smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000357138051 282090180 /nfs/dbraw/zinc/09/01/80/282090180.db2.gz NPTMIJFFPXGYHM-GOEBONIOSA-N 2 1 336.484 1.006 20 0 EDADMP CN(CCC[NH+](C)C)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000557664790 306232550 /nfs/dbraw/zinc/23/25/50/306232550.db2.gz NWRIMJMNVXSHSS-SFHVURJKSA-N 2 1 332.492 1.385 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC000154228447 530056563 /nfs/dbraw/zinc/05/65/63/530056563.db2.gz UGZJEIMZCQVSOO-KZNAEPCWSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154228447 530056564 /nfs/dbraw/zinc/05/65/64/530056564.db2.gz UGZJEIMZCQVSOO-KZNAEPCWSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154228447 530056565 /nfs/dbraw/zinc/05/65/65/530056565.db2.gz UGZJEIMZCQVSOO-KZNAEPCWSA-N 2 1 331.460 1.080 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000647009725 452002672 /nfs/dbraw/zinc/00/26/72/452002672.db2.gz IFLRIIUMTJWORK-SIRPWMCASA-N 2 1 325.497 1.706 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000561210225 306284787 /nfs/dbraw/zinc/28/47/87/306284787.db2.gz XRNMTUQHKJPYDV-KRWDZBQOSA-N 2 1 348.495 1.003 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000561210225 306284788 /nfs/dbraw/zinc/28/47/88/306284788.db2.gz XRNMTUQHKJPYDV-KRWDZBQOSA-N 2 1 348.495 1.003 20 0 EDADMP O=C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000339069561 539700315 /nfs/dbraw/zinc/70/03/15/539700315.db2.gz JRLFYDNNNXSATM-HKUYNNGSSA-N 2 1 342.487 1.552 20 0 EDADMP O=C(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000339069561 539700316 /nfs/dbraw/zinc/70/03/16/539700316.db2.gz JRLFYDNNNXSATM-HKUYNNGSSA-N 2 1 342.487 1.552 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000339344996 539707650 /nfs/dbraw/zinc/70/76/50/539707650.db2.gz FDKQMSRZQLSLPS-MRXNPFEDSA-N 2 1 325.497 1.556 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000339344996 539707657 /nfs/dbraw/zinc/70/76/57/539707657.db2.gz FDKQMSRZQLSLPS-MRXNPFEDSA-N 2 1 325.497 1.556 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000339344996 539707659 /nfs/dbraw/zinc/70/76/59/539707659.db2.gz FDKQMSRZQLSLPS-MRXNPFEDSA-N 2 1 325.497 1.556 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000342989719 539772393 /nfs/dbraw/zinc/77/23/93/539772393.db2.gz PKRKPIYPHXSKLM-JKSUJKDBSA-N 2 1 340.512 1.214 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N(CCCc2ccccc2)CC[NH+](C)C)[N@@H+](C)C1 ZINC000345203270 539825699 /nfs/dbraw/zinc/82/56/99/539825699.db2.gz CMNUYZGIGAHWQR-OALUTQOASA-N 2 1 347.503 1.729 20 0 EDADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1O ZINC000353412682 539932977 /nfs/dbraw/zinc/93/29/77/539932977.db2.gz MQLVPMBGTIIKOL-AWEZNQCLSA-N 2 1 349.475 1.994 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000562789162 306308973 /nfs/dbraw/zinc/30/89/73/306308973.db2.gz BOFMEJVIVBWMPH-IXDOHACOSA-N 2 1 338.496 1.269 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000562806953 306309765 /nfs/dbraw/zinc/30/97/65/306309765.db2.gz PIWIQVFRTLOECH-SFHVURJKSA-N 2 1 328.460 1.825 20 0 EDADMP COCCc1ccc(OC[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000562998803 306315204 /nfs/dbraw/zinc/31/52/04/306315204.db2.gz QLUTYJORMCXGII-IPQPSQTFSA-N 2 1 348.487 1.830 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000563559203 306338880 /nfs/dbraw/zinc/33/88/80/306338880.db2.gz LFAOCBKVTMECTC-HOTGVXAUSA-N 2 1 338.496 1.400 20 0 EDADMP CN(C)c1cccc(C[N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000089921962 138276078 /nfs/dbraw/zinc/27/60/78/138276078.db2.gz MWQPJCQLHSNZMV-UHFFFAOYSA-N 2 1 344.503 1.927 20 0 EDADMP CN(C)c1cccc(C[N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000089921962 138276079 /nfs/dbraw/zinc/27/60/79/138276079.db2.gz MWQPJCQLHSNZMV-UHFFFAOYSA-N 2 1 344.503 1.927 20 0 EDADMP O=C(NCCCC[NH+]1CCCC1)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000090524166 138279321 /nfs/dbraw/zinc/27/93/21/138279321.db2.gz JYWZSZKLBLWNIO-IRXDYDNUSA-N 2 1 338.496 1.415 20 0 EDADMP O=C(NCCCC[NH+]1CCCC1)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000090524166 138279322 /nfs/dbraw/zinc/27/93/22/138279322.db2.gz JYWZSZKLBLWNIO-IRXDYDNUSA-N 2 1 338.496 1.415 20 0 EDADMP CC[NH2+]CCCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563581181 306339707 /nfs/dbraw/zinc/33/97/07/306339707.db2.gz KMDAUEXHHMDBEX-WMZOPIPTSA-N 2 1 348.491 1.575 20 0 EDADMP CC[NH2+]CCCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563581181 306339708 /nfs/dbraw/zinc/33/97/08/306339708.db2.gz KMDAUEXHHMDBEX-WMZOPIPTSA-N 2 1 348.491 1.575 20 0 EDADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123532591 138319103 /nfs/dbraw/zinc/31/91/03/138319103.db2.gz FZIQXPZGFLUTAI-CHWSQXEVSA-N 2 1 333.436 1.051 20 0 EDADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123532591 138319104 /nfs/dbraw/zinc/31/91/04/138319104.db2.gz FZIQXPZGFLUTAI-CHWSQXEVSA-N 2 1 333.436 1.051 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123854695 138321768 /nfs/dbraw/zinc/32/17/68/138321768.db2.gz GLMKYBPHQQVXDL-UONOGXRCSA-N 2 1 349.479 1.687 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123854695 138321769 /nfs/dbraw/zinc/32/17/69/138321769.db2.gz GLMKYBPHQQVXDL-UONOGXRCSA-N 2 1 349.479 1.687 20 0 EDADMP CCOC[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125040051 138331613 /nfs/dbraw/zinc/33/16/13/138331613.db2.gz OFAGPSNJAZUCKE-MRXNPFEDSA-N 2 1 349.475 1.862 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000565074245 306374799 /nfs/dbraw/zinc/37/47/99/306374799.db2.gz QQPUXHBKXTYCKG-BFYDXBDKSA-N 2 1 348.491 1.760 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000414176163 304104326 /nfs/dbraw/zinc/10/43/26/304104326.db2.gz HETNHFUHEKYGLA-BZSNNMDCSA-N 2 1 337.508 1.330 20 0 EDADMP C[C@@]1(CNC(=O)NCC[N@@H+]2CCc3sccc3C2)CCC[NH2+]C1 ZINC000565705895 306389011 /nfs/dbraw/zinc/38/90/11/306389011.db2.gz QYIFXLDSVDHGMT-QGZVFWFLSA-N 2 1 336.505 1.795 20 0 EDADMP C[C@@]1(CNC(=O)NCC[N@H+]2CCc3sccc3C2)CCC[NH2+]C1 ZINC000565705895 306389012 /nfs/dbraw/zinc/38/90/12/306389012.db2.gz QYIFXLDSVDHGMT-QGZVFWFLSA-N 2 1 336.505 1.795 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000274791682 201272746 /nfs/dbraw/zinc/27/27/46/201272746.db2.gz CEUXJUFVVAZQPB-NZSAHSFTSA-N 2 1 328.460 1.744 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000414702212 304129686 /nfs/dbraw/zinc/12/96/86/304129686.db2.gz UVOXDDFRVWLNED-QYZOEREBSA-N 3 1 338.540 1.101 20 0 EDADMP CC(C)N1CCO[C@@H](CN2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000414702212 304129687 /nfs/dbraw/zinc/12/96/87/304129687.db2.gz UVOXDDFRVWLNED-QYZOEREBSA-N 2 1 338.540 1.101 20 0 EDADMP C[C@@H]1C[C@@H](C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC000414701195 304129695 /nfs/dbraw/zinc/12/96/95/304129695.db2.gz UFSXSWVLBCMBHC-AEFFLSMTSA-N 3 1 336.524 1.251 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000414830548 304145686 /nfs/dbraw/zinc/14/56/86/304145686.db2.gz OSZLFLHSXKBBHR-INIZCTEOSA-N 2 1 344.459 1.478 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ncccc1C ZINC000074106482 203280096 /nfs/dbraw/zinc/28/00/96/203280096.db2.gz UEEAXAGLNGPPPU-QGZVFWFLSA-N 2 1 347.507 1.948 20 0 EDADMP C[C@@H](CNC(=O)NCc1cccc(OCC[NH+](C)C)c1)[N@@H+](C)C1CC1 ZINC000105114080 204134345 /nfs/dbraw/zinc/13/43/45/204134345.db2.gz OEIFMNSNWPCKMS-HNNXBMFYSA-N 2 1 348.491 1.909 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000105191853 204138553 /nfs/dbraw/zinc/13/85/53/204138553.db2.gz GHJHBDUWJMITAV-CQSZACIVSA-N 2 1 333.436 1.016 20 0 EDADMP Cc1ccsc1C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415132103 304162624 /nfs/dbraw/zinc/16/26/24/304162624.db2.gz AEUNWTSZCYZOSW-CABCVRRESA-N 2 1 334.489 1.777 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000415139200 304163464 /nfs/dbraw/zinc/16/34/64/304163464.db2.gz LDELCUZXCPSLFS-QGZVFWFLSA-N 2 1 344.459 1.430 20 0 EDADMP CCCC[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000236757439 139030512 /nfs/dbraw/zinc/03/05/12/139030512.db2.gz BUFXEWICVUMQFH-SFHVURJKSA-N 2 1 332.492 1.785 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000236827178 139032770 /nfs/dbraw/zinc/03/27/70/139032770.db2.gz XJVDZQNZVGPVOY-UHFFFAOYSA-N 2 1 332.492 1.681 20 0 EDADMP CCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000236887020 139034333 /nfs/dbraw/zinc/03/43/33/139034333.db2.gz XSKFHUWRMNMOHZ-SFHVURJKSA-N 2 1 332.492 1.568 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000236889644 139034336 /nfs/dbraw/zinc/03/43/36/139034336.db2.gz ATTVNLMTJYOETH-OLZOCXBDSA-N 2 1 339.402 1.473 20 0 EDADMP COCC[NH2+]CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000237190482 139043469 /nfs/dbraw/zinc/04/34/69/139043469.db2.gz MMKRHFMSURZCQQ-MRXNPFEDSA-N 2 1 339.867 1.829 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])cc2)CC1 ZINC000237214167 139044650 /nfs/dbraw/zinc/04/46/50/139044650.db2.gz ZMLRQWRYQJDBDQ-RBUKOAKNSA-N 2 1 344.503 1.681 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CCC(C[NH3+])CC2)c2ccccc2)CC1 ZINC000237230261 139045056 /nfs/dbraw/zinc/04/50/56/139045056.db2.gz HPYDLIOIZCHRRK-SFHVURJKSA-N 2 1 330.476 1.172 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000125700316 205021797 /nfs/dbraw/zinc/02/17/97/205021797.db2.gz XTSIOZKTQQOYIG-YJBOKZPZSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[N@H+]1CCc2ccccc2C1 ZINC000237461958 139051838 /nfs/dbraw/zinc/05/18/38/139051838.db2.gz XENDYRZNSGAXOD-CRAIPNDOSA-N 2 1 327.472 1.939 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000158910241 205380684 /nfs/dbraw/zinc/38/06/84/205380684.db2.gz QCRBWJCBUIFSPE-OAHLLOKOSA-N 2 1 331.526 1.512 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H](C)O1 ZINC000237595947 139055155 /nfs/dbraw/zinc/05/51/55/139055155.db2.gz QEMYSHWYYWSLFH-QEOTZNIISA-N 2 1 337.508 1.911 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H](C)O1 ZINC000237595947 139055156 /nfs/dbraw/zinc/05/51/56/139055156.db2.gz QEMYSHWYYWSLFH-QEOTZNIISA-N 2 1 337.508 1.911 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237669350 139057542 /nfs/dbraw/zinc/05/75/42/139057542.db2.gz JAPKQYAQJYEOJS-OAHLLOKOSA-N 2 1 348.495 1.587 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000237674042 139057706 /nfs/dbraw/zinc/05/77/06/139057706.db2.gz BWJMMTNTPUQSEL-YJBOKZPZSA-N 2 1 331.460 1.523 20 0 EDADMP O=C(CCC1CC[NH2+]CC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000237961459 139065121 /nfs/dbraw/zinc/06/51/21/139065121.db2.gz JWTGMZFNYKLWPU-UHFFFAOYSA-N 2 1 345.487 1.915 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000111797277 220191800 /nfs/dbraw/zinc/19/18/00/220191800.db2.gz MVBBSEKVSZDTFM-MRXNPFEDSA-N 2 1 326.485 1.269 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000111834883 220201617 /nfs/dbraw/zinc/20/16/17/220201617.db2.gz POSPWXAEJJHIHT-QGZVFWFLSA-N 2 1 340.512 1.472 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H](C)C(C)C ZINC000343528558 284398604 /nfs/dbraw/zinc/39/86/04/284398604.db2.gz SPPYNWGPKOVUAZ-IAGOWNOFSA-N 2 1 327.513 1.826 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H](C)C(C)C ZINC000343528558 284398610 /nfs/dbraw/zinc/39/86/10/284398610.db2.gz SPPYNWGPKOVUAZ-IAGOWNOFSA-N 2 1 327.513 1.826 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H](C)C(C)C ZINC000343528558 284398615 /nfs/dbraw/zinc/39/86/15/284398615.db2.gz SPPYNWGPKOVUAZ-IAGOWNOFSA-N 2 1 327.513 1.826 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000238130813 139069346 /nfs/dbraw/zinc/06/93/46/139069346.db2.gz MZSSXBTYTMZWAL-DFNIBXOVSA-N 2 1 342.487 1.203 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415239457 304177725 /nfs/dbraw/zinc/17/77/25/304177725.db2.gz OLWQDIMMECIGCB-CQSZACIVSA-N 2 1 334.464 1.581 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000245505212 139077131 /nfs/dbraw/zinc/07/71/31/139077131.db2.gz FTAKESWFPSLMSJ-CVEARBPZSA-N 2 1 331.464 1.691 20 0 EDADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415251047 304179047 /nfs/dbraw/zinc/17/90/47/304179047.db2.gz HZRFAQYNGMXPKP-OAHLLOKOSA-N 2 1 332.448 1.287 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415251047 304179049 /nfs/dbraw/zinc/17/90/49/304179049.db2.gz HZRFAQYNGMXPKP-OAHLLOKOSA-N 2 1 332.448 1.287 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)[C@H](C)c2ccccn2)C1 ZINC000245691682 139083251 /nfs/dbraw/zinc/08/32/51/139083251.db2.gz LVTNHMCUQFVPEB-IAGOWNOFSA-N 2 1 348.491 1.547 20 0 EDADMP CC(C)CN1CCO[C@H](CNC(=O)CN(C)[C@H](C)c2ccccn2)C1 ZINC000245691682 139083252 /nfs/dbraw/zinc/08/32/52/139083252.db2.gz LVTNHMCUQFVPEB-IAGOWNOFSA-N 2 1 348.491 1.547 20 0 EDADMP CN(CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1C(F)(F)F ZINC000157385538 206133366 /nfs/dbraw/zinc/13/33/66/206133366.db2.gz LATBIQXRNCIVSQ-UHFFFAOYSA-N 2 1 329.366 1.911 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000245942307 139090762 /nfs/dbraw/zinc/09/07/62/139090762.db2.gz KAEWLVRSPUFJRX-WMZOPIPTSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000245980955 139091496 /nfs/dbraw/zinc/09/14/96/139091496.db2.gz GTNMQOFTTCEUPS-AEGPPILISA-N 2 1 325.478 1.857 20 0 EDADMP COc1cccc(COC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246921788 139127020 /nfs/dbraw/zinc/12/70/20/139127020.db2.gz MWLSSOKIGMJWRN-OALUTQOASA-N 2 1 348.487 1.990 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247032783 139132385 /nfs/dbraw/zinc/13/23/85/139132385.db2.gz GJFCALIHOFSLRE-NCOADZHNSA-N 2 1 325.497 1.530 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000247068502 139134140 /nfs/dbraw/zinc/13/41/40/139134140.db2.gz WLUJSKXXDXTOAR-BMGDILEWSA-N 2 1 349.475 1.799 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247068502 139134141 /nfs/dbraw/zinc/13/41/41/139134141.db2.gz WLUJSKXXDXTOAR-BMGDILEWSA-N 2 1 349.475 1.799 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247068502 139134142 /nfs/dbraw/zinc/13/41/42/139134142.db2.gz WLUJSKXXDXTOAR-BMGDILEWSA-N 2 1 349.475 1.799 20 0 EDADMP CC[NH+](CC)CCCNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000351581541 284603069 /nfs/dbraw/zinc/60/30/69/284603069.db2.gz HUYQOINCPBIUAV-ZACQAIPSSA-N 2 1 327.513 1.968 20 0 EDADMP OCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000248400203 139162165 /nfs/dbraw/zinc/16/21/65/139162165.db2.gz KREKNQSFSPUVIG-GUDVDZBRSA-N 2 1 330.472 1.886 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCO[C@H]3CCCCO3)C2)CC1 ZINC000248838289 139177137 /nfs/dbraw/zinc/17/71/37/139177137.db2.gz PHIXFZBVSTYWTJ-MSOLQXFVSA-N 2 1 325.497 1.632 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCO[C@H]3CCCCO3)C2)CC1 ZINC000248838289 139177138 /nfs/dbraw/zinc/17/71/38/139177138.db2.gz PHIXFZBVSTYWTJ-MSOLQXFVSA-N 2 1 325.497 1.632 20 0 EDADMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C[NH+]1CCCC1 ZINC000249177287 139188643 /nfs/dbraw/zinc/18/86/43/139188643.db2.gz ZTECGWAUJFJZMN-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP [NH3+][C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000261743229 139222382 /nfs/dbraw/zinc/22/23/82/139222382.db2.gz KQCKQOHNWGYIHV-ROUUACIJSA-N 2 1 331.460 1.521 20 0 EDADMP C[NH2+][C@H](C)Cc1noc(-c2cccc(C[NH+]3CCN(C)CC3)c2)n1 ZINC000261816110 139228530 /nfs/dbraw/zinc/22/85/30/139228530.db2.gz QEJUJDBROCSQHH-CQSZACIVSA-N 2 1 329.448 1.634 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)cs1 ZINC000237721653 183806401 /nfs/dbraw/zinc/80/64/01/183806401.db2.gz RIKRGVZRESJIQL-HZPDHXFCSA-N 2 1 336.505 1.907 20 0 EDADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000262074422 139248701 /nfs/dbraw/zinc/24/87/01/139248701.db2.gz DANQWUREBQTMTJ-LBPRGKRZSA-N 2 1 325.840 1.636 20 0 EDADMP Fc1cccc(N2CCCC2)c1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262148942 139255292 /nfs/dbraw/zinc/25/52/92/139255292.db2.gz QWJPSFVFBBCZMB-MRXNPFEDSA-N 2 1 332.467 1.905 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000416831325 251112030 /nfs/dbraw/zinc/11/20/30/251112030.db2.gz AXSUVXQAEUTYIM-IEBWSBKVSA-N 2 1 328.460 1.656 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](CCOc2ccccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000262297536 139267680 /nfs/dbraw/zinc/26/76/80/139267680.db2.gz WZAVURFDPYURML-DOTOQJQBSA-N 2 1 349.450 1.785 20 0 EDADMP CO[C@H]1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000417009159 251128617 /nfs/dbraw/zinc/12/86/17/251128617.db2.gz MYLLAKZVUPZEJB-MSOLQXFVSA-N 2 1 346.475 1.192 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417026647 251139397 /nfs/dbraw/zinc/13/93/97/251139397.db2.gz NQIFYKSBRXAFQN-GOSISDBHSA-N 2 1 330.476 1.828 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417172364 251145430 /nfs/dbraw/zinc/14/54/30/251145430.db2.gz HOEBUJOGSWUPFX-MRXNPFEDSA-N 2 1 348.491 1.836 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C2(C[NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000262376838 139274302 /nfs/dbraw/zinc/27/43/02/139274302.db2.gz WQHRHBQIKOWZPP-WMZOPIPTSA-N 2 1 345.487 1.911 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000417600369 251203889 /nfs/dbraw/zinc/20/38/89/251203889.db2.gz GEQPIGFZQAKEDJ-OAHLLOKOSA-N 2 1 337.468 1.540 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000417587887 251200462 /nfs/dbraw/zinc/20/04/62/251200462.db2.gz SSQMXDJYPRFBBK-INIZCTEOSA-N 2 1 339.528 1.091 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000262392574 139275773 /nfs/dbraw/zinc/27/57/73/139275773.db2.gz OKFGDGCANCOBKB-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[C@H](C)C1 ZINC000417666598 251219679 /nfs/dbraw/zinc/21/96/79/251219679.db2.gz DJYDWBWGZPRTCH-UGUYLWEFSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)C[NH+]1CCOCC1 ZINC000417727118 251245038 /nfs/dbraw/zinc/24/50/38/251245038.db2.gz NMPATIJTBKACBD-CABCVRRESA-N 2 1 334.464 1.474 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000417726930 251245227 /nfs/dbraw/zinc/24/52/27/251245227.db2.gz IJHKKUJJXUJYLD-SOLBZPMBSA-N 2 1 345.491 1.328 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418103026 251323197 /nfs/dbraw/zinc/32/31/97/251323197.db2.gz IFQKGJQRAFNZHM-QZTJIDSGSA-N 2 1 330.476 1.950 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418434099 251370532 /nfs/dbraw/zinc/37/05/32/251370532.db2.gz VEQMNLVFBMETBF-QAPCUYQASA-N 2 1 346.475 1.581 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000418434185 251370583 /nfs/dbraw/zinc/37/05/83/251370583.db2.gz DWUVAZPNZYSXPH-CABCVRRESA-N 2 1 326.485 1.255 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000418135078 251339164 /nfs/dbraw/zinc/33/91/64/251339164.db2.gz HIRXSGHTLDFUBE-WMZOPIPTSA-N 2 1 330.476 1.887 20 0 EDADMP COCC[NH2+]CCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000418138538 251341040 /nfs/dbraw/zinc/34/10/40/251341040.db2.gz GJTSILQSJOHPFA-INIZCTEOSA-N 2 1 326.485 1.319 20 0 EDADMP Cc1cc(CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000418196998 251355345 /nfs/dbraw/zinc/35/53/45/251355345.db2.gz IPGAUNHOSZYDKS-GOEBONIOSA-N 2 1 331.464 1.869 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418626042 251381222 /nfs/dbraw/zinc/38/12/22/251381222.db2.gz KQFTXYJBTGZRKN-RDJZCZTQSA-N 2 1 333.480 1.685 20 0 EDADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000262606351 139289601 /nfs/dbraw/zinc/28/96/01/139289601.db2.gz ATVLSFJLHZWCSF-CRAIPNDOSA-N 2 1 331.460 1.707 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000262641309 139292451 /nfs/dbraw/zinc/29/24/51/139292451.db2.gz KPZFINNTMXFIHI-SFHVURJKSA-N 2 1 332.492 1.090 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000262669018 139294914 /nfs/dbraw/zinc/29/49/14/139294914.db2.gz QSWYEIGAJFACDU-QAPCUYQASA-N 2 1 332.448 1.592 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000262696807 139297008 /nfs/dbraw/zinc/29/70/08/139297008.db2.gz BFYZDCPWXREVFF-JKSUJKDBSA-N 2 1 333.480 1.612 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422875020 252008173 /nfs/dbraw/zinc/00/81/73/252008173.db2.gz BHLOAUGWCIDKTM-KURKYZTESA-N 2 1 330.476 1.664 20 0 EDADMP COc1cccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423004932 252024227 /nfs/dbraw/zinc/02/42/27/252024227.db2.gz QISGKTUIVWWLJT-GUDVDZBRSA-N 2 1 334.460 1.959 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000423322204 252046506 /nfs/dbraw/zinc/04/65/06/252046506.db2.gz NVPIVBLELDQFQE-PVAVHDDUSA-N 2 1 327.513 1.859 20 0 EDADMP CC[C@@]1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000424022433 252116090 /nfs/dbraw/zinc/11/60/90/252116090.db2.gz UFGUZBRUAWOCQF-FQEVSTJZSA-N 2 1 344.503 1.628 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424139878 252139785 /nfs/dbraw/zinc/13/97/85/252139785.db2.gz VSOZOKDYPMFXFX-HOTGVXAUSA-N 2 1 348.495 1.587 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424144554 252142174 /nfs/dbraw/zinc/14/21/74/252142174.db2.gz LRVAONNQABLAFJ-JKSUJKDBSA-N 2 1 347.507 1.595 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000424217012 252165734 /nfs/dbraw/zinc/16/57/34/252165734.db2.gz JZVLKAMDKFFCLF-RDJZCZTQSA-N 2 1 333.476 1.892 20 0 EDADMP [NH3+][C@@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1CCOCC1 ZINC000424218787 252166772 /nfs/dbraw/zinc/16/67/72/252166772.db2.gz XBIMFPKUSORBFQ-IPMKNSEASA-N 2 1 343.471 1.473 20 0 EDADMP COC(=O)CCCc1nc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)no1 ZINC000424298178 252191843 /nfs/dbraw/zinc/19/18/43/252191843.db2.gz UAUXBFJIYADLGL-CYBMUJFWSA-N 2 1 336.436 1.529 20 0 EDADMP COC(=O)CCCc1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)no1 ZINC000424298178 252191848 /nfs/dbraw/zinc/19/18/48/252191848.db2.gz UAUXBFJIYADLGL-CYBMUJFWSA-N 2 1 336.436 1.529 20 0 EDADMP COC(=O)CC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000424308697 252194506 /nfs/dbraw/zinc/19/45/06/252194506.db2.gz HAAPQUGKSATHEW-JWHDQAAXSA-N 2 1 346.471 1.801 20 0 EDADMP COC(=O)CC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000424308697 252194508 /nfs/dbraw/zinc/19/45/08/252194508.db2.gz HAAPQUGKSATHEW-JWHDQAAXSA-N 2 1 346.471 1.801 20 0 EDADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424471917 252242207 /nfs/dbraw/zinc/24/22/07/252242207.db2.gz DMIPICLIBWNVIW-GDAAHCPNSA-N 2 1 342.487 1.900 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424441289 252233661 /nfs/dbraw/zinc/23/36/61/252233661.db2.gz WRCDISCLBGFKDB-INIZCTEOSA-N 2 1 347.507 1.849 20 0 EDADMP C[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000178571786 207501789 /nfs/dbraw/zinc/50/17/89/207501789.db2.gz PVZQQCYDBYCPNK-GJZGRUSLSA-N 2 1 334.439 1.143 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000263241573 139330578 /nfs/dbraw/zinc/33/05/78/139330578.db2.gz GLHLKOHPTVJEAR-KURKYZTESA-N 2 1 336.524 1.297 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000263761333 139358489 /nfs/dbraw/zinc/35/84/89/139358489.db2.gz KZOSMSHOYXNFHX-QGZVFWFLSA-N 2 1 336.480 1.037 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000263773657 139359445 /nfs/dbraw/zinc/35/94/45/139359445.db2.gz NLFYKDDLOICRIW-CQSZACIVSA-N 2 1 328.482 1.228 20 0 EDADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000487827207 255037061 /nfs/dbraw/zinc/03/70/61/255037061.db2.gz ZAHZWMGOOYPBRT-DFGXFYAUSA-N 2 1 334.508 1.842 20 0 EDADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000487827207 255037063 /nfs/dbraw/zinc/03/70/63/255037063.db2.gz ZAHZWMGOOYPBRT-DFGXFYAUSA-N 2 1 334.508 1.842 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCSC1 ZINC000361916396 285245274 /nfs/dbraw/zinc/24/52/74/285245274.db2.gz QCCCVTUGOCZDJH-HZPDHXFCSA-N 2 1 342.553 1.940 20 0 EDADMP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](C)[NH3+] ZINC000493991408 255230250 /nfs/dbraw/zinc/23/02/50/255230250.db2.gz HLHFQLUJYJTYIG-CVEARBPZSA-N 3 1 338.540 1.624 20 0 EDADMP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000103534599 285381516 /nfs/dbraw/zinc/38/15/16/285381516.db2.gz GRRNXCJIYLLYSV-YYIAUSFCSA-N 2 1 325.497 1.578 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000103534599 285381517 /nfs/dbraw/zinc/38/15/17/285381517.db2.gz GRRNXCJIYLLYSV-YYIAUSFCSA-N 2 1 325.497 1.578 20 0 EDADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000103534599 285381518 /nfs/dbraw/zinc/38/15/18/285381518.db2.gz GRRNXCJIYLLYSV-YYIAUSFCSA-N 2 1 325.497 1.578 20 0 EDADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000103534599 285381519 /nfs/dbraw/zinc/38/15/19/285381519.db2.gz GRRNXCJIYLLYSV-YYIAUSFCSA-N 2 1 325.497 1.578 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000355351906 285379164 /nfs/dbraw/zinc/37/91/64/285379164.db2.gz UVYLKQHGOPRVPY-MSOLQXFVSA-N 2 1 331.460 1.683 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000415935881 304286219 /nfs/dbraw/zinc/28/62/19/304286219.db2.gz UHKVLIWHCNJUOV-UHFFFAOYSA-N 2 1 333.480 1.554 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC000416055416 304287657 /nfs/dbraw/zinc/28/76/57/304287657.db2.gz XHBJZTRRVMWCTM-YPMHNXCESA-N 2 1 336.402 1.782 20 0 EDADMP C[NH+](C)[C@H](CC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000416238056 304298820 /nfs/dbraw/zinc/29/88/20/304298820.db2.gz GTBLBAQNGJXLFR-ZWKOTPCHSA-N 2 1 333.476 1.642 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)NC[C@H]1CCCC[N@H+]1CCO)c1ccccc1 ZINC000416244434 304300031 /nfs/dbraw/zinc/30/00/31/304300031.db2.gz VVKNUVPMBCEMEJ-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000272083127 140397858 /nfs/dbraw/zinc/39/78/58/140397858.db2.gz LXIYFOYCMDHDJV-SFHVURJKSA-N 2 1 328.460 1.822 20 0 EDADMP C[NH+]1CC=C(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272083127 140397859 /nfs/dbraw/zinc/39/78/59/140397859.db2.gz LXIYFOYCMDHDJV-SFHVURJKSA-N 2 1 328.460 1.822 20 0 EDADMP C[NH+]1CC=C(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272083127 140397861 /nfs/dbraw/zinc/39/78/61/140397861.db2.gz LXIYFOYCMDHDJV-SFHVURJKSA-N 2 1 328.460 1.822 20 0 EDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC[NH2+]1 ZINC000331813348 141083860 /nfs/dbraw/zinc/08/38/60/141083860.db2.gz UCAROQCYERHGLD-HLLBOEOZSA-N 2 1 343.537 1.701 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000332061541 141116603 /nfs/dbraw/zinc/11/66/03/141116603.db2.gz YFAGUBVLTUNWBO-RKVPGOIHSA-N 2 1 330.476 1.812 20 0 EDADMP O[C@H](CN1CCOCC1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333005759 141249300 /nfs/dbraw/zinc/24/93/00/141249300.db2.gz DVVNZUQRDIRMEW-SFHVURJKSA-N 2 1 348.491 1.092 20 0 EDADMP O[C@H](Cn1cccn1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333019031 141251163 /nfs/dbraw/zinc/25/11/63/141251163.db2.gz HXFMJWABSIXFJN-KRWDZBQOSA-N 2 1 329.448 1.656 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C[C@@H](C)O1 ZINC000333350084 141303784 /nfs/dbraw/zinc/30/37/84/141303784.db2.gz JJXOSOWXCCICCH-LJIZCISZSA-N 2 1 338.496 1.253 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000333442180 141317626 /nfs/dbraw/zinc/31/76/26/141317626.db2.gz WGIFXXYIQRZLOF-BVPBIZIASA-N 2 1 328.460 1.605 20 0 EDADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333687075 141357950 /nfs/dbraw/zinc/35/79/50/141357950.db2.gz PJMXUKXWENRQBR-SJLPKXTDSA-N 2 1 345.491 1.830 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000333786885 141381562 /nfs/dbraw/zinc/38/15/62/141381562.db2.gz LUMIHRRVDJMQLH-GASCZTMLSA-N 2 1 338.496 1.269 20 0 EDADMP Cn1ccnc1CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000339911113 142197446 /nfs/dbraw/zinc/19/74/46/142197446.db2.gz CQSOBWDBGRMIRP-MNOVXSKESA-N 2 1 332.370 1.945 20 0 EDADMP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCC[N@H+]1C ZINC000345324007 143077998 /nfs/dbraw/zinc/07/79/98/143077998.db2.gz QKZQGWNJILSEBM-IRXDYDNUSA-N 2 1 345.491 1.193 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC000345752199 143128944 /nfs/dbraw/zinc/12/89/44/143128944.db2.gz FOUIHGPAMFAQRD-IXDOHACOSA-N 2 1 340.512 1.467 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC000345752199 143128945 /nfs/dbraw/zinc/12/89/45/143128945.db2.gz FOUIHGPAMFAQRD-IXDOHACOSA-N 2 1 340.512 1.467 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCC[NH+]2CCOC)C[C@H]1C ZINC000345785560 143133171 /nfs/dbraw/zinc/13/31/71/143133171.db2.gz PZEPRDDVVZSNTJ-PMPSAXMXSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C[C@H]1C ZINC000345785560 143133172 /nfs/dbraw/zinc/13/31/72/143133172.db2.gz PZEPRDDVVZSNTJ-PMPSAXMXSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)C[C@H]1C ZINC000345785560 143133173 /nfs/dbraw/zinc/13/31/73/143133173.db2.gz PZEPRDDVVZSNTJ-PMPSAXMXSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H]1[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000345788142 143133682 /nfs/dbraw/zinc/13/36/82/143133682.db2.gz RGJCRTJWSPMFGU-JKSUJKDBSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H]1[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCC[N@H+]1C ZINC000345788142 143133683 /nfs/dbraw/zinc/13/36/83/143133683.db2.gz RGJCRTJWSPMFGU-JKSUJKDBSA-N 2 1 340.512 1.469 20 0 EDADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000346378132 143198496 /nfs/dbraw/zinc/19/84/96/143198496.db2.gz KUQGLPCWLXTOMB-HKUYNNGSSA-N 2 1 349.519 1.964 20 0 EDADMP CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000346670327 143229396 /nfs/dbraw/zinc/22/93/96/143229396.db2.gz OFQOEUDIUOQPNJ-ZWKOTPCHSA-N 2 1 347.507 1.912 20 0 EDADMP CO[C@@H]1CCN(Cc2nc3c(s2)C[N@H+](C(C)C)CC3)[C@@H](C[NH3+])C1 ZINC000346822110 143249097 /nfs/dbraw/zinc/24/90/97/143249097.db2.gz LQAXCHWJFRWCEB-ZIAGYGMSSA-N 2 1 338.521 1.848 20 0 EDADMP CNC(=O)[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC000346862174 143252861 /nfs/dbraw/zinc/25/28/61/143252861.db2.gz BRKSXBHXODXIHA-DLBZAZTESA-N 2 1 344.463 1.167 20 0 EDADMP CNC(=O)[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC000346862174 143252862 /nfs/dbraw/zinc/25/28/62/143252862.db2.gz BRKSXBHXODXIHA-DLBZAZTESA-N 2 1 344.463 1.167 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000346960487 143266325 /nfs/dbraw/zinc/26/63/25/143266325.db2.gz HUIZSHWURBNNRQ-HUUCEWRRSA-N 2 1 325.497 1.865 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000347978999 143386785 /nfs/dbraw/zinc/38/67/85/143386785.db2.gz QOXAYGNZNZXCEX-JKSUJKDBSA-N 2 1 340.512 1.163 20 0 EDADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261873220 292169092 /nfs/dbraw/zinc/16/90/92/292169092.db2.gz DJAJXLTYOQNICB-KZNAEPCWSA-N 2 1 339.524 1.623 20 0 EDADMP C[NH+]1CCC([NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000369851260 155202680 /nfs/dbraw/zinc/20/26/80/155202680.db2.gz IZMBEPAAJULVHY-CQSZACIVSA-N 2 1 329.452 1.025 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N(C)CC(C)(C)C[NH3+])[C@H](C)C1 ZINC000417668594 286058055 /nfs/dbraw/zinc/05/80/55/286058055.db2.gz JSOKJYCRPPFQQT-HZPDHXFCSA-N 2 1 342.528 1.750 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](C)CC2)[C@@H](C)C1 ZINC000360979325 286060283 /nfs/dbraw/zinc/06/02/83/286060283.db2.gz SUKBVBZASORSNF-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](C)CC2)[C@@H](C)C1 ZINC000360979325 286060285 /nfs/dbraw/zinc/06/02/85/286060285.db2.gz SUKBVBZASORSNF-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](C)CC2)[C@@H](C)C1 ZINC000360979325 286060286 /nfs/dbraw/zinc/06/02/86/286060286.db2.gz SUKBVBZASORSNF-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000369880608 155217145 /nfs/dbraw/zinc/21/71/45/155217145.db2.gz BRRDSVFJIHVPLO-HIFRSBDPSA-N 2 1 348.472 1.799 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCSCC1)C[NH+]1CCCCC1 ZINC000352678766 149114217 /nfs/dbraw/zinc/11/42/17/149114217.db2.gz PXOYKRAZMSXOBQ-HNNXBMFYSA-N 2 1 328.526 1.456 20 0 EDADMP CC1(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)COC1 ZINC000352884392 149203061 /nfs/dbraw/zinc/20/30/61/149203061.db2.gz AHOQXMVYAMWQQE-LJQANCHMSA-N 2 1 329.488 1.915 20 0 EDADMP COCC[NH+](CCOC)C1CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000353008491 149251276 /nfs/dbraw/zinc/25/12/76/149251276.db2.gz NHCCHYGSZJYLMH-IRXDYDNUSA-N 2 1 328.497 1.861 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CC[C@@H]([NH2+]C)C1)[NH+]1CCOCC1 ZINC000416964603 304356265 /nfs/dbraw/zinc/35/62/65/304356265.db2.gz WDQCSJZHEUPBSV-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NCCCC[NH3+])cc2)C[C@H](C)O1 ZINC000416974944 304358897 /nfs/dbraw/zinc/35/88/97/304358897.db2.gz YFGGTCAEYXSSKL-IYBDPMFKSA-N 2 1 348.491 1.834 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354928909 150036572 /nfs/dbraw/zinc/03/65/72/150036572.db2.gz GOVLZFBBBRTLQN-RBUKOAKNSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354928909 150036576 /nfs/dbraw/zinc/03/65/76/150036576.db2.gz GOVLZFBBBRTLQN-RBUKOAKNSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000354928909 150036580 /nfs/dbraw/zinc/03/65/80/150036580.db2.gz GOVLZFBBBRTLQN-RBUKOAKNSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000354928909 150036585 /nfs/dbraw/zinc/03/65/85/150036585.db2.gz GOVLZFBBBRTLQN-RBUKOAKNSA-N 2 1 345.487 1.829 20 0 EDADMP Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355251708 150185554 /nfs/dbraw/zinc/18/55/54/150185554.db2.gz HRIZOASDIDBTQP-SFHVURJKSA-N 2 1 330.476 1.905 20 0 EDADMP Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355251708 150185557 /nfs/dbraw/zinc/18/55/57/150185557.db2.gz HRIZOASDIDBTQP-SFHVURJKSA-N 2 1 330.476 1.905 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCCCC2)C1 ZINC000355730767 150378426 /nfs/dbraw/zinc/37/84/26/150378426.db2.gz GPLAVQLTXMBULH-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417044277 304365586 /nfs/dbraw/zinc/36/55/86/304365586.db2.gz QBNIIXAZIFWPKB-HOTGVXAUSA-N 2 1 333.480 1.234 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)CCN1CCOCC1)c1ccccc1 ZINC000358034056 151242053 /nfs/dbraw/zinc/24/20/53/151242053.db2.gz YHQBOFXVMKQXHD-WMZOPIPTSA-N 2 1 333.476 1.906 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000358148446 151288775 /nfs/dbraw/zinc/28/87/75/151288775.db2.gz YDLUREBHDPJONF-CABCVRRESA-N 2 1 328.501 1.202 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000358148446 151288776 /nfs/dbraw/zinc/28/87/76/151288776.db2.gz YDLUREBHDPJONF-CABCVRRESA-N 2 1 328.501 1.202 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000358148446 151288780 /nfs/dbraw/zinc/28/87/80/151288780.db2.gz YDLUREBHDPJONF-CABCVRRESA-N 2 1 328.501 1.202 20 0 EDADMP COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)ccc1OCC(F)(F)F ZINC000358154613 151289113 /nfs/dbraw/zinc/28/91/13/151289113.db2.gz DSJIGTZZKKPJCK-HNNXBMFYSA-N 2 1 348.365 1.793 20 0 EDADMP COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)ccc1OCC(F)(F)F ZINC000358154613 151289116 /nfs/dbraw/zinc/28/91/16/151289116.db2.gz DSJIGTZZKKPJCK-HNNXBMFYSA-N 2 1 348.365 1.793 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000358341477 151342822 /nfs/dbraw/zinc/34/28/22/151342822.db2.gz NWOQVWRJUQEASD-QWHCGFSZSA-N 2 1 331.507 1.298 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)C[C@H]1C[C@H](OC)C[N@H+]1C ZINC000358447178 151379277 /nfs/dbraw/zinc/37/92/77/151379277.db2.gz ZARDVRFQLWJRHE-XHSDSOJGSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)[N@@H+]1CCc2sccc2C1 ZINC000417107283 304372923 /nfs/dbraw/zinc/37/29/23/304372923.db2.gz IIPVGLCYRCIZFR-PWSUYJOCSA-N 2 1 346.447 1.776 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)[N@H+]1CCc2sccc2C1 ZINC000417107283 304372925 /nfs/dbraw/zinc/37/29/25/304372925.db2.gz IIPVGLCYRCIZFR-PWSUYJOCSA-N 2 1 346.447 1.776 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000417118185 304374255 /nfs/dbraw/zinc/37/42/55/304374255.db2.gz RJCAMKSSBDTVCB-QGZVFWFLSA-N 2 1 334.464 1.186 20 0 EDADMP CSC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000360687072 152152953 /nfs/dbraw/zinc/15/29/53/152152953.db2.gz ABVLFBFVCONXFT-GJZGRUSLSA-N 2 1 342.553 1.938 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC([NH+](C)CCO)CC1 ZINC000360782257 152203107 /nfs/dbraw/zinc/20/31/07/152203107.db2.gz CCPOJSYVWBXGMT-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000360782257 152203109 /nfs/dbraw/zinc/20/31/09/152203109.db2.gz CCPOJSYVWBXGMT-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000360782257 152203111 /nfs/dbraw/zinc/20/31/11/152203111.db2.gz CCPOJSYVWBXGMT-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000360884730 152241077 /nfs/dbraw/zinc/24/10/77/152241077.db2.gz LIQLWZNKADJRQX-HZPDHXFCSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000360884730 152241079 /nfs/dbraw/zinc/24/10/79/152241079.db2.gz LIQLWZNKADJRQX-HZPDHXFCSA-N 2 1 328.501 1.205 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000361000119 152274430 /nfs/dbraw/zinc/27/44/30/152274430.db2.gz YAMCBOJRGORYHP-IEBWSBKVSA-N 2 1 344.503 1.261 20 0 EDADMP [NH3+]CCCNC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417166183 304380102 /nfs/dbraw/zinc/38/01/02/304380102.db2.gz YZIIEORHKVRFRS-UHFFFAOYSA-N 2 1 347.507 1.232 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCN1C(=O)CCC1=O ZINC000370190880 155369395 /nfs/dbraw/zinc/36/93/95/155369395.db2.gz JYVOAJIEQOLQJU-FUHWJXTLSA-N 2 1 343.471 1.978 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCN1C(=O)CCC1=O ZINC000370190880 155369399 /nfs/dbraw/zinc/36/93/99/155369399.db2.gz JYVOAJIEQOLQJU-FUHWJXTLSA-N 2 1 343.471 1.978 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCN1C(=O)CCC1=O ZINC000370190880 155369400 /nfs/dbraw/zinc/36/94/00/155369400.db2.gz JYVOAJIEQOLQJU-FUHWJXTLSA-N 2 1 343.471 1.978 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCN1C(=O)CCC1=O ZINC000370190880 155369402 /nfs/dbraw/zinc/36/94/02/155369402.db2.gz JYVOAJIEQOLQJU-FUHWJXTLSA-N 2 1 343.471 1.978 20 0 EDADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000417218405 304385634 /nfs/dbraw/zinc/38/56/34/304385634.db2.gz GPMJZWMYYXQRSH-JSGCOSHPSA-N 2 1 326.391 1.715 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000417218405 304385635 /nfs/dbraw/zinc/38/56/35/304385635.db2.gz GPMJZWMYYXQRSH-JSGCOSHPSA-N 2 1 326.391 1.715 20 0 EDADMP CN(CCC[N@@H+](C)Cc1cc(-c2cccnc2)n[nH]1)CC[NH+](C)C ZINC000367663466 154220387 /nfs/dbraw/zinc/22/03/87/154220387.db2.gz FVMGCWICWRYLCE-UHFFFAOYSA-N 2 1 330.480 1.787 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417361153 304394786 /nfs/dbraw/zinc/39/47/86/304394786.db2.gz IPANSXMMLXTTRS-HRCADAONSA-N 2 1 348.516 1.821 20 0 EDADMP C[N@H+](CCN1C(=O)c2ccccc2C1=O)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369610412 155109013 /nfs/dbraw/zinc/10/90/13/155109013.db2.gz BAQGVVSBVGFEMW-CQSZACIVSA-N 2 1 338.411 1.674 20 0 EDADMP C[N@@H+](CCN1C(=O)c2ccccc2C1=O)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369610412 155109015 /nfs/dbraw/zinc/10/90/15/155109015.db2.gz BAQGVVSBVGFEMW-CQSZACIVSA-N 2 1 338.411 1.674 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@]2(COC)CCC[NH2+]2)c1 ZINC000417395536 304396454 /nfs/dbraw/zinc/39/64/54/304396454.db2.gz FGHLVVHOEGMBOT-LJQANCHMSA-N 2 1 348.491 1.706 20 0 EDADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000371942288 156175391 /nfs/dbraw/zinc/17/53/91/156175391.db2.gz DPPDMBFQNGADIO-SFHVURJKSA-N 2 1 347.507 1.854 20 0 EDADMP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000371942288 156175394 /nfs/dbraw/zinc/17/53/94/156175394.db2.gz DPPDMBFQNGADIO-SFHVURJKSA-N 2 1 347.507 1.854 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CN2CCN(Cc3cnoc3C3CC3)CC2)C1 ZINC000372256936 156291650 /nfs/dbraw/zinc/29/16/50/156291650.db2.gz WMPTVGAKFZLQSX-QGZVFWFLSA-N 2 1 334.464 1.390 20 0 EDADMP CC[N@H+]1CCO[C@@H](CN2CCN(Cc3cnoc3C3CC3)CC2)C1 ZINC000372256936 156291654 /nfs/dbraw/zinc/29/16/54/156291654.db2.gz WMPTVGAKFZLQSX-QGZVFWFLSA-N 2 1 334.464 1.390 20 0 EDADMP CSC[C@H](O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000372302113 156321222 /nfs/dbraw/zinc/32/12/22/156321222.db2.gz QPHHFGZKBYODJH-GOSISDBHSA-N 3 1 343.581 1.838 20 0 EDADMP CSC[C@H](O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372302113 156321229 /nfs/dbraw/zinc/32/12/29/156321229.db2.gz QPHHFGZKBYODJH-GOSISDBHSA-N 3 1 343.581 1.838 20 0 EDADMP CSC[C@H](O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372302113 156321231 /nfs/dbraw/zinc/32/12/31/156321231.db2.gz QPHHFGZKBYODJH-GOSISDBHSA-N 3 1 343.581 1.838 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)C1 ZINC000372342536 156343320 /nfs/dbraw/zinc/34/33/20/156343320.db2.gz VCBDDFKVKXONAW-VVLHAWIVSA-N 2 1 338.496 1.412 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)C1 ZINC000372342536 156343327 /nfs/dbraw/zinc/34/33/27/156343327.db2.gz VCBDDFKVKXONAW-VVLHAWIVSA-N 2 1 338.496 1.412 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3ccccc3C(N)=O)C2)CC1 ZINC000374074753 157132078 /nfs/dbraw/zinc/13/20/78/157132078.db2.gz NCDKWGNCXHBZOB-UHFFFAOYSA-N 2 1 344.459 1.532 20 0 EDADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000374330667 157248084 /nfs/dbraw/zinc/24/80/84/157248084.db2.gz XAITYTLSWLNTLY-KGLIPLIRSA-N 2 1 347.463 1.633 20 0 EDADMP Cn1cc(N2CCC[C@H](N3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)C2=O)cn1 ZINC000377855030 158011356 /nfs/dbraw/zinc/01/13/56/158011356.db2.gz IRHRUNBNMGEOPP-RANZSIQMSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)C2=O)cn1 ZINC000377855030 158011359 /nfs/dbraw/zinc/01/13/59/158011359.db2.gz IRHRUNBNMGEOPP-RANZSIQMSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)C2=O)cn1 ZINC000377855030 158011361 /nfs/dbraw/zinc/01/13/61/158011361.db2.gz IRHRUNBNMGEOPP-RANZSIQMSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1cc(N2CCC[C@H]([NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)C2=O)cn1 ZINC000377855030 158011363 /nfs/dbraw/zinc/01/13/63/158011363.db2.gz IRHRUNBNMGEOPP-RANZSIQMSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1cc(N2CCC[C@H]([NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)C2=O)cn1 ZINC000377855030 158011366 /nfs/dbraw/zinc/01/13/66/158011366.db2.gz IRHRUNBNMGEOPP-RANZSIQMSA-N 2 1 343.475 1.332 20 0 EDADMP CC(C)OCCN1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377970941 158043298 /nfs/dbraw/zinc/04/32/98/158043298.db2.gz QYSCIZXDFRLLEJ-SFHVURJKSA-N 2 1 343.487 1.768 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@H]3CNC(=O)O3)CC2)C[C@H](C)O1 ZINC000378283248 158128896 /nfs/dbraw/zinc/12/88/96/158128896.db2.gz BUUGKCDFMMYKMW-IJEWVQPXSA-N 2 1 325.453 1.306 20 0 EDADMP CCCn1cc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000378618736 158220301 /nfs/dbraw/zinc/22/03/01/158220301.db2.gz TWQYRKGPIWEBHY-QGZVFWFLSA-N 2 1 333.480 1.534 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000352149953 162014506 /nfs/dbraw/zinc/01/45/06/162014506.db2.gz VPLGLHFBSRCGAN-CABCVRRESA-N 2 1 326.485 1.269 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000418458292 304497782 /nfs/dbraw/zinc/49/77/82/304497782.db2.gz FKHQERAUJSFFGL-MWDXBVQZSA-N 2 1 340.512 1.787 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH2+]C)c1cnn(C)c1)c1ccccc1 ZINC000262021071 273017576 /nfs/dbraw/zinc/01/75/76/273017576.db2.gz XTXNCPMLVVLEMB-ZWKOTPCHSA-N 2 1 343.475 1.880 20 0 EDADMP CN(CC[N@H+](C)C1CC1)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000274463085 268143339 /nfs/dbraw/zinc/14/33/39/268143339.db2.gz HZYKPONZFSKZQP-UHFFFAOYSA-N 2 1 344.503 1.357 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000274463085 268143340 /nfs/dbraw/zinc/14/33/40/268143340.db2.gz HZYKPONZFSKZQP-UHFFFAOYSA-N 2 1 344.503 1.357 20 0 EDADMP COC(=O)CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000274589866 268165352 /nfs/dbraw/zinc/16/53/52/268165352.db2.gz JREBGOVTVKQMBK-KRWDZBQOSA-N 2 1 349.475 1.679 20 0 EDADMP C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972297 268253873 /nfs/dbraw/zinc/25/38/73/268253873.db2.gz YDUWKSKMNHERGR-SXLOBPIMSA-N 2 1 330.520 1.732 20 0 EDADMP C[C@H](NC[C@H]1C[N@H+](C)CCN1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274972297 268253876 /nfs/dbraw/zinc/25/38/76/268253876.db2.gz YDUWKSKMNHERGR-SXLOBPIMSA-N 2 1 330.520 1.732 20 0 EDADMP C[C@H](NC[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274972297 268253877 /nfs/dbraw/zinc/25/38/77/268253877.db2.gz YDUWKSKMNHERGR-SXLOBPIMSA-N 2 1 330.520 1.732 20 0 EDADMP C[C@H](NC[C@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972297 268253879 /nfs/dbraw/zinc/25/38/79/268253879.db2.gz YDUWKSKMNHERGR-SXLOBPIMSA-N 2 1 330.520 1.732 20 0 EDADMP C[C@H](NC[C@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972297 268253880 /nfs/dbraw/zinc/25/38/80/268253880.db2.gz YDUWKSKMNHERGR-SXLOBPIMSA-N 2 1 330.520 1.732 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000276036992 268392755 /nfs/dbraw/zinc/39/27/55/268392755.db2.gz RGSJACOKNUPBSR-INIZCTEOSA-N 2 1 346.475 1.405 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275979120 273138636 /nfs/dbraw/zinc/13/86/36/273138636.db2.gz YAYMUCOTSKSURH-ZBFHGGJFSA-N 2 1 325.478 1.178 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275979120 273138637 /nfs/dbraw/zinc/13/86/37/273138637.db2.gz YAYMUCOTSKSURH-ZBFHGGJFSA-N 2 1 325.478 1.178 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000175954763 272937473 /nfs/dbraw/zinc/93/74/73/272937473.db2.gz NGVBVWBMIVOQIH-UHFFFAOYSA-N 2 1 326.485 1.082 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279847335 273333303 /nfs/dbraw/zinc/33/33/03/273333303.db2.gz RXBMYZPLHDWIGX-NJAFHUGGSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279847335 273333304 /nfs/dbraw/zinc/33/33/04/273333304.db2.gz RXBMYZPLHDWIGX-NJAFHUGGSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@H](O)C(C)(C)C1 ZINC000279847335 273333305 /nfs/dbraw/zinc/33/33/05/273333305.db2.gz RXBMYZPLHDWIGX-NJAFHUGGSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@H](O)C(C)(C)C1 ZINC000279847335 273333306 /nfs/dbraw/zinc/33/33/06/273333306.db2.gz RXBMYZPLHDWIGX-NJAFHUGGSA-N 2 1 345.487 1.468 20 0 EDADMP [NH3+]C1CC[NH+](CCCC(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)CC1 ZINC000337197621 274943767 /nfs/dbraw/zinc/94/37/67/274943767.db2.gz YTQBGRNIDCIHJS-GOSISDBHSA-N 3 1 348.466 1.502 20 0 EDADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000270825777 276323157 /nfs/dbraw/zinc/32/31/57/276323157.db2.gz IRCQQEVPZBXTBN-ZWKOTPCHSA-N 2 1 333.476 1.327 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C1 ZINC000363882760 276337288 /nfs/dbraw/zinc/33/72/88/276337288.db2.gz BMDAVZYQHADOQR-MRXNPFEDSA-N 2 1 347.507 1.668 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C1 ZINC000363882760 276337290 /nfs/dbraw/zinc/33/72/90/276337290.db2.gz BMDAVZYQHADOQR-MRXNPFEDSA-N 2 1 347.507 1.668 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000331360517 276359432 /nfs/dbraw/zinc/35/94/32/276359432.db2.gz XXCBWIKJJVEMBF-HOTGVXAUSA-N 2 1 325.497 1.316 20 0 EDADMP CC[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]1c1ccccc1 ZINC000347440974 276393031 /nfs/dbraw/zinc/39/30/31/276393031.db2.gz AWWHJEQQTOIDIB-MJGOQNOKSA-N 2 1 333.476 1.905 20 0 EDADMP CC[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]1c1ccccc1 ZINC000347440974 276393032 /nfs/dbraw/zinc/39/30/32/276393032.db2.gz AWWHJEQQTOIDIB-MJGOQNOKSA-N 2 1 333.476 1.905 20 0 EDADMP CC[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C(C)C)[C@@H]1c1ccccc1 ZINC000347440974 276393034 /nfs/dbraw/zinc/39/30/34/276393034.db2.gz AWWHJEQQTOIDIB-MJGOQNOKSA-N 2 1 333.476 1.905 20 0 EDADMP CC[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)[C@@H]1c1ccccc1 ZINC000347440974 276393036 /nfs/dbraw/zinc/39/30/36/276393036.db2.gz AWWHJEQQTOIDIB-MJGOQNOKSA-N 2 1 333.476 1.905 20 0 EDADMP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158850102 277004481 /nfs/dbraw/zinc/00/44/81/277004481.db2.gz VMIMALCDWFBQTO-CABCVRRESA-N 2 1 338.496 1.807 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000265522443 277080300 /nfs/dbraw/zinc/08/03/00/277080300.db2.gz SZFWJEPKMXVCKO-WMZOPIPTSA-N 2 1 349.475 1.658 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000265522443 277080301 /nfs/dbraw/zinc/08/03/01/277080301.db2.gz SZFWJEPKMXVCKO-WMZOPIPTSA-N 2 1 349.475 1.658 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000265522443 277080302 /nfs/dbraw/zinc/08/03/02/277080302.db2.gz SZFWJEPKMXVCKO-WMZOPIPTSA-N 2 1 349.475 1.658 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000262636353 277105491 /nfs/dbraw/zinc/10/54/91/277105491.db2.gz HTWNMLOGOLBNNJ-ZWKOTPCHSA-N 2 1 330.476 1.091 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000262636353 277105492 /nfs/dbraw/zinc/10/54/92/277105492.db2.gz HTWNMLOGOLBNNJ-ZWKOTPCHSA-N 2 1 330.476 1.091 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000262636353 277105493 /nfs/dbraw/zinc/10/54/93/277105493.db2.gz HTWNMLOGOLBNNJ-ZWKOTPCHSA-N 2 1 330.476 1.091 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC([C@@H]4CCOC4)CC3)cn2)CC1 ZINC000371808523 277114306 /nfs/dbraw/zinc/11/43/06/277114306.db2.gz JCBPLHIHJHSYHF-GOSISDBHSA-N 2 1 345.491 1.477 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367618448 277172309 /nfs/dbraw/zinc/17/23/09/277172309.db2.gz SIYQGIYXZXXBMM-SQNIBIBYSA-N 2 1 330.476 1.881 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000377765921 277225980 /nfs/dbraw/zinc/22/59/80/277225980.db2.gz BQBHYENTKVLZJW-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000377765921 277225981 /nfs/dbraw/zinc/22/59/81/277225981.db2.gz BQBHYENTKVLZJW-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000377765921 277225982 /nfs/dbraw/zinc/22/59/82/277225982.db2.gz BQBHYENTKVLZJW-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)C[N@@H+]1C1CC1 ZINC000369639466 278018400 /nfs/dbraw/zinc/01/84/00/278018400.db2.gz MPMPMJOVZLCMKT-ILXRZTDVSA-N 2 1 331.464 1.712 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)C[N@H+]1C1CC1 ZINC000369639466 278018401 /nfs/dbraw/zinc/01/84/01/278018401.db2.gz MPMPMJOVZLCMKT-ILXRZTDVSA-N 2 1 331.464 1.712 20 0 EDADMP CC(C)c1cc(N2CCCC[C@H]2CNC(=O)CC[NH3+])nc(N(C)C)[nH+]1 ZINC000420249252 278018708 /nfs/dbraw/zinc/01/87/08/278018708.db2.gz RCMWDFSWACWKTH-AWEZNQCLSA-N 2 1 348.495 1.490 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(CC[NH3+])CCO)CC[N@H+]1Cc1ccccc1 ZINC000417828689 278018859 /nfs/dbraw/zinc/01/88/59/278018859.db2.gz FUURKCBQMCZMJC-NVXWUHKLSA-N 2 1 334.464 1.002 20 0 EDADMP CCN1CCN([C@@H]2CC[N@@H+](CCC(=O)c3ccc(OC)cc3)C2)CC1 ZINC000286453789 288009629 /nfs/dbraw/zinc/00/96/29/288009629.db2.gz OGOLUNQMTFZDKM-GOSISDBHSA-N 2 1 345.487 1.980 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000341899678 278192410 /nfs/dbraw/zinc/19/24/10/278192410.db2.gz JDVJFQLYZXFBHW-BDXSIMOUSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@@H+]1CC=CCC1)[NH+]1CCc2ccccc2C1 ZINC000353415446 278274573 /nfs/dbraw/zinc/27/45/73/278274573.db2.gz PIPDNDRURIICTO-KRWDZBQOSA-N 2 1 342.487 1.994 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CC=CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000353415446 278274575 /nfs/dbraw/zinc/27/45/75/278274575.db2.gz PIPDNDRURIICTO-KRWDZBQOSA-N 2 1 342.487 1.994 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CC=CCC1)[N@H+]1CCc2ccccc2C1 ZINC000353415446 278274577 /nfs/dbraw/zinc/27/45/77/278274577.db2.gz PIPDNDRURIICTO-KRWDZBQOSA-N 2 1 342.487 1.994 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000286552826 288033012 /nfs/dbraw/zinc/03/30/12/288033012.db2.gz ROXJYGQVPKZODJ-LSDHHAIUSA-N 2 1 349.479 1.065 20 0 EDADMP CCC(CC)[C@@H](C(=O)NCCC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000173385074 278602949 /nfs/dbraw/zinc/60/29/49/278602949.db2.gz GHMNVTAVYWVAJW-SFHVURJKSA-N 2 1 339.524 1.972 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000333385687 288066742 /nfs/dbraw/zinc/06/67/42/288066742.db2.gz OAQHWTJJLOHKIZ-DAYGRLMNSA-N 2 1 340.512 1.563 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000333385687 288066743 /nfs/dbraw/zinc/06/67/43/288066743.db2.gz OAQHWTJJLOHKIZ-DAYGRLMNSA-N 2 1 340.512 1.563 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000418679993 279039070 /nfs/dbraw/zinc/03/90/70/279039070.db2.gz FMHPPJLCMAKWIH-BPQIPLTHSA-N 2 1 330.476 1.725 20 0 EDADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354935941 279054937 /nfs/dbraw/zinc/05/49/37/279054937.db2.gz SZYNQJASKSICJY-UONOGXRCSA-N 2 1 347.442 1.589 20 0 EDADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccccc1 ZINC000078638622 279154270 /nfs/dbraw/zinc/15/42/70/279154270.db2.gz BZMSCPIFBPKKIJ-ROUUACIJSA-N 2 1 332.492 1.432 20 0 EDADMP Cc1ccc([C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)[NH+](C)C)cc1 ZINC000287172430 288172322 /nfs/dbraw/zinc/17/23/22/288172322.db2.gz JPWIFOPIPVJBPG-AEFFLSMTSA-N 2 1 348.491 1.306 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C[C@@H](C)O1 ZINC000333819641 288189148 /nfs/dbraw/zinc/18/91/48/288189148.db2.gz KREMHJFIUWBUEA-OVYGPGRDSA-N 2 1 338.496 1.268 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)C[C@H]1C[C@H](OC)C[NH+]1C ZINC000347241648 280249083 /nfs/dbraw/zinc/24/90/83/280249083.db2.gz DPRAMHXWDJQPAU-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)C[C@H]1C[C@H](OC)C[N@@H+]1C ZINC000347241648 280249084 /nfs/dbraw/zinc/24/90/84/280249084.db2.gz DPRAMHXWDJQPAU-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)C[C@H]1C[C@H](OC)C[N@H+]1C ZINC000347241648 280249085 /nfs/dbraw/zinc/24/90/85/280249085.db2.gz DPRAMHXWDJQPAU-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000287411532 288232008 /nfs/dbraw/zinc/23/20/08/288232008.db2.gz XIWPDTQTQUAKKJ-RYRKJORJSA-N 2 1 348.491 1.386 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2c(C)ccnc2C)CC1 ZINC000287543605 288262086 /nfs/dbraw/zinc/26/20/86/288262086.db2.gz OLHSCJPHSSSHGP-ZDUSSCGKSA-N 2 1 334.420 1.800 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC[N@H+]1CCOC ZINC000358868289 288264842 /nfs/dbraw/zinc/26/48/42/288264842.db2.gz WARLSCSFPYRGPC-IRXDYDNUSA-N 2 1 337.439 1.437 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000659983425 452892064 /nfs/dbraw/zinc/89/20/64/452892064.db2.gz MAIYFRIMVGFKAI-UKRRQHHQSA-N 2 1 325.478 1.509 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CCCCC2)CCO1 ZINC000444180750 281229441 /nfs/dbraw/zinc/22/94/41/281229441.db2.gz IAMYOLFLFCCYGE-QFBILLFUSA-N 2 1 349.519 1.916 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000358884733 289131231 /nfs/dbraw/zinc/13/12/31/289131231.db2.gz HXUTXKLGVMRZIJ-IRXDYDNUSA-N 2 1 341.544 1.384 20 0 EDADMP CN(CCCN(C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)CC[NH+](C)C ZINC000358884733 289131236 /nfs/dbraw/zinc/13/12/36/289131236.db2.gz HXUTXKLGVMRZIJ-IRXDYDNUSA-N 2 1 341.544 1.384 20 0 EDADMP C[C@@H](CCCC[NH3+])NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000292049111 289248270 /nfs/dbraw/zinc/24/82/70/289248270.db2.gz IXRRYLVNCAOKSW-FUHWJXTLSA-N 2 1 333.476 1.911 20 0 EDADMP C[C@@H](CCCC[NH3+])NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000292049111 289248274 /nfs/dbraw/zinc/24/82/74/289248274.db2.gz IXRRYLVNCAOKSW-FUHWJXTLSA-N 2 1 333.476 1.911 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[NH+]1CCSCC1 ZINC000344450394 289304409 /nfs/dbraw/zinc/30/44/09/289304409.db2.gz IOMGBEQUJRMDRW-VYDXJSESSA-N 2 1 337.533 1.899 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+]1CCSCC1 ZINC000344450394 289304410 /nfs/dbraw/zinc/30/44/10/289304410.db2.gz IOMGBEQUJRMDRW-VYDXJSESSA-N 2 1 337.533 1.899 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cn2cc[nH+]c12 ZINC000293032999 289503774 /nfs/dbraw/zinc/50/37/74/289503774.db2.gz JCABASXXONEQKB-AWEZNQCLSA-N 2 1 345.447 1.674 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1(C)C ZINC000497025674 290043529 /nfs/dbraw/zinc/04/35/29/290043529.db2.gz LMAVTUDGZYAFBG-UHFFFAOYSA-N 2 1 342.528 1.905 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NCCN3CCc4ccccc43)C[C@H]21 ZINC000342111864 295316428 /nfs/dbraw/zinc/31/64/28/295316428.db2.gz UVCMGVVUKYAFML-RCCFBDPRSA-N 2 1 342.487 1.225 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NCCN3CCc4ccccc43)C[C@H]21 ZINC000342111864 295316431 /nfs/dbraw/zinc/31/64/31/295316431.db2.gz UVCMGVVUKYAFML-RCCFBDPRSA-N 2 1 342.487 1.225 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000418556356 304512918 /nfs/dbraw/zinc/51/29/18/304512918.db2.gz FJAJXIJKISNPGC-GDBMZVCRSA-N 2 1 336.505 1.616 20 0 EDADMP [NH3+]CC1(O)CC[NH+](CCOc2ccccc2Br)CC1 ZINC000420410062 304756232 /nfs/dbraw/zinc/75/62/32/304756232.db2.gz ZPGGEMIPQLJKNT-UHFFFAOYSA-N 2 1 329.238 1.614 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000295245406 303194060 /nfs/dbraw/zinc/19/40/60/303194060.db2.gz PVDGCXTZSCVYGV-GOSISDBHSA-N 2 1 345.487 1.796 20 0 EDADMP O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000295600433 303240171 /nfs/dbraw/zinc/24/01/71/303240171.db2.gz WZDSURJIQPMZLM-IBGZPJMESA-N 2 1 345.487 1.859 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@H](C)[N@H+]1CCO ZINC000456208848 447328149 /nfs/dbraw/zinc/32/81/49/447328149.db2.gz IXZRIVGYXYVDEN-IYBDPMFKSA-N 2 1 349.475 1.154 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@H](C)[N@@H+]1CCO ZINC000456208848 447328151 /nfs/dbraw/zinc/32/81/51/447328151.db2.gz IXZRIVGYXYVDEN-IYBDPMFKSA-N 2 1 349.475 1.154 20 0 EDADMP Cc1ccc(CCN2CC[N@@H+](C[C@H]3CN(C)CCO3)C[C@@H]2C)cc1 ZINC000377764612 447344206 /nfs/dbraw/zinc/34/42/06/447344206.db2.gz VEFOYJRLNHUTLX-AZUAARDMSA-N 2 1 331.504 1.874 20 0 EDADMP Cc1ccc(CCN2CC[N@H+](C[C@H]3CN(C)CCO3)C[C@@H]2C)cc1 ZINC000377764612 447344211 /nfs/dbraw/zinc/34/42/11/447344211.db2.gz VEFOYJRLNHUTLX-AZUAARDMSA-N 2 1 331.504 1.874 20 0 EDADMP COC[C@@]1(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2OC)CCC[NH2+]1 ZINC000423427340 304895785 /nfs/dbraw/zinc/89/57/85/304895785.db2.gz NUJIOICSUSVXFG-KSSFIOAISA-N 2 1 335.448 1.771 20 0 EDADMP [NH3+]CC1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000428123428 305007644 /nfs/dbraw/zinc/00/76/44/305007644.db2.gz WBEVFCONKVLDOQ-UHFFFAOYSA-N 2 1 330.476 1.002 20 0 EDADMP CSC[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000430201719 305047448 /nfs/dbraw/zinc/04/74/48/305047448.db2.gz ZRBYVDPKHXFNLA-HNNXBMFYSA-N 2 1 335.521 1.803 20 0 EDADMP CSC[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000430201719 305047449 /nfs/dbraw/zinc/04/74/49/305047449.db2.gz ZRBYVDPKHXFNLA-HNNXBMFYSA-N 2 1 335.521 1.803 20 0 EDADMP COc1cc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)cc(OC)c1OC ZINC000430609082 305058476 /nfs/dbraw/zinc/05/84/76/305058476.db2.gz GKUJUJJDKXYAQY-UHFFFAOYSA-N 2 1 337.420 1.322 20 0 EDADMP CCn1c(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)nc2cc(F)ccc21 ZINC000430611624 305058717 /nfs/dbraw/zinc/05/87/17/305058717.db2.gz PABRBWNFOTZAHE-ZDUSSCGKSA-N 2 1 347.438 1.482 20 0 EDADMP CCn1c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)nc2cc(F)ccc21 ZINC000430611624 305058718 /nfs/dbraw/zinc/05/87/18/305058718.db2.gz PABRBWNFOTZAHE-ZDUSSCGKSA-N 2 1 347.438 1.482 20 0 EDADMP [NH3+]C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430626754 305059917 /nfs/dbraw/zinc/05/99/17/305059917.db2.gz MCXFDABUXZJGHB-MRXNPFEDSA-N 2 1 348.466 1.535 20 0 EDADMP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430627396 305060102 /nfs/dbraw/zinc/06/01/02/305060102.db2.gz NBVAZBCVANFYHB-HOTGVXAUSA-N 2 1 344.459 1.157 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C[NH2+]CC2CC2)C[C@H](C)O1 ZINC000430689483 305062420 /nfs/dbraw/zinc/06/24/20/305062420.db2.gz FBKCWJIMZLDPDL-IYBDPMFKSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C[NH2+]CC2CC2)C[C@H](C)O1 ZINC000430689483 305062421 /nfs/dbraw/zinc/06/24/21/305062421.db2.gz FBKCWJIMZLDPDL-IYBDPMFKSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(C)(C)C[NH3+])C[C@@H](C)O1 ZINC000430692595 305062604 /nfs/dbraw/zinc/06/26/04/305062604.db2.gz TUSQLDCVVZAYAS-HUUCEWRRSA-N 2 1 333.476 1.897 20 0 EDADMP C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[N@H+]1CCCC[C@@H]1C ZINC000430747937 305063895 /nfs/dbraw/zinc/06/38/95/305063895.db2.gz NZHSZPOJKOXNSF-UONOGXRCSA-N 2 1 334.468 1.195 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000430917269 305067982 /nfs/dbraw/zinc/06/79/82/305067982.db2.gz YGENKYLLEIGTLG-QZTJIDSGSA-N 2 1 349.475 1.191 20 0 EDADMP CC(C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000431512422 305078528 /nfs/dbraw/zinc/07/85/28/305078528.db2.gz OSRCNXNWKCLSCH-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000431512422 305078529 /nfs/dbraw/zinc/07/85/29/305078529.db2.gz OSRCNXNWKCLSCH-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP CN(C)c1ccnc(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)n1 ZINC000432357323 305092032 /nfs/dbraw/zinc/09/20/32/305092032.db2.gz HREGIVMOYAUYHC-UHFFFAOYSA-N 2 1 349.483 1.032 20 0 EDADMP CN(C)c1ccnc(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)n1 ZINC000432357323 305092033 /nfs/dbraw/zinc/09/20/33/305092033.db2.gz HREGIVMOYAUYHC-UHFFFAOYSA-N 2 1 349.483 1.032 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000433053203 305099405 /nfs/dbraw/zinc/09/94/05/305099405.db2.gz PJWQXNKOACRCJO-SFHVURJKSA-N 2 1 333.476 1.122 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000433053203 305099406 /nfs/dbraw/zinc/09/94/06/305099406.db2.gz PJWQXNKOACRCJO-SFHVURJKSA-N 2 1 333.476 1.122 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000433945174 305115439 /nfs/dbraw/zinc/11/54/39/305115439.db2.gz CLXDWCQLMWHCJV-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000433945174 305115440 /nfs/dbraw/zinc/11/54/40/305115440.db2.gz CLXDWCQLMWHCJV-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[NH+](CCCNC(=O)NCc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000435546475 305142049 /nfs/dbraw/zinc/14/20/49/305142049.db2.gz SUTIKWPTGPCIPL-UHFFFAOYSA-N 2 1 338.500 1.794 20 0 EDADMP CC[N@H+](CC(=O)NCc1ccccc1COC)[C@@H]1CCC[NH2+]CC1 ZINC000435615541 305143610 /nfs/dbraw/zinc/14/36/10/305143610.db2.gz PPONJCVZUFSHFU-GOSISDBHSA-N 2 1 333.476 1.913 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccccc1COC)[C@@H]1CCC[NH2+]CC1 ZINC000435615541 305143611 /nfs/dbraw/zinc/14/36/11/305143611.db2.gz PPONJCVZUFSHFU-GOSISDBHSA-N 2 1 333.476 1.913 20 0 EDADMP O=C(N1CC[NH+](CCc2ccccc2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435888389 305148989 /nfs/dbraw/zinc/14/89/89/305148989.db2.gz IARYKZOIBYOVOS-UYAOXDASSA-N 2 1 327.472 1.763 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438888234 305190571 /nfs/dbraw/zinc/19/05/71/305190571.db2.gz BVVLZJKHTOZBED-PZPSRYQVSA-N 2 1 326.444 1.637 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438892182 305190734 /nfs/dbraw/zinc/19/07/34/305190734.db2.gz WDQSNFDSALFPEW-INIZCTEOSA-N 2 1 325.416 1.749 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440164310 305203998 /nfs/dbraw/zinc/20/39/98/305203998.db2.gz OIARBCHUSDHLAY-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440164310 305203999 /nfs/dbraw/zinc/20/39/99/305203999.db2.gz OIARBCHUSDHLAY-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440164310 305204000 /nfs/dbraw/zinc/20/40/00/305204000.db2.gz OIARBCHUSDHLAY-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440990453 305215955 /nfs/dbraw/zinc/21/59/55/305215955.db2.gz VXIHVRPYLUXTMB-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CNC(=O)Cc1noc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000443598516 305239870 /nfs/dbraw/zinc/23/98/70/305239870.db2.gz BWWIOVNQRBVLSI-UHFFFAOYSA-N 2 1 349.479 1.446 20 0 EDADMP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C)[C@H](C)O1 ZINC000446082627 305261062 /nfs/dbraw/zinc/26/10/62/305261062.db2.gz PYTQMNJSXPFGQM-KURKYZTESA-N 2 1 345.487 1.829 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC000448258949 305294780 /nfs/dbraw/zinc/29/47/80/305294780.db2.gz ZVQFUDPHXWDDOZ-JYJNAYRXSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC000448258949 305294781 /nfs/dbraw/zinc/29/47/81/305294781.db2.gz ZVQFUDPHXWDDOZ-JYJNAYRXSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC000448258949 305294782 /nfs/dbraw/zinc/29/47/82/305294782.db2.gz ZVQFUDPHXWDDOZ-JYJNAYRXSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000449355265 305312279 /nfs/dbraw/zinc/31/22/79/305312279.db2.gz XJUIIZPSLSISRT-FQEVSTJZSA-N 2 1 345.487 1.487 20 0 EDADMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452384773 305396245 /nfs/dbraw/zinc/39/62/45/305396245.db2.gz CGUKBHWNLRSJRP-MSOLQXFVSA-N 2 1 333.476 1.122 20 0 EDADMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452384773 305396246 /nfs/dbraw/zinc/39/62/46/305396246.db2.gz CGUKBHWNLRSJRP-MSOLQXFVSA-N 2 1 333.476 1.122 20 0 EDADMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cn2)CC1 ZINC000518164318 305759338 /nfs/dbraw/zinc/75/93/38/305759338.db2.gz MMPPJHDZJGQHQA-QZTJIDSGSA-N 2 1 331.508 1.831 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@@H]1CCCC[NH2+]C1 ZINC000518491666 305761982 /nfs/dbraw/zinc/76/19/82/305761982.db2.gz XSIBRVUBWNAODL-GOSISDBHSA-N 2 1 346.475 1.825 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000458431399 447363932 /nfs/dbraw/zinc/36/39/32/447363932.db2.gz NFUDFTCYMVPPGZ-QGZVFWFLSA-N 2 1 340.512 1.351 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000458431399 447363938 /nfs/dbraw/zinc/36/39/38/447363938.db2.gz NFUDFTCYMVPPGZ-QGZVFWFLSA-N 2 1 340.512 1.351 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000414934724 447364274 /nfs/dbraw/zinc/36/42/74/447364274.db2.gz TUOMXQJGSBTOFS-MRXNPFEDSA-N 2 1 330.432 1.041 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000414934724 447364285 /nfs/dbraw/zinc/36/42/85/447364285.db2.gz TUOMXQJGSBTOFS-MRXNPFEDSA-N 2 1 330.432 1.041 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000422133153 447364866 /nfs/dbraw/zinc/36/48/66/447364866.db2.gz KWJPEFWBTNQDFI-HOTGVXAUSA-N 2 1 325.522 1.757 20 0 EDADMP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000530220851 305934458 /nfs/dbraw/zinc/93/44/58/305934458.db2.gz DEBRRRYQKMQFGJ-UHFFFAOYSA-N 2 1 346.475 1.488 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c[nH]1 ZINC000539864195 306037846 /nfs/dbraw/zinc/03/78/46/306037846.db2.gz UKQLIAHHBFLJPJ-MRXNPFEDSA-N 2 1 334.464 1.402 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)[C@H]2C1 ZINC000540913510 306041293 /nfs/dbraw/zinc/04/12/93/306041293.db2.gz RKBOVBQZIQNHEE-QYZOEREBSA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)[C@H]2C1 ZINC000540913510 306041294 /nfs/dbraw/zinc/04/12/94/306041294.db2.gz RKBOVBQZIQNHEE-QYZOEREBSA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)[C@H]2C1 ZINC000540913510 306041295 /nfs/dbraw/zinc/04/12/95/306041295.db2.gz RKBOVBQZIQNHEE-QYZOEREBSA-N 2 1 342.487 1.846 20 0 EDADMP C[N@@H+](CCC(=O)NCCN1CCOCC1(C)C)C1CCCCC1 ZINC000548388625 306126166 /nfs/dbraw/zinc/12/61/66/306126166.db2.gz ILQYHDYWTVBICV-UHFFFAOYSA-N 2 1 325.497 1.868 20 0 EDADMP C[NH+](C)CCCCC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000551104106 306155847 /nfs/dbraw/zinc/15/58/47/306155847.db2.gz BCEKFLSMLMKKFA-ZWKOTPCHSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H](C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+]1CC(C)C1 ZINC000553084428 306182571 /nfs/dbraw/zinc/18/25/71/306182571.db2.gz JSTHTZDOFICAOQ-IXDOHACOSA-N 2 1 337.508 1.674 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000414946844 447369520 /nfs/dbraw/zinc/36/95/20/447369520.db2.gz TYZINSHIPBUQQG-YOEHRIQHSA-N 2 1 346.475 1.580 20 0 EDADMP COC[C@]1(C[NH2+][C@@H](C)CC(=O)Nc2cccc(OC)c2)CCC[NH2+]1 ZINC000414948659 447369033 /nfs/dbraw/zinc/36/90/33/447369033.db2.gz XZFQZOBJKKGLNW-KBXCAEBGSA-N 2 1 335.448 1.771 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000458487496 447384168 /nfs/dbraw/zinc/38/41/68/447384168.db2.gz KLOLYPCFAJCYHU-UHFFFAOYSA-N 2 1 341.544 1.434 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1 ZINC000458487496 447384174 /nfs/dbraw/zinc/38/41/74/447384174.db2.gz KLOLYPCFAJCYHU-UHFFFAOYSA-N 2 1 341.544 1.434 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1 ZINC000458487496 447384180 /nfs/dbraw/zinc/38/41/80/447384180.db2.gz KLOLYPCFAJCYHU-UHFFFAOYSA-N 2 1 341.544 1.434 20 0 EDADMP C[C@@]1(CNc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000415112705 447389640 /nfs/dbraw/zinc/38/96/40/447389640.db2.gz DFEOFYIRYZMYFE-QFBILLFUSA-N 2 1 330.476 1.795 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)C(C)(C)C[NH+](C)C ZINC000458509064 447393729 /nfs/dbraw/zinc/39/37/29/447393729.db2.gz HVSJCXKJJNMYOJ-GJZGRUSLSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)C(C)(C)C[NH+](C)C ZINC000458522765 447398900 /nfs/dbraw/zinc/39/89/00/447398900.db2.gz PPPITKOLZQLIPL-HUUCEWRRSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000458538502 447403852 /nfs/dbraw/zinc/40/38/52/447403852.db2.gz AABBWWFAQTTWOA-QXCFHYIPSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000458538502 447403857 /nfs/dbraw/zinc/40/38/57/447403857.db2.gz AABBWWFAQTTWOA-QXCFHYIPSA-N 2 1 342.487 1.995 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000458541227 447406015 /nfs/dbraw/zinc/40/60/15/447406015.db2.gz SBCRASDUGVCQGX-DLBZAZTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000458541227 447406021 /nfs/dbraw/zinc/40/60/21/447406021.db2.gz SBCRASDUGVCQGX-DLBZAZTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000458541227 447406029 /nfs/dbraw/zinc/40/60/29/447406029.db2.gz SBCRASDUGVCQGX-DLBZAZTESA-N 2 1 340.512 1.110 20 0 EDADMP CC[N@H+](CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000102550728 441169422 /nfs/dbraw/zinc/16/94/22/441169422.db2.gz ZSYLCLRZDKSDLV-IYBDPMFKSA-N 2 1 342.528 1.904 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000102550728 441169426 /nfs/dbraw/zinc/16/94/26/441169426.db2.gz ZSYLCLRZDKSDLV-IYBDPMFKSA-N 2 1 342.528 1.904 20 0 EDADMP CC[NH+](CCNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000102550728 441169430 /nfs/dbraw/zinc/16/94/30/441169430.db2.gz ZSYLCLRZDKSDLV-IYBDPMFKSA-N 2 1 342.528 1.904 20 0 EDADMP CC[NH+](CCNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000102550728 441169434 /nfs/dbraw/zinc/16/94/34/441169434.db2.gz ZSYLCLRZDKSDLV-IYBDPMFKSA-N 2 1 342.528 1.904 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCC(O)CC1 ZINC000080565233 441179102 /nfs/dbraw/zinc/17/91/02/441179102.db2.gz UIQADMYDCVPAEU-AQFXKWCLSA-N 2 1 340.512 1.347 20 0 EDADMP CC(C)[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000104882652 441218406 /nfs/dbraw/zinc/21/84/06/441218406.db2.gz NHSRKDHLCFHPCD-GOSISDBHSA-N 2 1 332.492 1.432 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000104882652 441218409 /nfs/dbraw/zinc/21/84/09/441218409.db2.gz NHSRKDHLCFHPCD-GOSISDBHSA-N 2 1 332.492 1.432 20 0 EDADMP Cn1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c(-c2cccnc2)n1 ZINC000105476154 441255810 /nfs/dbraw/zinc/25/58/10/441255810.db2.gz YHESTLXSDDDLCG-UHFFFAOYSA-N 2 1 342.491 1.599 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(C)(C)COC)CC2)CC1 ZINC000426410638 447438657 /nfs/dbraw/zinc/43/86/57/447438657.db2.gz JQFXRUWBCDRBKE-UHFFFAOYSA-N 2 1 339.524 1.925 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000072963278 441279740 /nfs/dbraw/zinc/27/97/40/441279740.db2.gz SOIJVFMOXDRBLI-IXDOHACOSA-N 2 1 325.497 1.581 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000072963278 441279744 /nfs/dbraw/zinc/27/97/44/441279744.db2.gz SOIJVFMOXDRBLI-IXDOHACOSA-N 2 1 325.497 1.581 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000072963278 441279749 /nfs/dbraw/zinc/27/97/49/441279749.db2.gz SOIJVFMOXDRBLI-IXDOHACOSA-N 2 1 325.497 1.581 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000072963278 441279753 /nfs/dbraw/zinc/27/97/53/441279753.db2.gz SOIJVFMOXDRBLI-IXDOHACOSA-N 2 1 325.497 1.581 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000062506356 441303701 /nfs/dbraw/zinc/30/37/01/441303701.db2.gz GEHODIIGHFGHNR-KRWDZBQOSA-N 2 1 347.507 1.448 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000073385236 441314046 /nfs/dbraw/zinc/31/40/46/441314046.db2.gz AFAYCVJLPHDQQT-VMWRSERWSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000073385236 441314050 /nfs/dbraw/zinc/31/40/50/441314050.db2.gz AFAYCVJLPHDQQT-VMWRSERWSA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000074176963 441404228 /nfs/dbraw/zinc/40/42/28/441404228.db2.gz QWYWFXBOEJSTFD-QZTJIDSGSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000074176963 441404230 /nfs/dbraw/zinc/40/42/30/441404230.db2.gz QWYWFXBOEJSTFD-QZTJIDSGSA-N 2 1 330.476 1.989 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000074193471 441405426 /nfs/dbraw/zinc/40/54/26/441405426.db2.gz OHUFNKZTSAFSAX-HKUYNNGSSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000074193471 441405431 /nfs/dbraw/zinc/40/54/31/441405431.db2.gz OHUFNKZTSAFSAX-HKUYNNGSSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000074193471 441405434 /nfs/dbraw/zinc/40/54/34/441405434.db2.gz OHUFNKZTSAFSAX-HKUYNNGSSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000074193471 441405439 /nfs/dbraw/zinc/40/54/39/441405439.db2.gz OHUFNKZTSAFSAX-HKUYNNGSSA-N 2 1 345.487 1.830 20 0 EDADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[NH+](C)CC1 ZINC000053919619 441548696 /nfs/dbraw/zinc/54/86/96/441548696.db2.gz BKBOLBCXTRERMJ-UHFFFAOYSA-N 2 1 331.464 1.526 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000113620491 441619374 /nfs/dbraw/zinc/61/93/74/441619374.db2.gz YQTBZPBWDGGGOY-KRWDZBQOSA-N 2 1 340.512 1.254 20 0 EDADMP CCOC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114485464 441663126 /nfs/dbraw/zinc/66/31/26/441663126.db2.gz XSNLOTQVVHLQPE-INIZCTEOSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccn1 ZINC000136701337 441715929 /nfs/dbraw/zinc/71/59/29/441715929.db2.gz UBZITYGZADIHGW-MRXNPFEDSA-N 2 1 332.448 1.332 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ccn1 ZINC000136701337 441715932 /nfs/dbraw/zinc/71/59/32/441715932.db2.gz UBZITYGZADIHGW-MRXNPFEDSA-N 2 1 332.448 1.332 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCOC4(CCCC4)C3)cn2)CC1 ZINC000136696155 441716818 /nfs/dbraw/zinc/71/68/18/441716818.db2.gz MSDXGNTWPWRITH-KRWDZBQOSA-N 2 1 345.491 1.810 20 0 EDADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000136923892 441731949 /nfs/dbraw/zinc/73/19/49/441731949.db2.gz WKBAHBCHNSASRQ-APWZRJJASA-N 2 1 345.487 1.906 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@]3(C)CCC[NH2+]3)c2)CC1 ZINC000121700553 441762131 /nfs/dbraw/zinc/76/21/31/441762131.db2.gz CWAILBWQLXJDOK-IBGZPJMESA-N 2 1 344.459 1.084 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N3CC[C@@H]([NH+](C)C)C3)CC2)[nH+]c1 ZINC000173911442 441860645 /nfs/dbraw/zinc/86/06/45/441860645.db2.gz UGAWADHHQYHORS-MRXNPFEDSA-N 2 1 331.464 1.704 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)CC[C@@H](C)O)CC1 ZINC000173824667 441845145 /nfs/dbraw/zinc/84/51/45/441845145.db2.gz ZZSCKHGRQBIXOP-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)CC[C@@H](C)O)CC1 ZINC000173824667 441845149 /nfs/dbraw/zinc/84/51/49/441845149.db2.gz ZZSCKHGRQBIXOP-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)CC[C@@H](C)O)CC1 ZINC000173824667 441845152 /nfs/dbraw/zinc/84/51/52/441845152.db2.gz ZZSCKHGRQBIXOP-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)CC[C@@H](C)O)CC1 ZINC000173824667 441845157 /nfs/dbraw/zinc/84/51/57/441845157.db2.gz ZZSCKHGRQBIXOP-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000174373383 441918678 /nfs/dbraw/zinc/91/86/78/441918678.db2.gz KZXSGFLLWNJMTA-HNNXBMFYSA-N 2 1 347.459 1.458 20 0 EDADMP COC(=O)c1cccc(NC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123324411 441883669 /nfs/dbraw/zinc/88/36/69/441883669.db2.gz YZPZRJLGIKSGMA-BBRMVZONSA-N 2 1 333.432 1.826 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000119525981 441939377 /nfs/dbraw/zinc/93/93/77/441939377.db2.gz BLPVGFSBVFTUGL-CABCVRRESA-N 2 1 328.501 1.230 20 0 EDADMP CC[C@H](C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000124766706 441951255 /nfs/dbraw/zinc/95/12/55/441951255.db2.gz XPIATQLLZQFOAN-LJQANCHMSA-N 2 1 346.519 1.651 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC000078682965 441963054 /nfs/dbraw/zinc/96/30/54/441963054.db2.gz QRKDHGKGDNVNAE-HOTGVXAUSA-N 2 1 328.501 1.517 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000078682965 441963056 /nfs/dbraw/zinc/96/30/56/441963056.db2.gz QRKDHGKGDNVNAE-HOTGVXAUSA-N 2 1 328.501 1.517 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000078682965 441963058 /nfs/dbraw/zinc/96/30/58/441963058.db2.gz QRKDHGKGDNVNAE-HOTGVXAUSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000175184552 442012736 /nfs/dbraw/zinc/01/27/36/442012736.db2.gz QVZDELZDJYHRGU-PMPSAXMXSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000175184552 442012743 /nfs/dbraw/zinc/01/27/43/442012743.db2.gz QVZDELZDJYHRGU-PMPSAXMXSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000151829430 442126735 /nfs/dbraw/zinc/12/67/35/442126735.db2.gz WLFLNZDSYCSVDE-HNNXBMFYSA-N 2 1 338.496 1.101 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)C1(OC)CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000164343615 442195197 /nfs/dbraw/zinc/19/51/97/442195197.db2.gz IEEPWGGXJHSQHL-MRXNPFEDSA-N 2 1 341.496 1.008 20 0 EDADMP CN(CC(=O)NCCOc1ccc(F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152347791 442200319 /nfs/dbraw/zinc/20/03/19/442200319.db2.gz ZPOVPFNRDHEAOM-HNNXBMFYSA-N 2 1 337.439 1.594 20 0 EDADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2nnc(-c3ccco3)o2)CC1 ZINC000152906293 442250520 /nfs/dbraw/zinc/25/05/20/442250520.db2.gz KZQDFNMDRGSOFD-UHFFFAOYSA-N 2 1 347.419 1.932 20 0 EDADMP O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCN2CCCC[C@@H]2C1 ZINC000153242249 442270475 /nfs/dbraw/zinc/27/04/75/442270475.db2.gz NQTYCEWPWSKTND-JKSUJKDBSA-N 2 1 329.448 1.540 20 0 EDADMP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129291522 442310084 /nfs/dbraw/zinc/31/00/84/442310084.db2.gz NUDRRIQDHIHDAN-QZTJIDSGSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1CNC(=O)[C@@H](C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129291522 442310087 /nfs/dbraw/zinc/31/00/87/442310087.db2.gz NUDRRIQDHIHDAN-QZTJIDSGSA-N 2 1 345.487 1.654 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000155099276 442375459 /nfs/dbraw/zinc/37/54/59/442375459.db2.gz XBYYUNIZEQCAGU-FUHWJXTLSA-N 2 1 348.491 1.557 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000171898705 442388030 /nfs/dbraw/zinc/38/80/30/442388030.db2.gz OPAPELIFFLIZGX-QGZVFWFLSA-N 2 1 340.512 1.515 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000132200766 442388945 /nfs/dbraw/zinc/38/89/45/442388945.db2.gz GMUJAYHJNOMSSX-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000132200766 442388947 /nfs/dbraw/zinc/38/89/47/442388947.db2.gz GMUJAYHJNOMSSX-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000132200766 442388950 /nfs/dbraw/zinc/38/89/50/442388950.db2.gz GMUJAYHJNOMSSX-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000132200766 442388951 /nfs/dbraw/zinc/38/89/51/442388951.db2.gz GMUJAYHJNOMSSX-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000132200766 442388952 /nfs/dbraw/zinc/38/89/52/442388952.db2.gz GMUJAYHJNOMSSX-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H](CNC(=O)C[C@H]1CSCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000133521682 442422648 /nfs/dbraw/zinc/42/26/48/442422648.db2.gz YXSPRMMAFAQWCU-JSGCOSHPSA-N 2 1 339.530 1.706 20 0 EDADMP C[C@@H](CNC(=O)C[C@H]1CSCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000133521682 442422649 /nfs/dbraw/zinc/42/26/49/442422649.db2.gz YXSPRMMAFAQWCU-JSGCOSHPSA-N 2 1 339.530 1.706 20 0 EDADMP CCc1nc2c(s1)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000178671470 442454667 /nfs/dbraw/zinc/45/46/67/442454667.db2.gz VYIOKDHEOPETJM-ZDUSSCGKSA-N 2 1 336.505 1.837 20 0 EDADMP COC1(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000178831752 442497692 /nfs/dbraw/zinc/49/76/92/442497692.db2.gz XXEGTPUXQSYWQA-RDJZCZTQSA-N 2 1 331.460 1.534 20 0 EDADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000178850152 442502548 /nfs/dbraw/zinc/50/25/48/442502548.db2.gz NCQGXHLTULPGSV-SFHVURJKSA-N 2 1 333.476 1.913 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)CC1 ZINC000134254122 442462423 /nfs/dbraw/zinc/46/24/23/442462423.db2.gz BNTMZLRJXNSKKN-BEFAXECRSA-N 2 1 345.487 1.911 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)CC1 ZINC000134254122 442462430 /nfs/dbraw/zinc/46/24/30/442462430.db2.gz BNTMZLRJXNSKKN-BEFAXECRSA-N 2 1 345.487 1.911 20 0 EDADMP CC[NH+]1CCN(CCNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000134930288 442538194 /nfs/dbraw/zinc/53/81/94/442538194.db2.gz GWRQWMBBNGEXLJ-QGZVFWFLSA-N 2 1 344.503 1.187 20 0 EDADMP CC[NH+]1CCN(CCNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000134930288 442538197 /nfs/dbraw/zinc/53/81/97/442538197.db2.gz GWRQWMBBNGEXLJ-QGZVFWFLSA-N 2 1 344.503 1.187 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCCn1cc[nH+]c1C ZINC000173173111 442616368 /nfs/dbraw/zinc/61/63/68/442616368.db2.gz KWDGFNVMZMOLDT-INIZCTEOSA-N 2 1 337.468 1.382 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCCCn1cc[nH+]c1C ZINC000173173111 442616372 /nfs/dbraw/zinc/61/63/72/442616372.db2.gz KWDGFNVMZMOLDT-INIZCTEOSA-N 2 1 337.468 1.382 20 0 EDADMP CN(C)C(=O)COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192694871 442677519 /nfs/dbraw/zinc/67/75/19/442677519.db2.gz VWLXJWHEWSRJTK-ALOPSCKCSA-N 2 1 331.460 1.868 20 0 EDADMP CN(C)C(=O)COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192694871 442677520 /nfs/dbraw/zinc/67/75/20/442677520.db2.gz VWLXJWHEWSRJTK-ALOPSCKCSA-N 2 1 331.460 1.868 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000193317968 442732181 /nfs/dbraw/zinc/73/21/81/442732181.db2.gz XGWMNBUUWKGKNW-PBHICJAKSA-N 2 1 346.475 1.919 20 0 EDADMP CCCN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000188105156 442712353 /nfs/dbraw/zinc/71/23/53/442712353.db2.gz QLBDCCGFLGIKCB-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000181725272 442712871 /nfs/dbraw/zinc/71/28/71/442712871.db2.gz ZYZXEFWWBRKLCG-IRXDYDNUSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)c2)CCO1 ZINC000188741370 442800090 /nfs/dbraw/zinc/80/00/90/442800090.db2.gz GIXQGHZNYHSBHI-RRQGHBQHSA-N 2 1 335.423 1.224 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)c2)CCO1 ZINC000188741370 442800093 /nfs/dbraw/zinc/80/00/93/442800093.db2.gz GIXQGHZNYHSBHI-RRQGHBQHSA-N 2 1 335.423 1.224 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCn3ccnc3)CC2)CC1 ZINC000182774340 442822993 /nfs/dbraw/zinc/82/29/93/442822993.db2.gz BPTIRCSPDCYGDC-UHFFFAOYSA-N 2 1 347.507 1.539 20 0 EDADMP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000182683654 318510263 /nfs/dbraw/zinc/51/02/63/318510263.db2.gz GYLNOQQXVXFBDC-CQSZACIVSA-N 2 1 328.478 1.540 20 0 EDADMP C[NH+](C[C@@H](O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@@H]1CCCC[C@H]1O ZINC000248738199 442922495 /nfs/dbraw/zinc/92/24/95/442922495.db2.gz OBDJZMDQFWARIS-VPAKFMSCSA-N 2 1 342.524 1.313 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+](C)C[C@@H]1CCCC[C@H]1O)C[C@@H]1CCCC[C@@H]1O ZINC000248738199 442922501 /nfs/dbraw/zinc/92/25/01/442922501.db2.gz OBDJZMDQFWARIS-VPAKFMSCSA-N 2 1 342.524 1.313 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+](C)C[C@@H]1CCCC[C@H]1O)C[C@@H]1CCCC[C@@H]1O ZINC000248738199 442922507 /nfs/dbraw/zinc/92/25/07/442922507.db2.gz OBDJZMDQFWARIS-VPAKFMSCSA-N 2 1 342.524 1.313 20 0 EDADMP CC[C@]1(CO)CCC[NH+](CC(O)C[N@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000248745477 442923252 /nfs/dbraw/zinc/92/32/52/442923252.db2.gz RMRRSZMPMCUSRG-OALUTQOASA-N 2 1 342.524 1.316 20 0 EDADMP CC[C@]1(CO)CCC[NH+](CC(O)C[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000248745477 442923256 /nfs/dbraw/zinc/92/32/56/442923256.db2.gz RMRRSZMPMCUSRG-OALUTQOASA-N 2 1 342.524 1.316 20 0 EDADMP COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249352097 442967606 /nfs/dbraw/zinc/96/76/06/442967606.db2.gz QDNIIQJTBONPAA-DLBZAZTESA-N 2 1 347.459 1.433 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000189655099 442990212 /nfs/dbraw/zinc/99/02/12/442990212.db2.gz QUXDJRFVRQHDBQ-INIZCTEOSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)(O)C[NH+](CC1(C[N@H+](CC(C)(C)O)C2CC2)COC1)C1CC1 ZINC000189918554 443029354 /nfs/dbraw/zinc/02/93/54/443029354.db2.gz LOESVIUOVWVBBQ-UHFFFAOYSA-N 2 1 340.508 1.474 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)[C@H](C)C1 ZINC000266151349 443036310 /nfs/dbraw/zinc/03/63/10/443036310.db2.gz XAGXMQUBTXTFBM-CJNGLKHVSA-N 2 1 325.478 1.878 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCNC1=O ZINC000189959780 443038070 /nfs/dbraw/zinc/03/80/70/443038070.db2.gz UAQKDPWHHOKRPL-HUUCEWRRSA-N 2 1 344.459 1.284 20 0 EDADMP C[C@H]1CCC[C@@H](CO)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184605676 443048091 /nfs/dbraw/zinc/04/80/91/443048091.db2.gz UBISBUVKBVUFTN-SZMVWBNQSA-N 2 1 333.476 1.641 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000268770352 443103405 /nfs/dbraw/zinc/10/34/05/443103405.db2.gz POCICCOLOSWJTP-YKCBXCCJSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000268770352 443103408 /nfs/dbraw/zinc/10/34/08/443103408.db2.gz POCICCOLOSWJTP-YKCBXCCJSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000268770352 443103412 /nfs/dbraw/zinc/10/34/12/443103412.db2.gz POCICCOLOSWJTP-YKCBXCCJSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000268770352 443103414 /nfs/dbraw/zinc/10/34/14/443103414.db2.gz POCICCOLOSWJTP-YKCBXCCJSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000268770352 443103418 /nfs/dbraw/zinc/10/34/18/443103418.db2.gz POCICCOLOSWJTP-YKCBXCCJSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000268812435 443116941 /nfs/dbraw/zinc/11/69/41/443116941.db2.gz FHENGVSVUPXUAL-RHSMWYFYSA-N 2 1 333.432 1.751 20 0 EDADMP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000266427686 443124543 /nfs/dbraw/zinc/12/45/43/443124543.db2.gz HTKVXZYOKCDGCF-AWEZNQCLSA-N 2 1 344.459 1.470 20 0 EDADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000266427686 443124548 /nfs/dbraw/zinc/12/45/48/443124548.db2.gz HTKVXZYOKCDGCF-AWEZNQCLSA-N 2 1 344.459 1.470 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000261731523 443166822 /nfs/dbraw/zinc/16/68/22/443166822.db2.gz HSGKGKZFQGLUEG-IXDOHACOSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000261731523 443166826 /nfs/dbraw/zinc/16/68/26/443166826.db2.gz HSGKGKZFQGLUEG-IXDOHACOSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)C[C@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]1CCOCC1 ZINC000185297753 443179103 /nfs/dbraw/zinc/17/91/03/443179103.db2.gz OQEFJTJFKPVWIL-MRXNPFEDSA-N 2 1 328.501 1.326 20 0 EDADMP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000237756595 443181432 /nfs/dbraw/zinc/18/14/32/443181432.db2.gz MXCQUKIXLMYWPR-SFHVURJKSA-N 2 1 348.466 1.202 20 0 EDADMP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000237756595 443181437 /nfs/dbraw/zinc/18/14/37/443181437.db2.gz MXCQUKIXLMYWPR-SFHVURJKSA-N 2 1 348.466 1.202 20 0 EDADMP CC[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000236957187 443152761 /nfs/dbraw/zinc/15/27/61/443152761.db2.gz FWOGEHSPYVPDER-RBUKOAKNSA-N 2 1 345.487 1.708 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000245591564 443238600 /nfs/dbraw/zinc/23/86/00/443238600.db2.gz BCFBVPRGXQDMMW-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000245591564 443238605 /nfs/dbraw/zinc/23/86/05/443238605.db2.gz BCFBVPRGXQDMMW-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000245591564 443238609 /nfs/dbraw/zinc/23/86/09/443238609.db2.gz BCFBVPRGXQDMMW-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP CC(C)N1CCC[C@@H]([N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)C1=O ZINC000245607935 443240597 /nfs/dbraw/zinc/24/05/97/443240597.db2.gz KMXOEYMBCNWOFH-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)N1CCC[C@@H]([N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)C1=O ZINC000245607935 443240601 /nfs/dbraw/zinc/24/06/01/443240601.db2.gz KMXOEYMBCNWOFH-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH2+]C1 ZINC000269230680 443241376 /nfs/dbraw/zinc/24/13/76/443241376.db2.gz VQTNHZRGGDVZCZ-YTQUADARSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH2+]C1 ZINC000269230680 443241380 /nfs/dbraw/zinc/24/13/80/443241380.db2.gz VQTNHZRGGDVZCZ-YTQUADARSA-N 2 1 345.487 1.782 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C[NH2+]CC2CC2)[C@@H](c2ccccc2)C1 ZINC000262641531 443205196 /nfs/dbraw/zinc/20/51/96/443205196.db2.gz KXBGEWNHDJDYAR-LJQANCHMSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C[NH2+]CC2CC2)[C@@H](c2ccccc2)C1 ZINC000262641531 443205199 /nfs/dbraw/zinc/20/51/99/443205199.db2.gz KXBGEWNHDJDYAR-LJQANCHMSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C[NH2+]CC2CC2)[C@@H](c2ccccc2)C1 ZINC000262641531 443205202 /nfs/dbraw/zinc/20/52/02/443205202.db2.gz KXBGEWNHDJDYAR-LJQANCHMSA-N 2 1 344.503 1.481 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000185527699 443214455 /nfs/dbraw/zinc/21/44/55/443214455.db2.gz KXMSCVJOGLABJI-INIZCTEOSA-N 2 1 328.501 1.518 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397337090 319134343 /nfs/dbraw/zinc/13/43/43/319134343.db2.gz BJVCOJTVOQHKHE-KFWWJZLASA-N 2 1 327.469 1.552 20 0 EDADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1)C1CC1 ZINC000269252713 443252194 /nfs/dbraw/zinc/25/21/94/443252194.db2.gz QDWCMGBULQSXHE-SFHVURJKSA-N 2 1 341.459 1.012 20 0 EDADMP NC(=O)[C@]1(O)CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411713325 319198134 /nfs/dbraw/zinc/19/81/34/319198134.db2.gz AASQWRSURXDVOK-IBGZPJMESA-N 2 1 331.460 1.485 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H](c2ccccc2)O1 ZINC000414689610 319342835 /nfs/dbraw/zinc/34/28/35/319342835.db2.gz LDPUTMFFQTZYER-RYRKJORJSA-N 2 1 331.460 1.646 20 0 EDADMP C[C@@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000415083308 319345771 /nfs/dbraw/zinc/34/57/71/319345771.db2.gz PQOBVRZHJWIUHU-SJORKVTESA-N 2 1 333.476 1.485 20 0 EDADMP C[C@@H]1CNCCN1C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000415793359 319370723 /nfs/dbraw/zinc/37/07/23/319370723.db2.gz UJRMGPOWYYNWAL-SECBINFHSA-N 2 1 342.241 1.736 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC[N@H+]1C[C@@H](C)O ZINC000415972208 319386768 /nfs/dbraw/zinc/38/67/68/319386768.db2.gz MEXNWBPTWYQCOU-PBHICJAKSA-N 2 1 334.464 1.715 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000269278739 443264332 /nfs/dbraw/zinc/26/43/32/443264332.db2.gz ZEKJEEQEDKLZOZ-YOEHRIQHSA-N 2 1 333.432 1.334 20 0 EDADMP CC(C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000269282669 443266014 /nfs/dbraw/zinc/26/60/14/443266014.db2.gz GPBZYSSYVMEDDJ-MRXNPFEDSA-N 2 1 338.883 1.562 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@H]1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416942855 319481053 /nfs/dbraw/zinc/48/10/53/319481053.db2.gz SLYHFEZMRKOYJQ-OAGGEKHMSA-N 2 1 326.485 1.160 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000416944020 319481696 /nfs/dbraw/zinc/48/16/96/319481696.db2.gz CTIIRDCPGQJUAR-PVAVHDDUSA-N 2 1 340.512 1.502 20 0 EDADMP O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000186030491 443299959 /nfs/dbraw/zinc/29/99/59/443299959.db2.gz JMGPYMGBYTXTAF-SJLPKXTDSA-N 2 1 349.500 1.943 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000269690569 443398148 /nfs/dbraw/zinc/39/81/48/443398148.db2.gz WPBDAJAWCMYTJA-UNEWFSDZSA-N 2 1 346.475 1.696 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000278981068 443480513 /nfs/dbraw/zinc/48/05/13/443480513.db2.gz OWCLELMYUKLUKL-KGLIPLIRSA-N 2 1 348.472 1.704 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000278981065 443481029 /nfs/dbraw/zinc/48/10/29/443481029.db2.gz OWCLELMYUKLUKL-KBPBESRZSA-N 2 1 348.472 1.704 20 0 EDADMP CC(C)[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000264948946 443488418 /nfs/dbraw/zinc/48/84/18/443488418.db2.gz XQTOMVLLTUCQHT-IBGZPJMESA-N 2 1 346.519 1.750 20 0 EDADMP CC(C)[C@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H](C)[NH3+] ZINC000422926457 319737526 /nfs/dbraw/zinc/73/75/26/319737526.db2.gz DATNWBQOQPBOKP-HOTGVXAUSA-N 2 1 325.497 1.757 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423398215 319771720 /nfs/dbraw/zinc/77/17/20/319771720.db2.gz VDADGQWGEVHWIU-IPYPFGDCSA-N 2 1 325.478 1.728 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]([NH3+])[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000423649552 319797183 /nfs/dbraw/zinc/79/71/83/319797183.db2.gz PPHXSIBCNADYEH-CPUCHLNUSA-N 2 1 334.439 1.284 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000265295082 443598339 /nfs/dbraw/zinc/59/83/39/443598339.db2.gz IKMCNODGHBZUOF-AEFFLSMTSA-N 2 1 348.491 1.387 20 0 EDADMP Cc1nc2cncc(N3CC[NH+](CCCn4cc[nH+]c4C)CC3)n2n1 ZINC000434853986 320003823 /nfs/dbraw/zinc/00/38/23/320003823.db2.gz SHGHLXVRPFZFFP-UHFFFAOYSA-N 2 1 340.435 1.150 20 0 EDADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NC[C@H]3CCC[N@H+]3C)ccc21 ZINC000453648435 320266982 /nfs/dbraw/zinc/26/69/82/320266982.db2.gz STOSOTWSSWAUIQ-NVXWUHKLSA-N 2 1 344.459 1.384 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000457094842 320319515 /nfs/dbraw/zinc/31/95/15/320319515.db2.gz HSEXWEZSTDHZSR-ZHALLVOQSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000457094842 320319516 /nfs/dbraw/zinc/31/95/16/320319516.db2.gz HSEXWEZSTDHZSR-ZHALLVOQSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457094842 320319517 /nfs/dbraw/zinc/31/95/17/320319517.db2.gz HSEXWEZSTDHZSR-ZHALLVOQSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457094842 320319518 /nfs/dbraw/zinc/31/95/18/320319518.db2.gz HSEXWEZSTDHZSR-ZHALLVOQSA-N 2 1 345.487 1.280 20 0 EDADMP COCC[N@H+](C)CCCC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000457697030 320332177 /nfs/dbraw/zinc/33/21/77/320332177.db2.gz UZBWKYOBIHXDOE-UHFFFAOYSA-N 2 1 336.480 1.789 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000457697030 320332178 /nfs/dbraw/zinc/33/21/78/320332178.db2.gz UZBWKYOBIHXDOE-UHFFFAOYSA-N 2 1 336.480 1.789 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCCOCC2)[C@H](C)C1 ZINC000458853019 320343202 /nfs/dbraw/zinc/34/32/02/320343202.db2.gz VZBIFKFJEZYNON-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+]2CCCOCC2)[C@H](C)C1 ZINC000458853019 320343203 /nfs/dbraw/zinc/34/32/03/320343203.db2.gz VZBIFKFJEZYNON-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+]2CCCOCC2)[C@H](C)C1 ZINC000458853019 320343204 /nfs/dbraw/zinc/34/32/04/320343204.db2.gz VZBIFKFJEZYNON-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@H]1C ZINC000459273666 320345431 /nfs/dbraw/zinc/34/54/31/320345431.db2.gz YMBLUVJMWRTYPE-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@H]1C ZINC000459273666 320345432 /nfs/dbraw/zinc/34/54/32/320345432.db2.gz YMBLUVJMWRTYPE-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC000459273666 320345433 /nfs/dbraw/zinc/34/54/33/320345433.db2.gz YMBLUVJMWRTYPE-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC000459273666 320345434 /nfs/dbraw/zinc/34/54/34/320345434.db2.gz YMBLUVJMWRTYPE-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000479347463 320355174 /nfs/dbraw/zinc/35/51/74/320355174.db2.gz QZGDMULYXSXQNZ-WBVHZDCISA-N 2 1 340.512 1.205 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488395302 320358155 /nfs/dbraw/zinc/35/81/55/320358155.db2.gz HGMQDXMGADAOQK-HLLBOEOZSA-N 2 1 333.480 1.953 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488395302 320358156 /nfs/dbraw/zinc/35/81/56/320358156.db2.gz HGMQDXMGADAOQK-HLLBOEOZSA-N 2 1 333.480 1.953 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)CCC[NH3+])cc2F)CC1 ZINC000519648876 320469861 /nfs/dbraw/zinc/46/98/61/320469861.db2.gz VVLHLFKBGKAEFH-CQSZACIVSA-N 2 1 336.455 1.825 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)C1 ZINC000276595063 443759254 /nfs/dbraw/zinc/75/92/54/443759254.db2.gz FCADCBABZULJSI-YSVLISHTSA-N 2 1 333.432 1.069 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000288111934 443774818 /nfs/dbraw/zinc/77/48/18/443774818.db2.gz VPBFKADTSFWHDG-SZMVWBNQSA-N 2 1 348.491 1.119 20 0 EDADMP COc1cc(C[NH+]2CC[C@](C)(O)C2)cc(C[N@H+]2CC[C@](C)(O)C2)c1 ZINC000292751620 443835087 /nfs/dbraw/zinc/83/50/87/443835087.db2.gz WWPRYVSIJVRHCU-OALUTQOASA-N 2 1 334.460 1.609 20 0 EDADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000299355485 444026373 /nfs/dbraw/zinc/02/63/73/444026373.db2.gz IQPJBFQPXXARRO-QGZVFWFLSA-N 2 1 336.455 1.993 20 0 EDADMP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000299522840 444069701 /nfs/dbraw/zinc/06/97/01/444069701.db2.gz ZIQPQYTVVYDPNU-UHFFFAOYSA-N 2 1 346.519 1.781 20 0 EDADMP CN(c1ccccc1C[N@@H+](C)[C@@H]1COC[C@H]1O)C1CC[NH+](C)CC1 ZINC000289234805 444083550 /nfs/dbraw/zinc/08/35/50/444083550.db2.gz DHPIPXFIRQDFRC-RTBURBONSA-N 2 1 333.476 1.409 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000556957881 320997580 /nfs/dbraw/zinc/99/75/80/320997580.db2.gz NGDXHCKZEWQROZ-QGZVFWFLSA-N 2 1 332.448 1.435 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000282104029 444087411 /nfs/dbraw/zinc/08/74/11/444087411.db2.gz PKHFLDWQLLJANB-IBGZPJMESA-N 2 1 346.519 1.951 20 0 EDADMP Cc1cc(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000562811446 321077743 /nfs/dbraw/zinc/07/77/43/321077743.db2.gz STWOGDNBZOPYMQ-BBRMVZONSA-N 2 1 331.464 1.787 20 0 EDADMP CC[NH2+]CCCNC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000568288225 321286188 /nfs/dbraw/zinc/28/61/88/321286188.db2.gz XSFLHVVMJWCWRY-GOSISDBHSA-N 2 1 332.492 1.944 20 0 EDADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000570667315 321353388 /nfs/dbraw/zinc/35/33/88/321353388.db2.gz AKONHXMYLSOQEF-ABHNRTSZSA-N 2 1 349.523 1.083 20 0 EDADMP Cc1cc(NC(=O)CC[N@H+](C)CCCN(C)CC[NH+](C)C)no1 ZINC000289414000 444135735 /nfs/dbraw/zinc/13/57/35/444135735.db2.gz MAUNJYDTGBVDCX-UHFFFAOYSA-N 2 1 325.457 1.127 20 0 EDADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000289416880 444137140 /nfs/dbraw/zinc/13/71/40/444137140.db2.gz UHCZCBAZKXCTPW-LSDHHAIUSA-N 2 1 334.464 1.858 20 0 EDADMP CCN(CC)C(=O)[C@H](C)N1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000289416880 444137143 /nfs/dbraw/zinc/13/71/43/444137143.db2.gz UHCZCBAZKXCTPW-LSDHHAIUSA-N 2 1 334.464 1.858 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1Br ZINC000574683392 321495549 /nfs/dbraw/zinc/49/55/49/321495549.db2.gz HKNUVVDIHNAUCO-JTQLQIEISA-N 2 1 344.228 1.671 20 0 EDADMP CNC(=O)[C@@H](C[NH2+]C1CC[NH+](C)CC1)Cc1ccc(OC)c(F)c1 ZINC000576823204 321599527 /nfs/dbraw/zinc/59/95/27/321599527.db2.gz SOIIWHQUGUHPHR-CQSZACIVSA-N 2 1 337.439 1.423 20 0 EDADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303268818 444236049 /nfs/dbraw/zinc/23/60/49/444236049.db2.gz JBHXIKLMDLRQEV-GJZGRUSLSA-N 2 1 327.513 1.704 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000304294920 444245608 /nfs/dbraw/zinc/24/56/08/444245608.db2.gz FFTFCCVNCARGRZ-ZSYWTGECSA-N 2 1 339.524 1.264 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000316213356 444309544 /nfs/dbraw/zinc/30/95/44/444309544.db2.gz SSFRMWYISUNJHB-BZUAXINKSA-N 2 1 329.510 1.122 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCN2CCNC2=O)CC1 ZINC000290432962 444280229 /nfs/dbraw/zinc/28/02/29/444280229.db2.gz VETOITNMMGNOHU-UHFFFAOYSA-N 2 1 330.476 1.856 20 0 EDADMP COCCOC[C@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000311224347 444293089 /nfs/dbraw/zinc/29/30/89/444293089.db2.gz PDCDHPVRMMFOSM-HSALFYBXSA-N 2 1 348.487 1.464 20 0 EDADMP COCCOC[C@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311224347 444293092 /nfs/dbraw/zinc/29/30/92/444293092.db2.gz PDCDHPVRMMFOSM-HSALFYBXSA-N 2 1 348.487 1.464 20 0 EDADMP COCCOC[C@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311224347 444293094 /nfs/dbraw/zinc/29/30/94/444293094.db2.gz PDCDHPVRMMFOSM-HSALFYBXSA-N 2 1 348.487 1.464 20 0 EDADMP CC(C)[N@H+](C)CCN[C@@H](C)Cn1cc(Br)ccc1=O ZINC000340473649 444392245 /nfs/dbraw/zinc/39/22/45/444392245.db2.gz JTWFSPZYJNQUMG-LBPRGKRZSA-N 2 1 330.270 1.929 20 0 EDADMP CC(C)[N@@H+](C)CCN[C@@H](C)Cn1cc(Br)ccc1=O ZINC000340473649 444392248 /nfs/dbraw/zinc/39/22/48/444392248.db2.gz JTWFSPZYJNQUMG-LBPRGKRZSA-N 2 1 330.270 1.929 20 0 EDADMP CC[NH+]1CCN(CCC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000338048441 444499346 /nfs/dbraw/zinc/49/93/46/444499346.db2.gz DKOQOKQHWKMOLS-QGZVFWFLSA-N 2 1 338.540 1.641 20 0 EDADMP CCN1CC[NH+](CCC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000338048441 444499348 /nfs/dbraw/zinc/49/93/48/444499348.db2.gz DKOQOKQHWKMOLS-QGZVFWFLSA-N 2 1 338.540 1.641 20 0 EDADMP CCN1CC[NH+](CCC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000338048441 444499350 /nfs/dbraw/zinc/49/93/50/444499350.db2.gz DKOQOKQHWKMOLS-QGZVFWFLSA-N 2 1 338.540 1.641 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000580206619 322023920 /nfs/dbraw/zinc/02/39/20/322023920.db2.gz LOZAEFPLMBKVSS-UHFFFAOYSA-N 2 1 335.464 1.838 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000580832238 322101251 /nfs/dbraw/zinc/10/12/51/322101251.db2.gz TXPJSRDZJDTCGR-MPGHIAIKSA-N 2 1 334.464 1.048 20 0 EDADMP C[C@@H]1C[N@H+]([C@H]2CCCc3c2cnn3-c2ncccn2)C[C@@]1(C)C[NH3+] ZINC000581005935 322123406 /nfs/dbraw/zinc/12/34/06/322123406.db2.gz HOKYLNXYDJQXAV-QIIPPGSGSA-N 2 1 326.448 1.956 20 0 EDADMP CC[N@@H+]1CCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000581148487 322142521 /nfs/dbraw/zinc/14/25/21/322142521.db2.gz IRDKBYDNWCUKAZ-LPHOPBHVSA-N 2 1 331.460 1.176 20 0 EDADMP CC[N@H+]1CCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000581148487 322142523 /nfs/dbraw/zinc/14/25/23/322142523.db2.gz IRDKBYDNWCUKAZ-LPHOPBHVSA-N 2 1 331.460 1.176 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000581148487 322142526 /nfs/dbraw/zinc/14/25/26/322142526.db2.gz IRDKBYDNWCUKAZ-LPHOPBHVSA-N 2 1 331.460 1.176 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000581148487 322142529 /nfs/dbraw/zinc/14/25/29/322142529.db2.gz IRDKBYDNWCUKAZ-LPHOPBHVSA-N 2 1 331.460 1.176 20 0 EDADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000333010894 444628926 /nfs/dbraw/zinc/62/89/26/444628926.db2.gz SCEOCOMDHTVDNB-KZNAEPCWSA-N 2 1 335.492 1.497 20 0 EDADMP COCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cccs1 ZINC000338249793 444588017 /nfs/dbraw/zinc/58/80/17/444588017.db2.gz HSDSHRPNBBOHGS-UHFFFAOYSA-N 2 1 325.478 1.361 20 0 EDADMP COCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cccs1 ZINC000338249793 444588021 /nfs/dbraw/zinc/58/80/21/444588021.db2.gz HSDSHRPNBBOHGS-UHFFFAOYSA-N 2 1 325.478 1.361 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@H](C)O1 ZINC000333465164 444674127 /nfs/dbraw/zinc/67/41/27/444674127.db2.gz ZUXQCBNHVDKNFA-QXSJWSMHSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@H](C)O1 ZINC000333465164 444674133 /nfs/dbraw/zinc/67/41/33/444674133.db2.gz ZUXQCBNHVDKNFA-QXSJWSMHSA-N 2 1 338.496 1.268 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000341112842 444679685 /nfs/dbraw/zinc/67/96/85/444679685.db2.gz CANVZADKIOZKLD-IYBDPMFKSA-N 2 1 328.501 1.517 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341112842 444679688 /nfs/dbraw/zinc/67/96/88/444679688.db2.gz CANVZADKIOZKLD-IYBDPMFKSA-N 2 1 328.501 1.517 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000341112842 444679691 /nfs/dbraw/zinc/67/96/91/444679691.db2.gz CANVZADKIOZKLD-IYBDPMFKSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333123067 444640469 /nfs/dbraw/zinc/64/04/69/444640469.db2.gz ASIMQTWSLJHAQG-IEAZIUSSSA-N 2 1 336.480 1.007 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000342340364 444640621 /nfs/dbraw/zinc/64/06/21/444640621.db2.gz QIGKYEKJIVGIAQ-VQIMIIECSA-N 2 1 342.487 1.997 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000342340364 444640626 /nfs/dbraw/zinc/64/06/26/444640626.db2.gz QIGKYEKJIVGIAQ-VQIMIIECSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343878587 444641739 /nfs/dbraw/zinc/64/17/39/444641739.db2.gz PMGBZCNXPAEHFN-CYBMUJFWSA-N 2 1 331.432 1.883 20 0 EDADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)[C@@H]1C ZINC000333895164 444711660 /nfs/dbraw/zinc/71/16/60/444711660.db2.gz YCGKJWGHCFHDKK-ZKXLYKBJSA-N 2 1 349.519 1.628 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CC[N@H+]1C ZINC000341185953 444716016 /nfs/dbraw/zinc/71/60/16/444716016.db2.gz BYFHZENWWRSRRB-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC[NH+]1C ZINC000341185953 444716021 /nfs/dbraw/zinc/71/60/21/444716021.db2.gz BYFHZENWWRSRRB-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC[NH+]1C ZINC000341185953 444716026 /nfs/dbraw/zinc/71/60/26/444716026.db2.gz BYFHZENWWRSRRB-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000341185953 444716029 /nfs/dbraw/zinc/71/60/29/444716029.db2.gz BYFHZENWWRSRRB-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000341185953 444716034 /nfs/dbraw/zinc/71/60/34/444716034.db2.gz BYFHZENWWRSRRB-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1[NH3+] ZINC000333927609 444720711 /nfs/dbraw/zinc/72/07/11/444720711.db2.gz WOJPNUAOMWUAHX-HZPDHXFCSA-N 2 1 338.496 1.400 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@@H]12 ZINC000333941883 444724235 /nfs/dbraw/zinc/72/42/35/444724235.db2.gz PMBSPGZPKHGFCD-KZNAEPCWSA-N 2 1 328.460 1.423 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC[NH+](CC)CC)C[C@@H]1CC ZINC000342574047 444750903 /nfs/dbraw/zinc/75/09/03/444750903.db2.gz WHADTJUNIDJOHF-INIZCTEOSA-N 2 1 328.501 1.471 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000341275193 444757688 /nfs/dbraw/zinc/75/76/88/444757688.db2.gz CPAYOYVCGRYXDE-SJORKVTESA-N 2 1 346.475 1.135 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000341275193 444757692 /nfs/dbraw/zinc/75/76/92/444757692.db2.gz CPAYOYVCGRYXDE-SJORKVTESA-N 2 1 346.475 1.135 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000341275193 444757694 /nfs/dbraw/zinc/75/76/94/444757694.db2.gz CPAYOYVCGRYXDE-SJORKVTESA-N 2 1 346.475 1.135 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)c1ccccc1CC1CC[NH2+]CC1 ZINC000342646431 444794432 /nfs/dbraw/zinc/79/44/32/444794432.db2.gz GXJOBASRHZPGHY-UHFFFAOYSA-N 2 1 345.487 1.681 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC[NH+](C)[C@H](C)CC)C[C@@H]1CC ZINC000342658088 444800360 /nfs/dbraw/zinc/80/03/60/444800360.db2.gz PYGIJGQWHNFYOU-SJORKVTESA-N 2 1 342.528 1.859 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@H+](C)[C@H](C)CC)C[C@@H]1CC ZINC000342658088 444800363 /nfs/dbraw/zinc/80/03/63/444800363.db2.gz PYGIJGQWHNFYOU-SJORKVTESA-N 2 1 342.528 1.859 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+](C)[C@H](C)CC)C[C@@H]1CC ZINC000342658088 444800366 /nfs/dbraw/zinc/80/03/66/444800366.db2.gz PYGIJGQWHNFYOU-SJORKVTESA-N 2 1 342.528 1.859 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)CC[NH+]1CCCC1 ZINC000330003778 444807734 /nfs/dbraw/zinc/80/77/34/444807734.db2.gz ANSOEOJQFIMZBS-UHFFFAOYSA-N 2 1 330.436 1.390 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330011405 444810683 /nfs/dbraw/zinc/81/06/83/444810683.db2.gz IWQVPPRYALUREC-DOMZBBRYSA-N 2 1 344.463 1.777 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330011405 444810685 /nfs/dbraw/zinc/81/06/85/444810685.db2.gz IWQVPPRYALUREC-DOMZBBRYSA-N 2 1 344.463 1.777 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@@H](O)CC(F)(F)F ZINC000344157671 444812550 /nfs/dbraw/zinc/81/25/50/444812550.db2.gz WDYQHQQIYCDCCX-AWEZNQCLSA-N 2 1 325.419 1.649 20 0 EDADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000341420380 444819742 /nfs/dbraw/zinc/81/97/42/444819742.db2.gz IKCYLKOOZJNBHQ-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000342721437 444833891 /nfs/dbraw/zinc/83/38/91/444833891.db2.gz LXQOXHOKJVHRPI-ZWKOTPCHSA-N 2 1 337.508 1.678 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000342721437 444833895 /nfs/dbraw/zinc/83/38/95/444833895.db2.gz LXQOXHOKJVHRPI-ZWKOTPCHSA-N 2 1 337.508 1.678 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000342763677 444854067 /nfs/dbraw/zinc/85/40/67/444854067.db2.gz DBDZWPQHDPVZAD-ZACQAIPSSA-N 2 1 345.491 1.096 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1CC ZINC000338793559 444854207 /nfs/dbraw/zinc/85/42/07/444854207.db2.gz FQHXTBCMPXFHLR-QGZVFWFLSA-N 2 1 337.508 1.820 20 0 EDADMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[NH+](CC2CCCCC2)CC1 ZINC000342765403 444856393 /nfs/dbraw/zinc/85/63/93/444856393.db2.gz NVDADSUINRBRPA-HNNXBMFYSA-N 2 1 329.435 1.956 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000344253232 444864229 /nfs/dbraw/zinc/86/42/29/444864229.db2.gz NCPNWSCPFRZLCO-RDJZCZTQSA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330193448 444881528 /nfs/dbraw/zinc/88/15/28/444881528.db2.gz OEYWUSRJYGQPHR-MRXNPFEDSA-N 2 1 334.464 1.577 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000342896097 444925936 /nfs/dbraw/zinc/92/59/36/444925936.db2.gz UKJBVPOYPIFBTQ-GOEBONIOSA-N 2 1 334.464 1.643 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCC[N@H+]1C ZINC000344422458 444958416 /nfs/dbraw/zinc/95/84/16/444958416.db2.gz HCWUGBDNUWMBEC-YOEHRIQHSA-N 2 1 346.475 1.328 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000342906359 444933724 /nfs/dbraw/zinc/93/37/24/444933724.db2.gz ZWQUVTSPKCPUGZ-KSSFIOAISA-N 2 1 330.476 1.746 20 0 EDADMP CO[C@H]1C[C@H](CN(C)Cc2cn(-c3cc[nH+]cc3)nc2C)[N@@H+](C)C1 ZINC000344508756 445022245 /nfs/dbraw/zinc/02/22/45/445022245.db2.gz ZDJGYCJTLPBURX-MSOLQXFVSA-N 2 1 329.448 1.727 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000341882620 445051754 /nfs/dbraw/zinc/05/17/54/445051754.db2.gz JGRAGHUZRXPPLS-IRXDYDNUSA-N 2 1 325.497 1.439 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000341994220 445112165 /nfs/dbraw/zinc/11/21/65/445112165.db2.gz LHOXBVBHBBXMPZ-CABCVRRESA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000343177388 445118079 /nfs/dbraw/zinc/11/80/79/445118079.db2.gz KCFBQWAGEKAOJC-HOTGVXAUSA-N 2 1 340.512 1.071 20 0 EDADMP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342089583 445166060 /nfs/dbraw/zinc/16/60/60/445166060.db2.gz RWGNZJCGEDMWJG-UAGQMJEPSA-N 2 1 344.459 1.434 20 0 EDADMP CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342089583 445166065 /nfs/dbraw/zinc/16/60/65/445166065.db2.gz RWGNZJCGEDMWJG-UAGQMJEPSA-N 2 1 344.459 1.434 20 0 EDADMP COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000342097489 445170697 /nfs/dbraw/zinc/17/06/97/445170697.db2.gz HVPGHJXNATZXDK-CFVMTHIKSA-N 2 1 333.432 1.702 20 0 EDADMP COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000342097489 445170701 /nfs/dbraw/zinc/17/07/01/445170701.db2.gz HVPGHJXNATZXDK-CFVMTHIKSA-N 2 1 333.432 1.702 20 0 EDADMP O=C(C1CCC1)N(CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1CC1 ZINC000343273620 445172745 /nfs/dbraw/zinc/17/27/45/445172745.db2.gz VSFWJNRAIPWWQF-GUDVDZBRSA-N 2 1 349.519 1.914 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342105253 445174388 /nfs/dbraw/zinc/17/43/88/445174388.db2.gz ODWSBWOLKKDPCZ-FPSMNIFISA-N 2 1 337.508 1.757 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342105253 445174391 /nfs/dbraw/zinc/17/43/91/445174391.db2.gz ODWSBWOLKKDPCZ-FPSMNIFISA-N 2 1 337.508 1.757 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342114956 445179841 /nfs/dbraw/zinc/17/98/41/445179841.db2.gz XKSRWYRQRMUXEB-JKJDWNRSSA-N 2 1 336.480 1.450 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342114956 445179846 /nfs/dbraw/zinc/17/98/46/445179846.db2.gz XKSRWYRQRMUXEB-JKJDWNRSSA-N 2 1 336.480 1.450 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000339618196 445153201 /nfs/dbraw/zinc/15/32/01/445153201.db2.gz TUKBYMPUTDRBPZ-DJIMGWMZSA-N 2 1 346.475 1.004 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[N@H+]2CCC[C@H](C)C2)[NH+](C)C1 ZINC000346225540 445208909 /nfs/dbraw/zinc/20/89/09/445208909.db2.gz ZRRJSMLXWRXJTR-ARFHVFGLSA-N 2 1 326.485 1.079 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[NH+]2CCC[C@H](C)C2)[N@H+](C)C1 ZINC000346225540 445208910 /nfs/dbraw/zinc/20/89/10/445208910.db2.gz ZRRJSMLXWRXJTR-ARFHVFGLSA-N 2 1 326.485 1.079 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[NH+]2CCC[C@H](C)C2)[N@@H+](C)C1 ZINC000346225540 445208911 /nfs/dbraw/zinc/20/89/11/445208911.db2.gz ZRRJSMLXWRXJTR-ARFHVFGLSA-N 2 1 326.485 1.079 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)[NH+](C)C1 ZINC000346248459 445209157 /nfs/dbraw/zinc/20/91/57/445209157.db2.gz XCCOTWWMPYTOQV-YYIAUSFCSA-N 2 1 340.512 1.610 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)[N@H+](C)C1 ZINC000346248459 445209159 /nfs/dbraw/zinc/20/91/59/445209159.db2.gz XCCOTWWMPYTOQV-YYIAUSFCSA-N 2 1 340.512 1.610 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)[N@@H+](C)C1 ZINC000346248459 445209161 /nfs/dbraw/zinc/20/91/61/445209161.db2.gz XCCOTWWMPYTOQV-YYIAUSFCSA-N 2 1 340.512 1.610 20 0 EDADMP CCC[C@H]1CN(C(=O)NC[C@H]2CCC[NH+]2C)CC[N@H+]1CCOC ZINC000347064203 445230739 /nfs/dbraw/zinc/23/07/39/445230739.db2.gz FHIKECDBXCUQJZ-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH+]1CCOC ZINC000347064203 445230740 /nfs/dbraw/zinc/23/07/40/445230740.db2.gz FHIKECDBXCUQJZ-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C)CC[NH+]1CCOC ZINC000347064203 445230741 /nfs/dbraw/zinc/23/07/41/445230741.db2.gz FHIKECDBXCUQJZ-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000347519657 445240705 /nfs/dbraw/zinc/24/07/05/445240705.db2.gz QSUKPVIDAKBSQX-HOTGVXAUSA-N 2 1 326.485 1.221 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]1C(=O)OC ZINC000351779063 445318505 /nfs/dbraw/zinc/31/85/05/445318505.db2.gz JEOFMRTULKEJCY-OAGGEKHMSA-N 2 1 339.480 1.060 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@H+](C)C[C@@H]2CCCO2)cc[nH+]1 ZINC000348164490 445297559 /nfs/dbraw/zinc/29/75/59/445297559.db2.gz CWAIUKUZNVOLOK-KFWWJZLASA-N 2 1 337.443 1.570 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)C[C@@H]2CCCO2)cc[nH+]1 ZINC000348164490 445297560 /nfs/dbraw/zinc/29/75/60/445297560.db2.gz CWAIUKUZNVOLOK-KFWWJZLASA-N 2 1 337.443 1.570 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000351850808 445342756 /nfs/dbraw/zinc/34/27/56/445342756.db2.gz JJMOYKAACLHIES-HKUYNNGSSA-N 2 1 344.503 1.308 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000351850808 445342758 /nfs/dbraw/zinc/34/27/58/445342758.db2.gz JJMOYKAACLHIES-HKUYNNGSSA-N 2 1 344.503 1.308 20 0 EDADMP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C2CC2)cc1 ZINC000351860196 445345681 /nfs/dbraw/zinc/34/56/81/445345681.db2.gz IAHIQTJHXCMJSU-GDBMZVCRSA-N 2 1 331.460 1.855 20 0 EDADMP COc1ccc(CN(C(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C2CC2)cc1 ZINC000351860196 445345684 /nfs/dbraw/zinc/34/56/84/445345684.db2.gz IAHIQTJHXCMJSU-GDBMZVCRSA-N 2 1 331.460 1.855 20 0 EDADMP CC[C@H](C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1)[NH+](CC)CC ZINC000351805768 445328104 /nfs/dbraw/zinc/32/81/04/445328104.db2.gz XFUCUHMJMZVGCS-OAHLLOKOSA-N 2 1 348.495 1.312 20 0 EDADMP CC[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000354835946 445417366 /nfs/dbraw/zinc/41/73/66/445417366.db2.gz VSZIMVPMUHSNBM-LJQANCHMSA-N 2 1 347.503 1.860 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000359728725 445395999 /nfs/dbraw/zinc/39/59/99/445395999.db2.gz QGXQDKSMHSBWFZ-OAHLLOKOSA-N 2 1 349.479 1.115 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCOC3C[NH2+]C3)cc2)C1 ZINC000349004355 445472928 /nfs/dbraw/zinc/47/29/28/445472928.db2.gz RPGIAWHOKRMMPF-HNNXBMFYSA-N 2 1 347.459 1.724 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000348903972 445435822 /nfs/dbraw/zinc/43/58/22/445435822.db2.gz IXLYHANHJQTTER-UHFFFAOYSA-N 2 1 336.505 1.746 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000355588555 445469893 /nfs/dbraw/zinc/46/98/93/445469893.db2.gz BWSANGTYBOIXLW-IEBWSBKVSA-N 2 1 346.519 1.822 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](CCC)[NH2+]C(C)C)CC1 ZINC000352128381 445511152 /nfs/dbraw/zinc/51/11/52/445511152.db2.gz DBKGYUVXKQVSBR-MRXNPFEDSA-N 2 1 340.512 1.260 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000357382392 445556134 /nfs/dbraw/zinc/55/61/34/445556134.db2.gz CGRZLNKMCXLALX-NZSAHSFTSA-N 2 1 344.503 1.574 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000357382392 445556138 /nfs/dbraw/zinc/55/61/38/445556138.db2.gz CGRZLNKMCXLALX-NZSAHSFTSA-N 2 1 344.503 1.574 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362807069 445558395 /nfs/dbraw/zinc/55/83/95/445558395.db2.gz FSZFOIYFAOBKAQ-SJORKVTESA-N 2 1 345.491 1.802 20 0 EDADMP Cc1[nH+]ccc(N2CC[C@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c1Cl ZINC000357679189 445575713 /nfs/dbraw/zinc/57/57/13/445575713.db2.gz HHVFMOJQFNNVKC-LBPRGKRZSA-N 2 1 348.838 1.832 20 0 EDADMP C[C@@H]1[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCC12CCOCC2 ZINC000349234941 445541314 /nfs/dbraw/zinc/54/13/14/445541314.db2.gz FHHGBEFRBQNPGE-HNNXBMFYSA-N 2 1 335.492 1.620 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)C[NH+](C)C(C)C)C1 ZINC000358157251 445608382 /nfs/dbraw/zinc/60/83/82/445608382.db2.gz HDKAZAKKAHKEPF-HZPDHXFCSA-N 2 1 328.501 1.371 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)C1 ZINC000358157251 445608386 /nfs/dbraw/zinc/60/83/86/445608386.db2.gz HDKAZAKKAHKEPF-HZPDHXFCSA-N 2 1 328.501 1.371 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000358157251 445608389 /nfs/dbraw/zinc/60/83/89/445608389.db2.gz HDKAZAKKAHKEPF-HZPDHXFCSA-N 2 1 328.501 1.371 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C)[NH+]1CCOCC1 ZINC000353462085 445612794 /nfs/dbraw/zinc/61/27/94/445612794.db2.gz BWPRIWXPTPOGQS-SQNIBIBYSA-N 2 1 339.524 1.874 20 0 EDADMP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CSC[NH2+]1 ZINC000360175970 445613449 /nfs/dbraw/zinc/61/34/49/445613449.db2.gz PRGNYTDIGYATRN-MRXNPFEDSA-N 2 1 335.473 1.440 20 0 EDADMP COc1cccc(S(=O)(=O)CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358518950 445629548 /nfs/dbraw/zinc/62/95/48/445629548.db2.gz RYTPQTKCJFZIFK-UHFFFAOYSA-N 2 1 338.473 1.544 20 0 EDADMP COc1cccc(S(=O)(=O)CC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358518950 445629551 /nfs/dbraw/zinc/62/95/51/445629551.db2.gz RYTPQTKCJFZIFK-UHFFFAOYSA-N 2 1 338.473 1.544 20 0 EDADMP CO[C@@H](C[NH3+])C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000353514778 445637267 /nfs/dbraw/zinc/63/72/67/445637267.db2.gz LOACFSODZKRKBY-HNNXBMFYSA-N 2 1 325.840 1.348 20 0 EDADMP CO[C@@H](C[NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000353514778 445637272 /nfs/dbraw/zinc/63/72/72/445637272.db2.gz LOACFSODZKRKBY-HNNXBMFYSA-N 2 1 325.840 1.348 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000353537282 445647290 /nfs/dbraw/zinc/64/72/90/445647290.db2.gz WYWMOXBBBZNBRU-MOPGFXCFSA-N 2 1 345.487 1.769 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCC[C@@H](C)C1 ZINC000363010403 445648622 /nfs/dbraw/zinc/64/86/22/445648622.db2.gz LVZXQGDNWUHZQI-WCXIOVBPSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000363010403 445648626 /nfs/dbraw/zinc/64/86/26/445648626.db2.gz LVZXQGDNWUHZQI-WCXIOVBPSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[N@H+]1CCC[C@@H](C)C1 ZINC000363010403 445648632 /nfs/dbraw/zinc/64/86/32/445648632.db2.gz LVZXQGDNWUHZQI-WCXIOVBPSA-N 2 1 338.496 1.269 20 0 EDADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000353543342 445649879 /nfs/dbraw/zinc/64/98/79/445649879.db2.gz OWDBTYXBLCLUDX-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000363136371 445691398 /nfs/dbraw/zinc/69/13/98/445691398.db2.gz HQCJXRTXIBWQTK-HOTGVXAUSA-N 2 1 335.452 1.086 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000363136371 445691407 /nfs/dbraw/zinc/69/14/07/445691407.db2.gz HQCJXRTXIBWQTK-HOTGVXAUSA-N 2 1 335.452 1.086 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@H+]1CCOC ZINC000358662007 445699803 /nfs/dbraw/zinc/69/98/03/445699803.db2.gz IKKYLUQTWYUEGT-KRWDZBQOSA-N 2 1 338.496 1.391 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC[NH+]1CCOC ZINC000358662007 445699809 /nfs/dbraw/zinc/69/98/09/445699809.db2.gz IKKYLUQTWYUEGT-KRWDZBQOSA-N 2 1 338.496 1.391 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[N@@H+]2CC=C(C)CC2)CC[NH+]1CCOC ZINC000358662007 445699815 /nfs/dbraw/zinc/69/98/15/445699815.db2.gz IKKYLUQTWYUEGT-KRWDZBQOSA-N 2 1 338.496 1.391 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3nccs3)C2)CC1 ZINC000349918806 445720476 /nfs/dbraw/zinc/72/04/76/445720476.db2.gz CIIWFBBTLWDCTC-AWEZNQCLSA-N 2 1 336.505 1.923 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3nccs3)C2)CC1 ZINC000349918806 445720480 /nfs/dbraw/zinc/72/04/80/445720480.db2.gz CIIWFBBTLWDCTC-AWEZNQCLSA-N 2 1 336.505 1.923 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000353695240 445712601 /nfs/dbraw/zinc/71/26/01/445712601.db2.gz HTSRYLQMEOUOQU-IBGZPJMESA-N 2 1 345.487 1.461 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353588916 445669060 /nfs/dbraw/zinc/66/90/60/445669060.db2.gz OEPWJOMGRIRACT-RCCFBDPRSA-N 2 1 345.487 1.816 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000349963226 445736075 /nfs/dbraw/zinc/73/60/75/445736075.db2.gz IBBZXWLJIFATSP-HOTGVXAUSA-N 2 1 328.501 1.517 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)[nH+]c1 ZINC000363247777 445739128 /nfs/dbraw/zinc/73/91/28/445739128.db2.gz UYPRKNPXXQDOBH-MRXNPFEDSA-N 2 1 331.464 2.072 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)[nH+]c1 ZINC000363247777 445739131 /nfs/dbraw/zinc/73/91/31/445739131.db2.gz UYPRKNPXXQDOBH-MRXNPFEDSA-N 2 1 331.464 2.072 20 0 EDADMP C[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)[N@@H+](C)Cc1ccccc1 ZINC000349983923 445741524 /nfs/dbraw/zinc/74/15/24/445741524.db2.gz CLFCRURYARLKGE-INIZCTEOSA-N 2 1 341.459 1.735 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000363304851 445758924 /nfs/dbraw/zinc/75/89/24/445758924.db2.gz LGNRRGYASYHESF-YJBOKZPZSA-N 2 1 330.476 1.750 20 0 EDADMP C[C@H]1C[C@H](C(=O)NCc2ccncc2OCC[NH+](C)C)CC[N@H+]1C ZINC000356489197 445818666 /nfs/dbraw/zinc/81/86/66/445818666.db2.gz YJLXZIXRSDUDQO-LSDHHAIUSA-N 2 1 334.464 1.369 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@H](O)Cc3ccccc3)C2)CC1 ZINC000363481453 445823441 /nfs/dbraw/zinc/82/34/41/445823441.db2.gz SCGAIBIRDOCLMQ-VQTJNVASSA-N 2 1 331.504 1.549 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000358884730 445831371 /nfs/dbraw/zinc/83/13/71/445831371.db2.gz HXUTXKLGVMRZIJ-DLBZAZTESA-N 2 1 341.544 1.384 20 0 EDADMP CN(CCCN(C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)CC[NH+](C)C ZINC000358884730 445831377 /nfs/dbraw/zinc/83/13/77/445831377.db2.gz HXUTXKLGVMRZIJ-DLBZAZTESA-N 2 1 341.544 1.384 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361494398 445786938 /nfs/dbraw/zinc/78/69/38/445786938.db2.gz HCPGFZNSBAVSBA-FGTMMUONSA-N 2 1 338.540 1.782 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361494398 445786942 /nfs/dbraw/zinc/78/69/42/445786942.db2.gz HCPGFZNSBAVSBA-FGTMMUONSA-N 2 1 338.540 1.782 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361494398 445786947 /nfs/dbraw/zinc/78/69/47/445786947.db2.gz HCPGFZNSBAVSBA-FGTMMUONSA-N 2 1 338.540 1.782 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000353887480 445798664 /nfs/dbraw/zinc/79/86/64/445798664.db2.gz JMTOEEXJFHRMEK-LSDHHAIUSA-N 2 1 347.463 1.405 20 0 EDADMP C[C@@H](C(=O)NCc1ccncc1OCC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000356459290 445801769 /nfs/dbraw/zinc/80/17/69/445801769.db2.gz OARQOGFFROTOLH-XHSDSOJGSA-N 2 1 348.491 1.900 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000350671311 445877969 /nfs/dbraw/zinc/87/79/69/445877969.db2.gz WNPPKZIDFHQSEE-UHFFFAOYSA-N 2 1 336.480 1.748 20 0 EDADMP CCn1nc(C)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000354041017 445870757 /nfs/dbraw/zinc/87/07/57/445870757.db2.gz QJYISPMMNGCMEG-KXBFYZLASA-N 2 1 333.524 1.978 20 0 EDADMP CCn1nc(C)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000354041017 445870759 /nfs/dbraw/zinc/87/07/59/445870759.db2.gz QJYISPMMNGCMEG-KXBFYZLASA-N 2 1 333.524 1.978 20 0 EDADMP CC[NH+](CC)[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)CC(C)C ZINC000354048889 445874453 /nfs/dbraw/zinc/87/44/53/445874453.db2.gz RIDCXDORCBTIGF-MRXNPFEDSA-N 2 1 335.496 2.482 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000359085915 445934131 /nfs/dbraw/zinc/93/41/31/445934131.db2.gz BWSIQTIRDPGKKT-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000356639744 445904466 /nfs/dbraw/zinc/90/44/66/445904466.db2.gz HIJUVYBXAMLWKH-WBVHZDCISA-N 2 1 325.497 1.866 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000356639744 445904471 /nfs/dbraw/zinc/90/44/71/445904471.db2.gz HIJUVYBXAMLWKH-WBVHZDCISA-N 2 1 325.497 1.866 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000356639744 445904477 /nfs/dbraw/zinc/90/44/77/445904477.db2.gz HIJUVYBXAMLWKH-WBVHZDCISA-N 2 1 325.497 1.866 20 0 EDADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365921979 445907620 /nfs/dbraw/zinc/90/76/20/445907620.db2.gz CUZGYARCSDGNTB-LTIDMASMSA-N 2 1 336.480 1.118 20 0 EDADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000365921979 445907626 /nfs/dbraw/zinc/90/76/26/445907626.db2.gz CUZGYARCSDGNTB-LTIDMASMSA-N 2 1 336.480 1.118 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@]2([NH+](C)C)CCc3ccccc32)C1 ZINC000369170451 445967128 /nfs/dbraw/zinc/96/71/28/445967128.db2.gz UEKXJWJQYOCBEB-APWZRJJASA-N 2 1 331.460 1.227 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@]2([NH+](C)C)CCc3ccccc32)C1 ZINC000369170451 445967133 /nfs/dbraw/zinc/96/71/33/445967133.db2.gz UEKXJWJQYOCBEB-APWZRJJASA-N 2 1 331.460 1.227 20 0 EDADMP CN(C[C@@H]1CC2(CC2)C(=O)O1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000373010108 445973292 /nfs/dbraw/zinc/97/32/92/445973292.db2.gz BGPQXXNLXIKBIA-FXAWDEMLSA-N 2 1 344.455 1.651 20 0 EDADMP C[NH+](C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000356747916 445985968 /nfs/dbraw/zinc/98/59/68/445985968.db2.gz XLRRLKWBFUTYOZ-SFHVURJKSA-N 2 1 345.487 1.593 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000369198308 445986482 /nfs/dbraw/zinc/98/64/82/445986482.db2.gz WLZQMLAVLXYARQ-QGZVFWFLSA-N 2 1 331.464 1.251 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000369198308 445986485 /nfs/dbraw/zinc/98/64/85/445986485.db2.gz WLZQMLAVLXYARQ-QGZVFWFLSA-N 2 1 331.464 1.251 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)[C@H](C)C1 ZINC000361876295 446033411 /nfs/dbraw/zinc/03/34/11/446033411.db2.gz DRIQFPPZPUHKMW-SJORKVTESA-N 3 1 327.513 1.170 20 0 EDADMP CCOCCCN1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)[C@H](C)C1 ZINC000361876295 446033417 /nfs/dbraw/zinc/03/34/17/446033417.db2.gz DRIQFPPZPUHKMW-SJORKVTESA-N 2 1 327.513 1.170 20 0 EDADMP CC[C@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@H+](C)Cc1ccccc1 ZINC000354245650 446040718 /nfs/dbraw/zinc/04/07/18/446040718.db2.gz WANSDDDLVVOKDE-GOSISDBHSA-N 2 1 347.503 1.812 20 0 EDADMP CC[C@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000354245650 446040729 /nfs/dbraw/zinc/04/07/29/446040729.db2.gz WANSDDDLVVOKDE-GOSISDBHSA-N 2 1 347.503 1.812 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000354252027 446046832 /nfs/dbraw/zinc/04/68/32/446046832.db2.gz BYNLIZARDNGKMS-IAGOWNOFSA-N 2 1 345.491 1.389 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000354252027 446046836 /nfs/dbraw/zinc/04/68/36/446046836.db2.gz BYNLIZARDNGKMS-IAGOWNOFSA-N 2 1 345.491 1.389 20 0 EDADMP CC(C)[N@@H+]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000351213382 446009753 /nfs/dbraw/zinc/00/97/53/446009753.db2.gz KCOOOWFCZZNPOP-INIZCTEOSA-N 2 1 326.485 1.080 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000351213382 446009756 /nfs/dbraw/zinc/00/97/56/446009756.db2.gz KCOOOWFCZZNPOP-INIZCTEOSA-N 2 1 326.485 1.080 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH2+]CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000373139469 446054925 /nfs/dbraw/zinc/05/49/25/446054925.db2.gz OHHFJHDADCQITK-IXDOHACOSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH2+]CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000373139469 446054929 /nfs/dbraw/zinc/05/49/29/446054929.db2.gz OHHFJHDADCQITK-IXDOHACOSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000583801520 326141709 /nfs/dbraw/zinc/14/17/09/326141709.db2.gz OGNXLAIKIPLRAE-QRQLOZEOSA-N 2 1 344.503 1.930 20 0 EDADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)COC2CCOCC2)c1 ZINC000583807468 326143588 /nfs/dbraw/zinc/14/35/88/326143588.db2.gz MXGCIHBHGKVDGJ-SFHVURJKSA-N 2 1 336.476 1.784 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000584122980 326204480 /nfs/dbraw/zinc/20/44/80/326204480.db2.gz HRVSEGQFSLARLV-CVEARBPZSA-N 2 1 333.476 1.318 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000584122980 326204481 /nfs/dbraw/zinc/20/44/81/326204481.db2.gz HRVSEGQFSLARLV-CVEARBPZSA-N 2 1 333.476 1.318 20 0 EDADMP CC[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000354273367 446069562 /nfs/dbraw/zinc/06/95/62/446069562.db2.gz LGFKSZUDVBGLMO-SQNIBIBYSA-N 2 1 337.508 1.820 20 0 EDADMP CC[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000354273367 446069564 /nfs/dbraw/zinc/06/95/64/446069564.db2.gz LGFKSZUDVBGLMO-SQNIBIBYSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351475253 446076723 /nfs/dbraw/zinc/07/67/23/446076723.db2.gz IGORFNQZFYUACW-GBESFXJTSA-N 2 1 345.487 1.897 20 0 EDADMP CC(C)OCc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351475253 446076728 /nfs/dbraw/zinc/07/67/28/446076728.db2.gz IGORFNQZFYUACW-GBESFXJTSA-N 2 1 345.487 1.897 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000351478106 446079636 /nfs/dbraw/zinc/07/96/36/446079636.db2.gz OVOOWAPJYQYVCA-MKVSYHDVSA-N 2 1 349.450 1.850 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000365210011 446081008 /nfs/dbraw/zinc/08/10/08/446081008.db2.gz YMZJWLWAPRNTPK-INIZCTEOSA-N 2 1 349.479 1.382 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCCc3nc4ccccc4s3)C[C@H]12 ZINC000351481645 446082109 /nfs/dbraw/zinc/08/21/09/446082109.db2.gz XWXFVXWXIQLAHI-HZSPNIEDSA-N 2 1 344.484 1.624 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCCc3nc4ccccc4s3)C[C@H]12 ZINC000351481645 446082114 /nfs/dbraw/zinc/08/21/14/446082114.db2.gz XWXFVXWXIQLAHI-HZSPNIEDSA-N 2 1 344.484 1.624 20 0 EDADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@@H](O)CN3CCCC3=O)C2)c1 ZINC000365223683 446087150 /nfs/dbraw/zinc/08/71/50/446087150.db2.gz KGXFCKGYJANSNV-HZPDHXFCSA-N 2 1 332.448 1.107 20 0 EDADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@@H](O)CN3CCCC3=O)C2)c1 ZINC000365223683 446087152 /nfs/dbraw/zinc/08/71/52/446087152.db2.gz KGXFCKGYJANSNV-HZPDHXFCSA-N 2 1 332.448 1.107 20 0 EDADMP CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N(C)CC[NH+]1CCCC1 ZINC000354295438 446090750 /nfs/dbraw/zinc/09/07/50/446090750.db2.gz ISDATHWIXQHQHE-INIZCTEOSA-N 2 1 349.479 1.037 20 0 EDADMP CN(CCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000351491372 446093737 /nfs/dbraw/zinc/09/37/37/446093737.db2.gz JUDVXQIWZGCKRM-SZMVWBNQSA-N 2 1 330.476 1.298 20 0 EDADMP CN(CCCNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000351491372 446093744 /nfs/dbraw/zinc/09/37/44/446093744.db2.gz JUDVXQIWZGCKRM-SZMVWBNQSA-N 2 1 330.476 1.298 20 0 EDADMP C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCC[N@@H+](C)C1CC1 ZINC000369437870 446120303 /nfs/dbraw/zinc/12/03/03/446120303.db2.gz QNNCHVGCFYECDV-QZTJIDSGSA-N 2 1 330.476 1.998 20 0 EDADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000351560024 446158755 /nfs/dbraw/zinc/15/87/55/446158755.db2.gz VLUDYHQSURNDJW-KRWDZBQOSA-N 2 1 346.475 1.011 20 0 EDADMP Cc1ccc(F)cc1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000359365174 446176108 /nfs/dbraw/zinc/17/61/08/446176108.db2.gz VLPPMQHNZNIJOF-UHFFFAOYSA-N 2 1 349.450 1.801 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)C[C@@H]1CC ZINC000370020489 446176113 /nfs/dbraw/zinc/17/61/13/446176113.db2.gz UAJABSLKLYLYKB-FGTMMUONSA-N 2 1 337.508 1.820 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C[C@@H]1CC ZINC000370020489 446176118 /nfs/dbraw/zinc/17/61/18/446176118.db2.gz UAJABSLKLYLYKB-FGTMMUONSA-N 2 1 337.508 1.820 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C[C@@H]1CC ZINC000370020489 446176122 /nfs/dbraw/zinc/17/61/22/446176122.db2.gz UAJABSLKLYLYKB-FGTMMUONSA-N 2 1 337.508 1.820 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000359372203 446180795 /nfs/dbraw/zinc/18/07/95/446180795.db2.gz HDOMBEJLGBRNNO-KRWDZBQOSA-N 2 1 328.460 1.581 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359372203 446180798 /nfs/dbraw/zinc/18/07/98/446180798.db2.gz HDOMBEJLGBRNNO-KRWDZBQOSA-N 2 1 328.460 1.581 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000359372203 446180809 /nfs/dbraw/zinc/18/08/09/446180809.db2.gz HDOMBEJLGBRNNO-KRWDZBQOSA-N 2 1 328.460 1.581 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)CC[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC000366387681 446185469 /nfs/dbraw/zinc/18/54/69/446185469.db2.gz BWEQGSMRDTZQBH-ARFHVFGLSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369665818 446144956 /nfs/dbraw/zinc/14/49/56/446144956.db2.gz SYJYVHZVSNTEHW-HOCLYGCPSA-N 2 1 346.479 1.850 20 0 EDADMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000366329567 446155440 /nfs/dbraw/zinc/15/54/40/446155440.db2.gz YHYWEAOXTOGBSZ-SWLSCSKDSA-N 2 1 340.493 1.014 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@H+]1C1CC1 ZINC000370280296 446211411 /nfs/dbraw/zinc/21/14/11/446211411.db2.gz FMRLYJSKMTTYEQ-OAGGEKHMSA-N 2 1 349.523 1.079 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000370280296 446211416 /nfs/dbraw/zinc/21/14/16/446211416.db2.gz FMRLYJSKMTTYEQ-OAGGEKHMSA-N 2 1 349.523 1.079 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000370280296 446211427 /nfs/dbraw/zinc/21/14/27/446211427.db2.gz FMRLYJSKMTTYEQ-OAGGEKHMSA-N 2 1 349.523 1.079 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000370280296 446211432 /nfs/dbraw/zinc/21/14/32/446211432.db2.gz FMRLYJSKMTTYEQ-OAGGEKHMSA-N 2 1 349.523 1.079 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000370280296 446211436 /nfs/dbraw/zinc/21/14/36/446211436.db2.gz FMRLYJSKMTTYEQ-OAGGEKHMSA-N 2 1 349.523 1.079 20 0 EDADMP CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)C1(C)C ZINC000351623200 446217270 /nfs/dbraw/zinc/21/72/70/446217270.db2.gz HORXXPNBTGKGSN-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H](CNC(=O)[C@]1([NH+](C)C)CCOc2ccccc21)[N@H+](C)C1CC1 ZINC000365536129 446244823 /nfs/dbraw/zinc/24/48/23/446244823.db2.gz IVPWWMGHSFAOAF-KUHUBIRLSA-N 2 1 331.460 1.825 20 0 EDADMP C[C@H](CNC(=O)[C@]1([NH+](C)C)CCOc2ccccc21)[N@@H+](C)C1CC1 ZINC000365536129 446244829 /nfs/dbraw/zinc/24/48/29/446244829.db2.gz IVPWWMGHSFAOAF-KUHUBIRLSA-N 2 1 331.460 1.825 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000373509074 446242517 /nfs/dbraw/zinc/24/25/17/446242517.db2.gz KWPFFHJRMGPJET-INIZCTEOSA-N 2 1 333.480 1.768 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000373509074 446242520 /nfs/dbraw/zinc/24/25/20/446242520.db2.gz KWPFFHJRMGPJET-INIZCTEOSA-N 2 1 333.480 1.768 20 0 EDADMP [NH3+]Cc1nc(-c2ccc(NC(=O)C[C@H]3CCC[NH2+]CC3)cc2)n[nH]1 ZINC000365557270 446254350 /nfs/dbraw/zinc/25/43/50/446254350.db2.gz NTKRYDXYKZETAT-LBPRGKRZSA-N 2 1 328.420 1.649 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000366581065 446267591 /nfs/dbraw/zinc/26/75/91/446267591.db2.gz WUQKZHISYAFPIO-IEBWSBKVSA-N 2 1 348.535 1.489 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000366581065 446267594 /nfs/dbraw/zinc/26/75/94/446267594.db2.gz WUQKZHISYAFPIO-IEBWSBKVSA-N 2 1 348.535 1.489 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000366581065 446267597 /nfs/dbraw/zinc/26/75/97/446267597.db2.gz WUQKZHISYAFPIO-IEBWSBKVSA-N 2 1 348.535 1.489 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000417338913 446347097 /nfs/dbraw/zinc/34/70/97/446347097.db2.gz KVAARTMCUNUJIV-OAGGEKHMSA-N 2 1 330.476 1.825 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000366713981 446320092 /nfs/dbraw/zinc/32/00/92/446320092.db2.gz OEWSOSUNPVTSTM-SFHVURJKSA-N 2 1 333.476 1.686 20 0 EDADMP COC[C@@H](C)OC[C@H](O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000365738354 446323263 /nfs/dbraw/zinc/32/32/63/446323263.db2.gz PKIBXFKAINEHNE-GDBMZVCRSA-N 2 1 325.453 1.087 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[NH+](C)CC1 ZINC000366722092 446323568 /nfs/dbraw/zinc/32/35/68/446323568.db2.gz JZZGLOMBEYKHCK-AEFFLSMTSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CC[NH+](C)CC1 ZINC000366722092 446323572 /nfs/dbraw/zinc/32/35/72/446323572.db2.gz JZZGLOMBEYKHCK-AEFFLSMTSA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCO[C@@H]4CCC[C@H]43)cn2)CC1 ZINC000374117251 446353712 /nfs/dbraw/zinc/35/37/12/446353712.db2.gz AWKSGJQRZAAUAL-IAGOWNOFSA-N 2 1 331.464 1.372 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCO[C@@H]4CCC[C@H]43)cn2)CC1 ZINC000374117251 446353716 /nfs/dbraw/zinc/35/37/16/446353716.db2.gz AWKSGJQRZAAUAL-IAGOWNOFSA-N 2 1 331.464 1.372 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000410911462 446354361 /nfs/dbraw/zinc/35/43/61/446354361.db2.gz QZOGETWUSVRUCL-UHFFFAOYSA-N 2 1 349.479 1.306 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000417515605 446359751 /nfs/dbraw/zinc/35/97/51/446359751.db2.gz LKYFGOMEBFDRCA-SJLPKXTDSA-N 2 1 348.491 1.699 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417717547 446370657 /nfs/dbraw/zinc/37/06/57/446370657.db2.gz VFCJMZSSRBWGOM-IRXDYDNUSA-N 2 1 334.464 1.487 20 0 EDADMP CC[C@H](NC(=O)N(C)CC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417901042 446381765 /nfs/dbraw/zinc/38/17/65/446381765.db2.gz VQLSJNLATIOYFA-IRXDYDNUSA-N 2 1 334.464 1.266 20 0 EDADMP CC[C@H](NC(=O)N(C)CC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417901042 446381769 /nfs/dbraw/zinc/38/17/69/446381769.db2.gz VQLSJNLATIOYFA-IRXDYDNUSA-N 2 1 334.464 1.266 20 0 EDADMP COCCC[N@@H+](C)CCN[C@@H]1CC[NH+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370682225 446384449 /nfs/dbraw/zinc/38/44/49/446384449.db2.gz MXOIGBMRNRXOKK-RCCFBDPRSA-N 2 1 327.513 1.434 20 0 EDADMP COCCC[NH+](C)CCN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370682225 446384451 /nfs/dbraw/zinc/38/44/51/446384451.db2.gz MXOIGBMRNRXOKK-RCCFBDPRSA-N 2 1 327.513 1.434 20 0 EDADMP COCCC[NH+](C)CCN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370682225 446384457 /nfs/dbraw/zinc/38/44/57/446384457.db2.gz MXOIGBMRNRXOKK-RCCFBDPRSA-N 2 1 327.513 1.434 20 0 EDADMP C[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000431793030 446433869 /nfs/dbraw/zinc/43/38/69/446433869.db2.gz FRHRGDKFCXPLIT-AEFFLSMTSA-N 2 1 333.476 1.764 20 0 EDADMP COC(=O)[C@@H]1CCC[NH+]1CCC(C)CC[N@@H+]1CCC[C@H]1C(=O)OC ZINC000411238657 446437953 /nfs/dbraw/zinc/43/79/53/446437953.db2.gz PLXCUJFCYLUGSB-HOTGVXAUSA-N 2 1 340.464 1.678 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)C1CC1 ZINC000411239973 446440346 /nfs/dbraw/zinc/44/03/46/446440346.db2.gz GYOYEJULRSGFGL-UHFFFAOYSA-N 2 1 346.475 1.596 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418100228 446440969 /nfs/dbraw/zinc/44/09/69/446440969.db2.gz DFMXTPDFVSYRNT-GBESFXJTSA-N 2 1 342.487 1.759 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000418132016 446441162 /nfs/dbraw/zinc/44/11/62/446441162.db2.gz DJPBSXFTURZSSY-ROUUACIJSA-N 2 1 330.476 1.948 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000418138616 446442430 /nfs/dbraw/zinc/44/24/30/446442430.db2.gz JJKJTJURKLUGGE-ZWKOTPCHSA-N 2 1 330.476 1.934 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000370736487 446408782 /nfs/dbraw/zinc/40/87/82/446408782.db2.gz DGSWCEBQQNGBLN-SJORKVTESA-N 2 1 344.459 1.430 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCN3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423205859 446454062 /nfs/dbraw/zinc/45/40/62/446454062.db2.gz PVBJFJIWCVQKIV-HKBOAZHASA-N 3 1 342.531 1.924 20 0 EDADMP c1ccc(CN2CC[C@H]([NH2+]CCN3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423205859 446454068 /nfs/dbraw/zinc/45/40/68/446454068.db2.gz PVBJFJIWCVQKIV-HKBOAZHASA-N 2 1 342.531 1.924 20 0 EDADMP Cc1cc(CNC(=O)N(C)C2CC[NH2+]CC2)cc(N2CCCC2)[nH+]1 ZINC000418203646 446455354 /nfs/dbraw/zinc/45/53/54/446455354.db2.gz WANKMKUQQUDHBT-UHFFFAOYSA-N 2 1 331.464 1.884 20 0 EDADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000418229869 446466277 /nfs/dbraw/zinc/46/62/77/446466277.db2.gz DJTJWAPZPYEEPZ-GOSISDBHSA-N 2 1 330.476 1.904 20 0 EDADMP C[NH2+]CC1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000420305155 446467863 /nfs/dbraw/zinc/46/78/63/446467863.db2.gz YSAJVCZMTTUUIC-SFHVURJKSA-N 2 1 332.492 1.337 20 0 EDADMP CC[C@@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000370844661 446476574 /nfs/dbraw/zinc/47/65/74/446476574.db2.gz DJENMTWXINBHLV-QFBILLFUSA-N 2 1 344.459 1.465 20 0 EDADMP CC[C@@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000370844661 446476583 /nfs/dbraw/zinc/47/65/83/446476583.db2.gz DJENMTWXINBHLV-QFBILLFUSA-N 2 1 344.459 1.465 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418191099 446453808 /nfs/dbraw/zinc/45/38/08/446453808.db2.gz KCFFFHBMRUBHJF-JSGCOSHPSA-N 2 1 326.391 1.543 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000418191099 446453813 /nfs/dbraw/zinc/45/38/13/446453813.db2.gz KCFFFHBMRUBHJF-JSGCOSHPSA-N 2 1 326.391 1.543 20 0 EDADMP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420317231 446483919 /nfs/dbraw/zinc/48/39/19/446483919.db2.gz ZAZZCMYBQCGJDX-CWRNSKLLSA-N 2 1 345.443 1.495 20 0 EDADMP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420317231 446483922 /nfs/dbraw/zinc/48/39/22/446483922.db2.gz ZAZZCMYBQCGJDX-CWRNSKLLSA-N 2 1 345.443 1.495 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000420324123 446489501 /nfs/dbraw/zinc/48/95/01/446489501.db2.gz ZFHSSCLOJXEWSU-ACJLOTCBSA-N 2 1 333.432 1.149 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000420324123 446489505 /nfs/dbraw/zinc/48/95/05/446489505.db2.gz ZFHSSCLOJXEWSU-ACJLOTCBSA-N 2 1 333.432 1.149 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC1([NH3+])CCCCC1 ZINC000418302013 446491361 /nfs/dbraw/zinc/49/13/61/446491361.db2.gz ZOKOPNFVTVOIRV-UHFFFAOYSA-N 2 1 327.517 1.173 20 0 EDADMP CN(CCCN(C)C(=O)NCC1([NH3+])CCCCC1)CC[NH+](C)C ZINC000418302013 446491368 /nfs/dbraw/zinc/49/13/68/446491368.db2.gz ZOKOPNFVTVOIRV-UHFFFAOYSA-N 2 1 327.517 1.173 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 ZINC000423362450 446502123 /nfs/dbraw/zinc/50/21/23/446502123.db2.gz HVSHOKBJBDRJJL-VBQJREDUSA-N 2 1 327.419 1.754 20 0 EDADMP COc1cc(C[NH+]2C[C@@H](C)[C@@H](O)C2)cc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1 ZINC000432781461 446503361 /nfs/dbraw/zinc/50/33/61/446503361.db2.gz RKCPEZQPVVMBNH-BZUPMSHVSA-N 2 1 334.460 1.320 20 0 EDADMP COc1cc(C[NH+]2C[C@H](C)[C@H](O)C2)cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1 ZINC000432781461 446503367 /nfs/dbraw/zinc/50/33/67/446503367.db2.gz RKCPEZQPVVMBNH-BZUPMSHVSA-N 2 1 334.460 1.320 20 0 EDADMP COc1cc(C[NH+]2C[C@H](C)[C@H](O)C2)cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1 ZINC000432781461 446503373 /nfs/dbraw/zinc/50/33/73/446503373.db2.gz RKCPEZQPVVMBNH-BZUPMSHVSA-N 2 1 334.460 1.320 20 0 EDADMP Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nc12 ZINC000420334466 446504066 /nfs/dbraw/zinc/50/40/66/446504066.db2.gz GLJBVHPSAXQZME-HOTGVXAUSA-N 2 1 326.444 1.824 20 0 EDADMP CC(C)[C@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H](C)[NH3+] ZINC000423374217 446507574 /nfs/dbraw/zinc/50/75/74/446507574.db2.gz IBTMPSUGBIOKCL-MHORFTMASA-N 2 1 338.540 1.623 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420342310 446513022 /nfs/dbraw/zinc/51/30/22/446513022.db2.gz PGNADXYOAYYVJC-IAGOWNOFSA-N 2 1 331.460 1.633 20 0 EDADMP Cn1cc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000423392130 446515136 /nfs/dbraw/zinc/51/51/36/446515136.db2.gz XLXNHRQHPYLWTB-CABCVRRESA-N 2 1 345.491 1.634 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343875 446515745 /nfs/dbraw/zinc/51/57/45/446515745.db2.gz RQCKBHQNDOVLKA-FVQBIDKESA-N 2 1 344.459 1.434 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418325326 446498367 /nfs/dbraw/zinc/49/83/67/446498367.db2.gz IVPOHVRMPVCFFL-KRWDZBQOSA-N 2 1 333.480 1.545 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423358921 446499419 /nfs/dbraw/zinc/49/94/19/446499419.db2.gz OGRBWXZUJLYAOP-XLMAVXFVSA-N 2 1 337.508 1.722 20 0 EDADMP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420344265 446516818 /nfs/dbraw/zinc/51/68/18/446516818.db2.gz SIMSKRXCVQECSL-JKSUJKDBSA-N 2 1 344.459 1.905 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000418370098 446518034 /nfs/dbraw/zinc/51/80/34/446518034.db2.gz OUXLYKHUYFJLNZ-KRWDZBQOSA-N 2 1 347.507 1.306 20 0 EDADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000420346446 446519286 /nfs/dbraw/zinc/51/92/86/446519286.db2.gz CVIXWJTYOBKGRP-SJORKVTESA-N 2 1 330.476 1.610 20 0 EDADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000420346446 446519294 /nfs/dbraw/zinc/51/92/94/446519294.db2.gz CVIXWJTYOBKGRP-SJORKVTESA-N 2 1 330.476 1.610 20 0 EDADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000420346443 446519931 /nfs/dbraw/zinc/51/99/31/446519931.db2.gz CVIXWJTYOBKGRP-DLBZAZTESA-N 2 1 330.476 1.610 20 0 EDADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000420346443 446519937 /nfs/dbraw/zinc/51/99/37/446519937.db2.gz CVIXWJTYOBKGRP-DLBZAZTESA-N 2 1 330.476 1.610 20 0 EDADMP O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346775 446521819 /nfs/dbraw/zinc/52/18/19/446521819.db2.gz DNVSBWJAIDLFIG-MSOLQXFVSA-N 2 1 346.450 1.125 20 0 EDADMP O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346775 446521824 /nfs/dbraw/zinc/52/18/24/446521824.db2.gz DNVSBWJAIDLFIG-MSOLQXFVSA-N 2 1 346.450 1.125 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418381658 446523165 /nfs/dbraw/zinc/52/31/65/446523165.db2.gz MGIGBNIWZHXYLF-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418403258 446531433 /nfs/dbraw/zinc/53/14/33/446531433.db2.gz BSXDYKORPGGMJI-HUUCEWRRSA-N 2 1 326.485 1.256 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418403258 446531439 /nfs/dbraw/zinc/53/14/39/446531439.db2.gz BSXDYKORPGGMJI-HUUCEWRRSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000411426933 446536445 /nfs/dbraw/zinc/53/64/45/446536445.db2.gz NRNFGFKEPILCCE-KRWDZBQOSA-N 2 1 332.492 1.607 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433389180 446567402 /nfs/dbraw/zinc/56/74/02/446567402.db2.gz WVFAGKAVZULAPQ-HUUCEWRRSA-N 2 1 334.468 1.007 20 0 EDADMP C[N@@H+](CCCn1ccnc1)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000411432181 446539660 /nfs/dbraw/zinc/53/96/60/446539660.db2.gz YMOLYYMIWNBMDQ-UHFFFAOYSA-N 2 1 330.388 1.963 20 0 EDADMP C[C@H](CC[NH+]1CCSC[C@H]1CO)CC[N@H+]1CCSC[C@@H]1CO ZINC000411432963 446539760 /nfs/dbraw/zinc/53/97/60/446539760.db2.gz XBLNCIXVLSKVCN-PHZGNYQRSA-N 2 1 348.578 1.222 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423449044 446542924 /nfs/dbraw/zinc/54/29/24/446542924.db2.gz VVWBWNVDVBAPSM-LSDHHAIUSA-N 2 1 333.480 1.823 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCn2cc(Br)ccc2=O)CC[N@H+]1C ZINC000453258489 446551898 /nfs/dbraw/zinc/55/18/98/446551898.db2.gz WGGJAOPQQTVZBF-YPMHNXCESA-N 2 1 328.254 1.683 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H](CN)C1CCCCC1)c1ccccc1 ZINC000420379598 446555558 /nfs/dbraw/zinc/55/55/58/446555558.db2.gz XRONQGLLEXSQSS-OALUTQOASA-N 2 1 346.519 1.903 20 0 EDADMP COCc1cccc(CNC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420399317 446573696 /nfs/dbraw/zinc/57/36/96/446573696.db2.gz NVUPCHNNWAXJLT-OALUTQOASA-N 2 1 345.487 1.913 20 0 EDADMP COCc1cccc(CNC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420399317 446573699 /nfs/dbraw/zinc/57/36/99/446573699.db2.gz NVUPCHNNWAXJLT-OALUTQOASA-N 2 1 345.487 1.913 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)NCCCN(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420404596 446578698 /nfs/dbraw/zinc/57/86/98/446578698.db2.gz MHNSJSJSWGMTSD-IRXDYDNUSA-N 2 1 332.492 1.546 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420404596 446578702 /nfs/dbraw/zinc/57/87/02/446578702.db2.gz MHNSJSJSWGMTSD-IRXDYDNUSA-N 2 1 332.492 1.546 20 0 EDADMP CN(C(=O)NCC(F)(F)C[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418539133 446587021 /nfs/dbraw/zinc/58/70/21/446587021.db2.gz MLLJEILLWZBVLL-OAHLLOKOSA-N 2 1 340.418 1.886 20 0 EDADMP CN(C(=O)NCC(F)(F)C[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418539133 446587025 /nfs/dbraw/zinc/58/70/25/446587025.db2.gz MLLJEILLWZBVLL-OAHLLOKOSA-N 2 1 340.418 1.886 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000418587660 446603405 /nfs/dbraw/zinc/60/34/05/446603405.db2.gz GYUSWPRIXSBZGE-AEFFLSMTSA-N 2 1 330.476 1.902 20 0 EDADMP COC[C@]1(CNC(=O)NCC[N@H+]2CCCC(C)(C)C2)CCC[NH2+]1 ZINC000418658006 446637054 /nfs/dbraw/zinc/63/70/54/446637054.db2.gz SCQUPXFSMMSCMK-QGZVFWFLSA-N 2 1 326.485 1.176 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCO)[C@H]2CCCSC2)CC1 ZINC000411665583 446638251 /nfs/dbraw/zinc/63/82/51/446638251.db2.gz KYMIMAGDKMDQOR-INIZCTEOSA-N 2 1 343.537 1.165 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418665166 446640922 /nfs/dbraw/zinc/64/09/22/446640922.db2.gz BXZMHGRYCKEAMI-QQXKLLMISA-N 2 1 340.471 1.368 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418680356 446645481 /nfs/dbraw/zinc/64/54/81/446645481.db2.gz FZIOQEFFQSOQQV-RCCFBDPRSA-N 2 1 330.476 1.724 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@H]2CC23CC[NH2+]CC3)c2ccccc2)CC1 ZINC000368139548 446663172 /nfs/dbraw/zinc/66/31/72/446663172.db2.gz IEDFGWDRMLWENB-ROUUACIJSA-N 2 1 342.487 1.233 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)[nH+]c1 ZINC000368140444 446664736 /nfs/dbraw/zinc/66/47/36/446664736.db2.gz AZIMOHJPVIMEDF-MRXNPFEDSA-N 2 1 328.460 1.865 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]CC3CC3)CC2)cc1 ZINC000423739862 446671258 /nfs/dbraw/zinc/67/12/58/446671258.db2.gz WQDDRLAEAXASCG-UHFFFAOYSA-N 2 1 331.460 1.729 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]CC3CC3)CC2)cc1 ZINC000423739862 446671260 /nfs/dbraw/zinc/67/12/60/446671260.db2.gz WQDDRLAEAXASCG-UHFFFAOYSA-N 2 1 331.460 1.729 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)[C@H]2C1 ZINC000418628214 446621501 /nfs/dbraw/zinc/62/15/01/446621501.db2.gz BVFHLBYZCGYQDO-NJAFHUGGSA-N 2 1 328.460 1.609 20 0 EDADMP Cn1cc(CC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000371094177 446624492 /nfs/dbraw/zinc/62/44/92/446624492.db2.gz OFULMWULPUBEAE-UHFFFAOYSA-N 2 1 347.507 1.275 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCC2(COC)CC[NH2+]CC2)C[C@@H]1C ZINC000418641775 446628269 /nfs/dbraw/zinc/62/82/69/446628269.db2.gz QJSHBCSPJVGZLS-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000376651034 446629648 /nfs/dbraw/zinc/62/96/48/446629648.db2.gz JCJPMXWTVCXZMQ-BMGDILEWSA-N 2 1 331.460 1.400 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000418769264 446688368 /nfs/dbraw/zinc/68/83/68/446688368.db2.gz TUUYEOPRZFQBAB-KRWDZBQOSA-N 2 1 339.528 1.044 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)cn1 ZINC000418778651 446697405 /nfs/dbraw/zinc/69/74/05/446697405.db2.gz AOMJOCRDMCCKIQ-WBVHZDCISA-N 2 1 348.495 1.248 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)cn1 ZINC000418778651 446697414 /nfs/dbraw/zinc/69/74/14/446697414.db2.gz AOMJOCRDMCCKIQ-WBVHZDCISA-N 2 1 348.495 1.248 20 0 EDADMP CCO[C@H]1C[C@]([NH3+])(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1(C)C ZINC000423798626 446698572 /nfs/dbraw/zinc/69/85/72/446698572.db2.gz JFKRGTFRKLWWNX-VKJFTORMSA-N 2 1 325.497 1.756 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@]2([NH+](C)C)CCCSC2)CC[N@@H+]1CCOC ZINC000371230474 446704723 /nfs/dbraw/zinc/70/47/23/446704723.db2.gz RBPCPWLKZQQFGW-DOTOQJQBSA-N 2 1 343.537 1.383 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@]2([NH+](C)C)CCCSC2)CC[N@H+]1CCOC ZINC000371230474 446704726 /nfs/dbraw/zinc/70/47/26/446704726.db2.gz RBPCPWLKZQQFGW-DOTOQJQBSA-N 2 1 343.537 1.383 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(c3nc(C)nc(N(C)C)n3)CC2)CC1 ZINC000420627950 446709540 /nfs/dbraw/zinc/70/95/40/446709540.db2.gz OFQDCQIJQLAFFU-UHFFFAOYSA-N 2 1 347.511 1.242 20 0 EDADMP CCN1CCC([N@H+]2CCCN(c3nc(C)nc(N(C)C)n3)CC2)CC1 ZINC000420627950 446709546 /nfs/dbraw/zinc/70/95/46/446709546.db2.gz OFQDCQIJQLAFFU-UHFFFAOYSA-N 2 1 347.511 1.242 20 0 EDADMP C[C@@H](NC(=O)CCOC1C[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423882860 446740120 /nfs/dbraw/zinc/74/01/20/446740120.db2.gz XINCXCKDQLKARK-NVXWUHKLSA-N 2 1 331.460 1.392 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH+]1CCOCC1 ZINC000376819140 446737791 /nfs/dbraw/zinc/73/77/91/446737791.db2.gz PVNHCRSDXINOFM-ROUUACIJSA-N 2 1 337.508 1.581 20 0 EDADMP C[C@H]1C[C@@H](CCNC(=O)COC2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000423902826 446754677 /nfs/dbraw/zinc/75/46/77/446754677.db2.gz MMGXVNBSINBXCK-DOTOQJQBSA-N 2 1 331.460 1.392 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](O)C1CCCCC1 ZINC000437826976 446762627 /nfs/dbraw/zinc/76/26/27/446762627.db2.gz FCZHLRJAYWSRFF-ROUUACIJSA-N 2 1 339.524 1.802 20 0 EDADMP C[N@H+]1CCCC[C@H]1CCN1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000375390624 446766877 /nfs/dbraw/zinc/76/68/77/446766877.db2.gz HQJCXSUNNKGUIP-SJORKVTESA-N 2 1 343.537 1.102 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000418945521 446817571 /nfs/dbraw/zinc/81/75/71/446817571.db2.gz PSGHXXKKNVTXPQ-KRWDZBQOSA-N 2 1 348.491 1.066 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCCO1 ZINC000424019519 446827046 /nfs/dbraw/zinc/82/70/46/446827046.db2.gz KGXVOVTVKRWEHG-IRXDYDNUSA-N 2 1 335.423 1.366 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCCO1 ZINC000424019519 446827055 /nfs/dbraw/zinc/82/70/55/446827055.db2.gz KGXVOVTVKRWEHG-IRXDYDNUSA-N 2 1 335.423 1.366 20 0 EDADMP CO[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000368427001 446857177 /nfs/dbraw/zinc/85/71/77/446857177.db2.gz PRIWRNVGVIPPGC-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP [NH3+]C[C@H](C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000424259594 446865895 /nfs/dbraw/zinc/86/58/95/446865895.db2.gz AMXUKQUTLQBTSZ-IAGOWNOFSA-N 3 1 348.466 1.012 20 0 EDADMP [NH3+]C[C@H](C[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1)c1ccc(F)cc1 ZINC000424259594 446865900 /nfs/dbraw/zinc/86/59/00/446865900.db2.gz AMXUKQUTLQBTSZ-IAGOWNOFSA-N 2 1 348.466 1.012 20 0 EDADMP [NH3+]C[C@H](C[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1)c1ccc(F)cc1 ZINC000424259594 446865902 /nfs/dbraw/zinc/86/59/02/446865902.db2.gz AMXUKQUTLQBTSZ-IAGOWNOFSA-N 2 1 348.466 1.012 20 0 EDADMP COC(=O)[C@@]1(C)CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000412111419 446867303 /nfs/dbraw/zinc/86/73/03/446867303.db2.gz VXCLYCBCQOYMGA-SFHVURJKSA-N 2 1 339.480 1.251 20 0 EDADMP CC(=O)N1CC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc2C1 ZINC000371493794 446891923 /nfs/dbraw/zinc/89/19/23/446891923.db2.gz UITRWGZGCXZNPR-FQEVSTJZSA-N 2 1 345.487 1.916 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCC[C@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000442613281 446915356 /nfs/dbraw/zinc/91/53/56/446915356.db2.gz BGJMBUGLTFQAFO-NVXWUHKLSA-N 2 1 325.497 1.711 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000442767190 446959367 /nfs/dbraw/zinc/95/93/67/446959367.db2.gz YAOCDWKITMHGTP-ZBFHGGJFSA-N 2 1 336.505 1.061 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000442767190 446959372 /nfs/dbraw/zinc/95/93/72/446959372.db2.gz YAOCDWKITMHGTP-ZBFHGGJFSA-N 2 1 336.505 1.061 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000442779470 446964575 /nfs/dbraw/zinc/96/45/75/446964575.db2.gz LNUYMEUYDYJPCW-AAEUAGOBSA-N 2 1 327.375 1.573 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000442779470 446964581 /nfs/dbraw/zinc/96/45/81/446964581.db2.gz LNUYMEUYDYJPCW-AAEUAGOBSA-N 2 1 327.375 1.573 20 0 EDADMP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442776995 446965852 /nfs/dbraw/zinc/96/58/52/446965852.db2.gz IAHXIHDETVBTMX-FMKPAKJESA-N 2 1 347.459 1.174 20 0 EDADMP COC(=O)c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cn1C ZINC000375744028 447015753 /nfs/dbraw/zinc/01/57/53/447015753.db2.gz QBIUDUSEXLYIDT-AWEZNQCLSA-N 2 1 335.448 1.402 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000420995929 446973798 /nfs/dbraw/zinc/97/37/98/446973798.db2.gz AJVCNAGSGXUDDS-IIAWOOMASA-N 2 1 326.481 1.741 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000420995929 446973803 /nfs/dbraw/zinc/97/38/03/446973803.db2.gz AJVCNAGSGXUDDS-IIAWOOMASA-N 2 1 326.481 1.741 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000420995929 446973810 /nfs/dbraw/zinc/97/38/10/446973810.db2.gz AJVCNAGSGXUDDS-IIAWOOMASA-N 2 1 326.481 1.741 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000420995929 446973814 /nfs/dbraw/zinc/97/38/14/446973814.db2.gz AJVCNAGSGXUDDS-IIAWOOMASA-N 2 1 326.481 1.741 20 0 EDADMP CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCC[N@@H+]1C ZINC000420995639 446974791 /nfs/dbraw/zinc/97/47/91/446974791.db2.gz DSIWYCOFDDENQC-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCC[N@H+]1C ZINC000420995639 446974797 /nfs/dbraw/zinc/97/47/97/446974797.db2.gz DSIWYCOFDDENQC-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP OCC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421017461 446987734 /nfs/dbraw/zinc/98/77/34/446987734.db2.gz NGFPGIQRBUFRKZ-REPLKXPHSA-N 2 1 342.524 1.316 20 0 EDADMP OCC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCC[C@H](CCO)CC2)CC1 ZINC000421017461 446987740 /nfs/dbraw/zinc/98/77/40/446987740.db2.gz NGFPGIQRBUFRKZ-REPLKXPHSA-N 2 1 342.524 1.316 20 0 EDADMP OCC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCC[C@H](CCO)CC2)CC1 ZINC000421017461 446987745 /nfs/dbraw/zinc/98/77/45/446987745.db2.gz NGFPGIQRBUFRKZ-REPLKXPHSA-N 2 1 342.524 1.316 20 0 EDADMP C[C@H](C(=O)N1CC[NH+]([C@H]2CCSC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000372102489 447001208 /nfs/dbraw/zinc/00/12/08/447001208.db2.gz OTUGGPMNWTZGRS-BHYGNILZSA-N 2 1 333.501 1.972 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443059138 447002231 /nfs/dbraw/zinc/00/22/31/447002231.db2.gz MCIAXKLYNWTZEH-OAHLLOKOSA-N 2 1 349.475 1.723 20 0 EDADMP CCCS(=O)(=O)CCN1CC[C@@H](CNc2cc(C)ccn2)C1 ZINC000375807848 447066871 /nfs/dbraw/zinc/06/68/71/447066871.db2.gz CZXUTVQBHCOGGO-HNNXBMFYSA-N 2 1 325.478 1.949 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCc2cnc3n2CCCC3)C[C@@H]1C ZINC000377325777 447067129 /nfs/dbraw/zinc/06/71/29/447067129.db2.gz WKCLYKZJKJCNCH-AWEZNQCLSA-N 2 1 335.452 1.082 20 0 EDADMP O[C@H]1C[NH+](Cc2cccc(C[N@@H+]3C[C@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000368787440 447104948 /nfs/dbraw/zinc/10/49/48/447104948.db2.gz VXQGFBBQEPVBIM-ROUUACIJSA-N 2 1 328.456 1.600 20 0 EDADMP CCOC(C)(C)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000444131143 447077568 /nfs/dbraw/zinc/07/75/68/447077568.db2.gz XAGAYYFHYSMSJY-MRXNPFEDSA-N 2 1 342.528 1.859 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(=O)[nH]n3)C2)nc(C)[nH+]1 ZINC000375851995 447098703 /nfs/dbraw/zinc/09/87/03/447098703.db2.gz MUEUOYKYYAVPCO-OCCSQVGLSA-N 2 1 328.420 1.909 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCc3ccccc3)C2)CC1 ZINC000375908889 447141200 /nfs/dbraw/zinc/14/12/00/447141200.db2.gz ZQPYZLDYHBKSGI-IBGZPJMESA-N 2 1 344.503 1.403 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCc3ccccc3)C2)CC1 ZINC000375908889 447141209 /nfs/dbraw/zinc/14/12/09/447141209.db2.gz ZQPYZLDYHBKSGI-IBGZPJMESA-N 2 1 344.503 1.403 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C2)c1 ZINC000377532359 447187352 /nfs/dbraw/zinc/18/73/52/447187352.db2.gz UZDXAXNCNCULDL-HNNXBMFYSA-N 2 1 332.448 1.419 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000377536795 447188868 /nfs/dbraw/zinc/18/88/68/447188868.db2.gz WYZSGTNYQUEABA-IRXDYDNUSA-N 2 1 347.459 1.295 20 0 EDADMP c1cn([C@H]2CCC[N@H+](Cc3ccc(CN4CCOCC4)cc3)C2)nn1 ZINC000425504285 447199942 /nfs/dbraw/zinc/19/99/42/447199942.db2.gz KPZZYPRGZGUBBU-IBGZPJMESA-N 2 1 341.459 1.947 20 0 EDADMP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000414312688 447291184 /nfs/dbraw/zinc/29/11/84/447291184.db2.gz NZFQVZNYPWFJKP-OLZOCXBDSA-N 2 1 343.880 1.704 20 0 EDADMP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000414312688 447291186 /nfs/dbraw/zinc/29/11/86/447291186.db2.gz NZFQVZNYPWFJKP-OLZOCXBDSA-N 2 1 343.880 1.704 20 0 EDADMP CCOC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000377631655 447257401 /nfs/dbraw/zinc/25/74/01/447257401.db2.gz WDDOKEMBDHDFNB-UHFFFAOYSA-N 2 1 349.475 1.916 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)COC2(C)C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000379681204 447454214 /nfs/dbraw/zinc/45/42/14/447454214.db2.gz PQQHWMHOZZIOFH-NVXWUHKLSA-N 2 1 331.460 1.534 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000458707006 447457980 /nfs/dbraw/zinc/45/79/80/447457980.db2.gz OFQVCOQKYOAOHG-SJORKVTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1CCCO)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000458707006 447457984 /nfs/dbraw/zinc/45/79/84/447457984.db2.gz OFQVCOQKYOAOHG-SJORKVTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1CCCO)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000458707006 447457987 /nfs/dbraw/zinc/45/79/87/447457987.db2.gz OFQVCOQKYOAOHG-SJORKVTESA-N 2 1 338.496 1.149 20 0 EDADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H](C)C[NH3+])c2C1 ZINC000415506535 447485398 /nfs/dbraw/zinc/48/53/98/447485398.db2.gz BDAMXTMFAHCGID-ZIAGYGMSSA-N 2 1 346.475 1.696 20 0 EDADMP O=C(CN1CC[NH2+]CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000391015707 447508742 /nfs/dbraw/zinc/50/87/42/447508742.db2.gz YGJYOXNZQRESDR-YQQQUEKLSA-N 2 1 342.487 1.203 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CCCC1 ZINC000457436738 447580840 /nfs/dbraw/zinc/58/08/40/447580840.db2.gz KFPYTXYPMAXDMV-OAHLLOKOSA-N 2 1 326.485 1.007 20 0 EDADMP CCc1cc(CCC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)on1 ZINC000450654342 447549919 /nfs/dbraw/zinc/54/99/19/447549919.db2.gz QXUXQODQUCINDZ-UHFFFAOYSA-N 2 1 337.464 1.329 20 0 EDADMP C[N@@H+](CCCCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000459153809 447597449 /nfs/dbraw/zinc/59/74/49/447597449.db2.gz JTSIORWIONPEKU-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP CNC(=O)OC[C@H]1CCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000495838106 447602245 /nfs/dbraw/zinc/60/22/45/447602245.db2.gz SFCUDSXOJRAKEV-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000420122910 447616362 /nfs/dbraw/zinc/61/63/62/447616362.db2.gz LGKWIQDSHKWHSP-XKQJLSEDSA-N 2 1 344.459 1.018 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000459254036 447622133 /nfs/dbraw/zinc/62/21/33/447622133.db2.gz HPRJLHQQQHTXKE-IAGOWNOFSA-N 2 1 338.496 1.082 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495908445 447634926 /nfs/dbraw/zinc/63/49/26/447634926.db2.gz BOOAEJSDLFMMQW-QAPCUYQASA-N 2 1 336.480 1.134 20 0 EDADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCc1cc(C)nc(C)c1 ZINC000422585420 447655009 /nfs/dbraw/zinc/65/50/09/447655009.db2.gz CNPPGKQQBKSLIE-IRXDYDNUSA-N 2 1 344.459 1.400 20 0 EDADMP COCC[NH2+]CCNc1cc[nH+]c(N[C@H]2CCCO[C@H]2C(C)C)n1 ZINC000420220885 447676310 /nfs/dbraw/zinc/67/63/10/447676310.db2.gz WQJVZKFPXDIPNQ-HOCLYGCPSA-N 2 1 337.468 1.740 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)[NH+]1CCOCC1 ZINC000416941479 447719010 /nfs/dbraw/zinc/71/90/10/447719010.db2.gz QLQCWUKWJGGOBL-INIZCTEOSA-N 2 1 326.485 1.114 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000416944416 447720365 /nfs/dbraw/zinc/72/03/65/447720365.db2.gz UZVXUSAGFKFIRL-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000416955504 447726035 /nfs/dbraw/zinc/72/60/35/447726035.db2.gz VQYZSCAUZSCVDL-QKPAOTATSA-N 2 1 326.485 1.302 20 0 EDADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000422730443 447732026 /nfs/dbraw/zinc/73/20/26/447732026.db2.gz FANZMGCZETXYSX-HNNXBMFYSA-N 2 1 325.478 1.605 20 0 EDADMP c1ccc(CN2CCN(CCC[NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000422831951 447763174 /nfs/dbraw/zinc/76/31/74/447763174.db2.gz KJVMYPGARLZCEI-HXUWFJFHSA-N 2 1 330.520 1.926 20 0 EDADMP CC(C)[C@](C)(CN)[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000430555631 447777686 /nfs/dbraw/zinc/77/76/86/447777686.db2.gz SOILJAAGELDOAE-FQEVSTJZSA-N 2 1 346.519 1.862 20 0 EDADMP CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)[C@@H]1CCCCN1 ZINC000422963777 447782506 /nfs/dbraw/zinc/78/25/06/447782506.db2.gz JLYMXEXSUMHREY-IRXDYDNUSA-N 2 1 345.553 1.947 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000423029084 447793696 /nfs/dbraw/zinc/79/36/96/447793696.db2.gz HPVBKYHKJWJYTG-AABGKKOBSA-N 2 1 345.487 1.110 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000489326858 447854777 /nfs/dbraw/zinc/85/47/77/447854777.db2.gz KPOLEOCXRHTBML-SJORKVTESA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[C@H](C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000569814197 447897888 /nfs/dbraw/zinc/89/78/88/447897888.db2.gz TXVPXYWMCPWCHP-WMZOPIPTSA-N 2 1 332.492 1.544 20 0 EDADMP CN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000576037963 447956216 /nfs/dbraw/zinc/95/62/16/447956216.db2.gz IZTGIHNVZFNOKR-SJLPKXTDSA-N 2 1 348.466 1.139 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[N@@H+]1CCOC ZINC000576043768 447957332 /nfs/dbraw/zinc/95/73/32/447957332.db2.gz ZZSVYRPBSLFWEW-MHORFTMASA-N 2 1 337.508 1.866 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[N@H+]1CCOC ZINC000576043768 447957338 /nfs/dbraw/zinc/95/73/38/447957338.db2.gz ZZSVYRPBSLFWEW-MHORFTMASA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000525191189 447975557 /nfs/dbraw/zinc/97/55/57/447975557.db2.gz HKVAQUYIQWPDOA-CYBMUJFWSA-N 2 1 340.431 1.300 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[NH+]1CC(C)C1 ZINC000553555832 447995959 /nfs/dbraw/zinc/99/59/59/447995959.db2.gz CLZSUSMTABMBRY-IEBWSBKVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[NH+]1CC(C)C1 ZINC000553555832 447995962 /nfs/dbraw/zinc/99/59/62/447995962.db2.gz CLZSUSMTABMBRY-IEBWSBKVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000576211661 447999800 /nfs/dbraw/zinc/99/98/00/447999800.db2.gz UGEONEBNXUUMEB-BPQIPLTHSA-N 2 1 345.491 1.025 20 0 EDADMP CN1C[C@H]([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1=O ZINC000570407942 448007231 /nfs/dbraw/zinc/00/72/31/448007231.db2.gz QDEWHUKUKOPUDP-GOSISDBHSA-N 2 1 331.460 1.571 20 0 EDADMP CN1C[C@H]([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1=O ZINC000570407942 448007235 /nfs/dbraw/zinc/00/72/35/448007235.db2.gz QDEWHUKUKOPUDP-GOSISDBHSA-N 2 1 331.460 1.571 20 0 EDADMP CC[C@H](C)NC(=O)c1cccc(CNC[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000576321656 448025902 /nfs/dbraw/zinc/02/59/02/448025902.db2.gz RRKDOFVAHOYDOR-KSSFIOAISA-N 2 1 333.476 1.760 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496925005 448041920 /nfs/dbraw/zinc/04/19/20/448041920.db2.gz NFIXLZNJDHSEAP-IJEWVQPXSA-N 2 1 341.496 1.725 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496925005 448041925 /nfs/dbraw/zinc/04/19/25/448041925.db2.gz NFIXLZNJDHSEAP-IJEWVQPXSA-N 2 1 341.496 1.725 20 0 EDADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531293687 448056605 /nfs/dbraw/zinc/05/66/05/448056605.db2.gz GVCWFZDBIITQFA-HXUWFJFHSA-N 2 1 345.487 1.424 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)[N@@H+](C)C1 ZINC000501047577 448090762 /nfs/dbraw/zinc/09/07/62/448090762.db2.gz SZQYPRDGPPAGJC-QAETUUGQSA-N 2 1 340.512 1.610 20 0 EDADMP CCOCC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000571158353 448113012 /nfs/dbraw/zinc/11/30/12/448113012.db2.gz FYYUMEQBKARHGQ-MOPGFXCFSA-N 2 1 336.476 1.655 20 0 EDADMP CCOCC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000571158353 448113017 /nfs/dbraw/zinc/11/30/17/448113017.db2.gz FYYUMEQBKARHGQ-MOPGFXCFSA-N 2 1 336.476 1.655 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000531964812 448176518 /nfs/dbraw/zinc/17/65/18/448176518.db2.gz OXAKAPLAKPMGDI-CDHAZOANSA-N 2 1 330.432 1.171 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)C[N@H+]1Cc1ccccc1 ZINC000571625461 448181028 /nfs/dbraw/zinc/18/10/28/448181028.db2.gz CSOJQAIPNJHKDI-NXHRZFHOSA-N 2 1 346.475 1.327 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C[NH3+])C2)[C@@H](C)C1 ZINC000577047284 448199844 /nfs/dbraw/zinc/19/98/44/448199844.db2.gz QNHRULFQXIPRBP-ULQDDVLXSA-N 2 1 340.512 1.504 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCOc3ccc4ccccc4c3)CCN2C1=O ZINC000582431824 448239550 /nfs/dbraw/zinc/23/95/50/448239550.db2.gz SIJDQUMHUVTSBV-WMZOPIPTSA-N 2 1 325.412 1.462 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCOc3ccc4ccccc4c3)CCN2C1=O ZINC000582431824 448239558 /nfs/dbraw/zinc/23/95/58/448239558.db2.gz SIJDQUMHUVTSBV-WMZOPIPTSA-N 2 1 325.412 1.462 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(F)F ZINC000582486393 448251686 /nfs/dbraw/zinc/25/16/86/448251686.db2.gz IXAWXWQUUJNIQH-HUUCEWRRSA-N 2 1 341.402 1.376 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(F)F ZINC000582486393 448251688 /nfs/dbraw/zinc/25/16/88/448251688.db2.gz IXAWXWQUUJNIQH-HUUCEWRRSA-N 2 1 341.402 1.376 20 0 EDADMP CC[N@H+](CCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(C)C ZINC000532428049 448258651 /nfs/dbraw/zinc/25/86/51/448258651.db2.gz HQWRMZVTFCJNGR-SJORKVTESA-N 2 1 340.512 1.659 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(C)C ZINC000532428049 448258656 /nfs/dbraw/zinc/25/86/56/448258656.db2.gz HQWRMZVTFCJNGR-SJORKVTESA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000532463495 448262995 /nfs/dbraw/zinc/26/29/95/448262995.db2.gz FTMMNOYUBLGDDY-RDJZCZTQSA-N 2 1 325.460 2.485 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2)CC1)C1CC1 ZINC000572086108 448278693 /nfs/dbraw/zinc/27/86/93/448278693.db2.gz BIZPQDCNOAGQFE-GOSISDBHSA-N 2 1 331.460 1.336 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2)CC1)C1CC1 ZINC000572086108 448278698 /nfs/dbraw/zinc/27/86/98/448278698.db2.gz BIZPQDCNOAGQFE-GOSISDBHSA-N 2 1 331.460 1.336 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(C)C2CC([NH3+])C2)CC1 ZINC000582789430 448342059 /nfs/dbraw/zinc/34/20/59/448342059.db2.gz ZHFDXZKSCCDPET-UHFFFAOYSA-N 3 1 344.503 1.451 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)C2(C[NH3+])CCCC2)CCC[N@H+]1C ZINC000515831674 448354793 /nfs/dbraw/zinc/35/47/93/448354793.db2.gz BMQQHCIXBFPBAG-GOEBONIOSA-N 2 1 333.480 1.438 20 0 EDADMP COc1ccc(CN2CC[C@@H]2CNC(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000527798654 448362938 /nfs/dbraw/zinc/36/29/38/448362938.db2.gz RCBYXFPLVMVIDF-IAGOWNOFSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NC[C@H]2CCC[NH+]2C)cc1 ZINC000527798654 448362942 /nfs/dbraw/zinc/36/29/42/448362942.db2.gz RCBYXFPLVMVIDF-IAGOWNOFSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000527798654 448362952 /nfs/dbraw/zinc/36/29/52/448362952.db2.gz RCBYXFPLVMVIDF-IAGOWNOFSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000527798654 448362957 /nfs/dbraw/zinc/36/29/57/448362957.db2.gz RCBYXFPLVMVIDF-IAGOWNOFSA-N 2 1 346.475 1.663 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCc2cncn2C)CC1 ZINC000572254364 448328087 /nfs/dbraw/zinc/32/80/87/448328087.db2.gz MMXMOGVAIMZZRA-HDICACEKSA-N 2 1 333.524 1.843 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000591456237 448370793 /nfs/dbraw/zinc/37/07/93/448370793.db2.gz GYXMGFAICWUJJR-ROUUACIJSA-N 2 1 330.476 1.043 20 0 EDADMP Cc1ccc(OC[C@H](O)C[NH2+]CCCNc2ccc(C)c[nH+]2)cc1 ZINC000583495237 448436181 /nfs/dbraw/zinc/43/61/81/448436181.db2.gz VXUNWEKWPSZMMN-QGZVFWFLSA-N 2 1 329.444 2.530 20 0 EDADMP CC[C@H]1COCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000516660643 448459502 /nfs/dbraw/zinc/45/95/02/448459502.db2.gz DBXRQCDMRQNZGE-KRWDZBQOSA-N 2 1 337.508 1.820 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2[NH2+]CCc3ccccc32)[N@@H+](C)C1 ZINC000516857153 448483137 /nfs/dbraw/zinc/48/31/37/448483137.db2.gz MZOIBOGQKJSCEZ-XYJFISCASA-N 2 1 346.475 1.234 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC3CC3)C1)CC2 ZINC000573006711 448522242 /nfs/dbraw/zinc/52/22/42/448522242.db2.gz KXTPFNRFDQYMJW-DLBZAZTESA-N 2 1 330.476 1.944 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC3CC3)C1)CC2 ZINC000573006711 448522244 /nfs/dbraw/zinc/52/22/44/448522244.db2.gz KXTPFNRFDQYMJW-DLBZAZTESA-N 2 1 330.476 1.944 20 0 EDADMP CCn1ccc(CNC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)n1 ZINC000584540220 448565562 /nfs/dbraw/zinc/56/55/62/448565562.db2.gz RCANMLNORBYMKZ-UHFFFAOYSA-N 2 1 347.507 1.716 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000517368458 448575932 /nfs/dbraw/zinc/57/59/32/448575932.db2.gz ILSFDJZCCYZURF-KSZLIROESA-N 2 1 328.460 1.647 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000578746103 448625599 /nfs/dbraw/zinc/62/55/99/448625599.db2.gz YTXPMROMBBIRDK-JENIJYKNSA-N 2 1 336.524 1.156 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000573428491 448622919 /nfs/dbraw/zinc/62/29/19/448622919.db2.gz MWKUYCJMWVYCDE-SZMVWBNQSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H]1C[C@@H](N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000538587703 448590110 /nfs/dbraw/zinc/59/01/10/448590110.db2.gz VNGDKRCXJBPDIM-WDSOQIARSA-N 2 1 346.519 1.348 20 0 EDADMP C[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CCN1C ZINC000538587703 448590117 /nfs/dbraw/zinc/59/01/17/448590117.db2.gz VNGDKRCXJBPDIM-WDSOQIARSA-N 2 1 346.519 1.348 20 0 EDADMP C[C@@H](CNC(=O)NC(C)(C)CN1CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000566960710 448591499 /nfs/dbraw/zinc/59/14/99/448591499.db2.gz UODOTEXHTQPYJC-HOTGVXAUSA-N 2 1 340.512 1.659 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000566981177 448596428 /nfs/dbraw/zinc/59/64/28/448596428.db2.gz ZYWNRHHXUSVSAG-GJZGRUSLSA-N 2 1 326.485 1.175 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000567031102 448601314 /nfs/dbraw/zinc/60/13/14/448601314.db2.gz FURBCAJEITVVHO-INIZCTEOSA-N 2 1 348.495 1.027 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000567031102 448601321 /nfs/dbraw/zinc/60/13/21/448601321.db2.gz FURBCAJEITVVHO-INIZCTEOSA-N 2 1 348.495 1.027 20 0 EDADMP C[C@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C1=CC[N@@H+](C)CC1 ZINC000528716589 448642690 /nfs/dbraw/zinc/64/26/90/448642690.db2.gz ZFZHLVRKOOIEKH-ZDUSSCGKSA-N 2 1 330.432 1.941 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528719500 448644978 /nfs/dbraw/zinc/64/49/78/448644978.db2.gz IOEKFYLQOZNQFM-INIZCTEOSA-N 2 1 348.447 1.401 20 0 EDADMP COC(=O)CC[N@@H+](C[C@@H](C[NH3+])c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000573556171 448657430 /nfs/dbraw/zinc/65/74/30/448657430.db2.gz LBZCJFNURNOXPS-WBVHZDCISA-N 2 1 338.423 1.912 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C=C[C@H](CO)C3)CC2)CC1 ZINC000578907123 448669370 /nfs/dbraw/zinc/66/93/70/448669370.db2.gz VAOWQBZSJWECPS-DOTOQJQBSA-N 2 1 335.492 1.236 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000528914024 448710130 /nfs/dbraw/zinc/71/01/30/448710130.db2.gz FBSUZEHFKNVRHF-QZTJIDSGSA-N 2 1 342.443 1.191 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000528914024 448710135 /nfs/dbraw/zinc/71/01/35/448710135.db2.gz FBSUZEHFKNVRHF-QZTJIDSGSA-N 2 1 342.443 1.191 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000567787541 448761925 /nfs/dbraw/zinc/76/19/25/448761925.db2.gz PRMAKXXLZZTKSS-DAYGRLMNSA-N 2 1 331.460 1.489 20 0 EDADMP COC(=O)c1ccccc1CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184733 448727262 /nfs/dbraw/zinc/72/72/62/448727262.db2.gz OEGLNOSLRVJWPJ-UHFFFAOYSA-N 2 1 332.444 1.812 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)c1ccccc1 ZINC000585693986 448739573 /nfs/dbraw/zinc/73/95/73/448739573.db2.gz DBLVQZURSSRRKL-IBGZPJMESA-N 2 1 346.519 1.997 20 0 EDADMP C[C@@H]1[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC(=O)N1Cc1ccccc1 ZINC000567700413 448739934 /nfs/dbraw/zinc/73/99/34/448739934.db2.gz LKNAGCUWDKBLHK-JLSDUUJJSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@@H]1[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC(=O)N1Cc1ccccc1 ZINC000567700413 448739937 /nfs/dbraw/zinc/73/99/37/448739937.db2.gz LKNAGCUWDKBLHK-JLSDUUJJSA-N 2 1 331.460 1.221 20 0 EDADMP [NH3+]CC1(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000529291262 448808652 /nfs/dbraw/zinc/80/86/52/448808652.db2.gz ORLWQLANIJLTNK-KRWDZBQOSA-N 2 1 346.475 1.458 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000574170692 448809363 /nfs/dbraw/zinc/80/93/63/448809363.db2.gz RMPGYNZPAWRCLX-GDBMZVCRSA-N 2 1 325.522 1.662 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000519548019 448784267 /nfs/dbraw/zinc/78/42/67/448784267.db2.gz OLMNFUVSNZJKOS-KBAYOESNSA-N 2 1 345.487 1.641 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000529310438 448816678 /nfs/dbraw/zinc/81/66/78/448816678.db2.gz SHGCWUBSDBXQIN-OAHLLOKOSA-N 2 1 340.431 1.660 20 0 EDADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC1C[NH2+]C1 ZINC000529336403 448830482 /nfs/dbraw/zinc/83/04/82/448830482.db2.gz NBPHRBLQDLJRJC-GOSISDBHSA-N 2 1 330.476 1.758 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000579712913 448860170 /nfs/dbraw/zinc/86/01/70/448860170.db2.gz LDRSRVKKAONFSA-JKSUJKDBSA-N 2 1 346.475 1.100 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000579712913 448860173 /nfs/dbraw/zinc/86/01/73/448860173.db2.gz LDRSRVKKAONFSA-JKSUJKDBSA-N 2 1 346.475 1.100 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592559702 448901512 /nfs/dbraw/zinc/90/15/12/448901512.db2.gz BVNZUEMFRSZSOG-ZNMIVQPWSA-N 2 1 331.464 1.418 20 0 EDADMP C[NH+]1CCN(C[C@@H](O)CNc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000574513086 448890520 /nfs/dbraw/zinc/89/05/20/448890520.db2.gz GUMMLVZWKJVBMP-FQEVSTJZSA-N 2 1 346.519 1.345 20 0 EDADMP COCCN(C)C[C@H](O)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000574528825 448896027 /nfs/dbraw/zinc/89/60/27/448896027.db2.gz OJWDQKTYVBLFET-XHSDSOJGSA-N 2 1 344.496 1.225 20 0 EDADMP COCC[N@H+](C)C[C@H](O)CN1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000574528825 448896030 /nfs/dbraw/zinc/89/60/30/448896030.db2.gz OJWDQKTYVBLFET-XHSDSOJGSA-N 2 1 344.496 1.225 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000574528825 448896037 /nfs/dbraw/zinc/89/60/37/448896037.db2.gz OJWDQKTYVBLFET-XHSDSOJGSA-N 2 1 344.496 1.225 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000521217153 448962867 /nfs/dbraw/zinc/96/28/67/448962867.db2.gz IJBAEZYRYSLLDZ-MSOLQXFVSA-N 2 1 348.491 1.309 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)nn1 ZINC000574739586 448944152 /nfs/dbraw/zinc/94/41/52/448944152.db2.gz RIMUENLBHMBIMK-KRWDZBQOSA-N 2 1 337.431 1.964 20 0 EDADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000575172897 449053317 /nfs/dbraw/zinc/05/33/17/449053317.db2.gz SNDNNAOHNMKUQP-RDGPPVDQSA-N 2 1 337.508 1.111 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592965139 449089102 /nfs/dbraw/zinc/08/91/02/449089102.db2.gz OZDOLWGMBQZYQQ-LSDHHAIUSA-N 2 1 333.480 1.666 20 0 EDADMP COc1ccc(CN2CC[C@@H]2C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000530241288 449092028 /nfs/dbraw/zinc/09/20/28/449092028.db2.gz PPOFLBZRBJSEEI-QZTJIDSGSA-N 2 1 333.476 1.316 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CC[NH3+] ZINC000593730815 449165351 /nfs/dbraw/zinc/16/53/51/449165351.db2.gz HLLAMUXFXKZCQD-MNOVXSKESA-N 2 1 338.374 1.214 20 0 EDADMP COc1ncccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000604023028 449170551 /nfs/dbraw/zinc/17/05/51/449170551.db2.gz WEHJXMNYJQTWAU-UHFFFAOYSA-N 2 1 327.388 1.489 20 0 EDADMP C[N@@H+]1CCc2[nH]c3ccc(C(=O)N4CC[NH2+]C(C)(C)C4)cc3c2C1 ZINC000611890954 449459736 /nfs/dbraw/zinc/45/97/36/449459736.db2.gz BWSVGBDEKLZCKG-UHFFFAOYSA-N 2 1 326.444 1.980 20 0 EDADMP C[N@H+]1CCc2[nH]c3ccc(C(=O)N4CC[NH2+]C(C)(C)C4)cc3c2C1 ZINC000611890954 449459739 /nfs/dbraw/zinc/45/97/39/449459739.db2.gz BWSVGBDEKLZCKG-UHFFFAOYSA-N 2 1 326.444 1.980 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000614331353 449563993 /nfs/dbraw/zinc/56/39/93/449563993.db2.gz QJJDHLMJNRZJLT-MRXNPFEDSA-N 2 1 345.491 1.390 20 0 EDADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000600967540 449621210 /nfs/dbraw/zinc/62/12/10/449621210.db2.gz ONPZWILAHRSFFT-WMZOPIPTSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000600967540 449621213 /nfs/dbraw/zinc/62/12/13/449621213.db2.gz ONPZWILAHRSFFT-WMZOPIPTSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-n2ccnc2)ccn1 ZINC000617506651 449654749 /nfs/dbraw/zinc/65/47/49/449654749.db2.gz VFVJWQPENZJHRH-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-n2ccnc2)ccn1 ZINC000617506651 449654760 /nfs/dbraw/zinc/65/47/60/449654760.db2.gz VFVJWQPENZJHRH-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@H+]1C ZINC000607690482 449636536 /nfs/dbraw/zinc/63/65/36/449636536.db2.gz UERTVDSHYHMDRN-BPQIPLTHSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC[NH+]1C ZINC000607690482 449636540 /nfs/dbraw/zinc/63/65/40/449636540.db2.gz UERTVDSHYHMDRN-BPQIPLTHSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[NH+]1C ZINC000607690482 449636546 /nfs/dbraw/zinc/63/65/46/449636546.db2.gz UERTVDSHYHMDRN-BPQIPLTHSA-N 2 1 330.476 1.893 20 0 EDADMP CCOC(=O)[C@]1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCOC1 ZINC000602745495 449779737 /nfs/dbraw/zinc/77/97/37/449779737.db2.gz PBDBUEVPNCEWBO-AEFFLSMTSA-N 2 1 340.464 1.189 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617696169 449741500 /nfs/dbraw/zinc/74/15/00/449741500.db2.gz CIPRAFCSKKCCOU-QGZVFWFLSA-N 2 1 328.416 1.075 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617696169 449741503 /nfs/dbraw/zinc/74/15/03/449741503.db2.gz CIPRAFCSKKCCOU-QGZVFWFLSA-N 2 1 328.416 1.075 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C1 ZINC000617705482 449754090 /nfs/dbraw/zinc/75/40/90/449754090.db2.gz WGKMXZQIKZVCTB-QAPCUYQASA-N 2 1 331.460 1.211 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000617705482 449754095 /nfs/dbraw/zinc/75/40/95/449754095.db2.gz WGKMXZQIKZVCTB-QAPCUYQASA-N 2 1 331.460 1.211 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000617705482 449754100 /nfs/dbraw/zinc/75/41/00/449754100.db2.gz WGKMXZQIKZVCTB-QAPCUYQASA-N 2 1 331.460 1.211 20 0 EDADMP COC(=O)[C@]1(C)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602785831 449808051 /nfs/dbraw/zinc/80/80/51/449808051.db2.gz KVAHLYVJLDDOTO-MOPGFXCFSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@]1(C)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602785831 449808053 /nfs/dbraw/zinc/80/80/53/449808053.db2.gz KVAHLYVJLDDOTO-MOPGFXCFSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@]1(C)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602785831 449808062 /nfs/dbraw/zinc/80/80/62/449808062.db2.gz KVAHLYVJLDDOTO-MOPGFXCFSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@]1(C)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602785831 449808068 /nfs/dbraw/zinc/80/80/68/449808068.db2.gz KVAHLYVJLDDOTO-MOPGFXCFSA-N 2 1 332.444 1.508 20 0 EDADMP C[C@@H](CCNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000617753504 449818082 /nfs/dbraw/zinc/81/80/82/449818082.db2.gz DQEMMJYEHFZXDQ-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@@H](CCNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000617753504 449818088 /nfs/dbraw/zinc/81/80/88/449818088.db2.gz DQEMMJYEHFZXDQ-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000617886960 449901506 /nfs/dbraw/zinc/90/15/06/449901506.db2.gz DPBWXKIOSTXZRV-KRWDZBQOSA-N 2 1 346.475 1.677 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)C3(CO)CC3)CC2)CC1 ZINC000617897378 449908329 /nfs/dbraw/zinc/90/83/29/449908329.db2.gz LHAZLVKHGHOXKW-OAHLLOKOSA-N 2 1 337.508 1.460 20 0 EDADMP C[C@@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000612868584 449918611 /nfs/dbraw/zinc/91/86/11/449918611.db2.gz YXPXQRIWLXKAGQ-QFBILLFUSA-N 2 1 345.491 1.248 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)[N@@H+](C)Cc1ccccc1 ZINC000612968715 449962692 /nfs/dbraw/zinc/96/26/92/449962692.db2.gz AWAJMYFJVCMVNX-NVXWUHKLSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(C)CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599585602 450086177 /nfs/dbraw/zinc/08/61/77/450086177.db2.gz FQZUKRQZDRFRQM-HUUCEWRRSA-N 2 1 339.480 1.060 20 0 EDADMP [NH3+]CCSCc1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000603261655 450190080 /nfs/dbraw/zinc/19/00/80/450190080.db2.gz SVLKSUAMRLLMRV-KRWDZBQOSA-N 2 1 347.488 1.107 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOC2CCOCC2)[C@H](C)C1 ZINC000625333375 450298373 /nfs/dbraw/zinc/29/83/73/450298373.db2.gz XSVSUXOIGYJJSY-AEFFLSMTSA-N 2 1 328.497 1.909 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623227707 450458970 /nfs/dbraw/zinc/45/89/70/450458970.db2.gz ZNZDIUZCFFQZMM-OFQRWUPVSA-N 2 1 335.496 1.464 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623227707 450458973 /nfs/dbraw/zinc/45/89/73/450458973.db2.gz ZNZDIUZCFFQZMM-OFQRWUPVSA-N 2 1 335.496 1.464 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[NH+](C)C ZINC000620722677 450532949 /nfs/dbraw/zinc/53/29/49/450532949.db2.gz HGNLCRZZGRZPEP-MSOLQXFVSA-N 2 1 332.492 1.259 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[NH+](C)C ZINC000620722677 450532951 /nfs/dbraw/zinc/53/29/51/450532951.db2.gz HGNLCRZZGRZPEP-MSOLQXFVSA-N 2 1 332.492 1.259 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)CC1(C)C ZINC000623783310 450583194 /nfs/dbraw/zinc/58/31/94/450583194.db2.gz JFHYCRYJZSJYBW-QZTJIDSGSA-N 2 1 332.492 1.745 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1nc(N)[nH+]c(N)n1 ZINC000623862308 450617740 /nfs/dbraw/zinc/61/77/40/450617740.db2.gz QSGBYEWFWUMAPA-LBPRGKRZSA-N 2 1 327.436 1.105 20 0 EDADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1nc(N)nc(N)[nH+]1 ZINC000623862308 450617744 /nfs/dbraw/zinc/61/77/44/450617744.db2.gz QSGBYEWFWUMAPA-LBPRGKRZSA-N 2 1 327.436 1.105 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1nc(N)nc(N)[nH+]1 ZINC000623862308 450617750 /nfs/dbraw/zinc/61/77/50/450617750.db2.gz QSGBYEWFWUMAPA-LBPRGKRZSA-N 2 1 327.436 1.105 20 0 EDADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000627315072 450642266 /nfs/dbraw/zinc/64/22/66/450642266.db2.gz VNUUHRMNLHSVSG-CYBMUJFWSA-N 2 1 343.431 1.165 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000631587292 450667310 /nfs/dbraw/zinc/66/73/10/450667310.db2.gz RCTLMPVPTVRTAD-MRXNPFEDSA-N 2 1 333.480 1.249 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000635161061 450706125 /nfs/dbraw/zinc/70/61/25/450706125.db2.gz XWOKJEQVDWVLMR-MOPGFXCFSA-N 2 1 343.471 1.584 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000635161061 450706129 /nfs/dbraw/zinc/70/61/29/450706129.db2.gz XWOKJEQVDWVLMR-MOPGFXCFSA-N 2 1 343.471 1.584 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000635161061 450706133 /nfs/dbraw/zinc/70/61/33/450706133.db2.gz XWOKJEQVDWVLMR-MOPGFXCFSA-N 2 1 343.471 1.584 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000624164747 450730520 /nfs/dbraw/zinc/73/05/20/450730520.db2.gz FEUFBBHIRGENAW-HOCLYGCPSA-N 2 1 334.464 1.519 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000624164747 450730523 /nfs/dbraw/zinc/73/05/23/450730523.db2.gz FEUFBBHIRGENAW-HOCLYGCPSA-N 2 1 334.464 1.519 20 0 EDADMP O=C1CCCN1Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629556676 450735134 /nfs/dbraw/zinc/73/51/34/450735134.db2.gz NOGSWAMYAVIKHM-GOSISDBHSA-N 2 1 331.460 1.355 20 0 EDADMP C[NH+](C)Cc1cccc(CNS(=O)(=O)CC2([NH+](C)C)CC2)c1 ZINC000631725497 450735914 /nfs/dbraw/zinc/73/59/14/450735914.db2.gz HLWLLDABNJABBU-UHFFFAOYSA-N 2 1 325.478 1.262 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CCOc1cccc(Br)c1 ZINC000629571398 450742901 /nfs/dbraw/zinc/74/29/01/450742901.db2.gz UMYIWHRZTRJWFT-UHFFFAOYSA-N 2 1 331.254 1.996 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)CCC[NH+](C)C)C1 ZINC000631758046 450753487 /nfs/dbraw/zinc/75/34/87/450753487.db2.gz PPCQAHVKRUBCMO-IYBDPMFKSA-N 2 1 333.542 1.616 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000635223981 450765757 /nfs/dbraw/zinc/76/57/57/450765757.db2.gz OQEJPUWECPFQGI-UHFFFAOYSA-N 2 1 341.496 1.058 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000631775950 450766924 /nfs/dbraw/zinc/76/69/24/450766924.db2.gz KJMDNEPXJBFGTK-HNNXBMFYSA-N 2 1 331.457 1.300 20 0 EDADMP COCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000629648226 450771059 /nfs/dbraw/zinc/77/10/59/450771059.db2.gz IQCSQXOQGKUCSX-IAGOWNOFSA-N 2 1 348.447 1.146 20 0 EDADMP COCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000629648226 450771061 /nfs/dbraw/zinc/77/10/61/450771061.db2.gz IQCSQXOQGKUCSX-IAGOWNOFSA-N 2 1 348.447 1.146 20 0 EDADMP CC(C)c1ccc(OCCNC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631842376 450811517 /nfs/dbraw/zinc/81/15/17/450811517.db2.gz ZKKXJPJTBXRCGU-NVXWUHKLSA-N 2 1 333.476 1.832 20 0 EDADMP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631842376 450811523 /nfs/dbraw/zinc/81/15/23/450811523.db2.gz ZKKXJPJTBXRCGU-NVXWUHKLSA-N 2 1 333.476 1.832 20 0 EDADMP Cc1cc(C)c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(C)n1 ZINC000631821221 450797565 /nfs/dbraw/zinc/79/75/65/450797565.db2.gz RYFFYFYWHNHXDE-KRWDZBQOSA-N 2 1 330.476 1.651 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@H](C[NH3+])Cc3ccccc32)CC1 ZINC000631893755 450853366 /nfs/dbraw/zinc/85/33/66/450853366.db2.gz ZCERMMYBFJCQCJ-HOTGVXAUSA-N 2 1 330.476 1.177 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631917594 450877009 /nfs/dbraw/zinc/87/70/09/450877009.db2.gz SWMZLJYBGOZAKK-INIZCTEOSA-N 2 1 346.541 1.159 20 0 EDADMP CCc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)CCC[NH+](C)C)cc1 ZINC000631935819 450894332 /nfs/dbraw/zinc/89/43/32/450894332.db2.gz NFWWMSQAIOQVIO-KRWDZBQOSA-N 2 1 339.505 1.477 20 0 EDADMP CCc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)CCC[NH+](C)C)cc1 ZINC000631935820 450894658 /nfs/dbraw/zinc/89/46/58/450894658.db2.gz NFWWMSQAIOQVIO-QGZVFWFLSA-N 2 1 339.505 1.477 20 0 EDADMP Cc1cccc2c1C[NH2+]CCN2S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631942620 450900367 /nfs/dbraw/zinc/90/03/67/450900367.db2.gz CLNIJNIKOWXPFH-UHFFFAOYSA-N 2 1 337.489 1.720 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO)C1CCC1 ZINC000629978038 450930304 /nfs/dbraw/zinc/93/03/04/450930304.db2.gz GBNIEPSPXZIBSH-LJQANCHMSA-N 2 1 345.487 1.744 20 0 EDADMP C[NH+](CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CCC1 ZINC000629978038 450930309 /nfs/dbraw/zinc/93/03/09/450930309.db2.gz GBNIEPSPXZIBSH-LJQANCHMSA-N 2 1 345.487 1.744 20 0 EDADMP C[NH+](CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CCC1 ZINC000629978038 450930316 /nfs/dbraw/zinc/93/03/16/450930316.db2.gz GBNIEPSPXZIBSH-LJQANCHMSA-N 2 1 345.487 1.744 20 0 EDADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000635445704 450947521 /nfs/dbraw/zinc/94/75/21/450947521.db2.gz ZJBKIYTVANKHJU-ZWKOTPCHSA-N 2 1 335.492 1.717 20 0 EDADMP O=C([C@H]1CC[NH+]1C1CCCC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000635445704 450947526 /nfs/dbraw/zinc/94/75/26/450947526.db2.gz ZJBKIYTVANKHJU-ZWKOTPCHSA-N 2 1 335.492 1.717 20 0 EDADMP O=C([C@H]1CC[NH+]1C1CCCC1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000635445704 450947529 /nfs/dbraw/zinc/94/75/29/450947529.db2.gz ZJBKIYTVANKHJU-ZWKOTPCHSA-N 2 1 335.492 1.717 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)c1 ZINC000635502725 450996927 /nfs/dbraw/zinc/99/69/27/450996927.db2.gz IIDYCLGEMDRMJU-UHFFFAOYSA-N 2 1 343.431 1.759 20 0 EDADMP C[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000626952709 451030966 /nfs/dbraw/zinc/03/09/66/451030966.db2.gz GRRJLMRNTDAECL-HNNXBMFYSA-N 2 1 346.475 1.240 20 0 EDADMP C[C@H](CNC(=O)NCCOCCC[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000626953347 451031621 /nfs/dbraw/zinc/03/16/21/451031621.db2.gz RCHPWCQOOPOSJU-OAHLLOKOSA-N 2 1 334.464 1.098 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626999405 451065024 /nfs/dbraw/zinc/06/50/24/451065024.db2.gz ZCTCOKJEFNWVLX-RFHZTLPTSA-N 2 1 348.413 1.638 20 0 EDADMP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000627009904 451073652 /nfs/dbraw/zinc/07/36/52/451073652.db2.gz LEASUZBUGRNVCZ-ROUUACIJSA-N 2 1 346.475 1.963 20 0 EDADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000635657915 451143711 /nfs/dbraw/zinc/14/37/11/451143711.db2.gz GKQPDBAVBBKLMC-QZTJIDSGSA-N 2 1 337.508 1.724 20 0 EDADMP [NH3+]CCCOCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000627211430 451189112 /nfs/dbraw/zinc/18/91/12/451189112.db2.gz LTIISAZNZDLURM-UHFFFAOYSA-N 2 1 334.464 1.269 20 0 EDADMP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)[NH+](C)C ZINC000635734538 451206189 /nfs/dbraw/zinc/20/61/89/451206189.db2.gz ONBYVTLZTCTBHU-NJAFHUGGSA-N 2 1 338.540 1.732 20 0 EDADMP C[C@@H]1[C@@H](NS(=O)(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000632339802 451210094 /nfs/dbraw/zinc/21/00/94/451210094.db2.gz GCQTTWXJEPCRKZ-WBVHZDCISA-N 2 1 339.505 1.521 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000635748389 451216137 /nfs/dbraw/zinc/21/61/37/451216137.db2.gz BZFCILLDQLYOCE-SJORKVTESA-N 2 1 347.507 1.491 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000635799651 451247667 /nfs/dbraw/zinc/24/76/67/451247667.db2.gz DIUDQULVCCUIND-CALCHBBNSA-N 2 1 347.507 1.681 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000638095507 451261365 /nfs/dbraw/zinc/26/13/65/451261365.db2.gz UKVIEZGEHHYHHP-QZTJIDSGSA-N 2 1 330.476 1.142 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000638130589 451301669 /nfs/dbraw/zinc/30/16/69/451301669.db2.gz KYAZRJUJBKMCIY-MJGOQNOKSA-N 2 1 345.487 1.755 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000638132865 451305768 /nfs/dbraw/zinc/30/57/68/451305768.db2.gz FSMKHJZWTSEEFM-GJZGRUSLSA-N 2 1 334.489 1.200 20 0 EDADMP CC[N@H+]1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000640444586 451321907 /nfs/dbraw/zinc/32/19/07/451321907.db2.gz FWZMDBRERFTAKW-AWEZNQCLSA-N 2 1 334.468 1.708 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000638258482 451384385 /nfs/dbraw/zinc/38/43/85/451384385.db2.gz IJFUSKBTHRUXOJ-DOTOQJQBSA-N 2 1 330.407 1.840 20 0 EDADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000635902260 451344990 /nfs/dbraw/zinc/34/49/90/451344990.db2.gz JZXONBMNSUFCCF-SJLPKXTDSA-N 2 1 335.492 1.574 20 0 EDADMP Cc1cc(C[NH3+])oc1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000638276426 451395279 /nfs/dbraw/zinc/39/52/79/451395279.db2.gz FDHALSLUTKLZBK-HNNXBMFYSA-N 2 1 334.464 1.289 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000638284758 451401150 /nfs/dbraw/zinc/40/11/50/451401150.db2.gz CSBASCVLAFVWET-GDAAHCPNSA-N 2 1 345.487 1.862 20 0 EDADMP O=C(C[C@@H](n1ccnc1)C(F)(F)F)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000635976143 451410942 /nfs/dbraw/zinc/41/09/42/451410942.db2.gz WJSYQEYQLXHJTI-QWHCGFSZSA-N 2 1 348.369 1.340 20 0 EDADMP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000634642778 451436463 /nfs/dbraw/zinc/43/64/63/451436463.db2.gz QNVYAHOQBSLNGX-GYSYKLTISA-N 2 1 331.243 1.884 20 0 EDADMP CN(C)c1cc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc[nH+]1 ZINC000640603706 451449559 /nfs/dbraw/zinc/44/95/59/451449559.db2.gz DSQYDGOGAOUVCT-CVEARBPZSA-N 2 1 347.463 1.647 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccn1 ZINC000640609780 451457239 /nfs/dbraw/zinc/45/72/39/451457239.db2.gz WSTPPYCELWYBAZ-HNNXBMFYSA-N 2 1 347.463 1.329 20 0 EDADMP COCC1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000634714050 451494801 /nfs/dbraw/zinc/49/48/01/451494801.db2.gz FKTPTQCXJBLJHF-HXUWFJFHSA-N 2 1 348.487 1.656 20 0 EDADMP COCC1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000634714050 451494802 /nfs/dbraw/zinc/49/48/02/451494802.db2.gz FKTPTQCXJBLJHF-HXUWFJFHSA-N 2 1 348.487 1.656 20 0 EDADMP O[C@]1(CNC[C@H]2CC[N@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634700875 451473653 /nfs/dbraw/zinc/47/36/53/451473653.db2.gz GUAIZHDAEDQBPE-QUCCMNQESA-N 2 1 329.488 1.697 20 0 EDADMP O[C@]1(CNC[C@H]2CC[NH+](C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634700875 451473660 /nfs/dbraw/zinc/47/36/60/451473660.db2.gz GUAIZHDAEDQBPE-QUCCMNQESA-N 2 1 329.488 1.697 20 0 EDADMP O[C@]1(CNC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700875 451473664 /nfs/dbraw/zinc/47/36/64/451473664.db2.gz GUAIZHDAEDQBPE-QUCCMNQESA-N 2 1 329.488 1.697 20 0 EDADMP [NH3+]C1(CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000638408781 451496201 /nfs/dbraw/zinc/49/62/01/451496201.db2.gz DXQDTAKKMPWBLG-UHFFFAOYSA-N 3 1 344.503 1.758 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000638412292 451497763 /nfs/dbraw/zinc/49/77/63/451497763.db2.gz WUYVIQIROKKXIH-SUYBPPKGSA-N 2 1 337.414 1.868 20 0 EDADMP OC[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Cc1ccco1 ZINC000634719745 451499480 /nfs/dbraw/zinc/49/94/80/451499480.db2.gz YHJBLBIBZUBYND-AZUAARDMSA-N 2 1 344.455 1.657 20 0 EDADMP OC[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cc1ccco1 ZINC000634719745 451499483 /nfs/dbraw/zinc/49/94/83/451499483.db2.gz YHJBLBIBZUBYND-AZUAARDMSA-N 2 1 344.455 1.657 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638504511 451548873 /nfs/dbraw/zinc/54/88/73/451548873.db2.gz FZSBFYTWRWOBLI-IAGOWNOFSA-N 2 1 329.444 1.288 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638504511 451548879 /nfs/dbraw/zinc/54/88/79/451548879.db2.gz FZSBFYTWRWOBLI-IAGOWNOFSA-N 2 1 329.444 1.288 20 0 EDADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631050254 451554490 /nfs/dbraw/zinc/55/44/90/451554490.db2.gz WXHDUHQXZAYOEX-ZDUSSCGKSA-N 2 1 345.896 1.809 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631050254 451554493 /nfs/dbraw/zinc/55/44/93/451554493.db2.gz WXHDUHQXZAYOEX-ZDUSSCGKSA-N 2 1 345.896 1.809 20 0 EDADMP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000636239470 451610793 /nfs/dbraw/zinc/61/07/93/451610793.db2.gz IDOPKGOXBMKGQX-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000634997845 451640788 /nfs/dbraw/zinc/64/07/88/451640788.db2.gz URJNEINCXKXNJP-JKSUJKDBSA-N 3 1 334.512 1.230 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(OC(C)C)C3)CC2)CC1 ZINC000636324200 451680222 /nfs/dbraw/zinc/68/02/22/451680222.db2.gz SKVCHIZJMSVCIR-UHFFFAOYSA-N 2 1 337.508 1.819 20 0 EDADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916893 451734636 /nfs/dbraw/zinc/73/46/36/451734636.db2.gz GKPSQZGWSWJMRJ-BQBZGAKWSA-N 2 1 328.235 1.300 20 0 EDADMP CC(C)(C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)N1CCOCC1 ZINC000638976478 451744383 /nfs/dbraw/zinc/74/43/83/451744383.db2.gz INFWMVZXEKDBKN-LJQANCHMSA-N 2 1 347.503 1.454 20 0 EDADMP [NH3+]CC1(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000638997851 451749962 /nfs/dbraw/zinc/74/99/62/451749962.db2.gz YCINBIIQJYNJOW-UHFFFAOYSA-N 2 1 344.503 1.582 20 0 EDADMP CO[C@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCOC1 ZINC000639105761 451769102 /nfs/dbraw/zinc/76/91/02/451769102.db2.gz QWGXTXCKHAXIMA-VAMGGRTRSA-N 2 1 348.487 1.919 20 0 EDADMP CO[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCOC1 ZINC000639105761 451769103 /nfs/dbraw/zinc/76/91/03/451769103.db2.gz QWGXTXCKHAXIMA-VAMGGRTRSA-N 2 1 348.487 1.919 20 0 EDADMP C[N@@H+](C[C@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1)C1CC1 ZINC000641221029 451787246 /nfs/dbraw/zinc/78/72/46/451787246.db2.gz DVDVXNDWNPPWBO-HOCLYGCPSA-N 2 1 335.839 1.435 20 0 EDADMP CC(C)[C@@H]([NH3+])c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641229367 451790589 /nfs/dbraw/zinc/79/05/89/451790589.db2.gz HZJPWYWFLXKKBO-MSOLQXFVSA-N 2 1 329.448 1.571 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000641255307 451795198 /nfs/dbraw/zinc/79/51/98/451795198.db2.gz BLVMDJLOZXKQLO-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP C[N@H+]1CCC[C@H](CC[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000639257342 451799243 /nfs/dbraw/zinc/79/92/43/451799243.db2.gz MJCLDNHMLPOKTQ-CQSZACIVSA-N 2 1 331.526 1.558 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CCNc1ncc(Cl)cc1Cl)C1CC1 ZINC000644523092 451840551 /nfs/dbraw/zinc/84/05/51/451840551.db2.gz JDYAFAZLPBURIF-GFCCVEGCSA-N 2 1 333.263 1.845 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CCNc1ncc(Cl)cc1Cl)C1CC1 ZINC000644523092 451840555 /nfs/dbraw/zinc/84/05/55/451840555.db2.gz JDYAFAZLPBURIF-GFCCVEGCSA-N 2 1 333.263 1.845 20 0 EDADMP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000644524029 451840634 /nfs/dbraw/zinc/84/06/34/451840634.db2.gz LQFNPOBAIKLKLL-RCCFBDPRSA-N 2 1 332.444 1.845 20 0 EDADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639353798 451841624 /nfs/dbraw/zinc/84/16/24/451841624.db2.gz ZTIDQIHTTLCMAM-KRWDZBQOSA-N 2 1 331.460 1.638 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000644532422 451845959 /nfs/dbraw/zinc/84/59/59/451845959.db2.gz IMSBZEBLSQMHRG-HZPDHXFCSA-N 2 1 345.409 1.706 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000644532422 451845965 /nfs/dbraw/zinc/84/59/65/451845965.db2.gz IMSBZEBLSQMHRG-HZPDHXFCSA-N 2 1 345.409 1.706 20 0 EDADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646807702 451854081 /nfs/dbraw/zinc/85/40/81/451854081.db2.gz PXITZKPNEFKRJG-OALUTQOASA-N 2 1 344.503 1.228 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@]2(COC)CCC[NH2+]2)CC1 ZINC000649294192 451971086 /nfs/dbraw/zinc/97/10/86/451971086.db2.gz BNPOWCWOUDRFMJ-GOSISDBHSA-N 2 1 325.497 1.726 20 0 EDADMP CC(=O)N1CC[C@@H](C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639546093 451936388 /nfs/dbraw/zinc/93/63/88/451936388.db2.gz BSZSQKHVIBXWAP-VQTJNVASSA-N 2 1 345.487 1.424 20 0 EDADMP CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639546093 451936393 /nfs/dbraw/zinc/93/63/93/451936393.db2.gz BSZSQKHVIBXWAP-VQTJNVASSA-N 2 1 345.487 1.424 20 0 EDADMP CC(=O)N1CC[C@@H](C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639546093 451936397 /nfs/dbraw/zinc/93/63/97/451936397.db2.gz BSZSQKHVIBXWAP-VQTJNVASSA-N 2 1 345.487 1.424 20 0 EDADMP CC(=O)N1CC[C@@H](C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639546093 451936401 /nfs/dbraw/zinc/93/64/01/451936401.db2.gz BSZSQKHVIBXWAP-VQTJNVASSA-N 2 1 345.487 1.424 20 0 EDADMP CC(=O)N1CC[C@@H](C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639546093 451936404 /nfs/dbraw/zinc/93/64/04/451936404.db2.gz BSZSQKHVIBXWAP-VQTJNVASSA-N 2 1 345.487 1.424 20 0 EDADMP Cc1cc(C)c(CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(C)n1 ZINC000639546384 451936958 /nfs/dbraw/zinc/93/69/58/451936958.db2.gz NHFLJQWJOKUIED-SFHVURJKSA-N 2 1 330.476 1.921 20 0 EDADMP Cc1cc(C)c(C[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)c(C)n1 ZINC000639546384 451936965 /nfs/dbraw/zinc/93/69/65/451936965.db2.gz NHFLJQWJOKUIED-SFHVURJKSA-N 2 1 330.476 1.921 20 0 EDADMP COCCC1(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000649292999 451968796 /nfs/dbraw/zinc/96/87/96/451968796.db2.gz SSRNPXVOYOWMQY-JKSUJKDBSA-N 2 1 325.497 1.772 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@H](C)[N@@H+]1C ZINC000637664590 452006313 /nfs/dbraw/zinc/00/63/13/452006313.db2.gz SAGYQDCWGCLTEW-OKILXGFUSA-N 2 1 334.468 1.706 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682036 452021296 /nfs/dbraw/zinc/02/12/96/452021296.db2.gz ITISIRWBQRNTMP-INIZCTEOSA-N 2 1 334.464 1.525 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000643135902 452045074 /nfs/dbraw/zinc/04/50/74/452045074.db2.gz YOVIIHMCVQCKBA-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643135902 452045079 /nfs/dbraw/zinc/04/50/79/452045079.db2.gz YOVIIHMCVQCKBA-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643135902 452045084 /nfs/dbraw/zinc/04/50/84/452045084.db2.gz YOVIIHMCVQCKBA-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CC[NH+](CC)CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000647094273 452057030 /nfs/dbraw/zinc/05/70/30/452057030.db2.gz AHBRYVPLMFHYIQ-UHFFFAOYSA-N 2 1 347.507 1.925 20 0 EDADMP CC[C@H]1C[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@@H]1[NH3+] ZINC000649416773 452078675 /nfs/dbraw/zinc/07/86/75/452078675.db2.gz LPVWBEOKNCGMEQ-RDJZCZTQSA-N 2 1 348.466 1.534 20 0 EDADMP CC[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@@H]1[NH3+] ZINC000649416773 452078679 /nfs/dbraw/zinc/07/86/79/452078679.db2.gz LPVWBEOKNCGMEQ-RDJZCZTQSA-N 2 1 348.466 1.534 20 0 EDADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000649420407 452081987 /nfs/dbraw/zinc/08/19/87/452081987.db2.gz HNBJHLURRDTRMM-YOEHRIQHSA-N 2 1 343.431 1.850 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000637802077 452091050 /nfs/dbraw/zinc/09/10/50/452091050.db2.gz OZMZHJQABZODQA-QWFCFKBJSA-N 2 1 343.471 1.345 20 0 EDADMP C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000637824519 452102690 /nfs/dbraw/zinc/10/26/90/452102690.db2.gz OXZIFXOVFSZKSJ-HZPDHXFCSA-N 2 1 344.484 1.694 20 0 EDADMP [NH3+]C1(CC(=O)NC[C@@H]2CCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000637828450 452103655 /nfs/dbraw/zinc/10/36/55/452103655.db2.gz ZOWHFYIUFBEIAJ-KRWDZBQOSA-N 3 1 330.476 1.238 20 0 EDADMP OC[C@H]1CCCCC[N@H+]1CCOCC[NH+]1CCCCC[C@H]1CO ZINC000653783861 452114188 /nfs/dbraw/zinc/11/41/88/452114188.db2.gz VOVVZRMNKDKSRL-HDICACEKSA-N 2 1 328.497 1.477 20 0 EDADMP OC[C@H]1CCCCC[NH+]1CCOCC[N@@H+]1CCCCC[C@H]1CO ZINC000653783861 452114190 /nfs/dbraw/zinc/11/41/90/452114190.db2.gz VOVVZRMNKDKSRL-HDICACEKSA-N 2 1 328.497 1.477 20 0 EDADMP OC[C@H]1CCCCC[NH+]1CCOCC[N@H+]1CCCCC[C@H]1CO ZINC000653783861 452114194 /nfs/dbraw/zinc/11/41/94/452114194.db2.gz VOVVZRMNKDKSRL-HDICACEKSA-N 2 1 328.497 1.477 20 0 EDADMP CC(C)[C@](C)(C[NH3+])NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637850336 452114878 /nfs/dbraw/zinc/11/48/78/452114878.db2.gz AKIDZEPVKANNDY-IBGZPJMESA-N 3 1 346.519 1.860 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000643294142 452119700 /nfs/dbraw/zinc/11/97/00/452119700.db2.gz GPMMSJDWWLJXMN-IXDOHACOSA-N 2 1 340.512 1.347 20 0 EDADMP CCCNC(=O)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637888662 452140169 /nfs/dbraw/zinc/14/01/69/452140169.db2.gz HCZIZDSRJBELAG-UHFFFAOYSA-N 2 1 346.475 1.012 20 0 EDADMP Cc1[nH]c2nc[nH+]c(NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)c2c1C ZINC000645152517 452181132 /nfs/dbraw/zinc/18/11/32/452181132.db2.gz HQRKSYJQJKMPQV-AWEZNQCLSA-N 2 1 344.463 1.929 20 0 EDADMP Cc1[nH]c2nc[nH+]c(NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)c2c1C ZINC000645152517 452181141 /nfs/dbraw/zinc/18/11/41/452181141.db2.gz HQRKSYJQJKMPQV-AWEZNQCLSA-N 2 1 344.463 1.929 20 0 EDADMP Nc1nc(N2CC[NH+](CC3CCOCC3)CC2)c2c([nH+]1)CCCC2 ZINC000645174389 452192856 /nfs/dbraw/zinc/19/28/56/452192856.db2.gz HFUUUMACBBPHDJ-UHFFFAOYSA-N 2 1 331.464 1.486 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@H+]3CCCC[C@@H]13)CCO2 ZINC000645183036 452199067 /nfs/dbraw/zinc/19/90/67/452199067.db2.gz UYTPLAKTURNVBK-HOTGVXAUSA-N 2 1 336.480 1.119 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000654005947 452200147 /nfs/dbraw/zinc/20/01/47/452200147.db2.gz BMHOXXVCGNNJPP-GJZGRUSLSA-N 2 1 334.468 1.583 20 0 EDADMP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654058684 452228345 /nfs/dbraw/zinc/22/83/45/452228345.db2.gz QNTFZAWUSALKNR-HRCADAONSA-N 2 1 333.476 1.976 20 0 EDADMP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654058684 452228352 /nfs/dbraw/zinc/22/83/52/452228352.db2.gz QNTFZAWUSALKNR-HRCADAONSA-N 2 1 333.476 1.976 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)CC2)nc(C)[nH+]1 ZINC000655451464 452246402 /nfs/dbraw/zinc/24/64/02/452246402.db2.gz PMPWFIASOOPSTR-QFBILLFUSA-N 2 1 343.475 1.568 20 0 EDADMP CCN(C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000663553829 452262941 /nfs/dbraw/zinc/26/29/41/452262941.db2.gz MJUSPLYDIOKCBF-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP CCN(C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663553829 452262951 /nfs/dbraw/zinc/26/29/51/452262951.db2.gz MJUSPLYDIOKCBF-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000647529463 452263411 /nfs/dbraw/zinc/26/34/11/452263411.db2.gz HAFVBTHCZXRUMS-QUCCMNQESA-N 2 1 346.446 1.984 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000647529463 452263416 /nfs/dbraw/zinc/26/34/16/452263416.db2.gz HAFVBTHCZXRUMS-QUCCMNQESA-N 2 1 346.446 1.984 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(CCN3CCOCC3)C2)[C@H](C)C1 ZINC000641788916 452267108 /nfs/dbraw/zinc/26/71/08/452267108.db2.gz WEZKADDFADNESR-QYZOEREBSA-N 3 1 338.540 1.103 20 0 EDADMP [NH3+]CC12CC(C1)CN2C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000659433365 452279263 /nfs/dbraw/zinc/27/92/63/452279263.db2.gz BNWMJUYGQRVZIS-UHFFFAOYSA-N 2 1 328.460 1.568 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@@H]1[NH3+] ZINC000641805034 452282160 /nfs/dbraw/zinc/28/21/60/452282160.db2.gz MJITVDKSSLIIKT-LSDHHAIUSA-N 2 1 330.432 1.233 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488176 452286579 /nfs/dbraw/zinc/28/65/79/452286579.db2.gz VCTVVRPSLYVIJV-ZXFNITATSA-N 2 1 331.460 1.487 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000645310552 452287881 /nfs/dbraw/zinc/28/78/81/452287881.db2.gz XZOCADHHYAAKDJ-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000645310552 452287890 /nfs/dbraw/zinc/28/78/90/452287890.db2.gz XZOCADHHYAAKDJ-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641808132 452288430 /nfs/dbraw/zinc/28/84/30/452288430.db2.gz SRQOVNUVAKBMSJ-IYVPYFHTSA-N 2 1 349.475 1.985 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000661505671 452307777 /nfs/dbraw/zinc/30/77/77/452307777.db2.gz CBPDOFBLGZOHFT-HZPDHXFCSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000661505671 452307789 /nfs/dbraw/zinc/30/77/89/452307789.db2.gz CBPDOFBLGZOHFT-HZPDHXFCSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000661505671 452307799 /nfs/dbraw/zinc/30/77/99/452307799.db2.gz CBPDOFBLGZOHFT-HZPDHXFCSA-N 2 1 340.512 1.515 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000639985586 452318563 /nfs/dbraw/zinc/31/85/63/452318563.db2.gz BAWRRDCDRWILGH-INIZCTEOSA-N 2 1 343.537 1.608 20 0 EDADMP C[C@@H](CCO)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000649866790 452326650 /nfs/dbraw/zinc/32/66/50/452326650.db2.gz YXFXHIPHDIBMCZ-INIZCTEOSA-N 2 1 333.476 1.601 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C[C@@H](C)O1 ZINC000665757885 452326898 /nfs/dbraw/zinc/32/68/98/452326898.db2.gz ZECAQPQKZSBSOA-ARFHVFGLSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C[C@@H](C)O1 ZINC000665757885 452326907 /nfs/dbraw/zinc/32/69/07/452326907.db2.gz ZECAQPQKZSBSOA-ARFHVFGLSA-N 2 1 328.501 1.467 20 0 EDADMP [NH3+]CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C(F)(F)F ZINC000663600746 452328724 /nfs/dbraw/zinc/32/87/24/452328724.db2.gz WCUKHDXDCXKQIF-STQMWFEESA-N 2 1 336.402 1.687 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000659472420 452331307 /nfs/dbraw/zinc/33/13/07/452331307.db2.gz HYQSPMKAAQIGNL-NXHRZFHOSA-N 2 1 330.476 1.948 20 0 EDADMP CO[C@@]1(C)CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665762433 452339437 /nfs/dbraw/zinc/33/94/37/452339437.db2.gz DIXPZJMVWIPEPF-RDJZCZTQSA-N 2 1 328.501 1.469 20 0 EDADMP CO[C@@]1(C)CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665762433 452339430 /nfs/dbraw/zinc/33/94/30/452339430.db2.gz DIXPZJMVWIPEPF-RDJZCZTQSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCOC[C@@H]1C1CCC1 ZINC000665763633 452346138 /nfs/dbraw/zinc/34/61/38/452346138.db2.gz HQNLMRSLYMWRIV-DOTOQJQBSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCOC[C@@H]1C1CCC1 ZINC000665763633 452346150 /nfs/dbraw/zinc/34/61/50/452346150.db2.gz HQNLMRSLYMWRIV-DOTOQJQBSA-N 2 1 340.512 1.469 20 0 EDADMP Cc1nnc(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000665764397 452347754 /nfs/dbraw/zinc/34/77/54/452347754.db2.gz DBDIQNIAYWKRIY-LBPRGKRZSA-N 2 1 342.513 1.260 20 0 EDADMP Cc1nnc(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000665764397 452347757 /nfs/dbraw/zinc/34/77/57/452347757.db2.gz DBDIQNIAYWKRIY-LBPRGKRZSA-N 2 1 342.513 1.260 20 0 EDADMP C[C@H]1[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)CC[N@H+]1Cc1ccccc1 ZINC000659492571 452355000 /nfs/dbraw/zinc/35/50/00/452355000.db2.gz GKZHLBSFCNRRCY-WAZRQNRBSA-N 2 1 328.460 1.782 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652163138 452357686 /nfs/dbraw/zinc/35/76/86/452357686.db2.gz ARSMWYZDWPVARI-YESZJQIVSA-N 2 1 340.512 1.646 20 0 EDADMP CC(C)(CNC(=O)c1cnc(C[NH3+])nc1)[N@H+]1CCc2ccccc2C1 ZINC000638067205 452370015 /nfs/dbraw/zinc/37/00/15/452370015.db2.gz COPQNFGOYKDJFR-UHFFFAOYSA-N 2 1 339.443 1.502 20 0 EDADMP CC[C@]1(O)CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000640035738 452371745 /nfs/dbraw/zinc/37/17/45/452371745.db2.gz NAWNOYKUGIFBRC-HKUYNNGSSA-N 2 1 333.476 1.642 20 0 EDADMP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000647709925 452446486 /nfs/dbraw/zinc/44/64/86/452446486.db2.gz BTAYOLUJVIKMBO-DOTOQJQBSA-N 2 1 337.439 1.076 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659603243 452459354 /nfs/dbraw/zinc/45/93/54/452459354.db2.gz XVKWQZFZUIMHIC-AEFFLSMTSA-N 2 1 349.523 1.083 20 0 EDADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659607660 452463827 /nfs/dbraw/zinc/46/38/27/452463827.db2.gz DKLMDLZPTRKYPL-KLHDSHLOSA-N 2 1 336.480 1.199 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659607573 452464498 /nfs/dbraw/zinc/46/44/98/452464498.db2.gz BYHIWFUXYZCWJH-BZUAXINKSA-N 2 1 338.496 1.302 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654434979 452492605 /nfs/dbraw/zinc/49/26/05/452492605.db2.gz IDCMFZNLZDPFPO-IXDOHACOSA-N 2 1 338.496 1.101 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654434979 452492610 /nfs/dbraw/zinc/49/26/10/452492610.db2.gz IDCMFZNLZDPFPO-IXDOHACOSA-N 2 1 338.496 1.101 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654434979 452492618 /nfs/dbraw/zinc/49/26/18/452492618.db2.gz IDCMFZNLZDPFPO-IXDOHACOSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1csc(C(N)=O)c1 ZINC000640185671 452497977 /nfs/dbraw/zinc/49/79/77/452497977.db2.gz ONOMOPCRRLSARY-NSHDSACASA-N 2 1 341.481 1.241 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1csc(C(N)=O)c1 ZINC000640185671 452497988 /nfs/dbraw/zinc/49/79/88/452497988.db2.gz ONOMOPCRRLSARY-NSHDSACASA-N 2 1 341.481 1.241 20 0 EDADMP CC[C@@H](C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1)[NH+](CC)CC ZINC000647765429 452498921 /nfs/dbraw/zinc/49/89/21/452498921.db2.gz OGCPLKHLRNZJHS-RDJZCZTQSA-N 2 1 325.497 1.819 20 0 EDADMP CCc1nc(CN2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)no1 ZINC000652339308 452510314 /nfs/dbraw/zinc/51/03/14/452510314.db2.gz MOMGMPARLAHGKE-UHFFFAOYSA-N 2 1 341.459 1.596 20 0 EDADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)N1CCOCC1 ZINC000655690256 452513445 /nfs/dbraw/zinc/51/34/45/452513445.db2.gz JYJQGINUQZEYCO-QGZVFWFLSA-N 2 1 325.497 1.330 20 0 EDADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)N1CCOCC1 ZINC000655695386 452516707 /nfs/dbraw/zinc/51/67/07/452516707.db2.gz KXDGIXSCWIJCSF-MOPGFXCFSA-N 2 1 339.524 1.576 20 0 EDADMP Fc1cccc(Cc2nnc3n2CC[N@@H+](CC[C@H]2CC[NH2+]C2)C3)c1 ZINC000652344404 452517438 /nfs/dbraw/zinc/51/74/38/452517438.db2.gz AKRAVDKMZKLQQJ-CQSZACIVSA-N 2 1 329.423 1.823 20 0 EDADMP Fc1cccc(Cc2nnc3n2CC[N@H+](CC[C@H]2CC[NH2+]C2)C3)c1 ZINC000652344404 452517447 /nfs/dbraw/zinc/51/74/47/452517447.db2.gz AKRAVDKMZKLQQJ-CQSZACIVSA-N 2 1 329.423 1.823 20 0 EDADMP OCCn1ncc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655698696 452519383 /nfs/dbraw/zinc/51/93/83/452519383.db2.gz UJCHATFMXXMZAP-FUHWJXTLSA-N 2 1 348.491 1.486 20 0 EDADMP Cc1ccc(C(=O)NCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655697626 452519978 /nfs/dbraw/zinc/51/99/78/452519978.db2.gz SVNVVYIAJKOHAT-LJQANCHMSA-N 2 1 345.487 1.958 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)N3CCc4ccccc43)C2)C1 ZINC000652345494 452520566 /nfs/dbraw/zinc/52/05/66/452520566.db2.gz CONZGAVRXOARGQ-SCTDSRPQSA-N 2 1 343.471 1.794 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347334 452523286 /nfs/dbraw/zinc/52/32/86/452523286.db2.gz YWNMAXJFOBYNOO-WOYTXXSLSA-N 2 1 325.497 1.898 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1ccc(F)cc1 ZINC000655706254 452524815 /nfs/dbraw/zinc/52/48/15/452524815.db2.gz KGGDQXNCPONJGG-SJORKVTESA-N 2 1 338.423 1.408 20 0 EDADMP C[C@H]1CCC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)[C@H]1CC[NH3+] ZINC000652353531 452528257 /nfs/dbraw/zinc/52/82/57/452528257.db2.gz OOFIYMQGMHTRCR-ZFWWWQNUSA-N 2 1 333.432 1.481 20 0 EDADMP C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)[C@H]1CC[NH3+] ZINC000652353531 452528264 /nfs/dbraw/zinc/52/82/64/452528264.db2.gz OOFIYMQGMHTRCR-ZFWWWQNUSA-N 2 1 333.432 1.481 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)NC(C2CC2)C2CC2)C1 ZINC000652361904 452543908 /nfs/dbraw/zinc/54/39/08/452543908.db2.gz SDYFFHHQNBFEIZ-ZACQAIPSSA-N 2 1 335.492 1.652 20 0 EDADMP O=C(CC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21)N1CC[NH2+]CC1 ZINC000652364356 452546410 /nfs/dbraw/zinc/54/64/10/452546410.db2.gz KIZCNLVZRXCGOP-FHWLQOOXSA-N 2 1 343.471 1.803 20 0 EDADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835004 452570593 /nfs/dbraw/zinc/57/05/93/452570593.db2.gz IQOFYUSAFFKLOY-UHFFFAOYSA-N 2 1 346.519 1.571 20 0 EDADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835004 452570595 /nfs/dbraw/zinc/57/05/95/452570595.db2.gz IQOFYUSAFFKLOY-UHFFFAOYSA-N 2 1 346.519 1.571 20 0 EDADMP CCc1ccc(CN(C)C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647835139 452571589 /nfs/dbraw/zinc/57/15/89/452571589.db2.gz OFYTXYUIISZVQJ-UHFFFAOYSA-N 2 1 332.492 1.044 20 0 EDADMP CCc1ccc(CN(C)C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647835139 452571599 /nfs/dbraw/zinc/57/15/99/452571599.db2.gz OFYTXYUIISZVQJ-UHFFFAOYSA-N 2 1 332.492 1.044 20 0 EDADMP C[N@@H+](CCOc1ccccc1C(F)(F)F)CCN1CC[NH2+]CC1 ZINC000647835560 452573533 /nfs/dbraw/zinc/57/35/33/452573533.db2.gz BRHKCAYPUQBQPN-UHFFFAOYSA-N 2 1 331.382 1.921 20 0 EDADMP [NH3+]C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(F)(F)F ZINC000655921578 452684279 /nfs/dbraw/zinc/68/42/79/452684279.db2.gz PBEJDRLRGNOBIT-UHTWSYAYSA-N 2 1 334.386 1.534 20 0 EDADMP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000659820845 452709685 /nfs/dbraw/zinc/70/96/85/452709685.db2.gz VJPQMCCRQGXWJP-KDURUIRLSA-N 2 1 331.504 1.956 20 0 EDADMP C[C@@H]1C[N@H+](CCN2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000659820845 452709691 /nfs/dbraw/zinc/70/96/91/452709691.db2.gz VJPQMCCRQGXWJP-KDURUIRLSA-N 2 1 331.504 1.956 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(c3cc(N4CCC(C)(O)CC4)ncn3)[C@@H]2C1 ZINC000664036548 452734175 /nfs/dbraw/zinc/73/41/75/452734175.db2.gz QPPJJHHIENIIIW-LSDHHAIUSA-N 2 1 331.464 1.358 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CCN(C4CC4)CC3)cc2)C1 ZINC000658137374 452746537 /nfs/dbraw/zinc/74/65/37/452746537.db2.gz KOMKSMOHLDKLHE-HXUWFJFHSA-N 2 1 329.488 1.970 20 0 EDADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000658137374 452746545 /nfs/dbraw/zinc/74/65/45/452746545.db2.gz KOMKSMOHLDKLHE-HXUWFJFHSA-N 3 1 329.488 1.970 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000658137374 452746551 /nfs/dbraw/zinc/74/65/51/452746551.db2.gz KOMKSMOHLDKLHE-HXUWFJFHSA-N 3 1 329.488 1.970 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964450 452746749 /nfs/dbraw/zinc/74/67/49/452746749.db2.gz ULUBPDUNLSMQSG-LJIZCISZSA-N 2 1 326.485 1.301 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964450 452746756 /nfs/dbraw/zinc/74/67/56/452746756.db2.gz ULUBPDUNLSMQSG-LJIZCISZSA-N 2 1 326.485 1.301 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000655971157 452752581 /nfs/dbraw/zinc/75/25/81/452752581.db2.gz UPGFMZVXMSKZOB-ARKGTOAJSA-N 2 1 326.485 1.253 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000655971157 452752587 /nfs/dbraw/zinc/75/25/87/452752587.db2.gz UPGFMZVXMSKZOB-ARKGTOAJSA-N 2 1 326.485 1.253 20 0 EDADMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000652616816 452775194 /nfs/dbraw/zinc/77/51/94/452775194.db2.gz BYJCEYUILSZRMI-AWEZNQCLSA-N 2 1 344.419 1.236 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000654665619 452780899 /nfs/dbraw/zinc/78/08/99/452780899.db2.gz PPMLEPISLXUEKS-CEXWTWQISA-N 2 1 344.503 1.895 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000654665619 452780906 /nfs/dbraw/zinc/78/09/06/452780906.db2.gz PPMLEPISLXUEKS-CEXWTWQISA-N 2 1 344.503 1.895 20 0 EDADMP CC[N@@H+](CCCNC(=O)C(=O)N[C@H](C)CC[NH3+])C1CCCCC1 ZINC000652698961 452847690 /nfs/dbraw/zinc/84/76/90/452847690.db2.gz NFGQSKKTRNNEPL-CQSZACIVSA-N 2 1 326.485 1.001 20 0 EDADMP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1CCCCC1 ZINC000652705251 452858477 /nfs/dbraw/zinc/85/84/77/452858477.db2.gz CLJVZOPYBIPGJN-CABCVRRESA-N 2 1 340.512 1.389 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654734224 452861314 /nfs/dbraw/zinc/86/13/14/452861314.db2.gz COBWWBPPDRNQMR-BBWFWOEESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654734224 452861323 /nfs/dbraw/zinc/86/13/23/452861323.db2.gz COBWWBPPDRNQMR-BBWFWOEESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654734224 452861335 /nfs/dbraw/zinc/86/13/35/452861335.db2.gz COBWWBPPDRNQMR-BBWFWOEESA-N 2 1 338.496 1.149 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000648175932 452887194 /nfs/dbraw/zinc/88/71/94/452887194.db2.gz GLJXIBZFFQHHTK-RVKKMQEKSA-N 2 1 333.480 1.261 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000648178033 452889269 /nfs/dbraw/zinc/88/92/69/452889269.db2.gz LHVNVAGTKGRLCD-ROUUACIJSA-N 2 1 344.503 1.471 20 0 EDADMP CNS(=O)(=O)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000659983425 452892053 /nfs/dbraw/zinc/89/20/53/452892053.db2.gz MAIYFRIMVGFKAI-UKRRQHHQSA-N 2 1 325.478 1.509 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000659983425 452892059 /nfs/dbraw/zinc/89/20/59/452892059.db2.gz MAIYFRIMVGFKAI-UKRRQHHQSA-N 2 1 325.478 1.509 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000648211262 452916871 /nfs/dbraw/zinc/91/68/71/452916871.db2.gz MTYCOEPYOPTVLM-MRXNPFEDSA-N 2 1 345.491 1.423 20 0 EDADMP Cc1nn(C)c2ncc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cc12 ZINC000650706304 452942952 /nfs/dbraw/zinc/94/29/52/452942952.db2.gz IEHLYFHTTFINCF-LZLYRXPVSA-N 2 1 343.475 1.995 20 0 EDADMP CN(C)C(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)[nH]1 ZINC000650723827 452952436 /nfs/dbraw/zinc/95/24/36/452952436.db2.gz URYHRUIAMCXLEJ-IAOVAPTHSA-N 2 1 334.464 1.577 20 0 EDADMP COCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000648280404 452967348 /nfs/dbraw/zinc/96/73/48/452967348.db2.gz SBMYLGNGQHWCGP-HNNXBMFYSA-N 2 1 329.404 1.108 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000648280404 452967352 /nfs/dbraw/zinc/96/73/52/452967352.db2.gz SBMYLGNGQHWCGP-HNNXBMFYSA-N 2 1 329.404 1.108 20 0 EDADMP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000662253630 452981467 /nfs/dbraw/zinc/98/14/67/452981467.db2.gz BBKSXXNCWNIEFM-CZUORRHYSA-N 2 1 349.862 1.898 20 0 EDADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000662253630 452981476 /nfs/dbraw/zinc/98/14/76/452981476.db2.gz BBKSXXNCWNIEFM-CZUORRHYSA-N 2 1 349.862 1.898 20 0 EDADMP O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255652 452985192 /nfs/dbraw/zinc/98/51/92/452985192.db2.gz ZRRQASAMFQRNEM-HZPDHXFCSA-N 2 1 348.422 1.543 20 0 EDADMP Cc1nc(CN2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)no1 ZINC000662264607 452994358 /nfs/dbraw/zinc/99/43/58/452994358.db2.gz SXIKZNVPZDPJKK-UHFFFAOYSA-N 2 1 327.432 1.342 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccncc1 ZINC000664323214 452998163 /nfs/dbraw/zinc/99/81/63/452998163.db2.gz ARRLGCZQCMNYEI-HOTGVXAUSA-N 2 1 335.496 1.756 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccncc1 ZINC000664323214 452998171 /nfs/dbraw/zinc/99/81/71/452998171.db2.gz ARRLGCZQCMNYEI-HOTGVXAUSA-N 2 1 335.496 1.756 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000662274151 453003097 /nfs/dbraw/zinc/00/30/97/453003097.db2.gz FLVFFYRKQGPNHD-JKSUJKDBSA-N 2 1 337.489 1.416 20 0 EDADMP OCC1([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC[NH2+]CC1 ZINC000662286894 453011801 /nfs/dbraw/zinc/01/18/01/453011801.db2.gz NXQGNWOAFRKKNT-UHFFFAOYSA-N 2 1 336.823 1.637 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000652887720 453051491 /nfs/dbraw/zinc/05/14/91/453051491.db2.gz JDRLCQXBNMLLNZ-GOSISDBHSA-N 2 1 331.460 1.419 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000652887720 453051500 /nfs/dbraw/zinc/05/15/00/453051500.db2.gz JDRLCQXBNMLLNZ-GOSISDBHSA-N 2 1 331.460 1.419 20 0 EDADMP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652893450 453068674 /nfs/dbraw/zinc/06/86/74/453068674.db2.gz JWYRSTPZLMSJHD-LJQANCHMSA-N 2 1 343.471 1.564 20 0 EDADMP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652893450 453068680 /nfs/dbraw/zinc/06/86/80/453068680.db2.gz JWYRSTPZLMSJHD-LJQANCHMSA-N 2 1 343.471 1.564 20 0 EDADMP C[C@@H](CNC(=O)c1cc(C2CC[NH2+]CC2)no1)[N@H+]1CCC[C@@H](C)C1 ZINC000662386682 453097203 /nfs/dbraw/zinc/09/72/03/453097203.db2.gz DPWCVTRQIIVVGQ-KGLIPLIRSA-N 2 1 334.464 1.992 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662391790 453102474 /nfs/dbraw/zinc/10/24/74/453102474.db2.gz IPJAHQKSLPNFJD-RISCZKNCSA-N 2 1 340.265 1.907 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000655011321 453132309 /nfs/dbraw/zinc/13/23/09/453132309.db2.gz XDKVJUGWYFYYFE-SFHVURJKSA-N 2 1 345.491 1.782 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc(-c3cccc(C[NH3+])c3)nn2)C1 ZINC000656449054 453188818 /nfs/dbraw/zinc/18/88/18/453188818.db2.gz XDSHFJYKWSJTBT-KRWDZBQOSA-N 2 1 329.448 1.761 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NCc2cccnc2N2CCOCC2)C1 ZINC000660313433 453205055 /nfs/dbraw/zinc/20/50/55/453205055.db2.gz PTBJHNNLMBBBOF-MRXNPFEDSA-N 2 1 347.463 1.202 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000648735176 453223229 /nfs/dbraw/zinc/22/32/29/453223229.db2.gz DLIFQIYQLZLGHC-VQIMIIECSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000648735176 453223237 /nfs/dbraw/zinc/22/32/37/453223237.db2.gz DLIFQIYQLZLGHC-VQIMIIECSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000648735176 453223245 /nfs/dbraw/zinc/22/32/45/453223245.db2.gz DLIFQIYQLZLGHC-VQIMIIECSA-N 2 1 344.503 1.390 20 0 EDADMP [NH3+]CCOCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000646249070 453254346 /nfs/dbraw/zinc/25/43/46/453254346.db2.gz HSDGPBMWAQYZSB-ROUUACIJSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@@H](CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[NH+](C)C ZINC000666950624 453275002 /nfs/dbraw/zinc/27/50/02/453275002.db2.gz ZEPRUHHFEFKAHM-ARFHVFGLSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000648794300 453280634 /nfs/dbraw/zinc/28/06/34/453280634.db2.gz IQAMFFSSLFBGEO-QFHJOOASSA-N 2 1 345.487 1.732 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000648794300 453280639 /nfs/dbraw/zinc/28/06/39/453280639.db2.gz IQAMFFSSLFBGEO-QFHJOOASSA-N 2 1 345.487 1.732 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000648794300 453280643 /nfs/dbraw/zinc/28/06/43/453280643.db2.gz IQAMFFSSLFBGEO-QFHJOOASSA-N 2 1 345.487 1.732 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000648794300 453280647 /nfs/dbraw/zinc/28/06/47/453280647.db2.gz IQAMFFSSLFBGEO-QFHJOOASSA-N 2 1 345.487 1.732 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)COCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000646297012 453295303 /nfs/dbraw/zinc/29/53/03/453295303.db2.gz BHXGAEGMGQTOGR-NVXWUHKLSA-N 2 1 341.402 1.580 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](NC(=O)COCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000646297012 453295313 /nfs/dbraw/zinc/29/53/13/453295313.db2.gz BHXGAEGMGQTOGR-NVXWUHKLSA-N 2 1 341.402 1.580 20 0 EDADMP c1cc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000656609899 453316878 /nfs/dbraw/zinc/31/68/78/453316878.db2.gz ZFFHZBPRHYZTGS-MRXNPFEDSA-N 2 1 331.464 1.529 20 0 EDADMP CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000648851194 453328607 /nfs/dbraw/zinc/32/86/07/453328607.db2.gz LHQHJWYKYCSRMP-KRWDZBQOSA-N 2 1 348.491 1.863 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000648871019 453347874 /nfs/dbraw/zinc/34/78/74/453347874.db2.gz UIGDUTBIMCEMKO-GJZGRUSLSA-N 2 1 336.480 1.700 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000648871019 453347877 /nfs/dbraw/zinc/34/78/77/453347877.db2.gz UIGDUTBIMCEMKO-GJZGRUSLSA-N 2 1 336.480 1.700 20 0 EDADMP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000653156764 453348744 /nfs/dbraw/zinc/34/87/44/453348744.db2.gz KUNAXNCAKHVWBA-NFBUACBFSA-N 2 1 343.471 1.249 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000653166889 453359825 /nfs/dbraw/zinc/35/98/25/453359825.db2.gz HQKPPSGSPKKMLC-NPYXIHBLSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000653166889 453359828 /nfs/dbraw/zinc/35/98/28/453359828.db2.gz HQKPPSGSPKKMLC-NPYXIHBLSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000653166889 453359831 /nfs/dbraw/zinc/35/98/31/453359831.db2.gz HQKPPSGSPKKMLC-NPYXIHBLSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662668463 453382553 /nfs/dbraw/zinc/38/25/53/453382553.db2.gz MRTOSSQXGPBYJQ-MRXNPFEDSA-N 2 1 331.460 1.419 20 0 EDADMP CC(C)(CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000662679869 453400362 /nfs/dbraw/zinc/40/03/62/453400362.db2.gz QQYKJRZKMQVQMY-DLBZAZTESA-N 2 1 331.460 1.303 20 0 EDADMP CN1CC[NH+](CC2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000646458637 453406559 /nfs/dbraw/zinc/40/65/59/453406559.db2.gz CGAIRWGRXPYWNW-SFHVURJKSA-N 2 1 334.508 1.099 20 0 EDADMP C[NH+]1CCN(CC2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000646458637 453406566 /nfs/dbraw/zinc/40/65/66/453406566.db2.gz CGAIRWGRXPYWNW-SFHVURJKSA-N 2 1 334.508 1.099 20 0 EDADMP C[NH+]1CCN(CC2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000646458637 453406572 /nfs/dbraw/zinc/40/65/72/453406572.db2.gz CGAIRWGRXPYWNW-SFHVURJKSA-N 2 1 334.508 1.099 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2cccc3c2C[NH2+]C3)C[C@H](C)O1 ZINC000662686894 453408123 /nfs/dbraw/zinc/40/81/23/453408123.db2.gz BSUZMNFKGVSQQG-GASCZTMLSA-N 2 1 331.460 1.909 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000662690488 453410814 /nfs/dbraw/zinc/41/08/14/453410814.db2.gz ABKDQXWSTJMUFI-KURKYZTESA-N 2 1 331.460 1.379 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000662740785 453465960 /nfs/dbraw/zinc/46/59/60/453465960.db2.gz BXTNNGVEAZVMKW-HKUYNNGSSA-N 2 1 344.503 1.309 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000662740785 453465969 /nfs/dbraw/zinc/46/59/69/453465969.db2.gz BXTNNGVEAZVMKW-HKUYNNGSSA-N 2 1 344.503 1.309 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662743692 453471710 /nfs/dbraw/zinc/47/17/10/453471710.db2.gz KWHQCYZNBQUVEK-HKUYNNGSSA-N 2 1 332.492 1.436 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662743692 453471717 /nfs/dbraw/zinc/47/17/17/453471717.db2.gz KWHQCYZNBQUVEK-HKUYNNGSSA-N 2 1 332.492 1.436 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662748280 453478906 /nfs/dbraw/zinc/47/89/06/453478906.db2.gz OLODTBTUZIXKSF-MRXNPFEDSA-N 2 1 340.418 1.107 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662757071 453493386 /nfs/dbraw/zinc/49/33/86/453493386.db2.gz KEUZHZRJAVAOQW-ROUUACIJSA-N 2 1 346.475 1.126 20 0 EDADMP [NH3+][C@@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc(F)cc1F ZINC000662763911 453500685 /nfs/dbraw/zinc/50/06/85/453500685.db2.gz JYQUQZPPWGZLER-BDJLRTHQSA-N 2 1 332.354 1.814 20 0 EDADMP O[C@@H](COC1CCOCC1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675608 453504201 /nfs/dbraw/zinc/50/42/01/453504201.db2.gz GACSSBSQMJPVMZ-LJQANCHMSA-N 2 1 348.487 1.797 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)C[C@H](C)O1 ZINC000655445730 453532709 /nfs/dbraw/zinc/53/27/09/453532709.db2.gz KMALZYQFKDQNIC-CNMWIUBYSA-N 2 1 335.492 1.476 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)C[C@H](C)O1 ZINC000655445730 453532716 /nfs/dbraw/zinc/53/27/16/453532716.db2.gz KMALZYQFKDQNIC-CNMWIUBYSA-N 2 1 335.492 1.476 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCOCC1 ZINC000660710122 453538188 /nfs/dbraw/zinc/53/81/88/453538188.db2.gz KEFIXQGWUNEIBR-AWEZNQCLSA-N 2 1 326.485 1.269 20 0 EDADMP [NH3+]Cc1nc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000662858779 453573780 /nfs/dbraw/zinc/57/37/80/453573780.db2.gz IDXHIZZOZWZVLA-CQSZACIVSA-N 2 1 346.456 1.098 20 0 EDADMP [NH3+]Cc1nc(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000662858779 453573784 /nfs/dbraw/zinc/57/37/84/453573784.db2.gz IDXHIZZOZWZVLA-CQSZACIVSA-N 2 1 346.456 1.098 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1([NH2+]C2CC2)CCC1 ZINC000662859883 453575101 /nfs/dbraw/zinc/57/51/01/453575101.db2.gz PPXUMXVXOBYLTJ-SFHVURJKSA-N 2 1 343.471 1.544 20 0 EDADMP CC[N@H+]1CCCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659032737 453589859 /nfs/dbraw/zinc/58/98/59/453589859.db2.gz GYFLTENBIMCQQU-QGZVFWFLSA-N 2 1 332.448 1.907 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](OC)[C@H]3CCOC3)CC2)CC1 ZINC000660834632 453597049 /nfs/dbraw/zinc/59/70/49/453597049.db2.gz ORXDTRSANAVKRF-PKOBYXMFSA-N 2 1 339.524 1.530 20 0 EDADMP CC[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000665170416 453599880 /nfs/dbraw/zinc/59/98/80/453599880.db2.gz MRZWFTGHPWBJQI-ARFHVFGLSA-N 2 1 328.501 1.515 20 0 EDADMP CC[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000665170416 453599883 /nfs/dbraw/zinc/59/98/83/453599883.db2.gz MRZWFTGHPWBJQI-ARFHVFGLSA-N 2 1 328.501 1.515 20 0 EDADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000665234566 453618580 /nfs/dbraw/zinc/61/85/80/453618580.db2.gz GCLJNSQIZGCJCC-RWMBFGLXSA-N 2 1 330.354 1.742 20 0 EDADMP CC[C@@H](NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000665285637 453635772 /nfs/dbraw/zinc/63/57/72/453635772.db2.gz SETBQRWUPHCIAN-ZCNNSNEGSA-N 2 1 330.520 1.923 20 0 EDADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000665291125 453638391 /nfs/dbraw/zinc/63/83/91/453638391.db2.gz VAGDMERWNMBNLH-LBPRGKRZSA-N 2 1 329.404 1.456 20 0 EDADMP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000665361588 453667219 /nfs/dbraw/zinc/66/72/19/453667219.db2.gz SCQUWFNYSKLLBH-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665361588 453667222 /nfs/dbraw/zinc/66/72/22/453667222.db2.gz SCQUWFNYSKLLBH-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000665361588 453667225 /nfs/dbraw/zinc/66/72/25/453667225.db2.gz SCQUWFNYSKLLBH-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000661006545 453678331 /nfs/dbraw/zinc/67/83/31/453678331.db2.gz XKWDBOXBBOIVMM-MRXNPFEDSA-N 2 1 349.479 1.029 20 0 EDADMP COC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000661157640 453740204 /nfs/dbraw/zinc/74/02/04/453740204.db2.gz JBFGNUMNUFPCQG-MOPGFXCFSA-N 2 1 336.476 1.511 20 0 EDADMP COC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000661157640 453740207 /nfs/dbraw/zinc/74/02/07/453740207.db2.gz JBFGNUMNUFPCQG-MOPGFXCFSA-N 2 1 336.476 1.511 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCc1ccc(F)cc1 ZINC000663413156 453792156 /nfs/dbraw/zinc/79/21/56/453792156.db2.gz HFROMWMCHABAOY-HNNXBMFYSA-N 2 1 338.471 1.939 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C[NH+]1CCCCC1 ZINC000672750835 486789462 /nfs/dbraw/zinc/78/94/62/486789462.db2.gz ZGXYGAAHBBEKLY-MRXNPFEDSA-N 2 1 340.512 1.207 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000676543220 486801034 /nfs/dbraw/zinc/80/10/34/486801034.db2.gz ZYLLMFWAOMAGKB-WCVJEAGWSA-N 2 1 326.485 1.077 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000676543220 486801035 /nfs/dbraw/zinc/80/10/35/486801035.db2.gz ZYLLMFWAOMAGKB-WCVJEAGWSA-N 2 1 326.485 1.077 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000676543220 486801036 /nfs/dbraw/zinc/80/10/36/486801036.db2.gz ZYLLMFWAOMAGKB-WCVJEAGWSA-N 2 1 326.485 1.077 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000676543220 486801037 /nfs/dbraw/zinc/80/10/37/486801037.db2.gz ZYLLMFWAOMAGKB-WCVJEAGWSA-N 2 1 326.485 1.077 20 0 EDADMP C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)n2)CC1 ZINC000683813298 486825611 /nfs/dbraw/zinc/82/56/11/486825611.db2.gz RQVWPGOJVDLAIR-HNNXBMFYSA-N 2 1 346.479 1.756 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000431014231 486900827 /nfs/dbraw/zinc/90/08/27/486900827.db2.gz ICQYODFBHCJDHD-MSOLQXFVSA-N 2 1 346.475 1.379 20 0 EDADMP C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681136491 486947641 /nfs/dbraw/zinc/94/76/41/486947641.db2.gz VNJDDNPMIOITRK-GOSISDBHSA-N 2 1 348.535 1.743 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000684184230 486972945 /nfs/dbraw/zinc/97/29/45/486972945.db2.gz RONLAKYUHOZZJD-DLBZAZTESA-N 2 1 349.450 1.885 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCS(N)(=O)=O ZINC000681411651 487036345 /nfs/dbraw/zinc/03/63/45/487036345.db2.gz AIUAFFXGRYKIHU-ZBFHGGJFSA-N 2 1 325.478 1.165 20 0 EDADMP C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000673556718 487060126 /nfs/dbraw/zinc/06/01/26/487060126.db2.gz YDOYKBPOBGKYDP-INIZCTEOSA-N 2 1 349.479 1.306 20 0 EDADMP C[C@H](NC(=O)N(C)C[C@@H]1CCc2[nH+]ccn2C1)C1CC[NH+](C)CC1 ZINC000681872622 487212716 /nfs/dbraw/zinc/21/27/16/487212716.db2.gz BUUAHJGMXBCYIG-GJZGRUSLSA-N 2 1 333.480 1.817 20 0 EDADMP FC(F)CN1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000675880312 487455812 /nfs/dbraw/zinc/45/58/12/487455812.db2.gz DAGGJNRRNKUFFO-MRXNPFEDSA-N 2 1 331.451 1.949 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000669517966 485483573 /nfs/dbraw/zinc/48/35/73/485483573.db2.gz CNPYEXKSHNJRNJ-CZUORRHYSA-N 2 1 338.427 1.015 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000669534252 485512029 /nfs/dbraw/zinc/51/20/29/485512029.db2.gz DJUYDEJJOPGYAJ-YLFCFFPRSA-N 2 1 338.496 1.317 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)[NH+](C)C ZINC000668641832 485985464 /nfs/dbraw/zinc/98/54/64/485985464.db2.gz AGPQRJULAFCQJK-GDBMZVCRSA-N 2 1 334.464 1.678 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000422705386 486009928 /nfs/dbraw/zinc/00/99/28/486009928.db2.gz ROCMRPMBRKJJLO-GZBFAFLISA-N 2 1 325.478 1.633 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000636442785 486239478 /nfs/dbraw/zinc/23/94/78/486239478.db2.gz TXEYYLSZHJGEIL-ZWKOTPCHSA-N 2 1 346.475 1.189 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC(C)([NH3+])CC2)[C@@H](C)C1 ZINC000669486263 486253161 /nfs/dbraw/zinc/25/31/61/486253161.db2.gz OCANGOKYRNITTQ-HOTGVXAUSA-N 2 1 340.512 1.646 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494912 486267845 /nfs/dbraw/zinc/26/78/45/486267845.db2.gz VDPSCTUWWFCXIK-NUJGCVRESA-N 2 1 348.491 1.573 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494912 486267850 /nfs/dbraw/zinc/26/78/50/486267850.db2.gz VDPSCTUWWFCXIK-NUJGCVRESA-N 2 1 348.491 1.573 20 0 EDADMP C[C@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)CC[N@H+]1Cc1ccccc1 ZINC000379666813 486636866 /nfs/dbraw/zinc/63/68/66/486636866.db2.gz XQVSIWXMWABAGT-GOEBONIOSA-N 2 1 342.447 1.020 20 0 EDADMP C[C@H](NC(=O)NCCCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494716 490998443 /nfs/dbraw/zinc/99/84/43/490998443.db2.gz IGQLSFPMOQURLP-RDJZCZTQSA-N 2 1 334.464 1.314 20 0 EDADMP C[C@H](NC(=O)NCCCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494716 490998444 /nfs/dbraw/zinc/99/84/44/490998444.db2.gz IGQLSFPMOQURLP-RDJZCZTQSA-N 2 1 334.464 1.314 20 0 EDADMP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000123189434 491001983 /nfs/dbraw/zinc/00/19/83/491001983.db2.gz XBVWJKMIFBQJLC-PRLABOORSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000123189434 491001984 /nfs/dbraw/zinc/00/19/84/491001984.db2.gz XBVWJKMIFBQJLC-PRLABOORSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000669007216 491184093 /nfs/dbraw/zinc/18/40/93/491184093.db2.gz IWTWTSZCWMFJLO-SOLBZPMBSA-N 2 1 338.496 1.271 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(S(=O)(=O)NC)c2)[C@H](C)C1 ZINC000131978078 527801723 /nfs/dbraw/zinc/80/17/23/527801723.db2.gz BXPUVALRXRQOKO-CZUORRHYSA-N 2 1 325.478 1.415 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(S(=O)(=O)NC)c2)[C@H](C)C1 ZINC000131978078 527801729 /nfs/dbraw/zinc/80/17/29/527801729.db2.gz BXPUVALRXRQOKO-CZUORRHYSA-N 2 1 325.478 1.415 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184240414 527958401 /nfs/dbraw/zinc/95/84/01/527958401.db2.gz AWFYGQFEVLLCOQ-UHFFFAOYSA-N 2 1 325.497 1.855 20 0 EDADMP CC(C)N(C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)C1CCCC1 ZINC000352779542 534933560 /nfs/dbraw/zinc/93/35/60/534933560.db2.gz QCGCXSJNCSQKRZ-UHFFFAOYSA-N 2 1 338.540 1.735 20 0 EDADMP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000246953564 534980059 /nfs/dbraw/zinc/98/00/59/534980059.db2.gz USEUKSNONREDET-DZGCQCFKSA-N 2 1 334.464 1.266 20 0 EDADMP CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000246953564 534980066 /nfs/dbraw/zinc/98/00/66/534980066.db2.gz USEUKSNONREDET-DZGCQCFKSA-N 2 1 334.464 1.266 20 0 EDADMP CC1(C)NC(=O)N(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000246953564 534980071 /nfs/dbraw/zinc/98/00/71/534980071.db2.gz USEUKSNONREDET-DZGCQCFKSA-N 2 1 334.464 1.266 20 0 EDADMP CC1(C)NC(=O)N(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000246953564 534980076 /nfs/dbraw/zinc/98/00/76/534980076.db2.gz USEUKSNONREDET-DZGCQCFKSA-N 2 1 334.464 1.266 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000339349165 535120971 /nfs/dbraw/zinc/12/09/71/535120971.db2.gz MZJAGTLYRZQDRG-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP CCC(CC)[C@H](CNC(=O)NCC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000352662507 535142533 /nfs/dbraw/zinc/14/25/33/535142533.db2.gz APMIGEHGGOSRPJ-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP CC(CN1CC[NH+](C2CCC2)CC1)CN1CC[NH+](C2CCC2)CC1 ZINC000346653626 535176900 /nfs/dbraw/zinc/17/69/00/535176900.db2.gz WVAQOUNSUXCRBX-UHFFFAOYSA-N 2 1 334.552 1.963 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000342692743 535548067 /nfs/dbraw/zinc/54/80/67/535548067.db2.gz LHYKTDOGBPOSTO-KGLIPLIRSA-N 2 1 333.423 1.191 20 0 EDADMP CCOc1ccnc(N2CCC[N@H+](CC[C@H]3CCC[NH+]3C)CC2)n1 ZINC000245589210 535557211 /nfs/dbraw/zinc/55/72/11/535557211.db2.gz KJEMECAIYBETSV-MRXNPFEDSA-N 2 1 333.480 1.872 20 0 EDADMP CCOc1ccnc(N2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)CC2)n1 ZINC000245589210 535557217 /nfs/dbraw/zinc/55/72/17/535557217.db2.gz KJEMECAIYBETSV-MRXNPFEDSA-N 2 1 333.480 1.872 20 0 EDADMP CCOc1ccnc(N2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000245589210 535557218 /nfs/dbraw/zinc/55/72/18/535557218.db2.gz KJEMECAIYBETSV-MRXNPFEDSA-N 2 1 333.480 1.872 20 0 EDADMP CCOc1ccnc(N2CCC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000245589210 535557222 /nfs/dbraw/zinc/55/72/22/535557222.db2.gz KJEMECAIYBETSV-MRXNPFEDSA-N 2 1 333.480 1.872 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC000246916862 535595905 /nfs/dbraw/zinc/59/59/05/535595905.db2.gz QLOJQPPXFWMPRD-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1)C(C)C ZINC000236994653 535783015 /nfs/dbraw/zinc/78/30/15/535783015.db2.gz FKQNMYSSXTWHHZ-UHFFFAOYSA-N 2 1 332.492 1.552 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000261581541 536303755 /nfs/dbraw/zinc/30/37/55/536303755.db2.gz QQYPORSJEDRAJZ-UHFFFAOYSA-N 2 1 344.503 1.405 20 0 EDADMP C[N@@H+](CCOc1cccc(CNC2=[NH+]CCCN2)c1)C1CCOCC1 ZINC000262122005 536401019 /nfs/dbraw/zinc/40/10/19/536401019.db2.gz MFOIRSMOTSYEKA-UHFFFAOYSA-N 2 1 346.475 1.615 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000347016685 536664449 /nfs/dbraw/zinc/66/44/49/536664449.db2.gz JWPZTYVIPQKSLX-KRWDZBQOSA-N 2 1 345.443 1.117 20 0 EDADMP Cc1cccc(NCCNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)[nH+]1 ZINC000743464738 579480998 /nfs/dbraw/zinc/48/09/98/579480998.db2.gz ULJJCCPBOGDIIL-KRWDZBQOSA-N 2 1 334.464 1.711 20 0 EDADMP O=C(Nc1cccc(F)c1)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000725844444 578288204 /nfs/dbraw/zinc/28/82/04/578288204.db2.gz SKFVBIQEYUNSHZ-SFHVURJKSA-N 2 1 349.450 1.933 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCCC[C@H]1C ZINC000729496842 578577485 /nfs/dbraw/zinc/57/74/85/578577485.db2.gz KNVODTJRKNGQIF-NCOADZHNSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)[N@@H+]1CCCC[C@H]1C ZINC000729496842 578577486 /nfs/dbraw/zinc/57/74/86/578577486.db2.gz KNVODTJRKNGQIF-NCOADZHNSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)[N@H+]1CCCC[C@H]1C ZINC000729496842 578577487 /nfs/dbraw/zinc/57/74/87/578577487.db2.gz KNVODTJRKNGQIF-NCOADZHNSA-N 2 1 338.496 1.412 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)C1 ZINC000729517016 578580424 /nfs/dbraw/zinc/58/04/24/578580424.db2.gz WFQSRYWUXICKOQ-SFHVURJKSA-N 2 1 338.455 1.831 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)C1 ZINC000729517016 578580426 /nfs/dbraw/zinc/58/04/26/578580426.db2.gz WFQSRYWUXICKOQ-SFHVURJKSA-N 2 1 338.455 1.831 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000732677804 578723008 /nfs/dbraw/zinc/72/30/08/578723008.db2.gz ZCQYUULSNQSYII-HZMVEIRTSA-N 2 1 336.480 1.118 20 0 EDADMP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000732677804 578723009 /nfs/dbraw/zinc/72/30/09/578723009.db2.gz ZCQYUULSNQSYII-HZMVEIRTSA-N 2 1 336.480 1.118 20 0 EDADMP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000732677804 578723010 /nfs/dbraw/zinc/72/30/10/578723010.db2.gz ZCQYUULSNQSYII-HZMVEIRTSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000735332290 578876871 /nfs/dbraw/zinc/87/68/71/578876871.db2.gz RZDJSGJLXOGJDK-HKUYNNGSSA-N 2 1 347.503 1.985 20 0 EDADMP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000735332290 578876872 /nfs/dbraw/zinc/87/68/72/578876872.db2.gz RZDJSGJLXOGJDK-HKUYNNGSSA-N 2 1 347.503 1.985 20 0 EDADMP CC(C)C[C@H]1CC(=O)N(C[NH+]2CCC(OCC[NH+](C)C)CC2)C1 ZINC000744435482 579510744 /nfs/dbraw/zinc/51/07/44/579510744.db2.gz VUWOWLCVRKCVNJ-INIZCTEOSA-N 2 1 325.497 1.881 20 0 EDADMP C[NH+](C)CCn1ccc2ccc(NC(=O)CC[NH+]3CCOCC3)cc21 ZINC000744590675 579516373 /nfs/dbraw/zinc/51/63/73/579516373.db2.gz YTOJFPMHNARQFZ-UHFFFAOYSA-N 2 1 344.459 1.864 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C[C@@H](C(C)C)CC2=O)C1 ZINC000747469629 579645150 /nfs/dbraw/zinc/64/51/50/579645150.db2.gz GMEDFDDZBBXBRL-DLBZAZTESA-N 2 1 325.497 1.881 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C[C@@H](C(C)C)CC2=O)C1 ZINC000747469629 579645152 /nfs/dbraw/zinc/64/51/52/579645152.db2.gz GMEDFDDZBBXBRL-DLBZAZTESA-N 2 1 325.497 1.881 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1cnn(C)c1 ZINC000750735167 579778934 /nfs/dbraw/zinc/77/89/34/579778934.db2.gz VHZXHXKWVBMHGX-IJDCCNJMSA-N 2 1 333.480 1.308 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCSC1 ZINC000764271103 580116878 /nfs/dbraw/zinc/11/68/78/580116878.db2.gz JAJRNEWPXNQYNN-HZPDHXFCSA-N 2 1 341.521 1.183 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)c2cccc(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764468326 580120989 /nfs/dbraw/zinc/12/09/89/580120989.db2.gz WDYCZJMBFMPYFU-LZQZEXGQSA-N 2 1 335.467 1.817 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764468326 580120990 /nfs/dbraw/zinc/12/09/90/580120990.db2.gz WDYCZJMBFMPYFU-LZQZEXGQSA-N 2 1 335.467 1.817 20 0 EDADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[NH+]1CCOCC1 ZINC000769640319 580241969 /nfs/dbraw/zinc/24/19/69/580241969.db2.gz QGSPDWLATWYTGF-IBGZPJMESA-N 2 1 347.503 1.982 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[NH+]1CCOCC1 ZINC000769640319 580241970 /nfs/dbraw/zinc/24/19/70/580241970.db2.gz QGSPDWLATWYTGF-IBGZPJMESA-N 2 1 347.503 1.982 20 0 EDADMP OCC1(Cc2ccccc2)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000769998880 580250644 /nfs/dbraw/zinc/25/06/44/580250644.db2.gz DLZGRBMGDMEQBQ-IBGZPJMESA-N 2 1 332.488 1.760 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771036662 580277910 /nfs/dbraw/zinc/27/79/10/580277910.db2.gz AKGXNMGAHXNFFS-KRWDZBQOSA-N 2 1 325.497 1.868 20 0 EDADMP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779013650 580477946 /nfs/dbraw/zinc/47/79/46/580477946.db2.gz HQVJHXUJKASHFJ-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779013650 580477947 /nfs/dbraw/zinc/47/79/47/580477947.db2.gz HQVJHXUJKASHFJ-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP CC(C)Cc1noc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000779649101 580492620 /nfs/dbraw/zinc/49/26/20/580492620.db2.gz HITUPGYSHMIXAF-GFCCVEGCSA-N 2 1 325.413 1.376 20 0 EDADMP CC(C)Cc1noc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000779649101 580492621 /nfs/dbraw/zinc/49/26/21/580492621.db2.gz HITUPGYSHMIXAF-GFCCVEGCSA-N 2 1 325.413 1.376 20 0 EDADMP CCCCC[C@H](C)NC(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779652681 580493010 /nfs/dbraw/zinc/49/30/10/580493010.db2.gz HQQQOXWBXRBKKS-GJZGRUSLSA-N 2 1 342.484 1.679 20 0 EDADMP CCCCC[C@H](C)NC(=O)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779652681 580493011 /nfs/dbraw/zinc/49/30/11/580493011.db2.gz HQQQOXWBXRBKKS-GJZGRUSLSA-N 2 1 342.484 1.679 20 0 EDADMP Cn1nc(Br)cc1C[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000785417211 580643320 /nfs/dbraw/zinc/64/33/20/580643320.db2.gz DXGKXQHFEWZSMK-UHFFFAOYSA-N 2 1 344.301 1.300 20 0 EDADMP CSC[C@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000793794816 580856545 /nfs/dbraw/zinc/85/65/45/580856545.db2.gz DLGNLWUTFIIHMX-ZDUSSCGKSA-N 2 1 340.493 1.035 20 0 EDADMP CSC[C@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000793794816 580856546 /nfs/dbraw/zinc/85/65/46/580856546.db2.gz DLGNLWUTFIIHMX-ZDUSSCGKSA-N 2 1 340.493 1.035 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)C[C@H](C)OC)cc2)CC1 ZINC000796638082 580958652 /nfs/dbraw/zinc/95/86/52/580958652.db2.gz FQKHJCFKDJKRAK-INIZCTEOSA-N 2 1 348.491 1.734 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)C[C@H](C)OC)cc2)CC1 ZINC000796638082 580958653 /nfs/dbraw/zinc/95/86/53/580958653.db2.gz FQKHJCFKDJKRAK-INIZCTEOSA-N 2 1 348.491 1.734 20 0 EDADMP CC(C)n1ncc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1N ZINC000798927764 581012088 /nfs/dbraw/zinc/01/20/88/581012088.db2.gz VZXDURPNVBFAKR-UHFFFAOYSA-N 2 1 343.435 1.445 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891957133 590707502 /nfs/dbraw/zinc/70/75/02/590707502.db2.gz UIYXBCVBJLNUQL-HOTGVXAUSA-N 2 1 338.496 1.176 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc3[nH]c(=O)oc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000892154319 590825534 /nfs/dbraw/zinc/82/55/34/590825534.db2.gz WYISAMZWXWURHP-YOEHRIQHSA-N 2 1 344.459 1.991 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc3[nH]c(=O)oc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000892154319 590825537 /nfs/dbraw/zinc/82/55/37/590825537.db2.gz WYISAMZWXWURHP-YOEHRIQHSA-N 2 1 344.459 1.991 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cn3ccnc3s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892154550 590826551 /nfs/dbraw/zinc/82/65/51/590826551.db2.gz ZBQSOYAOGWBHMH-GDBMZVCRSA-N 2 1 333.505 1.854 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cn3ccnc3s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892154550 590826554 /nfs/dbraw/zinc/82/65/54/590826554.db2.gz ZBQSOYAOGWBHMH-GDBMZVCRSA-N 2 1 333.505 1.854 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000892258333 590891296 /nfs/dbraw/zinc/89/12/96/590891296.db2.gz UNJVHFJMZRNPSM-CVEARBPZSA-N 2 1 340.431 1.421 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000892258333 590891299 /nfs/dbraw/zinc/89/12/99/590891299.db2.gz UNJVHFJMZRNPSM-CVEARBPZSA-N 2 1 340.431 1.421 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCC3([NH3+])CCOCC3)C2)cc1 ZINC000892279188 590909635 /nfs/dbraw/zinc/90/96/35/590909635.db2.gz QVERVWPWAPKVKG-QGZVFWFLSA-N 2 1 346.475 1.376 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892330357 590954951 /nfs/dbraw/zinc/95/49/51/590954951.db2.gz YLRXZLOHBVCQCQ-QGZVFWFLSA-N 2 1 330.476 1.956 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC[N@H+]1C ZINC000892412930 591017880 /nfs/dbraw/zinc/01/78/80/591017880.db2.gz HOPDGYNRAUZNSQ-QZTJIDSGSA-N 2 1 332.492 1.928 20 0 EDADMP [NH3+][C@H]1C[C@@H](CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000892549171 591068559 /nfs/dbraw/zinc/06/85/59/591068559.db2.gz PAUBEWYINUFVCT-WNRNVDISSA-N 2 1 328.460 1.640 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000892551711 591069328 /nfs/dbraw/zinc/06/93/28/591069328.db2.gz MRSOJXBWOMFTBX-RYQLBKOJSA-N 2 1 330.476 1.887 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891413814 591070310 /nfs/dbraw/zinc/07/03/10/591070310.db2.gz BQVMBGJSCFULMT-CVEARBPZSA-N 2 1 338.496 1.176 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000891563177 591129394 /nfs/dbraw/zinc/12/93/94/591129394.db2.gz ADFSBDUXASQHEH-YHUYYLMFSA-N 2 1 326.485 1.160 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000891590884 591138224 /nfs/dbraw/zinc/13/82/24/591138224.db2.gz FCCFTIZQWMIRNC-BGTYHANMSA-N 2 1 346.475 1.312 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000891590884 591138227 /nfs/dbraw/zinc/13/82/27/591138227.db2.gz FCCFTIZQWMIRNC-BGTYHANMSA-N 2 1 346.475 1.312 20 0 EDADMP C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000891590956 591138393 /nfs/dbraw/zinc/13/83/93/591138393.db2.gz GFKJPHLUONGIDZ-UBDQQSCGSA-N 2 1 344.459 1.032 20 0 EDADMP C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000891590956 591138396 /nfs/dbraw/zinc/13/83/96/591138396.db2.gz GFKJPHLUONGIDZ-UBDQQSCGSA-N 2 1 344.459 1.032 20 0 EDADMP C[C@H](CNC(=O)N(C)C1(C[NH3+])CCCCC1)CN1CC[NH+](C)CC1 ZINC000891604012 591145041 /nfs/dbraw/zinc/14/50/41/591145041.db2.gz VBVGVTLGASCNFT-MRXNPFEDSA-N 2 1 339.528 1.173 20 0 EDADMP C[C@@H](CNC(=O)N(C)CCCCCC[NH3+])CN1CC[NH+](C)CC1 ZINC000891603923 591145182 /nfs/dbraw/zinc/14/51/82/591145182.db2.gz SSPZDZKVGGTPLZ-INIZCTEOSA-N 2 1 327.517 1.030 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000891655488 591170948 /nfs/dbraw/zinc/17/09/48/591170948.db2.gz MSNFQGLSNKYEGA-BGTYHANMSA-N 2 1 328.460 1.795 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C[C@H](C)O1 ZINC000891698053 591188998 /nfs/dbraw/zinc/18/89/98/591188998.db2.gz AKUPYCBIFHHCCF-GEEKYZPCSA-N 2 1 338.496 1.077 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C[C@H](C)O1 ZINC000891698053 591189002 /nfs/dbraw/zinc/18/90/02/591189002.db2.gz AKUPYCBIFHHCCF-GEEKYZPCSA-N 2 1 338.496 1.077 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C[C@H](C)O1 ZINC000891698053 591189006 /nfs/dbraw/zinc/18/90/06/591189006.db2.gz AKUPYCBIFHHCCF-GEEKYZPCSA-N 2 1 338.496 1.077 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C[C@H](C)O1 ZINC000891698053 591189011 /nfs/dbraw/zinc/18/90/11/591189011.db2.gz AKUPYCBIFHHCCF-GEEKYZPCSA-N 2 1 338.496 1.077 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NCc2cc(N)cc[nH+]2)[C@@H]1c1ccccc1 ZINC000891723673 591199113 /nfs/dbraw/zinc/19/91/13/591199113.db2.gz SWENUASXCDQUNJ-IRXDYDNUSA-N 2 1 325.416 1.908 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC4(CCCCO4)CC3)cn2)CC1 ZINC000895654027 591241102 /nfs/dbraw/zinc/24/11/02/591241102.db2.gz NDPURHJBABVYKK-UHFFFAOYSA-N 2 1 345.491 1.764 20 0 EDADMP C[C@@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[N@H+]1CCc2sccc2C1 ZINC000895675945 591245062 /nfs/dbraw/zinc/24/50/62/591245062.db2.gz WIALHXINEOHVJJ-XJKSGUPXSA-N 2 1 349.500 1.332 20 0 EDADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895696745 591257189 /nfs/dbraw/zinc/25/71/89/591257189.db2.gz GFZJUCOFLIGSSE-OALUTQOASA-N 2 1 343.471 1.488 20 0 EDADMP C[C@H]1[C@@H](Nc2nc3ccccc3nc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000895737428 591265246 /nfs/dbraw/zinc/26/52/46/591265246.db2.gz UPPYKZZWMMUNAL-GJZGRUSLSA-N 2 1 340.475 1.886 20 0 EDADMP C[C@H]1[C@@H](Nc2nc3ccccc3nc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000895737428 591265248 /nfs/dbraw/zinc/26/52/48/591265248.db2.gz UPPYKZZWMMUNAL-GJZGRUSLSA-N 2 1 340.475 1.886 20 0 EDADMP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1nc(Br)nn1C ZINC000894399602 591302541 /nfs/dbraw/zinc/30/25/41/591302541.db2.gz HBVAHNRFVMCBIX-JTQLQIEISA-N 2 1 334.262 1.024 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4C)cn2)CC1 ZINC000896117316 591349329 /nfs/dbraw/zinc/34/93/29/591349329.db2.gz LVAOVBUHLLUKCA-SJORKVTESA-N 2 1 346.479 1.850 20 0 EDADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000898437474 591351989 /nfs/dbraw/zinc/35/19/89/591351989.db2.gz QPBUXWVVQURUBU-JZXOWHBKSA-N 2 1 347.459 1.012 20 0 EDADMP O=C(C[NH2+]Cc1cccc2[nH]c(=O)oc21)NCC[NH+]1CCCCCC1 ZINC000894600621 591355463 /nfs/dbraw/zinc/35/54/63/591355463.db2.gz IVBGPXTXPKIORR-UHFFFAOYSA-N 2 1 346.431 1.615 20 0 EDADMP C[C@@]1([C@@H]2CCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)COC(=O)N1 ZINC000896396513 591449547 /nfs/dbraw/zinc/44/95/47/591449547.db2.gz ZSPKEASSTKJYCR-KDOFPFPSSA-N 2 1 341.415 1.978 20 0 EDADMP C[C@@]1([C@@H]2CCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)COC(=O)N1 ZINC000896396513 591449550 /nfs/dbraw/zinc/44/95/50/591449550.db2.gz ZSPKEASSTKJYCR-KDOFPFPSSA-N 2 1 341.415 1.978 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)C3CCOCC3)cn2)CC1 ZINC000897451717 591456635 /nfs/dbraw/zinc/45/66/35/591456635.db2.gz PPSLPJGBIJJHHT-UHFFFAOYSA-N 2 1 347.507 1.771 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000897469136 591470700 /nfs/dbraw/zinc/47/07/00/591470700.db2.gz DTWPXHNUCSPXTR-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000897469134 591470742 /nfs/dbraw/zinc/47/07/42/591470742.db2.gz DTWPXHNUCSPXTR-DOTOQJQBSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000894989766 591509250 /nfs/dbraw/zinc/50/92/50/591509250.db2.gz MIENCRGHTHWPAA-ULQDDVLXSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000894989766 591509252 /nfs/dbraw/zinc/50/92/52/591509252.db2.gz MIENCRGHTHWPAA-ULQDDVLXSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000894989766 591509253 /nfs/dbraw/zinc/50/92/53/591509253.db2.gz MIENCRGHTHWPAA-ULQDDVLXSA-N 2 1 340.512 1.347 20 0 EDADMP C[NH+]1CCC2(CCN2C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000896608669 591551308 /nfs/dbraw/zinc/55/13/08/591551308.db2.gz HZLJPDLLDWRGFE-GJZGRUSLSA-N 2 1 338.521 1.446 20 0 EDADMP CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000897695039 591620135 /nfs/dbraw/zinc/62/01/35/591620135.db2.gz AOAJVDKMNBTIMS-SFHVURJKSA-N 2 1 339.480 1.575 20 0 EDADMP Cn1nc2c(c1C[N@H+]1CCC[C@H](N3CCOCC3)CC1)COCC2 ZINC000895232705 591670006 /nfs/dbraw/zinc/67/00/06/591670006.db2.gz CBBGYCMVSKYYMV-HNNXBMFYSA-N 2 1 334.464 1.180 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[C@H]1OC ZINC000895339616 591719401 /nfs/dbraw/zinc/71/94/01/591719401.db2.gz UMPOGCBIHDGXNV-FCGDIQPGSA-N 2 1 334.460 1.535 20 0 EDADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)nc1 ZINC000895339731 591719555 /nfs/dbraw/zinc/71/95/55/591719555.db2.gz WVHXLEWEPSLFOO-GOSISDBHSA-N 2 1 327.428 1.947 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000897077504 591734622 /nfs/dbraw/zinc/73/46/22/591734622.db2.gz LYKQKPBRTIAPSU-VDHUWJSZSA-N 2 1 331.460 1.515 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000897077504 591734625 /nfs/dbraw/zinc/73/46/25/591734625.db2.gz LYKQKPBRTIAPSU-VDHUWJSZSA-N 2 1 331.460 1.515 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000897077504 591734626 /nfs/dbraw/zinc/73/46/26/591734626.db2.gz LYKQKPBRTIAPSU-VDHUWJSZSA-N 2 1 331.460 1.515 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000897077504 591734632 /nfs/dbraw/zinc/73/46/32/591734632.db2.gz LYKQKPBRTIAPSU-VDHUWJSZSA-N 2 1 331.460 1.515 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000897077505 591734643 /nfs/dbraw/zinc/73/46/43/591734643.db2.gz LYKQKPBRTIAPSU-XOYOTBSWSA-N 2 1 331.460 1.515 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000897077505 591734646 /nfs/dbraw/zinc/73/46/46/591734646.db2.gz LYKQKPBRTIAPSU-XOYOTBSWSA-N 2 1 331.460 1.515 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000897077505 591734648 /nfs/dbraw/zinc/73/46/48/591734648.db2.gz LYKQKPBRTIAPSU-XOYOTBSWSA-N 2 1 331.460 1.515 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000897077505 591734651 /nfs/dbraw/zinc/73/46/51/591734651.db2.gz LYKQKPBRTIAPSU-XOYOTBSWSA-N 2 1 331.460 1.515 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCc2nnnn2C)cc1 ZINC000898038053 591765209 /nfs/dbraw/zinc/76/52/09/591765209.db2.gz DPHWSYHFKBZNMN-CYBMUJFWSA-N 2 1 325.420 1.988 20 0 EDADMP CN1CCc2nc(NC(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)sc2C1 ZINC000895484376 591778564 /nfs/dbraw/zinc/77/85/64/591778564.db2.gz WSLOUFNPABBKFI-CYBMUJFWSA-N 2 1 346.460 1.873 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1(F)F ZINC000895556923 591800619 /nfs/dbraw/zinc/80/06/19/591800619.db2.gz NELWWHCZCLSKTF-XBFCOCLRSA-N 2 1 325.359 1.646 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1(F)F ZINC000895556923 591800622 /nfs/dbraw/zinc/80/06/22/591800622.db2.gz NELWWHCZCLSKTF-XBFCOCLRSA-N 2 1 325.359 1.646 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000898298447 591863359 /nfs/dbraw/zinc/86/33/59/591863359.db2.gz MNQMIFFLRLYJJP-QGZVFWFLSA-N 2 1 326.400 1.906 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000898298447 591863360 /nfs/dbraw/zinc/86/33/60/591863360.db2.gz MNQMIFFLRLYJJP-QGZVFWFLSA-N 2 1 326.400 1.906 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000900016989 591869552 /nfs/dbraw/zinc/86/95/52/591869552.db2.gz XCJYUZBSPWUFLP-UYAOXDASSA-N 2 1 345.487 1.744 20 0 EDADMP C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000897352285 591887676 /nfs/dbraw/zinc/88/76/76/591887676.db2.gz HAKGMUKLDFLLQH-HZPDHXFCSA-N 2 1 349.519 1.866 20 0 EDADMP CC(C)[C@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[NH+]1CCC(C)CC1 ZINC000900190225 591934885 /nfs/dbraw/zinc/93/48/85/591934885.db2.gz DETZYTXUGFMMIA-HKUYNNGSSA-N 2 1 339.524 1.706 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000900210012 591944243 /nfs/dbraw/zinc/94/42/43/591944243.db2.gz WRUJYSBHGWIKBK-CVEARBPZSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000900210012 591944244 /nfs/dbraw/zinc/94/42/44/591944244.db2.gz WRUJYSBHGWIKBK-CVEARBPZSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000900210012 591944245 /nfs/dbraw/zinc/94/42/45/591944245.db2.gz WRUJYSBHGWIKBK-CVEARBPZSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000900210012 591944246 /nfs/dbraw/zinc/94/42/46/591944246.db2.gz WRUJYSBHGWIKBK-CVEARBPZSA-N 2 1 339.480 1.252 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1(O)CCOCC1 ZINC000899856274 591964307 /nfs/dbraw/zinc/96/43/07/591964307.db2.gz QUQCCFXAXNMYST-GOSISDBHSA-N 2 1 334.460 1.143 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cn1 ZINC000900292983 591975867 /nfs/dbraw/zinc/97/58/67/591975867.db2.gz QRIZPEFVVOSPPY-SFHVURJKSA-N 2 1 343.431 1.039 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cn1 ZINC000900292983 591975870 /nfs/dbraw/zinc/97/58/70/591975870.db2.gz QRIZPEFVVOSPPY-SFHVURJKSA-N 2 1 343.431 1.039 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900336411 591988138 /nfs/dbraw/zinc/98/81/38/591988138.db2.gz SWIFJDSMKWTDAP-BASYENTBSA-N 2 1 325.497 1.314 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900336411 591988141 /nfs/dbraw/zinc/98/81/41/591988141.db2.gz SWIFJDSMKWTDAP-BASYENTBSA-N 2 1 325.497 1.314 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900336411 591988143 /nfs/dbraw/zinc/98/81/43/591988143.db2.gz SWIFJDSMKWTDAP-BASYENTBSA-N 2 1 325.497 1.314 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900336411 591988145 /nfs/dbraw/zinc/98/81/45/591988145.db2.gz SWIFJDSMKWTDAP-BASYENTBSA-N 2 1 325.497 1.314 20 0 EDADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900387520 591997580 /nfs/dbraw/zinc/99/75/80/591997580.db2.gz ZAIKLCWOYHDCSC-QAPCUYQASA-N 2 1 328.416 1.252 20 0 EDADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900387520 591997583 /nfs/dbraw/zinc/99/75/83/591997583.db2.gz ZAIKLCWOYHDCSC-QAPCUYQASA-N 2 1 328.416 1.252 20 0 EDADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000902501064 592003115 /nfs/dbraw/zinc/00/31/15/592003115.db2.gz HRRRFWVWSPJZOH-IJXRJRJASA-N 2 1 343.471 1.599 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900429337 592015914 /nfs/dbraw/zinc/01/59/14/592015914.db2.gz PATWURJSPKMLLA-MJQMVNBJSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900429337 592015916 /nfs/dbraw/zinc/01/59/16/592015916.db2.gz PATWURJSPKMLLA-MJQMVNBJSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900429337 592015920 /nfs/dbraw/zinc/01/59/20/592015920.db2.gz PATWURJSPKMLLA-MJQMVNBJSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900463527 592025877 /nfs/dbraw/zinc/02/58/77/592025877.db2.gz FYWLOIDXKXNXPJ-CALCHBBNSA-N 2 1 334.508 1.099 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902788940 592064203 /nfs/dbraw/zinc/06/42/03/592064203.db2.gz BBNHKGBFCIJIND-QZTJIDSGSA-N 2 1 337.508 1.726 20 0 EDADMP CCO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000902796644 592064884 /nfs/dbraw/zinc/06/48/84/592064884.db2.gz PXUATRHRBHCRPS-IAGOWNOFSA-N 2 1 325.497 1.866 20 0 EDADMP CNc1nc(C)ccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900668370 592085988 /nfs/dbraw/zinc/08/59/88/592085988.db2.gz AJVDUOIHJSQFMT-MRXNPFEDSA-N 2 1 345.491 1.672 20 0 EDADMP CNc1nc(C)ccc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900668370 592085991 /nfs/dbraw/zinc/08/59/91/592085991.db2.gz AJVDUOIHJSQFMT-MRXNPFEDSA-N 2 1 345.491 1.672 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC000900734859 592112691 /nfs/dbraw/zinc/11/26/91/592112691.db2.gz HWUYYXOTKDXRGO-INIZCTEOSA-N 2 1 330.432 1.741 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC000900734859 592112693 /nfs/dbraw/zinc/11/26/93/592112693.db2.gz HWUYYXOTKDXRGO-INIZCTEOSA-N 2 1 330.432 1.741 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@H]3CCCS(=O)(=O)C3)C2)[C@@H]1C(C)C ZINC000903118675 592123587 /nfs/dbraw/zinc/12/35/87/592123587.db2.gz FRYYQYKGHNSSHR-BIVLZKPYSA-N 2 1 344.521 1.023 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)C2CCC([NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000900825426 592138190 /nfs/dbraw/zinc/13/81/90/592138190.db2.gz VAFUIAXTWQTYFF-AQEOSJORSA-N 2 1 337.508 1.819 20 0 EDADMP O[C@H]1C[C@](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)(c2ccccc2)C1 ZINC000903270634 592149139 /nfs/dbraw/zinc/14/91/39/592149139.db2.gz GGWHDBWWSVUAOZ-VAMGGRTRSA-N 2 1 330.472 1.922 20 0 EDADMP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000900957442 592184721 /nfs/dbraw/zinc/18/47/21/592184721.db2.gz CFUHNCITZSPNBS-PKOBYXMFSA-N 2 1 347.459 1.037 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000900957442 592184722 /nfs/dbraw/zinc/18/47/22/592184722.db2.gz CFUHNCITZSPNBS-PKOBYXMFSA-N 2 1 347.459 1.037 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cc1 ZINC000903492279 592184956 /nfs/dbraw/zinc/18/49/56/592184956.db2.gz AGJKURLNOWNARS-DAYGRLMNSA-N 2 1 332.400 1.186 20 0 EDADMP COC(=O)c1cc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)ccc1C ZINC000903494689 592186715 /nfs/dbraw/zinc/18/67/15/592186715.db2.gz KSXOHIGNAKJNPP-KHYOSLBOSA-N 2 1 346.427 1.494 20 0 EDADMP COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903496414 592187557 /nfs/dbraw/zinc/18/75/57/592187557.db2.gz MVBUUONFTFQJHZ-HZSPNIEDSA-N 2 1 335.448 1.948 20 0 EDADMP O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)NCc1ccccc1 ZINC000903513173 592191837 /nfs/dbraw/zinc/19/18/37/592191837.db2.gz VWXYWDYZBKNRAX-KDURUIRLSA-N 2 1 342.487 1.203 20 0 EDADMP Cn1ccc([C@@H]2CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000903563475 592211301 /nfs/dbraw/zinc/21/13/01/592211301.db2.gz DRNXXZAOCFOCHM-AOIWGVFYSA-N 2 1 328.460 1.530 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)cc2)C1 ZINC000906697683 592271163 /nfs/dbraw/zinc/27/11/63/592271163.db2.gz PLMYQZYCUUGWKY-AWEZNQCLSA-N 2 1 344.459 1.465 20 0 EDADMP C(C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCOCC1 ZINC000903733089 592280570 /nfs/dbraw/zinc/28/05/70/592280570.db2.gz JNOJIQVEGNHEJW-SFHVURJKSA-N 2 1 337.508 1.189 20 0 EDADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C[C@H]1COc2ccccc2O1 ZINC000903718678 592280589 /nfs/dbraw/zinc/28/05/89/592280589.db2.gz QOZRGYSEINEGOS-HOTGVXAUSA-N 2 1 332.444 1.917 20 0 EDADMP c1ccn2c(c1)nnc2[C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903732467 592287864 /nfs/dbraw/zinc/28/78/64/592287864.db2.gz DWFJNRUHSNTCPN-MDZRGWNJSA-N 2 1 341.459 1.677 20 0 EDADMP N[C@]1(c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)C[C@H]1c1ccccc1 ZINC000904640005 592302019 /nfs/dbraw/zinc/30/20/19/592302019.db2.gz XIWIBQPNIPQMJW-LDDOYCOJSA-N 2 1 326.400 1.947 20 0 EDADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCN(CCn2cccn2)CC1 ZINC000903740045 592302345 /nfs/dbraw/zinc/30/23/45/592302345.db2.gz BXIJAVGSDFMTKI-RBUKOAKNSA-N 2 1 347.507 1.048 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000901272562 592308634 /nfs/dbraw/zinc/30/86/34/592308634.db2.gz MIUMNSLLAOMKKC-XWSJACJDSA-N 2 1 348.535 1.488 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC[C@@H]1C(F)(F)F ZINC000903770856 592311340 /nfs/dbraw/zinc/31/13/40/592311340.db2.gz ZOLXECVOEAJZKL-MCIONIFRSA-N 3 1 335.414 1.604 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC[C@@H]1C(F)(F)F ZINC000903770856 592311345 /nfs/dbraw/zinc/31/13/45/592311345.db2.gz ZOLXECVOEAJZKL-MCIONIFRSA-N 3 1 335.414 1.604 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1nc(N2CC[NH2+]CC2)no1 ZINC000904740646 592319824 /nfs/dbraw/zinc/31/98/24/592319824.db2.gz LLWCBFFTKIPYCP-HOCLYGCPSA-N 2 1 327.432 1.715 20 0 EDADMP OC[C@H]1c2ccccc2OCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788314 592322825 /nfs/dbraw/zinc/32/28/25/592322825.db2.gz IIIBLQCVFCKNOA-RDJZCZTQSA-N 2 1 332.444 1.573 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)C1 ZINC000906806114 592354076 /nfs/dbraw/zinc/35/40/76/592354076.db2.gz IGSUCJZEZQTPAZ-CABCVRRESA-N 2 1 338.521 1.744 20 0 EDADMP O=C(CN1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)N1CCCC1 ZINC000903879411 592359782 /nfs/dbraw/zinc/35/97/82/592359782.db2.gz AJDSYGMOKNQIKU-AYHJJNSGSA-N 2 1 334.508 1.147 20 0 EDADMP c1cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000903917024 592388784 /nfs/dbraw/zinc/38/87/84/592388784.db2.gz JPVULWGTRRQQDF-KRWDZBQOSA-N 2 1 329.488 1.877 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccnn1-c1ccccc1)C2 ZINC000903977724 592399161 /nfs/dbraw/zinc/39/91/61/592399161.db2.gz XSUXFDYJOLRWJS-KHYOSLBOSA-N 2 1 340.427 1.585 20 0 EDADMP CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000903980549 592400225 /nfs/dbraw/zinc/40/02/25/592400225.db2.gz UPMBEDXVEIKBLC-HDICACEKSA-N 2 1 330.476 1.881 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H]1CCOc3ccccc31)C2 ZINC000903978765 592400396 /nfs/dbraw/zinc/40/03/96/592400396.db2.gz LQQAGTQBUQURNS-ZTENYAIWSA-N 2 1 330.428 1.765 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](Cc3nccs3)C2)C1 ZINC000903987614 592406028 /nfs/dbraw/zinc/40/60/28/592406028.db2.gz HWAKVKWKKJPALJ-HUUCEWRRSA-N 2 1 336.505 1.595 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)Nc2cccc(C[NH+]3CC[C@H](O)C3)c2)C1 ZINC000908319970 592432346 /nfs/dbraw/zinc/43/23/46/592432346.db2.gz ZIRQYBTXCGUGQT-PKOBYXMFSA-N 2 1 347.459 1.039 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C[C@@H]2C1 ZINC000908291603 592434547 /nfs/dbraw/zinc/43/45/47/592434547.db2.gz UDTUAXBXLWXKBV-UMQBVGHOSA-N 2 1 335.492 1.288 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C2)C1 ZINC000908364350 592466387 /nfs/dbraw/zinc/46/63/87/592466387.db2.gz YYBJHVYEOSOJCP-FAFZWHIHSA-N 2 1 335.492 1.432 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCC[NH+]2CCC[C@@H]2CO)C1 ZINC000907068212 592504095 /nfs/dbraw/zinc/50/40/95/592504095.db2.gz LQOAVQOKAXUNHN-IAGOWNOFSA-N 2 1 325.497 1.462 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000907068212 592504097 /nfs/dbraw/zinc/50/40/97/592504097.db2.gz LQOAVQOKAXUNHN-IAGOWNOFSA-N 2 1 325.497 1.462 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000907068212 592504098 /nfs/dbraw/zinc/50/40/98/592504098.db2.gz LQOAVQOKAXUNHN-IAGOWNOFSA-N 2 1 325.497 1.462 20 0 EDADMP C[N@@H+](C[C@@H](O)CNc1ccc(N2CC[NH+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000905437760 592534156 /nfs/dbraw/zinc/53/41/56/592534156.db2.gz HTQHCPGWIBRWJG-UXHICEINSA-N 2 1 344.503 1.838 20 0 EDADMP C[NH+](C[C@@H](O)CNc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000905437760 592534158 /nfs/dbraw/zinc/53/41/58/592534158.db2.gz HTQHCPGWIBRWJG-UXHICEINSA-N 2 1 344.503 1.838 20 0 EDADMP C[NH+](C[C@@H](O)CNc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000905437760 592534160 /nfs/dbraw/zinc/53/41/60/592534160.db2.gz HTQHCPGWIBRWJG-UXHICEINSA-N 2 1 344.503 1.838 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000907262255 592575486 /nfs/dbraw/zinc/57/54/86/592575486.db2.gz XNBGAIRPOAYFFN-HNNXBMFYSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000907262255 592575488 /nfs/dbraw/zinc/57/54/88/592575488.db2.gz XNBGAIRPOAYFFN-HNNXBMFYSA-N 2 1 339.480 1.110 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000907285673 592584523 /nfs/dbraw/zinc/58/45/23/592584523.db2.gz UELTWZPITCPKGK-KRWDZBQOSA-N 2 1 336.524 1.559 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000907285673 592584525 /nfs/dbraw/zinc/58/45/25/592584525.db2.gz UELTWZPITCPKGK-KRWDZBQOSA-N 2 1 336.524 1.559 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000907285673 592584527 /nfs/dbraw/zinc/58/45/27/592584527.db2.gz UELTWZPITCPKGK-KRWDZBQOSA-N 2 1 336.524 1.559 20 0 EDADMP C[NH+]1CCC(CNC(=S)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000905633008 592591673 /nfs/dbraw/zinc/59/16/73/592591673.db2.gz ITTZLOROENIIOZ-GJZGRUSLSA-N 2 1 342.578 1.372 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000905678648 592609505 /nfs/dbraw/zinc/60/95/05/592609505.db2.gz GPKNNXKETGLTMF-DLBZAZTESA-N 2 1 325.497 1.581 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000905678648 592609507 /nfs/dbraw/zinc/60/95/07/592609507.db2.gz GPKNNXKETGLTMF-DLBZAZTESA-N 2 1 325.497 1.581 20 0 EDADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H](O)CN1CCCC1 ZINC000908996886 592703373 /nfs/dbraw/zinc/70/33/73/592703373.db2.gz UATIQFFRUVERFH-QAPCUYQASA-N 2 1 329.448 1.717 20 0 EDADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H](O)CN1CCCC1 ZINC000908996886 592703375 /nfs/dbraw/zinc/70/33/75/592703375.db2.gz UATIQFFRUVERFH-QAPCUYQASA-N 2 1 329.448 1.717 20 0 EDADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000908996886 592703377 /nfs/dbraw/zinc/70/33/77/592703377.db2.gz UATIQFFRUVERFH-QAPCUYQASA-N 2 1 329.448 1.717 20 0 EDADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000908996886 592703379 /nfs/dbraw/zinc/70/33/79/592703379.db2.gz UATIQFFRUVERFH-QAPCUYQASA-N 2 1 329.448 1.717 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000907601987 592728488 /nfs/dbraw/zinc/72/84/88/592728488.db2.gz ALBDZCVRKRGDPF-HZPDHXFCSA-N 2 1 325.497 1.412 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000907601987 592728482 /nfs/dbraw/zinc/72/84/82/592728482.db2.gz ALBDZCVRKRGDPF-HZPDHXFCSA-N 2 1 325.497 1.412 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000907601987 592728485 /nfs/dbraw/zinc/72/84/85/592728485.db2.gz ALBDZCVRKRGDPF-HZPDHXFCSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000906645012 592865742 /nfs/dbraw/zinc/86/57/42/592865742.db2.gz IJJVGQHBXXRIIX-KGLIPLIRSA-N 2 1 332.448 1.320 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000906645427 592865918 /nfs/dbraw/zinc/86/59/18/592865918.db2.gz MAGCDTLQBWCOJK-CYBMUJFWSA-N 2 1 344.459 1.419 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000910874952 592899370 /nfs/dbraw/zinc/89/93/70/592899370.db2.gz GBDQNOCVMFFYDK-QGZVFWFLSA-N 2 1 339.524 1.801 20 0 EDADMP CC(C)[NH+](CCO)CC1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000910874952 592899371 /nfs/dbraw/zinc/89/93/71/592899371.db2.gz GBDQNOCVMFFYDK-QGZVFWFLSA-N 2 1 339.524 1.801 20 0 EDADMP CC(C)[NH+](CCO)CC1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000910874952 592899372 /nfs/dbraw/zinc/89/93/72/592899372.db2.gz GBDQNOCVMFFYDK-QGZVFWFLSA-N 2 1 339.524 1.801 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000911702152 592990685 /nfs/dbraw/zinc/99/06/85/592990685.db2.gz JNCPDMWPTSDUSK-ROUUACIJSA-N 2 1 332.492 1.943 20 0 EDADMP CC[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911841276 593021417 /nfs/dbraw/zinc/02/14/17/593021417.db2.gz OAPPQDHYLQSOAR-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP CC[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911841276 593021419 /nfs/dbraw/zinc/02/14/19/593021419.db2.gz OAPPQDHYLQSOAR-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H]2CCCC[N@@H+]2C)C[C@@H](C)O1 ZINC000911853277 593026977 /nfs/dbraw/zinc/02/69/77/593026977.db2.gz ZBYZJOYMVSBHNN-BZUAXINKSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H]2CCCC[N@H+]2C)C[C@@H](C)O1 ZINC000911853277 593026978 /nfs/dbraw/zinc/02/69/78/593026978.db2.gz ZBYZJOYMVSBHNN-BZUAXINKSA-N 2 1 340.512 1.658 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)C1 ZINC000912594926 593107049 /nfs/dbraw/zinc/10/70/49/593107049.db2.gz JLFCHLQANDBVSP-QGZVFWFLSA-N 2 1 339.524 1.708 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)[N@@H+]1C ZINC000838476026 593176984 /nfs/dbraw/zinc/17/69/84/593176984.db2.gz LJNCCQHOLAZFNE-UXLLHSPISA-N 2 1 338.496 1.364 20 0 EDADMP Cc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(Cl)n1 ZINC000838893581 593235015 /nfs/dbraw/zinc/23/50/15/593235015.db2.gz XVTBLMDIIAXESK-UHFFFAOYSA-N 2 1 338.883 1.933 20 0 EDADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000810208386 593388569 /nfs/dbraw/zinc/38/85/69/593388569.db2.gz UZENVUCLUFUJET-MRXNPFEDSA-N 2 1 339.505 1.889 20 0 EDADMP CN1CC[NH+](CC2(C)CC[NH+](CN3CCSC3=S)CC2)CC1 ZINC000758264446 593399382 /nfs/dbraw/zinc/39/93/82/593399382.db2.gz LPYXAJFBKXDYGZ-UHFFFAOYSA-N 2 1 342.578 1.627 20 0 EDADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1Cn1cccn1 ZINC000817982903 593653473 /nfs/dbraw/zinc/65/34/73/593653473.db2.gz WBXRQUHRWQYCMO-CRAIPNDOSA-N 2 1 344.459 1.969 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000818984925 593732526 /nfs/dbraw/zinc/73/25/26/593732526.db2.gz NABFVBQAEXKXQT-HOTGVXAUSA-N 2 1 343.512 1.972 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000819043743 593735358 /nfs/dbraw/zinc/73/53/58/593735358.db2.gz VFSYSAWXCWMHMU-QGZVFWFLSA-N 2 1 337.439 1.391 20 0 EDADMP C[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1=CC[N@@H+](C)CC1 ZINC000819219671 593744899 /nfs/dbraw/zinc/74/48/99/593744899.db2.gz FOMQTYPJPLSKLG-CXAGYDPISA-N 2 1 338.473 1.364 20 0 EDADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824584825 594043257 /nfs/dbraw/zinc/04/32/57/594043257.db2.gz IBNIXFUVLGGYTF-ZDUSSCGKSA-N 2 1 330.436 1.364 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc([C@H]4C[C@@]45CC[NH2+]C5)n3)cn2)CC1 ZINC000822915499 594121703 /nfs/dbraw/zinc/12/17/03/594121703.db2.gz OZWZDLFGJQLUKZ-RDTXWAMCSA-N 2 1 340.431 1.350 20 0 EDADMP C[C@@H]([NH3+])CCc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000822951503 594127777 /nfs/dbraw/zinc/12/77/77/594127777.db2.gz SXIQTGOUJKBKLB-CYBMUJFWSA-N 2 1 330.436 1.553 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000823044477 594143438 /nfs/dbraw/zinc/14/34/38/594143438.db2.gz GGEDFQDUXOXZEA-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000823044477 594143440 /nfs/dbraw/zinc/14/34/40/594143440.db2.gz GGEDFQDUXOXZEA-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C1 ZINC000823044477 594143442 /nfs/dbraw/zinc/14/34/42/594143442.db2.gz GGEDFQDUXOXZEA-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)C[C@@H]([NH3+])C2CC2)c2cccs2)CC1 ZINC000825795690 594248987 /nfs/dbraw/zinc/24/89/87/594248987.db2.gz OYLDNDSECJNZIE-HUUCEWRRSA-N 2 1 336.505 1.280 20 0 EDADMP C[N@H+]1CCC[C@@H](CNc2nc3c(cc2-c2nn[nH]n2)CCCC3)C1 ZINC000826029119 594309982 /nfs/dbraw/zinc/30/99/82/594309982.db2.gz OOLCKIKRKVEHCV-LBPRGKRZSA-N 2 1 327.436 1.894 20 0 EDADMP Cc1cccc(CN2CCO[C@@H](CNC(=O)[C@H]3CCCCN3C)C2)c1 ZINC000826557686 594525515 /nfs/dbraw/zinc/52/55/15/594525515.db2.gz OGPKGNBQJFYGBF-RBUKOAKNSA-N 2 1 345.487 1.796 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)n1 ZINC000826653944 594547373 /nfs/dbraw/zinc/54/73/73/594547373.db2.gz KITHVONNDCGPQY-QGZVFWFLSA-N 2 1 347.507 1.972 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@]3(F)CC[NH2+]C3)CC2)oc1C ZINC000829395690 594606624 /nfs/dbraw/zinc/60/66/24/594606624.db2.gz ZHAOAUGNKWGSEW-QGZVFWFLSA-N 2 1 338.427 1.321 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)C[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000827023523 594625673 /nfs/dbraw/zinc/62/56/73/594625673.db2.gz CRPDUJGBZXRHSQ-SFHVURJKSA-N 2 1 330.476 1.890 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000827080628 594636228 /nfs/dbraw/zinc/63/62/28/594636228.db2.gz HXUUZCUKAJNAKM-IBGZPJMESA-N 2 1 344.503 1.568 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000827498008 594677590 /nfs/dbraw/zinc/67/75/90/594677590.db2.gz AADRAXBQZKRSRE-QGZVFWFLSA-N 2 1 344.459 1.069 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831572339 594684199 /nfs/dbraw/zinc/68/41/99/594684199.db2.gz UTYVXWPCBPRQDZ-ZIAGYGMSSA-N 2 1 344.381 1.924 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831572339 594684200 /nfs/dbraw/zinc/68/42/00/594684200.db2.gz UTYVXWPCBPRQDZ-ZIAGYGMSSA-N 2 1 344.381 1.924 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000833574383 594877484 /nfs/dbraw/zinc/87/74/84/594877484.db2.gz CUCDQMKLQPNXAZ-WMLDXEAASA-N 2 1 329.460 1.162 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000833574383 594877486 /nfs/dbraw/zinc/87/74/86/594877486.db2.gz CUCDQMKLQPNXAZ-WMLDXEAASA-N 2 1 329.460 1.162 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000833574383 594877488 /nfs/dbraw/zinc/87/74/88/594877488.db2.gz CUCDQMKLQPNXAZ-WMLDXEAASA-N 2 1 329.460 1.162 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000841310354 594883453 /nfs/dbraw/zinc/88/34/53/594883453.db2.gz NXCXRERCIIZBIA-IRXDYDNUSA-N 2 1 332.448 1.781 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000843279737 595060660 /nfs/dbraw/zinc/06/06/60/595060660.db2.gz KOTBGVIYGAPZIF-OWCLPIDISA-N 2 1 342.553 1.386 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000843279737 595060663 /nfs/dbraw/zinc/06/06/63/595060663.db2.gz KOTBGVIYGAPZIF-OWCLPIDISA-N 2 1 342.553 1.386 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000843279737 595060667 /nfs/dbraw/zinc/06/06/67/595060667.db2.gz KOTBGVIYGAPZIF-OWCLPIDISA-N 2 1 342.553 1.386 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000843334097 595078063 /nfs/dbraw/zinc/07/80/63/595078063.db2.gz FSTKVUQYNKTAKO-RBSFLKMASA-N 2 1 345.443 1.874 20 0 EDADMP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364048 595088480 /nfs/dbraw/zinc/08/84/80/595088480.db2.gz MSCTWBVLERXPRF-GFCCVEGCSA-N 2 1 343.431 1.671 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000846144870 595156480 /nfs/dbraw/zinc/15/64/80/595156480.db2.gz KSJBEEWCTHHIKJ-DLBZAZTESA-N 2 1 332.448 1.068 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000837762548 595189324 /nfs/dbraw/zinc/18/93/24/595189324.db2.gz NAKHYVPNPPGTEF-MRXNPFEDSA-N 2 1 342.447 1.811 20 0 EDADMP CC[C@@H]1CN(C)CCN1C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000837762548 595189326 /nfs/dbraw/zinc/18/93/26/595189326.db2.gz NAKHYVPNPPGTEF-MRXNPFEDSA-N 2 1 342.447 1.811 20 0 EDADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(SC(F)F)cc1 ZINC000843044960 595271935 /nfs/dbraw/zinc/27/19/35/595271935.db2.gz NPKLUMWYTYDQEM-UHFFFAOYSA-N 2 1 329.416 1.865 20 0 EDADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(SC(F)F)cc1 ZINC000843044960 595271937 /nfs/dbraw/zinc/27/19/37/595271937.db2.gz NPKLUMWYTYDQEM-UHFFFAOYSA-N 2 1 329.416 1.865 20 0 EDADMP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843047611 595272590 /nfs/dbraw/zinc/27/25/90/595272590.db2.gz YSFYAHDQIQZTKP-CYBMUJFWSA-N 2 1 339.871 1.026 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)/C=C/CN1CCOCC1 ZINC000867431125 595278171 /nfs/dbraw/zinc/27/81/71/595278171.db2.gz ZZGHWZSLUQLESJ-HNTCUJBNSA-N 2 1 343.471 1.512 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccc(CC[NH3+])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000844165283 595288537 /nfs/dbraw/zinc/28/85/37/595288537.db2.gz YYKIBEHGPPJJIS-JTDSTZFVSA-N 2 1 347.503 1.938 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccc(CC[NH3+])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000844165283 595288540 /nfs/dbraw/zinc/28/85/40/595288540.db2.gz YYKIBEHGPPJJIS-JTDSTZFVSA-N 2 1 347.503 1.938 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844170941 595290465 /nfs/dbraw/zinc/29/04/65/595290465.db2.gz UYKQUDKIUZJRIF-IXDOHACOSA-N 2 1 325.497 1.629 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000844187667 595297014 /nfs/dbraw/zinc/29/70/14/595297014.db2.gz MUSSALSBTHRIBE-BBWFWOEESA-N 2 1 341.496 1.008 20 0 EDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846875527 595330433 /nfs/dbraw/zinc/33/04/33/595330433.db2.gz SKOBRPWPSPRUOV-CRAIPNDOSA-N 2 1 341.496 1.774 20 0 EDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846875528 595330541 /nfs/dbraw/zinc/33/05/41/595330541.db2.gz SKOBRPWPSPRUOV-MAUKXSAKSA-N 2 1 341.496 1.774 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[S@](C)=O)cc1 ZINC000849051101 595475214 /nfs/dbraw/zinc/47/52/14/595475214.db2.gz WRVWYTZBEAGIJP-HJPURHCSSA-N 2 1 336.505 1.663 20 0 EDADMP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000849055287 595476182 /nfs/dbraw/zinc/47/61/82/595476182.db2.gz YRCZGPCTENLFTI-ZIAGYGMSSA-N 2 1 339.509 1.185 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(F)cc1 ZINC000849067719 595477486 /nfs/dbraw/zinc/47/74/86/595477486.db2.gz YCYKVZBDJKACSG-OAHLLOKOSA-N 2 1 335.427 1.154 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NCCC[NH+](C)CC(C)C)C[C@@H]1C ZINC000845321314 595479365 /nfs/dbraw/zinc/47/93/65/595479365.db2.gz ZXHKWEIBYRZORP-CALCHBBNSA-N 2 1 342.528 1.715 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NCCC[N@H+](C)CC(C)C)C[C@@H]1C ZINC000845321314 595479366 /nfs/dbraw/zinc/47/93/66/595479366.db2.gz ZXHKWEIBYRZORP-CALCHBBNSA-N 2 1 342.528 1.715 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NCCC[N@@H+](C)CC(C)C)C[C@@H]1C ZINC000845321314 595479369 /nfs/dbraw/zinc/47/93/69/595479369.db2.gz ZXHKWEIBYRZORP-CALCHBBNSA-N 2 1 342.528 1.715 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])NC3CCC3)c2)C1 ZINC000849111817 595483976 /nfs/dbraw/zinc/48/39/76/595483976.db2.gz GWPSFMWASPFTCL-INIZCTEOSA-N 2 1 343.475 1.550 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NCC(C)(C)[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849487305 595548231 /nfs/dbraw/zinc/54/82/31/595548231.db2.gz OPPCHWBSHXFRAJ-IRXDYDNUSA-N 2 1 349.523 1.690 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000849515954 595556735 /nfs/dbraw/zinc/55/67/35/595556735.db2.gz IAURYHYNERPOTL-SQNIBIBYSA-N 2 1 345.491 1.152 20 0 EDADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849575096 595578040 /nfs/dbraw/zinc/57/80/40/595578040.db2.gz BWOYVMRVVRRUEU-QZTJIDSGSA-N 2 1 347.507 1.443 20 0 EDADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849575096 595578043 /nfs/dbraw/zinc/57/80/43/595578043.db2.gz BWOYVMRVVRRUEU-QZTJIDSGSA-N 2 1 347.507 1.443 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849579931 595580424 /nfs/dbraw/zinc/58/04/24/595580424.db2.gz SWOFHHSGTMPYBW-DLBZAZTESA-N 2 1 333.480 1.008 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849579931 595580427 /nfs/dbraw/zinc/58/04/27/595580427.db2.gz SWOFHHSGTMPYBW-DLBZAZTESA-N 2 1 333.480 1.008 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849579931 595580430 /nfs/dbraw/zinc/58/04/30/595580430.db2.gz SWOFHHSGTMPYBW-DLBZAZTESA-N 2 1 333.480 1.008 20 0 EDADMP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000852859983 595580983 /nfs/dbraw/zinc/58/09/83/595580983.db2.gz GTEUJOPQIXLOGA-HZPDHXFCSA-N 2 1 330.432 1.213 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849613612 595597303 /nfs/dbraw/zinc/59/73/03/595597303.db2.gz UKTGIIIDEXRWFE-FGTMMUONSA-N 2 1 347.507 1.444 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H]1c1ccc(Cl)cc1 ZINC000852886811 595598759 /nfs/dbraw/zinc/59/87/59/595598759.db2.gz XEPXYROOMNAHHQ-IPYPFGDCSA-N 2 1 336.823 1.305 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H]1c1ccc(Cl)cc1 ZINC000852886811 595598760 /nfs/dbraw/zinc/59/87/60/595598760.db2.gz XEPXYROOMNAHHQ-IPYPFGDCSA-N 2 1 336.823 1.305 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@H](C3CCCCC3)C1)C2=O ZINC000853554257 595798736 /nfs/dbraw/zinc/79/87/36/595798736.db2.gz KMWIXYVEVBTYIK-INIZCTEOSA-N 2 1 348.491 1.862 20 0 EDADMP CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000861354042 595958803 /nfs/dbraw/zinc/95/88/03/595958803.db2.gz SAKUDRHQAJVNOY-RRQGHBQHSA-N 2 1 330.444 1.851 20 0 EDADMP CO[C@@H]1C[NH+](C)[C@](C)(COC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000861354042 595958805 /nfs/dbraw/zinc/95/88/05/595958805.db2.gz SAKUDRHQAJVNOY-RRQGHBQHSA-N 2 1 330.444 1.851 20 0 EDADMP CO[C@@H]1C[NH+](C)[C@](C)(COC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000861354042 595958808 /nfs/dbraw/zinc/95/88/08/595958808.db2.gz SAKUDRHQAJVNOY-RRQGHBQHSA-N 2 1 330.444 1.851 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@](O)(C(N)=O)c2ccccc2)cc1 ZINC000859212405 596005839 /nfs/dbraw/zinc/00/58/39/596005839.db2.gz JCRUKXDKAHNFQV-FQEVSTJZSA-N 2 1 341.455 1.553 20 0 EDADMP O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000854224456 596007659 /nfs/dbraw/zinc/00/76/59/596007659.db2.gz XNTWIOCHRDGMET-RWMBFGLXSA-N 2 1 342.427 1.864 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H]3CCCNC3=O)C2)ccn1 ZINC000856586441 596025143 /nfs/dbraw/zinc/02/51/43/596025143.db2.gz QSSYEAXJLASHAC-SJORKVTESA-N 2 1 332.448 1.265 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)ccn1 ZINC000856586441 596025147 /nfs/dbraw/zinc/02/51/47/596025147.db2.gz QSSYEAXJLASHAC-SJORKVTESA-N 2 1 332.448 1.265 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)ccn1 ZINC000856586441 596025150 /nfs/dbraw/zinc/02/51/50/596025150.db2.gz QSSYEAXJLASHAC-SJORKVTESA-N 2 1 332.448 1.265 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000852567184 596199149 /nfs/dbraw/zinc/19/91/49/596199149.db2.gz QQCWQUSLEJAPDF-AEFFLSMTSA-N 2 1 330.476 1.547 20 0 EDADMP CC[C@@H](CO)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000857331108 596213726 /nfs/dbraw/zinc/21/37/26/596213726.db2.gz YGZBCQZWORWULQ-KRWDZBQOSA-N 2 1 349.475 1.090 20 0 EDADMP COC(=O)/C=C/c1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000866665857 596285606 /nfs/dbraw/zinc/28/56/06/596285606.db2.gz JCCMDVYUCXQFEW-NQMAARMTSA-N 2 1 330.428 1.935 20 0 EDADMP COC(=O)/C=C/c1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000866665857 596285608 /nfs/dbraw/zinc/28/56/08/596285608.db2.gz JCCMDVYUCXQFEW-NQMAARMTSA-N 2 1 330.428 1.935 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862326209 596301912 /nfs/dbraw/zinc/30/19/12/596301912.db2.gz JZLCCVZJMTWUGA-CXAGYDPISA-N 2 1 343.468 1.015 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862326209 596301914 /nfs/dbraw/zinc/30/19/14/596301914.db2.gz JZLCCVZJMTWUGA-CXAGYDPISA-N 2 1 343.468 1.015 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000866714190 596306345 /nfs/dbraw/zinc/30/63/45/596306345.db2.gz IEJZMAKZKWETCI-SVGFKBNWSA-N 2 1 331.391 1.680 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000870866122 596382799 /nfs/dbraw/zinc/38/27/99/596382799.db2.gz ODPXUVIQBJYZIW-HBFSDRIKSA-N 2 1 342.487 1.178 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870874195 596385730 /nfs/dbraw/zinc/38/57/30/596385730.db2.gz ZAAVAVODZYMNPK-OLZOCXBDSA-N 2 1 326.238 1.659 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870874195 596385733 /nfs/dbraw/zinc/38/57/33/596385733.db2.gz ZAAVAVODZYMNPK-OLZOCXBDSA-N 2 1 326.238 1.659 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870879441 596387465 /nfs/dbraw/zinc/38/74/65/596387465.db2.gz GMYXPHLZRHSZHT-CYBMUJFWSA-N 2 1 344.253 1.143 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000870888272 596391241 /nfs/dbraw/zinc/39/12/41/596391241.db2.gz LISCCSXTUIVHCP-YLFCFFPRSA-N 2 1 325.497 1.757 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000870986702 596430683 /nfs/dbraw/zinc/43/06/83/596430683.db2.gz SXKYRZRHODUDHA-DLTWYDFYSA-N 2 1 325.497 1.625 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000870986702 596430687 /nfs/dbraw/zinc/43/06/87/596430687.db2.gz SXKYRZRHODUDHA-DLTWYDFYSA-N 2 1 325.497 1.625 20 0 EDADMP O=C([C@@H]1CCCN(CC(F)F)C1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000867857937 596588349 /nfs/dbraw/zinc/58/83/49/596588349.db2.gz PPUGBQGSPJFNSR-MCIONIFRSA-N 2 1 333.398 1.608 20 0 EDADMP [NH3+]CCCOCC[NH2+]Cc1nc2ccccn2c1Br ZINC000863649149 596644778 /nfs/dbraw/zinc/64/47/78/596644778.db2.gz ACQGTFVHGFBQNF-UHFFFAOYSA-N 2 1 327.226 1.552 20 0 EDADMP C[C@@H]1C[C@@H](C)CN(C(=O)CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000871785551 596700359 /nfs/dbraw/zinc/70/03/59/596700359.db2.gz RWHWSLXTDPCGKM-YZDRTPDPSA-N 2 1 336.480 1.862 20 0 EDADMP C[C@@H]1C[C@@H](C)CN(C(=O)CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000871785551 596700362 /nfs/dbraw/zinc/70/03/62/596700362.db2.gz RWHWSLXTDPCGKM-YZDRTPDPSA-N 2 1 336.480 1.862 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC000863857752 596706394 /nfs/dbraw/zinc/70/63/94/596706394.db2.gz BUEFUJLDSRBWRK-UHFFFAOYSA-N 2 1 332.448 1.401 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868180072 596713291 /nfs/dbraw/zinc/71/32/91/596713291.db2.gz HRHLIQLZYLTTET-XOKHGSTOSA-N 2 1 346.475 1.810 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868243700 596743020 /nfs/dbraw/zinc/74/30/20/596743020.db2.gz LNDFDZLAFFOSTC-RRQGHBQHSA-N 2 1 344.459 1.288 20 0 EDADMP O=C1O[C@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000871982193 596776186 /nfs/dbraw/zinc/77/61/86/596776186.db2.gz FUHBGEHOWMIZGQ-IEBWSBKVSA-N 2 1 345.443 1.196 20 0 EDADMP O=C1O[C@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000871982193 596776187 /nfs/dbraw/zinc/77/61/87/596776187.db2.gz FUHBGEHOWMIZGQ-IEBWSBKVSA-N 2 1 345.443 1.196 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CCSC1 ZINC000868356333 596798810 /nfs/dbraw/zinc/79/88/10/596798810.db2.gz VBEUQKVMGWTQAO-WMZOPIPTSA-N 2 1 348.516 1.910 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CCSC1 ZINC000868356333 596798815 /nfs/dbraw/zinc/79/88/15/596798815.db2.gz VBEUQKVMGWTQAO-WMZOPIPTSA-N 2 1 348.516 1.910 20 0 EDADMP COC(=O)CC[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000872153669 596814830 /nfs/dbraw/zinc/81/48/30/596814830.db2.gz GLFCSSIIUJTMSU-SQNIBIBYSA-N 2 1 334.460 1.583 20 0 EDADMP C[N@@H+](CCCCCC[NH3+])CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000872154842 596815739 /nfs/dbraw/zinc/81/57/39/596815739.db2.gz BYSRYXSMXCLJKN-OAHLLOKOSA-N 2 1 335.448 1.394 20 0 EDADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1)C1CCCC1 ZINC000872156206 596816061 /nfs/dbraw/zinc/81/60/61/596816061.db2.gz GEEDSEULDUTTHV-CGTJXYLNSA-N 2 1 337.508 1.901 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000872255077 596855918 /nfs/dbraw/zinc/85/59/18/596855918.db2.gz JIKWXSQDILUSTN-AEGPPILISA-N 2 1 348.472 1.778 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000872255077 596855919 /nfs/dbraw/zinc/85/59/19/596855919.db2.gz JIKWXSQDILUSTN-AEGPPILISA-N 2 1 348.472 1.778 20 0 EDADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257376 596857690 /nfs/dbraw/zinc/85/76/90/596857690.db2.gz QMCRQASOKSZQMR-DDBAPUKQSA-N 2 1 329.444 1.732 20 0 EDADMP CCNc1nc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)nc(NC(C)(C)C)[nH+]1 ZINC000872779369 597065213 /nfs/dbraw/zinc/06/52/13/597065213.db2.gz GFMAXQIDBPPSIS-STQMWFEESA-N 2 1 333.484 1.609 20 0 EDADMP CCNc1nc(N2CC[C@H]3[C@@H]2CCC[N@H+]3C)nc(NC(C)(C)C)[nH+]1 ZINC000872779369 597065216 /nfs/dbraw/zinc/06/52/16/597065216.db2.gz GFMAXQIDBPPSIS-STQMWFEESA-N 2 1 333.484 1.609 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000874431157 597075040 /nfs/dbraw/zinc/07/50/40/597075040.db2.gz RLXZOLDGRPSCGD-KRWDZBQOSA-N 2 1 326.485 1.115 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000876112085 597094935 /nfs/dbraw/zinc/09/49/35/597094935.db2.gz MMNHTOBQEWSDNG-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP Cc1[nH+]ccn1CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000876520705 597228585 /nfs/dbraw/zinc/22/85/85/597228585.db2.gz ODOMXGSYPWQWQJ-INIZCTEOSA-N 2 1 342.399 1.739 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000874998709 597237639 /nfs/dbraw/zinc/23/76/39/597237639.db2.gz JELNOQQIKRUAKM-HNNXBMFYSA-N 2 1 326.485 1.004 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[NH+]1CCCC[C@@H]1C ZINC000875071809 597269915 /nfs/dbraw/zinc/26/99/15/597269915.db2.gz NHAANGNOWSMGLK-XHSDSOJGSA-N 2 1 340.512 1.394 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)[N@@H+]1CCCC[C@@H]1C ZINC000875071809 597269916 /nfs/dbraw/zinc/26/99/16/597269916.db2.gz NHAANGNOWSMGLK-XHSDSOJGSA-N 2 1 340.512 1.394 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)[N@H+]1CCCC[C@@H]1C ZINC000875071809 597269917 /nfs/dbraw/zinc/26/99/17/597269917.db2.gz NHAANGNOWSMGLK-XHSDSOJGSA-N 2 1 340.512 1.394 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1 ZINC000875091737 597278122 /nfs/dbraw/zinc/27/81/22/597278122.db2.gz MFHLSVRWDSULLL-KRWDZBQOSA-N 2 1 348.491 1.393 20 0 EDADMP O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000876726481 597307458 /nfs/dbraw/zinc/30/74/58/597307458.db2.gz IDZMEWOJDAGRIN-HIFRSBDPSA-N 2 1 325.453 1.382 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)NCCn2cc[nH+]c2C(C)C)c1 ZINC000876731372 597311146 /nfs/dbraw/zinc/31/11/46/597311146.db2.gz PYUWRFVTAIWLGO-MRXNPFEDSA-N 2 1 330.432 1.701 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c(C[NH3+])cnn2C)C1 ZINC000876736356 597313903 /nfs/dbraw/zinc/31/39/03/597313903.db2.gz JXZQUKMGHGGLHJ-BBRMVZONSA-N 2 1 327.432 1.444 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)cnn1[C@H]1CCC[NH2+]C1 ZINC000876751876 597321810 /nfs/dbraw/zinc/32/18/10/597321810.db2.gz ZXGLZXWQSRIAMC-CVEARBPZSA-N 2 1 333.480 1.720 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000876765005 597329526 /nfs/dbraw/zinc/32/95/26/597329526.db2.gz QCRZXCJADMKXPV-YHUYYLMFSA-N 2 1 329.460 1.187 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000876771510 597333378 /nfs/dbraw/zinc/33/33/78/597333378.db2.gz TWAYLUQIEKHYFF-NPYXIHBLSA-N 2 1 345.491 1.861 20 0 EDADMP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876771970 597333391 /nfs/dbraw/zinc/33/33/91/597333391.db2.gz DQRGJSXUSVEFPD-SUMDDJOVSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876771970 597333395 /nfs/dbraw/zinc/33/33/95/597333395.db2.gz DQRGJSXUSVEFPD-SUMDDJOVSA-N 2 1 331.460 1.534 20 0 EDADMP C[NH+](C)Cc1ccc(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)cc1F ZINC000876776682 597336687 /nfs/dbraw/zinc/33/66/87/597336687.db2.gz JPIJDYSNTDAOLD-QHCPKHFHSA-N 2 1 341.452 1.327 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000876782525 597338751 /nfs/dbraw/zinc/33/87/51/597338751.db2.gz WTVIYHBWWJOLJJ-AEFFLSMTSA-N 2 1 348.466 1.710 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000876782532 597338914 /nfs/dbraw/zinc/33/89/14/597338914.db2.gz WTVIYHBWWJOLJJ-WMZOPIPTSA-N 2 1 348.466 1.710 20 0 EDADMP C[C@H](CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000876782656 597339085 /nfs/dbraw/zinc/33/90/85/597339085.db2.gz YDGQOZBCZVDBCV-NUJGCVRESA-N 2 1 348.466 1.261 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000876873354 597365052 /nfs/dbraw/zinc/36/50/52/597365052.db2.gz DKXKBRBWICIBJG-AEFFLSMTSA-N 2 1 349.450 1.677 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000876873354 597365055 /nfs/dbraw/zinc/36/50/55/597365055.db2.gz DKXKBRBWICIBJG-AEFFLSMTSA-N 2 1 349.450 1.677 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876916410 597383913 /nfs/dbraw/zinc/38/39/13/597383913.db2.gz BDXKFFFYVOTSEK-ZWKOTPCHSA-N 2 1 343.471 1.393 20 0 EDADMP CC(C)(CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000877021531 597413877 /nfs/dbraw/zinc/41/38/77/597413877.db2.gz DDJMLFFIYJVXCO-LSDHHAIUSA-N 2 1 341.496 1.990 20 0 EDADMP CC(C)(CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000877021531 597413881 /nfs/dbraw/zinc/41/38/81/597413881.db2.gz DDJMLFFIYJVXCO-LSDHHAIUSA-N 2 1 341.496 1.990 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH3+])C1 ZINC000877236494 597473551 /nfs/dbraw/zinc/47/35/51/597473551.db2.gz BGUMRNBDEFWTIY-RCCFBDPRSA-N 2 1 331.460 1.823 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877353459 597499051 /nfs/dbraw/zinc/49/90/51/597499051.db2.gz QYZAXQSHYCZQLK-CMKODMSKSA-N 2 1 344.503 1.246 20 0 EDADMP COCC[N@H+](Cc1cc(C)c(C(=O)OC)[nH]1)CC1CC[NH+](C)CC1 ZINC000877663939 597546123 /nfs/dbraw/zinc/54/61/23/597546123.db2.gz DUSIHYMREJKOOR-UHFFFAOYSA-N 2 1 337.464 1.900 20 0 EDADMP C[NH+]1CCN(C2CC[NH+](Cc3ccc(-n4ccnc4)nc3)CC2)CC1 ZINC000877747598 597552939 /nfs/dbraw/zinc/55/29/39/597552939.db2.gz SWJPJBIMZUDUJU-UHFFFAOYSA-N 2 1 340.475 1.479 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000878009952 597569373 /nfs/dbraw/zinc/56/93/73/597569373.db2.gz AQQSIRWBZNBYQX-QGZVFWFLSA-N 2 1 345.491 1.963 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000878136727 597581005 /nfs/dbraw/zinc/58/10/05/597581005.db2.gz GBSOHXCEENPJEG-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP CC[C@](C)(O)C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878484632 597610843 /nfs/dbraw/zinc/61/08/43/597610843.db2.gz UEVXVNOQUCJAPR-FQEVSTJZSA-N 2 1 347.503 1.860 20 0 EDADMP CC[N@H+](C)C[C@H](O)Cn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881419101 597610860 /nfs/dbraw/zinc/61/08/60/597610860.db2.gz LPVPTABHFBVLCG-PKOBYXMFSA-N 2 1 343.475 1.758 20 0 EDADMP CC[N@@H+](C)C[C@H](O)Cn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881419101 597610863 /nfs/dbraw/zinc/61/08/63/597610863.db2.gz LPVPTABHFBVLCG-PKOBYXMFSA-N 2 1 343.475 1.758 20 0 EDADMP COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878497211 597614534 /nfs/dbraw/zinc/61/45/34/597614534.db2.gz UIGWKSDQTAJGLG-SFHVURJKSA-N 2 1 333.476 1.386 20 0 EDADMP COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878497211 597614536 /nfs/dbraw/zinc/61/45/36/597614536.db2.gz UIGWKSDQTAJGLG-SFHVURJKSA-N 2 1 333.476 1.386 20 0 EDADMP COc1ccc([C@H]2CN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC[NH2+]2)cc1 ZINC000879524637 597616876 /nfs/dbraw/zinc/61/68/76/597616876.db2.gz ZWWAFKKWFMSHKY-CEXWTWQISA-N 2 1 331.460 1.505 20 0 EDADMP COc1ccc([C@H]2CN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC[NH2+]2)cc1 ZINC000879524637 597616879 /nfs/dbraw/zinc/61/68/79/597616879.db2.gz ZWWAFKKWFMSHKY-CEXWTWQISA-N 2 1 331.460 1.505 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CC=CC[C@@H]3C2)C1 ZINC000879527852 597619019 /nfs/dbraw/zinc/61/90/19/597619019.db2.gz BTJARHLAQUJERF-FGTMMUONSA-N 2 1 335.492 1.357 20 0 EDADMP C[N@@H+](CCCOCc1ccccc1)CC(=O)NC1CC[NH+](C)CC1 ZINC000878551800 597631792 /nfs/dbraw/zinc/63/17/92/597631792.db2.gz ILCVIKKXQWDENO-UHFFFAOYSA-N 2 1 333.476 1.736 20 0 EDADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000879572057 597636481 /nfs/dbraw/zinc/63/64/81/597636481.db2.gz NURICFNEYKFXNX-IRXDYDNUSA-N 2 1 344.459 1.429 20 0 EDADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000879572057 597636483 /nfs/dbraw/zinc/63/64/83/597636483.db2.gz NURICFNEYKFXNX-IRXDYDNUSA-N 2 1 344.459 1.429 20 0 EDADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000879572057 597636486 /nfs/dbraw/zinc/63/64/86/597636486.db2.gz NURICFNEYKFXNX-IRXDYDNUSA-N 2 1 344.459 1.429 20 0 EDADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000879572057 597636489 /nfs/dbraw/zinc/63/64/89/597636489.db2.gz NURICFNEYKFXNX-IRXDYDNUSA-N 2 1 344.459 1.429 20 0 EDADMP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000883091649 597645521 /nfs/dbraw/zinc/64/55/21/597645521.db2.gz SZNOIHQUSOOGEQ-RBSFLKMASA-N 2 1 326.485 1.268 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000883091649 597645522 /nfs/dbraw/zinc/64/55/22/597645522.db2.gz SZNOIHQUSOOGEQ-RBSFLKMASA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883133847 597662545 /nfs/dbraw/zinc/66/25/45/597662545.db2.gz JMNAFUGBWHEPAB-JFIYKMOQSA-N 2 1 343.475 1.929 20 0 EDADMP CC1(C)C[C@@H](O)C[N@H+](CC2(C[NH+]3C[C@@H](O)CC(C)(C)C3)COC2)C1 ZINC000879623404 597662974 /nfs/dbraw/zinc/66/29/74/597662974.db2.gz UIXUBBUEXVXIRI-IYBDPMFKSA-N 2 1 340.508 1.189 20 0 EDADMP CC1(C)C[C@@H](O)C[N@@H+](CC2(C[NH+]3C[C@@H](O)CC(C)(C)C3)COC2)C1 ZINC000879623404 597662976 /nfs/dbraw/zinc/66/29/76/597662976.db2.gz UIXUBBUEXVXIRI-IYBDPMFKSA-N 2 1 340.508 1.189 20 0 EDADMP CC1(C)C[C@@H](O)C[NH+](CC2(C[N@@H+]3C[C@@H](O)CC(C)(C)C3)COC2)C1 ZINC000879623404 597662978 /nfs/dbraw/zinc/66/29/78/597662978.db2.gz UIXUBBUEXVXIRI-IYBDPMFKSA-N 2 1 340.508 1.189 20 0 EDADMP CC1(C)C[C@@H](O)C[NH+](CC2(C[N@H+]3C[C@@H](O)CC(C)(C)C3)COC2)C1 ZINC000879623404 597662980 /nfs/dbraw/zinc/66/29/80/597662980.db2.gz UIXUBBUEXVXIRI-IYBDPMFKSA-N 2 1 340.508 1.189 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)[C@@H](C)C1 ZINC000883300246 597705929 /nfs/dbraw/zinc/70/59/29/597705929.db2.gz RPJSUASKZVOWOB-KBPBESRZSA-N 2 1 331.526 1.557 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(F)(F)C(F)(F)F ZINC000883361479 597724950 /nfs/dbraw/zinc/72/49/50/597724950.db2.gz DVWJLNPZKIVAKI-GHMZBOCLSA-N 2 1 332.313 1.388 20 0 EDADMP O=C([C@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1)N1CC[NH2+]CC1 ZINC000883416098 597739188 /nfs/dbraw/zinc/73/91/88/597739188.db2.gz LZLIJJWTZIZHSD-GJZGRUSLSA-N 2 1 329.435 1.956 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883436300 597745790 /nfs/dbraw/zinc/74/57/90/597745790.db2.gz PFZVLQMXPXTPQS-DOTOQJQBSA-N 2 1 343.475 1.786 20 0 EDADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000883442557 597748502 /nfs/dbraw/zinc/74/85/02/597748502.db2.gz NPKAUUJMVJDTSR-RRQGHBQHSA-N 2 1 346.475 1.566 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883586277 597814217 /nfs/dbraw/zinc/81/42/17/597814217.db2.gz IGDUORZBMKVWCD-PBHICJAKSA-N 2 1 331.464 1.830 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000883728121 597877873 /nfs/dbraw/zinc/87/78/73/597877873.db2.gz JGIUVBFVCHJHEL-JKSUJKDBSA-N 2 1 331.464 1.786 20 0 EDADMP CCC1([NH+]2CCCCC2)CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000880257222 597885082 /nfs/dbraw/zinc/88/50/82/597885082.db2.gz TXVSMYLCECDDQK-UHFFFAOYSA-N 2 1 336.480 1.659 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000884188666 598019778 /nfs/dbraw/zinc/01/97/78/598019778.db2.gz NEJOOJIKBVRVDJ-RHSMWYFYSA-N 2 1 328.460 1.886 20 0 EDADMP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000884192248 598021257 /nfs/dbraw/zinc/02/12/57/598021257.db2.gz AGDSVVQOECKZTJ-DYVFJYSZSA-N 2 1 327.428 1.903 20 0 EDADMP C[NH2+][C@@H](CC(C)C)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000884206540 598028833 /nfs/dbraw/zinc/02/88/33/598028833.db2.gz XUHJFDRIAWAZAK-KSZLIROESA-N 2 1 338.540 1.638 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]([NH3+])CC3CC3)CC2)oc1C ZINC000884219000 598032814 /nfs/dbraw/zinc/03/28/14/598032814.db2.gz FFQUDPQZISWNCA-INIZCTEOSA-N 2 1 334.464 1.747 20 0 EDADMP CC[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2CC)ncc1OC ZINC000882960926 598117524 /nfs/dbraw/zinc/11/75/24/598117524.db2.gz ZJFGRTZWQORAAR-KBPBESRZSA-N 2 1 334.468 1.497 20 0 EDADMP CC[NH+]1CC[C@H]1CNc1ncc(OC)c(NC[C@@H]2CC[N@@H+]2CC)n1 ZINC000882960926 598117527 /nfs/dbraw/zinc/11/75/27/598117527.db2.gz ZJFGRTZWQORAAR-KBPBESRZSA-N 2 1 334.468 1.497 20 0 EDADMP CC[NH+]1CC[C@H]1CNc1ncc(OC)c(NC[C@@H]2CC[N@H+]2CC)n1 ZINC000882960926 598117530 /nfs/dbraw/zinc/11/75/30/598117530.db2.gz ZJFGRTZWQORAAR-KBPBESRZSA-N 2 1 334.468 1.497 20 0 EDADMP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000738421231 599485814 /nfs/dbraw/zinc/48/58/14/599485814.db2.gz QENUYTUOIYGCTC-KGLIPLIRSA-N 2 1 338.419 1.231 20 0 EDADMP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000738421231 599485816 /nfs/dbraw/zinc/48/58/16/599485816.db2.gz QENUYTUOIYGCTC-KGLIPLIRSA-N 2 1 338.419 1.231 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@H]2C1 ZINC000992764501 695300078 /nfs/dbraw/zinc/30/00/78/695300078.db2.gz BRYSGQCRRITQPK-HRCADAONSA-N 2 1 348.466 1.948 20 0 EDADMP CCc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)nc(C)[nH+]1 ZINC001060476508 695406931 /nfs/dbraw/zinc/40/69/31/695406931.db2.gz VTHQXNVMYRDVDM-MNFIZOLPSA-N 2 1 343.475 1.096 20 0 EDADMP CCc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)nc(C)[nH+]1 ZINC001060476508 695406932 /nfs/dbraw/zinc/40/69/32/695406932.db2.gz VTHQXNVMYRDVDM-MNFIZOLPSA-N 2 1 343.475 1.096 20 0 EDADMP C[C@@H]1CCN(C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000925412763 695560693 /nfs/dbraw/zinc/56/06/93/695560693.db2.gz XRXRJVKWBQLHNP-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000925412763 695560695 /nfs/dbraw/zinc/56/06/95/695560695.db2.gz XRXRJVKWBQLHNP-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)C2 ZINC000915154012 695752802 /nfs/dbraw/zinc/75/28/02/695752802.db2.gz RJNFBRNIZAQYMB-HBPKQKSZSA-N 2 1 340.512 1.106 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993575611 696229629 /nfs/dbraw/zinc/22/96/29/696229629.db2.gz OGLZTQAOGPFXAV-ZBFHGGJFSA-N 2 1 343.431 1.496 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCC[N@H+]1CC1CC1 ZINC000993987259 696483025 /nfs/dbraw/zinc/48/30/25/696483025.db2.gz MFCZJXNZKWMNQS-RHSMWYFYSA-N 2 1 333.480 1.437 20 0 EDADMP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1ccns1 ZINC000994250892 696644043 /nfs/dbraw/zinc/64/40/43/696644043.db2.gz JQDQWMRZMKVQII-DZGCQCFKSA-N 2 1 334.489 1.708 20 0 EDADMP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1Cc1ccns1 ZINC000994250892 696644044 /nfs/dbraw/zinc/64/40/44/696644044.db2.gz JQDQWMRZMKVQII-DZGCQCFKSA-N 2 1 334.489 1.708 20 0 EDADMP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1cncs1 ZINC000994251751 696645139 /nfs/dbraw/zinc/64/51/39/696645139.db2.gz LBYMVYBQIRUIRR-DZGCQCFKSA-N 2 1 334.489 1.708 20 0 EDADMP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1Cc1cncs1 ZINC000994251751 696645141 /nfs/dbraw/zinc/64/51/41/696645141.db2.gz LBYMVYBQIRUIRR-DZGCQCFKSA-N 2 1 334.489 1.708 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)ncn1 ZINC000994257059 696664544 /nfs/dbraw/zinc/66/45/44/696664544.db2.gz SFQWRAWDOGXKNM-WBVHZDCISA-N 2 1 343.475 1.350 20 0 EDADMP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)ncn1 ZINC000994257059 696664546 /nfs/dbraw/zinc/66/45/46/696664546.db2.gz SFQWRAWDOGXKNM-WBVHZDCISA-N 2 1 343.475 1.350 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCc2cnn(C)c2)[C@@H]1C ZINC000994427829 696855148 /nfs/dbraw/zinc/85/51/48/696855148.db2.gz VPLHKMIOSDNPRK-PBHICJAKSA-N 2 1 344.463 1.137 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCc2cnn(C)c2)[C@@H]1C ZINC000994427829 696855151 /nfs/dbraw/zinc/85/51/51/696855151.db2.gz VPLHKMIOSDNPRK-PBHICJAKSA-N 2 1 344.463 1.137 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000917582931 697039433 /nfs/dbraw/zinc/03/94/33/697039433.db2.gz UMJFCPIBPLDZII-UHFFFAOYSA-N 2 1 340.537 1.047 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC001031585171 697280743 /nfs/dbraw/zinc/28/07/43/697280743.db2.gz RDGSAETWICNQDE-LSDHHAIUSA-N 2 1 329.435 1.954 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000920505542 697440497 /nfs/dbraw/zinc/44/04/97/697440497.db2.gz AUWOXDPJKSXOBR-QGZVFWFLSA-N 2 1 338.496 1.413 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001031666389 697444016 /nfs/dbraw/zinc/44/40/16/697444016.db2.gz OLWSAIRMHCONPI-LJQANCHMSA-N 2 1 345.487 1.986 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnoc2C)C1 ZINC000995033450 700155538 /nfs/dbraw/zinc/15/55/38/700155538.db2.gz AXOJJZSOXXUVKV-HOCLYGCPSA-N 2 1 331.420 1.563 20 0 EDADMP Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)c1 ZINC001031688861 697527625 /nfs/dbraw/zinc/52/76/25/697527625.db2.gz MUDSRSFJVITTLL-OALUTQOASA-N 2 1 343.471 1.406 20 0 EDADMP C[NH+](C)CCNC(=S)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000921274111 697541915 /nfs/dbraw/zinc/54/19/15/697541915.db2.gz ORZKHOHFIUPUNS-KRWDZBQOSA-N 2 1 334.533 1.924 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC000995034425 700163635 /nfs/dbraw/zinc/16/36/35/700163635.db2.gz DYPPOBLYHACKJF-JKSUJKDBSA-N 2 1 342.447 1.365 20 0 EDADMP O=C(NCC1C[NH+](CC2CCC2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032079333 698265358 /nfs/dbraw/zinc/26/53/58/698265358.db2.gz VOOPRJNFARFVGQ-UHFFFAOYSA-N 2 1 325.416 1.729 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943513855 698427005 /nfs/dbraw/zinc/42/70/05/698427005.db2.gz ARRZVPYOAUTOGL-WBVHZDCISA-N 2 1 335.496 1.541 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC001031764553 699053197 /nfs/dbraw/zinc/05/31/97/699053197.db2.gz IFLVRFYFTFHHSC-UHFFFAOYSA-N 2 1 346.475 1.715 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)cs1 ZINC000939063083 699105777 /nfs/dbraw/zinc/10/57/77/699105777.db2.gz ACFFBSKZJVGNOP-MLGOLLRUSA-N 2 1 336.505 1.730 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000939137053 699223930 /nfs/dbraw/zinc/22/39/30/699223930.db2.gz DPNRXKIYBYFLSL-WBVHZDCISA-N 2 1 347.507 1.131 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939132128 699230843 /nfs/dbraw/zinc/23/08/43/699230843.db2.gz FNXKCOPGQGQFBA-WMLDXEAASA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567349 701579746 /nfs/dbraw/zinc/57/97/46/701579746.db2.gz ROTDBNHNNYUEOD-KRWDZBQOSA-N 2 1 336.524 1.203 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2cncn2C)C1 ZINC001031802470 699364510 /nfs/dbraw/zinc/36/45/10/699364510.db2.gz RRZBTKDIPSLURD-QGZVFWFLSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939257015 699434450 /nfs/dbraw/zinc/43/44/50/699434450.db2.gz IDCRLSJJHJBALB-SUMWQHHRSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000939314223 699487969 /nfs/dbraw/zinc/48/79/69/699487969.db2.gz KMCITMQBEXJPDW-MAUKXSAKSA-N 2 1 349.450 1.485 20 0 EDADMP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)c1 ZINC000939319468 699497725 /nfs/dbraw/zinc/49/77/25/699497725.db2.gz ITTBVGBPTGVCCS-SJLPKXTDSA-N 2 1 346.475 1.049 20 0 EDADMP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941639733 701603183 /nfs/dbraw/zinc/60/31/83/701603183.db2.gz XNLKTUFHPCMHEE-SJORKVTESA-N 2 1 336.524 1.203 20 0 EDADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000939544801 699686843 /nfs/dbraw/zinc/68/68/43/699686843.db2.gz MWSIOISGUUYAIV-HIFRSBDPSA-N 2 1 344.459 1.584 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941675001 701614830 /nfs/dbraw/zinc/61/48/30/701614830.db2.gz PJXXEYFRVHMNAP-KRWDZBQOSA-N 2 1 340.487 1.049 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000939753959 699903820 /nfs/dbraw/zinc/90/38/20/699903820.db2.gz KDFATPOXGHNQSF-NWDGAFQWSA-N 2 1 342.896 1.829 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)co1 ZINC000939813382 699960781 /nfs/dbraw/zinc/96/07/81/699960781.db2.gz ZWMJNHWJRDCIDM-RHSMWYFYSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2cccnc2)CC1 ZINC000940214472 700353974 /nfs/dbraw/zinc/35/39/74/700353974.db2.gz OYBLAAAZSWDVRE-UHFFFAOYSA-N 2 1 327.432 1.757 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2ccccn2)CC1 ZINC000940214816 700354674 /nfs/dbraw/zinc/35/46/74/700354674.db2.gz XWDHKUAGFFSPBZ-UHFFFAOYSA-N 2 1 327.432 1.757 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC000940211566 700377533 /nfs/dbraw/zinc/37/75/33/700377533.db2.gz HRZHSIPWQOEMKY-SJORKVTESA-N 2 1 348.491 1.977 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nncn3C)CC2)CC[N@H+]1C ZINC000940282276 700471174 /nfs/dbraw/zinc/47/11/74/700471174.db2.gz LRCMHSXXUOGWBH-GJZGRUSLSA-N 2 1 348.495 1.016 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)no1 ZINC000940328372 700506330 /nfs/dbraw/zinc/50/63/30/700506330.db2.gz IAVXGFOTJNBQEE-CQSZACIVSA-N 2 1 349.479 1.587 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)no1 ZINC000940328372 700506333 /nfs/dbraw/zinc/50/63/33/700506333.db2.gz IAVXGFOTJNBQEE-CQSZACIVSA-N 2 1 349.479 1.587 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)no1 ZINC000940329644 700509114 /nfs/dbraw/zinc/50/91/14/700509114.db2.gz WGVQNLNJBJLPDW-KGLIPLIRSA-N 2 1 349.479 1.300 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)no1 ZINC000940329644 700509116 /nfs/dbraw/zinc/50/91/16/700509116.db2.gz WGVQNLNJBJLPDW-KGLIPLIRSA-N 2 1 349.479 1.300 20 0 EDADMP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000940373132 700556035 /nfs/dbraw/zinc/55/60/35/700556035.db2.gz FDALFWUXHPRWTC-HZPDHXFCSA-N 2 1 347.463 1.557 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nc(C)no2)CC1 ZINC000940472102 700657587 /nfs/dbraw/zinc/65/75/87/700657587.db2.gz JHQKOSDGGDWCMI-HNNXBMFYSA-N 2 1 349.479 1.723 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nc(C)no2)CC1 ZINC000940472102 700657588 /nfs/dbraw/zinc/65/75/88/700657588.db2.gz JHQKOSDGGDWCMI-HNNXBMFYSA-N 2 1 349.479 1.723 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000940461761 700664814 /nfs/dbraw/zinc/66/48/14/700664814.db2.gz JPTPBTOGVQFYEG-QFBILLFUSA-N 2 1 346.475 1.589 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cnsn3)C2)CC1 ZINC000995079569 700689481 /nfs/dbraw/zinc/68/94/81/700689481.db2.gz NZVRVJHUEDSTAQ-OCCSQVGLSA-N 2 1 337.493 1.254 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2cccn2)CC1(C)C ZINC000940843206 700939409 /nfs/dbraw/zinc/93/94/09/700939409.db2.gz ZEVVHTNAPHFKND-IRXDYDNUSA-N 2 1 347.507 1.584 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2cccn2)CC1(C)C ZINC000940843206 700939410 /nfs/dbraw/zinc/93/94/10/700939410.db2.gz ZEVVHTNAPHFKND-IRXDYDNUSA-N 2 1 347.507 1.584 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cccn2)CC1(C)C ZINC000940843206 700939411 /nfs/dbraw/zinc/93/94/11/700939411.db2.gz ZEVVHTNAPHFKND-IRXDYDNUSA-N 2 1 347.507 1.584 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971833 701014656 /nfs/dbraw/zinc/01/46/56/701014656.db2.gz DIERFROVFNSOIE-JKSUJKDBSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971833 701014658 /nfs/dbraw/zinc/01/46/58/701014658.db2.gz DIERFROVFNSOIE-JKSUJKDBSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971833 701014660 /nfs/dbraw/zinc/01/46/60/701014660.db2.gz DIERFROVFNSOIE-JKSUJKDBSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971833 701014662 /nfs/dbraw/zinc/01/46/62/701014662.db2.gz DIERFROVFNSOIE-JKSUJKDBSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001031922792 701091623 /nfs/dbraw/zinc/09/16/23/701091623.db2.gz JZIVMULROITSOG-QFBILLFUSA-N 2 1 345.487 1.905 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941091141 701134375 /nfs/dbraw/zinc/13/43/75/701134375.db2.gz NGXGVMPAJZDXMW-KRWDZBQOSA-N 2 1 349.523 1.931 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(F)cn3)CC2(C)C)C1 ZINC000941217575 701403806 /nfs/dbraw/zinc/40/38/06/701403806.db2.gz PNWZIDLYJANBPK-PBHICJAKSA-N 2 1 348.466 1.889 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(F)cn3)CC2(C)C)C1 ZINC000941217575 701403807 /nfs/dbraw/zinc/40/38/07/701403807.db2.gz PNWZIDLYJANBPK-PBHICJAKSA-N 2 1 348.466 1.889 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cn3)CC2(C)C)C1 ZINC000941217575 701403808 /nfs/dbraw/zinc/40/38/08/701403808.db2.gz PNWZIDLYJANBPK-PBHICJAKSA-N 2 1 348.466 1.889 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cn3)CC2(C)C)C1 ZINC000941217575 701403809 /nfs/dbraw/zinc/40/38/09/701403809.db2.gz PNWZIDLYJANBPK-PBHICJAKSA-N 2 1 348.466 1.889 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC=C(C)C)CC2(C)C)C1 ZINC000941231090 701405016 /nfs/dbraw/zinc/40/50/16/701405016.db2.gz NCJVTIXQCZBPJA-SJORKVTESA-N 2 1 337.508 1.890 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC=C(C)C)CC2(C)C)C1 ZINC000941231090 701405017 /nfs/dbraw/zinc/40/50/17/701405017.db2.gz NCJVTIXQCZBPJA-SJORKVTESA-N 2 1 337.508 1.890 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CC=C(C)C)CC2(C)C)C1 ZINC000941231090 701405019 /nfs/dbraw/zinc/40/50/19/701405019.db2.gz NCJVTIXQCZBPJA-SJORKVTESA-N 2 1 337.508 1.890 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)CC2(C)C)C1 ZINC000941231090 701405021 /nfs/dbraw/zinc/40/50/21/701405021.db2.gz NCJVTIXQCZBPJA-SJORKVTESA-N 2 1 337.508 1.890 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2CCOCC2)CC1(C)C ZINC000941223719 701414077 /nfs/dbraw/zinc/41/40/77/701414077.db2.gz KAIFDTWIGDFOMC-KRWDZBQOSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)CC1(C)C ZINC000941223719 701414078 /nfs/dbraw/zinc/41/40/78/701414078.db2.gz KAIFDTWIGDFOMC-KRWDZBQOSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1noc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000995135825 701448313 /nfs/dbraw/zinc/44/83/13/701448313.db2.gz SJZGHWFTYPUZMD-JKSUJKDBSA-N 2 1 349.479 1.484 20 0 EDADMP CC(C)[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)C1 ZINC000941436777 701540119 /nfs/dbraw/zinc/54/01/19/701540119.db2.gz GEMLHPQZJBTWKW-LJQANCHMSA-N 2 1 348.535 1.630 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995802764 702047346 /nfs/dbraw/zinc/04/73/46/702047346.db2.gz OHLFZUIPBFHTPA-SJORKVTESA-N 2 1 347.507 1.620 20 0 EDADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)C(C)(C)C ZINC000354657875 702055478 /nfs/dbraw/zinc/05/54/78/702055478.db2.gz YWTFMDMFXFRQCG-CVEARBPZSA-N 2 1 325.497 1.722 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1cscn1 ZINC000995821553 702090975 /nfs/dbraw/zinc/09/09/75/702090975.db2.gz IUERKKOGANOMMG-HZPDHXFCSA-N 2 1 348.516 1.812 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@H+]3CC)C2)o1 ZINC001032205626 702091333 /nfs/dbraw/zinc/09/13/33/702091333.db2.gz DERYJZVDIOIDDA-INIZCTEOSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)o1 ZINC001032205626 702091341 /nfs/dbraw/zinc/09/13/41/702091341.db2.gz DERYJZVDIOIDDA-INIZCTEOSA-N 2 1 348.491 1.968 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3nccn3C)C(C)(C)C2)CC[N@H+]1C ZINC000995824770 702095638 /nfs/dbraw/zinc/09/56/38/702095638.db2.gz KKRZFQKJYLIFFJ-KFWWJZLASA-N 2 1 333.480 1.087 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnccc2C)C1 ZINC001032206007 702121989 /nfs/dbraw/zinc/12/19/89/702121989.db2.gz PBYPGIAIRUYNMQ-GOSISDBHSA-N 2 1 330.476 1.812 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnccc2C)C1 ZINC001032206007 702121992 /nfs/dbraw/zinc/12/19/92/702121992.db2.gz PBYPGIAIRUYNMQ-GOSISDBHSA-N 2 1 330.476 1.812 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995871356 702175062 /nfs/dbraw/zinc/17/50/62/702175062.db2.gz KSVIQZVOLGWCOQ-DLBZAZTESA-N 2 1 347.507 1.584 20 0 EDADMP CC1(C)CN(C(=O)CCc2cnc[nH]2)C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000995879072 702186073 /nfs/dbraw/zinc/18/60/73/702186073.db2.gz BJTRBYBJBKUKPX-GDBMZVCRSA-N 2 1 334.464 1.596 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000995879780 702187701 /nfs/dbraw/zinc/18/77/01/702187701.db2.gz IDODUAJUYLZAPT-HOTGVXAUSA-N 2 1 345.491 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000995879780 702187703 /nfs/dbraw/zinc/18/77/03/702187703.db2.gz IDODUAJUYLZAPT-HOTGVXAUSA-N 2 1 345.491 1.678 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cc(C)no3)C2)CC[N@H+]1C ZINC000999203442 706648348 /nfs/dbraw/zinc/64/83/48/706648348.db2.gz BQEBFZJAZSGJLR-BHYGNILZSA-N 2 1 334.464 1.794 20 0 EDADMP CC(=O)Nc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001032182317 702195995 /nfs/dbraw/zinc/19/59/95/702195995.db2.gz JDJAUWUSDBQQCR-KRWDZBQOSA-N 2 1 344.459 1.145 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ncnn2C)C(C)(C)C1 ZINC000995887368 702225170 /nfs/dbraw/zinc/22/51/70/702225170.db2.gz QHPQHHHCQXUHIS-CABCVRRESA-N 2 1 348.495 1.016 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ncnn2C)C(C)(C)C1 ZINC000995887368 702225173 /nfs/dbraw/zinc/22/51/73/702225173.db2.gz QHPQHHHCQXUHIS-CABCVRRESA-N 2 1 348.495 1.016 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000995887140 702225333 /nfs/dbraw/zinc/22/53/33/702225333.db2.gz PBUSBVVRUMSLTE-IAGOWNOFSA-N 2 1 347.507 1.621 20 0 EDADMP Cn1cc(CC[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)cn1 ZINC000995920207 702241506 /nfs/dbraw/zinc/24/15/06/702241506.db2.gz TYQAHUWAECPITL-KRWDZBQOSA-N 2 1 347.507 1.274 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995921750 702244037 /nfs/dbraw/zinc/24/40/37/702244037.db2.gz XVTFQQFWRYRRLL-INIZCTEOSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)cn1 ZINC000995915799 702276172 /nfs/dbraw/zinc/27/61/72/702276172.db2.gz GTXFMWVORZQXJG-QGZVFWFLSA-N 2 1 345.491 1.596 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCOc3ccc(F)cc3)C2)C1 ZINC001032186796 702283119 /nfs/dbraw/zinc/28/31/19/702283119.db2.gz WXFMTJYBXDXXSH-OAHLLOKOSA-N 2 1 335.423 1.204 20 0 EDADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995964603 702309393 /nfs/dbraw/zinc/30/93/93/702309393.db2.gz BJSOTUPDCNYSJI-IAGOWNOFSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cccc(C)c1OCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186315 702323671 /nfs/dbraw/zinc/32/36/71/702323671.db2.gz NJIJVPLAAVCHOR-SFHVURJKSA-N 2 1 345.487 1.682 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CC3CCCC3)C(C)(C)C2)O1 ZINC000995961169 702328034 /nfs/dbraw/zinc/32/80/34/702328034.db2.gz WHRQZKZAUXIRDJ-OIISXLGYSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]CC3CCCC3)C(C)(C)C2)O1 ZINC000995961169 702328040 /nfs/dbraw/zinc/32/80/40/702328040.db2.gz WHRQZKZAUXIRDJ-OIISXLGYSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H](O)C[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1(C)C ZINC000995982419 702342401 /nfs/dbraw/zinc/34/24/01/702342401.db2.gz ALGUNYCKVGSIJZ-ZBFHGGJFSA-N 2 1 339.524 1.847 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000995985576 702346230 /nfs/dbraw/zinc/34/62/30/702346230.db2.gz WJJBZQRHARIISH-DLBZAZTESA-N 2 1 337.508 1.724 20 0 EDADMP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC000995196909 702448338 /nfs/dbraw/zinc/44/83/38/702448338.db2.gz APJRFYZXKAFEJJ-CABCVRRESA-N 2 1 331.420 1.563 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2cc(C)ncn2)C(C)(C)C1 ZINC000996043671 702461749 /nfs/dbraw/zinc/46/17/49/702461749.db2.gz PUBKVXLDZLLVTL-MRXNPFEDSA-N 2 1 342.447 1.317 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3cncn3C)C(C)(C)C2)CC[N@H+]1C ZINC000996195402 702622115 /nfs/dbraw/zinc/62/21/15/702622115.db2.gz KATGVQMDZJJHBO-YQQAZPJKSA-N 2 1 347.507 1.477 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000996246097 702649590 /nfs/dbraw/zinc/64/95/90/702649590.db2.gz JMBMDSNJLVIADX-JKSUJKDBSA-N 2 1 336.480 1.896 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)n1 ZINC000996293129 702685302 /nfs/dbraw/zinc/68/53/02/702685302.db2.gz BJEAMZSUJIMUES-HOCLYGCPSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)n1 ZINC000996293129 702685304 /nfs/dbraw/zinc/68/53/04/702685304.db2.gz BJEAMZSUJIMUES-HOCLYGCPSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)n1 ZINC000995217315 702737565 /nfs/dbraw/zinc/73/75/65/702737565.db2.gz WJIVOERNZROJSV-HZPDHXFCSA-N 2 1 344.463 1.483 20 0 EDADMP Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996512069 702831453 /nfs/dbraw/zinc/83/14/53/702831453.db2.gz ABVPQRTXJWGWTH-NVXWUHKLSA-N 2 1 347.507 1.131 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)[nH]1 ZINC000996500591 702839788 /nfs/dbraw/zinc/83/97/88/702839788.db2.gz HBLDKQOFWNQBRG-GDBMZVCRSA-N 2 1 346.479 1.068 20 0 EDADMP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000996524412 702841142 /nfs/dbraw/zinc/84/11/42/702841142.db2.gz PSSMYOYFSXJJAD-HZPDHXFCSA-N 2 1 337.508 1.602 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]Cc3ccccn3)C(C)(C)C2)C1 ZINC000996516511 702851996 /nfs/dbraw/zinc/85/19/96/702851996.db2.gz AMVGFQYPVYWIDN-RDJZCZTQSA-N 2 1 330.476 1.750 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC000996602921 702912498 /nfs/dbraw/zinc/91/24/98/702912498.db2.gz KJBDMYSJIWROSU-MLGOLLRUSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996605493 702915102 /nfs/dbraw/zinc/91/51/02/702915102.db2.gz FOYWFRVWKNDKHC-GDBMZVCRSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)s1 ZINC000996610801 702915755 /nfs/dbraw/zinc/91/57/55/702915755.db2.gz KUPUYCAMEURZKP-KGLIPLIRSA-N 2 1 336.505 1.730 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996624191 702921847 /nfs/dbraw/zinc/92/18/47/702921847.db2.gz WYLRFMWILURYFW-MSOLQXFVSA-N 2 1 335.492 1.620 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)oc1C ZINC000996616849 702923918 /nfs/dbraw/zinc/92/39/18/702923918.db2.gz UNZCNUNUPFCHMU-CABCVRRESA-N 2 1 334.464 1.570 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)oc1C ZINC000996616849 702923920 /nfs/dbraw/zinc/92/39/20/702923920.db2.gz UNZCNUNUPFCHMU-CABCVRRESA-N 2 1 334.464 1.570 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3coc(C4CC4)n3)C(C)(C)C2)C1 ZINC000996618484 702925210 /nfs/dbraw/zinc/92/52/10/702925210.db2.gz XKJHEAOFDLTFPG-GDBMZVCRSA-N 2 1 346.475 1.830 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3coc(C4CC4)n3)C(C)(C)C2)C1 ZINC000996618484 702925211 /nfs/dbraw/zinc/92/52/11/702925211.db2.gz XKJHEAOFDLTFPG-GDBMZVCRSA-N 2 1 346.475 1.830 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996648409 702950224 /nfs/dbraw/zinc/95/02/24/702950224.db2.gz RUFIWKDXOOAAQU-SJORKVTESA-N 2 1 346.475 1.129 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996648409 702950225 /nfs/dbraw/zinc/95/02/25/702950225.db2.gz RUFIWKDXOOAAQU-SJORKVTESA-N 2 1 346.475 1.129 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccnn3C)CC2)C1 ZINC000996667184 702964162 /nfs/dbraw/zinc/96/41/62/702964162.db2.gz UQCFMDHYXDJQNU-MRXNPFEDSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996668987 702970317 /nfs/dbraw/zinc/97/03/17/702970317.db2.gz NKQHLCCJUDNHQE-SFHVURJKSA-N 2 1 347.507 1.727 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1)C1CC1 ZINC000996675087 702973946 /nfs/dbraw/zinc/97/39/46/702973946.db2.gz FBGOMWOCXLGRMJ-INIZCTEOSA-N 2 1 347.463 1.368 20 0 EDADMP CCn1ncnc1C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000996691242 702988429 /nfs/dbraw/zinc/98/84/29/702988429.db2.gz UBMCHFUPYSBAGQ-MRXNPFEDSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996692831 702990015 /nfs/dbraw/zinc/99/00/15/702990015.db2.gz ZCHKDRKIBHQCEU-XJKSGUPXSA-N 2 1 349.479 1.894 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000996692831 702990017 /nfs/dbraw/zinc/99/00/17/702990017.db2.gz ZCHKDRKIBHQCEU-XJKSGUPXSA-N 2 1 349.479 1.894 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ncccc2C)C[C@@H]1C ZINC000942518790 703020661 /nfs/dbraw/zinc/02/06/61/703020661.db2.gz XAZJBSORTNFTFJ-DOTOQJQBSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ncccc2C)C[C@@H]1C ZINC000942518790 703020663 /nfs/dbraw/zinc/02/06/63/703020663.db2.gz XAZJBSORTNFTFJ-DOTOQJQBSA-N 2 1 341.459 1.922 20 0 EDADMP CCCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000996766931 703058373 /nfs/dbraw/zinc/05/83/73/703058373.db2.gz QNDDUCHIJWKCFV-ABHNRTSZSA-N 2 1 336.524 1.536 20 0 EDADMP CCC[NH+]1CCN(C2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000996766931 703058378 /nfs/dbraw/zinc/05/83/78/703058378.db2.gz QNDDUCHIJWKCFV-ABHNRTSZSA-N 2 1 336.524 1.536 20 0 EDADMP CCCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000996803333 703093728 /nfs/dbraw/zinc/09/37/28/703093728.db2.gz SGFCFTOCGVCWPB-WWDZGPRUSA-N 2 1 336.524 1.393 20 0 EDADMP CCC[NH+]1CCN(C2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996803333 703093731 /nfs/dbraw/zinc/09/37/31/703093731.db2.gz SGFCFTOCGVCWPB-WWDZGPRUSA-N 2 1 336.524 1.393 20 0 EDADMP CCC[NH+]1CCN(C2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000996803333 703093734 /nfs/dbraw/zinc/09/37/34/703093734.db2.gz SGFCFTOCGVCWPB-WWDZGPRUSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cncn2C)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598051 703112698 /nfs/dbraw/zinc/11/26/98/703112698.db2.gz QRPHGTUEUHADHW-PBHICJAKSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598055 703112760 /nfs/dbraw/zinc/11/27/60/703112760.db2.gz QTRKLSRTDKLSOC-KBXCAEBGSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)n1 ZINC000996854326 703133032 /nfs/dbraw/zinc/13/30/32/703133032.db2.gz BYIPCMQZIHRADB-QGZVFWFLSA-N 2 1 347.463 1.333 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3ccn(C)n3)CC2)C1 ZINC000996903025 703177594 /nfs/dbraw/zinc/17/75/94/703177594.db2.gz GKHCZYAMLFNUPK-MRXNPFEDSA-N 2 1 347.507 1.623 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cncn2C)CC1 ZINC000996979772 703235131 /nfs/dbraw/zinc/23/51/31/703235131.db2.gz PIDVQMUHEMKZJI-PBHICJAKSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)oc1C ZINC000996995821 703252787 /nfs/dbraw/zinc/25/27/87/703252787.db2.gz RAKZWVPFGNHALD-ZDUSSCGKSA-N 2 1 334.464 1.856 20 0 EDADMP Cn1nccc1CC[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000996999366 703256302 /nfs/dbraw/zinc/25/63/02/703256302.db2.gz NVFIMERVQJMTKB-UHFFFAOYSA-N 2 1 347.507 1.275 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)[nH]1 ZINC000997002659 703259259 /nfs/dbraw/zinc/25/92/59/703259259.db2.gz XTFUGQCOCLBWIT-ZIAGYGMSSA-N 2 1 348.495 1.493 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000997004099 703261282 /nfs/dbraw/zinc/26/12/82/703261282.db2.gz BSKAATJBMKRVCL-DNVCBOLYSA-N 2 1 345.487 1.457 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3nc(C4CC4)no3)CC2)C1 ZINC000997006495 703263836 /nfs/dbraw/zinc/26/38/36/703263836.db2.gz MHCMFSPDTUBZLX-ZDUSSCGKSA-N 2 1 347.463 1.369 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3nc(C4CC4)no3)CC2)C1 ZINC000997006495 703263837 /nfs/dbraw/zinc/26/38/37/703263837.db2.gz MHCMFSPDTUBZLX-ZDUSSCGKSA-N 2 1 347.463 1.369 20 0 EDADMP COc1ccnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)c1 ZINC000997006538 703263894 /nfs/dbraw/zinc/26/38/94/703263894.db2.gz MQAKXYNATRBJSU-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997009266 703270043 /nfs/dbraw/zinc/27/00/43/703270043.db2.gz ZGEMZNXYCKCLOQ-UONOGXRCSA-N 2 1 349.479 1.615 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997009266 703270044 /nfs/dbraw/zinc/27/00/44/703270044.db2.gz ZGEMZNXYCKCLOQ-UONOGXRCSA-N 2 1 349.479 1.615 20 0 EDADMP C[C@H]1C[N@@H+](CCn2cccn2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942823342 703332080 /nfs/dbraw/zinc/33/20/80/703332080.db2.gz TZVGADOVGAZMCO-IRXDYDNUSA-N 2 1 347.507 1.442 20 0 EDADMP C[C@H]1C[NH+](CCn2cccn2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942823342 703332081 /nfs/dbraw/zinc/33/20/81/703332081.db2.gz TZVGADOVGAZMCO-IRXDYDNUSA-N 2 1 347.507 1.442 20 0 EDADMP C[C@H]1C[NH+](CCn2cccn2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942823342 703332082 /nfs/dbraw/zinc/33/20/82/703332082.db2.gz TZVGADOVGAZMCO-IRXDYDNUSA-N 2 1 347.507 1.442 20 0 EDADMP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000997086616 703332208 /nfs/dbraw/zinc/33/22/08/703332208.db2.gz AHFHALAXFDUNIY-WMZOPIPTSA-N 2 1 345.491 1.518 20 0 EDADMP CCN1CC[NH+](CCCC[NH2+]Cc2c(Cl)c(C)nn2C)CC1 ZINC000921528692 703387083 /nfs/dbraw/zinc/38/70/83/703387083.db2.gz VJZSRAGTTSOYIE-UHFFFAOYSA-N 2 1 327.904 1.889 20 0 EDADMP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000997133352 703393542 /nfs/dbraw/zinc/39/35/42/703393542.db2.gz XVIAQWFRUVVJLD-ZBFHGGJFSA-N 2 1 334.464 1.624 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCF)CC1)C2 ZINC000997297816 703556036 /nfs/dbraw/zinc/55/60/36/703556036.db2.gz JVOBDLSEIAVXEZ-CZUORRHYSA-N 2 1 336.455 1.940 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]CCc3ccccc3F)CC2)C1 ZINC000997299902 703557166 /nfs/dbraw/zinc/55/71/66/703557166.db2.gz QZYKESITZXHWJA-INIZCTEOSA-N 2 1 333.451 1.901 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000997309307 703566732 /nfs/dbraw/zinc/56/67/32/703566732.db2.gz JBRHHUQJUZACDC-GOSISDBHSA-N 2 1 342.443 1.506 20 0 EDADMP CCn1ncc(C[NH2+]C2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000997360149 703590412 /nfs/dbraw/zinc/59/04/12/703590412.db2.gz LZPYUAGHERGFRV-GASCZTMLSA-N 2 1 348.495 1.251 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000997361853 703595887 /nfs/dbraw/zinc/59/58/87/703595887.db2.gz YCSUSJVKLLWMRG-BETUJISGSA-N 2 1 335.452 1.331 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000997361853 703595889 /nfs/dbraw/zinc/59/58/89/703595889.db2.gz YCSUSJVKLLWMRG-BETUJISGSA-N 2 1 335.452 1.331 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000997366952 703601072 /nfs/dbraw/zinc/60/10/72/703601072.db2.gz QVYZBJWEADBURI-QAPCUYQASA-N 2 1 345.491 1.993 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(C)o2)CC1 ZINC000997367125 703601361 /nfs/dbraw/zinc/60/13/61/703601361.db2.gz UVDWXAXULSXEIA-BBRMVZONSA-N 2 1 349.479 1.894 20 0 EDADMP CCO[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)C[NH+](C)C ZINC000921565718 703606072 /nfs/dbraw/zinc/60/60/72/703606072.db2.gz PIVGLUHBMXRIIK-DLBZAZTESA-N 2 1 342.528 1.620 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(CO)cc1)C1CC1 ZINC001032445239 703623245 /nfs/dbraw/zinc/62/32/45/703623245.db2.gz APYKKTPHKOGSGI-FHWLQOOXSA-N 2 1 343.471 1.304 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(CO)cc1)C1CC1 ZINC001032445239 703623246 /nfs/dbraw/zinc/62/32/46/703623246.db2.gz APYKKTPHKOGSGI-FHWLQOOXSA-N 2 1 343.471 1.304 20 0 EDADMP Cc1ncoc1CN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001032456727 703634895 /nfs/dbraw/zinc/63/48/95/703634895.db2.gz VRKBTHZOUVOJGY-JYJNAYRXSA-N 2 1 332.448 1.643 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@@H](C)NC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC000997391198 703658149 /nfs/dbraw/zinc/65/81/49/703658149.db2.gz VRUYLPXNTIPIDV-OAHLLOKOSA-N 2 1 346.475 1.796 20 0 EDADMP CCn1ccnc1C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997419794 703670091 /nfs/dbraw/zinc/67/00/91/703670091.db2.gz CMSNTECIBQDWKU-WBVHZDCISA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccnc1C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997419794 703670092 /nfs/dbraw/zinc/67/00/92/703670092.db2.gz CMSNTECIBQDWKU-WBVHZDCISA-N 2 1 347.507 1.571 20 0 EDADMP Cc1ncoc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997422255 703670879 /nfs/dbraw/zinc/67/08/79/703670879.db2.gz USVCYQHJYUHHBK-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1csnn1 ZINC000997615929 703915336 /nfs/dbraw/zinc/91/53/36/703915336.db2.gz XMHQIUKNVDXWLV-WFASDCNBSA-N 2 1 337.493 1.522 20 0 EDADMP CCn1nncc1CN1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001004209519 703952236 /nfs/dbraw/zinc/95/22/36/703952236.db2.gz UAPSXMRIUANPJA-KRWDZBQOSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3nonc3C)C2)C1 ZINC000999284202 706777027 /nfs/dbraw/zinc/77/70/27/706777027.db2.gz SFIPFCPMWHDZPC-FHERZECASA-N 2 1 349.479 1.579 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3nonc3C)C2)C1 ZINC000999284202 706777031 /nfs/dbraw/zinc/77/70/31/706777031.db2.gz SFIPFCPMWHDZPC-FHERZECASA-N 2 1 349.479 1.579 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)s1 ZINC000995551364 703956588 /nfs/dbraw/zinc/95/65/88/703956588.db2.gz MHGNYBIBQFVDHB-GJZGRUSLSA-N 2 1 336.505 1.872 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnc(C)cn2)CC1 ZINC001004206592 703964418 /nfs/dbraw/zinc/96/44/18/703964418.db2.gz FKQSWTLYMRGVHL-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnc(C)cn2)CC1 ZINC001004206592 703964421 /nfs/dbraw/zinc/96/44/21/703964421.db2.gz FKQSWTLYMRGVHL-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nnc(C)o3)C2)C1 ZINC000999291182 706786659 /nfs/dbraw/zinc/78/66/59/706786659.db2.gz PNQXJPOBUFMPOK-QQFBHYJXSA-N 2 1 349.479 1.579 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nnc(C)o3)C2)C1 ZINC000999291182 706786662 /nfs/dbraw/zinc/78/66/62/706786662.db2.gz PNQXJPOBUFMPOK-QQFBHYJXSA-N 2 1 349.479 1.579 20 0 EDADMP CCc1nc(CNC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)no1 ZINC000999291495 706786852 /nfs/dbraw/zinc/78/68/52/706786852.db2.gz BWWAKBZANZNCNO-HESLUPGFSA-N 2 1 349.479 1.441 20 0 EDADMP CCn1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC000999294438 706791664 /nfs/dbraw/zinc/79/16/64/706791664.db2.gz TVSOKACVOIJNGW-JPQBHMHHSA-N 2 1 348.495 1.107 20 0 EDADMP CCn1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n1 ZINC000999294438 706791667 /nfs/dbraw/zinc/79/16/67/706791667.db2.gz TVSOKACVOIJNGW-JPQBHMHHSA-N 2 1 348.495 1.107 20 0 EDADMP CC(C)=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084030 704153059 /nfs/dbraw/zinc/15/30/59/704153059.db2.gz DQSQBXYLXWSJLG-MRXNPFEDSA-N 2 1 333.480 1.557 20 0 EDADMP CCc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc(C)[nH+]1 ZINC001061472328 704217924 /nfs/dbraw/zinc/21/79/24/704217924.db2.gz WKAAZLOTPAZMJX-KBRIMQKVSA-N 2 1 345.491 1.773 20 0 EDADMP CCc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(C)[nH+]1 ZINC001061472328 704217926 /nfs/dbraw/zinc/21/79/26/704217926.db2.gz WKAAZLOTPAZMJX-KBRIMQKVSA-N 2 1 345.491 1.773 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999307245 706807218 /nfs/dbraw/zinc/80/72/18/706807218.db2.gz MZASDKJRAXESGW-CVEARBPZSA-N 2 1 331.464 1.432 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999307245 706807221 /nfs/dbraw/zinc/80/72/21/706807221.db2.gz MZASDKJRAXESGW-CVEARBPZSA-N 2 1 331.464 1.432 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC3CC3)CC2)C1 ZINC001004377354 704352904 /nfs/dbraw/zinc/35/29/04/704352904.db2.gz AYQXGUVARSQRHW-MSOLQXFVSA-N 2 1 335.492 1.430 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC3CC3)CC2)C1 ZINC001004377354 704352907 /nfs/dbraw/zinc/35/29/07/704352907.db2.gz AYQXGUVARSQRHW-MSOLQXFVSA-N 2 1 335.492 1.430 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001004377354 704352910 /nfs/dbraw/zinc/35/29/10/704352910.db2.gz AYQXGUVARSQRHW-MSOLQXFVSA-N 2 1 335.492 1.430 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC3CC3)CC2)C1 ZINC001004377354 704352913 /nfs/dbraw/zinc/35/29/13/704352913.db2.gz AYQXGUVARSQRHW-MSOLQXFVSA-N 2 1 335.492 1.430 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004440238 704422667 /nfs/dbraw/zinc/42/26/67/704422667.db2.gz YKROIEAWLGJXMV-MSOLQXFVSA-N 2 1 335.492 1.024 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccsc3)C(C)(C)C2)C1 ZINC000995594773 704561608 /nfs/dbraw/zinc/56/16/08/704561608.db2.gz CLEJRDVLKWGAOT-HUUCEWRRSA-N 2 1 337.489 1.405 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccsc3)C(C)(C)C2)C1 ZINC000995594773 704561611 /nfs/dbraw/zinc/56/16/11/704561611.db2.gz CLEJRDVLKWGAOT-HUUCEWRRSA-N 2 1 337.489 1.405 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)C1 ZINC000995604750 704568400 /nfs/dbraw/zinc/56/84/00/704568400.db2.gz MROXIDVCGSRLAF-ZIAGYGMSSA-N 2 1 345.434 1.189 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)C1 ZINC000995604750 704568401 /nfs/dbraw/zinc/56/84/01/704568401.db2.gz MROXIDVCGSRLAF-ZIAGYGMSSA-N 2 1 345.434 1.189 20 0 EDADMP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032540053 704595009 /nfs/dbraw/zinc/59/50/09/704595009.db2.gz OOSJGRJDIHEXQQ-JENIJYKNSA-N 2 1 347.503 1.715 20 0 EDADMP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032540053 704595012 /nfs/dbraw/zinc/59/50/12/704595012.db2.gz OOSJGRJDIHEXQQ-JENIJYKNSA-N 2 1 347.503 1.715 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947935597 704640719 /nfs/dbraw/zinc/64/07/19/704640719.db2.gz RYJXQTXXYCLDIL-GDBMZVCRSA-N 2 1 346.475 1.802 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C)oc1C ZINC000947936681 704669523 /nfs/dbraw/zinc/66/95/23/704669523.db2.gz XTGJHPOERNNOQC-CZUORRHYSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C)oc1C ZINC000947936681 704669525 /nfs/dbraw/zinc/66/95/25/704669525.db2.gz XTGJHPOERNNOQC-CZUORRHYSA-N 2 1 346.475 1.856 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997823950 704744835 /nfs/dbraw/zinc/74/48/35/704744835.db2.gz NUWKBFKISNGFIK-IBGZPJMESA-N 2 1 349.519 1.868 20 0 EDADMP Cn1cnnc1C[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000997840188 704756727 /nfs/dbraw/zinc/75/67/27/704756727.db2.gz MXXADRIFDSZLBE-MRXNPFEDSA-N 2 1 348.495 1.018 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000997860436 704769269 /nfs/dbraw/zinc/76/92/69/704769269.db2.gz HEZYTIGLLXRVPL-MAUKXSAKSA-N 2 1 330.476 1.750 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997864554 704771264 /nfs/dbraw/zinc/77/12/64/704771264.db2.gz KNCMLRXFIALQJW-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP CCn1ccc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997866640 704773296 /nfs/dbraw/zinc/77/32/96/704773296.db2.gz MJMZHLVNVXYXSC-DOTOQJQBSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997866640 704773298 /nfs/dbraw/zinc/77/32/98/704773298.db2.gz MJMZHLVNVXYXSC-DOTOQJQBSA-N 2 1 347.507 1.571 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)cn1 ZINC000944943557 704796388 /nfs/dbraw/zinc/79/63/88/704796388.db2.gz IPKLTKSIRWVKDB-RHSMWYFYSA-N 2 1 331.464 1.207 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944945324 704798321 /nfs/dbraw/zinc/79/83/21/704798321.db2.gz RDULMHBAMQAIHE-RHSMWYFYSA-N 2 1 334.439 1.643 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944945324 704798322 /nfs/dbraw/zinc/79/83/22/704798322.db2.gz RDULMHBAMQAIHE-RHSMWYFYSA-N 2 1 334.439 1.643 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)on1 ZINC000944946198 704799008 /nfs/dbraw/zinc/79/90/08/704799008.db2.gz VEWIRECZVXGNDL-ZFWWWQNUSA-N 2 1 336.436 1.106 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)on1 ZINC000944946198 704799010 /nfs/dbraw/zinc/79/90/10/704799010.db2.gz VEWIRECZVXGNDL-ZFWWWQNUSA-N 2 1 336.436 1.106 20 0 EDADMP Cc1nccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1C ZINC000944966019 704837687 /nfs/dbraw/zinc/83/76/87/704837687.db2.gz WVXQLCBOTWQCFH-RHSMWYFYSA-N 2 1 327.432 1.613 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1C ZINC000944966019 704837699 /nfs/dbraw/zinc/83/76/99/704837699.db2.gz WVXQLCBOTWQCFH-RHSMWYFYSA-N 2 1 327.432 1.613 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000356105681 704972319 /nfs/dbraw/zinc/97/23/19/704972319.db2.gz JCSHSZDUVQOFSK-GJZGRUSLSA-N 2 1 332.448 1.469 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2nonc2C)CC1 ZINC000997947732 705068443 /nfs/dbraw/zinc/06/84/43/705068443.db2.gz DRTGXKKLWZRFDL-RDJZCZTQSA-N 2 1 349.479 1.675 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2nonc2C)CC1 ZINC000997947732 705068447 /nfs/dbraw/zinc/06/84/47/705068447.db2.gz DRTGXKKLWZRFDL-RDJZCZTQSA-N 2 1 349.479 1.675 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2nonc2C)CC1 ZINC000997947732 705068452 /nfs/dbraw/zinc/06/84/52/705068452.db2.gz DRTGXKKLWZRFDL-RDJZCZTQSA-N 2 1 349.479 1.675 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2nonc2C)CC1 ZINC000997947732 705068455 /nfs/dbraw/zinc/06/84/55/705068455.db2.gz DRTGXKKLWZRFDL-RDJZCZTQSA-N 2 1 349.479 1.675 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC000997947720 705068740 /nfs/dbraw/zinc/06/87/40/705068740.db2.gz DRCQKQGQWRFMNT-IAGOWNOFSA-N 2 1 348.495 1.075 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](CCn2cncn2)CC1 ZINC000997947720 705068747 /nfs/dbraw/zinc/06/87/47/705068747.db2.gz DRCQKQGQWRFMNT-IAGOWNOFSA-N 2 1 348.495 1.075 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](CCn2cncn2)CC1 ZINC000997947720 705068753 /nfs/dbraw/zinc/06/87/53/705068753.db2.gz DRCQKQGQWRFMNT-IAGOWNOFSA-N 2 1 348.495 1.075 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2cncn2C)CC1 ZINC000997948032 705069619 /nfs/dbraw/zinc/06/96/19/705069619.db2.gz GAXCQQPKCJGJNX-SJLPKXTDSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2cncn2C)CC1 ZINC000997948032 705069625 /nfs/dbraw/zinc/06/96/25/705069625.db2.gz GAXCQQPKCJGJNX-SJLPKXTDSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2cncn2C)CC1 ZINC000997948032 705069630 /nfs/dbraw/zinc/06/96/30/705069630.db2.gz GAXCQQPKCJGJNX-SJLPKXTDSA-N 2 1 347.507 1.717 20 0 EDADMP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998079099 705291850 /nfs/dbraw/zinc/29/18/50/705291850.db2.gz PFPZYHPCXZTVOY-KBXCAEBGSA-N 2 1 347.507 1.254 20 0 EDADMP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000998079469 705298448 /nfs/dbraw/zinc/29/84/48/705298448.db2.gz PFPZYHPCXZTVOY-RDTXWAMCSA-N 2 1 347.507 1.254 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3nccn3C)CC2)C1 ZINC000998080939 705300424 /nfs/dbraw/zinc/30/04/24/705300424.db2.gz GDMZOGDKWXKMCA-HNNXBMFYSA-N 2 1 333.480 1.090 20 0 EDADMP Cc1cccnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000998083040 705311866 /nfs/dbraw/zinc/31/18/66/705311866.db2.gz UEGIHCSEPVJZSJ-AEFFLSMTSA-N 2 1 344.503 1.916 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3ccnn3C)CC2)C1 ZINC000998083586 705312460 /nfs/dbraw/zinc/31/24/60/705312460.db2.gz WNRXGYOOILWSKZ-HNNXBMFYSA-N 2 1 333.480 1.090 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000998190451 705496360 /nfs/dbraw/zinc/49/63/60/705496360.db2.gz PYTPTIVLGOCAHK-QZTJIDSGSA-N 2 1 347.507 1.538 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000998190451 705496362 /nfs/dbraw/zinc/49/63/62/705496362.db2.gz PYTPTIVLGOCAHK-QZTJIDSGSA-N 2 1 347.507 1.538 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000998190451 705496363 /nfs/dbraw/zinc/49/63/63/705496363.db2.gz PYTPTIVLGOCAHK-QZTJIDSGSA-N 2 1 347.507 1.538 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1ncccn1 ZINC000998216772 705539401 /nfs/dbraw/zinc/53/94/01/705539401.db2.gz KPSKZGQBZUPUPL-RDJZCZTQSA-N 2 1 345.491 1.708 20 0 EDADMP Cc1nocc1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998218296 705541276 /nfs/dbraw/zinc/54/12/76/705541276.db2.gz YYVSIZQULBOUHG-INIZCTEOSA-N 2 1 334.464 1.653 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1)[NH+](C)C ZINC001032611081 705581512 /nfs/dbraw/zinc/58/15/12/705581512.db2.gz DNPWCBLFHGPLFV-OKZBNKHCSA-N 2 1 337.508 1.674 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CCC(C[NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000998269931 705647139 /nfs/dbraw/zinc/64/71/39/705647139.db2.gz RHACFETZVIZDLU-UHFFFAOYSA-N 2 1 347.463 1.371 20 0 EDADMP Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c(C)n1 ZINC000998271606 705651542 /nfs/dbraw/zinc/65/15/42/705651542.db2.gz GTOXBVAKMPUCOL-IBGZPJMESA-N 2 1 344.503 1.978 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccccc2F)C1 ZINC001032628044 705740649 /nfs/dbraw/zinc/74/06/49/705740649.db2.gz OOBPFKNLIBCHOI-NJAFHUGGSA-N 2 1 345.462 1.995 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccccc2F)C1 ZINC001032628044 705740652 /nfs/dbraw/zinc/74/06/52/705740652.db2.gz OOBPFKNLIBCHOI-NJAFHUGGSA-N 2 1 345.462 1.995 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccccc2F)C1 ZINC001032628044 705740655 /nfs/dbraw/zinc/74/06/55/705740655.db2.gz OOBPFKNLIBCHOI-NJAFHUGGSA-N 2 1 345.462 1.995 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccccc2F)C1 ZINC001032628044 705740657 /nfs/dbraw/zinc/74/06/57/705740657.db2.gz OOBPFKNLIBCHOI-NJAFHUGGSA-N 2 1 345.462 1.995 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000998548407 705983970 /nfs/dbraw/zinc/98/39/70/705983970.db2.gz HPELJOWKSAHEPW-NRXISQOPSA-N 2 1 332.448 1.725 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000998548407 705983974 /nfs/dbraw/zinc/98/39/74/705983974.db2.gz HPELJOWKSAHEPW-NRXISQOPSA-N 2 1 332.448 1.725 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000998720621 706147650 /nfs/dbraw/zinc/14/76/50/706147650.db2.gz JPWGTIILJQSOOJ-WMZOPIPTSA-N 2 1 331.460 1.870 20 0 EDADMP CN(C)c1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC000998721479 706157343 /nfs/dbraw/zinc/15/73/43/706157343.db2.gz MKSOMYLXGXICIE-DLBZAZTESA-N 2 1 345.491 1.322 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)oc1C ZINC000998993998 706411216 /nfs/dbraw/zinc/41/12/16/706411216.db2.gz IWYJVSBYQRDYQV-GPANFISMSA-N 2 1 334.464 1.855 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)oc1C ZINC000998993998 706411218 /nfs/dbraw/zinc/41/12/18/706411218.db2.gz IWYJVSBYQRDYQV-GPANFISMSA-N 2 1 334.464 1.855 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)n1 ZINC000999033470 706447218 /nfs/dbraw/zinc/44/72/18/706447218.db2.gz LSQMMYVLTPECSL-GPANFISMSA-N 2 1 349.479 1.577 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)n1 ZINC000999033470 706447219 /nfs/dbraw/zinc/44/72/19/706447219.db2.gz LSQMMYVLTPECSL-GPANFISMSA-N 2 1 349.479 1.577 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000999047219 706488348 /nfs/dbraw/zinc/48/83/48/706488348.db2.gz BDPGMXPMQXNYTI-UHFFFAOYSA-N 2 1 332.448 1.690 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2cnccc2C)C1 ZINC000999127567 706529177 /nfs/dbraw/zinc/52/91/77/706529177.db2.gz RYZQKUXSYTVORX-UHFFFAOYSA-N 2 1 327.432 1.674 20 0 EDADMP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC000999124482 706548838 /nfs/dbraw/zinc/54/88/38/706548838.db2.gz CVWWQCTZYOPPBF-UHFFFAOYSA-N 2 1 331.420 1.521 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC000999126104 706550514 /nfs/dbraw/zinc/55/05/14/706550514.db2.gz LEATYFKKELMWSS-UYSNPLJNSA-N 2 1 334.464 1.586 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC000999147002 706560716 /nfs/dbraw/zinc/56/07/16/706560716.db2.gz ZKKAKSITEQOZRX-AEFFLSMTSA-N 2 1 347.507 1.416 20 0 EDADMP CC1(C)CO[C@H](C[NH2+][C@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000999324565 706834592 /nfs/dbraw/zinc/83/45/92/706834592.db2.gz XCHDJBRUPUYWOP-HOTGVXAUSA-N 2 1 334.464 1.738 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nc1 ZINC000999375049 706869564 /nfs/dbraw/zinc/86/95/64/706869564.db2.gz TVTVLWLSEXOUGG-NVXWUHKLSA-N 2 1 331.464 1.206 20 0 EDADMP CCc1cnc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)o1 ZINC000999365010 706878499 /nfs/dbraw/zinc/87/84/99/706878499.db2.gz OVHQDAJVFSCVTA-CQSZACIVSA-N 2 1 334.464 1.802 20 0 EDADMP CCc1cnc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC000999365010 706878501 /nfs/dbraw/zinc/87/85/01/706878501.db2.gz OVHQDAJVFSCVTA-CQSZACIVSA-N 2 1 334.464 1.802 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999398127 706892771 /nfs/dbraw/zinc/89/27/71/706892771.db2.gz CKCSXIXBGHWSTD-GJZGRUSLSA-N 2 1 335.452 1.333 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999398127 706892775 /nfs/dbraw/zinc/89/27/75/706892775.db2.gz CKCSXIXBGHWSTD-GJZGRUSLSA-N 2 1 335.452 1.333 20 0 EDADMP Cc1nc(CN[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)co1 ZINC000999398404 706892858 /nfs/dbraw/zinc/89/28/58/706892858.db2.gz CYMCRTAAPDFKKJ-WBVHZDCISA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)co1 ZINC000999398404 706892860 /nfs/dbraw/zinc/89/28/60/706892860.db2.gz CYMCRTAAPDFKKJ-WBVHZDCISA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)co1 ZINC000999398404 706892865 /nfs/dbraw/zinc/89/28/65/706892865.db2.gz CYMCRTAAPDFKKJ-WBVHZDCISA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)[nH]1 ZINC000999399573 706894192 /nfs/dbraw/zinc/89/41/92/706894192.db2.gz ILYZLTPXHNYWRJ-GJZGRUSLSA-N 2 1 334.468 1.068 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC000999399573 706894195 /nfs/dbraw/zinc/89/41/95/706894195.db2.gz ILYZLTPXHNYWRJ-GJZGRUSLSA-N 2 1 334.468 1.068 20 0 EDADMP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999400902 706896034 /nfs/dbraw/zinc/89/60/34/706896034.db2.gz MNMMZDOTXTXOPO-HZPDHXFCSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)s1 ZINC000999401927 706909692 /nfs/dbraw/zinc/90/96/92/706909692.db2.gz BBJRNIIRNIOSBA-GRTSSRMGSA-N 2 1 336.505 1.872 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)o1 ZINC000999402648 706910934 /nfs/dbraw/zinc/91/09/34/706910934.db2.gz ICYDYSYYDRUGMQ-UHFFFAOYSA-N 2 1 349.479 1.443 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)o1 ZINC000999402648 706910937 /nfs/dbraw/zinc/91/09/37/706910937.db2.gz ICYDYSYYDRUGMQ-UHFFFAOYSA-N 2 1 349.479 1.443 20 0 EDADMP CCn1ncc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC000999403109 706911560 /nfs/dbraw/zinc/91/15/60/706911560.db2.gz NNIOPTLMXSTIIG-UHFFFAOYSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1ncc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC000999403109 706911562 /nfs/dbraw/zinc/91/15/62/706911562.db2.gz NNIOPTLMXSTIIG-UHFFFAOYSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1nnsc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999406166 706915353 /nfs/dbraw/zinc/91/53/53/706915353.db2.gz LNDSAVHBRZGBPM-LMWSTFAQSA-N 2 1 337.493 1.410 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]CC[C@H]2CCCO2)C1 ZINC000999406886 706916623 /nfs/dbraw/zinc/91/66/23/706916623.db2.gz BKTNPMHYXUSHSP-OFLPRAFFSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2C)C1 ZINC000999506811 707004363 /nfs/dbraw/zinc/00/43/63/707004363.db2.gz RYTZYZVKPBGZRK-UYSNPLJNSA-N 2 1 348.495 1.157 20 0 EDADMP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000999513372 707012257 /nfs/dbraw/zinc/01/22/57/707012257.db2.gz SKGNONXBINGKCZ-SJORKVTESA-N 2 1 333.480 1.468 20 0 EDADMP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000999689309 707244320 /nfs/dbraw/zinc/24/43/20/707244320.db2.gz RLHHAGPVHNMEJO-FAEJEUNOSA-N 2 1 347.507 1.366 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2cnccc2C)C1 ZINC000999713654 707251740 /nfs/dbraw/zinc/25/17/40/707251740.db2.gz LZXRRGRXRFUJBJ-KRWDZBQOSA-N 2 1 327.432 1.676 20 0 EDADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999793377 707364586 /nfs/dbraw/zinc/36/45/86/707364586.db2.gz QKJHYFQUOWBEIF-AEFFLSMTSA-N 2 1 343.475 1.432 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]Cc2cnc(C)o2)C[C@@H]1C ZINC001044679759 707395635 /nfs/dbraw/zinc/39/56/35/707395635.db2.gz BNALILMJEWFTMX-SWLSCSKDSA-N 2 1 331.420 1.657 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296287 707405899 /nfs/dbraw/zinc/40/58/99/707405899.db2.gz SHRGPSPGFIPXNS-AEFFLSMTSA-N 2 1 346.475 1.890 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296287 707405901 /nfs/dbraw/zinc/40/59/01/707405901.db2.gz SHRGPSPGFIPXNS-AEFFLSMTSA-N 2 1 346.475 1.890 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)[nH]1 ZINC000999788966 707406049 /nfs/dbraw/zinc/40/60/49/707406049.db2.gz DXWMFCCPTDBPDL-DOTOQJQBSA-N 2 1 346.479 1.068 20 0 EDADMP CC(C)=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001033297082 707410769 /nfs/dbraw/zinc/41/07/69/707410769.db2.gz GGPTVVHVWOXEFK-OALUTQOASA-N 2 1 349.519 1.986 20 0 EDADMP Cc1ncsc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033197571 707416413 /nfs/dbraw/zinc/41/64/13/707416413.db2.gz INRKRAHYGQKFJU-HUUCEWRRSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033197571 707416417 /nfs/dbraw/zinc/41/64/17/707416417.db2.gz INRKRAHYGQKFJU-HUUCEWRRSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033197571 707416419 /nfs/dbraw/zinc/41/64/19/707416419.db2.gz INRKRAHYGQKFJU-HUUCEWRRSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033197571 707416422 /nfs/dbraw/zinc/41/64/22/707416422.db2.gz INRKRAHYGQKFJU-HUUCEWRRSA-N 2 1 336.505 1.969 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC(C)(C)C)C2)O1 ZINC001033198924 707464377 /nfs/dbraw/zinc/46/43/77/707464377.db2.gz ZUHZPESSHSPNNC-BZUAXINKSA-N 2 1 325.497 1.674 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC(C)(C)C)C2)O1 ZINC001033198924 707464382 /nfs/dbraw/zinc/46/43/82/707464382.db2.gz ZUHZPESSHSPNNC-BZUAXINKSA-N 2 1 325.497 1.674 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC(C)(C)C)C2)O1 ZINC001033198924 707464386 /nfs/dbraw/zinc/46/43/86/707464386.db2.gz ZUHZPESSHSPNNC-BZUAXINKSA-N 2 1 325.497 1.674 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)O1 ZINC001033198924 707464389 /nfs/dbraw/zinc/46/43/89/707464389.db2.gz ZUHZPESSHSPNNC-BZUAXINKSA-N 2 1 325.497 1.674 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033326379 707537390 /nfs/dbraw/zinc/53/73/90/707537390.db2.gz OYADFIZUFXSBQA-RCCFBDPRSA-N 2 1 331.460 1.347 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001033326379 707537394 /nfs/dbraw/zinc/53/73/94/707537394.db2.gz OYADFIZUFXSBQA-RCCFBDPRSA-N 2 1 331.460 1.347 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001033326379 707537397 /nfs/dbraw/zinc/53/73/97/707537397.db2.gz OYADFIZUFXSBQA-RCCFBDPRSA-N 2 1 331.460 1.347 20 0 EDADMP Cc1nonc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004874352 707537836 /nfs/dbraw/zinc/53/78/36/707537836.db2.gz CLYOTEOFAJDSLF-RHSMWYFYSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1nonc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004874352 707537839 /nfs/dbraw/zinc/53/78/39/707537839.db2.gz CLYOTEOFAJDSLF-RHSMWYFYSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CCOCC1 ZINC001004903544 707594686 /nfs/dbraw/zinc/59/46/86/707594686.db2.gz WFXBWLXNULHCFF-FUHWJXTLSA-N 2 1 348.491 1.977 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](NCc3cnsn3)C2)CC[N@H+]1C ZINC001000022209 707688717 /nfs/dbraw/zinc/68/87/17/707688717.db2.gz XQKXAYDBVPERCR-MELADBBJSA-N 2 1 337.493 1.349 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033372092 707707726 /nfs/dbraw/zinc/70/77/26/707707726.db2.gz CGFYBCFPYOIHSL-KRWDZBQOSA-N 2 1 349.475 1.914 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033372092 707707728 /nfs/dbraw/zinc/70/77/28/707707728.db2.gz CGFYBCFPYOIHSL-KRWDZBQOSA-N 2 1 349.475 1.914 20 0 EDADMP Cc1nc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)cs1 ZINC001032733742 707740853 /nfs/dbraw/zinc/74/08/53/707740853.db2.gz IWQDEPIINWBMQD-HOTGVXAUSA-N 2 1 346.500 1.375 20 0 EDADMP Cc1nc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)cs1 ZINC001032733742 707740856 /nfs/dbraw/zinc/74/08/56/707740856.db2.gz IWQDEPIINWBMQD-HOTGVXAUSA-N 2 1 346.500 1.375 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033417917 707801863 /nfs/dbraw/zinc/80/18/63/707801863.db2.gz BFFWCJRROJLXQQ-CJNGLKHVSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033417917 707801864 /nfs/dbraw/zinc/80/18/64/707801864.db2.gz BFFWCJRROJLXQQ-CJNGLKHVSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033417917 707801866 /nfs/dbraw/zinc/80/18/66/707801866.db2.gz BFFWCJRROJLXQQ-CJNGLKHVSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033417917 707801874 /nfs/dbraw/zinc/80/18/74/707801874.db2.gz BFFWCJRROJLXQQ-CJNGLKHVSA-N 2 1 334.464 1.666 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001033474615 707963920 /nfs/dbraw/zinc/96/39/20/707963920.db2.gz ITPCROWPRYGKHT-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CC[C@H](F)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490331 707984593 /nfs/dbraw/zinc/98/45/93/707984593.db2.gz PVTGXKFAGJLCSK-HOTGVXAUSA-N 2 1 339.459 1.339 20 0 EDADMP CC[C@H](F)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490331 707984598 /nfs/dbraw/zinc/98/45/98/707984598.db2.gz PVTGXKFAGJLCSK-HOTGVXAUSA-N 2 1 339.459 1.339 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001032785076 707989632 /nfs/dbraw/zinc/98/96/32/707989632.db2.gz VOOPARMIVZJTRQ-ULQDDVLXSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032785076 707989633 /nfs/dbraw/zinc/98/96/33/707989633.db2.gz VOOPARMIVZJTRQ-ULQDDVLXSA-N 2 1 337.508 1.676 20 0 EDADMP Cc1nc(CC[NH+]2CC=C(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)cs1 ZINC001000521770 708039714 /nfs/dbraw/zinc/03/97/14/708039714.db2.gz NVENNQQJMIHIKJ-KRWDZBQOSA-N 2 1 348.516 1.837 20 0 EDADMP Cc1nc(CC[N@H+]2CC=C(CNC(=O)[C@@H]3CCC[NH+]3C)CC2)cs1 ZINC001000521770 708039717 /nfs/dbraw/zinc/03/97/17/708039717.db2.gz NVENNQQJMIHIKJ-KRWDZBQOSA-N 2 1 348.516 1.837 20 0 EDADMP Cc1nc(CC[N@@H+]2CC=C(CNC(=O)[C@@H]3CCC[NH+]3C)CC2)cs1 ZINC001000521770 708039718 /nfs/dbraw/zinc/03/97/18/708039718.db2.gz NVENNQQJMIHIKJ-KRWDZBQOSA-N 2 1 348.516 1.837 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033551222 708186055 /nfs/dbraw/zinc/18/60/55/708186055.db2.gz LRAQXOIEXURHJI-WBVHZDCISA-N 2 1 325.497 1.674 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)s1 ZINC001033580707 708261588 /nfs/dbraw/zinc/26/15/88/708261588.db2.gz HLDSXKGHVJQWON-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)s1 ZINC001033580707 708261591 /nfs/dbraw/zinc/26/15/91/708261591.db2.gz HLDSXKGHVJQWON-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)s1 ZINC001033580707 708261593 /nfs/dbraw/zinc/26/15/93/708261593.db2.gz HLDSXKGHVJQWON-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)s1 ZINC001033580707 708261595 /nfs/dbraw/zinc/26/15/95/708261595.db2.gz HLDSXKGHVJQWON-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033580718 708261765 /nfs/dbraw/zinc/26/17/65/708261765.db2.gz HOCYETIPLQGDQY-OALUTQOASA-N 2 1 345.487 1.553 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033580718 708261767 /nfs/dbraw/zinc/26/17/67/708261767.db2.gz HOCYETIPLQGDQY-OALUTQOASA-N 2 1 345.487 1.553 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033580718 708261769 /nfs/dbraw/zinc/26/17/69/708261769.db2.gz HOCYETIPLQGDQY-OALUTQOASA-N 2 1 345.487 1.553 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001033582785 708266435 /nfs/dbraw/zinc/26/64/35/708266435.db2.gz QVCRNRXCUYIHQB-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001033582785 708266437 /nfs/dbraw/zinc/26/64/37/708266437.db2.gz QVCRNRXCUYIHQB-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033582785 708266438 /nfs/dbraw/zinc/26/64/38/708266438.db2.gz QVCRNRXCUYIHQB-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033582785 708266440 /nfs/dbraw/zinc/26/64/40/708266440.db2.gz QVCRNRXCUYIHQB-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC[C@@H](C)F)CC2)C1 ZINC001001755999 708279271 /nfs/dbraw/zinc/27/92/71/708279271.db2.gz AXKDTESALKVXNP-WBVHZDCISA-N 2 1 343.487 1.672 20 0 EDADMP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC001001824447 708327151 /nfs/dbraw/zinc/32/71/51/708327151.db2.gz HIVJQQCWTUGINJ-KSSFIOAISA-N 2 1 345.491 1.311 20 0 EDADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033665947 708449809 /nfs/dbraw/zinc/44/98/09/708449809.db2.gz SKDCURPYSQMLKU-ZWKOTPCHSA-N 2 1 344.503 1.737 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033665947 708449811 /nfs/dbraw/zinc/44/98/11/708449811.db2.gz SKDCURPYSQMLKU-ZWKOTPCHSA-N 2 1 344.503 1.737 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033665947 708449813 /nfs/dbraw/zinc/44/98/13/708449813.db2.gz SKDCURPYSQMLKU-ZWKOTPCHSA-N 2 1 344.503 1.737 20 0 EDADMP Cc1noc(CCC[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001033659156 708470256 /nfs/dbraw/zinc/47/02/56/708470256.db2.gz VOLJNKHCIVIDCS-HNNXBMFYSA-N 2 1 346.435 1.048 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001033659156 708470257 /nfs/dbraw/zinc/47/02/57/708470257.db2.gz VOLJNKHCIVIDCS-HNNXBMFYSA-N 2 1 346.435 1.048 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC001033661885 708475581 /nfs/dbraw/zinc/47/55/81/708475581.db2.gz NAADUVUZSMWNLZ-SJORKVTESA-N 2 1 333.451 1.853 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCc2ccccc2F)C1 ZINC001033661885 708475583 /nfs/dbraw/zinc/47/55/83/708475583.db2.gz NAADUVUZSMWNLZ-SJORKVTESA-N 2 1 333.451 1.853 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCc2ccccc2F)C1 ZINC001033661885 708475584 /nfs/dbraw/zinc/47/55/84/708475584.db2.gz NAADUVUZSMWNLZ-SJORKVTESA-N 2 1 333.451 1.853 20 0 EDADMP Cc1noc(CCC[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001002120242 708633928 /nfs/dbraw/zinc/63/39/28/708633928.db2.gz INIFICXYPPXNKO-MRXNPFEDSA-N 2 1 349.479 1.091 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC001033773421 708671311 /nfs/dbraw/zinc/67/13/11/708671311.db2.gz FFGMXHZRLIAWGG-ZWKOTPCHSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cnccc2C)C1 ZINC001033773421 708671314 /nfs/dbraw/zinc/67/13/14/708671314.db2.gz FFGMXHZRLIAWGG-ZWKOTPCHSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cnccc2C)C1 ZINC001033773421 708671316 /nfs/dbraw/zinc/67/13/16/708671316.db2.gz FFGMXHZRLIAWGG-ZWKOTPCHSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001033773427 708671684 /nfs/dbraw/zinc/67/16/84/708671684.db2.gz FHOJWQZRKNSERH-SJORKVTESA-N 2 1 333.480 1.246 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001033773427 708671686 /nfs/dbraw/zinc/67/16/86/708671686.db2.gz FHOJWQZRKNSERH-SJORKVTESA-N 2 1 333.480 1.246 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033773427 708671689 /nfs/dbraw/zinc/67/16/89/708671689.db2.gz FHOJWQZRKNSERH-SJORKVTESA-N 2 1 333.480 1.246 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033773427 708671691 /nfs/dbraw/zinc/67/16/91/708671691.db2.gz FHOJWQZRKNSERH-SJORKVTESA-N 2 1 333.480 1.246 20 0 EDADMP Cc1ccc(NCCNS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)nc1 ZINC000921873461 708755111 /nfs/dbraw/zinc/75/51/11/708755111.db2.gz SMOVMQWGTJVWMX-INIZCTEOSA-N 2 1 338.477 1.207 20 0 EDADMP Cc1ccc(NCCNS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)[nH+]c1 ZINC000921873461 708755114 /nfs/dbraw/zinc/75/51/14/708755114.db2.gz SMOVMQWGTJVWMX-INIZCTEOSA-N 2 1 338.477 1.207 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000921884238 708787403 /nfs/dbraw/zinc/78/74/03/708787403.db2.gz KDUOVFLCCSVAEE-ZTFGCOKTSA-N 2 1 346.475 1.145 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000921884238 708787404 /nfs/dbraw/zinc/78/74/04/708787404.db2.gz KDUOVFLCCSVAEE-ZTFGCOKTSA-N 2 1 346.475 1.145 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000921884238 708787406 /nfs/dbraw/zinc/78/74/06/708787406.db2.gz KDUOVFLCCSVAEE-ZTFGCOKTSA-N 2 1 346.475 1.145 20 0 EDADMP CC1CCC(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001002536619 709094163 /nfs/dbraw/zinc/09/41/63/709094163.db2.gz TXFVNAMOHLTUAX-HTWSVDAQSA-N 2 1 337.508 1.724 20 0 EDADMP CC1CCC(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001002536619 709094165 /nfs/dbraw/zinc/09/41/65/709094165.db2.gz TXFVNAMOHLTUAX-HTWSVDAQSA-N 2 1 337.508 1.724 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001033942355 709149486 /nfs/dbraw/zinc/14/94/86/709149486.db2.gz ZTJIGAOAFNSXCO-SFHVURJKSA-N 2 1 345.491 1.550 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001033942355 709149488 /nfs/dbraw/zinc/14/94/88/709149488.db2.gz ZTJIGAOAFNSXCO-SFHVURJKSA-N 2 1 345.491 1.550 20 0 EDADMP CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C1CC[NH+](CCO)CC1)C2 ZINC000701857284 709194093 /nfs/dbraw/zinc/19/40/93/709194093.db2.gz VSTIZIDUAJSSRE-UHFFFAOYSA-N 2 1 339.480 1.432 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC001034015499 709231958 /nfs/dbraw/zinc/23/19/58/709231958.db2.gz HOURARSOTIQMGC-AWEZNQCLSA-N 2 1 334.489 1.662 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001034015499 709231961 /nfs/dbraw/zinc/23/19/61/709231961.db2.gz HOURARSOTIQMGC-AWEZNQCLSA-N 2 1 334.489 1.662 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC001034037790 709270018 /nfs/dbraw/zinc/27/00/18/709270018.db2.gz FMEHWUFAZODQNN-HUUCEWRRSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cnc(C)s2)C1 ZINC001034037790 709270021 /nfs/dbraw/zinc/27/00/21/709270021.db2.gz FMEHWUFAZODQNN-HUUCEWRRSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cnc(C)s2)C1 ZINC001034037790 709270023 /nfs/dbraw/zinc/27/00/23/709270023.db2.gz FMEHWUFAZODQNN-HUUCEWRRSA-N 2 1 336.505 1.826 20 0 EDADMP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005499039 709275281 /nfs/dbraw/zinc/27/52/81/709275281.db2.gz XHAHGZCOGANXPK-IAGOWNOFSA-N 2 1 339.524 1.922 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccnc(OC)c2)C1 ZINC001034043461 709294641 /nfs/dbraw/zinc/29/46/41/709294641.db2.gz VBFIJTSORNJZPA-IAGOWNOFSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccnc(OC)c2)C1 ZINC001034043461 709294643 /nfs/dbraw/zinc/29/46/43/709294643.db2.gz VBFIJTSORNJZPA-IAGOWNOFSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccnc(OC)c2)C1 ZINC001034043461 709294645 /nfs/dbraw/zinc/29/46/45/709294645.db2.gz VBFIJTSORNJZPA-IAGOWNOFSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccnc(OC)c2)C1 ZINC001034043461 709294647 /nfs/dbraw/zinc/29/46/47/709294647.db2.gz VBFIJTSORNJZPA-IAGOWNOFSA-N 2 1 346.475 1.465 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001005504547 709334412 /nfs/dbraw/zinc/33/44/12/709334412.db2.gz VCJRKQGBHKKTAI-GDBMZVCRSA-N 2 1 338.496 1.046 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001005504547 709334414 /nfs/dbraw/zinc/33/44/14/709334414.db2.gz VCJRKQGBHKKTAI-GDBMZVCRSA-N 2 1 338.496 1.046 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001002790874 709398428 /nfs/dbraw/zinc/39/84/28/709398428.db2.gz BDMXKADSSZULNK-WMZOPIPTSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CCO)CC2)C1 ZINC000948711024 709402793 /nfs/dbraw/zinc/40/27/93/709402793.db2.gz KHHFAWFYUYJSTF-SJORKVTESA-N 2 1 325.497 1.414 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](CCO)CC2)C1 ZINC000948711024 709402795 /nfs/dbraw/zinc/40/27/95/709402795.db2.gz KHHFAWFYUYJSTF-SJORKVTESA-N 2 1 325.497 1.414 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](CCO)CC2)C1 ZINC000948711024 709402797 /nfs/dbraw/zinc/40/27/97/709402797.db2.gz KHHFAWFYUYJSTF-SJORKVTESA-N 2 1 325.497 1.414 20 0 EDADMP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000702403846 709553261 /nfs/dbraw/zinc/55/32/61/709553261.db2.gz WKSRLCOGKGMXPV-MSOLQXFVSA-N 2 1 344.503 1.294 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CCOC2CCC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034210290 709560190 /nfs/dbraw/zinc/56/01/90/709560190.db2.gz GKBLXAAFHGKZIF-IEBWSBKVSA-N 2 1 349.519 1.868 20 0 EDADMP CCc1nc(N(C)[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc(C)[nH+]1 ZINC001061213953 709737601 /nfs/dbraw/zinc/73/76/01/709737601.db2.gz JNCMNVVGWUNHQD-JKSUJKDBSA-N 2 1 345.491 1.726 20 0 EDADMP CCc1nc(N(C)[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc(C)[nH+]1 ZINC001061213953 709737604 /nfs/dbraw/zinc/73/76/04/709737604.db2.gz JNCMNVVGWUNHQD-JKSUJKDBSA-N 2 1 345.491 1.726 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001034310050 709752679 /nfs/dbraw/zinc/75/26/79/709752679.db2.gz SIEIURGLKACFJS-IAGOWNOFSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001034310050 709752682 /nfs/dbraw/zinc/75/26/82/709752682.db2.gz SIEIURGLKACFJS-IAGOWNOFSA-N 2 1 348.491 1.977 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCc2ccnn2C)C1 ZINC001034395542 709929010 /nfs/dbraw/zinc/92/90/10/709929010.db2.gz AAZFLMZULYGYAA-IAGOWNOFSA-N 2 1 347.507 1.418 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CCc2ccnn2C)C1 ZINC001034395542 709929012 /nfs/dbraw/zinc/92/90/12/709929012.db2.gz AAZFLMZULYGYAA-IAGOWNOFSA-N 2 1 347.507 1.418 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CCc2ccnn2C)C1 ZINC001034395542 709929013 /nfs/dbraw/zinc/92/90/13/709929013.db2.gz AAZFLMZULYGYAA-IAGOWNOFSA-N 2 1 347.507 1.418 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)C34CCC[NH+](CCC3)C4)CC2)o1 ZINC001003134674 710020166 /nfs/dbraw/zinc/02/01/66/710020166.db2.gz QZXNPMAAVQMRSE-UHFFFAOYSA-N 2 1 346.475 1.940 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](Cc3ccccn3)C2)C1 ZINC001034491588 710111701 /nfs/dbraw/zinc/11/17/01/710111701.db2.gz VTUCXJCMWSJRRR-AEFFLSMTSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@H+](Cc3ccccn3)C2)C1 ZINC001034491588 710111704 /nfs/dbraw/zinc/11/17/04/710111704.db2.gz VTUCXJCMWSJRRR-AEFFLSMTSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@@H+](Cc3ccccn3)C2)C1 ZINC001034491588 710111705 /nfs/dbraw/zinc/11/17/05/710111705.db2.gz VTUCXJCMWSJRRR-AEFFLSMTSA-N 2 1 330.476 1.894 20 0 EDADMP CCc1cc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001061757142 710196060 /nfs/dbraw/zinc/19/60/60/710196060.db2.gz GCVVESRUPXZJGB-FRFSOERESA-N 2 1 345.491 1.630 20 0 EDADMP CCc1cc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001061757142 710196062 /nfs/dbraw/zinc/19/60/62/710196062.db2.gz GCVVESRUPXZJGB-FRFSOERESA-N 2 1 345.491 1.630 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](CCO)C2)o1 ZINC001034545770 710219319 /nfs/dbraw/zinc/21/93/19/710219319.db2.gz XMWMQFHRKUOIGU-HNNXBMFYSA-N 2 1 337.464 1.698 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001003318569 710247199 /nfs/dbraw/zinc/24/71/99/710247199.db2.gz LPJIEDPHPCJNGB-HZPDHXFCSA-N 2 1 334.464 1.587 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)nn1 ZINC001034611578 710286024 /nfs/dbraw/zinc/28/60/24/710286024.db2.gz LPYBIIKIEQZHQV-IIAWOOMASA-N 2 1 347.463 1.096 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001034614736 710289776 /nfs/dbraw/zinc/28/97/76/710289776.db2.gz VOHPYUSGJGHJOY-BZSNNMDCSA-N 2 1 346.475 1.238 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001034614736 710289777 /nfs/dbraw/zinc/28/97/77/710289777.db2.gz VOHPYUSGJGHJOY-BZSNNMDCSA-N 2 1 346.475 1.238 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)C(C)(C)[NH+]3CCCC3)CC2)o1 ZINC001003424110 710339374 /nfs/dbraw/zinc/33/93/74/710339374.db2.gz PLEGQIXCVPPGAP-UHFFFAOYSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001003492320 710375167 /nfs/dbraw/zinc/37/51/67/710375167.db2.gz GHGXKOWWJAWZEW-MAUKXSAKSA-N 2 1 337.508 1.745 20 0 EDADMP O=C(NC1CC[NH+](C[C@@H]2CCCOC2)CC1)[C@@H]1CCCc2[nH]cnc21 ZINC001003606470 710446728 /nfs/dbraw/zinc/44/67/28/710446728.db2.gz MOHGVVAPUYWHRB-GOEBONIOSA-N 2 1 346.475 1.837 20 0 EDADMP COc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)ccn1 ZINC001003624334 710453550 /nfs/dbraw/zinc/45/35/50/710453550.db2.gz OKZVTHNSFLHRMH-OAHLLOKOSA-N 2 1 346.475 1.655 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001003625415 710454592 /nfs/dbraw/zinc/45/45/92/710454592.db2.gz FYEYFQHZQQXYOY-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001003625415 710454593 /nfs/dbraw/zinc/45/45/93/710454593.db2.gz FYEYFQHZQQXYOY-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)s1 ZINC001003626947 710457080 /nfs/dbraw/zinc/45/70/80/710457080.db2.gz YFKCUEOQKRMGFQ-CYBMUJFWSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1C ZINC001003632763 710461143 /nfs/dbraw/zinc/46/11/43/710461143.db2.gz CHLAGQMUUPKKAB-GUYCJALGSA-N 2 1 333.480 1.007 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1C ZINC001003632763 710461144 /nfs/dbraw/zinc/46/11/44/710461144.db2.gz CHLAGQMUUPKKAB-GUYCJALGSA-N 2 1 333.480 1.007 20 0 EDADMP CCc1nocc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003636937 710466686 /nfs/dbraw/zinc/46/66/86/710466686.db2.gz YTAOSWOUFSZWFH-BBRMVZONSA-N 2 1 334.464 1.515 20 0 EDADMP CCn1nncc1C[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003744225 710526246 /nfs/dbraw/zinc/52/62/46/710526246.db2.gz AYTOFJYQFLRJAR-UHFFFAOYSA-N 2 1 348.495 1.111 20 0 EDADMP Cc1nocc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001005593132 710641278 /nfs/dbraw/zinc/64/12/78/710641278.db2.gz QWEIVLZBGFFAAI-KRWDZBQOSA-N 2 1 334.464 1.890 20 0 EDADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032944469 710921115 /nfs/dbraw/zinc/92/11/15/710921115.db2.gz KYPIJABTNUNJOM-MJGOQNOKSA-N 2 1 344.503 1.880 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032944469 710921118 /nfs/dbraw/zinc/92/11/18/710921118.db2.gz KYPIJABTNUNJOM-MJGOQNOKSA-N 2 1 344.503 1.880 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032944469 710921119 /nfs/dbraw/zinc/92/11/19/710921119.db2.gz KYPIJABTNUNJOM-MJGOQNOKSA-N 2 1 344.503 1.880 20 0 EDADMP Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC001034738831 710931804 /nfs/dbraw/zinc/93/18/04/710931804.db2.gz VYFJKWUBZUHITM-SDADXPQNSA-N 2 1 349.479 1.940 20 0 EDADMP Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001034738831 710931808 /nfs/dbraw/zinc/93/18/08/710931808.db2.gz VYFJKWUBZUHITM-SDADXPQNSA-N 2 1 349.479 1.940 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032959904 710994463 /nfs/dbraw/zinc/99/44/63/710994463.db2.gz KLYBGOFEQJNICQ-ZWKOTPCHSA-N 2 1 347.507 1.899 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032959904 710994468 /nfs/dbraw/zinc/99/44/68/710994468.db2.gz KLYBGOFEQJNICQ-ZWKOTPCHSA-N 2 1 347.507 1.899 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032959904 710994474 /nfs/dbraw/zinc/99/44/74/710994474.db2.gz KLYBGOFEQJNICQ-ZWKOTPCHSA-N 2 1 347.507 1.899 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032959904 710994478 /nfs/dbraw/zinc/99/44/78/710994478.db2.gz KLYBGOFEQJNICQ-ZWKOTPCHSA-N 2 1 347.507 1.899 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c(C)n1 ZINC001032967233 711027098 /nfs/dbraw/zinc/02/70/98/711027098.db2.gz HRFCQEVWPREKJF-QZTJIDSGSA-N 2 1 330.476 1.825 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)c(C)n1 ZINC001032967233 711027105 /nfs/dbraw/zinc/02/71/05/711027105.db2.gz HRFCQEVWPREKJF-QZTJIDSGSA-N 2 1 330.476 1.825 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c(C)n1 ZINC001032967233 711027110 /nfs/dbraw/zinc/02/71/10/711027110.db2.gz HRFCQEVWPREKJF-QZTJIDSGSA-N 2 1 330.476 1.825 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)co1 ZINC001034775499 711049587 /nfs/dbraw/zinc/04/95/87/711049587.db2.gz AZDBHFOQACLOEG-JYJNAYRXSA-N 2 1 334.464 1.842 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCOCC3)CC2)C1 ZINC001034776009 711050932 /nfs/dbraw/zinc/05/09/32/711050932.db2.gz NJZZHBPOLMKWLZ-BZSNNMDCSA-N 2 1 337.508 1.772 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnns3)CC2)C1 ZINC001034776642 711053051 /nfs/dbraw/zinc/05/30/51/711053051.db2.gz VVLLOGQGIVCKPJ-MGPQQGTHSA-N 2 1 337.493 1.397 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001034778570 711081174 /nfs/dbraw/zinc/08/11/74/711081174.db2.gz VUIWBUCFJICDQX-HDJSIYSDSA-N 2 1 347.463 1.245 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3csnn3)CC2)C1 ZINC001034779433 711086071 /nfs/dbraw/zinc/08/60/71/711086071.db2.gz UXXYOLQTVDGZBL-IHRRRGAJSA-N 2 1 337.493 1.397 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3csnn3)CC2)C1 ZINC001034779433 711086074 /nfs/dbraw/zinc/08/60/74/711086074.db2.gz UXXYOLQTVDGZBL-IHRRRGAJSA-N 2 1 337.493 1.397 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000922335612 711086418 /nfs/dbraw/zinc/08/64/18/711086418.db2.gz SQINCYSHSFYSGB-HKUYNNGSSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000922335612 711086421 /nfs/dbraw/zinc/08/64/21/711086421.db2.gz SQINCYSHSFYSGB-HKUYNNGSSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000922335612 711086424 /nfs/dbraw/zinc/08/64/24/711086424.db2.gz SQINCYSHSFYSGB-HKUYNNGSSA-N 2 1 330.476 1.902 20 0 EDADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)c1 ZINC001032977471 711093602 /nfs/dbraw/zinc/09/36/02/711093602.db2.gz UAGYWVWQHWVAEO-MOPGFXCFSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)c1 ZINC001032977471 711093606 /nfs/dbraw/zinc/09/36/06/711093606.db2.gz UAGYWVWQHWVAEO-MOPGFXCFSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1ccc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC001032977471 711093609 /nfs/dbraw/zinc/09/36/09/711093609.db2.gz UAGYWVWQHWVAEO-MOPGFXCFSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1ccc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001032977471 711093611 /nfs/dbraw/zinc/09/36/11/711093611.db2.gz UAGYWVWQHWVAEO-MOPGFXCFSA-N 2 1 345.487 1.667 20 0 EDADMP Cn1nncc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003966470 711103920 /nfs/dbraw/zinc/10/39/20/711103920.db2.gz CHKDVBUJCKUWQE-GDBMZVCRSA-N 2 1 348.495 1.016 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001034795471 711113415 /nfs/dbraw/zinc/11/34/15/711113415.db2.gz HYLUHACTHOPJRV-BZUAXINKSA-N 2 1 348.495 1.505 20 0 EDADMP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001034792151 711118750 /nfs/dbraw/zinc/11/87/50/711118750.db2.gz GFMZAWJDVVNYMM-ATGSNQNLSA-N 2 1 334.468 1.143 20 0 EDADMP Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001034792401 711119600 /nfs/dbraw/zinc/11/96/00/711119600.db2.gz IVKCJHAZJVZWRC-YVSFHVDLSA-N 2 1 345.491 1.815 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CC[C@H]3CCCCO3)CC2)C1 ZINC001003977759 711150767 /nfs/dbraw/zinc/15/07/67/711150767.db2.gz XDOZIJMLACOARK-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001003976288 711175310 /nfs/dbraw/zinc/17/53/10/711175310.db2.gz PQHBIRFVCHNRJQ-NVXWUHKLSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc2nonc2c1 ZINC001034885270 711289629 /nfs/dbraw/zinc/28/96/29/711289629.db2.gz RTVYCJNHSDPZIB-RHSMWYFYSA-N 2 1 343.431 1.398 20 0 EDADMP CCCn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001034958523 711432258 /nfs/dbraw/zinc/43/22/58/711432258.db2.gz JWUVXVFZZLQHJW-NVXWUHKLSA-N 2 1 348.495 1.109 20 0 EDADMP Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)C(C)(C)[NH+]2CCCCC2)nn1 ZINC001034938505 711440072 /nfs/dbraw/zinc/44/00/72/711440072.db2.gz PLVXMFUTHNHNPX-MRXNPFEDSA-N 2 1 348.495 1.160 20 0 EDADMP Cc1ccncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001034971048 711451134 /nfs/dbraw/zinc/45/11/34/711451134.db2.gz BNFAXLDJDADCNT-KBAYOESNSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1ccncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001034971048 711451136 /nfs/dbraw/zinc/45/11/36/711451136.db2.gz BNFAXLDJDADCNT-KBAYOESNSA-N 2 1 346.475 1.190 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc3oc(=O)oc3c1)C2 ZINC000922391210 711456059 /nfs/dbraw/zinc/45/60/59/711456059.db2.gz URHSJNFLSSDUIF-BCXHYRKLSA-N 2 1 346.427 1.955 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001004149925 711564475 /nfs/dbraw/zinc/56/44/75/711564475.db2.gz NXEFDPKAHGPWSH-AWEZNQCLSA-N 2 1 334.464 1.578 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)N[C@@H](C)C[NH+](C)C)C2)[C@@H]1C(C)C ZINC000922482774 711610002 /nfs/dbraw/zinc/61/00/02/711610002.db2.gz KFTRHJMDFFEYMA-VNIVASGNSA-N 2 1 340.512 1.106 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3cncc(C)c3)CC2)C1 ZINC001004184035 711625796 /nfs/dbraw/zinc/62/57/96/711625796.db2.gz BLWBJGJDEICKKU-SFHVURJKSA-N 2 1 346.475 1.191 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3cncc(C)c3)CC2)C1 ZINC001004184035 711625799 /nfs/dbraw/zinc/62/57/99/711625799.db2.gz BLWBJGJDEICKKU-SFHVURJKSA-N 2 1 346.475 1.191 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2conc2C)C1 ZINC001033127552 711877838 /nfs/dbraw/zinc/87/78/38/711877838.db2.gz VSOOWKBTDKZRKC-SJORKVTESA-N 2 1 334.464 1.890 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2conc2C)C1 ZINC001033127552 711877839 /nfs/dbraw/zinc/87/78/39/711877839.db2.gz VSOOWKBTDKZRKC-SJORKVTESA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2conc2C)C1 ZINC001033127552 711877840 /nfs/dbraw/zinc/87/78/40/711877840.db2.gz VSOOWKBTDKZRKC-SJORKVTESA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2conc2C)C1 ZINC001033127552 711877842 /nfs/dbraw/zinc/87/78/42/711877842.db2.gz VSOOWKBTDKZRKC-SJORKVTESA-N 2 1 334.464 1.890 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]2CC1 ZINC000946645334 712134401 /nfs/dbraw/zinc/13/44/01/712134401.db2.gz RRDDCRKPJQAKAF-JZXOWHBKSA-N 2 1 346.475 1.829 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]2CC1 ZINC000946678044 712369928 /nfs/dbraw/zinc/36/99/28/712369928.db2.gz SUTCTTSEKLQLCV-IYBDPMFKSA-N 2 1 343.431 1.550 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]2CC1 ZINC000946678044 712369930 /nfs/dbraw/zinc/36/99/30/712369930.db2.gz SUTCTTSEKLQLCV-IYBDPMFKSA-N 2 1 343.431 1.550 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000362945500 282150236 /nfs/dbraw/zinc/15/02/36/282150236.db2.gz SOZZYWVNNRWXME-QGZVFWFLSA-N 2 1 333.476 1.715 20 0 EDADMP Cc1n[nH]cc1C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000558421775 306238097 /nfs/dbraw/zinc/23/80/97/306238097.db2.gz AQNQYVYXHXUAQM-GASCZTMLSA-N 2 1 336.480 1.808 20 0 EDADMP Cc1n[nH]cc1C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000558421775 306238098 /nfs/dbraw/zinc/23/80/98/306238098.db2.gz AQNQYVYXHXUAQM-GASCZTMLSA-N 2 1 336.480 1.808 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@]1([NH+](C)C)CCCSC1)c1ccco1 ZINC000372253640 282179339 /nfs/dbraw/zinc/17/93/39/282179339.db2.gz AAYFLWANGDOJMT-BBRMVZONSA-N 2 1 325.478 1.826 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000167308716 529999926 /nfs/dbraw/zinc/99/99/26/529999926.db2.gz VWRFCZBPFLXRTK-IBGZPJMESA-N 2 1 345.487 1.736 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000350167900 282388670 /nfs/dbraw/zinc/38/86/70/282388670.db2.gz XPRBFYCDLOVUCM-KRWDZBQOSA-N 2 1 348.535 1.393 20 0 EDADMP CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093899738 539525691 /nfs/dbraw/zinc/52/56/91/539525691.db2.gz YXCLDDNSLWNPOI-INIZCTEOSA-N 2 1 333.476 1.975 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)C[C@H](C)O1 ZINC000560598542 306275490 /nfs/dbraw/zinc/27/54/90/306275490.db2.gz UWMVFTPFWIMQMN-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP CN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000560747010 306278507 /nfs/dbraw/zinc/27/85/07/306278507.db2.gz JDUZTOFADZPRPO-SJORKVTESA-N 2 1 337.533 1.899 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@@H](C)C1 ZINC000332832703 539608382 /nfs/dbraw/zinc/60/83/82/539608382.db2.gz AZSAVZAWXSOOAP-YQQAZPJKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@@H](C)C1 ZINC000332832703 539608386 /nfs/dbraw/zinc/60/83/86/539608386.db2.gz AZSAVZAWXSOOAP-YQQAZPJKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@@H](C)C1 ZINC000332832703 539608389 /nfs/dbraw/zinc/60/83/89/539608389.db2.gz AZSAVZAWXSOOAP-YQQAZPJKSA-N 2 1 338.496 1.100 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000561157989 306283278 /nfs/dbraw/zinc/28/32/78/306283278.db2.gz JOKFLIRRSAJJEB-FPCLHWOWSA-N 2 1 340.471 1.699 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000561165583 306283537 /nfs/dbraw/zinc/28/35/37/306283537.db2.gz JCYJZDUOVPBESG-NEWSRXKRSA-N 2 1 344.503 1.930 20 0 EDADMP O=S(=O)(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)NCc1ccccc1 ZINC000246785115 539654848 /nfs/dbraw/zinc/65/48/48/539654848.db2.gz PIKLMBGHRWKKAS-SJORKVTESA-N 2 1 337.489 1.322 20 0 EDADMP O=S(=O)(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)NCc1ccccc1 ZINC000246785115 539654856 /nfs/dbraw/zinc/65/48/56/539654856.db2.gz PIKLMBGHRWKKAS-SJORKVTESA-N 2 1 337.489 1.322 20 0 EDADMP C[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)C[NH+]1CCOCC1 ZINC000561259592 306285885 /nfs/dbraw/zinc/28/58/85/306285885.db2.gz SHVDRCSQIHTIPA-INIZCTEOSA-N 2 1 333.476 1.489 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](O)C(C)C)CC2)CC1 ZINC000561298978 306286645 /nfs/dbraw/zinc/28/66/45/306286645.db2.gz CMRVKVRJRJYSSF-KRWDZBQOSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000152450793 539813524 /nfs/dbraw/zinc/81/35/24/539813524.db2.gz XZXSELROIZJJHU-FUHWJXTLSA-N 2 1 348.491 1.479 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](CC)CC)CC[N@H+]1C[C@@H](C)O ZINC000345343887 539829001 /nfs/dbraw/zinc/82/90/01/539829001.db2.gz NCKNDZAZCXKVHE-ARFHVFGLSA-N 2 1 328.501 1.203 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000562612646 306302877 /nfs/dbraw/zinc/30/28/77/306302877.db2.gz BUXTVAMGNXDMGE-HNNXBMFYSA-N 2 1 345.443 1.109 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000562751372 306307819 /nfs/dbraw/zinc/30/78/19/306307819.db2.gz OIXBBMYBJNNHSM-MSOLQXFVSA-N 2 1 344.459 1.415 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000356087566 539962196 /nfs/dbraw/zinc/96/21/96/539962196.db2.gz IPKBYCDXWRJSFA-LBPRGKRZSA-N 2 1 332.452 1.683 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000562807009 306309724 /nfs/dbraw/zinc/30/97/24/306309724.db2.gz YDIDPAVFRSSXSA-WMZOPIPTSA-N 2 1 345.491 1.715 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000562807009 306309725 /nfs/dbraw/zinc/30/97/25/306309725.db2.gz YDIDPAVFRSSXSA-WMZOPIPTSA-N 2 1 345.491 1.715 20 0 EDADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000562837853 306311134 /nfs/dbraw/zinc/31/11/34/306311134.db2.gz LBJNEFGYLHAFDY-INIZCTEOSA-N 2 1 345.443 1.860 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000362265809 540005769 /nfs/dbraw/zinc/00/57/69/540005769.db2.gz ACDHHTNVXGVJKB-MRXNPFEDSA-N 2 1 333.480 1.952 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000362265808 540005821 /nfs/dbraw/zinc/00/58/21/540005821.db2.gz ACDHHTNVXGVJKB-INIZCTEOSA-N 2 1 333.480 1.952 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000563145521 306320162 /nfs/dbraw/zinc/32/01/62/306320162.db2.gz XUNYIQOQBRZYMG-SQWLQELKSA-N 2 1 338.496 1.142 20 0 EDADMP CC(C)[NH2+]CCC(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000563198113 306322802 /nfs/dbraw/zinc/32/28/02/306322802.db2.gz FUHJQAIWVHQGQX-INIZCTEOSA-N 2 1 346.475 1.711 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000563409956 306332158 /nfs/dbraw/zinc/33/21/58/306332158.db2.gz ZPKFIUBHCBFVGQ-AEFFLSMTSA-N 2 1 337.508 1.460 20 0 EDADMP CCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)C[C@H]1CCCCO1 ZINC000089126009 138273180 /nfs/dbraw/zinc/27/31/80/138273180.db2.gz IGQZDWWIIGSLNV-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000090579994 138279597 /nfs/dbraw/zinc/27/95/97/138279597.db2.gz QXRTVQGFCBKTEW-RDBSUJKOSA-N 2 1 345.534 1.687 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123532376 138319155 /nfs/dbraw/zinc/31/91/55/138319155.db2.gz FZIQXPZGFLUTAI-QWHCGFSZSA-N 2 1 333.436 1.051 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123532376 138319156 /nfs/dbraw/zinc/31/91/56/138319156.db2.gz FZIQXPZGFLUTAI-QWHCGFSZSA-N 2 1 333.436 1.051 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000131507097 138360859 /nfs/dbraw/zinc/36/08/59/138360859.db2.gz MVVFPKPRUSQCOI-HKUYNNGSSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000131507097 138360860 /nfs/dbraw/zinc/36/08/60/138360860.db2.gz MVVFPKPRUSQCOI-HKUYNNGSSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000131507097 138360861 /nfs/dbraw/zinc/36/08/61/138360861.db2.gz MVVFPKPRUSQCOI-HKUYNNGSSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000131507097 138360862 /nfs/dbraw/zinc/36/08/62/138360862.db2.gz MVVFPKPRUSQCOI-HKUYNNGSSA-N 2 1 345.487 1.878 20 0 EDADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2)N1CCOCC1 ZINC000563627777 306342822 /nfs/dbraw/zinc/34/28/22/306342822.db2.gz BDGIEGSIYOZQRF-LJQANCHMSA-N 2 1 343.471 1.546 20 0 EDADMP O=S(=O)(c1ccccc1)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000563666792 306344434 /nfs/dbraw/zinc/34/44/34/306344434.db2.gz MPNLFFOEQGDANH-MRXNPFEDSA-N 2 1 337.489 1.383 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000186931806 236068431 /nfs/dbraw/zinc/06/84/31/236068431.db2.gz QXEDLBGLTYDJDB-UHFFFAOYSA-N 2 1 334.464 1.270 20 0 EDADMP O=C(NCC1=CC[NH2+]CC1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000563945706 306352897 /nfs/dbraw/zinc/35/28/97/306352897.db2.gz HBUIUDXLBVMGPR-GOSISDBHSA-N 2 1 328.460 1.870 20 0 EDADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000187937730 236349722 /nfs/dbraw/zinc/34/97/22/236349722.db2.gz CBVLBZLGRHCQHV-OAHLLOKOSA-N 2 1 341.459 1.927 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3cnccn3)CC2)CC1 ZINC000564196921 306356428 /nfs/dbraw/zinc/35/64/28/306356428.db2.gz RVFPFRHPLUPIKJ-UHFFFAOYSA-N 2 1 345.491 1.631 20 0 EDADMP O=C(CC[NH2+]C1CC1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000565211802 306378659 /nfs/dbraw/zinc/37/86/59/306378659.db2.gz DRFBUIXJFRKDCB-UHFFFAOYSA-N 2 1 334.439 1.206 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)CCCO1 ZINC000565354849 306382207 /nfs/dbraw/zinc/38/22/07/306382207.db2.gz ZWEFXLHUURBRCE-SJLPKXTDSA-N 2 1 331.460 1.620 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000055326812 201134932 /nfs/dbraw/zinc/13/49/32/201134932.db2.gz ALEQDXRTDZBYNH-OAHLLOKOSA-N 2 1 335.496 1.479 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000565639451 306388211 /nfs/dbraw/zinc/38/82/11/306388211.db2.gz RPPRDGNMEYMRNA-WMZOPIPTSA-N 2 1 337.508 1.604 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000565639451 306388212 /nfs/dbraw/zinc/38/82/12/306388212.db2.gz RPPRDGNMEYMRNA-WMZOPIPTSA-N 2 1 337.508 1.604 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000565639451 306388213 /nfs/dbraw/zinc/38/82/13/306388213.db2.gz RPPRDGNMEYMRNA-WMZOPIPTSA-N 2 1 337.508 1.604 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)[C@@H]2C1 ZINC000566137748 306399915 /nfs/dbraw/zinc/39/99/15/306399915.db2.gz HHSHLCWSQAWGRH-YESZJQIVSA-N 2 1 337.533 1.757 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)C1 ZINC000414701332 304130009 /nfs/dbraw/zinc/13/00/09/304130009.db2.gz GVTGLJGEYXILPC-RBUKOAKNSA-N 2 1 345.487 1.517 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000414710344 304131359 /nfs/dbraw/zinc/13/13/59/304131359.db2.gz SICHCEKSUTUHSU-GJZGRUSLSA-N 2 1 346.475 1.581 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000414712862 304131592 /nfs/dbraw/zinc/13/15/92/304131592.db2.gz VKZJEIBKDZSUAN-HUUCEWRRSA-N 2 1 346.475 1.724 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000414714985 304131795 /nfs/dbraw/zinc/13/17/95/304131795.db2.gz WWGVHONJAUVSJV-HUUCEWRRSA-N 2 1 346.475 1.581 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000414779595 304139803 /nfs/dbraw/zinc/13/98/03/304139803.db2.gz KMNIUIBGVZUOHN-IAGOWNOFSA-N 2 1 348.491 1.885 20 0 EDADMP COc1cc(C[N@H+](C)C[C@@H](O)C[NH3+])ccc1OCc1ccncc1 ZINC000415069601 304156957 /nfs/dbraw/zinc/15/69/57/304156957.db2.gz PEUGDVPDYAOMCO-INIZCTEOSA-N 2 1 331.416 1.421 20 0 EDADMP COc1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])ccc1OCc1ccncc1 ZINC000415069601 304156958 /nfs/dbraw/zinc/15/69/58/304156958.db2.gz PEUGDVPDYAOMCO-INIZCTEOSA-N 2 1 331.416 1.421 20 0 EDADMP COc1ccc(CN2CC[C@H]([NH2+][C@H](C)C[C@H]3CCC[NH2+]3)C2=O)cc1 ZINC000415074812 304157635 /nfs/dbraw/zinc/15/76/35/304157635.db2.gz AIOTVKSLJWVPOZ-KYJSFNMBSA-N 2 1 331.460 1.916 20 0 EDADMP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[NH+](C2CC2)CC1 ZINC000105128691 204133948 /nfs/dbraw/zinc/13/39/48/204133948.db2.gz WUGZMHNYUKXNNK-UHFFFAOYSA-N 2 1 342.487 1.924 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[NH+](C2CC2)CC1 ZINC000105128691 204133952 /nfs/dbraw/zinc/13/39/52/204133952.db2.gz WUGZMHNYUKXNNK-UHFFFAOYSA-N 2 1 342.487 1.924 20 0 EDADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415136156 304163069 /nfs/dbraw/zinc/16/30/69/304163069.db2.gz HFSRJJUTTQUUPQ-QZTJIDSGSA-N 2 1 346.450 1.854 20 0 EDADMP CC[NH+](CC)CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000119895343 204399222 /nfs/dbraw/zinc/39/92/22/204399222.db2.gz LOJHTEHXMVUAFI-UHFFFAOYSA-N 2 1 328.501 1.328 20 0 EDADMP COCC[NH2+]CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000237200256 139043875 /nfs/dbraw/zinc/04/38/75/139043875.db2.gz IGMHEIWBRUQVPH-INIZCTEOSA-N 2 1 333.476 1.913 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C3([NH3+])CCCC3)C2)cc(OC)c1 ZINC000237303965 139047084 /nfs/dbraw/zinc/04/70/84/139047084.db2.gz LJRRLHNCBWIRIL-OAHLLOKOSA-N 2 1 347.459 1.666 20 0 EDADMP C[C@H](c1ccc(NC(=O)N[C@H](C[NH3+])C2CC2)cc1)[NH+]1CCOCC1 ZINC000415174720 304170975 /nfs/dbraw/zinc/17/09/75/304170975.db2.gz DOAQUFJXZLTENQ-CXAGYDPISA-N 2 1 332.448 1.939 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000157480420 205211273 /nfs/dbraw/zinc/21/12/73/205211273.db2.gz FYZZUMUEIYMVKS-SJORKVTESA-N 2 1 341.496 1.007 20 0 EDADMP Cc1c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000237504723 139052882 /nfs/dbraw/zinc/05/28/82/139052882.db2.gz NXULKRXHGUCSSG-AWEZNQCLSA-N 2 1 348.495 1.505 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000415193631 304173498 /nfs/dbraw/zinc/17/34/98/304173498.db2.gz MJQQEOFCAMMIBB-CXAGYDPISA-N 2 1 344.459 1.778 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000133985768 205386590 /nfs/dbraw/zinc/38/65/90/205386590.db2.gz DVMDGSIOBPQXFC-IAGOWNOFSA-N 2 1 333.501 1.987 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000111448109 220156616 /nfs/dbraw/zinc/15/66/16/220156616.db2.gz KIIYPBFUVXPBDS-BBWFWOEESA-N 2 1 340.512 1.659 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000111448109 220156619 /nfs/dbraw/zinc/15/66/19/220156619.db2.gz KIIYPBFUVXPBDS-BBWFWOEESA-N 2 1 340.512 1.659 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000111448109 220156622 /nfs/dbraw/zinc/15/66/22/220156622.db2.gz KIIYPBFUVXPBDS-BBWFWOEESA-N 2 1 340.512 1.659 20 0 EDADMP O=C(NCCN1CC[NH2+]CC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000237756269 139059718 /nfs/dbraw/zinc/05/97/18/139059718.db2.gz MXCQUKIXLMYWPR-GOSISDBHSA-N 2 1 348.466 1.202 20 0 EDADMP O=C(NCCN1CC[NH2+]CC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000237756269 139059719 /nfs/dbraw/zinc/05/97/19/139059719.db2.gz MXCQUKIXLMYWPR-GOSISDBHSA-N 2 1 348.466 1.202 20 0 EDADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000238040013 139067343 /nfs/dbraw/zinc/06/73/43/139067343.db2.gz NCCBEHFWVFFOED-UHFFFAOYSA-N 2 1 344.503 1.310 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000111843289 220206318 /nfs/dbraw/zinc/20/63/18/220206318.db2.gz HFGLAFCXNOGYJD-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000157027900 206112908 /nfs/dbraw/zinc/11/29/08/206112908.db2.gz HSAHSLLLHRWECN-RDJZCZTQSA-N 2 1 337.464 1.792 20 0 EDADMP Cn1cc(N2CC[C@H](N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2=O)cn1 ZINC000246433612 139108259 /nfs/dbraw/zinc/10/82/59/139108259.db2.gz CTEGMQCGHGGNCW-QGTPRVQTSA-N 2 1 343.475 1.474 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246794264 139121769 /nfs/dbraw/zinc/12/17/69/139121769.db2.gz QEMCNOAVPAYSDC-TWMKSMIVSA-N 2 1 337.508 1.865 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000247023056 139131705 /nfs/dbraw/zinc/13/17/05/139131705.db2.gz XZJGIPWLHHWFNQ-HOCLYGCPSA-N 2 1 348.491 1.656 20 0 EDADMP CC1(C)NC(=O)N(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000247023056 139131706 /nfs/dbraw/zinc/13/17/06/139131706.db2.gz XZJGIPWLHHWFNQ-HOCLYGCPSA-N 2 1 348.491 1.656 20 0 EDADMP CC1(C)NC(=O)N(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000247023056 139131707 /nfs/dbraw/zinc/13/17/07/139131707.db2.gz XZJGIPWLHHWFNQ-HOCLYGCPSA-N 2 1 348.491 1.656 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000247235489 139141677 /nfs/dbraw/zinc/14/16/77/139141677.db2.gz DJDSUCJOSVBJCP-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000247235489 139141678 /nfs/dbraw/zinc/14/16/78/139141678.db2.gz DJDSUCJOSVBJCP-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000247235489 139141679 /nfs/dbraw/zinc/14/16/79/139141679.db2.gz DJDSUCJOSVBJCP-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CCC[NH2+]3)cc2)C[C@@H](C)O1 ZINC000247311034 139144510 /nfs/dbraw/zinc/14/45/10/139144510.db2.gz QXSSQUQEPBUQLO-IIDMSEBBSA-N 2 1 331.460 1.778 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000247331742 139145272 /nfs/dbraw/zinc/14/52/72/139145272.db2.gz VDMGYROSLYKGIB-HOCLYGCPSA-N 2 1 341.377 1.919 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H]1C ZINC000248371074 139161045 /nfs/dbraw/zinc/16/10/45/139161045.db2.gz YGHAPFYWCVDUNK-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H]1C ZINC000248371074 139161046 /nfs/dbraw/zinc/16/10/46/139161046.db2.gz YGHAPFYWCVDUNK-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000248796953 139175700 /nfs/dbraw/zinc/17/57/00/139175700.db2.gz YVDFMPPDWYDYMD-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000248796953 139175701 /nfs/dbraw/zinc/17/57/01/139175701.db2.gz YVDFMPPDWYDYMD-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000248796953 139175702 /nfs/dbraw/zinc/17/57/02/139175702.db2.gz YVDFMPPDWYDYMD-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3C[C@H](C)O[C@@H](C)C3)C2)[nH+]1 ZINC000249863952 139199409 /nfs/dbraw/zinc/19/94/09/139199409.db2.gz HCDREKWMVOZUJD-ULQDDVLXSA-N 2 1 346.475 1.760 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000252977985 139205512 /nfs/dbraw/zinc/20/55/12/139205512.db2.gz XJKUATWEEDWRAA-IKGGRYGDSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261610754 139210678 /nfs/dbraw/zinc/21/06/78/139210678.db2.gz DPHCITVNGMTQGZ-INIZCTEOSA-N 2 1 346.475 1.535 20 0 EDADMP CC(C)c1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261610754 139210679 /nfs/dbraw/zinc/21/06/79/139210679.db2.gz DPHCITVNGMTQGZ-INIZCTEOSA-N 2 1 346.475 1.535 20 0 EDADMP C[C@]1(C[NH3+])CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000261750589 139222916 /nfs/dbraw/zinc/22/29/16/139222916.db2.gz DUUAJBYPIBGWCM-FUHWJXTLSA-N 2 1 333.501 1.974 20 0 EDADMP [NH3+][C@@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)C1CCOCC1 ZINC000261803299 139227297 /nfs/dbraw/zinc/22/72/97/139227297.db2.gz OHCPKFYTSCYXDW-GOSISDBHSA-N 2 1 331.460 1.127 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261836659 139230181 /nfs/dbraw/zinc/23/01/81/139230181.db2.gz UDMGNVXYGQXDDP-QRQLOZEOSA-N 3 1 344.503 1.213 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261836659 139230182 /nfs/dbraw/zinc/23/01/82/139230182.db2.gz UDMGNVXYGQXDDP-QRQLOZEOSA-N 3 1 344.503 1.213 20 0 EDADMP c1sc(-c2ccccn2)nc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261891274 139234495 /nfs/dbraw/zinc/23/44/95/139234495.db2.gz NUMVOTKEHFKFJD-OAHLLOKOSA-N 2 1 329.473 1.685 20 0 EDADMP c1sc(-c2ccccn2)nc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261891274 139234496 /nfs/dbraw/zinc/23/44/96/139234496.db2.gz NUMVOTKEHFKFJD-OAHLLOKOSA-N 2 1 329.473 1.685 20 0 EDADMP c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261997042 139242671 /nfs/dbraw/zinc/24/26/71/139242671.db2.gz UDSSSRQFBWRORZ-KSZLIROESA-N 2 1 330.476 1.929 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000112561280 207085718 /nfs/dbraw/zinc/08/57/18/207085718.db2.gz VELSKGQCFOEBOQ-GOSISDBHSA-N 2 1 343.471 1.525 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)[NH+](C)C ZINC000416831175 251111748 /nfs/dbraw/zinc/11/17/48/251111748.db2.gz HMANENGMRDUZLN-MRXNPFEDSA-N 2 1 348.491 1.987 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417019363 251135016 /nfs/dbraw/zinc/13/50/16/251135016.db2.gz IOSUILURODPEKN-INIZCTEOSA-N 2 1 330.476 1.686 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@H](C)O1 ZINC000262329164 139270620 /nfs/dbraw/zinc/27/06/20/139270620.db2.gz GJXGWCNQCBGQBJ-CYJAXWMASA-N 2 1 337.508 1.770 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@H](C)O1 ZINC000262329164 139270621 /nfs/dbraw/zinc/27/06/21/139270621.db2.gz GJXGWCNQCBGQBJ-CYJAXWMASA-N 2 1 337.508 1.770 20 0 EDADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417089889 251140905 /nfs/dbraw/zinc/14/09/05/251140905.db2.gz SGWMYQDQAVFFEU-GUDVDZBRSA-N 2 1 342.487 1.902 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000417090553 251141303 /nfs/dbraw/zinc/14/13/03/251141303.db2.gz XAPVEDGSHMWHGX-ROUUACIJSA-N 2 1 346.475 1.410 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000417220545 251147635 /nfs/dbraw/zinc/14/76/35/251147635.db2.gz LPTMULLKPOOTLQ-UONOGXRCSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000417220545 251147638 /nfs/dbraw/zinc/14/76/38/251147638.db2.gz LPTMULLKPOOTLQ-UONOGXRCSA-N 2 1 336.505 1.875 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000417271569 251152058 /nfs/dbraw/zinc/15/20/58/251152058.db2.gz POQXIDAUYRSWCK-DZGCQCFKSA-N 2 1 336.505 1.923 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000417271569 251152064 /nfs/dbraw/zinc/15/20/64/251152064.db2.gz POQXIDAUYRSWCK-DZGCQCFKSA-N 2 1 336.505 1.923 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N1C[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000417518869 251182825 /nfs/dbraw/zinc/18/28/25/251182825.db2.gz TXXUXIWQKCQZBD-SZMVWBNQSA-N 2 1 348.491 1.685 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000417587868 251200230 /nfs/dbraw/zinc/20/02/30/251200230.db2.gz SREKUYXIYKWTJW-HOTGVXAUSA-N 2 1 340.512 1.646 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)CC2)[nH+]1 ZINC000417688877 251229457 /nfs/dbraw/zinc/22/94/57/251229457.db2.gz FMEXUNSXCVFXRH-BBRMVZONSA-N 2 1 331.464 1.738 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)[nH+]1 ZINC000417707158 251236367 /nfs/dbraw/zinc/23/63/67/251236367.db2.gz WYRLIPUEZWIWRC-XJKSGUPXSA-N 2 1 331.464 1.656 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000417726924 251244519 /nfs/dbraw/zinc/24/45/19/251244519.db2.gz IJHKKUJJXUJYLD-JFIYKMOQSA-N 2 1 345.491 1.328 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417737112 251248516 /nfs/dbraw/zinc/24/85/16/251248516.db2.gz VQSFOYCBUVFJPC-SJORKVTESA-N 2 1 345.491 1.200 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000417753721 251256727 /nfs/dbraw/zinc/25/67/27/251256727.db2.gz UOQZJWDXGRVPRF-AEFFLSMTSA-N 2 1 347.507 1.259 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)CCC(F)(F)F ZINC000418078654 251320838 /nfs/dbraw/zinc/32/08/38/251320838.db2.gz OPSWAHQIJDHOSZ-XQQFMLRXSA-N 2 1 336.402 1.639 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418434007 251369977 /nfs/dbraw/zinc/36/99/77/251369977.db2.gz DYEWNYMBYGHHOI-LJQANCHMSA-N 2 1 348.491 1.440 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418709551 251391861 /nfs/dbraw/zinc/39/18/61/251391861.db2.gz URPSXNYYGNAJLG-WCXIOVBPSA-N 2 1 340.512 1.787 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418709551 251391866 /nfs/dbraw/zinc/39/18/66/251391866.db2.gz URPSXNYYGNAJLG-WCXIOVBPSA-N 2 1 340.512 1.787 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1CCOC ZINC000418726372 251398165 /nfs/dbraw/zinc/39/81/65/251398165.db2.gz CRMJHYQYVAGIIE-BZUAXINKSA-N 2 1 326.485 1.256 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NCC[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000262592149 139288928 /nfs/dbraw/zinc/28/89/28/139288928.db2.gz RYWJBSCWIGMEAH-AEFFLSMTSA-N 2 1 330.476 1.091 20 0 EDADMP CC(C)(C)[C@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000262639342 139292211 /nfs/dbraw/zinc/29/22/11/139292211.db2.gz IROSONIYBBKRLG-LSDHHAIUSA-N 2 1 332.448 1.448 20 0 EDADMP CC(C)(C)[C@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000262639342 139292212 /nfs/dbraw/zinc/29/22/12/139292212.db2.gz IROSONIYBBKRLG-LSDHHAIUSA-N 2 1 332.448 1.448 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2([NH3+])CCCCC2)c1 ZINC000262682921 139296147 /nfs/dbraw/zinc/29/61/47/139296147.db2.gz WUQOTMINSSATEL-INIZCTEOSA-N 2 1 344.459 1.736 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2([NH3+])CCCCC2)c1 ZINC000262682921 139296148 /nfs/dbraw/zinc/29/61/48/139296148.db2.gz WUQOTMINSSATEL-INIZCTEOSA-N 2 1 344.459 1.736 20 0 EDADMP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262716407 139298544 /nfs/dbraw/zinc/29/85/44/139298544.db2.gz VTTWPTHPDWQAPD-HOCLYGCPSA-N 2 1 332.448 1.450 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262761692 139301808 /nfs/dbraw/zinc/30/18/08/139301808.db2.gz LLWPDEBHSSBMMF-HNNXBMFYSA-N 2 1 330.436 1.475 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](C[NH3+])OC ZINC000262751228 139301153 /nfs/dbraw/zinc/30/11/53/139301153.db2.gz BWYQFBHCQDKMNX-ROUUACIJSA-N 2 1 333.476 1.721 20 0 EDADMP C[C@H]1C[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000262859791 139308544 /nfs/dbraw/zinc/30/85/44/139308544.db2.gz LBUFIZPYYBBCKZ-FUHWJXTLSA-N 2 1 330.476 1.061 20 0 EDADMP C[NH+](C)CCOc1ccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422894933 252015590 /nfs/dbraw/zinc/01/55/90/252015590.db2.gz DMXVPFGLOHWXPK-XUVXKRRUSA-N 2 1 347.503 1.874 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423176322 252043043 /nfs/dbraw/zinc/04/30/43/252043043.db2.gz GRGSQMZVFCMHJC-AZUAARDMSA-N 3 1 330.520 1.782 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423176322 252043045 /nfs/dbraw/zinc/04/30/45/252043045.db2.gz GRGSQMZVFCMHJC-AZUAARDMSA-N 3 1 330.520 1.782 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000423796910 252079823 /nfs/dbraw/zinc/07/98/23/252079823.db2.gz MFBLOQLLZOFKQN-QGZVFWFLSA-N 2 1 330.476 1.881 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000423795943 252079905 /nfs/dbraw/zinc/07/99/05/252079905.db2.gz KYZNPJWSXXPWDW-PKOBYXMFSA-N 2 1 330.476 1.752 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424331822 252196309 /nfs/dbraw/zinc/19/63/09/252196309.db2.gz JZDRWWGGAPRVNB-RTBURBONSA-N 2 1 344.503 1.499 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424438171 252231626 /nfs/dbraw/zinc/23/16/26/252231626.db2.gz PJHANKDNNLOWNY-AWEZNQCLSA-N 2 1 348.447 1.555 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000353108107 285022815 /nfs/dbraw/zinc/02/28/15/285022815.db2.gz FHLAKCTVHZDCNO-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000157480272 285036954 /nfs/dbraw/zinc/03/69/54/285036954.db2.gz FYZZUMUEIYMVKS-DLBZAZTESA-N 2 1 341.496 1.007 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C[C@@H](C)O1 ZINC000263161347 139325844 /nfs/dbraw/zinc/32/58/44/139325844.db2.gz DVECLYDNGBUDBR-ZXFNITATSA-N 2 1 325.497 1.898 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112464655 220332650 /nfs/dbraw/zinc/33/26/50/220332650.db2.gz LMUQAYNYOBSKHW-QGZVFWFLSA-N 2 1 340.512 1.472 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000187398912 296389611 /nfs/dbraw/zinc/38/96/11/296389611.db2.gz WSVIRVKAASOREE-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000187398912 296389613 /nfs/dbraw/zinc/38/96/13/296389613.db2.gz WSVIRVKAASOREE-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000187398912 296389615 /nfs/dbraw/zinc/38/96/15/296389615.db2.gz WSVIRVKAASOREE-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000488506659 255044935 /nfs/dbraw/zinc/04/49/35/255044935.db2.gz OPVBUQNBBDAHNV-HPFXQQBRSA-N 2 1 331.464 1.439 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cnn(C)c1 ZINC000363195946 285248323 /nfs/dbraw/zinc/24/83/23/285248323.db2.gz JZPMBIDNCRPXQW-SQNIBIBYSA-N 2 1 347.507 1.398 20 0 EDADMP COCC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000490093252 255078897 /nfs/dbraw/zinc/07/88/97/255078897.db2.gz AJVNDNLMLYCVCX-MSOLQXFVSA-N 2 1 349.475 1.143 20 0 EDADMP COCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000490093252 255078898 /nfs/dbraw/zinc/07/88/98/255078898.db2.gz AJVNDNLMLYCVCX-MSOLQXFVSA-N 2 1 349.475 1.143 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)/C=C\C[NH+](C)C)c2)CCO1 ZINC000491890004 255154318 /nfs/dbraw/zinc/15/43/18/255154318.db2.gz GLCUSBLJTJFWLF-KQQSKNTNSA-N 2 1 331.460 1.641 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)/C=C\C[NH+](C)C)c2)CCO1 ZINC000491890004 255154319 /nfs/dbraw/zinc/15/43/19/255154319.db2.gz GLCUSBLJTJFWLF-KQQSKNTNSA-N 2 1 331.460 1.641 20 0 EDADMP CCn1nccc1/C=C\C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000492223459 255163484 /nfs/dbraw/zinc/16/34/84/255163484.db2.gz AXDCVLIUYHKLMW-LPADLIQXSA-N 2 1 347.507 1.791 20 0 EDADMP C[C@@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000492607693 255182856 /nfs/dbraw/zinc/18/28/56/255182856.db2.gz IIBJNPSWGPYSJW-HNNXBMFYSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000495767902 255322761 /nfs/dbraw/zinc/32/27/61/255322761.db2.gz BOPBYTPPSNHOMM-ZDUSSCGKSA-N 2 1 342.484 1.042 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000358817314 285269853 /nfs/dbraw/zinc/26/98/53/285269853.db2.gz BTWITVGAAQNJLG-GJZGRUSLSA-N 2 1 340.512 1.022 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1occ2c1CCOC2 ZINC000375714868 285281834 /nfs/dbraw/zinc/28/18/34/285281834.db2.gz RYICGEZZARKUFJ-INIZCTEOSA-N 2 1 349.475 1.840 20 0 EDADMP COCCCCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000116879279 221002735 /nfs/dbraw/zinc/00/27/35/221002735.db2.gz XGFTYXJXHDOUMG-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCCOC)CC2)CC1 ZINC000117881743 221096531 /nfs/dbraw/zinc/09/65/31/221096531.db2.gz CESMNXADQUHVJE-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP C[N@H+]1CCCN(C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)CC1 ZINC000264104651 139380695 /nfs/dbraw/zinc/38/06/95/139380695.db2.gz FZZQOBBDONHEQX-LJQANCHMSA-N 2 1 344.503 1.898 20 0 EDADMP C[NH+]1CCCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000264104651 139380696 /nfs/dbraw/zinc/38/06/96/139380696.db2.gz FZZQOBBDONHEQX-LJQANCHMSA-N 2 1 344.503 1.898 20 0 EDADMP C[NH+]1CCCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000264104651 139380697 /nfs/dbraw/zinc/38/06/97/139380697.db2.gz FZZQOBBDONHEQX-LJQANCHMSA-N 2 1 344.503 1.898 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000415915546 304285349 /nfs/dbraw/zinc/28/53/49/304285349.db2.gz FUXZCNBGUKDPME-HNNXBMFYSA-N 2 1 333.480 1.411 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000415934965 304286245 /nfs/dbraw/zinc/28/62/45/304286245.db2.gz SYFMIBVOMCLRIK-INIZCTEOSA-N 2 1 334.464 1.764 20 0 EDADMP CC[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C)C(=O)OC ZINC000269901831 140015483 /nfs/dbraw/zinc/01/54/83/140015483.db2.gz OLPXKNWJBKLTBU-CJNGLKHVSA-N 2 1 338.452 1.217 20 0 EDADMP CC[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C)C(=O)OC ZINC000269901831 140015484 /nfs/dbraw/zinc/01/54/84/140015484.db2.gz OLPXKNWJBKLTBU-CJNGLKHVSA-N 2 1 338.452 1.217 20 0 EDADMP O=C(CC[C@@H]1CC[NH2+]C1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000270349880 140083937 /nfs/dbraw/zinc/08/39/37/140083937.db2.gz SKGUKWACGZYHGR-QGZVFWFLSA-N 2 1 345.491 1.100 20 0 EDADMP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1[NH+](C)C ZINC000271431193 140295145 /nfs/dbraw/zinc/29/51/45/140295145.db2.gz AAFZPMYPFYKQRV-MJGOQNOKSA-N 2 1 344.503 1.213 20 0 EDADMP C[NH+]1CCN(Cc2ccc(C(=O)NCC3=CC[N@@H+](C)CC3)cc2)CC1 ZINC000271926302 140373743 /nfs/dbraw/zinc/37/37/43/140373743.db2.gz LIASTFRGSUYACO-UHFFFAOYSA-N 2 1 342.487 1.426 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCC3=CC[N@H+](C)CC3)cc2)CC1 ZINC000271926302 140373744 /nfs/dbraw/zinc/37/37/44/140373744.db2.gz LIASTFRGSUYACO-UHFFFAOYSA-N 2 1 342.487 1.426 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCC3=CC[N@@H+](C)CC3)cc2)CC1 ZINC000271926302 140373745 /nfs/dbraw/zinc/37/37/45/140373745.db2.gz LIASTFRGSUYACO-UHFFFAOYSA-N 2 1 342.487 1.426 20 0 EDADMP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000331369068 141012491 /nfs/dbraw/zinc/01/24/91/141012491.db2.gz CJNLGYBYJMJDKK-LBPRGKRZSA-N 2 1 343.880 1.561 20 0 EDADMP CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000332188478 141137386 /nfs/dbraw/zinc/13/73/86/141137386.db2.gz XGLSQHVXVVQHEF-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000332188478 141137387 /nfs/dbraw/zinc/13/73/87/141137387.db2.gz XGLSQHVXVVQHEF-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1 ZINC000332611235 141214627 /nfs/dbraw/zinc/21/46/27/141214627.db2.gz BWNLEWGFSOMCBQ-RHSMWYFYSA-N 2 1 332.448 1.781 20 0 EDADMP Cc1ncc2n1CC[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000332873677 141242364 /nfs/dbraw/zinc/24/23/64/141242364.db2.gz UMWPMTBNBDCNEG-IJEWVQPXSA-N 2 1 348.491 1.758 20 0 EDADMP Cc1ncc2n1CC[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000332873677 141242365 /nfs/dbraw/zinc/24/23/65/141242365.db2.gz UMWPMTBNBDCNEG-IJEWVQPXSA-N 2 1 348.491 1.758 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1C ZINC000333242001 141286583 /nfs/dbraw/zinc/28/65/83/141286583.db2.gz IPOZFJKUMOQONN-HNNXBMFYSA-N 2 1 348.495 1.646 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000333324341 141299442 /nfs/dbraw/zinc/29/94/42/141299442.db2.gz QGUQIJYTSMCRRX-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP Cn1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333653099 141350860 /nfs/dbraw/zinc/35/08/60/141350860.db2.gz ZIPGUIZBKAVFDJ-UXLLHSPISA-N 2 1 345.491 1.443 20 0 EDADMP C[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CC[N@H+](C2CC2)C1 ZINC000333678829 141355573 /nfs/dbraw/zinc/35/55/73/141355573.db2.gz KSKUQZZZAFKEBO-JKSUJKDBSA-N 2 1 345.491 1.606 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333704606 141362126 /nfs/dbraw/zinc/36/21/26/141362126.db2.gz DTFOLHIJYMENSG-FVQBIDKESA-N 2 1 348.516 1.794 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333704606 141362127 /nfs/dbraw/zinc/36/21/27/141362127.db2.gz DTFOLHIJYMENSG-FVQBIDKESA-N 2 1 348.516 1.794 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000333796914 141383655 /nfs/dbraw/zinc/38/36/55/141383655.db2.gz HDQIBXKPIICALS-RHSMWYFYSA-N 2 1 338.496 1.399 20 0 EDADMP CC1CCN(C[C@H](O)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000333826093 141388860 /nfs/dbraw/zinc/38/88/60/141388860.db2.gz KAWOQNSUMJRCBY-LJQANCHMSA-N 2 1 332.492 1.733 20 0 EDADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000333839588 141391838 /nfs/dbraw/zinc/39/18/38/141391838.db2.gz NZKDMHJERICGTR-BDXSIMOUSA-N 2 1 343.475 1.295 20 0 EDADMP Cn1ccnc1CNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000339911117 142197460 /nfs/dbraw/zinc/19/74/60/142197460.db2.gz CQSOBWDBGRMIRP-QWRGUYRKSA-N 2 1 332.370 1.945 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000340120081 142272085 /nfs/dbraw/zinc/27/20/85/142272085.db2.gz QIZIDBWEVQEZHQ-FUHWJXTLSA-N 2 1 345.491 1.085 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCC[N@H+]1C ZINC000345319949 143077369 /nfs/dbraw/zinc/07/73/69/143077369.db2.gz MQRSBGDLQGOEES-APWZRJJASA-N 2 1 344.503 1.647 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](CC)C1 ZINC000345627260 143113903 /nfs/dbraw/zinc/11/39/03/143113903.db2.gz IOOBLKCGVDRQIH-HOTGVXAUSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000345627260 143113904 /nfs/dbraw/zinc/11/39/04/143113904.db2.gz IOOBLKCGVDRQIH-HOTGVXAUSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000345627260 143113905 /nfs/dbraw/zinc/11/39/05/143113905.db2.gz IOOBLKCGVDRQIH-HOTGVXAUSA-N 2 1 328.501 1.205 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000345733753 143126954 /nfs/dbraw/zinc/12/69/54/143126954.db2.gz CEDFUDYEVUJGDL-HZPDHXFCSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000345733753 143126955 /nfs/dbraw/zinc/12/69/55/143126955.db2.gz CEDFUDYEVUJGDL-HZPDHXFCSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]([NH3+])CC(F)F ZINC000345830571 143137703 /nfs/dbraw/zinc/13/77/03/143137703.db2.gz XWBGZGJYTKXZFE-HIFRSBDPSA-N 2 1 340.418 1.296 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC2([NH+](C)C)CCCCC2)[N@@H+](C)C1 ZINC000345869584 143141641 /nfs/dbraw/zinc/14/16/41/143141641.db2.gz WPIRZHVHRVNTTI-JKSUJKDBSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)C[C@@H](C)C1 ZINC000346187547 143176809 /nfs/dbraw/zinc/17/68/09/143176809.db2.gz DXPAPNVJMZAGHQ-RLFYNMQTSA-N 2 1 330.476 1.946 20 0 EDADMP CCC1(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCOCC1 ZINC000346694173 143232879 /nfs/dbraw/zinc/23/28/79/143232879.db2.gz SINZENMGXAAFRC-DLBZAZTESA-N 2 1 337.508 1.773 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346823927 143249310 /nfs/dbraw/zinc/24/93/10/143249310.db2.gz GBPSIRXONXVWMP-XIRDDKMYSA-N 2 1 331.460 1.713 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1)N1CC[NH2+]CC1 ZINC000347010110 143270986 /nfs/dbraw/zinc/27/09/86/143270986.db2.gz FXGVDFCHHQQOBD-SFHVURJKSA-N 2 1 338.455 1.879 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1)N1CC[NH2+]CC1 ZINC000347032187 143274126 /nfs/dbraw/zinc/27/41/26/143274126.db2.gz ZCCNFJCTSXJYLH-INIZCTEOSA-N 2 1 327.432 1.207 20 0 EDADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1C ZINC000347040371 143275337 /nfs/dbraw/zinc/27/53/37/143275337.db2.gz KKCNFDDQQUISTQ-MRXNPFEDSA-N 2 1 333.480 1.164 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCCC[NH+](C(C)C)C(C)C)[N@@H+](C)C1 ZINC000347327345 143309053 /nfs/dbraw/zinc/30/90/53/143309053.db2.gz MUIXWZNRAMHMOI-IAGOWNOFSA-N 2 1 342.528 1.856 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CCCC[NH+]1CC(C)C ZINC000347420186 143318983 /nfs/dbraw/zinc/31/89/83/143318983.db2.gz CGSRJRSTULPPOP-INIZCTEOSA-N 2 1 328.501 1.110 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000347420186 143318984 /nfs/dbraw/zinc/31/89/84/143318984.db2.gz CGSRJRSTULPPOP-INIZCTEOSA-N 2 1 328.501 1.110 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000347420186 143318985 /nfs/dbraw/zinc/31/89/85/143318985.db2.gz CGSRJRSTULPPOP-INIZCTEOSA-N 2 1 328.501 1.110 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)C[NH+](C)[C@H]2CCSC2)C[C@H](C)O1 ZINC000347426294 143319597 /nfs/dbraw/zinc/31/95/97/143319597.db2.gz KZXSQDXPTHKCLP-XHSDSOJGSA-N 2 1 343.537 1.429 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)C[N@H+](C)[C@H]2CCSC2)C[C@H](C)O1 ZINC000347426294 143319598 /nfs/dbraw/zinc/31/95/98/143319598.db2.gz KZXSQDXPTHKCLP-XHSDSOJGSA-N 2 1 343.537 1.429 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)C[N@@H+](C)[C@H]2CCSC2)C[C@H](C)O1 ZINC000347426294 143319599 /nfs/dbraw/zinc/31/95/99/143319599.db2.gz KZXSQDXPTHKCLP-XHSDSOJGSA-N 2 1 343.537 1.429 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000347454552 143323420 /nfs/dbraw/zinc/32/34/20/143323420.db2.gz LVNDAUBGNZWYSA-MOPGFXCFSA-N 2 1 346.519 1.999 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000347454552 143323421 /nfs/dbraw/zinc/32/34/21/143323421.db2.gz LVNDAUBGNZWYSA-MOPGFXCFSA-N 2 1 346.519 1.999 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000347454552 143323422 /nfs/dbraw/zinc/32/34/22/143323422.db2.gz LVNDAUBGNZWYSA-MOPGFXCFSA-N 2 1 346.519 1.999 20 0 EDADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)CCCC[NH+]1CCOCC1 ZINC000347464026 143324738 /nfs/dbraw/zinc/32/47/38/143324738.db2.gz WMKXJQUIYKQRKF-UHFFFAOYSA-N 2 1 348.491 1.474 20 0 EDADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000347490069 143328032 /nfs/dbraw/zinc/32/80/32/143328032.db2.gz BJBYESMBKVVSRL-CABCVRRESA-N 2 1 333.480 1.865 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000347490069 143328033 /nfs/dbraw/zinc/32/80/33/143328033.db2.gz BJBYESMBKVVSRL-CABCVRRESA-N 2 1 333.480 1.865 20 0 EDADMP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC000347722056 143354558 /nfs/dbraw/zinc/35/45/58/143354558.db2.gz VMUUUUKDOVIWMW-CVEARBPZSA-N 2 1 343.475 1.142 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000347825955 143367645 /nfs/dbraw/zinc/36/76/45/143367645.db2.gz NAIKVUAOKQSNIZ-WMLDXEAASA-N 2 1 334.464 1.355 20 0 EDADMP CC[N@H+]1CCCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000369777515 155172615 /nfs/dbraw/zinc/17/26/15/155172615.db2.gz KBIZOAXINPCSHM-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000416788019 304349207 /nfs/dbraw/zinc/34/92/07/304349207.db2.gz HKNTWRFJUNXQDZ-SJORKVTESA-N 2 1 338.496 1.272 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccco1 ZINC000416820422 304350129 /nfs/dbraw/zinc/35/01/29/304350129.db2.gz UCLLSFIPOPHVSX-JKSUJKDBSA-N 2 1 334.464 1.913 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)[NH+](C)C ZINC000416859102 304352436 /nfs/dbraw/zinc/35/24/36/304352436.db2.gz ZLNIARCXOYLERP-DZKIICNBSA-N 2 1 334.464 1.690 20 0 EDADMP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(C(C)C)CC1 ZINC000352609556 149084950 /nfs/dbraw/zinc/08/49/50/149084950.db2.gz ISYFEUQRNOZDMR-MRXNPFEDSA-N 2 1 349.479 1.036 20 0 EDADMP CCNC(=O)NC(=O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000369904558 155223717 /nfs/dbraw/zinc/22/37/17/155223717.db2.gz NIOGIALVAQJXOW-WBVHZDCISA-N 2 1 346.475 1.675 20 0 EDADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352695270 149119864 /nfs/dbraw/zinc/11/98/64/149119864.db2.gz VRSBTHFSCWGUIO-LJQANCHMSA-N 2 1 339.487 1.969 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000352780202 149161968 /nfs/dbraw/zinc/16/19/68/149161968.db2.gz OEAAOEZPNQNRQR-ZWKOTPCHSA-N 2 1 344.503 1.750 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@](C)(CO)C(C)C)CC1 ZINC000352908380 149211873 /nfs/dbraw/zinc/21/18/73/149211873.db2.gz GXPPSSAIUNINFN-HXUWFJFHSA-N 2 1 347.503 1.636 20 0 EDADMP CN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921726 149215305 /nfs/dbraw/zinc/21/53/05/149215305.db2.gz KWOBAAHMPOOZAI-VQTPCSAVSA-N 2 1 335.492 1.713 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000353090078 149282523 /nfs/dbraw/zinc/28/25/23/149282523.db2.gz RTGCXWHYPQCTAV-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000353099534 149285852 /nfs/dbraw/zinc/28/58/52/149285852.db2.gz WEGFHSLCKHBJLP-HZPDHXFCSA-N 2 1 338.496 1.148 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000416969064 304357254 /nfs/dbraw/zinc/35/72/54/304357254.db2.gz KAJKPRJWXBDQTO-QGZVFWFLSA-N 2 1 334.464 1.396 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)nc3)[C@H]2C1 ZINC000355366403 150236032 /nfs/dbraw/zinc/23/60/32/150236032.db2.gz NBDITPROHKNTHM-IRXDYDNUSA-N 2 1 332.448 1.078 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@H]2C1 ZINC000355381325 150244577 /nfs/dbraw/zinc/24/45/77/150244577.db2.gz HICZMGGTFOFKFE-BZSNNMDCSA-N 2 1 335.492 1.715 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@H]2C1 ZINC000355381325 150244581 /nfs/dbraw/zinc/24/45/81/150244581.db2.gz HICZMGGTFOFKFE-BZSNNMDCSA-N 2 1 335.492 1.715 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@H]2C1 ZINC000355381325 150244583 /nfs/dbraw/zinc/24/45/83/150244583.db2.gz HICZMGGTFOFKFE-BZSNNMDCSA-N 2 1 335.492 1.715 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](O)Cc1ccccc1 ZINC000355437154 150266684 /nfs/dbraw/zinc/26/66/84/150266684.db2.gz BNECNEYAROUKLM-OALUTQOASA-N 2 1 347.503 1.465 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417030136 304362592 /nfs/dbraw/zinc/36/25/92/304362592.db2.gz AJRCCHDHEWJBAD-IAGOWNOFSA-N 2 1 347.507 1.624 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417049327 304366713 /nfs/dbraw/zinc/36/67/13/304366713.db2.gz ZOWSQWRRKMXDTQ-SJORKVTESA-N 2 1 345.491 1.200 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000358073263 151259542 /nfs/dbraw/zinc/25/95/42/151259542.db2.gz BKMSVTMXJAEZMX-HKUYNNGSSA-N 2 1 331.460 1.224 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000358073263 151259545 /nfs/dbraw/zinc/25/95/45/151259545.db2.gz BKMSVTMXJAEZMX-HKUYNNGSSA-N 2 1 331.460 1.224 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000358073263 151259548 /nfs/dbraw/zinc/25/95/48/151259548.db2.gz BKMSVTMXJAEZMX-HKUYNNGSSA-N 2 1 331.460 1.224 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000358120016 151278723 /nfs/dbraw/zinc/27/87/23/151278723.db2.gz ZRAHZOJNGQSMNS-HZPDHXFCSA-N 2 1 340.512 1.023 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000358120016 151278724 /nfs/dbraw/zinc/27/87/24/151278724.db2.gz ZRAHZOJNGQSMNS-HZPDHXFCSA-N 2 1 340.512 1.023 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000358120016 151278726 /nfs/dbraw/zinc/27/87/26/151278726.db2.gz ZRAHZOJNGQSMNS-HZPDHXFCSA-N 2 1 340.512 1.023 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC2)c1 ZINC000358128956 151282410 /nfs/dbraw/zinc/28/24/10/151282410.db2.gz DETRHRBZEWEAJL-MRXNPFEDSA-N 2 1 333.480 1.950 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC2)c1 ZINC000358128956 151282411 /nfs/dbraw/zinc/28/24/11/151282411.db2.gz DETRHRBZEWEAJL-MRXNPFEDSA-N 2 1 333.480 1.950 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000358311147 151333448 /nfs/dbraw/zinc/33/34/48/151333448.db2.gz KMGHVGSOZZQUMB-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000358311147 151333449 /nfs/dbraw/zinc/33/34/49/151333449.db2.gz KMGHVGSOZZQUMB-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000358311147 151333451 /nfs/dbraw/zinc/33/34/51/151333451.db2.gz KMGHVGSOZZQUMB-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000358311147 151333453 /nfs/dbraw/zinc/33/34/53/151333453.db2.gz KMGHVGSOZZQUMB-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CCOc1cccc(CNC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358497547 151395153 /nfs/dbraw/zinc/39/51/53/151395153.db2.gz BQXOOAQVCCBQIH-UHFFFAOYSA-N 2 1 331.460 1.777 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C2(N3CCOCC3)CCC2)C1 ZINC000360345503 152001549 /nfs/dbraw/zinc/00/15/49/152001549.db2.gz VVFZONGPJSQADW-QGZVFWFLSA-N 2 1 335.492 1.432 20 0 EDADMP CSC1(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC[NH+](C)CC1 ZINC000360692693 152155960 /nfs/dbraw/zinc/15/59/60/152155960.db2.gz JKVPPHJFOAOKPY-GJZGRUSLSA-N 2 1 340.537 1.692 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000360742688 152180651 /nfs/dbraw/zinc/18/06/51/152180651.db2.gz ACXIGJCHLMORFR-MRXNPFEDSA-N 2 1 328.526 1.549 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000361017060 152280840 /nfs/dbraw/zinc/28/08/40/152280840.db2.gz LJSZUOLTIMWXFQ-DZGCQCFKSA-N 2 1 342.447 1.549 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000361017060 152280842 /nfs/dbraw/zinc/28/08/42/152280842.db2.gz LJSZUOLTIMWXFQ-DZGCQCFKSA-N 2 1 342.447 1.549 20 0 EDADMP CC[NH+]1CCC([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000361026679 152282499 /nfs/dbraw/zinc/28/24/99/152282499.db2.gz UKLVZJZLFKLBSU-UHFFFAOYSA-N 2 1 337.489 1.800 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[NH+]1CCCCC1 ZINC000364008443 153121255 /nfs/dbraw/zinc/12/12/55/153121255.db2.gz ISIHYTCLQRIENB-OKZBNKHCSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000364382887 153222951 /nfs/dbraw/zinc/22/29/51/153222951.db2.gz POLGGRGPBLJDKR-ZFWWWQNUSA-N 2 1 348.472 1.799 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364740305 153319881 /nfs/dbraw/zinc/31/98/81/153319881.db2.gz QUZHXPDFRLNXGG-JKSUJKDBSA-N 2 1 331.460 1.984 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3CC[NH+](C)[C@H]3C2)C1 ZINC000364927148 153371466 /nfs/dbraw/zinc/37/14/66/153371466.db2.gz WEMSVNFAROLBRZ-BBWFWOEESA-N 2 1 338.496 1.079 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[NH+]2CCC1CC2)Cc1ccc(F)cc1 ZINC000367073023 154000317 /nfs/dbraw/zinc/00/03/17/154000317.db2.gz IJDRGNYRAOHQIO-UHFFFAOYSA-N 2 1 334.439 1.747 20 0 EDADMP CN(C)S(=O)(=O)CCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367137703 154019927 /nfs/dbraw/zinc/01/99/27/154019927.db2.gz KJMCWZFXGOCXLR-CQSZACIVSA-N 2 1 340.493 1.290 20 0 EDADMP C[C@H](O)c1ncc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000367301407 154071395 /nfs/dbraw/zinc/07/13/95/154071395.db2.gz QZYDNBCGGWJIIK-ZDUSSCGKSA-N 2 1 325.478 1.741 20 0 EDADMP COCC[N@H+]1[C@H](C)CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H]1C ZINC000367593509 154191627 /nfs/dbraw/zinc/19/16/27/154191627.db2.gz HIZQLJZJUAXQFL-OLQSNFDLSA-N 2 1 337.508 1.708 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H]1C ZINC000367593509 154191632 /nfs/dbraw/zinc/19/16/32/154191632.db2.gz HIZQLJZJUAXQFL-OLQSNFDLSA-N 2 1 337.508 1.708 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367623894 154202628 /nfs/dbraw/zinc/20/26/28/154202628.db2.gz RVLKZKWJHSKEAA-BZSNNMDCSA-N 2 1 338.540 1.639 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367623894 154202633 /nfs/dbraw/zinc/20/26/33/154202633.db2.gz RVLKZKWJHSKEAA-BZSNNMDCSA-N 2 1 338.540 1.639 20 0 EDADMP O[C@H](COCC(F)(F)F)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367927660 154330946 /nfs/dbraw/zinc/33/09/46/154330946.db2.gz QGIINVOVYVHRHL-VHDGCEQUSA-N 2 1 336.398 1.875 20 0 EDADMP O[C@H](COCC(F)(F)F)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000367927660 154330951 /nfs/dbraw/zinc/33/09/51/154330951.db2.gz QGIINVOVYVHRHL-VHDGCEQUSA-N 2 1 336.398 1.875 20 0 EDADMP O[C@H](COCC(F)(F)F)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000367927660 154330955 /nfs/dbraw/zinc/33/09/55/154330955.db2.gz QGIINVOVYVHRHL-VHDGCEQUSA-N 2 1 336.398 1.875 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1)C(C)C ZINC000367941335 154336740 /nfs/dbraw/zinc/33/67/40/154336740.db2.gz KBFMWXCSIVTELC-UHFFFAOYSA-N 2 1 349.523 1.960 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1)C(C)C ZINC000367941335 154336744 /nfs/dbraw/zinc/33/67/44/154336744.db2.gz KBFMWXCSIVTELC-UHFFFAOYSA-N 2 1 349.523 1.960 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000417345477 304393490 /nfs/dbraw/zinc/39/34/90/304393490.db2.gz ULHLOCRZXQJBJN-LZQZEXGQSA-N 2 1 342.487 1.969 20 0 EDADMP CC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000369455420 155042683 /nfs/dbraw/zinc/04/26/83/155042683.db2.gz JSXNGSZBCBFZMA-DOTOQJQBSA-N 2 1 333.480 1.543 20 0 EDADMP CC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000369455420 155042686 /nfs/dbraw/zinc/04/26/86/155042686.db2.gz JSXNGSZBCBFZMA-DOTOQJQBSA-N 2 1 333.480 1.543 20 0 EDADMP CC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000369455420 155042688 /nfs/dbraw/zinc/04/26/88/155042688.db2.gz JSXNGSZBCBFZMA-DOTOQJQBSA-N 2 1 333.480 1.543 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@@H]1C ZINC000369547210 155081828 /nfs/dbraw/zinc/08/18/28/155081828.db2.gz RQJIJJZDJHNDNV-NJINODPHSA-N 2 1 338.496 1.100 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000371598339 156024095 /nfs/dbraw/zinc/02/40/95/156024095.db2.gz GMXZWAXBWMCMBJ-ROUUACIJSA-N 2 1 345.491 1.687 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000371598339 156024097 /nfs/dbraw/zinc/02/40/97/156024097.db2.gz GMXZWAXBWMCMBJ-ROUUACIJSA-N 2 1 345.491 1.687 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000371598339 156024098 /nfs/dbraw/zinc/02/40/98/156024098.db2.gz GMXZWAXBWMCMBJ-ROUUACIJSA-N 2 1 345.491 1.687 20 0 EDADMP C[C@H](NC(=O)C1(N2CCN(C)CC2)CCCC1)C1=CC[N@@H+](C)CC1 ZINC000371652716 156045634 /nfs/dbraw/zinc/04/56/34/156045634.db2.gz ZDXPRBJGJDVOBH-INIZCTEOSA-N 2 1 334.508 1.313 20 0 EDADMP C[C@H](NC(=O)C1([NH+]2CCN(C)CC2)CCCC1)C1=CC[N@H+](C)CC1 ZINC000371652716 156045640 /nfs/dbraw/zinc/04/56/40/156045640.db2.gz ZDXPRBJGJDVOBH-INIZCTEOSA-N 2 1 334.508 1.313 20 0 EDADMP C[C@H](NC(=O)C1([NH+]2CCN(C)CC2)CCCC1)C1=CC[N@@H+](C)CC1 ZINC000371652716 156045645 /nfs/dbraw/zinc/04/56/45/156045645.db2.gz ZDXPRBJGJDVOBH-INIZCTEOSA-N 2 1 334.508 1.313 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)C[N@@H+]1C1CC1 ZINC000371891053 156153600 /nfs/dbraw/zinc/15/36/00/156153600.db2.gz BOMUASQCSBIOLF-JKSUJKDBSA-N 2 1 334.508 1.288 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)C[N@H+]1C1CC1 ZINC000371891053 156153603 /nfs/dbraw/zinc/15/36/03/156153603.db2.gz BOMUASQCSBIOLF-JKSUJKDBSA-N 2 1 334.508 1.288 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000373038787 292337620 /nfs/dbraw/zinc/33/76/20/292337620.db2.gz WRMJZQAKKWARAU-KRWDZBQOSA-N 2 1 325.497 1.868 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000373038787 292337621 /nfs/dbraw/zinc/33/76/21/292337621.db2.gz WRMJZQAKKWARAU-KRWDZBQOSA-N 2 1 325.497 1.868 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000373038787 292337623 /nfs/dbraw/zinc/33/76/23/292337623.db2.gz WRMJZQAKKWARAU-KRWDZBQOSA-N 2 1 325.497 1.868 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000574974533 306661244 /nfs/dbraw/zinc/66/12/44/306661244.db2.gz AEOWLNLXNZWXRG-IKGGRYGDSA-N 2 1 338.496 1.413 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000458229821 292349269 /nfs/dbraw/zinc/34/92/69/292349269.db2.gz FXOUOCCZVPLKHN-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C3CCOCC3)C2)CC1 ZINC000374357843 157259094 /nfs/dbraw/zinc/25/90/94/157259094.db2.gz LJSSMFKXTSNFJV-KRWDZBQOSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3cccc(=O)[nH]3)CC2)CC1 ZINC000374636558 157352207 /nfs/dbraw/zinc/35/22/07/157352207.db2.gz NJLAUQQAEPLWLX-UHFFFAOYSA-N 2 1 346.475 1.713 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CC(F)(F)C[NH3+] ZINC000575931244 306674014 /nfs/dbraw/zinc/67/40/14/306674014.db2.gz KDKBJCDMDXBXMD-UHFFFAOYSA-N 2 1 335.345 1.839 20 0 EDADMP CC(C)OC[C@H](O)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000378433292 158171314 /nfs/dbraw/zinc/17/13/14/158171314.db2.gz QECXTIAZCYWRBB-LJQANCHMSA-N 2 1 335.492 1.806 20 0 EDADMP CC(C)OC[C@H](O)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000378433292 158171316 /nfs/dbraw/zinc/17/13/16/158171316.db2.gz QECXTIAZCYWRBB-LJQANCHMSA-N 2 1 335.492 1.806 20 0 EDADMP CN(CC[NH3+])C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000417898027 304428134 /nfs/dbraw/zinc/42/81/34/304428134.db2.gz JHGFSPBHPYYSAX-UHFFFAOYSA-N 2 1 339.871 1.062 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000352207775 162050732 /nfs/dbraw/zinc/05/07/32/162050732.db2.gz CWYWPRLVLXTJBR-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000352267315 162084777 /nfs/dbraw/zinc/08/47/77/162084777.db2.gz SKZAYNHLKBTGSE-MRXNPFEDSA-N 2 1 331.526 1.512 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2ccccc2)C(C)(C)CO)CC1 ZINC000352355865 162137056 /nfs/dbraw/zinc/13/70/56/162137056.db2.gz FIAVQTLYKXEJBZ-SFHVURJKSA-N 2 1 333.476 1.500 20 0 EDADMP c1ccc2c(NC[C@@]3([NH+]4CCOCC4)CCCOC3)cc[nH+]c2c1 ZINC000364437517 162329203 /nfs/dbraw/zinc/32/92/03/162329203.db2.gz LSAFERBOTMTWAU-IBGZPJMESA-N 2 1 327.428 1.950 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000121169462 287368743 /nfs/dbraw/zinc/36/87/43/287368743.db2.gz UAHBGARIARBYTL-OAHLLOKOSA-N 2 1 328.501 1.326 20 0 EDADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000123002307 287385010 /nfs/dbraw/zinc/38/50/10/287385010.db2.gz JVDQNXFCZXOUEH-HOTGVXAUSA-N 2 1 341.496 1.869 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000122139147 222023576 /nfs/dbraw/zinc/02/35/76/222023576.db2.gz FIIZKPOYAUGJBB-HNNXBMFYSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000123282271 222249271 /nfs/dbraw/zinc/24/92/71/222249271.db2.gz AUWUSACXYIHERJ-PBHICJAKSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)[NH+]1CCSCC1 ZINC000132607882 287527663 /nfs/dbraw/zinc/52/76/63/287527663.db2.gz SYLXMCVIHFJFOD-OAHLLOKOSA-N 2 1 343.537 1.383 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC000418466701 304498810 /nfs/dbraw/zinc/49/88/10/304498810.db2.gz ODFMUDFTJHCJRH-OAGGEKHMSA-N 2 1 326.485 1.256 20 0 EDADMP COCC[NH2+]CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000237254704 273008627 /nfs/dbraw/zinc/00/86/27/273008627.db2.gz ODTBNRNSWQMSKW-GASCZTMLSA-N 2 1 335.448 1.470 20 0 EDADMP COCC[NH2+]CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000237254704 273008628 /nfs/dbraw/zinc/00/86/28/273008628.db2.gz ODTBNRNSWQMSKW-GASCZTMLSA-N 2 1 335.448 1.470 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000248609235 273016416 /nfs/dbraw/zinc/01/64/16/273016416.db2.gz KNXBQEWPGUDJOA-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)[N@H+](C)Cc1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000273733853 268079737 /nfs/dbraw/zinc/07/97/37/268079737.db2.gz AGNXTXROSZYUMS-UHFFFAOYSA-N 2 1 330.436 1.724 20 0 EDADMP CC(C)[N@@H+](C)Cc1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000273733853 268079739 /nfs/dbraw/zinc/07/97/39/268079739.db2.gz AGNXTXROSZYUMS-UHFFFAOYSA-N 2 1 330.436 1.724 20 0 EDADMP CC[C@@]1(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]1 ZINC000274618479 268169649 /nfs/dbraw/zinc/16/96/49/268169649.db2.gz OYYXWIIDQKXALC-XLIONFOSSA-N 2 1 344.503 1.846 20 0 EDADMP CC[C@]1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCC[NH2+]1 ZINC000274628211 268171976 /nfs/dbraw/zinc/17/19/76/268171976.db2.gz QWKJDFGWIATIMZ-LJQANCHMSA-N 2 1 345.491 1.242 20 0 EDADMP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000274813453 268212503 /nfs/dbraw/zinc/21/25/03/268212503.db2.gz NHANWYQWXVEBRM-UHFFFAOYSA-N 2 1 331.464 1.608 20 0 EDADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H](O)Cn3cccn3)C1)CCCC2 ZINC000275209737 268299881 /nfs/dbraw/zinc/29/98/81/268299881.db2.gz ATDJHOXQIWDTDL-CVEARBPZSA-N 2 1 329.448 1.575 20 0 EDADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H](O)Cn3cccn3)C1)CCCC2 ZINC000275209737 268299882 /nfs/dbraw/zinc/29/98/82/268299882.db2.gz ATDJHOXQIWDTDL-CVEARBPZSA-N 2 1 329.448 1.575 20 0 EDADMP COCCN(C)c1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC000276668432 268459198 /nfs/dbraw/zinc/45/91/98/268459198.db2.gz YBIUTDSXADYDDA-MRXNPFEDSA-N 2 1 329.448 1.713 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2)C1 ZINC000277404107 268547724 /nfs/dbraw/zinc/54/77/24/268547724.db2.gz FCADCBABZULJSI-JLJPHGGASA-N 2 1 333.432 1.069 20 0 EDADMP CC(C)S(=O)(=O)N1CCC([NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000273566047 273045299 /nfs/dbraw/zinc/04/52/99/273045299.db2.gz FRYSVBVGWMLHMZ-UHFFFAOYSA-N 2 1 340.493 1.440 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000277267855 273185241 /nfs/dbraw/zinc/18/52/41/273185241.db2.gz MFEPWMKZNPWIPS-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000277267855 273185242 /nfs/dbraw/zinc/18/52/42/273185242.db2.gz MFEPWMKZNPWIPS-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ncc(F)cc1F ZINC000277466956 273201499 /nfs/dbraw/zinc/20/14/99/273201499.db2.gz IEDPZJSSCTYTNJ-CQSZACIVSA-N 2 1 340.418 1.848 20 0 EDADMP CCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000262140599 276023885 /nfs/dbraw/zinc/02/38/85/276023885.db2.gz LYQFSQUIQNRTRQ-MSOLQXFVSA-N 2 1 332.492 1.609 20 0 EDADMP CCC[C@@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000262140599 276023887 /nfs/dbraw/zinc/02/38/87/276023887.db2.gz LYQFSQUIQNRTRQ-MSOLQXFVSA-N 2 1 332.492 1.609 20 0 EDADMP CCC[C@@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000262140599 276023889 /nfs/dbraw/zinc/02/38/89/276023889.db2.gz LYQFSQUIQNRTRQ-MSOLQXFVSA-N 2 1 332.492 1.609 20 0 EDADMP CC[N@H+](CCNC(=O)NCC[NH+]1CCc2sccc2C1)C1CC1 ZINC000101989999 276127365 /nfs/dbraw/zinc/12/73/65/276127365.db2.gz GMNZUICWBLFOGX-UHFFFAOYSA-N 2 1 336.505 1.890 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC[NH+]1CCc2sccc2C1)C1CC1 ZINC000101989999 276127366 /nfs/dbraw/zinc/12/73/66/276127366.db2.gz GMNZUICWBLFOGX-UHFFFAOYSA-N 2 1 336.505 1.890 20 0 EDADMP CC[NH+](CCNC(=O)NCC[N@@H+]1CCc2sccc2C1)C1CC1 ZINC000101989999 276127367 /nfs/dbraw/zinc/12/73/67/276127367.db2.gz GMNZUICWBLFOGX-UHFFFAOYSA-N 2 1 336.505 1.890 20 0 EDADMP CC[NH+](CCNC(=O)NCC[N@H+]1CCc2sccc2C1)C1CC1 ZINC000101989999 276127368 /nfs/dbraw/zinc/12/73/68/276127368.db2.gz GMNZUICWBLFOGX-UHFFFAOYSA-N 2 1 336.505 1.890 20 0 EDADMP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000420304078 276299832 /nfs/dbraw/zinc/29/98/32/276299832.db2.gz INSJDQIVYYWOMS-UAGQMJEPSA-N 2 1 345.443 1.861 20 0 EDADMP CCOC(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000420304078 276299833 /nfs/dbraw/zinc/29/98/33/276299833.db2.gz INSJDQIVYYWOMS-UAGQMJEPSA-N 2 1 345.443 1.861 20 0 EDADMP C[C@@H](CS(C)(=O)=O)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165276 452765020 /nfs/dbraw/zinc/76/50/20/452765020.db2.gz HSDFXIANCSGDQI-AWEZNQCLSA-N 2 1 325.478 1.316 20 0 EDADMP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000352550124 278116871 /nfs/dbraw/zinc/11/68/71/278116871.db2.gz KJBBBXUMHCYEDP-ARFHVFGLSA-N 2 1 332.510 1.169 20 0 EDADMP CS[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C[C@H]1[NH+]1CCCC1 ZINC000361626665 278148720 /nfs/dbraw/zinc/14/87/20/278148720.db2.gz XZMJZWXUYCISBZ-RBSFLKMASA-N 2 1 343.562 1.462 20 0 EDADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000424045066 278351390 /nfs/dbraw/zinc/35/13/90/278351390.db2.gz STYMWPMLZFXEFO-MSOLQXFVSA-N 2 1 349.519 1.866 20 0 EDADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1(C(=O)OC)CCC1 ZINC000353532214 288038476 /nfs/dbraw/zinc/03/84/76/288038476.db2.gz CBCOLWRATXBKEC-KRWDZBQOSA-N 2 1 339.524 1.972 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH2+]C)c1cnn(C)c1)c1ccsc1 ZINC000262329252 279147014 /nfs/dbraw/zinc/14/70/14/279147014.db2.gz GMKXENKGAALEFI-JKSUJKDBSA-N 2 1 349.504 1.941 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352661759 279229848 /nfs/dbraw/zinc/22/98/48/279229848.db2.gz UYWDPSHCOHZHAY-OWYHZJEWSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)[C@@H]1CCC[C@@H]1O ZINC000352661759 279229850 /nfs/dbraw/zinc/22/98/50/279229850.db2.gz UYWDPSHCOHZHAY-OWYHZJEWSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)[C@@H]1CCC[C@@H]1O ZINC000352661759 279229851 /nfs/dbraw/zinc/22/98/51/279229851.db2.gz UYWDPSHCOHZHAY-OWYHZJEWSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000341917883 279315786 /nfs/dbraw/zinc/31/57/86/279315786.db2.gz FPUSNUJTALZGSK-ZHALLVOQSA-N 2 1 345.487 1.906 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000353450595 288189993 /nfs/dbraw/zinc/18/99/93/288189993.db2.gz ORXICOVLKNNYMF-HAYURNKSSA-N 2 1 349.519 1.722 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000353450595 288189996 /nfs/dbraw/zinc/18/99/96/288189996.db2.gz ORXICOVLKNNYMF-HAYURNKSSA-N 2 1 349.519 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000365146731 288201870 /nfs/dbraw/zinc/20/18/70/288201870.db2.gz OHXJKQSQLJXKBU-HLLBOEOZSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000365146731 288201872 /nfs/dbraw/zinc/20/18/72/288201872.db2.gz OHXJKQSQLJXKBU-HLLBOEOZSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000287563978 288266599 /nfs/dbraw/zinc/26/65/99/288266599.db2.gz VGNSRDYGEUJGTI-RYQLBKOJSA-N 2 1 348.491 1.698 20 0 EDADMP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](O)c1ccccc1 ZINC000288566434 288516010 /nfs/dbraw/zinc/51/60/10/288516010.db2.gz MRVQGQWWFOJSFP-YJBOKZPZSA-N 2 1 341.459 1.440 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3CC[NH2+][C@@H]3C(C)C)CC2)nc(C)[nH+]1 ZINC000290301247 288875311 /nfs/dbraw/zinc/87/53/11/288875311.db2.gz FBGSINYFIMISPB-FUHWJXTLSA-N 2 1 345.491 1.813 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)C2 ZINC000290565802 288917466 /nfs/dbraw/zinc/91/74/66/288917466.db2.gz YZHJJXHBJQSPGG-OAHLLOKOSA-N 2 1 330.432 1.937 20 0 EDADMP CC[NH+](C)CCNC(=O)c1cc(C)cc(C(=O)NCC[N@H+](C)CC)c1 ZINC000291955612 289224942 /nfs/dbraw/zinc/22/49/42/289224942.db2.gz OMCODWNBFCEUTD-UHFFFAOYSA-N 2 1 348.491 1.358 20 0 EDADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)s1 ZINC000352756912 289226779 /nfs/dbraw/zinc/22/67/79/289226779.db2.gz SHKOPJWXLGFBPH-AAEUAGOBSA-N 2 1 346.522 1.012 20 0 EDADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)COc3cccc4[nH]ccc43)C2)C1 ZINC000292131785 289269220 /nfs/dbraw/zinc/26/92/20/289269220.db2.gz LHLWBZFOLQJFHJ-KXBFYZLASA-N 2 1 329.444 1.935 20 0 EDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)COc3cccc4[nH]ccc43)C2)C1 ZINC000292131785 289269221 /nfs/dbraw/zinc/26/92/21/289269221.db2.gz LHLWBZFOLQJFHJ-KXBFYZLASA-N 2 1 329.444 1.935 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)COc3cccc4[nH]ccc43)C2)C1 ZINC000292131785 289269224 /nfs/dbraw/zinc/26/92/24/289269224.db2.gz LHLWBZFOLQJFHJ-KXBFYZLASA-N 2 1 329.444 1.935 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)COc3cccc4[nH]ccc43)C2)C1 ZINC000292131785 289269226 /nfs/dbraw/zinc/26/92/26/289269226.db2.gz LHLWBZFOLQJFHJ-KXBFYZLASA-N 2 1 329.444 1.935 20 0 EDADMP C[C@H](C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)[NH+]1CCSCC1 ZINC000344586230 289292412 /nfs/dbraw/zinc/29/24/12/289292412.db2.gz BBWYLOAUIBQAOU-QKPAOTATSA-N 2 1 341.521 1.134 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1cncnc1 ZINC000292301175 289310768 /nfs/dbraw/zinc/31/07/68/289310768.db2.gz PZGSTWRXFCXOFZ-QGZVFWFLSA-N 2 1 333.480 1.284 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC12CCOCC2 ZINC000420330103 295260323 /nfs/dbraw/zinc/26/03/23/295260323.db2.gz PKRNIXKOJNPUKJ-KURKYZTESA-N 2 1 349.519 1.855 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC12CCOCC2 ZINC000420330103 295260324 /nfs/dbraw/zinc/26/03/24/295260324.db2.gz PKRNIXKOJNPUKJ-KURKYZTESA-N 2 1 349.519 1.855 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000418686298 297257947 /nfs/dbraw/zinc/25/79/47/297257947.db2.gz ORLUOBBSQGWZFT-LAVFITLUSA-N 2 1 330.476 1.866 20 0 EDADMP C[C@@H](CCCC[NH3+])NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000418697295 304529574 /nfs/dbraw/zinc/52/95/74/304529574.db2.gz NDMIDKJXGYIQIM-HOTGVXAUSA-N 2 1 326.485 1.400 20 0 EDADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000294624379 303129803 /nfs/dbraw/zinc/12/98/03/303129803.db2.gz KWWTXEQHARJJGI-VQIMIIECSA-N 2 1 345.487 1.810 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC000294773953 303145798 /nfs/dbraw/zinc/14/57/98/303145798.db2.gz AEDSOWJSLVLWAB-HNNXBMFYSA-N 2 1 327.432 1.975 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000294773953 303145800 /nfs/dbraw/zinc/14/58/00/303145800.db2.gz AEDSOWJSLVLWAB-HNNXBMFYSA-N 2 1 327.432 1.975 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000294773953 303145802 /nfs/dbraw/zinc/14/58/02/303145802.db2.gz AEDSOWJSLVLWAB-HNNXBMFYSA-N 2 1 327.432 1.975 20 0 EDADMP CC[N@H+]1CC[C@@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000294902873 303153468 /nfs/dbraw/zinc/15/34/68/303153468.db2.gz FRGNJXBCKQCUBP-PWIZWCRZSA-N 2 1 331.504 1.726 20 0 EDADMP CC[NH+]1CC[C@@H](NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000294902873 303153469 /nfs/dbraw/zinc/15/34/69/303153469.db2.gz FRGNJXBCKQCUBP-PWIZWCRZSA-N 2 1 331.504 1.726 20 0 EDADMP CC[NH+]1CC[C@@H](NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000294902873 303153471 /nfs/dbraw/zinc/15/34/71/303153471.db2.gz FRGNJXBCKQCUBP-PWIZWCRZSA-N 2 1 331.504 1.726 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000294902873 303153472 /nfs/dbraw/zinc/15/34/72/303153472.db2.gz FRGNJXBCKQCUBP-PWIZWCRZSA-N 2 1 331.504 1.726 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000294902873 303153474 /nfs/dbraw/zinc/15/34/74/303153474.db2.gz FRGNJXBCKQCUBP-PWIZWCRZSA-N 3 1 331.504 1.726 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000377743053 447332409 /nfs/dbraw/zinc/33/24/09/447332409.db2.gz LHEHCHVZVLBLHZ-INIZCTEOSA-N 2 1 325.432 1.596 20 0 EDADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000458403002 447347459 /nfs/dbraw/zinc/34/74/59/447347459.db2.gz BWSILSMQJJPRHK-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000458403002 447347463 /nfs/dbraw/zinc/34/74/63/447347463.db2.gz BWSILSMQJJPRHK-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC(=O)NCc1ccccc1 ZINC000428028559 305004256 /nfs/dbraw/zinc/00/42/56/305004256.db2.gz APELMGLNPACXOZ-HOTGVXAUSA-N 2 1 330.432 1.086 20 0 EDADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC(=O)NCc1ccccc1 ZINC000428028559 305004257 /nfs/dbraw/zinc/00/42/57/305004257.db2.gz APELMGLNPACXOZ-HOTGVXAUSA-N 2 1 330.432 1.086 20 0 EDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)N3CCOc4ccccc43)C2)C1 ZINC000429006808 305022335 /nfs/dbraw/zinc/02/23/35/305022335.db2.gz NQYOOEDINDSVOT-LJQANCHMSA-N 2 1 329.444 1.830 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)N3CCOc4ccccc43)C2)C1 ZINC000429006808 305022336 /nfs/dbraw/zinc/02/23/36/305022336.db2.gz NQYOOEDINDSVOT-LJQANCHMSA-N 2 1 329.444 1.830 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)N3CCOc4ccccc43)C2)C1 ZINC000429006808 305022337 /nfs/dbraw/zinc/02/23/37/305022337.db2.gz NQYOOEDINDSVOT-LJQANCHMSA-N 2 1 329.444 1.830 20 0 EDADMP C[C@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@H]1CN ZINC000430569950 305056303 /nfs/dbraw/zinc/05/63/03/305056303.db2.gz YCULUYMQYLSFIG-HOCLYGCPSA-N 2 1 332.448 1.462 20 0 EDADMP C[C@H]1CCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@H]1CN ZINC000430569950 305056304 /nfs/dbraw/zinc/05/63/04/305056304.db2.gz YCULUYMQYLSFIG-HOCLYGCPSA-N 2 1 332.448 1.462 20 0 EDADMP C[C@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@H]1C[NH3+] ZINC000430569950 305056305 /nfs/dbraw/zinc/05/63/05/305056305.db2.gz YCULUYMQYLSFIG-HOCLYGCPSA-N 2 1 332.448 1.462 20 0 EDADMP C[C@H]1CCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@H]1C[NH3+] ZINC000430569950 305056306 /nfs/dbraw/zinc/05/63/06/305056306.db2.gz YCULUYMQYLSFIG-HOCLYGCPSA-N 2 1 332.448 1.462 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000430597404 305057661 /nfs/dbraw/zinc/05/76/61/305057661.db2.gz LTHBXRNUBQNYOM-OLZOCXBDSA-N 2 1 325.403 1.683 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000430597404 305057662 /nfs/dbraw/zinc/05/76/62/305057662.db2.gz LTHBXRNUBQNYOM-OLZOCXBDSA-N 2 1 325.403 1.683 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(C)(C)C[NH3+])C[C@H](C)O1 ZINC000430692593 305062553 /nfs/dbraw/zinc/06/25/53/305062553.db2.gz TUSQLDCVVZAYAS-GASCZTMLSA-N 2 1 333.476 1.897 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(C)(C)C[NH3+])C[C@H](C)O1 ZINC000430692593 305062554 /nfs/dbraw/zinc/06/25/54/305062554.db2.gz TUSQLDCVVZAYAS-GASCZTMLSA-N 2 1 333.476 1.897 20 0 EDADMP COCC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430842588 305065727 /nfs/dbraw/zinc/06/57/27/305065727.db2.gz USUXCHLLTZCIGO-MJGOQNOKSA-N 2 1 331.460 1.393 20 0 EDADMP CCc1ccccc1NC(=O)CNC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430914774 305067729 /nfs/dbraw/zinc/06/77/29/305067729.db2.gz ABPUYUCOKDEMES-CQSZACIVSA-N 2 1 346.475 1.363 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430934999 305069286 /nfs/dbraw/zinc/06/92/86/305069286.db2.gz OUBFEJUTZTYQQR-HKUYNNGSSA-N 2 1 344.503 1.308 20 0 EDADMP C[NH2+]C1CC[NH+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000430952131 305070371 /nfs/dbraw/zinc/07/03/71/305070371.db2.gz ONJJPOHAMFSPFF-UHFFFAOYSA-N 2 1 344.459 1.826 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433452408 305109466 /nfs/dbraw/zinc/10/94/66/305109466.db2.gz GQJXEYPCRXVHDQ-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000434192301 305118786 /nfs/dbraw/zinc/11/87/86/305118786.db2.gz WYXSUQBFOSHJTO-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000434192301 305118787 /nfs/dbraw/zinc/11/87/87/305118787.db2.gz WYXSUQBFOSHJTO-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434192301 305118788 /nfs/dbraw/zinc/11/87/88/305118788.db2.gz WYXSUQBFOSHJTO-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434192301 305118789 /nfs/dbraw/zinc/11/87/89/305118789.db2.gz WYXSUQBFOSHJTO-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000434301444 305120201 /nfs/dbraw/zinc/12/02/01/305120201.db2.gz QGEWQVYOKQCYQW-HOCLYGCPSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000434301444 305120202 /nfs/dbraw/zinc/12/02/02/305120202.db2.gz QGEWQVYOKQCYQW-HOCLYGCPSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434301444 305120203 /nfs/dbraw/zinc/12/02/03/305120203.db2.gz QGEWQVYOKQCYQW-HOCLYGCPSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434301444 305120204 /nfs/dbraw/zinc/12/02/04/305120204.db2.gz QGEWQVYOKQCYQW-HOCLYGCPSA-N 2 1 338.496 1.221 20 0 EDADMP CC[NH+]1CCC([N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000434835345 305131492 /nfs/dbraw/zinc/13/14/92/305131492.db2.gz AVOALCOFZRCTSJ-UHFFFAOYSA-N 2 1 338.374 1.181 20 0 EDADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000434835345 305131493 /nfs/dbraw/zinc/13/14/93/305131493.db2.gz AVOALCOFZRCTSJ-UHFFFAOYSA-N 2 1 338.374 1.181 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435236053 305137540 /nfs/dbraw/zinc/13/75/40/305137540.db2.gz HDUORIMJAZVILA-LJQANCHMSA-N 2 1 342.487 1.157 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000435238046 305137703 /nfs/dbraw/zinc/13/77/03/305137703.db2.gz PIMMSOXQILMRQS-LJQANCHMSA-N 2 1 342.487 1.401 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OCC(=O)NCC1CC1 ZINC000435374165 305139328 /nfs/dbraw/zinc/13/93/28/305139328.db2.gz HNXGHPCADQFDLX-ZBFHGGJFSA-N 2 1 331.460 1.761 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000435393065 305139761 /nfs/dbraw/zinc/13/97/61/305139761.db2.gz YPGMFKTVFOBNHN-JYJNAYRXSA-N 2 1 347.459 1.379 20 0 EDADMP CC[N@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435631075 305144148 /nfs/dbraw/zinc/14/41/48/305144148.db2.gz ZTIZIFUESXILDM-OAHLLOKOSA-N 2 1 348.447 1.807 20 0 EDADMP CC[N@@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435631075 305144149 /nfs/dbraw/zinc/14/41/49/305144149.db2.gz ZTIZIFUESXILDM-OAHLLOKOSA-N 2 1 348.447 1.807 20 0 EDADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436052500 305151328 /nfs/dbraw/zinc/15/13/28/305151328.db2.gz LXHJRLWTJHCLJB-XHSDSOJGSA-N 2 1 338.496 1.095 20 0 EDADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436052500 305151329 /nfs/dbraw/zinc/15/13/29/305151329.db2.gz LXHJRLWTJHCLJB-XHSDSOJGSA-N 2 1 338.496 1.095 20 0 EDADMP Cc1noc(C2CCC([NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)n1 ZINC000438828966 305189817 /nfs/dbraw/zinc/18/98/17/305189817.db2.gz IXRXFRZLWDJKKW-PCKAHOCUSA-N 2 1 349.479 1.581 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000439399618 305197174 /nfs/dbraw/zinc/19/71/74/305197174.db2.gz FAMMBPMMOUDIMY-RDJZCZTQSA-N 2 1 341.496 1.007 20 0 EDADMP CN(C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439608028 305201117 /nfs/dbraw/zinc/20/11/17/305201117.db2.gz WOXIPBFHBYWMLD-QGZVFWFLSA-N 2 1 342.443 1.266 20 0 EDADMP CN(C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000439608028 305201118 /nfs/dbraw/zinc/20/11/18/305201118.db2.gz WOXIPBFHBYWMLD-QGZVFWFLSA-N 2 1 342.443 1.266 20 0 EDADMP CN(C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[C@@H]1CC[NH+](C2CC2)C1 ZINC000439608028 305201119 /nfs/dbraw/zinc/20/11/19/305201119.db2.gz WOXIPBFHBYWMLD-QGZVFWFLSA-N 2 1 342.443 1.266 20 0 EDADMP CN(C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[C@@H]1CC[NH+](C2CC2)C1 ZINC000439608028 305201120 /nfs/dbraw/zinc/20/11/20/305201120.db2.gz WOXIPBFHBYWMLD-QGZVFWFLSA-N 2 1 342.443 1.266 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000440981252 305215643 /nfs/dbraw/zinc/21/56/43/305215643.db2.gz KCJAEDKZIYQMMH-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440981252 305215644 /nfs/dbraw/zinc/21/56/44/305215644.db2.gz KCJAEDKZIYQMMH-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440981252 305215645 /nfs/dbraw/zinc/21/56/45/305215645.db2.gz KCJAEDKZIYQMMH-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP O=c1n2ccccc2nn1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441384480 305221723 /nfs/dbraw/zinc/22/17/23/305221723.db2.gz BMCFURHBKQFRCE-RDJZCZTQSA-N 2 1 341.459 1.445 20 0 EDADMP O=c1n2ccccc2nn1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441384480 305221724 /nfs/dbraw/zinc/22/17/24/305221724.db2.gz BMCFURHBKQFRCE-RDJZCZTQSA-N 2 1 341.459 1.445 20 0 EDADMP O=c1n2ccccc2nn1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441384480 305221725 /nfs/dbraw/zinc/22/17/25/305221725.db2.gz BMCFURHBKQFRCE-RDJZCZTQSA-N 2 1 341.459 1.445 20 0 EDADMP O=c1n2ccccc2nn1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441384480 305221726 /nfs/dbraw/zinc/22/17/26/305221726.db2.gz BMCFURHBKQFRCE-RDJZCZTQSA-N 2 1 341.459 1.445 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000442877395 305230516 /nfs/dbraw/zinc/23/05/16/305230516.db2.gz UAOHFWYBNTYEHA-RISCZKNCSA-N 2 1 347.431 1.173 20 0 EDADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443067442 305234366 /nfs/dbraw/zinc/23/43/66/305234366.db2.gz GQRQCBYRZOSFSW-OLZOCXBDSA-N 2 1 336.411 1.923 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000446615538 305268024 /nfs/dbraw/zinc/26/80/24/305268024.db2.gz OOQNMJKCSKXOCD-CVEARBPZSA-N 2 1 338.496 1.223 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000448142119 305292743 /nfs/dbraw/zinc/29/27/43/305292743.db2.gz JRCDJMXVABGFTI-MRXNPFEDSA-N 2 1 340.512 1.110 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000449711719 305317770 /nfs/dbraw/zinc/31/77/70/305317770.db2.gz PBDLZDAONDULFI-MSOLQXFVSA-N 2 1 331.460 1.393 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000449787291 305319076 /nfs/dbraw/zinc/31/90/76/305319076.db2.gz UMFOCJXFSKJOOZ-KRWDZBQOSA-N 2 1 332.496 1.143 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000449787291 305319077 /nfs/dbraw/zinc/31/90/77/305319077.db2.gz UMFOCJXFSKJOOZ-KRWDZBQOSA-N 2 1 332.496 1.143 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)C(C)(C)O)CC1 ZINC000451362006 305341499 /nfs/dbraw/zinc/34/14/99/305341499.db2.gz OLEJRTTUHKYHNL-SJORKVTESA-N 2 1 347.503 1.983 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)C(C)(C)O)CC1 ZINC000451362006 305341500 /nfs/dbraw/zinc/34/15/00/305341500.db2.gz OLEJRTTUHKYHNL-SJORKVTESA-N 2 1 347.503 1.983 20 0 EDADMP CCO[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000451544684 305352693 /nfs/dbraw/zinc/35/26/93/305352693.db2.gz QFNJIPFZAQMMJD-NVXWUHKLSA-N 2 1 325.497 1.722 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000452349416 305391387 /nfs/dbraw/zinc/39/13/87/305391387.db2.gz MRFBDBHYNQWRLP-RTBURBONSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000452349416 305391388 /nfs/dbraw/zinc/39/13/88/305391388.db2.gz MRFBDBHYNQWRLP-RTBURBONSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000452349416 305391389 /nfs/dbraw/zinc/39/13/89/305391389.db2.gz MRFBDBHYNQWRLP-RTBURBONSA-N 2 1 345.487 1.614 20 0 EDADMP CC[NH2+]CCC[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000515634072 305725593 /nfs/dbraw/zinc/72/55/93/305725593.db2.gz LYHHTMOIPCMQGS-CQSZACIVSA-N 2 1 325.478 1.877 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536068417 306019359 /nfs/dbraw/zinc/01/93/59/306019359.db2.gz DVVUOPUWVHGYIL-CHWSQXEVSA-N 2 1 342.399 1.965 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536068417 306019360 /nfs/dbraw/zinc/01/93/60/306019360.db2.gz DVVUOPUWVHGYIL-CHWSQXEVSA-N 2 1 342.399 1.965 20 0 EDADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000543671006 306066445 /nfs/dbraw/zinc/06/64/45/306066445.db2.gz WBYBYZYYNFCUFR-ZDUSSCGKSA-N 2 1 336.484 1.358 20 0 EDADMP CC[C@H]1C[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC(=O)N1 ZINC000544505965 306075499 /nfs/dbraw/zinc/07/54/99/306075499.db2.gz RRVRHSGJARCTRB-KGLIPLIRSA-N 2 1 345.447 1.077 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000548102794 306119947 /nfs/dbraw/zinc/11/99/47/306119947.db2.gz FXOVEBFKEHKNAN-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000548102794 306119948 /nfs/dbraw/zinc/11/99/48/306119948.db2.gz FXOVEBFKEHKNAN-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000548102794 306119949 /nfs/dbraw/zinc/11/99/49/306119949.db2.gz FXOVEBFKEHKNAN-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cc(C)no3)CC2)CC1 ZINC000553051901 306182147 /nfs/dbraw/zinc/18/21/47/306182147.db2.gz DOBJRGXCFSPPJP-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)C[C@@H](C)O1 ZINC000553076568 306182530 /nfs/dbraw/zinc/18/25/30/306182530.db2.gz RTZHSNULLBARMM-HZPDHXFCSA-N 2 1 337.508 1.676 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](C)C[C@@H](C)O)CC2)CC1 ZINC000553497642 306185766 /nfs/dbraw/zinc/18/57/66/306185766.db2.gz FSEULPCNCWVMKL-JKSUJKDBSA-N 2 1 339.524 1.706 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000553651427 306187127 /nfs/dbraw/zinc/18/71/27/306187127.db2.gz PWNPCFOZMVJMSE-KSTDHSDQSA-N 2 1 336.480 1.609 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)C2CC[NH2+]CC2)c2cccs2)CC1 ZINC000553964998 306188230 /nfs/dbraw/zinc/18/82/30/306188230.db2.gz DTSPWKOBOQCZPR-HNNXBMFYSA-N 2 1 336.505 1.152 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NCC1=CC[NH2+]CC1 ZINC000557137545 306224812 /nfs/dbraw/zinc/22/48/12/306224812.db2.gz WBOWAUWLNBSFCC-UHFFFAOYSA-N 2 1 344.459 1.238 20 0 EDADMP C[NH+](CC1(C[N@H+](C)[C@@H]2CCCC[C@H]2O)COC1)[C@@H]1CCCC[C@H]1O ZINC000426218729 447401235 /nfs/dbraw/zinc/40/12/35/447401235.db2.gz FTBYTUNQAGTAFS-BRSBDYLESA-N 2 1 340.508 1.474 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000494016943 447422488 /nfs/dbraw/zinc/42/24/88/447422488.db2.gz OZSMVTNUYGEYGK-LZQZEXGQSA-N 2 1 345.487 1.562 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000494016943 447422496 /nfs/dbraw/zinc/42/24/96/447422496.db2.gz OZSMVTNUYGEYGK-LZQZEXGQSA-N 2 1 345.487 1.562 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000458637594 447434532 /nfs/dbraw/zinc/43/45/32/447434532.db2.gz GAFSOEYPZSWNRZ-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000102004157 441164239 /nfs/dbraw/zinc/16/42/39/441164239.db2.gz UJUGDGSJQAPUBR-UHFFFAOYSA-N 2 1 333.480 1.339 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000105103706 441232885 /nfs/dbraw/zinc/23/28/85/441232885.db2.gz ZSCMPZTWDKDXKE-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000105104305 441232971 /nfs/dbraw/zinc/23/29/71/441232971.db2.gz NDPLBSPDUNHUHA-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP COC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000073648307 441338881 /nfs/dbraw/zinc/33/88/81/441338881.db2.gz VTNGQXPAEUPNPF-FUHWJXTLSA-N 2 1 345.487 1.876 20 0 EDADMP CC[NH+](CC)CCn1c2ccccc2[nH]c1=NC(=O)[C@H]1CCC[NH2+]1 ZINC000073342189 441310823 /nfs/dbraw/zinc/31/08/23/441310823.db2.gz QGKZSGCDXWLJIV-OAHLLOKOSA-N 2 1 329.448 1.491 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000073816308 441357535 /nfs/dbraw/zinc/35/75/35/441357535.db2.gz DQRJNPTVAOTWAE-MRXNPFEDSA-N 2 1 342.447 1.859 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000073816308 441357537 /nfs/dbraw/zinc/35/75/37/441357537.db2.gz DQRJNPTVAOTWAE-MRXNPFEDSA-N 2 1 342.447 1.859 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107835323 441432076 /nfs/dbraw/zinc/43/20/76/441432076.db2.gz BHHASEOASZGLBU-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085361765 441433833 /nfs/dbraw/zinc/43/38/33/441433833.db2.gz ZWVARZLUVNXROE-CABCVRRESA-N 2 1 328.501 1.373 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCOCC[NH+](CC)CC ZINC000458654777 447440244 /nfs/dbraw/zinc/44/02/44/447440244.db2.gz JCGTWFJHUREEFT-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP Cc1ccc([C@H](CNC(=O)CN2CC[NH+](C)CC2)[NH+]2CCCC2)o1 ZINC000111593375 441538858 /nfs/dbraw/zinc/53/88/58/441538858.db2.gz PFCQDSWTQZZQPE-INIZCTEOSA-N 2 1 334.464 1.089 20 0 EDADMP C[NH+]1CCC(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000053963374 441549752 /nfs/dbraw/zinc/54/97/52/441549752.db2.gz IASJYIVZIUFNLE-UHFFFAOYSA-N 2 1 330.476 1.651 20 0 EDADMP C[N@H+](CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000066924173 441588147 /nfs/dbraw/zinc/58/81/47/441588147.db2.gz DOEMRYQRWCQFJQ-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP C[N@@H+](CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000066924173 441588152 /nfs/dbraw/zinc/58/81/52/441588152.db2.gz DOEMRYQRWCQFJQ-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP O=C1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CN1CCOc1ccccc1 ZINC000090088494 441620039 /nfs/dbraw/zinc/62/00/39/441620039.db2.gz UNRCLGMPXHQHHI-RCCFBDPRSA-N 2 1 343.471 1.883 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000042056645 441700466 /nfs/dbraw/zinc/70/04/66/441700466.db2.gz NLRHMBCLODPSAD-DLBZAZTESA-N 2 1 344.459 1.430 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000137167075 441752445 /nfs/dbraw/zinc/75/24/45/441752445.db2.gz GZSITGBUVUFCPF-CVEARBPZSA-N 2 1 331.460 1.804 20 0 EDADMP COCCN1CCC([NH2+][C@H](C)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000173645201 441812824 /nfs/dbraw/zinc/81/28/24/441812824.db2.gz ILOUAXRUXMSDQC-CQSZACIVSA-N 2 1 335.448 1.723 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000139413343 441814966 /nfs/dbraw/zinc/81/49/66/441814966.db2.gz MQSDGMPEQMKANA-GOSISDBHSA-N 2 1 346.475 1.412 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000139413343 441814971 /nfs/dbraw/zinc/81/49/71/441814971.db2.gz MQSDGMPEQMKANA-GOSISDBHSA-N 2 1 346.475 1.412 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CC[C@@H]([NH+](C)C)C3)CC2)[nH+]1 ZINC000117057454 441864266 /nfs/dbraw/zinc/86/42/66/441864266.db2.gz FWDNFEHUHKUZQD-MRXNPFEDSA-N 2 1 331.464 1.704 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000116569004 441830417 /nfs/dbraw/zinc/83/04/17/441830417.db2.gz XZHGWYAHSRYVRZ-WMZOPIPTSA-N 2 1 345.491 1.639 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000116569004 441830424 /nfs/dbraw/zinc/83/04/24/441830424.db2.gz XZHGWYAHSRYVRZ-WMZOPIPTSA-N 2 1 345.491 1.639 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[NH+]3C)c2C1 ZINC000118103446 441887646 /nfs/dbraw/zinc/88/76/46/441887646.db2.gz OTQIGYFPKYSSPR-OAHLLOKOSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[NH+]3C)c2C1 ZINC000118103446 441887650 /nfs/dbraw/zinc/88/76/50/441887650.db2.gz OTQIGYFPKYSSPR-OAHLLOKOSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[N@@H+]3C)c2C1 ZINC000118103446 441887652 /nfs/dbraw/zinc/88/76/52/441887652.db2.gz OTQIGYFPKYSSPR-OAHLLOKOSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[N@H+]3C)c2C1 ZINC000118103446 441887656 /nfs/dbraw/zinc/88/76/56/441887656.db2.gz OTQIGYFPKYSSPR-OAHLLOKOSA-N 2 1 344.459 1.561 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000118097721 441887822 /nfs/dbraw/zinc/88/78/22/441887822.db2.gz SDXLJSGQGPMWNJ-INIZCTEOSA-N 2 1 332.448 1.287 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000174851898 441975687 /nfs/dbraw/zinc/97/56/87/441975687.db2.gz XTPBMHBJYJKBSH-OALUTQOASA-N 2 1 345.487 1.688 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000174851898 441975693 /nfs/dbraw/zinc/97/56/93/441975693.db2.gz XTPBMHBJYJKBSH-OALUTQOASA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccsc1 ZINC000174625844 441945943 /nfs/dbraw/zinc/94/59/43/441945943.db2.gz PORIMIOHMXBBNK-HUUCEWRRSA-N 2 1 325.478 1.578 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccsc1 ZINC000174625844 441945947 /nfs/dbraw/zinc/94/59/47/441945947.db2.gz PORIMIOHMXBBNK-HUUCEWRRSA-N 2 1 325.478 1.578 20 0 EDADMP C[C@@H](NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000174718102 441958065 /nfs/dbraw/zinc/95/80/65/441958065.db2.gz HKIVVAIMWULGOB-QGZVFWFLSA-N 2 1 332.492 1.433 20 0 EDADMP C[C@@H](NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000174718102 441958070 /nfs/dbraw/zinc/95/80/70/441958070.db2.gz HKIVVAIMWULGOB-QGZVFWFLSA-N 2 1 332.492 1.433 20 0 EDADMP Cc1nccn1CCC[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000125110761 441985581 /nfs/dbraw/zinc/98/55/81/441985581.db2.gz MGGUKSHDCLBWIM-ZDUSSCGKSA-N 2 1 336.461 1.922 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000125110761 441985590 /nfs/dbraw/zinc/98/55/90/441985590.db2.gz MGGUKSHDCLBWIM-ZDUSSCGKSA-N 2 1 336.461 1.922 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000079460614 442049938 /nfs/dbraw/zinc/04/99/38/442049938.db2.gz YYZHSQGXAGGCTE-HNNXBMFYSA-N 2 1 329.448 1.398 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000176085931 442173409 /nfs/dbraw/zinc/17/34/09/442173409.db2.gz VXKVOWCKIRDQNJ-AWEZNQCLSA-N 2 1 346.475 1.594 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000152384039 442205680 /nfs/dbraw/zinc/20/56/80/442205680.db2.gz HIZZWUXLAXDPHW-IBGZPJMESA-N 2 1 347.503 1.983 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000152384039 442205683 /nfs/dbraw/zinc/20/56/83/442205683.db2.gz HIZZWUXLAXDPHW-IBGZPJMESA-N 2 1 347.503 1.983 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000152384039 442205686 /nfs/dbraw/zinc/20/56/86/442205686.db2.gz HIZZWUXLAXDPHW-IBGZPJMESA-N 2 1 347.503 1.983 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)C[C@H]3CCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000166551603 442217186 /nfs/dbraw/zinc/21/71/86/442217186.db2.gz ZRYAQKDQSZWBLH-OAHLLOKOSA-N 2 1 331.464 1.663 20 0 EDADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)OCCO2 ZINC000128084088 442243412 /nfs/dbraw/zinc/24/34/12/442243412.db2.gz CMHPFSJESFSQOO-ZBFHGGJFSA-N 2 1 347.459 1.696 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000170917098 442288148 /nfs/dbraw/zinc/28/81/48/442288148.db2.gz GXKLOYBGUBESIJ-UHFFFAOYSA-N 2 1 339.505 1.509 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000129562678 442323102 /nfs/dbraw/zinc/32/31/02/442323102.db2.gz PRFCKQKUESMOGB-UHFFFAOYSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000171200986 442326873 /nfs/dbraw/zinc/32/68/73/442326873.db2.gz PAOXGVCFMNBTMM-OAHLLOKOSA-N 2 1 328.501 1.374 20 0 EDADMP COCC[NH+](C)CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000171200986 442326876 /nfs/dbraw/zinc/32/68/76/442326876.db2.gz PAOXGVCFMNBTMM-OAHLLOKOSA-N 2 1 328.501 1.374 20 0 EDADMP COCC[NH+](C)CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000171200986 442326877 /nfs/dbraw/zinc/32/68/77/442326877.db2.gz PAOXGVCFMNBTMM-OAHLLOKOSA-N 2 1 328.501 1.374 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155166897 442379385 /nfs/dbraw/zinc/37/93/85/442379385.db2.gz BNCOVOOYKIWLPJ-XLIONFOSSA-N 3 1 347.503 1.827 20 0 EDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155166897 442379387 /nfs/dbraw/zinc/37/93/87/442379387.db2.gz BNCOVOOYKIWLPJ-XLIONFOSSA-N 3 1 347.503 1.827 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCOC(C)(C)C1 ZINC000171906270 442389827 /nfs/dbraw/zinc/38/98/27/442389827.db2.gz ZITLTYCMJHTWQT-OAHLLOKOSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H](C)Cn2cc(Br)cn2)CC1 ZINC000154850930 442360334 /nfs/dbraw/zinc/36/03/34/442360334.db2.gz YBXJZUBZORTWRY-LBPRGKRZSA-N 2 1 345.285 1.735 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@]1(CC)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000134560909 442495825 /nfs/dbraw/zinc/49/58/25/442495825.db2.gz MGSILAXGIDAKJU-FUHWJXTLSA-N 2 1 325.497 1.772 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000178843885 442501090 /nfs/dbraw/zinc/50/10/90/442501090.db2.gz RLHMAIMYCBPHNT-RHSMWYFYSA-N 2 1 325.497 1.709 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178873511 442509920 /nfs/dbraw/zinc/50/99/20/442509920.db2.gz SVTJVERRSYTOQT-KRWDZBQOSA-N 2 1 330.476 1.762 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000179008703 442551619 /nfs/dbraw/zinc/55/16/19/442551619.db2.gz ZDWKIJHCLYWLAX-HZPDHXFCSA-N 2 1 348.466 1.404 20 0 EDADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134868713 442529817 /nfs/dbraw/zinc/52/98/17/442529817.db2.gz DNURLRIQIBBXHM-ZBFHGGJFSA-N 2 1 329.510 1.217 20 0 EDADMP CN(C)S(=O)(=O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134868713 442529820 /nfs/dbraw/zinc/52/98/20/442529820.db2.gz DNURLRIQIBBXHM-ZBFHGGJFSA-N 2 1 329.510 1.217 20 0 EDADMP CN(C)S(=O)(=O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134868713 442529821 /nfs/dbraw/zinc/52/98/21/442529821.db2.gz DNURLRIQIBBXHM-ZBFHGGJFSA-N 2 1 329.510 1.217 20 0 EDADMP O=c1n2ccccc2nn1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134881353 442530555 /nfs/dbraw/zinc/53/05/55/442530555.db2.gz BMCFURHBKQFRCE-NVXWUHKLSA-N 2 1 341.459 1.445 20 0 EDADMP O=c1n2ccccc2nn1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134881353 442530562 /nfs/dbraw/zinc/53/05/62/442530562.db2.gz BMCFURHBKQFRCE-NVXWUHKLSA-N 2 1 341.459 1.445 20 0 EDADMP O=c1n2ccccc2nn1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134881353 442530564 /nfs/dbraw/zinc/53/05/64/442530564.db2.gz BMCFURHBKQFRCE-NVXWUHKLSA-N 2 1 341.459 1.445 20 0 EDADMP O=c1n2ccccc2nn1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134881353 442530569 /nfs/dbraw/zinc/53/05/69/442530569.db2.gz BMCFURHBKQFRCE-NVXWUHKLSA-N 2 1 341.459 1.445 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)C1 ZINC000157312655 442570607 /nfs/dbraw/zinc/57/06/07/442570607.db2.gz QYSKYPPTWIVREV-QGZVFWFLSA-N 2 1 335.448 1.003 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)C1 ZINC000157312655 442570609 /nfs/dbraw/zinc/57/06/09/442570609.db2.gz QYSKYPPTWIVREV-QGZVFWFLSA-N 2 1 335.448 1.003 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC[NH+]1CCCOCC1 ZINC000186920257 442630034 /nfs/dbraw/zinc/63/00/34/442630034.db2.gz SHWVMWWVJUFRKM-KRWDZBQOSA-N 2 1 340.512 1.663 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000186920257 442630038 /nfs/dbraw/zinc/63/00/38/442630038.db2.gz SHWVMWWVJUFRKM-KRWDZBQOSA-N 2 1 340.512 1.663 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000186920257 442630043 /nfs/dbraw/zinc/63/00/43/442630043.db2.gz SHWVMWWVJUFRKM-KRWDZBQOSA-N 2 1 340.512 1.663 20 0 EDADMP CCCNC(=O)[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192727968 442680752 /nfs/dbraw/zinc/68/07/52/442680752.db2.gz CNBRHVDACOYSJQ-GOSISDBHSA-N 2 1 338.540 1.641 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000193034566 442707330 /nfs/dbraw/zinc/70/73/30/442707330.db2.gz YNXXZYPNDWAJRB-AGUYFDCRSA-N 2 1 343.518 1.550 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000193034566 442707331 /nfs/dbraw/zinc/70/73/31/442707331.db2.gz YNXXZYPNDWAJRB-AGUYFDCRSA-N 2 1 343.518 1.550 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000182299566 442754790 /nfs/dbraw/zinc/75/47/90/442754790.db2.gz XEQQHOUIZHIDMY-OAHLLOKOSA-N 2 1 347.459 1.458 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000182299566 442754792 /nfs/dbraw/zinc/75/47/92/442754792.db2.gz XEQQHOUIZHIDMY-OAHLLOKOSA-N 2 1 347.459 1.458 20 0 EDADMP CCO[C@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1(CC)CC ZINC000181686648 442709845 /nfs/dbraw/zinc/70/98/45/442709845.db2.gz XLBSOAJGFOTEEA-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H](C)O1 ZINC000188733571 442799243 /nfs/dbraw/zinc/79/92/43/442799243.db2.gz UACACBYMBFCDMD-KJWYOANISA-N 2 1 349.450 1.612 20 0 EDADMP C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[C@@H](C)N1CCOCC1 ZINC000246340235 442773940 /nfs/dbraw/zinc/77/39/40/442773940.db2.gz OIVVZVRDDSMBQS-FPCVCCKLSA-N 2 1 326.485 1.077 20 0 EDADMP C[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000188653811 442780881 /nfs/dbraw/zinc/78/08/81/442780881.db2.gz ULRGZARHIVXSRN-QXSJWSMHSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000188653811 442780884 /nfs/dbraw/zinc/78/08/84/442780884.db2.gz ULRGZARHIVXSRN-QXSJWSMHSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000188653811 442780890 /nfs/dbraw/zinc/78/08/90/442780890.db2.gz ULRGZARHIVXSRN-QXSJWSMHSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000188653811 442780894 /nfs/dbraw/zinc/78/08/94/442780894.db2.gz ULRGZARHIVXSRN-QXSJWSMHSA-N 2 1 325.497 1.551 20 0 EDADMP COC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000194023918 442831536 /nfs/dbraw/zinc/83/15/36/442831536.db2.gz HUECQZDPOPWSDN-INIZCTEOSA-N 2 1 339.867 1.781 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000182851152 442836232 /nfs/dbraw/zinc/83/62/32/442836232.db2.gz CRXRVEVOFQFRBW-GOSISDBHSA-N 2 1 333.451 1.997 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000182851152 442836234 /nfs/dbraw/zinc/83/62/34/442836234.db2.gz CRXRVEVOFQFRBW-GOSISDBHSA-N 2 1 333.451 1.997 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000247359942 442850475 /nfs/dbraw/zinc/85/04/75/442850475.db2.gz MIPISFKEYTWXGQ-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000247359942 442850477 /nfs/dbraw/zinc/85/04/77/442850477.db2.gz MIPISFKEYTWXGQ-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182964389 442856924 /nfs/dbraw/zinc/85/69/24/442856924.db2.gz WAFNMAQABOSJOC-SFHVURJKSA-N 2 1 346.519 1.569 20 0 EDADMP C([NH+]1CC[C@@]2(CCOC2)C1)C1(C[N@H+]2CC[C@@]3(CCOC3)C2)COC1 ZINC000248417820 442890025 /nfs/dbraw/zinc/89/00/25/442890025.db2.gz JVOXMVFMBUMKRA-QZTJIDSGSA-N 2 1 336.476 1.228 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@H](CO)C3)CC2)cc1 ZINC000265829035 442937132 /nfs/dbraw/zinc/93/71/32/442937132.db2.gz LYTZZPBYMVQURG-IBGZPJMESA-N 2 1 345.487 1.344 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000194939196 442970278 /nfs/dbraw/zinc/97/02/78/442970278.db2.gz JVFLIQRELSGXLB-IUODEOHRSA-N 2 1 329.366 1.904 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000195124509 442985487 /nfs/dbraw/zinc/98/54/87/442985487.db2.gz RANXLQDRMHKVLZ-KFWWJZLASA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000195124509 442985492 /nfs/dbraw/zinc/98/54/92/442985492.db2.gz RANXLQDRMHKVLZ-KFWWJZLASA-N 2 1 326.485 1.268 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000195138608 442988335 /nfs/dbraw/zinc/98/83/35/442988335.db2.gz QYKOGQKMRYXEQQ-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC(=O)NC(N)=O)cc1 ZINC000183686566 442953477 /nfs/dbraw/zinc/95/34/77/442953477.db2.gz DZGAHWXUONBTKC-GFCCVEGCSA-N 2 1 329.404 1.806 20 0 EDADMP CN(C(=O)NC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268499041 443010720 /nfs/dbraw/zinc/01/07/20/443010720.db2.gz HKMSQIYQSIOHFC-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C(=O)NC[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268499041 443010726 /nfs/dbraw/zinc/01/07/26/443010726.db2.gz HKMSQIYQSIOHFC-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C(=O)NC[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268499041 443010728 /nfs/dbraw/zinc/01/07/28/443010728.db2.gz HKMSQIYQSIOHFC-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000266157636 443038833 /nfs/dbraw/zinc/03/88/33/443038833.db2.gz VRYIQWWNYILKEP-UHFFFAOYSA-N 2 1 336.480 1.516 20 0 EDADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCCC[C@H]3C(N)=O)c2cc1C ZINC000249724557 443002086 /nfs/dbraw/zinc/00/20/86/443002086.db2.gz OWBDRDYAUHEEBA-HOCLYGCPSA-N 2 1 330.432 1.354 20 0 EDADMP Cc1cc2ncn(C[C@@H](O)CN3CCCC[C@H]3C(N)=O)c2cc1C ZINC000249724557 443002090 /nfs/dbraw/zinc/00/20/90/443002090.db2.gz OWBDRDYAUHEEBA-HOCLYGCPSA-N 2 1 330.432 1.354 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N2CCC[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000237228984 443165311 /nfs/dbraw/zinc/16/53/11/443165311.db2.gz KGJSLHWEFHTMMG-SJLPKXTDSA-N 2 1 330.476 1.172 20 0 EDADMP C[NH2+][C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)c1cnn(C)c1 ZINC000262476554 443196796 /nfs/dbraw/zinc/19/67/96/443196796.db2.gz YYWOSRJPUHGKOH-MRXNPFEDSA-N 2 1 331.420 1.260 20 0 EDADMP C[NH2+][C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)c1cnn(C)c1 ZINC000262476552 443197077 /nfs/dbraw/zinc/19/70/77/443197077.db2.gz YYWOSRJPUHGKOH-INIZCTEOSA-N 2 1 331.420 1.260 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)CC2)cs1 ZINC000185157282 443150168 /nfs/dbraw/zinc/15/01/68/443150168.db2.gz ZKLPVZHNPBFZSD-UAGQMJEPSA-N 2 1 348.516 1.859 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000237171225 443161927 /nfs/dbraw/zinc/16/19/27/443161927.db2.gz SWORDEBRKOABTD-UHFFFAOYSA-N 2 1 328.464 1.589 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245411002 443224746 /nfs/dbraw/zinc/22/47/46/443224746.db2.gz UNDLOWUGCMVKDI-ULQDDVLXSA-N 2 1 327.513 1.968 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245411002 443224751 /nfs/dbraw/zinc/22/47/51/443224751.db2.gz UNDLOWUGCMVKDI-ULQDDVLXSA-N 2 1 327.513 1.968 20 0 EDADMP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[NH+](CCc2cccs2)CC1 ZINC000269236155 443244467 /nfs/dbraw/zinc/24/44/67/443244467.db2.gz NBJVYDADJDQUFY-HNNXBMFYSA-N 2 1 337.489 1.203 20 0 EDADMP CC(C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000245483880 443231335 /nfs/dbraw/zinc/23/13/35/443231335.db2.gz GHDZOIQDIZOPIY-ROUUACIJSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000245483880 443231338 /nfs/dbraw/zinc/23/13/38/443231338.db2.gz GHDZOIQDIZOPIY-ROUUACIJSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000245483880 443231342 /nfs/dbraw/zinc/23/13/42/443231342.db2.gz GHDZOIQDIZOPIY-ROUUACIJSA-N 2 1 339.524 1.827 20 0 EDADMP C[C@@H]1CC(O)C[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000191135072 443247387 /nfs/dbraw/zinc/24/73/87/443247387.db2.gz DOZCPZGKFKSZGM-MPBLMAKGSA-N 2 1 333.476 1.639 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000411455620 319182673 /nfs/dbraw/zinc/18/26/73/319182673.db2.gz YQGWDLQTEMKCEZ-CALCHBBNSA-N 2 1 340.508 1.882 20 0 EDADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000411455620 319182674 /nfs/dbraw/zinc/18/26/74/319182674.db2.gz YQGWDLQTEMKCEZ-CALCHBBNSA-N 2 1 340.508 1.882 20 0 EDADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NC(=O)NC1CC1 ZINC000185759599 443252503 /nfs/dbraw/zinc/25/25/03/443252503.db2.gz MQNRPDMWRKJSKN-MELADBBJSA-N 2 1 336.480 1.606 20 0 EDADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)NC(=O)NC1CC1 ZINC000185759599 443252508 /nfs/dbraw/zinc/25/25/08/443252508.db2.gz MQNRPDMWRKJSKN-MELADBBJSA-N 2 1 336.480 1.606 20 0 EDADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000413859952 319294871 /nfs/dbraw/zinc/29/48/71/319294871.db2.gz NSKXOZLOSNPVLH-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP C[N@H+](Cc1ccccc1N1CCCC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414676411 319340102 /nfs/dbraw/zinc/34/01/02/319340102.db2.gz HRRCPPHMUFFDAF-QGZVFWFLSA-N 2 1 344.503 1.916 20 0 EDADMP COc1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)c(OC)c1 ZINC000414680626 319341108 /nfs/dbraw/zinc/34/11/08/319341108.db2.gz NGDMTPMCASRRQR-CQSZACIVSA-N 2 1 335.448 1.333 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCCC[NH2+]C3CC3)c2C1 ZINC000415862121 319379622 /nfs/dbraw/zinc/37/96/22/319379622.db2.gz SCIFOYHDAQBMMT-UHFFFAOYSA-N 2 1 344.459 1.609 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCCC[NH2+]C3CC3)c2C1 ZINC000415862121 319379625 /nfs/dbraw/zinc/37/96/25/319379625.db2.gz SCIFOYHDAQBMMT-UHFFFAOYSA-N 2 1 344.459 1.609 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@H](CC[NH3+])C(F)(F)F)Cc1ccccc1 ZINC000415989325 319387895 /nfs/dbraw/zinc/38/78/95/319387895.db2.gz AAHFYWKAZSZLKJ-CYBMUJFWSA-N 2 1 332.370 1.697 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000185835447 443267101 /nfs/dbraw/zinc/26/71/01/443267101.db2.gz PBGQIIBMLQJIAA-HOTGVXAUSA-N 2 1 341.544 1.288 20 0 EDADMP CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000191493624 443302123 /nfs/dbraw/zinc/30/21/23/443302123.db2.gz VLMFYVAIZGFLRA-MRXNPFEDSA-N 2 1 333.542 1.158 20 0 EDADMP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000191493624 443302124 /nfs/dbraw/zinc/30/21/24/443302124.db2.gz VLMFYVAIZGFLRA-MRXNPFEDSA-N 2 1 333.542 1.158 20 0 EDADMP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416890790 319470358 /nfs/dbraw/zinc/47/03/58/319470358.db2.gz WZUNGOZKUNBULF-INIZCTEOSA-N 2 1 348.491 1.836 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[NH+]1CCOCC1 ZINC000416935304 319478815 /nfs/dbraw/zinc/47/88/15/319478815.db2.gz GDBFUDOXUCKXBW-MAUKXSAKSA-N 2 1 348.491 1.862 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416955242 319485196 /nfs/dbraw/zinc/48/51/96/319485196.db2.gz MBGJEPOJPBDIEE-IAGOWNOFSA-N 2 1 340.512 1.646 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@H]2C[NH3+])cc1F ZINC000417275868 319489627 /nfs/dbraw/zinc/48/96/27/319489627.db2.gz FUBXDIOGSTUZEO-AWEZNQCLSA-N 2 1 331.395 1.953 20 0 EDADMP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+](CCOC)CC1)c1ccccc1 ZINC000264592796 443338887 /nfs/dbraw/zinc/33/88/87/443338887.db2.gz RJCIBEIDRCJPMS-GOSISDBHSA-N 2 1 333.476 1.860 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+](CCOC)CC1)c1ccccc1 ZINC000264592796 443338890 /nfs/dbraw/zinc/33/88/90/443338890.db2.gz RJCIBEIDRCJPMS-GOSISDBHSA-N 2 1 333.476 1.860 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+](CCOC)CC1)c1ccccc1 ZINC000264592796 443338892 /nfs/dbraw/zinc/33/88/92/443338892.db2.gz RJCIBEIDRCJPMS-GOSISDBHSA-N 2 1 333.476 1.860 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](CCOC)CC1)c1ccccc1 ZINC000264592796 443338894 /nfs/dbraw/zinc/33/88/94/443338894.db2.gz RJCIBEIDRCJPMS-GOSISDBHSA-N 2 1 333.476 1.860 20 0 EDADMP CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000191444270 443295592 /nfs/dbraw/zinc/29/55/92/443295592.db2.gz QDIHGRIILCYBJD-VZDIDWBNSA-N 2 1 338.492 1.887 20 0 EDADMP CCOC(=O)C1CCC(O)(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000191444270 443295595 /nfs/dbraw/zinc/29/55/95/443295595.db2.gz QDIHGRIILCYBJD-VZDIDWBNSA-N 2 1 338.492 1.887 20 0 EDADMP CCOC(=O)C1CCC(O)(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000191444270 443295598 /nfs/dbraw/zinc/29/55/98/443295598.db2.gz QDIHGRIILCYBJD-VZDIDWBNSA-N 2 1 338.492 1.887 20 0 EDADMP C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000269590726 443357873 /nfs/dbraw/zinc/35/78/73/443357873.db2.gz MRWRLIOIQSYFLL-WMZOPIPTSA-N 2 1 333.476 1.470 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000264764208 443413315 /nfs/dbraw/zinc/41/33/15/443413315.db2.gz ONFNIIIKDSFOCD-RBUKOAKNSA-N 2 1 344.503 1.261 20 0 EDADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000264764208 443413316 /nfs/dbraw/zinc/41/33/16/443413316.db2.gz ONFNIIIKDSFOCD-RBUKOAKNSA-N 2 1 344.503 1.261 20 0 EDADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000264764208 443413319 /nfs/dbraw/zinc/41/33/19/443413319.db2.gz ONFNIIIKDSFOCD-RBUKOAKNSA-N 2 1 344.503 1.261 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000278740500 443420942 /nfs/dbraw/zinc/42/09/42/443420942.db2.gz SVOZEIASHJTTGA-ULQDDVLXSA-N 2 1 337.464 1.536 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000278740500 443420946 /nfs/dbraw/zinc/42/09/46/443420946.db2.gz SVOZEIASHJTTGA-ULQDDVLXSA-N 2 1 337.464 1.536 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000278740504 443421145 /nfs/dbraw/zinc/42/11/45/443421145.db2.gz SVOZEIASHJTTGA-YESZJQIVSA-N 2 1 337.464 1.536 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000278740504 443421148 /nfs/dbraw/zinc/42/11/48/443421148.db2.gz SVOZEIASHJTTGA-YESZJQIVSA-N 2 1 337.464 1.536 20 0 EDADMP C[C@@H](C(=O)N1CCC([NH+](C)CCO)CC1)[N@@H+](C)Cc1ccccc1 ZINC000272266620 443573699 /nfs/dbraw/zinc/57/36/99/443573699.db2.gz BVOMTJQFTOOIBX-INIZCTEOSA-N 2 1 333.476 1.422 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@H+](C)CCO)CC1)[NH+](C)Cc1ccccc1 ZINC000272266620 443573705 /nfs/dbraw/zinc/57/37/05/443573705.db2.gz BVOMTJQFTOOIBX-INIZCTEOSA-N 2 1 333.476 1.422 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@@H+](C)CCO)CC1)[NH+](C)Cc1ccccc1 ZINC000272266620 443573710 /nfs/dbraw/zinc/57/37/10/443573710.db2.gz BVOMTJQFTOOIBX-INIZCTEOSA-N 2 1 333.476 1.422 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272282530 443579228 /nfs/dbraw/zinc/57/92/28/443579228.db2.gz BVOQZKGQORUEEP-ZWKOTPCHSA-N 2 1 330.476 1.984 20 0 EDADMP CC(C)[C@@H]([NH3+])C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431022399 319937059 /nfs/dbraw/zinc/93/70/59/319937059.db2.gz CXUBPMIXPKIULU-GOSISDBHSA-N 3 1 338.540 1.624 20 0 EDADMP CCNC(=O)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286160173 443658685 /nfs/dbraw/zinc/65/86/85/443658685.db2.gz WFOKQSFVHVUSAV-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP CN1CCN(C(=O)CC[N@H+](Cc2ccco2)C[C@@H]2CCCO2)CC1 ZINC000283556075 443660141 /nfs/dbraw/zinc/66/01/41/443660141.db2.gz NNZQTSQELTZQKG-KRWDZBQOSA-N 2 1 335.448 1.425 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)CC1 ZINC000283556075 443660144 /nfs/dbraw/zinc/66/01/44/443660144.db2.gz NNZQTSQELTZQKG-KRWDZBQOSA-N 2 1 335.448 1.425 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000434394405 320000015 /nfs/dbraw/zinc/00/00/15/320000015.db2.gz LCNJLFCQHFUAKR-CABCVRRESA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000434394405 320000017 /nfs/dbraw/zinc/00/00/17/320000017.db2.gz LCNJLFCQHFUAKR-CABCVRRESA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000434394405 320000019 /nfs/dbraw/zinc/00/00/19/320000019.db2.gz LCNJLFCQHFUAKR-CABCVRRESA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000434394405 320000021 /nfs/dbraw/zinc/00/00/21/320000021.db2.gz LCNJLFCQHFUAKR-CABCVRRESA-N 2 1 326.485 1.221 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000434395036 320000188 /nfs/dbraw/zinc/00/01/88/320000188.db2.gz LHXLBBYBUZWHTM-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000434395036 320000190 /nfs/dbraw/zinc/00/01/90/320000190.db2.gz LHXLBBYBUZWHTM-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434395036 320000192 /nfs/dbraw/zinc/00/01/92/320000192.db2.gz LHXLBBYBUZWHTM-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434395036 320000194 /nfs/dbraw/zinc/00/01/94/320000194.db2.gz LHXLBBYBUZWHTM-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441345410 320093381 /nfs/dbraw/zinc/09/33/81/320093381.db2.gz GSDMBFUOOHTHST-QGZVFWFLSA-N 2 1 336.524 1.536 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(F)(F)F ZINC000449732107 320202920 /nfs/dbraw/zinc/20/29/20/320202920.db2.gz YIDDZRORAHKWIV-ZIAGYGMSSA-N 2 1 345.365 1.283 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(F)(F)F ZINC000449732107 320202923 /nfs/dbraw/zinc/20/29/23/320202923.db2.gz YIDDZRORAHKWIV-ZIAGYGMSSA-N 2 1 345.365 1.283 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCc2c(Cl)cccc2-n2ccnc2)C1 ZINC000452207994 320245530 /nfs/dbraw/zinc/24/55/30/320245530.db2.gz OILVQMOCDORSNW-INIZCTEOSA-N 2 1 348.834 1.863 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC000457491320 320327935 /nfs/dbraw/zinc/32/79/35/320327935.db2.gz NSLUIMOZOIFLLI-KURKYZTESA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000457491320 320327936 /nfs/dbraw/zinc/32/79/36/320327936.db2.gz NSLUIMOZOIFLLI-KURKYZTESA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000457491320 320327937 /nfs/dbraw/zinc/32/79/37/320327937.db2.gz NSLUIMOZOIFLLI-KURKYZTESA-N 2 1 328.460 1.606 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)CCO1 ZINC000457587394 320329604 /nfs/dbraw/zinc/32/96/04/320329604.db2.gz UGLYRAGXIZKEQY-MRXNPFEDSA-N 2 1 349.519 1.963 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000457713804 320332987 /nfs/dbraw/zinc/33/29/87/320332987.db2.gz QZPOUQJDILNAQJ-MRXNPFEDSA-N 2 1 341.544 1.432 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000457719301 320333247 /nfs/dbraw/zinc/33/32/47/320333247.db2.gz ZBMFWGFTEYOYRR-JKSUJKDBSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1CCCC[C@H]1C ZINC000457724558 320333559 /nfs/dbraw/zinc/33/35/59/320333559.db2.gz ZANORGKDIKHMFQ-BRWVUGGUSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+]1CCCO)[N@@H+]1CCCC[C@H]1C ZINC000457724558 320333560 /nfs/dbraw/zinc/33/35/60/320333560.db2.gz ZANORGKDIKHMFQ-BRWVUGGUSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+]1CCCO)[N@H+]1CCCC[C@H]1C ZINC000457724558 320333561 /nfs/dbraw/zinc/33/35/61/320333561.db2.gz ZANORGKDIKHMFQ-BRWVUGGUSA-N 2 1 340.512 1.395 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000458127147 320336555 /nfs/dbraw/zinc/33/65/55/320336555.db2.gz IBRYGBCMSCYFAK-KRWDZBQOSA-N 2 1 340.512 1.254 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CCCCO)CC2)cc1 ZINC000276329617 443689192 /nfs/dbraw/zinc/68/91/92/443689192.db2.gz FNMIAVMWYRCUBV-UHFFFAOYSA-N 2 1 347.503 1.734 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)CCCCO)CC2)cc1 ZINC000276329617 443689193 /nfs/dbraw/zinc/68/91/93/443689193.db2.gz FNMIAVMWYRCUBV-UHFFFAOYSA-N 2 1 347.503 1.734 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)CCCCO)CC2)cc1 ZINC000276329617 443689194 /nfs/dbraw/zinc/68/91/94/443689194.db2.gz FNMIAVMWYRCUBV-UHFFFAOYSA-N 2 1 347.503 1.734 20 0 EDADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCC(=O)N2 ZINC000286251178 443676309 /nfs/dbraw/zinc/67/63/09/443676309.db2.gz UKJNTCNARFBLJI-GDBMZVCRSA-N 2 1 347.459 1.905 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000288160689 443789378 /nfs/dbraw/zinc/78/93/78/443789378.db2.gz ZQMSLLMXRONDPG-CABCVRRESA-N 2 1 347.463 1.454 20 0 EDADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ocnc3C(F)F)C2)CC1 ZINC000625523140 450408182 /nfs/dbraw/zinc/40/81/82/450408182.db2.gz ZRJMFQQOWLKDHG-JTQLQIEISA-N 2 1 328.363 1.511 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3ocnc3C(F)F)C2)CC1 ZINC000625523140 450408184 /nfs/dbraw/zinc/40/81/84/450408184.db2.gz ZRJMFQQOWLKDHG-JTQLQIEISA-N 2 1 328.363 1.511 20 0 EDADMP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[NH+](C)CC2)cc1 ZINC000298641322 443826439 /nfs/dbraw/zinc/82/64/39/443826439.db2.gz KKKVIEXRUJYNQP-UHFFFAOYSA-N 2 1 348.491 1.864 20 0 EDADMP CCOC(=O)[C@@](C)(O)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285519747 444014484 /nfs/dbraw/zinc/01/44/84/444014484.db2.gz KFKJDFFVYXMUSZ-VQTJNVASSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285519747 444014485 /nfs/dbraw/zinc/01/44/85/444014485.db2.gz KFKJDFFVYXMUSZ-VQTJNVASSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)[C@@](C)(O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285519747 444014489 /nfs/dbraw/zinc/01/44/89/444014489.db2.gz KFKJDFFVYXMUSZ-VQTJNVASSA-N 2 1 346.471 1.899 20 0 EDADMP CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000556919354 320997130 /nfs/dbraw/zinc/99/71/30/320997130.db2.gz GCXNSMZBALAICV-QGZVFWFLSA-N 2 1 343.537 1.797 20 0 EDADMP COc1cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc2c1OCO2 ZINC000558423611 321012410 /nfs/dbraw/zinc/01/24/10/321012410.db2.gz PJARYCBXBICAEF-UHFFFAOYSA-N 2 1 337.464 1.739 20 0 EDADMP CC(C)[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000561108094 321033018 /nfs/dbraw/zinc/03/30/18/321033018.db2.gz PPKRWADYOZLAFC-IBGZPJMESA-N 2 1 347.503 1.877 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000562666896 321067742 /nfs/dbraw/zinc/06/77/42/321067742.db2.gz ANCSWIKCPVFHRG-BRWVUGGUSA-N 2 1 338.496 1.100 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000563972481 321118504 /nfs/dbraw/zinc/11/85/04/321118504.db2.gz VRCLOCJQXXXLSI-QGZVFWFLSA-N 2 1 339.524 1.925 20 0 EDADMP COCC[NH+](C)CCCC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000563972481 321118505 /nfs/dbraw/zinc/11/85/05/321118505.db2.gz VRCLOCJQXXXLSI-QGZVFWFLSA-N 2 1 339.524 1.925 20 0 EDADMP COCC[NH+](C)CCCC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000563972481 321118506 /nfs/dbraw/zinc/11/85/06/321118506.db2.gz VRCLOCJQXXXLSI-QGZVFWFLSA-N 2 1 339.524 1.925 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564931449 321158530 /nfs/dbraw/zinc/15/85/30/321158530.db2.gz LXYPLPDWGYEIOI-XOYOTBSWSA-N 2 1 331.460 1.390 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000565470581 321187396 /nfs/dbraw/zinc/18/73/96/321187396.db2.gz UQADSLINCBHRNM-UHFFFAOYSA-N 2 1 349.523 1.154 20 0 EDADMP CC1=CC[N@H+](CCNC(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000565470581 321187398 /nfs/dbraw/zinc/18/73/98/321187398.db2.gz UQADSLINCBHRNM-UHFFFAOYSA-N 2 1 349.523 1.154 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000565470581 321187399 /nfs/dbraw/zinc/18/73/99/321187399.db2.gz UQADSLINCBHRNM-UHFFFAOYSA-N 2 1 349.523 1.154 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000566000706 321209621 /nfs/dbraw/zinc/20/96/21/321209621.db2.gz UCLSLIREPZYEME-WMZOPIPTSA-N 2 1 331.460 1.775 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000566000706 321209623 /nfs/dbraw/zinc/20/96/23/321209623.db2.gz UCLSLIREPZYEME-WMZOPIPTSA-N 2 1 331.460 1.775 20 0 EDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000566811513 321234210 /nfs/dbraw/zinc/23/42/10/321234210.db2.gz WMFPBOIAVJKBLV-GUYCJALGSA-N 2 1 337.489 1.643 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566972224 321237407 /nfs/dbraw/zinc/23/74/07/321237407.db2.gz RTYSERPPGHPLPS-OVWQWFNUSA-N 2 1 348.491 1.701 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566972224 321237409 /nfs/dbraw/zinc/23/74/09/321237409.db2.gz RTYSERPPGHPLPS-OVWQWFNUSA-N 2 1 348.491 1.701 20 0 EDADMP CC[C@H](NC(=O)C(C)(C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000567984105 321271603 /nfs/dbraw/zinc/27/16/03/321271603.db2.gz CQOIMDCLMAHZLU-DLBZAZTESA-N 2 1 333.476 1.767 20 0 EDADMP CC[C@H](NC(=O)C(C)(C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000567984105 321271605 /nfs/dbraw/zinc/27/16/05/321271605.db2.gz CQOIMDCLMAHZLU-DLBZAZTESA-N 2 1 333.476 1.767 20 0 EDADMP CN(Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000569248177 321322673 /nfs/dbraw/zinc/32/26/73/321322673.db2.gz IIRXBJHYBILPHA-LBPRGKRZSA-N 2 1 345.896 1.761 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)c(C)c1 ZINC000569455606 321326107 /nfs/dbraw/zinc/32/61/07/321326107.db2.gz ACYSDOULIVGJAJ-SFHVURJKSA-N 2 1 336.476 1.480 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[NH2+]1 ZINC000570028691 321334814 /nfs/dbraw/zinc/33/48/14/321334814.db2.gz JLGCAAYMARGUBT-YJBOKZPZSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000285787577 444108048 /nfs/dbraw/zinc/10/80/48/444108048.db2.gz OGNSQHYWPWTXBV-NVXWUHKLSA-N 2 1 347.459 1.724 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)C1 ZINC000285787584 444108412 /nfs/dbraw/zinc/10/84/12/444108412.db2.gz OGNSQHYWPWTXBV-WBVHZDCISA-N 2 1 347.459 1.724 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000572259312 321423233 /nfs/dbraw/zinc/42/32/33/321423233.db2.gz DLEUYJVAROWKFI-UHFFFAOYSA-N 2 1 338.452 1.642 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccc(-n2ccnc2)nc1)CC[NH+](C)C ZINC000289534159 444166763 /nfs/dbraw/zinc/16/67/63/444166763.db2.gz WGQIKHCLOLFAII-UHFFFAOYSA-N 2 1 330.480 1.583 20 0 EDADMP Cc1cccc2c1[nH+]cc(C)c2N(C)C[C@H](O)CN1CC[NH+](C)CC1 ZINC000302628150 444218321 /nfs/dbraw/zinc/21/83/21/444218321.db2.gz FWFXXKNWMMWCIP-KRWDZBQOSA-N 2 1 342.487 1.896 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000289928028 444220594 /nfs/dbraw/zinc/22/05/94/444220594.db2.gz OFZOSSFNVZXZGS-KBMXLJTQSA-N 2 1 333.432 1.046 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)[C@@H]2C1 ZINC000286006467 444174771 /nfs/dbraw/zinc/17/47/71/444174771.db2.gz ZHPRIGDMCIYJSS-MOPGFXCFSA-N 2 1 343.471 1.828 20 0 EDADMP COC(C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)OC ZINC000286021896 444178859 /nfs/dbraw/zinc/17/88/59/444178859.db2.gz PWKPLCHBTOOLIN-SFHVURJKSA-N 2 1 333.476 1.497 20 0 EDADMP COC(C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)OC ZINC000286021896 444178863 /nfs/dbraw/zinc/17/88/63/444178863.db2.gz PWKPLCHBTOOLIN-SFHVURJKSA-N 2 1 333.476 1.497 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000289667261 444188053 /nfs/dbraw/zinc/18/80/53/444188053.db2.gz DBDZWPQHDPVZAD-GVDBMIGSSA-N 2 1 345.491 1.096 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000289738520 444196901 /nfs/dbraw/zinc/19/69/01/444196901.db2.gz GZAVFCLIULMSHU-GDBMZVCRSA-N 2 1 335.448 1.294 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCCn2cc(CO)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000289740545 444197210 /nfs/dbraw/zinc/19/72/10/444197210.db2.gz KOPRGTBAULHWHA-WMZOPIPTSA-N 2 1 343.475 1.803 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCCn2cc(CO)nn2)CC[N@H+]1Cc1ccccc1 ZINC000289740545 444197211 /nfs/dbraw/zinc/19/72/11/444197211.db2.gz KOPRGTBAULHWHA-WMZOPIPTSA-N 2 1 343.475 1.803 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000305706718 444274086 /nfs/dbraw/zinc/27/40/86/444274086.db2.gz WFXAFVBBEHCOFU-GBESFXJTSA-N 2 1 345.487 1.612 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000305706718 444274088 /nfs/dbraw/zinc/27/40/88/444274088.db2.gz WFXAFVBBEHCOFU-GBESFXJTSA-N 2 1 345.487 1.612 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000305706718 444274089 /nfs/dbraw/zinc/27/40/89/444274089.db2.gz WFXAFVBBEHCOFU-GBESFXJTSA-N 2 1 345.487 1.612 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3CC[NH2+][C@@H]3C(C)C)CC2)nc(C)[nH+]1 ZINC000290301250 444264691 /nfs/dbraw/zinc/26/46/91/444264691.db2.gz FBGSINYFIMISPB-SJLPKXTDSA-N 2 1 345.491 1.813 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000289979301 444226763 /nfs/dbraw/zinc/22/67/63/444226763.db2.gz QKVCURNHSWLZMX-MRXNPFEDSA-N 2 1 347.459 1.390 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000289979301 444226765 /nfs/dbraw/zinc/22/67/65/444226765.db2.gz QKVCURNHSWLZMX-MRXNPFEDSA-N 2 1 347.459 1.390 20 0 EDADMP c1nc(N[C@H]2CC[N@H+](CC3CCCC3)C2)cc(N2CCOCC2)n1 ZINC000302919466 444231805 /nfs/dbraw/zinc/23/18/05/444231805.db2.gz YLJJHSAQJVCUSV-INIZCTEOSA-N 2 1 331.464 1.990 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000303032700 444232324 /nfs/dbraw/zinc/23/23/24/444232324.db2.gz XRNDDDIJHOYINR-XDNAFOTISA-N 2 1 337.508 1.817 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCN2CCCC[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000303032700 444232326 /nfs/dbraw/zinc/23/23/26/444232326.db2.gz XRNDDDIJHOYINR-XDNAFOTISA-N 2 1 337.508 1.817 20 0 EDADMP CC[N@@H+](CC(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000305680447 444272515 /nfs/dbraw/zinc/27/25/15/444272515.db2.gz MQGANNYXORTSPT-MJGOQNOKSA-N 2 1 345.487 1.470 20 0 EDADMP CC[NH+](CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000305680447 444272517 /nfs/dbraw/zinc/27/25/17/444272517.db2.gz MQGANNYXORTSPT-MJGOQNOKSA-N 2 1 345.487 1.470 20 0 EDADMP CC[NH+](CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000305680447 444272518 /nfs/dbraw/zinc/27/25/18/444272518.db2.gz MQGANNYXORTSPT-MJGOQNOKSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000303344956 444236828 /nfs/dbraw/zinc/23/68/28/444236828.db2.gz ZPEOVZQYIPJQMX-IAGOWNOFSA-N 2 1 339.524 1.658 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000290077468 444239172 /nfs/dbraw/zinc/23/91/72/444239172.db2.gz IQFAZWUPEUGRPO-OALUTQOASA-N 2 1 344.503 1.655 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000316213359 444309402 /nfs/dbraw/zinc/30/94/02/444309402.db2.gz SSFRMWYISUNJHB-PMPSAXMXSA-N 2 1 329.510 1.122 20 0 EDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000314773038 444302389 /nfs/dbraw/zinc/30/23/89/444302389.db2.gz ANRNDCKVKPGADP-KGLIPLIRSA-N 2 1 327.494 1.928 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000337831016 444427810 /nfs/dbraw/zinc/42/78/10/444427810.db2.gz ZZNRAZDTGLZDJJ-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000338010690 444485658 /nfs/dbraw/zinc/48/56/58/444485658.db2.gz HRVFDRRZTZEYRM-SOLBZPMBSA-N 2 1 331.460 1.596 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000338010690 444485662 /nfs/dbraw/zinc/48/56/62/444485662.db2.gz HRVFDRRZTZEYRM-SOLBZPMBSA-N 2 1 331.460 1.596 20 0 EDADMP Cc1nc(N2C[C@H]3CC[NH+](C)[C@H]3C2)cc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)n1 ZINC000580695617 322082713 /nfs/dbraw/zinc/08/27/13/322082713.db2.gz BUWHSIVVYKTBPB-ZYGGUILKSA-N 2 1 342.491 1.066 20 0 EDADMP Cc1nc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc(N2C[C@@H]3CC[NH+](C)[C@@H]3C2)n1 ZINC000580695617 322082715 /nfs/dbraw/zinc/08/27/15/322082715.db2.gz BUWHSIVVYKTBPB-ZYGGUILKSA-N 2 1 342.491 1.066 20 0 EDADMP Cc1nc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc(N2C[C@@H]3CC[NH+](C)[C@@H]3C2)n1 ZINC000580695617 322082717 /nfs/dbraw/zinc/08/27/17/322082717.db2.gz BUWHSIVVYKTBPB-ZYGGUILKSA-N 2 1 342.491 1.066 20 0 EDADMP O=c1c2c(ncn1CC1CC[NH2+]CC1)C[N@@H+](Cc1ccccc1)CC2 ZINC000580771354 322093073 /nfs/dbraw/zinc/09/30/73/322093073.db2.gz DAVGABJTJNVCDV-UHFFFAOYSA-N 2 1 338.455 1.801 20 0 EDADMP O=c1c2c(ncn1CC1CC[NH2+]CC1)C[N@H+](Cc1ccccc1)CC2 ZINC000580771354 322093074 /nfs/dbraw/zinc/09/30/74/322093074.db2.gz DAVGABJTJNVCDV-UHFFFAOYSA-N 2 1 338.455 1.801 20 0 EDADMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1ccccc1Cl ZINC000581131628 322140132 /nfs/dbraw/zinc/14/01/32/322140132.db2.gz NKODLFKNOFGHHL-HNNXBMFYSA-N 2 1 342.867 1.516 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[NH2+]1 ZINC000581596965 322196678 /nfs/dbraw/zinc/19/66/78/322196678.db2.gz PBTOENGYSMGWQG-MAUKXSAKSA-N 2 1 346.475 1.459 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000582002644 322243594 /nfs/dbraw/zinc/24/35/94/322243594.db2.gz XDGSQMMSPQZCFQ-KURKYZTESA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000582002644 322243596 /nfs/dbraw/zinc/24/35/96/322243596.db2.gz XDGSQMMSPQZCFQ-KURKYZTESA-N 2 1 331.460 1.521 20 0 EDADMP CN(C)c1ncc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1C ZINC000332839980 444569737 /nfs/dbraw/zinc/56/97/37/444569737.db2.gz IUEBEIDZGOPODX-ZFWWWQNUSA-N 2 1 334.468 1.112 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1C ZINC000332839980 444569744 /nfs/dbraw/zinc/56/97/44/444569744.db2.gz IUEBEIDZGOPODX-ZFWWWQNUSA-N 2 1 334.468 1.112 20 0 EDADMP C[C@H]1C[NH+](C)CCN1Cc1ccccc1CN1CC[N@H+](C)C[C@@H]1C ZINC000343717454 444542821 /nfs/dbraw/zinc/54/28/21/444542821.db2.gz QZURDYDHYUQVMY-ROUUACIJSA-N 2 1 330.520 1.958 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000332937992 444603572 /nfs/dbraw/zinc/60/35/72/444603572.db2.gz DAQKWFBAMBEMOR-GJZGRUSLSA-N 2 1 326.485 1.004 20 0 EDADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)c1ccc2c[nH+]cn2c1 ZINC000333253245 444651554 /nfs/dbraw/zinc/65/15/54/444651554.db2.gz HEWWGBFMLAKWDV-UHFFFAOYSA-N 2 1 327.432 1.281 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000333358951 444660545 /nfs/dbraw/zinc/66/05/45/444660545.db2.gz CONWGXADUCGCLD-GVDBMIGSSA-N 2 1 338.496 1.100 20 0 EDADMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCSCC1 ZINC000341113178 444679732 /nfs/dbraw/zinc/67/97/32/444679732.db2.gz AUYLWYQECWUGFI-CABCVRRESA-N 2 1 326.510 1.303 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCSCC1 ZINC000341113178 444679737 /nfs/dbraw/zinc/67/97/37/444679737.db2.gz AUYLWYQECWUGFI-CABCVRRESA-N 2 1 326.510 1.303 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000341116613 444681439 /nfs/dbraw/zinc/68/14/39/444681439.db2.gz DOOAZJFSZAWSTA-INIZCTEOSA-N 2 1 340.537 1.599 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000341116613 444681444 /nfs/dbraw/zinc/68/14/44/444681444.db2.gz DOOAZJFSZAWSTA-INIZCTEOSA-N 2 1 340.537 1.599 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000342349456 444646958 /nfs/dbraw/zinc/64/69/58/444646958.db2.gz RDSRVZRBMGICBZ-WBVHZDCISA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000342349456 444646962 /nfs/dbraw/zinc/64/69/62/444646962.db2.gz RDSRVZRBMGICBZ-WBVHZDCISA-N 2 1 338.496 1.221 20 0 EDADMP CCC(CC)[N@@H+](CC)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000344009519 444724579 /nfs/dbraw/zinc/72/45/79/444724579.db2.gz AYSOODBTOQHEMA-QGZVFWFLSA-N 2 1 327.513 1.970 20 0 EDADMP CCC(CC)[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000344009519 444724581 /nfs/dbraw/zinc/72/45/81/444724581.db2.gz AYSOODBTOQHEMA-QGZVFWFLSA-N 2 1 327.513 1.970 20 0 EDADMP CCC(CC)[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000344009519 444724584 /nfs/dbraw/zinc/72/45/84/444724584.db2.gz AYSOODBTOQHEMA-QGZVFWFLSA-N 2 1 327.513 1.970 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)[nH+]c1 ZINC000344012294 444726979 /nfs/dbraw/zinc/72/69/79/444726979.db2.gz NNOLSILOCULYGD-SJORKVTESA-N 2 1 345.491 2.460 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)[nH+]c1 ZINC000344012294 444726982 /nfs/dbraw/zinc/72/69/82/444726982.db2.gz NNOLSILOCULYGD-SJORKVTESA-N 2 1 345.491 2.460 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1CCOC ZINC000344018185 444731366 /nfs/dbraw/zinc/73/13/66/444731366.db2.gz VJRRUFZLXGUEKD-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1CCOC ZINC000344018185 444731370 /nfs/dbraw/zinc/73/13/70/444731370.db2.gz VJRRUFZLXGUEKD-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028017 444737935 /nfs/dbraw/zinc/73/79/35/444737935.db2.gz LPRKJXATLRGDKC-QZTJIDSGSA-N 2 1 340.556 1.981 20 0 EDADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344034532 444740894 /nfs/dbraw/zinc/74/08/94/444740894.db2.gz RQPABOMMURQQSA-CALCHBBNSA-N 2 1 326.529 1.591 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344063322 444759688 /nfs/dbraw/zinc/75/96/88/444759688.db2.gz NKAWEBNFQKEGSY-FGTMMUONSA-N 2 1 340.556 1.885 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@H](C)C[NH+](CC)CC)C[C@H]1CC ZINC000342647899 444795386 /nfs/dbraw/zinc/79/53/86/444795386.db2.gz FHAIDJFDHCFRGE-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)CC[N@H+]1C ZINC000341367920 444798112 /nfs/dbraw/zinc/79/81/12/444798112.db2.gz GGNYPFFDNDGQHU-HOCLYGCPSA-N 2 1 349.479 1.304 20 0 EDADMP CC[NH+](CC)CCOC1CCN(C(=O)C[N@@H+](CC)C2CC2)CC1 ZINC000344154425 444811230 /nfs/dbraw/zinc/81/12/30/444811230.db2.gz WIURTFVLBFMORS-UHFFFAOYSA-N 2 1 325.497 1.820 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCS(=O)(=O)N(C)C)C2)CC1 ZINC000336870685 444814657 /nfs/dbraw/zinc/81/46/57/444814657.db2.gz JXJAOAFQKPMUTK-QGZVFWFLSA-N 2 1 345.553 1.712 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCS(=O)(=O)N(C)C)C2)CC1 ZINC000336870685 444814659 /nfs/dbraw/zinc/81/46/59/444814659.db2.gz JXJAOAFQKPMUTK-QGZVFWFLSA-N 2 1 345.553 1.712 20 0 EDADMP C[NH+]1CCC([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000341435639 444829983 /nfs/dbraw/zinc/82/99/83/444829983.db2.gz LQAYOYMNWSQGOH-UHFFFAOYSA-N 2 1 345.896 1.692 20 0 EDADMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCC[NH+]1CCOCC1 ZINC000341446621 444836625 /nfs/dbraw/zinc/83/66/25/444836625.db2.gz AUZSWLJIGBVXTE-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000338762258 444841698 /nfs/dbraw/zinc/84/16/98/444841698.db2.gz NPGKSKHQRZDSFB-HOTGVXAUSA-N 2 1 339.867 1.780 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000338762258 444841701 /nfs/dbraw/zinc/84/17/01/444841701.db2.gz NPGKSKHQRZDSFB-HOTGVXAUSA-N 2 1 339.867 1.780 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000344223173 444848823 /nfs/dbraw/zinc/84/88/23/444848823.db2.gz SLSVGDGGZBMXBX-UHFFFAOYSA-N 2 1 343.471 1.995 20 0 EDADMP COC1(CC[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)CCC1 ZINC000338969111 444961387 /nfs/dbraw/zinc/96/13/87/444961387.db2.gz OJZLFLUWBBZHTF-SFHVURJKSA-N 2 1 339.524 1.672 20 0 EDADMP c1cc(N2CCN(CCC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000339068231 445016848 /nfs/dbraw/zinc/01/68/48/445016848.db2.gz NDKDGATYJDTNOQ-AZUAARDMSA-N 3 1 343.519 1.810 20 0 EDADMP C[N@@H+](CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCSC1 ZINC000343105987 445070149 /nfs/dbraw/zinc/07/01/49/445070149.db2.gz XYMWAHKPXDFTPU-GJZGRUSLSA-N 2 1 337.489 1.970 20 0 EDADMP CCOC(=O)CCCCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000344590538 445076802 /nfs/dbraw/zinc/07/68/02/445076802.db2.gz WXFKBZIRZPYEQR-UHFFFAOYSA-N 2 1 339.480 1.350 20 0 EDADMP COc1ccccc1[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCSCC2)CCN1 ZINC000337564645 445139452 /nfs/dbraw/zinc/13/94/52/445139452.db2.gz AMPARPXJCYMKKK-GDBMZVCRSA-N 2 1 349.500 1.605 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000345428384 445186297 /nfs/dbraw/zinc/18/62/97/445186297.db2.gz HAHVDDFOYJMKAB-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)C[C@@H]21 ZINC000342079112 445160633 /nfs/dbraw/zinc/16/06/33/445160633.db2.gz DUORMEWDDIXSDV-IXDOHACOSA-N 2 1 344.459 1.462 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000346263251 445209473 /nfs/dbraw/zinc/20/94/73/445209473.db2.gz CJSBIBHKCAUOLL-VXNCWWDNSA-N 2 1 337.508 1.674 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000346263251 445209475 /nfs/dbraw/zinc/20/94/75/445209475.db2.gz CJSBIBHKCAUOLL-VXNCWWDNSA-N 2 1 337.508 1.674 20 0 EDADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)ccn1 ZINC000345924822 445202050 /nfs/dbraw/zinc/20/20/50/445202050.db2.gz RWWWTQHTNLCLFE-PBHICJAKSA-N 2 1 342.447 1.750 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000346959077 445228981 /nfs/dbraw/zinc/22/89/81/445228981.db2.gz CYLNVILHJQFWNK-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000346959077 445228982 /nfs/dbraw/zinc/22/89/82/445228982.db2.gz CYLNVILHJQFWNK-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000346959077 445228983 /nfs/dbraw/zinc/22/89/83/445228983.db2.gz CYLNVILHJQFWNK-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CCC[N@@H+]1C ZINC000343569811 445246077 /nfs/dbraw/zinc/24/60/77/445246077.db2.gz UMAKTEKZVVVCNW-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CCC[N@H+]1C ZINC000343569811 445246080 /nfs/dbraw/zinc/24/60/80/445246080.db2.gz UMAKTEKZVVVCNW-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH+]1C ZINC000343569811 445246081 /nfs/dbraw/zinc/24/60/81/445246081.db2.gz UMAKTEKZVVVCNW-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH+]1C ZINC000343569811 445246083 /nfs/dbraw/zinc/24/60/83/445246083.db2.gz UMAKTEKZVVVCNW-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000348303528 445249095 /nfs/dbraw/zinc/24/90/95/445249095.db2.gz PPMWLIWTWKISSY-MSOLQXFVSA-N 3 1 338.540 1.641 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C1CCCCC1 ZINC000354465507 445249289 /nfs/dbraw/zinc/24/92/89/445249289.db2.gz VQQPNSSPRROAAU-INIZCTEOSA-N 2 1 345.553 1.997 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000343583532 445251630 /nfs/dbraw/zinc/25/16/30/445251630.db2.gz NYJAPSPEJONBOT-CQSZACIVSA-N 2 1 343.537 1.429 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CCC[N@H+]1C ZINC000343619078 445265996 /nfs/dbraw/zinc/26/59/96/445265996.db2.gz JQPKDBOCBXIIEF-QAPCUYQASA-N 2 1 348.491 1.909 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348112756 445274827 /nfs/dbraw/zinc/27/48/27/445274827.db2.gz RINXJOVEUXJUJE-JHJVBQTASA-N 2 1 337.386 1.273 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000354691347 445341761 /nfs/dbraw/zinc/34/17/61/445341761.db2.gz OCZQXIONSKSRTR-PNKHAZJDSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000354691347 445341765 /nfs/dbraw/zinc/34/17/65/445341765.db2.gz OCZQXIONSKSRTR-PNKHAZJDSA-N 2 1 337.508 1.815 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000351850870 445342650 /nfs/dbraw/zinc/34/26/50/445342650.db2.gz KCCFEDXVSMUNMZ-NVXWUHKLSA-N 2 1 341.459 1.200 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000351850870 445342654 /nfs/dbraw/zinc/34/26/54/445342654.db2.gz KCCFEDXVSMUNMZ-NVXWUHKLSA-N 2 1 341.459 1.200 20 0 EDADMP Cc1nc(N[C@@H]2CCC[NH+](C)[C@@H]2C)nc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)n1 ZINC000359745768 445404776 /nfs/dbraw/zinc/40/47/76/445404776.db2.gz LPTFZQPSDGHJAO-XOUADPBQSA-N 2 1 347.511 1.969 20 0 EDADMP Cc1nc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)nc(N[C@H]2CCC[NH+](C)[C@@H]2C)n1 ZINC000359745768 445404779 /nfs/dbraw/zinc/40/47/79/445404779.db2.gz LPTFZQPSDGHJAO-XOUADPBQSA-N 2 1 347.511 1.969 20 0 EDADMP Cc1nc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)nc(N[C@H]2CCC[NH+](C)[C@@H]2C)n1 ZINC000359745768 445404781 /nfs/dbraw/zinc/40/47/81/445404781.db2.gz LPTFZQPSDGHJAO-XOUADPBQSA-N 2 1 347.511 1.969 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1)[C@@H]1CCOC1 ZINC000354930643 445434405 /nfs/dbraw/zinc/43/44/05/445434405.db2.gz YRUKAQRGNBOHPB-YJNKXOJESA-N 2 1 337.443 1.474 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000355060973 445441023 /nfs/dbraw/zinc/44/10/23/445441023.db2.gz QZBFESSGYGFRGD-JFIYKMOQSA-N 2 1 332.492 1.430 20 0 EDADMP Cc1ccc(CCC[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000348921565 445441335 /nfs/dbraw/zinc/44/13/35/445441335.db2.gz OIQDUBHMUPAYPQ-UHFFFAOYSA-N 2 1 344.503 1.809 20 0 EDADMP CC(C)c1nccn1C[C@@H]1CCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000359879370 445471585 /nfs/dbraw/zinc/47/15/85/445471585.db2.gz RUJZJJOVHXDHJA-HNNXBMFYSA-N 2 1 345.447 1.069 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352208095 445514067 /nfs/dbraw/zinc/51/40/67/445514067.db2.gz IVSHZNFRCDBOEU-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000362723992 445519377 /nfs/dbraw/zinc/51/93/77/445519377.db2.gz OWBOXOIMTMZULA-MAUKXSAKSA-N 2 1 333.476 1.483 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@@H]1[NH+]1CCCC1 ZINC000355803446 445486556 /nfs/dbraw/zinc/48/65/56/445486556.db2.gz IKOSEPCVSHVNFF-SOUVJXGZSA-N 2 1 334.489 1.799 20 0 EDADMP CCOC(=O)C1CCC([N@H+](CC)C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000352103135 445494239 /nfs/dbraw/zinc/49/42/39/445494239.db2.gz MTOQVSTXSGOKPL-PREGVCBESA-N 2 1 326.481 1.885 20 0 EDADMP CCOC(=O)C1CCC([N@@H+](CC)C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000352103135 445494243 /nfs/dbraw/zinc/49/42/43/445494243.db2.gz MTOQVSTXSGOKPL-PREGVCBESA-N 2 1 326.481 1.885 20 0 EDADMP CCOC(=O)C1CCC([NH+](CC)C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000352103135 445494245 /nfs/dbraw/zinc/49/42/45/445494245.db2.gz MTOQVSTXSGOKPL-PREGVCBESA-N 2 1 326.481 1.885 20 0 EDADMP CCOC(=O)C1CCC([NH+](CC)C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000352103135 445494248 /nfs/dbraw/zinc/49/42/48/445494248.db2.gz MTOQVSTXSGOKPL-PREGVCBESA-N 2 1 326.481 1.885 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000357235384 445497646 /nfs/dbraw/zinc/49/76/46/445497646.db2.gz CTYKBYDILQWTSB-CVEARBPZSA-N 2 1 330.476 1.169 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C[C@H]3COCC[NH2+]3)c2)C[C@@H](C)O1 ZINC000357237692 445499991 /nfs/dbraw/zinc/49/99/91/445499991.db2.gz HEXCKMJFQSSDEO-RKVPGOIHSA-N 2 1 347.459 1.613 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362796173 445553738 /nfs/dbraw/zinc/55/37/38/445553738.db2.gz SVDMSRYGCIDWMU-XHSDSOJGSA-N 2 1 333.480 1.800 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC2)cn1 ZINC000362810439 445559737 /nfs/dbraw/zinc/55/97/37/445559737.db2.gz YYZNUNMQXYZTFN-FUHWJXTLSA-N 2 1 347.507 1.525 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC2)cn1 ZINC000362810439 445559742 /nfs/dbraw/zinc/55/97/42/445559742.db2.gz YYZNUNMQXYZTFN-FUHWJXTLSA-N 2 1 347.507 1.525 20 0 EDADMP CCCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC000362810439 445559747 /nfs/dbraw/zinc/55/97/47/445559747.db2.gz YYZNUNMQXYZTFN-FUHWJXTLSA-N 2 1 347.507 1.525 20 0 EDADMP CCCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC000362810439 445559753 /nfs/dbraw/zinc/55/97/53/445559753.db2.gz YYZNUNMQXYZTFN-FUHWJXTLSA-N 2 1 347.507 1.525 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000362816430 445562776 /nfs/dbraw/zinc/56/27/76/445562776.db2.gz BLJFWLVHBJUZOS-MJGOQNOKSA-N 2 1 344.503 1.465 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000362816430 445562778 /nfs/dbraw/zinc/56/27/78/445562778.db2.gz BLJFWLVHBJUZOS-MJGOQNOKSA-N 2 1 344.503 1.465 20 0 EDADMP CC1CCN(CC(=O)NC2CCN(Cc3cscn3)CC2)CC1 ZINC000362821942 445565461 /nfs/dbraw/zinc/56/54/61/445565461.db2.gz BWPYTKNDFBQGKT-UHFFFAOYSA-N 2 1 336.505 1.956 20 0 EDADMP CC[C@@H](C(=O)NCC[NH+]1CCCOCC1)[N@H+](C)Cc1ccccc1 ZINC000356010412 445570069 /nfs/dbraw/zinc/57/00/69/445570069.db2.gz OKXXEHQSAASRHA-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP CC[C@@H](C(=O)NCC[NH+]1CCCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000356010412 445570072 /nfs/dbraw/zinc/57/00/72/445570072.db2.gz OKXXEHQSAASRHA-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP CC[C@@H](C(=O)NCC[N@@H+]1CCCOCC1)[NH+](C)Cc1ccccc1 ZINC000356010412 445570075 /nfs/dbraw/zinc/57/00/75/445570075.db2.gz OKXXEHQSAASRHA-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP CC[C@@H](C(=O)NCC[N@H+]1CCCOCC1)[NH+](C)Cc1ccccc1 ZINC000356010412 445570080 /nfs/dbraw/zinc/57/00/80/445570080.db2.gz OKXXEHQSAASRHA-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1nc2ccccc2o1 ZINC000349227780 445540530 /nfs/dbraw/zinc/54/05/30/445540530.db2.gz VGJKWDUXJGECQL-MRXNPFEDSA-N 2 1 346.475 1.869 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000360042102 445541413 /nfs/dbraw/zinc/54/14/13/445541413.db2.gz LKCCKEYEJUISNT-AWEZNQCLSA-N 2 1 340.512 1.260 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([NH+](C)CCO)[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000356071792 445602183 /nfs/dbraw/zinc/60/21/83/445602183.db2.gz UOYNPIDXHDYHKA-FRQCXROJSA-N 2 1 345.487 1.347 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000356071792 445602187 /nfs/dbraw/zinc/60/21/87/445602187.db2.gz UOYNPIDXHDYHKA-FRQCXROJSA-N 2 1 345.487 1.347 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000356071792 445602190 /nfs/dbraw/zinc/60/21/90/445602190.db2.gz UOYNPIDXHDYHKA-FRQCXROJSA-N 2 1 345.487 1.347 20 0 EDADMP CO[C@H](C[NH3+])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353451944 445607799 /nfs/dbraw/zinc/60/77/99/445607799.db2.gz QBEUTYIVGDXSJZ-IEBWSBKVSA-N 2 1 331.460 1.475 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)CC1 ZINC000358492904 445622805 /nfs/dbraw/zinc/62/28/05/445622805.db2.gz GVEQFAZLALFUAB-INIZCTEOSA-N 2 1 339.528 1.137 20 0 EDADMP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358515574 445627886 /nfs/dbraw/zinc/62/78/86/445627886.db2.gz ZHLAVVGKAQFPIH-UHFFFAOYSA-N 2 1 344.459 1.450 20 0 EDADMP Cc1ccc(NCCCNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]c1 ZINC000349722983 445656246 /nfs/dbraw/zinc/65/62/46/445656246.db2.gz NASVADZCMCSLCB-MRXNPFEDSA-N 2 1 331.464 2.070 20 0 EDADMP Cc1ccc(NCCCNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)[nH+]c1 ZINC000349722983 445656251 /nfs/dbraw/zinc/65/62/51/445656251.db2.gz NASVADZCMCSLCB-MRXNPFEDSA-N 2 1 331.464 2.070 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000363026830 445654406 /nfs/dbraw/zinc/65/44/06/445654406.db2.gz OCVAOEQPYZCEMC-HNNXBMFYSA-N 2 1 345.491 1.233 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000363026830 445654410 /nfs/dbraw/zinc/65/44/10/445654410.db2.gz OCVAOEQPYZCEMC-HNNXBMFYSA-N 2 1 345.491 1.233 20 0 EDADMP O=C(NCCNc1cc[nH+]cc1)NCC[N@@H+]1CCc2sccc2C1 ZINC000356185276 445667034 /nfs/dbraw/zinc/66/70/34/445667034.db2.gz NQTGZYJOOPPQFZ-UHFFFAOYSA-N 2 1 345.472 1.334 20 0 EDADMP O=C(NCCNc1cc[nH+]cc1)NCC[N@H+]1CCc2sccc2C1 ZINC000356185276 445667038 /nfs/dbraw/zinc/66/70/38/445667038.db2.gz NQTGZYJOOPPQFZ-UHFFFAOYSA-N 2 1 345.472 1.334 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000349787043 445678868 /nfs/dbraw/zinc/67/88/68/445678868.db2.gz ZUUFAURHYGFMEB-CQSZACIVSA-N 2 1 327.494 1.755 20 0 EDADMP COCc1cnc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)s1 ZINC000349788864 445679877 /nfs/dbraw/zinc/67/98/77/445679877.db2.gz LKUSUZYZXLOBCB-UHFFFAOYSA-N 2 1 326.510 1.795 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000356219487 445681639 /nfs/dbraw/zinc/68/16/39/445681639.db2.gz FFIUYVGQZUFRHY-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000358629852 445684510 /nfs/dbraw/zinc/68/45/10/445684510.db2.gz NHNUOTDMWUFCOD-INIZCTEOSA-N 2 1 325.497 1.414 20 0 EDADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[NH+]2CCC[C@@H]2C1 ZINC000363116873 445685154 /nfs/dbraw/zinc/68/51/54/445685154.db2.gz BDAZNTCUCFEJKR-RTBURBONSA-N 2 1 343.471 1.584 20 0 EDADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[NH+]2CCC[C@@H]2C1 ZINC000363116873 445685155 /nfs/dbraw/zinc/68/51/55/445685155.db2.gz BDAZNTCUCFEJKR-RTBURBONSA-N 2 1 343.471 1.584 20 0 EDADMP O=C([C@H]1C[NH+](Cc2ccccc2)CCO1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363116873 445685157 /nfs/dbraw/zinc/68/51/57/445685157.db2.gz BDAZNTCUCFEJKR-RTBURBONSA-N 2 1 343.471 1.584 20 0 EDADMP O=C([C@H]1C[NH+](Cc2ccccc2)CCO1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000363116873 445685159 /nfs/dbraw/zinc/68/51/59/445685159.db2.gz BDAZNTCUCFEJKR-RTBURBONSA-N 2 1 343.471 1.584 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000356229477 445687249 /nfs/dbraw/zinc/68/72/49/445687249.db2.gz RGKUMMKEWXDTPP-OAHLLOKOSA-N 2 1 333.480 1.725 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000363083752 445671512 /nfs/dbraw/zinc/67/15/12/445671512.db2.gz AROYNZYEVYWFML-QZTJIDSGSA-N 2 1 346.475 1.411 20 0 EDADMP CSC1(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC[NH+](C)CC1 ZINC000360695230 445722853 /nfs/dbraw/zinc/72/28/53/445722853.db2.gz OFJVDZGTFUGCKX-HUUCEWRRSA-N 2 1 340.537 1.549 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CC[NH2+][C@H]3C(C)C)CC2)cn1 ZINC000353807100 445764872 /nfs/dbraw/zinc/76/48/72/445764872.db2.gz LCWZJNRBHKAIPV-ROUUACIJSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CC[NH2+][C@H]3C(C)C)CC2)cn1 ZINC000353807100 445764878 /nfs/dbraw/zinc/76/48/78/445764878.db2.gz LCWZJNRBHKAIPV-ROUUACIJSA-N 2 1 347.507 1.571 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)c1ccc(F)cc1 ZINC000358773598 445768295 /nfs/dbraw/zinc/76/82/95/445768295.db2.gz JMTLRLKOGZGPAQ-KRWDZBQOSA-N 2 1 349.450 1.883 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC3(O)CCCC3)CC2)C[C@H](C)O1 ZINC000358875256 445825838 /nfs/dbraw/zinc/82/58/38/445825838.db2.gz SHVYWRBEFPDPGK-CALCHBBNSA-N 2 1 340.508 1.882 20 0 EDADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC3(O)CCCC3)CC2)C[C@H](C)O1 ZINC000358875256 445825840 /nfs/dbraw/zinc/82/58/40/445825840.db2.gz SHVYWRBEFPDPGK-CALCHBBNSA-N 2 1 340.508 1.882 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000353931359 445816696 /nfs/dbraw/zinc/81/66/96/445816696.db2.gz YPWUSSDYTLPLOF-GDBMZVCRSA-N 2 1 328.526 1.597 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)CCOC)C[C@@H]1C ZINC000361752347 445915635 /nfs/dbraw/zinc/91/56/35/445915635.db2.gz WVYBTOSCGHTQGK-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@H+](C)CCOC)C[C@@H]1C ZINC000361752347 445915640 /nfs/dbraw/zinc/91/56/40/445915640.db2.gz WVYBTOSCGHTQGK-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@@H+](C)CCOC)C[C@@H]1C ZINC000361752347 445915646 /nfs/dbraw/zinc/91/56/46/445915646.db2.gz WVYBTOSCGHTQGK-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NC[C@H]3CCCO3)C2)c1 ZINC000361751824 445916493 /nfs/dbraw/zinc/91/64/93/445916493.db2.gz PTFKLQXERCVFOC-IXDOHACOSA-N 2 1 346.475 1.808 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000359147703 445982207 /nfs/dbraw/zinc/98/22/07/445982207.db2.gz XJTOVVZVSXIMFO-FCEWJHQRSA-N 2 1 345.487 1.395 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000359147703 445982210 /nfs/dbraw/zinc/98/22/10/445982210.db2.gz XJTOVVZVSXIMFO-FCEWJHQRSA-N 2 1 345.487 1.395 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000359147703 445982215 /nfs/dbraw/zinc/98/22/15/445982215.db2.gz XJTOVVZVSXIMFO-FCEWJHQRSA-N 2 1 345.487 1.395 20 0 EDADMP COc1ccccc1CNC(=O)C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365988453 445946356 /nfs/dbraw/zinc/94/63/56/445946356.db2.gz LZLXZZMJZZBKSK-OAHLLOKOSA-N 2 1 342.443 1.702 20 0 EDADMP COc1ccccc1CNC(=O)C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365988453 445946359 /nfs/dbraw/zinc/94/63/59/445946359.db2.gz LZLXZZMJZZBKSK-OAHLLOKOSA-N 2 1 342.443 1.702 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000361789033 445947384 /nfs/dbraw/zinc/94/73/84/445947384.db2.gz PVOQBRQORABNTO-ULQDDVLXSA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000361789033 445947387 /nfs/dbraw/zinc/94/73/87/445947387.db2.gz PVOQBRQORABNTO-ULQDDVLXSA-N 2 1 340.512 1.469 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1)[NH+]1CCOCC1 ZINC000365096683 446021033 /nfs/dbraw/zinc/02/10/33/446021033.db2.gz WTJDZRXWPORSBF-LMMKCTJWSA-N 2 1 337.508 1.853 20 0 EDADMP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000359204483 446032971 /nfs/dbraw/zinc/03/29/71/446032971.db2.gz DPEVYPQRWVSVCD-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000359204483 446032976 /nfs/dbraw/zinc/03/29/76/446032976.db2.gz DPEVYPQRWVSVCD-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP C[N@@H+](CCO[C@H]1CCCCO1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373119429 446041113 /nfs/dbraw/zinc/04/11/13/446041113.db2.gz YQDRUCYJSGNWDF-MSOLQXFVSA-N 2 1 325.497 1.630 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)C[C@@H]1[NH+]1CCOCC1 ZINC000356821394 446048695 /nfs/dbraw/zinc/04/86/95/446048695.db2.gz OACXEDRUHSAMGN-XHSDSOJGSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000583683400 326117368 /nfs/dbraw/zinc/11/73/68/326117368.db2.gz PWXYNUXFIPZRHM-UHFFFAOYSA-N 2 1 348.491 1.706 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000369302445 446058645 /nfs/dbraw/zinc/05/86/45/446058645.db2.gz JUOKVTCBLBRHSA-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000369302445 446058649 /nfs/dbraw/zinc/05/86/49/446058649.db2.gz JUOKVTCBLBRHSA-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369302445 446058655 /nfs/dbraw/zinc/05/86/55/446058655.db2.gz JUOKVTCBLBRHSA-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369302445 446058658 /nfs/dbraw/zinc/05/86/58/446058658.db2.gz JUOKVTCBLBRHSA-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000584042316 326188259 /nfs/dbraw/zinc/18/82/59/326188259.db2.gz VTLUTGNJYBUUBX-ZWKOTPCHSA-N 2 1 330.476 1.826 20 0 EDADMP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351487585 446088446 /nfs/dbraw/zinc/08/84/46/446088446.db2.gz COQPDNSIVNTKDY-XJNFMUPTSA-N 2 1 331.460 1.884 20 0 EDADMP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351487585 446088451 /nfs/dbraw/zinc/08/84/51/446088451.db2.gz COQPDNSIVNTKDY-XJNFMUPTSA-N 2 1 331.460 1.884 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351472202 446073440 /nfs/dbraw/zinc/07/34/40/446073440.db2.gz AFSBNAAJPZSJBY-YESZJQIVSA-N 2 1 331.460 1.468 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351472202 446073447 /nfs/dbraw/zinc/07/34/47/446073447.db2.gz AFSBNAAJPZSJBY-YESZJQIVSA-N 2 1 331.460 1.468 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)CC1 ZINC000369329760 446077743 /nfs/dbraw/zinc/07/77/43/446077743.db2.gz NPAANBNJBMDYBE-ZWKOTPCHSA-N 2 1 336.524 1.534 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1F ZINC000365311691 446140188 /nfs/dbraw/zinc/14/01/88/446140188.db2.gz UAEBGTOXZOIUMO-VZJVUDMVSA-N 2 1 332.379 1.220 20 0 EDADMP CCCOc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351494616 446097884 /nfs/dbraw/zinc/09/78/84/446097884.db2.gz OLRMTTNQONNORO-RYQLBKOJSA-N 2 1 331.460 1.761 20 0 EDADMP CCCOc1cccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351494616 446097894 /nfs/dbraw/zinc/09/78/94/446097894.db2.gz OLRMTTNQONNORO-RYQLBKOJSA-N 2 1 331.460 1.761 20 0 EDADMP CCCOc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351494614 446098910 /nfs/dbraw/zinc/09/89/10/446098910.db2.gz OLRMTTNQONNORO-CGTJXYLNSA-N 2 1 331.460 1.761 20 0 EDADMP CCCOc1cccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351494614 446098915 /nfs/dbraw/zinc/09/89/15/446098915.db2.gz OLRMTTNQONNORO-CGTJXYLNSA-N 2 1 331.460 1.761 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000351502292 446106745 /nfs/dbraw/zinc/10/67/45/446106745.db2.gz ZRXNBFADCIYVKF-JYJNAYRXSA-N 2 1 347.459 1.032 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000351502292 446106753 /nfs/dbraw/zinc/10/67/53/446106753.db2.gz ZRXNBFADCIYVKF-JYJNAYRXSA-N 2 1 347.459 1.032 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH+]4CCC[C@H]4C3)C2)CC1 ZINC000365258713 446107145 /nfs/dbraw/zinc/10/71/45/446107145.db2.gz HLGVIJXPXVLPTO-BQFCYCMXSA-N 2 1 349.523 1.081 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000365258713 446107152 /nfs/dbraw/zinc/10/71/52/446107152.db2.gz HLGVIJXPXVLPTO-BQFCYCMXSA-N 2 1 349.523 1.081 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000365258713 446107159 /nfs/dbraw/zinc/10/71/59/446107159.db2.gz HLGVIJXPXVLPTO-BQFCYCMXSA-N 2 1 349.523 1.081 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000365258713 446107162 /nfs/dbraw/zinc/10/71/62/446107162.db2.gz HLGVIJXPXVLPTO-BQFCYCMXSA-N 2 1 349.523 1.081 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000365258713 446107168 /nfs/dbraw/zinc/10/71/68/446107168.db2.gz HLGVIJXPXVLPTO-BQFCYCMXSA-N 2 1 349.523 1.081 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCCCCC3)C2)CC1 ZINC000369409335 446118385 /nfs/dbraw/zinc/11/83/85/446118385.db2.gz SDHDAFGVLLJBNC-GOSISDBHSA-N 2 1 336.524 1.489 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCCCCC3)C2)CC1 ZINC000369409335 446118392 /nfs/dbraw/zinc/11/83/92/446118392.db2.gz SDHDAFGVLLJBNC-GOSISDBHSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)[N@@H+](C)C1CC1 ZINC000359283187 446118641 /nfs/dbraw/zinc/11/86/41/446118641.db2.gz GYNHQNNBMMFCDS-AWEZNQCLSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000369661123 446141444 /nfs/dbraw/zinc/14/14/44/446141444.db2.gz OWIRWSQIHJQXID-INIZCTEOSA-N 2 1 328.501 1.471 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000365407273 446192711 /nfs/dbraw/zinc/19/27/11/446192711.db2.gz ZBDWKLCRDZTGJW-QGZVFWFLSA-N 2 1 348.491 1.937 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000365407273 446192714 /nfs/dbraw/zinc/19/27/14/446192714.db2.gz ZBDWKLCRDZTGJW-QGZVFWFLSA-N 2 1 348.491 1.937 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)Cc2cn3c(n2)CCCC3)C[N@H+]1C1CC1 ZINC000365366278 446170677 /nfs/dbraw/zinc/17/06/77/446170677.db2.gz RGYOSDFJUOPXDF-UONOGXRCSA-N 2 1 331.464 1.986 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000369663082 446142608 /nfs/dbraw/zinc/14/26/08/446142608.db2.gz SKBQJOGPXXZQLV-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369663082 446142614 /nfs/dbraw/zinc/14/26/14/446142614.db2.gz SKBQJOGPXXZQLV-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369663082 446142622 /nfs/dbraw/zinc/14/26/22/446142622.db2.gz SKBQJOGPXXZQLV-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000354422164 446194126 /nfs/dbraw/zinc/19/41/26/446194126.db2.gz OHUFNKZTSAFSAX-MJGOQNOKSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000354422164 446194131 /nfs/dbraw/zinc/19/41/31/446194131.db2.gz OHUFNKZTSAFSAX-MJGOQNOKSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000354422164 446194136 /nfs/dbraw/zinc/19/41/36/446194136.db2.gz OHUFNKZTSAFSAX-MJGOQNOKSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000354422164 446194140 /nfs/dbraw/zinc/19/41/40/446194140.db2.gz OHUFNKZTSAFSAX-MJGOQNOKSA-N 2 1 345.487 1.830 20 0 EDADMP C[N@H+]1CCCC[C@H]1CCN1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC000351616780 446210625 /nfs/dbraw/zinc/21/06/25/446210625.db2.gz VRUJIDYHRPNUML-SFHVURJKSA-N 2 1 336.524 1.491 20 0 EDADMP C[NH+]1CCCC[C@H]1CCN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000351616780 446210629 /nfs/dbraw/zinc/21/06/29/446210629.db2.gz VRUJIDYHRPNUML-SFHVURJKSA-N 2 1 336.524 1.491 20 0 EDADMP C[NH+]1CCCC[C@H]1CCN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000351616780 446210635 /nfs/dbraw/zinc/21/06/35/446210635.db2.gz VRUJIDYHRPNUML-SFHVURJKSA-N 2 1 336.524 1.491 20 0 EDADMP Cc1cc(C[N@H+](C)C[C@@H]2C[C@@H](F)CN2c2ccnc(N(C)C)n2)on1 ZINC000351622831 446216296 /nfs/dbraw/zinc/21/62/96/446216296.db2.gz SSNSPJVZWNCIMQ-KGLIPLIRSA-N 2 1 348.426 1.888 20 0 EDADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCN(c2ccccn2)CC1 ZINC000370294527 446218649 /nfs/dbraw/zinc/21/86/49/446218649.db2.gz QAJXHPFKKQTFNZ-UHFFFAOYSA-N 2 1 345.491 1.146 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCN(c2ccccn2)CC1 ZINC000370294527 446218656 /nfs/dbraw/zinc/21/86/56/446218656.db2.gz QAJXHPFKKQTFNZ-UHFFFAOYSA-N 2 1 345.491 1.146 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[N@H+]1C1CC1 ZINC000370323243 446230437 /nfs/dbraw/zinc/23/04/37/446230437.db2.gz DGVMIZNLXQRWKI-JFIYKMOQSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[NH+]1C1CC1 ZINC000370323243 446230441 /nfs/dbraw/zinc/23/04/41/446230441.db2.gz DGVMIZNLXQRWKI-JFIYKMOQSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[NH+]1C1CC1 ZINC000370323243 446230443 /nfs/dbraw/zinc/23/04/43/446230443.db2.gz DGVMIZNLXQRWKI-JFIYKMOQSA-N 2 1 349.523 1.033 20 0 EDADMP C[NH+]1CCN(c2nc3ccccc3nc2NCC[NH+]2CCCC2)CC1 ZINC000359497862 446259991 /nfs/dbraw/zinc/25/99/91/446259991.db2.gz QHVORRBPNPJLDC-UHFFFAOYSA-N 2 1 340.475 1.889 20 0 EDADMP C[NH+](C)CCN(C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000362236132 446278989 /nfs/dbraw/zinc/27/89/89/446278989.db2.gz IXTJLPXTZSKYSO-IRXDYDNUSA-N 2 1 338.496 1.365 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000373632113 446286254 /nfs/dbraw/zinc/28/62/54/446286254.db2.gz UHWFCCPZCOGKRL-UHFFFAOYSA-N 2 1 331.464 1.361 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000365719445 446313714 /nfs/dbraw/zinc/31/37/14/446313714.db2.gz SCDOOAWFPTTWDR-BQFCYCMXSA-N 2 1 340.508 1.595 20 0 EDADMP CCN1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000365765655 446333810 /nfs/dbraw/zinc/33/38/10/446333810.db2.gz FAILQRUSYJDIGC-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000365765655 446333813 /nfs/dbraw/zinc/33/38/13/446333813.db2.gz FAILQRUSYJDIGC-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000365765655 446333815 /nfs/dbraw/zinc/33/38/15/446333815.db2.gz FAILQRUSYJDIGC-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000365765655 446333816 /nfs/dbraw/zinc/33/38/16/446333816.db2.gz FAILQRUSYJDIGC-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000365765655 446333818 /nfs/dbraw/zinc/33/38/18/446333818.db2.gz FAILQRUSYJDIGC-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)CC1 ZINC000374171246 446355403 /nfs/dbraw/zinc/35/54/03/446355403.db2.gz IZDXYCHLBGHRCA-UHFFFAOYSA-N 2 1 339.480 1.252 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000417503085 446355713 /nfs/dbraw/zinc/35/57/13/446355713.db2.gz LLWXBEZEMLUKCR-ZHALLVOQSA-N 2 1 344.503 1.943 20 0 EDADMP CC[C@H](NC(=O)NCC1C[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417891273 446376839 /nfs/dbraw/zinc/37/68/39/446376839.db2.gz LGTQMUYBLXNVTI-ZWKOTPCHSA-N 2 1 346.475 1.185 20 0 EDADMP CC[C@H](NC(=O)NCC1C[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417891273 446376843 /nfs/dbraw/zinc/37/68/43/446376843.db2.gz LGTQMUYBLXNVTI-ZWKOTPCHSA-N 2 1 346.475 1.185 20 0 EDADMP COC[C@]1(CNC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CCC[NH2+]1 ZINC000417918877 446385434 /nfs/dbraw/zinc/38/54/34/446385434.db2.gz PIQWXPADWGCHMT-FUHWJXTLSA-N 2 1 340.512 1.565 20 0 EDADMP COC[C@@]1(CNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CCC[NH2+]1 ZINC000417929104 446388724 /nfs/dbraw/zinc/38/87/24/446388724.db2.gz NRLIEHKSIXHNNC-WBVHZDCISA-N 2 1 326.485 1.175 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000417933931 446390511 /nfs/dbraw/zinc/39/05/11/446390511.db2.gz FBOCBPCRESZKRS-XWTMOSNGSA-N 2 1 328.460 1.968 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000370788034 446442893 /nfs/dbraw/zinc/44/28/93/446442893.db2.gz POVWBCQZXXUNAL-IAGOWNOFSA-N 2 1 348.516 1.505 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000420274455 446445448 /nfs/dbraw/zinc/44/54/48/446445448.db2.gz OQWCWSVBBWGQAO-IBGZPJMESA-N 2 1 344.503 1.452 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1(C)C ZINC000418180409 446448231 /nfs/dbraw/zinc/44/82/31/446448231.db2.gz YJHWNLYZAJJOER-MRXNPFEDSA-N 2 1 333.480 1.012 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NC[C@@H]2C[NH2+]CCCO2)n1 ZINC000420285787 446450656 /nfs/dbraw/zinc/45/06/56/446450656.db2.gz ZUHPAVLEQZJOTB-UXLLHSPISA-N 2 1 349.479 1.883 20 0 EDADMP COc1ncc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c(C)n1 ZINC000366898987 446403518 /nfs/dbraw/zinc/40/35/18/446403518.db2.gz AJMXURCBJICSCI-INIZCTEOSA-N 2 1 333.480 1.253 20 0 EDADMP COc1ncc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c(C)n1 ZINC000366898987 446403521 /nfs/dbraw/zinc/40/35/21/446403521.db2.gz AJMXURCBJICSCI-INIZCTEOSA-N 2 1 333.480 1.253 20 0 EDADMP Cn1cc(-c2cc(C[N@H+](C)C[C@H]3CCn4cc[nH+]c4C3)on2)cn1 ZINC000366949994 446423139 /nfs/dbraw/zinc/42/31/39/446423139.db2.gz BYINSAYDNURBMY-ZDUSSCGKSA-N 2 1 326.404 1.966 20 0 EDADMP Cn1cc(-c2cc(C[N@@H+](C)C[C@H]3CCn4cc[nH+]c4C3)on2)cn1 ZINC000366949994 446423143 /nfs/dbraw/zinc/42/31/43/446423143.db2.gz BYINSAYDNURBMY-ZDUSSCGKSA-N 2 1 326.404 1.966 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)CC[NH3+])[C@@H]1c1ccccc1 ZINC000418191651 446455243 /nfs/dbraw/zinc/45/52/43/446455243.db2.gz XQEGJXBDPNOOES-PVAVHDDUSA-N 2 1 334.464 1.485 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C)CC[NH3+])[C@@H]1c1ccccc1 ZINC000418191651 446455249 /nfs/dbraw/zinc/45/52/49/446455249.db2.gz XQEGJXBDPNOOES-PVAVHDDUSA-N 2 1 334.464 1.485 20 0 EDADMP O=C1CNCCN1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420307308 446470322 /nfs/dbraw/zinc/47/03/22/446470322.db2.gz LUHOXKFXWVNLLU-CQSZACIVSA-N 2 1 342.365 1.497 20 0 EDADMP O=C1CNCCN1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420307308 446470329 /nfs/dbraw/zinc/47/03/29/446470329.db2.gz LUHOXKFXWVNLLU-CQSZACIVSA-N 2 1 342.365 1.497 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000420306185 446470639 /nfs/dbraw/zinc/47/06/39/446470639.db2.gz AAISTPXVCDOAAL-APWZRJJASA-N 3 1 349.519 1.762 20 0 EDADMP COc1ccc([C@@H](CN)C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000420306185 446470642 /nfs/dbraw/zinc/47/06/42/446470642.db2.gz AAISTPXVCDOAAL-APWZRJJASA-N 2 1 349.519 1.762 20 0 EDADMP COc1ccc([C@@H](CN)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000420306185 446470645 /nfs/dbraw/zinc/47/06/45/446470645.db2.gz AAISTPXVCDOAAL-APWZRJJASA-N 2 1 349.519 1.762 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)[NH+]1CCOCC1 ZINC000423299452 446478563 /nfs/dbraw/zinc/47/85/63/446478563.db2.gz BSQOYLQWBFXFLM-IRXDYDNUSA-N 2 1 325.497 1.757 20 0 EDADMP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322000 446488242 /nfs/dbraw/zinc/48/82/42/446488242.db2.gz DPJUICLBTQOQKC-GOEBONIOSA-N 2 1 349.450 1.518 20 0 EDADMP C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322000 446488246 /nfs/dbraw/zinc/48/82/46/446488246.db2.gz DPJUICLBTQOQKC-GOEBONIOSA-N 2 1 349.450 1.518 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000420323103 446489348 /nfs/dbraw/zinc/48/93/48/446489348.db2.gz FRZYXNKYZYDXHY-BQFCYCMXSA-N 2 1 345.487 1.940 20 0 EDADMP C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000423334022 446493282 /nfs/dbraw/zinc/49/32/82/446493282.db2.gz QGRNUTFDGAZOGW-RBSFLKMASA-N 2 1 333.480 1.727 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418331860 446501666 /nfs/dbraw/zinc/50/16/66/446501666.db2.gz RZSXQUGPUBTYDS-UHFFFAOYSA-N 2 1 344.463 1.798 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000418324017 446498704 /nfs/dbraw/zinc/49/87/04/446498704.db2.gz VJFMJDYKPLQRMR-CQSZACIVSA-N 2 1 326.485 1.135 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000418481818 446558883 /nfs/dbraw/zinc/55/88/83/446558883.db2.gz ABNQNTIFSHWSNY-KRWDZBQOSA-N 2 1 340.512 1.504 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000376533265 446559059 /nfs/dbraw/zinc/55/90/59/446559059.db2.gz QCHKNOJWEVQKCA-GOSISDBHSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420386861 446563425 /nfs/dbraw/zinc/56/34/25/446563425.db2.gz JFSIKSHYHILLCE-TWMKSMIVSA-N 2 1 335.492 1.476 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCc2sccc2C1 ZINC000420346157 446519985 /nfs/dbraw/zinc/51/99/85/446519985.db2.gz XNVYKLDJXSUWRS-LSDHHAIUSA-N 2 1 333.501 1.954 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000423412082 446523425 /nfs/dbraw/zinc/52/34/25/446523425.db2.gz WCFPRFZWHSSLLR-GJZGRUSLSA-N 2 1 333.480 1.584 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418387226 446524912 /nfs/dbraw/zinc/52/49/12/446524912.db2.gz QWFBANVAHXCUMZ-KZNAEPCWSA-N 2 1 328.460 1.512 20 0 EDADMP C[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C[C@H](O)C[NH3+] ZINC000420349486 446526149 /nfs/dbraw/zinc/52/61/49/446526149.db2.gz DAEXIPGPAVLJTJ-GOSISDBHSA-N 2 1 341.455 1.534 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423428236 446532224 /nfs/dbraw/zinc/53/22/24/446532224.db2.gz OENAXCHGGMSSSN-GJZGRUSLSA-N 2 1 333.480 1.871 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000418430980 446540879 /nfs/dbraw/zinc/54/08/79/446540879.db2.gz VRIBGBNSNHTYEN-QZTJIDSGSA-N 2 1 347.507 1.918 20 0 EDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453095034 446543261 /nfs/dbraw/zinc/54/32/61/446543261.db2.gz GWDYBSFOZRROIB-DJIMGWMZSA-N 2 1 326.868 1.942 20 0 EDADMP C[C@H](Cc1cnccn1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000453118841 446544726 /nfs/dbraw/zinc/54/47/26/446544726.db2.gz JAEPNBVEAOTNNL-VQIMIIECSA-N 2 1 326.444 1.634 20 0 EDADMP C[C@H](Cc1cnccn1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000453118841 446544730 /nfs/dbraw/zinc/54/47/30/446544730.db2.gz JAEPNBVEAOTNNL-VQIMIIECSA-N 2 1 326.444 1.634 20 0 EDADMP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423476803 446551546 /nfs/dbraw/zinc/55/15/46/446551546.db2.gz RPFZYHOXPIWDOM-HPBDAGMYSA-N 2 1 349.450 1.402 20 0 EDADMP CNC(=O)NC(=O)[C@@H](C)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000367483928 446554289 /nfs/dbraw/zinc/55/42/89/446554289.db2.gz OWRGALQXIDEWHD-FVQBIDKESA-N 2 1 332.448 1.503 20 0 EDADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000367483928 446554297 /nfs/dbraw/zinc/55/42/97/446554297.db2.gz OWRGALQXIDEWHD-FVQBIDKESA-N 2 1 332.448 1.503 20 0 EDADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420378263 446555042 /nfs/dbraw/zinc/55/50/42/446555042.db2.gz LXUDQXHBIRXIRA-ZBFHGGJFSA-N 2 1 336.484 1.267 20 0 EDADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420378263 446555043 /nfs/dbraw/zinc/55/50/43/446555043.db2.gz LXUDQXHBIRXIRA-ZBFHGGJFSA-N 2 1 336.484 1.267 20 0 EDADMP COc1ccc2c(c1)C[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CO2 ZINC000423505229 446557177 /nfs/dbraw/zinc/55/71/77/446557177.db2.gz GSSZIHDQDIUYLC-ADKAHSJRSA-N 2 1 345.487 1.805 20 0 EDADMP COCC[NH2+]CCNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000418504255 446570219 /nfs/dbraw/zinc/57/02/19/446570219.db2.gz ASXHZZRJSFKBRV-IAGOWNOFSA-N 2 1 348.491 1.527 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000433463736 446577076 /nfs/dbraw/zinc/57/70/76/446577076.db2.gz AHQWKBFNCCTFGF-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000371020869 446578777 /nfs/dbraw/zinc/57/87/77/446578777.db2.gz WIDLWKLKJONTLD-IAGOWNOFSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)NCCCOc2ccccc2F)C[C@@H]1C[NH3+] ZINC000420417320 446591067 /nfs/dbraw/zinc/59/10/67/446591067.db2.gz WJPBZVGFDYZFFJ-GJZGRUSLSA-N 2 1 337.439 1.628 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NCCCOc2ccccc2F)C[C@@H]1C[NH3+] ZINC000420417320 446591071 /nfs/dbraw/zinc/59/10/71/446591071.db2.gz WJPBZVGFDYZFFJ-GJZGRUSLSA-N 2 1 337.439 1.628 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000411548204 446596088 /nfs/dbraw/zinc/59/60/88/446596088.db2.gz DLPYHGJXHZMTOM-BBWFWOEESA-N 2 1 325.497 1.772 20 0 EDADMP C[C@H]1[C@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CCC[N@@H+]1C ZINC000434366483 446644210 /nfs/dbraw/zinc/64/42/10/446644210.db2.gz HFORDKLDBHCFPZ-LSDHHAIUSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H]1[C@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CCC[N@H+]1C ZINC000434366483 446644214 /nfs/dbraw/zinc/64/42/14/446644214.db2.gz HFORDKLDBHCFPZ-LSDHHAIUSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H]1[C@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CCC[NH+]1C ZINC000434366483 446644217 /nfs/dbraw/zinc/64/42/17/446644217.db2.gz HFORDKLDBHCFPZ-LSDHHAIUSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H]1[C@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CCC[NH+]1C ZINC000434366483 446644220 /nfs/dbraw/zinc/64/42/20/446644220.db2.gz HFORDKLDBHCFPZ-LSDHHAIUSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@@H](C)C1 ZINC000418674535 446644337 /nfs/dbraw/zinc/64/43/37/446644337.db2.gz OTBBKORAIPTKQW-XYJFISCASA-N 2 1 348.491 1.563 20 0 EDADMP CN1CCN([C@@H]2CCCC[N@@H+](Cc3c[nH]c4nccnc34)C2)CC1 ZINC000368107222 446645077 /nfs/dbraw/zinc/64/50/77/446645077.db2.gz DMEISIOJWSQALZ-MRXNPFEDSA-N 2 1 328.464 1.511 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3c[nH]c4nccnc34)C2)CC1 ZINC000368107222 446645081 /nfs/dbraw/zinc/64/50/81/446645081.db2.gz DMEISIOJWSQALZ-MRXNPFEDSA-N 2 1 328.464 1.511 20 0 EDADMP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000418691239 446650490 /nfs/dbraw/zinc/65/04/90/446650490.db2.gz XZCZUJMURPSKDA-OKZBNKHCSA-N 2 1 328.460 1.622 20 0 EDADMP CN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423710046 446652566 /nfs/dbraw/zinc/65/25/66/446652566.db2.gz JVAHDQFPEJSZLQ-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP [NH3+][C@@H]1CC[C@@H](C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC000423718991 446657763 /nfs/dbraw/zinc/65/77/63/446657763.db2.gz BODQYIULSCDDHC-QZTJIDSGSA-N 2 1 346.475 1.260 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423732030 446666832 /nfs/dbraw/zinc/66/68/32/446666832.db2.gz SESMYCJRGSJGIO-XGUBFFRZSA-N 2 1 325.453 1.131 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418643427 446627512 /nfs/dbraw/zinc/62/75/12/446627512.db2.gz UODLPUOYCPCLSY-QAPCUYQASA-N 2 1 330.476 1.857 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000418787892 446702623 /nfs/dbraw/zinc/70/26/23/446702623.db2.gz KJZOAKVPHFECBM-WMZOPIPTSA-N 2 1 330.476 1.950 20 0 EDADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418795681 446706960 /nfs/dbraw/zinc/70/69/60/446706960.db2.gz SIDZRRIJOKODIQ-ZHALLVOQSA-N 2 1 346.475 1.050 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000423820228 446710280 /nfs/dbraw/zinc/71/02/80/446710280.db2.gz GSFZVQUWFFPGOZ-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)c1cncc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000420632772 446712820 /nfs/dbraw/zinc/71/28/20/446712820.db2.gz IBGNIAJBJKGWON-IYBDPMFKSA-N 2 1 332.496 1.537 20 0 EDADMP CN(C[C@H]1CCC[N@@H+]1C)c1cncc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000420632772 446712824 /nfs/dbraw/zinc/71/28/24/446712824.db2.gz IBGNIAJBJKGWON-IYBDPMFKSA-N 2 1 332.496 1.537 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)c1cncc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000420632772 446712828 /nfs/dbraw/zinc/71/28/28/446712828.db2.gz IBGNIAJBJKGWON-IYBDPMFKSA-N 2 1 332.496 1.537 20 0 EDADMP Cc1nccn1CCC[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000371251587 446716407 /nfs/dbraw/zinc/71/64/07/446716407.db2.gz NVENMGHMZHQLBB-UHFFFAOYSA-N 2 1 342.447 1.288 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000371251587 446716423 /nfs/dbraw/zinc/71/64/23/446716423.db2.gz NVENMGHMZHQLBB-UHFFFAOYSA-N 2 1 342.447 1.288 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000423835153 446722722 /nfs/dbraw/zinc/72/27/22/446722722.db2.gz FLAZCQKDCGZQKB-SJORKVTESA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cccc(C(N)=O)c3)C2)CC1 ZINC000371266635 446726788 /nfs/dbraw/zinc/72/67/88/446726788.db2.gz OWINUXJFUOTCQA-QGZVFWFLSA-N 2 1 330.476 1.245 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CC[C@@H]21 ZINC000423895650 446750128 /nfs/dbraw/zinc/75/01/28/446750128.db2.gz GCIZDARYDTWHDI-OALUTQOASA-N 2 1 327.472 1.931 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000423933699 446785720 /nfs/dbraw/zinc/78/57/20/446785720.db2.gz SODSBTMZGNPQAZ-KVSKMBFKSA-N 2 1 347.507 1.794 20 0 EDADMP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000368327867 446788718 /nfs/dbraw/zinc/78/87/18/446788718.db2.gz NBVVYHMWKQYXSR-CABCVRRESA-N 2 1 333.457 1.958 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000418940168 446813420 /nfs/dbraw/zinc/81/34/20/446813420.db2.gz GNOXUTGOMJNSAI-WBVHZDCISA-N 2 1 348.491 1.113 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368364934 446813761 /nfs/dbraw/zinc/81/37/61/446813761.db2.gz XZZNIEDEPDNCOR-RCCFBDPRSA-N 2 1 329.444 1.098 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368364934 446813764 /nfs/dbraw/zinc/81/37/64/446813764.db2.gz XZZNIEDEPDNCOR-RCCFBDPRSA-N 2 1 329.444 1.098 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H]4COC[C@@H]4C3)CC2)CC1 ZINC000620132005 450436755 /nfs/dbraw/zinc/43/67/55/450436755.db2.gz FGBQURIGOYVKST-ROUUACIJSA-N 2 1 349.519 1.678 20 0 EDADMP CCc1nn(C)cc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371409293 446838005 /nfs/dbraw/zinc/83/80/05/446838005.db2.gz ZTWADZWPEWTNQY-OAHLLOKOSA-N 2 1 333.480 1.223 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000419048332 446883563 /nfs/dbraw/zinc/88/35/63/446883563.db2.gz VLGBHTXJECMMOP-VYDXJSESSA-N 2 1 346.475 1.052 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412188273 446890569 /nfs/dbraw/zinc/89/05/69/446890569.db2.gz VWXIXFKBIAEELD-COXVUDFISA-N 2 1 337.533 1.803 20 0 EDADMP C[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412275106 446920142 /nfs/dbraw/zinc/92/01/42/446920142.db2.gz WOVUTZXKGQICDE-QXSJWSMHSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412275106 446920145 /nfs/dbraw/zinc/92/01/45/446920145.db2.gz WOVUTZXKGQICDE-QXSJWSMHSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412275106 446920151 /nfs/dbraw/zinc/92/01/51/446920151.db2.gz WOVUTZXKGQICDE-QXSJWSMHSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412275106 446920156 /nfs/dbraw/zinc/92/01/56/446920156.db2.gz WOVUTZXKGQICDE-QXSJWSMHSA-N 2 1 325.497 1.551 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000442756084 446953544 /nfs/dbraw/zinc/95/35/44/446953544.db2.gz DMSBGTSOEUBWQD-WBVHZDCISA-N 2 1 333.476 1.802 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000442756084 446953550 /nfs/dbraw/zinc/95/35/50/446953550.db2.gz DMSBGTSOEUBWQD-WBVHZDCISA-N 2 1 333.476 1.802 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000442763350 446955050 /nfs/dbraw/zinc/95/50/50/446955050.db2.gz ISOUQPWFEAPYBD-KBPBESRZSA-N 2 1 326.462 1.528 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000442763350 446955055 /nfs/dbraw/zinc/95/50/55/446955055.db2.gz ISOUQPWFEAPYBD-KBPBESRZSA-N 2 1 326.462 1.528 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000442762847 446955286 /nfs/dbraw/zinc/95/52/86/446955286.db2.gz FVUXDPYCORDUNF-GJZGRUSLSA-N 2 1 334.439 1.143 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000442762847 446955292 /nfs/dbraw/zinc/95/52/92/446955292.db2.gz FVUXDPYCORDUNF-GJZGRUSLSA-N 2 1 334.439 1.143 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000368598674 446971760 /nfs/dbraw/zinc/97/17/60/446971760.db2.gz RAHKPROEQHIWNC-IHEQNBGGSA-N 2 1 349.519 1.772 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000442766980 446959721 /nfs/dbraw/zinc/95/97/21/446959721.db2.gz LUAAVSCMALYGBK-HKUYNNGSSA-N 2 1 344.503 1.308 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000442766980 446959732 /nfs/dbraw/zinc/95/97/32/446959732.db2.gz LUAAVSCMALYGBK-HKUYNNGSSA-N 2 1 344.503 1.308 20 0 EDADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000372108821 447006888 /nfs/dbraw/zinc/00/68/88/447006888.db2.gz UFZCQBXKAQHQQT-HUUCEWRRSA-N 2 1 344.459 1.530 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000419158545 446974633 /nfs/dbraw/zinc/97/46/33/446974633.db2.gz WMASRCKTLGCLRI-HOTGVXAUSA-N 2 1 340.512 1.104 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000424995047 446986994 /nfs/dbraw/zinc/98/69/94/446986994.db2.gz ZXCFCATYXRQRLX-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000375783826 447044238 /nfs/dbraw/zinc/04/42/38/447044238.db2.gz ANJNVOCCZAERSM-GOEBONIOSA-N 2 1 349.479 1.193 20 0 EDADMP O=C1NCCN1CC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377332108 447071027 /nfs/dbraw/zinc/07/10/27/447071027.db2.gz WXBYVIVFQLSJSM-QZTJIDSGSA-N 2 1 328.460 1.466 20 0 EDADMP O=C1NCCN1CC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377332108 447071030 /nfs/dbraw/zinc/07/10/30/447071030.db2.gz WXBYVIVFQLSJSM-QZTJIDSGSA-N 2 1 328.460 1.466 20 0 EDADMP O=C1NCCN1CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377332108 447071035 /nfs/dbraw/zinc/07/10/35/447071035.db2.gz WXBYVIVFQLSJSM-QZTJIDSGSA-N 2 1 328.460 1.466 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)oc1C ZINC000444168536 447085113 /nfs/dbraw/zinc/08/51/13/447085113.db2.gz OZFYAFNXXMMAMY-VQIMIIECSA-N 2 1 346.475 1.619 20 0 EDADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000455236207 447093126 /nfs/dbraw/zinc/09/31/26/447093126.db2.gz XYTMVIUVKBNNHQ-QGZVFWFLSA-N 2 1 348.491 1.759 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)NC3CCCC3)C2)CC1 ZINC000375908821 447141659 /nfs/dbraw/zinc/14/16/59/447141659.db2.gz YWDNSCJIZWRIDI-SFHVURJKSA-N 2 1 336.524 1.536 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](NC(C)=O)C2)CC1 ZINC000421383217 447145282 /nfs/dbraw/zinc/14/52/82/447145282.db2.gz CLHDKIFZZWSCMF-SFHVURJKSA-N 2 1 330.476 1.539 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000419410105 447159147 /nfs/dbraw/zinc/15/91/47/447159147.db2.gz AIDYOWGNVKRCNO-VQHPVUNQSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419410105 447159151 /nfs/dbraw/zinc/15/91/51/447159151.db2.gz AIDYOWGNVKRCNO-VQHPVUNQSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000419410105 447159157 /nfs/dbraw/zinc/15/91/57/447159157.db2.gz AIDYOWGNVKRCNO-VQHPVUNQSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000445871993 447200585 /nfs/dbraw/zinc/20/05/85/447200585.db2.gz PWVYGYWZVRJUFP-OAHLLOKOSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000455670021 447205616 /nfs/dbraw/zinc/20/56/16/447205616.db2.gz OXIGBZHYPUPBTB-HUUCEWRRSA-N 2 1 336.484 1.687 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[NH+](C(C)(C)COC)CC1)C(C)C ZINC000425453706 447170929 /nfs/dbraw/zinc/17/09/29/447170929.db2.gz ZFDFSFJGQPBRHT-UHFFFAOYSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000425458111 447172753 /nfs/dbraw/zinc/17/27/53/447172753.db2.gz MATOEXJTPKVFTI-WBVHZDCISA-N 2 1 336.524 1.486 20 0 EDADMP C[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000425458111 447172760 /nfs/dbraw/zinc/17/27/60/447172760.db2.gz MATOEXJTPKVFTI-WBVHZDCISA-N 2 1 336.524 1.486 20 0 EDADMP Cc1cc(N2CCC([N@H+](C)CCN3CCNC3=O)CC2)nc(C)[nH+]1 ZINC000377588106 447227619 /nfs/dbraw/zinc/22/76/19/447227619.db2.gz NZEZFFATAUQFST-UHFFFAOYSA-N 2 1 332.452 1.019 20 0 EDADMP Cc1cc(N2CCC([N@@H+](C)CCN3CCNC3=O)CC2)nc(C)[nH+]1 ZINC000377588106 447227623 /nfs/dbraw/zinc/22/76/23/447227623.db2.gz NZEZFFATAUQFST-UHFFFAOYSA-N 2 1 332.452 1.019 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000376046463 447233445 /nfs/dbraw/zinc/23/34/45/447233445.db2.gz ZKLWXODZKVRLCH-NJAFHUGGSA-N 2 1 333.476 1.719 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)[C@@H](C)C[N@H+]1CCO ZINC000419528282 447243566 /nfs/dbraw/zinc/24/35/66/447243566.db2.gz WRQJPONPCZDCNA-OWCLPIDISA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)[C@@H](C)C[NH+]1CCO ZINC000419528282 447243570 /nfs/dbraw/zinc/24/35/70/447243570.db2.gz WRQJPONPCZDCNA-OWCLPIDISA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)[C@@H](C)C[NH+]1CCO ZINC000419528282 447243576 /nfs/dbraw/zinc/24/35/76/447243576.db2.gz WRQJPONPCZDCNA-OWCLPIDISA-N 2 1 340.512 1.203 20 0 EDADMP CC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n(C)c1 ZINC000377639744 447264595 /nfs/dbraw/zinc/26/45/95/447264595.db2.gz KOWSBKHSJBBKFY-KRWDZBQOSA-N 2 1 346.475 1.468 20 0 EDADMP COC(=O)c1cc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cn1C ZINC000377640881 447266130 /nfs/dbraw/zinc/26/61/30/447266130.db2.gz CADLYRMELNRPGD-UHFFFAOYSA-N 2 1 349.475 1.887 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cn1C ZINC000377640881 447266135 /nfs/dbraw/zinc/26/61/35/447266135.db2.gz CADLYRMELNRPGD-UHFFFAOYSA-N 2 1 349.475 1.887 20 0 EDADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Cn1cccn1 ZINC000383346439 447465680 /nfs/dbraw/zinc/46/56/80/447465680.db2.gz MQCSCERAIGNKLR-RTBURBONSA-N 2 1 328.460 1.746 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](OC)C1CC1 ZINC000458845692 447489136 /nfs/dbraw/zinc/48/91/36/447489136.db2.gz DJFQLHPIPSCDPP-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000389904124 447489386 /nfs/dbraw/zinc/48/93/86/447489386.db2.gz FYRJPYIIOPAUMX-HIFRSBDPSA-N 2 1 344.484 1.895 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419930125 447496598 /nfs/dbraw/zinc/49/65/98/447496598.db2.gz NRFLXFGGMMUOTA-IRXDYDNUSA-N 2 1 346.475 1.135 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390656285 447496694 /nfs/dbraw/zinc/49/66/94/447496694.db2.gz WMFCUKWGFMRDLC-PMPSAXMXSA-N 2 1 341.496 1.942 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000427310432 447579386 /nfs/dbraw/zinc/57/93/86/447579386.db2.gz UIABPWCAALUUHM-BBRMVZONSA-N 2 1 330.432 1.074 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000427310432 447579389 /nfs/dbraw/zinc/57/93/89/447579389.db2.gz UIABPWCAALUUHM-BBRMVZONSA-N 2 1 330.432 1.074 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)[N@@H+]1CCO ZINC000416246997 447547767 /nfs/dbraw/zinc/54/77/67/447547767.db2.gz OBIWIFRTBNQRDT-JZXOWHBKSA-N 2 1 333.476 1.593 20 0 EDADMP CC(C)n1ncnc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397646122 447551240 /nfs/dbraw/zinc/55/12/40/447551240.db2.gz VEIJWHAVPIXTHD-UHFFFAOYSA-N 2 1 343.475 1.976 20 0 EDADMP C[NH+](C)C1(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000416298622 447558733 /nfs/dbraw/zinc/55/87/33/447558733.db2.gz DBVYCFBYBJTUKT-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP O[C@H]1C[NH+](Cc2cc(C[N@H+]3C[C@@H](O)C4(CC4)C3)ccc2F)CC12CC2 ZINC000450756243 447564760 /nfs/dbraw/zinc/56/47/60/447564760.db2.gz GFSOXXFIQVEOOH-MSOLQXFVSA-N 2 1 346.446 1.739 20 0 EDADMP O[C@H]1C[NH+](Cc2cc(C[N@@H+]3C[C@@H](O)C4(CC4)C3)ccc2F)CC12CC2 ZINC000450756243 447564765 /nfs/dbraw/zinc/56/47/65/447564765.db2.gz GFSOXXFIQVEOOH-MSOLQXFVSA-N 2 1 346.446 1.739 20 0 EDADMP O[C@H]1C[N@@H+](Cc2cc(C[NH+]3C[C@@H](O)C4(CC4)C3)ccc2F)CC12CC2 ZINC000450756243 447564770 /nfs/dbraw/zinc/56/47/70/447564770.db2.gz GFSOXXFIQVEOOH-MSOLQXFVSA-N 2 1 346.446 1.739 20 0 EDADMP O[C@H]1C[N@H+](Cc2cc(C[NH+]3C[C@@H](O)C4(CC4)C3)ccc2F)CC12CC2 ZINC000450756243 447564774 /nfs/dbraw/zinc/56/47/74/447564774.db2.gz GFSOXXFIQVEOOH-MSOLQXFVSA-N 2 1 346.446 1.739 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495908811 447635444 /nfs/dbraw/zinc/63/54/44/447635444.db2.gz FLHAJTWWIYWEBF-CVEARBPZSA-N 2 1 343.512 1.878 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495908811 447635456 /nfs/dbraw/zinc/63/54/56/447635456.db2.gz FLHAJTWWIYWEBF-CVEARBPZSA-N 2 1 343.512 1.878 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495908811 447635457 /nfs/dbraw/zinc/63/54/57/447635457.db2.gz FLHAJTWWIYWEBF-CVEARBPZSA-N 2 1 343.512 1.878 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CC[NH+](CC2CC2)CC1 ZINC000457857540 447651700 /nfs/dbraw/zinc/65/17/00/447651700.db2.gz MSENPPQAUZGHEK-KRWDZBQOSA-N 2 1 338.496 1.007 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000404200369 447595432 /nfs/dbraw/zinc/59/54/32/447595432.db2.gz JVMIRLWCLNSLFL-SLFFLAALSA-N 2 1 347.503 1.274 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404200369 447595437 /nfs/dbraw/zinc/59/54/37/447595437.db2.gz JVMIRLWCLNSLFL-SLFFLAALSA-N 2 1 347.503 1.274 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000404200369 447595444 /nfs/dbraw/zinc/59/54/44/447595444.db2.gz JVMIRLWCLNSLFL-SLFFLAALSA-N 2 1 347.503 1.274 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000459409637 447655962 /nfs/dbraw/zinc/65/59/62/447655962.db2.gz RFFDEDABTFRCAS-UHFFFAOYSA-N 2 1 344.503 1.694 20 0 EDADMP CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CCC(C[NH3+])CC2)n1 ZINC000420194131 447664709 /nfs/dbraw/zinc/66/47/09/447664709.db2.gz ZUEWEAVDOACAIL-DOTOQJQBSA-N 2 1 333.480 2.267 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(NCC[C@@H]2CC[NH2+]C2)n1 ZINC000420203752 447669038 /nfs/dbraw/zinc/66/90/38/447669038.db2.gz ZTSIMJVXRGVYGY-ZOBUZTSGSA-N 2 1 333.480 1.347 20 0 EDADMP CC[NH2+]CC1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000420219883 447675138 /nfs/dbraw/zinc/67/51/38/447675138.db2.gz XTBVEBMAJGTEPI-UHFFFAOYSA-N 2 1 345.447 2.055 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000422631550 447678700 /nfs/dbraw/zinc/67/87/00/447678700.db2.gz FQHIASKKAIVRJJ-VYDXJSESSA-N 2 1 333.476 1.959 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000422631550 447678708 /nfs/dbraw/zinc/67/87/08/447678708.db2.gz FQHIASKKAIVRJJ-VYDXJSESSA-N 2 1 333.476 1.959 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000422632993 447680589 /nfs/dbraw/zinc/68/05/89/447680589.db2.gz HQHTULHFKTXRPN-ILXRZTDVSA-N 2 1 337.439 1.626 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000422632993 447680595 /nfs/dbraw/zinc/68/05/95/447680595.db2.gz HQHTULHFKTXRPN-ILXRZTDVSA-N 2 1 337.439 1.626 20 0 EDADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422641362 447685478 /nfs/dbraw/zinc/68/54/78/447685478.db2.gz XVWZCRWTWCILOW-RBGFHDKUSA-N 2 1 338.496 1.696 20 0 EDADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422641362 447685482 /nfs/dbraw/zinc/68/54/82/447685482.db2.gz XVWZCRWTWCILOW-RBGFHDKUSA-N 2 1 338.496 1.696 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416921219 447710026 /nfs/dbraw/zinc/71/00/26/447710026.db2.gz NBRYITQHJQNYEN-ZNMIVQPWSA-N 2 1 328.501 1.547 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416921219 447710031 /nfs/dbraw/zinc/71/00/31/447710031.db2.gz NBRYITQHJQNYEN-ZNMIVQPWSA-N 2 1 328.501 1.547 20 0 EDADMP C[C@@H]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000416929363 447712201 /nfs/dbraw/zinc/71/22/01/447712201.db2.gz IVASGIQEKXUKLV-WCVJEAGWSA-N 2 1 340.512 1.643 20 0 EDADMP C[C@@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000416929363 447712207 /nfs/dbraw/zinc/71/22/07/447712207.db2.gz IVASGIQEKXUKLV-WCVJEAGWSA-N 2 1 340.512 1.643 20 0 EDADMP COC(=O)[C@@H](CC(C)C)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000451260085 447716202 /nfs/dbraw/zinc/71/62/02/447716202.db2.gz IGMMIHMHQPFDGI-QGZVFWFLSA-N 2 1 327.513 1.922 20 0 EDADMP CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000451262274 447717445 /nfs/dbraw/zinc/71/74/45/447717445.db2.gz XEKVJBDHAIINOP-KSZLIROESA-N 2 1 333.476 1.498 20 0 EDADMP CC(C)C[C@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000416940041 447717650 /nfs/dbraw/zinc/71/76/50/447717650.db2.gz OIMDEIVRINSTPW-HZPDHXFCSA-N 2 1 326.485 1.032 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000458156971 447730572 /nfs/dbraw/zinc/73/05/72/447730572.db2.gz HSKDNNKPCNYDJW-QGZVFWFLSA-N 2 1 340.512 1.397 20 0 EDADMP COc1cccc([C@H](CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)[NH+](C)C)c1 ZINC000422727110 447731275 /nfs/dbraw/zinc/73/12/75/447731275.db2.gz GQIDVVVGBXAICF-IPMKNSEASA-N 2 1 333.476 1.655 20 0 EDADMP Cc1ccc(NCCCNC(=O)NC[C@H]([NH3+])c2ccccc2)[nH+]c1 ZINC000417060322 447732120 /nfs/dbraw/zinc/73/21/20/447732120.db2.gz JTAJDYZKQSUONO-INIZCTEOSA-N 2 1 327.432 2.191 20 0 EDADMP C[C@@H]([NH2+]CCCN1CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000422838939 447765459 /nfs/dbraw/zinc/76/54/59/447765459.db2.gz YUALRZPEYIRCQX-QUCCMNQESA-N 2 1 330.520 1.782 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000458337851 447772265 /nfs/dbraw/zinc/77/22/65/447772265.db2.gz REMQSLKPYPFXJR-IAGOWNOFSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000458337851 447772268 /nfs/dbraw/zinc/77/22/68/447772268.db2.gz REMQSLKPYPFXJR-IAGOWNOFSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000458337851 447772273 /nfs/dbraw/zinc/77/22/73/447772273.db2.gz REMQSLKPYPFXJR-IAGOWNOFSA-N 2 1 340.512 1.253 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000422931992 447775382 /nfs/dbraw/zinc/77/53/82/447775382.db2.gz DLFIXPMEIAWBAX-NEPJUHHUSA-N 2 1 333.523 1.994 20 0 EDADMP CC[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422956226 447780079 /nfs/dbraw/zinc/78/00/79/447780079.db2.gz OTEGLHVVPKDKGI-ZWKOTPCHSA-N 2 1 336.524 1.441 20 0 EDADMP CC[C@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422963538 447782289 /nfs/dbraw/zinc/78/22/89/447782289.db2.gz GFNORDDHXXBFIC-AABGKKOBSA-N 2 1 331.504 1.916 20 0 EDADMP C[N@@H+](C[C@H](O)CN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)C1CC1 ZINC000496438659 447783209 /nfs/dbraw/zinc/78/32/09/447783209.db2.gz PDQNWUWMCPPRHD-KBMXLJTQSA-N 2 1 339.480 1.383 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])s1 ZINC000422999558 447789522 /nfs/dbraw/zinc/78/95/22/447789522.db2.gz SQWXVANHPGJWPB-QWHCGFSZSA-N 2 1 331.507 1.584 20 0 EDADMP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1S(N)(=O)=O ZINC000423018046 447791403 /nfs/dbraw/zinc/79/14/03/447791403.db2.gz PZBWWBREWHLJDE-JSGCOSHPSA-N 2 1 341.477 1.005 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000431392238 447801354 /nfs/dbraw/zinc/80/13/54/447801354.db2.gz YOJJTYVVXCMOLK-YNEHKIRRSA-N 2 1 335.414 1.963 20 0 EDADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000431392238 447801355 /nfs/dbraw/zinc/80/13/55/447801355.db2.gz YOJJTYVVXCMOLK-YNEHKIRRSA-N 2 1 335.414 1.963 20 0 EDADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000431392238 447801357 /nfs/dbraw/zinc/80/13/57/447801357.db2.gz YOJJTYVVXCMOLK-YNEHKIRRSA-N 2 1 335.414 1.963 20 0 EDADMP Cn1ccnc1[C@H]1CC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496653349 447841526 /nfs/dbraw/zinc/84/15/26/447841526.db2.gz BWZIMSRKCUTPQM-SUMWQHHRSA-N 2 1 338.452 1.485 20 0 EDADMP Cc1ccc(NC(=O)CC[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)nc1 ZINC000576030252 447955018 /nfs/dbraw/zinc/95/50/18/447955018.db2.gz SGGOIPLTPVPKJR-MRXNPFEDSA-N 2 1 334.464 1.401 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000524300520 447925201 /nfs/dbraw/zinc/92/52/01/447925201.db2.gz VMYXDFULSQGUBQ-IRXDYDNUSA-N 2 1 330.476 1.265 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000524300520 447925208 /nfs/dbraw/zinc/92/52/08/447925208.db2.gz VMYXDFULSQGUBQ-IRXDYDNUSA-N 2 1 330.476 1.265 20 0 EDADMP O=C(N1CC[C@H]([NH+]2CCCC2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530815009 447963561 /nfs/dbraw/zinc/96/35/61/447963561.db2.gz GMZPEGXIUYAWNO-ICSRJNTNSA-N 2 1 343.471 1.320 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCc2nnnn2-c2ccccc2)[C@H]2CCC[C@H]21 ZINC000552055506 447931575 /nfs/dbraw/zinc/93/15/75/447931575.db2.gz QVIJGUUPLOWVTO-IXDOHACOSA-N 2 1 326.448 1.667 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000525273949 447986968 /nfs/dbraw/zinc/98/69/68/447986968.db2.gz PDWXMNXTECOPMF-QGZVFWFLSA-N 2 1 347.507 1.968 20 0 EDADMP CCC(CC)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)N1CCOCC1 ZINC000525670400 448008187 /nfs/dbraw/zinc/00/81/87/448008187.db2.gz JZOQIMUWOIAMLN-WMZOPIPTSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531050775 448009263 /nfs/dbraw/zinc/00/92/63/448009263.db2.gz SOOPJPVDRNRYTG-PXNSSMCTSA-N 2 1 345.487 1.614 20 0 EDADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531050775 448009267 /nfs/dbraw/zinc/00/92/67/448009267.db2.gz SOOPJPVDRNRYTG-PXNSSMCTSA-N 2 1 345.487 1.614 20 0 EDADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531050775 448009271 /nfs/dbraw/zinc/00/92/71/448009271.db2.gz SOOPJPVDRNRYTG-PXNSSMCTSA-N 2 1 345.487 1.614 20 0 EDADMP CO[C@H]1C[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C12CCC2 ZINC000576563385 448083971 /nfs/dbraw/zinc/08/39/71/448083971.db2.gz QDQMSZKWROMNBD-CVEARBPZSA-N 2 1 331.464 1.276 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571438802 448154720 /nfs/dbraw/zinc/15/47/20/448154720.db2.gz FTPLPSBIDZYUSU-DSLXNQLJSA-N 2 1 345.487 1.780 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571438802 448154724 /nfs/dbraw/zinc/15/47/24/448154724.db2.gz FTPLPSBIDZYUSU-DSLXNQLJSA-N 2 1 345.487 1.780 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1 ZINC000509342505 448149828 /nfs/dbraw/zinc/14/98/28/448149828.db2.gz HSBSWVFLHXHRQR-KURKYZTESA-N 2 1 349.475 1.319 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000557032553 448177482 /nfs/dbraw/zinc/17/74/82/448177482.db2.gz PRSBFIZGZSCFTF-GASCZTMLSA-N 2 1 346.475 1.905 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000557032553 448177486 /nfs/dbraw/zinc/17/74/86/448177486.db2.gz PRSBFIZGZSCFTF-GASCZTMLSA-N 2 1 346.475 1.905 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000557113487 448181083 /nfs/dbraw/zinc/18/10/83/448181083.db2.gz IASMRUJVLABLFG-NVXWUHKLSA-N 2 1 340.512 1.504 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000532210071 448216644 /nfs/dbraw/zinc/21/66/44/448216644.db2.gz OCKFBOLZWJZHMY-JTDSTZFVSA-N 2 1 345.487 1.977 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H](O)Cc2ccccc2)CC1 ZINC000527526859 448249124 /nfs/dbraw/zinc/24/91/24/448249124.db2.gz LCTVPLOTMKYNAL-SFHVURJKSA-N 2 1 340.427 1.376 20 0 EDADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000515497296 448322388 /nfs/dbraw/zinc/32/23/88/448322388.db2.gz WEAJYZLZJLWFRO-ZWKOTPCHSA-N 2 1 336.476 1.419 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000515497296 448322391 /nfs/dbraw/zinc/32/23/91/448322391.db2.gz WEAJYZLZJLWFRO-ZWKOTPCHSA-N 2 1 336.476 1.419 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000515234698 448279621 /nfs/dbraw/zinc/27/96/21/448279621.db2.gz MAGOMAPSNYYXCE-PMACEKPBSA-N 2 1 347.503 1.106 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000515234698 448279628 /nfs/dbraw/zinc/27/96/28/448279628.db2.gz MAGOMAPSNYYXCE-PMACEKPBSA-N 2 1 347.503 1.106 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)C2 ZINC000572120774 448293302 /nfs/dbraw/zinc/29/33/02/448293302.db2.gz AFDCXRWHMBHJSA-GZRFBZBPSA-N 2 1 343.471 1.795 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)C[C@H]3CCC[NH2+]CC3)CC2)cn1 ZINC000515350494 448296342 /nfs/dbraw/zinc/29/63/42/448296342.db2.gz OEOGTDYMOYILHD-INIZCTEOSA-N 2 1 333.480 1.234 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)C[C@H]3CCC[NH2+]CC3)CC2)cn1 ZINC000515350494 448296349 /nfs/dbraw/zinc/29/63/49/448296349.db2.gz OEOGTDYMOYILHD-INIZCTEOSA-N 2 1 333.480 1.234 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000572132763 448297861 /nfs/dbraw/zinc/29/78/61/448297861.db2.gz NOJAEJFXAZGEKL-SFHVURJKSA-N 2 1 333.476 1.593 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572132763 448297868 /nfs/dbraw/zinc/29/78/68/448297868.db2.gz NOJAEJFXAZGEKL-SFHVURJKSA-N 2 1 333.476 1.593 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572132763 448297874 /nfs/dbraw/zinc/29/78/74/448297874.db2.gz NOJAEJFXAZGEKL-SFHVURJKSA-N 2 1 333.476 1.593 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000572133633 448298642 /nfs/dbraw/zinc/29/86/42/448298642.db2.gz HXOJHQBPURJBLA-OAHLLOKOSA-N 2 1 334.464 1.370 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000527766984 448356541 /nfs/dbraw/zinc/35/65/41/448356541.db2.gz IPSUXJZHJHHRPB-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527766984 448356545 /nfs/dbraw/zinc/35/65/45/448356545.db2.gz IPSUXJZHJHHRPB-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527766984 448356547 /nfs/dbraw/zinc/35/65/47/448356547.db2.gz IPSUXJZHJHHRPB-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000582844787 448356763 /nfs/dbraw/zinc/35/67/63/448356763.db2.gz MZKRKFKVCAKTCR-MSOLQXFVSA-N 2 1 331.460 1.536 20 0 EDADMP O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000582844787 448356767 /nfs/dbraw/zinc/35/67/67/448356767.db2.gz MZKRKFKVCAKTCR-MSOLQXFVSA-N 2 1 331.460 1.536 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000577682867 448357447 /nfs/dbraw/zinc/35/74/47/448357447.db2.gz RGRZYRBLXHKXPL-ARFHVFGLSA-N 2 1 340.512 1.022 20 0 EDADMP CN(C)c1cc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c2ccccc2n1 ZINC000515637188 448336490 /nfs/dbraw/zinc/33/64/90/448336490.db2.gz GOOAKEMGZFBJIL-MRXNPFEDSA-N 2 1 328.460 1.846 20 0 EDADMP CN(C)c1cc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c2ccccc2n1 ZINC000515637188 448336494 /nfs/dbraw/zinc/33/64/94/448336494.db2.gz GOOAKEMGZFBJIL-MRXNPFEDSA-N 2 1 328.460 1.846 20 0 EDADMP Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c(C)n1 ZINC000572488110 448391899 /nfs/dbraw/zinc/39/18/99/448391899.db2.gz KMVFGSZPYGCXBX-HNNXBMFYSA-N 2 1 332.448 1.792 20 0 EDADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC(F)(F)C[NH3+] ZINC000572418934 448374063 /nfs/dbraw/zinc/37/40/63/448374063.db2.gz LXVNMDUKEXVSST-HNNXBMFYSA-N 2 1 325.403 1.951 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC(F)(F)C[NH3+] ZINC000572418934 448374070 /nfs/dbraw/zinc/37/40/70/448374070.db2.gz LXVNMDUKEXVSST-HNNXBMFYSA-N 2 1 325.403 1.951 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000572640899 448429920 /nfs/dbraw/zinc/42/99/20/448429920.db2.gz JXDILRBZKNVBAL-ROUUACIJSA-N 2 1 345.487 1.893 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC[N@@H+]1CCOC ZINC000566294525 448438113 /nfs/dbraw/zinc/43/81/13/448438113.db2.gz FGESNYKDKKBCHS-ZWKOTPCHSA-N 2 1 333.476 1.516 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC[N@H+]1CCOC ZINC000566294525 448438117 /nfs/dbraw/zinc/43/81/17/448438117.db2.gz FGESNYKDKKBCHS-ZWKOTPCHSA-N 2 1 333.476 1.516 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000572719280 448447404 /nfs/dbraw/zinc/44/74/04/448447404.db2.gz SBXSAULIZFEXDW-CRAIPNDOSA-N 2 1 330.476 1.986 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)C2)C1 ZINC000566459769 448480432 /nfs/dbraw/zinc/48/04/32/448480432.db2.gz BKBXLOBJPLIPPY-FUHWJXTLSA-N 2 1 337.533 1.758 20 0 EDADMP NC(=O)C[N@@H+]1CCc2ccc(NC3CC[NH+](CC4CC4)CC3)cc2C1 ZINC000578301229 448508342 /nfs/dbraw/zinc/50/83/42/448508342.db2.gz SAHVIQQIMMTNDH-UHFFFAOYSA-N 2 1 342.487 1.816 20 0 EDADMP NC(=O)C[N@H+]1CCc2ccc(NC3CC[NH+](CC4CC4)CC3)cc2C1 ZINC000578301229 448508347 /nfs/dbraw/zinc/50/83/47/448508347.db2.gz SAHVIQQIMMTNDH-UHFFFAOYSA-N 2 1 342.487 1.816 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000573008173 448522433 /nfs/dbraw/zinc/52/24/33/448522433.db2.gz WWQKWQYSFIHEJX-SFHVURJKSA-N 2 1 337.464 1.186 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000573008173 448522435 /nfs/dbraw/zinc/52/24/35/448522435.db2.gz WWQKWQYSFIHEJX-SFHVURJKSA-N 2 1 337.464 1.186 20 0 EDADMP C[C@@H](NC(=O)N1CCC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000578489418 448558047 /nfs/dbraw/zinc/55/80/47/448558047.db2.gz XYYQOUOYPBUQRR-SJLPKXTDSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@@H](NC(=O)N1CCC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000578489418 448558050 /nfs/dbraw/zinc/55/80/50/448558050.db2.gz XYYQOUOYPBUQRR-SJLPKXTDSA-N 2 1 346.475 1.281 20 0 EDADMP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)C2=O)n(C)n1 ZINC000517376085 448578120 /nfs/dbraw/zinc/57/81/20/448578120.db2.gz HIVYKGPSBAXNFS-XHSDSOJGSA-N 2 1 331.464 1.155 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000578546874 448578373 /nfs/dbraw/zinc/57/83/73/448578373.db2.gz RNGVJARXDVGWNZ-HKUYNNGSSA-N 2 1 344.503 1.433 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000517473830 448584421 /nfs/dbraw/zinc/58/44/21/448584421.db2.gz VIYBJCXLWUXKHE-INIZCTEOSA-N 2 1 330.476 1.686 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000517473830 448584425 /nfs/dbraw/zinc/58/44/25/448584425.db2.gz VIYBJCXLWUXKHE-INIZCTEOSA-N 2 1 330.476 1.686 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000517473830 448584427 /nfs/dbraw/zinc/58/44/27/448584427.db2.gz VIYBJCXLWUXKHE-INIZCTEOSA-N 2 1 330.476 1.686 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC2)[C@@H](C)C1 ZINC000517495980 448587218 /nfs/dbraw/zinc/58/72/18/448587218.db2.gz XTBNLZWXVPNEPM-ZWKOTPCHSA-N 2 1 339.524 1.578 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000518144580 448649343 /nfs/dbraw/zinc/64/93/43/448649343.db2.gz OFSLQAVZYYXEHO-IVSAIRAKSA-N 2 1 331.464 1.748 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@@]1(C)C[NH3+] ZINC000584838407 448650724 /nfs/dbraw/zinc/65/07/24/448650724.db2.gz NUODLZAHORRFMK-HHXXYDBFSA-N 2 1 330.476 1.737 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@H](O)COC(C)C)CC1 ZINC000573675981 448686993 /nfs/dbraw/zinc/68/69/93/448686993.db2.gz FSCAFJZGSZHSCR-FQEVSTJZSA-N 2 1 349.519 1.700 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@]3(C)CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000573688506 448690246 /nfs/dbraw/zinc/69/02/46/448690246.db2.gz TVPTVUACHQYRLL-JTDSTZFVSA-N 2 1 337.508 1.866 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000518561258 448692075 /nfs/dbraw/zinc/69/20/75/448692075.db2.gz JNERFCLXNOUPEY-HXUWFJFHSA-N 2 1 345.487 1.472 20 0 EDADMP CC1(C)CC[NH+](CC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000518561258 448692078 /nfs/dbraw/zinc/69/20/78/448692078.db2.gz JNERFCLXNOUPEY-HXUWFJFHSA-N 2 1 345.487 1.472 20 0 EDADMP CC1(C)CC[NH+](CC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000518561258 448692081 /nfs/dbraw/zinc/69/20/81/448692081.db2.gz JNERFCLXNOUPEY-HXUWFJFHSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C[N@H+]1C1CC1 ZINC000579086613 448710414 /nfs/dbraw/zinc/71/04/14/448710414.db2.gz FOPOIZRCDIGKSP-JSGCOSHPSA-N 2 1 342.443 1.012 20 0 EDADMP C[N@H+](CCNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C1CCCC1 ZINC000579090678 448711221 /nfs/dbraw/zinc/71/12/21/448711221.db2.gz HFKQNTBSZPVURS-QGZVFWFLSA-N 2 1 331.464 1.612 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C1CCCC1 ZINC000579090678 448711227 /nfs/dbraw/zinc/71/12/27/448711227.db2.gz HFKQNTBSZPVURS-QGZVFWFLSA-N 2 1 331.464 1.612 20 0 EDADMP C[NH+]1CCC(n2ccc(NC(=O)NCC[C@@H]3CCC[N@@H+](C)C3)n2)CC1 ZINC000567566295 448714364 /nfs/dbraw/zinc/71/43/64/448714364.db2.gz PVIYTOKAFSUKGH-HNNXBMFYSA-N 2 1 348.495 2.003 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@H]1C[C@H](OC)C[NH2+]1)c1ccccc1 ZINC000567592258 448719294 /nfs/dbraw/zinc/71/92/94/448719294.db2.gz UCPAGDTZSLLMNF-OKZBNKHCSA-N 2 1 349.475 1.189 20 0 EDADMP C[C@@H]1C[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000519162005 448748727 /nfs/dbraw/zinc/74/87/27/448748727.db2.gz WQONOPZGZZFQAQ-UYAOXDASSA-N 2 1 330.520 1.877 20 0 EDADMP C[C@@H]1C[C@H](N(C)CCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000519162005 448748731 /nfs/dbraw/zinc/74/87/31/448748731.db2.gz WQONOPZGZZFQAQ-UYAOXDASSA-N 3 1 330.520 1.877 20 0 EDADMP C[C@@H]1C[C@H](N(C)CCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000519162005 448748736 /nfs/dbraw/zinc/74/87/36/448748736.db2.gz WQONOPZGZZFQAQ-UYAOXDASSA-N 3 1 330.520 1.877 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)CCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000519162005 448748740 /nfs/dbraw/zinc/74/87/40/448748740.db2.gz WQONOPZGZZFQAQ-UYAOXDASSA-N 3 1 330.520 1.877 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)CCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000519162005 448748746 /nfs/dbraw/zinc/74/87/46/448748746.db2.gz WQONOPZGZZFQAQ-UYAOXDASSA-N 3 1 330.520 1.877 20 0 EDADMP C[C@@H]1C[C@H]([N@H+](C)CCN2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000519162005 448748749 /nfs/dbraw/zinc/74/87/49/448748749.db2.gz WQONOPZGZZFQAQ-UYAOXDASSA-N 3 1 330.520 1.877 20 0 EDADMP C[C@@H]1C[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000519162005 448748755 /nfs/dbraw/zinc/74/87/55/448748755.db2.gz WQONOPZGZZFQAQ-UYAOXDASSA-N 3 1 330.520 1.877 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000519271116 448755372 /nfs/dbraw/zinc/75/53/72/448755372.db2.gz VLHLOSXLOKXPRB-MSOLQXFVSA-N 2 1 328.460 1.600 20 0 EDADMP O=C([C@@H]1CCC[NH+](Cc2cccnc2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000519271116 448755376 /nfs/dbraw/zinc/75/53/76/448755376.db2.gz VLHLOSXLOKXPRB-MSOLQXFVSA-N 2 1 328.460 1.600 20 0 EDADMP O=C([C@@H]1CCC[NH+](Cc2cccnc2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000519271116 448755379 /nfs/dbraw/zinc/75/53/79/448755379.db2.gz VLHLOSXLOKXPRB-MSOLQXFVSA-N 2 1 328.460 1.600 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000567912512 448781811 /nfs/dbraw/zinc/78/18/11/448781811.db2.gz LDFSPXRZBDTGFG-LJQANCHMSA-N 2 1 345.487 1.689 20 0 EDADMP COCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567912512 448781817 /nfs/dbraw/zinc/78/18/17/448781817.db2.gz LDFSPXRZBDTGFG-LJQANCHMSA-N 2 1 345.487 1.689 20 0 EDADMP COCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567912512 448781825 /nfs/dbraw/zinc/78/18/25/448781825.db2.gz LDFSPXRZBDTGFG-LJQANCHMSA-N 2 1 345.487 1.689 20 0 EDADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)ccc21 ZINC000579560068 448820386 /nfs/dbraw/zinc/82/03/86/448820386.db2.gz GMPLLTOXBRTIKJ-AEFFLSMTSA-N 2 1 332.448 1.424 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCO)CC3CC3)CC2)CC1 ZINC000568195629 448832911 /nfs/dbraw/zinc/83/29/11/448832911.db2.gz MNOLHZAHCKFRHK-UHFFFAOYSA-N 2 1 337.508 1.414 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000568210722 448837508 /nfs/dbraw/zinc/83/75/08/448837508.db2.gz IFRYCWBOHJFBFM-LSDHHAIUSA-N 2 1 342.447 1.531 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000568210722 448837513 /nfs/dbraw/zinc/83/75/13/448837513.db2.gz IFRYCWBOHJFBFM-LSDHHAIUSA-N 2 1 342.447 1.531 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC[N@H+]1CCOC ZINC000529354866 448838688 /nfs/dbraw/zinc/83/86/88/448838688.db2.gz KMDGHKMSGIZKJY-HZPDHXFCSA-N 2 1 338.496 1.413 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N[C@H]1CCC[NH2+]C1 ZINC000579812064 448881597 /nfs/dbraw/zinc/88/15/97/448881597.db2.gz MXIYPJXJKYSWAQ-KRWDZBQOSA-N 2 1 332.448 1.070 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000592558579 448900366 /nfs/dbraw/zinc/90/03/66/448900366.db2.gz BYODQBCVPQUGBA-HOCLYGCPSA-N 2 1 339.480 1.251 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000520403934 448892508 /nfs/dbraw/zinc/89/25/08/448892508.db2.gz GLQYEBFKCFJEHD-LAQRGFTBSA-N 2 1 348.491 1.294 20 0 EDADMP CCO[C@@]1(C)C[C@H]1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000529856712 448986597 /nfs/dbraw/zinc/98/65/97/448986597.db2.gz RYCPYZLVMLYMGM-MJGOQNOKSA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000521314947 448970840 /nfs/dbraw/zinc/97/08/40/448970840.db2.gz AFELPLRZLULOCI-AEFFLSMTSA-N 2 1 339.524 1.993 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000569337554 449006033 /nfs/dbraw/zinc/00/60/33/449006033.db2.gz GOMUVAVGGXPUBT-OWCLPIDISA-N 2 1 327.517 1.170 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000569367041 449015656 /nfs/dbraw/zinc/01/56/56/449015656.db2.gz XASGVNMSJXJHQK-MSOLQXFVSA-N 2 1 333.476 1.688 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000582127569 449019055 /nfs/dbraw/zinc/01/90/55/449019055.db2.gz ZOHBTKXIYFJVTD-LPHOPBHVSA-N 2 1 348.491 1.799 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000582171040 449027651 /nfs/dbraw/zinc/02/76/51/449027651.db2.gz BVXGLRSZZVDOBI-JKSUJKDBSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000521986779 449036066 /nfs/dbraw/zinc/03/60/66/449036066.db2.gz WBYYONTXTJSYGL-PMPSAXMXSA-N 2 1 338.496 1.399 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2N2CCOCC2)CC12CCOCC2 ZINC000582181360 449032255 /nfs/dbraw/zinc/03/22/55/449032255.db2.gz STYAZYXFHYSSEZ-SFHVURJKSA-N 2 1 345.487 1.711 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000521974561 449033356 /nfs/dbraw/zinc/03/33/56/449033356.db2.gz HZIARWHNVIDSET-YVSFHVDLSA-N 2 1 338.496 1.364 20 0 EDADMP C[N@@H+](CCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)C1CCCCC1 ZINC000592958416 449081192 /nfs/dbraw/zinc/08/11/92/449081192.db2.gz YKPVGNZTKNLPCV-CQSZACIVSA-N 2 1 333.480 1.714 20 0 EDADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000575172899 449053415 /nfs/dbraw/zinc/05/34/15/449053415.db2.gz SNDNNAOHNMKUQP-ZSYWTGECSA-N 2 1 337.508 1.111 20 0 EDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000569618186 449058151 /nfs/dbraw/zinc/05/81/51/449058151.db2.gz CUIYRADXNQKTFQ-WDEREUQCSA-N 2 1 338.839 1.579 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+]([C@@H]3CCN(C4CCCCC4)C3=O)C2)nn1 ZINC000530221453 449086886 /nfs/dbraw/zinc/08/68/86/449086886.db2.gz FQIBAQXQFBOMOD-IAGOWNOFSA-N 2 1 346.479 1.307 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@H+]([C@@H]3CCN(C4CCCCC4)C3=O)C2)nn1 ZINC000530221453 449086891 /nfs/dbraw/zinc/08/68/91/449086891.db2.gz FQIBAQXQFBOMOD-IAGOWNOFSA-N 2 1 346.479 1.307 20 0 EDADMP CC(C)CCC(=O)NCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000600051271 449160118 /nfs/dbraw/zinc/16/01/18/449160118.db2.gz JGBBTMLMVYSPDY-UHFFFAOYSA-N 2 1 347.463 1.324 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)nc1 ZINC000593737657 449171884 /nfs/dbraw/zinc/17/18/84/449171884.db2.gz SFONIYYUCJLISL-ZOBUZTSGSA-N 2 1 333.432 1.587 20 0 EDADMP COC(=O)Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000600184696 449231941 /nfs/dbraw/zinc/23/19/41/449231941.db2.gz IVWMDHNQHZKTAY-SFHVURJKSA-N 2 1 332.444 1.745 20 0 EDADMP COC(=O)[C@@H](C[C@H]1CCCOC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000600204635 449242666 /nfs/dbraw/zinc/24/26/66/449242666.db2.gz BHZDAZRNMZPTGL-CRAIPNDOSA-N 2 1 347.459 1.998 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCCC[NH+](C)C)[C@@H](C)C1 ZINC000604631127 449266548 /nfs/dbraw/zinc/26/65/48/449266548.db2.gz IOGWOCWBIWOUPV-HOTGVXAUSA-N 2 1 328.501 1.374 20 0 EDADMP O=C([C@H]1CCc2[nH]cnc2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000611740250 449403260 /nfs/dbraw/zinc/40/32/60/449403260.db2.gz LGOQBIDZENLNPY-HNNXBMFYSA-N 2 1 346.475 1.618 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000616994711 449420009 /nfs/dbraw/zinc/42/00/09/449420009.db2.gz DERDULMGVXSHMF-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000616994711 449420015 /nfs/dbraw/zinc/42/00/15/449420015.db2.gz DERDULMGVXSHMF-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP CCn1ccnc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000606470432 449475198 /nfs/dbraw/zinc/47/51/98/449475198.db2.gz RHBFMFJTHZXPTE-UHFFFAOYSA-N 2 1 329.448 1.484 20 0 EDADMP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)C[N@@H+](C)C1CCC1 ZINC000600816069 449560727 /nfs/dbraw/zinc/56/07/27/449560727.db2.gz BVAICDADRIHWHH-UHFFFAOYSA-N 2 1 327.469 1.203 20 0 EDADMP C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@H+]1CCC[C@H](C)C1 ZINC000607231503 449588227 /nfs/dbraw/zinc/58/82/27/449588227.db2.gz VUIGHPLDTFNYAL-DLBZAZTESA-N 3 1 341.544 1.242 20 0 EDADMP Cc1noc2ncc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc12 ZINC000617504500 449649348 /nfs/dbraw/zinc/64/93/48/449649348.db2.gz YOCZNPIKOFGSLJ-LBPRGKRZSA-N 2 1 333.436 1.533 20 0 EDADMP Cc1noc2ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc12 ZINC000617504500 449649352 /nfs/dbraw/zinc/64/93/52/449649352.db2.gz YOCZNPIKOFGSLJ-LBPRGKRZSA-N 2 1 333.436 1.533 20 0 EDADMP CCN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000617554886 449685239 /nfs/dbraw/zinc/68/52/39/449685239.db2.gz LVYFIYPSSUKEPD-LJQANCHMSA-N 2 1 344.503 1.600 20 0 EDADMP COc1ccc(F)cc1CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507368 449658990 /nfs/dbraw/zinc/65/89/90/449658990.db2.gz UCYAKIQTKPKPEM-AWEZNQCLSA-N 2 1 339.455 1.765 20 0 EDADMP COc1ccc(F)cc1CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507368 449658999 /nfs/dbraw/zinc/65/89/99/449658999.db2.gz UCYAKIQTKPKPEM-AWEZNQCLSA-N 2 1 339.455 1.765 20 0 EDADMP Cc1csc([C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000617507690 449659620 /nfs/dbraw/zinc/65/96/20/449659620.db2.gz GALIFWJMHQRQMV-GXTWGEPZSA-N 2 1 326.510 1.943 20 0 EDADMP Cc1csc([C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617507690 449659627 /nfs/dbraw/zinc/65/96/27/449659627.db2.gz GALIFWJMHQRQMV-GXTWGEPZSA-N 2 1 326.510 1.943 20 0 EDADMP CCN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000617554665 449685648 /nfs/dbraw/zinc/68/56/48/449685648.db2.gz HKAJLEVIMQZGTO-IBGZPJMESA-N 2 1 344.503 1.751 20 0 EDADMP CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000617551369 449682489 /nfs/dbraw/zinc/68/24/89/449682489.db2.gz PZEFUNXPSUFVBK-HOTGVXAUSA-N 2 1 325.522 1.757 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000617503781 449646078 /nfs/dbraw/zinc/64/60/78/449646078.db2.gz YXPSDWKUCGVNFC-ZDUSSCGKSA-N 2 1 348.447 1.019 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000617503781 449646080 /nfs/dbraw/zinc/64/60/80/449646080.db2.gz YXPSDWKUCGVNFC-ZDUSSCGKSA-N 2 1 348.447 1.019 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000617556789 449688217 /nfs/dbraw/zinc/68/82/17/449688217.db2.gz XNPBPNVXNSZALM-ZWKOTPCHSA-N 2 1 330.476 1.846 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CC[NH+](C)C1 ZINC000617556789 449688225 /nfs/dbraw/zinc/68/82/25/449688225.db2.gz XNPBPNVXNSZALM-ZWKOTPCHSA-N 2 1 330.476 1.846 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1CC[NH+](C)C1 ZINC000617556789 449688231 /nfs/dbraw/zinc/68/82/31/449688231.db2.gz XNPBPNVXNSZALM-ZWKOTPCHSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)NCCc1cn2c(n1)CCCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000601253770 449776969 /nfs/dbraw/zinc/77/69/69/449776969.db2.gz DHHXHKBZPVFBSQ-INIZCTEOSA-N 2 1 331.464 1.640 20 0 EDADMP C[NH+]1CCC(CC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000617701988 449747156 /nfs/dbraw/zinc/74/71/56/449747156.db2.gz FVYVSYSYYWUHTM-IBGZPJMESA-N 2 1 345.487 1.601 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC[N@H+]1C ZINC000601312934 449822261 /nfs/dbraw/zinc/82/22/61/449822261.db2.gz OBGRMDZYASWPAC-FGTMMUONSA-N 2 1 336.524 1.344 20 0 EDADMP COC(=O)c1oc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1C ZINC000597078318 449801259 /nfs/dbraw/zinc/80/12/59/449801259.db2.gz LUWDFGSLAATENA-UHFFFAOYSA-N 2 1 347.415 2.000 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000612814023 449888691 /nfs/dbraw/zinc/88/86/91/449888691.db2.gz QAZBWFYXFCJKIR-NVXWUHKLSA-N 2 1 329.448 1.540 20 0 EDADMP CC[NH+](CC)Cc1cccc(CNC(=O)CN2CC[NH+](C)CC2)c1 ZINC000599323962 449891949 /nfs/dbraw/zinc/89/19/49/449891949.db2.gz YKUFJUGNNBYADT-UHFFFAOYSA-N 2 1 332.492 1.392 20 0 EDADMP C[C@H]1COCC[N@H+]1C1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC000615089358 449950401 /nfs/dbraw/zinc/95/04/01/449950401.db2.gz JBPOCYFPJQYVOZ-GOEBONIOSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@H]1COCC[NH+]1C1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000615089358 449950405 /nfs/dbraw/zinc/95/04/05/449950405.db2.gz JBPOCYFPJQYVOZ-GOEBONIOSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@H]1COCC[NH+]1C1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000615089358 449950409 /nfs/dbraw/zinc/95/04/09/449950409.db2.gz JBPOCYFPJQYVOZ-GOEBONIOSA-N 2 1 341.521 1.135 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)Cc2ccccc2C1 ZINC000608675783 449905628 /nfs/dbraw/zinc/90/56/28/449905628.db2.gz VZAYOCHCZCOLLJ-INIZCTEOSA-N 2 1 344.503 1.727 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@]3(C)CC[NH2+]C3)c2)CCO1 ZINC000612873209 449919752 /nfs/dbraw/zinc/91/97/52/449919752.db2.gz ZIJITMQVDMLOFP-DNVCBOLYSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@]3(C)CC[NH2+]C3)c2)CCO1 ZINC000612873209 449919758 /nfs/dbraw/zinc/91/97/58/449919758.db2.gz ZIJITMQVDMLOFP-DNVCBOLYSA-N 2 1 346.475 1.459 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)C1 ZINC000615445792 450099832 /nfs/dbraw/zinc/09/98/32/450099832.db2.gz VRHJPQPUGXQOSV-KRWDZBQOSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)C1 ZINC000615445792 450099839 /nfs/dbraw/zinc/09/98/39/450099839.db2.gz VRHJPQPUGXQOSV-KRWDZBQOSA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+](C)CC1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000615507016 450118259 /nfs/dbraw/zinc/11/82/59/450118259.db2.gz VRVIAPINMLWYFO-UHFFFAOYSA-N 2 1 335.358 1.839 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3COc4ccccc4O3)C2)CC1 ZINC000610250276 450164775 /nfs/dbraw/zinc/16/47/75/450164775.db2.gz LZUCABGOKSLNSC-QZTJIDSGSA-N 2 1 345.487 1.927 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000603586917 450329576 /nfs/dbraw/zinc/32/95/76/450329576.db2.gz BHPKZZZJHQCYGQ-INIZCTEOSA-N 2 1 345.491 1.782 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000619900632 450368859 /nfs/dbraw/zinc/36/88/59/450368859.db2.gz XDMLXYPDBXUHHN-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000619900632 450368864 /nfs/dbraw/zinc/36/88/64/450368864.db2.gz XDMLXYPDBXUHHN-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000619900632 450368868 /nfs/dbraw/zinc/36/88/68/450368868.db2.gz XDMLXYPDBXUHHN-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000619900632 450368874 /nfs/dbraw/zinc/36/88/74/450368874.db2.gz XDMLXYPDBXUHHN-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619971757 450388251 /nfs/dbraw/zinc/38/82/51/450388251.db2.gz WXEXZXWWGFTRNV-YYIAUSFCSA-N 2 1 335.492 1.619 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619971757 450388257 /nfs/dbraw/zinc/38/82/57/450388257.db2.gz WXEXZXWWGFTRNV-YYIAUSFCSA-N 2 1 335.492 1.619 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)o1 ZINC000620485564 450502521 /nfs/dbraw/zinc/50/25/21/450502521.db2.gz UDKXAXPOJDMWPY-MRXNPFEDSA-N 2 1 349.475 1.793 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3nccn3C)CC2)CC1 ZINC000620605666 450520740 /nfs/dbraw/zinc/52/07/40/450520740.db2.gz IHGHSUJLAAWTCS-OAHLLOKOSA-N 2 1 347.507 1.794 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000620724149 450533925 /nfs/dbraw/zinc/53/39/25/450533925.db2.gz WSBKZHUABMZKCZ-MSOLQXFVSA-N 2 1 330.476 1.013 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000620724149 450533927 /nfs/dbraw/zinc/53/39/27/450533927.db2.gz WSBKZHUABMZKCZ-MSOLQXFVSA-N 2 1 330.476 1.013 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000620724149 450533929 /nfs/dbraw/zinc/53/39/29/450533929.db2.gz WSBKZHUABMZKCZ-MSOLQXFVSA-N 2 1 330.476 1.013 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000620724149 450533930 /nfs/dbraw/zinc/53/39/30/450533930.db2.gz WSBKZHUABMZKCZ-MSOLQXFVSA-N 2 1 330.476 1.013 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000623710067 450569091 /nfs/dbraw/zinc/56/90/91/450569091.db2.gz SNVWMKHZHFXANC-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000623710067 450569093 /nfs/dbraw/zinc/56/90/93/450569093.db2.gz SNVWMKHZHFXANC-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000623710067 450569096 /nfs/dbraw/zinc/56/90/96/450569096.db2.gz SNVWMKHZHFXANC-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000626075828 450569489 /nfs/dbraw/zinc/56/94/89/450569489.db2.gz WFFZCAAWRQZUPX-IBGZPJMESA-N 2 1 344.503 1.987 20 0 EDADMP CC[NH+]1CCN(CCC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000621106013 450581392 /nfs/dbraw/zinc/58/13/92/450581392.db2.gz CDAGOJLWVWZZBZ-GOSISDBHSA-N 2 1 336.524 1.252 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000621106013 450581394 /nfs/dbraw/zinc/58/13/94/450581394.db2.gz CDAGOJLWVWZZBZ-GOSISDBHSA-N 2 1 336.524 1.252 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000621106013 450581396 /nfs/dbraw/zinc/58/13/96/450581396.db2.gz CDAGOJLWVWZZBZ-GOSISDBHSA-N 2 1 336.524 1.252 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000621153672 450601957 /nfs/dbraw/zinc/60/19/57/450601957.db2.gz XFEXWDQOYPJPDD-IEBWSBKVSA-N 2 1 331.460 1.080 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000635140027 450686218 /nfs/dbraw/zinc/68/62/18/450686218.db2.gz QJBMQULEKKKXCW-GOSISDBHSA-N 2 1 331.460 1.477 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000635140027 450686221 /nfs/dbraw/zinc/68/62/21/450686221.db2.gz QJBMQULEKKKXCW-GOSISDBHSA-N 2 1 331.460 1.477 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000631663860 450702690 /nfs/dbraw/zinc/70/26/90/450702690.db2.gz QCASXCLJNPGXJF-OAHLLOKOSA-N 2 1 331.457 1.300 20 0 EDADMP FC(F)CN1CCC[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000624097894 450706054 /nfs/dbraw/zinc/70/60/54/450706054.db2.gz ILLVVTKMKROALQ-CVEARBPZSA-N 2 1 331.451 1.949 20 0 EDADMP O[C@@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000629560322 450735959 /nfs/dbraw/zinc/73/59/59/450735959.db2.gz QWMFOVBLQSZFAY-UXHICEINSA-N 2 1 331.504 1.597 20 0 EDADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNC[C@H](O)C[NH+]1CCCC1 ZINC000629584240 450749234 /nfs/dbraw/zinc/74/92/34/450749234.db2.gz MZIFGWQTKSQSOF-PMACEKPBSA-N 2 1 347.503 1.190 20 0 EDADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629584240 450749236 /nfs/dbraw/zinc/74/92/36/450749236.db2.gz MZIFGWQTKSQSOF-PMACEKPBSA-N 3 1 347.503 1.190 20 0 EDADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629584240 450749241 /nfs/dbraw/zinc/74/92/41/450749241.db2.gz MZIFGWQTKSQSOF-PMACEKPBSA-N 3 1 347.503 1.190 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)CC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000621642528 450808412 /nfs/dbraw/zinc/80/84/12/450808412.db2.gz POTTVZTZDYDQAG-IXDOHACOSA-N 2 1 325.497 1.772 20 0 EDADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+](Cc3cccnc3)C1)C2 ZINC000621693084 450836749 /nfs/dbraw/zinc/83/67/49/450836749.db2.gz TZHFBBZVCQYCDD-AOIWGVFYSA-N 2 1 328.460 1.633 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)CC1 ZINC000633458369 450860408 /nfs/dbraw/zinc/86/04/08/450860408.db2.gz CMQDNPCLVOAUDF-QUCCMNQESA-N 2 1 349.519 1.964 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)CC1 ZINC000633458369 450860412 /nfs/dbraw/zinc/86/04/12/450860412.db2.gz CMQDNPCLVOAUDF-QUCCMNQESA-N 2 1 349.519 1.964 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[N@H+]1C ZINC000631910378 450869304 /nfs/dbraw/zinc/86/93/04/450869304.db2.gz DCGIQQWOTMVVTK-BSDSXHPESA-N 2 1 337.508 1.601 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635412157 450918291 /nfs/dbraw/zinc/91/82/91/450918291.db2.gz ZYGMFUPUCYWHRR-MRXNPFEDSA-N 2 1 339.524 1.972 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C[N@H+](C)C1CCC1 ZINC000629964006 450922886 /nfs/dbraw/zinc/92/28/86/450922886.db2.gz VFIKJKMKRYPEFW-UHFFFAOYSA-N 2 1 344.503 1.751 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C[N@@H+](C)C1CCC1 ZINC000629964006 450922889 /nfs/dbraw/zinc/92/28/89/450922889.db2.gz VFIKJKMKRYPEFW-UHFFFAOYSA-N 2 1 344.503 1.751 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631965010 450923075 /nfs/dbraw/zinc/92/30/75/450923075.db2.gz QTQOVQDEKBVGAY-IAGOWNOFSA-N 2 1 345.553 1.854 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000635472752 450971936 /nfs/dbraw/zinc/97/19/36/450971936.db2.gz PYRUQQHIDKBUSB-BZSNNMDCSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000626948199 451027853 /nfs/dbraw/zinc/02/78/53/451027853.db2.gz OXNJNFUFZPIZTD-QLFBSQMISA-N 2 1 326.485 1.160 20 0 EDADMP O=C(NC1CC([NH+]2CCOCC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000627930523 451028201 /nfs/dbraw/zinc/02/82/01/451028201.db2.gz KASYMHFIGOVFKW-UHFFFAOYSA-N 2 1 343.471 1.875 20 0 EDADMP [NH3+]CCCOCCNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000626954781 451032351 /nfs/dbraw/zinc/03/23/51/451032351.db2.gz LPRUVBRMFUSHLF-GOSISDBHSA-N 2 1 348.491 1.706 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)oc1C ZINC000635553137 451050518 /nfs/dbraw/zinc/05/05/18/451050518.db2.gz YXEBMCWCPOPBMV-KRWDZBQOSA-N 2 1 348.491 1.961 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)oc1C ZINC000635553137 451050523 /nfs/dbraw/zinc/05/05/23/451050523.db2.gz YXEBMCWCPOPBMV-KRWDZBQOSA-N 2 1 348.491 1.961 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1ccc(C(F)F)n1 ZINC000628050614 451105245 /nfs/dbraw/zinc/10/52/45/451105245.db2.gz IHCIXYOQHBNIRT-LBPRGKRZSA-N 2 1 331.411 1.209 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1ccc(C(F)F)n1 ZINC000628050614 451105249 /nfs/dbraw/zinc/10/52/49/451105249.db2.gz IHCIXYOQHBNIRT-LBPRGKRZSA-N 2 1 331.411 1.209 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000635784618 451237611 /nfs/dbraw/zinc/23/76/11/451237611.db2.gz GLIHWDYFRMDBCO-OALUTQOASA-N 2 1 345.487 1.744 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000635784618 451237612 /nfs/dbraw/zinc/23/76/12/451237612.db2.gz GLIHWDYFRMDBCO-OALUTQOASA-N 2 1 345.487 1.744 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000635784618 451237617 /nfs/dbraw/zinc/23/76/17/451237617.db2.gz GLIHWDYFRMDBCO-OALUTQOASA-N 2 1 345.487 1.744 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000635787688 451240008 /nfs/dbraw/zinc/24/00/08/451240008.db2.gz YDGMEZDCZIETJY-QAPCUYQASA-N 2 1 331.460 1.211 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000635787688 451240010 /nfs/dbraw/zinc/24/00/10/451240010.db2.gz YDGMEZDCZIETJY-QAPCUYQASA-N 2 1 331.460 1.211 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000635787688 451240012 /nfs/dbraw/zinc/24/00/12/451240012.db2.gz YDGMEZDCZIETJY-QAPCUYQASA-N 2 1 331.460 1.211 20 0 EDADMP [NH3+]C[C@@]1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCCOC1 ZINC000638085521 451249709 /nfs/dbraw/zinc/24/97/09/451249709.db2.gz MEVRWJHNXTYNPW-QUCCMNQESA-N 2 1 345.487 1.423 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000630590975 451265715 /nfs/dbraw/zinc/26/57/15/451265715.db2.gz AHSVTWHQFWHVGE-SFHVURJKSA-N 2 1 341.459 1.449 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000638103068 451270834 /nfs/dbraw/zinc/27/08/34/451270834.db2.gz YZCIZHDIGLDKBW-MOPGFXCFSA-N 2 1 344.503 1.533 20 0 EDADMP CC(C)[NH+]1CC(NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000635821914 451271263 /nfs/dbraw/zinc/27/12/63/451271263.db2.gz MPHFDTATAHODSY-UHFFFAOYSA-N 2 1 345.447 1.126 20 0 EDADMP COC[C@@]1(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCCC[NH2+]1 ZINC000638111933 451279935 /nfs/dbraw/zinc/27/99/35/451279935.db2.gz HGKQMTZNTWKDDO-VQIMIIECSA-N 2 1 333.476 1.782 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000638238655 451373723 /nfs/dbraw/zinc/37/37/23/451373723.db2.gz BVUBYIFOKAWTSZ-MOPGFXCFSA-N 2 1 344.503 1.294 20 0 EDADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCCNC(=O)C2)c2cccs2)CC1 ZINC000638288689 451406568 /nfs/dbraw/zinc/40/65/68/451406568.db2.gz XRNSXVJRWHPILJ-HUUCEWRRSA-N 2 1 336.505 1.295 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000638299682 451414474 /nfs/dbraw/zinc/41/44/74/451414474.db2.gz PDYUWLQNQKYANV-QWFCFKBJSA-N 2 1 345.487 1.876 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000638299682 451414479 /nfs/dbraw/zinc/41/44/79/451414479.db2.gz PDYUWLQNQKYANV-QWFCFKBJSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000630811344 451415583 /nfs/dbraw/zinc/41/55/83/451415583.db2.gz KFDIIXAYLKFOOR-HNNXBMFYSA-N 2 1 335.496 1.685 20 0 EDADMP Nc1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c(N)n1 ZINC000638313310 451425519 /nfs/dbraw/zinc/42/55/19/451425519.db2.gz TWTZULGMEPYEEA-UHFFFAOYSA-N 2 1 326.448 1.577 20 0 EDADMP CO[C@@]1(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CCOC1 ZINC000638355639 451457728 /nfs/dbraw/zinc/45/77/28/451457728.db2.gz OZWNQSVIBFQZJG-VQTJNVASSA-N 2 1 347.503 1.760 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000638370630 451468782 /nfs/dbraw/zinc/46/87/82/451468782.db2.gz MCOUTOKNKKXXQG-OKILXGFUSA-N 2 1 343.493 1.775 20 0 EDADMP O=C1CCCCN1CCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634703512 451479190 /nfs/dbraw/zinc/47/91/90/451479190.db2.gz XHEVMAZUDJNBRQ-HXUWFJFHSA-N 2 1 345.487 1.616 20 0 EDADMP O=C1CCCCN1CCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634703512 451479196 /nfs/dbraw/zinc/47/91/96/451479196.db2.gz XHEVMAZUDJNBRQ-HXUWFJFHSA-N 2 1 345.487 1.616 20 0 EDADMP O[C@]1(C[NH2+]CCCOC2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634706509 451483901 /nfs/dbraw/zinc/48/39/01/451483901.db2.gz QJVIXQSAZGDYSM-FQEVSTJZSA-N 2 1 348.487 1.799 20 0 EDADMP O[C@]1(C[NH2+]CCCOC2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634706509 451483905 /nfs/dbraw/zinc/48/39/05/451483905.db2.gz QJVIXQSAZGDYSM-FQEVSTJZSA-N 2 1 348.487 1.799 20 0 EDADMP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCC(F)(F)C[NH3+])C1 ZINC000640676438 451504398 /nfs/dbraw/zinc/50/43/98/451504398.db2.gz JOVDXBOKAGBAQO-CQSZACIVSA-N 2 1 326.391 1.496 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCC(F)(F)C[NH3+])C1 ZINC000640676438 451504402 /nfs/dbraw/zinc/50/44/02/451504402.db2.gz JOVDXBOKAGBAQO-CQSZACIVSA-N 2 1 326.391 1.496 20 0 EDADMP Nc1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(N)n1 ZINC000638447894 451521336 /nfs/dbraw/zinc/52/13/36/451521336.db2.gz OMGCFDKAQSNIPD-GFCCVEGCSA-N 2 1 332.477 1.365 20 0 EDADMP Nc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(N)n1 ZINC000638447894 451521343 /nfs/dbraw/zinc/52/13/43/451521343.db2.gz OMGCFDKAQSNIPD-GFCCVEGCSA-N 2 1 332.477 1.365 20 0 EDADMP CC[N@H+]1CCC[C@H](C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000638450554 451521780 /nfs/dbraw/zinc/52/17/80/451521780.db2.gz GLFNYCXVUKHLGZ-CQSZACIVSA-N 2 1 331.526 1.558 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000638511475 451553110 /nfs/dbraw/zinc/55/31/10/451553110.db2.gz AMAZPUZEMJFABE-OKZBNKHCSA-N 2 1 331.460 1.472 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000629167770 451575482 /nfs/dbraw/zinc/57/54/82/451575482.db2.gz SLEZYPFMPAPCQH-GOSISDBHSA-N 2 1 331.460 1.469 20 0 EDADMP [NH3+]CC1(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000638633636 451622865 /nfs/dbraw/zinc/62/28/65/451622865.db2.gz CIMYBGAXWVGPLD-QGZVFWFLSA-N 2 1 331.460 1.523 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000638653528 451632744 /nfs/dbraw/zinc/63/27/44/451632744.db2.gz LITZYJJDFXJFFI-RDJZCZTQSA-N 2 1 339.528 1.314 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000638653528 451632750 /nfs/dbraw/zinc/63/27/50/451632750.db2.gz LITZYJJDFXJFFI-RDJZCZTQSA-N 2 1 339.528 1.314 20 0 EDADMP C[N@@H+](CCN1CCN(CC23CC(C2)C[NH2+]3)CC1)Cc1ccccc1 ZINC000634992762 451640274 /nfs/dbraw/zinc/64/02/74/451640274.db2.gz ZZMRDXSPHOVLBY-UHFFFAOYSA-N 2 1 328.504 1.488 20 0 EDADMP Nc1ccc(-c2cccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000634994550 451641528 /nfs/dbraw/zinc/64/15/28/451641528.db2.gz HEWSMHNOABQMKS-LJQANCHMSA-N 2 1 337.471 1.810 20 0 EDADMP C[C@@H](C(=O)N1CCCCCC1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640900137 451682208 /nfs/dbraw/zinc/68/22/08/451682208.db2.gz BARQOGXIMGLSNA-HNNXBMFYSA-N 2 1 348.495 1.207 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C2)cc1 ZINC000632956026 451667929 /nfs/dbraw/zinc/66/79/29/451667929.db2.gz SQSQRBCUNIJREJ-ZIAGYGMSSA-N 2 1 344.381 1.758 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926158 451738362 /nfs/dbraw/zinc/73/83/62/451738362.db2.gz WBQVVWZJYQABQI-KSZLIROESA-N 2 1 329.444 1.240 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926158 451738363 /nfs/dbraw/zinc/73/83/63/451738363.db2.gz WBQVVWZJYQABQI-KSZLIROESA-N 2 1 329.444 1.240 20 0 EDADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccco1 ZINC000637139399 451739245 /nfs/dbraw/zinc/73/92/45/451739245.db2.gz JYQAULOTGBSQBQ-KKUMJFAQSA-N 2 1 338.452 1.075 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641090297 451747252 /nfs/dbraw/zinc/74/72/52/451747252.db2.gz GNICNMYKZZIWKN-IRXDYDNUSA-N 3 1 339.528 1.186 20 0 EDADMP C[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)[C@H]([NH3+])c1ccccc1 ZINC000638987095 451747339 /nfs/dbraw/zinc/74/73/39/451747339.db2.gz KUFHGTIANRLRQS-KSSFIOAISA-N 2 1 339.443 1.766 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)o3)C2)CC1 ZINC000639175896 451786195 /nfs/dbraw/zinc/78/61/95/451786195.db2.gz AVAAKHQOVBVVIL-CYBMUJFWSA-N 2 1 327.450 1.091 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)o3)C2)CC1 ZINC000639175896 451786198 /nfs/dbraw/zinc/78/61/98/451786198.db2.gz AVAAKHQOVBVVIL-CYBMUJFWSA-N 2 1 327.450 1.091 20 0 EDADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000639257341 451799331 /nfs/dbraw/zinc/79/93/31/451799331.db2.gz MJCLDNHMLPOKTQ-AWEZNQCLSA-N 2 1 331.526 1.558 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000649102162 451846763 /nfs/dbraw/zinc/84/67/63/451846763.db2.gz WFGNHEKGRDUYQW-FGTMMUONSA-N 2 1 331.460 1.169 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000649102162 451846771 /nfs/dbraw/zinc/84/67/71/451846771.db2.gz WFGNHEKGRDUYQW-FGTMMUONSA-N 2 1 331.460 1.169 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000649102162 451846775 /nfs/dbraw/zinc/84/67/75/451846775.db2.gz WFGNHEKGRDUYQW-FGTMMUONSA-N 2 1 331.460 1.169 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000649102162 451846782 /nfs/dbraw/zinc/84/67/82/451846782.db2.gz WFGNHEKGRDUYQW-FGTMMUONSA-N 2 1 331.460 1.169 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653348824 451859632 /nfs/dbraw/zinc/85/96/32/451859632.db2.gz TYRAZIRCBDYUFR-BSDSXHPESA-N 2 1 337.508 1.996 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000644617962 451898277 /nfs/dbraw/zinc/89/82/77/451898277.db2.gz QHORCVIAXRLMBH-FUHWJXTLSA-N 2 1 331.460 1.080 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000644617962 451898280 /nfs/dbraw/zinc/89/82/80/451898280.db2.gz QHORCVIAXRLMBH-FUHWJXTLSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)[C@@H](C)C1 ZINC000637469964 451887324 /nfs/dbraw/zinc/88/73/24/451887324.db2.gz GVPUDHRIPVCXAP-ZOBUZTSGSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)[C@@H](C)C1 ZINC000637469964 451887329 /nfs/dbraw/zinc/88/73/29/451887329.db2.gz GVPUDHRIPVCXAP-ZOBUZTSGSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)[C@@H](C)C1 ZINC000637469964 451887336 /nfs/dbraw/zinc/88/73/36/451887336.db2.gz GVPUDHRIPVCXAP-ZOBUZTSGSA-N 2 1 338.496 1.100 20 0 EDADMP O=C(NC[C@H]1CC[NH+]1C1CCCC1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000637470195 451887541 /nfs/dbraw/zinc/88/75/41/451887541.db2.gz JTQPTQNPPJRISP-DLBZAZTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)NC[C@@H]1CCC[NH+]1CCCO ZINC000637470195 451887550 /nfs/dbraw/zinc/88/75/50/451887550.db2.gz JTQPTQNPPJRISP-DLBZAZTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)NC[C@@H]1CCC[NH+]1CCCO ZINC000637470195 451887554 /nfs/dbraw/zinc/88/75/54/451887554.db2.gz JTQPTQNPPJRISP-DLBZAZTESA-N 2 1 338.496 1.149 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642750479 451949632 /nfs/dbraw/zinc/94/96/32/451949632.db2.gz BQOXPJVAXITQAZ-HOTGVXAUSA-N 2 1 338.496 1.016 20 0 EDADMP Cc1ncc(CNC(=O)CC[N@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000639543950 451934904 /nfs/dbraw/zinc/93/49/04/451934904.db2.gz RJQACGPFGKNEKP-UHFFFAOYSA-N 2 1 335.477 1.985 20 0 EDADMP Cc1ncc(CNC(=O)CC[N@@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000639543950 451934910 /nfs/dbraw/zinc/93/49/10/451934910.db2.gz RJQACGPFGKNEKP-UHFFFAOYSA-N 2 1 335.477 1.985 20 0 EDADMP CN(CC[N@H+](C)C[C@H]1COc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000639549866 451940187 /nfs/dbraw/zinc/94/01/87/451940187.db2.gz ILPKLSIZEOUJIN-KRWDZBQOSA-N 2 1 333.476 1.784 20 0 EDADMP CN(CC[N@@H+](C)C[C@H]1COc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000639549866 451940192 /nfs/dbraw/zinc/94/01/92/451940192.db2.gz ILPKLSIZEOUJIN-KRWDZBQOSA-N 2 1 333.476 1.784 20 0 EDADMP CC(C)(CNC(=O)[C@H]1C[NH2+]CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000649292558 451967495 /nfs/dbraw/zinc/96/74/95/451967495.db2.gz PDSRXPPYYSZICS-KRWDZBQOSA-N 2 1 331.460 1.176 20 0 EDADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@]3(N)CC[N@@H+](C)C3)c2)CC1 ZINC000649310813 451988243 /nfs/dbraw/zinc/98/82/43/451988243.db2.gz DNAMVSMIHNAKCU-HXUWFJFHSA-N 2 1 344.503 1.568 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)CC2)cs1 ZINC000644814827 452007303 /nfs/dbraw/zinc/00/73/03/452007303.db2.gz MMSLLGAXVCTAER-DOTOQJQBSA-N 2 1 348.516 1.826 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)CC2)cs1 ZINC000644814827 452007313 /nfs/dbraw/zinc/00/73/13/452007313.db2.gz MMSLLGAXVCTAER-DOTOQJQBSA-N 2 1 348.516 1.826 20 0 EDADMP CN(C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000637669890 452011216 /nfs/dbraw/zinc/01/12/16/452011216.db2.gz SKLOFVIYRZUPJS-QGZVFWFLSA-N 2 1 346.479 1.850 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)N3CC[NH+](C4CC4)CC3)cn2)CC1 ZINC000637669803 452011742 /nfs/dbraw/zinc/01/17/42/452011742.db2.gz QUPHDHDJXZZHMI-UHFFFAOYSA-N 2 1 332.452 1.462 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1=O ZINC000639683245 452020944 /nfs/dbraw/zinc/02/09/44/452020944.db2.gz UCVABOYGABLCDJ-UHFFFAOYSA-N 2 1 345.447 1.314 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)COC3(C)C[NH2+]C3)cc2)C1 ZINC000649345838 452028325 /nfs/dbraw/zinc/02/83/25/452028325.db2.gz PEILSTBJEYKELR-HNNXBMFYSA-N 2 1 347.459 1.724 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)CCC(C)(C)[NH3+])c2cccs2)CC1 ZINC000649348898 452032278 /nfs/dbraw/zinc/03/22/78/452032278.db2.gz DOGQYGGESPXBDH-AWEZNQCLSA-N 2 1 338.521 1.670 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C2)cc1 ZINC000637721333 452045785 /nfs/dbraw/zinc/04/57/85/452045785.db2.gz ZRRCTQMPQVPZAW-HKUYNNGSSA-N 2 1 348.491 1.181 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)CC1 ZINC000639757377 452096809 /nfs/dbraw/zinc/09/68/09/452096809.db2.gz KFNREVMCPLQKIX-UHFFFAOYSA-N 2 1 331.416 1.772 20 0 EDADMP CN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000637838313 452109575 /nfs/dbraw/zinc/10/95/75/452109575.db2.gz VHJVPGBHEWCYLM-KRWDZBQOSA-N 3 1 330.476 1.190 20 0 EDADMP COc1ccc(-c2nnc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)o2)cc1 ZINC000641656657 452174115 /nfs/dbraw/zinc/17/41/15/452174115.db2.gz KJMILCIXRBUQFB-AWEZNQCLSA-N 2 1 347.463 2.429 20 0 EDADMP COc1ccc(-c2nnc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)o2)cc1 ZINC000641656657 452174121 /nfs/dbraw/zinc/17/41/21/452174121.db2.gz KJMILCIXRBUQFB-AWEZNQCLSA-N 2 1 347.463 2.429 20 0 EDADMP Cc1[nH]c2nc[nH+]c(NCC(=O)NCC[NH+]3CCCCCC3)c2c1C ZINC000645248302 452235448 /nfs/dbraw/zinc/23/54/48/452235448.db2.gz HXMMXMIQGSPTNX-UHFFFAOYSA-N 2 1 344.463 1.979 20 0 EDADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000643472128 452238872 /nfs/dbraw/zinc/23/88/72/452238872.db2.gz UICLFQPWQCAHBM-BMGDILEWSA-N 2 1 328.460 1.801 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647497876 452239358 /nfs/dbraw/zinc/23/93/58/452239358.db2.gz YXOLDNZEFWDLME-HZPDHXFCSA-N 2 1 349.475 1.769 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647497876 452239363 /nfs/dbraw/zinc/23/93/63/452239363.db2.gz YXOLDNZEFWDLME-HZPDHXFCSA-N 2 1 349.475 1.769 20 0 EDADMP O=C(C[NH+]1CCC2(CC2(F)F)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000649776121 452245105 /nfs/dbraw/zinc/24/51/05/452245105.db2.gz DPTQZFSIBCSBHU-UHFFFAOYSA-N 2 1 327.419 1.851 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNCc2ccnn2-c2cc[nH+]cc2)CCCO1 ZINC000657449277 452253615 /nfs/dbraw/zinc/25/36/15/452253615.db2.gz SPDJCAJLUJFNDC-MRXNPFEDSA-N 2 1 329.448 1.858 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)[C@H](C)C1 ZINC000641788915 452267038 /nfs/dbraw/zinc/26/70/38/452267038.db2.gz WEZKADDFADNESR-QRVBRYPASA-N 3 1 338.540 1.103 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659431732 452277775 /nfs/dbraw/zinc/27/77/75/452277775.db2.gz XHWXAZLZSIGZFM-QLFBSQMISA-N 2 1 328.501 1.547 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659431732 452277780 /nfs/dbraw/zinc/27/77/80/452277780.db2.gz XHWXAZLZSIGZFM-QLFBSQMISA-N 2 1 328.501 1.547 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1[NH3+] ZINC000641801840 452278271 /nfs/dbraw/zinc/27/82/71/452278271.db2.gz FQEQIHAKHGMLSM-ZWKOTPCHSA-N 3 1 344.503 1.614 20 0 EDADMP C[C@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487514 452286421 /nfs/dbraw/zinc/28/64/21/452286421.db2.gz GQXSGTQUHGYOAH-VWPFQQQWSA-N 2 1 337.439 1.482 20 0 EDADMP C[C@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487514 452286431 /nfs/dbraw/zinc/28/64/31/452286431.db2.gz GQXSGTQUHGYOAH-VWPFQQQWSA-N 2 1 337.439 1.482 20 0 EDADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000659440738 452289812 /nfs/dbraw/zinc/28/98/12/452289812.db2.gz KSAYQJJMQHHOAD-SZMVWBNQSA-N 2 1 346.475 1.534 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000661505294 452308146 /nfs/dbraw/zinc/30/81/46/452308146.db2.gz KXLAESLEKMBWPQ-HNNXBMFYSA-N 2 1 338.496 1.365 20 0 EDADMP CC1([NH+]2CCCC2)CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000639982996 452316248 /nfs/dbraw/zinc/31/62/48/452316248.db2.gz ZRJQUZWGCDMGNI-INIZCTEOSA-N 2 1 326.481 1.493 20 0 EDADMP COC[C@H]1CCCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665760718 452331382 /nfs/dbraw/zinc/33/13/82/452331382.db2.gz NXAPUSLGDHECRT-IRXDYDNUSA-N 2 1 342.528 1.717 20 0 EDADMP COC[C@H]1CCCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665760718 452331395 /nfs/dbraw/zinc/33/13/95/452331395.db2.gz NXAPUSLGDHECRT-IRXDYDNUSA-N 2 1 342.528 1.717 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000638054099 452335125 /nfs/dbraw/zinc/33/51/25/452335125.db2.gz DXBIAVHUZDWWHA-GOSISDBHSA-N 2 1 330.476 1.189 20 0 EDADMP COCC1=CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665761454 452336611 /nfs/dbraw/zinc/33/66/11/452336611.db2.gz DVTARGYGEPDJJH-HNNXBMFYSA-N 2 1 326.485 1.247 20 0 EDADMP COCC1=CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665761454 452336614 /nfs/dbraw/zinc/33/66/14/452336614.db2.gz DVTARGYGEPDJJH-HNNXBMFYSA-N 2 1 326.485 1.247 20 0 EDADMP C[C@@H](O)[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665760887 452337025 /nfs/dbraw/zinc/33/70/25/452337025.db2.gz REVXUMYSAUTWKP-XHSDSOJGSA-N 2 1 328.501 1.061 20 0 EDADMP C[C@@H](O)[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665760887 452337032 /nfs/dbraw/zinc/33/70/32/452337032.db2.gz REVXUMYSAUTWKP-XHSDSOJGSA-N 2 1 328.501 1.061 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000665760928 452337377 /nfs/dbraw/zinc/33/73/77/452337377.db2.gz SMBWVVJLKQDPRE-GVDBMIGSSA-N 2 1 340.512 1.326 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000665760928 452337385 /nfs/dbraw/zinc/33/73/85/452337385.db2.gz SMBWVVJLKQDPRE-GVDBMIGSSA-N 2 1 340.512 1.326 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)ccc1Cl ZINC000663610747 452339561 /nfs/dbraw/zinc/33/95/61/452339561.db2.gz KVWNMYHIOWQHJZ-INIZCTEOSA-N 2 1 338.839 1.208 20 0 EDADMP Cc1noc([C@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000665763780 452348600 /nfs/dbraw/zinc/34/86/00/452348600.db2.gz LLTQYVXYDIMAPK-STQMWFEESA-N 2 1 340.472 1.352 20 0 EDADMP Cc1noc([C@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000665763780 452348615 /nfs/dbraw/zinc/34/86/15/452348615.db2.gz LLTQYVXYDIMAPK-STQMWFEESA-N 2 1 340.472 1.352 20 0 EDADMP CCC[NH+]1CCN(C(=O)C(=O)Nc2ccn3cc(C)nc3c2)CC1 ZINC000657579981 452349261 /nfs/dbraw/zinc/34/92/61/452349261.db2.gz RMSSIIJWJZPHKC-UHFFFAOYSA-N 2 1 329.404 1.135 20 0 EDADMP C[NH+]1CCC2(CC1)CN(c1cc[nH+]c(N3CCCCC3)n1)CCO2 ZINC000645385023 452359754 /nfs/dbraw/zinc/35/97/54/452359754.db2.gz PQPOUJLGKGBNDZ-UHFFFAOYSA-N 2 1 331.464 1.768 20 0 EDADMP CC[NH2+]CCCNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000659505422 452371370 /nfs/dbraw/zinc/37/13/70/452371370.db2.gz MZKQDFIKKHNASM-QGZVFWFLSA-N 2 1 334.464 1.052 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000638069829 452372379 /nfs/dbraw/zinc/37/23/79/452372379.db2.gz MZWITOJPVGYLJD-XYJFISCASA-N 2 1 333.476 1.910 20 0 EDADMP [NH3+]C1CCC(NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000659520210 452382871 /nfs/dbraw/zinc/38/28/71/452382871.db2.gz XHRAXMUVSOMODT-QDIHITRGSA-N 2 1 336.480 1.199 20 0 EDADMP COc1cccc([C@@H]([NH3+])C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638075094 452386545 /nfs/dbraw/zinc/38/65/45/452386545.db2.gz BVZWSEHVURPQOD-RVKKMQEKSA-N 2 1 349.475 1.701 20 0 EDADMP CC[N@@H+](CCCNC(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000652224040 452417507 /nfs/dbraw/zinc/41/75/07/452417507.db2.gz RTUNZCNGWQNEOG-KRWDZBQOSA-N 2 1 340.512 1.709 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCC2([NH3+])CCCC2)C[C@@H](C)O1 ZINC000659572551 452428401 /nfs/dbraw/zinc/42/84/01/452428401.db2.gz XLRZNOJFWCWFNU-BZUAXINKSA-N 2 1 338.496 1.541 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654382488 452434629 /nfs/dbraw/zinc/43/46/29/452434629.db2.gz XHLZDAXMFDFHJA-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654382488 452434635 /nfs/dbraw/zinc/43/46/35/452434635.db2.gz XHLZDAXMFDFHJA-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654382488 452434640 /nfs/dbraw/zinc/43/46/40/452434640.db2.gz XHLZDAXMFDFHJA-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000645494553 452463262 /nfs/dbraw/zinc/46/32/62/452463262.db2.gz SVVNZRNHRSSZPA-DOTOQJQBSA-N 2 1 330.476 1.311 20 0 EDADMP CN(CC[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659610652 452468109 /nfs/dbraw/zinc/46/81/09/452468109.db2.gz GRXIJBSZSKKJSU-KRWDZBQOSA-N 2 1 330.476 1.889 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000654429761 452485844 /nfs/dbraw/zinc/48/58/44/452485844.db2.gz XMHDUBYKYYFJGD-ZQDZILKHSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000654429761 452485855 /nfs/dbraw/zinc/48/58/55/452485855.db2.gz XMHDUBYKYYFJGD-ZQDZILKHSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000654429761 452485867 /nfs/dbraw/zinc/48/58/67/452485867.db2.gz XMHDUBYKYYFJGD-ZQDZILKHSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000654429761 452485877 /nfs/dbraw/zinc/48/58/77/452485877.db2.gz XMHDUBYKYYFJGD-ZQDZILKHSA-N 2 1 326.485 1.266 20 0 EDADMP NC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655686838 452510170 /nfs/dbraw/zinc/51/01/70/452510170.db2.gz QLYLLDVDDMMZEQ-KRWDZBQOSA-N 2 1 332.448 1.910 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C[NH+]1CCOCC1 ZINC000654453490 452518079 /nfs/dbraw/zinc/51/80/79/452518079.db2.gz BCUBKUKIMWZSHY-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)C[NH+]1CCOCC1 ZINC000654453490 452518083 /nfs/dbraw/zinc/51/80/83/452518083.db2.gz BCUBKUKIMWZSHY-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458105 452521536 /nfs/dbraw/zinc/52/15/36/452521536.db2.gz FBXYIHFHPCYEJM-DGADGQDISA-N 2 1 326.485 1.266 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458105 452521543 /nfs/dbraw/zinc/52/15/43/452521543.db2.gz FBXYIHFHPCYEJM-DGADGQDISA-N 2 1 326.485 1.266 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458105 452521552 /nfs/dbraw/zinc/52/15/52/452521552.db2.gz FBXYIHFHPCYEJM-DGADGQDISA-N 2 1 326.485 1.266 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458105 452521559 /nfs/dbraw/zinc/52/15/59/452521559.db2.gz FBXYIHFHPCYEJM-DGADGQDISA-N 2 1 326.485 1.266 20 0 EDADMP CC1(C)COCCN1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655709414 452525820 /nfs/dbraw/zinc/52/58/20/452525820.db2.gz ZIIPQVXCFBOHFJ-KRWDZBQOSA-N 2 1 325.497 1.330 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1nccs1 ZINC000652348740 452525873 /nfs/dbraw/zinc/52/58/73/452525873.db2.gz PKTYUPOTAZZFSI-MELADBBJSA-N 2 1 338.477 1.324 20 0 EDADMP CN(C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1nccs1 ZINC000652348740 452525885 /nfs/dbraw/zinc/52/58/85/452525885.db2.gz PKTYUPOTAZZFSI-MELADBBJSA-N 2 1 338.477 1.324 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000655729638 452542310 /nfs/dbraw/zinc/54/23/10/452542310.db2.gz MWAMJPLPVSUDQQ-KRWDZBQOSA-N 2 1 341.459 1.799 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000659677989 452549230 /nfs/dbraw/zinc/54/92/30/452549230.db2.gz VGRDLZFAPMIASW-BRWVUGGUSA-N 2 1 346.475 1.038 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482039 452550956 /nfs/dbraw/zinc/55/09/56/452550956.db2.gz VZHVSYBEPOPJDU-DGXTUMSLSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482039 452550961 /nfs/dbraw/zinc/55/09/61/452550961.db2.gz VZHVSYBEPOPJDU-DGXTUMSLSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482039 452550968 /nfs/dbraw/zinc/55/09/68/452550968.db2.gz VZHVSYBEPOPJDU-DGXTUMSLSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482039 452550977 /nfs/dbraw/zinc/55/09/77/452550977.db2.gz VZHVSYBEPOPJDU-DGXTUMSLSA-N 2 1 338.496 1.409 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000659680952 452552825 /nfs/dbraw/zinc/55/28/25/452552825.db2.gz NJJWADKJMHPGST-HUUCEWRRSA-N 2 1 340.512 1.103 20 0 EDADMP Cc1cc(N2CCC([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)n[nH]1 ZINC000655758712 452561391 /nfs/dbraw/zinc/56/13/91/452561391.db2.gz XUUVOGIPAHRBKW-SFHVURJKSA-N 2 1 347.507 1.920 20 0 EDADMP OC[C@]1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000655768355 452566949 /nfs/dbraw/zinc/56/69/49/452566949.db2.gz WWYGALZNYWUWHI-HSALFYBXSA-N 2 1 330.472 1.996 20 0 EDADMP OC[C@]1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]1c1ccccc1 ZINC000655768358 452567371 /nfs/dbraw/zinc/56/73/71/452567371.db2.gz WWYGALZNYWUWHI-XUVXKRRUSA-N 2 1 330.472 1.996 20 0 EDADMP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834885 452570756 /nfs/dbraw/zinc/57/07/56/452570756.db2.gz DFEVKKREHJVZAR-IAGOWNOFSA-N 2 1 332.492 1.398 20 0 EDADMP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834885 452570759 /nfs/dbraw/zinc/57/07/59/452570759.db2.gz DFEVKKREHJVZAR-IAGOWNOFSA-N 2 1 332.492 1.398 20 0 EDADMP Cc1cc(F)ccc1N1CCC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000647835901 452574064 /nfs/dbraw/zinc/57/40/64/452574064.db2.gz UJBNBIHYUFNELD-GOSISDBHSA-N 2 1 348.466 1.467 20 0 EDADMP Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000647835901 452574075 /nfs/dbraw/zinc/57/40/75/452574075.db2.gz UJBNBIHYUFNELD-GOSISDBHSA-N 2 1 348.466 1.467 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000661779891 452574185 /nfs/dbraw/zinc/57/41/85/452574185.db2.gz OFTIUNKUUFHPSV-SZMVWBNQSA-N 2 1 347.507 1.274 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000654529398 452609668 /nfs/dbraw/zinc/60/96/68/452609668.db2.gz IKYBSTRYYNXKEK-ZACQAIPSSA-N 2 1 337.533 1.947 20 0 EDADMP CC[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCCCO1 ZINC000655855428 452610319 /nfs/dbraw/zinc/61/03/19/452610319.db2.gz DJHKFERVPDAPRH-SJORKVTESA-N 2 1 333.480 1.666 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1)c1ccccc1 ZINC000647883399 452620339 /nfs/dbraw/zinc/62/03/39/452620339.db2.gz OIXMETIHNWPBOW-KRWDZBQOSA-N 2 1 330.476 1.034 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901956 452643301 /nfs/dbraw/zinc/64/33/01/452643301.db2.gz XUZJVSNWKUZUAK-WBVHZDCISA-N 2 1 344.459 1.578 20 0 EDADMP C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000652464114 452657233 /nfs/dbraw/zinc/65/72/33/452657233.db2.gz KTUHXFUTZWQDCD-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000652464114 452657238 /nfs/dbraw/zinc/65/72/38/452657238.db2.gz KTUHXFUTZWQDCD-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000655916736 452677291 /nfs/dbraw/zinc/67/72/91/452677291.db2.gz HKAAEWREMXLEOA-WCQYABFASA-N 2 1 332.370 1.696 20 0 EDADMP Cc1ccc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c(N2CCCC2)[nH+]1 ZINC000655922501 452687386 /nfs/dbraw/zinc/68/73/86/452687386.db2.gz QPJNGOSGCRMNJV-LBPRGKRZSA-N 2 1 345.369 1.679 20 0 EDADMP CCN1CCC([NH+]2CCC(C(=O)NCC[N@@H+](C)C3CC3)CC2)CC1 ZINC000654599481 452687850 /nfs/dbraw/zinc/68/78/50/452687850.db2.gz HJQFJGBZWOFQMP-UHFFFAOYSA-N 2 1 336.524 1.393 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[N@H+](C)C3CC3)CC2)CC1 ZINC000654599481 452687859 /nfs/dbraw/zinc/68/78/59/452687859.db2.gz HJQFJGBZWOFQMP-UHFFFAOYSA-N 3 1 336.524 1.393 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[N@@H+](C)C3CC3)CC2)CC1 ZINC000654599481 452687867 /nfs/dbraw/zinc/68/78/67/452687867.db2.gz HJQFJGBZWOFQMP-UHFFFAOYSA-N 3 1 336.524 1.393 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000655927274 452696109 /nfs/dbraw/zinc/69/61/09/452696109.db2.gz HAMPLORDNZCHDG-KWCYVHTRSA-N 2 1 344.381 1.838 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000661955227 452718049 /nfs/dbraw/zinc/71/80/49/452718049.db2.gz CUNDTRQXTGWNAU-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000661955227 452718059 /nfs/dbraw/zinc/71/80/59/452718059.db2.gz CUNDTRQXTGWNAU-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000661955227 452718065 /nfs/dbraw/zinc/71/80/65/452718065.db2.gz CUNDTRQXTGWNAU-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655958520 452740025 /nfs/dbraw/zinc/74/00/25/452740025.db2.gz LXQGPQFEKYYGHN-XKQJLSEDSA-N 2 1 344.459 1.778 20 0 EDADMP C[C@@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969993 452750693 /nfs/dbraw/zinc/75/06/93/452750693.db2.gz PHNICMXUQAOQNQ-JONQDZQNSA-N 2 1 326.485 1.316 20 0 EDADMP C[C@@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969993 452750700 /nfs/dbraw/zinc/75/07/00/452750700.db2.gz PHNICMXUQAOQNQ-JONQDZQNSA-N 2 1 326.485 1.316 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652891 452755550 /nfs/dbraw/zinc/75/55/50/452755550.db2.gz UPRSCUANGRGTRW-MTSZKFMLSA-N 2 1 340.512 1.466 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652891 452755557 /nfs/dbraw/zinc/75/55/57/452755557.db2.gz UPRSCUANGRGTRW-MTSZKFMLSA-N 2 1 340.512 1.466 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652891 452755563 /nfs/dbraw/zinc/75/55/63/452755563.db2.gz UPRSCUANGRGTRW-MTSZKFMLSA-N 2 1 340.512 1.466 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652891 452755574 /nfs/dbraw/zinc/75/55/74/452755574.db2.gz UPRSCUANGRGTRW-MTSZKFMLSA-N 2 1 340.512 1.466 20 0 EDADMP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658146937 452755656 /nfs/dbraw/zinc/75/56/56/452755656.db2.gz WOMIFPUHFLZNBQ-LPHOPBHVSA-N 2 1 347.503 1.990 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)CC1 ZINC000662014252 452766031 /nfs/dbraw/zinc/76/60/31/452766031.db2.gz YEVZEYQKMPCPDA-KRWDZBQOSA-N 2 1 339.528 1.090 20 0 EDADMP CCS(=O)(=O)C[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658167846 452766522 /nfs/dbraw/zinc/76/65/22/452766522.db2.gz UNOWUUCVEDNWSF-HNNXBMFYSA-N 2 1 339.505 1.706 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)CC1 ZINC000662016009 452770819 /nfs/dbraw/zinc/77/08/19/452770819.db2.gz DJXXYRFPGBEZCF-IBGZPJMESA-N 2 1 344.503 1.798 20 0 EDADMP C[N@@H+](CCNC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000664094050 452785975 /nfs/dbraw/zinc/78/59/75/452785975.db2.gz JYLHPFOOJSEDDX-GOSISDBHSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+](CCNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000664094050 452785982 /nfs/dbraw/zinc/78/59/82/452785982.db2.gz JYLHPFOOJSEDDX-GOSISDBHSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+](CCNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000664094050 452785988 /nfs/dbraw/zinc/78/59/88/452785988.db2.gz JYLHPFOOJSEDDX-GOSISDBHSA-N 2 1 346.475 1.147 20 0 EDADMP O=C(CCOC1C[NH2+]C1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000645787012 452788360 /nfs/dbraw/zinc/78/83/60/452788360.db2.gz RRXRPULXSKWHRQ-KRWDZBQOSA-N 2 1 331.460 1.393 20 0 EDADMP Cc1cccc(NC(=O)[C@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)n1 ZINC000660033098 452944067 /nfs/dbraw/zinc/94/40/67/452944067.db2.gz FKBMYLONFBTXAS-IRXDYDNUSA-N 2 1 348.491 1.742 20 0 EDADMP Cc1cccc(NC(=O)[C@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)n1 ZINC000660033098 452944071 /nfs/dbraw/zinc/94/40/71/452944071.db2.gz FKBMYLONFBTXAS-IRXDYDNUSA-N 2 1 348.491 1.742 20 0 EDADMP Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)n1 ZINC000660033098 452944073 /nfs/dbraw/zinc/94/40/73/452944073.db2.gz FKBMYLONFBTXAS-IRXDYDNUSA-N 2 1 348.491 1.742 20 0 EDADMP Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)n1 ZINC000660033098 452944078 /nfs/dbraw/zinc/94/40/78/452944078.db2.gz FKBMYLONFBTXAS-IRXDYDNUSA-N 2 1 348.491 1.742 20 0 EDADMP O=C(C1C[NH+](C2CCCCC2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000654846251 452970441 /nfs/dbraw/zinc/97/04/41/452970441.db2.gz HXRUUVBZAMGFNF-SFHVURJKSA-N 2 1 335.492 1.574 20 0 EDADMP CO[C@@H](C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662245288 452972131 /nfs/dbraw/zinc/97/21/31/452972131.db2.gz SNJDWBYWMBXDHU-MSOLQXFVSA-N 2 1 331.460 1.518 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1)[C@H]1CCC[NH2+]1 ZINC000662265573 452997440 /nfs/dbraw/zinc/99/74/40/452997440.db2.gz RHBVUGHYSJZOIE-XJKSGUPXSA-N 2 1 332.448 1.632 20 0 EDADMP OCC1([NH2+]Cc2cccc(OCc3ccccn3)c2)CC[NH2+]CC1 ZINC000662282952 453007093 /nfs/dbraw/zinc/00/70/93/453007093.db2.gz FKSDHIYPZQYHNX-UHFFFAOYSA-N 2 1 327.428 1.865 20 0 EDADMP O=C(CC[NH2+]C1(CO)CC[NH2+]CC1)Nc1cccc(C(F)(F)F)c1 ZINC000662287230 453012027 /nfs/dbraw/zinc/01/20/27/453012027.db2.gz VRYYLAMZUYTQNF-UHFFFAOYSA-N 2 1 345.365 1.738 20 0 EDADMP CN1CCC[C@@H]([NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C1=O ZINC000662328088 453045930 /nfs/dbraw/zinc/04/59/30/453045930.db2.gz YISZHPWJZMUJJI-GOSISDBHSA-N 2 1 345.491 1.677 20 0 EDADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000662336532 453054039 /nfs/dbraw/zinc/05/40/39/453054039.db2.gz DUXILMJNFWOIGI-OAHLLOKOSA-N 2 1 326.448 1.594 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000658524795 453078429 /nfs/dbraw/zinc/07/84/29/453078429.db2.gz UAKYJQRSZKVCCK-KGLIPLIRSA-N 2 1 347.463 1.452 20 0 EDADMP CC(C)(C)N1CC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000658524795 453078435 /nfs/dbraw/zinc/07/84/35/453078435.db2.gz UAKYJQRSZKVCCK-KGLIPLIRSA-N 2 1 347.463 1.452 20 0 EDADMP COCC1CCC([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000648452260 453096058 /nfs/dbraw/zinc/09/60/58/453096058.db2.gz RAQWJSROKUSBQD-DAWZGUTISA-N 2 1 325.497 1.188 20 0 EDADMP [NH3+][C@@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1ccc(F)cc1F ZINC000662398341 453108188 /nfs/dbraw/zinc/10/81/88/453108188.db2.gz UQJYEWWOPYIZFJ-MRXNPFEDSA-N 2 1 334.370 1.656 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662412051 453122443 /nfs/dbraw/zinc/12/24/43/453122443.db2.gz HNPLWZJFHPCUMH-QMMMGPOBSA-N 2 1 344.278 1.843 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666787342 453146636 /nfs/dbraw/zinc/14/66/36/453146636.db2.gz JBZFNDGRRWEIAC-MRXNPFEDSA-N 2 1 332.448 1.465 20 0 EDADMP O=C(COc1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1)N1CCCC1 ZINC000666856524 453193046 /nfs/dbraw/zinc/19/30/46/453193046.db2.gz NLWOZBCEZNELBD-QGZVFWFLSA-N 2 1 331.460 1.920 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000662492633 453209491 /nfs/dbraw/zinc/20/94/91/453209491.db2.gz NETRBPAYSZQBAS-KRWDZBQOSA-N 2 1 346.475 1.330 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000666892479 453219967 /nfs/dbraw/zinc/21/99/67/453219967.db2.gz PKRFPHKGTIGKIW-HOTGVXAUSA-N 2 1 326.444 1.804 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCO[C@@H](C)C1 ZINC000664639215 453276066 /nfs/dbraw/zinc/27/60/66/453276066.db2.gz DLOKALLFTOSWJE-YESZJQIVSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCO[C@@H](C)C1 ZINC000664639215 453276074 /nfs/dbraw/zinc/27/60/74/453276074.db2.gz DLOKALLFTOSWJE-YESZJQIVSA-N 2 1 342.528 1.763 20 0 EDADMP CC(C)(CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[N@H+]1CCc2ccccc2C1 ZINC000653109749 453295413 /nfs/dbraw/zinc/29/54/13/453295413.db2.gz LOAGNTQVMHVFSZ-PXNSSMCTSA-N 2 1 343.471 1.176 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000653124658 453317943 /nfs/dbraw/zinc/31/79/43/453317943.db2.gz CVBIWWMKSBAGMI-RTBURBONSA-N 2 1 342.487 1.903 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000662638241 453353812 /nfs/dbraw/zinc/35/38/12/453353812.db2.gz OWMVZWPQFUUCNY-UHFFFAOYSA-N 2 1 326.391 1.394 20 0 EDADMP C[C@@H](CNC(=O)CCN(C)c1cc[nH+]cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244131 453365561 /nfs/dbraw/zinc/36/55/61/453365561.db2.gz NNSBIWAIXNEOEZ-HRCADAONSA-N 2 1 334.464 1.522 20 0 EDADMP C[C@@H](CNC(=O)CCN(C)c1cc[nH+]cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244131 453365564 /nfs/dbraw/zinc/36/55/64/453365564.db2.gz NNSBIWAIXNEOEZ-HRCADAONSA-N 2 1 334.464 1.522 20 0 EDADMP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000662666425 453380127 /nfs/dbraw/zinc/38/01/27/453380127.db2.gz SCUGJLFCHROHJN-CQSZACIVSA-N 2 1 328.416 1.873 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c1 ZINC000646444116 453389205 /nfs/dbraw/zinc/38/92/05/453389205.db2.gz KJQIEDRJFDCIFX-ZWKOTPCHSA-N 2 1 331.460 1.683 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCOC1C[NH2+]C1 ZINC000653201928 453393716 /nfs/dbraw/zinc/39/37/16/453393716.db2.gz BLLFPTDQNRBQBZ-GVDBMIGSSA-N 2 1 345.487 1.875 20 0 EDADMP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294314 453409701 /nfs/dbraw/zinc/40/97/01/453409701.db2.gz SLBQFRMIPCRCBU-RBUKOAKNSA-N 2 1 343.471 1.564 20 0 EDADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000662716557 453439989 /nfs/dbraw/zinc/43/99/89/453439989.db2.gz DJZFCGOLJIIFME-UONOGXRCSA-N 2 1 335.473 1.065 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000662737811 453463181 /nfs/dbraw/zinc/46/31/81/453463181.db2.gz CSBBKVDNYUEKCG-BFYDXBDKSA-N 2 1 344.459 1.529 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660702128 453526897 /nfs/dbraw/zinc/52/68/97/453526897.db2.gz GFQJJDQXKWPDKS-DLBZAZTESA-N 2 1 336.480 1.023 20 0 EDADMP COCC(COC)[NH+]1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000660794914 453576982 /nfs/dbraw/zinc/57/69/82/453576982.db2.gz DDOVKGIJMORVNZ-IRXDYDNUSA-N 2 1 327.513 1.243 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)[C@@H]2C1 ZINC000659038293 453593045 /nfs/dbraw/zinc/59/30/45/453593045.db2.gz OHRXRROWDKBQOZ-OLMNPRSZSA-N 2 1 344.459 1.905 20 0 EDADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900937 453596235 /nfs/dbraw/zinc/59/62/35/453596235.db2.gz QFZUYFSDXXVTKA-SJORKVTESA-N 2 1 338.540 1.638 20 0 EDADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900937 453596238 /nfs/dbraw/zinc/59/62/38/453596238.db2.gz QFZUYFSDXXVTKA-SJORKVTESA-N 2 1 338.540 1.638 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)C[NH+]1CCOCC1 ZINC000660850348 453607236 /nfs/dbraw/zinc/60/72/36/453607236.db2.gz UOZSSHLSXWIYHW-HUUCEWRRSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)C[NH+]1CCOCC1 ZINC000660850348 453607238 /nfs/dbraw/zinc/60/72/38/453607238.db2.gz UOZSSHLSXWIYHW-HUUCEWRRSA-N 2 1 326.485 1.127 20 0 EDADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000665234565 453619011 /nfs/dbraw/zinc/61/90/11/453619011.db2.gz GCLJNSQIZGCJCC-JHJVBQTASA-N 2 1 330.354 1.742 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000660863647 453620527 /nfs/dbraw/zinc/62/05/27/453620527.db2.gz YUIANZPOZXONOV-XUVXKRRUSA-N 2 1 331.504 1.894 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000660863647 453620530 /nfs/dbraw/zinc/62/05/30/453620530.db2.gz YUIANZPOZXONOV-XUVXKRRUSA-N 2 1 331.504 1.894 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000660863647 453620532 /nfs/dbraw/zinc/62/05/32/453620532.db2.gz YUIANZPOZXONOV-XUVXKRRUSA-N 2 1 331.504 1.894 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH2+]CC)c2)C1 ZINC000659104259 453636810 /nfs/dbraw/zinc/63/68/10/453636810.db2.gz ZFFIJOKIRUJBBR-MRXNPFEDSA-N 2 1 332.448 1.335 20 0 EDADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000665292341 453638954 /nfs/dbraw/zinc/63/89/54/453638954.db2.gz YYNNBXDPQBQEIA-CJNGLKHVSA-N 2 1 328.416 1.898 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000662999980 453642545 /nfs/dbraw/zinc/64/25/45/453642545.db2.gz DGMBTHAHHOXCQB-HNNXBMFYSA-N 2 1 346.479 1.054 20 0 EDADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005661 453644297 /nfs/dbraw/zinc/64/42/97/453644297.db2.gz XFVJBZZXNPEJLX-YZLZLFLDSA-N 2 1 349.519 1.757 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000665356781 453664211 /nfs/dbraw/zinc/66/42/11/453664211.db2.gz XTPUOLZNVAOILJ-LSDHHAIUSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000665356781 453664215 /nfs/dbraw/zinc/66/42/15/453664215.db2.gz XTPUOLZNVAOILJ-LSDHHAIUSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000665356781 453664218 /nfs/dbraw/zinc/66/42/18/453664218.db2.gz XTPUOLZNVAOILJ-LSDHHAIUSA-N 2 1 326.485 1.005 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CC3(CCC3)C2)[C@@H](C)C1 ZINC000659285312 453700723 /nfs/dbraw/zinc/70/07/23/453700723.db2.gz LWODHGVKNONGPE-JKSUJKDBSA-N 2 1 337.508 1.901 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000659288825 453704207 /nfs/dbraw/zinc/70/42/07/453704207.db2.gz SQRXITZVLQRSIK-BPQIPLTHSA-N 2 1 333.476 1.766 20 0 EDADMP CN(CC1C[NH+](C)C1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000661100808 453715045 /nfs/dbraw/zinc/71/50/45/453715045.db2.gz WVGMJNSHSZHZML-QGZVFWFLSA-N 2 1 330.476 1.712 20 0 EDADMP [NH3+][C@H](CCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)CC1CCCCC1 ZINC000659359040 453727880 /nfs/dbraw/zinc/72/78/80/453727880.db2.gz VXTWHLANSYWFBU-QZTJIDSGSA-N 2 1 337.508 1.997 20 0 EDADMP CC(C)[NH2+]CC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659374401 453732443 /nfs/dbraw/zinc/73/24/43/453732443.db2.gz KMERDPXSWBXSGS-UHFFFAOYSA-N 2 1 330.476 1.455 20 0 EDADMP COCc1csc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000657359137 453773717 /nfs/dbraw/zinc/77/37/17/453773717.db2.gz QQNYHKFGHRXPIB-UHFFFAOYSA-N 2 1 339.505 1.927 20 0 EDADMP CN(C(=O)CC[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000663358991 453777819 /nfs/dbraw/zinc/77/78/19/453777819.db2.gz BQPZEYIYYAFQPV-INIZCTEOSA-N 2 1 346.475 1.217 20 0 EDADMP CCN(C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CC[N@@H+](C)C1 ZINC000663479229 453805016 /nfs/dbraw/zinc/80/50/16/453805016.db2.gz DPDQHPPQEDDMJU-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CCN(C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000663479229 453805017 /nfs/dbraw/zinc/80/50/17/453805017.db2.gz DPDQHPPQEDDMJU-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CCN(C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000663479229 453805019 /nfs/dbraw/zinc/80/50/19/453805019.db2.gz DPDQHPPQEDDMJU-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3nc4c(s3)C[NH2+]CC4)CC2)C1 ZINC000663495808 453810493 /nfs/dbraw/zinc/81/04/93/453810493.db2.gz BDAGEKHLTVUERU-HIFRSBDPSA-N 3 1 336.505 1.507 20 0 EDADMP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000676304734 486728615 /nfs/dbraw/zinc/72/86/15/486728615.db2.gz DVRZTANVKOIBAX-WBVHZDCISA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000676304734 486728619 /nfs/dbraw/zinc/72/86/19/486728619.db2.gz DVRZTANVKOIBAX-WBVHZDCISA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000676304734 486728624 /nfs/dbraw/zinc/72/86/24/486728624.db2.gz DVRZTANVKOIBAX-WBVHZDCISA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000676304734 486728629 /nfs/dbraw/zinc/72/86/29/486728629.db2.gz DVRZTANVKOIBAX-WBVHZDCISA-N 2 1 340.512 1.467 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c2C1 ZINC000415653126 486765420 /nfs/dbraw/zinc/76/54/20/486765420.db2.gz RQWIEVFINAUXTK-CABCVRRESA-N 2 1 344.459 1.737 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c2C1 ZINC000415653126 486765424 /nfs/dbraw/zinc/76/54/24/486765424.db2.gz RQWIEVFINAUXTK-CABCVRRESA-N 2 1 344.459 1.737 20 0 EDADMP Cc1cccc2nc(CNC(=O)N3CC[N@@H+](CCO)C(C)(C)C3)cn21 ZINC000672851862 486819629 /nfs/dbraw/zinc/81/96/29/486819629.db2.gz ZAABMHPBUUAGBH-UHFFFAOYSA-N 2 1 345.447 1.241 20 0 EDADMP C[NH2+]CCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000417996500 486820815 /nfs/dbraw/zinc/82/08/15/486820815.db2.gz SLRLTJOWABLIGL-ROUUACIJSA-N 2 1 346.475 1.834 20 0 EDADMP C[NH2+]CCN(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418079045 486824528 /nfs/dbraw/zinc/82/45/28/486824528.db2.gz XLVBFBRPXRMEDG-KRWDZBQOSA-N 2 1 334.464 1.138 20 0 EDADMP O=C1C[C@@]2(CC[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)CN1 ZINC000684026723 486916596 /nfs/dbraw/zinc/91/65/96/486916596.db2.gz HLVAQAUVEWSNLF-FQEVSTJZSA-N 2 1 343.471 1.873 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000320736705 486957487 /nfs/dbraw/zinc/95/74/87/486957487.db2.gz OPLJYLIUYKTEID-UHFFFAOYSA-N 2 1 339.867 1.838 20 0 EDADMP CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000677194109 487004689 /nfs/dbraw/zinc/00/46/89/487004689.db2.gz QJPJMDSOJXYUSM-SFHVURJKSA-N 2 1 344.503 1.751 20 0 EDADMP C[N@@H+]1CCN(C(=O)[C@H]2CCc3nccn3C2)C[C@@H]1Cc1ccccc1 ZINC000671927554 487156625 /nfs/dbraw/zinc/15/66/25/487156625.db2.gz DOJIBSKNHNZAFR-ROUUACIJSA-N 2 1 338.455 1.831 20 0 EDADMP CS(=O)(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000684773519 487159885 /nfs/dbraw/zinc/15/98/85/487159885.db2.gz QNASTPMVWWXXTE-QGZVFWFLSA-N 2 1 343.537 1.797 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)NCC[N@@H+](C)C2CCCCC2)cn1 ZINC000682395931 487357211 /nfs/dbraw/zinc/35/72/11/487357211.db2.gz IQVATAVNTNLAFZ-UHFFFAOYSA-N 2 1 336.484 1.831 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000675191993 487387428 /nfs/dbraw/zinc/38/74/28/487387428.db2.gz SLRKJHRMKKXAAJ-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NCC[NH2+]C3CC3)CC2)nc(C)[nH+]1 ZINC000669520228 485486873 /nfs/dbraw/zinc/48/68/73/485486873.db2.gz FAKAPKZYJJPMQE-UHFFFAOYSA-N 2 1 332.452 1.113 20 0 EDADMP C[C@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538208 485518674 /nfs/dbraw/zinc/51/86/74/485518674.db2.gz DPPNYPTZESCVBN-RDJZCZTQSA-N 2 1 334.464 1.266 20 0 EDADMP C[C@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538208 485518677 /nfs/dbraw/zinc/51/86/77/485518677.db2.gz DPPNYPTZESCVBN-RDJZCZTQSA-N 2 1 334.464 1.266 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000079115111 485547477 /nfs/dbraw/zinc/54/74/77/485547477.db2.gz RESSNRPJLOKHTH-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)NCC3C[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000669554123 485553467 /nfs/dbraw/zinc/55/34/67/485553467.db2.gz GBAQZVRGMWPAGH-QZTJIDSGSA-N 2 1 344.459 1.492 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000669556063 485559187 /nfs/dbraw/zinc/55/91/87/485559187.db2.gz YLYMRLIZSZUWGL-MRXNPFEDSA-N 2 1 331.464 1.884 20 0 EDADMP C[C@H]([NH3+])CNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000669347616 485995894 /nfs/dbraw/zinc/99/58/94/485995894.db2.gz WJTYJILAHLLAJW-DOTOQJQBSA-N 2 1 333.480 1.012 20 0 EDADMP C[C@H]([NH3+])CNC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000669347616 485995899 /nfs/dbraw/zinc/99/58/99/485995899.db2.gz WJTYJILAHLLAJW-DOTOQJQBSA-N 2 1 333.480 1.012 20 0 EDADMP C[C@H]([NH3+])CNC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000669347616 485995906 /nfs/dbraw/zinc/99/59/06/485995906.db2.gz WJTYJILAHLLAJW-DOTOQJQBSA-N 2 1 333.480 1.012 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000669389604 486025923 /nfs/dbraw/zinc/02/59/23/486025923.db2.gz FXISAHABNQWLJA-KBPBESRZSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000669389604 486025929 /nfs/dbraw/zinc/02/59/29/486025929.db2.gz FXISAHABNQWLJA-KBPBESRZSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669405917 486077802 /nfs/dbraw/zinc/07/78/02/486077802.db2.gz OCQBOMHVFSBBSM-FZKCQIBNSA-N 2 1 340.512 1.501 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC/C=C\C[NH3+])c2)CCO1 ZINC000669412814 486116232 /nfs/dbraw/zinc/11/62/32/486116232.db2.gz QBPTYZRDIHXWAU-MPNWYJEXSA-N 2 1 332.448 1.221 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC/C=C\C[NH3+])c2)CCO1 ZINC000669412814 486116238 /nfs/dbraw/zinc/11/62/38/486116238.db2.gz QBPTYZRDIHXWAU-MPNWYJEXSA-N 2 1 332.448 1.221 20 0 EDADMP CC[NH+]1CCC(N2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000570343125 486191884 /nfs/dbraw/zinc/19/18/84/486191884.db2.gz HRUVQMMRSLRTNK-QGZVFWFLSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@@H](C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+](C)C ZINC000672213401 486613612 /nfs/dbraw/zinc/61/36/12/486613612.db2.gz JQXJUJAERQKFEI-HKUYNNGSSA-N 2 1 344.503 1.355 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)CCOC)CC2)CC1 ZINC000088511114 491195422 /nfs/dbraw/zinc/19/54/22/491195422.db2.gz BHKFWCNCFILCMV-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C[C@H]3CNc4ccnn4C3)cc2)C1 ZINC000668490357 491179725 /nfs/dbraw/zinc/17/97/25/491179725.db2.gz QHEFGLFNBLMSMS-ROUUACIJSA-N 2 1 341.459 1.281 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000270903687 535000762 /nfs/dbraw/zinc/00/07/62/535000762.db2.gz ROBPLHCEUZJDFR-MSOLQXFVSA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270903687 535000768 /nfs/dbraw/zinc/00/07/68/535000768.db2.gz ROBPLHCEUZJDFR-MSOLQXFVSA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270903687 535000775 /nfs/dbraw/zinc/00/07/75/535000775.db2.gz ROBPLHCEUZJDFR-MSOLQXFVSA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000352664366 535070120 /nfs/dbraw/zinc/07/01/20/535070120.db2.gz LLJUOPKOTPFRAX-UHFFFAOYSA-N 2 1 328.526 1.455 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)C1 ZINC000248543314 535117985 /nfs/dbraw/zinc/11/79/85/535117985.db2.gz CZEXFJJYHZPLSJ-WNRNVDISSA-N 2 1 339.524 1.874 20 0 EDADMP CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261877376 535124834 /nfs/dbraw/zinc/12/48/34/535124834.db2.gz DXNUBUDTMSFJPF-XDNAFOTISA-N 2 1 325.497 1.090 20 0 EDADMP CCCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH2+]CC1 ZINC000236826402 535237125 /nfs/dbraw/zinc/23/71/25/535237125.db2.gz QKAAKIIWEVSWCJ-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP CCCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH2+]CC1 ZINC000236826402 535237132 /nfs/dbraw/zinc/23/71/32/535237132.db2.gz QKAAKIIWEVSWCJ-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCCNc2ccc(C)c[nH+]2)C1(C)C ZINC000262793278 535439832 /nfs/dbraw/zinc/43/98/32/535439832.db2.gz OWRJTBGHMFIXNB-RDTXWAMCSA-N 2 1 334.464 1.841 20 0 EDADMP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000236882918 535553677 /nfs/dbraw/zinc/55/36/77/535553677.db2.gz HAGRBKYITWJTQD-KRWDZBQOSA-N 2 1 335.448 1.012 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](O)c1ccccc1 ZINC000270738936 535595586 /nfs/dbraw/zinc/59/55/86/535595586.db2.gz AWJBMANPMTYEPX-ROUUACIJSA-N 2 1 333.476 1.595 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)C[C@H]1CC ZINC000345746696 535597319 /nfs/dbraw/zinc/59/73/19/535597319.db2.gz MAGZXMXZLPVZAR-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C[C@H]1CC ZINC000345746696 535597325 /nfs/dbraw/zinc/59/73/25/535597325.db2.gz MAGZXMXZLPVZAR-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@H]1CC ZINC000345746696 535597329 /nfs/dbraw/zinc/59/73/29/535597329.db2.gz MAGZXMXZLPVZAR-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246420508 535890231 /nfs/dbraw/zinc/89/02/31/535890231.db2.gz NDWWKJQZEAQCSF-OALUTQOASA-N 2 1 344.503 1.694 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246420508 535890238 /nfs/dbraw/zinc/89/02/38/535890238.db2.gz NDWWKJQZEAQCSF-OALUTQOASA-N 3 1 344.503 1.694 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246420508 535890239 /nfs/dbraw/zinc/89/02/39/535890239.db2.gz NDWWKJQZEAQCSF-OALUTQOASA-N 3 1 344.503 1.694 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)cn1 ZINC000333756024 536055065 /nfs/dbraw/zinc/05/50/65/536055065.db2.gz ZTKRBVAOKOIUOB-SJORKVTESA-N 2 1 348.495 1.390 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)cn1 ZINC000333756024 536055069 /nfs/dbraw/zinc/05/50/69/536055069.db2.gz ZTKRBVAOKOIUOB-SJORKVTESA-N 2 1 348.495 1.390 20 0 EDADMP C[NH+](C)Cc1cnc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000352760236 536057062 /nfs/dbraw/zinc/05/70/62/536057062.db2.gz ANSZPSZEISHFLK-CQSZACIVSA-N 2 1 338.521 1.795 20 0 EDADMP C[NH+](C)Cc1cnc(CNc2cc(C(N)=O)ccc2C[NH+](C)C)s1 ZINC000352756882 536059479 /nfs/dbraw/zinc/05/94/79/536059479.db2.gz RTJUGTNCOINALC-UHFFFAOYSA-N 2 1 347.488 1.977 20 0 EDADMP CC[C@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236988326 536154689 /nfs/dbraw/zinc/15/46/89/536154689.db2.gz TUVUNHPWOPYRQW-IRXDYDNUSA-N 2 1 333.476 1.910 20 0 EDADMP CC[C@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236988326 536154692 /nfs/dbraw/zinc/15/46/92/536154692.db2.gz TUVUNHPWOPYRQW-IRXDYDNUSA-N 2 1 333.476 1.910 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000271785782 536334032 /nfs/dbraw/zinc/33/40/32/536334032.db2.gz HPZLQVBOCROVAH-MRXNPFEDSA-N 2 1 332.448 1.978 20 0 EDADMP C[NH2+][C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cnn(C)c1 ZINC000262317622 536335288 /nfs/dbraw/zinc/33/52/88/536335288.db2.gz DRJTZAGJCGNYFE-GOSISDBHSA-N 2 1 341.459 1.593 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)CC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000261887306 536406664 /nfs/dbraw/zinc/40/66/64/536406664.db2.gz SRKJIMLVAKPDAK-HNNXBMFYSA-N 2 1 344.459 1.402 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247310197 536784840 /nfs/dbraw/zinc/78/48/40/536784840.db2.gz VIQPPEGQLJFUOC-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247310197 536784843 /nfs/dbraw/zinc/78/48/43/536784843.db2.gz VIQPPEGQLJFUOC-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247310197 536784849 /nfs/dbraw/zinc/78/48/49/536784849.db2.gz VIQPPEGQLJFUOC-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000247482527 536860097 /nfs/dbraw/zinc/86/00/97/536860097.db2.gz JWBBJBNFHYRBJS-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247482527 536860102 /nfs/dbraw/zinc/86/01/02/536860102.db2.gz JWBBJBNFHYRBJS-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000247482527 536860109 /nfs/dbraw/zinc/86/01/09/536860109.db2.gz JWBBJBNFHYRBJS-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000261928985 536874617 /nfs/dbraw/zinc/87/46/17/536874617.db2.gz JFGKLXUGXHUFNG-LLVKDONJSA-N 2 1 325.434 1.534 20 0 EDADMP COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000261928985 536874620 /nfs/dbraw/zinc/87/46/20/536874620.db2.gz JFGKLXUGXHUFNG-LLVKDONJSA-N 2 1 325.434 1.534 20 0 EDADMP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000347092905 536885249 /nfs/dbraw/zinc/88/52/49/536885249.db2.gz GHLKWYXYCBGFJR-WMZOPIPTSA-N 2 1 345.487 1.943 20 0 EDADMP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741216718 579401429 /nfs/dbraw/zinc/40/14/29/579401429.db2.gz VTXKMYZQRGYORU-ROUUACIJSA-N 2 1 333.476 1.590 20 0 EDADMP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741216718 579401431 /nfs/dbraw/zinc/40/14/31/579401431.db2.gz VTXKMYZQRGYORU-ROUUACIJSA-N 2 1 333.476 1.590 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@H+]1CCCCCCCO ZINC000743848594 578282551 /nfs/dbraw/zinc/28/25/51/578282551.db2.gz ISZICBQGQVFXSO-MSOLQXFVSA-N 2 1 327.513 1.266 20 0 EDADMP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCCCCCCO ZINC000743848594 578282552 /nfs/dbraw/zinc/28/25/52/578282552.db2.gz ISZICBQGQVFXSO-MSOLQXFVSA-N 2 1 327.513 1.266 20 0 EDADMP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCCCCCO ZINC000743848594 578282554 /nfs/dbraw/zinc/28/25/54/578282554.db2.gz ISZICBQGQVFXSO-MSOLQXFVSA-N 2 1 327.513 1.266 20 0 EDADMP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCCCCCCO ZINC000743848594 578282555 /nfs/dbraw/zinc/28/25/55/578282555.db2.gz ISZICBQGQVFXSO-MSOLQXFVSA-N 2 1 327.513 1.266 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC000729495749 578577538 /nfs/dbraw/zinc/57/75/38/578577538.db2.gz IJCUYSOKUIAGDC-CVEARBPZSA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000734269065 578805836 /nfs/dbraw/zinc/80/58/36/578805836.db2.gz DKHKFVAGBNFQSG-IAGOWNOFSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC000735383164 578880645 /nfs/dbraw/zinc/88/06/45/578880645.db2.gz OZMKGNFAYSTFNO-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC000735383164 578880646 /nfs/dbraw/zinc/88/06/46/578880646.db2.gz OZMKGNFAYSTFNO-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000738089453 579158767 /nfs/dbraw/zinc/15/87/67/579158767.db2.gz JUGUEHORBKHHKS-SFHVURJKSA-N 2 1 336.480 1.717 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000738089453 579158768 /nfs/dbraw/zinc/15/87/68/579158768.db2.gz JUGUEHORBKHHKS-SFHVURJKSA-N 2 1 336.480 1.717 20 0 EDADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000738878650 579192742 /nfs/dbraw/zinc/19/27/42/579192742.db2.gz WWMKTDYLOLDQPT-CVEARBPZSA-N 2 1 329.448 1.365 20 0 EDADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000738878650 579192743 /nfs/dbraw/zinc/19/27/43/579192743.db2.gz WWMKTDYLOLDQPT-CVEARBPZSA-N 2 1 329.448 1.365 20 0 EDADMP O=C(NC1CCCCC1)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000744267446 579505658 /nfs/dbraw/zinc/50/56/58/579505658.db2.gz KSLXOHWPKRVMJZ-GOSISDBHSA-N 2 1 337.508 1.604 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000747969782 579665137 /nfs/dbraw/zinc/66/51/37/579665137.db2.gz WJTFORSUNHGTEB-BBWFWOEESA-N 2 1 325.497 1.460 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000747969782 579665139 /nfs/dbraw/zinc/66/51/39/579665139.db2.gz WJTFORSUNHGTEB-BBWFWOEESA-N 2 1 325.497 1.460 20 0 EDADMP CCCCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000748437199 579686428 /nfs/dbraw/zinc/68/64/28/579686428.db2.gz SDFQXRPMTVULFS-ROUUACIJSA-N 2 1 339.524 1.852 20 0 EDADMP CCCCCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000748437199 579686430 /nfs/dbraw/zinc/68/64/30/579686430.db2.gz SDFQXRPMTVULFS-ROUUACIJSA-N 2 1 339.524 1.852 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2nncn2-c2ccccc2)C1 ZINC000766708763 580172428 /nfs/dbraw/zinc/17/24/28/580172428.db2.gz FEXHFOXKNXKDCR-HNNXBMFYSA-N 2 1 344.419 1.375 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2nncn2-c2ccccc2)C1 ZINC000766708763 580172429 /nfs/dbraw/zinc/17/24/29/580172429.db2.gz FEXHFOXKNXKDCR-HNNXBMFYSA-N 2 1 344.419 1.375 20 0 EDADMP C[NH+]1CCC(NC(=S)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000772816433 580321219 /nfs/dbraw/zinc/32/12/19/580321219.db2.gz GOWQIBCEVVPPFI-RHSMWYFYSA-N 2 1 336.549 1.904 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N(C)C2CCCCC2)C1 ZINC000779653258 580493242 /nfs/dbraw/zinc/49/32/42/580493242.db2.gz WCRMTEJKVSRVHJ-HNNXBMFYSA-N 2 1 340.468 1.385 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N(C)C2CCCCC2)C1 ZINC000779653258 580493243 /nfs/dbraw/zinc/49/32/43/580493243.db2.gz WCRMTEJKVSRVHJ-HNNXBMFYSA-N 2 1 340.468 1.385 20 0 EDADMP CC(C)C[C@H](C)N(C)C(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779656402 580493676 /nfs/dbraw/zinc/49/36/76/580493676.db2.gz XULREZWMEQKLRG-GJZGRUSLSA-N 2 1 342.484 1.487 20 0 EDADMP CC(C)C[C@H](C)N(C)C(=O)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779656402 580493677 /nfs/dbraw/zinc/49/36/77/580493677.db2.gz XULREZWMEQKLRG-GJZGRUSLSA-N 2 1 342.484 1.487 20 0 EDADMP CC[C@H](C(=O)O[C@H](C)C(=O)N1CCN(CC)CC1)N(CC)CC ZINC000783782817 580606188 /nfs/dbraw/zinc/60/61/88/580606188.db2.gz JWTPFWDZJABNNA-HUUCEWRRSA-N 2 1 327.469 1.203 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000792554109 580823112 /nfs/dbraw/zinc/82/31/12/580823112.db2.gz VWYLGRQTTXLHON-ZDUSSCGKSA-N 2 1 330.388 1.044 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCCO1 ZINC000891857710 590659649 /nfs/dbraw/zinc/65/96/49/590659649.db2.gz DQFLCFHUSMNGQS-KGLIPLIRSA-N 2 1 348.438 1.031 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)C2)cc1 ZINC000892169002 590839975 /nfs/dbraw/zinc/83/99/75/590839975.db2.gz HUWMOFSEZYWBGR-SQNIBIBYSA-N 2 1 330.476 1.996 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232989 590877649 /nfs/dbraw/zinc/87/76/49/590877649.db2.gz SFHITEGAVKCXAX-RGGMIXCSSA-N 2 1 338.496 1.314 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232989 590877651 /nfs/dbraw/zinc/87/76/51/590877651.db2.gz SFHITEGAVKCXAX-RGGMIXCSSA-N 2 1 338.496 1.314 20 0 EDADMP COCCC1(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH2+]CC1 ZINC000892237295 590880638 /nfs/dbraw/zinc/88/06/38/590880638.db2.gz YWTNVLLNYVKYAN-JKSUJKDBSA-N 2 1 338.496 1.461 20 0 EDADMP CC1(C)CC[C@H](CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)[NH2+]C1 ZINC000892384588 591004779 /nfs/dbraw/zinc/00/47/79/591004779.db2.gz NWTHBBJHCDATJA-HZPDHXFCSA-N 2 1 331.464 1.516 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000892536077 591063644 /nfs/dbraw/zinc/06/36/44/591063644.db2.gz MNUYCNYCDDNPKA-JQHSSLGASA-N 2 1 346.475 1.327 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000892536077 591063649 /nfs/dbraw/zinc/06/36/49/591063649.db2.gz MNUYCNYCDDNPKA-JQHSSLGASA-N 2 1 346.475 1.327 20 0 EDADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCS(=O)CC3)cc2)CC1 ZINC000892597248 591087596 /nfs/dbraw/zinc/08/75/96/591087596.db2.gz QUXASAGCTCVLEZ-UHFFFAOYSA-N 2 1 349.544 1.825 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCCC(C)(C)[NH3+])[C@H](C)C1 ZINC000891567088 591129635 /nfs/dbraw/zinc/12/96/35/591129635.db2.gz VPLOCTYXDALLRZ-CABCVRRESA-N 2 1 328.501 1.550 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892758591 591162063 /nfs/dbraw/zinc/16/20/63/591162063.db2.gz KOLDIWJPTABXIL-HOTGVXAUSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H](NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)OC(C)(C)C ZINC000892763583 591167463 /nfs/dbraw/zinc/16/74/63/591167463.db2.gz VBQGVDNAUJOSKW-CQSZACIVSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C[N@H+]1C1CC1 ZINC000891659336 591172360 /nfs/dbraw/zinc/17/23/60/591172360.db2.gz DTBOQEXZGOEGAU-OIISXLGYSA-N 2 1 330.476 1.871 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000891670869 591176809 /nfs/dbraw/zinc/17/68/09/591176809.db2.gz UPRIJTFGGCQOJF-QFBILLFUSA-N 2 1 344.503 1.978 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cc(N)cc[nH+]1 ZINC000891800919 591228281 /nfs/dbraw/zinc/22/82/81/591228281.db2.gz WZWBONCSSHHFTO-KSSFIOAISA-N 2 1 339.443 1.984 20 0 EDADMP COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000895761082 591267448 /nfs/dbraw/zinc/26/74/48/591267448.db2.gz AXRUWEQBXBQZHJ-GOSISDBHSA-N 2 1 342.480 1.387 20 0 EDADMP COC[C@@]1(C(=O)OC(C)(C)C)C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000895761082 591267450 /nfs/dbraw/zinc/26/74/50/591267450.db2.gz AXRUWEQBXBQZHJ-GOSISDBHSA-N 2 1 342.480 1.387 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895850792 591287852 /nfs/dbraw/zinc/28/78/52/591287852.db2.gz KYWJSKPYFUAXAP-GVDBMIGSSA-N 2 1 336.480 1.118 20 0 EDADMP COC(=O)/C=C/c1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)o1 ZINC000894375496 591294642 /nfs/dbraw/zinc/29/46/42/591294642.db2.gz LJSCCNPUNMMGES-BQYQJAHWSA-N 2 1 335.448 1.583 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000895899118 591299424 /nfs/dbraw/zinc/29/94/24/591299424.db2.gz FWASUTUBSBTYGK-OKZBNKHCSA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000895899118 591299426 /nfs/dbraw/zinc/29/94/26/591299426.db2.gz FWASUTUBSBTYGK-OKZBNKHCSA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000895899118 591299427 /nfs/dbraw/zinc/29/94/27/591299427.db2.gz FWASUTUBSBTYGK-OKZBNKHCSA-N 2 1 328.460 1.606 20 0 EDADMP COC(=O)c1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)o1 ZINC000898584749 591422922 /nfs/dbraw/zinc/42/29/22/591422922.db2.gz JLXXLZHWTGDPCX-ZDUSSCGKSA-N 2 1 339.436 1.376 20 0 EDADMP COC(=O)c1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)o1 ZINC000898584749 591422924 /nfs/dbraw/zinc/42/29/24/591422924.db2.gz JLXXLZHWTGDPCX-ZDUSSCGKSA-N 2 1 339.436 1.376 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC000898585274 591423167 /nfs/dbraw/zinc/42/31/67/591423167.db2.gz QNRMRQDLFJGGTH-KBPBESRZSA-N 2 1 335.496 1.536 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC000898585274 591423169 /nfs/dbraw/zinc/42/31/69/591423169.db2.gz QNRMRQDLFJGGTH-KBPBESRZSA-N 2 1 335.496 1.536 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000897482811 591488350 /nfs/dbraw/zinc/48/83/50/591488350.db2.gz FTVVXLFVMIHXIT-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000897482811 591488354 /nfs/dbraw/zinc/48/83/54/591488354.db2.gz FTVVXLFVMIHXIT-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[N@H+]2CCC[C@H]2C)C1 ZINC000897482570 591488510 /nfs/dbraw/zinc/48/85/10/591488510.db2.gz BNKPNOQZVIKPEJ-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000897488274 591492698 /nfs/dbraw/zinc/49/26/98/591492698.db2.gz ZIURPQJBHQJYIG-HNNXBMFYSA-N 2 1 326.485 1.005 20 0 EDADMP C[NH+](C)Cc1cnc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)s1 ZINC000895005939 591516364 /nfs/dbraw/zinc/51/63/64/591516364.db2.gz UILYZWMSLVFLBO-CVEARBPZSA-N 2 1 344.484 1.906 20 0 EDADMP C[NH+](C)Cc1cnc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)s1 ZINC000895005939 591516366 /nfs/dbraw/zinc/51/63/66/591516366.db2.gz UILYZWMSLVFLBO-CVEARBPZSA-N 2 1 344.484 1.906 20 0 EDADMP Cc1ncoc1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000895011445 591521816 /nfs/dbraw/zinc/52/18/16/591521816.db2.gz IBNCGDAHMYOIDV-UHFFFAOYSA-N 2 1 342.443 1.970 20 0 EDADMP C[NH+]1CCC2(CCN2C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000896608670 591550893 /nfs/dbraw/zinc/55/08/93/591550893.db2.gz HZLJPDLLDWRGFE-HUUCEWRRSA-N 2 1 338.521 1.446 20 0 EDADMP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C12CCC2 ZINC000898831761 591551894 /nfs/dbraw/zinc/55/18/94/591551894.db2.gz UMQKHCJGQOSZEH-HZPDHXFCSA-N 2 1 325.416 1.870 20 0 EDADMP Cc1cccc(NCCNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)[nH+]1 ZINC000896729185 591595460 /nfs/dbraw/zinc/59/54/60/591595460.db2.gz MMSFYNLVYCDOKG-JKSUJKDBSA-N 2 1 347.463 1.043 20 0 EDADMP Cc1cccc(NCCNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)[nH+]1 ZINC000896729185 591595462 /nfs/dbraw/zinc/59/54/62/591595462.db2.gz MMSFYNLVYCDOKG-JKSUJKDBSA-N 2 1 347.463 1.043 20 0 EDADMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000897634934 591599644 /nfs/dbraw/zinc/59/96/44/591599644.db2.gz UAXUQLXMKPQRQG-GUDVDZBRSA-N 2 1 347.503 1.888 20 0 EDADMP Cn1cc([C@]2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCCO2)cn1 ZINC000898051753 591755813 /nfs/dbraw/zinc/75/58/13/591755813.db2.gz DYXSEFKVARRCKK-QZTJIDSGSA-N 2 1 334.464 1.269 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898284798 591853387 /nfs/dbraw/zinc/85/33/87/591853387.db2.gz PGFQCPFZGHONCA-CXAGYDPISA-N 2 1 337.489 1.655 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898284798 591853389 /nfs/dbraw/zinc/85/33/89/591853389.db2.gz PGFQCPFZGHONCA-CXAGYDPISA-N 2 1 337.489 1.655 20 0 EDADMP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000900045757 591881979 /nfs/dbraw/zinc/88/19/79/591881979.db2.gz XSNHFBQBAHPIEU-HXUWFJFHSA-N 2 1 345.487 1.220 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000900045757 591881982 /nfs/dbraw/zinc/88/19/82/591881982.db2.gz XSNHFBQBAHPIEU-HXUWFJFHSA-N 2 1 345.487 1.220 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000897356093 591901230 /nfs/dbraw/zinc/90/12/30/591901230.db2.gz MGSBJSVWMUUKAN-ROUUACIJSA-N 2 1 345.487 1.742 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000897356093 591901232 /nfs/dbraw/zinc/90/12/32/591901232.db2.gz MGSBJSVWMUUKAN-ROUUACIJSA-N 2 1 345.487 1.742 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000897356093 591901234 /nfs/dbraw/zinc/90/12/34/591901234.db2.gz MGSBJSVWMUUKAN-ROUUACIJSA-N 2 1 345.487 1.742 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000900116534 591905114 /nfs/dbraw/zinc/90/51/14/591905114.db2.gz QICBHPWWYKRNIS-IBGZPJMESA-N 2 1 331.460 1.008 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000900116534 591905115 /nfs/dbraw/zinc/90/51/15/591905115.db2.gz QICBHPWWYKRNIS-IBGZPJMESA-N 2 1 331.460 1.008 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000900116534 591905118 /nfs/dbraw/zinc/90/51/18/591905118.db2.gz QICBHPWWYKRNIS-IBGZPJMESA-N 2 1 331.460 1.008 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccsc1 ZINC000900136548 591913975 /nfs/dbraw/zinc/91/39/75/591913975.db2.gz NSVIUXJORQXALB-ZBFHGGJFSA-N 2 1 325.478 1.314 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000900272553 591975623 /nfs/dbraw/zinc/97/56/23/591975623.db2.gz RKEPGJJLVLSRFP-MJGOQNOKSA-N 2 1 349.450 1.361 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000900373876 592000247 /nfs/dbraw/zinc/00/02/47/592000247.db2.gz ZZBMUFCMJIYTQE-AZUAARDMSA-N 2 1 345.487 1.470 20 0 EDADMP c1cc(N2CCC([C@H]3CCC[NH2+]CC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000900381849 592002717 /nfs/dbraw/zinc/00/27/17/592002717.db2.gz KXSLOTSJYQHWEQ-INIZCTEOSA-N 2 1 345.491 1.919 20 0 EDADMP CCO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000902805557 592063202 /nfs/dbraw/zinc/06/32/02/592063202.db2.gz BKRIWZYIUZIDOU-RCCFBDPRSA-N 2 1 325.497 1.330 20 0 EDADMP CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000900665288 592085433 /nfs/dbraw/zinc/08/54/33/592085433.db2.gz PFCDHJBYRHRESR-HTWSVDAQSA-N 2 1 335.492 1.573 20 0 EDADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900685465 592094211 /nfs/dbraw/zinc/09/42/11/592094211.db2.gz TYFMULRWKIJDTJ-OKZBNKHCSA-N 2 1 335.492 1.763 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900710255 592101251 /nfs/dbraw/zinc/10/12/51/592101251.db2.gz LVKIFZXECCDUKB-NTDBWNAOSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900710255 592101252 /nfs/dbraw/zinc/10/12/52/592101252.db2.gz LVKIFZXECCDUKB-NTDBWNAOSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900710255 592101255 /nfs/dbraw/zinc/10/12/55/592101255.db2.gz LVKIFZXECCDUKB-NTDBWNAOSA-N 2 1 337.508 1.555 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000900722642 592105269 /nfs/dbraw/zinc/10/52/69/592105269.db2.gz VGFACRKCPXPWGL-YQVWRLOYSA-N 2 1 331.460 1.222 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000900722642 592105271 /nfs/dbraw/zinc/10/52/71/592105271.db2.gz VGFACRKCPXPWGL-YQVWRLOYSA-N 2 1 331.460 1.222 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000900722642 592105272 /nfs/dbraw/zinc/10/52/72/592105272.db2.gz VGFACRKCPXPWGL-YQVWRLOYSA-N 2 1 331.460 1.222 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000900722642 592105274 /nfs/dbraw/zinc/10/52/74/592105274.db2.gz VGFACRKCPXPWGL-YQVWRLOYSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000900743187 592115243 /nfs/dbraw/zinc/11/52/43/592115243.db2.gz BDVAHIACZFZQIO-FUHWJXTLSA-N 2 1 343.471 1.349 20 0 EDADMP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000900743187 592115245 /nfs/dbraw/zinc/11/52/45/592115245.db2.gz BDVAHIACZFZQIO-FUHWJXTLSA-N 2 1 343.471 1.349 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)COCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000903277814 592150139 /nfs/dbraw/zinc/15/01/39/592150139.db2.gz CHOUCTLHNIMFFG-RLLQIKCJSA-N 2 1 347.503 1.322 20 0 EDADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@]2(CO)COCCN2C)CC1 ZINC000903279085 592150767 /nfs/dbraw/zinc/15/07/67/592150767.db2.gz IGDMLDKNLJJUMN-QRQLOZEOSA-N 2 1 339.524 1.312 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)C1 ZINC000900888085 592157806 /nfs/dbraw/zinc/15/78/06/592157806.db2.gz YLOOLBGOBOPEBT-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000900898893 592164498 /nfs/dbraw/zinc/16/44/98/592164498.db2.gz NBSGVLJMESHXQE-PXNSSMCTSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000900898893 592164500 /nfs/dbraw/zinc/16/45/00/592164500.db2.gz NBSGVLJMESHXQE-PXNSSMCTSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000900898893 592164503 /nfs/dbraw/zinc/16/45/03/592164503.db2.gz NBSGVLJMESHXQE-PXNSSMCTSA-N 2 1 345.487 1.612 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903494553 592186849 /nfs/dbraw/zinc/18/68/49/592186849.db2.gz JOWNKAJFSASJQY-UKRRQHHQSA-N 2 1 335.448 1.237 20 0 EDADMP O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)NC1CCCCCC1 ZINC000903509785 592189840 /nfs/dbraw/zinc/18/98/40/592189840.db2.gz ARYHIBXQSRIDDD-KDURUIRLSA-N 2 1 348.535 1.726 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC000901024598 592202502 /nfs/dbraw/zinc/20/25/02/592202502.db2.gz YOPZMYUIJVJPSV-BFWZDYSYSA-N 2 1 337.508 1.722 20 0 EDADMP [NH3+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000906679080 592260036 /nfs/dbraw/zinc/26/00/36/592260036.db2.gz SKDQJXOXVYHNKK-JKSUJKDBSA-N 2 1 330.432 1.217 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904509382 592273779 /nfs/dbraw/zinc/27/37/79/592273779.db2.gz JEDAEKFYTXGUPP-MSOLQXFVSA-N 2 1 346.475 1.859 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000904511114 592274601 /nfs/dbraw/zinc/27/46/01/592274601.db2.gz VNCWXZXJDSBJTE-ZWKOTPCHSA-N 2 1 346.475 1.859 20 0 EDADMP Cc1nc2cc(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)ccc2n1C1CC1 ZINC000908057901 592278070 /nfs/dbraw/zinc/27/80/70/592278070.db2.gz AHRGMBZJRQBOAM-DNVCBOLYSA-N 2 1 342.443 1.751 20 0 EDADMP Cc1nc2cc(CNC(=O)[C@@]3(C)C[C@@H](O)CN3C)ccc2n1C1CC1 ZINC000908057901 592278071 /nfs/dbraw/zinc/27/80/71/592278071.db2.gz AHRGMBZJRQBOAM-DNVCBOLYSA-N 2 1 342.443 1.751 20 0 EDADMP O=C(c1ccc(F)cc1)N1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903725268 592285006 /nfs/dbraw/zinc/28/50/06/592285006.db2.gz YMYRUIYVGKIBKI-IEBWSBKVSA-N 2 1 347.434 1.352 20 0 EDADMP C[C@H](CNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)CN1CC[NH+](C)CC1 ZINC000904581752 592286830 /nfs/dbraw/zinc/28/68/30/592286830.db2.gz HBAWEHQKISPJCK-OAHLLOKOSA-N 2 1 347.507 1.885 20 0 EDADMP O=C1CCCCN1[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903730353 592287530 /nfs/dbraw/zinc/28/75/30/592287530.db2.gz VWMUFVWDNIAWTL-IRXDYDNUSA-N 2 1 335.492 1.622 20 0 EDADMP Cc1nc(N2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)sc1C ZINC000903753533 592296808 /nfs/dbraw/zinc/29/68/08/592296808.db2.gz VSUUZWNPXCEDLO-WBVHZDCISA-N 2 1 336.505 1.651 20 0 EDADMP CC(C)(C)c1ncc2c(n1)CC[N@@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903770280 592311066 /nfs/dbraw/zinc/31/10/66/592311066.db2.gz WIOOPHKRYQJOIE-BEFAXECRSA-N 2 1 330.476 1.901 20 0 EDADMP CC(C)(C)c1ncc2c(n1)CC[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903770280 592311070 /nfs/dbraw/zinc/31/10/70/592311070.db2.gz WIOOPHKRYQJOIE-BEFAXECRSA-N 2 1 330.476 1.901 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)c2C1 ZINC000906725417 592314967 /nfs/dbraw/zinc/31/49/67/592314967.db2.gz WVRRHYYNODZZHU-XOKHGSTOSA-N 2 1 342.443 1.360 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)c2C1 ZINC000906725417 592314972 /nfs/dbraw/zinc/31/49/72/592314972.db2.gz WVRRHYYNODZZHU-XOKHGSTOSA-N 2 1 342.443 1.360 20 0 EDADMP COCc1ncc2c(n1)CC[N@@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903776622 592318571 /nfs/dbraw/zinc/31/85/71/592318571.db2.gz VZIFIUPHXQXGOD-HNNXBMFYSA-N 2 1 332.448 1.140 20 0 EDADMP COCc1ncc2c(n1)CC[N@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903776622 592318575 /nfs/dbraw/zinc/31/85/75/592318575.db2.gz VZIFIUPHXQXGOD-HNNXBMFYSA-N 2 1 332.448 1.140 20 0 EDADMP CCOC(=O)[C@@]1(F)C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]1CC ZINC000903783746 592321291 /nfs/dbraw/zinc/32/12/91/592321291.db2.gz BRSFIDVDJJXZOO-XJNFMUPTSA-N 2 1 328.428 1.368 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCCc1cccc3cccnc31)C2 ZINC000903841252 592340683 /nfs/dbraw/zinc/34/06/83/592340683.db2.gz CNHDQGGCXCQYBE-QGTPRVQTSA-N 2 1 338.455 1.705 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCCc1cccc3cccnc31)C2 ZINC000903841252 592340687 /nfs/dbraw/zinc/34/06/87/592340687.db2.gz CNHDQGGCXCQYBE-QGTPRVQTSA-N 2 1 338.455 1.705 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1ccc(N3CCOCC3)cc1)C2 ZINC000903843585 592342886 /nfs/dbraw/zinc/34/28/86/592342886.db2.gz NWWJTUIKGKZHJC-MPGHIAIKSA-N 2 1 344.459 1.273 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1ccc(N3CCOCC3)cc1)C2 ZINC000903843585 592342893 /nfs/dbraw/zinc/34/28/93/592342893.db2.gz NWWJTUIKGKZHJC-MPGHIAIKSA-N 2 1 344.459 1.273 20 0 EDADMP CCOC(=O)N1CCC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903888778 592351118 /nfs/dbraw/zinc/35/11/18/592351118.db2.gz KXQMUWYBZKMGLF-OAHLLOKOSA-N 2 1 337.468 1.010 20 0 EDADMP CCOC(=O)N1CCC[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903888778 592351122 /nfs/dbraw/zinc/35/11/22/592351122.db2.gz KXQMUWYBZKMGLF-OAHLLOKOSA-N 2 1 337.468 1.010 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CCN(C)c2ccccc2)cnn1C ZINC000903891538 592352442 /nfs/dbraw/zinc/35/24/42/592352442.db2.gz CBPCFVUKAVDNPG-QGZVFWFLSA-N 2 1 329.492 1.914 20 0 EDADMP c1csc(C[NH+]2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000903876164 592357027 /nfs/dbraw/zinc/35/70/27/592357027.db2.gz FAVLJBWJKNCIOC-OAHLLOKOSA-N 2 1 346.504 1.582 20 0 EDADMP C[C@@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@H]1n1ccnc1 ZINC000903898141 592369574 /nfs/dbraw/zinc/36/95/74/592369574.db2.gz JRQAUPAZOLEXCA-BFYDXBDKSA-N 2 1 329.452 1.482 20 0 EDADMP C[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@H]1n1ccnc1 ZINC000903898141 592369578 /nfs/dbraw/zinc/36/95/78/592369578.db2.gz JRQAUPAZOLEXCA-BFYDXBDKSA-N 2 1 329.452 1.482 20 0 EDADMP NC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n[nH]1 ZINC000903908535 592373407 /nfs/dbraw/zinc/37/34/07/592373407.db2.gz KOUBKJJEKBPMIM-OAHLLOKOSA-N 2 1 339.443 1.534 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)CCNC(=O)OC(C)(C)C)cnn1C ZINC000903929453 592381789 /nfs/dbraw/zinc/38/17/89/592381789.db2.gz GBWGWCYKNZPTJU-AWEZNQCLSA-N 2 1 339.484 1.302 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000903933882 592386289 /nfs/dbraw/zinc/38/62/89/592386289.db2.gz XOWVHSQDEYVZPT-SJORKVTESA-N 3 1 332.496 1.414 20 0 EDADMP COC(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c[nH]1 ZINC000903980785 592401539 /nfs/dbraw/zinc/40/15/39/592401539.db2.gz ZUTHJFDPPSJEFL-IYBDPMFKSA-N 2 1 332.448 1.202 20 0 EDADMP COC(=O)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)[nH]1 ZINC000903980716 592401766 /nfs/dbraw/zinc/40/17/66/592401766.db2.gz YMOQQKJPUZTUHC-IYBDPMFKSA-N 2 1 332.448 1.202 20 0 EDADMP C[NH2+]CCOc1cccc(-c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)c1 ZINC000904098574 592425096 /nfs/dbraw/zinc/42/50/96/592425096.db2.gz BYDWKXSPOUOHKC-HOCLYGCPSA-N 2 1 344.415 1.871 20 0 EDADMP COCCCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC[NH+](C)CC1 ZINC000908293898 592435160 /nfs/dbraw/zinc/43/51/60/592435160.db2.gz KHSBKSGZHRQRMR-WMZOPIPTSA-N 2 1 337.508 1.963 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000905399828 592521423 /nfs/dbraw/zinc/52/14/23/592521423.db2.gz JIZHMAMLUQCMGI-IBGZPJMESA-N 2 1 344.503 1.433 20 0 EDADMP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000905503254 592546176 /nfs/dbraw/zinc/54/61/76/592546176.db2.gz OESYEJQTWBDUTA-ZKXLYKBJSA-N 2 1 328.497 1.089 20 0 EDADMP CC[C@H](CN1CCOCC1)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000905553322 592574192 /nfs/dbraw/zinc/57/41/92/592574192.db2.gz UGKPHFMVZMXOBR-MOPGFXCFSA-N 2 1 335.492 1.180 20 0 EDADMP CC[C@H](CN1CCOCC1)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000905553322 592574194 /nfs/dbraw/zinc/57/41/94/592574194.db2.gz UGKPHFMVZMXOBR-MOPGFXCFSA-N 2 1 335.492 1.180 20 0 EDADMP FC1(F)CC[NH2+]C[C@@H]1CNc1nc(N[C@H]2CCCOC2)cc[nH+]1 ZINC000905679618 592610048 /nfs/dbraw/zinc/61/00/48/592610048.db2.gz YPTLISKTCMLBEZ-NEPJUHHUSA-N 2 1 327.379 1.724 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000907405006 592630299 /nfs/dbraw/zinc/63/02/99/592630299.db2.gz OKAUJMISRKBHRC-VYCZESIESA-N 2 1 331.460 1.078 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000907405006 592630302 /nfs/dbraw/zinc/63/03/02/592630302.db2.gz OKAUJMISRKBHRC-VYCZESIESA-N 2 1 331.460 1.078 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907405006 592630304 /nfs/dbraw/zinc/63/03/04/592630304.db2.gz OKAUJMISRKBHRC-VYCZESIESA-N 2 1 331.460 1.078 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907405006 592630306 /nfs/dbraw/zinc/63/03/06/592630306.db2.gz OKAUJMISRKBHRC-VYCZESIESA-N 2 1 331.460 1.078 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)CCC2(O)CCC2)CC1 ZINC000905931279 592687407 /nfs/dbraw/zinc/68/74/07/592687407.db2.gz KSCNGJDBZQBGRC-RDJZCZTQSA-N 2 1 328.497 1.067 20 0 EDADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221867 592761103 /nfs/dbraw/zinc/76/11/03/592761103.db2.gz JDUWHUAWLSCTBG-HOTGVXAUSA-N 2 1 331.464 1.047 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@H](C)CC)CC2)C1 ZINC000909261555 592788655 /nfs/dbraw/zinc/78/86/55/592788655.db2.gz KPMPAGGBOJWZDC-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@H](C)CC)CC2)C1 ZINC000909261555 592788658 /nfs/dbraw/zinc/78/86/58/592788658.db2.gz KPMPAGGBOJWZDC-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP Cc1cc(C)c(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(C)n1 ZINC000906511606 592837590 /nfs/dbraw/zinc/83/75/90/592837590.db2.gz LNGJQIUCGJPSLL-INIZCTEOSA-N 2 1 344.459 1.561 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906644088 592865351 /nfs/dbraw/zinc/86/53/51/592865351.db2.gz HLFLITPRWMNUMV-CQSZACIVSA-N 2 1 332.448 1.465 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000906645389 592865631 /nfs/dbraw/zinc/86/56/31/592865631.db2.gz LUMJIRUWZGDJBK-CVEARBPZSA-N 2 1 344.459 1.562 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000906645399 592865681 /nfs/dbraw/zinc/86/56/81/592865681.db2.gz LUMJIRUWZGDJBK-JKSUJKDBSA-N 2 1 344.459 1.562 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000911188742 592945476 /nfs/dbraw/zinc/94/54/76/592945476.db2.gz VZVXSIBRQGXUOD-CQSZACIVSA-N 2 1 340.512 1.056 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])c1ccccc1I ZINC000911745145 592995721 /nfs/dbraw/zinc/99/57/21/592995721.db2.gz MFJKWLZGKYDSHX-KWQFWETISA-N 2 1 347.200 1.145 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736479863 593011531 /nfs/dbraw/zinc/01/15/31/593011531.db2.gz KJRISGJRGIODEI-CYBMUJFWSA-N 2 1 340.435 1.336 20 0 EDADMP C[C@H]1C[C@@H](C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)CC[N@H+]1C ZINC000888379162 593039183 /nfs/dbraw/zinc/03/91/83/593039183.db2.gz LVJSNABBZBZNQG-GJZGRUSLSA-N 2 1 331.464 1.502 20 0 EDADMP C[C@H]1C[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000888379162 593039185 /nfs/dbraw/zinc/03/91/85/593039185.db2.gz LVJSNABBZBZNQG-GJZGRUSLSA-N 3 1 331.464 1.502 20 0 EDADMP C[C@H]1C[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000888379162 593039187 /nfs/dbraw/zinc/03/91/87/593039187.db2.gz LVJSNABBZBZNQG-GJZGRUSLSA-N 3 1 331.464 1.502 20 0 EDADMP OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000808795739 593288253 /nfs/dbraw/zinc/28/82/53/593288253.db2.gz XKZAUNWPZXUAKS-RBUKOAKNSA-N 2 1 336.451 1.509 20 0 EDADMP OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000808795739 593288254 /nfs/dbraw/zinc/28/82/54/593288254.db2.gz XKZAUNWPZXUAKS-RBUKOAKNSA-N 2 1 336.451 1.509 20 0 EDADMP CC(C)[C@@H]1N(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C(=O)[C@@]12CCCO2 ZINC000840025446 593387872 /nfs/dbraw/zinc/38/78/72/593387872.db2.gz CGYXEJFWDDQQFZ-VXIBKDFQSA-N 2 1 335.492 1.776 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C(=O)C3(CCC3)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000811747615 593478372 /nfs/dbraw/zinc/47/83/72/593478372.db2.gz PESMJCIWWWSIPT-IRXDYDNUSA-N 2 1 335.492 1.778 20 0 EDADMP CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000816635598 593536499 /nfs/dbraw/zinc/53/64/99/593536499.db2.gz QUCILCFNYKEINO-KRWDZBQOSA-N 2 1 338.423 1.960 20 0 EDADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000817893411 593645901 /nfs/dbraw/zinc/64/59/01/593645901.db2.gz SRQQBUIJQQDFRE-HZPDHXFCSA-N 2 1 325.478 1.356 20 0 EDADMP COC1CC[NH+](C2(C[NH2+]CCC(=O)N(C)OC)CCCC2)CC1 ZINC000819038194 593735051 /nfs/dbraw/zinc/73/50/51/593735051.db2.gz CDPXVTZKTYHPQC-UHFFFAOYSA-N 2 1 327.469 1.410 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000819093247 593738470 /nfs/dbraw/zinc/73/84/70/593738470.db2.gz MTVJIUKWQKXJAN-XUJLQICISA-N 2 1 341.496 1.867 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000819093247 593738471 /nfs/dbraw/zinc/73/84/71/593738471.db2.gz MTVJIUKWQKXJAN-XUJLQICISA-N 2 1 341.496 1.867 20 0 EDADMP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)CC1(C)OCCO1 ZINC000819097132 593738716 /nfs/dbraw/zinc/73/87/16/593738716.db2.gz XPPPGCBBYTXBCI-AEFFLSMTSA-N 2 1 336.476 1.858 20 0 EDADMP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC1(C)OCCO1 ZINC000819097132 593738717 /nfs/dbraw/zinc/73/87/17/593738717.db2.gz XPPPGCBBYTXBCI-AEFFLSMTSA-N 2 1 336.476 1.858 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(F)ccc1F ZINC000819172856 593742871 /nfs/dbraw/zinc/74/28/71/593742871.db2.gz GNZXOTFYDFRGPT-FGTMMUONSA-N 2 1 340.414 1.966 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1(C)C ZINC000819287522 593748402 /nfs/dbraw/zinc/74/84/02/593748402.db2.gz OMUNKFQWJKGGQE-INIZCTEOSA-N 2 1 325.884 1.989 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000820100569 593791144 /nfs/dbraw/zinc/79/11/44/593791144.db2.gz NWDTYZBYUYDJBI-QXCZDIPSSA-N 2 1 341.455 1.096 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000820100569 593791145 /nfs/dbraw/zinc/79/11/45/593791145.db2.gz NWDTYZBYUYDJBI-QXCZDIPSSA-N 2 1 341.455 1.096 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000820100569 593791146 /nfs/dbraw/zinc/79/11/46/593791146.db2.gz NWDTYZBYUYDJBI-QXCZDIPSSA-N 2 1 341.455 1.096 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821160479 593979043 /nfs/dbraw/zinc/97/90/43/593979043.db2.gz LJWQZITWGCMCDP-CQSZACIVSA-N 2 1 330.436 1.519 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821160479 593979044 /nfs/dbraw/zinc/97/90/44/593979044.db2.gz LJWQZITWGCMCDP-CQSZACIVSA-N 2 1 330.436 1.519 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821160479 593979045 /nfs/dbraw/zinc/97/90/45/593979045.db2.gz LJWQZITWGCMCDP-CQSZACIVSA-N 2 1 330.436 1.519 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821160479 593979046 /nfs/dbraw/zinc/97/90/46/593979046.db2.gz LJWQZITWGCMCDP-CQSZACIVSA-N 2 1 330.436 1.519 20 0 EDADMP COC(=O)[C@]12C[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]1COCC2 ZINC000825748772 594237224 /nfs/dbraw/zinc/23/72/24/594237224.db2.gz JASAEUQAWBLDNG-KBXCAEBGSA-N 2 1 342.399 1.279 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCCCC[NH3+] ZINC000829971266 594303933 /nfs/dbraw/zinc/30/39/33/594303933.db2.gz YEPWLCKQBQBSRA-MRXNPFEDSA-N 2 1 333.480 1.227 20 0 EDADMP CC1(C)[C@H](O)CC[NH+]1Cc1cncc(C[N@@H+]2CC[C@@H](O)C2(C)C)c1 ZINC000829973434 594304602 /nfs/dbraw/zinc/30/46/02/594304602.db2.gz FEETXIFGHYMOFB-IAGOWNOFSA-N 2 1 333.476 1.772 20 0 EDADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC[S@@](C)=O)CC2)CC1 ZINC000828012894 594321758 /nfs/dbraw/zinc/32/17/58/594321758.db2.gz ZDAJKUVDCRQSHB-JOCHJYFZSA-N 2 1 329.554 1.493 20 0 EDADMP C[N@H+](CCC1CCN(C2CC[NH+](C)CC2)CC1)CC[S@@](C)=O ZINC000828012894 594321761 /nfs/dbraw/zinc/32/17/61/594321761.db2.gz ZDAJKUVDCRQSHB-JOCHJYFZSA-N 2 1 329.554 1.493 20 0 EDADMP C[N@@H+](CCC1CCN(C2CC[NH+](C)CC2)CC1)CC[S@@](C)=O ZINC000828012894 594321763 /nfs/dbraw/zinc/32/17/63/594321763.db2.gz ZDAJKUVDCRQSHB-JOCHJYFZSA-N 2 1 329.554 1.493 20 0 EDADMP C[C@]1(CNC(=O)N[C@@]2(C)CC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000831078244 594550164 /nfs/dbraw/zinc/55/01/64/594550164.db2.gz DCXZLYXXDPUOIP-MOPGFXCFSA-N 2 1 330.476 1.950 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000826999993 594620503 /nfs/dbraw/zinc/62/05/03/594620503.db2.gz FXUYAEYHCVEJHG-INIZCTEOSA-N 2 1 327.388 1.602 20 0 EDADMP CCOc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)ccc1OC(=O)CC ZINC000840938342 594830363 /nfs/dbraw/zinc/83/03/63/594830363.db2.gz BXHYOCSLJCZVAQ-GOSISDBHSA-N 2 1 336.432 1.557 20 0 EDADMP CCOc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)ccc1OC(=O)CC ZINC000840938342 594830365 /nfs/dbraw/zinc/83/03/65/594830365.db2.gz BXHYOCSLJCZVAQ-GOSISDBHSA-N 2 1 336.432 1.557 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000841790496 594953268 /nfs/dbraw/zinc/95/32/68/594953268.db2.gz YIPDEHFSPLHLME-HOTGVXAUSA-N 2 1 336.480 1.025 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841928642 594983732 /nfs/dbraw/zinc/98/37/32/594983732.db2.gz QPKAHIJRIABAAK-MSOLQXFVSA-N 2 1 330.476 1.814 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc(C4CC[NH2+]CC4)n3)cn2)CC1 ZINC000843209241 595036680 /nfs/dbraw/zinc/03/66/80/595036680.db2.gz YLZFFEKVQZGXMJ-UHFFFAOYSA-N 2 1 342.447 1.741 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000843263554 595057618 /nfs/dbraw/zinc/05/76/18/595057618.db2.gz YEAKREMPLSURLR-HNNXBMFYSA-N 2 1 340.512 1.248 20 0 EDADMP CCCCOC(=O)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843362979 595087797 /nfs/dbraw/zinc/08/77/97/595087797.db2.gz WASJHOARYJXVRB-JKSUJKDBSA-N 2 1 339.480 1.300 20 0 EDADMP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000843063426 595277520 /nfs/dbraw/zinc/27/75/20/595277520.db2.gz ZVFBXXNMJVHLSL-KRWDZBQOSA-N 2 1 334.464 1.128 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844172443 595291046 /nfs/dbraw/zinc/29/10/46/595291046.db2.gz YAAWODHWFMWIAI-SFHVURJKSA-N 2 1 333.476 1.912 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000846995888 595348272 /nfs/dbraw/zinc/34/82/72/595348272.db2.gz PNLYEKUBTSICSN-YJBOKZPZSA-N 2 1 341.496 1.774 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cn1 ZINC000848408950 595374894 /nfs/dbraw/zinc/37/48/94/595374894.db2.gz HBWCECVZGDPWJE-YJBOKZPZSA-N 2 1 325.416 1.582 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)n3)C2)C1 ZINC000844902846 595411180 /nfs/dbraw/zinc/41/11/80/595411180.db2.gz RISRQABMTNVUNJ-FRQCXROJSA-N 2 1 341.459 1.986 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)n3)C2)C1 ZINC000844902846 595411183 /nfs/dbraw/zinc/41/11/83/595411183.db2.gz RISRQABMTNVUNJ-FRQCXROJSA-N 2 1 341.459 1.986 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[S@](C)=O)cc1 ZINC000849051102 595475383 /nfs/dbraw/zinc/47/53/83/595475383.db2.gz WRVWYTZBEAGIJP-MWTRTKDXSA-N 2 1 336.505 1.663 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1OC ZINC000849068531 595477434 /nfs/dbraw/zinc/47/74/34/595477434.db2.gz NWFJUDRYZYHYSL-HNNXBMFYSA-N 2 1 334.464 1.845 20 0 EDADMP O=C([C@@H]1[NH2+]CC12CCOCC2)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000852778505 595539033 /nfs/dbraw/zinc/53/90/33/595539033.db2.gz OSFRJFGTKVRVST-SFHVURJKSA-N 2 1 343.471 1.490 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849486333 595547805 /nfs/dbraw/zinc/54/78/05/595547805.db2.gz GMVNWYXRAILDIK-QZTJIDSGSA-N 2 1 347.507 1.444 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852857965 595578971 /nfs/dbraw/zinc/57/89/71/595578971.db2.gz LKJCNGQKMJLYSI-RHSMWYFYSA-N 2 1 344.459 1.781 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C=C3CC[NH2+]CC3)c2)CCO1 ZINC000852862982 595584225 /nfs/dbraw/zinc/58/42/25/595584225.db2.gz OHAZWZMWPBQJNW-INIZCTEOSA-N 2 1 343.471 1.833 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C=C3CC[NH2+]CC3)c2)CCO1 ZINC000852862982 595584228 /nfs/dbraw/zinc/58/42/28/595584228.db2.gz OHAZWZMWPBQJNW-INIZCTEOSA-N 2 1 343.471 1.833 20 0 EDADMP CC1(C)CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000852866134 595586039 /nfs/dbraw/zinc/58/60/39/595586039.db2.gz FSYLELOZAVNNQE-HNNXBMFYSA-N 2 1 330.432 1.213 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849597100 595586517 /nfs/dbraw/zinc/58/65/17/595586517.db2.gz RAGDADVKLSHTQP-OIISXLGYSA-N 2 1 335.496 1.300 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849597100 595586520 /nfs/dbraw/zinc/58/65/20/595586520.db2.gz RAGDADVKLSHTQP-OIISXLGYSA-N 2 1 335.496 1.300 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849597100 595586523 /nfs/dbraw/zinc/58/65/23/595586523.db2.gz RAGDADVKLSHTQP-OIISXLGYSA-N 2 1 335.496 1.300 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849598327 595588151 /nfs/dbraw/zinc/58/81/51/595588151.db2.gz ZNZUFWPIYAXFAQ-CGTJXYLNSA-N 2 1 349.523 1.692 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849598327 595588152 /nfs/dbraw/zinc/58/81/52/595588152.db2.gz ZNZUFWPIYAXFAQ-CGTJXYLNSA-N 2 1 349.523 1.692 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849598327 595588153 /nfs/dbraw/zinc/58/81/53/595588153.db2.gz ZNZUFWPIYAXFAQ-CGTJXYLNSA-N 2 1 349.523 1.692 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884014 595597676 /nfs/dbraw/zinc/59/76/76/595597676.db2.gz CNJTUNBIFULWOS-HOCLYGCPSA-N 2 1 330.432 1.213 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849613615 595597660 /nfs/dbraw/zinc/59/76/60/595597660.db2.gz UKTGIIIDEXRWFE-SQNIBIBYSA-N 2 1 347.507 1.444 20 0 EDADMP c1[nH]nc2c1CCC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000857851294 595632490 /nfs/dbraw/zinc/63/24/90/595632490.db2.gz LZNMDZFCXLHBRF-GOSISDBHSA-N 2 1 340.475 1.984 20 0 EDADMP C[C@@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+]1CCCCC1 ZINC000853466222 595759287 /nfs/dbraw/zinc/75/92/87/595759287.db2.gz WRJLNDDIXPSZAZ-RDJZCZTQSA-N 2 1 338.496 1.101 20 0 EDADMP CN1CCN(Cc2ccccc2)[C@@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858635113 595851804 /nfs/dbraw/zinc/85/18/04/595851804.db2.gz VDAOZXDLCAYIBB-IBGZPJMESA-N 2 1 326.444 1.802 20 0 EDADMP COC(=O)c1nc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1Cl ZINC000854221566 596006916 /nfs/dbraw/zinc/00/69/16/596006916.db2.gz PJJCFBHFLQLYCT-IRUJWGPZSA-N 2 1 327.812 1.364 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cncn3C)C2)ccn1 ZINC000856553000 596017551 /nfs/dbraw/zinc/01/75/51/596017551.db2.gz JVALWHNCMLEABF-SFHVURJKSA-N 2 1 329.448 1.920 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cncn3C)C2)ccn1 ZINC000856553000 596017556 /nfs/dbraw/zinc/01/75/56/596017556.db2.gz JVALWHNCMLEABF-SFHVURJKSA-N 2 1 329.448 1.920 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cncn3C)C2)ccn1 ZINC000856553000 596017559 /nfs/dbraw/zinc/01/75/59/596017559.db2.gz JVALWHNCMLEABF-SFHVURJKSA-N 2 1 329.448 1.920 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cncn3C)C2)ccn1 ZINC000856553000 596017563 /nfs/dbraw/zinc/01/75/63/596017563.db2.gz JVALWHNCMLEABF-SFHVURJKSA-N 2 1 329.448 1.920 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[S@@](C)=O)C2)ccn1 ZINC000856584916 596022881 /nfs/dbraw/zinc/02/28/81/596022881.db2.gz URFOFUXPVJHEPT-KSFYIVLOSA-N 2 1 325.478 1.365 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC[S@@](C)=O)C2)ccn1 ZINC000856584916 596022884 /nfs/dbraw/zinc/02/28/84/596022884.db2.gz URFOFUXPVJHEPT-KSFYIVLOSA-N 2 1 325.478 1.365 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC[S@@](C)=O)C2)ccn1 ZINC000856584916 596022886 /nfs/dbraw/zinc/02/28/86/596022886.db2.gz URFOFUXPVJHEPT-KSFYIVLOSA-N 2 1 325.478 1.365 20 0 EDADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H]3CCN(C)C3=O)C2)ccn1 ZINC000856599173 596030569 /nfs/dbraw/zinc/03/05/69/596030569.db2.gz GHLIYYYOYPVLJU-QZTJIDSGSA-N 2 1 346.475 1.606 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H]3CCN(C)C3=O)C2)ccn1 ZINC000856599173 596030573 /nfs/dbraw/zinc/03/05/73/596030573.db2.gz GHLIYYYOYPVLJU-QZTJIDSGSA-N 2 1 346.475 1.606 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)ccn1 ZINC000856599173 596030577 /nfs/dbraw/zinc/03/05/77/596030577.db2.gz GHLIYYYOYPVLJU-QZTJIDSGSA-N 2 1 346.475 1.606 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)ccn1 ZINC000856599173 596030582 /nfs/dbraw/zinc/03/05/82/596030582.db2.gz GHLIYYYOYPVLJU-QZTJIDSGSA-N 2 1 346.475 1.606 20 0 EDADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598819 596030605 /nfs/dbraw/zinc/03/06/05/596030605.db2.gz CHRGODWXCFWLGT-DLBZAZTESA-N 2 1 334.464 1.639 20 0 EDADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598819 596030609 /nfs/dbraw/zinc/03/06/09/596030609.db2.gz CHRGODWXCFWLGT-DLBZAZTESA-N 2 1 334.464 1.639 20 0 EDADMP CC[C@H](C(N)=O)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856598819 596030612 /nfs/dbraw/zinc/03/06/12/596030612.db2.gz CHRGODWXCFWLGT-DLBZAZTESA-N 2 1 334.464 1.639 20 0 EDADMP CC[C@H](C(N)=O)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856598819 596030616 /nfs/dbraw/zinc/03/06/16/596030616.db2.gz CHRGODWXCFWLGT-DLBZAZTESA-N 2 1 334.464 1.639 20 0 EDADMP COc1cnc(F)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000861577771 596034354 /nfs/dbraw/zinc/03/43/54/596034354.db2.gz VTPWOGGMHDBQTL-LBPRGKRZSA-N 2 1 341.431 1.623 20 0 EDADMP COc1cnc(F)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000861577771 596034358 /nfs/dbraw/zinc/03/43/58/596034358.db2.gz VTPWOGGMHDBQTL-LBPRGKRZSA-N 2 1 341.431 1.623 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)N(C)C[C@H](C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000861619779 596049454 /nfs/dbraw/zinc/04/94/54/596049454.db2.gz NHFCPWPVZDONDP-MORSLUCNSA-N 2 1 346.475 1.962 20 0 EDADMP NC(=O)c1ccc(CC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000866667653 596285928 /nfs/dbraw/zinc/28/59/28/596285928.db2.gz UAGLALLUTFCPII-RCCFBDPRSA-N 2 1 331.460 1.546 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862325979 596301791 /nfs/dbraw/zinc/30/17/91/596301791.db2.gz IBGSRNCGRBQVTF-DOMZBBRYSA-N 2 1 349.422 1.287 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862325979 596301793 /nfs/dbraw/zinc/30/17/93/596301793.db2.gz IBGSRNCGRBQVTF-DOMZBBRYSA-N 2 1 349.422 1.287 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000866714189 596306952 /nfs/dbraw/zinc/30/69/52/596306952.db2.gz IEJZMAKZKWETCI-LLLHUVSDSA-N 2 1 331.391 1.680 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC000870865824 596382868 /nfs/dbraw/zinc/38/28/68/596382868.db2.gz LKSGOQUNJLEHHW-QAQDUYKDSA-N 2 1 330.476 1.890 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)CCc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1C ZINC000123390622 596396472 /nfs/dbraw/zinc/39/64/72/596396472.db2.gz VTXCOHDTDGVTJT-UKRRQHHQSA-N 2 1 325.478 1.291 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)CCc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1C ZINC000123390622 596396477 /nfs/dbraw/zinc/39/64/77/596396477.db2.gz VTXCOHDTDGVTJT-UKRRQHHQSA-N 2 1 325.478 1.291 20 0 EDADMP C[C@@H]1C[C@H]([N@H+](C)CCc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123390622 596396481 /nfs/dbraw/zinc/39/64/81/596396481.db2.gz VTXCOHDTDGVTJT-UKRRQHHQSA-N 2 1 325.478 1.291 20 0 EDADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123390622 596396483 /nfs/dbraw/zinc/39/64/83/596396483.db2.gz VTXCOHDTDGVTJT-UKRRQHHQSA-N 2 1 325.478 1.291 20 0 EDADMP C[N@H+]1CCN(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CCC1(C)C ZINC000868167561 596708247 /nfs/dbraw/zinc/70/82/47/596708247.db2.gz RZIQXOUIMPMXHA-CQSZACIVSA-N 2 1 331.464 1.846 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868185848 596715310 /nfs/dbraw/zinc/71/53/10/596715310.db2.gz GWIAQLSRWXZUOV-YESZJQIVSA-N 2 1 332.448 1.734 20 0 EDADMP C[C@H](NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1=CC[N@@H+](C)CC1 ZINC000868239680 596741080 /nfs/dbraw/zinc/74/10/80/596741080.db2.gz XDMHYWHODWCPIE-AFAVFJNCSA-N 2 1 342.443 1.206 20 0 EDADMP CCS(=O)(=O)NCCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156474 596815795 /nfs/dbraw/zinc/81/57/95/596815795.db2.gz KBRJHJPVZTWPGN-WBVHZDCISA-N 2 1 345.553 1.935 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])[C@@H](C)C1 ZINC000872191231 596827931 /nfs/dbraw/zinc/82/79/31/596827931.db2.gz XUEHTBQNRIPXLQ-HOTGVXAUSA-N 2 1 340.512 1.153 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+]C[C@H](O)CC(C)(C)O)[C@@H](c2ccccc2)C1 ZINC000872198693 596831446 /nfs/dbraw/zinc/83/14/46/596831446.db2.gz XUFFNFOQXCEDSY-RTBURBONSA-N 2 1 349.519 1.477 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)CC(C)(C)O)c2)CCO1 ZINC000872198794 596831551 /nfs/dbraw/zinc/83/15/51/596831551.db2.gz BRUJKRRVIZADET-CRAIPNDOSA-N 2 1 336.476 1.519 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)CC(C)(C)O)c2)CCO1 ZINC000872198794 596831553 /nfs/dbraw/zinc/83/15/53/596831553.db2.gz BRUJKRRVIZADET-CRAIPNDOSA-N 2 1 336.476 1.519 20 0 EDADMP CCCOc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254341 596855373 /nfs/dbraw/zinc/85/53/73/596855373.db2.gz ADYMGRQDHIOEFH-JQHSSLGASA-N 2 1 345.443 1.842 20 0 EDADMP COCC[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000872633837 597001780 /nfs/dbraw/zinc/00/17/80/597001780.db2.gz PBTLNXVHOSYHBS-QGZVFWFLSA-N 2 1 337.508 1.881 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000872633837 597001783 /nfs/dbraw/zinc/00/17/83/597001783.db2.gz PBTLNXVHOSYHBS-QGZVFWFLSA-N 2 1 337.508 1.881 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000874468299 597094140 /nfs/dbraw/zinc/09/41/40/597094140.db2.gz XFQHYKBATOVBRK-INIZCTEOSA-N 2 1 334.464 1.766 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1 ZINC000873112696 597200255 /nfs/dbraw/zinc/20/02/55/597200255.db2.gz ZKDLHZOHOOYCTH-CVEARBPZSA-N 2 1 330.432 1.040 20 0 EDADMP COCCC1([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC[NH2+]CC1 ZINC000873225492 597232626 /nfs/dbraw/zinc/23/26/26/597232626.db2.gz QYZYQVCCVPBFCH-UHFFFAOYSA-N 2 1 335.473 1.848 20 0 EDADMP COC(=O)COc1c(C)cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1C ZINC000873228345 597234195 /nfs/dbraw/zinc/23/41/95/597234195.db2.gz CXTIJOGIQNMIBR-QFBILLFUSA-N 2 1 332.444 1.897 20 0 EDADMP COC(=O)COc1c(C)cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1C ZINC000873228345 597234196 /nfs/dbraw/zinc/23/41/96/597234196.db2.gz CXTIJOGIQNMIBR-QFBILLFUSA-N 2 1 332.444 1.897 20 0 EDADMP Cn1cc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c(=O)n(C)c1=O ZINC000873232154 597235408 /nfs/dbraw/zinc/23/54/08/597235408.db2.gz LVSRXMLRDBPUCK-WMLDXEAASA-N 2 1 348.491 1.204 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)C[C@H](C)O1 ZINC000875042068 597256431 /nfs/dbraw/zinc/25/64/31/597256431.db2.gz JTHSMZUICODFIH-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)CCC1(C)C ZINC000875077689 597272745 /nfs/dbraw/zinc/27/27/45/597272745.db2.gz HJCTWUBEYBXVFE-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP O=C(N1CC[NH+](CCc2ccccc2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876715962 597301858 /nfs/dbraw/zinc/30/18/58/597301858.db2.gz RQKZTRPNKZXCMA-QUCCMNQESA-N 2 1 327.472 1.906 20 0 EDADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000876716469 597302451 /nfs/dbraw/zinc/30/24/51/597302451.db2.gz YBWXTQJEMQQWRG-ZCEIVNQLSA-N 2 1 327.472 1.785 20 0 EDADMP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000876727135 597308502 /nfs/dbraw/zinc/30/85/02/597308502.db2.gz UMSTUWNQAMSSDJ-KJPDOMRESA-N 2 1 333.501 1.991 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000876737930 597314618 /nfs/dbraw/zinc/31/46/18/597314618.db2.gz XCRZBSQSIJRJLD-DJIMGWMZSA-N 2 1 347.507 1.966 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000875240825 597348404 /nfs/dbraw/zinc/34/84/04/597348404.db2.gz SKANMOYKBXEZSG-HNNXBMFYSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H](NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876900870 597377934 /nfs/dbraw/zinc/37/79/34/597377934.db2.gz SJWWFXFWKSEPCL-XOYOTBSWSA-N 2 1 333.451 1.961 20 0 EDADMP [NH3+]C1(CNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000876921298 597385465 /nfs/dbraw/zinc/38/54/65/597385465.db2.gz ASMFTWTWEWABJR-IAGOWNOFSA-N 2 1 348.466 1.044 20 0 EDADMP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000876960815 597397326 /nfs/dbraw/zinc/39/73/26/597397326.db2.gz NKFHUJPLEDUIGS-BOYOMHKPSA-N 2 1 343.471 1.425 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000877206313 597461594 /nfs/dbraw/zinc/46/15/94/597461594.db2.gz GLDSPGWOWJCPCW-OAHLLOKOSA-N 2 1 333.480 1.672 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000877228668 597469219 /nfs/dbraw/zinc/46/92/19/597469219.db2.gz CARTUONRKUFOCF-QRVBRYPASA-N 2 1 345.487 1.700 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000877228668 597469220 /nfs/dbraw/zinc/46/92/20/597469220.db2.gz CARTUONRKUFOCF-QRVBRYPASA-N 2 1 345.487 1.700 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)CC[NH2+]C(C)C)C1 ZINC000877231655 597470681 /nfs/dbraw/zinc/47/06/81/597470681.db2.gz QCIXNMMEVNUFLF-GOSISDBHSA-N 2 1 333.476 1.700 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)CC[NH2+]C(C)C)C1 ZINC000877231655 597470682 /nfs/dbraw/zinc/47/06/82/597470682.db2.gz QCIXNMMEVNUFLF-GOSISDBHSA-N 2 1 333.476 1.700 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(F)cc2F)C[C@@H]1C(F)(F)F ZINC000877354558 597499435 /nfs/dbraw/zinc/49/94/35/597499435.db2.gz HHUIITJGJKXZSE-VHRDEZTHSA-N 2 1 337.292 1.560 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000877357994 597500355 /nfs/dbraw/zinc/50/03/55/597500355.db2.gz APCZHKFIYXLGAY-IHRRRGAJSA-N 2 1 329.366 1.885 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)CC2(O)CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878324348 597595415 /nfs/dbraw/zinc/59/54/15/597595415.db2.gz LLKSQUVBIOGGJC-FGTMMUONSA-N 2 1 339.524 1.000 20 0 EDADMP Cn1nnnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000878562926 597636848 /nfs/dbraw/zinc/63/68/48/597636848.db2.gz INYLMEUUIMDQAN-MRXNPFEDSA-N 2 1 328.464 1.643 20 0 EDADMP Cn1nnnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000878562926 597636850 /nfs/dbraw/zinc/63/68/50/597636850.db2.gz INYLMEUUIMDQAN-MRXNPFEDSA-N 2 1 328.464 1.643 20 0 EDADMP C[NH+]1CCC(NC(=O)C[NH+]2CCC(F)(c3ccccn3)CC2)CC1 ZINC000878573946 597639769 /nfs/dbraw/zinc/63/97/69/597639769.db2.gz ODBRJWFINDBMBM-UHFFFAOYSA-N 2 1 334.439 1.553 20 0 EDADMP CC(C)C[N@H+](CC(=O)NC[C@@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000879702267 597694566 /nfs/dbraw/zinc/69/45/66/597694566.db2.gz IKFAJKGVXXHOQO-KRWDZBQOSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[N@@H+](C[C@@H](O)COC[C@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000879702677 597694669 /nfs/dbraw/zinc/69/46/69/597694669.db2.gz UOTYHNSECOODPA-RTBURBONSA-N 2 1 342.524 1.843 20 0 EDADMP COCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000879707906 597696791 /nfs/dbraw/zinc/69/67/91/597696791.db2.gz IWUGGKKZQJJWJS-UHFFFAOYSA-N 2 1 341.496 1.103 20 0 EDADMP CC[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CCCOC1 ZINC000883353534 597723177 /nfs/dbraw/zinc/72/31/77/597723177.db2.gz WXDHNZSYHQBAAZ-DLBZAZTESA-N 2 1 333.480 1.523 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)CC2(O)CCCCC2)CCO1 ZINC000879001233 597781094 /nfs/dbraw/zinc/78/10/94/597781094.db2.gz SYDRERSBUBHHOE-SJORKVTESA-N 2 1 328.497 1.475 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)CC2(O)CCCCC2)CCO1 ZINC000879001233 597781096 /nfs/dbraw/zinc/78/10/96/597781096.db2.gz SYDRERSBUBHHOE-SJORKVTESA-N 2 1 328.497 1.475 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@]3(CCc4ccccc43)C2)CC1 ZINC000879997686 597803838 /nfs/dbraw/zinc/80/38/38/597803838.db2.gz RDGMYIUWQSCMAX-FQEVSTJZSA-N 2 1 327.472 1.787 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCCN(C(C)C)C1=O ZINC000879125071 597827049 /nfs/dbraw/zinc/82/70/49/597827049.db2.gz NXDKVPAHWBZFKS-KRWDZBQOSA-N 2 1 325.497 1.676 20 0 EDADMP COCC[N@H+](Cc1cc(=O)n2ccccc2n1)CC1CC[NH+](C)CC1 ZINC000879126157 597827440 /nfs/dbraw/zinc/82/74/40/597827440.db2.gz UQGKIEMDZWIOKT-UHFFFAOYSA-N 2 1 344.459 1.485 20 0 EDADMP C[NH+]1CCC(NC(=O)C[NH+]2CCC(Cc3nccs3)CC2)CC1 ZINC000879206319 597848648 /nfs/dbraw/zinc/84/86/48/597848648.db2.gz KKXHRTMUDBRRNK-UHFFFAOYSA-N 2 1 336.505 1.608 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000879210170 597849214 /nfs/dbraw/zinc/84/92/14/597849214.db2.gz UTSNFMXLAAUIGG-FQEVSTJZSA-N 2 1 345.487 1.700 20 0 EDADMP COC(=O)[C@]1(O)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000880566206 597965476 /nfs/dbraw/zinc/96/54/76/597965476.db2.gz WOCDFGMYZVLKAR-IBGZPJMESA-N 2 1 332.444 1.782 20 0 EDADMP COCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000884186041 598018564 /nfs/dbraw/zinc/01/85/64/598018564.db2.gz OPIJNPSBKVPGEF-CRAIPNDOSA-N 2 1 333.476 1.899 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884192646 598021888 /nfs/dbraw/zinc/02/18/88/598021888.db2.gz KPTWWAKDJZEFFA-SMDDNHRTSA-N 2 1 340.265 1.907 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884198085 598024809 /nfs/dbraw/zinc/02/48/09/598024809.db2.gz MRPZJDAZUVMNLA-QWHCGFSZSA-N 2 1 326.238 1.659 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884198085 598024802 /nfs/dbraw/zinc/02/48/02/598024802.db2.gz MRPZJDAZUVMNLA-QWHCGFSZSA-N 2 1 326.238 1.659 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)C1 ZINC000884213570 598031929 /nfs/dbraw/zinc/03/19/29/598031929.db2.gz FTUKSTFWODAWPT-ZBFHGGJFSA-N 2 1 331.416 1.140 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000884363269 598081986 /nfs/dbraw/zinc/08/19/86/598081986.db2.gz ZKBHIJNCKKREHH-IUCAKERBSA-N 2 1 344.278 1.969 20 0 EDADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000884400956 598093766 /nfs/dbraw/zinc/09/37/66/598093766.db2.gz ACRCDHLIFKPSKG-ZWKOTPCHSA-N 2 1 347.503 1.879 20 0 EDADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000884412161 598097756 /nfs/dbraw/zinc/09/77/56/598097756.db2.gz KCEDYBGUZZEBCJ-SJORKVTESA-N 2 1 338.540 1.623 20 0 EDADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000884412161 598097759 /nfs/dbraw/zinc/09/77/59/598097759.db2.gz KCEDYBGUZZEBCJ-SJORKVTESA-N 2 1 338.540 1.623 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc2c1CCOC2 ZINC000882955740 598115231 /nfs/dbraw/zinc/11/52/31/598115231.db2.gz RNTDBCHZDIRXLE-IBGZPJMESA-N 2 1 345.487 1.792 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc2c1CCOC2 ZINC000882955740 598115232 /nfs/dbraw/zinc/11/52/32/598115232.db2.gz RNTDBCHZDIRXLE-IBGZPJMESA-N 2 1 345.487 1.792 20 0 EDADMP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000884489111 598119072 /nfs/dbraw/zinc/11/90/72/598119072.db2.gz PRFVSQHWJKJEAC-INIZCTEOSA-N 2 1 346.475 1.011 20 0 EDADMP Cc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)nc1Cl ZINC000881309433 598123182 /nfs/dbraw/zinc/12/31/82/598123182.db2.gz UBKUOOQPQZWTFE-UHFFFAOYSA-N 2 1 334.855 1.649 20 0 EDADMP CC1CC[NH+](CCNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000914074335 695069180 /nfs/dbraw/zinc/06/91/80/695069180.db2.gz CQGKFHSUPGXCDT-JKSUJKDBSA-N 2 1 340.537 1.597 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC4CC4)[C@H]3C2)no1 ZINC000992738139 695259963 /nfs/dbraw/zinc/25/99/63/695259963.db2.gz HUCSDKBXEQRNKV-XIRDDKMYSA-N 2 1 346.475 1.977 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)NC2C[NH+](CC3CC4(CCC4)C3)C2)cn1 ZINC001031083769 695491417 /nfs/dbraw/zinc/49/14/17/695491417.db2.gz RSYLDRWALUPNSA-UHFFFAOYSA-N 2 1 345.491 1.439 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000915723455 695978210 /nfs/dbraw/zinc/97/82/10/695978210.db2.gz BFLQJAZICQMWMB-CVEARBPZSA-N 2 1 331.526 1.512 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000915723455 695978211 /nfs/dbraw/zinc/97/82/11/695978211.db2.gz BFLQJAZICQMWMB-CVEARBPZSA-N 2 1 331.526 1.512 20 0 EDADMP CO[C@@H](CN1CC(NC(=O)c2cnccc2N(C)C)C1)C1CCC1 ZINC001031267566 696081812 /nfs/dbraw/zinc/08/18/12/696081812.db2.gz LZTWQBNUDQGTCY-KRWDZBQOSA-N 2 1 332.448 1.377 20 0 EDADMP C[C@H]1[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CCC[N@H+]1CCO ZINC000993628548 696292033 /nfs/dbraw/zinc/29/20/33/696292033.db2.gz HSCHUBDQZQRUGK-YJBOKZPZSA-N 2 1 333.476 1.366 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CCC[N@H+]1CCCO ZINC000993987055 696482777 /nfs/dbraw/zinc/48/27/77/696482777.db2.gz LLJLUFRLTZDGBN-CRAIPNDOSA-N 2 1 333.476 1.713 20 0 EDADMP Cc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000940024319 700122609 /nfs/dbraw/zinc/12/26/09/700122609.db2.gz FUESOBUGNPAMGJ-GOSISDBHSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000940024319 700122610 /nfs/dbraw/zinc/12/26/10/700122610.db2.gz FUESOBUGNPAMGJ-GOSISDBHSA-N 2 1 345.487 1.796 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccsc3)CC2)C1 ZINC000940028209 700126611 /nfs/dbraw/zinc/12/66/11/700126611.db2.gz NGMYZAJDIQBOHX-OAHLLOKOSA-N 2 1 337.489 1.549 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccsc3)CC2)C1 ZINC000940028209 700126612 /nfs/dbraw/zinc/12/66/12/700126612.db2.gz NGMYZAJDIQBOHX-OAHLLOKOSA-N 2 1 337.489 1.549 20 0 EDADMP C[N@H+]1CCCC[C@@H](CNS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000918009483 697119767 /nfs/dbraw/zinc/11/97/67/697119767.db2.gz FRXDVJZKIIDJMB-HOTGVXAUSA-N 2 1 329.510 1.124 20 0 EDADMP C[NH+]1CCCC[C@@H](CNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000918009483 697119769 /nfs/dbraw/zinc/11/97/69/697119769.db2.gz FRXDVJZKIIDJMB-HOTGVXAUSA-N 2 1 329.510 1.124 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1C ZINC001031584870 697280342 /nfs/dbraw/zinc/28/03/42/697280342.db2.gz KVUCFFBDOFSMFG-KRWDZBQOSA-N 2 1 331.460 1.646 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCc2c(F)cccc2F)C1 ZINC001031585116 697280868 /nfs/dbraw/zinc/28/08/68/697280868.db2.gz PQLOIEAWDKLVHM-QGZVFWFLSA-N 2 1 337.414 1.650 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCc2c(F)cccc2F)C1 ZINC001031585116 697280869 /nfs/dbraw/zinc/28/08/69/697280869.db2.gz PQLOIEAWDKLVHM-QGZVFWFLSA-N 2 1 337.414 1.650 20 0 EDADMP Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031595367 697293425 /nfs/dbraw/zinc/29/34/25/697293425.db2.gz VNSYDNIQQLJNAV-CRAIPNDOSA-N 2 1 331.460 1.435 20 0 EDADMP Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031595367 697293426 /nfs/dbraw/zinc/29/34/26/697293426.db2.gz VNSYDNIQQLJNAV-CRAIPNDOSA-N 2 1 331.460 1.435 20 0 EDADMP CCc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001031596739 697297390 /nfs/dbraw/zinc/29/73/90/697297390.db2.gz ONKOOIQNTWCQKM-GOSISDBHSA-N 2 1 331.460 1.128 20 0 EDADMP CCc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001031596739 697297391 /nfs/dbraw/zinc/29/73/91/697297391.db2.gz ONKOOIQNTWCQKM-GOSISDBHSA-N 2 1 331.460 1.128 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000919627073 697307340 /nfs/dbraw/zinc/30/73/40/697307340.db2.gz FDOOETZAYUGQBK-BZUAXINKSA-N 2 1 338.521 1.350 20 0 EDADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000919627073 697307342 /nfs/dbraw/zinc/30/73/42/697307342.db2.gz FDOOETZAYUGQBK-BZUAXINKSA-N 2 1 338.521 1.350 20 0 EDADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000919627073 697307345 /nfs/dbraw/zinc/30/73/45/697307345.db2.gz FDOOETZAYUGQBK-BZUAXINKSA-N 2 1 338.521 1.350 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000920260489 697413026 /nfs/dbraw/zinc/41/30/26/697413026.db2.gz ISSIYFHPCOTFEZ-UHFFFAOYSA-N 2 1 330.436 1.932 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031668514 697461269 /nfs/dbraw/zinc/46/12/69/697461269.db2.gz ICGWGQNLVMLCFX-QZTJIDSGSA-N 2 1 328.460 1.504 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031668514 697461270 /nfs/dbraw/zinc/46/12/70/697461270.db2.gz ICGWGQNLVMLCFX-QZTJIDSGSA-N 2 1 328.460 1.504 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000921186016 697526460 /nfs/dbraw/zinc/52/64/60/697526460.db2.gz PHNPXDXQAPQKKA-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000921186016 697526462 /nfs/dbraw/zinc/52/64/62/697526462.db2.gz PHNPXDXQAPQKKA-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921186016 697526464 /nfs/dbraw/zinc/52/64/64/697526464.db2.gz PHNPXDXQAPQKKA-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc(C)ncn2)C1 ZINC000995034374 700163306 /nfs/dbraw/zinc/16/33/06/700163306.db2.gz DUDRRLXRTWVQRY-HZPDHXFCSA-N 2 1 342.447 1.365 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729275 698049076 /nfs/dbraw/zinc/04/90/76/698049076.db2.gz JBJOHAJZEKBPQH-SFHVURJKSA-N 2 1 344.503 1.916 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031729275 698049080 /nfs/dbraw/zinc/04/90/80/698049080.db2.gz JBJOHAJZEKBPQH-SFHVURJKSA-N 2 1 344.503 1.916 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2CN([C@@H](C)c3cnccn3)C2)C1 ZINC001031729382 698052322 /nfs/dbraw/zinc/05/23/22/698052322.db2.gz MBMNWFDYJNVNRU-DOTOQJQBSA-N 2 1 345.491 1.564 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729994 698064079 /nfs/dbraw/zinc/06/40/79/698064079.db2.gz YHQBBJKTMZDRMU-INIZCTEOSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031729994 698064084 /nfs/dbraw/zinc/06/40/84/698064084.db2.gz YHQBBJKTMZDRMU-INIZCTEOSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031728924 698074179 /nfs/dbraw/zinc/07/41/79/698074179.db2.gz DAIJHXGYIXBBGN-IBGZPJMESA-N 2 1 344.503 1.916 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031728924 698074182 /nfs/dbraw/zinc/07/41/82/698074182.db2.gz DAIJHXGYIXBBGN-IBGZPJMESA-N 2 1 344.503 1.916 20 0 EDADMP O=C(NCC1C[NH+](CC[C@@H]2CCCCO2)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001031731720 698087638 /nfs/dbraw/zinc/08/76/38/698087638.db2.gz JKEZCHDIZQNULS-DLBZAZTESA-N 2 1 346.475 1.768 20 0 EDADMP Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765250 699050930 /nfs/dbraw/zinc/05/09/30/699050930.db2.gz DOFFEEUBTRJHOH-CRAIPNDOSA-N 2 1 331.460 1.262 20 0 EDADMP Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765250 699050933 /nfs/dbraw/zinc/05/09/33/699050933.db2.gz DOFFEEUBTRJHOH-CRAIPNDOSA-N 2 1 331.460 1.262 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccn2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001031767259 699071187 /nfs/dbraw/zinc/07/11/87/699071187.db2.gz URMSVUZXAULKTP-ROUUACIJSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccn2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001031767259 699071189 /nfs/dbraw/zinc/07/11/89/699071189.db2.gz URMSVUZXAULKTP-ROUUACIJSA-N 2 1 328.460 1.647 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(CCOc2ccccc2F)C1 ZINC001031772356 699098110 /nfs/dbraw/zinc/09/81/10/699098110.db2.gz RKTIYGOYGTWKRQ-QGZVFWFLSA-N 2 1 349.450 1.737 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2F)C1 ZINC001031772356 699098112 /nfs/dbraw/zinc/09/81/12/699098112.db2.gz RKTIYGOYGTWKRQ-QGZVFWFLSA-N 2 1 349.450 1.737 20 0 EDADMP CCOc1cccc(CN2CC(CNC(=O)[C@@H]3CCCCN3C)C2)n1 ZINC001031777059 699161158 /nfs/dbraw/zinc/16/11/58/699161158.db2.gz VFMNBDHRSDSOFP-KRWDZBQOSA-N 2 1 346.475 1.513 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccns1 ZINC000939138258 699217652 /nfs/dbraw/zinc/21/76/52/699217652.db2.gz VEAANBDRQPGVDI-DZGCQCFKSA-N 2 1 336.505 1.812 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCc2cnn(C)c2)C1 ZINC001031806852 699415067 /nfs/dbraw/zinc/41/50/67/699415067.db2.gz RCRDSHHCYYTPNG-GOSISDBHSA-N 2 1 347.507 1.131 20 0 EDADMP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC000939319723 699498163 /nfs/dbraw/zinc/49/81/63/699498163.db2.gz LUVNTNSTOZGPQF-CRAIPNDOSA-N 2 1 346.475 1.049 20 0 EDADMP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC000939320155 699498539 /nfs/dbraw/zinc/49/85/39/699498539.db2.gz QPPLTGGGINQOKZ-SJLPKXTDSA-N 2 1 346.475 1.049 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C)nc2C)C1 ZINC000939748787 699895882 /nfs/dbraw/zinc/89/58/82/699895882.db2.gz RCSUTAUFDBODOX-ACJLOTCBSA-N 2 1 341.459 1.840 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncccc2C)C1 ZINC000939750281 699897233 /nfs/dbraw/zinc/89/72/33/699897233.db2.gz YOYJSMNPLFXIOP-RHSMWYFYSA-N 2 1 327.432 1.532 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ncccc2C)[C@@H](C)C1 ZINC000939750305 699897852 /nfs/dbraw/zinc/89/78/52/699897852.db2.gz YOYJSMNPLFXIOP-YOEHRIQHSA-N 2 1 327.432 1.532 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000353633703 699951201 /nfs/dbraw/zinc/95/12/01/699951201.db2.gz WZLMSERSGDUVSR-RTBURBONSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000353633703 699951203 /nfs/dbraw/zinc/95/12/03/699951203.db2.gz WZLMSERSGDUVSR-RTBURBONSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000353633703 699951205 /nfs/dbraw/zinc/95/12/05/699951205.db2.gz WZLMSERSGDUVSR-RTBURBONSA-N 2 1 345.487 1.876 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939811485 699959524 /nfs/dbraw/zinc/95/95/24/699959524.db2.gz TYBZTDBNUGNUIN-PBHICJAKSA-N 2 1 334.464 1.796 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3cnon3)CC2)C1 ZINC000940147904 700279880 /nfs/dbraw/zinc/27/98/80/700279880.db2.gz JDNHBYODAARISP-HNNXBMFYSA-N 2 1 349.479 1.518 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C)([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1)C1CCC1 ZINC000940154456 700284585 /nfs/dbraw/zinc/28/45/85/700284585.db2.gz YDYHHXFFFLEBQR-OXJNMPFZSA-N 2 1 349.519 1.868 20 0 EDADMP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000940327952 700505173 /nfs/dbraw/zinc/50/51/73/700505173.db2.gz ARFJBPRBMIXKPJ-NVXWUHKLSA-N 2 1 347.507 1.571 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000940328974 700507974 /nfs/dbraw/zinc/50/79/74/700507974.db2.gz PDXPIVFHCGMMDJ-OCCSQVGLSA-N 2 1 335.452 1.046 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940329632 700508978 /nfs/dbraw/zinc/50/89/78/700508978.db2.gz WDQXNVQHRRZMSM-HUUCEWRRSA-N 2 1 331.464 1.145 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cccnc2)CC1 ZINC000940329706 700509714 /nfs/dbraw/zinc/50/97/14/700509714.db2.gz XPQFXQPIJMODSF-RDJZCZTQSA-N 2 1 330.476 1.750 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]Cc3ncccn3)CC2)C1 ZINC000940426274 700620002 /nfs/dbraw/zinc/62/00/02/700620002.db2.gz MTBTZMQOVUNOHJ-HNNXBMFYSA-N 2 1 331.464 1.289 20 0 EDADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C)[NH+]1CCCCC1 ZINC000940746855 700872911 /nfs/dbraw/zinc/87/29/11/700872911.db2.gz CIHZAVCNXHZMQP-INIZCTEOSA-N 2 1 339.524 1.850 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cnon3)C2)C1 ZINC000995102062 700898884 /nfs/dbraw/zinc/89/88/84/700898884.db2.gz GQXAXIVMGSZCSH-KBPBESRZSA-N 2 1 335.452 1.176 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCCO)CC1(C)C ZINC000940800919 700906522 /nfs/dbraw/zinc/90/65/22/700906522.db2.gz KCTVYZSWDLIMTQ-IRXDYDNUSA-N 2 1 339.524 1.848 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940800919 700906523 /nfs/dbraw/zinc/90/65/23/700906523.db2.gz KCTVYZSWDLIMTQ-IRXDYDNUSA-N 2 1 339.524 1.848 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940800919 700906524 /nfs/dbraw/zinc/90/65/24/700906524.db2.gz KCTVYZSWDLIMTQ-IRXDYDNUSA-N 2 1 339.524 1.848 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CCC3CC3)CC2(C)C)O1 ZINC000940832014 700931529 /nfs/dbraw/zinc/93/15/29/700931529.db2.gz UJMYKOUJDCWVLB-OIISXLGYSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CCC3CC3)CC2(C)C)O1 ZINC000940832014 700931530 /nfs/dbraw/zinc/93/15/30/700931530.db2.gz UJMYKOUJDCWVLB-OIISXLGYSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](CCC3CC3)CC2(C)C)O1 ZINC000940832014 700931531 /nfs/dbraw/zinc/93/15/31/700931531.db2.gz UJMYKOUJDCWVLB-OIISXLGYSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](CCC3CC3)CC2(C)C)O1 ZINC000940832014 700931532 /nfs/dbraw/zinc/93/15/32/700931532.db2.gz UJMYKOUJDCWVLB-OIISXLGYSA-N 2 1 337.508 1.722 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CCn3cccn3)C2)C1 ZINC001031918198 701029982 /nfs/dbraw/zinc/02/99/82/701029982.db2.gz AHNWYQLONHSRPO-QGZVFWFLSA-N 2 1 333.480 1.053 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](CCc3ccnn3C)C2)C1 ZINC001031919042 701041060 /nfs/dbraw/zinc/04/10/60/701041060.db2.gz LKUFFKYMIHSKFG-KRWDZBQOSA-N 2 1 347.507 1.133 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C)[NH+]1CCCCCC1 ZINC000941074341 701101264 /nfs/dbraw/zinc/10/12/64/701101264.db2.gz BQSVSRQIONGABI-IRXDYDNUSA-N 2 1 339.524 1.850 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCO)CC1(C)C ZINC000941076288 701103863 /nfs/dbraw/zinc/10/38/63/701103863.db2.gz VPUZEMVBQWVZCU-IRXDYDNUSA-N 2 1 339.524 1.848 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941076288 701103865 /nfs/dbraw/zinc/10/38/65/701103865.db2.gz VPUZEMVBQWVZCU-IRXDYDNUSA-N 2 1 339.524 1.848 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941076288 701103866 /nfs/dbraw/zinc/10/38/66/701103866.db2.gz VPUZEMVBQWVZCU-IRXDYDNUSA-N 2 1 339.524 1.848 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3ccnc3)[C@@H](C)C2)c(C)n1 ZINC000945806304 701195940 /nfs/dbraw/zinc/19/59/40/701195940.db2.gz BWMURLRHIXRYFJ-KSSFIOAISA-N 2 1 341.459 1.922 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC000999169539 706597889 /nfs/dbraw/zinc/59/78/89/706597889.db2.gz KTLOSLBVVUJBLQ-HOTGVXAUSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941216960 701403106 /nfs/dbraw/zinc/40/31/06/701403106.db2.gz IOAMSERSCUZXHM-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216960 701403107 /nfs/dbraw/zinc/40/31/07/701403107.db2.gz IOAMSERSCUZXHM-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216960 701403108 /nfs/dbraw/zinc/40/31/08/701403108.db2.gz IOAMSERSCUZXHM-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941217145 701403498 /nfs/dbraw/zinc/40/34/98/701403498.db2.gz KDWQSKFIHYFSJG-NVXWUHKLSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217145 701403500 /nfs/dbraw/zinc/40/35/00/701403500.db2.gz KDWQSKFIHYFSJG-NVXWUHKLSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217145 701403502 /nfs/dbraw/zinc/40/35/02/701403502.db2.gz KDWQSKFIHYFSJG-NVXWUHKLSA-N 2 1 345.491 1.453 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941217393 701403861 /nfs/dbraw/zinc/40/38/61/701403861.db2.gz NPRUYWZPUWJREM-JKSUJKDBSA-N 2 1 333.480 1.052 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941217393 701403862 /nfs/dbraw/zinc/40/38/62/701403862.db2.gz NPRUYWZPUWJREM-JKSUJKDBSA-N 2 1 333.480 1.052 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941217393 701403863 /nfs/dbraw/zinc/40/38/63/701403863.db2.gz NPRUYWZPUWJREM-JKSUJKDBSA-N 2 1 333.480 1.052 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCC3)CC2(C)C)C1 ZINC000941231298 701405050 /nfs/dbraw/zinc/40/50/50/701405050.db2.gz PUAZXKXTYHJKIL-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCC3)CC2(C)C)C1 ZINC000941231298 701405052 /nfs/dbraw/zinc/40/50/52/701405052.db2.gz PUAZXKXTYHJKIL-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCC3)CC2(C)C)C1 ZINC000941231298 701405053 /nfs/dbraw/zinc/40/50/53/701405053.db2.gz PUAZXKXTYHJKIL-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCC3)CC2(C)C)C1 ZINC000941231298 701405055 /nfs/dbraw/zinc/40/50/55/701405055.db2.gz PUAZXKXTYHJKIL-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC[C@@H]3C2)n1 ZINC000946518543 706604485 /nfs/dbraw/zinc/60/44/85/706604485.db2.gz WHOZBRVIOKGUEW-JZXOWHBKSA-N 2 1 345.491 1.185 20 0 EDADMP Cn1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC[C@@H]3C2)n1 ZINC000946518543 706604487 /nfs/dbraw/zinc/60/44/87/706604487.db2.gz WHOZBRVIOKGUEW-JZXOWHBKSA-N 2 1 345.491 1.185 20 0 EDADMP Cn1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC[C@@H]3C2)n1 ZINC000946518543 706604488 /nfs/dbraw/zinc/60/44/88/706604488.db2.gz WHOZBRVIOKGUEW-JZXOWHBKSA-N 2 1 345.491 1.185 20 0 EDADMP C[C@H](F)CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000941461070 701544386 /nfs/dbraw/zinc/54/43/86/701544386.db2.gz XNIRZTUJNCILQL-DOTOQJQBSA-N 2 1 340.487 1.047 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cc(C)ccc3C)C2)C1 ZINC001032200415 701844504 /nfs/dbraw/zinc/84/45/04/701844504.db2.gz UFQQYFJSQVSDBB-LJQANCHMSA-N 2 1 345.487 1.572 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cc(C)ccc3C)C2)C1 ZINC001032200415 701844509 /nfs/dbraw/zinc/84/45/09/701844509.db2.gz UFQQYFJSQVSDBB-LJQANCHMSA-N 2 1 345.487 1.572 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944047398 702015051 /nfs/dbraw/zinc/01/50/51/702015051.db2.gz RNMYJINADKXWPK-MAUKXSAKSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1nc[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2ocnc2C)C[C@H]1C ZINC000944441863 702021893 /nfs/dbraw/zinc/02/18/93/702021893.db2.gz BBRANXJFESXUBC-RISCZKNCSA-N 2 1 331.420 1.584 20 0 EDADMP Cc1nc[nH]c1CC(=O)N[C@H]1CCN(Cc2ocnc2C)C[C@H]1C ZINC000944441863 702021901 /nfs/dbraw/zinc/02/19/01/702021901.db2.gz BBRANXJFESXUBC-RISCZKNCSA-N 2 1 331.420 1.584 20 0 EDADMP Cc1nc(C(C)C)oc1CN1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031979097 702043141 /nfs/dbraw/zinc/04/31/41/702043141.db2.gz YYVOMYBHUPUTRK-CJNGLKHVSA-N 2 1 348.491 1.852 20 0 EDADMP Cc1nc(C(C)C)oc1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031979097 702043146 /nfs/dbraw/zinc/04/31/46/702043146.db2.gz YYVOMYBHUPUTRK-CJNGLKHVSA-N 2 1 348.491 1.852 20 0 EDADMP Cc1nc(C(C)C)oc1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031979097 702043151 /nfs/dbraw/zinc/04/31/51/702043151.db2.gz YYVOMYBHUPUTRK-CJNGLKHVSA-N 2 1 348.491 1.852 20 0 EDADMP O=C(NCC1C[NH+](CCC2CC2)C1)c1cc(C[NH+]2CCCC2)on1 ZINC001031978554 702095179 /nfs/dbraw/zinc/09/51/79/702095179.db2.gz GUQMDPCRNBCXMH-UHFFFAOYSA-N 2 1 332.448 1.732 20 0 EDADMP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)c1 ZINC001031978764 702106140 /nfs/dbraw/zinc/10/61/40/702106140.db2.gz WNJNECVTVVSPEV-RDTXWAMCSA-N 2 1 331.460 1.441 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC3CCOCC3)C2)CC[N@H+]1C ZINC000999199525 706643209 /nfs/dbraw/zinc/64/32/09/706643209.db2.gz HMHXZSVWBAEYDO-OKZBNKHCSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000995890398 702231818 /nfs/dbraw/zinc/23/18/18/702231818.db2.gz ATFRRPMUGRXSMH-DLBZAZTESA-N 2 1 347.507 1.440 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@H]([NH2+]Cc2ccns2)C(C)(C)C1)C1CCC1 ZINC000995920148 702240501 /nfs/dbraw/zinc/24/05/01/702240501.db2.gz SVSOZODFGQWHFI-HNNXBMFYSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2(C)C)[nH]1 ZINC000995913331 702272084 /nfs/dbraw/zinc/27/20/84/702272084.db2.gz IIWFVQGFTXWIAY-GJZGRUSLSA-N 2 1 348.495 1.314 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2(C)C)[nH]1 ZINC000995913331 702272090 /nfs/dbraw/zinc/27/20/90/702272090.db2.gz IIWFVQGFTXWIAY-GJZGRUSLSA-N 2 1 348.495 1.314 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)on1 ZINC000995984927 702345482 /nfs/dbraw/zinc/34/54/82/702345482.db2.gz VZBUURYUPPNNCA-JKSUJKDBSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nocc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995193662 702369874 /nfs/dbraw/zinc/36/98/74/702369874.db2.gz FCIYQIXBURITBI-HOCLYGCPSA-N 2 1 331.420 1.563 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996002493 702382576 /nfs/dbraw/zinc/38/25/76/702382576.db2.gz IZBHJFCXEZSPTO-HZPDHXFCSA-N 2 1 349.479 1.517 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996002493 702382581 /nfs/dbraw/zinc/38/25/81/702382581.db2.gz IZBHJFCXEZSPTO-HZPDHXFCSA-N 2 1 349.479 1.517 20 0 EDADMP CCn1ccc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)n1 ZINC000944169694 702411853 /nfs/dbraw/zinc/41/18/53/702411853.db2.gz PSLMPXQRUUMNRC-RDJZCZTQSA-N 2 1 345.491 1.325 20 0 EDADMP CCn1ccc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)n1 ZINC000944169694 702411854 /nfs/dbraw/zinc/41/18/54/702411854.db2.gz PSLMPXQRUUMNRC-RDJZCZTQSA-N 2 1 345.491 1.325 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cncs2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170838 702414775 /nfs/dbraw/zinc/41/47/75/702414775.db2.gz VNHYRGINDVXPIA-HIFRSBDPSA-N 2 1 334.489 1.566 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnoc2C)C1 ZINC000995205859 702645246 /nfs/dbraw/zinc/64/52/46/702645246.db2.gz CPVPAAVSDQQXNO-GOEBONIOSA-N 2 1 331.420 1.563 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996293100 702685417 /nfs/dbraw/zinc/68/54/17/702685417.db2.gz BICJPBYRPGRSQG-HOTGVXAUSA-N 2 1 333.480 1.194 20 0 EDADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996293195 702685632 /nfs/dbraw/zinc/68/56/32/702685632.db2.gz BPLGOSHQZUILSK-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)cn1 ZINC000996300103 702690974 /nfs/dbraw/zinc/69/09/74/702690974.db2.gz JYVMZJZJKQIRIE-YOEHRIQHSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996300282 702691758 /nfs/dbraw/zinc/69/17/58/702691758.db2.gz LEWSBTGWKJQOPQ-ZBFHGGJFSA-N 2 1 333.480 1.231 20 0 EDADMP CCc1noc(CN[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)n1 ZINC000996301174 702693022 /nfs/dbraw/zinc/69/30/22/702693022.db2.gz RCRDMUOIPDDENR-UONOGXRCSA-N 2 1 349.479 1.443 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996302231 702694417 /nfs/dbraw/zinc/69/44/17/702694417.db2.gz XGTITCQZNDOWJJ-DOTOQJQBSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)c(C)o1 ZINC000996302797 702695181 /nfs/dbraw/zinc/69/51/81/702695181.db2.gz ZHKKXDVBKHKMNL-DYVFJYSZSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)c(C)o1 ZINC000996302797 702695183 /nfs/dbraw/zinc/69/51/83/702695183.db2.gz ZHKKXDVBKHKMNL-DYVFJYSZSA-N 2 1 348.491 1.960 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996464644 702792221 /nfs/dbraw/zinc/79/22/21/702792221.db2.gz OHEBOMJVDCRIFO-SJLPKXTDSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000996465538 702792894 /nfs/dbraw/zinc/79/28/94/702792894.db2.gz UUMUXACOSZNTAI-KRWDZBQOSA-N 2 1 333.480 1.374 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)o1 ZINC000996479609 702811310 /nfs/dbraw/zinc/81/13/10/702811310.db2.gz ZQOWSSLYTWGKHJ-WBVHZDCISA-N 2 1 346.475 1.938 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)o1 ZINC000996501083 702839984 /nfs/dbraw/zinc/83/99/84/702839984.db2.gz JXMBSCFUSDWQLI-DOTOQJQBSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518599 702854056 /nfs/dbraw/zinc/85/40/56/702854056.db2.gz LXLGVSYJCFZKAA-DOTOQJQBSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000996606482 702909660 /nfs/dbraw/zinc/90/96/60/702909660.db2.gz JJVBSZVVKWKZHS-RHSMWYFYSA-N 2 1 333.480 1.149 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)nn1C ZINC000996608767 702911955 /nfs/dbraw/zinc/91/19/55/702911955.db2.gz HNOYBKQBCPYNRG-GOEBONIOSA-N 2 1 333.480 1.007 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000996608662 702912182 /nfs/dbraw/zinc/91/21/82/702912182.db2.gz SWXFJETWJMMVHA-IIAWOOMASA-N 2 1 334.464 1.965 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000996605173 702914419 /nfs/dbraw/zinc/91/44/19/702914419.db2.gz BLZVUWZYNIWGGQ-GZBFAFLISA-N 2 1 348.495 1.349 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996614392 702919843 /nfs/dbraw/zinc/91/98/43/702919843.db2.gz NAQHNWWQXIGAQI-HOCLYGCPSA-N 2 1 334.464 1.570 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]Cc2ncccc2C)C(C)(C)C1 ZINC000996623747 702921417 /nfs/dbraw/zinc/92/14/17/702921417.db2.gz NZGZBQBXEIWPQM-QGZVFWFLSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cccnc2C)C(C)(C)C1 ZINC000996623962 702921864 /nfs/dbraw/zinc/92/18/64/702921864.db2.gz OPYSLNFVYHGFBW-KRWDZBQOSA-N 2 1 341.459 1.922 20 0 EDADMP O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000996617327 702924091 /nfs/dbraw/zinc/92/40/91/702924091.db2.gz AIRKAXYVPPYBGC-ZWKOTPCHSA-N 2 1 344.459 1.025 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)CCc3cnc[nH]3)CC2)ccn1 ZINC000996653165 702942564 /nfs/dbraw/zinc/94/25/64/702942564.db2.gz ZGDORQDHJYMWQL-UHFFFAOYSA-N 2 1 343.431 1.527 20 0 EDADMP CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1ccon1 ZINC000996669542 702971437 /nfs/dbraw/zinc/97/14/37/702971437.db2.gz HADOJXJSHPBBCX-INIZCTEOSA-N 2 1 334.464 1.877 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996675247 702974417 /nfs/dbraw/zinc/97/44/17/702974417.db2.gz FRWRJPTYPQUIDO-GOSISDBHSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000996685860 702983584 /nfs/dbraw/zinc/98/35/84/702983584.db2.gz BDYZJPCQPUTEEP-INIZCTEOSA-N 2 1 334.464 1.938 20 0 EDADMP CCn1ncc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000996689275 702986646 /nfs/dbraw/zinc/98/66/46/702986646.db2.gz LAXKYQZCAQBSRX-QGZVFWFLSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ocnc2C)C[C@H]1C ZINC000942518176 703012393 /nfs/dbraw/zinc/01/23/93/703012393.db2.gz NPHZXFQPKAMMAZ-DOMZBBRYSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ocnc2C)C[C@H]1C ZINC000942518176 703012395 /nfs/dbraw/zinc/01/23/95/703012395.db2.gz NPHZXFQPKAMMAZ-DOMZBBRYSA-N 2 1 331.420 1.515 20 0 EDADMP Cn1nccc1CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000996726078 703021417 /nfs/dbraw/zinc/02/14/17/703021417.db2.gz WDNAZWQDIMLINN-KRWDZBQOSA-N 2 1 333.480 1.028 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996749134 703034638 /nfs/dbraw/zinc/03/46/38/703034638.db2.gz QLQXGZPKQFKDPO-KRWDZBQOSA-N 2 1 334.464 1.876 20 0 EDADMP CC1CC(C[NH2+]C2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC000996746697 703040601 /nfs/dbraw/zinc/04/06/01/703040601.db2.gz KANKXZRDKVCLMV-UHFFFAOYSA-N 2 1 334.464 1.977 20 0 EDADMP C[C@H]1C[N@@H+](CCc2cnn(C)c2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598176 703113467 /nfs/dbraw/zinc/11/34/67/703113467.db2.gz SLRMIWJEDBMMPV-YJBOKZPZSA-N 2 1 347.507 1.131 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032043608 703249987 /nfs/dbraw/zinc/24/99/87/703249987.db2.gz JUIMYIMYANMBTH-QZTJIDSGSA-N 2 1 345.491 1.293 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032043608 703249990 /nfs/dbraw/zinc/24/99/90/703249990.db2.gz JUIMYIMYANMBTH-QZTJIDSGSA-N 2 1 345.491 1.293 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)[nH]1 ZINC000997000311 703257343 /nfs/dbraw/zinc/25/73/43/703257343.db2.gz PBVMYKVEEIZOIO-CYBMUJFWSA-N 2 1 348.495 1.487 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC000997008957 703261181 /nfs/dbraw/zinc/26/11/81/703261181.db2.gz NJVGAYKOKMKRLU-YOEHRIQHSA-N 2 1 346.475 1.369 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000997004476 703261655 /nfs/dbraw/zinc/26/16/55/703261655.db2.gz DIMITHXGFRPULK-CYBMUJFWSA-N 2 1 334.464 1.714 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000997006419 703263428 /nfs/dbraw/zinc/26/34/28/703263428.db2.gz MAHQCHHFRUWISR-AWEZNQCLSA-N 2 1 334.439 1.643 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)s1 ZINC000997006188 703263546 /nfs/dbraw/zinc/26/35/46/703263546.db2.gz FFZCENCLJIVFJS-SMDDNHRTSA-N 2 1 337.493 1.125 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC000997007922 703265245 /nfs/dbraw/zinc/26/52/45/703265245.db2.gz RTNAKNAQSPWHKR-MRXNPFEDSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1nnsc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997013228 703272807 /nfs/dbraw/zinc/27/28/07/703272807.db2.gz ZDQIIAGKDNPYRX-SMDDNHRTSA-N 2 1 337.493 1.125 20 0 EDADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CCCOC2)CC1 ZINC001032699756 706736786 /nfs/dbraw/zinc/73/67/86/706736786.db2.gz WHGNRFPHSCTBFV-SQNIBIBYSA-N 2 1 335.492 1.430 20 0 EDADMP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000997086717 703332248 /nfs/dbraw/zinc/33/22/48/703332248.db2.gz AOPKTGIWIVQZTJ-HOTGVXAUSA-N 2 1 349.504 1.636 20 0 EDADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000997086717 703332251 /nfs/dbraw/zinc/33/22/51/703332251.db2.gz AOPKTGIWIVQZTJ-HOTGVXAUSA-N 2 1 349.504 1.636 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000997094826 703333773 /nfs/dbraw/zinc/33/37/73/703333773.db2.gz SVKCJVFODSLSGR-UHFFFAOYSA-N 2 1 345.434 1.335 20 0 EDADMP Cc1nn(C)c(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1Cl ZINC000921521183 703350417 /nfs/dbraw/zinc/35/04/17/703350417.db2.gz LQSXTIKXSGIKQZ-CQSZACIVSA-N 2 1 327.904 1.744 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H](C)C2CC[NH+](CCO)CC2)C1 ZINC000997133284 703393217 /nfs/dbraw/zinc/39/32/17/703393217.db2.gz WKLWLFRWCYJDDX-WBVHZDCISA-N 2 1 325.497 1.173 20 0 EDADMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032407401 703432880 /nfs/dbraw/zinc/43/28/80/703432880.db2.gz CUBWXNZWDBBMQG-BQFCYCMXSA-N 2 1 333.476 1.182 20 0 EDADMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032407401 703432881 /nfs/dbraw/zinc/43/28/81/703432881.db2.gz CUBWXNZWDBBMQG-BQFCYCMXSA-N 2 1 333.476 1.182 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997180158 703470600 /nfs/dbraw/zinc/47/06/00/703470600.db2.gz FWUXTRWVFLWSDQ-CRAIPNDOSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CC[NH+](CCCF)CC1 ZINC000997185551 703474706 /nfs/dbraw/zinc/47/47/06/703474706.db2.gz HEZVNAMHXQMARO-CYBMUJFWSA-N 2 1 340.443 1.926 20 0 EDADMP C[C@@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032702939 706752091 /nfs/dbraw/zinc/75/20/91/706752091.db2.gz FGLWORSPMIRURJ-COXVUDFISA-N 2 1 343.406 1.914 20 0 EDADMP C[C@@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032702939 706752094 /nfs/dbraw/zinc/75/20/94/706752094.db2.gz FGLWORSPMIRURJ-COXVUDFISA-N 2 1 343.406 1.914 20 0 EDADMP CC(C)c1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997299898 703557255 /nfs/dbraw/zinc/55/72/55/703557255.db2.gz QZDYTIWTVKHALQ-KGLIPLIRSA-N 2 1 349.479 1.786 20 0 EDADMP CC(C)c1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997299898 703557257 /nfs/dbraw/zinc/55/72/57/703557257.db2.gz QZDYTIWTVKHALQ-KGLIPLIRSA-N 2 1 349.479 1.786 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2nccnc2C)CC1 ZINC000997311180 703567666 /nfs/dbraw/zinc/56/76/66/703567666.db2.gz XLTFKNZJKHGTHC-UHFFFAOYSA-N 2 1 328.420 1.071 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000997361617 703595759 /nfs/dbraw/zinc/59/57/59/703595759.db2.gz WZCRHAWTVGPKLF-IYBDPMFKSA-N 2 1 345.491 1.738 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000997366659 703600586 /nfs/dbraw/zinc/60/05/86/703600586.db2.gz IPYAZDYRIISBOY-XJKSGUPXSA-N 2 1 348.495 1.629 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C2CC[NH+](CCC3CC3)CC2)C1 ZINC000997433356 703664397 /nfs/dbraw/zinc/66/43/97/703664397.db2.gz FJBQUGKLHMUQLU-QAPCUYQASA-N 2 1 337.508 1.724 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C2CC[NH+](CCC3CC3)CC2)C1 ZINC000997433356 703664399 /nfs/dbraw/zinc/66/43/99/703664399.db2.gz FJBQUGKLHMUQLU-QAPCUYQASA-N 2 1 337.508 1.724 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCOC)CC1 ZINC000997612721 703910036 /nfs/dbraw/zinc/91/00/36/703910036.db2.gz IHVOQNLWLUSTAZ-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997612688 703910196 /nfs/dbraw/zinc/91/01/96/703910196.db2.gz KFHJVXLKHRMTGU-MRXNPFEDSA-N 2 1 334.464 1.714 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cnnn2C)CC1 ZINC000997642936 703950733 /nfs/dbraw/zinc/95/07/33/703950733.db2.gz WOFLHZFQUWHHRS-YOEHRIQHSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cnnn2C)CC1 ZINC000997642936 703950736 /nfs/dbraw/zinc/95/07/36/703950736.db2.gz WOFLHZFQUWHHRS-YOEHRIQHSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3)C2)C1 ZINC000999294424 706791612 /nfs/dbraw/zinc/79/16/12/706791612.db2.gz SZXSSCWKRDCKTN-CTWPCTMYSA-N 2 1 345.487 1.875 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3)C2)C1 ZINC000999294424 706791614 /nfs/dbraw/zinc/79/16/14/706791614.db2.gz SZXSSCWKRDCKTN-CTWPCTMYSA-N 2 1 345.487 1.875 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001033080122 704145255 /nfs/dbraw/zinc/14/52/55/704145255.db2.gz CSMBZJAWSXZMDF-KGLIPLIRSA-N 2 1 333.398 1.813 20 0 EDADMP Cc1cnc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001033091793 704167096 /nfs/dbraw/zinc/16/70/96/704167096.db2.gz MYHJUCXYITYPJN-RBSFLKMASA-N 2 1 336.505 1.824 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ocnc2C)C1 ZINC000999306669 706811432 /nfs/dbraw/zinc/81/14/32/706811432.db2.gz LBNOSDDWLAZRJZ-HZPDHXFCSA-N 2 1 334.464 1.938 20 0 EDADMP O=C(NCc1ccc2c[nH+]cn2c1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000922834303 704399498 /nfs/dbraw/zinc/39/94/98/704399498.db2.gz JWVOUZIDULVHTK-CVEARBPZSA-N 2 1 345.472 1.713 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2nc(CC)no2)C1 ZINC000999310456 706813393 /nfs/dbraw/zinc/81/33/93/706813393.db2.gz YGVAJHHWMYYSBV-GJZGRUSLSA-N 2 1 349.479 1.587 20 0 EDADMP C[C@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)O1 ZINC000997830306 704749104 /nfs/dbraw/zinc/74/91/04/704749104.db2.gz HNLNCVYCFFLPIO-YJBOKZPZSA-N 2 1 337.508 1.866 20 0 EDADMP CCn1ccc(C[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000997830997 704751299 /nfs/dbraw/zinc/75/12/99/704751299.db2.gz NXYFUPXOOAQASP-UHFFFAOYSA-N 2 1 347.507 1.716 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997864551 704771409 /nfs/dbraw/zinc/77/14/09/704771409.db2.gz KNCMLRXFIALQJW-ROUUACIJSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997866560 704773106 /nfs/dbraw/zinc/77/31/06/704773106.db2.gz LDNFXCNITWJJCU-YOEHRIQHSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997890242 704791825 /nfs/dbraw/zinc/79/18/25/704791825.db2.gz HKVDEMDOXSMMOI-QGZVFWFLSA-N 2 1 349.479 1.518 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC000997913570 704974661 /nfs/dbraw/zinc/97/46/61/704974661.db2.gz BXANJSGDKBPMLA-AEFFLSMTSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000997914816 704977005 /nfs/dbraw/zinc/97/70/05/704977005.db2.gz KXNKZYOMTLFIDF-UHFFFAOYSA-N 2 1 333.461 1.676 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1 ZINC000998081578 705301886 /nfs/dbraw/zinc/30/18/86/705301886.db2.gz JXDBNXQURUVLSB-KBXCAEBGSA-N 2 1 348.466 1.747 20 0 EDADMP Cc1nonc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000998080481 705306006 /nfs/dbraw/zinc/30/60/06/705306006.db2.gz ASXYQHGMACPKFF-UHFFFAOYSA-N 2 1 349.479 1.438 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)[nH]1 ZINC000998083082 705312055 /nfs/dbraw/zinc/31/20/55/705312055.db2.gz UPEQUDBMXMOHKN-UONOGXRCSA-N 2 1 348.495 1.487 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000998083598 705312545 /nfs/dbraw/zinc/31/25/45/705312545.db2.gz WSKBSMJNUJLUKP-DOMZBBRYSA-N 2 1 337.493 1.064 20 0 EDADMP Cc1ccnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000998084084 705314135 /nfs/dbraw/zinc/31/41/35/705314135.db2.gz ZIQPVWNZRHLHIX-PBHICJAKSA-N 2 1 345.491 1.311 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1)C1CCC1 ZINC001032603124 705415383 /nfs/dbraw/zinc/41/53/83/705415383.db2.gz PWZMHGZMQLWSRN-BZSNNMDCSA-N 2 1 335.492 1.428 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC000998176777 705473186 /nfs/dbraw/zinc/47/31/86/705473186.db2.gz OBISMNUIJBQVDH-ZWKOTPCHSA-N 2 1 349.519 1.822 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]Cc3cscn3)CC2)C1 ZINC000998215505 705536462 /nfs/dbraw/zinc/53/64/62/705536462.db2.gz AMOJAZFKOMRTBG-OAHLLOKOSA-N 2 1 336.505 1.813 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000998217665 705540625 /nfs/dbraw/zinc/54/06/25/705540625.db2.gz PYHVOICVEGNMKF-CJNGLKHVSA-N 2 1 348.495 1.344 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1ncccn1 ZINC000998264718 705630631 /nfs/dbraw/zinc/63/06/31/705630631.db2.gz HHUHZYWDLBTFEF-ZBFHGGJFSA-N 2 1 331.464 1.318 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3cc4n(n3)CCC4)CC2)C1 ZINC000998265262 705632389 /nfs/dbraw/zinc/63/23/89/705632389.db2.gz KDUCBZPRCQRMFV-MRXNPFEDSA-N 2 1 345.491 1.109 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC000998266793 705635696 /nfs/dbraw/zinc/63/56/96/705635696.db2.gz REKQCTGDMIDJLI-HNNXBMFYSA-N 2 1 336.505 1.731 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000998266104 705637910 /nfs/dbraw/zinc/63/79/10/705637910.db2.gz OTHGCCCAMHGBHQ-SWLSCSKDSA-N 2 1 335.452 1.219 20 0 EDADMP CCc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000998267695 705638755 /nfs/dbraw/zinc/63/87/55/705638755.db2.gz ZDPXMPVWMYTANB-INIZCTEOSA-N 2 1 348.491 1.825 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@H]2CCOC2)C1 ZINC001032628742 705745865 /nfs/dbraw/zinc/74/58/65/705745865.db2.gz DTJLLOPUQPISIW-ULQDDVLXSA-N 2 1 335.492 1.430 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@H]2CCOC2)C1 ZINC001032628742 705745870 /nfs/dbraw/zinc/74/58/70/705745870.db2.gz DTJLLOPUQPISIW-ULQDDVLXSA-N 2 1 335.492 1.430 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@H]2CCOC2)C1 ZINC001032628742 705745874 /nfs/dbraw/zinc/74/58/74/705745874.db2.gz DTJLLOPUQPISIW-ULQDDVLXSA-N 2 1 335.492 1.430 20 0 EDADMP COCCC[NH+]1CCC([NH2+]Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000921654413 705836712 /nfs/dbraw/zinc/83/67/12/705836712.db2.gz IUGVPTNIEIWMMB-UHFFFAOYSA-N 2 1 333.476 1.979 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000998548337 705984104 /nfs/dbraw/zinc/98/41/04/705984104.db2.gz GNFBINXBXVMDGR-YMAMQOFZSA-N 2 1 336.867 1.908 20 0 EDADMP CCc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC000998780191 706221174 /nfs/dbraw/zinc/22/11/74/706221174.db2.gz KHKWOBAXAZAIQE-VMBOVVBDSA-N 2 1 346.475 1.658 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cccnc3)C2)CC[N@H+]1C ZINC000998792963 706239740 /nfs/dbraw/zinc/23/97/40/706239740.db2.gz GTHFCASQYMOJOU-ZGUYJTEBSA-N 2 1 330.476 1.891 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ocnc2C)C1 ZINC000998867308 706297197 /nfs/dbraw/zinc/29/71/97/706297197.db2.gz QVNSITQUWFPWEO-GPANFISMSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+][C@@H](C)c2cnc(C)cn2)C1 ZINC000999123229 706548258 /nfs/dbraw/zinc/54/82/58/706548258.db2.gz FHJHAASKKIMYSF-FHERZECASA-N 2 1 342.447 1.630 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000999144750 706558394 /nfs/dbraw/zinc/55/83/94/706558394.db2.gz NMDUWQSVOQKDCH-ZWKOTPCHSA-N 2 1 347.507 1.856 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000999144741 706558623 /nfs/dbraw/zinc/55/86/23/706558623.db2.gz NIWVFXNIMPMPOO-DOTOQJQBSA-N 2 1 333.480 1.374 20 0 EDADMP C[C@@H]([NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1)c1ncccn1 ZINC000999344069 706855647 /nfs/dbraw/zinc/85/56/47/706855647.db2.gz SUUSRNZSOWYXJF-IUDNXUCKSA-N 2 1 331.464 1.458 20 0 EDADMP Cn1cncc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999399517 706894403 /nfs/dbraw/zinc/89/44/03/706894403.db2.gz HVUAGAAFVOBBRY-CVEARBPZSA-N 2 1 333.480 1.375 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999406678 706915980 /nfs/dbraw/zinc/91/59/80/706915980.db2.gz PKXSMVYOLZFMLZ-QQFBHYJXSA-N 2 1 348.495 1.422 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3cc4n(n3)CCC4)C2)C1 ZINC000999406854 706916004 /nfs/dbraw/zinc/91/60/04/706916004.db2.gz AMFHTEBAUXVJAV-KSTDHSDQSA-N 2 1 345.491 1.250 20 0 EDADMP CCn1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC000999407870 706917681 /nfs/dbraw/zinc/91/76/81/706917681.db2.gz HONSJMQULCWLQA-IUDNXUCKSA-N 2 1 348.495 1.027 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3nc(C4CC4)no3)C2)C1 ZINC000999409209 706919306 /nfs/dbraw/zinc/91/93/06/706919306.db2.gz PKRNFPXVUIQGKA-LRVUVFPRSA-N 2 1 347.463 1.368 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3nc(C4CC4)no3)C2)C1 ZINC000999409209 706919308 /nfs/dbraw/zinc/91/93/08/706919308.db2.gz PKRNFPXVUIQGKA-LRVUVFPRSA-N 2 1 347.463 1.368 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000999506337 707003813 /nfs/dbraw/zinc/00/38/13/707003813.db2.gz ABGLDLPTCPFZSA-DOTOQJQBSA-N 2 1 348.495 1.424 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC000999506337 707003815 /nfs/dbraw/zinc/00/38/15/707003815.db2.gz ABGLDLPTCPFZSA-DOTOQJQBSA-N 2 1 348.495 1.424 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000999511995 707010608 /nfs/dbraw/zinc/01/06/08/707010608.db2.gz OOSAQYCBPQAFMO-DLBZAZTESA-N 2 1 346.475 1.655 20 0 EDADMP CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC000999515865 707014968 /nfs/dbraw/zinc/01/49/68/707014968.db2.gz ZOXTZVSLPPLFLV-ZWKOTPCHSA-N 2 1 347.507 1.510 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)[nH]1 ZINC000999489202 707025287 /nfs/dbraw/zinc/02/52/87/707025287.db2.gz IPHPGZKPPLLLBH-HNNXBMFYSA-N 2 1 346.479 1.070 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000999686877 707239677 /nfs/dbraw/zinc/23/96/77/707239677.db2.gz AVQDIWKBWVQIIU-FHERZECASA-N 2 1 331.464 1.206 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000999686877 707239681 /nfs/dbraw/zinc/23/96/81/707239681.db2.gz AVQDIWKBWVQIIU-FHERZECASA-N 2 1 331.464 1.206 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CCCF)C[C@H]3CC2)C1 ZINC000946779787 707246727 /nfs/dbraw/zinc/24/67/27/707246727.db2.gz SWQBQNMQKKNCAP-YESZJQIVSA-N 2 1 325.472 1.858 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCCF)C[C@H]3CC2)C1 ZINC000946779787 707246730 /nfs/dbraw/zinc/24/67/30/707246730.db2.gz SWQBQNMQKKNCAP-YESZJQIVSA-N 2 1 325.472 1.858 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCCF)C[C@H]3CC2)C1 ZINC000946779787 707246733 /nfs/dbraw/zinc/24/67/33/707246733.db2.gz SWQBQNMQKKNCAP-YESZJQIVSA-N 2 1 325.472 1.858 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033276666 707340830 /nfs/dbraw/zinc/34/08/30/707340830.db2.gz DTBOSQHPSGHTRS-RXCRORICSA-N 2 1 349.519 1.819 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033276666 707340836 /nfs/dbraw/zinc/34/08/36/707340836.db2.gz DTBOSQHPSGHTRS-RXCRORICSA-N 2 1 349.519 1.819 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033276666 707340838 /nfs/dbraw/zinc/34/08/38/707340838.db2.gz DTBOSQHPSGHTRS-RXCRORICSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCCCC3)C2)O1 ZINC001033186740 707381524 /nfs/dbraw/zinc/38/15/24/707381524.db2.gz YZDYUNQNFJUTDD-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCCCC3)C2)O1 ZINC001033186740 707381529 /nfs/dbraw/zinc/38/15/29/707381529.db2.gz YZDYUNQNFJUTDD-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CCCCC3)C2)O1 ZINC001033186740 707381534 /nfs/dbraw/zinc/38/15/34/707381534.db2.gz YZDYUNQNFJUTDD-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCCCC3)C2)O1 ZINC001033186740 707381539 /nfs/dbraw/zinc/38/15/39/707381539.db2.gz YZDYUNQNFJUTDD-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000999838197 707409994 /nfs/dbraw/zinc/40/99/94/707409994.db2.gz UFMFDNGEUZGKDV-WLYUNCDWSA-N 2 1 336.867 1.766 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CC(F)(F)C3)C2)O1 ZINC001033197405 707416292 /nfs/dbraw/zinc/41/62/92/707416292.db2.gz PWLVUIQRRDOTJG-BPLDGKMQSA-N 2 1 345.434 1.284 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CC(F)(F)C3)C2)O1 ZINC001033197405 707416296 /nfs/dbraw/zinc/41/62/96/707416296.db2.gz PWLVUIQRRDOTJG-BPLDGKMQSA-N 2 1 345.434 1.284 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CC(F)(F)C3)C2)O1 ZINC001033197405 707416299 /nfs/dbraw/zinc/41/62/99/707416299.db2.gz PWLVUIQRRDOTJG-BPLDGKMQSA-N 2 1 345.434 1.284 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CC(F)(F)C3)C2)O1 ZINC001033197405 707416301 /nfs/dbraw/zinc/41/63/01/707416301.db2.gz PWLVUIQRRDOTJG-BPLDGKMQSA-N 2 1 345.434 1.284 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)s1 ZINC000999828882 707457278 /nfs/dbraw/zinc/45/72/78/707457278.db2.gz GWOVIJGTYPWETM-PNESKVBLSA-N 2 1 337.493 1.131 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)s1 ZINC000999828882 707457281 /nfs/dbraw/zinc/45/72/81/707457281.db2.gz GWOVIJGTYPWETM-PNESKVBLSA-N 2 1 337.493 1.131 20 0 EDADMP Cc1nonc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004874359 707537716 /nfs/dbraw/zinc/53/77/16/707537716.db2.gz CLYOTEOFAJDSLF-YOEHRIQHSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1nonc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004874359 707537720 /nfs/dbraw/zinc/53/77/20/707537720.db2.gz CLYOTEOFAJDSLF-YOEHRIQHSA-N 2 1 349.479 1.722 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nonc3C)C2)C1 ZINC000999972025 707582669 /nfs/dbraw/zinc/58/26/69/707582669.db2.gz FISAJYDJXCHHKB-JKSUJKDBSA-N 2 1 349.479 1.581 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nonc3C)C2)C1 ZINC000999972025 707582672 /nfs/dbraw/zinc/58/26/72/707582672.db2.gz FISAJYDJXCHHKB-JKSUJKDBSA-N 2 1 349.479 1.581 20 0 EDADMP CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999998416 707681160 /nfs/dbraw/zinc/68/11/60/707681160.db2.gz RRKFLPHLHHGCCV-CVEARBPZSA-N 2 1 334.468 1.035 20 0 EDADMP CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999998416 707681163 /nfs/dbraw/zinc/68/11/63/707681163.db2.gz RRKFLPHLHHGCCV-CVEARBPZSA-N 2 1 334.468 1.035 20 0 EDADMP CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C)nn2)C1 ZINC000999998416 707681166 /nfs/dbraw/zinc/68/11/66/707681166.db2.gz RRKFLPHLHHGCCV-CVEARBPZSA-N 2 1 334.468 1.035 20 0 EDADMP Cc1ncc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)o1 ZINC001033358784 707683063 /nfs/dbraw/zinc/68/30/63/707683063.db2.gz PXOHXUYNAUIAFV-CWRNSKLLSA-N 2 1 334.464 1.746 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001033358784 707683066 /nfs/dbraw/zinc/68/30/66/707683066.db2.gz PXOHXUYNAUIAFV-CWRNSKLLSA-N 2 1 334.464 1.746 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)o1 ZINC001033358784 707683068 /nfs/dbraw/zinc/68/30/68/707683068.db2.gz PXOHXUYNAUIAFV-CWRNSKLLSA-N 2 1 334.464 1.746 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)o1 ZINC001033358784 707683071 /nfs/dbraw/zinc/68/30/71/707683071.db2.gz PXOHXUYNAUIAFV-CWRNSKLLSA-N 2 1 334.464 1.746 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)o1 ZINC001033358784 707683073 /nfs/dbraw/zinc/68/30/73/707683073.db2.gz PXOHXUYNAUIAFV-CWRNSKLLSA-N 2 1 334.464 1.746 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)oc1C ZINC001000102166 707699357 /nfs/dbraw/zinc/69/93/57/707699357.db2.gz HSTJLMCWOYHSPT-DOTOQJQBSA-N 2 1 336.480 1.958 20 0 EDADMP Cc1cccnc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001032730884 707730880 /nfs/dbraw/zinc/73/08/80/707730880.db2.gz RPNMEIVBYJKZNJ-IKGGRYGDSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1cccnc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001032730884 707730882 /nfs/dbraw/zinc/73/08/82/707730882.db2.gz RPNMEIVBYJKZNJ-IKGGRYGDSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032730884 707730884 /nfs/dbraw/zinc/73/08/84/707730884.db2.gz RPNMEIVBYJKZNJ-IKGGRYGDSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032730884 707730886 /nfs/dbraw/zinc/73/08/86/707730886.db2.gz RPNMEIVBYJKZNJ-IKGGRYGDSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001033396995 707735998 /nfs/dbraw/zinc/73/59/98/707735998.db2.gz QKPLXAYHTFBQOS-QGZVFWFLSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001033396995 707736002 /nfs/dbraw/zinc/73/60/02/707736002.db2.gz QKPLXAYHTFBQOS-QGZVFWFLSA-N 2 1 331.464 1.160 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)n1 ZINC001033419339 707777978 /nfs/dbraw/zinc/77/79/78/707777978.db2.gz IMBLTKBPTUSYMV-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)n1 ZINC001033419339 707777980 /nfs/dbraw/zinc/77/79/80/707777980.db2.gz IMBLTKBPTUSYMV-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001033419339 707777981 /nfs/dbraw/zinc/77/79/81/707777981.db2.gz IMBLTKBPTUSYMV-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001033419339 707777983 /nfs/dbraw/zinc/77/79/83/707777983.db2.gz IMBLTKBPTUSYMV-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033417071 707798430 /nfs/dbraw/zinc/79/84/30/707798430.db2.gz UZVWLJVGRDNRRK-APWZRJJASA-N 2 1 345.487 1.696 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033417071 707798432 /nfs/dbraw/zinc/79/84/32/707798432.db2.gz UZVWLJVGRDNRRK-APWZRJJASA-N 2 1 345.487 1.696 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033417071 707798434 /nfs/dbraw/zinc/79/84/34/707798434.db2.gz UZVWLJVGRDNRRK-APWZRJJASA-N 2 1 345.487 1.696 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033226989 707839211 /nfs/dbraw/zinc/83/92/11/707839211.db2.gz XTVZXSUJLWSULU-QGZVFWFLSA-N 2 1 335.492 1.574 20 0 EDADMP COCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033424474 707842181 /nfs/dbraw/zinc/84/21/81/707842181.db2.gz ZJMJIUPKUOGVDD-CQSZACIVSA-N 2 1 336.436 1.063 20 0 EDADMP COCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033424474 707842183 /nfs/dbraw/zinc/84/21/83/707842183.db2.gz ZJMJIUPKUOGVDD-CQSZACIVSA-N 2 1 336.436 1.063 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]CC[C@@H]3CCOC3)C2)C1 ZINC001000200136 707842725 /nfs/dbraw/zinc/84/27/25/707842725.db2.gz PKAAGYGHIXYGBN-SJORKVTESA-N 2 1 337.508 1.726 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426125 707847357 /nfs/dbraw/zinc/84/73/57/707847357.db2.gz NMBJSBTWLKPKLP-MRXNPFEDSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426125 707847360 /nfs/dbraw/zinc/84/73/60/707847360.db2.gz NMBJSBTWLKPKLP-MRXNPFEDSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033426125 707847365 /nfs/dbraw/zinc/84/73/65/707847365.db2.gz NMBJSBTWLKPKLP-MRXNPFEDSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033426125 707847369 /nfs/dbraw/zinc/84/73/69/707847369.db2.gz NMBJSBTWLKPKLP-MRXNPFEDSA-N 2 1 334.464 1.748 20 0 EDADMP CCc1cc(NC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nc(C)[nH+]1 ZINC001060933735 707952232 /nfs/dbraw/zinc/95/22/32/707952232.db2.gz SIBAEUVCJUWHNK-KBXCAEBGSA-N 2 1 345.491 1.948 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475760 707965760 /nfs/dbraw/zinc/96/57/60/707965760.db2.gz RFRXUGJJGBNLIY-KRWDZBQOSA-N 2 1 345.491 1.550 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475760 707965762 /nfs/dbraw/zinc/96/57/62/707965762.db2.gz RFRXUGJJGBNLIY-KRWDZBQOSA-N 2 1 345.491 1.550 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC001000521765 708039745 /nfs/dbraw/zinc/03/97/45/708039745.db2.gz NSYDHBBVFCSTKS-RTBURBONSA-N 2 1 349.519 1.770 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NCC1=CC[N@H+](C[C@@H](O)C2CCCCC2)CC1 ZINC001000521765 708039746 /nfs/dbraw/zinc/03/97/46/708039746.db2.gz NSYDHBBVFCSTKS-RTBURBONSA-N 2 1 349.519 1.770 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NCC1=CC[N@@H+](C[C@@H](O)C2CCCCC2)CC1 ZINC001000521765 708039749 /nfs/dbraw/zinc/03/97/49/708039749.db2.gz NSYDHBBVFCSTKS-RTBURBONSA-N 2 1 349.519 1.770 20 0 EDADMP CC(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000714777 708063112 /nfs/dbraw/zinc/06/31/12/708063112.db2.gz NDJWRSUPIRRTQX-ROUUACIJSA-N 2 1 335.492 1.644 20 0 EDADMP CC(C)CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001000714777 708063113 /nfs/dbraw/zinc/06/31/13/708063113.db2.gz NDJWRSUPIRRTQX-ROUUACIJSA-N 2 1 335.492 1.644 20 0 EDADMP CC(C)CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001000714777 708063115 /nfs/dbraw/zinc/06/31/15/708063115.db2.gz NDJWRSUPIRRTQX-ROUUACIJSA-N 2 1 335.492 1.644 20 0 EDADMP COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C[NH+](C)C ZINC001032800211 708080615 /nfs/dbraw/zinc/08/06/15/708080615.db2.gz ATZVZAUCMCDERO-PVAVHDDUSA-N 2 1 331.460 1.682 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001005182141 708128019 /nfs/dbraw/zinc/12/80/19/708128019.db2.gz CZFYVTAKOXYZAA-MRXNPFEDSA-N 2 1 334.464 1.808 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001005183628 708134045 /nfs/dbraw/zinc/13/40/45/708134045.db2.gz JKYMYSHFDNKZKI-FUHWJXTLSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccnn3C)C2)CC1 ZINC001033552002 708215303 /nfs/dbraw/zinc/21/53/03/708215303.db2.gz TXECNSVIXKTNDE-QGZVFWFLSA-N 2 1 347.507 1.573 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC001033552002 708215305 /nfs/dbraw/zinc/21/53/05/708215305.db2.gz TXECNSVIXKTNDE-QGZVFWFLSA-N 2 1 347.507 1.573 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)nc(C)[nH+]1 ZINC001061019256 708228128 /nfs/dbraw/zinc/22/81/28/708228128.db2.gz ZVPGWAZTBXYXGS-HNNXBMFYSA-N 2 1 331.464 1.838 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nc(C)[nH+]1 ZINC001061019256 708228130 /nfs/dbraw/zinc/22/81/30/708228130.db2.gz ZVPGWAZTBXYXGS-HNNXBMFYSA-N 2 1 331.464 1.838 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CC[NH+](C[C@@H](C)OC)CC2)C1 ZINC001001751753 708274148 /nfs/dbraw/zinc/27/41/48/708274148.db2.gz ORWVGBYGIBFZAY-AEFFLSMTSA-N 2 1 339.524 1.972 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001033591825 708290063 /nfs/dbraw/zinc/29/00/63/708290063.db2.gz CPRSKISNKVSWFY-OAHLLOKOSA-N 2 1 332.448 1.420 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001033591825 708290065 /nfs/dbraw/zinc/29/00/65/708290065.db2.gz CPRSKISNKVSWFY-OAHLLOKOSA-N 2 1 332.448 1.420 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001033592370 708290697 /nfs/dbraw/zinc/29/06/97/708290697.db2.gz GBBBRJPONNZYDO-JKSUJKDBSA-N 2 1 335.492 1.430 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593789 708293096 /nfs/dbraw/zinc/29/30/96/708293096.db2.gz MGDBYXQIZQXDSF-OAHLLOKOSA-N 2 1 346.475 1.674 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033594993 708298014 /nfs/dbraw/zinc/29/80/14/708298014.db2.gz SZQQTKJACNXPLZ-SFHVURJKSA-N 2 1 343.471 1.307 20 0 EDADMP CCc1onc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033595305 708298495 /nfs/dbraw/zinc/29/84/95/708298495.db2.gz RTUMYDKGSXGMBI-HOTGVXAUSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033595305 708298498 /nfs/dbraw/zinc/29/84/98/708298498.db2.gz RTUMYDKGSXGMBI-HOTGVXAUSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033595305 708298499 /nfs/dbraw/zinc/29/84/99/708298499.db2.gz RTUMYDKGSXGMBI-HOTGVXAUSA-N 2 1 348.491 1.920 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CCN(Cc2cnns2)CC1 ZINC001001826575 708328969 /nfs/dbraw/zinc/32/89/69/708328969.db2.gz WRVSDHDNSJIXAG-SWLSCSKDSA-N 2 1 337.493 1.064 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC001001833977 708360345 /nfs/dbraw/zinc/36/03/45/708360345.db2.gz NEYRUEJQJNUXJZ-SUMWQHHRSA-N 2 1 348.491 1.817 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033687173 708502449 /nfs/dbraw/zinc/50/24/49/708502449.db2.gz ZIMHWCCDOQFVHP-IAGOWNOFSA-N 2 1 333.480 1.290 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033687173 708502453 /nfs/dbraw/zinc/50/24/53/708502453.db2.gz ZIMHWCCDOQFVHP-IAGOWNOFSA-N 2 1 333.480 1.290 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033687173 708502455 /nfs/dbraw/zinc/50/24/55/708502455.db2.gz ZIMHWCCDOQFVHP-IAGOWNOFSA-N 2 1 333.480 1.290 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001002156483 708671242 /nfs/dbraw/zinc/67/12/42/708671242.db2.gz HRWWXAHMEORTQF-GOSISDBHSA-N 2 1 347.507 1.623 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001002156483 708671243 /nfs/dbraw/zinc/67/12/43/708671243.db2.gz HRWWXAHMEORTQF-GOSISDBHSA-N 2 1 347.507 1.623 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC001033778223 708706481 /nfs/dbraw/zinc/70/64/81/708706481.db2.gz YUJGMKMOXRJIJO-DOTOQJQBSA-N 2 1 334.464 1.808 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC001033778223 708706483 /nfs/dbraw/zinc/70/64/83/708706483.db2.gz YUJGMKMOXRJIJO-DOTOQJQBSA-N 2 1 334.464 1.808 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2c(C)noc2C)C1 ZINC001033778223 708706485 /nfs/dbraw/zinc/70/64/85/708706485.db2.gz YUJGMKMOXRJIJO-DOTOQJQBSA-N 2 1 334.464 1.808 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2c(C)noc2C)C1 ZINC001033778223 708706486 /nfs/dbraw/zinc/70/64/86/708706486.db2.gz YUJGMKMOXRJIJO-DOTOQJQBSA-N 2 1 334.464 1.808 20 0 EDADMP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC001033885981 708993442 /nfs/dbraw/zinc/99/34/42/708993442.db2.gz CKYLJJVCHHUBMJ-ZBFHGGJFSA-N 2 1 330.432 1.906 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001002477366 708999018 /nfs/dbraw/zinc/99/90/18/708999018.db2.gz ZDGLEPPCPUCISK-WMLDXEAASA-N 2 1 331.464 1.521 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC001002477366 708999023 /nfs/dbraw/zinc/99/90/23/708999023.db2.gz ZDGLEPPCPUCISK-WMLDXEAASA-N 2 1 331.464 1.521 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC001002475328 709010945 /nfs/dbraw/zinc/01/09/45/709010945.db2.gz MCTDHJOZHKPKFQ-SFHVURJKSA-N 2 1 349.450 1.493 20 0 EDADMP CC[C@H](C[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1)OC ZINC001033939803 709145291 /nfs/dbraw/zinc/14/52/91/709145291.db2.gz COOYWMCQKHMETF-IAGOWNOFSA-N 2 1 325.497 1.676 20 0 EDADMP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033983802 709193117 /nfs/dbraw/zinc/19/31/17/709193117.db2.gz YHZGOMALUGNMFL-SFHVURJKSA-N 2 1 347.507 1.947 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC001034131606 709401486 /nfs/dbraw/zinc/40/14/86/709401486.db2.gz NSGQQUZQJZPOAB-JKSUJKDBSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001034131606 709401489 /nfs/dbraw/zinc/40/14/89/709401489.db2.gz NSGQQUZQJZPOAB-JKSUJKDBSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)o1 ZINC001034131606 709401492 /nfs/dbraw/zinc/40/14/92/709401492.db2.gz NSGQQUZQJZPOAB-JKSUJKDBSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)o1 ZINC001034131606 709401494 /nfs/dbraw/zinc/40/14/94/709401494.db2.gz NSGQQUZQJZPOAB-JKSUJKDBSA-N 2 1 334.464 1.856 20 0 EDADMP CCn1cc(CN2CCC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)nn1 ZINC001002793646 709401630 /nfs/dbraw/zinc/40/16/30/709401630.db2.gz YOEQZDNYEBBQDW-QGZVFWFLSA-N 2 1 348.495 1.251 20 0 EDADMP CC[C@H](C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1)OC ZINC001002793668 709401947 /nfs/dbraw/zinc/40/19/47/709401947.db2.gz ZBPNVKOFGNJMLN-IAGOWNOFSA-N 2 1 325.497 1.865 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCCCO3)CC2)CC[N@H+]1C ZINC001002858925 709466655 /nfs/dbraw/zinc/46/66/55/709466655.db2.gz JGHQXXOGMJYDGC-FGTMMUONSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032832466 709698432 /nfs/dbraw/zinc/69/84/32/709698432.db2.gz CCGTVVHOGKDQTC-BPQIPLTHSA-N 2 1 331.460 1.252 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032832466 709698433 /nfs/dbraw/zinc/69/84/33/709698433.db2.gz CCGTVVHOGKDQTC-BPQIPLTHSA-N 2 1 331.460 1.252 20 0 EDADMP CCc1cc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC001061214299 709738943 /nfs/dbraw/zinc/73/89/43/709738943.db2.gz NMLPXDZVMLBQDE-WBVHZDCISA-N 2 1 345.491 1.726 20 0 EDADMP CCc1cc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC001061214299 709738945 /nfs/dbraw/zinc/73/89/45/709738945.db2.gz NMLPXDZVMLBQDE-WBVHZDCISA-N 2 1 345.491 1.726 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CCC2)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321555 709771687 /nfs/dbraw/zinc/77/16/87/709771687.db2.gz UYIPZXCVDNEKAC-SFANZJOMSA-N 2 1 347.503 1.620 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CC2CCC2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001034321555 709771691 /nfs/dbraw/zinc/77/16/91/709771691.db2.gz UYIPZXCVDNEKAC-SFANZJOMSA-N 2 1 347.503 1.620 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CC2CCC2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001034321555 709771693 /nfs/dbraw/zinc/77/16/93/709771693.db2.gz UYIPZXCVDNEKAC-SFANZJOMSA-N 2 1 347.503 1.620 20 0 EDADMP C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304279 709774076 /nfs/dbraw/zinc/77/40/76/709774076.db2.gz QTKVAXSNNWOYMO-CABCVRRESA-N 2 1 343.431 1.232 20 0 EDADMP O=C(NC1CC[NH+](CC[C@H]2CCCO2)CC1)[C@H]1CCCc2[nH+]ccn21 ZINC001003016761 709804943 /nfs/dbraw/zinc/80/49/43/709804943.db2.gz OWGPBYXAKBRSJK-IAGOWNOFSA-N 2 1 346.475 1.910 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@H]3CCCCO3)C2)CC1 ZINC001034378991 709900639 /nfs/dbraw/zinc/90/06/39/709900639.db2.gz ZQIXTGQMSBEZKI-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP Cn1cc(C[N@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001034386500 709914919 /nfs/dbraw/zinc/91/49/19/709914919.db2.gz SEXQNUSKYJKFGB-KRWDZBQOSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCc2ccnn2C)C1 ZINC001034395537 709929074 /nfs/dbraw/zinc/92/90/74/709929074.db2.gz AAZFLMZULYGYAA-DLBZAZTESA-N 2 1 347.507 1.418 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CCc2ccnn2C)C1 ZINC001034395537 709929079 /nfs/dbraw/zinc/92/90/79/709929079.db2.gz AAZFLMZULYGYAA-DLBZAZTESA-N 2 1 347.507 1.418 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CCc2ccnn2C)C1 ZINC001034395537 709929080 /nfs/dbraw/zinc/92/90/80/709929080.db2.gz AAZFLMZULYGYAA-DLBZAZTESA-N 2 1 347.507 1.418 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3cccnc3)C2)C1 ZINC001034402670 709948504 /nfs/dbraw/zinc/94/85/04/709948504.db2.gz RUZUETQSQNPKLU-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](Cc3cccnc3)C2)C1 ZINC001034402670 709948507 /nfs/dbraw/zinc/94/85/07/709948507.db2.gz RUZUETQSQNPKLU-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3cccnc3)C2)C1 ZINC001034402670 709948510 /nfs/dbraw/zinc/94/85/10/709948510.db2.gz RUZUETQSQNPKLU-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP CO[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432642 710002803 /nfs/dbraw/zinc/00/28/03/710002803.db2.gz XJTIBWSLYCZGQC-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP COCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034439651 710015559 /nfs/dbraw/zinc/01/55/59/710015559.db2.gz WNMREMJTEGCQQR-IAGOWNOFSA-N 2 1 325.497 1.868 20 0 EDADMP COCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034439211 710015808 /nfs/dbraw/zinc/01/58/08/710015808.db2.gz SJLYTKUCLRHIQW-SJORKVTESA-N 2 1 325.497 1.866 20 0 EDADMP COCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034439211 710015812 /nfs/dbraw/zinc/01/58/12/710015812.db2.gz SJLYTKUCLRHIQW-SJORKVTESA-N 2 1 325.497 1.866 20 0 EDADMP COCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034439211 710015817 /nfs/dbraw/zinc/01/58/17/710015817.db2.gz SJLYTKUCLRHIQW-SJORKVTESA-N 2 1 325.497 1.866 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3ccccn3)C2)C1 ZINC001034491589 710112285 /nfs/dbraw/zinc/11/22/85/710112285.db2.gz VTUCXJCMWSJRRR-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@H+](Cc3ccccn3)C2)C1 ZINC001034491589 710112287 /nfs/dbraw/zinc/11/22/87/710112287.db2.gz VTUCXJCMWSJRRR-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3ccccn3)C2)C1 ZINC001034491589 710112290 /nfs/dbraw/zinc/11/22/90/710112290.db2.gz VTUCXJCMWSJRRR-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCCC[N@H+](C[C@H]2CCOC2)C1 ZINC001034484527 710129232 /nfs/dbraw/zinc/12/92/32/710129232.db2.gz MJXYHFGOWFDDPD-CVEARBPZSA-N 2 1 346.475 1.768 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCCC[N@@H+](C[C@H]2CCOC2)C1 ZINC001034484527 710129236 /nfs/dbraw/zinc/12/92/36/710129236.db2.gz MJXYHFGOWFDDPD-CVEARBPZSA-N 2 1 346.475 1.768 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001034607107 710270224 /nfs/dbraw/zinc/27/02/24/710270224.db2.gz KXQVOFIZFCBRNY-ZOBUZTSGSA-N 2 1 331.464 1.396 20 0 EDADMP COc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC001034610906 710284982 /nfs/dbraw/zinc/28/49/82/710284982.db2.gz GIEIZINDDCGREY-IIDMSEBBSA-N 2 1 346.475 1.701 20 0 EDADMP CCCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001034611147 710285205 /nfs/dbraw/zinc/28/52/05/710285205.db2.gz IGQZVJBXFYOHIU-BZUAXINKSA-N 2 1 348.495 1.299 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001003374974 710293119 /nfs/dbraw/zinc/29/31/19/710293119.db2.gz FLVPUADZTUSXEC-SFHVURJKSA-N 2 1 345.491 1.375 20 0 EDADMP Cc1ncc(CN2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001003626764 710450266 /nfs/dbraw/zinc/45/02/66/710450266.db2.gz WRYLXBFCWJVTDQ-AWEZNQCLSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001003626764 710450269 /nfs/dbraw/zinc/45/02/69/710450269.db2.gz WRYLXBFCWJVTDQ-AWEZNQCLSA-N 2 1 331.464 1.207 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC001003629945 710459684 /nfs/dbraw/zinc/45/96/84/710459684.db2.gz GXTVEJQSLBUHEN-KSSFIOAISA-N 2 1 346.475 1.369 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC001003629945 710459686 /nfs/dbraw/zinc/45/96/86/710459686.db2.gz GXTVEJQSLBUHEN-KSSFIOAISA-N 2 1 346.475 1.369 20 0 EDADMP Cc1ncsc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003635641 710462703 /nfs/dbraw/zinc/46/27/03/710462703.db2.gz QAUJJBYVRUGBMN-DOMZBBRYSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001003636113 710463073 /nfs/dbraw/zinc/46/30/73/710463073.db2.gz SNPJUTZQTPWLMF-KSSFIOAISA-N 2 1 347.507 1.278 20 0 EDADMP C[NH+]1CCC(CC(=O)NC2CC[NH+](Cc3cncs3)CC2)CC1 ZINC001003739411 710519872 /nfs/dbraw/zinc/51/98/72/710519872.db2.gz DEJISACMBOAGHW-UHFFFAOYSA-N 2 1 336.505 1.956 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccns2)CC1 ZINC001034692996 710782564 /nfs/dbraw/zinc/78/25/64/710782564.db2.gz RIRXIZXFRYJSGA-SHTZXODSSA-N 2 1 347.488 1.908 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCc3cnn(C)c3)CC2)C1 ZINC001034734730 710917091 /nfs/dbraw/zinc/91/70/91/710917091.db2.gz WOXZYZVOKGRGGK-SZMVWBNQSA-N 2 1 347.507 1.321 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC001034734740 710917167 /nfs/dbraw/zinc/91/71/67/710917167.db2.gz WZJBJUZTRSSWKK-XLAORIBOSA-N 2 1 337.508 1.914 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@@H]3CCOC3)CC2)C1 ZINC001034734658 710917469 /nfs/dbraw/zinc/91/74/69/710917469.db2.gz URYPVRGVYVUMIA-MHORFTMASA-N 2 1 337.508 1.772 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001034734789 710917764 /nfs/dbraw/zinc/91/77/64/710917764.db2.gz YXRXTGLKMAJRBW-BRWVUGGUSA-N 2 1 347.507 1.762 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)CC1 ZINC001034737485 710949702 /nfs/dbraw/zinc/94/97/02/710949702.db2.gz JQMVQLLTRKDGNF-MBGYTDRXSA-N 2 1 348.466 1.935 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1 ZINC001034737516 710950152 /nfs/dbraw/zinc/95/01/52/710950152.db2.gz KYZMORDOJOVDJY-JKQORVJESA-N 2 1 348.495 1.013 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001032958515 710952059 /nfs/dbraw/zinc/95/20/59/710952059.db2.gz BIFNNWQNOCMYAO-IAGOWNOFSA-N 2 1 333.480 1.127 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001032958515 710952063 /nfs/dbraw/zinc/95/20/63/710952063.db2.gz BIFNNWQNOCMYAO-IAGOWNOFSA-N 2 1 333.480 1.127 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001032958515 710952067 /nfs/dbraw/zinc/95/20/67/710952067.db2.gz BIFNNWQNOCMYAO-IAGOWNOFSA-N 2 1 333.480 1.127 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1ncccn1 ZINC001034776349 711051984 /nfs/dbraw/zinc/05/19/84/711051984.db2.gz PXEVJUOHPPLHCW-YYIAUSFCSA-N 2 1 345.491 1.896 20 0 EDADMP Cc1cccc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032975933 711067879 /nfs/dbraw/zinc/06/78/79/711067879.db2.gz LEJIFTLFZNXMRP-HKUYNNGSSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1cccc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032975933 711067883 /nfs/dbraw/zinc/06/78/83/711067883.db2.gz LEJIFTLFZNXMRP-HKUYNNGSSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1cccc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032975933 711067886 /nfs/dbraw/zinc/06/78/86/711067886.db2.gz LEJIFTLFZNXMRP-HKUYNNGSSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1cccc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032975933 711067891 /nfs/dbraw/zinc/06/78/91/711067891.db2.gz LEJIFTLFZNXMRP-HKUYNNGSSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001003969765 711118706 /nfs/dbraw/zinc/11/87/06/711118706.db2.gz BLKNFNXPJDZKRF-OAHLLOKOSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001003969765 711118710 /nfs/dbraw/zinc/11/87/10/711118710.db2.gz BLKNFNXPJDZKRF-OAHLLOKOSA-N 2 1 331.464 1.207 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC001034792679 711119999 /nfs/dbraw/zinc/11/99/99/711119999.db2.gz KPBWCGIBACGBMG-NCXUSEDFSA-N 2 1 345.487 1.689 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001034793363 711123616 /nfs/dbraw/zinc/12/36/16/711123616.db2.gz YFIHWOOCVPEXBF-LXTVHRRPSA-N 2 1 348.495 1.397 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001003975737 711174042 /nfs/dbraw/zinc/17/40/42/711174042.db2.gz OEYVDUOWVPHAFK-HZPDHXFCSA-N 2 1 345.491 1.768 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001003975737 711174045 /nfs/dbraw/zinc/17/40/45/711174045.db2.gz OEYVDUOWVPHAFK-HZPDHXFCSA-N 2 1 345.491 1.768 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccncc1Cl ZINC001034882768 711284055 /nfs/dbraw/zinc/28/40/55/711284055.db2.gz ZOXKUWOUQFBRQF-ZBFHGGJFSA-N 2 1 336.867 1.910 20 0 EDADMP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)c(C)n1 ZINC001034883115 711285009 /nfs/dbraw/zinc/28/50/09/711285009.db2.gz LUSDHTFZUQCWKZ-QZTJIDSGSA-N 2 1 330.476 1.873 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc2n(n1)CCC2 ZINC001034883229 711285080 /nfs/dbraw/zinc/28/50/80/711285080.db2.gz BGDQXYLWZSWSJT-IAGOWNOFSA-N 2 1 331.464 1.004 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)c(C)s1 ZINC001034884685 711288300 /nfs/dbraw/zinc/28/83/00/711288300.db2.gz LKEWTAFVJMAHQG-ZBFHGGJFSA-N 2 1 336.505 1.935 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)c1ncccn1 ZINC001034956672 711427328 /nfs/dbraw/zinc/42/73/28/711427328.db2.gz FKNNQHPDRJBQJJ-HUUCEWRRSA-N 2 1 331.464 1.603 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn3ccccc13)C2 ZINC000922387764 711427979 /nfs/dbraw/zinc/42/79/79/711427979.db2.gz MWHLYIPLUNKXBG-OQIJWPOYSA-N 2 1 328.460 1.904 20 0 EDADMP CCn1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)n1 ZINC001034957533 711429284 /nfs/dbraw/zinc/42/92/84/711429284.db2.gz ZIQFODHLEMQKTE-OAHLLOKOSA-N 2 1 348.495 1.171 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cn3ccccc3n1)C2 ZINC000922388133 711429831 /nfs/dbraw/zinc/42/98/31/711429831.db2.gz OOWHAPKTGQFXIM-ZAWLATJESA-N 2 1 328.460 1.904 20 0 EDADMP Cc1oncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001034937047 711437645 /nfs/dbraw/zinc/43/76/45/711437645.db2.gz ZXSDUHHCJHCHOK-IAGOWNOFSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1cncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001034939691 711442275 /nfs/dbraw/zinc/44/22/75/711442275.db2.gz KRKTZAQQXRSEBS-KBAYOESNSA-N 2 1 330.476 1.811 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001034940095 711443405 /nfs/dbraw/zinc/44/34/05/711443405.db2.gz XJMWZHUGQXCYNC-RBSFLKMASA-N 2 1 336.505 1.872 20 0 EDADMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(Cl)n1C)C2 ZINC000922389800 711444848 /nfs/dbraw/zinc/44/48/48/711444848.db2.gz KJPXWNSQKZCDCD-MPTQWLOMSA-N 2 1 326.872 1.643 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(Cl)n1C)C2 ZINC000922389800 711444849 /nfs/dbraw/zinc/44/48/49/711444849.db2.gz KJPXWNSQKZCDCD-MPTQWLOMSA-N 2 1 326.872 1.643 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3c[nH]c(C(=O)OC)c3)C2)[C@H]1C(C)C ZINC000922395054 711451119 /nfs/dbraw/zinc/45/11/19/711451119.db2.gz UAZFHRHRSHUHTF-YWTNHNAXSA-N 2 1 349.475 1.761 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3F)CC2)C1 ZINC001004142202 711542149 /nfs/dbraw/zinc/54/21/49/711542149.db2.gz IFNCUPCJNNKRNV-CQSZACIVSA-N 2 1 337.414 1.997 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3F)CC2)C1 ZINC001004142202 711542150 /nfs/dbraw/zinc/54/21/50/711542150.db2.gz IFNCUPCJNNKRNV-CQSZACIVSA-N 2 1 337.414 1.997 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CCN(Cc3cc(F)cc(F)c3)CC2)C1 ZINC001004144994 711553518 /nfs/dbraw/zinc/55/35/18/711553518.db2.gz RZKLFUQVPHNSNL-CQSZACIVSA-N 2 1 337.414 1.997 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cc(F)cc(F)c3)CC2)C1 ZINC001004144994 711553522 /nfs/dbraw/zinc/55/35/22/711553522.db2.gz RZKLFUQVPHNSNL-CQSZACIVSA-N 2 1 337.414 1.997 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cc(F)cc(F)c3)CC2)C1 ZINC001004144994 711553525 /nfs/dbraw/zinc/55/35/25/711553525.db2.gz RZKLFUQVPHNSNL-CQSZACIVSA-N 2 1 337.414 1.997 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033126153 711864942 /nfs/dbraw/zinc/86/49/42/711864942.db2.gz KTKKIIWIHGGHJR-SJLPKXTDSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033126153 711864944 /nfs/dbraw/zinc/86/49/44/711864944.db2.gz KTKKIIWIHGGHJR-SJLPKXTDSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033126153 711864947 /nfs/dbraw/zinc/86/49/47/711864947.db2.gz KTKKIIWIHGGHJR-SJLPKXTDSA-N 2 1 337.508 1.963 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004483945 711874878 /nfs/dbraw/zinc/87/48/78/711874878.db2.gz KMTCAUANTATHMF-KRWDZBQOSA-N 2 1 334.464 1.277 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004483945 711874879 /nfs/dbraw/zinc/87/48/79/711874879.db2.gz KMTCAUANTATHMF-KRWDZBQOSA-N 2 1 334.464 1.277 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@@H]2CCC[N@H+]2C[C@H](C)O)CC1 ZINC001004618999 712079934 /nfs/dbraw/zinc/07/99/34/712079934.db2.gz ZBSFBBYOXUPJFV-YOEHRIQHSA-N 2 1 334.464 1.275 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2C[C@H](C)O)CC1 ZINC001004618999 712079937 /nfs/dbraw/zinc/07/99/37/712079937.db2.gz ZBSFBBYOXUPJFV-YOEHRIQHSA-N 2 1 334.464 1.275 20 0 EDADMP CCC[C@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCOC ZINC000557664387 306232708 /nfs/dbraw/zinc/23/27/08/306232708.db2.gz SKYCELYYHFCEPD-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[C@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCOC ZINC000557664387 306232709 /nfs/dbraw/zinc/23/27/09/306232709.db2.gz SKYCELYYHFCEPD-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCOC ZINC000557664387 306232710 /nfs/dbraw/zinc/23/27/10/306232710.db2.gz SKYCELYYHFCEPD-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCOC ZINC000557664387 306232711 /nfs/dbraw/zinc/23/27/11/306232711.db2.gz SKYCELYYHFCEPD-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1Cl ZINC000261620059 282244597 /nfs/dbraw/zinc/24/45/97/282244597.db2.gz CDZGBJZBJPKAMH-DFBGVHRSSA-N 2 1 325.840 1.565 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000247107899 282250202 /nfs/dbraw/zinc/25/02/02/282250202.db2.gz LDPFJLYIBPUIQX-BHYGNILZSA-N 2 1 325.497 1.709 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000333459502 282254180 /nfs/dbraw/zinc/25/41/80/282254180.db2.gz PGTFQLOXXRCQOJ-NSHDSACASA-N 2 1 330.436 1.435 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000333459502 282254181 /nfs/dbraw/zinc/25/41/81/282254181.db2.gz PGTFQLOXXRCQOJ-NSHDSACASA-N 2 1 330.436 1.435 20 0 EDADMP Cc1nn(C)c2ncc(C[N@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cc12 ZINC000261683677 282288572 /nfs/dbraw/zinc/28/85/72/282288572.db2.gz AKQHAHUFKRESNR-OAHLLOKOSA-N 2 1 344.463 1.096 20 0 EDADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C1=CC[NH+](C)CC1 ZINC000333311360 299106133 /nfs/dbraw/zinc/10/61/33/299106133.db2.gz VJIWAZYPIKYXII-CABCVRRESA-N 2 1 338.496 1.123 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000333311360 299106136 /nfs/dbraw/zinc/10/61/36/299106136.db2.gz VJIWAZYPIKYXII-CABCVRRESA-N 2 1 338.496 1.123 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000333311360 299106140 /nfs/dbraw/zinc/10/61/40/299106140.db2.gz VJIWAZYPIKYXII-CABCVRRESA-N 2 1 338.496 1.123 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000124304930 539685179 /nfs/dbraw/zinc/68/51/79/539685179.db2.gz BKXMNGVTWRRXRZ-KRWDZBQOSA-N 2 1 345.491 1.324 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000151470037 539754597 /nfs/dbraw/zinc/75/45/97/539754597.db2.gz LODZVXWCESDEGI-PMPSAXMXSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000151470037 539754602 /nfs/dbraw/zinc/75/46/02/539754602.db2.gz LODZVXWCESDEGI-PMPSAXMXSA-N 2 1 326.485 1.125 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000152379818 539808264 /nfs/dbraw/zinc/80/82/64/539808264.db2.gz SIJBAIBDQKHDDE-IAGOWNOFSA-N 2 1 342.528 1.715 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000152379818 539808268 /nfs/dbraw/zinc/80/82/68/539808268.db2.gz SIJBAIBDQKHDDE-IAGOWNOFSA-N 2 1 342.528 1.715 20 0 EDADMP C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC[N@@H+](C2CC2)C1 ZINC000562746113 306307661 /nfs/dbraw/zinc/30/76/61/306307661.db2.gz NXSSDYNJIJDTFI-AWEZNQCLSA-N 2 1 332.448 1.827 20 0 EDADMP C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC[N@H+](C2CC2)C1 ZINC000562746113 306307662 /nfs/dbraw/zinc/30/76/62/306307662.db2.gz NXSSDYNJIJDTFI-AWEZNQCLSA-N 2 1 332.448 1.827 20 0 EDADMP C[C@H]1CC[NH2+][C@H](C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000563211207 306323746 /nfs/dbraw/zinc/32/37/46/306323746.db2.gz RHRDVAASYWLEMG-IRXDYDNUSA-N 2 1 336.524 1.441 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000073104705 138213906 /nfs/dbraw/zinc/21/39/06/138213906.db2.gz SIEPVXBFLJUUIR-INIZCTEOSA-N 2 1 348.447 1.236 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000073104705 138213908 /nfs/dbraw/zinc/21/39/08/138213908.db2.gz SIEPVXBFLJUUIR-INIZCTEOSA-N 2 1 348.447 1.236 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1F)C2 ZINC000114751186 138310563 /nfs/dbraw/zinc/31/05/63/138310563.db2.gz FFXKUEYPPOLMMS-HIFRSBDPSA-N 2 1 330.407 1.940 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000116521518 138311943 /nfs/dbraw/zinc/31/19/43/138311943.db2.gz XEGOLYOHBOKQQZ-YJBOKZPZSA-N 2 1 345.491 1.685 20 0 EDADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)CC[N@@H+]1C ZINC000123983708 138322749 /nfs/dbraw/zinc/32/27/49/138322749.db2.gz ARAVGWLULBEGML-CJNGLKHVSA-N 2 1 332.448 1.529 20 0 EDADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)CC[N@H+]1C ZINC000123983708 138322750 /nfs/dbraw/zinc/32/27/50/138322750.db2.gz ARAVGWLULBEGML-CJNGLKHVSA-N 2 1 332.448 1.529 20 0 EDADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)CC[NH+]1C ZINC000123983708 138322751 /nfs/dbraw/zinc/32/27/51/138322751.db2.gz ARAVGWLULBEGML-CJNGLKHVSA-N 2 1 332.448 1.529 20 0 EDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)CC[NH+]1C ZINC000123983708 138322752 /nfs/dbraw/zinc/32/27/52/138322752.db2.gz ARAVGWLULBEGML-CJNGLKHVSA-N 2 1 332.448 1.529 20 0 EDADMP C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000641622786 452143085 /nfs/dbraw/zinc/14/30/85/452143085.db2.gz BEJXQSHTESEWIX-LSDHHAIUSA-N 2 1 331.526 1.463 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564321453 306358173 /nfs/dbraw/zinc/35/81/73/306358173.db2.gz KZFGMBKIUOUPND-CABCVRRESA-N 2 1 336.432 1.477 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CC)C2)C1 ZINC000413846374 304080656 /nfs/dbraw/zinc/08/06/56/304080656.db2.gz TYZPRZBAXQZSNV-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000564784321 306364425 /nfs/dbraw/zinc/36/44/25/306364425.db2.gz PTOQTVOQIALITJ-UHFFFAOYSA-N 2 1 341.358 1.262 20 0 EDADMP O=C1CN(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1 ZINC000565491524 306385051 /nfs/dbraw/zinc/38/50/51/306385051.db2.gz LYBKFHKQPFTYKB-UHFFFAOYSA-N 2 1 344.503 1.105 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000565714699 306389521 /nfs/dbraw/zinc/38/95/21/306389521.db2.gz WHLRGTFRQMOWRM-HZPDHXFCSA-N 2 1 348.495 1.272 20 0 EDADMP CCC(CC)(C[NH3+])C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000565778302 306391454 /nfs/dbraw/zinc/39/14/54/306391454.db2.gz XRFPQVRGNAZTBB-UHFFFAOYSA-N 2 1 332.492 1.690 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000414710828 304131213 /nfs/dbraw/zinc/13/12/13/304131213.db2.gz SQIBQAIHGDSFHD-HNNXBMFYSA-N 2 1 346.475 1.725 20 0 EDADMP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367992891 296106604 /nfs/dbraw/zinc/10/66/04/296106604.db2.gz GRFIEKDZBZLBPU-JKSUJKDBSA-N 2 1 337.414 1.964 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367992891 296106606 /nfs/dbraw/zinc/10/66/06/296106606.db2.gz GRFIEKDZBZLBPU-JKSUJKDBSA-N 2 1 337.414 1.964 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357867510 296109519 /nfs/dbraw/zinc/10/95/19/296109519.db2.gz VNESAXPLPHNZFQ-QGZVFWFLSA-N 2 1 335.492 1.622 20 0 EDADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc2c1OCO2 ZINC000414784545 304140566 /nfs/dbraw/zinc/14/05/66/304140566.db2.gz ILTAKUGBCFSZSY-AWEZNQCLSA-N 2 1 334.416 1.611 20 0 EDADMP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)CC1 ZINC000414830407 304145717 /nfs/dbraw/zinc/14/57/17/304145717.db2.gz AZEYYCGGIBTUNR-ZBFHGGJFSA-N 2 1 341.496 1.530 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000104831961 204121759 /nfs/dbraw/zinc/12/17/59/204121759.db2.gz KLUVTOBFBARFOT-RBUKOAKNSA-N 2 1 344.503 1.576 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000104831961 204121762 /nfs/dbraw/zinc/12/17/62/204121762.db2.gz KLUVTOBFBARFOT-RBUKOAKNSA-N 2 1 344.503 1.576 20 0 EDADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415143548 304164445 /nfs/dbraw/zinc/16/44/45/304164445.db2.gz AZQZYEFBIOBSJB-HOTGVXAUSA-N 2 1 344.459 1.430 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000415158523 304167688 /nfs/dbraw/zinc/16/76/88/304167688.db2.gz FPLNTKGNXODRIQ-RDJZCZTQSA-N 2 1 344.459 1.287 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000236725948 139029702 /nfs/dbraw/zinc/02/97/02/139029702.db2.gz LEKBOKOUCPQBDD-AEFFLSMTSA-N 2 1 332.492 1.687 20 0 EDADMP CCN(C(=O)C[NH2+]CCOC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000237033959 139038602 /nfs/dbraw/zinc/03/86/02/139038602.db2.gz NJOVKQRLUOZKLQ-FUHWJXTLSA-N 2 1 333.476 1.906 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH2+]3)C2)cc(OC)c1 ZINC000237304746 139047180 /nfs/dbraw/zinc/04/71/80/139047180.db2.gz HUIBPPJIFSFNQQ-QAPCUYQASA-N 2 1 347.459 1.536 20 0 EDADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496207842 284348065 /nfs/dbraw/zinc/34/80/65/284348065.db2.gz RXGJFTPIKPOOKD-MAUKXSAKSA-N 2 1 343.512 1.878 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496207842 284348068 /nfs/dbraw/zinc/34/80/68/284348068.db2.gz RXGJFTPIKPOOKD-MAUKXSAKSA-N 2 1 343.512 1.878 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496207842 284348072 /nfs/dbraw/zinc/34/80/72/284348072.db2.gz RXGJFTPIKPOOKD-MAUKXSAKSA-N 2 1 343.512 1.878 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496207842 284348075 /nfs/dbraw/zinc/34/80/75/284348075.db2.gz RXGJFTPIKPOOKD-MAUKXSAKSA-N 2 1 343.512 1.878 20 0 EDADMP C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000127461755 205101858 /nfs/dbraw/zinc/10/18/58/205101858.db2.gz AONPGJGXEBZBOH-ZWKOTPCHSA-N 2 1 348.535 1.914 20 0 EDADMP C[C@@H](c1ccc(NC(=O)N2CC[NH2+]C[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000415183540 304172103 /nfs/dbraw/zinc/17/21/03/304172103.db2.gz NMDGMTOSMWIVSH-GJZGRUSLSA-N 2 1 332.448 1.905 20 0 EDADMP C[C@@H](c1ccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1)[NH+]1CCOCC1 ZINC000237475158 139052103 /nfs/dbraw/zinc/05/21/03/139052103.db2.gz QWCROHNFFCZXJW-YJBOKZPZSA-N 2 1 347.459 1.787 20 0 EDADMP C[C@@H](c1ccc(NC(=O)NC[C@@H]([NH3+])C2CC2)cc1)[NH+]1CCOCC1 ZINC000415189473 304172865 /nfs/dbraw/zinc/17/28/65/304172865.db2.gz WITFDXLDNPKRDD-SUMWQHHRSA-N 2 1 332.448 1.939 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000132646349 205335906 /nfs/dbraw/zinc/33/59/06/205335906.db2.gz ZMMILWDHJODAHU-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000132646349 205335911 /nfs/dbraw/zinc/33/59/11/205335911.db2.gz ZMMILWDHJODAHU-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@H+](CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000132796470 205342330 /nfs/dbraw/zinc/34/23/30/205342330.db2.gz UUISTHPZYUTVMA-QGZVFWFLSA-N 2 1 344.503 1.798 20 0 EDADMP CC[N@@H+](CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000132796470 205342334 /nfs/dbraw/zinc/34/23/34/205342334.db2.gz UUISTHPZYUTVMA-QGZVFWFLSA-N 2 1 344.503 1.798 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NCC[NH+](C)C)c2)CCO1 ZINC000133527675 205369615 /nfs/dbraw/zinc/36/96/15/205369615.db2.gz HMDBOBPELYNGID-OAHLLOKOSA-N 2 1 334.464 1.268 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NCC[NH+](C)C)c2)CCO1 ZINC000133527675 205369619 /nfs/dbraw/zinc/36/96/19/205369619.db2.gz HMDBOBPELYNGID-OAHLLOKOSA-N 2 1 334.464 1.268 20 0 EDADMP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237908746 139063551 /nfs/dbraw/zinc/06/35/51/139063551.db2.gz JYUNNFHYTCPZGK-ROUUACIJSA-N 2 1 331.460 1.536 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158813669 206210909 /nfs/dbraw/zinc/21/09/09/206210909.db2.gz NAZUJBDRVRKKKA-MJGOQNOKSA-N 2 1 346.519 1.679 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246279120 139102200 /nfs/dbraw/zinc/10/22/00/139102200.db2.gz MKLZCEPKOVPOAL-IPMKNSEASA-N 2 1 345.487 1.911 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246279120 139102201 /nfs/dbraw/zinc/10/22/01/139102201.db2.gz MKLZCEPKOVPOAL-IPMKNSEASA-N 2 1 345.487 1.911 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000162079481 206383677 /nfs/dbraw/zinc/38/36/77/206383677.db2.gz LRINHUBRRRWGQN-TZMCWYRMSA-N 2 1 345.896 1.691 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC[N@H+]1C ZINC000162079481 206383679 /nfs/dbraw/zinc/38/36/79/206383679.db2.gz LRINHUBRRRWGQN-TZMCWYRMSA-N 2 1 345.896 1.691 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000162079560 206384258 /nfs/dbraw/zinc/38/42/58/206384258.db2.gz LRINHUBRRRWGQN-GXTWGEPZSA-N 2 1 345.896 1.691 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC[N@H+]1C ZINC000162079560 206384260 /nfs/dbraw/zinc/38/42/60/206384260.db2.gz LRINHUBRRRWGQN-GXTWGEPZSA-N 2 1 345.896 1.691 20 0 EDADMP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])c2C1 ZINC000415376821 304208144 /nfs/dbraw/zinc/20/81/44/304208144.db2.gz NICRNWXICNPPBG-KBPBESRZSA-N 2 1 346.475 1.839 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247972063 139156655 /nfs/dbraw/zinc/15/66/55/139156655.db2.gz JSSVUQGICXASBI-QWFCFKBJSA-N 2 1 348.487 1.989 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000247972063 139156656 /nfs/dbraw/zinc/15/66/56/139156656.db2.gz JSSVUQGICXASBI-QWFCFKBJSA-N 2 1 348.487 1.989 20 0 EDADMP Cc1nc[nH]c1CNC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261675873 139216580 /nfs/dbraw/zinc/21/65/80/139216580.db2.gz CXRNRQBGSJMKAP-AWEZNQCLSA-N 2 1 337.221 1.971 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000569123937 306497559 /nfs/dbraw/zinc/49/75/59/306497559.db2.gz QRTPZHOISXUBJO-VXIBKDFQSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261769370 139224329 /nfs/dbraw/zinc/22/43/29/139224329.db2.gz IRKYDFCYSMDHMH-SJORKVTESA-N 2 1 345.491 1.098 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000261825989 139229403 /nfs/dbraw/zinc/22/94/03/139229403.db2.gz MUWOYDANEQBZIS-BBWFWOEESA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000261838848 139230544 /nfs/dbraw/zinc/23/05/44/139230544.db2.gz NPDJGTBLZNNGKU-ZWKOTPCHSA-N 2 1 344.503 1.703 20 0 EDADMP c1ncn(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cc2)n1 ZINC000261852120 139231445 /nfs/dbraw/zinc/23/14/45/139231445.db2.gz BGUIUCLCOWWSTE-KZNAEPCWSA-N 2 1 327.432 1.514 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)C1 ZINC000261971707 139240987 /nfs/dbraw/zinc/24/09/87/139240987.db2.gz LNPZESUNROAWHV-QGTPRVQTSA-N 2 1 347.459 1.852 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](c2nc(C3([NH3+])CCC3)no2)CC1=O ZINC000261999437 139242880 /nfs/dbraw/zinc/24/28/80/139242880.db2.gz TYYDFROHOPXXPQ-STQMWFEESA-N 2 1 333.436 1.208 20 0 EDADMP COc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262035043 139245653 /nfs/dbraw/zinc/24/56/53/139245653.db2.gz XWPFFRDCEJRAAX-KZNAEPCWSA-N 2 1 347.459 1.172 20 0 EDADMP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262044840 139246271 /nfs/dbraw/zinc/24/62/71/139246271.db2.gz YYUSSUMHCPFQFT-AQNXPRMDSA-N 3 1 347.503 1.874 20 0 EDADMP FC(F)COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262083904 139249629 /nfs/dbraw/zinc/24/96/29/139249629.db2.gz FQNIPOZMMGHJPT-OAHLLOKOSA-N 2 1 325.403 1.810 20 0 EDADMP COc1cccc([C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)c1 ZINC000174425568 207018121 /nfs/dbraw/zinc/01/81/21/207018121.db2.gz GAIMXYPGHCHBJW-ROUUACIJSA-N 2 1 347.459 1.279 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1ccc(F)cc1 ZINC000174724484 207051185 /nfs/dbraw/zinc/05/11/85/207051185.db2.gz RLZDKIJQXBUBAU-UHFFFAOYSA-N 2 1 336.455 1.724 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000175264500 207110534 /nfs/dbraw/zinc/11/05/34/207110534.db2.gz ZPLXJPZBRIMVOU-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416879952 251118133 /nfs/dbraw/zinc/11/81/33/251118133.db2.gz KMUKZNUHPAFMSI-QGZVFWFLSA-N 2 1 346.475 1.318 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000417012211 251130360 /nfs/dbraw/zinc/13/03/60/251130360.db2.gz WIGJBGVVYQZQDV-UHFFFAOYSA-N 2 1 342.487 1.830 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262317134 139269630 /nfs/dbraw/zinc/26/96/30/139269630.db2.gz UWEMQRFDVDZRHG-KZNAEPCWSA-N 2 1 344.503 1.831 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000262334669 139271066 /nfs/dbraw/zinc/27/10/66/139271066.db2.gz SNPZPWNGINDZFQ-CJNGLKHVSA-N 2 1 337.489 1.453 20 0 EDADMP CC[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@H+]1CCOC ZINC000262365465 139273612 /nfs/dbraw/zinc/27/36/12/139273612.db2.gz VZQNIQZMVJYCPU-MTCSXPRVSA-N 2 1 337.508 1.709 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417567533 251190847 /nfs/dbraw/zinc/19/08/47/251190847.db2.gz NWISUJHRHXQKSF-KRWDZBQOSA-N 2 1 340.512 1.648 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000262379376 139274614 /nfs/dbraw/zinc/27/46/14/139274614.db2.gz MUIFHOLKJLMQHM-NJAFHUGGSA-N 2 1 331.460 1.392 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2)[nH+]1 ZINC000417699982 251234052 /nfs/dbraw/zinc/23/40/52/251234052.db2.gz LMOGGDRNTJMMMR-CJNGLKHVSA-N 2 1 331.464 1.656 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000417670998 251222326 /nfs/dbraw/zinc/22/23/26/251222326.db2.gz PLFMMOCNGDOQTD-IEBWSBKVSA-N 2 1 348.466 1.994 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000417670998 251222329 /nfs/dbraw/zinc/22/23/29/251222329.db2.gz PLFMMOCNGDOQTD-IEBWSBKVSA-N 2 1 348.466 1.994 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000417673159 251222821 /nfs/dbraw/zinc/22/28/21/251222821.db2.gz VKCFCUQXMAGBNA-IKGGRYGDSA-N 2 1 340.512 1.422 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000262419683 139277968 /nfs/dbraw/zinc/27/79/68/139277968.db2.gz ZZOJIFRKVDOSQU-FMKPAKJESA-N 2 1 337.489 1.453 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000262419683 139277969 /nfs/dbraw/zinc/27/79/69/139277969.db2.gz ZZOJIFRKVDOSQU-FMKPAKJESA-N 2 1 337.489 1.453 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000417725870 251245267 /nfs/dbraw/zinc/24/52/67/251245267.db2.gz GRZBKUURDSHTMU-MRXNPFEDSA-N 2 1 331.464 1.752 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262444508 139279420 /nfs/dbraw/zinc/27/94/20/139279420.db2.gz VGDSSHPCTBWCCB-HNAWSFBYSA-N 2 1 345.487 1.638 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000417749741 251254600 /nfs/dbraw/zinc/25/46/00/251254600.db2.gz JNKHWWXMTOEFSA-RDJZCZTQSA-N 2 1 339.528 1.077 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H](C)CCCC[NH3+])CC2)nc(C)[nH+]1 ZINC000417842044 251294023 /nfs/dbraw/zinc/29/40/23/251294023.db2.gz GLDYGZJQRVUARV-ZDUSSCGKSA-N 2 1 348.495 1.879 20 0 EDADMP C[C@H]([NH3+])[C@H](C)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000262487541 139281916 /nfs/dbraw/zinc/28/19/16/139281916.db2.gz VORLSEQGTGFMID-KBPBESRZSA-N 2 1 338.883 1.562 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417823466 251284048 /nfs/dbraw/zinc/28/40/48/251284048.db2.gz KXDAOVUBAURHSX-AITUJVMLSA-N 2 1 342.487 1.900 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000417851425 251297515 /nfs/dbraw/zinc/29/75/15/251297515.db2.gz YPKAPOHGYBPZGL-OQIJWPOYSA-N 2 1 342.487 1.900 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000418435540 251370275 /nfs/dbraw/zinc/37/02/75/251370275.db2.gz HOPRNBDEMYVSCA-CQSZACIVSA-N 2 1 326.485 1.399 20 0 EDADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC(F)(F)C[NH3+])[NH+](C)C ZINC000418193347 251352658 /nfs/dbraw/zinc/35/26/58/251352658.db2.gz ZKJMPKRKJHPGGB-GXTWGEPZSA-N 2 1 328.407 1.879 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000418680480 251384563 /nfs/dbraw/zinc/38/45/63/251384563.db2.gz XTBSJQDXRWTPMX-BGTYHANMSA-N 2 1 334.508 1.890 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000262799100 139304412 /nfs/dbraw/zinc/30/44/12/139304412.db2.gz DWAAUFQOHREABB-YJBOKZPZSA-N 2 1 330.476 1.304 20 0 EDADMP COc1cccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423004935 252024625 /nfs/dbraw/zinc/02/46/25/252024625.db2.gz QISGKTUIVWWLJT-QRVBRYPASA-N 2 1 334.460 1.959 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)n(C)n1 ZINC000423075145 252034745 /nfs/dbraw/zinc/03/47/45/252034745.db2.gz NVCZSRKFABRTCR-FJIDUMEYSA-N 2 1 347.507 1.444 20 0 EDADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000423482348 252055512 /nfs/dbraw/zinc/05/55/12/252055512.db2.gz QSFXCNPYIPMFIG-YPMHNXCESA-N 2 1 347.431 1.954 20 0 EDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000422912456 252019917 /nfs/dbraw/zinc/01/99/17/252019917.db2.gz WDYFJYNFHWJYIM-AEFFLSMTSA-N 2 1 338.540 1.830 20 0 EDADMP [NH3+]CC1(CC(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000424025131 252117421 /nfs/dbraw/zinc/11/74/21/252117421.db2.gz YFFOHZVRZMUQSB-UHFFFAOYSA-N 2 1 330.476 1.225 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000424149233 252145148 /nfs/dbraw/zinc/14/51/48/252145148.db2.gz VYTRIKJNIOINKB-RBSFLKMASA-N 2 1 333.480 1.442 20 0 EDADMP [NH3+][C@H]1CCc2ncc(NC(=O)c3c[nH]nc3[C@@H]3CCC[NH2+]C3)cc2C1 ZINC000424154505 252147950 /nfs/dbraw/zinc/14/79/50/252147950.db2.gz MNQIBSHADQIBNI-YPMHNXCESA-N 2 1 340.431 1.340 20 0 EDADMP COC(=O)CC1CC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000424252295 252178915 /nfs/dbraw/zinc/17/89/15/252178915.db2.gz CZQOZEBQSWZMJO-UHFFFAOYSA-N 2 1 332.444 1.950 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302568 252193948 /nfs/dbraw/zinc/19/39/48/252193948.db2.gz ZXLVQUZVYBBWJH-MRXNPFEDSA-N 2 1 345.487 1.913 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000112318852 220303345 /nfs/dbraw/zinc/30/33/45/220303345.db2.gz OBOXUOYOAYKLPA-UHFFFAOYSA-N 2 1 346.475 1.791 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)N[C@H]3CC[NH2+]C3)CC2)oc1C ZINC000570225351 306534003 /nfs/dbraw/zinc/53/40/03/306534003.db2.gz HVHQZRRAFQSMBC-HNNXBMFYSA-N 2 1 335.452 1.165 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418716564 285244980 /nfs/dbraw/zinc/24/49/80/285244980.db2.gz SDTWLFSOWGBMDK-KGLIPLIRSA-N 3 1 349.470 1.026 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418584263 285245123 /nfs/dbraw/zinc/24/51/23/285245123.db2.gz ODZVKKMWGHGZFO-BRWVUGGUSA-N 3 1 339.528 1.314 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000341059569 285245282 /nfs/dbraw/zinc/24/52/82/285245282.db2.gz XEXMLYBXSHODGR-DLBZAZTESA-N 3 1 341.544 1.384 20 0 EDADMP O=C(CC[C@H]1CCC[NH2+]1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000494698752 255258738 /nfs/dbraw/zinc/25/87/38/255258738.db2.gz KRMQPSKIBGPMGZ-QGZVFWFLSA-N 2 1 345.491 1.242 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000118115026 221120347 /nfs/dbraw/zinc/12/03/47/221120347.db2.gz ULNIGDIQCFKONC-UHFFFAOYSA-N 2 1 332.448 1.419 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000118115026 221120349 /nfs/dbraw/zinc/12/03/49/221120349.db2.gz ULNIGDIQCFKONC-UHFFFAOYSA-N 2 1 332.448 1.419 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000118115026 221120350 /nfs/dbraw/zinc/12/03/50/221120350.db2.gz ULNIGDIQCFKONC-UHFFFAOYSA-N 2 1 332.448 1.419 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000118115026 221120353 /nfs/dbraw/zinc/12/03/53/221120353.db2.gz ULNIGDIQCFKONC-UHFFFAOYSA-N 2 1 332.448 1.419 20 0 EDADMP C[C@@H](NC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000264280438 139392962 /nfs/dbraw/zinc/39/29/62/139392962.db2.gz GXJVGPIKNJAKEQ-DLBZAZTESA-N 2 1 347.503 1.888 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000264280441 139393092 /nfs/dbraw/zinc/39/30/92/139393092.db2.gz GXJVGPIKNJAKEQ-SJORKVTESA-N 2 1 347.503 1.888 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@H](C)O1 ZINC000416050450 304287361 /nfs/dbraw/zinc/28/73/61/304287361.db2.gz RTVDVVVDHDTASH-GRYCIOLGSA-N 2 1 340.390 1.017 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@H](C)O1 ZINC000416050450 304287362 /nfs/dbraw/zinc/28/73/62/304287362.db2.gz RTVDVVVDHDTASH-GRYCIOLGSA-N 2 1 340.390 1.017 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1cnn(C)c1C ZINC000270212245 140060929 /nfs/dbraw/zinc/06/09/29/140060929.db2.gz OFEQBKSZYCHMNP-QZEKMECESA-N 2 1 347.507 1.616 20 0 EDADMP C[NH+](C)C/C=C/C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000270942711 140204360 /nfs/dbraw/zinc/20/43/60/140204360.db2.gz WPTQZDAIVKRCBU-WMHOYKDJSA-N 2 1 331.460 1.103 20 0 EDADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000271890273 140367648 /nfs/dbraw/zinc/36/76/48/140367648.db2.gz VRHAJIKZZUMNGE-CQSZACIVSA-N 2 1 325.478 1.861 20 0 EDADMP C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1C1CC1 ZINC000331504565 141040103 /nfs/dbraw/zinc/04/01/03/141040103.db2.gz LZZNZZJYVAXWFT-UKRRQHHQSA-N 2 1 337.489 1.652 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC000332875522 141242265 /nfs/dbraw/zinc/24/22/65/141242265.db2.gz OYRHQRXDJWYPMI-BFZKSOEOSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000333123089 141267562 /nfs/dbraw/zinc/26/75/62/141267562.db2.gz ASXIWLVROQENRL-KFWWJZLASA-N 2 1 326.485 1.173 20 0 EDADMP C[C@@H]1C[C@H](C[N@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC[NH2+]1 ZINC000333140659 141270750 /nfs/dbraw/zinc/27/07/50/141270750.db2.gz KVXWHUZKVCHGTL-QLFBSQMISA-N 2 1 329.452 1.023 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000333465973 141321701 /nfs/dbraw/zinc/32/17/01/141321701.db2.gz ZXJQAIDPOLXEIY-JKSUJKDBSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333810118 141385790 /nfs/dbraw/zinc/38/57/90/141385790.db2.gz FKJFSZNHBBEITN-YVSFHVDLSA-N 2 1 335.492 1.382 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCn1ccnc1 ZINC000339526273 142066171 /nfs/dbraw/zinc/06/61/71/142066171.db2.gz CJYSSBZGHRLBLS-MRXNPFEDSA-N 2 1 349.479 1.160 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000340374832 142365137 /nfs/dbraw/zinc/36/51/37/142365137.db2.gz POTHDKWNBBFRAD-HKUYNNGSSA-N 2 1 330.476 1.186 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000345641284 143115474 /nfs/dbraw/zinc/11/54/74/143115474.db2.gz OMDPWIHWMQCQMV-IRXDYDNUSA-N 2 1 337.439 1.654 20 0 EDADMP CC(C)[C@H](O)C1(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000345702076 143123317 /nfs/dbraw/zinc/12/33/17/143123317.db2.gz GDMMPYSJELMEEL-INIZCTEOSA-N 2 1 333.480 1.115 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]([NH3+])CC(F)F)CC2)nc(C)[nH+]1 ZINC000345710041 143124112 /nfs/dbraw/zinc/12/41/12/143124112.db2.gz JRRZWGUCRASOEN-LBPRGKRZSA-N 2 1 327.379 1.161 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC000345760090 143130043 /nfs/dbraw/zinc/13/00/43/143130043.db2.gz MQIZGBJLZKZOCG-IJEWVQPXSA-N 2 1 328.526 1.548 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC000345986354 143154225 /nfs/dbraw/zinc/15/42/25/143154225.db2.gz QQKZPLGFUNAKIT-MRXNPFEDSA-N 2 1 340.512 1.214 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC000346580532 143218489 /nfs/dbraw/zinc/21/84/89/143218489.db2.gz YCEAYDZDCVRLMC-INIZCTEOSA-N 2 1 340.512 1.517 20 0 EDADMP COC(=O)c1coc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000346662197 143228368 /nfs/dbraw/zinc/22/83/68/143228368.db2.gz BMZZSUBIZXDNAT-BBRMVZONSA-N 2 1 349.431 1.146 20 0 EDADMP CCOCCN1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1CC ZINC000346818194 143248737 /nfs/dbraw/zinc/24/87/37/143248737.db2.gz GQKHORUBZINSMN-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C[C@@H]1CC ZINC000346818194 143248738 /nfs/dbraw/zinc/24/87/38/143248738.db2.gz GQKHORUBZINSMN-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1CC ZINC000346818194 143248740 /nfs/dbraw/zinc/24/87/40/143248740.db2.gz GQKHORUBZINSMN-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1CC ZINC000346818194 143248741 /nfs/dbraw/zinc/24/87/41/143248741.db2.gz GQKHORUBZINSMN-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000346954293 143265673 /nfs/dbraw/zinc/26/56/73/143265673.db2.gz AVHZQDGOKRGDJO-GJZGRUSLSA-N 2 1 337.468 1.284 20 0 EDADMP CO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000346954293 143265674 /nfs/dbraw/zinc/26/56/74/143265674.db2.gz AVHZQDGOKRGDJO-GJZGRUSLSA-N 2 1 337.468 1.284 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000347017443 143272093 /nfs/dbraw/zinc/27/20/93/143272093.db2.gz DPFOWPDJQDLDNR-CYBMUJFWSA-N 2 1 333.461 1.221 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C ZINC000347241643 143299213 /nfs/dbraw/zinc/29/92/13/143299213.db2.gz DPRAMHXWDJQPAU-IKGGRYGDSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000347241643 143299214 /nfs/dbraw/zinc/29/92/14/143299214.db2.gz DPRAMHXWDJQPAU-IKGGRYGDSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000347241643 143299215 /nfs/dbraw/zinc/29/92/15/143299215.db2.gz DPRAMHXWDJQPAU-IKGGRYGDSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C)C(C)C ZINC000347752187 143358214 /nfs/dbraw/zinc/35/82/14/143358214.db2.gz BURRHQDBGXJLJM-HOTGVXAUSA-N 2 1 340.512 1.163 20 0 EDADMP CCCCOC(=O)CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000369766810 155169514 /nfs/dbraw/zinc/16/95/14/155169514.db2.gz ODNWTTHPLTUGRT-SJORKVTESA-N 2 1 325.497 1.678 20 0 EDADMP c1cc2c(s1)CCN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C2 ZINC000261962881 296609243 /nfs/dbraw/zinc/60/92/43/296609243.db2.gz PSXUHAWCOFOSRP-GVDBMIGSSA-N 2 1 335.517 1.853 20 0 EDADMP CCc1ccc([C@@H](CNC(=O)NCC(F)(F)C[NH3+])[NH+](C)C)cc1 ZINC000416846522 304351722 /nfs/dbraw/zinc/35/17/22/304351722.db2.gz UHQSIVPMYGTAMH-CQSZACIVSA-N 2 1 328.407 1.745 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000352672778 149112163 /nfs/dbraw/zinc/11/21/63/149112163.db2.gz AQCDXIRZNMJQFV-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000352672778 149112164 /nfs/dbraw/zinc/11/21/64/149112164.db2.gz AQCDXIRZNMJQFV-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000352672778 149112166 /nfs/dbraw/zinc/11/21/66/149112166.db2.gz AQCDXIRZNMJQFV-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP Clc1c[nH+]ccc1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000352745633 149147146 /nfs/dbraw/zinc/14/71/46/149147146.db2.gz LJHMEAAFJWDMLQ-UHFFFAOYSA-N 2 1 346.866 1.961 20 0 EDADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000353094204 149284031 /nfs/dbraw/zinc/28/40/31/149284031.db2.gz UWVPSIBNIYABBU-HZGVLFEQSA-N 2 1 334.508 1.285 20 0 EDADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C[N@H+]1C1CC1 ZINC000353094204 149284033 /nfs/dbraw/zinc/28/40/33/149284033.db2.gz UWVPSIBNIYABBU-HZGVLFEQSA-N 2 1 334.508 1.285 20 0 EDADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[NH+]1C1CC1 ZINC000353094204 149284034 /nfs/dbraw/zinc/28/40/34/149284034.db2.gz UWVPSIBNIYABBU-HZGVLFEQSA-N 2 1 334.508 1.285 20 0 EDADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[NH+]1C1CC1 ZINC000353094204 149284037 /nfs/dbraw/zinc/28/40/37/149284037.db2.gz UWVPSIBNIYABBU-HZGVLFEQSA-N 2 1 334.508 1.285 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355267485 150192096 /nfs/dbraw/zinc/19/20/96/150192096.db2.gz DISGRMZXPKREQB-CVEARBPZSA-N 2 1 340.512 1.214 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC000355383028 150245598 /nfs/dbraw/zinc/24/55/98/150245598.db2.gz KJSZNLZFJZUPPR-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000355501875 150295121 /nfs/dbraw/zinc/29/51/21/150295121.db2.gz CZBLYFOEWKBIBI-OFQRWUPVSA-N 2 1 349.479 1.034 20 0 EDADMP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000355501875 150295123 /nfs/dbraw/zinc/29/51/23/150295123.db2.gz CZBLYFOEWKBIBI-OFQRWUPVSA-N 2 1 349.479 1.034 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000357039159 150898985 /nfs/dbraw/zinc/89/89/85/150898985.db2.gz MTZAOMJZBXALIE-INIZCTEOSA-N 2 1 340.512 1.374 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)C1 ZINC000357506617 151051090 /nfs/dbraw/zinc/05/10/90/151051090.db2.gz ZJCUEKOFGWLEST-CVEARBPZSA-N 2 1 333.432 1.731 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)C1 ZINC000357506617 151051091 /nfs/dbraw/zinc/05/10/91/151051091.db2.gz ZJCUEKOFGWLEST-CVEARBPZSA-N 2 1 333.432 1.731 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000357960637 151212156 /nfs/dbraw/zinc/21/21/56/151212156.db2.gz QOASTKJTFYAPNC-HOTGVXAUSA-N 2 1 327.517 1.042 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000357960637 151212161 /nfs/dbraw/zinc/21/21/61/151212161.db2.gz QOASTKJTFYAPNC-HOTGVXAUSA-N 2 1 327.517 1.042 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000357960637 151212162 /nfs/dbraw/zinc/21/21/62/151212162.db2.gz QOASTKJTFYAPNC-HOTGVXAUSA-N 2 1 327.517 1.042 20 0 EDADMP COc1ccc(NC(=O)CC[NH+]2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000357985808 151223293 /nfs/dbraw/zinc/22/32/93/151223293.db2.gz CAMMRIFRCHMZRE-OAHLLOKOSA-N 2 1 349.475 1.801 20 0 EDADMP COc1ccc(NC(=O)CC[NH+]2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000357985808 151223296 /nfs/dbraw/zinc/22/32/96/151223296.db2.gz CAMMRIFRCHMZRE-OAHLLOKOSA-N 2 1 349.475 1.801 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000358073270 151259717 /nfs/dbraw/zinc/25/97/17/151259717.db2.gz BKMSVTMXJAEZMX-PKOBYXMFSA-N 2 1 331.460 1.224 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000358073270 151259718 /nfs/dbraw/zinc/25/97/18/151259718.db2.gz BKMSVTMXJAEZMX-PKOBYXMFSA-N 2 1 331.460 1.224 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000358073270 151259720 /nfs/dbraw/zinc/25/97/20/151259720.db2.gz BKMSVTMXJAEZMX-PKOBYXMFSA-N 2 1 331.460 1.224 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCOCC2)[C@H](C)C1 ZINC000358151720 151289451 /nfs/dbraw/zinc/28/94/51/151289451.db2.gz FWKSXLKMDLBNDW-NJAFHUGGSA-N 2 1 328.497 1.501 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000358250195 151317501 /nfs/dbraw/zinc/31/75/01/151317501.db2.gz LBSXBTWDUNKCRF-HZPDHXFCSA-N 2 1 339.277 1.963 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000358250195 151317504 /nfs/dbraw/zinc/31/75/04/151317504.db2.gz LBSXBTWDUNKCRF-HZPDHXFCSA-N 2 1 339.277 1.963 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000358277572 151324905 /nfs/dbraw/zinc/32/49/05/151324905.db2.gz PSAWHSQNJRGYIW-KRWDZBQOSA-N 2 1 340.512 1.349 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000358277572 151324907 /nfs/dbraw/zinc/32/49/07/151324907.db2.gz PSAWHSQNJRGYIW-KRWDZBQOSA-N 2 1 340.512 1.349 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000358277572 151324910 /nfs/dbraw/zinc/32/49/10/151324910.db2.gz PSAWHSQNJRGYIW-KRWDZBQOSA-N 2 1 340.512 1.349 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000358303907 151331647 /nfs/dbraw/zinc/33/16/47/151331647.db2.gz BQWIWTLFJARPAV-INIZCTEOSA-N 2 1 330.432 1.366 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000358419813 151368655 /nfs/dbraw/zinc/36/86/55/151368655.db2.gz JMPSYSWFVOCDPJ-SJORKVTESA-N 2 1 342.528 1.763 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000358419813 151368657 /nfs/dbraw/zinc/36/86/57/151368657.db2.gz JMPSYSWFVOCDPJ-SJORKVTESA-N 2 1 342.528 1.763 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000358419813 151368659 /nfs/dbraw/zinc/36/86/59/151368659.db2.gz JMPSYSWFVOCDPJ-SJORKVTESA-N 2 1 342.528 1.763 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000358481018 151390836 /nfs/dbraw/zinc/39/08/36/151390836.db2.gz OPFOTVYVIRDTPX-UHFFFAOYSA-N 2 1 341.544 1.386 20 0 EDADMP CN(CCCN(C)C(=O)NCC1([NH+](C)C)CCCC1)CC[NH+](C)C ZINC000358481018 151390837 /nfs/dbraw/zinc/39/08/37/151390837.db2.gz OPFOTVYVIRDTPX-UHFFFAOYSA-N 2 1 341.544 1.386 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000417093585 304372094 /nfs/dbraw/zinc/37/20/94/304372094.db2.gz BRYSCWHVKGXSOL-IIAWOOMASA-N 2 1 348.516 1.888 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000417093585 304372097 /nfs/dbraw/zinc/37/20/97/304372097.db2.gz BRYSCWHVKGXSOL-IIAWOOMASA-N 2 1 348.516 1.888 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000359262452 151661296 /nfs/dbraw/zinc/66/12/96/151661296.db2.gz MIYCHLWHKAKELU-OAHLLOKOSA-N 2 1 340.512 1.023 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)N(C)CC[NH3+])C[C@H](C)O1 ZINC000417117515 304374244 /nfs/dbraw/zinc/37/42/44/304374244.db2.gz SGWHVHYPLLWUGO-GJZGRUSLSA-N 2 1 334.464 1.396 20 0 EDADMP CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000360562479 152097397 /nfs/dbraw/zinc/09/73/97/152097397.db2.gz RPSWZZGQRYTNBK-OALUTQOASA-N 2 1 347.503 1.935 20 0 EDADMP CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000360562479 152097400 /nfs/dbraw/zinc/09/74/00/152097400.db2.gz RPSWZZGQRYTNBK-OALUTQOASA-N 2 1 347.503 1.935 20 0 EDADMP CSC1(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC[NH+](C)CC1 ZINC000360698745 152158593 /nfs/dbraw/zinc/15/85/93/152158593.db2.gz WSPIJJXCPKPXQC-HNNXBMFYSA-N 2 1 342.553 1.797 20 0 EDADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000360720184 152169274 /nfs/dbraw/zinc/16/92/74/152169274.db2.gz YNVIPEAHDLKHSV-PBHICJAKSA-N 2 1 337.489 1.656 20 0 EDADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000360720184 152169279 /nfs/dbraw/zinc/16/92/79/152169279.db2.gz YNVIPEAHDLKHSV-PBHICJAKSA-N 2 1 337.489 1.656 20 0 EDADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c(Cl)c1 ZINC000361219442 152338257 /nfs/dbraw/zinc/33/82/57/152338257.db2.gz DBSAEPSPGAAPKC-QWHCGFSZSA-N 2 1 327.856 1.878 20 0 EDADMP CCS(=O)(=O)NCCC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362107974 152616307 /nfs/dbraw/zinc/61/63/07/152616307.db2.gz ZPYOQXWZNXYYGE-HNNXBMFYSA-N 2 1 343.537 1.512 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)[NH+]1CCCCC1 ZINC000363743282 153043778 /nfs/dbraw/zinc/04/37/78/153043778.db2.gz JAADARYMUPBDMQ-QGZVFWFLSA-N 2 1 339.524 1.802 20 0 EDADMP C[C@H]1C[N@@H+](CCO[C@H]2CCCCO2)CCN1C1CC[NH+](C)CC1 ZINC000364461280 153243740 /nfs/dbraw/zinc/24/37/40/153243740.db2.gz LIMGORZYDKMUHY-WMZOPIPTSA-N 2 1 325.497 1.630 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417226024 304385990 /nfs/dbraw/zinc/38/59/90/304385990.db2.gz ZKMRBOCVQZLGNK-BGTYHANMSA-N 2 1 328.460 1.683 20 0 EDADMP COC[C@@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000367212007 154043352 /nfs/dbraw/zinc/04/33/52/154043352.db2.gz GWPMCBDNTHPTIF-QGZVFWFLSA-N 2 1 333.476 1.654 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c(C)cnn3C)CC2)CC1 ZINC000367378361 154095021 /nfs/dbraw/zinc/09/50/21/154095021.db2.gz RDUFJMNGTPGYHY-UHFFFAOYSA-N 2 1 347.507 1.495 20 0 EDADMP O[C@@H](CN[C@H]1CCCc2n[nH]cc21)C[N@@H+]1CCc2ccccc2C1 ZINC000367551585 154171162 /nfs/dbraw/zinc/17/11/62/154171162.db2.gz LANYZZYMHKKUER-WMZOPIPTSA-N 2 1 326.444 1.796 20 0 EDADMP O[C@@H](CN[C@H]1CCCc2n[nH]cc21)C[N@H+]1CCc2ccccc2C1 ZINC000367551585 154171165 /nfs/dbraw/zinc/17/11/65/154171165.db2.gz LANYZZYMHKKUER-WMZOPIPTSA-N 2 1 326.444 1.796 20 0 EDADMP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)ccn2)CC1 ZINC000367588215 154189091 /nfs/dbraw/zinc/18/90/91/154189091.db2.gz LNADKZOVMYSZIT-QRVBRYPASA-N 3 1 343.519 1.796 20 0 EDADMP CN1CCN(c2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)ccn2)CC1 ZINC000367588215 154189094 /nfs/dbraw/zinc/18/90/94/154189094.db2.gz LNADKZOVMYSZIT-QRVBRYPASA-N 2 1 343.519 1.796 20 0 EDADMP CN1CCN(c2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)ccn2)CC1 ZINC000367588215 154189096 /nfs/dbraw/zinc/18/90/96/154189096.db2.gz LNADKZOVMYSZIT-QRVBRYPASA-N 2 1 343.519 1.796 20 0 EDADMP CC(C)[C@@H](O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367594927 154192873 /nfs/dbraw/zinc/19/28/73/154192873.db2.gz MLLBVIBNCVKGEW-GOSISDBHSA-N 2 1 339.524 1.658 20 0 EDADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367659999 154218136 /nfs/dbraw/zinc/21/81/36/154218136.db2.gz LYUUNDCMIXHNNV-SJORKVTESA-N 2 1 338.540 1.639 20 0 EDADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367659999 154218138 /nfs/dbraw/zinc/21/81/38/154218138.db2.gz LYUUNDCMIXHNNV-SJORKVTESA-N 2 1 338.540 1.639 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H]1CCCSC1 ZINC000367783635 154268883 /nfs/dbraw/zinc/26/88/83/154268883.db2.gz MYRGUVDLNSGDAE-HNNXBMFYSA-N 2 1 337.537 1.856 20 0 EDADMP COC(=O)C1=C(C)O[C@H](C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000367949272 154338763 /nfs/dbraw/zinc/33/87/63/154338763.db2.gz CFNYNHBKBHLAPW-YQFWSFKMSA-N 2 1 338.448 1.406 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(C)(C)CN1CCn2ccnc2C1 ZINC000367953012 154340854 /nfs/dbraw/zinc/34/08/54/154340854.db2.gz XRIIVUOIDXLVJU-HZPDHXFCSA-N 2 1 347.507 1.524 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000367953012 154340857 /nfs/dbraw/zinc/34/08/57/154340857.db2.gz XRIIVUOIDXLVJU-HZPDHXFCSA-N 2 1 347.507 1.524 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000367953012 154340861 /nfs/dbraw/zinc/34/08/61/154340861.db2.gz XRIIVUOIDXLVJU-HZPDHXFCSA-N 2 1 347.507 1.524 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000367953012 154340864 /nfs/dbraw/zinc/34/08/64/154340864.db2.gz XRIIVUOIDXLVJU-HZPDHXFCSA-N 2 1 347.507 1.524 20 0 EDADMP C[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000417340349 304392434 /nfs/dbraw/zinc/39/24/34/304392434.db2.gz MEJCGGUGZRKAQU-HNAYVOBHSA-N 2 1 342.487 1.969 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@H]1C ZINC000369547214 155082484 /nfs/dbraw/zinc/08/24/84/155082484.db2.gz RQJIJJZDJHNDNV-XNIRIUNOSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H](NC(=O)C1(N2CCN(C)CC2)CCCC1)C1=CC[N@@H+](C)CC1 ZINC000371652717 156046227 /nfs/dbraw/zinc/04/62/27/156046227.db2.gz ZDXPRBJGJDVOBH-MRXNPFEDSA-N 2 1 334.508 1.313 20 0 EDADMP C[C@@H](NC(=O)C1([NH+]2CCN(C)CC2)CCCC1)C1=CC[N@H+](C)CC1 ZINC000371652717 156046232 /nfs/dbraw/zinc/04/62/32/156046232.db2.gz ZDXPRBJGJDVOBH-MRXNPFEDSA-N 2 1 334.508 1.313 20 0 EDADMP C[C@@H](NC(=O)C1([NH+]2CCN(C)CC2)CCCC1)C1=CC[N@@H+](C)CC1 ZINC000371652717 156046236 /nfs/dbraw/zinc/04/62/36/156046236.db2.gz ZDXPRBJGJDVOBH-MRXNPFEDSA-N 2 1 334.508 1.313 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cn1 ZINC000371817237 156119542 /nfs/dbraw/zinc/11/95/42/156119542.db2.gz VAHLWZCMXMNBFH-UHFFFAOYSA-N 2 1 327.432 1.924 20 0 EDADMP c1cc(N2CCC([NH2+]C3CCCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000371991008 156199222 /nfs/dbraw/zinc/19/92/22/156199222.db2.gz ISBRWLQVCYIGGJ-UHFFFAOYSA-N 2 1 331.464 1.814 20 0 EDADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372314139 156326424 /nfs/dbraw/zinc/32/64/24/156326424.db2.gz YVQSXBHTLWPRFZ-DLBZAZTESA-N 2 1 346.475 1.313 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372336185 156338660 /nfs/dbraw/zinc/33/86/60/156338660.db2.gz DTDZLBJGYCYLMA-KVSKMBFKSA-N 2 1 328.460 1.954 20 0 EDADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372367761 156355468 /nfs/dbraw/zinc/35/54/68/156355468.db2.gz HRIXACANMYJPQG-QGZVFWFLSA-N 2 1 325.497 1.679 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)C[C@H](C)O1 ZINC000372419658 156380683 /nfs/dbraw/zinc/38/06/83/156380683.db2.gz DOLVPDNIAVOANK-BBWFWOEESA-N 2 1 349.519 1.819 20 0 EDADMP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000372428893 156386031 /nfs/dbraw/zinc/38/60/31/156386031.db2.gz WAQSEUXBASRMNH-UKRRQHHQSA-N 2 1 349.397 1.099 20 0 EDADMP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000372428892 156386571 /nfs/dbraw/zinc/38/65/71/156386571.db2.gz WAQSEUXBASRMNH-HIFRSBDPSA-N 2 1 349.397 1.099 20 0 EDADMP C[C@@H]1CN(CC[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000374290993 157227832 /nfs/dbraw/zinc/22/78/32/157227832.db2.gz AORUAOOQRWXUND-MRXNPFEDSA-N 2 1 325.497 1.282 20 0 EDADMP C[C@@H]1CN(CC[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000374290993 157227837 /nfs/dbraw/zinc/22/78/37/157227837.db2.gz AORUAOOQRWXUND-MRXNPFEDSA-N 2 1 325.497 1.282 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000374368642 157263160 /nfs/dbraw/zinc/26/31/60/157263160.db2.gz XIYIMBZDUCFHSY-SJLPKXTDSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000374368642 157263164 /nfs/dbraw/zinc/26/31/64/157263164.db2.gz XIYIMBZDUCFHSY-SJLPKXTDSA-N 2 1 346.475 1.319 20 0 EDADMP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[NH2+]C[C@H]1C(F)F ZINC000575805972 306672280 /nfs/dbraw/zinc/67/22/80/306672280.db2.gz SCMFUQBSTGJSNQ-HNNXBMFYSA-N 2 1 332.354 1.926 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3c[nH]c4nccnc34)C2)CC1 ZINC000378128026 158086132 /nfs/dbraw/zinc/08/61/32/158086132.db2.gz HRIGONLZFFJCSH-HNNXBMFYSA-N 2 1 328.464 1.369 20 0 EDADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423302386 304891853 /nfs/dbraw/zinc/89/18/53/304891853.db2.gz HHYHDIZGBYXVPK-SFYZADRCSA-N 2 1 340.276 1.886 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000352341322 162128563 /nfs/dbraw/zinc/12/85/63/162128563.db2.gz WZVZDILEHQUJHL-ULQDDVLXSA-N 2 1 340.512 1.203 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000352429820 162177449 /nfs/dbraw/zinc/17/74/49/162177449.db2.gz COOZFGBLZLAXIR-OALUTQOASA-N 2 1 348.535 1.489 20 0 EDADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1CCOC1 ZINC000156899048 287041081 /nfs/dbraw/zinc/04/10/81/287041081.db2.gz AWHPUKFOJFCJOO-MNEFBYGVSA-N 2 1 345.487 1.899 20 0 EDADMP CC(C)[NH+](CCNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000073440884 287259814 /nfs/dbraw/zinc/25/98/14/287259814.db2.gz GVKXXEORGHYKQM-KRWDZBQOSA-N 2 1 341.544 1.288 20 0 EDADMP CC(C)[NH+](CCCNC(=O)NC[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000080702116 287308686 /nfs/dbraw/zinc/30/86/86/287308686.db2.gz QQXNRSHBMYDFNA-KRWDZBQOSA-N 2 1 342.528 1.763 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000081568319 287314232 /nfs/dbraw/zinc/31/42/32/287314232.db2.gz DXLHHJYMPLYWKY-KRWDZBQOSA-N 2 1 338.540 1.639 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000665758391 452328453 /nfs/dbraw/zinc/32/84/53/452328453.db2.gz HAQMCMSNNPMGQZ-HRCADAONSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000665758391 452328476 /nfs/dbraw/zinc/32/84/76/452328476.db2.gz HAQMCMSNNPMGQZ-HRCADAONSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273062211 273026721 /nfs/dbraw/zinc/02/67/21/273026721.db2.gz JEKLJSRRPDOVCJ-PKOBYXMFSA-N 2 1 345.487 1.688 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000275106374 268281961 /nfs/dbraw/zinc/28/19/61/268281961.db2.gz BBBKQEQHGNUPLQ-KRWDZBQOSA-N 2 1 345.487 1.424 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)N3CCN(C)CC3)C2)[nH+]1 ZINC000275305750 268319039 /nfs/dbraw/zinc/31/90/39/268319039.db2.gz QSZKNXNHRFSVKD-QGZVFWFLSA-N 2 1 345.491 1.288 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)N3CCN(C)CC3)C2)[nH+]1 ZINC000275305750 268319040 /nfs/dbraw/zinc/31/90/40/268319040.db2.gz QSZKNXNHRFSVKD-QGZVFWFLSA-N 2 1 345.491 1.288 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176591476 272938318 /nfs/dbraw/zinc/93/83/18/272938318.db2.gz UMQSNKHQADZRMM-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000277120636 273180775 /nfs/dbraw/zinc/18/07/75/273180775.db2.gz HTZJKOXWYAGWMG-AWEZNQCLSA-N 2 1 341.477 1.129 20 0 EDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000277120636 273180777 /nfs/dbraw/zinc/18/07/77/273180777.db2.gz HTZJKOXWYAGWMG-AWEZNQCLSA-N 2 1 341.477 1.129 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000277677574 273215496 /nfs/dbraw/zinc/21/54/96/273215496.db2.gz UYLOQALSVBLKAL-LAVFITLUSA-N 2 1 331.460 1.221 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000279540505 273305142 /nfs/dbraw/zinc/30/51/42/273305142.db2.gz AIEXSCMAHHVIGX-UHFFFAOYSA-N 2 1 337.855 1.979 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CCC(F)(F)C3)cn2)CC1 ZINC000281775031 273528058 /nfs/dbraw/zinc/52/80/58/273528058.db2.gz TXMNRGNVCFNJCS-ZDUSSCGKSA-N 2 1 325.407 1.753 20 0 EDADMP CC[C@H](C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000124800230 273740577 /nfs/dbraw/zinc/74/05/77/273740577.db2.gz DPBUPHBRIBDFFM-SJLPKXTDSA-N 2 1 332.492 1.654 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)CCN1C1CC[NH+](C)CC1 ZINC000368391514 274351538 /nfs/dbraw/zinc/35/15/38/274351538.db2.gz FGQPGNZKUWPFEE-BEFAXECRSA-N 2 1 335.467 1.959 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnc1 ZINC000080565289 276170492 /nfs/dbraw/zinc/17/04/92/276170492.db2.gz JHICXRCYJDEUIJ-QGZVFWFLSA-N 2 1 333.480 1.639 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(OC)ccc1O ZINC000101670945 276170662 /nfs/dbraw/zinc/17/06/62/276170662.db2.gz BZVFENHSGKTPEG-OAHLLOKOSA-N 2 1 349.475 1.889 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000116449570 276309865 /nfs/dbraw/zinc/30/98/65/276309865.db2.gz UDEPEEIYQAORPH-OALUTQOASA-N 2 1 347.503 1.888 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)NCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000417014779 277105039 /nfs/dbraw/zinc/10/50/39/277105039.db2.gz FXHGABRHXJXIOQ-KRWDZBQOSA-N 2 1 333.480 1.013 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)NCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000417014779 277105040 /nfs/dbraw/zinc/10/50/40/277105040.db2.gz FXHGABRHXJXIOQ-KRWDZBQOSA-N 2 1 333.480 1.013 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)NCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000417014779 277105041 /nfs/dbraw/zinc/10/50/41/277105041.db2.gz FXHGABRHXJXIOQ-KRWDZBQOSA-N 2 1 333.480 1.013 20 0 EDADMP CN1CCN(c2ncc(C[N@@H+](CCC[NH3+])CC3CCCC3)cn2)CC1 ZINC000352539430 277114403 /nfs/dbraw/zinc/11/44/03/277114403.db2.gz ANQQQDCTIFOVKX-UHFFFAOYSA-N 2 1 346.523 1.569 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+](CCC[NH3+])CC3CCCC3)cn2)CC1 ZINC000352539430 277114405 /nfs/dbraw/zinc/11/44/05/277114405.db2.gz ANQQQDCTIFOVKX-UHFFFAOYSA-N 3 1 346.523 1.569 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+](CCC[NH3+])CC3CCCC3)cn2)CC1 ZINC000352539430 277114407 /nfs/dbraw/zinc/11/44/07/277114407.db2.gz ANQQQDCTIFOVKX-UHFFFAOYSA-N 3 1 346.523 1.569 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](CCO)C[C@H]2C)C1 ZINC000458577471 277390919 /nfs/dbraw/zinc/39/09/19/277390919.db2.gz OXQFHCKWGCHJEZ-SJORKVTESA-N 2 1 340.512 1.062 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](CCO)C[C@H]2C)C1 ZINC000458577471 277390921 /nfs/dbraw/zinc/39/09/21/277390921.db2.gz OXQFHCKWGCHJEZ-SJORKVTESA-N 2 1 340.512 1.062 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+](CCO)C[C@H]2C)C1 ZINC000458577471 277390922 /nfs/dbraw/zinc/39/09/22/277390922.db2.gz OXQFHCKWGCHJEZ-SJORKVTESA-N 2 1 340.512 1.062 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)C1 ZINC000458577471 277390924 /nfs/dbraw/zinc/39/09/24/277390924.db2.gz OXQFHCKWGCHJEZ-SJORKVTESA-N 2 1 340.512 1.062 20 0 EDADMP CS[C@@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@H]1N(C)C ZINC000337318962 278154377 /nfs/dbraw/zinc/15/43/77/278154377.db2.gz NJIMMOMJFQMAEF-IAGOWNOFSA-N 2 1 328.570 1.380 20 0 EDADMP CS[C@@H]1CN(CCCN2CC[NH+](C(C)C)CC2)C[C@H]1[NH+](C)C ZINC000337318962 278154380 /nfs/dbraw/zinc/15/43/80/278154380.db2.gz NJIMMOMJFQMAEF-IAGOWNOFSA-N 2 1 328.570 1.380 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)C1CC1 ZINC000353241893 279198643 /nfs/dbraw/zinc/19/86/43/279198643.db2.gz XKAFXFKSXKNVLO-UHFFFAOYSA-N 2 1 326.485 1.005 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000332110756 279332086 /nfs/dbraw/zinc/33/20/86/279332086.db2.gz VWWJCFJCXLSLAU-UMVBOHGHSA-N 2 1 336.505 1.873 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000332110756 279332087 /nfs/dbraw/zinc/33/20/87/279332087.db2.gz VWWJCFJCXLSLAU-UMVBOHGHSA-N 2 1 336.505 1.873 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000360121983 279375838 /nfs/dbraw/zinc/37/58/38/279375838.db2.gz BNHBPQKKULCXAR-IRXDYDNUSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000360121983 279375839 /nfs/dbraw/zinc/37/58/39/279375839.db2.gz BNHBPQKKULCXAR-IRXDYDNUSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)[C@H]1c1ccccc1 ZINC000356676996 279394507 /nfs/dbraw/zinc/39/45/07/279394507.db2.gz 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EDADMP CC[C@@H]1CN(C(=O)NCC[N@@H+](CC)C2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000363755293 280355057 /nfs/dbraw/zinc/35/50/57/280355057.db2.gz FTNMZVKREFJNRA-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000345985633 280377381 /nfs/dbraw/zinc/37/73/81/280377381.db2.gz DMQGCCYIJGCHRF-JFIYKMOQSA-N 2 1 337.508 1.697 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1C[C@@H](C)O ZINC000345985633 280377385 /nfs/dbraw/zinc/37/73/85/280377385.db2.gz DMQGCCYIJGCHRF-JFIYKMOQSA-N 2 1 337.508 1.697 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1C[C@@H](C)O ZINC000345985633 280377387 /nfs/dbraw/zinc/37/73/87/280377387.db2.gz DMQGCCYIJGCHRF-JFIYKMOQSA-N 2 1 337.508 1.697 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1C[C@@H](C)O ZINC000345985633 280377388 /nfs/dbraw/zinc/37/73/88/280377388.db2.gz DMQGCCYIJGCHRF-JFIYKMOQSA-N 2 1 337.508 1.697 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 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C[C@@H]1[C@@H](NC[C@@H]2C[N@@H+](C)CCN2C)CCC[NH+]1Cc1ccccc1 ZINC000293913582 303037615 /nfs/dbraw/zinc/03/76/15/303037615.db2.gz WYLRQIMIRDWWCV-RLLQIKCJSA-N 2 1 330.520 1.875 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cn2cc[nH+]c12 ZINC000294588321 303127916 /nfs/dbraw/zinc/12/79/16/303127916.db2.gz CSCBIGJBIBLWNL-DZGCQCFKSA-N 2 1 341.415 1.276 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cn2cc[nH+]c12 ZINC000294588321 303127918 /nfs/dbraw/zinc/12/79/18/303127918.db2.gz CSCBIGJBIBLWNL-DZGCQCFKSA-N 2 1 341.415 1.276 20 0 EDADMP COC(=O)Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000294656670 303133043 /nfs/dbraw/zinc/13/30/43/303133043.db2.gz CKEGLWUZSQLNAI-UHFFFAOYSA-N 2 1 343.431 1.337 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295532526 303230635 /nfs/dbraw/zinc/23/06/35/303230635.db2.gz RLJATBFUKPOVDI-INIZCTEOSA-N 2 1 349.475 1.204 20 0 EDADMP O=C(NCc1ccc2cncn2c1)[C@@H]1COCCN1CC1CCC1 ZINC000297182219 303369486 /nfs/dbraw/zinc/36/94/86/303369486.db2.gz KKWROAWTPLGMHV-KRWDZBQOSA-N 2 1 328.416 1.451 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2CC2)C[C@H](C)C1 ZINC000458372313 447332331 /nfs/dbraw/zinc/33/23/31/447332331.db2.gz QQRZAENPBGHPOZ-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000458372313 447332337 /nfs/dbraw/zinc/33/23/37/447332337.db2.gz QQRZAENPBGHPOZ-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000458372313 447332345 /nfs/dbraw/zinc/33/23/45/447332345.db2.gz QQRZAENPBGHPOZ-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP CCOc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414871060 447336782 /nfs/dbraw/zinc/33/67/82/447336782.db2.gz CRWPZPXHBZCLMS-AWEZNQCLSA-N 2 1 349.475 1.912 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000414888128 447345423 /nfs/dbraw/zinc/34/54/23/447345423.db2.gz XRIRZIOBZPYVRL-CYBMUJFWSA-N 2 1 332.448 1.334 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000423887644 304913546 /nfs/dbraw/zinc/91/35/46/304913546.db2.gz YHVLUERDKSEGFM-ZTFGCOKTSA-N 2 1 349.450 1.437 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000427993028 305003254 /nfs/dbraw/zinc/00/32/54/305003254.db2.gz OAILFOAFOJYHOJ-CABCVRRESA-N 2 1 325.497 1.865 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)cs1 ZINC000429145371 305024459 /nfs/dbraw/zinc/02/44/59/305024459.db2.gz VTZUPQICKOANOC-BLLLJJGKSA-N 2 1 336.505 1.859 20 0 EDADMP CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)C12CCCC2 ZINC000429690831 305035210 /nfs/dbraw/zinc/03/52/10/305035210.db2.gz UKZVMYCQCAIZIX-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)C12CCCC2 ZINC000429690831 305035211 /nfs/dbraw/zinc/03/52/11/305035211.db2.gz UKZVMYCQCAIZIX-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1CC[C@H]([N@@H+](CCO)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000429777919 305036943 /nfs/dbraw/zinc/03/69/43/305036943.db2.gz XPEPVNQUXFDISA-NEWSRXKRSA-N 2 1 347.503 1.888 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430546298 305056029 /nfs/dbraw/zinc/05/60/29/305056029.db2.gz JOZQBHRHCNAASQ-MRXNPFEDSA-N 2 1 332.492 1.640 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430546298 305056030 /nfs/dbraw/zinc/05/60/30/305056030.db2.gz JOZQBHRHCNAASQ-MRXNPFEDSA-N 2 1 332.492 1.640 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC[C@H](C[NH3+])C3)CC2)c1 ZINC000430624876 305059815 /nfs/dbraw/zinc/05/98/15/305059815.db2.gz JMFODGAYBARCSR-LJQANCHMSA-N 2 1 344.503 1.310 20 0 EDADMP C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[N@H+]1CCCC[C@H]1C ZINC000430747938 305064060 /nfs/dbraw/zinc/06/40/60/305064060.db2.gz NZHSZPOJKOXNSF-ZIAGYGMSSA-N 2 1 334.468 1.195 20 0 EDADMP CC[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000430767321 305064406 /nfs/dbraw/zinc/06/44/06/305064406.db2.gz VYNUNAPFQMIERJ-MSOLQXFVSA-N 2 1 331.460 1.318 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(C)[C@H](C)C[NH3+])CC1 ZINC000430950007 305070091 /nfs/dbraw/zinc/07/00/91/305070091.db2.gz PFZRYTLGGMKBRP-QGZVFWFLSA-N 2 1 332.492 1.308 20 0 EDADMP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000430950787 305070423 /nfs/dbraw/zinc/07/04/23/305070423.db2.gz SLCBHQZXWMRCFI-CALCHBBNSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@@H]([NH3+])C1CC[NH+](CCOc2cccc(S(C)(=O)=O)c2)CC1 ZINC000430962418 305071320 /nfs/dbraw/zinc/07/13/20/305071320.db2.gz QMVAZUFEHASLLV-CYBMUJFWSA-N 2 1 326.462 1.528 20 0 EDADMP CC[N@@H+](CCNC(=O)NCCC[NH+]1CCCO[C@H](C)C1)C(C)C ZINC000433326814 305105805 /nfs/dbraw/zinc/10/58/05/305105805.db2.gz PLEFJSMIGSYPTD-MRXNPFEDSA-N 2 1 328.501 1.517 20 0 EDADMP CC[NH+](CCNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C(C)C ZINC000433326814 305105806 /nfs/dbraw/zinc/10/58/06/305105806.db2.gz PLEFJSMIGSYPTD-MRXNPFEDSA-N 2 1 328.501 1.517 20 0 EDADMP CC[NH+](CCNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C(C)C ZINC000433326814 305105807 /nfs/dbraw/zinc/10/58/07/305105807.db2.gz PLEFJSMIGSYPTD-MRXNPFEDSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000433386162 305107295 /nfs/dbraw/zinc/10/72/95/305107295.db2.gz GYMLPTUXKYAIND-ARFHVFGLSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000433386162 305107296 /nfs/dbraw/zinc/10/72/96/305107296.db2.gz GYMLPTUXKYAIND-ARFHVFGLSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000433386162 305107297 /nfs/dbraw/zinc/10/72/97/305107297.db2.gz GYMLPTUXKYAIND-ARFHVFGLSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)[N@H+]1CCCC[C@H]1C ZINC000433387097 305107467 /nfs/dbraw/zinc/10/74/67/305107467.db2.gz QFUDMZVERMEZNO-RBSFLKMASA-N 2 1 334.468 1.195 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OCC(=O)NCC1CC1 ZINC000435374162 305139244 /nfs/dbraw/zinc/13/92/44/305139244.db2.gz HNXGHPCADQFDLX-GOEBONIOSA-N 2 1 331.460 1.761 20 0 EDADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000435396342 305139945 /nfs/dbraw/zinc/13/99/45/305139945.db2.gz YFMZTEIQFSWYOA-MRXNPFEDSA-N 2 1 331.460 1.859 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000660700420 453523981 /nfs/dbraw/zinc/52/39/81/453523981.db2.gz OUVGQWTWCONXQH-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP Cn1cc(CC[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435683452 305145150 /nfs/dbraw/zinc/14/51/50/305145150.db2.gz QPVPIXZUCGPTJD-INIZCTEOSA-N 2 1 328.464 1.340 20 0 EDADMP Cn1cc(CC[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435683452 305145151 /nfs/dbraw/zinc/14/51/51/305145151.db2.gz QPVPIXZUCGPTJD-INIZCTEOSA-N 2 1 328.464 1.340 20 0 EDADMP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000438840949 305189957 /nfs/dbraw/zinc/18/99/57/305189957.db2.gz KNSRCBUPLGBHGP-SFHVURJKSA-N 2 1 329.448 1.679 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440989989 305215794 /nfs/dbraw/zinc/21/57/94/305215794.db2.gz UXWDSFBCWKRDBA-HNNXBMFYSA-N 2 1 327.517 1.042 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000442760897 305229759 /nfs/dbraw/zinc/22/97/59/305229759.db2.gz AUKHAPKLFLAJHE-HUUCEWRRSA-N 2 1 344.459 1.811 20 0 EDADMP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000442976147 305232457 /nfs/dbraw/zinc/23/24/57/305232457.db2.gz LKMMSUZVYAZTMW-SFHVURJKSA-N 2 1 348.535 1.539 20 0 EDADMP CCCN(C)CC(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 ZINC000444419533 305248060 /nfs/dbraw/zinc/24/80/60/305248060.db2.gz ZGFYCXHKTYAVIF-UHFFFAOYSA-N 2 1 346.475 1.631 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000445090474 305256139 /nfs/dbraw/zinc/25/61/39/305256139.db2.gz JMJFOGAJLMENMJ-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000445090474 305256140 /nfs/dbraw/zinc/25/61/40/305256140.db2.gz JMJFOGAJLMENMJ-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000445090474 305256141 /nfs/dbraw/zinc/25/61/41/305256141.db2.gz JMJFOGAJLMENMJ-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H](O)[C@H]1C[C@@H](C)CC[NH+]1C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000447264434 305276569 /nfs/dbraw/zinc/27/65/69/305276569.db2.gz BIMIWKHFCSYFPA-AVBQZKFLSA-N 2 1 342.524 1.310 20 0 EDADMP C[C@H](O)[C@H]1C[C@@H](C)CC[N@H+]1C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000447264434 305276570 /nfs/dbraw/zinc/27/65/70/305276570.db2.gz BIMIWKHFCSYFPA-AVBQZKFLSA-N 2 1 342.524 1.310 20 0 EDADMP C[C@H](O)[C@H]1C[C@@H](C)CC[N@@H+]1C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000447264434 305276571 /nfs/dbraw/zinc/27/65/71/305276571.db2.gz BIMIWKHFCSYFPA-AVBQZKFLSA-N 2 1 342.524 1.310 20 0 EDADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000449579411 305314696 /nfs/dbraw/zinc/31/46/96/305314696.db2.gz FXDBUHWYASKFFW-CVEARBPZSA-N 2 1 347.463 1.050 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@]4(CCSC4)C3)cn2)CC1 ZINC000449731348 305318186 /nfs/dbraw/zinc/31/81/86/305318186.db2.gz IEWRNYGQPVHIDJ-GOSISDBHSA-N 2 1 347.532 1.948 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@]4(CCSC4)C3)cn2)CC1 ZINC000449731348 305318187 /nfs/dbraw/zinc/31/81/87/305318187.db2.gz IEWRNYGQPVHIDJ-GOSISDBHSA-N 2 1 347.532 1.948 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCOC3CCC3)C2)CC1 ZINC000451528684 305351562 /nfs/dbraw/zinc/35/15/62/305351562.db2.gz LWUDPAOTJDZFIJ-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCOC3CCC3)C2)CC1 ZINC000451528684 305351563 /nfs/dbraw/zinc/35/15/63/305351563.db2.gz LWUDPAOTJDZFIJ-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCOC3CCC3)C2)CC1 ZINC000451528684 305351564 /nfs/dbraw/zinc/35/15/64/305351564.db2.gz LWUDPAOTJDZFIJ-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCOC3CCC3)C2)CC1 ZINC000451528684 305351565 /nfs/dbraw/zinc/35/15/65/305351565.db2.gz LWUDPAOTJDZFIJ-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@H+]2CCCO)CCCCC1 ZINC000452376075 305394958 /nfs/dbraw/zinc/39/49/58/305394958.db2.gz YQMNDLZTBVKTOO-MRXNPFEDSA-N 2 1 325.497 1.462 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)CC[N@H+]1CCOC ZINC000377779847 447351772 /nfs/dbraw/zinc/35/17/72/447351772.db2.gz PVICVLCGPHNHEO-IXDOHACOSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000458409108 447351142 /nfs/dbraw/zinc/35/11/42/447351142.db2.gz LVLLUQCBIYOABV-CABCVRRESA-N 2 1 328.501 1.061 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000458409108 447351147 /nfs/dbraw/zinc/35/11/47/447351147.db2.gz LVLLUQCBIYOABV-CABCVRRESA-N 2 1 328.501 1.061 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]1CCOCC1 ZINC000542719757 306057269 /nfs/dbraw/zinc/05/72/69/306057269.db2.gz MANSSRTYTRJWNV-QGZVFWFLSA-N 2 1 342.528 1.717 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)CCN(C)c2cc[nH+]cc2)C[C@@H](C)O1 ZINC000543715605 306067806 /nfs/dbraw/zinc/06/78/06/306067806.db2.gz AHJAIPDDGAVCOU-HZPDHXFCSA-N 2 1 348.491 1.912 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000546735907 306095728 /nfs/dbraw/zinc/09/57/28/306095728.db2.gz FYTPGJKBRBLNHR-UHFFFAOYSA-N 2 1 341.455 1.894 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000548063666 306118961 /nfs/dbraw/zinc/11/89/61/306118961.db2.gz HXSAJBYYBQBFFP-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP C[NH+](C)CCCCC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000551104103 306155801 /nfs/dbraw/zinc/15/58/01/306155801.db2.gz BCEKFLSMLMKKFA-MSOLQXFVSA-N 2 1 333.476 1.470 20 0 EDADMP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000552155282 306176363 /nfs/dbraw/zinc/17/63/63/306176363.db2.gz OKWBUFOQXRUAQE-BZSNNMDCSA-N 2 1 331.460 1.032 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)CC[NH+](C)C)CC2)CC1 ZINC000553491077 306185472 /nfs/dbraw/zinc/18/54/72/306185472.db2.gz FXQPWBPZWLLCIT-MRXNPFEDSA-N 3 1 338.540 1.639 20 0 EDADMP Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000556942843 306221601 /nfs/dbraw/zinc/22/16/01/306221601.db2.gz HNIMTDAFEVPRBN-WMZOPIPTSA-N 2 1 331.460 1.566 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](CN[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000414955996 447372783 /nfs/dbraw/zinc/37/27/83/447372783.db2.gz PJRBTFWKQAZMQW-DNVCBOLYSA-N 2 1 340.471 1.627 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000414984531 447385276 /nfs/dbraw/zinc/38/52/76/447385276.db2.gz MDHAOZKCDCNOPC-OAHLLOKOSA-N 2 1 346.475 1.439 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000377908470 447387692 /nfs/dbraw/zinc/38/76/92/447387692.db2.gz TWKIFLFGJXRMHN-ZACQAIPSSA-N 2 1 335.492 1.620 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@H+](C2CC2)C1 ZINC000458521329 447399591 /nfs/dbraw/zinc/39/95/91/447399591.db2.gz SSUWCSURXDIARR-WMLDXEAASA-N 2 1 340.537 1.549 20 0 EDADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449933713 447413606 /nfs/dbraw/zinc/41/36/06/447413606.db2.gz DOJDNYNZIKYVKA-GOSISDBHSA-N 2 1 337.508 1.747 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000101978724 441164509 /nfs/dbraw/zinc/16/45/09/441164509.db2.gz OWOUJLSTGONMGB-QGZVFWFLSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H](O)CC[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000072714935 441254753 /nfs/dbraw/zinc/25/47/53/441254753.db2.gz AKNAUFMMOWRVAF-SJORKVTESA-N 2 1 347.503 1.858 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1CC[NH+](C)CC1 ZINC000081417945 441265673 /nfs/dbraw/zinc/26/56/73/441265673.db2.gz CYAUCSWIXDADOV-INIZCTEOSA-N 2 1 345.491 1.050 20 0 EDADMP COCCOc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000107317625 441409677 /nfs/dbraw/zinc/40/96/77/441409677.db2.gz AHAGQCPUTDXQDN-UHFFFAOYSA-N 2 1 335.492 1.829 20 0 EDADMP C[C@@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)C[C@H](C)[N@@H+]1CCO ZINC000458652943 447440200 /nfs/dbraw/zinc/44/02/00/447440200.db2.gz KBNUNWVSTTZDHR-IYBDPMFKSA-N 2 1 340.512 1.205 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000074856794 441473336 /nfs/dbraw/zinc/47/33/36/441473336.db2.gz BCROCMYWTDCKKD-KRWDZBQOSA-N 2 1 333.480 1.955 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000074856794 441473338 /nfs/dbraw/zinc/47/33/38/441473338.db2.gz BCROCMYWTDCKKD-KRWDZBQOSA-N 2 1 333.480 1.955 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCCC[NH+]1CCCC1 ZINC000075532805 441531176 /nfs/dbraw/zinc/53/11/76/441531176.db2.gz KJAHHBOQHCLBRG-UHFFFAOYSA-N 2 1 344.503 1.406 20 0 EDADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000112512662 441549806 /nfs/dbraw/zinc/54/98/06/441549806.db2.gz WWLAKGOVJAFWOH-KRWDZBQOSA-N 2 1 346.519 1.779 20 0 EDADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000112512662 441549811 /nfs/dbraw/zinc/54/98/11/441549811.db2.gz WWLAKGOVJAFWOH-KRWDZBQOSA-N 2 1 346.519 1.779 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000113404447 441606919 /nfs/dbraw/zinc/60/69/19/441606919.db2.gz CQKZMYWPMUOMNO-QGZVFWFLSA-N 2 1 340.512 1.663 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038777 441616606 /nfs/dbraw/zinc/61/66/06/441616606.db2.gz BMHRRDAVVDMGPL-MDZRGWNJSA-N 3 1 346.519 1.796 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038777 441616610 /nfs/dbraw/zinc/61/66/10/441616610.db2.gz BMHRRDAVVDMGPL-MDZRGWNJSA-N 2 1 346.519 1.796 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038777 441616612 /nfs/dbraw/zinc/61/66/12/441616612.db2.gz BMHRRDAVVDMGPL-MDZRGWNJSA-N 2 1 346.519 1.796 20 0 EDADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)o1 ZINC000114506627 441665501 /nfs/dbraw/zinc/66/55/01/441665501.db2.gz MFAPMETWRGSFJV-SJLPKXTDSA-N 2 1 335.492 1.883 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091346701 441696300 /nfs/dbraw/zinc/69/63/00/441696300.db2.gz ZRYGYELGJKOLGR-ZDUSSCGKSA-N 2 1 336.461 1.970 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000067685763 441667178 /nfs/dbraw/zinc/66/71/78/441667178.db2.gz QBMKNGFHRNUTDJ-DLBZAZTESA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000067685763 441667184 /nfs/dbraw/zinc/66/71/84/441667184.db2.gz QBMKNGFHRNUTDJ-DLBZAZTESA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000067685763 441667188 /nfs/dbraw/zinc/66/71/88/441667188.db2.gz QBMKNGFHRNUTDJ-DLBZAZTESA-N 2 1 340.512 1.373 20 0 EDADMP CN(Cc1ccco1)C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173945879 441866785 /nfs/dbraw/zinc/86/67/85/441866785.db2.gz PSKKPRJKXNKVKS-UHFFFAOYSA-N 2 1 349.475 1.815 20 0 EDADMP CC(C[NH+](CC(N)=O)C1CCCC1)C[N@H+](CC(N)=O)C1CCCC1 ZINC000123939965 441904812 /nfs/dbraw/zinc/90/48/12/441904812.db2.gz IEYBVEQWPZEAAW-UHFFFAOYSA-N 2 1 338.496 1.082 20 0 EDADMP CC(C[NH+](CC(N)=O)C1CCCC1)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000123939965 441904819 /nfs/dbraw/zinc/90/48/19/441904819.db2.gz IEYBVEQWPZEAAW-UHFFFAOYSA-N 2 1 338.496 1.082 20 0 EDADMP CN(c1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)cc1)C1CC[NH+](C)CC1 ZINC000174139360 441892941 /nfs/dbraw/zinc/89/29/41/441892941.db2.gz PRDWYRFNRJZFCV-GOSISDBHSA-N 2 1 346.475 1.486 20 0 EDADMP CN(c1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1)C1CC[NH+](C)CC1 ZINC000174139360 441892945 /nfs/dbraw/zinc/89/29/45/441892945.db2.gz PRDWYRFNRJZFCV-GOSISDBHSA-N 2 1 346.475 1.486 20 0 EDADMP C[NH+]1CCC(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000174613022 441944072 /nfs/dbraw/zinc/94/40/72/441944072.db2.gz HCAOXVXAQRRNPR-UHFFFAOYSA-N 2 1 348.466 1.406 20 0 EDADMP CN(C(=O)[C@@H](c1ccccc1)N1CCN(C)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000151151484 442015218 /nfs/dbraw/zinc/01/52/18/442015218.db2.gz VGGYIDWZCRQBDD-RBUKOAKNSA-N 2 1 344.503 1.528 20 0 EDADMP CN(C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000151151484 442015233 /nfs/dbraw/zinc/01/52/33/442015233.db2.gz VGGYIDWZCRQBDD-RBUKOAKNSA-N 2 1 344.503 1.528 20 0 EDADMP CN(C(=O)[C@H](c1ccccc1)N1CCN(C)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000151151317 442015324 /nfs/dbraw/zinc/01/53/24/442015324.db2.gz VGGYIDWZCRQBDD-MOPGFXCFSA-N 2 1 344.503 1.528 20 0 EDADMP CN(C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000151151317 442015340 /nfs/dbraw/zinc/01/53/40/442015340.db2.gz VGGYIDWZCRQBDD-MOPGFXCFSA-N 2 1 344.503 1.528 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H](C)O1 ZINC000079093371 442018350 /nfs/dbraw/zinc/01/83/50/442018350.db2.gz PMOJYYORIOCTTA-QBPKDAKJSA-N 2 1 338.496 1.412 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000079199227 442029807 /nfs/dbraw/zinc/02/98/07/442029807.db2.gz CZOXJKBEINCUNF-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP CC[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000125620360 442036698 /nfs/dbraw/zinc/03/66/98/442036698.db2.gz QAYZMCKUZYZXMM-QGZVFWFLSA-N 2 1 345.487 1.867 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@@H+]1C ZINC000120510586 442085280 /nfs/dbraw/zinc/08/52/80/442085280.db2.gz UQTWDFDJPOICFB-DYVFJYSZSA-N 2 1 344.459 1.512 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@H+]1C ZINC000120510586 442085283 /nfs/dbraw/zinc/08/52/83/442085283.db2.gz UQTWDFDJPOICFB-DYVFJYSZSA-N 2 1 344.459 1.512 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[NH+]1C ZINC000120510586 442085289 /nfs/dbraw/zinc/08/52/89/442085289.db2.gz UQTWDFDJPOICFB-DYVFJYSZSA-N 2 1 344.459 1.512 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[NH+]1C ZINC000120510586 442085290 /nfs/dbraw/zinc/08/52/90/442085290.db2.gz UQTWDFDJPOICFB-DYVFJYSZSA-N 2 1 344.459 1.512 20 0 EDADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458670218 447446126 /nfs/dbraw/zinc/44/61/26/447446126.db2.gz XDALCIFPBQIFTE-SJORKVTESA-N 2 1 340.512 1.397 20 0 EDADMP C[NH+]1CCN(C(=O)CN(Cc2cccc(F)c2)C[C@H]2CCCO2)CC1 ZINC000120887288 442147418 /nfs/dbraw/zinc/14/74/18/442147418.db2.gz BARCCMBTKVWNEV-GOSISDBHSA-N 2 1 349.450 1.581 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000162565117 442104715 /nfs/dbraw/zinc/10/47/15/442104715.db2.gz XLYCXOXOUIGTLQ-HNNXBMFYSA-N 2 1 328.482 1.374 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000162565117 442104716 /nfs/dbraw/zinc/10/47/16/442104716.db2.gz XLYCXOXOUIGTLQ-HNNXBMFYSA-N 2 1 328.482 1.374 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)CC1 ZINC000097105717 442169180 /nfs/dbraw/zinc/16/91/80/442169180.db2.gz SFURCBPXGRAZPO-UHFFFAOYSA-N 2 1 330.476 1.258 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC000121150459 442183569 /nfs/dbraw/zinc/18/35/69/442183569.db2.gz XVNUVTQAJURNJW-NPMXOYFQSA-N 2 1 338.517 1.949 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000121164153 442185266 /nfs/dbraw/zinc/18/52/66/442185266.db2.gz NSIWCNYDGIBKMU-GOSISDBHSA-N 2 1 342.487 1.998 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000121164153 442185270 /nfs/dbraw/zinc/18/52/70/442185270.db2.gz NSIWCNYDGIBKMU-GOSISDBHSA-N 2 1 342.487 1.998 20 0 EDADMP O=C(C[C@H]1C[NH2+]CCO1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000166690652 442217886 /nfs/dbraw/zinc/21/78/86/442217886.db2.gz WGIWVHHCHAHBEV-HNNXBMFYSA-N 2 1 335.473 1.552 20 0 EDADMP C[N@@H+](CCN1CC[NH+](CC2(O)CCOCC2)CC1)Cc1ccccc1 ZINC000153024600 442257179 /nfs/dbraw/zinc/25/71/79/442257179.db2.gz OGQYFSGGEKEGEV-UHFFFAOYSA-N 2 1 347.503 1.278 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000154979450 442368123 /nfs/dbraw/zinc/36/81/23/442368123.db2.gz DFJROESSHGDWRN-KRWDZBQOSA-N 2 1 338.496 1.369 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000177725574 442376717 /nfs/dbraw/zinc/37/67/17/442376717.db2.gz CRBBXRGPJHGBCR-IAGOWNOFSA-N 2 1 336.524 1.393 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NCCC[NH+]2CCCC2)c2ccccc2)CC1 ZINC000171947978 442392379 /nfs/dbraw/zinc/39/23/79/442392379.db2.gz OOBDSFPFIPNJNS-IBGZPJMESA-N 2 1 344.503 1.577 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000172127342 442411419 /nfs/dbraw/zinc/41/14/19/442411419.db2.gz PUXHSMJNQWNUMG-IAGOWNOFSA-N 2 1 340.512 1.326 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000172127342 442411421 /nfs/dbraw/zinc/41/14/21/442411421.db2.gz PUXHSMJNQWNUMG-IAGOWNOFSA-N 2 1 340.512 1.326 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000172127342 442411424 /nfs/dbraw/zinc/41/14/24/442411424.db2.gz PUXHSMJNQWNUMG-IAGOWNOFSA-N 2 1 340.512 1.326 20 0 EDADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000172124955 442411479 /nfs/dbraw/zinc/41/14/79/442411479.db2.gz XOWQZUIZCVLYDT-UHFFFAOYSA-N 2 1 344.503 1.995 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000133833147 442436270 /nfs/dbraw/zinc/43/62/70/442436270.db2.gz ZUMVJXJYUWEIEQ-WBVHZDCISA-N 2 1 333.501 1.814 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000133833147 442436272 /nfs/dbraw/zinc/43/62/72/442436272.db2.gz ZUMVJXJYUWEIEQ-WBVHZDCISA-N 2 1 333.501 1.814 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](CO)O1 ZINC000191524767 442458166 /nfs/dbraw/zinc/45/81/66/442458166.db2.gz RHWWVFQIPJGJQI-VQIMIIECSA-N 2 1 347.503 1.799 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](CO)O1 ZINC000191524767 442458168 /nfs/dbraw/zinc/45/81/68/442458168.db2.gz RHWWVFQIPJGJQI-VQIMIIECSA-N 2 1 347.503 1.799 20 0 EDADMP CCc1nc2c(s1)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000178671458 442455068 /nfs/dbraw/zinc/45/50/68/442455068.db2.gz VYIOKDHEOPETJM-CYBMUJFWSA-N 2 1 336.505 1.837 20 0 EDADMP C[C@H]1CSCC[N@@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000172435768 442460756 /nfs/dbraw/zinc/46/07/56/442460756.db2.gz NIUZOFXJXBPRQT-AWEZNQCLSA-N 2 1 339.530 1.830 20 0 EDADMP C[C@H]1CSCC[N@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000172435768 442460761 /nfs/dbraw/zinc/46/07/61/442460761.db2.gz NIUZOFXJXBPRQT-AWEZNQCLSA-N 2 1 339.530 1.830 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000156368118 442472996 /nfs/dbraw/zinc/47/29/96/442472996.db2.gz CLIRPNCWPALOSH-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000178754689 442475146 /nfs/dbraw/zinc/47/51/46/442475146.db2.gz QICFKNFEZDFICQ-KRWDZBQOSA-N 2 1 333.501 1.734 20 0 EDADMP CC[NH+]1CCC(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134944145 442538981 /nfs/dbraw/zinc/53/89/81/442538981.db2.gz PIWCMDNPSFUTNW-VQIMIIECSA-N 2 1 348.535 1.536 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC[N@@H+]1C ZINC000172849549 442554555 /nfs/dbraw/zinc/55/45/55/442554555.db2.gz XYIKRBWPTUAUDI-KFWWJZLASA-N 2 1 345.443 1.058 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC[N@H+]1C ZINC000172849549 442554558 /nfs/dbraw/zinc/55/45/58/442554558.db2.gz XYIKRBWPTUAUDI-KFWWJZLASA-N 2 1 345.443 1.058 20 0 EDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC[NH+]1C ZINC000172849549 442554561 /nfs/dbraw/zinc/55/45/61/442554561.db2.gz XYIKRBWPTUAUDI-KFWWJZLASA-N 2 1 345.443 1.058 20 0 EDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC[NH+]1C ZINC000172849549 442554565 /nfs/dbraw/zinc/55/45/65/442554565.db2.gz XYIKRBWPTUAUDI-KFWWJZLASA-N 2 1 345.443 1.058 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178891255 442516628 /nfs/dbraw/zinc/51/66/28/442516628.db2.gz GJJSEPCCDOUFAF-INIZCTEOSA-N 2 1 346.475 1.251 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000191857672 442526167 /nfs/dbraw/zinc/52/61/67/442526167.db2.gz AURNJQBQRTYREP-HZPDHXFCSA-N 2 1 325.497 1.628 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000157480137 442587617 /nfs/dbraw/zinc/58/76/17/442587617.db2.gz FYZZUMUEIYMVKS-IRXDYDNUSA-N 2 1 341.496 1.007 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2ccncc2)C1 ZINC000180220168 442560479 /nfs/dbraw/zinc/56/04/79/442560479.db2.gz ITCPCBLLADEQBP-RDJZCZTQSA-N 2 1 334.464 1.205 20 0 EDADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192014601 442567750 /nfs/dbraw/zinc/56/77/50/442567750.db2.gz NVMBELBNIDWRQU-IRXDYDNUSA-N 2 1 335.492 1.574 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192014601 442567754 /nfs/dbraw/zinc/56/77/54/442567754.db2.gz NVMBELBNIDWRQU-IRXDYDNUSA-N 2 1 335.492 1.574 20 0 EDADMP C[NH+]1CCC(CNC(=O)Nc2cnns2)(N2CCCCC2)CC1 ZINC000192353264 442637884 /nfs/dbraw/zinc/63/78/84/442637884.db2.gz FLHUDXUFZBZTOR-UHFFFAOYSA-N 2 1 338.481 1.610 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)c1 ZINC000158048273 442641997 /nfs/dbraw/zinc/64/19/97/442641997.db2.gz PZOYNYBIQDIUDV-HNNXBMFYSA-N 2 1 334.489 1.476 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC2)c1 ZINC000158048273 442642000 /nfs/dbraw/zinc/64/20/00/442642000.db2.gz PZOYNYBIQDIUDV-HNNXBMFYSA-N 2 1 334.489 1.476 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192762683 442684645 /nfs/dbraw/zinc/68/46/45/442684645.db2.gz LNPMLKDUWBFWOK-MQVJKMGUSA-N 2 1 337.489 1.488 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192762683 442684646 /nfs/dbraw/zinc/68/46/46/442684646.db2.gz LNPMLKDUWBFWOK-MQVJKMGUSA-N 2 1 337.489 1.488 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000187948914 442699751 /nfs/dbraw/zinc/69/97/51/442699751.db2.gz KKOBPAFOUFFEMK-DLBZAZTESA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000187948914 442699754 /nfs/dbraw/zinc/69/97/54/442699754.db2.gz KKOBPAFOUFFEMK-DLBZAZTESA-N 2 1 331.460 1.486 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)CC1 ZINC000187952299 442700000 /nfs/dbraw/zinc/70/00/00/442700000.db2.gz AFDLGNPFZCWHDP-QAPCUYQASA-N 2 1 325.497 1.458 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000187202880 442660172 /nfs/dbraw/zinc/66/01/72/442660172.db2.gz ZUCISTGNXMMNAM-HNNXBMFYSA-N 2 1 328.501 1.110 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000187202880 442660175 /nfs/dbraw/zinc/66/01/75/442660175.db2.gz ZUCISTGNXMMNAM-HNNXBMFYSA-N 2 1 328.501 1.110 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000187202880 442660176 /nfs/dbraw/zinc/66/01/76/442660176.db2.gz ZUCISTGNXMMNAM-HNNXBMFYSA-N 2 1 328.501 1.110 20 0 EDADMP CN(CC[N@@H+](C)Cc1cc2ccccc2[nH]c1=O)C1CC[NH+](C)CC1 ZINC000180962650 442672228 /nfs/dbraw/zinc/67/22/28/442672228.db2.gz VLVONHVXQOXWOZ-UHFFFAOYSA-N 2 1 342.487 1.986 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2coc(C[NH3+])c2)CC1 ZINC000188142696 442715910 /nfs/dbraw/zinc/71/59/10/442715910.db2.gz JMIQKVXZRFYRAV-GASCZTMLSA-N 2 1 334.464 1.369 20 0 EDADMP COC[C@H](C)C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000188248880 442729158 /nfs/dbraw/zinc/72/91/58/442729158.db2.gz TWRPAXMDBFBJPN-MRXNPFEDSA-N 2 1 349.475 1.720 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000188258359 442730558 /nfs/dbraw/zinc/73/05/58/442730558.db2.gz OQBYVOLFUHQJKS-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000188448906 442751126 /nfs/dbraw/zinc/75/11/26/442751126.db2.gz NEGIFYPJFCHJNH-HUUCEWRRSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188448906 442751128 /nfs/dbraw/zinc/75/11/28/442751128.db2.gz NEGIFYPJFCHJNH-HUUCEWRRSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188448906 442751132 /nfs/dbraw/zinc/75/11/32/442751132.db2.gz NEGIFYPJFCHJNH-HUUCEWRRSA-N 2 1 328.501 1.203 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246585234 442794904 /nfs/dbraw/zinc/79/49/04/442794904.db2.gz CKBAHLQPNIIGED-DLBZAZTESA-N 2 1 340.512 1.394 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000246436500 442782012 /nfs/dbraw/zinc/78/20/12/442782012.db2.gz TZMFOVKNFFSGPI-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000246436500 442782015 /nfs/dbraw/zinc/78/20/15/442782015.db2.gz TZMFOVKNFFSGPI-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000182550708 442785386 /nfs/dbraw/zinc/78/53/86/442785386.db2.gz UIZFIHMRVUJUMU-PVAVHDDUSA-N 2 1 333.480 1.953 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000182550708 442785391 /nfs/dbraw/zinc/78/53/91/442785391.db2.gz UIZFIHMRVUJUMU-PVAVHDDUSA-N 2 1 333.480 1.953 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCCCCC3)cc2C1 ZINC000193918132 442812524 /nfs/dbraw/zinc/81/25/24/442812524.db2.gz HFUXTJXCXAXRQM-UHFFFAOYSA-N 2 1 344.459 1.563 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCCCCC3)cc2C1 ZINC000193918132 442812525 /nfs/dbraw/zinc/81/25/25/442812525.db2.gz HFUXTJXCXAXRQM-UHFFFAOYSA-N 2 1 344.459 1.563 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000265535980 442813590 /nfs/dbraw/zinc/81/35/90/442813590.db2.gz KAMPTGNVPDQTKN-QZTJIDSGSA-N 2 1 346.475 1.281 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000265535980 442813593 /nfs/dbraw/zinc/81/35/93/442813593.db2.gz KAMPTGNVPDQTKN-QZTJIDSGSA-N 2 1 346.475 1.281 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000265535980 442813597 /nfs/dbraw/zinc/81/35/97/442813597.db2.gz KAMPTGNVPDQTKN-QZTJIDSGSA-N 2 1 346.475 1.281 20 0 EDADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000268036502 442825498 /nfs/dbraw/zinc/82/54/98/442825498.db2.gz WRONEBABZPALKR-WMZOPIPTSA-N 2 1 335.492 1.980 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)c1cc(F)ccc1F ZINC000182954728 442853654 /nfs/dbraw/zinc/85/36/54/442853654.db2.gz VEQJGFXJBKBJOJ-KRWDZBQOSA-N 2 1 327.419 1.568 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCc2sccc2C1 ZINC000268116732 442853842 /nfs/dbraw/zinc/85/38/42/442853842.db2.gz KBOJOPNNZRBMAF-CZUORRHYSA-N 2 1 348.516 1.888 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCc2sccc2C1 ZINC000268116732 442853847 /nfs/dbraw/zinc/85/38/47/442853847.db2.gz KBOJOPNNZRBMAF-CZUORRHYSA-N 2 1 348.516 1.888 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000268116732 442853850 /nfs/dbraw/zinc/85/38/50/442853850.db2.gz KBOJOPNNZRBMAF-CZUORRHYSA-N 2 1 348.516 1.888 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000268116732 442853854 /nfs/dbraw/zinc/85/38/54/442853854.db2.gz KBOJOPNNZRBMAF-CZUORRHYSA-N 2 1 348.516 1.888 20 0 EDADMP COC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000249179095 442959240 /nfs/dbraw/zinc/95/92/40/442959240.db2.gz GYTUJLMUQAWLSF-SOLBZPMBSA-N 2 1 328.497 1.907 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+]CC(CC)(CC)C(=O)OC)CC1 ZINC000192701510 318580719 /nfs/dbraw/zinc/58/07/19/318580719.db2.gz VXEQQYWVKIKXDD-AWEZNQCLSA-N 2 1 327.469 1.108 20 0 EDADMP CC[C@]1(CO)CCC[NH+]1CCOCC[N@@H+]1CCC[C@]1(CC)CO ZINC000251626665 443015145 /nfs/dbraw/zinc/01/51/45/443015145.db2.gz GRYXEUUSCAGHSP-QZTJIDSGSA-N 2 1 328.497 1.477 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000236681870 443144473 /nfs/dbraw/zinc/14/44/73/443144473.db2.gz CBCHVALVDKCGSX-RBUKOAKNSA-N 2 1 346.519 1.855 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000236681870 443144478 /nfs/dbraw/zinc/14/44/78/443144478.db2.gz CBCHVALVDKCGSX-RBUKOAKNSA-N 2 1 346.519 1.855 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000236681870 443144484 /nfs/dbraw/zinc/14/44/84/443144484.db2.gz CBCHVALVDKCGSX-RBUKOAKNSA-N 2 1 346.519 1.855 20 0 EDADMP CCS(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268815044 443116203 /nfs/dbraw/zinc/11/62/03/443116203.db2.gz PKBVYXRBCUDGER-RDJZCZTQSA-N 2 1 339.505 1.426 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCc3ccc4c(c3)CCO4)C2)CC1 ZINC000266565745 443169905 /nfs/dbraw/zinc/16/99/05/443169905.db2.gz ZQBHSWFNPSOPIG-IBGZPJMESA-N 2 1 329.488 1.876 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)C[NH2+]C3CC3)CC[N@H+]2C2CC2)c1 ZINC000237544511 443175758 /nfs/dbraw/zinc/17/57/58/443175758.db2.gz HEQCLMLQLKARBD-IEBWSBKVSA-N 2 1 329.444 1.841 20 0 EDADMP CC[C@@H](NC(=O)C[NH2+]C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236901707 443151641 /nfs/dbraw/zinc/15/16/41/443151641.db2.gz FFCUQKDYEIXSOV-QZTJIDSGSA-N 2 1 331.460 1.534 20 0 EDADMP CC[C@@H](NC(=O)C[NH2+]C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236901707 443151646 /nfs/dbraw/zinc/15/16/46/443151646.db2.gz FFCUQKDYEIXSOV-QZTJIDSGSA-N 2 1 331.460 1.534 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)cc2F)CC1 ZINC000236994472 443154874 /nfs/dbraw/zinc/15/48/74/443154874.db2.gz MHCPMRLJJNAITA-GDBMZVCRSA-N 2 1 348.466 1.919 20 0 EDADMP C[N@H+]1CC[C@H](c2nc(-c3cccc(N4CC[NH+](C)CC4)n3)no2)C1 ZINC000350113906 319042057 /nfs/dbraw/zinc/04/20/57/319042057.db2.gz IWVTXRWILUEJQB-ZDUSSCGKSA-N 2 1 328.420 1.303 20 0 EDADMP COC[C@@]1(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000382738350 319124839 /nfs/dbraw/zinc/12/48/39/319124839.db2.gz KSQRXPRUJKQIEV-FXAWDEMLSA-N 2 1 345.487 1.736 20 0 EDADMP CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000397458092 319134967 /nfs/dbraw/zinc/13/49/67/319134967.db2.gz WVYSVNWCIDCMNB-INIZCTEOSA-N 2 1 339.480 1.839 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC)C1)[NH+]1CCOCC1 ZINC000413077726 319262932 /nfs/dbraw/zinc/26/29/32/319262932.db2.gz BRLSTOQKKILLJA-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415197662 319349619 /nfs/dbraw/zinc/34/96/19/319349619.db2.gz SUYGETAMBGMOQE-QGZVFWFLSA-N 2 1 342.443 1.361 20 0 EDADMP CN(CC[NH3+])C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000415859154 319379184 /nfs/dbraw/zinc/37/91/84/319379184.db2.gz LDTAPXFPJPYTIE-UHFFFAOYSA-N 2 1 346.475 1.807 20 0 EDADMP CNC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000264504517 443310487 /nfs/dbraw/zinc/31/04/87/443310487.db2.gz OKWRBNXEOJXYEA-HNNXBMFYSA-N 2 1 333.476 1.571 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000416885650 319468973 /nfs/dbraw/zinc/46/89/73/319468973.db2.gz PZBQYHYKYHEKAB-ROUUACIJSA-N 2 1 346.475 1.445 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000416944414 319481831 /nfs/dbraw/zinc/48/18/31/319481831.db2.gz UZVXUSAGFKFIRL-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000269554561 443347050 /nfs/dbraw/zinc/34/70/50/443347050.db2.gz ZKDLYSKMMQHORO-LJQANCHMSA-N 2 1 345.487 1.811 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000264809861 443435157 /nfs/dbraw/zinc/43/51/57/443435157.db2.gz GCSITSARLPJQFI-UHFFFAOYSA-N 2 1 328.420 1.469 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC[N@H+](C)C1CC1 ZINC000264809861 443435159 /nfs/dbraw/zinc/43/51/59/443435159.db2.gz GCSITSARLPJQFI-UHFFFAOYSA-N 2 1 328.420 1.469 20 0 EDADMP Cc1nc2sccn2c1C[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000282637648 443395659 /nfs/dbraw/zinc/39/56/59/443395659.db2.gz BKJJCZJALJSCPS-UHFFFAOYSA-N 2 1 335.477 1.300 20 0 EDADMP Cc1nc2sccn2c1C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000282637648 443395662 /nfs/dbraw/zinc/39/56/62/443395662.db2.gz BKJJCZJALJSCPS-UHFFFAOYSA-N 2 1 335.477 1.300 20 0 EDADMP C[N@@H+](CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)Cc1ccc(F)cc1 ZINC000278995173 443484487 /nfs/dbraw/zinc/48/44/87/443484487.db2.gz LNGGMAVTPVNZJR-AWEZNQCLSA-N 2 1 345.422 1.488 20 0 EDADMP C[C@]1(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000272931107 443493172 /nfs/dbraw/zinc/49/31/72/443493172.db2.gz AQPOQJLWHORYSZ-QUCCMNQESA-N 2 1 345.487 1.783 20 0 EDADMP C[C@]1(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000272931107 443493174 /nfs/dbraw/zinc/49/31/74/443493174.db2.gz AQPOQJLWHORYSZ-QUCCMNQESA-N 2 1 345.487 1.783 20 0 EDADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1C ZINC000423169195 319754811 /nfs/dbraw/zinc/75/48/11/319754811.db2.gz VQCDDEDTJRAUQC-UAFMIMERSA-N 2 1 332.488 1.954 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1csc(CC[NH3+])n1 ZINC000279896878 443636654 /nfs/dbraw/zinc/63/66/54/443636654.db2.gz JEEKCMUEUXEFGX-UHFFFAOYSA-N 2 1 342.428 1.463 20 0 EDADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000274563418 443608673 /nfs/dbraw/zinc/60/86/73/443608673.db2.gz AACBASGKFQHLSI-JFRXWTBNSA-N 2 1 345.487 1.780 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000439359105 320046839 /nfs/dbraw/zinc/04/68/39/320046839.db2.gz NYMRWXGKYJVUBG-OAHLLOKOSA-N 2 1 346.475 1.282 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000276225701 443671074 /nfs/dbraw/zinc/67/10/74/443671074.db2.gz DSMKXRKDVJUOBX-ROUUACIJSA-N 2 1 345.491 1.639 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000276225701 443671076 /nfs/dbraw/zinc/67/10/76/443671076.db2.gz DSMKXRKDVJUOBX-ROUUACIJSA-N 2 1 345.491 1.639 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000276225701 443671079 /nfs/dbraw/zinc/67/10/79/443671079.db2.gz DSMKXRKDVJUOBX-ROUUACIJSA-N 2 1 345.491 1.639 20 0 EDADMP CCc1nc2ccccc2n1CC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452354919 320247781 /nfs/dbraw/zinc/24/77/81/320247781.db2.gz WNLSYIOUCGZIJR-OAHLLOKOSA-N 2 1 344.459 1.562 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000457749079 320334836 /nfs/dbraw/zinc/33/48/36/320334836.db2.gz UQXCKZOTENVGSB-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)C2C[NH+](C3CCCCC3)C2)CC1(C)C ZINC000457774835 320335771 /nfs/dbraw/zinc/33/57/71/320335771.db2.gz JBPYPFDJXCYOPB-UHFFFAOYSA-N 2 1 336.524 1.393 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000458712264 320339121 /nfs/dbraw/zinc/33/91/21/320339121.db2.gz GMISCSMFKOHDAP-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000458712264 320339122 /nfs/dbraw/zinc/33/91/22/320339122.db2.gz GMISCSMFKOHDAP-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000458712264 320339123 /nfs/dbraw/zinc/33/91/23/320339123.db2.gz GMISCSMFKOHDAP-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459320211 320346606 /nfs/dbraw/zinc/34/66/06/320346606.db2.gz SAZBSYYAIICVHU-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459320211 320346607 /nfs/dbraw/zinc/34/66/07/320346607.db2.gz SAZBSYYAIICVHU-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC000488375838 320358054 /nfs/dbraw/zinc/35/80/54/320358054.db2.gz RHRUNDWHCGAOSX-AVEIZBFRSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC000488375838 320358055 /nfs/dbraw/zinc/35/80/55/320358055.db2.gz RHRUNDWHCGAOSX-AVEIZBFRSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC000488375838 320358056 /nfs/dbraw/zinc/35/80/56/320358056.db2.gz RHRUNDWHCGAOSX-AVEIZBFRSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000517233966 320447510 /nfs/dbraw/zinc/44/75/10/320447510.db2.gz LLMCNGLMTJGUHA-JFIYKMOQSA-N 2 1 330.476 1.311 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000526981208 320500812 /nfs/dbraw/zinc/50/08/12/320500812.db2.gz UHZARDDAQHTUQM-ZDUSSCGKSA-N 2 1 344.463 1.827 20 0 EDADMP O=C(CC[N@@H+]1CCC[C@H](CO)CC1)N1CCN(c2ccccn2)CC1 ZINC000292980166 443894465 /nfs/dbraw/zinc/89/44/65/443894465.db2.gz BGOAIPRWJNANQX-KRWDZBQOSA-N 2 1 346.475 1.215 20 0 EDADMP COC1(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CCOCC1 ZINC000277064393 443899014 /nfs/dbraw/zinc/89/90/14/443899014.db2.gz RSVBGIBGWHHIPD-UHFFFAOYSA-N 2 1 347.503 1.719 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000285152727 443875071 /nfs/dbraw/zinc/87/50/71/443875071.db2.gz SOHHPHXJGWEDHB-UHFFFAOYSA-N 2 1 348.491 1.033 20 0 EDADMP CCN(C)[C@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C)c1ccccc1 ZINC000285330164 443943924 /nfs/dbraw/zinc/94/39/24/443943924.db2.gz VHPSSEYIRXRTON-BZSNNMDCSA-N 2 1 333.476 1.857 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C)c1ccccc1 ZINC000285330164 443943926 /nfs/dbraw/zinc/94/39/26/443943926.db2.gz VHPSSEYIRXRTON-BZSNNMDCSA-N 2 1 333.476 1.857 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C)c1ccccc1 ZINC000285330164 443943931 /nfs/dbraw/zinc/94/39/31/443943931.db2.gz VHPSSEYIRXRTON-BZSNNMDCSA-N 2 1 333.476 1.857 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C)c1ccccc1 ZINC000285330164 443943932 /nfs/dbraw/zinc/94/39/32/443943932.db2.gz VHPSSEYIRXRTON-BZSNNMDCSA-N 2 1 333.476 1.857 20 0 EDADMP CC[N@H+](C)[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCCC1)c1ccccc1 ZINC000288652029 443944997 /nfs/dbraw/zinc/94/49/97/443944997.db2.gz YCPUFKOHZRENGH-ZWKOTPCHSA-N 2 1 333.476 1.642 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCCC1)c1ccccc1 ZINC000288652029 443945004 /nfs/dbraw/zinc/94/50/04/443945004.db2.gz YCPUFKOHZRENGH-ZWKOTPCHSA-N 2 1 333.476 1.642 20 0 EDADMP COc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc2c1OCCO2 ZINC000281516394 443933280 /nfs/dbraw/zinc/93/32/80/443933280.db2.gz AJZUVJLAPOUKNU-UHFFFAOYSA-N 2 1 349.475 1.582 20 0 EDADMP CS(=O)(=O)NCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285424183 443979235 /nfs/dbraw/zinc/97/92/35/443979235.db2.gz DVCUYAXSGKYZQQ-QGZVFWFLSA-N 2 1 337.489 1.134 20 0 EDADMP COCCc1ccc(OC[C@H](O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000293590784 444063250 /nfs/dbraw/zinc/06/32/50/444063250.db2.gz OJFOUMICLABAFI-QUCCMNQESA-N 2 1 348.487 1.643 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000293590784 444063253 /nfs/dbraw/zinc/06/32/53/444063253.db2.gz OJFOUMICLABAFI-QUCCMNQESA-N 2 1 348.487 1.643 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000293590784 444063265 /nfs/dbraw/zinc/06/32/65/444063265.db2.gz OJFOUMICLABAFI-QUCCMNQESA-N 2 1 348.487 1.643 20 0 EDADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000557297513 321001959 /nfs/dbraw/zinc/00/19/59/321001959.db2.gz VLAHFEKRLHHFHF-MRXNPFEDSA-N 2 1 346.475 1.135 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000561178395 321035387 /nfs/dbraw/zinc/03/53/87/321035387.db2.gz FKLQGCMHQMHWDK-USXIJHARSA-N 2 1 332.448 1.019 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000561178395 321035388 /nfs/dbraw/zinc/03/53/88/321035388.db2.gz FKLQGCMHQMHWDK-USXIJHARSA-N 2 1 332.448 1.019 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000561281056 321038871 /nfs/dbraw/zinc/03/88/71/321038871.db2.gz VPYCHHYLELKTNI-HZPDHXFCSA-N 2 1 334.468 1.165 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000561281056 321038872 /nfs/dbraw/zinc/03/88/72/321038872.db2.gz VPYCHHYLELKTNI-HZPDHXFCSA-N 2 1 334.468 1.165 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562803601 321077260 /nfs/dbraw/zinc/07/72/60/321077260.db2.gz AOJZBRISEXRYJR-JFIYKMOQSA-N 2 1 348.491 1.703 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562803601 321077261 /nfs/dbraw/zinc/07/72/61/321077261.db2.gz AOJZBRISEXRYJR-JFIYKMOQSA-N 2 1 348.491 1.703 20 0 EDADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000563212871 321100618 /nfs/dbraw/zinc/10/06/18/321100618.db2.gz DGOKEELKTBWJKV-SFHVURJKSA-N 2 1 345.491 1.242 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@@]1(C)C[NH3+] ZINC000564188869 321123489 /nfs/dbraw/zinc/12/34/89/321123489.db2.gz QZCCACDRFUAYKW-XLMAVXFVSA-N 2 1 338.496 1.256 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)NC(C)(C)C[NH3+])c2cccs2)CC1 ZINC000564430505 321131025 /nfs/dbraw/zinc/13/10/25/321131025.db2.gz LDNQSPUFKUYTIU-CYBMUJFWSA-N 2 1 339.509 1.073 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000564466106 321133823 /nfs/dbraw/zinc/13/38/23/321133823.db2.gz JKMPZOIYJMXIKF-HNNXBMFYSA-N 2 1 331.460 1.924 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@@H](C)[C@@H]3C)CC2)CC1 ZINC000565182542 321174136 /nfs/dbraw/zinc/17/41/36/321174136.db2.gz NHGKHNRBURNPMJ-HOTGVXAUSA-N 2 1 337.508 1.819 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)CC[NH2+]C2CC2)[C@H](c2ccccc2)C1 ZINC000565435129 321186505 /nfs/dbraw/zinc/18/65/05/321186505.db2.gz YKUCWPGJLZWTRW-IBGZPJMESA-N 2 1 344.503 1.624 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)CC[NH2+]C2CC2)[C@H](c2ccccc2)C1 ZINC000565435129 321186506 /nfs/dbraw/zinc/18/65/06/321186506.db2.gz YKUCWPGJLZWTRW-IBGZPJMESA-N 2 1 344.503 1.624 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)CC[NH2+]C2CC2)[C@H](c2ccccc2)C1 ZINC000565435129 321186507 /nfs/dbraw/zinc/18/65/07/321186507.db2.gz YKUCWPGJLZWTRW-IBGZPJMESA-N 2 1 344.503 1.624 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000566007207 321210135 /nfs/dbraw/zinc/21/01/35/321210135.db2.gz MAHLRLVGOOZZJF-HOTGVXAUSA-N 2 1 348.495 1.415 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566972223 321237561 /nfs/dbraw/zinc/23/75/61/321237561.db2.gz RTYSERPPGHPLPS-NBOOPKSLSA-N 2 1 348.491 1.701 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566972223 321237563 /nfs/dbraw/zinc/23/75/63/321237563.db2.gz RTYSERPPGHPLPS-NBOOPKSLSA-N 2 1 348.491 1.701 20 0 EDADMP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568392083 321289346 /nfs/dbraw/zinc/28/93/46/321289346.db2.gz CCICHFDETUXLNH-GJZGRUSLSA-N 2 1 339.386 1.001 20 0 EDADMP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568392083 321289347 /nfs/dbraw/zinc/28/93/47/321289347.db2.gz CCICHFDETUXLNH-GJZGRUSLSA-N 2 1 339.386 1.001 20 0 EDADMP C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@@H]1C[NH3+] ZINC000569085387 321317692 /nfs/dbraw/zinc/31/76/92/321317692.db2.gz DDLKRHPDQFGZER-TWMKSMIVSA-N 2 1 338.496 1.256 20 0 EDADMP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289364946 444118979 /nfs/dbraw/zinc/11/89/79/444118979.db2.gz HSRVPCZLLMLYJF-SFHVURJKSA-N 2 1 348.535 1.849 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)C1 ZINC000285787581 444107957 /nfs/dbraw/zinc/10/79/57/444107957.db2.gz OGNSQHYWPWTXBV-RDJZCZTQSA-N 2 1 347.459 1.724 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cn2cc[nH+]c12 ZINC000294638201 444131763 /nfs/dbraw/zinc/13/17/63/444131763.db2.gz GESQJYNVGRJSEY-CQSZACIVSA-N 2 1 343.431 1.381 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cn2cc[nH+]c12 ZINC000294638201 444131768 /nfs/dbraw/zinc/13/17/68/444131768.db2.gz GESQJYNVGRJSEY-CQSZACIVSA-N 2 1 343.431 1.381 20 0 EDADMP CN(CCC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)CC[NH+](C)C ZINC000289473241 444153388 /nfs/dbraw/zinc/15/33/88/444153388.db2.gz RDLVVIBNGWJWLN-UHFFFAOYSA-N 2 1 346.475 1.098 20 0 EDADMP COC(=O)[C@@H]1CC[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000575104858 321514174 /nfs/dbraw/zinc/51/41/74/321514174.db2.gz WQZLIDSVSKHGEW-UONOGXRCSA-N 2 1 346.431 1.361 20 0 EDADMP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c(C)s1 ZINC000576027166 321540532 /nfs/dbraw/zinc/54/05/32/321540532.db2.gz OGOAKMXOTJRNBG-UONOGXRCSA-N 2 1 345.534 1.893 20 0 EDADMP COCCC[NH+]1CCC(Nc2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000301826892 444192585 /nfs/dbraw/zinc/19/25/85/444192585.db2.gz PJPNMKBWEIMAEO-UHFFFAOYSA-N 2 1 330.436 1.884 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289778894 444202201 /nfs/dbraw/zinc/20/22/01/444202201.db2.gz IYHTVTSEMPHCQZ-DLBZAZTESA-N 2 1 347.459 1.247 20 0 EDADMP O=C(NCC[NH+]1CCC(O)CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000297076234 444272170 /nfs/dbraw/zinc/27/21/70/444272170.db2.gz VRDMCWWSKQOFJB-IBGZPJMESA-N 2 1 345.487 1.614 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000303319558 444236251 /nfs/dbraw/zinc/23/62/51/444236251.db2.gz USRWMJFKGHQYAH-HOTGVXAUSA-N 2 1 325.497 1.412 20 0 EDADMP O[C@H](COC[C@H]1CCCO1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000304292076 444245599 /nfs/dbraw/zinc/24/55/99/444245599.db2.gz CXZUGTXOOPYXRS-OKZBNKHCSA-N 2 1 326.481 1.351 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1O ZINC000305755914 444278466 /nfs/dbraw/zinc/27/84/66/444278466.db2.gz BINXAGLLSNSYGB-VQIMIIECSA-N 2 1 345.487 1.601 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)CC2 ZINC000577956449 321699454 /nfs/dbraw/zinc/69/94/54/321699454.db2.gz CHAHRKKRUQXDIN-NVXWUHKLSA-N 2 1 334.464 1.323 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[NH+]1CCC1 ZINC000337675611 444345654 /nfs/dbraw/zinc/34/56/54/444345654.db2.gz ZZVVSAWDFNYZBC-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[NH+](C)[C@H]1CCSC1 ZINC000339979687 444347548 /nfs/dbraw/zinc/34/75/48/444347548.db2.gz BNSXZTXKNSOYTC-FZKCQIBNSA-N 2 1 327.538 1.906 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000339979687 444347550 /nfs/dbraw/zinc/34/75/50/444347550.db2.gz BNSXZTXKNSOYTC-FZKCQIBNSA-N 2 1 327.538 1.906 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000339979687 444347553 /nfs/dbraw/zinc/34/75/53/444347553.db2.gz BNSXZTXKNSOYTC-FZKCQIBNSA-N 2 1 327.538 1.906 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000337812830 444419737 /nfs/dbraw/zinc/41/97/37/444419737.db2.gz MJPHEMOISLMTMY-MOPGFXCFSA-N 2 1 345.487 1.693 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)[C@H](C)C1 ZINC000338009833 444485789 /nfs/dbraw/zinc/48/57/89/444485789.db2.gz WUPAVLKIINYBRW-XDNAFOTISA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000338044463 444497708 /nfs/dbraw/zinc/49/77/08/444497708.db2.gz AVLCKDJPASMIDB-ZHALLVOQSA-N 2 1 344.503 1.574 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000338044463 444497712 /nfs/dbraw/zinc/49/77/12/444497712.db2.gz AVLCKDJPASMIDB-ZHALLVOQSA-N 2 1 344.503 1.574 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000580631632 322075675 /nfs/dbraw/zinc/07/56/75/322075675.db2.gz RPRSPZPFZNSEOH-HZPDHXFCSA-N 2 1 340.512 1.421 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000581121044 322138089 /nfs/dbraw/zinc/13/80/89/322138089.db2.gz OKHTVRPTKIDIFI-KBAYOESNSA-N 2 1 346.475 1.185 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2F)CCCO1 ZINC000581247062 322154041 /nfs/dbraw/zinc/15/40/41/322154041.db2.gz OFAVPPFDLZBGBH-HZPDHXFCSA-N 2 1 340.439 1.656 20 0 EDADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000581304505 322161524 /nfs/dbraw/zinc/16/15/24/322161524.db2.gz HIQOWUYBPYTNKL-UAGQMJEPSA-N 2 1 337.489 1.699 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000581317860 322163890 /nfs/dbraw/zinc/16/38/90/322163890.db2.gz LXURTCXBYASZNE-UHFFFAOYSA-N 2 1 340.418 1.299 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)CCCO)CC2)CC1 ZINC000581438148 322178081 /nfs/dbraw/zinc/17/80/81/322178081.db2.gz HARIIXOKQSVPCB-OAHLLOKOSA-N 2 1 325.497 1.460 20 0 EDADMP Cc1nc2cc(NC(=O)C(=O)N(C)C[C@@H]3CCC[N@H+]3C)ccc2n1C ZINC000581660699 322204645 /nfs/dbraw/zinc/20/46/45/322204645.db2.gz WBIBJNOEHOJUPF-AWEZNQCLSA-N 2 1 343.431 1.373 20 0 EDADMP CC[N@@H+]1CCc2nc(NC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)sc2C1 ZINC000343765194 444574710 /nfs/dbraw/zinc/57/47/10/444574710.db2.gz BMDDRCVHIXBAKM-YOGCLGLASA-N 2 1 348.472 1.274 20 0 EDADMP CC[N@H+]1CCc2nc(NC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)sc2C1 ZINC000343765194 444574714 /nfs/dbraw/zinc/57/47/14/444574714.db2.gz BMDDRCVHIXBAKM-YOGCLGLASA-N 2 1 348.472 1.274 20 0 EDADMP c1ncc(N2CC[N@H+]3CCC[C@@H]3C2)nc1N1CC[NH+]2CCC[C@@H]2C1 ZINC000342246441 444586830 /nfs/dbraw/zinc/58/68/30/444586830.db2.gz RLEKQCGQJZQPBY-HZPDHXFCSA-N 2 1 328.464 1.045 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000343802214 444601252 /nfs/dbraw/zinc/60/12/52/444601252.db2.gz SXVICIZSSPWZBZ-AWEZNQCLSA-N 2 1 333.423 1.191 20 0 EDADMP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCCCO2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000338283711 444611206 /nfs/dbraw/zinc/61/12/06/444611206.db2.gz SVWNEBITDHQSEM-GUDVDZBRSA-N 2 1 339.524 1.878 20 0 EDADMP COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338287708 444612993 /nfs/dbraw/zinc/61/29/93/444612993.db2.gz JMUCFWFUHJFILF-CVEARBPZSA-N 2 1 339.480 1.252 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000341000320 444623934 /nfs/dbraw/zinc/62/39/34/444623934.db2.gz YWMYUDCXOAAEAZ-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000341000320 444623937 /nfs/dbraw/zinc/62/39/37/444623937.db2.gz YWMYUDCXOAAEAZ-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000341000320 444623941 /nfs/dbraw/zinc/62/39/41/444623941.db2.gz YWMYUDCXOAAEAZ-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[NH2+]CC1(F)F ZINC000343860729 444633147 /nfs/dbraw/zinc/63/31/47/444633147.db2.gz GHXCPYHICOBVFN-HNNXBMFYSA-N 2 1 338.402 1.659 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCc3sccc3C2)CCC[N@@H+]1C ZINC000343899513 444655275 /nfs/dbraw/zinc/65/52/75/444655275.db2.gz YWBDLAJSPHKOIH-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCc3sccc3C2)CCC[N@H+]1C ZINC000343899513 444655279 /nfs/dbraw/zinc/65/52/79/444655279.db2.gz YWBDLAJSPHKOIH-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)CCC[NH+]1C ZINC000343899513 444655282 /nfs/dbraw/zinc/65/52/82/444655282.db2.gz YWBDLAJSPHKOIH-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)CCC[NH+]1C ZINC000343899513 444655288 /nfs/dbraw/zinc/65/52/88/444655288.db2.gz YWBDLAJSPHKOIH-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341112832 444679612 /nfs/dbraw/zinc/67/96/12/444679612.db2.gz CANVZADKIOZKLD-HOTGVXAUSA-N 2 1 328.501 1.517 20 0 EDADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343984979 444709277 /nfs/dbraw/zinc/70/92/77/444709277.db2.gz MEYXLGFYRWWBSJ-INIZCTEOSA-N 2 1 329.448 1.923 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000333919324 444718487 /nfs/dbraw/zinc/71/84/87/444718487.db2.gz OZOILYVYDRNRHW-HZMVEIRTSA-N 2 1 338.496 1.031 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000333919332 444719037 /nfs/dbraw/zinc/71/90/37/444719037.db2.gz OZOILYVYDRNRHW-VQHPVUNQSA-N 2 1 338.496 1.031 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC[NH+](CC)C2CC2)C[C@H]1CC ZINC000342657238 444800047 /nfs/dbraw/zinc/80/00/47/444800047.db2.gz SCXDPELNJBSPRG-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@H+](CC)C2CC2)C[C@H]1CC ZINC000342657238 444800051 /nfs/dbraw/zinc/80/00/51/444800051.db2.gz SCXDPELNJBSPRG-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+](CC)C2CC2)C[C@H]1CC ZINC000342657238 444800055 /nfs/dbraw/zinc/80/00/55/444800055.db2.gz SCXDPELNJBSPRG-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000342662206 444802544 /nfs/dbraw/zinc/80/25/44/444802544.db2.gz OUEBSBFPBHNFKW-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccccn1)[NH+]1CCSCC1 ZINC000344142646 444805314 /nfs/dbraw/zinc/80/53/14/444805314.db2.gz NRUXKBOPCBHAGE-OAHLLOKOSA-N 2 1 336.505 1.409 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]CC2(F)F)[C@H](C)C1 ZINC000342689326 444814682 /nfs/dbraw/zinc/81/46/82/444814682.db2.gz DXIPHZZFBSHJHF-KFWWJZLASA-N 2 1 347.450 1.484 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]CC2(F)F)[C@H](C)C1 ZINC000342689326 444814684 /nfs/dbraw/zinc/81/46/84/444814684.db2.gz DXIPHZZFBSHJHF-KFWWJZLASA-N 2 1 347.450 1.484 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+]CC2(F)F)[C@H](C)C1 ZINC000342689325 444814975 /nfs/dbraw/zinc/81/49/75/444814975.db2.gz DXIPHZZFBSHJHF-ILXRZTDVSA-N 2 1 347.450 1.484 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+]CC2(F)F)[C@H](C)C1 ZINC000342689325 444814978 /nfs/dbraw/zinc/81/49/78/444814978.db2.gz DXIPHZZFBSHJHF-ILXRZTDVSA-N 2 1 347.450 1.484 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2C)CC[N@@H+]1C[C@@H](C)O ZINC000338727501 444823308 /nfs/dbraw/zinc/82/33/08/444823308.db2.gz BMMRRWYRASNPCN-GDBMZVCRSA-N 2 1 337.468 1.068 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2C)CC[N@H+]1C[C@@H](C)O ZINC000338727501 444823313 /nfs/dbraw/zinc/82/33/13/444823313.db2.gz BMMRRWYRASNPCN-GDBMZVCRSA-N 2 1 337.468 1.068 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCOCC2)CC1 ZINC000344205469 444839320 /nfs/dbraw/zinc/83/93/20/444839320.db2.gz CAPCBNLSDKQLBK-UHFFFAOYSA-N 2 1 345.487 1.798 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCOCC2)CC1 ZINC000344205469 444839323 /nfs/dbraw/zinc/83/93/23/444839323.db2.gz CAPCBNLSDKQLBK-UHFFFAOYSA-N 2 1 345.487 1.798 20 0 EDADMP Cc1nc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)nc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)n1 ZINC000338791406 444853639 /nfs/dbraw/zinc/85/36/39/444853639.db2.gz FHPVTZUJKVSKRA-TUVASFSCSA-N 2 1 347.511 1.238 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000342764642 444854851 /nfs/dbraw/zinc/85/48/51/444854851.db2.gz JDOZWTYQXWDFQX-KBMXLJTQSA-N 2 1 333.432 1.219 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000342766024 444855570 /nfs/dbraw/zinc/85/55/70/444855570.db2.gz RQVHZVKNVHZJOD-XIRDDKMYSA-N 2 1 347.459 1.436 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@@H+]2C[C@@H](c3ccccc3)[C@@H](C[NH3+])C2)C1=O ZINC000337041373 444913396 /nfs/dbraw/zinc/91/33/96/444913396.db2.gz BKWREOXUQCRVMB-HOTGVXAUSA-N 2 1 344.459 1.381 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000337064889 444925502 /nfs/dbraw/zinc/92/55/02/444925502.db2.gz ZKDJOVSFUPETGM-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)[NH+]1CCC(N2CC[NH+](CCN3CCO[C@@H](C)C3)CC2)CC1 ZINC000337318876 445031085 /nfs/dbraw/zinc/03/10/85/445031085.db2.gz NDVYRSBJGZGSSZ-SFHVURJKSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000330654938 445081690 /nfs/dbraw/zinc/08/16/90/445081690.db2.gz NPDDSBZCXXMZOH-WFASDCNBSA-N 2 1 345.896 1.548 20 0 EDADMP CSCc1cnc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)s1 ZINC000339236659 445106497 /nfs/dbraw/zinc/10/64/97/445106497.db2.gz GZNBGEZBSCNRGJ-CYBMUJFWSA-N 2 1 328.551 1.979 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000342097569 445170516 /nfs/dbraw/zinc/17/05/16/445170516.db2.gz IEANGODVFDVPLW-VHDGCEQUSA-N 2 1 331.416 1.803 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000339825279 445171832 /nfs/dbraw/zinc/17/18/32/445171832.db2.gz ZLOOQTBALJFMGM-HOTGVXAUSA-N 2 1 328.501 1.373 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000339825279 445171836 /nfs/dbraw/zinc/17/18/36/445171836.db2.gz ZLOOQTBALJFMGM-HOTGVXAUSA-N 2 1 328.501 1.373 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339825279 445171837 /nfs/dbraw/zinc/17/18/37/445171837.db2.gz ZLOOQTBALJFMGM-HOTGVXAUSA-N 2 1 328.501 1.373 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000339499092 445146702 /nfs/dbraw/zinc/14/67/02/445146702.db2.gz BQLNNDZWDYCINK-GOSISDBHSA-N 2 1 348.491 1.133 20 0 EDADMP COc1ccc(OC)c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000346070527 445205594 /nfs/dbraw/zinc/20/55/94/445205594.db2.gz NNWQXMNGNKMQFY-HUUCEWRRSA-N 2 1 349.475 1.942 20 0 EDADMP COc1ccc(OC)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000346070527 445205595 /nfs/dbraw/zinc/20/55/95/445205595.db2.gz NNWQXMNGNKMQFY-HUUCEWRRSA-N 2 1 349.475 1.942 20 0 EDADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000346117052 445206703 /nfs/dbraw/zinc/20/67/03/445206703.db2.gz XLDMCRIDCLQRPN-RHSMWYFYSA-N 2 1 346.475 1.883 20 0 EDADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000346117052 445206704 /nfs/dbraw/zinc/20/67/04/445206704.db2.gz XLDMCRIDCLQRPN-RHSMWYFYSA-N 2 1 346.475 1.883 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CCC[N@@H+]1C ZINC000343465386 445227559 /nfs/dbraw/zinc/22/75/59/445227559.db2.gz UYCFTGGJQGUAMC-HOCLYGCPSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CCC[N@H+]1C ZINC000343465386 445227561 /nfs/dbraw/zinc/22/75/61/445227561.db2.gz UYCFTGGJQGUAMC-HOCLYGCPSA-N 2 1 333.480 1.231 20 0 EDADMP CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000346954295 445228647 /nfs/dbraw/zinc/22/86/47/445228647.db2.gz AVHZQDGOKRGDJO-HUUCEWRRSA-N 2 1 337.468 1.284 20 0 EDADMP CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000346954295 445228648 /nfs/dbraw/zinc/22/86/48/445228648.db2.gz AVHZQDGOKRGDJO-HUUCEWRRSA-N 2 1 337.468 1.284 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C[C@@H]1CC ZINC000346818200 445225954 /nfs/dbraw/zinc/22/59/54/445225954.db2.gz GQKHORUBZINSMN-ZACQAIPSSA-N 2 1 325.497 1.819 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C[C@@H]1CC ZINC000346818200 445225955 /nfs/dbraw/zinc/22/59/55/445225955.db2.gz GQKHORUBZINSMN-ZACQAIPSSA-N 2 1 325.497 1.819 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[N@@H+](C)C2CCCC2)[NH+](C)C1 ZINC000347083825 445231432 /nfs/dbraw/zinc/23/14/32/445231432.db2.gz CYDMKPPZKYHFIA-HZPDHXFCSA-N 2 1 326.485 1.221 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[NH+](C)C2CCCC2)[N@H+](C)C1 ZINC000347083825 445231433 /nfs/dbraw/zinc/23/14/33/445231433.db2.gz CYDMKPPZKYHFIA-HZPDHXFCSA-N 2 1 326.485 1.221 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[NH+](C)C2CCCC2)[N@@H+](C)C1 ZINC000347083825 445231434 /nfs/dbraw/zinc/23/14/34/445231434.db2.gz CYDMKPPZKYHFIA-HZPDHXFCSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@H](C(=O)NC[C@H]1OCC[N@H+](CC)[C@H]1c1ccccc1)[NH+](C)C ZINC000347492761 445239805 /nfs/dbraw/zinc/23/98/05/445239805.db2.gz VQWMBXIEBSTDCE-KURKYZTESA-N 2 1 333.476 1.905 20 0 EDADMP CC[C@H](C(=O)NC[C@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1)[NH+](C)C ZINC000347492761 445239807 /nfs/dbraw/zinc/23/98/07/445239807.db2.gz VQWMBXIEBSTDCE-KURKYZTESA-N 2 1 333.476 1.905 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343602110 445259471 /nfs/dbraw/zinc/25/94/71/445259471.db2.gz QUCBAXOCNGWREG-PKOBYXMFSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343602110 445259474 /nfs/dbraw/zinc/25/94/74/445259474.db2.gz QUCBAXOCNGWREG-PKOBYXMFSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343602110 445259476 /nfs/dbraw/zinc/25/94/76/445259476.db2.gz QUCBAXOCNGWREG-PKOBYXMFSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343602110 445259479 /nfs/dbraw/zinc/25/94/79/445259479.db2.gz QUCBAXOCNGWREG-PKOBYXMFSA-N 2 1 342.487 1.109 20 0 EDADMP C[NH+](C)Cc1cnc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)s1 ZINC000354492156 445261502 /nfs/dbraw/zinc/26/15/02/445261502.db2.gz JDNUMAHXRNGSRO-MRXNPFEDSA-N 2 1 339.505 1.862 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000348379656 445270997 /nfs/dbraw/zinc/27/09/97/445270997.db2.gz KXBWRLRYYJMAAA-HRCADAONSA-N 2 1 340.512 1.070 20 0 EDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348119535 445277655 /nfs/dbraw/zinc/27/76/55/445277655.db2.gz MSZQHYXMTBTJJI-IKGGRYGDSA-N 2 1 335.471 1.805 20 0 EDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348119535 445277659 /nfs/dbraw/zinc/27/76/59/445277659.db2.gz MSZQHYXMTBTJJI-IKGGRYGDSA-N 2 1 335.471 1.805 20 0 EDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348119535 445277661 /nfs/dbraw/zinc/27/76/61/445277661.db2.gz MSZQHYXMTBTJJI-IKGGRYGDSA-N 2 1 335.471 1.805 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000351859699 445345889 /nfs/dbraw/zinc/34/58/89/445345889.db2.gz GUEKYGVMTKELLF-HUUCEWRRSA-N 2 1 334.439 1.143 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000351859699 445345890 /nfs/dbraw/zinc/34/58/90/445345890.db2.gz GUEKYGVMTKELLF-HUUCEWRRSA-N 2 1 334.439 1.143 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)C[C@@H](C)[C@@H]2C)C1 ZINC000355781475 445478222 /nfs/dbraw/zinc/47/82/22/445478222.db2.gz CTQMTBHUBLAKQN-ZJPYXAASSA-N 2 1 339.524 1.826 20 0 EDADMP CN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000352034462 445453211 /nfs/dbraw/zinc/45/32/11/445453211.db2.gz BZOLYJZQJFNGPM-KRWDZBQOSA-N 2 1 343.475 1.142 20 0 EDADMP CN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000352034462 445453216 /nfs/dbraw/zinc/45/32/16/445453216.db2.gz BZOLYJZQJFNGPM-KRWDZBQOSA-N 2 1 343.475 1.142 20 0 EDADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000352054206 445462014 /nfs/dbraw/zinc/46/20/14/445462014.db2.gz ZYXBMBQWLHJOCY-INIZCTEOSA-N 2 1 327.513 1.970 20 0 EDADMP CC[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000357170471 445464958 /nfs/dbraw/zinc/46/49/58/445464958.db2.gz FKDDZHPHYZTLQY-ZWKOTPCHSA-N 2 1 331.460 1.318 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@]23C[NH2+]C[C@@H]2CCCC3)C[C@H](C)O1 ZINC000357171667 445465776 /nfs/dbraw/zinc/46/57/76/445465776.db2.gz HBCHCMCVYKVQPV-ZMMAXQRCSA-N 2 1 337.508 1.772 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)C[C@H](C)O1 ZINC000362617582 445466177 /nfs/dbraw/zinc/46/61/77/445466177.db2.gz RCLITCLPHQBWQC-IYBDPMFKSA-N 2 1 347.507 1.864 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)C[C@H](C)O1 ZINC000362617582 445466181 /nfs/dbraw/zinc/46/61/81/445466181.db2.gz RCLITCLPHQBWQC-IYBDPMFKSA-N 2 1 347.507 1.864 20 0 EDADMP O=C1CNCCN1[C@@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000362671112 445491396 /nfs/dbraw/zinc/49/13/96/445491396.db2.gz KREOPDCCEYMIQD-OAHLLOKOSA-N 2 1 331.391 1.968 20 0 EDADMP COCCOc1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000349302479 445559784 /nfs/dbraw/zinc/55/97/84/445559784.db2.gz WZSPAZJTYHHZBH-UHFFFAOYSA-N 2 1 335.492 1.781 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000353096211 445575448 /nfs/dbraw/zinc/57/54/48/445575448.db2.gz ILTBLWAKVQCMNH-HNNXBMFYSA-N 2 1 327.517 1.042 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000357760500 445580242 /nfs/dbraw/zinc/58/02/42/445580242.db2.gz LBMIXEHVXBXSKB-ARFHVFGLSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000357760500 445580245 /nfs/dbraw/zinc/58/02/45/445580245.db2.gz LBMIXEHVXBXSKB-ARFHVFGLSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000357760500 445580248 /nfs/dbraw/zinc/58/02/48/445580248.db2.gz LBMIXEHVXBXSKB-ARFHVFGLSA-N 2 1 326.485 1.221 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360038360 445539535 /nfs/dbraw/zinc/53/95/35/445539535.db2.gz NGIWOPXZBKGMPM-JKSUJKDBSA-N 2 1 348.491 1.848 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000362910140 445606375 /nfs/dbraw/zinc/60/63/75/445606375.db2.gz AZOPNGGXISWXTB-YOEHRIQHSA-N 2 1 345.491 1.748 20 0 EDADMP CO[C@@H](C[NH3+])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353451948 445607614 /nfs/dbraw/zinc/60/76/14/445607614.db2.gz QBEUTYIVGDXSJZ-PKOBYXMFSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000362916655 445608805 /nfs/dbraw/zinc/60/88/05/445608805.db2.gz CAXLNJDASUCRMM-RDJZCZTQSA-N 2 1 347.507 1.431 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000356088793 445613023 /nfs/dbraw/zinc/61/30/23/445613023.db2.gz JSABABSQEUPUAQ-DOTOQJQBSA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+]1CCN(C)CC1 ZINC000358466602 445621767 /nfs/dbraw/zinc/62/17/67/445621767.db2.gz YCAQAZXEUHAWAX-IAGOWNOFSA-N 2 1 341.544 1.286 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)N1CC[NH+](C)CC1 ZINC000358466602 445621771 /nfs/dbraw/zinc/62/17/71/445621771.db2.gz YCAQAZXEUHAWAX-IAGOWNOFSA-N 2 1 341.544 1.286 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)N1CC[NH+](C)CC1 ZINC000358466602 445621773 /nfs/dbraw/zinc/62/17/73/445621773.db2.gz YCAQAZXEUHAWAX-IAGOWNOFSA-N 2 1 341.544 1.286 20 0 EDADMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1(C(=O)OC)CCC1 ZINC000353553115 445653513 /nfs/dbraw/zinc/65/35/13/445653513.db2.gz QCEFLUXCAGRUKH-CABCVRRESA-N 2 1 339.480 1.285 20 0 EDADMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1(C(=O)OC)CCC1 ZINC000353553116 445653532 /nfs/dbraw/zinc/65/35/32/445653532.db2.gz QCEFLUXCAGRUKH-GJZGRUSLSA-N 2 1 339.480 1.285 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000356160658 445655060 /nfs/dbraw/zinc/65/50/60/445655060.db2.gz YOTKIQXMGKPIJH-LTIDMASMSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](CO)c2ccccc2)CC1 ZINC000358573684 445657619 /nfs/dbraw/zinc/65/76/19/445657619.db2.gz AFMDOUCXTUNMTO-SFHVURJKSA-N 2 1 333.476 1.641 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](CO)c2ccccc2)CC1 ZINC000358573684 445657625 /nfs/dbraw/zinc/65/76/25/445657625.db2.gz AFMDOUCXTUNMTO-SFHVURJKSA-N 2 1 333.476 1.641 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)CC(C)C ZINC000358658437 445697906 /nfs/dbraw/zinc/69/79/06/445697906.db2.gz DZIAEKHVNSJGNZ-NVXWUHKLSA-N 2 1 328.501 1.109 20 0 EDADMP O=C(C[NH2+]Cc1cnn(CC(F)F)c1)NCC[NH+]1CCCCCC1 ZINC000353671531 445701299 /nfs/dbraw/zinc/70/12/99/445701299.db2.gz OCVKMTTXZXTANW-UHFFFAOYSA-N 2 1 343.422 1.230 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363180932 445710283 /nfs/dbraw/zinc/71/02/83/445710283.db2.gz OHSJZZWSGOROME-KSZLIROESA-N 2 1 334.508 1.988 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353727021 445727280 /nfs/dbraw/zinc/72/72/80/445727280.db2.gz WNIBBRWJPQDENP-UHFFFAOYSA-N 2 1 336.480 1.193 20 0 EDADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358723029 445743126 /nfs/dbraw/zinc/74/31/26/445743126.db2.gz OXXVUZFVVCKMQG-KXBFYZLASA-N 2 1 348.491 1.482 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000350024460 445751480 /nfs/dbraw/zinc/75/14/80/445751480.db2.gz AKQGXZICVHUYLB-HNNXBMFYSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000350026287 445752463 /nfs/dbraw/zinc/75/24/63/445752463.db2.gz JQQUYQHRBYRUGB-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000361227286 445755420 /nfs/dbraw/zinc/75/54/20/445755420.db2.gz FPTNADMNIBZDJW-LSDHHAIUSA-N 2 1 327.266 1.819 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000353932569 445817054 /nfs/dbraw/zinc/81/70/54/445817054.db2.gz MXVZQVSPODPKTO-MRXNPFEDSA-N 2 1 345.487 1.979 20 0 EDADMP COCCNC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363360429 445780640 /nfs/dbraw/zinc/78/06/40/445780640.db2.gz HVOIHFSEGJBTSH-UHFFFAOYSA-N 2 1 326.485 1.128 20 0 EDADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000361502113 445791162 /nfs/dbraw/zinc/79/11/62/445791162.db2.gz VNDCNUSEXXFPAW-ROUUACIJSA-N 2 1 349.519 1.822 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCCC1 ZINC000358831133 445798309 /nfs/dbraw/zinc/79/83/09/445798309.db2.gz PSBWPUONKSTFKZ-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000356532539 445845704 /nfs/dbraw/zinc/84/57/04/445845704.db2.gz NHAFGUOHVRSQPR-UHFFFAOYSA-N 2 1 338.496 1.365 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)c1ccnc(C[NH3+])c1)[NH+](C)C ZINC000361620071 445850908 /nfs/dbraw/zinc/85/09/08/445850908.db2.gz HWFKOBXAIWZSGO-INIZCTEOSA-N 2 1 328.416 1.582 20 0 EDADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC000356591143 445875603 /nfs/dbraw/zinc/87/56/03/445875603.db2.gz CMIYADKIGZGQLJ-SFHVURJKSA-N 2 1 338.540 1.737 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000361775469 445933667 /nfs/dbraw/zinc/93/36/67/445933667.db2.gz WGEGCYVUPQNVFA-ULQDDVLXSA-N 2 1 339.528 1.137 20 0 EDADMP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000356624942 445894599 /nfs/dbraw/zinc/89/45/99/445894599.db2.gz UOSHMUHLKNPVJT-SFHVURJKSA-N 2 1 336.524 1.491 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000372899842 445910933 /nfs/dbraw/zinc/91/09/33/445910933.db2.gz LWJAKSBXVLMACK-RVKKMQEKSA-N 2 1 334.464 1.620 20 0 EDADMP CN1CCN(c2ncc(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)cn2)CC1 ZINC000354176059 445971446 /nfs/dbraw/zinc/97/14/46/445971446.db2.gz IMLWWEGCVZXKSJ-IBGZPJMESA-N 2 1 344.507 1.146 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[C@@]4(C3)CCC[N@H+](C)C4)cn2)CC1 ZINC000354176059 445971454 /nfs/dbraw/zinc/97/14/54/445971454.db2.gz IMLWWEGCVZXKSJ-IBGZPJMESA-N 3 1 344.507 1.146 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)cn2)CC1 ZINC000354176059 445971459 /nfs/dbraw/zinc/97/14/59/445971459.db2.gz IMLWWEGCVZXKSJ-IBGZPJMESA-N 3 1 344.507 1.146 20 0 EDADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@@H]1CCS(=O)(=O)C1)CC2)C1CC1 ZINC000365046937 445990556 /nfs/dbraw/zinc/99/05/56/445990556.db2.gz XQCIFACBBKJDKR-GJZGRUSLSA-N 2 1 326.506 1.617 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)[C@@H]2C1 ZINC000373120523 446042804 /nfs/dbraw/zinc/04/28/04/446042804.db2.gz GGHCVWBJVBQFOA-IAGOWNOFSA-N 2 1 335.492 1.574 20 0 EDADMP CCCCOC[C@@H](O)C[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000365126441 446043032 /nfs/dbraw/zinc/04/30/32/446043032.db2.gz REUPJFXLWHBFMK-SFHVURJKSA-N 2 1 328.497 1.739 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000583133872 326008581 /nfs/dbraw/zinc/00/85/81/326008581.db2.gz VLZPXHJKGOITBG-DYVFJYSZSA-N 2 1 343.431 1.529 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000359223917 446053860 /nfs/dbraw/zinc/05/38/60/446053860.db2.gz KSLFKUBHLPVGDB-MRXNPFEDSA-N 2 1 346.475 1.663 20 0 EDADMP Cn1cc([C@@H]2C[C@H]2C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1 ZINC000583607829 326103015 /nfs/dbraw/zinc/10/30/15/326103015.db2.gz ZVGDKPRMBNTIKT-LSDHHAIUSA-N 2 1 340.431 1.309 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351476218 446077197 /nfs/dbraw/zinc/07/71/97/446077197.db2.gz KCCJCSLWEXNSFA-WDSOQIARSA-N 2 1 345.487 1.802 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351476218 446077204 /nfs/dbraw/zinc/07/72/04/446077204.db2.gz KCCJCSLWEXNSFA-WDSOQIARSA-N 2 1 345.487 1.802 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000369660145 446141694 /nfs/dbraw/zinc/14/16/94/446141694.db2.gz GJPSGMRQGLSYMJ-UHFFFAOYSA-N 2 1 340.512 1.472 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)NCC[NH+]2CCC[C@@H](C)C2)CC1 ZINC000369660402 446141810 /nfs/dbraw/zinc/14/18/10/446141810.db2.gz IOVROSOOKREIHV-QGZVFWFLSA-N 2 1 340.512 1.472 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000369660402 446141816 /nfs/dbraw/zinc/14/18/16/446141816.db2.gz IOVROSOOKREIHV-QGZVFWFLSA-N 2 1 340.512 1.472 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000369660402 446141822 /nfs/dbraw/zinc/14/18/22/446141822.db2.gz IOVROSOOKREIHV-QGZVFWFLSA-N 2 1 340.512 1.472 20 0 EDADMP C[C@H]1CN([C@@H](CNc2cc[nH+]c(N(C)C)n2)c2cccs2)CCO1 ZINC000354353976 446137090 /nfs/dbraw/zinc/13/70/90/446137090.db2.gz OANBYRAQGURCRO-KBPBESRZSA-N 2 1 347.488 2.478 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCc3ccc(OC(F)F)cc3)C[C@H]12 ZINC000351494550 446098387 /nfs/dbraw/zinc/09/83/87/446098387.db2.gz OFPJKYNXLXYZSG-VHDGCEQUSA-N 2 1 339.386 1.573 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCc3ccc(OC(F)F)cc3)C[C@H]12 ZINC000351494550 446098394 /nfs/dbraw/zinc/09/83/94/446098394.db2.gz OFPJKYNXLXYZSG-VHDGCEQUSA-N 2 1 339.386 1.573 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000356894382 446101714 /nfs/dbraw/zinc/10/17/14/446101714.db2.gz LBBONSUXGBSFTQ-IAGOWNOFSA-N 2 1 327.513 1.802 20 0 EDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@H]1C ZINC000354331184 446118158 /nfs/dbraw/zinc/11/81/58/446118158.db2.gz QIQFMLUIVIOKHU-JONQDZQNSA-N 2 1 339.480 1.141 20 0 EDADMP C[C@@H](C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000373247163 446119412 /nfs/dbraw/zinc/11/94/12/446119412.db2.gz YLEPSSPWCBVFQR-TWMKSMIVSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H](C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000373247163 446119419 /nfs/dbraw/zinc/11/94/19/446119419.db2.gz YLEPSSPWCBVFQR-TWMKSMIVSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H](C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000373247163 446119424 /nfs/dbraw/zinc/11/94/24/446119424.db2.gz YLEPSSPWCBVFQR-TWMKSMIVSA-N 2 1 337.508 1.959 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000354407870 446184393 /nfs/dbraw/zinc/18/43/93/446184393.db2.gz KTTGFVAYQFNHCT-ZWKOTPCHSA-N 2 1 338.540 1.639 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@@H]3CC[NH+](C4CC4)C3)CC2)CCO1 ZINC000359381099 446186346 /nfs/dbraw/zinc/18/63/46/446186346.db2.gz BKKZFGJJSNXAKW-HUUCEWRRSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CCO1 ZINC000359381099 446186350 /nfs/dbraw/zinc/18/63/50/446186350.db2.gz BKKZFGJJSNXAKW-HUUCEWRRSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)CCO1 ZINC000359381099 446186354 /nfs/dbraw/zinc/18/63/54/446186354.db2.gz BKKZFGJJSNXAKW-HUUCEWRRSA-N 2 1 336.480 1.118 20 0 EDADMP CN(CC[N@H+](C)C1CC1)C(=O)[C@]1([NH+](C)C)CCOc2ccccc21 ZINC000373504674 446241737 /nfs/dbraw/zinc/24/17/37/446241737.db2.gz NVCXQFITQXTLMO-IBGZPJMESA-N 2 1 331.460 1.779 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@]1([NH+](C)C)CCOc2ccccc21 ZINC000373504674 446241742 /nfs/dbraw/zinc/24/17/42/446241742.db2.gz NVCXQFITQXTLMO-IBGZPJMESA-N 2 1 331.460 1.779 20 0 EDADMP CCN(C(=O)C[N@H+]1CC[C@H](CN2CCOCC2)C1)C1CCCCC1 ZINC000365570335 446258005 /nfs/dbraw/zinc/25/80/05/446258005.db2.gz OHCCZGCUDIIDKG-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@@H]1CCC[N@H+]1C1CCN(C[C@@H](O)COC2CCOCC2)CC1 ZINC000366585903 446269507 /nfs/dbraw/zinc/26/95/07/446269507.db2.gz OEMKXNMICLFBFI-NVXWUHKLSA-N 2 1 326.481 1.492 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000365660158 446291388 /nfs/dbraw/zinc/29/13/88/446291388.db2.gz FHHIKBSRKSRJJK-CRAIPNDOSA-N 2 1 343.487 1.816 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCCO1 ZINC000365660158 446291391 /nfs/dbraw/zinc/29/13/91/446291391.db2.gz FHHIKBSRKSRJJK-CRAIPNDOSA-N 2 1 343.487 1.816 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCCO1 ZINC000365660158 446291393 /nfs/dbraw/zinc/29/13/93/446291393.db2.gz FHHIKBSRKSRJJK-CRAIPNDOSA-N 2 1 343.487 1.816 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(CCOCC(F)(F)C(F)F)CC2)C1 ZINC000373746372 446321784 /nfs/dbraw/zinc/32/17/84/446321784.db2.gz NZMKZIDKCAJGSB-ZDUSSCGKSA-N 2 1 341.393 1.615 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000417340037 446347729 /nfs/dbraw/zinc/34/77/29/446347729.db2.gz LUHLUVGAHFSJBM-HNNXBMFYSA-N 2 1 330.476 1.827 20 0 EDADMP O=C(NCC1CC[NH+](C2CC2)CC1)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000365815930 446353958 /nfs/dbraw/zinc/35/39/58/446353958.db2.gz LZZCJCRKBOQPHT-OAHLLOKOSA-N 2 1 331.464 1.619 20 0 EDADMP COCC1(CNC(=O)NCC[N@@H+](C)C2CCCC2)CC[NH2+]CC1 ZINC000417500581 446355954 /nfs/dbraw/zinc/35/59/54/446355954.db2.gz ARSXDIASIOEPSC-UHFFFAOYSA-N 2 1 326.485 1.176 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417578870 446365298 /nfs/dbraw/zinc/36/52/98/446365298.db2.gz AYYQNHSFAFJGOK-HNNXBMFYSA-N 2 1 340.512 1.837 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)[N@@H+](C)Cc1ccccc1 ZINC000417592786 446366189 /nfs/dbraw/zinc/36/61/89/446366189.db2.gz UHMZXUQYJWVUJB-OCCSQVGLSA-N 2 1 328.407 1.789 20 0 EDADMP C[C@@H](CC(=O)N(C)C)[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370662840 446378323 /nfs/dbraw/zinc/37/83/23/446378323.db2.gz OYCVGSWUJRTEHP-INIZCTEOSA-N 3 1 338.540 1.639 20 0 EDADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1=O ZINC000423123485 446431569 /nfs/dbraw/zinc/43/15/69/446431569.db2.gz DXUXEFRNASIOBB-KZNAEPCWSA-N 2 1 341.455 1.785 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000418136777 446441130 /nfs/dbraw/zinc/44/11/30/446441130.db2.gz ILDGCLKTCQSKMB-QZTJIDSGSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000418128269 446441966 /nfs/dbraw/zinc/44/19/66/446441966.db2.gz APNDTBFBRFHTOR-YJBOKZPZSA-N 2 1 330.476 1.900 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(c3ccccc3CO)CC2)CC1 ZINC000366914121 446408639 /nfs/dbraw/zinc/40/86/39/446408639.db2.gz VMXWJADMKWTHPV-UHFFFAOYSA-N 2 1 345.487 1.522 20 0 EDADMP CC(C)(CCC[NH3+])NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000417999118 446410952 /nfs/dbraw/zinc/41/09/52/446410952.db2.gz UNAQVLGWIJPDPI-KRWDZBQOSA-N 2 1 348.491 1.570 20 0 EDADMP C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418009367 446414822 /nfs/dbraw/zinc/41/48/22/446414822.db2.gz PALCVMKLJVKLBW-BMGDILEWSA-N 2 1 330.476 1.934 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCC[N@H+]1C ZINC000418013555 446416449 /nfs/dbraw/zinc/41/64/49/446416449.db2.gz ZJTSIEISXTVQTI-LBZRDPAVSA-N 2 1 334.508 1.922 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423323524 446487986 /nfs/dbraw/zinc/48/79/86/446487986.db2.gz HZWRGDAIBPDERL-OAHLLOKOSA-N 2 1 336.484 1.401 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423334003 446493395 /nfs/dbraw/zinc/49/33/95/446493395.db2.gz QFTMLARFYMTEKO-GJZGRUSLSA-N 2 1 333.480 1.491 20 0 EDADMP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420331613 446501163 /nfs/dbraw/zinc/50/11/63/446501163.db2.gz RAULGZJDUAUDLC-RBUKOAKNSA-N 2 1 345.487 1.771 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCOc1ccccc1 ZINC000420337931 446507815 /nfs/dbraw/zinc/50/78/15/446507815.db2.gz KJFPJXMIVVBDSJ-DLBZAZTESA-N 2 1 331.460 1.503 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418366339 446516287 /nfs/dbraw/zinc/51/62/87/446516287.db2.gz POIGWFFDQJTKHL-RYQLBKOJSA-N 2 1 348.491 1.024 20 0 EDADMP CN(C(=O)NCCC[NH3+])[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000418349616 446508974 /nfs/dbraw/zinc/50/89/74/446508974.db2.gz KRXOZSNEHOMIBE-DLBZAZTESA-N 2 1 339.528 1.314 20 0 EDADMP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344855 446516373 /nfs/dbraw/zinc/51/63/73/446516373.db2.gz UVUNNZHXCGROKJ-DOTOQJQBSA-N 2 1 331.460 1.633 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343114 446515860 /nfs/dbraw/zinc/51/58/60/446515860.db2.gz RCLIZTFWIANHPN-LISAXSMJSA-N 2 1 343.471 1.946 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]C1 ZINC000423361209 446500098 /nfs/dbraw/zinc/50/00/98/446500098.db2.gz RGPXSDANRJVMAW-ICSRJNTNSA-N 2 1 345.487 1.293 20 0 EDADMP [NH3+]CCCN1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000420383628 446558475 /nfs/dbraw/zinc/55/84/75/446558475.db2.gz ZSVKMLFZLQIHKC-GOSISDBHSA-N 2 1 330.476 1.144 20 0 EDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000418487433 446562152 /nfs/dbraw/zinc/56/21/52/446562152.db2.gz ILFDECURVDRWAC-QSFKDOLUSA-N 2 1 338.496 1.038 20 0 EDADMP Cn1ncc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1C(F)(F)F ZINC000420386790 446563408 /nfs/dbraw/zinc/56/34/08/446563408.db2.gz ITXASFZJZOHCEU-OLZOCXBDSA-N 2 1 344.381 1.639 20 0 EDADMP Cn1ncc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1C(F)(F)F ZINC000420386790 446563412 /nfs/dbraw/zinc/56/34/12/446563412.db2.gz ITXASFZJZOHCEU-OLZOCXBDSA-N 2 1 344.381 1.639 20 0 EDADMP C[C@H](C[NH3+])NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000423536716 446565172 /nfs/dbraw/zinc/56/51/72/446565172.db2.gz IGPRVQAVZVZFAZ-MRVWCRGKSA-N 2 1 329.366 1.760 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCc2sccc2C1 ZINC000420346154 446519122 /nfs/dbraw/zinc/51/91/22/446519122.db2.gz XNVYKLDJXSUWRS-HUUCEWRRSA-N 2 1 333.501 1.954 20 0 EDADMP Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346205 446519167 /nfs/dbraw/zinc/51/91/67/446519167.db2.gz XPXHBKHFSKRFTJ-RTBURBONSA-N 2 1 329.488 1.975 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000423406961 446521178 /nfs/dbraw/zinc/52/11/78/446521178.db2.gz LFZSWCHYUCVQDB-CQSZACIVSA-N 2 1 336.484 1.257 20 0 EDADMP O=C1[C@@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Cl)c1 ZINC000420348184 446523547 /nfs/dbraw/zinc/52/35/47/446523547.db2.gz KAHHAQQXSRQSHK-IRXDYDNUSA-N 2 1 348.878 1.425 20 0 EDADMP O=C1[C@@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Cl)c1 ZINC000420348184 446523553 /nfs/dbraw/zinc/52/35/53/446523553.db2.gz KAHHAQQXSRQSHK-IRXDYDNUSA-N 2 1 348.878 1.425 20 0 EDADMP C[C@H]1CN(C(=O)N[C@H](C[NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418391572 446525825 /nfs/dbraw/zinc/52/58/25/446525825.db2.gz CCCBFGJTRKUPRU-CRAIPNDOSA-N 2 1 330.476 1.887 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418392331 446526303 /nfs/dbraw/zinc/52/63/03/446526303.db2.gz PYIMQRBQWLPHER-FUHWJXTLSA-N 2 1 347.507 1.933 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000418393045 446526372 /nfs/dbraw/zinc/52/63/72/446526372.db2.gz QPZGBKGJWQLJOS-MRXNPFEDSA-N 2 1 348.491 1.768 20 0 EDADMP CC(C)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420350142 446527498 /nfs/dbraw/zinc/52/74/98/446527498.db2.gz RNDOPFONDDTUCD-UYAOXDASSA-N 2 1 344.503 1.479 20 0 EDADMP CC(C)[C@@H](NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420350142 446527503 /nfs/dbraw/zinc/52/75/03/446527503.db2.gz RNDOPFONDDTUCD-UYAOXDASSA-N 2 1 344.503 1.479 20 0 EDADMP CC[C@@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000423432514 446534650 /nfs/dbraw/zinc/53/46/50/446534650.db2.gz ONCDKYCFCCCPAW-QZTJIDSGSA-N 2 1 345.487 1.911 20 0 EDADMP CC[C@@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000423432514 446534654 /nfs/dbraw/zinc/53/46/54/446534654.db2.gz ONCDKYCFCCCPAW-QZTJIDSGSA-N 2 1 345.487 1.911 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1CC(C)(C)O ZINC000418429812 446540002 /nfs/dbraw/zinc/54/00/02/446540002.db2.gz OFMJYUUXAPGPGC-GOEBONIOSA-N 2 1 334.464 1.173 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000418430880 446540441 /nfs/dbraw/zinc/54/04/41/446540441.db2.gz PLWIQIMBMXWJIB-OIISXLGYSA-N 2 1 334.464 1.173 20 0 EDADMP C[N@H+]1CC=C(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000375049534 446544321 /nfs/dbraw/zinc/54/43/21/446544321.db2.gz NKFAPKNRESUQGE-IRXDYDNUSA-N 2 1 336.480 1.191 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000375049534 446544326 /nfs/dbraw/zinc/54/43/26/446544326.db2.gz NKFAPKNRESUQGE-IRXDYDNUSA-N 2 1 336.480 1.191 20 0 EDADMP O=C(NCC[NH2+]C1CCCCCC1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000418448650 446546148 /nfs/dbraw/zinc/54/61/48/446546148.db2.gz RBNJUKHJRVBADV-QGZVFWFLSA-N 2 1 340.512 1.445 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCCOc3ccc(F)cc3)C2)nn1 ZINC000420369787 446548629 /nfs/dbraw/zinc/54/86/29/446548629.db2.gz CDAFQEITLYFTQJ-INIZCTEOSA-N 2 1 333.411 1.982 20 0 EDADMP COCCOC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000453254490 446552805 /nfs/dbraw/zinc/55/28/05/446552805.db2.gz AFLCBUDJLAIKIQ-BRWVUGGUSA-N 2 1 326.481 1.661 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420373923 446553410 /nfs/dbraw/zinc/55/34/10/446553410.db2.gz ZPIRXCDZVOCRHK-INIZCTEOSA-N 2 1 333.476 1.776 20 0 EDADMP CC[C@@H](CO)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371080689 446615982 /nfs/dbraw/zinc/61/59/82/446615982.db2.gz NFEQLFULLMMNKK-INIZCTEOSA-N 2 1 340.512 1.253 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000418506026 446569630 /nfs/dbraw/zinc/56/96/30/446569630.db2.gz HDMKPRADMUQSMH-UHFFFAOYSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420397841 446571780 /nfs/dbraw/zinc/57/17/80/446571780.db2.gz GKOUKXMGSHMOEY-FMKPAKJESA-N 2 1 332.448 1.318 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420397841 446571784 /nfs/dbraw/zinc/57/17/84/446571784.db2.gz GKOUKXMGSHMOEY-FMKPAKJESA-N 2 1 332.448 1.318 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418524297 446581417 /nfs/dbraw/zinc/58/14/17/446581417.db2.gz MZOIARKPISKXDZ-ROUUACIJSA-N 2 1 345.491 1.687 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)NCCN2CCc3ccccc32)C[C@H]1C[NH3+] ZINC000420409360 446582461 /nfs/dbraw/zinc/58/24/61/446582461.db2.gz QNBATFOYSFCXIG-NVXWUHKLSA-N 2 1 330.476 1.082 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCCN2CCc3ccccc32)C[C@H]1C[NH3+] ZINC000420409360 446582466 /nfs/dbraw/zinc/58/24/66/446582466.db2.gz QNBATFOYSFCXIG-NVXWUHKLSA-N 2 1 330.476 1.082 20 0 EDADMP COCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000420410130 446582593 /nfs/dbraw/zinc/58/25/93/446582593.db2.gz RBLFDXNENJHUGM-DOTOQJQBSA-N 2 1 349.475 1.245 20 0 EDADMP COCCOc1cccc(CNC(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000420410130 446582601 /nfs/dbraw/zinc/58/26/01/446582601.db2.gz RBLFDXNENJHUGM-DOTOQJQBSA-N 2 1 349.475 1.245 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000418563243 446595632 /nfs/dbraw/zinc/59/56/32/446595632.db2.gz SBXBGVQYOGEPEW-OAHLLOKOSA-N 2 1 328.501 1.504 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)C[C@H](C)O1 ZINC000434365942 446642870 /nfs/dbraw/zinc/64/28/70/446642870.db2.gz BFLYCCJJMQJBOH-QKPAOTATSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)C[C@H](C)O1 ZINC000434365942 446642878 /nfs/dbraw/zinc/64/28/78/446642878.db2.gz BFLYCCJJMQJBOH-QKPAOTATSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@H](C)O1 ZINC000434365942 446642887 /nfs/dbraw/zinc/64/28/87/446642887.db2.gz BFLYCCJJMQJBOH-QKPAOTATSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)C[C@H](C)O1 ZINC000434365942 446642891 /nfs/dbraw/zinc/64/28/91/446642891.db2.gz BFLYCCJJMQJBOH-QKPAOTATSA-N 2 1 326.485 1.220 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000418699879 446653366 /nfs/dbraw/zinc/65/33/66/446653366.db2.gz BGQXRVLYYXPXDJ-HNNXBMFYSA-N 2 1 340.418 1.805 20 0 EDADMP COCC[C@]1(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC[NH2+]C1 ZINC000423720715 446659538 /nfs/dbraw/zinc/65/95/38/446659538.db2.gz AVEWTIQEFZWMIB-MJQMVNBJSA-N 2 1 337.508 1.866 20 0 EDADMP CC[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000423638090 446620825 /nfs/dbraw/zinc/62/08/25/446620825.db2.gz DIDVPQUSFHXEMF-RTBURBONSA-N 2 1 344.503 1.403 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(CCCS(N)(=O)=O)CC1 ZINC000371097667 446626603 /nfs/dbraw/zinc/62/66/03/446626603.db2.gz CNMINGUFAASESW-KRWDZBQOSA-N 2 1 339.505 1.652 20 0 EDADMP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](CCCS(N)(=O)=O)CC1 ZINC000371097667 446626613 /nfs/dbraw/zinc/62/66/13/446626613.db2.gz CNMINGUFAASESW-KRWDZBQOSA-N 2 1 339.505 1.652 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](CCCS(N)(=O)=O)CC1 ZINC000371097667 446626620 /nfs/dbraw/zinc/62/66/20/446626620.db2.gz CNMINGUFAASESW-KRWDZBQOSA-N 2 1 339.505 1.652 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](CCCS(N)(=O)=O)CC1 ZINC000371097667 446626628 /nfs/dbraw/zinc/62/66/28/446626628.db2.gz CNMINGUFAASESW-KRWDZBQOSA-N 2 1 339.505 1.652 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](CCCS(N)(=O)=O)CC1 ZINC000371097667 446626632 /nfs/dbraw/zinc/62/66/32/446626632.db2.gz CNMINGUFAASESW-KRWDZBQOSA-N 2 1 339.505 1.652 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(CC(=O)N2CCNC2=O)CC1 ZINC000371102501 446629518 /nfs/dbraw/zinc/62/95/18/446629518.db2.gz ZWAIETPLSMMFIS-KRWDZBQOSA-N 2 1 344.459 1.525 20 0 EDADMP [NH3+][C@H](CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000371279828 446739399 /nfs/dbraw/zinc/73/93/99/446739399.db2.gz LJADFCHJAGQSFH-SQNIBIBYSA-N 2 1 331.460 1.836 20 0 EDADMP CN(C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376776433 446712162 /nfs/dbraw/zinc/71/21/62/446712162.db2.gz HWPMMDQQVMFTLU-NFFSZXGFSA-N 2 1 336.480 1.116 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@]2([NH+](C)C)CCOc3ccccc32)CC1 ZINC000376790149 446720344 /nfs/dbraw/zinc/72/03/44/446720344.db2.gz VRKLTTHTWSSRCF-KUHUBIRLSA-N 2 1 331.460 1.812 20 0 EDADMP CCOC(=O)CCCC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371261262 446721971 /nfs/dbraw/zinc/72/19/71/446721971.db2.gz WJMRUAXTZGBVCN-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423861970 446734246 /nfs/dbraw/zinc/73/42/46/446734246.db2.gz DUCVGYIEOWVVSI-AHCXZYCDSA-N 2 1 331.460 1.390 20 0 EDADMP C[C@@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423861970 446734251 /nfs/dbraw/zinc/73/42/51/446734251.db2.gz DUCVGYIEOWVVSI-AHCXZYCDSA-N 2 1 331.460 1.390 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000423888845 446745450 /nfs/dbraw/zinc/74/54/50/446745450.db2.gz HMJKBBRVLZGKFC-IIDMSEBBSA-N 2 1 347.459 1.418 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000423888845 446745457 /nfs/dbraw/zinc/74/54/57/446745457.db2.gz HMJKBBRVLZGKFC-IIDMSEBBSA-N 2 1 347.459 1.418 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C[C@@H]1C ZINC000423900061 446751689 /nfs/dbraw/zinc/75/16/89/446751689.db2.gz RFHPUQRDJDFUKP-ARFHVFGLSA-N 2 1 339.480 1.380 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C[C@@H]1C ZINC000423900061 446751691 /nfs/dbraw/zinc/75/16/91/446751691.db2.gz RFHPUQRDJDFUKP-ARFHVFGLSA-N 2 1 339.480 1.380 20 0 EDADMP COCC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000423902308 446753772 /nfs/dbraw/zinc/75/37/72/446753772.db2.gz LQHHTHQDIFYIHF-NVXWUHKLSA-N 2 1 335.492 1.478 20 0 EDADMP C[NH+](C[C@@H]1CC12CCN(C(=O)NCC[N@H+](C)C1CC1)CC2)C1CC1 ZINC000371311864 446765648 /nfs/dbraw/zinc/76/56/48/446765648.db2.gz ACIGALSVRCBHJP-HNNXBMFYSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](CCNC(=O)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1)C1CC1 ZINC000371311864 446765651 /nfs/dbraw/zinc/76/56/51/446765651.db2.gz ACIGALSVRCBHJP-HNNXBMFYSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](CCNC(=O)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1)C1CC1 ZINC000371311864 446765656 /nfs/dbraw/zinc/76/56/56/446765656.db2.gz ACIGALSVRCBHJP-HNNXBMFYSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@@H](NC(=O)[C@@]1([NH+](C)C)CCOc2ccccc21)C1=CC[N@H+](C)CC1 ZINC000376875240 446769682 /nfs/dbraw/zinc/76/96/82/446769682.db2.gz JGDMCWILMIYFBR-FOIQADDNSA-N 2 1 343.471 1.993 20 0 EDADMP C[C@@H](NC(=O)[C@@]1([NH+](C)C)CCOc2ccccc21)C1=CC[N@@H+](C)CC1 ZINC000376875240 446769687 /nfs/dbraw/zinc/76/96/87/446769687.db2.gz JGDMCWILMIYFBR-FOIQADDNSA-N 2 1 343.471 1.993 20 0 EDADMP C[C@H](C[NH+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412038268 446800278 /nfs/dbraw/zinc/80/02/78/446800278.db2.gz HEYHCSVRIVEMQS-OWLVHUDESA-N 2 1 336.520 1.808 20 0 EDADMP C[C@@H](C[NH+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000412038268 446800282 /nfs/dbraw/zinc/80/02/82/446800282.db2.gz HEYHCSVRIVEMQS-OWLVHUDESA-N 2 1 336.520 1.808 20 0 EDADMP C[C@@H](C[NH+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000412038268 446800283 /nfs/dbraw/zinc/80/02/83/446800283.db2.gz HEYHCSVRIVEMQS-OWLVHUDESA-N 2 1 336.520 1.808 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCCCC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000454225597 446814692 /nfs/dbraw/zinc/81/46/92/446814692.db2.gz IXRZTNPFAPMZJN-QGZVFWFLSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000454225597 446814697 /nfs/dbraw/zinc/81/46/97/446814697.db2.gz IXRZTNPFAPMZJN-QGZVFWFLSA-N 2 1 340.512 1.517 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)c1ccccc1 ZINC000412051090 446814793 /nfs/dbraw/zinc/81/47/93/446814793.db2.gz VOYZNKAHEMEDRS-ZSYWTGECSA-N 2 1 345.487 1.498 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418988042 446850176 /nfs/dbraw/zinc/85/01/76/446850176.db2.gz RCYJBJBSDIDEFI-HNNXBMFYSA-N 2 1 338.496 1.002 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CCCO1 ZINC000424019264 446827135 /nfs/dbraw/zinc/82/71/35/446827135.db2.gz JTOVBORSYKIYKT-QZTJIDSGSA-N 2 1 349.450 1.756 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CCCO1 ZINC000424019264 446827142 /nfs/dbraw/zinc/82/71/42/446827142.db2.gz JTOVBORSYKIYKT-QZTJIDSGSA-N 2 1 349.450 1.756 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000424019573 446827534 /nfs/dbraw/zinc/82/75/34/446827534.db2.gz KIJJREYNWYCQJJ-MSOLQXFVSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419029291 446875606 /nfs/dbraw/zinc/87/56/06/446875606.db2.gz RLUFQZLSAOMTHE-LSDHHAIUSA-N 2 1 338.496 1.001 20 0 EDADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000424462015 446878794 /nfs/dbraw/zinc/87/87/94/446878794.db2.gz LXMIUTKTCYTXGD-RCCFBDPRSA-N 2 1 346.475 1.322 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000454532728 446903960 /nfs/dbraw/zinc/90/39/60/446903960.db2.gz YYDVUVZVIBBRNG-JYJNAYRXSA-N 2 1 328.501 1.373 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000419084095 446913916 /nfs/dbraw/zinc/91/39/16/446913916.db2.gz XZKWSYKMHSMWLZ-OAGGEKHMSA-N 2 1 338.496 1.095 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NCCCC[N@H+](C)C2CC2)CCSC1 ZINC000454596595 446919469 /nfs/dbraw/zinc/91/94/69/446919469.db2.gz FWMRZICJOXSXBE-MRXNPFEDSA-N 2 1 328.526 1.597 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000442758447 446953275 /nfs/dbraw/zinc/95/32/75/446953275.db2.gz IPFCZJUHWSIQOD-HZSPNIEDSA-N 2 1 335.448 1.550 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000442758447 446953284 /nfs/dbraw/zinc/95/32/84/446953284.db2.gz IPFCZJUHWSIQOD-HZSPNIEDSA-N 2 1 335.448 1.550 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442757329 446953728 /nfs/dbraw/zinc/95/37/28/446953728.db2.gz GDJXCOCXXOJDOF-ZBFHGGJFSA-N 2 1 349.475 1.721 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442757329 446953733 /nfs/dbraw/zinc/95/37/33/446953733.db2.gz GDJXCOCXXOJDOF-ZBFHGGJFSA-N 2 1 349.475 1.721 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC000420983379 446957892 /nfs/dbraw/zinc/95/78/92/446957892.db2.gz QXCRWHVFLLMVTR-OAHLLOKOSA-N 2 1 337.430 1.792 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000442766986 446958949 /nfs/dbraw/zinc/95/89/49/446958949.db2.gz XSXAVEIQARQXOT-HZPDHXFCSA-N 2 1 348.466 1.534 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)c1cnn(C)c1 ZINC000368594909 446968263 /nfs/dbraw/zinc/96/82/63/446968263.db2.gz UYAOALMERHEHKN-WBVHZDCISA-N 2 1 333.480 1.594 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1)c1cnn(C)c1 ZINC000368594909 446968266 /nfs/dbraw/zinc/96/82/66/446968266.db2.gz UYAOALMERHEHKN-WBVHZDCISA-N 2 1 333.480 1.594 20 0 EDADMP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000419215360 447013805 /nfs/dbraw/zinc/01/38/05/447013805.db2.gz OHOJTLBPUJNFIP-HUUCEWRRSA-N 2 1 346.475 1.141 20 0 EDADMP C[C@@H](CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC[NH2+]CC1 ZINC000377199731 446987226 /nfs/dbraw/zinc/98/72/26/446987226.db2.gz VWZMNLXJTDPNSG-RDJZCZTQSA-N 2 1 336.524 1.297 20 0 EDADMP C[C@@H](CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC[NH2+]CC1 ZINC000377199731 446987229 /nfs/dbraw/zinc/98/72/29/446987229.db2.gz VWZMNLXJTDPNSG-RDJZCZTQSA-N 2 1 336.524 1.297 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](CCO)CC1)c1ccccc1 ZINC000421019707 446989820 /nfs/dbraw/zinc/98/98/20/446989820.db2.gz QDRBLHXPFBDJJM-HKUYNNGSSA-N 2 1 347.503 1.890 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000443060232 447002501 /nfs/dbraw/zinc/00/25/01/447002501.db2.gz OSMKRNIPVUUIAF-CQSZACIVSA-N 2 1 347.488 1.992 20 0 EDADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000377304001 447052647 /nfs/dbraw/zinc/05/26/47/447052647.db2.gz LUQJYDOLVJZYHM-ZBFHGGJFSA-N 2 1 331.464 1.988 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000372263973 447031058 /nfs/dbraw/zinc/03/10/58/447031058.db2.gz DGSKAYPQFCFMGM-UHFFFAOYSA-N 3 1 339.528 1.140 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCN(c3ccccc3F)CC2)CC1 ZINC000375862143 447107398 /nfs/dbraw/zinc/10/73/98/447107398.db2.gz QUABFBORABHUFF-UHFFFAOYSA-N 2 1 348.466 1.502 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCN(c3ccccc3F)CC2)CC1 ZINC000375862143 447107404 /nfs/dbraw/zinc/10/74/04/447107404.db2.gz QUABFBORABHUFF-UHFFFAOYSA-N 2 1 348.466 1.502 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444167201 447085866 /nfs/dbraw/zinc/08/58/66/447085866.db2.gz DKYKNYHXACKULO-BJLQDIEVSA-N 2 1 327.472 1.667 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444174459 447088116 /nfs/dbraw/zinc/08/81/16/447088116.db2.gz XBQVMMFUTUVNBH-IEBWSBKVSA-N 2 1 329.444 1.135 20 0 EDADMP CC(C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000377374714 447097907 /nfs/dbraw/zinc/09/79/07/447097907.db2.gz ZBQXMEAUSJTLCP-CGTJXYLNSA-N 2 1 349.523 1.848 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCc3ccccc3)C2)CC1 ZINC000375908890 447141998 /nfs/dbraw/zinc/14/19/98/447141998.db2.gz ZQPYZLDYHBKSGI-LJQANCHMSA-N 2 1 344.503 1.403 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCc3ccccc3)C2)CC1 ZINC000375908890 447142003 /nfs/dbraw/zinc/14/20/03/447142003.db2.gz ZQPYZLDYHBKSGI-LJQANCHMSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419403720 447153504 /nfs/dbraw/zinc/15/35/04/447153504.db2.gz QLYGAVAONWVCNT-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccnn2CC[NH+](C)C)C[C@@H]1C ZINC000455656707 447199324 /nfs/dbraw/zinc/19/93/24/447199324.db2.gz KXVAZTAFJIBOCO-GJZGRUSLSA-N 2 1 336.484 1.781 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C ZINC000419428618 447169026 /nfs/dbraw/zinc/16/90/26/447169026.db2.gz ATLVZKVXXGCGPO-LTIDMASMSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419428618 447169033 /nfs/dbraw/zinc/16/90/33/447169033.db2.gz ATLVZKVXXGCGPO-LTIDMASMSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419428618 447169044 /nfs/dbraw/zinc/16/90/44/447169044.db2.gz ATLVZKVXXGCGPO-LTIDMASMSA-N 2 1 340.512 1.203 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000425653499 447254150 /nfs/dbraw/zinc/25/41/50/447254150.db2.gz OADCIYNEKXNVGM-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](CCNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)[NH+]1CCCCC1 ZINC000419484634 447215240 /nfs/dbraw/zinc/21/52/40/447215240.db2.gz XFRGJCSZRGYVHU-BRWVUGGUSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419501398 447228485 /nfs/dbraw/zinc/22/84/85/447228485.db2.gz BGSOCEPDGBJSQZ-KGLIPLIRSA-N 2 1 334.464 1.169 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000376042030 447230860 /nfs/dbraw/zinc/23/08/60/447230860.db2.gz JNIOBXLVHPKRCY-UYAOXDASSA-N 2 1 345.487 1.865 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000425560273 447231169 /nfs/dbraw/zinc/23/11/69/447231169.db2.gz JGBVVHFRBRSULJ-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000425560273 447231171 /nfs/dbraw/zinc/23/11/71/447231171.db2.gz JGBVVHFRBRSULJ-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000425560273 447231175 /nfs/dbraw/zinc/23/11/75/447231175.db2.gz JGBVVHFRBRSULJ-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP COC1([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCCCC1 ZINC000421826674 447261372 /nfs/dbraw/zinc/26/13/72/447261372.db2.gz UHYHNTFOSNDNSV-HZPDHXFCSA-N 2 1 325.497 1.901 20 0 EDADMP CCOC(=O)C[C@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383156567 447466503 /nfs/dbraw/zinc/46/65/03/447466503.db2.gz NAHYQDKBVPVSJG-ROUUACIJSA-N 2 1 334.460 1.754 20 0 EDADMP CCOC(=O)C[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383156567 447466508 /nfs/dbraw/zinc/46/65/08/447466508.db2.gz NAHYQDKBVPVSJG-ROUUACIJSA-N 2 1 334.460 1.754 20 0 EDADMP CCOC(=O)C[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383156567 447466514 /nfs/dbraw/zinc/46/65/14/447466514.db2.gz NAHYQDKBVPVSJG-ROUUACIJSA-N 2 1 334.460 1.754 20 0 EDADMP CCOC(=O)C[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383156567 447466520 /nfs/dbraw/zinc/46/65/20/447466520.db2.gz NAHYQDKBVPVSJG-ROUUACIJSA-N 2 1 334.460 1.754 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000457121775 447525778 /nfs/dbraw/zinc/52/57/78/447525778.db2.gz MDKVMJATNVHQSS-HNNXBMFYSA-N 2 1 340.427 1.386 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000457121775 447525781 /nfs/dbraw/zinc/52/57/81/447525781.db2.gz MDKVMJATNVHQSS-HNNXBMFYSA-N 2 1 340.427 1.386 20 0 EDADMP CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[N@H+]1C[C@H](C)O ZINC000426772210 447500072 /nfs/dbraw/zinc/50/00/72/447500072.db2.gz CHGQMANNRPFTJG-DLBZAZTESA-N 2 1 339.524 1.802 20 0 EDADMP CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390851626 447503001 /nfs/dbraw/zinc/50/30/01/447503001.db2.gz DRNMGAHHPAVNRC-ROUUACIJSA-N 2 1 333.476 1.911 20 0 EDADMP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000391038720 447510278 /nfs/dbraw/zinc/51/02/78/447510278.db2.gz ZTLGSFUESDTYHW-CABCVRRESA-N 2 1 341.402 1.376 20 0 EDADMP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]C1 ZINC000398192908 447556333 /nfs/dbraw/zinc/55/63/33/447556333.db2.gz ZYOPEHHUYDJMGL-HQRMLTQVSA-N 2 1 345.487 1.639 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000457575630 447601677 /nfs/dbraw/zinc/60/16/77/447601677.db2.gz LBSGWUACOIOCGF-QGZVFWFLSA-N 2 1 340.512 1.253 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)OC)c1 ZINC000496063389 447700052 /nfs/dbraw/zinc/70/00/52/447700052.db2.gz HGQKDDGVZKPPLN-OAHLLOKOSA-N 2 1 333.436 1.963 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000416916736 447709429 /nfs/dbraw/zinc/70/94/29/447709429.db2.gz IHHYCQIEIKQXPY-KFWWJZLASA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NCC[C@H]2CCC[NH2+]C2)n1 ZINC000420198629 447666629 /nfs/dbraw/zinc/66/66/29/447666629.db2.gz LZTGLEOFVREUPL-NUJGCVRESA-N 2 1 347.507 1.738 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)C[NH+]1CCCCC1 ZINC000457903869 447667121 /nfs/dbraw/zinc/66/71/21/447667121.db2.gz GAMGHLYOPULICM-DLBZAZTESA-N 2 1 340.512 1.254 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)[C@H]1Sc1ccccc1 ZINC000459470833 447678704 /nfs/dbraw/zinc/67/87/04/447678704.db2.gz AQZWOEXSWVCLQZ-BSDSXHPESA-N 2 1 336.501 1.981 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)[C@H]1Sc1ccccc1 ZINC000459470833 447678711 /nfs/dbraw/zinc/67/87/11/447678711.db2.gz AQZWOEXSWVCLQZ-BSDSXHPESA-N 2 1 336.501 1.981 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000422642556 447686453 /nfs/dbraw/zinc/68/64/53/447686453.db2.gz ZOWCGYBOIPJNRZ-MGPQQGTHSA-N 2 1 339.430 1.929 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000422642556 447686457 /nfs/dbraw/zinc/68/64/57/447686457.db2.gz ZOWCGYBOIPJNRZ-MGPQQGTHSA-N 2 1 339.430 1.929 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000416935875 447715175 /nfs/dbraw/zinc/71/51/75/447715175.db2.gz HCZPGRQVXGOAOE-IAGOWNOFSA-N 2 1 340.512 1.550 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000416937479 447716290 /nfs/dbraw/zinc/71/62/90/447716290.db2.gz JJKCWOPDUAOHEF-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416949655 447721910 /nfs/dbraw/zinc/72/19/10/447721910.db2.gz QOUBHPCWEBTBGS-XHSDSOJGSA-N 2 1 326.485 1.127 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000416947562 447722051 /nfs/dbraw/zinc/72/20/51/447722051.db2.gz YGQVIXOQZRUACY-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416947438 447722790 /nfs/dbraw/zinc/72/27/90/447722790.db2.gz YBURIJADBFYSDE-BZUAXINKSA-N 2 1 326.485 1.112 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000416950748 447724080 /nfs/dbraw/zinc/72/40/80/447724080.db2.gz IAFUJADKCNQRAG-BMFZPTHFSA-N 2 1 326.485 1.112 20 0 EDADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422720331 447728089 /nfs/dbraw/zinc/72/80/89/447728089.db2.gz SIJWZNWUHSLHAK-IAGOWNOFSA-N 2 1 332.496 1.096 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496178491 447733944 /nfs/dbraw/zinc/73/39/44/447733944.db2.gz ZWIQPJRMNTYGIH-ZBFHGGJFSA-N 2 1 341.496 1.678 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496178491 447733947 /nfs/dbraw/zinc/73/39/47/447733947.db2.gz ZWIQPJRMNTYGIH-ZBFHGGJFSA-N 2 1 341.496 1.678 20 0 EDADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000422743111 447736494 /nfs/dbraw/zinc/73/64/94/447736494.db2.gz QYCLFNKXEKLHIA-HNNXBMFYSA-N 3 1 333.524 1.773 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCCN3CCOC(C)(C)C3)C2)C1 ZINC000458177897 447737495 /nfs/dbraw/zinc/73/74/95/447737495.db2.gz MYHKETGDMMOXOK-GOSISDBHSA-N 2 1 338.496 1.225 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417266389 447739511 /nfs/dbraw/zinc/73/95/11/447739511.db2.gz DRGAKJFRJRFPQK-HZPDHXFCSA-N 2 1 348.491 1.562 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417266389 447739515 /nfs/dbraw/zinc/73/95/15/447739515.db2.gz DRGAKJFRJRFPQK-HZPDHXFCSA-N 2 1 348.491 1.562 20 0 EDADMP C[C@H]1CN(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C[C@@H]1[NH3+] ZINC000417272362 447740100 /nfs/dbraw/zinc/74/01/00/447740100.db2.gz UEOZAYROFHCIHS-DAYGRLMNSA-N 2 1 346.475 1.396 20 0 EDADMP C[C@H]1CN(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C[C@@H]1[NH3+] ZINC000417272362 447740102 /nfs/dbraw/zinc/74/01/02/447740102.db2.gz UEOZAYROFHCIHS-DAYGRLMNSA-N 2 1 346.475 1.396 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000458292808 447762529 /nfs/dbraw/zinc/76/25/29/447762529.db2.gz NPMLLOZTJMEJDS-MRXNPFEDSA-N 2 1 328.501 1.207 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000458292808 447762532 /nfs/dbraw/zinc/76/25/32/447762532.db2.gz NPMLLOZTJMEJDS-MRXNPFEDSA-N 2 1 328.501 1.207 20 0 EDADMP CN(C[C@@](C)(O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496535930 447811701 /nfs/dbraw/zinc/81/17/01/447811701.db2.gz UEODFDANHAKHJT-MSOLQXFVSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@@](C)(O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496535930 447811704 /nfs/dbraw/zinc/81/17/04/447811704.db2.gz UEODFDANHAKHJT-MSOLQXFVSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@@](C)(O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496535930 447811706 /nfs/dbraw/zinc/81/17/06/447811706.db2.gz UEODFDANHAKHJT-MSOLQXFVSA-N 2 1 341.496 1.632 20 0 EDADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458335346 447771056 /nfs/dbraw/zinc/77/10/56/447771056.db2.gz DKQUGDNNVYQWFC-BBWFWOEESA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458335346 447771060 /nfs/dbraw/zinc/77/10/60/447771060.db2.gz DKQUGDNNVYQWFC-BBWFWOEESA-N 2 1 340.512 1.395 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000422931754 447774873 /nfs/dbraw/zinc/77/48/73/447774873.db2.gz CSZGVRNCULDPMU-QWHCGFSZSA-N 2 1 345.534 1.866 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@]2(CCOC2)C1)c1ccccc1 ZINC000451908027 447779895 /nfs/dbraw/zinc/77/98/95/447779895.db2.gz ISXVZIBSYQEJDK-UYAOXDASSA-N 2 1 345.487 1.908 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]C2CCN(C(C)C)CC2)CC[NH2+]CC1 ZINC000422999687 447789317 /nfs/dbraw/zinc/78/93/17/447789317.db2.gz YFZHCGLLZMWPHV-HNNXBMFYSA-N 2 1 325.497 1.770 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)c1c[nH+]ccc1N ZINC000423105450 447805688 /nfs/dbraw/zinc/80/56/88/447805688.db2.gz NIYMZKGJMCJVBY-SUNYJGFJSA-N 2 1 328.464 1.961 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]C2CC(N3CCCCC3)C2)CC[NH2+]CC1 ZINC000423106254 447806142 /nfs/dbraw/zinc/80/61/42/447806142.db2.gz ZNCSLXTZPNZJAJ-KLAILNCOSA-N 2 1 337.508 1.914 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000479648921 447823915 /nfs/dbraw/zinc/82/39/15/447823915.db2.gz QTWMKBWEBHPWSV-SJORKVTESA-N 2 1 340.512 1.349 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000479648921 447823917 /nfs/dbraw/zinc/82/39/17/447823917.db2.gz QTWMKBWEBHPWSV-SJORKVTESA-N 2 1 340.512 1.349 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)OCC(C)C ZINC000523094193 447872443 /nfs/dbraw/zinc/87/24/43/447872443.db2.gz UDBFTBAWOBJCQT-DLBZAZTESA-N 2 1 327.513 1.922 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[NH+](C(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000523332981 447878821 /nfs/dbraw/zinc/87/88/21/447878821.db2.gz XECWZXRJTAUKNK-MHORFTMASA-N 2 1 339.524 1.967 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[NH+](C(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000523332981 447878826 /nfs/dbraw/zinc/87/88/26/447878826.db2.gz XECWZXRJTAUKNK-MHORFTMASA-N 2 1 339.524 1.967 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000523332981 447878831 /nfs/dbraw/zinc/87/88/31/447878831.db2.gz XECWZXRJTAUKNK-MHORFTMASA-N 2 1 339.524 1.967 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000523332981 447878836 /nfs/dbraw/zinc/87/88/36/447878836.db2.gz XECWZXRJTAUKNK-MHORFTMASA-N 2 1 339.524 1.967 20 0 EDADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569823134 447900788 /nfs/dbraw/zinc/90/07/88/447900788.db2.gz GHAICXAEUVLJMY-GOSISDBHSA-N 2 1 345.487 1.472 20 0 EDADMP Cc1cc(NC(=O)NCCn2cc[nH+]c2C)n(C2CC[NH+](C)CC2)n1 ZINC000530711128 447944094 /nfs/dbraw/zinc/94/40/94/447944094.db2.gz COLQSGPDNFUBPV-UHFFFAOYSA-N 2 1 345.451 1.785 20 0 EDADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000530727946 447947045 /nfs/dbraw/zinc/94/70/45/447947045.db2.gz YHOSYMBCGYWMSU-INIZCTEOSA-N 2 1 328.460 1.959 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000524264271 447921733 /nfs/dbraw/zinc/92/17/33/447921733.db2.gz VJAYDMOROSUOGQ-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000524264271 447921741 /nfs/dbraw/zinc/92/17/41/447921741.db2.gz VJAYDMOROSUOGQ-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[NH+]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530816353 447963532 /nfs/dbraw/zinc/96/35/32/447963532.db2.gz MCJNHNHUNKNVTP-IBGZPJMESA-N 2 1 331.460 1.178 20 0 EDADMP CCC[NH+]1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530816353 447963536 /nfs/dbraw/zinc/96/35/36/447963536.db2.gz MCJNHNHUNKNVTP-IBGZPJMESA-N 2 1 331.460 1.178 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496812494 447933262 /nfs/dbraw/zinc/93/32/62/447933262.db2.gz DSTAKQCDOVSBFB-HNNXBMFYSA-N 2 1 329.485 1.630 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496812494 447933264 /nfs/dbraw/zinc/93/32/64/447933264.db2.gz DSTAKQCDOVSBFB-HNNXBMFYSA-N 2 1 329.485 1.630 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496812494 447933267 /nfs/dbraw/zinc/93/32/67/447933267.db2.gz DSTAKQCDOVSBFB-HNNXBMFYSA-N 2 1 329.485 1.630 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496812494 447933270 /nfs/dbraw/zinc/93/32/70/447933270.db2.gz DSTAKQCDOVSBFB-HNNXBMFYSA-N 2 1 329.485 1.630 20 0 EDADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000576196042 447996173 /nfs/dbraw/zinc/99/61/73/447996173.db2.gz LWAWITWRJXRKKE-OTWHNJEPSA-N 2 1 349.519 1.745 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000525477600 448001362 /nfs/dbraw/zinc/00/13/62/448001362.db2.gz YOBDIWOWPSKMEY-MOPGFXCFSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000525477600 448001366 /nfs/dbraw/zinc/00/13/66/448001366.db2.gz YOBDIWOWPSKMEY-MOPGFXCFSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000525477600 448001368 /nfs/dbraw/zinc/00/13/68/448001368.db2.gz YOBDIWOWPSKMEY-MOPGFXCFSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000525477600 448001373 /nfs/dbraw/zinc/00/13/73/448001373.db2.gz YOBDIWOWPSKMEY-MOPGFXCFSA-N 2 1 345.487 1.734 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc2c(c1)OCO2 ZINC000576220274 448002332 /nfs/dbraw/zinc/00/23/32/448002332.db2.gz KRBLISKZMHDDAN-ZFWWWQNUSA-N 2 1 334.416 1.229 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)CC2(C[NH3+])CC2)C1 ZINC000570399972 448004514 /nfs/dbraw/zinc/00/45/14/448004514.db2.gz VPKDODJFIJTZID-HNNXBMFYSA-N 2 1 344.459 1.451 20 0 EDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOCCNC(=O)OC(C)(C)C)CCN1C ZINC000497216973 447970161 /nfs/dbraw/zinc/97/01/61/447970161.db2.gz YHIHZENSBCKRBR-CABCVRRESA-N 2 1 329.485 1.942 20 0 EDADMP C[C@@H]1C[C@@H]([NH+](C)CCOCCNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000497216973 447970163 /nfs/dbraw/zinc/97/01/63/447970163.db2.gz YHIHZENSBCKRBR-CABCVRRESA-N 2 1 329.485 1.942 20 0 EDADMP C[C@@H]1C[C@@H]([NH+](C)CCOCCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497216973 447970169 /nfs/dbraw/zinc/97/01/69/447970169.db2.gz YHIHZENSBCKRBR-CABCVRRESA-N 2 1 329.485 1.942 20 0 EDADMP CC[C@@H](C)NC(=O)c1cccc(CNC[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000576321657 448026042 /nfs/dbraw/zinc/02/60/42/448026042.db2.gz RRKDOFVAHOYDOR-RDTXWAMCSA-N 2 1 333.476 1.760 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496909260 448026328 /nfs/dbraw/zinc/02/63/28/448026328.db2.gz HGKJECKJNLJODZ-ZBFHGGJFSA-N 2 1 341.496 1.678 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496909260 448026332 /nfs/dbraw/zinc/02/63/32/448026332.db2.gz HGKJECKJNLJODZ-ZBFHGGJFSA-N 2 1 341.496 1.678 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531300913 448057698 /nfs/dbraw/zinc/05/76/98/448057698.db2.gz FVPYYJZVJNBMDA-VQIMIIECSA-N 2 1 331.460 1.176 20 0 EDADMP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531300913 448057700 /nfs/dbraw/zinc/05/77/00/448057700.db2.gz FVPYYJZVJNBMDA-VQIMIIECSA-N 2 1 331.460 1.176 20 0 EDADMP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531300913 448057703 /nfs/dbraw/zinc/05/77/03/448057703.db2.gz FVPYYJZVJNBMDA-VQIMIIECSA-N 2 1 331.460 1.176 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000497304455 448058784 /nfs/dbraw/zinc/05/87/84/448058784.db2.gz GNRNRINJQGFNAO-QFBILLFUSA-N 2 1 347.459 1.696 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000497304455 448058786 /nfs/dbraw/zinc/05/87/86/448058786.db2.gz GNRNRINJQGFNAO-QFBILLFUSA-N 2 1 347.459 1.696 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CNCC(C)(C)[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000576457273 448059909 /nfs/dbraw/zinc/05/99/09/448059909.db2.gz CRQHKDHOBKTMPN-BRWVUGGUSA-N 2 1 327.513 1.311 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)n1C ZINC000531439215 448083580 /nfs/dbraw/zinc/08/35/80/448083580.db2.gz OIKWNWFKIHRVHW-ZDUSSCGKSA-N 2 1 334.468 1.302 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)n1C ZINC000531439215 448083584 /nfs/dbraw/zinc/08/35/84/448083584.db2.gz OIKWNWFKIHRVHW-ZDUSSCGKSA-N 2 1 334.468 1.302 20 0 EDADMP CC[N@@H+]1CC[C@@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)[C@@H](C)C1 ZINC000555788471 448090164 /nfs/dbraw/zinc/09/01/64/448090164.db2.gz JQNGIQKTBPETPO-KBXCAEBGSA-N 2 1 330.476 1.672 20 0 EDADMP CC[N@H+]1CC[C@@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)[C@@H](C)C1 ZINC000555788471 448090169 /nfs/dbraw/zinc/09/01/69/448090169.db2.gz JQNGIQKTBPETPO-KBXCAEBGSA-N 2 1 330.476 1.672 20 0 EDADMP CC[NH+]1CC[C@@H](Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)[C@@H](C)C1 ZINC000555788471 448090174 /nfs/dbraw/zinc/09/01/74/448090174.db2.gz JQNGIQKTBPETPO-KBXCAEBGSA-N 2 1 330.476 1.672 20 0 EDADMP CC[NH+]1CC[C@@H](Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)[C@@H](C)C1 ZINC000555788471 448090177 /nfs/dbraw/zinc/09/01/77/448090177.db2.gz JQNGIQKTBPETPO-KBXCAEBGSA-N 2 1 330.476 1.672 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[NH+](C)C1 ZINC000501266234 448093675 /nfs/dbraw/zinc/09/36/75/448093675.db2.gz LMNYFTRBWKNZPD-XIRDDKMYSA-N 2 1 338.496 1.364 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[N@H+](C)C1 ZINC000501266234 448093680 /nfs/dbraw/zinc/09/36/80/448093680.db2.gz LMNYFTRBWKNZPD-XIRDDKMYSA-N 2 1 338.496 1.364 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[N@@H+](C)C1 ZINC000501266234 448093685 /nfs/dbraw/zinc/09/36/85/448093685.db2.gz LMNYFTRBWKNZPD-XIRDDKMYSA-N 2 1 338.496 1.364 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[NH+](C)C1 ZINC000502643433 448103306 /nfs/dbraw/zinc/10/33/06/448103306.db2.gz UGHDUEYHSROQJY-ULQDDVLXSA-N 2 1 338.496 1.364 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[N@H+](C)C1 ZINC000502643433 448103316 /nfs/dbraw/zinc/10/33/16/448103316.db2.gz UGHDUEYHSROQJY-ULQDDVLXSA-N 2 1 338.496 1.364 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[N@@H+](C)C1 ZINC000502643433 448103323 /nfs/dbraw/zinc/10/33/23/448103323.db2.gz UGHDUEYHSROQJY-ULQDDVLXSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@]1(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000576687442 448113986 /nfs/dbraw/zinc/11/39/86/448113986.db2.gz BJPWKVAEYRCMQP-BQFCYCMXSA-N 2 1 338.496 1.319 20 0 EDADMP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[N@@H+](C)C1CC1 ZINC000531770781 448141307 /nfs/dbraw/zinc/14/13/07/448141307.db2.gz FKPJQILJSMCHED-XYPHTWIQSA-N 2 1 338.496 1.146 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCN1CCc2sccc2C1 ZINC000556724975 448146035 /nfs/dbraw/zinc/14/60/35/448146035.db2.gz YWICRDGWWSROBF-OAHLLOKOSA-N 2 1 336.505 1.842 20 0 EDADMP CC[C@@H]1CN(C)CCN1C(=O)NCCN1CCc2sccc2C1 ZINC000556724975 448146040 /nfs/dbraw/zinc/14/60/40/448146040.db2.gz YWICRDGWWSROBF-OAHLLOKOSA-N 2 1 336.505 1.842 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000527058441 448149953 /nfs/dbraw/zinc/14/99/53/448149953.db2.gz LOIYFOROAILLAL-FQEVSTJZSA-N 2 1 347.503 1.814 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)CC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000527253812 448194631 /nfs/dbraw/zinc/19/46/31/448194631.db2.gz IPZBGPJWRNBTHC-JKSUJKDBSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC000527253812 448194636 /nfs/dbraw/zinc/19/46/36/448194636.db2.gz IPZBGPJWRNBTHC-JKSUJKDBSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC000527253812 448194639 /nfs/dbraw/zinc/19/46/39/448194639.db2.gz IPZBGPJWRNBTHC-JKSUJKDBSA-N 2 1 325.497 1.555 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000514776518 448200955 /nfs/dbraw/zinc/20/09/55/448200955.db2.gz RGMFLDNEZKOTLP-MSOLQXFVSA-N 2 1 349.450 1.675 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000514776518 448200958 /nfs/dbraw/zinc/20/09/58/448200958.db2.gz RGMFLDNEZKOTLP-MSOLQXFVSA-N 2 1 349.450 1.675 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000514925097 448226493 /nfs/dbraw/zinc/22/64/93/448226493.db2.gz GZRGFERTTCBDBG-UHFFFAOYSA-N 2 1 328.501 1.374 20 0 EDADMP CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000582415428 448230112 /nfs/dbraw/zinc/23/01/12/448230112.db2.gz UOGQPMMGDIPZFW-KRWDZBQOSA-N 2 1 335.448 1.459 20 0 EDADMP Cc1cc(C)c(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000571975718 448249210 /nfs/dbraw/zinc/24/92/10/448249210.db2.gz XODKAELWONYCEM-FQEVSTJZSA-N 2 1 339.439 1.952 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000577351797 448271401 /nfs/dbraw/zinc/27/14/01/448271401.db2.gz MKVJKAQNDYPBDP-UHFFFAOYSA-N 2 1 332.448 1.119 20 0 EDADMP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000532424793 448257082 /nfs/dbraw/zinc/25/70/82/448257082.db2.gz WIQXRPMTQVMECK-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000532424793 448257086 /nfs/dbraw/zinc/25/70/86/448257086.db2.gz WIQXRPMTQVMECK-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000532424791 448257342 /nfs/dbraw/zinc/25/73/42/448257342.db2.gz WIQXRPMTQVMECK-BRWVUGGUSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000532424791 448257346 /nfs/dbraw/zinc/25/73/46/448257346.db2.gz WIQXRPMTQVMECK-BRWVUGGUSA-N 2 1 338.496 1.271 20 0 EDADMP O=C(NCCC[NH+]1CCCC1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532438155 448260248 /nfs/dbraw/zinc/26/02/48/448260248.db2.gz MPLHIUQLFVAKRB-IRXDYDNUSA-N 2 1 338.496 1.415 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000591097651 448260547 /nfs/dbraw/zinc/26/05/47/448260547.db2.gz YUUOUXNUEQPOGB-HNNXBMFYSA-N 2 1 334.439 1.016 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000591097651 448260555 /nfs/dbraw/zinc/26/05/55/448260555.db2.gz YUUOUXNUEQPOGB-HNNXBMFYSA-N 2 1 334.439 1.016 20 0 EDADMP [NH3+][C@@H](CCC(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000515402727 448307738 /nfs/dbraw/zinc/30/77/38/448307738.db2.gz SUEROXDSLZGUFN-ACBHZAAOSA-N 2 1 344.503 1.799 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](CC2CC2)C(C)C)C1 ZINC000532667392 448292783 /nfs/dbraw/zinc/29/27/83/448292783.db2.gz BOGHINSNAMSJHV-KRWDZBQOSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](CC2CC2)C(C)C)C1 ZINC000532667392 448292788 /nfs/dbraw/zinc/29/27/88/448292788.db2.gz BOGHINSNAMSJHV-KRWDZBQOSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](CC2CC2)C(C)C)C1 ZINC000532667392 448292793 /nfs/dbraw/zinc/29/27/93/448292793.db2.gz BOGHINSNAMSJHV-KRWDZBQOSA-N 2 1 325.497 1.580 20 0 EDADMP COc1ccc2c(c1)OC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C2 ZINC000577469536 448303530 /nfs/dbraw/zinc/30/35/30/448303530.db2.gz NZMZWDOYWNAXQB-SJORKVTESA-N 2 1 334.460 1.681 20 0 EDADMP C[NH+](C)[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000582794955 448342947 /nfs/dbraw/zinc/34/29/47/448342947.db2.gz KBZDJYBSEMAYIO-HOCLYGCPSA-N 2 1 325.840 1.126 20 0 EDADMP C[NH+](C)[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000582794955 448342952 /nfs/dbraw/zinc/34/29/52/448342952.db2.gz KBZDJYBSEMAYIO-HOCLYGCPSA-N 2 1 325.840 1.126 20 0 EDADMP Cc1csc2nc(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)cc(=O)n12 ZINC000577634188 448347035 /nfs/dbraw/zinc/34/70/35/448347035.db2.gz DVKXDSZUOWMTKO-CYBMUJFWSA-N 2 1 348.472 1.252 20 0 EDADMP Cc1csc2nc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)cc(=O)n12 ZINC000577634188 448347039 /nfs/dbraw/zinc/34/70/39/448347039.db2.gz DVKXDSZUOWMTKO-CYBMUJFWSA-N 2 1 348.472 1.252 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)CCN(C)c2cc[nH+]cc2)C[C@H](C)O1 ZINC000582744083 448328174 /nfs/dbraw/zinc/32/81/74/448328174.db2.gz OCFRLVYRWKOHJB-IYBDPMFKSA-N 2 1 334.464 1.523 20 0 EDADMP O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000572489384 448393048 /nfs/dbraw/zinc/39/30/48/448393048.db2.gz QUEONMRFQCZMDJ-SFHVURJKSA-N 2 1 349.500 1.332 20 0 EDADMP CC[NH+]1CCC(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000583018101 448403933 /nfs/dbraw/zinc/40/39/33/448403933.db2.gz XRAGUBGBFFRPRK-OAHLLOKOSA-N 2 1 340.512 1.205 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000566179754 448405627 /nfs/dbraw/zinc/40/56/27/448405627.db2.gz XGVQIJHGRLIPDR-SZMVWBNQSA-N 2 1 333.476 1.810 20 0 EDADMP COc1ccccc1C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000566246379 448429415 /nfs/dbraw/zinc/42/94/15/448429415.db2.gz MQHLPUZEALSZDZ-SFHVURJKSA-N 2 1 333.476 1.581 20 0 EDADMP CCN(C)C[C@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000572732138 448451322 /nfs/dbraw/zinc/45/13/22/448451322.db2.gz UZIBTWIHQYPELF-IBGZPJMESA-N 2 1 334.508 1.933 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000572732138 448451326 /nfs/dbraw/zinc/45/13/26/448451326.db2.gz UZIBTWIHQYPELF-IBGZPJMESA-N 3 1 334.508 1.933 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000572732138 448451331 /nfs/dbraw/zinc/45/13/31/448451331.db2.gz UZIBTWIHQYPELF-IBGZPJMESA-N 3 1 334.508 1.933 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000572732138 448451334 /nfs/dbraw/zinc/45/13/34/448451334.db2.gz UZIBTWIHQYPELF-IBGZPJMESA-N 3 1 334.508 1.933 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000572732138 448451335 /nfs/dbraw/zinc/45/13/35/448451335.db2.gz UZIBTWIHQYPELF-IBGZPJMESA-N 3 1 334.508 1.933 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000516645253 448454305 /nfs/dbraw/zinc/45/43/05/448454305.db2.gz QOKYMYQQUWUFBP-PMACEKPBSA-N 2 1 333.520 1.972 20 0 EDADMP [NH3+]CC[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000572738251 448454381 /nfs/dbraw/zinc/45/43/81/448454381.db2.gz PXSFRZPMTNEOMR-YESZJQIVSA-N 2 1 338.496 1.400 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC[N@H+]1CCOC ZINC000572769389 448461171 /nfs/dbraw/zinc/46/11/71/448461171.db2.gz YWMNULXSRMPFNE-NUJGCVRESA-N 2 1 325.497 1.853 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H](C)[NH3+] ZINC000572957011 448505662 /nfs/dbraw/zinc/50/56/62/448505662.db2.gz WGTKTNDDCBSHRI-LPHOPBHVSA-N 2 1 346.519 1.670 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(CO)CC3)CC2)CC1 ZINC000573017622 448523587 /nfs/dbraw/zinc/52/35/87/448523587.db2.gz LCCRMHZWAGVEFS-UHFFFAOYSA-N 2 1 337.508 1.414 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](C)C(=O)OC)CC2)CC1 ZINC000566629828 448525689 /nfs/dbraw/zinc/52/56/89/448525689.db2.gz WRUWIBWOBQDRKA-CQSZACIVSA-N 2 1 339.480 1.108 20 0 EDADMP C[C@H](NC(=O)N1CCC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000578489417 448557897 /nfs/dbraw/zinc/55/78/97/448557897.db2.gz XYYQOUOYPBUQRR-FUHWJXTLSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@H](NC(=O)N1CCC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000578489417 448557899 /nfs/dbraw/zinc/55/78/99/448557899.db2.gz XYYQOUOYPBUQRR-FUHWJXTLSA-N 2 1 346.475 1.281 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H](C)C3C[NH2+]C3)cc2)CC1 ZINC000566853972 448572219 /nfs/dbraw/zinc/57/22/19/448572219.db2.gz LRZPUZLDNFPKKA-CQSZACIVSA-N 2 1 344.459 1.145 20 0 EDADMP CNC(=O)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Cc1ccc(F)cc1C ZINC000566855552 448572783 /nfs/dbraw/zinc/57/27/83/448572783.db2.gz SFLNCHGYAUNFGD-HFTRVMKXSA-N 2 1 335.467 1.969 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cc(C)nn1C ZINC000578433346 448543576 /nfs/dbraw/zinc/54/35/76/448543576.db2.gz YRSHDLXIXHEYHV-MRXNPFEDSA-N 2 1 335.496 1.146 20 0 EDADMP Cc1cc(=O)n2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)sc2n1 ZINC000517146965 448544232 /nfs/dbraw/zinc/54/42/32/448544232.db2.gz RDJSNRGXZWQUHY-QWHCGFSZSA-N 2 1 333.461 1.281 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000567147816 448624032 /nfs/dbraw/zinc/62/40/32/448624032.db2.gz DXIIZFZVRJXOMP-SZMVWBNQSA-N 2 1 330.476 1.682 20 0 EDADMP C[N@@H+](C[C@@H](O)CNc1cccc(C[NH+]2CCC(O)CC2)c1)C1CC1 ZINC000567262937 448652628 /nfs/dbraw/zinc/65/26/28/448652628.db2.gz HYOAXBPSYRSHHZ-IBGZPJMESA-N 2 1 333.476 1.510 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000578875524 448659869 /nfs/dbraw/zinc/65/98/69/448659869.db2.gz TXYMAKSWIYQSFM-SFHVURJKSA-N 2 1 338.448 1.083 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000578875524 448659875 /nfs/dbraw/zinc/65/98/75/448659875.db2.gz TXYMAKSWIYQSFM-SFHVURJKSA-N 2 1 338.448 1.083 20 0 EDADMP C[C@H]([NH2+][C@@H]1COCC1(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567456204 448696247 /nfs/dbraw/zinc/69/62/47/448696247.db2.gz ZSAQFZONYNFRCD-RYQLBKOJSA-N 2 1 345.487 1.780 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CCc2nc(-c3ccccc3)no2)CC12CCOCC2 ZINC000567502347 448704454 /nfs/dbraw/zinc/70/44/54/448704454.db2.gz ICVUBNABMSWKDZ-INIZCTEOSA-N 2 1 342.443 1.966 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000573770261 448706563 /nfs/dbraw/zinc/70/65/63/448706563.db2.gz ZYZOKGUWHZZJJB-ARFHVFGLSA-N 2 1 328.501 1.514 20 0 EDADMP C[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CCC[NH2+]1 ZINC000518775630 448709513 /nfs/dbraw/zinc/70/95/13/448709513.db2.gz SYLLGTAZWILVCZ-BEFAXECRSA-N 2 1 344.459 1.465 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000528923647 448712569 /nfs/dbraw/zinc/71/25/69/448712569.db2.gz HSUMZEVXNSPWJB-UHFFFAOYSA-N 2 1 328.416 1.787 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000592091844 448676143 /nfs/dbraw/zinc/67/61/43/448676143.db2.gz KNUIINKOQVKVSU-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP COc1cc(F)c(C[NH2+]CCCCN2CC[NH+](C)CC2)cc1OC ZINC000519410363 448767533 /nfs/dbraw/zinc/76/75/33/448767533.db2.gz LVTIAYGQKZXCHQ-UHFFFAOYSA-N 2 1 339.455 1.960 20 0 EDADMP C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000519048544 448735498 /nfs/dbraw/zinc/73/54/98/448735498.db2.gz NJYDIFPQZAMWPP-HUUCEWRRSA-N 2 1 348.447 1.356 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529319735 448820361 /nfs/dbraw/zinc/82/03/61/448820361.db2.gz CLZCDLCYGSGBMQ-WBVHZDCISA-N 2 1 346.475 1.314 20 0 EDADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000529320872 448822163 /nfs/dbraw/zinc/82/21/63/448822163.db2.gz GUNUBKBITSSSDQ-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CN1CC[N@@H+](CC2(CN3CC[NH+](C)C(C)(C)C3)COC2)CC1(C)C ZINC000519703348 448824805 /nfs/dbraw/zinc/82/48/05/448824805.db2.gz JJICBPYUYMYLSW-UHFFFAOYSA-N 2 1 338.540 1.055 20 0 EDADMP CN1CC[NH+](CC2(CN3CC[N@H+](C)C(C)(C)C3)COC2)CC1(C)C ZINC000519703348 448824813 /nfs/dbraw/zinc/82/48/13/448824813.db2.gz JJICBPYUYMYLSW-UHFFFAOYSA-N 2 1 338.540 1.055 20 0 EDADMP CN1CC[NH+](CC2(CN3CC[N@@H+](C)C(C)(C)C3)COC2)CC1(C)C ZINC000519703348 448824821 /nfs/dbraw/zinc/82/48/21/448824821.db2.gz JJICBPYUYMYLSW-UHFFFAOYSA-N 2 1 338.540 1.055 20 0 EDADMP Cn1ccnc1[C@H]1CC[N@H+](CC(=O)Nc2cc(C(C)(C)C)nn2C)C1 ZINC000574336393 448849101 /nfs/dbraw/zinc/84/91/01/448849101.db2.gz PIRIXDYKWFDDSS-ZDUSSCGKSA-N 2 1 344.463 1.879 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000568458516 448872485 /nfs/dbraw/zinc/87/24/85/448872485.db2.gz JBENENXEPDWKJU-UAGQMJEPSA-N 2 1 340.512 1.392 20 0 EDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000568493916 448879245 /nfs/dbraw/zinc/87/92/45/448879245.db2.gz CEISZOOTSGQVMD-UHFFFAOYSA-N 2 1 340.512 1.121 20 0 EDADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000568493916 448879256 /nfs/dbraw/zinc/87/92/56/448879256.db2.gz CEISZOOTSGQVMD-UHFFFAOYSA-N 2 1 340.512 1.121 20 0 EDADMP Cn1cc([C@@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000520327141 448883758 /nfs/dbraw/zinc/88/37/58/448883758.db2.gz YJNSTYFVDXWNTJ-INIZCTEOSA-N 2 1 333.480 1.010 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000520327141 448883762 /nfs/dbraw/zinc/88/37/62/448883762.db2.gz YJNSTYFVDXWNTJ-INIZCTEOSA-N 2 1 333.480 1.010 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)COc1cccc2ccccc21)C[NH+]1CCCC1 ZINC000579710167 448859306 /nfs/dbraw/zinc/85/93/06/448859306.db2.gz DSOJIARFBXRZGK-MSOLQXFVSA-N 2 1 344.455 1.626 20 0 EDADMP CCOC(=O)c1ccc(N2CCC[N@@H+](C[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000592493481 448862361 /nfs/dbraw/zinc/86/23/61/448862361.db2.gz RDYRBCCIZXUEQP-HNNXBMFYSA-N 2 1 332.448 1.380 20 0 EDADMP C[C@]1(CO)CCC[N@H+]1Cc1cncc(C[NH+]2CCC[C@@]2(C)CO)c1 ZINC000569075646 448957095 /nfs/dbraw/zinc/95/70/95/448957095.db2.gz XJPQILUUCVCZNR-KDURUIRLSA-N 2 1 333.476 1.775 20 0 EDADMP C[C@]1(CO)CCC[NH+]1Cc1cncc(C[N@@H+]2CCC[C@@]2(C)CO)c1 ZINC000569075646 448957101 /nfs/dbraw/zinc/95/71/01/448957101.db2.gz XJPQILUUCVCZNR-KDURUIRLSA-N 2 1 333.476 1.775 20 0 EDADMP C[C@]1(CO)CCC[NH+]1Cc1cncc(C[N@H+]2CCC[C@@]2(C)CO)c1 ZINC000569075646 448957107 /nfs/dbraw/zinc/95/71/07/448957107.db2.gz XJPQILUUCVCZNR-KDURUIRLSA-N 2 1 333.476 1.775 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)CCN(C)c2cc[nH+]cc2)CCCO1 ZINC000569301461 448994268 /nfs/dbraw/zinc/99/42/68/448994268.db2.gz GOKDGNSJUDEXBW-MRXNPFEDSA-N 2 1 334.464 1.525 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCCC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000582065568 449002947 /nfs/dbraw/zinc/00/29/47/449002947.db2.gz WCJJEMAPXZSHCB-IBGZPJMESA-N 2 1 344.503 1.696 20 0 EDADMP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000569341220 449005976 /nfs/dbraw/zinc/00/59/76/449005976.db2.gz JUYKDZCHZIZCIL-LSDHHAIUSA-N 2 1 328.460 1.886 20 0 EDADMP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000569341220 449005980 /nfs/dbraw/zinc/00/59/80/449005980.db2.gz JUYKDZCHZIZCIL-LSDHHAIUSA-N 2 1 328.460 1.886 20 0 EDADMP C[C@H]1C[C@@H](CO)CC[NH+]1CCOCC[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000582086074 449006976 /nfs/dbraw/zinc/00/69/76/449006976.db2.gz IAQXLRSWXOYMHY-XSLAGTTESA-N 2 1 328.497 1.189 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000522230325 449064933 /nfs/dbraw/zinc/06/49/33/449064933.db2.gz HSNNHFBMLDETCJ-MRXNPFEDSA-N 2 1 345.491 1.782 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCCCC3)C2=O)CC12CCOCC2 ZINC000530225661 449087391 /nfs/dbraw/zinc/08/73/91/449087391.db2.gz VGHODLRYQAFGJI-NVXWUHKLSA-N 2 1 335.492 1.607 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736226 449171214 /nfs/dbraw/zinc/17/12/14/449171214.db2.gz JSWXNXTWVZIISI-DEYYWGMASA-N 2 1 336.480 1.594 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736226 449171221 /nfs/dbraw/zinc/17/12/21/449171221.db2.gz JSWXNXTWVZIISI-DEYYWGMASA-N 2 1 336.480 1.594 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc3nccn3c2)CC1 ZINC000590670055 449238849 /nfs/dbraw/zinc/23/88/49/449238849.db2.gz ROKFLELQYOKZKW-UHFFFAOYSA-N 2 1 336.399 1.733 20 0 EDADMP CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786200 449294654 /nfs/dbraw/zinc/29/46/54/449294654.db2.gz HGVRHYGRVZDDQG-MRXNPFEDSA-N 2 1 327.513 1.970 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000606700656 449510984 /nfs/dbraw/zinc/51/09/84/449510984.db2.gz OBLBKGYBSDLWHP-WBVHZDCISA-N 2 1 340.512 1.469 20 0 EDADMP CCOC(=O)CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)C ZINC000594609728 449592036 /nfs/dbraw/zinc/59/20/36/449592036.db2.gz AFHMLNLMNFGPBB-UHFFFAOYSA-N 2 1 349.479 1.392 20 0 EDADMP CCOC(=O)CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)C ZINC000594609728 449592040 /nfs/dbraw/zinc/59/20/40/449592040.db2.gz AFHMLNLMNFGPBB-UHFFFAOYSA-N 2 1 349.479 1.392 20 0 EDADMP C[NH+]1CCN(CC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000600950736 449612259 /nfs/dbraw/zinc/61/22/59/449612259.db2.gz FXLDSYMTPQBWKD-UHFFFAOYSA-N 2 1 344.503 1.057 20 0 EDADMP COC(=O)[C@H]1CCC[C@@H](n2cc(CC[NH+]3CCC([NH3+])CC3)nn2)C1 ZINC000600978696 449630079 /nfs/dbraw/zinc/63/00/79/449630079.db2.gz FJWJNDQBAHABIQ-XJKSGUPXSA-N 2 1 335.452 1.148 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000594698797 449631349 /nfs/dbraw/zinc/63/13/49/449631349.db2.gz GSUYBBIJXZANNW-MSOLQXFVSA-N 2 1 330.476 1.752 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000594698797 449631355 /nfs/dbraw/zinc/63/13/55/449631355.db2.gz GSUYBBIJXZANNW-MSOLQXFVSA-N 2 1 330.476 1.752 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000594698797 449631367 /nfs/dbraw/zinc/63/13/67/449631367.db2.gz GSUYBBIJXZANNW-MSOLQXFVSA-N 2 1 330.476 1.752 20 0 EDADMP COc1ccc(F)cc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504192 449647489 /nfs/dbraw/zinc/64/74/89/449647489.db2.gz KFBOLDSQBSTIME-ZDUSSCGKSA-N 2 1 325.428 1.836 20 0 EDADMP COc1ccc(F)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504192 449647493 /nfs/dbraw/zinc/64/74/93/449647493.db2.gz KFBOLDSQBSTIME-ZDUSSCGKSA-N 2 1 325.428 1.836 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC000617502517 449647642 /nfs/dbraw/zinc/64/76/42/449647642.db2.gz RWSWEFTZCYSPGQ-WDSOQIARSA-N 2 1 347.503 1.805 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC000617502517 449647645 /nfs/dbraw/zinc/64/76/45/449647645.db2.gz RWSWEFTZCYSPGQ-WDSOQIARSA-N 2 1 347.503 1.805 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C4CC4)cnn3C)C2)CC1 ZINC000597026608 449774355 /nfs/dbraw/zinc/77/43/55/449774355.db2.gz PLHDHFBDHITEGR-KRWDZBQOSA-N 2 1 331.508 1.898 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000608479648 449852569 /nfs/dbraw/zinc/85/25/69/449852569.db2.gz OOUSZBAMKWYTBL-IEBWSBKVSA-N 2 1 333.476 1.326 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)[N@@H+](C)Cc1ccccc1 ZINC000612968717 449963090 /nfs/dbraw/zinc/96/30/90/449963090.db2.gz AWAJMYFJVCMVNX-WBVHZDCISA-N 2 1 330.476 1.948 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612985225 449971153 /nfs/dbraw/zinc/97/11/53/449971153.db2.gz KVUGXNAXRQSOEN-QZTJIDSGSA-N 2 1 342.487 1.950 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)CC3C[NH+](C)C3)cc2)C[C@H](C)O1 ZINC000618195309 450050182 /nfs/dbraw/zinc/05/01/82/450050182.db2.gz CJEOCXXLCURJTF-IYBDPMFKSA-N 2 1 345.487 1.929 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)CC3C[NH+](C)C3)cc2)C[C@H](C)O1 ZINC000618195309 450050187 /nfs/dbraw/zinc/05/01/87/450050187.db2.gz CJEOCXXLCURJTF-IYBDPMFKSA-N 2 1 345.487 1.929 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc4ccnn4c3)C2)CC1 ZINC000610250338 450164594 /nfs/dbraw/zinc/16/45/94/450164594.db2.gz UNOGVMGDKQJQHZ-QGZVFWFLSA-N 2 1 328.464 1.330 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc4ccnn4c3)C2)CC1 ZINC000610250338 450164599 /nfs/dbraw/zinc/16/45/99/450164599.db2.gz UNOGVMGDKQJQHZ-QGZVFWFLSA-N 2 1 328.464 1.330 20 0 EDADMP CCOC(=O)CN(C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1 ZINC000603432465 450300327 /nfs/dbraw/zinc/30/03/27/450300327.db2.gz INMCUPZLUHTHEE-HUUCEWRRSA-N 2 1 333.432 1.298 20 0 EDADMP CN(CCC[N@@H+](C)[C@@H]1CCN(C2CCCCC2)C1=O)CC[NH+](C)C ZINC000625433047 450358433 /nfs/dbraw/zinc/35/84/33/450358433.db2.gz UOJCMMXDBBNLJN-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CC1(C)C ZINC000623351587 450503269 /nfs/dbraw/zinc/50/32/69/450503269.db2.gz WTBRFHBFEANWPP-CQSZACIVSA-N 2 1 325.478 1.339 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1(C)C ZINC000623521689 450536929 /nfs/dbraw/zinc/53/69/29/450536929.db2.gz BQQGQVLBGZRICT-QLFBSQMISA-N 2 1 331.526 1.557 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000623722846 450572704 /nfs/dbraw/zinc/57/27/04/450572704.db2.gz XUVWRALQPCIIID-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000623722846 450572705 /nfs/dbraw/zinc/57/27/05/450572705.db2.gz XUVWRALQPCIIID-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046300 450561908 /nfs/dbraw/zinc/56/19/08/450561908.db2.gz YDGQCDDAKXHBQX-DSLXNQLJSA-N 2 1 345.487 1.468 20 0 EDADMP CC[N@@H+](CCN1C(=O)N[C@H](C)C1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063709 450566264 /nfs/dbraw/zinc/56/62/64/450566264.db2.gz MYFPGCGRKQQFAM-CQSZACIVSA-N 2 1 332.448 1.510 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000621109855 450582490 /nfs/dbraw/zinc/58/24/90/450582490.db2.gz DHICWTXJDZNWPK-SJORKVTESA-N 2 1 330.476 1.992 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000621109855 450582491 /nfs/dbraw/zinc/58/24/91/450582491.db2.gz DHICWTXJDZNWPK-SJORKVTESA-N 2 1 330.476 1.992 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)c2C1 ZINC000633032993 450628172 /nfs/dbraw/zinc/62/81/72/450628172.db2.gz FHCKZRCYAFQXRD-GASCZTMLSA-N 2 1 342.443 1.314 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)c2C1 ZINC000633032993 450628179 /nfs/dbraw/zinc/62/81/79/450628179.db2.gz FHCKZRCYAFQXRD-GASCZTMLSA-N 2 1 342.443 1.314 20 0 EDADMP CNS(=O)(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000621263384 450643009 /nfs/dbraw/zinc/64/30/09/450643009.db2.gz PQRJNUULTWUODE-OAHLLOKOSA-N 2 1 331.526 1.512 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+](C)CCOCC[NH3+] ZINC000629580850 450746727 /nfs/dbraw/zinc/74/67/27/450746727.db2.gz ZUAOQABARNXXTC-AWEZNQCLSA-N 2 1 348.447 1.048 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000629580850 450746732 /nfs/dbraw/zinc/74/67/32/450746732.db2.gz ZUAOQABARNXXTC-AWEZNQCLSA-N 2 1 348.447 1.048 20 0 EDADMP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)CCOCC[NH3+] ZINC000629580198 450748020 /nfs/dbraw/zinc/74/80/20/450748020.db2.gz UTXILHAYFDQYEQ-NSHDSACASA-N 2 1 331.363 1.522 20 0 EDADMP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)CCOCC[NH3+] ZINC000629580198 450748024 /nfs/dbraw/zinc/74/80/24/450748024.db2.gz UTXILHAYFDQYEQ-NSHDSACASA-N 2 1 331.363 1.522 20 0 EDADMP C[C@H](CNS(=O)(=O)CCC[NH+]1CCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000631748924 450748893 /nfs/dbraw/zinc/74/88/93/450748893.db2.gz LSLMFPYTOSYXSV-JKSUJKDBSA-N 2 1 331.526 1.512 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000621647083 450811825 /nfs/dbraw/zinc/81/18/25/450811825.db2.gz CNASSXBULZCDKS-CQSZACIVSA-N 2 1 332.448 1.905 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)ccn1 ZINC000621776218 450863928 /nfs/dbraw/zinc/86/39/28/450863928.db2.gz FYXZBJRHTUMRMA-KRWDZBQOSA-N 2 1 340.475 1.902 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635412198 450919941 /nfs/dbraw/zinc/91/99/41/450919941.db2.gz IKEZJGRHLDVMMQ-HOTGVXAUSA-N 2 1 325.497 1.581 20 0 EDADMP C[NH2+]CCOCCNC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000626938930 451020254 /nfs/dbraw/zinc/02/02/54/451020254.db2.gz MZYDPJKUQIJQEI-UHFFFAOYSA-N 2 1 348.491 1.359 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000626939586 451020663 /nfs/dbraw/zinc/02/06/63/451020663.db2.gz JUZJHBOUVZASPE-QGZVFWFLSA-N 2 1 334.464 1.186 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626947320 451026531 /nfs/dbraw/zinc/02/65/31/451026531.db2.gz RMBSLOIYGMEXBL-CQSZACIVSA-N 2 1 326.485 1.304 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000635543384 451038145 /nfs/dbraw/zinc/03/81/45/451038145.db2.gz PZBLHCQUTBCLKM-KRWDZBQOSA-N 2 1 333.480 1.290 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000626996866 451062168 /nfs/dbraw/zinc/06/21/68/451062168.db2.gz HGIVZZXXKBGCAU-OWTLIXCDSA-N 2 1 348.413 1.780 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000626997734 451062921 /nfs/dbraw/zinc/06/29/21/451062921.db2.gz CAUSOTYKQOUWAA-WMZOPIPTSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000627004277 451069694 /nfs/dbraw/zinc/06/96/94/451069694.db2.gz HYQSPMKAAQIGNL-BPQIPLTHSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@@H](NC(=O)NCCOCCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627009496 451073785 /nfs/dbraw/zinc/07/37/85/451073785.db2.gz GRIVMDBMKDQRNI-SJLPKXTDSA-N 2 1 348.491 1.562 20 0 EDADMP CN(CCOCC[NH3+])C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000627017058 451082036 /nfs/dbraw/zinc/08/20/36/451082036.db2.gz ZARGZZNZDAQMCT-IBGZPJMESA-N 2 1 348.491 1.658 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627023329 451086179 /nfs/dbraw/zinc/08/61/79/451086179.db2.gz QNHDJEFENHUUFE-NJAFHUGGSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC2([NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000627039300 451096332 /nfs/dbraw/zinc/09/63/32/451096332.db2.gz URWMAYSETXYVGY-RDJZCZTQSA-N 2 1 346.475 1.457 20 0 EDADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CC[NH2+]C1 ZINC000627040996 451097254 /nfs/dbraw/zinc/09/72/54/451097254.db2.gz YVZYTRCBWXXLKY-QZTJIDSGSA-N 2 1 330.476 1.950 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000627169263 451162914 /nfs/dbraw/zinc/16/29/14/451162914.db2.gz RGPDXFWYDRBBAK-JKSUJKDBSA-N 2 1 336.505 1.758 20 0 EDADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635705024 451184694 /nfs/dbraw/zinc/18/46/94/451184694.db2.gz RHHWUBVQMNPWFT-QYZOEREBSA-N 2 1 349.519 1.887 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627219399 451193523 /nfs/dbraw/zinc/19/35/23/451193523.db2.gz VKVVOMIPSZAVLP-GOSISDBHSA-N 2 1 348.491 1.310 20 0 EDADMP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC2)CC1 ZINC000635799568 451247944 /nfs/dbraw/zinc/24/79/44/451247944.db2.gz BQADOKSGMAKCJQ-CALCHBBNSA-N 2 1 338.540 1.639 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638118625 451286445 /nfs/dbraw/zinc/28/64/45/451286445.db2.gz BQTBXZLTXLPTHQ-YRWFTTLQSA-N 2 1 344.503 1.164 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000638103192 451270486 /nfs/dbraw/zinc/27/04/86/451270486.db2.gz LRVSUDWSPXXXIF-CAIZAGQASA-N 2 1 345.487 1.923 20 0 EDADMP C[N@@H+](CC(=O)N(CCN1CCOCC1)[C@@H]1CCSC1)C1CCC1 ZINC000640346874 451274594 /nfs/dbraw/zinc/27/45/94/451274594.db2.gz AVZVMGSBKBLLDY-MRXNPFEDSA-N 2 1 341.521 1.137 20 0 EDADMP C[NH+](C)CCC[N@H+](C)CCn1cc(C[C@@H]([NH3+])c2ccccc2)nn1 ZINC000630611825 451275742 /nfs/dbraw/zinc/27/57/42/451275742.db2.gz LBQPTRHGECRLPP-GOSISDBHSA-N 3 1 330.480 1.404 20 0 EDADMP C[NH+](C)CCC[N@@H+](C)CCn1cc(C[C@@H]([NH3+])c2ccccc2)nn1 ZINC000630611825 451275748 /nfs/dbraw/zinc/27/57/48/451275748.db2.gz LBQPTRHGECRLPP-GOSISDBHSA-N 3 1 330.480 1.404 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000638110702 451277701 /nfs/dbraw/zinc/27/77/01/451277701.db2.gz ONSXUCQPPORERX-UKRRQHHQSA-N 2 1 325.478 1.639 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000638110702 451277705 /nfs/dbraw/zinc/27/77/05/451277705.db2.gz ONSXUCQPPORERX-UKRRQHHQSA-N 2 1 325.478 1.639 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000638110702 451277707 /nfs/dbraw/zinc/27/77/07/451277707.db2.gz ONSXUCQPPORERX-UKRRQHHQSA-N 2 1 325.478 1.639 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000638110702 451277709 /nfs/dbraw/zinc/27/77/09/451277709.db2.gz ONSXUCQPPORERX-UKRRQHHQSA-N 2 1 325.478 1.639 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638115007 451282625 /nfs/dbraw/zinc/28/26/25/451282625.db2.gz FGNPIONTZPBZCK-MOPGFXCFSA-N 2 1 346.519 1.826 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638115007 451282627 /nfs/dbraw/zinc/28/26/27/451282627.db2.gz FGNPIONTZPBZCK-MOPGFXCFSA-N 2 1 346.519 1.826 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638115007 451282630 /nfs/dbraw/zinc/28/26/30/451282630.db2.gz FGNPIONTZPBZCK-MOPGFXCFSA-N 2 1 346.519 1.826 20 0 EDADMP CN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000638124498 451294110 /nfs/dbraw/zinc/29/41/10/451294110.db2.gz UFRZBDGCWHDLLX-UHFFFAOYSA-N 2 1 341.459 1.767 20 0 EDADMP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000638126924 451296560 /nfs/dbraw/zinc/29/65/60/451296560.db2.gz RSQHEHOKOZZOPB-HZPDHXFCSA-N 2 1 325.497 1.900 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc3c(cn2)OCCO3)C1 ZINC000638135373 451309382 /nfs/dbraw/zinc/30/93/82/451309382.db2.gz UDIYMOSSUSWZLA-MRXNPFEDSA-N 2 1 335.448 1.786 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3c(cn2)OCCO3)C1 ZINC000638135373 451309391 /nfs/dbraw/zinc/30/93/91/451309391.db2.gz UDIYMOSSUSWZLA-MRXNPFEDSA-N 2 1 335.448 1.786 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)C1CCOCC1 ZINC000638137845 451312170 /nfs/dbraw/zinc/31/21/70/451312170.db2.gz PDVYDUHKHRZDPC-YTQUADARSA-N 2 1 339.524 1.386 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC000635839314 451288166 /nfs/dbraw/zinc/28/81/66/451288166.db2.gz FQAQHYCOOPLYAW-UYAOXDASSA-N 2 1 345.487 1.424 20 0 EDADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635839314 451288170 /nfs/dbraw/zinc/28/81/70/451288170.db2.gz FQAQHYCOOPLYAW-UYAOXDASSA-N 2 1 345.487 1.424 20 0 EDADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635839314 451288173 /nfs/dbraw/zinc/28/81/73/451288173.db2.gz FQAQHYCOOPLYAW-UYAOXDASSA-N 2 1 345.487 1.424 20 0 EDADMP CC(C)(C[NH+]1CCOCC1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000638235770 451372799 /nfs/dbraw/zinc/37/27/99/451372799.db2.gz YZKGIUVYKOLGCS-NSHDSACASA-N 2 1 338.477 1.256 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638271272 451390036 /nfs/dbraw/zinc/39/00/36/451390036.db2.gz OAIJGOWXEORJBP-GOSISDBHSA-N 2 1 332.492 1.435 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638271272 451390041 /nfs/dbraw/zinc/39/00/41/451390041.db2.gz OAIJGOWXEORJBP-GOSISDBHSA-N 2 1 332.492 1.435 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)CC(C)(C)C ZINC000635894219 451337897 /nfs/dbraw/zinc/33/78/97/451337897.db2.gz FDGFZYWPOLVAKE-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CN(CCc1ccccc1)CC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000635976079 451411142 /nfs/dbraw/zinc/41/11/42/451411142.db2.gz VKTVDNHIWZJRKR-SFHVURJKSA-N 2 1 333.476 1.124 20 0 EDADMP C[N@H+](CCc1ccccc1)CC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000635976079 451411145 /nfs/dbraw/zinc/41/11/45/451411145.db2.gz VKTVDNHIWZJRKR-SFHVURJKSA-N 2 1 333.476 1.124 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000635976079 451411147 /nfs/dbraw/zinc/41/11/47/451411147.db2.gz VKTVDNHIWZJRKR-SFHVURJKSA-N 2 1 333.476 1.124 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000635976079 451411150 /nfs/dbraw/zinc/41/11/50/451411150.db2.gz VKTVDNHIWZJRKR-SFHVURJKSA-N 2 1 333.476 1.124 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnn(CC3CC3)c2)CC1 ZINC000630809885 451414554 /nfs/dbraw/zinc/41/45/54/451414554.db2.gz ILXJARGVKCVCOH-UHFFFAOYSA-N 2 1 340.431 1.692 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000632591559 451430665 /nfs/dbraw/zinc/43/06/65/451430665.db2.gz AVLWUWQGBJHDMT-HNNXBMFYSA-N 2 1 329.510 1.407 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000632591559 451430667 /nfs/dbraw/zinc/43/06/67/451430667.db2.gz AVLWUWQGBJHDMT-HNNXBMFYSA-N 2 1 329.510 1.407 20 0 EDADMP C[C@@H]1C[C@H](C)N(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000638357453 451456805 /nfs/dbraw/zinc/45/68/05/451456805.db2.gz MHQWFNXZONWNHM-CYGHRXIMSA-N 2 1 332.492 1.278 20 0 EDADMP C[C@@H]1C[C@H](C)N(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000638357453 451456810 /nfs/dbraw/zinc/45/68/10/451456810.db2.gz MHQWFNXZONWNHM-CYGHRXIMSA-N 2 1 332.492 1.278 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000638379768 451474987 /nfs/dbraw/zinc/47/49/87/451474987.db2.gz MZGUOMPAEPIHFC-HFCFLWKCSA-N 2 1 330.476 1.176 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1C ZINC000630907614 451476860 /nfs/dbraw/zinc/47/68/60/451476860.db2.gz NSBXXRZVLNKTCR-ZWKOTPCHSA-N 2 1 333.476 1.974 20 0 EDADMP CN(CC[NH+]1CCCCC1)C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638398249 451487868 /nfs/dbraw/zinc/48/78/68/451487868.db2.gz UBHKKNNINWYLPR-GOSISDBHSA-N 2 1 332.492 1.390 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638343954 451448517 /nfs/dbraw/zinc/44/85/17/451448517.db2.gz OPLHXSIWIABANL-SFHVURJKSA-N 3 1 344.503 1.438 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638343954 451448522 /nfs/dbraw/zinc/44/85/22/451448522.db2.gz OPLHXSIWIABANL-SFHVURJKSA-N 2 1 344.503 1.438 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638343954 451448530 /nfs/dbraw/zinc/44/85/30/451448530.db2.gz OPLHXSIWIABANL-SFHVURJKSA-N 2 1 344.503 1.438 20 0 EDADMP OCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000634721102 451501214 /nfs/dbraw/zinc/50/12/14/451501214.db2.gz UGKYLWJSUKYXEA-WOJBJXKFSA-N 2 1 348.487 1.391 20 0 EDADMP OCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000634721102 451501220 /nfs/dbraw/zinc/50/12/20/451501220.db2.gz UGKYLWJSUKYXEA-WOJBJXKFSA-N 2 1 348.487 1.391 20 0 EDADMP OC[C@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721239 451501306 /nfs/dbraw/zinc/50/13/06/451501306.db2.gz VOZNJLHUXIZVKN-LEWJYISDSA-N 2 1 340.467 1.817 20 0 EDADMP OC[C@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721239 451501311 /nfs/dbraw/zinc/50/13/11/451501311.db2.gz VOZNJLHUXIZVKN-LEWJYISDSA-N 2 1 340.467 1.817 20 0 EDADMP O=C1[C@@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1C1CCC1 ZINC000634723252 451503847 /nfs/dbraw/zinc/50/38/47/451503847.db2.gz GYQHHPMXQQVKLE-AZUAARDMSA-N 2 1 343.471 1.366 20 0 EDADMP O=C1[C@@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CCN1C1CCC1 ZINC000634723252 451503852 /nfs/dbraw/zinc/50/38/52/451503852.db2.gz GYQHHPMXQQVKLE-AZUAARDMSA-N 2 1 343.471 1.366 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638438402 451516709 /nfs/dbraw/zinc/51/67/09/451516709.db2.gz JCPKYJRSJFAIMP-KRWDZBQOSA-N 2 1 334.508 1.682 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638438402 451516713 /nfs/dbraw/zinc/51/67/13/451516713.db2.gz JCPKYJRSJFAIMP-KRWDZBQOSA-N 2 1 334.508 1.682 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638438402 451516717 /nfs/dbraw/zinc/51/67/17/451516717.db2.gz JCPKYJRSJFAIMP-KRWDZBQOSA-N 2 1 334.508 1.682 20 0 EDADMP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638438402 451516719 /nfs/dbraw/zinc/51/67/19/451516719.db2.gz JCPKYJRSJFAIMP-KRWDZBQOSA-N 2 1 334.508 1.682 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638438402 451516721 /nfs/dbraw/zinc/51/67/21/451516721.db2.gz JCPKYJRSJFAIMP-KRWDZBQOSA-N 2 1 334.508 1.682 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000638505825 451550649 /nfs/dbraw/zinc/55/06/49/451550649.db2.gz OTBJFFQAMQARNF-GOSISDBHSA-N 2 1 342.487 1.448 20 0 EDADMP CCN(C(=O)[C@H]1CCN1Cc1ccc(OC)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000636159589 451554071 /nfs/dbraw/zinc/55/40/71/451554071.db2.gz CZZXECIGECRBSS-SJLPKXTDSA-N 2 1 331.460 1.822 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(C[NH2+]C3CCCC3)nn2)CC1 ZINC000640829731 451614530 /nfs/dbraw/zinc/61/45/30/451614530.db2.gz DLZDQLXHHFXDNZ-CQSZACIVSA-N 2 1 334.468 1.035 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCNC(=O)CC3)cc2)CC1 ZINC000634953814 451622022 /nfs/dbraw/zinc/62/20/22/451622022.db2.gz LFEINNHLZKVMCO-GOSISDBHSA-N 2 1 330.476 1.192 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[NH2+]1 ZINC000638643977 451628138 /nfs/dbraw/zinc/62/81/38/451628138.db2.gz NRXSGGVYTVEBTR-BPQIPLTHSA-N 2 1 330.476 1.232 20 0 EDADMP Cc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)c(-c2cnn(C)c2)c1 ZINC000635002483 451646385 /nfs/dbraw/zinc/64/63/85/451646385.db2.gz SFWOOTGKFIINCG-UHFFFAOYSA-N 2 1 328.460 1.942 20 0 EDADMP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000631229275 451651673 /nfs/dbraw/zinc/65/16/73/451651673.db2.gz IEIKIMKKKQASDK-DOTOQJQBSA-N 2 1 339.505 1.568 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638788440 451692587 /nfs/dbraw/zinc/69/25/87/451692587.db2.gz JWMNBSGHNNZYRB-MRXNPFEDSA-N 2 1 339.505 1.792 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638788440 451692590 /nfs/dbraw/zinc/69/25/90/451692590.db2.gz JWMNBSGHNNZYRB-MRXNPFEDSA-N 2 1 339.505 1.792 20 0 EDADMP C[NH+](C)[C@H]1CCN(c2ccc(NCC(C)(C)[NH+]3CCOCC3)nc2)C1 ZINC000638790099 451692977 /nfs/dbraw/zinc/69/29/77/451692977.db2.gz QIIIYBMVCYIOTF-KRWDZBQOSA-N 2 1 347.507 1.745 20 0 EDADMP [NH3+]C1CCC(OCC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000638805172 451696459 /nfs/dbraw/zinc/69/64/59/451696459.db2.gz YPEXZHAYGQMXNB-VIQWUECVSA-N 2 1 345.487 1.911 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CCCCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000638820609 451701303 /nfs/dbraw/zinc/70/13/03/451701303.db2.gz XKEHZUFZZNOWPQ-OALUTQOASA-N 2 1 344.503 1.705 20 0 EDADMP COc1c(C)c[nH+]c(Cn2cc(Cn3cc(C[NH3+])cn3)nn2)c1C ZINC000640954488 451703355 /nfs/dbraw/zinc/70/33/55/451703355.db2.gz IXHODEMILHCKMV-UHFFFAOYSA-N 2 1 327.392 1.050 20 0 EDADMP COC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000638837032 451706364 /nfs/dbraw/zinc/70/63/64/451706364.db2.gz XHDSUTLPAQFSCC-AEFFLSMTSA-N 2 1 345.487 1.639 20 0 EDADMP O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850039 451710241 /nfs/dbraw/zinc/71/02/41/451710241.db2.gz AYMDKBJGVJLHBP-OALUTQOASA-N 2 1 345.487 1.926 20 0 EDADMP COC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1)C1CC1 ZINC000639082211 451764681 /nfs/dbraw/zinc/76/46/81/451764681.db2.gz YAURFWTUQVLHJY-SOUVJXGZSA-N 2 1 337.443 1.474 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C ZINC000637266451 451775015 /nfs/dbraw/zinc/77/50/15/451775015.db2.gz YGAMZQCWWUHJRC-ZVDSWSACSA-N 2 1 328.501 1.370 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C ZINC000637266451 451775017 /nfs/dbraw/zinc/77/50/17/451775017.db2.gz YGAMZQCWWUHJRC-ZVDSWSACSA-N 2 1 328.501 1.370 20 0 EDADMP CC(C)(CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[NH+]1CCOCC1 ZINC000639196474 451789879 /nfs/dbraw/zinc/78/98/79/451789879.db2.gz CRBSPOFCQWNLMJ-SFHVURJKSA-N 2 1 333.476 1.776 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000639198103 451790359 /nfs/dbraw/zinc/79/03/59/451790359.db2.gz NUQHKNXHKIHFFQ-OAHLLOKOSA-N 2 1 349.450 1.756 20 0 EDADMP O[C@@]1(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641230361 451791192 /nfs/dbraw/zinc/79/11/92/451791192.db2.gz PWYOUXKELWMHHP-MJGOQNOKSA-N 2 1 341.459 1.382 20 0 EDADMP C[NH+](C)C1CCN(CCNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644584138 451876979 /nfs/dbraw/zinc/87/69/79/451876979.db2.gz JBOITTFKOAZFEZ-HXUWFJFHSA-N 2 1 348.535 1.095 20 0 EDADMP C[NH+](C)C1CCN(CCNC[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644584138 451876980 /nfs/dbraw/zinc/87/69/80/451876980.db2.gz JBOITTFKOAZFEZ-HXUWFJFHSA-N 2 1 348.535 1.095 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCO1 ZINC000646839377 451877749 /nfs/dbraw/zinc/87/77/49/451877749.db2.gz BCMIEJOOMVBNTP-JQFCIGGWSA-N 2 1 335.423 1.365 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCO1 ZINC000646839377 451877757 /nfs/dbraw/zinc/87/77/57/451877757.db2.gz BCMIEJOOMVBNTP-JQFCIGGWSA-N 2 1 335.423 1.365 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCO1 ZINC000646851746 451888851 /nfs/dbraw/zinc/88/88/51/451888851.db2.gz ZZWHLKOFKMIVDP-ZVZYQTTQSA-N 2 1 349.450 1.612 20 0 EDADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000637474751 451893111 /nfs/dbraw/zinc/89/31/11/451893111.db2.gz IPXPZMOXBSDWAX-KRWDZBQOSA-N 3 1 339.528 1.138 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CCN(c3ccccn3)C1)CC2 ZINC000651568896 451923506 /nfs/dbraw/zinc/92/35/06/451923506.db2.gz AWXZVOJXXBRINZ-LSDHHAIUSA-N 2 1 325.416 1.544 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000646934904 451949729 /nfs/dbraw/zinc/94/97/29/451949729.db2.gz XNKNKXAFXIJEKD-OALUTQOASA-N 2 1 342.487 1.210 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000639557876 451945580 /nfs/dbraw/zinc/94/55/80/451945580.db2.gz SHTJTEBYGNSQLW-UHFFFAOYSA-N 2 1 346.471 1.418 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CCOC(C)(C)C3)cn2)CC1 ZINC000651596136 451946909 /nfs/dbraw/zinc/94/69/09/451946909.db2.gz WHXSUCNRJFOANV-HNNXBMFYSA-N 2 1 333.480 1.523 20 0 EDADMP C[N@@H+](CCCNC(=O)[C@@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000649281495 451954000 /nfs/dbraw/zinc/95/40/00/451954000.db2.gz NMEYJPHEMLVWIC-HNNXBMFYSA-N 2 1 325.403 1.870 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2C[NH2+]CCOC2)cc1 ZINC000649288494 451963321 /nfs/dbraw/zinc/96/33/21/451963321.db2.gz VHVSVYUVEHWHRA-LPHOPBHVSA-N 2 1 345.487 1.913 20 0 EDADMP COCCC1(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000649293135 451969893 /nfs/dbraw/zinc/96/98/93/451969893.db2.gz AHKPDMPGQJGVHI-CVEARBPZSA-N 2 1 325.497 1.629 20 0 EDADMP COCCO[C@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639602018 451969338 /nfs/dbraw/zinc/96/93/38/451969338.db2.gz MWKDJEXLMLNZBQ-RBUKOAKNSA-N 2 1 334.460 1.361 20 0 EDADMP COCCO[C@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639602018 451969343 /nfs/dbraw/zinc/96/93/43/451969343.db2.gz MWKDJEXLMLNZBQ-RBUKOAKNSA-N 2 1 334.460 1.361 20 0 EDADMP COCCO[C@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639602018 451969346 /nfs/dbraw/zinc/96/93/46/451969346.db2.gz MWKDJEXLMLNZBQ-RBUKOAKNSA-N 2 1 334.460 1.361 20 0 EDADMP COCCO[C@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639602018 451969350 /nfs/dbraw/zinc/96/93/50/451969350.db2.gz MWKDJEXLMLNZBQ-RBUKOAKNSA-N 2 1 334.460 1.361 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(N)CC[N@@H+](C)C1)Cc1ccccc1 ZINC000649292628 451969432 /nfs/dbraw/zinc/96/94/32/451969432.db2.gz UFAITNCIPJBGII-PKOBYXMFSA-N 2 1 332.492 1.089 20 0 EDADMP C[C@@H](CNC(=O)NCCC[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653476601 451974122 /nfs/dbraw/zinc/97/41/22/451974122.db2.gz MGLWDQABDPYCKJ-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](CNC(=O)NCCC[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653476601 451974126 /nfs/dbraw/zinc/97/41/26/451974126.db2.gz MGLWDQABDPYCKJ-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000649305027 451981687 /nfs/dbraw/zinc/98/16/87/451981687.db2.gz XRDUNAXHTBYJRO-OAHLLOKOSA-N 2 1 330.432 1.011 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649308869 451987153 /nfs/dbraw/zinc/98/71/53/451987153.db2.gz DIKZHSNGLDTSBC-LSDHHAIUSA-N 2 1 337.489 1.312 20 0 EDADMP Cc1cncc(CCC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000644795606 451993965 /nfs/dbraw/zinc/99/39/65/451993965.db2.gz FVBLKYWGDYQAOP-LJQANCHMSA-N 2 1 344.503 1.950 20 0 EDADMP Cc1cncc(CCC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000644795606 451993968 /nfs/dbraw/zinc/99/39/68/451993968.db2.gz FVBLKYWGDYQAOP-LJQANCHMSA-N 2 1 344.503 1.950 20 0 EDADMP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000649321885 451999496 /nfs/dbraw/zinc/99/94/96/451999496.db2.gz SYJAHHKXOGWMKV-HQRMLTQVSA-N 2 1 345.487 1.924 20 0 EDADMP Cc1ncc(CNC(=O)CC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)s1 ZINC000639654261 452001956 /nfs/dbraw/zinc/00/19/56/452001956.db2.gz CCSANMGDPGARQL-QGZVFWFLSA-N 2 1 336.505 1.876 20 0 EDADMP Cc1ncc(CNC(=O)CC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)s1 ZINC000639654261 452001961 /nfs/dbraw/zinc/00/19/61/452001961.db2.gz CCSANMGDPGARQL-QGZVFWFLSA-N 2 1 336.505 1.876 20 0 EDADMP Cc1ncc(CNC(=O)CC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)s1 ZINC000639654261 452001967 /nfs/dbraw/zinc/00/19/67/452001967.db2.gz CCSANMGDPGARQL-QGZVFWFLSA-N 2 1 336.505 1.876 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)COC2(C)C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000649330074 452012238 /nfs/dbraw/zinc/01/22/38/452012238.db2.gz UXWGQPLXQAMQMG-FUHWJXTLSA-N 2 1 345.487 1.876 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[C@@H]3C[NH3+])CC2)oc1C ZINC000649331580 452013451 /nfs/dbraw/zinc/01/34/51/452013451.db2.gz DJRWGNOBWXXAKY-SJORKVTESA-N 2 1 348.491 1.995 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000649331732 452013622 /nfs/dbraw/zinc/01/36/22/452013622.db2.gz SCKNLPSPDXCUMD-CABCVRRESA-N 2 1 348.495 1.443 20 0 EDADMP C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)[C@@H]2C1 ZINC000644824386 452015180 /nfs/dbraw/zinc/01/51/80/452015180.db2.gz VOZBZYWYPBMIDB-SMDDNHRTSA-N 2 1 347.369 1.981 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)[C@@H]2C1 ZINC000644824386 452015188 /nfs/dbraw/zinc/01/51/88/452015188.db2.gz VOZBZYWYPBMIDB-SMDDNHRTSA-N 2 1 347.369 1.981 20 0 EDADMP C[C@H](NC(=O)C1([NH3+])CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649340181 452021315 /nfs/dbraw/zinc/02/13/15/452021315.db2.gz HOGQVNARNQKPDC-DOTOQJQBSA-N 2 1 331.460 1.664 20 0 EDADMP C[C@H](NC(=O)C1([NH3+])CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649340181 452021320 /nfs/dbraw/zinc/02/13/20/452021320.db2.gz HOGQVNARNQKPDC-DOTOQJQBSA-N 2 1 331.460 1.664 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)COC2(C)C[NH2+]C2)[C@H]1c1cccs1 ZINC000649341119 452021536 /nfs/dbraw/zinc/02/15/36/452021536.db2.gz OIDCGSPYVSXDKC-BBRMVZONSA-N 2 1 337.489 1.626 20 0 EDADMP COCCC1(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC[NH2+]CC1 ZINC000649341646 452021688 /nfs/dbraw/zinc/02/16/88/452021688.db2.gz NLKOZXRJIJTPKY-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651705907 452025852 /nfs/dbraw/zinc/02/58/52/452025852.db2.gz MAOQCDRGBQZVRV-UHFFFAOYSA-N 2 1 342.491 1.631 20 0 EDADMP CCC[C@@H]1CN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC[N@H+]1CCOC ZINC000649379026 452051950 /nfs/dbraw/zinc/05/19/50/452051950.db2.gz CDKQFYBZPFGYTG-BRWVUGGUSA-N 2 1 325.497 1.853 20 0 EDADMP CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+](CCN3CC[NH2+]CC3)C2)o1 ZINC000649414299 452076994 /nfs/dbraw/zinc/07/69/94/452076994.db2.gz RQIFPKGPQBBAAS-INIZCTEOSA-N 2 1 335.496 1.209 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417988 452080466 /nfs/dbraw/zinc/08/04/66/452080466.db2.gz SZZPVPDOHLHLBZ-SJORKVTESA-N 3 1 336.524 1.299 20 0 EDADMP C[NH+]1CCC2(CC[N@H+](Cc3nnnn3Cc3ccccc3)C2)CC1 ZINC000639759608 452097889 /nfs/dbraw/zinc/09/78/89/452097889.db2.gz DJYYCJRBKKPJON-UHFFFAOYSA-N 2 1 326.448 1.639 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](Cc3nnnn3Cc3ccccc3)C2)CC1 ZINC000639759608 452097898 /nfs/dbraw/zinc/09/78/98/452097898.db2.gz DJYYCJRBKKPJON-UHFFFAOYSA-N 2 1 326.448 1.639 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C1CCN(C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000649488088 452106838 /nfs/dbraw/zinc/10/68/38/452106838.db2.gz BGEXOYAQDUBHMM-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C1CCN(C[C@@H]2CCC[N@H+]2C)CC1 ZINC000649488088 452106845 /nfs/dbraw/zinc/10/68/45/452106845.db2.gz BGEXOYAQDUBHMM-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639771724 452115031 /nfs/dbraw/zinc/11/50/31/452115031.db2.gz WSMXWUIGXIHOJV-KRWDZBQOSA-N 2 1 338.521 1.492 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639771724 452115032 /nfs/dbraw/zinc/11/50/32/452115032.db2.gz WSMXWUIGXIHOJV-KRWDZBQOSA-N 2 1 338.521 1.492 20 0 EDADMP CC(C)[C@@](C)(C[NH3+])NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637850341 452115048 /nfs/dbraw/zinc/11/50/48/452115048.db2.gz AKIDZEPVKANNDY-LJQANCHMSA-N 3 1 346.519 1.860 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000649537394 452134055 /nfs/dbraw/zinc/13/40/55/452134055.db2.gz DNFLGPWQDVMBHJ-KRWDZBQOSA-N 2 1 338.540 1.497 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@@H]2CCC[N@H+]2C)CC1 ZINC000649537394 452134058 /nfs/dbraw/zinc/13/40/58/452134058.db2.gz DNFLGPWQDVMBHJ-KRWDZBQOSA-N 2 1 338.540 1.497 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000637885899 452138154 /nfs/dbraw/zinc/13/81/54/452138154.db2.gz WSFBMUAMQDELDQ-INIZCTEOSA-N 2 1 325.497 1.901 20 0 EDADMP CN(C)c1ncc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647248756 452143778 /nfs/dbraw/zinc/14/37/78/452143778.db2.gz AQFOSRURJZYUQH-MSOLQXFVSA-N 2 1 325.460 1.978 20 0 EDADMP CN(C)c1ncc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647248756 452143782 /nfs/dbraw/zinc/14/37/82/452143782.db2.gz AQFOSRURJZYUQH-MSOLQXFVSA-N 2 1 325.460 1.978 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCN3Cc3ccccn3)C2)C1 ZINC000647252287 452145560 /nfs/dbraw/zinc/14/55/60/452145560.db2.gz BAEXWAFVJBESEO-AZUAARDMSA-N 2 1 342.487 1.990 20 0 EDADMP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)C2)C1 ZINC000647252287 452145566 /nfs/dbraw/zinc/14/55/66/452145566.db2.gz BAEXWAFVJBESEO-AZUAARDMSA-N 2 1 342.487 1.990 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)C2)C1 ZINC000647252287 452145573 /nfs/dbraw/zinc/14/55/73/452145573.db2.gz BAEXWAFVJBESEO-AZUAARDMSA-N 2 1 342.487 1.990 20 0 EDADMP C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2)C1 ZINC000647252287 452145586 /nfs/dbraw/zinc/14/55/86/452145586.db2.gz BAEXWAFVJBESEO-AZUAARDMSA-N 2 1 342.487 1.990 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000645183300 452198690 /nfs/dbraw/zinc/19/86/90/452198690.db2.gz UDSFIHVUCSJQQK-LSDHHAIUSA-N 2 1 336.505 1.152 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000645204465 452209028 /nfs/dbraw/zinc/20/90/28/452209028.db2.gz CZZVKSWEJKJXKF-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP c1ccc2c(N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)cc[nH+]c2c1 ZINC000641719420 452218295 /nfs/dbraw/zinc/21/82/95/452218295.db2.gz QWDNURWIOWUFBR-KRWDZBQOSA-N 2 1 340.471 1.865 20 0 EDADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nc(N)[nH+]c2c1CCCC2 ZINC000645228003 452221291 /nfs/dbraw/zinc/22/12/91/452221291.db2.gz HNIBZFHXGRLVHU-CYBMUJFWSA-N 2 1 331.464 1.627 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nc(N)[nH+]c2c1CCCC2 ZINC000645228003 452221294 /nfs/dbraw/zinc/22/12/94/452221294.db2.gz HNIBZFHXGRLVHU-CYBMUJFWSA-N 2 1 331.464 1.627 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000654065996 452232665 /nfs/dbraw/zinc/23/26/65/452232665.db2.gz JUQZFOQVJDKXSM-KSZLIROESA-N 2 1 331.460 1.344 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000654065996 452232668 /nfs/dbraw/zinc/23/26/68/452232668.db2.gz JUQZFOQVJDKXSM-KSZLIROESA-N 2 1 331.460 1.344 20 0 EDADMP Cc1nc([C@@H](C)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cs1 ZINC000641788358 452263281 /nfs/dbraw/zinc/26/32/81/452263281.db2.gz YTOYEKKHWSDLCT-ZBFHGGJFSA-N 2 1 338.521 1.899 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000647529953 452265532 /nfs/dbraw/zinc/26/55/32/452265532.db2.gz YLABSJGVWMQEOZ-VQTJNVASSA-N 2 1 346.446 1.812 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000647529953 452265542 /nfs/dbraw/zinc/26/55/42/452265542.db2.gz YLABSJGVWMQEOZ-VQTJNVASSA-N 2 1 346.446 1.812 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)CC2 ZINC000641802646 452276506 /nfs/dbraw/zinc/27/65/06/452276506.db2.gz AHNYVLDUVCWCLT-IRXDYDNUSA-N 2 1 347.459 1.304 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000641801839 452276895 /nfs/dbraw/zinc/27/68/95/452276895.db2.gz FQEQIHAKHGMLSM-ROUUACIJSA-N 3 1 344.503 1.614 20 0 EDADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000641802729 452277310 /nfs/dbraw/zinc/27/73/10/452277310.db2.gz BGWWVXNSLNWYGK-JCURWCKSSA-N 2 1 328.460 1.931 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000641801438 452277396 /nfs/dbraw/zinc/27/73/96/452277396.db2.gz CDRIENIEGFWYEE-HZPDHXFCSA-N 2 1 334.439 1.190 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000659431476 452277730 /nfs/dbraw/zinc/27/77/30/452277730.db2.gz NCKWXXRFUMFSQK-OAGGEKHMSA-N 2 1 348.491 1.703 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659443046 452290808 /nfs/dbraw/zinc/29/08/08/452290808.db2.gz WYLDUAFQLFQYLO-CKXIEVRYSA-N 2 1 328.460 1.955 20 0 EDADMP CCO[C@@H]1CN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652128122 452323265 /nfs/dbraw/zinc/32/32/65/452323265.db2.gz PHPHWDLPRDSZIJ-YYIAUSFCSA-N 2 1 340.512 1.360 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C[C@H]1C ZINC000665760742 452330142 /nfs/dbraw/zinc/33/01/42/452330142.db2.gz OKDVLGRTJYCHMJ-GVDBMIGSSA-N 2 1 341.544 1.383 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652149061 452343045 /nfs/dbraw/zinc/34/30/45/452343045.db2.gz QAZGGFFQHNZDBT-IXDOHACOSA-N 2 1 340.512 1.646 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000638057892 452344780 /nfs/dbraw/zinc/34/47/80/452344780.db2.gz DAURREITVGOSKX-IBGZPJMESA-N 2 1 344.503 1.533 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(C2(O)CC2)CC1 ZINC000665764120 452348804 /nfs/dbraw/zinc/34/88/04/452348804.db2.gz VJAIQSGAJZDEIV-HNNXBMFYSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(C2(O)CC2)CC1 ZINC000665764120 452348811 /nfs/dbraw/zinc/34/88/11/452348811.db2.gz VJAIQSGAJZDEIV-HNNXBMFYSA-N 2 1 340.512 1.205 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659495525 452357778 /nfs/dbraw/zinc/35/77/78/452357778.db2.gz BWPFDBQPUSVHIF-QZTJIDSGSA-N 2 1 346.475 1.154 20 0 EDADMP [NH3+]C[C@]1(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCCOC1 ZINC000638068547 452373319 /nfs/dbraw/zinc/37/33/19/452373319.db2.gz CMMLBGAENQNRQQ-LJQANCHMSA-N 2 1 331.460 1.307 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638070801 452378549 /nfs/dbraw/zinc/37/85/49/452378549.db2.gz AONMVVLRAJTBMS-QZTJIDSGSA-N 2 1 332.492 1.246 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638070801 452378557 /nfs/dbraw/zinc/37/85/57/452378557.db2.gz AONMVVLRAJTBMS-QZTJIDSGSA-N 2 1 332.492 1.246 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638070801 452378563 /nfs/dbraw/zinc/37/85/63/452378563.db2.gz AONMVVLRAJTBMS-QZTJIDSGSA-N 2 1 332.492 1.246 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000659522246 452387517 /nfs/dbraw/zinc/38/75/17/452387517.db2.gz JGJMMIBPZCOVIG-QGZVFWFLSA-N 2 1 348.491 1.570 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638079954 452394417 /nfs/dbraw/zinc/39/44/17/452394417.db2.gz JZOMAMHAHBRUFM-LJQANCHMSA-N 2 1 346.519 1.684 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638079954 452394423 /nfs/dbraw/zinc/39/44/23/452394423.db2.gz JZOMAMHAHBRUFM-LJQANCHMSA-N 2 1 346.519 1.684 20 0 EDADMP [NH3+]Cc1ncc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000638080806 452399210 /nfs/dbraw/zinc/39/92/10/452399210.db2.gz QYJWDUYNYCNRAE-QGZVFWFLSA-N 2 1 339.443 1.720 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000663686089 452422134 /nfs/dbraw/zinc/42/21/34/452422134.db2.gz CTGYUKRTDCMPMD-HOTGVXAUSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000663686089 452422143 /nfs/dbraw/zinc/42/21/43/452422143.db2.gz CTGYUKRTDCMPMD-HOTGVXAUSA-N 3 1 339.528 1.042 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000663686089 452422149 /nfs/dbraw/zinc/42/21/49/452422149.db2.gz CTGYUKRTDCMPMD-HOTGVXAUSA-N 3 1 339.528 1.042 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000663686089 452422156 /nfs/dbraw/zinc/42/21/56/452422156.db2.gz CTGYUKRTDCMPMD-HOTGVXAUSA-N 3 1 339.528 1.042 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000663686089 452422161 /nfs/dbraw/zinc/42/21/61/452422161.db2.gz CTGYUKRTDCMPMD-HOTGVXAUSA-N 3 1 339.528 1.042 20 0 EDADMP [NH3+]CC1(CCNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000652240579 452427497 /nfs/dbraw/zinc/42/74/97/452427497.db2.gz HLRJNPOSHSMUOE-LJQANCHMSA-N 2 1 346.475 1.052 20 0 EDADMP CCCN(C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000645474756 452445476 /nfs/dbraw/zinc/44/54/76/452445476.db2.gz NXIPZIUDXSIQQF-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CCCN(C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000645474756 452445483 /nfs/dbraw/zinc/44/54/83/452445483.db2.gz NXIPZIUDXSIQQF-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP [NH3+]Cc1ccc(CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c(F)c1 ZINC000652268803 452456972 /nfs/dbraw/zinc/45/69/72/452456972.db2.gz MCYOZLPOLVQMKY-QGZVFWFLSA-N 2 1 343.406 1.536 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccc(C[NH3+])cc3F)C2)C1 ZINC000652269637 452457250 /nfs/dbraw/zinc/45/72/50/452457250.db2.gz ADNHCMYZUKNIGH-GOSISDBHSA-N 2 1 334.439 1.912 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659603246 452458837 /nfs/dbraw/zinc/45/88/37/452458837.db2.gz XVKWQZFZUIMHIC-WMZOPIPTSA-N 2 1 349.523 1.083 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000655680959 452505479 /nfs/dbraw/zinc/50/54/79/452505479.db2.gz QSVPRIAZUOAZDW-HZPDHXFCSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH2+]C[C@](C)(O)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000652341426 452513542 /nfs/dbraw/zinc/51/35/42/452513542.db2.gz OUMKXEATOMMOQK-AABGKKOBSA-N 2 1 331.504 1.943 20 0 EDADMP Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652348477 452522245 /nfs/dbraw/zinc/52/22/45/452522245.db2.gz FKLFFIFYWPSTKN-OTWHNJEPSA-N 2 1 345.487 1.830 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NCCN1CCc3ccccc31)C2 ZINC000652352419 452528580 /nfs/dbraw/zinc/52/85/80/452528580.db2.gz UUTAIOQEPNXDAK-PXNSSMCTSA-N 2 1 342.487 1.226 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCCN1CCc3ccccc31)C2 ZINC000652352419 452528587 /nfs/dbraw/zinc/52/85/87/452528587.db2.gz UUTAIOQEPNXDAK-PXNSSMCTSA-N 2 1 342.487 1.226 20 0 EDADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000655734621 452545217 /nfs/dbraw/zinc/54/52/17/452545217.db2.gz KSTZVEIPQSKXGS-MSOLQXFVSA-N 2 1 338.492 1.948 20 0 EDADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000655734623 452545483 /nfs/dbraw/zinc/54/54/83/452545483.db2.gz KSTZVEIPQSKXGS-ROUUACIJSA-N 2 1 338.492 1.948 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654487285 452558232 /nfs/dbraw/zinc/55/82/32/452558232.db2.gz FGVQZVKKCLOFPR-WVCIDPQESA-N 2 1 338.496 1.266 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654487285 452558247 /nfs/dbraw/zinc/55/82/47/452558247.db2.gz FGVQZVKKCLOFPR-WVCIDPQESA-N 2 1 338.496 1.266 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654487285 452558257 /nfs/dbraw/zinc/55/82/57/452558257.db2.gz FGVQZVKKCLOFPR-WVCIDPQESA-N 2 1 338.496 1.266 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654487285 452558265 /nfs/dbraw/zinc/55/82/65/452558265.db2.gz FGVQZVKKCLOFPR-WVCIDPQESA-N 2 1 338.496 1.266 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)NCC1([NH3+])CCCC1)C1CCCCC1 ZINC000659699545 452583485 /nfs/dbraw/zinc/58/34/85/452583485.db2.gz XCBIWGBVDSDHBZ-UHFFFAOYSA-N 2 1 338.496 1.145 20 0 EDADMP C[NH+]1CCN(C(=O)C2CCN(c3[nH+]ccc4[nH]ccc43)CC2)CC1 ZINC000647856641 452592400 /nfs/dbraw/zinc/59/24/00/452592400.db2.gz LNPYRUKRBSUWHI-UHFFFAOYSA-N 2 1 327.432 1.553 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661842044 452624588 /nfs/dbraw/zinc/62/45/88/452624588.db2.gz QHOVIDWPDUIIIF-OAGGEKHMSA-N 2 1 328.497 1.641 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661842044 452624594 /nfs/dbraw/zinc/62/45/94/452624594.db2.gz QHOVIDWPDUIIIF-OAGGEKHMSA-N 2 1 328.497 1.641 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000659744768 452642383 /nfs/dbraw/zinc/64/23/83/452642383.db2.gz QKYASDBUIKQYDQ-MRXNPFEDSA-N 2 1 340.512 1.055 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000652464018 452658772 /nfs/dbraw/zinc/65/87/72/452658772.db2.gz GTTQXEVTIJTQMN-IKGGRYGDSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000652464018 452658777 /nfs/dbraw/zinc/65/87/77/452658777.db2.gz GTTQXEVTIJTQMN-IKGGRYGDSA-N 2 1 340.512 1.515 20 0 EDADMP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655907211 452664682 /nfs/dbraw/zinc/66/46/82/452664682.db2.gz DMXOKGVCMQDMOD-DLBZAZTESA-N 2 1 329.448 1.866 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000655927269 452695198 /nfs/dbraw/zinc/69/51/98/452695198.db2.gz HAMPLORDNZCHDG-BNOWGMLFSA-N 2 1 344.381 1.838 20 0 EDADMP Cc1cc(=O)n2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)sc2n1 ZINC000647976156 452721021 /nfs/dbraw/zinc/72/10/21/452721021.db2.gz KZXMXZOFZBZTPD-KBPBESRZSA-N 2 1 347.488 1.671 20 0 EDADMP O=C1[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCN1CC(F)(F)F ZINC000647978177 452723255 /nfs/dbraw/zinc/72/32/55/452723255.db2.gz NRKGVIBJBNQAAS-HZSPNIEDSA-N 2 1 333.398 1.861 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658143622 452750636 /nfs/dbraw/zinc/75/06/36/452750636.db2.gz BOBPTOLHRGHKNC-HOJAQTOUSA-N 2 1 348.487 1.655 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654746 452761960 /nfs/dbraw/zinc/76/19/60/452761960.db2.gz FNMXGXBUAUWWIC-XLMAVXFVSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654746 452761963 /nfs/dbraw/zinc/76/19/63/452761963.db2.gz FNMXGXBUAUWWIC-XLMAVXFVSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@]2(CC[NH+](C)C2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654746 452761969 /nfs/dbraw/zinc/76/19/69/452761969.db2.gz FNMXGXBUAUWWIC-XLMAVXFVSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@]2(CC[NH+](C)C2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654746 452761973 /nfs/dbraw/zinc/76/19/73/452761973.db2.gz FNMXGXBUAUWWIC-XLMAVXFVSA-N 2 1 338.496 1.221 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3CNc4ccnn4C3)CC2)CC1 ZINC000648044713 452779290 /nfs/dbraw/zinc/77/92/90/452779290.db2.gz SSBOYGDGEQMRHN-QGZVFWFLSA-N 2 1 346.523 1.417 20 0 EDADMP Cn1c2ccc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)cc2sc1=O ZINC000648071958 452800501 /nfs/dbraw/zinc/80/05/01/452800501.db2.gz DBVUAOHCYITBFK-UHFFFAOYSA-N 2 1 347.484 1.897 20 0 EDADMP Cn1c2ccc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)cc2sc1=O ZINC000648071958 452800507 /nfs/dbraw/zinc/80/05/07/452800507.db2.gz DBVUAOHCYITBFK-UHFFFAOYSA-N 2 1 347.484 1.897 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)NCCC1(C[NH3+])CC1)C1CCCCC1 ZINC000652682059 452831316 /nfs/dbraw/zinc/83/13/16/452831316.db2.gz AGEXYJQJWNBUNM-UHFFFAOYSA-N 2 1 338.496 1.002 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)co1 ZINC000659942574 452837803 /nfs/dbraw/zinc/83/78/03/452837803.db2.gz MIRDNYFXYNNULN-UHFFFAOYSA-N 2 1 336.480 1.899 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C[C@H](C)[N@@H+]1CCO ZINC000654738786 452866688 /nfs/dbraw/zinc/86/66/88/452866688.db2.gz RCPSVVCWCCTUFZ-TWMKSMIVSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@H](C)[NH+]1CCO ZINC000654738786 452866692 /nfs/dbraw/zinc/86/66/92/452866692.db2.gz RCPSVVCWCCTUFZ-TWMKSMIVSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@H](C)[NH+]1CCO ZINC000654738786 452866695 /nfs/dbraw/zinc/86/66/95/452866695.db2.gz RCPSVVCWCCTUFZ-TWMKSMIVSA-N 2 1 338.496 1.100 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000654758955 452890483 /nfs/dbraw/zinc/89/04/83/452890483.db2.gz XTTZNXXVDLYBRV-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000654758955 452890487 /nfs/dbraw/zinc/89/04/87/452890487.db2.gz XTTZNXXVDLYBRV-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000654758955 452890491 /nfs/dbraw/zinc/89/04/91/452890491.db2.gz XTTZNXXVDLYBRV-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644008633 452923997 /nfs/dbraw/zinc/92/39/97/452923997.db2.gz MTIPZJWSKBDXHH-AWEZNQCLSA-N 2 1 345.434 1.383 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cnc(N3CCCC3)nc2)C1 ZINC000650721967 452952393 /nfs/dbraw/zinc/95/23/93/452952393.db2.gz HIOBYBFRVNOEPI-KZNAEPCWSA-N 2 1 345.491 1.938 20 0 EDADMP Cc1ccc2nc(CNC(=O)NCCN(C)CCC[NH+](C)C)[nH]c2c1 ZINC000664284905 452964058 /nfs/dbraw/zinc/96/40/58/452964058.db2.gz VUBJXDWWXQAQAL-UHFFFAOYSA-N 2 1 346.479 1.554 20 0 EDADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CC3CCCCC3)C2)CC1 ZINC000645977979 452966356 /nfs/dbraw/zinc/96/63/56/452966356.db2.gz PIYVNBLSEHZKNA-SJLPKXTDSA-N 2 1 336.524 1.569 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CC3CCCCC3)C2)CC1 ZINC000645977979 452966364 /nfs/dbraw/zinc/96/63/64/452966364.db2.gz PIYVNBLSEHZKNA-SJLPKXTDSA-N 2 1 336.524 1.569 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N[C@H](c1nccn1C)C(C)(C)CO ZINC000664297038 452975443 /nfs/dbraw/zinc/97/54/43/452975443.db2.gz TUPVLSZQMAJXAF-CQSZACIVSA-N 2 1 339.484 1.511 20 0 EDADMP O=C(CC1CCCC1)N1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250867 452975442 /nfs/dbraw/zinc/97/54/42/452975442.db2.gz QGAZDFGJIXGAQS-QGZVFWFLSA-N 2 1 335.492 1.622 20 0 EDADMP C[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CC(C)(C)[NH3+] ZINC000662292165 453014339 /nfs/dbraw/zinc/01/43/39/453014339.db2.gz CQEDEWNFMFQQKI-UHFFFAOYSA-N 2 1 336.455 1.534 20 0 EDADMP C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CC(C)(C)[NH3+] ZINC000662292165 453014343 /nfs/dbraw/zinc/01/43/43/453014343.db2.gz CQEDEWNFMFQQKI-UHFFFAOYSA-N 2 1 336.455 1.534 20 0 EDADMP c1ccc(-n2nnnc2C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662297734 453019036 /nfs/dbraw/zinc/01/90/36/453019036.db2.gz RJQMAPBRNDYLCP-INIZCTEOSA-N 2 1 326.448 1.874 20 0 EDADMP c1ccc(-n2nnnc2C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662297734 453019039 /nfs/dbraw/zinc/01/90/39/453019039.db2.gz RJQMAPBRNDYLCP-INIZCTEOSA-N 2 1 326.448 1.874 20 0 EDADMP O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000662310046 453028368 /nfs/dbraw/zinc/02/83/68/453028368.db2.gz GOTJUILLJMBLNX-RDJZCZTQSA-N 2 1 337.489 1.892 20 0 EDADMP CC(C)(C)n1nnc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000660116139 453043059 /nfs/dbraw/zinc/04/30/59/453043059.db2.gz VOQHAPCJLZDYSH-ZBFHGGJFSA-N 2 1 332.496 1.919 20 0 EDADMP CC(C)(C)n1nnc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000660116139 453043069 /nfs/dbraw/zinc/04/30/69/453043069.db2.gz VOQHAPCJLZDYSH-ZBFHGGJFSA-N 2 1 332.496 1.919 20 0 EDADMP CC(C)(C)n1nnc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000660116139 453043075 /nfs/dbraw/zinc/04/30/75/453043075.db2.gz VOQHAPCJLZDYSH-ZBFHGGJFSA-N 2 1 332.496 1.919 20 0 EDADMP CC(C)(C)n1nnc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000660116139 453043084 /nfs/dbraw/zinc/04/30/84/453043084.db2.gz VOQHAPCJLZDYSH-ZBFHGGJFSA-N 2 1 332.496 1.919 20 0 EDADMP O=C1CCCN1CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328653 453048482 /nfs/dbraw/zinc/04/84/82/453048482.db2.gz SQEFMNIKQHLQCL-UHFFFAOYSA-N 2 1 345.491 1.679 20 0 EDADMP CCc1nocc1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337225 453052815 /nfs/dbraw/zinc/05/28/15/453052815.db2.gz KHIOMGHXLZMIKZ-CQSZACIVSA-N 2 1 344.463 1.749 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cccc3c2C[NH2+]C3)C[C@@H](C)O1 ZINC000662364181 453073697 /nfs/dbraw/zinc/07/36/97/453073697.db2.gz FRDHGQNYICPAGQ-ZIAGYGMSSA-N 2 1 331.460 1.907 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCc1cscn1 ZINC000664478074 453129046 /nfs/dbraw/zinc/12/90/46/453129046.db2.gz HOWSXLMPMMLHOF-ZDUSSCGKSA-N 2 1 327.498 1.257 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662442785 453150153 /nfs/dbraw/zinc/15/01/53/453150153.db2.gz YFNJCTHWJJHZLE-QZTJIDSGSA-N 2 1 345.487 1.906 20 0 EDADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000646186653 453200205 /nfs/dbraw/zinc/20/02/05/453200205.db2.gz DIJZKNQMZSGSMZ-CVEARBPZSA-N 2 1 348.495 1.019 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000662497309 453212375 /nfs/dbraw/zinc/21/23/75/453212375.db2.gz RJGHOKQZPQKWGW-RHSMWYFYSA-N 2 1 335.448 1.392 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000662497309 453212382 /nfs/dbraw/zinc/21/23/82/453212382.db2.gz RJGHOKQZPQKWGW-RHSMWYFYSA-N 2 1 335.448 1.392 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000666906448 453228984 /nfs/dbraw/zinc/22/89/84/453228984.db2.gz DUKLFCYWPHNZOK-DOTOQJQBSA-N 2 1 346.475 1.762 20 0 EDADMP [NH3+]Cc1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000646232079 453242798 /nfs/dbraw/zinc/24/27/98/453242798.db2.gz KYZNKZXBZDQTKU-KRWDZBQOSA-N 2 1 332.448 1.152 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000666924088 453248091 /nfs/dbraw/zinc/24/80/91/453248091.db2.gz YAUZPKQWPXCLGB-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000666924088 453248095 /nfs/dbraw/zinc/24/80/95/453248095.db2.gz YAUZPKQWPXCLGB-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000666924088 453248100 /nfs/dbraw/zinc/24/81/00/453248100.db2.gz YAUZPKQWPXCLGB-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C1 ZINC000666923265 453248547 /nfs/dbraw/zinc/24/85/47/453248547.db2.gz HQJDQOVXSUTNNN-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)C1 ZINC000666923265 453248557 /nfs/dbraw/zinc/24/85/57/453248557.db2.gz HQJDQOVXSUTNNN-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)C1 ZINC000666923265 453248562 /nfs/dbraw/zinc/24/85/62/453248562.db2.gz HQJDQOVXSUTNNN-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)C1 ZINC000666926339 453252384 /nfs/dbraw/zinc/25/23/84/453252384.db2.gz NULCFBQXJWMANR-INIZCTEOSA-N 3 1 339.528 1.138 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000666926339 453252395 /nfs/dbraw/zinc/25/23/95/453252395.db2.gz NULCFBQXJWMANR-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000666926339 453252405 /nfs/dbraw/zinc/25/24/05/453252405.db2.gz NULCFBQXJWMANR-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000666926339 453252409 /nfs/dbraw/zinc/25/24/09/453252409.db2.gz NULCFBQXJWMANR-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000666926339 453252421 /nfs/dbraw/zinc/25/24/21/453252421.db2.gz NULCFBQXJWMANR-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000648794298 453280103 /nfs/dbraw/zinc/28/01/03/453280103.db2.gz IQAMFFSSLFBGEO-ISARSNTHSA-N 2 1 345.487 1.732 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000648794298 453280108 /nfs/dbraw/zinc/28/01/08/453280108.db2.gz IQAMFFSSLFBGEO-ISARSNTHSA-N 2 1 345.487 1.732 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000648794298 453280119 /nfs/dbraw/zinc/28/01/19/453280119.db2.gz IQAMFFSSLFBGEO-ISARSNTHSA-N 2 1 345.487 1.732 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000648794298 453280123 /nfs/dbraw/zinc/28/01/23/453280123.db2.gz IQAMFFSSLFBGEO-ISARSNTHSA-N 2 1 345.487 1.732 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000653108587 453292204 /nfs/dbraw/zinc/29/22/04/453292204.db2.gz AROMXVRFJITGND-LPHOPBHVSA-N 2 1 346.519 1.956 20 0 EDADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662570963 453298163 /nfs/dbraw/zinc/29/81/63/453298163.db2.gz PKZNDCPNUNLPOY-BREBYQMCSA-N 2 1 326.238 1.693 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000648824673 453305548 /nfs/dbraw/zinc/30/55/48/453305548.db2.gz ATDVUFQWNUNUNG-OAHLLOKOSA-N 2 1 336.480 1.748 20 0 EDADMP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662591530 453318929 /nfs/dbraw/zinc/31/89/29/453318929.db2.gz SVXAWJHVBVTFBS-CABCVRRESA-N 2 1 331.464 1.338 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662602923 453324923 /nfs/dbraw/zinc/32/49/23/453324923.db2.gz SCXGEOQHNNUTHN-UHFFFAOYSA-N 2 1 332.267 1.923 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](N)CC[NH+](C)C)CC2)cc1 ZINC000653148058 453333496 /nfs/dbraw/zinc/33/34/96/453333496.db2.gz MSTCSQKHNPDMRH-SFHVURJKSA-N 2 1 348.491 1.009 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000651192949 453343806 /nfs/dbraw/zinc/34/38/06/453343806.db2.gz GPHJMSMWXOYZQR-UHFFFAOYSA-N 2 1 328.501 1.062 20 0 EDADMP C[C@H](CCNC(=O)[C@H]([NH3+])c1ccccc1Br)[NH+](C)C ZINC000662632305 453347915 /nfs/dbraw/zinc/34/79/15/453347915.db2.gz BKHQWMQCNXAZSP-ZWNOBZJWSA-N 2 1 328.254 1.905 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662699526 453420363 /nfs/dbraw/zinc/42/03/63/453420363.db2.gz BMKLBSXCFVRUFI-IXDOHACOSA-N 2 1 336.524 1.392 20 0 EDADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662749544 453480699 /nfs/dbraw/zinc/48/06/99/453480699.db2.gz JLHAHXBKOQPAEE-IUODEOHRSA-N 2 1 329.391 1.438 20 0 EDADMP C[N@@H+](CCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000662750140 453482001 /nfs/dbraw/zinc/48/20/01/453482001.db2.gz RZNXYIXJAHYQSL-HNNXBMFYSA-N 2 1 347.356 1.916 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000660692345 453517904 /nfs/dbraw/zinc/51/79/04/453517904.db2.gz OTYSJQNMMHQKIM-DOTOQJQBSA-N 2 1 338.496 1.271 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000660703647 453528700 /nfs/dbraw/zinc/52/87/00/453528700.db2.gz FTQKZAMYWDYELU-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000655443146 453529513 /nfs/dbraw/zinc/52/95/13/453529513.db2.gz BUNUCFLHEIHHAI-LNLFQRSKSA-N 2 1 337.508 1.629 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000660705600 453533092 /nfs/dbraw/zinc/53/30/92/453533092.db2.gz WFKHQPGZJXUASU-HOTGVXAUSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000660705600 453533094 /nfs/dbraw/zinc/53/30/94/453533094.db2.gz WFKHQPGZJXUASU-HOTGVXAUSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000660705600 453533097 /nfs/dbraw/zinc/53/30/97/453533097.db2.gz WFKHQPGZJXUASU-HOTGVXAUSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CCOCC1 ZINC000660711095 453540317 /nfs/dbraw/zinc/54/03/17/453540317.db2.gz URHCDEKZJPEXQV-CQSZACIVSA-N 2 1 326.485 1.269 20 0 EDADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662860704 453576914 /nfs/dbraw/zinc/57/69/14/453576914.db2.gz ULMWNAADZQMGRC-MSOLQXFVSA-N 2 1 347.503 1.894 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)[C@H]2C1 ZINC000659038292 453594047 /nfs/dbraw/zinc/59/40/47/453594047.db2.gz OHRXRROWDKBQOZ-JLSDUUJJSA-N 2 1 344.459 1.905 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)C[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000660847634 453604996 /nfs/dbraw/zinc/60/49/96/453604996.db2.gz CLWVYYVDDGMLFR-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659089491 453624748 /nfs/dbraw/zinc/62/47/48/453624748.db2.gz CSNJYSAARQJVAU-UONOGXRCSA-N 2 1 346.475 1.881 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657035157 453638145 /nfs/dbraw/zinc/63/81/45/453638145.db2.gz QVLLGOAVDYXXDZ-HNNXBMFYSA-N 2 1 339.505 1.899 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657035157 453638149 /nfs/dbraw/zinc/63/81/49/453638149.db2.gz QVLLGOAVDYXXDZ-HNNXBMFYSA-N 2 1 339.505 1.899 20 0 EDADMP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(-n2ccnn2)c1 ZINC000665292844 453639684 /nfs/dbraw/zinc/63/96/84/453639684.db2.gz KNVYFDFJTSQJSW-LLVKDONJSA-N 2 1 325.376 1.072 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000663002697 453643621 /nfs/dbraw/zinc/64/36/21/453643621.db2.gz HMFYMPUOTGRDDH-XYTVBORESA-N 2 1 333.476 1.039 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(C2CC[NH2+]CC2)no1 ZINC000663004579 453644534 /nfs/dbraw/zinc/64/45/34/453644534.db2.gz QFEPRCPIJZMSPK-HNNXBMFYSA-N 2 1 346.475 1.993 20 0 EDADMP Cn1ncc(C2CCC2)c1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657349163 453770973 /nfs/dbraw/zinc/77/09/73/453770973.db2.gz DAQGHTSBFSTFDT-OAHLLOKOSA-N 2 1 333.480 1.365 20 0 EDADMP Cn1ncc(C2CCC2)c1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657349163 453770976 /nfs/dbraw/zinc/77/09/76/453770976.db2.gz DAQGHTSBFSTFDT-OAHLLOKOSA-N 2 1 333.480 1.365 20 0 EDADMP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1 ZINC000663362953 453779524 /nfs/dbraw/zinc/77/95/24/453779524.db2.gz GEBSBKNTNYSLPL-RTBURBONSA-N 2 1 348.487 1.886 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C(N)=O)cc1 ZINC000663404002 453790471 /nfs/dbraw/zinc/79/04/71/453790471.db2.gz STKLQMJRPCDROW-ZDUSSCGKSA-N 2 1 335.452 1.179 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C(N)=O)cc1 ZINC000663404002 453790472 /nfs/dbraw/zinc/79/04/72/453790472.db2.gz STKLQMJRPCDROW-ZDUSSCGKSA-N 2 1 335.452 1.179 20 0 EDADMP CC[N@@H+](CCOc1ccccc1OC)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000663504485 453811808 /nfs/dbraw/zinc/81/18/08/453811808.db2.gz YTTSPYWCPWYJHJ-MRXNPFEDSA-N 2 1 349.475 1.593 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000676246093 486706533 /nfs/dbraw/zinc/70/65/33/486706533.db2.gz QROUWSOHXYLFAT-KLHDSHLOSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000676246093 486706534 /nfs/dbraw/zinc/70/65/34/486706534.db2.gz QROUWSOHXYLFAT-KLHDSHLOSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000676246093 486706536 /nfs/dbraw/zinc/70/65/36/486706536.db2.gz QROUWSOHXYLFAT-KLHDSHLOSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000676246093 486706537 /nfs/dbraw/zinc/70/65/37/486706537.db2.gz QROUWSOHXYLFAT-KLHDSHLOSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](CCO)C(C)(C)C1)[N@H+]1CCCC[C@@H]1C ZINC000672723852 486777588 /nfs/dbraw/zinc/77/75/88/486777588.db2.gz NHGXCDYQCOJJTN-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H](NC(=O)N(C)CC[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417899308 486815114 /nfs/dbraw/zinc/81/51/14/486815114.db2.gz SRNCHBDCAXZLTM-ZWKOTPCHSA-N 2 1 348.491 1.527 20 0 EDADMP CC[C@H](NC(=O)N(C)CC[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417899308 486815121 /nfs/dbraw/zinc/81/51/21/486815121.db2.gz SRNCHBDCAXZLTM-ZWKOTPCHSA-N 2 1 348.491 1.527 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000672836752 486814259 /nfs/dbraw/zinc/81/42/59/486814259.db2.gz XCTAEJKGJGANEY-INIZCTEOSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH2+]CCN(C)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418082099 486824407 /nfs/dbraw/zinc/82/44/07/486824407.db2.gz WOLRKVIVQDHNNB-MRXNPFEDSA-N 2 1 336.505 1.465 20 0 EDADMP C[NH2+]CCN(C)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418082099 486824416 /nfs/dbraw/zinc/82/44/16/486824416.db2.gz WOLRKVIVQDHNNB-MRXNPFEDSA-N 2 1 336.505 1.465 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccc(O)cc2)cc[nH+]1 ZINC000684402589 487050627 /nfs/dbraw/zinc/05/06/27/487050627.db2.gz YKFDIQZGVXLIPJ-GJZGRUSLSA-N 2 1 345.422 1.955 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000673677591 487089269 /nfs/dbraw/zinc/08/92/69/487089269.db2.gz HYKLYYKZFMXWKW-HKUYNNGSSA-N 2 1 342.487 1.990 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000673677591 487089274 /nfs/dbraw/zinc/08/92/74/487089274.db2.gz HYKLYYKZFMXWKW-HKUYNNGSSA-N 2 1 342.487 1.990 20 0 EDADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673666859 487083369 /nfs/dbraw/zinc/08/33/69/487083369.db2.gz KSBLNFPAAASOIE-QUCCMNQESA-N 2 1 343.471 1.224 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000673666859 487083371 /nfs/dbraw/zinc/08/33/71/487083371.db2.gz KSBLNFPAAASOIE-QUCCMNQESA-N 2 1 343.471 1.224 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000673666859 487083373 /nfs/dbraw/zinc/08/33/73/487083373.db2.gz KSBLNFPAAASOIE-QUCCMNQESA-N 2 1 343.471 1.224 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000674400608 487252806 /nfs/dbraw/zinc/25/28/06/487252806.db2.gz SUWUDJOMJOCPNF-HLLBOEOZSA-N 2 1 338.496 1.079 20 0 EDADMP COC[C@H](C)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000685460694 487279145 /nfs/dbraw/zinc/27/91/45/487279145.db2.gz GGQHBBSFUSBVDR-BRWVUGGUSA-N 2 1 328.497 1.859 20 0 EDADMP CC1(C)CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1CCO ZINC000682011483 487282244 /nfs/dbraw/zinc/28/22/44/487282244.db2.gz UNBHFAIXIJBKKM-UHFFFAOYSA-N 2 1 345.487 1.811 20 0 EDADMP CC1(C)CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1CCO ZINC000682011483 487282248 /nfs/dbraw/zinc/28/22/48/487282248.db2.gz UNBHFAIXIJBKKM-UHFFFAOYSA-N 2 1 345.487 1.811 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)[N@H+](C)C1 ZINC000500379293 487395326 /nfs/dbraw/zinc/39/53/26/487395326.db2.gz MUYOZYFHYLLULT-FZCLSBEQSA-N 2 1 333.476 1.822 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)[N@@H+](C)C1 ZINC000500379293 487395328 /nfs/dbraw/zinc/39/53/28/487395328.db2.gz MUYOZYFHYLLULT-FZCLSBEQSA-N 2 1 333.476 1.822 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000675624431 487429649 /nfs/dbraw/zinc/42/96/49/487429649.db2.gz QVWJCRAPTNHVNY-HOCLYGCPSA-N 2 1 336.484 1.639 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000668942717 485476294 /nfs/dbraw/zinc/47/62/94/485476294.db2.gz MFEZOEOXCQWOSF-LSDHHAIUSA-N 2 1 340.512 1.070 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000669517943 485484130 /nfs/dbraw/zinc/48/41/30/485484130.db2.gz YUJYRZKBVHFWFG-RCCFBDPRSA-N 2 1 343.471 1.804 20 0 EDADMP CC[C@H](NC(=O)NC/C=C\C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669533034 485508510 /nfs/dbraw/zinc/50/85/10/485508510.db2.gz KVONXKULMBEVFB-LUNNPTDRSA-N 2 1 346.475 1.480 20 0 EDADMP CC[C@H](NC(=O)NC/C=C\C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669533034 485508515 /nfs/dbraw/zinc/50/85/15/485508515.db2.gz KVONXKULMBEVFB-LUNNPTDRSA-N 2 1 346.475 1.480 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669534148 485511822 /nfs/dbraw/zinc/51/18/22/485511822.db2.gz OEEXAOYBOJLCPN-YVSFHVDLSA-N 2 1 336.480 1.023 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000669021332 485568062 /nfs/dbraw/zinc/56/80/62/485568062.db2.gz RNWTZDAENQXADK-FCLJQHQZSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000669573794 485605843 /nfs/dbraw/zinc/60/58/43/485605843.db2.gz YIOOVHDDAXQMTN-RYQLBKOJSA-N 2 1 346.475 1.266 20 0 EDADMP COc1ccccc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000199431150 485650801 /nfs/dbraw/zinc/65/08/01/485650801.db2.gz IMEZTUARNSUGKL-UHFFFAOYSA-N 2 1 331.460 1.681 20 0 EDADMP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000342785006 485918708 /nfs/dbraw/zinc/91/87/08/485918708.db2.gz LJZPYHAUXNHLGE-VEHMJYNQSA-N 2 1 349.519 1.817 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)CC(C)(C)[NH3+])CC1)Cc1ccccc1 ZINC000237135861 485954146 /nfs/dbraw/zinc/95/41/46/485954146.db2.gz HGOWKPYYIZBBDN-UHFFFAOYSA-N 2 1 332.492 1.390 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669388797 486024398 /nfs/dbraw/zinc/02/43/98/486024398.db2.gz QLHBNOZVFVVXAR-SJORKVTESA-N 2 1 340.512 1.376 20 0 EDADMP CC(C)(CNC(=O)NCC[NH2+]C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000669389288 486024957 /nfs/dbraw/zinc/02/49/57/486024957.db2.gz USBBBYLWRCJDLH-UHFFFAOYSA-N 2 1 330.476 1.875 20 0 EDADMP C[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000515669458 486060873 /nfs/dbraw/zinc/06/08/73/486060873.db2.gz ZXZKIWVGPFEWEM-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000515669458 486060881 /nfs/dbraw/zinc/06/08/81/486060881.db2.gz ZXZKIWVGPFEWEM-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000669406515 486080974 /nfs/dbraw/zinc/08/09/74/486080974.db2.gz UMENZPBDUBHKBM-ILXRZTDVSA-N 2 1 326.485 1.255 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000669484316 486249902 /nfs/dbraw/zinc/24/99/02/486249902.db2.gz QHTGBKNXRLOLKJ-OAHLLOKOSA-N 2 1 337.512 1.116 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000669484316 486249906 /nfs/dbraw/zinc/24/99/06/486249906.db2.gz QHTGBKNXRLOLKJ-OAHLLOKOSA-N 2 1 337.512 1.116 20 0 EDADMP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491292 486263751 /nfs/dbraw/zinc/26/37/51/486263751.db2.gz SYPBIIBIKNQTLO-GOSISDBHSA-N 2 1 330.476 1.684 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669491343 486263833 /nfs/dbraw/zinc/26/38/33/486263833.db2.gz WBXISBVEENIEDG-OKZBNKHCSA-N 2 1 334.508 1.892 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC000669928652 486514969 /nfs/dbraw/zinc/51/49/69/486514969.db2.gz BAHSYVBTOWFJCA-GOSISDBHSA-N 2 1 331.460 1.614 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC000669928652 486514973 /nfs/dbraw/zinc/51/49/73/486514973.db2.gz BAHSYVBTOWFJCA-GOSISDBHSA-N 2 1 331.460 1.614 20 0 EDADMP C[N@@H+](CCN1CCOCC1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092974979 491205271 /nfs/dbraw/zinc/20/52/71/491205271.db2.gz JZDNLSDPWFDUQU-UHFFFAOYSA-N 2 1 347.503 1.925 20 0 EDADMP COC[C@]1(CO)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420959069 491006406 /nfs/dbraw/zinc/00/64/06/491006406.db2.gz FEOHKOHPJBEGEY-LJQANCHMSA-N 2 1 334.460 1.350 20 0 EDADMP COC[C@]1(CO)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420959069 491006407 /nfs/dbraw/zinc/00/64/07/491006407.db2.gz FEOHKOHPJBEGEY-LJQANCHMSA-N 2 1 334.460 1.350 20 0 EDADMP COC1CC[NH+](CCNC(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000080098862 491170451 /nfs/dbraw/zinc/17/04/51/491170451.db2.gz QBZHNDAUMSIHJN-UHFFFAOYSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000541369906 518180781 /nfs/dbraw/zinc/18/07/81/518180781.db2.gz VWXWJTQNXBFCOU-HZPDHXFCSA-N 2 1 333.480 1.523 20 0 EDADMP CC(C)([NH3+])C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000262660674 535196372 /nfs/dbraw/zinc/19/63/72/535196372.db2.gz XLAKWHYNGUKKCZ-UHFFFAOYSA-N 2 1 332.492 1.438 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000346130972 535207105 /nfs/dbraw/zinc/20/71/05/535207105.db2.gz ACFYDHZLDFGJBD-BRWVUGGUSA-N 2 1 325.497 1.580 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090511934 535514725 /nfs/dbraw/zinc/51/47/25/535514725.db2.gz AIHDNWVXZNIJBW-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090511934 535514730 /nfs/dbraw/zinc/51/47/30/535514730.db2.gz AIHDNWVXZNIJBW-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+](CC)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000076673567 535637874 /nfs/dbraw/zinc/63/78/74/535637874.db2.gz GABMMBXTBYCPSL-INIZCTEOSA-N 2 1 333.476 1.865 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)C1 ZINC000154939162 535759329 /nfs/dbraw/zinc/75/93/29/535759329.db2.gz RCAOLWPCIBYPFK-MRXNPFEDSA-N 2 1 348.447 1.214 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)C1 ZINC000154939162 535759334 /nfs/dbraw/zinc/75/93/34/535759334.db2.gz RCAOLWPCIBYPFK-MRXNPFEDSA-N 2 1 348.447 1.214 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+](CCOC)CC1)c1ccccc1 ZINC000264028486 535761289 /nfs/dbraw/zinc/76/12/89/535761289.db2.gz LUICNWQTRMTWTR-SFHVURJKSA-N 2 1 333.476 1.906 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1N1CCCC1 ZINC000262002011 536304456 /nfs/dbraw/zinc/30/44/56/536304456.db2.gz DRBFLAYLUQHRBA-UHFFFAOYSA-N 2 1 330.476 1.541 20 0 EDADMP C[NH2+][C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000262448920 536335788 /nfs/dbraw/zinc/33/57/88/536335788.db2.gz VQNHZUNHSQCUJE-GOSISDBHSA-N 2 1 341.459 1.593 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000353067198 536748993 /nfs/dbraw/zinc/74/89/93/536748993.db2.gz NOYDIPKPYBEQBS-UHFFFAOYSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](C(=O)NCCCCCCC[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000732912854 578735432 /nfs/dbraw/zinc/73/54/32/578735432.db2.gz NUTNMCYMYJUZSF-SFHVURJKSA-N 2 1 338.540 1.785 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000735648553 578908140 /nfs/dbraw/zinc/90/81/40/578908140.db2.gz DZSJOGNFBJOQRR-UHFFFAOYSA-N 2 1 338.540 1.739 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000750866000 579784771 /nfs/dbraw/zinc/78/47/71/579784771.db2.gz RJPXFJKUGKXCGE-UHFFFAOYSA-N 2 1 331.460 1.621 20 0 EDADMP COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1Cn1cccn1 ZINC000762785984 580083108 /nfs/dbraw/zinc/08/31/08/580083108.db2.gz JHLIZVCSURFUEW-DNVCBOLYSA-N 2 1 344.459 1.657 20 0 EDADMP COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1Cn1cccn1 ZINC000762785984 580083109 /nfs/dbraw/zinc/08/31/09/580083109.db2.gz JHLIZVCSURFUEW-DNVCBOLYSA-N 2 1 344.459 1.657 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)OC)C2)[C@@H](C)C1 ZINC000765631613 580146860 /nfs/dbraw/zinc/14/68/60/580146860.db2.gz SVRONHQUYRVLPU-ULQDDVLXSA-N 2 1 341.496 1.944 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C(F)(F)C2(O)CCC2)CC1 ZINC000767313342 580186224 /nfs/dbraw/zinc/18/62/24/580186224.db2.gz DACTVJYWYVQQDV-UHFFFAOYSA-N 2 1 340.374 1.322 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000780208192 580516107 /nfs/dbraw/zinc/51/61/07/580516107.db2.gz JUGYPARYPSBCJK-LSDHHAIUSA-N 2 1 342.553 1.122 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000780208192 580516108 /nfs/dbraw/zinc/51/61/08/580516108.db2.gz JUGYPARYPSBCJK-LSDHHAIUSA-N 2 1 342.553 1.122 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000780208192 580516109 /nfs/dbraw/zinc/51/61/09/580516109.db2.gz JUGYPARYPSBCJK-LSDHHAIUSA-N 2 1 342.553 1.122 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000782770019 580584735 /nfs/dbraw/zinc/58/47/35/580584735.db2.gz SDVASQNLCVXBHJ-HXUWFJFHSA-N 2 1 345.487 1.908 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CCCOC1 ZINC000793328789 580842219 /nfs/dbraw/zinc/84/22/19/580842219.db2.gz FRAVYHINGGJGSJ-DLBZAZTESA-N 2 1 325.497 1.678 20 0 EDADMP CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000893115010 590668462 /nfs/dbraw/zinc/66/84/62/590668462.db2.gz ZXEZQYCPSVLHHK-DLBZAZTESA-N 2 1 340.512 1.328 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891901130 590679597 /nfs/dbraw/zinc/67/95/97/590679597.db2.gz FJBWGKYIYHNNGV-RWMBFGLXSA-N 2 1 338.418 1.885 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)[NH3+])C1 ZINC000892034221 590762486 /nfs/dbraw/zinc/76/24/86/590762486.db2.gz MKNZEFGNMVACOA-INIZCTEOSA-N 2 1 334.464 1.232 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)[NH3+])C1 ZINC000892034221 590762490 /nfs/dbraw/zinc/76/24/90/590762490.db2.gz MKNZEFGNMVACOA-INIZCTEOSA-N 2 1 334.464 1.232 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000892095939 590795897 /nfs/dbraw/zinc/79/58/97/590795897.db2.gz ZBWKZMULPBZVLU-RYQLBKOJSA-N 2 1 330.476 1.867 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000893398226 590842893 /nfs/dbraw/zinc/84/28/93/590842893.db2.gz HXNIXWZMUZNKMY-MRXNPFEDSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000893620507 591013594 /nfs/dbraw/zinc/01/35/94/591013594.db2.gz CRUFBLRRRHHULD-KANFNMMFSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000893620507 591013598 /nfs/dbraw/zinc/01/35/98/591013598.db2.gz CRUFBLRRRHHULD-KANFNMMFSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000893620507 591013599 /nfs/dbraw/zinc/01/35/99/591013599.db2.gz CRUFBLRRRHHULD-KANFNMMFSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000892484355 591044181 /nfs/dbraw/zinc/04/41/81/591044181.db2.gz HWJSIWROSYQURA-GJZGRUSLSA-N 2 1 340.512 1.251 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891346706 591052453 /nfs/dbraw/zinc/05/24/53/591052453.db2.gz CCSMEAUIKMHBKO-IEBWSBKVSA-N 2 1 328.460 1.629 20 0 EDADMP CC[C@H](CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000891349500 591054345 /nfs/dbraw/zinc/05/43/45/591054345.db2.gz XLQJKCURBLJUNV-BMGDILEWSA-N 2 1 330.476 1.954 20 0 EDADMP CN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000893742929 591072937 /nfs/dbraw/zinc/07/29/37/591072937.db2.gz MZYCROINRMLWMW-GVDBMIGSSA-N 2 1 338.496 1.100 20 0 EDADMP CC[NH+]1CCN(c2ccnc(N3CC[N@@H+](CC)C[C@@H]3C)n2)[C@H](C)C1 ZINC000893830349 591106768 /nfs/dbraw/zinc/10/67/68/591106768.db2.gz RZVVMCUVYDBOSA-CVEARBPZSA-N 2 1 332.496 1.537 20 0 EDADMP COc1ccc2[nH+]ccc(N3CC[NH+](CC[S@](C)=O)CC3)c2c1 ZINC000892658736 591114093 /nfs/dbraw/zinc/11/40/93/591114093.db2.gz WOPSCOUWKYZRPI-QHCPKHFHSA-N 2 1 333.457 1.744 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000893868434 591121217 /nfs/dbraw/zinc/12/12/17/591121217.db2.gz XTRXAKVIABULNW-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H](CNC(=O)N(C)C1(C[NH3+])CCCCC1)C[NH+]1CCOCC1 ZINC000891584067 591135229 /nfs/dbraw/zinc/13/52/29/591135229.db2.gz ORIXPBCTIIYJCN-OAHLLOKOSA-N 2 1 326.485 1.258 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891596382 591141142 /nfs/dbraw/zinc/14/11/42/591141142.db2.gz AHEJXZBOYRSOOM-CYBMUJFWSA-N 2 1 329.395 1.516 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892754796 591160965 /nfs/dbraw/zinc/16/09/65/591160965.db2.gz BZOIITYBDAHNNQ-LSDHHAIUSA-N 2 1 338.496 1.317 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000891698795 591189772 /nfs/dbraw/zinc/18/97/72/591189772.db2.gz JWVNWXOXFUYHEC-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000891698795 591189774 /nfs/dbraw/zinc/18/97/74/591189774.db2.gz JWVNWXOXFUYHEC-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000891698795 591189777 /nfs/dbraw/zinc/18/97/77/591189777.db2.gz JWVNWXOXFUYHEC-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000891698795 591189780 /nfs/dbraw/zinc/18/97/80/591189780.db2.gz JWVNWXOXFUYHEC-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000894346230 591285240 /nfs/dbraw/zinc/28/52/40/591285240.db2.gz STPGMAVUNWPYIL-ROUUACIJSA-N 2 1 330.476 1.636 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21)CCC(F)(F)F ZINC000894428821 591309757 /nfs/dbraw/zinc/30/97/57/591309757.db2.gz SGBCBQQCBYBSLP-QWHCGFSZSA-N 2 1 336.402 1.606 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)CCC(F)(F)F ZINC000894428821 591309759 /nfs/dbraw/zinc/30/97/59/591309759.db2.gz SGBCBQQCBYBSLP-QWHCGFSZSA-N 2 1 336.402 1.606 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)CCC(F)(F)F ZINC000894428821 591309761 /nfs/dbraw/zinc/30/97/61/591309761.db2.gz SGBCBQQCBYBSLP-QWHCGFSZSA-N 2 1 336.402 1.606 20 0 EDADMP C[C@H]1CCc2[nH]nc(C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)c2C1 ZINC000896324877 591419519 /nfs/dbraw/zinc/41/95/19/591419519.db2.gz KVTNBFVRAPBWGX-UONOGXRCSA-N 2 1 345.491 1.433 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000896426778 591464090 /nfs/dbraw/zinc/46/40/90/591464090.db2.gz FVZXWCLRTHXVJW-BHIYHBOVSA-N 2 1 344.503 1.432 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)N1CCN(C)CC1 ZINC000896426778 591464092 /nfs/dbraw/zinc/46/40/92/591464092.db2.gz FVZXWCLRTHXVJW-BHIYHBOVSA-N 2 1 344.503 1.432 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000896610332 591547033 /nfs/dbraw/zinc/54/70/33/591547033.db2.gz VTZZZONHAYTGLW-RBSFLKMASA-N 2 1 326.510 1.207 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000896610332 591547038 /nfs/dbraw/zinc/54/70/38/591547038.db2.gz VTZZZONHAYTGLW-RBSFLKMASA-N 2 1 326.510 1.207 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000896610332 591547041 /nfs/dbraw/zinc/54/70/41/591547041.db2.gz VTZZZONHAYTGLW-RBSFLKMASA-N 2 1 326.510 1.207 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@@H]2CCCC[NH+](C)C2)CC[N@H+]1CC(C)(C)O ZINC000897554124 591550803 /nfs/dbraw/zinc/55/08/03/591550803.db2.gz OJIKSEQKRFECPG-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000897554124 591550805 /nfs/dbraw/zinc/55/08/05/591550805.db2.gz OJIKSEQKRFECPG-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000897554124 591550808 /nfs/dbraw/zinc/55/08/08/591550808.db2.gz OJIKSEQKRFECPG-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC[NH+]2CCCC2(C)C)C1 ZINC000909428154 591560245 /nfs/dbraw/zinc/56/02/45/591560245.db2.gz BJFHDQMNYVWCBH-HNNXBMFYSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC[NH+]2CCCC2(C)C)C1 ZINC000909428154 591560247 /nfs/dbraw/zinc/56/02/47/591560247.db2.gz BJFHDQMNYVWCBH-HNNXBMFYSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCC[N@@H+]2CCCC2(C)C)C1 ZINC000909428154 591560249 /nfs/dbraw/zinc/56/02/49/591560249.db2.gz BJFHDQMNYVWCBH-HNNXBMFYSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCC[N@H+]2CCCC2(C)C)C1 ZINC000909428154 591560250 /nfs/dbraw/zinc/56/02/50/591560250.db2.gz BJFHDQMNYVWCBH-HNNXBMFYSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC[NH+]2CCCC2(C)C)C1 ZINC000909428155 591560472 /nfs/dbraw/zinc/56/04/72/591560472.db2.gz BJFHDQMNYVWCBH-OAHLLOKOSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC[NH+]2CCCC2(C)C)C1 ZINC000909428155 591560475 /nfs/dbraw/zinc/56/04/75/591560475.db2.gz BJFHDQMNYVWCBH-OAHLLOKOSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCC[N@@H+]2CCCC2(C)C)C1 ZINC000909428155 591560478 /nfs/dbraw/zinc/56/04/78/591560478.db2.gz BJFHDQMNYVWCBH-OAHLLOKOSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCC[N@H+]2CCCC2(C)C)C1 ZINC000909428155 591560480 /nfs/dbraw/zinc/56/04/80/591560480.db2.gz BJFHDQMNYVWCBH-OAHLLOKOSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000909439626 591571854 /nfs/dbraw/zinc/57/18/54/591571854.db2.gz QWELPXOWJDRSBV-HZPDHXFCSA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000909439626 591571857 /nfs/dbraw/zinc/57/18/57/591571857.db2.gz QWELPXOWJDRSBV-HZPDHXFCSA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000909439626 591571860 /nfs/dbraw/zinc/57/18/60/591571860.db2.gz QWELPXOWJDRSBV-HZPDHXFCSA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000909439626 591571864 /nfs/dbraw/zinc/57/18/64/591571864.db2.gz QWELPXOWJDRSBV-HZPDHXFCSA-N 2 1 339.480 1.203 20 0 EDADMP C[C@H](c1cccnc1)N1C(=O)C[C@@H](N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1=O ZINC000899254076 591746323 /nfs/dbraw/zinc/74/63/23/591746323.db2.gz NSBPZOSFIYBVNH-PSFFPDNBSA-N 2 1 342.443 1.154 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000895463708 591766915 /nfs/dbraw/zinc/76/69/15/591766915.db2.gz BAMFASIJGOAGTP-ROUUACIJSA-N 2 1 345.487 1.876 20 0 EDADMP CN1CCC[C@H]1c1cc(C(=O)N2CCC([N@H+](C)CCCO)CC2)[nH]n1 ZINC000897235264 591781034 /nfs/dbraw/zinc/78/10/34/591781034.db2.gz QEIYDZHEGCRQGZ-KRWDZBQOSA-N 2 1 349.479 1.095 20 0 EDADMP CN1CCC[C@H]1c1cc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)[nH]n1 ZINC000897235264 591781037 /nfs/dbraw/zinc/78/10/37/591781037.db2.gz QEIYDZHEGCRQGZ-KRWDZBQOSA-N 2 1 349.479 1.095 20 0 EDADMP C[N@H+](CCCO)C1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000897235264 591781039 /nfs/dbraw/zinc/78/10/39/591781039.db2.gz QEIYDZHEGCRQGZ-KRWDZBQOSA-N 2 1 349.479 1.095 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000897235264 591781042 /nfs/dbraw/zinc/78/10/42/591781042.db2.gz QEIYDZHEGCRQGZ-KRWDZBQOSA-N 2 1 349.479 1.095 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000897235264 591781044 /nfs/dbraw/zinc/78/10/44/591781044.db2.gz QEIYDZHEGCRQGZ-KRWDZBQOSA-N 2 1 349.479 1.095 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000897235264 591781047 /nfs/dbraw/zinc/78/10/47/591781047.db2.gz QEIYDZHEGCRQGZ-KRWDZBQOSA-N 2 1 349.479 1.095 20 0 EDADMP C[C@@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000898120940 591788661 /nfs/dbraw/zinc/78/86/61/591788661.db2.gz DLKZTRFMBNXKNX-XHSDSOJGSA-N 2 1 337.508 1.601 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898121817 591789163 /nfs/dbraw/zinc/78/91/63/591789163.db2.gz VVNNJBLYIPDUJZ-UHFFFAOYSA-N 2 1 334.464 1.325 20 0 EDADMP COC(=O)c1ccccc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000897311048 591828917 /nfs/dbraw/zinc/82/89/17/591828917.db2.gz OWPFCRVTULUBNN-QGZVFWFLSA-N 2 1 332.444 1.859 20 0 EDADMP CC[N@@H+](CCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)C1CCCCC1 ZINC000898273274 591848897 /nfs/dbraw/zinc/84/88/97/591848897.db2.gz VEZMIVICLAZADK-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCN(c2ccccc2NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900070733 591886581 /nfs/dbraw/zinc/88/65/81/591886581.db2.gz BNWJFYZQRRFSBE-LJQANCHMSA-N 2 1 346.475 1.224 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000900191171 591935477 /nfs/dbraw/zinc/93/54/77/591935477.db2.gz NPNNHCSSECOVLH-JFIYKMOQSA-N 2 1 325.497 1.314 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)[NH+]1CCC(C)CC1 ZINC000900191171 591935479 /nfs/dbraw/zinc/93/54/79/591935479.db2.gz NPNNHCSSECOVLH-JFIYKMOQSA-N 2 1 325.497 1.314 20 0 EDADMP CC1CCN(c2ccc(CNC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)cn2)CC1 ZINC000900233733 591949969 /nfs/dbraw/zinc/94/99/69/591949969.db2.gz ZNVMJCHROAKONU-LPHOPBHVSA-N 2 1 346.475 1.389 20 0 EDADMP CC1CCN(c2ccc(CNC(=O)[C@]3(C)C[C@H](O)CN3C)cn2)CC1 ZINC000900233733 591949971 /nfs/dbraw/zinc/94/99/71/591949971.db2.gz ZNVMJCHROAKONU-LPHOPBHVSA-N 2 1 346.475 1.389 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000900240005 591952025 /nfs/dbraw/zinc/95/20/25/591952025.db2.gz IDRWYDJZRWTKST-ROUUACIJSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000900240005 591952028 /nfs/dbraw/zinc/95/20/28/591952028.db2.gz IDRWYDJZRWTKST-ROUUACIJSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000900240005 591952029 /nfs/dbraw/zinc/95/20/29/591952029.db2.gz IDRWYDJZRWTKST-ROUUACIJSA-N 2 1 336.524 1.536 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000900227442 591955955 /nfs/dbraw/zinc/95/59/55/591955955.db2.gz QLEILOJFZCKEAL-ROUUACIJSA-N 2 1 335.492 1.574 20 0 EDADMP C[NH+]1CCC2(CC[N@H+]2C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000899911429 591979623 /nfs/dbraw/zinc/97/96/23/591979623.db2.gz UOSVFWWMAMCWRO-CQSZACIVSA-N 2 1 327.469 1.432 20 0 EDADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900333557 591987051 /nfs/dbraw/zinc/98/70/51/591987051.db2.gz BMJJOGNLGAAHAS-NOCIGQNYSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900333557 591987054 /nfs/dbraw/zinc/98/70/54/591987054.db2.gz BMJJOGNLGAAHAS-NOCIGQNYSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900333557 591987055 /nfs/dbraw/zinc/98/70/55/591987055.db2.gz BMJJOGNLGAAHAS-NOCIGQNYSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900333557 591987057 /nfs/dbraw/zinc/98/70/57/591987057.db2.gz BMJJOGNLGAAHAS-NOCIGQNYSA-N 2 1 331.460 1.393 20 0 EDADMP COc1cc2[nH+]c(N3C[C@@H]4CC[NH2+]C[C@@H]4C3)nc(N)c2cc1OC ZINC000900387524 591997590 /nfs/dbraw/zinc/99/75/90/591997590.db2.gz SGTZETQPDQEBIF-WDEREUQCSA-N 2 1 329.404 1.275 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000900410198 592010505 /nfs/dbraw/zinc/01/05/05/592010505.db2.gz QNFALINNEGHPSH-WWDZGPRUSA-N 2 1 337.508 1.724 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902796392 592064618 /nfs/dbraw/zinc/06/46/18/592064618.db2.gz NFUFJYHIFQKDPF-AEXBHSQCSA-N 2 1 335.492 1.332 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H](CC(C)C)[NH+](C)C)C1 ZINC000900684607 592093350 /nfs/dbraw/zinc/09/33/50/592093350.db2.gz RYXKQBJYXLAGBC-JKSUJKDBSA-N 2 1 341.496 1.354 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](CC(C)C)[NH+](C)C)C1 ZINC000900684607 592093353 /nfs/dbraw/zinc/09/33/53/592093353.db2.gz RYXKQBJYXLAGBC-JKSUJKDBSA-N 2 1 341.496 1.354 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCO[C@]34CCOC4)cc2)CC1 ZINC000903074213 592119773 /nfs/dbraw/zinc/11/97/73/592119773.db2.gz MWGAHBNLLFWPQZ-UXHICEINSA-N 2 1 345.487 1.472 20 0 EDADMP CCCn1cc([C@H](C)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000903110693 592121475 /nfs/dbraw/zinc/12/14/75/592121475.db2.gz BSZUROYPAKOKAI-XGAARHLOSA-N 2 1 335.496 1.818 20 0 EDADMP CCCn1cc([C@H](C)[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000903110693 592121476 /nfs/dbraw/zinc/12/14/76/592121476.db2.gz BSZUROYPAKOKAI-XGAARHLOSA-N 2 1 335.496 1.818 20 0 EDADMP CCCn1cc([C@H](C)[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000903110693 592121478 /nfs/dbraw/zinc/12/14/78/592121478.db2.gz BSZUROYPAKOKAI-XGAARHLOSA-N 2 1 335.496 1.818 20 0 EDADMP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)NC(=O)NCc1ccccc1 ZINC000903485060 592177705 /nfs/dbraw/zinc/17/77/05/592177705.db2.gz ZQLIAGYMEAATBR-MRXNPFEDSA-N 2 1 344.459 1.667 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903465986 592178485 /nfs/dbraw/zinc/17/84/85/592178485.db2.gz OPKPNAZFTZPAQH-INIZCTEOSA-N 2 1 327.428 1.937 20 0 EDADMP CCOc1ccc(OCC[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cc1 ZINC000903490923 592184435 /nfs/dbraw/zinc/18/44/35/592184435.db2.gz NDCFLIYMQGBJBD-KHYOSLBOSA-N 2 1 348.443 1.676 20 0 EDADMP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](C[C@@H](C[NH3+])c3ccc(OC)cc3)C[C@@H]21 ZINC000903563518 592211139 /nfs/dbraw/zinc/21/11/39/592211139.db2.gz GIPOAXLDGIQZPP-NRSFXHEJSA-N 2 1 332.444 1.869 20 0 EDADMP CN(C(=O)C[C@]1(O)CCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901074273 592224040 /nfs/dbraw/zinc/22/40/40/592224040.db2.gz FHOXEXDMJUAWFD-UYAOXDASSA-N 2 1 345.487 1.566 20 0 EDADMP CN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000901074273 592224042 /nfs/dbraw/zinc/22/40/42/592224042.db2.gz FHOXEXDMJUAWFD-UYAOXDASSA-N 2 1 345.487 1.566 20 0 EDADMP CN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000901074273 592224044 /nfs/dbraw/zinc/22/40/44/592224044.db2.gz FHOXEXDMJUAWFD-UYAOXDASSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340719 592234300 /nfs/dbraw/zinc/23/43/00/592234300.db2.gz CARDCAJAEONJEL-OFQRWUPVSA-N 2 1 337.489 1.957 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2CN(C)CC[NH+](C)C2)CC1 ZINC000906670515 592251552 /nfs/dbraw/zinc/25/15/52/592251552.db2.gz CRVYQCQQWAJXDL-UHFFFAOYSA-N 2 1 338.540 1.450 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906670515 592251555 /nfs/dbraw/zinc/25/15/55/592251555.db2.gz CRVYQCQQWAJXDL-UHFFFAOYSA-N 2 1 338.540 1.450 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906670515 592251558 /nfs/dbraw/zinc/25/15/58/592251558.db2.gz CRVYQCQQWAJXDL-UHFFFAOYSA-N 2 1 338.540 1.450 20 0 EDADMP C[C@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000901138855 592256007 /nfs/dbraw/zinc/25/60/07/592256007.db2.gz DDWAVIBAWPEFMN-BBRMVZONSA-N 2 1 330.432 1.740 20 0 EDADMP C[C@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000901138855 592256011 /nfs/dbraw/zinc/25/60/11/592256011.db2.gz DDWAVIBAWPEFMN-BBRMVZONSA-N 2 1 330.432 1.740 20 0 EDADMP [NH3+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000906679073 592259843 /nfs/dbraw/zinc/25/98/43/592259843.db2.gz SKDQJXOXVYHNKK-HOTGVXAUSA-N 2 1 330.432 1.217 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000906679548 592261149 /nfs/dbraw/zinc/26/11/49/592261149.db2.gz ULEOIWVMLRYOTM-OAHLLOKOSA-N 2 1 346.475 1.808 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccccc3C[NH3+])CC[C@H]21 ZINC000906658499 592268150 /nfs/dbraw/zinc/26/81/50/592268150.db2.gz INPAGLCYBJBJTP-GOEBONIOSA-N 2 1 330.432 1.027 20 0 EDADMP CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000901189208 592270188 /nfs/dbraw/zinc/27/01/88/592270188.db2.gz XFKOWUPCVQZMIJ-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901189208 592270191 /nfs/dbraw/zinc/27/01/91/592270191.db2.gz XFKOWUPCVQZMIJ-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000901189208 592270194 /nfs/dbraw/zinc/27/01/94/592270194.db2.gz XFKOWUPCVQZMIJ-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP [NH3+]CCOc1cccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000904501415 592272331 /nfs/dbraw/zinc/27/23/31/592272331.db2.gz YVKMEBVGASPCQV-IAGOWNOFSA-N 2 1 348.447 1.087 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000904530490 592280374 /nfs/dbraw/zinc/28/03/74/592280374.db2.gz NDQWCKONHRSBIX-XWTMOSNGSA-N 2 1 344.459 1.564 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000908034706 592281667 /nfs/dbraw/zinc/28/16/67/592281667.db2.gz GRRMZVKLJHJVNI-FGTMMUONSA-N 2 1 335.492 1.574 20 0 EDADMP CCN(CC)C(=O)N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903722897 592283979 /nfs/dbraw/zinc/28/39/79/592283979.db2.gz FDUVHDUQIACERS-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1 ZINC000904589350 592287987 /nfs/dbraw/zinc/28/79/87/592287987.db2.gz KKDMCMOVWATINC-UHFFFAOYSA-N 2 1 334.464 1.801 20 0 EDADMP Cc1cc(C)nc(N2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903751972 592295274 /nfs/dbraw/zinc/29/52/74/592295274.db2.gz KEKONDHLCCERPY-KRWDZBQOSA-N 2 1 345.491 1.374 20 0 EDADMP Cc1nc(CN2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)oc1C ZINC000903737690 592300187 /nfs/dbraw/zinc/30/01/87/592300187.db2.gz UZVIBGMIWUHRIQ-AEFFLSMTSA-N 2 1 334.464 1.178 20 0 EDADMP Cc1nc(CN2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cs1 ZINC000903738154 592300897 /nfs/dbraw/zinc/30/08/97/592300897.db2.gz YTAWGPGXQGMHBR-DLBZAZTESA-N 2 1 336.505 1.338 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903740251 592302051 /nfs/dbraw/zinc/30/20/51/592302051.db2.gz FGNJBKLRKXOZFO-KURKYZTESA-N 3 1 325.497 1.188 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2ccccc2C[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000904647456 592303045 /nfs/dbraw/zinc/30/30/45/592303045.db2.gz FCVWNLFKRXTLKO-YOEHRIQHSA-N 2 1 332.448 1.720 20 0 EDADMP Cc1cc(C)nc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000903761612 592308091 /nfs/dbraw/zinc/30/80/91/592308091.db2.gz XDEIZVBJTXWWDB-ZWKOTPCHSA-N 2 1 343.475 1.419 20 0 EDADMP Cc1cc(C)nc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000903761612 592308093 /nfs/dbraw/zinc/30/80/93/592308093.db2.gz XDEIZVBJTXWWDB-ZWKOTPCHSA-N 2 1 343.475 1.419 20 0 EDADMP O=C1[C@H]2C[N@@H+](C[C@H]3CCCC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000903767233 592309651 /nfs/dbraw/zinc/30/96/51/592309651.db2.gz FYCXHDBUNLOUHE-OKZBNKHCSA-N 2 1 341.455 1.493 20 0 EDADMP COc1ccc(NC(=O)CC[N@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903817731 592325527 /nfs/dbraw/zinc/32/55/27/592325527.db2.gz GALZSWVBFKOCBT-UHFFFAOYSA-N 2 1 347.459 1.868 20 0 EDADMP C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)C1(C[NH3+])CCOCC1 ZINC000903808795 592330104 /nfs/dbraw/zinc/33/01/04/592330104.db2.gz UMKMSYIZYUYLOY-UHFFFAOYSA-N 2 1 334.420 1.165 20 0 EDADMP C[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)C1(C[NH3+])CCOCC1 ZINC000903808795 592330108 /nfs/dbraw/zinc/33/01/08/592330108.db2.gz UMKMSYIZYUYLOY-UHFFFAOYSA-N 2 1 334.420 1.165 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903873187 592354430 /nfs/dbraw/zinc/35/44/30/592354430.db2.gz MCSOKFBIURFUEB-LAQRGFTBSA-N 2 1 348.491 1.652 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903873187 592354432 /nfs/dbraw/zinc/35/44/32/592354432.db2.gz MCSOKFBIURFUEB-LAQRGFTBSA-N 2 1 348.491 1.652 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)Cc2cnc(C(C)C)nc2)cnn1C ZINC000903910386 592374706 /nfs/dbraw/zinc/37/47/06/592374706.db2.gz MDDJVDQQCOXCNA-OAHLLOKOSA-N 2 1 330.480 1.891 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+](C)Cc2cnc(C(C)C)nc2)cnn1C ZINC000903910386 592374711 /nfs/dbraw/zinc/37/47/11/592374711.db2.gz MDDJVDQQCOXCNA-OAHLLOKOSA-N 2 1 330.480 1.891 20 0 EDADMP O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903913163 592376188 /nfs/dbraw/zinc/37/61/88/592376188.db2.gz AFQBPFORFYCUKP-CQSZACIVSA-N 2 1 341.377 1.833 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[NH2+]C[C@@H](c2ccccc2)N(C)C)cnn1C ZINC000903925284 592379917 /nfs/dbraw/zinc/37/99/17/592379917.db2.gz DHTWVPQJUYANAN-LPHOPBHVSA-N 2 1 329.492 1.738 20 0 EDADMP C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1NC(=O)C(F)(F)F ZINC000903933241 592384438 /nfs/dbraw/zinc/38/44/38/592384438.db2.gz MXCVAKJFZCSQOA-JWURUJNWSA-N 2 1 333.398 1.906 20 0 EDADMP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1NC(=O)C(F)(F)F ZINC000903933241 592384446 /nfs/dbraw/zinc/38/44/46/592384446.db2.gz MXCVAKJFZCSQOA-JWURUJNWSA-N 2 1 333.398 1.906 20 0 EDADMP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(c2nc(-c3cnccn3)no2)C1 ZINC000903954040 592396090 /nfs/dbraw/zinc/39/60/90/592396090.db2.gz ONVRIHYTRBHCJZ-SJCJKPOMSA-N 2 1 328.420 1.617 20 0 EDADMP CC(C)([NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(c2nc(-c3cnccn3)no2)C1 ZINC000903954040 592396094 /nfs/dbraw/zinc/39/60/94/592396094.db2.gz ONVRIHYTRBHCJZ-SJCJKPOMSA-N 2 1 328.420 1.617 20 0 EDADMP CCOc1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cc1OC ZINC000903978795 592400532 /nfs/dbraw/zinc/40/05/32/592400532.db2.gz MMEAFLGMYGYOJN-KHYOSLBOSA-N 2 1 348.443 1.806 20 0 EDADMP O[C@@H](CCC1(O)CCC1)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000905109521 592409867 /nfs/dbraw/zinc/40/98/67/592409867.db2.gz HGYYUHVYKGBGQW-DLBZAZTESA-N 2 1 326.481 1.276 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C2CN(C)CC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC000906972565 592444909 /nfs/dbraw/zinc/44/49/09/592444909.db2.gz OPZYZGMURIGBNP-APWZRJJASA-N 2 1 344.503 1.259 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C2CN(C)CC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000906972565 592444912 /nfs/dbraw/zinc/44/49/12/592444912.db2.gz OPZYZGMURIGBNP-APWZRJJASA-N 2 1 344.503 1.259 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000906972565 592444913 /nfs/dbraw/zinc/44/49/13/592444913.db2.gz OPZYZGMURIGBNP-APWZRJJASA-N 2 1 344.503 1.259 20 0 EDADMP C[C@]1(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905244005 592474721 /nfs/dbraw/zinc/47/47/21/592474721.db2.gz OEIZNTACRZHBOR-XUVXKRRUSA-N 2 1 348.487 1.391 20 0 EDADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905287881 592493212 /nfs/dbraw/zinc/49/32/12/592493212.db2.gz BJAVYUGULAVZGD-GUDVDZBRSA-N 2 1 348.487 1.389 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905287881 592493215 /nfs/dbraw/zinc/49/32/15/592493215.db2.gz BJAVYUGULAVZGD-GUDVDZBRSA-N 2 1 348.487 1.389 20 0 EDADMP CC[C@](O)(CNC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000905344480 592500836 /nfs/dbraw/zinc/50/08/36/592500836.db2.gz JGPNRDWLFXYIEN-CVEARBPZSA-N 2 1 346.393 1.699 20 0 EDADMP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905337887 592509828 /nfs/dbraw/zinc/50/98/28/592509828.db2.gz LTRWQXFDZKIIKK-HZPDHXFCSA-N 2 1 329.510 1.265 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905337887 592509830 /nfs/dbraw/zinc/50/98/30/592509830.db2.gz LTRWQXFDZKIIKK-HZPDHXFCSA-N 2 1 329.510 1.265 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1)C1CC1 ZINC000905472484 592544945 /nfs/dbraw/zinc/54/49/45/592544945.db2.gz FXHODJYBQWWLQP-IAGOWNOFSA-N 2 1 326.481 1.397 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1)C1CC1 ZINC000905472484 592544947 /nfs/dbraw/zinc/54/49/47/592544947.db2.gz FXHODJYBQWWLQP-IAGOWNOFSA-N 2 1 326.481 1.397 20 0 EDADMP CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000905496383 592553532 /nfs/dbraw/zinc/55/35/32/592553532.db2.gz SIFFGWKUSAKWPK-DZVNLGKHSA-N 2 1 328.497 1.233 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](CCC(=O)OC)[C@@H](C)C2)C1 ZINC000907213044 592565665 /nfs/dbraw/zinc/56/56/65/592565665.db2.gz AOAPIGJPFYSJRQ-HOTGVXAUSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CCC(=O)OC)[C@@H](C)C2)C1 ZINC000907213044 592565667 /nfs/dbraw/zinc/56/56/67/592565667.db2.gz AOAPIGJPFYSJRQ-HOTGVXAUSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@H+](CCC(=O)OC)[C@@H](C)C2)C1 ZINC000907213044 592565669 /nfs/dbraw/zinc/56/56/69/592565669.db2.gz AOAPIGJPFYSJRQ-HOTGVXAUSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@@H+](CCC(=O)OC)[C@@H](C)C2)C1 ZINC000907213044 592565670 /nfs/dbraw/zinc/56/56/70/592565670.db2.gz AOAPIGJPFYSJRQ-HOTGVXAUSA-N 2 1 339.480 1.204 20 0 EDADMP CCN1CCC[C@H](NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000905548991 592572230 /nfs/dbraw/zinc/57/22/30/592572230.db2.gz DSFPHVMWFNQJMR-MSOLQXFVSA-N 2 1 331.460 1.006 20 0 EDADMP CCN1CCC[C@H](NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1=O ZINC000905548991 592572231 /nfs/dbraw/zinc/57/22/31/592572231.db2.gz DSFPHVMWFNQJMR-MSOLQXFVSA-N 2 1 331.460 1.006 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000905550053 592572802 /nfs/dbraw/zinc/57/28/02/592572802.db2.gz CUIRMPDLBLPFGZ-GOSISDBHSA-N 2 1 348.487 1.391 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000905550053 592572804 /nfs/dbraw/zinc/57/28/04/592572804.db2.gz CUIRMPDLBLPFGZ-GOSISDBHSA-N 2 1 348.487 1.391 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)CNC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000905617936 592595287 /nfs/dbraw/zinc/59/52/87/592595287.db2.gz GTQOZHYJVSTLCK-PMACEKPBSA-N 2 1 347.503 1.322 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@@H](O)CNC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000905617936 592595289 /nfs/dbraw/zinc/59/52/89/592595289.db2.gz GTQOZHYJVSTLCK-PMACEKPBSA-N 2 1 347.503 1.322 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@@H](O)CNC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000905617936 592595290 /nfs/dbraw/zinc/59/52/90/592595290.db2.gz GTQOZHYJVSTLCK-PMACEKPBSA-N 2 1 347.503 1.322 20 0 EDADMP CN(C)c1nc(NCc2ccc(CN3CC[NH2+]CC3)cc2)cc[nH+]1 ZINC000905704087 592616816 /nfs/dbraw/zinc/61/68/16/592616816.db2.gz NLCMEGYHQLIZBO-UHFFFAOYSA-N 2 1 326.448 1.560 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000907397491 592626597 /nfs/dbraw/zinc/62/65/97/592626597.db2.gz BIZLHLFPDAIBTH-LPHOPBHVSA-N 2 1 344.503 1.117 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907397491 592626600 /nfs/dbraw/zinc/62/66/00/592626600.db2.gz BIZLHLFPDAIBTH-LPHOPBHVSA-N 2 1 344.503 1.117 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907397491 592626603 /nfs/dbraw/zinc/62/66/03/592626603.db2.gz BIZLHLFPDAIBTH-LPHOPBHVSA-N 2 1 344.503 1.117 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000909212607 592771230 /nfs/dbraw/zinc/77/12/30/592771230.db2.gz QCFDHHRPYGUIOW-ADKAHSJRSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000907755365 592778834 /nfs/dbraw/zinc/77/88/34/592778834.db2.gz IGUBUOXYTPEWCS-IAGOWNOFSA-N 2 1 325.497 1.726 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000907755365 592778837 /nfs/dbraw/zinc/77/88/37/592778837.db2.gz IGUBUOXYTPEWCS-IAGOWNOFSA-N 2 1 325.497 1.726 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000907755365 592778838 /nfs/dbraw/zinc/77/88/38/592778838.db2.gz IGUBUOXYTPEWCS-IAGOWNOFSA-N 2 1 325.497 1.726 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000910265463 592813388 /nfs/dbraw/zinc/81/33/88/592813388.db2.gz HNYOMSPFGMLCTB-NXHRZFHOSA-N 2 1 337.508 1.676 20 0 EDADMP CC[N@H+]1CCCN(C(=O)C2(CCOC)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000910266390 592813687 /nfs/dbraw/zinc/81/36/87/592813687.db2.gz MNLFHAVIJGIMAH-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CC[N@H+]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000910281012 592819276 /nfs/dbraw/zinc/81/92/76/592819276.db2.gz GTIQCLIZMNBSGZ-KRWDZBQOSA-N 2 1 337.508 1.964 20 0 EDADMP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC3(CC[NH+]3Cc3ccccc3)C2)C1 ZINC000910779104 592893677 /nfs/dbraw/zinc/89/36/77/592893677.db2.gz XLPFTRGOEOWRNK-FQEVSTJZSA-N 2 1 343.471 1.320 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CC3(CC[NH+]3Cc3ccccc3)C2)C1 ZINC000910779104 592893678 /nfs/dbraw/zinc/89/36/78/592893678.db2.gz XLPFTRGOEOWRNK-FQEVSTJZSA-N 2 1 343.471 1.320 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000910779104 592893679 /nfs/dbraw/zinc/89/36/79/592893679.db2.gz XLPFTRGOEOWRNK-FQEVSTJZSA-N 2 1 343.471 1.320 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)C1 ZINC000910779104 592893680 /nfs/dbraw/zinc/89/36/80/592893680.db2.gz XLPFTRGOEOWRNK-FQEVSTJZSA-N 2 1 343.471 1.320 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000911880449 593030112 /nfs/dbraw/zinc/03/01/12/593030112.db2.gz VWALUQMXQOSCSP-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000911880449 593030114 /nfs/dbraw/zinc/03/01/14/593030114.db2.gz VWALUQMXQOSCSP-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP Cc1cc(C)c(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(=O)[nH]1 ZINC000912303475 593084161 /nfs/dbraw/zinc/08/41/61/593084161.db2.gz JFEXMNYBNISUHI-HNNXBMFYSA-N 2 1 336.480 1.335 20 0 EDADMP Cc1cc(C)c(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(=O)[nH]1 ZINC000912303475 593084162 /nfs/dbraw/zinc/08/41/62/593084162.db2.gz JFEXMNYBNISUHI-HNNXBMFYSA-N 2 1 336.480 1.335 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2[nH]c(CO)nc21 ZINC000912304405 593085274 /nfs/dbraw/zinc/08/52/74/593085274.db2.gz PHHXRGKXLLEIOO-ZDUSSCGKSA-N 2 1 347.463 1.057 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2[nH]c(CO)nc21 ZINC000912304405 593085275 /nfs/dbraw/zinc/08/52/75/593085275.db2.gz PHHXRGKXLLEIOO-ZDUSSCGKSA-N 2 1 347.463 1.057 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000838905252 593229850 /nfs/dbraw/zinc/22/98/50/593229850.db2.gz QPIZXVNYAPSZTN-VBQJREDUSA-N 2 1 328.428 1.605 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000838905252 593229852 /nfs/dbraw/zinc/22/98/52/593229852.db2.gz QPIZXVNYAPSZTN-VBQJREDUSA-N 2 1 328.428 1.605 20 0 EDADMP O[C@@H](CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000839536617 593336675 /nfs/dbraw/zinc/33/66/75/593336675.db2.gz OLHZDTHGCUAMFD-SFHVURJKSA-N 2 1 334.460 1.269 20 0 EDADMP Cc1ccc(N2C(=O)C[C@H]([N@@H+](C)CC3CC[NH+](C)CC3)C2=O)cc1 ZINC000103500554 593343813 /nfs/dbraw/zinc/34/38/13/593343813.db2.gz LADCBKYFDPMJHL-KRWDZBQOSA-N 2 1 329.444 1.901 20 0 EDADMP C[C@@H](C[NH2+]Cc1ncc(C2OCCO2)s1)CN1CC[NH+](C)CC1 ZINC000809615959 593349947 /nfs/dbraw/zinc/34/99/47/593349947.db2.gz NZGKNSABDHEGMK-ZDUSSCGKSA-N 2 1 340.493 1.162 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000810358889 593395474 /nfs/dbraw/zinc/39/54/74/593395474.db2.gz POHGMRYGRNVHKD-RVKKMQEKSA-N 2 1 341.471 1.257 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000810358889 593395478 /nfs/dbraw/zinc/39/54/78/593395478.db2.gz POHGMRYGRNVHKD-RVKKMQEKSA-N 2 1 341.471 1.257 20 0 EDADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000813322896 593526008 /nfs/dbraw/zinc/52/60/08/593526008.db2.gz INVDEWABVBBSRY-QAPCUYQASA-N 2 1 331.460 1.666 20 0 EDADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623439 593884703 /nfs/dbraw/zinc/88/47/03/593884703.db2.gz LILCJQGEKDXPGT-GOEBONIOSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623439 593884705 /nfs/dbraw/zinc/88/47/05/593884705.db2.gz LILCJQGEKDXPGT-GOEBONIOSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623439 593884706 /nfs/dbraw/zinc/88/47/06/593884706.db2.gz LILCJQGEKDXPGT-GOEBONIOSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623439 593884708 /nfs/dbraw/zinc/88/47/08/593884708.db2.gz LILCJQGEKDXPGT-GOEBONIOSA-N 2 1 330.411 1.922 20 0 EDADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(-n2cnnc2)c1 ZINC000820807243 593894489 /nfs/dbraw/zinc/89/44/89/593894489.db2.gz DLFRABJXEQNXPJ-HNNXBMFYSA-N 2 1 329.448 1.765 20 0 EDADMP CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820829310 593899620 /nfs/dbraw/zinc/89/96/20/593899620.db2.gz HQQBMGKPCYMSKA-YPAMNDHTSA-N 2 1 327.494 1.158 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821253747 593997949 /nfs/dbraw/zinc/99/79/49/593997949.db2.gz HZILVQHTUDLUIL-YOEHRIQHSA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821253747 593997951 /nfs/dbraw/zinc/99/79/51/593997951.db2.gz HZILVQHTUDLUIL-YOEHRIQHSA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821253747 593997953 /nfs/dbraw/zinc/99/79/53/593997953.db2.gz HZILVQHTUDLUIL-YOEHRIQHSA-N 2 1 344.463 1.908 20 0 EDADMP Cc1ccc2c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cnn2c1C ZINC000824826858 594080822 /nfs/dbraw/zinc/08/08/22/594080822.db2.gz RVGCYFKSCFDQBU-HNNXBMFYSA-N 2 1 345.491 1.953 20 0 EDADMP Cc1ccc2c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cnn2c1C ZINC000824826858 594080823 /nfs/dbraw/zinc/08/08/23/594080823.db2.gz RVGCYFKSCFDQBU-HNNXBMFYSA-N 2 1 345.491 1.953 20 0 EDADMP Fc1ccc(-c2nn[nH]n2)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000822758375 594096690 /nfs/dbraw/zinc/09/66/90/594096690.db2.gz NDOQNZJYEBUUCN-UHFFFAOYSA-N 2 1 339.378 1.723 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCCCCCC[NH3+])C[C@@H](C)O1 ZINC000831264186 594594431 /nfs/dbraw/zinc/59/44/31/594594431.db2.gz WSGWCWMCTBFOKW-BRWVUGGUSA-N 2 1 340.512 1.789 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCCCCCC[NH3+])C[C@H](C)O1 ZINC000831264187 594594707 /nfs/dbraw/zinc/59/47/07/594594707.db2.gz WSGWCWMCTBFOKW-IXDOHACOSA-N 2 1 340.512 1.789 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCCCCCC[NH3+])C[C@H](C)O1 ZINC000831264187 594594708 /nfs/dbraw/zinc/59/47/08/594594708.db2.gz WSGWCWMCTBFOKW-IXDOHACOSA-N 2 1 340.512 1.789 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=S)NCC(C)(C)C[NH+](C)C)[C@H]2C1 ZINC000840754235 594814545 /nfs/dbraw/zinc/81/45/45/594814545.db2.gz CDTDWICFCNJRQN-LSDHHAIUSA-N 2 1 342.553 1.244 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000841326291 594885506 /nfs/dbraw/zinc/88/55/06/594885506.db2.gz UVAAPAXUTSHJCT-KGLIPLIRSA-N 2 1 348.422 1.456 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000841727535 594944006 /nfs/dbraw/zinc/94/40/06/594944006.db2.gz UNKGNJZXOKPERU-HOCLYGCPSA-N 2 1 342.447 1.892 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841749152 594947568 /nfs/dbraw/zinc/94/75/68/594947568.db2.gz ATUWYHBMRAGOAF-OTWHNJEPSA-N 2 1 342.487 1.902 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCC1 ZINC000841966532 594991358 /nfs/dbraw/zinc/99/13/58/594991358.db2.gz FFHBIXQGHMBRKU-LJQANCHMSA-N 2 1 346.475 1.146 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc(C[C@H]4CCC[NH2+]4)n3)cn2)CC1 ZINC000843198639 595030069 /nfs/dbraw/zinc/03/00/69/595030069.db2.gz MZIZOVYTIIZHPR-CQSZACIVSA-N 2 1 328.420 1.178 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc(C4CC[NH2+]CC4)n3)cn2)CC1 ZINC000843199569 595031299 /nfs/dbraw/zinc/03/12/99/595031299.db2.gz XMWSAOUBACUAPY-UHFFFAOYSA-N 2 1 328.420 1.350 20 0 EDADMP COCCOc1ccc(CNC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843354657 595085738 /nfs/dbraw/zinc/08/57/38/595085738.db2.gz AOIHRIMMKFWMIZ-UHFFFAOYSA-N 2 1 349.475 1.530 20 0 EDADMP CCCCOC(=O)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843362974 595087742 /nfs/dbraw/zinc/08/77/42/595087742.db2.gz WASJHOARYJXVRB-CVEARBPZSA-N 2 1 339.480 1.300 20 0 EDADMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843386493 595096798 /nfs/dbraw/zinc/09/67/98/595096798.db2.gz JMGNVXOGZBWXHN-CYBMUJFWSA-N 2 1 343.431 1.529 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CC[C@]4(CCC[NH2+]4)C3)CC2)[nH+]c1 ZINC000842513467 595124373 /nfs/dbraw/zinc/12/43/73/595124373.db2.gz QJYAHFRPFVZDHU-LJQANCHMSA-N 2 1 328.460 1.961 20 0 EDADMP Cn1cncc1[C@H]1CC(=O)N(C[N@@H+](C)C[C@](C)(O)c2ccccc2)C1 ZINC000842624776 595148215 /nfs/dbraw/zinc/14/82/15/595148215.db2.gz KMDNCTIMWXFTLD-KXBFYZLASA-N 2 1 342.443 1.533 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000844189920 595297412 /nfs/dbraw/zinc/29/74/12/595297412.db2.gz VFNNETVBXUDHQJ-NJAFHUGGSA-N 2 1 331.460 1.534 20 0 EDADMP CC[N@@H+](CCCNC(=O)CO[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000846687083 595301962 /nfs/dbraw/zinc/30/19/62/595301962.db2.gz BSUGYFLADKGJCO-QGZVFWFLSA-N 2 1 325.497 1.916 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846708892 595304938 /nfs/dbraw/zinc/30/49/38/595304938.db2.gz XLGUHUMVWXOFIU-HZPDHXFCSA-N 2 1 346.475 1.663 20 0 EDADMP CO[C@@H](C)C[N@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844709645 595380382 /nfs/dbraw/zinc/38/03/82/595380382.db2.gz SSNMZKBSCCURKR-WDSOQIARSA-N 2 1 345.487 1.891 20 0 EDADMP CO[C@@H](C)C[N@@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844709645 595380383 /nfs/dbraw/zinc/38/03/83/595380383.db2.gz SSNMZKBSCCURKR-WDSOQIARSA-N 2 1 345.487 1.891 20 0 EDADMP CO[C@@H](C)C[NH+](C)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844709645 595380384 /nfs/dbraw/zinc/38/03/84/595380384.db2.gz SSNMZKBSCCURKR-WDSOQIARSA-N 2 1 345.487 1.891 20 0 EDADMP CO[C@@H](C)C[NH+](C)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844709645 595380385 /nfs/dbraw/zinc/38/03/85/595380385.db2.gz SSNMZKBSCCURKR-WDSOQIARSA-N 2 1 345.487 1.891 20 0 EDADMP C[NH+](C)C1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCCCC1 ZINC000849053285 595475691 /nfs/dbraw/zinc/47/56/91/595475691.db2.gz UJUQTYPVCUJCOX-UHFFFAOYSA-N 3 1 325.501 1.087 20 0 EDADMP C[C@@H](CCO)C1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCC1 ZINC000849076479 595478658 /nfs/dbraw/zinc/47/86/58/595478658.db2.gz MUJXQHXGZAQGEE-HNNXBMFYSA-N 2 1 326.485 1.011 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)s1 ZINC000849088364 595479985 /nfs/dbraw/zinc/47/99/85/595479985.db2.gz GTMVFIOMPNXKGQ-NSHDSACASA-N 2 1 344.506 1.250 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[NH+](C)C1CC1 ZINC000849514626 595555174 /nfs/dbraw/zinc/55/51/74/595555174.db2.gz CSHLJLXKBSMATG-KBRIMQKVSA-N 2 1 333.480 1.054 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)[N@H+](C)C1CC1 ZINC000849514626 595555177 /nfs/dbraw/zinc/55/51/77/595555177.db2.gz CSHLJLXKBSMATG-KBRIMQKVSA-N 2 1 333.480 1.054 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)[N@@H+](C)C1CC1 ZINC000849514626 595555179 /nfs/dbraw/zinc/55/51/79/595555179.db2.gz CSHLJLXKBSMATG-KBRIMQKVSA-N 2 1 333.480 1.054 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000849520689 595557077 /nfs/dbraw/zinc/55/70/77/595557077.db2.gz OFYANHACQCBSHM-DLBZAZTESA-N 2 1 333.480 1.056 20 0 EDADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000849520689 595557079 /nfs/dbraw/zinc/55/70/79/595557079.db2.gz OFYANHACQCBSHM-DLBZAZTESA-N 2 1 333.480 1.056 20 0 EDADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000849520689 595557080 /nfs/dbraw/zinc/55/70/80/595557080.db2.gz OFYANHACQCBSHM-DLBZAZTESA-N 2 1 333.480 1.056 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2C)[C@H](c2cnn(C)c2)C1 ZINC000849540940 595559152 /nfs/dbraw/zinc/55/91/52/595559152.db2.gz JWECRIAHAARKOT-BZSNNMDCSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)[C@H](c2cnn(C)c2)C1 ZINC000849540940 595559157 /nfs/dbraw/zinc/55/91/57/595559157.db2.gz JWECRIAHAARKOT-BZSNNMDCSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2C)[C@H](c2cnn(C)c2)C1 ZINC000849540940 595559162 /nfs/dbraw/zinc/55/91/62/595559162.db2.gz JWECRIAHAARKOT-BZSNNMDCSA-N 2 1 347.507 1.444 20 0 EDADMP c1[nH]nc2c1CCC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000857851295 595632771 /nfs/dbraw/zinc/63/27/71/595632771.db2.gz LZNMDZFCXLHBRF-SFHVURJKSA-N 2 1 340.475 1.984 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCn1cnc(Br)n1 ZINC000851861217 595951761 /nfs/dbraw/zinc/95/17/61/595951761.db2.gz SOHVYHLHHFJMDQ-UHFFFAOYSA-N 2 1 327.230 1.568 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCn1cnc(Br)n1 ZINC000851861217 595951764 /nfs/dbraw/zinc/95/17/64/595951764.db2.gz SOHVYHLHHFJMDQ-UHFFFAOYSA-N 2 1 327.230 1.568 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)C(=O)NC3CC3)C2)ccn1 ZINC000856592656 596027043 /nfs/dbraw/zinc/02/70/43/596027043.db2.gz IRZLVVSUJHVHGD-RDTXWAMCSA-N 2 1 346.475 1.654 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)C(=O)NC3CC3)C2)ccn1 ZINC000856592656 596027046 /nfs/dbraw/zinc/02/70/46/596027046.db2.gz IRZLVVSUJHVHGD-RDTXWAMCSA-N 2 1 346.475 1.654 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)ccn1 ZINC000856592656 596027050 /nfs/dbraw/zinc/02/70/50/596027050.db2.gz IRZLVVSUJHVHGD-RDTXWAMCSA-N 2 1 346.475 1.654 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)ccn1 ZINC000856592656 596027054 /nfs/dbraw/zinc/02/70/54/596027054.db2.gz IRZLVVSUJHVHGD-RDTXWAMCSA-N 2 1 346.475 1.654 20 0 EDADMP C[C@]1(CNC(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000861629997 596051779 /nfs/dbraw/zinc/05/17/79/596051779.db2.gz NNAYJHOXRVJZEJ-PKOBYXMFSA-N 2 1 346.475 1.186 20 0 EDADMP Cn1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(Cl)n1 ZINC000857039022 596146419 /nfs/dbraw/zinc/14/64/19/596146419.db2.gz KRKMFQDCYBHSKT-UHFFFAOYSA-N 2 1 339.915 1.923 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857101545 596157972 /nfs/dbraw/zinc/15/79/72/596157972.db2.gz WZNNIALXGQUAIP-SFHVURJKSA-N 2 1 333.476 1.804 20 0 EDADMP COCC[NH+](C)CCNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857101545 596157975 /nfs/dbraw/zinc/15/79/75/596157975.db2.gz WZNNIALXGQUAIP-SFHVURJKSA-N 2 1 333.476 1.804 20 0 EDADMP COCC[NH+](C)CCNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857101545 596157978 /nfs/dbraw/zinc/15/79/78/596157978.db2.gz WZNNIALXGQUAIP-SFHVURJKSA-N 2 1 333.476 1.804 20 0 EDADMP CSC1(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC[NH+](C)CC1 ZINC000868626629 596251359 /nfs/dbraw/zinc/25/13/59/596251359.db2.gz KKJIEKNDWLDNPW-LSDHHAIUSA-N 2 1 340.537 1.549 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)[C@H](C)C1 ZINC000866570472 596254291 /nfs/dbraw/zinc/25/42/91/596254291.db2.gz MEFDQDIYPUPSCH-CABCVRRESA-N 2 1 349.541 1.028 20 0 EDADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000866659250 596283849 /nfs/dbraw/zinc/28/38/49/596283849.db2.gz JGFJCNNLZULKCC-CQSZACIVSA-N 2 1 338.883 1.812 20 0 EDADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000866659250 596283852 /nfs/dbraw/zinc/28/38/52/596283852.db2.gz JGFJCNNLZULKCC-CQSZACIVSA-N 2 1 338.883 1.812 20 0 EDADMP c1c(C[NH2+][C@@H]2CCCc3ccccc32)nnn1C[C@@H]1C[NH2+]CCO1 ZINC000864650604 596297244 /nfs/dbraw/zinc/29/72/44/596297244.db2.gz DUMALGGRAAFQPX-FUHWJXTLSA-N 2 1 327.432 1.434 20 0 EDADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866709886 596304322 /nfs/dbraw/zinc/30/43/22/596304322.db2.gz MOVULMPIOMUKOM-NXHRZFHOSA-N 2 1 345.443 1.841 20 0 EDADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709884 596304424 /nfs/dbraw/zinc/30/44/24/596304424.db2.gz MOGQHJXBUACVIB-NUJGCVRESA-N 2 1 345.443 1.631 20 0 EDADMP O=C(CC[NH2+]CC1CC1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000870871435 596384661 /nfs/dbraw/zinc/38/46/61/596384661.db2.gz YJDTVLFHIYCQSE-UHFFFAOYSA-N 2 1 331.460 1.890 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NC[C@H]2CCCC[NH+](C)C2)cn1 ZINC000862795823 596414593 /nfs/dbraw/zinc/41/45/93/596414593.db2.gz MFIDGMONDGUCAE-NXHRZFHOSA-N 2 1 347.507 1.304 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@H]2C(=O)NC[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000862795823 596414596 /nfs/dbraw/zinc/41/45/96/596414596.db2.gz MFIDGMONDGUCAE-NXHRZFHOSA-N 2 1 347.507 1.304 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@H]2C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000862795823 596414598 /nfs/dbraw/zinc/41/45/98/596414598.db2.gz MFIDGMONDGUCAE-NXHRZFHOSA-N 2 1 347.507 1.304 20 0 EDADMP CC(C)[C@@H](C[NH2+]Cc1cc2c(cc[nH]c2=O)o1)N1CC[NH+](C)CC1 ZINC000865411390 596566429 /nfs/dbraw/zinc/56/64/29/596566429.db2.gz WFWCZMFBOJBCHX-MRXNPFEDSA-N 2 1 332.448 1.895 20 0 EDADMP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+](C)CCOCC[NH3+] ZINC000863554811 596616856 /nfs/dbraw/zinc/61/68/56/596616856.db2.gz ISFCMTLFJPOXIF-MRXNPFEDSA-N 2 1 348.491 1.911 20 0 EDADMP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000863554811 596616859 /nfs/dbraw/zinc/61/68/59/596616859.db2.gz ISFCMTLFJPOXIF-MRXNPFEDSA-N 2 1 348.491 1.911 20 0 EDADMP [NH3+]CCOCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000863561559 596619125 /nfs/dbraw/zinc/61/91/25/596619125.db2.gz DGVWJBTTYIQJJQ-ZIAGYGMSSA-N 2 1 329.238 1.532 20 0 EDADMP [NH3+]CCOCC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000863561559 596619128 /nfs/dbraw/zinc/61/91/28/596619128.db2.gz DGVWJBTTYIQJJQ-ZIAGYGMSSA-N 2 1 329.238 1.532 20 0 EDADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H](O)C1 ZINC000865748290 596669231 /nfs/dbraw/zinc/66/92/31/596669231.db2.gz SOVLXHXHKMGTCB-UGUYLWEFSA-N 2 1 339.480 1.573 20 0 EDADMP C[NH+]1CCC2(CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)CC1 ZINC000866055137 596773460 /nfs/dbraw/zinc/77/34/60/596773460.db2.gz OZPXBBWJKRRCQT-UHFFFAOYSA-N 2 1 331.464 1.625 20 0 EDADMP COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000872252573 596854726 /nfs/dbraw/zinc/85/47/26/596854726.db2.gz TXYLJZQAVKXZOI-QWQRMKEZSA-N 2 1 338.448 1.172 20 0 EDADMP COC/C=C/C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000866408684 596878659 /nfs/dbraw/zinc/87/86/59/596878659.db2.gz NOKLVPWFLHPWSZ-SNAWJCMRSA-N 2 1 337.508 1.844 20 0 EDADMP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000876772373 597333844 /nfs/dbraw/zinc/33/38/44/597333844.db2.gz BHQPLDAXPSHQGK-LBPRGKRZSA-N 2 1 336.505 1.990 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)/C=C/[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000876781617 597338589 /nfs/dbraw/zinc/33/85/89/597338589.db2.gz PRHXOZWYHHUTNZ-NADMHLTPSA-N 2 1 342.487 1.928 20 0 EDADMP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C[NH+]2CCCC2)cc1 ZINC000873745174 597374408 /nfs/dbraw/zinc/37/44/08/597374408.db2.gz WBYDWOUBZVGJHB-UHFFFAOYSA-N 2 1 346.475 1.793 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000877230092 597469917 /nfs/dbraw/zinc/46/99/17/597469917.db2.gz WYPDTRBWMFHXKR-JQHSSLGASA-N 2 1 349.450 1.260 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000877230092 597469919 /nfs/dbraw/zinc/46/99/19/597469919.db2.gz WYPDTRBWMFHXKR-JQHSSLGASA-N 2 1 349.450 1.260 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000877231568 597470777 /nfs/dbraw/zinc/47/07/77/597470777.db2.gz OIBMEPNZCFUCPD-DLBZAZTESA-N 2 1 333.476 1.685 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285336 597486839 /nfs/dbraw/zinc/48/68/39/597486839.db2.gz ZLZZZSBKXFLXLI-SQNIBIBYSA-N 2 1 328.460 1.647 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000877528716 597531051 /nfs/dbraw/zinc/53/10/51/597531051.db2.gz IUBAOABENHNVSF-INIZCTEOSA-N 2 1 337.489 1.498 20 0 EDADMP C[NH+](C)CCCC1CC[NH+](Cc2nc3c(c(=O)[nH]2)COCC3)CC1 ZINC000878329294 597595893 /nfs/dbraw/zinc/59/58/93/597595893.db2.gz WWQLISYEORWCNT-UHFFFAOYSA-N 2 1 334.464 1.809 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883400564 597732130 /nfs/dbraw/zinc/73/21/30/597732130.db2.gz PSVGXTFGZRKMCL-QGZVFWFLSA-N 2 1 340.512 1.661 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C2)CC1 ZINC000878867821 597739385 /nfs/dbraw/zinc/73/93/85/597739385.db2.gz WZJWZASYJGGGCC-UHFFFAOYSA-N 2 1 343.431 1.625 20 0 EDADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[C@@H](O)Cn1cccn1)C2 ZINC000880021051 597812368 /nfs/dbraw/zinc/81/23/68/597812368.db2.gz WTDQDILFNLLJPG-AQNXPRMDSA-N 2 1 340.471 1.698 20 0 EDADMP C[C@]12C[NH+](C[C@@H](O)Cn3cccn3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880021051 597812371 /nfs/dbraw/zinc/81/23/71/597812371.db2.gz WTDQDILFNLLJPG-AQNXPRMDSA-N 2 1 340.471 1.698 20 0 EDADMP C[C@]12C[NH+](C[C@@H](O)Cn3cccn3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880021051 597812372 /nfs/dbraw/zinc/81/23/72/597812372.db2.gz WTDQDILFNLLJPG-AQNXPRMDSA-N 2 1 340.471 1.698 20 0 EDADMP [NH3+]C1(CNC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CCC1 ZINC000883586042 597814191 /nfs/dbraw/zinc/81/41/91/597814191.db2.gz DHAZYOMTFCVYOC-KRWDZBQOSA-N 2 1 343.475 1.974 20 0 EDADMP COCC[N@@H+](C[C@@H](O)CC1(O)CCCC1)CC1CC[NH+](C)CC1 ZINC000879125525 597826840 /nfs/dbraw/zinc/82/68/40/597826840.db2.gz DGNGZNIVFJDDNV-KRWDZBQOSA-N 2 1 328.497 1.333 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000883616807 597831000 /nfs/dbraw/zinc/83/10/00/597831000.db2.gz TXAJBRNMHITSKY-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000883616807 597831002 /nfs/dbraw/zinc/83/10/02/597831002.db2.gz TXAJBRNMHITSKY-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883616807 597831004 /nfs/dbraw/zinc/83/10/04/597831004.db2.gz TXAJBRNMHITSKY-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP CC1([NH+]2CCC2)CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000880473766 597940480 /nfs/dbraw/zinc/94/04/80/597940480.db2.gz NOCLKKBWTWMUSE-UHFFFAOYSA-N 2 1 337.489 1.437 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(N3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000882391922 597954677 /nfs/dbraw/zinc/95/46/77/597954677.db2.gz HLZMHPQYTZIRAK-QZTJIDSGSA-N 2 1 344.459 1.240 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(N3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000882391922 597954679 /nfs/dbraw/zinc/95/46/79/597954679.db2.gz HLZMHPQYTZIRAK-QZTJIDSGSA-N 2 1 344.459 1.240 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000882391922 597954682 /nfs/dbraw/zinc/95/46/82/597954682.db2.gz HLZMHPQYTZIRAK-QZTJIDSGSA-N 2 1 344.459 1.240 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000882391922 597954685 /nfs/dbraw/zinc/95/46/85/597954685.db2.gz HLZMHPQYTZIRAK-QZTJIDSGSA-N 2 1 344.459 1.240 20 0 EDADMP [NH3+][C@H](C(=O)NCCCN1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000884005902 597966832 /nfs/dbraw/zinc/96/68/32/597966832.db2.gz YZPDPDXBRAJJFN-AWEZNQCLSA-N 2 1 344.381 1.117 20 0 EDADMP COCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000884185862 598018625 /nfs/dbraw/zinc/01/86/25/598018625.db2.gz JULPTLXQASQXKM-YJBOKZPZSA-N 2 1 333.476 1.899 20 0 EDADMP C[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CCN1c1cc[nH+]cc1 ZINC000882821153 598070324 /nfs/dbraw/zinc/07/03/24/598070324.db2.gz MUJMTVAVINJSCP-OAHLLOKOSA-N 2 1 340.431 1.423 20 0 EDADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001015723871 696711177 /nfs/dbraw/zinc/71/11/77/696711177.db2.gz XSGLBMNAOWUISD-QJPTWQEYSA-N 2 1 330.354 1.667 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000914190024 695266166 /nfs/dbraw/zinc/26/61/66/695266166.db2.gz HBTRBFJSJMHMRN-HNNXBMFYSA-N 2 1 330.476 1.827 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000914219623 695283345 /nfs/dbraw/zinc/28/33/45/695283345.db2.gz YQJOUVPWDJLNEY-ZJIFWQFVSA-N 2 1 338.521 1.492 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914219623 695283347 /nfs/dbraw/zinc/28/33/47/695283347.db2.gz YQJOUVPWDJLNEY-ZJIFWQFVSA-N 2 1 338.521 1.492 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000914411088 695392424 /nfs/dbraw/zinc/39/24/24/695392424.db2.gz DMMNKNCCUKCMOA-GDBMZVCRSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993505246 696184370 /nfs/dbraw/zinc/18/43/70/696184370.db2.gz UBNVHILIPFOBFG-RHSMWYFYSA-N 2 1 330.432 1.872 20 0 EDADMP C[C@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@H+]1CCn1cccn1 ZINC000993527437 696206234 /nfs/dbraw/zinc/20/62/34/696206234.db2.gz JBJVRGDFROHQTA-DLBZAZTESA-N 2 1 345.491 1.481 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)on1 ZINC000993760793 696353047 /nfs/dbraw/zinc/35/30/47/696353047.db2.gz NRYXEOOOACGFLZ-PBHICJAKSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)on1 ZINC000993760793 696353049 /nfs/dbraw/zinc/35/30/49/696353049.db2.gz NRYXEOOOACGFLZ-PBHICJAKSA-N 2 1 334.464 1.794 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccnn1C ZINC000993765720 696362784 /nfs/dbraw/zinc/36/27/84/696362784.db2.gz VKSQJUPJBPQQRZ-RHSMWYFYSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccnn1C ZINC000993765720 696362787 /nfs/dbraw/zinc/36/27/87/696362787.db2.gz VKSQJUPJBPQQRZ-RHSMWYFYSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCC[N@H+]1CCCF ZINC000993984833 696482086 /nfs/dbraw/zinc/48/20/86/696482086.db2.gz JIBKBADJRMQDQT-GDBMZVCRSA-N 2 1 339.459 1.387 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCC[N@H+]1CC1CCC1 ZINC000993990145 696484187 /nfs/dbraw/zinc/48/41/87/696484187.db2.gz QUSMHSAQTKOZLB-CRAIPNDOSA-N 2 1 347.507 1.828 20 0 EDADMP O=C(NCc1cn2c(n1)CCCC2)N[C@H]1CCCN2CCSC[C@H]12 ZINC000916341990 696653166 /nfs/dbraw/zinc/65/31/66/696653166.db2.gz OJFZVQLOTCBQBD-LSDHHAIUSA-N 2 1 349.504 1.598 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCOC2CCC2)[C@@H]1C ZINC000994429373 696857091 /nfs/dbraw/zinc/85/70/91/696857091.db2.gz YLQYVAZFVGEQTO-RHSMWYFYSA-N 2 1 334.464 1.730 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCOC2CCC2)[C@@H]1C ZINC000994429373 696857095 /nfs/dbraw/zinc/85/70/95/696857095.db2.gz YLQYVAZFVGEQTO-RHSMWYFYSA-N 2 1 334.464 1.730 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000444350665 696880563 /nfs/dbraw/zinc/88/05/63/696880563.db2.gz HXLOWKOABVITJJ-WBVHZDCISA-N 2 1 325.497 1.553 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH+](C)C[C@@H](C)O)CC1 ZINC000444350665 696880566 /nfs/dbraw/zinc/88/05/66/696880566.db2.gz HXLOWKOABVITJJ-WBVHZDCISA-N 2 1 325.497 1.553 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH+](C)C[C@@H](C)O)CC1 ZINC000444350665 696880569 /nfs/dbraw/zinc/88/05/69/696880569.db2.gz HXLOWKOABVITJJ-WBVHZDCISA-N 2 1 325.497 1.553 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCNc1cccc(C)[nH+]1 ZINC000917828344 697088758 /nfs/dbraw/zinc/08/87/58/697088758.db2.gz CZIKAOMENFTJHY-OAHLLOKOSA-N 2 1 335.452 1.212 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCNc1cccc(C)[nH+]1 ZINC000917828344 697088761 /nfs/dbraw/zinc/08/87/61/697088761.db2.gz CZIKAOMENFTJHY-OAHLLOKOSA-N 2 1 335.452 1.212 20 0 EDADMP CCc1ccccc1CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031596112 697296371 /nfs/dbraw/zinc/29/63/71/697296371.db2.gz GPRDXBPJHVOUHE-IBGZPJMESA-N 2 1 345.487 1.170 20 0 EDADMP CCc1ccccc1CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031596112 697296372 /nfs/dbraw/zinc/29/63/72/697296372.db2.gz GPRDXBPJHVOUHE-IBGZPJMESA-N 2 1 345.487 1.170 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668305 697460110 /nfs/dbraw/zinc/46/01/10/697460110.db2.gz DAWDKNWNPDSKGH-DOTOQJQBSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668305 697460113 /nfs/dbraw/zinc/46/01/13/697460113.db2.gz DAWDKNWNPDSKGH-DOTOQJQBSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668310 697460130 /nfs/dbraw/zinc/46/01/30/697460130.db2.gz DAWDKNWNPDSKGH-WBVHZDCISA-N 2 1 332.448 1.405 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668310 697460131 /nfs/dbraw/zinc/46/01/31/697460131.db2.gz DAWDKNWNPDSKGH-WBVHZDCISA-N 2 1 332.448 1.405 20 0 EDADMP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001031675092 697484614 /nfs/dbraw/zinc/48/46/14/697484614.db2.gz VDRDEZQLPLKYFM-MRXNPFEDSA-N 2 1 334.489 1.341 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2CN(Cc3ccncc3Cl)C2)CC[N@H+]1C ZINC001031681418 697504587 /nfs/dbraw/zinc/50/45/87/697504587.db2.gz QVCLEHPHRCRNTE-IUODEOHRSA-N 2 1 336.867 1.623 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NCC3([NH+](C)C)CC3)CC2)nc(C)[nH+]1 ZINC000921339658 697561528 /nfs/dbraw/zinc/56/15/28/697561528.db2.gz JDSBCIAJZHIRNF-UHFFFAOYSA-N 2 1 346.479 1.456 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2conc2C)C1 ZINC000995035761 700179605 /nfs/dbraw/zinc/17/96/05/700179605.db2.gz IQSAEYRYHTVEHF-ZBFHGGJFSA-N 2 1 331.420 1.563 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730548 698071970 /nfs/dbraw/zinc/07/19/70/698071970.db2.gz QPHZVOVCSVVGES-QGZVFWFLSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730548 698071975 /nfs/dbraw/zinc/07/19/75/698071975.db2.gz QPHZVOVCSVVGES-QGZVFWFLSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1conc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000995040149 700222008 /nfs/dbraw/zinc/22/20/08/700222008.db2.gz VHOMKXFTXOLSFM-LSDHHAIUSA-N 2 1 331.420 1.563 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)o1 ZINC000940110432 700223745 /nfs/dbraw/zinc/22/37/45/700223745.db2.gz YLRZITMUDKQHAU-HNNXBMFYSA-N 2 1 349.479 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](CCCF)CC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943514488 698428144 /nfs/dbraw/zinc/42/81/44/698428144.db2.gz DCNCRJDLSOQPOA-GDBMZVCRSA-N 2 1 339.459 1.245 20 0 EDADMP CC(C)N1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000354405454 698762390 /nfs/dbraw/zinc/76/23/90/698762390.db2.gz NWWSEVXZHNKDFL-RBUKOAKNSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000354405454 698762395 /nfs/dbraw/zinc/76/23/95/698762395.db2.gz NWWSEVXZHNKDFL-RBUKOAKNSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000354405454 698762397 /nfs/dbraw/zinc/76/23/97/698762397.db2.gz NWWSEVXZHNKDFL-RBUKOAKNSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000354405454 698762401 /nfs/dbraw/zinc/76/24/01/698762401.db2.gz NWWSEVXZHNKDFL-RBUKOAKNSA-N 2 1 345.487 1.876 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC000940124013 700257406 /nfs/dbraw/zinc/25/74/06/700257406.db2.gz VCTVPHNDOFECLO-DLBZAZTESA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000446278572 699049331 /nfs/dbraw/zinc/04/93/31/699049331.db2.gz WXISNNDJYHZJMN-ZFWWWQNUSA-N 2 1 339.443 1.621 20 0 EDADMP Cc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001031765818 699058822 /nfs/dbraw/zinc/05/88/22/699058822.db2.gz QKMAGBXKSWYUQA-CRAIPNDOSA-N 2 1 331.460 1.262 20 0 EDADMP Cc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001031765818 699058825 /nfs/dbraw/zinc/05/88/25/699058825.db2.gz QKMAGBXKSWYUQA-CRAIPNDOSA-N 2 1 331.460 1.262 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031775883 699148116 /nfs/dbraw/zinc/14/81/16/699148116.db2.gz BOBYWZNCGRNLAE-INIZCTEOSA-N 2 1 334.464 1.578 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031775883 699148119 /nfs/dbraw/zinc/14/81/19/699148119.db2.gz BOBYWZNCGRNLAE-INIZCTEOSA-N 2 1 334.464 1.578 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001031776186 699152847 /nfs/dbraw/zinc/15/28/47/699152847.db2.gz GSRLLVZALLSJBX-IBGZPJMESA-N 2 1 343.471 1.749 20 0 EDADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000939237036 699406577 /nfs/dbraw/zinc/40/65/77/699406577.db2.gz UDFTZOHQRJFQDI-UKRRQHHQSA-N 2 1 345.447 1.940 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC000939319726 699498053 /nfs/dbraw/zinc/49/80/53/699498053.db2.gz LUVNTNSTOZGPQF-YJBOKZPZSA-N 2 1 346.475 1.049 20 0 EDADMP C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1[NH2+]Cc1ccon1 ZINC000939806489 699955327 /nfs/dbraw/zinc/95/53/27/699955327.db2.gz JBUWRDBXVAKLMQ-KBXCAEBGSA-N 2 1 342.443 1.987 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940141779 700269467 /nfs/dbraw/zinc/26/94/67/700269467.db2.gz GGQKAJVXFCHUGC-QGZVFWFLSA-N 2 1 347.507 1.765 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC000940144792 700274794 /nfs/dbraw/zinc/27/47/94/700274794.db2.gz OBFOXRDCPULYLU-UHFFFAOYSA-N 2 1 344.463 1.555 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000940179474 700313463 /nfs/dbraw/zinc/31/34/63/700313463.db2.gz VKNGKCHICSUFAR-CQSZACIVSA-N 2 1 334.468 1.068 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC000940211744 700378010 /nfs/dbraw/zinc/37/80/10/700378010.db2.gz LKTBPIANQUAKGL-HOTGVXAUSA-N 2 1 334.464 1.730 20 0 EDADMP Cc1ccnc(CNC[C@@H]2CC[C@H](NC(=O)Cc3cncn3C)C2)n1 ZINC000995167526 701637868 /nfs/dbraw/zinc/63/78/68/701637868.db2.gz JUEXEVCOEZGEIL-CABCVRRESA-N 2 1 342.447 1.136 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cscn2)CC1 ZINC000940327613 700504611 /nfs/dbraw/zinc/50/46/11/700504611.db2.gz KQUYDZREIKGIKV-ZFWWWQNUSA-N 2 1 336.505 1.812 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000940328418 700506825 /nfs/dbraw/zinc/50/68/25/700506825.db2.gz JOLZVMCAJNDEBG-CQSZACIVSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000940328418 700506826 /nfs/dbraw/zinc/50/68/26/700506826.db2.gz JOLZVMCAJNDEBG-CQSZACIVSA-N 2 1 349.479 1.445 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940329629 700508926 /nfs/dbraw/zinc/50/89/26/700508926.db2.gz WDQXNVQHRRZMSM-GJZGRUSLSA-N 2 1 331.464 1.145 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940329479 700509058 /nfs/dbraw/zinc/50/90/58/700509058.db2.gz UESMSKCISGSYOJ-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940457489 700661102 /nfs/dbraw/zinc/66/11/02/700661102.db2.gz HVCPGJNSLZKNFS-OAHLLOKOSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000940462018 700665678 /nfs/dbraw/zinc/66/56/78/700665678.db2.gz XCIWYRZINVOTRC-OAHLLOKOSA-N 2 1 334.464 1.714 20 0 EDADMP Cn1nccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621642 700782794 /nfs/dbraw/zinc/78/27/94/700782794.db2.gz UWBOULSCIAXZOK-CVEARBPZSA-N 2 1 333.480 1.231 20 0 EDADMP Cn1nccc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621642 700782795 /nfs/dbraw/zinc/78/27/95/700782795.db2.gz UWBOULSCIAXZOK-CVEARBPZSA-N 2 1 333.480 1.231 20 0 EDADMP Cn1nccc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621642 700782798 /nfs/dbraw/zinc/78/27/98/700782798.db2.gz UWBOULSCIAXZOK-CVEARBPZSA-N 2 1 333.480 1.231 20 0 EDADMP Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621654 700782988 /nfs/dbraw/zinc/78/29/88/700782988.db2.gz UWBOULSCIAXZOK-JKSUJKDBSA-N 2 1 333.480 1.231 20 0 EDADMP Cn1nccc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621654 700782989 /nfs/dbraw/zinc/78/29/89/700782989.db2.gz UWBOULSCIAXZOK-JKSUJKDBSA-N 2 1 333.480 1.231 20 0 EDADMP Cn1nccc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621654 700782990 /nfs/dbraw/zinc/78/29/90/700782990.db2.gz UWBOULSCIAXZOK-JKSUJKDBSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1noc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC000995110484 700998377 /nfs/dbraw/zinc/99/83/77/700998377.db2.gz ZANNMSUSSULWJL-HUUCEWRRSA-N 2 1 349.479 1.484 20 0 EDADMP Cc1noc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC000995110484 700998380 /nfs/dbraw/zinc/99/83/80/700998380.db2.gz ZANNMSUSSULWJL-HUUCEWRRSA-N 2 1 349.479 1.484 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000940990881 701043892 /nfs/dbraw/zinc/04/38/92/701043892.db2.gz CQZSDOIMIRUEIC-UKRRQHHQSA-N 2 1 337.464 1.552 20 0 EDADMP Cn1cncc1C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941003770 701047282 /nfs/dbraw/zinc/04/72/82/701047282.db2.gz ZIEZLHZGBHFDMK-KRWDZBQOSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CCn2cccn2)CC1(C)C ZINC000941032992 701075181 /nfs/dbraw/zinc/07/51/81/701075181.db2.gz KWQSTMFHCOBTAH-IRXDYDNUSA-N 2 1 347.507 1.584 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CCn2cccn2)CC1(C)C ZINC000941032992 701075185 /nfs/dbraw/zinc/07/51/85/701075185.db2.gz KWQSTMFHCOBTAH-IRXDYDNUSA-N 2 1 347.507 1.584 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)CC1(C)C ZINC000941032992 701075189 /nfs/dbraw/zinc/07/51/89/701075189.db2.gz KWQSTMFHCOBTAH-IRXDYDNUSA-N 2 1 347.507 1.584 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCO)CC1(C)C ZINC000941075474 701102805 /nfs/dbraw/zinc/10/28/05/701102805.db2.gz MNZJBVDOWBBQJI-HZPDHXFCSA-N 2 1 325.497 1.458 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000941075474 701102806 /nfs/dbraw/zinc/10/28/06/701102806.db2.gz MNZJBVDOWBBQJI-HZPDHXFCSA-N 2 1 325.497 1.458 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941075474 701102807 /nfs/dbraw/zinc/10/28/07/701102807.db2.gz MNZJBVDOWBBQJI-HZPDHXFCSA-N 2 1 325.497 1.458 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)CC2(C)C)cc1 ZINC000941094014 701129826 /nfs/dbraw/zinc/12/98/26/701129826.db2.gz WEKVFWSDJLODDA-INIZCTEOSA-N 2 1 346.475 1.064 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)CC2(C)C)cc1 ZINC000941094014 701129827 /nfs/dbraw/zinc/12/98/27/701129827.db2.gz WEKVFWSDJLODDA-INIZCTEOSA-N 2 1 346.475 1.064 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124165 701181989 /nfs/dbraw/zinc/18/19/89/701181989.db2.gz OFDICAQRZXYMOJ-HOTGVXAUSA-N 2 1 325.497 1.316 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(Cc3ncccn3)CC2(C)C)C1 ZINC000941163981 701229253 /nfs/dbraw/zinc/22/92/53/701229253.db2.gz RCPDIPZXTZOCHS-HOTGVXAUSA-N 2 1 345.491 1.535 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1C[NH+](CC3CC(C)C3)C1)CC2 ZINC001031931309 701379049 /nfs/dbraw/zinc/37/90/49/701379049.db2.gz IFXDEZVSYQRZNG-PGEKIEPBSA-N 2 1 330.476 1.848 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941216140 701402565 /nfs/dbraw/zinc/40/25/65/701402565.db2.gz CJFSEICTXRTJKD-RDJZCZTQSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216140 701402567 /nfs/dbraw/zinc/40/25/67/701402567.db2.gz CJFSEICTXRTJKD-RDJZCZTQSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216140 701402569 /nfs/dbraw/zinc/40/25/69/701402569.db2.gz CJFSEICTXRTJKD-RDJZCZTQSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941217144 701403270 /nfs/dbraw/zinc/40/32/70/701403270.db2.gz KDWQSKFIHYFSJG-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217144 701403271 /nfs/dbraw/zinc/40/32/71/701403271.db2.gz KDWQSKFIHYFSJG-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217144 701403272 /nfs/dbraw/zinc/40/32/72/701403272.db2.gz KDWQSKFIHYFSJG-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128545 701789381 /nfs/dbraw/zinc/78/93/81/701789381.db2.gz GYBZZMJMQBGXLD-DOTOQJQBSA-N 2 1 334.464 1.651 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC3CCCCCC3)C2)C1 ZINC001032201378 701837922 /nfs/dbraw/zinc/83/79/22/701837922.db2.gz AMIWYXFNEKNARU-SFHVURJKSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC3CCCCCC3)C2)C1 ZINC001032201378 701837928 /nfs/dbraw/zinc/83/79/28/701837928.db2.gz AMIWYXFNEKNARU-SFHVURJKSA-N 2 1 337.508 1.726 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1C ZINC001031975956 701932440 /nfs/dbraw/zinc/93/24/40/701932440.db2.gz CHODGQXNPIHBNZ-MAUKXSAKSA-N 2 1 345.487 1.749 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999191303 706633923 /nfs/dbraw/zinc/63/39/23/706633923.db2.gz XGPVCSYLYDJHLJ-BPQIPLTHSA-N 2 1 330.476 1.811 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3nncs3)C(C)(C)C2)CC[N@H+]1C ZINC000995834305 702110897 /nfs/dbraw/zinc/11/08/97/702110897.db2.gz SNYZNEMGYBXKJP-UPJWGTAASA-N 2 1 337.493 1.205 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3nncs3)C(C)(C)C2)CC[N@@H+]1C ZINC000995834305 702110898 /nfs/dbraw/zinc/11/08/98/702110898.db2.gz SNYZNEMGYBXKJP-UPJWGTAASA-N 2 1 337.493 1.205 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3nncs3)C(C)(C)C2)CC[N@H+]1C ZINC000995834305 702110900 /nfs/dbraw/zinc/11/09/00/702110900.db2.gz SNYZNEMGYBXKJP-UPJWGTAASA-N 2 1 337.493 1.205 20 0 EDADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995835395 702112329 /nfs/dbraw/zinc/11/23/29/702112329.db2.gz WZDHQVKOOUNKLF-DAXOMENPSA-N 2 1 334.464 1.650 20 0 EDADMP CC(=O)Nc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001032182318 702196242 /nfs/dbraw/zinc/19/62/42/702196242.db2.gz JDJAUWUSDBQQCR-QGZVFWFLSA-N 2 1 344.459 1.145 20 0 EDADMP CCn1ncc(C[NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)n1 ZINC000995894520 702196617 /nfs/dbraw/zinc/19/66/17/702196617.db2.gz KDIYIOSGHQEIES-OAHLLOKOSA-N 2 1 348.495 1.109 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1)C1CCC1 ZINC000995920053 702239961 /nfs/dbraw/zinc/23/99/61/702239961.db2.gz RTOQWZPDUVCKQV-AWEZNQCLSA-N 2 1 337.493 1.349 20 0 EDADMP Cc1cnc(CN[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)nc1 ZINC000995975695 702332138 /nfs/dbraw/zinc/33/21/38/702332138.db2.gz JNXFFOHTXMMUBU-CVEARBPZSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(CN[C@H]2CN(C(=O)[C@H]3CCCCN3C)CC2(C)C)nc1 ZINC000995975695 702332146 /nfs/dbraw/zinc/33/21/46/702332146.db2.gz JNXFFOHTXMMUBU-CVEARBPZSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)s1 ZINC000944169064 702410282 /nfs/dbraw/zinc/41/02/82/702410282.db2.gz LOLVOERPDWOADV-DZGCQCFKSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)s1 ZINC000944169064 702410285 /nfs/dbraw/zinc/41/02/85/702410285.db2.gz LOLVOERPDWOADV-DZGCQCFKSA-N 2 1 348.516 1.874 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944151582 702435044 /nfs/dbraw/zinc/43/50/44/702435044.db2.gz AOUBLJXDZMGPGE-RHSMWYFYSA-N 2 1 346.450 1.643 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944151582 702435045 /nfs/dbraw/zinc/43/50/45/702435045.db2.gz AOUBLJXDZMGPGE-RHSMWYFYSA-N 2 1 346.450 1.643 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996055729 702453154 /nfs/dbraw/zinc/45/31/54/702453154.db2.gz CZVBHOAKMMEXGU-INIZCTEOSA-N 2 1 334.464 1.445 20 0 EDADMP Cc1noc(C)c1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995199297 702481275 /nfs/dbraw/zinc/48/12/75/702481275.db2.gz PIOLGSJXGRWDSZ-JKSUJKDBSA-N 2 1 345.447 1.871 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H]([NH2+]CC3CC3)C(C)(C)C1)CC2 ZINC000996210132 702641920 /nfs/dbraw/zinc/64/19/20/702641920.db2.gz XAXJQQWMCDQDIB-DOTOQJQBSA-N 2 1 330.476 1.991 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2(C)C)o1 ZINC000996248980 702651304 /nfs/dbraw/zinc/65/13/04/702651304.db2.gz RHMUHYCGZSTFCU-GDBMZVCRSA-N 2 1 336.480 1.896 20 0 EDADMP Cc1nnsc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995207184 702663656 /nfs/dbraw/zinc/66/36/56/702663656.db2.gz DKWYYXGDKKMQPV-UONOGXRCSA-N 2 1 348.476 1.426 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3nccs3)C(C)(C)C2)C1 ZINC000996299706 702690759 /nfs/dbraw/zinc/69/07/59/702690759.db2.gz CRTSKWOSOADPMO-UONOGXRCSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3nccs3)C(C)(C)C2)C1 ZINC000996299706 702690760 /nfs/dbraw/zinc/69/07/60/702690760.db2.gz CRTSKWOSOADPMO-UONOGXRCSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996300674 702692682 /nfs/dbraw/zinc/69/26/82/702692682.db2.gz OGSIVBOYNCCKSO-XJKSGUPXSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)co1 ZINC000996301567 702693753 /nfs/dbraw/zinc/69/37/53/702693753.db2.gz UXSLLJFYOZZJRN-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)co1 ZINC000996301567 702693754 /nfs/dbraw/zinc/69/37/54/702693754.db2.gz UXSLLJFYOZZJRN-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)o1 ZINC000996302667 702694744 /nfs/dbraw/zinc/69/47/44/702694744.db2.gz YPKYAYMYGATSDY-DZGCQCFKSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)o1 ZINC000996302667 702694747 /nfs/dbraw/zinc/69/47/47/702694747.db2.gz YPKYAYMYGATSDY-DZGCQCFKSA-N 2 1 334.464 1.651 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)C(C)(C)C1 ZINC000996372834 702740446 /nfs/dbraw/zinc/74/04/46/702740446.db2.gz GUCIQBQDHGIPAQ-HUUCEWRRSA-N 2 1 336.480 1.604 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)on1 ZINC000942256303 702747235 /nfs/dbraw/zinc/74/72/35/702747235.db2.gz DHVOEGOEBQVWOP-YOEHRIQHSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996465183 702792521 /nfs/dbraw/zinc/79/25/21/702792521.db2.gz SGOJXQCNBWKETG-SFHVURJKSA-N 2 1 347.507 1.682 20 0 EDADMP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996476809 702808680 /nfs/dbraw/zinc/80/86/80/702808680.db2.gz HMLURSKLUQGUIA-YJBOKZPZSA-N 2 1 346.475 1.938 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996614261 702919545 /nfs/dbraw/zinc/91/95/45/702919545.db2.gz MQQNTMZKGVOUNY-HOTGVXAUSA-N 2 1 346.475 1.369 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996614378 702919711 /nfs/dbraw/zinc/91/97/11/702919711.db2.gz MYEZXRYRISXIJJ-HOCLYGCPSA-N 2 1 333.480 1.007 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3coc(C4CC4)n3)C(C)(C)C2)C1 ZINC000996618506 702925199 /nfs/dbraw/zinc/92/51/99/702925199.db2.gz XKJHEAOFDLTFPG-ZBFHGGJFSA-N 2 1 346.475 1.830 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3coc(C4CC4)n3)C(C)(C)C2)C1 ZINC000996618506 702925200 /nfs/dbraw/zinc/92/52/00/702925200.db2.gz XKJHEAOFDLTFPG-ZBFHGGJFSA-N 2 1 346.475 1.830 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ncc(C4CC4)o3)C(C)(C)C2)C1 ZINC000996619058 702925378 /nfs/dbraw/zinc/92/53/78/702925378.db2.gz YKSQSPUVWDTQSJ-GDBMZVCRSA-N 2 1 346.475 1.830 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ncc(C4CC4)o3)C(C)(C)C2)C1 ZINC000996619058 702925381 /nfs/dbraw/zinc/92/53/81/702925381.db2.gz YKSQSPUVWDTQSJ-GDBMZVCRSA-N 2 1 346.475 1.830 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccnc2C)CC1 ZINC000996645277 702947679 /nfs/dbraw/zinc/94/76/79/702947679.db2.gz LDCZAUCDFGPUAN-SFHVURJKSA-N 2 1 345.491 1.740 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CCn3cccn3)CC2)C1 ZINC000996661479 702958784 /nfs/dbraw/zinc/95/87/84/702958784.db2.gz YMVNYAFWXAZEAX-QGZVFWFLSA-N 2 1 347.507 1.442 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)cn1 ZINC000996664741 702967233 /nfs/dbraw/zinc/96/72/33/702967233.db2.gz ILSFPLGYYUOBOI-UHFFFAOYSA-N 2 1 331.464 1.350 20 0 EDADMP Cn1ncnc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996674778 702970004 /nfs/dbraw/zinc/97/00/04/702970004.db2.gz WTZZXSMLRRCWCO-HNNXBMFYSA-N 2 1 348.495 1.018 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996668989 702970324 /nfs/dbraw/zinc/97/03/24/702970324.db2.gz NNISXUZMXPTPLS-AEFFLSMTSA-N 2 1 337.508 1.866 20 0 EDADMP Cn1ncc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC2(C)C)n1 ZINC000996669850 702971453 /nfs/dbraw/zinc/97/14/53/702971453.db2.gz IKHZVWRSRBVZMS-INIZCTEOSA-N 2 1 348.495 1.018 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996681192 702979781 /nfs/dbraw/zinc/97/97/81/702979781.db2.gz XLOUNTQNCMBOBS-RDJZCZTQSA-N 2 1 346.475 1.768 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000996689236 702986743 /nfs/dbraw/zinc/98/67/43/702986743.db2.gz KJCOXFOASRSAHK-MRXNPFEDSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000942518048 703011748 /nfs/dbraw/zinc/01/17/48/703011748.db2.gz LGUAOAIESRUEEK-PBHICJAKSA-N 2 1 327.432 1.613 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000942518048 703011751 /nfs/dbraw/zinc/01/17/51/703011751.db2.gz LGUAOAIESRUEEK-PBHICJAKSA-N 2 1 327.432 1.613 20 0 EDADMP CC1CCC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCOCC2)CC1 ZINC001032684026 706714600 /nfs/dbraw/zinc/71/46/00/706714600.db2.gz AWDXECVJLHGVEO-BTRQGYIVSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCOC2CCC2)C[C@H]1C ZINC000942518401 703015970 /nfs/dbraw/zinc/01/59/70/703015970.db2.gz RAAMXLKPOLCDND-RHSMWYFYSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCOC2CCC2)C[C@H]1C ZINC000942518401 703015973 /nfs/dbraw/zinc/01/59/73/703015973.db2.gz RAAMXLKPOLCDND-RHSMWYFYSA-N 2 1 334.464 1.587 20 0 EDADMP CC1CCC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCOCC2)CC1 ZINC001032684026 706714603 /nfs/dbraw/zinc/71/46/03/706714603.db2.gz AWDXECVJLHGVEO-BTRQGYIVSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000996803510 703094119 /nfs/dbraw/zinc/09/41/19/703094119.db2.gz WEGSOYUHVGIRHR-MRXNPFEDSA-N 2 1 334.464 1.587 20 0 EDADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996824054 703114377 /nfs/dbraw/zinc/11/43/77/703114377.db2.gz YILXTSKYHLDNDC-IPCDKGFNSA-N 2 1 347.503 1.620 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccns2)CC1 ZINC000996980609 703235942 /nfs/dbraw/zinc/23/59/42/703235942.db2.gz SLEOHOULTBTCQK-CZUORRHYSA-N 2 1 336.505 1.954 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000996994714 703251323 /nfs/dbraw/zinc/25/13/23/703251323.db2.gz ISBYBNABDDNLEE-OAHLLOKOSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1ccnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000996995350 703252273 /nfs/dbraw/zinc/25/22/73/703252273.db2.gz OATIYPHXAOCBMQ-OAHLLOKOSA-N 2 1 331.464 1.350 20 0 EDADMP CCn1ccc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000996997025 703260490 /nfs/dbraw/zinc/26/04/90/703260490.db2.gz DGBOBIHOTWFBNX-HNNXBMFYSA-N 2 1 333.480 1.468 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3nnc(C4CC4)[nH]3)CC2)C1 ZINC000997007243 703264611 /nfs/dbraw/zinc/26/46/11/703264611.db2.gz PEZVJDJUXIQVTR-ZDUSSCGKSA-N 2 1 346.479 1.105 20 0 EDADMP Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997013450 703273298 /nfs/dbraw/zinc/27/32/98/703273298.db2.gz ZKFMZFPIRFPUQF-WBVHZDCISA-N 2 1 330.476 1.668 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997100269 703346044 /nfs/dbraw/zinc/34/60/44/703346044.db2.gz LRRSNIIPEIUJLF-IIDMSEBBSA-N 2 1 347.507 1.477 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCOC1)[NH+]1CCCCC1 ZINC001032404735 703425422 /nfs/dbraw/zinc/42/54/22/703425422.db2.gz VTAHZQRPFDGTEG-SQNIBIBYSA-N 2 1 349.519 1.963 20 0 EDADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](CCC2CC2)CC1 ZINC000997175117 703462221 /nfs/dbraw/zinc/46/22/21/703462221.db2.gz ATVBFEQUCSZJDW-IIDMSEBBSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](CCC2CC2)CC1 ZINC000997175117 703462223 /nfs/dbraw/zinc/46/22/23/703462223.db2.gz ATVBFEQUCSZJDW-IIDMSEBBSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CC[NH+](CC2CC2)CC1 ZINC000997187510 703477128 /nfs/dbraw/zinc/47/71/28/703477128.db2.gz PUEMKMCJONHJBK-CYBMUJFWSA-N 2 1 334.464 1.977 20 0 EDADMP O=C(N1CCC([NH2+]Cc2cccnc2)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000997221057 703499363 /nfs/dbraw/zinc/49/93/63/703499363.db2.gz JTWNALYLAKHSLP-IBGZPJMESA-N 2 1 328.460 1.648 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000997221790 703499735 /nfs/dbraw/zinc/49/97/35/703499735.db2.gz OJAWAUNIKSTKSV-IBGZPJMESA-N 2 1 346.475 1.858 20 0 EDADMP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000997225018 703502043 /nfs/dbraw/zinc/50/20/43/703502043.db2.gz PLZHVTTZIKWEKW-SFHVURJKSA-N 2 1 332.448 1.550 20 0 EDADMP COc1ccc(CC[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000997299879 703557135 /nfs/dbraw/zinc/55/71/35/703557135.db2.gz QVDIHJAQRSWABK-QGZVFWFLSA-N 2 1 345.487 1.770 20 0 EDADMP CCOC1CC(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000997308567 703566487 /nfs/dbraw/zinc/56/64/87/703566487.db2.gz GHOYSSXKJDYDKB-UHFFFAOYSA-N 2 1 334.464 1.587 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(NCc2nc(C)no2)CC1 ZINC000997365033 703598184 /nfs/dbraw/zinc/59/81/84/703598184.db2.gz QFFOXNCAVINUBT-HNNXBMFYSA-N 2 1 335.452 1.333 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nc(C)no2)CC1 ZINC000997365033 703598186 /nfs/dbraw/zinc/59/81/86/703598186.db2.gz QFFOXNCAVINUBT-HNNXBMFYSA-N 2 1 335.452 1.333 20 0 EDADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCOCC2)CCC1 ZINC001032443826 703620711 /nfs/dbraw/zinc/62/07/11/703620711.db2.gz FAWZDSOPWVCTNX-ROUUACIJSA-N 2 1 349.519 1.963 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](CC3CCC3)CC2)C1 ZINC000997437075 703665734 /nfs/dbraw/zinc/66/57/34/703665734.db2.gz WSWQZZIXSCENDW-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](CC3CCC3)CC2)C1 ZINC000997437075 703665735 /nfs/dbraw/zinc/66/57/35/703665735.db2.gz WSWQZZIXSCENDW-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP CCn1ccnc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997419773 703669910 /nfs/dbraw/zinc/66/99/10/703669910.db2.gz CMSNTECIBQDWKU-NVXWUHKLSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccnc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997419773 703669911 /nfs/dbraw/zinc/66/99/11/703669911.db2.gz CMSNTECIBQDWKU-NVXWUHKLSA-N 2 1 347.507 1.571 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)C1CCCCC1)[NH+](C)C ZINC001032474873 703695721 /nfs/dbraw/zinc/69/57/21/703695721.db2.gz QEFAMVRMRGHMLW-FJIDUMEYSA-N 2 1 337.508 1.553 20 0 EDADMP Cc1oncc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997514091 703762527 /nfs/dbraw/zinc/76/25/27/703762527.db2.gz BYNWAINDXINISC-GUYCJALGSA-N 2 1 334.464 1.794 20 0 EDADMP CCCn1ncnc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997607732 703904491 /nfs/dbraw/zinc/90/44/91/703904491.db2.gz QBQZSHWQJVLHHT-MRXNPFEDSA-N 2 1 348.495 1.111 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1cnccn1 ZINC000997615850 703915212 /nfs/dbraw/zinc/91/52/12/703915212.db2.gz XBUCFYWLBUPNTF-RHSMWYFYSA-N 2 1 331.464 1.460 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2coc(C3CC3)n2)C(C)(C)C1 ZINC000995551497 703956854 /nfs/dbraw/zinc/95/68/54/703956854.db2.gz NOGCYUGSNCXIGJ-HOTGVXAUSA-N 2 1 346.475 1.973 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2coc(C3CC3)n2)C(C)(C)C1 ZINC000995551497 703956859 /nfs/dbraw/zinc/95/68/59/703956859.db2.gz NOGCYUGSNCXIGJ-HOTGVXAUSA-N 2 1 346.475 1.973 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(Cc2cnns2)CC1 ZINC001004208116 703968245 /nfs/dbraw/zinc/96/82/45/703968245.db2.gz LNOJKMHNNDZAAA-OAHLLOKOSA-N 2 1 337.493 1.493 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]CCc3cnn(C)c3)C2)CC[N@H+]1C ZINC000999291394 706786933 /nfs/dbraw/zinc/78/69/33/706786933.db2.gz BARKPZACKMWUEV-WSDZMALLSA-N 2 1 347.507 1.272 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3)C2)C1 ZINC000999294421 706791702 /nfs/dbraw/zinc/79/17/02/706791702.db2.gz SZXSSCWKRDCKTN-ACBHZAAOSA-N 2 1 345.487 1.875 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3)C2)C1 ZINC000999294421 706791705 /nfs/dbraw/zinc/79/17/05/706791705.db2.gz SZXSSCWKRDCKTN-ACBHZAAOSA-N 2 1 345.487 1.875 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sn1 ZINC001033091584 704166816 /nfs/dbraw/zinc/16/68/16/704166816.db2.gz LTFDLABCXCGOAZ-IIAWOOMASA-N 2 1 336.505 1.824 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sn1 ZINC001033091584 704166817 /nfs/dbraw/zinc/16/68/17/704166817.db2.gz LTFDLABCXCGOAZ-IIAWOOMASA-N 2 1 336.505 1.824 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)sn1 ZINC001033091584 704166818 /nfs/dbraw/zinc/16/68/18/704166818.db2.gz LTFDLABCXCGOAZ-IIAWOOMASA-N 2 1 336.505 1.824 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)sn1 ZINC001033091584 704166819 /nfs/dbraw/zinc/16/68/19/704166819.db2.gz LTFDLABCXCGOAZ-IIAWOOMASA-N 2 1 336.505 1.824 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(F)cn3)C2)CC[N@H+]1C ZINC001033095056 704175596 /nfs/dbraw/zinc/17/55/96/704175596.db2.gz OPSSMTFIKLBHGU-XOKHGSTOSA-N 2 1 334.439 1.594 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(F)cn3)C2)CC[N@@H+]1C ZINC001033095056 704175599 /nfs/dbraw/zinc/17/55/99/704175599.db2.gz OPSSMTFIKLBHGU-XOKHGSTOSA-N 2 1 334.439 1.594 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(F)cn3)C2)CC[N@H+]1C ZINC001033095056 704175603 /nfs/dbraw/zinc/17/56/03/704175603.db2.gz OPSSMTFIKLBHGU-XOKHGSTOSA-N 2 1 334.439 1.594 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(F)cn3)C2)CC[NH+]1C ZINC001033095056 704175605 /nfs/dbraw/zinc/17/56/05/704175605.db2.gz OPSSMTFIKLBHGU-XOKHGSTOSA-N 2 1 334.439 1.594 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)CC[NH+]1C ZINC001033095056 704175608 /nfs/dbraw/zinc/17/56/08/704175608.db2.gz OPSSMTFIKLBHGU-XOKHGSTOSA-N 2 1 334.439 1.594 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cc(C)ncn3)C2)CC[N@@H+]1C ZINC001033100403 704217817 /nfs/dbraw/zinc/21/78/17/704217817.db2.gz ZCHJYBPDQFBHBI-FGTMMUONSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cc(C)ncn3)C2)CC[N@H+]1C ZINC001033100403 704217819 /nfs/dbraw/zinc/21/78/19/704217819.db2.gz ZCHJYBPDQFBHBI-FGTMMUONSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(C)ncn3)C2)CC[NH+]1C ZINC001033100403 704217820 /nfs/dbraw/zinc/21/78/20/704217820.db2.gz ZCHJYBPDQFBHBI-FGTMMUONSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(C)ncn3)C2)CC[NH+]1C ZINC001033100403 704217822 /nfs/dbraw/zinc/21/78/22/704217822.db2.gz ZCHJYBPDQFBHBI-FGTMMUONSA-N 2 1 345.491 1.548 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)no2)C1 ZINC000999308073 706808722 /nfs/dbraw/zinc/80/87/22/706808722.db2.gz OZMFOFWZSQWPCP-NVXWUHKLSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598131 704298762 /nfs/dbraw/zinc/29/87/62/704298762.db2.gz YKJFLHYXMZDZTR-XWTMOSNGSA-N 2 1 335.492 1.430 20 0 EDADMP CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598131 704298764 /nfs/dbraw/zinc/29/87/64/704298764.db2.gz YKJFLHYXMZDZTR-XWTMOSNGSA-N 2 1 335.492 1.430 20 0 EDADMP CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598131 704298766 /nfs/dbraw/zinc/29/87/66/704298766.db2.gz YKJFLHYXMZDZTR-XWTMOSNGSA-N 2 1 335.492 1.430 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCC3CC3)CC2)C1 ZINC001004380739 704346713 /nfs/dbraw/zinc/34/67/13/704346713.db2.gz PEUNKNOTTXSOIP-RBUKOAKNSA-N 2 1 349.519 1.820 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCC3CC3)CC2)C1 ZINC001004380739 704346714 /nfs/dbraw/zinc/34/67/14/704346714.db2.gz PEUNKNOTTXSOIP-RBUKOAKNSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CCC3CC3)CC2)C1 ZINC001004380739 704346717 /nfs/dbraw/zinc/34/67/17/704346717.db2.gz PEUNKNOTTXSOIP-RBUKOAKNSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CCC3CC3)CC2)C1 ZINC001004380739 704346719 /nfs/dbraw/zinc/34/67/19/704346719.db2.gz PEUNKNOTTXSOIP-RBUKOAKNSA-N 2 1 349.519 1.820 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CC[NH+](CCCF)CC2)C1 ZINC000997723517 704619822 /nfs/dbraw/zinc/61/98/22/704619822.db2.gz CKOJRGUZFPQYMA-RDJZCZTQSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CC[NH+](CCCF)CC2)C1 ZINC000997723517 704619823 /nfs/dbraw/zinc/61/98/23/704619823.db2.gz CKOJRGUZFPQYMA-RDJZCZTQSA-N 2 1 343.487 1.672 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1)C2 ZINC000997747135 704643728 /nfs/dbraw/zinc/64/37/28/704643728.db2.gz DOTLJOZCKCZWKY-WMLDXEAASA-N 2 1 348.491 1.353 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)on1 ZINC000997786443 704692390 /nfs/dbraw/zinc/69/23/90/704692390.db2.gz QDGMGFHVJBDLLQ-RHSMWYFYSA-N 2 1 334.464 1.651 20 0 EDADMP CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000997793163 704699387 /nfs/dbraw/zinc/69/93/87/704699387.db2.gz MUOFJOYLSLXMIH-CRAIPNDOSA-N 2 1 347.507 1.571 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000997860888 704771448 /nfs/dbraw/zinc/77/14/48/704771448.db2.gz CUPLUSPIZNBTJP-XJKSGUPXSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000997865190 704772497 /nfs/dbraw/zinc/77/24/97/704772497.db2.gz LYTDYVPVKDQWCR-INIZCTEOSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000997866340 704772985 /nfs/dbraw/zinc/77/29/85/704772985.db2.gz ITHRIARMMCAULL-HOCLYGCPSA-N 2 1 348.466 1.889 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCOC)CC1 ZINC000997874822 704779455 /nfs/dbraw/zinc/77/94/55/704779455.db2.gz RLWUOEFYZWSQRA-RDJZCZTQSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944942945 704795521 /nfs/dbraw/zinc/79/55/21/704795521.db2.gz DJICRDYYAKVKFC-LRDDRELGSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944942945 704795522 /nfs/dbraw/zinc/79/55/22/704795522.db2.gz DJICRDYYAKVKFC-LRDDRELGSA-N 2 1 331.420 1.515 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944945509 704798537 /nfs/dbraw/zinc/79/85/37/704798537.db2.gz RQOOHRIPTXIAQB-WMLDXEAASA-N 2 1 334.464 1.659 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944964886 704833806 /nfs/dbraw/zinc/83/38/06/704833806.db2.gz MSXSQTVGMQPRMR-SWLSCSKDSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1ncsc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944964886 704833813 /nfs/dbraw/zinc/83/38/13/704833813.db2.gz MSXSQTVGMQPRMR-SWLSCSKDSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1nonc1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000998006119 705169019 /nfs/dbraw/zinc/16/90/19/705169019.db2.gz YSMXQYPVOZNABU-BBRMVZONSA-N 2 1 349.479 1.437 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H]3C[C@H]1C[N@@H+]3CC1CCC1)CC2 ZINC001032591287 705178972 /nfs/dbraw/zinc/17/89/72/705178972.db2.gz RRLHUOXAZGULBX-SZMVWBNQSA-N 2 1 328.460 1.839 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H]3C[C@H]1C[N@H+]3CC1CCC1)CC2 ZINC001032591287 705178975 /nfs/dbraw/zinc/17/89/75/705178975.db2.gz RRLHUOXAZGULBX-SZMVWBNQSA-N 2 1 328.460 1.839 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000998077419 705297860 /nfs/dbraw/zinc/29/78/60/705297860.db2.gz FVCMGCJSEFQFLY-GXTWGEPZSA-N 2 1 337.493 1.064 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC000998080455 705305319 /nfs/dbraw/zinc/30/53/19/705305319.db2.gz ALUYWZNZUQDAEK-KBPBESRZSA-N 2 1 349.479 1.752 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)o1 ZINC000998085418 705317047 /nfs/dbraw/zinc/31/70/47/705317047.db2.gz FYFHLAAGLYGHSH-AWEZNQCLSA-N 2 1 337.468 1.300 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCF)C3)CC1 ZINC001040473067 705422367 /nfs/dbraw/zinc/42/23/67/705422367.db2.gz CTUFQVMNMMXCLD-SFHVURJKSA-N 2 1 341.471 1.381 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000998190452 705496337 /nfs/dbraw/zinc/49/63/37/705496337.db2.gz PYTPTIVLGOCAHK-ROUUACIJSA-N 2 1 347.507 1.538 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000998190452 705496339 /nfs/dbraw/zinc/49/63/39/705496339.db2.gz PYTPTIVLGOCAHK-ROUUACIJSA-N 2 1 347.507 1.538 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000998190452 705496341 /nfs/dbraw/zinc/49/63/41/705496341.db2.gz PYTPTIVLGOCAHK-ROUUACIJSA-N 2 1 347.507 1.538 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2nnc(C)o2)CC1 ZINC000998191176 705499546 /nfs/dbraw/zinc/49/95/46/705499546.db2.gz TYWRLAASNGCWDA-HZPDHXFCSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](Cc2nnc(C)o2)CC1 ZINC000998191176 705499550 /nfs/dbraw/zinc/49/95/50/705499550.db2.gz TYWRLAASNGCWDA-HZPDHXFCSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](Cc2nnc(C)o2)CC1 ZINC000998191176 705499555 /nfs/dbraw/zinc/49/95/55/705499555.db2.gz TYWRLAASNGCWDA-HZPDHXFCSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](Cc2nnc(C)o2)CC1 ZINC000998191176 705499557 /nfs/dbraw/zinc/49/95/57/705499557.db2.gz TYWRLAASNGCWDA-HZPDHXFCSA-N 2 1 349.479 1.533 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000998216654 705539122 /nfs/dbraw/zinc/53/91/22/705539122.db2.gz JNGADWCPFXKEGD-QGZVFWFLSA-N 2 1 347.507 1.399 20 0 EDADMP CCO[C@@H](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)C1CCCC1 ZINC000083053360 705601523 /nfs/dbraw/zinc/60/15/23/705601523.db2.gz IHTJVHNVYGAZTM-KRWDZBQOSA-N 2 1 340.512 1.598 20 0 EDADMP CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C(F)(F)F ZINC000998266662 705635259 /nfs/dbraw/zinc/63/52/59/705635259.db2.gz KWELXHACOUTZQJ-DGCLKSJQSA-N 2 1 348.369 1.739 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]C(C)C)C1 ZINC000998312316 705725888 /nfs/dbraw/zinc/72/58/88/705725888.db2.gz JKKWPTZHPZUKJQ-STQMWFEESA-N 2 1 332.370 1.969 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@H]2CCCO2)C1 ZINC001032629478 705751984 /nfs/dbraw/zinc/75/19/84/705751984.db2.gz YHIKGQTVIYLQMA-YESZJQIVSA-N 2 1 335.492 1.573 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@H]2CCCO2)C1 ZINC001032629478 705751986 /nfs/dbraw/zinc/75/19/86/705751986.db2.gz YHIKGQTVIYLQMA-YESZJQIVSA-N 2 1 335.492 1.573 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@H]2CCCO2)C1 ZINC001032629478 705751987 /nfs/dbraw/zinc/75/19/87/705751987.db2.gz YHIKGQTVIYLQMA-YESZJQIVSA-N 2 1 335.492 1.573 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000998722086 706153683 /nfs/dbraw/zinc/15/36/83/706153683.db2.gz ODRONNFDSYLMEO-LSDHHAIUSA-N 2 1 336.867 1.910 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000998765230 706204762 /nfs/dbraw/zinc/20/47/62/706204762.db2.gz XAJINDJQMUOWRF-VJFUWPCTSA-N 2 1 347.507 1.414 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)no1 ZINC000998781895 706222874 /nfs/dbraw/zinc/22/28/74/706222874.db2.gz YLOSPZXQFUOVJN-PREGVCBESA-N 2 1 332.448 1.404 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sn1 ZINC000998791726 706238587 /nfs/dbraw/zinc/23/85/87/706238587.db2.gz QPGGYCQBDMRJCA-UWLZSVRSSA-N 2 1 336.505 1.871 20 0 EDADMP CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998824598 706271354 /nfs/dbraw/zinc/27/13/54/706271354.db2.gz KWZZJKBMCSFMQY-RTBURBONSA-N 2 1 345.487 1.660 20 0 EDADMP CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998824598 706271355 /nfs/dbraw/zinc/27/13/55/706271355.db2.gz KWZZJKBMCSFMQY-RTBURBONSA-N 2 1 345.487 1.660 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)no2)C1 ZINC000998867284 706296738 /nfs/dbraw/zinc/29/67/38/706296738.db2.gz PNUDSWBDWNEZIQ-VMBOVVBDSA-N 2 1 334.464 1.936 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ocnc2C)C1 ZINC000998867309 706297308 /nfs/dbraw/zinc/29/73/08/706297308.db2.gz QVNSITQUWFPWEO-UYSNPLJNSA-N 2 1 334.464 1.936 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnoc2C)C1 ZINC000998868209 706297605 /nfs/dbraw/zinc/29/76/05/706297605.db2.gz VOGGACSGMOZOHI-OFLPRAFFSA-N 2 1 334.464 1.936 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000998868355 706297777 /nfs/dbraw/zinc/29/77/77/706297777.db2.gz XBPMZIQOZDNAJY-GPANFISMSA-N 2 1 333.480 1.374 20 0 EDADMP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000999144747 706558364 /nfs/dbraw/zinc/55/83/64/706558364.db2.gz NMDUWQSVOQKDCH-MSOLQXFVSA-N 2 1 347.507 1.856 20 0 EDADMP C[C@H]([NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1)c1csnn1 ZINC000999342622 706854617 /nfs/dbraw/zinc/85/46/17/706854617.db2.gz LNDCMYCCYQQQJW-XGNXJENSSA-N 2 1 337.493 1.520 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999350061 706862886 /nfs/dbraw/zinc/86/28/86/706862886.db2.gz WNUYRROVHLELGG-OAHLLOKOSA-N 2 1 331.464 1.350 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000999351252 706864306 /nfs/dbraw/zinc/86/43/06/706864306.db2.gz DTQNKZSKUIWKIZ-MSOLQXFVSA-N 2 1 347.507 1.584 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999362470 706876219 /nfs/dbraw/zinc/87/62/19/706876219.db2.gz BAURZIOFWQEOOL-RDJZCZTQSA-N 2 1 348.495 1.027 20 0 EDADMP CCn1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000999400381 706895196 /nfs/dbraw/zinc/89/51/96/706895196.db2.gz KUCBYKOXDBYHEE-NVXWUHKLSA-N 2 1 348.495 1.253 20 0 EDADMP CCn1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)nn1 ZINC000999400381 706895199 /nfs/dbraw/zinc/89/51/99/706895199.db2.gz KUCBYKOXDBYHEE-NVXWUHKLSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000999507717 707005309 /nfs/dbraw/zinc/00/53/09/707005309.db2.gz DMPQDIIWULJVCJ-RDJZCZTQSA-N 2 1 331.464 1.350 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3F)C2)O1 ZINC000999492357 707028933 /nfs/dbraw/zinc/02/89/33/707028933.db2.gz ALHALFYXHIJANA-QGPMSJSTSA-N 2 1 349.450 1.625 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3F)C2)O1 ZINC000999492357 707028936 /nfs/dbraw/zinc/02/89/36/707028936.db2.gz ALHALFYXHIJANA-QGPMSJSTSA-N 2 1 349.450 1.625 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)O1 ZINC000999492386 707029045 /nfs/dbraw/zinc/02/90/45/707029045.db2.gz ASGAKACTQLSTAT-KBAYOESNSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)O1 ZINC000999492386 707029046 /nfs/dbraw/zinc/02/90/46/707029046.db2.gz ASGAKACTQLSTAT-KBAYOESNSA-N 2 1 331.460 1.486 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC000999573020 707078962 /nfs/dbraw/zinc/07/89/62/707078962.db2.gz HKBZBVKXHWJADJ-HOCLYGCPSA-N 2 1 335.452 1.271 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC000999573020 707078966 /nfs/dbraw/zinc/07/89/66/707078966.db2.gz HKBZBVKXHWJADJ-HOCLYGCPSA-N 2 1 335.452 1.271 20 0 EDADMP Cc1nnc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)[nH]1 ZINC000999597499 707100228 /nfs/dbraw/zinc/10/02/28/707100228.db2.gz PQOQYXGPZVWILS-DZGCQCFKSA-N 2 1 346.479 1.383 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]2CC1)[NH+](C)C ZINC000946784193 707281543 /nfs/dbraw/zinc/28/15/43/707281543.db2.gz DADFCQQKFBVAJS-XHSDSOJGSA-N 2 1 349.479 1.389 20 0 EDADMP CO[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1)C1CCC1 ZINC001033267772 707305387 /nfs/dbraw/zinc/30/53/87/707305387.db2.gz VUMMXSZHMYOCDU-DLBZAZTESA-N 2 1 334.464 1.539 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1)C1CCC1 ZINC001033267772 707305391 /nfs/dbraw/zinc/30/53/91/707305391.db2.gz VUMMXSZHMYOCDU-DLBZAZTESA-N 2 1 334.464 1.539 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2nccnc2C)C1 ZINC000999838057 707409617 /nfs/dbraw/zinc/40/96/17/707409617.db2.gz UXQLNRCXYOWYBF-UHFFFAOYSA-N 2 1 328.420 1.069 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)[nH]1 ZINC000999877661 707526898 /nfs/dbraw/zinc/52/68/98/707526898.db2.gz WBPQMWOYARAXHO-AWEZNQCLSA-N 2 1 334.468 1.068 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cnns1 ZINC001004893374 707575172 /nfs/dbraw/zinc/57/51/72/707575172.db2.gz DDZLSHLCQBLIBZ-HIFRSBDPSA-N 2 1 348.476 1.602 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999986284 707657598 /nfs/dbraw/zinc/65/75/98/707657598.db2.gz HBTVCWNBSUEQSF-HYVNUMGLSA-N 2 1 348.495 1.137 20 0 EDADMP CC(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999986284 707657603 /nfs/dbraw/zinc/65/76/03/707657603.db2.gz HBTVCWNBSUEQSF-HYVNUMGLSA-N 2 1 348.495 1.137 20 0 EDADMP CC(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999986284 707657606 /nfs/dbraw/zinc/65/76/06/707657606.db2.gz HBTVCWNBSUEQSF-HYVNUMGLSA-N 2 1 348.495 1.137 20 0 EDADMP Cc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@@H+](C)C2)s1 ZINC001032730516 707738360 /nfs/dbraw/zinc/73/83/60/707738360.db2.gz HVVJMTLWYCCAIX-PMPSAXMXSA-N 2 1 348.516 1.887 20 0 EDADMP Cc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@H+](C)C2)s1 ZINC001032730516 707738364 /nfs/dbraw/zinc/73/83/64/707738364.db2.gz HVVJMTLWYCCAIX-PMPSAXMXSA-N 2 1 348.516 1.887 20 0 EDADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)s1 ZINC001032730516 707738367 /nfs/dbraw/zinc/73/83/67/707738367.db2.gz HVVJMTLWYCCAIX-PMPSAXMXSA-N 2 1 348.516 1.887 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)s1 ZINC001032730516 707738370 /nfs/dbraw/zinc/73/83/70/707738370.db2.gz HVVJMTLWYCCAIX-PMPSAXMXSA-N 2 1 348.516 1.887 20 0 EDADMP Cn1cncc1CC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CC(C)(C)CO1 ZINC001032733434 707740735 /nfs/dbraw/zinc/74/07/35/707740735.db2.gz VXDWENDPAFSNSV-JYJNAYRXSA-N 2 1 332.448 1.063 20 0 EDADMP Cc1cc(N2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)nc(C)[nH+]1 ZINC001061652632 707795711 /nfs/dbraw/zinc/79/57/11/707795711.db2.gz LXCJLDGGQXBBFH-IAGOWNOFSA-N 2 1 345.491 1.909 20 0 EDADMP Cc1cc(N2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nc(C)[nH+]1 ZINC001061652632 707795717 /nfs/dbraw/zinc/79/57/17/707795717.db2.gz LXCJLDGGQXBBFH-IAGOWNOFSA-N 2 1 345.491 1.909 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1 ZINC001032784522 707985487 /nfs/dbraw/zinc/98/54/87/707985487.db2.gz ABXOOZJQXSYLLQ-NEWSRXKRSA-N 2 1 349.519 1.820 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1 ZINC001032784522 707985489 /nfs/dbraw/zinc/98/54/89/707985489.db2.gz ABXOOZJQXSYLLQ-NEWSRXKRSA-N 2 1 349.519 1.820 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1)C1CCC1 ZINC001032801129 708082343 /nfs/dbraw/zinc/08/23/43/708082343.db2.gz LTPUEUVUTFWMHH-FHWLQOOXSA-N 2 1 349.519 1.963 20 0 EDADMP COc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)on1 ZINC001005185442 708113167 /nfs/dbraw/zinc/11/31/67/708113167.db2.gz RDWONYIOXDCDCP-OAHLLOKOSA-N 2 1 336.436 1.200 20 0 EDADMP COc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)on1 ZINC001005185442 708113168 /nfs/dbraw/zinc/11/31/68/708113168.db2.gz RDWONYIOXDCDCP-OAHLLOKOSA-N 2 1 336.436 1.200 20 0 EDADMP C[C@H]1CC[C@H](C[N@@H+]2CC=C(CNC(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC001001376621 708140799 /nfs/dbraw/zinc/14/07/99/708140799.db2.gz POKXCVIMENQOQF-DOTOQJQBSA-N 2 1 333.476 1.398 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001420816 708146184 /nfs/dbraw/zinc/14/61/84/708146184.db2.gz QAHMKVMUTQELLV-HLLBOEOZSA-N 2 1 345.491 1.706 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582802 708266076 /nfs/dbraw/zinc/26/60/76/708266076.db2.gz RDMUPLQBUSCEOA-CVEARBPZSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033582802 708266080 /nfs/dbraw/zinc/26/60/80/708266080.db2.gz RDMUPLQBUSCEOA-CVEARBPZSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033582802 708266084 /nfs/dbraw/zinc/26/60/84/708266084.db2.gz RDMUPLQBUSCEOA-CVEARBPZSA-N 2 1 348.491 1.920 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582734 708266385 /nfs/dbraw/zinc/26/63/85/708266385.db2.gz QCUDCUQWEOLJRL-WBVHZDCISA-N 2 1 333.480 1.103 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033582734 708266389 /nfs/dbraw/zinc/26/63/89/708266389.db2.gz QCUDCUQWEOLJRL-WBVHZDCISA-N 2 1 333.480 1.103 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033582734 708266391 /nfs/dbraw/zinc/26/63/91/708266391.db2.gz QCUDCUQWEOLJRL-WBVHZDCISA-N 2 1 333.480 1.103 20 0 EDADMP Cc1ncc(CN2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033583600 708307445 /nfs/dbraw/zinc/30/74/45/708307445.db2.gz WEDHLGSVDAZZPP-NVXWUHKLSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001033583600 708307448 /nfs/dbraw/zinc/30/74/48/708307448.db2.gz WEDHLGSVDAZZPP-NVXWUHKLSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001033583600 708307451 /nfs/dbraw/zinc/30/74/51/708307451.db2.gz WEDHLGSVDAZZPP-NVXWUHKLSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033583600 708307453 /nfs/dbraw/zinc/30/74/53/708307453.db2.gz WEDHLGSVDAZZPP-NVXWUHKLSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033583600 708307456 /nfs/dbraw/zinc/30/74/56/708307456.db2.gz WEDHLGSVDAZZPP-NVXWUHKLSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nnc([C@@H](C)[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001001794182 708308733 /nfs/dbraw/zinc/30/87/33/708308733.db2.gz CFGSYJCNPSZFRU-CYBMUJFWSA-N 2 1 349.479 1.609 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)ncn1 ZINC001001835635 708340231 /nfs/dbraw/zinc/34/02/31/708340231.db2.gz YSFWNCMYCXZMGO-KDOFPFPSSA-N 2 1 345.491 1.311 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001033679360 708489347 /nfs/dbraw/zinc/48/93/47/708489347.db2.gz KZKHQEYIPNMKKH-QZTJIDSGSA-N 2 1 335.492 1.740 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001033679360 708489348 /nfs/dbraw/zinc/48/93/48/708489348.db2.gz KZKHQEYIPNMKKH-QZTJIDSGSA-N 2 1 335.492 1.740 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001033679360 708489351 /nfs/dbraw/zinc/48/93/51/708489351.db2.gz KZKHQEYIPNMKKH-QZTJIDSGSA-N 2 1 335.492 1.740 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001033679360 708489353 /nfs/dbraw/zinc/48/93/53/708489353.db2.gz KZKHQEYIPNMKKH-QZTJIDSGSA-N 2 1 335.492 1.740 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([NH2+]C2CCOCC2)CC1)CC(C)(C)C ZINC000922893192 708969716 /nfs/dbraw/zinc/96/97/16/708969716.db2.gz USFOJHFSOMKRAU-UHFFFAOYSA-N 2 1 325.497 1.724 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC[NH+](CC2CCCC2)CC1 ZINC001005427328 708982196 /nfs/dbraw/zinc/98/21/96/708982196.db2.gz WNIQSHJQGJTRLB-RBUKOAKNSA-N 2 1 349.519 1.963 20 0 EDADMP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033907992 709040641 /nfs/dbraw/zinc/04/06/41/709040641.db2.gz WSHUOANWTKILQR-VZDIDWBNSA-N 2 1 335.492 1.573 20 0 EDADMP CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033907992 709040645 /nfs/dbraw/zinc/04/06/45/709040645.db2.gz WSHUOANWTKILQR-VZDIDWBNSA-N 2 1 335.492 1.573 20 0 EDADMP CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033907992 709040651 /nfs/dbraw/zinc/04/06/51/709040651.db2.gz WSHUOANWTKILQR-VZDIDWBNSA-N 2 1 335.492 1.573 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001005474324 709110289 /nfs/dbraw/zinc/11/02/89/709110289.db2.gz BSFSYZKZCLVWPR-GOSISDBHSA-N 2 1 347.507 1.680 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC001033939564 709144860 /nfs/dbraw/zinc/14/48/60/709144860.db2.gz BJQJRMSFNPXGRK-NVXWUHKLSA-N 2 1 345.491 1.802 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+]([C@H](C)c2cnccn2)C1 ZINC001033939564 709144862 /nfs/dbraw/zinc/14/48/62/709144862.db2.gz BJQJRMSFNPXGRK-NVXWUHKLSA-N 2 1 345.491 1.802 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C1CC[NH+](CCF)CC1 ZINC001005497609 709245351 /nfs/dbraw/zinc/24/53/51/709245351.db2.gz NXUDTUQUTOSDBX-KRWDZBQOSA-N 2 1 341.471 1.522 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C1CC[NH+](CCF)CC1 ZINC001005497609 709245355 /nfs/dbraw/zinc/24/53/55/709245355.db2.gz NXUDTUQUTOSDBX-KRWDZBQOSA-N 2 1 341.471 1.522 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2cc(OC)no2)C1 ZINC001034039937 709272862 /nfs/dbraw/zinc/27/28/62/709272862.db2.gz NXYFSDLIHWZKFQ-UONOGXRCSA-N 2 1 336.436 1.058 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccnc(OC)c2)C1 ZINC001034043463 709294978 /nfs/dbraw/zinc/29/49/78/709294978.db2.gz VBFIJTSORNJZPA-IRXDYDNUSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccnc(OC)c2)C1 ZINC001034043463 709294980 /nfs/dbraw/zinc/29/49/80/709294980.db2.gz VBFIJTSORNJZPA-IRXDYDNUSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccnc(OC)c2)C1 ZINC001034043463 709294982 /nfs/dbraw/zinc/29/49/82/709294982.db2.gz VBFIJTSORNJZPA-IRXDYDNUSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccnc(OC)c2)C1 ZINC001034043463 709294984 /nfs/dbraw/zinc/29/49/84/709294984.db2.gz VBFIJTSORNJZPA-IRXDYDNUSA-N 2 1 346.475 1.465 20 0 EDADMP CN1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001034148198 709419084 /nfs/dbraw/zinc/41/90/84/709419084.db2.gz GKQMOBGQMUFBQQ-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CCC3CCCC3)C2)C1 ZINC001034148198 709419086 /nfs/dbraw/zinc/41/90/86/709419086.db2.gz GKQMOBGQMUFBQQ-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CCC3CCCC3)C2)C1 ZINC001034148198 709419088 /nfs/dbraw/zinc/41/90/88/709419088.db2.gz GKQMOBGQMUFBQQ-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](CCC3CCCC3)C2)C1 ZINC001034148198 709419090 /nfs/dbraw/zinc/41/90/90/709419090.db2.gz GKQMOBGQMUFBQQ-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001034148198 709419093 /nfs/dbraw/zinc/41/90/93/709419093.db2.gz GKQMOBGQMUFBQQ-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)nn1C ZINC001002833865 709449268 /nfs/dbraw/zinc/44/92/68/709449268.db2.gz QFCUKLGGQNHINS-SFHVURJKSA-N 2 1 345.491 1.151 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC001002851862 709461896 /nfs/dbraw/zinc/46/18/96/709461896.db2.gz KCOIJDQQYGHLPR-CXAGYDPISA-N 2 1 331.464 1.206 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC001002851862 709461897 /nfs/dbraw/zinc/46/18/97/709461897.db2.gz KCOIJDQQYGHLPR-CXAGYDPISA-N 2 1 331.464 1.206 20 0 EDADMP O=C(N[C@@H]1CCCC[N@H+](CCO)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001034212936 709564341 /nfs/dbraw/zinc/56/43/41/709564341.db2.gz RXXGTOVTRQNOKQ-IAGOWNOFSA-N 2 1 337.508 1.604 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CCO)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001034212936 709564343 /nfs/dbraw/zinc/56/43/43/709564343.db2.gz RXXGTOVTRQNOKQ-IAGOWNOFSA-N 2 1 337.508 1.604 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CCO)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001034212936 709564347 /nfs/dbraw/zinc/56/43/47/709564347.db2.gz RXXGTOVTRQNOKQ-IAGOWNOFSA-N 2 1 337.508 1.604 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001034214190 709566721 /nfs/dbraw/zinc/56/67/21/709566721.db2.gz IFJMIPNKINCMAH-BFYDXBDKSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001034214190 709566723 /nfs/dbraw/zinc/56/67/23/709566723.db2.gz IFJMIPNKINCMAH-BFYDXBDKSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001034214190 709566725 /nfs/dbraw/zinc/56/67/25/709566725.db2.gz IFJMIPNKINCMAH-BFYDXBDKSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001034214190 709566726 /nfs/dbraw/zinc/56/67/26/709566726.db2.gz IFJMIPNKINCMAH-BFYDXBDKSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034215225 709568702 /nfs/dbraw/zinc/56/87/02/709568702.db2.gz XPZLPJRJYIHIGS-KBAYOESNSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034215225 709568703 /nfs/dbraw/zinc/56/87/03/709568703.db2.gz XPZLPJRJYIHIGS-KBAYOESNSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034215225 709568704 /nfs/dbraw/zinc/56/87/04/709568704.db2.gz XPZLPJRJYIHIGS-KBAYOESNSA-N 2 1 347.507 1.539 20 0 EDADMP O=C(N[C@H]1CCCC[N@H+](CCCO)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001034250350 709612799 /nfs/dbraw/zinc/61/27/99/709612799.db2.gz PVERQHQNEFUNKE-WMZOPIPTSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(N[C@H]1CCCC[NH+](CCCO)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001034250350 709612801 /nfs/dbraw/zinc/61/28/01/709612801.db2.gz PVERQHQNEFUNKE-WMZOPIPTSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(N[C@H]1CCCC[NH+](CCCO)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001034250350 709612805 /nfs/dbraw/zinc/61/28/05/709612805.db2.gz PVERQHQNEFUNKE-WMZOPIPTSA-N 2 1 337.508 1.747 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1C[NH+](CCC2CCOCC2)C1 ZINC001043885091 709654510 /nfs/dbraw/zinc/65/45/10/709654510.db2.gz IVIKZFVZAYHBDH-UHFFFAOYSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1C[NH+](CCC2CCOCC2)C1 ZINC001043885091 709654516 /nfs/dbraw/zinc/65/45/16/709654516.db2.gz IVIKZFVZAYHBDH-UHFFFAOYSA-N 2 1 337.508 1.678 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC000702601987 709699452 /nfs/dbraw/zinc/69/94/52/709699452.db2.gz FCHRDBQFZHWVOT-IGCXYCKISA-N 2 1 327.469 1.334 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC000702601987 709699454 /nfs/dbraw/zinc/69/94/54/709699454.db2.gz FCHRDBQFZHWVOT-IGCXYCKISA-N 2 1 327.469 1.334 20 0 EDADMP CC[C@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310309 709753709 /nfs/dbraw/zinc/75/37/09/709753709.db2.gz WGLHSWMIVXIODS-GDBMZVCRSA-N 2 1 343.431 1.183 20 0 EDADMP CC[C@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310309 709753710 /nfs/dbraw/zinc/75/37/10/709753710.db2.gz WGLHSWMIVXIODS-GDBMZVCRSA-N 2 1 343.431 1.183 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC001003008666 709792178 /nfs/dbraw/zinc/79/21/78/709792178.db2.gz RVYAAJFYDXBTTL-QGZVFWFLSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC001003008664 709792195 /nfs/dbraw/zinc/79/21/95/709792195.db2.gz RVYAAJFYDXBTTL-KRWDZBQOSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cnn(C)c3)C2)CC[N@H+]1C ZINC001034363318 709881047 /nfs/dbraw/zinc/88/10/47/709881047.db2.gz NLKJZSRZOUVFKV-RYQLBKOJSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cnn(C)c3)C2)CC[NH+]1C ZINC001034363318 709881053 /nfs/dbraw/zinc/88/10/53/709881053.db2.gz NLKJZSRZOUVFKV-RYQLBKOJSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cnn(C)c3)C2)CC[NH+]1C ZINC001034363318 709881061 /nfs/dbraw/zinc/88/10/61/709881061.db2.gz NLKJZSRZOUVFKV-RYQLBKOJSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](Cc2cncn2C)C1 ZINC001034396454 709935776 /nfs/dbraw/zinc/93/57/76/709935776.db2.gz GKKIQEBIIHSJIW-HZPDHXFCSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](Cc2cncn2C)C1 ZINC001034396454 709935779 /nfs/dbraw/zinc/93/57/79/709935779.db2.gz GKKIQEBIIHSJIW-HZPDHXFCSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cncn2C)C1 ZINC001034396454 709935780 /nfs/dbraw/zinc/93/57/80/709935780.db2.gz GKKIQEBIIHSJIW-HZPDHXFCSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cncn2C)C1 ZINC001034396454 709935782 /nfs/dbraw/zinc/93/57/82/709935782.db2.gz GKKIQEBIIHSJIW-HZPDHXFCSA-N 2 1 333.480 1.375 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034397295 709938098 /nfs/dbraw/zinc/93/80/98/709938098.db2.gz KBYZPCQHEXANLN-YJBOKZPZSA-N 2 1 343.487 1.552 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@H]2CCCC[N@H+](CCCO)C2)C1 ZINC001034397295 709938099 /nfs/dbraw/zinc/93/80/99/709938099.db2.gz KBYZPCQHEXANLN-YJBOKZPZSA-N 2 1 343.487 1.552 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)C1 ZINC001034397295 709938100 /nfs/dbraw/zinc/93/81/00/709938100.db2.gz KBYZPCQHEXANLN-YJBOKZPZSA-N 2 1 343.487 1.552 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](C[C@H]2CCOC2)CC1 ZINC001045438295 710027889 /nfs/dbraw/zinc/02/78/89/710027889.db2.gz OHJYIJJTFBFGOF-IAGOWNOFSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001045438296 710027967 /nfs/dbraw/zinc/02/79/67/710027967.db2.gz OHJYIJJTFBFGOF-IRXDYDNUSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003158939 710067540 /nfs/dbraw/zinc/06/75/40/710067540.db2.gz KFPGPBROTALBHZ-QGZVFWFLSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003158939 710067543 /nfs/dbraw/zinc/06/75/43/710067543.db2.gz KFPGPBROTALBHZ-QGZVFWFLSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1nocc1C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034490044 710107465 /nfs/dbraw/zinc/10/74/65/710107465.db2.gz IHRCXMNYXLGKPR-NVXWUHKLSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nocc1C[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034490044 710107470 /nfs/dbraw/zinc/10/74/70/710107470.db2.gz IHRCXMNYXLGKPR-NVXWUHKLSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nocc1C[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034490044 710107472 /nfs/dbraw/zinc/10/74/72/710107472.db2.gz IHRCXMNYXLGKPR-NVXWUHKLSA-N 2 1 334.464 1.796 20 0 EDADMP Cn1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490455 710109464 /nfs/dbraw/zinc/10/94/64/710109464.db2.gz LMYHIGDEKFWFKJ-DOTOQJQBSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1cc(C[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034490455 710109465 /nfs/dbraw/zinc/10/94/65/710109465.db2.gz LMYHIGDEKFWFKJ-DOTOQJQBSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1cc(C[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034490455 710109468 /nfs/dbraw/zinc/10/94/68/710109468.db2.gz LMYHIGDEKFWFKJ-DOTOQJQBSA-N 2 1 333.480 1.233 20 0 EDADMP CO[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034491620 710112371 /nfs/dbraw/zinc/11/23/71/710112371.db2.gz VHFXMRMVVAVHTO-LSDHHAIUSA-N 2 1 334.464 1.767 20 0 EDADMP CO[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034491620 710112373 /nfs/dbraw/zinc/11/23/73/710112373.db2.gz VHFXMRMVVAVHTO-LSDHHAIUSA-N 2 1 334.464 1.767 20 0 EDADMP Cc1cncc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001034525387 710175625 /nfs/dbraw/zinc/17/56/25/710175625.db2.gz LRPKGMFYFVWHBE-ZWKOTPCHSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1cncc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001034525387 710175626 /nfs/dbraw/zinc/17/56/26/710175626.db2.gz LRPKGMFYFVWHBE-ZWKOTPCHSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1cncc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001034525387 710175628 /nfs/dbraw/zinc/17/56/28/710175628.db2.gz LRPKGMFYFVWHBE-ZWKOTPCHSA-N 2 1 330.476 1.812 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CCc3ccns3)C2)C1 ZINC001034526090 710177623 /nfs/dbraw/zinc/17/76/23/710177623.db2.gz UAQISDRPZKQIDI-LSDHHAIUSA-N 2 1 336.505 1.608 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCc3ccns3)C2)C1 ZINC001034526090 710177624 /nfs/dbraw/zinc/17/76/24/710177624.db2.gz UAQISDRPZKQIDI-LSDHHAIUSA-N 2 1 336.505 1.608 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCc3ccns3)C2)C1 ZINC001034526090 710177627 /nfs/dbraw/zinc/17/76/27/710177627.db2.gz UAQISDRPZKQIDI-LSDHHAIUSA-N 2 1 336.505 1.608 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)sn1 ZINC001034526156 710177913 /nfs/dbraw/zinc/17/79/13/710177913.db2.gz VAFQIEDRHOXPSM-GJZGRUSLSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)sn1 ZINC001034526156 710177915 /nfs/dbraw/zinc/17/79/15/710177915.db2.gz VAFQIEDRHOXPSM-GJZGRUSLSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)sn1 ZINC001034526156 710177917 /nfs/dbraw/zinc/17/79/17/710177917.db2.gz VAFQIEDRHOXPSM-GJZGRUSLSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)sn1 ZINC001034526156 710177918 /nfs/dbraw/zinc/17/79/18/710177918.db2.gz VAFQIEDRHOXPSM-GJZGRUSLSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncccc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528113 710181548 /nfs/dbraw/zinc/18/15/48/710181548.db2.gz KHGYCWHTKYSJJZ-GOSISDBHSA-N 2 1 330.476 1.957 20 0 EDADMP C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544378 710217781 /nfs/dbraw/zinc/21/77/81/710217781.db2.gz QTFZEJFEKBRLFF-WBVHZDCISA-N 2 1 333.476 1.713 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(F)cc3)CC2)C1 ZINC001034614363 710289349 /nfs/dbraw/zinc/28/93/49/710289349.db2.gz NUZHDOCSNADKFU-KZNAEPCWSA-N 2 1 349.450 1.673 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(F)cc3)CC2)C1 ZINC001034614363 710289352 /nfs/dbraw/zinc/28/93/52/710289352.db2.gz NUZHDOCSNADKFU-KZNAEPCWSA-N 2 1 349.450 1.673 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)ncn1 ZINC001003493511 710376077 /nfs/dbraw/zinc/37/60/77/710376077.db2.gz VYWRVFONFISKNM-HOTGVXAUSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)ncn1 ZINC001003493511 710376079 /nfs/dbraw/zinc/37/60/79/710376079.db2.gz VYWRVFONFISKNM-HOTGVXAUSA-N 2 1 345.491 1.596 20 0 EDADMP O=C(NC1CC[NH+](CCCO)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001003495354 710380894 /nfs/dbraw/zinc/38/08/94/710380894.db2.gz WMVFDGCDOJKITH-SFHVURJKSA-N 2 1 337.508 1.747 20 0 EDADMP CCOC1CC(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001003626689 710448600 /nfs/dbraw/zinc/44/86/00/710448600.db2.gz UUYNPRRELQVSFS-KLHKWILBSA-N 2 1 337.508 1.724 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003627656 710457987 /nfs/dbraw/zinc/45/79/87/710457987.db2.gz IPVDWBJDGGYYRL-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003627656 710457989 /nfs/dbraw/zinc/45/79/89/710457989.db2.gz IPVDWBJDGGYYRL-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP CCc1onc(C)c1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003630828 710460092 /nfs/dbraw/zinc/46/00/92/710460092.db2.gz OIZVCIJASGZHOZ-CQSZACIVSA-N 2 1 348.491 1.968 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CCO[C@H]3CC3(F)F)CC2)C1 ZINC001003631913 710460628 /nfs/dbraw/zinc/46/06/28/710460628.db2.gz WTRXCHRVVLDWIB-HIFRSBDPSA-N 2 1 345.434 1.333 20 0 EDADMP Cc1ncccc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003633233 710461150 /nfs/dbraw/zinc/46/11/50/710461150.db2.gz CRNVLZIQXFEYMC-KBXCAEBGSA-N 2 1 330.476 1.668 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnnn2C)CC1 ZINC001034658810 710587561 /nfs/dbraw/zinc/58/75/61/710587561.db2.gz HUWPJSXTSFQGOS-ZOBUZTSGSA-N 2 1 348.495 1.207 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001005641061 710801971 /nfs/dbraw/zinc/80/19/71/710801971.db2.gz WOGROLKKCVSDDM-NVXWUHKLSA-N 2 1 325.497 1.410 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC001034734270 710915650 /nfs/dbraw/zinc/91/56/50/710915650.db2.gz LXWVXVZXBNFFHA-XRGAULLZSA-N 2 1 349.479 1.798 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001034736228 710923037 /nfs/dbraw/zinc/92/30/37/710923037.db2.gz TVEBWXCYVICGTI-BRWVUGGUSA-N 2 1 347.507 1.904 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034737571 710950031 /nfs/dbraw/zinc/95/00/31/710950031.db2.gz MUBPCPZGWWTQMI-QBPKDAKJSA-N 2 1 347.507 1.618 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnns3)CC2)C1 ZINC001034776641 711053415 /nfs/dbraw/zinc/05/34/15/711053415.db2.gz VVLLOGQGIVCKPJ-IHRRRGAJSA-N 2 1 337.493 1.397 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034778547 711081685 /nfs/dbraw/zinc/08/16/85/711081685.db2.gz JTTYIJWILUMLAL-RBSFLKMASA-N 2 1 335.452 1.237 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034778547 711081690 /nfs/dbraw/zinc/08/16/90/711081690.db2.gz JTTYIJWILUMLAL-RBSFLKMASA-N 2 1 335.452 1.237 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC001034779068 711083190 /nfs/dbraw/zinc/08/31/90/711083190.db2.gz NWDMXULPAQKMLD-JYJNAYRXSA-N 2 1 334.464 1.842 20 0 EDADMP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1)C(N)=O ZINC001034795938 711115736 /nfs/dbraw/zinc/11/57/36/711115736.db2.gz YSPITEHSZQMYDB-VGWMRTNUSA-N 2 1 338.496 1.142 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)sn1 ZINC001034793245 711122278 /nfs/dbraw/zinc/12/22/78/711122278.db2.gz VDGSZTHWVQPZSW-KKUMJFAQSA-N 2 1 336.505 1.920 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034793581 711123621 /nfs/dbraw/zinc/12/36/21/711123621.db2.gz IUKOZCLIINLUOS-SHTZXODSSA-N 2 1 330.436 1.142 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nonc2C)CC1 ZINC001034796504 711127801 /nfs/dbraw/zinc/12/78/01/711127801.db2.gz HUPIGLPDPBQYKB-ZOBUZTSGSA-N 2 1 349.479 1.769 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)C1 ZINC001003974791 711134670 /nfs/dbraw/zinc/13/46/70/711134670.db2.gz KDGLNNRSBPKENY-UKRRQHHQSA-N 2 1 345.434 1.333 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CCc3ccns3)CC2)C1 ZINC001003977946 711152337 /nfs/dbraw/zinc/15/23/37/711152337.db2.gz ZXDZNUIHWBXGIU-AWEZNQCLSA-N 2 1 336.505 1.608 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001003976282 711175686 /nfs/dbraw/zinc/17/56/86/711175686.db2.gz PQHBIRFVCHNRJQ-DOTOQJQBSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)nc1 ZINC001034958088 711431117 /nfs/dbraw/zinc/43/11/17/711431117.db2.gz ZNGSCAHWONABNS-MRXNPFEDSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)nc1 ZINC001034958088 711431119 /nfs/dbraw/zinc/43/11/19/711431119.db2.gz ZNGSCAHWONABNS-MRXNPFEDSA-N 2 1 331.464 1.350 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001034958853 711432766 /nfs/dbraw/zinc/43/27/66/711432766.db2.gz MNDBQNYQCLSDMC-SJLPKXTDSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001034939444 711441628 /nfs/dbraw/zinc/44/16/28/711441628.db2.gz ANQKXOOILKPFFQ-XNRPHZJLSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1nnsc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034939539 711442229 /nfs/dbraw/zinc/44/22/29/711442229.db2.gz FPWLKIJIJARLJY-MGPQQGTHSA-N 2 1 337.493 1.267 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc1 ZINC001034939907 711443107 /nfs/dbraw/zinc/44/31/07/711443107.db2.gz QVCZQLLZLRJXBK-BZUAXINKSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nc1 ZINC001034939907 711443111 /nfs/dbraw/zinc/44/31/11/711443111.db2.gz QVCZQLLZLRJXBK-BZUAXINKSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)nc1 ZINC001034972225 711451875 /nfs/dbraw/zinc/45/18/75/711451875.db2.gz CVHVIPLTBCOSQX-CVEARBPZSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)nc1 ZINC001034972225 711451879 /nfs/dbraw/zinc/45/18/79/711451879.db2.gz CVHVIPLTBCOSQX-CVEARBPZSA-N 2 1 331.464 1.350 20 0 EDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000922419951 711494064 /nfs/dbraw/zinc/49/40/64/711494064.db2.gz XHCMTSQROGWZAV-UHFFFAOYSA-N 2 1 325.478 1.841 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CCN(Cc3c(F)cccc3F)CC2)C1 ZINC001004145080 711553578 /nfs/dbraw/zinc/55/35/78/711553578.db2.gz SJPYJUFDERFFEF-CYBMUJFWSA-N 2 1 337.414 1.997 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)cn1 ZINC001004147206 711558671 /nfs/dbraw/zinc/55/86/71/711558671.db2.gz FINKEGOOOCSRTR-UHFFFAOYSA-N 2 1 332.448 1.267 20 0 EDADMP Cc1cccc(OCC[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001004150795 711566609 /nfs/dbraw/zinc/56/66/09/711566609.db2.gz UHMTYNUGPFJLCS-KRWDZBQOSA-N 2 1 345.487 1.906 20 0 EDADMP O=C([C@@H]1CCCc2nccn21)N1CC[C@H]2C[N@@H+](CCF)C[C@H]2CC1 ZINC000946623337 711922888 /nfs/dbraw/zinc/92/28/88/711922888.db2.gz IDYMJEYAJUBXSE-XHSDSOJGSA-N 2 1 334.439 1.900 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[C@H]2C[N@H+](CCF)C[C@H]2CC1 ZINC000946623337 711922889 /nfs/dbraw/zinc/92/28/89/711922889.db2.gz IDYMJEYAJUBXSE-XHSDSOJGSA-N 2 1 334.439 1.900 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[C@H]2C[N@@H+](CCF)C[C@H]2CC1 ZINC000946623337 711922890 /nfs/dbraw/zinc/92/28/90/711922890.db2.gz IDYMJEYAJUBXSE-XHSDSOJGSA-N 2 1 334.439 1.900 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1)[NH+]1CCOCC1 ZINC000365096685 282251212 /nfs/dbraw/zinc/25/12/12/282251212.db2.gz WTJDZRXWPORSBF-YQVWRLOYSA-N 2 1 337.508 1.853 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCCOCC2)[C@@H]1c1ccccc1 ZINC000187342433 529795384 /nfs/dbraw/zinc/79/53/84/529795384.db2.gz OLFSPTPKFSNWLA-MSOLQXFVSA-N 2 1 346.475 1.453 20 0 EDADMP C[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CCCOCC2)[C@@H]1c1ccccc1 ZINC000187342433 529795385 /nfs/dbraw/zinc/79/53/85/529795385.db2.gz OLFSPTPKFSNWLA-MSOLQXFVSA-N 2 1 346.475 1.453 20 0 EDADMP C[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CCCOCC2)[C@@H]1c1ccccc1 ZINC000187342433 529795387 /nfs/dbraw/zinc/79/53/87/529795387.db2.gz OLFSPTPKFSNWLA-MSOLQXFVSA-N 2 1 346.475 1.453 20 0 EDADMP CN1C(=O)CCc2cc(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)ccc21 ZINC000187229282 530043087 /nfs/dbraw/zinc/04/30/87/530043087.db2.gz FQAWTMLXRRXCTK-GOSISDBHSA-N 2 1 345.487 1.922 20 0 EDADMP C[NH+](C)CCOc1ccc(CN2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000093394713 539505937 /nfs/dbraw/zinc/50/59/37/539505937.db2.gz BHAJUNIAQZFPHX-UHFFFAOYSA-N 2 1 349.519 1.906 20 0 EDADMP CC(C)[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066895207 215092821 /nfs/dbraw/zinc/09/28/21/215092821.db2.gz AAQOAPWXXZWKJE-OAGGEKHMSA-N 2 1 327.513 1.824 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000560961108 306281233 /nfs/dbraw/zinc/28/12/33/306281233.db2.gz XXMCEBIHRFCKOA-CQSZACIVSA-N 2 1 346.475 1.978 20 0 EDADMP C[NH+](C)CCCCC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000561612297 306289504 /nfs/dbraw/zinc/28/95/04/306289504.db2.gz VYZSPOBZXWLOFI-SFHVURJKSA-N 2 1 333.476 1.601 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563270838 306325802 /nfs/dbraw/zinc/32/58/02/306325802.db2.gz BZKLZZYNJROHQV-LJQANCHMSA-N 3 1 340.556 1.085 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2c[nH+]ccc2N(C)C)C[C@H](C)O1 ZINC000183601800 235158193 /nfs/dbraw/zinc/15/81/93/235158193.db2.gz MOAHDFZQWJEVDW-GASCZTMLSA-N 2 1 334.464 1.767 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000563333519 306327762 /nfs/dbraw/zinc/32/77/62/306327762.db2.gz CLOPRCKTKSVBMJ-XLIONFOSSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000563333519 306327763 /nfs/dbraw/zinc/32/77/63/306327763.db2.gz CLOPRCKTKSVBMJ-XLIONFOSSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000563333518 306327908 /nfs/dbraw/zinc/32/79/08/306327908.db2.gz CLOPRCKTKSVBMJ-PXNSSMCTSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000563333518 306327909 /nfs/dbraw/zinc/32/79/09/306327909.db2.gz CLOPRCKTKSVBMJ-PXNSSMCTSA-N 2 1 345.487 1.736 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCC(CC[NH3+])CC3)cc2)CC1 ZINC000563339661 306328310 /nfs/dbraw/zinc/32/83/10/306328310.db2.gz WKXSYNSMCZGJJT-UHFFFAOYSA-N 2 1 344.503 1.635 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)CCO1 ZINC000184227940 235340909 /nfs/dbraw/zinc/34/09/09/235340909.db2.gz ZJGGQPDUQKEWBL-INIZCTEOSA-N 2 1 337.508 1.997 20 0 EDADMP O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000104959800 138300838 /nfs/dbraw/zinc/30/08/38/138300838.db2.gz CFXNSQIQGZTMBE-MRXNPFEDSA-N 2 1 336.480 1.516 20 0 EDADMP O=C1CNC(=O)N1CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000104959800 138300839 /nfs/dbraw/zinc/30/08/39/138300839.db2.gz CFXNSQIQGZTMBE-MRXNPFEDSA-N 2 1 336.480 1.516 20 0 EDADMP CN(CC(C)(C)C[NH3+])C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000563585341 306340052 /nfs/dbraw/zinc/34/00/52/306340052.db2.gz RLRYMWUROIJMEV-LSDHHAIUSA-N 2 1 326.485 1.256 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)C2 ZINC000114751184 138310448 /nfs/dbraw/zinc/31/04/48/138310448.db2.gz FFXKUEYPPOLMMS-DZGCQCFKSA-N 2 1 330.407 1.940 20 0 EDADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000123798295 138321357 /nfs/dbraw/zinc/32/13/57/138321357.db2.gz PILSOVLNVIVJTJ-QGZVFWFLSA-N 2 1 340.512 1.520 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000123798295 138321358 /nfs/dbraw/zinc/32/13/58/138321358.db2.gz PILSOVLNVIVJTJ-QGZVFWFLSA-N 2 1 340.512 1.520 20 0 EDADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)CC[N@@H+]1C ZINC000123983472 138322765 /nfs/dbraw/zinc/32/27/65/138322765.db2.gz ARAVGWLULBEGML-XJKSGUPXSA-N 2 1 332.448 1.529 20 0 EDADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)CC[N@H+]1C ZINC000123983472 138322766 /nfs/dbraw/zinc/32/27/66/138322766.db2.gz ARAVGWLULBEGML-XJKSGUPXSA-N 2 1 332.448 1.529 20 0 EDADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)CC[NH+]1C ZINC000123983472 138322767 /nfs/dbraw/zinc/32/27/67/138322767.db2.gz ARAVGWLULBEGML-XJKSGUPXSA-N 2 1 332.448 1.529 20 0 EDADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)CC[NH+]1C ZINC000123983472 138322768 /nfs/dbraw/zinc/32/27/68/138322768.db2.gz ARAVGWLULBEGML-XJKSGUPXSA-N 2 1 332.448 1.529 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000563614464 306342065 /nfs/dbraw/zinc/34/20/65/306342065.db2.gz UKLLNZHELCIJQC-YESZJQIVSA-N 2 1 331.464 1.754 20 0 EDADMP CCS(=O)(=O)NCCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000132648885 138380123 /nfs/dbraw/zinc/38/01/23/138380123.db2.gz FXBBPYNOSWYAMV-UHFFFAOYSA-N 2 1 328.482 1.004 20 0 EDADMP CCOCC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000563805218 306347638 /nfs/dbraw/zinc/34/76/38/306347638.db2.gz CYFJPXZPTRKUKP-QGZVFWFLSA-N 2 1 339.480 1.881 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000410064807 291135992 /nfs/dbraw/zinc/13/59/92/291135992.db2.gz ZKDJOVSFUPETGM-YESZJQIVSA-N 2 1 338.496 1.223 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000343446769 283348953 /nfs/dbraw/zinc/34/89/53/283348953.db2.gz MCOTXIHVZMKZAD-YOEHRIQHSA-N 2 1 334.439 1.849 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000343446769 283348954 /nfs/dbraw/zinc/34/89/54/283348954.db2.gz MCOTXIHVZMKZAD-YOEHRIQHSA-N 2 1 334.439 1.849 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000413831522 304079078 /nfs/dbraw/zinc/07/90/78/304079078.db2.gz HGOHJRXFCJXKJO-HNNXBMFYSA-N 2 1 336.505 1.712 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000413831522 304079079 /nfs/dbraw/zinc/07/90/79/304079079.db2.gz HGOHJRXFCJXKJO-HNNXBMFYSA-N 2 1 336.505 1.712 20 0 EDADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000564644908 306361703 /nfs/dbraw/zinc/36/17/03/306361703.db2.gz OREQVIJGDIEVDM-HOTGVXAUSA-N 2 1 331.464 1.516 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000565206466 306378286 /nfs/dbraw/zinc/37/82/86/306378286.db2.gz FXJSRIKNQBVTGT-QGZVFWFLSA-N 2 1 327.432 1.231 20 0 EDADMP CCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000414699189 304129537 /nfs/dbraw/zinc/12/95/37/304129537.db2.gz JMWATJGVORHINR-CYGHRXIMSA-N 2 1 337.508 1.709 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)C1 ZINC000414703679 304130268 /nfs/dbraw/zinc/13/02/68/304130268.db2.gz MNCUNVTXIQQDNU-SJORKVTESA-N 2 1 333.451 1.887 20 0 EDADMP CCOc1ccnc(N2CCC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)n1 ZINC000414709048 304130703 /nfs/dbraw/zinc/13/07/03/304130703.db2.gz OMNPJISPWFRHDA-CVEARBPZSA-N 2 1 333.480 1.776 20 0 EDADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OCC(=O)N1CCCC1 ZINC000414796207 304141599 /nfs/dbraw/zinc/14/15/99/304141599.db2.gz NWKUPFKDQXVDIE-MRXNPFEDSA-N 2 1 349.475 1.769 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000415062417 304155820 /nfs/dbraw/zinc/15/58/20/304155820.db2.gz MILHECMREXZDBO-HZPDHXFCSA-N 2 1 345.447 1.010 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000415062417 304155822 /nfs/dbraw/zinc/15/58/22/304155822.db2.gz MILHECMREXZDBO-HZPDHXFCSA-N 2 1 345.447 1.010 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000415065688 304156391 /nfs/dbraw/zinc/15/63/91/304156391.db2.gz SACZHXWVDSMISY-CVEARBPZSA-N 2 1 345.447 1.010 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000415065688 304156393 /nfs/dbraw/zinc/15/63/93/304156393.db2.gz SACZHXWVDSMISY-CVEARBPZSA-N 2 1 345.447 1.010 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000101640770 204016701 /nfs/dbraw/zinc/01/67/01/204016701.db2.gz DEDOGBPOSJDQAQ-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000101640770 204016705 /nfs/dbraw/zinc/01/67/05/204016705.db2.gz DEDOGBPOSJDQAQ-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cn1 ZINC000105168616 204136860 /nfs/dbraw/zinc/13/68/60/204136860.db2.gz MTRZBLPVPMZSJB-CYBMUJFWSA-N 2 1 342.447 1.858 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cn1 ZINC000105168616 204136865 /nfs/dbraw/zinc/13/68/65/204136865.db2.gz MTRZBLPVPMZSJB-CYBMUJFWSA-N 2 1 342.447 1.858 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000415137691 304162882 /nfs/dbraw/zinc/16/28/82/304162882.db2.gz JBTAYNJEGVDRGZ-JKSUJKDBSA-N 2 1 334.489 1.777 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000415137476 304162917 /nfs/dbraw/zinc/16/29/17/304162917.db2.gz JBTAYNJEGVDRGZ-CVEARBPZSA-N 2 1 334.489 1.777 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000152472051 204330219 /nfs/dbraw/zinc/33/02/19/204330219.db2.gz XZVLPDNFAAJVJY-BBWFWOEESA-N 2 1 343.512 1.205 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000152472051 204330225 /nfs/dbraw/zinc/33/02/25/204330225.db2.gz XZVLPDNFAAJVJY-BBWFWOEESA-N 2 1 343.512 1.205 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000152472051 204330228 /nfs/dbraw/zinc/33/02/28/204330228.db2.gz XZVLPDNFAAJVJY-BBWFWOEESA-N 2 1 343.512 1.205 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000152472051 204330233 /nfs/dbraw/zinc/33/02/33/204330233.db2.gz XZVLPDNFAAJVJY-BBWFWOEESA-N 2 1 343.512 1.205 20 0 EDADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000195217154 139010482 /nfs/dbraw/zinc/01/04/82/139010482.db2.gz GLYPXQNQLCVMFY-MOPGFXCFSA-N 2 1 349.519 1.964 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000444382998 296176416 /nfs/dbraw/zinc/17/64/16/296176416.db2.gz QTSWQCSXBDYNFG-CVEARBPZSA-N 2 1 325.497 1.555 20 0 EDADMP COc1cc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc(OC)c1O ZINC000415146137 304164943 /nfs/dbraw/zinc/16/49/43/304164943.db2.gz YGRNVZVDDWOWHF-CABCVRRESA-N 2 1 348.443 1.610 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC000415152785 304166254 /nfs/dbraw/zinc/16/62/54/304166254.db2.gz SMFYQWWEZLGXJG-CABCVRRESA-N 2 1 346.475 1.676 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC000415152785 304166255 /nfs/dbraw/zinc/16/62/55/304166255.db2.gz SMFYQWWEZLGXJG-CABCVRRESA-N 2 1 346.475 1.676 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000236744049 139030224 /nfs/dbraw/zinc/03/02/24/139030224.db2.gz WPOPZOLECBIUTG-QGZVFWFLSA-N 2 1 336.455 1.581 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000236805322 139031875 /nfs/dbraw/zinc/03/18/75/139031875.db2.gz DIPALCFNRXWEAI-MRXNPFEDSA-N 2 1 325.497 1.581 20 0 EDADMP CC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000236960252 139036609 /nfs/dbraw/zinc/03/66/09/139036609.db2.gz UYGDQDHMDFXLTE-CVEARBPZSA-N 2 1 332.448 1.529 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000237348239 139048832 /nfs/dbraw/zinc/04/88/32/139048832.db2.gz CLPDSWQFVWDMIV-MJGOQNOKSA-N 2 1 344.503 1.533 20 0 EDADMP C[C@@H]1C[C@@H](NCc2ccccc2S(=O)(=O)N(C)C)CC[N@H+]1C ZINC000129856307 205213859 /nfs/dbraw/zinc/21/38/59/205213859.db2.gz UUFUBBAITARCOU-HIFRSBDPSA-N 2 1 325.478 1.509 20 0 EDADMP C[C@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000237565877 139054265 /nfs/dbraw/zinc/05/42/65/139054265.db2.gz SNDOHTFZDMOXMT-LPHOPBHVSA-N 2 1 346.519 1.712 20 0 EDADMP [NH3+]C1CCC(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000237793709 139060437 /nfs/dbraw/zinc/06/04/37/139060437.db2.gz COWBKMOOZOYEQN-UHFFFAOYSA-N 2 1 330.476 1.190 20 0 EDADMP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000237900982 139063244 /nfs/dbraw/zinc/06/32/44/139063244.db2.gz PADCBKPCGICDQW-ROUUACIJSA-N 2 1 331.460 1.536 20 0 EDADMP [NH3+]C[C@H]1CCCCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237947692 139064657 /nfs/dbraw/zinc/06/46/57/139064657.db2.gz MXVVVDJIWPNEHI-QZTJIDSGSA-N 2 1 331.460 1.617 20 0 EDADMP [NH3+]C[C@H]1CCCCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237947692 139064658 /nfs/dbraw/zinc/06/46/58/139064658.db2.gz MXVVVDJIWPNEHI-QZTJIDSGSA-N 2 1 331.460 1.617 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000111817996 220198558 /nfs/dbraw/zinc/19/85/58/220198558.db2.gz MQEYHMCIEFWFHN-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000111817996 220198561 /nfs/dbraw/zinc/19/85/61/220198561.db2.gz MQEYHMCIEFWFHN-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000111817996 220198563 /nfs/dbraw/zinc/19/85/63/220198563.db2.gz MQEYHMCIEFWFHN-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000567636223 306457461 /nfs/dbraw/zinc/45/74/61/306457461.db2.gz NYKUURYAZMAZHN-INIZCTEOSA-N 2 1 338.496 1.271 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000238095613 139069070 /nfs/dbraw/zinc/06/90/70/139069070.db2.gz MOTADGSTHIXYJT-KRWDZBQOSA-N 2 1 349.500 1.595 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000111866552 220214056 /nfs/dbraw/zinc/21/40/56/220214056.db2.gz CZHFTDPTFZJBBZ-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP COC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000158233792 206180835 /nfs/dbraw/zinc/18/08/35/206180835.db2.gz IILLUBPHGLJKJW-DLBZAZTESA-N 2 1 347.459 1.291 20 0 EDADMP COC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000158233792 206180838 /nfs/dbraw/zinc/18/08/38/206180838.db2.gz IILLUBPHGLJKJW-DLBZAZTESA-N 2 1 347.459 1.291 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000159118611 206226690 /nfs/dbraw/zinc/22/66/90/206226690.db2.gz GPKMMYKSBIAIRZ-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[C@H](CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000246526012 139111904 /nfs/dbraw/zinc/11/19/04/139111904.db2.gz RQKJPJAUJNELPJ-ULQDDVLXSA-N 2 1 325.497 1.485 20 0 EDADMP CSC[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000246525626 139111867 /nfs/dbraw/zinc/11/18/67/139111867.db2.gz ABZHMQIAJYUYSE-JKSUJKDBSA-N 2 1 343.537 1.287 20 0 EDADMP CSC[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000246525626 139111868 /nfs/dbraw/zinc/11/18/68/139111868.db2.gz ABZHMQIAJYUYSE-JKSUJKDBSA-N 2 1 343.537 1.287 20 0 EDADMP CSC[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000246525626 139111869 /nfs/dbraw/zinc/11/18/69/139111869.db2.gz ABZHMQIAJYUYSE-JKSUJKDBSA-N 2 1 343.537 1.287 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCCn1ccnc1 ZINC000246858337 139124507 /nfs/dbraw/zinc/12/45/07/139124507.db2.gz DUGOGJGJLUACSL-NVXWUHKLSA-N 2 1 342.447 1.488 20 0 EDADMP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])c2C1 ZINC000415376823 304208085 /nfs/dbraw/zinc/20/80/85/304208085.db2.gz NICRNWXICNPPBG-UONOGXRCSA-N 2 1 346.475 1.839 20 0 EDADMP C[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000247392816 139147164 /nfs/dbraw/zinc/14/71/64/139147164.db2.gz QJLIELPWBHDVPG-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000247392816 139147165 /nfs/dbraw/zinc/14/71/65/139147165.db2.gz QJLIELPWBHDVPG-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP C[N@H+](CCOc1ccc(F)cc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000247995481 139156891 /nfs/dbraw/zinc/15/68/91/139156891.db2.gz MOQMMKGXOGJVSL-UHFFFAOYSA-N 2 1 349.450 1.879 20 0 EDADMP C[N@@H+](CCOc1ccc(F)cc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000247995481 139156892 /nfs/dbraw/zinc/15/68/92/139156892.db2.gz MOQMMKGXOGJVSL-UHFFFAOYSA-N 2 1 349.450 1.879 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@H]12 ZINC000248645014 139169831 /nfs/dbraw/zinc/16/98/31/139169831.db2.gz SDODFKUBLLKYCB-XMTFNYHQSA-N 2 1 329.444 1.083 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@H]12 ZINC000248645014 139169832 /nfs/dbraw/zinc/16/98/32/139169832.db2.gz SDODFKUBLLKYCB-XMTFNYHQSA-N 2 1 329.444 1.083 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C[C@H]1CCCOC1)c1ccccc1 ZINC000249271857 139189852 /nfs/dbraw/zinc/18/98/52/139189852.db2.gz BMMKVVVGNDIQNU-SJLPKXTDSA-N 2 1 333.476 1.764 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000249490649 139194022 /nfs/dbraw/zinc/19/40/22/139194022.db2.gz VFJFVRQRHJEMOQ-KVPLUYHFSA-N 2 1 342.487 1.990 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000249410448 139193009 /nfs/dbraw/zinc/19/30/09/139193009.db2.gz FAILNAPYPNXBGM-BZSNNMDCSA-N 2 1 339.524 1.972 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000249410448 139193010 /nfs/dbraw/zinc/19/30/10/139193010.db2.gz FAILNAPYPNXBGM-BZSNNMDCSA-N 2 1 339.524 1.972 20 0 EDADMP C[C@@H](NC(=O)C1(C[NH3+])CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261560690 139209088 /nfs/dbraw/zinc/20/90/88/139209088.db2.gz FKEHHKMKEHTCSW-SJLPKXTDSA-N 2 1 345.487 1.769 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261629662 139212730 /nfs/dbraw/zinc/21/27/30/139212730.db2.gz HEXPPOHRRBHZCC-FUHWJXTLSA-N 2 1 331.460 1.775 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000261833093 139230003 /nfs/dbraw/zinc/23/00/03/139230003.db2.gz XWSXJGCISGWRPL-GFCCVEGCSA-N 2 1 334.445 1.690 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000261833093 139230004 /nfs/dbraw/zinc/23/00/04/139230004.db2.gz XWSXJGCISGWRPL-GFCCVEGCSA-N 2 1 334.445 1.690 20 0 EDADMP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc(N2CCCC2)n1 ZINC000261887932 139234162 /nfs/dbraw/zinc/23/41/62/139234162.db2.gz GAUWFCAROBUGJJ-KZNAEPCWSA-N 2 1 330.476 1.929 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000261968625 139240654 /nfs/dbraw/zinc/24/06/54/139240654.db2.gz IAJOULZCSYESNE-KRWDZBQOSA-N 2 1 342.447 1.087 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CN1c1ccccc1 ZINC000262003021 139243094 /nfs/dbraw/zinc/24/30/94/139243094.db2.gz UTIGNJRSDKYLJG-OWLYRPNTSA-N 2 1 329.444 1.539 20 0 EDADMP C[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000262029611 139245126 /nfs/dbraw/zinc/24/51/26/139245126.db2.gz JQIHJZJEFMTAOG-IBGZPJMESA-N 2 1 345.487 1.736 20 0 EDADMP C[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000262029611 139245127 /nfs/dbraw/zinc/24/51/27/139245127.db2.gz JQIHJZJEFMTAOG-IBGZPJMESA-N 2 1 345.487 1.736 20 0 EDADMP O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262027524 139244857 /nfs/dbraw/zinc/24/48/57/139244857.db2.gz XDYRFVQXUADTRV-KZNAEPCWSA-N 2 1 347.459 1.631 20 0 EDADMP c1nc(-c2ccccn2)sc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262074402 139248665 /nfs/dbraw/zinc/24/86/65/139248665.db2.gz CZVCIURZNQBFBC-CQSZACIVSA-N 2 1 329.473 1.685 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417000011 251125522 /nfs/dbraw/zinc/12/55/22/251125522.db2.gz CTPQPUFSANLBNU-HXUWFJFHSA-N 2 1 342.487 1.830 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417171317 251144829 /nfs/dbraw/zinc/14/48/29/251144829.db2.gz GLYKCYIXVJTBLJ-SFHVURJKSA-N 2 1 348.491 1.691 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417171834 251145193 /nfs/dbraw/zinc/14/51/93/251145193.db2.gz JVYHBZAFIQGWEZ-LBPRGKRZSA-N 2 1 340.418 1.918 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417256002 251149937 /nfs/dbraw/zinc/14/99/37/251149937.db2.gz QSKKQMVPKDQOOP-XJFOESAGSA-N 2 1 332.439 1.649 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262360471 139273078 /nfs/dbraw/zinc/27/30/78/139273078.db2.gz VCWAZLYJDJLXJS-BFJAYTPKSA-N 2 1 337.489 1.624 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262360471 139273079 /nfs/dbraw/zinc/27/30/79/139273079.db2.gz VCWAZLYJDJLXJS-BFJAYTPKSA-N 2 1 337.489 1.624 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417552250 251186815 /nfs/dbraw/zinc/18/68/15/251186815.db2.gz QICFOHFRWOENNX-GOSISDBHSA-N 2 1 347.507 1.981 20 0 EDADMP COCC1(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000262382376 139274814 /nfs/dbraw/zinc/27/48/14/139274814.db2.gz NZRYTMWQYAISIY-AEFFLSMTSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000417579527 251195691 /nfs/dbraw/zinc/19/56/91/251195691.db2.gz AUYLZPCCMCHSTI-LSDHHAIUSA-N 2 1 326.485 1.256 20 0 EDADMP CO[C@@H]1CCN(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000417578135 251196507 /nfs/dbraw/zinc/19/65/07/251196507.db2.gz KYLYSHXQQODKLO-BPQIPLTHSA-N 2 1 348.491 1.655 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417694745 251231096 /nfs/dbraw/zinc/23/10/96/251231096.db2.gz DTTRTOCNMIHYJB-INIZCTEOSA-N 2 1 340.512 1.790 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000262430986 139278624 /nfs/dbraw/zinc/27/86/24/139278624.db2.gz DYNCAUVPLGOQIM-CQSZACIVSA-N 2 1 336.455 1.695 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000417873903 251308537 /nfs/dbraw/zinc/30/85/37/251308537.db2.gz MJDRQRJNDTXFAG-YSHGAJCASA-N 2 1 342.487 1.900 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC2([NH3+])CCCCCC2)CCCO1 ZINC000418112148 251326472 /nfs/dbraw/zinc/32/64/72/251326472.db2.gz HVMRKRMJEMJNEV-MRXNPFEDSA-N 2 1 340.512 1.838 20 0 EDADMP CCC[C@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418113854 251326764 /nfs/dbraw/zinc/32/67/64/251326764.db2.gz KFMXLSRGPRNCRW-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000418122877 251334564 /nfs/dbraw/zinc/33/45/64/251334564.db2.gz YCXYPKQQRDNBAZ-GJZGRUSLSA-N 2 1 329.448 1.463 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000418437475 251370670 /nfs/dbraw/zinc/37/06/70/251370670.db2.gz CYBWWKYVFHHDGF-INIZCTEOSA-N 2 1 336.484 1.155 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000418437475 251370674 /nfs/dbraw/zinc/37/06/74/251370674.db2.gz CYBWWKYVFHHDGF-INIZCTEOSA-N 2 1 336.484 1.155 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC([NH3+])(CC)CC ZINC000418436566 251370994 /nfs/dbraw/zinc/37/09/94/251370994.db2.gz IQALXAINAHQDPT-INIZCTEOSA-N 3 1 341.544 1.561 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@@H]1CC ZINC000418345187 251362068 /nfs/dbraw/zinc/36/20/68/251362068.db2.gz LFLURJNCDQMBCL-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000418710963 251392406 /nfs/dbraw/zinc/39/24/06/251392406.db2.gz FGPDWMKPFFLCJZ-XUWVNRHRSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000418710963 251392409 /nfs/dbraw/zinc/39/24/09/251392409.db2.gz FGPDWMKPFFLCJZ-XUWVNRHRSA-N 2 1 326.485 1.255 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418714545 251393925 /nfs/dbraw/zinc/39/39/25/251393925.db2.gz YQTLOLWHPNWAGP-UXLLHSPISA-N 2 1 340.512 1.645 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000262577908 139287913 /nfs/dbraw/zinc/28/79/13/139287913.db2.gz KMRAJCUBUJJZCN-UHOSZYNNSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000262577908 139287914 /nfs/dbraw/zinc/28/79/14/139287914.db2.gz KMRAJCUBUJJZCN-UHOSZYNNSA-N 2 1 345.487 1.863 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000262707967 139297914 /nfs/dbraw/zinc/29/79/14/139297914.db2.gz DRKPXOVGZIFHAY-JKSUJKDBSA-N 2 1 333.480 1.658 20 0 EDADMP C[C@H]([NH3+])CCC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000262705018 139297522 /nfs/dbraw/zinc/29/75/22/139297522.db2.gz BKKVIGKGGYEYPU-KRWDZBQOSA-N 2 1 332.492 1.438 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000420354924 251696759 /nfs/dbraw/zinc/69/67/59/251696759.db2.gz DNOCHRLFQAYQDQ-AWEZNQCLSA-N 2 1 341.402 1.882 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@H]2CSCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000262798754 139304461 /nfs/dbraw/zinc/30/44/61/139304461.db2.gz OSCXJLOPQACOFC-OIISXLGYSA-N 2 1 333.501 1.861 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262822145 139306084 /nfs/dbraw/zinc/30/60/84/139306084.db2.gz RFVXJSHHMWXHNF-HNNXBMFYSA-N 2 1 330.436 1.523 20 0 EDADMP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C[C@H](C[NH3+])OC)CC2)c1 ZINC000262869992 139309288 /nfs/dbraw/zinc/30/92/88/139309288.db2.gz MFQMLHCVGRHIRO-WMLDXEAASA-N 2 1 335.448 1.264 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422865776 252005517 /nfs/dbraw/zinc/00/55/17/252005517.db2.gz ZBYPDGOYIFZODT-HOTGVXAUSA-N 2 1 326.462 1.719 20 0 EDADMP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000422896762 252015536 /nfs/dbraw/zinc/01/55/36/252015536.db2.gz AXJMIQYOOULAQS-UWVAXJGDSA-N 2 1 347.503 1.764 20 0 EDADMP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000422896762 252015538 /nfs/dbraw/zinc/01/55/38/252015538.db2.gz AXJMIQYOOULAQS-UWVAXJGDSA-N 2 1 347.503 1.764 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000423783782 252071756 /nfs/dbraw/zinc/07/17/56/252071756.db2.gz QDABEHOWVWOGTL-FHLIZLRMSA-N 2 1 331.460 1.377 20 0 EDADMP C[N@H+](CC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)Cc1ccccc1 ZINC000424004567 252112579 /nfs/dbraw/zinc/11/25/79/252112579.db2.gz BLYKSWRJOSFBKM-OALUTQOASA-N 2 1 345.487 1.863 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)Cc1ccccc1 ZINC000424004567 252112584 /nfs/dbraw/zinc/11/25/84/252112584.db2.gz BLYKSWRJOSFBKM-OALUTQOASA-N 2 1 345.487 1.863 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000424043638 252123908 /nfs/dbraw/zinc/12/39/08/252123908.db2.gz NOVFBLBOFXEOKM-MGMWPHTOSA-N 2 1 335.492 1.365 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424148033 252142869 /nfs/dbraw/zinc/14/28/69/252142869.db2.gz SUNZZBSPSOFWSJ-CABCVRRESA-N 2 1 334.468 1.007 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000424439700 252231899 /nfs/dbraw/zinc/23/18/99/252231899.db2.gz OSODKHXUXPTFPK-UKRRQHHQSA-N 2 1 346.475 1.629 20 0 EDADMP CCCOc1c(Cl)cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000263128083 139323902 /nfs/dbraw/zinc/32/39/02/139323902.db2.gz BKPLRKZESRXKQM-GXTWGEPZSA-N 2 1 328.840 1.807 20 0 EDADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263200622 139327996 /nfs/dbraw/zinc/32/79/96/139327996.db2.gz IZWOULASHIGFEB-DYVFJYSZSA-N 2 1 334.851 1.812 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249143348 296389426 /nfs/dbraw/zinc/38/94/26/296389426.db2.gz WSVIRVKAASOREE-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249143348 296389429 /nfs/dbraw/zinc/38/94/29/296389429.db2.gz WSVIRVKAASOREE-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249143348 296389430 /nfs/dbraw/zinc/38/94/30/296389430.db2.gz WSVIRVKAASOREE-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(CC2CC2)nn1 ZINC000449827754 254648091 /nfs/dbraw/zinc/64/80/91/254648091.db2.gz VHTWLOJIGNNKAS-INIZCTEOSA-N 2 1 348.495 1.176 20 0 EDADMP C[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000488746370 255052297 /nfs/dbraw/zinc/05/22/97/255052297.db2.gz FWPCRHNPOGYHBC-QFBILLFUSA-N 2 1 345.487 1.601 20 0 EDADMP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000494287697 255244305 /nfs/dbraw/zinc/24/43/05/255244305.db2.gz LROYRVYKNUWFLN-INIZCTEOSA-N 2 1 337.464 1.005 20 0 EDADMP CN(C[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1)C(=O)OC(C)(C)C ZINC000496345745 255384373 /nfs/dbraw/zinc/38/43/73/255384373.db2.gz NYRASDNFIGXVOT-OAHLLOKOSA-N 2 1 327.469 1.431 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000417748393 285320683 /nfs/dbraw/zinc/32/06/83/285320683.db2.gz IDLTZWPCTPFMHN-BBWFWOEESA-N 2 1 339.528 1.029 20 0 EDADMP C[C@H](CNC(=O)NCC[N@H+]1CCc2ccccc2C1)[NH+](C)C1CC1 ZINC000264278135 139392858 /nfs/dbraw/zinc/39/28/58/139392858.db2.gz QWFGVEDFLBQFHO-OAHLLOKOSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCc2ccccc2C1)[N@H+](C)C1CC1 ZINC000264278135 139392859 /nfs/dbraw/zinc/39/28/59/139392859.db2.gz QWFGVEDFLBQFHO-OAHLLOKOSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000264278135 139392860 /nfs/dbraw/zinc/39/28/60/139392860.db2.gz QWFGVEDFLBQFHO-OAHLLOKOSA-N 2 1 330.476 1.827 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2CO)CC1 ZINC000264287336 139393718 /nfs/dbraw/zinc/39/37/18/139393718.db2.gz QHXOKTINVYSRTA-LJQANCHMSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000264287336 139393719 /nfs/dbraw/zinc/39/37/19/139393719.db2.gz QHXOKTINVYSRTA-LJQANCHMSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000264287336 139393720 /nfs/dbraw/zinc/39/37/20/139393720.db2.gz QHXOKTINVYSRTA-LJQANCHMSA-N 2 1 345.487 1.486 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000571760401 306573876 /nfs/dbraw/zinc/57/38/76/306573876.db2.gz ZWVLRARAVILSQN-MRXNPFEDSA-N 2 1 327.432 1.075 20 0 EDADMP COc1cccc([C@@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)[NH+](C)C)c1 ZINC000272070494 140395712 /nfs/dbraw/zinc/39/57/12/140395712.db2.gz JNBLUWCJHQANIR-GOSISDBHSA-N 2 1 346.475 1.859 20 0 EDADMP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000331369067 141012544 /nfs/dbraw/zinc/01/25/44/141012544.db2.gz CJNLGYBYJMJDKK-GFCCVEGCSA-N 2 1 343.880 1.561 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000333414871 141314144 /nfs/dbraw/zinc/31/41/44/141314144.db2.gz RUEXVUORORFGAE-QXSJWSMHSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000333414871 141314146 /nfs/dbraw/zinc/31/41/46/141314146.db2.gz RUEXVUORORFGAE-QXSJWSMHSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000333635595 141348385 /nfs/dbraw/zinc/34/83/85/141348385.db2.gz HGRJCGRMCKGTQK-FMKPAKJESA-N 2 1 334.468 1.163 20 0 EDADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000333635595 141348386 /nfs/dbraw/zinc/34/83/86/141348386.db2.gz HGRJCGRMCKGTQK-FMKPAKJESA-N 2 1 334.468 1.163 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+](C)[C@H]2CCSC2)CC[N@H+](C2CCC2)C1 ZINC000344717971 143002453 /nfs/dbraw/zinc/00/24/53/143002453.db2.gz CEWTXVHJEIIILC-ZBFHGGJFSA-N 2 1 325.522 1.757 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC[NH+](C2CCC2)C1 ZINC000344717971 143002454 /nfs/dbraw/zinc/00/24/54/143002454.db2.gz CEWTXVHJEIIILC-ZBFHGGJFSA-N 2 1 325.522 1.757 20 0 EDADMP C[C@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC[NH+](C2CCC2)C1 ZINC000344717971 143002455 /nfs/dbraw/zinc/00/24/55/143002455.db2.gz CEWTXVHJEIIILC-ZBFHGGJFSA-N 2 1 325.522 1.757 20 0 EDADMP C[C@@H](CCNC(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CCCCC1 ZINC000345620233 143113008 /nfs/dbraw/zinc/11/30/08/143113008.db2.gz DLOJIOFJMSAIQG-AWEZNQCLSA-N 2 1 336.484 1.550 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NC2CC[NH+](CCOC)CC2)C[C@@H]1C ZINC000345739110 143127466 /nfs/dbraw/zinc/12/74/66/143127466.db2.gz NIAMJLQABPVHOW-LSDHHAIUSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000345764981 143130854 /nfs/dbraw/zinc/13/08/54/143130854.db2.gz LTNWSOIMIDYPCU-UHFFFAOYSA-N 2 1 328.416 1.555 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CCC[N@H+]1C ZINC000345788084 143133534 /nfs/dbraw/zinc/13/35/34/143133534.db2.gz QVVBHIXIXMOCMJ-NVXWUHKLSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CCC[NH+]1C ZINC000345788084 143133535 /nfs/dbraw/zinc/13/35/35/143133535.db2.gz QVVBHIXIXMOCMJ-NVXWUHKLSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CCC[NH+]1C ZINC000345788084 143133536 /nfs/dbraw/zinc/13/35/36/143133536.db2.gz QVVBHIXIXMOCMJ-NVXWUHKLSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000345788084 143133537 /nfs/dbraw/zinc/13/35/37/143133537.db2.gz QVVBHIXIXMOCMJ-NVXWUHKLSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000345788084 143133538 /nfs/dbraw/zinc/13/35/38/143133538.db2.gz QVVBHIXIXMOCMJ-NVXWUHKLSA-N 2 1 339.528 1.137 20 0 EDADMP CC[C@H]1CN(Cc2cn(-c3cc[nH+]cc3)nc2C)CC[N@H+]1C[C@H](C)O ZINC000346227927 143181129 /nfs/dbraw/zinc/18/11/29/143181129.db2.gz YQWIYPRNILXRIL-YJBOKZPZSA-N 2 1 343.475 1.853 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@H]3CC[N@H+](CC)C[C@H]3C)C2)nc1 ZINC000346835148 143250207 /nfs/dbraw/zinc/25/02/07/143250207.db2.gz OMULUQVMBXHMEB-PBHICJAKSA-N 2 1 346.475 1.767 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@H]3CC[N@@H+](CC)C[C@H]3C)C2)nc1 ZINC000346835148 143250208 /nfs/dbraw/zinc/25/02/08/143250208.db2.gz OMULUQVMBXHMEB-PBHICJAKSA-N 2 1 346.475 1.767 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1)N1CC[NH2+]CC1 ZINC000347025442 143273140 /nfs/dbraw/zinc/27/31/40/143273140.db2.gz SENNYYYZXSLOCB-INIZCTEOSA-N 2 1 327.432 1.207 20 0 EDADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)o1 ZINC000347183518 143292256 /nfs/dbraw/zinc/29/22/56/143292256.db2.gz XLDDOMKNRRYOGA-CQSZACIVSA-N 2 1 349.431 1.100 20 0 EDADMP CCOC(=O)COCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000347739152 143356565 /nfs/dbraw/zinc/35/65/65/143356565.db2.gz OVELZPDBMTVSAQ-CALCHBBNSA-N 2 1 341.496 1.057 20 0 EDADMP CCOC(=O)COCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000347739152 143356566 /nfs/dbraw/zinc/35/65/66/143356566.db2.gz OVELZPDBMTVSAQ-CALCHBBNSA-N 2 1 341.496 1.057 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000369884996 155218276 /nfs/dbraw/zinc/21/82/76/155218276.db2.gz VFGJOSJCFCFFLH-OAHLLOKOSA-N 2 1 333.480 1.865 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000416863890 304353245 /nfs/dbraw/zinc/35/32/45/304353245.db2.gz HJDRWZBWUJZZLA-ZBFHGGJFSA-N 2 1 326.485 1.112 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](CO)C2)CC1 ZINC000352749253 149149164 /nfs/dbraw/zinc/14/91/64/149149164.db2.gz AIDSDCTVVSHDML-QGZVFWFLSA-N 2 1 345.487 1.390 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc(N(C)C)s2)CC1 ZINC000353350957 149376847 /nfs/dbraw/zinc/37/68/47/149376847.db2.gz MFQGSMVVVDHHKG-CYBMUJFWSA-N 2 1 326.510 1.734 20 0 EDADMP CC(C)(C)OCCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000355302594 150206904 /nfs/dbraw/zinc/20/69/04/150206904.db2.gz CBQBBOLRGZRFLG-UHFFFAOYSA-N 2 1 328.497 1.741 20 0 EDADMP CC[N@@H+]1CC[C@H]2OCCN(C(=O)C[NH+](C)Cc3ccccc3)[C@H]2C1 ZINC000355368067 150238295 /nfs/dbraw/zinc/23/82/95/150238295.db2.gz KJSNPXQNOAGDSX-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)C[NH+](C)Cc3ccccc3)[C@H]2C1 ZINC000355368067 150238298 /nfs/dbraw/zinc/23/82/98/150238298.db2.gz KJSNPXQNOAGDSX-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000355368067 150238301 /nfs/dbraw/zinc/23/83/01/150238301.db2.gz KJSNPXQNOAGDSX-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000355368067 150238303 /nfs/dbraw/zinc/23/83/03/150238303.db2.gz KJSNPXQNOAGDSX-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCC[N@H+](C)CC2)CC1 ZINC000355578403 150322476 /nfs/dbraw/zinc/32/24/76/150322476.db2.gz SGOMIBQACIJXFQ-SFHVURJKSA-N 2 1 344.503 1.529 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCC[N@@H+](C)CC2)CC1 ZINC000355578403 150322479 /nfs/dbraw/zinc/32/24/79/150322479.db2.gz SGOMIBQACIJXFQ-SFHVURJKSA-N 2 1 344.503 1.529 20 0 EDADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@@H](C)C[NH2+]1 ZINC000417038057 304364580 /nfs/dbraw/zinc/36/45/80/304364580.db2.gz UJOKFCUYJFSDHH-CVEARBPZSA-N 2 1 330.476 1.827 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417042328 304365333 /nfs/dbraw/zinc/36/53/33/304365333.db2.gz NRYASKMJZVBZEO-CVEARBPZSA-N 2 1 333.480 1.104 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417044674 304366008 /nfs/dbraw/zinc/36/60/08/304366008.db2.gz NIJFGWICQILFGV-UONOGXRCSA-N 2 1 332.439 1.937 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)NCCC[NH+]1CCOCC1)C(C)C ZINC000357044460 150902215 /nfs/dbraw/zinc/90/22/15/150902215.db2.gz PMXCECDAUSJETF-UHFFFAOYSA-N 2 1 328.501 1.469 20 0 EDADMP [NH3+]CC[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000357391364 151016662 /nfs/dbraw/zinc/01/66/62/151016662.db2.gz ORAROSNGEPLYJD-IBGZPJMESA-N 2 1 344.503 1.534 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC1(SC)CC[NH+](C)CC1)C1CC1 ZINC000357730770 151128753 /nfs/dbraw/zinc/12/87/53/151128753.db2.gz OLSBWDMGRWOVJZ-UHFFFAOYSA-N 2 1 328.526 1.597 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000357950374 151206971 /nfs/dbraw/zinc/20/69/71/151206971.db2.gz BZPZQTDECQQQEP-GDBMZVCRSA-N 2 1 330.542 1.843 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000358167453 151293895 /nfs/dbraw/zinc/29/38/95/151293895.db2.gz MNXYWUAMCBZBJS-JFIYKMOQSA-N 2 1 331.460 1.596 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000358167453 151293898 /nfs/dbraw/zinc/29/38/98/151293898.db2.gz MNXYWUAMCBZBJS-JFIYKMOQSA-N 2 1 331.460 1.596 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000358290794 151328118 /nfs/dbraw/zinc/32/81/18/151328118.db2.gz IJGDBVCFIGGKSI-IXDOHACOSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000358290794 151328119 /nfs/dbraw/zinc/32/81/19/151328119.db2.gz IJGDBVCFIGGKSI-IXDOHACOSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000358290794 151328120 /nfs/dbraw/zinc/32/81/20/151328120.db2.gz IJGDBVCFIGGKSI-IXDOHACOSA-N 2 1 340.512 1.347 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358508666 151399686 /nfs/dbraw/zinc/39/96/86/151399686.db2.gz LQGROLBKHIQEJZ-UHFFFAOYSA-N 2 1 331.460 1.525 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000417112640 304373625 /nfs/dbraw/zinc/37/36/25/304373625.db2.gz LNVSULOAVYSTHN-PMPSAXMXSA-N 2 1 348.491 1.703 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000360509447 152074216 /nfs/dbraw/zinc/07/42/16/152074216.db2.gz XTIFBSWYXVKBTM-INIZCTEOSA-N 2 1 345.491 1.583 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360659582 152142096 /nfs/dbraw/zinc/14/20/96/152142096.db2.gz YXGJLKIKFIJAFP-ZBFHGGJFSA-N 2 1 328.526 1.597 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)[C@H](C)C1 ZINC000360793096 152207140 /nfs/dbraw/zinc/20/71/40/152207140.db2.gz CSMZCFKQSWCOTA-ZACQAIPSSA-N 2 1 342.528 1.763 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000351475808 286311643 /nfs/dbraw/zinc/31/16/43/286311643.db2.gz JIMMCBPRRBMWML-ARLBYUKCSA-N 2 1 347.459 1.378 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000351475808 286311644 /nfs/dbraw/zinc/31/16/44/286311644.db2.gz JIMMCBPRRBMWML-ARLBYUKCSA-N 2 1 347.459 1.378 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1c1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000361264649 152348611 /nfs/dbraw/zinc/34/86/11/152348611.db2.gz JJSYXJRMIPNLFA-ZIAGYGMSSA-N 2 1 342.447 1.549 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[C@H]1[NH3+] ZINC000417176817 304380778 /nfs/dbraw/zinc/38/07/78/304380778.db2.gz LHIXXIOSOJEGTN-CRAIPNDOSA-N 2 1 346.475 1.398 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C[C@@H]1N1CCOCC1 ZINC000363751944 153046416 /nfs/dbraw/zinc/04/64/16/153046416.db2.gz BANZRDOLDOYLOW-INMHGKMJSA-N 2 1 338.496 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000363751944 153046419 /nfs/dbraw/zinc/04/64/19/153046419.db2.gz BANZRDOLDOYLOW-INMHGKMJSA-N 2 1 338.496 1.221 20 0 EDADMP CN(C(=O)N[C@@H]1CCSC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363820291 153065695 /nfs/dbraw/zinc/06/56/95/153065695.db2.gz MUJIKIYVBDRBKO-HIFRSBDPSA-N 2 1 326.510 1.302 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000364311320 153202716 /nfs/dbraw/zinc/20/27/16/153202716.db2.gz AOUFJCUHCWYFOS-MRXNPFEDSA-N 2 1 325.497 1.868 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000364311320 153202717 /nfs/dbraw/zinc/20/27/17/153202717.db2.gz AOUFJCUHCWYFOS-MRXNPFEDSA-N 2 1 325.497 1.868 20 0 EDADMP CC1CCN(C(=O)C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000364350005 153212376 /nfs/dbraw/zinc/21/23/76/153212376.db2.gz ZYJGQKGGCWDIHT-FGTMMUONSA-N 2 1 337.508 1.724 20 0 EDADMP CC1CCN(C(=O)C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000364350005 153212379 /nfs/dbraw/zinc/21/23/79/153212379.db2.gz ZYJGQKGGCWDIHT-FGTMMUONSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H](O)COC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000367195497 154037014 /nfs/dbraw/zinc/03/70/14/154037014.db2.gz NCLAQOUHXODIAF-IAGOWNOFSA-N 2 1 326.481 1.889 20 0 EDADMP C[C@@H](O)COC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000367195497 154037016 /nfs/dbraw/zinc/03/70/16/154037016.db2.gz NCLAQOUHXODIAF-IAGOWNOFSA-N 2 1 326.481 1.889 20 0 EDADMP CN1CCO[C@@H](C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000367201066 154039774 /nfs/dbraw/zinc/03/97/74/154039774.db2.gz QYDDWHIHRSSEFC-MJGOQNOKSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000367201066 154039776 /nfs/dbraw/zinc/03/97/76/154039776.db2.gz QYDDWHIHRSSEFC-MJGOQNOKSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000367201066 154039779 /nfs/dbraw/zinc/03/97/79/154039779.db2.gz QYDDWHIHRSSEFC-MJGOQNOKSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000367201066 154039781 /nfs/dbraw/zinc/03/97/81/154039781.db2.gz QYDDWHIHRSSEFC-MJGOQNOKSA-N 2 1 331.460 1.345 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000367475807 154140918 /nfs/dbraw/zinc/14/09/18/154140918.db2.gz RPYSAUUXLIGLAS-UHFFFAOYSA-N 2 1 348.491 1.911 20 0 EDADMP Cc1nc2n(c1CN1CCN(CCC(=O)NC(C)C)CC1)CCCC2 ZINC000367888358 154312876 /nfs/dbraw/zinc/31/28/76/154312876.db2.gz XNQWMHPWGFFLOW-UHFFFAOYSA-N 2 1 347.507 1.560 20 0 EDADMP CCOCCNC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367886822 154313188 /nfs/dbraw/zinc/31/31/88/154313188.db2.gz QYNMIESWBLASIC-UHFFFAOYSA-N 2 1 334.464 1.383 20 0 EDADMP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371704356 156069673 /nfs/dbraw/zinc/06/96/73/156069673.db2.gz VNTMUBITRICLDJ-MSOLQXFVSA-N 2 1 339.524 1.924 20 0 EDADMP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371704356 156069677 /nfs/dbraw/zinc/06/96/77/156069677.db2.gz VNTMUBITRICLDJ-MSOLQXFVSA-N 2 1 339.524 1.924 20 0 EDADMP CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000372037556 156219695 /nfs/dbraw/zinc/21/96/95/156219695.db2.gz NCMREBLZWWQOKC-HNNXBMFYSA-N 2 1 344.459 1.166 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH+]3CCCC[C@H]3CO2)C[N@@H+]1C1CC1 ZINC000372343029 156343083 /nfs/dbraw/zinc/34/30/83/156343083.db2.gz AJEXAKVTPUKSTM-OHFALNGGSA-N 2 1 336.480 1.164 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH+]3CCCC[C@H]3CO2)C[N@H+]1C1CC1 ZINC000372343029 156343087 /nfs/dbraw/zinc/34/30/87/156343087.db2.gz AJEXAKVTPUKSTM-OHFALNGGSA-N 2 1 336.480 1.164 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)C[NH+]1C1CC1 ZINC000372343029 156343089 /nfs/dbraw/zinc/34/30/89/156343089.db2.gz AJEXAKVTPUKSTM-OHFALNGGSA-N 2 1 336.480 1.164 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)C[NH+]1C1CC1 ZINC000372343029 156343095 /nfs/dbraw/zinc/34/30/95/156343095.db2.gz AJEXAKVTPUKSTM-OHFALNGGSA-N 2 1 336.480 1.164 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1)C1CC1 ZINC000372381954 156362150 /nfs/dbraw/zinc/36/21/50/156362150.db2.gz AJMJIMTZZLMALC-MSOLQXFVSA-N 2 1 346.475 1.015 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C1CC1 ZINC000372381954 156362156 /nfs/dbraw/zinc/36/21/56/156362156.db2.gz AJMJIMTZZLMALC-MSOLQXFVSA-N 2 1 346.475 1.015 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000373919509 157063702 /nfs/dbraw/zinc/06/37/02/157063702.db2.gz IFSJSISRWFPXAP-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP CC(C)COCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000374334511 157250198 /nfs/dbraw/zinc/25/01/98/157250198.db2.gz VTQBTFJAJGQNIP-UHFFFAOYSA-N 2 1 325.497 1.535 20 0 EDADMP CN1CCN(C(=O)C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)CC1 ZINC000374728788 157379639 /nfs/dbraw/zinc/37/96/39/157379639.db2.gz UVYIKVURHQJERT-INIZCTEOSA-N 2 1 327.432 1.057 20 0 EDADMP CN1CCN(C(=O)CN2CC[C@H](n3ncc4ccccc43)C2)CC1 ZINC000374728788 157379642 /nfs/dbraw/zinc/37/96/42/157379642.db2.gz UVYIKVURHQJERT-INIZCTEOSA-N 2 1 327.432 1.057 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000378204038 158107930 /nfs/dbraw/zinc/10/79/30/158107930.db2.gz KNDWCKAREVVARA-IKGGRYGDSA-N 2 1 325.497 1.901 20 0 EDADMP CC[C@@H](C)[C@H](O)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378305338 158134713 /nfs/dbraw/zinc/13/47/13/158134713.db2.gz BNHGRKGYOFYSAY-QAPCUYQASA-N 2 1 339.524 1.706 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)[C@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000378413719 158167480 /nfs/dbraw/zinc/16/74/80/158167480.db2.gz GWBXTGPPZUBRIT-KRWDZBQOSA-N 2 1 348.491 1.691 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000378413719 158167482 /nfs/dbraw/zinc/16/74/82/158167482.db2.gz GWBXTGPPZUBRIT-KRWDZBQOSA-N 2 1 348.491 1.691 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000352149955 162014307 /nfs/dbraw/zinc/01/43/07/162014307.db2.gz VPLGLHFBSRCGAN-HUUCEWRRSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H](C)O1 ZINC000352421275 162173231 /nfs/dbraw/zinc/17/32/31/162173231.db2.gz CFGCVDLFZLTWOI-INMHGKMJSA-N 2 1 337.508 1.865 20 0 EDADMP c1cc(OC[C@H]2CCCO2)ccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352488113 162208375 /nfs/dbraw/zinc/20/83/75/162208375.db2.gz MIKDQIHYXKECAV-AZUAARDMSA-N 2 1 345.487 1.724 20 0 EDADMP Cc1n[nH]cc1CCCNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364231779 162321163 /nfs/dbraw/zinc/32/11/63/162321163.db2.gz QUIGDRCOFWYVTQ-INIZCTEOSA-N 2 1 348.495 1.118 20 0 EDADMP Cc1n[nH]cc1CCCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364231779 162321166 /nfs/dbraw/zinc/32/11/66/162321166.db2.gz QUIGDRCOFWYVTQ-INIZCTEOSA-N 2 1 348.495 1.118 20 0 EDADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000063467186 287238298 /nfs/dbraw/zinc/23/82/98/287238298.db2.gz SLZAYUZXKSDVTG-QGZVFWFLSA-N 2 1 332.492 1.654 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000063467186 287238300 /nfs/dbraw/zinc/23/83/00/287238300.db2.gz SLZAYUZXKSDVTG-QGZVFWFLSA-N 2 1 332.492 1.654 20 0 EDADMP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)CN1CC[NH+](C)CC1 ZINC000073641409 287262316 /nfs/dbraw/zinc/26/23/16/287262316.db2.gz QYILLTKXXPRZDQ-MRXNPFEDSA-N 2 1 332.492 1.362 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000073827307 287265262 /nfs/dbraw/zinc/26/52/62/287265262.db2.gz CTKVVEXLDOSALS-JKSUJKDBSA-N 2 1 328.501 1.374 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000073827307 287265263 /nfs/dbraw/zinc/26/52/63/287265263.db2.gz CTKVVEXLDOSALS-JKSUJKDBSA-N 2 1 328.501 1.374 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000073827307 287265266 /nfs/dbraw/zinc/26/52/66/287265266.db2.gz CTKVVEXLDOSALS-JKSUJKDBSA-N 2 1 328.501 1.374 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000418293007 304475829 /nfs/dbraw/zinc/47/58/29/304475829.db2.gz ZGNQUHCWTXUVEI-INIZCTEOSA-N 2 1 348.495 1.087 20 0 EDADMP C[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000121950329 287376379 /nfs/dbraw/zinc/37/63/79/287376379.db2.gz UQCWDCPKSSNCPW-KLAILNCOSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C[C@@H](C)O1 ZINC000261984267 296941778 /nfs/dbraw/zinc/94/17/78/296941778.db2.gz RYOVRQTVXQRMSE-UYTYNIKBSA-N 2 1 339.524 1.621 20 0 EDADMP [NH3+]C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000238074055 273014218 /nfs/dbraw/zinc/01/42/18/273014218.db2.gz HZYOTFOCXJLCSF-RDJZCZTQSA-N 2 1 333.501 1.974 20 0 EDADMP C[N@H+](CCc1ccc(Br)cc1)CCN1CC[NH2+]CC1 ZINC000258917707 273016974 /nfs/dbraw/zinc/01/69/74/273016974.db2.gz NEZJRRAITQVUOY-UHFFFAOYSA-N 2 1 326.282 1.829 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273033667 273025072 /nfs/dbraw/zinc/02/50/72/273025072.db2.gz FADMLEQVZKSJEB-WMZOPIPTSA-N 2 1 331.460 1.345 20 0 EDADMP CCCC[N@@H+](CCCO)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000274671065 268180298 /nfs/dbraw/zinc/18/02/98/268180298.db2.gz SLFUKRBRKXBEFW-GOSISDBHSA-N 2 1 335.492 1.890 20 0 EDADMP COC(=O)CNC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274814382 268212412 /nfs/dbraw/zinc/21/24/12/268212412.db2.gz IMLTUFVIEKGJGI-RDJZCZTQSA-N 2 1 347.459 1.166 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000274919048 268238310 /nfs/dbraw/zinc/23/83/10/268238310.db2.gz JBIUNGRTCZVIEQ-YJBOKZPZSA-N 2 1 347.503 1.689 20 0 EDADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H]1COc2ccccc2O1 ZINC000275309894 268319438 /nfs/dbraw/zinc/31/94/38/268319438.db2.gz RJDPXAZBWNRXML-INIZCTEOSA-N 2 1 347.459 1.312 20 0 EDADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H]1COc2ccccc2O1 ZINC000275309894 268319439 /nfs/dbraw/zinc/31/94/39/268319439.db2.gz RJDPXAZBWNRXML-INIZCTEOSA-N 2 1 347.459 1.312 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000273666531 273050875 /nfs/dbraw/zinc/05/08/75/273050875.db2.gz YRFNFOAAYHHOOE-UHFFFAOYSA-N 2 1 332.448 1.522 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274193819 273076443 /nfs/dbraw/zinc/07/64/43/273076443.db2.gz GJCYYZNQVRHUMX-SCTDSRPQSA-N 2 1 345.487 1.591 20 0 EDADMP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351851 274193678 /nfs/dbraw/zinc/19/36/78/274193678.db2.gz XVPZFCJYPPWOTM-WMZOPIPTSA-N 2 1 342.487 1.334 20 0 EDADMP CCN1CCO[C@H](C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)C1 ZINC000372541881 276211618 /nfs/dbraw/zinc/21/16/18/276211618.db2.gz AKAWXCGMRAGIRX-IBGZPJMESA-N 2 1 338.540 1.201 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)[C@H]2CCC[C@H]21 ZINC000353596378 277171836 /nfs/dbraw/zinc/17/18/36/277171836.db2.gz QHNRLOSRMKKTGG-LUYZLQTOSA-N 2 1 331.464 1.007 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C[C@H]1C ZINC000186133696 277223919 /nfs/dbraw/zinc/22/39/19/277223919.db2.gz INRSIFZRSJDHLU-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP COCC[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C[C@H]1C ZINC000186133696 277223921 /nfs/dbraw/zinc/22/39/21/277223921.db2.gz INRSIFZRSJDHLU-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CC(=O)NC4CC[NH+](C5CC5)CC4)[C@H]1[C@H]3C2 ZINC000352676858 277316147 /nfs/dbraw/zinc/31/61/47/277316147.db2.gz URKQKGBSNNTQFK-IENPJVBLSA-N 2 1 333.476 1.085 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417025438 278244339 /nfs/dbraw/zinc/24/43/39/278244339.db2.gz RCLWRNLRDYXARG-FUHWJXTLSA-N 2 1 347.507 1.259 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000417025438 278244340 /nfs/dbraw/zinc/24/43/40/278244340.db2.gz RCLWRNLRDYXARG-FUHWJXTLSA-N 2 1 347.507 1.259 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000417025438 278244342 /nfs/dbraw/zinc/24/43/42/278244342.db2.gz RCLWRNLRDYXARG-FUHWJXTLSA-N 2 1 347.507 1.259 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[N@@H+](C)C1CC1 ZINC000105169889 278275311 /nfs/dbraw/zinc/27/53/11/278275311.db2.gz LWGXNGSPEKDBNA-RDJZCZTQSA-N 2 1 332.492 1.941 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(C)c2nccs2)CC1 ZINC000264286500 278395173 /nfs/dbraw/zinc/39/51/73/278395173.db2.gz KWUFIHPQLHLVLU-CYBMUJFWSA-N 2 1 340.493 1.131 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N(C)c2nccs2)CC1 ZINC000264286500 278395174 /nfs/dbraw/zinc/39/51/74/278395174.db2.gz KWUFIHPQLHLVLU-CYBMUJFWSA-N 2 1 340.493 1.131 20 0 EDADMP CC[NH+](CC)CC1CC[NH+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000336881721 279092737 /nfs/dbraw/zinc/09/27/37/279092737.db2.gz UJVZETHZSHBCOU-KRWDZBQOSA-N 2 1 333.480 1.579 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2CC[NH+](C)[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000362291611 279204771 /nfs/dbraw/zinc/20/47/71/279204771.db2.gz WOYWEDPGGYDHSP-SZVBFZGTSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2CC[NH+](C)[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000362291611 279204772 /nfs/dbraw/zinc/20/47/72/279204772.db2.gz WOYWEDPGGYDHSP-SZVBFZGTSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000362291611 279204775 /nfs/dbraw/zinc/20/47/75/279204775.db2.gz WOYWEDPGGYDHSP-SZVBFZGTSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000362291611 279204778 /nfs/dbraw/zinc/20/47/78/279204778.db2.gz WOYWEDPGGYDHSP-SZVBFZGTSA-N 2 1 327.472 1.986 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000343374850 279356404 /nfs/dbraw/zinc/35/64/04/279356404.db2.gz UTOVTVUYFIEHLL-IEBWSBKVSA-N 2 1 349.523 1.505 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000417753070 279358608 /nfs/dbraw/zinc/35/86/08/279358608.db2.gz NXFZEMCVYNMXKI-DLBZAZTESA-N 2 1 341.544 1.275 20 0 EDADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000343862326 279361712 /nfs/dbraw/zinc/36/17/12/279361712.db2.gz OHVMDSCXDMCZHB-IXDOHACOSA-N 2 1 339.528 1.042 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000343862326 279361714 /nfs/dbraw/zinc/36/17/14/279361714.db2.gz OHVMDSCXDMCZHB-IXDOHACOSA-N 2 1 339.528 1.042 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000343862326 279361717 /nfs/dbraw/zinc/36/17/17/279361717.db2.gz OHVMDSCXDMCZHB-IXDOHACOSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000342341749 288126813 /nfs/dbraw/zinc/12/68/13/288126813.db2.gz CBRLHQMMCIRYTN-DJIMGWMZSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000268139993 288130499 /nfs/dbraw/zinc/13/04/99/288130499.db2.gz QSGHNYVZHPCUFP-HHXXYDBFSA-N 2 1 344.503 1.941 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000357652878 280247746 /nfs/dbraw/zinc/24/77/46/280247746.db2.gz RHSAPBRYHUWSFC-CVEARBPZSA-N 2 1 328.501 1.371 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000357652878 280247749 /nfs/dbraw/zinc/24/77/49/280247749.db2.gz RHSAPBRYHUWSFC-CVEARBPZSA-N 2 1 328.501 1.371 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000354016290 280322736 /nfs/dbraw/zinc/32/27/36/280322736.db2.gz YOQADPUGFPQREU-RDJZCZTQSA-N 2 1 325.497 1.770 20 0 EDADMP CC[C@@H]1CN(C(=O)c2cccn2C2CC[NH2+]CC2)CC[N@H+]1C[C@@H](C)O ZINC000168008210 280390608 /nfs/dbraw/zinc/39/06/08/280390608.db2.gz MREKRBZYKSKVJP-HZPDHXFCSA-N 2 1 348.491 1.330 20 0 EDADMP CC1(C)CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000333880783 281171444 /nfs/dbraw/zinc/17/14/44/281171444.db2.gz DKJNYOASXSKABJ-UHFFFAOYSA-N 2 1 338.496 1.415 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342086800 281213203 /nfs/dbraw/zinc/21/32/03/281213203.db2.gz ONFBVBIAPYLANZ-BZSNNMDCSA-N 2 1 345.487 1.858 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342086800 281213204 /nfs/dbraw/zinc/21/32/04/281213204.db2.gz ONFBVBIAPYLANZ-BZSNNMDCSA-N 2 1 345.487 1.858 20 0 EDADMP O=C(CC[C@H]1CCC[NH2+]1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000292200949 289287379 /nfs/dbraw/zinc/28/73/79/289287379.db2.gz YDNJKFCTSQEXBN-QGZVFWFLSA-N 2 1 348.466 1.596 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCSC1 ZINC000360754280 289341514 /nfs/dbraw/zinc/34/15/14/289341514.db2.gz LRNZAOVKLKMUDV-GDBMZVCRSA-N 2 1 326.510 1.303 20 0 EDADMP COC[C@]1(CNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCC[NH2+]1 ZINC000357280935 293292226 /nfs/dbraw/zinc/29/22/26/293292226.db2.gz ACAZJVCCDAKEPT-XLMAVXFVSA-N 2 1 341.496 1.005 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@H](C)O1 ZINC000333641229 297015455 /nfs/dbraw/zinc/01/54/55/297015455.db2.gz IHHBVMJMQOTRSN-BPKGMFCQSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@H](C)O1 ZINC000333641229 297015457 /nfs/dbraw/zinc/01/54/57/297015457.db2.gz IHHBVMJMQOTRSN-BPKGMFCQSA-N 2 1 338.496 1.410 20 0 EDADMP COc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c(OC)c1 ZINC000261929035 295128994 /nfs/dbraw/zinc/12/89/94/295128994.db2.gz CNBYANZAJOIHGX-HNNXBMFYSA-N 2 1 335.448 1.523 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423413975 297095331 /nfs/dbraw/zinc/09/53/31/297095331.db2.gz BJOKJNXSSICYCK-QLFBSQMISA-N 2 1 331.464 1.196 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3C[C@@H](C)[NH2+]C[C@@H]3C)CC2)c1 ZINC000420399325 304755553 /nfs/dbraw/zinc/75/55/53/304755553.db2.gz NWJIBGZZSGEAOL-MSOLQXFVSA-N 2 1 344.503 1.321 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000666925759 453252788 /nfs/dbraw/zinc/25/27/88/453252788.db2.gz DIJASWWPLQMUII-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000458362371 447323911 /nfs/dbraw/zinc/32/39/11/447323911.db2.gz SCMZTMSNOIUKIX-IRXDYDNUSA-N 2 1 340.512 1.349 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000458362371 447323918 /nfs/dbraw/zinc/32/39/18/447323918.db2.gz SCMZTMSNOIUKIX-IRXDYDNUSA-N 2 1 340.512 1.349 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000458362371 447323924 /nfs/dbraw/zinc/32/39/24/447323924.db2.gz SCMZTMSNOIUKIX-IRXDYDNUSA-N 2 1 340.512 1.349 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000458362371 447323933 /nfs/dbraw/zinc/32/39/33/447323933.db2.gz SCMZTMSNOIUKIX-IRXDYDNUSA-N 2 1 340.512 1.349 20 0 EDADMP COc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)ccc1S(C)(=O)=O ZINC000293761701 303014797 /nfs/dbraw/zinc/01/47/97/303014797.db2.gz SDNOUUSINYIXAG-CHWSQXEVSA-N 2 1 328.478 1.947 20 0 EDADMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C(=O)OC)cc1 ZINC000293945464 303042384 /nfs/dbraw/zinc/04/23/84/303042384.db2.gz YYNDULCSYYEYNT-KRWDZBQOSA-N 2 1 347.459 1.678 20 0 EDADMP OC[C@@H]1CC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CC[C@@H](CO)C3)c2)C1 ZINC000295142139 303178536 /nfs/dbraw/zinc/17/85/36/303178536.db2.gz ZSDRRJDNDDRGQU-HUUCEWRRSA-N 2 1 338.879 1.968 20 0 EDADMP COc1nccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000295535935 303231458 /nfs/dbraw/zinc/23/14/58/303231458.db2.gz XBOOFXISLYMLAE-SFHVURJKSA-N 2 1 342.443 1.732 20 0 EDADMP COc1nccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)n1 ZINC000295535935 303231460 /nfs/dbraw/zinc/23/14/60/303231460.db2.gz XBOOFXISLYMLAE-SFHVURJKSA-N 2 1 342.443 1.732 20 0 EDADMP Cc1nccn1-c1ccc(CNC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cn1 ZINC000296196039 303301372 /nfs/dbraw/zinc/30/13/72/303301372.db2.gz DCSXCQMTNYGXLN-OKILXGFUSA-N 2 1 342.447 1.810 20 0 EDADMP [NH3+]CCC[N@H+](CC(=O)NC(=O)NCc1ccccc1)CC1CCCC1 ZINC000352487901 303375886 /nfs/dbraw/zinc/37/58/86/303375886.db2.gz JWOMCJDBBFNUFK-UHFFFAOYSA-N 2 1 346.475 1.853 20 0 EDADMP [NH3+]CCCn1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)nn1 ZINC000423599225 304900791 /nfs/dbraw/zinc/90/07/91/304900791.db2.gz BFTPMIJPYWAZNP-OAHLLOKOSA-N 2 1 348.838 1.067 20 0 EDADMP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000423767450 304909308 /nfs/dbraw/zinc/90/93/08/304909308.db2.gz ZAYKTBJUSVSOJN-KRWDZBQOSA-N 2 1 326.444 1.771 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@@]1(C)C[NH3+] ZINC000423978105 304921884 /nfs/dbraw/zinc/92/18/84/304921884.db2.gz ZNXKANKDIHHWIH-YVWKXTFCSA-N 2 1 344.503 1.418 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C[C@H]1[NH3+] ZINC000423990376 304923074 /nfs/dbraw/zinc/92/30/74/304923074.db2.gz ZHWQPVWQGKUMFT-LUXYFRNMSA-N 2 1 331.460 1.715 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H](C[NH3+])C3)CC2)cs1 ZINC000428628842 305013393 /nfs/dbraw/zinc/01/33/93/305013393.db2.gz ZLQUXKMDHVRGBA-CQSZACIVSA-N 2 1 336.505 1.861 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428886229 305019304 /nfs/dbraw/zinc/01/93/04/305019304.db2.gz YKKAVMGSISKPSD-UHFFFAOYSA-N 2 1 336.436 1.689 20 0 EDADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003526 305022108 /nfs/dbraw/zinc/02/21/08/305022108.db2.gz IQLBGUJCMKTFKB-SGYMCOKNSA-N 2 1 339.524 1.119 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003526 305022109 /nfs/dbraw/zinc/02/21/09/305022109.db2.gz IQLBGUJCMKTFKB-SGYMCOKNSA-N 2 1 339.524 1.119 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003526 305022110 /nfs/dbraw/zinc/02/21/10/305022110.db2.gz IQLBGUJCMKTFKB-SGYMCOKNSA-N 2 1 339.524 1.119 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000429231215 305026047 /nfs/dbraw/zinc/02/60/47/305026047.db2.gz DNZIIMQMJVGJIA-ARFHVFGLSA-N 2 1 333.476 1.881 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCS(=O)(=O)N(C)C ZINC000429248263 305026461 /nfs/dbraw/zinc/02/64/61/305026461.db2.gz YSGAULLETWZVBX-UHFFFAOYSA-N 2 1 330.498 1.439 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCS(=O)(=O)N(C)C ZINC000429248263 305026462 /nfs/dbraw/zinc/02/64/62/305026462.db2.gz YSGAULLETWZVBX-UHFFFAOYSA-N 2 1 330.498 1.439 20 0 EDADMP C[C@H]1C[NH+](CC2CCN(CC[N@@H+]3CCCOCC3)CC2)C[C@H](C)O1 ZINC000429677828 305034854 /nfs/dbraw/zinc/03/48/54/305034854.db2.gz DFQKKOOYKGBFCZ-ROUUACIJSA-N 2 1 339.524 1.530 20 0 EDADMP C[C@H]1C[NH+](CC2CCN(CC[N@H+]3CCCOCC3)CC2)C[C@H](C)O1 ZINC000429677828 305034855 /nfs/dbraw/zinc/03/48/55/305034855.db2.gz DFQKKOOYKGBFCZ-ROUUACIJSA-N 2 1 339.524 1.530 20 0 EDADMP CC(C)[NH+]1CC(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000430446814 305053591 /nfs/dbraw/zinc/05/35/91/305053591.db2.gz HFQGXKWFYMCRKT-UHFFFAOYSA-N 2 1 330.476 1.408 20 0 EDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430580980 305057005 /nfs/dbraw/zinc/05/70/05/305057005.db2.gz IHNVVIPFHIXGNU-GOSISDBHSA-N 2 1 333.480 1.083 20 0 EDADMP C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430607371 305058493 /nfs/dbraw/zinc/05/84/93/305058493.db2.gz BZXNSSVVZNTOQS-LSDHHAIUSA-N 2 1 342.447 1.115 20 0 EDADMP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430607371 305058494 /nfs/dbraw/zinc/05/84/94/305058494.db2.gz BZXNSSVVZNTOQS-LSDHHAIUSA-N 2 1 342.447 1.115 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000430610975 305058825 /nfs/dbraw/zinc/05/88/25/305058825.db2.gz MXBVHLDRGBVKDP-GFCCVEGCSA-N 2 1 327.831 1.809 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000430673888 305062072 /nfs/dbraw/zinc/06/20/72/305062072.db2.gz HBOUAMHDGYLDAW-IXDOHACOSA-N 2 1 325.497 1.629 20 0 EDADMP CC(C)[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000430701334 305062726 /nfs/dbraw/zinc/06/27/26/305062726.db2.gz DLCCNDNURCZYDE-RTBURBONSA-N 2 1 345.487 1.564 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000430918031 305067973 /nfs/dbraw/zinc/06/79/73/305067973.db2.gz LJRAOCIAPWZAHF-DZKIICNBSA-N 2 1 349.475 1.420 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000430918031 305067974 /nfs/dbraw/zinc/06/79/74/305067974.db2.gz LJRAOCIAPWZAHF-DZKIICNBSA-N 2 1 349.475 1.420 20 0 EDADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000430950760 305070420 /nfs/dbraw/zinc/07/04/20/305070420.db2.gz SESHXVONEYGKJA-LLVKDONJSA-N 2 1 338.839 1.309 20 0 EDADMP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430961397 305071073 /nfs/dbraw/zinc/07/10/73/305071073.db2.gz CSFXHZVAUOERQD-YCPHGPKFSA-N 2 1 347.459 1.174 20 0 EDADMP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430961397 305071074 /nfs/dbraw/zinc/07/10/74/305071074.db2.gz CSFXHZVAUOERQD-YCPHGPKFSA-N 2 1 347.459 1.174 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000431063320 305073979 /nfs/dbraw/zinc/07/39/79/305073979.db2.gz ZUCMLZIWONUTKP-NXHRZFHOSA-N 2 1 331.460 1.707 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000433156957 305101984 /nfs/dbraw/zinc/10/19/84/305101984.db2.gz DLIJKAHDNFIMFN-RBUKOAKNSA-N 2 1 346.519 1.712 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000433156957 305101985 /nfs/dbraw/zinc/10/19/85/305101985.db2.gz DLIJKAHDNFIMFN-RBUKOAKNSA-N 2 1 346.519 1.712 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000433156957 305101986 /nfs/dbraw/zinc/10/19/86/305101986.db2.gz DLIJKAHDNFIMFN-RBUKOAKNSA-N 2 1 346.519 1.712 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000433287128 305104935 /nfs/dbraw/zinc/10/49/35/305104935.db2.gz KWTGDDOZQINOAY-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000433287128 305104936 /nfs/dbraw/zinc/10/49/36/305104936.db2.gz KWTGDDOZQINOAY-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000433287128 305104937 /nfs/dbraw/zinc/10/49/37/305104937.db2.gz KWTGDDOZQINOAY-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000435548133 305142112 /nfs/dbraw/zinc/14/21/12/305142112.db2.gz BSADHYXYEVPEOH-ZIAGYGMSSA-N 2 1 336.484 1.406 20 0 EDADMP C[C@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[N@H+]1CCC[C@@H](C)C1 ZINC000435548133 305142113 /nfs/dbraw/zinc/14/21/13/305142113.db2.gz BSADHYXYEVPEOH-ZIAGYGMSSA-N 2 1 336.484 1.406 20 0 EDADMP CCc1cccc(OCC[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436049637 305151281 /nfs/dbraw/zinc/15/12/81/305151281.db2.gz LZBGIFUOQMABPB-KRWDZBQOSA-N 2 1 333.476 1.947 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CC[N@@H+]1C ZINC000442865837 305230322 /nfs/dbraw/zinc/23/03/22/305230322.db2.gz UZCYOFFWJLKYOU-DGCLKSJQSA-N 2 1 347.431 1.315 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CC[N@H+]1C ZINC000442865837 305230323 /nfs/dbraw/zinc/23/03/23/305230323.db2.gz UZCYOFFWJLKYOU-DGCLKSJQSA-N 2 1 347.431 1.315 20 0 EDADMP CC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000442876626 305230535 /nfs/dbraw/zinc/23/05/35/305230535.db2.gz SBLVGTRRNRIWLK-UHFFFAOYSA-N 2 1 347.431 1.317 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](C(C)C)C2)C1 ZINC000444772751 305252649 /nfs/dbraw/zinc/25/26/49/305252649.db2.gz ORUCXHOZBWIJCU-MSOLQXFVSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H](C(C)C)C2)C1 ZINC000444772751 305252650 /nfs/dbraw/zinc/25/26/50/305252650.db2.gz ORUCXHOZBWIJCU-MSOLQXFVSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H](C(C)C)C2)C1 ZINC000444772751 305252651 /nfs/dbraw/zinc/25/26/51/305252651.db2.gz ORUCXHOZBWIJCU-MSOLQXFVSA-N 2 1 339.524 1.827 20 0 EDADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCC[NH+]1CCSCC1 ZINC000447958896 305289667 /nfs/dbraw/zinc/28/96/67/305289667.db2.gz LCYFACJTHRQIFV-AWEZNQCLSA-N 2 1 328.526 1.455 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCC[NH+]1CCSCC1 ZINC000447958896 305289668 /nfs/dbraw/zinc/28/96/68/305289668.db2.gz LCYFACJTHRQIFV-AWEZNQCLSA-N 2 1 328.526 1.455 20 0 EDADMP CCC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451524784 305351053 /nfs/dbraw/zinc/35/10/53/305351053.db2.gz DLHQBQRFZSKJOW-QZTJIDSGSA-N 2 1 325.497 1.414 20 0 EDADMP CCC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451524784 305351054 /nfs/dbraw/zinc/35/10/54/305351054.db2.gz DLHQBQRFZSKJOW-QZTJIDSGSA-N 2 1 325.497 1.414 20 0 EDADMP CCC[C@@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451524784 305351055 /nfs/dbraw/zinc/35/10/55/305351055.db2.gz DLHQBQRFZSKJOW-QZTJIDSGSA-N 2 1 325.497 1.414 20 0 EDADMP CCC[C@@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451524784 305351056 /nfs/dbraw/zinc/35/10/56/305351056.db2.gz DLHQBQRFZSKJOW-QZTJIDSGSA-N 2 1 325.497 1.414 20 0 EDADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](C[C@H]3CCCCO3)C2)CC1 ZINC000451527235 305351136 /nfs/dbraw/zinc/35/11/36/305351136.db2.gz DCOSGJIVHYJYRO-RBUKOAKNSA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H]3CCCCO3)C2)CC1 ZINC000451527235 305351137 /nfs/dbraw/zinc/35/11/37/305351137.db2.gz DCOSGJIVHYJYRO-RBUKOAKNSA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H]3CCCCO3)C2)CC1 ZINC000451527235 305351138 /nfs/dbraw/zinc/35/11/38/305351138.db2.gz DCOSGJIVHYJYRO-RBUKOAKNSA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCCCO3)C2)CC1 ZINC000451527235 305351139 /nfs/dbraw/zinc/35/11/39/305351139.db2.gz DCOSGJIVHYJYRO-RBUKOAKNSA-N 2 1 337.508 1.822 20 0 EDADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000451596427 305355718 /nfs/dbraw/zinc/35/57/18/305355718.db2.gz YOTIEXCHXLNASK-XHSDSOJGSA-N 2 1 339.480 1.251 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@@H](C)CCC2(C)C)C1 ZINC000452009523 305377974 /nfs/dbraw/zinc/37/79/74/305377974.db2.gz UVIBHURAHIPLPD-JKSUJKDBSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2[C@@H](C)CCC2(C)C)C1 ZINC000452009523 305377975 /nfs/dbraw/zinc/37/79/75/305377975.db2.gz UVIBHURAHIPLPD-JKSUJKDBSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2[C@@H](C)CCC2(C)C)C1 ZINC000452009523 305377976 /nfs/dbraw/zinc/37/79/76/305377976.db2.gz UVIBHURAHIPLPD-JKSUJKDBSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@@H+](C)Cc1ccccc1 ZINC000452365115 305393197 /nfs/dbraw/zinc/39/31/97/305393197.db2.gz NIMLJQXFNKUUGA-OALUTQOASA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+](C)Cc1ccccc1 ZINC000452365115 305393198 /nfs/dbraw/zinc/39/31/98/305393198.db2.gz NIMLJQXFNKUUGA-OALUTQOASA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+](C)Cc1ccccc1 ZINC000452365115 305393199 /nfs/dbraw/zinc/39/31/99/305393199.db2.gz NIMLJQXFNKUUGA-OALUTQOASA-N 2 1 347.503 1.860 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)C[NH+]1CCOCC1 ZINC000458408775 447350967 /nfs/dbraw/zinc/35/09/67/447350967.db2.gz HAYAUERLBBFJME-FUHWJXTLSA-N 2 1 338.496 1.082 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)C[NH+]1CCOCC1 ZINC000458408775 447350971 /nfs/dbraw/zinc/35/09/71/447350971.db2.gz HAYAUERLBBFJME-FUHWJXTLSA-N 2 1 338.496 1.082 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)[NH+]1CCOCC1 ZINC000515490504 305723145 /nfs/dbraw/zinc/72/31/45/305723145.db2.gz PFOLKWMOMAWXRI-KRWDZBQOSA-N 2 1 340.512 1.504 20 0 EDADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000517031365 305746735 /nfs/dbraw/zinc/74/67/35/305746735.db2.gz ONHGDKGNXRCPCN-WJTFHPDPSA-N 2 1 331.464 1.047 20 0 EDADMP C[C@@H]1CN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C[N@@H+]1C ZINC000535824224 306017869 /nfs/dbraw/zinc/01/78/69/306017869.db2.gz MXJWFIAYWAZEEN-GJYPPUQNSA-N 2 1 331.460 1.174 20 0 EDADMP C[C@@H]1CN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C[N@H+]1C ZINC000535824224 306017870 /nfs/dbraw/zinc/01/78/70/306017870.db2.gz MXJWFIAYWAZEEN-GJYPPUQNSA-N 2 1 331.460 1.174 20 0 EDADMP C[C@@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C[NH+]1C ZINC000535824224 306017871 /nfs/dbraw/zinc/01/78/71/306017871.db2.gz MXJWFIAYWAZEEN-GJYPPUQNSA-N 2 1 331.460 1.174 20 0 EDADMP C[C@@H]1CN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C[NH+]1C ZINC000535824224 306017872 /nfs/dbraw/zinc/01/78/72/306017872.db2.gz MXJWFIAYWAZEEN-GJYPPUQNSA-N 2 1 331.460 1.174 20 0 EDADMP CN(CCC[NH+]1CCCC1)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000545986628 306089106 /nfs/dbraw/zinc/08/91/06/306089106.db2.gz LHMSOVIQPIQEMU-FQEVSTJZSA-N 2 1 345.487 1.568 20 0 EDADMP Cn1nccc1CCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000548451043 306127868 /nfs/dbraw/zinc/12/78/68/306127868.db2.gz QHYWIJXMTBKDSV-UHFFFAOYSA-N 2 1 328.420 1.138 20 0 EDADMP Cc1nn(C)c(C)c1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000548902328 306141364 /nfs/dbraw/zinc/14/13/64/306141364.db2.gz QRKWIPUZPWSHOF-UHFFFAOYSA-N 2 1 328.420 1.436 20 0 EDADMP CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000551742969 306161093 /nfs/dbraw/zinc/16/10/93/306161093.db2.gz VNLFPFRGZAWXAP-INIZCTEOSA-N 2 1 346.475 1.548 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000551742969 306161094 /nfs/dbraw/zinc/16/10/94/306161094.db2.gz VNLFPFRGZAWXAP-INIZCTEOSA-N 2 1 346.475 1.548 20 0 EDADMP C[C@@H](CNC(=O)C(=O)NCCCCn1ccnc1)[N@H+]1CCC[C@H](C)C1 ZINC000556642574 306212439 /nfs/dbraw/zinc/21/24/39/306212439.db2.gz UQRZHLABBNKDHO-HOTGVXAUSA-N 2 1 349.479 1.016 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)NC[C@H]1CCC[NH2+]C1 ZINC000557197041 306226248 /nfs/dbraw/zinc/22/62/48/306226248.db2.gz NLUDPCBMRJNPIH-ZWKOTPCHSA-N 2 1 330.476 1.950 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000557221149 306226825 /nfs/dbraw/zinc/22/68/25/306226825.db2.gz GQWPRXVNGMHDOH-GOSISDBHSA-N 2 1 346.475 1.237 20 0 EDADMP FC(F)(F)[C@H](C[NH2+]Cc1csc(C2CC2)n1)N1CC[NH2+]CC1 ZINC000414974172 447380489 /nfs/dbraw/zinc/38/04/89/447380489.db2.gz LBDSXKRXJWGVMI-LBPRGKRZSA-N 2 1 334.411 1.946 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)CC[N@@H+]1C ZINC000426030248 447381715 /nfs/dbraw/zinc/38/17/15/447381715.db2.gz NXXKTSBHCWKFDZ-UKRRQHHQSA-N 2 1 331.526 1.651 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)CC[N@H+]1C ZINC000426030248 447381720 /nfs/dbraw/zinc/38/17/20/447381720.db2.gz NXXKTSBHCWKFDZ-UKRRQHHQSA-N 2 1 331.526 1.651 20 0 EDADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414977559 447381788 /nfs/dbraw/zinc/38/17/88/447381788.db2.gz QHPVUMGSZDTKSC-HIFRSBDPSA-N 2 1 338.883 1.859 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000458497909 447389259 /nfs/dbraw/zinc/38/92/59/447389259.db2.gz HWQWKGDWYOABPF-GDBMZVCRSA-N 2 1 328.526 1.455 20 0 EDADMP CC[C@@H]1CN(C(=O)NC2CC[NH+](CC)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000426221108 447399903 /nfs/dbraw/zinc/39/99/03/447399903.db2.gz WZZMYBPSKFIALP-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000378275089 447413065 /nfs/dbraw/zinc/41/30/65/447413065.db2.gz GCFVESYCSPDMSO-QGZVFWFLSA-N 2 1 334.464 1.393 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000378275089 447413073 /nfs/dbraw/zinc/41/30/73/447413073.db2.gz GCFVESYCSPDMSO-QGZVFWFLSA-N 2 1 334.464 1.393 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)c2C1 ZINC000415430362 447431829 /nfs/dbraw/zinc/43/18/29/447431829.db2.gz QYAFILMYUAKJKI-OAHLLOKOSA-N 2 1 346.475 1.840 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)c2C1 ZINC000415430362 447431837 /nfs/dbraw/zinc/43/18/37/447431837.db2.gz QYAFILMYUAKJKI-OAHLLOKOSA-N 2 1 346.475 1.840 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000080489654 441174679 /nfs/dbraw/zinc/17/46/79/441174679.db2.gz SAMJTRWCDYDUGI-UHFFFAOYSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@H](CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000105102652 441233715 /nfs/dbraw/zinc/23/37/15/441233715.db2.gz VBCCSEDNHYBEEQ-KFWWJZLASA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000105102652 441233717 /nfs/dbraw/zinc/23/37/17/441233717.db2.gz VBCCSEDNHYBEEQ-KFWWJZLASA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000105102652 441233719 /nfs/dbraw/zinc/23/37/19/441233719.db2.gz VBCCSEDNHYBEEQ-KFWWJZLASA-N 2 1 326.485 1.268 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH+](C)CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000081096281 441233923 /nfs/dbraw/zinc/23/39/23/441233923.db2.gz FDGQYJFMHIPMQO-PBHICJAKSA-N 2 1 329.444 1.945 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000081096281 441233929 /nfs/dbraw/zinc/23/39/29/441233929.db2.gz FDGQYJFMHIPMQO-PBHICJAKSA-N 2 1 329.444 1.945 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000081096281 441233932 /nfs/dbraw/zinc/23/39/32/441233932.db2.gz FDGQYJFMHIPMQO-PBHICJAKSA-N 2 1 329.444 1.945 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000081096281 441233936 /nfs/dbraw/zinc/23/39/36/441233936.db2.gz FDGQYJFMHIPMQO-PBHICJAKSA-N 2 1 329.444 1.945 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000048270031 441282117 /nfs/dbraw/zinc/28/21/17/441282117.db2.gz ZHYLMBJQXMCINC-UHFFFAOYSA-N 2 1 333.480 1.234 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000073013047 441286229 /nfs/dbraw/zinc/28/62/29/441286229.db2.gz RNBZJCGWSSAPNG-QGZVFWFLSA-N 2 1 330.476 1.267 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(NC=O)cc1 ZINC000073243144 441304182 /nfs/dbraw/zinc/30/41/82/441304182.db2.gz BHFRGRZRCLRQGY-SFHVURJKSA-N 2 1 346.475 1.743 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000073385234 441314196 /nfs/dbraw/zinc/31/41/96/441314196.db2.gz AFAYCVJLPHDQQT-VJFUWPCTSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000073385234 441314199 /nfs/dbraw/zinc/31/41/99/441314199.db2.gz AFAYCVJLPHDQQT-VJFUWPCTSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@@H+]1CC[C@@H](CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000107888952 441433123 /nfs/dbraw/zinc/43/31/23/441433123.db2.gz KXBXZMFQWNSIMM-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000107888952 441433128 /nfs/dbraw/zinc/43/31/28/441433128.db2.gz KXBXZMFQWNSIMM-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085423691 441439622 /nfs/dbraw/zinc/43/96/22/441439622.db2.gz WEZGOEQNQACKNR-INIZCTEOSA-N 2 1 342.528 1.715 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000052210032 441440248 /nfs/dbraw/zinc/44/02/48/441440248.db2.gz OOWXQVPLYGLOFA-UHFFFAOYSA-N 2 1 338.496 1.761 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000074676118 441455860 /nfs/dbraw/zinc/45/58/60/441455860.db2.gz FWVDSFLJXCCGGQ-GOSISDBHSA-N 2 1 338.540 1.785 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000074676468 441456174 /nfs/dbraw/zinc/45/61/74/441456174.db2.gz UTQQWCQCLKAERK-KRWDZBQOSA-N 2 1 346.519 1.752 20 0 EDADMP C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCSCC1 ZINC000089393656 441545814 /nfs/dbraw/zinc/54/58/14/441545814.db2.gz OEOBCFCCWXRTEX-HNNXBMFYSA-N 2 1 348.516 1.852 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](CCO)CCc2ccccc2)CC1 ZINC000112731449 441556767 /nfs/dbraw/zinc/55/67/67/441556767.db2.gz HVMJAVPLRSZGPR-UHFFFAOYSA-N 2 1 333.476 1.124 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCO)CCc2ccccc2)CC1 ZINC000112731449 441556771 /nfs/dbraw/zinc/55/67/71/441556771.db2.gz HVMJAVPLRSZGPR-UHFFFAOYSA-N 2 1 333.476 1.124 20 0 EDADMP CCOC[C@H](O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000113504345 441611411 /nfs/dbraw/zinc/61/14/11/441611411.db2.gz MRMCQVOKGPVHSM-LJQANCHMSA-N 2 1 335.492 1.133 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091321209 441695075 /nfs/dbraw/zinc/69/50/75/441695075.db2.gz FCKBVPVNOPODJA-CHWSQXEVSA-N 2 1 336.461 1.826 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000114693862 441675316 /nfs/dbraw/zinc/67/53/16/441675316.db2.gz FZXJLMHQODCIRS-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000114693862 441675319 /nfs/dbraw/zinc/67/53/19/441675319.db2.gz FZXJLMHQODCIRS-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP CCC[N@H+](CC(=O)NCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121588221 441737383 /nfs/dbraw/zinc/73/73/83/441737383.db2.gz GRRCTBBKMXCHKT-UHFFFAOYSA-N 2 1 333.480 1.910 20 0 EDADMP CCC[N@@H+](CC(=O)NCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121588221 441737387 /nfs/dbraw/zinc/73/73/87/441737387.db2.gz GRRCTBBKMXCHKT-UHFFFAOYSA-N 2 1 333.480 1.910 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000137177845 441753292 /nfs/dbraw/zinc/75/32/92/441753292.db2.gz ZZCXCEUERFHDQO-DLBZAZTESA-N 2 1 337.508 1.629 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccn(C)c1=O ZINC000173536811 441782889 /nfs/dbraw/zinc/78/28/89/441782889.db2.gz PGINQVMBRGAYAE-HNNXBMFYSA-N 2 1 349.479 1.265 20 0 EDADMP C[NH+](C)C1(CNC(=O)NCCCCN2CC[NH+](C)CC2)CCCC1 ZINC000077542664 441802796 /nfs/dbraw/zinc/80/27/96/441802796.db2.gz YCRQHJKPRVDOIG-UHFFFAOYSA-N 2 1 339.528 1.188 20 0 EDADMP COCCN1CCC([NH2+][C@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000173644437 441813181 /nfs/dbraw/zinc/81/31/81/441813181.db2.gz IHXLSSOPLVUWAR-GFCCVEGCSA-N 2 1 340.855 1.762 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COCc2ccc(OC)cc2)C1 ZINC000173908029 441859893 /nfs/dbraw/zinc/85/98/93/441859893.db2.gz LPECWKACPDWABQ-ROUUACIJSA-N 2 1 336.476 1.846 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccc(OC)cc2)C1 ZINC000173908029 441859897 /nfs/dbraw/zinc/85/98/97/441859897.db2.gz LPECWKACPDWABQ-ROUUACIJSA-N 2 1 336.476 1.846 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccc(OC)cc2)C1 ZINC000173908029 441859901 /nfs/dbraw/zinc/85/99/01/441859901.db2.gz LPECWKACPDWABQ-ROUUACIJSA-N 2 1 336.476 1.846 20 0 EDADMP C[NH+](C)CC[C@@H](NC(=O)NCCC[NH+]1CCOCC1)C(C)(C)C ZINC000116519711 441828024 /nfs/dbraw/zinc/82/80/24/441828024.db2.gz WSICWCRTYJJNKJ-OAHLLOKOSA-N 2 1 328.501 1.374 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068638338 441834444 /nfs/dbraw/zinc/83/44/44/441834444.db2.gz AHVWLBLZSURWHB-UHFFFAOYSA-N 2 1 334.464 1.270 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068638338 441834445 /nfs/dbraw/zinc/83/44/45/441834445.db2.gz AHVWLBLZSURWHB-UHFFFAOYSA-N 2 1 334.464 1.270 20 0 EDADMP CCS(=O)(=O)NCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000068807732 441855282 /nfs/dbraw/zinc/85/52/82/441855282.db2.gz VIBMKIYHBUQHRB-UHFFFAOYSA-N 2 1 331.526 1.514 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000077775214 441857091 /nfs/dbraw/zinc/85/70/91/441857091.db2.gz ZSQBKVVPJWGHED-MRXNPFEDSA-N 2 1 340.512 1.397 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000174361352 441916349 /nfs/dbraw/zinc/91/63/49/441916349.db2.gz SAGLILJJGCGXCT-HNNXBMFYSA-N 2 1 347.459 1.458 20 0 EDADMP COC(=O)c1cccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123323588 441882740 /nfs/dbraw/zinc/88/27/40/441882740.db2.gz YZPZRJLGIKSGMA-CZUORRHYSA-N 2 1 333.432 1.826 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[NH+](C)C1CC1 ZINC000118130751 441890408 /nfs/dbraw/zinc/89/04/08/441890408.db2.gz TVTQHMXHFJRJAM-GFCCVEGCSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[NH+](C)C1CC1 ZINC000118130751 441890415 /nfs/dbraw/zinc/89/04/15/441890415.db2.gz TVTQHMXHFJRJAM-GFCCVEGCSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2)[N@H+](C)C1CC1 ZINC000118130751 441890423 /nfs/dbraw/zinc/89/04/23/441890423.db2.gz TVTQHMXHFJRJAM-GFCCVEGCSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2)[N@@H+](C)C1CC1 ZINC000118130751 441890427 /nfs/dbraw/zinc/89/04/27/441890427.db2.gz TVTQHMXHFJRJAM-GFCCVEGCSA-N 2 1 330.432 1.169 20 0 EDADMP CC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000119759909 441950374 /nfs/dbraw/zinc/95/03/74/441950374.db2.gz FARZAXSUCJWHMY-PXNSSMCTSA-N 2 1 344.503 1.703 20 0 EDADMP CC[C@H](C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1)[NH+](C)C ZINC000124811807 441955736 /nfs/dbraw/zinc/95/57/36/441955736.db2.gz AVFRBDUPWCHQHN-LJQANCHMSA-N 2 1 346.519 1.781 20 0 EDADMP CN(C)C(=O)c1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000174720070 441958966 /nfs/dbraw/zinc/95/89/66/441958966.db2.gz WTLPMPJDKVFBNG-UHFFFAOYSA-N 2 1 332.492 1.458 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723403 441959860 /nfs/dbraw/zinc/95/98/60/441959860.db2.gz UFJZBJWFVLMXFM-KZNAEPCWSA-N 2 1 338.540 1.639 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000069637943 441997867 /nfs/dbraw/zinc/99/78/67/441997867.db2.gz RNRLXBHFJPYLSD-SFHVURJKSA-N 2 1 331.460 1.685 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000079491288 442054778 /nfs/dbraw/zinc/05/47/78/442054778.db2.gz XTQRESZTLWZFGE-SFHVURJKSA-N 2 1 348.491 1.653 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000079491288 442054780 /nfs/dbraw/zinc/05/47/80/442054780.db2.gz XTQRESZTLWZFGE-SFHVURJKSA-N 2 1 348.491 1.653 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000079491288 442054786 /nfs/dbraw/zinc/05/47/86/442054786.db2.gz XTQRESZTLWZFGE-SFHVURJKSA-N 2 1 348.491 1.653 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000079491288 442054791 /nfs/dbraw/zinc/05/47/91/442054791.db2.gz XTQRESZTLWZFGE-SFHVURJKSA-N 2 1 348.491 1.653 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000175733671 442113836 /nfs/dbraw/zinc/11/38/36/442113836.db2.gz LDZSJZDBLMEXEA-UHFFFAOYSA-N 2 1 348.491 1.482 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000175733671 442113840 /nfs/dbraw/zinc/11/38/40/442113840.db2.gz LDZSJZDBLMEXEA-UHFFFAOYSA-N 2 1 348.491 1.482 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCOC(=O)NC(N)=O)C2)CC1 ZINC000120897964 442149100 /nfs/dbraw/zinc/14/91/00/442149100.db2.gz OHQLPWCFEBSSBF-OAHLLOKOSA-N 2 1 340.468 1.625 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCOC(=O)NC(N)=O)C2)CC1 ZINC000120897964 442149102 /nfs/dbraw/zinc/14/91/02/442149102.db2.gz OHQLPWCFEBSSBF-OAHLLOKOSA-N 2 1 340.468 1.625 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000175761028 442117556 /nfs/dbraw/zinc/11/75/56/442117556.db2.gz GUKXFXXLOUQTPL-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000175761028 442117560 /nfs/dbraw/zinc/11/75/60/442117560.db2.gz GUKXFXXLOUQTPL-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000151829355 442126832 /nfs/dbraw/zinc/12/68/32/442126832.db2.gz WLFLNZDSYCSVDE-OAHLLOKOSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1[nH]nc2ccccc21 ZINC000120794825 442134402 /nfs/dbraw/zinc/13/44/02/442134402.db2.gz KRMSGUQOZZELFW-UHFFFAOYSA-N 2 1 331.464 1.909 20 0 EDADMP C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000162483908 442097573 /nfs/dbraw/zinc/09/75/73/442097573.db2.gz YZIUUWDJTCKFSZ-GOSISDBHSA-N 2 1 348.535 1.915 20 0 EDADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(C)CC2)c1 ZINC000121147203 442182601 /nfs/dbraw/zinc/18/26/01/442182601.db2.gz JOVABCKIOULSGD-SFHVURJKSA-N 2 1 330.476 1.664 20 0 EDADMP C[C@@H](CNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)[N@@H+](C)C1CC1 ZINC000175965517 442155238 /nfs/dbraw/zinc/15/52/38/442155238.db2.gz PJJNFHRHRFIIHK-QFBILLFUSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C1CC1 ZINC000175965517 442155246 /nfs/dbraw/zinc/15/52/46/442155246.db2.gz PJJNFHRHRFIIHK-QFBILLFUSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](CNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1)[N@H+](C)C1CC1 ZINC000175965517 442155249 /nfs/dbraw/zinc/15/52/49/442155249.db2.gz PJJNFHRHRFIIHK-QFBILLFUSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](CNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1)[N@@H+](C)C1CC1 ZINC000175965517 442155252 /nfs/dbraw/zinc/15/52/52/442155252.db2.gz PJJNFHRHRFIIHK-QFBILLFUSA-N 2 1 345.487 1.876 20 0 EDADMP COC1(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)CC[NH2+]CC1 ZINC000165367344 442208317 /nfs/dbraw/zinc/20/83/17/442208317.db2.gz SCHQOKAEEBAUGN-CYBMUJFWSA-N 2 1 337.489 1.380 20 0 EDADMP COC1(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CC[NH2+]CC1 ZINC000165367344 442208319 /nfs/dbraw/zinc/20/83/19/442208319.db2.gz SCHQOKAEEBAUGN-CYBMUJFWSA-N 2 1 337.489 1.380 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000127630010 442216475 /nfs/dbraw/zinc/21/64/75/442216475.db2.gz IAJFTEMXWBLQFV-QGZVFWFLSA-N 2 1 340.512 1.663 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[NH+]1CCOCC1 ZINC000176403102 442218437 /nfs/dbraw/zinc/21/84/37/442218437.db2.gz VXODFLVKOMNYTF-SJORKVTESA-N 2 1 338.496 1.367 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000127768687 442224000 /nfs/dbraw/zinc/22/40/00/442224000.db2.gz VMFTVYCHMSRPND-QGZVFWFLSA-N 2 1 340.512 1.376 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000127768687 442224003 /nfs/dbraw/zinc/22/40/03/442224003.db2.gz VMFTVYCHMSRPND-QGZVFWFLSA-N 2 1 340.512 1.376 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccccn2)C1)[N@@H+](C)C1CC1 ZINC000129162850 442304271 /nfs/dbraw/zinc/30/42/71/442304271.db2.gz BOZVKNPRFQAJAF-LSDHHAIUSA-N 2 1 331.464 1.832 20 0 EDADMP COCCC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000128385077 442263415 /nfs/dbraw/zinc/26/34/15/442263415.db2.gz BDNAWWACJBKGFY-MRXNPFEDSA-N 2 1 343.493 1.497 20 0 EDADMP COCCC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000128385077 442263417 /nfs/dbraw/zinc/26/34/17/442263417.db2.gz BDNAWWACJBKGFY-MRXNPFEDSA-N 2 1 343.493 1.497 20 0 EDADMP COC(=O)[C@H](CC(C)C)NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177057026 442291301 /nfs/dbraw/zinc/29/13/01/442291301.db2.gz GVHUVYPCYQARSG-KFWWJZLASA-N 2 1 327.469 1.105 20 0 EDADMP COc1cccc(COC[C@@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000177058804 442291698 /nfs/dbraw/zinc/29/16/98/442291698.db2.gz AWIUYUNJLWNMMH-NJAFHUGGSA-N 2 1 336.476 1.987 20 0 EDADMP COc1cccc(COC[C@@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000177058804 442291700 /nfs/dbraw/zinc/29/17/00/442291700.db2.gz AWIUYUNJLWNMMH-NJAFHUGGSA-N 2 1 336.476 1.987 20 0 EDADMP COc1cccc(COC[C@@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000177058804 442291703 /nfs/dbraw/zinc/29/17/03/442291703.db2.gz AWIUYUNJLWNMMH-NJAFHUGGSA-N 2 1 336.476 1.987 20 0 EDADMP COc1cccc(COC[C@@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000177058804 442291705 /nfs/dbraw/zinc/29/17/05/442291705.db2.gz AWIUYUNJLWNMMH-NJAFHUGGSA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177060720 442292329 /nfs/dbraw/zinc/29/23/29/442292329.db2.gz SQFPZYBOOAVIEQ-NXHRZFHOSA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177060720 442292332 /nfs/dbraw/zinc/29/23/32/442292332.db2.gz SQFPZYBOOAVIEQ-NXHRZFHOSA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177060720 442292335 /nfs/dbraw/zinc/29/23/35/442292335.db2.gz SQFPZYBOOAVIEQ-NXHRZFHOSA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177060720 442292337 /nfs/dbraw/zinc/29/23/37/442292337.db2.gz SQFPZYBOOAVIEQ-NXHRZFHOSA-N 2 1 336.476 1.987 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[N@H+]1C1CC1 ZINC000130728905 442354597 /nfs/dbraw/zinc/35/45/97/442354597.db2.gz CFLVKAJALIACCI-INMHGKMJSA-N 2 1 338.496 1.364 20 0 EDADMP C[NH+](C)CCN(Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCC1 ZINC000154616672 442348567 /nfs/dbraw/zinc/34/85/67/442348567.db2.gz XXVMWYYAJVRIOL-UHFFFAOYSA-N 2 1 346.523 1.535 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000171905745 442389765 /nfs/dbraw/zinc/38/97/65/442389765.db2.gz OZGTUYFQVDMGPX-GOEBONIOSA-N 2 1 337.468 1.238 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000171905745 442389768 /nfs/dbraw/zinc/38/97/68/442389768.db2.gz OZGTUYFQVDMGPX-GOEBONIOSA-N 2 1 337.468 1.238 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](C)(O)C2)CC1 ZINC000177978693 442398962 /nfs/dbraw/zinc/39/89/62/442398962.db2.gz BWQMRQLXPSEUSA-FQEVSTJZSA-N 2 1 345.487 1.532 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000178668913 442454392 /nfs/dbraw/zinc/45/43/92/442454392.db2.gz LBJWAHGGDCUWNR-MRXNPFEDSA-N 2 1 335.423 1.793 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000178670567 442454985 /nfs/dbraw/zinc/45/49/85/442454985.db2.gz CUVKZGOGJDYPKY-HNNXBMFYSA-N 2 1 347.459 1.663 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000172613101 442504170 /nfs/dbraw/zinc/50/41/70/442504170.db2.gz OLXYMPIHFZIKIJ-SFHVURJKSA-N 2 1 333.476 1.835 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000178719639 442462799 /nfs/dbraw/zinc/46/27/99/442462799.db2.gz HCIIGLWYNCFEDX-MPGHIAIKSA-N 2 1 331.460 1.664 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)cn2)CC1 ZINC000180369221 442588215 /nfs/dbraw/zinc/58/82/15/442588215.db2.gz BJDXOFUIATZPBB-OAHLLOKOSA-N 2 1 333.480 1.664 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@](C)(O)C(C)C)CC2)CC1 ZINC000187011038 442645085 /nfs/dbraw/zinc/64/50/85/442645085.db2.gz LFMAPYRWFYOEBH-LJQANCHMSA-N 2 1 339.524 1.660 20 0 EDADMP COCCOC[C@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192748207 442682966 /nfs/dbraw/zinc/68/29/66/442682966.db2.gz ZNXZPEHZRPMGHC-SFHVURJKSA-N 2 1 327.513 1.387 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000187933503 442698655 /nfs/dbraw/zinc/69/86/55/442698655.db2.gz KFKIMJWKSQGNRF-IJEWVQPXSA-N 2 1 337.489 1.453 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000188061372 442706497 /nfs/dbraw/zinc/70/64/97/442706497.db2.gz BWJMMTNTPUQSEL-MAUKXSAKSA-N 2 1 331.460 1.523 20 0 EDADMP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ncn1 ZINC000246499110 442786811 /nfs/dbraw/zinc/78/68/11/442786811.db2.gz SKLVSHHZLSPFBK-ZJIFWQFVSA-N 2 1 332.496 1.805 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC[N@@H+](C)CC3)CC2)c1 ZINC000267930743 442790413 /nfs/dbraw/zinc/79/04/13/442790413.db2.gz OANVJAMGCCMYDR-UHFFFAOYSA-N 2 1 344.503 1.277 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC[N@H+](C)CC3)CC2)c1 ZINC000267930743 442790416 /nfs/dbraw/zinc/79/04/16/442790416.db2.gz OANVJAMGCCMYDR-UHFFFAOYSA-N 2 1 344.503 1.277 20 0 EDADMP COCC[NH+](CCOC)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000267859573 442770098 /nfs/dbraw/zinc/77/00/98/442770098.db2.gz HTVANWDPDIFOGL-QGZVFWFLSA-N 2 1 337.464 1.000 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000247047212 442830861 /nfs/dbraw/zinc/83/08/61/442830861.db2.gz SGTFYXCUZVGQNF-HOTGVXAUSA-N 2 1 340.512 1.517 20 0 EDADMP C[NH+](C)CCN(Cc1ccco1)C(=O)CCCC[NH+]1CCOCC1 ZINC000268042533 442826985 /nfs/dbraw/zinc/82/69/85/442826985.db2.gz LCOVKGNJBBTKIW-UHFFFAOYSA-N 2 1 337.464 1.672 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2)C[C@@H](C)O1 ZINC000247450363 442854487 /nfs/dbraw/zinc/85/44/87/442854487.db2.gz ZDVWGAOAKLHXOU-INMHGKMJSA-N 2 1 331.460 1.717 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248574708 442902615 /nfs/dbraw/zinc/90/26/15/442902615.db2.gz MZTFMUYDVDGGHS-KKUMJFAQSA-N 2 1 338.496 1.852 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248574708 442902618 /nfs/dbraw/zinc/90/26/18/442902618.db2.gz MZTFMUYDVDGGHS-KKUMJFAQSA-N 2 1 338.496 1.852 20 0 EDADMP COC(=O)COc1c(C)cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000194534822 442911592 /nfs/dbraw/zinc/91/15/92/442911592.db2.gz QGXITEBQJZHTFF-CALCHBBNSA-N 2 1 332.444 1.849 20 0 EDADMP COC(=O)COc1c(C)cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000194534822 442911595 /nfs/dbraw/zinc/91/15/95/442911595.db2.gz QGXITEBQJZHTFF-CALCHBBNSA-N 2 1 332.444 1.849 20 0 EDADMP COC(=O)COc1c(C)cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1C ZINC000194534822 442911599 /nfs/dbraw/zinc/91/15/99/442911599.db2.gz QGXITEBQJZHTFF-CALCHBBNSA-N 2 1 332.444 1.849 20 0 EDADMP COC(=O)COc1c(C)cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1C ZINC000194534822 442911602 /nfs/dbraw/zinc/91/16/02/442911602.db2.gz QGXITEBQJZHTFF-CALCHBBNSA-N 2 1 332.444 1.849 20 0 EDADMP CCOC(=O)C1CCC(O)(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000248670199 442916145 /nfs/dbraw/zinc/91/61/45/442916145.db2.gz QDIHGRIILCYBJD-VIHIWDAPSA-N 2 1 338.492 1.887 20 0 EDADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCOCC1 ZINC000249204678 442960800 /nfs/dbraw/zinc/96/08/00/442960800.db2.gz VMOKVEKILCFDHD-WOJBJXKFSA-N 2 1 348.487 1.784 20 0 EDADMP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000249301340 442965552 /nfs/dbraw/zinc/96/55/52/442965552.db2.gz HEMGMAKCBYIHBB-IJEWVQPXSA-N 2 1 331.526 1.509 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000249552822 442985886 /nfs/dbraw/zinc/98/58/86/442985886.db2.gz IQOWEZFINLHPJA-ZBFHGGJFSA-N 2 1 347.459 1.394 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000249552822 442985890 /nfs/dbraw/zinc/98/58/90/442985890.db2.gz IQOWEZFINLHPJA-ZBFHGGJFSA-N 2 1 347.459 1.394 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)[NH+]1CCc2sccc2C1 ZINC000195130186 442986984 /nfs/dbraw/zinc/98/69/84/442986984.db2.gz VSEPPRBJPWLBIA-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)[NH+]1CCc2sccc2C1 ZINC000195130186 442986989 /nfs/dbraw/zinc/98/69/89/442986989.db2.gz VSEPPRBJPWLBIA-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+]1C)[N@@H+]1CCc2sccc2C1 ZINC000195130186 442986994 /nfs/dbraw/zinc/98/69/94/442986994.db2.gz VSEPPRBJPWLBIA-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+]1C)[N@H+]1CCc2sccc2C1 ZINC000195130186 442987000 /nfs/dbraw/zinc/98/70/00/442987000.db2.gz VSEPPRBJPWLBIA-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000195141785 442988464 /nfs/dbraw/zinc/98/84/64/442988464.db2.gz AHMPRSBBNLGPOR-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP CC[C@]1(CO)CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000189682096 442993420 /nfs/dbraw/zinc/99/34/20/442993420.db2.gz RTXVETITGJTXCS-PKOBYXMFSA-N 2 1 333.476 1.642 20 0 EDADMP COC[C@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000249940872 443009565 /nfs/dbraw/zinc/00/95/65/443009565.db2.gz SZUWOYPJDPPYHU-CRAIPNDOSA-N 2 1 333.476 1.756 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NCC(F)(F)C[NH3+])cc2)CC1 ZINC000190190479 443069113 /nfs/dbraw/zinc/06/91/13/443069113.db2.gz CHUWGELNZXPVPD-UHFFFAOYSA-N 2 1 326.391 1.152 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000185110408 443139893 /nfs/dbraw/zinc/13/98/93/443139893.db2.gz GQFHFUPKLUZLDS-MRXNPFEDSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000185110408 443139895 /nfs/dbraw/zinc/13/98/95/443139895.db2.gz GQFHFUPKLUZLDS-MRXNPFEDSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000268909366 443144365 /nfs/dbraw/zinc/14/43/65/443144365.db2.gz NTJLYTIOBJSIND-CQSZACIVSA-N 2 1 344.459 1.020 20 0 EDADMP C[C@H]1CN(C)CCN1C(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261735079 443166534 /nfs/dbraw/zinc/16/65/34/443166534.db2.gz LFWKKPQHSDHZTA-NHYWBVRUSA-N 2 1 340.265 1.786 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)cs1 ZINC000237721781 443180702 /nfs/dbraw/zinc/18/07/02/443180702.db2.gz SKFKUJAOZPKNPV-HUUCEWRRSA-N 2 1 336.505 1.907 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262267799 443188061 /nfs/dbraw/zinc/18/80/61/443188061.db2.gz MRTWQFBSNKBIHR-HOTGVXAUSA-N 2 1 333.480 1.198 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000262979544 443219393 /nfs/dbraw/zinc/21/93/93/443219393.db2.gz YMOZZBYKMAPJSR-KBAYOESNSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000262979544 443219396 /nfs/dbraw/zinc/21/93/96/443219396.db2.gz YMOZZBYKMAPJSR-KBAYOESNSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000269226762 443240731 /nfs/dbraw/zinc/24/07/31/443240731.db2.gz AKFCCYKINJSXRR-YJBOKZPZSA-N 2 1 330.432 1.074 20 0 EDADMP C[C@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000269226762 443240735 /nfs/dbraw/zinc/24/07/35/443240735.db2.gz AKFCCYKINJSXRR-YJBOKZPZSA-N 2 1 330.432 1.074 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000262656744 443206441 /nfs/dbraw/zinc/20/64/41/443206441.db2.gz VAQNBPWWGMCBMU-SQNIBIBYSA-N 2 1 338.540 1.402 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262656920 443206565 /nfs/dbraw/zinc/20/65/65/443206565.db2.gz CYEFTJQXRDWXMB-OAHLLOKOSA-N 2 1 325.497 1.772 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000269241163 443246767 /nfs/dbraw/zinc/24/67/67/443246767.db2.gz QTKIEBPDSPBOIR-IUODEOHRSA-N 2 1 325.840 1.437 20 0 EDADMP COC[C@@]1(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000382729456 319124830 /nfs/dbraw/zinc/12/48/30/319124830.db2.gz YZLUGENYMNDSJF-VQIMIIECSA-N 2 1 331.460 1.345 20 0 EDADMP COC[C@@]1(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000382729456 319124833 /nfs/dbraw/zinc/12/48/33/319124833.db2.gz YZLUGENYMNDSJF-VQIMIIECSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)COC1CC[NH2+]CC1 ZINC000382729461 319125197 /nfs/dbraw/zinc/12/51/97/319125197.db2.gz YZXLKBHDHMBIOE-INIZCTEOSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)COC1CC[NH2+]CC1 ZINC000382729461 319125198 /nfs/dbraw/zinc/12/51/98/319125198.db2.gz YZXLKBHDHMBIOE-INIZCTEOSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000411741166 319199537 /nfs/dbraw/zinc/19/95/37/319199537.db2.gz ZFTOAQUKXURRQX-QGZVFWFLSA-N 2 1 334.508 1.853 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCSC3(CCC3)CC2)CC1 ZINC000411870430 319210766 /nfs/dbraw/zinc/21/07/66/319210766.db2.gz ORQIPTCCXAEDID-UHFFFAOYSA-N 2 1 325.522 1.949 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000413849945 319293462 /nfs/dbraw/zinc/29/34/62/319293462.db2.gz ZHIZFIAWTYOLRZ-IAGOWNOFSA-N 3 1 339.528 1.138 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)C1 ZINC000413849945 319293463 /nfs/dbraw/zinc/29/34/63/319293463.db2.gz ZHIZFIAWTYOLRZ-IAGOWNOFSA-N 3 1 339.528 1.138 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)C1 ZINC000413849945 319293465 /nfs/dbraw/zinc/29/34/65/319293465.db2.gz ZHIZFIAWTYOLRZ-IAGOWNOFSA-N 3 1 339.528 1.138 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414319244 319324395 /nfs/dbraw/zinc/32/43/95/319324395.db2.gz NNEGLGOXDARUQU-UHFFFAOYSA-N 2 1 328.825 1.282 20 0 EDADMP C[C@@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(F)(F)F ZINC000414535196 319328931 /nfs/dbraw/zinc/32/89/31/319328931.db2.gz XXVCWNCNHVFFHU-GFCCVEGCSA-N 2 1 331.386 1.907 20 0 EDADMP CC(C)(C)[NH2+]CCN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000414689166 319342795 /nfs/dbraw/zinc/34/27/95/319342795.db2.gz FJBXJZAWVPSZML-KRWDZBQOSA-N 2 1 335.492 1.432 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000414692319 319343562 /nfs/dbraw/zinc/34/35/62/319343562.db2.gz ATZDRCUZECQKGB-CQSZACIVSA-N 2 1 332.448 1.193 20 0 EDADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000264415327 443284172 /nfs/dbraw/zinc/28/41/72/443284172.db2.gz KDZXJUKTLCJRIS-GOSISDBHSA-N 2 1 331.460 1.619 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000264415327 443284175 /nfs/dbraw/zinc/28/41/75/443284175.db2.gz KDZXJUKTLCJRIS-GOSISDBHSA-N 2 1 331.460 1.619 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCN1CCOCC1(C)C ZINC000246017765 443263263 /nfs/dbraw/zinc/26/32/63/443263263.db2.gz MTLPLPBUXASPKT-HOTGVXAUSA-N 2 1 340.512 1.517 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000416851498 319466806 /nfs/dbraw/zinc/46/68/06/319466806.db2.gz RDKKSXYUBKZGPW-GOEBONIOSA-N 2 1 334.464 1.691 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416946059 319482046 /nfs/dbraw/zinc/48/20/46/319482046.db2.gz WRNJUGJGUZMIGR-ZACQAIPSSA-N 2 1 340.512 1.550 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272463449 443327239 /nfs/dbraw/zinc/32/72/39/443327239.db2.gz OTAIKBJFUKPVJI-QYZOEREBSA-N 2 1 344.503 1.895 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)N(C)CCCn1cc[nH+]c1C ZINC000269518466 443334309 /nfs/dbraw/zinc/33/43/09/443334309.db2.gz VGEXLRWOYWQMLM-UHFFFAOYSA-N 2 1 325.457 1.191 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N(C)CCCn1cc[nH+]c1C ZINC000269518466 443334311 /nfs/dbraw/zinc/33/43/11/443334311.db2.gz VGEXLRWOYWQMLM-UHFFFAOYSA-N 2 1 325.457 1.191 20 0 EDADMP Cc1ccn2cc(CNC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)nc2c1 ZINC000272498392 443340814 /nfs/dbraw/zinc/34/08/14/443340814.db2.gz VIBDJKHZNFLACW-GOEBONIOSA-N 2 1 327.432 1.878 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NC(=O)NCC(C)C ZINC000191471669 443299316 /nfs/dbraw/zinc/29/93/16/443299316.db2.gz RWXIIWVTUHBIFQ-UHFFFAOYSA-N 2 1 337.468 1.639 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NC(=O)NCC(C)C ZINC000191471669 443299319 /nfs/dbraw/zinc/29/93/19/443299319.db2.gz RWXIIWVTUHBIFQ-UHFFFAOYSA-N 2 1 337.468 1.639 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000278602966 443374662 /nfs/dbraw/zinc/37/46/62/443374662.db2.gz IXAIFIHGPBXVHP-KRWDZBQOSA-N 2 1 331.460 1.870 20 0 EDADMP C[NH2+]CCCN1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000420382140 319612548 /nfs/dbraw/zinc/61/25/48/319612548.db2.gz YKEAPNIKBRNEDY-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264736593 443397857 /nfs/dbraw/zinc/39/78/57/443397857.db2.gz FVNVLXDHIBLMCP-FUHWJXTLSA-N 2 1 332.492 1.432 20 0 EDADMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000423405940 319772012 /nfs/dbraw/zinc/77/20/12/319772012.db2.gz JWLIDPCVBJMORT-ZLKJLUDKSA-N 2 1 341.249 1.833 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000272270384 443574531 /nfs/dbraw/zinc/57/45/31/443574531.db2.gz NRSJUOYNCHLQAU-XIRDDKMYSA-N 2 1 333.501 1.972 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272282528 443578893 /nfs/dbraw/zinc/57/88/93/443578893.db2.gz BVOQZKGQORUEEP-ROUUACIJSA-N 2 1 330.476 1.984 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000439955847 320055675 /nfs/dbraw/zinc/05/56/75/320055675.db2.gz FOVPXQHKVWAASD-FUHWJXTLSA-N 2 1 335.492 1.574 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000439970613 320056567 /nfs/dbraw/zinc/05/65/67/320056567.db2.gz IEHDGCCRIATEGE-GASCZTMLSA-N 2 1 335.448 1.982 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000439970613 320056569 /nfs/dbraw/zinc/05/65/69/320056569.db2.gz IEHDGCCRIATEGE-GASCZTMLSA-N 2 1 335.448 1.982 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000286195325 443665606 /nfs/dbraw/zinc/66/56/06/443665606.db2.gz RYDBDCZSPYYONX-LMSBXDPUSA-N 2 1 331.460 1.390 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000286195325 443665610 /nfs/dbraw/zinc/66/56/10/443665610.db2.gz RYDBDCZSPYYONX-LMSBXDPUSA-N 2 1 331.460 1.390 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276200615 443668456 /nfs/dbraw/zinc/66/84/56/443668456.db2.gz YLBFQSCATZUMGY-UHFFFAOYSA-N 2 1 336.480 1.168 20 0 EDADMP CC[C@H](CNS(C)(=O)=O)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449443070 320191517 /nfs/dbraw/zinc/19/15/17/320191517.db2.gz PBNVGYYISJCXQY-INMHGKMJSA-N 2 1 345.553 1.947 20 0 EDADMP CC[NH+]1CCN(c2ccccc2CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000449522015 320193522 /nfs/dbraw/zinc/19/35/22/320193522.db2.gz KDWNAQJHYOMDAD-AZUAARDMSA-N 2 1 328.504 1.964 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000449522015 320193523 /nfs/dbraw/zinc/19/35/23/320193523.db2.gz KDWNAQJHYOMDAD-AZUAARDMSA-N 2 1 328.504 1.964 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000449522015 320193525 /nfs/dbraw/zinc/19/35/25/320193525.db2.gz KDWNAQJHYOMDAD-AZUAARDMSA-N 2 1 328.504 1.964 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)cc2F)CC1 ZINC000449729375 320203051 /nfs/dbraw/zinc/20/30/51/320203051.db2.gz ZGOUHXMAQWFEIA-ZBFHGGJFSA-N 2 1 348.466 1.825 20 0 EDADMP COCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000450674852 320221669 /nfs/dbraw/zinc/22/16/69/320221669.db2.gz CGCSGDOPMQZSTQ-KBXCAEBGSA-N 2 1 333.432 1.855 20 0 EDADMP COCCOC[C@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000450674855 320221732 /nfs/dbraw/zinc/22/17/32/320221732.db2.gz CGCSGDOPMQZSTQ-RDTXWAMCSA-N 2 1 333.432 1.855 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NCC[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC000458711509 320339209 /nfs/dbraw/zinc/33/92/09/320339209.db2.gz FOYGQIWKYMZPNG-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC000458711509 320339210 /nfs/dbraw/zinc/33/92/10/320339210.db2.gz FOYGQIWKYMZPNG-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000458711509 320339211 /nfs/dbraw/zinc/33/92/11/320339211.db2.gz FOYGQIWKYMZPNG-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC(C)(C)CCC[NH+](C)C)CCCO1 ZINC000458733417 320339766 /nfs/dbraw/zinc/33/97/66/320339766.db2.gz SXTFJDJFOFNGQR-MRXNPFEDSA-N 2 1 342.528 1.907 20 0 EDADMP C[NH+](C)CCC1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000458851735 320342945 /nfs/dbraw/zinc/34/29/45/320342945.db2.gz VEOBHXOEDWVWHV-UHFFFAOYSA-N 2 1 326.485 1.082 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000458852793 320343195 /nfs/dbraw/zinc/34/31/95/320343195.db2.gz NYSJYZHXDXYFIM-IRXDYDNUSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(C(N)=O)=NO2)CC[N@@H+]1Cc1ccccc1 ZINC000276536152 443738649 /nfs/dbraw/zinc/73/86/49/443738649.db2.gz WYTCYYVRZPBYGO-VNQPRFMTSA-N 2 1 330.432 1.259 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(C(N)=O)=NO2)CC[N@H+]1Cc1ccccc1 ZINC000276536152 443738653 /nfs/dbraw/zinc/73/86/53/443738653.db2.gz WYTCYYVRZPBYGO-VNQPRFMTSA-N 2 1 330.432 1.259 20 0 EDADMP O=C(N1CC[NH+](CCc2cccs2)CC1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280919873 443774480 /nfs/dbraw/zinc/77/44/80/443774480.db2.gz TYNUKAUHFDHINZ-QAPCUYQASA-N 2 1 333.501 1.825 20 0 EDADMP COc1cc(C[NH+]2CC[C@@](C)(O)C2)cc(C[N@H+]2CC[C@](C)(O)C2)c1 ZINC000292751617 443835064 /nfs/dbraw/zinc/83/50/64/443835064.db2.gz WWPRYVSIJVRHCU-KDURUIRLSA-N 2 1 334.460 1.609 20 0 EDADMP COc1cc(C[NH+]2CC[C@](C)(O)C2)cc(C[N@@H+]2CC[C@@](C)(O)C2)c1 ZINC000292751617 443835069 /nfs/dbraw/zinc/83/50/69/443835069.db2.gz WWPRYVSIJVRHCU-KDURUIRLSA-N 2 1 334.460 1.609 20 0 EDADMP COc1cc(C[NH+]2CC[C@](C)(O)C2)cc(C[N@H+]2CC[C@@](C)(O)C2)c1 ZINC000292751617 443835073 /nfs/dbraw/zinc/83/50/73/443835073.db2.gz WWPRYVSIJVRHCU-KDURUIRLSA-N 2 1 334.460 1.609 20 0 EDADMP COCc1ccccc1CNC(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292832525 443853952 /nfs/dbraw/zinc/85/39/52/443853952.db2.gz AODJGXKCDMZLCS-HXUWFJFHSA-N 2 1 345.487 1.867 20 0 EDADMP O=C1C[C@@]2(CC[N@@H+](CCCN3CCN(c4ccccc4)CC3)C2)CN1 ZINC000285261146 443915978 /nfs/dbraw/zinc/91/59/78/443915978.db2.gz IZVAWGMUEBFDDP-FQEVSTJZSA-N 2 1 342.487 1.411 20 0 EDADMP [NH3+]CC[C@@H]1CCCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000281630812 443964226 /nfs/dbraw/zinc/96/42/26/443964226.db2.gz DCDIZWPNXISXGT-RBUKOAKNSA-N 2 1 345.487 1.865 20 0 EDADMP [NH3+]CC[C@@H]1CCCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000281630812 443964231 /nfs/dbraw/zinc/96/42/31/443964231.db2.gz DCDIZWPNXISXGT-RBUKOAKNSA-N 2 1 345.487 1.865 20 0 EDADMP CC[NH+](CC)CCCNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000299118380 443959969 /nfs/dbraw/zinc/95/99/69/443959969.db2.gz ZUCSGRJVFUCABW-UHFFFAOYSA-N 2 1 346.519 1.896 20 0 EDADMP O=C1COc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc2N1 ZINC000293511213 444038435 /nfs/dbraw/zinc/03/84/35/444038435.db2.gz CCWBCMHQYQFZMG-OAHLLOKOSA-N 2 1 345.443 1.608 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000549625825 320906954 /nfs/dbraw/zinc/90/69/54/320906954.db2.gz JOXHFHUMIZOMKP-NVXWUHKLSA-N 2 1 326.481 1.255 20 0 EDADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000299575041 444083431 /nfs/dbraw/zinc/08/34/31/444083431.db2.gz HXNKLGZCGLWYIV-UHFFFAOYSA-N 2 1 325.403 1.855 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@H]2CCC[NH+]2C)[C@@H](c2ccccc2)C1 ZINC000299530244 444071576 /nfs/dbraw/zinc/07/15/76/444071576.db2.gz NANRVJOVZJEOHP-RTBURBONSA-N 2 1 344.503 1.576 20 0 EDADMP CN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](c2ccccc2)C1 ZINC000299530244 444071577 /nfs/dbraw/zinc/07/15/77/444071577.db2.gz NANRVJOVZJEOHP-RTBURBONSA-N 2 1 344.503 1.576 20 0 EDADMP CN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C)[C@@H](c2ccccc2)C1 ZINC000299530244 444071578 /nfs/dbraw/zinc/07/15/78/444071578.db2.gz NANRVJOVZJEOHP-RTBURBONSA-N 2 1 344.503 1.576 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000299530244 444071579 /nfs/dbraw/zinc/07/15/79/444071579.db2.gz NANRVJOVZJEOHP-RTBURBONSA-N 2 1 344.503 1.576 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCCCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000299530244 444071580 /nfs/dbraw/zinc/07/15/80/444071580.db2.gz NANRVJOVZJEOHP-RTBURBONSA-N 2 1 344.503 1.576 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000299530244 444071581 /nfs/dbraw/zinc/07/15/81/444071581.db2.gz NANRVJOVZJEOHP-RTBURBONSA-N 2 1 344.503 1.576 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000299530244 444071582 /nfs/dbraw/zinc/07/15/82/444071582.db2.gz NANRVJOVZJEOHP-RTBURBONSA-N 2 1 344.503 1.576 20 0 EDADMP COCCOCc1ccc(C[N@@H+](CCO)C2CCN(C)CC2)cc1 ZINC000289157955 444065575 /nfs/dbraw/zinc/06/55/75/444065575.db2.gz QVIIUWOOYCRKKI-UHFFFAOYSA-N 2 1 336.476 1.738 20 0 EDADMP COCCOCc1ccc(CN(CCO)C2CC[NH+](C)CC2)cc1 ZINC000289157955 444065579 /nfs/dbraw/zinc/06/55/79/444065579.db2.gz QVIIUWOOYCRKKI-UHFFFAOYSA-N 2 1 336.476 1.738 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000561128217 321034038 /nfs/dbraw/zinc/03/40/38/321034038.db2.gz NWBHIWYUJFNSJK-JKSUJKDBSA-N 2 1 326.485 1.114 20 0 EDADMP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000562293966 321050231 /nfs/dbraw/zinc/05/02/31/321050231.db2.gz PSIQMNKFYIXPBY-ZWKOTPCHSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000562768215 321075726 /nfs/dbraw/zinc/07/57/26/321075726.db2.gz YSUPYMHRGGFVSP-AWEZNQCLSA-N 2 1 346.475 1.641 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562804058 321077257 /nfs/dbraw/zinc/07/72/57/321077257.db2.gz LIPHSOAEMNSRJM-YQQAZPJKSA-N 2 1 334.464 1.265 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562804058 321077258 /nfs/dbraw/zinc/07/72/58/321077258.db2.gz LIPHSOAEMNSRJM-YQQAZPJKSA-N 2 1 334.464 1.265 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000563060634 321091928 /nfs/dbraw/zinc/09/19/28/321091928.db2.gz UNMFYZPFRHSPJV-CVEARBPZSA-N 2 1 348.495 1.415 20 0 EDADMP CN(C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C1(C[NH3+])CCC1 ZINC000563713888 321112772 /nfs/dbraw/zinc/11/27/72/321112772.db2.gz GZLGLJWOEQLTAS-UHFFFAOYSA-N 2 1 330.476 1.387 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cc(C)on3)CC2)CC1 ZINC000565314196 321181394 /nfs/dbraw/zinc/18/13/94/321181394.db2.gz VFXCOSUPZUUJRV-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@@](C)(CC)CO)CC2)CC1 ZINC000568228164 321282967 /nfs/dbraw/zinc/28/29/67/321282967.db2.gz QLACJCKNTRDIBR-SFHVURJKSA-N 2 1 325.497 1.414 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)[C@@](C)(CC)CO)CC2)CC1 ZINC000568228164 321282969 /nfs/dbraw/zinc/28/29/69/321282969.db2.gz QLACJCKNTRDIBR-SFHVURJKSA-N 2 1 325.497 1.414 20 0 EDADMP CN(CCC[NH3+])C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000568230464 321283266 /nfs/dbraw/zinc/28/32/66/321283266.db2.gz CQSXTIFSNAFTTJ-CQSZACIVSA-N 2 1 339.509 1.027 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000568288196 321286161 /nfs/dbraw/zinc/28/61/61/321286161.db2.gz XBUSLUJPFYPAGM-OALUTQOASA-N 2 1 344.503 1.944 20 0 EDADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000569185114 321320487 /nfs/dbraw/zinc/32/04/87/321320487.db2.gz QRUHQKXGRAOXPX-GDBMZVCRSA-N 2 1 326.448 1.971 20 0 EDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000569185114 321320488 /nfs/dbraw/zinc/32/04/88/321320488.db2.gz QRUHQKXGRAOXPX-GDBMZVCRSA-N 2 1 326.448 1.971 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)N1CCO[C@H](CC)C1 ZINC000571429288 321386875 /nfs/dbraw/zinc/38/68/75/321386875.db2.gz MKGSXDSBOQIWFI-BBWFWOEESA-N 2 1 325.497 1.866 20 0 EDADMP CCc1cc(N(C)C[C@H](O)CN2CC[NH+](C)CC2)c2ccccc2[nH+]1 ZINC000302696224 444220482 /nfs/dbraw/zinc/22/04/82/444220482.db2.gz WLQKYRVOFCMMJJ-KRWDZBQOSA-N 2 1 342.487 1.842 20 0 EDADMP COC(=O)c1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)[nH]1 ZINC000290164416 444249988 /nfs/dbraw/zinc/24/99/88/444249988.db2.gz MCQFZDZHMVFDOT-UHFFFAOYSA-N 2 1 346.431 1.817 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCO)[C@@H]2CCc3ccccc32)CC1 ZINC000304762894 444253014 /nfs/dbraw/zinc/25/30/14/444253014.db2.gz WDSXMNNMYJIZDQ-LJQANCHMSA-N 2 1 345.487 1.569 20 0 EDADMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000290046038 444234660 /nfs/dbraw/zinc/23/46/60/444234660.db2.gz RHEGNCBUXURRKZ-FQEVSTJZSA-N 2 1 346.519 1.475 20 0 EDADMP Cc1cc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc(N2CCCC2)n1 ZINC000290694466 444311472 /nfs/dbraw/zinc/31/14/72/444311472.db2.gz JIHGOVICGLWWEL-INIZCTEOSA-N 2 1 331.464 1.884 20 0 EDADMP Cc1cc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc(N2CCCC2)[nH+]1 ZINC000290694466 444311476 /nfs/dbraw/zinc/31/14/76/444311476.db2.gz JIHGOVICGLWWEL-INIZCTEOSA-N 2 1 331.464 1.884 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000324104411 444350263 /nfs/dbraw/zinc/35/02/63/444350263.db2.gz JOFGPFULBRTLSP-FJIDUMEYSA-N 2 1 328.497 1.331 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000324104411 444350267 /nfs/dbraw/zinc/35/02/67/444350267.db2.gz JOFGPFULBRTLSP-FJIDUMEYSA-N 2 1 328.497 1.331 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000324104411 444350272 /nfs/dbraw/zinc/35/02/72/444350272.db2.gz JOFGPFULBRTLSP-FJIDUMEYSA-N 2 1 328.497 1.331 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000324104411 444350276 /nfs/dbraw/zinc/35/02/76/444350276.db2.gz JOFGPFULBRTLSP-FJIDUMEYSA-N 2 1 328.497 1.331 20 0 EDADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CCCN(C=O)CC3)c2cc1C ZINC000297757205 444329682 /nfs/dbraw/zinc/32/96/82/444329682.db2.gz UQLTXPWOVZDPGV-MRXNPFEDSA-N 2 1 330.432 1.178 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3[nH]cnc3C)CC2)CC1 ZINC000580091691 322009119 /nfs/dbraw/zinc/00/91/19/322009119.db2.gz JOMLGXJEQMKEMG-UHFFFAOYSA-N 2 1 333.480 1.531 20 0 EDADMP C[C@H](CNC(=O)NCC1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000580300204 322032834 /nfs/dbraw/zinc/03/28/34/322032834.db2.gz YWWCEVVCPMUKRT-OAHLLOKOSA-N 2 1 330.476 1.732 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN(Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000580826599 322099967 /nfs/dbraw/zinc/09/99/67/322099967.db2.gz KCDODHPRAOULFI-ROUUACIJSA-N 2 1 336.476 1.989 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000580838802 322102435 /nfs/dbraw/zinc/10/24/35/322102435.db2.gz IGKGUAIYIVHGEW-UHFFFAOYSA-N 2 1 337.468 1.382 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000580960707 322118328 /nfs/dbraw/zinc/11/83/28/322118328.db2.gz ANYSHKFMTFUSAH-SQNIBIBYSA-N 2 1 336.524 1.345 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000581372672 322170504 /nfs/dbraw/zinc/17/05/04/322170504.db2.gz SOSAFIOINITMBH-INIZCTEOSA-N 2 1 348.516 1.020 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC2([NH3+])CCCCCC2)[C@@H](C)C1 ZINC000581478367 322182069 /nfs/dbraw/zinc/18/20/69/322182069.db2.gz GWSGYNCQEGWQBU-LSDHHAIUSA-N 2 1 326.485 1.135 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000581597161 322196640 /nfs/dbraw/zinc/19/66/40/322196640.db2.gz KPSQMZRPCOHEGD-DLBZAZTESA-N 2 1 332.448 1.020 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@]34C[C@H]3CC[NH2+]4)CC[N@@H+]2C2CC2)c1 ZINC000581997293 322242228 /nfs/dbraw/zinc/24/22/28/322242228.db2.gz UXGXQXJOJQKMRZ-GBYFWLHCSA-N 2 1 341.455 1.841 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@]34C[C@H]3CC[NH2+]4)CC[N@H+]2C2CC2)c1 ZINC000581997293 322242230 /nfs/dbraw/zinc/24/22/30/322242230.db2.gz UXGXQXJOJQKMRZ-GBYFWLHCSA-N 2 1 341.455 1.841 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000332862123 444576696 /nfs/dbraw/zinc/57/66/96/444576696.db2.gz QGBWZMWPSSIQSQ-GOEBONIOSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@H+]1C ZINC000332862123 444576700 /nfs/dbraw/zinc/57/67/00/444576700.db2.gz QGBWZMWPSSIQSQ-GOEBONIOSA-N 2 1 333.480 1.231 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000332940902 444604918 /nfs/dbraw/zinc/60/49/18/444604918.db2.gz IRVHYZYSHROYJM-GOEBONIOSA-N 2 1 338.496 1.004 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+](Cc2ccccc2)CC(C)(C)O)CC1 ZINC000338281539 444609099 /nfs/dbraw/zinc/60/90/99/444609099.db2.gz NOHLGLDUCQRTHS-UHFFFAOYSA-N 2 1 333.476 1.424 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2ccccc2)CC(C)(C)O)CC1 ZINC000338281539 444609102 /nfs/dbraw/zinc/60/91/02/444609102.db2.gz NOHLGLDUCQRTHS-UHFFFAOYSA-N 2 1 333.476 1.424 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000338300358 444618362 /nfs/dbraw/zinc/61/83/62/444618362.db2.gz GWOOLHNMGGJXBY-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000338300358 444618365 /nfs/dbraw/zinc/61/83/65/444618365.db2.gz GWOOLHNMGGJXBY-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000338300358 444618367 /nfs/dbraw/zinc/61/83/67/444618367.db2.gz GWOOLHNMGGJXBY-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000333821628 444700712 /nfs/dbraw/zinc/70/07/12/444700712.db2.gz KXUUUZOOVOUJPT-UUAJXVIYSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000333821628 444700714 /nfs/dbraw/zinc/70/07/14/444700714.db2.gz KXUUUZOOVOUJPT-UUAJXVIYSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000333888828 444708614 /nfs/dbraw/zinc/70/86/14/444708614.db2.gz XTEYXYKCJSFKNY-CRAIPNDOSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000333939291 444724334 /nfs/dbraw/zinc/72/43/34/444724334.db2.gz NDMIYOOVJYWXSD-GASCZTMLSA-N 2 1 338.496 1.127 20 0 EDADMP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000333945276 444724999 /nfs/dbraw/zinc/72/49/99/444724999.db2.gz SPPIPVGQSOQVGD-GOSISDBHSA-N 2 1 343.475 1.612 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCC[NH+](C)Cc2ccco2)C1 ZINC000344079929 444770212 /nfs/dbraw/zinc/77/02/12/444770212.db2.gz GRTSGNNFEMKWAT-QGZVFWFLSA-N 2 1 337.464 1.669 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2ccco2)C1 ZINC000344079929 444770216 /nfs/dbraw/zinc/77/02/16/444770216.db2.gz GRTSGNNFEMKWAT-QGZVFWFLSA-N 2 1 337.464 1.669 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC000344079929 444770219 /nfs/dbraw/zinc/77/02/19/444770219.db2.gz GRTSGNNFEMKWAT-QGZVFWFLSA-N 2 1 337.464 1.669 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)n1C ZINC000344095930 444779026 /nfs/dbraw/zinc/77/90/26/444779026.db2.gz SMTSBRVDFISJEV-UHFFFAOYSA-N 2 1 336.484 1.502 20 0 EDADMP CC[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1C[C@@H](C)O ZINC000334102915 444780792 /nfs/dbraw/zinc/78/07/92/444780792.db2.gz WYNJIBOTXJBGAS-YDZMOUMUSA-N 2 1 338.496 1.098 20 0 EDADMP CC[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1C[C@@H](C)O ZINC000334102915 444780795 /nfs/dbraw/zinc/78/07/95/444780795.db2.gz WYNJIBOTXJBGAS-YDZMOUMUSA-N 2 1 338.496 1.098 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C[C@@H]1CC ZINC000342650456 444796847 /nfs/dbraw/zinc/79/68/47/444796847.db2.gz JOWCQKGQFPYAJW-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1CC ZINC000342650456 444796849 /nfs/dbraw/zinc/79/68/49/444796849.db2.gz JOWCQKGQFPYAJW-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1CC ZINC000342650456 444796851 /nfs/dbraw/zinc/79/68/51/444796851.db2.gz JOWCQKGQFPYAJW-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000336878481 444824384 /nfs/dbraw/zinc/82/43/84/444824384.db2.gz FQAVWYNPXYKQHH-OAFZBRQQSA-N 2 1 337.508 1.900 20 0 EDADMP C[C@@H]1C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC[N@H+]1C ZINC000344219666 444845687 /nfs/dbraw/zinc/84/56/87/444845687.db2.gz ZJAKKRNIIZIOEU-IAGOWNOFSA-N 3 1 326.529 1.449 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+][C@@H]3C)c2)CCO1 ZINC000342765392 444856526 /nfs/dbraw/zinc/85/65/26/444856526.db2.gz NTMDTVFAGVILDB-MDZRGWNJSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+][C@@H]3C)c2)CCO1 ZINC000342765392 444856531 /nfs/dbraw/zinc/85/65/31/444856531.db2.gz NTMDTVFAGVILDB-MDZRGWNJSA-N 2 1 345.487 1.912 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000342864955 444901501 /nfs/dbraw/zinc/90/15/01/444901501.db2.gz ROBFQFRFMYXYQQ-OAHLLOKOSA-N 2 1 347.415 1.682 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000342864955 444901507 /nfs/dbraw/zinc/90/15/07/444901507.db2.gz ROBFQFRFMYXYQQ-OAHLLOKOSA-N 2 1 347.415 1.682 20 0 EDADMP CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000341636255 444928098 /nfs/dbraw/zinc/92/80/98/444928098.db2.gz LBBVNCMOCJMZLB-HOCLYGCPSA-N 2 1 340.512 1.022 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCC[N@H+]1C ZINC000344422455 444958929 /nfs/dbraw/zinc/95/89/29/444958929.db2.gz HCWUGBDNUWMBEC-PBHICJAKSA-N 2 1 346.475 1.328 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)CCN1C1CC[NH+](C)CC1 ZINC000339061305 445013921 /nfs/dbraw/zinc/01/39/21/445013921.db2.gz HMUKWPXXGNMFPT-UZLBHIALSA-N 2 1 349.494 1.829 20 0 EDADMP CCc1cc(OC)ccc1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000337347604 445042316 /nfs/dbraw/zinc/04/23/16/445042316.db2.gz XSCJJKIXVYIDMR-QGZVFWFLSA-N 2 1 333.476 1.935 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343150513 445098904 /nfs/dbraw/zinc/09/89/04/445098904.db2.gz KJPDTUIEIJHNLD-ZACQAIPSSA-N 2 1 336.524 1.249 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)[NH+]1CCSCC1 ZINC000343197458 445129072 /nfs/dbraw/zinc/12/90/72/445129072.db2.gz JIXXBLWFRJSPPQ-GJZGRUSLSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)[NH+]1CCSCC1 ZINC000343197458 445129074 /nfs/dbraw/zinc/12/90/74/445129074.db2.gz JIXXBLWFRJSPPQ-GJZGRUSLSA-N 2 1 341.521 1.135 20 0 EDADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000343254281 445163283 /nfs/dbraw/zinc/16/32/83/445163283.db2.gz AZSODNQGOYMQIQ-LULLPPNCSA-N 2 1 334.460 1.481 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000339941062 445185479 /nfs/dbraw/zinc/18/54/79/445185479.db2.gz CMOOWLQQHABRST-OAGGEKHMSA-N 2 1 342.528 1.904 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000339941062 445185482 /nfs/dbraw/zinc/18/54/82/445185482.db2.gz CMOOWLQQHABRST-OAGGEKHMSA-N 2 1 342.528 1.904 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000345486156 445188163 /nfs/dbraw/zinc/18/81/63/445188163.db2.gz WMKVGDOJYOBWKS-IKGGRYGDSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000345486156 445188165 /nfs/dbraw/zinc/18/81/65/445188165.db2.gz WMKVGDOJYOBWKS-IKGGRYGDSA-N 2 1 340.512 1.347 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000343218200 445145109 /nfs/dbraw/zinc/14/51/09/445145109.db2.gz SDNAJLPKOOEJAQ-SJORKVTESA-N 2 1 335.517 1.713 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H](C)C[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000346182824 445207867 /nfs/dbraw/zinc/20/78/67/445207867.db2.gz DXXYGNJBGGBHPH-ARFHVFGLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000343428210 445221079 /nfs/dbraw/zinc/22/10/79/445221079.db2.gz ATLKOKPYZJCTSN-LNLFQRSKSA-N 2 1 344.503 1.701 20 0 EDADMP Cn1nccc1[C@@H]1[C@H](C[N@@H+](C)C[C@@H](O)C(F)(F)F)CCCN1C ZINC000346932178 445228258 /nfs/dbraw/zinc/22/82/58/445228258.db2.gz PXDOEOBYRMTDLG-YUTCNCBUSA-N 2 1 334.386 1.658 20 0 EDADMP CN(C[C@@H](O)C(F)(F)F)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346932178 445228259 /nfs/dbraw/zinc/22/82/59/445228259.db2.gz PXDOEOBYRMTDLG-YUTCNCBUSA-N 2 1 334.386 1.658 20 0 EDADMP CN(C[C@@H](O)C(F)(F)F)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346932178 445228261 /nfs/dbraw/zinc/22/82/61/445228261.db2.gz PXDOEOBYRMTDLG-YUTCNCBUSA-N 2 1 334.386 1.658 20 0 EDADMP CN(CC(=O)N1CCCCC1)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346929082 445228461 /nfs/dbraw/zinc/22/84/61/445228461.db2.gz NKYZTQDKXQZIPY-VQIMIIECSA-N 2 1 347.507 1.747 20 0 EDADMP Cn1nccc1[C@H]1[C@@H](C[N@H+](C)CC(=O)N2CCCCC2)CCCN1C ZINC000346929082 445228462 /nfs/dbraw/zinc/22/84/62/445228462.db2.gz NKYZTQDKXQZIPY-VQIMIIECSA-N 2 1 347.507 1.747 20 0 EDADMP Cn1nccc1[C@H]1[C@@H](C[N@@H+](C)CC(=O)N2CCCCC2)CCCN1C ZINC000346929082 445228464 /nfs/dbraw/zinc/22/84/64/445228464.db2.gz NKYZTQDKXQZIPY-VQIMIIECSA-N 2 1 347.507 1.747 20 0 EDADMP Cn1ccnc1CN1C[C@H](F)C[C@@H]1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348102380 445268975 /nfs/dbraw/zinc/26/89/75/445268975.db2.gz NKJPXYNRTUGVCS-IXDOHACOSA-N 2 1 337.487 1.749 20 0 EDADMP Cn1ccnc1CN1C[C@H](F)C[C@@H]1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348102380 445268977 /nfs/dbraw/zinc/26/89/77/445268977.db2.gz NKJPXYNRTUGVCS-IXDOHACOSA-N 2 1 337.487 1.749 20 0 EDADMP Cn1ccnc1CN1C[C@H](F)C[C@@H]1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348102380 445268981 /nfs/dbraw/zinc/26/89/81/445268981.db2.gz NKJPXYNRTUGVCS-IXDOHACOSA-N 2 1 337.487 1.749 20 0 EDADMP O=C1[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCN1C1CC1 ZINC000348307424 445250437 /nfs/dbraw/zinc/25/04/37/445250437.db2.gz PCBKFIQIYOEPNY-ZIFCJYIRSA-N 2 1 325.456 1.814 20 0 EDADMP O=C1[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCN1C1CC1 ZINC000348307424 445250442 /nfs/dbraw/zinc/25/04/42/445250442.db2.gz PCBKFIQIYOEPNY-ZIFCJYIRSA-N 2 1 325.456 1.814 20 0 EDADMP O=C1[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCN1C1CC1 ZINC000348307424 445250445 /nfs/dbraw/zinc/25/04/45/445250445.db2.gz PCBKFIQIYOEPNY-ZIFCJYIRSA-N 2 1 325.456 1.814 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CCC[N@H+]1C ZINC000343619079 445265960 /nfs/dbraw/zinc/26/59/60/445265960.db2.gz JQPKDBOCBXIIEF-YJBOKZPZSA-N 2 1 348.491 1.909 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCSCC[C@@H]2C)C1 ZINC000348187993 445310421 /nfs/dbraw/zinc/31/04/21/445310421.db2.gz QVPWXODBKAUGFQ-HOTGVXAUSA-N 2 1 343.537 1.287 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCSCC[C@@H]2C)C1 ZINC000348187993 445310423 /nfs/dbraw/zinc/31/04/23/445310423.db2.gz QVPWXODBKAUGFQ-HOTGVXAUSA-N 2 1 343.537 1.287 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCSCC[C@@H]2C)C1 ZINC000348187993 445310425 /nfs/dbraw/zinc/31/04/25/445310425.db2.gz QVPWXODBKAUGFQ-HOTGVXAUSA-N 2 1 343.537 1.287 20 0 EDADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000351708510 445284833 /nfs/dbraw/zinc/28/48/33/445284833.db2.gz XOMMVRGNUYTUPD-DOTOQJQBSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000351850553 445342636 /nfs/dbraw/zinc/34/26/36/445342636.db2.gz IUHMMZZEDSDBJA-YXWQFLTLSA-N 2 1 347.459 1.693 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000351850553 445342640 /nfs/dbraw/zinc/34/26/40/445342640.db2.gz IUHMMZZEDSDBJA-YXWQFLTLSA-N 2 1 347.459 1.693 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000351859128 445345251 /nfs/dbraw/zinc/34/52/51/445345251.db2.gz ZZPQTUVVEFKCHQ-SJORKVTESA-N 2 1 330.476 1.313 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000351859128 445345254 /nfs/dbraw/zinc/34/52/54/445345254.db2.gz ZZPQTUVVEFKCHQ-SJORKVTESA-N 2 1 330.476 1.313 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000351863713 445347319 /nfs/dbraw/zinc/34/73/19/445347319.db2.gz UQUKAPDKPPTVHA-CABCVRRESA-N 2 1 344.459 1.811 20 0 EDADMP CN1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000359660797 445362179 /nfs/dbraw/zinc/36/21/79/445362179.db2.gz XDWWVRXCPRLIRB-QYZOEREBSA-N 2 1 343.471 1.298 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000359660797 445362182 /nfs/dbraw/zinc/36/21/82/445362182.db2.gz XDWWVRXCPRLIRB-QYZOEREBSA-N 2 1 343.471 1.298 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000359660797 445362187 /nfs/dbraw/zinc/36/21/87/445362187.db2.gz XDWWVRXCPRLIRB-QYZOEREBSA-N 2 1 343.471 1.298 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000359660797 445362191 /nfs/dbraw/zinc/36/21/91/445362191.db2.gz XDWWVRXCPRLIRB-QYZOEREBSA-N 2 1 343.471 1.298 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000359660797 445362194 /nfs/dbraw/zinc/36/21/94/445362194.db2.gz XDWWVRXCPRLIRB-QYZOEREBSA-N 2 1 343.471 1.298 20 0 EDADMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)cn2)CC1 ZINC000362476036 445401789 /nfs/dbraw/zinc/40/17/89/445401789.db2.gz DXUVFYFIHDRQAP-NVXWUHKLSA-N 2 1 345.491 1.037 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NCCNc1cc[nH+]cc1)c1cccc(Cl)c1 ZINC000348887306 445430358 /nfs/dbraw/zinc/43/03/58/445430358.db2.gz BDWKSHUTYJTQTO-MRXNPFEDSA-N 2 1 332.835 1.988 20 0 EDADMP CN(C(=O)CCOC1C[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000349027369 445480509 /nfs/dbraw/zinc/48/05/09/445480509.db2.gz MLUHSGIBNMORSS-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](COC)Cc2ccccc2)CC1 ZINC000355794567 445481537 /nfs/dbraw/zinc/48/15/37/445481537.db2.gz ZZGPARDDWMKUPS-IBGZPJMESA-N 2 1 347.503 1.776 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](COC)Cc2ccccc2)CC1 ZINC000355794567 445481543 /nfs/dbraw/zinc/48/15/43/445481543.db2.gz ZZGPARDDWMKUPS-IBGZPJMESA-N 2 1 347.503 1.776 20 0 EDADMP COC1(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000348921874 445441601 /nfs/dbraw/zinc/44/16/01/445441601.db2.gz PBPJEDQDHRFLDN-UHFFFAOYSA-N 2 1 337.508 1.822 20 0 EDADMP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000362563815 445441853 /nfs/dbraw/zinc/44/18/53/445441853.db2.gz CWWQGZSGTUOZIH-CABCVRRESA-N 2 1 331.464 1.435 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000348951338 445452447 /nfs/dbraw/zinc/45/24/47/445452447.db2.gz VHZSIGSRFXPMBG-DOTOQJQBSA-N 2 1 333.480 1.261 20 0 EDADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000352060493 445465362 /nfs/dbraw/zinc/46/53/62/445465362.db2.gz UKGIXJZTZHXHEQ-DLBZAZTESA-N 2 1 326.529 1.541 20 0 EDADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)C[C@@H](C)O1 ZINC000362617581 445466193 /nfs/dbraw/zinc/46/61/93/445466193.db2.gz RCLITCLPHQBWQC-HZPDHXFCSA-N 2 1 347.507 1.864 20 0 EDADMP C[N@@H+](CCCNc1ccnc(N2CCOCC2)n1)Cc1ccccc1 ZINC000352398839 445527032 /nfs/dbraw/zinc/52/70/32/445527032.db2.gz QIZMPQZTZWREPY-UHFFFAOYSA-N 2 1 341.459 2.247 20 0 EDADMP C[N@H+](CCCNc1cc[nH+]c(N2CCOCC2)n1)Cc1ccccc1 ZINC000352398839 445527036 /nfs/dbraw/zinc/52/70/36/445527036.db2.gz QIZMPQZTZWREPY-UHFFFAOYSA-N 2 1 341.459 2.247 20 0 EDADMP C[N@@H+](CCCNc1cc[nH+]c(N2CCOCC2)n1)Cc1ccccc1 ZINC000352398839 445527039 /nfs/dbraw/zinc/52/70/39/445527039.db2.gz QIZMPQZTZWREPY-UHFFFAOYSA-N 2 1 341.459 2.247 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000359919844 445488983 /nfs/dbraw/zinc/48/89/83/445488983.db2.gz WXRZGWPSQFSDDV-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000362669923 445489942 /nfs/dbraw/zinc/48/99/42/445489942.db2.gz FRTXETDYPHELPB-UHFFFAOYSA-N 2 1 331.460 1.825 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000362669923 445489949 /nfs/dbraw/zinc/48/99/49/445489949.db2.gz FRTXETDYPHELPB-UHFFFAOYSA-N 2 1 331.460 1.825 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000359922568 445490036 /nfs/dbraw/zinc/49/00/36/445490036.db2.gz HKJQCROPJGTBSW-INIZCTEOSA-N 2 1 342.528 1.595 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000359922568 445490039 /nfs/dbraw/zinc/49/00/39/445490039.db2.gz HKJQCROPJGTBSW-INIZCTEOSA-N 2 1 342.528 1.595 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000359922568 445490047 /nfs/dbraw/zinc/49/00/47/445490047.db2.gz HKJQCROPJGTBSW-INIZCTEOSA-N 2 1 342.528 1.595 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)COc3ccccc3O)C2)CC1 ZINC000362791082 445551004 /nfs/dbraw/zinc/55/10/04/445551004.db2.gz FFPLTSKJLHQGMG-AWEZNQCLSA-N 2 1 333.432 1.056 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000360137677 445589659 /nfs/dbraw/zinc/58/96/59/445589659.db2.gz WDMALKTUGPLZRS-INIZCTEOSA-N 2 1 341.544 1.383 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000360137677 445589664 /nfs/dbraw/zinc/58/96/64/445589664.db2.gz WDMALKTUGPLZRS-INIZCTEOSA-N 2 1 341.544 1.383 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000360137677 445589667 /nfs/dbraw/zinc/58/96/67/445589667.db2.gz WDMALKTUGPLZRS-INIZCTEOSA-N 2 1 341.544 1.383 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000360137677 445589671 /nfs/dbraw/zinc/58/96/71/445589671.db2.gz WDMALKTUGPLZRS-INIZCTEOSA-N 2 1 341.544 1.383 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000360137677 445589674 /nfs/dbraw/zinc/58/96/74/445589674.db2.gz WDMALKTUGPLZRS-INIZCTEOSA-N 2 1 341.544 1.383 20 0 EDADMP COCC[NH+](CCOC)C1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000353028914 445572037 /nfs/dbraw/zinc/57/20/37/445572037.db2.gz ONVOBOXKWHNFMI-QGZVFWFLSA-N 2 1 327.513 1.530 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000349408591 445579360 /nfs/dbraw/zinc/57/93/60/445579360.db2.gz GDAJIIUMISNAPY-MRXNPFEDSA-N 2 1 340.512 1.166 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@@H](C)O1 ZINC000362939867 445618476 /nfs/dbraw/zinc/61/84/76/445618476.db2.gz GJMHMIOCYOHBPB-OAGGEKHMSA-N 2 1 334.464 1.766 20 0 EDADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NCCCOc1ccccc1F ZINC000358504515 445623851 /nfs/dbraw/zinc/62/38/51/445623851.db2.gz HAVBQOBFIUFKTN-UHFFFAOYSA-N 2 1 349.450 1.786 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000356110537 445626772 /nfs/dbraw/zinc/62/67/72/445626772.db2.gz RYCMNVUDYPEVES-HNNXBMFYSA-N 2 1 341.415 1.513 20 0 EDADMP C[N@@H+](CC(=O)N1CCN(Cc2cccs2)CC1)CC1(O)CCC1 ZINC000353532376 445645525 /nfs/dbraw/zinc/64/55/25/445645525.db2.gz UVDNLINKSHLXGX-UHFFFAOYSA-N 2 1 337.489 1.239 20 0 EDADMP CC(C)OCC[C@H](O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349851567 445698678 /nfs/dbraw/zinc/69/86/78/445698678.db2.gz HPLUNODISZZKKD-WMZOPIPTSA-N 2 1 327.513 1.263 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000349931992 445724743 /nfs/dbraw/zinc/72/47/43/445724743.db2.gz IFCJXBFAQKEFRB-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360742692 445730441 /nfs/dbraw/zinc/73/04/41/445730441.db2.gz ADLBRACKZFNQOV-VYDXJSESSA-N 2 1 340.537 1.692 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000358711713 445734339 /nfs/dbraw/zinc/73/43/39/445734339.db2.gz URMDESZQJHWNGO-SUMDDJOVSA-N 2 1 346.475 1.188 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000358711713 445734343 /nfs/dbraw/zinc/73/43/43/445734343.db2.gz URMDESZQJHWNGO-SUMDDJOVSA-N 2 1 346.475 1.188 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000358711713 445734346 /nfs/dbraw/zinc/73/43/46/445734346.db2.gz URMDESZQJHWNGO-SUMDDJOVSA-N 2 1 346.475 1.188 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C1CC[NH2+]CC1 ZINC000353762135 445743308 /nfs/dbraw/zinc/74/33/08/445743308.db2.gz XUHNXPUMGIZTLP-MRXNPFEDSA-N 2 1 339.480 1.252 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000358740940 445753219 /nfs/dbraw/zinc/75/32/19/445753219.db2.gz AKBULGIRWBLMOU-KBPBESRZSA-N 2 1 327.494 1.942 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000353959671 445828115 /nfs/dbraw/zinc/82/81/15/445828115.db2.gz GKKFMDYURAXHOU-KRWDZBQOSA-N 2 1 332.492 1.261 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000361583871 445832659 /nfs/dbraw/zinc/83/26/59/445832659.db2.gz SWCJOJUOMVOTFY-IKGGRYGDSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000361583871 445832662 /nfs/dbraw/zinc/83/26/62/445832662.db2.gz SWCJOJUOMVOTFY-IKGGRYGDSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000361583871 445832664 /nfs/dbraw/zinc/83/26/64/445832664.db2.gz SWCJOJUOMVOTFY-IKGGRYGDSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H](CNC(=O)c1ccnc(C[NH3+])c1)[N@@H+]1CCc2sccc2C1 ZINC000361610728 445846344 /nfs/dbraw/zinc/84/63/44/445846344.db2.gz OJLBDTVPVUDFHU-LBPRGKRZSA-N 2 1 330.457 1.778 20 0 EDADMP C[C@@H](CNC(=O)c1ccnc(C[NH3+])c1)[N@H+]1CCc2sccc2C1 ZINC000361610728 445846349 /nfs/dbraw/zinc/84/63/49/445846349.db2.gz OJLBDTVPVUDFHU-LBPRGKRZSA-N 2 1 330.457 1.778 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)C(C)C ZINC000354004084 445849220 /nfs/dbraw/zinc/84/92/20/445849220.db2.gz QKSZLKASLXDHKF-SJORKVTESA-N 2 1 342.528 1.592 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000356545321 445851956 /nfs/dbraw/zinc/85/19/56/445851956.db2.gz SYMBODDZYNFVBW-AEFFLSMTSA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000356545321 445851960 /nfs/dbraw/zinc/85/19/60/445851960.db2.gz SYMBODDZYNFVBW-AEFFLSMTSA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C1 ZINC000356545321 445851965 /nfs/dbraw/zinc/85/19/65/445851965.db2.gz SYMBODDZYNFVBW-AEFFLSMTSA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C1 ZINC000356545321 445851970 /nfs/dbraw/zinc/85/19/70/445851970.db2.gz SYMBODDZYNFVBW-AEFFLSMTSA-N 2 1 333.476 1.732 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1=CCOCC1 ZINC000369102635 445930565 /nfs/dbraw/zinc/93/05/65/445930565.db2.gz VDHTWBSJYRFMIM-UHFFFAOYSA-N 2 1 349.519 1.988 20 0 EDADMP CC(C)[N@H+]1C[C@H](NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)[C@@H](C)C1 ZINC000365962947 445931352 /nfs/dbraw/zinc/93/13/52/445931352.db2.gz OZWCKYUNLYAQSS-IRXDYDNUSA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)[C@@H](C)C1 ZINC000365962947 445931357 /nfs/dbraw/zinc/93/13/57/445931357.db2.gz OZWCKYUNLYAQSS-IRXDYDNUSA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000359028394 445897154 /nfs/dbraw/zinc/89/71/54/445897154.db2.gz AXOGKDMEPFGPPS-JKSUJKDBSA-N 2 1 328.501 1.515 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000359028394 445897157 /nfs/dbraw/zinc/89/71/57/445897157.db2.gz AXOGKDMEPFGPPS-JKSUJKDBSA-N 2 1 328.501 1.515 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000359028394 445897161 /nfs/dbraw/zinc/89/71/61/445897161.db2.gz AXOGKDMEPFGPPS-JKSUJKDBSA-N 2 1 328.501 1.515 20 0 EDADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(-c4ccco4)n[nH]3)C2)CC1 ZINC000364210373 445900927 /nfs/dbraw/zinc/90/09/27/445900927.db2.gz ZWMWVVHWLVFHNM-CYBMUJFWSA-N 2 1 343.431 1.568 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(-c4ccco4)n[nH]3)C2)CC1 ZINC000364210373 445900931 /nfs/dbraw/zinc/90/09/31/445900931.db2.gz ZWMWVVHWLVFHNM-CYBMUJFWSA-N 2 1 343.431 1.568 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)Cc3ccccc3C2)C[N@H+]1C1CC1 ZINC000365917277 445904860 /nfs/dbraw/zinc/90/48/60/445904860.db2.gz DZMBBLVSAHFCKE-PBHICJAKSA-N 2 1 327.472 1.827 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000361784794 445942824 /nfs/dbraw/zinc/94/28/24/445942824.db2.gz FVUSQKPJYYYHHN-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C ZINC000354164552 445961303 /nfs/dbraw/zinc/96/13/03/445961303.db2.gz BIYBPFDEIDVSFQ-IBGZPJMESA-N 2 1 348.491 1.981 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C ZINC000354164552 445961307 /nfs/dbraw/zinc/96/13/07/445961307.db2.gz BIYBPFDEIDVSFQ-IBGZPJMESA-N 2 1 348.491 1.981 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1C ZINC000354164552 445961312 /nfs/dbraw/zinc/96/13/12/445961312.db2.gz BIYBPFDEIDVSFQ-IBGZPJMESA-N 2 1 348.491 1.981 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000354164552 445961318 /nfs/dbraw/zinc/96/13/18/445961318.db2.gz BIYBPFDEIDVSFQ-IBGZPJMESA-N 2 1 348.491 1.981 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000366016161 445964168 /nfs/dbraw/zinc/96/41/68/445964168.db2.gz RONFSVPEZJIZLC-UHFFFAOYSA-N 2 1 333.476 1.933 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H](C)C[NH+](C)C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356739768 445981038 /nfs/dbraw/zinc/98/10/38/445981038.db2.gz KCJFJJWXSCGJSG-WCXIOVBPSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H](C)C[NH+](C)C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356739768 445981039 /nfs/dbraw/zinc/98/10/39/445981039.db2.gz KCJFJJWXSCGJSG-WCXIOVBPSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356739768 445981040 /nfs/dbraw/zinc/98/10/40/445981040.db2.gz KCJFJJWXSCGJSG-WCXIOVBPSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356739768 445981041 /nfs/dbraw/zinc/98/10/41/445981041.db2.gz KCJFJJWXSCGJSG-WCXIOVBPSA-N 2 1 327.513 1.965 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]31)CC2 ZINC000582849419 325943408 /nfs/dbraw/zinc/94/34/08/325943408.db2.gz KDEFBAYMQJJWHC-MXSMSXNCSA-N 2 1 346.475 1.464 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000369228357 446006849 /nfs/dbraw/zinc/00/68/49/446006849.db2.gz AVLFBNLHGYBZSY-SJORKVTESA-N 2 1 338.496 1.367 20 0 EDADMP CN(C(=O)CCOCC(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365083032 446013305 /nfs/dbraw/zinc/01/33/05/446013305.db2.gz GTKINMXPHSXODT-CQSZACIVSA-N 2 1 333.423 1.285 20 0 EDADMP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C1CCCC1 ZINC000583922396 326166214 /nfs/dbraw/zinc/16/62/14/326166214.db2.gz PEOABUGILPZWLP-KRWDZBQOSA-N 2 1 348.495 1.553 20 0 EDADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C1CCCC1 ZINC000583922396 326166219 /nfs/dbraw/zinc/16/62/19/326166219.db2.gz PEOABUGILPZWLP-KRWDZBQOSA-N 2 1 348.495 1.553 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCCS(N)(=O)=O)C2)s1 ZINC000584295229 326238263 /nfs/dbraw/zinc/23/82/63/326238263.db2.gz WHOFEZZGHSXOQT-CQSZACIVSA-N 2 1 345.534 1.489 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCS(N)(=O)=O)C2)s1 ZINC000584295229 326238265 /nfs/dbraw/zinc/23/82/65/326238265.db2.gz WHOFEZZGHSXOQT-CQSZACIVSA-N 2 1 345.534 1.489 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCS(N)(=O)=O)C2)s1 ZINC000584295229 326238266 /nfs/dbraw/zinc/23/82/66/326238266.db2.gz WHOFEZZGHSXOQT-CQSZACIVSA-N 2 1 345.534 1.489 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCS(N)(=O)=O)C2)s1 ZINC000584295229 326238268 /nfs/dbraw/zinc/23/82/68/326238268.db2.gz WHOFEZZGHSXOQT-CQSZACIVSA-N 2 1 345.534 1.489 20 0 EDADMP CCCCCC[C@H](O)CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000365225669 446088344 /nfs/dbraw/zinc/08/83/44/446088344.db2.gz CPHBEZOUBKSDDY-DLBZAZTESA-N 2 1 325.497 1.732 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000369658432 446141613 /nfs/dbraw/zinc/14/16/13/446141613.db2.gz DGMRNAMPSIGEHH-IXDOHACOSA-N 2 1 325.497 1.819 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000369658432 446141617 /nfs/dbraw/zinc/14/16/17/446141617.db2.gz DGMRNAMPSIGEHH-IXDOHACOSA-N 2 1 325.497 1.819 20 0 EDADMP C[C@@H]1CN([C@H](CNc2cc[nH+]c(N(C)C)n2)c2cccs2)CCO1 ZINC000354353981 446136921 /nfs/dbraw/zinc/13/69/21/446136921.db2.gz OANBYRAQGURCRO-ZIAGYGMSSA-N 2 1 347.488 2.478 20 0 EDADMP CCOc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351490719 446092893 /nfs/dbraw/zinc/09/28/93/446092893.db2.gz IWTHESASBLOMCS-JQHSSLGASA-N 2 1 331.460 1.713 20 0 EDADMP CCOc1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351490719 446092899 /nfs/dbraw/zinc/09/28/99/446092899.db2.gz IWTHESASBLOMCS-JQHSSLGASA-N 2 1 331.460 1.713 20 0 EDADMP CC[N@H+](CCC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1)CC1CC1 ZINC000356892816 446101210 /nfs/dbraw/zinc/10/12/10/446101210.db2.gz JXGWVOFLFWDUJX-SFHVURJKSA-N 2 1 337.508 1.678 20 0 EDADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1)CC1CC1 ZINC000356892816 446101215 /nfs/dbraw/zinc/10/12/15/446101215.db2.gz JXGWVOFLFWDUJX-SFHVURJKSA-N 2 1 337.508 1.678 20 0 EDADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1)CC1CC1 ZINC000356892816 446101220 /nfs/dbraw/zinc/10/12/20/446101220.db2.gz JXGWVOFLFWDUJX-SFHVURJKSA-N 2 1 337.508 1.678 20 0 EDADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1)CC1CC1 ZINC000356892816 446101227 /nfs/dbraw/zinc/10/12/27/446101227.db2.gz JXGWVOFLFWDUJX-SFHVURJKSA-N 2 1 337.508 1.678 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000369658432 446141608 /nfs/dbraw/zinc/14/16/08/446141608.db2.gz DGMRNAMPSIGEHH-IXDOHACOSA-N 2 1 325.497 1.819 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000359346516 446165395 /nfs/dbraw/zinc/16/53/95/446165395.db2.gz RCGSQXZQQVTSHR-CRAIPNDOSA-N 2 1 342.487 1.969 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000359346516 446165398 /nfs/dbraw/zinc/16/53/98/446165398.db2.gz RCGSQXZQQVTSHR-CRAIPNDOSA-N 2 1 342.487 1.969 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000359346516 446165402 /nfs/dbraw/zinc/16/54/02/446165402.db2.gz RCGSQXZQQVTSHR-CRAIPNDOSA-N 2 1 342.487 1.969 20 0 EDADMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C1 ZINC000373381111 446191337 /nfs/dbraw/zinc/19/13/37/446191337.db2.gz ANYQQYACCKGUNQ-HZPDHXFCSA-N 2 1 347.507 1.570 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C1 ZINC000373381111 446191340 /nfs/dbraw/zinc/19/13/40/446191340.db2.gz ANYQQYACCKGUNQ-HZPDHXFCSA-N 2 1 347.507 1.570 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C1 ZINC000373381111 446191343 /nfs/dbraw/zinc/19/13/43/446191343.db2.gz ANYQQYACCKGUNQ-HZPDHXFCSA-N 2 1 347.507 1.570 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C1 ZINC000373381111 446191349 /nfs/dbraw/zinc/19/13/49/446191349.db2.gz ANYQQYACCKGUNQ-HZPDHXFCSA-N 2 1 347.507 1.570 20 0 EDADMP CN(CC1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H]1COCC[NH2+]1 ZINC000366332277 446157786 /nfs/dbraw/zinc/15/77/86/446157786.db2.gz ZAKYJYMAQSZXCH-GOSISDBHSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)no1 ZINC000359401136 446201004 /nfs/dbraw/zinc/20/10/04/446201004.db2.gz GIAOFEWPVGPBFF-VBNZEHGJSA-N 2 1 336.436 1.060 20 0 EDADMP O=C(COc1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCC1CC1 ZINC000359472869 446244552 /nfs/dbraw/zinc/24/45/52/446244552.db2.gz MOUFHNGOQRAQQX-IAGOWNOFSA-N 2 1 329.444 1.243 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCOC3(CCOCC3)CC2)CC1 ZINC000370299390 446221258 /nfs/dbraw/zinc/22/12/58/446221258.db2.gz TUXKBYJIWLHESW-UHFFFAOYSA-N 2 1 339.524 1.674 20 0 EDADMP C[C@H](CNC(=O)[C@@]1([NH+](C)C)CCOc2ccccc21)[N@H+](C)C1CC1 ZINC000365536127 446245063 /nfs/dbraw/zinc/24/50/63/446245063.db2.gz IVPWWMGHSFAOAF-AUUYWEPGSA-N 2 1 331.460 1.825 20 0 EDADMP C[C@H](CNC(=O)[C@@]1([NH+](C)C)CCOc2ccccc21)[N@@H+](C)C1CC1 ZINC000365536127 446245068 /nfs/dbraw/zinc/24/50/68/446245068.db2.gz IVPWWMGHSFAOAF-AUUYWEPGSA-N 2 1 331.460 1.825 20 0 EDADMP CC(C)CC[C@H](O)C[N@H+]1CCN(C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000366497180 446238211 /nfs/dbraw/zinc/23/82/11/446238211.db2.gz ZFTHHORTACRBQO-FGTMMUONSA-N 2 1 327.513 1.120 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000359495541 446258124 /nfs/dbraw/zinc/25/81/24/446258124.db2.gz UNBXLGAYMQKWTH-MRXNPFEDSA-N 2 1 346.475 1.865 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000359495541 446258127 /nfs/dbraw/zinc/25/81/27/446258127.db2.gz UNBXLGAYMQKWTH-MRXNPFEDSA-N 2 1 346.475 1.865 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2(C)C[NH+](Cc3ccccc3)C2)C1 ZINC000373577337 446268285 /nfs/dbraw/zinc/26/82/85/446268285.db2.gz NTNRJNYEYFFFKH-KRWDZBQOSA-N 2 1 331.460 1.345 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2(C)C[NH+](Cc3ccccc3)C2)C1 ZINC000373577337 446268289 /nfs/dbraw/zinc/26/82/89/446268289.db2.gz NTNRJNYEYFFFKH-KRWDZBQOSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H]1CN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000365642486 446284519 /nfs/dbraw/zinc/28/45/19/446284519.db2.gz JSUWFXPDXXPPFS-KSSFIOAISA-N 2 1 343.487 1.503 20 0 EDADMP C[C@H]1CN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000365642486 446284520 /nfs/dbraw/zinc/28/45/20/446284520.db2.gz JSUWFXPDXXPPFS-KSSFIOAISA-N 2 1 343.487 1.503 20 0 EDADMP C[C@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1CC(C)(C)O ZINC000365642486 446284522 /nfs/dbraw/zinc/28/45/22/446284522.db2.gz JSUWFXPDXXPPFS-KSSFIOAISA-N 2 1 343.487 1.503 20 0 EDADMP C[C@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1CC(C)(C)O ZINC000365642486 446284524 /nfs/dbraw/zinc/28/45/24/446284524.db2.gz JSUWFXPDXXPPFS-KSSFIOAISA-N 2 1 343.487 1.503 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@H](O)COC(C)(C)C)C2)CC1 ZINC000362252538 446287137 /nfs/dbraw/zinc/28/71/37/446287137.db2.gz AVUXOQLSJHKQDC-SJORKVTESA-N 2 1 327.513 1.122 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000366686374 446309233 /nfs/dbraw/zinc/30/92/33/446309233.db2.gz IZCIZLKCVNVDSN-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000366686374 446309237 /nfs/dbraw/zinc/30/92/37/446309237.db2.gz IZCIZLKCVNVDSN-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(CCOCC(F)(F)C(F)F)CC2)C1 ZINC000373746371 446321811 /nfs/dbraw/zinc/32/18/11/446321811.db2.gz NZMKZIDKCAJGSB-CYBMUJFWSA-N 2 1 341.393 1.615 20 0 EDADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H](CO)[C@H]3CCOC3)sc2C1 ZINC000366732937 446327818 /nfs/dbraw/zinc/32/78/18/446327818.db2.gz YLNFLAWMZLRNRO-UONOGXRCSA-N 2 1 339.505 1.644 20 0 EDADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H](CO)[C@H]3CCOC3)sc2C1 ZINC000366732937 446327822 /nfs/dbraw/zinc/32/78/22/446327822.db2.gz YLNFLAWMZLRNRO-UONOGXRCSA-N 2 1 339.505 1.644 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN2Cc2ccccn2)CC[N@H+]1C ZINC000365765765 446334449 /nfs/dbraw/zinc/33/44/49/446334449.db2.gz FPCMBZDUAZDKIJ-BPQIPLTHSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC[N@@H+]1C ZINC000365765765 446334453 /nfs/dbraw/zinc/33/44/53/446334453.db2.gz FPCMBZDUAZDKIJ-BPQIPLTHSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC[N@H+]1C ZINC000365765765 446334457 /nfs/dbraw/zinc/33/44/57/446334457.db2.gz FPCMBZDUAZDKIJ-BPQIPLTHSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC[NH+]1C ZINC000365765765 446334461 /nfs/dbraw/zinc/33/44/61/446334461.db2.gz FPCMBZDUAZDKIJ-BPQIPLTHSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC[NH+]1C ZINC000365765765 446334465 /nfs/dbraw/zinc/33/44/65/446334465.db2.gz FPCMBZDUAZDKIJ-BPQIPLTHSA-N 2 1 330.476 1.987 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2nccn2CC(F)(F)F)C1 ZINC000362362084 446334773 /nfs/dbraw/zinc/33/47/73/446334773.db2.gz UYDDOHHKMLMWQT-GFCCVEGCSA-N 2 1 347.385 1.929 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000376122124 446343775 /nfs/dbraw/zinc/34/37/75/446343775.db2.gz FGQCXOGVYFHLQG-OQSMONGASA-N 2 1 336.524 1.284 20 0 EDADMP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)CC1 ZINC000370587520 446344626 /nfs/dbraw/zinc/34/46/26/446344626.db2.gz IPPQKSUAVWFMPX-APWZRJJASA-N 2 1 347.507 1.651 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417489298 446354931 /nfs/dbraw/zinc/35/49/31/446354931.db2.gz BPMYIEOHQPUXPP-QRVBRYPASA-N 2 1 342.487 1.554 20 0 EDADMP O=C(NCC[C@H]1CC[NH2+]C1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417503738 446355627 /nfs/dbraw/zinc/35/56/27/446355627.db2.gz MIXVHFCIDDCZPP-MOPGFXCFSA-N 2 1 344.503 1.850 20 0 EDADMP O=C(NCC1=CC[NH2+]CC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417508198 446357205 /nfs/dbraw/zinc/35/72/05/446357205.db2.gz SWCIVNUDAYFHJG-LJQANCHMSA-N 2 1 342.487 1.770 20 0 EDADMP Cc1nn(C)c(N2CCC[NH+](C)CC2)c1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000370619925 446360512 /nfs/dbraw/zinc/36/05/12/446360512.db2.gz IBBJILPPBBHRPP-NVXWUHKLSA-N 2 1 348.539 1.443 20 0 EDADMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000370619925 446360518 /nfs/dbraw/zinc/36/05/18/446360518.db2.gz IBBJILPPBBHRPP-NVXWUHKLSA-N 2 1 348.539 1.443 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000370619925 446360524 /nfs/dbraw/zinc/36/05/24/446360524.db2.gz IBBJILPPBBHRPP-NVXWUHKLSA-N 2 1 348.539 1.443 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000417517446 446360552 /nfs/dbraw/zinc/36/05/52/446360552.db2.gz QERYVWHPUDQKTR-SFHVURJKSA-N 2 1 348.491 1.701 20 0 EDADMP Cc1cc(N2CCC[C@@H]([NH2+]C3CCS(=O)(=O)CC3)C2)nc(C)[nH+]1 ZINC000365839092 446364024 /nfs/dbraw/zinc/36/40/24/446364024.db2.gz SNQLMRWWJXKZSS-OAHLLOKOSA-N 2 1 338.477 1.229 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374500504 446371402 /nfs/dbraw/zinc/37/14/02/446371402.db2.gz BTLSTEFBACNSMM-SFHVURJKSA-N 2 1 343.471 1.490 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374500504 446371407 /nfs/dbraw/zinc/37/14/07/446371407.db2.gz BTLSTEFBACNSMM-SFHVURJKSA-N 2 1 343.471 1.490 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[NH2+]CC1 ZINC000417896134 446378547 /nfs/dbraw/zinc/37/85/47/446378547.db2.gz PJOMDRVUGUAJHQ-VQFNDLOPSA-N 2 1 330.476 1.758 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418075784 446432855 /nfs/dbraw/zinc/43/28/55/446432855.db2.gz QCZUYYAKQFCLCZ-WBVHZDCISA-N 2 1 334.464 1.185 20 0 EDADMP CC[N@@H+](CCNC(=O)N(C)CC(C)(C)C[NH3+])CCC(F)(F)F ZINC000418082377 446435441 /nfs/dbraw/zinc/43/54/41/446435441.db2.gz XLNILTMEKHYPHE-UHFFFAOYSA-N 2 1 326.407 1.887 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C2)CC1 ZINC000366907167 446406926 /nfs/dbraw/zinc/40/69/26/446406926.db2.gz AXDWNMJCRIFGJY-QZTJIDSGSA-N 2 1 349.519 1.964 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000370731349 446407342 /nfs/dbraw/zinc/40/73/42/446407342.db2.gz WALAHSLRHCQQQO-HYVNUMGLSA-N 2 1 336.480 1.118 20 0 EDADMP [NH3+]C[C@H]1CCCCN1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000417995591 446410333 /nfs/dbraw/zinc/41/03/33/446410333.db2.gz QGLHJLFSRYTXRV-MSOLQXFVSA-N 2 1 346.475 1.276 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000417997821 446411495 /nfs/dbraw/zinc/41/14/95/446411495.db2.gz GKMKDNPFKQFCLW-OIISXLGYSA-N 2 1 346.475 1.834 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000417997821 446411498 /nfs/dbraw/zinc/41/14/98/446411498.db2.gz GKMKDNPFKQFCLW-OIISXLGYSA-N 2 1 346.475 1.834 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418009145 446414488 /nfs/dbraw/zinc/41/44/88/446414488.db2.gz HVQDTHYHMLKBLH-DOTOQJQBSA-N 2 1 330.476 1.900 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000370767702 446425446 /nfs/dbraw/zinc/42/54/46/446425446.db2.gz VQMKYEDYBDRNMC-PKOBYXMFSA-N 2 1 332.492 1.609 20 0 EDADMP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1C ZINC000420303103 446465408 /nfs/dbraw/zinc/46/54/08/446465408.db2.gz GZRCCMGWINDTMB-UHFFFAOYSA-N 2 1 333.432 1.676 20 0 EDADMP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1C ZINC000420303103 446465410 /nfs/dbraw/zinc/46/54/10/446465410.db2.gz GZRCCMGWINDTMB-UHFFFAOYSA-N 2 1 333.432 1.676 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000432488152 446474318 /nfs/dbraw/zinc/47/43/18/446474318.db2.gz CVKHGCLTYYLKFX-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCN(Cc1ccccc1)S(C)(=O)=O ZINC000420319918 446485183 /nfs/dbraw/zinc/48/51/83/446485183.db2.gz PWDYBAVYWCKVMK-GDBMZVCRSA-N 2 1 325.478 1.117 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCN(Cc1ccccc1)S(C)(=O)=O ZINC000420319918 446485195 /nfs/dbraw/zinc/48/51/95/446485195.db2.gz PWDYBAVYWCKVMK-GDBMZVCRSA-N 2 1 325.478 1.117 20 0 EDADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420325472 446490829 /nfs/dbraw/zinc/49/08/29/446490829.db2.gz IKXSLVZGQNKBDT-HOTGVXAUSA-N 2 1 331.460 1.725 20 0 EDADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420325472 446490836 /nfs/dbraw/zinc/49/08/36/446490836.db2.gz IKXSLVZGQNKBDT-HOTGVXAUSA-N 2 1 331.460 1.725 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000418305501 446492467 /nfs/dbraw/zinc/49/24/67/446492467.db2.gz YYZFTJLDNNQMKL-HLLBOEOZSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000418305501 446492473 /nfs/dbraw/zinc/49/24/73/446492473.db2.gz YYZFTJLDNNQMKL-HLLBOEOZSA-N 2 1 338.496 1.412 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccccc3)C2=O)CC12CCOCC2 ZINC000420326716 446492881 /nfs/dbraw/zinc/49/28/81/446492881.db2.gz KMXXMOSZUYBFPY-AEFFLSMTSA-N 2 1 343.471 1.869 20 0 EDADMP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420326636 446493293 /nfs/dbraw/zinc/49/32/93/446493293.db2.gz COCBIVNRDYEOMB-OWCLPIDISA-N 2 1 334.464 2.412 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)CC1 ZINC000367058979 446494686 /nfs/dbraw/zinc/49/46/86/446494686.db2.gz ZZSYSOLPFPGZRE-LJQANCHMSA-N 2 1 349.523 1.384 20 0 EDADMP COCc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420327109 446495717 /nfs/dbraw/zinc/49/57/17/446495717.db2.gz DAGWAANQNVRTLV-HDICACEKSA-N 2 1 331.460 1.381 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)c1 ZINC000423363814 446501575 /nfs/dbraw/zinc/50/15/75/446501575.db2.gz BWBSADSXPZXZTR-APWZRJJASA-N 2 1 347.459 1.012 20 0 EDADMP CN(C(=O)NCCC[NH2+]Cc1cccnc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000418331521 446502444 /nfs/dbraw/zinc/50/24/44/446502444.db2.gz DRVDYEKNVQYHST-QGZVFWFLSA-N 2 1 331.464 1.439 20 0 EDADMP COC(=O)c1cc(C)nc(N2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000376449679 446503851 /nfs/dbraw/zinc/50/38/51/446503851.db2.gz NOWREIUPTORUFU-AWEZNQCLSA-N 2 1 347.463 1.176 20 0 EDADMP COC(=O)c1cc(C)nc(N2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000376449679 446503854 /nfs/dbraw/zinc/50/38/54/446503854.db2.gz NOWREIUPTORUFU-AWEZNQCLSA-N 2 1 347.463 1.176 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H]1Cc1ccccc1 ZINC000418337175 446505583 /nfs/dbraw/zinc/50/55/83/446505583.db2.gz BHLTZKAWXBFPGA-RBUKOAKNSA-N 2 1 344.503 1.944 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H]1Cc1ccccc1 ZINC000418337175 446505588 /nfs/dbraw/zinc/50/55/88/446505588.db2.gz BHLTZKAWXBFPGA-RBUKOAKNSA-N 2 1 344.503 1.944 20 0 EDADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCOc1cccc(F)c1 ZINC000420337992 446507317 /nfs/dbraw/zinc/50/73/17/446507317.db2.gz NHSVQICHBFCXPC-GASCZTMLSA-N 2 1 335.423 1.252 20 0 EDADMP CCN(CCOCCO)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000367105709 446507377 /nfs/dbraw/zinc/50/73/77/446507377.db2.gz GGJQTIQRINABGL-UHFFFAOYSA-N 2 1 327.494 1.740 20 0 EDADMP CCN(CCOCCO)Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000367105709 446507382 /nfs/dbraw/zinc/50/73/82/446507382.db2.gz GGJQTIQRINABGL-UHFFFAOYSA-N 2 1 327.494 1.740 20 0 EDADMP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000423375624 446508291 /nfs/dbraw/zinc/50/82/91/446508291.db2.gz UKGUFQNCFNKCRB-SFHVURJKSA-N 2 1 345.491 1.898 20 0 EDADMP COc1ccc(C)cc1NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420337349 446508620 /nfs/dbraw/zinc/50/86/20/446508620.db2.gz WTZSGHCOONQLQT-BEFAXECRSA-N 2 1 347.459 1.770 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418365899 446514471 /nfs/dbraw/zinc/51/44/71/446514471.db2.gz KCGRHCGDMLTDML-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)N2CCc3ccccc32)CC12CCOCC2 ZINC000420331572 446500846 /nfs/dbraw/zinc/50/08/46/446500846.db2.gz QYJTUOWPQSWCIC-QGZVFWFLSA-N 2 1 343.471 1.653 20 0 EDADMP CC[NH2+]CCNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418328136 446500868 /nfs/dbraw/zinc/50/08/68/446500868.db2.gz RPXJXXKGQRUDPF-GASCZTMLSA-N 2 1 326.485 1.127 20 0 EDADMP CN1CCNC[C@@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423518459 446559974 /nfs/dbraw/zinc/55/99/74/446559974.db2.gz OSHITELUXYIWQG-SOAGJPPSSA-N 2 1 330.520 1.923 20 0 EDADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423518459 446559976 /nfs/dbraw/zinc/55/99/76/446559976.db2.gz OSHITELUXYIWQG-SOAGJPPSSA-N 3 1 330.520 1.923 20 0 EDADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423518459 446559978 /nfs/dbraw/zinc/55/99/78/446559978.db2.gz OSHITELUXYIWQG-SOAGJPPSSA-N 3 1 330.520 1.923 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433371536 446565097 /nfs/dbraw/zinc/56/50/97/446565097.db2.gz BJADFXAJIPJGHV-GJZGRUSLSA-N 2 1 334.468 1.197 20 0 EDADMP C[N@@H+](CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)C1CCCCC1 ZINC000433373864 446565150 /nfs/dbraw/zinc/56/51/50/446565150.db2.gz HTPUFIMLNPHBNG-OAHLLOKOSA-N 2 1 334.468 1.197 20 0 EDADMP CC1CCC(N(C(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C2CC2)CC1 ZINC000420346285 446518890 /nfs/dbraw/zinc/51/88/90/446518890.db2.gz CQEIIBLGRIKITO-TVPLGVNVSA-N 2 1 348.535 1.536 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000418497305 446566901 /nfs/dbraw/zinc/56/69/01/446566901.db2.gz WCEWTCJKXUHBGV-LSDHHAIUSA-N 2 1 348.491 1.693 20 0 EDADMP Fc1ccccc1-c1cnc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC000420349678 446528273 /nfs/dbraw/zinc/52/82/73/446528273.db2.gz QBEKBRLESKWCPR-AWEZNQCLSA-N 2 1 330.407 1.960 20 0 EDADMP Fc1ccccc1-c1cnc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC000420349678 446528281 /nfs/dbraw/zinc/52/82/81/446528281.db2.gz QBEKBRLESKWCPR-AWEZNQCLSA-N 2 1 330.407 1.960 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000418432603 446543118 /nfs/dbraw/zinc/54/31/18/446543118.db2.gz SOJRPQUTGZLHAB-KBAYOESNSA-N 2 1 346.475 1.439 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)ccc1C[NH+](C)C ZINC000411442875 446546114 /nfs/dbraw/zinc/54/61/14/446546114.db2.gz RAEQPIURXANGOE-GJZGRUSLSA-N 2 1 346.475 1.546 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)ccc1C[NH+](C)C ZINC000411442875 446546121 /nfs/dbraw/zinc/54/61/21/446546121.db2.gz RAEQPIURXANGOE-GJZGRUSLSA-N 2 1 346.475 1.546 20 0 EDADMP CCC[C@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)CC[N@H+]1CCOC ZINC000420370614 446548118 /nfs/dbraw/zinc/54/81/18/446548118.db2.gz JUWFDHQTOAWSOB-ZDUSSCGKSA-N 2 1 325.457 1.196 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000423475850 446549725 /nfs/dbraw/zinc/54/97/25/446549725.db2.gz KQUCUCLWMWZFOZ-AAEUAGOBSA-N 2 1 347.431 1.954 20 0 EDADMP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418458768 446550637 /nfs/dbraw/zinc/55/06/37/446550637.db2.gz JIKNVVSUENLWAQ-MSOLQXFVSA-N 2 1 330.476 1.684 20 0 EDADMP CCc1ccc([C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)cc1 ZINC000420374517 446552475 /nfs/dbraw/zinc/55/24/75/446552475.db2.gz NYECCSWEEXFBDX-GOSISDBHSA-N 2 1 331.460 1.444 20 0 EDADMP CCc1ccc([C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)cc1 ZINC000420374517 446552484 /nfs/dbraw/zinc/55/24/84/446552484.db2.gz NYECCSWEEXFBDX-GOSISDBHSA-N 2 1 331.460 1.444 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418609733 446614854 /nfs/dbraw/zinc/61/48/54/446614854.db2.gz SRBOLCDNQZTBMC-BRWVUGGUSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418612573 446615839 /nfs/dbraw/zinc/61/58/39/446615839.db2.gz ICJGBYBNABMKBB-NJAFHUGGSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000418621636 446618483 /nfs/dbraw/zinc/61/84/83/446618483.db2.gz SYMOGHXICUUSAF-USXIJHARSA-N 2 1 339.528 1.312 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418621874 446618492 /nfs/dbraw/zinc/61/84/92/446618492.db2.gz UJXYJXBEVXZJNI-HRCADAONSA-N 2 1 340.512 1.515 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)[nH+]c1 ZINC000367693855 446575929 /nfs/dbraw/zinc/57/59/29/446575929.db2.gz MPDSFGHXLXLBET-JKSUJKDBSA-N 2 1 331.464 1.928 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)[nH+]c1 ZINC000367693855 446575933 /nfs/dbraw/zinc/57/59/33/446575933.db2.gz MPDSFGHXLXLBET-JKSUJKDBSA-N 2 1 331.464 1.928 20 0 EDADMP COCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420404549 446578602 /nfs/dbraw/zinc/57/86/02/446578602.db2.gz MCHODADTZUISDQ-NVXWUHKLSA-N 2 1 349.475 1.245 20 0 EDADMP COCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420404549 446578607 /nfs/dbraw/zinc/57/86/07/446578607.db2.gz MCHODADTZUISDQ-NVXWUHKLSA-N 2 1 349.475 1.245 20 0 EDADMP [NH3+]CCCCNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418520816 446578594 /nfs/dbraw/zinc/57/85/94/446578594.db2.gz HWMOYOLTCIANEF-QZTJIDSGSA-N 2 1 330.476 1.889 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000375102437 446581734 /nfs/dbraw/zinc/58/17/34/446581734.db2.gz TWSLCTGYDSFINM-GOSISDBHSA-N 2 1 342.487 1.990 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418530112 446583267 /nfs/dbraw/zinc/58/32/67/446583267.db2.gz ALFJCGSJQRLECH-SJLPKXTDSA-N 2 1 330.476 1.902 20 0 EDADMP CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCOCC[NH3+])CC1 ZINC000420411062 446584582 /nfs/dbraw/zinc/58/45/82/446584582.db2.gz RQGVBBRFOWKKGE-HNNXBMFYSA-N 2 1 338.471 1.594 20 0 EDADMP Cc1cccc(OCCCNC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420414106 446588386 /nfs/dbraw/zinc/58/83/86/446588386.db2.gz UJHDDGKWXIIFEX-IRXDYDNUSA-N 2 1 333.476 1.797 20 0 EDADMP Cc1cccc(OCCCNC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420414106 446588387 /nfs/dbraw/zinc/58/83/87/446588387.db2.gz UJHDDGKWXIIFEX-IRXDYDNUSA-N 2 1 333.476 1.797 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1C[NH+](C)C ZINC000411561906 446601120 /nfs/dbraw/zinc/60/11/20/446601120.db2.gz NIZMJAMEUAEUJT-GASCZTMLSA-N 2 1 346.475 1.546 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418701803 446654402 /nfs/dbraw/zinc/65/44/02/446654402.db2.gz DEKZZNNSPUHOOO-BZSNNMDCSA-N 2 1 330.476 1.887 20 0 EDADMP Cc1n[nH]cc1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371089755 446621395 /nfs/dbraw/zinc/62/13/95/446621395.db2.gz QSFPXXVYEAYBQM-UHFFFAOYSA-N 2 1 333.480 1.644 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)CCn3cccn3)CC2)CC1 ZINC000371093944 446624340 /nfs/dbraw/zinc/62/43/40/446624340.db2.gz NAUBKLHWTDQJJW-UHFFFAOYSA-N 2 1 347.507 1.586 20 0 EDADMP CCOCCC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371093084 446624643 /nfs/dbraw/zinc/62/46/43/446624643.db2.gz IQYSCLMNVOJTLF-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000418636011 446626164 /nfs/dbraw/zinc/62/61/64/446626164.db2.gz LRQJZRHMUZDYGY-BHIYHBOVSA-N 2 1 342.487 1.999 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC[N@H+](C2CC2)C1 ZINC000418642198 446627535 /nfs/dbraw/zinc/62/75/35/446627535.db2.gz SVWLNNOTDIRUIK-BEFAXECRSA-N 2 1 342.487 1.999 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280648 446739316 /nfs/dbraw/zinc/73/93/16/446739316.db2.gz RJVLTRXWCWQAJW-SJLPKXTDSA-N 2 1 330.476 1.361 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280648 446739325 /nfs/dbraw/zinc/73/93/25/446739325.db2.gz RJVLTRXWCWQAJW-SJLPKXTDSA-N 2 1 330.476 1.361 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[NH+](CC)C3)c2C1 ZINC000411914796 446727885 /nfs/dbraw/zinc/72/78/85/446727885.db2.gz KOVZWLUEFBJDPS-OAHLLOKOSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[NH+](CC)C3)c2C1 ZINC000411914796 446727896 /nfs/dbraw/zinc/72/78/96/446727896.db2.gz KOVZWLUEFBJDPS-OAHLLOKOSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](CC)C3)c2C1 ZINC000411914796 446727904 /nfs/dbraw/zinc/72/79/04/446727904.db2.gz KOVZWLUEFBJDPS-OAHLLOKOSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](CC)C3)c2C1 ZINC000411914796 446727912 /nfs/dbraw/zinc/72/79/12/446727912.db2.gz KOVZWLUEFBJDPS-OAHLLOKOSA-N 2 1 344.459 1.561 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423862328 446734961 /nfs/dbraw/zinc/73/49/61/446734961.db2.gz SEJKLEONXPWASI-HRCADAONSA-N 2 1 339.480 1.108 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423862328 446734967 /nfs/dbraw/zinc/73/49/67/446734967.db2.gz SEJKLEONXPWASI-HRCADAONSA-N 2 1 339.480 1.108 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423748453 446678114 /nfs/dbraw/zinc/67/81/14/446678114.db2.gz UMBFDXHNRYIMBR-DLBZAZTESA-N 2 1 336.524 1.393 20 0 EDADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000368165728 446681021 /nfs/dbraw/zinc/68/10/21/446681021.db2.gz SKUXHHUWHCNXFN-WMLDXEAASA-N 2 1 331.476 1.672 20 0 EDADMP COCC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000423902307 446753484 /nfs/dbraw/zinc/75/34/84/446753484.db2.gz LQHHTHQDIFYIHF-DOTOQJQBSA-N 2 1 335.492 1.478 20 0 EDADMP C[C@H]1C[N@H+](CCC(=O)OC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371303008 446757539 /nfs/dbraw/zinc/75/75/39/446757539.db2.gz MGJNCCVXXAUVIM-HOTGVXAUSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@H]1C[N@@H+](CCC(=O)OC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371303008 446757565 /nfs/dbraw/zinc/75/75/65/446757565.db2.gz MGJNCCVXXAUVIM-HOTGVXAUSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437844319 446765963 /nfs/dbraw/zinc/76/59/63/446765963.db2.gz IBZYFSYDAPBGIK-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+](C)[C@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000437947480 446779053 /nfs/dbraw/zinc/77/90/53/446779053.db2.gz OXAXOZWZYLRAOZ-GBESFXJTSA-N 2 1 345.487 1.829 20 0 EDADMP C[NH+](C)[C@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C[N@H+](C)Cc1ccccc1 ZINC000437947480 446779058 /nfs/dbraw/zinc/77/90/58/446779058.db2.gz OXAXOZWZYLRAOZ-GBESFXJTSA-N 2 1 345.487 1.829 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000423935115 446787576 /nfs/dbraw/zinc/78/75/76/446787576.db2.gz YKTMFUABRVVUSC-DKIMLUQUSA-N 2 1 333.476 1.938 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000423935115 446787582 /nfs/dbraw/zinc/78/75/82/446787582.db2.gz YKTMFUABRVVUSC-DKIMLUQUSA-N 2 1 333.476 1.938 20 0 EDADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000423934866 446787861 /nfs/dbraw/zinc/78/78/61/446787861.db2.gz XBBGPJIAUXKYFD-YRXWBPOGSA-N 2 1 345.487 1.953 20 0 EDADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000423934866 446787868 /nfs/dbraw/zinc/78/78/68/446787868.db2.gz XBBGPJIAUXKYFD-YRXWBPOGSA-N 2 1 345.487 1.953 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000423884418 446741576 /nfs/dbraw/zinc/74/15/76/446741576.db2.gz WEQCXOJMZNEJFP-BZSNNMDCSA-N 2 1 331.460 1.126 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000423991732 446811861 /nfs/dbraw/zinc/81/18/61/446811861.db2.gz MXRKTTBEUQPPKP-WBVHZDCISA-N 2 1 335.423 1.142 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCCO1 ZINC000424019489 446826676 /nfs/dbraw/zinc/82/66/76/446826676.db2.gz KEXHQNUZWQLTCB-ROUUACIJSA-N 2 1 331.460 1.617 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCCO1 ZINC000424019520 446826713 /nfs/dbraw/zinc/82/67/13/446826713.db2.gz KGXVOVTVKRWEHG-SJORKVTESA-N 2 1 335.423 1.366 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCCO1 ZINC000424019520 446826719 /nfs/dbraw/zinc/82/67/19/446826719.db2.gz KGXVOVTVKRWEHG-SJORKVTESA-N 2 1 335.423 1.366 20 0 EDADMP Cc1cccc(NC2CC[NH+](C[C@H](O)COC3CCOCC3)CC2)[nH+]1 ZINC000368452488 446871310 /nfs/dbraw/zinc/87/13/10/446871310.db2.gz BZVCWKHEYDOGAC-KRWDZBQOSA-N 2 1 349.475 1.823 20 0 EDADMP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901420 446876233 /nfs/dbraw/zinc/87/62/33/446876233.db2.gz KBGOAQDUTIRDPG-YJBOKZPZSA-N 2 1 331.460 1.605 20 0 EDADMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901420 446876242 /nfs/dbraw/zinc/87/62/42/446876242.db2.gz KBGOAQDUTIRDPG-YJBOKZPZSA-N 2 1 331.460 1.605 20 0 EDADMP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901419 446876437 /nfs/dbraw/zinc/87/64/37/446876437.db2.gz KBGOAQDUTIRDPG-QAPCUYQASA-N 2 1 331.460 1.605 20 0 EDADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901419 446876447 /nfs/dbraw/zinc/87/64/47/446876447.db2.gz KBGOAQDUTIRDPG-QAPCUYQASA-N 2 1 331.460 1.605 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000454634022 446926006 /nfs/dbraw/zinc/92/60/06/446926006.db2.gz RXZIKCQOJUQYOU-UHFFFAOYSA-N 2 1 326.485 1.271 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000375594642 446913146 /nfs/dbraw/zinc/91/31/46/446913146.db2.gz BHCUXEMMFCBBJR-ZWKOTPCHSA-N 2 1 336.524 1.393 20 0 EDADMP COc1ncc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)c(C)n1 ZINC000375618990 446928737 /nfs/dbraw/zinc/92/87/37/446928737.db2.gz BVZXMGGTSAPKAW-AWEZNQCLSA-N 2 1 333.480 1.394 20 0 EDADMP COc1ncc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)c(C)n1 ZINC000375618990 446928744 /nfs/dbraw/zinc/92/87/44/446928744.db2.gz BVZXMGGTSAPKAW-AWEZNQCLSA-N 2 1 333.480 1.394 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442751658 446950358 /nfs/dbraw/zinc/95/03/58/446950358.db2.gz CUEPDFJTTIDOSA-YCPHGPKFSA-N 2 1 349.475 1.420 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000442763987 446957789 /nfs/dbraw/zinc/95/77/89/446957789.db2.gz SQXDVXISYWAAEC-IRXDYDNUSA-N 2 1 345.487 1.520 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000442763987 446957794 /nfs/dbraw/zinc/95/77/94/446957794.db2.gz SQXDVXISYWAAEC-IRXDYDNUSA-N 2 1 345.487 1.520 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000442766532 446959902 /nfs/dbraw/zinc/95/99/02/446959902.db2.gz WRJFVVDPGBUWAB-OCCSQVGLSA-N 2 1 341.402 1.616 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000442766532 446959906 /nfs/dbraw/zinc/95/99/06/446959906.db2.gz WRJFVVDPGBUWAB-OCCSQVGLSA-N 2 1 341.402 1.616 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442776109 446962829 /nfs/dbraw/zinc/96/28/29/446962829.db2.gz BJENHMZSWDXWDS-GJZGRUSLSA-N 2 1 340.471 1.812 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)[C@@H]1c1ccccc1 ZINC000454933442 447009279 /nfs/dbraw/zinc/00/92/79/447009279.db2.gz YFWDGCNCYVLRSP-SZMVWBNQSA-N 2 1 348.491 1.698 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)[C@@H]1c1ccccc1 ZINC000454933442 447009285 /nfs/dbraw/zinc/00/92/85/447009285.db2.gz YFWDGCNCYVLRSP-SZMVWBNQSA-N 2 1 348.491 1.698 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419214061 447014969 /nfs/dbraw/zinc/01/49/69/447014969.db2.gz MDWGCDJTRCQJQE-QGZVFWFLSA-N 2 1 346.475 1.093 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000419222546 447016932 /nfs/dbraw/zinc/01/69/32/447016932.db2.gz XODHNUMGMMRGMB-QGZVFWFLSA-N 2 1 348.491 1.243 20 0 EDADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000372309653 447037171 /nfs/dbraw/zinc/03/71/71/447037171.db2.gz PAFPMGPGBYVSIM-SFHVURJKSA-N 2 1 346.475 1.998 20 0 EDADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000372309653 447037177 /nfs/dbraw/zinc/03/71/77/447037177.db2.gz PAFPMGPGBYVSIM-SFHVURJKSA-N 2 1 346.475 1.998 20 0 EDADMP C[C@H](CNC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)C[NH+]1CCCC1 ZINC000368701976 447052845 /nfs/dbraw/zinc/05/28/45/447052845.db2.gz OYCOUOZQMDRZQZ-MRXNPFEDSA-N 2 1 340.512 1.207 20 0 EDADMP O=C1NCCN1CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377332106 447072089 /nfs/dbraw/zinc/07/20/89/447072089.db2.gz WXBYVIVFQLSJSM-MSOLQXFVSA-N 2 1 328.460 1.466 20 0 EDADMP O=C1NCCN1CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377332106 447072094 /nfs/dbraw/zinc/07/20/94/447072094.db2.gz WXBYVIVFQLSJSM-MSOLQXFVSA-N 2 1 328.460 1.466 20 0 EDADMP O=C1NCCN1CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377332106 447072097 /nfs/dbraw/zinc/07/20/97/447072097.db2.gz WXBYVIVFQLSJSM-MSOLQXFVSA-N 2 1 328.460 1.466 20 0 EDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1COC(=O)N1CCOCC1 ZINC000375801911 447063795 /nfs/dbraw/zinc/06/37/95/447063795.db2.gz OVFBPJONNQCJBH-IRXDYDNUSA-N 2 1 339.480 1.794 20 0 EDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1COC(=O)N1CCOCC1 ZINC000375801911 447063801 /nfs/dbraw/zinc/06/38/01/447063801.db2.gz OVFBPJONNQCJBH-IRXDYDNUSA-N 2 1 339.480 1.794 20 0 EDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1COC(=O)N1CCOCC1 ZINC000375801911 447063804 /nfs/dbraw/zinc/06/38/04/447063804.db2.gz OVFBPJONNQCJBH-IRXDYDNUSA-N 2 1 339.480 1.794 20 0 EDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1COC(=O)N1CCOCC1 ZINC000375801911 447063810 /nfs/dbraw/zinc/06/38/10/447063810.db2.gz OVFBPJONNQCJBH-IRXDYDNUSA-N 2 1 339.480 1.794 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000368723628 447068224 /nfs/dbraw/zinc/06/82/24/447068224.db2.gz XATQWVFKAQQDPQ-GOSISDBHSA-N 2 1 330.476 1.063 20 0 EDADMP C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375762898 447030302 /nfs/dbraw/zinc/03/03/02/447030302.db2.gz ZUIITOHLRNWEPE-YIONKMFJSA-N 2 1 334.464 1.408 20 0 EDADMP C[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375762898 447030307 /nfs/dbraw/zinc/03/03/07/447030307.db2.gz ZUIITOHLRNWEPE-YIONKMFJSA-N 2 1 334.464 1.408 20 0 EDADMP C[NH+](CCN1C(=O)NC2(CCCC2)C1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375762898 447030314 /nfs/dbraw/zinc/03/03/14/447030314.db2.gz ZUIITOHLRNWEPE-YIONKMFJSA-N 2 1 334.464 1.408 20 0 EDADMP C[NH+](CCN1C(=O)NC2(CCCC2)C1=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375762898 447030322 /nfs/dbraw/zinc/03/03/22/447030322.db2.gz ZUIITOHLRNWEPE-YIONKMFJSA-N 2 1 334.464 1.408 20 0 EDADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375907264 447139554 /nfs/dbraw/zinc/13/95/54/447139554.db2.gz XRQMWXDATBCKMB-ROUUACIJSA-N 2 1 327.513 1.120 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(=O)NC)C2)CC1 ZINC000421369958 447143091 /nfs/dbraw/zinc/14/30/91/447143091.db2.gz BOOUDRUTQAAJLC-QGZVFWFLSA-N 2 1 330.476 1.396 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000419407155 447156650 /nfs/dbraw/zinc/15/66/50/447156650.db2.gz JRKOXAQGAFCJFH-GJZGRUSLSA-N 2 1 346.475 1.171 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)cc2)CC1 ZINC000375930304 447157084 /nfs/dbraw/zinc/15/70/84/447157084.db2.gz HRNREUHFOYPTHO-MJGOQNOKSA-N 2 1 342.487 1.258 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000419456455 447189557 /nfs/dbraw/zinc/18/95/57/447189557.db2.gz ABHYQAPHMLMCKO-BRWVUGGUSA-N 2 1 340.512 1.347 20 0 EDADMP CN(C)c1ncc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000377621270 447251195 /nfs/dbraw/zinc/25/11/95/447251195.db2.gz FXMMKOGZJYLVNL-UHFFFAOYSA-N 2 1 332.496 1.002 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)C(C)C ZINC000419504015 447230568 /nfs/dbraw/zinc/23/05/68/447230568.db2.gz UNFSQSFLNADWBM-DLBZAZTESA-N 2 1 342.528 1.592 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000419513961 447235816 /nfs/dbraw/zinc/23/58/16/447235816.db2.gz NGOBVKVFRCAIGD-BZUAXINKSA-N 2 1 328.501 1.203 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccco1 ZINC000369045043 447284186 /nfs/dbraw/zinc/28/41/86/447284186.db2.gz XYBXORCMVYAURB-SOUVJXGZSA-N 2 1 336.436 1.045 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccco1 ZINC000369045043 447284194 /nfs/dbraw/zinc/28/41/94/447284194.db2.gz XYBXORCMVYAURB-SOUVJXGZSA-N 2 1 336.436 1.045 20 0 EDADMP COC1(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCOCC1 ZINC000369015272 447265310 /nfs/dbraw/zinc/26/53/10/447265310.db2.gz DSRKXTWHSBGDDD-IBGZPJMESA-N 2 1 348.487 1.751 20 0 EDADMP COC1(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCOCC1 ZINC000369015272 447265316 /nfs/dbraw/zinc/26/53/16/447265316.db2.gz DSRKXTWHSBGDDD-IBGZPJMESA-N 2 1 348.487 1.751 20 0 EDADMP COC1(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000369015272 447265322 /nfs/dbraw/zinc/26/53/22/447265322.db2.gz DSRKXTWHSBGDDD-IBGZPJMESA-N 2 1 348.487 1.751 20 0 EDADMP COC1(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000369015272 447265331 /nfs/dbraw/zinc/26/53/31/447265331.db2.gz DSRKXTWHSBGDDD-IBGZPJMESA-N 2 1 348.487 1.751 20 0 EDADMP C[C@H](CCNC(=O)C(C)(C)N1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000379663199 447453456 /nfs/dbraw/zinc/45/34/56/447453456.db2.gz KSFGKRGTTIAFGK-QGZVFWFLSA-N 2 1 346.519 1.697 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000426705080 447493538 /nfs/dbraw/zinc/49/35/38/447493538.db2.gz UWOIYEYDEVMTDE-GOSISDBHSA-N 2 1 335.492 1.717 20 0 EDADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000495363117 447493930 /nfs/dbraw/zinc/49/39/30/447493930.db2.gz UIOILWPYJZRCRS-CPUCHLNUSA-N 2 1 327.469 1.288 20 0 EDADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000495363117 447493933 /nfs/dbraw/zinc/49/39/33/447493933.db2.gz UIOILWPYJZRCRS-CPUCHLNUSA-N 2 1 327.469 1.288 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390851625 447503476 /nfs/dbraw/zinc/50/34/76/447503476.db2.gz DRNMGAHHPAVNRC-QZTJIDSGSA-N 2 1 333.476 1.911 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390884217 447504355 /nfs/dbraw/zinc/50/43/55/447504355.db2.gz XHPZFUSHPMBHHM-PKOBYXMFSA-N 2 1 333.476 1.911 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390867547 447504992 /nfs/dbraw/zinc/50/49/92/447504992.db2.gz ONMCAPZCYOIEDF-MSOLQXFVSA-N 2 1 333.476 1.625 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)C1 ZINC000419959931 447515759 /nfs/dbraw/zinc/51/57/59/447515759.db2.gz RHJQCMODROCWKV-CABCVRRESA-N 2 1 349.479 1.099 20 0 EDADMP CCc1nn(C)cc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392465147 447523681 /nfs/dbraw/zinc/52/36/81/447523681.db2.gz BJFHHFRGRBYYDS-WMLDXEAASA-N 2 1 333.480 1.063 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000427295850 447575692 /nfs/dbraw/zinc/57/56/92/447575692.db2.gz QOJRHJGIXUTHHT-INIZCTEOSA-N 2 1 346.475 1.251 20 0 EDADMP CCC[C@@H](O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000450808720 447583432 /nfs/dbraw/zinc/58/34/32/447583432.db2.gz IVSRVYAPXKRSLC-SOUVJXGZSA-N 2 1 339.459 1.552 20 0 EDADMP CCC[C@@H](O)C[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000450808720 447583434 /nfs/dbraw/zinc/58/34/34/447583434.db2.gz IVSRVYAPXKRSLC-SOUVJXGZSA-N 2 1 339.459 1.552 20 0 EDADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000419999242 447536732 /nfs/dbraw/zinc/53/67/32/447536732.db2.gz OEJMFEXXSITWMN-FUHWJXTLSA-N 2 1 325.497 1.602 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC[N@H+]1C ZINC000394408751 447537321 /nfs/dbraw/zinc/53/73/21/447537321.db2.gz MQNKLJDKDHGHGJ-PMPSAXMXSA-N 2 1 340.512 1.610 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000416830408 447693035 /nfs/dbraw/zinc/69/30/35/447693035.db2.gz GXMCDSOMPJPRLD-DZKIICNBSA-N 2 1 334.464 1.677 20 0 EDADMP CC[NH+]1CCN(c2ccccc2CN2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000428456916 447701403 /nfs/dbraw/zinc/70/14/03/447701403.db2.gz IQTYCECCCRVUOC-SFHVURJKSA-N 2 1 346.519 1.327 20 0 EDADMP COc1cc2[nH+]c(N3CCC[C@H]([C@H](C)[NH3+])C3)nc(N)c2cc1OC ZINC000420182773 447659125 /nfs/dbraw/zinc/65/91/25/447659125.db2.gz GPQCGKSQCWIQRI-QWRGUYRKSA-N 2 1 331.420 1.793 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC(C)(C)CC[NH3+])[C@@H](C)C1 ZINC000422590615 447659277 /nfs/dbraw/zinc/65/92/77/447659277.db2.gz ASVRTEXOYSKXCD-GJZGRUSLSA-N 2 1 328.501 1.550 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000457929464 447675670 /nfs/dbraw/zinc/67/56/70/447675670.db2.gz JRWQBLGSWRHABL-ZACQAIPSSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000457929464 447675678 /nfs/dbraw/zinc/67/56/78/447675678.db2.gz JRWQBLGSWRHABL-ZACQAIPSSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000457929464 447675683 /nfs/dbraw/zinc/67/56/83/447675683.db2.gz JRWQBLGSWRHABL-ZACQAIPSSA-N 2 1 340.512 1.253 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000495960871 447676454 /nfs/dbraw/zinc/67/64/54/447676454.db2.gz OTUAXKVVLKEDKN-INIZCTEOSA-N 2 1 335.448 1.506 20 0 EDADMP C[NH2+]CCC1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000420223606 447677852 /nfs/dbraw/zinc/67/78/52/447677852.db2.gz BDNGRMJEHRVPJL-UHFFFAOYSA-N 2 1 345.447 2.055 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000422641689 447685378 /nfs/dbraw/zinc/68/53/78/447685378.db2.gz YJAPYVYLQDFAFP-MJBXVCDLSA-N 2 1 348.447 1.649 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000422641689 447685382 /nfs/dbraw/zinc/68/53/82/447685382.db2.gz YJAPYVYLQDFAFP-MJBXVCDLSA-N 2 1 348.447 1.649 20 0 EDADMP CSC[C@@H]1CCC[N@@H+]1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496091697 447710181 /nfs/dbraw/zinc/71/01/81/447710181.db2.gz JISPGHHNLZUSHB-GOEBONIOSA-N 2 1 325.478 1.688 20 0 EDADMP CSC[C@@H]1CCC[N@H+]1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496091697 447710190 /nfs/dbraw/zinc/71/01/90/447710190.db2.gz JISPGHHNLZUSHB-GOEBONIOSA-N 2 1 325.478 1.688 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000416938318 447716110 /nfs/dbraw/zinc/71/61/10/447716110.db2.gz FHJMRIKWYQLXMP-QLFBSQMISA-N 2 1 326.485 1.255 20 0 EDADMP CC[C@H](CNC(=O)N[C@H](C[NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000417023642 447731050 /nfs/dbraw/zinc/73/10/50/447731050.db2.gz WBYKLGIGLZQZFN-QZTJIDSGSA-N 2 1 330.476 1.860 20 0 EDADMP Cc1cc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)ccc1OCC[NH+](C)C ZINC000458190481 447740657 /nfs/dbraw/zinc/74/06/57/447740657.db2.gz FJEQRDCDDJEOMR-MRXNPFEDSA-N 2 1 348.491 1.510 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422772778 447747509 /nfs/dbraw/zinc/74/75/09/447747509.db2.gz SWLOGXPDVTWKKZ-UONOGXRCSA-N 2 1 339.505 1.976 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000458237255 447750818 /nfs/dbraw/zinc/75/08/18/447750818.db2.gz LCYLLLSQFITBDP-INIZCTEOSA-N 2 1 341.544 1.432 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1 ZINC000458237255 447750823 /nfs/dbraw/zinc/75/08/23/447750823.db2.gz LCYLLLSQFITBDP-INIZCTEOSA-N 2 1 341.544 1.432 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1 ZINC000458237255 447750829 /nfs/dbraw/zinc/75/08/29/447750829.db2.gz LCYLLLSQFITBDP-INIZCTEOSA-N 2 1 341.544 1.432 20 0 EDADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000458332945 447771117 /nfs/dbraw/zinc/77/11/17/447771117.db2.gz AFMGITYDQSJEQY-VQHPVUNQSA-N 2 1 340.512 1.346 20 0 EDADMP COc1ccc([C@H](NC[C@H]2C[N@@H+](C)CCN2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422914791 447771252 /nfs/dbraw/zinc/77/12/52/447771252.db2.gz VZVBBTRHYCHYKK-WDSOQIARSA-N 2 1 332.492 1.324 20 0 EDADMP COC[C@]1(CO)CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000451936017 447790861 /nfs/dbraw/zinc/79/08/61/447790861.db2.gz SJUZUMNZWMDYDU-VQTJNVASSA-N 2 1 348.487 1.608 20 0 EDADMP COC[C@]1(CO)CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000451936017 447790864 /nfs/dbraw/zinc/79/08/64/447790864.db2.gz SJUZUMNZWMDYDU-VQTJNVASSA-N 2 1 348.487 1.608 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000423029087 447794028 /nfs/dbraw/zinc/79/40/28/447794028.db2.gz HPVBKYHKJWJYTG-VAMGGRTRSA-N 2 1 345.487 1.110 20 0 EDADMP CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000423111903 447807967 /nfs/dbraw/zinc/80/79/67/447807967.db2.gz RGCMYVNADSUOMV-WISYIIOYSA-N 2 1 325.482 1.794 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487692852 447836258 /nfs/dbraw/zinc/83/62/58/447836258.db2.gz SFZTVUTUTPSOPE-CVEARBPZSA-N 2 1 326.485 1.004 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000488368562 447845912 /nfs/dbraw/zinc/84/59/12/447845912.db2.gz CSUWVXSOWKOKRL-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000488368562 447845913 /nfs/dbraw/zinc/84/59/13/447845913.db2.gz CSUWVXSOWKOKRL-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000488368562 447845914 /nfs/dbraw/zinc/84/59/14/447845914.db2.gz CSUWVXSOWKOKRL-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP CCCCNC(=O)NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000575444367 447861872 /nfs/dbraw/zinc/86/18/72/447861872.db2.gz YTIDAVYUCNHEKG-UHFFFAOYSA-N 2 1 326.485 1.665 20 0 EDADMP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000569677221 447863090 /nfs/dbraw/zinc/86/30/90/447863090.db2.gz BBQYIQZVVXPALL-WBVHZDCISA-N 2 1 331.464 1.469 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000569677221 447863092 /nfs/dbraw/zinc/86/30/92/447863092.db2.gz BBQYIQZVVXPALL-WBVHZDCISA-N 2 1 331.464 1.469 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496758549 447886797 /nfs/dbraw/zinc/88/67/97/447886797.db2.gz YBHALQDEUUKDRL-KKUMJFAQSA-N 2 1 329.485 1.534 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H](CC(C)(C)C)[NH2+]C)CC[N@@H+]1CCOC ZINC000569852595 447907513 /nfs/dbraw/zinc/90/75/13/447907513.db2.gz TUBGSSUQFXGCQQ-CVEARBPZSA-N 2 1 327.513 1.970 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H](CC(C)(C)C)[NH2+]C)CC[N@H+]1CCOC ZINC000569852595 447907517 /nfs/dbraw/zinc/90/75/17/447907517.db2.gz TUBGSSUQFXGCQQ-CVEARBPZSA-N 2 1 327.513 1.970 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH2+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000575982721 447943050 /nfs/dbraw/zinc/94/30/50/447943050.db2.gz KNQUEUMQIVUYTN-LSDHHAIUSA-N 2 1 331.416 1.443 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)[NH+]1CC(C)C1 ZINC000552844476 447959144 /nfs/dbraw/zinc/95/91/44/447959144.db2.gz XXYOREBRHRBYEN-SJLPKXTDSA-N 2 1 331.460 1.344 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1C ZINC000530962093 447991694 /nfs/dbraw/zinc/99/16/94/447991694.db2.gz KIBDCRAXLITITC-CQSZACIVSA-N 2 1 334.468 1.113 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000530821073 447965188 /nfs/dbraw/zinc/96/51/88/447965188.db2.gz OQNJXAJWTAECAP-KRWDZBQOSA-N 2 1 344.503 1.506 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000530821073 447965194 /nfs/dbraw/zinc/96/51/94/447965194.db2.gz OQNJXAJWTAECAP-KRWDZBQOSA-N 2 1 344.503 1.506 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000530821073 447965202 /nfs/dbraw/zinc/96/52/02/447965202.db2.gz OQNJXAJWTAECAP-KRWDZBQOSA-N 2 1 344.503 1.506 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531299910 448058387 /nfs/dbraw/zinc/05/83/87/448058387.db2.gz NDADLERCFVUJFN-UYAOXDASSA-N 2 1 345.487 1.424 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531299910 448058393 /nfs/dbraw/zinc/05/83/93/448058393.db2.gz NDADLERCFVUJFN-UYAOXDASSA-N 2 1 345.487 1.424 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531299910 448058396 /nfs/dbraw/zinc/05/83/96/448058396.db2.gz NDADLERCFVUJFN-UYAOXDASSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531303412 448059002 /nfs/dbraw/zinc/05/90/02/448059002.db2.gz HDJZPAKUXRLRBX-HLIPFELVSA-N 2 1 345.487 1.612 20 0 EDADMP COC[C@]1(CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CCC[NH2+]1 ZINC000576568928 448084976 /nfs/dbraw/zinc/08/49/76/448084976.db2.gz DSPIZMONSHDRHM-PKOBYXMFSA-N 2 1 346.475 1.453 20 0 EDADMP COC[C@]1(CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CCC[NH2+]1 ZINC000576568928 448084978 /nfs/dbraw/zinc/08/49/78/448084978.db2.gz DSPIZMONSHDRHM-PKOBYXMFSA-N 2 1 346.475 1.453 20 0 EDADMP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000576569198 448085217 /nfs/dbraw/zinc/08/52/17/448085217.db2.gz WDNICNCPGGBNCG-WBVHZDCISA-N 2 1 346.475 1.054 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000531483827 448092273 /nfs/dbraw/zinc/09/22/73/448092273.db2.gz CEIXNSXQBBUQKZ-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000502755641 448105556 /nfs/dbraw/zinc/10/55/56/448105556.db2.gz JNVLPRWAZKZVQG-QZWWFDLISA-N 2 1 338.496 1.364 20 0 EDADMP CN(C[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(=O)OC(C)(C)C ZINC000497007109 448115853 /nfs/dbraw/zinc/11/58/53/448115853.db2.gz FNRKDPXIBDQQSA-DZGCQCFKSA-N 2 1 327.469 1.288 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497009985 448119796 /nfs/dbraw/zinc/11/97/96/448119796.db2.gz JFWGNXRRSSJKLT-HUUCEWRRSA-N 2 1 329.485 1.488 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497009985 448119798 /nfs/dbraw/zinc/11/97/98/448119798.db2.gz JFWGNXRRSSJKLT-HUUCEWRRSA-N 2 1 329.485 1.488 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497009985 448119799 /nfs/dbraw/zinc/11/97/99/448119799.db2.gz JFWGNXRRSSJKLT-HUUCEWRRSA-N 2 1 329.485 1.488 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497009985 448119802 /nfs/dbraw/zinc/11/98/02/448119802.db2.gz JFWGNXRRSSJKLT-HUUCEWRRSA-N 2 1 329.485 1.488 20 0 EDADMP C[NH+](C)C/C=C\C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000491872986 448139864 /nfs/dbraw/zinc/13/98/64/448139864.db2.gz SMJUGLRXTGQPFM-PLNGDYQASA-N 2 1 344.459 1.059 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000531779037 448142571 /nfs/dbraw/zinc/14/25/71/448142571.db2.gz HPMIZHSXLPNTIG-KRWDZBQOSA-N 2 1 328.497 1.595 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000571618258 448178356 /nfs/dbraw/zinc/17/83/56/448178356.db2.gz XQVFWLCGSIAVEX-LUKYLMHMSA-N 2 1 338.496 1.269 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3ccc[nH]c-3n2)CC1 ZINC000514659892 448180705 /nfs/dbraw/zinc/18/07/05/448180705.db2.gz LHZJEUVNXZQTBB-UHFFFAOYSA-N 2 1 336.399 1.962 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000571642634 448185903 /nfs/dbraw/zinc/18/59/03/448185903.db2.gz QLQWCLPOEVUSCX-GOSISDBHSA-N 2 1 334.464 1.639 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000571642634 448185910 /nfs/dbraw/zinc/18/59/10/448185910.db2.gz QLQWCLPOEVUSCX-GOSISDBHSA-N 2 1 334.464 1.639 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532215940 448215949 /nfs/dbraw/zinc/21/59/49/448215949.db2.gz MHCXXRDQUXVSCG-AWEZNQCLSA-N 2 1 344.459 1.386 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2)C[C@H](C)O1 ZINC000591097607 448261201 /nfs/dbraw/zinc/26/12/01/448261201.db2.gz PCVHBSMOJMGEKF-FCEWJHQRSA-N 2 1 345.487 1.864 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2)C[C@H](C)O1 ZINC000591097607 448261207 /nfs/dbraw/zinc/26/12/07/448261207.db2.gz PCVHBSMOJMGEKF-FCEWJHQRSA-N 2 1 345.487 1.864 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2)C[C@H](C)O1 ZINC000591097607 448261215 /nfs/dbraw/zinc/26/12/15/448261215.db2.gz PCVHBSMOJMGEKF-FCEWJHQRSA-N 2 1 345.487 1.864 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)N(C)CCC[NH3+])cc1 ZINC000515435041 448313072 /nfs/dbraw/zinc/31/30/72/448313072.db2.gz UOJQSLBYOJPADS-ZDUSSCGKSA-N 2 1 343.431 1.165 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1)N1CCCC1 ZINC000577521679 448321144 /nfs/dbraw/zinc/32/11/44/448321144.db2.gz MTXKQVRFSSTCFM-UHFFFAOYSA-N 2 1 342.487 1.072 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000572132762 448297923 /nfs/dbraw/zinc/29/79/23/448297923.db2.gz NOJAEJFXAZGEKL-GOSISDBHSA-N 2 1 333.476 1.593 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572132762 448297929 /nfs/dbraw/zinc/29/79/29/448297929.db2.gz NOJAEJFXAZGEKL-GOSISDBHSA-N 2 1 333.476 1.593 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572132762 448297935 /nfs/dbraw/zinc/29/79/35/448297935.db2.gz NOJAEJFXAZGEKL-GOSISDBHSA-N 2 1 333.476 1.593 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000566162929 448400039 /nfs/dbraw/zinc/40/00/39/448400039.db2.gz NHVWZOAXJGMTMB-MAUKXSAKSA-N 2 1 349.475 1.258 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000566182366 448407540 /nfs/dbraw/zinc/40/75/40/448407540.db2.gz HMBANUMZCIBXSA-CQSZACIVSA-N 2 1 349.479 1.060 20 0 EDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000528151395 448448543 /nfs/dbraw/zinc/44/85/43/448448543.db2.gz MMYBTLZNVSGVIL-OEUWWYETSA-N 2 1 332.448 1.831 20 0 EDADMP CCN(C)C[C@@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000572732139 448452308 /nfs/dbraw/zinc/45/23/08/448452308.db2.gz UZIBTWIHQYPELF-LJQANCHMSA-N 2 1 334.508 1.933 20 0 EDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000572732139 448452313 /nfs/dbraw/zinc/45/23/13/448452313.db2.gz UZIBTWIHQYPELF-LJQANCHMSA-N 3 1 334.508 1.933 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000572732139 448452318 /nfs/dbraw/zinc/45/23/18/448452318.db2.gz UZIBTWIHQYPELF-LJQANCHMSA-N 3 1 334.508 1.933 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000572732139 448452323 /nfs/dbraw/zinc/45/23/23/448452323.db2.gz UZIBTWIHQYPELF-LJQANCHMSA-N 3 1 334.508 1.933 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000572732139 448452329 /nfs/dbraw/zinc/45/23/29/448452329.db2.gz UZIBTWIHQYPELF-LJQANCHMSA-N 3 1 334.508 1.933 20 0 EDADMP CCCN(C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000516634634 448452805 /nfs/dbraw/zinc/45/28/05/448452805.db2.gz YXBZCDAESFBKDI-BBWFWOEESA-N 2 1 338.496 1.413 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC[C@H]21 ZINC000572759586 448458485 /nfs/dbraw/zinc/45/84/85/448458485.db2.gz LCOWKKMJHRMFGO-HYVNUMGLSA-N 2 1 331.464 1.364 20 0 EDADMP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000572884358 448489093 /nfs/dbraw/zinc/48/90/93/448489093.db2.gz BFYPHTQCELBKBL-UHFFFAOYSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(CC(=O)NC3C4CC5CC(C4)CC3C5)C2)C1 ZINC000572937997 448498502 /nfs/dbraw/zinc/49/85/02/448498502.db2.gz SZHGSYXSPIOIQI-AVHGTGSPSA-N 2 1 331.504 1.955 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000584410001 448516447 /nfs/dbraw/zinc/51/64/47/448516447.db2.gz UIOKFOLOEXOWJQ-QAPCUYQASA-N 2 1 330.476 1.441 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000572999021 448519719 /nfs/dbraw/zinc/51/97/19/448519719.db2.gz ANPGMVVZXQLGJW-JEBQAFNWSA-N 2 1 328.460 1.737 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000517234488 448558969 /nfs/dbraw/zinc/55/89/69/448558969.db2.gz JVYVYDOJKCFRCI-XYJFISCASA-N 2 1 332.492 1.976 20 0 EDADMP CC[NH2+]CCCNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000517097699 448537423 /nfs/dbraw/zinc/53/74/23/448537423.db2.gz OGJWSXSYIILIIK-KRWDZBQOSA-N 2 1 347.507 1.496 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000567111000 448616280 /nfs/dbraw/zinc/61/62/80/448616280.db2.gz DMFLOQIXDMHUIU-MSOLQXFVSA-N 2 1 336.476 1.417 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)[C@@H]2C1 ZINC000528715770 448641858 /nfs/dbraw/zinc/64/18/58/448641858.db2.gz WJURBBURERBGOJ-CZUORRHYSA-N 2 1 330.432 1.727 20 0 EDADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCN1CCc2ccccc21 ZINC000573493143 448641929 /nfs/dbraw/zinc/64/19/29/448641929.db2.gz CISZBTIKVKAFDD-HDICACEKSA-N 2 1 342.487 1.097 20 0 EDADMP C[C@H](CNC(=O)[C@H]([NH3+])C1CCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000517928587 448629403 /nfs/dbraw/zinc/62/94/03/448629403.db2.gz JIXDHJZEOJVLJH-CRAIPNDOSA-N 2 1 330.476 1.441 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1)[C@@H]1CCC[NH2+]1 ZINC000579008525 448694080 /nfs/dbraw/zinc/69/40/80/448694080.db2.gz ZHXYRQQQPJDBFZ-HIFRSBDPSA-N 2 1 332.448 1.632 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1)[C@@H]1CCC[NH2+]1 ZINC000579008525 448694084 /nfs/dbraw/zinc/69/40/84/448694084.db2.gz ZHXYRQQQPJDBFZ-HIFRSBDPSA-N 2 1 332.448 1.632 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)c2cn(CC[NH3+])nn2)[C@H]1c1cccs1 ZINC000579025436 448698884 /nfs/dbraw/zinc/69/88/84/448698884.db2.gz CNOHWULMRADSGC-DOMZBBRYSA-N 2 1 348.476 1.111 20 0 EDADMP COC(=O)[C@@H]1C[NH+](CC(C)C[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129445 448699538 /nfs/dbraw/zinc/69/95/38/448699538.db2.gz DEQSXYVQTOZLHY-KLHDSHLOSA-N 2 1 340.464 1.104 20 0 EDADMP CC(C)[NH2+]CCC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000567470142 448700599 /nfs/dbraw/zinc/70/05/99/448700599.db2.gz QIHRIZDEABTVQX-UHFFFAOYSA-N 2 1 347.507 1.971 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000592095624 448679390 /nfs/dbraw/zinc/67/93/90/448679390.db2.gz YDXRXRAVEFCIHB-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000592095624 448679395 /nfs/dbraw/zinc/67/93/95/448679395.db2.gz YDXRXRAVEFCIHB-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000592095624 448679399 /nfs/dbraw/zinc/67/93/99/448679399.db2.gz YDXRXRAVEFCIHB-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H](NC(=O)NCC[NH+](C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000519008880 448732897 /nfs/dbraw/zinc/73/28/97/448732897.db2.gz OLPQOGNYGWQWCQ-DOTOQJQBSA-N 2 1 334.464 1.137 20 0 EDADMP C[C@H](NC(=O)NCC[NH+](C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000519008880 448732901 /nfs/dbraw/zinc/73/29/01/448732901.db2.gz OLPQOGNYGWQWCQ-DOTOQJQBSA-N 2 1 334.464 1.137 20 0 EDADMP COc1cccc([C@H](CNC[C@@H](O)C[N@@H+](C)C2CC2)[NH+]2CCCC2)c1 ZINC000567679700 448735975 /nfs/dbraw/zinc/73/59/75/448735975.db2.gz CPJSUHNLLQWOHU-QUCCMNQESA-N 2 1 347.503 1.877 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000579241774 448751900 /nfs/dbraw/zinc/75/19/00/448751900.db2.gz INCZJSYGJUDMGZ-QGZVFWFLSA-N 2 1 336.524 1.204 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000529282995 448806290 /nfs/dbraw/zinc/80/62/90/448806290.db2.gz NYAZKUYSIJSEAV-ROUUACIJSA-N 2 1 330.476 1.900 20 0 EDADMP [NH3+]CCC1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000568052047 448807498 /nfs/dbraw/zinc/80/74/98/448807498.db2.gz KNAUEFHTNOQOOD-DLBZAZTESA-N 2 1 338.496 1.400 20 0 EDADMP [NH3+]CC1(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000529286052 448807585 /nfs/dbraw/zinc/80/75/85/448807585.db2.gz VWHPZFAWGCPTRY-MRXNPFEDSA-N 2 1 332.448 1.068 20 0 EDADMP Cn1c(C[NH+]2CCC(OCCC[NH3+])CC2)nnc1-c1ccccc1 ZINC000519607654 448798089 /nfs/dbraw/zinc/79/80/89/448798089.db2.gz VNZIQKYGYVCNDT-UHFFFAOYSA-N 2 1 329.448 1.812 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000529314760 448818680 /nfs/dbraw/zinc/81/86/80/448818680.db2.gz HUGOZCXIQYZLNX-NVXWUHKLSA-N 2 1 346.475 1.457 20 0 EDADMP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000579598401 448831399 /nfs/dbraw/zinc/83/13/99/448831399.db2.gz DLFAIDSPZDEIKQ-HIFRSBDPSA-N 2 1 328.420 1.172 20 0 EDADMP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000579598401 448831401 /nfs/dbraw/zinc/83/14/01/448831401.db2.gz DLFAIDSPZDEIKQ-HIFRSBDPSA-N 2 1 328.420 1.172 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@H](C)C1 ZINC000574403139 448865729 /nfs/dbraw/zinc/86/57/29/448865729.db2.gz XTAGSTLVRHUVJJ-NJAFHUGGSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000574504368 448887750 /nfs/dbraw/zinc/88/77/50/448887750.db2.gz CXQUXPQAJDVKJU-CRAIPNDOSA-N 2 1 330.476 1.905 20 0 EDADMP Cn1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(-c2cccnc2)n1 ZINC000579832514 448890650 /nfs/dbraw/zinc/89/06/50/448890650.db2.gz GKIOBUFJPVPEKL-QGZVFWFLSA-N 2 1 341.459 1.669 20 0 EDADMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000548023092 448968637 /nfs/dbraw/zinc/96/86/37/448968637.db2.gz QOVWNYJZXOLQDT-CABCVRRESA-N 2 1 336.505 1.684 20 0 EDADMP Cc1ncsc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000548023092 448968645 /nfs/dbraw/zinc/96/86/45/448968645.db2.gz QOVWNYJZXOLQDT-CABCVRRESA-N 2 1 336.505 1.684 20 0 EDADMP Cc1ncsc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000548023092 448968651 /nfs/dbraw/zinc/96/86/51/448968651.db2.gz QOVWNYJZXOLQDT-CABCVRRESA-N 2 1 336.505 1.684 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000569334773 449004464 /nfs/dbraw/zinc/00/44/64/449004464.db2.gz BANUJMJPPVMSDK-XIRDDKMYSA-N 2 1 348.516 1.735 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000569334773 449004468 /nfs/dbraw/zinc/00/44/68/449004468.db2.gz BANUJMJPPVMSDK-XIRDDKMYSA-N 2 1 348.516 1.735 20 0 EDADMP C[C@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000575106227 449035741 /nfs/dbraw/zinc/03/57/41/449035741.db2.gz FZNAUVKJFKZTHD-HOTGVXAUSA-N 2 1 346.475 1.775 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592955563 449075109 /nfs/dbraw/zinc/07/51/09/449075109.db2.gz AANMNVIMVYXULK-JKSUJKDBSA-N 2 1 347.507 1.961 20 0 EDADMP CN(C(=O)NC1CCN(c2ccccn2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522080575 449049119 /nfs/dbraw/zinc/04/91/19/449049119.db2.gz QIOWOHKMPKJRBH-QGZVFWFLSA-N 2 1 343.475 1.929 20 0 EDADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2C)n(C2CC[NH+](C)CC2)n1 ZINC000582278091 449054022 /nfs/dbraw/zinc/05/40/22/449054022.db2.gz FRWPDKQFNIIXHI-OAHLLOKOSA-N 2 1 334.468 1.674 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CC1 ZINC000522201058 449062670 /nfs/dbraw/zinc/06/26/70/449062670.db2.gz NDRBEBFDDHFYQT-MSOLQXFVSA-N 2 1 330.476 1.750 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000604654799 449269592 /nfs/dbraw/zinc/26/95/92/449269592.db2.gz QQHWDUIHQWEUHS-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604654799 449269603 /nfs/dbraw/zinc/26/96/03/449269603.db2.gz QQHWDUIHQWEUHS-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604654799 449269616 /nfs/dbraw/zinc/26/96/16/449269616.db2.gz QQHWDUIHQWEUHS-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598452519 449402055 /nfs/dbraw/zinc/40/20/55/449402055.db2.gz LICODFQRIAPWEK-INIZCTEOSA-N 2 1 343.537 1.119 20 0 EDADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000614066893 449441477 /nfs/dbraw/zinc/44/14/77/449441477.db2.gz LTWPTXOVKDNTDG-HXUWFJFHSA-N 2 1 345.487 1.350 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)o1 ZINC000606421139 449462803 /nfs/dbraw/zinc/46/28/03/449462803.db2.gz QLZIYCSPSOJZRT-HNNXBMFYSA-N 2 1 337.464 1.820 20 0 EDADMP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000600711621 449511025 /nfs/dbraw/zinc/51/10/25/449511025.db2.gz SOZJULAKIKTAQC-HZPDHXFCSA-N 2 1 333.432 1.139 20 0 EDADMP COC(=O)c1cnc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000600712501 449511124 /nfs/dbraw/zinc/51/11/24/449511124.db2.gz XMAREVNNCGQJHD-ZBFHGGJFSA-N 2 1 326.400 1.438 20 0 EDADMP COC(=O)c1cnc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000600712501 449511128 /nfs/dbraw/zinc/51/11/28/449511128.db2.gz XMAREVNNCGQJHD-ZBFHGGJFSA-N 2 1 326.400 1.438 20 0 EDADMP COC(=O)[C@H](C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000602445185 449593023 /nfs/dbraw/zinc/59/30/23/449593023.db2.gz UGOTUFXJTLOJCD-AWEZNQCLSA-N 2 1 333.432 1.048 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1CCN(CC(F)F)CC1 ZINC000617506930 449654685 /nfs/dbraw/zinc/65/46/85/449654685.db2.gz CMJHHKYQJASQBY-AWEZNQCLSA-N 2 1 348.482 1.352 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1CCN(CC(F)F)CC1 ZINC000617506930 449654693 /nfs/dbraw/zinc/65/46/93/449654693.db2.gz CMJHHKYQJASQBY-AWEZNQCLSA-N 2 1 348.482 1.352 20 0 EDADMP CCN(C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1CC[N@H+](C)C1 ZINC000617555141 449684030 /nfs/dbraw/zinc/68/40/30/449684030.db2.gz QMBODZZSCKXDRW-MOPGFXCFSA-N 2 1 345.487 1.830 20 0 EDADMP CCN(C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1CC[N@@H+](C)C1 ZINC000617555141 449684037 /nfs/dbraw/zinc/68/40/37/449684037.db2.gz QMBODZZSCKXDRW-MOPGFXCFSA-N 2 1 345.487 1.830 20 0 EDADMP CCN(C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000617555141 449684041 /nfs/dbraw/zinc/68/40/41/449684041.db2.gz QMBODZZSCKXDRW-MOPGFXCFSA-N 2 1 345.487 1.830 20 0 EDADMP CCN(C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000617555141 449684047 /nfs/dbraw/zinc/68/40/47/449684047.db2.gz QMBODZZSCKXDRW-MOPGFXCFSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1nn(C)c2ccccc12 ZINC000617502644 449647141 /nfs/dbraw/zinc/64/71/41/449647141.db2.gz XGZMZKXAPUSLFG-HNNXBMFYSA-N 2 1 345.491 1.504 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1nn(C)c2ccccc12 ZINC000617502644 449647147 /nfs/dbraw/zinc/64/71/47/449647147.db2.gz XGZMZKXAPUSLFG-HNNXBMFYSA-N 2 1 345.491 1.504 20 0 EDADMP Cc1cc(C)n([C@H](C)CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000617504946 449648927 /nfs/dbraw/zinc/64/89/27/449648927.db2.gz QKFKGJOUVGNMHF-DOTOQJQBSA-N 2 1 337.512 1.839 20 0 EDADMP Cc1cc(C)n([C@H](C)CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617504946 449648931 /nfs/dbraw/zinc/64/89/31/449648931.db2.gz QKFKGJOUVGNMHF-DOTOQJQBSA-N 2 1 337.512 1.839 20 0 EDADMP C[NH+]1CCC(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000617701454 449747258 /nfs/dbraw/zinc/74/72/58/449747258.db2.gz XRCAEIXXFPJJJM-GOSISDBHSA-N 2 1 331.460 1.211 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000601218979 449755844 /nfs/dbraw/zinc/75/58/44/449755844.db2.gz MRONGWZMUZHWTL-SJORKVTESA-N 2 1 340.512 1.515 20 0 EDADMP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000594919174 449807343 /nfs/dbraw/zinc/80/73/43/449807343.db2.gz PVEBJVQNICVYPT-JCGIZDLHSA-N 2 1 332.444 1.806 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)OC)[C@@H](C)C1 ZINC000594926728 449810144 /nfs/dbraw/zinc/81/01/44/449810144.db2.gz UEHGSJQGDXEDSY-QEOTZNIISA-N 2 1 326.481 1.911 20 0 EDADMP C[C@@H]1CCC[C@H](OCC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000602767601 449792086 /nfs/dbraw/zinc/79/20/86/449792086.db2.gz HTSLLKSBOWBMPN-NUJGCVRESA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1CCC[C@H](OCC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000602767601 449792088 /nfs/dbraw/zinc/79/20/88/449792088.db2.gz HTSLLKSBOWBMPN-NUJGCVRESA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@@H+](C)C2)Cc2ccccc2C1 ZINC000608648276 449896875 /nfs/dbraw/zinc/89/68/75/449896875.db2.gz QVJBSIPLAMMXAS-KRWDZBQOSA-N 2 1 330.476 1.479 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)[C@H](Cc2ccccc2)C1 ZINC000612994164 449976329 /nfs/dbraw/zinc/97/63/29/449976329.db2.gz HDXKKBYMCSREHO-MSOLQXFVSA-N 2 1 342.487 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)[C@H](Cc2ccccc2)C1 ZINC000612994164 449976334 /nfs/dbraw/zinc/97/63/34/449976334.db2.gz HDXKKBYMCSREHO-MSOLQXFVSA-N 2 1 342.487 1.697 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3C[C@H]4CCCC[C@H]4NC3=O)C2)CC1 ZINC000595312052 450025385 /nfs/dbraw/zinc/02/53/85/450025385.db2.gz KWNBTMXPGQJTEU-BRSBDYLESA-N 2 1 334.508 1.146 20 0 EDADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613208685 450081632 /nfs/dbraw/zinc/08/16/32/450081632.db2.gz DUYAVTPSYYRRGQ-TUAOUCFPSA-N 2 1 331.243 1.884 20 0 EDADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613208685 450081638 /nfs/dbraw/zinc/08/16/38/450081638.db2.gz DUYAVTPSYYRRGQ-TUAOUCFPSA-N 2 1 331.243 1.884 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C1([NH+](C)C)CC1 ZINC000613719280 450277627 /nfs/dbraw/zinc/27/76/27/450277627.db2.gz DYOLDQLIXXKBDQ-GOSISDBHSA-N 2 1 331.460 1.176 20 0 EDADMP COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000619781398 450333354 /nfs/dbraw/zinc/33/33/54/450333354.db2.gz UWJDEIBYJYOGKH-HNNXBMFYSA-N 2 1 339.480 1.062 20 0 EDADMP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000619781398 450333356 /nfs/dbraw/zinc/33/33/56/450333356.db2.gz UWJDEIBYJYOGKH-HNNXBMFYSA-N 2 1 339.480 1.062 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](CCOC3CCOCC3)CC2)CC1 ZINC000625482576 450385898 /nfs/dbraw/zinc/38/58/98/450385898.db2.gz RFYLZHPDYBVMSV-UHFFFAOYSA-N 2 1 339.524 1.674 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000619968833 450386910 /nfs/dbraw/zinc/38/69/10/450386910.db2.gz KPBNKRPFGNQNDA-GVDBMIGSSA-N 2 1 333.476 1.373 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1CCC[N@H+]1C1CC1 ZINC000619968833 450386911 /nfs/dbraw/zinc/38/69/11/450386911.db2.gz KPBNKRPFGNQNDA-GVDBMIGSSA-N 2 1 333.476 1.373 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NCCC[NH+](C)C)c2)CCO1 ZINC000619938610 450378476 /nfs/dbraw/zinc/37/84/76/450378476.db2.gz RZQQXUNGABMZIZ-INIZCTEOSA-N 2 1 348.491 1.658 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NCCC[NH+](C)C)c2)CCO1 ZINC000619938610 450378481 /nfs/dbraw/zinc/37/84/81/450378481.db2.gz RZQQXUNGABMZIZ-INIZCTEOSA-N 2 1 348.491 1.658 20 0 EDADMP C[NH+](C)C1(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000616535533 450443699 /nfs/dbraw/zinc/44/36/99/450443699.db2.gz JTDAAVJEZQPPFP-QZTJIDSGSA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+](C)C1(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000616535533 450443700 /nfs/dbraw/zinc/44/37/00/450443700.db2.gz JTDAAVJEZQPPFP-QZTJIDSGSA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620483059 450501335 /nfs/dbraw/zinc/50/13/35/450501335.db2.gz XLRUUHCNFLWGJA-OAHLLOKOSA-N 2 1 337.489 1.481 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)CC1(C)C ZINC000623507048 450534419 /nfs/dbraw/zinc/53/44/19/450534419.db2.gz VPUSLBYDLQSKPA-HNNXBMFYSA-N 2 1 340.489 1.415 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)CC1(C)C ZINC000623507048 450534422 /nfs/dbraw/zinc/53/44/22/450534422.db2.gz VPUSLBYDLQSKPA-HNNXBMFYSA-N 2 1 340.489 1.415 20 0 EDADMP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000625943976 450539381 /nfs/dbraw/zinc/53/93/81/450539381.db2.gz BHUAUIWAMBQURJ-HZPDHXFCSA-N 2 1 330.432 1.917 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNCc1c(F)cccc1N1CCCC1 ZINC000623617920 450552105 /nfs/dbraw/zinc/55/21/05/450552105.db2.gz VRYNSDVZELHQNB-SFHVURJKSA-N 2 1 348.466 1.855 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNCc1c(F)cccc1N1CCCC1 ZINC000623617920 450552108 /nfs/dbraw/zinc/55/21/08/450552108.db2.gz VRYNSDVZELHQNB-SFHVURJKSA-N 2 1 348.466 1.855 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nn(C)cc3C)CC2)CC1 ZINC000620925505 450562903 /nfs/dbraw/zinc/56/29/03/450562903.db2.gz FXDDRABAWUWQOO-UHFFFAOYSA-N 2 1 333.480 1.863 20 0 EDADMP O=C(NCC[NH+]1CCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626240999 450642989 /nfs/dbraw/zinc/64/29/89/450642989.db2.gz QQXAOGMPISLDML-RBUKOAKNSA-N 2 1 327.472 1.967 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000629543268 450729568 /nfs/dbraw/zinc/72/95/68/450729568.db2.gz XNOUDVLWFXSLSY-IRXDYDNUSA-N 2 1 329.448 1.110 20 0 EDADMP Cc1cncc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000629543268 450729572 /nfs/dbraw/zinc/72/95/72/450729572.db2.gz XNOUDVLWFXSLSY-IRXDYDNUSA-N 2 1 329.448 1.110 20 0 EDADMP O=C(NCC[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000629555176 450733002 /nfs/dbraw/zinc/73/30/02/450733002.db2.gz YZFNVBVOOLOUQB-HNNXBMFYSA-N 2 1 325.840 1.116 20 0 EDADMP O[C@H](C[NH2+]CCOc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000629559546 450736137 /nfs/dbraw/zinc/73/61/37/450736137.db2.gz UFRKPPYZWGFDLG-CQSZACIVSA-N 2 1 343.265 1.874 20 0 EDADMP C[C@H](NC(=O)C[N@H+](C)CCOCC[NH3+])c1cccc2ccccc21 ZINC000629579390 450747620 /nfs/dbraw/zinc/74/76/20/450747620.db2.gz LQLKOXIZQPONNB-HNNXBMFYSA-N 2 1 329.444 1.924 20 0 EDADMP C[C@H](NC(=O)C[N@@H+](C)CCOCC[NH3+])c1cccc2ccccc21 ZINC000629579390 450747622 /nfs/dbraw/zinc/74/76/22/450747622.db2.gz LQLKOXIZQPONNB-HNNXBMFYSA-N 2 1 329.444 1.924 20 0 EDADMP COc1ccc([C@@H]2CC[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)cc1F ZINC000629672467 450776676 /nfs/dbraw/zinc/77/66/76/450776676.db2.gz OOUJJFPZZGKMOX-GDBMZVCRSA-N 2 1 349.450 1.821 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)CC1 ZINC000631797726 450782972 /nfs/dbraw/zinc/78/29/72/450782972.db2.gz FMKIFXNLUGQMMF-UHFFFAOYSA-N 2 1 343.537 1.608 20 0 EDADMP C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000635286785 450817404 /nfs/dbraw/zinc/81/74/04/450817404.db2.gz GNTHJFNJCFPLRW-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000633375197 450824424 /nfs/dbraw/zinc/82/44/24/450824424.db2.gz HGTJWLMQWFNASO-AWEZNQCLSA-N 2 1 335.448 1.664 20 0 EDADMP C[N@@H+]1C[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)[C@@H](c2ccccc2)C1 ZINC000626680563 450850576 /nfs/dbraw/zinc/85/05/76/450850576.db2.gz PKBYCRNFFKXYSE-HCXYKTFWSA-N 2 1 345.462 1.977 20 0 EDADMP C[N@H+]1C[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)[C@@H](c2ccccc2)C1 ZINC000626680563 450850579 /nfs/dbraw/zinc/85/05/79/450850579.db2.gz PKBYCRNFFKXYSE-HCXYKTFWSA-N 2 1 345.462 1.977 20 0 EDADMP CN1CCCC[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1=O ZINC000635412079 450918428 /nfs/dbraw/zinc/91/84/28/450918428.db2.gz YSDAKAGTKRHDNP-CQSZACIVSA-N 2 1 345.447 1.030 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C[C@@H]3CC[NH+](C)C3)c2)CCO1 ZINC000635426343 450931221 /nfs/dbraw/zinc/93/12/21/450931221.db2.gz QSBBGVXTJICSQT-APWZRJJASA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C[C@@H]3CC[NH+](C)C3)c2)CCO1 ZINC000635426343 450931229 /nfs/dbraw/zinc/93/12/29/450931229.db2.gz QSBBGVXTJICSQT-APWZRJJASA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)c2)CCO1 ZINC000635426343 450931232 /nfs/dbraw/zinc/93/12/32/450931232.db2.gz QSBBGVXTJICSQT-APWZRJJASA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)c2)CCO1 ZINC000635426343 450931238 /nfs/dbraw/zinc/93/12/38/450931238.db2.gz QSBBGVXTJICSQT-APWZRJJASA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000635469690 450968958 /nfs/dbraw/zinc/96/89/58/450968958.db2.gz BTNWWINKYJHYOJ-KSZLIROESA-N 2 1 336.524 1.345 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635469690 450968961 /nfs/dbraw/zinc/96/89/61/450968961.db2.gz BTNWWINKYJHYOJ-KSZLIROESA-N 2 1 336.524 1.345 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635469690 450968965 /nfs/dbraw/zinc/96/89/65/450968965.db2.gz BTNWWINKYJHYOJ-KSZLIROESA-N 2 1 336.524 1.345 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000632026769 450978433 /nfs/dbraw/zinc/97/84/33/450978433.db2.gz LWFFAQYZAQJSRT-JKSUJKDBSA-N 2 1 331.526 1.464 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000626974765 451044173 /nfs/dbraw/zinc/04/41/73/451044173.db2.gz JSTHEQVWRBEUHT-LSDHHAIUSA-N 2 1 326.485 1.175 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[nH+]c1 ZINC000626936396 451018407 /nfs/dbraw/zinc/01/84/07/451018407.db2.gz JMWFNVUBLVOWOX-HDICACEKSA-N 2 1 331.464 1.833 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000626952958 451030933 /nfs/dbraw/zinc/03/09/33/451030933.db2.gz JXLLWSCGKNMZEG-VKJFTORMSA-N 2 1 330.476 1.873 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626966462 451039366 /nfs/dbraw/zinc/03/93/66/451039366.db2.gz VPOFINAPMYIKQO-RWMBFGLXSA-N 2 1 338.418 1.885 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)[N@@H+](C)C1CC1 ZINC000626970172 451040867 /nfs/dbraw/zinc/04/08/67/451040867.db2.gz KGSRVONJEPESAW-NQBHXWOUSA-N 2 1 336.402 1.638 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000626986990 451052855 /nfs/dbraw/zinc/05/28/55/451052855.db2.gz TULMULBFYRWPSX-LPWJVIDDSA-N 2 1 336.402 1.638 20 0 EDADMP C[C@H](CCNC(=O)NC[C@H]1COCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000626991657 451057521 /nfs/dbraw/zinc/05/75/21/451057521.db2.gz JQFHGFHPDQQSDF-WBVHZDCISA-N 2 1 334.464 1.185 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CCOCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000626994870 451060593 /nfs/dbraw/zinc/06/05/93/451060593.db2.gz KWFKTNKRGUAQKV-SJLPKXTDSA-N 2 1 348.491 1.656 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCCOCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000626998406 451064881 /nfs/dbraw/zinc/06/48/81/451064881.db2.gz MNMKFBGFEXWCMU-RDJZCZTQSA-N 2 1 334.464 1.314 20 0 EDADMP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000635570118 451068364 /nfs/dbraw/zinc/06/83/64/451068364.db2.gz YYZCWUCTFFOVEG-ZWKOTPCHSA-N 2 1 344.459 1.025 20 0 EDADMP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000635599336 451095045 /nfs/dbraw/zinc/09/50/45/451095045.db2.gz LJVSIILFNWJBRA-SJLPKXTDSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000635599336 451095049 /nfs/dbraw/zinc/09/50/49/451095049.db2.gz LJVSIILFNWJBRA-SJLPKXTDSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N(C)CCOCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000627039287 451096903 /nfs/dbraw/zinc/09/69/03/451096903.db2.gz ULKJRWMCZGZFJP-WBVHZDCISA-N 2 1 334.464 1.266 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2cc(=O)[nH]cc21 ZINC000628050892 451105271 /nfs/dbraw/zinc/10/52/71/451105271.db2.gz PGOCKCAXTBVLIK-AWEZNQCLSA-N 2 1 344.459 1.942 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2cc(=O)[nH]cc21 ZINC000628050892 451105276 /nfs/dbraw/zinc/10/52/76/451105276.db2.gz PGOCKCAXTBVLIK-AWEZNQCLSA-N 2 1 344.459 1.942 20 0 EDADMP CN1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)([NH+]2CCCCC2)CC1 ZINC000635617146 451108088 /nfs/dbraw/zinc/10/80/88/451108088.db2.gz ZNOYWICFECUERR-QGZVFWFLSA-N 2 1 336.524 1.395 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000635641322 451129251 /nfs/dbraw/zinc/12/92/51/451129251.db2.gz UZJIRJKMQIAGLX-INIZCTEOSA-N 2 1 336.480 1.966 20 0 EDADMP CN(CC[NH+](C)C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635641382 451129725 /nfs/dbraw/zinc/12/97/25/451129725.db2.gz SKMRNRYBZLAGOU-ICSRJNTNSA-N 2 1 345.487 1.545 20 0 EDADMP C[C@H]1CC[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C[NH2+]1 ZINC000627201318 451183879 /nfs/dbraw/zinc/18/38/79/451183879.db2.gz GARCYUXNYVQADO-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP CCN(C(=O)NCCOCCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627216901 451192020 /nfs/dbraw/zinc/19/20/20/451192020.db2.gz XHDAPBDFAQLFFB-GOSISDBHSA-N 2 1 348.491 1.658 20 0 EDADMP COC[C@]1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCCC[NH2+]1 ZINC000638117569 451286312 /nfs/dbraw/zinc/28/63/12/451286312.db2.gz MLJHHHGRMQGGKX-QUCCMNQESA-N 2 1 345.487 1.926 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cccc4cccnc43)nn2)CC1 ZINC000630597021 451269942 /nfs/dbraw/zinc/26/99/42/451269942.db2.gz CKXBPFWLZBNRCA-UHFFFAOYSA-N 2 1 336.443 1.840 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638127630 451299440 /nfs/dbraw/zinc/29/94/40/451299440.db2.gz WXTCSKWZAGMBCZ-PKOBYXMFSA-N 2 1 331.460 1.475 20 0 EDADMP [NH3+]C1(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CCC1 ZINC000638161637 451330204 /nfs/dbraw/zinc/33/02/04/451330204.db2.gz GXGLUYXWMJBMIP-MJGOQNOKSA-N 2 1 343.471 1.523 20 0 EDADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])cc1Br ZINC000638293036 451409838 /nfs/dbraw/zinc/40/98/38/451409838.db2.gz IIBUXRBZIAGLOY-QWHCGFSZSA-N 2 1 342.237 1.565 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630871006 451452259 /nfs/dbraw/zinc/45/22/59/451452259.db2.gz FDGLQAHHXKKIJN-KRWDZBQOSA-N 2 1 335.496 1.829 20 0 EDADMP CO[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1CCOC1 ZINC000638368516 451466719 /nfs/dbraw/zinc/46/67/19/451466719.db2.gz XSBWGWULACQUSC-PMACEKPBSA-N 2 1 347.503 1.575 20 0 EDADMP COc1ccc(CN2CC[C@@H]2C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000636052368 451467542 /nfs/dbraw/zinc/46/75/42/451467542.db2.gz CQIIUICJNGSMAU-FUHWJXTLSA-N 2 1 331.460 1.822 20 0 EDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634715577 451495367 /nfs/dbraw/zinc/49/53/67/451495367.db2.gz GEULMJHYPYQSAH-VQTJNVASSA-N 2 1 331.504 1.945 20 0 EDADMP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634715577 451495374 /nfs/dbraw/zinc/49/53/74/451495374.db2.gz GEULMJHYPYQSAH-VQTJNVASSA-N 3 1 331.504 1.945 20 0 EDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634715577 451495379 /nfs/dbraw/zinc/49/53/79/451495379.db2.gz GEULMJHYPYQSAH-VQTJNVASSA-N 3 1 331.504 1.945 20 0 EDADMP C[NH+]1CCC[C@@H](CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634715577 451495383 /nfs/dbraw/zinc/49/53/83/451495383.db2.gz GEULMJHYPYQSAH-VQTJNVASSA-N 3 1 331.504 1.945 20 0 EDADMP C[NH+]1CCC[C@@H](CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634715577 451495388 /nfs/dbraw/zinc/49/53/88/451495388.db2.gz GEULMJHYPYQSAH-VQTJNVASSA-N 3 1 331.504 1.945 20 0 EDADMP O[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000634720856 451500980 /nfs/dbraw/zinc/50/09/80/451500980.db2.gz PUXYPDSOHGDKGZ-RTBURBONSA-N 2 1 334.460 1.001 20 0 EDADMP O[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000634720856 451500987 /nfs/dbraw/zinc/50/09/87/451500987.db2.gz PUXYPDSOHGDKGZ-RTBURBONSA-N 2 1 334.460 1.001 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000636786355 451506910 /nfs/dbraw/zinc/50/69/10/451506910.db2.gz PSOGWXRVACXRJY-QZTJIDSGSA-N 2 1 346.475 1.017 20 0 EDADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000636786355 451506917 /nfs/dbraw/zinc/50/69/17/451506917.db2.gz PSOGWXRVACXRJY-QZTJIDSGSA-N 2 1 346.475 1.017 20 0 EDADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000636786355 451506919 /nfs/dbraw/zinc/50/69/19/451506919.db2.gz PSOGWXRVACXRJY-QZTJIDSGSA-N 2 1 346.475 1.017 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC000634745823 451522218 /nfs/dbraw/zinc/52/22/18/451522218.db2.gz UMFQZCXODDIHOF-RLLQIKCJSA-N 2 1 343.471 1.345 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC000634745823 451522220 /nfs/dbraw/zinc/52/22/20/451522220.db2.gz UMFQZCXODDIHOF-RLLQIKCJSA-N 2 1 343.471 1.345 20 0 EDADMP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000634760756 451532207 /nfs/dbraw/zinc/53/22/07/451532207.db2.gz LLDJYACEXCBQAM-RDJZCZTQSA-N 2 1 330.476 1.940 20 0 EDADMP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000634760756 451532213 /nfs/dbraw/zinc/53/22/13/451532213.db2.gz LLDJYACEXCBQAM-RDJZCZTQSA-N 2 1 330.476 1.940 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000638513481 451552122 /nfs/dbraw/zinc/55/21/22/451552122.db2.gz MKMCOAZPZBBION-QYZOEREBSA-N 2 1 345.487 1.719 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(C(F)F)nc2)C1 ZINC000631064557 451563861 /nfs/dbraw/zinc/56/38/61/451563861.db2.gz PKNJTEYGUVQKPW-CYBMUJFWSA-N 2 1 326.391 1.696 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(C(F)F)nc2)C1 ZINC000631064557 451563869 /nfs/dbraw/zinc/56/38/69/451563869.db2.gz PKNJTEYGUVQKPW-CYBMUJFWSA-N 2 1 326.391 1.696 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000629175907 451581932 /nfs/dbraw/zinc/58/19/32/451581932.db2.gz ZSMYQNGRYPTPLR-QGZVFWFLSA-N 2 1 326.400 1.044 20 0 EDADMP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000638618168 451611495 /nfs/dbraw/zinc/61/14/95/451611495.db2.gz LKERQKJBXXVHGT-NVXWUHKLSA-N 2 1 335.423 1.142 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@H]3COCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000638620072 451614484 /nfs/dbraw/zinc/61/44/84/451614484.db2.gz YKOPNQFDBZETNO-DAYGRLMNSA-N 2 1 347.459 1.014 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@H]3COCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000638620072 451614492 /nfs/dbraw/zinc/61/44/92/451614492.db2.gz YKOPNQFDBZETNO-DAYGRLMNSA-N 2 1 347.459 1.014 20 0 EDADMP C[NH+]1CCC(CC(=O)N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000636294551 451664294 /nfs/dbraw/zinc/66/42/94/451664294.db2.gz DADABAQWFOHCNT-UHFFFAOYSA-N 2 1 330.476 1.500 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc1 ZINC000636255301 451625537 /nfs/dbraw/zinc/62/55/37/451625537.db2.gz GSCAVPNUWVGTHD-USXIJHARSA-N 2 1 340.427 1.913 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc1 ZINC000636255301 451625544 /nfs/dbraw/zinc/62/55/44/451625544.db2.gz GSCAVPNUWVGTHD-USXIJHARSA-N 2 1 340.427 1.913 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[NH2+]1 ZINC000638640444 451626440 /nfs/dbraw/zinc/62/64/40/451626440.db2.gz BNYDOHCANKIIFO-QAPCUYQASA-N 2 1 330.476 1.304 20 0 EDADMP C[C@H]1C[C@H](CC[NH2+]Cc2cnc(N)nc2N)C[N@H+]1Cc1ccccc1 ZINC000638797150 451694338 /nfs/dbraw/zinc/69/43/38/451694338.db2.gz PASUQGRKPNXSIY-HOCLYGCPSA-N 2 1 340.475 1.692 20 0 EDADMP C[C@@]1(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C[NH2+]CCO1 ZINC000638852189 451711131 /nfs/dbraw/zinc/71/11/31/451711131.db2.gz VRVCJPQCWALLAB-QUCCMNQESA-N 2 1 345.487 1.926 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000636473574 451726839 /nfs/dbraw/zinc/72/68/39/451726839.db2.gz CQKVHGKDFGRJDM-QZTJIDSGSA-N 2 1 348.491 1.435 20 0 EDADMP CO[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@@H]1CCOC1 ZINC000638970274 451743480 /nfs/dbraw/zinc/74/34/80/451743480.db2.gz KPEKWZQXLCYRDB-HSALFYBXSA-N 2 1 348.487 1.784 20 0 EDADMP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000638984750 451745887 /nfs/dbraw/zinc/74/58/87/451745887.db2.gz QKPMVHQHKDGUAU-JKSUJKDBSA-N 2 1 329.448 1.065 20 0 EDADMP [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638987476 451747916 /nfs/dbraw/zinc/74/79/16/451747916.db2.gz RBGZJOYUZKYJAE-CVEARBPZSA-N 2 1 331.464 1.727 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3nc(C4CCCC4)no3)nn2)CC1 ZINC000641097257 451748742 /nfs/dbraw/zinc/74/87/42/451748742.db2.gz ZHEPGKLGAYIMLX-UHFFFAOYSA-N 2 1 345.451 1.333 20 0 EDADMP COC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CCCC[NH2+]1 ZINC000639001407 451750255 /nfs/dbraw/zinc/75/02/55/451750255.db2.gz KXLNYZCRVGCVKJ-UYAOXDASSA-N 2 1 345.487 1.844 20 0 EDADMP O[C@@]1(Cn2cc(C[NH+]3CCCC3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641230365 451791351 /nfs/dbraw/zinc/79/13/51/451791351.db2.gz PZNNQRUZYWJENO-IBGZPJMESA-N 2 1 341.459 1.511 20 0 EDADMP O[C@@]1(Cn2cc(C[NH+]3CCCC3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641230365 451791353 /nfs/dbraw/zinc/79/13/53/451791353.db2.gz PZNNQRUZYWJENO-IBGZPJMESA-N 2 1 341.459 1.511 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCCC1CC[NH2+]CC1 ZINC000653272611 451808373 /nfs/dbraw/zinc/80/83/73/451808373.db2.gz WDAYYOFYPCVLSS-LJQANCHMSA-N 2 1 345.487 1.783 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCC1CC[NH2+]CC1 ZINC000653272611 451808380 /nfs/dbraw/zinc/80/83/80/451808380.db2.gz WDAYYOFYPCVLSS-LJQANCHMSA-N 2 1 345.487 1.783 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)C1CC1 ZINC000644549377 451854945 /nfs/dbraw/zinc/85/49/45/451854945.db2.gz CMSWFPMLMAWPQM-DZGCQCFKSA-N 2 1 325.403 1.588 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)C1CC1 ZINC000644549377 451854950 /nfs/dbraw/zinc/85/49/50/451854950.db2.gz CMSWFPMLMAWPQM-DZGCQCFKSA-N 2 1 325.403 1.588 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000642753710 451950580 /nfs/dbraw/zinc/95/05/80/451950580.db2.gz XYWADRCWCHXZLX-NJINODPHSA-N 2 1 338.496 1.100 20 0 EDADMP C[NH+]1CCC(CC(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC1 ZINC000644699940 451942332 /nfs/dbraw/zinc/94/23/32/451942332.db2.gz DUVJHLCWKLKMDY-SFHVURJKSA-N 2 1 331.460 1.924 20 0 EDADMP COC[C@@]1(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000649288750 451964640 /nfs/dbraw/zinc/96/46/40/451964640.db2.gz FEQPANHFFNDUOL-LJQANCHMSA-N 2 1 333.476 1.912 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC000649304981 451981345 /nfs/dbraw/zinc/98/13/45/451981345.db2.gz UCIKFMCZZWEURW-WMZOPIPTSA-N 2 1 341.459 1.012 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[C@H]1[NH3+] ZINC000647009924 452002705 /nfs/dbraw/zinc/00/27/05/452002705.db2.gz KUIBGPLGDCELAH-FGTMMUONSA-N 2 1 330.476 1.879 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649336685 452018288 /nfs/dbraw/zinc/01/82/88/452018288.db2.gz MPMZBYXFTGJDOJ-KBAYOESNSA-N 2 1 331.460 1.249 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC[C@@H]1C ZINC000653563319 452018320 /nfs/dbraw/zinc/01/83/20/452018320.db2.gz GOXIDBPJISHVHW-AZUAARDMSA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000653563319 452018325 /nfs/dbraw/zinc/01/83/25/452018325.db2.gz GOXIDBPJISHVHW-AZUAARDMSA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000653563319 452018331 /nfs/dbraw/zinc/01/83/31/452018331.db2.gz GOXIDBPJISHVHW-AZUAARDMSA-N 2 1 349.519 1.522 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682194 452020354 /nfs/dbraw/zinc/02/03/54/452020354.db2.gz MMDCGCKEVWPXCK-NVXWUHKLSA-N 2 1 332.448 1.277 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682194 452020357 /nfs/dbraw/zinc/02/03/57/452020357.db2.gz MMDCGCKEVWPXCK-NVXWUHKLSA-N 2 1 332.448 1.277 20 0 EDADMP COC[C@@]1(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000649344886 452026007 /nfs/dbraw/zinc/02/60/07/452026007.db2.gz WKMRVSMCGAVTPL-FXAWDEMLSA-N 2 1 345.487 1.878 20 0 EDADMP CCC[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC[N@H+]1CCOC ZINC000649379196 452052706 /nfs/dbraw/zinc/05/27/06/452052706.db2.gz QXGSCQAKNKWVHJ-SJORKVTESA-N 2 1 325.497 1.726 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643208888 452071457 /nfs/dbraw/zinc/07/14/57/452071457.db2.gz RPZVMEAEGUZLOJ-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643208888 452071460 /nfs/dbraw/zinc/07/14/60/452071460.db2.gz RPZVMEAEGUZLOJ-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@@H]1[NH3+] ZINC000649416774 452077719 /nfs/dbraw/zinc/07/77/19/452077719.db2.gz LPVWBEOKNCGMEQ-WBVHZDCISA-N 2 1 348.466 1.534 20 0 EDADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@@H]1[NH3+] ZINC000649416774 452077725 /nfs/dbraw/zinc/07/77/25/452077725.db2.gz LPVWBEOKNCGMEQ-WBVHZDCISA-N 2 1 348.466 1.534 20 0 EDADMP Cn1cc(-c2nc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cs2)cn1 ZINC000649419059 452082064 /nfs/dbraw/zinc/08/20/64/452082064.db2.gz CRLGINDMJPWLPU-HNNXBMFYSA-N 2 1 332.477 1.023 20 0 EDADMP Cn1cc(-c2nc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cs2)cn1 ZINC000649419059 452082067 /nfs/dbraw/zinc/08/20/67/452082067.db2.gz CRLGINDMJPWLPU-HNNXBMFYSA-N 2 1 332.477 1.023 20 0 EDADMP COc1ccccc1[C@H]([NH3+])CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000637803534 452090949 /nfs/dbraw/zinc/09/09/49/452090949.db2.gz DMJFDXHUHIFYTM-GOSISDBHSA-N 2 1 341.455 1.986 20 0 EDADMP Cn1cc(N2CCC[C@@H]([N@H+]3CCC4(C3)CC[NH+](C)CC4)C2=O)cn1 ZINC000639758629 452096080 /nfs/dbraw/zinc/09/60/80/452096080.db2.gz WSWJAMSJDIAGPM-MRXNPFEDSA-N 2 1 331.464 1.333 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1CN(c3ccccc3)CCO1)CCO2 ZINC000653776639 452110165 /nfs/dbraw/zinc/11/01/65/452110165.db2.gz ALLCEDPGRGNCNA-LJQANCHMSA-N 2 1 345.487 1.688 20 0 EDADMP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000639876330 452213948 /nfs/dbraw/zinc/21/39/48/452213948.db2.gz DIWWAXAXYDHJFQ-DLBZAZTESA-N 2 1 325.497 1.017 20 0 EDADMP c1nc(NC2CC2)cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)n1 ZINC000641717627 452215665 /nfs/dbraw/zinc/21/56/65/452215665.db2.gz DOVDIYRQPZIBLF-INIZCTEOSA-N 2 1 346.479 1.259 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000659440350 452289639 /nfs/dbraw/zinc/28/96/39/452289639.db2.gz NANDYOGCAVTPPH-LBPRGKRZSA-N 2 1 340.418 1.836 20 0 EDADMP C[C@@H](NC(=O)N(C)CCCC[NH+]1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000641815750 452297842 /nfs/dbraw/zinc/29/78/42/452297842.db2.gz HYJFGWNAXUKDEL-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H](NC(=O)N(C)CCCC[NH+]1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000641815750 452297851 /nfs/dbraw/zinc/29/78/51/452297851.db2.gz HYJFGWNAXUKDEL-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000639988168 452318908 /nfs/dbraw/zinc/31/89/08/452318908.db2.gz PFDGVCVIXWTNLQ-KRWDZBQOSA-N 2 1 325.497 1.020 20 0 EDADMP [NH3+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655514451 452323617 /nfs/dbraw/zinc/32/36/17/452323617.db2.gz QSJLETFLWUIBAV-ZIAGYGMSSA-N 2 1 329.366 1.904 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC([C@H](C)O)CC1 ZINC000665758275 452327180 /nfs/dbraw/zinc/32/71/80/452327180.db2.gz DKSKPUJLLVKLNQ-GJZGRUSLSA-N 2 1 328.501 1.061 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC([C@H](C)O)CC1 ZINC000665758275 452327184 /nfs/dbraw/zinc/32/71/84/452327184.db2.gz DKSKPUJLLVKLNQ-GJZGRUSLSA-N 2 1 328.501 1.061 20 0 EDADMP COC[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665763773 452349606 /nfs/dbraw/zinc/34/96/06/452349606.db2.gz LIDNCLJEGSCHCR-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP COC[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665763773 452349615 /nfs/dbraw/zinc/34/96/15/452349615.db2.gz LIDNCLJEGSCHCR-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638060568 452351406 /nfs/dbraw/zinc/35/14/06/452351406.db2.gz XJAJTKKNRZAKFS-QZTJIDSGSA-N 2 1 332.492 1.388 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000638071974 452381362 /nfs/dbraw/zinc/38/13/62/452381362.db2.gz JFBODRHDKURKQR-LEUOFYLZSA-N 2 1 331.460 1.662 20 0 EDADMP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000638075155 452385315 /nfs/dbraw/zinc/38/53/15/452385315.db2.gz GORAPTHDPJXPME-MJGOQNOKSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000654351215 452400489 /nfs/dbraw/zinc/40/04/89/452400489.db2.gz CWWFGCOPTWDUQZ-KURKYZTESA-N 2 1 330.476 1.900 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652238980 452425954 /nfs/dbraw/zinc/42/59/54/452425954.db2.gz XOPAIQJTTCLNPL-UHFFFAOYSA-N 2 1 326.485 1.115 20 0 EDADMP [NH3+][C@H](C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CCC1 ZINC000645475849 452447835 /nfs/dbraw/zinc/44/78/35/452447835.db2.gz IUPQOPFFQJGRTJ-KRWDZBQOSA-N 2 1 334.439 1.191 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[C@@H]1[NH3+] ZINC000659612450 452469036 /nfs/dbraw/zinc/46/90/36/452469036.db2.gz XBRSDHBRUNALMP-CAOSSQGBSA-N 2 1 336.480 1.009 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345610 452519595 /nfs/dbraw/zinc/51/95/95/452519595.db2.gz GPEYHKUSCAEVLR-RSJGLCBASA-N 2 1 337.508 1.900 20 0 EDADMP C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)[C@@H]1CC[NH3+] ZINC000652354384 452532352 /nfs/dbraw/zinc/53/23/52/452532352.db2.gz VWEGVOHOQOLFNN-BZUAXINKSA-N 2 1 347.459 1.392 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)[C@@H]1CC[NH3+] ZINC000652354384 452532360 /nfs/dbraw/zinc/53/23/60/452532360.db2.gz VWEGVOHOQOLFNN-BZUAXINKSA-N 2 1 347.459 1.392 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)NCc2cccs2)C1 ZINC000652361022 452542027 /nfs/dbraw/zinc/54/20/27/452542027.db2.gz WJZCITBJRKHCQY-FVQBIDKESA-N 2 1 337.489 1.725 20 0 EDADMP C[C@@H]1C[NH+](CCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000655730891 452543014 /nfs/dbraw/zinc/54/30/14/452543014.db2.gz VOMVVWKSRAXIEJ-ZHALLVOQSA-N 3 1 339.524 1.719 20 0 EDADMP Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)n(C)n1 ZINC000652362710 452544494 /nfs/dbraw/zinc/54/44/94/452544494.db2.gz NEWMOHLWCXEHNT-KFWWJZLASA-N 2 1 335.452 1.028 20 0 EDADMP Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)n(C)n1 ZINC000652362710 452544499 /nfs/dbraw/zinc/54/44/99/452544499.db2.gz NEWMOHLWCXEHNT-KFWWJZLASA-N 2 1 335.452 1.028 20 0 EDADMP FC(F)C(F)(F)COCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655760058 452561814 /nfs/dbraw/zinc/56/18/14/452561814.db2.gz WJVCFVKSOXFNNL-GFCCVEGCSA-N 2 1 328.350 1.746 20 0 EDADMP CCC[C@H](C)C(=O)NCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655770395 452569955 /nfs/dbraw/zinc/56/99/55/452569955.db2.gz JBCOIJZXZRLDTF-RDJZCZTQSA-N 2 1 325.497 1.772 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659698756 452583451 /nfs/dbraw/zinc/58/34/51/452583451.db2.gz KZEXAGIELVTXIQ-OAHLLOKOSA-N 2 1 338.496 1.145 20 0 EDADMP Cc1cc(CO)cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)[nH+]1 ZINC000647866564 452604225 /nfs/dbraw/zinc/60/42/25/452604225.db2.gz AFUGWWPYAOGDPN-UHFFFAOYSA-N 2 1 341.455 2.451 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654528594 452608359 /nfs/dbraw/zinc/60/83/59/452608359.db2.gz XOFVLLBVPXBVCY-IRXDYDNUSA-N 2 1 340.512 1.661 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000661981311 452733689 /nfs/dbraw/zinc/73/36/89/452733689.db2.gz PBTCTFWKUIQTTB-DOTOQJQBSA-N 2 1 338.496 1.271 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1C ZINC000661983252 452736852 /nfs/dbraw/zinc/73/68/52/452736852.db2.gz UAYIWFSLPUHNON-VYDXJSESSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969991 452750093 /nfs/dbraw/zinc/75/00/93/452750093.db2.gz PHNICMXUQAOQNQ-CAOSSQGBSA-N 2 1 326.485 1.316 20 0 EDADMP C[C@@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969991 452750101 /nfs/dbraw/zinc/75/01/01/452750101.db2.gz PHNICMXUQAOQNQ-CAOSSQGBSA-N 2 1 326.485 1.316 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970701 452751459 /nfs/dbraw/zinc/75/14/59/452751459.db2.gz KIVICGMHQISTGR-ZOFXXKQRSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970701 452751466 /nfs/dbraw/zinc/75/14/66/452751466.db2.gz KIVICGMHQISTGR-ZOFXXKQRSA-N 2 1 338.496 1.125 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000652691509 452839113 /nfs/dbraw/zinc/83/91/13/452839113.db2.gz VWQZAMMHFPCCMK-UHFFFAOYSA-N 2 1 346.475 1.013 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)C[C@@H]21 ZINC000662143396 452878862 /nfs/dbraw/zinc/87/88/62/452878862.db2.gz QOSKLBDWAVYTRX-SQNIBIBYSA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)C[C@@H]21 ZINC000662143396 452878868 /nfs/dbraw/zinc/87/88/68/452878868.db2.gz QOSKLBDWAVYTRX-SQNIBIBYSA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)C[C@@H]21 ZINC000662143396 452878876 /nfs/dbraw/zinc/87/88/76/452878876.db2.gz QOSKLBDWAVYTRX-SQNIBIBYSA-N 2 1 328.460 1.606 20 0 EDADMP C[N@H+]1CC[C@H]2OCCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)[C@@H]2C1 ZINC000648175714 452887238 /nfs/dbraw/zinc/88/72/38/452887238.db2.gz OMMHVJGBQIOKES-QZTJIDSGSA-N 2 1 343.471 1.239 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)C1 ZINC000659980127 452888527 /nfs/dbraw/zinc/88/85/27/452888527.db2.gz RFIUDUDFOSWTDT-XWTMOSNGSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1CO[C@@H](C)CN1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000664234119 452910070 /nfs/dbraw/zinc/91/00/70/452910070.db2.gz QLTWXDJIEOFQRZ-OZSLIKBDSA-N 2 1 338.496 1.410 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)c2C1 ZINC000658424979 452949046 /nfs/dbraw/zinc/94/90/46/452949046.db2.gz QDUNOEXKDMZDRD-AWEZNQCLSA-N 2 1 346.475 1.807 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)c2C1 ZINC000658424979 452949050 /nfs/dbraw/zinc/94/90/50/452949050.db2.gz QDUNOEXKDMZDRD-AWEZNQCLSA-N 2 1 346.475 1.807 20 0 EDADMP C[C@@H](C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C ZINC000652814180 452976058 /nfs/dbraw/zinc/97/60/58/452976058.db2.gz SYBTZIPPDOMLNT-CGTJXYLNSA-N 2 1 331.460 1.438 20 0 EDADMP COc1ccc(C)cc1CN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261274 452990761 /nfs/dbraw/zinc/99/07/61/452990761.db2.gz WCGYWKYQFQFXHI-SFHVURJKSA-N 2 1 345.487 1.642 20 0 EDADMP Fc1ccc(CN2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662261524 452991910 /nfs/dbraw/zinc/99/19/10/452991910.db2.gz ZLRPCXUAHPBSQC-SFHVURJKSA-N 2 1 333.451 1.854 20 0 EDADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000646002971 452998549 /nfs/dbraw/zinc/99/85/49/452998549.db2.gz LTMAIGYIMHHTMI-FUHWJXTLSA-N 2 1 330.476 1.233 20 0 EDADMP CCN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000658465581 452999878 /nfs/dbraw/zinc/99/98/78/452999878.db2.gz CJZKXOVOZNLWJL-KRWDZBQOSA-N 2 1 346.475 1.629 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000662275322 453001567 /nfs/dbraw/zinc/00/15/67/453001567.db2.gz AGWPQDSFYZTNSK-WBVHZDCISA-N 2 1 337.489 1.559 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000662275322 453001569 /nfs/dbraw/zinc/00/15/69/453001569.db2.gz AGWPQDSFYZTNSK-WBVHZDCISA-N 2 1 337.489 1.559 20 0 EDADMP COc1ccnc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1OC ZINC000662282790 453007360 /nfs/dbraw/zinc/00/73/60/453007360.db2.gz WJICZTGHKCEUIJ-YOEHRIQHSA-N 2 1 335.448 1.817 20 0 EDADMP COC1CCC(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000664334910 453010828 /nfs/dbraw/zinc/01/08/28/453010828.db2.gz PAHHRUSPDKUOEF-GTPINHCMSA-N 2 1 342.528 1.763 20 0 EDADMP COC1CCC(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000664334910 453010832 /nfs/dbraw/zinc/01/08/32/453010832.db2.gz PAHHRUSPDKUOEF-GTPINHCMSA-N 2 1 342.528 1.763 20 0 EDADMP O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000662310047 453029139 /nfs/dbraw/zinc/02/91/39/453029139.db2.gz GOTJUILLJMBLNX-WBVHZDCISA-N 2 1 337.489 1.892 20 0 EDADMP CN1CCC[C@H]([NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C1=O ZINC000662328090 453045419 /nfs/dbraw/zinc/04/54/19/453045419.db2.gz YISZHPWJZMUJJI-SFHVURJKSA-N 2 1 345.491 1.677 20 0 EDADMP CC(C)NC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328891 453047853 /nfs/dbraw/zinc/04/78/53/453047853.db2.gz WJEHEBRCCZQNCJ-UHFFFAOYSA-N 2 1 333.480 1.581 20 0 EDADMP CC(C)NC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328891 453047864 /nfs/dbraw/zinc/04/78/64/453047864.db2.gz WJEHEBRCCZQNCJ-UHFFFAOYSA-N 2 1 333.480 1.581 20 0 EDADMP Cc1cc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)no1 ZINC000662336505 453054238 /nfs/dbraw/zinc/05/42/38/453054238.db2.gz YLMMMLRPGDUAGZ-CQSZACIVSA-N 2 1 330.436 1.495 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)no1 ZINC000662336505 453054248 /nfs/dbraw/zinc/05/42/48/453054248.db2.gz YLMMMLRPGDUAGZ-CQSZACIVSA-N 2 1 330.436 1.495 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](C(=O)NCc2ccccc2)C1)C1CC1 ZINC000646057638 453066677 /nfs/dbraw/zinc/06/66/77/453066677.db2.gz IAHRBZVCLDSTQO-AEFFLSMTSA-N 2 1 331.460 1.080 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](C(=O)NCc2ccccc2)C1)C1CC1 ZINC000646057638 453066684 /nfs/dbraw/zinc/06/66/84/453066684.db2.gz IAHRBZVCLDSTQO-AEFFLSMTSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1)C1CC1 ZINC000646057638 453066692 /nfs/dbraw/zinc/06/66/92/453066692.db2.gz IAHRBZVCLDSTQO-AEFFLSMTSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1)C1CC1 ZINC000646057638 453066703 /nfs/dbraw/zinc/06/67/03/453066703.db2.gz IAHRBZVCLDSTQO-AEFFLSMTSA-N 2 1 331.460 1.080 20 0 EDADMP CO[C@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000660164434 453095831 /nfs/dbraw/zinc/09/58/31/453095831.db2.gz JDQHUKLIHBFNFT-GOSISDBHSA-N 2 1 340.508 1.741 20 0 EDADMP CC(C)[NH2+]CC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000662389119 453098495 /nfs/dbraw/zinc/09/84/95/453098495.db2.gz AGWYNLQIKITOGS-UHFFFAOYSA-N 2 1 346.519 1.699 20 0 EDADMP C[NH+](C)CCOc1ccc(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1 ZINC000662398476 453108254 /nfs/dbraw/zinc/10/82/54/453108254.db2.gz FPOOORULEZZHHX-CYBMUJFWSA-N 2 1 343.431 1.679 20 0 EDADMP [NH3+][C@H](C(=O)NC[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000662405798 453117310 /nfs/dbraw/zinc/11/73/10/453117310.db2.gz RQNNWLOOOHUPQP-GWCFXTLKSA-N 2 1 326.238 1.565 20 0 EDADMP C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H]3C[NH+](C)Cc4ccccc43)C2)C1 ZINC000644202215 453131056 /nfs/dbraw/zinc/13/10/56/453131056.db2.gz QPEGWFNBVMJQOK-HKUYNNGSSA-N 2 1 328.460 1.910 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)N[C@H]3C[NH+](C)Cc4ccccc43)C2)C1 ZINC000644202215 453131062 /nfs/dbraw/zinc/13/10/62/453131062.db2.gz QPEGWFNBVMJQOK-HKUYNNGSSA-N 2 1 328.460 1.910 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)C2)C1 ZINC000644202215 453131068 /nfs/dbraw/zinc/13/10/68/453131068.db2.gz QPEGWFNBVMJQOK-HKUYNNGSSA-N 2 1 328.460 1.910 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)C2)C1 ZINC000644202215 453131077 /nfs/dbraw/zinc/13/10/77/453131077.db2.gz QPEGWFNBVMJQOK-HKUYNNGSSA-N 2 1 328.460 1.910 20 0 EDADMP CC(C)[C@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)N1CC[NH+](C)CC1 ZINC000662479389 453192873 /nfs/dbraw/zinc/19/28/73/453192873.db2.gz HNPNYAUWABPRQP-MOPGFXCFSA-N 2 1 344.503 1.609 20 0 EDADMP C[NH+]1CCN(Cc2cn([C@H]3CC[N@@H+](Cc4ccccc4)C3)nn2)CC1 ZINC000656456251 453197872 /nfs/dbraw/zinc/19/78/72/453197872.db2.gz VONIFHBWKYOSOY-IBGZPJMESA-N 2 1 340.475 1.473 20 0 EDADMP NC(=O)c1ccccc1N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000656499021 453227932 /nfs/dbraw/zinc/22/79/32/453227932.db2.gz BAGYLSKMMJHTAS-OAHLLOKOSA-N 2 1 328.460 1.581 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000664648142 453284393 /nfs/dbraw/zinc/28/43/93/453284393.db2.gz POKBQYXDIFPOTJ-HNNXBMFYSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@@H]1C[N@@H+](CCN2CC[NH+](C3CCOCC3)C[C@H]2C)C[C@H](C)O1 ZINC000660431471 453303451 /nfs/dbraw/zinc/30/34/51/453303451.db2.gz ZJOIIXMTYQABGU-ZACQAIPSSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@@H]1C[N@H+](CCN2CC[NH+](C3CCOCC3)C[C@H]2C)C[C@H](C)O1 ZINC000660431471 453303460 /nfs/dbraw/zinc/30/34/60/453303460.db2.gz ZJOIIXMTYQABGU-ZACQAIPSSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@@H]1C[NH+](CCN2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@H](C)O1 ZINC000660431471 453303469 /nfs/dbraw/zinc/30/34/69/453303469.db2.gz ZJOIIXMTYQABGU-ZACQAIPSSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@@H]1C[NH+](CCN2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@H](C)O1 ZINC000660431471 453303475 /nfs/dbraw/zinc/30/34/75/453303475.db2.gz ZJOIIXMTYQABGU-ZACQAIPSSA-N 2 1 325.497 1.281 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)nc(C)[nH+]1 ZINC000653122885 453315221 /nfs/dbraw/zinc/31/52/21/453315221.db2.gz GQTCCDQYFGKRQI-IRXDYDNUSA-N 2 1 343.475 1.709 20 0 EDADMP Cc1c(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000662623004 453340894 /nfs/dbraw/zinc/34/08/94/453340894.db2.gz VXAXHFWGHQZZMN-CYBMUJFWSA-N 2 1 334.468 1.114 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646384620 453359038 /nfs/dbraw/zinc/35/90/38/453359038.db2.gz LQJCZSIWFZUJLO-ZNMIVQPWSA-N 2 1 331.464 1.338 20 0 EDADMP CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000662672662 453387896 /nfs/dbraw/zinc/38/78/96/453387896.db2.gz UQUHAHNICMLMKF-QGZVFWFLSA-N 2 1 331.460 1.523 20 0 EDADMP C[NH+](C)CCCOc1ccc(NC(=O)NCC(F)(F)C[NH3+])cc1 ZINC000667083167 453395000 /nfs/dbraw/zinc/39/50/00/453395000.db2.gz PFHRTTBLNXZLFZ-UHFFFAOYSA-N 2 1 330.379 1.733 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC4CC3(C[NH3+])C4)cc2F)CC1 ZINC000662679051 453398302 /nfs/dbraw/zinc/39/83/02/453398302.db2.gz MSOCWEMKUJUYBG-UHFFFAOYSA-N 2 1 346.450 1.531 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C)[NH+]1CCOCC1 ZINC000646482096 453426376 /nfs/dbraw/zinc/42/63/76/453426376.db2.gz RRBMPXWFUNUEFP-DJIMGWMZSA-N 2 1 325.497 1.674 20 0 EDADMP C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)[C@@H](Cc2ccccc2)C1 ZINC000653253891 453438263 /nfs/dbraw/zinc/43/82/63/453438263.db2.gz CWCVQGSWDBZYGZ-JKSUJKDBSA-N 2 1 337.414 1.617 20 0 EDADMP C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)[C@@H](Cc2ccccc2)C1 ZINC000653253891 453438269 /nfs/dbraw/zinc/43/82/69/453438269.db2.gz CWCVQGSWDBZYGZ-JKSUJKDBSA-N 2 1 337.414 1.617 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])c2)C[C@H](C)O1 ZINC000662738121 453463032 /nfs/dbraw/zinc/46/30/32/453463032.db2.gz GWOIPYWCTKQKTN-NONVJHHQSA-N 2 1 347.459 1.598 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])c2)C[C@H](C)O1 ZINC000662738121 453463038 /nfs/dbraw/zinc/46/30/38/453463038.db2.gz GWOIPYWCTKQKTN-NONVJHHQSA-N 2 1 347.459 1.598 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000662749858 453481874 /nfs/dbraw/zinc/48/18/74/453481874.db2.gz NDWJZZFVEVSOSP-RBSFLKMASA-N 2 1 333.432 1.132 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000662749858 453481879 /nfs/dbraw/zinc/48/18/79/453481879.db2.gz NDWJZZFVEVSOSP-RBSFLKMASA-N 2 1 333.432 1.132 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CC3([NH3+])CC3)cc2)CC1 ZINC000662753615 453489481 /nfs/dbraw/zinc/48/94/81/453489481.db2.gz SYBMQXDBOOXWLM-UHFFFAOYSA-N 2 1 344.459 1.213 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662793975 453529493 /nfs/dbraw/zinc/52/94/93/453529493.db2.gz LWSKEARBVVVWDT-HLLBOEOZSA-N 2 1 346.479 1.149 20 0 EDADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662819361 453550330 /nfs/dbraw/zinc/55/03/30/453550330.db2.gz DDUWSUIOYNKOFG-RQJHMYQMSA-N 2 1 332.267 1.969 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc(C)n1 ZINC000665164541 453597422 /nfs/dbraw/zinc/59/74/22/453597422.db2.gz ONICUXGBQGIPJT-INIZCTEOSA-N 3 1 335.496 1.770 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc(C)n1 ZINC000665164541 453597427 /nfs/dbraw/zinc/59/74/27/453597427.db2.gz ONICUXGBQGIPJT-INIZCTEOSA-N 3 1 335.496 1.770 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000660847049 453604249 /nfs/dbraw/zinc/60/42/49/453604249.db2.gz MMGYOFXIPJQSKK-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000660847049 453604253 /nfs/dbraw/zinc/60/42/53/453604253.db2.gz MMGYOFXIPJQSKK-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000660847049 453604257 /nfs/dbraw/zinc/60/42/57/453604257.db2.gz MMGYOFXIPJQSKK-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP O=C(NC1CC[NH+](CCC[NH+]2CCCCC2)CC1)N1CCOCC1 ZINC000660860164 453618787 /nfs/dbraw/zinc/61/87/87/453618787.db2.gz ZIHCPYQUYOFAPH-UHFFFAOYSA-N 2 1 338.496 1.369 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)cc2)C1 ZINC000665240001 453619977 /nfs/dbraw/zinc/61/99/77/453619977.db2.gz AFAZMCOLJQBYBE-AQNXPRMDSA-N 2 1 345.487 1.110 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000659091055 453625263 /nfs/dbraw/zinc/62/52/63/453625263.db2.gz MLSXQHXKSUUKIY-CQSZACIVSA-N 2 1 332.448 1.320 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291655 453638378 /nfs/dbraw/zinc/63/83/78/453638378.db2.gz HGKJMQLJQNBVBW-XJKSGUPXSA-N 2 1 327.432 1.251 20 0 EDADMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1-n1ccnn1 ZINC000665292685 453639743 /nfs/dbraw/zinc/63/97/43/453639743.db2.gz HLEKNISPEVVSIT-NSHDSACASA-N 2 1 325.376 1.072 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000661094328 453712088 /nfs/dbraw/zinc/71/20/88/453712088.db2.gz CUUZZHRYVKAPRR-HOTGVXAUSA-N 2 1 338.496 1.223 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000657295143 453759477 /nfs/dbraw/zinc/75/94/77/453759477.db2.gz ZEOBHFMUOVMHGJ-KURKYZTESA-N 2 1 331.460 1.516 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000657295143 453759480 /nfs/dbraw/zinc/75/94/80/453759480.db2.gz ZEOBHFMUOVMHGJ-KURKYZTESA-N 2 1 331.460 1.516 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663363085 453780062 /nfs/dbraw/zinc/78/00/62/453780062.db2.gz GXPOPDYPNFXAFV-ROUUACIJSA-N 2 1 334.460 1.578 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663363825 453780267 /nfs/dbraw/zinc/78/02/67/453780267.db2.gz NCOBTNWPMVFEAQ-WOJBJXKFSA-N 2 1 347.503 1.322 20 0 EDADMP CC[NH+](CC)CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663402336 453790262 /nfs/dbraw/zinc/79/02/62/453790262.db2.gz KPTVQJWDSPAQPQ-HZPDHXFCSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360589 453799968 /nfs/dbraw/zinc/79/99/68/453799968.db2.gz GMVYTQRILZFIAX-JONQDZQNSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360589 453799970 /nfs/dbraw/zinc/79/99/70/453799970.db2.gz GMVYTQRILZFIAX-JONQDZQNSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360589 453799971 /nfs/dbraw/zinc/79/99/71/453799971.db2.gz GMVYTQRILZFIAX-JONQDZQNSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360589 453799973 /nfs/dbraw/zinc/79/99/73/453799973.db2.gz GMVYTQRILZFIAX-JONQDZQNSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@H](CCNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000663486535 453807507 /nfs/dbraw/zinc/80/75/07/453807507.db2.gz JNKNAUMZYFFIGV-MRXNPFEDSA-N 2 1 348.491 1.658 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000679922808 486671942 /nfs/dbraw/zinc/67/19/42/486671942.db2.gz GLIHWDYFRMDBCO-RBUKOAKNSA-N 2 1 345.487 1.744 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000679922808 486671948 /nfs/dbraw/zinc/67/19/48/486671948.db2.gz GLIHWDYFRMDBCO-RBUKOAKNSA-N 2 1 345.487 1.744 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000679922808 486671949 /nfs/dbraw/zinc/67/19/49/486671949.db2.gz GLIHWDYFRMDBCO-RBUKOAKNSA-N 2 1 345.487 1.744 20 0 EDADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676304805 486728387 /nfs/dbraw/zinc/72/83/87/486728387.db2.gz MQYNYZRYJCPABL-DOTOQJQBSA-N 2 1 340.512 1.469 20 0 EDADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676304805 486728388 /nfs/dbraw/zinc/72/83/88/486728388.db2.gz MQYNYZRYJCPABL-DOTOQJQBSA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000676305724 486727820 /nfs/dbraw/zinc/72/78/20/486727820.db2.gz IREVALOESGMMMC-LVQVYYBASA-N 2 1 326.485 1.220 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000676305724 486727824 /nfs/dbraw/zinc/72/78/24/486727824.db2.gz IREVALOESGMMMC-LVQVYYBASA-N 2 1 326.485 1.220 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000676305724 486727831 /nfs/dbraw/zinc/72/78/31/486727831.db2.gz IREVALOESGMMMC-LVQVYYBASA-N 2 1 326.485 1.220 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000676305724 486727836 /nfs/dbraw/zinc/72/78/36/486727836.db2.gz IREVALOESGMMMC-LVQVYYBASA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CN(C)CCO1 ZINC000676332060 486737296 /nfs/dbraw/zinc/73/72/96/486737296.db2.gz AZRSBALYRHFBKO-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676332060 486737300 /nfs/dbraw/zinc/73/73/00/486737300.db2.gz AZRSBALYRHFBKO-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676332060 486737306 /nfs/dbraw/zinc/73/73/06/486737306.db2.gz AZRSBALYRHFBKO-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676332060 486737310 /nfs/dbraw/zinc/73/73/10/486737310.db2.gz AZRSBALYRHFBKO-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676332060 486737315 /nfs/dbraw/zinc/73/73/15/486737315.db2.gz AZRSBALYRHFBKO-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc3nc[nH]c3n2)CC1 ZINC000680427892 486773604 /nfs/dbraw/zinc/77/36/04/486773604.db2.gz YSRQMNNOQZZENC-UHFFFAOYSA-N 2 1 337.387 1.357 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](CO)[C@@H](C)c2ccccc2)CC1 ZINC000680993278 486914602 /nfs/dbraw/zinc/91/46/02/486914602.db2.gz QREVFWGEYFRORV-XYJFISCASA-N 2 1 333.476 1.293 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CCCCC1 ZINC000684163732 486963171 /nfs/dbraw/zinc/96/31/71/486963171.db2.gz NNIXKWSVTKKFQJ-QZTJIDSGSA-N 2 1 337.508 1.699 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000667805111 486973534 /nfs/dbraw/zinc/97/35/34/486973534.db2.gz YMHOMLLGNYATMT-PBHICJAKSA-N 2 1 331.464 1.702 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000681250466 486990352 /nfs/dbraw/zinc/99/03/52/486990352.db2.gz GTNBWEVPMUALHH-HOTGVXAUSA-N 2 1 325.497 1.866 20 0 EDADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3nc4c(s3)CCC4)C2)CC1 ZINC000667954402 487030518 /nfs/dbraw/zinc/03/05/18/487030518.db2.gz BKFMIURFDILJSZ-LBPRGKRZSA-N 2 1 334.489 1.530 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3nc4c(s3)CCC4)C2)CC1 ZINC000667954402 487030523 /nfs/dbraw/zinc/03/05/23/487030523.db2.gz BKFMIURFDILJSZ-LBPRGKRZSA-N 2 1 334.489 1.530 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCS(N)(=O)=O ZINC000681411645 487036068 /nfs/dbraw/zinc/03/60/68/487036068.db2.gz AIUAFFXGRYKIHU-GOEBONIOSA-N 2 1 325.478 1.165 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673530935 487050841 /nfs/dbraw/zinc/05/08/41/487050841.db2.gz MRDYQFGDZSYSNI-MOPGFXCFSA-N 2 1 345.487 1.472 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000673656381 487079076 /nfs/dbraw/zinc/07/90/76/487079076.db2.gz WAUQVLWDVULIFV-QZTJIDSGSA-N 2 1 328.460 1.743 20 0 EDADMP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000673656381 487079081 /nfs/dbraw/zinc/07/90/81/487079081.db2.gz WAUQVLWDVULIFV-QZTJIDSGSA-N 2 1 328.460 1.743 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673863363 487138464 /nfs/dbraw/zinc/13/84/64/487138464.db2.gz DSUDDWUZBOBNBZ-INIZCTEOSA-N 2 1 344.419 1.500 20 0 EDADMP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000674062366 487194165 /nfs/dbraw/zinc/19/41/65/487194165.db2.gz ODDHKRFYNDHJRV-HKUYNNGSSA-N 2 1 349.519 1.964 20 0 EDADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000674062366 487194168 /nfs/dbraw/zinc/19/41/68/487194168.db2.gz ODDHKRFYNDHJRV-HKUYNNGSSA-N 2 1 349.519 1.964 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000678276145 487279821 /nfs/dbraw/zinc/27/98/21/487279821.db2.gz YUWFHCKUDPCQBL-INIZCTEOSA-N 2 1 340.489 1.494 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000678276145 487279823 /nfs/dbraw/zinc/27/98/23/487279823.db2.gz YUWFHCKUDPCQBL-INIZCTEOSA-N 2 1 340.489 1.494 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000685560878 487295759 /nfs/dbraw/zinc/29/57/59/487295759.db2.gz AGZBTKGQHTUPDT-HXUWFJFHSA-N 2 1 331.504 1.958 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000685560878 487295763 /nfs/dbraw/zinc/29/57/63/487295763.db2.gz AGZBTKGQHTUPDT-HXUWFJFHSA-N 2 1 331.504 1.958 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000685560878 487295768 /nfs/dbraw/zinc/29/57/68/487295768.db2.gz AGZBTKGQHTUPDT-HXUWFJFHSA-N 2 1 331.504 1.958 20 0 EDADMP C[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000685607126 487302167 /nfs/dbraw/zinc/30/21/67/487302167.db2.gz ICYUIIDPVZZYMN-HOCLYGCPSA-N 2 1 346.475 1.647 20 0 EDADMP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]3CCCC3)ccc2NC1=O ZINC000678785355 487364052 /nfs/dbraw/zinc/36/40/52/487364052.db2.gz AIPIZKXLRHPSRW-UNEWFSDZSA-N 2 1 347.459 1.903 20 0 EDADMP Cn1cnc2cc(C[NH+]3CCN([C@H]4CCC[N@H+](C)C4)CC3)ccc21 ZINC000678827687 487368946 /nfs/dbraw/zinc/36/89/46/487368946.db2.gz SKMSOUCLROKSLU-KRWDZBQOSA-N 2 1 327.476 1.785 20 0 EDADMP Cn1cnc2cc(C[NH+]3CCN([C@H]4CCC[N@@H+](C)C4)CC3)ccc21 ZINC000678827687 487368948 /nfs/dbraw/zinc/36/89/48/487368948.db2.gz SKMSOUCLROKSLU-KRWDZBQOSA-N 2 1 327.476 1.785 20 0 EDADMP C[C@@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538392 485520121 /nfs/dbraw/zinc/52/01/21/485520121.db2.gz OOTGWUHVFYAPHE-ZBFHGGJFSA-N 2 1 326.485 1.317 20 0 EDADMP C[C@@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538392 485520126 /nfs/dbraw/zinc/52/01/26/485520126.db2.gz OOTGWUHVFYAPHE-ZBFHGGJFSA-N 2 1 326.485 1.317 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)NCC3C[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000669554124 485553754 /nfs/dbraw/zinc/55/37/54/485553754.db2.gz GBAQZVRGMWPAGH-ROUUACIJSA-N 2 1 344.459 1.492 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669561206 485568510 /nfs/dbraw/zinc/56/85/10/485568510.db2.gz YXUXEQIPVYTNGK-NJAFHUGGSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000669121648 485702832 /nfs/dbraw/zinc/70/28/32/485702832.db2.gz RQROPPIJKVBBGO-KFWWJZLASA-N 2 1 334.464 1.442 20 0 EDADMP CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCNC1=O ZINC000669621366 485837123 /nfs/dbraw/zinc/83/71/23/485837123.db2.gz IVGARYSWTUPESJ-GOSISDBHSA-N 2 1 331.460 1.872 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000668541061 485868955 /nfs/dbraw/zinc/86/89/55/485868955.db2.gz IOQKLSPXJRBWPN-YOEHRIQHSA-N 2 1 325.416 1.676 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000668542963 485872278 /nfs/dbraw/zinc/87/22/78/485872278.db2.gz TUADQAZGDSUOCQ-AEFFLSMTSA-N 2 1 331.460 1.728 20 0 EDADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000343714728 485937394 /nfs/dbraw/zinc/93/73/94/485937394.db2.gz BPOCDOKESZKGEL-KSZLIROESA-N 2 1 335.492 1.430 20 0 EDADMP C[C@H]([NH3+])CNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000669347618 485995438 /nfs/dbraw/zinc/99/54/38/485995438.db2.gz WJTYJILAHLLAJW-RDJZCZTQSA-N 2 1 333.480 1.012 20 0 EDADMP C[C@H]([NH3+])CNC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000669347618 485995443 /nfs/dbraw/zinc/99/54/43/485995443.db2.gz WJTYJILAHLLAJW-RDJZCZTQSA-N 2 1 333.480 1.012 20 0 EDADMP C[C@H]([NH3+])CNC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000669347618 485995450 /nfs/dbraw/zinc/99/54/50/485995450.db2.gz WJTYJILAHLLAJW-RDJZCZTQSA-N 2 1 333.480 1.012 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000669418544 486137878 /nfs/dbraw/zinc/13/78/78/486137878.db2.gz YWFMIOXXQAHYSQ-HHXXYDBFSA-N 2 1 342.487 1.827 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)NC[C@H]1C[NH2+]CCO1 ZINC000669420291 486139664 /nfs/dbraw/zinc/13/96/64/486139664.db2.gz IANVRNRIEUDHBJ-QZTJIDSGSA-N 2 1 346.475 1.186 20 0 EDADMP O=C(NCC[NH2+]C1CC1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000669420549 486141230 /nfs/dbraw/zinc/14/12/30/486141230.db2.gz PFSUKFUCZAPCLC-QGZVFWFLSA-N 2 1 330.476 1.950 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NCC1CC[NH2+]CC1 ZINC000669459224 486213330 /nfs/dbraw/zinc/21/33/30/486213330.db2.gz UOQDMJNXLLLNRB-LJQANCHMSA-N 2 1 344.503 1.850 20 0 EDADMP C[C@H](CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000669474139 486227980 /nfs/dbraw/zinc/22/79/80/486227980.db2.gz FECCWFBGHBNDHT-HLLBOEOZSA-N 2 1 334.464 1.265 20 0 EDADMP C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000128841741 491017764 /nfs/dbraw/zinc/01/77/64/491017764.db2.gz ZMHPDWGZWYCTKD-JYJNAYRXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000128841741 491017765 /nfs/dbraw/zinc/01/77/65/491017765.db2.gz ZMHPDWGZWYCTKD-JYJNAYRXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1CCCC[C@@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000128841741 491017766 /nfs/dbraw/zinc/01/77/66/491017766.db2.gz ZMHPDWGZWYCTKD-JYJNAYRXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1CCCC[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000128841741 491017767 /nfs/dbraw/zinc/01/77/67/491017767.db2.gz ZMHPDWGZWYCTKD-JYJNAYRXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000669007214 491184031 /nfs/dbraw/zinc/18/40/31/491184031.db2.gz IWTWTSZCWMFJLO-JZXOWHBKSA-N 2 1 338.496 1.271 20 0 EDADMP CSC[C@H](O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000187875338 533795467 /nfs/dbraw/zinc/79/54/67/533795467.db2.gz PSMFWIMPMGPFPD-GOSISDBHSA-N 2 1 337.533 1.460 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000187085292 528536265 /nfs/dbraw/zinc/53/62/65/528536265.db2.gz FKKRYDRHJDCHRC-INIZCTEOSA-N 2 1 340.443 1.042 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262945496 535051886 /nfs/dbraw/zinc/05/18/86/535051886.db2.gz ARCDRHKOIIYJMU-HFTRVMKXSA-N 2 1 346.475 1.038 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000236794400 535058930 /nfs/dbraw/zinc/05/89/30/535058930.db2.gz CWSJKWPBZXXFQF-SJORKVTESA-N 2 1 346.475 1.775 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H]3CCCC[C@@H]3C2)C1 ZINC000246471848 535116869 /nfs/dbraw/zinc/11/68/69/535116869.db2.gz WUIDNBTZQFHNIN-KZNAEPCWSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000332932030 535132486 /nfs/dbraw/zinc/13/24/86/535132486.db2.gz GWSOWYPPVUYFEF-CVEARBPZSA-N 2 1 333.480 1.723 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000332932030 535132489 /nfs/dbraw/zinc/13/24/89/535132489.db2.gz GWSOWYPPVUYFEF-CVEARBPZSA-N 2 1 333.480 1.723 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000078560404 535323098 /nfs/dbraw/zinc/32/30/98/535323098.db2.gz ALEPCXCUQFTWGK-SJORKVTESA-N 2 1 325.497 1.868 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000176272770 535330611 /nfs/dbraw/zinc/33/06/11/535330611.db2.gz OXXYPUFILBDQLK-MRXNPFEDSA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC3OCCO3)CC2)CC1 ZINC000124248739 535614150 /nfs/dbraw/zinc/61/41/50/535614150.db2.gz QESZXEMIBILFAC-UHFFFAOYSA-N 2 1 339.480 1.016 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262550083 535771827 /nfs/dbraw/zinc/77/18/27/535771827.db2.gz SWOBOOOQEJEBFJ-KURKYZTESA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+](C)CCCOc1ccc(CNC(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000264207066 535839617 /nfs/dbraw/zinc/83/96/17/535839617.db2.gz REXFSOVQEYXJRW-UHFFFAOYSA-N 2 1 348.491 1.864 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cn1 ZINC000333756020 536052167 /nfs/dbraw/zinc/05/21/67/536052167.db2.gz ZTKRBVAOKOIUOB-IAGOWNOFSA-N 2 1 348.495 1.390 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cn1 ZINC000333756020 536052172 /nfs/dbraw/zinc/05/21/72/536052172.db2.gz ZTKRBVAOKOIUOB-IAGOWNOFSA-N 2 1 348.495 1.390 20 0 EDADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)s1 ZINC000352756913 536056836 /nfs/dbraw/zinc/05/68/36/536056836.db2.gz SHKOPJWXLGFBPH-DGCLKSJQSA-N 2 1 346.522 1.012 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000348022927 536180227 /nfs/dbraw/zinc/18/02/27/536180227.db2.gz XYFGTDRARBHDPA-RCCFBDPRSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000348022927 536180231 /nfs/dbraw/zinc/18/02/31/536180231.db2.gz XYFGTDRARBHDPA-RCCFBDPRSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000348022927 536180235 /nfs/dbraw/zinc/18/02/35/536180235.db2.gz XYFGTDRARBHDPA-RCCFBDPRSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH2+][C@@H](C)Cc1noc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000261627606 536348748 /nfs/dbraw/zinc/34/87/48/536348748.db2.gz CGHHAWQUJJIIKC-HNNXBMFYSA-N 2 1 329.448 1.538 20 0 EDADMP C[N@H+](CCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000264899096 536381630 /nfs/dbraw/zinc/38/16/30/536381630.db2.gz UNVZXAZGDVNRTM-UHFFFAOYSA-N 2 1 346.475 1.412 20 0 EDADMP C[N@@H+](CCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000264899096 536381633 /nfs/dbraw/zinc/38/16/33/536381633.db2.gz UNVZXAZGDVNRTM-UHFFFAOYSA-N 2 1 346.475 1.412 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000245942302 536471126 /nfs/dbraw/zinc/47/11/26/536471126.db2.gz KAEWLVRSPUFJRX-FUHWJXTLSA-N 2 1 334.508 1.987 20 0 EDADMP COC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262203661 536666247 /nfs/dbraw/zinc/66/62/47/536666247.db2.gz DJPBDBNCKNAJIS-ZIAGYGMSSA-N 2 1 345.365 1.370 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])C2)cc(OC)c1 ZINC000248947151 536769429 /nfs/dbraw/zinc/76/94/29/536769429.db2.gz ASJIDLOOAZNWIZ-GUTXKFCHSA-N 2 1 335.448 1.378 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])C2)cc(OC)c1 ZINC000248947151 536769433 /nfs/dbraw/zinc/76/94/33/536769433.db2.gz ASJIDLOOAZNWIZ-GUTXKFCHSA-N 2 1 335.448 1.378 20 0 EDADMP COc1ccccc1C[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262243074 537057056 /nfs/dbraw/zinc/05/70/56/537057056.db2.gz WHLPDZAYHIGNLK-QGZVFWFLSA-N 2 1 331.460 1.524 20 0 EDADMP Cc1ccc(N2CCC[C@H]([N@H+](C)C[C@@H](O)C[NH+]3CCCC3)C2)nn1 ZINC000729929398 578602324 /nfs/dbraw/zinc/60/23/24/578602324.db2.gz UJQIJNZIPYDOPL-DLBZAZTESA-N 2 1 333.480 1.142 20 0 EDADMP Cc1ccc(N2CCC[C@H]([N@@H+](C)C[C@@H](O)C[NH+]3CCCC3)C2)nn1 ZINC000729929398 578602325 /nfs/dbraw/zinc/60/23/25/578602325.db2.gz UJQIJNZIPYDOPL-DLBZAZTESA-N 2 1 333.480 1.142 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCN2CCOCC2)C1 ZINC000732136751 578693109 /nfs/dbraw/zinc/69/31/09/578693109.db2.gz VEDAQNIFJUEMQD-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[NH+]2CCOCC2)C1 ZINC000732136751 578693111 /nfs/dbraw/zinc/69/31/11/578693111.db2.gz VEDAQNIFJUEMQD-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH+]2CCOCC2)C1 ZINC000732136751 578693112 /nfs/dbraw/zinc/69/31/12/578693112.db2.gz VEDAQNIFJUEMQD-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP CN(C(=O)/C=C/C1CCOCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732659988 578722346 /nfs/dbraw/zinc/72/23/46/578722346.db2.gz ANIXBLHVQLRTLI-OAJJDEHYSA-N 2 1 335.492 1.596 20 0 EDADMP CN(C(=O)/C=C/C1CCOCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732659988 578722348 /nfs/dbraw/zinc/72/23/48/578722348.db2.gz ANIXBLHVQLRTLI-OAJJDEHYSA-N 2 1 335.492 1.596 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000734277311 578804477 /nfs/dbraw/zinc/80/44/77/578804477.db2.gz UBVVRKALJBQYLE-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000739037005 579194730 /nfs/dbraw/zinc/19/47/30/579194730.db2.gz YBSLKZYACIANKM-SFHVURJKSA-N 2 1 348.491 1.610 20 0 EDADMP CN(C(=O)CCN1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746358063 579589362 /nfs/dbraw/zinc/58/93/62/579589362.db2.gz YMWYFJBMNPEHBW-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP CN(C(=O)CC[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746358063 579589364 /nfs/dbraw/zinc/58/93/64/579589364.db2.gz YMWYFJBMNPEHBW-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)n1 ZINC000747676426 579653474 /nfs/dbraw/zinc/65/34/74/579653474.db2.gz WJCVBYUYDOCHLN-IAGOWNOFSA-N 2 1 346.475 1.497 20 0 EDADMP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)n1 ZINC000747676426 579653475 /nfs/dbraw/zinc/65/34/75/579653475.db2.gz WJCVBYUYDOCHLN-IAGOWNOFSA-N 2 1 346.475 1.497 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1csc(C)n1 ZINC000750734720 579779023 /nfs/dbraw/zinc/77/90/23/579779023.db2.gz MIZQAULHARIGIE-INIZCTEOSA-N 2 1 338.521 1.869 20 0 EDADMP CC(C)[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000750865088 579784596 /nfs/dbraw/zinc/78/45/96/579784596.db2.gz PZMHSLXNRZOZKF-KRWDZBQOSA-N 2 1 325.497 1.581 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)CC[NH+]1CCOCC1 ZINC000750864705 579784640 /nfs/dbraw/zinc/78/46/40/579784640.db2.gz CACHFTRCDXRNTJ-UHFFFAOYSA-N 2 1 333.476 1.867 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000751329647 579801667 /nfs/dbraw/zinc/80/16/67/579801667.db2.gz SKXLESFOVVAUQG-UHFFFAOYSA-N 2 1 341.521 1.187 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000751386798 579803957 /nfs/dbraw/zinc/80/39/57/579803957.db2.gz VLFZDBBBYOTPKX-IBGZPJMESA-N 2 1 345.487 1.880 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000751386798 579803959 /nfs/dbraw/zinc/80/39/59/579803959.db2.gz VLFZDBBBYOTPKX-IBGZPJMESA-N 2 1 345.487 1.880 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H]2CC(C(=O)OC)=C(C)O2)C1 ZINC000778220356 580459004 /nfs/dbraw/zinc/45/90/04/580459004.db2.gz DVHZFYFDMBNBDB-JKSUJKDBSA-N 2 1 340.464 1.655 20 0 EDADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000764022991 580111607 /nfs/dbraw/zinc/11/16/07/580111607.db2.gz XZEUPURAWNQZJB-IBGZPJMESA-N 2 1 348.535 1.537 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CC(C)(C)CC(C)(C)C1)C2=O ZINC000767516309 580191725 /nfs/dbraw/zinc/19/17/25/580191725.db2.gz QVJFQGPRGRFZQP-UHFFFAOYSA-N 2 1 336.480 1.718 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=S)NC2CC[NH+](C)CC2)C1 ZINC000772802025 580320977 /nfs/dbraw/zinc/32/09/77/580320977.db2.gz YSCVRQABJOJQIV-HNNXBMFYSA-N 2 1 326.554 1.913 20 0 EDADMP CCOC(=O)[C@@]1(C)CC(=O)N(C[NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000774559109 580365620 /nfs/dbraw/zinc/36/56/20/580365620.db2.gz SEOBLDXGIWRMGK-KRWDZBQOSA-N 2 1 325.453 1.019 20 0 EDADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](C(=O)OC)CC1=O ZINC000782270088 580570215 /nfs/dbraw/zinc/57/02/15/580570215.db2.gz ODBKAYRHZXFVOH-KRWDZBQOSA-N 2 1 347.459 1.549 20 0 EDADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](C(=O)OC)CC1=O ZINC000782270088 580570216 /nfs/dbraw/zinc/57/02/16/580570216.db2.gz ODBKAYRHZXFVOH-KRWDZBQOSA-N 2 1 347.459 1.549 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000792915727 580830768 /nfs/dbraw/zinc/83/07/68/580830768.db2.gz VABOTUKLBMKZJK-GXTWGEPZSA-N 2 1 334.291 1.666 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000792915727 580830769 /nfs/dbraw/zinc/83/07/69/580830769.db2.gz VABOTUKLBMKZJK-GXTWGEPZSA-N 2 1 334.291 1.666 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000798001226 580986200 /nfs/dbraw/zinc/98/62/00/580986200.db2.gz JSZGXABAWSSRLU-ALOPSCKCSA-N 2 1 331.460 1.569 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000798001226 580986201 /nfs/dbraw/zinc/98/62/01/580986201.db2.gz JSZGXABAWSSRLU-ALOPSCKCSA-N 2 1 331.460 1.569 20 0 EDADMP COc1nccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1F ZINC000891833330 590644287 /nfs/dbraw/zinc/64/42/87/590644287.db2.gz HFUFXBQJRXUBBM-UHFFFAOYSA-N 2 1 338.427 1.119 20 0 EDADMP CC(C)([NH3+])CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000891855590 590657248 /nfs/dbraw/zinc/65/72/48/590657248.db2.gz KUZCRVQRQKTRHR-KRWDZBQOSA-N 2 1 348.491 1.704 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2)CCC(F)(F)F ZINC000891857235 590657839 /nfs/dbraw/zinc/65/78/39/590657839.db2.gz SPCGRQVSDMTRIM-JSGCOSHPSA-N 2 1 336.402 1.845 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891909879 590683805 /nfs/dbraw/zinc/68/38/05/590683805.db2.gz NWPXGSXFCODARQ-JKSUJKDBSA-N 2 1 340.512 1.565 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000891956390 590707094 /nfs/dbraw/zinc/70/70/94/590707094.db2.gz PVGDNZATUPJJHH-ROUUACIJSA-N 2 1 332.492 1.978 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000890883302 590830734 /nfs/dbraw/zinc/83/07/34/590830734.db2.gz QPJKTPCSYBIIMW-GOSISDBHSA-N 2 1 347.503 1.934 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000890883302 590830735 /nfs/dbraw/zinc/83/07/35/590830735.db2.gz QPJKTPCSYBIIMW-GOSISDBHSA-N 2 1 347.503 1.934 20 0 EDADMP COc1ccc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(C)c1 ZINC000892174912 590844640 /nfs/dbraw/zinc/84/46/40/590844640.db2.gz HPCAOHOKINQDOQ-GOSISDBHSA-N 2 1 331.460 1.742 20 0 EDADMP C[NH+]1CCC(C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)CC1 ZINC000892246020 590884474 /nfs/dbraw/zinc/88/44/74/590884474.db2.gz GNIHIUUCIAXRCG-UHFFFAOYSA-N 2 1 337.489 1.610 20 0 EDADMP [NH3+][C@H](CCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)Cc1ccccc1 ZINC000892407661 591014976 /nfs/dbraw/zinc/01/49/76/591014976.db2.gz BVWMQABREAODSA-MSOLQXFVSA-N 2 1 348.491 1.093 20 0 EDADMP O=C(NCc1cccc2c1CC[NH2+]C2)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000891363995 591061138 /nfs/dbraw/zinc/06/11/38/591061138.db2.gz OJSSYKBNMDCZBY-DLBZAZTESA-N 2 1 328.460 1.758 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N3CC4CC3(C[NH3+])C4)C2)cc1 ZINC000892530727 591061136 /nfs/dbraw/zinc/06/11/36/591061136.db2.gz WBTUYLCTIIKBTO-TVRKMHQQSA-N 2 1 328.460 1.702 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000892551710 591069032 /nfs/dbraw/zinc/06/90/32/591069032.db2.gz MRSOJXBWOMFTBX-NXHRZFHOSA-N 2 1 330.476 1.887 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891460623 591079459 /nfs/dbraw/zinc/07/94/59/591079459.db2.gz HQBNUNXUUQGHSS-KKUMJFAQSA-N 2 1 334.489 1.716 20 0 EDADMP CC(C)([NH3+])CCNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000891509762 591099000 /nfs/dbraw/zinc/09/90/00/591099000.db2.gz VVODLTFJMDFYEL-KRWDZBQOSA-N 2 1 332.492 1.978 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000891536060 591111409 /nfs/dbraw/zinc/11/14/09/591111409.db2.gz CBOZETMPDVYEGN-ROUUACIJSA-N 2 1 348.491 1.357 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)N3C[C@H]([NH3+])C[C@H]3C)CC2)oc1C ZINC000891543887 591117820 /nfs/dbraw/zinc/11/78/20/591117820.db2.gz OCUNIIAYHNYWPH-MLGOLLRUSA-N 2 1 349.479 1.635 20 0 EDADMP C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000891594656 591140533 /nfs/dbraw/zinc/14/05/33/591140533.db2.gz ZAGVLYRBUBFIHU-ATLSCFEFSA-N 2 1 346.475 1.407 20 0 EDADMP C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000891594656 591140534 /nfs/dbraw/zinc/14/05/34/591140534.db2.gz ZAGVLYRBUBFIHU-ATLSCFEFSA-N 2 1 346.475 1.407 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891643724 591165017 /nfs/dbraw/zinc/16/50/17/591165017.db2.gz IQQVMWGGDYNUHS-LAVFITLUSA-N 2 1 328.460 1.653 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2[C@H](C(=O)OC)C2(F)F)C1 ZINC000894073274 591185678 /nfs/dbraw/zinc/18/56/78/591185678.db2.gz URIUSUVBLWXOCS-HZSPNIEDSA-N 2 1 334.407 1.473 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1(F)F ZINC000894094253 591191205 /nfs/dbraw/zinc/19/12/05/591191205.db2.gz KLHDRMVYDUAXLG-MXAVVETBSA-N 2 1 328.403 1.989 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1(F)F ZINC000894094253 591191207 /nfs/dbraw/zinc/19/12/07/591191207.db2.gz KLHDRMVYDUAXLG-MXAVVETBSA-N 2 1 328.403 1.989 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1(F)F ZINC000894094253 591191211 /nfs/dbraw/zinc/19/12/11/591191211.db2.gz KLHDRMVYDUAXLG-MXAVVETBSA-N 2 1 328.403 1.989 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1(F)F ZINC000894094253 591191214 /nfs/dbraw/zinc/19/12/14/591191214.db2.gz KLHDRMVYDUAXLG-MXAVVETBSA-N 2 1 328.403 1.989 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+]2CCC(C)(C)C2)C[C@@H](C)O1 ZINC000891729304 591201648 /nfs/dbraw/zinc/20/16/48/591201648.db2.gz QUCBWOMUSKRGCD-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000891748673 591209307 /nfs/dbraw/zinc/20/93/07/591209307.db2.gz SBVAUAQSVGLQNU-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000891748673 591209311 /nfs/dbraw/zinc/20/93/11/591209311.db2.gz SBVAUAQSVGLQNU-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000891748673 591209314 /nfs/dbraw/zinc/20/93/14/591209314.db2.gz SBVAUAQSVGLQNU-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc(Br)nn1C ZINC000894164587 591213890 /nfs/dbraw/zinc/21/38/90/591213890.db2.gz IPLQTQKHALCFNW-SECBINFHSA-N 2 1 327.230 1.508 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)c1ccnc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000894251091 591247251 /nfs/dbraw/zinc/24/72/51/591247251.db2.gz GSTWHJLOYRIKDU-CVEARBPZSA-N 2 1 332.496 1.537 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)c1ccnc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000894251091 591247253 /nfs/dbraw/zinc/24/72/53/591247253.db2.gz GSTWHJLOYRIKDU-CVEARBPZSA-N 2 1 332.496 1.537 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)c1ccnc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000894251091 591247255 /nfs/dbraw/zinc/24/72/55/591247255.db2.gz GSTWHJLOYRIKDU-CVEARBPZSA-N 2 1 332.496 1.537 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000893028913 591259625 /nfs/dbraw/zinc/25/96/25/591259625.db2.gz BNAUVDJIMUZGLR-NCXUSEDFSA-N 2 1 334.460 1.405 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000893028913 591259627 /nfs/dbraw/zinc/25/96/27/591259627.db2.gz BNAUVDJIMUZGLR-NCXUSEDFSA-N 2 1 334.460 1.405 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC000895901480 591300720 /nfs/dbraw/zinc/30/07/20/591300720.db2.gz WGQQWSUTORYVMZ-MJGOQNOKSA-N 2 1 334.508 1.702 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000894517468 591331167 /nfs/dbraw/zinc/33/11/67/591331167.db2.gz YPWCRHWWFANINV-QYZOEREBSA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000894517468 591331170 /nfs/dbraw/zinc/33/11/70/591331170.db2.gz YPWCRHWWFANINV-QYZOEREBSA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000894517468 591331173 /nfs/dbraw/zinc/33/11/73/591331173.db2.gz YPWCRHWWFANINV-QYZOEREBSA-N 2 1 342.487 1.854 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CCCO1 ZINC000894567630 591347604 /nfs/dbraw/zinc/34/76/04/591347604.db2.gz WWTDWBXDRZDYHY-OAHLLOKOSA-N 2 1 341.496 1.944 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000896211891 591389205 /nfs/dbraw/zinc/38/92/05/591389205.db2.gz WLRDGMXSGNTZHZ-IPMKNSEASA-N 2 1 345.487 1.906 20 0 EDADMP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000896211891 591389207 /nfs/dbraw/zinc/38/92/07/591389207.db2.gz WLRDGMXSGNTZHZ-IPMKNSEASA-N 2 1 345.487 1.906 20 0 EDADMP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000896211891 591389209 /nfs/dbraw/zinc/38/92/09/591389209.db2.gz WLRDGMXSGNTZHZ-IPMKNSEASA-N 2 1 345.487 1.906 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)NCC[N@H+]3CC[C@H](C)C3)CC2)c1 ZINC000897433155 591412695 /nfs/dbraw/zinc/41/26/95/591412695.db2.gz QTFFPCXRUBATFI-HNNXBMFYSA-N 2 1 347.463 1.264 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000898585489 591423452 /nfs/dbraw/zinc/42/34/52/591423452.db2.gz ZQTFNOMEYKAJBX-WMLDXEAASA-N 2 1 346.475 1.249 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000898585489 591423455 /nfs/dbraw/zinc/42/34/55/591423455.db2.gz ZQTFNOMEYKAJBX-WMLDXEAASA-N 2 1 346.475 1.249 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898596306 591429611 /nfs/dbraw/zinc/42/96/11/591429611.db2.gz QUKNEOFYEBAKFN-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000897455832 591461528 /nfs/dbraw/zinc/46/15/28/591461528.db2.gz WEHNQNPRYJRUKZ-OAHLLOKOSA-N 2 1 347.463 1.264 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000897508764 591509715 /nfs/dbraw/zinc/50/97/15/591509715.db2.gz SCPGIYAZJBPVCI-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000897508764 591509719 /nfs/dbraw/zinc/50/97/19/591509719.db2.gz SCPGIYAZJBPVCI-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000897508764 591509723 /nfs/dbraw/zinc/50/97/23/591509723.db2.gz SCPGIYAZJBPVCI-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000897515124 591515362 /nfs/dbraw/zinc/51/53/62/591515362.db2.gz JMRZDVVPBZIEGV-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000897546074 591545176 /nfs/dbraw/zinc/54/51/76/591545176.db2.gz WWMYPSRTKAHUKE-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897546074 591545177 /nfs/dbraw/zinc/54/51/77/591545177.db2.gz WWMYPSRTKAHUKE-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)N[C@H]3CCC[NH+]4CCSC[C@@H]34)C[C@]2(C)C1 ZINC000896610951 591548105 /nfs/dbraw/zinc/54/81/05/591548105.db2.gz ZQHOSTLCGRKFLF-AESZEHBQSA-N 2 1 338.521 1.159 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)C[C@]2(C)C1 ZINC000896610951 591548106 /nfs/dbraw/zinc/54/81/06/591548106.db2.gz ZQHOSTLCGRKFLF-AESZEHBQSA-N 2 1 338.521 1.159 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@H]3CCC[N@H+]4CCSC[C@@H]34)C[C@]2(C)C1 ZINC000896610951 591548109 /nfs/dbraw/zinc/54/81/09/591548109.db2.gz ZQHOSTLCGRKFLF-AESZEHBQSA-N 2 1 338.521 1.159 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000896734070 591596989 /nfs/dbraw/zinc/59/69/89/591596989.db2.gz FORCAHVQXQTLMY-WMLDXEAASA-N 2 1 333.480 1.980 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000896734070 591596990 /nfs/dbraw/zinc/59/69/90/591596990.db2.gz FORCAHVQXQTLMY-WMLDXEAASA-N 2 1 333.480 1.980 20 0 EDADMP COc1cc(C[NH+](C)C)ccc1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000909474103 591619397 /nfs/dbraw/zinc/61/93/97/591619397.db2.gz CICFYRUMYHEUBR-SFHVURJKSA-N 2 1 335.448 1.542 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000897099840 591739205 /nfs/dbraw/zinc/73/92/05/591739205.db2.gz UGZJEIMZCQVSOO-BZSNNMDCSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000897099840 591739208 /nfs/dbraw/zinc/73/92/08/591739208.db2.gz UGZJEIMZCQVSOO-BZSNNMDCSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000897099840 591739211 /nfs/dbraw/zinc/73/92/11/591739211.db2.gz UGZJEIMZCQVSOO-BZSNNMDCSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897315277 591835078 /nfs/dbraw/zinc/83/50/78/591835078.db2.gz IHZLKIXHQZRSNQ-QAPCUYQASA-N 2 1 331.460 1.344 20 0 EDADMP COc1ccc([C@H](CNC(=O)Cc2cnc[nH]2)[NH+]2CCCC2)cc1 ZINC000899952828 591839330 /nfs/dbraw/zinc/83/93/30/591839330.db2.gz TYEWOZCPDMKLGZ-KRWDZBQOSA-N 2 1 328.416 1.914 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)CC[N@@H+]1C ZINC000898282334 591852467 /nfs/dbraw/zinc/85/24/67/591852467.db2.gz AVCSEPTXZPMENS-HIFRSBDPSA-N 2 1 325.478 1.655 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)CC[N@H+]1C ZINC000898282334 591852471 /nfs/dbraw/zinc/85/24/71/591852471.db2.gz AVCSEPTXZPMENS-HIFRSBDPSA-N 2 1 325.478 1.655 20 0 EDADMP O=c1[nH]ncc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1Cl ZINC000898366987 591892675 /nfs/dbraw/zinc/89/26/75/591892675.db2.gz JOVKPXWWEVZEKZ-AGIUHOORSA-N 2 1 337.855 1.631 20 0 EDADMP O=C1C[C@@H]([C@H]2CCCO2)CN1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000902140137 591920760 /nfs/dbraw/zinc/92/07/60/591920760.db2.gz VZZPSMIRTVMNGO-QZTJIDSGSA-N 2 1 335.492 1.779 20 0 EDADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900174085 591938469 /nfs/dbraw/zinc/93/84/69/591938469.db2.gz HDQGNPVTBKSFPJ-GOSISDBHSA-N 2 1 335.448 1.542 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900240381 591951917 /nfs/dbraw/zinc/95/19/17/591951917.db2.gz KGLYPEBISBLSQB-FPQWYMTMSA-N 2 1 335.492 1.620 20 0 EDADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)c1 ZINC000900251927 591960704 /nfs/dbraw/zinc/96/07/04/591960704.db2.gz NZEJUHKOBYHYAI-MJGOQNOKSA-N 2 1 333.476 1.600 20 0 EDADMP COc1cc2[nH+]c(N3CC[C@@H](C[NH3+])[C@H](C)C3)nc(N)c2cc1OC ZINC000900384452 592003066 /nfs/dbraw/zinc/00/30/66/592003066.db2.gz SPRAJBDFVHMKJO-MNOVXSKESA-N 2 1 331.420 1.650 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)OC1COC1 ZINC000902894805 592080691 /nfs/dbraw/zinc/08/06/91/592080691.db2.gz VZTRVXVUQPWYHX-UHFFFAOYSA-N 2 1 339.480 1.650 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000900858683 592149445 /nfs/dbraw/zinc/14/94/45/592149445.db2.gz UHJVUMDEDJUQRZ-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000900858683 592149446 /nfs/dbraw/zinc/14/94/46/592149446.db2.gz UHJVUMDEDJUQRZ-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000900858683 592149448 /nfs/dbraw/zinc/14/94/48/592149448.db2.gz UHJVUMDEDJUQRZ-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903439582 592169968 /nfs/dbraw/zinc/16/99/68/592169968.db2.gz LFRBINHZKWSITM-MCIONIFRSA-N 2 1 335.414 1.965 20 0 EDADMP FC(F)(F)[C@@H]1CC[C@@H](C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)O1 ZINC000903460131 592171755 /nfs/dbraw/zinc/17/17/55/592171755.db2.gz XVZOHTIVNNQBFQ-CRWXNKLISA-N 2 1 334.382 1.797 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)c1ccc(Cl)cc1 ZINC000900920764 592172462 /nfs/dbraw/zinc/17/24/62/592172462.db2.gz CHFFAVBKEYXPIV-INMHGKMJSA-N 2 1 339.867 1.514 20 0 EDADMP COC(=O)C[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903455501 592174058 /nfs/dbraw/zinc/17/40/58/592174058.db2.gz WZAMRJKHIBMSKG-HIFRSBDPSA-N 2 1 336.432 1.806 20 0 EDADMP COC(=O)C[N@H+](Cc1cc(OC)cc(OC)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903455501 592174059 /nfs/dbraw/zinc/17/40/59/592174059.db2.gz WZAMRJKHIBMSKG-HIFRSBDPSA-N 2 1 336.432 1.806 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1CC[NH3+] ZINC000903499111 592179636 /nfs/dbraw/zinc/17/96/36/592179636.db2.gz GGZJWNAITHAEMU-UKRRQHHQSA-N 2 1 325.478 1.354 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCCc2cccc3cccnc32)C[C@H]1CC[NH3+] ZINC000903500201 592180081 /nfs/dbraw/zinc/18/00/81/592180081.db2.gz VQLHYVSJKRTMRC-CRAIPNDOSA-N 2 1 340.471 1.810 20 0 EDADMP COC(=O)c1coc([C@H](C)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000903506789 592180649 /nfs/dbraw/zinc/18/06/49/592180649.db2.gz ZMCWEDGNIGAGPZ-AEGPPILISA-N 2 1 348.447 1.423 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000900973128 592182146 /nfs/dbraw/zinc/18/21/46/592182146.db2.gz FZYXCWAMSLFUCI-UIXUWTQFSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000900973128 592182147 /nfs/dbraw/zinc/18/21/47/592182147.db2.gz FZYXCWAMSLFUCI-UIXUWTQFSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000900973128 592182150 /nfs/dbraw/zinc/18/21/50/592182150.db2.gz FZYXCWAMSLFUCI-UIXUWTQFSA-N 2 1 345.487 1.611 20 0 EDADMP Cc1cc(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000900975518 592183292 /nfs/dbraw/zinc/18/32/92/592183292.db2.gz ODLXBKJOJCMLPR-SFHVURJKSA-N 2 1 349.479 1.244 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H](C)C(=O)Nc1ccccc1C)C2 ZINC000903492028 592184963 /nfs/dbraw/zinc/18/49/63/592184963.db2.gz IKIHVHJUDSJTHI-ZTENYAIWSA-N 2 1 345.443 1.534 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cccc3c1OCCO3)C2 ZINC000903492288 592185225 /nfs/dbraw/zinc/18/52/25/592185225.db2.gz AITMARUAKFOTOQ-IYOUNJFTSA-N 2 1 332.400 1.170 20 0 EDADMP COC(=O)[C@H](c1ccccc1C)[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493863 592186336 /nfs/dbraw/zinc/18/63/36/592186336.db2.gz YCTAZNZWZRDWDF-MVWRLGRASA-N 2 1 346.427 1.421 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C[C@@H](C)O1 ZINC000900981497 592188983 /nfs/dbraw/zinc/18/89/83/592188983.db2.gz SQVSBNBDZZEZKI-OAGGEKHMSA-N 2 1 325.497 1.865 20 0 EDADMP COCc1nc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cs1 ZINC000903525642 592197958 /nfs/dbraw/zinc/19/79/58/592197958.db2.gz NCVFZMBAKGNSKH-CJNGLKHVSA-N 2 1 338.477 1.026 20 0 EDADMP CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904339976 592234706 /nfs/dbraw/zinc/23/47/06/592234706.db2.gz BYTWHXMFKLINLV-XBXGTLAGSA-N 2 1 329.366 1.991 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906650175 592235022 /nfs/dbraw/zinc/23/50/22/592235022.db2.gz JMBPHKFKKXUDIO-INIZCTEOSA-N 2 1 346.475 1.810 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[N@H+]1C1CC1 ZINC000906656422 592238229 /nfs/dbraw/zinc/23/82/29/592238229.db2.gz GVXGRDLFSZIYQW-IUODEOHRSA-N 2 1 344.459 1.560 20 0 EDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)C1 ZINC000904381457 592247634 /nfs/dbraw/zinc/24/76/34/592247634.db2.gz PPMKWAVEACMYJD-VPCRRHSYSA-N 2 1 331.382 1.455 20 0 EDADMP Cc1ccnc(C2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000904473227 592268482 /nfs/dbraw/zinc/26/84/82/592268482.db2.gz PSBZCYQADVRKQW-MRXNPFEDSA-N 2 1 341.463 1.681 20 0 EDADMP CCCC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000903719061 592281584 /nfs/dbraw/zinc/28/15/84/592281584.db2.gz USKFNVDSKOCXDE-HRCADAONSA-N 2 1 330.494 1.044 20 0 EDADMP O=C(c1ccc(F)cc1)N1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903725270 592285120 /nfs/dbraw/zinc/28/51/20/592285120.db2.gz YMYRUIYVGKIBKI-MJGOQNOKSA-N 2 1 347.434 1.352 20 0 EDADMP O=C(C1CCCCC1)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903725264 592285196 /nfs/dbraw/zinc/28/51/96/592285196.db2.gz AKQJXBBZDSOPTI-GOSISDBHSA-N 2 1 349.519 1.870 20 0 EDADMP Cc1cc(CN2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)no1 ZINC000903732421 592287892 /nfs/dbraw/zinc/28/78/92/592287892.db2.gz DQOQWZZBTAYTQX-QGZVFWFLSA-N 2 1 334.464 1.259 20 0 EDADMP Cc1cc(CN2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)no1 ZINC000903732418 592288521 /nfs/dbraw/zinc/28/85/21/592288521.db2.gz DQOQWZZBTAYTQX-KRWDZBQOSA-N 2 1 334.464 1.259 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903713521 592291739 /nfs/dbraw/zinc/29/17/39/592291739.db2.gz ULTPLJBIGOLKIM-AGIUHOORSA-N 2 1 337.386 1.273 20 0 EDADMP c1ccc(C[NH+]2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903733551 592296650 /nfs/dbraw/zinc/29/66/50/592296650.db2.gz NQPGZZXONHUQIM-LJQANCHMSA-N 2 1 329.488 1.963 20 0 EDADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000903738981 592300121 /nfs/dbraw/zinc/30/01/21/592300121.db2.gz AJESJVRYDIMHGL-SOLBZPMBSA-N 2 1 331.464 1.146 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903740253 592301217 /nfs/dbraw/zinc/30/12/17/592301217.db2.gz FGNJBKLRKXOZFO-SQNIBIBYSA-N 3 1 325.497 1.188 20 0 EDADMP c1ccc2oc(N3CC[NH+](C[C@@H]4C[C@]5(CC[NH2+]C5)CO4)CC3)nc2c1 ZINC000903740025 592301408 /nfs/dbraw/zinc/30/14/08/592301408.db2.gz RUQSSWGQKFRWLZ-KXBFYZLASA-N 2 1 342.443 1.718 20 0 EDADMP Fc1ccc(F)c(N2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903739735 592301731 /nfs/dbraw/zinc/30/17/31/592301731.db2.gz OPNBWUKWHQTURL-QAPCUYQASA-N 2 1 337.414 1.855 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)c2C1 ZINC000906738177 592303750 /nfs/dbraw/zinc/30/37/50/592303750.db2.gz BWKMEURIOWSQQP-MQMHXKEQSA-N 2 1 330.432 1.204 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)c2C1 ZINC000906738177 592303753 /nfs/dbraw/zinc/30/37/53/592303753.db2.gz BWKMEURIOWSQQP-MQMHXKEQSA-N 2 1 330.432 1.204 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000901272563 592308557 /nfs/dbraw/zinc/30/85/57/592308557.db2.gz MIUMNSLLAOMKKC-YRXWBPOGSA-N 2 1 348.535 1.488 20 0 EDADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CCN2C(=O)NC3(CCCC3)C2=O)CCC1 ZINC000903815924 592324148 /nfs/dbraw/zinc/32/41/48/592324148.db2.gz VRCSMVAYOUYNSL-HNNXBMFYSA-N 2 1 348.491 1.835 20 0 EDADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCN2C(=O)NC3(CCCC3)C2=O)CCC1 ZINC000903815924 592324154 /nfs/dbraw/zinc/32/41/54/592324154.db2.gz VRCSMVAYOUYNSL-HNNXBMFYSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903819881 592333299 /nfs/dbraw/zinc/33/32/99/592333299.db2.gz PDZIWWHNPNVHGO-SFHVURJKSA-N 2 1 348.487 1.888 20 0 EDADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903819881 592333302 /nfs/dbraw/zinc/33/33/02/592333302.db2.gz PDZIWWHNPNVHGO-SFHVURJKSA-N 2 1 348.487 1.888 20 0 EDADMP CCOC(=O)N1CCC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903888777 592351068 /nfs/dbraw/zinc/35/10/68/592351068.db2.gz KXQMUWYBZKMGLF-HNNXBMFYSA-N 2 1 337.468 1.010 20 0 EDADMP CCOC(=O)N1CCC[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903888777 592351072 /nfs/dbraw/zinc/35/10/72/592351072.db2.gz KXQMUWYBZKMGLF-HNNXBMFYSA-N 2 1 337.468 1.010 20 0 EDADMP CC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1C[C@H](C)O ZINC000906827066 592355026 /nfs/dbraw/zinc/35/50/26/592355026.db2.gz QDKDNMXRLJSCFM-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)CCOc2ccc(F)cc2)cnn1C ZINC000903875771 592356396 /nfs/dbraw/zinc/35/63/96/592356396.db2.gz BHHBUOQQOZLYGM-HNNXBMFYSA-N 2 1 334.439 1.996 20 0 EDADMP CCc1nccn1[C@H]1CCC[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903892313 592361496 /nfs/dbraw/zinc/36/14/96/592361496.db2.gz HIZWVFLZLDLBFB-WMZOPIPTSA-N 2 1 344.507 1.942 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cnn1C ZINC000903897878 592368744 /nfs/dbraw/zinc/36/87/44/592368744.db2.gz KAWOHCBCUBXOHR-WMLDXEAASA-N 2 1 330.480 1.589 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(O)(C(F)(F)F)CC2)cnn1C ZINC000903902264 592370572 /nfs/dbraw/zinc/37/05/72/592370572.db2.gz FMNWKCKTHUNHOO-GFCCVEGCSA-N 2 1 334.386 1.235 20 0 EDADMP [NH3+]CCC[C@@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903918700 592376000 /nfs/dbraw/zinc/37/60/00/592376000.db2.gz FUBNCVRHSLIBQW-FUHWJXTLSA-N 2 1 328.464 1.772 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903917755 592390053 /nfs/dbraw/zinc/39/00/53/592390053.db2.gz NBONSBTVOIRXKQ-IXDOHACOSA-N 3 1 332.496 1.414 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H](C)C[NH+](C)C(C)C)C1 ZINC000908287540 592426667 /nfs/dbraw/zinc/42/66/67/592426667.db2.gz LODLHOJPSXBAPN-CABCVRRESA-N 2 1 327.469 1.106 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)C[NH+](C)C(C)C)C1 ZINC000908287540 592426670 /nfs/dbraw/zinc/42/66/70/592426670.db2.gz LODLHOJPSXBAPN-CABCVRRESA-N 2 1 327.469 1.106 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@H](C)C[N@H+](C)C(C)C)C1 ZINC000908287540 592426672 /nfs/dbraw/zinc/42/66/72/592426672.db2.gz LODLHOJPSXBAPN-CABCVRRESA-N 2 1 327.469 1.106 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000908287540 592426677 /nfs/dbraw/zinc/42/66/77/592426677.db2.gz LODLHOJPSXBAPN-CABCVRRESA-N 2 1 327.469 1.106 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1(O)CCC1 ZINC000905208493 592466019 /nfs/dbraw/zinc/46/60/19/592466019.db2.gz KPKUBRIXIWJGFL-INDMIFKZSA-N 2 1 330.472 1.763 20 0 EDADMP Cc1ccccc1CN1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000905270027 592488176 /nfs/dbraw/zinc/48/81/76/592488176.db2.gz VVBCLMLQORRLTC-UHFFFAOYSA-N 2 1 344.503 1.133 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000907110372 592511443 /nfs/dbraw/zinc/51/14/43/592511443.db2.gz WSHJGUBDOOZPSS-QGZVFWFLSA-N 2 1 339.524 1.925 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000907110372 592511445 /nfs/dbraw/zinc/51/14/45/592511445.db2.gz WSHJGUBDOOZPSS-QGZVFWFLSA-N 2 1 339.524 1.925 20 0 EDADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000905342084 592511977 /nfs/dbraw/zinc/51/19/77/592511977.db2.gz FEPFCCWIWBGJRN-RDJZCZTQSA-N 2 1 341.521 1.265 20 0 EDADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000905342082 592512007 /nfs/dbraw/zinc/51/20/07/592512007.db2.gz FEPFCCWIWBGJRN-DOTOQJQBSA-N 2 1 341.521 1.265 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)c1cccc(C)c1)C2 ZINC000905371131 592518214 /nfs/dbraw/zinc/51/82/14/592518214.db2.gz GKTUYRPARBATOF-APWZRJJASA-N 2 1 329.444 1.673 20 0 EDADMP OCC1(C[C@@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000905379756 592519741 /nfs/dbraw/zinc/51/97/41/592519741.db2.gz GODIVPARUHCRHG-DLBZAZTESA-N 2 1 326.481 1.133 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000905398679 592520470 /nfs/dbraw/zinc/52/04/70/592520470.db2.gz YFERVLNHRRMRCX-IRXDYDNUSA-N 2 1 325.497 1.581 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000905457373 592540446 /nfs/dbraw/zinc/54/04/46/592540446.db2.gz DQAXRVXZPZQXBQ-ZHALLVOQSA-N 2 1 347.503 1.762 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000905457373 592540448 /nfs/dbraw/zinc/54/04/48/592540448.db2.gz DQAXRVXZPZQXBQ-ZHALLVOQSA-N 2 1 347.503 1.762 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCC(=O)Nc1cccnc1)C2 ZINC000905500981 592545613 /nfs/dbraw/zinc/54/56/13/592545613.db2.gz DGHQDFOQXYKBOM-ZAWLATJESA-N 2 1 346.475 1.480 20 0 EDADMP CCn1ccnc1[C@@H](C)NC(=O)C1CCC(N2CCOCC2)CC1 ZINC000908669721 592570182 /nfs/dbraw/zinc/57/01/82/592570182.db2.gz PRBNXBUPSCMCRR-QQFBHYJXSA-N 2 1 334.464 1.971 20 0 EDADMP C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000907286457 592584641 /nfs/dbraw/zinc/58/46/41/592584641.db2.gz QLRQTWBYZRFIGU-CVEARBPZSA-N 2 1 336.524 1.249 20 0 EDADMP C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907286457 592584643 /nfs/dbraw/zinc/58/46/43/592584643.db2.gz QLRQTWBYZRFIGU-CVEARBPZSA-N 2 1 336.524 1.249 20 0 EDADMP C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000907286457 592584645 /nfs/dbraw/zinc/58/46/45/592584645.db2.gz QLRQTWBYZRFIGU-CVEARBPZSA-N 2 1 336.524 1.249 20 0 EDADMP O[C@@]1(CNCc2ccc3nonc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905667872 592602123 /nfs/dbraw/zinc/60/21/23/592602123.db2.gz FJGBYGZHCYZBRR-LJQANCHMSA-N 2 1 338.411 1.949 20 0 EDADMP Cc1nc(-c2ccccn2)nc(NCC[NH+]2CCC([NH3+])CC2)c1C ZINC000905704573 592616998 /nfs/dbraw/zinc/61/69/98/592616998.db2.gz KIRSBCNMQJDHDB-UHFFFAOYSA-N 2 1 326.448 1.990 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCc2cccnc2N2CCOCC2)C1 ZINC000905915692 592680813 /nfs/dbraw/zinc/68/08/13/592680813.db2.gz VFGHGNVQCGXZRR-QGZVFWFLSA-N 2 1 346.475 1.656 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000909022506 592715892 /nfs/dbraw/zinc/71/58/92/592715892.db2.gz OLSYBMJPFBYROW-HNNXBMFYSA-N 2 1 341.496 1.498 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000909022506 592715896 /nfs/dbraw/zinc/71/58/96/592715896.db2.gz OLSYBMJPFBYROW-HNNXBMFYSA-N 2 1 341.496 1.498 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000907690554 592758887 /nfs/dbraw/zinc/75/88/87/592758887.db2.gz ZUINPSIRIWKGQS-CVEARBPZSA-N 2 1 331.464 1.522 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000907690554 592758888 /nfs/dbraw/zinc/75/88/88/592758888.db2.gz ZUINPSIRIWKGQS-CVEARBPZSA-N 2 1 331.464 1.522 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000907862343 592819542 /nfs/dbraw/zinc/81/95/42/592819542.db2.gz RAMRLMVDZQWPEL-UYAOXDASSA-N 2 1 345.487 1.472 20 0 EDADMP Cc1cc(C)c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(C)n1 ZINC000906504516 592843132 /nfs/dbraw/zinc/84/31/32/592843132.db2.gz IMUQJLDYRDWCKX-INIZCTEOSA-N 2 1 346.475 1.679 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000906579744 592857493 /nfs/dbraw/zinc/85/74/93/592857493.db2.gz KRRAZIVXPUIZTF-INIZCTEOSA-N 2 1 346.475 1.861 20 0 EDADMP O[C@H](CN1CC[NH+](C/C=C/c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000906637096 592864168 /nfs/dbraw/zinc/86/41/68/592864168.db2.gz YZRRNRFLQRZZCY-ZGBFETHSSA-N 2 1 329.488 1.774 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC3(CCN3Cc3ccccc3)C2)C1 ZINC000910785679 592891879 /nfs/dbraw/zinc/89/18/79/592891879.db2.gz GISLKVFKBUMJCS-QGZVFWFLSA-N 2 1 329.444 1.194 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC3(CCN3Cc3ccccc3)C2)C1 ZINC000910785679 592891880 /nfs/dbraw/zinc/89/18/80/592891880.db2.gz GISLKVFKBUMJCS-QGZVFWFLSA-N 2 1 329.444 1.194 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911054942 592911405 /nfs/dbraw/zinc/91/14/05/592911405.db2.gz LMALPYPFXSWZTD-JKSUJKDBSA-N 2 1 338.496 1.016 20 0 EDADMP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000911666662 592974179 /nfs/dbraw/zinc/97/41/79/592974179.db2.gz ZWKVRWDMQDHPKT-XJKSGUPXSA-N 2 1 328.416 1.579 20 0 EDADMP CC1(C)[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C[C@@H]1[NH+]1CCOCC1 ZINC000911847374 593025609 /nfs/dbraw/zinc/02/56/09/593025609.db2.gz UXJXLTRGUGCHGU-TWMKSMIVSA-N 2 1 335.492 1.619 20 0 EDADMP CC1(C)[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C[C@@H]1[NH+]1CCOCC1 ZINC000911847374 593025612 /nfs/dbraw/zinc/02/56/12/593025612.db2.gz UXJXLTRGUGCHGU-TWMKSMIVSA-N 2 1 335.492 1.619 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccn3nccc23)CC1 ZINC000888378911 593039103 /nfs/dbraw/zinc/03/91/03/593039103.db2.gz DWKSNHNZIAKPBE-UHFFFAOYSA-N 2 1 336.399 1.733 20 0 EDADMP Cc1cnc(F)cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000888379334 593039302 /nfs/dbraw/zinc/03/93/02/593039302.db2.gz SEAZYJCFNRDALB-UHFFFAOYSA-N 2 1 329.379 1.928 20 0 EDADMP C[C@@H](C(=O)N(CCO)C1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000911938935 593039955 /nfs/dbraw/zinc/03/99/55/593039955.db2.gz NTPMMCBCFNSEMG-INIZCTEOSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H](C(=O)N(CCO)C1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000911938935 593039957 /nfs/dbraw/zinc/03/99/57/593039957.db2.gz NTPMMCBCFNSEMG-INIZCTEOSA-N 2 1 345.487 1.348 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000912167115 593067141 /nfs/dbraw/zinc/06/71/41/593067141.db2.gz SQVUIBONFNUVTE-GOSISDBHSA-N 2 1 345.491 1.830 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000912462831 593096704 /nfs/dbraw/zinc/09/67/04/593096704.db2.gz BMVCJKHEQKLISZ-GOSISDBHSA-N 2 1 327.472 1.858 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2nnc(C3CCC3)n2C)C1 ZINC000782949840 593131171 /nfs/dbraw/zinc/13/11/71/593131171.db2.gz NTUSAFBVNWOVGB-CYBMUJFWSA-N 2 1 336.440 1.190 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2nnc(C3CCC3)n2C)C1 ZINC000782949840 593131172 /nfs/dbraw/zinc/13/11/72/593131172.db2.gz NTUSAFBVNWOVGB-CYBMUJFWSA-N 2 1 336.440 1.190 20 0 EDADMP C[C@H]1CN(C(=S)NCC[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000840811074 593155742 /nfs/dbraw/zinc/15/57/42/593155742.db2.gz YNKQHVJVMIWCLM-MRXNPFEDSA-N 2 1 334.533 1.876 20 0 EDADMP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000838853109 593225494 /nfs/dbraw/zinc/22/54/94/593225494.db2.gz IVLBDEUHCUAWMO-IAGOWNOFSA-N 2 1 339.524 1.924 20 0 EDADMP CC(C)[NH+]1CCN(C2CC[NH+](CN3C(=O)CCC3(C)C)CC2)CC1 ZINC000808174084 593234184 /nfs/dbraw/zinc/23/41/84/593234184.db2.gz IFATWSQDBBSDKL-UHFFFAOYSA-N 2 1 336.524 1.835 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000809571881 593346818 /nfs/dbraw/zinc/34/68/18/593346818.db2.gz DIUJAHFRNVEEFD-HNNXBMFYSA-N 2 1 337.537 1.417 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)s1 ZINC000809571881 593346820 /nfs/dbraw/zinc/34/68/20/593346820.db2.gz DIUJAHFRNVEEFD-HNNXBMFYSA-N 2 1 337.537 1.417 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000810407510 593399557 /nfs/dbraw/zinc/39/95/57/593399557.db2.gz SWOYVVZGMMBFMB-QAPCUYQASA-N 2 1 346.475 1.514 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000810467917 593404060 /nfs/dbraw/zinc/40/40/60/593404060.db2.gz HFJLXEPVMRHYNX-GOSISDBHSA-N 2 1 341.471 1.522 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000810467917 593404062 /nfs/dbraw/zinc/40/40/62/593404062.db2.gz HFJLXEPVMRHYNX-GOSISDBHSA-N 2 1 341.471 1.522 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](COC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810671803 593421428 /nfs/dbraw/zinc/42/14/28/593421428.db2.gz ZMGKAFOPECAQTI-YOEHRIQHSA-N 2 1 330.444 1.851 20 0 EDADMP CC(C)[NH+]1CCO[C@H](COC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000810671803 593421430 /nfs/dbraw/zinc/42/14/30/593421430.db2.gz ZMGKAFOPECAQTI-YOEHRIQHSA-N 2 1 330.444 1.851 20 0 EDADMP CC(C)[NH+]1CCO[C@H](COC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000810671803 593421432 /nfs/dbraw/zinc/42/14/32/593421432.db2.gz ZMGKAFOPECAQTI-YOEHRIQHSA-N 2 1 330.444 1.851 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](COC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810671800 593421736 /nfs/dbraw/zinc/42/17/36/593421736.db2.gz ZMGKAFOPECAQTI-RHSMWYFYSA-N 2 1 330.444 1.851 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](COC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000810671800 593421737 /nfs/dbraw/zinc/42/17/37/593421737.db2.gz ZMGKAFOPECAQTI-RHSMWYFYSA-N 2 1 330.444 1.851 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](COC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000810671800 593421738 /nfs/dbraw/zinc/42/17/38/593421738.db2.gz ZMGKAFOPECAQTI-RHSMWYFYSA-N 2 1 330.444 1.851 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000811953351 593487315 /nfs/dbraw/zinc/48/73/15/593487315.db2.gz ABSRFHKVFUCPQP-WBVHZDCISA-N 2 1 340.512 1.658 20 0 EDADMP OC[C@]1(Cc2ccccc2)CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000812873946 593511846 /nfs/dbraw/zinc/51/18/46/593511846.db2.gz PPGUJGHXTOBOJT-UXHICEINSA-N 2 1 332.488 1.760 20 0 EDADMP OC[C@]1(Cc2ccccc2)CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000812873946 593511847 /nfs/dbraw/zinc/51/18/47/593511847.db2.gz PPGUJGHXTOBOJT-UXHICEINSA-N 2 1 332.488 1.760 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NO[C@H]3CCCCO3)CC2)CC1 ZINC000816913460 593557657 /nfs/dbraw/zinc/55/76/57/593557657.db2.gz JPBJFPGFTSXLMW-KRWDZBQOSA-N 2 1 339.480 1.757 20 0 EDADMP C[C@H](N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000817980928 593653403 /nfs/dbraw/zinc/65/34/03/593653403.db2.gz NVHFINCFIWLWEF-XIRDDKMYSA-N 2 1 339.430 1.863 20 0 EDADMP C[C@H](N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000817980928 593653404 /nfs/dbraw/zinc/65/34/04/593653404.db2.gz NVHFINCFIWLWEF-XIRDDKMYSA-N 2 1 339.430 1.863 20 0 EDADMP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cn1 ZINC000818941053 593729116 /nfs/dbraw/zinc/72/91/16/593729116.db2.gz BXNZMZRHTQPBOW-LJQANCHMSA-N 2 1 345.418 1.876 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000818960376 593730442 /nfs/dbraw/zinc/73/04/42/593730442.db2.gz YRPQILLIZOGNNM-ZNMIVQPWSA-N 2 1 327.469 1.479 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000818960376 593730443 /nfs/dbraw/zinc/73/04/43/593730443.db2.gz YRPQILLIZOGNNM-ZNMIVQPWSA-N 2 1 327.469 1.479 20 0 EDADMP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673346 593830299 /nfs/dbraw/zinc/83/02/99/593830299.db2.gz LDUXENFZMMCSOY-RHSMWYFYSA-N 2 1 342.447 1.318 20 0 EDADMP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673346 593830301 /nfs/dbraw/zinc/83/03/01/593830301.db2.gz LDUXENFZMMCSOY-RHSMWYFYSA-N 2 1 342.447 1.318 20 0 EDADMP C[NH+](C)C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821583211 593869291 /nfs/dbraw/zinc/86/92/91/593869291.db2.gz MKOTUOXVLZBYOQ-UHFFFAOYSA-N 2 1 343.435 1.221 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625135 593886382 /nfs/dbraw/zinc/88/63/82/593886382.db2.gz GKBQJVWAWLJCOD-BBRMVZONSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625135 593886384 /nfs/dbraw/zinc/88/63/84/593886384.db2.gz GKBQJVWAWLJCOD-BBRMVZONSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625135 593886386 /nfs/dbraw/zinc/88/63/86/593886386.db2.gz GKBQJVWAWLJCOD-BBRMVZONSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625135 593886388 /nfs/dbraw/zinc/88/63/88/593886388.db2.gz GKBQJVWAWLJCOD-BBRMVZONSA-N 2 1 330.411 1.922 20 0 EDADMP CC(C)[C@@H](c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1)[C@@H](C)[NH3+] ZINC000822913974 594121395 /nfs/dbraw/zinc/12/13/95/594121395.db2.gz AWGYUSNBQDSRQS-CZUORRHYSA-N 2 1 344.463 1.970 20 0 EDADMP Cc1ccc(N2CCC(c3nc(N4CC[NH2+]CC4)no3)CC2)[nH+]c1 ZINC000823309420 594183533 /nfs/dbraw/zinc/18/35/33/594183533.db2.gz GHSPSFSELYPFJP-UHFFFAOYSA-N 2 1 328.420 1.567 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1-c1nn[nH]n1 ZINC000826194830 594372281 /nfs/dbraw/zinc/37/22/81/594372281.db2.gz XOYZJDDAYSUIKP-HOCLYGCPSA-N 2 1 342.447 1.791 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1-c1nn[nH]n1 ZINC000826194830 594372285 /nfs/dbraw/zinc/37/22/85/594372285.db2.gz XOYZJDDAYSUIKP-HOCLYGCPSA-N 2 1 342.447 1.791 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1-c1nn[nH]n1 ZINC000826194830 594372287 /nfs/dbraw/zinc/37/22/87/594372287.db2.gz XOYZJDDAYSUIKP-HOCLYGCPSA-N 2 1 342.447 1.791 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H]1C ZINC000826629513 594543162 /nfs/dbraw/zinc/54/31/62/594543162.db2.gz UZBXQOCUCZKKSU-YVSFHVDLSA-N 2 1 340.512 1.610 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)[C@@]3(F)CC[NH2+]C3)CCCCC2)CCO1 ZINC000829017256 594549668 /nfs/dbraw/zinc/54/96/68/594549668.db2.gz WKRSSAISGJWKSI-GOSISDBHSA-N 2 1 341.471 1.618 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCCCCCC[NH3+])N1CC[NH+](C)CC1 ZINC000831099480 594556477 /nfs/dbraw/zinc/55/64/77/594556477.db2.gz IVHVGBILFJTYPO-MRXNPFEDSA-N 2 1 327.517 1.077 20 0 EDADMP [NH3+]CCCCCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000831146036 594568726 /nfs/dbraw/zinc/56/87/26/594568726.db2.gz BKQTVTNCNHBARE-GOSISDBHSA-N 2 1 348.491 1.572 20 0 EDADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000829584249 594645087 /nfs/dbraw/zinc/64/50/87/594645087.db2.gz XGCPJUVORRDYOW-SFHVURJKSA-N 2 1 336.524 1.203 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000833574382 594877519 /nfs/dbraw/zinc/87/75/19/594877519.db2.gz CUCDQMKLQPNXAZ-RHSMWYFYSA-N 2 1 329.460 1.162 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000833574382 594877521 /nfs/dbraw/zinc/87/75/21/594877521.db2.gz CUCDQMKLQPNXAZ-RHSMWYFYSA-N 2 1 329.460 1.162 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000833574382 594877523 /nfs/dbraw/zinc/87/75/23/594877523.db2.gz CUCDQMKLQPNXAZ-RHSMWYFYSA-N 2 1 329.460 1.162 20 0 EDADMP C[C@@H](CNC(=O)Nc1cccc(OCC[NH3+])c1)C[NH+]1CCOCC1 ZINC000841288446 594881875 /nfs/dbraw/zinc/88/18/75/594881875.db2.gz WMTDRBFAGPGDKQ-AWEZNQCLSA-N 2 1 336.436 1.114 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000841727536 594944199 /nfs/dbraw/zinc/94/41/99/594944199.db2.gz UNKGNJZXOKPERU-ZBFHGGJFSA-N 2 1 342.447 1.892 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000841790497 594953456 /nfs/dbraw/zinc/95/34/56/594953456.db2.gz YIPDEHFSPLHLME-HZPDHXFCSA-N 2 1 336.480 1.025 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2ccc(CC[NH3+])cc2)CC[N@H+]1CC(C)(C)O ZINC000841927313 594983196 /nfs/dbraw/zinc/98/31/96/594983196.db2.gz IUHZZJABIZTTKK-OAHLLOKOSA-N 2 1 348.491 1.174 20 0 EDADMP CCc1ccc2c(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1 ZINC000843385166 595095743 /nfs/dbraw/zinc/09/57/43/595095743.db2.gz BSVJMVSAIOGNQR-KRWDZBQOSA-N 2 1 341.455 1.835 20 0 EDADMP CCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000842478188 595115802 /nfs/dbraw/zinc/11/58/02/595115802.db2.gz GWMKTQGBFZQCPD-ZBFHGGJFSA-N 2 1 336.484 1.459 20 0 EDADMP CCCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000842478188 595115803 /nfs/dbraw/zinc/11/58/03/595115803.db2.gz GWMKTQGBFZQCPD-ZBFHGGJFSA-N 2 1 336.484 1.459 20 0 EDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000846220869 595177368 /nfs/dbraw/zinc/17/73/68/595177368.db2.gz WWLCUCFOOWKFLZ-ZXFUBFMLSA-N 2 1 349.500 1.972 20 0 EDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000846220869 595177372 /nfs/dbraw/zinc/17/73/72/595177372.db2.gz WWLCUCFOOWKFLZ-ZXFUBFMLSA-N 2 1 349.500 1.972 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CC2(Br)CC2)CC1 ZINC000846842538 595325269 /nfs/dbraw/zinc/32/52/69/595325269.db2.gz UOONGRWTWGCHHS-UHFFFAOYSA-N 2 1 333.270 1.073 20 0 EDADMP C[NH+](C)CCOc1cc(-c2noc([C@H]([NH3+])CC(F)F)n2)ccn1 ZINC000843192121 595302546 /nfs/dbraw/zinc/30/25/46/595302546.db2.gz RAASKGXMYQPAHJ-SNVBAGLBSA-N 2 1 327.335 1.727 20 0 EDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808615 595319658 /nfs/dbraw/zinc/31/96/58/595319658.db2.gz ZGTGZGYMRFPVOT-YJBOKZPZSA-N 2 1 341.496 1.632 20 0 EDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808615 595319660 /nfs/dbraw/zinc/31/96/60/595319660.db2.gz ZGTGZGYMRFPVOT-YJBOKZPZSA-N 2 1 341.496 1.632 20 0 EDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808615 595319661 /nfs/dbraw/zinc/31/96/61/595319661.db2.gz ZGTGZGYMRFPVOT-YJBOKZPZSA-N 2 1 341.496 1.632 20 0 EDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808613 595319874 /nfs/dbraw/zinc/31/98/74/595319874.db2.gz ZGTGZGYMRFPVOT-QAPCUYQASA-N 2 1 341.496 1.632 20 0 EDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808613 595319877 /nfs/dbraw/zinc/31/98/77/595319877.db2.gz ZGTGZGYMRFPVOT-QAPCUYQASA-N 2 1 341.496 1.632 20 0 EDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808613 595319880 /nfs/dbraw/zinc/31/98/80/595319880.db2.gz ZGTGZGYMRFPVOT-QAPCUYQASA-N 2 1 341.496 1.632 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)[C@@H](C)C1 ZINC000844316702 595322774 /nfs/dbraw/zinc/32/27/74/595322774.db2.gz HICIDIJNCDPWOZ-UAGQMJEPSA-N 2 1 339.480 1.696 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000846961413 595343079 /nfs/dbraw/zinc/34/30/79/595343079.db2.gz WNEWTIGLNMBTDB-STQMWFEESA-N 2 1 344.381 1.695 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000846961413 595343083 /nfs/dbraw/zinc/34/30/83/595343083.db2.gz WNEWTIGLNMBTDB-STQMWFEESA-N 2 1 344.381 1.695 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000847451259 595422305 /nfs/dbraw/zinc/42/23/05/595422305.db2.gz CKQSULWRXHXIDG-SFHVURJKSA-N 2 1 333.476 1.631 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCNC(=O)c1ccccc1 ZINC000849074152 595478272 /nfs/dbraw/zinc/47/82/72/595478272.db2.gz BBFPPWMGCKKFEJ-MRXNPFEDSA-N 2 1 331.464 1.405 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCc2ccccc2C1 ZINC000849075855 595478282 /nfs/dbraw/zinc/47/82/82/595478282.db2.gz UGTMHYGXJLQCRG-MRXNPFEDSA-N 2 1 330.476 1.628 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000849276336 595499816 /nfs/dbraw/zinc/49/98/16/595499816.db2.gz HNTFFSREJPSNPU-HOTGVXAUSA-N 2 1 343.585 1.207 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000849276336 595499818 /nfs/dbraw/zinc/49/98/18/595499818.db2.gz HNTFFSREJPSNPU-HOTGVXAUSA-N 3 1 343.585 1.207 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000849276336 595499821 /nfs/dbraw/zinc/49/98/21/595499821.db2.gz HNTFFSREJPSNPU-HOTGVXAUSA-N 3 1 343.585 1.207 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000849276336 595499824 /nfs/dbraw/zinc/49/98/24/595499824.db2.gz HNTFFSREJPSNPU-HOTGVXAUSA-N 3 1 343.585 1.207 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000849276336 595499827 /nfs/dbraw/zinc/49/98/27/595499827.db2.gz HNTFFSREJPSNPU-HOTGVXAUSA-N 3 1 343.585 1.207 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849486332 595547500 /nfs/dbraw/zinc/54/75/00/595547500.db2.gz GMVNWYXRAILDIK-MSOLQXFVSA-N 2 1 347.507 1.444 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849572002 595575029 /nfs/dbraw/zinc/57/50/29/595575029.db2.gz MQLDIJRPHXWPGY-MUIFIZLQSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849572002 595575034 /nfs/dbraw/zinc/57/50/34/595575034.db2.gz MQLDIJRPHXWPGY-MUIFIZLQSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849572002 595575038 /nfs/dbraw/zinc/57/50/38/595575038.db2.gz MQLDIJRPHXWPGY-MUIFIZLQSA-N 2 1 333.480 1.006 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC[NH+](C)CC2(C)C)cn1 ZINC000849574111 595576726 /nfs/dbraw/zinc/57/67/26/595576726.db2.gz WHJJZTFTBFBNDC-CVEARBPZSA-N 2 1 333.480 1.008 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@H]2C(=O)N2CC[N@H+](C)CC2(C)C)cn1 ZINC000849574111 595576730 /nfs/dbraw/zinc/57/67/30/595576730.db2.gz WHJJZTFTBFBNDC-CVEARBPZSA-N 2 1 333.480 1.008 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@H]2C(=O)N2CC[N@@H+](C)CC2(C)C)cn1 ZINC000849574111 595576735 /nfs/dbraw/zinc/57/67/35/595576735.db2.gz WHJJZTFTBFBNDC-CVEARBPZSA-N 2 1 333.480 1.008 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852858213 595580131 /nfs/dbraw/zinc/58/01/31/595580131.db2.gz UQVUQLKPWUSJRS-MRXNPFEDSA-N 2 1 330.432 1.133 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849614560 595597405 /nfs/dbraw/zinc/59/74/05/595597405.db2.gz ZSUQGMHMLPAWDE-DJIMGWMZSA-N 2 1 333.480 1.056 20 0 EDADMP C[C@@H]1CCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849614560 595597411 /nfs/dbraw/zinc/59/74/11/595597411.db2.gz ZSUQGMHMLPAWDE-DJIMGWMZSA-N 2 1 333.480 1.056 20 0 EDADMP C[C@@H]1CCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849614560 595597413 /nfs/dbraw/zinc/59/74/13/595597413.db2.gz ZSUQGMHMLPAWDE-DJIMGWMZSA-N 2 1 333.480 1.056 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852918720 595614720 /nfs/dbraw/zinc/61/47/20/595614720.db2.gz FWNMWBUDOHSOTJ-LJQANCHMSA-N 2 1 342.487 1.229 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000855345918 595680595 /nfs/dbraw/zinc/68/05/95/595680595.db2.gz KHDAZCKCBMSMBB-WMLDXEAASA-N 2 1 347.459 1.156 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000855345918 595680598 /nfs/dbraw/zinc/68/05/98/595680598.db2.gz KHDAZCKCBMSMBB-WMLDXEAASA-N 2 1 347.459 1.156 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCOC(F)F)CC2)CC1 ZINC000851764487 595914242 /nfs/dbraw/zinc/91/42/42/595914242.db2.gz JBSZEEGBZUULQO-UHFFFAOYSA-N 2 1 333.423 1.492 20 0 EDADMP CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000851860686 595951710 /nfs/dbraw/zinc/95/17/10/595951710.db2.gz KKSVQRMRCDTRAN-ZDUSSCGKSA-N 2 1 346.368 1.127 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000861590647 596039501 /nfs/dbraw/zinc/03/95/01/596039501.db2.gz AXDUVBKAKXAORR-YQQAZPJKSA-N 2 1 334.464 1.265 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000861590647 596039504 /nfs/dbraw/zinc/03/95/04/596039504.db2.gz AXDUVBKAKXAORR-YQQAZPJKSA-N 2 1 334.464 1.265 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856633501 596040268 /nfs/dbraw/zinc/04/02/68/596040268.db2.gz XYQFYDJXEWVTDN-GOSISDBHSA-N 2 1 348.491 1.855 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000854567849 596120295 /nfs/dbraw/zinc/12/02/95/596120295.db2.gz BIOGNMBTBWNXKJ-HNNXBMFYSA-N 2 1 334.464 1.683 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000854567849 596120299 /nfs/dbraw/zinc/12/02/99/596120299.db2.gz BIOGNMBTBWNXKJ-HNNXBMFYSA-N 2 1 334.464 1.683 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852514827 596186679 /nfs/dbraw/zinc/18/66/79/596186679.db2.gz LAOOXNLRILYWGW-UXHICEINSA-N 2 1 331.504 1.692 20 0 EDADMP Cn1cc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2cccnc21 ZINC000866573115 596255201 /nfs/dbraw/zinc/25/52/01/596255201.db2.gz HZYPKQCYOLITAJ-QGZVFWFLSA-N 2 1 328.460 1.959 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000862215340 596277446 /nfs/dbraw/zinc/27/74/46/596277446.db2.gz LTCJBIZIHUVDLB-UHFFFAOYSA-N 2 1 331.460 1.685 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1F ZINC000866709095 596302625 /nfs/dbraw/zinc/30/26/25/596302625.db2.gz PUNSBLIFTOEQIT-BJJXKVORSA-N 2 1 335.379 1.201 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1F ZINC000866709095 596302626 /nfs/dbraw/zinc/30/26/26/596302626.db2.gz PUNSBLIFTOEQIT-BJJXKVORSA-N 2 1 335.379 1.201 20 0 EDADMP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711380 596305075 /nfs/dbraw/zinc/30/50/75/596305075.db2.gz JMGNJJRPXRFSTF-NXHRZFHOSA-N 2 1 344.459 1.880 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000870967826 596421060 /nfs/dbraw/zinc/42/10/60/596421060.db2.gz DESIJIZKIROKKY-SZXPJGKVSA-N 2 1 331.460 1.763 20 0 EDADMP C[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000870984030 596429315 /nfs/dbraw/zinc/42/93/15/596429315.db2.gz HEZYKQQIYCSNNE-QGZVFWFLSA-N 2 1 344.503 1.309 20 0 EDADMP C[C@H](NC(=O)[C@@H]([NH3+])c1ccccc1Br)C1CC[NH2+]CC1 ZINC000870987521 596431130 /nfs/dbraw/zinc/43/11/30/596431130.db2.gz KSPJVJJGNGFMIV-HZMBPMFUSA-N 2 1 340.265 1.953 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnc3nccn3c2)CC1 ZINC000864984267 596435535 /nfs/dbraw/zinc/43/55/35/596435535.db2.gz LCLPVPWFZQQCLL-UHFFFAOYSA-N 2 1 337.387 1.128 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000121708081 596449862 /nfs/dbraw/zinc/44/98/62/596449862.db2.gz RFYBXNAEWUDOGX-YESZJQIVSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000121708081 596449863 /nfs/dbraw/zinc/44/98/63/596449863.db2.gz RFYBXNAEWUDOGX-YESZJQIVSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000121708081 596449866 /nfs/dbraw/zinc/44/98/66/596449866.db2.gz RFYBXNAEWUDOGX-YESZJQIVSA-N 2 1 340.512 1.469 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000867794375 596553546 /nfs/dbraw/zinc/55/35/46/596553546.db2.gz PJTNEWKKHVTUIS-INIZCTEOSA-N 2 1 331.526 1.655 20 0 EDADMP COCC[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865456666 596580862 /nfs/dbraw/zinc/58/08/62/596580862.db2.gz PKEDVESJYNYXGX-LSDHHAIUSA-N 2 1 329.485 1.848 20 0 EDADMP COc1cc(C)nc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863642092 596641513 /nfs/dbraw/zinc/64/15/13/596641513.db2.gz KANIECIDPZWQRF-SJORKVTESA-N 2 1 346.431 1.156 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000868022804 596658522 /nfs/dbraw/zinc/65/85/22/596658522.db2.gz IGRURBREECZCKA-ULQDDVLXSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000868022804 596658523 /nfs/dbraw/zinc/65/85/23/596658523.db2.gz IGRURBREECZCKA-ULQDDVLXSA-N 2 1 338.496 1.079 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(O)c(Cl)c2)C[C@H]1C[NH+](C)C ZINC000870023894 596713737 /nfs/dbraw/zinc/71/37/37/596713737.db2.gz NKOULYDXYQUNHS-ZIAGYGMSSA-N 2 1 339.867 1.857 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[N@@H+](C)C1CC1 ZINC000868228569 596736134 /nfs/dbraw/zinc/73/61/34/596736134.db2.gz GDAOJQORWYTQOA-XFBWCDHKSA-N 2 1 330.432 1.039 20 0 EDADMP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155032 596815812 /nfs/dbraw/zinc/81/58/12/596815812.db2.gz KRMSFMNSEDHOQG-CQSZACIVSA-N 2 1 326.485 1.984 20 0 EDADMP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)CCCCCC[NH3+] ZINC000872154989 596815879 /nfs/dbraw/zinc/81/58/79/596815879.db2.gz ILIVYDPPDHPOIC-SNVBAGLBSA-N 2 1 326.363 1.214 20 0 EDADMP C[NH+]1CCC2(CCN(C(=O)NCC[N@H+]3CCCOCC3)CC2)CC1 ZINC000875619752 596921340 /nfs/dbraw/zinc/92/13/40/596921340.db2.gz YQPSMRJSBAWZEB-UHFFFAOYSA-N 2 1 338.496 1.226 20 0 EDADMP CC(C)C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)c2nccnc2C1=O ZINC000872744730 597055310 /nfs/dbraw/zinc/05/53/10/597055310.db2.gz YDABKVHYHMUUCW-UHFFFAOYSA-N 2 1 345.447 1.330 20 0 EDADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)c2nccnc2C1=O ZINC000872744730 597055314 /nfs/dbraw/zinc/05/53/14/597055314.db2.gz YDABKVHYHMUUCW-UHFFFAOYSA-N 2 1 345.447 1.330 20 0 EDADMP [NH3+]CC12CCC(CC1)N2C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000874432838 597076310 /nfs/dbraw/zinc/07/63/10/597076310.db2.gz RTSPWIKTOFYUPB-MUYFXNHWSA-N 2 1 328.460 1.926 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000125158112 597173878 /nfs/dbraw/zinc/17/38/78/597173878.db2.gz VOKQOUUXIBGANW-HRCADAONSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000125158112 597173881 /nfs/dbraw/zinc/17/38/81/597173881.db2.gz VOKQOUUXIBGANW-HRCADAONSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000125158112 597173884 /nfs/dbraw/zinc/17/38/84/597173884.db2.gz VOKQOUUXIBGANW-HRCADAONSA-N 2 1 328.501 1.467 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000873111473 597199816 /nfs/dbraw/zinc/19/98/16/597199816.db2.gz ANKOTDXJUNDOSW-HZPDHXFCSA-N 2 1 330.432 1.087 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1 ZINC000873112698 597200394 /nfs/dbraw/zinc/20/03/94/597200394.db2.gz ZKDLHZOHOOYCTH-HZPDHXFCSA-N 2 1 330.432 1.040 20 0 EDADMP O=S1(=O)C[C@H]2CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@H]2C1 ZINC000873227568 597234374 /nfs/dbraw/zinc/23/43/74/597234374.db2.gz LNIJJCKXEDMNPE-YPMHNXCESA-N 2 1 326.487 1.260 20 0 EDADMP O=S1(=O)C[C@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@H]2C1 ZINC000873227568 597234375 /nfs/dbraw/zinc/23/43/75/597234375.db2.gz LNIJJCKXEDMNPE-YPMHNXCESA-N 2 1 326.487 1.260 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C)C(C)(C)CC2)C1 ZINC000875015798 597244783 /nfs/dbraw/zinc/24/47/83/597244783.db2.gz SRQIZYCSRQQQAW-INIZCTEOSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC000875015798 597244784 /nfs/dbraw/zinc/24/47/84/597244784.db2.gz SRQIZYCSRQQQAW-INIZCTEOSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)C1 ZINC000875015798 597244786 /nfs/dbraw/zinc/24/47/86/597244786.db2.gz SRQIZYCSRQQQAW-INIZCTEOSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000875071775 597269887 /nfs/dbraw/zinc/26/98/87/597269887.db2.gz MTMJEMRBCSKMSA-OAGGEKHMSA-N 2 1 340.512 1.251 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000875071775 597269889 /nfs/dbraw/zinc/26/98/89/597269889.db2.gz MTMJEMRBCSKMSA-OAGGEKHMSA-N 2 1 340.512 1.251 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000875071775 597269890 /nfs/dbraw/zinc/26/98/90/597269890.db2.gz MTMJEMRBCSKMSA-OAGGEKHMSA-N 2 1 340.512 1.251 20 0 EDADMP Cn1ncc(C[NH3+])c1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000876709172 597297279 /nfs/dbraw/zinc/29/72/79/597297279.db2.gz LFKDKPZDESHZLG-CQSZACIVSA-N 2 1 335.839 1.565 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C[C@H](C)O1 ZINC000876737367 597313972 /nfs/dbraw/zinc/31/39/72/597313972.db2.gz QITKMXXVEBGNCD-KMOPNRPKSA-N 2 1 335.492 1.619 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C[C@H](C)O1 ZINC000876737367 597313975 /nfs/dbraw/zinc/31/39/75/597313975.db2.gz QITKMXXVEBGNCD-KMOPNRPKSA-N 2 1 335.492 1.619 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876916405 597384180 /nfs/dbraw/zinc/38/41/80/597384180.db2.gz BDXKFFFYVOTSEK-QZTJIDSGSA-N 2 1 343.471 1.393 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876916407 597384201 /nfs/dbraw/zinc/38/42/01/597384201.db2.gz BDXKFFFYVOTSEK-ROUUACIJSA-N 2 1 343.471 1.393 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876946297 597392411 /nfs/dbraw/zinc/39/24/11/597392411.db2.gz QGRPRCWRPHNRMH-LHHMISFZSA-N 2 1 332.492 1.385 20 0 EDADMP C[C@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000876988872 597405874 /nfs/dbraw/zinc/40/58/74/597405874.db2.gz LOVGSHBBFYOJID-WMZOPIPTSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000876988872 597405877 /nfs/dbraw/zinc/40/58/77/597405877.db2.gz LOVGSHBBFYOJID-WMZOPIPTSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000877073201 597426583 /nfs/dbraw/zinc/42/65/83/597426583.db2.gz FITDYHPOXCXYTR-UONOGXRCSA-N 2 1 331.526 1.699 20 0 EDADMP COc1ccccc1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1nccn1C ZINC000873898395 597439383 /nfs/dbraw/zinc/43/93/83/597439383.db2.gz PDJKDRXANMOOMI-KBXCAEBGSA-N 2 1 342.443 1.976 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)c1csc(C[NH3+])n1 ZINC000877132595 597439753 /nfs/dbraw/zinc/43/97/53/597439753.db2.gz IEMFJMASNIDLJW-UHFFFAOYSA-N 2 1 326.466 1.032 20 0 EDADMP CC1(C)CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)[NH2+]C1 ZINC000877154150 597445227 /nfs/dbraw/zinc/44/52/27/597445227.db2.gz LWZYGGZPNCKJQQ-NVXWUHKLSA-N 2 1 330.476 1.940 20 0 EDADMP CC1(C)CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)[NH2+]C1 ZINC000877154150 597445228 /nfs/dbraw/zinc/44/52/28/597445228.db2.gz LWZYGGZPNCKJQQ-NVXWUHKLSA-N 2 1 330.476 1.940 20 0 EDADMP C[C@@H](CCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[NH+]1CCCCC1 ZINC000875483919 597447783 /nfs/dbraw/zinc/44/77/83/597447783.db2.gz DNCPTXGBHKKIAS-HOTGVXAUSA-N 2 1 340.512 1.395 20 0 EDADMP C[NH+]1CCC2(CCN(C(=O)c3cc([C@H]4CC[NH2+]C4)[nH]n3)CC2)CC1 ZINC000877191994 597457284 /nfs/dbraw/zinc/45/72/84/597457284.db2.gz GOLKSEUUZYEYTC-AWEZNQCLSA-N 2 1 331.464 1.435 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000877230539 597469983 /nfs/dbraw/zinc/46/99/83/597469983.db2.gz DRNJZWVSNVGZOX-LSDHHAIUSA-N 2 1 341.402 1.295 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000877230539 597469985 /nfs/dbraw/zinc/46/99/85/597469985.db2.gz DRNJZWVSNVGZOX-LSDHHAIUSA-N 2 1 341.402 1.295 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877250097 597479443 /nfs/dbraw/zinc/47/94/43/597479443.db2.gz NHYIUPLVTSAXRO-LEUOFYLZSA-N 2 1 331.460 1.472 20 0 EDADMP C[C@@]12CN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877352086 597498703 /nfs/dbraw/zinc/49/87/03/597498703.db2.gz AUDIZFJTUDFSOE-PNYFIKQUSA-N 2 1 343.471 1.331 20 0 EDADMP COCC[N@H+](Cc1ccc2c(c1)oc(=O)n2C)CC1CC[NH+](C)CC1 ZINC000877664843 597545942 /nfs/dbraw/zinc/54/59/42/597545942.db2.gz YZOADJHPAYAOOQ-UHFFFAOYSA-N 2 1 347.459 1.922 20 0 EDADMP C[NH+](C)C[C@@H]1C[NH+](CC2CCC3(CC2)OCCO3)C[C@H]1C[NH+](C)C ZINC000877669468 597546477 /nfs/dbraw/zinc/54/64/77/597546477.db2.gz KPOUCDVEJFQQFP-QZTJIDSGSA-N 3 1 339.524 1.591 20 0 EDADMP COC(=O)C[C@@](C)([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000877707382 597549071 /nfs/dbraw/zinc/54/90/71/597549071.db2.gz ROXZUFTZHAOEPD-GOSISDBHSA-N 2 1 347.463 1.050 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)CC1 ZINC000878283378 597592498 /nfs/dbraw/zinc/59/24/98/597592498.db2.gz HUUHMBMTBVXKFO-CQSZACIVSA-N 2 1 346.479 1.003 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)CC1 ZINC000878283378 597592499 /nfs/dbraw/zinc/59/24/99/597592499.db2.gz HUUHMBMTBVXKFO-CQSZACIVSA-N 2 1 346.479 1.003 20 0 EDADMP CN(CC[N@@H+](C)C[C@H]1CCC2(CCOCC2)O1)C1CC[NH+](C)CC1 ZINC000878311417 597594512 /nfs/dbraw/zinc/59/45/12/597594512.db2.gz KXDKVEQRHTXPAV-GOSISDBHSA-N 2 1 339.524 1.672 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC000881434674 597616932 /nfs/dbraw/zinc/61/69/32/597616932.db2.gz XCILLAMLRXVZDX-LJQANCHMSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC000881434674 597616934 /nfs/dbraw/zinc/61/69/34/597616934.db2.gz XCILLAMLRXVZDX-LJQANCHMSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC000881434674 597616935 /nfs/dbraw/zinc/61/69/35/597616935.db2.gz XCILLAMLRXVZDX-LJQANCHMSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC000881434674 597616937 /nfs/dbraw/zinc/61/69/37/597616937.db2.gz XCILLAMLRXVZDX-LJQANCHMSA-N 2 1 345.487 1.796 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000879574536 597637478 /nfs/dbraw/zinc/63/74/78/597637478.db2.gz BDFUQKGAVOHEHW-GDBMZVCRSA-N 2 1 330.432 1.140 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000879574536 597637483 /nfs/dbraw/zinc/63/74/83/597637483.db2.gz BDFUQKGAVOHEHW-GDBMZVCRSA-N 2 1 330.432 1.140 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000879574536 597637485 /nfs/dbraw/zinc/63/74/85/597637485.db2.gz BDFUQKGAVOHEHW-GDBMZVCRSA-N 2 1 330.432 1.140 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000879574536 597637488 /nfs/dbraw/zinc/63/74/88/597637488.db2.gz BDFUQKGAVOHEHW-GDBMZVCRSA-N 2 1 330.432 1.140 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1)c1ccccc1 ZINC000879580218 597642127 /nfs/dbraw/zinc/64/21/27/597642127.db2.gz FTLKZWMUSVFMHA-GUDVDZBRSA-N 2 1 344.503 1.432 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)CC1 ZINC000878625496 597659684 /nfs/dbraw/zinc/65/96/84/597659684.db2.gz VTSDOAJQTMDMNX-SFHVURJKSA-N 2 1 342.487 1.334 20 0 EDADMP Cn1nnnc1CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000878648106 597667224 /nfs/dbraw/zinc/66/72/24/597667224.db2.gz NSBNSHGQRSZWDI-UHFFFAOYSA-N 2 1 340.475 1.741 20 0 EDADMP NC(=O)c1ccc(CC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000878693887 597680949 /nfs/dbraw/zinc/68/09/49/597680949.db2.gz ITOUVZMVUONJPN-UHFFFAOYSA-N 2 1 331.460 1.155 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CCC(C)(C)CO3)cn2)CC1 ZINC000883243325 597692736 /nfs/dbraw/zinc/69/27/36/597692736.db2.gz IIXSYHQBMBUDCM-MRXNPFEDSA-N 2 1 333.480 1.523 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883301868 597707283 /nfs/dbraw/zinc/70/72/83/597707283.db2.gz KKZOIVHSARIRHU-OAHLLOKOSA-N 2 1 340.512 1.659 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)CC1 ZINC000878801576 597716749 /nfs/dbraw/zinc/71/67/49/597716749.db2.gz LXWQTTSLOLFFHR-IBGZPJMESA-N 2 1 333.451 2.000 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](C)(c3cccc(F)c3)C2)CC1 ZINC000878801576 597716750 /nfs/dbraw/zinc/71/67/50/597716750.db2.gz LXWQTTSLOLFFHR-IBGZPJMESA-N 2 1 333.451 2.000 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2CC)[C@@H](C)C1 ZINC000883420322 597740563 /nfs/dbraw/zinc/74/05/63/597740563.db2.gz IINRPFSPTBHKMJ-BBWFWOEESA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2CC)[C@@H](C)C1 ZINC000883420322 597740564 /nfs/dbraw/zinc/74/05/64/597740564.db2.gz IINRPFSPTBHKMJ-BBWFWOEESA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2CC)[C@@H](C)C1 ZINC000883420322 597740565 /nfs/dbraw/zinc/74/05/65/597740565.db2.gz IINRPFSPTBHKMJ-BBWFWOEESA-N 2 1 340.512 1.517 20 0 EDADMP CC1(C)C[C@@H](C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C(C)(C)O1 ZINC000883426884 597742661 /nfs/dbraw/zinc/74/26/61/597742661.db2.gz CDAYRPCUHBKYLH-LSDHHAIUSA-N 2 1 325.497 1.900 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883586602 597815058 /nfs/dbraw/zinc/81/50/58/597815058.db2.gz OLZQURIXJGFBGC-WMZOPIPTSA-N 2 1 343.475 1.797 20 0 EDADMP COCC[N@@H+](CCN1C[C@@H](C)O[C@@H](C)C1)CC1CC[NH+](C)CC1 ZINC000879127274 597827871 /nfs/dbraw/zinc/82/78/71/597827871.db2.gz UMGVWYUGLWJVJO-CALCHBBNSA-N 2 1 327.513 1.386 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000879239847 597862101 /nfs/dbraw/zinc/86/21/01/597862101.db2.gz HTMYBGKFSXPXOO-UYAOXDASSA-N 2 1 345.487 1.785 20 0 EDADMP CO[C@H]1COCC[C@H]1[NH+](C)C/C=C\C[N@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880431699 597932441 /nfs/dbraw/zinc/93/24/41/597932441.db2.gz DTWREOKBONXGMQ-JPVWCZMSSA-N 2 1 342.480 1.014 20 0 EDADMP CO[C@H]1COCC[C@H]1[N@@H+](C)C/C=C\C[NH+](C)[C@H]1CCOC[C@H]1OC ZINC000880431699 597932443 /nfs/dbraw/zinc/93/24/43/597932443.db2.gz DTWREOKBONXGMQ-JPVWCZMSSA-N 2 1 342.480 1.014 20 0 EDADMP CO[C@H]1COCC[C@H]1[N@H+](C)C/C=C\C[NH+](C)[C@H]1CCOC[C@H]1OC ZINC000880431699 597932461 /nfs/dbraw/zinc/93/24/61/597932461.db2.gz DTWREOKBONXGMQ-JPVWCZMSSA-N 2 1 342.480 1.014 20 0 EDADMP CC[C@H](CNC(=O)c1ncoc1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000884188875 598020075 /nfs/dbraw/zinc/02/00/75/598020075.db2.gz RCUNETYDDWUJPQ-OAHLLOKOSA-N 2 1 328.416 1.700 20 0 EDADMP CC[C@H](CNC(=O)c1ncoc1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000884188875 598020078 /nfs/dbraw/zinc/02/00/78/598020078.db2.gz RCUNETYDDWUJPQ-OAHLLOKOSA-N 2 1 328.416 1.700 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[NH2+]CC3(C)C)CC2)oc1C ZINC000884218987 598032784 /nfs/dbraw/zinc/03/27/84/598032784.db2.gz DSCANDWZPBLHLY-INIZCTEOSA-N 2 1 348.491 1.865 20 0 EDADMP CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000884229128 598037627 /nfs/dbraw/zinc/03/76/27/598037627.db2.gz INPXAUQJCXIPCG-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000884229128 598037630 /nfs/dbraw/zinc/03/76/30/598037630.db2.gz INPXAUQJCXIPCG-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000738421226 599486057 /nfs/dbraw/zinc/48/60/57/599486057.db2.gz QENUYTUOIYGCTC-KBPBESRZSA-N 2 1 338.419 1.231 20 0 EDADMP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000738421226 599486059 /nfs/dbraw/zinc/48/60/59/599486059.db2.gz QENUYTUOIYGCTC-KBPBESRZSA-N 2 1 338.419 1.231 20 0 EDADMP CCC[N@@H+](C)CC(=O)N(C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001067670993 695177996 /nfs/dbraw/zinc/17/79/96/695177996.db2.gz OESFWBMHDAHFSC-UHFFFAOYSA-N 2 1 340.512 1.119 20 0 EDADMP CCC[NH+](C)CC(=O)N(C)CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001067670993 695177998 /nfs/dbraw/zinc/17/79/98/695177998.db2.gz OESFWBMHDAHFSC-UHFFFAOYSA-N 2 1 340.512 1.119 20 0 EDADMP CCC[NH+](C)CC(=O)N(C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001067670993 695178000 /nfs/dbraw/zinc/17/80/00/695178000.db2.gz OESFWBMHDAHFSC-UHFFFAOYSA-N 2 1 340.512 1.119 20 0 EDADMP Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)cn1 ZINC000993761837 696360923 /nfs/dbraw/zinc/36/09/23/696360923.db2.gz OURCRVURHMJNFM-QAPCUYQASA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)cn1 ZINC000993761837 696360926 /nfs/dbraw/zinc/36/09/26/696360926.db2.gz OURCRVURHMJNFM-QAPCUYQASA-N 2 1 345.491 1.596 20 0 EDADMP Cc1oncc1C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993761891 696360988 /nfs/dbraw/zinc/36/09/88/696360988.db2.gz PAMVUSIMWJIGPQ-SUMWQHHRSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1oncc1C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993761891 696360990 /nfs/dbraw/zinc/36/09/90/696360990.db2.gz PAMVUSIMWJIGPQ-SUMWQHHRSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015702423 696561976 /nfs/dbraw/zinc/56/19/76/696561976.db2.gz NOOFRPBWHLXWIL-DOMZBBRYSA-N 2 1 336.505 1.935 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001015702423 696561979 /nfs/dbraw/zinc/56/19/79/696561979.db2.gz NOOFRPBWHLXWIL-DOMZBBRYSA-N 2 1 336.505 1.935 20 0 EDADMP Cc1nsc(C)c1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015702423 696561982 /nfs/dbraw/zinc/56/19/82/696561982.db2.gz NOOFRPBWHLXWIL-DOMZBBRYSA-N 2 1 336.505 1.935 20 0 EDADMP Cc1nsc(C)c1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015702423 696561984 /nfs/dbraw/zinc/56/19/84/696561984.db2.gz NOOFRPBWHLXWIL-DOMZBBRYSA-N 2 1 336.505 1.935 20 0 EDADMP Cc1ccncc1C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994248132 696637877 /nfs/dbraw/zinc/63/78/77/696637877.db2.gz DNDSGUVVXNEDST-AEFFLSMTSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1nccnc1C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994256948 696662487 /nfs/dbraw/zinc/66/24/87/696662487.db2.gz RWBNXXFZAVXPRW-JKSUJKDBSA-N 2 1 343.475 1.350 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994256948 696662490 /nfs/dbraw/zinc/66/24/90/696662490.db2.gz RWBNXXFZAVXPRW-JKSUJKDBSA-N 2 1 343.475 1.350 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1CCc1cnn(C)c1 ZINC000994260049 696672782 /nfs/dbraw/zinc/67/27/82/696672782.db2.gz XKELOSPBVWIFER-NVXWUHKLSA-N 2 1 345.491 1.028 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000940008382 700110392 /nfs/dbraw/zinc/11/03/92/700110392.db2.gz LLVSMKQICWRNIK-CYBMUJFWSA-N 2 1 335.452 1.197 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000940008382 700110393 /nfs/dbraw/zinc/11/03/93/700110393.db2.gz LLVSMKQICWRNIK-CYBMUJFWSA-N 2 1 335.452 1.197 20 0 EDADMP Cc1noc(CCC[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)n1 ZINC000994404078 696826875 /nfs/dbraw/zinc/82/68/75/696826875.db2.gz DTOMVXSDCUGFBN-GDBMZVCRSA-N 2 1 349.479 1.376 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)n1 ZINC000994406004 696829459 /nfs/dbraw/zinc/82/94/59/696829459.db2.gz JYNOXXKCGXAKJX-QZTJIDSGSA-N 2 1 347.507 1.565 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000925435403 696970343 /nfs/dbraw/zinc/97/03/43/696970343.db2.gz QEOJIYHDACYHTN-ROUUACIJSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000925435403 696970345 /nfs/dbraw/zinc/97/03/45/696970345.db2.gz QEOJIYHDACYHTN-ROUUACIJSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000925435403 696970347 /nfs/dbraw/zinc/97/03/47/696970347.db2.gz QEOJIYHDACYHTN-ROUUACIJSA-N 2 1 330.476 1.649 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)NC[C@@H]3CC[N@H+]3C)CCCC2)CC1 ZINC000917419153 697013173 /nfs/dbraw/zinc/01/31/73/697013173.db2.gz JPTPVVXJBNBUQE-HNNXBMFYSA-N 2 1 338.496 1.413 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NC2C[NH+](C[C@H]3CCOC3)C2)o1 ZINC001031467698 697148949 /nfs/dbraw/zinc/14/89/49/697148949.db2.gz HDBMYLINYBMMPH-CQSZACIVSA-N 2 1 335.448 1.572 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@H]3CCc4ccccc43)C2)C1 ZINC001031596091 697295722 /nfs/dbraw/zinc/29/57/22/697295722.db2.gz FXGNDPSDZCXXGB-ROUUACIJSA-N 2 1 329.444 1.053 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@H]3CCc4ccccc43)C2)C1 ZINC001031596091 697295723 /nfs/dbraw/zinc/29/57/23/697295723.db2.gz FXGNDPSDZCXXGB-ROUUACIJSA-N 2 1 329.444 1.053 20 0 EDADMP CN(CC[N@H+](C)CC[S@@](=O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000930114626 697392938 /nfs/dbraw/zinc/39/29/38/697392938.db2.gz OKGWDWYZWQBCLV-OAQYLSRUSA-N 2 1 329.432 1.213 20 0 EDADMP CN(CC[N@@H+](C)CC[S@@](=O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000930114626 697392940 /nfs/dbraw/zinc/39/29/40/697392940.db2.gz OKGWDWYZWQBCLV-OAQYLSRUSA-N 2 1 329.432 1.213 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031675564 697486270 /nfs/dbraw/zinc/48/62/70/697486270.db2.gz MQSCOVGUUNJXOL-KRWDZBQOSA-N 2 1 328.460 1.280 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@@H](O)C3CCCCC3)C2)CC[N@H+]1C ZINC001031681755 697505697 /nfs/dbraw/zinc/50/56/97/697505697.db2.gz HXOAXKBRHMAFJQ-ZTFGCOKTSA-N 2 1 337.508 1.316 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)n1 ZINC001031682867 697507320 /nfs/dbraw/zinc/50/73/20/697507320.db2.gz YLRSPBJCAWALJL-CRAIPNDOSA-N 2 1 330.476 1.587 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)n1 ZINC001031682867 697507321 /nfs/dbraw/zinc/50/73/21/697507321.db2.gz YLRSPBJCAWALJL-CRAIPNDOSA-N 2 1 330.476 1.587 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3cnccc3C)C2)CC[N@H+]1C ZINC001031684659 697511814 /nfs/dbraw/zinc/51/18/14/697511814.db2.gz XHXFVTASGLZYST-ZWKOTPCHSA-N 2 1 330.476 1.668 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cnccc3C)C2)CC[N@@H+]1C ZINC001031684659 697511816 /nfs/dbraw/zinc/51/18/16/697511816.db2.gz XHXFVTASGLZYST-ZWKOTPCHSA-N 2 1 330.476 1.668 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cnccc3C)C2)CC[N@H+]1C ZINC001031684659 697511818 /nfs/dbraw/zinc/51/18/18/697511818.db2.gz XHXFVTASGLZYST-ZWKOTPCHSA-N 2 1 330.476 1.668 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnc(C)s2)C1 ZINC001031711129 697716669 /nfs/dbraw/zinc/71/66/69/697716669.db2.gz CCQVDWAYVMFCAK-MRXNPFEDSA-N 2 1 336.505 1.874 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnc(C)s2)C1 ZINC001031711129 697716671 /nfs/dbraw/zinc/71/66/71/697716671.db2.gz CCQVDWAYVMFCAK-MRXNPFEDSA-N 2 1 336.505 1.874 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031728928 698074847 /nfs/dbraw/zinc/07/48/47/698074847.db2.gz DCVZOXNSLZBFGK-INIZCTEOSA-N 2 1 348.491 1.763 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031728928 698074851 /nfs/dbraw/zinc/07/48/51/698074851.db2.gz DCVZOXNSLZBFGK-INIZCTEOSA-N 2 1 348.491 1.763 20 0 EDADMP CC[C@H](C[NH+]1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1)OC ZINC001032079011 698237449 /nfs/dbraw/zinc/23/74/49/698237449.db2.gz OAFWZDOOEOQIHD-QGZVFWFLSA-N 2 1 343.431 1.354 20 0 EDADMP CC(C)C[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001040882683 698464569 /nfs/dbraw/zinc/46/45/69/698464569.db2.gz IBWQAYLONXFREJ-UHFFFAOYSA-N 2 1 337.508 1.679 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000446278570 699049411 /nfs/dbraw/zinc/04/94/11/699049411.db2.gz WXISNNDJYHZJMN-HIFRSBDPSA-N 2 1 339.443 1.621 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939055272 699116173 /nfs/dbraw/zinc/11/61/73/699116173.db2.gz WKOCATJRPKQUCY-CZUORRHYSA-N 2 1 331.464 1.063 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000939133669 699218160 /nfs/dbraw/zinc/21/81/60/699218160.db2.gz SWLMZZPLPLLYOQ-WMLDXEAASA-N 2 1 348.466 1.889 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000939133668 699218295 /nfs/dbraw/zinc/21/82/95/699218295.db2.gz SWLMZZPLPLLYOQ-RHSMWYFYSA-N 2 1 348.466 1.889 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939132129 699230751 /nfs/dbraw/zinc/23/07/51/699230751.db2.gz FNXKCOPGQGQFBA-YOEHRIQHSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939138454 699235975 /nfs/dbraw/zinc/23/59/75/699235975.db2.gz ZAJNECMJNRMLBN-PBHICJAKSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nc2c([nH]1)CC[C@@H](C(=O)NCC1C[NH+](CC[C@H]3CCCO3)C1)C2 ZINC001031787115 699241608 /nfs/dbraw/zinc/24/16/08/699241608.db2.gz BBSQAAYEFXXTOU-HZPDHXFCSA-N 2 1 346.475 1.440 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939257173 699434396 /nfs/dbraw/zinc/43/43/96/699434396.db2.gz KMXDTJNXDUESDG-RHSMWYFYSA-N 2 1 345.491 1.453 20 0 EDADMP CC(C)C[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)C1 ZINC000941590230 701591837 /nfs/dbraw/zinc/59/18/37/701591837.db2.gz HFDFFQAAWRQZHG-UHFFFAOYSA-N 2 1 347.507 1.491 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]Cc1ccsc1 ZINC000939317387 699507320 /nfs/dbraw/zinc/50/73/20/699507320.db2.gz VYZXYZYCUVSJHX-ZBFHGGJFSA-N 2 1 337.489 1.407 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)n1 ZINC000939398853 699547997 /nfs/dbraw/zinc/54/79/97/699547997.db2.gz RVLOFCBUPUYEHN-RDJZCZTQSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)sn1 ZINC000939757638 699924759 /nfs/dbraw/zinc/92/47/59/699924759.db2.gz ZKYHDBSVPHIOMJ-IAQYHMDHSA-N 2 1 333.461 1.593 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940141846 700269693 /nfs/dbraw/zinc/26/96/93/700269693.db2.gz INBFWSFPDFTVIE-INIZCTEOSA-N 2 1 345.491 1.822 20 0 EDADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC(C)([NH2+]CC2CC2)CC1 ZINC000940147924 700279871 /nfs/dbraw/zinc/27/98/71/700279871.db2.gz JWRYXXPZEFHVPX-MRXNPFEDSA-N 2 1 333.480 1.194 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1 ZINC000940149402 700282264 /nfs/dbraw/zinc/28/22/64/700282264.db2.gz KSURMIWBHJLZNO-MRXNPFEDSA-N 2 1 349.479 1.803 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1 ZINC000940194485 700332672 /nfs/dbraw/zinc/33/26/72/700332672.db2.gz RWGITKAXMFXBAZ-INIZCTEOSA-N 2 1 349.479 1.661 20 0 EDADMP Cc1ccnc(CNC[C@H]2CC[C@H](NC(=O)Cc3cncn3C)C2)n1 ZINC000995167527 701637759 /nfs/dbraw/zinc/63/77/59/701637759.db2.gz JUEXEVCOEZGEIL-GJZGRUSLSA-N 2 1 342.447 1.136 20 0 EDADMP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000940327951 700505318 /nfs/dbraw/zinc/50/53/18/700505318.db2.gz ARFJBPRBMIXKPJ-DOTOQJQBSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ncnc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940426313 700619997 /nfs/dbraw/zinc/61/99/97/700619997.db2.gz PKMYLFFAJAFMEJ-HNNXBMFYSA-N 2 1 348.495 1.111 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C)o2)CC1 ZINC000940472554 700657703 /nfs/dbraw/zinc/65/77/03/700657703.db2.gz CXKXWIOVNQPYGZ-HNNXBMFYSA-N 2 1 349.479 1.723 20 0 EDADMP Cc1cncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000940457456 700660913 /nfs/dbraw/zinc/66/09/13/700660913.db2.gz GPMUWGDKWBUHSY-KRWDZBQOSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1 ZINC000940461469 700664605 /nfs/dbraw/zinc/66/46/05/700664605.db2.gz CMDCDNJTEWQHGB-UHFFFAOYSA-N 2 1 330.436 1.096 20 0 EDADMP CCc1noc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995081668 700699516 /nfs/dbraw/zinc/69/95/16/700699516.db2.gz VWHNMUDHQLXVHK-DZGCQCFKSA-N 2 1 349.479 1.348 20 0 EDADMP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031921938 701071524 /nfs/dbraw/zinc/07/15/24/701071524.db2.gz OAQTTWSNKIZVNH-QAPCUYQASA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+](CCCO)CC2(C)C)CC1 ZINC000941078290 701140065 /nfs/dbraw/zinc/14/00/65/701140065.db2.gz CPQRTDZPCBDGSK-INIZCTEOSA-N 2 1 325.497 1.317 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC3CCC4(CC4)CC3)C2)C1 ZINC001032197445 701693468 /nfs/dbraw/zinc/69/34/68/701693468.db2.gz KKYNUNASDZZAAC-SFHVURJKSA-N 2 1 349.519 1.726 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC3CCC4(CC4)CC3)C2)C1 ZINC001032197445 701693469 /nfs/dbraw/zinc/69/34/69/701693469.db2.gz KKYNUNASDZZAAC-SFHVURJKSA-N 2 1 349.519 1.726 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3ccon3)CC2(C)C)C1 ZINC000941163989 701228989 /nfs/dbraw/zinc/22/89/89/701228989.db2.gz RDSIPVCTRAZWQA-ZBFHGGJFSA-N 2 1 334.464 1.733 20 0 EDADMP CC1(C)C[N@@H+](CC2CCOCC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166898 701377792 /nfs/dbraw/zinc/37/77/92/701377792.db2.gz LFBSTIFFFAMEBC-KRWDZBQOSA-N 2 1 349.519 1.726 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999169439 706598135 /nfs/dbraw/zinc/59/81/35/706598135.db2.gz RNSWMJZAZDVCKK-DQPZFDDXSA-N 2 1 347.463 1.331 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccn3)CC2(C)C)C1 ZINC000941218107 701392957 /nfs/dbraw/zinc/39/29/57/701392957.db2.gz VNTUPOQDBKVTLX-DOTOQJQBSA-N 2 1 330.476 1.750 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)CC2(C)C)C1 ZINC000941218107 701392958 /nfs/dbraw/zinc/39/29/58/701392958.db2.gz VNTUPOQDBKVTLX-DOTOQJQBSA-N 2 1 330.476 1.750 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)CC2(C)C)C1 ZINC000941218107 701392959 /nfs/dbraw/zinc/39/29/59/701392959.db2.gz VNTUPOQDBKVTLX-DOTOQJQBSA-N 2 1 330.476 1.750 20 0 EDADMP CCn1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941217888 701398230 /nfs/dbraw/zinc/39/82/30/701398230.db2.gz UHMAVSURDAPTRL-WBVHZDCISA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941217888 701398231 /nfs/dbraw/zinc/39/82/31/701398231.db2.gz UHMAVSURDAPTRL-WBVHZDCISA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC000941217888 701398232 /nfs/dbraw/zinc/39/82/32/701398232.db2.gz UHMAVSURDAPTRL-WBVHZDCISA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC000941217888 701398233 /nfs/dbraw/zinc/39/82/33/701398233.db2.gz UHMAVSURDAPTRL-WBVHZDCISA-N 2 1 347.507 1.571 20 0 EDADMP CC1(C)C[N@@H+](CC2CCOCC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941215061 701401411 /nfs/dbraw/zinc/40/14/11/701401411.db2.gz KPNVJGSQQGHUAX-KRWDZBQOSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1conc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941216912 701403053 /nfs/dbraw/zinc/40/30/53/701403053.db2.gz HKJSXPKURIWMKZ-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941216912 701403054 /nfs/dbraw/zinc/40/30/54/701403054.db2.gz HKJSXPKURIWMKZ-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216912 701403055 /nfs/dbraw/zinc/40/30/55/701403055.db2.gz HKJSXPKURIWMKZ-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216912 701403056 /nfs/dbraw/zinc/40/30/56/701403056.db2.gz HKJSXPKURIWMKZ-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)o1 ZINC000941217141 701403276 /nfs/dbraw/zinc/40/32/76/701403276.db2.gz KCNLXJQDZMXAPE-NVXWUHKLSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941217141 701403277 /nfs/dbraw/zinc/40/32/77/701403277.db2.gz KCNLXJQDZMXAPE-NVXWUHKLSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941217141 701403278 /nfs/dbraw/zinc/40/32/78/701403278.db2.gz KCNLXJQDZMXAPE-NVXWUHKLSA-N 2 1 348.491 1.960 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CC=C(C)C)CC2(C)C)C1 ZINC000941231088 701404847 /nfs/dbraw/zinc/40/48/47/701404847.db2.gz NCJVTIXQCZBPJA-IAGOWNOFSA-N 2 1 337.508 1.890 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CC=C(C)C)CC2(C)C)C1 ZINC000941231088 701404848 /nfs/dbraw/zinc/40/48/48/701404848.db2.gz NCJVTIXQCZBPJA-IAGOWNOFSA-N 2 1 337.508 1.890 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CC=C(C)C)CC2(C)C)C1 ZINC000941231088 701404849 /nfs/dbraw/zinc/40/48/49/701404849.db2.gz NCJVTIXQCZBPJA-IAGOWNOFSA-N 2 1 337.508 1.890 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC=C(C)C)CC2(C)C)C1 ZINC000941231088 701404850 /nfs/dbraw/zinc/40/48/50/701404850.db2.gz NCJVTIXQCZBPJA-IAGOWNOFSA-N 2 1 337.508 1.890 20 0 EDADMP CC1(C)C[N@@H+](C[C@H]2CCCOC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221341 701412096 /nfs/dbraw/zinc/41/20/96/701412096.db2.gz RJAVYKVFUKBEEO-IAGOWNOFSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC000999172093 706603091 /nfs/dbraw/zinc/60/30/91/706603091.db2.gz ZWZLKKVLWXTDPQ-GJZGRUSLSA-N 2 1 349.504 1.269 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc1 ZINC000999174040 706605662 /nfs/dbraw/zinc/60/56/62/706605662.db2.gz NJQGZKPWPXVFRH-IRXDYDNUSA-N 2 1 343.475 1.207 20 0 EDADMP CCc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001032202689 701885564 /nfs/dbraw/zinc/88/55/64/701885564.db2.gz TVFMTHFCMLFWMC-LJQANCHMSA-N 2 1 345.487 1.518 20 0 EDADMP CCc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001032202689 701885569 /nfs/dbraw/zinc/88/55/69/701885569.db2.gz TVFMTHFCMLFWMC-LJQANCHMSA-N 2 1 345.487 1.518 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCCC2CCOCC2)C1 ZINC001031976514 701965074 /nfs/dbraw/zinc/96/50/74/701965074.db2.gz NODBGXIIJRKUFV-CRAIPNDOSA-N 2 1 337.508 1.439 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001032205714 702093881 /nfs/dbraw/zinc/09/38/81/702093881.db2.gz GJNBXRIPEKBGMS-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)on1 ZINC000995824386 702095438 /nfs/dbraw/zinc/09/54/38/702095438.db2.gz ILZBRTIDNLJDTP-FVQBIDKESA-N 2 1 334.464 1.650 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995835400 702112480 /nfs/dbraw/zinc/11/24/80/702112480.db2.gz WZDHQVKOOUNKLF-WQVCFCJDSA-N 2 1 334.464 1.650 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001032206100 702128251 /nfs/dbraw/zinc/12/82/51/702128251.db2.gz RMZMUNIZYUKDBR-LSDHHAIUSA-N 2 1 345.434 1.333 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001032206100 702128253 /nfs/dbraw/zinc/12/82/53/702128253.db2.gz RMZMUNIZYUKDBR-LSDHHAIUSA-N 2 1 345.434 1.333 20 0 EDADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)n1 ZINC000995920929 702242671 /nfs/dbraw/zinc/24/26/71/702242671.db2.gz WKTYXVMPIIPFTR-MRXNPFEDSA-N 2 1 333.480 1.231 20 0 EDADMP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995913937 702273269 /nfs/dbraw/zinc/27/32/69/702273269.db2.gz JEQINZWRPLIHSL-HUUCEWRRSA-N 2 1 348.495 1.016 20 0 EDADMP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995913937 702273275 /nfs/dbraw/zinc/27/32/75/702273275.db2.gz JEQINZWRPLIHSL-HUUCEWRRSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H]1C[N@@H+](CCC2CCOCC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171648 702417607 /nfs/dbraw/zinc/41/76/07/702417607.db2.gz ZMGDOUKMCVMTGX-FUHWJXTLSA-N 2 1 349.519 1.726 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)oc1C ZINC000996245663 702649488 /nfs/dbraw/zinc/64/94/88/702649488.db2.gz GBICEMJKECUAIN-MRXNPFEDSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)o1 ZINC000996299731 702690385 /nfs/dbraw/zinc/69/03/85/702690385.db2.gz DKJLPVHEZMVJEF-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996300391 702691673 /nfs/dbraw/zinc/69/16/73/702691673.db2.gz LHNIUMSLCSIZKI-DYVFJYSZSA-N 2 1 329.460 1.018 20 0 EDADMP CCn1nncc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996300476 702692186 /nfs/dbraw/zinc/69/21/86/702692186.db2.gz MTVFHYJNZOAMMD-HOCLYGCPSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1nnc(CN[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)o1 ZINC000996301485 702693333 /nfs/dbraw/zinc/69/33/33/702693333.db2.gz UFPLUXLZBICNST-GXTWGEPZSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnns2)C1 ZINC000995211965 702700245 /nfs/dbraw/zinc/70/02/45/702700245.db2.gz OHKZULNLMWLTGM-QWHCGFSZSA-N 2 1 334.449 1.118 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H]([NH2+][C@@H](C)C(N)=O)C(C)(C)C1 ZINC000996372921 702740344 /nfs/dbraw/zinc/74/03/44/702740344.db2.gz HWKKLOZOCQHFDV-KBPBESRZSA-N 2 1 349.479 1.097 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)c(C)o1 ZINC000995216016 702743491 /nfs/dbraw/zinc/74/34/91/702743491.db2.gz VKAFGURAWXJEEB-JKSUJKDBSA-N 2 1 345.447 1.871 20 0 EDADMP CC1(C)CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccccc1 ZINC000996414013 702765034 /nfs/dbraw/zinc/76/50/34/702765034.db2.gz IJTLKNWCRWFLHQ-GOSISDBHSA-N 2 1 345.487 1.736 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996465182 702792558 /nfs/dbraw/zinc/79/25/58/702792558.db2.gz SGOJXQCNBWKETG-GOSISDBHSA-N 2 1 347.507 1.682 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCCO)CC2 ZINC001040953206 702802411 /nfs/dbraw/zinc/80/24/11/702802411.db2.gz KXCRNUKEHKIAEH-KRWDZBQOSA-N 2 1 337.508 1.558 20 0 EDADMP Cn1nccc1CC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996512071 702831401 /nfs/dbraw/zinc/83/14/01/702831401.db2.gz ABVPQRTXJWGWTH-RDJZCZTQSA-N 2 1 347.507 1.131 20 0 EDADMP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996500919 702839844 /nfs/dbraw/zinc/83/98/44/702839844.db2.gz ICTPSHHBDZKKPC-XJKSGUPXSA-N 2 1 333.436 1.025 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518602 702854042 /nfs/dbraw/zinc/85/40/42/702854042.db2.gz LXLGVSYJCFZKAA-WBVHZDCISA-N 2 1 347.507 1.397 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)no1 ZINC000996559264 702877788 /nfs/dbraw/zinc/87/77/88/702877788.db2.gz DEQACXQQICEYGM-WBMJQRKESA-N 2 1 347.463 1.361 20 0 EDADMP CCc1nocc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000996609697 702920794 /nfs/dbraw/zinc/92/07/94/702920794.db2.gz WMTOIFYRNDUWSJ-CZUORRHYSA-N 2 1 334.464 1.658 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]CCc3ccns3)C(C)(C)C2)C1 ZINC000996610006 702921167 /nfs/dbraw/zinc/92/11/67/702921167.db2.gz IVSCQZATLUISQT-ZFWWWQNUSA-N 2 1 336.505 1.464 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC000996610106 702921178 /nfs/dbraw/zinc/92/11/78/702921178.db2.gz YITSKFGIGKMWFC-RHSMWYFYSA-N 2 1 346.475 1.511 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)CCc2cnc[nH]2)CC1)c1cnccn1 ZINC000996652032 702941496 /nfs/dbraw/zinc/94/14/96/702941496.db2.gz SMDUWPCLQOPFIK-ZDUSSCGKSA-N 2 1 328.420 1.474 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nncn2C)CC1 ZINC000996664286 702966581 /nfs/dbraw/zinc/96/65/81/702966581.db2.gz UKTSOKWMSNDAJB-GOEBONIOSA-N 2 1 348.495 1.331 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000996681301 702979722 /nfs/dbraw/zinc/97/97/22/702979722.db2.gz YZPCJZMFSLLVSN-KRWDZBQOSA-N 2 1 347.507 1.764 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996692312 702989569 /nfs/dbraw/zinc/98/95/69/702989569.db2.gz XOSWPNXQSYIGFM-OAHLLOKOSA-N 2 1 337.493 1.493 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996692312 702989571 /nfs/dbraw/zinc/98/95/71/702989571.db2.gz XOSWPNXQSYIGFM-OAHLLOKOSA-N 2 1 337.493 1.493 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)n1 ZINC000996712540 703007515 /nfs/dbraw/zinc/00/75/15/703007515.db2.gz QHBOGZBDIUOELB-JKSUJKDBSA-N 2 1 347.463 1.476 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)n1 ZINC000996712540 703007519 /nfs/dbraw/zinc/00/75/19/703007519.db2.gz QHBOGZBDIUOELB-JKSUJKDBSA-N 2 1 347.463 1.476 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000996724549 703019439 /nfs/dbraw/zinc/01/94/39/703019439.db2.gz QPLZUKZMOWBBIC-AWEZNQCLSA-N 2 1 337.493 1.411 20 0 EDADMP Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000996727527 703022289 /nfs/dbraw/zinc/02/22/89/703022289.db2.gz GXGSOCPKQDGYRE-SFHVURJKSA-N 2 1 330.476 1.955 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000996731113 703028265 /nfs/dbraw/zinc/02/82/65/703028265.db2.gz UVLRNJPJTXMARQ-QGZVFWFLSA-N 2 1 334.439 1.786 20 0 EDADMP O=C(N1CCC([NH2+]Cc2csnn2)CC1)C12CCC[NH+]1CCC2 ZINC000996771836 703061993 /nfs/dbraw/zinc/06/19/93/703061993.db2.gz UZBBWANNRRDOHZ-UHFFFAOYSA-N 2 1 335.477 1.247 20 0 EDADMP CCCN1CC[NH+](C2CCC(NC(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC000996781254 703069256 /nfs/dbraw/zinc/06/92/56/703069256.db2.gz FDLDQWLOCYHVKG-UHFFFAOYSA-N 2 1 347.507 1.647 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556259 703070291 /nfs/dbraw/zinc/07/02/91/703070291.db2.gz YLKKSBNELCHIDW-DOTOQJQBSA-N 2 1 347.507 1.621 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3cnn(C)n3)CC2)C1 ZINC000996903093 703177644 /nfs/dbraw/zinc/17/76/44/703177644.db2.gz GZTOZGHYKMDTQX-HNNXBMFYSA-N 2 1 348.495 1.018 20 0 EDADMP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000996998500 703255569 /nfs/dbraw/zinc/25/55/69/703255569.db2.gz KEIAXPGXJIWBCN-CQSZACIVSA-N 2 1 348.495 1.171 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)ncn1 ZINC000997000548 703257237 /nfs/dbraw/zinc/25/72/37/703257237.db2.gz QPRGBEZPXRGYQI-UHFFFAOYSA-N 2 1 345.491 1.598 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000996996871 703260612 /nfs/dbraw/zinc/26/06/12/703260612.db2.gz AJGRCPSXFZIHOR-KGLIPLIRSA-N 2 1 349.479 1.615 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)[nH]1 ZINC000997004148 703261242 /nfs/dbraw/zinc/26/12/42/703261242.db2.gz BVDMOTSMJYBWTC-DZGCQCFKSA-N 2 1 348.495 1.206 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC([NH2+]C[C@H]3CCOC3)CC1)C2 ZINC000997011435 703271605 /nfs/dbraw/zinc/27/16/05/703271605.db2.gz VJBVLWXIFGNVPF-HZPDHXFCSA-N 2 1 346.475 1.371 20 0 EDADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCOCC2)CC1 ZINC001032700649 706738506 /nfs/dbraw/zinc/73/85/06/706738506.db2.gz VQIDJHRQSOKDAT-OALUTQOASA-N 2 1 349.519 1.820 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1)[NH+]1CCCCC1 ZINC001032404373 703423973 /nfs/dbraw/zinc/42/39/73/703423973.db2.gz FMEUUWVJSJAGLG-IKGGRYGDSA-N 2 1 335.492 1.573 20 0 EDADMP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001032411476 703451171 /nfs/dbraw/zinc/45/11/71/703451171.db2.gz QSGULFNTCZRNQS-VSZNYVQBSA-N 2 1 345.491 1.125 20 0 EDADMP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001032411476 703451173 /nfs/dbraw/zinc/45/11/73/703451173.db2.gz QSGULFNTCZRNQS-VSZNYVQBSA-N 2 1 345.491 1.125 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n1 ZINC001032411476 703451174 /nfs/dbraw/zinc/45/11/74/703451174.db2.gz QSGULFNTCZRNQS-VSZNYVQBSA-N 2 1 345.491 1.125 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n1 ZINC001032411476 703451176 /nfs/dbraw/zinc/45/11/76/703451176.db2.gz QSGULFNTCZRNQS-VSZNYVQBSA-N 2 1 345.491 1.125 20 0 EDADMP COc1ccnc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000997184097 703469682 /nfs/dbraw/zinc/46/96/82/703469682.db2.gz MHWKAYUTZHLPDN-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1csc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997184974 703473993 /nfs/dbraw/zinc/47/39/93/703473993.db2.gz OEXKQMMSLBQQAQ-AWEZNQCLSA-N 2 1 336.505 1.874 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3nc(C4CCC4)no3)CC2)C1 ZINC000997296693 703555342 /nfs/dbraw/zinc/55/53/42/703555342.db2.gz BBTDOLLVVVFIOO-AWEZNQCLSA-N 2 1 347.463 1.369 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3nc(C4CCC4)no3)CC2)C1 ZINC000997296693 703555344 /nfs/dbraw/zinc/55/53/44/703555344.db2.gz BBTDOLLVVVFIOO-AWEZNQCLSA-N 2 1 347.463 1.369 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997297926 703556107 /nfs/dbraw/zinc/55/61/07/703556107.db2.gz HLCDMGANHMVKAF-CYBMUJFWSA-N 2 1 335.452 1.225 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997297926 703556109 /nfs/dbraw/zinc/55/61/09/703556109.db2.gz HLCDMGANHMVKAF-CYBMUJFWSA-N 2 1 335.452 1.225 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC000997345131 703575253 /nfs/dbraw/zinc/57/52/53/703575253.db2.gz WHLUFYCRHHCZKQ-SFHVURJKSA-N 2 1 349.519 1.868 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC000997345131 703575254 /nfs/dbraw/zinc/57/52/54/703575254.db2.gz WHLUFYCRHHCZKQ-SFHVURJKSA-N 2 1 349.519 1.868 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000997361532 703595505 /nfs/dbraw/zinc/59/55/05/703595505.db2.gz VZWYTHVUOIENMS-BETUJISGSA-N 2 1 337.493 1.492 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000997361532 703595507 /nfs/dbraw/zinc/59/55/07/703595507.db2.gz VZWYTHVUOIENMS-BETUJISGSA-N 2 1 337.493 1.492 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)no1 ZINC000997366225 703600185 /nfs/dbraw/zinc/60/01/85/703600185.db2.gz ZGLGZDPPPGVILY-CQSZACIVSA-N 2 1 349.479 1.896 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000997366453 703600574 /nfs/dbraw/zinc/60/05/74/703600574.db2.gz BGGBKNHMYRYZRB-GOSISDBHSA-N 2 1 347.507 1.684 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000997370721 703603459 /nfs/dbraw/zinc/60/34/59/703603459.db2.gz FGPGFNWUEVERPY-QFBILLFUSA-N 2 1 345.487 1.906 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000997370718 703603517 /nfs/dbraw/zinc/60/35/17/703603517.db2.gz FGPGFNWUEVERPY-LPHOPBHVSA-N 2 1 345.487 1.906 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000997422741 703671183 /nfs/dbraw/zinc/67/11/83/703671183.db2.gz YTGLYVUZJHJTBN-WBVHZDCISA-N 2 1 333.480 1.052 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(C)(C)C2)O1 ZINC001032473536 703689767 /nfs/dbraw/zinc/68/97/67/703689767.db2.gz RYJFOHKKINVFKO-BSWAZPDLSA-N 2 1 335.492 1.427 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(C)(C)C2)O1 ZINC001032473536 703689768 /nfs/dbraw/zinc/68/97/68/703689768.db2.gz RYJFOHKKINVFKO-BSWAZPDLSA-N 2 1 335.492 1.427 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(C)(C)C2)O1 ZINC001032473536 703689770 /nfs/dbraw/zinc/68/97/70/703689770.db2.gz RYJFOHKKINVFKO-BSWAZPDLSA-N 2 1 335.492 1.427 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(C)(C)C2)O1 ZINC001032473536 703689772 /nfs/dbraw/zinc/68/97/72/703689772.db2.gz RYJFOHKKINVFKO-BSWAZPDLSA-N 2 1 335.492 1.427 20 0 EDADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)s1 ZINC000922527817 703925140 /nfs/dbraw/zinc/92/51/40/703925140.db2.gz YIEREKKYLWOIEN-UONOGXRCSA-N 2 1 326.535 1.874 20 0 EDADMP CC(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997635412 703936913 /nfs/dbraw/zinc/93/69/13/703936913.db2.gz GWJKGNYFSXLIBG-HLLBOEOZSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997635412 703936917 /nfs/dbraw/zinc/93/69/17/703936917.db2.gz GWJKGNYFSXLIBG-HLLBOEOZSA-N 2 1 325.497 1.578 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995550579 703954506 /nfs/dbraw/zinc/95/45/06/703954506.db2.gz JUZJEFKWIJSGDQ-CVEARBPZSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC000999293501 706790828 /nfs/dbraw/zinc/79/08/28/706790828.db2.gz MFRJYLDAHMGJJN-UJHNXHIOSA-N 2 1 335.452 1.187 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)o1 ZINC000999293501 706790831 /nfs/dbraw/zinc/79/08/31/706790831.db2.gz MFRJYLDAHMGJJN-UJHNXHIOSA-N 2 1 335.452 1.187 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001033082290 704139181 /nfs/dbraw/zinc/13/91/81/704139181.db2.gz PWLFUSFQZHSEQQ-OALUTQOASA-N 2 1 342.487 1.765 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001033092809 704169441 /nfs/dbraw/zinc/16/94/41/704169441.db2.gz VOLXQTMMKLIOAP-OWCLPIDISA-N 2 1 348.491 1.918 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001033092809 704169444 /nfs/dbraw/zinc/16/94/44/704169444.db2.gz VOLXQTMMKLIOAP-OWCLPIDISA-N 2 1 348.491 1.918 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001033092809 704169447 /nfs/dbraw/zinc/16/94/47/704169447.db2.gz VOLXQTMMKLIOAP-OWCLPIDISA-N 2 1 348.491 1.918 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001033092809 704169450 /nfs/dbraw/zinc/16/94/50/704169450.db2.gz VOLXQTMMKLIOAP-OWCLPIDISA-N 2 1 348.491 1.918 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC000999303999 706797733 /nfs/dbraw/zinc/79/77/33/706797733.db2.gz JRAJNPZCCONLKN-DLBZAZTESA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC000999303999 706797734 /nfs/dbraw/zinc/79/77/34/706797734.db2.gz JRAJNPZCCONLKN-DLBZAZTESA-N 2 1 345.491 1.740 20 0 EDADMP CC(C)=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001004382181 704361069 /nfs/dbraw/zinc/36/10/69/704361069.db2.gz VMEDZYULFZNSJS-MOPGFXCFSA-N 2 1 349.519 1.986 20 0 EDADMP CC(C)=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001004382181 704361070 /nfs/dbraw/zinc/36/10/70/704361070.db2.gz VMEDZYULFZNSJS-MOPGFXCFSA-N 2 1 349.519 1.986 20 0 EDADMP CC(C)=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004382181 704361073 /nfs/dbraw/zinc/36/10/73/704361073.db2.gz VMEDZYULFZNSJS-MOPGFXCFSA-N 2 1 349.519 1.986 20 0 EDADMP CC(C)=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004382181 704361076 /nfs/dbraw/zinc/36/10/76/704361076.db2.gz VMEDZYULFZNSJS-MOPGFXCFSA-N 2 1 349.519 1.986 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2CC)C1 ZINC000999306585 706811480 /nfs/dbraw/zinc/81/14/80/706811480.db2.gz JROSQYICMSBWNS-HZPDHXFCSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2CC)C1 ZINC000999306585 706811481 /nfs/dbraw/zinc/81/14/81/706811481.db2.gz JROSQYICMSBWNS-HZPDHXFCSA-N 2 1 348.495 1.253 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004456852 704450244 /nfs/dbraw/zinc/45/02/44/704450244.db2.gz INTKRFWWSGIFQM-DLBZAZTESA-N 2 1 346.475 1.456 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004456852 704450245 /nfs/dbraw/zinc/45/02/45/704450245.db2.gz INTKRFWWSGIFQM-DLBZAZTESA-N 2 1 346.475 1.456 20 0 EDADMP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995610153 704576022 /nfs/dbraw/zinc/57/60/22/704576022.db2.gz YKBMNXXFODFOAV-SJORKVTESA-N 2 1 346.475 1.047 20 0 EDADMP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995610153 704576024 /nfs/dbraw/zinc/57/60/24/704576024.db2.gz YKBMNXXFODFOAV-SJORKVTESA-N 2 1 346.475 1.047 20 0 EDADMP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032537593 704579653 /nfs/dbraw/zinc/57/96/53/704579653.db2.gz CDOJSMQRWAUTSD-IRXDYDNUSA-N 2 1 331.460 1.336 20 0 EDADMP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032537593 704579654 /nfs/dbraw/zinc/57/96/54/704579654.db2.gz CDOJSMQRWAUTSD-IRXDYDNUSA-N 2 1 331.460 1.336 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1ccccn1 ZINC000947934203 704608539 /nfs/dbraw/zinc/60/85/39/704608539.db2.gz JQGYNZLNNVUUIA-JKSUJKDBSA-N 2 1 328.460 1.647 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CC3CCOCC3)CC2)CC[N@H+]1C ZINC000997792619 704701198 /nfs/dbraw/zinc/70/11/98/704701198.db2.gz JADZOJGRGOZYOT-CRAIPNDOSA-N 2 1 337.508 1.581 20 0 EDADMP O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000997804389 704716260 /nfs/dbraw/zinc/71/62/60/704716260.db2.gz RFMMPICOXUVYEN-RBUKOAKNSA-N 2 1 349.519 1.868 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nc(C)no2)CC1 ZINC000997819963 704740960 /nfs/dbraw/zinc/74/09/60/704740960.db2.gz FQAYHFIVTQLBCU-INIZCTEOSA-N 2 1 349.479 1.581 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nc(C)no2)CC1 ZINC000997819963 704740961 /nfs/dbraw/zinc/74/09/61/704740961.db2.gz FQAYHFIVTQLBCU-INIZCTEOSA-N 2 1 349.479 1.581 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1 ZINC000997822206 704741856 /nfs/dbraw/zinc/74/18/56/704741856.db2.gz RNXWKKVLZUBBAG-GOSISDBHSA-N 2 1 347.507 1.623 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000997864360 704770926 /nfs/dbraw/zinc/77/09/26/704770926.db2.gz FXSFACPGGJFCAN-HNNXBMFYSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000997864360 704770930 /nfs/dbraw/zinc/77/09/30/704770930.db2.gz FXSFACPGGJFCAN-HNNXBMFYSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)C[C@@H]1C ZINC000944964915 704833293 /nfs/dbraw/zinc/83/32/93/704833293.db2.gz NCJYKANUFDQBLA-YJBOKZPZSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)C[C@@H]1C ZINC000944964915 704833300 /nfs/dbraw/zinc/83/33/00/704833300.db2.gz NCJYKANUFDQBLA-YJBOKZPZSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1nccn1CC(=O)N[C@H]1CC[N@H+](Cc2cnccc2C)C[C@@H]1C ZINC000944966388 704838919 /nfs/dbraw/zinc/83/89/19/704838919.db2.gz YYKUARAPMGLDMS-YJBOKZPZSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cnccc2C)C[C@@H]1C ZINC000944966388 704838925 /nfs/dbraw/zinc/83/89/25/704838925.db2.gz YYKUARAPMGLDMS-YJBOKZPZSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000997913510 704974016 /nfs/dbraw/zinc/97/40/16/704974016.db2.gz AAZQFKVTYNNVBZ-UHFFFAOYSA-N 2 1 345.422 1.754 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000998077428 705297688 /nfs/dbraw/zinc/29/76/88/705297688.db2.gz FVCMGCJSEFQFLY-OCCSQVGLSA-N 2 1 337.493 1.064 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1)c1ncccn1 ZINC000998080929 705300206 /nfs/dbraw/zinc/30/02/06/705300206.db2.gz GANDZROZJOGLGV-HOTGVXAUSA-N 2 1 345.491 1.708 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000998154236 705430444 /nfs/dbraw/zinc/43/04/44/705430444.db2.gz SUJKRWILKOAWAV-UHFFFAOYSA-N 2 1 337.508 1.727 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](Cc2cncn2C)CC1 ZINC000998191836 705500222 /nfs/dbraw/zinc/50/02/22/705500222.db2.gz VCYUMLCKPHIPAQ-SJORKVTESA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](Cc2cncn2C)CC1 ZINC000998191836 705500226 /nfs/dbraw/zinc/50/02/26/705500226.db2.gz VCYUMLCKPHIPAQ-SJORKVTESA-N 2 1 347.507 1.575 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000998266049 705638221 /nfs/dbraw/zinc/63/82/21/705638221.db2.gz OOFDEAVYAHCASJ-WFASDCNBSA-N 2 1 335.452 1.219 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000998266049 705638224 /nfs/dbraw/zinc/63/82/24/705638224.db2.gz OOFDEAVYAHCASJ-WFASDCNBSA-N 2 1 335.452 1.219 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000998267298 705642185 /nfs/dbraw/zinc/64/21/85/705642185.db2.gz VXMAEFZJBYTYQU-DOTOQJQBSA-N 2 1 345.491 1.626 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001032627667 705736963 /nfs/dbraw/zinc/73/69/63/705736963.db2.gz DLFSILMIBRSXDU-KBMXLJTQSA-N 2 1 348.516 1.621 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001032627667 705736964 /nfs/dbraw/zinc/73/69/64/705736964.db2.gz DLFSILMIBRSXDU-KBMXLJTQSA-N 2 1 348.516 1.621 20 0 EDADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001032627667 705736966 /nfs/dbraw/zinc/73/69/66/705736966.db2.gz DLFSILMIBRSXDU-KBMXLJTQSA-N 2 1 348.516 1.621 20 0 EDADMP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001032627667 705736968 /nfs/dbraw/zinc/73/69/68/705736968.db2.gz DLFSILMIBRSXDU-KBMXLJTQSA-N 2 1 348.516 1.621 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)c1ccc(F)cc1)[NH+](C)C ZINC001032633879 705866154 /nfs/dbraw/zinc/86/61/54/705866154.db2.gz YYHKDEFQQUEQTM-XLAORIBOSA-N 2 1 349.450 1.484 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)c1ccc(F)cc1)[NH+](C)C ZINC001032633879 705866158 /nfs/dbraw/zinc/86/61/58/705866158.db2.gz YYHKDEFQQUEQTM-XLAORIBOSA-N 2 1 349.450 1.484 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(N(C)C)c1)[NH+](C)C ZINC001032634046 705871116 /nfs/dbraw/zinc/87/11/16/705871116.db2.gz DHIAZRDBVPTQBS-FHWLQOOXSA-N 2 1 344.503 1.878 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(N(C)C)c1)[NH+](C)C ZINC001032634046 705871123 /nfs/dbraw/zinc/87/11/23/705871123.db2.gz DHIAZRDBVPTQBS-FHWLQOOXSA-N 2 1 344.503 1.878 20 0 EDADMP Cc1cccc(NCCNC(=O)NCCN2CCC([NH+](C)C)CC2)[nH+]1 ZINC000921667618 705969013 /nfs/dbraw/zinc/96/90/13/705969013.db2.gz RRANEBVZRRIZDZ-UHFFFAOYSA-N 2 1 348.495 1.127 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998735039 706168900 /nfs/dbraw/zinc/16/89/00/706168900.db2.gz YKQNBFBTVJTVPO-ROUUACIJSA-N 2 1 347.507 1.947 20 0 EDADMP Cc1cc(F)ccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998831035 706261123 /nfs/dbraw/zinc/26/11/23/706261123.db2.gz YVQNPNMBZYUTOT-ROUUACIJSA-N 2 1 349.450 1.545 20 0 EDADMP Cc1cc(F)ccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998831035 706261126 /nfs/dbraw/zinc/26/11/26/706261126.db2.gz YVQNPNMBZYUTOT-ROUUACIJSA-N 2 1 349.450 1.545 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(CC)n2)C1 ZINC000998868759 706290414 /nfs/dbraw/zinc/29/04/14/706290414.db2.gz YSPFQAXTWDXUBU-PREGVCBESA-N 2 1 348.495 1.251 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(CC)n2)C1 ZINC000998868759 706290417 /nfs/dbraw/zinc/29/04/17/706290417.db2.gz YSPFQAXTWDXUBU-PREGVCBESA-N 2 1 348.495 1.251 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnns2)C1 ZINC000998867277 706296823 /nfs/dbraw/zinc/29/68/23/706296823.db2.gz PHPRHIAIEMZBNX-PIMMBPRGSA-N 2 1 337.493 1.492 20 0 EDADMP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000998986368 706418186 /nfs/dbraw/zinc/41/81/86/706418186.db2.gz FRRJCYGPCIUZHD-AGERRDQYSA-N 2 1 346.475 1.188 20 0 EDADMP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000998986368 706418188 /nfs/dbraw/zinc/41/81/88/706418188.db2.gz FRRJCYGPCIUZHD-AGERRDQYSA-N 2 1 346.475 1.188 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999050879 706471444 /nfs/dbraw/zinc/47/14/44/706471444.db2.gz NIDXIHJPSNWVRE-UHFFFAOYSA-N 2 1 333.436 1.085 20 0 EDADMP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)c1 ZINC000999126625 706528839 /nfs/dbraw/zinc/52/88/39/706528839.db2.gz OVAKIGIKVMUUEX-UHFFFAOYSA-N 2 1 343.431 1.374 20 0 EDADMP CCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999142870 706555986 /nfs/dbraw/zinc/55/59/86/706555986.db2.gz COJOKDAUIKWMGC-HZPDHXFCSA-N 2 1 348.495 1.251 20 0 EDADMP CCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999142870 706555989 /nfs/dbraw/zinc/55/59/89/706555989.db2.gz COJOKDAUIKWMGC-HZPDHXFCSA-N 2 1 348.495 1.251 20 0 EDADMP CCn1nncc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999144723 706558062 /nfs/dbraw/zinc/55/80/62/706558062.db2.gz MURPSPDONKOUAD-NVXWUHKLSA-N 2 1 348.495 1.251 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000999145000 706558889 /nfs/dbraw/zinc/55/88/89/706558889.db2.gz NVHPYWSRMIMVSK-WBVHZDCISA-N 2 1 333.480 1.374 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999146958 706560500 /nfs/dbraw/zinc/56/05/00/706560500.db2.gz ZDLTYMSSEQKLLY-IRXDYDNUSA-N 2 1 334.464 1.936 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC000999347870 706859625 /nfs/dbraw/zinc/85/96/25/706859625.db2.gz MHKBTRFVHOCPTE-LSDHHAIUSA-N 2 1 335.452 1.128 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC000999347870 706859629 /nfs/dbraw/zinc/85/96/29/706859629.db2.gz MHKBTRFVHOCPTE-LSDHHAIUSA-N 2 1 335.452 1.128 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ncccn1 ZINC000999373197 706868107 /nfs/dbraw/zinc/86/81/07/706868107.db2.gz GRZZFGSGDTWNBU-HUUCEWRRSA-N 2 1 331.464 1.603 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ncccn1 ZINC000999373197 706868108 /nfs/dbraw/zinc/86/81/08/706868108.db2.gz GRZZFGSGDTWNBU-HUUCEWRRSA-N 2 1 331.464 1.603 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999365668 706879423 /nfs/dbraw/zinc/87/94/23/706879423.db2.gz QVBCUKJTIVMIKJ-OAHLLOKOSA-N 2 1 348.495 1.171 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999365668 706879428 /nfs/dbraw/zinc/87/94/28/706879428.db2.gz QVBCUKJTIVMIKJ-OAHLLOKOSA-N 2 1 348.495 1.171 20 0 EDADMP COc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC000999366080 706879865 /nfs/dbraw/zinc/87/98/65/706879865.db2.gz USPQGGAUNXMOSN-OAHLLOKOSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999397933 706892261 /nfs/dbraw/zinc/89/22/61/706892261.db2.gz AJXWCFSGTCVNGA-ROUUACIJSA-N 2 1 347.507 1.684 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)nn1C ZINC000999403459 706912230 /nfs/dbraw/zinc/91/22/30/706912230.db2.gz PFJIRZQTUMTKCK-UHFFFAOYSA-N 2 1 347.507 1.539 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999403519 706912272 /nfs/dbraw/zinc/91/22/72/706912272.db2.gz QOPWRHLAIAIFOA-GTPINHCMSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999405776 706915230 /nfs/dbraw/zinc/91/52/30/706915230.db2.gz IFTZHXVQSYNSGF-LRVUVFPRSA-N 2 1 347.463 1.510 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999405776 706915232 /nfs/dbraw/zinc/91/52/32/706915232.db2.gz IFTZHXVQSYNSGF-LRVUVFPRSA-N 2 1 347.463 1.510 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000999407424 706917186 /nfs/dbraw/zinc/91/71/86/706917186.db2.gz UUCBCIVDXUAGQK-NVPAJSRCSA-N 2 1 334.439 1.784 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2cncs2)C1 ZINC000999410306 706920158 /nfs/dbraw/zinc/92/01/58/706920158.db2.gz UYANTKSXMXWQHY-UHFFFAOYSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC000999490028 707026435 /nfs/dbraw/zinc/02/64/35/707026435.db2.gz NRCLULJVLSOUHQ-MRXNPFEDSA-N 2 1 346.475 1.940 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000999572329 707078374 /nfs/dbraw/zinc/07/83/74/707078374.db2.gz CQWUVMAJYGASPX-WMZOPIPTSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999572914 707079304 /nfs/dbraw/zinc/07/93/04/707079304.db2.gz GGJXRKYRQFJDDC-MSOLQXFVSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999595686 707098707 /nfs/dbraw/zinc/09/87/07/707098707.db2.gz HYKTVLWZVGOLFE-OAHLLOKOSA-N 2 1 332.448 1.692 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)[nH]1 ZINC000999597501 707100254 /nfs/dbraw/zinc/10/02/54/707100254.db2.gz PQOQYXGPZVWILS-HIFRSBDPSA-N 2 1 346.479 1.383 20 0 EDADMP CN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033255346 707244617 /nfs/dbraw/zinc/24/46/17/707244617.db2.gz KAUJWPSXNAAFBT-HNNXBMFYSA-N 2 1 331.395 1.773 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]CCc2ccns2)C1 ZINC000999689990 707246303 /nfs/dbraw/zinc/24/63/03/707246303.db2.gz UGFVQZPVTNFJIL-WLYUNCDWSA-N 2 1 336.505 1.606 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)cc1 ZINC000999714902 707252487 /nfs/dbraw/zinc/25/24/87/707252487.db2.gz QXBSITYOCOJWSS-QGZVFWFLSA-N 2 1 342.443 1.981 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000999727528 707270370 /nfs/dbraw/zinc/27/03/70/707270370.db2.gz QCEUFXNQFSPPTQ-QZTJIDSGSA-N 2 1 348.491 1.713 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033181994 707340996 /nfs/dbraw/zinc/34/09/96/707340996.db2.gz LGXFMDPZJVXPDA-QGZVFWFLSA-N 2 1 345.491 1.292 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)no1 ZINC000999791257 707362563 /nfs/dbraw/zinc/36/25/63/707362563.db2.gz JYJMECGGXZKKQA-AEFFLSMTSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1ccncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033196719 707411263 /nfs/dbraw/zinc/41/12/63/707411263.db2.gz FMYIZCNLXLQIRZ-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033196719 707411267 /nfs/dbraw/zinc/41/12/67/707411267.db2.gz FMYIZCNLXLQIRZ-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ccncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033196719 707411271 /nfs/dbraw/zinc/41/12/71/707411271.db2.gz FMYIZCNLXLQIRZ-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ccncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033196719 707411274 /nfs/dbraw/zinc/41/12/74/707411274.db2.gz FMYIZCNLXLQIRZ-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001033308215 707472813 /nfs/dbraw/zinc/47/28/13/707472813.db2.gz FHUJAZLPBAGXQJ-RHSMWYFYSA-N 2 1 328.416 1.399 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033318346 707511078 /nfs/dbraw/zinc/51/10/78/707511078.db2.gz ICCXQOBPHOBPRP-QGZVFWFLSA-N 2 1 330.476 1.989 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033318346 707511083 /nfs/dbraw/zinc/51/10/83/707511083.db2.gz ICCXQOBPHOBPRP-QGZVFWFLSA-N 2 1 330.476 1.989 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)co1 ZINC000999876521 707524047 /nfs/dbraw/zinc/52/40/47/707524047.db2.gz OFBDSJXUJLJITB-OAHLLOKOSA-N 2 1 334.464 1.938 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001033357807 707676510 /nfs/dbraw/zinc/67/65/10/707676510.db2.gz KMJQZLVUGXEJGD-ROUUACIJSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001033357807 707676512 /nfs/dbraw/zinc/67/65/12/707676512.db2.gz KMJQZLVUGXEJGD-ROUUACIJSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001033357807 707676516 /nfs/dbraw/zinc/67/65/16/707676516.db2.gz KMJQZLVUGXEJGD-ROUUACIJSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001033357807 707676520 /nfs/dbraw/zinc/67/65/20/707676520.db2.gz KMJQZLVUGXEJGD-ROUUACIJSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCOC3CCC3)C2)CC[N@H+]1C ZINC001033357896 707677038 /nfs/dbraw/zinc/67/70/38/707677038.db2.gz DANRWVJTQAUPDS-YESZJQIVSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCOC3CCC3)C2)CC[NH+]1C ZINC001033357896 707677041 /nfs/dbraw/zinc/67/70/41/707677041.db2.gz DANRWVJTQAUPDS-YESZJQIVSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCOC3CCC3)C2)CC[NH+]1C ZINC001033357896 707677046 /nfs/dbraw/zinc/67/70/46/707677046.db2.gz DANRWVJTQAUPDS-YESZJQIVSA-N 2 1 337.508 1.819 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033396464 707735155 /nfs/dbraw/zinc/73/51/55/707735155.db2.gz NUCBDZACHBYPIR-OAHLLOKOSA-N 2 1 329.435 1.906 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCOC1 ZINC001032736569 707750257 /nfs/dbraw/zinc/75/02/57/707750257.db2.gz UDADSDVIDIABAK-KKUMJFAQSA-N 2 1 330.432 1.083 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCOC1 ZINC001032736569 707750259 /nfs/dbraw/zinc/75/02/59/707750259.db2.gz UDADSDVIDIABAK-KKUMJFAQSA-N 2 1 330.432 1.083 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001000184582 707819284 /nfs/dbraw/zinc/81/92/84/707819284.db2.gz NXWWWCFBEDSXLV-ZBFHGGJFSA-N 2 1 348.495 1.171 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001000184582 707819286 /nfs/dbraw/zinc/81/92/86/707819286.db2.gz NXWWWCFBEDSXLV-ZBFHGGJFSA-N 2 1 348.495 1.171 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1 ZINC001033420708 707831954 /nfs/dbraw/zinc/83/19/54/707831954.db2.gz RXYDRKAUNCZISX-QAPCUYQASA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC001033420708 707831958 /nfs/dbraw/zinc/83/19/58/707831958.db2.gz RXYDRKAUNCZISX-QAPCUYQASA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cncc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)c1 ZINC001033420708 707831963 /nfs/dbraw/zinc/83/19/63/707831963.db2.gz RXYDRKAUNCZISX-QAPCUYQASA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)c1 ZINC001033420708 707831965 /nfs/dbraw/zinc/83/19/65/707831965.db2.gz RXYDRKAUNCZISX-QAPCUYQASA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cnc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)o1 ZINC001004983340 707864371 /nfs/dbraw/zinc/86/43/71/707864371.db2.gz RIQWEERUQLQVKJ-JKSUJKDBSA-N 2 1 346.475 1.938 20 0 EDADMP Cn1cncc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCOC1 ZINC001032759531 707869523 /nfs/dbraw/zinc/86/95/23/707869523.db2.gz RFNNLBIUPVXWAP-PVAVHDDUSA-N 2 1 332.448 1.064 20 0 EDADMP CC[C@H](C[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1)OC ZINC001033229551 707884424 /nfs/dbraw/zinc/88/44/24/707884424.db2.gz CHBICBIHRHICSZ-DOTOQJQBSA-N 2 1 330.432 1.906 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033230109 707889856 /nfs/dbraw/zinc/88/98/56/707889856.db2.gz ZJMZWWKLYHQGCH-MRXNPFEDSA-N 2 1 331.464 1.081 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033230109 707889860 /nfs/dbraw/zinc/88/98/60/707889860.db2.gz ZJMZWWKLYHQGCH-MRXNPFEDSA-N 2 1 331.464 1.081 20 0 EDADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1)[NH+]1CCCCCC1 ZINC001033465993 707922895 /nfs/dbraw/zinc/92/28/95/707922895.db2.gz BGQXTGYUHWGYCU-WMZOPIPTSA-N 2 1 347.507 1.717 20 0 EDADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1)[NH+]1CCCCCC1 ZINC001033465993 707922896 /nfs/dbraw/zinc/92/28/96/707922896.db2.gz BGQXTGYUHWGYCU-WMZOPIPTSA-N 2 1 347.507 1.717 20 0 EDADMP CCc1noc(C)c1CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C ZINC001032782720 707976086 /nfs/dbraw/zinc/97/60/86/707976086.db2.gz JRVJIQWIHSYJCD-GJZGRUSLSA-N 2 1 343.431 1.536 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2(C3CC[NH+](C[C@H]4CCCCO4)CC3)CC2)C1 ZINC001000334288 707985880 /nfs/dbraw/zinc/98/58/80/707985880.db2.gz UPIGGHYCMDQFDJ-FUHWJXTLSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1nc2c([nH]1)CC[C@@H](C(=O)NCC1=CC[N@H+](CC3CC3)CC1)C2 ZINC001000872208 708072136 /nfs/dbraw/zinc/07/21/36/708072136.db2.gz SPZQXNBNRMGWPY-MRXNPFEDSA-N 2 1 328.460 1.981 20 0 EDADMP Cc1nc2c([nH]1)CC[C@@H](C(=O)NCC1=CC[N@@H+](CC3CC3)CC1)C2 ZINC001000872208 708072137 /nfs/dbraw/zinc/07/21/37/708072137.db2.gz SPZQXNBNRMGWPY-MRXNPFEDSA-N 2 1 328.460 1.981 20 0 EDADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@@H]1CCOC1 ZINC001032800815 708083757 /nfs/dbraw/zinc/08/37/57/708083757.db2.gz AYZDCHBPDGQTCQ-QYZOEREBSA-N 2 1 349.519 1.964 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CC[NH+](Cc2ccns2)CC1 ZINC001001150254 708107640 /nfs/dbraw/zinc/10/76/40/708107640.db2.gz FHABWHKWQIDTCT-XJKSGUPXSA-N 2 1 334.489 1.589 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CC[NH+](Cc2ccns2)CC1 ZINC001001150254 708107641 /nfs/dbraw/zinc/10/76/41/708107641.db2.gz FHABWHKWQIDTCT-XJKSGUPXSA-N 2 1 334.489 1.589 20 0 EDADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCC1=CC[N@H+](Cc2ccns2)CC1 ZINC001001150254 708107644 /nfs/dbraw/zinc/10/76/44/708107644.db2.gz FHABWHKWQIDTCT-XJKSGUPXSA-N 2 1 334.489 1.589 20 0 EDADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCC1=CC[N@@H+](Cc2ccns2)CC1 ZINC001001150254 708107645 /nfs/dbraw/zinc/10/76/45/708107645.db2.gz FHABWHKWQIDTCT-XJKSGUPXSA-N 2 1 334.489 1.589 20 0 EDADMP COc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)ccn1 ZINC001005179932 708122781 /nfs/dbraw/zinc/12/27/81/708122781.db2.gz PBZRLFMLUZBJPB-QGZVFWFLSA-N 2 1 346.475 1.607 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)no1 ZINC001001833521 708359761 /nfs/dbraw/zinc/35/97/61/708359761.db2.gz MNZUKTSAZMIAAD-SUMWQHHRSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)no1 ZINC001001833521 708359765 /nfs/dbraw/zinc/35/97/65/708359765.db2.gz MNZUKTSAZMIAAD-SUMWQHHRSA-N 2 1 334.464 1.509 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC001033654379 708422135 /nfs/dbraw/zinc/42/21/35/708422135.db2.gz ATANYXACTYKGKH-ROUUACIJSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC001033654379 708422139 /nfs/dbraw/zinc/42/21/39/708422139.db2.gz ATANYXACTYKGKH-ROUUACIJSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC001033654379 708422142 /nfs/dbraw/zinc/42/21/42/708422142.db2.gz ATANYXACTYKGKH-ROUUACIJSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001033663964 708444813 /nfs/dbraw/zinc/44/48/13/708444813.db2.gz AVKCAAJJDYRQHT-MSOLQXFVSA-N 2 1 349.450 1.488 20 0 EDADMP Cc1ncsc1CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033668534 708457304 /nfs/dbraw/zinc/45/73/04/708457304.db2.gz NHUXOYXZVXESMH-OAHLLOKOSA-N 2 1 347.488 1.732 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033668534 708457306 /nfs/dbraw/zinc/45/73/06/708457306.db2.gz NHUXOYXZVXESMH-OAHLLOKOSA-N 2 1 347.488 1.732 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033686711 708501776 /nfs/dbraw/zinc/50/17/76/708501776.db2.gz SDCHSJKFYHDTIT-NVXWUHKLSA-N 2 1 333.476 1.929 20 0 EDADMP Cc1cnc([C@H](C)N2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002120617 708634206 /nfs/dbraw/zinc/63/42/06/708634206.db2.gz JSXPDTMPRMKKQL-GOEBONIOSA-N 2 1 334.464 1.824 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002120617 708634210 /nfs/dbraw/zinc/63/42/10/708634210.db2.gz JSXPDTMPRMKKQL-GOEBONIOSA-N 2 1 334.464 1.824 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002120617 708634213 /nfs/dbraw/zinc/63/42/13/708634213.db2.gz JSXPDTMPRMKKQL-GOEBONIOSA-N 2 1 334.464 1.824 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)sn1 ZINC001002127645 708643583 /nfs/dbraw/zinc/64/35/83/708643583.db2.gz UKAVNYQNPFYMEE-HNNXBMFYSA-N 2 1 336.505 1.731 20 0 EDADMP CCN(C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033837027 708864834 /nfs/dbraw/zinc/86/48/34/708864834.db2.gz FIQNPNCHVQCOAL-PBHICJAKSA-N 2 1 349.479 1.095 20 0 EDADMP CCN(C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033837027 708864836 /nfs/dbraw/zinc/86/48/36/708864836.db2.gz FIQNPNCHVQCOAL-PBHICJAKSA-N 2 1 349.479 1.095 20 0 EDADMP CCN(C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033837027 708864838 /nfs/dbraw/zinc/86/48/38/708864838.db2.gz FIQNPNCHVQCOAL-PBHICJAKSA-N 2 1 349.479 1.095 20 0 EDADMP CCN(C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033837027 708864840 /nfs/dbraw/zinc/86/48/40/708864840.db2.gz FIQNPNCHVQCOAL-PBHICJAKSA-N 2 1 349.479 1.095 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033878293 708948300 /nfs/dbraw/zinc/94/83/00/708948300.db2.gz IYCBBJNWYCHOIO-INIZCTEOSA-N 2 1 330.432 1.562 20 0 EDADMP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC001033885975 708992897 /nfs/dbraw/zinc/99/28/97/708992897.db2.gz CKYLJJVCHHUBMJ-GDBMZVCRSA-N 2 1 330.432 1.906 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001002474193 709008756 /nfs/dbraw/zinc/00/87/56/709008756.db2.gz ITSWHVYOBWEISE-SFHVURJKSA-N 2 1 347.507 1.947 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC001033897638 709017548 /nfs/dbraw/zinc/01/75/48/709017548.db2.gz MUXHWSREJZOQFO-PBHICJAKSA-N 2 1 330.432 1.906 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC001033897642 709017601 /nfs/dbraw/zinc/01/76/01/709017601.db2.gz MUXHWSREJZOQFO-YOEHRIQHSA-N 2 1 330.432 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033906360 709036334 /nfs/dbraw/zinc/03/63/34/709036334.db2.gz OCWBLVWAQBQGDN-NNVNDSJASA-N 2 1 349.519 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001033906360 709036338 /nfs/dbraw/zinc/03/63/38/709036338.db2.gz OCWBLVWAQBQGDN-NNVNDSJASA-N 2 1 349.519 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001033906360 709036342 /nfs/dbraw/zinc/03/63/42/709036342.db2.gz OCWBLVWAQBQGDN-NNVNDSJASA-N 2 1 349.519 1.819 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001032826436 709092854 /nfs/dbraw/zinc/09/28/54/709092854.db2.gz NXUIMWDDMFPMEV-GBESFXJTSA-N 2 1 345.487 1.783 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001032826436 709092856 /nfs/dbraw/zinc/09/28/56/709092856.db2.gz NXUIMWDDMFPMEV-GBESFXJTSA-N 2 1 345.487 1.783 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001032826436 709092858 /nfs/dbraw/zinc/09/28/58/709092858.db2.gz NXUIMWDDMFPMEV-GBESFXJTSA-N 2 1 345.487 1.783 20 0 EDADMP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033983248 709192270 /nfs/dbraw/zinc/19/22/70/709192270.db2.gz NWNLLWQIBRZPKS-INIZCTEOSA-N 2 1 339.459 1.341 20 0 EDADMP CCN(C(=O)c1cc(-n2ccnc2)ccn1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034008731 709219360 /nfs/dbraw/zinc/21/93/60/709219360.db2.gz BRYGHUNMLAGSRU-GOEBONIOSA-N 2 1 343.431 1.185 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2CC[NH+](C[C@H](C)O)CC2)C1 ZINC001005496963 709231147 /nfs/dbraw/zinc/23/11/47/709231147.db2.gz KAEJZVTVAQBUKY-JKSUJKDBSA-N 2 1 325.497 1.268 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1CC[NH+](CCCO)CC1 ZINC001005503922 709328762 /nfs/dbraw/zinc/32/87/62/709328762.db2.gz LLZNPWOGZRKPJY-KRWDZBQOSA-N 2 1 325.497 1.555 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001002793088 709401168 /nfs/dbraw/zinc/40/11/68/709401168.db2.gz RJGOEEKTYQVGBQ-KRWDZBQOSA-N 2 1 333.480 1.374 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001002793088 709401171 /nfs/dbraw/zinc/40/11/71/709401171.db2.gz RJGOEEKTYQVGBQ-KRWDZBQOSA-N 2 1 333.480 1.374 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCCC3)C2)C1 ZINC001034148296 709419589 /nfs/dbraw/zinc/41/95/89/709419589.db2.gz HIZPKUYNKZQETH-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCCC3)C2)C1 ZINC001034148296 709419590 /nfs/dbraw/zinc/41/95/90/709419590.db2.gz HIZPKUYNKZQETH-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CCCCC3)C2)C1 ZINC001034148296 709419591 /nfs/dbraw/zinc/41/95/91/709419591.db2.gz HIZPKUYNKZQETH-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001034148296 709419592 /nfs/dbraw/zinc/41/95/92/709419592.db2.gz HIZPKUYNKZQETH-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148683 709420122 /nfs/dbraw/zinc/42/01/22/709420122.db2.gz NHSBVUKVQXYSFY-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148683 709420124 /nfs/dbraw/zinc/42/01/24/709420124.db2.gz NHSBVUKVQXYSFY-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP CCC(CC)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034148683 709420125 /nfs/dbraw/zinc/42/01/25/709420125.db2.gz NHSBVUKVQXYSFY-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP CCC(CC)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034148683 709420126 /nfs/dbraw/zinc/42/01/26/709420126.db2.gz NHSBVUKVQXYSFY-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001002816388 709431952 /nfs/dbraw/zinc/43/19/52/709431952.db2.gz YCLIKQNLWKGWTB-UHFFFAOYSA-N 2 1 347.507 1.765 20 0 EDADMP O=C(NC1CC[NH+](Cc2cncc(F)c2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002834203 709449635 /nfs/dbraw/zinc/44/96/35/709449635.db2.gz SDTRXZOOJWEMCT-SFHVURJKSA-N 2 1 346.450 1.643 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC001002853192 709463477 /nfs/dbraw/zinc/46/34/77/709463477.db2.gz VBBWNSPQZZNQNI-BFYDXBDKSA-N 2 1 345.491 1.767 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC001002853192 709463478 /nfs/dbraw/zinc/46/34/78/709463478.db2.gz VBBWNSPQZZNQNI-BFYDXBDKSA-N 2 1 345.491 1.767 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCc3ccnn3C)CC2)CC[N@H+]1C ZINC001002859924 709468380 /nfs/dbraw/zinc/46/83/80/709468380.db2.gz VDHTZWPGCBXZPQ-ZWKOTPCHSA-N 2 1 347.507 1.274 20 0 EDADMP Cn1nccc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034207703 709555768 /nfs/dbraw/zinc/55/57/68/709555768.db2.gz NSFYNBGHVWONTQ-SJLPKXTDSA-N 2 1 345.491 1.233 20 0 EDADMP Cn1nccc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034207703 709555769 /nfs/dbraw/zinc/55/57/69/709555769.db2.gz NSFYNBGHVWONTQ-SJLPKXTDSA-N 2 1 345.491 1.233 20 0 EDADMP O=C(N[C@@H]1CCCC[N@H+](Cc2ccns2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034209575 709559171 /nfs/dbraw/zinc/55/91/71/709559171.db2.gz BSDIDEWCPQBLHF-NVXWUHKLSA-N 2 1 348.516 1.956 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](Cc2ccns2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034209575 709559173 /nfs/dbraw/zinc/55/91/73/709559173.db2.gz BSDIDEWCPQBLHF-NVXWUHKLSA-N 2 1 348.516 1.956 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC001002955416 709656962 /nfs/dbraw/zinc/65/69/62/709656962.db2.gz NVLKOSFCGSXNAZ-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC001002955416 709656966 /nfs/dbraw/zinc/65/69/66/709656966.db2.gz NVLKOSFCGSXNAZ-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CCCc2[nH+]ccn21 ZINC001003000653 709759514 /nfs/dbraw/zinc/75/95/14/709759514.db2.gz BRDZRBRHKOJYJM-KRWDZBQOSA-N 2 1 346.475 1.768 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCCC[N@@H+](CC3CCC3)C2)cn1 ZINC001034435958 710009407 /nfs/dbraw/zinc/00/94/07/710009407.db2.gz NGSQGJCTJQGASW-GOSISDBHSA-N 2 1 347.507 1.829 20 0 EDADMP Cc1noc(CCC[NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001003158266 710066293 /nfs/dbraw/zinc/06/62/93/710066293.db2.gz FSTJFFUSWGWXHE-MRXNPFEDSA-N 2 1 349.479 1.376 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001003167990 710079741 /nfs/dbraw/zinc/07/97/41/710079741.db2.gz QSJPDDFWCOKCKU-INIZCTEOSA-N 2 1 348.495 1.171 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001003167990 710079749 /nfs/dbraw/zinc/07/97/49/710079749.db2.gz QSJPDDFWCOKCKU-INIZCTEOSA-N 2 1 348.495 1.171 20 0 EDADMP Cn1cc(CC[N@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001034488645 710137457 /nfs/dbraw/zinc/13/74/57/710137457.db2.gz WZLFCMHMUSWJSH-KRWDZBQOSA-N 2 1 345.491 1.029 20 0 EDADMP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003229433 710150531 /nfs/dbraw/zinc/15/05/31/710150531.db2.gz GLMXJYNOOYICJN-NVXWUHKLSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1ccncc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034523863 710172027 /nfs/dbraw/zinc/17/20/27/710172027.db2.gz CELWXKAVVCFDJF-SJLPKXTDSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ccncc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034523863 710172029 /nfs/dbraw/zinc/17/20/29/710172029.db2.gz CELWXKAVVCFDJF-SJLPKXTDSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ccncc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034523863 710172030 /nfs/dbraw/zinc/17/20/30/710172030.db2.gz CELWXKAVVCFDJF-SJLPKXTDSA-N 2 1 330.476 1.812 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CCc3ccns3)C2)C1 ZINC001034526088 710177721 /nfs/dbraw/zinc/17/77/21/710177721.db2.gz UAQISDRPZKQIDI-GJZGRUSLSA-N 2 1 336.505 1.608 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](CCc3ccns3)C2)C1 ZINC001034526088 710177724 /nfs/dbraw/zinc/17/77/24/710177724.db2.gz UAQISDRPZKQIDI-GJZGRUSLSA-N 2 1 336.505 1.608 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCc3ccns3)C2)C1 ZINC001034526088 710177726 /nfs/dbraw/zinc/17/77/26/710177726.db2.gz UAQISDRPZKQIDI-GJZGRUSLSA-N 2 1 336.505 1.608 20 0 EDADMP Cc1ncsc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034526339 710178210 /nfs/dbraw/zinc/17/82/10/710178210.db2.gz XGPJAODCLQAYPQ-LSDHHAIUSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncsc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034526339 710178213 /nfs/dbraw/zinc/17/82/13/710178213.db2.gz XGPJAODCLQAYPQ-LSDHHAIUSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncsc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034526339 710178216 /nfs/dbraw/zinc/17/82/16/710178216.db2.gz XGPJAODCLQAYPQ-LSDHHAIUSA-N 2 1 336.505 1.874 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@@H+](CCC2CCOCC2)C1 ZINC001034528267 710182263 /nfs/dbraw/zinc/18/22/63/710182263.db2.gz LFUHUTWMIIFJNM-SFHVURJKSA-N 2 1 337.508 1.870 20 0 EDADMP C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034535185 710206889 /nfs/dbraw/zinc/20/68/89/710206889.db2.gz CJHNXOMGYJLWMJ-YJBOKZPZSA-N 2 1 333.476 1.713 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034537884 710210277 /nfs/dbraw/zinc/21/02/77/710210277.db2.gz GMABVQXYAIQDOO-ROUUACIJSA-N 2 1 347.507 1.728 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCn2cccn2)C1 ZINC001034537884 710210281 /nfs/dbraw/zinc/21/02/81/710210281.db2.gz GMABVQXYAIQDOO-ROUUACIJSA-N 2 1 347.507 1.728 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCn2cccn2)C1 ZINC001034537884 710210283 /nfs/dbraw/zinc/21/02/83/710210283.db2.gz GMABVQXYAIQDOO-ROUUACIJSA-N 2 1 347.507 1.728 20 0 EDADMP CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544718 710218426 /nfs/dbraw/zinc/21/84/26/710218426.db2.gz SXLANOAFZBEJTC-INIZCTEOSA-N 2 1 346.475 1.079 20 0 EDADMP CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544718 710218430 /nfs/dbraw/zinc/21/84/30/710218430.db2.gz SXLANOAFZBEJTC-INIZCTEOSA-N 2 1 346.475 1.079 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](CCn3cccn3)CC2)C1 ZINC001003482025 710370640 /nfs/dbraw/zinc/37/06/40/710370640.db2.gz ROWOGESYZTWOTA-KRWDZBQOSA-N 2 1 347.507 1.586 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC001003549093 710414524 /nfs/dbraw/zinc/41/45/24/710414524.db2.gz ZEXRHIYBALITSZ-UHFFFAOYSA-N 2 1 331.464 1.207 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001003634389 710461858 /nfs/dbraw/zinc/46/18/58/710461858.db2.gz KAYDEDXOICFHKQ-BEFAXECRSA-N 2 1 345.487 1.457 20 0 EDADMP Cn1nc2c(c1C[NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCC2 ZINC000922240381 710496467 /nfs/dbraw/zinc/49/64/67/710496467.db2.gz OMWBQKDYSHWMPN-QGZVFWFLSA-N 2 1 340.471 1.765 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003740405 710520488 /nfs/dbraw/zinc/52/04/88/710520488.db2.gz JUKHUSDCHFUNID-HNNXBMFYSA-N 2 1 345.491 1.850 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001034659179 710588683 /nfs/dbraw/zinc/58/86/83/710588683.db2.gz OIUYXUJOVZQQOS-JYJNAYRXSA-N 2 1 348.495 1.505 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034659681 710589026 /nfs/dbraw/zinc/58/90/26/710589026.db2.gz XSYCWLTUYDHOCK-BQFCYCMXSA-N 2 1 347.507 1.812 20 0 EDADMP Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001034674318 710623020 /nfs/dbraw/zinc/62/30/20/710623020.db2.gz MSFQVIWGPDVMBL-BRWVUGGUSA-N 2 1 333.480 1.421 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001005641060 710801994 /nfs/dbraw/zinc/80/19/94/710801994.db2.gz WOGROLKKCVSDDM-DOTOQJQBSA-N 2 1 325.497 1.410 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)[nH]1 ZINC001034734833 710913692 /nfs/dbraw/zinc/91/36/92/710913692.db2.gz AFLVOYTWRSHWRG-QEJZJMRPSA-N 2 1 334.468 1.114 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001034734772 710918099 /nfs/dbraw/zinc/91/80/99/710918099.db2.gz YDWKOGAQOIIDML-QEJZJMRPSA-N 2 1 335.452 1.237 20 0 EDADMP CCc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032944901 710923063 /nfs/dbraw/zinc/92/30/63/710923063.db2.gz LYOQLOKWSIKLTA-YOEHRIQHSA-N 2 1 334.464 1.672 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032944901 710923065 /nfs/dbraw/zinc/92/30/65/710923065.db2.gz LYOQLOKWSIKLTA-YOEHRIQHSA-N 2 1 334.464 1.672 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032944901 710923070 /nfs/dbraw/zinc/92/30/70/710923070.db2.gz LYOQLOKWSIKLTA-YOEHRIQHSA-N 2 1 334.464 1.672 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032944901 710923074 /nfs/dbraw/zinc/92/30/74/710923074.db2.gz LYOQLOKWSIKLTA-YOEHRIQHSA-N 2 1 334.464 1.672 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034738821 710931451 /nfs/dbraw/zinc/93/14/51/710931451.db2.gz VQQQFOWWMIQCDH-DTZQCDIJSA-N 2 1 334.464 1.698 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)CC1 ZINC001034737481 710949706 /nfs/dbraw/zinc/94/97/06/710949706.db2.gz JQMVQLLTRKDGNF-GFOCRRMGSA-N 2 1 348.466 1.935 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034738138 710952566 /nfs/dbraw/zinc/95/25/66/710952566.db2.gz QIFWOWXZFQXYSP-HJWJTTGWSA-N 2 1 333.480 1.135 20 0 EDADMP Cn1nccc1CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034775852 711050286 /nfs/dbraw/zinc/05/02/86/711050286.db2.gz KVHBJIZRMDQTAV-ULQDDVLXSA-N 2 1 347.507 1.321 20 0 EDADMP Cn1nccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001034787121 711092696 /nfs/dbraw/zinc/09/26/96/711092696.db2.gz YDJZEXCHEMYKPA-BXWFABGCSA-N 2 1 345.491 1.423 20 0 EDADMP Cc1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032978112 711096443 /nfs/dbraw/zinc/09/64/43/711096443.db2.gz XGVWPWVLFGEHPG-ZWKOTPCHSA-N 2 1 331.460 1.358 20 0 EDADMP Cc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032978112 711096447 /nfs/dbraw/zinc/09/64/47/711096447.db2.gz XGVWPWVLFGEHPG-ZWKOTPCHSA-N 2 1 331.460 1.358 20 0 EDADMP Cc1ccccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032978112 711096451 /nfs/dbraw/zinc/09/64/51/711096451.db2.gz XGVWPWVLFGEHPG-ZWKOTPCHSA-N 2 1 331.460 1.358 20 0 EDADMP Cc1ccccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032978112 711096454 /nfs/dbraw/zinc/09/64/54/711096454.db2.gz XGVWPWVLFGEHPG-ZWKOTPCHSA-N 2 1 331.460 1.358 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001034796810 711129164 /nfs/dbraw/zinc/12/91/64/711129164.db2.gz NZGZBBZZXGORFM-DSPLQEQRSA-N 2 1 348.495 1.168 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC001005719653 711143650 /nfs/dbraw/zinc/14/36/50/711143650.db2.gz UCKALMQDVYPJLC-APWZRJJASA-N 2 1 346.475 1.541 20 0 EDADMP CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)cc1 ZINC001034823090 711224860 /nfs/dbraw/zinc/22/48/60/711224860.db2.gz RDZMETWYXAVHPT-HFCFLWKCSA-N 2 1 329.444 1.276 20 0 EDADMP Cc1ncoc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001034831524 711238051 /nfs/dbraw/zinc/23/80/51/711238051.db2.gz SIHKSGWGOUHMIO-KRWDZBQOSA-N 2 1 342.443 1.841 20 0 EDADMP Cc1ncoc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001034831524 711238052 /nfs/dbraw/zinc/23/80/52/711238052.db2.gz SIHKSGWGOUHMIO-KRWDZBQOSA-N 2 1 342.443 1.841 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nncs1 ZINC001034953465 711417815 /nfs/dbraw/zinc/41/78/15/711417815.db2.gz BGYYZZZZDMVGAK-ZIAGYGMSSA-N 2 1 337.493 1.493 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nncs1 ZINC001034953465 711417818 /nfs/dbraw/zinc/41/78/18/711417818.db2.gz BGYYZZZZDMVGAK-ZIAGYGMSSA-N 2 1 337.493 1.493 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ocnc1C ZINC001034955029 711421554 /nfs/dbraw/zinc/42/15/54/711421554.db2.gz YGNQJDNGRCEOBY-HZPDHXFCSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)oc1C ZINC001034959269 711433840 /nfs/dbraw/zinc/43/38/40/711433840.db2.gz VOCPUAMSMYRXMS-WBVHZDCISA-N 2 1 334.464 1.712 20 0 EDADMP CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922386875 711448342 /nfs/dbraw/zinc/44/83/42/711448342.db2.gz JUGUDXAXBCBCLL-FTEYMNFISA-N 2 1 345.487 1.616 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(N(C)C)nc3)C2)[C@@H]1C(C)C ZINC000922392621 711457803 /nfs/dbraw/zinc/45/78/03/711457803.db2.gz MSUKFERMOUOFIU-VXIBKDFQSA-N 2 1 347.507 1.502 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004141991 711541704 /nfs/dbraw/zinc/54/17/04/711541704.db2.gz FGTXEIXQTDFENN-CQSZACIVSA-N 2 1 332.448 1.123 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004141991 711541706 /nfs/dbraw/zinc/54/17/06/711541706.db2.gz FGTXEIXQTDFENN-CQSZACIVSA-N 2 1 332.448 1.123 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(CO)cc3)CC2)C1 ZINC001004142211 711541974 /nfs/dbraw/zinc/54/19/74/711541974.db2.gz IFYXNNWPJNQHCT-QGZVFWFLSA-N 2 1 331.460 1.211 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)C1 ZINC001004143754 711544315 /nfs/dbraw/zinc/54/43/15/711544315.db2.gz ORXIGJZYWPMJLV-IEBWSBKVSA-N 2 1 345.487 1.122 20 0 EDADMP Cc1noc(CCC[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC001004151676 711569276 /nfs/dbraw/zinc/56/92/76/711569276.db2.gz KZWIOMKSNAZBJW-UHFFFAOYSA-N 2 1 346.435 1.096 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123872 711853239 /nfs/dbraw/zinc/85/32/39/711853239.db2.gz SXRFURJYHUIAID-TZMCWYRMSA-N 2 1 325.478 1.337 20 0 EDADMP C[NH+](C)C[C@H](NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000369048551 282131918 /nfs/dbraw/zinc/13/19/18/282131918.db2.gz WEAMGSVRNUVEMC-BZSNNMDCSA-N 2 1 346.475 1.452 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C[C@@H]1CCOC1)C1CC1)c1ccccc1 ZINC000184946152 282170709 /nfs/dbraw/zinc/17/07/09/282170709.db2.gz KATGDICJKGOTPG-LPHOPBHVSA-N 2 1 345.487 1.906 20 0 EDADMP Cc1cc(NC(=O)CC[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)no1 ZINC000174879976 231332667 /nfs/dbraw/zinc/33/26/67/231332667.db2.gz SJZPMFAGEREPSL-MRXNPFEDSA-N 2 1 349.479 1.414 20 0 EDADMP Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)no1 ZINC000174879976 231332671 /nfs/dbraw/zinc/33/26/71/231332671.db2.gz SJZPMFAGEREPSL-MRXNPFEDSA-N 2 1 349.479 1.414 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)[NH+]1CCOCC1 ZINC000494288249 282237200 /nfs/dbraw/zinc/23/72/00/282237200.db2.gz QMMOAZKKWKXRFE-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)[NH+]1CCOCC1 ZINC000494288249 282237206 /nfs/dbraw/zinc/23/72/06/282237206.db2.gz QMMOAZKKWKXRFE-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP Cn1nc2c(cc1=O)C[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000093756054 539523228 /nfs/dbraw/zinc/52/32/28/539523228.db2.gz VHNHPOPHODDYLE-UHFFFAOYSA-N 2 1 342.443 1.279 20 0 EDADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)[NH+](C)C ZINC000412388078 304004597 /nfs/dbraw/zinc/00/45/97/304004597.db2.gz IEIODQGVWQQYIU-JYJNAYRXSA-N 2 1 333.476 1.976 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2C)[N@@H+](C)Cc1ccccc1 ZINC000412428017 304007282 /nfs/dbraw/zinc/00/72/82/304007282.db2.gz UJWPBMGAGPHFMI-KSZLIROESA-N 2 1 331.460 1.438 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2C)N(C)Cc1ccccc1 ZINC000412428017 304007284 /nfs/dbraw/zinc/00/72/84/304007284.db2.gz UJWPBMGAGPHFMI-KSZLIROESA-N 2 1 331.460 1.438 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCCC[C@@H]2C[NH3+])CCC[N@H+]1C ZINC000333826307 539654347 /nfs/dbraw/zinc/65/43/47/539654347.db2.gz RYTOJVOSGJAXON-ZMSDIMECSA-N 2 1 348.495 1.326 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCCC[C@@H]2C)C1 ZINC000339241099 539701640 /nfs/dbraw/zinc/70/16/40/539701640.db2.gz VWTNLCCVMSDWCR-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000339241099 539701644 /nfs/dbraw/zinc/70/16/44/539701644.db2.gz VWTNLCCVMSDWCR-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000339241099 539701650 /nfs/dbraw/zinc/70/16/50/539701650.db2.gz VWTNLCCVMSDWCR-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000151344626 539750467 /nfs/dbraw/zinc/75/04/67/539750467.db2.gz ICVAEMZDRVXUPF-RHSMWYFYSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000151344626 539750470 /nfs/dbraw/zinc/75/04/70/539750470.db2.gz ICVAEMZDRVXUPF-RHSMWYFYSA-N 2 1 338.496 1.412 20 0 EDADMP C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000264314234 282709529 /nfs/dbraw/zinc/70/95/29/282709529.db2.gz MPXFECOKKLFYHB-GOSISDBHSA-N 2 1 330.476 1.186 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000152695395 539826510 /nfs/dbraw/zinc/82/65/10/539826510.db2.gz MIEGGHQORBABBP-GOEBONIOSA-N 2 1 326.485 1.269 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000152695395 539826513 /nfs/dbraw/zinc/82/65/13/539826513.db2.gz MIEGGHQORBABBP-GOEBONIOSA-N 2 1 326.485 1.269 20 0 EDADMP CCN(C(=O)[C@@H]1C[C@H](OC)C[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000346433334 539855423 /nfs/dbraw/zinc/85/54/23/539855423.db2.gz HXAPWAFZHDOYAZ-FHWLQOOXSA-N 2 1 345.487 1.829 20 0 EDADMP CCN(C(=O)[C@@H]1C[C@H](OC)C[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000346433334 539855425 /nfs/dbraw/zinc/85/54/25/539855425.db2.gz HXAPWAFZHDOYAZ-FHWLQOOXSA-N 2 1 345.487 1.829 20 0 EDADMP CCN(C(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000346433334 539855428 /nfs/dbraw/zinc/85/54/28/539855428.db2.gz HXAPWAFZHDOYAZ-FHWLQOOXSA-N 2 1 345.487 1.829 20 0 EDADMP CCN(C(=O)[C@@H]1C[C@H](OC)C[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000346433334 539855431 /nfs/dbraw/zinc/85/54/31/539855431.db2.gz HXAPWAFZHDOYAZ-FHWLQOOXSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1Cc1ccccc1 ZINC000412701557 304028824 /nfs/dbraw/zinc/02/88/24/304028824.db2.gz UHCFMWSANZSJIQ-IEBWSBKVSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC[NH+]1Cc1ccccc1 ZINC000412701557 304028828 /nfs/dbraw/zinc/02/88/28/304028828.db2.gz UHCFMWSANZSJIQ-IEBWSBKVSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000412701557 304028821 /nfs/dbraw/zinc/02/88/21/304028821.db2.gz UHCFMWSANZSJIQ-IEBWSBKVSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000412701557 304028823 /nfs/dbraw/zinc/02/88/23/304028823.db2.gz UHCFMWSANZSJIQ-IEBWSBKVSA-N 2 1 342.487 1.109 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC(=O)NCC)CC1 ZINC000074319809 535216857 /nfs/dbraw/zinc/21/68/57/535216857.db2.gz XHVCRVTWVBTLBC-CQSZACIVSA-N 2 1 326.485 1.665 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000342765989 291049220 /nfs/dbraw/zinc/04/92/20/291049220.db2.gz RJDAGEDPYCWDGV-XHSDSOJGSA-N 2 1 339.480 1.380 20 0 EDADMP CCOC1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000184574431 540144489 /nfs/dbraw/zinc/14/44/89/540144489.db2.gz LTTXIBQEMAPHPF-GOSISDBHSA-N 2 1 333.476 1.906 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000563331660 306327641 /nfs/dbraw/zinc/32/76/41/306327641.db2.gz KIGAQDRESDNULC-RCCFBDPRSA-N 2 1 346.475 1.015 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000563331660 306327642 /nfs/dbraw/zinc/32/76/42/306327642.db2.gz KIGAQDRESDNULC-RCCFBDPRSA-N 2 1 346.475 1.015 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000563331660 306327643 /nfs/dbraw/zinc/32/76/43/306327643.db2.gz KIGAQDRESDNULC-RCCFBDPRSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000187029436 540152934 /nfs/dbraw/zinc/15/29/34/540152934.db2.gz IZIRBYYCCSEGAM-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000187029436 540152938 /nfs/dbraw/zinc/15/29/38/540152938.db2.gz IZIRBYYCCSEGAM-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000187029436 540152941 /nfs/dbraw/zinc/15/29/41/540152941.db2.gz IZIRBYYCCSEGAM-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP CCN(C[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)CC)C1)CC(F)(F)F ZINC000563351374 306329165 /nfs/dbraw/zinc/32/91/65/306329165.db2.gz ZVDUWYGWIDGLDT-ZIAGYGMSSA-N 2 1 325.419 1.505 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1)CC(F)(F)F ZINC000563351374 306329166 /nfs/dbraw/zinc/32/91/66/306329166.db2.gz ZVDUWYGWIDGLDT-ZIAGYGMSSA-N 2 1 325.419 1.505 20 0 EDADMP CCN(C[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)CC)C1)CC(F)(F)F ZINC000563351374 306329167 /nfs/dbraw/zinc/32/91/67/306329167.db2.gz ZVDUWYGWIDGLDT-ZIAGYGMSSA-N 2 1 325.419 1.505 20 0 EDADMP CCN(C[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1)CC(F)(F)F ZINC000563351374 306329168 /nfs/dbraw/zinc/32/91/68/306329168.db2.gz ZVDUWYGWIDGLDT-ZIAGYGMSSA-N 2 1 325.419 1.505 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000360163332 283164823 /nfs/dbraw/zinc/16/48/23/283164823.db2.gz OSFSIQRNCZSNEV-HZPDHXFCSA-N 2 1 340.512 1.023 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000360163332 283164828 /nfs/dbraw/zinc/16/48/28/283164828.db2.gz OSFSIQRNCZSNEV-HZPDHXFCSA-N 2 1 340.512 1.023 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000360163332 283164832 /nfs/dbraw/zinc/16/48/32/283164832.db2.gz OSFSIQRNCZSNEV-HZPDHXFCSA-N 2 1 340.512 1.023 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000048179825 138125305 /nfs/dbraw/zinc/12/53/05/138125305.db2.gz NDSGBDDYYGUUEX-UHFFFAOYSA-N 2 1 335.496 1.480 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(O)CC2)CC1 ZINC000051590369 138135708 /nfs/dbraw/zinc/13/57/08/138135708.db2.gz YBTKUHIPZMQNHM-UHFFFAOYSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC(O)CC2)CC1 ZINC000051590369 138135711 /nfs/dbraw/zinc/13/57/11/138135711.db2.gz YBTKUHIPZMQNHM-UHFFFAOYSA-N 2 1 345.487 1.486 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000073880237 138222062 /nfs/dbraw/zinc/22/20/62/138222062.db2.gz MOXVMQPAIWFGEZ-GOSISDBHSA-N 2 1 344.459 1.862 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000073880237 138222063 /nfs/dbraw/zinc/22/20/63/138222063.db2.gz MOXVMQPAIWFGEZ-GOSISDBHSA-N 2 1 344.459 1.862 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@@H]1CCCO1 ZINC000076298185 138247733 /nfs/dbraw/zinc/24/77/33/138247733.db2.gz QXQNJKZCYMFVSM-WDSOQIARSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000076298185 138247734 /nfs/dbraw/zinc/24/77/34/138247734.db2.gz QXQNJKZCYMFVSM-WDSOQIARSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CCCO1 ZINC000076298185 138247735 /nfs/dbraw/zinc/24/77/35/138247735.db2.gz QXQNJKZCYMFVSM-WDSOQIARSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CCCO1 ZINC000076298185 138247736 /nfs/dbraw/zinc/24/77/36/138247736.db2.gz QXQNJKZCYMFVSM-WDSOQIARSA-N 2 1 345.487 1.876 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000091824779 138285125 /nfs/dbraw/zinc/28/51/25/138285125.db2.gz VXDPOLNWBCOBCD-GOSISDBHSA-N 2 1 331.460 1.984 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000091824779 138285126 /nfs/dbraw/zinc/28/51/26/138285126.db2.gz VXDPOLNWBCOBCD-GOSISDBHSA-N 2 1 331.460 1.984 20 0 EDADMP CS[C@@H]1CCCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000092064179 138286401 /nfs/dbraw/zinc/28/64/01/138286401.db2.gz WYCNUOUNWRPQCV-MRXNPFEDSA-N 2 1 335.521 1.946 20 0 EDADMP CS[C@@H]1CCCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000092064179 138286402 /nfs/dbraw/zinc/28/64/02/138286402.db2.gz WYCNUOUNWRPQCV-MRXNPFEDSA-N 2 1 335.521 1.946 20 0 EDADMP Cc1ncccc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093142998 138291879 /nfs/dbraw/zinc/29/18/79/138291879.db2.gz LIKWYZCSESZKDE-UHFFFAOYSA-N 2 1 330.476 1.766 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000093770418 138294538 /nfs/dbraw/zinc/29/45/38/138294538.db2.gz KDQDGVZAKVAXDV-MRXNPFEDSA-N 2 1 333.476 1.927 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000093770418 138294539 /nfs/dbraw/zinc/29/45/39/138294539.db2.gz KDQDGVZAKVAXDV-MRXNPFEDSA-N 2 1 333.476 1.927 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000093770418 138294540 /nfs/dbraw/zinc/29/45/40/138294540.db2.gz KDQDGVZAKVAXDV-MRXNPFEDSA-N 2 1 333.476 1.927 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000093770418 138294541 /nfs/dbraw/zinc/29/45/41/138294541.db2.gz KDQDGVZAKVAXDV-MRXNPFEDSA-N 2 1 333.476 1.927 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000132463501 138377173 /nfs/dbraw/zinc/37/71/73/138377173.db2.gz NBVHIKASXLDEPC-SFHVURJKSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000132463501 138377175 /nfs/dbraw/zinc/37/71/75/138377175.db2.gz NBVHIKASXLDEPC-SFHVURJKSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000564334231 306358979 /nfs/dbraw/zinc/35/89/79/306358979.db2.gz DQRGJSXUSVEFPD-WDYCEAGBSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000564334231 306358980 /nfs/dbraw/zinc/35/89/80/306358980.db2.gz DQRGJSXUSVEFPD-WDYCEAGBSA-N 2 1 331.460 1.534 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H]2CC[NH+](CC)C2)CC[N@H+]1CCOC ZINC000413833395 304079479 /nfs/dbraw/zinc/07/94/79/304079479.db2.gz IRRKTMNTAKFFBS-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CC)C2)CC[NH+]1CCOC ZINC000413833395 304079480 /nfs/dbraw/zinc/07/94/80/304079480.db2.gz IRRKTMNTAKFFBS-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC000413833395 304079481 /nfs/dbraw/zinc/07/94/81/304079481.db2.gz IRRKTMNTAKFFBS-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1CCCCN1 ZINC000422842501 299286619 /nfs/dbraw/zinc/28/66/19/299286619.db2.gz YLDTVJIIQWCYFG-DOTOQJQBSA-N 2 1 338.540 1.733 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(Br)ccc1F ZINC000071148712 202339024 /nfs/dbraw/zinc/33/90/24/202339024.db2.gz AALWIHYDRGGNQF-UHFFFAOYSA-N 2 1 330.245 1.925 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(Br)ccc1F ZINC000071148712 202339026 /nfs/dbraw/zinc/33/90/26/202339026.db2.gz AALWIHYDRGGNQF-UHFFFAOYSA-N 2 1 330.245 1.925 20 0 EDADMP C[NH+]1CCC2(CCCN2C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000565279625 306380033 /nfs/dbraw/zinc/38/00/33/306380033.db2.gz VNJDSYYUNDSBJV-UHFFFAOYSA-N 2 1 332.448 1.971 20 0 EDADMP CC[N@@H+](CC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)C1CC1 ZINC000136038824 201130880 /nfs/dbraw/zinc/13/08/80/201130880.db2.gz UEGGJKWZCBWXMR-UHFFFAOYSA-N 2 1 336.524 1.537 20 0 EDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3nc4ccccc4c(=O)[nH]3)CC[C@@H]21 ZINC000140024683 201144791 /nfs/dbraw/zinc/14/47/91/201144791.db2.gz KOOSRHMHTOYMEK-PBHICJAKSA-N 2 1 326.444 1.882 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3nc4ccccc4c(=O)[nH]3)CC[C@@H]21 ZINC000140024683 201144795 /nfs/dbraw/zinc/14/47/95/201144795.db2.gz KOOSRHMHTOYMEK-PBHICJAKSA-N 2 1 326.444 1.882 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3nc4ccccc4c(=O)[nH]3)CC[C@@H]21 ZINC000140024683 201144799 /nfs/dbraw/zinc/14/47/99/201144799.db2.gz KOOSRHMHTOYMEK-PBHICJAKSA-N 2 1 326.444 1.882 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3nc4ccccc4c(=O)[nH]3)CC[C@@H]21 ZINC000140024683 201144802 /nfs/dbraw/zinc/14/48/02/201144802.db2.gz KOOSRHMHTOYMEK-PBHICJAKSA-N 2 1 326.444 1.882 20 0 EDADMP C[C@H](C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)[N@@H+]1CCc2ccccc2C1 ZINC000078596241 201189779 /nfs/dbraw/zinc/18/97/79/201189779.db2.gz JKSLJKGBKOLHMR-LZQZEXGQSA-N 2 1 343.471 1.413 20 0 EDADMP C[C@H](C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)[N@H+]1CCc2ccccc2C1 ZINC000078596241 201189783 /nfs/dbraw/zinc/18/97/83/201189783.db2.gz JKSLJKGBKOLHMR-LZQZEXGQSA-N 2 1 343.471 1.413 20 0 EDADMP C[C@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCc2ccccc2C1 ZINC000078596241 201189787 /nfs/dbraw/zinc/18/97/87/201189787.db2.gz JKSLJKGBKOLHMR-LZQZEXGQSA-N 2 1 343.471 1.413 20 0 EDADMP C[C@H](C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCc2ccccc2C1 ZINC000078596241 201189789 /nfs/dbraw/zinc/18/97/89/201189789.db2.gz JKSLJKGBKOLHMR-LZQZEXGQSA-N 2 1 343.471 1.413 20 0 EDADMP C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694250 304128338 /nfs/dbraw/zinc/12/83/38/304128338.db2.gz MZNDCUUVORBDIL-MJGOQNOKSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414697945 304128925 /nfs/dbraw/zinc/12/89/25/304128925.db2.gz WYQOTXZXDPUQMZ-HNNXBMFYSA-N 2 1 346.475 1.712 20 0 EDADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000414698231 304129419 /nfs/dbraw/zinc/12/94/19/304129419.db2.gz ITQOYVORLYPDIY-HKUYNNGSSA-N 2 1 344.503 1.785 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000414699518 304129279 /nfs/dbraw/zinc/12/92/79/304129279.db2.gz INRZOKYIPHIIKJ-AWEZNQCLSA-N 2 1 332.448 1.335 20 0 EDADMP C[C@H]1C[C@H](C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC000414701196 304129721 /nfs/dbraw/zinc/12/97/21/304129721.db2.gz UFSXSWVLBCMBHC-FUHWJXTLSA-N 3 1 336.524 1.251 20 0 EDADMP CCOC(=O)C1([N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)CCCCC1 ZINC000414700833 304129944 /nfs/dbraw/zinc/12/99/44/304129944.db2.gz GLAUQDOMZFNASL-OAHLLOKOSA-N 2 1 339.480 1.382 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000414705864 304130206 /nfs/dbraw/zinc/13/02/06/304130206.db2.gz NTWFWUIDHLHKDU-HNNXBMFYSA-N 2 1 346.475 1.725 20 0 EDADMP CC(C)C[C@@H]([NH3+])CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000414703675 304130263 /nfs/dbraw/zinc/13/02/63/304130263.db2.gz VSNNNZHQTCQNLL-QZTJIDSGSA-N 2 1 335.492 1.417 20 0 EDADMP CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529798 305351424 /nfs/dbraw/zinc/35/14/24/305351424.db2.gz NYYNSXJRKDCMIJ-ZWKOTPCHSA-N 2 1 325.497 1.414 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)C1 ZINC000414712685 304131804 /nfs/dbraw/zinc/13/18/04/304131804.db2.gz NVWMXZVHTLOCOD-MJGOQNOKSA-N 2 1 345.487 1.457 20 0 EDADMP CC[C@@](C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529798 305351425 /nfs/dbraw/zinc/35/14/25/305351425.db2.gz NYYNSXJRKDCMIJ-ZWKOTPCHSA-N 2 1 325.497 1.414 20 0 EDADMP CC[C@@](C)(O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529798 305351426 /nfs/dbraw/zinc/35/14/26/305351426.db2.gz NYYNSXJRKDCMIJ-ZWKOTPCHSA-N 2 1 325.497 1.414 20 0 EDADMP CC[C@@](C)(O)C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529798 305351427 /nfs/dbraw/zinc/35/14/27/305351427.db2.gz NYYNSXJRKDCMIJ-ZWKOTPCHSA-N 2 1 325.497 1.414 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000414749799 304137060 /nfs/dbraw/zinc/13/70/60/304137060.db2.gz WPGIGYYZMZLZDL-GJZGRUSLSA-N 2 1 346.475 1.581 20 0 EDADMP COc1cc(NC(=O)C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc(OC)c1 ZINC000414760116 304137732 /nfs/dbraw/zinc/13/77/32/304137732.db2.gz XVIXJMHEJGWXPG-UONOGXRCSA-N 2 1 335.448 1.962 20 0 EDADMP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1OCC(=O)N1CCCC1 ZINC000414796205 304141657 /nfs/dbraw/zinc/14/16/57/304141657.db2.gz NWKUPFKDQXVDIE-INIZCTEOSA-N 2 1 349.475 1.769 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000414839468 304146447 /nfs/dbraw/zinc/14/64/47/304146447.db2.gz XOGJLDAKMHZUHE-MRXNPFEDSA-N 2 1 344.459 1.478 20 0 EDADMP C[NH2+][C@@H](C)C[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000414995815 304149363 /nfs/dbraw/zinc/14/93/63/304149363.db2.gz WKNMUHRBYOIYOC-ZDUSSCGKSA-N 2 1 341.477 1.046 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1CC[NH+](C)CC1 ZINC000073945639 203276022 /nfs/dbraw/zinc/27/60/22/203276022.db2.gz UIFHHAUMUHAQMV-KRWDZBQOSA-N 2 1 344.503 1.655 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423671445 284155684 /nfs/dbraw/zinc/15/56/84/284155684.db2.gz WPKLNUMDORYYDG-SIXLDLHFSA-N 2 1 328.460 1.827 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@H]4C[NH2+]CCCO4)[C@H]3C2)cc1 ZINC000415036773 304153437 /nfs/dbraw/zinc/15/34/37/304153437.db2.gz KEYZXWFIGCQNRY-YRPNKDGESA-N 2 1 329.488 1.865 20 0 EDADMP COc1cccc(C[C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)n1 ZINC000415054524 304155247 /nfs/dbraw/zinc/15/52/47/304155247.db2.gz NQYIXDPHSAVTCQ-HJOIGYKYSA-N 2 1 332.492 1.827 20 0 EDADMP CC(=O)Nc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415060451 304155582 /nfs/dbraw/zinc/15/55/82/304155582.db2.gz WUSDRCXPGNFRTO-UHFFFAOYSA-N 2 1 330.476 1.951 20 0 EDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000415098475 304159744 /nfs/dbraw/zinc/15/97/44/304159744.db2.gz FECGJONYJWCKHX-NZSAHSFTSA-N 2 1 345.487 1.577 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)C1 ZINC000415104255 304160512 /nfs/dbraw/zinc/16/05/12/304160512.db2.gz KOJKKMYUGITERM-PBHICJAKSA-N 2 1 341.459 1.897 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)c2csc(CC[NH3+])n2)C[C@H](C)O1 ZINC000194826749 139000862 /nfs/dbraw/zinc/00/08/62/139000862.db2.gz KOHVOULDJQPPIP-RYUDHWBXSA-N 2 1 340.493 1.262 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2csc(CC[NH3+])n2)C[C@H](C)O1 ZINC000194829839 139001010 /nfs/dbraw/zinc/00/10/10/139001010.db2.gz GTGRLLIOPMFVOX-BETUJISGSA-N 2 1 340.493 1.264 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000106363717 204191159 /nfs/dbraw/zinc/19/11/59/204191159.db2.gz GMRQZNPRCXPGQI-IEBWSBKVSA-N 2 1 345.487 1.737 20 0 EDADMP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3CSC[NH2+]3)CC2)c1 ZINC000195163010 139008317 /nfs/dbraw/zinc/00/83/17/139008317.db2.gz KUMNZRBWTSNVHP-KRWDZBQOSA-N 2 1 348.516 1.286 20 0 EDADMP O=C1N[C@H]2C[N@H+](Cc3ccccc3F)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415140391 304163533 /nfs/dbraw/zinc/16/35/33/304163533.db2.gz NDZJYVUQGNKNMY-DLBZAZTESA-N 2 1 332.423 1.546 20 0 EDADMP O=C1N[C@H]2C[N@@H+](Cc3ccccc3F)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415140391 304163534 /nfs/dbraw/zinc/16/35/34/304163534.db2.gz NDZJYVUQGNKNMY-DLBZAZTESA-N 2 1 332.423 1.546 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@H]1C ZINC000415144017 304164242 /nfs/dbraw/zinc/16/42/42/304164242.db2.gz CSBCPOWYTYLGNG-ZIAGYGMSSA-N 2 1 332.448 1.286 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)c2csc(C[NH3+])n2)CC1 ZINC000236804669 139031968 /nfs/dbraw/zinc/03/19/68/139031968.db2.gz VGLXPTCYWUFFTQ-UHFFFAOYSA-N 2 1 326.466 1.221 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415161062 304168165 /nfs/dbraw/zinc/16/81/65/304168165.db2.gz MDFYDQHRIVZIMB-SJORKVTESA-N 2 1 344.459 1.430 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000415162753 304168599 /nfs/dbraw/zinc/16/85/99/304168599.db2.gz AABICAUEVMEBPM-MRXNPFEDSA-N 2 1 332.448 1.143 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000415162753 304168601 /nfs/dbraw/zinc/16/86/01/304168601.db2.gz AABICAUEVMEBPM-MRXNPFEDSA-N 2 1 332.448 1.143 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000236889809 139034277 /nfs/dbraw/zinc/03/42/77/139034277.db2.gz GJIREYDFXOLGOZ-GOSISDBHSA-N 2 1 332.492 1.438 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)nc(C)[nH+]1 ZINC000237288750 139046674 /nfs/dbraw/zinc/04/66/74/139046674.db2.gz IABYUDNNJFIGSQ-CVEARBPZSA-N 2 1 331.464 1.648 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000496204127 284341181 /nfs/dbraw/zinc/34/11/81/284341181.db2.gz DOKOFCVETBGDKJ-LSDHHAIUSA-N 2 1 343.512 1.924 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2)C[C@@H](C)O1 ZINC000237416556 139050591 /nfs/dbraw/zinc/05/05/91/139050591.db2.gz RYUCVPIQUNQVBK-HBUWYVDXSA-N 2 1 331.460 1.763 20 0 EDADMP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000415181115 304171789 /nfs/dbraw/zinc/17/17/89/304171789.db2.gz AHOACESKBWSSPH-INIZCTEOSA-N 2 1 330.432 1.217 20 0 EDADMP CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000130902254 205263832 /nfs/dbraw/zinc/26/38/32/205263832.db2.gz HLYNOLGEKDAFEH-SFHVURJKSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000130902254 205263835 /nfs/dbraw/zinc/26/38/35/205263835.db2.gz HLYNOLGEKDAFEH-SFHVURJKSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H](c1ccc(NC(=O)NC[C@H]([NH3+])C2CC2)cc1)[NH+]1CCOCC1 ZINC000415189465 304172977 /nfs/dbraw/zinc/17/29/77/304172977.db2.gz WITFDXLDNPKRDD-DYVFJYSZSA-N 2 1 332.448 1.939 20 0 EDADMP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000237931044 139064126 /nfs/dbraw/zinc/06/41/26/139064126.db2.gz FTQHLKNLRJKMEO-RBUKOAKNSA-N 2 1 345.487 1.926 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000111841999 220204549 /nfs/dbraw/zinc/20/45/49/220204549.db2.gz USZSBYMBTTYGOV-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157347243 206130059 /nfs/dbraw/zinc/13/00/59/206130059.db2.gz FCGLRTUOBLIUSA-IEBWSBKVSA-N 2 1 348.487 1.990 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000245882486 139088474 /nfs/dbraw/zinc/08/84/74/139088474.db2.gz IDMKECQWEPNACV-ZZJWQFMZSA-N 2 1 348.535 1.630 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245882486 139088475 /nfs/dbraw/zinc/08/84/75/139088475.db2.gz IDMKECQWEPNACV-ZZJWQFMZSA-N 2 1 348.535 1.630 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245882486 139088476 /nfs/dbraw/zinc/08/84/76/139088476.db2.gz IDMKECQWEPNACV-ZZJWQFMZSA-N 2 1 348.535 1.630 20 0 EDADMP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158792981 206210343 /nfs/dbraw/zinc/21/03/43/206210343.db2.gz SBTADASQLSRSPO-HKUYNNGSSA-N 2 1 345.512 1.989 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415370780 304206720 /nfs/dbraw/zinc/20/67/20/304206720.db2.gz FHYQMYLTNGHDKQ-GJZGRUSLSA-N 2 1 346.475 1.711 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[NH+](C)CC)[C@H](C)C1 ZINC000247218330 139140844 /nfs/dbraw/zinc/14/08/44/139140844.db2.gz MWHJXNVVIJWZKX-CVEARBPZSA-N 2 1 328.501 1.374 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NCC[N@H+](C)CC)[C@H](C)C1 ZINC000247218330 139140845 /nfs/dbraw/zinc/14/08/45/139140845.db2.gz MWHJXNVVIJWZKX-CVEARBPZSA-N 2 1 328.501 1.374 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NCC[N@@H+](C)CC)[C@H](C)C1 ZINC000247218330 139140846 /nfs/dbraw/zinc/14/08/46/139140846.db2.gz MWHJXNVVIJWZKX-CVEARBPZSA-N 2 1 328.501 1.374 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000247461988 139149278 /nfs/dbraw/zinc/14/92/78/139149278.db2.gz BHFZRIMMHPEIDC-CEXWTWQISA-N 2 1 343.471 1.630 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000247461988 139149279 /nfs/dbraw/zinc/14/92/79/139149279.db2.gz BHFZRIMMHPEIDC-CEXWTWQISA-N 2 1 343.471 1.630 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000247461988 139149280 /nfs/dbraw/zinc/14/92/80/139149280.db2.gz BHFZRIMMHPEIDC-CEXWTWQISA-N 2 1 343.471 1.630 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000247461988 139149281 /nfs/dbraw/zinc/14/92/81/139149281.db2.gz BHFZRIMMHPEIDC-CEXWTWQISA-N 2 1 343.471 1.630 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000247461988 139149282 /nfs/dbraw/zinc/14/92/82/139149282.db2.gz BHFZRIMMHPEIDC-CEXWTWQISA-N 2 1 343.471 1.630 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249110889 139185970 /nfs/dbraw/zinc/18/59/70/139185970.db2.gz MTOTVVPALVVGSM-CVEARBPZSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](CO)C1 ZINC000249303163 139190939 /nfs/dbraw/zinc/19/09/39/139190939.db2.gz FHPOUSXNCPHWQA-BHIYHBOVSA-N 2 1 345.487 1.470 20 0 EDADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)on2)cc1 ZINC000261650386 139214475 /nfs/dbraw/zinc/21/44/75/139214475.db2.gz JPMAZMWTVIBDDM-MRXNPFEDSA-N 2 1 342.443 1.937 20 0 EDADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261682491 139217099 /nfs/dbraw/zinc/21/70/99/139217099.db2.gz DKYFQVGOYJGHBA-GOSISDBHSA-N 2 1 343.471 1.490 20 0 EDADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261682491 139217100 /nfs/dbraw/zinc/21/71/00/139217100.db2.gz DKYFQVGOYJGHBA-GOSISDBHSA-N 2 1 343.471 1.490 20 0 EDADMP C[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000261744096 139222297 /nfs/dbraw/zinc/22/22/97/139222297.db2.gz IOMYWHSAFGDOLK-ZIFCJYIRSA-N 2 1 344.503 1.831 20 0 EDADMP C[C@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000261860956 139232033 /nfs/dbraw/zinc/23/20/33/139232033.db2.gz RHFUEQGCHVEQPH-OAGGEKHMSA-N 2 1 348.466 1.532 20 0 EDADMP C[NH2+]CCC1CC[NH+](CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000261981368 139241510 /nfs/dbraw/zinc/24/15/10/139241510.db2.gz IAONJEDGHYPUJZ-UHFFFAOYSA-N 2 1 330.432 1.293 20 0 EDADMP Cc1nc([C@@H]2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)sc1C ZINC000262034125 139245414 /nfs/dbraw/zinc/24/54/14/139245414.db2.gz HBRNFUYJJSMDJM-OAHLLOKOSA-N 2 1 336.505 1.761 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC)c1 ZINC000414871172 250871627 /nfs/dbraw/zinc/87/16/27/250871627.db2.gz CYTSNMNVLRTNKT-CQSZACIVSA-N 2 1 334.464 1.581 20 0 EDADMP CC1(C)CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000262086063 139249753 /nfs/dbraw/zinc/24/97/53/139249753.db2.gz CRDZDUCWPSMWGV-UHFFFAOYSA-N 2 1 345.487 1.865 20 0 EDADMP CC1(C)CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000262086063 139249754 /nfs/dbraw/zinc/24/97/54/139249754.db2.gz CRDZDUCWPSMWGV-UHFFFAOYSA-N 2 1 345.487 1.865 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000415969045 251040506 /nfs/dbraw/zinc/04/05/06/251040506.db2.gz YEXVENTVBRYWCR-GASCZTMLSA-N 2 1 334.464 1.979 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000415969045 251040511 /nfs/dbraw/zinc/04/05/11/251040511.db2.gz YEXVENTVBRYWCR-GASCZTMLSA-N 2 1 334.464 1.979 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262250146 139263601 /nfs/dbraw/zinc/26/36/01/139263601.db2.gz LOAMENCYCWWTDZ-DOTOQJQBSA-N 2 1 331.460 1.694 20 0 EDADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000416788632 251110134 /nfs/dbraw/zinc/11/01/34/251110134.db2.gz IUCKDMLRYFOBPZ-INIZCTEOSA-N 2 1 338.496 1.128 20 0 EDADMP C[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000262322223 139269925 /nfs/dbraw/zinc/26/99/25/139269925.db2.gz CPGYJXAMIUCVBG-HOCLYGCPSA-N 2 1 344.459 1.401 20 0 EDADMP C[C@@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)[N@H+]1CCC[C@H](C)C1 ZINC000417023787 251136295 /nfs/dbraw/zinc/13/62/95/251136295.db2.gz WQDHKRSGFNBUKE-HOTGVXAUSA-N 2 1 340.512 1.646 20 0 EDADMP C[C@H]1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000416999305 251125342 /nfs/dbraw/zinc/12/53/42/251125342.db2.gz BXWFLCJZJZIABX-MAUKXSAKSA-N 2 1 330.476 1.814 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417552155 251187412 /nfs/dbraw/zinc/18/74/12/251187412.db2.gz CDUFBORICLWZGK-HZPDHXFCSA-N 2 1 326.485 1.319 20 0 EDADMP O=C(NCC[NH2+]C1CCCCCC1)NCC[NH+]1CCSCC1 ZINC000417606352 251205583 /nfs/dbraw/zinc/20/55/83/251205583.db2.gz DQJVQZLGXWPAHN-UHFFFAOYSA-N 2 1 328.526 1.647 20 0 EDADMP C[C@@H](c1ccc(NC(=O)C[C@@H]2COCC[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000262416620 139277536 /nfs/dbraw/zinc/27/75/36/139277536.db2.gz RGFLGHQDTZPMEN-WMLDXEAASA-N 2 1 333.432 1.397 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NCCC[NH2+]C3CC3)CC2)[nH+]1 ZINC000417703453 251233865 /nfs/dbraw/zinc/23/38/65/251233865.db2.gz QXBKOGOCZKCFFG-UHFFFAOYSA-N 2 1 331.464 1.800 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000417761045 251259577 /nfs/dbraw/zinc/25/95/77/251259577.db2.gz YPJCGERZZHFMSL-HNNXBMFYSA-N 2 1 327.517 1.077 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000417720046 251241656 /nfs/dbraw/zinc/24/16/56/251241656.db2.gz XFJHTHLLFLOFHQ-QGZVFWFLSA-N 2 1 328.476 1.986 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H](C)CCC[NH3+] ZINC000417721381 251243515 /nfs/dbraw/zinc/24/35/15/251243515.db2.gz ACRBFNUDNXSURB-DLBZAZTESA-N 2 1 347.507 1.624 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)Cc2ccccc2C1 ZINC000417735624 251248587 /nfs/dbraw/zinc/24/85/87/251248587.db2.gz LKLODBBJYAIBGY-GOSISDBHSA-N 2 1 348.466 1.429 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000417816063 251280898 /nfs/dbraw/zinc/28/08/98/251280898.db2.gz BZKYFBJIIMECEF-XYJFISCASA-N 2 1 330.476 1.900 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000417871421 251306875 /nfs/dbraw/zinc/30/68/75/251306875.db2.gz JLHTXECVNGBUJS-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000417992489 251319018 /nfs/dbraw/zinc/31/90/18/251319018.db2.gz MQHMGYVYHUKSIY-DLBZAZTESA-N 2 1 334.464 1.036 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CCCO1 ZINC000418109423 251324201 /nfs/dbraw/zinc/32/42/01/251324201.db2.gz CSOZWMODJRRWNP-OWCLPIDISA-N 2 1 326.485 1.304 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418108180 251325181 /nfs/dbraw/zinc/32/51/81/251325181.db2.gz AOJGHPVTSQPPIS-HOTGVXAUSA-N 2 1 340.512 1.565 20 0 EDADMP C[NH2+][C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1cnn(C)c1 ZINC000262515683 139283748 /nfs/dbraw/zinc/28/37/48/139283748.db2.gz KDBRQODTBNKNSW-GOSISDBHSA-N 2 1 341.459 1.593 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H](C[NH3+])CC(C)C)CC[N@H+]1CCOC ZINC000418427578 251368264 /nfs/dbraw/zinc/36/82/64/251368264.db2.gz OHKGNAKJBXIPES-HOTGVXAUSA-N 2 1 328.501 1.502 20 0 EDADMP Cc1cc(CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000418197005 251354571 /nfs/dbraw/zinc/35/45/71/251354571.db2.gz IPGAUNHOSZYDKS-ZBFHGGJFSA-N 2 1 331.464 1.869 20 0 EDADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000418319380 251360572 /nfs/dbraw/zinc/36/05/72/251360572.db2.gz AUOBFPWLWPNKER-YJBOKZPZSA-N 2 1 348.491 1.518 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418709548 251391801 /nfs/dbraw/zinc/39/18/01/251391801.db2.gz URPSXNYYGNAJLG-NCOADZHNSA-N 2 1 340.512 1.787 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418709548 251391804 /nfs/dbraw/zinc/39/18/04/251391804.db2.gz URPSXNYYGNAJLG-NCOADZHNSA-N 2 1 340.512 1.787 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000418714040 251393723 /nfs/dbraw/zinc/39/37/23/251393723.db2.gz HSTVZCWZQDMVSS-HOTGVXAUSA-N 2 1 331.464 1.739 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418701806 251387906 /nfs/dbraw/zinc/38/79/06/251387906.db2.gz DEKZZNNSPUHOOO-SQNIBIBYSA-N 2 1 330.476 1.887 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262788451 139303600 /nfs/dbraw/zinc/30/36/00/139303600.db2.gz NXPPZZSYKLRQBS-OAGGEKHMSA-N 2 1 331.464 1.506 20 0 EDADMP C[NH2+]CC(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262814055 139305410 /nfs/dbraw/zinc/30/54/10/139305410.db2.gz YXGWATXGELNSTI-INIZCTEOSA-N 2 1 327.432 1.796 20 0 EDADMP CN1CCN(c2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccn2)CC1 ZINC000422878334 252007515 /nfs/dbraw/zinc/00/75/15/252007515.db2.gz IZKPRUOHNBDTPP-IPMKNSEASA-N 2 1 343.519 1.844 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)[C@H]1n1cccn1 ZINC000423151097 252038266 /nfs/dbraw/zinc/03/82/66/252038266.db2.gz ZTVMDYUEXQANQU-FQESAXDCSA-N 2 1 334.464 1.348 20 0 EDADMP CCN(C(=O)C(=O)N(C)CC[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000423178151 252043140 /nfs/dbraw/zinc/04/31/40/252043140.db2.gz KJWILMDWWPJIEG-DOTOQJQBSA-N 2 1 346.475 1.088 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000423961507 252109248 /nfs/dbraw/zinc/10/92/48/252109248.db2.gz ZWLUUVKNPMUHMU-UHFFFAOYSA-N 2 1 344.503 1.694 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000424013352 252114110 /nfs/dbraw/zinc/11/41/10/252114110.db2.gz QXHYGIZJRAETQT-ZWKOTPCHSA-N 2 1 348.466 1.106 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCCO1 ZINC000424023971 252118043 /nfs/dbraw/zinc/11/80/43/252118043.db2.gz QJTBSOHOGAKTDJ-AEFFLSMTSA-N 2 1 349.450 1.614 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424216195 252165816 /nfs/dbraw/zinc/16/58/16/252165816.db2.gz IBQKDTHELUBXLR-RCCFBDPRSA-N 2 1 345.512 1.814 20 0 EDADMP COC(=O)CCCc1nc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)no1 ZINC000424298182 252192161 /nfs/dbraw/zinc/19/21/61/252192161.db2.gz UAUXBFJIYADLGL-ZDUSSCGKSA-N 2 1 336.436 1.529 20 0 EDADMP COC(=O)CCCc1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)no1 ZINC000424298182 252192165 /nfs/dbraw/zinc/19/21/65/252192165.db2.gz UAUXBFJIYADLGL-ZDUSSCGKSA-N 2 1 336.436 1.529 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000424441154 252233469 /nfs/dbraw/zinc/23/34/69/252233469.db2.gz WGFOSKLUIJLAAL-UHFFFAOYSA-N 2 1 347.463 1.128 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000426210181 252325405 /nfs/dbraw/zinc/32/54/05/252325405.db2.gz LBVGRJZKHNOLLO-HLLBOEOZSA-N 2 1 338.496 1.364 20 0 EDADMP COC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000167547126 532974405 /nfs/dbraw/zinc/97/44/05/532974405.db2.gz PDNMQRACNNEKBL-AEFFLSMTSA-N 2 1 345.487 1.924 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccnc1 ZINC000263692339 139353314 /nfs/dbraw/zinc/35/33/14/139353314.db2.gz OYMPZOAIYBKLMF-OAHLLOKOSA-N 2 1 340.493 1.118 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000263715453 139355016 /nfs/dbraw/zinc/35/50/16/139355016.db2.gz KTAOBCVAJBFVFY-ZIAGYGMSSA-N 2 1 332.452 1.968 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCCOCC[NH+](C)C ZINC000471643165 255015508 /nfs/dbraw/zinc/01/55/08/255015508.db2.gz GVGJXILNIPYTCT-MRXNPFEDSA-N 2 1 328.501 1.374 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000490289593 255083312 /nfs/dbraw/zinc/08/33/12/255083312.db2.gz GJQUAMRZBXRHJC-KRWDZBQOSA-N 2 1 345.491 1.246 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000490289593 255083314 /nfs/dbraw/zinc/08/33/14/255083314.db2.gz GJQUAMRZBXRHJC-KRWDZBQOSA-N 2 1 345.491 1.246 20 0 EDADMP C[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000496130392 255356512 /nfs/dbraw/zinc/35/65/12/255356512.db2.gz SXWWROCTJMJGRI-ZIAGYGMSSA-N 2 1 341.500 1.745 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000496382855 255389967 /nfs/dbraw/zinc/38/99/67/255389967.db2.gz VQMJHMYZPBQYCP-KGLIPLIRSA-N 2 1 329.485 1.989 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000415913850 304285149 /nfs/dbraw/zinc/28/51/49/304285149.db2.gz RVYFKIYQQVAZFE-UHFFFAOYSA-N 2 1 334.464 1.981 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000415934117 304286176 /nfs/dbraw/zinc/28/61/76/304286176.db2.gz QYXMKYBLUZSSDV-LSDHHAIUSA-N 2 1 334.464 1.715 20 0 EDADMP COC(=O)[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+](C)C1 ZINC000416242717 304300005 /nfs/dbraw/zinc/30/00/05/304300005.db2.gz ADASPESLZWHWSN-IRXDYDNUSA-N 2 1 347.459 1.243 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C2)[nH+]1 ZINC000270545611 140120800 /nfs/dbraw/zinc/12/08/00/140120800.db2.gz YFKDHRWTUJYKIV-MRXNPFEDSA-N 2 1 337.489 1.949 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C2)[nH+]1 ZINC000270545611 140120802 /nfs/dbraw/zinc/12/08/02/140120802.db2.gz YFKDHRWTUJYKIV-MRXNPFEDSA-N 2 1 337.489 1.949 20 0 EDADMP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000271028292 140223536 /nfs/dbraw/zinc/22/35/36/140223536.db2.gz PPUBVQAIHJUJDA-OAHLLOKOSA-N 2 1 338.452 1.217 20 0 EDADMP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000271028292 140223538 /nfs/dbraw/zinc/22/35/38/140223538.db2.gz PPUBVQAIHJUJDA-OAHLLOKOSA-N 2 1 338.452 1.217 20 0 EDADMP CC(C)NS(=O)(=O)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000331335786 141008884 /nfs/dbraw/zinc/00/88/84/141008884.db2.gz IUVJMSKFPYWLFE-UHFFFAOYSA-N 2 1 331.526 1.701 20 0 EDADMP O[C@@H](CN1CCOCC1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333005756 141249376 /nfs/dbraw/zinc/24/93/76/141249376.db2.gz DVVNZUQRDIRMEW-GOSISDBHSA-N 2 1 348.491 1.092 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000333349020 141303401 /nfs/dbraw/zinc/30/34/01/141303401.db2.gz RDXXOQNOGUPCGD-KBPBESRZSA-N 2 1 332.448 1.251 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000333553165 141335860 /nfs/dbraw/zinc/33/58/60/141335860.db2.gz MWBHFKLGGUZQMU-WBVHZDCISA-N 2 1 331.464 1.850 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000333553165 141335862 /nfs/dbraw/zinc/33/58/62/141335862.db2.gz MWBHFKLGGUZQMU-WBVHZDCISA-N 2 1 331.464 1.850 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000333682156 141356378 /nfs/dbraw/zinc/35/63/78/141356378.db2.gz ABDDFGWLSYEISW-MRXNPFEDSA-N 2 1 338.496 1.415 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000333718083 141364810 /nfs/dbraw/zinc/36/48/10/141364810.db2.gz UCLVKSQIXFJKPT-FZKCQIBNSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000333718083 141364811 /nfs/dbraw/zinc/36/48/11/141364811.db2.gz UCLVKSQIXFJKPT-FZKCQIBNSA-N 2 1 326.485 1.125 20 0 EDADMP Cc1cc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cn2cc[nH+]c12 ZINC000333721003 141365980 /nfs/dbraw/zinc/36/59/80/141365980.db2.gz VFOMEHGSWWQZFT-HUUCEWRRSA-N 2 1 329.404 1.580 20 0 EDADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCN3C(=O)N[C@@H](C)C3=O)C1)CCCC2 ZINC000333812876 141386420 /nfs/dbraw/zinc/38/64/20/141386420.db2.gz HECRGMDTCCFURB-GXTWGEPZSA-N 2 1 345.447 1.257 20 0 EDADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCN3C(=O)N[C@@H](C)C3=O)C1)CCCC2 ZINC000333812876 141386421 /nfs/dbraw/zinc/38/64/21/141386421.db2.gz HECRGMDTCCFURB-GXTWGEPZSA-N 2 1 345.447 1.257 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000340374841 142365258 /nfs/dbraw/zinc/36/52/58/142365258.db2.gz POTHDKWNBBFRAD-PKOBYXMFSA-N 2 1 330.476 1.186 20 0 EDADMP CCOC(=O)c1csc(CC[NH2+]C2CC[NH+](CCOC)CC2)n1 ZINC000345625330 143113694 /nfs/dbraw/zinc/11/36/94/143113694.db2.gz HSJBDFGRTOFFCD-UHFFFAOYSA-N 2 1 341.477 1.563 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC000345732279 143126815 /nfs/dbraw/zinc/12/68/15/143126815.db2.gz IIBAHWUBVZGTDK-LSDHHAIUSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000346364788 143196926 /nfs/dbraw/zinc/19/69/26/143196926.db2.gz GEUOSYFTESVHFO-WCXIOVBPSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000346364788 143196927 /nfs/dbraw/zinc/19/69/27/143196927.db2.gz GEUOSYFTESVHFO-WCXIOVBPSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000346364788 143196928 /nfs/dbraw/zinc/19/69/28/143196928.db2.gz GEUOSYFTESVHFO-WCXIOVBPSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000346364789 143196964 /nfs/dbraw/zinc/19/69/64/143196964.db2.gz GEUOSYFTESVHFO-YLFCFFPRSA-N 2 1 325.497 1.722 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000347030330 143273958 /nfs/dbraw/zinc/27/39/58/143273958.db2.gz XTDIDXFUYZIXQC-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP CCOc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1OC ZINC000347157081 143288833 /nfs/dbraw/zinc/28/88/33/143288833.db2.gz FDUFPEIATCFJSR-OAHLLOKOSA-N 2 1 335.448 1.381 20 0 EDADMP C[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000347384156 143315236 /nfs/dbraw/zinc/31/52/36/143315236.db2.gz YGZVLBSZLADZGR-SJORKVTESA-N 2 1 325.497 1.868 20 0 EDADMP C[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000347384156 143315237 /nfs/dbraw/zinc/31/52/37/143315237.db2.gz YGZVLBSZLADZGR-SJORKVTESA-N 2 1 325.497 1.868 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000347683878 143349183 /nfs/dbraw/zinc/34/91/83/143349183.db2.gz LMSHDYSJVQFULJ-DLBZAZTESA-N 2 1 325.497 1.583 20 0 EDADMP COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000348074674 143397894 /nfs/dbraw/zinc/39/78/94/143397894.db2.gz MHNHBEKXJXOWLZ-RDJZCZTQSA-N 2 1 336.480 1.835 20 0 EDADMP COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000348074674 143397895 /nfs/dbraw/zinc/39/78/95/143397895.db2.gz MHNHBEKXJXOWLZ-RDJZCZTQSA-N 2 1 336.480 1.835 20 0 EDADMP CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000369684634 155135206 /nfs/dbraw/zinc/13/52/06/155135206.db2.gz WJTPPNMNMXVBPD-CYBMUJFWSA-N 2 1 331.420 1.710 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000416843315 304351162 /nfs/dbraw/zinc/35/11/62/304351162.db2.gz OKUAVWLGDZNIKZ-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP COCC[NH+]1CCC([NH2+]CCCn2cc(Br)cn2)CC1 ZINC000352607885 149084322 /nfs/dbraw/zinc/08/43/22/149084322.db2.gz BGMFDMMTIOJAJS-UHFFFAOYSA-N 2 1 345.285 1.736 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000352722241 149130416 /nfs/dbraw/zinc/13/04/16/149130416.db2.gz OJYWLQWMMYSWIG-UHFFFAOYSA-N 2 1 326.510 1.305 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000352780200 149162637 /nfs/dbraw/zinc/16/26/37/149162637.db2.gz OEAAOEZPNQNRQR-QZTJIDSGSA-N 2 1 344.503 1.750 20 0 EDADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000352785504 149164498 /nfs/dbraw/zinc/16/44/98/149164498.db2.gz ZPYYBPNPQVBMPB-QGZVFWFLSA-N 2 1 332.492 1.891 20 0 EDADMP COC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000352874356 149199402 /nfs/dbraw/zinc/19/94/02/149199402.db2.gz VSNFNPKPNKKDGX-QZTJIDSGSA-N 2 1 345.487 1.860 20 0 EDADMP COC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000352874356 149199409 /nfs/dbraw/zinc/19/94/09/149199409.db2.gz VSNFNPKPNKKDGX-QZTJIDSGSA-N 2 1 345.487 1.860 20 0 EDADMP CN(C)c1cc[nH+]cc1CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000353174714 149312659 /nfs/dbraw/zinc/31/26/59/149312659.db2.gz FGMDDWPBSBKQNV-HXUWFJFHSA-N 2 1 340.471 1.874 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000353307861 149359651 /nfs/dbraw/zinc/35/96/51/149359651.db2.gz LTBKBSHQFNZFJV-HXUWFJFHSA-N 2 1 346.519 1.728 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000353343102 149372668 /nfs/dbraw/zinc/37/26/68/149372668.db2.gz CODJOSXOBITWEH-GJZGRUSLSA-N 2 1 328.501 1.061 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000369954461 155250384 /nfs/dbraw/zinc/25/03/84/155250384.db2.gz IDKYNSGBUULOPR-GBESFXJTSA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000369954461 155250387 /nfs/dbraw/zinc/25/03/87/155250387.db2.gz IDKYNSGBUULOPR-GBESFXJTSA-N 2 1 342.487 1.854 20 0 EDADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000355649620 150349433 /nfs/dbraw/zinc/34/94/33/150349433.db2.gz LTEXFZFQFGVABB-UHFFFAOYSA-N 2 1 326.400 1.511 20 0 EDADMP CC(C)C[C@]1(CO)CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355765949 150392544 /nfs/dbraw/zinc/39/25/44/150392544.db2.gz YSBYWAPGVOFEPC-IBGZPJMESA-N 2 1 337.508 1.602 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417034004 304363578 /nfs/dbraw/zinc/36/35/78/304363578.db2.gz RPFYFPZKOKPCMR-RBUKOAKNSA-N 2 1 342.487 1.828 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000417033824 304363647 /nfs/dbraw/zinc/36/36/47/304363647.db2.gz FVZZEUCTXHCOAI-HOTGVXAUSA-N 2 1 326.485 1.258 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417032299 304363307 /nfs/dbraw/zinc/36/33/07/304363307.db2.gz DXYLDMWEWKXTKS-QGZVFWFLSA-N 2 1 339.528 1.236 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000357543830 151062637 /nfs/dbraw/zinc/06/26/37/151062637.db2.gz NHULEJGEWFXEIX-INIZCTEOSA-N 2 1 339.505 1.853 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000357959296 151211004 /nfs/dbraw/zinc/21/10/04/151211004.db2.gz PBAVMBLGTFNIJC-CVEARBPZSA-N 2 1 327.517 1.042 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000357959296 151211010 /nfs/dbraw/zinc/21/10/10/151211010.db2.gz PBAVMBLGTFNIJC-CVEARBPZSA-N 2 1 327.517 1.042 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000357959296 151211012 /nfs/dbraw/zinc/21/10/12/151211012.db2.gz PBAVMBLGTFNIJC-CVEARBPZSA-N 2 1 327.517 1.042 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000358001086 151229855 /nfs/dbraw/zinc/22/98/55/151229855.db2.gz JPJJAROCPUNLJJ-HZPDHXFCSA-N 2 1 328.501 1.374 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000358001086 151229857 /nfs/dbraw/zinc/22/98/57/151229857.db2.gz JPJJAROCPUNLJJ-HZPDHXFCSA-N 2 1 328.501 1.374 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@]2(O)CC[NH+](C)C2)cc1 ZINC000358059256 151251588 /nfs/dbraw/zinc/25/15/88/151251588.db2.gz DCBURSBYXCXGCM-LJQANCHMSA-N 2 1 333.476 1.715 20 0 EDADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358059256 151251591 /nfs/dbraw/zinc/25/15/91/151251591.db2.gz DCBURSBYXCXGCM-LJQANCHMSA-N 2 1 333.476 1.715 20 0 EDADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358059256 151251593 /nfs/dbraw/zinc/25/15/93/151251593.db2.gz DCBURSBYXCXGCM-LJQANCHMSA-N 2 1 333.476 1.715 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000417079670 304370776 /nfs/dbraw/zinc/37/07/76/304370776.db2.gz NMSBQOLYIAIRQI-HCXYKTFWSA-N 2 1 342.487 1.997 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000358169827 151294154 /nfs/dbraw/zinc/29/41/54/151294154.db2.gz RLQOTJOJYLXSRJ-SJORKVTESA-N 2 1 342.528 1.857 20 0 EDADMP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000417090996 304371745 /nfs/dbraw/zinc/37/17/45/304371745.db2.gz ZVEZOWYOSMTXFA-WMLDXEAASA-N 2 1 330.476 1.954 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358509090 151399624 /nfs/dbraw/zinc/39/96/24/151399624.db2.gz MRHVDJZDTLVDIY-QGZVFWFLSA-N 2 1 345.487 1.954 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000417110835 304373279 /nfs/dbraw/zinc/37/32/79/304373279.db2.gz LEOKUMBIBPKTMN-MGPQQGTHSA-N 2 1 336.505 1.887 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000417110835 304373281 /nfs/dbraw/zinc/37/32/81/304373281.db2.gz LEOKUMBIBPKTMN-MGPQQGTHSA-N 2 1 336.505 1.887 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000417112575 304373381 /nfs/dbraw/zinc/37/33/81/304373381.db2.gz MKPYCEWHOWHBTO-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000359284070 151670264 /nfs/dbraw/zinc/67/02/64/151670264.db2.gz YUSYLCPQHCDGPZ-HZPDHXFCSA-N 2 1 340.512 1.071 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000417120105 304374328 /nfs/dbraw/zinc/37/43/28/304374328.db2.gz UYEUEHKHNFEBSY-YUELXQCFSA-N 2 1 334.489 1.356 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000417120105 304374331 /nfs/dbraw/zinc/37/43/31/304374331.db2.gz UYEUEHKHNFEBSY-YUELXQCFSA-N 2 1 334.489 1.356 20 0 EDADMP CC(C)[NH+](CCNC(=O)C1([NH+]2CCN(C)CC2)CCCC1)C(C)C ZINC000360389185 152016491 /nfs/dbraw/zinc/01/64/91/152016491.db2.gz MVYSHOXKHUFONL-UHFFFAOYSA-N 2 1 338.540 1.782 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)OCc3ccccc3)CC2)C1 ZINC000360447455 152047854 /nfs/dbraw/zinc/04/78/54/152047854.db2.gz MAAVFJHTUKVQNC-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)OCc3ccccc3)CC2)C1 ZINC000360447455 152047857 /nfs/dbraw/zinc/04/78/57/152047857.db2.gz MAAVFJHTUKVQNC-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP COc1ccc(CNC(=[NH2+])NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1OC ZINC000360572034 152102229 /nfs/dbraw/zinc/10/22/29/152102229.db2.gz ISKJODPDTKJXRN-CABCVRRESA-N 2 1 348.447 1.181 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000351481318 286301816 /nfs/dbraw/zinc/30/18/16/286301816.db2.gz XHCQFWIMIPPQPU-HRCADAONSA-N 2 1 347.459 1.331 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000351481318 286301817 /nfs/dbraw/zinc/30/18/17/286301817.db2.gz XHCQFWIMIPPQPU-HRCADAONSA-N 2 1 347.459 1.331 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(CCOCC)CC1 ZINC000360797606 152209609 /nfs/dbraw/zinc/20/96/09/152209609.db2.gz JKSRSONKCAQYMQ-INIZCTEOSA-N 2 1 328.501 1.471 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CCOCC)CC1 ZINC000360797606 152209610 /nfs/dbraw/zinc/20/96/10/152209610.db2.gz JKSRSONKCAQYMQ-INIZCTEOSA-N 2 1 328.501 1.471 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CCOCC)CC1 ZINC000360797606 152209612 /nfs/dbraw/zinc/20/96/12/152209612.db2.gz JKSRSONKCAQYMQ-INIZCTEOSA-N 2 1 328.501 1.471 20 0 EDADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000360911836 152249126 /nfs/dbraw/zinc/24/91/26/152249126.db2.gz GRTRUIWJUSAPPF-NZSAHSFTSA-N 2 1 349.519 1.699 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000361271368 152350019 /nfs/dbraw/zinc/35/00/19/152350019.db2.gz LFTYELOTTFJCAJ-HZPDHXFCSA-N 2 1 335.452 1.086 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000361271368 152350022 /nfs/dbraw/zinc/35/00/22/152350022.db2.gz LFTYELOTTFJCAJ-HZPDHXFCSA-N 2 1 335.452 1.086 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000364734810 153318978 /nfs/dbraw/zinc/31/89/78/153318978.db2.gz LGKBTGKAIRVLKG-PASDCYSWSA-N 2 1 337.508 1.756 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)Cc3ccncc3)CC2)CC1 ZINC000364986414 153390536 /nfs/dbraw/zinc/39/05/36/153390536.db2.gz YMSWCLIEPMUNOP-UHFFFAOYSA-N 2 1 344.503 1.937 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417279427 304388796 /nfs/dbraw/zinc/38/87/96/304388796.db2.gz ZLMKDKCCKJPKNM-ZFWWWQNUSA-N 2 1 334.489 1.357 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417279427 304388797 /nfs/dbraw/zinc/38/87/97/304388797.db2.gz ZLMKDKCCKJPKNM-ZFWWWQNUSA-N 2 1 334.489 1.357 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000367625415 154203435 /nfs/dbraw/zinc/20/34/35/154203435.db2.gz XYVWPAUDOPJHJF-BZSNNMDCSA-N 2 1 330.476 1.881 20 0 EDADMP CC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369392793 155011539 /nfs/dbraw/zinc/01/15/39/155011539.db2.gz BJWCSQAEVFOEER-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](CC(C)C)CC2)C1 ZINC000369611681 155110270 /nfs/dbraw/zinc/11/02/70/155110270.db2.gz JIVYOLXYWBALPJ-INIZCTEOSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](CC(C)C)CC2)C1 ZINC000369611681 155110273 /nfs/dbraw/zinc/11/02/73/155110273.db2.gz JIVYOLXYWBALPJ-INIZCTEOSA-N 2 1 326.485 1.080 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000369655628 155121543 /nfs/dbraw/zinc/12/15/43/155121543.db2.gz HTNKXMJDESNHSU-VSZNYVQBSA-N 2 1 334.508 1.844 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000369655628 155121544 /nfs/dbraw/zinc/12/15/44/155121544.db2.gz HTNKXMJDESNHSU-VSZNYVQBSA-N 2 1 334.508 1.844 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000369655628 155121545 /nfs/dbraw/zinc/12/15/45/155121545.db2.gz HTNKXMJDESNHSU-VSZNYVQBSA-N 2 1 334.508 1.844 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000371839230 156132756 /nfs/dbraw/zinc/13/27/56/156132756.db2.gz REFPUUWWHSXNCA-BBWFWOEESA-N 2 1 338.496 1.271 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccn3)C2)CC1 ZINC000372011024 156209273 /nfs/dbraw/zinc/20/92/73/156209273.db2.gz RYZISFIOKUGTKO-KRWDZBQOSA-N 2 1 346.475 1.524 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](Oc3ccccn3)C2)CC1 ZINC000372011024 156209275 /nfs/dbraw/zinc/20/92/75/156209275.db2.gz RYZISFIOKUGTKO-KRWDZBQOSA-N 2 1 346.475 1.524 20 0 EDADMP C[C@@H](C(=O)N1CCC[N@@H+](C2CCOCC2)CC1)[NH+]1CCSCC1 ZINC000372151120 156242326 /nfs/dbraw/zinc/24/23/26/156242326.db2.gz ZHYSVKOISXCZRO-HNNXBMFYSA-N 2 1 341.521 1.137 20 0 EDADMP C[C@@H](C(=O)N1CCC[N@H+](C2CCOCC2)CC1)[NH+]1CCSCC1 ZINC000372151120 156242331 /nfs/dbraw/zinc/24/23/31/156242331.db2.gz ZHYSVKOISXCZRO-HNNXBMFYSA-N 2 1 341.521 1.137 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)[C@]2([NH+](C)C)CCOc3ccccc32)CC1 ZINC000376790150 157832287 /nfs/dbraw/zinc/83/22/87/157832287.db2.gz VRKLTTHTWSSRCF-LIRRHRJNSA-N 2 1 331.460 1.812 20 0 EDADMP COCCN1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C[C@@H]1C ZINC000377966669 158042450 /nfs/dbraw/zinc/04/24/50/158042450.db2.gz VWDFMAKKBJCEIJ-FUHWJXTLSA-N 2 1 346.475 1.225 20 0 EDADMP COCCN1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C[C@@H]1C ZINC000377966669 158042453 /nfs/dbraw/zinc/04/24/53/158042453.db2.gz VWDFMAKKBJCEIJ-FUHWJXTLSA-N 2 1 346.475 1.225 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)[C@H]2CCCN2Cc2ccccn2)C[C@@H]1C ZINC000377966669 158042456 /nfs/dbraw/zinc/04/24/56/158042456.db2.gz VWDFMAKKBJCEIJ-FUHWJXTLSA-N 2 1 346.475 1.225 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000377972501 158044162 /nfs/dbraw/zinc/04/41/62/158044162.db2.gz WGGWVKCUICNZCL-CQSZACIVSA-N 2 1 341.415 1.084 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000352215025 162055440 /nfs/dbraw/zinc/05/54/40/162055440.db2.gz YXKJAUMUKYTLAG-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000352224357 162059779 /nfs/dbraw/zinc/05/97/79/162059779.db2.gz YMVKBPRIDAFVPF-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000352234495 162063916 /nfs/dbraw/zinc/06/39/16/162063916.db2.gz LFQNECMVXAUAGS-INIZCTEOSA-N 2 1 341.521 1.768 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CC1 ZINC000352449134 162188055 /nfs/dbraw/zinc/18/80/55/162188055.db2.gz XIZDDHOWPWSICT-FUHWJXTLSA-N 2 1 335.492 1.620 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CC1 ZINC000352449134 162188059 /nfs/dbraw/zinc/18/80/59/162188059.db2.gz XIZDDHOWPWSICT-FUHWJXTLSA-N 2 1 335.492 1.620 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC[S@](=O)c2ccccc2)CC1 ZINC000357652261 162286901 /nfs/dbraw/zinc/28/69/01/162286901.db2.gz VBCZOOPJOUANDW-MWTRTKDXSA-N 2 1 338.517 1.819 20 0 EDADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000364613041 162338971 /nfs/dbraw/zinc/33/89/71/162338971.db2.gz NXCPAVMENGHSHC-MRXNPFEDSA-N 2 1 346.475 1.131 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417694746 287008668 /nfs/dbraw/zinc/00/86/68/287008668.db2.gz DTTRTOCNMIHYJB-MRXNPFEDSA-N 2 1 340.512 1.790 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000345801817 287143855 /nfs/dbraw/zinc/14/38/55/287143855.db2.gz ZDHQEZDQLJPZPZ-QBPKDAKJSA-N 2 1 338.496 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000345801817 287143859 /nfs/dbraw/zinc/14/38/59/287143859.db2.gz ZDHQEZDQLJPZPZ-QBPKDAKJSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)N1CC[NH+](C)CC1 ZINC000073637956 287262341 /nfs/dbraw/zinc/26/23/41/287262341.db2.gz UXUCGIXJNQIQPT-SFHVURJKSA-N 2 1 338.540 1.495 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000237343951 287276536 /nfs/dbraw/zinc/27/65/36/287276536.db2.gz VWWLYOHBCUDNTN-OLMNPRSZSA-N 2 1 331.460 1.400 20 0 EDADMP COC1(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000166049096 226145097 /nfs/dbraw/zinc/14/50/97/226145097.db2.gz FLYPJHCYQAUVEL-GASCZTMLSA-N 2 1 325.497 1.628 20 0 EDADMP COC1(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000168708931 226220885 /nfs/dbraw/zinc/22/08/85/226220885.db2.gz YQKBFNNQBLMWDN-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCC[C@@H](CNc2cc(NC[C@@H]3CCC[N@H+](C)C3)ncn2)C1 ZINC000124229695 222396093 /nfs/dbraw/zinc/39/60/93/222396093.db2.gz DHYKVWMQPSTDOD-HOTGVXAUSA-N 2 1 332.496 1.984 20 0 EDADMP CO[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@@H](C)C1 ZINC000665762510 452340361 /nfs/dbraw/zinc/34/03/61/452340361.db2.gz GWTJRWULESZNLZ-JYJNAYRXSA-N 2 1 328.501 1.467 20 0 EDADMP CO[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H](C)C1 ZINC000665762510 452340371 /nfs/dbraw/zinc/34/03/71/452340371.db2.gz GWTJRWULESZNLZ-JYJNAYRXSA-N 2 1 328.501 1.467 20 0 EDADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@]1(N)CC[N@@H+](C)C1 ZINC000649290794 451965647 /nfs/dbraw/zinc/96/56/47/451965647.db2.gz SWIBNKDAAYVINK-IBGZPJMESA-N 2 1 348.491 1.056 20 0 EDADMP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261766921 273017342 /nfs/dbraw/zinc/01/73/42/273017342.db2.gz WIUKNIBSULYOFM-SFHVURJKSA-N 2 1 331.460 1.767 20 0 EDADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261766921 273017343 /nfs/dbraw/zinc/01/73/43/273017343.db2.gz WIUKNIBSULYOFM-SFHVURJKSA-N 2 1 331.460 1.767 20 0 EDADMP C[NH+](C)C[C@H](NC(=O)NCC[N@H+]1CCCOCC1)c1ccccc1 ZINC000275572969 268362482 /nfs/dbraw/zinc/36/24/82/268362482.db2.gz COSPGHLIDBSBPE-KRWDZBQOSA-N 2 1 334.464 1.311 20 0 EDADMP C[NH+](C)CCCNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000178325936 272943741 /nfs/dbraw/zinc/94/37/41/272943741.db2.gz QUYSIEMEGYXVPG-UHFFFAOYSA-N 2 1 342.484 1.043 20 0 EDADMP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000333251697 275031256 /nfs/dbraw/zinc/03/12/56/275031256.db2.gz GYCZXCYCDUJSRN-QLFBSQMISA-N 2 1 327.428 1.935 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[NH2+]Cc2cncc(F)c2)cc[nH+]1 ZINC000354927410 276903979 /nfs/dbraw/zinc/90/39/79/276903979.db2.gz IIBFXTIDKLBOHD-HUUCEWRRSA-N 2 1 348.401 1.783 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](C[C@](C)(O)c3ccccc3)C2)CC1 ZINC000245706268 277110788 /nfs/dbraw/zinc/11/07/88/277110788.db2.gz YPLMZVPTUWYLCS-UXHICEINSA-N 2 1 331.504 1.996 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C[C@](C)(O)c3ccccc3)C2)CC1 ZINC000245706268 277110789 /nfs/dbraw/zinc/11/07/89/277110789.db2.gz YPLMZVPTUWYLCS-UXHICEINSA-N 2 1 331.504 1.996 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417573072 277221202 /nfs/dbraw/zinc/22/12/02/277221202.db2.gz WJLMTKFGXFTCMF-CVEARBPZSA-N 2 1 326.485 1.304 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000111875777 278272262 /nfs/dbraw/zinc/27/22/62/278272262.db2.gz DKXKGYPOFHPJHP-INIZCTEOSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000111875777 278272264 /nfs/dbraw/zinc/27/22/64/278272264.db2.gz DKXKGYPOFHPJHP-INIZCTEOSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286667226 288058104 /nfs/dbraw/zinc/05/81/04/288058104.db2.gz UYWDPSHCOHZHAY-QXCFHYIPSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)[C@@H]1CCC[C@H]1O ZINC000286667226 288058106 /nfs/dbraw/zinc/05/81/06/288058106.db2.gz UYWDPSHCOHZHAY-QXCFHYIPSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)[C@@H]1CCC[C@H]1O ZINC000286667226 288058107 /nfs/dbraw/zinc/05/81/07/288058107.db2.gz UYWDPSHCOHZHAY-QXCFHYIPSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)C[C@H](C)O1 ZINC000344296910 288066643 /nfs/dbraw/zinc/06/66/43/288066643.db2.gz RIGYRAWRFTVJDH-QKPAOTATSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)C[C@H](C)O1 ZINC000344296910 288066647 /nfs/dbraw/zinc/06/66/47/288066647.db2.gz RIGYRAWRFTVJDH-QKPAOTATSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@H](C)O1 ZINC000344296910 288066651 /nfs/dbraw/zinc/06/66/51/288066651.db2.gz RIGYRAWRFTVJDH-QKPAOTATSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)C[C@H](C)O1 ZINC000344296910 288066654 /nfs/dbraw/zinc/06/66/54/288066654.db2.gz RIGYRAWRFTVJDH-QKPAOTATSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C)CC[C@H]2C)C[C@@H](C)O1 ZINC000355471735 288066046 /nfs/dbraw/zinc/06/60/46/288066046.db2.gz IRGKJRXOCYSVDO-BZUAXINKSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)C[C@@H](C)O1 ZINC000355471735 288066049 /nfs/dbraw/zinc/06/60/49/288066049.db2.gz IRGKJRXOCYSVDO-BZUAXINKSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)C[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000236678735 278987432 /nfs/dbraw/zinc/98/74/32/278987432.db2.gz XCZMVAFCQBUZQV-ROUUACIJSA-N 2 1 333.476 1.592 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000457820276 279127660 /nfs/dbraw/zinc/12/76/60/279127660.db2.gz VFXPUAAOWRYVMQ-HZPDHXFCSA-N 2 1 328.501 1.109 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000337438324 279346714 /nfs/dbraw/zinc/34/67/14/279346714.db2.gz XKNDWHGALMYIEE-MELADBBJSA-N 2 1 333.423 1.679 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417748402 279361346 /nfs/dbraw/zinc/36/13/46/279361346.db2.gz IDLTZWPCTPFMHN-BRWVUGGUSA-N 2 1 339.528 1.029 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000367919600 280086270 /nfs/dbraw/zinc/08/62/70/280086270.db2.gz ZRXYTJWKGWUVHN-NXHRZFHOSA-N 2 1 335.492 1.620 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000345708525 288217677 /nfs/dbraw/zinc/21/76/77/288217677.db2.gz JHKIJTVFVITYIU-BPLDGKMQSA-N 2 1 325.403 1.996 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000333708366 280358344 /nfs/dbraw/zinc/35/83/44/280358344.db2.gz RWUMVJOGAUWYFJ-QBPKDAKJSA-N 2 1 338.496 1.256 20 0 EDADMP OCc1cn(CCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000289697561 288762234 /nfs/dbraw/zinc/76/22/34/288762234.db2.gz DHKOSUQQIRVSJP-UHFFFAOYSA-N 2 1 329.448 1.415 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)N1CC[NH+](C)CC1 ZINC000291724734 289162117 /nfs/dbraw/zinc/16/21/17/289162117.db2.gz HRWXEKGAITXYMX-YQVWRLOYSA-N 2 1 344.503 1.402 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)N1CC[NH+](C)CC1 ZINC000291724734 289162121 /nfs/dbraw/zinc/16/21/21/289162121.db2.gz HRWXEKGAITXYMX-YQVWRLOYSA-N 2 1 344.503 1.402 20 0 EDADMP C[NH+]1CCC(CC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000292081661 289256895 /nfs/dbraw/zinc/25/68/95/289256895.db2.gz HVEVEFMPLPJOFQ-IBGZPJMESA-N 2 1 345.487 1.254 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292185603 289283046 /nfs/dbraw/zinc/28/30/46/289283046.db2.gz QXFCDRQQPKBJFN-PKOBYXMFSA-N 2 1 334.460 1.600 20 0 EDADMP C[NH+](C)[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCOc2ccccc21 ZINC000369601860 289339582 /nfs/dbraw/zinc/33/95/82/289339582.db2.gz MZLXONAVBBGOTN-QRWLVFNGSA-N 2 1 343.471 1.827 20 0 EDADMP C[NH+](C)[C@@]1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCOc2ccccc21 ZINC000369601860 289339584 /nfs/dbraw/zinc/33/95/84/289339584.db2.gz MZLXONAVBBGOTN-QRWLVFNGSA-N 2 1 343.471 1.827 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c2ccccc2)CC1 ZINC000292590030 289389340 /nfs/dbraw/zinc/38/93/40/289389340.db2.gz VVLFLNFQIXPNNA-OTWHNJEPSA-N 2 1 342.487 1.186 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000246582137 290042026 /nfs/dbraw/zinc/04/20/26/290042026.db2.gz VRNJBLMJVYQJNS-RBUKOAKNSA-N 2 1 344.503 1.624 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000246582137 290042027 /nfs/dbraw/zinc/04/20/27/290042027.db2.gz VRNJBLMJVYQJNS-RBUKOAKNSA-N 2 1 344.503 1.624 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000246582137 290042028 /nfs/dbraw/zinc/04/20/28/290042028.db2.gz VRNJBLMJVYQJNS-RBUKOAKNSA-N 2 1 344.503 1.624 20 0 EDADMP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328412 298103597 /nfs/dbraw/zinc/10/35/97/298103597.db2.gz MLDZKHBEZRVJJK-TWMKSMIVSA-N 2 1 337.508 1.567 20 0 EDADMP CC(C)OCCN1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000294815114 303148223 /nfs/dbraw/zinc/14/82/23/303148223.db2.gz CGLXXVNRQKXGNC-UHFFFAOYSA-N 2 1 343.431 1.450 20 0 EDADMP C[C@H]([NH2+][C@H]1CCOC1(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295245434 303193955 /nfs/dbraw/zinc/19/39/55/303193955.db2.gz PVTJMRPCMMKYRM-JQHSSLGASA-N 2 1 345.487 1.923 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CC[NH+]([C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000178383529 303578527 /nfs/dbraw/zinc/57/85/27/303578527.db2.gz VDUIXAXTWCRBIW-QYZOEREBSA-N 2 1 349.519 1.822 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000423302811 304891884 /nfs/dbraw/zinc/89/18/84/304891884.db2.gz KQXHKQHBSWDEPR-SFHVURJKSA-N 2 1 333.476 1.535 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000430597068 305057737 /nfs/dbraw/zinc/05/77/37/305057737.db2.gz YLUUIWQIIGYJJZ-ZBFHGGJFSA-N 2 1 334.464 1.706 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000430597068 305057738 /nfs/dbraw/zinc/05/77/38/305057738.db2.gz YLUUIWQIIGYJJZ-ZBFHGGJFSA-N 2 1 334.464 1.706 20 0 EDADMP COc1cccc([C@@H](C)[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430621527 305059657 /nfs/dbraw/zinc/05/96/57/305059657.db2.gz DLQVHGOANWQFND-WBVHZDCISA-N 2 1 331.460 1.900 20 0 EDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430625096 305059776 /nfs/dbraw/zinc/05/97/76/305059776.db2.gz JFTDGWUUJHZXNU-INIZCTEOSA-N 2 1 332.448 1.334 20 0 EDADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccnn2Cc2cccs2)CC1 ZINC000430918986 305068205 /nfs/dbraw/zinc/06/82/05/305068205.db2.gz JLZZEVMFXWRROR-UHFFFAOYSA-N 2 1 347.488 1.863 20 0 EDADMP Cc1cc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)n(C(C)(C)C)n1 ZINC000431029611 305073065 /nfs/dbraw/zinc/07/30/65/305073065.db2.gz FTAUEYLUQZQMHC-UHFFFAOYSA-N 2 1 333.480 1.961 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000431043871 305073632 /nfs/dbraw/zinc/07/36/32/305073632.db2.gz FVGGEYQXHXVZKO-SFHVURJKSA-N 2 1 327.428 1.943 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000431043871 305073633 /nfs/dbraw/zinc/07/36/33/305073633.db2.gz FVGGEYQXHXVZKO-SFHVURJKSA-N 2 1 327.428 1.943 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@H](O)Cc1ccccc1 ZINC000433070357 305099754 /nfs/dbraw/zinc/09/97/54/305099754.db2.gz XOLCCVJCMXZFDB-LJQANCHMSA-N 2 1 345.487 1.265 20 0 EDADMP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@H](O)Cc1ccccc1 ZINC000433070357 305099755 /nfs/dbraw/zinc/09/97/55/305099755.db2.gz XOLCCVJCMXZFDB-LJQANCHMSA-N 2 1 345.487 1.265 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000434193050 305118680 /nfs/dbraw/zinc/11/86/80/305118680.db2.gz FVIHWNOTEUPCMP-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000434193050 305118681 /nfs/dbraw/zinc/11/86/81/305118681.db2.gz FVIHWNOTEUPCMP-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434193050 305118682 /nfs/dbraw/zinc/11/86/82/305118682.db2.gz FVIHWNOTEUPCMP-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434193050 305118683 /nfs/dbraw/zinc/11/86/83/305118683.db2.gz FVIHWNOTEUPCMP-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000434693655 305127871 /nfs/dbraw/zinc/12/78/71/305127871.db2.gz OBHCUOXDCULIET-DYVFJYSZSA-N 2 1 328.420 1.777 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000435495088 305141193 /nfs/dbraw/zinc/14/11/93/305141193.db2.gz DDBQRKBWTXDXRI-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000435495088 305141195 /nfs/dbraw/zinc/14/11/95/305141195.db2.gz DDBQRKBWTXDXRI-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP CN(C)C(=O)c1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436058580 305151672 /nfs/dbraw/zinc/15/16/72/305151672.db2.gz ZBVABSKQIRLIQQ-QGZVFWFLSA-N 2 1 346.475 1.208 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000436300852 305155602 /nfs/dbraw/zinc/15/56/02/305155602.db2.gz LFWKPTXNNVGVGW-HLLBOEOZSA-N 2 1 333.476 1.672 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000436300852 305155603 /nfs/dbraw/zinc/15/56/03/305155603.db2.gz LFWKPTXNNVGVGW-HLLBOEOZSA-N 2 1 333.476 1.672 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000438549615 305186982 /nfs/dbraw/zinc/18/69/82/305186982.db2.gz FDZYOOKSLKUPTB-AEFFLSMTSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CN1CC[NH+](C)CC1 ZINC000438549615 305186983 /nfs/dbraw/zinc/18/69/83/305186983.db2.gz FDZYOOKSLKUPTB-AEFFLSMTSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CN1CC[NH+](C)CC1 ZINC000438549615 305186984 /nfs/dbraw/zinc/18/69/84/305186984.db2.gz FDZYOOKSLKUPTB-AEFFLSMTSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000438549617 305187057 /nfs/dbraw/zinc/18/70/57/305187057.db2.gz FDZYOOKSLKUPTB-SJLPKXTDSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CN1CC[NH+](C)CC1 ZINC000438549617 305187058 /nfs/dbraw/zinc/18/70/58/305187058.db2.gz FDZYOOKSLKUPTB-SJLPKXTDSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CN1CC[NH+](C)CC1 ZINC000438549617 305187059 /nfs/dbraw/zinc/18/70/59/305187059.db2.gz FDZYOOKSLKUPTB-SJLPKXTDSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCC(=O)N2CCC[C@@H]2C)CC1 ZINC000438721491 305188599 /nfs/dbraw/zinc/18/85/99/305188599.db2.gz JKFSIBAWDBYHEW-HOTGVXAUSA-N 2 1 325.497 1.412 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000442277034 305227988 /nfs/dbraw/zinc/22/79/88/305227988.db2.gz UUJGXPISGLXINO-HUUCEWRRSA-N 2 1 346.475 1.546 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000442277034 305227989 /nfs/dbraw/zinc/22/79/89/305227989.db2.gz UUJGXPISGLXINO-HUUCEWRRSA-N 2 1 346.475 1.546 20 0 EDADMP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443067854 305234381 /nfs/dbraw/zinc/23/43/81/305234381.db2.gz GYHXMUAUCORUIM-GOEBONIOSA-N 2 1 332.448 1.462 20 0 EDADMP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443066528 305234418 /nfs/dbraw/zinc/23/44/18/305234418.db2.gz FIEHVSQSKJFKSC-CQSZACIVSA-N 2 1 344.459 1.811 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C(C)C)C2)C1 ZINC000446719820 305269904 /nfs/dbraw/zinc/26/99/04/305269904.db2.gz JXGDSOTVHFHCQO-SJORKVTESA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C(C)C)C2)C1 ZINC000446719820 305269905 /nfs/dbraw/zinc/26/99/05/305269905.db2.gz JXGDSOTVHFHCQO-SJORKVTESA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C(C)C)C2)C1 ZINC000446719820 305269906 /nfs/dbraw/zinc/26/99/06/305269906.db2.gz JXGDSOTVHFHCQO-SJORKVTESA-N 2 1 325.497 1.437 20 0 EDADMP C[C@H](O)[C@H]1C[C@H](C)CC[NH+]1C[C@@H](O)C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000447264439 305276629 /nfs/dbraw/zinc/27/66/29/305276629.db2.gz BIMIWKHFCSYFPA-NOLQTVRTSA-N 2 1 342.524 1.310 20 0 EDADMP C[C@H](O)[C@H]1C[C@@H](C)CC[NH+]1C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@@H]1[C@H](C)O ZINC000447264439 305276630 /nfs/dbraw/zinc/27/66/30/305276630.db2.gz BIMIWKHFCSYFPA-NOLQTVRTSA-N 2 1 342.524 1.310 20 0 EDADMP C[C@H](O)[C@H]1C[C@@H](C)CC[NH+]1C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@@H]1[C@H](C)O ZINC000447264439 305276631 /nfs/dbraw/zinc/27/66/31/305276631.db2.gz BIMIWKHFCSYFPA-NOLQTVRTSA-N 2 1 342.524 1.310 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000449355266 305312399 /nfs/dbraw/zinc/31/23/99/305312399.db2.gz XJUIIZPSLSISRT-HXUWFJFHSA-N 2 1 345.487 1.487 20 0 EDADMP C[C@H]1C[C@H](O)C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000452064891 305381538 /nfs/dbraw/zinc/38/15/38/305381538.db2.gz GTPBABKKNZIHJD-LPHOPBHVSA-N 2 1 345.487 1.601 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000414931422 447361841 /nfs/dbraw/zinc/36/18/41/447361841.db2.gz BSIRMOPIAQZQBH-XUJVJEKNSA-N 2 1 330.432 1.386 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000414940242 447365528 /nfs/dbraw/zinc/36/55/28/447365528.db2.gz XLVZMDWLEAVWCN-CJNGLKHVSA-N 2 1 330.432 1.342 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000414940242 447365540 /nfs/dbraw/zinc/36/55/40/447365540.db2.gz XLVZMDWLEAVWCN-CJNGLKHVSA-N 2 1 330.432 1.342 20 0 EDADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCc1c[nH+]cn1C ZINC000530407252 305939891 /nfs/dbraw/zinc/93/98/91/305939891.db2.gz IFYCLIJJMFPIGL-IBGZPJMESA-N 2 1 328.460 1.934 20 0 EDADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000414945841 447366898 /nfs/dbraw/zinc/36/68/98/447366898.db2.gz SHCQFHRYLMLRLZ-DOTOQJQBSA-N 2 1 331.460 1.775 20 0 EDADMP CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000532418132 305983532 /nfs/dbraw/zinc/98/35/32/305983532.db2.gz APOOLILYKDUXEF-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C1CCOCC1 ZINC000535879400 306018609 /nfs/dbraw/zinc/01/86/09/306018609.db2.gz GDQPSTRANSENMK-AWEZNQCLSA-N 2 1 332.448 1.835 20 0 EDADMP COc1ccc(O)c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000536688795 306025264 /nfs/dbraw/zinc/02/52/64/306025264.db2.gz HVPIEHRXALLJQI-UHFFFAOYSA-N 2 1 342.399 1.800 20 0 EDADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC000542133109 306051474 /nfs/dbraw/zinc/05/14/74/306051474.db2.gz OMYUKVCXRGCCSS-ZFWWWQNUSA-N 2 1 325.478 1.859 20 0 EDADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC000542133109 306051475 /nfs/dbraw/zinc/05/14/75/306051475.db2.gz OMYUKVCXRGCCSS-ZFWWWQNUSA-N 2 1 325.478 1.859 20 0 EDADMP C[C@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000547296106 306097818 /nfs/dbraw/zinc/09/78/18/306097818.db2.gz AYXYCPNGIOYABK-HDMKZQKVSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@H](NC(=O)NC[C@]1(O)CC[NH+](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000547296106 306097819 /nfs/dbraw/zinc/09/78/19/306097819.db2.gz AYXYCPNGIOYABK-HDMKZQKVSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@H](NC(=O)NC[C@]1(O)CC[NH+](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000547296106 306097820 /nfs/dbraw/zinc/09/78/20/306097820.db2.gz AYXYCPNGIOYABK-HDMKZQKVSA-N 2 1 338.496 1.005 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[NH+](C)C ZINC000557137495 306224804 /nfs/dbraw/zinc/22/48/04/306224804.db2.gz REBJJXCMYJPLLK-GDBMZVCRSA-N 2 1 334.464 1.739 20 0 EDADMP CC[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000557182806 306225553 /nfs/dbraw/zinc/22/55/53/306225553.db2.gz MWWAQWPEBOOJNQ-FGTMMUONSA-N 2 1 346.475 1.409 20 0 EDADMP CC[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000557182806 306225554 /nfs/dbraw/zinc/22/55/54/306225554.db2.gz MWWAQWPEBOOJNQ-FGTMMUONSA-N 2 1 346.475 1.409 20 0 EDADMP C[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000458438206 447368080 /nfs/dbraw/zinc/36/80/80/447368080.db2.gz LOZGFACUAJDIRI-INIZCTEOSA-N 2 1 341.544 1.290 20 0 EDADMP COCC1(C[NH2+]Cc2cn(-c3ccncc3)nc2C)CC[NH2+]CC1 ZINC000414968949 447378975 /nfs/dbraw/zinc/37/89/75/447378975.db2.gz GELMIBQZZLEAQM-UHFFFAOYSA-N 2 1 329.448 1.682 20 0 EDADMP CO[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(N3CCN(C)CC3)nc2)C12CCC2 ZINC000449634917 447381002 /nfs/dbraw/zinc/38/10/02/447381002.db2.gz SKUBZGYCYYQMHJ-DLBZAZTESA-N 2 1 345.491 1.618 20 0 EDADMP CO[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C12CCC2 ZINC000449634917 447381017 /nfs/dbraw/zinc/38/10/17/447381017.db2.gz SKUBZGYCYYQMHJ-DLBZAZTESA-N 2 1 345.491 1.618 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C(C)C ZINC000458479419 447381112 /nfs/dbraw/zinc/38/11/12/447381112.db2.gz AOQPOLPOGMDFQQ-CALCHBBNSA-N 2 1 342.528 1.592 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(CC2CC2)nn1 ZINC000449827756 447399455 /nfs/dbraw/zinc/39/94/55/447399455.db2.gz VHTWLOJIGNNKAS-MRXNPFEDSA-N 2 1 348.495 1.176 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC2CCC([NH+](C)C)CC2)CCCO1 ZINC000422198725 447399588 /nfs/dbraw/zinc/39/95/88/447399588.db2.gz HJCIQPRJAMHICG-GTPINHCMSA-N 2 1 340.512 1.659 20 0 EDADMP CC[N@@H+](CCNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1)C1CC1 ZINC000105225017 441244005 /nfs/dbraw/zinc/24/40/05/441244005.db2.gz DKMOGPOFIBYOHQ-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CC[NH+](CCNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C1CC1 ZINC000105225017 441244009 /nfs/dbraw/zinc/24/40/09/441244009.db2.gz DKMOGPOFIBYOHQ-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CC[NH+](CCNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C1CC1 ZINC000105225017 441244014 /nfs/dbraw/zinc/24/40/14/441244014.db2.gz DKMOGPOFIBYOHQ-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CC[N@H+](CCNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C1CC1 ZINC000105225017 441244018 /nfs/dbraw/zinc/24/40/18/441244018.db2.gz DKMOGPOFIBYOHQ-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CC[N@@H+](CCNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C1CC1 ZINC000105225017 441244023 /nfs/dbraw/zinc/24/40/23/441244023.db2.gz DKMOGPOFIBYOHQ-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC000073032942 441287333 /nfs/dbraw/zinc/28/73/33/441287333.db2.gz FHJUDOXNJMKRDB-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC000073032942 441287337 /nfs/dbraw/zinc/28/73/37/441287337.db2.gz FHJUDOXNJMKRDB-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1(O)CCCC1 ZINC000073243147 441304380 /nfs/dbraw/zinc/30/43/80/441304380.db2.gz OVQLSTFGWZABIH-MRXNPFEDSA-N 2 1 325.497 1.556 20 0 EDADMP C[C@@H](CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000073331807 441310063 /nfs/dbraw/zinc/31/00/63/441310063.db2.gz MQUVBWHVZJPCTR-KRWDZBQOSA-N 2 1 344.503 1.798 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000107388538 441413757 /nfs/dbraw/zinc/41/37/57/441413757.db2.gz RBYGZVRTXJGYGW-QGZVFWFLSA-N 2 1 347.507 1.887 20 0 EDADMP CCOCCNC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000084693217 441413810 /nfs/dbraw/zinc/41/38/10/441413810.db2.gz CWLGYHZNPVEWER-UHFFFAOYSA-N 2 1 347.503 1.983 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000052120131 441436633 /nfs/dbraw/zinc/43/66/33/441436633.db2.gz YOBCCBMUITUVCC-UHFFFAOYSA-N 2 1 346.431 1.505 20 0 EDADMP CCC1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000052279644 441444777 /nfs/dbraw/zinc/44/47/77/441444777.db2.gz SPZLTSOVJKJJRO-KRWDZBQOSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)[NH+](CCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)C ZINC000074875979 441475473 /nfs/dbraw/zinc/47/54/73/441475473.db2.gz MMIDIRPNGMLXOY-SJORKVTESA-N 2 1 340.512 1.658 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000052498397 441454075 /nfs/dbraw/zinc/45/40/75/441454075.db2.gz UWYXIEXEVAOMAI-MRXNPFEDSA-N 2 1 338.496 1.415 20 0 EDADMP COc1cccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)[NH+](C)C)c1 ZINC000108541272 441461326 /nfs/dbraw/zinc/46/13/26/441461326.db2.gz WDVOJWJIQFHPBW-QAPCUYQASA-N 2 1 348.491 1.939 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000066175664 441508473 /nfs/dbraw/zinc/50/84/73/441508473.db2.gz ZLOOQTBALJFMGM-HZPDHXFCSA-N 2 1 328.501 1.373 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000066175664 441508476 /nfs/dbraw/zinc/50/84/76/441508476.db2.gz ZLOOQTBALJFMGM-HZPDHXFCSA-N 2 1 328.501 1.373 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000066175664 441508479 /nfs/dbraw/zinc/50/84/79/441508479.db2.gz ZLOOQTBALJFMGM-HZPDHXFCSA-N 2 1 328.501 1.373 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000090581922 441636522 /nfs/dbraw/zinc/63/65/22/441636522.db2.gz IARBZYMYYANOIB-AAEUAGOBSA-N 2 1 331.507 1.265 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(CO)CC1 ZINC000076991980 441705215 /nfs/dbraw/zinc/70/52/15/441705215.db2.gz DALBFRMNUANWIS-VQIMIIECSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(CO)CC1 ZINC000076991980 441705218 /nfs/dbraw/zinc/70/52/18/441705218.db2.gz DALBFRMNUANWIS-VQIMIIECSA-N 2 1 345.487 1.470 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000056530318 441722273 /nfs/dbraw/zinc/72/22/73/441722273.db2.gz AKQDRTLJBJROEN-UHFFFAOYSA-N 2 1 347.507 1.623 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N1CCCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000068423567 441795871 /nfs/dbraw/zinc/79/58/71/441795871.db2.gz XURUUWICTQHGRK-LJQANCHMSA-N 2 1 346.519 1.775 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+](C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000042920430 441798073 /nfs/dbraw/zinc/79/80/73/441798073.db2.gz ZJVOFWQJNYODGQ-QGZVFWFLSA-N 2 1 347.507 1.448 20 0 EDADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000173613735 441804898 /nfs/dbraw/zinc/80/48/98/441804898.db2.gz VVULKUMEHFOYIC-SNVBAGLBSA-N 2 1 338.374 1.225 20 0 EDADMP C[C@@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)C[NH+]1CCCC1 ZINC000121931836 441814059 /nfs/dbraw/zinc/81/40/59/441814059.db2.gz IZBGTAHTHSLCMV-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COCc2ccc(OC)cc2)C1 ZINC000173908044 441860996 /nfs/dbraw/zinc/86/09/96/441860996.db2.gz LPECWKACPDWABQ-MSOLQXFVSA-N 2 1 336.476 1.846 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COCc2ccc(OC)cc2)C1 ZINC000173908044 441861000 /nfs/dbraw/zinc/86/10/00/441861000.db2.gz LPECWKACPDWABQ-MSOLQXFVSA-N 2 1 336.476 1.846 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COCc2ccc(OC)cc2)C1 ZINC000173908044 441861005 /nfs/dbraw/zinc/86/10/05/441861005.db2.gz LPECWKACPDWABQ-MSOLQXFVSA-N 2 1 336.476 1.846 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077662652 441825190 /nfs/dbraw/zinc/82/51/90/441825190.db2.gz PPDZCUOIHVBVBQ-HOTGVXAUSA-N 2 1 340.512 1.517 20 0 EDADMP CCC1(CO)CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000093592180 441891329 /nfs/dbraw/zinc/89/13/29/441891329.db2.gz AOWNCOWQMPVKJT-UHFFFAOYSA-N 2 1 333.480 1.213 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(F)cc2c1OCOC2 ZINC000174724025 441959457 /nfs/dbraw/zinc/95/94/57/441959457.db2.gz ACVFLLDTEMKQJM-UHFFFAOYSA-N 2 1 337.439 1.762 20 0 EDADMP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174719106 441959839 /nfs/dbraw/zinc/95/98/39/441959839.db2.gz VOWMKOGORVAMLX-MRXNPFEDSA-N 2 1 348.491 1.592 20 0 EDADMP COc1cccc(COC[C@@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000162797404 442123699 /nfs/dbraw/zinc/12/36/99/442123699.db2.gz PJHWFZPLWOHOIL-BJLQDIEVSA-N 2 1 348.487 1.989 20 0 EDADMP COc1cccc(COC[C@@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000162797404 442123703 /nfs/dbraw/zinc/12/37/03/442123703.db2.gz PJHWFZPLWOHOIL-BJLQDIEVSA-N 2 1 348.487 1.989 20 0 EDADMP COc1cccc(COC[C@@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000162797404 442123708 /nfs/dbraw/zinc/12/37/08/442123708.db2.gz PJHWFZPLWOHOIL-BJLQDIEVSA-N 2 1 348.487 1.989 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[N@@H+]1C1CC1 ZINC000151806769 442123680 /nfs/dbraw/zinc/12/36/80/442123680.db2.gz FWFSIXSBALXVAQ-LRDDRELGSA-N 2 1 342.443 1.312 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[N@H+]1C1CC1 ZINC000151806769 442123682 /nfs/dbraw/zinc/12/36/82/442123682.db2.gz FWFSIXSBALXVAQ-LRDDRELGSA-N 2 1 342.443 1.312 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C[NH+]1C1CC1 ZINC000151806769 442123687 /nfs/dbraw/zinc/12/36/87/442123687.db2.gz FWFSIXSBALXVAQ-LRDDRELGSA-N 2 1 342.443 1.312 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C[NH+]1C1CC1 ZINC000151806769 442123690 /nfs/dbraw/zinc/12/36/90/442123690.db2.gz FWFSIXSBALXVAQ-LRDDRELGSA-N 2 1 342.443 1.312 20 0 EDADMP CN(CC(=O)N1CCC(c2ccccc2)=N1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152378037 442204873 /nfs/dbraw/zinc/20/48/73/442204873.db2.gz RBXYVXLTUWDYBB-MRXNPFEDSA-N 2 1 328.460 1.897 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NCc3cncn3C)cc2)CC1 ZINC000152424683 442210705 /nfs/dbraw/zinc/21/07/05/442210705.db2.gz GGKRNTISINYWAL-UHFFFAOYSA-N 2 1 341.459 1.739 20 0 EDADMP CC1(C)CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000167706396 442222126 /nfs/dbraw/zinc/22/21/26/442222126.db2.gz JPOVDCJQYAUSFD-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@H]1COCC[NH2+]1 ZINC000169245019 442226015 /nfs/dbraw/zinc/22/60/15/442226015.db2.gz MFCLFVPGAABPEN-MRXNPFEDSA-N 2 1 332.448 1.135 20 0 EDADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)CC2 ZINC000128017922 442240153 /nfs/dbraw/zinc/24/01/53/442240153.db2.gz GNQNCAYRXXEITL-YJBOKZPZSA-N 2 1 331.460 1.860 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000128363898 442262086 /nfs/dbraw/zinc/26/20/86/442262086.db2.gz IKQDYXWZQLEZJP-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000154389017 442336923 /nfs/dbraw/zinc/33/69/23/442336923.db2.gz CJJYLMARUBWZGI-CQSZACIVSA-N 2 1 343.874 1.956 20 0 EDADMP CCNC(=O)CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177481827 442347941 /nfs/dbraw/zinc/34/79/41/442347941.db2.gz ATVIFJZCPRFLCG-IYBDPMFKSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000129427943 442316101 /nfs/dbraw/zinc/31/61/01/442316101.db2.gz LRYLPOULHJEYMR-IAGOWNOFSA-N 2 1 340.512 1.326 20 0 EDADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCCC[NH+]1CCOCC1 ZINC000171730909 442375072 /nfs/dbraw/zinc/37/50/72/442375072.db2.gz PAELJFBCQIZXDQ-IAGOWNOFSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCCC[NH+]1CCOCC1 ZINC000171730909 442375073 /nfs/dbraw/zinc/37/50/73/442375073.db2.gz PAELJFBCQIZXDQ-IAGOWNOFSA-N 2 1 325.497 1.726 20 0 EDADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC(=O)N2CC[NH+](C)CC2)o1 ZINC000171764456 442378802 /nfs/dbraw/zinc/37/88/02/442378802.db2.gz XELMGLIJQYRCPE-UHFFFAOYSA-N 2 1 331.420 1.232 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000131880702 442382383 /nfs/dbraw/zinc/38/23/83/442382383.db2.gz VXXLSWPGPBXTDP-RDJZCZTQSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C[NH+]1CCCCC1 ZINC000154788603 442357327 /nfs/dbraw/zinc/35/73/27/442357327.db2.gz FYBSIZMWMOUNKF-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C[NH+]1CCCCC1 ZINC000154788504 442357373 /nfs/dbraw/zinc/35/73/73/442357373.db2.gz FYBSIZMWMOUNKF-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000155622750 442413567 /nfs/dbraw/zinc/41/35/67/442413567.db2.gz NIPNTLVBAQYZMH-SFHVURJKSA-N 2 1 333.476 1.835 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)Cn2c(C)nc3ccccc32)C[C@@H]1C ZINC000172225460 442425813 /nfs/dbraw/zinc/42/58/13/442425813.db2.gz XGSPFNPDBFIWJF-AWEZNQCLSA-N 2 1 330.432 1.524 20 0 EDADMP COCC[N@H+]1CCN(C(=O)Cn2c(C)nc3ccccc32)C[C@@H]1C ZINC000172225460 442425814 /nfs/dbraw/zinc/42/58/14/442425814.db2.gz XGSPFNPDBFIWJF-AWEZNQCLSA-N 2 1 330.432 1.524 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000178811857 442491772 /nfs/dbraw/zinc/49/17/72/442491772.db2.gz FKZGSJNJRGPXTJ-KRWDZBQOSA-N 2 1 344.503 1.390 20 0 EDADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000191581311 442469965 /nfs/dbraw/zinc/46/99/65/442469965.db2.gz SCJFEPZOWQZBSN-GOSISDBHSA-N 2 1 327.428 1.947 20 0 EDADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1 ZINC000191581311 442469969 /nfs/dbraw/zinc/46/99/69/442469969.db2.gz SCJFEPZOWQZBSN-GOSISDBHSA-N 2 1 327.428 1.947 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000179009154 442550894 /nfs/dbraw/zinc/55/08/94/442550894.db2.gz AFISYASNLQXVGP-SJLPKXTDSA-N 2 1 330.476 1.043 20 0 EDADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000186722454 442601242 /nfs/dbraw/zinc/60/12/42/442601242.db2.gz VNEWRQQUKAGFQH-YJBOKZPZSA-N 2 1 330.476 1.162 20 0 EDADMP COCCOC[C@@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192748219 442683068 /nfs/dbraw/zinc/68/30/68/442683068.db2.gz ZNXZPEHZRPMGHC-GOSISDBHSA-N 2 1 327.513 1.387 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000187907982 442697348 /nfs/dbraw/zinc/69/73/48/442697348.db2.gz NIMSUAKVJCIVLZ-DLBZAZTESA-N 2 1 331.460 1.316 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000193385310 442738021 /nfs/dbraw/zinc/73/80/21/442738021.db2.gz HWGFPGFZPNQCSX-UHFFFAOYSA-N 2 1 333.480 1.614 20 0 EDADMP C[C@@H](O)C[C@H]1CCC[N@H+]1CC1(C[NH+]2CCC[C@@H]2C[C@H](C)O)COC1 ZINC000182360472 442759995 /nfs/dbraw/zinc/75/99/95/442759995.db2.gz UGAHRGXXXFJYSQ-XMTFNYHQSA-N 2 1 340.508 1.474 20 0 EDADMP C[C@@H](O)C[C@H]1CCC[NH+]1CC1(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)COC1 ZINC000182360472 442759998 /nfs/dbraw/zinc/75/99/98/442759998.db2.gz UGAHRGXXXFJYSQ-XMTFNYHQSA-N 2 1 340.508 1.474 20 0 EDADMP C[C@@H](O)C[C@H]1CCC[NH+]1CC1(C[N@H+]2CCC[C@@H]2C[C@H](C)O)COC1 ZINC000182360472 442760001 /nfs/dbraw/zinc/76/00/01/442760001.db2.gz UGAHRGXXXFJYSQ-XMTFNYHQSA-N 2 1 340.508 1.474 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000247091204 442835091 /nfs/dbraw/zinc/83/50/91/442835091.db2.gz PUDODBGPVLEPQC-IAGOWNOFSA-N 2 1 338.496 1.225 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)c1ccsc1 ZINC000246898879 442820465 /nfs/dbraw/zinc/82/04/65/442820465.db2.gz HPUHCNMYPIUYQK-HZPDHXFCSA-N 2 1 339.505 1.968 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)c1ccsc1 ZINC000246898879 442820468 /nfs/dbraw/zinc/82/04/68/442820468.db2.gz HPUHCNMYPIUYQK-HZPDHXFCSA-N 2 1 339.505 1.968 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCOC[C@H]2C)[C@H](C)C1 ZINC000247135917 442836852 /nfs/dbraw/zinc/83/68/52/442836852.db2.gz VWNCHKCPPCWXAK-KURKYZTESA-N 2 1 327.513 1.434 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000268148626 442870133 /nfs/dbraw/zinc/87/01/33/442870133.db2.gz GLFGWFJYXZLCOB-BBRMVZONSA-N 2 1 342.447 1.667 20 0 EDADMP COC(=O)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)s1 ZINC000182953457 442853297 /nfs/dbraw/zinc/85/32/97/442853297.db2.gz NYZQCFOMTXDGBG-UHFFFAOYSA-N 2 1 325.478 1.604 20 0 EDADMP C[NH+](CCC1CCOCC1)CC(O)C[N@@H+](C)CCC1CCOCC1 ZINC000194636115 442929297 /nfs/dbraw/zinc/92/92/97/442929297.db2.gz XIVFXBSYHCHURJ-UHFFFAOYSA-N 2 1 342.524 1.844 20 0 EDADMP C[C@H](CN1CCOCC1)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000249516565 442981389 /nfs/dbraw/zinc/98/13/89/442981389.db2.gz FJHVUYZKEOPKDN-IAGOWNOFSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1C[C@@H](NCCNS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000268805314 443113618 /nfs/dbraw/zinc/11/36/18/443113618.db2.gz MALSHVIZGJPTPU-ZBFHGGJFSA-N 2 1 325.478 1.178 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000268805314 443113627 /nfs/dbraw/zinc/11/36/27/443113627.db2.gz MALSHVIZGJPTPU-ZBFHGGJFSA-N 2 1 325.478 1.178 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000190515238 443124899 /nfs/dbraw/zinc/12/48/99/443124899.db2.gz CNEVMLCGSYIDOK-QGZVFWFLSA-N 2 1 325.497 1.414 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261767118 443169147 /nfs/dbraw/zinc/16/91/47/443169147.db2.gz FNOHOKVWEDUGPA-UXLLHSPISA-N 2 1 325.497 1.615 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000185259429 443171731 /nfs/dbraw/zinc/17/17/31/443171731.db2.gz OZQUGPGGJKOTGB-JKSUJKDBSA-N 2 1 348.491 1.345 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)[C@H](C)C1 ZINC000185281631 443176388 /nfs/dbraw/zinc/17/63/88/443176388.db2.gz PQLDJJMPRHGDDD-PBHICJAKSA-N 2 1 336.455 1.877 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)[C@H](C)C1 ZINC000185281631 443176391 /nfs/dbraw/zinc/17/63/91/443176391.db2.gz PQLDJJMPRHGDDD-PBHICJAKSA-N 2 1 336.455 1.877 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000266611134 443185656 /nfs/dbraw/zinc/18/56/56/443185656.db2.gz WAHKKPPIBWKHJP-UHFFFAOYSA-N 2 1 336.480 1.386 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000266611134 443185659 /nfs/dbraw/zinc/18/56/59/443185659.db2.gz WAHKKPPIBWKHJP-UHFFFAOYSA-N 2 1 336.480 1.386 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000266611134 443185662 /nfs/dbraw/zinc/18/56/62/443185662.db2.gz WAHKKPPIBWKHJP-UHFFFAOYSA-N 2 1 336.480 1.386 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238133783 443195574 /nfs/dbraw/zinc/19/55/74/443195574.db2.gz RMIBCCBPVZSCJE-OAHLLOKOSA-N 2 1 346.479 1.197 20 0 EDADMP Cc1cc2ncn(C[C@H](O)C[N@H+](C)C3(CO)CCOCC3)c2cc1C ZINC000191012952 443225632 /nfs/dbraw/zinc/22/56/32/443225632.db2.gz PZYYVFXFWNAYSW-MRXNPFEDSA-N 2 1 347.459 1.487 20 0 EDADMP COCCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185679019 443237331 /nfs/dbraw/zinc/23/73/31/443237331.db2.gz MCOGIKIYYWHFRU-PMPSAXMXSA-N 2 1 325.497 1.770 20 0 EDADMP COCCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185679019 443237335 /nfs/dbraw/zinc/23/73/35/443237335.db2.gz MCOGIKIYYWHFRU-PMPSAXMXSA-N 2 1 325.497 1.770 20 0 EDADMP CC[N@H+]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000269109472 443200360 /nfs/dbraw/zinc/20/03/60/443200360.db2.gz NCVFVYPIRCJVFD-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP CC[NH+]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000269109472 443200365 /nfs/dbraw/zinc/20/03/65/443200365.db2.gz NCVFVYPIRCJVFD-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP CC[NH+]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000269109472 443200370 /nfs/dbraw/zinc/20/03/70/443200370.db2.gz NCVFVYPIRCJVFD-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262945505 443217449 /nfs/dbraw/zinc/21/74/49/443217449.db2.gz ARCDRHKOIIYJMU-KYJSFNMBSA-N 2 1 346.475 1.038 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000382643492 319124376 /nfs/dbraw/zinc/12/43/76/319124376.db2.gz GEQMCKUCJARFKT-ICSRJNTNSA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000382643492 319124379 /nfs/dbraw/zinc/12/43/79/319124379.db2.gz GEQMCKUCJARFKT-ICSRJNTNSA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000382643492 319124380 /nfs/dbraw/zinc/12/43/80/319124380.db2.gz GEQMCKUCJARFKT-ICSRJNTNSA-N 2 1 349.519 1.522 20 0 EDADMP C[C@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000269261930 443256354 /nfs/dbraw/zinc/25/63/54/443256354.db2.gz MXGBCAFRAKQRQD-FUHWJXTLSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000264221190 443255807 /nfs/dbraw/zinc/25/58/07/443255807.db2.gz JYCIIDVDSSHOPY-QFBILLFUSA-N 2 1 344.503 1.574 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000264221190 443255810 /nfs/dbraw/zinc/25/58/10/443255810.db2.gz JYCIIDVDSSHOPY-QFBILLFUSA-N 2 1 344.503 1.574 20 0 EDADMP CC[N@@H+]1CC[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413849682 319293612 /nfs/dbraw/zinc/29/36/12/319293612.db2.gz YBZIOTAFNJMMDP-OAHLLOKOSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413849682 319293614 /nfs/dbraw/zinc/29/36/14/319293614.db2.gz YBZIOTAFNJMMDP-OAHLLOKOSA-N 2 1 326.485 1.080 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413921119 319303402 /nfs/dbraw/zinc/30/34/02/319303402.db2.gz NYPJFIIUILSTLA-MRXNPFEDSA-N 2 1 341.496 1.452 20 0 EDADMP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC000414055990 319313680 /nfs/dbraw/zinc/31/36/80/319313680.db2.gz CZTBVWZQSZIJMY-STQMWFEESA-N 2 1 340.493 1.606 20 0 EDADMP C[N@H+](Cc1nc2ccccc2s1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414682239 319341663 /nfs/dbraw/zinc/34/16/63/319341663.db2.gz RAVWOFCUECOUQI-CYBMUJFWSA-N 2 1 332.473 1.925 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)C1 ZINC000414692707 319343384 /nfs/dbraw/zinc/34/33/84/319343384.db2.gz KWRDEEQFKNCXQR-VQIMIIECSA-N 2 1 345.487 1.556 20 0 EDADMP COCCOc1cc2c(cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)OCO2 ZINC000415127341 319346796 /nfs/dbraw/zinc/34/67/96/319346796.db2.gz MTSYFHCZRJMXKX-ZFWWWQNUSA-N 2 1 336.432 1.857 20 0 EDADMP COCCOc1cc2c(cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)OCO2 ZINC000415127341 319346798 /nfs/dbraw/zinc/34/67/98/319346798.db2.gz MTSYFHCZRJMXKX-ZFWWWQNUSA-N 2 1 336.432 1.857 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000415243259 319356557 /nfs/dbraw/zinc/35/65/57/319356557.db2.gz VUMHREWUQCVJGH-CQSZACIVSA-N 2 1 334.464 1.580 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CC)C[C@H]2CC)c1 ZINC000415268436 319358655 /nfs/dbraw/zinc/35/86/55/319358655.db2.gz VGZPNZSDEQPFHK-QGZVFWFLSA-N 2 1 346.475 1.677 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CC)C[C@H]2CC)c1 ZINC000415268436 319358657 /nfs/dbraw/zinc/35/86/57/319358657.db2.gz VGZPNZSDEQPFHK-QGZVFWFLSA-N 2 1 346.475 1.677 20 0 EDADMP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415717817 319366087 /nfs/dbraw/zinc/36/60/87/319366087.db2.gz DKDJUVLOEGJUAC-YGRLFVJLSA-N 2 1 338.839 1.288 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000416164908 319395862 /nfs/dbraw/zinc/39/58/62/319395862.db2.gz BXYCXYIXQIYKCD-SJLPKXTDSA-N 2 1 333.476 1.859 20 0 EDADMP COCC[N@H+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000416164908 319395864 /nfs/dbraw/zinc/39/58/64/319395864.db2.gz BXYCXYIXQIYKCD-SJLPKXTDSA-N 2 1 333.476 1.859 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000246257959 443283445 /nfs/dbraw/zinc/28/34/45/443283445.db2.gz TZYWJCZGZOBXOP-GOEBONIOSA-N 2 1 349.475 1.782 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000246257959 443283451 /nfs/dbraw/zinc/28/34/51/443283451.db2.gz TZYWJCZGZOBXOP-GOEBONIOSA-N 2 1 349.475 1.782 20 0 EDADMP C[C@@]1(C(N)=O)CCCC[NH+]1C/C=C/C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185917962 443283502 /nfs/dbraw/zinc/28/35/02/443283502.db2.gz VZDJYDBEBXQPOU-VUOWKATKSA-N 2 1 336.480 1.002 20 0 EDADMP C[C@@]1(C(N)=O)CCCC[NH+]1C/C=C/C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185917962 443283509 /nfs/dbraw/zinc/28/35/09/443283509.db2.gz VZDJYDBEBXQPOU-VUOWKATKSA-N 2 1 336.480 1.002 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000185810012 443261974 /nfs/dbraw/zinc/26/19/74/443261974.db2.gz GHXWATWAXYEQOC-IRXDYDNUSA-N 2 1 339.528 1.186 20 0 EDADMP COc1ccc(NC(=O)CC[NH+]2CCC([N@H+](C)CCO)CC2)cc1 ZINC000264359345 443262053 /nfs/dbraw/zinc/26/20/53/443262053.db2.gz JKAURZLYAPUUOU-UHFFFAOYSA-N 2 1 335.448 1.412 20 0 EDADMP COc1ccc(NC(=O)CC[NH+]2CCC([N@@H+](C)CCO)CC2)cc1 ZINC000264359345 443262058 /nfs/dbraw/zinc/26/20/58/443262058.db2.gz JKAURZLYAPUUOU-UHFFFAOYSA-N 2 1 335.448 1.412 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)CC[N@H+]1C ZINC000186037670 443301733 /nfs/dbraw/zinc/30/17/33/443301733.db2.gz UTGUAHRJJPQUPB-ZBFHGGJFSA-N 2 1 337.489 1.799 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000191498166 443303502 /nfs/dbraw/zinc/30/35/02/443303502.db2.gz KKEPWWJJBHLKGF-UHFFFAOYSA-N 2 1 335.452 1.488 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000191498166 443303507 /nfs/dbraw/zinc/30/35/07/443303507.db2.gz KKEPWWJJBHLKGF-UHFFFAOYSA-N 2 1 335.452 1.488 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272526508 443351386 /nfs/dbraw/zinc/35/13/86/443351386.db2.gz QJVMDLHSGMOYFK-FUHWJXTLSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272526508 443351389 /nfs/dbraw/zinc/35/13/89/443351389.db2.gz QJVMDLHSGMOYFK-FUHWJXTLSA-N 2 1 331.460 1.345 20 0 EDADMP COC(=O)CC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000267336621 443422799 /nfs/dbraw/zinc/42/27/99/443422799.db2.gz BGJWWSPBONXUDQ-UHFFFAOYSA-N 2 1 335.448 1.312 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264736597 443398112 /nfs/dbraw/zinc/39/81/12/443398112.db2.gz FVNVLXDHIBLMCP-SJLPKXTDSA-N 2 1 332.492 1.432 20 0 EDADMP NC(=O)NC(=O)OCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278984071 443481962 /nfs/dbraw/zinc/48/19/62/443481962.db2.gz ZMRQPVKGQYHNFM-UHFFFAOYSA-N 2 1 349.435 1.594 20 0 EDADMP FC(F)COc1ncccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423025087 319747085 /nfs/dbraw/zinc/74/70/85/319747085.db2.gz NMIBBUDZGHHHFZ-RBSFLKMASA-N 2 1 341.402 1.972 20 0 EDADMP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1OC ZINC000423518431 319780832 /nfs/dbraw/zinc/78/08/32/319780832.db2.gz ORIPXGPZOLLWDQ-GOEBONIOSA-N 2 1 338.448 1.750 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265391926 443625915 /nfs/dbraw/zinc/62/59/15/443625915.db2.gz OLVPKPLFSXJRFE-ZDUSSCGKSA-N 2 1 344.419 1.052 20 0 EDADMP Cc1cnc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)nc1N1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000443521852 320108280 /nfs/dbraw/zinc/10/82/80/320108280.db2.gz KMGJNNKYPNACOT-QZWWFDLISA-N 2 1 346.523 1.843 20 0 EDADMP Cc1cnc(N2C[C@H](C)[NH+](C)C[C@@H]2C)nc1N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000443521852 320108281 /nfs/dbraw/zinc/10/82/81/320108281.db2.gz KMGJNNKYPNACOT-QZWWFDLISA-N 2 1 346.523 1.843 20 0 EDADMP Cc1cnc(N2C[C@H](C)[NH+](C)C[C@@H]2C)nc1N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000443521852 320108282 /nfs/dbraw/zinc/10/82/82/320108282.db2.gz KMGJNNKYPNACOT-QZWWFDLISA-N 2 1 346.523 1.843 20 0 EDADMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444267325 320123207 /nfs/dbraw/zinc/12/32/07/320123207.db2.gz JZUKRARQVVTNBO-IEBWSBKVSA-N 2 1 346.450 1.064 20 0 EDADMP [NH3+]CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)F ZINC000449623045 320195462 /nfs/dbraw/zinc/19/54/62/320195462.db2.gz KYOLLRKDFLXXIA-CABCVRRESA-N 2 1 325.403 1.997 20 0 EDADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453644333 320266455 /nfs/dbraw/zinc/26/64/55/320266455.db2.gz MHXCTBMUYXBMBR-MRXNPFEDSA-N 2 1 332.448 1.242 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000457472871 320327179 /nfs/dbraw/zinc/32/71/79/320327179.db2.gz XWARRJKRLHQGQC-INIZCTEOSA-N 2 1 326.485 1.005 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000457717519 320333272 /nfs/dbraw/zinc/33/32/72/320333272.db2.gz UULVYYVMPIELEM-VVLHAWIVSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000457717519 320333273 /nfs/dbraw/zinc/33/32/73/320333273.db2.gz UULVYYVMPIELEM-VVLHAWIVSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000457717519 320333274 /nfs/dbraw/zinc/33/32/74/320333274.db2.gz UULVYYVMPIELEM-VVLHAWIVSA-N 2 1 340.512 1.346 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000458710109 320339036 /nfs/dbraw/zinc/33/90/36/320339036.db2.gz DRKREUQTZGLYLC-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC000458711511 320339236 /nfs/dbraw/zinc/33/92/36/320339236.db2.gz FOYGQIWKYMZPNG-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC000458711511 320339237 /nfs/dbraw/zinc/33/92/37/320339237.db2.gz FOYGQIWKYMZPNG-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000458711511 320339238 /nfs/dbraw/zinc/33/92/38/320339238.db2.gz FOYGQIWKYMZPNG-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP O[C@H](CNC1CC[NH+](C2CC2)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000298228560 443725956 /nfs/dbraw/zinc/72/59/56/443725956.db2.gz BDGGIOHYOULRPJ-HXUWFJFHSA-N 2 1 329.488 1.622 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000283807580 443727321 /nfs/dbraw/zinc/72/73/21/443727321.db2.gz ATDVICIUXPWWMG-AWEZNQCLSA-N 2 1 328.416 1.660 20 0 EDADMP CN(C)C(=O)COc1ccccc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292786326 443843246 /nfs/dbraw/zinc/84/32/46/443843246.db2.gz LYLZUKPQVSHZTF-IBGZPJMESA-N 2 1 331.460 1.681 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292786326 443843249 /nfs/dbraw/zinc/84/32/49/443843249.db2.gz LYLZUKPQVSHZTF-IBGZPJMESA-N 2 1 331.460 1.681 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292786326 443843251 /nfs/dbraw/zinc/84/32/51/443843251.db2.gz LYLZUKPQVSHZTF-IBGZPJMESA-N 2 1 331.460 1.681 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292786326 443843254 /nfs/dbraw/zinc/84/32/54/443843254.db2.gz LYLZUKPQVSHZTF-IBGZPJMESA-N 2 1 331.460 1.681 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292786326 443843257 /nfs/dbraw/zinc/84/32/57/443843257.db2.gz LYLZUKPQVSHZTF-IBGZPJMESA-N 2 1 331.460 1.681 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCCC[N@H+](C)C(C)C)cn2ccnc12 ZINC000292951927 443887041 /nfs/dbraw/zinc/88/70/41/443887041.db2.gz FFIJLJHBUIMCOQ-UHFFFAOYSA-N 2 1 331.420 1.428 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)cn2cc[nH+]c12 ZINC000292951927 443887043 /nfs/dbraw/zinc/88/70/43/443887043.db2.gz FFIJLJHBUIMCOQ-UHFFFAOYSA-N 2 1 331.420 1.428 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCCC[N@H+](C)C(C)C)cn2cc[nH+]c12 ZINC000292951927 443887044 /nfs/dbraw/zinc/88/70/44/443887044.db2.gz FFIJLJHBUIMCOQ-UHFFFAOYSA-N 2 1 331.420 1.428 20 0 EDADMP NC(=O)NC(=O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293259594 443965713 /nfs/dbraw/zinc/96/57/13/443965713.db2.gz ITBHTGUSOYCFFI-UHFFFAOYSA-N 2 1 344.459 1.560 20 0 EDADMP CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000299101342 443955257 /nfs/dbraw/zinc/95/52/57/443955257.db2.gz KTHSBRIKEVRIBR-UHFFFAOYSA-N 2 1 330.432 1.171 20 0 EDADMP CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000299101342 443955259 /nfs/dbraw/zinc/95/52/59/443955259.db2.gz KTHSBRIKEVRIBR-UHFFFAOYSA-N 2 1 330.432 1.171 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)/C=C/C[NH+](C)C ZINC000285610454 444047029 /nfs/dbraw/zinc/04/70/29/444047029.db2.gz UZGCPFFSYSVSCM-AWOXUWAMSA-N 2 1 333.480 1.379 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293435517 444016413 /nfs/dbraw/zinc/01/64/13/444016413.db2.gz PBDWLOHPGMWBJI-CQSZACIVSA-N 2 1 329.404 1.182 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293435517 444016417 /nfs/dbraw/zinc/01/64/17/444016417.db2.gz PBDWLOHPGMWBJI-CQSZACIVSA-N 2 1 329.404 1.182 20 0 EDADMP C[NH2+][C@@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1cnn(C)c1 ZINC000285691114 444075116 /nfs/dbraw/zinc/07/51/16/444075116.db2.gz AWCXENAFERVCRO-RHSMWYFYSA-N 2 1 343.475 1.926 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000557139999 321000378 /nfs/dbraw/zinc/00/03/78/321000378.db2.gz XFTXRXFNDXNKON-HZPDHXFCSA-N 2 1 330.476 1.814 20 0 EDADMP C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])C1=CC[N@@H+](C)CC1 ZINC000563093527 321095147 /nfs/dbraw/zinc/09/51/47/321095147.db2.gz SUGKTPCTNZGMHI-KBXCAEBGSA-N 2 1 328.460 1.905 20 0 EDADMP C[N@@H+](C[C@H](O)CNCc1ccccc1C[NH+]1CCC[C@@H]1CO)C1CC1 ZINC000563139089 321098332 /nfs/dbraw/zinc/09/83/32/321098332.db2.gz VJCBLBSEDRTKLQ-WOJBJXKFSA-N 2 1 347.503 1.188 20 0 EDADMP C[NH+](C[C@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000563139089 321098333 /nfs/dbraw/zinc/09/83/33/321098333.db2.gz VJCBLBSEDRTKLQ-WOJBJXKFSA-N 2 1 347.503 1.188 20 0 EDADMP C[NH+](C[C@H](O)CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000563139089 321098334 /nfs/dbraw/zinc/09/83/34/321098334.db2.gz VJCBLBSEDRTKLQ-WOJBJXKFSA-N 2 1 347.503 1.188 20 0 EDADMP CN(C[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000563139089 321098335 /nfs/dbraw/zinc/09/83/35/321098335.db2.gz VJCBLBSEDRTKLQ-WOJBJXKFSA-N 2 1 347.503 1.188 20 0 EDADMP CN(C[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000563139089 321098336 /nfs/dbraw/zinc/09/83/36/321098336.db2.gz VJCBLBSEDRTKLQ-WOJBJXKFSA-N 2 1 347.503 1.188 20 0 EDADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)CN(C)CC[NH3+])CC2)cc1 ZINC000563212406 321100657 /nfs/dbraw/zinc/10/06/57/321100657.db2.gz XIOWBLUTFKQVBJ-UHFFFAOYSA-N 2 1 332.492 1.345 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000564432075 321131322 /nfs/dbraw/zinc/13/13/22/321131322.db2.gz WXOBRZUURUWBGF-WMZOPIPTSA-N 2 1 346.475 1.138 20 0 EDADMP C[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)[NH+]1CCN(c2ccccc2)CC1 ZINC000565039714 321165485 /nfs/dbraw/zinc/16/54/85/321165485.db2.gz BDDOFNIOKWPTRF-MDZRGWNJSA-N 2 1 328.460 1.065 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)c2cccs2)CC1 ZINC000565040761 321165774 /nfs/dbraw/zinc/16/57/74/321165774.db2.gz WZGAXTZTYPDRTI-CABCVRRESA-N 2 1 336.505 1.295 20 0 EDADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000565360878 321183426 /nfs/dbraw/zinc/18/34/26/321183426.db2.gz CADGWNUHLBQPLH-HZPDHXFCSA-N 2 1 337.508 1.914 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000566009861 321210848 /nfs/dbraw/zinc/21/08/48/321210848.db2.gz OZJBAECWWLKTJI-QBYUYEEZSA-N 2 1 346.475 1.180 20 0 EDADMP CC[C@@H](NC(=O)CCCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566190538 321221817 /nfs/dbraw/zinc/22/18/17/321221817.db2.gz FMLHILNEVCNBKV-MSOLQXFVSA-N 2 1 333.476 1.911 20 0 EDADMP CC[C@@H](NC(=O)CCCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566190538 321221818 /nfs/dbraw/zinc/22/18/18/321221818.db2.gz FMLHILNEVCNBKV-MSOLQXFVSA-N 2 1 333.476 1.911 20 0 EDADMP CCC[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CC[N@H+]1CCOC ZINC000568396851 321289967 /nfs/dbraw/zinc/28/99/67/321289967.db2.gz YVBNHUWWWMDWIM-HUUCEWRRSA-N 2 1 329.510 1.041 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000568998560 321314116 /nfs/dbraw/zinc/31/41/16/321314116.db2.gz XPDDWZBOEXTPKH-CQSZACIVSA-N 2 1 325.419 1.648 20 0 EDADMP C[C@@]1(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000570028718 321334670 /nfs/dbraw/zinc/33/46/70/321334670.db2.gz KSJUXYVTUWDXGV-PKOBYXMFSA-N 2 1 330.476 1.950 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nnnn3CC2)C[C@@H]1c1ccccc1 ZINC000570953190 321366478 /nfs/dbraw/zinc/36/64/78/321366478.db2.gz VSFZSJMGDOFKRN-YESZJQIVSA-N 2 1 326.448 1.803 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3nnnn3CC2)C[C@@H]1c1ccccc1 ZINC000570953190 321366479 /nfs/dbraw/zinc/36/64/79/321366479.db2.gz VSFZSJMGDOFKRN-YESZJQIVSA-N 2 1 326.448 1.803 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000571267804 321381545 /nfs/dbraw/zinc/38/15/45/321381545.db2.gz IJFDEDJBHSMNIT-PMPSAXMXSA-N 2 1 326.485 1.031 20 0 EDADMP [NH3+]C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000571670796 321396304 /nfs/dbraw/zinc/39/63/04/321396304.db2.gz PJAIYZGVNRGISC-OKZBNKHCSA-N 2 1 328.460 1.640 20 0 EDADMP C[C@H](C(=O)N1CCO[C@H]2CC[NH+](C)C[C@@H]21)[N@H+](C)Cc1ccccc1 ZINC000285989811 444170312 /nfs/dbraw/zinc/17/03/12/444170312.db2.gz YHBVQNIKBZTCOV-NJAFHUGGSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@H](C(=O)N1CCO[C@H]2CC[NH+](C)C[C@@H]21)[N@@H+](C)Cc1ccccc1 ZINC000285989811 444170314 /nfs/dbraw/zinc/17/03/14/444170314.db2.gz YHBVQNIKBZTCOV-NJAFHUGGSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@H](C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21)[NH+](C)Cc1ccccc1 ZINC000285989811 444170316 /nfs/dbraw/zinc/17/03/16/444170316.db2.gz YHBVQNIKBZTCOV-NJAFHUGGSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@H](C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21)[NH+](C)Cc1ccccc1 ZINC000285989811 444170320 /nfs/dbraw/zinc/17/03/20/444170320.db2.gz YHBVQNIKBZTCOV-NJAFHUGGSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000289613250 444180872 /nfs/dbraw/zinc/18/08/72/444180872.db2.gz ATLKOKPYZJCTSN-ZHALLVOQSA-N 2 1 344.503 1.701 20 0 EDADMP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c(C)s1 ZINC000576027167 321540639 /nfs/dbraw/zinc/54/06/39/321540639.db2.gz OGOAKMXOTJRNBG-ZIAGYGMSSA-N 2 1 345.534 1.893 20 0 EDADMP CNc1cc(N2CCC[C@@H]2CNc2ccncc2C(N)=O)ncn1 ZINC000302020971 444200873 /nfs/dbraw/zinc/20/08/73/444200873.db2.gz HZRORFHPJICUIR-LLVKDONJSA-N 2 1 327.392 1.093 20 0 EDADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000305167245 444262250 /nfs/dbraw/zinc/26/22/50/444262250.db2.gz YSXIKIQADLRBDZ-MRXNPFEDSA-N 2 1 325.884 1.817 20 0 EDADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000305167242 444262293 /nfs/dbraw/zinc/26/22/93/444262293.db2.gz YSXIKIQADLRBDZ-INIZCTEOSA-N 2 1 325.884 1.817 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3CC[NH2+][C@H]3C(C)C)CC2)nc(C)[nH+]1 ZINC000290301245 444264572 /nfs/dbraw/zinc/26/45/72/444264572.db2.gz FBGSINYFIMISPB-AEFFLSMTSA-N 2 1 345.491 1.813 20 0 EDADMP OC[C@@H]1CCCCN1c1cc(N2CCC[N@H+](C3CC3)CC2)ncn1 ZINC000302917192 444231906 /nfs/dbraw/zinc/23/19/06/444231906.db2.gz WSCYCHZHQGEDDN-INIZCTEOSA-N 2 1 331.464 1.502 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000303032696 444232295 /nfs/dbraw/zinc/23/22/95/444232295.db2.gz XRNDDDIJHOYINR-MHORFTMASA-N 2 1 337.508 1.817 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCN2CCCC[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000303032696 444232296 /nfs/dbraw/zinc/23/22/96/444232296.db2.gz XRNDDDIJHOYINR-MHORFTMASA-N 2 1 337.508 1.817 20 0 EDADMP Cc1ccc(OC[C@H](O)C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000304171250 444242483 /nfs/dbraw/zinc/24/24/83/444242483.db2.gz RIDNIODJRLWJHQ-RTBURBONSA-N 2 1 347.503 1.447 20 0 EDADMP Cc1ccc(OC[C@H](O)C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000304171250 444242486 /nfs/dbraw/zinc/24/24/86/444242486.db2.gz RIDNIODJRLWJHQ-RTBURBONSA-N 2 1 347.503 1.447 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)CC2 ZINC000577956448 321699458 /nfs/dbraw/zinc/69/94/58/321699458.db2.gz CHAHRKKRUQXDIN-DOTOQJQBSA-N 2 1 334.464 1.323 20 0 EDADMP C[C@H](NC(=O)COC1(C)C[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310426397 444291711 /nfs/dbraw/zinc/29/17/11/444291711.db2.gz PDONYXNHBNXGQC-RDJZCZTQSA-N 2 1 331.460 1.392 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000297861376 444342849 /nfs/dbraw/zinc/34/28/49/444342849.db2.gz PYAMCKHTKXWYFX-ZWKOTPCHSA-N 2 1 348.491 1.435 20 0 EDADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000340182311 444367410 /nfs/dbraw/zinc/36/74/10/444367410.db2.gz VHNSWTLCVUAUEX-QGZVFWFLSA-N 2 1 337.489 1.785 20 0 EDADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3COC[C@H]3n3ccnn3)CC2)C1 ZINC000328982098 444433722 /nfs/dbraw/zinc/43/37/22/444433722.db2.gz YLMOMVOBVKVFFV-XOYOTBSWSA-N 2 1 333.480 1.851 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4c(c3)oc(=O)n4C)C2)CC1 ZINC000340564117 444440121 /nfs/dbraw/zinc/44/01/21/444440121.db2.gz UNAMKIULJSOQBG-MRXNPFEDSA-N 2 1 344.459 1.343 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1CCOCC[NH+]1CCN(C)C[C@@H]1CC ZINC000580066414 322004616 /nfs/dbraw/zinc/00/46/16/322004616.db2.gz HFFKLBHWIQZRAZ-ROUUACIJSA-N 2 1 326.529 1.055 20 0 EDADMP CC[C@H]1C[NH+](C)CCN1CCOCC[N@@H+]1CCN(C)C[C@@H]1CC ZINC000580066414 322004617 /nfs/dbraw/zinc/00/46/17/322004617.db2.gz HFFKLBHWIQZRAZ-ROUUACIJSA-N 2 1 326.529 1.055 20 0 EDADMP CC[C@H]1C[NH+](C)CCN1CCOCC[N@H+]1CCN(C)C[C@@H]1CC ZINC000580066414 322004618 /nfs/dbraw/zinc/00/46/18/322004618.db2.gz HFFKLBHWIQZRAZ-ROUUACIJSA-N 2 1 326.529 1.055 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000580419888 322047803 /nfs/dbraw/zinc/04/78/03/322047803.db2.gz QPCLLFRLGKMYIK-CRAIPNDOSA-N 2 1 346.475 1.316 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000580547819 322064906 /nfs/dbraw/zinc/06/49/06/322064906.db2.gz WXUMHZYIMSKAIF-HKUYNNGSSA-N 2 1 328.460 1.372 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)NC2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000580549966 322065249 /nfs/dbraw/zinc/06/52/49/322065249.db2.gz WVPPKZSVWCGGOP-UHFFFAOYSA-N 2 1 344.503 1.694 20 0 EDADMP CC(C)C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)[NH+]1CCOCC1 ZINC000580949773 322116371 /nfs/dbraw/zinc/11/63/71/322116371.db2.gz YUNWSVAXCVSRHW-JENIJYKNSA-N 2 1 337.508 1.629 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000580960706 322118462 /nfs/dbraw/zinc/11/84/62/322118462.db2.gz ANYSHKFMTFUSAH-OKZBNKHCSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000580960706 322118464 /nfs/dbraw/zinc/11/84/64/322118464.db2.gz ANYSHKFMTFUSAH-OKZBNKHCSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000580960706 322118466 /nfs/dbraw/zinc/11/84/66/322118466.db2.gz ANYSHKFMTFUSAH-OKZBNKHCSA-N 2 1 336.524 1.345 20 0 EDADMP c1nnc([C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)[nH]1 ZINC000581187318 322146744 /nfs/dbraw/zinc/14/67/44/322146744.db2.gz YLNUZKTXODOXNC-KRWDZBQOSA-N 2 1 327.432 1.626 20 0 EDADMP c1nnc([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)[nH]1 ZINC000581187318 322146746 /nfs/dbraw/zinc/14/67/46/322146746.db2.gz YLNUZKTXODOXNC-KRWDZBQOSA-N 2 1 327.432 1.626 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000581676473 322208260 /nfs/dbraw/zinc/20/82/60/322208260.db2.gz YMIOHHANYHYHDM-LJQANCHMSA-N 2 1 346.519 1.508 20 0 EDADMP CN(C)CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581676473 322208262 /nfs/dbraw/zinc/20/82/62/322208262.db2.gz YMIOHHANYHYHDM-LJQANCHMSA-N 2 1 346.519 1.508 20 0 EDADMP CN(C)CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581676473 322208266 /nfs/dbraw/zinc/20/82/66/322208266.db2.gz YMIOHHANYHYHDM-LJQANCHMSA-N 2 1 346.519 1.508 20 0 EDADMP CN(CCCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC[NH+](C)C ZINC000581676473 322208268 /nfs/dbraw/zinc/20/82/68/322208268.db2.gz YMIOHHANYHYHDM-LJQANCHMSA-N 2 1 346.519 1.508 20 0 EDADMP CN(CCCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC[NH+](C)C ZINC000581676473 322208271 /nfs/dbraw/zinc/20/82/71/322208271.db2.gz YMIOHHANYHYHDM-LJQANCHMSA-N 2 1 346.519 1.508 20 0 EDADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000581934409 322234913 /nfs/dbraw/zinc/23/49/13/322234913.db2.gz NHQGPQBWIQZUSG-DOTOQJQBSA-N 2 1 335.423 1.983 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000338101131 444516734 /nfs/dbraw/zinc/51/67/34/444516734.db2.gz PSHFTEYCDAHGOR-SJORKVTESA-N 2 1 349.479 1.259 20 0 EDADMP COCc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342126073 444522264 /nfs/dbraw/zinc/52/22/64/444522264.db2.gz LNLKTBQKDGOGAP-RCCFBDPRSA-N 2 1 331.460 1.508 20 0 EDADMP COCc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342126073 444522270 /nfs/dbraw/zinc/52/22/70/444522270.db2.gz LNLKTBQKDGOGAP-RCCFBDPRSA-N 2 1 331.460 1.508 20 0 EDADMP Cc1cn2c(n1)[C@H](CNC(=O)N1C[C@H]3CCC[N@@H+]3C[C@@H]1C)CCC2 ZINC000332700857 444529116 /nfs/dbraw/zinc/52/91/16/444529116.db2.gz BHRUGQZZPBIWSB-HRCADAONSA-N 2 1 331.464 1.947 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000340898827 444564977 /nfs/dbraw/zinc/56/49/77/444564977.db2.gz PMHKGAFJXYBHAU-SJLPKXTDSA-N 2 1 334.508 1.288 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@H](O)C[C@H]3C)CC2)cc1 ZINC000340919737 444576501 /nfs/dbraw/zinc/57/65/01/444576501.db2.gz WIRMKVMNLQASOM-IEBWSBKVSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H](O)C[C@H]3C)CC2)cc1 ZINC000340919737 444576502 /nfs/dbraw/zinc/57/65/02/444576502.db2.gz WIRMKVMNLQASOM-IEBWSBKVSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H](O)C[C@H]3C)CC2)cc1 ZINC000340919737 444576504 /nfs/dbraw/zinc/57/65/04/444576504.db2.gz WIRMKVMNLQASOM-IEBWSBKVSA-N 2 1 345.487 1.484 20 0 EDADMP C[N@H+](CCCOc1ccc(F)cc1)CCC(=O)N1CC[NH+](C)CC1 ZINC000338235221 444578286 /nfs/dbraw/zinc/57/82/86/444578286.db2.gz JOWOMONJBGEYEB-UHFFFAOYSA-N 2 1 337.439 1.691 20 0 EDADMP C[N@@H+](CCCOc1ccc(F)cc1)CCC(=O)N1CC[NH+](C)CC1 ZINC000338235221 444578291 /nfs/dbraw/zinc/57/82/91/444578291.db2.gz JOWOMONJBGEYEB-UHFFFAOYSA-N 2 1 337.439 1.691 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000342165577 444543818 /nfs/dbraw/zinc/54/38/18/444543818.db2.gz KQHXNUVDFUGTEN-UHFFFAOYSA-N 2 1 337.508 1.966 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000340949139 444591408 /nfs/dbraw/zinc/59/14/08/444591408.db2.gz CRCAVIURFBNEHT-WBVHZDCISA-N 2 1 348.491 1.909 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000340963342 444600612 /nfs/dbraw/zinc/60/06/12/444600612.db2.gz JWLJRAVXQHXCJO-YESZJQIVSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000340963342 444600615 /nfs/dbraw/zinc/60/06/15/444600615.db2.gz JWLJRAVXQHXCJO-YESZJQIVSA-N 2 1 340.512 1.515 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000338312974 444625936 /nfs/dbraw/zinc/62/59/36/444625936.db2.gz GALIDZVBFPFGQV-HZPDHXFCSA-N 2 1 329.510 1.218 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000338312974 444625942 /nfs/dbraw/zinc/62/59/42/444625942.db2.gz GALIDZVBFPFGQV-HZPDHXFCSA-N 2 1 329.510 1.218 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)[C@H]2C1 ZINC000333322049 444657629 /nfs/dbraw/zinc/65/76/29/444657629.db2.gz NDOZBGJOHVLCDN-CJNGLKHVSA-N 2 1 330.432 1.727 20 0 EDADMP C[NH+](CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@@H]1CCSC1 ZINC000343966983 444699674 /nfs/dbraw/zinc/69/96/74/444699674.db2.gz YYSRNXTZIUBTKF-HZPDHXFCSA-N 2 1 325.522 1.614 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000343966983 444699676 /nfs/dbraw/zinc/69/96/76/444699676.db2.gz YYSRNXTZIUBTKF-HZPDHXFCSA-N 2 1 325.522 1.614 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000343966983 444699677 /nfs/dbraw/zinc/69/96/77/444699677.db2.gz YYSRNXTZIUBTKF-HZPDHXFCSA-N 2 1 325.522 1.614 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCC[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000343992693 444714954 /nfs/dbraw/zinc/71/49/54/444714954.db2.gz NGUYZQHXEMOXQG-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCN[C@@H](c1nccn1C)C1CC1 ZINC000342505208 444721369 /nfs/dbraw/zinc/72/13/69/444721369.db2.gz SGGDLSWYOLBPSN-HZPDHXFCSA-N 2 1 333.480 1.404 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000333943789 444725152 /nfs/dbraw/zinc/72/51/52/444725152.db2.gz RJKKWYJPLOCZLR-JFIYKMOQSA-N 2 1 345.491 1.858 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)[N@H+]1CCC[C@@H](C)C1 ZINC000333943789 444725155 /nfs/dbraw/zinc/72/51/55/444725155.db2.gz RJKKWYJPLOCZLR-JFIYKMOQSA-N 2 1 345.491 1.858 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000333965760 444730915 /nfs/dbraw/zinc/73/09/15/444730915.db2.gz QHEPTJZQNDJSRK-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000333965760 444730918 /nfs/dbraw/zinc/73/09/18/444730918.db2.gz QHEPTJZQNDJSRK-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCCC[NH+]2CCCC2)C[C@@H]1CC ZINC000342571662 444749249 /nfs/dbraw/zinc/74/92/49/444749249.db2.gz TYTVGPICDICZJS-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000334020802 444749418 /nfs/dbraw/zinc/74/94/18/444749418.db2.gz CYEAOGKHXUQYDX-KFWWJZLASA-N 2 1 326.485 1.268 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000334020802 444749421 /nfs/dbraw/zinc/74/94/21/444749421.db2.gz CYEAOGKHXUQYDX-KFWWJZLASA-N 2 1 326.485 1.268 20 0 EDADMP C[C@]1(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000342710849 444828345 /nfs/dbraw/zinc/82/83/45/444828345.db2.gz LLZSCMYDHQBUDB-FQEVSTJZSA-N 2 1 344.503 1.310 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000337139362 444958644 /nfs/dbraw/zinc/95/86/44/444958644.db2.gz PXPOSEGXXTYBHH-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000337139362 444958649 /nfs/dbraw/zinc/95/86/49/444958649.db2.gz PXPOSEGXXTYBHH-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000337139362 444958654 /nfs/dbraw/zinc/95/86/54/444958654.db2.gz PXPOSEGXXTYBHH-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP C[NH+](C)CCOc1ccc(CNC(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000337183816 444976720 /nfs/dbraw/zinc/97/67/20/444976720.db2.gz NKFDWLDJLIPSPP-UHFFFAOYSA-N 2 1 334.464 1.474 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000341668058 444940762 /nfs/dbraw/zinc/94/07/62/444940762.db2.gz VGDSUUDCTFGGSR-IRXDYDNUSA-N 2 1 325.497 1.581 20 0 EDADMP Cc1ccc(NC(=O)C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c(C)n1 ZINC000341833614 445024856 /nfs/dbraw/zinc/02/48/56/445024856.db2.gz HRHDGJIREJKPLB-GDZNZVCISA-N 2 1 344.459 1.826 20 0 EDADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)NCCF ZINC000337377380 445054070 /nfs/dbraw/zinc/05/40/70/445054070.db2.gz HISFOKKWBWKVDD-LEUOFYLZSA-N 2 1 333.451 1.961 20 0 EDADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C(=O)NCCF ZINC000337377382 445054810 /nfs/dbraw/zinc/05/48/10/445054810.db2.gz HISFOKKWBWKVDD-XOYOTBSWSA-N 2 1 333.451 1.961 20 0 EDADMP O=S1(=O)CCC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)C1 ZINC000341910279 445067072 /nfs/dbraw/zinc/06/70/72/445067072.db2.gz LFGBSINVYMCCSI-VYDXJSESSA-N 2 1 326.506 1.760 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCN(CC(F)(F)F)CC1 ZINC000339169271 445071038 /nfs/dbraw/zinc/07/10/38/445071038.db2.gz NTPXQQRTLRCHBF-WFASDCNBSA-N 2 1 337.430 1.694 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCN(CC(F)(F)F)CC1 ZINC000339169271 445071042 /nfs/dbraw/zinc/07/10/42/445071042.db2.gz NTPXQQRTLRCHBF-WFASDCNBSA-N 2 1 337.430 1.694 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H](COCC3CC3)C2)CC1 ZINC000337422540 445073491 /nfs/dbraw/zinc/07/34/91/445073491.db2.gz QNUJVLMWZIHRAM-IBGZPJMESA-N 2 1 339.524 1.530 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H](COCC3CC3)C2)CC1 ZINC000337422540 445073496 /nfs/dbraw/zinc/07/34/96/445073496.db2.gz QNUJVLMWZIHRAM-IBGZPJMESA-N 2 1 339.524 1.530 20 0 EDADMP CC[N@@H+](CCNC(=O)c1ccc(CN2CCOCC2)cn1)C1CC1 ZINC000343276852 445173614 /nfs/dbraw/zinc/17/36/14/445173614.db2.gz SONXREKRTUQFBK-UHFFFAOYSA-N 2 1 332.448 1.128 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C[C@H]21 ZINC000342113962 445178369 /nfs/dbraw/zinc/17/83/69/445178369.db2.gz WLADTQSVVNWXKC-QBPKDAKJSA-N 2 1 329.444 1.166 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C[C@H]21 ZINC000342113962 445178374 /nfs/dbraw/zinc/17/83/74/445178374.db2.gz WLADTQSVVNWXKC-QBPKDAKJSA-N 2 1 329.444 1.166 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000345429337 445186365 /nfs/dbraw/zinc/18/63/65/445186365.db2.gz HAHVDDFOYJMKAB-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000345582054 445191902 /nfs/dbraw/zinc/19/19/02/445191902.db2.gz GMUJAYHJNOMSSX-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000345582054 445191904 /nfs/dbraw/zinc/19/19/04/445191904.db2.gz GMUJAYHJNOMSSX-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000345582054 445191905 /nfs/dbraw/zinc/19/19/05/445191905.db2.gz GMUJAYHJNOMSSX-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000345582054 445191906 /nfs/dbraw/zinc/19/19/06/445191906.db2.gz GMUJAYHJNOMSSX-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000345582054 445191907 /nfs/dbraw/zinc/19/19/07/445191907.db2.gz GMUJAYHJNOMSSX-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000339549148 445148971 /nfs/dbraw/zinc/14/89/71/445148971.db2.gz WHHGXRMJNOIISV-KZNAEPCWSA-N 2 1 334.508 1.987 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000343446767 445224509 /nfs/dbraw/zinc/22/45/09/445224509.db2.gz MCOTXIHVZMKZAD-RHSMWYFYSA-N 2 1 334.439 1.849 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000343446767 445224512 /nfs/dbraw/zinc/22/45/12/445224512.db2.gz MCOTXIHVZMKZAD-RHSMWYFYSA-N 2 1 334.439 1.849 20 0 EDADMP CC(CN1C[C@@H]2CCC[NH+]2C[C@@H]1C)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000346645763 445221501 /nfs/dbraw/zinc/22/15/01/445221501.db2.gz PXJHLQPBRHDSSQ-MUGJNUQGSA-N 2 1 334.552 1.960 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[NH+](C)[C@H](C)CC)CC[N@H+]1CCOC ZINC000347073577 445231029 /nfs/dbraw/zinc/23/10/29/445231029.db2.gz RRAALPKNOZHSCT-SJORKVTESA-N 2 1 342.528 1.859 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[N@H+](C)[C@H](C)CC)CC[NH+]1CCOC ZINC000347073577 445231030 /nfs/dbraw/zinc/23/10/30/445231030.db2.gz RRAALPKNOZHSCT-SJORKVTESA-N 2 1 342.528 1.859 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[N@@H+](C)[C@H](C)CC)CC[NH+]1CCOC ZINC000347073577 445231031 /nfs/dbraw/zinc/23/10/31/445231031.db2.gz RRAALPKNOZHSCT-SJORKVTESA-N 2 1 342.528 1.859 20 0 EDADMP CCOC(=O)[C@](C)(O)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348330920 445259030 /nfs/dbraw/zinc/25/90/30/445259030.db2.gz ZEAXUTKXXGFDQJ-ZHALLVOQSA-N 2 1 332.444 1.364 20 0 EDADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000348121252 445279880 /nfs/dbraw/zinc/27/98/80/445279880.db2.gz BYJDWCXPWNHZOU-YLFCFFPRSA-N 2 1 338.496 1.364 20 0 EDADMP CC(C)[C@@]1(CO)CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000354559445 445294498 /nfs/dbraw/zinc/29/44/98/445294498.db2.gz FIWFBRSLLXQOIM-IBGZPJMESA-N 2 1 347.507 1.459 20 0 EDADMP CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000354559445 445294502 /nfs/dbraw/zinc/29/45/02/445294502.db2.gz FIWFBRSLLXQOIM-IBGZPJMESA-N 2 1 347.507 1.459 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000354657597 445329319 /nfs/dbraw/zinc/32/93/19/445329319.db2.gz QIEUCGIHFOZGJG-QGZVFWFLSA-N 2 1 339.528 1.186 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000354682632 445339360 /nfs/dbraw/zinc/33/93/60/445339360.db2.gz VLNSYUMZIHFOMA-KRWDZBQOSA-N 2 1 346.475 1.013 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000351857603 445344686 /nfs/dbraw/zinc/34/46/86/445344686.db2.gz XZQGYIXYYYVYMF-YESZJQIVSA-N 2 1 330.476 1.298 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000351857603 445344688 /nfs/dbraw/zinc/34/46/88/445344688.db2.gz XZQGYIXYYYVYMF-YESZJQIVSA-N 2 1 330.476 1.298 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000351860947 445345690 /nfs/dbraw/zinc/34/56/90/445345690.db2.gz JRTFVDHXFGJUPF-IHRRRGAJSA-N 2 1 335.448 1.550 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000351860947 445345692 /nfs/dbraw/zinc/34/56/92/445345692.db2.gz JRTFVDHXFGJUPF-IHRRRGAJSA-N 2 1 335.448 1.550 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000351861405 445346124 /nfs/dbraw/zinc/34/61/24/445346124.db2.gz LDGNPSUWZMKNQC-ULQDDVLXSA-N 2 1 330.476 1.393 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000351884990 445355031 /nfs/dbraw/zinc/35/50/31/445355031.db2.gz CLERIEVWKYOWEW-RDJZCZTQSA-N 2 1 340.512 1.469 20 0 EDADMP CCC[N@@H+](C)CC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000359672452 445368104 /nfs/dbraw/zinc/36/81/04/445368104.db2.gz IFMLELZQURIADD-GJZGRUSLSA-N 2 1 339.505 1.968 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000359742456 445402638 /nfs/dbraw/zinc/40/26/38/445402638.db2.gz JLMVLRAAODFXJT-NVXWUHKLSA-N 2 1 325.497 1.866 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000359742456 445402641 /nfs/dbraw/zinc/40/26/41/445402641.db2.gz JLMVLRAAODFXJT-NVXWUHKLSA-N 2 1 325.497 1.866 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000359742456 445402643 /nfs/dbraw/zinc/40/26/43/445402643.db2.gz JLMVLRAAODFXJT-NVXWUHKLSA-N 2 1 325.497 1.866 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000362479759 445404851 /nfs/dbraw/zinc/40/48/51/445404851.db2.gz OPMBDCNAKYKQMI-YJBOKZPZSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1N1CCOCC1 ZINC000359772398 445419680 /nfs/dbraw/zinc/41/96/80/445419680.db2.gz FZUQSURVECOHIV-NEWSRXKRSA-N 2 1 345.487 1.859 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+](CCO)CC3CCCCC3)cn2)CC1 ZINC000362517466 445421203 /nfs/dbraw/zinc/42/12/03/445421203.db2.gz ZZDVMAWNMLVSPF-UHFFFAOYSA-N 2 1 347.507 1.603 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+](CCO)CC3CCCCC3)cn2)CC1 ZINC000362517466 445421204 /nfs/dbraw/zinc/42/12/04/445421204.db2.gz ZZDVMAWNMLVSPF-UHFFFAOYSA-N 2 1 347.507 1.603 20 0 EDADMP C[C@@H]1CN(Cc2nnc(-c3ccco3)o2)CC[N@H+]1C1CCN(C)CC1 ZINC000362639210 445474551 /nfs/dbraw/zinc/47/45/51/445474551.db2.gz KLSWRYQGVYVNSQ-CQSZACIVSA-N 2 1 345.447 1.930 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000362655841 445481272 /nfs/dbraw/zinc/48/12/72/445481272.db2.gz ASFHXBICOAMFON-ZACQAIPSSA-N 2 1 340.512 1.325 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[NH2+][C@@H]2CCSC2)cc[nH+]1 ZINC000348932213 445445942 /nfs/dbraw/zinc/44/59/42/445445942.db2.gz VPLKFQRJJHSYTR-JHJVBQTASA-N 2 1 325.457 1.555 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)NCCCC[NH+]1CCOCC1 ZINC000348942310 445450415 /nfs/dbraw/zinc/45/04/15/445450415.db2.gz SDFZNFTVRKDPQY-UHFFFAOYSA-N 2 1 345.487 1.663 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CCOC3C[NH2+]C3)c2)C[C@@H](C)O1 ZINC000348988649 445467056 /nfs/dbraw/zinc/46/70/56/445467056.db2.gz BOKJULNHCCUQLO-HUUCEWRRSA-N 2 1 347.459 1.613 20 0 EDADMP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000362708381 445511289 /nfs/dbraw/zinc/51/12/89/445511289.db2.gz BFMSUQABGJPTBA-IKGGRYGDSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000362708381 445511291 /nfs/dbraw/zinc/51/12/91/445511291.db2.gz BFMSUQABGJPTBA-IKGGRYGDSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)C1 ZINC000362708381 445511294 /nfs/dbraw/zinc/51/12/94/445511294.db2.gz BFMSUQABGJPTBA-IKGGRYGDSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)C1 ZINC000362708381 445511296 /nfs/dbraw/zinc/51/12/96/445511296.db2.gz BFMSUQABGJPTBA-IKGGRYGDSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000362721594 445518540 /nfs/dbraw/zinc/51/85/40/445518540.db2.gz BQSFPAPLAGYTGI-OWSLCNJRSA-N 2 1 336.524 1.201 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000357287917 445526773 /nfs/dbraw/zinc/52/67/73/445526773.db2.gz KLMJCAZTSAROJG-KRWDZBQOSA-N 2 1 346.475 1.677 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000362746247 445529734 /nfs/dbraw/zinc/52/97/34/445529734.db2.gz SYJPCUCGWWNBED-QAPCUYQASA-N 2 1 333.476 1.831 20 0 EDADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362672326 445491295 /nfs/dbraw/zinc/49/12/95/445491295.db2.gz MGULTGLYSKCZMJ-INIZCTEOSA-N 2 1 330.432 1.041 20 0 EDADMP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000359928193 445492329 /nfs/dbraw/zinc/49/23/29/445492329.db2.gz ZITICXWBDCHUSL-RTBURBONSA-N 2 1 345.487 1.979 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362802706 445556722 /nfs/dbraw/zinc/55/67/22/445556722.db2.gz VEMCCYRFPPTKFZ-GDBMZVCRSA-N 2 1 331.464 1.554 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000357315961 445544925 /nfs/dbraw/zinc/54/49/25/445544925.db2.gz VPOSCNJOUAKPBO-KRWDZBQOSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000357315961 445544930 /nfs/dbraw/zinc/54/49/30/445544930.db2.gz VPOSCNJOUAKPBO-KRWDZBQOSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000357315961 445544934 /nfs/dbraw/zinc/54/49/34/445544934.db2.gz VPOSCNJOUAKPBO-KRWDZBQOSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000357315961 445544939 /nfs/dbraw/zinc/54/49/39/445544939.db2.gz VPOSCNJOUAKPBO-KRWDZBQOSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCC(=O)NC)CC1 ZINC000353439725 445603248 /nfs/dbraw/zinc/60/32/48/445603248.db2.gz INGNDFRCADCQOG-UHFFFAOYSA-N 2 1 332.492 1.787 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C(=O)N[C@H](C)C[NH+](C)C)CC2)CC1 ZINC000358492905 445622425 /nfs/dbraw/zinc/62/24/25/445622425.db2.gz GVEQFAZLALFUAB-MRXNPFEDSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504839 445623338 /nfs/dbraw/zinc/62/33/38/445623338.db2.gz ITLWWARFOMCZMM-LSDHHAIUSA-N 2 1 336.480 1.466 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000349660465 445638392 /nfs/dbraw/zinc/63/83/92/445638392.db2.gz BZBLLKIPJVKATB-MSOLQXFVSA-N 2 1 348.491 1.179 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000360236078 445646939 /nfs/dbraw/zinc/64/69/39/445646939.db2.gz ZBZIAIJMBKVKRK-OTWHNJEPSA-N 2 1 341.540 1.560 20 0 EDADMP C[NH+](C)C[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000358580343 445660049 /nfs/dbraw/zinc/66/00/49/445660049.db2.gz XKYAMRJVTSDNBF-UAFMIMERSA-N 2 1 331.504 1.799 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCSC1 ZINC000360259773 445663132 /nfs/dbraw/zinc/66/31/32/445663132.db2.gz ZJCYMCGJOKIWIN-CZUORRHYSA-N 2 1 326.510 1.207 20 0 EDADMP CCC[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000358608295 445673271 /nfs/dbraw/zinc/67/32/71/445673271.db2.gz ARHHZPKEZPXPMU-MRXNPFEDSA-N 2 1 332.448 1.417 20 0 EDADMP CCC[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000358608295 445673273 /nfs/dbraw/zinc/67/32/73/445673273.db2.gz ARHHZPKEZPXPMU-MRXNPFEDSA-N 2 1 332.448 1.417 20 0 EDADMP CCC[NH+](C)CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000358608295 445673275 /nfs/dbraw/zinc/67/32/75/445673275.db2.gz ARHHZPKEZPXPMU-MRXNPFEDSA-N 2 1 332.448 1.417 20 0 EDADMP CCC[NH+](C)CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000358608295 445673278 /nfs/dbraw/zinc/67/32/78/445673278.db2.gz ARHHZPKEZPXPMU-MRXNPFEDSA-N 2 1 332.448 1.417 20 0 EDADMP CCn1nc(C)c(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1C ZINC000353670540 445700422 /nfs/dbraw/zinc/70/04/22/445700422.db2.gz LUQAQDJCFSCGNV-UHFFFAOYSA-N 2 1 335.496 1.602 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000349934199 445726315 /nfs/dbraw/zinc/72/63/15/445726315.db2.gz MTFZQLJPPLCXTE-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360742690 445730735 /nfs/dbraw/zinc/73/07/35/445730735.db2.gz ADLBRACKZFNQOV-HLLBOEOZSA-N 2 1 340.537 1.692 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccccc3C)CC2)C1 ZINC000363261754 445744656 /nfs/dbraw/zinc/74/46/56/445744656.db2.gz PGFPOPKRFFUHEA-SFHVURJKSA-N 2 1 331.460 1.360 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccccc3C)CC2)C1 ZINC000363261754 445744660 /nfs/dbraw/zinc/74/46/60/445744660.db2.gz PGFPOPKRFFUHEA-SFHVURJKSA-N 2 1 331.460 1.360 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)N2CCC[C@H]2C)C1 ZINC000350180074 445787170 /nfs/dbraw/zinc/78/71/70/445787170.db2.gz CYAKIKNUTMGLSL-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]([C@H](C)O)C2)CC1 ZINC000356443672 445792313 /nfs/dbraw/zinc/79/23/13/445792313.db2.gz FODXAZOSTKGNDT-ZIFCJYIRSA-N 2 1 345.487 1.595 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]([C@H](C)O)C2)CC1 ZINC000356443672 445792315 /nfs/dbraw/zinc/79/23/15/445792315.db2.gz FODXAZOSTKGNDT-ZIFCJYIRSA-N 2 1 345.487 1.595 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000350267826 445803720 /nfs/dbraw/zinc/80/37/20/445803720.db2.gz OMKFIJHSDBAHKF-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000350267826 445803724 /nfs/dbraw/zinc/80/37/24/445803724.db2.gz OMKFIJHSDBAHKF-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000350284598 445806055 /nfs/dbraw/zinc/80/60/55/445806055.db2.gz DYCKVMBYNRRECL-CABCVRRESA-N 2 1 342.484 1.042 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000358846558 445807669 /nfs/dbraw/zinc/80/76/69/445807669.db2.gz KTOGAEATZCUESB-NVXWUHKLSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000359013583 445887991 /nfs/dbraw/zinc/88/79/91/445887991.db2.gz BKGHXROTFNQDOI-AYBZRNKSSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000359013583 445887994 /nfs/dbraw/zinc/88/79/94/445887994.db2.gz BKGHXROTFNQDOI-AYBZRNKSSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000359013583 445887998 /nfs/dbraw/zinc/88/79/98/445887998.db2.gz BKGHXROTFNQDOI-AYBZRNKSSA-N 2 1 346.475 1.015 20 0 EDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)C1 ZINC000358941128 445858531 /nfs/dbraw/zinc/85/85/31/445858531.db2.gz XVOYKZSUGYYQTA-LSDHHAIUSA-N 2 1 339.505 1.943 20 0 EDADMP CC[N@H+](C)CCNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000354021690 445859235 /nfs/dbraw/zinc/85/92/35/445859235.db2.gz HIOJOTQRUNANOC-HOTGVXAUSA-N 2 1 333.476 1.977 20 0 EDADMP CC[N@@H+](C)CCNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000354021690 445859238 /nfs/dbraw/zinc/85/92/38/445859238.db2.gz HIOJOTQRUNANOC-HOTGVXAUSA-N 2 1 333.476 1.977 20 0 EDADMP CN1C[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)Cc2ccccc21 ZINC000372932105 445928797 /nfs/dbraw/zinc/92/87/97/445928797.db2.gz ZUWMYEOWXFIIGC-INIZCTEOSA-N 2 1 345.491 1.131 20 0 EDADMP Cc1ccc(CCC[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000354133524 445932205 /nfs/dbraw/zinc/93/22/05/445932205.db2.gz GRSCJXAYHDDJMK-GOSISDBHSA-N 2 1 332.492 1.855 20 0 EDADMP Cc1ccc(CCC[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000354133524 445932210 /nfs/dbraw/zinc/93/22/10/445932210.db2.gz GRSCJXAYHDDJMK-GOSISDBHSA-N 2 1 332.492 1.855 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)NC3CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC000369118753 445939848 /nfs/dbraw/zinc/93/98/48/445939848.db2.gz IOXSPERPZPFPIP-INIZCTEOSA-N 2 1 346.479 1.456 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000356644508 445909950 /nfs/dbraw/zinc/90/99/50/445909950.db2.gz AMNOBLUNMICBQI-CVEARBPZSA-N 2 1 340.512 1.659 20 0 EDADMP CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000350919222 445949311 /nfs/dbraw/zinc/94/93/11/445949311.db2.gz OCRWFXJUKPIOBJ-UHFFFAOYSA-N 2 1 332.448 1.857 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@H]2CCc3nc[nH]c3C2)C[C@@H]1C ZINC000366136118 446035513 /nfs/dbraw/zinc/03/55/13/446035513.db2.gz LXSFZGFAYQAZSH-MJBXVCDLSA-N 2 1 335.452 1.018 20 0 EDADMP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H]2CCc3[nH]cnc3C2)C[C@@H]1C ZINC000366136118 446035515 /nfs/dbraw/zinc/03/55/15/446035515.db2.gz LXSFZGFAYQAZSH-MJBXVCDLSA-N 2 1 335.452 1.018 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@H]2CCc3[nH]cnc3C2)C[C@@H]1C ZINC000366136118 446035518 /nfs/dbraw/zinc/03/55/18/446035518.db2.gz LXSFZGFAYQAZSH-MJBXVCDLSA-N 2 1 335.452 1.018 20 0 EDADMP COCCN1[C@H](C)CN(C(=O)N[C@H]2CCc3nc[nH]c3C2)C[C@@H]1C ZINC000366136118 446035522 /nfs/dbraw/zinc/03/55/22/446035522.db2.gz LXSFZGFAYQAZSH-MJBXVCDLSA-N 2 1 335.452 1.018 20 0 EDADMP C[N@H+](C[C@H](O)CN1CC[NH+](C/C=C\c2ccccc2)CC1)C1CC1 ZINC000351343841 446037049 /nfs/dbraw/zinc/03/70/49/446037049.db2.gz ULWPGEDHKDNKHL-VORVDVFJSA-N 2 1 329.488 1.773 20 0 EDADMP C[N@@H+](C[C@H](O)CN1CC[NH+](C/C=C\c2ccccc2)CC1)C1CC1 ZINC000351343841 446037053 /nfs/dbraw/zinc/03/70/53/446037053.db2.gz ULWPGEDHKDNKHL-VORVDVFJSA-N 2 1 329.488 1.773 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000583371576 326059518 /nfs/dbraw/zinc/05/95/18/326059518.db2.gz YZNICSSZNMADKD-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)[C@@H](C)C1 ZINC000583635701 326109444 /nfs/dbraw/zinc/10/94/44/326109444.db2.gz RGIHDVPKICPKOH-JZXOWHBKSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000583811675 326144727 /nfs/dbraw/zinc/14/47/27/326144727.db2.gz PAJUQGGPZHBQFG-HZPDHXFCSA-N 2 1 334.468 1.163 20 0 EDADMP CSc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000583871842 326157275 /nfs/dbraw/zinc/15/72/75/326157275.db2.gz FAXWKVSAUNVTBX-LSDHHAIUSA-N 2 1 340.489 1.195 20 0 EDADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000583875698 326158644 /nfs/dbraw/zinc/15/86/44/326158644.db2.gz QLRYUGWNGSESML-VQIMIIECSA-N 2 1 332.488 1.978 20 0 EDADMP CC[C@H](C(=O)N[C@@H]1CC[NH+](CCOC)C1)[N@@H+](C)Cc1ccccc1 ZINC000354286254 446082013 /nfs/dbraw/zinc/08/20/13/446082013.db2.gz XGBOWLXDECORPK-QZTJIDSGSA-N 2 1 333.476 1.734 20 0 EDADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCOC)C1)[NH+](C)Cc1ccccc1 ZINC000354286254 446082017 /nfs/dbraw/zinc/08/20/17/446082017.db2.gz XGBOWLXDECORPK-QZTJIDSGSA-N 2 1 333.476 1.734 20 0 EDADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCOC)C1)[NH+](C)Cc1ccccc1 ZINC000354286254 446082021 /nfs/dbraw/zinc/08/20/21/446082021.db2.gz XGBOWLXDECORPK-QZTJIDSGSA-N 2 1 333.476 1.734 20 0 EDADMP CO[C@@H]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000359250152 446084190 /nfs/dbraw/zinc/08/41/90/446084190.db2.gz VUTCQAXBEKZOHP-ZTFGCOKTSA-N 2 1 331.460 1.398 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369641577 446138126 /nfs/dbraw/zinc/13/81/26/446138126.db2.gz UMXNPOQJOCGHLQ-QWHCGFSZSA-N 2 1 335.452 1.390 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369641577 446138130 /nfs/dbraw/zinc/13/81/30/446138130.db2.gz UMXNPOQJOCGHLQ-QWHCGFSZSA-N 2 1 335.452 1.390 20 0 EDADMP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)CC2 ZINC000369652784 446139549 /nfs/dbraw/zinc/13/95/49/446139549.db2.gz FEELMRCDXCJMHD-ZBFHGGJFSA-N 2 1 346.479 1.850 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000369660728 446140975 /nfs/dbraw/zinc/14/09/75/446140975.db2.gz LNAKATVIYOENNR-UHFFFAOYSA-N 2 1 342.528 1.859 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000359351313 446167770 /nfs/dbraw/zinc/16/77/70/446167770.db2.gz ZBHUDZZSFUQMQU-SJORKVTESA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000365375010 446175148 /nfs/dbraw/zinc/17/51/48/446175148.db2.gz DCZCAVNEJBLMFT-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369663025 446142469 /nfs/dbraw/zinc/14/24/69/446142469.db2.gz SBFPMVGALRGVNK-ULQDDVLXSA-N 2 1 331.464 1.707 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369663025 446142478 /nfs/dbraw/zinc/14/24/78/446142478.db2.gz SBFPMVGALRGVNK-ULQDDVLXSA-N 2 1 331.464 1.707 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)C(=O)OC ZINC000354453635 446215849 /nfs/dbraw/zinc/21/58/49/446215849.db2.gz XVMDOGJHDRSECT-LSDHHAIUSA-N 2 1 327.469 1.060 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC000362218376 446268509 /nfs/dbraw/zinc/26/85/09/446268509.db2.gz JHPTVFYAKHTBOO-MRXNPFEDSA-N 2 1 325.416 1.534 20 0 EDADMP CN(C)Cc1cc(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)no1 ZINC000359560425 446290845 /nfs/dbraw/zinc/29/08/45/446290845.db2.gz GSDHRJFPAWQBIG-DOTOQJQBSA-N 2 1 328.416 1.564 20 0 EDADMP CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000362288634 446307626 /nfs/dbraw/zinc/30/76/26/446307626.db2.gz QHLIYQGMCWJDMN-SNVBAGLBSA-N 2 1 333.367 1.426 20 0 EDADMP COC(=O)c1ccnc(N2CCC([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000362306720 446313891 /nfs/dbraw/zinc/31/38/91/446313891.db2.gz ZZTPBISKPBLVOT-PBHICJAKSA-N 2 1 346.475 1.909 20 0 EDADMP COC(=O)c1ccnc(N2CCC([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000362306720 446313894 /nfs/dbraw/zinc/31/38/94/446313894.db2.gz ZZTPBISKPBLVOT-PBHICJAKSA-N 2 1 346.475 1.909 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C1CC1 ZINC000366716742 446320632 /nfs/dbraw/zinc/32/06/32/446320632.db2.gz GBSDUXNFLLGFAA-KBXCAEBGSA-N 2 1 333.480 1.404 20 0 EDADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000373743226 446321055 /nfs/dbraw/zinc/32/10/55/446321055.db2.gz UULLSYIUTGLAIX-GOSISDBHSA-N 2 1 330.476 1.857 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000366745313 446332354 /nfs/dbraw/zinc/33/23/54/446332354.db2.gz MNQHSHJQWFMQDM-FGTMMUONSA-N 2 1 337.508 1.330 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN2Cc2ccccn2)CC[N@H+]1C ZINC000365765788 446334572 /nfs/dbraw/zinc/33/45/72/446334572.db2.gz FPCMBZDUAZDKIJ-NJAFHUGGSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC[N@@H+]1C ZINC000365765788 446334576 /nfs/dbraw/zinc/33/45/76/446334576.db2.gz FPCMBZDUAZDKIJ-NJAFHUGGSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC[N@H+]1C ZINC000365765788 446334580 /nfs/dbraw/zinc/33/45/80/446334580.db2.gz FPCMBZDUAZDKIJ-NJAFHUGGSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC[NH+]1C ZINC000365765788 446334584 /nfs/dbraw/zinc/33/45/84/446334584.db2.gz FPCMBZDUAZDKIJ-NJAFHUGGSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC[NH+]1C ZINC000365765788 446334588 /nfs/dbraw/zinc/33/45/88/446334588.db2.gz FPCMBZDUAZDKIJ-NJAFHUGGSA-N 2 1 330.476 1.987 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000417667720 446369387 /nfs/dbraw/zinc/36/93/87/446369387.db2.gz HJYNZUADLFSDCR-QAETUUGQSA-N 2 1 340.512 1.515 20 0 EDADMP COC(=O)c1cc(C)nc(N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000376228485 446390943 /nfs/dbraw/zinc/39/09/43/446390943.db2.gz LPOOBMZNEDYRTL-HNNXBMFYSA-N 2 1 347.463 1.176 20 0 EDADMP COC(=O)c1cc(C)nc(N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000376228486 446391240 /nfs/dbraw/zinc/39/12/40/446391240.db2.gz LPOOBMZNEDYRTL-OAHLLOKOSA-N 2 1 347.463 1.176 20 0 EDADMP CO[C@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000374783605 446392465 /nfs/dbraw/zinc/39/24/65/446392465.db2.gz ZLVFNERCLFHXKX-GOSISDBHSA-N 2 1 334.460 1.533 20 0 EDADMP C[C@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)CN1CC[NH+](C)CC1 ZINC000370770329 446428971 /nfs/dbraw/zinc/42/89/71/446428971.db2.gz CNZIYBIOROWKHT-MRXNPFEDSA-N 2 1 347.507 1.026 20 0 EDADMP COCCCn1nccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000374890522 446438760 /nfs/dbraw/zinc/43/87/60/446438760.db2.gz BQIMHYNBKHJQLY-SFHVURJKSA-N 2 1 349.523 1.520 20 0 EDADMP COCCCn1nccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000374890522 446438763 /nfs/dbraw/zinc/43/87/63/446438763.db2.gz BQIMHYNBKHJQLY-SFHVURJKSA-N 2 1 349.523 1.520 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000418155858 446443491 /nfs/dbraw/zinc/44/34/91/446443491.db2.gz ABYBRKIIVJXTIB-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H]1[NH2+]CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@H]1C ZINC000418004677 446412421 /nfs/dbraw/zinc/41/24/21/446412421.db2.gz ZVJATXFGTODJHH-MPGHIAIKSA-N 2 1 346.475 1.145 20 0 EDADMP C[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418012161 446415201 /nfs/dbraw/zinc/41/52/01/446415201.db2.gz RVOSYQPYWXDBJD-UKRRQHHQSA-N 2 1 340.418 1.790 20 0 EDADMP C[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418012161 446415205 /nfs/dbraw/zinc/41/52/05/446415205.db2.gz RVOSYQPYWXDBJD-UKRRQHHQSA-N 2 1 340.418 1.790 20 0 EDADMP CC[NH2+]CC1CC[NH+](CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 ZINC000420291252 446454166 /nfs/dbraw/zinc/45/41/66/446454166.db2.gz NBAFHOVIJPNYMO-UHFFFAOYSA-N 2 1 335.448 1.922 20 0 EDADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000423211121 446455380 /nfs/dbraw/zinc/45/53/80/446455380.db2.gz YAPZNDWUSYAACF-GOSISDBHSA-N 2 1 330.520 1.577 20 0 EDADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NCCN2CC[NH2+]CC2)CC1 ZINC000423211121 446455383 /nfs/dbraw/zinc/45/53/83/446455383.db2.gz YAPZNDWUSYAACF-GOSISDBHSA-N 2 1 330.520 1.577 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(Nc3ccc(F)cc3)CC2)CC1 ZINC000374916077 446456775 /nfs/dbraw/zinc/45/67/75/446456775.db2.gz RIJPNAAVYKXHIM-UHFFFAOYSA-N 2 1 348.466 1.866 20 0 EDADMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 ZINC000420296626 446458866 /nfs/dbraw/zinc/45/88/66/446458866.db2.gz QKSHJDUOGDZKTA-CYBMUJFWSA-N 2 1 335.448 1.921 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000420298431 446461519 /nfs/dbraw/zinc/46/15/19/446461519.db2.gz FHBVNGIISXEVBG-FHWLQOOXSA-N 2 1 345.487 1.156 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCC[NH2+]C ZINC000418279174 446481279 /nfs/dbraw/zinc/48/12/79/446481279.db2.gz OSAXZKIQHNEPTD-KRWDZBQOSA-N 2 1 333.480 1.687 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000376382314 446465686 /nfs/dbraw/zinc/46/56/86/446465686.db2.gz DAOGJQAMNLWOLO-GOSISDBHSA-N 2 1 330.476 1.306 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000370842246 446474677 /nfs/dbraw/zinc/47/46/77/446474677.db2.gz FUTDJLKHGGGPAV-HZMVEIRTSA-N 2 1 338.496 1.221 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000370842246 446474685 /nfs/dbraw/zinc/47/46/85/446474685.db2.gz FUTDJLKHGGGPAV-HZMVEIRTSA-N 2 1 338.496 1.221 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000370842246 446474691 /nfs/dbraw/zinc/47/46/91/446474691.db2.gz FUTDJLKHGGGPAV-HZMVEIRTSA-N 2 1 338.496 1.221 20 0 EDADMP COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000420315261 446479420 /nfs/dbraw/zinc/47/94/20/446479420.db2.gz WTMRDRRKFQOSLN-GHYVTOPFSA-N 2 1 349.456 1.309 20 0 EDADMP COC(=O)c1ccsc1N1CC[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000420315261 446479423 /nfs/dbraw/zinc/47/94/23/446479423.db2.gz WTMRDRRKFQOSLN-GHYVTOPFSA-N 2 1 349.456 1.309 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@@H]1c1ccccc1 ZINC000418190174 446453772 /nfs/dbraw/zinc/45/37/72/446453772.db2.gz WEKLHSPBFYDITC-OTRWWLKZSA-N 2 1 334.464 1.483 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@@H]1c1ccccc1 ZINC000418190174 446453778 /nfs/dbraw/zinc/45/37/78/446453778.db2.gz WEKLHSPBFYDITC-OTRWWLKZSA-N 2 1 334.464 1.483 20 0 EDADMP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322002 446488173 /nfs/dbraw/zinc/48/81/73/446488173.db2.gz DPJUICLBTQOQKC-ZBFHGGJFSA-N 2 1 349.450 1.518 20 0 EDADMP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322002 446488182 /nfs/dbraw/zinc/48/81/82/446488182.db2.gz DPJUICLBTQOQKC-ZBFHGGJFSA-N 2 1 349.450 1.518 20 0 EDADMP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420323221 446489885 /nfs/dbraw/zinc/48/98/85/446489885.db2.gz FWPMUPQHELNDBT-CABCVRRESA-N 2 1 347.459 1.710 20 0 EDADMP COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420323221 446489889 /nfs/dbraw/zinc/48/98/89/446489889.db2.gz FWPMUPQHELNDBT-CABCVRRESA-N 2 1 347.459 1.710 20 0 EDADMP C[C@H](C1CC1)N(C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C1CC1 ZINC000420324748 446491829 /nfs/dbraw/zinc/49/18/29/446491829.db2.gz HOXZESNTHGPLID-ZBFHGGJFSA-N 2 1 335.492 1.463 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000423332651 446492012 /nfs/dbraw/zinc/49/20/12/446492012.db2.gz QWMMJCJPPWAMKI-COXVUDFISA-N 2 1 344.459 1.463 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000423342028 446496402 /nfs/dbraw/zinc/49/64/02/446496402.db2.gz CPMHXJGCTLFSHR-WMLDXEAASA-N 2 1 344.459 1.401 20 0 EDADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000420325718 446493151 /nfs/dbraw/zinc/49/31/51/446493151.db2.gz BRTBWPPSICIZLN-MJBXVCDLSA-N 2 1 333.398 1.719 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418313627 446495413 /nfs/dbraw/zinc/49/54/13/446495413.db2.gz QWNNJBFKHKTLQO-HRCADAONSA-N 2 1 326.485 1.127 20 0 EDADMP Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420331105 446501277 /nfs/dbraw/zinc/50/12/77/446501277.db2.gz QPOVLYCWJHHCLL-SJLPKXTDSA-N 2 1 345.487 1.687 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420331180 446501456 /nfs/dbraw/zinc/50/14/56/446501456.db2.gz BSHQIUVPENEEOG-ROUUACIJSA-N 2 1 345.487 1.975 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NCc2ccccc2F)CC1 ZINC000420332694 446503201 /nfs/dbraw/zinc/50/32/01/446503201.db2.gz SDJQYWBWINJGKT-AEFFLSMTSA-N 2 1 335.423 1.270 20 0 EDADMP CC(C)[C@@H](O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000432781077 446503524 /nfs/dbraw/zinc/50/35/24/446503524.db2.gz MPCIHOGEPBHRKK-NUJGCVRESA-N 2 1 328.497 1.594 20 0 EDADMP COC[C@@]1(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC[NH2+]C1 ZINC000423374759 446506885 /nfs/dbraw/zinc/50/68/85/446506885.db2.gz IJMDKHYXDKHHLT-HNAYVOBHSA-N 2 1 347.459 1.644 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423395460 446516430 /nfs/dbraw/zinc/51/64/30/446516430.db2.gz SYKWKOLMRSWZFA-IPYPFGDCSA-N 2 1 325.478 1.728 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000418354957 446512323 /nfs/dbraw/zinc/51/23/23/446512323.db2.gz WUVBDGASFMDLON-AEFFLSMTSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H]1C[N@H+](CCCNc2cc[nH+]c(N3CCCCC3)n2)CCCO1 ZINC000432846165 446512794 /nfs/dbraw/zinc/51/27/94/446512794.db2.gz IEZJZKQOEIJMBU-INIZCTEOSA-N 2 1 333.480 2.380 20 0 EDADMP C[C@H]1C[N@@H+](CCCNc2cc[nH+]c(N3CCCCC3)n2)CCCO1 ZINC000432846165 446512798 /nfs/dbraw/zinc/51/27/98/446512798.db2.gz IEZJZKQOEIJMBU-INIZCTEOSA-N 2 1 333.480 2.380 20 0 EDADMP CCC[NH2+]CCNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000418484952 446560856 /nfs/dbraw/zinc/56/08/56/446560856.db2.gz ZSZJARRNOXWOMN-KRWDZBQOSA-N 2 1 333.480 1.545 20 0 EDADMP COc1ccc(OCCC[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420385534 446561121 /nfs/dbraw/zinc/56/11/21/446561121.db2.gz SZIUDMMFVFOSCJ-INIZCTEOSA-N 2 1 345.447 1.851 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423532905 446564398 /nfs/dbraw/zinc/56/43/98/446564398.db2.gz RZATWDHTNMAIEY-LRDDRELGSA-N 2 1 325.478 1.763 20 0 EDADMP C[C@H]1CC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000420389441 446565270 /nfs/dbraw/zinc/56/52/70/446565270.db2.gz YJQNJKQFCVLSNV-GJZGRUSLSA-N 2 1 329.444 1.980 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420345739 446518976 /nfs/dbraw/zinc/51/89/76/446518976.db2.gz WNQNNFNDOAGYFH-CVEARBPZSA-N 2 1 344.459 1.436 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418402343 446530630 /nfs/dbraw/zinc/53/06/30/446530630.db2.gz ZDNYEBDWYOERMX-APWZRJJASA-N 2 1 348.491 1.120 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420353040 446531586 /nfs/dbraw/zinc/53/15/86/446531586.db2.gz BGXIXADWKRZUBS-HNNXBMFYSA-N 2 1 325.478 1.415 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)CC3(C[NH3+])CC3)C2)cc(OC)c1 ZINC000423428647 446533025 /nfs/dbraw/zinc/53/30/25/446533025.db2.gz JOUWKCYOMIIOFA-HNNXBMFYSA-N 2 1 347.459 1.523 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)CC3(C[NH3+])CC3)C2)cc(OC)c1 ZINC000423428647 446533032 /nfs/dbraw/zinc/53/30/32/446533032.db2.gz JOUWKCYOMIIOFA-HNNXBMFYSA-N 2 1 347.459 1.523 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418415574 446535920 /nfs/dbraw/zinc/53/59/20/446535920.db2.gz NWEYKSCWYIEABU-IEBWSBKVSA-N 2 1 348.491 1.296 20 0 EDADMP [NH3+]C1CCN(CCCC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000433155802 446539571 /nfs/dbraw/zinc/53/95/71/446539571.db2.gz ZDADKZLJTBDUBI-GOSISDBHSA-N 2 1 336.524 1.667 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418431798 446542848 /nfs/dbraw/zinc/54/28/48/446542848.db2.gz RIALAWQJTNBAOP-KRWDZBQOSA-N 2 1 334.464 1.439 20 0 EDADMP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420367313 446545455 /nfs/dbraw/zinc/54/54/55/446545455.db2.gz VJQGTUUBAXZIKB-KBPBESRZSA-N 2 1 325.478 1.717 20 0 EDADMP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCOCC[NH3+] ZINC000420368685 446547048 /nfs/dbraw/zinc/54/70/48/446547048.db2.gz IDEMEIHOCKYGES-QFBILLFUSA-N 2 1 334.508 1.898 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420379612 446556967 /nfs/dbraw/zinc/55/69/67/446556967.db2.gz XTDYZOKEJJHXRM-MRXNPFEDSA-N 2 1 332.448 1.611 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC[N@H+]1CCOC ZINC000418600446 446610114 /nfs/dbraw/zinc/61/01/14/446610114.db2.gz KVMUCZYBYRSTDX-ARFHVFGLSA-N 2 1 326.485 1.269 20 0 EDADMP CC[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)C3CCCCC3)CC2)C1 ZINC000376550979 446569583 /nfs/dbraw/zinc/56/95/83/446569583.db2.gz IIEMEOQIEAPESW-OALUTQOASA-N 2 1 339.524 1.266 20 0 EDADMP CC[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)C3CCCCC3)CC2)C1 ZINC000376550979 446569589 /nfs/dbraw/zinc/56/95/89/446569589.db2.gz IIEMEOQIEAPESW-OALUTQOASA-N 2 1 339.524 1.266 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000418516420 446576707 /nfs/dbraw/zinc/57/67/07/446576707.db2.gz ZRYZFZMZIVGUGQ-QGZVFWFLSA-N 2 1 348.491 1.528 20 0 EDADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC1CC[NH+](C2CC2)CC1 ZINC000420406534 446579865 /nfs/dbraw/zinc/57/98/65/446579865.db2.gz UMXRSDJOKFKZNQ-CRAIPNDOSA-N 3 1 334.508 1.193 20 0 EDADMP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC1CC[NH+](C2CC2)CC1 ZINC000420406534 446579871 /nfs/dbraw/zinc/57/98/71/446579871.db2.gz UMXRSDJOKFKZNQ-CRAIPNDOSA-N 3 1 334.508 1.193 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000411666148 446639117 /nfs/dbraw/zinc/63/91/17/446639117.db2.gz LUUFAPKNWSEFRK-KRWDZBQOSA-N 2 1 346.475 1.135 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000411666148 446639120 /nfs/dbraw/zinc/63/91/20/446639120.db2.gz LUUFAPKNWSEFRK-KRWDZBQOSA-N 2 1 346.475 1.135 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000423734518 446667527 /nfs/dbraw/zinc/66/75/27/446667527.db2.gz WAHJZEBDXTVNPZ-XUWVNRHRSA-N 2 1 345.491 1.964 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000423734518 446667532 /nfs/dbraw/zinc/66/75/32/446667532.db2.gz WAHJZEBDXTVNPZ-XUWVNRHRSA-N 2 1 345.491 1.964 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000423734518 446667538 /nfs/dbraw/zinc/66/75/38/446667538.db2.gz WAHJZEBDXTVNPZ-XUWVNRHRSA-N 2 1 345.491 1.964 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)C2)C1 ZINC000418641875 446628855 /nfs/dbraw/zinc/62/88/55/446628855.db2.gz SRXIHQKWTQNWFA-MJGOQNOKSA-N 2 1 328.460 1.611 20 0 EDADMP COC(=O)CNC(=O)CN1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371105395 446631570 /nfs/dbraw/zinc/63/15/70/446631570.db2.gz CLDUCOFPOFODFX-KRWDZBQOSA-N 2 1 347.459 1.262 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC2)cn1 ZINC000423757531 446686951 /nfs/dbraw/zinc/68/69/51/446686951.db2.gz MRYPRBRTYZQNGD-AEFFLSMTSA-N 2 1 349.523 1.947 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC2)cn1 ZINC000423757531 446686959 /nfs/dbraw/zinc/68/69/59/446686959.db2.gz MRYPRBRTYZQNGD-AEFFLSMTSA-N 2 1 349.523 1.947 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418781346 446699218 /nfs/dbraw/zinc/69/92/18/446699218.db2.gz ZEJAXXMVZYHPCE-HUUCEWRRSA-N 2 1 326.485 1.005 20 0 EDADMP CC[NH+]1CCC([NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000376820646 446738930 /nfs/dbraw/zinc/73/89/30/446738930.db2.gz AWNTZUBMNSRCQQ-INIZCTEOSA-N 2 1 337.489 1.524 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000411909593 446718671 /nfs/dbraw/zinc/71/86/71/446718671.db2.gz FZYGZKFLNKJNPG-RDJZCZTQSA-N 2 1 344.459 1.384 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC2)cn1 ZINC000423748117 446678715 /nfs/dbraw/zinc/67/87/15/446678715.db2.gz AFAXVZRQXPLWJO-DOTOQJQBSA-N 2 1 335.496 1.557 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC2)cn1 ZINC000423748117 446678723 /nfs/dbraw/zinc/67/87/23/446678723.db2.gz AFAXVZRQXPLWJO-DOTOQJQBSA-N 2 1 335.496 1.557 20 0 EDADMP COCC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000423902309 446754511 /nfs/dbraw/zinc/75/45/11/446754511.db2.gz LQHHTHQDIFYIHF-RDJZCZTQSA-N 2 1 335.492 1.478 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)CN1CCn2ccnc2C1 ZINC000368283707 446759251 /nfs/dbraw/zinc/75/92/51/446759251.db2.gz KHLJCLSTWXXXPY-INIZCTEOSA-N 2 1 347.507 1.668 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000368283707 446759256 /nfs/dbraw/zinc/75/92/56/446759256.db2.gz KHLJCLSTWXXXPY-INIZCTEOSA-N 2 1 347.507 1.668 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000368283707 446759262 /nfs/dbraw/zinc/75/92/62/446759262.db2.gz KHLJCLSTWXXXPY-INIZCTEOSA-N 2 1 347.507 1.668 20 0 EDADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000368283707 446759268 /nfs/dbraw/zinc/75/92/68/446759268.db2.gz KHLJCLSTWXXXPY-INIZCTEOSA-N 2 1 347.507 1.668 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)CC2(C[NH3+])CC2)[C@@H]1c1ccccc1 ZINC000423935246 446788102 /nfs/dbraw/zinc/78/81/02/446788102.db2.gz ZMICSYJSGVKQSW-WMZOPIPTSA-N 2 1 331.460 1.694 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)CC2(C[NH3+])CC2)[C@@H]1c1ccccc1 ZINC000423935246 446788107 /nfs/dbraw/zinc/78/81/07/446788107.db2.gz ZMICSYJSGVKQSW-WMZOPIPTSA-N 2 1 331.460 1.694 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000420759493 446797280 /nfs/dbraw/zinc/79/72/80/446797280.db2.gz IQOJITVZGYCNFI-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000420759493 446797286 /nfs/dbraw/zinc/79/72/86/446797286.db2.gz IQOJITVZGYCNFI-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)cs1 ZINC000368368232 446814879 /nfs/dbraw/zinc/81/48/79/446814879.db2.gz AIGXVXZWBRKJCL-DOTOQJQBSA-N 2 1 348.516 1.874 20 0 EDADMP CC(C)[C@H](C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000424015831 446824075 /nfs/dbraw/zinc/82/40/75/446824075.db2.gz AUENXYYAAGVJGV-AEFFLSMTSA-N 2 1 346.519 1.716 20 0 EDADMP [NH3+]C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000423971747 446802251 /nfs/dbraw/zinc/80/22/51/446802251.db2.gz YXIUUPSDFUPJEW-QZTJIDSGSA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+]C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000423971747 446802256 /nfs/dbraw/zinc/80/22/56/446802256.db2.gz YXIUUPSDFUPJEW-QZTJIDSGSA-N 2 1 331.460 1.521 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000368439402 446863343 /nfs/dbraw/zinc/86/33/43/446863343.db2.gz UKHWNWIDXSKQSF-IAGOWNOFSA-N 2 1 338.496 1.367 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419023472 446870769 /nfs/dbraw/zinc/87/07/69/446870769.db2.gz JPDIYXWSKDDTGQ-BZUAXINKSA-N 2 1 340.512 1.055 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419081212 446911482 /nfs/dbraw/zinc/91/14/82/446911482.db2.gz RHFYSLOLKOTMFW-HOTGVXAUSA-N 2 1 338.496 1.001 20 0 EDADMP Cc1nc(CC[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000420940093 446912120 /nfs/dbraw/zinc/91/21/20/446912120.db2.gz REVAFONAHQGWTQ-UHFFFAOYSA-N 2 1 330.432 1.885 20 0 EDADMP Cc1nc(CC[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000420940093 446912128 /nfs/dbraw/zinc/91/21/28/446912128.db2.gz REVAFONAHQGWTQ-UHFFFAOYSA-N 2 1 330.432 1.885 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000419082687 446912266 /nfs/dbraw/zinc/91/22/66/446912266.db2.gz UUYPPIFZSWBSHX-CQSZACIVSA-N 2 1 326.485 1.001 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000419115239 446933479 /nfs/dbraw/zinc/93/34/79/446933479.db2.gz SSYCKMYYBHOXEK-RDJZCZTQSA-N 2 1 348.491 1.113 20 0 EDADMP C[N@@H+]1CC[C@@H]2OCCN(Cc3cccc(C[NH+]4CCOCC4)c3)[C@H]2C1 ZINC000420969377 446939477 /nfs/dbraw/zinc/93/94/77/446939477.db2.gz YBJKQIOLGWQRBH-PMACEKPBSA-N 2 1 345.487 1.424 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(Cc3cccc(C[NH+]4CCOCC4)c3)[C@H]2C1 ZINC000420969377 446939485 /nfs/dbraw/zinc/93/94/85/446939485.db2.gz YBJKQIOLGWQRBH-PMACEKPBSA-N 2 1 345.487 1.424 20 0 EDADMP CN(C)S(=O)(=O)CC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375662511 446958378 /nfs/dbraw/zinc/95/83/78/446958378.db2.gz DUBWHKCCUMJLSF-IAGOWNOFSA-N 2 1 339.505 1.551 20 0 EDADMP CN(C)S(=O)(=O)CC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375662511 446958383 /nfs/dbraw/zinc/95/83/83/446958383.db2.gz DUBWHKCCUMJLSF-IAGOWNOFSA-N 2 1 339.505 1.551 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419147674 446963534 /nfs/dbraw/zinc/96/35/34/446963534.db2.gz CEWYGQPFSDKSMG-HRCADAONSA-N 2 1 338.496 1.001 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000442786857 446967691 /nfs/dbraw/zinc/96/76/91/446967691.db2.gz WGCBAHWPNORVNV-KGLIPLIRSA-N 2 1 339.867 1.846 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000442786857 446967699 /nfs/dbraw/zinc/96/76/99/446967699.db2.gz WGCBAHWPNORVNV-KGLIPLIRSA-N 2 1 339.867 1.846 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442793776 446969341 /nfs/dbraw/zinc/96/93/41/446969341.db2.gz SBRDCJAKMOUIRV-ILXRZTDVSA-N 2 1 349.475 1.859 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442793776 446969349 /nfs/dbraw/zinc/96/93/49/446969349.db2.gz SBRDCJAKMOUIRV-ILXRZTDVSA-N 2 1 349.475 1.859 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425058347 447007185 /nfs/dbraw/zinc/00/71/85/447007185.db2.gz OUYMSLXZDRUGNT-DOTOQJQBSA-N 2 1 331.460 1.793 20 0 EDADMP COc1cc2[nH+]ccc(NCC[N@@H+]3CCOC[C@@H]3C)c2cc1OC ZINC000413121699 447015581 /nfs/dbraw/zinc/01/55/81/447015581.db2.gz HEBLLWRNZHKHJF-ZDUSSCGKSA-N 2 1 331.416 1.807 20 0 EDADMP COc1cc2[nH+]ccc(NCC[N@H+]3CCOC[C@@H]3C)c2cc1OC ZINC000413121699 447015587 /nfs/dbraw/zinc/01/55/87/447015587.db2.gz HEBLLWRNZHKHJF-ZDUSSCGKSA-N 2 1 331.416 1.807 20 0 EDADMP CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCC[N@@H+]1C ZINC000420995636 446973172 /nfs/dbraw/zinc/97/31/72/446973172.db2.gz DSIWYCOFDDENQC-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCC[N@H+]1C ZINC000420995636 446973177 /nfs/dbraw/zinc/97/31/77/446973177.db2.gz DSIWYCOFDDENQC-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000443059618 447001180 /nfs/dbraw/zinc/00/11/80/447001180.db2.gz NIXKZZNLWCHXRN-OAHLLOKOSA-N 2 1 337.439 1.772 20 0 EDADMP O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000375794788 447055706 /nfs/dbraw/zinc/05/57/06/447055706.db2.gz VRGUSLKLZRNPNT-IRXDYDNUSA-N 2 1 339.480 1.842 20 0 EDADMP O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000375794788 447055711 /nfs/dbraw/zinc/05/57/11/447055711.db2.gz VRGUSLKLZRNPNT-IRXDYDNUSA-N 2 1 339.480 1.842 20 0 EDADMP COC1(C(F)(F)F)CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000419359969 447124868 /nfs/dbraw/zinc/12/48/68/447124868.db2.gz WMQCSBXSCXNQHM-UHFFFAOYSA-N 2 1 337.386 1.194 20 0 EDADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375889756 447123235 /nfs/dbraw/zinc/12/32/35/447123235.db2.gz LBMCHGCVSJYYFO-IRXDYDNUSA-N 2 1 338.540 1.780 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000419406798 447157493 /nfs/dbraw/zinc/15/74/93/447157493.db2.gz JGIASQWPZSSXPX-KBPBESRZSA-N 2 1 340.493 1.101 20 0 EDADMP COc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375895432 447128660 /nfs/dbraw/zinc/12/86/60/447128660.db2.gz MLPFEJQVKFNFIK-RCCFBDPRSA-N 2 1 331.460 1.774 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419437504 447175917 /nfs/dbraw/zinc/17/59/17/447175917.db2.gz GEOHVACYBWVGRC-DLBZAZTESA-N 2 1 342.528 1.595 20 0 EDADMP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CCN2CCNC2=O)CC1 ZINC000377565150 447209734 /nfs/dbraw/zinc/20/97/34/447209734.db2.gz PBMWPXYIJXIBOD-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CCN2CCNC2=O)CC1 ZINC000377565150 447209737 /nfs/dbraw/zinc/20/97/37/447209737.db2.gz PBMWPXYIJXIBOD-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC000377565150 447209738 /nfs/dbraw/zinc/20/97/38/447209738.db2.gz PBMWPXYIJXIBOD-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000377565150 447209741 /nfs/dbraw/zinc/20/97/41/447209741.db2.gz PBMWPXYIJXIBOD-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000419480212 447211579 /nfs/dbraw/zinc/21/15/79/447211579.db2.gz WBFJZAMEMJEZLM-YESZJQIVSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)C1 ZINC000419480212 447211586 /nfs/dbraw/zinc/21/15/86/447211586.db2.gz WBFJZAMEMJEZLM-YESZJQIVSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)C1 ZINC000419480212 447211591 /nfs/dbraw/zinc/21/15/91/447211591.db2.gz WBFJZAMEMJEZLM-YESZJQIVSA-N 2 1 340.512 1.061 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC000419429227 447169505 /nfs/dbraw/zinc/16/95/05/447169505.db2.gz AFFQYABFPQYGKH-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000425648460 447252841 /nfs/dbraw/zinc/25/28/41/447252841.db2.gz ULQSNWHVIOEAPP-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000425648460 447252847 /nfs/dbraw/zinc/25/28/47/447252847.db2.gz ULQSNWHVIOEAPP-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000425648460 447252852 /nfs/dbraw/zinc/25/28/52/447252852.db2.gz ULQSNWHVIOEAPP-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP O=C(NCCc1cn2ccccc2n1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377579368 447218646 /nfs/dbraw/zinc/21/86/46/447218646.db2.gz CSMMODYJWDUBBF-HOTGVXAUSA-N 2 1 343.431 1.039 20 0 EDADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000421700045 447221090 /nfs/dbraw/zinc/22/10/90/447221090.db2.gz CWQWPFDOQOFPKC-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000421700045 447221095 /nfs/dbraw/zinc/22/10/95/447221095.db2.gz CWQWPFDOQOFPKC-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000421700045 447221099 /nfs/dbraw/zinc/22/10/99/447221099.db2.gz CWQWPFDOQOFPKC-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000421700045 447221103 /nfs/dbraw/zinc/22/11/03/447221103.db2.gz CWQWPFDOQOFPKC-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP C[NH+]1CCC(n2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)n2)CC1 ZINC000376040918 447229148 /nfs/dbraw/zinc/22/91/48/447229148.db2.gz CXMCAJJYSHOQRH-GDBMZVCRSA-N 2 1 346.479 1.898 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[C@@H](C)C[N@H+]1CCO ZINC000419528287 447244525 /nfs/dbraw/zinc/24/45/25/447244525.db2.gz WRQJPONPCZDCNA-PMPSAXMXSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)[C@@H](C)C[NH+]1CCO ZINC000419528287 447244528 /nfs/dbraw/zinc/24/45/28/447244528.db2.gz WRQJPONPCZDCNA-PMPSAXMXSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)[C@@H](C)C[NH+]1CCO ZINC000419528287 447244534 /nfs/dbraw/zinc/24/45/34/447244534.db2.gz WRQJPONPCZDCNA-PMPSAXMXSA-N 2 1 340.512 1.203 20 0 EDADMP COC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCOCC1 ZINC000446841722 447258075 /nfs/dbraw/zinc/25/80/75/447258075.db2.gz AWAAMQLRDKVBAY-QGZVFWFLSA-N 2 1 326.481 1.663 20 0 EDADMP CC1CC[NH+](CCCNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000369028375 447274888 /nfs/dbraw/zinc/27/48/88/447274888.db2.gz QATMHYODUKGBQP-SJORKVTESA-N 2 1 338.496 1.271 20 0 EDADMP CC(C)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](C)CC1 ZINC000392026552 447519638 /nfs/dbraw/zinc/51/96/38/447519638.db2.gz DYIOQVRLELHNSO-HQSKLWIPSA-N 2 1 336.524 1.295 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000392329749 447522959 /nfs/dbraw/zinc/52/29/59/447522959.db2.gz AJMRFBSEEFLVPY-GDBMZVCRSA-N 2 1 332.448 1.170 20 0 EDADMP CC[C@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000419990627 447532793 /nfs/dbraw/zinc/53/27/93/447532793.db2.gz GGRORDFQVBCPQD-MJGOQNOKSA-N 2 1 335.492 1.716 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000416209811 447538308 /nfs/dbraw/zinc/53/83/08/447538308.db2.gz MSXFKWPHMLQLPR-XYJFISCASA-N 2 1 333.476 1.593 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cnccc1C ZINC000459015626 447540765 /nfs/dbraw/zinc/54/07/65/447540765.db2.gz GNNFCVSUTWRFRE-SFHVURJKSA-N 2 1 347.507 1.948 20 0 EDADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CN1CC[NH2+]CC1 ZINC000404403925 447599993 /nfs/dbraw/zinc/59/99/93/447599993.db2.gz XULMHGMIXZGZGD-OKZBNKHCSA-N 2 1 344.503 1.402 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1CCOC ZINC000459261034 447625799 /nfs/dbraw/zinc/62/57/99/447625799.db2.gz LAOQCPIZZRQIMB-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1CCOC ZINC000459261034 447625804 /nfs/dbraw/zinc/62/58/04/447625804.db2.gz LAOQCPIZZRQIMB-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1CCOC ZINC000459261034 447625810 /nfs/dbraw/zinc/62/58/10/447625810.db2.gz LAOQCPIZZRQIMB-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416916740 447708884 /nfs/dbraw/zinc/70/88/84/447708884.db2.gz IHHYCQIEIKQXPY-QLFBSQMISA-N 2 1 326.485 1.125 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416916740 447708890 /nfs/dbraw/zinc/70/88/90/447708890.db2.gz IHHYCQIEIKQXPY-QLFBSQMISA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000416910559 447706374 /nfs/dbraw/zinc/70/63/74/447706374.db2.gz AOQRBWNYFYRMOA-QKPAOTATSA-N 2 1 340.512 1.691 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000416910559 447706379 /nfs/dbraw/zinc/70/63/79/447706379.db2.gz AOQRBWNYFYRMOA-QKPAOTATSA-N 2 1 340.512 1.691 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000457932421 447676465 /nfs/dbraw/zinc/67/64/65/447676465.db2.gz MASHMLLAJAIRSU-IXDOHACOSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000457932421 447676472 /nfs/dbraw/zinc/67/64/72/447676472.db2.gz MASHMLLAJAIRSU-IXDOHACOSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000457932421 447676482 /nfs/dbraw/zinc/67/64/82/447676482.db2.gz MASHMLLAJAIRSU-IXDOHACOSA-N 2 1 340.512 1.253 20 0 EDADMP COc1cc2[nH+]c(N3CCC[C@]4(CC[NH2+]C4)C3)nc(N)c2cc1OC ZINC000420242024 447683765 /nfs/dbraw/zinc/68/37/65/447683765.db2.gz BMSONCFXTHETAD-GOSISDBHSA-N 2 1 343.431 1.809 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000416932823 447713551 /nfs/dbraw/zinc/71/35/51/447713551.db2.gz RFIJWWCKNKREKS-LZWOXQAQSA-N 2 1 340.512 1.691 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000416932823 447713554 /nfs/dbraw/zinc/71/35/54/447713554.db2.gz RFIJWWCKNKREKS-LZWOXQAQSA-N 2 1 340.512 1.691 20 0 EDADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1C[NH2+]C1 ZINC000422702507 447720381 /nfs/dbraw/zinc/72/03/81/447720381.db2.gz FKOIBIZCZJROHX-MRXNPFEDSA-N 3 1 347.503 1.874 20 0 EDADMP C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1C[NH2+]C1 ZINC000422702507 447720385 /nfs/dbraw/zinc/72/03/85/447720385.db2.gz FKOIBIZCZJROHX-MRXNPFEDSA-N 2 1 347.503 1.874 20 0 EDADMP C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1C[NH2+]C1 ZINC000422702507 447720392 /nfs/dbraw/zinc/72/03/92/447720392.db2.gz FKOIBIZCZJROHX-MRXNPFEDSA-N 2 1 347.503 1.874 20 0 EDADMP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417272736 447740172 /nfs/dbraw/zinc/74/01/72/447740172.db2.gz VJORVAVWGOHEPR-RVKKMQEKSA-N 2 1 346.475 1.538 20 0 EDADMP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417272736 447740174 /nfs/dbraw/zinc/74/01/74/447740174.db2.gz VJORVAVWGOHEPR-RVKKMQEKSA-N 2 1 346.475 1.538 20 0 EDADMP CN(C)C1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000422789033 447750602 /nfs/dbraw/zinc/75/06/02/447750602.db2.gz SWJWYGKQYNCHCX-SLFFLAALSA-N 2 1 343.515 1.832 20 0 EDADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000458332947 447771558 /nfs/dbraw/zinc/77/15/58/447771558.db2.gz AFMGITYDQSJEQY-WNKDZCFJSA-N 2 1 340.512 1.346 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000430803413 447787400 /nfs/dbraw/zinc/78/74/00/447787400.db2.gz UAGPZFVNCRWJEL-QFBILLFUSA-N 2 1 327.472 1.891 20 0 EDADMP CN(CC[NH2+][C@H]1CCCCC[C@H]1[NH3+])S(=O)(=O)c1cccs1 ZINC000422998406 447789572 /nfs/dbraw/zinc/78/95/72/447789572.db2.gz QHYNTSQNGJFVHW-OLZOCXBDSA-N 2 1 331.507 1.618 20 0 EDADMP COc1ccc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c(OC)c1 ZINC000431024130 447790142 /nfs/dbraw/zinc/79/01/42/447790142.db2.gz KFEQSAUYIXJKFJ-UHFFFAOYSA-N 2 1 333.432 1.718 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000487112843 447827412 /nfs/dbraw/zinc/82/74/12/447827412.db2.gz LMGDIQSQPMBMHA-IXDOHACOSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](NC(=O)NC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569695067 447870165 /nfs/dbraw/zinc/87/01/65/447870165.db2.gz BUGGECAQRZIRRM-MAUKXSAKSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@H](NC(=O)NC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569695067 447870171 /nfs/dbraw/zinc/87/01/71/447870171.db2.gz BUGGECAQRZIRRM-MAUKXSAKSA-N 2 1 346.475 1.327 20 0 EDADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000523320771 447879145 /nfs/dbraw/zinc/87/91/45/447879145.db2.gz YZNOLGYUPHAUKV-QZTJIDSGSA-N 2 1 345.491 1.782 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ncc(C)cc1OC ZINC000489975138 447882665 /nfs/dbraw/zinc/88/26/65/447882665.db2.gz BMQMDDYYLPNMPO-INIZCTEOSA-N 2 1 348.491 1.887 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000575739636 447886063 /nfs/dbraw/zinc/88/60/63/447886063.db2.gz LEDOEVSUHGPCJP-IBGZPJMESA-N 2 1 334.508 1.053 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000530814269 447962522 /nfs/dbraw/zinc/96/25/22/447962522.db2.gz PPOZRYZBHIUJFV-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000553222576 447979178 /nfs/dbraw/zinc/97/91/78/447979178.db2.gz AEWHGCVRIBLABL-QZTJIDSGSA-N 2 1 337.508 1.602 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000531007149 447999988 /nfs/dbraw/zinc/99/99/88/447999988.db2.gz AJNMFAGBVMAHMJ-GDBMZVCRSA-N 2 1 328.526 1.453 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)CC2(C[NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000570393404 448001897 /nfs/dbraw/zinc/00/18/97/448001897.db2.gz QLPWZWPHJGESHI-SFHVURJKSA-N 2 1 344.503 1.610 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)CC2(C[NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000570393404 448001901 /nfs/dbraw/zinc/00/19/01/448001901.db2.gz QLPWZWPHJGESHI-SFHVURJKSA-N 2 1 344.503 1.610 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)CC2(C[NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000570393404 448001906 /nfs/dbraw/zinc/00/19/06/448001906.db2.gz QLPWZWPHJGESHI-SFHVURJKSA-N 2 1 344.503 1.610 20 0 EDADMP CN(C)C(=O)CCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000531042813 448005439 /nfs/dbraw/zinc/00/54/39/448005439.db2.gz UUHPFBBOLJHURG-UHFFFAOYSA-N 2 1 333.436 1.030 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C[NH+]1CCCCC1 ZINC000570423536 448011219 /nfs/dbraw/zinc/01/12/19/448011219.db2.gz KXJFIHUPQZLMSG-FUHWJXTLSA-N 2 1 345.491 1.860 20 0 EDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497273720 448028137 /nfs/dbraw/zinc/02/81/37/448028137.db2.gz CUZRWRILHJCTLV-JJRVBVJISA-N 2 1 327.469 1.431 20 0 EDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497273720 448028143 /nfs/dbraw/zinc/02/81/43/448028143.db2.gz CUZRWRILHJCTLV-JJRVBVJISA-N 2 1 327.469 1.431 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(C)CCO[C@H]3C)CC2)CC1 ZINC000576411323 448049168 /nfs/dbraw/zinc/04/91/68/448049168.db2.gz QKVKSPBVCFFWGU-HNAYVOBHSA-N 2 1 337.508 1.866 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000576491233 448069047 /nfs/dbraw/zinc/06/90/47/448069047.db2.gz RYTGUOVJHYGNRX-UHFFFAOYSA-N 2 1 334.420 1.012 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000570911129 448083871 /nfs/dbraw/zinc/08/38/71/448083871.db2.gz JILMJBXOWOIJDP-HOTGVXAUSA-N 2 1 337.512 1.068 20 0 EDADMP CC(C)C[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000496982020 448095082 /nfs/dbraw/zinc/09/50/82/448095082.db2.gz VXHHANKXGSWFQN-PBHICJAKSA-N 2 1 329.485 1.582 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NC(=O)NCc1ccccc1)CC[NH2+]CC2 ZINC000571276108 448124400 /nfs/dbraw/zinc/12/44/00/448124400.db2.gz QWSGBVWISCQYDS-OAHLLOKOSA-N 2 1 344.459 1.476 20 0 EDADMP CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]C2CC[NH+](C)CC2)s1 ZINC000576724981 448127021 /nfs/dbraw/zinc/12/70/21/448127021.db2.gz TYUQZONURWYMTL-GHMZBOCLSA-N 2 1 325.482 1.747 20 0 EDADMP Cn1cncc1CCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000527236061 448189688 /nfs/dbraw/zinc/18/96/88/448189688.db2.gz DQIKKUOVNWUZBQ-UHFFFAOYSA-N 2 1 328.420 1.138 20 0 EDADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000497089853 448190607 /nfs/dbraw/zinc/19/06/07/448190607.db2.gz OBVTWRXTRAPJAL-PBHICJAKSA-N 2 1 329.485 1.726 20 0 EDADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000497089853 448190609 /nfs/dbraw/zinc/19/06/09/448190609.db2.gz OBVTWRXTRAPJAL-PBHICJAKSA-N 2 1 329.485 1.726 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000532210069 448216738 /nfs/dbraw/zinc/21/67/38/448216738.db2.gz OCKFBOLZWJZHMY-GJYPPUQNSA-N 2 1 345.487 1.977 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000577264959 448249766 /nfs/dbraw/zinc/24/97/66/448249766.db2.gz IRPLMGAEJZDFMS-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577264959 448249773 /nfs/dbraw/zinc/24/97/73/448249773.db2.gz IRPLMGAEJZDFMS-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000577264957 448250071 /nfs/dbraw/zinc/25/00/71/448250071.db2.gz IRPLMGAEJZDFMS-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577264957 448250078 /nfs/dbraw/zinc/25/00/78/448250078.db2.gz IRPLMGAEJZDFMS-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000572000144 448259399 /nfs/dbraw/zinc/25/93/99/448259399.db2.gz NQBCNNYPPSAKTR-HOTGVXAUSA-N 2 1 334.468 1.165 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)Nc2ccn3ccnc3c2)CC1 ZINC000515149601 448266097 /nfs/dbraw/zinc/26/60/97/448266097.db2.gz DUBXFWIWMXBALN-UHFFFAOYSA-N 2 1 330.436 1.483 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000533194195 448371333 /nfs/dbraw/zinc/37/13/33/448371333.db2.gz PYNNGCSNHFVKDK-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP CC[N@H+]1CCCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000533194195 448371339 /nfs/dbraw/zinc/37/13/39/448371339.db2.gz PYNNGCSNHFVKDK-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCO1 ZINC000527758057 448355514 /nfs/dbraw/zinc/35/55/14/448355514.db2.gz SUUJZMZWVSYBAN-MOPGFXCFSA-N 2 1 336.451 1.962 20 0 EDADMP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000583018949 448404395 /nfs/dbraw/zinc/40/43/95/448404395.db2.gz NOXCJDIQIBPVNH-SJORKVTESA-N 2 1 337.489 1.351 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000527984716 448405040 /nfs/dbraw/zinc/40/50/40/448405040.db2.gz XAKGFYQSZUUIMA-AWEZNQCLSA-N 2 1 329.404 1.128 20 0 EDADMP CC(C)(CNC(=O)CC(F)(F)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000572777315 448462096 /nfs/dbraw/zinc/46/20/96/448462096.db2.gz WXJPUXZXZAMUOQ-UHFFFAOYSA-N 2 1 325.403 1.924 20 0 EDADMP CC(C)(CNC(=O)CC(F)(F)C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000572777315 448462103 /nfs/dbraw/zinc/46/21/03/448462103.db2.gz WXJPUXZXZAMUOQ-UHFFFAOYSA-N 2 1 325.403 1.924 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]([NH3+])C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000566411457 448463534 /nfs/dbraw/zinc/46/35/34/448463534.db2.gz FMIYFECGGBHHDI-INMHGKMJSA-N 2 1 348.466 1.674 20 0 EDADMP O=C1[C@H]([N@H+]2CC[C@@H](CN3CCOCC3)C2)CCN1C1CCCCC1 ZINC000528390071 448508865 /nfs/dbraw/zinc/50/88/65/448508865.db2.gz NPGOVZYVIOLLNH-FUHWJXTLSA-N 2 1 335.492 1.574 20 0 EDADMP O=C1N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1CC[C@H]1CC[NH2+]C1 ZINC000578349701 448525013 /nfs/dbraw/zinc/52/50/13/448525013.db2.gz NDAVPLPFORQABU-BEFAXECRSA-N 2 1 342.443 1.183 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000566628131 448525322 /nfs/dbraw/zinc/52/53/22/448525322.db2.gz JJSJJHYQVVGIAC-FQEVSTJZSA-N 2 1 348.535 1.049 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000566628131 448525327 /nfs/dbraw/zinc/52/53/27/448525327.db2.gz JJSJJHYQVVGIAC-FQEVSTJZSA-N 2 1 348.535 1.049 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000566628131 448525332 /nfs/dbraw/zinc/52/53/32/448525332.db2.gz JJSJJHYQVVGIAC-FQEVSTJZSA-N 2 1 348.535 1.049 20 0 EDADMP O=C(COC1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000573094889 448542514 /nfs/dbraw/zinc/54/25/14/448542514.db2.gz OQXKLKGVKYZJPT-INIZCTEOSA-N 2 1 337.851 1.582 20 0 EDADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000538974585 448604675 /nfs/dbraw/zinc/60/46/75/448604675.db2.gz KSLMTXXXQGZPSE-MRXNPFEDSA-N 2 1 343.475 1.834 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000567103204 448613600 /nfs/dbraw/zinc/61/36/00/448613600.db2.gz NOTCXNRXEIEPNM-MMNPAVHPSA-N 2 1 331.464 1.013 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000517874032 448624378 /nfs/dbraw/zinc/62/43/78/448624378.db2.gz XBCHRZQVUZIRBN-GOSISDBHSA-N 2 1 348.491 1.330 20 0 EDADMP C[C@H]1C[C@H](N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000538587702 448589835 /nfs/dbraw/zinc/58/98/35/448589835.db2.gz VNGDKRCXJBPDIM-UHOSZYNNSA-N 2 1 346.519 1.348 20 0 EDADMP C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CCN1C ZINC000538587702 448589841 /nfs/dbraw/zinc/58/98/41/448589841.db2.gz VNGDKRCXJBPDIM-UHOSZYNNSA-N 2 1 346.519 1.348 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000573305394 448591782 /nfs/dbraw/zinc/59/17/82/448591782.db2.gz YTOXMFKEWDCJJO-QAPCUYQASA-N 2 1 347.459 1.160 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000573305394 448591790 /nfs/dbraw/zinc/59/17/90/448591790.db2.gz YTOXMFKEWDCJJO-QAPCUYQASA-N 2 1 347.459 1.160 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H](N)c2ccccc2OC)CC[N@H+]1CCOC ZINC000578991451 448687860 /nfs/dbraw/zinc/68/78/60/448687860.db2.gz CDXWMTQAVFVFRV-CRAIPNDOSA-N 2 1 349.475 1.654 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H](N)c2ccccc2OC)CCN1CCOC ZINC000578991451 448687866 /nfs/dbraw/zinc/68/78/66/448687866.db2.gz CDXWMTQAVFVFRV-CRAIPNDOSA-N 2 1 349.475 1.654 20 0 EDADMP CC[NH+](CC)CCOC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000573814754 448722364 /nfs/dbraw/zinc/72/23/64/448722364.db2.gz LJZYJXMGVFILIS-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000567811855 448765575 /nfs/dbraw/zinc/76/55/75/448765575.db2.gz SXOLULSRSGIKNZ-CWLKWCNXSA-N 2 1 331.460 1.390 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000567811855 448765580 /nfs/dbraw/zinc/76/55/80/448765580.db2.gz SXOLULSRSGIKNZ-CWLKWCNXSA-N 2 1 331.460 1.390 20 0 EDADMP CN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000579134635 448724539 /nfs/dbraw/zinc/72/45/39/448724539.db2.gz ZDHNDTMDGNRJHS-ROUUACIJSA-N 2 1 346.475 1.281 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)[C@H](C)C1 ZINC000519407782 448767893 /nfs/dbraw/zinc/76/78/93/448767893.db2.gz ZOOFNJGWOFCQBC-QRQLOZEOSA-N 2 1 347.503 1.810 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)NC[C@H]1COCC[NH2+]1 ZINC000529302773 448813725 /nfs/dbraw/zinc/81/37/25/448813725.db2.gz ZUKQDZLYYOTNAU-ROUUACIJSA-N 2 1 346.475 1.186 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000545238397 448780074 /nfs/dbraw/zinc/78/00/74/448780074.db2.gz GEXCAOXIAITVMG-QZTJIDSGSA-N 2 1 331.460 1.211 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000545238397 448780076 /nfs/dbraw/zinc/78/00/76/448780076.db2.gz GEXCAOXIAITVMG-QZTJIDSGSA-N 2 1 331.460 1.211 20 0 EDADMP CNC(=O)c1ccc(CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000579430663 448788214 /nfs/dbraw/zinc/78/82/14/448788214.db2.gz REDAZHBUSYLRIS-HNNXBMFYSA-N 2 1 331.460 1.731 20 0 EDADMP CNC(=O)c1ccc(CN2CCC([N@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000579430663 448788219 /nfs/dbraw/zinc/78/82/19/448788219.db2.gz REDAZHBUSYLRIS-HNNXBMFYSA-N 2 1 331.460 1.731 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)[C@@H]1c1ccccc1 ZINC000529322939 448822840 /nfs/dbraw/zinc/82/28/40/448822840.db2.gz RXTKTJYOBXCUBY-CVEARBPZSA-N 2 1 332.448 1.239 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC[N@H+]1CCOC ZINC000529354865 448838397 /nfs/dbraw/zinc/83/83/97/448838397.db2.gz KMDGHKMSGIZKJY-HOTGVXAUSA-N 2 1 338.496 1.413 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3)CC[N@H+]2C2CC2)c1 ZINC000568513321 448883863 /nfs/dbraw/zinc/88/38/63/448883863.db2.gz ZKQYQMVGEVXDGR-IHETXDGRSA-N 2 1 329.444 1.827 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H]1CCC[NH2+]1 ZINC000592558638 448900696 /nfs/dbraw/zinc/90/06/96/448900696.db2.gz KWMIWUQAXHIRSM-HUUCEWRRSA-N 2 1 325.453 1.005 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)N1CC[NH+](C)CC1 ZINC000574570946 448905264 /nfs/dbraw/zinc/90/52/64/448905264.db2.gz XRJIOOSVLUERTR-JENIJYKNSA-N 2 1 336.524 1.154 20 0 EDADMP NC(=O)CC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000520569004 448910798 /nfs/dbraw/zinc/91/07/98/448910798.db2.gz OXSOZEKTKQZUCJ-QGZVFWFLSA-N 2 1 331.460 1.380 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[C@@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000520833113 448935634 /nfs/dbraw/zinc/93/56/34/448935634.db2.gz KXCVHEFIBPVHPO-IEBWSBKVSA-N 2 1 344.503 1.451 20 0 EDADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)Cn3cccn3)CC2)oc1C ZINC000568858030 448928728 /nfs/dbraw/zinc/92/87/28/448928728.db2.gz YYFYNBSMAVJIGY-KRWDZBQOSA-N 2 1 347.463 1.351 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000529713965 448934030 /nfs/dbraw/zinc/93/40/30/448934030.db2.gz BPRMKDZRSNBGRS-INIZCTEOSA-N 2 1 333.480 1.582 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000520403933 448892756 /nfs/dbraw/zinc/89/27/56/448892756.db2.gz GLQYEBFKCFJEHD-CWLKWCNXSA-N 2 1 348.491 1.294 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000574861577 448972393 /nfs/dbraw/zinc/97/23/93/448972393.db2.gz LMCJOWFSOIGTJV-NJAFHUGGSA-N 2 1 330.476 1.887 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000574733419 448941953 /nfs/dbraw/zinc/94/19/53/448941953.db2.gz WMTHYSYQAXYLAL-IKGGRYGDSA-N 2 1 342.528 1.905 20 0 EDADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000574987411 449007139 /nfs/dbraw/zinc/00/71/39/449007139.db2.gz XVUZSQQZUCHEOO-FGTMMUONSA-N 2 1 328.460 1.881 20 0 EDADMP CC(=O)N1CC[C@H](N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c2ccccc21 ZINC000574998700 449010927 /nfs/dbraw/zinc/01/09/27/449010927.db2.gz NQJNYAIPAIZNAT-WDSOQIARSA-N 2 1 329.444 1.841 20 0 EDADMP C[N@@H+](C[C@@H](O)CN[C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000575039295 449018708 /nfs/dbraw/zinc/01/87/08/449018708.db2.gz DPIMPZXLFTVBSN-VQTJNVASSA-N 2 1 346.519 1.020 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)CC12CCOCC2 ZINC000582181632 449032238 /nfs/dbraw/zinc/03/22/38/449032238.db2.gz GRYDUSZQQDVARP-CQSZACIVSA-N 2 1 342.443 1.565 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592955561 449075752 /nfs/dbraw/zinc/07/57/52/449075752.db2.gz AANMNVIMVYXULK-HOTGVXAUSA-N 2 1 347.507 1.961 20 0 EDADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)NC1CC[NH2+]CC1 ZINC000575108962 449037461 /nfs/dbraw/zinc/03/74/61/449037461.db2.gz WDJUIZDKEIADGC-QGZVFWFLSA-N 2 1 348.516 1.655 20 0 EDADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)NC1CC[NH2+]CC1 ZINC000575108962 449037465 /nfs/dbraw/zinc/03/74/65/449037465.db2.gz WDJUIZDKEIADGC-QGZVFWFLSA-N 2 1 348.516 1.655 20 0 EDADMP C[C@]1(C[NH3+])CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000582230949 449042924 /nfs/dbraw/zinc/04/29/24/449042924.db2.gz RTOCQEKLHMNNJT-UYAOXDASSA-N 2 1 344.503 1.931 20 0 EDADMP COC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000597943355 449153244 /nfs/dbraw/zinc/15/32/44/449153244.db2.gz YZDSTXUBVWOHQE-XHSDSOJGSA-N 2 1 341.496 1.354 20 0 EDADMP COC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000597943355 449153249 /nfs/dbraw/zinc/15/32/49/449153249.db2.gz YZDSTXUBVWOHQE-XHSDSOJGSA-N 2 1 341.496 1.354 20 0 EDADMP CC(C)OC(=O)[C@@H](C)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601964641 449249114 /nfs/dbraw/zinc/24/91/14/449249114.db2.gz KBDFBDGNYFRENF-LPHOPBHVSA-N 2 1 334.460 1.801 20 0 EDADMP CC(C)OC(=O)[C@@H](C)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601964641 449249116 /nfs/dbraw/zinc/24/91/16/449249116.db2.gz KBDFBDGNYFRENF-LPHOPBHVSA-N 2 1 334.460 1.801 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CC1([NH3+])CC1 ZINC000595950439 449275764 /nfs/dbraw/zinc/27/57/64/449275764.db2.gz DICKURCLEBZDNI-AWEZNQCLSA-N 2 1 325.453 1.134 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000593913706 449282118 /nfs/dbraw/zinc/28/21/18/449282118.db2.gz YMDLGMKKNUTJJY-QZTJIDSGSA-N 2 1 346.475 1.131 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000593913706 449282123 /nfs/dbraw/zinc/28/21/23/449282123.db2.gz YMDLGMKKNUTJJY-QZTJIDSGSA-N 2 1 346.475 1.131 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000593913706 449282126 /nfs/dbraw/zinc/28/21/26/449282126.db2.gz YMDLGMKKNUTJJY-QZTJIDSGSA-N 2 1 346.475 1.131 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000614066443 449441703 /nfs/dbraw/zinc/44/17/03/449441703.db2.gz FREVQAPDQZWHQY-LPHOPBHVSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC[N@H+]1C ZINC000617110704 449462324 /nfs/dbraw/zinc/46/23/24/449462324.db2.gz ZDHCWQQXHMXKRA-RDJZCZTQSA-N 2 1 337.508 1.724 20 0 EDADMP O=C(CN1CCC[N@H+](C2CCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000606448231 449470456 /nfs/dbraw/zinc/47/04/56/449470456.db2.gz QCTHKQWLXCRMDI-UHFFFAOYSA-N 2 1 348.535 1.680 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000614331352 449563976 /nfs/dbraw/zinc/56/39/76/449563976.db2.gz QJJDHLMJNRZJLT-INIZCTEOSA-N 2 1 345.491 1.390 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000607235992 449590095 /nfs/dbraw/zinc/59/00/95/449590095.db2.gz NUMBVSKLEVXCNI-IRXDYDNUSA-N 3 1 341.544 1.242 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000594653941 449609305 /nfs/dbraw/zinc/60/93/05/449609305.db2.gz QJOXIGSSXXBZRU-QGZVFWFLSA-N 2 1 345.491 1.233 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000594653941 449609309 /nfs/dbraw/zinc/60/93/09/449609309.db2.gz QJOXIGSSXXBZRU-QGZVFWFLSA-N 2 1 345.491 1.233 20 0 EDADMP CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504849 449650461 /nfs/dbraw/zinc/65/04/61/449650461.db2.gz MWLZZSYLAANKGG-HOTGVXAUSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504849 449650465 /nfs/dbraw/zinc/65/04/65/449650465.db2.gz MWLZZSYLAANKGG-HOTGVXAUSA-N 2 1 340.512 1.022 20 0 EDADMP COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1F ZINC000617503748 449646053 /nfs/dbraw/zinc/64/60/53/449646053.db2.gz XJGNJFZESUBPSL-ZDUSSCGKSA-N 2 1 325.428 1.836 20 0 EDADMP COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000617503748 449646058 /nfs/dbraw/zinc/64/60/58/449646058.db2.gz XJGNJFZESUBPSL-ZDUSSCGKSA-N 2 1 325.428 1.836 20 0 EDADMP CCC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000617504709 449649009 /nfs/dbraw/zinc/64/90/09/449649009.db2.gz GVNDKAWSXRSEMY-JKSUJKDBSA-N 2 1 340.512 1.023 20 0 EDADMP CCC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617504709 449649012 /nfs/dbraw/zinc/64/90/12/449649012.db2.gz GVNDKAWSXRSEMY-JKSUJKDBSA-N 2 1 340.512 1.023 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000594875139 449789112 /nfs/dbraw/zinc/78/91/12/449789112.db2.gz XHYDSVMAAUTUMB-HUUCEWRRSA-N 2 1 341.377 1.882 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000594926608 449811006 /nfs/dbraw/zinc/81/10/06/449811006.db2.gz UKJCHWSOCNKWCH-ATZDWAIDSA-N 2 1 345.487 1.721 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000594942606 449814830 /nfs/dbraw/zinc/81/48/30/449814830.db2.gz KEMMAIZUJVQHRL-BVPBIZIASA-N 2 1 332.444 1.540 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000594942607 449814963 /nfs/dbraw/zinc/81/49/63/449814963.db2.gz KEMMAIZUJVQHRL-OKDNKWQNSA-N 2 1 332.444 1.540 20 0 EDADMP C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000608356991 449815984 /nfs/dbraw/zinc/81/59/84/449815984.db2.gz ZHJZQMBMKVZRRS-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000608356991 449815998 /nfs/dbraw/zinc/81/59/98/449815998.db2.gz ZHJZQMBMKVZRRS-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000608356991 449816006 /nfs/dbraw/zinc/81/60/06/449816006.db2.gz ZHJZQMBMKVZRRS-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000608356991 449816013 /nfs/dbraw/zinc/81/60/13/449816013.db2.gz ZHJZQMBMKVZRRS-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000601325886 449833565 /nfs/dbraw/zinc/83/35/65/449833565.db2.gz HBYQZOFMVASZPJ-WWGRRREGSA-N 2 1 333.432 1.005 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000601325886 449833571 /nfs/dbraw/zinc/83/35/71/449833571.db2.gz HBYQZOFMVASZPJ-WWGRRREGSA-N 2 1 333.432 1.005 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c(C)c1 ZINC000601327363 449835790 /nfs/dbraw/zinc/83/57/90/449835790.db2.gz UGMGUPAVSWJJDH-ILXRZTDVSA-N 2 1 332.448 1.867 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c(C)c1 ZINC000601327363 449835797 /nfs/dbraw/zinc/83/57/97/449835797.db2.gz UGMGUPAVSWJJDH-ILXRZTDVSA-N 2 1 332.448 1.867 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C3CCCC2CCC3)C1 ZINC000608499459 449860527 /nfs/dbraw/zinc/86/05/27/449860527.db2.gz KXTLTCZQKCVUOO-DAWZGUTISA-N 2 1 337.508 1.866 20 0 EDADMP CCN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CC[N@H+](CC)C1 ZINC000617929261 449926633 /nfs/dbraw/zinc/92/66/33/449926633.db2.gz DXWLPJKKFMDMDX-KRWDZBQOSA-N 2 1 345.491 1.390 20 0 EDADMP CCN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000617929261 449926636 /nfs/dbraw/zinc/92/66/36/449926636.db2.gz DXWLPJKKFMDMDX-KRWDZBQOSA-N 2 1 345.491 1.390 20 0 EDADMP C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000612897976 449932465 /nfs/dbraw/zinc/93/24/65/449932465.db2.gz AFXJQRQBUUNIBW-VDZJLULYSA-N 2 1 330.476 1.948 20 0 EDADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000612964245 449960527 /nfs/dbraw/zinc/96/05/27/449960527.db2.gz OWUROKVPZAADSY-IAGOWNOFSA-N 2 1 328.460 1.702 20 0 EDADMP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2 ZINC000615617236 450168910 /nfs/dbraw/zinc/16/89/10/450168910.db2.gz VQGGANTXBDCAGO-LJQANCHMSA-N 2 1 349.519 1.966 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000625806500 450513253 /nfs/dbraw/zinc/51/32/53/450513253.db2.gz GDAMCTGQPQTYIT-ZWKOTPCHSA-N 2 1 333.476 1.416 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000625806500 450513256 /nfs/dbraw/zinc/51/32/56/450513256.db2.gz GDAMCTGQPQTYIT-ZWKOTPCHSA-N 2 1 333.476 1.416 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000625806500 450513258 /nfs/dbraw/zinc/51/32/58/450513258.db2.gz GDAMCTGQPQTYIT-ZWKOTPCHSA-N 2 1 333.476 1.416 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)[C@@H]1C ZINC000620747137 450538258 /nfs/dbraw/zinc/53/82/58/450538258.db2.gz NAOUEJHDFJZCQA-HOTGVXAUSA-N 2 1 340.512 1.115 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625943049 450539475 /nfs/dbraw/zinc/53/94/75/450539475.db2.gz BCCPTKVBDGJWFQ-UHFFFAOYSA-N 2 1 336.461 1.339 20 0 EDADMP C[C@H]1C[C@@H](NCCC[NH+]2CCC[C@H]2C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000623619245 450552679 /nfs/dbraw/zinc/55/26/79/450552679.db2.gz YOQFCZTUHQADNK-UHOSZYNNSA-N 2 1 344.503 1.579 20 0 EDADMP C[C@H]1C[C@@H](NCCC[NH+]2CCC[C@H]2C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000623619245 450552682 /nfs/dbraw/zinc/55/26/82/450552682.db2.gz YOQFCZTUHQADNK-UHOSZYNNSA-N 2 1 344.503 1.579 20 0 EDADMP C[C@H]1C[C@@H](NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[NH+]1Cc1ccccc1 ZINC000623619245 450552683 /nfs/dbraw/zinc/55/26/83/450552683.db2.gz YOQFCZTUHQADNK-UHOSZYNNSA-N 2 1 344.503 1.579 20 0 EDADMP C[C@H]1C[C@@H](NCCC[N@H+]2CCC[C@H]2C(N)=O)C[NH+]1Cc1ccccc1 ZINC000623619245 450552685 /nfs/dbraw/zinc/55/26/85/450552685.db2.gz YOQFCZTUHQADNK-UHOSZYNNSA-N 2 1 344.503 1.579 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H]3CCCC[C@@]32C)C1 ZINC000626105907 450576059 /nfs/dbraw/zinc/57/60/59/450576059.db2.gz URGANQQTICLBLE-SCTDSRPQSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[NH2+][C@@H](C(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000621151580 450597939 /nfs/dbraw/zinc/59/79/39/450597939.db2.gz DMYJCNMRZBTITA-TWMKSMIVSA-N 2 1 325.497 1.577 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[NH2+][C@@H](C(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000621151580 450597942 /nfs/dbraw/zinc/59/79/42/450597942.db2.gz DMYJCNMRZBTITA-TWMKSMIVSA-N 2 1 325.497 1.577 20 0 EDADMP C[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635068839 450620924 /nfs/dbraw/zinc/62/09/24/450620924.db2.gz MBNYXVOYIHMRKH-ICSRJNTNSA-N 2 1 345.487 1.593 20 0 EDADMP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000624036086 450678257 /nfs/dbraw/zinc/67/82/57/450678257.db2.gz GMROOXOOIMVBEQ-KRWDZBQOSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)C[NH2+]1 ZINC000627357418 450672919 /nfs/dbraw/zinc/67/29/19/450672919.db2.gz GEDDTLUDOWNDRL-CABCVRRESA-N 2 1 338.496 1.014 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)c2C1 ZINC000633037134 450632952 /nfs/dbraw/zinc/63/29/52/450632952.db2.gz KWFDDBFGLQQVTG-TZMCWYRMSA-N 2 1 330.432 1.299 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)c2C1 ZINC000633037134 450632959 /nfs/dbraw/zinc/63/29/59/450632959.db2.gz KWFDDBFGLQQVTG-TZMCWYRMSA-N 2 1 330.432 1.299 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)[C@@H]2CCC[C@H]21 ZINC000624263107 450770186 /nfs/dbraw/zinc/77/01/86/450770186.db2.gz BERLZNJOISCHDG-FUMNGEBKSA-N 2 1 344.503 1.745 20 0 EDADMP C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000631787148 450777282 /nfs/dbraw/zinc/77/72/82/450777282.db2.gz BDFNLJGQQQKGJV-AWEZNQCLSA-N 2 1 331.526 1.511 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000631787148 450777288 /nfs/dbraw/zinc/77/72/88/450777288.db2.gz BDFNLJGQQQKGJV-AWEZNQCLSA-N 2 1 331.526 1.511 20 0 EDADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000624399028 450833438 /nfs/dbraw/zinc/83/34/38/450833438.db2.gz FCNAAJMVEBIULM-ZBFHGGJFSA-N 2 1 332.448 1.952 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000631828293 450801259 /nfs/dbraw/zinc/80/12/59/450801259.db2.gz LCVNEZXYMOHIPQ-BPLDGKMQSA-N 2 1 342.434 1.642 20 0 EDADMP Cn1c2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)ccc2oc1=O ZINC000631829110 450801588 /nfs/dbraw/zinc/80/15/88/450801588.db2.gz HATXXZPGBYQTBM-RKVPGOIHSA-N 2 1 345.443 1.992 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H]4CC[C@@H](O)[C@@H]43)CC2)CC1 ZINC000629769048 450803747 /nfs/dbraw/zinc/80/37/47/450803747.db2.gz UDVUZTXYKTWZMG-KFKAGJAMSA-N 2 1 349.519 1.555 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)CC2)cs1 ZINC000627649802 450867258 /nfs/dbraw/zinc/86/72/58/450867258.db2.gz LMUQOQPNWAFDLO-FVQHAEBGSA-N 2 1 348.516 1.682 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC000629977320 450929802 /nfs/dbraw/zinc/92/98/02/450929802.db2.gz IJPGBFJSPXWCTH-UHFFFAOYSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000629977320 450929809 /nfs/dbraw/zinc/92/98/09/450929809.db2.gz IJPGBFJSPXWCTH-UHFFFAOYSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC000629977320 450929814 /nfs/dbraw/zinc/92/98/14/450929814.db2.gz IJPGBFJSPXWCTH-UHFFFAOYSA-N 2 1 336.524 1.488 20 0 EDADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000635442565 450944409 /nfs/dbraw/zinc/94/44/09/450944409.db2.gz BTJYHSQEPQJYTO-AWEZNQCLSA-N 2 1 332.448 1.857 20 0 EDADMP Cc1[nH+]ccn1CCCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632027350 450979926 /nfs/dbraw/zinc/97/99/26/450979926.db2.gz APRMCNPLLSZKKY-UHFFFAOYSA-N 2 1 328.482 1.377 20 0 EDADMP C[C@H]1CC[C@@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000626935064 451017680 /nfs/dbraw/zinc/01/76/80/451017680.db2.gz WMWJCQOQVDNENZ-MAUKXSAKSA-N 2 1 330.476 1.875 20 0 EDADMP CCN(CC[NH3+])C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626985060 451052219 /nfs/dbraw/zinc/05/22/19/451052219.db2.gz BICMLXFFVAAYOR-NVXWUHKLSA-N 2 1 334.464 1.266 20 0 EDADMP CCN(CC[NH3+])C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626985060 451052221 /nfs/dbraw/zinc/05/22/21/451052221.db2.gz BICMLXFFVAAYOR-NVXWUHKLSA-N 2 1 334.464 1.266 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000627005916 451070187 /nfs/dbraw/zinc/07/01/87/451070187.db2.gz NXGBGKPZIFUOPR-IAGOWNOFSA-N 2 1 334.464 1.309 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCOCC2)[C@H]1c1ccccc1 ZINC000627006079 451070831 /nfs/dbraw/zinc/07/08/31/451070831.db2.gz PLRWOOHHDMTNCV-JKSUJKDBSA-N 2 1 332.448 1.239 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC000627011743 451076235 /nfs/dbraw/zinc/07/62/35/451076235.db2.gz IXDZQBNEWWWNNG-UBHSHLNASA-N 2 1 348.413 1.806 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCCOCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000627038723 451095389 /nfs/dbraw/zinc/09/53/89/451095389.db2.gz LZHNOGUJBAIELE-NVXWUHKLSA-N 2 1 334.464 1.314 20 0 EDADMP C[NH2+]CCOCCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627174296 451165311 /nfs/dbraw/zinc/16/53/11/451165311.db2.gz GUEHLTGZCITUBV-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@H]1CC[C@@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[NH2+]1 ZINC000627203139 451185017 /nfs/dbraw/zinc/18/50/17/451185017.db2.gz VHIXSKBWSQZZKO-IIQAOJFUSA-N 2 1 349.523 1.079 20 0 EDADMP CN(C(=O)NCCOCCC[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627214737 451191215 /nfs/dbraw/zinc/19/12/15/451191215.db2.gz YGCBZADTDZAYDF-SFHVURJKSA-N 2 1 348.491 1.658 20 0 EDADMP C[C@@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000638088125 451254546 /nfs/dbraw/zinc/25/45/46/451254546.db2.gz ZLAJZPTZEIMDST-HNAYVOBHSA-N 2 1 331.460 1.305 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000638099546 451264834 /nfs/dbraw/zinc/26/48/34/451264834.db2.gz HIBADPFIPBYTBK-LJHODMEESA-N 2 1 347.459 1.785 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638101624 451266400 /nfs/dbraw/zinc/26/64/00/451266400.db2.gz VUYXYEQNDGSDGP-FQEVSTJZSA-N 2 1 345.487 1.736 20 0 EDADMP COc1cccc([C@H](C)[NH+]2CCN(C(=O)CCC3C[NH2+]C3)CC2)c1 ZINC000638103475 451269940 /nfs/dbraw/zinc/26/99/40/451269940.db2.gz OSHAPQXDKYMNAU-HNNXBMFYSA-N 2 1 331.460 1.900 20 0 EDADMP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638124327 451293202 /nfs/dbraw/zinc/29/32/02/451293202.db2.gz SNRKICSWZJCVIX-WBAXXEDZSA-N 2 1 329.444 1.440 20 0 EDADMP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638124327 451293207 /nfs/dbraw/zinc/29/32/07/451293207.db2.gz SNRKICSWZJCVIX-WBAXXEDZSA-N 2 1 329.444 1.440 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638141997 451316976 /nfs/dbraw/zinc/31/69/76/451316976.db2.gz ADOVBXIXFQVCQS-AYBZRNKSSA-N 2 1 331.460 1.236 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000638195160 451350623 /nfs/dbraw/zinc/35/06/23/451350623.db2.gz RFBMDAOIHIEHFQ-IBGZPJMESA-N 2 1 338.455 1.365 20 0 EDADMP [NH3+]CC[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000638265495 451387120 /nfs/dbraw/zinc/38/71/20/451387120.db2.gz COSVQEVXXYXNEK-KGLIPLIRSA-N 2 1 329.366 1.904 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC000634456671 451347079 /nfs/dbraw/zinc/34/70/79/451347079.db2.gz IQUCJRCFBBOSNQ-QZTJIDSGSA-N 2 1 331.460 1.406 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC000634456671 451347086 /nfs/dbraw/zinc/34/70/86/451347086.db2.gz IQUCJRCFBBOSNQ-QZTJIDSGSA-N 2 1 331.460 1.406 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000634456671 451347094 /nfs/dbraw/zinc/34/70/94/451347094.db2.gz IQUCJRCFBBOSNQ-QZTJIDSGSA-N 2 1 331.460 1.406 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC000634456671 451347102 /nfs/dbraw/zinc/34/71/02/451347102.db2.gz IQUCJRCFBBOSNQ-QZTJIDSGSA-N 2 1 331.460 1.406 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCN3CCC4)C2)cc1 ZINC000634457073 451347719 /nfs/dbraw/zinc/34/77/19/451347719.db2.gz QPHMHSVZJQVQMH-OALUTQOASA-N 2 1 342.487 1.075 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C2)cc1 ZINC000634457073 451347724 /nfs/dbraw/zinc/34/77/24/451347724.db2.gz QPHMHSVZJQVQMH-OALUTQOASA-N 2 1 342.487 1.075 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)C2)cc1 ZINC000634457073 451347732 /nfs/dbraw/zinc/34/77/32/451347732.db2.gz QPHMHSVZJQVQMH-OALUTQOASA-N 2 1 342.487 1.075 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000630768999 451394521 /nfs/dbraw/zinc/39/45/21/451394521.db2.gz GHFPOIILPKUBDC-RBUKOAKNSA-N 2 1 345.487 1.865 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000630768999 451394526 /nfs/dbraw/zinc/39/45/26/451394526.db2.gz GHFPOIILPKUBDC-RBUKOAKNSA-N 2 1 345.487 1.865 20 0 EDADMP C[N@H+](CCc1ccccc1)CC(=O)N1CCOC[C@H]1[C@H]1CCC[NH+]1C ZINC000635959670 451397662 /nfs/dbraw/zinc/39/76/62/451397662.db2.gz JAIUVNWQVXMHDT-MOPGFXCFSA-N 2 1 345.487 1.483 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CCOC[C@H]1[C@H]1CCC[NH+]1C ZINC000635959670 451397668 /nfs/dbraw/zinc/39/76/68/451397668.db2.gz JAIUVNWQVXMHDT-MOPGFXCFSA-N 2 1 345.487 1.483 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000635959670 451397675 /nfs/dbraw/zinc/39/76/75/451397675.db2.gz JAIUVNWQVXMHDT-MOPGFXCFSA-N 2 1 345.487 1.483 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000635959670 451397683 /nfs/dbraw/zinc/39/76/83/451397683.db2.gz JAIUVNWQVXMHDT-MOPGFXCFSA-N 2 1 345.487 1.483 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000638313320 451425176 /nfs/dbraw/zinc/42/51/76/451425176.db2.gz TZYMFCFGIQQLHR-DZOHQFGASA-N 2 1 331.460 1.472 20 0 EDADMP COC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000634713593 451493970 /nfs/dbraw/zinc/49/39/70/451493970.db2.gz YSIICEQPUAXNNM-FHWLQOOXSA-N 2 1 334.460 1.407 20 0 EDADMP COC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000634713593 451493973 /nfs/dbraw/zinc/49/39/73/451493973.db2.gz YSIICEQPUAXNNM-FHWLQOOXSA-N 2 1 334.460 1.407 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)c1 ZINC000638364552 451462086 /nfs/dbraw/zinc/46/20/86/451462086.db2.gz KRYLJBBJKXMVGL-GOSISDBHSA-N 2 1 326.444 1.852 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000638366030 451463288 /nfs/dbraw/zinc/46/32/88/451463288.db2.gz JYSHXZXWLFYINZ-CYBMUJFWSA-N 2 1 345.534 1.997 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1)N1CC[NH2+]CC1 ZINC000634687690 451464856 /nfs/dbraw/zinc/46/48/56/451464856.db2.gz VSRIXBNEBNKZRX-KRWDZBQOSA-N 2 1 338.455 1.879 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638379345 451473650 /nfs/dbraw/zinc/47/36/50/451473650.db2.gz ZYYZYYMZLRDKAB-QGZVFWFLSA-N 2 1 336.524 1.395 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000638400727 451489599 /nfs/dbraw/zinc/48/95/99/451489599.db2.gz SHSAQGUBQCENFI-IPMKNSEASA-N 2 1 344.503 1.579 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000638400727 451489603 /nfs/dbraw/zinc/48/96/03/451489603.db2.gz SHSAQGUBQCENFI-IPMKNSEASA-N 2 1 344.503 1.579 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000638400727 451489609 /nfs/dbraw/zinc/48/96/09/451489609.db2.gz SHSAQGUBQCENFI-IPMKNSEASA-N 2 1 344.503 1.579 20 0 EDADMP O[C@]1(C[NH2+][C@H]2CCn3ccnc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634711951 451491030 /nfs/dbraw/zinc/49/10/30/451491030.db2.gz XCNXAHQPTCHOBI-HKUYNNGSSA-N 2 1 326.444 1.425 20 0 EDADMP O[C@]1(C[NH2+][C@H]2CCn3ccnc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711951 451491032 /nfs/dbraw/zinc/49/10/32/451491032.db2.gz XCNXAHQPTCHOBI-HKUYNNGSSA-N 2 1 326.444 1.425 20 0 EDADMP CCNC(=O)C1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000634713218 451492999 /nfs/dbraw/zinc/49/29/99/451492999.db2.gz RXZIVNQEOFMUSK-FQEVSTJZSA-N 2 1 345.487 1.519 20 0 EDADMP CCNC(=O)C1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000634713218 451493007 /nfs/dbraw/zinc/49/30/07/451493007.db2.gz RXZIVNQEOFMUSK-FQEVSTJZSA-N 2 1 345.487 1.519 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)CC(C)(C)C ZINC000638341172 451445180 /nfs/dbraw/zinc/44/51/80/451445180.db2.gz NSZWCSONQKQRFK-WBVHZDCISA-N 2 1 325.497 1.709 20 0 EDADMP OCC[N@H+]1CCCC[C@@H]1CNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634721010 451501999 /nfs/dbraw/zinc/50/19/99/451501999.db2.gz SJZPVOJYPKUVHB-WOJBJXKFSA-N 2 1 347.503 1.060 20 0 EDADMP OCC[NH+]1CCCC[C@@H]1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721010 451502005 /nfs/dbraw/zinc/50/20/05/451502005.db2.gz SJZPVOJYPKUVHB-WOJBJXKFSA-N 2 1 347.503 1.060 20 0 EDADMP OCC[NH+]1CCCC[C@@H]1CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721010 451502010 /nfs/dbraw/zinc/50/20/10/451502010.db2.gz SJZPVOJYPKUVHB-WOJBJXKFSA-N 2 1 347.503 1.060 20 0 EDADMP COc1cccc([C@H]([NH3+])C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000638437784 451516621 /nfs/dbraw/zinc/51/66/21/451516621.db2.gz VAKKMKKTFJGPAV-YJBOKZPZSA-N 2 1 331.460 1.933 20 0 EDADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000638481823 451535170 /nfs/dbraw/zinc/53/51/70/451535170.db2.gz RMCWUVVIQXZOAM-QZTJIDSGSA-N 2 1 331.460 1.344 20 0 EDADMP CO[C@H](C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000638570946 451582836 /nfs/dbraw/zinc/58/28/36/451582836.db2.gz DITJISSGAHKQAZ-IAGOWNOFSA-N 2 1 325.497 1.759 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000632853434 451615488 /nfs/dbraw/zinc/61/54/88/451615488.db2.gz LMGDIQSQPMBMHA-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCNC(=O)CC3)cc2)CC1 ZINC000634953216 451621921 /nfs/dbraw/zinc/62/19/21/451621921.db2.gz VHLHVFJLMZZDBS-IBGZPJMESA-N 2 1 344.503 1.582 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000640949221 451700342 /nfs/dbraw/zinc/70/03/42/451700342.db2.gz PVWKHJKHXPGJDO-KBAYOESNSA-N 2 1 330.476 1.900 20 0 EDADMP Cc1cccn2cc(Cn3cc(CC[NH+]4CCC([NH3+])CC4)nn3)nc12 ZINC000640952226 451702317 /nfs/dbraw/zinc/70/23/17/451702317.db2.gz FSHYWJPHPFUZIK-UHFFFAOYSA-N 2 1 339.447 1.248 20 0 EDADMP COc1c(C)c[nH+]c(Cn2cc([C@H]([NH3+])C3CCOCC3)nn2)c1C ZINC000640954096 451703372 /nfs/dbraw/zinc/70/33/72/451703372.db2.gz DXFIEQMIEFOFJB-MRXNPFEDSA-N 2 1 331.420 1.773 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638834525 451705152 /nfs/dbraw/zinc/70/51/52/451705152.db2.gz HDAWNXHYHVOCIF-HGKSCXNLSA-N 2 1 327.472 1.870 20 0 EDADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638985350 451746512 /nfs/dbraw/zinc/74/65/12/451746512.db2.gz FASNCZLTBJDAAG-KRWDZBQOSA-N 2 1 337.427 1.664 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC000639001673 451750535 /nfs/dbraw/zinc/75/05/35/451750535.db2.gz MANVCHOKMAZRLI-JENIJYKNSA-N 2 1 331.460 1.453 20 0 EDADMP CC[C@@](C)([NH3+])c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641230430 451791151 /nfs/dbraw/zinc/79/11/51/451791151.db2.gz REWMMZKRKULZAV-MSOLQXFVSA-N 2 1 329.448 1.499 20 0 EDADMP O[C@]1(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641230790 451791847 /nfs/dbraw/zinc/79/18/47/451791847.db2.gz UITJSOMPKWTZHB-IEBWSBKVSA-N 2 1 341.459 1.067 20 0 EDADMP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000644523975 451839388 /nfs/dbraw/zinc/83/93/88/451839388.db2.gz DYJAXUKHEGODRQ-RCCFBDPRSA-N 2 1 332.444 1.845 20 0 EDADMP O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000637373778 451805757 /nfs/dbraw/zinc/80/57/57/451805757.db2.gz RSJBOWRROXGCMO-KRWDZBQOSA-N 2 1 331.464 1.622 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000649102070 451846600 /nfs/dbraw/zinc/84/66/00/451846600.db2.gz SYBSSMQNFAFFJT-UHOSZYNNSA-N 2 1 344.503 1.084 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000649102070 451846603 /nfs/dbraw/zinc/84/66/03/451846603.db2.gz SYBSSMQNFAFFJT-UHOSZYNNSA-N 2 1 344.503 1.084 20 0 EDADMP O=C(NC[C@H]1CC[NH+]1C1CCCC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000637469277 451884830 /nfs/dbraw/zinc/88/48/30/451884830.db2.gz AASLZPMNXGUDQY-NVXWUHKLSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000637469277 451884837 /nfs/dbraw/zinc/88/48/37/451884837.db2.gz AASLZPMNXGUDQY-NVXWUHKLSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000637469277 451884845 /nfs/dbraw/zinc/88/48/45/451884845.db2.gz AASLZPMNXGUDQY-NVXWUHKLSA-N 2 1 338.496 1.149 20 0 EDADMP O[C@@]1(CN2CC[C@](O)(C(F)(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639515811 451918642 /nfs/dbraw/zinc/91/86/42/451918642.db2.gz YHHUWSSAYNJTNX-JKSUJKDBSA-N 2 1 344.377 1.623 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)c1 ZINC000649306375 451984082 /nfs/dbraw/zinc/98/40/82/451984082.db2.gz NYGBJTUGHLIFPR-INIZCTEOSA-N 2 1 342.447 1.194 20 0 EDADMP CC1(OCC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C[NH2+]C1 ZINC000649309036 451986556 /nfs/dbraw/zinc/98/65/56/451986556.db2.gz QBKFINUHSWTZJG-AWEZNQCLSA-N 2 1 337.489 1.455 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649319670 451997434 /nfs/dbraw/zinc/99/74/34/451997434.db2.gz PZOJPPZZUMRNDY-IBGZPJMESA-N 2 1 345.487 1.593 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000637651638 451998331 /nfs/dbraw/zinc/99/83/31/451998331.db2.gz MBHOOZDUXCHSIZ-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649340214 452021114 /nfs/dbraw/zinc/02/11/14/452021114.db2.gz JRXSMQFPRPVUMR-RDJZCZTQSA-N 2 1 333.476 1.910 20 0 EDADMP C[C@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649340214 452021120 /nfs/dbraw/zinc/02/11/20/452021120.db2.gz JRXSMQFPRPVUMR-RDJZCZTQSA-N 2 1 333.476 1.910 20 0 EDADMP COC[C@@]1(CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CCC[NH2+]1 ZINC000647042086 452022181 /nfs/dbraw/zinc/02/21/81/452022181.db2.gz MWSFIHDCGQMEQW-IBGZPJMESA-N 2 1 346.475 1.491 20 0 EDADMP C[C@H]([NH3+])CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000641492803 452024346 /nfs/dbraw/zinc/02/43/46/452024346.db2.gz GISCJXHAKJUOFE-UAGQMJEPSA-N 2 1 339.528 1.312 20 0 EDADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000649352822 452036707 /nfs/dbraw/zinc/03/67/07/452036707.db2.gz OJYDPPFAMWMFPP-QZTJIDSGSA-N 2 1 330.476 1.233 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000649352955 452037141 /nfs/dbraw/zinc/03/71/41/452037141.db2.gz XBPVWSOEVXIWSD-LMMKCTJWSA-N 2 1 344.503 1.688 20 0 EDADMP CC1([NH3+])CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000649416058 452077509 /nfs/dbraw/zinc/07/75/09/452077509.db2.gz KORMMDPJEQDJLL-UHFFFAOYSA-N 2 1 330.476 1.144 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000639768900 452111276 /nfs/dbraw/zinc/11/12/76/452111276.db2.gz VHWFKHUJNPXYGS-FQEVSTJZSA-N 2 1 345.487 1.744 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000639768900 452111280 /nfs/dbraw/zinc/11/12/80/452111280.db2.gz VHWFKHUJNPXYGS-FQEVSTJZSA-N 2 1 345.487 1.744 20 0 EDADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4nnnn4CC3)CC2)cc1 ZINC000643297235 452121894 /nfs/dbraw/zinc/12/18/94/452121894.db2.gz SMNXLVYTAKAVAW-MRXNPFEDSA-N 2 1 326.448 1.632 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](n3ccnn3)CC2)CC1 ZINC000639816154 452150079 /nfs/dbraw/zinc/15/00/79/452150079.db2.gz CODJYGZPKRYRLT-GOSISDBHSA-N 2 1 334.512 1.721 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](n3ccnn3)CC2)CC1 ZINC000639816049 452150474 /nfs/dbraw/zinc/15/04/74/452150474.db2.gz GRIWJDJYKBEDIA-KRWDZBQOSA-N 2 1 348.495 1.294 20 0 EDADMP C[NH+](C)C1CCC(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000643387333 452170747 /nfs/dbraw/zinc/17/07/47/452170747.db2.gz PELJWDPLIWCZLJ-OFLPRAFFSA-N 2 1 338.496 1.365 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645232686 452224882 /nfs/dbraw/zinc/22/48/82/452224882.db2.gz MJQJKDDINRQPQP-HNNXBMFYSA-N 2 1 349.479 1.334 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480539 452226389 /nfs/dbraw/zinc/22/63/89/452226389.db2.gz QORKIAMUEXBLPC-SJLPKXTDSA-N 2 1 347.507 1.529 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480539 452226395 /nfs/dbraw/zinc/22/63/95/452226395.db2.gz QORKIAMUEXBLPC-SJLPKXTDSA-N 2 1 347.507 1.529 20 0 EDADMP COc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c(OC(F)F)c1 ZINC000647492977 452237389 /nfs/dbraw/zinc/23/73/89/452237389.db2.gz MIYXZVPZDWHIHP-UHFFFAOYSA-N 2 1 329.391 1.634 20 0 EDADMP CCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nc1 ZINC000647509501 452245606 /nfs/dbraw/zinc/24/56/06/452245606.db2.gz HCTNZSWSRCSWQX-CRAIPNDOSA-N 2 1 346.475 1.561 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnc(N)nc2N)CC1 ZINC000638021025 452264993 /nfs/dbraw/zinc/26/49/93/452264993.db2.gz KVQLMQUTAVWRFI-UHFFFAOYSA-N 2 1 340.475 1.646 20 0 EDADMP Cc1ccc(-c2nn(C)cc2C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)o1 ZINC000647541853 452273351 /nfs/dbraw/zinc/27/33/51/452273351.db2.gz WCFXRBIUQMLZCD-INIZCTEOSA-N 2 1 329.448 1.468 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccc2c(c1)OCCO2 ZINC000641803100 452276743 /nfs/dbraw/zinc/27/67/43/452276743.db2.gz DQLRPBNHCWUIDU-CZAMWMTLSA-N 2 1 347.459 1.739 20 0 EDADMP C[C@@H]1C[NH2+]C[C@@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000647549118 452277285 /nfs/dbraw/zinc/27/72/85/452277285.db2.gz IVYMMZUIFPHGOY-SNRMKQJTSA-N 2 1 344.503 1.472 20 0 EDADMP C[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487911 452286477 /nfs/dbraw/zinc/28/64/77/452286477.db2.gz PRXQGMJIPDOIFJ-LJIGWXMPSA-N 2 1 349.479 1.035 20 0 EDADMP C[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487911 452286493 /nfs/dbraw/zinc/28/64/93/452286493.db2.gz PRXQGMJIPDOIFJ-LJIGWXMPSA-N 2 1 349.479 1.035 20 0 EDADMP Cc1cc(C)cc(OCCN(C)C(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641809283 452287768 /nfs/dbraw/zinc/28/77/68/452287768.db2.gz VROBZKWLAHPBTF-DLBZAZTESA-N 2 1 333.476 1.856 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCC2 ZINC000643548086 452306950 /nfs/dbraw/zinc/30/69/50/452306950.db2.gz MDSDNMXQJACISK-YOEHRIQHSA-N 2 1 349.500 1.976 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC3CC2(C[NH3+])C3)[C@@H](C)C1 ZINC000659456946 452308167 /nfs/dbraw/zinc/30/81/67/452308167.db2.gz USXDUDIJCUQKII-UERKLNTKSA-N 2 1 338.496 1.256 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659457758 452310130 /nfs/dbraw/zinc/31/01/30/452310130.db2.gz KLBOSIQLIJSOKI-GUDVDZBRSA-N 2 1 342.487 1.916 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659468437 452323098 /nfs/dbraw/zinc/32/30/98/452323098.db2.gz ATWYEZCQMLQOAI-JEDBISTDSA-N 2 1 342.487 1.914 20 0 EDADMP C[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)[N@@H+]1CCc2sccc2C1 ZINC000652131826 452327686 /nfs/dbraw/zinc/32/76/86/452327686.db2.gz OQCDFKLJJAWXIQ-ZDUSSCGKSA-N 2 1 336.505 1.923 20 0 EDADMP C[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)[N@H+]1CCc2sccc2C1 ZINC000652131826 452327693 /nfs/dbraw/zinc/32/76/93/452327693.db2.gz OQCDFKLJJAWXIQ-ZDUSSCGKSA-N 2 1 336.505 1.923 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C[C@H]1C ZINC000665760741 452332203 /nfs/dbraw/zinc/33/22/03/452332203.db2.gz OKDVLGRTJYCHMJ-BBWFWOEESA-N 2 1 341.544 1.383 20 0 EDADMP C[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000652141138 452334513 /nfs/dbraw/zinc/33/45/13/452334513.db2.gz GXSVEELHHOKUQO-HNNXBMFYSA-N 2 1 330.476 1.861 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC(C)(C)OC[C@@H]1C ZINC000665761359 452335917 /nfs/dbraw/zinc/33/59/17/452335917.db2.gz AQJKIWQGXCZGQM-GJZGRUSLSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC(C)(C)OC[C@@H]1C ZINC000665761359 452335923 /nfs/dbraw/zinc/33/59/23/452335923.db2.gz AQJKIWQGXCZGQM-GJZGRUSLSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](O)C12CCCC2 ZINC000665762647 452339331 /nfs/dbraw/zinc/33/93/31/452339331.db2.gz LLNIBDAARFNFSN-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](O)C12CCCC2 ZINC000665762647 452339340 /nfs/dbraw/zinc/33/93/40/452339340.db2.gz LLNIBDAARFNFSN-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000641893789 452340313 /nfs/dbraw/zinc/34/03/13/452340313.db2.gz IFIXOTVZKLDFPP-YESZJQIVSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCCCC[C@@H]1CCO ZINC000665762841 452341083 /nfs/dbraw/zinc/34/10/83/452341083.db2.gz RNWSHXSPQSFWHW-DLBZAZTESA-N 2 1 342.528 1.595 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCCCC[C@@H]1CCO ZINC000665762841 452341089 /nfs/dbraw/zinc/34/10/89/452341089.db2.gz RNWSHXSPQSFWHW-DLBZAZTESA-N 2 1 342.528 1.595 20 0 EDADMP C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659482052 452341210 /nfs/dbraw/zinc/34/12/10/452341210.db2.gz UGDRXVVHINIUDE-BZZMCLGOSA-N 2 1 348.466 1.978 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC([C@H](C)CO)CC1 ZINC000665764048 452347375 /nfs/dbraw/zinc/34/73/75/452347375.db2.gz SGKFMNBOFYYWHF-CVEARBPZSA-N 2 1 342.528 1.308 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC([C@H](C)CO)CC1 ZINC000665764048 452347383 /nfs/dbraw/zinc/34/73/83/452347383.db2.gz SGKFMNBOFYYWHF-CVEARBPZSA-N 2 1 342.528 1.308 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000665763938 452349553 /nfs/dbraw/zinc/34/95/53/452349553.db2.gz POSZNIWFPGVJAX-JYJNAYRXSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000665763938 452349560 /nfs/dbraw/zinc/34/95/60/452349560.db2.gz POSZNIWFPGVJAX-JYJNAYRXSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000663630131 452369615 /nfs/dbraw/zinc/36/96/15/452369615.db2.gz NAMQATVRHZKNOY-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000638079263 452392763 /nfs/dbraw/zinc/39/27/63/452392763.db2.gz ROWIJBSUPNYDDU-HKUYNNGSSA-N 2 1 347.459 1.267 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[NH2+]1 ZINC000659544884 452402556 /nfs/dbraw/zinc/40/25/56/452402556.db2.gz YINBMLACWFGKKK-CAOSSQGBSA-N 2 1 336.480 1.070 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652212662 452405854 /nfs/dbraw/zinc/40/58/54/452405854.db2.gz KMBIQDWEHWWMQK-AZUAARDMSA-N 2 1 344.503 1.944 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652212662 452405864 /nfs/dbraw/zinc/40/58/64/452405864.db2.gz KMBIQDWEHWWMQK-AZUAARDMSA-N 2 1 344.503 1.944 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000645473515 452442669 /nfs/dbraw/zinc/44/26/69/452442669.db2.gz RGWJNLINFLYVTC-LJQANCHMSA-N 2 1 345.487 1.798 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659603244 452458660 /nfs/dbraw/zinc/45/86/60/452458660.db2.gz XVKWQZFZUIMHIC-FUHWJXTLSA-N 2 1 349.523 1.083 20 0 EDADMP C[C@H]1[NH2+]CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)[C@@H]1C ZINC000659608286 452463410 /nfs/dbraw/zinc/46/34/10/452463410.db2.gz MAJFVJMUHIDFHK-KLHDSHLOSA-N 2 1 336.480 1.022 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654435608 452495584 /nfs/dbraw/zinc/49/55/84/452495584.db2.gz XJQJVMQAHKJAMR-CAOSSQGBSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654435608 452495594 /nfs/dbraw/zinc/49/55/94/452495594.db2.gz XJQJVMQAHKJAMR-CAOSSQGBSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654435608 452495605 /nfs/dbraw/zinc/49/56/05/452495605.db2.gz XJQJVMQAHKJAMR-CAOSSQGBSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654435608 452495618 /nfs/dbraw/zinc/49/56/18/452495618.db2.gz XJQJVMQAHKJAMR-CAOSSQGBSA-N 2 1 326.485 1.125 20 0 EDADMP OCCn1ncc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655698698 452519528 /nfs/dbraw/zinc/51/95/28/452519528.db2.gz UJCHATFMXXMZAP-WMZOPIPTSA-N 2 1 348.491 1.486 20 0 EDADMP O[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000647792962 452525091 /nfs/dbraw/zinc/52/50/91/452525091.db2.gz GMMHBLVMTIPEPX-WCIQWLHISA-N 3 1 329.488 1.601 20 0 EDADMP O[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000647792962 452525097 /nfs/dbraw/zinc/52/50/97/452525097.db2.gz GMMHBLVMTIPEPX-WCIQWLHISA-N 3 1 329.488 1.601 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCn3ccnc32)c1 ZINC000655708202 452525661 /nfs/dbraw/zinc/52/56/61/452525661.db2.gz JTOXNWVWPZVLDS-KRWDZBQOSA-N 2 1 341.459 1.799 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C2 ZINC000652351594 452528438 /nfs/dbraw/zinc/52/84/38/452528438.db2.gz JNKKKLOSZKFFDO-YDHLFZDLSA-N 2 1 333.398 1.848 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C2 ZINC000652351594 452528443 /nfs/dbraw/zinc/52/84/43/452528443.db2.gz JNKKKLOSZKFFDO-YDHLFZDLSA-N 2 1 333.398 1.848 20 0 EDADMP COCc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652351502 452528753 /nfs/dbraw/zinc/52/87/53/452528753.db2.gz BONKZBGKBQQFGG-HKUYNNGSSA-N 2 1 331.460 1.510 20 0 EDADMP COCc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652351502 452528760 /nfs/dbraw/zinc/52/87/60/452528760.db2.gz BONKZBGKBQQFGG-HKUYNNGSSA-N 2 1 331.460 1.510 20 0 EDADMP Cc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652360386 452540910 /nfs/dbraw/zinc/54/09/10/452540910.db2.gz GJKAMBVHYNZDIK-QRVBRYPASA-N 2 1 345.487 1.972 20 0 EDADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655734037 452546017 /nfs/dbraw/zinc/54/60/17/452546017.db2.gz XVNDQRJEJNCDRQ-IPMKNSEASA-N 2 1 337.508 1.207 20 0 EDADMP c1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)nc1 ZINC000655737354 452548788 /nfs/dbraw/zinc/54/87/88/452548788.db2.gz MDDAQIBEQLPTQI-MSOLQXFVSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482527 452553322 /nfs/dbraw/zinc/55/33/22/452553322.db2.gz NUYPDBRPFURRHD-JONQDZQNSA-N 2 1 342.528 1.760 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482527 452553327 /nfs/dbraw/zinc/55/33/27/452553327.db2.gz NUYPDBRPFURRHD-JONQDZQNSA-N 2 1 342.528 1.760 20 0 EDADMP COc1ccc([C@H](CO)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655777613 452572967 /nfs/dbraw/zinc/57/29/67/452572967.db2.gz VOINACFVERNDOG-FUHWJXTLSA-N 2 1 334.460 1.614 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000663849595 452576918 /nfs/dbraw/zinc/57/69/18/452576918.db2.gz KZAAZSQZWYKXNZ-QAPCUYQASA-N 2 1 348.491 1.393 20 0 EDADMP Cc1cc(CO)cc(NCc2ccccc2C[NH+]2CCC(O)CC2)[nH+]1 ZINC000647870027 452607743 /nfs/dbraw/zinc/60/77/43/452607743.db2.gz BKZIMTPAIDOLPW-UHFFFAOYSA-N 2 1 341.455 2.451 20 0 EDADMP O=C(C[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCCO1)N1CCCC1 ZINC000647889482 452630249 /nfs/dbraw/zinc/63/02/49/452630249.db2.gz VIARCMDPTFJYKK-GOSISDBHSA-N 2 1 337.508 1.870 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](CCc2noc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000655937004 452706308 /nfs/dbraw/zinc/70/63/08/452706308.db2.gz SCKGJYPLUZAHAE-OAHLLOKOSA-N 2 1 342.443 1.514 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCc1noc2ccccc12 ZINC000655939217 452708814 /nfs/dbraw/zinc/70/88/14/452708814.db2.gz MIDWVJXWNVZORI-CQSZACIVSA-N 2 1 330.432 1.690 20 0 EDADMP c1ccc(-n2nnnc2C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976416 452719930 /nfs/dbraw/zinc/71/99/30/452719930.db2.gz OBLABFRUVKGFHC-HZPDHXFCSA-N 2 1 326.448 1.874 20 0 EDADMP c1ccc(-n2nnnc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976416 452719936 /nfs/dbraw/zinc/71/99/36/452719936.db2.gz OBLABFRUVKGFHC-HZPDHXFCSA-N 2 1 326.448 1.874 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978559 452724191 /nfs/dbraw/zinc/72/41/91/452724191.db2.gz UWCGNRXLHQZQFM-JKSUJKDBSA-N 2 1 348.491 1.563 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655958518 452739623 /nfs/dbraw/zinc/73/96/23/452739623.db2.gz LXQGPQFEKYYGHN-RRQGHBQHSA-N 2 1 344.459 1.778 20 0 EDADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658146939 452755865 /nfs/dbraw/zinc/75/58/65/452755865.db2.gz WOMIFPUHFLZNBQ-VQIMIIECSA-N 2 1 347.503 1.990 20 0 EDADMP Cn1ccnc1[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)CO ZINC000664128467 452809034 /nfs/dbraw/zinc/80/90/34/452809034.db2.gz KQRKAOZLWCZIRN-TZMCWYRMSA-N 2 1 335.452 1.016 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(CCN2CCOCC2)CC2CC2)CC[N@H+]1C ZINC000664215687 452888867 /nfs/dbraw/zinc/88/88/67/452888867.db2.gz CNKMVUAZSGGYAQ-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC000654762766 452892329 /nfs/dbraw/zinc/89/23/29/452892329.db2.gz RJJSKXJZQNZWNC-CZUORRHYSA-N 2 1 331.464 1.520 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC000654762766 452892335 /nfs/dbraw/zinc/89/23/35/452892335.db2.gz RJJSKXJZQNZWNC-CZUORRHYSA-N 2 1 331.464 1.520 20 0 EDADMP Cc1nsc(N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)n1 ZINC000662263474 452992960 /nfs/dbraw/zinc/99/29/60/452992960.db2.gz MMMWNCVPYBEJML-UHFFFAOYSA-N 2 1 329.473 1.814 20 0 EDADMP CC(C)(C)n1nnc(CC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000662286969 453011443 /nfs/dbraw/zinc/01/14/43/453011443.db2.gz VIPWLADIXNHHAX-RRFJBIMHSA-N 2 1 336.484 1.189 20 0 EDADMP Cn1ncc2c1nc(C[N@@H+]1CCC[C@H](C3CC[NH2+]CC3)C1)[nH]c2=O ZINC000662295205 453019115 /nfs/dbraw/zinc/01/91/15/453019115.db2.gz FYDLAXGMJVIXMS-ZDUSSCGKSA-N 2 1 330.436 1.281 20 0 EDADMP Cn1ncc2c1nc(C[N@H+]1CCC[C@H](C3CC[NH2+]CC3)C1)[nH]c2=O ZINC000662295205 453019120 /nfs/dbraw/zinc/01/91/20/453019120.db2.gz FYDLAXGMJVIXMS-ZDUSSCGKSA-N 2 1 330.436 1.281 20 0 EDADMP COCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000650824878 453029860 /nfs/dbraw/zinc/02/98/60/453029860.db2.gz BXEHETPSVBGZEK-GOSISDBHSA-N 2 1 348.491 1.133 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000650824878 453029867 /nfs/dbraw/zinc/02/98/67/453029867.db2.gz BXEHETPSVBGZEK-GOSISDBHSA-N 2 1 348.491 1.133 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000650824878 453029873 /nfs/dbraw/zinc/02/98/73/453029873.db2.gz BXEHETPSVBGZEK-GOSISDBHSA-N 2 1 348.491 1.133 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000650824878 453029880 /nfs/dbraw/zinc/02/98/80/453029880.db2.gz BXEHETPSVBGZEK-GOSISDBHSA-N 2 1 348.491 1.133 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)[C@@H]1CCC[NH3+] ZINC000662313607 453031281 /nfs/dbraw/zinc/03/12/81/453031281.db2.gz JJHPXZUOZMIKDY-ZJPYXAASSA-N 2 1 337.508 1.996 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000660120913 453046515 /nfs/dbraw/zinc/04/65/15/453046515.db2.gz QDSGSXWQKLHEME-UHFFFAOYSA-N 2 1 348.495 1.051 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000650877226 453077181 /nfs/dbraw/zinc/07/71/81/453077181.db2.gz QAXUXIJXZVBOTO-HKUYNNGSSA-N 2 1 342.487 1.791 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000650877226 453077190 /nfs/dbraw/zinc/07/71/90/453077190.db2.gz QAXUXIJXZVBOTO-HKUYNNGSSA-N 2 1 342.487 1.791 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000650877226 453077199 /nfs/dbraw/zinc/07/71/99/453077199.db2.gz QAXUXIJXZVBOTO-HKUYNNGSSA-N 2 1 342.487 1.791 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000650877226 453077206 /nfs/dbraw/zinc/07/72/06/453077206.db2.gz QAXUXIJXZVBOTO-HKUYNNGSSA-N 2 1 342.487 1.791 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)c2cc3c(s2)CC[NH2+]C3)C[C@H](C)O1 ZINC000662368228 453079085 /nfs/dbraw/zinc/07/90/85/453079085.db2.gz NEOYAHYEOZQRHD-BETUJISGSA-N 2 1 337.489 1.623 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)CCO)CC2)CC1 ZINC000654969922 453089108 /nfs/dbraw/zinc/08/91/08/453089108.db2.gz OXJMPAMYQXZXFE-UHFFFAOYSA-N 2 1 325.497 1.460 20 0 EDADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000666723833 453099427 /nfs/dbraw/zinc/09/94/27/453099427.db2.gz OVXQAXBICDKTFQ-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662402528 453112068 /nfs/dbraw/zinc/11/20/68/453112068.db2.gz BFOSIHCWPJMOQM-KGLIPLIRSA-N 2 1 334.468 1.053 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662401817 453113376 /nfs/dbraw/zinc/11/33/76/453113376.db2.gz BNVMSPMCFZFRGI-ZIAGYGMSSA-N 2 1 333.480 1.727 20 0 EDADMP CN(CC[NH+]1CCCCC1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000652989790 453179337 /nfs/dbraw/zinc/17/93/37/453179337.db2.gz UYQUOPKTMYTLOO-HXUWFJFHSA-N 2 1 345.487 1.568 20 0 EDADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000646186655 453200247 /nfs/dbraw/zinc/20/02/47/453200247.db2.gz DIJZKNQMZSGSMZ-HZPDHXFCSA-N 2 1 348.495 1.019 20 0 EDADMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cn2)CC1 ZINC000648737402 453224721 /nfs/dbraw/zinc/22/47/21/453224721.db2.gz NPDBYKDJFNYXED-NVXWUHKLSA-N 2 1 345.491 1.180 20 0 EDADMP COc1cc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1OCC[NH+](C)C ZINC000648759915 453242162 /nfs/dbraw/zinc/24/21/62/453242162.db2.gz ZVNZLNDBASLOKW-GDBMZVCRSA-N 2 1 349.475 1.592 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)CCO)CC2)CC1 ZINC000655166820 453283639 /nfs/dbraw/zinc/28/36/39/453283639.db2.gz MUTCKDVKNXFLFN-OAHLLOKOSA-N 2 1 325.497 1.412 20 0 EDADMP C[NH2+][C@@H](C(=O)N1CCC(O)(C[NH3+])CC1)c1cccc(Cl)c1Cl ZINC000662578659 453305050 /nfs/dbraw/zinc/30/50/50/453305050.db2.gz DSNFQFBMPPLMMH-CYBMUJFWSA-N 2 1 346.258 1.566 20 0 EDADMP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000662661911 453375774 /nfs/dbraw/zinc/37/57/74/453375774.db2.gz XAWNIYFWPYWLIG-HNNXBMFYSA-N 2 1 325.403 1.746 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000662661911 453375783 /nfs/dbraw/zinc/37/57/83/453375783.db2.gz XAWNIYFWPYWLIG-HNNXBMFYSA-N 2 1 325.403 1.746 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662669314 453382287 /nfs/dbraw/zinc/38/22/87/453382287.db2.gz WYFCKZVGNPBPRI-KBPBESRZSA-N 2 1 331.464 1.623 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000658779738 453385982 /nfs/dbraw/zinc/38/59/82/453385982.db2.gz SXLXPDVAMHDRQI-MRXNPFEDSA-N 2 1 332.448 1.287 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1([NH2+]C2CC2)CCC1 ZINC000662675004 453392518 /nfs/dbraw/zinc/39/25/18/453392518.db2.gz IOZPVCFOCKPMDS-UHFFFAOYSA-N 2 1 343.471 1.810 20 0 EDADMP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000662683268 453404193 /nfs/dbraw/zinc/40/41/93/453404193.db2.gz PZODCWBCEQXUAM-KOHRHEQBSA-N 2 1 331.435 1.987 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NCCC2(C[NH3+])CC2)c2ccccc2)CC1 ZINC000653220974 453409398 /nfs/dbraw/zinc/40/93/98/453409398.db2.gz BNXPIIBUSVUHCB-QGZVFWFLSA-N 2 1 330.476 1.220 20 0 EDADMP [NH3+]CC1(CCNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000653220495 453409762 /nfs/dbraw/zinc/40/97/62/453409762.db2.gz JLWWCXATUCADIK-UHFFFAOYSA-N 2 1 330.476 1.049 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3[NH2+]CCC3(C)C)c2)CCO1 ZINC000662696673 453417234 /nfs/dbraw/zinc/41/72/34/453417234.db2.gz QVNQNACYPCVJGS-MAUKXSAKSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3[NH2+]CCC3(C)C)c2)CCO1 ZINC000662696673 453417241 /nfs/dbraw/zinc/41/72/41/453417241.db2.gz QVNQNACYPCVJGS-MAUKXSAKSA-N 2 1 345.487 1.912 20 0 EDADMP CC[NH+](CC)[C@@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000655298235 453418316 /nfs/dbraw/zinc/41/83/16/453418316.db2.gz ALSIEDINTBFXFT-RCCFBDPRSA-N 2 1 331.460 1.347 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662700815 453422178 /nfs/dbraw/zinc/42/21/78/453422178.db2.gz LMEBPXIYHYYUBE-HZPDHXFCSA-N 2 1 348.495 1.443 20 0 EDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1C[NH2+]CCO1 ZINC000662716838 453440907 /nfs/dbraw/zinc/44/09/07/453440907.db2.gz WYUQHDWPLXHUJY-ROUUACIJSA-N 2 1 343.471 1.393 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@H]([NH3+])C3)CC2)cs1 ZINC000662730270 453456861 /nfs/dbraw/zinc/45/68/61/453456861.db2.gz WXBXTSZESULKGA-HDJSIYSDSA-N 2 1 336.505 1.771 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@H]1C ZINC000662743794 453471885 /nfs/dbraw/zinc/47/18/85/453471885.db2.gz UDTOHSZHORNBHX-OAGGEKHMSA-N 2 1 348.495 1.538 20 0 EDADMP [NH3+][C@@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1ccc(F)cc1F ZINC000662779797 453515207 /nfs/dbraw/zinc/51/52/07/453515207.db2.gz UQBKETAADQXGLU-ISVAXAHUSA-N 2 1 338.383 1.876 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000662788011 453522069 /nfs/dbraw/zinc/52/20/69/453522069.db2.gz FVTHEFGPYQPBPB-OALUTQOASA-N 2 1 345.487 1.517 20 0 EDADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662792958 453527037 /nfs/dbraw/zinc/52/70/37/453527037.db2.gz PQVDCKXJWXTQEG-GOEBONIOSA-N 2 1 334.468 1.005 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662792958 453527041 /nfs/dbraw/zinc/52/70/41/453527041.db2.gz PQVDCKXJWXTQEG-GOEBONIOSA-N 2 1 334.468 1.005 20 0 EDADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662792957 453527111 /nfs/dbraw/zinc/52/71/11/453527111.db2.gz PQVDCKXJWXTQEG-GDBMZVCRSA-N 2 1 334.468 1.005 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662792957 453527116 /nfs/dbraw/zinc/52/71/16/453527116.db2.gz PQVDCKXJWXTQEG-GDBMZVCRSA-N 2 1 334.468 1.005 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662791989 453527787 /nfs/dbraw/zinc/52/77/87/453527787.db2.gz UJXHDUJWJURLSC-AWEZNQCLSA-N 2 1 349.479 1.111 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NCC[NH2+]C2CC2)ccc1Cl ZINC000667295392 453542040 /nfs/dbraw/zinc/54/20/40/453542040.db2.gz FFHSFPDGHHXUHO-UHFFFAOYSA-N 2 1 338.839 1.208 20 0 EDADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(C2CC[NH2+]CC2)no1 ZINC000662834424 453561382 /nfs/dbraw/zinc/56/13/82/453561382.db2.gz HGYKSKVPMBAAJD-GOEBONIOSA-N 2 1 332.448 1.888 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662851693 453571678 /nfs/dbraw/zinc/57/16/78/453571678.db2.gz BXQZKCDBFBJXIY-UONOGXRCSA-N 2 1 334.468 1.195 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662859478 453573711 /nfs/dbraw/zinc/57/37/11/453573711.db2.gz NGRLHIINHJBHHD-IPMKNSEASA-N 2 1 343.471 1.400 20 0 EDADMP CO[C@H]1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000665118988 453581588 /nfs/dbraw/zinc/58/15/88/453581588.db2.gz KERSEMQGYAAMTM-JYJNAYRXSA-N 2 1 340.512 1.515 20 0 EDADMP CO[C@H]1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000665118988 453581590 /nfs/dbraw/zinc/58/15/90/453581590.db2.gz KERSEMQGYAAMTM-JYJNAYRXSA-N 2 1 340.512 1.515 20 0 EDADMP CN(C(=O)[C@H]1CCCC[C@]1(C)[NH3+])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899096 453593907 /nfs/dbraw/zinc/59/39/07/453593907.db2.gz BDGXCMIIVWDQSP-SCTDSRPQSA-N 2 1 336.524 1.521 20 0 EDADMP CN(C(=O)[C@H]1CCCC[C@]1(C)[NH3+])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899096 453593909 /nfs/dbraw/zinc/59/39/09/453593909.db2.gz BDGXCMIIVWDQSP-SCTDSRPQSA-N 2 1 336.524 1.521 20 0 EDADMP CN(C(=O)c1cccc2c1C[NH2+]C2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900168 453594341 /nfs/dbraw/zinc/59/43/41/453594341.db2.gz JRAATRFBDDDIBD-KRWDZBQOSA-N 2 1 342.487 1.530 20 0 EDADMP CN(C(=O)c1cccc2c1C[NH2+]C2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900168 453594345 /nfs/dbraw/zinc/59/43/45/453594345.db2.gz JRAATRFBDDDIBD-KRWDZBQOSA-N 2 1 342.487 1.530 20 0 EDADMP C[NH+](C)C1CCC(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000665173617 453600729 /nfs/dbraw/zinc/60/07/29/453600729.db2.gz UKWNZZLDGQZYCO-VMBOVVBDSA-N 2 1 338.496 1.100 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000665232435 453617722 /nfs/dbraw/zinc/61/77/22/453617722.db2.gz MUMFDHHMTIERMF-GOEBONIOSA-N 2 1 345.443 1.774 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CCO1 ZINC000662972822 453630957 /nfs/dbraw/zinc/63/09/57/453630957.db2.gz MOARXZZXGJEQGB-CJNGLKHVSA-N 2 1 341.402 1.534 20 0 EDADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291129 453637917 /nfs/dbraw/zinc/63/79/17/453637917.db2.gz VFOHNDJJAQEGQF-JTQLQIEISA-N 2 1 349.822 1.801 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000663002417 453642553 /nfs/dbraw/zinc/64/25/53/453642553.db2.gz FPERRMXTQXWFAB-CABCVRRESA-N 2 1 331.464 1.338 20 0 EDADMP O=C(CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Nc1cccc(F)c1 ZINC000663365330 453780874 /nfs/dbraw/zinc/78/08/74/453780874.db2.gz ZJCQEHXZVKWXQU-QGZVFWFLSA-N 2 1 335.423 1.997 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360591 453799587 /nfs/dbraw/zinc/79/95/87/453799587.db2.gz GMVYTQRILZFIAX-LVQVYYBASA-N 2 1 340.512 1.656 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360591 453799591 /nfs/dbraw/zinc/79/95/91/453799591.db2.gz GMVYTQRILZFIAX-LVQVYYBASA-N 2 1 340.512 1.656 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360591 453799594 /nfs/dbraw/zinc/79/95/94/453799594.db2.gz GMVYTQRILZFIAX-LVQVYYBASA-N 2 1 340.512 1.656 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360591 453799597 /nfs/dbraw/zinc/79/95/97/453799597.db2.gz GMVYTQRILZFIAX-LVQVYYBASA-N 2 1 340.512 1.656 20 0 EDADMP CCN(C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@H]1CC[N@@H+](CC)C1 ZINC000663480843 453805788 /nfs/dbraw/zinc/80/57/88/453805788.db2.gz UDPOJTPOPCGOJL-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP CCN(C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CC[NH+](CC)C1 ZINC000663480843 453805790 /nfs/dbraw/zinc/80/57/90/453805790.db2.gz UDPOJTPOPCGOJL-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP CCN(C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CC[NH+](CC)C1 ZINC000663480843 453805791 /nfs/dbraw/zinc/80/57/91/453805791.db2.gz UDPOJTPOPCGOJL-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000663496229 453810363 /nfs/dbraw/zinc/81/03/63/453810363.db2.gz DVBIZHORDXYGAL-GUYCJALGSA-N 3 1 336.505 1.507 20 0 EDADMP Cc1ncsc1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663513641 453813469 /nfs/dbraw/zinc/81/34/69/453813469.db2.gz SUFBDAKYJWLXHP-CQSZACIVSA-N 2 1 346.504 1.964 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[C@H]1CCSC1 ZINC000614437943 486654458 /nfs/dbraw/zinc/65/44/58/486654458.db2.gz LAUNFYLPOWYFAL-CVEARBPZSA-N 2 1 341.521 1.137 20 0 EDADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676332624 486738645 /nfs/dbraw/zinc/73/86/45/486738645.db2.gz PCDOHSFDEKRMNY-QAPCUYQASA-N 2 1 331.460 1.731 20 0 EDADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676332624 486738651 /nfs/dbraw/zinc/73/86/51/486738651.db2.gz PCDOHSFDEKRMNY-QAPCUYQASA-N 2 1 331.460 1.731 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[NH+](CCO)C(C)(C)C1)Cc1ccccc1 ZINC000672756733 486792522 /nfs/dbraw/zinc/79/25/22/486792522.db2.gz GYNXTRWSCZBWOR-UHFFFAOYSA-N 2 1 348.491 1.217 20 0 EDADMP C[NH+](CCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)Cc1ccccc1 ZINC000672756733 486792528 /nfs/dbraw/zinc/79/25/28/486792528.db2.gz GYNXTRWSCZBWOR-UHFFFAOYSA-N 2 1 348.491 1.217 20 0 EDADMP C[NH+](CCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)Cc1ccccc1 ZINC000672756733 486792533 /nfs/dbraw/zinc/79/25/33/486792533.db2.gz GYNXTRWSCZBWOR-UHFFFAOYSA-N 2 1 348.491 1.217 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)C1 ZINC000680529785 486802511 /nfs/dbraw/zinc/80/25/11/486802511.db2.gz PTWNHPKXWCGWTO-QGZVFWFLSA-N 2 1 344.507 1.683 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)C1 ZINC000680529785 486802516 /nfs/dbraw/zinc/80/25/16/486802516.db2.gz PTWNHPKXWCGWTO-QGZVFWFLSA-N 2 1 344.507 1.683 20 0 EDADMP CC[N@H+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@@H]1C ZINC000683812558 486824969 /nfs/dbraw/zinc/82/49/69/486824969.db2.gz BCPAPHDXGYLQCK-AWEZNQCLSA-N 2 1 334.468 1.708 20 0 EDADMP C[C@@H](CCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)[NH+]1CCCCC1 ZINC000673015665 486880695 /nfs/dbraw/zinc/88/06/95/486880695.db2.gz ZKVYLQIRCHJJMH-INIZCTEOSA-N 2 1 340.512 1.349 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000680890542 486885950 /nfs/dbraw/zinc/88/59/50/486885950.db2.gz INYALSPIDKDDOU-QGZVFWFLSA-N 2 1 330.476 1.547 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)CCCO1 ZINC000667804527 486973921 /nfs/dbraw/zinc/97/39/21/486973921.db2.gz BGNDCPIQGNEQRV-AWEZNQCLSA-N 2 1 347.463 1.350 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1)c1ccccc1 ZINC000681216062 486974964 /nfs/dbraw/zinc/97/49/64/486974964.db2.gz QOKCZYRADNMPLE-HUUCEWRRSA-N 2 1 325.403 1.993 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C(F)F)C1)c1ccccc1 ZINC000681216062 486974969 /nfs/dbraw/zinc/97/49/69/486974969.db2.gz QOKCZYRADNMPLE-HUUCEWRRSA-N 2 1 325.403 1.993 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1 ZINC000684199327 486982680 /nfs/dbraw/zinc/98/26/80/486982680.db2.gz NLYOXIRKDDASNB-SJORKVTESA-N 2 1 332.496 1.027 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000673446151 487003193 /nfs/dbraw/zinc/00/31/93/487003193.db2.gz GNHJVYSZPUUTEQ-IBGZPJMESA-N 2 1 342.487 1.402 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000673673815 487087790 /nfs/dbraw/zinc/08/77/90/487087790.db2.gz YDCSYFVJUBGHON-GOSISDBHSA-N 2 1 336.524 1.345 20 0 EDADMP CN(Cc1c(C2CC2)cnn1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668162175 487125082 /nfs/dbraw/zinc/12/50/82/487125082.db2.gz QJCBSAIQCKPPCQ-KRWDZBQOSA-N 2 1 331.508 1.898 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000677648092 487140765 /nfs/dbraw/zinc/14/07/65/487140765.db2.gz QWJUTFRHHDUSGW-UHFFFAOYSA-N 2 1 349.475 1.156 20 0 EDADMP Cc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C)nn1 ZINC000678071346 487240024 /nfs/dbraw/zinc/24/00/24/487240024.db2.gz AUSWHCWWQKOAHV-UHFFFAOYSA-N 2 1 326.404 1.493 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1 ZINC000681994083 487274841 /nfs/dbraw/zinc/27/48/41/487274841.db2.gz KWERGHJDQMBOBC-UHFFFAOYSA-N 2 1 334.464 1.669 20 0 EDADMP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685441694 487275336 /nfs/dbraw/zinc/27/53/36/487275336.db2.gz LGYQVLUGWFHGOP-MJGOQNOKSA-N 2 1 347.503 1.922 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675114106 487379809 /nfs/dbraw/zinc/37/98/09/487379809.db2.gz FSADUQOQLUXFFY-YOEHRIQHSA-N 2 1 329.448 1.396 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000679381980 487420070 /nfs/dbraw/zinc/42/00/70/487420070.db2.gz QZXHPWMRGCAFCQ-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000675885872 487456503 /nfs/dbraw/zinc/45/65/03/487456503.db2.gz JJQOICFUOYNAQA-MSOLQXFVSA-N 2 1 325.497 1.188 20 0 EDADMP OCC[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](CCO)C3)COC2)C1 ZINC000679850160 487468725 /nfs/dbraw/zinc/46/87/25/487468725.db2.gz AGPYQIRBJOMOGD-ROUUACIJSA-N 2 1 340.508 1.192 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669528946 485504303 /nfs/dbraw/zinc/50/43/03/485504303.db2.gz VICJIQMCGCKGHS-HPFXQQBRSA-N 2 1 334.508 1.890 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000669529961 485504908 /nfs/dbraw/zinc/50/49/08/485504908.db2.gz LKFGAVPDXJXCCU-DLBZAZTESA-N 2 1 331.464 1.612 20 0 EDADMP C[C@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000325365278 485702321 /nfs/dbraw/zinc/70/23/21/485702321.db2.gz QSXRGRJMNZDZFI-RYQLBKOJSA-N 2 1 331.460 1.646 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000668542965 485872785 /nfs/dbraw/zinc/87/27/85/485872785.db2.gz TUADQAZGDSUOCQ-SJLPKXTDSA-N 2 1 331.460 1.728 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000668667953 486018854 /nfs/dbraw/zinc/01/88/54/486018854.db2.gz KZCVBHMSIZPNBO-IBGZPJMESA-N 2 1 345.487 1.657 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@@H]1CCCC[NH2+]1 ZINC000238100976 486028654 /nfs/dbraw/zinc/02/86/54/486028654.db2.gz HLNJGIWXOCNOEY-ROUUACIJSA-N 2 1 331.460 1.536 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@@H]1CCCC[NH2+]1 ZINC000238100976 486028661 /nfs/dbraw/zinc/02/86/61/486028661.db2.gz HLNJGIWXOCNOEY-ROUUACIJSA-N 2 1 331.460 1.536 20 0 EDADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000669491361 486263574 /nfs/dbraw/zinc/26/35/74/486263574.db2.gz WPWLIAAAOODYSX-IRXDYDNUSA-N 2 1 334.508 1.890 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CCC2)c1ccccc1 ZINC000670406107 486448596 /nfs/dbraw/zinc/44/85/96/486448596.db2.gz GTOVHBIGPABWKY-QZTJIDSGSA-N 2 1 330.476 1.186 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1 ZINC000670406107 486448598 /nfs/dbraw/zinc/44/85/98/486448598.db2.gz GTOVHBIGPABWKY-QZTJIDSGSA-N 2 1 330.476 1.186 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccccc1 ZINC000670406107 486448602 /nfs/dbraw/zinc/44/86/02/486448602.db2.gz GTOVHBIGPABWKY-QZTJIDSGSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H](C[NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494784 490998440 /nfs/dbraw/zinc/99/84/40/490998440.db2.gz MAYSXIZMHNUGIO-CGTJXYLNSA-N 2 1 346.475 1.266 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H](C[NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494784 490998441 /nfs/dbraw/zinc/99/84/41/490998441.db2.gz MAYSXIZMHNUGIO-CGTJXYLNSA-N 2 1 346.475 1.266 20 0 EDADMP COC1CC[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000080155828 491171351 /nfs/dbraw/zinc/17/13/51/491171351.db2.gz MGCUKMGYGWTZDX-MQVJKMGUSA-N 2 1 338.496 1.412 20 0 EDADMP CC(C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[NH+]1CCOCC1 ZINC000331878865 534999711 /nfs/dbraw/zinc/99/97/11/534999711.db2.gz DQKIBPWGGSDUFF-QAETUUGQSA-N 2 1 338.496 1.112 20 0 EDADMP CC(C)[NH+](CCNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)C(C)C ZINC000090512066 535070768 /nfs/dbraw/zinc/07/07/68/535070768.db2.gz MIHSSPOEWHFUQE-SJORKVTESA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)[NH+](CCNC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)C(C)C ZINC000090512066 535070773 /nfs/dbraw/zinc/07/07/73/535070773.db2.gz MIHSSPOEWHFUQE-SJORKVTESA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]3CCC[C@@H]32)C1 ZINC000075769171 535118402 /nfs/dbraw/zinc/11/84/02/535118402.db2.gz WMRHDELWPDOYEU-KURKYZTESA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H]3CCC[C@@H]32)C1 ZINC000075769171 535118404 /nfs/dbraw/zinc/11/84/04/535118404.db2.gz WMRHDELWPDOYEU-KURKYZTESA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)C1 ZINC000075769171 535118407 /nfs/dbraw/zinc/11/84/07/535118407.db2.gz WMRHDELWPDOYEU-KURKYZTESA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)[C@@H]1C[NH+](CC(O)C[N@@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000339824898 535262906 /nfs/dbraw/zinc/26/29/06/535262906.db2.gz ZPFXHSPYDRQOOO-OALUTQOASA-N 2 1 342.524 1.841 20 0 EDADMP CC(C)[C@@H]1C[NH+](CC(O)C[N@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000339824898 535262909 /nfs/dbraw/zinc/26/29/09/535262909.db2.gz ZPFXHSPYDRQOOO-OALUTQOASA-N 2 1 342.524 1.841 20 0 EDADMP CC[C@@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)[NH+](C)C ZINC000248061041 535419928 /nfs/dbraw/zinc/41/99/28/535419928.db2.gz YJOKBSLLFLOJLV-YJBOKZPZSA-N 2 1 333.476 1.864 20 0 EDADMP CC[C@@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)[NH+](C)C ZINC000248061041 535419930 /nfs/dbraw/zinc/41/99/30/535419930.db2.gz YJOKBSLLFLOJLV-YJBOKZPZSA-N 2 1 333.476 1.864 20 0 EDADMP CC[NH+](CC)CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000347875500 535488252 /nfs/dbraw/zinc/48/82/52/535488252.db2.gz MIQYOJSFOHSGHS-MAUKXSAKSA-N 2 1 335.496 1.603 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000236990411 535950201 /nfs/dbraw/zinc/95/02/01/535950201.db2.gz FFULNWJVEWOULR-SJCJKPOMSA-N 2 1 333.480 1.894 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[NH2+][C@H]3C)CC2)cn1 ZINC000333475924 536053304 /nfs/dbraw/zinc/05/33/04/536053304.db2.gz BKWLYSSFFRARJF-RDJZCZTQSA-N 2 1 348.495 1.261 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[NH2+][C@H]3C)CC2)cn1 ZINC000333475924 536053306 /nfs/dbraw/zinc/05/33/06/536053306.db2.gz BKWLYSSFFRARJF-RDJZCZTQSA-N 2 1 348.495 1.261 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000262105927 536303263 /nfs/dbraw/zinc/30/32/63/536303263.db2.gz MHKYHQVPXFVGKD-IBGZPJMESA-N 3 1 344.503 1.262 20 0 EDADMP C[NH+](CCC(=O)N1CC[NH2+]CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262105927 536303269 /nfs/dbraw/zinc/30/32/69/536303269.db2.gz MHKYHQVPXFVGKD-IBGZPJMESA-N 3 1 344.503 1.262 20 0 EDADMP C[NH+](CCC(=O)N1CC[NH2+]CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262105927 536303271 /nfs/dbraw/zinc/30/32/71/536303271.db2.gz MHKYHQVPXFVGKD-IBGZPJMESA-N 3 1 344.503 1.262 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000333809907 536374837 /nfs/dbraw/zinc/37/48/37/536374837.db2.gz JBNUWQBDRRRAHM-QGZVFWFLSA-N 2 1 326.485 1.128 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000333809907 536374838 /nfs/dbraw/zinc/37/48/38/536374838.db2.gz JBNUWQBDRRRAHM-QGZVFWFLSA-N 2 1 326.485 1.128 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)[C@@H]3CCC[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000237553960 536915166 /nfs/dbraw/zinc/91/51/66/536915166.db2.gz PJBLRLMJZZBYEO-BZSNNMDCSA-N 2 1 329.444 1.841 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)[C@@H]3CCC[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000237553960 536915168 /nfs/dbraw/zinc/91/51/68/536915168.db2.gz PJBLRLMJZZBYEO-BZSNNMDCSA-N 2 1 329.444 1.841 20 0 EDADMP CC(C)Nc1ncnc2c1ncn2C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000729465247 578576180 /nfs/dbraw/zinc/57/61/80/578576180.db2.gz IEDAHLULQXYVKR-UHFFFAOYSA-N 2 1 331.468 1.878 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729690162 578588054 /nfs/dbraw/zinc/58/80/54/578588054.db2.gz XYKKFOGWAMMUCV-GOSISDBHSA-N 2 1 338.540 1.642 20 0 EDADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC[NH+]1CCOCC1)c1ccccc1 ZINC000731629260 578677478 /nfs/dbraw/zinc/67/74/78/578677478.db2.gz AJSAKUBWLDELIU-MRXNPFEDSA-N 2 1 333.476 1.954 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000732448210 578712701 /nfs/dbraw/zinc/71/27/01/578712701.db2.gz FPZAHNAHLSCBNY-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[N@@H+](C)CC(=O)N1CCN(C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000735330647 578876701 /nfs/dbraw/zinc/87/67/01/578876701.db2.gz GQGCNFFAATWKDR-SJLPKXTDSA-N 2 1 333.476 1.595 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@@H+](CN3CCC4(CCOCC4)C3=O)C2)CC1 ZINC000777542148 580444042 /nfs/dbraw/zinc/44/40/42/580444042.db2.gz RFGBSUROQRZQGK-KRWDZBQOSA-N 2 1 335.492 1.637 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000747556053 579648830 /nfs/dbraw/zinc/64/88/30/579648830.db2.gz MQBXDBMVBIWIRH-GJZGRUSLSA-N 2 1 336.484 1.687 20 0 EDADMP CCN(CC)C(=O)C1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCCC1 ZINC000749324256 579721631 /nfs/dbraw/zinc/72/16/31/579721631.db2.gz LHGFWZKFJKZWFE-MRXNPFEDSA-N 2 1 325.497 1.604 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000749512478 579729114 /nfs/dbraw/zinc/72/91/14/579729114.db2.gz AIPARBZFDARIKL-LPHOPBHVSA-N 2 1 343.471 1.999 20 0 EDADMP NC(=O)COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000749512478 579729117 /nfs/dbraw/zinc/72/91/17/579729117.db2.gz AIPARBZFDARIKL-LPHOPBHVSA-N 2 1 343.471 1.999 20 0 EDADMP NC(=O)COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000749512478 579729118 /nfs/dbraw/zinc/72/91/18/579729118.db2.gz AIPARBZFDARIKL-LPHOPBHVSA-N 2 1 343.471 1.999 20 0 EDADMP CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000750287172 579758335 /nfs/dbraw/zinc/75/83/35/579758335.db2.gz AFAXKMBLUSOBNT-CVEARBPZSA-N 2 1 341.496 1.680 20 0 EDADMP CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000750287172 579758336 /nfs/dbraw/zinc/75/83/36/579758336.db2.gz AFAXKMBLUSOBNT-CVEARBPZSA-N 2 1 341.496 1.680 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CC[NH+]2CCOCC2)C1 ZINC000750864365 579784665 /nfs/dbraw/zinc/78/46/65/579784665.db2.gz KTICIHKGPXYQDM-CALCHBBNSA-N 2 1 325.497 1.583 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CC[NH+]2CCOCC2)C1 ZINC000750864365 579784666 /nfs/dbraw/zinc/78/46/66/579784666.db2.gz KTICIHKGPXYQDM-CALCHBBNSA-N 2 1 325.497 1.583 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1nccn1C ZINC000751148015 579795436 /nfs/dbraw/zinc/79/54/36/579795436.db2.gz MDJKXIMKZWYBCB-UHFFFAOYSA-N 2 1 347.507 1.688 20 0 EDADMP COC(=O)C1CCC([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000761966897 580064442 /nfs/dbraw/zinc/06/44/42/580064442.db2.gz YSAYLKFRTWYEDN-UHFFFAOYSA-N 2 1 347.463 1.050 20 0 EDADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765977647 580155624 /nfs/dbraw/zinc/15/56/24/580155624.db2.gz RHIZWPAMTZJIDS-DOTOQJQBSA-N 2 1 325.497 1.866 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000766705072 580172311 /nfs/dbraw/zinc/17/23/11/580172311.db2.gz PGHOBCZHTQDREI-UHFFFAOYSA-N 2 1 344.569 1.493 20 0 EDADMP C[C@@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000770434871 580260409 /nfs/dbraw/zinc/26/04/09/580260409.db2.gz IFGQFLPKGBJHBG-QAPCUYQASA-N 2 1 348.491 1.609 20 0 EDADMP C[C@@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000770434871 580260410 /nfs/dbraw/zinc/26/04/10/580260410.db2.gz IFGQFLPKGBJHBG-QAPCUYQASA-N 2 1 348.491 1.609 20 0 EDADMP CCNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000772976511 580324585 /nfs/dbraw/zinc/32/45/85/580324585.db2.gz HDJHKOBEWRVWIL-WBVHZDCISA-N 2 1 339.505 1.426 20 0 EDADMP CCNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000772976511 580324586 /nfs/dbraw/zinc/32/45/86/580324586.db2.gz HDJHKOBEWRVWIL-WBVHZDCISA-N 2 1 339.505 1.426 20 0 EDADMP COC(=O)C(C)(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000775553496 580393480 /nfs/dbraw/zinc/39/34/80/580393480.db2.gz PFDCNTMVEJALRU-IRXDYDNUSA-N 2 1 334.460 1.973 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc3nccn32)CC1 ZINC000776842223 580429908 /nfs/dbraw/zinc/42/99/08/580429908.db2.gz VGFBQPPJHZKYQX-UHFFFAOYSA-N 2 1 336.399 1.733 20 0 EDADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000778984132 580477379 /nfs/dbraw/zinc/47/73/79/580477379.db2.gz UGRADXIDGZODEV-XHSDSOJGSA-N 2 1 341.496 1.678 20 0 EDADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000778984132 580477380 /nfs/dbraw/zinc/47/73/80/580477380.db2.gz UGRADXIDGZODEV-XHSDSOJGSA-N 2 1 341.496 1.678 20 0 EDADMP Cc1ccccc1[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000779604317 580491065 /nfs/dbraw/zinc/49/10/65/580491065.db2.gz VXBQKFHNIIPWMA-GOSISDBHSA-N 2 1 334.460 1.188 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000779654010 580493264 /nfs/dbraw/zinc/49/32/64/580493264.db2.gz NANUJZUFHLRABO-ZNMIVQPWSA-N 2 1 340.468 1.099 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000779654010 580493265 /nfs/dbraw/zinc/49/32/65/580493265.db2.gz NANUJZUFHLRABO-ZNMIVQPWSA-N 2 1 340.468 1.099 20 0 EDADMP CCOCOc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000782961143 580589192 /nfs/dbraw/zinc/58/91/92/580589192.db2.gz XXTYGRKQBMTJRI-UHFFFAOYSA-N 2 1 335.448 1.313 20 0 EDADMP Cn1cncc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000783989709 580610493 /nfs/dbraw/zinc/61/04/93/580610493.db2.gz IANKFWXLNSOSNF-DLBZAZTESA-N 2 1 345.491 1.357 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C(C)(C)C3CCOCC3)cn2)CC1 ZINC000785603655 580648081 /nfs/dbraw/zinc/64/80/81/580648081.db2.gz XKONQADWQJFBGS-UHFFFAOYSA-N 2 1 333.480 1.523 20 0 EDADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=S)NCCC[NH+]1CCOCC1 ZINC000790605826 580773675 /nfs/dbraw/zinc/77/36/75/580773675.db2.gz VKSSNPXLCBCHFW-OAHLLOKOSA-N 2 1 342.553 1.293 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=S)NCCC[NH+]1CCOCC1 ZINC000790605826 580773676 /nfs/dbraw/zinc/77/36/76/580773676.db2.gz VKSSNPXLCBCHFW-OAHLLOKOSA-N 2 1 342.553 1.293 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)NCCC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000891893509 590675382 /nfs/dbraw/zinc/67/53/82/590675382.db2.gz WKNOMJQNFSPTHG-MOPGFXCFSA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+]1C[C@H]2CCN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000891893509 590675385 /nfs/dbraw/zinc/67/53/85/590675385.db2.gz WKNOMJQNFSPTHG-MOPGFXCFSA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+]1C[C@H]2CCN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000891893509 590675388 /nfs/dbraw/zinc/67/53/88/590675388.db2.gz WKNOMJQNFSPTHG-MOPGFXCFSA-N 2 1 342.487 1.780 20 0 EDADMP C[C@@]12CN(C(=O)N[C@H]3CCC[NH2+]C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000892017113 590748487 /nfs/dbraw/zinc/74/84/87/590748487.db2.gz RFFCVKKWAOJBHZ-CMKODMSKSA-N 2 1 342.487 1.902 20 0 EDADMP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000892183753 590851601 /nfs/dbraw/zinc/85/16/01/590851601.db2.gz KJRYOABRRHWWTI-GOSISDBHSA-N 2 1 346.475 1.065 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccco1 ZINC000892410904 591016886 /nfs/dbraw/zinc/01/68/86/591016886.db2.gz DFUROPZHGWATBH-OWCLPIDISA-N 2 1 334.464 1.866 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000892481252 591042581 /nfs/dbraw/zinc/04/25/81/591042581.db2.gz OHCZGDSURTZVKG-HZPDHXFCSA-N 2 1 331.464 1.516 20 0 EDADMP [NH3+][C@H](CCNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000891364497 591062121 /nfs/dbraw/zinc/06/21/21/591062121.db2.gz VIYJOMBMJQDUHB-FGTMMUONSA-N 2 1 330.476 1.873 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+]C2CCS(=O)CC2)[C@H](c2ccccc2)C1 ZINC000892553794 591070370 /nfs/dbraw/zinc/07/03/70/591070370.db2.gz RQXFMVWKQHNEDF-SZTYLXMGSA-N 2 1 349.544 1.866 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000893743639 591072602 /nfs/dbraw/zinc/07/26/02/591072602.db2.gz QRZZERNVBZFELF-HYVNUMGLSA-N 2 1 338.496 1.005 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892584141 591081613 /nfs/dbraw/zinc/08/16/13/591081613.db2.gz XYOHCMLTJAVULT-SAABIXHNSA-N 2 1 330.476 1.950 20 0 EDADMP COc1cccc([C@H](CNC(=O)NCC[N@H+]2CC[C@H](C)C2)[NH+](C)C)c1 ZINC000891539043 591113731 /nfs/dbraw/zinc/11/37/31/591113731.db2.gz JGPGEHVDUCKMMB-YJBOKZPZSA-N 2 1 348.491 1.939 20 0 EDADMP COc1cccc([C@H](CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)[NH+](C)C)c1 ZINC000891539363 591116275 /nfs/dbraw/zinc/11/62/75/591116275.db2.gz RUISJKWVGTYJKG-BPQIPLTHSA-N 2 1 346.475 1.643 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000891565642 591127823 /nfs/dbraw/zinc/12/78/23/591127823.db2.gz QUTNLHQLTRDALE-GVDBMIGSSA-N 2 1 340.512 1.646 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000891579860 591132830 /nfs/dbraw/zinc/13/28/30/591132830.db2.gz MUWQOHOTNVVENZ-MRXNPFEDSA-N 2 1 339.528 1.091 20 0 EDADMP CN(C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000892776452 591172108 /nfs/dbraw/zinc/17/21/08/591172108.db2.gz OBFCOTPPIRLKII-JKSUJKDBSA-N 2 1 336.480 1.023 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000894029074 591175204 /nfs/dbraw/zinc/17/52/04/591175204.db2.gz KOYZSRIRVXQXJM-KBAYOESNSA-N 2 1 330.476 1.852 20 0 EDADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000894029074 591175205 /nfs/dbraw/zinc/17/52/05/591175205.db2.gz KOYZSRIRVXQXJM-KBAYOESNSA-N 2 1 330.476 1.852 20 0 EDADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000894029074 591175206 /nfs/dbraw/zinc/17/52/06/591175206.db2.gz KOYZSRIRVXQXJM-KBAYOESNSA-N 2 1 330.476 1.852 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891685496 591184757 /nfs/dbraw/zinc/18/47/57/591184757.db2.gz MBUYMUOFOZYCIJ-MUQADHOPSA-N 2 1 336.480 1.214 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C[C@H](C)O1 ZINC000891698054 591189049 /nfs/dbraw/zinc/18/90/49/591189049.db2.gz AKUPYCBIFHHCCF-YHUYYLMFSA-N 2 1 338.496 1.077 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C[C@H](C)O1 ZINC000891698054 591189051 /nfs/dbraw/zinc/18/90/51/591189051.db2.gz AKUPYCBIFHHCCF-YHUYYLMFSA-N 2 1 338.496 1.077 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000891729305 591201731 /nfs/dbraw/zinc/20/17/31/591201731.db2.gz QUCBWOMUSKRGCD-IYBDPMFKSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000891729305 591201732 /nfs/dbraw/zinc/20/17/32/591201732.db2.gz QUCBWOMUSKRGCD-IYBDPMFKSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000891729305 591201734 /nfs/dbraw/zinc/20/17/34/591201734.db2.gz QUCBWOMUSKRGCD-IYBDPMFKSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1=CC[N@@H+](C)CC1 ZINC000891766853 591217342 /nfs/dbraw/zinc/21/73/42/591217342.db2.gz YEIUZLSRMRJTCB-HOCLYGCPSA-N 2 1 336.480 1.095 20 0 EDADMP COC(=O)c1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)[nH]c1C(C)C ZINC000894201320 591225873 /nfs/dbraw/zinc/22/58/73/591225873.db2.gz YPFXZMOPVKVPOU-UHFFFAOYSA-N 2 1 337.464 1.861 20 0 EDADMP O=C(NCc1ccc(N2CCCC2)nc1)C1CN([C@@H]2CCOC2)C1 ZINC000895629506 591235971 /nfs/dbraw/zinc/23/59/71/591235971.db2.gz VDOYLEWQQYTKSA-MRXNPFEDSA-N 2 1 330.432 1.019 20 0 EDADMP COC(=O)c1sccc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000892950752 591236873 /nfs/dbraw/zinc/23/68/73/591236873.db2.gz GRRWZNNUFDABCR-CQSZACIVSA-N 2 1 326.462 1.861 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000894232080 591238403 /nfs/dbraw/zinc/23/84/03/591238403.db2.gz BTGXNPJQJGPHCB-GDAAHCPNSA-N 2 1 342.487 1.710 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894232080 591238405 /nfs/dbraw/zinc/23/84/05/591238405.db2.gz BTGXNPJQJGPHCB-GDAAHCPNSA-N 2 1 342.487 1.710 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000894232080 591238406 /nfs/dbraw/zinc/23/84/06/591238406.db2.gz BTGXNPJQJGPHCB-GDAAHCPNSA-N 2 1 342.487 1.710 20 0 EDADMP COC(=O)c1cnc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000894261928 591254088 /nfs/dbraw/zinc/25/40/88/591254088.db2.gz WWIKFZOYFQXRRC-GFCCVEGCSA-N 2 1 327.450 1.256 20 0 EDADMP COC(=O)c1cnc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000894261928 591254089 /nfs/dbraw/zinc/25/40/89/591254089.db2.gz WWIKFZOYFQXRRC-GFCCVEGCSA-N 2 1 327.450 1.256 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894465815 591319794 /nfs/dbraw/zinc/31/97/94/591319794.db2.gz QLUFOCTTYSBFRZ-CVEARBPZSA-N 2 1 329.460 1.189 20 0 EDADMP COC(=O)c1cc(C)c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)o1 ZINC000896324737 591419575 /nfs/dbraw/zinc/41/95/75/591419575.db2.gz JOJMPDGQBFYORS-CYBMUJFWSA-N 2 1 349.431 1.273 20 0 EDADMP CC1(C)CC[N@H+](CCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000898597177 591430058 /nfs/dbraw/zinc/43/00/58/591430058.db2.gz DNTSMXPZICSVBP-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP CC1(C)CC[N@@H+](CCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000898597177 591430061 /nfs/dbraw/zinc/43/00/61/591430061.db2.gz DNTSMXPZICSVBP-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NCC[NH+]2CC[C@@H](C)C2)C[C@@H]1C ZINC000897464055 591465946 /nfs/dbraw/zinc/46/59/46/591465946.db2.gz JXIMCUHTLVCGKY-OAGGEKHMSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)C[C@@H]1C ZINC000897464055 591465948 /nfs/dbraw/zinc/46/59/48/591465948.db2.gz JXIMCUHTLVCGKY-OAGGEKHMSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NCC[N@H+]2CC[C@@H](C)C2)C[C@@H]1C ZINC000897464055 591465949 /nfs/dbraw/zinc/46/59/49/591465949.db2.gz JXIMCUHTLVCGKY-OAGGEKHMSA-N 2 1 326.485 1.079 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc(N2CCCC2)[nH+]1 ZINC000894948705 591495071 /nfs/dbraw/zinc/49/50/71/591495071.db2.gz XMOOLWOKUQPTGH-DLBZAZTESA-N 2 1 343.475 1.836 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc(N2CCCC2)[nH+]1 ZINC000894948705 591495074 /nfs/dbraw/zinc/49/50/74/591495074.db2.gz XMOOLWOKUQPTGH-DLBZAZTESA-N 2 1 343.475 1.836 20 0 EDADMP CN1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@@H+](C)CC1 ZINC000895049918 591545136 /nfs/dbraw/zinc/54/51/36/591545136.db2.gz GXTUXCQVDJOJBI-UHFFFAOYSA-N 2 1 339.528 1.141 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000898992039 591623873 /nfs/dbraw/zinc/62/38/73/591623873.db2.gz SQEIBTBOVSWDDD-XHSDSOJGSA-N 2 1 328.501 1.059 20 0 EDADMP COC(=O)c1cnc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000896930064 591686928 /nfs/dbraw/zinc/68/69/28/591686928.db2.gz KPOOZCIRODHHKZ-CYBMUJFWSA-N 2 1 339.461 1.315 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000897099841 591739297 /nfs/dbraw/zinc/73/92/97/591739297.db2.gz UGZJEIMZCQVSOO-KSZLIROESA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000897099841 591739298 /nfs/dbraw/zinc/73/92/98/591739298.db2.gz UGZJEIMZCQVSOO-KSZLIROESA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000897099841 591739299 /nfs/dbraw/zinc/73/92/99/591739299.db2.gz UGZJEIMZCQVSOO-KSZLIROESA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@@]34CC[N@@H+](C3)CCC4)nc2)C1 ZINC000897103758 591740978 /nfs/dbraw/zinc/74/09/78/591740978.db2.gz LDJSBFKMCMDTAW-APWZRJJASA-N 2 1 343.475 1.646 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCOC34CCCC4)cn2)CC1 ZINC000898110494 591785517 /nfs/dbraw/zinc/78/55/17/591785517.db2.gz FCYKGYIIKSMYEE-MRXNPFEDSA-N 2 1 331.464 1.420 20 0 EDADMP Cn1cc(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1 ZINC000899460214 591812403 /nfs/dbraw/zinc/81/24/03/591812403.db2.gz PZXWJCDKPOYLQT-UHFFFAOYSA-N 2 1 331.449 1.376 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000900087615 591895692 /nfs/dbraw/zinc/89/56/92/591895692.db2.gz PFUFGPWKGWNOAG-UHFFFAOYSA-N 2 1 346.519 1.781 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900214854 591945160 /nfs/dbraw/zinc/94/51/60/591945160.db2.gz IJXBRBANLTXLOD-ZIFCJYIRSA-N 2 1 339.524 1.708 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900214854 591945162 /nfs/dbraw/zinc/94/51/62/591945162.db2.gz IJXBRBANLTXLOD-ZIFCJYIRSA-N 2 1 339.524 1.708 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900214854 591945164 /nfs/dbraw/zinc/94/51/64/591945164.db2.gz IJXBRBANLTXLOD-ZIFCJYIRSA-N 2 1 339.524 1.708 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cn1 ZINC000900292982 591976124 /nfs/dbraw/zinc/97/61/24/591976124.db2.gz QRIZPEFVVOSPPY-GOSISDBHSA-N 2 1 343.431 1.039 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)cn1 ZINC000900292982 591976127 /nfs/dbraw/zinc/97/61/27/591976127.db2.gz QRIZPEFVVOSPPY-GOSISDBHSA-N 2 1 343.431 1.039 20 0 EDADMP COc1cn(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(C)cc1=O ZINC000902370568 591981030 /nfs/dbraw/zinc/98/10/30/591981030.db2.gz LHHMLPYHVSPJTN-HNNXBMFYSA-N 2 1 328.416 1.729 20 0 EDADMP O=C(NCc1ccccc1)c1cc(N2CC[NH2+]CC[NH2+]CC2)ccn1 ZINC000900369479 591998852 /nfs/dbraw/zinc/99/88/52/591998852.db2.gz KACUBYDNRXMABO-UHFFFAOYSA-N 2 1 339.443 1.011 20 0 EDADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000902501063 592003182 /nfs/dbraw/zinc/00/31/82/592003182.db2.gz HRRRFWVWSPJZOH-FRYIKTPZSA-N 2 1 343.471 1.599 20 0 EDADMP C[N@@H+](CCON=C(N)[C@H]1C[NH+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000902806391 592063024 /nfs/dbraw/zinc/06/30/24/592063024.db2.gz RZFIOOQTGAEKMR-DLBZAZTESA-N 2 1 332.448 1.480 20 0 EDADMP C[NH+](CCON=C(N)[C@H]1C[N@@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000902806391 592063027 /nfs/dbraw/zinc/06/30/27/592063027.db2.gz RZFIOOQTGAEKMR-DLBZAZTESA-N 2 1 332.448 1.480 20 0 EDADMP C[NH+](CCON=C(N)[C@H]1C[N@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000902806391 592063030 /nfs/dbraw/zinc/06/30/30/592063030.db2.gz RZFIOOQTGAEKMR-DLBZAZTESA-N 2 1 332.448 1.480 20 0 EDADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cnn(CC2CCC2)c1 ZINC000903091082 592118584 /nfs/dbraw/zinc/11/85/84/592118584.db2.gz NBUVFCQNSXNGMX-NVXWUHKLSA-N 2 1 347.507 1.921 20 0 EDADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cnn(CC2CCC2)c1 ZINC000903091082 592118585 /nfs/dbraw/zinc/11/85/85/592118585.db2.gz NBUVFCQNSXNGMX-NVXWUHKLSA-N 2 1 347.507 1.921 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C[C@@H]1C(F)(F)F ZINC000903093766 592122184 /nfs/dbraw/zinc/12/21/84/592122184.db2.gz UOSFIMJXMFGFIY-RVMXOQNASA-N 2 1 340.386 1.409 20 0 EDADMP CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903131869 592124008 /nfs/dbraw/zinc/12/40/08/592124008.db2.gz XGZXWYNEVBCKJO-FZKCQIBNSA-N 2 1 333.480 1.838 20 0 EDADMP O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000903237705 592141992 /nfs/dbraw/zinc/14/19/92/592141992.db2.gz NNKXVMYDECQVFV-VXGBXAGGSA-N 2 1 346.353 1.228 20 0 EDADMP O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903237705 592141994 /nfs/dbraw/zinc/14/19/94/592141994.db2.gz NNKXVMYDECQVFV-VXGBXAGGSA-N 2 1 346.353 1.228 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000900887397 592157282 /nfs/dbraw/zinc/15/72/82/592157282.db2.gz UBPWEUZMWIRVKQ-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000900887397 592157285 /nfs/dbraw/zinc/15/72/85/592157285.db2.gz UBPWEUZMWIRVKQ-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCCO[C@@H]2CCCC[C@H]2C)C[C@H]1CC[NH3+] ZINC000903496939 592188259 /nfs/dbraw/zinc/18/82/59/592188259.db2.gz KTJUXNNPYVDJKE-QBPKDAKJSA-N 2 1 325.497 1.615 20 0 EDADMP NC(=O)[C@@H](c1ccc(F)cc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903508494 592189468 /nfs/dbraw/zinc/18/94/68/592189468.db2.gz IUMSEGVHGVEDGF-FGTMMUONSA-N 2 1 346.450 1.253 20 0 EDADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccnn1CC[NH+](C)C ZINC000900982977 592189630 /nfs/dbraw/zinc/18/96/30/592189630.db2.gz GWVWTCGGSWZHJK-JKSUJKDBSA-N 2 1 333.480 1.534 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)c2ccccc2O1 ZINC000901059254 592219363 /nfs/dbraw/zinc/21/93/63/592219363.db2.gz ALDGDKJZPMXWTP-HZPDHXFCSA-N 2 1 345.443 1.063 20 0 EDADMP CN(C(=O)C[C@@]1(O)CCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901074272 592224005 /nfs/dbraw/zinc/22/40/05/592224005.db2.gz FHOXEXDMJUAWFD-QUCCMNQESA-N 2 1 345.487 1.566 20 0 EDADMP CN(C(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000901074272 592224006 /nfs/dbraw/zinc/22/40/06/592224006.db2.gz FHOXEXDMJUAWFD-QUCCMNQESA-N 2 1 345.487 1.566 20 0 EDADMP CN(C(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000901074272 592224007 /nfs/dbraw/zinc/22/40/07/592224007.db2.gz FHOXEXDMJUAWFD-QUCCMNQESA-N 2 1 345.487 1.566 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906652497 592235745 /nfs/dbraw/zinc/23/57/45/592235745.db2.gz ZEVFAABGSOBUJP-UHFFFAOYSA-N 2 1 334.464 1.667 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416933 592252795 /nfs/dbraw/zinc/25/27/95/592252795.db2.gz UJESUHNUMOWFKH-FUHWJXTLSA-N 2 1 346.523 1.804 20 0 EDADMP C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904433953 592255784 /nfs/dbraw/zinc/25/57/84/592255784.db2.gz RKLMKUNVDGQRJC-GFCCVEGCSA-N 2 1 349.460 1.427 20 0 EDADMP C[N@H+](Cc1nc(-c2cccs2)no1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904433953 592255787 /nfs/dbraw/zinc/25/57/87/592255787.db2.gz RKLMKUNVDGQRJC-GFCCVEGCSA-N 2 1 349.460 1.427 20 0 EDADMP Fc1cccc2c1OCC[C@H]2[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000904445960 592263050 /nfs/dbraw/zinc/26/30/50/592263050.db2.gz VRZWEZCTXYDPKY-MLGOLLRUSA-N 2 1 331.395 1.955 20 0 EDADMP CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901189211 592270234 /nfs/dbraw/zinc/27/02/34/592270234.db2.gz XFKOWUPCVQZMIJ-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901189211 592270237 /nfs/dbraw/zinc/27/02/37/592270237.db2.gz XFKOWUPCVQZMIJ-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901189211 592270239 /nfs/dbraw/zinc/27/02/39/592270239.db2.gz XFKOWUPCVQZMIJ-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000901161827 592272179 /nfs/dbraw/zinc/27/21/79/592272179.db2.gz ILNXYMMTGWUOJS-PNKHAZJDSA-N 2 1 335.492 1.713 20 0 EDADMP [NH3+]CCOc1cccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000904501416 592272550 /nfs/dbraw/zinc/27/25/50/592272550.db2.gz YVKMEBVGASPCQV-IRXDYDNUSA-N 2 1 348.447 1.087 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904516338 592275765 /nfs/dbraw/zinc/27/57/65/592275765.db2.gz YGQAXIRDNWBGSC-SJORKVTESA-N 2 1 330.432 1.353 20 0 EDADMP O=C(c1ccccc1)N1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723050 592284192 /nfs/dbraw/zinc/28/41/92/592284192.db2.gz SPGVLPMZHIIACB-AZUAARDMSA-N 2 1 343.471 1.603 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CCCC1 ZINC000903728444 592285878 /nfs/dbraw/zinc/28/58/78/592285878.db2.gz BMHZNLHAVMMPSQ-IAGOWNOFSA-N 2 1 335.492 1.480 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000904578664 592285968 /nfs/dbraw/zinc/28/59/68/592285968.db2.gz ZHWWCSPCIJDQHD-HOTGVXAUSA-N 2 1 332.448 1.865 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903713522 592291443 /nfs/dbraw/zinc/29/14/43/592291443.db2.gz ULTPLJBIGOLKIM-FRRDWIJNSA-N 2 1 337.386 1.273 20 0 EDADMP Cc1noc(C)c1CN1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903738187 592300111 /nfs/dbraw/zinc/30/01/11/592300111.db2.gz YZHBDHWUNKXUTK-WMZOPIPTSA-N 2 1 334.464 1.178 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000903740839 592302633 /nfs/dbraw/zinc/30/26/33/592302633.db2.gz ZSUYDPYAJZPDQW-SFHVURJKSA-N 3 1 336.524 1.252 20 0 EDADMP Cc1cn(C)nc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000903770228 592311027 /nfs/dbraw/zinc/31/10/27/592311027.db2.gz UHFZHEALRVVTMZ-HNNXBMFYSA-N 2 1 343.479 1.241 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCO[C@H](c3ccc(F)cc3)C1)C2 ZINC000903844986 592343546 /nfs/dbraw/zinc/34/35/46/592343546.db2.gz DPJJPAAAYNGEJA-MGHWNKPDSA-N 2 1 347.434 1.537 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCO[C@H](c3ccc(F)cc3)C1)C2 ZINC000903844986 592343551 /nfs/dbraw/zinc/34/35/51/592343551.db2.gz DPJJPAAAYNGEJA-MGHWNKPDSA-N 2 1 347.434 1.537 20 0 EDADMP OCC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000903891967 592352894 /nfs/dbraw/zinc/35/28/94/592352894.db2.gz FAUKRWJESUQMMJ-APWZRJJASA-N 2 1 341.459 1.684 20 0 EDADMP OCC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000903891967 592352899 /nfs/dbraw/zinc/35/28/99/592352899.db2.gz FAUKRWJESUQMMJ-APWZRJJASA-N 2 1 341.459 1.684 20 0 EDADMP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903893648 592366604 /nfs/dbraw/zinc/36/66/04/592366604.db2.gz XYAQWJDCLCYAQJ-GOEBONIOSA-N 2 1 329.448 1.971 20 0 EDADMP CC(=O)N(C[C@H]1CCC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903915451 592370593 /nfs/dbraw/zinc/37/05/93/592370593.db2.gz YSDFXFYRMRJLSP-VQIMIIECSA-N 2 1 347.507 1.321 20 0 EDADMP COc1cccc2c1CC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903901977 592370823 /nfs/dbraw/zinc/37/08/23/592370823.db2.gz CEPZHLSPRMMCHU-HNNXBMFYSA-N 2 1 328.460 1.913 20 0 EDADMP COc1cccc2c1CC[N@@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903901977 592370829 /nfs/dbraw/zinc/37/08/29/592370829.db2.gz CEPZHLSPRMMCHU-HNNXBMFYSA-N 2 1 328.460 1.913 20 0 EDADMP COc1c(C)c[nH+]c(CN(C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)c1C ZINC000903906094 592372585 /nfs/dbraw/zinc/37/25/85/592372585.db2.gz RNRGGTJAHHEOFS-MRXNPFEDSA-N 2 1 345.491 1.998 20 0 EDADMP COc1c(C)cnc(C[N@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)c1C ZINC000903906094 592372591 /nfs/dbraw/zinc/37/25/91/592372591.db2.gz RNRGGTJAHHEOFS-MRXNPFEDSA-N 2 1 345.491 1.998 20 0 EDADMP COc1c(C)cnc(C[N@@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)c1C ZINC000903906094 592372597 /nfs/dbraw/zinc/37/25/97/592372597.db2.gz RNRGGTJAHHEOFS-MRXNPFEDSA-N 2 1 345.491 1.998 20 0 EDADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)C3(O)CCC3)cc2)CC1 ZINC000905049747 592379520 /nfs/dbraw/zinc/37/95/20/592379520.db2.gz PVPANJLZFYFHDO-LJQANCHMSA-N 2 1 347.503 1.190 20 0 EDADMP C[NH+](C)C[C@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000908203444 592381054 /nfs/dbraw/zinc/38/10/54/592381054.db2.gz DBHGQNDSULAVHK-WMZOPIPTSA-N 2 1 337.439 1.391 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](Cc2cnn(C)c2)CC(C)C)cnn1C ZINC000903929945 592382683 /nfs/dbraw/zinc/38/26/83/592382683.db2.gz ORJJHDLWNQCNJI-MRXNPFEDSA-N 2 1 332.496 1.738 20 0 EDADMP Cc1c(C[C@H](C[NH3+])CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cnn1C ZINC000903930090 592382958 /nfs/dbraw/zinc/38/29/58/592382958.db2.gz SBJXXCWJDAWNOE-ATZDWAIDSA-N 2 1 349.523 1.064 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000903931453 592383666 /nfs/dbraw/zinc/38/36/66/592383666.db2.gz FBTXLJRAGATSPM-YJBOKZPZSA-N 2 1 327.432 1.856 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000903931453 592383672 /nfs/dbraw/zinc/38/36/72/592383672.db2.gz FBTXLJRAGATSPM-YJBOKZPZSA-N 2 1 327.432 1.856 20 0 EDADMP COc1nc(C)cc(C)c1C[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903933078 592385118 /nfs/dbraw/zinc/38/51/18/592385118.db2.gz KOAMEECFKVVDNE-MRXNPFEDSA-N 2 1 345.491 1.998 20 0 EDADMP COc1nc(C)cc(C)c1C[N@@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903933078 592385121 /nfs/dbraw/zinc/38/51/21/592385121.db2.gz KOAMEECFKVVDNE-MRXNPFEDSA-N 2 1 345.491 1.998 20 0 EDADMP Fc1cccn2cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)nc12 ZINC000903980309 592400096 /nfs/dbraw/zinc/40/00/96/592400096.db2.gz OOQYBRNRCBHPLZ-CALCHBBNSA-N 2 1 343.450 1.874 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@H](O)CC3(O)CCCC3)CC2)nc(C)[nH+]1 ZINC000905152926 592423177 /nfs/dbraw/zinc/42/31/77/592423177.db2.gz DJRLUWCPTYBQHJ-QGZVFWFLSA-N 2 1 348.491 1.708 20 0 EDADMP CCC(CC)Nc1cc[nH+]cc1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000908330549 592447280 /nfs/dbraw/zinc/44/72/80/592447280.db2.gz RULHAUQVWSUZEK-UHFFFAOYSA-N 2 1 333.480 1.536 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)CC1(C)C ZINC000905245399 592475497 /nfs/dbraw/zinc/47/54/97/592475497.db2.gz DAGYVOOCUCGONP-MOPGFXCFSA-N 2 1 349.519 1.477 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)C3(O)CCCC3)C2)[C@@H]1C(C)C ZINC000905502554 592545961 /nfs/dbraw/zinc/54/59/61/592545961.db2.gz KQMJBDIDJZEYMI-DZVNLGKHSA-N 2 1 340.508 1.112 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC1(O)CCCC1)C2 ZINC000905496380 592553461 /nfs/dbraw/zinc/55/34/61/592553461.db2.gz SCZFICBYKOLDTC-OBVSXPTNSA-N 2 1 340.508 1.112 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCOCC2)C1CC1 ZINC000905536366 592554961 /nfs/dbraw/zinc/55/49/61/592554961.db2.gz IKMPSEJYALFONF-BRWVUGGUSA-N 2 1 340.508 1.784 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCOCC2)C1CC1 ZINC000905536366 592554964 /nfs/dbraw/zinc/55/49/64/592554964.db2.gz IKMPSEJYALFONF-BRWVUGGUSA-N 2 1 340.508 1.784 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000907282236 592582611 /nfs/dbraw/zinc/58/26/11/592582611.db2.gz NNLPQKGADFVWOB-GDBMZVCRSA-N 2 1 337.464 1.028 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000907282236 592582613 /nfs/dbraw/zinc/58/26/13/592582613.db2.gz NNLPQKGADFVWOB-GDBMZVCRSA-N 2 1 337.464 1.028 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000907282236 592582615 /nfs/dbraw/zinc/58/26/15/592582615.db2.gz NNLPQKGADFVWOB-GDBMZVCRSA-N 2 1 337.464 1.028 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000907282236 592582616 /nfs/dbraw/zinc/58/26/16/592582616.db2.gz NNLPQKGADFVWOB-GDBMZVCRSA-N 2 1 337.464 1.028 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000905692841 592624126 /nfs/dbraw/zinc/62/41/26/592624126.db2.gz XZFZSKBZWBJDPW-GFEQUFNTSA-N 2 1 346.471 1.657 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000905692841 592624130 /nfs/dbraw/zinc/62/41/30/592624130.db2.gz XZFZSKBZWBJDPW-GFEQUFNTSA-N 2 1 346.471 1.657 20 0 EDADMP CC(C)[NH2+]Cc1cn(Cc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000905812598 592643428 /nfs/dbraw/zinc/64/34/28/592643428.db2.gz IFBQDWIEUMOQQL-UHFFFAOYSA-N 2 1 329.448 1.657 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H](O)C[C@@]3(O)CCOC3)C2)c1 ZINC000905925561 592684506 /nfs/dbraw/zinc/68/45/06/592684506.db2.gz UMUPULWQTSCBST-BQFCYCMXSA-N 2 1 335.448 1.026 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H](O)C[C@@]3(O)CCOC3)C2)c1 ZINC000905925561 592684509 /nfs/dbraw/zinc/68/45/09/592684509.db2.gz UMUPULWQTSCBST-BQFCYCMXSA-N 2 1 335.448 1.026 20 0 EDADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905911456 592691778 /nfs/dbraw/zinc/69/17/78/592691778.db2.gz TYWXUZXBUNQRJX-WOJBJXKFSA-N 2 1 348.487 1.451 20 0 EDADMP O=C([C@@H]1CCc2nccn2C1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910777675 592893595 /nfs/dbraw/zinc/89/35/95/592893595.db2.gz MGSSWIWJAMLAEJ-QGZVFWFLSA-N 2 1 336.439 1.932 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C)[NH+]1CCN(C)CC1 ZINC000911891820 593031699 /nfs/dbraw/zinc/03/16/99/593031699.db2.gz NOFKRADUCSGTPI-SJORKVTESA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000911891820 593031700 /nfs/dbraw/zinc/03/17/00/593031700.db2.gz NOFKRADUCSGTPI-SJORKVTESA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000911891820 593031702 /nfs/dbraw/zinc/03/17/02/593031702.db2.gz NOFKRADUCSGTPI-SJORKVTESA-N 2 1 339.528 1.042 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2C)c1 ZINC000911928550 593034805 /nfs/dbraw/zinc/03/48/05/593034805.db2.gz CAGRYNJCXIGFMW-KRWDZBQOSA-N 2 1 348.491 1.911 20 0 EDADMP COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000912303171 593083693 /nfs/dbraw/zinc/08/36/93/593083693.db2.gz IQXLMPPEBKEHLN-HRCADAONSA-N 2 1 341.496 1.354 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000912508067 593101267 /nfs/dbraw/zinc/10/12/67/593101267.db2.gz RQMVITVDYPNVIW-OAHLLOKOSA-N 2 1 333.480 1.582 20 0 EDADMP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000838853117 593225629 /nfs/dbraw/zinc/22/56/29/593225629.db2.gz IVLBDEUHCUAWMO-SJORKVTESA-N 2 1 339.524 1.924 20 0 EDADMP COc1nc(C)cc(C)c1CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000808264127 593246001 /nfs/dbraw/zinc/24/60/01/593246001.db2.gz PVYWJWSSPVHCTO-HNNXBMFYSA-N 2 1 336.436 1.815 20 0 EDADMP COc1nc(C)cc(C)c1CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000808264127 593246002 /nfs/dbraw/zinc/24/60/02/593246002.db2.gz PVYWJWSSPVHCTO-HNNXBMFYSA-N 2 1 336.436 1.815 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810356430 593394916 /nfs/dbraw/zinc/39/49/16/593394916.db2.gz KWVSCQSEYCOTFE-YOEHRIQHSA-N 2 1 329.460 1.426 20 0 EDADMP Cn1cc[nH+]c1N1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810423447 593400881 /nfs/dbraw/zinc/40/08/81/593400881.db2.gz WKDQORGKIAGIGP-KRWDZBQOSA-N 2 1 337.443 1.281 20 0 EDADMP Cn1cc[nH+]c1N1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810423447 593400883 /nfs/dbraw/zinc/40/08/83/593400883.db2.gz WKDQORGKIAGIGP-KRWDZBQOSA-N 2 1 337.443 1.281 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C(=O)[C@@]4(CCCO4)[C@@H]3C3CC3)C2)CC1 ZINC000840037491 593402312 /nfs/dbraw/zinc/40/23/12/593402312.db2.gz QIGFYTPZEAYNLC-WSTZPKSXSA-N 2 1 347.503 1.778 20 0 EDADMP CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000816635599 593536645 /nfs/dbraw/zinc/53/66/45/593536645.db2.gz QUCILCFNYKEINO-QGZVFWFLSA-N 2 1 338.423 1.960 20 0 EDADMP O=C(CNc1nc(N2CCCC2)cc[nH+]1)NCC[NH+]1CCCCCC1 ZINC000814261514 593580448 /nfs/dbraw/zinc/58/04/48/593580448.db2.gz BAEIJSHFFNIWRE-UHFFFAOYSA-N 2 1 346.479 1.481 20 0 EDADMP Cn1cc(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(Cl)n1 ZINC000814619416 593598380 /nfs/dbraw/zinc/59/83/80/593598380.db2.gz ZLBLMMDEUKYMRX-UHFFFAOYSA-N 2 1 348.838 1.402 20 0 EDADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818986139 593732496 /nfs/dbraw/zinc/73/24/96/593732496.db2.gz GVYKSHGVPFMXFE-CABCVRRESA-N 2 1 335.423 1.916 20 0 EDADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818986139 593732497 /nfs/dbraw/zinc/73/24/97/593732497.db2.gz GVYKSHGVPFMXFE-CABCVRRESA-N 2 1 335.423 1.916 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000820808609 593895109 /nfs/dbraw/zinc/89/51/09/593895109.db2.gz KAJAZGGJHQRKSS-UHFFFAOYSA-N 2 1 347.503 1.848 20 0 EDADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821159273 593978606 /nfs/dbraw/zinc/97/86/06/593978606.db2.gz ABPUPEDGPIFDHU-XJKSGUPXSA-N 2 1 330.436 1.174 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821159273 593978607 /nfs/dbraw/zinc/97/86/07/593978607.db2.gz ABPUPEDGPIFDHU-XJKSGUPXSA-N 2 1 330.436 1.174 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821159273 593978608 /nfs/dbraw/zinc/97/86/08/593978608.db2.gz ABPUPEDGPIFDHU-XJKSGUPXSA-N 2 1 330.436 1.174 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821159273 593978609 /nfs/dbraw/zinc/97/86/09/593978609.db2.gz ABPUPEDGPIFDHU-XJKSGUPXSA-N 2 1 330.436 1.174 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821188749 593986289 /nfs/dbraw/zinc/98/62/89/593986289.db2.gz CGLARAKDYGLDLS-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821188749 593986291 /nfs/dbraw/zinc/98/62/91/593986291.db2.gz CGLARAKDYGLDLS-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)ccc1=O ZINC000821318468 594014858 /nfs/dbraw/zinc/01/48/58/594014858.db2.gz ADGORZXLBWAXOA-INIZCTEOSA-N 2 1 332.448 1.365 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)C1 ZINC000823094329 594152418 /nfs/dbraw/zinc/15/24/18/594152418.db2.gz OQWZCMPIBQGEEL-TZMCWYRMSA-N 2 1 335.452 1.225 20 0 EDADMP Cc1ccccc1CN1CCO[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000825369560 594174388 /nfs/dbraw/zinc/17/43/88/594174388.db2.gz XLLIFLXLIFABMD-HKUYNNGSSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000825369560 594174391 /nfs/dbraw/zinc/17/43/91/594174391.db2.gz XLLIFLXLIFABMD-HKUYNNGSSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000825369560 594174392 /nfs/dbraw/zinc/17/43/92/594174392.db2.gz XLLIFLXLIFABMD-HKUYNNGSSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000825369560 594174394 /nfs/dbraw/zinc/17/43/94/594174394.db2.gz XLLIFLXLIFABMD-HKUYNNGSSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000825369560 594174397 /nfs/dbraw/zinc/17/43/97/594174397.db2.gz XLLIFLXLIFABMD-HKUYNNGSSA-N 2 1 345.487 1.654 20 0 EDADMP C[NH+](C)CCONC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000823254991 594176168 /nfs/dbraw/zinc/17/61/68/594176168.db2.gz JWNZHXPRYROTKN-PKOBYXMFSA-N 2 1 347.459 1.135 20 0 EDADMP C[NH+](C)CCONC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000823254991 594176169 /nfs/dbraw/zinc/17/61/69/594176169.db2.gz JWNZHXPRYROTKN-PKOBYXMFSA-N 2 1 347.459 1.135 20 0 EDADMP CN(C(=O)/C=C/C1(C)CCOCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000823266694 594178081 /nfs/dbraw/zinc/17/80/81/594178081.db2.gz CWVXPZDFZQTPPV-PYJQOMOHSA-N 2 1 349.519 1.986 20 0 EDADMP CN(C(=O)/C=C/C1(C)CCOCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000823266694 594178082 /nfs/dbraw/zinc/17/80/82/594178082.db2.gz CWVXPZDFZQTPPV-PYJQOMOHSA-N 2 1 349.519 1.986 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)cc1 ZINC000828314522 594389482 /nfs/dbraw/zinc/38/94/82/594389482.db2.gz JLXVDPIFTUHLDP-SFHVURJKSA-N 2 1 345.487 1.796 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCNC(=O)OC(C)(C)C)CCO2 ZINC000830652407 594447968 /nfs/dbraw/zinc/44/79/68/594447968.db2.gz OHAGMJGJWGFAQN-UHFFFAOYSA-N 2 1 327.469 1.698 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)N1CC[NH+](C)CC1 ZINC000826667332 594550286 /nfs/dbraw/zinc/55/02/86/594550286.db2.gz LTLIDPPHIJAPPW-SJLPKXTDSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)N1CC[NH+](C)CC1 ZINC000826667332 594550289 /nfs/dbraw/zinc/55/02/89/594550289.db2.gz LTLIDPPHIJAPPW-SJLPKXTDSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000831217529 594583976 /nfs/dbraw/zinc/58/39/76/594583976.db2.gz ABXWKNWFUVLPOW-TXPKVOOTSA-N 2 1 348.491 1.391 20 0 EDADMP CC[C@@H](C[C@H](C)O)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000831311437 594605245 /nfs/dbraw/zinc/60/52/45/594605245.db2.gz OMMSJRLMGNHDSX-RDJZCZTQSA-N 2 1 339.524 1.848 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570967 594684079 /nfs/dbraw/zinc/68/40/79/594684079.db2.gz JOBLFHFMCDHNPO-HZSPNIEDSA-N 2 1 333.398 1.813 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570967 594684080 /nfs/dbraw/zinc/68/40/80/594684080.db2.gz JOBLFHFMCDHNPO-HZSPNIEDSA-N 2 1 333.398 1.813 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570967 594684081 /nfs/dbraw/zinc/68/40/81/594684081.db2.gz JOBLFHFMCDHNPO-HZSPNIEDSA-N 2 1 333.398 1.813 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cn1 ZINC000831817985 594705132 /nfs/dbraw/zinc/70/51/32/594705132.db2.gz HLZYSLKGHHLTCR-GFCCVEGCSA-N 2 1 337.387 1.628 20 0 EDADMP CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000833141747 594800951 /nfs/dbraw/zinc/80/09/51/594800951.db2.gz GASIAWWXDONAKS-JKIFEVAISA-N 2 1 327.444 1.130 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cccc2c1CC[NH2+]C2 ZINC000841304742 594883014 /nfs/dbraw/zinc/88/30/14/594883014.db2.gz DSMKDHDGDZTCOX-GJZGRUSLSA-N 2 1 330.432 1.317 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000841727839 594944550 /nfs/dbraw/zinc/94/45/50/594944550.db2.gz XYNFCPBIMMKKIE-UHFFFAOYSA-N 2 1 342.447 1.765 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000841876627 594971915 /nfs/dbraw/zinc/97/19/15/594971915.db2.gz VIXIHICVFISPIX-DZOHQFGASA-N 2 1 330.476 1.934 20 0 EDADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCCCCCC[NH+](C)C ZINC000842177757 595029429 /nfs/dbraw/zinc/02/94/29/595029429.db2.gz JDQDQSNMZGBDHI-IRXDYDNUSA-N 2 1 342.528 1.595 20 0 EDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)C1 ZINC000843349406 595083157 /nfs/dbraw/zinc/08/31/57/595083157.db2.gz YPLAJLKXXWMOCB-ZDUSSCGKSA-N 2 1 329.400 1.793 20 0 EDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)C1 ZINC000843349406 595083159 /nfs/dbraw/zinc/08/31/59/595083159.db2.gz YPLAJLKXXWMOCB-ZDUSSCGKSA-N 2 1 329.400 1.793 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000843061272 595276779 /nfs/dbraw/zinc/27/67/79/595276779.db2.gz DJLGUILQKJZRBY-HUUCEWRRSA-N 2 1 332.366 1.785 20 0 EDADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000843062670 595277513 /nfs/dbraw/zinc/27/75/13/595277513.db2.gz QZWYOHRTZACCOT-ZFWWWQNUSA-N 2 1 348.365 1.665 20 0 EDADMP C[C@]1(NC(=O)CC[NH+]2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000846591871 595280277 /nfs/dbraw/zinc/28/02/77/595280277.db2.gz HJFPHBUAAISAHW-IBGZPJMESA-N 2 1 331.460 1.490 20 0 EDADMP C[C@]1(NC(=O)CC[NH+]2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000846591871 595280278 /nfs/dbraw/zinc/28/02/78/595280278.db2.gz HJFPHBUAAISAHW-IBGZPJMESA-N 2 1 331.460 1.490 20 0 EDADMP [NH3+]CCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1 ZINC000844164555 595288558 /nfs/dbraw/zinc/28/85/58/595288558.db2.gz CYCSPMAJUDTCJL-LJQANCHMSA-N 2 1 338.455 1.864 20 0 EDADMP [NH3+]CCc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1 ZINC000844164555 595288560 /nfs/dbraw/zinc/28/85/60/595288560.db2.gz CYCSPMAJUDTCJL-LJQANCHMSA-N 2 1 338.455 1.864 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844170938 595290428 /nfs/dbraw/zinc/29/04/28/595290428.db2.gz UYKQUDKIUZJRIF-BBWFWOEESA-N 2 1 325.497 1.629 20 0 EDADMP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000844178445 595293713 /nfs/dbraw/zinc/29/37/13/595293713.db2.gz VJLJNPHKNRUKIE-OALUTQOASA-N 2 1 345.487 1.436 20 0 EDADMP C[C@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000844189704 595297380 /nfs/dbraw/zinc/29/73/80/595297380.db2.gz SJSBFGXHKYFBON-PKOBYXMFSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NOCCOC(C)C)CC2)CC1 ZINC000848108616 595320080 /nfs/dbraw/zinc/32/00/80/595320080.db2.gz RCOIVEOEHNXDEZ-UHFFFAOYSA-N 2 1 341.496 1.656 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NO[C@@H](CO)C(C)C)CC2)CC1 ZINC000848197250 595338605 /nfs/dbraw/zinc/33/86/05/595338605.db2.gz WRTIXPPDAXEVIP-KRWDZBQOSA-N 2 1 341.496 1.247 20 0 EDADMP C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000844411761 595339747 /nfs/dbraw/zinc/33/97/47/595339747.db2.gz WQNGTGLQQZDJEF-HYVNUMGLSA-N 2 1 348.491 1.904 20 0 EDADMP C[NH+]1CCC(NC(=S)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000844590123 595362381 /nfs/dbraw/zinc/36/23/81/595362381.db2.gz SRMLYRPAMOSEOO-GOSISDBHSA-N 2 1 346.544 1.814 20 0 EDADMP C[NH+]1CCC(NC(=S)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000844590123 595362384 /nfs/dbraw/zinc/36/23/84/595362384.db2.gz SRMLYRPAMOSEOO-GOSISDBHSA-N 2 1 346.544 1.814 20 0 EDADMP C[C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847178740 595372095 /nfs/dbraw/zinc/37/20/95/595372095.db2.gz SQZRJTBLUMCQML-ZXFNITATSA-N 2 1 343.487 1.813 20 0 EDADMP COCCCN(C)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844686082 595372553 /nfs/dbraw/zinc/37/25/53/595372553.db2.gz IBGRNLJWEFMFBY-OALUTQOASA-N 2 1 345.487 1.893 20 0 EDADMP COCCC[N@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844686082 595372555 /nfs/dbraw/zinc/37/25/55/595372555.db2.gz IBGRNLJWEFMFBY-OALUTQOASA-N 2 1 345.487 1.893 20 0 EDADMP COCCC[N@@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844686082 595372559 /nfs/dbraw/zinc/37/25/59/595372559.db2.gz IBGRNLJWEFMFBY-OALUTQOASA-N 2 1 345.487 1.893 20 0 EDADMP COCCC[NH+](C)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844686082 595372562 /nfs/dbraw/zinc/37/25/62/595372562.db2.gz IBGRNLJWEFMFBY-OALUTQOASA-N 2 1 345.487 1.893 20 0 EDADMP COCCC[NH+](C)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844686082 595372565 /nfs/dbraw/zinc/37/25/65/595372565.db2.gz IBGRNLJWEFMFBY-OALUTQOASA-N 2 1 345.487 1.893 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847294813 595389165 /nfs/dbraw/zinc/38/91/65/595389165.db2.gz FBGYPSMDWAGOHC-FZNQNYSPSA-N 2 1 342.447 1.715 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000847409293 595413722 /nfs/dbraw/zinc/41/37/22/595413722.db2.gz SCIUECLBYCIGDB-QZTJIDSGSA-N 2 1 331.460 1.384 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849063152 595476936 /nfs/dbraw/zinc/47/69/36/595476936.db2.gz ZJQHFWPXDPSQHI-CVEARBPZSA-N 2 1 326.485 1.418 20 0 EDADMP Cc1ccc(CNC(=[NH2+])NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000849072946 595478297 /nfs/dbraw/zinc/47/82/97/595478297.db2.gz SZESRQMNJCRWEF-MRXNPFEDSA-N 2 1 331.464 1.196 20 0 EDADMP C[C@H](CCO)C1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCC1 ZINC000849076481 595478635 /nfs/dbraw/zinc/47/86/35/595478635.db2.gz MUJXQHXGZAQGEE-OAHLLOKOSA-N 2 1 326.485 1.011 20 0 EDADMP C[C@H]1CN(C(=[NH2+])NCC2([NH+]3CCCCC3)CCN(C)CC2)CCO1 ZINC000849094675 595480735 /nfs/dbraw/zinc/48/07/35/595480735.db2.gz OTELWRHKYGQZGC-INIZCTEOSA-N 2 1 337.512 1.182 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCC(F)(F)C(F)F ZINC000849105518 595482667 /nfs/dbraw/zinc/48/26/67/595482667.db2.gz RPYVENJDIBPRSN-SNVBAGLBSA-N 2 1 328.354 1.502 20 0 EDADMP O=C1[C@H]([N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1C1CCOCC1 ZINC000852753446 595526560 /nfs/dbraw/zinc/52/65/60/595526560.db2.gz BEDGVIPMLKRUIC-FUHWJXTLSA-N 2 1 335.492 1.478 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCCNC(=O)OC(C)(C)C)CCO1 ZINC000852762405 595532685 /nfs/dbraw/zinc/53/26/85/595532685.db2.gz MPHKBOZYCZRBDL-OAHLLOKOSA-N 2 1 329.485 1.944 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCNC(=O)OC(C)(C)C)CCO1 ZINC000852762405 595532688 /nfs/dbraw/zinc/53/26/88/595532688.db2.gz MPHKBOZYCZRBDL-OAHLLOKOSA-N 2 1 329.485 1.944 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)cn1 ZINC000849500248 595551388 /nfs/dbraw/zinc/55/13/88/595551388.db2.gz OXIVCWNXCJHPRN-WNRNVDISSA-N 2 1 345.491 1.198 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000849500248 595551390 /nfs/dbraw/zinc/55/13/90/595551390.db2.gz OXIVCWNXCJHPRN-WNRNVDISSA-N 2 1 345.491 1.198 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cn1 ZINC000849500248 595551393 /nfs/dbraw/zinc/55/13/93/595551393.db2.gz OXIVCWNXCJHPRN-WNRNVDISSA-N 2 1 345.491 1.198 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2C)[C@@H](c2cnn(C)c2)C1 ZINC000849540941 595559241 /nfs/dbraw/zinc/55/92/41/595559241.db2.gz JWECRIAHAARKOT-FGTMMUONSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2C)[C@@H](c2cnn(C)c2)C1 ZINC000849540941 595559247 /nfs/dbraw/zinc/55/92/47/595559247.db2.gz JWECRIAHAARKOT-FGTMMUONSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2C)[C@@H](c2cnn(C)c2)C1 ZINC000849540941 595559251 /nfs/dbraw/zinc/55/92/51/595559251.db2.gz JWECRIAHAARKOT-FGTMMUONSA-N 2 1 347.507 1.444 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849567937 595572563 /nfs/dbraw/zinc/57/25/63/595572563.db2.gz KVEMXNDHPPPFCJ-YALNPMBYSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849567937 595572565 /nfs/dbraw/zinc/57/25/65/595572565.db2.gz KVEMXNDHPPPFCJ-YALNPMBYSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849567937 595572569 /nfs/dbraw/zinc/57/25/69/595572569.db2.gz KVEMXNDHPPPFCJ-YALNPMBYSA-N 2 1 333.480 1.006 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849582004 595581241 /nfs/dbraw/zinc/58/12/41/595581241.db2.gz KOIMCJVTTYGMQX-IAGOWNOFSA-N 2 1 335.496 1.256 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC2([NH+](C)C)CCC2)cn1 ZINC000849583480 595581959 /nfs/dbraw/zinc/58/19/59/595581959.db2.gz UFZRTUSNAHHILA-JKSUJKDBSA-N 2 1 333.480 1.056 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000852862074 595583171 /nfs/dbraw/zinc/58/31/71/595583171.db2.gz RVOQQEBSLJWXBP-INIZCTEOSA-N 2 1 342.487 1.598 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)[C@H]1c1cccs1 ZINC000852870626 595589993 /nfs/dbraw/zinc/58/99/93/595589993.db2.gz OLTPKRYZZVXOIJ-XUJVJEKNSA-N 2 1 336.461 1.351 20 0 EDADMP O=C(C=C1CC[NH2+]CC1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000852902091 595606852 /nfs/dbraw/zinc/60/68/52/595606852.db2.gz AIEBVPQCWHIRQB-GOSISDBHSA-N 2 1 329.444 1.179 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000853052582 595650609 /nfs/dbraw/zinc/65/06/09/595650609.db2.gz WYUFJYSHVMUFAT-HOTGVXAUSA-N 2 1 342.553 1.388 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@@H](O)c3ccccn3)CC2)nc(C)[nH+]1 ZINC000853103811 595665839 /nfs/dbraw/zinc/66/58/39/595665839.db2.gz ZHJFDIMGVAYVNT-QGZVFWFLSA-N 2 1 327.432 1.780 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(CNc3cc[nH+]c(CO)c3)cc2)CC1 ZINC000858351682 595772223 /nfs/dbraw/zinc/77/22/23/595772223.db2.gz NNLHWMKQRSWLIW-UHFFFAOYSA-N 2 1 340.427 1.574 20 0 EDADMP Cn1c(Cl)cnc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850357727 595816605 /nfs/dbraw/zinc/81/66/05/595816605.db2.gz SRGLFRZEVZCOAM-OAHLLOKOSA-N 2 1 334.851 1.930 20 0 EDADMP Cn1c(Cl)cnc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850357727 595816607 /nfs/dbraw/zinc/81/66/07/595816607.db2.gz SRGLFRZEVZCOAM-OAHLLOKOSA-N 2 1 334.851 1.930 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C(C)C ZINC000853638689 595842976 /nfs/dbraw/zinc/84/29/76/595842976.db2.gz CDGCAYFHZJTJIQ-MRXNPFEDSA-N 2 1 328.501 1.469 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC000851795516 595927109 /nfs/dbraw/zinc/92/71/09/595927109.db2.gz DGWBIOFJKHHVDN-VQIMIIECSA-N 2 1 331.460 1.023 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC000851795516 595927111 /nfs/dbraw/zinc/92/71/11/595927111.db2.gz DGWBIOFJKHHVDN-VQIMIIECSA-N 2 1 331.460 1.023 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC000851795516 595927113 /nfs/dbraw/zinc/92/71/13/595927113.db2.gz DGWBIOFJKHHVDN-VQIMIIECSA-N 2 1 331.460 1.023 20 0 EDADMP CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000861354040 595958829 /nfs/dbraw/zinc/95/88/29/595958829.db2.gz SAKUDRHQAJVNOY-IAOVAPTHSA-N 2 1 330.444 1.851 20 0 EDADMP CO[C@@H]1C[NH+](C)[C@@](C)(COC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000861354040 595958833 /nfs/dbraw/zinc/95/88/33/595958833.db2.gz SAKUDRHQAJVNOY-IAOVAPTHSA-N 2 1 330.444 1.851 20 0 EDADMP CO[C@@H]1C[NH+](C)[C@@](C)(COC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000861354040 595958837 /nfs/dbraw/zinc/95/88/37/595958837.db2.gz SAKUDRHQAJVNOY-IAOVAPTHSA-N 2 1 330.444 1.851 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@](O)(C(N)=O)c3ccccc3)C2)CC1 ZINC000852006800 596005141 /nfs/dbraw/zinc/00/51/41/596005141.db2.gz DOAZGOYCJBVQSB-IBGZPJMESA-N 2 1 331.460 1.167 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2(O)CCS(=O)(=O)CC2)cc1 ZINC000859213996 596007033 /nfs/dbraw/zinc/00/70/33/596007033.db2.gz FCZLHCIEAXGNSO-UHFFFAOYSA-N 2 1 340.489 1.120 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)N(C)C3CC3)C2)ccn1 ZINC000856585475 596022052 /nfs/dbraw/zinc/02/20/52/596022052.db2.gz GIIMHVXBRGJPHI-GOSISDBHSA-N 2 1 346.475 1.607 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)N(C)C3CC3)C2)ccn1 ZINC000856585475 596022058 /nfs/dbraw/zinc/02/20/58/596022058.db2.gz GIIMHVXBRGJPHI-GOSISDBHSA-N 2 1 346.475 1.607 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)ccn1 ZINC000856585475 596022063 /nfs/dbraw/zinc/02/20/63/596022063.db2.gz GIIMHVXBRGJPHI-GOSISDBHSA-N 2 1 346.475 1.607 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)ccn1 ZINC000856585475 596022067 /nfs/dbraw/zinc/02/20/67/596022067.db2.gz GIIMHVXBRGJPHI-GOSISDBHSA-N 2 1 346.475 1.607 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCn3ccnc3)C2)ccn1 ZINC000856585416 596022371 /nfs/dbraw/zinc/02/23/71/596022371.db2.gz DROIWYGLEYQFRK-GOSISDBHSA-N 2 1 329.448 1.883 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCn3ccnc3)C2)ccn1 ZINC000856585416 596022375 /nfs/dbraw/zinc/02/23/75/596022375.db2.gz DROIWYGLEYQFRK-GOSISDBHSA-N 2 1 329.448 1.883 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCn3ccnc3)C2)ccn1 ZINC000856585416 596022378 /nfs/dbraw/zinc/02/23/78/596022378.db2.gz DROIWYGLEYQFRK-GOSISDBHSA-N 2 1 329.448 1.883 20 0 EDADMP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1cn3cc(F)ccc3n1)C2 ZINC000868634377 596255263 /nfs/dbraw/zinc/25/52/63/596255263.db2.gz VCURPKZRLFVDLQ-SFHVURJKSA-N 2 1 330.407 1.960 20 0 EDADMP COC(=O)/C=C\c1ccc(OCC[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000866665987 596285354 /nfs/dbraw/zinc/28/53/54/596285354.db2.gz JVURABBHRBDZQJ-AFCDSYGPSA-N 2 1 334.416 1.301 20 0 EDADMP COC(=O)/C=C\c1ccc(OCC[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000866665987 596285359 /nfs/dbraw/zinc/28/53/59/596285359.db2.gz JVURABBHRBDZQJ-AFCDSYGPSA-N 2 1 334.416 1.301 20 0 EDADMP COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866709565 596302606 /nfs/dbraw/zinc/30/26/06/596302606.db2.gz SAWNVXMQXLSGKW-KSSFIOAISA-N 2 1 339.480 1.237 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710968 596304188 /nfs/dbraw/zinc/30/41/88/596304188.db2.gz YLVLQPGCEJFKNN-HHARLNAUSA-N 2 1 337.464 1.449 20 0 EDADMP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CC[NH+](C2CCC2)CC1 ZINC000870886896 596390222 /nfs/dbraw/zinc/39/02/22/596390222.db2.gz USFODXNFEYYMQQ-UHFFFAOYSA-N 2 1 334.489 1.920 20 0 EDADMP Cc1ccn(C[C@H](C)C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000864984250 596435743 /nfs/dbraw/zinc/43/57/43/596435743.db2.gz KQKXDNHMJCTTJP-AWEZNQCLSA-N 2 1 342.447 1.613 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC000871281146 596520772 /nfs/dbraw/zinc/52/07/72/596520772.db2.gz RHWIMOYLSSLYRO-GOSISDBHSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC000871281146 596520775 /nfs/dbraw/zinc/52/07/75/596520775.db2.gz RHWIMOYLSSLYRO-GOSISDBHSA-N 2 1 345.487 1.796 20 0 EDADMP O=C1NCCCN1c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000863562139 596619514 /nfs/dbraw/zinc/61/95/14/596619514.db2.gz GZDISKHYXHMWEN-KRWDZBQOSA-N 2 1 332.448 1.153 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)[nH]n2)C[C@H]1C[NH+](C)C ZINC000870018452 596710202 /nfs/dbraw/zinc/71/02/02/596710202.db2.gz ABMQVKNYRGAMBK-GHMZBOCLSA-N 2 1 347.385 1.240 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868237256 596740125 /nfs/dbraw/zinc/74/01/25/596740125.db2.gz CILKGRKVWBAIPX-XOKHGSTOSA-N 2 1 344.459 1.240 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000870189292 596791536 /nfs/dbraw/zinc/79/15/36/596791536.db2.gz JGUVNWCHTPKRAZ-SFHVURJKSA-N 2 1 345.487 1.487 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000870189292 596791537 /nfs/dbraw/zinc/79/15/37/596791537.db2.gz JGUVNWCHTPKRAZ-SFHVURJKSA-N 2 1 345.487 1.487 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC000868353409 596797272 /nfs/dbraw/zinc/79/72/72/596797272.db2.gz AURMNSUNNFULFV-KRWDZBQOSA-N 2 1 334.464 1.441 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC000868353409 596797273 /nfs/dbraw/zinc/79/72/73/596797273.db2.gz AURMNSUNNFULFV-KRWDZBQOSA-N 2 1 334.464 1.441 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000868353409 596797275 /nfs/dbraw/zinc/79/72/75/596797275.db2.gz AURMNSUNNFULFV-KRWDZBQOSA-N 2 1 334.464 1.441 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000868353409 596797276 /nfs/dbraw/zinc/79/72/76/596797276.db2.gz AURMNSUNNFULFV-KRWDZBQOSA-N 2 1 334.464 1.441 20 0 EDADMP CC1(C)CCc2onc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)c2C1 ZINC000872141679 596808327 /nfs/dbraw/zinc/80/83/27/596808327.db2.gz NSVOPGJBUGOWIJ-CYBMUJFWSA-N 2 1 334.464 1.476 20 0 EDADMP CC1(C)CCc2onc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)c2C1 ZINC000872141679 596808330 /nfs/dbraw/zinc/80/83/30/596808330.db2.gz NSVOPGJBUGOWIJ-CYBMUJFWSA-N 2 1 334.464 1.476 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1C ZINC000872143977 596809395 /nfs/dbraw/zinc/80/93/95/596809395.db2.gz SXZVUXZKVJQLMS-INIZCTEOSA-N 2 1 347.459 1.601 20 0 EDADMP CCOCCNC(=O)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158678 596817039 /nfs/dbraw/zinc/81/70/39/596817039.db2.gz WWKQPZLZRNWUAK-NVXWUHKLSA-N 2 1 325.497 1.759 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CCO1 ZINC000872158703 596817178 /nfs/dbraw/zinc/81/71/78/596817178.db2.gz XENRFIYVLODVGT-RYRKJORJSA-N 2 1 337.508 1.853 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc(OC)c1 ZINC000872254486 596855729 /nfs/dbraw/zinc/85/57/29/596855729.db2.gz FNZKBRLDOABATP-XKQJLSEDSA-N 2 1 347.415 1.071 20 0 EDADMP C[C@@H](C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccc(F)cc1 ZINC000872257578 596857407 /nfs/dbraw/zinc/85/74/07/596857407.db2.gz UBYYVDIWJCKUIT-SJWGOKEGSA-N 2 1 333.407 1.796 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000875709902 596955292 /nfs/dbraw/zinc/95/52/92/596955292.db2.gz MAHRNPLQOGHNJN-KBPBESRZSA-N 2 1 326.485 1.004 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000875709902 596955296 /nfs/dbraw/zinc/95/52/96/596955296.db2.gz MAHRNPLQOGHNJN-KBPBESRZSA-N 2 1 326.485 1.004 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000875709902 596955297 /nfs/dbraw/zinc/95/52/97/596955297.db2.gz MAHRNPLQOGHNJN-KBPBESRZSA-N 2 1 326.485 1.004 20 0 EDADMP CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873210685 597229173 /nfs/dbraw/zinc/22/91/73/597229173.db2.gz OHYHXSWWCORNTJ-CQSZACIVSA-N 2 1 328.503 1.793 20 0 EDADMP CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873210685 597229174 /nfs/dbraw/zinc/22/91/74/597229174.db2.gz OHYHXSWWCORNTJ-CQSZACIVSA-N 2 1 328.503 1.793 20 0 EDADMP NC(=O)COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873226861 597233848 /nfs/dbraw/zinc/23/38/48/597233848.db2.gz CKUSOXFAMDACSF-WCQYABFASA-N 2 1 331.338 1.120 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873226861 597233851 /nfs/dbraw/zinc/23/38/51/597233851.db2.gz CKUSOXFAMDACSF-WCQYABFASA-N 2 1 331.338 1.120 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccccc1OCC(=O)N1CCCC1)C2 ZINC000873229462 597234896 /nfs/dbraw/zinc/23/48/96/597234896.db2.gz ZSFSUBQCHGYCPJ-FXAWDEMLSA-N 2 1 343.471 1.729 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccccc1OCC(=O)N1CCCC1)C2 ZINC000873229462 597234899 /nfs/dbraw/zinc/23/48/99/597234899.db2.gz ZSFSUBQCHGYCPJ-FXAWDEMLSA-N 2 1 343.471 1.729 20 0 EDADMP Cc1ccc2nc(CNC(=O)N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)cn2c1 ZINC000875133148 597295839 /nfs/dbraw/zinc/29/58/39/597295839.db2.gz YIPWAIJYPNSKAY-GDBMZVCRSA-N 2 1 327.432 1.878 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCCn1cc[nH+]c1C ZINC000876723658 597306487 /nfs/dbraw/zinc/30/64/87/597306487.db2.gz WOQIGVYTLJWIAD-OAHLLOKOSA-N 2 1 330.436 1.441 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000876723653 597307004 /nfs/dbraw/zinc/30/70/04/597307004.db2.gz WJCMWNXALORVFC-HOTGVXAUSA-N 2 1 333.480 1.720 20 0 EDADMP Clc1ccc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000876991381 597406651 /nfs/dbraw/zinc/40/66/51/597406651.db2.gz MVAMJUHVSNZGGG-UHFFFAOYSA-N 2 1 346.866 1.827 20 0 EDADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000877017440 597412776 /nfs/dbraw/zinc/41/27/76/597412776.db2.gz OJWKCXMCCHXXER-PEBXRYMYSA-N 2 1 333.413 1.463 20 0 EDADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000877031075 597417349 /nfs/dbraw/zinc/41/73/49/597417349.db2.gz QNLKXUXZLDXPGF-SUYBPPKGSA-N 2 1 328.416 1.233 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000877120777 597437890 /nfs/dbraw/zinc/43/78/90/597437890.db2.gz VEAPTYRNAXMRJF-OAHLLOKOSA-N 2 1 339.443 1.307 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000877229426 597469083 /nfs/dbraw/zinc/46/90/83/597469083.db2.gz MIDWVGGPMJIADX-KURKYZTESA-N 2 1 345.487 1.685 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000877229426 597469085 /nfs/dbraw/zinc/46/90/85/597469085.db2.gz MIDWVGGPMJIADX-KURKYZTESA-N 2 1 345.487 1.685 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000877229693 597469908 /nfs/dbraw/zinc/46/99/08/597469908.db2.gz PUEFRWDWBSXFNW-QUCCMNQESA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000877229693 597469912 /nfs/dbraw/zinc/46/99/12/597469912.db2.gz PUEFRWDWBSXFNW-QUCCMNQESA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000877231753 597470507 /nfs/dbraw/zinc/47/05/07/597470507.db2.gz SJXDBVSOMHWNBI-IBGZPJMESA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000877231753 597470508 /nfs/dbraw/zinc/47/05/08/597470508.db2.gz SJXDBVSOMHWNBI-IBGZPJMESA-N 2 1 345.487 1.702 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)CC[C@H]21 ZINC000877250979 597479991 /nfs/dbraw/zinc/47/99/91/597479991.db2.gz VJDNMMMDNRIUIF-SJLPKXTDSA-N 2 1 327.472 1.860 20 0 EDADMP C[C@@]12CN(C(=O)[C@]3(F)CC[NH2+]C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877353438 597499083 /nfs/dbraw/zinc/49/90/83/597499083.db2.gz VAZNITCCGOUIJT-UHOSZYNNSA-N 2 1 331.435 1.669 20 0 EDADMP C[NH+]1CCN(C2CC[NH+](Cc3cccn(C(F)F)c3=O)CC2)CC1 ZINC000877747100 597552773 /nfs/dbraw/zinc/55/27/73/597552773.db2.gz VQNUOCVXBAOHDP-UHFFFAOYSA-N 2 1 340.418 1.455 20 0 EDADMP COCC[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC000878011288 597569417 /nfs/dbraw/zinc/56/94/17/597569417.db2.gz RAXOAVODBWFPHS-INIZCTEOSA-N 2 1 333.476 1.906 20 0 EDADMP COCC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC000878011288 597569418 /nfs/dbraw/zinc/56/94/18/597569418.db2.gz RAXOAVODBWFPHS-INIZCTEOSA-N 2 1 333.476 1.906 20 0 EDADMP COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878015623 597569629 /nfs/dbraw/zinc/56/96/29/597569629.db2.gz APMSWZALLTYWJJ-GOSISDBHSA-N 2 1 345.487 1.913 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)CC2(O)CCCC2)C1 ZINC000878158715 597582993 /nfs/dbraw/zinc/58/29/93/597582993.db2.gz LZKSZZDYSPOCRM-IAGOWNOFSA-N 2 1 328.497 1.475 20 0 EDADMP CN(CC[N@@H+](C)C[C@H](O)CC1(O)CCCCC1)C1CC[NH+](C)CC1 ZINC000878311496 597594640 /nfs/dbraw/zinc/59/46/40/597594640.db2.gz NISPSUFAMLRNNI-GOSISDBHSA-N 2 1 341.540 1.390 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000883116729 597656291 /nfs/dbraw/zinc/65/62/91/597656291.db2.gz CLYWJMKSZFHSEK-GOSISDBHSA-N 2 1 330.476 1.828 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000883116729 597656295 /nfs/dbraw/zinc/65/62/95/597656295.db2.gz CLYWJMKSZFHSEK-GOSISDBHSA-N 2 1 330.476 1.828 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000883116729 597656297 /nfs/dbraw/zinc/65/62/97/597656297.db2.gz CLYWJMKSZFHSEK-GOSISDBHSA-N 2 1 330.476 1.828 20 0 EDADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCc2ccc(C(N)=O)cc2)CC1 ZINC000878671019 597674379 /nfs/dbraw/zinc/67/43/79/597674379.db2.gz XAEWRVTYGHNGMI-UHFFFAOYSA-N 2 1 333.476 1.401 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CCN1c1cc[nH+]cc1 ZINC000883359257 597724174 /nfs/dbraw/zinc/72/41/74/597724174.db2.gz BOZFCVULOSSAGS-JKSUJKDBSA-N 2 1 331.464 1.644 20 0 EDADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)O1 ZINC000883424302 597741892 /nfs/dbraw/zinc/74/18/92/597741892.db2.gz NMYOSBCETJATCR-ZACQAIPSSA-N 2 1 337.508 1.914 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000883452747 597753597 /nfs/dbraw/zinc/75/35/97/597753597.db2.gz LXBRGMYCXCGEGE-KRWDZBQOSA-N 2 1 330.476 1.479 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)CC1 ZINC000878938165 597761086 /nfs/dbraw/zinc/76/10/86/597761086.db2.gz KSVAMCLNWBKXHP-PKOBYXMFSA-N 2 1 345.487 1.295 20 0 EDADMP CC(C)c1cc([C@@H]2CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)[nH]n1 ZINC000879918341 597763723 /nfs/dbraw/zinc/76/37/23/597763723.db2.gz AWBQKGQVKCQXES-MRXNPFEDSA-N 2 1 347.507 1.877 20 0 EDADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)[nH]n1 ZINC000879918341 597763725 /nfs/dbraw/zinc/76/37/25/597763725.db2.gz AWBQKGQVKCQXES-MRXNPFEDSA-N 2 1 347.507 1.877 20 0 EDADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878990681 597777543 /nfs/dbraw/zinc/77/75/43/597777543.db2.gz NVQYNLPFFLEXOZ-GOSISDBHSA-N 2 1 330.476 1.408 20 0 EDADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000879947319 597779625 /nfs/dbraw/zinc/77/96/25/597779625.db2.gz DMBXGQRECFUDSU-ZWKOTPCHSA-N 2 1 340.508 1.883 20 0 EDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000879978211 597795138 /nfs/dbraw/zinc/79/51/38/597795138.db2.gz VCOCSHMSYZQMAW-SQNIBIBYSA-N 2 1 339.524 1.850 20 0 EDADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020397 597811251 /nfs/dbraw/zinc/81/12/51/597811251.db2.gz IUONRYHKHIMNLI-APWZRJJASA-N 2 1 344.459 1.286 20 0 EDADMP CNC(=O)NC(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020397 597811252 /nfs/dbraw/zinc/81/12/52/597811252.db2.gz IUONRYHKHIMNLI-APWZRJJASA-N 2 1 344.459 1.286 20 0 EDADMP CNC(=O)NC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020397 597811255 /nfs/dbraw/zinc/81/12/55/597811255.db2.gz IUONRYHKHIMNLI-APWZRJJASA-N 2 1 344.459 1.286 20 0 EDADMP CN(C[C@@H](O)C[N@@H+](C)CCc1cncn1C)C(=O)OC(C)(C)C ZINC000879080608 597813935 /nfs/dbraw/zinc/81/39/35/597813935.db2.gz MTVJOGJCZMIDJS-AWEZNQCLSA-N 2 1 326.441 1.122 20 0 EDADMP COCC[N@H+](CC(=O)NCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000879124334 597826376 /nfs/dbraw/zinc/82/63/76/597826376.db2.gz TYQOTHZGCYOFEA-UHFFFAOYSA-N 2 1 333.476 1.593 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC000879244776 597862629 /nfs/dbraw/zinc/86/26/29/597862629.db2.gz GISPQXOOBUYMRJ-PKOBYXMFSA-N 2 1 331.460 1.349 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC000879244776 597862630 /nfs/dbraw/zinc/86/26/30/597862630.db2.gz GISPQXOOBUYMRJ-PKOBYXMFSA-N 2 1 331.460 1.349 20 0 EDADMP COC(=O)CC[C@H](C(=O)OC)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250340 597864682 /nfs/dbraw/zinc/86/46/82/597864682.db2.gz DWDQVAQMSRNSNM-CQSZACIVSA-N 2 1 326.437 1.289 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883701198 597867380 /nfs/dbraw/zinc/86/73/80/597867380.db2.gz HGXYWTWNMLCHDX-DOTOQJQBSA-N 2 1 340.512 1.658 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@H]1CCCOC1 ZINC000883770175 597894999 /nfs/dbraw/zinc/89/49/99/597894999.db2.gz LVOUMVGUDAKADV-ULQDDVLXSA-N 2 1 342.528 1.763 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@H]1CCCOC1 ZINC000883770175 597895001 /nfs/dbraw/zinc/89/50/01/597895001.db2.gz LVOUMVGUDAKADV-ULQDDVLXSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000889332749 597941960 /nfs/dbraw/zinc/94/19/60/597941960.db2.gz KEHPDDKYHBLSIL-LZLYRXPVSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000889332749 597941961 /nfs/dbraw/zinc/94/19/61/597941961.db2.gz KEHPDDKYHBLSIL-LZLYRXPVSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C ZINC000880664154 597990526 /nfs/dbraw/zinc/99/05/26/597990526.db2.gz MPIDGNOPYOSKJG-GRDNDAEWSA-N 2 1 335.496 1.464 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C ZINC000880664154 597990528 /nfs/dbraw/zinc/99/05/28/597990528.db2.gz MPIDGNOPYOSKJG-GRDNDAEWSA-N 2 1 335.496 1.464 20 0 EDADMP COCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000884185859 598018439 /nfs/dbraw/zinc/01/84/39/598018439.db2.gz JULPTLXQASQXKM-CRAIPNDOSA-N 2 1 333.476 1.899 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CC3CC3)c2)CCO1 ZINC000884202463 598027167 /nfs/dbraw/zinc/02/71/67/598027167.db2.gz ZCMRRACXRVPOLQ-KSSFIOAISA-N 2 1 331.460 1.651 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CC3CC3)c2)CCO1 ZINC000884202463 598027170 /nfs/dbraw/zinc/02/71/70/598027170.db2.gz ZCMRRACXRVPOLQ-KSSFIOAISA-N 2 1 331.460 1.651 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884517614 598126453 /nfs/dbraw/zinc/12/64/53/598126453.db2.gz SHXYZENSEVVKFU-PBHICJAKSA-N 2 1 346.475 1.091 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000916657984 696710826 /nfs/dbraw/zinc/71/08/26/696710826.db2.gz JYUZDGCAOGVBAC-GOSISDBHSA-N 2 1 344.503 1.944 20 0 EDADMP C[C@H](F)CC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001030988025 695093661 /nfs/dbraw/zinc/09/36/61/695093661.db2.gz VRKGISYTJBUBFO-QGTPRVQTSA-N 2 1 333.451 1.880 20 0 EDADMP C[C@H](F)CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001030988025 695093663 /nfs/dbraw/zinc/09/36/63/695093663.db2.gz VRKGISYTJBUBFO-QGTPRVQTSA-N 2 1 333.451 1.880 20 0 EDADMP CCOC1CC(C[NH+]2CC(NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001031049926 695381394 /nfs/dbraw/zinc/38/13/94/695381394.db2.gz SQTDPVIPOKGPHV-KLHKWILBSA-N 2 1 337.508 1.866 20 0 EDADMP COCC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993610239 696254679 /nfs/dbraw/zinc/25/46/79/696254679.db2.gz FGKQUSKXBQTOJX-GJZGRUSLSA-N 2 1 334.464 1.377 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993610239 696254680 /nfs/dbraw/zinc/25/46/80/696254680.db2.gz FGKQUSKXBQTOJX-GJZGRUSLSA-N 2 1 334.464 1.377 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cncs1 ZINC000993756236 696350618 /nfs/dbraw/zinc/35/06/18/696350618.db2.gz GNAOQZLGKBORGC-CZUORRHYSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1cncs1 ZINC000993756236 696350620 /nfs/dbraw/zinc/35/06/20/696350620.db2.gz GNAOQZLGKBORGC-CZUORRHYSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CCc1cnn(C)c1 ZINC000993759478 696352343 /nfs/dbraw/zinc/35/23/43/696352343.db2.gz LHSNJUIKJXPZCX-YJBOKZPZSA-N 2 1 347.507 1.274 20 0 EDADMP Cc1oncc1C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994247317 696632484 /nfs/dbraw/zinc/63/24/84/696632484.db2.gz CQULAJSMVYIMLI-CZUORRHYSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1oncc1C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994247317 696632485 /nfs/dbraw/zinc/63/24/85/696632485.db2.gz CQULAJSMVYIMLI-CZUORRHYSA-N 2 1 332.448 1.548 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1CCc1ccns1 ZINC000994403439 696825937 /nfs/dbraw/zinc/82/59/37/696825937.db2.gz CFLIGANBTNOPMA-GDBMZVCRSA-N 2 1 336.505 1.751 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)C1CCCC1 ZINC000916979180 696868656 /nfs/dbraw/zinc/86/86/56/696868656.db2.gz JDCOBOBDCNRWMR-KRWDZBQOSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)C1CCCC1 ZINC000916979180 696868658 /nfs/dbraw/zinc/86/86/58/696868658.db2.gz JDCOBOBDCNRWMR-KRWDZBQOSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)C1CCCC1 ZINC000916979180 696868661 /nfs/dbraw/zinc/86/86/61/696868661.db2.gz JDCOBOBDCNRWMR-KRWDZBQOSA-N 2 1 338.496 1.413 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CCC[C@H](NC(=O)Cn2ccnc2)[C@H]1C ZINC000994504079 696941586 /nfs/dbraw/zinc/94/15/86/696941586.db2.gz GLNDPQIPPFYEKH-CABCVRRESA-N 2 1 347.488 1.860 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CCC[C@H](NC(=O)Cn2ccnc2)[C@@H]1C ZINC000994504081 696941897 /nfs/dbraw/zinc/94/18/97/696941897.db2.gz GLNDPQIPPFYEKH-GJZGRUSLSA-N 2 1 347.488 1.860 20 0 EDADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000917570169 697040486 /nfs/dbraw/zinc/04/04/86/697040486.db2.gz GQIVFYYMLLLFJC-NVXWUHKLSA-N 2 1 333.480 1.715 20 0 EDADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](c3nccn3C)C2)CC1 ZINC000444790192 697154979 /nfs/dbraw/zinc/15/49/79/697154979.db2.gz HMAZMAXNTSHWAQ-OAHLLOKOSA-N 2 1 348.447 1.011 20 0 EDADMP COC(=O)C1CCN(C(=O)CN2CCC[C@@H](c3nccn3C)C2)CC1 ZINC000444790192 697154981 /nfs/dbraw/zinc/15/49/81/697154981.db2.gz HMAZMAXNTSHWAQ-OAHLLOKOSA-N 2 1 348.447 1.011 20 0 EDADMP CN1CCN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C(C)(C)C ZINC000919603957 697304298 /nfs/dbraw/zinc/30/42/98/697304298.db2.gz LXIFLIDWYZGHKW-RDJZCZTQSA-N 2 1 343.537 1.464 20 0 EDADMP C[N@@H+]1CCN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C[C@H]1C(C)(C)C ZINC000919603957 697304300 /nfs/dbraw/zinc/30/43/00/697304300.db2.gz LXIFLIDWYZGHKW-RDJZCZTQSA-N 2 1 343.537 1.464 20 0 EDADMP C[N@H+]1CCN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C[C@H]1C(C)(C)C ZINC000919603957 697304302 /nfs/dbraw/zinc/30/43/02/697304302.db2.gz LXIFLIDWYZGHKW-RDJZCZTQSA-N 2 1 343.537 1.464 20 0 EDADMP C[NH+]1CCN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C(C)(C)C ZINC000919603957 697304306 /nfs/dbraw/zinc/30/43/06/697304306.db2.gz LXIFLIDWYZGHKW-RDJZCZTQSA-N 2 1 343.537 1.464 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccnc1 ZINC000919628428 697305055 /nfs/dbraw/zinc/30/50/55/697305055.db2.gz SKLJQDZLCSBQCN-MSOLQXFVSA-N 2 1 345.491 1.858 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040849706 697345149 /nfs/dbraw/zinc/34/51/49/697345149.db2.gz UUFJDBUULUGFLW-SJORKVTESA-N 2 1 337.508 1.678 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031665629 697445625 /nfs/dbraw/zinc/44/56/25/697445625.db2.gz BWOGWAPGOWJOBL-QGZVFWFLSA-N 2 1 348.491 1.966 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665629 697445626 /nfs/dbraw/zinc/44/56/26/697445626.db2.gz BWOGWAPGOWJOBL-QGZVFWFLSA-N 2 1 348.491 1.966 20 0 EDADMP O=C(NCC1CN(Cc2ccc(F)cn2)C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031668269 697459894 /nfs/dbraw/zinc/45/98/94/697459894.db2.gz BZTFLFRLZRQWKB-MAUKXSAKSA-N 2 1 346.450 1.643 20 0 EDADMP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031669442 697464444 /nfs/dbraw/zinc/46/44/44/697464444.db2.gz KFJWZJGVUDWDAD-JKSUJKDBSA-N 2 1 348.516 1.608 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cccc(OC)c3)C2)CC[N@H+]1C ZINC001031683902 697514567 /nfs/dbraw/zinc/51/45/67/697514567.db2.gz BVJDTXHTUKNBSN-RBUKOAKNSA-N 2 1 345.487 1.974 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000921113069 697515528 /nfs/dbraw/zinc/51/55/28/697515528.db2.gz VZZIWVBIVQTBNY-ZACQAIPSSA-N 2 1 325.497 1.460 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000921113069 697515533 /nfs/dbraw/zinc/51/55/33/697515533.db2.gz VZZIWVBIVQTBNY-ZACQAIPSSA-N 2 1 325.497 1.460 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccc(F)c2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688539 697525746 /nfs/dbraw/zinc/52/57/46/697525746.db2.gz HZLUWMQZDUFVTH-MSOLQXFVSA-N 2 1 347.434 1.237 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccc(F)c2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688539 697525747 /nfs/dbraw/zinc/52/57/47/697525747.db2.gz HZLUWMQZDUFVTH-MSOLQXFVSA-N 2 1 347.434 1.237 20 0 EDADMP CC(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031730156 698066051 /nfs/dbraw/zinc/06/60/51/698066051.db2.gz FXYJYXWJSHGNGH-SFHVURJKSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1conc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000995040125 700222157 /nfs/dbraw/zinc/22/21/57/700222157.db2.gz VHOMKXFTXOLSFM-CABCVRRESA-N 2 1 331.420 1.563 20 0 EDADMP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000940117538 700250495 /nfs/dbraw/zinc/25/04/95/700250495.db2.gz VFNWIMDHMMCXSP-HZPDHXFCSA-N 2 1 345.491 1.596 20 0 EDADMP CCc1nnc(CN[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939137615 699225067 /nfs/dbraw/zinc/22/50/67/699225067.db2.gz LEFBREBEMWJPTH-KGLIPLIRSA-N 2 1 349.479 1.300 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939137933 699226007 /nfs/dbraw/zinc/22/60/07/699226007.db2.gz PLNNDKWTFYEROL-ZFWWWQNUSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939138456 699236006 /nfs/dbraw/zinc/23/60/06/699236006.db2.gz ZAJNECMJNRMLBN-WMLDXEAASA-N 2 1 345.491 1.453 20 0 EDADMP COc1ccnc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)c1 ZINC000939749659 699897019 /nfs/dbraw/zinc/89/70/19/699897019.db2.gz WTPXWXREOJMCIX-SUMWQHHRSA-N 2 1 343.431 1.232 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000939753365 699902891 /nfs/dbraw/zinc/90/28/91/699902891.db2.gz FLZGKJMEARQYHR-RDTXWAMCSA-N 2 1 342.443 1.321 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1noc2c1CCCC2 ZINC000939755143 699906210 /nfs/dbraw/zinc/90/62/10/699906210.db2.gz PPBVTIDKOJTIQU-YOEHRIQHSA-N 2 1 346.475 1.586 20 0 EDADMP C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1[NH2+]Cc1ccon1 ZINC000939806587 699955279 /nfs/dbraw/zinc/95/52/79/699955279.db2.gz KKSFCSDVKFRHND-KSSFIOAISA-N 2 1 342.443 1.987 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1ncccn1 ZINC000939808130 699956936 /nfs/dbraw/zinc/95/69/36/699956936.db2.gz BXZSIVDICWZQPW-CVEARBPZSA-N 2 1 331.464 1.289 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939811486 699959508 /nfs/dbraw/zinc/95/95/08/699959508.db2.gz TYBZTDBNUGNUIN-RHSMWYFYSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+](C)C3CCC3)CC2)[nH]1 ZINC000940154086 700283938 /nfs/dbraw/zinc/28/39/38/700283938.db2.gz OLCBATKVHOBQOG-UHFFFAOYSA-N 2 1 334.468 1.068 20 0 EDADMP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000940176836 700309588 /nfs/dbraw/zinc/30/95/88/700309588.db2.gz QZQWFMTZTUYZPV-CVEARBPZSA-N 2 1 347.463 1.557 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000940327991 700505811 /nfs/dbraw/zinc/50/58/11/700505811.db2.gz BWNSMDNALXHHLI-DZGCQCFKSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000940329260 700508377 /nfs/dbraw/zinc/50/83/77/700508377.db2.gz SXCGMVVMMWALOP-JSGCOSHPSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000940329260 700508378 /nfs/dbraw/zinc/50/83/78/700508378.db2.gz SXCGMVVMMWALOP-JSGCOSHPSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)no1 ZINC000940329176 700508401 /nfs/dbraw/zinc/50/84/01/700508401.db2.gz QVMURXBWFUINCB-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000940329183 700508650 /nfs/dbraw/zinc/50/86/50/700508650.db2.gz QYFIPCQUISKHOS-HNNXBMFYSA-N 2 1 348.495 1.111 20 0 EDADMP CC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000940441988 700643858 /nfs/dbraw/zinc/64/38/58/700643858.db2.gz VXMSTXSTIWEBEV-APWZRJJASA-N 2 1 335.492 1.480 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ncnn2C)CC1 ZINC000940472771 700658207 /nfs/dbraw/zinc/65/82/07/700658207.db2.gz WWFHCYZZAAEUJT-OAHLLOKOSA-N 2 1 348.495 1.160 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC000940457421 700660899 /nfs/dbraw/zinc/66/08/99/700660899.db2.gz FCCXKAHDZSTPQK-CQSZACIVSA-N 2 1 336.505 1.874 20 0 EDADMP CCn1nnc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940462060 700665630 /nfs/dbraw/zinc/66/56/30/700665630.db2.gz YWGUFFPPVIPJAH-HNNXBMFYSA-N 2 1 348.495 1.029 20 0 EDADMP CCOC1CC(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000940462087 700666005 /nfs/dbraw/zinc/66/60/05/700666005.db2.gz ZPFJUPCLZMPBJQ-UHFFFAOYSA-N 2 1 348.491 1.977 20 0 EDADMP Cn1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC000995100967 700890467 /nfs/dbraw/zinc/89/04/67/700890467.db2.gz DUBOHDSZMXNJKQ-HZPDHXFCSA-N 2 1 347.507 1.527 20 0 EDADMP Cn1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)cn1 ZINC000995102600 700910432 /nfs/dbraw/zinc/91/04/32/700910432.db2.gz INAYNPHIVFKLAK-DOTOQJQBSA-N 2 1 347.507 1.527 20 0 EDADMP Cc1c(C(=O)N[C@H]2CC[N@H+](C[C@H](C)O)CC2(C)C)ccc2c[nH+]cn21 ZINC000940852801 700952881 /nfs/dbraw/zinc/95/28/81/700952881.db2.gz FJNGIJFURHMWMI-GUYCJALGSA-N 2 1 344.459 1.854 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCCO2)CC1(C)C ZINC000940892261 700967601 /nfs/dbraw/zinc/96/76/01/700967601.db2.gz AVYDTWLRMZMGKJ-IRXDYDNUSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)CC1(C)C ZINC000940892261 700967602 /nfs/dbraw/zinc/96/76/02/700967602.db2.gz AVYDTWLRMZMGKJ-IRXDYDNUSA-N 2 1 348.491 1.977 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940972166 701014528 /nfs/dbraw/zinc/01/45/28/701014528.db2.gz JDUHBCYNUBUNSR-SJORKVTESA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940972166 701014529 /nfs/dbraw/zinc/01/45/29/701014529.db2.gz JDUHBCYNUBUNSR-SJORKVTESA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940972166 701014531 /nfs/dbraw/zinc/01/45/31/701014531.db2.gz JDUHBCYNUBUNSR-SJORKVTESA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940972166 701014533 /nfs/dbraw/zinc/01/45/33/701014533.db2.gz JDUHBCYNUBUNSR-SJORKVTESA-N 2 1 339.524 1.968 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C(C)(C)C1 ZINC000941023026 701063266 /nfs/dbraw/zinc/06/32/66/701063266.db2.gz ZNDFFEWKZUAPGO-HIFRSBDPSA-N 2 1 334.464 1.693 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCO)CC1(C)C ZINC000941157491 701221044 /nfs/dbraw/zinc/22/10/44/701221044.db2.gz CJDKLQXKERURRW-SJORKVTESA-N 2 1 339.524 1.850 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCO)CC1(C)C ZINC000941157491 701221045 /nfs/dbraw/zinc/22/10/45/701221045.db2.gz CJDKLQXKERURRW-SJORKVTESA-N 2 1 339.524 1.850 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941157491 701221047 /nfs/dbraw/zinc/22/10/47/701221047.db2.gz CJDKLQXKERURRW-SJORKVTESA-N 2 1 339.524 1.850 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941164917 701230777 /nfs/dbraw/zinc/23/07/77/701230777.db2.gz YVTBFVUGMKZHBF-IRXDYDNUSA-N 2 1 347.507 1.442 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941164917 701230779 /nfs/dbraw/zinc/23/07/79/701230779.db2.gz YVTBFVUGMKZHBF-IRXDYDNUSA-N 2 1 347.507 1.442 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941164917 701230781 /nfs/dbraw/zinc/23/07/81/701230781.db2.gz YVTBFVUGMKZHBF-IRXDYDNUSA-N 2 1 347.507 1.442 20 0 EDADMP CC1(C)C[N@@H+](CCOC2CCC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166980 701377817 /nfs/dbraw/zinc/37/78/17/701377817.db2.gz NTKYRMVBXYIBMP-KRWDZBQOSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948867 701519727 /nfs/dbraw/zinc/51/97/27/701519727.db2.gz RLJYUXIGCBNKSD-UHFFFAOYSA-N 2 1 347.507 1.662 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(CC=C(C)C)C2)CC1 ZINC000941431652 701538217 /nfs/dbraw/zinc/53/82/17/701538217.db2.gz SEMHIDLJZWSAIR-LJQANCHMSA-N 2 1 348.535 1.655 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC=C(C)C)C2)CC1 ZINC000941431652 701538218 /nfs/dbraw/zinc/53/82/18/701538218.db2.gz SEMHIDLJZWSAIR-LJQANCHMSA-N 2 1 348.535 1.655 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC=C(C)C)C2)CC1 ZINC000941431652 701538219 /nfs/dbraw/zinc/53/82/19/701538219.db2.gz SEMHIDLJZWSAIR-LJQANCHMSA-N 2 1 348.535 1.655 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128574 701790682 /nfs/dbraw/zinc/79/06/82/701790682.db2.gz GYBZZMJMQBGXLD-WBVHZDCISA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)CC[N@H+]1C ZINC000995827772 702101670 /nfs/dbraw/zinc/10/16/70/702101670.db2.gz WGCWYGDBCVTQMZ-XYPHTWIQSA-N 2 1 348.466 1.888 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)CC[N@@H+]1C ZINC000995837364 702115936 /nfs/dbraw/zinc/11/59/36/702115936.db2.gz DGDMFHGSMVUDCD-XHSDSOJGSA-N 2 1 345.491 1.534 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)CC[N@H+]1C ZINC000995837364 702115938 /nfs/dbraw/zinc/11/59/38/702115938.db2.gz DGDMFHGSMVUDCD-XHSDSOJGSA-N 2 1 345.491 1.534 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3cnon3)C(C)(C)C2)CC[N@@H+]1C ZINC000995843342 702124058 /nfs/dbraw/zinc/12/40/58/702124058.db2.gz WTOZZAUDEGTEMX-RRFJBIMHSA-N 2 1 335.452 1.127 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3cnon3)C(C)(C)C2)CC[N@H+]1C ZINC000995843342 702124060 /nfs/dbraw/zinc/12/40/60/702124060.db2.gz WTOZZAUDEGTEMX-RRFJBIMHSA-N 2 1 335.452 1.127 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCn3cccn3)C2)CC[N@H+]1C ZINC000999199944 706643517 /nfs/dbraw/zinc/64/35/17/706643517.db2.gz ISDDVUPVANCXSE-YESZJQIVSA-N 2 1 333.480 1.194 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cccc4nsnc43)C2)C1 ZINC001032182528 702202350 /nfs/dbraw/zinc/20/23/50/702202350.db2.gz MTPQLNZOWGJRED-CQSZACIVSA-N 2 1 345.472 1.191 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cccc4nsnc43)C2)C1 ZINC001032182528 702202357 /nfs/dbraw/zinc/20/23/57/702202357.db2.gz MTPQLNZOWGJRED-CQSZACIVSA-N 2 1 345.472 1.191 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000995886868 702223208 /nfs/dbraw/zinc/22/32/08/702223208.db2.gz OJJHBOJQSMDDCS-IRXDYDNUSA-N 2 1 347.507 1.621 20 0 EDADMP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995919312 702238687 /nfs/dbraw/zinc/23/86/87/702238687.db2.gz YQBCPYVMHSXLEF-HUUCEWRRSA-N 2 1 348.495 1.016 20 0 EDADMP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995919312 702238696 /nfs/dbraw/zinc/23/86/96/702238696.db2.gz YQBCPYVMHSXLEF-HUUCEWRRSA-N 2 1 348.495 1.016 20 0 EDADMP Cn1ccc(C[NH2+][C@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995919341 702239391 /nfs/dbraw/zinc/23/93/91/702239391.db2.gz YZMBKJZLOYODTL-SJORKVTESA-N 2 1 347.507 1.621 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)cn1 ZINC000944167596 702407011 /nfs/dbraw/zinc/40/70/11/702407011.db2.gz FLNNMQDNSRRNJI-PBHICJAKSA-N 2 1 343.475 1.207 20 0 EDADMP CCn1ccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995196511 702442239 /nfs/dbraw/zinc/44/22/39/702442239.db2.gz LGGUEDHQBNSQHM-HZPDHXFCSA-N 2 1 344.463 1.483 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996040411 702455707 /nfs/dbraw/zinc/45/57/07/702455707.db2.gz AAIMADZBHCXGID-MRXNPFEDSA-N 2 1 327.432 1.613 20 0 EDADMP C[C@H]1C[N@@H+](CCC2CC2)CC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942058595 702509523 /nfs/dbraw/zinc/50/95/23/702509523.db2.gz ZACRNVNKEKFFNC-DOTOQJQBSA-N 2 1 347.507 1.685 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CCC3CC3)C(C)(C)C2)C1 ZINC000996185210 702588572 /nfs/dbraw/zinc/58/85/72/702588572.db2.gz GAJANHHFBVNNIA-SJORKVTESA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CCC3CC3)C(C)(C)C2)C1 ZINC000996185210 702588576 /nfs/dbraw/zinc/58/85/76/702588576.db2.gz GAJANHHFBVNNIA-SJORKVTESA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942098784 702592830 /nfs/dbraw/zinc/59/28/30/702592830.db2.gz ASKKPLPEHVMFSF-TZMCWYRMSA-N 2 1 325.478 1.242 20 0 EDADMP COCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031994438 702594262 /nfs/dbraw/zinc/59/42/62/702594262.db2.gz YHEGEFRMIFFSJQ-MSOLQXFVSA-N 2 1 331.460 1.026 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996302691 702694600 /nfs/dbraw/zinc/69/46/00/702694600.db2.gz YVVKXQJEDPZONW-DOTOQJQBSA-N 2 1 330.476 1.750 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2nc(C)oc2C)C(C)(C)C1)[NH+](C)C ZINC000996315325 702703571 /nfs/dbraw/zinc/70/35/71/702703571.db2.gz MJTILMHBJYNELN-JKSUJKDBSA-N 2 1 336.480 1.958 20 0 EDADMP Cc1ncoc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995215821 702727540 /nfs/dbraw/zinc/72/75/40/702727540.db2.gz UETYFJTVQHPGIB-HUUCEWRRSA-N 2 1 331.420 1.563 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996381821 702747452 /nfs/dbraw/zinc/74/74/52/702747452.db2.gz ZTSVSOMJIKDZAM-HOTGVXAUSA-N 2 1 349.479 1.659 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996381821 702747455 /nfs/dbraw/zinc/74/74/55/702747455.db2.gz ZTSVSOMJIKDZAM-HOTGVXAUSA-N 2 1 349.479 1.659 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@H]([NH2+]Cc3cnon3)C(C)(C)C2)CC1 ZINC000996387130 702750767 /nfs/dbraw/zinc/75/07/67/702750767.db2.gz UYKMLKIBOXLKJK-HNNXBMFYSA-N 2 1 335.452 1.128 20 0 EDADMP CC1(C)CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccccn1 ZINC000996414925 702765687 /nfs/dbraw/zinc/76/56/87/702765687.db2.gz QURNQDLKAOCMCO-QGZVFWFLSA-N 2 1 346.475 1.131 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)o1 ZINC000942260179 702769517 /nfs/dbraw/zinc/76/95/17/702769517.db2.gz WYCJMFWVPSHSMC-ZBFHGGJFSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)o1 ZINC000942260179 702769519 /nfs/dbraw/zinc/76/95/19/702769519.db2.gz WYCJMFWVPSHSMC-ZBFHGGJFSA-N 2 1 346.475 1.938 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2nncn2C)CC1 ZINC000996465115 702792081 /nfs/dbraw/zinc/79/20/81/702792081.db2.gz QMUHSGJQFIGOAP-GDBMZVCRSA-N 2 1 348.495 1.330 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)o1 ZINC000996501087 702840045 /nfs/dbraw/zinc/84/00/45/702840045.db2.gz JXMBSCFUSDWQLI-RDJZCZTQSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996515272 702850826 /nfs/dbraw/zinc/85/08/26/702850826.db2.gz PRGWBCDMZMAACH-WBVHZDCISA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996607656 702911144 /nfs/dbraw/zinc/91/11/44/702911144.db2.gz DJVOSJSCSMNKBK-IAGOWNOFSA-N 2 1 330.476 1.668 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cc(C4CC4)no3)C(C)(C)C2)C1 ZINC000996617380 702924426 /nfs/dbraw/zinc/92/44/26/702924426.db2.gz UYMCBYNNWCBKMF-PBHICJAKSA-N 2 1 346.475 1.830 20 0 EDADMP CN(C)c1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)c1 ZINC001032314404 702965529 /nfs/dbraw/zinc/96/55/29/702965529.db2.gz XKXIYLBNVAGFIT-GBESFXJTSA-N 2 1 342.487 1.632 20 0 EDADMP CN(C)c1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)c1 ZINC001032314404 702965530 /nfs/dbraw/zinc/96/55/30/702965530.db2.gz XKXIYLBNVAGFIT-GBESFXJTSA-N 2 1 342.487 1.632 20 0 EDADMP CN(C)c1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001032314404 702965531 /nfs/dbraw/zinc/96/55/31/702965531.db2.gz XKXIYLBNVAGFIT-GBESFXJTSA-N 2 1 342.487 1.632 20 0 EDADMP CN(C)c1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001032314404 702965532 /nfs/dbraw/zinc/96/55/32/702965532.db2.gz XKXIYLBNVAGFIT-GBESFXJTSA-N 2 1 342.487 1.632 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000996664829 702967178 /nfs/dbraw/zinc/96/71/78/702967178.db2.gz JJSSZWIPRQWUFX-UHFFFAOYSA-N 2 1 335.452 1.197 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000996664829 702967179 /nfs/dbraw/zinc/96/71/79/702967179.db2.gz JJSSZWIPRQWUFX-UHFFFAOYSA-N 2 1 335.452 1.197 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nonc2C)C(C)(C)C1 ZINC000996671901 702972714 /nfs/dbraw/zinc/97/27/14/702972714.db2.gz PKNGRYKDKRUMLA-HOTGVXAUSA-N 2 1 349.479 1.579 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nonc2C)C(C)(C)C1 ZINC000996671901 702972715 /nfs/dbraw/zinc/97/27/15/702972715.db2.gz PKNGRYKDKRUMLA-HOTGVXAUSA-N 2 1 349.479 1.579 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996676162 702975192 /nfs/dbraw/zinc/97/51/92/702975192.db2.gz FWZWENPABUVVGY-KRWDZBQOSA-N 2 1 339.443 1.936 20 0 EDADMP Cn1cc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000996688410 702985601 /nfs/dbraw/zinc/98/56/01/702985601.db2.gz IPFSVNFCJQXFLX-KRWDZBQOSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC000996689973 702987074 /nfs/dbraw/zinc/98/70/74/702987074.db2.gz NQWTVXSAFOUFMT-XJKSGUPXSA-N 2 1 349.479 1.894 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)no1 ZINC000996689973 702987076 /nfs/dbraw/zinc/98/70/76/702987076.db2.gz NQWTVXSAFOUFMT-XJKSGUPXSA-N 2 1 349.479 1.894 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCOCC2)C[C@H]1C ZINC000942517670 703011218 /nfs/dbraw/zinc/01/12/18/703011218.db2.gz DPTLKKKTUBRKJN-CRAIPNDOSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCC2CCOCC2)C[C@H]1C ZINC000942517670 703011221 /nfs/dbraw/zinc/01/12/21/703011221.db2.gz DPTLKKKTUBRKJN-CRAIPNDOSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCc2ccns2)C[C@@H]1C ZINC000942518100 703012544 /nfs/dbraw/zinc/01/25/44/703012544.db2.gz MCJOJYPBZGKIHL-BBRMVZONSA-N 2 1 347.488 1.717 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCc2ccns2)C[C@@H]1C ZINC000942518100 703012547 /nfs/dbraw/zinc/01/25/47/703012547.db2.gz MCJOJYPBZGKIHL-BBRMVZONSA-N 2 1 347.488 1.717 20 0 EDADMP C[C@@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000942520191 703021752 /nfs/dbraw/zinc/02/17/52/703021752.db2.gz BJHYPCCJHXKSHP-HUUCEWRRSA-N 2 1 336.455 1.948 20 0 EDADMP C[C@@H]1C[N@@H+](CCCF)CC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000942520191 703021755 /nfs/dbraw/zinc/02/17/55/703021755.db2.gz BJHYPCCJHXKSHP-HUUCEWRRSA-N 2 1 336.455 1.948 20 0 EDADMP CCc1cnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000996728337 703023167 /nfs/dbraw/zinc/02/31/67/703023167.db2.gz IXCAIAGAHCQCBU-MRXNPFEDSA-N 2 1 334.464 1.802 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cnn(C)c2)C1 ZINC001032027443 703049708 /nfs/dbraw/zinc/04/97/08/703049708.db2.gz RXBXXIABQKPAIQ-KRWDZBQOSA-N 2 1 333.480 1.231 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cnn(C)c2)C1 ZINC001032027443 703049710 /nfs/dbraw/zinc/04/97/10/703049710.db2.gz RXBXXIABQKPAIQ-KRWDZBQOSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000996800718 703086760 /nfs/dbraw/zinc/08/67/60/703086760.db2.gz HPRQSHNBNQMWCF-GOSISDBHSA-N 2 1 342.443 1.506 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000996803926 703094422 /nfs/dbraw/zinc/09/44/22/703094422.db2.gz YMNZMXOOAZPRRL-AWEZNQCLSA-N 2 1 328.420 1.323 20 0 EDADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598141 703113084 /nfs/dbraw/zinc/11/30/84/703113084.db2.gz RXDBMBKMLXYXLP-CRAIPNDOSA-N 2 1 347.507 1.131 20 0 EDADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598143 703113245 /nfs/dbraw/zinc/11/32/45/703113245.db2.gz RXDBMBKMLXYXLP-QAPCUYQASA-N 2 1 347.507 1.131 20 0 EDADMP CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000995268048 703200119 /nfs/dbraw/zinc/20/01/19/703200119.db2.gz MXZNPGJZVLOYBR-GOSISDBHSA-N 2 1 342.487 1.848 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC([NH2+]C[C@H]3CCOC3)CC1)CC2 ZINC000996936287 703205300 /nfs/dbraw/zinc/20/53/00/703205300.db2.gz RXECOLFXNCVJHN-CVEARBPZSA-N 2 1 346.475 1.371 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000997004787 703261968 /nfs/dbraw/zinc/26/19/68/703261968.db2.gz GOKOEHONYFUICI-AWEZNQCLSA-N 2 1 348.491 1.968 20 0 EDADMP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997008980 703262213 /nfs/dbraw/zinc/26/22/13/703262213.db2.gz NQOAGZJOBYPXHL-ZBFHGGJFSA-N 2 1 333.480 1.181 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997005233 703262485 /nfs/dbraw/zinc/26/24/85/703262485.db2.gz DFNXZLFOYGLHMG-GOEBONIOSA-N 2 1 348.495 1.137 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000997008477 703266524 /nfs/dbraw/zinc/26/65/24/703266524.db2.gz MMUDZBOUOAKFPX-KXBFYZLASA-N 2 1 345.487 1.974 20 0 EDADMP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)n1 ZINC001032411034 703441995 /nfs/dbraw/zinc/44/19/95/703441995.db2.gz FGRCMRUVXALCRL-XGXHKWSGSA-N 2 1 342.487 1.824 20 0 EDADMP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)n1 ZINC001032411034 703441996 /nfs/dbraw/zinc/44/19/96/703441996.db2.gz FGRCMRUVXALCRL-XGXHKWSGSA-N 2 1 342.487 1.824 20 0 EDADMP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(C)n1 ZINC001032411034 703441998 /nfs/dbraw/zinc/44/19/98/703441998.db2.gz FGRCMRUVXALCRL-XGXHKWSGSA-N 2 1 342.487 1.824 20 0 EDADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(C)n1 ZINC001032411034 703442000 /nfs/dbraw/zinc/44/20/00/703442000.db2.gz FGRCMRUVXALCRL-XGXHKWSGSA-N 2 1 342.487 1.824 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997334036 703562532 /nfs/dbraw/zinc/56/25/32/703562532.db2.gz QQJQTMRRCLWNBC-AEFFLSMTSA-N 2 1 339.524 1.848 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3cccc(C)c3)CC2)C1 ZINC000997334846 703562658 /nfs/dbraw/zinc/56/26/58/703562658.db2.gz HURAUKONWONGGU-IBGZPJMESA-N 2 1 345.487 1.796 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3cccc(C)c3)CC2)C1 ZINC000997334846 703562660 /nfs/dbraw/zinc/56/26/60/703562660.db2.gz HURAUKONWONGGU-IBGZPJMESA-N 2 1 345.487 1.796 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000997361412 703598626 /nfs/dbraw/zinc/59/86/26/703598626.db2.gz UVSZGONBEACRFW-IYBDPMFKSA-N 2 1 347.507 1.416 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)o1 ZINC000997368216 703605142 /nfs/dbraw/zinc/60/51/42/703605142.db2.gz CJOWLLOBWOTKNF-QGZVFWFLSA-N 2 1 349.479 1.579 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCO)CC1 ZINC000997385981 703655528 /nfs/dbraw/zinc/65/55/28/703655528.db2.gz GJQXCZXVWRBBSM-SJLPKXTDSA-N 2 1 339.524 1.850 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCOC)CC1 ZINC000997434954 703664982 /nfs/dbraw/zinc/66/49/82/703664982.db2.gz RLWUOEFYZWSQRA-NVXWUHKLSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000997419882 703670027 /nfs/dbraw/zinc/67/00/27/703670027.db2.gz DFOCQDVGGGPIFQ-ZBFHGGJFSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000997514682 703764834 /nfs/dbraw/zinc/76/48/34/703764834.db2.gz ILFCSLOVSDDGHW-KBXCAEBGSA-N 2 1 345.491 1.596 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000997604601 703899610 /nfs/dbraw/zinc/89/96/10/703899610.db2.gz BNTOZYWOLOEWRN-HNNXBMFYSA-N 2 1 347.463 1.369 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000997604601 703899613 /nfs/dbraw/zinc/89/96/13/703899613.db2.gz BNTOZYWOLOEWRN-HNNXBMFYSA-N 2 1 347.463 1.369 20 0 EDADMP CC(C)c1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000997606882 703905678 /nfs/dbraw/zinc/90/56/78/703905678.db2.gz MMYDUJSYSVCRED-HNNXBMFYSA-N 2 1 348.495 1.351 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997641515 703949334 /nfs/dbraw/zinc/94/93/34/703949334.db2.gz FWUXTRWVFLWSDQ-MAUKXSAKSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995553099 703964771 /nfs/dbraw/zinc/96/47/71/703964771.db2.gz SOASCGAUCRNDLO-SJORKVTESA-N 2 1 330.476 1.811 20 0 EDADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032530906 704036440 /nfs/dbraw/zinc/03/64/40/704036440.db2.gz XIWZSFJHNCFZDU-VIYSVWJJSA-N 2 1 347.503 1.571 20 0 EDADMP CCC(CC)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001032530906 704036445 /nfs/dbraw/zinc/03/64/45/704036445.db2.gz XIWZSFJHNCFZDU-VIYSVWJJSA-N 2 1 347.503 1.571 20 0 EDADMP CCC(CC)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032530906 704036448 /nfs/dbraw/zinc/03/64/48/704036448.db2.gz XIWZSFJHNCFZDU-VIYSVWJJSA-N 2 1 347.503 1.571 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC001033082287 704138630 /nfs/dbraw/zinc/13/86/30/704138630.db2.gz PWAGDONWIZQPNS-ROUUACIJSA-N 2 1 343.475 1.160 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC001033082287 704138632 /nfs/dbraw/zinc/13/86/32/704138632.db2.gz PWAGDONWIZQPNS-ROUUACIJSA-N 2 1 343.475 1.160 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cncs3)C2)CC[N@@H+]1C ZINC001033098368 704201188 /nfs/dbraw/zinc/20/11/88/704201188.db2.gz GSAWOLGQBCPFIC-VNQPRFMTSA-N 2 1 336.505 1.906 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cncs3)C2)CC[N@H+]1C ZINC001033098368 704201190 /nfs/dbraw/zinc/20/11/90/704201190.db2.gz GSAWOLGQBCPFIC-VNQPRFMTSA-N 2 1 336.505 1.906 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cncs3)C2)CC[NH+]1C ZINC001033098368 704201193 /nfs/dbraw/zinc/20/11/93/704201193.db2.gz GSAWOLGQBCPFIC-VNQPRFMTSA-N 2 1 336.505 1.906 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cncs3)C2)CC[NH+]1C ZINC001033098368 704201197 /nfs/dbraw/zinc/20/11/97/704201197.db2.gz GSAWOLGQBCPFIC-VNQPRFMTSA-N 2 1 336.505 1.906 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3)C(C)(C)C2)C1 ZINC000995608348 704571704 /nfs/dbraw/zinc/57/17/04/704571704.db2.gz UZRRBRBYVAVPAU-SJORKVTESA-N 2 1 331.460 1.344 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3)C(C)(C)C2)C1 ZINC000995608348 704571707 /nfs/dbraw/zinc/57/17/07/704571707.db2.gz UZRRBRBYVAVPAU-SJORKVTESA-N 2 1 331.460 1.344 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1)CC2 ZINC000997733660 704632364 /nfs/dbraw/zinc/63/23/64/704632364.db2.gz BKUUFAVSVJRPHX-YOEHRIQHSA-N 2 1 348.491 1.353 20 0 EDADMP C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC[NH+](CCO)CC1 ZINC000997810005 704725190 /nfs/dbraw/zinc/72/51/90/704725190.db2.gz SYAJAXITJGWSMY-AWEZNQCLSA-N 2 1 343.431 1.090 20 0 EDADMP Cc1nnc(C[NH2+]CC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000997840100 704756471 /nfs/dbraw/zinc/75/64/71/704756471.db2.gz MJZKQHPSBQCSBY-MRXNPFEDSA-N 2 1 348.495 1.316 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000997840568 704757016 /nfs/dbraw/zinc/75/70/16/704757016.db2.gz OSHFWOOAFLDCJR-MRXNPFEDSA-N 2 1 349.479 1.581 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997840568 704757018 /nfs/dbraw/zinc/75/70/18/704757018.db2.gz OSHFWOOAFLDCJR-MRXNPFEDSA-N 2 1 349.479 1.581 20 0 EDADMP Cn1ccnc1C[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000997841297 704757727 /nfs/dbraw/zinc/75/77/27/704757727.db2.gz SPGIGNNAKZBEDY-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1cncc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997863565 704770483 /nfs/dbraw/zinc/77/04/83/704770483.db2.gz AUTMHTNAYKMKOV-QGZVFWFLSA-N 2 1 333.480 1.233 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000997865371 704772484 /nfs/dbraw/zinc/77/24/84/704772484.db2.gz NLBSQXIMUVBAOM-HNNXBMFYSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000997865371 704772485 /nfs/dbraw/zinc/77/24/85/704772485.db2.gz NLBSQXIMUVBAOM-HNNXBMFYSA-N 2 1 349.479 1.445 20 0 EDADMP C[C@@H]1CN(Cc2coc(C3CC3)n2)CC[C@@H]1NC(=O)CN1CCCC1 ZINC000944942560 704794712 /nfs/dbraw/zinc/79/47/12/704794712.db2.gz BCJMUXQSHJZGRL-PBHICJAKSA-N 2 1 346.475 1.974 20 0 EDADMP Cc1ccnc(CN2CC[C@@H](NC(=O)CN3CCCC3)[C@@H](C)C2)n1 ZINC000944943396 704795810 /nfs/dbraw/zinc/79/58/10/704795810.db2.gz HJKONNGKCFNRNU-GOEBONIOSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(Cc2ncc(C)cn2)C[C@@H]1C ZINC000944966362 704838557 /nfs/dbraw/zinc/83/85/57/704838557.db2.gz YMEKGQSQAXBUSU-GOEBONIOSA-N 2 1 342.447 1.317 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC[C@@H]1CCOC1 ZINC001032573117 704946462 /nfs/dbraw/zinc/94/64/62/704946462.db2.gz AGVUZTOMLJGEAA-OWSLCNJRSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@@H]1CCOC1 ZINC001032573117 704946468 /nfs/dbraw/zinc/94/64/68/704946468.db2.gz AGVUZTOMLJGEAA-OWSLCNJRSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@@H]1CCOC1 ZINC001032573117 704946474 /nfs/dbraw/zinc/94/64/74/704946474.db2.gz AGVUZTOMLJGEAA-OWSLCNJRSA-N 2 1 335.492 1.573 20 0 EDADMP Cc1nnc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC000998081224 705301480 /nfs/dbraw/zinc/30/14/80/705301480.db2.gz HDWCLEATGSVUKZ-ZDUSSCGKSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC000998081553 705301903 /nfs/dbraw/zinc/30/19/03/705301903.db2.gz JKLYYBDXSFVFDS-KBPBESRZSA-N 2 1 349.479 1.609 20 0 EDADMP CCc1nocc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000998080516 705306345 /nfs/dbraw/zinc/30/63/45/705306345.db2.gz BXNQQCDYWCEZDZ-RHSMWYFYSA-N 2 1 348.491 1.763 20 0 EDADMP CCc1cnc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000998082540 705310136 /nfs/dbraw/zinc/31/01/36/705310136.db2.gz QQJKTBBUZFPNQR-OAHLLOKOSA-N 2 1 348.491 1.907 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000998083026 705310998 /nfs/dbraw/zinc/31/09/98/705310998.db2.gz SVQMVYJOZQADFF-OAHLLOKOSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1ccnc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000998083072 705311745 /nfs/dbraw/zinc/31/17/45/705311745.db2.gz UKDCXSSCFXUUMS-OAHLLOKOSA-N 2 1 345.491 1.455 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC[C@@H]3CCCCO3)C2)CC1 ZINC001015898517 705420944 /nfs/dbraw/zinc/42/09/44/705420944.db2.gz FRJDRPNOWHVAIZ-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC000998215488 705536549 /nfs/dbraw/zinc/53/65/49/705536549.db2.gz AFRXEVFWKHFRSK-ROUUACIJSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1nc([C@@H](C)NCC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000998216251 705537831 /nfs/dbraw/zinc/53/78/31/705537831.db2.gz FOMCZQFBKQVUNX-CJNGLKHVSA-N 2 1 349.479 1.609 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000998216251 705537834 /nfs/dbraw/zinc/53/78/34/705537834.db2.gz FOMCZQFBKQVUNX-CJNGLKHVSA-N 2 1 349.479 1.609 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000998216251 705537837 /nfs/dbraw/zinc/53/78/37/705537837.db2.gz FOMCZQFBKQVUNX-CJNGLKHVSA-N 2 1 349.479 1.609 20 0 EDADMP Cc1oncc1C[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000998216617 705539058 /nfs/dbraw/zinc/53/90/58/705539058.db2.gz IMOKCASNFYFBKB-MRXNPFEDSA-N 2 1 334.464 1.653 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]Cc3cncs3)CC2)C1 ZINC000998217676 705540377 /nfs/dbraw/zinc/54/03/77/705540377.db2.gz QNVMCDNWQVNVDF-HNNXBMFYSA-N 2 1 336.505 1.813 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nncn2C)CC1 ZINC000998286188 705682035 /nfs/dbraw/zinc/68/20/35/705682035.db2.gz HYWIFDYLVLHJDX-INIZCTEOSA-N 2 1 348.495 1.018 20 0 EDADMP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001032629665 705753148 /nfs/dbraw/zinc/75/31/48/705753148.db2.gz HXHNVVJCHYVJAG-GJZGRUSLSA-N 2 1 332.448 1.969 20 0 EDADMP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001032629665 705753149 /nfs/dbraw/zinc/75/31/49/705753149.db2.gz HXHNVVJCHYVJAG-GJZGRUSLSA-N 2 1 332.448 1.969 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]CCc2ccccc2)C1 ZINC000998583034 706019007 /nfs/dbraw/zinc/01/90/07/706019007.db2.gz NKHRHTIJJPRDEY-ABHNRTSZSA-N 2 1 331.460 1.139 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CCc2ccccc2)C1 ZINC000998583034 706019008 /nfs/dbraw/zinc/01/90/08/706019008.db2.gz NKHRHTIJJPRDEY-ABHNRTSZSA-N 2 1 331.460 1.139 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)sc1C ZINC000998724451 706156186 /nfs/dbraw/zinc/15/61/86/706156186.db2.gz UEHPVZQFKRWMPC-LSDHHAIUSA-N 2 1 336.505 1.935 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnns2)C1 ZINC000998762383 706200709 /nfs/dbraw/zinc/20/07/09/706200709.db2.gz CQJNYFDYUWFXCB-PIMMBPRGSA-N 2 1 337.493 1.490 20 0 EDADMP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998765139 706204482 /nfs/dbraw/zinc/20/44/82/706204482.db2.gz VYQOTFQMMVHXIP-JCYILVPMSA-N 2 1 334.464 1.935 20 0 EDADMP CCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000998825975 706272638 /nfs/dbraw/zinc/27/26/38/706272638.db2.gz NZNGCOKFMFGSMK-RTBURBONSA-N 2 1 345.487 1.660 20 0 EDADMP CCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000998825975 706272639 /nfs/dbraw/zinc/27/26/39/706272639.db2.gz NZNGCOKFMFGSMK-RTBURBONSA-N 2 1 345.487 1.660 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)ncn2)C1 ZINC000998866497 706296518 /nfs/dbraw/zinc/29/65/18/706296518.db2.gz KEXUVCNGAKYPOL-VMWRSERWSA-N 2 1 345.491 1.738 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2CC([NH2+]Cc3ncccn3)C2)C1 ZINC000998898997 706326870 /nfs/dbraw/zinc/32/68/70/706326870.db2.gz PDGMYQZFMTZJRO-GTPINHCMSA-N 2 1 345.491 1.534 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2CC([NH2+]Cc3ncccn3)C2)C1 ZINC000998898997 706326872 /nfs/dbraw/zinc/32/68/72/706326872.db2.gz PDGMYQZFMTZJRO-GTPINHCMSA-N 2 1 345.491 1.534 20 0 EDADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC000998993480 706425527 /nfs/dbraw/zinc/42/55/27/706425527.db2.gz FBCUCQVFCIIOJV-UYSNPLJNSA-N 2 1 347.463 1.049 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC000999834863 707468108 /nfs/dbraw/zinc/46/81/08/707468108.db2.gz YQJBNNMTVXJIAN-UHFFFAOYSA-N 2 1 349.479 1.542 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999036327 706451333 /nfs/dbraw/zinc/45/13/33/706451333.db2.gz STDSNYAZMWOSOS-VMWRSERWSA-N 2 1 347.507 1.620 20 0 EDADMP COc1cccc(C[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC000999128333 706529792 /nfs/dbraw/zinc/52/97/92/706529792.db2.gz XPUXQBQRNLXBAM-UHFFFAOYSA-N 2 1 343.431 1.374 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)ccn1 ZINC000999319085 706818713 /nfs/dbraw/zinc/81/87/13/706818713.db2.gz UALZRGZCRGTTPG-MRXNPFEDSA-N 2 1 343.431 1.527 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cncn3C)C2)C1 ZINC000999349202 706861556 /nfs/dbraw/zinc/86/15/56/706861556.db2.gz ROJPLQVCYIQRMC-IRXDYDNUSA-N 2 1 347.507 1.479 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cn2)C1)C1CCC1 ZINC000999366395 706880348 /nfs/dbraw/zinc/88/03/48/706880348.db2.gz XWJCZIOWRNFIMD-MRXNPFEDSA-N 2 1 334.439 1.786 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999368072 706881821 /nfs/dbraw/zinc/88/18/21/706881821.db2.gz FLVIKNLBZCBIOO-HZPDHXFCSA-N 2 1 342.447 1.238 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000999402556 706911043 /nfs/dbraw/zinc/91/10/43/706911043.db2.gz SNCPVVWGSRKYTR-HOTGVXAUSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC000999402556 706911044 /nfs/dbraw/zinc/91/10/44/706911044.db2.gz SNCPVVWGSRKYTR-HOTGVXAUSA-N 2 1 334.464 1.938 20 0 EDADMP CCn1nncc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000999402939 706911340 /nfs/dbraw/zinc/91/13/40/706911340.db2.gz LRMYMSYWGDDXAE-UHFFFAOYSA-N 2 1 348.495 1.109 20 0 EDADMP Cn1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC000999403189 706911792 /nfs/dbraw/zinc/91/17/92/706911792.db2.gz VAZXNFPULFPGPG-IRXDYDNUSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000999409878 706919922 /nfs/dbraw/zinc/91/99/22/706919922.db2.gz UHMWCSHIVIBTPH-UHFFFAOYSA-N 2 1 345.491 1.596 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000999505591 707003093 /nfs/dbraw/zinc/00/30/93/707003093.db2.gz KHYXNGMQHBGASD-ABHNRTSZSA-N 2 1 347.507 1.762 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1C ZINC000999515128 707013925 /nfs/dbraw/zinc/01/39/25/707013925.db2.gz XJRLFFDCDQAKIP-DOTOQJQBSA-N 2 1 333.480 1.293 20 0 EDADMP Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999515543 707014604 /nfs/dbraw/zinc/01/46/04/707014604.db2.gz YFUZNJCCJPLABD-WMZOPIPTSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999515169 707014676 /nfs/dbraw/zinc/01/46/76/707014676.db2.gz YFUZNJCCJPLABD-FUHWJXTLSA-N 2 1 330.476 1.955 20 0 EDADMP O=C(N1CCC[C@H]([NH2+]Cc2cnon2)C1)C12CCC[NH+](CCC1)C2 ZINC000999488286 707024170 /nfs/dbraw/zinc/02/41/70/707024170.db2.gz DNOSAQBYDXCXGG-AWEZNQCLSA-N 2 1 333.436 1.026 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC000999682149 707167296 /nfs/dbraw/zinc/16/72/96/707167296.db2.gz LOYGAKNNRZCNKG-GTPINHCMSA-N 2 1 346.475 1.511 20 0 EDADMP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946710190 707181712 /nfs/dbraw/zinc/18/17/12/707181712.db2.gz ILLGAWUJNXADQZ-ZACQAIPSSA-N 2 1 337.508 1.412 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776783 707193521 /nfs/dbraw/zinc/19/35/21/707193521.db2.gz SNHTZRCXDMAMKD-CALCHBBNSA-N 2 1 337.508 1.535 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776783 707193523 /nfs/dbraw/zinc/19/35/23/707193523.db2.gz SNHTZRCXDMAMKD-CALCHBBNSA-N 2 1 337.508 1.535 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776783 707193527 /nfs/dbraw/zinc/19/35/27/707193527.db2.gz SNHTZRCXDMAMKD-CALCHBBNSA-N 2 1 337.508 1.535 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC000999688287 707241830 /nfs/dbraw/zinc/24/18/30/707241830.db2.gz KCIKFVLYPBLUHH-GRTSSRMGSA-N 2 1 329.435 1.953 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000999727523 707270220 /nfs/dbraw/zinc/27/02/20/707270220.db2.gz QCEUFXNQFSPPTQ-MSOLQXFVSA-N 2 1 348.491 1.713 20 0 EDADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033271728 707325232 /nfs/dbraw/zinc/32/52/32/707325232.db2.gz KKHOFSXNCFLGAF-RHSMWYFYSA-N 2 1 328.416 1.517 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033183180 707358970 /nfs/dbraw/zinc/35/89/70/707358970.db2.gz WUZKHWDGVCZQHA-SJORKVTESA-N 2 1 335.492 1.432 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295738 707422604 /nfs/dbraw/zinc/42/26/04/707422604.db2.gz MQQYQRFBHSHUHY-MSOLQXFVSA-N 2 1 346.475 1.890 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295738 707422608 /nfs/dbraw/zinc/42/26/08/707422608.db2.gz MQQYQRFBHSHUHY-MSOLQXFVSA-N 2 1 346.475 1.890 20 0 EDADMP CC(C)c1nccn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2CC1 ZINC000946800833 707453061 /nfs/dbraw/zinc/45/30/61/707453061.db2.gz NJDNRYXZDMDFQD-ZACQAIPSSA-N 2 1 348.491 1.558 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]2CC1 ZINC000946800833 707453065 /nfs/dbraw/zinc/45/30/65/707453065.db2.gz NJDNRYXZDMDFQD-ZACQAIPSSA-N 2 1 348.491 1.558 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2CC1 ZINC000946800833 707453068 /nfs/dbraw/zinc/45/30/68/707453068.db2.gz NJDNRYXZDMDFQD-ZACQAIPSSA-N 2 1 348.491 1.558 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC000999835967 707470553 /nfs/dbraw/zinc/47/05/53/707470553.db2.gz ICOMXPKWBKOBDV-UHFFFAOYSA-N 2 1 326.391 1.816 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001033308217 707472949 /nfs/dbraw/zinc/47/29/49/707472949.db2.gz FHUJAZLPBAGXQJ-YOEHRIQHSA-N 2 1 328.416 1.399 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001033320991 707517589 /nfs/dbraw/zinc/51/75/89/707517589.db2.gz YXZCWGHMWQOVTF-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)nc1 ZINC000999876362 707523086 /nfs/dbraw/zinc/52/30/86/707523086.db2.gz LTZNOTHVBWZCDH-INIZCTEOSA-N 2 1 345.491 1.740 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3CC)C2)o1 ZINC000999876788 707524838 /nfs/dbraw/zinc/52/48/38/707524838.db2.gz SBTOZGUFLPETET-YMAMQOFZSA-N 2 1 349.479 1.585 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3CC)C2)o1 ZINC000999876788 707524844 /nfs/dbraw/zinc/52/48/44/707524844.db2.gz SBTOZGUFLPETET-YMAMQOFZSA-N 2 1 349.479 1.585 20 0 EDADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946758477 707600120 /nfs/dbraw/zinc/60/01/20/707600120.db2.gz LMFYGZATHJETCN-RYQLBKOJSA-N 2 1 337.508 1.534 20 0 EDADMP C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004927933 707672734 /nfs/dbraw/zinc/67/27/34/707672734.db2.gz OPGJWYGQNNFXLT-RHSMWYFYSA-N 2 1 348.495 1.016 20 0 EDADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946764895 707765236 /nfs/dbraw/zinc/76/52/36/707765236.db2.gz DELGPZKUROZJEW-WNRNVDISSA-N 2 1 339.524 1.778 20 0 EDADMP CN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033416383 707796136 /nfs/dbraw/zinc/79/61/36/707796136.db2.gz PEOYVVQNFRLRTG-YOEHRIQHSA-N 2 1 329.460 1.114 20 0 EDADMP CN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@H]1CC[NH+](CCCO)C1 ZINC001033416383 707796140 /nfs/dbraw/zinc/79/61/40/707796140.db2.gz PEOYVVQNFRLRTG-YOEHRIQHSA-N 2 1 329.460 1.114 20 0 EDADMP CN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H]1CC[NH+](CCCO)C1 ZINC001033416383 707796141 /nfs/dbraw/zinc/79/61/41/707796141.db2.gz PEOYVVQNFRLRTG-YOEHRIQHSA-N 2 1 329.460 1.114 20 0 EDADMP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417267 707799760 /nfs/dbraw/zinc/79/97/60/707799760.db2.gz VSPPSWBMDHIKLU-PBHICJAKSA-N 2 1 329.460 1.378 20 0 EDADMP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033417267 707799762 /nfs/dbraw/zinc/79/97/62/707799762.db2.gz VSPPSWBMDHIKLU-PBHICJAKSA-N 2 1 329.460 1.378 20 0 EDADMP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033417267 707799766 /nfs/dbraw/zinc/79/97/66/707799766.db2.gz VSPPSWBMDHIKLU-PBHICJAKSA-N 2 1 329.460 1.378 20 0 EDADMP Cc1ccncc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033417879 707801231 /nfs/dbraw/zinc/80/12/31/707801231.db2.gz BBKBADAOZWGUIF-QAPCUYQASA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ccncc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033417879 707801234 /nfs/dbraw/zinc/80/12/34/707801234.db2.gz BBKBADAOZWGUIF-QAPCUYQASA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033417879 707801240 /nfs/dbraw/zinc/80/12/40/707801240.db2.gz BBKBADAOZWGUIF-QAPCUYQASA-N 2 1 330.476 1.765 20 0 EDADMP CCc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033418441 707803682 /nfs/dbraw/zinc/80/36/82/707803682.db2.gz CFFNZASPUQSESM-HOCLYGCPSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033418441 707803687 /nfs/dbraw/zinc/80/36/87/707803687.db2.gz CFFNZASPUQSESM-HOCLYGCPSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033418441 707803692 /nfs/dbraw/zinc/80/36/92/707803692.db2.gz CFFNZASPUQSESM-HOCLYGCPSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033418441 707803698 /nfs/dbraw/zinc/80/36/98/707803698.db2.gz CFFNZASPUQSESM-HOCLYGCPSA-N 2 1 348.491 1.920 20 0 EDADMP COc1ccc(C)cc1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032781224 707966400 /nfs/dbraw/zinc/96/64/00/707966400.db2.gz OFGRVUZOHCWILZ-SZMVWBNQSA-N 2 1 343.471 1.740 20 0 EDADMP COc1ccc(C)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032781224 707966403 /nfs/dbraw/zinc/96/64/03/707966403.db2.gz OFGRVUZOHCWILZ-SZMVWBNQSA-N 2 1 343.471 1.740 20 0 EDADMP COc1ccc(C)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032781224 707966405 /nfs/dbraw/zinc/96/64/05/707966405.db2.gz OFGRVUZOHCWILZ-SZMVWBNQSA-N 2 1 343.471 1.740 20 0 EDADMP COc1ccc(C)cc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032781224 707966408 /nfs/dbraw/zinc/96/64/08/707966408.db2.gz OFGRVUZOHCWILZ-SZMVWBNQSA-N 2 1 343.471 1.740 20 0 EDADMP COc1ccc(C)cc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032781224 707966411 /nfs/dbraw/zinc/96/64/11/707966411.db2.gz OFGRVUZOHCWILZ-SZMVWBNQSA-N 2 1 343.471 1.740 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc3n2CCOC3)[C@H](C)C1 ZINC000921746443 707967564 /nfs/dbraw/zinc/96/75/64/707967564.db2.gz DBAFLVYPNXFQAX-WBVHZDCISA-N 2 1 336.480 1.640 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc3n2CCOC3)[C@H](C)C1 ZINC000921746443 707967568 /nfs/dbraw/zinc/96/75/68/707967568.db2.gz DBAFLVYPNXFQAX-WBVHZDCISA-N 2 1 336.480 1.640 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCOc2ccccc2)C1 ZINC001032781513 707968411 /nfs/dbraw/zinc/96/84/11/707968411.db2.gz YBROFGOULIEYSU-ULQDDVLXSA-N 2 1 329.444 1.302 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccccc2)C1 ZINC001032781513 707968414 /nfs/dbraw/zinc/96/84/14/707968414.db2.gz YBROFGOULIEYSU-ULQDDVLXSA-N 2 1 329.444 1.302 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccccc2)C1 ZINC001032781513 707968418 /nfs/dbraw/zinc/96/84/18/707968418.db2.gz YBROFGOULIEYSU-ULQDDVLXSA-N 2 1 329.444 1.302 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOc2ccccc2)C1 ZINC001032781513 707968421 /nfs/dbraw/zinc/96/84/21/707968421.db2.gz YBROFGOULIEYSU-ULQDDVLXSA-N 2 1 329.444 1.302 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOc2ccccc2)C1 ZINC001032781513 707968424 /nfs/dbraw/zinc/96/84/24/707968424.db2.gz YBROFGOULIEYSU-ULQDDVLXSA-N 2 1 329.444 1.302 20 0 EDADMP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033539986 708196680 /nfs/dbraw/zinc/19/66/80/708196680.db2.gz NDUFEXPYUDWNRY-WMLDXEAASA-N 2 1 343.431 1.449 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033539986 708196681 /nfs/dbraw/zinc/19/66/81/708196681.db2.gz NDUFEXPYUDWNRY-WMLDXEAASA-N 2 1 343.431 1.449 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582951 708266696 /nfs/dbraw/zinc/26/66/96/708266696.db2.gz RTBAMMYVXIQLHB-CVEARBPZSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033582951 708266698 /nfs/dbraw/zinc/26/66/98/708266698.db2.gz RTBAMMYVXIQLHB-CVEARBPZSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033582951 708266700 /nfs/dbraw/zinc/26/67/00/708266700.db2.gz RTBAMMYVXIQLHB-CVEARBPZSA-N 2 1 334.464 1.666 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001832271 708357945 /nfs/dbraw/zinc/35/79/45/708357945.db2.gz DDDCNOFNLSBDJV-PBHICJAKSA-N 2 1 348.491 1.617 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)cn1 ZINC001033657938 708429616 /nfs/dbraw/zinc/42/96/16/708429616.db2.gz OSDYFCIJOIQYFF-KRWDZBQOSA-N 2 1 333.480 1.074 20 0 EDADMP CN(C)c1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033664276 708445846 /nfs/dbraw/zinc/44/58/46/708445846.db2.gz FCFMYAPFVKBXPJ-IEBWSBKVSA-N 2 1 344.503 1.737 20 0 EDADMP CN(C)c1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001033664276 708445847 /nfs/dbraw/zinc/44/58/47/708445847.db2.gz FCFMYAPFVKBXPJ-IEBWSBKVSA-N 2 1 344.503 1.737 20 0 EDADMP CN(C)c1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033664276 708445850 /nfs/dbraw/zinc/44/58/50/708445850.db2.gz FCFMYAPFVKBXPJ-IEBWSBKVSA-N 2 1 344.503 1.737 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033670190 708459832 /nfs/dbraw/zinc/45/98/32/708459832.db2.gz UCIWRJKCUCMYFJ-AWEZNQCLSA-N 2 1 326.391 1.770 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033670190 708459837 /nfs/dbraw/zinc/45/98/37/708459837.db2.gz UCIWRJKCUCMYFJ-AWEZNQCLSA-N 2 1 326.391 1.770 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001033673283 708465439 /nfs/dbraw/zinc/46/54/39/708465439.db2.gz WWDCEYFEWDCLFZ-LSDHHAIUSA-N 2 1 345.434 1.285 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001033673283 708465442 /nfs/dbraw/zinc/46/54/42/708465442.db2.gz WWDCEYFEWDCLFZ-LSDHHAIUSA-N 2 1 345.434 1.285 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001033673283 708465445 /nfs/dbraw/zinc/46/54/45/708465445.db2.gz WWDCEYFEWDCLFZ-LSDHHAIUSA-N 2 1 345.434 1.285 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001033673283 708465448 /nfs/dbraw/zinc/46/54/48/708465448.db2.gz WWDCEYFEWDCLFZ-LSDHHAIUSA-N 2 1 345.434 1.285 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033658767 708469771 /nfs/dbraw/zinc/46/97/71/708469771.db2.gz UHAGGDCTFDCEFW-QZTJIDSGSA-N 2 1 337.508 1.556 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC001033659145 708470455 /nfs/dbraw/zinc/47/04/55/708470455.db2.gz VMHQZNBGKPYSON-MOPGFXCFSA-N 2 1 345.487 1.219 20 0 EDADMP CCc1cnc(CN2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002119471 708632515 /nfs/dbraw/zinc/63/25/15/708632515.db2.gz ALMNPHUFIADWIE-OAHLLOKOSA-N 2 1 334.464 1.517 20 0 EDADMP CCc1cnc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002119471 708632518 /nfs/dbraw/zinc/63/25/18/708632518.db2.gz ALMNPHUFIADWIE-OAHLLOKOSA-N 2 1 334.464 1.517 20 0 EDADMP CCc1cnc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002119471 708632520 /nfs/dbraw/zinc/63/25/20/708632520.db2.gz ALMNPHUFIADWIE-OAHLLOKOSA-N 2 1 334.464 1.517 20 0 EDADMP CCc1noc([C@@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001002126616 708642002 /nfs/dbraw/zinc/64/20/02/708642002.db2.gz OMFKUCSSCONAHW-UKRRQHHQSA-N 2 1 349.479 1.473 20 0 EDADMP CCc1noc([C@@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001002126616 708642005 /nfs/dbraw/zinc/64/20/05/708642005.db2.gz OMFKUCSSCONAHW-UKRRQHHQSA-N 2 1 349.479 1.473 20 0 EDADMP CCN(C(=O)[C@H]1CN(C)CCO1)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033789386 708699937 /nfs/dbraw/zinc/69/99/37/708699937.db2.gz NVWGZKWDDKVTAZ-HUUCEWRRSA-N 2 1 345.434 1.285 20 0 EDADMP COC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005385765 708827648 /nfs/dbraw/zinc/82/76/48/708827648.db2.gz VZEOXLOMOGKMCL-RDJZCZTQSA-N 2 1 325.497 1.817 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001033829644 708850275 /nfs/dbraw/zinc/85/02/75/708850275.db2.gz AGBQCNILABXBDW-SJLPKXTDSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001033829644 708850280 /nfs/dbraw/zinc/85/02/80/708850280.db2.gz AGBQCNILABXBDW-SJLPKXTDSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033839500 708869566 /nfs/dbraw/zinc/86/95/66/708869566.db2.gz XCTNTCIKRWBZQX-INIZCTEOSA-N 2 1 335.496 1.637 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC001005399867 708886512 /nfs/dbraw/zinc/88/65/12/708886512.db2.gz USXUQOAKQQDOOA-SFHVURJKSA-N 2 1 346.475 1.748 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001002473389 709007317 /nfs/dbraw/zinc/00/73/17/709007317.db2.gz FUYSXFQQADMDLC-QGZVFWFLSA-N 2 1 347.507 1.813 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001002473389 709007320 /nfs/dbraw/zinc/00/73/20/709007320.db2.gz FUYSXFQQADMDLC-QGZVFWFLSA-N 2 1 347.507 1.813 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001002476758 709013174 /nfs/dbraw/zinc/01/31/74/709013174.db2.gz TXZUGQLCZGUUSQ-HNNXBMFYSA-N 2 1 334.464 1.720 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001002476800 709013747 /nfs/dbraw/zinc/01/37/47/709013747.db2.gz UQSHRXDNNWTSHW-QGZVFWFLSA-N 2 1 343.431 1.398 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001002477311 709014196 /nfs/dbraw/zinc/01/41/96/709014196.db2.gz YINZMGQPPCSTKY-ZWKOTPCHSA-N 2 1 331.460 1.395 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001002523594 709078258 /nfs/dbraw/zinc/07/82/58/709078258.db2.gz PPQTVOGLXMEPKP-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001002523594 709078259 /nfs/dbraw/zinc/07/82/59/709078259.db2.gz PPQTVOGLXMEPKP-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033940950 709147500 /nfs/dbraw/zinc/14/75/00/709147500.db2.gz MFONIAPBZYKNOX-GOSISDBHSA-N 2 1 348.466 1.985 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033940950 709147502 /nfs/dbraw/zinc/14/75/02/709147502.db2.gz MFONIAPBZYKNOX-GOSISDBHSA-N 2 1 348.466 1.985 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001033941251 709148002 /nfs/dbraw/zinc/14/80/02/709148002.db2.gz OENFYNCHHDOUGO-INIZCTEOSA-N 2 1 334.464 1.748 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001033941251 709148004 /nfs/dbraw/zinc/14/80/04/709148004.db2.gz OENFYNCHHDOUGO-INIZCTEOSA-N 2 1 334.464 1.748 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC001034043902 709295399 /nfs/dbraw/zinc/29/53/99/709295399.db2.gz YEEUOUDUJJYEJG-AEFFLSMTSA-N 2 1 330.476 1.765 20 0 EDADMP C[C@@]12CN(C(=O)[C@H]3C[NH2+]CCOC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702047575 709309856 /nfs/dbraw/zinc/30/98/56/709309856.db2.gz BMBUKXPMDLOYNP-CMKODMSKSA-N 2 1 343.471 1.203 20 0 EDADMP C[C@]12CN(CCN3CC[NH2+]CC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702087296 709330687 /nfs/dbraw/zinc/33/06/87/709330687.db2.gz SHBODUFOASCFLG-VQTJNVASSA-N 2 1 328.504 1.346 20 0 EDADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000702087296 709330690 /nfs/dbraw/zinc/33/06/90/709330690.db2.gz SHBODUFOASCFLG-VQTJNVASSA-N 3 1 328.504 1.346 20 0 EDADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000702087296 709330693 /nfs/dbraw/zinc/33/06/93/709330693.db2.gz SHBODUFOASCFLG-VQTJNVASSA-N 3 1 328.504 1.346 20 0 EDADMP C[C@]12C[NH+](CCN3CC[NH2+]CC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702087296 709330695 /nfs/dbraw/zinc/33/06/95/709330695.db2.gz SHBODUFOASCFLG-VQTJNVASSA-N 3 1 328.504 1.346 20 0 EDADMP C[C@]12C[NH+](CCN3CC[NH2+]CC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702087296 709330697 /nfs/dbraw/zinc/33/06/97/709330697.db2.gz SHBODUFOASCFLG-VQTJNVASSA-N 3 1 328.504 1.346 20 0 EDADMP C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000702087296 709330699 /nfs/dbraw/zinc/33/06/99/709330699.db2.gz SHBODUFOASCFLG-VQTJNVASSA-N 2 1 328.504 1.346 20 0 EDADMP C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000702087296 709330701 /nfs/dbraw/zinc/33/07/01/709330701.db2.gz SHBODUFOASCFLG-VQTJNVASSA-N 2 1 328.504 1.346 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2CC1 ZINC000946824488 709346753 /nfs/dbraw/zinc/34/67/53/709346753.db2.gz PFMPKROYKBNBIQ-KDURUIRLSA-N 2 1 349.519 1.679 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2CC1 ZINC000946824488 709346756 /nfs/dbraw/zinc/34/67/56/709346756.db2.gz PFMPKROYKBNBIQ-KDURUIRLSA-N 2 1 349.519 1.679 20 0 EDADMP Cn1cc(CC[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001034132928 709403149 /nfs/dbraw/zinc/40/31/49/709403149.db2.gz VEVZKMPKHYUNDX-IRXDYDNUSA-N 2 1 333.480 1.028 20 0 EDADMP Cn1cc(CC[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001034132928 709403151 /nfs/dbraw/zinc/40/31/51/709403151.db2.gz VEVZKMPKHYUNDX-IRXDYDNUSA-N 2 1 333.480 1.028 20 0 EDADMP Cn1cc(CC[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001034132928 709403153 /nfs/dbraw/zinc/40/31/53/709403153.db2.gz VEVZKMPKHYUNDX-IRXDYDNUSA-N 2 1 333.480 1.028 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccnn3C)C2)CC[N@@H+]1C ZINC001034214978 709568212 /nfs/dbraw/zinc/56/82/12/709568212.db2.gz SSOOKCXNBFIYPU-BFYDXBDKSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccnn3C)C2)CC[N@H+]1C ZINC001034214978 709568213 /nfs/dbraw/zinc/56/82/13/709568213.db2.gz SSOOKCXNBFIYPU-BFYDXBDKSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccnn3C)C2)CC[NH+]1C ZINC001034214978 709568215 /nfs/dbraw/zinc/56/82/15/709568215.db2.gz SSOOKCXNBFIYPU-BFYDXBDKSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccnn3C)C2)CC[NH+]1C ZINC001034214978 709568216 /nfs/dbraw/zinc/56/82/16/709568216.db2.gz SSOOKCXNBFIYPU-BFYDXBDKSA-N 2 1 333.480 1.231 20 0 EDADMP COCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289560 709713278 /nfs/dbraw/zinc/71/32/78/709713278.db2.gz VFZKGYCFXAVNGB-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP COCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034289560 709713281 /nfs/dbraw/zinc/71/32/81/709713281.db2.gz VFZKGYCFXAVNGB-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP COCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034289560 709713284 /nfs/dbraw/zinc/71/32/84/709713284.db2.gz VFZKGYCFXAVNGB-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001034309625 709751786 /nfs/dbraw/zinc/75/17/86/709751786.db2.gz NPRHPSPGCQKDKK-IRXDYDNUSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001034309625 709751787 /nfs/dbraw/zinc/75/17/87/709751787.db2.gz NPRHPSPGCQKDKK-IRXDYDNUSA-N 2 1 334.464 1.731 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC3CC3)C2)C1 ZINC001034362279 709878696 /nfs/dbraw/zinc/87/86/96/709878696.db2.gz DYKWQXKCHJIFMI-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC3CC3)C2)C1 ZINC001034362279 709878702 /nfs/dbraw/zinc/87/87/02/709878702.db2.gz DYKWQXKCHJIFMI-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCC3CC3)C2)C1 ZINC001034362279 709878708 /nfs/dbraw/zinc/87/87/08/709878708.db2.gz DYKWQXKCHJIFMI-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCC3CC3)C2)C1 ZINC001034362279 709878712 /nfs/dbraw/zinc/87/87/12/709878712.db2.gz DYKWQXKCHJIFMI-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034376882 709897073 /nfs/dbraw/zinc/89/70/73/709897073.db2.gz HRXWEERZUDNOAA-MRXNPFEDSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1oncc1C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386593 709914953 /nfs/dbraw/zinc/91/49/53/709914953.db2.gz SXKSKDRUSTWXBO-KRWDZBQOSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3ccnn3C)C2)C1 ZINC001034402971 709949541 /nfs/dbraw/zinc/94/95/41/709949541.db2.gz UAFGTSRZIWDFOZ-HOTGVXAUSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3ccnn3C)C2)C1 ZINC001034402971 709949542 /nfs/dbraw/zinc/94/95/42/709949542.db2.gz UAFGTSRZIWDFOZ-HOTGVXAUSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](Cc3ccnn3C)C2)C1 ZINC001034402971 709949545 /nfs/dbraw/zinc/94/95/45/709949545.db2.gz UAFGTSRZIWDFOZ-HOTGVXAUSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](Cc3ccnn3C)C2)C1 ZINC001034402971 709949548 /nfs/dbraw/zinc/94/95/48/709949548.db2.gz UAFGTSRZIWDFOZ-HOTGVXAUSA-N 2 1 333.480 1.233 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCO)C1 ZINC001034436652 710003062 /nfs/dbraw/zinc/00/30/62/710003062.db2.gz AMXCGOWXHRWXFG-DLBZAZTESA-N 2 1 325.497 1.602 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034436652 710003065 /nfs/dbraw/zinc/00/30/65/710003065.db2.gz AMXCGOWXHRWXFG-DLBZAZTESA-N 2 1 325.497 1.602 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1 ZINC001034436652 710003068 /nfs/dbraw/zinc/00/30/68/710003068.db2.gz AMXCGOWXHRWXFG-DLBZAZTESA-N 2 1 325.497 1.602 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003167918 710079712 /nfs/dbraw/zinc/07/97/12/710079712.db2.gz PWXXXWRCSBOCHN-GOSISDBHSA-N 2 1 330.476 1.955 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3cccnc3)C2)C1 ZINC001034491101 710110816 /nfs/dbraw/zinc/11/08/16/710110816.db2.gz QKYYGWODKGLKMQ-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@H+](Cc3cccnc3)C2)C1 ZINC001034491101 710110818 /nfs/dbraw/zinc/11/08/18/710110818.db2.gz QKYYGWODKGLKMQ-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3cccnc3)C2)C1 ZINC001034491101 710110821 /nfs/dbraw/zinc/11/08/21/710110821.db2.gz QKYYGWODKGLKMQ-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034491473 710111386 /nfs/dbraw/zinc/11/13/86/710111386.db2.gz SNSVKBKWYJKYFX-MRXNPFEDSA-N 2 1 343.475 1.352 20 0 EDADMP Cc1nccnc1C[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034491473 710111387 /nfs/dbraw/zinc/11/13/87/710111387.db2.gz SNSVKBKWYJKYFX-MRXNPFEDSA-N 2 1 343.475 1.352 20 0 EDADMP CO[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034491615 710112424 /nfs/dbraw/zinc/11/24/24/710112424.db2.gz VHFXMRMVVAVHTO-CABCVRRESA-N 2 1 334.464 1.767 20 0 EDADMP CO[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034491615 710112425 /nfs/dbraw/zinc/11/24/25/710112425.db2.gz VHFXMRMVVAVHTO-CABCVRRESA-N 2 1 334.464 1.767 20 0 EDADMP CCn1cc(CC[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034525268 710174412 /nfs/dbraw/zinc/17/44/12/710174412.db2.gz LEQAEAKAGHARIT-QZTJIDSGSA-N 2 1 347.507 1.368 20 0 EDADMP CCn1cc(CC[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034525268 710174413 /nfs/dbraw/zinc/17/44/13/710174413.db2.gz LEQAEAKAGHARIT-QZTJIDSGSA-N 2 1 347.507 1.368 20 0 EDADMP CCn1cc(CC[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034525268 710174414 /nfs/dbraw/zinc/17/44/14/710174414.db2.gz LEQAEAKAGHARIT-QZTJIDSGSA-N 2 1 347.507 1.368 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034525693 710176218 /nfs/dbraw/zinc/17/62/18/710176218.db2.gz OUYUVSPWMBBVCB-RDJZCZTQSA-N 2 1 333.480 1.151 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034525693 710176220 /nfs/dbraw/zinc/17/62/20/710176220.db2.gz OUYUVSPWMBBVCB-RDJZCZTQSA-N 2 1 333.480 1.151 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034525693 710176221 /nfs/dbraw/zinc/17/62/21/710176221.db2.gz OUYUVSPWMBBVCB-RDJZCZTQSA-N 2 1 333.480 1.151 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cncc(F)c3)C2)C1 ZINC001034525909 710176893 /nfs/dbraw/zinc/17/68/93/710176893.db2.gz RHYDCSPJCXTJPL-WBVHZDCISA-N 2 1 334.439 1.643 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cncc(F)c3)C2)C1 ZINC001034525909 710176896 /nfs/dbraw/zinc/17/68/96/710176896.db2.gz RHYDCSPJCXTJPL-WBVHZDCISA-N 2 1 334.439 1.643 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cncc(F)c3)C2)C1 ZINC001034525909 710176899 /nfs/dbraw/zinc/17/68/99/710176899.db2.gz RHYDCSPJCXTJPL-WBVHZDCISA-N 2 1 334.439 1.643 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cncc(F)c3)C2)C1 ZINC001034525909 710176901 /nfs/dbraw/zinc/17/69/01/710176901.db2.gz RHYDCSPJCXTJPL-WBVHZDCISA-N 2 1 334.439 1.643 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CCOc3ccccc3)C2)C1 ZINC001034526027 710177804 /nfs/dbraw/zinc/17/78/04/710177804.db2.gz RUVDPLPARJBPBL-ROUUACIJSA-N 2 1 345.487 1.988 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](CCOc3ccccc3)C2)C1 ZINC001034526027 710177805 /nfs/dbraw/zinc/17/78/05/710177805.db2.gz RUVDPLPARJBPBL-ROUUACIJSA-N 2 1 345.487 1.988 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCOc3ccccc3)C2)C1 ZINC001034526027 710177807 /nfs/dbraw/zinc/17/78/07/710177807.db2.gz RUVDPLPARJBPBL-ROUUACIJSA-N 2 1 345.487 1.988 20 0 EDADMP CCOC1CC(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001034529406 710183510 /nfs/dbraw/zinc/18/35/10/710183510.db2.gz ZOMIPISDMCMZDH-ADKAHSJRSA-N 2 1 337.508 1.868 20 0 EDADMP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003333245 710257405 /nfs/dbraw/zinc/25/74/05/710257405.db2.gz QIUBSIBQXFKQPI-RXHUYCNISA-N 2 1 335.492 1.476 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)C(C)(C)[NH+]3CCCC3)CC2)cn1 ZINC001003424964 710339880 /nfs/dbraw/zinc/33/98/80/710339880.db2.gz XHRGFFYPCJGQJD-UHFFFAOYSA-N 2 1 345.491 1.740 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC001003625209 710454534 /nfs/dbraw/zinc/45/45/34/710454534.db2.gz CNFLYZXQZMNXNJ-VQIMIIECSA-N 2 1 345.487 1.642 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001003627980 710457682 /nfs/dbraw/zinc/45/76/82/710457682.db2.gz LBPGMKOFLVRTBF-HIFRSBDPSA-N 2 1 345.434 1.476 20 0 EDADMP COC[C@H](C)[NH+]1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001003628669 710458735 /nfs/dbraw/zinc/45/87/35/710458735.db2.gz SNWIOTMJFUJEQE-KSSFIOAISA-N 2 1 343.487 1.814 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC001003634431 710462161 /nfs/dbraw/zinc/46/21/61/710462161.db2.gz KIBUEIRXFHSZDK-WMLDXEAASA-N 2 1 346.475 1.369 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC001003634431 710462163 /nfs/dbraw/zinc/46/21/63/710462163.db2.gz KIBUEIRXFHSZDK-WMLDXEAASA-N 2 1 346.475 1.369 20 0 EDADMP CCO[C@@H](CNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)C[NH+](C)C ZINC000922257882 710536747 /nfs/dbraw/zinc/53/67/47/710536747.db2.gz VPIDTRJHTCSOGZ-LSDHHAIUSA-N 2 1 328.501 1.373 20 0 EDADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001034713452 710845842 /nfs/dbraw/zinc/84/58/42/710845842.db2.gz RWZDDMKVASDGDP-BRWVUGGUSA-N 2 1 325.497 1.769 20 0 EDADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001034713452 710845847 /nfs/dbraw/zinc/84/58/47/710845847.db2.gz RWZDDMKVASDGDP-BRWVUGGUSA-N 2 1 325.497 1.769 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cn(C)nn3)CC2)CC[N@H+]1C ZINC001034714674 710849562 /nfs/dbraw/zinc/84/95/62/710849562.db2.gz DTDJHSCTQJUERB-VGWMRTNUSA-N 2 1 348.495 1.062 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001034737251 710949694 /nfs/dbraw/zinc/94/96/94/710949694.db2.gz HYMSLJFJKKUSDM-XIRDDKMYSA-N 2 1 345.491 1.786 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(N)=O)CC1 ZINC001034749245 710956341 /nfs/dbraw/zinc/95/63/41/710956341.db2.gz IXWXCPKXPPZOBU-FPCVCCKLSA-N 2 1 338.496 1.140 20 0 EDADMP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1)C(N)=O ZINC001034751577 710979808 /nfs/dbraw/zinc/97/98/08/710979808.db2.gz ZFGJWIMROUYFEB-RBSFLKMASA-N 2 1 349.479 1.287 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](NCc3noc(C4CC4)n3)CC2)C1 ZINC001034792690 711120136 /nfs/dbraw/zinc/12/01/36/711120136.db2.gz KSBSKEWKPBNDNL-RBSFLKMASA-N 2 1 347.463 1.416 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3noc(C4CC4)n3)CC2)C1 ZINC001034792690 711120142 /nfs/dbraw/zinc/12/01/42/711120142.db2.gz KSBSKEWKPBNDNL-RBSFLKMASA-N 2 1 347.463 1.416 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3noc(C4CC4)n3)CC2)C1 ZINC001034792690 711120149 /nfs/dbraw/zinc/12/01/49/711120149.db2.gz KSBSKEWKPBNDNL-RBSFLKMASA-N 2 1 347.463 1.416 20 0 EDADMP Cc1oncc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001034831028 711237431 /nfs/dbraw/zinc/23/74/31/711237431.db2.gz IAHZXLJCOCFSRH-QGZVFWFLSA-N 2 1 342.443 1.841 20 0 EDADMP CCc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001034884303 711287799 /nfs/dbraw/zinc/28/77/99/711287799.db2.gz DNMXIBHNYUUJIR-CABCVRRESA-N 2 1 334.464 1.720 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nccn1C ZINC001034953497 711417588 /nfs/dbraw/zinc/41/75/88/711417588.db2.gz BYRLJVYGZVXAMT-HZPDHXFCSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)c1cnccn1 ZINC001034957663 711429692 /nfs/dbraw/zinc/42/96/92/711429692.db2.gz DQFQBTRLAODQRZ-GOEBONIOSA-N 2 1 331.464 1.603 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cn(CC)nn2)CC[N@@H+]1C ZINC001034941540 711446710 /nfs/dbraw/zinc/44/67/10/711446710.db2.gz VCRRSTJJLXHXFO-IXDOHACOSA-N 2 1 348.495 1.109 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cn(CC)nn2)CC[N@H+]1C ZINC001034941540 711446712 /nfs/dbraw/zinc/44/67/12/711446712.db2.gz VCRRSTJJLXHXFO-IXDOHACOSA-N 2 1 348.495 1.109 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(N(C)C)n3)C2)[C@H]1C(C)C ZINC000922395624 711469081 /nfs/dbraw/zinc/46/90/81/711469081.db2.gz XOMKGUMUPQSXDR-YWTNHNAXSA-N 2 1 347.507 1.502 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001004141052 711540238 /nfs/dbraw/zinc/54/02/38/711540238.db2.gz BOJXXVOSAOIFIC-MRXNPFEDSA-N 2 1 331.460 1.728 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000922466463 711581934 /nfs/dbraw/zinc/58/19/34/711581934.db2.gz MAWZEAIWCRWIDV-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922466463 711581935 /nfs/dbraw/zinc/58/19/35/711581935.db2.gz MAWZEAIWCRWIDV-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000922466463 711581936 /nfs/dbraw/zinc/58/19/36/711581936.db2.gz MAWZEAIWCRWIDV-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946614520 711861222 /nfs/dbraw/zinc/86/12/22/711861222.db2.gz AOKJUONUWHGKGS-KSZLIROESA-N 2 1 337.508 1.414 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946614520 711861225 /nfs/dbraw/zinc/86/12/25/711861225.db2.gz AOKJUONUWHGKGS-KSZLIROESA-N 2 1 337.508 1.414 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946614520 711861227 /nfs/dbraw/zinc/86/12/27/711861227.db2.gz AOKJUONUWHGKGS-KSZLIROESA-N 2 1 337.508 1.414 20 0 EDADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]cn3)CC[C@@H]2C1 ZINC000946617292 711869450 /nfs/dbraw/zinc/86/94/50/711869450.db2.gz AOXCBYKPDVOAQD-HRCADAONSA-N 2 1 334.464 1.548 20 0 EDADMP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)CC[C@@H]2C1 ZINC000946617292 711869451 /nfs/dbraw/zinc/86/94/51/711869451.db2.gz AOXCBYKPDVOAQD-HRCADAONSA-N 2 1 334.464 1.548 20 0 EDADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)CC[C@@H]2C1 ZINC000946617292 711869452 /nfs/dbraw/zinc/86/94/52/711869452.db2.gz AOXCBYKPDVOAQD-HRCADAONSA-N 2 1 334.464 1.548 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([C@H]3CCC[NH+]3CCO)CC2)C1 ZINC001004543623 711954958 /nfs/dbraw/zinc/95/49/58/711954958.db2.gz QGFUWZQNDCDKKW-QGZVFWFLSA-N 2 1 337.508 1.414 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2CCC([C@H]3CCC[N@@H+]3CCO)CC2)C1 ZINC001004543623 711954959 /nfs/dbraw/zinc/95/49/59/711954959.db2.gz QGFUWZQNDCDKKW-QGZVFWFLSA-N 2 1 337.508 1.414 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004594659 712034178 /nfs/dbraw/zinc/03/41/78/712034178.db2.gz BPYJYQKFXCHCET-QGZVFWFLSA-N 2 1 346.475 1.457 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCO)CC1 ZINC001004619864 712081032 /nfs/dbraw/zinc/08/10/32/712081032.db2.gz MTSKFMOPSRWVIQ-ZWKOTPCHSA-N 2 1 337.508 1.556 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004619864 712081033 /nfs/dbraw/zinc/08/10/33/712081033.db2.gz MTSKFMOPSRWVIQ-ZWKOTPCHSA-N 2 1 337.508 1.556 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004619864 712081035 /nfs/dbraw/zinc/08/10/35/712081035.db2.gz MTSKFMOPSRWVIQ-ZWKOTPCHSA-N 2 1 337.508 1.556 20 0 EDADMP O=C(CC[NH+]1CCCCC1)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004620930 712082881 /nfs/dbraw/zinc/08/28/81/712082881.db2.gz SSNXWBYKARXGHV-GOSISDBHSA-N 2 1 337.508 1.558 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000370135706 282192340 /nfs/dbraw/zinc/19/23/40/282192340.db2.gz IYACCQBAWRCGDV-IECFSIQFSA-N 2 1 334.508 1.985 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)c1 ZINC000141478977 539550919 /nfs/dbraw/zinc/55/09/19/539550919.db2.gz HJRHNMYONNDFSI-QGZVFWFLSA-N 2 1 343.475 1.706 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)c1 ZINC000141478977 539550925 /nfs/dbraw/zinc/55/09/25/539550925.db2.gz HJRHNMYONNDFSI-QGZVFWFLSA-N 2 1 343.475 1.706 20 0 EDADMP C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000151166811 539744085 /nfs/dbraw/zinc/74/40/85/539744085.db2.gz RPYJRDQBNIKZGR-KKUMJFAQSA-N 2 1 328.501 1.371 20 0 EDADMP C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000151166811 539744088 /nfs/dbraw/zinc/74/40/88/539744088.db2.gz RPYJRDQBNIKZGR-KKUMJFAQSA-N 2 1 328.501 1.371 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000343015022 539776400 /nfs/dbraw/zinc/77/64/00/539776400.db2.gz PHGYXVKYTHGLFQ-OWCLPIDISA-N 2 1 340.512 1.070 20 0 EDADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000366953408 282741056 /nfs/dbraw/zinc/74/10/56/282741056.db2.gz SVHGCPXMVPCDGQ-HNNXBMFYSA-N 2 1 325.478 1.499 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)COc1ccc(F)c(F)c1 ZINC000166516866 539927411 /nfs/dbraw/zinc/92/74/11/539927411.db2.gz PTTURXLPISNIMI-MGPQQGTHSA-N 2 1 326.387 1.921 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)C1 ZINC000562789700 306308988 /nfs/dbraw/zinc/30/89/88/306308988.db2.gz OJQFNJMBSPYAOG-OAOYMFHYSA-N 2 1 342.487 1.936 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000562789161 306308996 /nfs/dbraw/zinc/30/89/96/306308996.db2.gz BOFMEJVIVBWMPH-IKGGRYGDSA-N 2 1 338.496 1.269 20 0 EDADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000562837854 306311002 /nfs/dbraw/zinc/31/10/02/306311002.db2.gz LBJNEFGYLHAFDY-MRXNPFEDSA-N 2 1 345.443 1.860 20 0 EDADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000563198406 306322743 /nfs/dbraw/zinc/32/27/43/306322743.db2.gz XXIAVGOAQQIVGZ-OKILXGFUSA-N 2 1 330.432 1.140 20 0 EDADMP C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000163665914 540056138 /nfs/dbraw/zinc/05/61/38/540056138.db2.gz UUXYFIRPVWESJZ-DOTOQJQBSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000163665914 540056140 /nfs/dbraw/zinc/05/61/40/540056140.db2.gz UUXYFIRPVWESJZ-DOTOQJQBSA-N 2 1 340.512 1.469 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NCC[NH+]2CCC(OC)CC2)[C@H](C)C1 ZINC000163667985 540056230 /nfs/dbraw/zinc/05/62/30/540056230.db2.gz SCMWBCYCRXQLGA-IEBWSBKVSA-N 2 1 341.540 1.824 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCN2CCC(OC)CC2)[C@H](C)C1 ZINC000163667985 540056234 /nfs/dbraw/zinc/05/62/34/540056234.db2.gz SCMWBCYCRXQLGA-IEBWSBKVSA-N 2 1 341.540 1.824 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCN2CCC(OC)CC2)[C@H](C)C1 ZINC000163667985 540056239 /nfs/dbraw/zinc/05/62/39/540056239.db2.gz SCMWBCYCRXQLGA-IEBWSBKVSA-N 2 1 341.540 1.824 20 0 EDADMP [NH3+]CC1(CC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCCCC1 ZINC000184232852 235342894 /nfs/dbraw/zinc/34/28/94/235342894.db2.gz MACZJFSTGUWZJT-QGZVFWFLSA-N 2 1 337.508 1.999 20 0 EDADMP CC[C@@H](NC(=O)C[NH2+]C(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563450734 306334145 /nfs/dbraw/zinc/33/41/45/306334145.db2.gz HIDRPQVSBHIPCN-MSOLQXFVSA-N 2 1 333.476 1.780 20 0 EDADMP CC[C@@H](NC(=O)C[NH2+]C(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563450734 306334146 /nfs/dbraw/zinc/33/41/46/306334146.db2.gz HIDRPQVSBHIPCN-MSOLQXFVSA-N 2 1 333.476 1.780 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000358308389 283178607 /nfs/dbraw/zinc/17/86/07/283178607.db2.gz IYPCBJOMEVWJKC-MRXNPFEDSA-N 2 1 347.507 1.684 20 0 EDADMP CC(C)(C)CCNC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000075937836 138244620 /nfs/dbraw/zinc/24/46/20/138244620.db2.gz LPEFVNNANXGGKO-UHFFFAOYSA-N 2 1 325.497 1.583 20 0 EDADMP COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(C)CC2)cc1OC ZINC000120412879 138315625 /nfs/dbraw/zinc/31/56/25/138315625.db2.gz OMPWACLEQFPVJV-INIZCTEOSA-N 2 1 347.459 1.615 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NC[C@@H]3CCC[N@H+]3C)CC2)[nH+]1 ZINC000117039342 138312195 /nfs/dbraw/zinc/31/21/95/138312195.db2.gz HHKSYEZIOULZIJ-INIZCTEOSA-N 2 1 331.464 1.752 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)[nH+]1 ZINC000117039342 138312196 /nfs/dbraw/zinc/31/21/96/138312196.db2.gz HHKSYEZIOULZIJ-INIZCTEOSA-N 2 1 331.464 1.752 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000186813708 236029895 /nfs/dbraw/zinc/02/98/95/236029895.db2.gz YMRNBTQUGIWLKA-NXHRZFHOSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000186813708 236029898 /nfs/dbraw/zinc/02/98/98/236029898.db2.gz YMRNBTQUGIWLKA-NXHRZFHOSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423488981 299310411 /nfs/dbraw/zinc/31/04/11/299310411.db2.gz FOKWTQCAZYJQRV-WDSOQIARSA-N 2 1 333.476 1.417 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000565163196 306377074 /nfs/dbraw/zinc/37/70/74/306377074.db2.gz JQWCKBJBIZCOGF-OALUTQOASA-N 2 1 341.540 1.369 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000366488971 296018520 /nfs/dbraw/zinc/01/85/20/296018520.db2.gz VRFZMBMKLINROO-HKUYNNGSSA-N 2 1 349.519 1.964 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ncon3)CC2)CC1 ZINC000565493373 306385263 /nfs/dbraw/zinc/38/52/63/306385263.db2.gz QGPCDCYSWUXUOC-ZDUSSCGKSA-N 2 1 335.452 1.443 20 0 EDADMP CC[NH+](CC)CC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000063757803 201050718 /nfs/dbraw/zinc/05/07/18/201050718.db2.gz MZKJBPVXEHOPGP-UHFFFAOYSA-N 2 1 332.492 1.392 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414172966 304104435 /nfs/dbraw/zinc/10/44/35/304104435.db2.gz FWOHFDYCOHETCL-GJZGRUSLSA-N 2 1 339.505 1.977 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)OCC3CC3)cn2)CC1 ZINC000414514927 304121763 /nfs/dbraw/zinc/12/17/63/304121763.db2.gz KMDYXZGBJNQPAY-UHFFFAOYSA-N 2 1 333.480 1.523 20 0 EDADMP COc1ccc([C@H]2CC[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)cc1 ZINC000414695624 304128274 /nfs/dbraw/zinc/12/82/74/304128274.db2.gz PGGPZAMRASXIKR-WBVHZDCISA-N 2 1 331.460 1.682 20 0 EDADMP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261905765 283921503 /nfs/dbraw/zinc/92/15/03/283921503.db2.gz IESNNOHIZZBCKT-IPMKNSEASA-N 2 1 343.471 1.826 20 0 EDADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414722602 304132886 /nfs/dbraw/zinc/13/28/86/304132886.db2.gz MUSPXAZIYJRCCI-IKGGRYGDSA-N 3 1 331.508 1.752 20 0 EDADMP C[C@@H]1C[C@@H](CN(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414722602 304132887 /nfs/dbraw/zinc/13/28/87/304132887.db2.gz MUSPXAZIYJRCCI-IKGGRYGDSA-N 2 1 331.508 1.752 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000333945785 284058001 /nfs/dbraw/zinc/05/80/01/284058001.db2.gz TZYCECMWEFZQQR-IXDOHACOSA-N 2 1 329.448 1.364 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000333945785 284058004 /nfs/dbraw/zinc/05/80/04/284058004.db2.gz TZYCECMWEFZQQR-IXDOHACOSA-N 2 1 329.448 1.364 20 0 EDADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374500503 296136115 /nfs/dbraw/zinc/13/61/15/296136115.db2.gz BTLSTEFBACNSMM-GOSISDBHSA-N 2 1 343.471 1.490 20 0 EDADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374500503 296136117 /nfs/dbraw/zinc/13/61/17/296136117.db2.gz BTLSTEFBACNSMM-GOSISDBHSA-N 2 1 343.471 1.490 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000415067543 304156534 /nfs/dbraw/zinc/15/65/34/304156534.db2.gz USOHCUYQQVKJOY-HZPDHXFCSA-N 2 1 347.463 1.241 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000415067543 304156537 /nfs/dbraw/zinc/15/65/37/304156537.db2.gz USOHCUYQQVKJOY-HZPDHXFCSA-N 2 1 347.463 1.241 20 0 EDADMP O=C(COc1ccccc1C[NH2+]CCC[NH2+]C1CC1)N1CCCC1 ZINC000415074235 304157471 /nfs/dbraw/zinc/15/74/71/304157471.db2.gz ZYOMPAKQOYWCLM-UHFFFAOYSA-N 2 1 331.460 1.920 20 0 EDADMP O=C1N[C@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415143159 304163943 /nfs/dbraw/zinc/16/39/43/304163943.db2.gz SATGFRXCBLJIEJ-IRXDYDNUSA-N 2 1 332.423 1.546 20 0 EDADMP O=C1N[C@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415143159 304163945 /nfs/dbraw/zinc/16/39/45/304163945.db2.gz SATGFRXCBLJIEJ-IRXDYDNUSA-N 2 1 332.423 1.546 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@H]1C ZINC000415155309 304166713 /nfs/dbraw/zinc/16/67/13/304166713.db2.gz VYGYLARQELGOIC-CHWSQXEVSA-N 2 1 330.432 1.169 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@H]1C ZINC000415155309 304166715 /nfs/dbraw/zinc/16/67/15/304166715.db2.gz VYGYLARQELGOIC-CHWSQXEVSA-N 2 1 330.432 1.169 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000236754394 139030462 /nfs/dbraw/zinc/03/04/62/139030462.db2.gz CADRVPHHJVNVIP-SJLPKXTDSA-N 2 1 332.492 1.831 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415159768 304168086 /nfs/dbraw/zinc/16/80/86/304168086.db2.gz GYTGDAJYYNXBLR-GDBMZVCRSA-N 2 1 330.432 1.027 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000237090575 139040358 /nfs/dbraw/zinc/04/03/58/139040358.db2.gz FALAYTROAALBHD-UHFFFAOYSA-N 2 1 332.448 1.905 20 0 EDADMP CSCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000237275763 139046263 /nfs/dbraw/zinc/04/62/63/139046263.db2.gz LXRSOGGXECYBSH-WCQYABFASA-N 2 1 327.519 1.691 20 0 EDADMP CSCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000237275763 139046264 /nfs/dbraw/zinc/04/62/64/139046264.db2.gz LXRSOGGXECYBSH-WCQYABFASA-N 2 1 327.519 1.691 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)nc(C)[nH+]1 ZINC000237288933 139046661 /nfs/dbraw/zinc/04/66/61/139046661.db2.gz HMEAFPFDRIJPCV-CABCVRRESA-N 2 1 331.464 1.648 20 0 EDADMP Cc1ccccc1OC[C@H](O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126427429 205056118 /nfs/dbraw/zinc/05/61/18/205056118.db2.gz RGAMODZAVMMCHV-LJQANCHMSA-N 2 1 349.519 1.693 20 0 EDADMP CC[NH+](CC)CC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000111155432 220104299 /nfs/dbraw/zinc/10/42/99/220104299.db2.gz XNSOCMUYRXOQCQ-UHFFFAOYSA-N 2 1 336.480 1.961 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000415189559 304173010 /nfs/dbraw/zinc/17/30/10/304173010.db2.gz HHFUHKFLUADAHH-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415194117 304173531 /nfs/dbraw/zinc/17/35/31/304173531.db2.gz KZTDDQIUWPDTDH-MRXNPFEDSA-N 2 1 344.459 1.465 20 0 EDADMP O=C(NC1C[NH2+]C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000237783855 139060213 /nfs/dbraw/zinc/06/02/13/139060213.db2.gz GEECYTLKDYQNOZ-HNNXBMFYSA-N 2 1 327.350 1.529 20 0 EDADMP N[C@@H](C(=O)NCc1ccnc(N2CCOCC2)c1)c1ccccc1 ZINC000237834745 139061665 /nfs/dbraw/zinc/06/16/65/139061665.db2.gz SAPLSQXCVYLYLD-QGZVFWFLSA-N 2 1 326.400 1.234 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000415248528 304178650 /nfs/dbraw/zinc/17/86/50/304178650.db2.gz WOIJULNOVBGLPZ-LJQANCHMSA-N 2 1 344.459 1.289 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000245624461 139081170 /nfs/dbraw/zinc/08/11/70/139081170.db2.gz XWKXQSXEIBCOOO-ZJXIFLPPSA-N 2 1 331.504 1.940 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000245624461 139081171 /nfs/dbraw/zinc/08/11/71/139081171.db2.gz XWKXQSXEIBCOOO-ZJXIFLPPSA-N 2 1 331.504 1.940 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000245624461 139081172 /nfs/dbraw/zinc/08/11/72/139081172.db2.gz XWKXQSXEIBCOOO-ZJXIFLPPSA-N 2 1 331.504 1.940 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245624461 139081173 /nfs/dbraw/zinc/08/11/73/139081173.db2.gz XWKXQSXEIBCOOO-ZJXIFLPPSA-N 2 1 331.504 1.940 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000245624461 139081174 /nfs/dbraw/zinc/08/11/74/139081174.db2.gz XWKXQSXEIBCOOO-ZJXIFLPPSA-N 2 1 331.504 1.940 20 0 EDADMP COC(=O)CCn1nc(C)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000245703841 139083776 /nfs/dbraw/zinc/08/37/76/139083776.db2.gz BSCLCTNHYSSTRE-FUHWJXTLSA-N 2 1 348.491 1.979 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)cn2cc[nH+]c12 ZINC000415282638 304184950 /nfs/dbraw/zinc/18/49/50/304184950.db2.gz QVVSRBUJCWSXMT-UHFFFAOYSA-N 2 1 329.404 1.359 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N3CC[NH2+]CC3)cc2)C1 ZINC000415287775 304186247 /nfs/dbraw/zinc/18/62/47/304186247.db2.gz YHTSNUIGDHYETP-OAHLLOKOSA-N 2 1 344.459 1.289 20 0 EDADMP COc1cccc(COC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246325412 139104288 /nfs/dbraw/zinc/10/42/88/139104288.db2.gz AWIUYUNJLWNMMH-CGTJXYLNSA-N 2 1 336.476 1.987 20 0 EDADMP COc1cccc(COC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246325412 139104289 /nfs/dbraw/zinc/10/42/89/139104289.db2.gz AWIUYUNJLWNMMH-CGTJXYLNSA-N 2 1 336.476 1.987 20 0 EDADMP COc1cccc(COC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246325412 139104290 /nfs/dbraw/zinc/10/42/90/139104290.db2.gz AWIUYUNJLWNMMH-CGTJXYLNSA-N 2 1 336.476 1.987 20 0 EDADMP COc1cccc(COC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246325412 139104291 /nfs/dbraw/zinc/10/42/91/139104291.db2.gz AWIUYUNJLWNMMH-CGTJXYLNSA-N 2 1 336.476 1.987 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCCN3CCOCC3(C)C)CC[C@@H]21 ZINC000246554233 139112601 /nfs/dbraw/zinc/11/26/01/139112601.db2.gz BDNHGISRAPFIFG-HOTGVXAUSA-N 2 1 338.496 1.223 20 0 EDADMP CCOC(=O)CCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000102515002 206346671 /nfs/dbraw/zinc/34/66/71/206346671.db2.gz XZIAFJVGQQMYGB-CALCHBBNSA-N 2 1 325.497 1.820 20 0 EDADMP CCOC(=O)CCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000102515002 206346674 /nfs/dbraw/zinc/34/66/74/206346674.db2.gz XZIAFJVGQQMYGB-CALCHBBNSA-N 2 1 325.497 1.820 20 0 EDADMP COc1c(C)c[nH+]c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1C ZINC000103230693 206396595 /nfs/dbraw/zinc/39/65/95/206396595.db2.gz QCNFLNVOROMWQV-UHFFFAOYSA-N 2 1 346.475 1.447 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NCC1CC[NH+](C)CC1)[NH+](C)C ZINC000105082171 206438577 /nfs/dbraw/zinc/43/85/77/206438577.db2.gz IAZFXUHGCBNQBV-KRWDZBQOSA-N 2 1 348.491 1.939 20 0 EDADMP CC[C@H]1CN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCS1 ZINC000247260481 139142879 /nfs/dbraw/zinc/14/28/79/139142879.db2.gz FHGCXKIRSZIUDG-HOTGVXAUSA-N 2 1 343.537 1.287 20 0 EDADMP CC[C@H]1CN(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)CCS1 ZINC000247260481 139142880 /nfs/dbraw/zinc/14/28/80/139142880.db2.gz FHGCXKIRSZIUDG-HOTGVXAUSA-N 2 1 343.537 1.287 20 0 EDADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247286993 139143499 /nfs/dbraw/zinc/14/34/99/139143499.db2.gz DPROBOSUCZAJSJ-BBWFWOEESA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247286993 139143500 /nfs/dbraw/zinc/14/35/00/139143500.db2.gz DPROBOSUCZAJSJ-BBWFWOEESA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247286993 139143498 /nfs/dbraw/zinc/14/34/98/139143498.db2.gz DPROBOSUCZAJSJ-BBWFWOEESA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](CNC(=O)NCC1CC[NH+](CCO)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000247483981 139150129 /nfs/dbraw/zinc/15/01/29/139150129.db2.gz KGZTUVATMUUAJX-HZPDHXFCSA-N 2 1 340.512 1.110 20 0 EDADMP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)c2cc1C ZINC000247543069 139151850 /nfs/dbraw/zinc/15/18/50/139151850.db2.gz YPCGIEMWRVFKBW-DLBZAZTESA-N 2 1 330.476 1.898 20 0 EDADMP CC[C@]1(C)CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000247692960 139154191 /nfs/dbraw/zinc/15/41/91/139154191.db2.gz WEJPJKLKERFRGX-PKOBYXMFSA-N 2 1 339.524 1.972 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N2CCC(C)CC2)[C@@H](C)C1 ZINC000249414164 139192940 /nfs/dbraw/zinc/19/29/40/139192940.db2.gz GCEHECPSDSBQGW-ZWKOTPCHSA-N 2 1 339.524 1.972 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)N2CCC(C)CC2)[C@@H](C)C1 ZINC000249414164 139192941 /nfs/dbraw/zinc/19/29/41/139192941.db2.gz GCEHECPSDSBQGW-ZWKOTPCHSA-N 2 1 339.524 1.972 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)c2)C[C@H](C)O1 ZINC000261602544 139209721 /nfs/dbraw/zinc/20/97/21/139209721.db2.gz ACMRCFVEBXXBCE-NONVJHHQSA-N 2 1 347.459 1.741 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)c2)C[C@H](C)O1 ZINC000261602544 139209722 /nfs/dbraw/zinc/20/97/22/139209722.db2.gz ACMRCFVEBXXBCE-NONVJHHQSA-N 2 1 347.459 1.741 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000261609922 139210753 /nfs/dbraw/zinc/21/07/53/139210753.db2.gz DMXCIUULQGLVLD-OAHLLOKOSA-N 2 1 328.416 1.629 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261682493 139217096 /nfs/dbraw/zinc/21/70/96/139217096.db2.gz DKYFQVGOYJGHBA-SFHVURJKSA-N 2 1 343.471 1.490 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261682493 139217097 /nfs/dbraw/zinc/21/70/97/139217097.db2.gz DKYFQVGOYJGHBA-SFHVURJKSA-N 2 1 343.471 1.490 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261779425 139225299 /nfs/dbraw/zinc/22/52/99/139225299.db2.gz PFBUHIFTONSFMA-XHDPSFHLSA-N 2 1 340.265 1.691 20 0 EDADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000261976973 139241185 /nfs/dbraw/zinc/24/11/85/139241185.db2.gz GJZTTWUCBKOLLQ-UHFFFAOYSA-N 2 1 332.448 1.905 20 0 EDADMP COC[C@H](N)C(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000262031756 139245254 /nfs/dbraw/zinc/24/52/54/139245254.db2.gz JXTQTSYHUYXYPJ-XHSDSOJGSA-N 2 1 341.402 1.579 20 0 EDADMP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262193358 139258962 /nfs/dbraw/zinc/25/89/62/139258962.db2.gz ZAYYZBXANZYQHI-CQSZACIVSA-N 2 1 333.867 1.706 20 0 EDADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262193358 139258963 /nfs/dbraw/zinc/25/89/63/139258963.db2.gz ZAYYZBXANZYQHI-CQSZACIVSA-N 2 1 333.867 1.706 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415979691 251042599 /nfs/dbraw/zinc/04/25/99/251042599.db2.gz XPMKTACYLXIZDI-UHFFFAOYSA-N 2 1 334.420 1.012 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416879802 251117880 /nfs/dbraw/zinc/11/78/80/251117880.db2.gz KEIFTGNBJOHAHN-ZWKOTPCHSA-N 2 1 346.475 1.445 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417010770 251130092 /nfs/dbraw/zinc/13/00/92/251130092.db2.gz QIMLBMZRHDZEBU-LJQANCHMSA-N 2 1 328.460 1.440 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)F ZINC000417086311 251141135 /nfs/dbraw/zinc/14/11/35/251141135.db2.gz FAHKJDRVKUVOHM-HUUCEWRRSA-N 2 1 340.418 1.933 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417097627 251143243 /nfs/dbraw/zinc/14/32/43/251143243.db2.gz ASUTWQKLJQKCER-HRCADAONSA-N 2 1 348.491 1.832 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417097627 251143246 /nfs/dbraw/zinc/14/32/46/251143246.db2.gz ASUTWQKLJQKCER-HRCADAONSA-N 2 1 348.491 1.832 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH3+])c1ccccc1 ZINC000417494120 251179714 /nfs/dbraw/zinc/17/97/14/251179714.db2.gz OYIOWZUGQHBRBL-INMHGKMJSA-N 2 1 336.480 1.731 20 0 EDADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CCCCC1 ZINC000262400657 139276312 /nfs/dbraw/zinc/27/63/12/139276312.db2.gz OEIWTJFHIPASRM-RBUKOAKNSA-N 2 1 345.487 1.790 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC([NH3+])(CC)CC)[C@H](C)C1 ZINC000417664202 251219569 /nfs/dbraw/zinc/21/95/69/251219569.db2.gz BBJBTGBFPCSFKV-HZPDHXFCSA-N 2 1 342.528 1.940 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)[C@H](C)C1 ZINC000417667835 251220873 /nfs/dbraw/zinc/22/08/73/251220873.db2.gz HPEHEILUNDCSQY-NCOADZHNSA-N 2 1 340.512 1.502 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC2CCC([NH3+])CC2)[C@H](C)C1 ZINC000417669582 251221270 /nfs/dbraw/zinc/22/12/70/251221270.db2.gz LXGWSOLOFODBFZ-VXLLPVPCSA-N 2 1 340.512 1.693 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)[nH+]c1 ZINC000417732836 251247140 /nfs/dbraw/zinc/24/71/40/251247140.db2.gz PLAXTQQBCBOLOH-HOCLYGCPSA-N 2 1 331.464 1.799 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccc(F)cc1 ZINC000417825715 251286623 /nfs/dbraw/zinc/28/66/23/251286623.db2.gz NJVDLUZCEBZRLC-CVEARBPZSA-N 2 1 334.439 1.508 20 0 EDADMP C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000417837171 251291895 /nfs/dbraw/zinc/29/18/95/251291895.db2.gz XMJSRWOVCNHZIH-HOCLYGCPSA-N 2 1 336.455 1.945 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417792983 251273345 /nfs/dbraw/zinc/27/33/45/251273345.db2.gz LCKBKNRCAURIIY-BRSBDYLESA-N 2 1 334.508 1.938 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000417816015 251280997 /nfs/dbraw/zinc/28/09/97/251280997.db2.gz BXFKSCGIZIHUCR-MRXNPFEDSA-N 2 1 336.455 1.899 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417875276 251308676 /nfs/dbraw/zinc/30/86/76/251308676.db2.gz NYAQBLKCKUNBSI-WMLDXEAASA-N 2 1 331.464 1.343 20 0 EDADMP C[NH2+]CCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418079446 251321169 /nfs/dbraw/zinc/32/11/69/251321169.db2.gz YFRYXVOCERAYPG-QGZVFWFLSA-N 2 1 334.464 1.186 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418110030 251324336 /nfs/dbraw/zinc/32/43/36/251324336.db2.gz VUJRFBSDADKAQI-QZTJIDSGSA-N 2 1 330.476 1.759 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418428510 251368369 /nfs/dbraw/zinc/36/83/69/251368369.db2.gz MOLMGGKWFIYZIA-MRXNPFEDSA-N 2 1 334.464 1.439 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418428510 251368372 /nfs/dbraw/zinc/36/83/72/251368372.db2.gz MOLMGGKWFIYZIA-MRXNPFEDSA-N 2 1 334.464 1.439 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H](C)CCCC[NH3+])C[C@@H]1CC ZINC000418716426 251395451 /nfs/dbraw/zinc/39/54/51/251395451.db2.gz YYJALJAVXGHWOR-HOTGVXAUSA-N 2 1 328.501 1.646 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418727539 251399961 /nfs/dbraw/zinc/39/99/61/251399961.db2.gz MJODCJVMUGJYMD-FUHWJXTLSA-N 2 1 334.464 1.002 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc2)CC1 ZINC000262632359 139291525 /nfs/dbraw/zinc/29/15/25/139291525.db2.gz FYXFUTXTQFLMBU-GOSISDBHSA-N 2 1 346.519 1.814 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C[NH2+]CC3CC3)cc2)CC1 ZINC000262633308 139291786 /nfs/dbraw/zinc/29/17/86/139291786.db2.gz GEWYVGTXJWZDKS-UHFFFAOYSA-N 2 1 330.476 1.050 20 0 EDADMP CC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000422906903 252017916 /nfs/dbraw/zinc/01/79/16/252017916.db2.gz VZIOYFOGGGTMLE-YESZJQIVSA-N 2 1 327.538 1.705 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423840054 252087156 /nfs/dbraw/zinc/08/71/56/252087156.db2.gz YNBIHWREIQDVRH-KCPJHIHWSA-N 2 1 325.815 1.950 20 0 EDADMP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000423959806 252108513 /nfs/dbraw/zinc/10/85/13/252108513.db2.gz XTJHDQZQSPHEQU-FOIPXRHGSA-N 2 1 336.524 1.617 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N(C)CCC[NH2+]C)cc2F)CC1 ZINC000424023348 252117933 /nfs/dbraw/zinc/11/79/33/252117933.db2.gz VLERCASLDKXTPX-UHFFFAOYSA-N 2 1 336.455 1.649 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424143888 252141059 /nfs/dbraw/zinc/14/10/59/252141059.db2.gz GTOQAYDZASECCP-HZPDHXFCSA-N 2 1 347.507 1.737 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000424149230 252146108 /nfs/dbraw/zinc/14/61/08/252146108.db2.gz VYTRIKJNIOINKB-ILXRZTDVSA-N 2 1 333.480 1.442 20 0 EDADMP [NH3+]Cc1cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)ccn1 ZINC000424218709 252167575 /nfs/dbraw/zinc/16/75/75/252167575.db2.gz WIYWBYJLWYMDRV-PKOBYXMFSA-N 2 1 336.439 1.887 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)CC[N@@H+]1C ZINC000177768387 207395082 /nfs/dbraw/zinc/39/50/82/207395082.db2.gz LSZSSBGLIAKZMC-GDBMZVCRSA-N 2 1 325.478 1.178 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)CC[N@H+]1C ZINC000177768387 207395090 /nfs/dbraw/zinc/39/50/90/207395090.db2.gz LSZSSBGLIAKZMC-GDBMZVCRSA-N 2 1 325.478 1.178 20 0 EDADMP Brc1csc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261574686 532981356 /nfs/dbraw/zinc/98/13/56/532981356.db2.gz MVHJLVXEWYGNKN-GFCCVEGCSA-N 2 1 330.295 1.990 20 0 EDADMP Brc1csc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261574686 532981362 /nfs/dbraw/zinc/98/13/62/532981362.db2.gz MVHJLVXEWYGNKN-GFCCVEGCSA-N 2 1 330.295 1.990 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246578826 285022902 /nfs/dbraw/zinc/02/29/02/285022902.db2.gz CDCWZCNULFOUIB-BBWFWOEESA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246578826 285022904 /nfs/dbraw/zinc/02/29/04/285022904.db2.gz CDCWZCNULFOUIB-BBWFWOEESA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246578826 285022906 /nfs/dbraw/zinc/02/29/06/285022906.db2.gz CDCWZCNULFOUIB-BBWFWOEESA-N 2 1 338.496 1.223 20 0 EDADMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000263122579 139323650 /nfs/dbraw/zinc/32/36/50/139323650.db2.gz BCFAYQHMGXNDDO-LPHOPBHVSA-N 2 1 349.438 1.604 20 0 EDADMP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)cnc12 ZINC000263126793 139323800 /nfs/dbraw/zinc/32/38/00/139323800.db2.gz BJCASHCQCOFKQF-GXFFZTMASA-N 2 1 339.237 1.075 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000570280581 306535629 /nfs/dbraw/zinc/53/56/29/306535629.db2.gz DBVKAPLJOMQVGR-FUHWJXTLSA-N 2 1 346.475 1.131 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000487275037 255028830 /nfs/dbraw/zinc/02/88/30/255028830.db2.gz YQVBGWWCWOMGPH-UBDQQSCGSA-N 2 1 330.476 1.731 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000487275037 255028831 /nfs/dbraw/zinc/02/88/31/255028831.db2.gz YQVBGWWCWOMGPH-UBDQQSCGSA-N 2 1 330.476 1.731 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000487275037 255028833 /nfs/dbraw/zinc/02/88/33/255028833.db2.gz YQVBGWWCWOMGPH-UBDQQSCGSA-N 2 1 330.476 1.731 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000496173936 255361091 /nfs/dbraw/zinc/36/10/91/255361091.db2.gz WNWINNJKGTUCEO-AEFFLSMTSA-N 2 1 333.432 1.054 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000496173936 255361092 /nfs/dbraw/zinc/36/10/92/255361092.db2.gz WNWINNJKGTUCEO-AEFFLSMTSA-N 2 1 333.432 1.054 20 0 EDADMP CN(C[C@@](C)(O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C(=O)OC(C)(C)C ZINC000496425258 255392304 /nfs/dbraw/zinc/39/23/04/255392304.db2.gz OVHYVRDOQPNCNA-QAPCUYQASA-N 2 1 343.512 1.878 20 0 EDADMP CN(C[C@@](C)(O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C(=O)OC(C)(C)C ZINC000496425258 255392305 /nfs/dbraw/zinc/39/23/05/255392305.db2.gz OVHYVRDOQPNCNA-QAPCUYQASA-N 2 1 343.512 1.878 20 0 EDADMP CN(C[C@@](C)(O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C(=O)OC(C)(C)C ZINC000496425258 255392306 /nfs/dbraw/zinc/39/23/06/255392306.db2.gz OVHYVRDOQPNCNA-QAPCUYQASA-N 2 1 343.512 1.878 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000264281771 139393109 /nfs/dbraw/zinc/39/31/09/139393109.db2.gz HKZXFBQJWDTYRF-AWEZNQCLSA-N 2 1 337.439 1.789 20 0 EDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000163272263 285382131 /nfs/dbraw/zinc/38/21/31/285382131.db2.gz JQSNTNKAOARJIK-UONOGXRCSA-N 2 1 325.478 1.587 20 0 EDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000163272263 285382132 /nfs/dbraw/zinc/38/21/32/285382132.db2.gz JQSNTNKAOARJIK-UONOGXRCSA-N 2 1 325.478 1.587 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](CCOCC)CC2)c1 ZINC000415909865 304284911 /nfs/dbraw/zinc/28/49/11/304284911.db2.gz UJAUBFCEYKKYKQ-UHFFFAOYSA-N 2 1 334.464 1.982 20 0 EDADMP CN(c1ccccc1C[N@H+]1CC[C@@H](NC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000271398695 140290579 /nfs/dbraw/zinc/29/05/79/140290579.db2.gz VHOBVTXUSXGLIK-MRXNPFEDSA-N 2 1 345.491 1.460 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N3C[C@H](C)[C@H]([NH3+])C3)CC2)nc(C)[nH+]1 ZINC000332127140 141127836 /nfs/dbraw/zinc/12/78/36/141127836.db2.gz JPVBXSWZGRVNDA-XHDPSFHLSA-N 2 1 332.452 1.051 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000333466936 141321967 /nfs/dbraw/zinc/32/19/67/141321967.db2.gz ACACAXNPXMQJFX-XXQMMXQMSA-N 2 1 342.487 1.886 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000333718089 141364844 /nfs/dbraw/zinc/36/48/44/141364844.db2.gz UCLVKSQIXFJKPT-XUWVNRHRSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000333718089 141364845 /nfs/dbraw/zinc/36/48/45/141364845.db2.gz UCLVKSQIXFJKPT-XUWVNRHRSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000333796916 141383499 /nfs/dbraw/zinc/38/34/99/141383499.db2.gz HDQIBXKPIICALS-WMLDXEAASA-N 2 1 338.496 1.399 20 0 EDADMP C[C@@H](CNC(=O)NCCC[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000339450987 142048877 /nfs/dbraw/zinc/04/88/77/142048877.db2.gz OGLPNOLQCAOQFL-INIZCTEOSA-N 2 1 326.485 1.130 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000339610820 142092839 /nfs/dbraw/zinc/09/28/39/142092839.db2.gz HMXJDIXEAUSIHD-HOTGVXAUSA-N 2 1 340.512 1.066 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000340037028 142243510 /nfs/dbraw/zinc/24/35/10/142243510.db2.gz GEDKWUQIYDJOIQ-UHFFFAOYSA-N 2 1 331.420 1.429 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000340037028 142243512 /nfs/dbraw/zinc/24/35/12/142243512.db2.gz GEDKWUQIYDJOIQ-UHFFFAOYSA-N 2 1 331.420 1.429 20 0 EDADMP CN(CCCOc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342114246 142687511 /nfs/dbraw/zinc/68/75/11/142687511.db2.gz BZJPGXGTVXCLGF-WDSOQIARSA-N 2 1 345.487 1.973 20 0 EDADMP COC1(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C2)CC[NH2+]CC1 ZINC000370773885 292091677 /nfs/dbraw/zinc/09/16/77/292091677.db2.gz PQEZPPKNUZFTRW-RCCFBDPRSA-N 2 1 343.471 1.516 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000345010409 143038941 /nfs/dbraw/zinc/03/89/41/143038941.db2.gz NZGNKSJOOISXMX-OAGGEKHMSA-N 2 1 325.497 1.553 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COc1ccc(O)cc1 ZINC000345235128 143067847 /nfs/dbraw/zinc/06/78/47/143067847.db2.gz XLMKWZQWYSYHII-MRXNPFEDSA-N 2 1 349.475 1.646 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000345506785 143099558 /nfs/dbraw/zinc/09/95/58/143099558.db2.gz AJAFMGXUFQKJOG-GOSISDBHSA-N 2 1 340.427 1.698 20 0 EDADMP COCCN1C(=O)N[C@@H]2C[N@@H+](CCCCn3cc[nH+]c3C)CC[C@@H]21 ZINC000345678855 143120442 /nfs/dbraw/zinc/12/04/42/143120442.db2.gz PCRDRFNQOXJXKG-CVEARBPZSA-N 2 1 335.452 1.086 20 0 EDADMP COCCN1C(=O)N[C@@H]2C[N@H+](CCCCn3cc[nH+]c3C)CC[C@@H]21 ZINC000345678855 143120443 /nfs/dbraw/zinc/12/04/43/143120443.db2.gz PCRDRFNQOXJXKG-CVEARBPZSA-N 2 1 335.452 1.086 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cn1 ZINC000346297423 143188575 /nfs/dbraw/zinc/18/85/75/143188575.db2.gz VSTCMDOQSNTJPI-QZTJIDSGSA-N 2 1 347.507 1.845 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cn1 ZINC000346297423 143188576 /nfs/dbraw/zinc/18/85/76/143188576.db2.gz VSTCMDOQSNTJPI-QZTJIDSGSA-N 2 1 347.507 1.845 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1C ZINC000346366775 143197301 /nfs/dbraw/zinc/19/73/01/143197301.db2.gz HWVAMTDHJVMBTO-NEWSRXKRSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1C ZINC000346366775 143197302 /nfs/dbraw/zinc/19/73/02/143197302.db2.gz HWVAMTDHJVMBTO-NEWSRXKRSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000346366775 143197303 /nfs/dbraw/zinc/19/73/03/143197303.db2.gz HWVAMTDHJVMBTO-NEWSRXKRSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000346366775 143197304 /nfs/dbraw/zinc/19/73/04/143197304.db2.gz HWVAMTDHJVMBTO-NEWSRXKRSA-N 2 1 345.487 1.876 20 0 EDADMP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346834643 143250261 /nfs/dbraw/zinc/25/02/61/143250261.db2.gz SRMDCYFXDUPWRV-CYZMBNFOSA-N 2 1 332.370 1.839 20 0 EDADMP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346834643 143250262 /nfs/dbraw/zinc/25/02/62/143250262.db2.gz SRMDCYFXDUPWRV-CYZMBNFOSA-N 2 1 332.370 1.839 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCCN(C)[C@@H]1c1ccnn1C ZINC000346876885 143254886 /nfs/dbraw/zinc/25/48/86/143254886.db2.gz FZCAWWWZILSJDD-WMZOPIPTSA-N 2 1 330.480 1.940 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCCN(C)[C@@H]1c1ccnn1C ZINC000346876885 143254887 /nfs/dbraw/zinc/25/48/87/143254887.db2.gz FZCAWWWZILSJDD-WMZOPIPTSA-N 2 1 330.480 1.940 20 0 EDADMP O=C(C[N@@H+]1CCC[C@@H]1c1cccnc1)NC1CC[NH+](C2CC2)CC1 ZINC000347017722 143272020 /nfs/dbraw/zinc/27/20/20/143272020.db2.gz YBHFSDJTXDKXJT-GOSISDBHSA-N 2 1 328.460 1.962 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]1c1cccnc1)NC1CC[NH+](C2CC2)CC1 ZINC000347017722 143272021 /nfs/dbraw/zinc/27/20/21/143272021.db2.gz YBHFSDJTXDKXJT-GOSISDBHSA-N 2 1 328.460 1.962 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000347042469 143275593 /nfs/dbraw/zinc/27/55/93/143275593.db2.gz LCFWXNCYFRNTKI-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000347042469 143275594 /nfs/dbraw/zinc/27/55/94/143275594.db2.gz LCFWXNCYFRNTKI-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000347042469 143275595 /nfs/dbraw/zinc/27/55/95/143275595.db2.gz LCFWXNCYFRNTKI-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP CC[N@H+]1CC[C@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414217 143318435 /nfs/dbraw/zinc/31/84/35/143318435.db2.gz FJQUPEMDWQLJDK-YZGWKJHDSA-N 2 1 331.504 1.943 20 0 EDADMP CC[NH+]1CC[C@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414217 143318436 /nfs/dbraw/zinc/31/84/36/143318436.db2.gz FJQUPEMDWQLJDK-YZGWKJHDSA-N 2 1 331.504 1.943 20 0 EDADMP CC[NH+]1CC[C@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414217 143318437 /nfs/dbraw/zinc/31/84/37/143318437.db2.gz FJQUPEMDWQLJDK-YZGWKJHDSA-N 2 1 331.504 1.943 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)[NH+](C)C1 ZINC000347582577 143337390 /nfs/dbraw/zinc/33/73/90/143337390.db2.gz FZPUZFPTSQCTQE-KLHDSHLOSA-N 2 1 326.485 1.076 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)[N@H+](C)C1 ZINC000347582577 143337391 /nfs/dbraw/zinc/33/73/91/143337391.db2.gz FZPUZFPTSQCTQE-KLHDSHLOSA-N 2 1 326.485 1.076 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)[N@@H+](C)C1 ZINC000347582577 143337392 /nfs/dbraw/zinc/33/73/92/143337392.db2.gz FZPUZFPTSQCTQE-KLHDSHLOSA-N 2 1 326.485 1.076 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000416842999 304351119 /nfs/dbraw/zinc/35/11/19/304351119.db2.gz OFLJBRRCFZBJFZ-FGTMMUONSA-N 2 1 328.460 1.512 20 0 EDADMP C[NH+](C)C1(CNC(=O)NCC[NH+]2CCSCC2)CCCCC1 ZINC000352664083 149106942 /nfs/dbraw/zinc/10/69/42/149106942.db2.gz KKVSTUQXPPVLHU-UHFFFAOYSA-N 2 1 328.526 1.599 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000352683859 149115932 /nfs/dbraw/zinc/11/59/32/149115932.db2.gz LSVVUPSIUCOIGO-HNNXBMFYSA-N 2 1 326.510 1.305 20 0 EDADMP CC1CC[NH+](C[C@@H](O)CNCc2ncc(C[NH+](C)C)s2)CC1 ZINC000352758617 149153379 /nfs/dbraw/zinc/15/33/79/149153379.db2.gz ZUJYOYCMIAGIBE-AWEZNQCLSA-N 2 1 326.510 1.387 20 0 EDADMP CC(C)OCCN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000369914044 155229812 /nfs/dbraw/zinc/22/98/12/155229812.db2.gz XILUBZFRESLWNM-SJORKVTESA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000369914044 155229814 /nfs/dbraw/zinc/22/98/14/155229814.db2.gz XILUBZFRESLWNM-SJORKVTESA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000369914044 155229819 /nfs/dbraw/zinc/22/98/19/155229819.db2.gz XILUBZFRESLWNM-SJORKVTESA-N 2 1 338.496 1.365 20 0 EDADMP O=C(NCCN1CCc2sccc2C1)[C@H]1CCCc2[nH+]ccn21 ZINC000353032472 149260688 /nfs/dbraw/zinc/26/06/88/149260688.db2.gz WTETZUXRNWNECI-CQSZACIVSA-N 2 1 330.457 1.997 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)N1CC[NH+](C)CC1 ZINC000416959979 304355132 /nfs/dbraw/zinc/35/51/32/304355132.db2.gz QIPTUZRSXUNUKO-IRXDYDNUSA-N 2 1 339.528 1.075 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000416983850 304361322 /nfs/dbraw/zinc/36/13/22/304361322.db2.gz OFYYBSXWJIWMIH-UHFFFAOYSA-N 2 1 326.391 1.676 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)C2 ZINC000355249649 150183735 /nfs/dbraw/zinc/18/37/35/150183735.db2.gz AJJDYABABXCGCD-HZPDHXFCSA-N 2 1 334.464 1.107 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)C2 ZINC000355249649 150183738 /nfs/dbraw/zinc/18/37/38/150183738.db2.gz AJJDYABABXCGCD-HZPDHXFCSA-N 2 1 334.464 1.107 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000355349304 150227800 /nfs/dbraw/zinc/22/78/00/150227800.db2.gz NUWWJPQXAZYGKH-GOSISDBHSA-N 2 1 348.491 1.133 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000355349304 150227804 /nfs/dbraw/zinc/22/78/04/150227804.db2.gz NUWWJPQXAZYGKH-GOSISDBHSA-N 2 1 348.491 1.133 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000355546940 150309061 /nfs/dbraw/zinc/30/90/61/150309061.db2.gz QVRXIRYFUMGZTR-LBPRGKRZSA-N 2 1 332.452 1.683 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000355546940 150309062 /nfs/dbraw/zinc/30/90/62/150309062.db2.gz QVRXIRYFUMGZTR-LBPRGKRZSA-N 2 1 332.452 1.683 20 0 EDADMP C[C@@H](CNC(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417031418 304362934 /nfs/dbraw/zinc/36/29/34/304362934.db2.gz BTRIMFGYKZVYHE-MAUKXSAKSA-N 2 1 345.491 1.234 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(C)CC[NH+](C)CC3)cn2)CC1 ZINC000355765653 150392259 /nfs/dbraw/zinc/39/22/59/150392259.db2.gz KGUMWYMPYLMOGC-UHFFFAOYSA-N 3 1 332.496 1.050 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000370000225 155274770 /nfs/dbraw/zinc/27/47/70/155274770.db2.gz XBYKTNLINLCYMZ-HNNXBMFYSA-N 2 1 336.480 1.143 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417039890 304364727 /nfs/dbraw/zinc/36/47/27/304364727.db2.gz KQHWULKSTGWSRR-CVEARBPZSA-N 2 1 333.480 1.091 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417048802 304366954 /nfs/dbraw/zinc/36/69/54/304366954.db2.gz XWYKKLHQDLSJGV-SJORKVTESA-N 2 1 347.507 1.352 20 0 EDADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358162339 151292705 /nfs/dbraw/zinc/29/27/05/151292705.db2.gz HGTWLNJXBBNZHH-GOSISDBHSA-N 2 1 348.399 1.384 20 0 EDADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358162339 151292707 /nfs/dbraw/zinc/29/27/07/151292707.db2.gz HGTWLNJXBBNZHH-GOSISDBHSA-N 2 1 348.399 1.384 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000417121823 304374680 /nfs/dbraw/zinc/37/46/80/304374680.db2.gz XFTAMSJSFLXICK-IRXDYDNUSA-N 2 1 332.448 1.020 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000360495666 152068072 /nfs/dbraw/zinc/06/80/72/152068072.db2.gz MQVNVMUPLNJWPX-SJLPKXTDSA-N 2 1 330.476 1.265 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000360495666 152068075 /nfs/dbraw/zinc/06/80/75/152068075.db2.gz MQVNVMUPLNJWPX-SJLPKXTDSA-N 2 1 330.476 1.265 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NCC[N@H+](C)C2CC2)[C@@H](C)C1 ZINC000360855898 152230800 /nfs/dbraw/zinc/23/08/00/152230800.db2.gz FVUYXIJSRUUDLK-RDJZCZTQSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NCC[N@@H+](C)C2CC2)[C@@H](C)C1 ZINC000360855898 152230801 /nfs/dbraw/zinc/23/08/01/152230801.db2.gz FVUYXIJSRUUDLK-RDJZCZTQSA-N 2 1 340.512 1.517 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC000360955532 152263318 /nfs/dbraw/zinc/26/33/18/152263318.db2.gz JBCRUYDOMNJKBA-YCPHGPKFSA-N 2 1 338.496 1.853 20 0 EDADMP Cn1cc([C@@H]2[C@H](CNC(=O)NCC[N@@H+](C)C3CC3)CCC[NH+]2C)cn1 ZINC000361069017 152294661 /nfs/dbraw/zinc/29/46/61/152294661.db2.gz RROUABUNHDNYHZ-YOEHRIQHSA-N 2 1 348.495 1.196 20 0 EDADMP Cn1cc([C@@H]2[C@H](CNC(=O)NCC[NH+](C)C3CC3)CCC[N@@H+]2C)cn1 ZINC000361069017 152294663 /nfs/dbraw/zinc/29/46/63/152294663.db2.gz RROUABUNHDNYHZ-YOEHRIQHSA-N 2 1 348.495 1.196 20 0 EDADMP Cn1cc([C@@H]2[C@H](CNC(=O)NCC[NH+](C)C3CC3)CCC[N@H+]2C)cn1 ZINC000361069017 152294666 /nfs/dbraw/zinc/29/46/66/152294666.db2.gz RROUABUNHDNYHZ-YOEHRIQHSA-N 2 1 348.495 1.196 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1c1cncc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000342547019 297083433 /nfs/dbraw/zinc/08/34/33/297083433.db2.gz PXKOTDDJOSKJEY-SYMSYNOKSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cncc(N2C[C@@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000342547019 297083434 /nfs/dbraw/zinc/08/34/34/297083434.db2.gz PXKOTDDJOSKJEY-SYMSYNOKSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cncc(N2C[C@@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000342547019 297083437 /nfs/dbraw/zinc/08/34/37/297083437.db2.gz PXKOTDDJOSKJEY-SYMSYNOKSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417177719 304380649 /nfs/dbraw/zinc/38/06/49/304380649.db2.gz OTXGZCTXDHMHDL-NSHDSACASA-N 2 1 326.391 1.576 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1nnc(C2CC2)n1C ZINC000363707383 153035322 /nfs/dbraw/zinc/03/53/22/153035322.db2.gz QIVCYQIRILQUKE-BMFZPTHFSA-N 2 1 333.480 1.672 20 0 EDADMP C[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ncccn1 ZINC000363708465 153035527 /nfs/dbraw/zinc/03/55/27/153035527.db2.gz SUEYGCZZJQITGS-YHUYYLMFSA-N 2 1 347.463 1.283 20 0 EDADMP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)C1 ZINC000364305990 153201602 /nfs/dbraw/zinc/20/16/02/153201602.db2.gz QNXMWGLNMAZBJG-MWDXBVQZSA-N 2 1 338.496 1.269 20 0 EDADMP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)C1 ZINC000364305990 153201603 /nfs/dbraw/zinc/20/16/03/153201603.db2.gz QNXMWGLNMAZBJG-MWDXBVQZSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)CC[N@@H+]1C ZINC000364887410 153360912 /nfs/dbraw/zinc/36/09/12/153360912.db2.gz RXFJVTYQPBPJPX-CVEARBPZSA-N 2 1 347.507 1.666 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)CC[N@H+]1C ZINC000364887410 153360915 /nfs/dbraw/zinc/36/09/15/153360915.db2.gz RXFJVTYQPBPJPX-CVEARBPZSA-N 2 1 347.507 1.666 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)CC[NH+]1C ZINC000364887410 153360916 /nfs/dbraw/zinc/36/09/16/153360916.db2.gz RXFJVTYQPBPJPX-CVEARBPZSA-N 2 1 347.507 1.666 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)CC[NH+]1C ZINC000364887410 153360917 /nfs/dbraw/zinc/36/09/17/153360917.db2.gz RXFJVTYQPBPJPX-CVEARBPZSA-N 2 1 347.507 1.666 20 0 EDADMP CO[C@H]1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000417234161 304386655 /nfs/dbraw/zinc/38/66/55/304386655.db2.gz UMHRIRFMQRCYJF-IRXDYDNUSA-N 2 1 334.464 1.266 20 0 EDADMP CC[C@H](CSC)NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367615576 154200697 /nfs/dbraw/zinc/20/06/97/154200697.db2.gz BGQZXPGELWHSPP-ZIAGYGMSSA-N 2 1 328.526 1.596 20 0 EDADMP C[N@H+](C[C@@H](O)COc1ccccc1F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367721376 154243788 /nfs/dbraw/zinc/24/37/88/154243788.db2.gz NYKIHPKRZIBEJN-LSDHHAIUSA-N 2 1 333.407 1.956 20 0 EDADMP C[N@@H+](C[C@@H](O)COc1ccccc1F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367721376 154243791 /nfs/dbraw/zinc/24/37/91/154243791.db2.gz NYKIHPKRZIBEJN-LSDHHAIUSA-N 2 1 333.407 1.956 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000417306454 304392092 /nfs/dbraw/zinc/39/20/92/304392092.db2.gz CXWMKMVSXUJIPX-OAHLLOKOSA-N 2 1 340.418 1.934 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000417306454 304392093 /nfs/dbraw/zinc/39/20/93/304392093.db2.gz CXWMKMVSXUJIPX-OAHLLOKOSA-N 2 1 340.418 1.934 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000417345342 304393214 /nfs/dbraw/zinc/39/32/14/304393214.db2.gz UAOUGJRQBPAGKF-OXQOHEQNSA-N 2 1 342.487 1.828 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000369594417 155102638 /nfs/dbraw/zinc/10/26/38/155102638.db2.gz YIIMIIVAOCTNOE-UHFFFAOYSA-N 2 1 337.508 1.966 20 0 EDADMP C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369610883 155109428 /nfs/dbraw/zinc/10/94/28/155109428.db2.gz FIAPJZYUMATMNF-QZTJIDSGSA-N 2 1 329.444 1.955 20 0 EDADMP C[N@@H+](C[C@@H](O)COCc1ccccc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369610883 155109434 /nfs/dbraw/zinc/10/94/34/155109434.db2.gz FIAPJZYUMATMNF-QZTJIDSGSA-N 2 1 329.444 1.955 20 0 EDADMP CCOCCN1CCN(C(=O)[C@@]2(N(C)C)CCc3ccccc32)CC1 ZINC000371630253 156038308 /nfs/dbraw/zinc/03/83/08/156038308.db2.gz XBWDCTFEEONKTL-HXUWFJFHSA-N 2 1 345.487 1.570 20 0 EDADMP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000371871443 156146766 /nfs/dbraw/zinc/14/67/66/156146766.db2.gz ACCJFZIOYJWUPT-KRWDZBQOSA-N 2 1 337.508 1.870 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000372005634 156206536 /nfs/dbraw/zinc/20/65/36/156206536.db2.gz BRMXVBPOBVYVMF-IRXDYDNUSA-N 2 1 340.512 1.661 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000372005634 156206537 /nfs/dbraw/zinc/20/65/37/156206537.db2.gz BRMXVBPOBVYVMF-IRXDYDNUSA-N 2 1 340.512 1.661 20 0 EDADMP CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000372038873 156220701 /nfs/dbraw/zinc/22/07/01/156220701.db2.gz XHZCIPXLTKNKHT-HNNXBMFYSA-N 2 1 344.459 1.214 20 0 EDADMP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC1 ZINC000372402512 156373062 /nfs/dbraw/zinc/37/30/62/156373062.db2.gz BQUJMUZQHOZPRI-HKUYNNGSSA-N 2 1 330.476 1.923 20 0 EDADMP C[N@H+]1CCN(CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1(C)C ZINC000374206784 157193680 /nfs/dbraw/zinc/19/36/80/157193680.db2.gz URJJRMFPTPNISL-MRXNPFEDSA-N 2 1 345.491 1.650 20 0 EDADMP C[C@H]1CN(Cc2ncc(Cl)n2C)CC[N@@H+]1C1CCN(C)CC1 ZINC000374253131 157213212 /nfs/dbraw/zinc/21/32/12/157213212.db2.gz FBZYJIBJECWCBS-ZDUSSCGKSA-N 2 1 325.888 1.674 20 0 EDADMP Cc1nc([C@@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)no1 ZINC000374327775 157246536 /nfs/dbraw/zinc/24/65/36/157246536.db2.gz HIJQVHKYOKDRMK-QGZVFWFLSA-N 2 1 335.496 1.974 20 0 EDADMP COCCC[N@H+]1CCCN(CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000374337213 157249594 /nfs/dbraw/zinc/24/95/94/157249594.db2.gz LPLCYQADBYLOOI-UHFFFAOYSA-N 2 1 340.556 1.447 20 0 EDADMP COCCCN1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000374337213 157249596 /nfs/dbraw/zinc/24/95/96/157249596.db2.gz LPLCYQADBYLOOI-UHFFFAOYSA-N 2 1 340.556 1.447 20 0 EDADMP COCCCN1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000374337213 157249597 /nfs/dbraw/zinc/24/95/97/157249597.db2.gz LPLCYQADBYLOOI-UHFFFAOYSA-N 2 1 340.556 1.447 20 0 EDADMP Cc1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000374430779 157288258 /nfs/dbraw/zinc/28/82/58/157288258.db2.gz UGDPECIVFONBAA-IZBJGVDFSA-N 2 1 348.487 1.918 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000377881404 158019010 /nfs/dbraw/zinc/01/90/10/158019010.db2.gz YQZXEEAVPGEYMW-YJBOKZPZSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000377881404 158019011 /nfs/dbraw/zinc/01/90/11/158019011.db2.gz YQZXEEAVPGEYMW-YJBOKZPZSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000377881404 158019013 /nfs/dbraw/zinc/01/90/13/158019013.db2.gz YQZXEEAVPGEYMW-YJBOKZPZSA-N 2 1 343.487 1.672 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000377996766 158051210 /nfs/dbraw/zinc/05/12/10/158051210.db2.gz JUTVDKLLRVDZQP-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP CC[C@H](C)[C@H](O)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378305340 158134382 /nfs/dbraw/zinc/13/43/82/158134382.db2.gz BNHGRKGYOFYSAY-YJBOKZPZSA-N 2 1 339.524 1.706 20 0 EDADMP CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)[NH+](C)C ZINC000378322082 158140746 /nfs/dbraw/zinc/14/07/46/158140746.db2.gz ZWIIVTNYXKESQM-YLFCFFPRSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)[NH+](C)C ZINC000378322080 158140781 /nfs/dbraw/zinc/14/07/81/158140781.db2.gz ZWIIVTNYXKESQM-QBPKDAKJSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1ncsc1CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378539602 158204007 /nfs/dbraw/zinc/20/40/07/158204007.db2.gz OKJJPALTWGLRQG-UHFFFAOYSA-N 2 1 325.478 1.153 20 0 EDADMP COCc1noc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000378553059 158207005 /nfs/dbraw/zinc/20/70/05/158207005.db2.gz ULMWPBZTJPXEEX-UHFFFAOYSA-N 2 1 331.420 1.959 20 0 EDADMP COCc1noc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000378553059 158207007 /nfs/dbraw/zinc/20/70/07/158207007.db2.gz ULMWPBZTJPXEEX-UHFFFAOYSA-N 2 1 331.420 1.959 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352141038 162008845 /nfs/dbraw/zinc/00/88/45/162008845.db2.gz PWVKYGQMUNPACW-GOEBONIOSA-N 2 1 326.485 1.127 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000352442443 162183714 /nfs/dbraw/zinc/18/37/14/162183714.db2.gz QJFDZLIQEFFWDB-UHFFFAOYSA-N 2 1 329.439 1.511 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCC(=O)NCC(F)(F)F ZINC000364459073 162329739 /nfs/dbraw/zinc/32/97/39/162329739.db2.gz QHTSLDPFJOSZBW-FRRDWIJNSA-N 2 1 337.386 1.144 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000364459073 162329746 /nfs/dbraw/zinc/32/97/46/162329746.db2.gz QHTSLDPFJOSZBW-FRRDWIJNSA-N 2 1 337.386 1.144 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000364459073 162329749 /nfs/dbraw/zinc/32/97/49/162329749.db2.gz QHTSLDPFJOSZBW-FRRDWIJNSA-N 2 1 337.386 1.144 20 0 EDADMP CCCCOC[C@@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000365171899 162350559 /nfs/dbraw/zinc/35/05/59/162350559.db2.gz SMRSYZJTFJYDOV-ROUUACIJSA-N 2 1 327.513 1.264 20 0 EDADMP C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000074100628 287267554 /nfs/dbraw/zinc/26/75/54/287267554.db2.gz SDCNMDYKROYYSE-GDBMZVCRSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)N1CC[NH+](C)CC1 ZINC000075182236 287275905 /nfs/dbraw/zinc/27/59/05/287275905.db2.gz JMCVADDLSDCNKP-IBGZPJMESA-N 2 1 346.519 1.750 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077591723 287288851 /nfs/dbraw/zinc/28/88/51/287288851.db2.gz KUIMKYKDFPFAFT-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000079286058 287299390 /nfs/dbraw/zinc/29/93/90/287299390.db2.gz BPDBTUPKCUVKRW-UHFFFAOYSA-N 2 1 330.476 1.782 20 0 EDADMP CC[NH+]1CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000079286058 287299391 /nfs/dbraw/zinc/29/93/91/287299391.db2.gz BPDBTUPKCUVKRW-UHFFFAOYSA-N 2 1 330.476 1.782 20 0 EDADMP C[C@H](NC(=O)NCCCCN1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000119379705 287352473 /nfs/dbraw/zinc/35/24/73/287352473.db2.gz QIDZUCMSAADJDN-INIZCTEOSA-N 2 1 341.544 1.290 20 0 EDADMP CCOC1(C)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665762890 452340242 /nfs/dbraw/zinc/34/02/42/452340242.db2.gz SUSOUUMHRPSCEO-INIZCTEOSA-N 2 1 342.528 1.859 20 0 EDADMP CCOC1(C)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665762890 452340254 /nfs/dbraw/zinc/34/02/54/452340254.db2.gz SUSOUUMHRPSCEO-INIZCTEOSA-N 2 1 342.528 1.859 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1CCC(O)CC1 ZINC000665763628 452345459 /nfs/dbraw/zinc/34/54/59/452345459.db2.gz HNPLVBYOIYSOGQ-FHERZECASA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1CCC(O)CC1 ZINC000665763628 452345472 /nfs/dbraw/zinc/34/54/72/452345472.db2.gz HNPLVBYOIYSOGQ-FHERZECASA-N 2 1 328.501 1.109 20 0 EDADMP CCN(C(=O)NCCCC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663653134 452394265 /nfs/dbraw/zinc/39/42/65/452394265.db2.gz AXYQHCVRKXRIMW-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CCC[C@H]3C[NH3+])CC2)cs1 ZINC000237719732 273012288 /nfs/dbraw/zinc/01/22/88/273012288.db2.gz XBONCHOXVXHRNS-HOCLYGCPSA-N 2 1 336.505 1.907 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC2(C1)CCOCC2)c1ccccc1 ZINC000274681471 268182899 /nfs/dbraw/zinc/18/28/99/268182899.db2.gz XAEBTVOJBNGVRG-GOSISDBHSA-N 2 1 345.487 1.908 20 0 EDADMP COC(=O)CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274792926 268208209 /nfs/dbraw/zinc/20/82/09/268208209.db2.gz CQEXVPJLJMOORG-NVXWUHKLSA-N 2 1 347.459 1.166 20 0 EDADMP COC(=O)CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274792926 268208210 /nfs/dbraw/zinc/20/82/10/268208210.db2.gz CQEXVPJLJMOORG-NVXWUHKLSA-N 2 1 347.459 1.166 20 0 EDADMP C[N@H+](CCO)C1CC[NH+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000275635413 268366439 /nfs/dbraw/zinc/36/64/39/268366439.db2.gz OZCQTTZQHBKONQ-UHFFFAOYSA-N 2 1 345.487 1.350 20 0 EDADMP C[N@@H+](CCO)C1CC[NH+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000275635413 268366440 /nfs/dbraw/zinc/36/64/40/268366440.db2.gz OZCQTTZQHBKONQ-UHFFFAOYSA-N 2 1 345.487 1.350 20 0 EDADMP C[C@@H]1OCC[C@]1(O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000278903617 273269486 /nfs/dbraw/zinc/26/94/86/273269486.db2.gz VELNMQKOVFOTSV-KXBFYZLASA-N 2 1 336.451 1.962 20 0 EDADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c[nH+]ccc1N(C)C ZINC000278962850 273276953 /nfs/dbraw/zinc/27/69/53/273276953.db2.gz BCLOWBKSIVVVQJ-CQSZACIVSA-N 2 1 332.448 1.473 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1c[nH+]ccc1N(C)C ZINC000278962850 273276954 /nfs/dbraw/zinc/27/69/54/273276954.db2.gz BCLOWBKSIVVVQJ-CQSZACIVSA-N 2 1 332.448 1.473 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(O)(c3ccccc3)CC2)CC1 ZINC000283291528 273820181 /nfs/dbraw/zinc/82/01/81/273820181.db2.gz XYIAKEWMIWEWPC-UHFFFAOYSA-N 2 1 331.460 1.134 20 0 EDADMP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423058366 274038087 /nfs/dbraw/zinc/03/80/87/274038087.db2.gz BYCINJFQNFJOGZ-FCGDIQPGSA-N 2 1 334.460 1.890 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284046145 274059987 /nfs/dbraw/zinc/05/99/87/274059987.db2.gz QFMGZUOGZGGQTP-GOSISDBHSA-N 2 1 341.459 1.576 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000284667518 274286142 /nfs/dbraw/zinc/28/61/42/274286142.db2.gz XBOWBUVOEWWUGF-KBAYOESNSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)N(C)Cc1ccccc1 ZINC000284667518 274286146 /nfs/dbraw/zinc/28/61/46/274286146.db2.gz XBOWBUVOEWWUGF-KBAYOESNSA-N 2 1 331.460 1.438 20 0 EDADMP O=C1[C@@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1 ZINC000420350121 275028147 /nfs/dbraw/zinc/02/81/47/275028147.db2.gz RJOWESOFAWVPQS-IRXDYDNUSA-N 2 1 348.878 1.425 20 0 EDADMP O=C1[C@@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1 ZINC000420350121 275028149 /nfs/dbraw/zinc/02/81/49/275028149.db2.gz RJOWESOFAWVPQS-IRXDYDNUSA-N 2 1 348.878 1.425 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000367283285 277059030 /nfs/dbraw/zinc/05/90/30/277059030.db2.gz UIQZLKOVSDPLKT-SJORKVTESA-N 2 1 347.459 1.090 20 0 EDADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000305116340 277181084 /nfs/dbraw/zinc/18/10/84/277181084.db2.gz BRKJEPKXVBKWHV-HZPDHXFCSA-N 2 1 339.480 1.839 20 0 EDADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000305116340 277181086 /nfs/dbraw/zinc/18/10/86/277181086.db2.gz BRKJEPKXVBKWHV-HZPDHXFCSA-N 2 1 339.480 1.839 20 0 EDADMP COCC[NH2+]CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000361720086 277229365 /nfs/dbraw/zinc/22/93/65/277229365.db2.gz XFRXVJFHNZQXLS-CZUORRHYSA-N 2 1 325.478 1.483 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000333917241 277384181 /nfs/dbraw/zinc/38/41/81/277384181.db2.gz NRMFSBWILAVGLH-GOSISDBHSA-N 2 1 345.491 1.858 20 0 EDADMP CC(CC[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)CC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000411510544 278155943 /nfs/dbraw/zinc/15/59/43/278155943.db2.gz YXTOMPUKKUAMAW-GTYQWKCWSA-N 2 1 336.520 1.808 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000358588289 278185836 /nfs/dbraw/zinc/18/58/36/278185836.db2.gz GYVZTSJKWLDYBT-QGZVFWFLSA-N 2 1 341.544 1.386 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000358588289 278185837 /nfs/dbraw/zinc/18/58/37/278185837.db2.gz GYVZTSJKWLDYBT-QGZVFWFLSA-N 2 1 341.544 1.386 20 0 EDADMP C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000362768966 278282003 /nfs/dbraw/zinc/28/20/03/278282003.db2.gz INIFODHVBOMXLN-INIZCTEOSA-N 2 1 332.492 1.362 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069936909 279356386 /nfs/dbraw/zinc/35/63/86/279356386.db2.gz IDRLJQHYNVWCMK-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000360125031 279373840 /nfs/dbraw/zinc/37/38/40/279373840.db2.gz NFEFZGNRROJPRQ-HOTGVXAUSA-N 2 1 342.528 1.449 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000455221090 288177507 /nfs/dbraw/zinc/17/75/07/288177507.db2.gz FBECFNZEHSPNEK-OAHLLOKOSA-N 2 1 334.464 1.321 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000455221090 288177510 /nfs/dbraw/zinc/17/75/10/288177510.db2.gz FBECFNZEHSPNEK-OAHLLOKOSA-N 2 1 334.464 1.321 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000261731520 280143119 /nfs/dbraw/zinc/14/31/19/280143119.db2.gz HSGKGKZFQGLUEG-BRWVUGGUSA-N 2 1 337.508 1.722 20 0 EDADMP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000362564589 280167398 /nfs/dbraw/zinc/16/73/98/280167398.db2.gz MFQVMUNDXUKVBE-LSDHHAIUSA-N 2 1 331.464 1.577 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[NH+](CC)C(C)C)CC[N@H+]1C[C@@H](C)O ZINC000345357906 288262735 /nfs/dbraw/zinc/26/27/35/288262735.db2.gz VOFVHEOQFDOUAW-CVEARBPZSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[N@H+](CC)C(C)C)CC[NH+]1C[C@@H](C)O ZINC000345357906 288262736 /nfs/dbraw/zinc/26/27/36/288262736.db2.gz VOFVHEOQFDOUAW-CVEARBPZSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[N@@H+](CC)C(C)C)CC[NH+]1C[C@@H](C)O ZINC000345357906 288262737 /nfs/dbraw/zinc/26/27/37/288262737.db2.gz VOFVHEOQFDOUAW-CVEARBPZSA-N 2 1 328.501 1.203 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccnc3N)CC2)CC1 ZINC000290046348 288827783 /nfs/dbraw/zinc/82/77/83/288827783.db2.gz OJYDIDPNUMZGLK-UHFFFAOYSA-N 2 1 345.491 1.430 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000291670326 289144548 /nfs/dbraw/zinc/14/45/48/289144548.db2.gz BEDBIWYCXPFFNM-AOIWGVFYSA-N 2 1 345.487 1.734 20 0 EDADMP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000291701391 289155514 /nfs/dbraw/zinc/15/55/14/289155514.db2.gz AWLMOYVLVRQKOO-ROUUACIJSA-N 2 1 331.460 1.396 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000292030669 289243627 /nfs/dbraw/zinc/24/36/27/289243627.db2.gz GTNZYINUMSVZOU-LJQANCHMSA-N 2 1 344.503 1.582 20 0 EDADMP C[C@H](C(=O)NC1CCCC1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376799403 289346824 /nfs/dbraw/zinc/34/68/24/289346824.db2.gz QEBZLGGCWKWXQO-QAPCUYQASA-N 2 1 336.524 1.534 20 0 EDADMP C[C@H](C(=O)NC1CCCC1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376799403 289346826 /nfs/dbraw/zinc/34/68/26/289346826.db2.gz QEBZLGGCWKWXQO-QAPCUYQASA-N 2 1 336.524 1.534 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000420303303 289352316 /nfs/dbraw/zinc/35/23/16/289352316.db2.gz CRZBAZOUQKOTIB-FUHWJXTLSA-N 3 1 332.492 1.466 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C1CC1 ZINC000104856369 289361454 /nfs/dbraw/zinc/36/14/54/289361454.db2.gz NRTXDYUAHBXORU-MOPGFXCFSA-N 2 1 344.503 1.432 20 0 EDADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000091367814 290049369 /nfs/dbraw/zinc/04/93/69/290049369.db2.gz GTNMQOFTTCEUPS-QEJZJMRPSA-N 2 1 325.478 1.857 20 0 EDADMP Cn1cc(CN2C[C@H](F)C[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000354851090 294239062 /nfs/dbraw/zinc/23/90/62/294239062.db2.gz IKUQQVJYQDGUMI-XMTFNYHQSA-N 2 1 335.471 1.549 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000261936885 295411032 /nfs/dbraw/zinc/41/10/32/295411032.db2.gz KCXYLJWMNRDGBT-DZGCQCFKSA-N 2 1 335.473 1.263 20 0 EDADMP C[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C[NH+]1CCOCC1 ZINC000154992800 298723611 /nfs/dbraw/zinc/72/36/11/298723611.db2.gz BJPQQMJNDDOFPD-CQSZACIVSA-N 2 1 340.512 1.563 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]21 ZINC000456169588 447314260 /nfs/dbraw/zinc/31/42/60/447314260.db2.gz PMQUNFDDSGUYRY-MJGOQNOKSA-N 2 1 342.487 1.361 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000294231958 303080874 /nfs/dbraw/zinc/08/08/74/303080874.db2.gz WWMDTPFAMAACRO-MRXNPFEDSA-N 2 1 325.432 1.596 20 0 EDADMP CC[C@H](CO)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000295624775 303243600 /nfs/dbraw/zinc/24/36/00/303243600.db2.gz FKPMXIAFWLRIFO-LJQANCHMSA-N 2 1 347.503 1.732 20 0 EDADMP CC[C@H](CO)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000295624775 303243602 /nfs/dbraw/zinc/24/36/02/303243602.db2.gz FKPMXIAFWLRIFO-LJQANCHMSA-N 2 1 347.503 1.732 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@@H](C)C1 ZINC000448524948 447327295 /nfs/dbraw/zinc/32/72/95/447327295.db2.gz MLBDJSVNUBOARX-DZGCQCFKSA-N 2 1 336.484 1.358 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@@H](C)C1 ZINC000448524948 447327299 /nfs/dbraw/zinc/32/72/99/447327299.db2.gz MLBDJSVNUBOARX-DZGCQCFKSA-N 2 1 336.484 1.358 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000299023442 303579703 /nfs/dbraw/zinc/57/97/03/303579703.db2.gz RMLPSIHJNZTUQC-UHFFFAOYSA-N 2 1 330.432 1.952 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000377743055 447332307 /nfs/dbraw/zinc/33/23/07/447332307.db2.gz LHEHCHVZVLBLHZ-MRXNPFEDSA-N 2 1 325.432 1.596 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423400343 304894645 /nfs/dbraw/zinc/89/46/45/304894645.db2.gz QFVUKLXBCCUFFK-XEZPLFJOSA-N 2 1 325.478 1.586 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000423880846 304913078 /nfs/dbraw/zinc/91/30/78/304913078.db2.gz SGYGMMCVBPNZCM-PSBWJHGTSA-N 2 1 345.487 1.892 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000427880108 305000102 /nfs/dbraw/zinc/00/01/02/305000102.db2.gz ZNIOGPBGOYJHIH-MRXNPFEDSA-N 2 1 347.507 1.684 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N(C)C3CC[NH2+]CC3)CC2)cs1 ZINC000428295640 305009146 /nfs/dbraw/zinc/00/91/46/305009146.db2.gz LNZCKKWDDOVBCZ-UHFFFAOYSA-N 2 1 336.505 1.874 20 0 EDADMP CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430569644 305056298 /nfs/dbraw/zinc/05/62/98/305056298.db2.gz AFWDJDCFCZTEDP-CQSZACIVSA-N 2 1 337.468 1.621 20 0 EDADMP Cc1cccc(OCCCNC(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430569933 305056316 /nfs/dbraw/zinc/05/63/16/305056316.db2.gz YAPREMIRHOEVDV-SJORKVTESA-N 2 1 333.476 1.939 20 0 EDADMP Cc1cccc(OCCCNC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430569933 305056317 /nfs/dbraw/zinc/05/63/17/305056317.db2.gz YAPREMIRHOEVDV-SJORKVTESA-N 2 1 333.476 1.939 20 0 EDADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430574648 305056754 /nfs/dbraw/zinc/05/67/54/305056754.db2.gz TYEJVGUBKXDHPY-JJXSEGSLSA-N 2 1 347.459 1.390 20 0 EDADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430574648 305056755 /nfs/dbraw/zinc/05/67/55/305056755.db2.gz TYEJVGUBKXDHPY-JJXSEGSLSA-N 2 1 347.459 1.390 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH3+])C2)cc1Cl ZINC000430623340 305059841 /nfs/dbraw/zinc/05/98/41/305059841.db2.gz MUKYRFLBYSHSRS-LLVKDONJSA-N 2 1 338.839 1.438 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000430701058 305062715 /nfs/dbraw/zinc/06/27/15/305062715.db2.gz COVDAXFRGAHHKQ-RKVPGOIHSA-N 2 1 349.475 1.701 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)COC2C[NH2+]C2)cc1 ZINC000430753562 305064138 /nfs/dbraw/zinc/06/41/38/305064138.db2.gz IYVPLCWDXDKXPT-OAHLLOKOSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430934537 305069068 /nfs/dbraw/zinc/06/90/68/305069068.db2.gz PGGDJABZGGPBAI-SOLBZPMBSA-N 2 1 330.476 1.393 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430934537 305069069 /nfs/dbraw/zinc/06/90/69/305069069.db2.gz PGGDJABZGGPBAI-SOLBZPMBSA-N 2 1 330.476 1.393 20 0 EDADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000430973868 305071877 /nfs/dbraw/zinc/07/18/77/305071877.db2.gz ZANCXPFWOQVKRE-UHFFFAOYSA-N 2 1 332.448 1.258 20 0 EDADMP CCC[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1CC[NH2+]CC1 ZINC000431094770 305075068 /nfs/dbraw/zinc/07/50/68/305075068.db2.gz CMOSBGRSLSOPKS-KRWDZBQOSA-N 2 1 331.460 1.570 20 0 EDADMP CCC[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1CC[NH2+]CC1 ZINC000431094770 305075069 /nfs/dbraw/zinc/07/50/69/305075069.db2.gz CMOSBGRSLSOPKS-KRWDZBQOSA-N 2 1 331.460 1.570 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433379991 305106926 /nfs/dbraw/zinc/10/69/26/305106926.db2.gz XRZMFXFZDKBMSL-HOTGVXAUSA-N 2 1 348.495 1.587 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000434279927 305119623 /nfs/dbraw/zinc/11/96/23/305119623.db2.gz BKHBAWQNHRGGHX-CABCVRRESA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[N@H+]1C1CC1 ZINC000434279927 305119624 /nfs/dbraw/zinc/11/96/24/305119624.db2.gz BKHBAWQNHRGGHX-CABCVRRESA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[NH+]1C1CC1 ZINC000434279927 305119625 /nfs/dbraw/zinc/11/96/25/305119625.db2.gz BKHBAWQNHRGGHX-CABCVRRESA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[NH+]1C1CC1 ZINC000434279927 305119626 /nfs/dbraw/zinc/11/96/26/305119626.db2.gz BKHBAWQNHRGGHX-CABCVRRESA-N 2 1 338.496 1.364 20 0 EDADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)CC[C@H](C)[NH3+])CC2 ZINC000434671989 305127053 /nfs/dbraw/zinc/12/70/53/305127053.db2.gz LAFQDKKXHJFHMR-ZDUSSCGKSA-N 2 1 335.448 1.306 20 0 EDADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)CC[C@H](C)[NH3+])CC2 ZINC000434671989 305127054 /nfs/dbraw/zinc/12/70/54/305127054.db2.gz LAFQDKKXHJFHMR-ZDUSSCGKSA-N 2 1 335.448 1.306 20 0 EDADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)CC[C@@H](C)[NH3+])CC2 ZINC000434671988 305127184 /nfs/dbraw/zinc/12/71/84/305127184.db2.gz LAFQDKKXHJFHMR-CYBMUJFWSA-N 2 1 335.448 1.306 20 0 EDADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)CC[C@@H](C)[NH3+])CC2 ZINC000434671988 305127185 /nfs/dbraw/zinc/12/71/85/305127185.db2.gz LAFQDKKXHJFHMR-CYBMUJFWSA-N 2 1 335.448 1.306 20 0 EDADMP C[C@H]([NH3+])CCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000434682239 305127547 /nfs/dbraw/zinc/12/75/47/305127547.db2.gz BJJUHZYEQXQCDZ-INIZCTEOSA-N 3 1 338.540 1.769 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1OCC(=O)N1CCCC1 ZINC000435393528 305139731 /nfs/dbraw/zinc/13/97/31/305139731.db2.gz GRDFBWADEMTBJI-INIZCTEOSA-N 2 1 347.459 1.477 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OCC(=O)N1CCCC1 ZINC000435393528 305139732 /nfs/dbraw/zinc/13/97/32/305139732.db2.gz GRDFBWADEMTBJI-INIZCTEOSA-N 2 1 347.459 1.477 20 0 EDADMP CC[N@H+](CC(=O)NCCOc1cccc(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435626115 305143995 /nfs/dbraw/zinc/14/39/95/305143995.db2.gz NOUGFUFDBCQIAN-KRWDZBQOSA-N 2 1 333.476 1.954 20 0 EDADMP CC[N@@H+](CC(=O)NCCOc1cccc(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435626115 305143996 /nfs/dbraw/zinc/14/39/96/305143996.db2.gz NOUGFUFDBCQIAN-KRWDZBQOSA-N 2 1 333.476 1.954 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC[C@@H]3CCOC3)CC2)C1 ZINC000438107982 305181471 /nfs/dbraw/zinc/18/14/71/305181471.db2.gz DXTLABCEILSXRK-QZTJIDSGSA-N 2 1 325.497 1.140 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000438890910 305190830 /nfs/dbraw/zinc/19/08/30/305190830.db2.gz RJAQTLYUGXFOTL-YOEHRIQHSA-N 2 1 328.460 1.838 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC[N@H+]1C ZINC000442144590 305226185 /nfs/dbraw/zinc/22/61/85/305226185.db2.gz IGPIPDKLUJEOMP-YOEHRIQHSA-N 2 1 346.475 1.328 20 0 EDADMP Cc1cccc(OCCCNC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443063823 305234403 /nfs/dbraw/zinc/23/44/03/305234403.db2.gz XGUNZRQVXXRRTE-KRWDZBQOSA-N 2 1 333.476 1.941 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000414898074 447349094 /nfs/dbraw/zinc/34/90/94/447349094.db2.gz FVZHOHOIAHMIKM-SJORKVTESA-N 2 1 344.459 1.430 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000444548777 305250295 /nfs/dbraw/zinc/25/02/95/305250295.db2.gz KQJVUQBIZRIIPJ-DLBZAZTESA-N 2 1 339.524 1.801 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000444548777 305250296 /nfs/dbraw/zinc/25/02/96/305250296.db2.gz KQJVUQBIZRIIPJ-DLBZAZTESA-N 2 1 339.524 1.801 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000446372862 305264006 /nfs/dbraw/zinc/26/40/06/305264006.db2.gz YDZYROPEDVKQKL-ZHEXZJMTSA-N 2 1 337.508 1.898 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000446493187 305265682 /nfs/dbraw/zinc/26/56/82/305265682.db2.gz NWNQQNRMOWFVKP-KRWDZBQOSA-N 2 1 340.512 1.520 20 0 EDADMP C[C@H]1CCC[NH+](CCCCNC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000446493187 305265683 /nfs/dbraw/zinc/26/56/83/305265683.db2.gz NWNQQNRMOWFVKP-KRWDZBQOSA-N 2 1 340.512 1.520 20 0 EDADMP C[C@H]1CCC[NH+](CCCCNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000446493187 305265684 /nfs/dbraw/zinc/26/56/84/305265684.db2.gz NWNQQNRMOWFVKP-KRWDZBQOSA-N 2 1 340.512 1.520 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)N1CC[NH+](C)CC1 ZINC000446575225 305267190 /nfs/dbraw/zinc/26/71/90/305267190.db2.gz IRTVTRDMMWKYFK-INIZCTEOSA-N 2 1 339.528 1.042 20 0 EDADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)cccc21 ZINC000447723988 305284476 /nfs/dbraw/zinc/28/44/76/305284476.db2.gz SMVOHRPLABVWEN-IAGOWNOFSA-N 2 1 344.459 1.400 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[C@H](C)O1 ZINC000449082992 305306148 /nfs/dbraw/zinc/30/61/48/305306148.db2.gz ROXNDZWZKXTYIZ-VKJFTORMSA-N 2 1 331.460 1.730 20 0 EDADMP C[C@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@@H+](C2CC2)C1 ZINC000449348370 305312310 /nfs/dbraw/zinc/31/23/10/305312310.db2.gz UHBXSBSLQCTHGA-INIZCTEOSA-N 2 1 344.507 1.145 20 0 EDADMP C[C@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@H+](C2CC2)C1 ZINC000449348370 305312311 /nfs/dbraw/zinc/31/23/11/305312311.db2.gz UHBXSBSLQCTHGA-INIZCTEOSA-N 2 1 344.507 1.145 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000449725583 305318040 /nfs/dbraw/zinc/31/80/40/305318040.db2.gz OBASFRZMVICVCM-FUHWJXTLSA-N 2 1 330.476 1.291 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452067306 305381892 /nfs/dbraw/zinc/38/18/92/305381892.db2.gz IDCJJUYUBSSRNI-JFRXWTBNSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@H](C)C[C@H](O)C1 ZINC000452067306 305381893 /nfs/dbraw/zinc/38/18/93/305381893.db2.gz IDCJJUYUBSSRNI-JFRXWTBNSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@H](C)C[C@H](O)C1 ZINC000452067306 305381894 /nfs/dbraw/zinc/38/18/94/305381894.db2.gz IDCJJUYUBSSRNI-JFRXWTBNSA-N 2 1 345.487 1.468 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn2c1CCC2 ZINC000448854210 447353799 /nfs/dbraw/zinc/35/37/99/447353799.db2.gz UCYVLTFLWQHSRD-HNNXBMFYSA-N 2 1 333.480 1.317 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC000514925465 305709660 /nfs/dbraw/zinc/70/96/60/305709660.db2.gz WZGDELXFDQIXKJ-KRWDZBQOSA-N 2 1 344.459 1.661 20 0 EDADMP C[C@H](NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000517225419 305749862 /nfs/dbraw/zinc/74/98/62/305749862.db2.gz XMNNDCWZSUYFLZ-JKSUJKDBSA-N 2 1 340.512 1.374 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000519829490 305776293 /nfs/dbraw/zinc/77/62/93/305776293.db2.gz WNRROUNIJIDGCZ-UHFFFAOYSA-N 3 1 331.464 1.552 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[N@H+](CC)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000425951775 447366401 /nfs/dbraw/zinc/36/64/01/447366401.db2.gz QVNZHZJQSFVIRS-DLBZAZTESA-N 2 1 340.512 1.469 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[N@@H+](CC)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000425951775 447366403 /nfs/dbraw/zinc/36/64/03/447366403.db2.gz QVNZHZJQSFVIRS-DLBZAZTESA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@H+]1C1CC1 ZINC000414945773 447367148 /nfs/dbraw/zinc/36/71/48/447367148.db2.gz SCRVZTKHAMUDBP-LRDDRELGSA-N 2 1 342.443 1.012 20 0 EDADMP C[N@@H+](CCc1cccc(NC(=O)[C@H]2C[NH+]3CCN2CCC3)c1)C1CC1 ZINC000537168515 306026476 /nfs/dbraw/zinc/02/64/76/306026476.db2.gz XRCTVAJFNLFVMK-LJQANCHMSA-N 2 1 342.487 1.652 20 0 EDADMP C[NH+](CCc1cccc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1)C1CC1 ZINC000537168515 306026477 /nfs/dbraw/zinc/02/64/77/306026477.db2.gz XRCTVAJFNLFVMK-LJQANCHMSA-N 2 1 342.487 1.652 20 0 EDADMP C[NH+](CCc1cccc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)c1)C1CC1 ZINC000537168515 306026478 /nfs/dbraw/zinc/02/64/78/306026478.db2.gz XRCTVAJFNLFVMK-LJQANCHMSA-N 2 1 342.487 1.652 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000543751454 306069287 /nfs/dbraw/zinc/06/92/87/306069287.db2.gz ZGBBGOFQLCXDDK-DOTOQJQBSA-N 2 1 338.496 1.293 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000543751454 306069288 /nfs/dbraw/zinc/06/92/88/306069288.db2.gz ZGBBGOFQLCXDDK-DOTOQJQBSA-N 2 1 338.496 1.293 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000547297988 306098034 /nfs/dbraw/zinc/09/80/34/306098034.db2.gz MQBGDPJHYXQXKM-LJQANCHMSA-N 2 1 346.475 1.148 20 0 EDADMP CC[C@H](COC)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000553477517 306185376 /nfs/dbraw/zinc/18/53/76/306185376.db2.gz BWUIDDWEERUAAA-MRXNPFEDSA-N 2 1 325.497 1.724 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000557225885 306226976 /nfs/dbraw/zinc/22/69/76/306226976.db2.gz AMWKIYOUKRGNCJ-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000557225885 306226977 /nfs/dbraw/zinc/22/69/77/306226977.db2.gz AMWKIYOUKRGNCJ-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)CC[N@@H+]1C ZINC000426030249 447382256 /nfs/dbraw/zinc/38/22/56/447382256.db2.gz NXXKTSBHCWKFDZ-ZFWWWQNUSA-N 2 1 331.526 1.651 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)CC[N@H+]1C ZINC000426030249 447382261 /nfs/dbraw/zinc/38/22/61/447382261.db2.gz NXXKTSBHCWKFDZ-ZFWWWQNUSA-N 2 1 331.526 1.651 20 0 EDADMP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414979913 447383751 /nfs/dbraw/zinc/38/37/51/447383751.db2.gz VEOIMOMYNKTBGF-ZGXWSNOMSA-N 2 1 328.504 1.390 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000414985027 447385476 /nfs/dbraw/zinc/38/54/76/447385476.db2.gz MSDLBSXIKJIMSI-RHSMWYFYSA-N 2 1 346.475 1.978 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 ZINC000378117973 447402461 /nfs/dbraw/zinc/40/24/61/447402461.db2.gz FEAZFQHOHVBGED-GVDBMIGSSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000378117973 447402468 /nfs/dbraw/zinc/40/24/68/447402468.db2.gz FEAZFQHOHVBGED-GVDBMIGSSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000378117973 447402472 /nfs/dbraw/zinc/40/24/72/447402472.db2.gz FEAZFQHOHVBGED-GVDBMIGSSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000378117973 447402475 /nfs/dbraw/zinc/40/24/75/447402475.db2.gz FEAZFQHOHVBGED-GVDBMIGSSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000378117973 447402480 /nfs/dbraw/zinc/40/24/80/447402480.db2.gz FEAZFQHOHVBGED-GVDBMIGSSA-N 2 1 340.512 1.659 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC2CCCCC2)C1 ZINC000044714933 440877840 /nfs/dbraw/zinc/87/78/40/440877840.db2.gz WTWBXYLHMRRTPR-GOSISDBHSA-N 2 1 339.524 1.972 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CC2CCCCC2)C1 ZINC000044714933 440877850 /nfs/dbraw/zinc/87/78/50/440877850.db2.gz WTWBXYLHMRRTPR-GOSISDBHSA-N 2 1 339.524 1.972 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CC2CCCCC2)C1 ZINC000044714933 440877863 /nfs/dbraw/zinc/87/78/63/440877863.db2.gz WTWBXYLHMRRTPR-GOSISDBHSA-N 2 1 339.524 1.972 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH+](C)C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000057701038 441127896 /nfs/dbraw/zinc/12/78/96/441127896.db2.gz JMDQQYNATSRUGY-AIANPOQGSA-N 2 1 325.497 1.719 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH+](C)C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000057701038 441127898 /nfs/dbraw/zinc/12/78/98/441127898.db2.gz JMDQQYNATSRUGY-AIANPOQGSA-N 2 1 325.497 1.719 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000057701038 441127900 /nfs/dbraw/zinc/12/79/00/441127900.db2.gz JMDQQYNATSRUGY-AIANPOQGSA-N 2 1 325.497 1.719 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000057701038 441127903 /nfs/dbraw/zinc/12/79/03/441127903.db2.gz JMDQQYNATSRUGY-AIANPOQGSA-N 2 1 325.497 1.719 20 0 EDADMP CC[N@@H+](CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000101978489 441164393 /nfs/dbraw/zinc/16/43/93/441164393.db2.gz ZGPKDNHZEYKIMP-GASCZTMLSA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH+](CCNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000101978489 441164398 /nfs/dbraw/zinc/16/43/98/441164398.db2.gz ZGPKDNHZEYKIMP-GASCZTMLSA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH+](CCNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000101978489 441164403 /nfs/dbraw/zinc/16/44/03/441164403.db2.gz ZGPKDNHZEYKIMP-GASCZTMLSA-N 2 1 326.485 1.269 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CC[NH+]1CCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000103115711 441175826 /nfs/dbraw/zinc/17/58/26/441175826.db2.gz XVFXSHSLJIENJH-ZACQAIPSSA-N 2 1 325.497 1.674 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000103534883 441184168 /nfs/dbraw/zinc/18/41/68/441184168.db2.gz GHHMBNJGLLEJDJ-BBWFWOEESA-N 2 1 327.513 1.920 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000103534883 441184172 /nfs/dbraw/zinc/18/41/72/441184172.db2.gz GHHMBNJGLLEJDJ-BBWFWOEESA-N 2 1 327.513 1.920 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000105135016 441237136 /nfs/dbraw/zinc/23/71/36/441237136.db2.gz CCLGKHZUJJOJDK-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000105135016 441237140 /nfs/dbraw/zinc/23/71/40/441237140.db2.gz CCLGKHZUJJOJDK-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000105135016 441237142 /nfs/dbraw/zinc/23/71/42/441237142.db2.gz CCLGKHZUJJOJDK-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccs1 ZINC000060348654 441237761 /nfs/dbraw/zinc/23/77/61/441237761.db2.gz XDGBXXRUBQQLSW-CQSZACIVSA-N 2 1 345.534 1.785 20 0 EDADMP CC(C)OC(=O)CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000072630446 441243146 /nfs/dbraw/zinc/24/31/46/441243146.db2.gz JTUBCORMNOIWDJ-UHFFFAOYSA-N 2 1 339.480 1.204 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000378531037 447439401 /nfs/dbraw/zinc/43/94/01/447439401.db2.gz SQUXYFNHVYWELP-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000106514800 441348398 /nfs/dbraw/zinc/34/83/98/441348398.db2.gz BJWVGNCJEPRLLS-AWEZNQCLSA-N 2 1 339.528 1.231 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000073131527 441297059 /nfs/dbraw/zinc/29/70/59/441297059.db2.gz SIGBDXMIUMUVQY-GOSISDBHSA-N 2 1 346.475 1.225 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000073131527 441297062 /nfs/dbraw/zinc/29/70/62/441297062.db2.gz SIGBDXMIUMUVQY-GOSISDBHSA-N 2 1 346.475 1.225 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000112310180 441547333 /nfs/dbraw/zinc/54/73/33/441547333.db2.gz RTHIIPKSYUNQES-IXDOHACOSA-N 2 1 327.513 1.968 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000112310180 441547335 /nfs/dbraw/zinc/54/73/35/441547335.db2.gz RTHIIPKSYUNQES-IXDOHACOSA-N 2 1 327.513 1.968 20 0 EDADMP CCCC[NH+](C)CCNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000112310180 441547338 /nfs/dbraw/zinc/54/73/38/441547338.db2.gz RTHIIPKSYUNQES-IXDOHACOSA-N 2 1 327.513 1.968 20 0 EDADMP CCCC[NH+](C)CCNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000112310180 441547342 /nfs/dbraw/zinc/54/73/42/441547342.db2.gz RTHIIPKSYUNQES-IXDOHACOSA-N 2 1 327.513 1.968 20 0 EDADMP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000075841791 441558611 /nfs/dbraw/zinc/55/86/11/441558611.db2.gz JDXCHXUKUIDYHZ-QGZVFWFLSA-N 2 1 344.503 1.798 20 0 EDADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000075841791 441558614 /nfs/dbraw/zinc/55/86/14/441558614.db2.gz JDXCHXUKUIDYHZ-QGZVFWFLSA-N 2 1 344.503 1.798 20 0 EDADMP CC1CC[NH+](CC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089961713 441605235 /nfs/dbraw/zinc/60/52/35/441605235.db2.gz XPWAVGKAMKTGGR-RBUKOAKNSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000113454729 441609433 /nfs/dbraw/zinc/60/94/33/441609433.db2.gz DSDFDUOTDSLDPQ-PKOBYXMFSA-N 2 1 344.503 1.385 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090518065 441632696 /nfs/dbraw/zinc/63/26/96/441632696.db2.gz JDHXJUSOJCTRSS-IAGOWNOFSA-N 2 1 338.496 1.415 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090518065 441632699 /nfs/dbraw/zinc/63/26/99/441632699.db2.gz JDHXJUSOJCTRSS-IAGOWNOFSA-N 2 1 338.496 1.415 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113514842 441613406 /nfs/dbraw/zinc/61/34/06/441613406.db2.gz LSEPPGVCPMBMCE-NVXWUHKLSA-N 2 1 335.448 1.268 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113514842 441613409 /nfs/dbraw/zinc/61/34/09/441613409.db2.gz LSEPPGVCPMBMCE-NVXWUHKLSA-N 2 1 335.448 1.268 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCSC1 ZINC000136513555 441701878 /nfs/dbraw/zinc/70/18/78/441701878.db2.gz AFSPCXJCEYTKBF-KRWDZBQOSA-N 2 1 348.516 1.600 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173403163 441735942 /nfs/dbraw/zinc/73/59/42/441735942.db2.gz FQONHGGVDRSRGO-HUUCEWRRSA-N 2 1 339.505 1.929 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173403163 441735945 /nfs/dbraw/zinc/73/59/45/441735945.db2.gz FQONHGGVDRSRGO-HUUCEWRRSA-N 2 1 339.505 1.929 20 0 EDADMP C[NH+](C)C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000173408030 441737686 /nfs/dbraw/zinc/73/76/86/441737686.db2.gz DQTZMMAPRSYNMZ-SJORKVTESA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116397452 441817008 /nfs/dbraw/zinc/81/70/08/441817008.db2.gz OBKSMWUBLNNDFJ-ZIAGYGMSSA-N 2 1 328.501 1.813 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000077549518 441804262 /nfs/dbraw/zinc/80/42/62/441804262.db2.gz LMDRZYRRSRRUDD-CALCHBBNSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[NH+]1CCCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000077549518 441804270 /nfs/dbraw/zinc/80/42/70/441804270.db2.gz LMDRZYRRSRRUDD-CALCHBBNSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[NH+]1CCCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000077549518 441804276 /nfs/dbraw/zinc/80/42/76/441804276.db2.gz LMDRZYRRSRRUDD-CALCHBBNSA-N 2 1 340.512 1.613 20 0 EDADMP COc1cccc([C@@H](CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)[NH+](C)C)c1 ZINC000121931077 441814356 /nfs/dbraw/zinc/81/43/56/441814356.db2.gz XYDQCBGDZKKUDV-CRAIPNDOSA-N 2 1 348.491 1.050 20 0 EDADMP COC[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000173974458 441871637 /nfs/dbraw/zinc/87/16/37/441871637.db2.gz YWSMCZYSPWQJTP-OAHLLOKOSA-N 2 1 335.448 1.472 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@H+]1C ZINC000173744334 441833494 /nfs/dbraw/zinc/83/34/94/441833494.db2.gz FKBDUHVSUUXLIN-DOTOQJQBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@@H+]1C ZINC000173744334 441833497 /nfs/dbraw/zinc/83/34/97/441833497.db2.gz FKBDUHVSUUXLIN-DOTOQJQBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@H+]1C ZINC000173744334 441833499 /nfs/dbraw/zinc/83/34/99/441833499.db2.gz FKBDUHVSUUXLIN-DOTOQJQBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000173891259 441856929 /nfs/dbraw/zinc/85/69/29/441856929.db2.gz UICSJUIDFHHWQM-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000118118408 441891418 /nfs/dbraw/zinc/89/14/18/441891418.db2.gz WLZPMYSQWMCADL-CYBMUJFWSA-N 2 1 332.448 1.417 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000118118408 441891424 /nfs/dbraw/zinc/89/14/24/441891424.db2.gz WLZPMYSQWMCADL-CYBMUJFWSA-N 2 1 332.448 1.417 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000118118408 441891429 /nfs/dbraw/zinc/89/14/29/441891429.db2.gz WLZPMYSQWMCADL-CYBMUJFWSA-N 2 1 332.448 1.417 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000118118408 441891435 /nfs/dbraw/zinc/89/14/35/441891435.db2.gz WLZPMYSQWMCADL-CYBMUJFWSA-N 2 1 332.448 1.417 20 0 EDADMP COc1ccncc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000119557732 441940053 /nfs/dbraw/zinc/94/00/53/441940053.db2.gz CNJGKTJTZRPTNJ-CQSZACIVSA-N 2 1 348.447 1.657 20 0 EDADMP COC(=O)C1CCN(C(=O)[C@@H](C)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000152373101 442204414 /nfs/dbraw/zinc/20/44/14/442204414.db2.gz KUCRWVOWUGPHSK-HUUCEWRRSA-N 2 1 339.480 1.060 20 0 EDADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000166027680 442213579 /nfs/dbraw/zinc/21/35/79/442213579.db2.gz VKASFVGPXSFESC-ZSYWTGECSA-N 3 1 341.540 1.822 20 0 EDADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000166027680 442213582 /nfs/dbraw/zinc/21/35/82/442213582.db2.gz VKASFVGPXSFESC-ZSYWTGECSA-N 2 1 341.540 1.822 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000177140358 442304079 /nfs/dbraw/zinc/30/40/79/442304079.db2.gz UPUWSXPWKCQSLD-GOSISDBHSA-N 2 1 332.492 1.432 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000171194301 442325627 /nfs/dbraw/zinc/32/56/27/442325627.db2.gz GQYCRQUNGNWZHD-QGZVFWFLSA-N 2 1 342.528 1.764 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000171415608 442346169 /nfs/dbraw/zinc/34/61/69/442346169.db2.gz WKFZDSQTRUTLNY-QGZVFWFLSA-N 2 1 340.512 1.326 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000129428371 442316062 /nfs/dbraw/zinc/31/60/62/442316062.db2.gz LRYLPOULHJEYMR-DLBZAZTESA-N 2 1 340.512 1.326 20 0 EDADMP CC[N@@H+](CC(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)C1CC1 ZINC000154937536 442365701 /nfs/dbraw/zinc/36/57/01/442365701.db2.gz LQKBFVRFHZHJJI-UHFFFAOYSA-N 2 1 332.448 1.977 20 0 EDADMP C[NH+](CC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CCSC1 ZINC000132354921 442391929 /nfs/dbraw/zinc/39/19/29/442391929.db2.gz UTINHOWWKRFRFY-MRXNPFEDSA-N 2 1 339.480 1.811 20 0 EDADMP C[NH+](CCNC(=O)C[N@H+](C)[C@@H]1CCSC1)Cc1ccc(F)cc1 ZINC000132354921 442391932 /nfs/dbraw/zinc/39/19/32/442391932.db2.gz UTINHOWWKRFRFY-MRXNPFEDSA-N 2 1 339.480 1.811 20 0 EDADMP C[NH+](CCNC(=O)C[N@@H+](C)[C@@H]1CCSC1)Cc1ccc(F)cc1 ZINC000132354921 442391935 /nfs/dbraw/zinc/39/19/35/442391935.db2.gz UTINHOWWKRFRFY-MRXNPFEDSA-N 2 1 339.480 1.811 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CN2CCOCC2)[C@H](C)C1 ZINC000178068683 442405507 /nfs/dbraw/zinc/40/55/07/442405507.db2.gz KCSFYVJJDZXAEG-SQNIBIBYSA-N 2 1 327.513 1.434 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000178392234 442429532 /nfs/dbraw/zinc/42/95/32/442429532.db2.gz GAJJBAIMGLSNDV-HNNXBMFYSA-N 2 1 331.526 1.642 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000133820863 442435993 /nfs/dbraw/zinc/43/59/93/442435993.db2.gz XGLREBZSVBTXLN-AWEZNQCLSA-N 2 1 336.461 1.220 20 0 EDADMP COc1ccc(OC)c([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000178667983 442454381 /nfs/dbraw/zinc/45/43/81/442454381.db2.gz XKPKCPCBYWZRKP-AWEZNQCLSA-N 2 1 335.448 1.519 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000191511311 442456458 /nfs/dbraw/zinc/45/64/58/442456458.db2.gz RHJRPGIDDNPNBL-IBGZPJMESA-N 2 1 338.540 1.057 20 0 EDADMP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000172747024 442531581 /nfs/dbraw/zinc/53/15/81/442531581.db2.gz INGPMQCRFPEVES-QGZVFWFLSA-N 2 1 332.448 1.462 20 0 EDADMP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000172747024 442531584 /nfs/dbraw/zinc/53/15/84/442531584.db2.gz INGPMQCRFPEVES-QGZVFWFLSA-N 2 1 332.448 1.462 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000186763160 442607312 /nfs/dbraw/zinc/60/73/12/442607312.db2.gz GCJYEYZKKKDAGN-ZOBUZTSGSA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000186763160 442607314 /nfs/dbraw/zinc/60/73/14/442607314.db2.gz GCJYEYZKKKDAGN-ZOBUZTSGSA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)CC1 ZINC000135558399 442611799 /nfs/dbraw/zinc/61/17/99/442611799.db2.gz OPGYFYDBIFUHRO-HOTGVXAUSA-N 2 1 341.521 1.182 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCS[C@H]3COCC[C@@H]32)CC1 ZINC000135558399 442611801 /nfs/dbraw/zinc/61/18/01/442611801.db2.gz OPGYFYDBIFUHRO-HOTGVXAUSA-N 2 1 341.521 1.182 20 0 EDADMP CCC(CC)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC)C1)N1CCOCC1 ZINC000173178470 442617243 /nfs/dbraw/zinc/61/72/43/442617243.db2.gz RCZOMNPNVVCTAJ-DOTOQJQBSA-N 2 1 325.497 1.581 20 0 EDADMP C[C@@H]1C[C@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000180998999 442673729 /nfs/dbraw/zinc/67/37/29/442673729.db2.gz KSAUNFKXKOBACU-CRAIPNDOSA-N 2 1 332.492 1.550 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CCN1C ZINC000180998999 442673730 /nfs/dbraw/zinc/67/37/30/442673730.db2.gz KSAUNFKXKOBACU-CRAIPNDOSA-N 2 1 332.492 1.550 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000188448928 442751184 /nfs/dbraw/zinc/75/11/84/442751184.db2.gz NEGIFYPJFCHJNH-LSDHHAIUSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188448928 442751185 /nfs/dbraw/zinc/75/11/85/442751185.db2.gz NEGIFYPJFCHJNH-LSDHHAIUSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188448928 442751187 /nfs/dbraw/zinc/75/11/87/442751187.db2.gz NEGIFYPJFCHJNH-LSDHHAIUSA-N 2 1 328.501 1.203 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000182301346 442755325 /nfs/dbraw/zinc/75/53/25/442755325.db2.gz JSQAEJMWUFWWHP-OAHLLOKOSA-N 2 1 339.480 1.203 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000182301346 442755327 /nfs/dbraw/zinc/75/53/27/442755327.db2.gz JSQAEJMWUFWWHP-OAHLLOKOSA-N 2 1 339.480 1.203 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000246523877 442789179 /nfs/dbraw/zinc/78/91/79/442789179.db2.gz RLHQXHFURKIIGO-RVKKMQEKSA-N 2 1 331.460 1.859 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000246523877 442789182 /nfs/dbraw/zinc/78/91/82/442789182.db2.gz RLHQXHFURKIIGO-RVKKMQEKSA-N 2 1 331.460 1.859 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000265518778 442805928 /nfs/dbraw/zinc/80/59/28/442805928.db2.gz HNJWHUFKGWZKRW-QGZVFWFLSA-N 2 1 334.464 1.138 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000265518778 442805931 /nfs/dbraw/zinc/80/59/31/442805931.db2.gz HNJWHUFKGWZKRW-QGZVFWFLSA-N 2 1 334.464 1.138 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000265518778 442805932 /nfs/dbraw/zinc/80/59/32/442805932.db2.gz HNJWHUFKGWZKRW-QGZVFWFLSA-N 2 1 334.464 1.138 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000246372900 442776862 /nfs/dbraw/zinc/77/68/62/442776862.db2.gz GQKDKGXWXSSVRC-JKSUJKDBSA-N 2 1 328.501 1.326 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000246384296 442777968 /nfs/dbraw/zinc/77/79/68/442777968.db2.gz RVSAMIBAQGLSKS-OAGGEKHMSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000246384296 442777973 /nfs/dbraw/zinc/77/79/73/442777973.db2.gz RVSAMIBAQGLSKS-OAGGEKHMSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000246384296 442777979 /nfs/dbraw/zinc/77/79/79/442777979.db2.gz RVSAMIBAQGLSKS-OAGGEKHMSA-N 2 1 326.485 1.079 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+]2CCOC)[C@@H](C)C1 ZINC000246419263 442780653 /nfs/dbraw/zinc/78/06/53/442780653.db2.gz LSJOJNBBBGRDHQ-ULQDDVLXSA-N 2 1 340.512 1.469 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)[C@@H](C)C1 ZINC000246419263 442780658 /nfs/dbraw/zinc/78/06/58/442780658.db2.gz LSJOJNBBBGRDHQ-ULQDDVLXSA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CCOCC2)[C@@H](C)C1 ZINC000246418133 442781060 /nfs/dbraw/zinc/78/10/60/442781060.db2.gz LMPDAKQFGDRCGE-JYJNAYRXSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1CCOCC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000246744291 442810083 /nfs/dbraw/zinc/81/00/83/442810083.db2.gz PSQHBJQSNHJNBY-MHORFTMASA-N 2 1 328.497 1.474 20 0 EDADMP C[C@@H](O)C[C@@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246744291 442810086 /nfs/dbraw/zinc/81/00/86/442810086.db2.gz PSQHBJQSNHJNBY-MHORFTMASA-N 2 1 328.497 1.474 20 0 EDADMP C[C@@H](O)C[C@@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246744291 442810089 /nfs/dbraw/zinc/81/00/89/442810089.db2.gz PSQHBJQSNHJNBY-MHORFTMASA-N 2 1 328.497 1.474 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCCCC3)cc2C1 ZINC000193913968 442811585 /nfs/dbraw/zinc/81/15/85/442811585.db2.gz XUKUSRBLDCKQJV-UHFFFAOYSA-N 2 1 330.432 1.173 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCCCC3)cc2C1 ZINC000193913968 442811587 /nfs/dbraw/zinc/81/15/87/442811587.db2.gz XUKUSRBLDCKQJV-UHFFFAOYSA-N 2 1 330.432 1.173 20 0 EDADMP C[C@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246786474 442812854 /nfs/dbraw/zinc/81/28/54/442812854.db2.gz POQRSTDRGRVPKH-IXDOHACOSA-N 2 1 337.508 1.819 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000265604891 442842925 /nfs/dbraw/zinc/84/29/25/442842925.db2.gz MQJKFHSGMSCXNX-AEFFLSMTSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000265604891 442842926 /nfs/dbraw/zinc/84/29/26/442842926.db2.gz MQJKFHSGMSCXNX-AEFFLSMTSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000265604891 442842933 /nfs/dbraw/zinc/84/29/33/442842933.db2.gz MQJKFHSGMSCXNX-AEFFLSMTSA-N 2 1 348.491 1.527 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCC(=O)NC3CCCC3)C2)CC1 ZINC000182888573 442842363 /nfs/dbraw/zinc/84/23/63/442842363.db2.gz FSDGLIORFLCELR-GOSISDBHSA-N 2 1 336.524 1.537 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCC(=O)NC3CCCC3)C2)CC1 ZINC000182888573 442842365 /nfs/dbraw/zinc/84/23/65/442842365.db2.gz FSDGLIORFLCELR-GOSISDBHSA-N 2 1 336.524 1.537 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000194168569 442856521 /nfs/dbraw/zinc/85/65/21/442856521.db2.gz VHHCXIVSLBANIF-SJLPKXTDSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[N@H+]1C1CC1 ZINC000189218951 442899180 /nfs/dbraw/zinc/89/91/80/442899180.db2.gz MFOLKXDGEBIGEO-KFWWJZLASA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[NH+]1C1CC1 ZINC000189218951 442899182 /nfs/dbraw/zinc/89/91/82/442899182.db2.gz MFOLKXDGEBIGEO-KFWWJZLASA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[NH+]1C1CC1 ZINC000189218951 442899186 /nfs/dbraw/zinc/89/91/86/442899186.db2.gz MFOLKXDGEBIGEO-KFWWJZLASA-N 2 1 338.496 1.098 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247441668 442853623 /nfs/dbraw/zinc/85/36/23/442853623.db2.gz XBDPFBZYECGEOI-IVSAIRAKSA-N 2 1 325.497 1.706 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247441668 442853627 /nfs/dbraw/zinc/85/36/27/442853627.db2.gz XBDPFBZYECGEOI-IVSAIRAKSA-N 2 1 325.497 1.706 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000194816879 442958104 /nfs/dbraw/zinc/95/81/04/442958104.db2.gz CVTWPFVOVIWLRE-CALCHBBNSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000194816879 442958109 /nfs/dbraw/zinc/95/81/09/442958109.db2.gz CVTWPFVOVIWLRE-CALCHBBNSA-N 2 1 340.512 1.613 20 0 EDADMP CCN(CC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183767776 442962979 /nfs/dbraw/zinc/96/29/79/442962979.db2.gz WWRSWVJENXXZFV-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CCN(CC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183767776 442962980 /nfs/dbraw/zinc/96/29/80/442962980.db2.gz WWRSWVJENXXZFV-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)/C=C/C[NH+](C)C)cc2)CC1 ZINC000266317069 443095851 /nfs/dbraw/zinc/09/58/51/443095851.db2.gz PNKYJFWMZCDRON-SNAWJCMRSA-N 2 1 346.475 1.369 20 0 EDADMP C[C@H](CCNC(=O)NCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000184684028 443058999 /nfs/dbraw/zinc/05/89/99/443058999.db2.gz RQKNNFAECQMZOB-MRXNPFEDSA-N 2 1 326.485 1.272 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000266454927 443132025 /nfs/dbraw/zinc/13/20/25/443132025.db2.gz CIHFROLJZNAFFN-KRWDZBQOSA-N 2 1 336.480 1.557 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CCn1cccn1)c1ccccc1 ZINC000184969965 443108398 /nfs/dbraw/zinc/10/83/98/443108398.db2.gz SNBXSGHKSXGXFM-KRWDZBQOSA-N 2 1 329.448 1.234 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CCn1cccn1)c1ccccc1 ZINC000184969965 443108401 /nfs/dbraw/zinc/10/84/01/443108401.db2.gz SNBXSGHKSXGXFM-KRWDZBQOSA-N 2 1 329.448 1.234 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268793079 443109637 /nfs/dbraw/zinc/10/96/37/443109637.db2.gz CLUMAJTVYXMWSQ-IEBWSBKVSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000268793079 443109639 /nfs/dbraw/zinc/10/96/39/443109639.db2.gz CLUMAJTVYXMWSQ-IEBWSBKVSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1CN(C)CCN1C(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261735076 443166722 /nfs/dbraw/zinc/16/67/22/443166722.db2.gz LFWKKPQHSDHZTA-IAQYHMDHSA-N 2 1 340.265 1.786 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)C[NH3+])C2)cc(OC)c1 ZINC000237333427 443168724 /nfs/dbraw/zinc/16/87/24/443168724.db2.gz GVYFJOAIRQXLSZ-AWEZNQCLSA-N 2 1 335.448 1.379 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(C)(C)C[NH3+])C2)cc(OC)c1 ZINC000237333427 443168729 /nfs/dbraw/zinc/16/87/29/443168729.db2.gz GVYFJOAIRQXLSZ-AWEZNQCLSA-N 2 1 335.448 1.379 20 0 EDADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261970304 443177156 /nfs/dbraw/zinc/17/71/56/443177156.db2.gz QLVKGRQAXWOMOT-IPMKNSEASA-N 3 1 347.503 1.874 20 0 EDADMP COC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000262395482 443192541 /nfs/dbraw/zinc/19/25/41/443192541.db2.gz ZEYVFIQYKWWMJG-BZSNNMDCSA-N 2 1 331.460 1.473 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)[C@H](C)c2ccncc2)C1 ZINC000245746651 443248254 /nfs/dbraw/zinc/24/82/54/443248254.db2.gz WWKNIRRBVKMHPR-AEFFLSMTSA-N 2 1 348.491 1.547 20 0 EDADMP CC(C)CN1CCO[C@@H](CNC(=O)CN(C)[C@H](C)c2ccncc2)C1 ZINC000245746651 443248258 /nfs/dbraw/zinc/24/82/58/443248258.db2.gz WWKNIRRBVKMHPR-AEFFLSMTSA-N 2 1 348.491 1.547 20 0 EDADMP COC(=O)CN1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411559206 319184760 /nfs/dbraw/zinc/18/47/60/319184760.db2.gz HPNSBVKZTLTROQ-UHFFFAOYSA-N 2 1 345.487 1.963 20 0 EDADMP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000413076530 319262784 /nfs/dbraw/zinc/26/27/84/319262784.db2.gz QXGBVLONCDJDRV-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000413076530 319262786 /nfs/dbraw/zinc/26/27/86/319262786.db2.gz QXGBVLONCDJDRV-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC)C1)[NH+]1CCOCC1 ZINC000413077723 319262881 /nfs/dbraw/zinc/26/28/81/319262881.db2.gz BRLSTOQKKILLJA-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP C[N@H+](Cc1ccccc1N1CCCC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414676409 319340404 /nfs/dbraw/zinc/34/04/04/319340404.db2.gz HRRCPPHMUFFDAF-KRWDZBQOSA-N 2 1 344.503 1.916 20 0 EDADMP c1ccc(OCCN2CCOCC2)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000415082538 319345908 /nfs/dbraw/zinc/34/59/08/319345908.db2.gz ONOLMMAEGLSONS-GOSISDBHSA-N 2 1 333.476 1.629 20 0 EDADMP C[C@@]1(C[NH2+]Cc2ccccc2OCCN2CCOCC2)CC[NH2+]C1 ZINC000415087716 319346771 /nfs/dbraw/zinc/34/67/71/319346771.db2.gz WMPQLCZHAKJBMX-LJQANCHMSA-N 2 1 333.476 1.487 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@H]3C)c2C1 ZINC000415739352 319368588 /nfs/dbraw/zinc/36/85/88/319368588.db2.gz HZCMHQNQZBOLKM-DOMZBBRYSA-N 2 1 330.432 1.299 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@H]3C)c2C1 ZINC000415739352 319368590 /nfs/dbraw/zinc/36/85/90/319368590.db2.gz HZCMHQNQZBOLKM-DOMZBBRYSA-N 2 1 330.432 1.299 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000415955440 319384248 /nfs/dbraw/zinc/38/42/48/319384248.db2.gz MXJGSBOPQPBYEI-MAUKXSAKSA-N 2 1 346.475 1.981 20 0 EDADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416161299 319394212 /nfs/dbraw/zinc/39/42/12/319394212.db2.gz QKCOPVUEWDOQSA-KRWDZBQOSA-N 2 1 345.487 1.662 20 0 EDADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416161299 319394213 /nfs/dbraw/zinc/39/42/13/319394213.db2.gz QKCOPVUEWDOQSA-KRWDZBQOSA-N 2 1 345.487 1.662 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CN(C)CCO3)cc2)C1 ZINC000266926187 443292283 /nfs/dbraw/zinc/29/22/83/443292283.db2.gz QZJKWDCNWVDENT-QAPCUYQASA-N 2 1 347.459 1.676 20 0 EDADMP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3C[NH+](C)CCO3)cc2)C1 ZINC000266926187 443292288 /nfs/dbraw/zinc/29/22/88/443292288.db2.gz QZJKWDCNWVDENT-QAPCUYQASA-N 2 1 347.459 1.676 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3C[NH+](C)CCO3)cc2)C1 ZINC000266926187 443292294 /nfs/dbraw/zinc/29/22/94/443292294.db2.gz QZJKWDCNWVDENT-QAPCUYQASA-N 2 1 347.459 1.676 20 0 EDADMP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)cc2)C1 ZINC000266926187 443292299 /nfs/dbraw/zinc/29/22/99/443292299.db2.gz QZJKWDCNWVDENT-QAPCUYQASA-N 2 1 347.459 1.676 20 0 EDADMP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2)C1 ZINC000266926187 443292302 /nfs/dbraw/zinc/29/23/02/443292302.db2.gz QZJKWDCNWVDENT-QAPCUYQASA-N 2 1 347.459 1.676 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000269280027 443265316 /nfs/dbraw/zinc/26/53/16/443265316.db2.gz DWIKYIWFTRGEAH-FQEVSTJZSA-N 2 1 344.503 1.440 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000416825818 319464226 /nfs/dbraw/zinc/46/42/26/319464226.db2.gz BCFBOZYCBRBEJS-ZBFHGGJFSA-N 2 1 334.464 1.597 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)CC[N@@H+]1C ZINC000282434737 443338451 /nfs/dbraw/zinc/33/84/51/443338451.db2.gz MMSIYLSNQRNMFP-IKGGRYGDSA-N 2 1 331.460 1.739 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)CC[N@H+]1C ZINC000282434737 443338454 /nfs/dbraw/zinc/33/84/54/443338454.db2.gz MMSIYLSNQRNMFP-IKGGRYGDSA-N 2 1 331.460 1.739 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2C[NH+](C)CCN2C)cc1 ZINC000264708492 443384141 /nfs/dbraw/zinc/38/41/41/443384141.db2.gz FEVRVPJSLBWOPZ-IBGZPJMESA-N 2 1 346.519 1.894 20 0 EDADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000264708492 443384147 /nfs/dbraw/zinc/38/41/47/443384147.db2.gz FEVRVPJSLBWOPZ-IBGZPJMESA-N 2 1 346.519 1.894 20 0 EDADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000264708492 443384149 /nfs/dbraw/zinc/38/41/49/443384149.db2.gz FEVRVPJSLBWOPZ-IBGZPJMESA-N 2 1 346.519 1.894 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)/C=C/C[NH+](C)C)cc2)CC1 ZINC000264663974 443365777 /nfs/dbraw/zinc/36/57/77/443365777.db2.gz WMYNXLMAGUTIIF-AATRIKPKSA-N 2 1 344.503 1.558 20 0 EDADMP C[C@@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)C1=CC[NH+](C)CC1 ZINC000272701411 443413384 /nfs/dbraw/zinc/41/33/84/443413384.db2.gz FROCPIVPUSOESY-MRXNPFEDSA-N 2 1 342.487 1.994 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+]1CCc2ccccc2C1)C1=CC[N@H+](C)CC1 ZINC000272701411 443413386 /nfs/dbraw/zinc/41/33/86/443413386.db2.gz FROCPIVPUSOESY-MRXNPFEDSA-N 2 1 342.487 1.994 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+]1CCc2ccccc2C1)C1=CC[N@@H+](C)CC1 ZINC000272701411 443413388 /nfs/dbraw/zinc/41/33/88/443413388.db2.gz FROCPIVPUSOESY-MRXNPFEDSA-N 2 1 342.487 1.994 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000282801556 443437708 /nfs/dbraw/zinc/43/77/08/443437708.db2.gz MWCHFGGTDQPDRB-MSOLQXFVSA-N 2 1 345.487 1.734 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000282801556 443437712 /nfs/dbraw/zinc/43/77/12/443437712.db2.gz MWCHFGGTDQPDRB-MSOLQXFVSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000282801556 443437716 /nfs/dbraw/zinc/43/77/16/443437716.db2.gz MWCHFGGTDQPDRB-MSOLQXFVSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000282801556 443437720 /nfs/dbraw/zinc/43/77/20/443437720.db2.gz MWCHFGGTDQPDRB-MSOLQXFVSA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000269689132 443396711 /nfs/dbraw/zinc/39/67/11/443396711.db2.gz WEGRBBBXIZLOMQ-RDJZCZTQSA-N 2 1 333.480 1.083 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)c1 ZINC000278840056 443457507 /nfs/dbraw/zinc/45/75/07/443457507.db2.gz ZNKZTHCKWZTYOH-GOSISDBHSA-N 2 1 331.460 1.870 20 0 EDADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423364703 319766970 /nfs/dbraw/zinc/76/69/70/319766970.db2.gz OXXNOWGUUDZCLH-UKRRQHHQSA-N 2 1 325.478 1.730 20 0 EDADMP Cc1ccc(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000283220024 443564501 /nfs/dbraw/zinc/56/45/01/443564501.db2.gz SSNPOMAQVAKMPG-UHFFFAOYSA-N 2 1 344.503 1.590 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000286074366 443640790 /nfs/dbraw/zinc/64/07/90/443640790.db2.gz GVPPWVIRGGXKOY-OQIJWPOYSA-N 2 1 327.472 1.775 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000286074366 443640793 /nfs/dbraw/zinc/64/07/93/443640793.db2.gz GVPPWVIRGGXKOY-OQIJWPOYSA-N 2 1 327.472 1.775 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000286074366 443640795 /nfs/dbraw/zinc/64/07/95/443640795.db2.gz GVPPWVIRGGXKOY-OQIJWPOYSA-N 2 1 327.472 1.775 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(C[NH3+])cc2)CC1=O ZINC000275181311 443622705 /nfs/dbraw/zinc/62/27/05/443622705.db2.gz VEOPLLUXGANNOL-RDJZCZTQSA-N 2 1 344.459 1.417 20 0 EDADMP C[C@]1(O)CCC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000279875155 443633689 /nfs/dbraw/zinc/63/36/89/443633689.db2.gz CEZFFAJHKFJLAM-IBGZPJMESA-N 2 1 346.475 1.357 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000438080124 320033116 /nfs/dbraw/zinc/03/31/16/320033116.db2.gz NOEIZBBXDCMQCN-HOTGVXAUSA-N 2 1 334.464 1.779 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000438080124 320033118 /nfs/dbraw/zinc/03/31/18/320033118.db2.gz NOEIZBBXDCMQCN-HOTGVXAUSA-N 2 1 334.464 1.779 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000286195328 443665584 /nfs/dbraw/zinc/66/55/84/443665584.db2.gz RYDBDCZSPYYONX-XYVMCAHJSA-N 2 1 331.460 1.390 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000286195328 443665587 /nfs/dbraw/zinc/66/55/87/443665587.db2.gz RYDBDCZSPYYONX-XYVMCAHJSA-N 2 1 331.460 1.390 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CCCC1 ZINC000457441381 320325945 /nfs/dbraw/zinc/32/59/45/320325945.db2.gz QOFIINNSHIBHAJ-HNNXBMFYSA-N 2 1 326.485 1.007 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000457452374 320326488 /nfs/dbraw/zinc/32/64/88/320326488.db2.gz HLZAFABZMHBPMU-INIZCTEOSA-N 2 1 326.485 1.005 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](CCO)C[C@H]1C)CC(C)C ZINC000457596740 320330100 /nfs/dbraw/zinc/33/01/00/320330100.db2.gz BTUFJIBLSXMSGU-SJORKVTESA-N 2 1 342.528 1.451 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C)CC(C)C ZINC000457596740 320330101 /nfs/dbraw/zinc/33/01/01/320330101.db2.gz BTUFJIBLSXMSGU-SJORKVTESA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)C2C[NH+](C3CCCCC3)C2)CCCO1 ZINC000457747172 320334798 /nfs/dbraw/zinc/33/47/98/320334798.db2.gz DOCKPEDLRGPEBT-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP CN(c1ccccc1C[N@H+]1CC[C@@](C)(C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000280341405 443698224 /nfs/dbraw/zinc/69/82/24/443698224.db2.gz SBLDAQDVDNAAGO-HXUWFJFHSA-N 2 1 344.503 1.914 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CCCCO ZINC000276469571 443717538 /nfs/dbraw/zinc/71/75/38/443717538.db2.gz YRHUUDZPQDQUIG-QGZVFWFLSA-N 2 1 347.503 1.860 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285055720 443839440 /nfs/dbraw/zinc/83/94/40/443839440.db2.gz BRBCXXQAAQMDKS-SJLPKXTDSA-N 2 1 347.459 1.172 20 0 EDADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NC(N)=O ZINC000298891872 443895123 /nfs/dbraw/zinc/89/51/23/443895123.db2.gz XEGPPMRUUCFZQI-ZIAGYGMSSA-N 2 1 332.448 1.592 20 0 EDADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[NH+](C)C ZINC000298739002 443854013 /nfs/dbraw/zinc/85/40/13/443854013.db2.gz XWTZAHZZVQIBBQ-OKZBNKHCSA-N 2 1 333.476 1.326 20 0 EDADMP C[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000288661323 443948241 /nfs/dbraw/zinc/94/82/41/443948241.db2.gz YSMCNHKACWLJBQ-WMZOPIPTSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000288661323 443948246 /nfs/dbraw/zinc/94/82/46/443948246.db2.gz YSMCNHKACWLJBQ-WMZOPIPTSA-N 2 1 333.476 1.470 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)cn2cc[nH+]c12 ZINC000293197408 443948641 /nfs/dbraw/zinc/94/86/41/443948641.db2.gz YZCUVHUIBIGILX-UHFFFAOYSA-N 2 1 343.431 1.570 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293010630 443901204 /nfs/dbraw/zinc/90/12/04/443901204.db2.gz PRCLGFKCDQQDEW-ICSRJNTNSA-N 2 1 348.487 1.990 20 0 EDADMP CC[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC000281402595 443901379 /nfs/dbraw/zinc/90/13/79/443901379.db2.gz NQNWMHZSZSALRN-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP CC[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC000281402595 443901384 /nfs/dbraw/zinc/90/13/84/443901384.db2.gz NQNWMHZSZSALRN-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](O)CC1 ZINC000293245227 443961284 /nfs/dbraw/zinc/96/12/84/443961284.db2.gz SZEJQAZCINXMQY-BHIYHBOVSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](O)CC1 ZINC000293245227 443961286 /nfs/dbraw/zinc/96/12/86/443961286.db2.gz SZEJQAZCINXMQY-BHIYHBOVSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](O)CC1 ZINC000293245227 443961290 /nfs/dbraw/zinc/96/12/90/443961290.db2.gz SZEJQAZCINXMQY-BHIYHBOVSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000281670140 443975163 /nfs/dbraw/zinc/97/51/63/443975163.db2.gz SYGYCTKJDHBWMQ-DLBZAZTESA-N 2 1 345.487 1.810 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000281670140 443975167 /nfs/dbraw/zinc/97/51/67/443975167.db2.gz SYGYCTKJDHBWMQ-DLBZAZTESA-N 2 1 345.487 1.810 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000277484273 443992471 /nfs/dbraw/zinc/99/24/71/443992471.db2.gz JCJPMXWTVCXZMQ-JCGIZDLHSA-N 2 1 331.460 1.400 20 0 EDADMP O=C1CNC(=O)N1CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285560917 444029164 /nfs/dbraw/zinc/02/91/64/444029164.db2.gz NBXKCJOUROYTEB-LJQANCHMSA-N 2 1 342.443 1.136 20 0 EDADMP O=C1CNC(=O)N1CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285560917 444029166 /nfs/dbraw/zinc/02/91/66/444029166.db2.gz NBXKCJOUROYTEB-LJQANCHMSA-N 2 1 342.443 1.136 20 0 EDADMP O=C1CNC(=O)N1CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285560917 444029171 /nfs/dbraw/zinc/02/91/71/444029171.db2.gz NBXKCJOUROYTEB-LJQANCHMSA-N 2 1 342.443 1.136 20 0 EDADMP O=C1CNC(=O)N1CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285560917 444029174 /nfs/dbraw/zinc/02/91/74/444029174.db2.gz NBXKCJOUROYTEB-LJQANCHMSA-N 2 1 342.443 1.136 20 0 EDADMP Cc1cccc(OC[C@@H](O)C[N@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000289165298 444067576 /nfs/dbraw/zinc/06/75/76/444067576.db2.gz DWXLBFFYKMMNHY-SFHVURJKSA-N 2 1 337.508 1.550 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH+]3C)c2)CCO1 ZINC000299572928 444082513 /nfs/dbraw/zinc/08/25/13/444082513.db2.gz RXETWFWHVNERFV-CRAIPNDOSA-N 2 1 331.460 1.618 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH+]3C)c2)CCO1 ZINC000299572928 444082515 /nfs/dbraw/zinc/08/25/15/444082515.db2.gz RXETWFWHVNERFV-CRAIPNDOSA-N 2 1 331.460 1.618 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@H]3CCC[N@@H+]3C)c2)CCO1 ZINC000299572928 444082519 /nfs/dbraw/zinc/08/25/19/444082519.db2.gz RXETWFWHVNERFV-CRAIPNDOSA-N 2 1 331.460 1.618 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@H]3CCC[N@H+]3C)c2)CCO1 ZINC000299572928 444082523 /nfs/dbraw/zinc/08/25/23/444082523.db2.gz RXETWFWHVNERFV-CRAIPNDOSA-N 2 1 331.460 1.618 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000563792702 321113967 /nfs/dbraw/zinc/11/39/67/321113967.db2.gz YJKYUDYFFDMUFW-ZACQAIPSSA-N 2 1 338.496 1.269 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000565040911 321165835 /nfs/dbraw/zinc/16/58/35/321165835.db2.gz MAVSHURDEZDPEV-INIZCTEOSA-N 2 1 332.492 1.062 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000565608823 321193888 /nfs/dbraw/zinc/19/38/88/321193888.db2.gz YHSWCQNBWCQYQI-QGZVFWFLSA-N 2 1 343.556 1.758 20 0 EDADMP COC(=O)C1CC[NH+](CCCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000565960112 321208105 /nfs/dbraw/zinc/20/81/05/321208105.db2.gz XFGPSYIZTCFXFV-UHFFFAOYSA-N 2 1 339.480 1.110 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000566000704 321209676 /nfs/dbraw/zinc/20/96/76/321209676.db2.gz UCLSLIREPZYEME-FUHWJXTLSA-N 2 1 331.460 1.775 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000566000704 321209678 /nfs/dbraw/zinc/20/96/78/321209678.db2.gz UCLSLIREPZYEME-FUHWJXTLSA-N 2 1 331.460 1.775 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)CCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000566165425 321220433 /nfs/dbraw/zinc/22/04/33/321220433.db2.gz PCQGZAUXBLTGKV-GOSISDBHSA-N 2 1 332.492 1.610 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)CCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000566165425 321220435 /nfs/dbraw/zinc/22/04/35/321220435.db2.gz PCQGZAUXBLTGKV-GOSISDBHSA-N 2 1 332.492 1.610 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)CCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000566165425 321220437 /nfs/dbraw/zinc/22/04/37/321220437.db2.gz PCQGZAUXBLTGKV-GOSISDBHSA-N 2 1 332.492 1.610 20 0 EDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000567041217 321239713 /nfs/dbraw/zinc/23/97/13/321239713.db2.gz ANXWNSLBEBWDIS-WBVHZDCISA-N 2 1 338.540 1.591 20 0 EDADMP CN1C(=O)CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000567662853 321251788 /nfs/dbraw/zinc/25/17/88/321251788.db2.gz WWLDYNYWMHYCHI-XMTFNYHQSA-N 2 1 341.455 1.919 20 0 EDADMP CN1C(=O)CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC000567662853 321251790 /nfs/dbraw/zinc/25/17/90/321251790.db2.gz WWLDYNYWMHYCHI-XMTFNYHQSA-N 2 1 341.455 1.919 20 0 EDADMP CCC[C@H](O)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000568661066 321301174 /nfs/dbraw/zinc/30/11/74/321301174.db2.gz FDLLNBHEUFWZTG-KRWDZBQOSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000570943742 321365851 /nfs/dbraw/zinc/36/58/51/321365851.db2.gz SISDXXAJBDFXQN-BFYDXBDKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000570943742 321365853 /nfs/dbraw/zinc/36/58/53/321365853.db2.gz SISDXXAJBDFXQN-BFYDXBDKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000570943742 321365855 /nfs/dbraw/zinc/36/58/55/321365855.db2.gz SISDXXAJBDFXQN-BFYDXBDKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+]1CC(C)C1 ZINC000571102682 321371349 /nfs/dbraw/zinc/37/13/49/321371349.db2.gz SMZLIJSTKAXABR-VQIMIIECSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC(C)C1 ZINC000571102682 321371351 /nfs/dbraw/zinc/37/13/51/321371351.db2.gz SMZLIJSTKAXABR-VQIMIIECSA-N 2 1 331.460 1.080 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3cnn(C)c3)CC2)CC1 ZINC000571548018 321391169 /nfs/dbraw/zinc/39/11/69/321391169.db2.gz GHOIGBDVSGMDQZ-OAHLLOKOSA-N 2 1 347.507 1.794 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CCC4OCCO4)CC3)C2)cc1 ZINC000285796681 444110797 /nfs/dbraw/zinc/11/07/97/444110797.db2.gz FRHDAEDYXHGKDN-LJQANCHMSA-N 2 1 345.487 1.642 20 0 EDADMP C[NH2+][C@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000285906593 444149100 /nfs/dbraw/zinc/14/91/00/444149100.db2.gz DDMKQKWZOQEWOB-QAPCUYQASA-N 2 1 343.475 1.707 20 0 EDADMP C[NH2+][C@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000285906593 444149105 /nfs/dbraw/zinc/14/91/05/444149105.db2.gz DDMKQKWZOQEWOB-QAPCUYQASA-N 2 1 343.475 1.707 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000573940715 321464185 /nfs/dbraw/zinc/46/41/85/321464185.db2.gz XLDNBDAECBJXDO-SFHVURJKSA-N 2 1 346.475 1.318 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000575921661 321534751 /nfs/dbraw/zinc/53/47/51/321534751.db2.gz HNJVWOYBFRDNEF-UHFFFAOYSA-N 2 1 339.443 1.874 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000576105279 321542584 /nfs/dbraw/zinc/54/25/84/321542584.db2.gz SMQFPCGCIVEDQF-FUHWJXTLSA-N 2 1 330.476 1.265 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(-n2cncn2)cc1Cl ZINC000576458104 321568007 /nfs/dbraw/zinc/56/80/07/321568007.db2.gz IWCUQCCEUKMCQZ-GFCCVEGCSA-N 2 1 348.838 1.003 20 0 EDADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000290239221 444258105 /nfs/dbraw/zinc/25/81/05/444258105.db2.gz VHRGWAHJSPQIAH-HZPDHXFCSA-N 2 1 331.464 1.567 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)CN2CCOCC2)C1 ZINC000304018863 444239859 /nfs/dbraw/zinc/23/98/59/444239859.db2.gz WYTHSFZOQVGBOY-QRVBRYPASA-N 2 1 339.524 1.266 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)CN2CCOCC2)C1 ZINC000304018863 444239860 /nfs/dbraw/zinc/23/98/60/444239860.db2.gz WYTHSFZOQVGBOY-QRVBRYPASA-N 2 1 339.524 1.266 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000304018863 444239862 /nfs/dbraw/zinc/23/98/62/444239862.db2.gz WYTHSFZOQVGBOY-QRVBRYPASA-N 2 1 339.524 1.266 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000304018863 444239863 /nfs/dbraw/zinc/23/98/63/444239863.db2.gz WYTHSFZOQVGBOY-QRVBRYPASA-N 2 1 339.524 1.266 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)CC(F)(F)C[NH3+])CCCC2)CC1 ZINC000577740709 321678743 /nfs/dbraw/zinc/67/87/43/321678743.db2.gz NAGORCYHDYENLX-UHFFFAOYSA-N 2 1 333.423 1.510 20 0 EDADMP c1n[nH]cc1CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000297570454 444302641 /nfs/dbraw/zinc/30/26/41/444302641.db2.gz HTZAOOCIROCKGM-HXUWFJFHSA-N 2 1 339.487 1.844 20 0 EDADMP c1n[nH]cc1CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000297570454 444302643 /nfs/dbraw/zinc/30/26/43/444302643.db2.gz HTZAOOCIROCKGM-HXUWFJFHSA-N 2 1 339.487 1.844 20 0 EDADMP C[N@@H+](C[C@H](O)CN1CCN(c2cc[nH+]c3ccccc32)CC1)C1CC1 ZINC000297749698 444328811 /nfs/dbraw/zinc/32/88/11/444328811.db2.gz UEUDKQWKRJXUGU-KRWDZBQOSA-N 2 1 340.471 1.812 20 0 EDADMP Fc1ccc(-c2cnc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000326444026 444375174 /nfs/dbraw/zinc/37/51/74/444375174.db2.gz VJOFRZHEIDVMCH-INIZCTEOSA-N 2 1 330.407 1.960 20 0 EDADMP Fc1ccc(-c2cnc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000326444026 444375177 /nfs/dbraw/zinc/37/51/77/444375177.db2.gz VJOFRZHEIDVMCH-INIZCTEOSA-N 2 1 330.407 1.960 20 0 EDADMP Cc1cc(N2CCC([NH2+][C@@H](C)C[C@H]3COCCN3)CC2)nc(C)[nH+]1 ZINC000580062890 322003199 /nfs/dbraw/zinc/00/31/99/322003199.db2.gz YNDNAOKCSQYUMD-GUYCJALGSA-N 2 1 333.480 1.419 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580079129 322007189 /nfs/dbraw/zinc/00/71/89/322007189.db2.gz JMGQKDRKSHJGDJ-ICSRJNTNSA-N 2 1 342.487 1.896 20 0 EDADMP [NH3+][C@@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)C1CCC1 ZINC000581368871 322169774 /nfs/dbraw/zinc/16/97/74/322169774.db2.gz ODTKSIPCLWGCRG-GOSISDBHSA-N 2 1 345.491 1.710 20 0 EDADMP C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581377753 322170694 /nfs/dbraw/zinc/17/06/94/322170694.db2.gz NPQVROWGTFTJMT-HOTGVXAUSA-N 2 1 349.479 1.243 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC2([NH3+])CCCCCC2)[C@H](C)C1 ZINC000581478366 322181957 /nfs/dbraw/zinc/18/19/57/322181957.db2.gz GWSGYNCQEGWQBU-HUUCEWRRSA-N 2 1 326.485 1.135 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccn(C)n3)CC2)CC1 ZINC000581953084 322238321 /nfs/dbraw/zinc/23/83/21/322238321.db2.gz DVJYMMOURCVRAD-OAHLLOKOSA-N 2 1 347.507 1.794 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)[C@@H]2C1 ZINC000333322052 444657429 /nfs/dbraw/zinc/65/74/29/444657429.db2.gz NDOZBGJOHVLCDN-CZUORRHYSA-N 2 1 330.432 1.727 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342373925 444663468 /nfs/dbraw/zinc/66/34/68/444663468.db2.gz NLVOWVCRZSNJJK-LISAXSMJSA-N 2 1 337.508 1.532 20 0 EDADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342373925 444663473 /nfs/dbraw/zinc/66/34/73/444663473.db2.gz NLVOWVCRZSNJJK-LISAXSMJSA-N 2 1 337.508 1.532 20 0 EDADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342373925 444663477 /nfs/dbraw/zinc/66/34/77/444663477.db2.gz NLVOWVCRZSNJJK-LISAXSMJSA-N 2 1 337.508 1.532 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341112570 444679973 /nfs/dbraw/zinc/67/99/73/444679973.db2.gz MLMUSXQGUCZXMC-OAHLLOKOSA-N 2 1 342.528 1.905 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000342342602 444642636 /nfs/dbraw/zinc/64/26/36/444642636.db2.gz DXAFTPBZVAEXBO-NVXWUHKLSA-N 2 1 340.512 1.469 20 0 EDADMP C[NH+](CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@H]1CCSC1 ZINC000343966981 444699639 /nfs/dbraw/zinc/69/96/39/444699639.db2.gz YYSRNXTZIUBTKF-CVEARBPZSA-N 2 1 325.522 1.614 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000343966981 444699640 /nfs/dbraw/zinc/69/96/40/444699640.db2.gz YYSRNXTZIUBTKF-CVEARBPZSA-N 2 1 325.522 1.614 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000343966981 444699641 /nfs/dbraw/zinc/69/96/41/444699641.db2.gz YYSRNXTZIUBTKF-CVEARBPZSA-N 2 1 325.522 1.614 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000333821318 444700690 /nfs/dbraw/zinc/70/06/90/444700690.db2.gz KXUUUZOOVOUJPT-NQNKBUKLSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000333821318 444700693 /nfs/dbraw/zinc/70/06/93/444700693.db2.gz KXUUUZOOVOUJPT-NQNKBUKLSA-N 2 1 338.496 1.410 20 0 EDADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000333901175 444712894 /nfs/dbraw/zinc/71/28/94/444712894.db2.gz ZVHHIIFTQPUTQN-HOTGVXAUSA-N 2 1 338.496 1.271 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NCc1cccnc1N1CCOCC1 ZINC000338478671 444714166 /nfs/dbraw/zinc/71/41/66/444714166.db2.gz XLXUXOORGCHDOO-UHFFFAOYSA-N 2 1 335.452 1.058 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000333794813 444698211 /nfs/dbraw/zinc/69/82/11/444698211.db2.gz NASDNEPHCHUFAB-QKPAOTATSA-N 2 1 326.485 1.031 20 0 EDADMP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)[C@H]1C ZINC000344054545 444753623 /nfs/dbraw/zinc/75/36/23/444753623.db2.gz JCUREKSRPYDARF-SQNIBIBYSA-N 2 1 340.556 1.743 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000344061880 444758851 /nfs/dbraw/zinc/75/88/51/444758851.db2.gz MYKJQMYUKBJGKU-DLBZAZTESA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000344061880 444758855 /nfs/dbraw/zinc/75/88/55/444758855.db2.gz MYKJQMYUKBJGKU-DLBZAZTESA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000344061880 444758859 /nfs/dbraw/zinc/75/88/59/444758859.db2.gz MYKJQMYUKBJGKU-DLBZAZTESA-N 2 1 339.524 1.827 20 0 EDADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)NCc1cccnc1 ZINC000344136676 444800962 /nfs/dbraw/zinc/80/09/62/444800962.db2.gz UJEIWWQAOJMYCP-UHFFFAOYSA-N 2 1 347.507 1.047 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)NCc1cccnc1 ZINC000344136676 444800967 /nfs/dbraw/zinc/80/09/67/444800967.db2.gz UJEIWWQAOJMYCP-UHFFFAOYSA-N 2 1 347.507 1.047 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C12CCCC2 ZINC000344177401 444822934 /nfs/dbraw/zinc/82/29/34/444822934.db2.gz UCWYAQZWNHISIG-YESZJQIVSA-N 2 1 337.508 1.901 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000341428076 444824798 /nfs/dbraw/zinc/82/47/98/444824798.db2.gz INNNFHNRUPAFCZ-UHFFFAOYSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@@H]1CN(c2cc(N3C[C@H](C)[NH+](C)[C@@H](C)C3)ncn2)C[C@H](C)[N@H+]1C ZINC000338785949 444850831 /nfs/dbraw/zinc/85/08/31/444850831.db2.gz CBSFWBDHVUCTTQ-YHUYYLMFSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000342764156 444855024 /nfs/dbraw/zinc/85/50/24/444855024.db2.gz GEGOUJVKHWBADT-XKQJLSEDSA-N 2 1 344.459 1.463 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000342764156 444855027 /nfs/dbraw/zinc/85/50/27/444855027.db2.gz GEGOUJVKHWBADT-XKQJLSEDSA-N 2 1 344.459 1.463 20 0 EDADMP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000338939268 444945673 /nfs/dbraw/zinc/94/56/73/444945673.db2.gz JMTPZUFXUGFODD-BRWVUGGUSA-N 2 1 339.524 1.968 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCCOC3)CC2)CC1 ZINC000342930197 444948566 /nfs/dbraw/zinc/94/85/66/444948566.db2.gz GHZJPZPPYMFFGD-SFHVURJKSA-N 2 1 337.508 1.679 20 0 EDADMP CCc1oc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1C(=O)OC ZINC000338950216 444951075 /nfs/dbraw/zinc/95/10/75/444951075.db2.gz BITVKWGSMFIPRY-UHFFFAOYSA-N 2 1 337.464 1.744 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000338967733 444960555 /nfs/dbraw/zinc/96/05/55/444960555.db2.gz TXOSYZJSYGKUEV-HDICACEKSA-N 2 1 331.460 1.428 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000338967733 444960559 /nfs/dbraw/zinc/96/05/59/444960559.db2.gz TXOSYZJSYGKUEV-HDICACEKSA-N 2 1 331.460 1.428 20 0 EDADMP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC000337180490 444975975 /nfs/dbraw/zinc/97/59/75/444975975.db2.gz MACOMNRSIWEPRB-OAHLLOKOSA-N 2 1 337.430 1.790 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337080973 444933604 /nfs/dbraw/zinc/93/36/04/444933604.db2.gz WBWQGIUMXMILFU-CGTJXYLNSA-N 2 1 333.476 1.592 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337080973 444933607 /nfs/dbraw/zinc/93/36/07/444933607.db2.gz WBWQGIUMXMILFU-CGTJXYLNSA-N 2 1 333.476 1.592 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000339062746 445015242 /nfs/dbraw/zinc/01/52/42/445015242.db2.gz KTDYHKMHYHCFHI-JZXOWHBKSA-N 2 1 326.481 1.756 20 0 EDADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000339062746 445015247 /nfs/dbraw/zinc/01/52/47/445015247.db2.gz KTDYHKMHYHCFHI-JZXOWHBKSA-N 2 1 326.481 1.756 20 0 EDADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000337289182 445018261 /nfs/dbraw/zinc/01/82/61/445018261.db2.gz LTDZTCVIRYUFEJ-QLFBSQMISA-N 2 1 339.459 1.863 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC000337374683 445053418 /nfs/dbraw/zinc/05/34/18/445053418.db2.gz QRKDHGKGDNVNAE-JKSUJKDBSA-N 2 1 328.501 1.517 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000337374683 445053423 /nfs/dbraw/zinc/05/34/23/445053423.db2.gz QRKDHGKGDNVNAE-JKSUJKDBSA-N 2 1 328.501 1.517 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000337374683 445053428 /nfs/dbraw/zinc/05/34/28/445053428.db2.gz QRKDHGKGDNVNAE-JKSUJKDBSA-N 2 1 328.501 1.517 20 0 EDADMP NC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000344554146 445056346 /nfs/dbraw/zinc/05/63/46/445056346.db2.gz GQMIEPHCBFGWLH-SJLPKXTDSA-N 2 1 346.475 1.002 20 0 EDADMP NC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000344554146 445056351 /nfs/dbraw/zinc/05/63/51/445056351.db2.gz GQMIEPHCBFGWLH-SJLPKXTDSA-N 2 1 346.475 1.002 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)CN2CCOCC2)CC1 ZINC000337464634 445092346 /nfs/dbraw/zinc/09/23/46/445092346.db2.gz LYNPYFYKWKOFRZ-SFHVURJKSA-N 2 1 326.529 1.055 20 0 EDADMP CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+]CC2([NH3+])CCC2)cc1 ZINC000342117216 445182079 /nfs/dbraw/zinc/18/20/79/445182079.db2.gz CUAGBMPHXWDJEL-UHFFFAOYSA-N 2 1 339.461 1.280 20 0 EDADMP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000339638808 445156142 /nfs/dbraw/zinc/15/61/42/445156142.db2.gz JSRFJAMMNALLTB-FGTMMUONSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173133 445207333 /nfs/dbraw/zinc/20/73/33/445207333.db2.gz CIZYYLGAPUVVKA-CAMMJAKZSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173133 445207334 /nfs/dbraw/zinc/20/73/34/445207334.db2.gz CIZYYLGAPUVVKA-CAMMJAKZSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173133 445207335 /nfs/dbraw/zinc/20/73/35/445207335.db2.gz CIZYYLGAPUVVKA-CAMMJAKZSA-N 2 1 349.519 1.819 20 0 EDADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C2)CC1 ZINC000343358566 445208983 /nfs/dbraw/zinc/20/89/83/445208983.db2.gz DHCHANUSTHSOBM-MOPGFXCFSA-N 2 1 348.535 1.347 20 0 EDADMP COCC[NH+]1CCC([NH2+]CCN2CCc3ccccc3C2=O)CC1 ZINC000343435689 445222543 /nfs/dbraw/zinc/22/25/43/445222543.db2.gz AKVHOXMNVCDPFM-UHFFFAOYSA-N 2 1 331.460 1.385 20 0 EDADMP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000348011584 445261494 /nfs/dbraw/zinc/26/14/94/445261494.db2.gz RVDDGZDNEOIOCX-HRCADAONSA-N 2 1 341.521 1.135 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1C[C@H](OC)C[C@@H]1C[NH+]1CCCC1 ZINC000348126556 445282389 /nfs/dbraw/zinc/28/23/89/445282389.db2.gz JYOPTJCVHUPPRV-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348453571 445296435 /nfs/dbraw/zinc/29/64/35/445296435.db2.gz QZYCFZJDQQFNKN-LSDHHAIUSA-N 2 1 338.521 1.890 20 0 EDADMP CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000351853512 445343854 /nfs/dbraw/zinc/34/38/54/445343854.db2.gz OKSUYFFSNVVLRP-IJEWVQPXSA-N 2 1 349.475 1.940 20 0 EDADMP CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000351853512 445343856 /nfs/dbraw/zinc/34/38/56/445343856.db2.gz OKSUYFFSNVVLRP-IJEWVQPXSA-N 2 1 349.475 1.940 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@H]2COC[C@H]2O)CC1 ZINC000348645548 445343928 /nfs/dbraw/zinc/34/39/28/445343928.db2.gz OFAHGRPOGUDLDX-RBUKOAKNSA-N 2 1 333.476 1.410 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000362418765 445372155 /nfs/dbraw/zinc/37/21/55/445372155.db2.gz QAUVAISRCKLCCU-UHFFFAOYSA-N 2 1 333.480 1.212 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000362418765 445372158 /nfs/dbraw/zinc/37/21/58/445372158.db2.gz QAUVAISRCKLCCU-UHFFFAOYSA-N 2 1 333.480 1.212 20 0 EDADMP CC[NH+]1CCN(CCC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000357108525 445433088 /nfs/dbraw/zinc/43/30/88/445433088.db2.gz FWWBTTVDURRIIW-GOSISDBHSA-N 2 1 338.540 1.785 20 0 EDADMP CCN1CC[NH+](CCC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000357108525 445433092 /nfs/dbraw/zinc/43/30/92/445433092.db2.gz FWWBTTVDURRIIW-GOSISDBHSA-N 2 1 338.540 1.785 20 0 EDADMP CCN1CC[NH+](CCC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000357108525 445433094 /nfs/dbraw/zinc/43/30/94/445433094.db2.gz FWWBTTVDURRIIW-GOSISDBHSA-N 2 1 338.540 1.785 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](C)CC2)C1 ZINC000357115504 445436357 /nfs/dbraw/zinc/43/63/57/445436357.db2.gz JRMLGIGWIPEENH-SJORKVTESA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H](C)CC2)C1 ZINC000357115504 445436361 /nfs/dbraw/zinc/43/63/61/445436361.db2.gz JRMLGIGWIPEENH-SJORKVTESA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H](C)CC2)C1 ZINC000357115504 445436364 /nfs/dbraw/zinc/43/63/64/445436364.db2.gz JRMLGIGWIPEENH-SJORKVTESA-N 2 1 325.497 1.581 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000354957800 445436541 /nfs/dbraw/zinc/43/65/41/445436541.db2.gz GYSHBEZTIKKTFK-SJORKVTESA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000354957800 445436543 /nfs/dbraw/zinc/43/65/43/445436543.db2.gz GYSHBEZTIKKTFK-SJORKVTESA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000354957800 445436544 /nfs/dbraw/zinc/43/65/44/445436544.db2.gz GYSHBEZTIKKTFK-SJORKVTESA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000352339970 445521520 /nfs/dbraw/zinc/52/15/20/445521520.db2.gz JZJQWDMUFNDXJK-SJLPKXTDSA-N 2 1 332.492 1.895 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000352339970 445521521 /nfs/dbraw/zinc/52/15/21/445521521.db2.gz JZJQWDMUFNDXJK-SJLPKXTDSA-N 2 1 332.492 1.895 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000362746497 445530632 /nfs/dbraw/zinc/53/06/32/445530632.db2.gz VJWNMQYIBZWYMK-BHIYHBOVSA-N 2 1 329.488 1.865 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000362746497 445530633 /nfs/dbraw/zinc/53/06/33/445530633.db2.gz VJWNMQYIBZWYMK-BHIYHBOVSA-N 2 1 329.488 1.865 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000362746497 445530635 /nfs/dbraw/zinc/53/06/35/445530635.db2.gz VJWNMQYIBZWYMK-BHIYHBOVSA-N 2 1 329.488 1.865 20 0 EDADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000352489313 445533253 /nfs/dbraw/zinc/53/32/53/445533253.db2.gz ZQELPSFKCAFRIP-QZTJIDSGSA-N 2 1 349.450 1.929 20 0 EDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000352489313 445533256 /nfs/dbraw/zinc/53/32/56/445533256.db2.gz ZQELPSFKCAFRIP-QZTJIDSGSA-N 2 1 349.450 1.929 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-n2cncn2)cc1 ZINC000349328680 445565329 /nfs/dbraw/zinc/56/53/29/445565329.db2.gz GQOGWPZLBXWPKI-UHFFFAOYSA-N 2 1 328.464 1.337 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000360121667 445578692 /nfs/dbraw/zinc/57/86/92/445578692.db2.gz AHMYEJYWILRJSK-HZPDHXFCSA-N 2 1 328.501 1.467 20 0 EDADMP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000353466201 445614039 /nfs/dbraw/zinc/61/40/39/445614039.db2.gz GRKCFBOBSOSUGO-KLHDSHLOSA-N 2 1 325.497 1.625 20 0 EDADMP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353501254 445631218 /nfs/dbraw/zinc/63/12/18/445631218.db2.gz YTCCLVSACXOERR-BDXSIMOUSA-N 2 1 336.524 1.392 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000349663329 445639516 /nfs/dbraw/zinc/63/95/16/445639516.db2.gz PPGUGSLOWFMZCU-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000349663329 445639521 /nfs/dbraw/zinc/63/95/21/445639521.db2.gz PPGUGSLOWFMZCU-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353424837 445595750 /nfs/dbraw/zinc/59/57/50/445595750.db2.gz GGXFSWZBSLRDRY-TWMKSMIVSA-N 2 1 325.497 1.626 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000360238869 445649680 /nfs/dbraw/zinc/64/96/80/445649680.db2.gz OYGUFBVRGSHTPA-QGZVFWFLSA-N 2 1 331.460 1.772 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000349787355 445678822 /nfs/dbraw/zinc/67/88/22/445678822.db2.gz UDPVLWQRUFCHFE-HNNXBMFYSA-N 2 1 326.485 1.271 20 0 EDADMP CCc1ccc([C@@H](CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000358691353 445719784 /nfs/dbraw/zinc/71/97/84/445719784.db2.gz YPJHNBITPRZXAR-MJGOQNOKSA-N 2 1 348.491 1.218 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000356240138 445693524 /nfs/dbraw/zinc/69/35/24/445693524.db2.gz ZXMNAPFAGFKFFT-MRXNPFEDSA-N 2 1 333.480 1.727 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000349845585 445697206 /nfs/dbraw/zinc/69/72/06/445697206.db2.gz HQSCLJZWZRZFHZ-SJORKVTESA-N 2 1 340.512 1.205 20 0 EDADMP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccn(C)n3)C2=O)CC1 ZINC000363175785 445707729 /nfs/dbraw/zinc/70/77/29/445707729.db2.gz AYBFWUFGAVOFGD-KRWDZBQOSA-N 2 1 347.507 1.969 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccn(C)n3)C2=O)CC1 ZINC000363175785 445707732 /nfs/dbraw/zinc/70/77/32/445707732.db2.gz AYBFWUFGAVOFGD-KRWDZBQOSA-N 2 1 347.507 1.969 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)[C@@H]2CCC[C@@H]21 ZINC000353596380 445671624 /nfs/dbraw/zinc/67/16/24/445671624.db2.gz QHNRLOSRMKKTGG-VRKREXBASA-N 2 1 331.464 1.007 20 0 EDADMP CSC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC[NH+](C)CC1 ZINC000360695737 445722861 /nfs/dbraw/zinc/72/28/61/445722861.db2.gz PUDLKYHZDABBHS-CABCVRRESA-N 2 1 342.553 1.795 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000349934438 445726076 /nfs/dbraw/zinc/72/60/76/445726076.db2.gz HAJIVDSPCBACHI-IBGZPJMESA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000349934438 445726078 /nfs/dbraw/zinc/72/60/78/445726078.db2.gz HAJIVDSPCBACHI-IBGZPJMESA-N 2 1 345.487 1.876 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000350026286 445752530 /nfs/dbraw/zinc/75/25/30/445752530.db2.gz JQQUYQHRBYRUGB-CALCHBBNSA-N 2 1 340.512 1.613 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000350026286 445752535 /nfs/dbraw/zinc/75/25/35/445752535.db2.gz JQQUYQHRBYRUGB-CALCHBBNSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000358864640 445819070 /nfs/dbraw/zinc/81/90/70/445819070.db2.gz MGFWJXVJCAWRRI-HOTGVXAUSA-N 2 1 336.480 1.510 20 0 EDADMP CCOC(=O)c1coc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000353943385 445821295 /nfs/dbraw/zinc/82/12/95/445821295.db2.gz INAXIRUWZMQXFR-QGZVFWFLSA-N 2 1 337.464 1.818 20 0 EDADMP O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363390963 445784632 /nfs/dbraw/zinc/78/46/32/445784632.db2.gz XXQUBXTYOTZNPN-IAGOWNOFSA-N 2 1 338.496 1.461 20 0 EDADMP CC1(C)CC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC(C)(C)[NH2+]1 ZINC000363390710 445785249 /nfs/dbraw/zinc/78/52/49/445785249.db2.gz VNOMFKFEBSVVEK-CABCVRRESA-N 2 1 338.496 1.458 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C(N)=O)CCCC2)[C@@H](C)C1 ZINC000361494076 445787741 /nfs/dbraw/zinc/78/77/41/445787741.db2.gz WLFNXRBXPUDBRU-HOTGVXAUSA-N 2 1 325.497 1.759 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000356509908 445832216 /nfs/dbraw/zinc/83/22/16/445832216.db2.gz UYVDNMGBEKFOEY-HZPDHXFCSA-N 2 1 340.512 1.070 20 0 EDADMP COCC[C@@H]1COCCN1CC(C)C[N@H+]1CCOC[C@H]1CCOC ZINC000361526550 445803689 /nfs/dbraw/zinc/80/36/89/445803689.db2.gz BEVIKKYUCJUUQJ-QZTJIDSGSA-N 2 1 344.496 1.097 20 0 EDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)C1 ZINC000358941127 445858105 /nfs/dbraw/zinc/85/81/05/445858105.db2.gz XVOYKZSUGYYQTA-HUUCEWRRSA-N 2 1 339.505 1.943 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000361674578 445872708 /nfs/dbraw/zinc/87/27/08/445872708.db2.gz GHWWOXZFWUXVBF-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000361674578 445872713 /nfs/dbraw/zinc/87/27/13/445872713.db2.gz GHWWOXZFWUXVBF-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000372945626 445936389 /nfs/dbraw/zinc/93/63/89/445936389.db2.gz IATAGCWFKONVIX-KBPBESRZSA-N 2 1 333.436 1.358 20 0 EDADMP COC(=O)[C@@H]1CCCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000369113578 445937317 /nfs/dbraw/zinc/93/73/17/445937317.db2.gz TWXGTXJSOCRFAG-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000361720352 445897765 /nfs/dbraw/zinc/89/77/65/445897765.db2.gz YFNIJDGCHJQSAS-MAUKXSAKSA-N 2 1 334.439 1.015 20 0 EDADMP COCC[C@@]1(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC[NH2+]C1 ZINC000361722756 445898360 /nfs/dbraw/zinc/89/83/60/445898360.db2.gz CHOOECNQGYMIAK-FQEVSTJZSA-N 2 1 345.487 1.655 20 0 EDADMP CCC[NH+]1CCC(N2CC[NH+](C[C@@H]3CC4(CC4)C(=O)O3)CC2)CC1 ZINC000372986557 445960516 /nfs/dbraw/zinc/96/05/16/445960516.db2.gz XXOQKQVSJATNPL-KRWDZBQOSA-N 2 1 335.492 1.574 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373059886 445999424 /nfs/dbraw/zinc/99/94/24/445999424.db2.gz VRJOWALTAFUOHS-QRVBRYPASA-N 2 1 343.471 1.488 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373059886 445999430 /nfs/dbraw/zinc/99/94/30/445999430.db2.gz VRJOWALTAFUOHS-QRVBRYPASA-N 2 1 343.471 1.488 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000359214345 446043795 /nfs/dbraw/zinc/04/37/95/446043795.db2.gz AGXPPFSZEVQMJK-RDJZCZTQSA-N 2 1 334.439 1.964 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000583271003 326039617 /nfs/dbraw/zinc/03/96/17/326039617.db2.gz KJKNRHZWZFIMNK-QGZVFWFLSA-N 2 1 337.439 1.286 20 0 EDADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000583385644 326063767 /nfs/dbraw/zinc/06/37/67/326063767.db2.gz OUIFYVSDEDTMPA-HYVNUMGLSA-N 2 1 343.537 1.653 20 0 EDADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000584166720 326212055 /nfs/dbraw/zinc/21/20/55/326212055.db2.gz ONELPXCDTXZEOU-AWEZNQCLSA-N 2 1 327.494 1.976 20 0 EDADMP CCCCCC[C@@H](O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000365225676 446088141 /nfs/dbraw/zinc/08/81/41/446088141.db2.gz CPHBEZOUBKSDDY-SJORKVTESA-N 2 1 325.497 1.732 20 0 EDADMP COC[C@H]1CCCC[NH+](CC(O)C[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000373172452 446072130 /nfs/dbraw/zinc/07/21/30/446072130.db2.gz JBNOZIRSINOGMD-ROUUACIJSA-N 2 1 342.524 1.844 20 0 EDADMP C[C@@H]1C[NH+](CC2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)CC2)C[C@@H](C)O1 ZINC000351474853 446074953 /nfs/dbraw/zinc/07/49/53/446074953.db2.gz HNNTXNOTOYNGOV-MDZRGWNJSA-N 2 1 339.524 1.263 20 0 EDADMP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H](O)CN(C)C3CC3)CC2)C[C@@H](C)O1 ZINC000351474853 446074955 /nfs/dbraw/zinc/07/49/55/446074955.db2.gz HNNTXNOTOYNGOV-MDZRGWNJSA-N 2 1 339.524 1.263 20 0 EDADMP COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000351475215 446077438 /nfs/dbraw/zinc/07/74/38/446077438.db2.gz HYBCUJCGMKCMLM-NZBPQXDJSA-N 2 1 333.432 1.700 20 0 EDADMP COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000351475215 446077446 /nfs/dbraw/zinc/07/74/46/446077446.db2.gz HYBCUJCGMKCMLM-NZBPQXDJSA-N 2 1 333.432 1.700 20 0 EDADMP CSC1(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)CC[NH+](C)CC1 ZINC000359263737 446100088 /nfs/dbraw/zinc/10/00/88/446100088.db2.gz QGXYMIJNAZCPPC-ZDUSSCGKSA-N 2 1 331.551 1.367 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@@H+](CCC[NH3+])Cc2ccccc2)C1=O ZINC000359284151 446120166 /nfs/dbraw/zinc/12/01/66/446120166.db2.gz LDZGWUUEAYZWIR-UHFFFAOYSA-N 2 1 332.448 1.558 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000366279853 446125455 /nfs/dbraw/zinc/12/54/55/446125455.db2.gz FWJBFSSOLALWEZ-IBGZPJMESA-N 2 1 327.472 1.981 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000366283786 446126892 /nfs/dbraw/zinc/12/68/92/446126892.db2.gz PDVPJIWKDPJBDJ-JKSUJKDBSA-N 2 1 338.496 1.269 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1)C1CC1 ZINC000351572290 446169719 /nfs/dbraw/zinc/16/97/19/446169719.db2.gz DISIFDRDILMPNS-MSOLQXFVSA-N 2 1 349.519 1.556 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1)C1CC1 ZINC000351572290 446169723 /nfs/dbraw/zinc/16/97/23/446169723.db2.gz DISIFDRDILMPNS-MSOLQXFVSA-N 2 1 349.519 1.556 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)[NH+]1CCN(C)CC1 ZINC000370015203 446174263 /nfs/dbraw/zinc/17/42/63/446174263.db2.gz BSZOMIKIMUEZCN-SQNIBIBYSA-N 2 1 336.524 1.249 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC[NH+](C)CC1 ZINC000370015203 446174265 /nfs/dbraw/zinc/17/42/65/446174265.db2.gz BSZOMIKIMUEZCN-SQNIBIBYSA-N 2 1 336.524 1.249 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC[NH+](C)CC1 ZINC000370015203 446174269 /nfs/dbraw/zinc/17/42/69/446174269.db2.gz BSZOMIKIMUEZCN-SQNIBIBYSA-N 2 1 336.524 1.249 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H](CO)C2)CC1 ZINC000362062586 446185612 /nfs/dbraw/zinc/18/56/12/446185612.db2.gz FAUFPWIUENUUJQ-AOIWGVFYSA-N 2 1 345.487 1.452 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H](CO)C2)CC1 ZINC000362062586 446185618 /nfs/dbraw/zinc/18/56/18/446185618.db2.gz FAUFPWIUENUUJQ-AOIWGVFYSA-N 2 1 345.487 1.452 20 0 EDADMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000351591466 446188379 /nfs/dbraw/zinc/18/83/79/446188379.db2.gz FGGAAVLCXJVWEV-UXHICEINSA-N 2 1 347.503 1.010 20 0 EDADMP CN(C[C@@H](O)C[NH+](C)C1CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000351591466 446188383 /nfs/dbraw/zinc/18/83/83/446188383.db2.gz FGGAAVLCXJVWEV-UXHICEINSA-N 2 1 347.503 1.010 20 0 EDADMP CN(C[C@@H](O)C[NH+](C)C1CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000351591466 446188389 /nfs/dbraw/zinc/18/83/89/446188389.db2.gz FGGAAVLCXJVWEV-UXHICEINSA-N 2 1 347.503 1.010 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NCC[N@H+]3CC=CCC3)CC2)[nH+]1 ZINC000366310777 446143288 /nfs/dbraw/zinc/14/32/88/446143288.db2.gz NGHSXTABHQNCKL-UHFFFAOYSA-N 2 1 343.475 1.920 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NCC[N@@H+]3CC=CCC3)CC2)[nH+]1 ZINC000366310777 446143296 /nfs/dbraw/zinc/14/32/96/446143296.db2.gz NGHSXTABHQNCKL-UHFFFAOYSA-N 2 1 343.475 1.920 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000366327129 446153629 /nfs/dbraw/zinc/15/36/29/446153629.db2.gz SHZFXEZPMVKILC-MAUKXSAKSA-N 2 1 330.476 1.798 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC[NH+]1CC=CCC1)CCC(F)(F)F ZINC000354448849 446211796 /nfs/dbraw/zinc/21/17/96/446211796.db2.gz SXQDTAYACKTCEM-UHFFFAOYSA-N 2 1 336.402 1.822 20 0 EDADMP CC[NH+](CCNC(=O)NCC[N@H+]1CC=CCC1)CCC(F)(F)F ZINC000354448849 446211802 /nfs/dbraw/zinc/21/18/02/446211802.db2.gz SXQDTAYACKTCEM-UHFFFAOYSA-N 2 1 336.402 1.822 20 0 EDADMP CC[NH+](CCNC(=O)NCC[N@@H+]1CC=CCC1)CCC(F)(F)F ZINC000354448849 446211807 /nfs/dbraw/zinc/21/18/07/446211807.db2.gz SXQDTAYACKTCEM-UHFFFAOYSA-N 2 1 336.402 1.822 20 0 EDADMP COc1ccc([C@@H]2[C@H](CNC(=O)[C@H]3C[NH2+]CCO3)CCC[N@H+]2C)cc1 ZINC000373446231 446221404 /nfs/dbraw/zinc/22/14/04/446221404.db2.gz BZAOKWGAYYNJBB-CGTJXYLNSA-N 2 1 347.459 1.183 20 0 EDADMP CC[NH+](CC)CCNC(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000365482169 446227469 /nfs/dbraw/zinc/22/74/69/446227469.db2.gz QFTBWDGOLAAYKU-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000373501058 446239800 /nfs/dbraw/zinc/23/98/00/446239800.db2.gz MTSFLRQYWNFZQO-IAGOWNOFSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000373501058 446239803 /nfs/dbraw/zinc/23/98/03/446239803.db2.gz MTSFLRQYWNFZQO-IAGOWNOFSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[N@H+](C)C1CC1)C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000373505113 446241769 /nfs/dbraw/zinc/24/17/69/446241769.db2.gz QMIRYKDGNRDQKG-UHFFFAOYSA-N 2 1 333.480 1.278 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000373505113 446241770 /nfs/dbraw/zinc/24/17/70/446241770.db2.gz QMIRYKDGNRDQKG-UHFFFAOYSA-N 2 1 333.480 1.278 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000373505113 446241775 /nfs/dbraw/zinc/24/17/75/446241775.db2.gz QMIRYKDGNRDQKG-UHFFFAOYSA-N 2 1 333.480 1.278 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000373505113 446241777 /nfs/dbraw/zinc/24/17/77/446241777.db2.gz QMIRYKDGNRDQKG-UHFFFAOYSA-N 2 1 333.480 1.278 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCCC[NH+]2CCC[C@@H]2CO)C1 ZINC000365602818 446270270 /nfs/dbraw/zinc/27/02/70/446270270.db2.gz OXPDMJDRBNSQOD-CRAIPNDOSA-N 2 1 343.487 1.552 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000365602818 446270273 /nfs/dbraw/zinc/27/02/73/446270273.db2.gz OXPDMJDRBNSQOD-CRAIPNDOSA-N 2 1 343.487 1.552 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000365602818 446270276 /nfs/dbraw/zinc/27/02/76/446270276.db2.gz OXPDMJDRBNSQOD-CRAIPNDOSA-N 2 1 343.487 1.552 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000373590971 446273782 /nfs/dbraw/zinc/27/37/82/446273782.db2.gz FEXRICJWOARGTN-INIZCTEOSA-N 2 1 331.464 1.380 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]1COCCN1CC1CCC1 ZINC000370438657 446279933 /nfs/dbraw/zinc/27/99/33/446279933.db2.gz OAMPPEAKXBYGBR-KRWDZBQOSA-N 2 1 334.464 1.541 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000365716589 446312750 /nfs/dbraw/zinc/31/27/50/446312750.db2.gz DGRHJFPQJINUFE-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000417338916 446347246 /nfs/dbraw/zinc/34/72/46/446347246.db2.gz KVAARTMCUNUJIV-PMPSAXMXSA-N 2 1 330.476 1.825 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000417365792 446350065 /nfs/dbraw/zinc/35/00/65/446350065.db2.gz MNNQJNDLEWFLRV-HUUCEWRRSA-N 2 1 336.505 1.963 20 0 EDADMP CCCCOCCNC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075268 446351074 /nfs/dbraw/zinc/35/10/74/446351074.db2.gz RPLDHCZQSQRMAH-UHFFFAOYSA-N 2 1 325.497 1.727 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417514279 446359807 /nfs/dbraw/zinc/35/98/07/446359807.db2.gz IZYUZEISZPQQHL-FUHWJXTLSA-N 2 1 348.491 1.686 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516837 446360698 /nfs/dbraw/zinc/36/06/98/446360698.db2.gz OVOSNLJKCULPKO-IAGOWNOFSA-N 2 1 334.464 1.357 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417589102 446365429 /nfs/dbraw/zinc/36/54/29/446365429.db2.gz VGJPVXPYRRDEOP-OAHLLOKOSA-N 2 1 340.512 1.694 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000417674065 446369001 /nfs/dbraw/zinc/36/90/01/446369001.db2.gz XYHWWAXYZMYVHK-BRWVUGGUSA-N 2 1 340.512 1.565 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000417848951 446375028 /nfs/dbraw/zinc/37/50/28/446375028.db2.gz WAIYCJIXQLAIIE-SJLPKXTDSA-N 2 1 348.491 1.575 20 0 EDADMP COC[C@]1(CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000417912892 446383087 /nfs/dbraw/zinc/38/30/87/446383087.db2.gz PETLMJGKOJTGCI-FUHWJXTLSA-N 2 1 340.512 1.422 20 0 EDADMP C[C@H]1C[C@@H](CCNC(=O)N(CC[NH3+])CCO)C[N@H+]1Cc1ccccc1 ZINC000417929593 446388878 /nfs/dbraw/zinc/38/88/78/446388878.db2.gz SVKGIIJOFJTYBC-FUHWJXTLSA-N 2 1 348.491 1.250 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)[C@H]1c1ccccc1 ZINC000417952253 446398660 /nfs/dbraw/zinc/39/86/60/446398660.db2.gz XXTBAHOJYFOGNB-LZLYRXPVSA-N 2 1 334.439 1.775 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)[C@H]1c1ccccc1 ZINC000417952253 446398665 /nfs/dbraw/zinc/39/86/65/446398665.db2.gz XXTBAHOJYFOGNB-LZLYRXPVSA-N 2 1 334.439 1.775 20 0 EDADMP C[C@@H]([NH3+])CCNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418075903 446432948 /nfs/dbraw/zinc/43/29/48/446432948.db2.gz HNFOXDBMYBOJCX-ZBFHGGJFSA-N 2 1 336.505 1.641 20 0 EDADMP C[C@@H]([NH3+])CCNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418075903 446432951 /nfs/dbraw/zinc/43/29/51/446432951.db2.gz HNFOXDBMYBOJCX-ZBFHGGJFSA-N 2 1 336.505 1.641 20 0 EDADMP CC[C@@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000423130224 446435105 /nfs/dbraw/zinc/43/51/05/446435105.db2.gz GFNORDDHXXBFIC-AQNXPRMDSA-N 2 1 331.504 1.916 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N[C@H](CC[NH3+])C(F)F)n1 ZINC000420256776 446435471 /nfs/dbraw/zinc/43/54/71/446435471.db2.gz DBAADHDXBUHICD-BZPMIXESSA-N 2 1 343.422 2.487 20 0 EDADMP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc(N2CCOCC2)c1 ZINC000423140478 446438012 /nfs/dbraw/zinc/43/80/12/446438012.db2.gz YPPCPSFJUBNDAY-AQNXPRMDSA-N 2 1 345.487 1.770 20 0 EDADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000376340996 446439627 /nfs/dbraw/zinc/43/96/27/446439627.db2.gz YMTZPHGYPXHBFZ-UONOGXRCSA-N 2 1 334.468 1.254 20 0 EDADMP Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000366991562 446448534 /nfs/dbraw/zinc/44/85/34/446448534.db2.gz YRBVDBPQBYLUCC-SFHVURJKSA-N 2 1 347.507 1.519 20 0 EDADMP Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000366991562 446448537 /nfs/dbraw/zinc/44/85/37/446448537.db2.gz YRBVDBPQBYLUCC-SFHVURJKSA-N 2 1 347.507 1.519 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NC[C@H]2C[NH2+]CCCO2)cc[nH+]1 ZINC000420282437 446449987 /nfs/dbraw/zinc/44/99/87/446449987.db2.gz WPVZYOWOTTZIJF-VYDXJSESSA-N 2 1 349.479 1.883 20 0 EDADMP C[NH+](C)CC1(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000367005106 446457187 /nfs/dbraw/zinc/45/71/87/446457187.db2.gz PUIPOMIRBKRWDM-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](C)CC1(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000367005106 446457193 /nfs/dbraw/zinc/45/71/93/446457193.db2.gz PUIPOMIRBKRWDM-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP CCCNC(=O)[C@H]1CCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420295210 446458262 /nfs/dbraw/zinc/45/82/62/446458262.db2.gz BWSFDHBEBKZJSF-IRXDYDNUSA-N 2 1 333.476 1.976 20 0 EDADMP CCOCCO[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370841268 446473348 /nfs/dbraw/zinc/47/33/48/446473348.db2.gz LYWQOGFHKQSWMG-NVXWUHKLSA-N 2 1 341.496 1.055 20 0 EDADMP CCOCCO[C@H](C)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370841268 446473355 /nfs/dbraw/zinc/47/33/55/446473355.db2.gz LYWQOGFHKQSWMG-NVXWUHKLSA-N 2 1 341.496 1.055 20 0 EDADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000423295933 446476482 /nfs/dbraw/zinc/47/64/82/446476482.db2.gz XVBOTVRUYNNPQW-HNNXBMFYSA-N 2 1 325.478 1.819 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC[NH2+]C1 ZINC000423301745 446480403 /nfs/dbraw/zinc/48/04/03/446480403.db2.gz GFMSZFHYLZJBDN-RDJZCZTQSA-N 2 1 339.867 1.685 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423309988 446483042 /nfs/dbraw/zinc/48/30/42/446483042.db2.gz QZDPBJZCGYJYNP-CVEARBPZSA-N 2 1 347.507 1.881 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000420320406 446484839 /nfs/dbraw/zinc/48/48/39/446484839.db2.gz QDFOGUZOPJUZIA-VNHYZAJKSA-N 2 1 333.432 1.147 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000420320406 446484848 /nfs/dbraw/zinc/48/48/48/446484848.db2.gz QDFOGUZOPJUZIA-VNHYZAJKSA-N 2 1 333.432 1.147 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC2([NH3+])CCCCC2)C[C@@H]1CC ZINC000418296967 446490634 /nfs/dbraw/zinc/49/06/34/446490634.db2.gz MQJNWQMHWKBUQY-INIZCTEOSA-N 2 1 340.512 1.790 20 0 EDADMP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420326736 446493748 /nfs/dbraw/zinc/49/37/48/446493748.db2.gz KQFAHPXDLSVLLI-AEFFLSMTSA-N 2 1 345.487 1.721 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CC3(C[NH3+])CC3)c2)CCO1 ZINC000423363308 446501596 /nfs/dbraw/zinc/50/15/96/446501596.db2.gz NXGOFARXSBTJFM-HNNXBMFYSA-N 2 1 331.460 1.653 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CC3(C[NH3+])CC3)c2)CCO1 ZINC000423363308 446501601 /nfs/dbraw/zinc/50/16/01/446501601.db2.gz NXGOFARXSBTJFM-HNNXBMFYSA-N 2 1 331.460 1.653 20 0 EDADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420333348 446502856 /nfs/dbraw/zinc/50/28/56/446502856.db2.gz SRFXJPWFIBXTFH-CVEARBPZSA-N 2 1 337.508 1.853 20 0 EDADMP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337383 446508068 /nfs/dbraw/zinc/50/80/68/446508068.db2.gz WVDSOTAZUHITFA-KGLIPLIRSA-N 2 1 335.423 1.840 20 0 EDADMP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337383 446508074 /nfs/dbraw/zinc/50/80/74/446508074.db2.gz WVDSOTAZUHITFA-KGLIPLIRSA-N 2 1 335.423 1.840 20 0 EDADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000420340665 446511174 /nfs/dbraw/zinc/51/11/74/446511174.db2.gz NCWLDGKXUBSEIV-GJZGRUSLSA-N 2 1 347.459 1.964 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418325321 446498424 /nfs/dbraw/zinc/49/84/24/446498424.db2.gz IUONEMZSYDCEGE-ZWKOTPCHSA-N 2 1 345.491 1.687 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCCC[NH2+]Cc3cccnc3)[C@H]2C1 ZINC000418324005 446498518 /nfs/dbraw/zinc/49/85/18/446498518.db2.gz GKWBJVFIYNWTHJ-SJORKVTESA-N 2 1 331.464 1.297 20 0 EDADMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000420388702 446562246 /nfs/dbraw/zinc/56/22/46/446562246.db2.gz MHBWFZQUCSHQQE-UHFFFAOYSA-N 2 1 326.828 1.309 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000420389798 446564681 /nfs/dbraw/zinc/56/46/81/446564681.db2.gz YUYQDLPXVKSVGO-ZFWWWQNUSA-N 2 1 335.448 1.237 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000420389798 446564687 /nfs/dbraw/zinc/56/46/87/446564687.db2.gz YUYQDLPXVKSVGO-ZFWWWQNUSA-N 2 1 335.448 1.237 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418494796 446565770 /nfs/dbraw/zinc/56/57/70/446565770.db2.gz SVGLCKWXXQUUPO-BPQIPLTHSA-N 2 1 330.476 1.745 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1 ZINC000418499213 446566512 /nfs/dbraw/zinc/56/65/12/446566512.db2.gz YAPYORVXNDZBDH-MPGHIAIKSA-N 2 1 346.475 1.568 20 0 EDADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420345747 446519605 /nfs/dbraw/zinc/51/96/05/446519605.db2.gz BGAJOFHMNYUEJQ-LJQANCHMSA-N 2 1 344.503 1.552 20 0 EDADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)ccc2o1 ZINC000420345906 446519810 /nfs/dbraw/zinc/51/98/10/446519810.db2.gz BWLNAYYLFFUKMS-INIZCTEOSA-N 2 1 343.427 1.699 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000423419994 446527121 /nfs/dbraw/zinc/52/71/21/446527121.db2.gz JEROXBCNOXPNCP-UHFFFAOYSA-N 2 1 333.476 1.631 20 0 EDADMP CC(C)(C)OC(=O)NCCOCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000375081854 446566875 /nfs/dbraw/zinc/56/68/75/446566875.db2.gz SUMUHROPVWQQEN-MRXNPFEDSA-N 2 1 341.496 1.945 20 0 EDADMP CC(C)(C)OC(=O)NCCOCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000375081854 446566884 /nfs/dbraw/zinc/56/68/84/446566884.db2.gz SUMUHROPVWQQEN-MRXNPFEDSA-N 2 1 341.496 1.945 20 0 EDADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349704 446527521 /nfs/dbraw/zinc/52/75/21/446527521.db2.gz QDPBTMCLTRNPOG-OCCSQVGLSA-N 2 1 338.402 1.271 20 0 EDADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349704 446527528 /nfs/dbraw/zinc/52/75/28/446527528.db2.gz QDPBTMCLTRNPOG-OCCSQVGLSA-N 2 1 338.402 1.271 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418403933 446532593 /nfs/dbraw/zinc/53/25/93/446532593.db2.gz IUBVGOJXDVVWGN-SCTDSRPQSA-N 2 1 346.475 1.050 20 0 EDADMP O=C(CC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000420358050 446537353 /nfs/dbraw/zinc/53/73/53/446537353.db2.gz IXGMKPZNRMUSFS-INIZCTEOSA-N 2 1 337.851 1.615 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433166177 446540074 /nfs/dbraw/zinc/54/00/74/446540074.db2.gz FGRUNMULLYKADG-QGZVFWFLSA-N 3 1 338.540 1.818 20 0 EDADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433166177 446540079 /nfs/dbraw/zinc/54/00/79/446540079.db2.gz FGRUNMULLYKADG-QGZVFWFLSA-N 2 1 338.540 1.818 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433166177 446540084 /nfs/dbraw/zinc/54/00/84/446540084.db2.gz FGRUNMULLYKADG-QGZVFWFLSA-N 2 1 338.540 1.818 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000420360267 446541161 /nfs/dbraw/zinc/54/11/61/446541161.db2.gz KYIKELTVGAPNGW-HNNXBMFYSA-N 2 1 346.500 1.933 20 0 EDADMP COCC[NH2+]CCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418501532 446568178 /nfs/dbraw/zinc/56/81/78/446568178.db2.gz RNSSRAKLLSAQCX-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP [NH3+][C@@H]1CCC[C@]12CCN(C(=O)[C@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC000376626899 446613378 /nfs/dbraw/zinc/61/33/78/446613378.db2.gz LQMHIPMDRQOEKC-QWFCFKBJSA-N 2 1 343.471 1.617 20 0 EDADMP [NH3+][C@@H]1CCC[C@]12CCN(C(=O)[C@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC000376626899 446613381 /nfs/dbraw/zinc/61/33/81/446613381.db2.gz LQMHIPMDRQOEKC-QWFCFKBJSA-N 2 1 343.471 1.617 20 0 EDADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000420403827 446576240 /nfs/dbraw/zinc/57/62/40/446576240.db2.gz RVAMKFHSPQEOGX-BDXSIMOUSA-N 2 1 335.492 1.620 20 0 EDADMP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000420403827 446576248 /nfs/dbraw/zinc/57/62/48/446576248.db2.gz RVAMKFHSPQEOGX-BDXSIMOUSA-N 2 1 335.492 1.620 20 0 EDADMP CN(C)Cc1ccc(C(=O)NCc2ccnc(-n3ccnc3)c2)cn1 ZINC000375099363 446580683 /nfs/dbraw/zinc/58/06/83/446580683.db2.gz HAALQOIVOVOJQJ-UHFFFAOYSA-N 2 1 336.399 1.654 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@@H]1Cc1ccccc1 ZINC000418532135 446583634 /nfs/dbraw/zinc/58/36/34/446583634.db2.gz BXTMQZCWSREHMZ-ICSRJNTNSA-N 2 1 344.503 1.944 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@@H]1Cc1ccccc1 ZINC000418532135 446583639 /nfs/dbraw/zinc/58/36/39/446583639.db2.gz BXTMQZCWSREHMZ-ICSRJNTNSA-N 2 1 344.503 1.944 20 0 EDADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)NCC(F)(F)C[NH3+])cc1 ZINC000418543697 446588558 /nfs/dbraw/zinc/58/85/58/446588558.db2.gz IDXSHLIHEYMTCQ-ZIAGYGMSSA-N 2 1 342.390 1.034 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418551745 446590583 /nfs/dbraw/zinc/59/05/83/446590583.db2.gz GZNFRRWVWVVELF-WMZOPIPTSA-N 2 1 330.476 1.697 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@H+]1CCOC ZINC000418590078 446604782 /nfs/dbraw/zinc/60/47/82/446604782.db2.gz JHNSKGHLSWLULG-HOTGVXAUSA-N 2 1 326.485 1.256 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2)c1 ZINC000418592621 446606770 /nfs/dbraw/zinc/60/67/70/446606770.db2.gz LLDSVPMVTSYOMU-AEFFLSMTSA-N 2 1 330.476 1.820 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)C1 ZINC000418626944 446620555 /nfs/dbraw/zinc/62/05/55/446620555.db2.gz AHSIUMBOTARQBO-NVXWUHKLSA-N 2 1 326.485 1.128 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](CC(N)=O)c2ccccc2)CC1 ZINC000411666149 446638992 /nfs/dbraw/zinc/63/89/92/446638992.db2.gz LUUFAPKNWSEFRK-QGZVFWFLSA-N 2 1 346.475 1.135 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](CC(N)=O)c2ccccc2)CC1 ZINC000411666149 446638995 /nfs/dbraw/zinc/63/89/95/446638995.db2.gz LUUFAPKNWSEFRK-QGZVFWFLSA-N 2 1 346.475 1.135 20 0 EDADMP C[C@@H](CCCC[NH3+])NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000418697297 446652002 /nfs/dbraw/zinc/65/20/02/446652002.db2.gz NDMIDKJXGYIQIM-JKSUJKDBSA-N 2 1 326.485 1.400 20 0 EDADMP COCC[C@]1(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC[NH2+]C1 ZINC000423720717 446659072 /nfs/dbraw/zinc/65/90/72/446659072.db2.gz AVEWTIQEFZWMIB-SFNKJDCFSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418628077 446621818 /nfs/dbraw/zinc/62/18/18/446621818.db2.gz OMPUIVGKZYQCTB-VQIMIIECSA-N 2 1 330.476 1.902 20 0 EDADMP CCC[C@@H](C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)[NH+](C)C ZINC000371225024 446702478 /nfs/dbraw/zinc/70/24/78/446702478.db2.gz FOCQQDXAQMDJJR-HOTGVXAUSA-N 2 1 333.480 1.909 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000368208905 446711025 /nfs/dbraw/zinc/71/10/25/446711025.db2.gz NXAGGVIJKMKEOS-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000368208905 446711032 /nfs/dbraw/zinc/71/10/32/446711032.db2.gz NXAGGVIJKMKEOS-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1(C)C ZINC000368210798 446712126 /nfs/dbraw/zinc/71/21/26/446712126.db2.gz DOJFQNKULPCQIX-SFHVURJKSA-N 2 1 342.503 1.341 20 0 EDADMP C[NH+]1CCN(CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000368210798 446712131 /nfs/dbraw/zinc/71/21/31/446712131.db2.gz DOJFQNKULPCQIX-SFHVURJKSA-N 2 1 342.503 1.341 20 0 EDADMP C[NH+]1CCN(CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000368210798 446712136 /nfs/dbraw/zinc/71/21/36/446712136.db2.gz DOJFQNKULPCQIX-SFHVURJKSA-N 2 1 342.503 1.341 20 0 EDADMP Cc1cc(NC(=O)C2C[NH2+]C2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000368167722 446682220 /nfs/dbraw/zinc/68/22/20/446682220.db2.gz NADCWPBDUBZDOL-QGZVFWFLSA-N 2 1 339.443 1.796 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H](O)COc1ccccc1 ZINC000371293470 446750334 /nfs/dbraw/zinc/75/03/34/446750334.db2.gz GTJXGTJOCZJZLT-RWQQGDIJSA-N 2 1 334.460 1.610 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H](O)COc1ccccc1 ZINC000371293470 446750336 /nfs/dbraw/zinc/75/03/36/446750336.db2.gz GTJXGTJOCZJZLT-RWQQGDIJSA-N 2 1 334.460 1.610 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2COCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000423904718 446756247 /nfs/dbraw/zinc/75/62/47/446756247.db2.gz OJWYTMJQZILTFN-KBAYOESNSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2COCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000423904718 446756254 /nfs/dbraw/zinc/75/62/54/446756254.db2.gz OJWYTMJQZILTFN-KBAYOESNSA-N 2 1 331.460 1.392 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418858040 446756614 /nfs/dbraw/zinc/75/66/14/446756614.db2.gz IJFUHBAFMLHKCW-DLBZAZTESA-N 2 1 346.475 1.011 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[C@H](C)[NH3+] ZINC000423930675 446781349 /nfs/dbraw/zinc/78/13/49/446781349.db2.gz LGRBZXBVHRCMCR-CWLKWCNXSA-N 2 1 349.523 1.881 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C[NH3+])C(C)C)[C@@H]1c1ccccc1 ZINC000423933361 446783906 /nfs/dbraw/zinc/78/39/06/446783906.db2.gz RTLDWAMFVKVWPN-BZSNNMDCSA-N 2 1 333.476 1.796 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C[NH3+])C(C)C)[C@@H]1c1ccccc1 ZINC000423933361 446783911 /nfs/dbraw/zinc/78/39/11/446783911.db2.gz RTLDWAMFVKVWPN-BZSNNMDCSA-N 2 1 333.476 1.796 20 0 EDADMP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C(=O)OC ZINC000424286534 446867446 /nfs/dbraw/zinc/86/74/46/446867446.db2.gz HEGQDYDSOLNLLF-OFQRWUPVSA-N 2 1 339.480 1.154 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000424424879 446870973 /nfs/dbraw/zinc/87/09/73/446870973.db2.gz IRUAGEXFTWUTBE-CQSZACIVSA-N 2 1 334.464 1.763 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000424453241 446874083 /nfs/dbraw/zinc/87/40/83/446874083.db2.gz JYEXXNAUGMUTLR-HNNXBMFYSA-N 2 1 346.475 1.583 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424457982 446876948 /nfs/dbraw/zinc/87/69/48/446876948.db2.gz SFYKDHXAVNWLAZ-QGZVFWFLSA-N 2 1 346.475 1.773 20 0 EDADMP CCc1nc(CN2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)no1 ZINC000368471880 446883611 /nfs/dbraw/zinc/88/36/11/446883611.db2.gz UPIUZBMSJUEOOF-HNSVSWJLSA-N 2 1 333.480 1.811 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)NCCC[NH+]2CCCCC2)CC1(C)C ZINC000442441220 446895224 /nfs/dbraw/zinc/89/52/24/446895224.db2.gz DXBVDQXLVVZNKN-UHFFFAOYSA-N 2 1 339.528 1.188 20 0 EDADMP NC(=O)CCC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420953964 446925232 /nfs/dbraw/zinc/92/52/32/446925232.db2.gz VJQZEKFPRJTQQO-UHFFFAOYSA-N 2 1 345.487 1.996 20 0 EDADMP O=C1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C2CC2)N1 ZINC000420957936 446927731 /nfs/dbraw/zinc/92/77/31/446927731.db2.gz DEEXTZWMKZWLJJ-AZUAARDMSA-N 2 1 343.471 1.666 20 0 EDADMP C[C@H]1C[NH+](CCOC2CC[NH+](C[C@H]3C[C@@H](O)C3)CC2)C[C@H](C)O1 ZINC000420956676 446927764 /nfs/dbraw/zinc/92/77/64/446927764.db2.gz ZTLKHJGHSLBPQW-LUKYLMHMSA-N 2 1 326.481 1.348 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000442779475 446964842 /nfs/dbraw/zinc/96/48/42/446964842.db2.gz LNUYMEUYDYJPCW-YPMHNXCESA-N 2 1 327.375 1.573 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000442779475 446964846 /nfs/dbraw/zinc/96/48/46/446964846.db2.gz LNUYMEUYDYJPCW-YPMHNXCESA-N 2 1 327.375 1.573 20 0 EDADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000372108822 447006535 /nfs/dbraw/zinc/00/65/35/447006535.db2.gz UFZCQBXKAQHQQT-LSDHHAIUSA-N 2 1 344.459 1.530 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1CCC[NH2+]CC1 ZINC000368704774 447053700 /nfs/dbraw/zinc/05/37/00/447053700.db2.gz URGYKTJAOYFQFZ-ZWKOTPCHSA-N 2 1 331.460 1.536 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1CCC[NH2+]CC1 ZINC000368704774 447053707 /nfs/dbraw/zinc/05/37/07/447053707.db2.gz URGYKTJAOYFQFZ-ZWKOTPCHSA-N 2 1 331.460 1.536 20 0 EDADMP O[C@@H]1C[NH+](Cc2cccc(C[N@@H+]3C[C@@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000368787439 447105894 /nfs/dbraw/zinc/10/58/94/447105894.db2.gz VXQGFBBQEPVBIM-QZTJIDSGSA-N 2 1 328.456 1.600 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425329290 447119358 /nfs/dbraw/zinc/11/93/58/447119358.db2.gz SSADGJRJSNVEHR-IRXDYDNUSA-N 2 1 348.539 1.477 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC)C1)CC(C)C ZINC000421232050 447075777 /nfs/dbraw/zinc/07/57/77/447075777.db2.gz KXBAOEIAIXVKEO-HOTGVXAUSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cc[nH+]c(N(C)C)n2)CC1 ZINC000425240802 447076476 /nfs/dbraw/zinc/07/64/76/447076476.db2.gz PMHTZRXDYLBVJY-AWEZNQCLSA-N 2 1 326.448 2.575 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000413224241 447078253 /nfs/dbraw/zinc/07/82/53/447078253.db2.gz FDJOAKLWLPQKEC-RTBURBONSA-N 2 1 344.503 1.944 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000413224241 447078259 /nfs/dbraw/zinc/07/82/59/447078259.db2.gz FDJOAKLWLPQKEC-RTBURBONSA-N 2 1 344.503 1.944 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000413224241 447078266 /nfs/dbraw/zinc/07/82/66/447078266.db2.gz FDJOAKLWLPQKEC-RTBURBONSA-N 2 1 344.503 1.944 20 0 EDADMP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375906729 447137064 /nfs/dbraw/zinc/13/70/64/447137064.db2.gz PTWWNDCGUCPNMS-QZTJIDSGSA-N 2 1 338.540 1.638 20 0 EDADMP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375906729 447137070 /nfs/dbraw/zinc/13/70/70/447137070.db2.gz PTWWNDCGUCPNMS-QZTJIDSGSA-N 2 1 338.540 1.638 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3CCC[C@@H](C)C3)C2)CC1 ZINC000375907438 447139582 /nfs/dbraw/zinc/13/95/82/447139582.db2.gz SDTXTHXXWVOUAD-MSOLQXFVSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3CCC[C@@H](C)C3)C2)CC1 ZINC000375907438 447139591 /nfs/dbraw/zinc/13/95/91/447139591.db2.gz SDTXTHXXWVOUAD-MSOLQXFVSA-N 2 1 336.524 1.345 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1Cc2ccccc2N(C)C1 ZINC000372569282 447149725 /nfs/dbraw/zinc/14/97/25/447149725.db2.gz BHZIAHYXBFSIQH-RDJZCZTQSA-N 2 1 329.492 1.893 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000377438895 447132567 /nfs/dbraw/zinc/13/25/67/447132567.db2.gz WRBVYZGKXDIGKI-QZTJIDSGSA-N 2 1 346.475 1.743 20 0 EDADMP CSC1(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)CC1 ZINC000377543537 447192537 /nfs/dbraw/zinc/19/25/37/447192537.db2.gz RFOJPHYYGVVFRV-MRXNPFEDSA-N 2 1 327.538 1.609 20 0 EDADMP C[C@H](CCNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)[NH+]1CCCCC1 ZINC000419484636 447214925 /nfs/dbraw/zinc/21/49/25/447214925.db2.gz XFRGJCSZRGYVHU-IXDOHACOSA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C ZINC000419511224 447235013 /nfs/dbraw/zinc/23/50/13/447235013.db2.gz HWBVUKDLGVVKFG-HRCADAONSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419511224 447235016 /nfs/dbraw/zinc/23/50/16/447235016.db2.gz HWBVUKDLGVVKFG-HRCADAONSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419511224 447235018 /nfs/dbraw/zinc/23/50/18/447235018.db2.gz HWBVUKDLGVVKFG-HRCADAONSA-N 2 1 328.501 1.203 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419589045 447284174 /nfs/dbraw/zinc/28/41/74/447284174.db2.gz OTZJAYQGAKUKOK-CVEARBPZSA-N 2 1 338.496 1.001 20 0 EDADMP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1=O ZINC000421886440 447268780 /nfs/dbraw/zinc/26/87/80/447268780.db2.gz RWKRBLYQEBFLKM-OKZBNKHCSA-N 2 1 339.524 1.972 20 0 EDADMP CCn1cnc2c1ncnc2N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377664674 447281017 /nfs/dbraw/zinc/28/10/17/447281017.db2.gz DITWLFGKAMAXIE-OAHLLOKOSA-N 2 1 343.479 1.451 20 0 EDADMP CCn1cnc2c1ncnc2N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377664674 447281023 /nfs/dbraw/zinc/28/10/23/447281023.db2.gz DITWLFGKAMAXIE-OAHLLOKOSA-N 2 1 343.479 1.451 20 0 EDADMP COC[C@@]1(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000379981852 447455030 /nfs/dbraw/zinc/45/50/30/447455030.db2.gz PRVVKRUTGJNSPA-PKOBYXMFSA-N 2 1 331.460 1.345 20 0 EDADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3COCCO3)CC2)CC1 ZINC000450476493 447502409 /nfs/dbraw/zinc/50/24/09/447502409.db2.gz QAXYVGONKIDHIX-LJQANCHMSA-N 2 1 339.524 1.530 20 0 EDADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1COCCO1 ZINC000450476493 447502417 /nfs/dbraw/zinc/50/24/17/447502417.db2.gz QAXYVGONKIDHIX-LJQANCHMSA-N 3 1 339.524 1.530 20 0 EDADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1COCCO1 ZINC000450476493 447502423 /nfs/dbraw/zinc/50/24/23/447502423.db2.gz QAXYVGONKIDHIX-LJQANCHMSA-N 3 1 339.524 1.530 20 0 EDADMP Nc1cc[nH+]cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390909699 447506221 /nfs/dbraw/zinc/50/62/21/447506221.db2.gz WUOKYGWECWTESY-MRXNPFEDSA-N 2 1 340.427 1.515 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000495442127 447506946 /nfs/dbraw/zinc/50/69/46/447506946.db2.gz BHZPAUWDFMUCMW-RKVPGOIHSA-N 2 1 341.496 1.726 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000495442127 447506951 /nfs/dbraw/zinc/50/69/51/447506951.db2.gz BHZPAUWDFMUCMW-RKVPGOIHSA-N 2 1 341.496 1.726 20 0 EDADMP C[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1C[NH2+]C1 ZINC000390985263 447508142 /nfs/dbraw/zinc/50/81/42/447508142.db2.gz XNUMFTPEJIZBKF-YJBOKZPZSA-N 2 1 331.460 1.249 20 0 EDADMP CC1(OCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[NH2+]C1 ZINC000390947832 447508353 /nfs/dbraw/zinc/50/83/53/447508353.db2.gz NQTMXXBFGVDLQE-AYHJJNSGSA-N 2 1 343.471 1.677 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458767957 447474854 /nfs/dbraw/zinc/47/48/54/447474854.db2.gz IWPYAXPTCFRDAI-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458767957 447474857 /nfs/dbraw/zinc/47/48/57/447474857.db2.gz IWPYAXPTCFRDAI-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458767957 447474860 /nfs/dbraw/zinc/47/48/60/447474860.db2.gz IWPYAXPTCFRDAI-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000495081809 447475191 /nfs/dbraw/zinc/47/51/91/447475191.db2.gz VOVKFOMUOALIDO-CQSZACIVSA-N 2 1 339.480 1.251 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000495081809 447475199 /nfs/dbraw/zinc/47/51/99/447475199.db2.gz VOVKFOMUOALIDO-CQSZACIVSA-N 2 1 339.480 1.251 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[NH+](C)C ZINC000459032920 447545935 /nfs/dbraw/zinc/54/59/35/447545935.db2.gz BQXYPBCYQZXGOS-CGTJXYLNSA-N 2 1 348.491 1.119 20 0 EDADMP CCOC(=O)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000397980875 447554790 /nfs/dbraw/zinc/55/47/90/447554790.db2.gz XDALJDQYXRMCPX-RYQLBKOJSA-N 2 1 334.460 1.801 20 0 EDADMP CN(Cc1cccnc1N)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450773234 447570639 /nfs/dbraw/zinc/57/06/39/447570639.db2.gz ARYBUKMPAXKTNW-IBGZPJMESA-N 2 1 326.444 1.733 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@@H](C)O1 ZINC000459163406 447602394 /nfs/dbraw/zinc/60/23/94/447602394.db2.gz LABVKXVQYHFRPU-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000457633653 447603808 /nfs/dbraw/zinc/60/38/08/447603808.db2.gz HBKAEOZBDDDVQI-KRWDZBQOSA-N 2 1 339.528 1.138 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000457729977 447623747 /nfs/dbraw/zinc/62/37/47/447623747.db2.gz JGNMKJWRULBYJL-INIZCTEOSA-N 2 1 333.480 2.318 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000416851823 447696729 /nfs/dbraw/zinc/69/67/29/447696729.db2.gz RPFPWLKEQYOOSE-ZBFHGGJFSA-N 2 1 334.464 1.739 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC(=O)NCc2ccccc2)C[C@H]1C[NH3+] ZINC000422625861 447675866 /nfs/dbraw/zinc/67/58/66/447675866.db2.gz CUHKVSILCQIAMM-IJEWVQPXSA-N 2 1 332.448 1.318 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC(=O)NCc2ccccc2)C[C@H]1C[NH3+] ZINC000422625861 447675871 /nfs/dbraw/zinc/67/58/71/447675871.db2.gz CUHKVSILCQIAMM-IJEWVQPXSA-N 2 1 332.448 1.318 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000416940871 447717372 /nfs/dbraw/zinc/71/73/72/447717372.db2.gz JJFZPXUVPGPDJE-XHSDSOJGSA-N 2 1 340.512 1.563 20 0 EDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000422700833 447720193 /nfs/dbraw/zinc/72/01/93/447720193.db2.gz CKGGSDKGAFZGFU-CHWSQXEVSA-N 2 1 327.494 1.979 20 0 EDADMP C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000422707336 447721926 /nfs/dbraw/zinc/72/19/26/447721926.db2.gz WGZJUNCEWYBKQE-LZWOXQAQSA-N 2 1 339.505 1.976 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000422720266 447727937 /nfs/dbraw/zinc/72/79/37/447727937.db2.gz ZAUIBGUZLJBCKZ-IBGZPJMESA-N 3 1 334.508 1.278 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000458164104 447733131 /nfs/dbraw/zinc/73/31/31/447733131.db2.gz ODSCQFUNYVXVDS-IYBDPMFKSA-N 2 1 340.512 1.347 20 0 EDADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cn1ccnn1 ZINC000459704966 447745052 /nfs/dbraw/zinc/74/50/52/447745052.db2.gz UHIIBYUHJBVXFL-IPQPSQTFSA-N 2 1 341.459 1.424 20 0 EDADMP CN(C)C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000422789032 447750537 /nfs/dbraw/zinc/75/05/37/447750537.db2.gz SWJWYGKQYNCHCX-HSALFYBXSA-N 2 1 343.515 1.832 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000459733023 447754251 /nfs/dbraw/zinc/75/42/51/447754251.db2.gz GEZSJZRRWJJKGX-INIZCTEOSA-N 2 1 336.480 1.885 20 0 EDADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000422815912 447757867 /nfs/dbraw/zinc/75/78/67/447757867.db2.gz YOLZCGDMBKHLIP-APWZRJJASA-N 2 1 340.471 1.966 20 0 EDADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000422815915 447757902 /nfs/dbraw/zinc/75/79/02/447757902.db2.gz YOLZCGDMBKHLIP-VQIMIIECSA-N 2 1 340.471 1.966 20 0 EDADMP CCN1CC[NH+](Cc2ccc(N[C@H](CCC[NH3+])COC)cc2)CC1 ZINC000422923618 447773725 /nfs/dbraw/zinc/77/37/25/447773725.db2.gz SBQWCZCCZALREB-LJQANCHMSA-N 2 1 334.508 1.990 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430554964 447777223 /nfs/dbraw/zinc/77/72/23/447777223.db2.gz HIPSIMCQSXGCGM-HNNXBMFYSA-N 2 1 349.475 1.702 20 0 EDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000430564459 447779768 /nfs/dbraw/zinc/77/97/68/447779768.db2.gz BFFVJUISYAMISQ-MRXNPFEDSA-N 2 1 340.855 1.731 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@]2(CCOC2)C1)c1ccccc1 ZINC000451908026 447780212 /nfs/dbraw/zinc/78/02/12/447780212.db2.gz ISXVZIBSYQEJDK-QUCCMNQESA-N 2 1 345.487 1.908 20 0 EDADMP COC[C@]1(CO)CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000451936018 447790914 /nfs/dbraw/zinc/79/09/14/447790914.db2.gz SJUZUMNZWMDYDU-WOJBJXKFSA-N 2 1 348.487 1.608 20 0 EDADMP COC[C@]1(CO)CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000451936018 447790916 /nfs/dbraw/zinc/79/09/16/447790916.db2.gz SJUZUMNZWMDYDU-WOJBJXKFSA-N 2 1 348.487 1.608 20 0 EDADMP COc1ccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1S(N)(=O)=O ZINC000423018048 447791347 /nfs/dbraw/zinc/79/13/47/447791347.db2.gz PZBWWBREWHLJDE-TZMCWYRMSA-N 2 1 341.477 1.005 20 0 EDADMP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000423031872 447794667 /nfs/dbraw/zinc/79/46/67/447794667.db2.gz LMWIFTYUAPHJOQ-AHRSYUTCSA-N 2 1 347.503 1.500 20 0 EDADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423111736 447807953 /nfs/dbraw/zinc/80/79/53/447807953.db2.gz JDIXLBAMMSLHGK-JQHSSLGASA-N 2 1 331.460 1.787 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000471707485 447811395 /nfs/dbraw/zinc/81/13/95/447811395.db2.gz VNYPTZDGNWHROK-UHFFFAOYSA-N 2 1 330.407 1.974 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000487580475 447834158 /nfs/dbraw/zinc/83/41/58/447834158.db2.gz ZFKIKDHNQGBAKQ-IRXDYDNUSA-N 2 1 340.512 1.395 20 0 EDADMP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@]3(CCOC3)C1)C[NH+]1CCC2CC1 ZINC000496668934 447844894 /nfs/dbraw/zinc/84/48/94/447844894.db2.gz UGWPCGPAYDXPSQ-ROUUACIJSA-N 2 1 335.448 1.363 20 0 EDADMP O=C1O[C@]2(CN1C[N@H+]1CCC[C@]3(CCOC3)C1)C[NH+]1CCC2CC1 ZINC000496668934 447844895 /nfs/dbraw/zinc/84/48/95/447844895.db2.gz UGWPCGPAYDXPSQ-ROUUACIJSA-N 2 1 335.448 1.363 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000479648918 447823897 /nfs/dbraw/zinc/82/38/97/447823897.db2.gz QTWMKBWEBHPWSV-DLBZAZTESA-N 2 1 340.512 1.349 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000479648918 447823898 /nfs/dbraw/zinc/82/38/98/447823898.db2.gz QTWMKBWEBHPWSV-DLBZAZTESA-N 2 1 340.512 1.349 20 0 EDADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC000569682335 447865153 /nfs/dbraw/zinc/86/51/53/447865153.db2.gz VUHHEMNIAOGFNO-MQVJKMGUSA-N 2 1 343.475 1.188 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523366470 447881446 /nfs/dbraw/zinc/88/14/46/447881446.db2.gz CJOAXXCLAANLFL-KRWDZBQOSA-N 2 1 327.432 1.615 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523366470 447881453 /nfs/dbraw/zinc/88/14/53/447881453.db2.gz CJOAXXCLAANLFL-KRWDZBQOSA-N 2 1 327.432 1.615 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496758977 447887820 /nfs/dbraw/zinc/88/78/20/447887820.db2.gz OVVUAIRWNFYSHT-HUUCEWRRSA-N 2 1 329.485 1.678 20 0 EDADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496758977 447887825 /nfs/dbraw/zinc/88/78/25/447887825.db2.gz OVVUAIRWNFYSHT-HUUCEWRRSA-N 2 1 329.485 1.678 20 0 EDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496758977 447887829 /nfs/dbraw/zinc/88/78/29/447887829.db2.gz OVVUAIRWNFYSHT-HUUCEWRRSA-N 2 1 329.485 1.678 20 0 EDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496758977 447887832 /nfs/dbraw/zinc/88/78/32/447887832.db2.gz OVVUAIRWNFYSHT-HUUCEWRRSA-N 2 1 329.485 1.678 20 0 EDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496758977 447887838 /nfs/dbraw/zinc/88/78/38/447887838.db2.gz OVVUAIRWNFYSHT-HUUCEWRRSA-N 2 1 329.485 1.678 20 0 EDADMP CC[NH+]1CCC([N@H+](C)CCOCCNC(=O)OC(C)(C)C)CC1 ZINC000497191122 447942445 /nfs/dbraw/zinc/94/24/45/447942445.db2.gz BIFWFSHKVKNFPU-UHFFFAOYSA-N 2 1 329.485 1.944 20 0 EDADMP CC[NH+]1CCC([N@@H+](C)CCOCCNC(=O)OC(C)(C)C)CC1 ZINC000497191122 447942447 /nfs/dbraw/zinc/94/24/47/447942447.db2.gz BIFWFSHKVKNFPU-UHFFFAOYSA-N 2 1 329.485 1.944 20 0 EDADMP C[N@@H+](CC[C@H]1CCNC1=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000570104532 447947348 /nfs/dbraw/zinc/94/73/48/447947348.db2.gz LBQGMLDESWNCOV-LJQANCHMSA-N 2 1 344.503 1.262 20 0 EDADMP O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000497166650 447914807 /nfs/dbraw/zinc/91/48/07/447914807.db2.gz VDBXIFFNPMTFBM-MSOLQXFVSA-N 2 1 347.459 1.444 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000570381236 447997686 /nfs/dbraw/zinc/99/76/86/447997686.db2.gz KJAMSPUATMIJNI-UHFFFAOYSA-N 2 1 336.411 1.315 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000525603234 448005120 /nfs/dbraw/zinc/00/51/20/448005120.db2.gz ORWIIJBNXIKNQN-SFHVURJKSA-N 2 1 348.491 1.378 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000525603234 448005123 /nfs/dbraw/zinc/00/51/23/448005123.db2.gz ORWIIJBNXIKNQN-SFHVURJKSA-N 2 1 348.491 1.378 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000525603234 448005126 /nfs/dbraw/zinc/00/51/26/448005126.db2.gz ORWIIJBNXIKNQN-SFHVURJKSA-N 2 1 348.491 1.378 20 0 EDADMP C[NH+](C)CC1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000531061754 448011571 /nfs/dbraw/zinc/01/15/71/448011571.db2.gz ZKVSIQFNZBPGLF-HXUWFJFHSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H](CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+]1CCCC1 ZINC000525748529 448019785 /nfs/dbraw/zinc/01/97/85/448019785.db2.gz IQGQTWCVDUWRDO-MJGOQNOKSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[N@H+]1CCCC[C@H]1C ZINC000570634973 448039615 /nfs/dbraw/zinc/03/96/15/448039615.db2.gz QOFXRPKROXWOGD-KFWWJZLASA-N 2 1 334.468 1.023 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000531297370 448056301 /nfs/dbraw/zinc/05/63/01/448056301.db2.gz PRSAHMPWEDYRNK-LPHOPBHVSA-N 2 1 331.460 1.081 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000531297370 448056304 /nfs/dbraw/zinc/05/63/04/448056304.db2.gz PRSAHMPWEDYRNK-LPHOPBHVSA-N 2 1 331.460 1.081 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000531297370 448056307 /nfs/dbraw/zinc/05/63/07/448056307.db2.gz PRSAHMPWEDYRNK-LPHOPBHVSA-N 2 1 331.460 1.081 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000502754598 448105905 /nfs/dbraw/zinc/10/59/05/448105905.db2.gz BYJDWCXPWNHZOU-QZWWFDLISA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000571078035 448107187 /nfs/dbraw/zinc/10/71/87/448107187.db2.gz CGQDARRPMMUSLR-RVKKMQEKSA-N 2 1 331.460 1.522 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000571078035 448107190 /nfs/dbraw/zinc/10/71/90/448107190.db2.gz CGQDARRPMMUSLR-RVKKMQEKSA-N 2 1 331.460 1.522 20 0 EDADMP CC(C)[N@@H+]1CCCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000505265655 448111135 /nfs/dbraw/zinc/11/11/35/448111135.db2.gz LXEOOUIPAKWTPS-UHFFFAOYSA-N 2 1 332.496 1.145 20 0 EDADMP CC(C)[N@H+]1CCCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000505265655 448111138 /nfs/dbraw/zinc/11/11/38/448111138.db2.gz LXEOOUIPAKWTPS-UHFFFAOYSA-N 2 1 332.496 1.145 20 0 EDADMP C[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000576801598 448140996 /nfs/dbraw/zinc/14/09/96/448140996.db2.gz WSRQKHWMIZNKFD-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000556723870 448145434 /nfs/dbraw/zinc/14/54/34/448145434.db2.gz BZRMOXCOSGMWMB-CEXWTWQISA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000556723870 448145438 /nfs/dbraw/zinc/14/54/38/448145438.db2.gz BZRMOXCOSGMWMB-CEXWTWQISA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000556723870 448145445 /nfs/dbraw/zinc/14/54/45/448145445.db2.gz BZRMOXCOSGMWMB-CEXWTWQISA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000556723870 448145449 /nfs/dbraw/zinc/14/54/49/448145449.db2.gz BZRMOXCOSGMWMB-CEXWTWQISA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000556723870 448145455 /nfs/dbraw/zinc/14/54/55/448145455.db2.gz BZRMOXCOSGMWMB-CEXWTWQISA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@H](C)O ZINC000514679952 448186005 /nfs/dbraw/zinc/18/60/05/448186005.db2.gz SOQXLHATQINLQA-WMLDXEAASA-N 2 1 325.497 1.458 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000514783795 448201704 /nfs/dbraw/zinc/20/17/04/448201704.db2.gz BDJRQUWAMZWFAU-GASCZTMLSA-N 2 1 338.496 1.483 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000514783795 448201707 /nfs/dbraw/zinc/20/17/07/448201707.db2.gz BDJRQUWAMZWFAU-GASCZTMLSA-N 2 1 338.496 1.483 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)n1 ZINC000571892465 448228766 /nfs/dbraw/zinc/22/87/66/448228766.db2.gz IQOHPKVOBRZJSI-UHFFFAOYSA-N 2 1 327.432 1.537 20 0 EDADMP [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000571895390 448229938 /nfs/dbraw/zinc/22/99/38/448229938.db2.gz DXJZDBDZEYRWQS-ZWKOTPCHSA-N 2 1 330.476 1.684 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000582421715 448235171 /nfs/dbraw/zinc/23/51/71/448235171.db2.gz NHRBHEVQYFFKEB-UHFFFAOYSA-N 2 1 341.459 1.407 20 0 EDADMP CCn1ccnc1/C=C/C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000492485992 448223629 /nfs/dbraw/zinc/22/36/29/448223629.db2.gz AZBXBIFDPNTYGY-SNAWJCMRSA-N 2 1 340.431 1.702 20 0 EDADMP CC[NH+]1C[C@@H](C)N(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC000582556491 448274391 /nfs/dbraw/zinc/27/43/91/448274391.db2.gz ODWWTMOZFHPSQK-HZPDHXFCSA-N 2 1 345.491 1.388 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000492721142 448266683 /nfs/dbraw/zinc/26/66/83/448266683.db2.gz CAXDOFOLNMSGLV-VKJFTORMSA-N 2 1 341.496 1.869 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000492721142 448266689 /nfs/dbraw/zinc/26/66/89/448266689.db2.gz CAXDOFOLNMSGLV-VKJFTORMSA-N 2 1 341.496 1.869 20 0 EDADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577384567 448283758 /nfs/dbraw/zinc/28/37/58/448283758.db2.gz CFMRRSRYQYBCBB-MOPGFXCFSA-N 2 1 347.503 1.982 20 0 EDADMP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H](O)CN2CCN(C)CC2)c1 ZINC000515347150 448294092 /nfs/dbraw/zinc/29/40/92/448294092.db2.gz SUMXOBPWZDIUIP-HXUWFJFHSA-N 2 1 348.535 1.226 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000515350075 448294935 /nfs/dbraw/zinc/29/49/35/448294935.db2.gz ZETWCAAKYFFYKK-FQEVSTJZSA-N 2 1 344.503 1.062 20 0 EDADMP CC[C@@H](NC(=O)C1(C)C[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000577615433 448342662 /nfs/dbraw/zinc/34/26/62/448342662.db2.gz MXPCLYOZUPMDFG-SJORKVTESA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@@H](NC(=O)C1(C)C[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000577615433 448342665 /nfs/dbraw/zinc/34/26/65/448342665.db2.gz MXPCLYOZUPMDFG-SJORKVTESA-N 2 1 331.460 1.392 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000577720839 448366964 /nfs/dbraw/zinc/36/69/64/448366964.db2.gz SYTIZZIHKRHYCC-AWEZNQCLSA-N 2 1 344.459 1.071 20 0 EDADMP C[N@@H+](CC[C@H]1CCNC1=O)C1CCN(CCc2ccccn2)CC1 ZINC000582763584 448330950 /nfs/dbraw/zinc/33/09/50/448330950.db2.gz JQERFQBORXKGRY-MRXNPFEDSA-N 2 1 330.476 1.547 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nnc(C)n3C)CC2)CC1 ZINC000572495598 448395306 /nfs/dbraw/zinc/39/53/06/448395306.db2.gz VSAXBWRYXJKCIJ-UHFFFAOYSA-N 2 1 334.468 1.258 20 0 EDADMP CC[NH+]1CCC(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000583018100 448404106 /nfs/dbraw/zinc/40/41/06/448404106.db2.gz XRAGUBGBFFRPRK-HNNXBMFYSA-N 2 1 340.512 1.205 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566185700 448408869 /nfs/dbraw/zinc/40/88/69/448408869.db2.gz OFOMXDTUMVCEGZ-LZLYRXPVSA-N 2 1 333.476 1.780 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566185700 448408872 /nfs/dbraw/zinc/40/88/72/448408872.db2.gz OFOMXDTUMVCEGZ-LZLYRXPVSA-N 2 1 333.476 1.780 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC000516751358 448467034 /nfs/dbraw/zinc/46/70/34/448467034.db2.gz NMNVLLDAEQJSBS-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000572855469 448482493 /nfs/dbraw/zinc/48/24/93/448482493.db2.gz ZQJLWOBXDYSYJU-KBPBESRZSA-N 2 1 336.505 1.794 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000572855469 448482500 /nfs/dbraw/zinc/48/25/00/448482500.db2.gz ZQJLWOBXDYSYJU-KBPBESRZSA-N 2 1 336.505 1.794 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591865129 448508716 /nfs/dbraw/zinc/50/87/16/448508716.db2.gz GTKPUOATGQDCEV-CQSZACIVSA-N 2 1 325.403 1.807 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000584406480 448513983 /nfs/dbraw/zinc/51/39/83/448513983.db2.gz KDTZDBMIXWRFLQ-QFBILLFUSA-N 2 1 348.487 1.855 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000516982548 448517754 /nfs/dbraw/zinc/51/77/54/448517754.db2.gz JRMZWOXRQAXEPH-MRXNPFEDSA-N 2 1 331.526 1.320 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000572999019 448519243 /nfs/dbraw/zinc/51/92/43/448519243.db2.gz ANPGMVVZXQLGJW-BVGQSLNGSA-N 2 1 328.460 1.737 20 0 EDADMP C[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000517225416 448556589 /nfs/dbraw/zinc/55/65/89/448556589.db2.gz XMNNDCWZSUYFLZ-CVEARBPZSA-N 2 1 340.512 1.374 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)COCc1cccs1)C[NH+]1CCCCC1 ZINC000566678879 448536911 /nfs/dbraw/zinc/53/69/11/448536911.db2.gz LHBQDWSWZUOISE-CABCVRRESA-N 2 1 328.478 1.062 20 0 EDADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CCN4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000584470478 448539072 /nfs/dbraw/zinc/53/90/72/448539072.db2.gz BZZJUAAOJAAIHH-RTWAWAEBSA-N 2 1 342.531 1.878 20 0 EDADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCN4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000584470478 448539075 /nfs/dbraw/zinc/53/90/75/448539075.db2.gz BZZJUAAOJAAIHH-RTWAWAEBSA-N 3 1 342.531 1.878 20 0 EDADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCN4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000584470478 448539079 /nfs/dbraw/zinc/53/90/79/448539079.db2.gz BZZJUAAOJAAIHH-RTWAWAEBSA-N 3 1 342.531 1.878 20 0 EDADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCN4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000584470478 448539083 /nfs/dbraw/zinc/53/90/83/448539083.db2.gz BZZJUAAOJAAIHH-RTWAWAEBSA-N 3 1 342.531 1.878 20 0 EDADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCN4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000584470478 448539088 /nfs/dbraw/zinc/53/90/88/448539088.db2.gz BZZJUAAOJAAIHH-RTWAWAEBSA-N 3 1 342.531 1.878 20 0 EDADMP c1ccc(C[N@@H+]2CCC[C@H]3CN(CCN4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000584470476 448539274 /nfs/dbraw/zinc/53/92/74/448539274.db2.gz BZZJUAAOJAAIHH-LEWJYISDSA-N 2 1 342.531 1.878 20 0 EDADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCN4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000584470476 448539280 /nfs/dbraw/zinc/53/92/80/448539280.db2.gz BZZJUAAOJAAIHH-LEWJYISDSA-N 3 1 342.531 1.878 20 0 EDADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCN4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000584470476 448539285 /nfs/dbraw/zinc/53/92/85/448539285.db2.gz BZZJUAAOJAAIHH-LEWJYISDSA-N 3 1 342.531 1.878 20 0 EDADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCN4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000584470476 448539289 /nfs/dbraw/zinc/53/92/89/448539289.db2.gz BZZJUAAOJAAIHH-LEWJYISDSA-N 3 1 342.531 1.878 20 0 EDADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCN4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000584470476 448539295 /nfs/dbraw/zinc/53/92/95/448539295.db2.gz BZZJUAAOJAAIHH-LEWJYISDSA-N 3 1 342.531 1.878 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)CC[NH2+]C(C)C)cc2)CC1 ZINC000578647832 448604236 /nfs/dbraw/zinc/60/42/36/448604236.db2.gz KKSREYMVKJAOLL-UHFFFAOYSA-N 2 1 346.475 1.677 20 0 EDADMP CC(C)(CC[NH+]1CCCCCC1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000517646904 448601845 /nfs/dbraw/zinc/60/18/45/448601845.db2.gz JIUFRAMDCLUXDD-QGZVFWFLSA-N 2 1 336.524 1.537 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528702287 448638294 /nfs/dbraw/zinc/63/82/94/448638294.db2.gz APXIAVTXNUQSCK-MRXNPFEDSA-N 2 1 348.447 1.137 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C[C@H](C)[N@@H+]1C ZINC000518242945 448658149 /nfs/dbraw/zinc/65/81/49/448658149.db2.gz YFIKWMHVKPVTDI-JZXOWHBKSA-N 2 1 330.476 1.845 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@H](C)[NH+]1C ZINC000518242945 448658154 /nfs/dbraw/zinc/65/81/54/448658154.db2.gz YFIKWMHVKPVTDI-JZXOWHBKSA-N 2 1 330.476 1.845 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@H](C)[NH+]1C ZINC000518242945 448658160 /nfs/dbraw/zinc/65/81/60/448658160.db2.gz YFIKWMHVKPVTDI-JZXOWHBKSA-N 2 1 330.476 1.845 20 0 EDADMP [NH3+]C[C@@H]1CCCN1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000518499064 448685425 /nfs/dbraw/zinc/68/54/25/448685425.db2.gz GLNICFQZGFCDKB-IRXDYDNUSA-N 2 1 348.516 1.737 20 0 EDADMP [NH3+]C[C@@H]1CCCN1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000518499064 448685429 /nfs/dbraw/zinc/68/54/29/448685429.db2.gz GLNICFQZGFCDKB-IRXDYDNUSA-N 2 1 348.516 1.737 20 0 EDADMP C[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)CN1CC[NH+](C)CC1 ZINC000518765184 448707978 /nfs/dbraw/zinc/70/79/78/448707978.db2.gz OAWLJWBSAXBYCQ-WMZOPIPTSA-N 2 1 346.519 1.712 20 0 EDADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC(=O)Nc1ccccc1 ZINC000518771507 448708986 /nfs/dbraw/zinc/70/89/86/448708986.db2.gz VAMXZUYHEFGKOQ-GOSISDBHSA-N 2 1 330.432 1.800 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000518979999 448728810 /nfs/dbraw/zinc/72/88/10/448728810.db2.gz YVHPFAGTXJMBNS-XHSDSOJGSA-N 2 1 348.491 1.255 20 0 EDADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000567820093 448768354 /nfs/dbraw/zinc/76/83/54/448768354.db2.gz FSUUCUBAXHBRJT-HUUCEWRRSA-N 2 1 334.464 1.444 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C[C@@H](C)O1 ZINC000529282363 448806367 /nfs/dbraw/zinc/80/63/67/448806367.db2.gz FHGUPTITTHAJKI-RBSFLKMASA-N 2 1 338.496 1.458 20 0 EDADMP COC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000568078381 448812116 /nfs/dbraw/zinc/81/21/16/448812116.db2.gz PMPPFYBALOJJTM-RBUKOAKNSA-N 2 1 348.487 1.512 20 0 EDADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)ccc21 ZINC000579560071 448819949 /nfs/dbraw/zinc/81/99/49/448819949.db2.gz GMPLLTOXBRTIKJ-WMZOPIPTSA-N 2 1 332.448 1.424 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C1CC(O)C1 ZINC000546800569 448851866 /nfs/dbraw/zinc/85/18/66/448851866.db2.gz NHNAAGIAUOWICH-MNNVXMFVSA-N 2 1 345.487 1.611 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)N(C)C3CC([NH3+])C3)CC2)oc1C ZINC000579691739 448853976 /nfs/dbraw/zinc/85/39/76/448853976.db2.gz BVNYJJPQVPXSOM-UHFFFAOYSA-N 2 1 349.479 1.635 20 0 EDADMP C[N@H+]1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1(C)C ZINC000568652338 448903898 /nfs/dbraw/zinc/90/38/98/448903898.db2.gz PQWFOUOEQOXLTH-HNNXBMFYSA-N 2 1 325.522 1.757 20 0 EDADMP NC(=O)CC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000520569003 448910115 /nfs/dbraw/zinc/91/01/15/448910115.db2.gz OXSOZEKTKQZUCJ-KRWDZBQOSA-N 2 1 331.460 1.380 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@H+]1CCO ZINC000568879568 448935873 /nfs/dbraw/zinc/93/58/73/448935873.db2.gz CEERIUQREORPNG-SCTDSRPQSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@@H+]1CCO ZINC000568879568 448935879 /nfs/dbraw/zinc/93/58/79/448935879.db2.gz CEERIUQREORPNG-SCTDSRPQSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1CCO ZINC000568879568 448935883 /nfs/dbraw/zinc/93/58/83/448935883.db2.gz CEERIUQREORPNG-SCTDSRPQSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1CCO ZINC000568879568 448935888 /nfs/dbraw/zinc/93/58/88/448935888.db2.gz CEERIUQREORPNG-SCTDSRPQSA-N 2 1 345.487 1.422 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000529669533 448921665 /nfs/dbraw/zinc/92/16/65/448921665.db2.gz XTGYSHXNTZTGCL-HDICACEKSA-N 2 1 330.432 1.389 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000575023491 449015758 /nfs/dbraw/zinc/01/57/58/449015758.db2.gz JSSCKCFRJHPGQR-DZGCQCFKSA-N 2 1 331.464 1.894 20 0 EDADMP CCc1nc(C)c([C@H](C)N(C)C[C@H](O)C[N@@H+](C)CCOC)s1 ZINC000575076006 449031060 /nfs/dbraw/zinc/03/10/60/449031060.db2.gz VYUIUSLWYINXOS-UONOGXRCSA-N 2 1 329.510 1.946 20 0 EDADMP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@H](O)CN(C)CCOC)s1 ZINC000575076006 449031068 /nfs/dbraw/zinc/03/10/68/449031068.db2.gz VYUIUSLWYINXOS-UONOGXRCSA-N 2 1 329.510 1.946 20 0 EDADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](O)CN(C)CCOC)s1 ZINC000575076006 449031074 /nfs/dbraw/zinc/03/10/74/449031074.db2.gz VYUIUSLWYINXOS-UONOGXRCSA-N 2 1 329.510 1.946 20 0 EDADMP C[C@@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[N@H+]1CCCC[C@H]1C ZINC000592956106 449076761 /nfs/dbraw/zinc/07/67/61/449076761.db2.gz DJQVHFYMTRYPPT-ILXRZTDVSA-N 2 1 333.480 1.712 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000522402706 449080399 /nfs/dbraw/zinc/08/03/99/449080399.db2.gz GNIMTAQGIOXFGP-OAHLLOKOSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H]1CCC[N@H+](CC(=O)NC(=O)NCc2cccs2)[C@H]1CC[NH3+] ZINC000593733905 449169862 /nfs/dbraw/zinc/16/98/62/449169862.db2.gz NYOPKISMULZCMC-JSGCOSHPSA-N 2 1 338.477 1.523 20 0 EDADMP C[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2cccs2)[C@H]1CC[NH3+] ZINC000593733905 449169866 /nfs/dbraw/zinc/16/98/66/449169866.db2.gz NYOPKISMULZCMC-JSGCOSHPSA-N 2 1 338.477 1.523 20 0 EDADMP COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595893082 449237409 /nfs/dbraw/zinc/23/74/09/449237409.db2.gz OVUMDEMKDUVJRY-DOTOQJQBSA-N 2 1 332.444 1.819 20 0 EDADMP Nc1ccc(-c2cccc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)n2)cc1 ZINC000602018961 449277785 /nfs/dbraw/zinc/27/77/85/449277785.db2.gz CRVAALYBRCGXPT-IRXDYDNUSA-N 2 1 337.427 1.075 20 0 EDADMP Nc1ccc(-c2cccc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)n2)cc1 ZINC000602018961 449277789 /nfs/dbraw/zinc/27/77/89/449277789.db2.gz CRVAALYBRCGXPT-IRXDYDNUSA-N 2 1 337.427 1.075 20 0 EDADMP C[C@@H](Oc1cccnc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000605124171 449349298 /nfs/dbraw/zinc/34/92/98/449349298.db2.gz KMDNPYFKEMMJPA-CQSZACIVSA-N 2 1 341.415 1.634 20 0 EDADMP O=C([C@@H]1CCc2[nH]cnc2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000611740251 449403146 /nfs/dbraw/zinc/40/31/46/449403146.db2.gz LGOQBIDZENLNPY-OAHLLOKOSA-N 2 1 346.475 1.618 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607342449 449598726 /nfs/dbraw/zinc/59/87/26/449598726.db2.gz FWTHOUJRXBJOQY-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607342449 449598734 /nfs/dbraw/zinc/59/87/34/449598734.db2.gz FWTHOUJRXBJOQY-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000617505409 449652110 /nfs/dbraw/zinc/65/21/10/449652110.db2.gz BMEXBAZRATUOMQ-HNNXBMFYSA-N 2 1 348.491 1.390 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000617505409 449652114 /nfs/dbraw/zinc/65/21/14/449652114.db2.gz BMEXBAZRATUOMQ-HNNXBMFYSA-N 2 1 348.491 1.390 20 0 EDADMP Cc1nc2ccnn2cc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617503532 449646978 /nfs/dbraw/zinc/64/69/78/449646978.db2.gz NNEAZZULQFCXMU-ZDUSSCGKSA-N 2 1 332.452 1.040 20 0 EDADMP Cc1nc2ccnn2cc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617503532 449646985 /nfs/dbraw/zinc/64/69/85/449646985.db2.gz NNEAZZULQFCXMU-ZDUSSCGKSA-N 2 1 332.452 1.040 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602583913 449686687 /nfs/dbraw/zinc/68/66/87/449686687.db2.gz VODPADLNLAUMLX-XIRDDKMYSA-N 2 1 347.459 1.151 20 0 EDADMP COC(=O)CNC(=O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000602749795 449784655 /nfs/dbraw/zinc/78/46/55/449784655.db2.gz JZFUUMSUEHKUJT-UHFFFAOYSA-N 2 1 341.496 1.544 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000594875138 449789891 /nfs/dbraw/zinc/78/98/91/449789891.db2.gz XHYDSVMAAUTUMB-GJZGRUSLSA-N 2 1 341.377 1.882 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000617702357 449750065 /nfs/dbraw/zinc/75/00/65/449750065.db2.gz NRIGPYWJVZUMEN-SFHVURJKSA-N 2 1 331.460 1.354 20 0 EDADMP CC[NH+](CC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000617702357 449750074 /nfs/dbraw/zinc/75/00/74/449750074.db2.gz NRIGPYWJVZUMEN-SFHVURJKSA-N 2 1 331.460 1.354 20 0 EDADMP CC[NH+](CC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000617702357 449750080 /nfs/dbraw/zinc/75/00/80/449750080.db2.gz NRIGPYWJVZUMEN-SFHVURJKSA-N 2 1 331.460 1.354 20 0 EDADMP COC(=O)[C@@]1(C)CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602785838 449808629 /nfs/dbraw/zinc/80/86/29/449808629.db2.gz KVAHLYVJLDDOTO-RBUKOAKNSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@@]1(C)CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602785838 449808631 /nfs/dbraw/zinc/80/86/31/449808631.db2.gz KVAHLYVJLDDOTO-RBUKOAKNSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@@]1(C)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602785838 449808634 /nfs/dbraw/zinc/80/86/34/449808634.db2.gz KVAHLYVJLDDOTO-RBUKOAKNSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@@]1(C)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602785838 449808636 /nfs/dbraw/zinc/80/86/36/449808636.db2.gz KVAHLYVJLDDOTO-RBUKOAKNSA-N 2 1 332.444 1.508 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844338 449851336 /nfs/dbraw/zinc/85/13/36/449851336.db2.gz AWIQOUCKOHWSRF-CQSZACIVSA-N 2 1 333.436 1.216 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844338 449851341 /nfs/dbraw/zinc/85/13/41/449851341.db2.gz AWIQOUCKOHWSRF-CQSZACIVSA-N 2 1 333.436 1.216 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C[C@H]1C ZINC000602845992 449853385 /nfs/dbraw/zinc/85/33/85/449853385.db2.gz OCHSYXUUJUVTDC-SZVBFZGTSA-N 2 1 332.444 1.364 20 0 EDADMP COC(=O)[C@@H]1C[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000602845992 449853391 /nfs/dbraw/zinc/85/33/91/449853391.db2.gz OCHSYXUUJUVTDC-SZVBFZGTSA-N 2 1 332.444 1.364 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000602845992 449853397 /nfs/dbraw/zinc/85/33/97/449853397.db2.gz OCHSYXUUJUVTDC-SZVBFZGTSA-N 2 1 332.444 1.364 20 0 EDADMP COC(=O)[C@@H]1C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000602845992 449853403 /nfs/dbraw/zinc/85/34/03/449853403.db2.gz OCHSYXUUJUVTDC-SZVBFZGTSA-N 2 1 332.444 1.364 20 0 EDADMP COC(=O)[C@@H]1C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000602845992 449853411 /nfs/dbraw/zinc/85/34/11/449853411.db2.gz OCHSYXUUJUVTDC-SZVBFZGTSA-N 2 1 332.444 1.364 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCCN1Cc1ccccn1 ZINC000608763714 449930748 /nfs/dbraw/zinc/93/07/48/449930748.db2.gz RGYRRPBFENXYQK-FGTMMUONSA-N 2 1 328.460 1.789 20 0 EDADMP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C[C@@H]1O ZINC000615081177 449942294 /nfs/dbraw/zinc/94/22/94/449942294.db2.gz YYYXWKOMBUPQFU-QYZOEREBSA-N 2 1 345.487 1.074 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@]2(C)CC[NH2+]C2)cc1F ZINC000612870582 449918646 /nfs/dbraw/zinc/91/86/46/449918646.db2.gz FLIPTRBIMOPKCS-KRWDZBQOSA-N 2 1 331.395 1.871 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)N[C@]3(C)CC[NH2+]C3)CC2)oc1C ZINC000612880614 449923617 /nfs/dbraw/zinc/92/36/17/449923617.db2.gz PXVUGCVLMYFHLZ-GOSISDBHSA-N 2 1 349.479 1.555 20 0 EDADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000612963931 449958821 /nfs/dbraw/zinc/95/88/21/449958821.db2.gz MVDCMELCNZRBMC-GOSISDBHSA-N 2 1 342.487 1.698 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCOCc3ccc(OC)cc3)C2)CC1 ZINC000609396779 450024280 /nfs/dbraw/zinc/02/42/80/450024280.db2.gz HHMMGCMKGIBTSH-LJQANCHMSA-N 2 1 347.503 1.924 20 0 EDADMP COC(=O)CCN1CCC[C@@H]([N@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000595389453 450103298 /nfs/dbraw/zinc/10/32/98/450103298.db2.gz OOENJNPOXGHXPZ-OAHLLOKOSA-N 2 1 336.436 1.068 20 0 EDADMP COC(=O)CCN1CCC[C@@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000595389453 450103300 /nfs/dbraw/zinc/10/33/00/450103300.db2.gz OOENJNPOXGHXPZ-OAHLLOKOSA-N 2 1 336.436 1.068 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOC2CCOCC2)[C@@H](C)C1 ZINC000625333379 450298767 /nfs/dbraw/zinc/29/87/67/450298767.db2.gz XSVSUXOIGYJJSY-FUHWJXTLSA-N 2 1 328.497 1.909 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@H]1CCC[N@@H+]1C1CC1 ZINC000619968832 450387026 /nfs/dbraw/zinc/38/70/26/450387026.db2.gz KPBNKRPFGNQNDA-BRWVUGGUSA-N 2 1 333.476 1.373 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@H]1CCC[N@H+]1C1CC1 ZINC000619968832 450387028 /nfs/dbraw/zinc/38/70/28/450387028.db2.gz KPBNKRPFGNQNDA-BRWVUGGUSA-N 2 1 333.476 1.373 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623360127 450505456 /nfs/dbraw/zinc/50/54/56/450505456.db2.gz WMGMWHZEZLGKCU-OAHLLOKOSA-N 2 1 339.505 1.899 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623360127 450505460 /nfs/dbraw/zinc/50/54/60/450505460.db2.gz WMGMWHZEZLGKCU-OAHLLOKOSA-N 2 1 339.505 1.899 20 0 EDADMP CSC[C@@H](O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000187875306 533716759 /nfs/dbraw/zinc/71/67/59/533716759.db2.gz PSMFWIMPMGPFPD-SFHVURJKSA-N 2 1 337.533 1.460 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000621291491 450661422 /nfs/dbraw/zinc/66/14/22/450661422.db2.gz UFXVJMJFKZULGX-MRXNPFEDSA-N 2 1 339.505 1.426 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000621291491 450661424 /nfs/dbraw/zinc/66/14/24/450661424.db2.gz UFXVJMJFKZULGX-MRXNPFEDSA-N 2 1 339.505 1.426 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000635132899 450678014 /nfs/dbraw/zinc/67/80/14/450678014.db2.gz KIDWRAREIUYJSM-UHFFFAOYSA-N 2 1 327.432 1.746 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000629571479 450742046 /nfs/dbraw/zinc/74/20/46/450742046.db2.gz MTJJLAVEDSNIQG-HNNXBMFYSA-N 2 1 325.840 1.613 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000629571479 450742054 /nfs/dbraw/zinc/74/20/54/450742054.db2.gz MTJJLAVEDSNIQG-HNNXBMFYSA-N 2 1 325.840 1.613 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000629571952 450742514 /nfs/dbraw/zinc/74/25/14/450742514.db2.gz UPTMNCPLWUCUNX-OAHLLOKOSA-N 2 1 325.840 1.613 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000629571952 450742516 /nfs/dbraw/zinc/74/25/16/450742516.db2.gz UPTMNCPLWUCUNX-OAHLLOKOSA-N 2 1 325.840 1.613 20 0 EDADMP C[N@H+](CCOCC[NH3+])CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000629579934 450748009 /nfs/dbraw/zinc/74/80/09/450748009.db2.gz YOEVJMOKDRWITN-LJQANCHMSA-N 2 1 333.476 1.941 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000629579934 450748013 /nfs/dbraw/zinc/74/80/13/450748013.db2.gz YOEVJMOKDRWITN-LJQANCHMSA-N 2 1 333.476 1.941 20 0 EDADMP CCC1([NH+](C)C)CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000633266544 450765201 /nfs/dbraw/zinc/76/52/01/450765201.db2.gz SOBGIYBVHQSCIO-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000635261526 450792342 /nfs/dbraw/zinc/79/23/42/450792342.db2.gz DGARLIFPFJWGRJ-MRXNPFEDSA-N 2 1 325.497 1.581 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@H]21 ZINC000627651210 450867697 /nfs/dbraw/zinc/86/76/97/450867697.db2.gz JFCPWOQVIKHTDX-XSYGEPLQSA-N 2 1 343.471 1.296 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@H]21 ZINC000627651210 450867702 /nfs/dbraw/zinc/86/77/02/450867702.db2.gz JFCPWOQVIKHTDX-XSYGEPLQSA-N 2 1 343.471 1.296 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)[NH+]1CCSCC1 ZINC000627740246 450911084 /nfs/dbraw/zinc/91/10/84/450911084.db2.gz HQUNRPIOKBNZMY-HNNXBMFYSA-N 2 1 341.521 1.137 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@H+]2CCCOCC2)CC1)[NH+]1CCSCC1 ZINC000627740246 450911087 /nfs/dbraw/zinc/91/10/87/450911087.db2.gz HQUNRPIOKBNZMY-HNNXBMFYSA-N 2 1 341.521 1.137 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([NH+]2CCCOCC2)CC1)[C@@H]1CCSC1 ZINC000627741218 450913423 /nfs/dbraw/zinc/91/34/23/450913423.db2.gz XHJKMJWHVZOYKR-MRXNPFEDSA-N 2 1 341.521 1.137 20 0 EDADMP C[NH+](CC(=O)N1CCC([N@@H+]2CCCOCC2)CC1)[C@@H]1CCSC1 ZINC000627741218 450913430 /nfs/dbraw/zinc/91/34/30/450913430.db2.gz XHJKMJWHVZOYKR-MRXNPFEDSA-N 2 1 341.521 1.137 20 0 EDADMP C[NH+](CC(=O)N1CCC([N@H+]2CCCOCC2)CC1)[C@@H]1CCSC1 ZINC000627741218 450913436 /nfs/dbraw/zinc/91/34/36/450913436.db2.gz XHJKMJWHVZOYKR-MRXNPFEDSA-N 2 1 341.521 1.137 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000632012683 450967064 /nfs/dbraw/zinc/96/70/64/450967064.db2.gz WDKYYMWWAIHIBN-CRAIPNDOSA-N 2 1 345.491 1.534 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000626935063 451017914 /nfs/dbraw/zinc/01/79/14/451017914.db2.gz WMWJCQOQVDNENZ-CRAIPNDOSA-N 2 1 330.476 1.875 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000626994925 451061329 /nfs/dbraw/zinc/06/13/29/451061329.db2.gz KCSNFBIUSZQZDE-WBMJQRKESA-N 2 1 346.479 1.502 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000627005918 451070632 /nfs/dbraw/zinc/07/06/32/451070632.db2.gz NXGBGKPZIFUOPR-SJORKVTESA-N 2 1 334.464 1.309 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC000635572557 451072396 /nfs/dbraw/zinc/07/23/96/451072396.db2.gz LTTDSPVBDCUDRQ-CVEARBPZSA-N 2 1 325.497 1.581 20 0 EDADMP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635587651 451085977 /nfs/dbraw/zinc/08/59/77/451085977.db2.gz VUWIQXVHTLTGBE-UHFFFAOYSA-N 2 1 334.464 1.764 20 0 EDADMP CO[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000628051484 451105506 /nfs/dbraw/zinc/10/55/06/451105506.db2.gz HMCYWXBMCCVVGA-WMLDXEAASA-N 2 1 339.455 1.901 20 0 EDADMP CO[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000628051484 451105511 /nfs/dbraw/zinc/10/55/11/451105511.db2.gz HMCYWXBMCCVVGA-WMLDXEAASA-N 2 1 339.455 1.901 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000635638951 451126610 /nfs/dbraw/zinc/12/66/10/451126610.db2.gz CUHKRJIFTVXASD-MRXNPFEDSA-N 2 1 327.513 1.924 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627111553 451128283 /nfs/dbraw/zinc/12/82/83/451128283.db2.gz SJSJGUXEQWPSBZ-WCVJEAGWSA-N 2 1 326.485 1.124 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627111553 451128287 /nfs/dbraw/zinc/12/82/87/451128287.db2.gz SJSJGUXEQWPSBZ-WCVJEAGWSA-N 2 1 326.485 1.124 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000627167676 451161330 /nfs/dbraw/zinc/16/13/30/451161330.db2.gz KOSYYGZHQYKFFH-OVYGPGRDSA-N 2 1 338.496 1.410 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000627176450 451166000 /nfs/dbraw/zinc/16/60/00/451166000.db2.gz UZJTVIRJCINXEU-IAGOWNOFSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1CN(C(=O)NCCOCCC[NH3+])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000627214916 451191193 /nfs/dbraw/zinc/19/11/93/451191193.db2.gz APLABQSUZAYBBX-SJORKVTESA-N 2 1 348.491 1.656 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(CCn3cnc4ccccc43)nn2)CC1 ZINC000630589371 451265798 /nfs/dbraw/zinc/26/57/98/451265798.db2.gz GUPHCBZYEBWOSU-UHFFFAOYSA-N 2 1 339.447 1.294 20 0 EDADMP C[C@H](O)CN1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](C)C1 ZINC000635818713 451267169 /nfs/dbraw/zinc/26/71/69/451267169.db2.gz KXNHTKQJAYZGFY-IRXDYDNUSA-N 2 1 333.476 1.074 20 0 EDADMP COc1ccc(-c2cn(CC[N@H+](C)CCC[NH+](C)C)nn2)cc1F ZINC000630611282 451276131 /nfs/dbraw/zinc/27/61/31/451276131.db2.gz CMKMUMMZZFZTHX-UHFFFAOYSA-N 2 1 335.427 1.976 20 0 EDADMP COc1ccc(-c2cn(CC[N@@H+](C)CCC[NH+](C)C)nn2)cc1F ZINC000630611282 451276133 /nfs/dbraw/zinc/27/61/33/451276133.db2.gz CMKMUMMZZFZTHX-UHFFFAOYSA-N 2 1 335.427 1.976 20 0 EDADMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1CCSC1 ZINC000628544387 451285428 /nfs/dbraw/zinc/28/54/28/451285428.db2.gz JEONIJGBYDPKEI-CVEARBPZSA-N 2 1 325.522 1.947 20 0 EDADMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCSC1 ZINC000628544387 451285433 /nfs/dbraw/zinc/28/54/33/451285433.db2.gz JEONIJGBYDPKEI-CVEARBPZSA-N 2 1 325.522 1.947 20 0 EDADMP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCSC1 ZINC000628544387 451285437 /nfs/dbraw/zinc/28/54/37/451285437.db2.gz JEONIJGBYDPKEI-CVEARBPZSA-N 2 1 325.522 1.947 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](OC)C2CCOCC2)C1 ZINC000638135662 451308432 /nfs/dbraw/zinc/30/84/32/451308432.db2.gz VQGSGLGNVUSCFW-MSOLQXFVSA-N 2 1 328.497 1.861 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000638137378 451310328 /nfs/dbraw/zinc/31/03/28/451310328.db2.gz JOQARTONMOLWGU-FUHWJXTLSA-N 2 1 332.492 1.479 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000638137378 451310333 /nfs/dbraw/zinc/31/03/33/451310333.db2.gz JOQARTONMOLWGU-FUHWJXTLSA-N 2 1 332.492 1.479 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000638137378 451310337 /nfs/dbraw/zinc/31/03/37/451310337.db2.gz JOQARTONMOLWGU-FUHWJXTLSA-N 2 1 332.492 1.479 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000632513674 451358520 /nfs/dbraw/zinc/35/85/20/451358520.db2.gz KRFLKFIMWOAVCS-KRWDZBQOSA-N 2 1 339.505 1.522 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000638270972 451390094 /nfs/dbraw/zinc/39/00/94/451390094.db2.gz KTYZEKHYCIWRBO-INIZCTEOSA-N 2 1 334.464 1.131 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638246229 451379371 /nfs/dbraw/zinc/37/93/71/451379371.db2.gz CDCXBUJQSQULQS-QGZVFWFLSA-N 2 1 330.476 1.048 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638246229 451379376 /nfs/dbraw/zinc/37/93/76/451379376.db2.gz CDCXBUJQSQULQS-QGZVFWFLSA-N 2 1 330.476 1.048 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638252580 451381463 /nfs/dbraw/zinc/38/14/63/451381463.db2.gz UIOUPNXTJATLQC-MRXNPFEDSA-N 3 1 332.492 1.614 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640481699 451340164 /nfs/dbraw/zinc/34/01/64/451340164.db2.gz NNPLCBUMUSEFGC-WRWLIDTKSA-N 2 1 343.471 1.222 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(C)(C)N1CCOCC1 ZINC000638180756 451341843 /nfs/dbraw/zinc/34/18/43/451341843.db2.gz KMZYLWOQPMCCBT-ZACQAIPSSA-N 2 1 325.497 1.281 20 0 EDADMP CC(=O)NCC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634644686 451439070 /nfs/dbraw/zinc/43/90/70/451439070.db2.gz ZKRIAZYHBCUDQN-HXUWFJFHSA-N 2 1 345.487 1.472 20 0 EDADMP CC(=O)NCC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634644686 451439073 /nfs/dbraw/zinc/43/90/73/451439073.db2.gz ZKRIAZYHBCUDQN-HXUWFJFHSA-N 2 1 345.487 1.472 20 0 EDADMP C[N@H+]1CCCC[C@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000628751497 451399008 /nfs/dbraw/zinc/39/90/08/451399008.db2.gz RPOYTVPWMOAOQN-QGZVFWFLSA-N 2 1 337.508 1.870 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000628756930 451401005 /nfs/dbraw/zinc/40/10/05/451401005.db2.gz XSHGJEMMCDMMMP-MHORFTMASA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000628756930 451401007 /nfs/dbraw/zinc/40/10/07/451401007.db2.gz XSHGJEMMCDMMMP-MHORFTMASA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000628756930 451401011 /nfs/dbraw/zinc/40/10/11/451401011.db2.gz XSHGJEMMCDMMMP-MHORFTMASA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000628756930 451401017 /nfs/dbraw/zinc/40/10/17/451401017.db2.gz XSHGJEMMCDMMMP-MHORFTMASA-N 2 1 339.524 1.968 20 0 EDADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCCNC(=O)C2)c2cccs2)CC1 ZINC000638288690 451406696 /nfs/dbraw/zinc/40/66/96/451406696.db2.gz XRNSXVJRWHPILJ-LSDHHAIUSA-N 2 1 336.505 1.295 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640570992 451416374 /nfs/dbraw/zinc/41/63/74/451416374.db2.gz AURNZBMFQZNLIU-CQSZACIVSA-N 2 1 349.479 1.452 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638308371 451423180 /nfs/dbraw/zinc/42/31/80/451423180.db2.gz NDVZBFZUDXYFIK-CAIZAGQASA-N 2 1 345.487 1.780 20 0 EDADMP Cc1nn(C)c(C)c1CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634642046 451433592 /nfs/dbraw/zinc/43/35/92/451433592.db2.gz CYKXMBZJYSFYNE-HXUWFJFHSA-N 2 1 342.487 1.806 20 0 EDADMP Cc1nn(C)c(C)c1CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634642046 451433594 /nfs/dbraw/zinc/43/35/94/451433594.db2.gz CYKXMBZJYSFYNE-HXUWFJFHSA-N 2 1 342.487 1.806 20 0 EDADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)O1 ZINC000634688400 451465579 /nfs/dbraw/zinc/46/55/79/451465579.db2.gz RCJVUINFONMDBP-OAGGEKHMSA-N 2 1 333.480 1.566 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640619019 451465920 /nfs/dbraw/zinc/46/59/20/451465920.db2.gz UOWDHPNRJXMXRF-UHFFFAOYSA-N 2 1 336.484 1.148 20 0 EDADMP CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000638405966 451494777 /nfs/dbraw/zinc/49/47/77/451494777.db2.gz HTDBCVZNMUWMSB-QZTJIDSGSA-N 2 1 333.476 1.633 20 0 EDADMP O[C@@]1(C[NH2+]CCCO[C@@H]2CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634708634 451486833 /nfs/dbraw/zinc/48/68/33/451486833.db2.gz XNHHBAKLHGOZMR-RTBURBONSA-N 2 1 334.460 1.409 20 0 EDADMP O[C@@]1(C[NH2+]CCCO[C@@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708634 451486838 /nfs/dbraw/zinc/48/68/38/451486838.db2.gz XNHHBAKLHGOZMR-RTBURBONSA-N 2 1 334.460 1.409 20 0 EDADMP C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634708317 451487368 /nfs/dbraw/zinc/48/73/68/451487368.db2.gz SLJYPCPGSMNXNP-BHIYHBOVSA-N 2 1 334.460 1.407 20 0 EDADMP C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708317 451487371 /nfs/dbraw/zinc/48/73/71/451487371.db2.gz SLJYPCPGSMNXNP-BHIYHBOVSA-N 2 1 334.460 1.407 20 0 EDADMP O[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000634720177 451499196 /nfs/dbraw/zinc/49/91/96/451499196.db2.gz GJUGCIQRHYSFKZ-LEWJYISDSA-N 2 1 340.467 1.817 20 0 EDADMP O[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000634720177 451499200 /nfs/dbraw/zinc/49/92/00/451499200.db2.gz GJUGCIQRHYSFKZ-LEWJYISDSA-N 2 1 340.467 1.817 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000636108916 451520559 /nfs/dbraw/zinc/52/05/59/451520559.db2.gz XZIVUBUZUGPKOR-UHFFFAOYSA-N 2 1 345.487 1.484 20 0 EDADMP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000634760754 451531894 /nfs/dbraw/zinc/53/18/94/451531894.db2.gz LLDJYACEXCBQAM-DOTOQJQBSA-N 2 1 330.476 1.940 20 0 EDADMP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000634760754 451531899 /nfs/dbraw/zinc/53/18/99/451531899.db2.gz LLDJYACEXCBQAM-DOTOQJQBSA-N 2 1 330.476 1.940 20 0 EDADMP C[C@@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)C[NH+]1CCCC1 ZINC000631043799 451551165 /nfs/dbraw/zinc/55/11/65/451551165.db2.gz ANYQJSSSWPWELN-LBPRGKRZSA-N 2 1 345.896 1.809 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ocnc1C(F)(F)F ZINC000636162292 451555690 /nfs/dbraw/zinc/55/56/90/451555690.db2.gz XNIFYCZVLPHJJO-JTQLQIEISA-N 2 1 336.358 1.695 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ocnc1C(F)(F)F ZINC000636162292 451555694 /nfs/dbraw/zinc/55/56/94/451555694.db2.gz XNIFYCZVLPHJJO-JTQLQIEISA-N 2 1 336.358 1.695 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638570738 451582352 /nfs/dbraw/zinc/58/23/52/451582352.db2.gz GTWLHERPVDDBIA-QZTJIDSGSA-N 2 1 344.503 1.690 20 0 EDADMP C[NH2+]CCOCCNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000638578882 451587168 /nfs/dbraw/zinc/58/71/68/451587168.db2.gz UPSOESRELIJZLY-UHFFFAOYSA-N 2 1 340.493 1.016 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000636883086 451580085 /nfs/dbraw/zinc/58/00/85/451580085.db2.gz NHCRYNYDWNGODR-KRWDZBQOSA-N 2 1 338.496 1.149 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000638653522 451633167 /nfs/dbraw/zinc/63/31/67/451633167.db2.gz LITZYJJDFXJFFI-DOTOQJQBSA-N 2 1 339.528 1.314 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000638653522 451633169 /nfs/dbraw/zinc/63/31/69/451633169.db2.gz LITZYJJDFXJFFI-DOTOQJQBSA-N 2 1 339.528 1.314 20 0 EDADMP C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000631222868 451648465 /nfs/dbraw/zinc/64/84/65/451648465.db2.gz VXYKXOJTPZGUGG-INIZCTEOSA-N 2 1 343.475 1.695 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638766312 451683491 /nfs/dbraw/zinc/68/34/91/451683491.db2.gz QTKYYMQFZRJJRC-DOTOQJQBSA-N 3 1 330.476 1.237 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000638775346 451686432 /nfs/dbraw/zinc/68/64/32/451686432.db2.gz CEUXAKRFACSNNZ-YRBFXIGRSA-N 2 1 331.460 1.776 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cccc4[nH]ccc43)cn2)CC1 ZINC000631309885 451690230 /nfs/dbraw/zinc/69/02/30/451690230.db2.gz WHFFTMGIQQAYHV-UHFFFAOYSA-N 2 1 336.443 2.000 20 0 EDADMP CCCCc1noc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)n1 ZINC000640921435 451691352 /nfs/dbraw/zinc/69/13/52/451691352.db2.gz HECXVQOIYRDKGB-UHFFFAOYSA-N 2 1 333.440 1.018 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000638835519 451705222 /nfs/dbraw/zinc/70/52/22/451705222.db2.gz MECAWRLEZOAYSQ-NXHRZFHOSA-N 2 1 331.460 1.249 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000638834743 451705597 /nfs/dbraw/zinc/70/55/97/451705597.db2.gz IAGJJZSRVOELKA-WBVHZDCISA-N 2 1 331.460 1.249 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851555 451710252 /nfs/dbraw/zinc/71/02/52/451710252.db2.gz OMQDJLKNUFWFSL-KSZLIROESA-N 2 1 331.460 1.664 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N[C@@H]2Cc3cncn3C2)CC[N@H+]1Cc1ccccc1 ZINC000637150642 451741448 /nfs/dbraw/zinc/74/14/48/451741448.db2.gz PVMRDBGSFQLMIW-QGPMSJSTSA-N 2 1 339.443 1.770 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000641070252 451745053 /nfs/dbraw/zinc/74/50/53/451745053.db2.gz BKCOTIOCZHSBEP-GOSISDBHSA-N 2 1 330.476 1.964 20 0 EDADMP CCC1([NH+](C)C)CCN(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638981697 451745408 /nfs/dbraw/zinc/74/54/08/451745408.db2.gz XHWMCEFQUWDKRO-GOSISDBHSA-N 2 1 346.519 1.779 20 0 EDADMP [NH3+]C[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccccc1 ZINC000638987737 451748210 /nfs/dbraw/zinc/74/82/10/451748210.db2.gz XTUDEEYEMRWMQW-INIZCTEOSA-N 2 1 325.416 1.172 20 0 EDADMP COC[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CCCC[NH2+]1 ZINC000639001404 451750284 /nfs/dbraw/zinc/75/02/84/451750284.db2.gz KXLNYZCRVGCVKJ-AZUAARDMSA-N 2 1 345.487 1.844 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3csc(C[NH3+])n3)C2)cc1 ZINC000639004698 451751408 /nfs/dbraw/zinc/75/14/08/451751408.db2.gz JFKUKWKZNWAVKG-AWEZNQCLSA-N 2 1 330.457 1.915 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3csc(C[NH3+])n3)C2)cc1 ZINC000639004698 451751410 /nfs/dbraw/zinc/75/14/10/451751410.db2.gz JFKUKWKZNWAVKG-AWEZNQCLSA-N 2 1 330.457 1.915 20 0 EDADMP c1c([C@H]2CCC[NH2+]C2)nnn1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000641180438 451771382 /nfs/dbraw/zinc/77/13/82/451771382.db2.gz FLCWFWVPRBVNTJ-SFHVURJKSA-N 2 1 341.459 1.626 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000637285069 451780437 /nfs/dbraw/zinc/78/04/37/451780437.db2.gz OABIJPKHHVAGEX-BZUAXINKSA-N 2 1 336.480 1.023 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000637285069 451780439 /nfs/dbraw/zinc/78/04/39/451780439.db2.gz OABIJPKHHVAGEX-BZUAXINKSA-N 2 1 336.480 1.023 20 0 EDADMP CC[C@@H](C)[C@H](C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000639168528 451783508 /nfs/dbraw/zinc/78/35/08/451783508.db2.gz ABKSVVRPQOUJQP-WBVHZDCISA-N 2 1 325.497 1.534 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@H](OC)C1CCOCC1 ZINC000639171023 451784200 /nfs/dbraw/zinc/78/42/00/451784200.db2.gz OJHXZWXKRLIEAD-OALUTQOASA-N 2 1 341.540 1.776 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000639170318 451784695 /nfs/dbraw/zinc/78/46/95/451784695.db2.gz SUTOHLSPNPEJBB-CQSZACIVSA-N 2 1 331.526 1.557 20 0 EDADMP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)CC1=O ZINC000639287600 451808768 /nfs/dbraw/zinc/80/87/68/451808768.db2.gz FYKQCZNHYCYMMY-KRWDZBQOSA-N 2 1 330.476 1.219 20 0 EDADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)CC1=O ZINC000639287600 451808772 /nfs/dbraw/zinc/80/87/72/451808772.db2.gz FYKQCZNHYCYMMY-KRWDZBQOSA-N 2 1 330.476 1.219 20 0 EDADMP COCC[NH+]1CCC(NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644528701 451842983 /nfs/dbraw/zinc/84/29/83/451842983.db2.gz QAONAQXKHUMXCN-LJQANCHMSA-N 2 1 335.492 1.180 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000644607357 451892044 /nfs/dbraw/zinc/89/20/44/451892044.db2.gz ILXROGOTEMYXFS-RTBURBONSA-N 2 1 340.471 1.743 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000644607357 451892051 /nfs/dbraw/zinc/89/20/51/451892051.db2.gz ILXROGOTEMYXFS-RTBURBONSA-N 2 1 340.471 1.743 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000646926127 451942191 /nfs/dbraw/zinc/94/21/91/451942191.db2.gz YVUZDXULCHZMHZ-RCCFBDPRSA-N 2 1 328.460 1.456 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000646926127 451942195 /nfs/dbraw/zinc/94/21/95/451942195.db2.gz YVUZDXULCHZMHZ-RCCFBDPRSA-N 2 1 328.460 1.456 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000646926127 451942198 /nfs/dbraw/zinc/94/21/98/451942198.db2.gz YVUZDXULCHZMHZ-RCCFBDPRSA-N 2 1 328.460 1.456 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000639554690 451943989 /nfs/dbraw/zinc/94/39/89/451943989.db2.gz LUEZQPYKXHKFCZ-KRWDZBQOSA-N 2 1 335.496 1.836 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646940608 451956356 /nfs/dbraw/zinc/95/63/56/451956356.db2.gz JAYOSJFVDOFMIO-AZUAARDMSA-N 2 1 347.503 1.370 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2C[NH2+]CCC2(F)F)C[C@H](C)O1 ZINC000649283892 451958023 /nfs/dbraw/zinc/95/80/23/451958023.db2.gz RJXXCYVEJNNUFD-FRRDWIJNSA-N 2 1 333.423 1.235 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2C[NH2+]CCC2(F)F)C[C@H](C)O1 ZINC000649283892 451958027 /nfs/dbraw/zinc/95/80/27/451958027.db2.gz RJXXCYVEJNNUFD-FRRDWIJNSA-N 2 1 333.423 1.235 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000649287638 451960373 /nfs/dbraw/zinc/96/03/73/451960373.db2.gz XWVLLHDVPFWCAN-AEFFLSMTSA-N 2 1 331.460 1.406 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000649287638 451960378 /nfs/dbraw/zinc/96/03/78/451960378.db2.gz XWVLLHDVPFWCAN-AEFFLSMTSA-N 2 1 331.460 1.406 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@]2(N)CC[NH+](C)C2)C1 ZINC000649288427 451962936 /nfs/dbraw/zinc/96/29/36/451962936.db2.gz PIBCTQPRNNTBTK-OXJNMPFZSA-N 2 1 344.503 1.568 20 0 EDADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@]2(N)CC[N@H+](C)C2)C1 ZINC000649288427 451962941 /nfs/dbraw/zinc/96/29/41/451962941.db2.gz PIBCTQPRNNTBTK-OXJNMPFZSA-N 2 1 344.503 1.568 20 0 EDADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@]2(N)CC[N@@H+](C)C2)C1 ZINC000649288427 451962946 /nfs/dbraw/zinc/96/29/46/451962946.db2.gz PIBCTQPRNNTBTK-OXJNMPFZSA-N 2 1 344.503 1.568 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649305512 451981809 /nfs/dbraw/zinc/98/18/09/451981809.db2.gz UXPHFUJELATORD-QZTJIDSGSA-N 2 1 331.460 1.251 20 0 EDADMP CC(=O)N1CC[C@@]([NH3+])(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000649306726 451983984 /nfs/dbraw/zinc/98/39/84/451983984.db2.gz LJVFYOLFHWECIO-IBGZPJMESA-N 2 1 346.475 1.093 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@]3(C)CCC[NH2+]3)cc2)CC1 ZINC000649308613 451986451 /nfs/dbraw/zinc/98/64/51/451986451.db2.gz QGIILYWDRGNIOW-LJQANCHMSA-N 2 1 344.459 1.545 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649319688 451997863 /nfs/dbraw/zinc/99/78/63/451997863.db2.gz QQRSWVPOZVVHQF-BWTSREIZSA-N 2 1 327.472 1.822 20 0 EDADMP O=c1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)nc2sccn21 ZINC000639683186 452021694 /nfs/dbraw/zinc/02/16/94/452021694.db2.gz RLDUVAZPAUJMED-UHFFFAOYSA-N 2 1 341.440 1.863 20 0 EDADMP O=c1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nc2sccn21 ZINC000639683186 452021697 /nfs/dbraw/zinc/02/16/97/452021697.db2.gz RLDUVAZPAUJMED-UHFFFAOYSA-N 2 1 341.440 1.863 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649346067 452028682 /nfs/dbraw/zinc/02/86/82/452028682.db2.gz YDXXEEZIWAXGRC-JKSUJKDBSA-N 2 1 347.459 1.582 20 0 EDADMP CCCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000647049739 452029557 /nfs/dbraw/zinc/02/95/57/452029557.db2.gz ZUMRUXZMJNSNMK-LSDHHAIUSA-N 2 1 340.512 1.022 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000643080948 452035323 /nfs/dbraw/zinc/03/53/23/452035323.db2.gz OGIDIMRFGQUWNN-OIISXLGYSA-N 2 1 348.495 1.553 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000649352844 452037228 /nfs/dbraw/zinc/03/72/28/452037228.db2.gz PUTKJVAVFBDQSF-MDZRGWNJSA-N 2 1 328.460 1.065 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649353611 452037264 /nfs/dbraw/zinc/03/72/64/452037264.db2.gz SBMWDCUSCCCDQE-QRQLOZEOSA-N 3 1 348.535 1.392 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000643210151 452072919 /nfs/dbraw/zinc/07/29/19/452072919.db2.gz OVKIEPRYKFDBEA-DLBZAZTESA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643210151 452072923 /nfs/dbraw/zinc/07/29/23/452072923.db2.gz OVKIEPRYKFDBEA-DLBZAZTESA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000643210151 452072925 /nfs/dbraw/zinc/07/29/25/452072925.db2.gz OVKIEPRYKFDBEA-DLBZAZTESA-N 2 1 339.528 1.137 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649417909 452080298 /nfs/dbraw/zinc/08/02/98/452080298.db2.gz NVGTZNROTSXQAD-SJORKVTESA-N 3 1 348.535 1.441 20 0 EDADMP [NH3+]Cc1ncc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC000637800015 452088846 /nfs/dbraw/zinc/08/88/46/452088846.db2.gz VSIFZTQYFFMWOP-UHFFFAOYSA-N 2 1 325.416 1.283 20 0 EDADMP C[C@@H]1CN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000637844868 452112871 /nfs/dbraw/zinc/11/28/71/452112871.db2.gz LPTVEBNQCRTHKN-AEFFLSMTSA-N 3 1 344.503 1.566 20 0 EDADMP O=C1CC[C@@H](C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)N1 ZINC000649610372 452165810 /nfs/dbraw/zinc/16/58/10/452165810.db2.gz PPFDAGCKXHIKMV-RBUKOAKNSA-N 2 1 342.487 1.157 20 0 EDADMP O=C1CC[C@@H](C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC000649610372 452165817 /nfs/dbraw/zinc/16/58/17/452165817.db2.gz PPFDAGCKXHIKMV-RBUKOAKNSA-N 2 1 342.487 1.157 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000647413670 452206637 /nfs/dbraw/zinc/20/66/37/452206637.db2.gz IGRAVMMRCHFOOG-QZTJIDSGSA-N 2 1 331.460 1.006 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000647413670 452206640 /nfs/dbraw/zinc/20/66/40/452206640.db2.gz IGRAVMMRCHFOOG-QZTJIDSGSA-N 2 1 331.460 1.006 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000647413670 452206644 /nfs/dbraw/zinc/20/66/44/452206644.db2.gz IGRAVMMRCHFOOG-QZTJIDSGSA-N 2 1 331.460 1.006 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1)N1CC[NH2+]CC1 ZINC000647486402 452230340 /nfs/dbraw/zinc/23/03/40/452230340.db2.gz LNAFHHXKAARTRI-CQSZACIVSA-N 2 1 348.516 1.666 20 0 EDADMP [NH3+][C@@H]1C[C@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)c2ccccc21 ZINC000643469910 452237372 /nfs/dbraw/zinc/23/73/72/452237372.db2.gz HEGQOTHPWVVAOT-MOPGFXCFSA-N 2 1 342.487 1.665 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@@H]1[NH3+] ZINC000641810192 452291222 /nfs/dbraw/zinc/29/12/22/452291222.db2.gz ZNQSPAHOVBWKQB-LSDHHAIUSA-N 2 1 330.432 1.467 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000639987733 452319022 /nfs/dbraw/zinc/31/90/22/452319022.db2.gz OPXPQEOSMDHYNT-KRWDZBQOSA-N 2 1 340.508 1.619 20 0 EDADMP C[C@H](CCO)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000649866791 452327688 /nfs/dbraw/zinc/32/76/88/452327688.db2.gz YXFXHIPHDIBMCZ-MRXNPFEDSA-N 2 1 333.476 1.601 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000665763525 452342590 /nfs/dbraw/zinc/34/25/90/452342590.db2.gz DKEXESIOEGDXGR-DLBZAZTESA-N 2 1 341.544 1.383 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665763525 452342599 /nfs/dbraw/zinc/34/25/99/452342599.db2.gz DKEXESIOEGDXGR-DLBZAZTESA-N 3 1 341.544 1.383 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665763525 452342609 /nfs/dbraw/zinc/34/26/09/452342609.db2.gz DKEXESIOEGDXGR-DLBZAZTESA-N 3 1 341.544 1.383 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C1 ZINC000665763525 452342620 /nfs/dbraw/zinc/34/26/20/452342620.db2.gz DKEXESIOEGDXGR-DLBZAZTESA-N 3 1 341.544 1.383 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C1 ZINC000665763525 452342629 /nfs/dbraw/zinc/34/26/29/452342629.db2.gz DKEXESIOEGDXGR-DLBZAZTESA-N 3 1 341.544 1.383 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652151091 452345168 /nfs/dbraw/zinc/34/51/68/452345168.db2.gz IQAZLRIJLJBQJR-GVDBMIGSSA-N 2 1 340.512 1.646 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000659485406 452346481 /nfs/dbraw/zinc/34/64/81/452346481.db2.gz PYCKQQXYJMNMNT-GOEBONIOSA-N 2 1 336.505 1.511 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000659485406 452346490 /nfs/dbraw/zinc/34/64/90/452346490.db2.gz PYCKQQXYJMNMNT-GOEBONIOSA-N 2 1 336.505 1.511 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC000659490047 452350857 /nfs/dbraw/zinc/35/08/57/452350857.db2.gz NEVIYRFGDCWSGT-GVDBMIGSSA-N 2 1 334.439 1.589 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000638065141 452366018 /nfs/dbraw/zinc/36/60/18/452366018.db2.gz RDCNBDXIRVPFBX-PXNSSMCTSA-N 2 1 345.487 1.707 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638066006 452368017 /nfs/dbraw/zinc/36/80/17/452368017.db2.gz DDAOFHVDFYGMPR-SFHVURJKSA-N 2 1 325.497 1.712 20 0 EDADMP CC1CC[NH+](CCNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638070598 452376927 /nfs/dbraw/zinc/37/69/27/452376927.db2.gz SDKDQLAWNOEXSC-SFHVURJKSA-N 2 1 332.492 1.294 20 0 EDADMP C[NH2+]CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659513695 452377329 /nfs/dbraw/zinc/37/73/29/452377329.db2.gz YHEHYISXERQCLJ-KRWDZBQOSA-N 2 1 330.476 1.807 20 0 EDADMP C[C@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000645422603 452392942 /nfs/dbraw/zinc/39/29/42/452392942.db2.gz OWNRVYCPNUWLRK-HNNXBMFYSA-N 2 1 336.480 1.143 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000638080878 452398414 /nfs/dbraw/zinc/39/84/14/452398414.db2.gz SJGHOJPOVOKHHT-CMKODMSKSA-N 2 1 345.487 1.924 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[NH2+]1 ZINC000659544887 452402991 /nfs/dbraw/zinc/40/29/91/452402991.db2.gz YINBMLACWFGKKK-ZJIFWQFVSA-N 2 1 336.480 1.070 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659577355 452432093 /nfs/dbraw/zinc/43/20/93/452432093.db2.gz QTHJKIDOYCCWLR-NUJGCVRESA-N 2 1 334.439 1.475 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000645472212 452443341 /nfs/dbraw/zinc/44/33/41/452443341.db2.gz JVAUWXJPACHUKP-SFHVURJKSA-N 2 1 331.460 1.408 20 0 EDADMP C[C@H](C(=O)NCCCCN1CC[NH+](C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000645478884 452449605 /nfs/dbraw/zinc/44/96/05/452449605.db2.gz SYIAORZIIXBEDQ-FUHWJXTLSA-N 2 1 332.492 1.466 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000659603108 452459562 /nfs/dbraw/zinc/45/95/62/452459562.db2.gz SRIQGKJXBHZQMK-RHSMWYFYSA-N 2 1 326.460 1.736 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000659603108 452459568 /nfs/dbraw/zinc/45/95/68/452459568.db2.gz SRIQGKJXBHZQMK-RHSMWYFYSA-N 2 1 326.460 1.736 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000652288381 452472354 /nfs/dbraw/zinc/47/23/54/452472354.db2.gz GMSBSAAORQMRAF-UHFFFAOYSA-N 2 1 347.507 1.185 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC(=O)N(CC)C2)[C@@H](C)C1 ZINC000652297713 452480143 /nfs/dbraw/zinc/48/01/43/452480143.db2.gz XQMNBEWCYFADIL-BBWFWOEESA-N 2 1 325.497 1.581 20 0 EDADMP CCN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000663765424 452494998 /nfs/dbraw/zinc/49/49/98/452494998.db2.gz XPRZCTVUFNQXMI-QZTJIDSGSA-N 2 1 332.492 1.895 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCCC2CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652325843 452499442 /nfs/dbraw/zinc/49/94/42/452499442.db2.gz ZKCTYLTWGDXPDP-IBGZPJMESA-N 2 1 344.503 1.944 20 0 EDADMP C[N@H+]1CCN(C(=O)NCCC2CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652325843 452499449 /nfs/dbraw/zinc/49/94/49/452499449.db2.gz ZKCTYLTWGDXPDP-IBGZPJMESA-N 2 1 344.503 1.944 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000659646385 452507771 /nfs/dbraw/zinc/50/77/71/452507771.db2.gz HGAWJPJMTCDZEM-MRXNPFEDSA-N 2 1 333.480 1.058 20 0 EDADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655707500 452525461 /nfs/dbraw/zinc/52/54/61/452525461.db2.gz WGHWMOCYFLDGGZ-RTBURBONSA-N 2 1 348.487 1.886 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652350339 452525770 /nfs/dbraw/zinc/52/57/70/452525770.db2.gz SXEQXQOIMNSCMS-DMUMMCEESA-N 3 1 347.503 1.956 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652350339 452525777 /nfs/dbraw/zinc/52/57/77/452525777.db2.gz SXEQXQOIMNSCMS-DMUMMCEESA-N 2 1 347.503 1.956 20 0 EDADMP COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652350339 452525787 /nfs/dbraw/zinc/52/57/87/452525787.db2.gz SXEQXQOIMNSCMS-DMUMMCEESA-N 2 1 347.503 1.956 20 0 EDADMP COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652350339 452525794 /nfs/dbraw/zinc/52/57/94/452525794.db2.gz SXEQXQOIMNSCMS-DMUMMCEESA-N 2 1 347.503 1.956 20 0 EDADMP C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)[C@H]1CC[NH3+] ZINC000652353529 452529749 /nfs/dbraw/zinc/52/97/49/452529749.db2.gz OOFIYMQGMHTRCR-HIFRSBDPSA-N 2 1 333.432 1.481 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)[C@H]1CC[NH3+] ZINC000652353529 452529758 /nfs/dbraw/zinc/52/97/58/452529758.db2.gz OOFIYMQGMHTRCR-HIFRSBDPSA-N 2 1 333.432 1.481 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654469868 452536331 /nfs/dbraw/zinc/53/63/31/452536331.db2.gz MIYHTKVSSHQSRB-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654469868 452536338 /nfs/dbraw/zinc/53/63/38/452536338.db2.gz MIYHTKVSSHQSRB-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654469868 452536346 /nfs/dbraw/zinc/53/63/46/452536346.db2.gz MIYHTKVSSHQSRB-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654469868 452536355 /nfs/dbraw/zinc/53/63/55/452536355.db2.gz MIYHTKVSSHQSRB-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP C([C@@H]1CCOC1)[NH+]1CCC([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655725943 452538515 /nfs/dbraw/zinc/53/85/15/452538515.db2.gz NZRYTVBKGLOFNE-LPHOPBHVSA-N 2 1 337.508 1.330 20 0 EDADMP C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COCC1CCOCC1 ZINC000655726837 452539073 /nfs/dbraw/zinc/53/90/73/452539073.db2.gz QLTQRCLHXNUQOQ-GOSISDBHSA-N 2 1 326.481 1.663 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(=O)n3ccsc3n2)C1 ZINC000652360556 452542416 /nfs/dbraw/zinc/54/24/16/452542416.db2.gz LHJQZMWUDUPZQR-BPLDGKMQSA-N 2 1 348.472 1.617 20 0 EDADMP Cc1cccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652362357 452544259 /nfs/dbraw/zinc/54/42/59/452544259.db2.gz FKXWGMPILRHQCW-GUDVDZBRSA-N 2 1 345.487 1.972 20 0 EDADMP CN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1nccs1 ZINC000652362677 452544816 /nfs/dbraw/zinc/54/48/16/452544816.db2.gz MRHBRXZBGNMUHC-MCIONIFRSA-N 2 1 338.477 1.467 20 0 EDADMP CN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1nccs1 ZINC000652362677 452544820 /nfs/dbraw/zinc/54/48/20/452544820.db2.gz MRHBRXZBGNMUHC-MCIONIFRSA-N 2 1 338.477 1.467 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659689621 452567535 /nfs/dbraw/zinc/56/75/35/452567535.db2.gz GKUAEWISXRXBPN-UHFFFAOYSA-N 2 1 348.491 1.339 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000647835095 452569480 /nfs/dbraw/zinc/56/94/80/452569480.db2.gz MSLLGZCZQURMHE-LJQANCHMSA-N 2 1 344.503 1.577 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000647835095 452569487 /nfs/dbraw/zinc/56/94/87/452569487.db2.gz MSLLGZCZQURMHE-LJQANCHMSA-N 2 1 344.503 1.577 20 0 EDADMP C[C@@H](Cc1ccccn1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000655844234 452606916 /nfs/dbraw/zinc/60/69/16/452606916.db2.gz QCUIXERZCHGXKJ-HNNXBMFYSA-N 2 1 326.448 1.344 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659721661 452612784 /nfs/dbraw/zinc/61/27/84/452612784.db2.gz BRQOSUJWRIYQOT-AWEZNQCLSA-N 2 1 338.496 1.143 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCN(CCO)CC1 ZINC000666190316 452670852 /nfs/dbraw/zinc/67/08/52/452670852.db2.gz HSTOEUZCSHDSBS-LJQANCHMSA-N 2 1 345.487 1.078 20 0 EDADMP O=C([C@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCN(CCO)CC1 ZINC000666190313 452670942 /nfs/dbraw/zinc/67/09/42/452670942.db2.gz HSTOEUZCSHDSBS-IBGZPJMESA-N 2 1 345.487 1.078 20 0 EDADMP COC[C@@H](CC1CCOCC1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000658001884 452674765 /nfs/dbraw/zinc/67/47/65/452674765.db2.gz HIPFXKMIMKPABS-QGZVFWFLSA-N 2 1 327.513 1.434 20 0 EDADMP [NH3+]C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C(F)(F)F ZINC000655926843 452693565 /nfs/dbraw/zinc/69/35/65/452693565.db2.gz GTRIFASDKRXPPB-OLZOCXBDSA-N 2 1 336.402 1.972 20 0 EDADMP c1ccc(-n2nnnc2CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977633 452724041 /nfs/dbraw/zinc/72/40/41/452724041.db2.gz FNYWVXKSJIXVSR-DLBZAZTESA-N 2 1 340.475 1.916 20 0 EDADMP CCN(C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000664032850 452732521 /nfs/dbraw/zinc/73/25/21/452732521.db2.gz CUPQUOWPLBXXSI-HNNXBMFYSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655959613 452741441 /nfs/dbraw/zinc/74/14/41/452741441.db2.gz VAVPFJKTOGWCRY-DLBZAZTESA-N 2 1 344.459 1.478 20 0 EDADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000655963419 452746837 /nfs/dbraw/zinc/74/68/37/452746837.db2.gz ZNCBBPCLJQRALB-KSZLIROESA-N 2 1 346.475 1.270 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658143623 452749970 /nfs/dbraw/zinc/74/99/70/452749970.db2.gz BOBPTOLHRGHKNC-MISYRCLQSA-N 2 1 348.487 1.655 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3[NH2+]CC3(C)C)c2)CCO1 ZINC000645750272 452751308 /nfs/dbraw/zinc/75/13/08/452751308.db2.gz PGLANGXCJKTBLB-WMLDXEAASA-N 2 1 331.460 1.522 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3[NH2+]CC3(C)C)c2)CCO1 ZINC000645750272 452751312 /nfs/dbraw/zinc/75/13/12/452751312.db2.gz PGLANGXCJKTBLB-WMLDXEAASA-N 2 1 331.460 1.522 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654735957 452864035 /nfs/dbraw/zinc/86/40/35/452864035.db2.gz XJJREYKSGKCGPJ-GOSISDBHSA-N 2 1 333.476 1.545 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648165225 452876229 /nfs/dbraw/zinc/87/62/29/452876229.db2.gz YDHLMPUYJJOYMW-TVFCKZIOSA-N 2 1 329.444 1.144 20 0 EDADMP CCCc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n(C)n1 ZINC000666545095 452959505 /nfs/dbraw/zinc/95/95/05/452959505.db2.gz KTJVNHYTKHPOLC-AWEZNQCLSA-N 2 1 338.500 1.766 20 0 EDADMP CCCc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n(C)n1 ZINC000666545095 452959512 /nfs/dbraw/zinc/95/95/12/452959512.db2.gz KTJVNHYTKHPOLC-AWEZNQCLSA-N 2 1 338.500 1.766 20 0 EDADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249280 452973877 /nfs/dbraw/zinc/97/38/77/452973877.db2.gz RYHWOVJKZJUCGO-HIFRSBDPSA-N 2 1 338.473 1.604 20 0 EDADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249280 452973889 /nfs/dbraw/zinc/97/38/89/452973889.db2.gz RYHWOVJKZJUCGO-HIFRSBDPSA-N 2 1 338.473 1.604 20 0 EDADMP CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000656225050 452974097 /nfs/dbraw/zinc/97/40/97/452974097.db2.gz BQQVYLGPVZBRLX-ZIAGYGMSSA-N 2 1 349.483 1.525 20 0 EDADMP CC(C)Nc1nc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc(NCCO)[nH+]1 ZINC000656225050 452974116 /nfs/dbraw/zinc/97/41/16/452974116.db2.gz BQQVYLGPVZBRLX-ZIAGYGMSSA-N 2 1 349.483 1.525 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000652814136 452974082 /nfs/dbraw/zinc/97/40/82/452974082.db2.gz RXWOHBOENKZNMH-MOPGFXCFSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000652814136 452974087 /nfs/dbraw/zinc/97/40/87/452974087.db2.gz RXWOHBOENKZNMH-MOPGFXCFSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000652814136 452974096 /nfs/dbraw/zinc/97/40/96/452974096.db2.gz RXWOHBOENKZNMH-MOPGFXCFSA-N 2 1 345.487 1.829 20 0 EDADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000662257686 452984846 /nfs/dbraw/zinc/98/48/46/452984846.db2.gz PDYWMJFNBSPHPC-GOSISDBHSA-N 2 1 343.471 1.744 20 0 EDADMP CCO[C@@H]1C[C@@](CO)([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1(C)C ZINC000656257486 452993793 /nfs/dbraw/zinc/99/37/93/452993793.db2.gz JGOZIWWXKYIOLZ-LMMKCTJWSA-N 2 1 340.508 1.786 20 0 EDADMP CCN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658465583 452999500 /nfs/dbraw/zinc/99/95/00/452999500.db2.gz CJZKXOVOZNLWJL-QGZVFWFLSA-N 2 1 346.475 1.629 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)CC2)C1 ZINC000646003038 452999564 /nfs/dbraw/zinc/99/95/64/452999564.db2.gz OGKMNFMVGDXKQC-ZWKOTPCHSA-N 2 1 348.466 1.106 20 0 EDADMP NS(=O)(=O)c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)co1 ZINC000662293739 453016856 /nfs/dbraw/zinc/01/68/56/453016856.db2.gz MOKSBRDQQMOLMR-AWEZNQCLSA-N 2 1 327.450 1.139 20 0 EDADMP O=C1[C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000662298954 453021866 /nfs/dbraw/zinc/02/18/66/453021866.db2.gz UCKQQBCLXZPJQZ-RYQLBKOJSA-N 2 1 341.455 1.493 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCc2[nH]cnc2C1 ZINC000666638831 453029575 /nfs/dbraw/zinc/02/95/75/453029575.db2.gz NNGNWIKWRKUFFS-AWEZNQCLSA-N 2 1 339.443 1.690 20 0 EDADMP C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000654928594 453042312 /nfs/dbraw/zinc/04/23/12/453042312.db2.gz CKJDKNMBYFSBEJ-NUEKZKHPSA-N 2 1 341.521 1.039 20 0 EDADMP C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000654928594 453042324 /nfs/dbraw/zinc/04/23/24/453042324.db2.gz CKJDKNMBYFSBEJ-NUEKZKHPSA-N 2 1 341.521 1.039 20 0 EDADMP Cc1cccnc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337265 453052940 /nfs/dbraw/zinc/05/29/40/453052940.db2.gz KSKCVNJJFHRQFD-INIZCTEOSA-N 2 1 340.475 1.902 20 0 EDADMP Cc1ccc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)nc1 ZINC000662338345 453056715 /nfs/dbraw/zinc/05/67/15/453056715.db2.gz QRENRPNTNQHQEH-MRXNPFEDSA-N 2 1 340.475 1.902 20 0 EDADMP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065576 453077489 /nfs/dbraw/zinc/07/74/89/453077489.db2.gz WBCUJKVBEZZHIK-JQHSSLGASA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065576 453077496 /nfs/dbraw/zinc/07/74/96/453077496.db2.gz WBCUJKVBEZZHIK-JQHSSLGASA-N 2 1 331.460 1.392 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC000660151161 453083340 /nfs/dbraw/zinc/08/33/40/453083340.db2.gz PPKILIAPPABKHY-IBGZPJMESA-N 2 1 340.556 1.178 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)CN1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000660151161 453083345 /nfs/dbraw/zinc/08/33/45/453083345.db2.gz PPKILIAPPABKHY-IBGZPJMESA-N 2 1 340.556 1.178 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000660151161 453083354 /nfs/dbraw/zinc/08/33/54/453083354.db2.gz PPKILIAPPABKHY-IBGZPJMESA-N 2 1 340.556 1.178 20 0 EDADMP CN(C(=O)[C@H]1C[NH2+]CCC1(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000644153833 453085793 /nfs/dbraw/zinc/08/57/93/453085793.db2.gz VQZWCSYQWPSKHC-JKSUJKDBSA-N 2 1 337.414 1.964 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)C1 ZINC000654975563 453095956 /nfs/dbraw/zinc/09/59/56/453095956.db2.gz XXSUPIKPZNQZKD-LJQANCHMSA-N 2 1 348.535 1.489 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662389063 453099123 /nfs/dbraw/zinc/09/91/23/453099123.db2.gz SNDOZSIYKLJOMA-HNNXBMFYSA-N 2 1 348.495 1.587 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(=O)Nc1cccc(F)c1)CCO2 ZINC000646103724 453106159 /nfs/dbraw/zinc/10/61/59/453106159.db2.gz MFUZHVGWSHZBDV-UHFFFAOYSA-N 2 1 335.423 1.951 20 0 EDADMP [NH3+][C@@H](C(=O)NCC1CC[NH2+]CC1)c1ccccc1Br ZINC000662394998 453107120 /nfs/dbraw/zinc/10/71/20/453107120.db2.gz HOXAYMJPUNEZKC-CYBMUJFWSA-N 2 1 326.238 1.565 20 0 EDADMP C[NH2+][C@H](C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)c1cccc(Cl)c1Cl ZINC000662432453 453140395 /nfs/dbraw/zinc/14/03/95/453140395.db2.gz RKOKOTBATUAIHN-BHYNMZESSA-N 2 1 346.258 1.829 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000660296613 453184707 /nfs/dbraw/zinc/18/47/07/453184707.db2.gz DDJCUNMHOLOWTD-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000660296613 453184710 /nfs/dbraw/zinc/18/47/10/453184710.db2.gz DDJCUNMHOLOWTD-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP O=C(NC[C@H]1CCCC[NH2+]1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000666906545 453230172 /nfs/dbraw/zinc/23/01/72/453230172.db2.gz UPCOYMKWWJQVAV-GOSISDBHSA-N 2 1 346.475 1.825 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CCC)C2)CC[N@H+]1CCOC ZINC000666924299 453250029 /nfs/dbraw/zinc/25/00/29/453250029.db2.gz BSRYANDFQCNYOW-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CCC)C2)CC[NH+]1CCOC ZINC000666924299 453250033 /nfs/dbraw/zinc/25/00/33/453250033.db2.gz BSRYANDFQCNYOW-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCC)C2)CC[NH+]1CCOC ZINC000666924299 453250038 /nfs/dbraw/zinc/25/00/38/453250038.db2.gz BSRYANDFQCNYOW-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC000648786470 453269982 /nfs/dbraw/zinc/26/99/82/453269982.db2.gz CMUOVZWMKCSDAJ-IXDOHACOSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC000648786470 453269988 /nfs/dbraw/zinc/26/99/88/453269988.db2.gz CMUOVZWMKCSDAJ-IXDOHACOSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC000648786470 453269999 /nfs/dbraw/zinc/26/99/99/453269999.db2.gz CMUOVZWMKCSDAJ-IXDOHACOSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC000648786954 453273829 /nfs/dbraw/zinc/27/38/29/453273829.db2.gz XFPBQRGXUFDOCL-IXDOHACOSA-N 2 1 327.513 1.826 20 0 EDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662570966 453298195 /nfs/dbraw/zinc/29/81/95/453298195.db2.gz PKZNDCPNUNLPOY-NRUUGDAUSA-N 2 1 326.238 1.693 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[NH2+][C@@H](C(C)C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000646328514 453322888 /nfs/dbraw/zinc/32/28/88/453322888.db2.gz DMYJCNMRZBTITA-QBPKDAKJSA-N 2 1 325.497 1.577 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648872971 453348753 /nfs/dbraw/zinc/34/87/53/453348753.db2.gz NQNYIESNEFXQIO-GOSISDBHSA-N 2 1 347.503 1.660 20 0 EDADMP [NH3+][C@@H](C(=O)NCC1([NH3+])CCCC1)c1ccccc1Br ZINC000662647693 453361877 /nfs/dbraw/zinc/36/18/77/453361877.db2.gz QZBQUCJXPPWWER-GFCCVEGCSA-N 2 1 326.238 1.837 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000664756843 453381195 /nfs/dbraw/zinc/38/11/95/453381195.db2.gz XWFUCVMYEBIECX-JKSUJKDBSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCCO1 ZINC000664756843 453381201 /nfs/dbraw/zinc/38/12/01/453381201.db2.gz XWFUCVMYEBIECX-JKSUJKDBSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCCO1 ZINC000664756843 453381203 /nfs/dbraw/zinc/38/12/03/453381203.db2.gz XWFUCVMYEBIECX-JKSUJKDBSA-N 2 1 340.512 1.659 20 0 EDADMP CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000662692049 453411658 /nfs/dbraw/zinc/41/16/58/453411658.db2.gz MRRMWFHMAIMSMW-KRWDZBQOSA-N 2 1 331.460 1.888 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000662704588 453425856 /nfs/dbraw/zinc/42/58/56/453425856.db2.gz FABRXLITFHKXDB-YFHUEUNASA-N 2 1 333.476 1.136 20 0 EDADMP C[N@@H+]1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)[C@@H](Cc2ccccc2)C1 ZINC000653253813 453437968 /nfs/dbraw/zinc/43/79/68/453437968.db2.gz BAVOOKMEQJGYRT-ROUUACIJSA-N 2 1 327.472 1.761 20 0 EDADMP C[N@H+]1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)[C@@H](Cc2ccccc2)C1 ZINC000653253813 453437974 /nfs/dbraw/zinc/43/79/74/453437974.db2.gz BAVOOKMEQJGYRT-ROUUACIJSA-N 2 1 327.472 1.761 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662755402 453491721 /nfs/dbraw/zinc/49/17/21/453491721.db2.gz ARRHHOOVKAEVKS-UHFFFAOYSA-N 2 1 344.503 1.480 20 0 EDADMP COC[C@@H](C)OC[C@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675112 453505040 /nfs/dbraw/zinc/50/50/40/453505040.db2.gz GJSKXKFFUABWCA-VQIMIIECSA-N 2 1 336.476 1.653 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+](CC3CC3)C2)C1 ZINC000660706099 453531678 /nfs/dbraw/zinc/53/16/78/453531678.db2.gz NALQHHIZTKBBTQ-IRXDYDNUSA-N 2 1 338.496 1.128 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000660706099 453531682 /nfs/dbraw/zinc/53/16/82/453531682.db2.gz NALQHHIZTKBBTQ-IRXDYDNUSA-N 2 1 338.496 1.128 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000660706099 453531686 /nfs/dbraw/zinc/53/16/86/453531686.db2.gz NALQHHIZTKBBTQ-IRXDYDNUSA-N 2 1 338.496 1.128 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444212 453532877 /nfs/dbraw/zinc/53/28/77/453532877.db2.gz PRACNJCQODVQEH-UYAOXDASSA-N 2 1 343.471 1.525 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000662798950 453533356 /nfs/dbraw/zinc/53/33/56/453533356.db2.gz HPDHUWZNEUOGOU-SQNIBIBYSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[N@H+]1C ZINC000659036714 453592826 /nfs/dbraw/zinc/59/28/26/453592826.db2.gz SUNSFMBTDMYKRS-COXVUDFISA-N 2 1 332.448 1.952 20 0 EDADMP C[C@H](CNC(=O)NCc1cccnc1N1CCCC1)[N@@H+](C)C1CC1 ZINC000660855003 453612124 /nfs/dbraw/zinc/61/21/24/453612124.db2.gz IFNZBEDRZMKHJI-CQSZACIVSA-N 2 1 331.464 1.964 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000662941814 453617093 /nfs/dbraw/zinc/61/70/93/453617093.db2.gz YWPRBZYOGOEYCN-QGZVFWFLSA-N 2 1 330.476 1.190 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000662941814 453617095 /nfs/dbraw/zinc/61/70/95/453617095.db2.gz YWPRBZYOGOEYCN-QGZVFWFLSA-N 2 1 330.476 1.190 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000665240886 453620957 /nfs/dbraw/zinc/62/09/57/453620957.db2.gz VEVXAEXVZGFZLQ-VLQPXKRTSA-N 3 1 333.476 1.095 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000665271056 453631144 /nfs/dbraw/zinc/63/11/44/453631144.db2.gz GFFURDLNAUBJEU-SJORKVTESA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC3([NH3+])CCCC3)c2C1 ZINC000659099510 453631190 /nfs/dbraw/zinc/63/11/90/453631190.db2.gz DAWPYXBLLLLPFR-UHFFFAOYSA-N 2 1 344.459 1.738 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC3([NH3+])CCCC3)c2C1 ZINC000659099510 453631193 /nfs/dbraw/zinc/63/11/93/453631193.db2.gz DAWPYXBLLLLPFR-UHFFFAOYSA-N 2 1 344.459 1.738 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C3CCC3)C2)C1 ZINC000665284879 453635725 /nfs/dbraw/zinc/63/57/25/453635725.db2.gz XLQUXASYOULEQT-QZTJIDSGSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C3CCC3)C2)C1 ZINC000665284879 453635727 /nfs/dbraw/zinc/63/57/27/453635727.db2.gz XLQUXASYOULEQT-QZTJIDSGSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](C3CCC3)C2)C1 ZINC000665284879 453635729 /nfs/dbraw/zinc/63/57/29/453635729.db2.gz XLQUXASYOULEQT-QZTJIDSGSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291254 453638276 /nfs/dbraw/zinc/63/82/76/453638276.db2.gz YJYYMIRIBYXPSQ-GFCCVEGCSA-N 2 1 329.404 1.456 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000663002689 453643267 /nfs/dbraw/zinc/64/32/67/453643267.db2.gz HFBFNJQZUFXJJX-HZPDHXFCSA-N 2 1 346.479 1.054 20 0 EDADMP CNC(=O)c1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000665341753 453658869 /nfs/dbraw/zinc/65/88/69/453658869.db2.gz DHIHKIRPIOMSLS-AWEZNQCLSA-N 2 1 349.479 1.440 20 0 EDADMP C[C@@](C[NH3+])(NC(=O)c1sc2c(c1Br)C[NH2+]C2)C1CC1 ZINC000659296298 453706109 /nfs/dbraw/zinc/70/61/09/453706109.db2.gz KRCYXDMONBKZCQ-ZDUSSCGKSA-N 2 1 344.278 1.971 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000659312136 453711444 /nfs/dbraw/zinc/71/14/44/453711444.db2.gz WCHQNIPDABLPGV-LSDHHAIUSA-N 2 1 325.840 1.565 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000665663204 453784564 /nfs/dbraw/zinc/78/45/64/453784564.db2.gz SCQGUYDLIPKBIG-GOSISDBHSA-N 2 1 345.487 1.614 20 0 EDADMP CCN(C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H]1CC[N@@H+](CC)C1 ZINC000663480840 453805724 /nfs/dbraw/zinc/80/57/24/453805724.db2.gz UDPOJTPOPCGOJL-DLBZAZTESA-N 2 1 340.512 1.469 20 0 EDADMP CCN(C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CC[NH+](CC)C1 ZINC000663480840 453805727 /nfs/dbraw/zinc/80/57/27/453805727.db2.gz UDPOJTPOPCGOJL-DLBZAZTESA-N 2 1 340.512 1.469 20 0 EDADMP CCN(C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CC[NH+](CC)C1 ZINC000663480840 453805729 /nfs/dbraw/zinc/80/57/29/453805729.db2.gz UDPOJTPOPCGOJL-DLBZAZTESA-N 2 1 340.512 1.469 20 0 EDADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000663493867 453810044 /nfs/dbraw/zinc/81/00/44/453810044.db2.gz MEDCPXOYHPWTBG-INIZCTEOSA-N 2 1 347.434 1.239 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000661403144 453812277 /nfs/dbraw/zinc/81/22/77/453812277.db2.gz ZJSULRQHNOMAHG-MRXNPFEDSA-N 2 1 338.496 1.365 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676095851 486664467 /nfs/dbraw/zinc/66/44/67/486664467.db2.gz DAUNTRUEUHHCLG-UHFFFAOYSA-N 2 1 344.419 1.054 20 0 EDADMP Cc1ccncc1[C@H](C)[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000679942396 486678287 /nfs/dbraw/zinc/67/82/87/486678287.db2.gz NHDAMZJPFKHIKS-IRXDYDNUSA-N 2 1 348.491 1.514 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676243450 486703480 /nfs/dbraw/zinc/70/34/80/486703480.db2.gz NEAACCROGZFUKD-TWMKSMIVSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676243450 486703484 /nfs/dbraw/zinc/70/34/84/486703484.db2.gz NEAACCROGZFUKD-TWMKSMIVSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676243450 486703490 /nfs/dbraw/zinc/70/34/90/486703490.db2.gz NEAACCROGZFUKD-TWMKSMIVSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676243450 486703493 /nfs/dbraw/zinc/70/34/93/486703493.db2.gz NEAACCROGZFUKD-TWMKSMIVSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@@H](O)CN1CCN(C(=O)NCCN2Cc3ccccc3C2)[C@@H](C)C1 ZINC000672781518 486798802 /nfs/dbraw/zinc/79/88/02/486798802.db2.gz KNUSCBRFQHWIKW-JKSUJKDBSA-N 2 1 346.475 1.099 20 0 EDADMP COc1cc2c(cc1C[NH2+]CCCN1CCC[N@@H+](C)CC1)OCO2 ZINC000680544019 486806654 /nfs/dbraw/zinc/80/66/54/486806654.db2.gz GRAQDUUHHSQOIN-UHFFFAOYSA-N 2 1 335.448 1.541 20 0 EDADMP C[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[N@H+]1CCO ZINC000681755360 487158448 /nfs/dbraw/zinc/15/84/48/487158448.db2.gz RYJOXTUBISFDEU-GOSISDBHSA-N 2 1 347.503 1.660 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1CCO ZINC000681755360 487158450 /nfs/dbraw/zinc/15/84/50/487158450.db2.gz RYJOXTUBISFDEU-GOSISDBHSA-N 2 1 347.503 1.660 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1CCO ZINC000681755360 487158453 /nfs/dbraw/zinc/15/84/53/487158453.db2.gz RYJOXTUBISFDEU-GOSISDBHSA-N 2 1 347.503 1.660 20 0 EDADMP C[C@H](Cc1cnn(C)c1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000678143529 487257401 /nfs/dbraw/zinc/25/74/01/487257401.db2.gz KSMZPPDUAQSRQV-APWZRJJASA-N 2 1 328.460 1.578 20 0 EDADMP C[C@H](Cc1cnn(C)c1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000678143529 487257406 /nfs/dbraw/zinc/25/74/06/487257406.db2.gz KSMZPPDUAQSRQV-APWZRJJASA-N 2 1 328.460 1.578 20 0 EDADMP Cn1nnc2cc(C[N@@H+](C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)ccc21 ZINC000678719069 487356477 /nfs/dbraw/zinc/35/64/77/487356477.db2.gz HOUUCPVLODFQTM-KRWDZBQOSA-N 2 1 342.491 1.569 20 0 EDADMP COCCN1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000682559628 487389341 /nfs/dbraw/zinc/38/93/41/487389341.db2.gz LQJNKFJBEPAAIC-UHFFFAOYSA-N 2 1 349.475 1.308 20 0 EDADMP COCCN1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000682559628 487389343 /nfs/dbraw/zinc/38/93/43/487389343.db2.gz LQJNKFJBEPAAIC-UHFFFAOYSA-N 2 1 349.475 1.308 20 0 EDADMP CCC(O)(CC)C[N@@H+](C)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000679124267 487394174 /nfs/dbraw/zinc/39/41/74/487394174.db2.gz YTDVXMLTJBZDKG-UHFFFAOYSA-N 2 1 347.503 1.814 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)N3CC[C@@H]([NH3+])C3)CC[N@H+]2C2CC2)c1 ZINC000669554349 485551271 /nfs/dbraw/zinc/55/12/71/485551271.db2.gz DYHXQAMDHULTGE-OLMNPRSZSA-N 2 1 344.459 1.716 20 0 EDADMP Cc1ccc(CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(N2CCCC2)[nH+]1 ZINC000669555711 485557754 /nfs/dbraw/zinc/55/77/54/485557754.db2.gz BMCBOTFGOZMYDN-GJZGRUSLSA-N 2 1 331.464 1.869 20 0 EDADMP Cc1ccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000669555771 485558009 /nfs/dbraw/zinc/55/80/09/485558009.db2.gz GPKVHGPMDNKLAW-HOCLYGCPSA-N 2 1 331.464 1.917 20 0 EDADMP O=C(NCC[NH2+]C1CC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000669570467 485589653 /nfs/dbraw/zinc/58/96/53/485589653.db2.gz WBWMXVUSRLMYRD-SFHVURJKSA-N 2 1 346.475 1.329 20 0 EDADMP CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000668347787 485614139 /nfs/dbraw/zinc/61/41/39/485614139.db2.gz DWBOZCBVQIOVFQ-MRXNPFEDSA-N 2 1 340.512 1.164 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000668347783 485614953 /nfs/dbraw/zinc/61/49/53/485614953.db2.gz DWBJQWVEZMYCSA-IAGOWNOFSA-N 2 1 346.475 1.006 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000668359644 485638588 /nfs/dbraw/zinc/63/85/88/485638588.db2.gz AJWQJUYFDRWAKJ-IEBWSBKVSA-N 2 1 345.487 1.391 20 0 EDADMP Cc1cc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc(N2CCCC2)[nH+]1 ZINC000669588577 485643074 /nfs/dbraw/zinc/64/30/74/485643074.db2.gz DCRMJDZQQCRROF-INIZCTEOSA-N 2 1 331.464 1.932 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)CC[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC000458090424 485663570 /nfs/dbraw/zinc/66/35/70/485663570.db2.gz SOUXYNCJFYXCQB-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)CC[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC000458090424 485663574 /nfs/dbraw/zinc/66/35/74/485663574.db2.gz SOUXYNCJFYXCQB-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC000458090424 485663580 /nfs/dbraw/zinc/66/35/80/485663580.db2.gz SOUXYNCJFYXCQB-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC000458090424 485663585 /nfs/dbraw/zinc/66/35/85/485663585.db2.gz SOUXYNCJFYXCQB-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP C[N@@H+](CCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccccc1 ZINC000395319101 485802989 /nfs/dbraw/zinc/80/29/89/485802989.db2.gz KMHPXQOOJWIYTL-OAHLLOKOSA-N 2 1 329.366 1.777 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000668666966 486016680 /nfs/dbraw/zinc/01/66/80/486016680.db2.gz PIYYSWZRYUHGQY-OAHLLOKOSA-N 2 1 335.496 1.247 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000668727481 486093914 /nfs/dbraw/zinc/09/39/14/486093914.db2.gz FKDISTUFOYQGNP-WMZOPIPTSA-N 2 1 338.496 1.128 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NCC1CC[NH2+]CC1 ZINC000669459223 486213239 /nfs/dbraw/zinc/21/32/39/486213239.db2.gz UOQDMJNXLLLNRB-IBGZPJMESA-N 2 1 344.503 1.850 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669491344 486263344 /nfs/dbraw/zinc/26/33/44/486263344.db2.gz WBXISBVEENIEDG-RCCFBDPRSA-N 2 1 334.508 1.892 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000457988281 486454813 /nfs/dbraw/zinc/45/48/13/486454813.db2.gz QTXDFVOANFCSDA-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP CN(CCC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cc[nH+]cc1 ZINC000679409377 491011366 /nfs/dbraw/zinc/01/13/66/491011366.db2.gz ZTOBATNFSVIOES-MRXNPFEDSA-N 2 1 345.491 1.193 20 0 EDADMP CN(CCC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc[nH+]cc1 ZINC000679409377 491011367 /nfs/dbraw/zinc/01/13/67/491011367.db2.gz ZTOBATNFSVIOES-MRXNPFEDSA-N 2 1 345.491 1.193 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+](CC)CC)C[C@H]1[NH+]1CCOCC1 ZINC000426017374 491167592 /nfs/dbraw/zinc/16/75/92/491167592.db2.gz ZNNRRYBIPQLZQK-BRWVUGGUSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000418493594 517448771 /nfs/dbraw/zinc/44/87/71/517448771.db2.gz QYTAIBHZHFFWRE-MRXNPFEDSA-N 2 1 348.491 1.959 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000247218182 535009432 /nfs/dbraw/zinc/00/94/32/535009432.db2.gz YHTSRMJZXXCOHY-BBWFWOEESA-N 2 1 340.512 1.515 20 0 EDADMP CC(C[NH+](C)CCc1cnccn1)C[N@H+](C)CCc1cnccn1 ZINC000271316212 535175455 /nfs/dbraw/zinc/17/54/55/535175455.db2.gz IZNMBSSSJAGWKI-UHFFFAOYSA-N 2 1 328.464 1.552 20 0 EDADMP CC(C[NH+](C)CCc1cnccn1)C[N@@H+](C)CCc1cnccn1 ZINC000271316212 535175459 /nfs/dbraw/zinc/17/54/59/535175459.db2.gz IZNMBSSSJAGWKI-UHFFFAOYSA-N 2 1 328.464 1.552 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000262707964 535176288 /nfs/dbraw/zinc/17/62/88/535176288.db2.gz DRKPXOVGZIFHAY-CVEARBPZSA-N 2 1 333.480 1.658 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000345623867 535206630 /nfs/dbraw/zinc/20/66/30/535206630.db2.gz DILCSVQSQGKABX-ZIAGYGMSSA-N 2 1 325.478 1.576 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000352654598 535220045 /nfs/dbraw/zinc/22/00/45/535220045.db2.gz CAQSKEQNVUCPOP-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP CCCC[NH+](C)CCNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000352654598 535220049 /nfs/dbraw/zinc/22/00/49/535220049.db2.gz CAQSKEQNVUCPOP-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP CCCC[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000352654598 535220052 /nfs/dbraw/zinc/22/00/52/535220052.db2.gz CAQSKEQNVUCPOP-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000236884065 535355949 /nfs/dbraw/zinc/35/59/49/535355949.db2.gz MLBQBIHFXGOHOI-SFHVURJKSA-N 2 1 332.492 1.681 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000345359107 535362172 /nfs/dbraw/zinc/36/21/72/535362172.db2.gz ABICHUCDMXPKRY-QGZVFWFLSA-N 2 1 348.491 1.903 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000333422701 535662770 /nfs/dbraw/zinc/66/27/70/535662770.db2.gz ISRIDFXJCMDLDG-OAHLLOKOSA-N 2 1 344.463 1.779 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4c(c3)nnn4C)C2)CC1 ZINC000353332302 535735719 /nfs/dbraw/zinc/73/57/19/535735719.db2.gz PPQUKBVKNGKFAS-MRXNPFEDSA-N 2 1 328.464 1.180 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)ccc1=O ZINC000270084066 535934226 /nfs/dbraw/zinc/93/42/26/535934226.db2.gz JEBVCAYFDFOEIV-KRWDZBQOSA-N 2 1 346.475 1.755 20 0 EDADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000246093434 536325165 /nfs/dbraw/zinc/32/51/65/536325165.db2.gz VMIMALCDWFBQTO-LSDHHAIUSA-N 2 1 338.496 1.807 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000074616835 536503319 /nfs/dbraw/zinc/50/33/19/536503319.db2.gz ODRCYRYKIDSOJP-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000074616835 536503325 /nfs/dbraw/zinc/50/33/25/536503325.db2.gz ODRCYRYKIDSOJP-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000074616835 536503331 /nfs/dbraw/zinc/50/33/31/536503331.db2.gz ODRCYRYKIDSOJP-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C3C[NH2+]C3)C2)cc(OC)c1 ZINC000262418807 536768947 /nfs/dbraw/zinc/76/89/47/536768947.db2.gz RNCATGULFVJMQU-BBRMVZONSA-N 2 1 347.459 1.250 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C3C[NH2+]C3)C2)cc(OC)c1 ZINC000262418807 536768957 /nfs/dbraw/zinc/76/89/57/536768957.db2.gz RNCATGULFVJMQU-BBRMVZONSA-N 2 1 347.459 1.250 20 0 EDADMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000348074672 536888700 /nfs/dbraw/zinc/88/87/00/536888700.db2.gz MHNHBEKXJXOWLZ-NVXWUHKLSA-N 2 1 336.480 1.835 20 0 EDADMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000348074672 536888702 /nfs/dbraw/zinc/88/87/02/536888702.db2.gz MHNHBEKXJXOWLZ-NVXWUHKLSA-N 2 1 336.480 1.835 20 0 EDADMP CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[N@H+]1C[C@H](C)O ZINC000742780189 579462111 /nfs/dbraw/zinc/46/21/11/579462111.db2.gz IMZLUULSDBZXEA-DLBZAZTESA-N 2 1 325.497 1.556 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC000725713188 578277616 /nfs/dbraw/zinc/27/76/16/578277616.db2.gz MMDLPJGYGFYSGW-SFHVURJKSA-N 2 1 337.508 1.679 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1C[C@H]1CC1(Cl)Cl ZINC000729930559 578602952 /nfs/dbraw/zinc/60/29/52/578602952.db2.gz URSIXPOFFBAMSS-MCIONIFRSA-N 2 1 336.307 1.517 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C[C@H]1CC1(Cl)Cl ZINC000729930559 578602954 /nfs/dbraw/zinc/60/29/54/578602954.db2.gz URSIXPOFFBAMSS-MCIONIFRSA-N 2 1 336.307 1.517 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=S)NCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000760467062 580031418 /nfs/dbraw/zinc/03/14/18/580031418.db2.gz OTFCWQCYCOMYGX-GASCZTMLSA-N 2 1 342.553 1.292 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734277541 578804746 /nfs/dbraw/zinc/80/47/46/578804746.db2.gz XAKWKKXBEMPPOD-QGZVFWFLSA-N 2 1 340.512 1.661 20 0 EDADMP CC[NH+](CC)CC1CC[NH+](CN2C(=O)N[C@@H](CC(C)C)C2=O)CC1 ZINC000738072071 579157034 /nfs/dbraw/zinc/15/70/34/579157034.db2.gz ZLPHHCQZFZAEFK-INIZCTEOSA-N 2 1 338.496 1.964 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000761550476 580059111 /nfs/dbraw/zinc/05/91/11/580059111.db2.gz OFVRNWYSHKBPRM-HOTGVXAUSA-N 2 1 342.553 1.436 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000761550476 580059112 /nfs/dbraw/zinc/05/91/12/580059112.db2.gz OFVRNWYSHKBPRM-HOTGVXAUSA-N 2 1 342.553 1.436 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000761550476 580059113 /nfs/dbraw/zinc/05/91/13/580059113.db2.gz OFVRNWYSHKBPRM-HOTGVXAUSA-N 2 1 342.553 1.436 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000746618225 579603522 /nfs/dbraw/zinc/60/35/22/579603522.db2.gz MFARARMNXZAFGU-INIZCTEOSA-N 2 1 339.480 1.348 20 0 EDADMP C[C@H]1C[C@H](NC(=O)CCN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000751048637 579792919 /nfs/dbraw/zinc/79/29/19/579792919.db2.gz YDZGXHDLUGTMTA-PKOBYXMFSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000751048637 579792920 /nfs/dbraw/zinc/79/29/20/579792920.db2.gz YDZGXHDLUGTMTA-PKOBYXMFSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCC(N)=O)cc2)CCCO1 ZINC000762483710 580075322 /nfs/dbraw/zinc/07/53/22/580075322.db2.gz XAAGMTQTFYGYKC-HNNXBMFYSA-N 2 1 335.448 1.141 20 0 EDADMP CC1(C)CCC[N@H+](CCNC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000766535725 580169154 /nfs/dbraw/zinc/16/91/54/580169154.db2.gz BLFXNEUWHYIPGL-UHFFFAOYSA-N 2 1 342.553 1.295 20 0 EDADMP CC1(C)CCC[N@@H+](CCNC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000766535725 580169155 /nfs/dbraw/zinc/16/91/55/580169155.db2.gz BLFXNEUWHYIPGL-UHFFFAOYSA-N 2 1 342.553 1.295 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)/C=C\c3cccc(O)c3)C2)CC1 ZINC000780672402 580530872 /nfs/dbraw/zinc/53/08/72/580530872.db2.gz YAWABNLUVKYMNG-OGZRUICASA-N 2 1 329.444 1.690 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)/C=C\c3cccc(O)c3)C2)CC1 ZINC000780672402 580530873 /nfs/dbraw/zinc/53/08/73/580530873.db2.gz YAWABNLUVKYMNG-OGZRUICASA-N 2 1 329.444 1.690 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000781861582 580558885 /nfs/dbraw/zinc/55/88/85/580558885.db2.gz MKLSZQSVPIUZAR-MRXNPFEDSA-N 2 1 327.513 1.802 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000781861582 580558886 /nfs/dbraw/zinc/55/88/86/580558886.db2.gz MKLSZQSVPIUZAR-MRXNPFEDSA-N 2 1 327.513 1.802 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000781861582 580558887 /nfs/dbraw/zinc/55/88/87/580558887.db2.gz MKLSZQSVPIUZAR-MRXNPFEDSA-N 2 1 327.513 1.802 20 0 EDADMP Cn1cncc1[C@@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000783984696 580610262 /nfs/dbraw/zinc/61/02/62/580610262.db2.gz OFWCHCBMRKFQET-QGZVFWFLSA-N 2 1 345.491 1.501 20 0 EDADMP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000787676836 580701513 /nfs/dbraw/zinc/70/15/13/580701513.db2.gz RQPFYIAEACSZTF-HNNXBMFYSA-N 2 1 327.469 1.698 20 0 EDADMP CC(C)(C)OC(=O)NCCN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000787676836 580701514 /nfs/dbraw/zinc/70/15/14/580701514.db2.gz RQPFYIAEACSZTF-HNNXBMFYSA-N 2 1 327.469 1.698 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000793022027 580834147 /nfs/dbraw/zinc/83/41/47/580834147.db2.gz MABMTEQIGHFBIN-KRWDZBQOSA-N 2 1 336.480 1.191 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1C[C@@H]3CC[N@H+](C)C[C@@H]3C1)n2C ZINC000793920740 580860235 /nfs/dbraw/zinc/86/02/35/580860235.db2.gz GIFKEYYJXIIMFV-QWHCGFSZSA-N 2 1 342.447 1.058 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1C[C@@H]3CC[N@@H+](C)C[C@@H]3C1)n2C ZINC000793920740 580860236 /nfs/dbraw/zinc/86/02/36/580860236.db2.gz GIFKEYYJXIIMFV-QWHCGFSZSA-N 2 1 342.447 1.058 20 0 EDADMP CC(C)[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000799135088 581018118 /nfs/dbraw/zinc/01/81/18/581018118.db2.gz ZCYFOVMLRIRUPB-GOSISDBHSA-N 2 1 336.480 1.574 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000891815858 590633361 /nfs/dbraw/zinc/63/33/61/590633361.db2.gz HFUGYZSVIOCYHE-INIZCTEOSA-N 2 1 348.491 1.768 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000891816395 590633956 /nfs/dbraw/zinc/63/39/56/590633956.db2.gz BOTIHOQUJIEYRA-OKZBNKHCSA-N 2 1 328.460 1.653 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC1CC[NH2+]CC1 ZINC000891958125 590707414 /nfs/dbraw/zinc/70/74/14/590707414.db2.gz BUNDPUSTXQVQIZ-DOTOQJQBSA-N 2 1 330.476 1.806 20 0 EDADMP c1cc(N[C@@H]2CC[N@H+](C3CC3)C2)nc(N[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000892001203 590737970 /nfs/dbraw/zinc/73/79/70/590737970.db2.gz YPZUYYAQNUGRFY-ZIAGYGMSSA-N 2 1 328.464 1.774 20 0 EDADMP c1cc(N[C@@H]2CC[NH+](C3CC3)C2)nc(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000892001203 590737971 /nfs/dbraw/zinc/73/79/71/590737971.db2.gz YPZUYYAQNUGRFY-ZIAGYGMSSA-N 2 1 328.464 1.774 20 0 EDADMP c1cc(N[C@@H]2CC[NH+](C3CC3)C2)nc(N[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000892001203 590737972 /nfs/dbraw/zinc/73/79/72/590737972.db2.gz YPZUYYAQNUGRFY-ZIAGYGMSSA-N 2 1 328.464 1.774 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)C2)cc1 ZINC000892150696 590823553 /nfs/dbraw/zinc/82/35/53/590823553.db2.gz KQWOBCNBYIPCLO-HUUCEWRRSA-N 2 1 340.418 1.851 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cn1 ZINC000892196161 590859294 /nfs/dbraw/zinc/85/92/94/590859294.db2.gz CLRUNNUQULZLND-HOTGVXAUSA-N 2 1 340.431 1.421 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cn1 ZINC000892196161 590859297 /nfs/dbraw/zinc/85/92/97/590859297.db2.gz CLRUNNUQULZLND-HOTGVXAUSA-N 2 1 340.431 1.421 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCC12CC[NH+](C)CC2)Cc1ccccc1 ZINC000892262935 590896119 /nfs/dbraw/zinc/89/61/19/590896119.db2.gz OEHPMCXKJAXUKX-UHFFFAOYSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+]1CCC(CNc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000892339748 590967941 /nfs/dbraw/zinc/96/79/41/590967941.db2.gz JUZOZORFARFGJO-GOSISDBHSA-N 2 1 330.476 1.890 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cnc2nccn2c1 ZINC000888989824 590970507 /nfs/dbraw/zinc/97/05/07/590970507.db2.gz AJCCDGBYRNLJPE-ZDUSSCGKSA-N 2 1 333.440 1.123 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cnc2nccn2c1 ZINC000888989824 590970509 /nfs/dbraw/zinc/97/05/09/590970509.db2.gz AJCCDGBYRNLJPE-ZDUSSCGKSA-N 2 1 333.440 1.123 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000892343428 590971369 /nfs/dbraw/zinc/97/13/69/590971369.db2.gz ZRIPZHBXDPAAHF-LSDHHAIUSA-N 2 1 330.476 1.956 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)c1 ZINC000892489583 591046756 /nfs/dbraw/zinc/04/67/56/591046756.db2.gz DAOZITDUAGCVAC-HDICACEKSA-N 2 1 330.476 1.841 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000892489583 591046760 /nfs/dbraw/zinc/04/67/60/591046760.db2.gz DAOZITDUAGCVAC-HDICACEKSA-N 2 1 330.476 1.841 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000892489583 591046764 /nfs/dbraw/zinc/04/67/64/591046764.db2.gz DAOZITDUAGCVAC-HDICACEKSA-N 2 1 330.476 1.841 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892535837 591063391 /nfs/dbraw/zinc/06/33/91/591063391.db2.gz IWIWKEJMCNFXCI-KRWDZBQOSA-N 2 1 348.491 1.622 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892535837 591063396 /nfs/dbraw/zinc/06/33/96/591063396.db2.gz IWIWKEJMCNFXCI-KRWDZBQOSA-N 2 1 348.491 1.622 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000892536762 591065037 /nfs/dbraw/zinc/06/50/37/591065037.db2.gz SKNDRAJWBTZNJZ-WBVHZDCISA-N 2 1 334.464 1.184 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000892536762 591065041 /nfs/dbraw/zinc/06/50/41/591065041.db2.gz SKNDRAJWBTZNJZ-WBVHZDCISA-N 2 1 334.464 1.184 20 0 EDADMP CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1C)[C@@H]1CC[NH2+]C1 ZINC000891407573 591068177 /nfs/dbraw/zinc/06/81/77/591068177.db2.gz TYTPHAZXHBLNQX-OAHLLOKOSA-N 2 1 328.420 1.469 20 0 EDADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000891513915 591100603 /nfs/dbraw/zinc/10/06/03/591100603.db2.gz JSKPDBPEJFYVIA-KDOFPFPSSA-N 2 1 346.475 1.834 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1cccc(F)c1 ZINC000891534217 591110764 /nfs/dbraw/zinc/11/07/64/591110764.db2.gz AZLLLTVHETYUTK-XIRDDKMYSA-N 2 1 334.439 1.774 20 0 EDADMP CN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C)C1 ZINC000891534631 591111693 /nfs/dbraw/zinc/11/16/93/591111693.db2.gz NPHIBWRNEWKYKZ-MSOLQXFVSA-N 2 1 332.492 1.895 20 0 EDADMP COc1cccc([C@@H](CNC(=O)NCC[N@H+]2CC[C@H](C)C2)[NH+](C)C)c1 ZINC000891539039 591113883 /nfs/dbraw/zinc/11/38/83/591113883.db2.gz JGPGEHVDUCKMMB-MAUKXSAKSA-N 2 1 348.491 1.939 20 0 EDADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000891546098 591118456 /nfs/dbraw/zinc/11/84/56/591118456.db2.gz PGUMFARYMJNCJA-KRWDZBQOSA-N 2 1 332.448 1.445 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCS(=O)CC3)c2)CCO1 ZINC000892677030 591124977 /nfs/dbraw/zinc/12/49/77/591124977.db2.gz STDWAKZSRHQSLF-AQPJMAJASA-N 2 1 336.501 1.908 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCS(=O)CC3)c2)CCO1 ZINC000892677030 591124981 /nfs/dbraw/zinc/12/49/81/591124981.db2.gz STDWAKZSRHQSLF-AQPJMAJASA-N 2 1 336.501 1.908 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000891590890 591138282 /nfs/dbraw/zinc/13/82/82/591138282.db2.gz FCCFTIZQWMIRNC-LEUOFYLZSA-N 2 1 346.475 1.312 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000891590890 591138286 /nfs/dbraw/zinc/13/82/86/591138286.db2.gz FCCFTIZQWMIRNC-LEUOFYLZSA-N 2 1 346.475 1.312 20 0 EDADMP CC[C@@H](CO)Nc1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)ncn1 ZINC000893960430 591149623 /nfs/dbraw/zinc/14/96/23/591149623.db2.gz SJOMWMYAVOYZKW-CABCVRRESA-N 2 1 333.480 1.970 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891673024 591178838 /nfs/dbraw/zinc/17/88/38/591178838.db2.gz GNMIKHOOCOHMCH-ACJLOTCBSA-N 2 1 328.460 1.614 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC([NH2+]C2CCC2)CC1 ZINC000892817562 591192755 /nfs/dbraw/zinc/19/27/55/591192755.db2.gz DZMHQCFHKXNHEE-IRXDYDNUSA-N 2 1 336.480 1.166 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@H]1c1ccccc1 ZINC000891722495 591198728 /nfs/dbraw/zinc/19/87/28/591198728.db2.gz CWFPPZVODUCLKU-IMBTUZDBSA-N 2 1 328.460 1.683 20 0 EDADMP Cc1noc2ncc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc12 ZINC000894333267 591281559 /nfs/dbraw/zinc/28/15/59/591281559.db2.gz VOOJIHKCBTYOJZ-DLBZAZTESA-N 2 1 330.432 1.999 20 0 EDADMP Cc1noc2ncc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc12 ZINC000894333272 591281720 /nfs/dbraw/zinc/28/17/20/591281720.db2.gz VOOJIHKCBTYOJZ-IRXDYDNUSA-N 2 1 330.432 1.999 20 0 EDADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000894520220 591329980 /nfs/dbraw/zinc/32/99/80/591329980.db2.gz HKIBUDVBUARTHV-OAHLLOKOSA-N 2 1 329.510 1.122 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@H]1[NH+]1CCCC1 ZINC000897376694 591353641 /nfs/dbraw/zinc/35/36/41/591353641.db2.gz CWVGBYWBLXOTLE-RRFJBIMHSA-N 2 1 325.522 1.897 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C[C@H]1[NH+]1CCCC1 ZINC000897376694 591353645 /nfs/dbraw/zinc/35/36/45/591353645.db2.gz CWVGBYWBLXOTLE-RRFJBIMHSA-N 2 1 325.522 1.897 20 0 EDADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)n[nH]1 ZINC000896132784 591357880 /nfs/dbraw/zinc/35/78/80/591357880.db2.gz LEZCXRULHSFYJU-IUODEOHRSA-N 2 1 328.420 1.919 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000897454118 591459821 /nfs/dbraw/zinc/45/98/21/591459821.db2.gz BCBMKALOXFDYCI-HOTGVXAUSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000897454118 591459823 /nfs/dbraw/zinc/45/98/23/591459823.db2.gz BCBMKALOXFDYCI-HOTGVXAUSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000897454118 591459824 /nfs/dbraw/zinc/45/98/24/591459824.db2.gz BCBMKALOXFDYCI-HOTGVXAUSA-N 2 1 338.496 1.223 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000894905204 591467501 /nfs/dbraw/zinc/46/75/01/591467501.db2.gz BYCGIMPVBNSAMM-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000894905204 591467505 /nfs/dbraw/zinc/46/75/05/591467505.db2.gz BYCGIMPVBNSAMM-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000894905204 591467510 /nfs/dbraw/zinc/46/75/10/591467510.db2.gz BYCGIMPVBNSAMM-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000897469797 591471725 /nfs/dbraw/zinc/47/17/25/591471725.db2.gz RBHBFSCIBVYTGG-MRXNPFEDSA-N 2 1 340.512 1.328 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000897470620 591473615 /nfs/dbraw/zinc/47/36/15/591473615.db2.gz HNPSAERUOFDKFB-QRQLOZEOSA-N 2 1 344.503 1.973 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000897470620 591473619 /nfs/dbraw/zinc/47/36/19/591473619.db2.gz HNPSAERUOFDKFB-QRQLOZEOSA-N 2 1 344.503 1.973 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000897470620 591473623 /nfs/dbraw/zinc/47/36/23/591473623.db2.gz HNPSAERUOFDKFB-QRQLOZEOSA-N 2 1 344.503 1.973 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2cc([C@H]3CCCN3C)n[nH]2)CC1 ZINC000897492550 591497283 /nfs/dbraw/zinc/49/72/83/591497283.db2.gz ALTQVHLKNCNPLJ-CXAGYDPISA-N 2 1 349.479 1.094 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000897492550 591497285 /nfs/dbraw/zinc/49/72/85/591497285.db2.gz ALTQVHLKNCNPLJ-CXAGYDPISA-N 2 1 349.479 1.094 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000897492550 591497288 /nfs/dbraw/zinc/49/72/88/591497288.db2.gz ALTQVHLKNCNPLJ-CXAGYDPISA-N 2 1 349.479 1.094 20 0 EDADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000897492550 591497290 /nfs/dbraw/zinc/49/72/90/591497290.db2.gz ALTQVHLKNCNPLJ-CXAGYDPISA-N 2 1 349.479 1.094 20 0 EDADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000897492550 591497292 /nfs/dbraw/zinc/49/72/92/591497292.db2.gz ALTQVHLKNCNPLJ-CXAGYDPISA-N 2 1 349.479 1.094 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[NH+]1CCSCC1 ZINC000895269084 591689510 /nfs/dbraw/zinc/68/95/10/591689510.db2.gz RMPPCHGMJQRIDF-GJZGRUSLSA-N 2 1 334.489 1.556 20 0 EDADMP CN(C(=O)C1C[NH+]([C@H]2CCOC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000896993719 591703623 /nfs/dbraw/zinc/70/36/23/591703623.db2.gz ROCJKLFQUAMHJP-OALUTQOASA-N 2 1 343.471 1.440 20 0 EDADMP CO[C@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)Cc3cccnc3N2C1 ZINC000899163777 591712579 /nfs/dbraw/zinc/71/25/79/591712579.db2.gz JQQIFLHDAJJYNF-JYJNAYRXSA-N 2 1 330.432 1.112 20 0 EDADMP CO[C@H]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C)Cc3cccnc3N2C1 ZINC000899163777 591712585 /nfs/dbraw/zinc/71/25/85/591712585.db2.gz JQQIFLHDAJJYNF-JYJNAYRXSA-N 2 1 330.432 1.112 20 0 EDADMP C[N@H+]1C[C@@H]2CN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000899252744 591746174 /nfs/dbraw/zinc/74/61/74/591746174.db2.gz IXMSQXIXCWCTSU-MRAWALMUSA-N 2 1 331.391 1.341 20 0 EDADMP C[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895607372 591820825 /nfs/dbraw/zinc/82/08/25/591820825.db2.gz XOXZFRDQBFZTMD-FPCVCCKLSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)NCC[N@H+]1CC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895607372 591820828 /nfs/dbraw/zinc/82/08/28/591820828.db2.gz XOXZFRDQBFZTMD-FPCVCCKLSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CC[C@@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895607372 591820831 /nfs/dbraw/zinc/82/08/31/591820831.db2.gz XOXZFRDQBFZTMD-FPCVCCKLSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CC[C@@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895607372 591820834 /nfs/dbraw/zinc/82/08/34/591820834.db2.gz XOXZFRDQBFZTMD-FPCVCCKLSA-N 2 1 326.485 1.125 20 0 EDADMP CN(C[C@H](O)C[N@@H+]1CCC12CC[NH+](C)CC2)C(=O)OC(C)(C)C ZINC000899909891 591977129 /nfs/dbraw/zinc/97/71/29/591977129.db2.gz HCKUNUMMHHUTCL-AWEZNQCLSA-N 2 1 327.469 1.384 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CCC12CC[NH+](C)CC2)C(=O)OC(C)(C)C ZINC000899909891 591977133 /nfs/dbraw/zinc/97/71/33/591977133.db2.gz HCKUNUMMHHUTCL-AWEZNQCLSA-N 2 1 327.469 1.384 20 0 EDADMP COCC[C@H]1CCN(C[N@H+](CCOC)CC2CC[NH+](C)CC2)C1=O ZINC000902347762 591978124 /nfs/dbraw/zinc/97/81/24/591978124.db2.gz VGFDMRKXVGHGOQ-QGZVFWFLSA-N 2 1 341.496 1.119 20 0 EDADMP COCC[C@H]1CCN(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)C1=O ZINC000902347762 591978127 /nfs/dbraw/zinc/97/81/27/591978127.db2.gz VGFDMRKXVGHGOQ-QGZVFWFLSA-N 2 1 341.496 1.119 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C12CC[NH+](CC1)C2 ZINC000900313502 591985800 /nfs/dbraw/zinc/98/58/00/591985800.db2.gz ZDXSHUMWNVWHHD-UHFFFAOYSA-N 2 1 329.444 1.596 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900336414 591988259 /nfs/dbraw/zinc/98/82/59/591988259.db2.gz SWIFJDSMKWTDAP-JTOWHCCKSA-N 2 1 325.497 1.314 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900336414 591988262 /nfs/dbraw/zinc/98/82/62/591988262.db2.gz SWIFJDSMKWTDAP-JTOWHCCKSA-N 2 1 325.497 1.314 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900336414 591988267 /nfs/dbraw/zinc/98/82/67/591988267.db2.gz SWIFJDSMKWTDAP-JTOWHCCKSA-N 2 1 325.497 1.314 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900336414 591988269 /nfs/dbraw/zinc/98/82/69/591988269.db2.gz SWIFJDSMKWTDAP-JTOWHCCKSA-N 2 1 325.497 1.314 20 0 EDADMP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902388272 591990067 /nfs/dbraw/zinc/99/00/67/591990067.db2.gz NGYOTRNFFZQWMK-OAHLLOKOSA-N 2 1 339.505 1.805 20 0 EDADMP O=S(=O)(CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)N1CCCC1 ZINC000902449980 591999090 /nfs/dbraw/zinc/99/90/90/591999090.db2.gz AYYCTNKLSYVECJ-HZPDHXFCSA-N 2 1 329.510 1.170 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902788942 592064444 /nfs/dbraw/zinc/06/44/44/592064444.db2.gz BBNHKGBFCIJIND-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000900720951 592104088 /nfs/dbraw/zinc/10/40/88/592104088.db2.gz HUYSWFSGXOJZHX-UYAOXDASSA-N 2 1 345.487 1.614 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000900720951 592104089 /nfs/dbraw/zinc/10/40/89/592104089.db2.gz HUYSWFSGXOJZHX-UYAOXDASSA-N 2 1 345.487 1.614 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000900720951 592104090 /nfs/dbraw/zinc/10/40/90/592104090.db2.gz HUYSWFSGXOJZHX-UYAOXDASSA-N 2 1 345.487 1.614 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)CC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000900842251 592144763 /nfs/dbraw/zinc/14/47/63/592144763.db2.gz IODMWGQNQNWBDY-UHFFFAOYSA-N 2 1 338.540 1.641 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[C@@H]1C ZINC000900846075 592145908 /nfs/dbraw/zinc/14/59/08/592145908.db2.gz PDGUAHYWPHUTCA-GJZGRUSLSA-N 2 1 344.459 1.818 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[C@@H]1C ZINC000900846075 592145911 /nfs/dbraw/zinc/14/59/11/592145911.db2.gz PDGUAHYWPHUTCA-GJZGRUSLSA-N 2 1 344.459 1.818 20 0 EDADMP OC1(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)CCOCC1 ZINC000903347077 592156490 /nfs/dbraw/zinc/15/64/90/592156490.db2.gz OQEJICCWCKUDDI-QGZVFWFLSA-N 2 1 338.492 1.541 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1)N1CC[NH2+]CC1 ZINC000903422335 592170552 /nfs/dbraw/zinc/17/05/52/592170552.db2.gz YVUGIZIMUXBVGI-QGZVFWFLSA-N 2 1 326.444 1.812 20 0 EDADMP CC[N@H+]1CCC[C@H](CN(C)C[C@@H]2C[NH2+]C[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000903463692 592172309 /nfs/dbraw/zinc/17/23/09/592172309.db2.gz JCBCZCJHTVYEGL-VXIBKDFQSA-N 2 1 333.524 1.980 20 0 EDADMP CCN1CCC[C@H](C[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000903463692 592172312 /nfs/dbraw/zinc/17/23/12/592172312.db2.gz JCBCZCJHTVYEGL-VXIBKDFQSA-N 2 1 333.524 1.980 20 0 EDADMP CCN1CCC[C@H](C[N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000903463692 592172314 /nfs/dbraw/zinc/17/23/14/592172314.db2.gz JCBCZCJHTVYEGL-VXIBKDFQSA-N 2 1 333.524 1.980 20 0 EDADMP [NH3+][C@H]1CCCCC[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903476846 592176122 /nfs/dbraw/zinc/17/61/22/592176122.db2.gz LSTIBFUKMLFPAO-HNNXBMFYSA-N 2 1 345.443 1.503 20 0 EDADMP [NH3+][C@H]1CCCCC[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903476846 592176124 /nfs/dbraw/zinc/17/61/24/592176124.db2.gz LSTIBFUKMLFPAO-HNNXBMFYSA-N 2 1 345.443 1.503 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCOc1cc(C)ccc1C)C2 ZINC000903493682 592186164 /nfs/dbraw/zinc/18/61/64/592186164.db2.gz ZPKPRWOOAMQJCK-FCEWJHQRSA-N 2 1 332.444 1.895 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccnn1CC[NH+](C)C ZINC000900982976 592189549 /nfs/dbraw/zinc/18/95/49/592189549.db2.gz GWVWTCGGSWZHJK-HZPDHXFCSA-N 2 1 333.480 1.534 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000901026907 592203768 /nfs/dbraw/zinc/20/37/68/592203768.db2.gz QNERNOYYQHFKGU-SJLPKXTDSA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000901026907 592203770 /nfs/dbraw/zinc/20/37/70/592203770.db2.gz QNERNOYYQHFKGU-SJLPKXTDSA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000901026907 592203772 /nfs/dbraw/zinc/20/37/72/592203772.db2.gz QNERNOYYQHFKGU-SJLPKXTDSA-N 2 1 336.524 1.392 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906664590 592247131 /nfs/dbraw/zinc/24/71/31/592247131.db2.gz MFGDCUISEGFXES-CJNGLKHVSA-N 2 1 344.459 1.514 20 0 EDADMP COC(=O)COc1c(C)cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1C ZINC000904420416 592257808 /nfs/dbraw/zinc/25/78/08/592257808.db2.gz NZIHGIBXVADUOM-DLBZAZTESA-N 2 1 332.444 1.897 20 0 EDADMP COc1ccc(C[N@@H+](CCCO)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000904470935 592268791 /nfs/dbraw/zinc/26/87/91/592268791.db2.gz DBMLJTOYKLSYRP-QGZVFWFLSA-N 2 1 349.475 1.077 20 0 EDADMP CCC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000903717923 592280612 /nfs/dbraw/zinc/28/06/12/592280612.db2.gz FWDUCZSFUGMUJL-LSDHHAIUSA-N 2 1 330.494 1.044 20 0 EDADMP CCC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000903717923 592280613 /nfs/dbraw/zinc/28/06/13/592280613.db2.gz FWDUCZSFUGMUJL-LSDHHAIUSA-N 2 1 330.494 1.044 20 0 EDADMP CC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C[C@H]1COc2ccccc2O1 ZINC000903717441 592280689 /nfs/dbraw/zinc/28/06/89/592280689.db2.gz AKJSZTOCAVAART-TXPKVOOTSA-N 2 1 332.444 1.917 20 0 EDADMP Cc1ccc(C(=O)N2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903723223 592283703 /nfs/dbraw/zinc/28/37/03/592283703.db2.gz FZCXJATWRVODPM-QUCCMNQESA-N 2 1 343.471 1.521 20 0 EDADMP COc1ccc([C@H](CO)[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903728917 592285724 /nfs/dbraw/zinc/28/57/24/592285724.db2.gz HMPUEUIPEUUELO-MSOLQXFVSA-N 2 1 334.460 1.819 20 0 EDADMP Cc1nc(CN2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cs1 ZINC000903738157 592300837 /nfs/dbraw/zinc/30/08/37/592300837.db2.gz YTAWGPGXQGMHBR-SJORKVTESA-N 2 1 336.505 1.338 20 0 EDADMP CCOCCN1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]1CC ZINC000903740204 592303035 /nfs/dbraw/zinc/30/30/35/592303035.db2.gz SZHGERPWLMNHBK-OKZBNKHCSA-N 2 1 325.497 1.188 20 0 EDADMP CCOCC[N@@H+]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]1CC ZINC000903740204 592303038 /nfs/dbraw/zinc/30/30/38/592303038.db2.gz SZHGERPWLMNHBK-OKZBNKHCSA-N 2 1 325.497 1.188 20 0 EDADMP CCOCC[N@H+]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]1CC ZINC000903740204 592303044 /nfs/dbraw/zinc/30/30/44/592303044.db2.gz SZHGERPWLMNHBK-OKZBNKHCSA-N 2 1 325.497 1.188 20 0 EDADMP CCC[C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC[N@H+]1CCOC ZINC000903756359 592313580 /nfs/dbraw/zinc/31/35/80/592313580.db2.gz QLOOSKUKOHVLCR-SQNIBIBYSA-N 2 1 325.497 1.188 20 0 EDADMP CCC[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1CCOC ZINC000903756359 592313584 /nfs/dbraw/zinc/31/35/84/592313584.db2.gz QLOOSKUKOHVLCR-SQNIBIBYSA-N 2 1 325.497 1.188 20 0 EDADMP CCC[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1CCOC ZINC000903756359 592313588 /nfs/dbraw/zinc/31/35/88/592313588.db2.gz QLOOSKUKOHVLCR-SQNIBIBYSA-N 2 1 325.497 1.188 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](C[C@H]3CCC[C@@H](C(F)(F)F)O3)C2)nn1 ZINC000903778367 592318874 /nfs/dbraw/zinc/31/88/74/592318874.db2.gz LXKRIJQVCPPJGD-UPJWGTAASA-N 2 1 333.358 1.484 20 0 EDADMP COC(=O)c1ccc(C[N@@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903887071 592364774 /nfs/dbraw/zinc/36/47/74/592364774.db2.gz YILNZZDVYFHVRA-MRXNPFEDSA-N 2 1 344.459 1.765 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@@H](Oc3ccccn3)C2)cnn1C ZINC000903897674 592367141 /nfs/dbraw/zinc/36/71/41/592367141.db2.gz IHSVBUIROZDSLM-DOTOQJQBSA-N 2 1 329.448 1.394 20 0 EDADMP CC[C@H](O)C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903897920 592368532 /nfs/dbraw/zinc/36/85/32/592368532.db2.gz KOQXQIYRBWQVEY-HKUYNNGSSA-N 2 1 343.475 1.976 20 0 EDADMP CC[C@H](O)C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903897920 592368539 /nfs/dbraw/zinc/36/85/39/592368539.db2.gz KOQXQIYRBWQVEY-HKUYNNGSSA-N 2 1 343.475 1.976 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903909600 592375009 /nfs/dbraw/zinc/37/50/09/592375009.db2.gz GGTPNDUQHSLZOL-IRXDYDNUSA-N 2 1 332.496 1.366 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000908202080 592379450 /nfs/dbraw/zinc/37/94/50/592379450.db2.gz IFEWPQOGSGVXLK-ZWKOTPCHSA-N 2 1 331.460 1.081 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903931829 592383603 /nfs/dbraw/zinc/38/36/03/592383603.db2.gz JAIHPBJJWNWYHD-ATLSCFEFSA-N 3 1 348.495 1.063 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903931829 592383609 /nfs/dbraw/zinc/38/36/09/592383609.db2.gz JAIHPBJJWNWYHD-ATLSCFEFSA-N 2 1 348.495 1.063 20 0 EDADMP COC(=O)CC[C@@H]1CCC[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903937038 592387212 /nfs/dbraw/zinc/38/72/12/592387212.db2.gz AHXOFBZIYSGMTO-HOTGVXAUSA-N 2 1 336.480 1.511 20 0 EDADMP Cc1cc([C@H]2CCC[N@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)[nH]n1 ZINC000903917418 592389094 /nfs/dbraw/zinc/38/90/94/592389094.db2.gz LTHSHGGGTFAYMW-HOTGVXAUSA-N 2 1 330.480 1.757 20 0 EDADMP Cc1cc([C@H]2CCC[N@@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n[nH]1 ZINC000903917418 592389099 /nfs/dbraw/zinc/38/90/99/592389099.db2.gz LTHSHGGGTFAYMW-HOTGVXAUSA-N 2 1 330.480 1.757 20 0 EDADMP Cc1cc([C@H]2CCC[N@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n[nH]1 ZINC000903917418 592389119 /nfs/dbraw/zinc/38/91/19/592389119.db2.gz LTHSHGGGTFAYMW-HOTGVXAUSA-N 2 1 330.480 1.757 20 0 EDADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C[C@@H]1OCCc2sccc21 ZINC000903947561 592393786 /nfs/dbraw/zinc/39/37/86/592393786.db2.gz AWQOFSJWHYOSJD-ZFWWWQNUSA-N 2 1 337.489 1.491 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1c(C)nn(C)c1Cl)C2 ZINC000903978638 592399611 /nfs/dbraw/zinc/39/96/11/592399611.db2.gz IZICWBKWZFVGDL-RWSFTLGLSA-N 2 1 326.828 1.094 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCS[C@H](C(F)(F)F)C2)C1 ZINC000903986177 592404834 /nfs/dbraw/zinc/40/48/34/592404834.db2.gz HHESIJOHLDYHOF-MNOVXSKESA-N 2 1 325.400 1.163 20 0 EDADMP Cc1nc(CC2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)no1 ZINC000903988136 592406126 /nfs/dbraw/zinc/40/61/26/592406126.db2.gz OBARIEYHECUYPS-OAHLLOKOSA-N 2 1 345.451 1.349 20 0 EDADMP OCC1(C[C@@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000905109780 592410718 /nfs/dbraw/zinc/41/07/18/592410718.db2.gz IPZNSSJSGSXQIH-QZTJIDSGSA-N 2 1 340.508 1.523 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000907027266 592484996 /nfs/dbraw/zinc/48/49/96/592484996.db2.gz DQKOLCQWIKHADI-RCCFBDPRSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000907027266 592484998 /nfs/dbraw/zinc/48/49/98/592484998.db2.gz DQKOLCQWIKHADI-RCCFBDPRSA-N 2 1 337.508 1.868 20 0 EDADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905365616 592516364 /nfs/dbraw/zinc/51/63/64/592516364.db2.gz CDHSYTPRRGOIRW-MSOLQXFVSA-N 2 1 334.460 1.009 20 0 EDADMP CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000905496382 592553643 /nfs/dbraw/zinc/55/36/43/592553643.db2.gz SIFFGWKUSAKWPK-DUQPFJRNSA-N 2 1 328.497 1.233 20 0 EDADMP COc1ccc(-c2ccnc(NCC[NH+]3CCC([NH3+])CC3)n2)cc1 ZINC000905707600 592618026 /nfs/dbraw/zinc/61/80/26/592618026.db2.gz VAESVNXZCWYNAE-UHFFFAOYSA-N 2 1 327.432 1.987 20 0 EDADMP [NH3+]C1CC[NH+](CCNc2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000905707406 592618303 /nfs/dbraw/zinc/61/83/03/592618303.db2.gz YLKMCZNUXYZREL-UHFFFAOYSA-N 2 1 337.431 1.626 20 0 EDADMP OCCc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000905697492 592627072 /nfs/dbraw/zinc/62/70/72/592627072.db2.gz TUTBXYTYMUFPSL-OAQYLSRUSA-N 2 1 340.467 1.948 20 0 EDADMP OCCc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000905697492 592627075 /nfs/dbraw/zinc/62/70/75/592627075.db2.gz TUTBXYTYMUFPSL-OAQYLSRUSA-N 2 1 340.467 1.948 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000906218438 592760589 /nfs/dbraw/zinc/76/05/89/592760589.db2.gz KSINFQRMRUBJQQ-YJLNNSPDSA-N 2 1 340.471 1.980 20 0 EDADMP CCCN(C(=O)C[NH+]1CCC[C@H](C(=O)OCC)C1)[C@@H]1CC[N@H+](C)C1 ZINC000911510645 592938069 /nfs/dbraw/zinc/93/80/69/592938069.db2.gz AFSOPGIBXUXNLE-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP CCCN(C(=O)C[NH+]1CCC[C@H](C(=O)OCC)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000911510645 592938070 /nfs/dbraw/zinc/93/80/70/592938070.db2.gz AFSOPGIBXUXNLE-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP CCCN(C(=O)C[N@@H+]1CCC[C@H](C(=O)OCC)C1)[C@@H]1CC[NH+](C)C1 ZINC000911510645 592938071 /nfs/dbraw/zinc/93/80/71/592938071.db2.gz AFSOPGIBXUXNLE-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP CCCN(C(=O)C[N@H+]1CCC[C@H](C(=O)OCC)C1)[C@@H]1CC[NH+](C)C1 ZINC000911510645 592938072 /nfs/dbraw/zinc/93/80/72/592938072.db2.gz AFSOPGIBXUXNLE-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000911740710 592994293 /nfs/dbraw/zinc/99/42/93/592994293.db2.gz OPOHHTNNNUCXMI-QPUJVOFHSA-N 2 1 330.226 1.311 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)[C@@H](CC)[N@@H+]2CCO[C@@H](CC)C2)CC1 ZINC000911863937 593024067 /nfs/dbraw/zinc/02/40/67/593024067.db2.gz LCLUBQZAFNFUAM-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)[C@@H](CC)[N@H+]2CCO[C@@H](CC)C2)CC1 ZINC000911863937 593024069 /nfs/dbraw/zinc/02/40/69/593024069.db2.gz LCLUBQZAFNFUAM-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911948107 593037884 /nfs/dbraw/zinc/03/78/84/593037884.db2.gz OZCPOBBWNJGOKB-UHFFFAOYSA-N 2 1 333.476 1.076 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)CC1 ZINC000912029877 593050085 /nfs/dbraw/zinc/05/00/85/593050085.db2.gz CFSWCKDCUCSSAI-QGZVFWFLSA-N 2 1 338.540 1.591 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834298 593510462 /nfs/dbraw/zinc/51/04/62/593510462.db2.gz BQJXBIPEKNSQEC-JKSUJKDBSA-N 2 1 341.496 1.678 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834298 593510463 /nfs/dbraw/zinc/51/04/63/593510463.db2.gz BQJXBIPEKNSQEC-JKSUJKDBSA-N 2 1 341.496 1.678 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@H](O)c2c(F)cccc2F)C1 ZINC000819004471 593733561 /nfs/dbraw/zinc/73/35/61/593733561.db2.gz PBKDMOQQWHJXNW-DOMZBBRYSA-N 2 1 341.402 1.175 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000819004471 593733562 /nfs/dbraw/zinc/73/35/62/593733562.db2.gz PBKDMOQQWHJXNW-DOMZBBRYSA-N 2 1 341.402 1.175 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000819004471 593733563 /nfs/dbraw/zinc/73/35/63/593733563.db2.gz PBKDMOQQWHJXNW-DOMZBBRYSA-N 2 1 341.402 1.175 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000819132327 593740624 /nfs/dbraw/zinc/74/06/24/593740624.db2.gz AUOWBALETFGBTH-ZMSDIMECSA-N 2 1 340.489 1.586 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)c2ccccc2Cl)CC1(C)C ZINC000819287188 593748488 /nfs/dbraw/zinc/74/84/88/593748488.db2.gz MYPGHWQJOCKOBG-INIZCTEOSA-N 2 1 325.884 1.989 20 0 EDADMP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821626861 593888327 /nfs/dbraw/zinc/88/83/27/593888327.db2.gz BWBQFBNIPNBXKC-UHFFFAOYSA-N 2 1 347.442 1.123 20 0 EDADMP C[NH+](C)C1CCN(c2ccc(NC(=O)C[NH+]3CCCC3)nc2)CC1 ZINC000820979242 593934781 /nfs/dbraw/zinc/93/47/81/593934781.db2.gz MKAHIZSBTYCSKD-UHFFFAOYSA-N 2 1 331.464 1.646 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821087461 593962437 /nfs/dbraw/zinc/96/24/37/593962437.db2.gz BKDXDVKSINHWME-WMLDXEAASA-N 2 1 344.463 1.564 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821087461 593962441 /nfs/dbraw/zinc/96/24/41/593962441.db2.gz BKDXDVKSINHWME-WMLDXEAASA-N 2 1 344.463 1.564 20 0 EDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821087461 593962443 /nfs/dbraw/zinc/96/24/43/593962443.db2.gz BKDXDVKSINHWME-WMLDXEAASA-N 2 1 344.463 1.564 20 0 EDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821087461 593962446 /nfs/dbraw/zinc/96/24/46/593962446.db2.gz BKDXDVKSINHWME-WMLDXEAASA-N 2 1 344.463 1.564 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@]12CCO[C@H]1CCCC2 ZINC000824826513 594080597 /nfs/dbraw/zinc/08/05/97/594080597.db2.gz KABXEEJOOYZCNE-XYJFISCASA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@]12CCO[C@H]1CCCC2 ZINC000824826513 594080599 /nfs/dbraw/zinc/08/05/99/594080599.db2.gz KABXEEJOOYZCNE-XYJFISCASA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)n(C)n1 ZINC000822951455 594127756 /nfs/dbraw/zinc/12/77/56/594127756.db2.gz AKEVPZNEYHWQBF-CYBMUJFWSA-N 2 1 341.887 1.562 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(-c2nn[nH]n2)cs1 ZINC000825848833 594261693 /nfs/dbraw/zinc/26/16/93/594261693.db2.gz GDSOUDKUEMMYEV-VHDGCEQUSA-N 2 1 348.476 1.612 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(-c2nn[nH]n2)cs1 ZINC000825848833 594261694 /nfs/dbraw/zinc/26/16/94/594261694.db2.gz GDSOUDKUEMMYEV-VHDGCEQUSA-N 2 1 348.476 1.612 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829221406 594583312 /nfs/dbraw/zinc/58/33/12/594583312.db2.gz JXXMQUZMSDBSKJ-UHFFFAOYSA-N 2 1 334.464 1.577 20 0 EDADMP CN1CC[NH+](C2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)CC1 ZINC000827449558 594673358 /nfs/dbraw/zinc/67/33/58/594673358.db2.gz FELQLCDOXHQVDN-LJQANCHMSA-N 2 1 344.503 1.528 20 0 EDADMP C[N@@H+]1CCC[C@]2(CCN(C(=S)NCCC[NH+]3CCOCC3)C2)C1 ZINC000840754858 594814944 /nfs/dbraw/zinc/81/49/44/594814944.db2.gz QGDNSAXMLFNTJY-KRWDZBQOSA-N 2 1 340.537 1.001 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=S)NCCC[NH+]3CCOCC3)C2)C1 ZINC000840754858 594814946 /nfs/dbraw/zinc/81/49/46/594814946.db2.gz QGDNSAXMLFNTJY-KRWDZBQOSA-N 2 1 340.537 1.001 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCc4ccccc4C3)C[C@@H]2C1 ZINC000841437300 594900192 /nfs/dbraw/zinc/90/01/92/594900192.db2.gz INJPQCFIDGQXFT-MOPGFXCFSA-N 2 1 327.472 1.845 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+]3CCc4ccccc4C3)C[C@@H]2C1 ZINC000841437300 594900195 /nfs/dbraw/zinc/90/01/95/594900195.db2.gz INJPQCFIDGQXFT-MOPGFXCFSA-N 2 1 327.472 1.845 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+]3CCc4ccccc4C3)C[C@@H]2C1 ZINC000841437300 594900197 /nfs/dbraw/zinc/90/01/97/594900197.db2.gz INJPQCFIDGQXFT-MOPGFXCFSA-N 2 1 327.472 1.845 20 0 EDADMP [NH3+]CCc1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000841930975 594984413 /nfs/dbraw/zinc/98/44/13/594984413.db2.gz GNTJIWHVIBQAOK-SFHVURJKSA-N 2 1 346.475 1.194 20 0 EDADMP Cc1cc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cn2ccnc12 ZINC000836689879 594988366 /nfs/dbraw/zinc/98/83/66/594988366.db2.gz KXRMTDMLJUJBFG-GJZGRUSLSA-N 2 1 329.404 1.627 20 0 EDADMP Cc1cc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cn2cc[nH+]c12 ZINC000836689879 594988368 /nfs/dbraw/zinc/98/83/68/594988368.db2.gz KXRMTDMLJUJBFG-GJZGRUSLSA-N 2 1 329.404 1.627 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)CC[N@H+]1C ZINC000843332368 595077358 /nfs/dbraw/zinc/07/73/58/595077358.db2.gz ROWPLBNVIVKGRT-UKRRQHHQSA-N 2 1 345.443 1.874 20 0 EDADMP COc1ccc2c(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc(=O)oc2c1 ZINC000842475208 595114528 /nfs/dbraw/zinc/11/45/28/595114528.db2.gz MOEALVYKCNWYKB-OAHLLOKOSA-N 2 1 343.427 1.281 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C)C2 ZINC000843111934 595289308 /nfs/dbraw/zinc/28/93/08/595289308.db2.gz JQDOAIMLHZJAHL-DNVCBOLYSA-N 2 1 329.444 1.673 20 0 EDADMP CN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844174242 595291918 /nfs/dbraw/zinc/29/19/18/595291918.db2.gz SCOWGBCBKYPABD-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000847311532 595393914 /nfs/dbraw/zinc/39/39/14/595393914.db2.gz GNQAQLZAEKRCEG-VQHPVUNQSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847311532 595393916 /nfs/dbraw/zinc/39/39/16/595393916.db2.gz GNQAQLZAEKRCEG-VQHPVUNQSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847311532 595393919 /nfs/dbraw/zinc/39/39/19/595393919.db2.gz GNQAQLZAEKRCEG-VQHPVUNQSA-N 2 1 336.480 1.166 20 0 EDADMP COc1ccccc1[C@@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848524818 595402542 /nfs/dbraw/zinc/40/25/42/595402542.db2.gz XLYWMGIKVFSMCZ-WMZOPIPTSA-N 2 1 334.460 1.962 20 0 EDADMP OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848535517 595403719 /nfs/dbraw/zinc/40/37/19/595403719.db2.gz DEIRWUUDSZYCOU-SLFFLAALSA-N 2 1 348.487 1.704 20 0 EDADMP C[N@@H+](CCOc1cccc(CNC(=[NH2+])NC2CC2)c1)C1CCOCC1 ZINC000849029927 595475423 /nfs/dbraw/zinc/47/54/23/595475423.db2.gz XKYAACXOBGHEQU-UHFFFAOYSA-N 2 1 346.475 1.953 20 0 EDADMP CC(C)[C@@H]1C[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCO1 ZINC000849115511 595484309 /nfs/dbraw/zinc/48/43/09/595484309.db2.gz WZEODCXHIPCJFE-CVEARBPZSA-N 2 1 326.485 1.274 20 0 EDADMP [NH3+]C[C@@H]1CCCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000852794221 595546458 /nfs/dbraw/zinc/54/64/58/595546458.db2.gz MXGVWSLSFRRVHW-QMMMGPOBSA-N 2 1 344.278 1.925 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849481047 595546889 /nfs/dbraw/zinc/54/68/89/595546889.db2.gz JBFXACOMLMDEDV-ZWKOTPCHSA-N 2 1 347.507 1.398 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849481047 595546893 /nfs/dbraw/zinc/54/68/93/595546893.db2.gz JBFXACOMLMDEDV-ZWKOTPCHSA-N 2 1 347.507 1.398 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849541266 595560714 /nfs/dbraw/zinc/56/07/14/595560714.db2.gz MOKMLDZACWLBKN-KBAYOESNSA-N 2 1 349.523 1.690 20 0 EDADMP [NH3+][C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1Br ZINC000852833021 595565554 /nfs/dbraw/zinc/56/55/54/595565554.db2.gz SUSCFCUFOJPQQP-GHMZBOCLSA-N 2 1 348.191 1.562 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849561874 595569129 /nfs/dbraw/zinc/56/91/29/595569129.db2.gz LOSLOIMVDGHVDE-QCSYZSNVSA-N 2 1 345.491 1.054 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849561874 595569133 /nfs/dbraw/zinc/56/91/33/595569133.db2.gz LOSLOIMVDGHVDE-QCSYZSNVSA-N 2 1 345.491 1.054 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849561874 595569138 /nfs/dbraw/zinc/56/91/38/595569138.db2.gz LOSLOIMVDGHVDE-QCSYZSNVSA-N 2 1 345.491 1.054 20 0 EDADMP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849571768 595574890 /nfs/dbraw/zinc/57/48/90/595574890.db2.gz IHWNWVJTQYLIJU-HZPDHXFCSA-N 2 1 342.447 1.555 20 0 EDADMP CC[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000852858874 595581061 /nfs/dbraw/zinc/58/10/61/595581061.db2.gz JTCKBDXGQRMAGV-JKSUJKDBSA-N 2 1 330.432 1.043 20 0 EDADMP [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)=NO1 ZINC000852861745 595583150 /nfs/dbraw/zinc/58/31/50/595583150.db2.gz IIKAZBGLCZKIDS-JKSUJKDBSA-N 2 1 330.432 1.118 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NC(C)(C)C[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849599588 595588340 /nfs/dbraw/zinc/58/83/40/595588340.db2.gz CRRQXARQGCKZBY-DLBZAZTESA-N 2 1 349.523 1.690 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852895105 595602681 /nfs/dbraw/zinc/60/26/81/595602681.db2.gz XEKFFBJEBVKDMZ-HOCLYGCPSA-N 2 1 336.480 1.593 20 0 EDADMP C[NH+]1CCC(C[NH2+][C@H]2CCCc3c[nH]nc32)(N2CCOCC2)CC1 ZINC000857868808 595637281 /nfs/dbraw/zinc/63/72/81/595637281.db2.gz CZQJVTPBAWXRNA-INIZCTEOSA-N 2 1 333.480 1.173 20 0 EDADMP C[NH+]1CCC(CNC(=S)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000853054589 595650915 /nfs/dbraw/zinc/65/09/15/595650915.db2.gz PXQNVLQUGYZWCX-QGZVFWFLSA-N 2 1 338.565 1.914 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H](O)c1cccc(F)c1 ZINC000855346288 595680488 /nfs/dbraw/zinc/68/04/88/595680488.db2.gz VJOBKINRWCGGOB-YOEHRIQHSA-N 2 1 339.455 1.637 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H](O)c1cccc(F)c1 ZINC000855346288 595680491 /nfs/dbraw/zinc/68/04/91/595680491.db2.gz VJOBKINRWCGGOB-YOEHRIQHSA-N 2 1 339.455 1.637 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)[C@H]2COCC23OCCO3)CC1(C)C ZINC000858178597 595721673 /nfs/dbraw/zinc/72/16/73/595721673.db2.gz YVOQDKPHYUKEHK-HUUCEWRRSA-N 2 1 326.481 1.865 20 0 EDADMP [NH3+]CCCCCCNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000851668235 595877228 /nfs/dbraw/zinc/87/72/28/595877228.db2.gz SUAJTDHJONQKNG-GOSISDBHSA-N 2 1 348.491 1.572 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3COC(C)(C)O3)CC2)CC1 ZINC000851842015 595944134 /nfs/dbraw/zinc/94/41/34/595944134.db2.gz OMQJUBVOMZFJOS-INIZCTEOSA-N 2 1 339.480 1.014 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000851865312 595954201 /nfs/dbraw/zinc/95/42/01/595954201.db2.gz UAEYVBOZOWHNMW-XHSDSOJGSA-N 2 1 343.512 1.923 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000851865312 595954204 /nfs/dbraw/zinc/95/42/04/595954204.db2.gz UAEYVBOZOWHNMW-XHSDSOJGSA-N 2 1 343.512 1.923 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000851865312 595954207 /nfs/dbraw/zinc/95/42/07/595954207.db2.gz UAEYVBOZOWHNMW-XHSDSOJGSA-N 2 1 343.512 1.923 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000851865312 595954208 /nfs/dbraw/zinc/95/42/08/595954208.db2.gz UAEYVBOZOWHNMW-XHSDSOJGSA-N 2 1 343.512 1.923 20 0 EDADMP CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000851956705 595985840 /nfs/dbraw/zinc/98/58/40/595985840.db2.gz ZVYXHIMMNJFGMB-GOEBONIOSA-N 2 1 329.485 1.534 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCN3CCOCC3)C2)ccn1 ZINC000856591554 596024708 /nfs/dbraw/zinc/02/47/08/596024708.db2.gz NSQPJWLLMKTIHH-LJQANCHMSA-N 2 1 348.491 1.319 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCN3CCOCC3)C2)ccn1 ZINC000856591554 596024713 /nfs/dbraw/zinc/02/47/13/596024713.db2.gz NSQPJWLLMKTIHH-LJQANCHMSA-N 2 1 348.491 1.319 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)ccn1 ZINC000856591554 596024717 /nfs/dbraw/zinc/02/47/17/596024717.db2.gz NSQPJWLLMKTIHH-LJQANCHMSA-N 2 1 348.491 1.319 20 0 EDADMP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000861548165 596025196 /nfs/dbraw/zinc/02/51/96/596025196.db2.gz MKFYRNLWQJSQDJ-ZIAGYGMSSA-N 2 1 339.509 1.025 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](O)CSC)C2)ccn1 ZINC000856587167 596025719 /nfs/dbraw/zinc/02/57/19/596025719.db2.gz WSELGAWLXYXDFW-RDJZCZTQSA-N 2 1 339.505 1.710 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H](O)CSC)C2)ccn1 ZINC000856587167 596025722 /nfs/dbraw/zinc/02/57/22/596025722.db2.gz WSELGAWLXYXDFW-RDJZCZTQSA-N 2 1 339.505 1.710 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H](O)CSC)C2)ccn1 ZINC000856587167 596025725 /nfs/dbraw/zinc/02/57/25/596025725.db2.gz WSELGAWLXYXDFW-RDJZCZTQSA-N 2 1 339.505 1.710 20 0 EDADMP CCCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597202 596028240 /nfs/dbraw/zinc/02/82/40/596028240.db2.gz FPVHVQGAVVWTEB-GOSISDBHSA-N 2 1 348.491 1.901 20 0 EDADMP CCCNC(=O)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597202 596028243 /nfs/dbraw/zinc/02/82/43/596028243.db2.gz FPVHVQGAVVWTEB-GOSISDBHSA-N 2 1 348.491 1.901 20 0 EDADMP CCCNC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597202 596028248 /nfs/dbraw/zinc/02/82/48/596028248.db2.gz FPVHVQGAVVWTEB-GOSISDBHSA-N 2 1 348.491 1.901 20 0 EDADMP CCCNC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597202 596028251 /nfs/dbraw/zinc/02/82/51/596028251.db2.gz FPVHVQGAVVWTEB-GOSISDBHSA-N 2 1 348.491 1.901 20 0 EDADMP COC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856599645 596030267 /nfs/dbraw/zinc/03/02/67/596030267.db2.gz MFQVVKIQNHPMIP-WMZOPIPTSA-N 2 1 337.464 1.382 20 0 EDADMP COC[C@@H](O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856599645 596030272 /nfs/dbraw/zinc/03/02/72/596030272.db2.gz MFQVVKIQNHPMIP-WMZOPIPTSA-N 2 1 337.464 1.382 20 0 EDADMP COC[C@@H](O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856599645 596030275 /nfs/dbraw/zinc/03/02/75/596030275.db2.gz MFQVVKIQNHPMIP-WMZOPIPTSA-N 2 1 337.464 1.382 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000861565122 596031085 /nfs/dbraw/zinc/03/10/85/596031085.db2.gz QFNGKVNUEREVIT-LSDHHAIUSA-N 2 1 334.464 1.396 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000861565122 596031088 /nfs/dbraw/zinc/03/10/88/596031088.db2.gz QFNGKVNUEREVIT-LSDHHAIUSA-N 2 1 334.464 1.396 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)N(C)C[C@H](C)[NH3+])CC2)oc1C ZINC000861575051 596033757 /nfs/dbraw/zinc/03/37/57/596033757.db2.gz HEMOUTZOMJKGNX-LBPRGKRZSA-N 2 1 337.468 1.492 20 0 EDADMP CCCCCC[C@@](O)(C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(=O)OC ZINC000852078054 596036069 /nfs/dbraw/zinc/03/60/69/596036069.db2.gz JTAJWPCVDLSROZ-QZTJIDSGSA-N 2 1 326.481 1.889 20 0 EDADMP CCCCCC[C@@](O)(C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)C(=O)OC ZINC000852078054 596036073 /nfs/dbraw/zinc/03/60/73/596036073.db2.gz JTAJWPCVDLSROZ-QZTJIDSGSA-N 2 1 326.481 1.889 20 0 EDADMP CCCCCC[C@@](O)(C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)C(=O)OC ZINC000852078054 596036076 /nfs/dbraw/zinc/03/60/76/596036076.db2.gz JTAJWPCVDLSROZ-QZTJIDSGSA-N 2 1 326.481 1.889 20 0 EDADMP Cc1[nH]c(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c(C)c1C=O ZINC000859358947 596064405 /nfs/dbraw/zinc/06/44/05/596064405.db2.gz MYACIRRZTVCRDA-UHFFFAOYSA-N 2 1 334.464 1.542 20 0 EDADMP Cc1[nH]c(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c(C)c1C=O ZINC000859358947 596064409 /nfs/dbraw/zinc/06/44/09/596064409.db2.gz MYACIRRZTVCRDA-UHFFFAOYSA-N 2 1 334.464 1.542 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)NCC[C@H](C)[NH3+])CC2)cc1 ZINC000857113923 596160277 /nfs/dbraw/zinc/16/02/77/596160277.db2.gz KCZFQWUJDYBKQY-HNNXBMFYSA-N 2 1 334.464 1.650 20 0 EDADMP C[C@H]1CN(C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)CC[N@@H+]1CCO ZINC000857185681 596179855 /nfs/dbraw/zinc/17/98/55/596179855.db2.gz DXWAPEJNSZULIW-QFBILLFUSA-N 2 1 345.487 1.634 20 0 EDADMP C[C@H]1CN(C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)CC[N@H+]1CCO ZINC000857185681 596179859 /nfs/dbraw/zinc/17/98/59/596179859.db2.gz DXWAPEJNSZULIW-QFBILLFUSA-N 2 1 345.487 1.634 20 0 EDADMP C[C@H]1CN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC[NH+]1CCO ZINC000857185681 596179861 /nfs/dbraw/zinc/17/98/61/596179861.db2.gz DXWAPEJNSZULIW-QFBILLFUSA-N 2 1 345.487 1.634 20 0 EDADMP C[C@H]1CN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC[NH+]1CCO ZINC000857185681 596179863 /nfs/dbraw/zinc/17/98/63/596179863.db2.gz DXWAPEJNSZULIW-QFBILLFUSA-N 2 1 345.487 1.634 20 0 EDADMP Cc1cc(=O)n2nc(C[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)sc2n1 ZINC000866704261 596301069 /nfs/dbraw/zinc/30/10/69/596301069.db2.gz NEXDWCOHBXIBNJ-INIZCTEOSA-N 2 1 335.477 1.656 20 0 EDADMP Cc1cc(=O)n2nc(C[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)sc2n1 ZINC000866704261 596301072 /nfs/dbraw/zinc/30/10/72/596301072.db2.gz NEXDWCOHBXIBNJ-INIZCTEOSA-N 2 1 335.477 1.656 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000866711512 596305171 /nfs/dbraw/zinc/30/51/71/596305171.db2.gz LWXSMUJCRXTWED-IXDOHACOSA-N 2 1 337.464 1.450 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000866712265 596305346 /nfs/dbraw/zinc/30/53/46/596305346.db2.gz SBMBPJJQEQXMLL-WCXIOVBPSA-N 2 1 337.464 1.449 20 0 EDADMP COc1ccc(CN2CCCN(C(=O)[C@@H](O)c3cnc[nH]3)CC2)cc1 ZINC000864703694 596313569 /nfs/dbraw/zinc/31/35/69/596313569.db2.gz WQOGQJILWRJLDT-KRWDZBQOSA-N 2 1 344.415 1.186 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[NH+]1CCOCC1 ZINC000870860980 596379717 /nfs/dbraw/zinc/37/97/17/596379717.db2.gz WVUKAWDFDAYWKZ-BBWFWOEESA-N 2 1 325.497 1.757 20 0 EDADMP Cc1cc(N2CCC(NC(=O)CC[NH2+]CC3CC3)CC2)nc(C)[nH+]1 ZINC000870900656 596396005 /nfs/dbraw/zinc/39/60/05/596396005.db2.gz SRVWHEDKNHGVKP-UHFFFAOYSA-N 2 1 331.464 1.568 20 0 EDADMP COCC[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865456662 596581052 /nfs/dbraw/zinc/58/10/52/596581052.db2.gz PKEDVESJYNYXGX-GJZGRUSLSA-N 2 1 329.485 1.848 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000869778051 596630245 /nfs/dbraw/zinc/63/02/45/596630245.db2.gz VJZJIZOVJBUXTP-SUMWQHHRSA-N 2 1 329.460 1.160 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000869778051 596630249 /nfs/dbraw/zinc/63/02/49/596630249.db2.gz VJZJIZOVJBUXTP-SUMWQHHRSA-N 2 1 329.460 1.160 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000869778051 596630253 /nfs/dbraw/zinc/63/02/53/596630253.db2.gz VJZJIZOVJBUXTP-SUMWQHHRSA-N 2 1 329.460 1.160 20 0 EDADMP O=C1NCCN1Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000865815887 596694624 /nfs/dbraw/zinc/69/46/24/596694624.db2.gz PQJOAAABHNTIFU-ZWKOTPCHSA-N 2 1 328.460 1.928 20 0 EDADMP CC(C)S(=O)(=O)CCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784910 596700026 /nfs/dbraw/zinc/70/00/26/596700026.db2.gz ACLLIXUMLHEEBH-AGUYFDCRSA-N 2 1 331.482 1.571 20 0 EDADMP CC(C)S(=O)(=O)CCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784910 596700028 /nfs/dbraw/zinc/70/00/28/596700028.db2.gz ACLLIXUMLHEEBH-AGUYFDCRSA-N 2 1 331.482 1.571 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868225283 596734983 /nfs/dbraw/zinc/73/49/83/596734983.db2.gz QBIVZYHHXASDJM-XOKHGSTOSA-N 2 1 344.459 1.430 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)cn2cc[nH+]c12 ZINC000868268435 596755671 /nfs/dbraw/zinc/75/56/71/596755671.db2.gz GSUZHCABCWMXLN-CYBMUJFWSA-N 2 1 343.431 1.476 20 0 EDADMP C[N@@H+](CCCCCC[NH3+])CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000872154841 596815896 /nfs/dbraw/zinc/81/58/96/596815896.db2.gz BYSRYXSMXCLJKN-HNNXBMFYSA-N 2 1 335.448 1.394 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+])c1 ZINC000872155652 596815968 /nfs/dbraw/zinc/81/59/68/596815968.db2.gz XPQAASREPADWTF-AWEZNQCLSA-N 2 1 334.464 1.824 20 0 EDADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)c1nc(N)[nH+]c(N)n1 ZINC000866289851 596848746 /nfs/dbraw/zinc/84/87/46/596848746.db2.gz MSUOCCIEVIHDFN-CQSZACIVSA-N 2 1 327.436 1.527 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000875712502 596956274 /nfs/dbraw/zinc/95/62/74/596956274.db2.gz FLTSNCBBSKIEQH-YVSFHVDLSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000875712502 596956277 /nfs/dbraw/zinc/95/62/77/596956277.db2.gz FLTSNCBBSKIEQH-YVSFHVDLSA-N 2 1 340.512 1.515 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@@H]3CSC[C@H]3C1)C[NH+]1CCC2CC1 ZINC000872720467 597044784 /nfs/dbraw/zinc/04/47/84/597044784.db2.gz QHCQSKMOHLDQMG-CKEIUWERSA-N 2 1 337.489 1.545 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CC[C@@H]3CSC[C@H]3C1)C[NH+]1CCC2CC1 ZINC000872720467 597044787 /nfs/dbraw/zinc/04/47/87/597044787.db2.gz QHCQSKMOHLDQMG-CKEIUWERSA-N 2 1 337.489 1.545 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874831487 597189607 /nfs/dbraw/zinc/18/96/07/597189607.db2.gz YLBKHYCMWKOXKQ-HUUCEWRRSA-N 2 1 342.447 1.531 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874831487 597189611 /nfs/dbraw/zinc/18/96/11/597189611.db2.gz YLBKHYCMWKOXKQ-HUUCEWRRSA-N 2 1 342.447 1.531 20 0 EDADMP C[NH+]1CCC2(CCN(C(=O)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC000874981768 597230060 /nfs/dbraw/zinc/23/00/60/597230060.db2.gz SUHPTCIABDHPKX-UHFFFAOYSA-N 2 1 338.496 1.226 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@]3(CCc4ccccc43)C2)C1 ZINC000873226976 597234077 /nfs/dbraw/zinc/23/40/77/597234077.db2.gz FIVJRIONEOWQRQ-UZLBHIALSA-N 2 1 327.472 1.774 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000875075395 597272243 /nfs/dbraw/zinc/27/22/43/597272243.db2.gz ZOWPSQSCYLYPSC-CABCVRRESA-N 2 1 326.485 1.005 20 0 EDADMP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000876712045 597299760 /nfs/dbraw/zinc/29/97/60/597299760.db2.gz LIWBXIHZCAEJIS-IBGZPJMESA-N 2 1 340.471 1.373 20 0 EDADMP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1(F)F ZINC000876714869 597301157 /nfs/dbraw/zinc/30/11/57/597301157.db2.gz DNDXMFFIHWOMJK-HUUCEWRRSA-N 2 1 341.377 1.700 20 0 EDADMP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1(F)F ZINC000876714869 597301159 /nfs/dbraw/zinc/30/11/59/597301159.db2.gz DNDXMFFIHWOMJK-HUUCEWRRSA-N 2 1 341.377 1.700 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000876755654 597323872 /nfs/dbraw/zinc/32/38/72/597323872.db2.gz WFFIPRMRVQXIEE-HZPDHXFCSA-N 2 1 331.464 1.330 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H](C)C1 ZINC000876763233 597328620 /nfs/dbraw/zinc/32/86/20/597328620.db2.gz DHSAFWBOIFTUFJ-XUXIUFHCSA-N 2 1 333.423 1.080 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)C1 ZINC000876774916 597335486 /nfs/dbraw/zinc/33/54/86/597335486.db2.gz KCCIDWVGIUMFTF-HOTGVXAUSA-N 2 1 333.480 1.530 20 0 EDADMP Cc1cc(N2CCC(NC(=O)/C=C/[C@H]3CCC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000876775963 597335741 /nfs/dbraw/zinc/33/57/41/597335741.db2.gz HXMGRRDDMRNNEK-SQRWCISFSA-N 2 1 343.475 1.734 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000876899940 597377428 /nfs/dbraw/zinc/37/74/28/597377428.db2.gz BKBLDYQGADBNMV-BBWFWOEESA-N 2 1 345.491 1.672 20 0 EDADMP [NH3+]C1(CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000876921297 597385817 /nfs/dbraw/zinc/38/58/17/597385817.db2.gz ASMFTWTWEWABJR-DLBZAZTESA-N 2 1 348.466 1.044 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000877030366 597416525 /nfs/dbraw/zinc/41/65/25/597416525.db2.gz FBRREHUJQXQWJR-HLLBOEOZSA-N 2 1 345.443 1.410 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000877229162 597469298 /nfs/dbraw/zinc/46/92/98/597469298.db2.gz IELCCPQWZKJKSF-GOSISDBHSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000877229162 597469300 /nfs/dbraw/zinc/46/93/00/597469300.db2.gz IELCCPQWZKJKSF-GOSISDBHSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877250291 597479621 /nfs/dbraw/zinc/47/96/21/597479621.db2.gz OOQQFSBWHJTDBW-ARFHVFGLSA-N 2 1 331.464 1.282 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000877403098 597510608 /nfs/dbraw/zinc/51/06/08/597510608.db2.gz MZPBHJDWBNRRRI-QGZVFWFLSA-N 2 1 336.524 1.443 20 0 EDADMP CCOC(=O)c1cc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)on1 ZINC000877664781 597545961 /nfs/dbraw/zinc/54/59/61/597545961.db2.gz WMIYLBVQGDIHFN-UHFFFAOYSA-N 2 1 339.436 1.642 20 0 EDADMP C(C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877982449 597567835 /nfs/dbraw/zinc/56/78/35/597567835.db2.gz UBDVFSSIVMMADQ-QGFMHUBQSA-N 3 1 332.536 1.095 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](O)CC2(O)CCCC2)C1 ZINC000878158714 597582942 /nfs/dbraw/zinc/58/29/42/597582942.db2.gz LZKSZZDYSPOCRM-DLBZAZTESA-N 2 1 328.497 1.475 20 0 EDADMP Cn1nnnc1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000878197870 597586112 /nfs/dbraw/zinc/58/61/12/597586112.db2.gz RHRYXGDMCDEBBU-QZTJIDSGSA-N 2 1 340.475 1.739 20 0 EDADMP Cn1nnnc1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000878197870 597586113 /nfs/dbraw/zinc/58/61/13/597586113.db2.gz RHRYXGDMCDEBBU-QZTJIDSGSA-N 2 1 340.475 1.739 20 0 EDADMP Cn1nnnc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000878197870 597586114 /nfs/dbraw/zinc/58/61/14/597586114.db2.gz RHRYXGDMCDEBBU-QZTJIDSGSA-N 2 1 340.475 1.739 20 0 EDADMP Cn1nnnc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000878197870 597586115 /nfs/dbraw/zinc/58/61/15/597586115.db2.gz RHRYXGDMCDEBBU-QZTJIDSGSA-N 2 1 340.475 1.739 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H]1CC2(CO1)CCOCC2 ZINC000878316212 597595014 /nfs/dbraw/zinc/59/50/14/597595014.db2.gz CZVVBDPTSXMPMO-QGZVFWFLSA-N 2 1 325.497 1.141 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879578892 597640727 /nfs/dbraw/zinc/64/07/27/597640727.db2.gz IIAMLUTUEVNWIK-RBSFLKMASA-N 2 1 327.469 1.288 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879578892 597640729 /nfs/dbraw/zinc/64/07/29/597640729.db2.gz IIAMLUTUEVNWIK-RBSFLKMASA-N 2 1 327.469 1.288 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879578892 597640730 /nfs/dbraw/zinc/64/07/30/597640730.db2.gz IIAMLUTUEVNWIK-RBSFLKMASA-N 2 1 327.469 1.288 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879578892 597640732 /nfs/dbraw/zinc/64/07/32/597640732.db2.gz IIAMLUTUEVNWIK-RBSFLKMASA-N 2 1 327.469 1.288 20 0 EDADMP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1)C(C)C ZINC000879591073 597648533 /nfs/dbraw/zinc/64/85/33/597648533.db2.gz ITQLPEYUDURICM-QGZVFWFLSA-N 2 1 338.540 1.732 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](CC(=O)NC3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000878657334 597669135 /nfs/dbraw/zinc/66/91/35/597669135.db2.gz JRBFLUTZEYRATH-INIZCTEOSA-N 2 1 333.480 1.056 20 0 EDADMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)CC2(CO)CCCC2)CC1 ZINC000878670965 597674336 /nfs/dbraw/zinc/67/43/36/597674336.db2.gz VNMZBQXQCCFNJU-QGZVFWFLSA-N 2 1 342.524 1.363 20 0 EDADMP COC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000883191652 597682049 /nfs/dbraw/zinc/68/20/49/597682049.db2.gz GCYOHKWUUKFXSB-SLFFLAALSA-N 2 1 348.487 1.655 20 0 EDADMP COC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000883191652 597682051 /nfs/dbraw/zinc/68/20/51/597682051.db2.gz GCYOHKWUUKFXSB-SLFFLAALSA-N 2 1 348.487 1.655 20 0 EDADMP CC(C)C[N@H+](Cc1nnc2c(=O)n(C)ccn12)CC1CC[NH+](C)CC1 ZINC000879705287 597695793 /nfs/dbraw/zinc/69/57/93/597695793.db2.gz MLWOPLPXRPMULH-UHFFFAOYSA-N 2 1 346.479 1.228 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)C(C)C ZINC000883288445 597700417 /nfs/dbraw/zinc/70/04/17/597700417.db2.gz FKGUYPOLUBTNBW-UHFFFAOYSA-N 2 1 340.512 1.659 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1)[C@H]1CCC[NH2+]1 ZINC000883424604 597742054 /nfs/dbraw/zinc/74/20/54/597742054.db2.gz XQJVZZYSWRQNPK-GVDBMIGSSA-N 2 1 335.492 1.668 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(CCOCC2)O1 ZINC000883427269 597743472 /nfs/dbraw/zinc/74/34/72/597743472.db2.gz MTGPJRZFCKGJIM-CVEARBPZSA-N 2 1 339.480 1.034 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000883437108 597746327 /nfs/dbraw/zinc/74/63/27/597746327.db2.gz JPDXFCSPAFDUIO-CVEARBPZSA-N 2 1 347.463 1.022 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)CC2(CO)CCCC2)CCO1 ZINC000879001370 597781267 /nfs/dbraw/zinc/78/12/67/597781267.db2.gz VPXLFQJSQLYHKH-SJORKVTESA-N 2 1 328.497 1.333 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000883575531 597809346 /nfs/dbraw/zinc/80/93/46/597809346.db2.gz JHBKWAJPEXGFOE-GXTWGEPZSA-N 2 1 344.381 1.964 20 0 EDADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCC(=O)NC(N)=O)C2 ZINC000880020416 597811326 /nfs/dbraw/zinc/81/13/26/597811326.db2.gz JDRACGKIMSVLRW-MAUKXSAKSA-N 2 1 330.432 1.025 20 0 EDADMP C[C@]12C[NH+](CCC(=O)NC(N)=O)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880020416 597811328 /nfs/dbraw/zinc/81/13/28/597811328.db2.gz JDRACGKIMSVLRW-MAUKXSAKSA-N 2 1 330.432 1.025 20 0 EDADMP C[C@]12C[NH+](CCC(=O)NC(N)=O)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880020416 597811332 /nfs/dbraw/zinc/81/13/32/597811332.db2.gz JDRACGKIMSVLRW-MAUKXSAKSA-N 2 1 330.432 1.025 20 0 EDADMP COCC[N@@H+](CCC(=O)NC1CCCC1)CC1CC[NH+](C)CC1 ZINC000879125172 597826720 /nfs/dbraw/zinc/82/67/20/597826720.db2.gz RWTWZXPIHVLIBS-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2CCCON1C(=O)c2ccccc2C1=O ZINC000880142754 597854944 /nfs/dbraw/zinc/85/49/44/597854944.db2.gz UESIJMXBAXQFCM-IRXDYDNUSA-N 2 1 343.427 1.773 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879239845 597862057 /nfs/dbraw/zinc/86/20/57/597862057.db2.gz HTMYBGKFSXPXOO-QUCCMNQESA-N 2 1 345.487 1.785 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1)[NH+](C)C ZINC000883729438 597878492 /nfs/dbraw/zinc/87/84/92/597878492.db2.gz RLGAJXVPEVDFKU-HNNXBMFYSA-N 2 1 328.501 1.469 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000880250422 597882966 /nfs/dbraw/zinc/88/29/66/597882966.db2.gz JUXSBMHOIJDHOD-HKUYNNGSSA-N 2 1 335.492 1.304 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC000883801675 597907219 /nfs/dbraw/zinc/90/72/19/597907219.db2.gz ITJVGSYHOJNMRZ-QZTJIDSGSA-N 2 1 330.476 1.963 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000883801675 597907221 /nfs/dbraw/zinc/90/72/21/597907221.db2.gz ITJVGSYHOJNMRZ-QZTJIDSGSA-N 2 1 330.476 1.963 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)CC1 ZINC000879485623 597932467 /nfs/dbraw/zinc/93/24/67/597932467.db2.gz FVLUHWMDIUTLLA-GOSISDBHSA-N 2 1 336.524 1.378 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000883895198 597934698 /nfs/dbraw/zinc/93/46/98/597934698.db2.gz SSIYLQOIWFGCLY-CQSZACIVSA-N 2 1 333.436 1.016 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000883898567 597936669 /nfs/dbraw/zinc/93/66/69/597936669.db2.gz BRGFGBKTHFZZNP-KRWDZBQOSA-N 2 1 338.496 1.225 20 0 EDADMP CC1(C)[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000880492111 597945988 /nfs/dbraw/zinc/94/59/88/597945988.db2.gz MDJGLZRMGSBNNM-IAGOWNOFSA-N 2 1 335.492 1.476 20 0 EDADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884026394 597971775 /nfs/dbraw/zinc/97/17/75/597971775.db2.gz BTDKFMZMKYYOEY-AWEZNQCLSA-N 2 1 344.381 1.069 20 0 EDADMP CCC1([NH+]2CCC2)CCN(C(=O)NCC[N@@H+](C)CCCOC)CC1 ZINC000884172728 598014040 /nfs/dbraw/zinc/01/40/40/598014040.db2.gz CJPXIGZBRPXJKJ-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)c1ncoc1C[NH3+])c1cccc(OC)c1 ZINC000884181259 598017285 /nfs/dbraw/zinc/01/72/85/598017285.db2.gz ABLFBDNABHUTGR-OAHLLOKOSA-N 2 1 346.431 1.955 20 0 EDADMP CC[C@@H](CNC(=O)c1ncoc1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000884188874 598019752 /nfs/dbraw/zinc/01/97/52/598019752.db2.gz RCUNETYDDWUJPQ-HNNXBMFYSA-N 2 1 328.416 1.700 20 0 EDADMP CC[C@@H](CNC(=O)c1ncoc1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000884188874 598019756 /nfs/dbraw/zinc/01/97/56/598019756.db2.gz RCUNETYDDWUJPQ-HNNXBMFYSA-N 2 1 328.416 1.700 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884193057 598022056 /nfs/dbraw/zinc/02/20/56/598022056.db2.gz VGEAUXJFZKFPOM-AWEZNQCLSA-N 2 1 347.381 1.790 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884193057 598022059 /nfs/dbraw/zinc/02/20/59/598022059.db2.gz VGEAUXJFZKFPOM-AWEZNQCLSA-N 2 1 347.381 1.790 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884208116 598029921 /nfs/dbraw/zinc/02/99/21/598029921.db2.gz QJWMCWTYZPOXEM-ZDUSSCGKSA-N 2 1 344.253 1.143 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)C1 ZINC000884213466 598031837 /nfs/dbraw/zinc/03/18/37/598031837.db2.gz BWVDVIHBZXSOEC-SMDDNHRTSA-N 2 1 345.365 1.542 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)C1 ZINC000884213466 598031840 /nfs/dbraw/zinc/03/18/40/598031840.db2.gz BWVDVIHBZXSOEC-SMDDNHRTSA-N 2 1 345.365 1.542 20 0 EDADMP c1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000882726127 598034457 /nfs/dbraw/zinc/03/44/57/598034457.db2.gz KUADMSCZMUNZAX-INIZCTEOSA-N 2 1 347.463 1.051 20 0 EDADMP C[C@H]([NH3+])c1cn(CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)nn1 ZINC000881070759 598064000 /nfs/dbraw/zinc/06/40/00/598064000.db2.gz RMBOGIHICPWJBM-GJZGRUSLSA-N 2 1 342.447 1.203 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000884327735 598069330 /nfs/dbraw/zinc/06/93/30/598069330.db2.gz AWXFNZPWVLVIQF-FUHWJXTLSA-N 2 1 331.460 1.841 20 0 EDADMP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000884466472 598113350 /nfs/dbraw/zinc/11/33/50/598113350.db2.gz ACDHQTIKYXAKQC-MOPGFXCFSA-N 2 1 347.503 1.946 20 0 EDADMP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000884466472 598113353 /nfs/dbraw/zinc/11/33/53/598113353.db2.gz ACDHQTIKYXAKQC-MOPGFXCFSA-N 2 1 347.503 1.946 20 0 EDADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000884513654 598125067 /nfs/dbraw/zinc/12/50/67/598125067.db2.gz OCTCJFRDPUBJCB-INIZCTEOSA-N 2 1 346.475 1.011 20 0 EDADMP CCO[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)C[NH+](C)C ZINC000914073893 695068261 /nfs/dbraw/zinc/06/82/61/695068261.db2.gz TZQVYKGXRLNVQZ-ARFHVFGLSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCc2cccc(CN3CCOCC3)c2)CC[N@H+]1C ZINC000914250841 695305342 /nfs/dbraw/zinc/30/53/42/695305342.db2.gz BKJWTCOHDJCRNW-YJBOKZPZSA-N 2 1 346.475 1.411 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000914250841 695305345 /nfs/dbraw/zinc/30/53/45/695305345.db2.gz BKJWTCOHDJCRNW-YJBOKZPZSA-N 2 1 346.475 1.411 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000914250841 695305347 /nfs/dbraw/zinc/30/53/47/695305347.db2.gz BKJWTCOHDJCRNW-YJBOKZPZSA-N 2 1 346.475 1.411 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](CC[C@@H]3CCCCO3)C2)CC1 ZINC001031188692 695707519 /nfs/dbraw/zinc/70/75/19/695707519.db2.gz XPHRQFUZIMTRKT-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993505249 696184080 /nfs/dbraw/zinc/18/40/80/696184080.db2.gz UBNVHILIPFOBFG-WMLDXEAASA-N 2 1 330.432 1.872 20 0 EDADMP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)o1 ZINC000993758988 696352141 /nfs/dbraw/zinc/35/21/41/696352141.db2.gz JUSFWFYSJDZUKY-GUYCJALGSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)o1 ZINC000993758988 696352144 /nfs/dbraw/zinc/35/21/44/696352144.db2.gz JUSFWFYSJDZUKY-GUYCJALGSA-N 2 1 334.464 1.794 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CCc1ccnn1C ZINC000993759098 696352185 /nfs/dbraw/zinc/35/21/85/696352185.db2.gz KGMFXSPUWFZQQL-QAPCUYQASA-N 2 1 347.507 1.274 20 0 EDADMP Cc1nccnc1C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993758978 696352199 /nfs/dbraw/zinc/35/21/99/696352199.db2.gz JULDVEHCCZEXMD-WBVHZDCISA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993758978 696352201 /nfs/dbraw/zinc/35/22/01/696352201.db2.gz JULDVEHCCZEXMD-WBVHZDCISA-N 2 1 345.491 1.596 20 0 EDADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccns1 ZINC000993765891 696363207 /nfs/dbraw/zinc/36/32/07/696363207.db2.gz WJHVLSGJCULDLI-XJKSGUPXSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccns1 ZINC000993765891 696363209 /nfs/dbraw/zinc/36/32/09/696363209.db2.gz WJHVLSGJCULDLI-XJKSGUPXSA-N 2 1 336.505 1.954 20 0 EDADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993991350 696484763 /nfs/dbraw/zinc/48/47/63/696484763.db2.gz UKHNRUKUVBEHEC-FUHWJXTLSA-N 2 1 347.507 1.994 20 0 EDADMP CC(C)C[C@H](CNC(=S)NCCC[NH+]1CCOCC1)[NH+](C)C ZINC000916017305 696612000 /nfs/dbraw/zinc/61/20/00/696612000.db2.gz XSAFAVSFHFWGCT-OAHLLOKOSA-N 2 1 330.542 1.149 20 0 EDADMP Cc1noc(CCC[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)n1 ZINC000994404079 696826598 /nfs/dbraw/zinc/82/65/98/696826598.db2.gz DTOMVXSDCUGFBN-GOEBONIOSA-N 2 1 349.479 1.376 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCCN1Cc1cncc(F)c1 ZINC000994406657 696830192 /nfs/dbraw/zinc/83/01/92/696830192.db2.gz KDAXOTSQFLYTRN-PBHICJAKSA-N 2 1 334.439 1.786 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCOCC2)[C@H]1C ZINC000994421850 696843735 /nfs/dbraw/zinc/84/37/35/696843735.db2.gz NGCKJENUMXDYFR-MAUKXSAKSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCOCC2)[C@H]1C ZINC000994421850 696843738 /nfs/dbraw/zinc/84/37/38/696843738.db2.gz NGCKJENUMXDYFR-MAUKXSAKSA-N 2 1 348.491 1.977 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)C1CCCC1 ZINC000916971391 696866047 /nfs/dbraw/zinc/86/60/47/696866047.db2.gz DOKQOSGCHDHEBL-HZPDHXFCSA-N 2 1 340.537 1.740 20 0 EDADMP C[NH+](CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C1CCCC1 ZINC000916971391 696866050 /nfs/dbraw/zinc/86/60/50/696866050.db2.gz DOKQOSGCHDHEBL-HZPDHXFCSA-N 2 1 340.537 1.740 20 0 EDADMP C[NH+](CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C1CCCC1 ZINC000916971391 696866054 /nfs/dbraw/zinc/86/60/54/696866054.db2.gz DOKQOSGCHDHEBL-HZPDHXFCSA-N 2 1 340.537 1.740 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000917571217 697040818 /nfs/dbraw/zinc/04/08/18/697040818.db2.gz SSWLCHFOBIBUSF-RBSFLKMASA-N 2 1 326.510 1.207 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000917571217 697040819 /nfs/dbraw/zinc/04/08/19/697040819.db2.gz SSWLCHFOBIBUSF-RBSFLKMASA-N 2 1 326.510 1.207 20 0 EDADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](c3nccn3C)C2)CC1 ZINC000444790191 697154898 /nfs/dbraw/zinc/15/48/98/697154898.db2.gz HMAZMAXNTSHWAQ-HNNXBMFYSA-N 2 1 348.447 1.011 20 0 EDADMP COC(=O)C1CCN(C(=O)CN2CCC[C@H](c3nccn3C)C2)CC1 ZINC000444790191 697154900 /nfs/dbraw/zinc/15/49/00/697154900.db2.gz HMAZMAXNTSHWAQ-HNNXBMFYSA-N 2 1 348.447 1.011 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC001031585543 697280363 /nfs/dbraw/zinc/28/03/63/697280363.db2.gz ZBEMEWIBQOIXIY-MRXNPFEDSA-N 2 1 345.443 1.100 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC001031585543 697280365 /nfs/dbraw/zinc/28/03/65/697280365.db2.gz ZBEMEWIBQOIXIY-MRXNPFEDSA-N 2 1 345.443 1.100 20 0 EDADMP CN1CCO[C@H](C(=O)NCC2CN([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001031596946 697297641 /nfs/dbraw/zinc/29/76/41/697297641.db2.gz SNEBHAPSCRSQIN-MSOLQXFVSA-N 2 1 347.434 1.192 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000919627075 697307312 /nfs/dbraw/zinc/30/73/12/697307312.db2.gz FDOOETZAYUGQBK-OWCLPIDISA-N 2 1 338.521 1.350 20 0 EDADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000919627075 697307314 /nfs/dbraw/zinc/30/73/14/697307314.db2.gz FDOOETZAYUGQBK-OWCLPIDISA-N 2 1 338.521 1.350 20 0 EDADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000919627075 697307317 /nfs/dbraw/zinc/30/73/17/697307317.db2.gz FDOOETZAYUGQBK-OWCLPIDISA-N 2 1 338.521 1.350 20 0 EDADMP C[NH+]1CCC(NC(=S)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000920307841 697419184 /nfs/dbraw/zinc/41/91/84/697419184.db2.gz PXJSAAWNPHYEPO-KRWDZBQOSA-N 2 1 332.517 1.819 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=S)NC1CC[NH+](C)CC1 ZINC000920311782 697421949 /nfs/dbraw/zinc/42/19/49/697421949.db2.gz CQCHVHAVGNWQBA-UHFFFAOYSA-N 2 1 344.488 1.634 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)CN2CCCC2)C1 ZINC000921113068 697515551 /nfs/dbraw/zinc/51/55/51/697515551.db2.gz VZZIWVBIVQTBNY-GVDBMIGSSA-N 2 1 325.497 1.460 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000921113068 697515558 /nfs/dbraw/zinc/51/55/58/697515558.db2.gz VZZIWVBIVQTBNY-GVDBMIGSSA-N 2 1 325.497 1.460 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccc2F)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688281 697520264 /nfs/dbraw/zinc/52/02/64/697520264.db2.gz CFFLLVRALMRSFT-WMZOPIPTSA-N 2 1 347.434 1.237 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccc2F)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688281 697520266 /nfs/dbraw/zinc/52/02/66/697520266.db2.gz CFFLLVRALMRSFT-WMZOPIPTSA-N 2 1 347.434 1.237 20 0 EDADMP CC[N@@H+]1C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)[C@@H](C)C1 ZINC000921406547 697594860 /nfs/dbraw/zinc/59/48/60/697594860.db2.gz KOWGEZWKMGSTRW-XIRDDKMYSA-N 2 1 333.480 1.714 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncc(C)c2)C1 ZINC001031710955 697715701 /nfs/dbraw/zinc/71/57/01/697715701.db2.gz ARXPHSJCNQZJNU-GOSISDBHSA-N 2 1 330.476 1.812 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncc(C)c2)C1 ZINC001031710955 697715706 /nfs/dbraw/zinc/71/57/06/697715706.db2.gz ARXPHSJCNQZJNU-GOSISDBHSA-N 2 1 330.476 1.812 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2oc(C)nc2C)C1 ZINC001031713747 697736039 /nfs/dbraw/zinc/73/60/39/697736039.db2.gz DTEYBZXIZCKIRH-MRXNPFEDSA-N 2 1 334.464 1.714 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2oc(C)nc2C)C1 ZINC001031713747 697736042 /nfs/dbraw/zinc/73/60/42/697736042.db2.gz DTEYBZXIZCKIRH-MRXNPFEDSA-N 2 1 334.464 1.714 20 0 EDADMP O=C(NCC1C[NH+](CCC2CC2)C1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001031727478 697955698 /nfs/dbraw/zinc/95/56/98/697955698.db2.gz IDYUULPPVNSELC-SFHVURJKSA-N 2 1 335.492 1.478 20 0 EDADMP C[C@@H](F)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727939 698003093 /nfs/dbraw/zinc/00/30/93/698003093.db2.gz ZOZZVJAKNHUFOK-PBHICJAKSA-N 2 1 341.471 1.426 20 0 EDADMP C[C@@H]1C[N@@H+](CCn2cccn2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943288834 698048663 /nfs/dbraw/zinc/04/86/63/698048663.db2.gz NHUOHQJWHMNMBW-SJLPKXTDSA-N 2 1 347.507 1.442 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001031729610 698055358 /nfs/dbraw/zinc/05/53/58/698055358.db2.gz RBPZFECOQTZOID-MSOLQXFVSA-N 2 1 337.508 1.581 20 0 EDADMP C[C@H](F)CC[NH+]1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001032080136 698248864 /nfs/dbraw/zinc/24/88/64/698248864.db2.gz INOXIPCIRNIKEV-ZDUSSCGKSA-N 2 1 331.395 1.677 20 0 EDADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943518422 698433036 /nfs/dbraw/zinc/43/30/36/698433036.db2.gz RYTXQYRXEQMVLB-AEFFLSMTSA-N 2 1 349.523 1.931 20 0 EDADMP Cc1cncc(C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)c1 ZINC001031764737 699049790 /nfs/dbraw/zinc/04/97/90/699049790.db2.gz MJXLRRKMJQLBDA-UHFFFAOYSA-N 2 1 342.487 1.814 20 0 EDADMP O=C(NCC1C[NH+](CC2CCOCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001031765138 699050507 /nfs/dbraw/zinc/05/05/07/699050507.db2.gz BMNDBPPTUPKWSQ-ROUUACIJSA-N 2 1 335.492 1.478 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)c(C)o1 ZINC000939063194 699106189 /nfs/dbraw/zinc/10/61/89/699106189.db2.gz BSGNNEDLJGRPQF-SJCJKPOMSA-N 2 1 334.464 1.570 20 0 EDADMP CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)C1 ZINC000941532238 701572791 /nfs/dbraw/zinc/57/27/91/701572791.db2.gz UNFDUNYPFVEBGZ-IBGZPJMESA-N 2 1 348.535 1.632 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)c(C)o1 ZINC000939137048 699223607 /nfs/dbraw/zinc/22/36/07/699223607.db2.gz DOWWINCDCSOUSI-GUYCJALGSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)c(C)o1 ZINC000939137048 699223610 /nfs/dbraw/zinc/22/36/10/699223610.db2.gz DOWWINCDCSOUSI-GUYCJALGSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939137098 699224024 /nfs/dbraw/zinc/22/40/24/699224024.db2.gz FGYIMZWDASHAAE-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939129552 699226955 /nfs/dbraw/zinc/22/69/55/699226955.db2.gz XTRFNCBSUMYVQE-RHSMWYFYSA-N 2 1 348.466 1.889 20 0 EDADMP CC[C@H](C[NH+]1CC(CNC(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1)OC ZINC001031787143 699242011 /nfs/dbraw/zinc/24/20/11/699242011.db2.gz BFZGZSUZMCVHGG-LSDHHAIUSA-N 2 1 334.464 1.296 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941595351 701587223 /nfs/dbraw/zinc/58/72/23/701587223.db2.gz HYEMHSJHCUXGMF-LJQANCHMSA-N 2 1 348.535 1.488 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)nc1 ZINC000939258496 699435685 /nfs/dbraw/zinc/43/56/85/699435685.db2.gz QRSSRYFFFLTNOW-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1nncs1 ZINC000939259121 699436969 /nfs/dbraw/zinc/43/69/69/699436969.db2.gz UFTIIQGRMRIBLH-JSGCOSHPSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ncccn1 ZINC000939259752 699437503 /nfs/dbraw/zinc/43/75/03/699437503.db2.gz WIUJHQZPTALTGB-ZBFHGGJFSA-N 2 1 331.464 1.145 20 0 EDADMP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC000939320153 699498611 /nfs/dbraw/zinc/49/86/11/699498611.db2.gz QPPLTGGGINQOKZ-AEFFLSMTSA-N 2 1 346.475 1.049 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941677436 701615848 /nfs/dbraw/zinc/61/58/48/701615848.db2.gz RDHRSQCWFOOGFH-IYBDPMFKSA-N 2 1 340.487 1.047 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)n1 ZINC000939753880 699903565 /nfs/dbraw/zinc/90/35/65/699903565.db2.gz JCQIYEPLJUEDLE-GUYCJALGSA-N 2 1 344.463 1.142 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1csc(Cl)n1 ZINC000939757067 699923736 /nfs/dbraw/zinc/92/37/36/699923736.db2.gz XHQITKMZFWBFEM-DGCLKSJQSA-N 2 1 342.896 1.829 20 0 EDADMP Cc1ncsc1C[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031850152 699939071 /nfs/dbraw/zinc/93/90/71/699939071.db2.gz QVMKQMFARNINDO-UHFFFAOYSA-N 2 1 341.440 1.961 20 0 EDADMP C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1[NH2+]Cc1ccon1 ZINC000939806491 699955352 /nfs/dbraw/zinc/95/53/52/699955352.db2.gz JBUWRDBXVAKLMQ-KSSFIOAISA-N 2 1 342.443 1.987 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000939811493 699959631 /nfs/dbraw/zinc/95/96/31/699959631.db2.gz TYTMSCUDZSPPIJ-BBRMVZONSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)cn1 ZINC000940328343 700506390 /nfs/dbraw/zinc/50/63/90/700506390.db2.gz HJUQCTKHNNSZRA-HNNXBMFYSA-N 2 1 345.491 1.740 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3cnns3)CC2)C1 ZINC000940329884 700509537 /nfs/dbraw/zinc/50/95/37/700509537.db2.gz ZFEKCGQIMNAKEU-CYBMUJFWSA-N 2 1 337.493 1.351 20 0 EDADMP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940426265 700620070 /nfs/dbraw/zinc/62/00/70/700620070.db2.gz MHRKTSMHXBANRA-OAHLLOKOSA-N 2 1 333.480 1.233 20 0 EDADMP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940461874 700665289 /nfs/dbraw/zinc/66/52/89/700665289.db2.gz PEXZYMLJJGNCBR-AWEZNQCLSA-N 2 1 334.464 1.659 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCC3)CC2(C)C)C1 ZINC000940646190 700808558 /nfs/dbraw/zinc/80/85/58/700808558.db2.gz DBOODAQDNYETFV-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCC3)CC2(C)C)C1 ZINC000940646190 700808560 /nfs/dbraw/zinc/80/85/60/700808560.db2.gz DBOODAQDNYETFV-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CC3CCCC3)CC2(C)C)C1 ZINC000940646190 700808562 /nfs/dbraw/zinc/80/85/62/700808562.db2.gz DBOODAQDNYETFV-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)CC2(C)C)C1 ZINC000940646190 700808563 /nfs/dbraw/zinc/80/85/63/700808563.db2.gz DBOODAQDNYETFV-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736781 700877832 /nfs/dbraw/zinc/87/78/32/700877832.db2.gz JQTYJPKXGLIXNA-CVEARBPZSA-N 2 1 325.497 1.722 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736781 700877833 /nfs/dbraw/zinc/87/78/33/700877833.db2.gz JQTYJPKXGLIXNA-CVEARBPZSA-N 2 1 325.497 1.722 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940736781 700877834 /nfs/dbraw/zinc/87/78/34/700877834.db2.gz JQTYJPKXGLIXNA-CVEARBPZSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCCOC2)CC1(C)C ZINC000940892428 700967657 /nfs/dbraw/zinc/96/76/57/700967657.db2.gz CPGCIGUBNGUBHA-SJORKVTESA-N 2 1 348.491 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCCOC2)CC1(C)C ZINC000940892428 700967658 /nfs/dbraw/zinc/96/76/58/700967658.db2.gz CPGCIGUBNGUBHA-SJORKVTESA-N 2 1 348.491 1.835 20 0 EDADMP CO[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031917555 701017776 /nfs/dbraw/zinc/01/77/76/701017776.db2.gz AIZITMLFFWVOML-CRAIPNDOSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1ncsc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031921586 701063587 /nfs/dbraw/zinc/06/35/87/701063587.db2.gz VFVGIPHNBDGBHB-WFASDCNBSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1ncsc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031921586 701063588 /nfs/dbraw/zinc/06/35/88/701063588.db2.gz VFVGIPHNBDGBHB-WFASDCNBSA-N 2 1 336.505 1.730 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(F)cn3)CC2(C)C)C1 ZINC000941217577 701403881 /nfs/dbraw/zinc/40/38/81/701403881.db2.gz PNWZIDLYJANBPK-WMLDXEAASA-N 2 1 348.466 1.889 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(F)cn3)CC2(C)C)C1 ZINC000941217577 701403882 /nfs/dbraw/zinc/40/38/82/701403882.db2.gz PNWZIDLYJANBPK-WMLDXEAASA-N 2 1 348.466 1.889 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)cn3)CC2(C)C)C1 ZINC000941217577 701403883 /nfs/dbraw/zinc/40/38/83/701403883.db2.gz PNWZIDLYJANBPK-WMLDXEAASA-N 2 1 348.466 1.889 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)cn3)CC2(C)C)C1 ZINC000941217577 701403884 /nfs/dbraw/zinc/40/38/84/701403884.db2.gz PNWZIDLYJANBPK-WMLDXEAASA-N 2 1 348.466 1.889 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)ncn1 ZINC000941217783 701404129 /nfs/dbraw/zinc/40/41/29/701404129.db2.gz SDBYQPFHXFNBQS-RDJZCZTQSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)ncn1 ZINC000941217783 701404130 /nfs/dbraw/zinc/40/41/30/701404130.db2.gz SDBYQPFHXFNBQS-RDJZCZTQSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)ncn1 ZINC000941217783 701404131 /nfs/dbraw/zinc/40/41/31/701404131.db2.gz SDBYQPFHXFNBQS-RDJZCZTQSA-N 2 1 345.491 1.453 20 0 EDADMP CC1(C)C[N@@H+](Cc2cccnc2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941220364 701410583 /nfs/dbraw/zinc/41/05/83/701410583.db2.gz CJOXISILGBXHJY-KRWDZBQOSA-N 2 1 330.476 1.894 20 0 EDADMP Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221325 701411806 /nfs/dbraw/zinc/41/18/06/701411806.db2.gz QRYGAHCWGCQTRZ-MRXNPFEDSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCOC2)CC1(C)C ZINC000941223901 701414396 /nfs/dbraw/zinc/41/43/96/701414396.db2.gz MYIMNIWBQKAVFB-HZPDHXFCSA-N 2 1 334.464 1.445 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCOC2)CC1(C)C ZINC000941223901 701414397 /nfs/dbraw/zinc/41/43/97/701414397.db2.gz MYIMNIWBQKAVFB-HZPDHXFCSA-N 2 1 334.464 1.445 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ncccn3)C[C@H]2CC1 ZINC000946518571 706604474 /nfs/dbraw/zinc/60/44/74/706604474.db2.gz XQUKXEIWXKBJCF-BBWFWOEESA-N 2 1 343.475 1.241 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]2CC1 ZINC000946518571 706604476 /nfs/dbraw/zinc/60/44/76/706604476.db2.gz XQUKXEIWXKBJCF-BBWFWOEESA-N 2 1 343.475 1.241 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]2CC1 ZINC000946518571 706604478 /nfs/dbraw/zinc/60/44/78/706604478.db2.gz XQUKXEIWXKBJCF-BBWFWOEESA-N 2 1 343.475 1.241 20 0 EDADMP COc1ccc(C)cc1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976809 701930121 /nfs/dbraw/zinc/93/01/21/701930121.db2.gz SSINNEOWGFRUBW-YJBOKZPZSA-N 2 1 345.487 1.749 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1 ZINC000999189083 706630861 /nfs/dbraw/zinc/63/08/61/706630861.db2.gz HYJKEQIOUBXSDB-BZUAXINKSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC000999189083 706630863 /nfs/dbraw/zinc/63/08/63/706630863.db2.gz HYJKEQIOUBXSDB-BZUAXINKSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999190284 706632720 /nfs/dbraw/zinc/63/27/20/706632720.db2.gz PUIAURNLUANMTC-OWCLPIDISA-N 2 1 331.464 1.206 20 0 EDADMP CCc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)c1 ZINC001031977210 702014503 /nfs/dbraw/zinc/01/45/03/702014503.db2.gz AWKIEIOQKGAYMO-BEFAXECRSA-N 2 1 329.488 1.995 20 0 EDADMP CC[C@@H](C)C[NH+]1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001031979221 702050629 /nfs/dbraw/zinc/05/06/29/702050629.db2.gz UGTCXTZXUANHDU-CQSZACIVSA-N 2 1 334.464 1.978 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001032205713 702093913 /nfs/dbraw/zinc/09/39/13/702093913.db2.gz GJNBXRIPEKBGMS-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]([NH2+]CCF)C(C)(C)C2)n[nH]1 ZINC000995843771 702124826 /nfs/dbraw/zinc/12/48/26/702124826.db2.gz DNVNNHVJUQMYPQ-LSDHHAIUSA-N 2 1 337.443 1.586 20 0 EDADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]([NH2+]CCF)C(C)(C)C2)n[nH]1 ZINC000995843771 702124829 /nfs/dbraw/zinc/12/48/29/702124829.db2.gz DNVNNHVJUQMYPQ-LSDHHAIUSA-N 2 1 337.443 1.586 20 0 EDADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@H]([NH2+]CCF)C(C)(C)C2)n[nH]1 ZINC000995843758 702124889 /nfs/dbraw/zinc/12/48/89/702124889.db2.gz DNVNNHVJUQMYPQ-GJZGRUSLSA-N 2 1 337.443 1.586 20 0 EDADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@H]([NH2+]CCF)C(C)(C)C2)n[nH]1 ZINC000995843758 702124891 /nfs/dbraw/zinc/12/48/91/702124891.db2.gz DNVNNHVJUQMYPQ-GJZGRUSLSA-N 2 1 337.443 1.586 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccn3)C2)CC[N@H+]1C ZINC000999208408 706661672 /nfs/dbraw/zinc/66/16/72/706661672.db2.gz MYXFRNPXMVUVNY-FGTMMUONSA-N 2 1 330.476 1.893 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NCc2nccs2)C(C)(C)C1 ZINC000995973900 702359331 /nfs/dbraw/zinc/35/93/31/702359331.db2.gz GEJNPWYKLCSOSU-UONOGXRCSA-N 2 1 336.505 1.954 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000995973900 702359346 /nfs/dbraw/zinc/35/93/46/702359346.db2.gz GEJNPWYKLCSOSU-UONOGXRCSA-N 2 1 336.505 1.954 20 0 EDADMP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]Cc1ccon1 ZINC000995995290 702373384 /nfs/dbraw/zinc/37/33/84/702373384.db2.gz HIXLGFNMHPXABE-OAHLLOKOSA-N 2 1 332.448 1.630 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)o1 ZINC000944166896 702404016 /nfs/dbraw/zinc/40/40/16/702404016.db2.gz ASXMSVOLUYBOFT-BBRMVZONSA-N 2 1 332.448 1.405 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cncs2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170840 702414805 /nfs/dbraw/zinc/41/48/05/702414805.db2.gz VNHYRGINDVXPIA-ZFWWWQNUSA-N 2 1 334.489 1.566 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCC3CC3)C(C)(C)C2)C1 ZINC000996185203 702588810 /nfs/dbraw/zinc/58/88/10/702588810.db2.gz GAJANHHFBVNNIA-DLBZAZTESA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCC3CC3)C(C)(C)C2)C1 ZINC000996185203 702588813 /nfs/dbraw/zinc/58/88/13/702588813.db2.gz GAJANHHFBVNNIA-DLBZAZTESA-N 2 1 337.508 1.722 20 0 EDADMP CCc1noc(CN[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)n1 ZINC000996301175 702692970 /nfs/dbraw/zinc/69/29/70/702692970.db2.gz RCRDMUOIPDDENR-ZIAGYGMSSA-N 2 1 349.479 1.443 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996302754 702694669 /nfs/dbraw/zinc/69/46/69/702694669.db2.gz YWGLCCRCMPDQQJ-CVEARBPZSA-N 2 1 347.507 1.714 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC000995212113 702700937 /nfs/dbraw/zinc/70/09/37/702700937.db2.gz OLMWAMWUJMQPBQ-IAGOWNOFSA-N 2 1 334.464 1.493 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2nccc(C)n2)C(C)(C)C1)[NH+](C)C ZINC000996315641 702703847 /nfs/dbraw/zinc/70/38/47/702703847.db2.gz QUMDTHNYQNPJLZ-LSDHHAIUSA-N 2 1 333.480 1.452 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996381822 702747214 /nfs/dbraw/zinc/74/72/14/702747214.db2.gz ZTSVSOMJIKDZAM-HZPDHXFCSA-N 2 1 349.479 1.659 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996381822 702747215 /nfs/dbraw/zinc/74/72/15/702747215.db2.gz ZTSVSOMJIKDZAM-HZPDHXFCSA-N 2 1 349.479 1.659 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@@H]([NH2+]Cc3ccon3)C(C)(C)C2)CC1 ZINC000996385004 702749276 /nfs/dbraw/zinc/74/92/76/702749276.db2.gz CUEMFDCXRVPKDU-MRXNPFEDSA-N 2 1 334.464 1.733 20 0 EDADMP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC000995218349 702750817 /nfs/dbraw/zinc/75/08/17/702750817.db2.gz XMRPOINKNZTUTD-JKSUJKDBSA-N 2 1 345.447 1.871 20 0 EDADMP C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996399838 702756519 /nfs/dbraw/zinc/75/65/19/702756519.db2.gz TUPIXIXLCDOQIJ-PBHICJAKSA-N 2 1 348.491 1.842 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]Cc3cnns3)C(C)(C)C2)C1 ZINC000996521300 702856757 /nfs/dbraw/zinc/85/67/57/702856757.db2.gz VFMQYBITSUMFJS-OCCSQVGLSA-N 2 1 337.493 1.207 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCC[NH+](CCCO)CC1 ZINC000948438926 702899739 /nfs/dbraw/zinc/89/97/39/702899739.db2.gz CPSIFGZBVZSCIB-QZTJIDSGSA-N 2 1 339.524 1.945 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000948438926 702899742 /nfs/dbraw/zinc/89/97/42/702899742.db2.gz CPSIFGZBVZSCIB-QZTJIDSGSA-N 2 1 339.524 1.945 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000948438926 702899745 /nfs/dbraw/zinc/89/97/45/702899745.db2.gz CPSIFGZBVZSCIB-QZTJIDSGSA-N 2 1 339.524 1.945 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000996605413 702914820 /nfs/dbraw/zinc/91/48/20/702914820.db2.gz FCBBKCBTXAGJMS-LALPHHSUSA-N 2 1 335.452 1.360 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(CO)cc3)C(C)(C)C2)C1 ZINC000996610989 702916102 /nfs/dbraw/zinc/91/61/02/702916102.db2.gz LYJNACXULCZRQC-MSOLQXFVSA-N 2 1 345.487 1.457 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)c(C)o1 ZINC000996615054 702922798 /nfs/dbraw/zinc/92/27/98/702922798.db2.gz OQJPIGCAZCIOTN-ZBFHGGJFSA-N 2 1 334.464 1.570 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)c(C)o1 ZINC000996615054 702922800 /nfs/dbraw/zinc/92/28/00/702922800.db2.gz OQJPIGCAZCIOTN-ZBFHGGJFSA-N 2 1 334.464 1.570 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)ccn1 ZINC000996666552 702963599 /nfs/dbraw/zinc/96/35/99/702963599.db2.gz UFEFGJWYPHAXGB-UHFFFAOYSA-N 2 1 346.475 1.655 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCOc1ccccc1 ZINC001032315307 702968774 /nfs/dbraw/zinc/96/87/74/702968774.db2.gz ICYZZTDEEXMUIY-BQFCYCMXSA-N 2 1 329.444 1.445 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC2(C)C)[nH]1 ZINC000996672973 702973990 /nfs/dbraw/zinc/97/39/90/702973990.db2.gz RMLBKFDDODJSAG-HNNXBMFYSA-N 2 1 348.495 1.316 20 0 EDADMP COc1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@H+]2C)ccc1C ZINC001032315746 702980414 /nfs/dbraw/zinc/98/04/14/702980414.db2.gz WUSUWECAUGRUIB-BZSNNMDCSA-N 2 1 343.471 1.883 20 0 EDADMP CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000995257241 702998915 /nfs/dbraw/zinc/99/89/15/702998915.db2.gz ITYIWUABEZDBFR-QZTJIDSGSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000995257241 702998917 /nfs/dbraw/zinc/99/89/17/702998917.db2.gz ITYIWUABEZDBFR-QZTJIDSGSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000995257241 702998918 /nfs/dbraw/zinc/99/89/18/702998918.db2.gz ITYIWUABEZDBFR-QZTJIDSGSA-N 2 1 330.476 1.846 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)o1 ZINC000996720496 703014035 /nfs/dbraw/zinc/01/40/35/703014035.db2.gz TWNXYKMFIWCXAN-JKSUJKDBSA-N 2 1 347.463 1.476 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)o1 ZINC000996720496 703014037 /nfs/dbraw/zinc/01/40/37/703014037.db2.gz TWNXYKMFIWCXAN-JKSUJKDBSA-N 2 1 347.463 1.476 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000996721802 703017173 /nfs/dbraw/zinc/01/71/73/703017173.db2.gz HMMINXMPELRMAL-WFASDCNBSA-N 2 1 335.452 1.504 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000996721802 703017176 /nfs/dbraw/zinc/01/71/76/703017176.db2.gz HMMINXMPELRMAL-WFASDCNBSA-N 2 1 335.452 1.504 20 0 EDADMP CCn1cc(CC[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000996726092 703021186 /nfs/dbraw/zinc/02/11/86/703021186.db2.gz WIIZDZQBJJWQEZ-SFHVURJKSA-N 2 1 347.507 1.510 20 0 EDADMP CCn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597984 703112686 /nfs/dbraw/zinc/11/26/86/703112686.db2.gz PFFWGEFMJNSVTB-NVXWUHKLSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccnc1C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597984 703112687 /nfs/dbraw/zinc/11/26/87/703112687.db2.gz PFFWGEFMJNSVTB-NVXWUHKLSA-N 2 1 347.507 1.571 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)oc1C ZINC000942598128 703113171 /nfs/dbraw/zinc/11/31/71/703113171.db2.gz RSQKYNUPLKWTAH-SUMWQHHRSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)oc1C ZINC000942598128 703113173 /nfs/dbraw/zinc/11/31/73/703113173.db2.gz RSQKYNUPLKWTAH-SUMWQHHRSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)o1 ZINC000996868033 703140656 /nfs/dbraw/zinc/14/06/56/703140656.db2.gz OXGBQRAKNFBOND-UHFFFAOYSA-N 2 1 335.452 1.333 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)o1 ZINC001032043277 703218865 /nfs/dbraw/zinc/21/88/65/703218865.db2.gz YWEALNCJSKZJIH-IAGOWNOFSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)o1 ZINC001032043277 703218868 /nfs/dbraw/zinc/21/88/68/703218868.db2.gz YWEALNCJSKZJIH-IAGOWNOFSA-N 2 1 346.475 1.856 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000996997728 703254592 /nfs/dbraw/zinc/25/45/92/703254592.db2.gz GEKJJQUCTNLPOU-NVXWUHKLSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)O1 ZINC000997000228 703257204 /nfs/dbraw/zinc/25/72/04/703257204.db2.gz OELYPGIIUCGDNJ-WBVHZDCISA-N 2 1 337.508 1.866 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997005318 703262408 /nfs/dbraw/zinc/26/24/08/703262408.db2.gz HYJRAXJNCIHGSP-STQMWFEESA-N 2 1 335.452 1.361 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997005318 703262409 /nfs/dbraw/zinc/26/24/09/703262409.db2.gz HYJRAXJNCIHGSP-STQMWFEESA-N 2 1 335.452 1.361 20 0 EDADMP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000997006207 703263380 /nfs/dbraw/zinc/26/33/80/703263380.db2.gz FLJAKSHUYFKRGB-CJNGLKHVSA-N 2 1 348.491 1.824 20 0 EDADMP Cn1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)cn1 ZINC000997006602 703263801 /nfs/dbraw/zinc/26/38/01/703263801.db2.gz NEKJQQUCAKRTTI-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000997007802 703265203 /nfs/dbraw/zinc/26/52/03/703265203.db2.gz JNRVAOHEYBYOGS-ZFWWWQNUSA-N 2 1 349.479 1.471 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000997007802 703265206 /nfs/dbraw/zinc/26/52/06/703265206.db2.gz JNRVAOHEYBYOGS-ZFWWWQNUSA-N 2 1 349.479 1.471 20 0 EDADMP CCn1ncnc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000997008032 703265489 /nfs/dbraw/zinc/26/54/89/703265489.db2.gz ULGSHLLSTODUFI-UHFFFAOYSA-N 2 1 348.495 1.111 20 0 EDADMP Cc1nnsc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000997009076 703269617 /nfs/dbraw/zinc/26/96/17/703269617.db2.gz XUHYURPWTAPEGG-LBPRGKRZSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC([NH2+]C[C@@H]3CCOC3)CC1)C2 ZINC000997011432 703271582 /nfs/dbraw/zinc/27/15/82/703271582.db2.gz VJBVLWXIFGNVPF-HOTGVXAUSA-N 2 1 346.475 1.371 20 0 EDADMP Cc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)c(C)n1 ZINC000997012942 703272505 /nfs/dbraw/zinc/27/25/05/703272505.db2.gz YQEJJKSUFRYYKB-LIRRHRJNSA-N 2 1 344.503 1.977 20 0 EDADMP Cc1ncsc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997013460 703273219 /nfs/dbraw/zinc/27/32/19/703273219.db2.gz ZPJJDJSHAIQOKU-SWLSCSKDSA-N 2 1 336.505 1.730 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1cnn(C)c1 ZINC001032399743 703412980 /nfs/dbraw/zinc/41/29/80/703412980.db2.gz FENLIHKGDBMXFA-OKZBNKHCSA-N 2 1 345.491 1.121 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1cnn(C)c1 ZINC001032399743 703412982 /nfs/dbraw/zinc/41/29/82/703412982.db2.gz FENLIHKGDBMXFA-OKZBNKHCSA-N 2 1 345.491 1.121 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1cnn(C)c1 ZINC001032399743 703412984 /nfs/dbraw/zinc/41/29/84/703412984.db2.gz FENLIHKGDBMXFA-OKZBNKHCSA-N 2 1 345.491 1.121 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1cnn(C)c1 ZINC001032399743 703412987 /nfs/dbraw/zinc/41/29/87/703412987.db2.gz FENLIHKGDBMXFA-OKZBNKHCSA-N 2 1 345.491 1.121 20 0 EDADMP Cc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001032410528 703441134 /nfs/dbraw/zinc/44/11/34/703441134.db2.gz IIUBRGQJJVRFSP-SYAUCNOPSA-N 2 1 348.516 1.885 20 0 EDADMP Cc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001032410528 703441137 /nfs/dbraw/zinc/44/11/37/703441137.db2.gz IIUBRGQJJVRFSP-SYAUCNOPSA-N 2 1 348.516 1.885 20 0 EDADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)s1 ZINC001032410528 703441139 /nfs/dbraw/zinc/44/11/39/703441139.db2.gz IIUBRGQJJVRFSP-SYAUCNOPSA-N 2 1 348.516 1.885 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)s1 ZINC001032410528 703441141 /nfs/dbraw/zinc/44/11/41/703441141.db2.gz IIUBRGQJJVRFSP-SYAUCNOPSA-N 2 1 348.516 1.885 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC000997182050 703466851 /nfs/dbraw/zinc/46/68/51/703466851.db2.gz GCNTWFITHYVGFM-LSDHHAIUSA-N 2 1 331.464 1.460 20 0 EDADMP CCn1cc(CC[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997185056 703473815 /nfs/dbraw/zinc/47/38/15/703473815.db2.gz OZWNZXHBLBTGSO-MRXNPFEDSA-N 2 1 347.507 1.368 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000997185108 703473956 /nfs/dbraw/zinc/47/39/56/703473956.db2.gz PJKSYQCYBOXCBE-TZMCWYRMSA-N 2 1 335.452 1.361 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000997185108 703473958 /nfs/dbraw/zinc/47/39/58/703473958.db2.gz PJKSYQCYBOXCBE-TZMCWYRMSA-N 2 1 335.452 1.361 20 0 EDADMP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC001032417286 703499080 /nfs/dbraw/zinc/49/90/80/703499080.db2.gz VJZQYWDLZGERSV-ZQIUZPCESA-N 2 1 331.464 1.875 20 0 EDADMP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001032417286 703499081 /nfs/dbraw/zinc/49/90/81/703499081.db2.gz VJZQYWDLZGERSV-ZQIUZPCESA-N 2 1 331.464 1.875 20 0 EDADMP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001032417286 703499082 /nfs/dbraw/zinc/49/90/82/703499082.db2.gz VJZQYWDLZGERSV-ZQIUZPCESA-N 2 1 331.464 1.875 20 0 EDADMP C[C@H](NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000921553647 703513066 /nfs/dbraw/zinc/51/30/66/703513066.db2.gz KSCCUOOLIANQIL-VUGNNNGISA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000921553647 703513068 /nfs/dbraw/zinc/51/30/68/703513068.db2.gz KSCCUOOLIANQIL-VUGNNNGISA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000997260188 703539689 /nfs/dbraw/zinc/53/96/89/703539689.db2.gz GKOBCGATJUVDBO-KBAYOESNSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2cc(C)ncn2)CC1 ZINC000997309643 703566866 /nfs/dbraw/zinc/56/68/66/703566866.db2.gz NHGKTKVWWWGSLR-UHFFFAOYSA-N 2 1 328.420 1.071 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000997309480 703567078 /nfs/dbraw/zinc/56/70/78/703567078.db2.gz LKRHEAYIAIJYOQ-UHFFFAOYSA-N 2 1 345.447 1.831 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(NCc2csnn2)CC1 ZINC000997360648 703590785 /nfs/dbraw/zinc/59/07/85/703590785.db2.gz QDKTXFBDLJXVCU-BETUJISGSA-N 2 1 337.493 1.492 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000997360648 703590786 /nfs/dbraw/zinc/59/07/86/703590786.db2.gz QDKTXFBDLJXVCU-BETUJISGSA-N 2 1 337.493 1.492 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000997360648 703590787 /nfs/dbraw/zinc/59/07/87/703590787.db2.gz QDKTXFBDLJXVCU-BETUJISGSA-N 2 1 337.493 1.492 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)ncn2)CC1 ZINC000997366583 703600453 /nfs/dbraw/zinc/60/04/53/703600453.db2.gz HEJDSCNPXSAPFU-SFHVURJKSA-N 2 1 345.491 1.740 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nncn2C)CC1 ZINC000997366704 703600623 /nfs/dbraw/zinc/60/06/23/703600623.db2.gz JTPBUHZUVIDQJA-ZBFHGGJFSA-N 2 1 348.495 1.331 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001032443740 703620540 /nfs/dbraw/zinc/62/05/40/703620540.db2.gz BRNSWMMRHCACJD-ULQDDVLXSA-N 2 1 347.507 1.535 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032443740 703620541 /nfs/dbraw/zinc/62/05/41/703620541.db2.gz BRNSWMMRHCACJD-ULQDDVLXSA-N 2 1 347.507 1.535 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000997419878 703670064 /nfs/dbraw/zinc/67/00/64/703670064.db2.gz DFOCQDVGGGPIFQ-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)on1 ZINC000997512339 703760444 /nfs/dbraw/zinc/76/04/44/703760444.db2.gz YKGGCEQYPHPDER-YOEHRIQHSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CCOC2)ccc2c[nH+]cn21 ZINC001032488725 703763749 /nfs/dbraw/zinc/76/37/49/703763749.db2.gz OZXDYLCYWSSAMZ-PVAVHDDUSA-N 2 1 340.427 1.578 20 0 EDADMP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCOC1 ZINC001032500707 703818777 /nfs/dbraw/zinc/81/87/77/703818777.db2.gz CPBTYYUUQSSQHE-JQFCIGGWSA-N 2 1 326.400 1.270 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000997614426 703914145 /nfs/dbraw/zinc/91/41/45/703914145.db2.gz QRUPARRXBKZFFE-SWLSCSKDSA-N 2 1 335.452 1.361 20 0 EDADMP Cc1ccncc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997644168 703955900 /nfs/dbraw/zinc/95/59/00/703955900.db2.gz FXQKEFZYEVVBMR-SFHVURJKSA-N 2 1 346.475 1.049 20 0 EDADMP Cc1ccncc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997644168 703955904 /nfs/dbraw/zinc/95/59/04/703955904.db2.gz FXQKEFZYEVVBMR-SFHVURJKSA-N 2 1 346.475 1.049 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)o1 ZINC001004207444 703966488 /nfs/dbraw/zinc/96/64/88/703966488.db2.gz WDNVKTGHJHNITA-KBPBESRZSA-N 2 1 334.464 1.936 20 0 EDADMP CC[C@@H](C[NH+]1CC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1)OC ZINC001042925129 704043557 /nfs/dbraw/zinc/04/35/57/704043557.db2.gz XYYUFVQMDIFMQM-RDJZCZTQSA-N 2 1 325.497 1.817 20 0 EDADMP CC[C@@H](C[NH+]1CC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1)OC ZINC001042925129 704043565 /nfs/dbraw/zinc/04/35/65/704043565.db2.gz XYYUFVQMDIFMQM-RDJZCZTQSA-N 2 1 325.497 1.817 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]CCn3cccn3)C2)CC[N@H+]1C ZINC000999291486 706786893 /nfs/dbraw/zinc/78/68/93/706786893.db2.gz BVZCYXLVAFCKQN-JUVOFCAFSA-N 2 1 333.480 1.192 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001033082298 704139063 /nfs/dbraw/zinc/13/90/63/704139063.db2.gz QAFRQFKNADGLOF-QZTJIDSGSA-N 2 1 343.475 1.160 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001033082298 704139064 /nfs/dbraw/zinc/13/90/64/704139064.db2.gz QAFRQFKNADGLOF-QZTJIDSGSA-N 2 1 343.475 1.160 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001033083174 704140844 /nfs/dbraw/zinc/14/08/44/704140844.db2.gz VZXXSKMWMPLWEO-WBVHZDCISA-N 2 1 348.516 1.826 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001033083174 704140845 /nfs/dbraw/zinc/14/08/45/704140845.db2.gz VZXXSKMWMPLWEO-WBVHZDCISA-N 2 1 348.516 1.826 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033083472 704141581 /nfs/dbraw/zinc/14/15/81/704141581.db2.gz XKDLDWHOKMLMHV-MSOLQXFVSA-N 2 1 346.450 1.595 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033083472 704141583 /nfs/dbraw/zinc/14/15/83/704141583.db2.gz XKDLDWHOKMLMHV-MSOLQXFVSA-N 2 1 346.450 1.595 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cnc(C)cn3)C2)CC[N@@H+]1C ZINC001033099639 704222499 /nfs/dbraw/zinc/22/24/99/704222499.db2.gz QJRBEGNFUAGLDZ-FGTMMUONSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cnc(C)cn3)C2)CC[N@H+]1C ZINC001033099639 704222501 /nfs/dbraw/zinc/22/25/01/704222501.db2.gz QJRBEGNFUAGLDZ-FGTMMUONSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnc(C)cn3)C2)CC[NH+]1C ZINC001033099639 704222502 /nfs/dbraw/zinc/22/25/02/704222502.db2.gz QJRBEGNFUAGLDZ-FGTMMUONSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)CC[NH+]1C ZINC001033099639 704222504 /nfs/dbraw/zinc/22/25/04/704222504.db2.gz QJRBEGNFUAGLDZ-FGTMMUONSA-N 2 1 345.491 1.548 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592299 704242745 /nfs/dbraw/zinc/24/27/45/704242745.db2.gz GUABXZVRVRQEFO-RDGPPVDQSA-N 2 1 349.519 1.678 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946592299 704242748 /nfs/dbraw/zinc/24/27/48/704242748.db2.gz GUABXZVRVRQEFO-RDGPPVDQSA-N 2 1 349.519 1.678 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946592299 704242749 /nfs/dbraw/zinc/24/27/49/704242749.db2.gz GUABXZVRVRQEFO-RDGPPVDQSA-N 2 1 349.519 1.678 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2Cc2cnon2)CC1 ZINC001004367586 704334906 /nfs/dbraw/zinc/33/49/06/704334906.db2.gz DXXFASOXBNTZRY-IRXDYDNUSA-N 2 1 347.463 1.367 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2Cc2cnon2)CC1 ZINC001004367586 704334908 /nfs/dbraw/zinc/33/49/08/704334908.db2.gz DXXFASOXBNTZRY-IRXDYDNUSA-N 2 1 347.463 1.367 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2Cc2cnon2)CC1 ZINC001004367586 704334911 /nfs/dbraw/zinc/33/49/11/704334911.db2.gz DXXFASOXBNTZRY-IRXDYDNUSA-N 2 1 347.463 1.367 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC3CCC3)CC2)C1 ZINC001004383482 704362375 /nfs/dbraw/zinc/36/23/75/704362375.db2.gz YWDZXHWLQZHTHW-RTBURBONSA-N 2 1 349.519 1.820 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC3CCC3)CC2)C1 ZINC001004383482 704362378 /nfs/dbraw/zinc/36/23/78/704362378.db2.gz YWDZXHWLQZHTHW-RTBURBONSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC3CCC3)CC2)C1 ZINC001004383482 704362381 /nfs/dbraw/zinc/36/23/81/704362381.db2.gz YWDZXHWLQZHTHW-RTBURBONSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC3CCC3)CC2)C1 ZINC001004383482 704362384 /nfs/dbraw/zinc/36/23/84/704362384.db2.gz YWDZXHWLQZHTHW-RTBURBONSA-N 2 1 349.519 1.820 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004456860 704450233 /nfs/dbraw/zinc/45/02/33/704450233.db2.gz INTKRFWWSGIFQM-SJORKVTESA-N 2 1 346.475 1.456 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004456860 704450234 /nfs/dbraw/zinc/45/02/34/704450234.db2.gz INTKRFWWSGIFQM-SJORKVTESA-N 2 1 346.475 1.456 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004461236 704455115 /nfs/dbraw/zinc/45/51/15/704455115.db2.gz ZKWWPSLFUSSGNQ-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001004461236 704455117 /nfs/dbraw/zinc/45/51/17/704455117.db2.gz ZKWWPSLFUSSGNQ-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001004461236 704455119 /nfs/dbraw/zinc/45/51/19/704455119.db2.gz ZKWWPSLFUSSGNQ-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCC3CCCC3)C(C)(C)C2)C1 ZINC000995593872 704560436 /nfs/dbraw/zinc/56/04/36/704560436.db2.gz BLJKPHZLDRIWSB-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCC3CCCC3)C(C)(C)C2)C1 ZINC000995593872 704560437 /nfs/dbraw/zinc/56/04/37/704560437.db2.gz BLJKPHZLDRIWSB-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)C1 ZINC000995604745 704568072 /nfs/dbraw/zinc/56/80/72/704568072.db2.gz MROXIDVCGSRLAF-UONOGXRCSA-N 2 1 345.434 1.189 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)C1 ZINC000995604745 704568075 /nfs/dbraw/zinc/56/80/75/704568075.db2.gz MROXIDVCGSRLAF-UONOGXRCSA-N 2 1 345.434 1.189 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1ccccn1 ZINC000947934201 704608656 /nfs/dbraw/zinc/60/86/56/704608656.db2.gz JQGYNZLNNVUUIA-HZPDHXFCSA-N 2 1 328.460 1.647 20 0 EDADMP CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001040455072 704657939 /nfs/dbraw/zinc/65/79/39/704657939.db2.gz ZDUQOIMXSUXPTH-HXUWFJFHSA-N 2 1 349.519 1.989 20 0 EDADMP CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001040455072 704657941 /nfs/dbraw/zinc/65/79/41/704657941.db2.gz ZDUQOIMXSUXPTH-HXUWFJFHSA-N 2 1 349.519 1.989 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCCO1)[NH+]1CCCC1 ZINC001032557189 704730962 /nfs/dbraw/zinc/73/09/62/704730962.db2.gz ADYMQESLWQPWPJ-ULQDDVLXSA-N 2 1 335.492 1.715 20 0 EDADMP CCOC1CC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001032557225 704731117 /nfs/dbraw/zinc/73/11/17/704731117.db2.gz CGUDMYRGVNPNEP-SAGYGOJTSA-N 2 1 349.519 1.961 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997840139 704756433 /nfs/dbraw/zinc/75/64/33/704756433.db2.gz MSBWQZLCPTZNFI-MSOLQXFVSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000997860887 704771499 /nfs/dbraw/zinc/77/14/99/704771499.db2.gz CUPLUSPIZNBTJP-CZUORRHYSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC000997865215 704772463 /nfs/dbraw/zinc/77/24/63/704772463.db2.gz MJBXZVRJTIXDFQ-KRWDZBQOSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2cncc(C)c2)CC1 ZINC000997916437 704982329 /nfs/dbraw/zinc/98/23/29/704982329.db2.gz UHCGOVMJOUTYKM-UHFFFAOYSA-N 2 1 341.459 1.923 20 0 EDADMP Cc1ncc2n1C[C@@H](C(=O)N1C[C@@H]3C[C@H]1C[N@H+]3CCC1CC1)CC2 ZINC001032590876 705176293 /nfs/dbraw/zinc/17/62/93/705176293.db2.gz CAHKBILAQHMQLG-SZMVWBNQSA-N 2 1 328.460 1.839 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H]3C[C@H]1C[N@@H+]3CCC1CC1)CC2 ZINC001032590876 705176294 /nfs/dbraw/zinc/17/62/94/705176294.db2.gz CAHKBILAQHMQLG-SZMVWBNQSA-N 2 1 328.460 1.839 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000998080870 705300365 /nfs/dbraw/zinc/30/03/65/705300365.db2.gz FFLHRNOUTCGQLP-GDBMZVCRSA-N 2 1 331.464 1.003 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)no1 ZINC000998080919 705300717 /nfs/dbraw/zinc/30/07/17/705300717.db2.gz FWEFXLJNHFIXGA-CQSZACIVSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000998082498 705310122 /nfs/dbraw/zinc/31/01/22/705310122.db2.gz PZZLIQYQGURSJV-FUHWJXTLSA-N 2 1 337.508 1.726 20 0 EDADMP CCn1ccnc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000998083033 705310938 /nfs/dbraw/zinc/31/09/38/705310938.db2.gz SZQSHTKEZIRKDA-INIZCTEOSA-N 2 1 347.507 1.573 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC000998186674 705490142 /nfs/dbraw/zinc/49/01/42/705490142.db2.gz BQCBYVIVJJYXJI-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000998186674 705490144 /nfs/dbraw/zinc/49/01/44/705490144.db2.gz BQCBYVIVJJYXJI-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@H]1CCC[NH+](CC2CC2)CC1 ZINC000998186674 705490149 /nfs/dbraw/zinc/49/01/49/705490149.db2.gz BQCBYVIVJJYXJI-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@H]1CCC[NH+](CC2CC2)CC1 ZINC000998186674 705490153 /nfs/dbraw/zinc/49/01/53/705490153.db2.gz BQCBYVIVJJYXJI-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CCc1cnc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000998217681 705540087 /nfs/dbraw/zinc/54/00/87/705540087.db2.gz QSOZQZAZXBPWPX-MRXNPFEDSA-N 2 1 348.491 1.907 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]Cc3nccs3)CC2)C1 ZINC000998218013 705540980 /nfs/dbraw/zinc/54/09/80/705540980.db2.gz VVRCSEOLVMMXNF-OAHLLOKOSA-N 2 1 336.505 1.813 20 0 EDADMP Cn1ccnc1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998218309 705541141 /nfs/dbraw/zinc/54/11/41/705541141.db2.gz ZUNYPIJQRCMBDP-INIZCTEOSA-N 2 1 333.480 1.090 20 0 EDADMP CCc1onc(C)c1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998266835 705635870 /nfs/dbraw/zinc/63/58/70/705635870.db2.gz RSAKOUAAZFDLRM-MRXNPFEDSA-N 2 1 348.491 1.825 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cn(C)nn2)CC1 ZINC000998290485 705691162 /nfs/dbraw/zinc/69/11/62/705691162.db2.gz URUBRAJFVKYTFL-KRWDZBQOSA-N 2 1 348.495 1.018 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccccc1 ZINC001032626869 705728362 /nfs/dbraw/zinc/72/83/62/705728362.db2.gz NELPTHQSAQHIJF-NEWSRXKRSA-N 2 1 327.472 1.999 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccccc1 ZINC001032626869 705728365 /nfs/dbraw/zinc/72/83/65/705728365.db2.gz NELPTHQSAQHIJF-NEWSRXKRSA-N 2 1 327.472 1.999 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccccc1 ZINC001032626869 705728368 /nfs/dbraw/zinc/72/83/68/705728368.db2.gz NELPTHQSAQHIJF-NEWSRXKRSA-N 2 1 327.472 1.999 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000998728125 706158267 /nfs/dbraw/zinc/15/82/67/706158267.db2.gz BPVSJKOPYFIWLP-WMLDXEAASA-N 2 1 332.448 1.727 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000998735104 706169099 /nfs/dbraw/zinc/16/90/99/706169099.db2.gz YUNDBEJFWDGBLZ-PBHICJAKSA-N 2 1 331.464 1.004 20 0 EDADMP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998824368 706271147 /nfs/dbraw/zinc/27/11/47/706271147.db2.gz KDSDYEWSGSKYOR-AEFFLSMTSA-N 2 1 347.459 1.106 20 0 EDADMP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998824368 706271150 /nfs/dbraw/zinc/27/11/50/706271150.db2.gz KDSDYEWSGSKYOR-AEFFLSMTSA-N 2 1 347.459 1.106 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC000998827109 706273814 /nfs/dbraw/zinc/27/38/14/706273814.db2.gz QKUFKHWQCXFXOQ-IAGOWNOFSA-N 2 1 335.492 1.478 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC000998827109 706273817 /nfs/dbraw/zinc/27/38/17/706273817.db2.gz QKUFKHWQCXFXOQ-IAGOWNOFSA-N 2 1 335.492 1.478 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(C)nc2C)C1 ZINC000998865988 706295545 /nfs/dbraw/zinc/29/55/45/706295545.db2.gz JCBRQZDDWAAXDE-ABHNRTSZSA-N 2 1 347.507 1.682 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000999036887 706451985 /nfs/dbraw/zinc/45/19/85/706451985.db2.gz XPXOSBFEFWJAFO-DAWZGUTISA-N 2 1 347.507 1.583 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000999122825 706547989 /nfs/dbraw/zinc/54/79/89/706547989.db2.gz AFTKUAFTLXWFHA-ABHNRTSZSA-N 2 1 348.491 1.712 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2cnc(C)cn2)C1 ZINC000999125994 706549985 /nfs/dbraw/zinc/54/99/85/706549985.db2.gz KSDITODMDZFHLZ-UHFFFAOYSA-N 2 1 328.420 1.069 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000999340518 706839996 /nfs/dbraw/zinc/83/99/96/706839996.db2.gz AJZSWPOOQQLGOL-UHFFFAOYSA-N 2 1 346.475 1.973 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999355825 706845162 /nfs/dbraw/zinc/84/51/62/706845162.db2.gz XVQYUADLIUUYTG-GDBMZVCRSA-N 2 1 335.452 1.413 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999355825 706845164 /nfs/dbraw/zinc/84/51/64/706845164.db2.gz XVQYUADLIUUYTG-GDBMZVCRSA-N 2 1 335.452 1.413 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC000999362547 706876131 /nfs/dbraw/zinc/87/61/31/706876131.db2.gz BDUQKZKLFATOAI-RDJZCZTQSA-N 2 1 348.495 1.280 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000999399264 706893748 /nfs/dbraw/zinc/89/37/48/706893748.db2.gz GQZHFFJXPNWKJQ-WMZOPIPTSA-N 2 1 345.491 1.740 20 0 EDADMP CCn1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000999400386 706895267 /nfs/dbraw/zinc/89/52/67/706895267.db2.gz KUCBYKOXDBYHEE-WBVHZDCISA-N 2 1 348.495 1.253 20 0 EDADMP CCn1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC000999400386 706895269 /nfs/dbraw/zinc/89/52/69/706895269.db2.gz KUCBYKOXDBYHEE-WBVHZDCISA-N 2 1 348.495 1.253 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]CC3CC(F)(F)C3)C2)C1 ZINC000999409130 706918965 /nfs/dbraw/zinc/91/89/65/706918965.db2.gz ORVMEQOJOHKLOP-GRTSSRMGSA-N 2 1 329.435 1.953 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999512456 707011132 /nfs/dbraw/zinc/01/11/32/707011132.db2.gz PUOCBRFYHGJEEI-JKSUJKDBSA-N 2 1 348.495 1.171 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999512456 707011133 /nfs/dbraw/zinc/01/11/33/707011133.db2.gz PUOCBRFYHGJEEI-JKSUJKDBSA-N 2 1 348.495 1.171 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999515720 707015027 /nfs/dbraw/zinc/01/50/27/707015027.db2.gz YOLUNLKIRDOLLY-IAGOWNOFSA-N 2 1 333.480 1.293 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)s2)C1)[NH+](C)C ZINC000999490130 707026478 /nfs/dbraw/zinc/02/64/78/707026478.db2.gz PBKVLQNNWGJHNX-CHWSQXEVSA-N 2 1 325.482 1.267 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC000999575949 707083030 /nfs/dbraw/zinc/08/30/30/707083030.db2.gz RTPBYVZELVVJRA-IAGOWNOFSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000999601178 707103024 /nfs/dbraw/zinc/10/30/24/707103024.db2.gz HTGYGNNKANLBDP-IUDNXUCKSA-N 2 1 349.479 1.750 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)sn1 ZINC000999730346 707274004 /nfs/dbraw/zinc/27/40/04/707274004.db2.gz YCLZIBMAYGRBTD-AWEZNQCLSA-N 2 1 333.461 1.737 20 0 EDADMP C[C@H](C[NH2+]Cc1csc(-c2ccn(C)n2)n1)CN1CC[NH+](C)CC1 ZINC000921686494 707286868 /nfs/dbraw/zinc/28/68/68/707286868.db2.gz SZXARIJOGHRXPZ-CQSZACIVSA-N 2 1 348.520 1.517 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001033278693 707345480 /nfs/dbraw/zinc/34/54/80/707345480.db2.gz PUXCONXGPJVJNU-SDFDVQBQSA-N 2 1 339.867 1.135 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001033278693 707345483 /nfs/dbraw/zinc/34/54/83/707345483.db2.gz PUXCONXGPJVJNU-SDFDVQBQSA-N 2 1 339.867 1.135 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC001033278693 707345488 /nfs/dbraw/zinc/34/54/88/707345488.db2.gz PUXCONXGPJVJNU-SDFDVQBQSA-N 2 1 339.867 1.135 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC001033278693 707345493 /nfs/dbraw/zinc/34/54/93/707345493.db2.gz PUXCONXGPJVJNU-SDFDVQBQSA-N 2 1 339.867 1.135 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297754 707434239 /nfs/dbraw/zinc/43/42/39/707434239.db2.gz SYLXKAZZAXCNFU-AEFFLSMTSA-N 2 1 347.503 1.972 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199756 707452776 /nfs/dbraw/zinc/45/27/76/707452776.db2.gz XURPFAMRYNLGJG-IAGOWNOFSA-N 2 1 333.480 1.246 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199756 707452780 /nfs/dbraw/zinc/45/27/80/707452780.db2.gz XURPFAMRYNLGJG-IAGOWNOFSA-N 2 1 333.480 1.246 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033199756 707452785 /nfs/dbraw/zinc/45/27/85/707452785.db2.gz XURPFAMRYNLGJG-IAGOWNOFSA-N 2 1 333.480 1.246 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033199756 707452790 /nfs/dbraw/zinc/45/27/90/707452790.db2.gz XURPFAMRYNLGJG-IAGOWNOFSA-N 2 1 333.480 1.246 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199757 707452870 /nfs/dbraw/zinc/45/28/70/707452870.db2.gz XURPFAMRYNLGJG-IRXDYDNUSA-N 2 1 333.480 1.246 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199757 707452873 /nfs/dbraw/zinc/45/28/73/707452873.db2.gz XURPFAMRYNLGJG-IRXDYDNUSA-N 2 1 333.480 1.246 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033199757 707452879 /nfs/dbraw/zinc/45/28/79/707452879.db2.gz XURPFAMRYNLGJG-IRXDYDNUSA-N 2 1 333.480 1.246 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033199757 707452881 /nfs/dbraw/zinc/45/28/81/707452881.db2.gz XURPFAMRYNLGJG-IRXDYDNUSA-N 2 1 333.480 1.246 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nn(C)cc2Cl)C1 ZINC000999831251 707458512 /nfs/dbraw/zinc/45/85/12/707458512.db2.gz JPFQTIPMSXOQKT-PNESKVBLSA-N 2 1 339.871 1.104 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nn(C)cc2Cl)C1 ZINC000999831251 707458515 /nfs/dbraw/zinc/45/85/15/707458515.db2.gz JPFQTIPMSXOQKT-PNESKVBLSA-N 2 1 339.871 1.104 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnsn2)C1 ZINC000999875753 707522613 /nfs/dbraw/zinc/52/26/13/707522613.db2.gz ANNZUIIJAZABGB-PESDSKBTSA-N 2 1 337.493 1.492 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnsn2)C1 ZINC000999875753 707522616 /nfs/dbraw/zinc/52/26/16/707522616.db2.gz ANNZUIIJAZABGB-PESDSKBTSA-N 2 1 337.493 1.492 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819187 707585049 /nfs/dbraw/zinc/58/50/49/707585049.db2.gz WAVDFOCZRNLYGS-HCXYKTFWSA-N 2 1 349.519 1.820 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946819187 707585051 /nfs/dbraw/zinc/58/50/51/707585051.db2.gz WAVDFOCZRNLYGS-HCXYKTFWSA-N 2 1 349.519 1.820 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946819187 707585055 /nfs/dbraw/zinc/58/50/55/707585055.db2.gz WAVDFOCZRNLYGS-HCXYKTFWSA-N 2 1 349.519 1.820 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC001060894312 707641857 /nfs/dbraw/zinc/64/18/57/707641857.db2.gz JEXTWXBUIZTIMW-HZPDHXFCSA-N 2 1 345.491 1.950 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC001060894312 707641861 /nfs/dbraw/zinc/64/18/61/707641861.db2.gz JEXTWXBUIZTIMW-HZPDHXFCSA-N 2 1 345.491 1.950 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001033358953 707683965 /nfs/dbraw/zinc/68/39/65/707683965.db2.gz RUDYNZRNJOWZIC-SZMVWBNQSA-N 2 1 347.507 1.226 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCc3cnn(C)c3)C2)CC[NH+]1C ZINC001033358953 707683968 /nfs/dbraw/zinc/68/39/68/707683968.db2.gz RUDYNZRNJOWZIC-SZMVWBNQSA-N 2 1 347.507 1.226 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCc3cnn(C)c3)C2)CC[NH+]1C ZINC001033358953 707683972 /nfs/dbraw/zinc/68/39/72/707683972.db2.gz RUDYNZRNJOWZIC-SZMVWBNQSA-N 2 1 347.507 1.226 20 0 EDADMP CCc1cc(NC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)nc(C)[nH+]1 ZINC001060899336 707691925 /nfs/dbraw/zinc/69/19/25/707691925.db2.gz DOTPOWSQAKZPSU-GOEBONIOSA-N 2 1 333.480 1.948 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)nc(C)[nH+]1 ZINC001060899338 707692171 /nfs/dbraw/zinc/69/21/71/707692171.db2.gz DOTPOWSQAKZPSU-ZBFHGGJFSA-N 2 1 333.480 1.948 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+](C[C@H]4CCOC4)CC3)CC2)CC[N@H+]1C ZINC001000161802 707785841 /nfs/dbraw/zinc/78/58/41/707785841.db2.gz PCCKFUQMCJUJOZ-JFIYKMOQSA-N 2 1 349.519 1.724 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420464 707830463 /nfs/dbraw/zinc/83/04/63/707830463.db2.gz PKZLHDMICJEYKE-HOCLYGCPSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420464 707830468 /nfs/dbraw/zinc/83/04/68/707830468.db2.gz PKZLHDMICJEYKE-HOCLYGCPSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033420464 707830472 /nfs/dbraw/zinc/83/04/72/707830472.db2.gz PKZLHDMICJEYKE-HOCLYGCPSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033420464 707830476 /nfs/dbraw/zinc/83/04/76/707830476.db2.gz PKZLHDMICJEYKE-HOCLYGCPSA-N 2 1 334.464 1.612 20 0 EDADMP CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038537379 707851121 /nfs/dbraw/zinc/85/11/21/707851121.db2.gz QVQWVLQLOCXDTQ-ISXWCOSWSA-N 2 1 335.492 1.476 20 0 EDADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038537379 707851124 /nfs/dbraw/zinc/85/11/24/707851124.db2.gz QVQWVLQLOCXDTQ-ISXWCOSWSA-N 2 1 335.492 1.476 20 0 EDADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038537379 707851128 /nfs/dbraw/zinc/85/11/28/707851128.db2.gz QVQWVLQLOCXDTQ-ISXWCOSWSA-N 2 1 335.492 1.476 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033230106 707889413 /nfs/dbraw/zinc/88/94/13/707889413.db2.gz ZJMZWWKLYHQGCH-INIZCTEOSA-N 2 1 331.464 1.081 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033230106 707889416 /nfs/dbraw/zinc/88/94/16/707889416.db2.gz ZJMZWWKLYHQGCH-INIZCTEOSA-N 2 1 331.464 1.081 20 0 EDADMP CC(C)=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536032 707891991 /nfs/dbraw/zinc/89/19/91/707891991.db2.gz FGSNIQAIPIYONA-KSZLIROESA-N 2 1 335.492 1.454 20 0 EDADMP CC(C)=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536032 707891994 /nfs/dbraw/zinc/89/19/94/707891994.db2.gz FGSNIQAIPIYONA-KSZLIROESA-N 2 1 335.492 1.454 20 0 EDADMP CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536032 707891997 /nfs/dbraw/zinc/89/19/97/707891997.db2.gz FGSNIQAIPIYONA-KSZLIROESA-N 2 1 335.492 1.454 20 0 EDADMP CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536032 707891999 /nfs/dbraw/zinc/89/19/99/707891999.db2.gz FGSNIQAIPIYONA-KSZLIROESA-N 2 1 335.492 1.454 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033468111 707927417 /nfs/dbraw/zinc/92/74/17/707927417.db2.gz VGEPVXTVJBZANZ-KRWDZBQOSA-N 2 1 348.491 1.966 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033468111 707927421 /nfs/dbraw/zinc/92/74/21/707927421.db2.gz VGEPVXTVJBZANZ-KRWDZBQOSA-N 2 1 348.491 1.966 20 0 EDADMP CCc1nc(NC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cc(C)[nH+]1 ZINC001060933689 707952372 /nfs/dbraw/zinc/95/23/72/707952372.db2.gz RFIPCFSYONPOIW-KBXCAEBGSA-N 2 1 345.491 1.948 20 0 EDADMP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001032781959 707971796 /nfs/dbraw/zinc/97/17/96/707971796.db2.gz OVIPRUSZDIOBFW-ULQDDVLXSA-N 2 1 329.444 1.432 20 0 EDADMP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001032781959 707971798 /nfs/dbraw/zinc/97/17/98/707971798.db2.gz OVIPRUSZDIOBFW-ULQDDVLXSA-N 2 1 329.444 1.432 20 0 EDADMP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001032781959 707971800 /nfs/dbraw/zinc/97/18/00/707971800.db2.gz OVIPRUSZDIOBFW-ULQDDVLXSA-N 2 1 329.444 1.432 20 0 EDADMP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001032781959 707971802 /nfs/dbraw/zinc/97/18/02/707971802.db2.gz OVIPRUSZDIOBFW-ULQDDVLXSA-N 2 1 329.444 1.432 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC001000377925 708003518 /nfs/dbraw/zinc/00/35/18/708003518.db2.gz LOGMWKPRZXWOIB-GOEBONIOSA-N 2 1 335.452 1.413 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC001000377925 708003520 /nfs/dbraw/zinc/00/35/20/708003520.db2.gz LOGMWKPRZXWOIB-GOEBONIOSA-N 2 1 335.452 1.413 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001000920755 708076662 /nfs/dbraw/zinc/07/66/62/708076662.db2.gz WNHBUUQPPSXLBT-JKSUJKDBSA-N 2 1 332.448 1.123 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033574951 708249169 /nfs/dbraw/zinc/24/91/69/708249169.db2.gz NYYOVAPHRWKDDP-MAUKXSAKSA-N 2 1 337.508 1.676 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1CC[NH+](CCCF)CC1)CC2 ZINC001001774672 708267574 /nfs/dbraw/zinc/26/75/74/708267574.db2.gz XFVGHPXNEVGRMD-MRXNPFEDSA-N 2 1 336.455 1.942 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC[NH+](C[C@@H](C)OC)CC2)C1 ZINC001001751755 708274188 /nfs/dbraw/zinc/27/41/88/708274188.db2.gz ORWVGBYGIBFZAY-SJLPKXTDSA-N 2 1 339.524 1.972 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001033586624 708277130 /nfs/dbraw/zinc/27/71/30/708277130.db2.gz XZUFWXVRXJPGNY-JKSUJKDBSA-N 2 1 346.475 1.863 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001033586624 708277134 /nfs/dbraw/zinc/27/71/34/708277134.db2.gz XZUFWXVRXJPGNY-JKSUJKDBSA-N 2 1 346.475 1.863 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC001033593384 708293155 /nfs/dbraw/zinc/29/31/55/708293155.db2.gz LWROPQSXPVVHLZ-KRWDZBQOSA-N 2 1 345.462 1.997 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001033594509 708296993 /nfs/dbraw/zinc/29/69/93/708296993.db2.gz QTJVWOKVQOFSFZ-QGZVFWFLSA-N 2 1 345.491 1.128 20 0 EDADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001033595049 708297896 /nfs/dbraw/zinc/29/78/96/708297896.db2.gz PYHMNXZNQLYGQR-GOEBONIOSA-N 2 1 346.475 1.927 20 0 EDADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001033595049 708297898 /nfs/dbraw/zinc/29/78/98/708297898.db2.gz PYHMNXZNQLYGQR-GOEBONIOSA-N 2 1 346.475 1.927 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001033595049 708297900 /nfs/dbraw/zinc/29/79/00/708297900.db2.gz PYHMNXZNQLYGQR-GOEBONIOSA-N 2 1 346.475 1.927 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001033595049 708297902 /nfs/dbraw/zinc/29/79/02/708297902.db2.gz PYHMNXZNQLYGQR-GOEBONIOSA-N 2 1 346.475 1.927 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033595432 708299245 /nfs/dbraw/zinc/29/92/45/708299245.db2.gz TZTXPPYCVNNGDK-KGLIPLIRSA-N 2 1 343.418 1.039 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001033585376 708312780 /nfs/dbraw/zinc/31/27/80/708312780.db2.gz HQKRCUSIQUJRPO-JKSUJKDBSA-N 2 1 346.475 1.863 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001033585376 708312784 /nfs/dbraw/zinc/31/27/84/708312784.db2.gz HQKRCUSIQUJRPO-JKSUJKDBSA-N 2 1 346.475 1.863 20 0 EDADMP Cc1nsc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033665813 708449488 /nfs/dbraw/zinc/44/94/88/708449488.db2.gz RRKIDQSSRBYWTP-HUUCEWRRSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033665813 708449490 /nfs/dbraw/zinc/44/94/90/708449490.db2.gz RRKIDQSSRBYWTP-HUUCEWRRSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033665813 708449492 /nfs/dbraw/zinc/44/94/92/708449492.db2.gz RRKIDQSSRBYWTP-HUUCEWRRSA-N 2 1 336.505 1.744 20 0 EDADMP COc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033666527 708451445 /nfs/dbraw/zinc/45/14/45/708451445.db2.gz XELFVOPYVAQQEA-CVEARBPZSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033666527 708451446 /nfs/dbraw/zinc/45/14/46/708451446.db2.gz XELFVOPYVAQQEA-CVEARBPZSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033666527 708451450 /nfs/dbraw/zinc/45/14/50/708451450.db2.gz XELFVOPYVAQQEA-CVEARBPZSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033666527 708451453 /nfs/dbraw/zinc/45/14/53/708451453.db2.gz XELFVOPYVAQQEA-CVEARBPZSA-N 2 1 332.448 1.075 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684339 708496207 /nfs/dbraw/zinc/49/62/07/708496207.db2.gz MXICVSBGJRVAPH-CRAIPNDOSA-N 2 1 333.476 1.929 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(Cc2cccc(OC)n2)C1 ZINC001033772646 708670743 /nfs/dbraw/zinc/67/07/43/708670743.db2.gz AUCXUPPCWSBDFZ-IAGOWNOFSA-N 2 1 346.475 1.607 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cccc(OC)n2)C1 ZINC001033772646 708670744 /nfs/dbraw/zinc/67/07/44/708670744.db2.gz AUCXUPPCWSBDFZ-IAGOWNOFSA-N 2 1 346.475 1.607 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cccc(OC)n2)C1 ZINC001033772646 708670745 /nfs/dbraw/zinc/67/07/45/708670745.db2.gz AUCXUPPCWSBDFZ-IAGOWNOFSA-N 2 1 346.475 1.607 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cccc(OC)n2)C1 ZINC001033772646 708670746 /nfs/dbraw/zinc/67/07/46/708670746.db2.gz AUCXUPPCWSBDFZ-IAGOWNOFSA-N 2 1 346.475 1.607 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033831131 708853052 /nfs/dbraw/zinc/85/30/52/708853052.db2.gz TUEOXZOHTSXDFU-MOPGFXCFSA-N 2 1 342.487 1.846 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ccccn3)CC2)CC[N@H+]1C ZINC001005413958 708930414 /nfs/dbraw/zinc/93/04/14/708930414.db2.gz WDTUYPXDHBEOIE-CRAIPNDOSA-N 2 1 330.476 1.845 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCOc2ccccc2F)CC1 ZINC001002477198 709014218 /nfs/dbraw/zinc/01/42/18/709014218.db2.gz XVPGMQOSFRMXIC-QGZVFWFLSA-N 2 1 349.450 1.879 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033928491 709060697 /nfs/dbraw/zinc/06/06/97/709060697.db2.gz ZDXPVZNRVGKWIP-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033928491 709060699 /nfs/dbraw/zinc/06/06/99/709060699.db2.gz ZDXPVZNRVGKWIP-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033928491 709060703 /nfs/dbraw/zinc/06/07/03/709060703.db2.gz ZDXPVZNRVGKWIP-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033938548 709142910 /nfs/dbraw/zinc/14/29/10/709142910.db2.gz YGQTUTNAVOYRRV-BZSNNMDCSA-N 2 1 347.507 1.536 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033938548 709142914 /nfs/dbraw/zinc/14/29/14/709142914.db2.gz YGQTUTNAVOYRRV-BZSNNMDCSA-N 2 1 347.507 1.536 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033938548 709142918 /nfs/dbraw/zinc/14/29/18/709142918.db2.gz YGQTUTNAVOYRRV-BZSNNMDCSA-N 2 1 347.507 1.536 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001034014002 709228602 /nfs/dbraw/zinc/22/86/02/709228602.db2.gz SSMIRBJBYPFPBG-QGZVFWFLSA-N 2 1 328.460 1.600 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001034014702 709229725 /nfs/dbraw/zinc/22/97/25/709229725.db2.gz CJRDCKRPKVQQOT-IRXDYDNUSA-N 2 1 335.492 1.574 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001005498579 709259048 /nfs/dbraw/zinc/25/90/48/709259048.db2.gz WCEVACCRQUJENX-GDBMZVCRSA-N 2 1 334.464 1.718 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001034039555 709272328 /nfs/dbraw/zinc/27/23/28/709272328.db2.gz KCXMGPGFGUEINX-HUUCEWRRSA-N 2 1 329.435 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001034039555 709272329 /nfs/dbraw/zinc/27/23/29/709272329.db2.gz KCXMGPGFGUEINX-HUUCEWRRSA-N 2 1 329.435 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001034039555 709272330 /nfs/dbraw/zinc/27/23/30/709272330.db2.gz KCXMGPGFGUEINX-HUUCEWRRSA-N 2 1 329.435 1.906 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2cc(OC)ccn2)C1 ZINC001034042538 709292447 /nfs/dbraw/zinc/29/24/47/709292447.db2.gz PSXQJZIMGDSHFB-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc(OC)ccn2)C1 ZINC001034042538 709292448 /nfs/dbraw/zinc/29/24/48/709292448.db2.gz PSXQJZIMGDSHFB-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc(OC)ccn2)C1 ZINC001034042538 709292449 /nfs/dbraw/zinc/29/24/49/709292449.db2.gz PSXQJZIMGDSHFB-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(OC)ccn2)C1 ZINC001034042538 709292450 /nfs/dbraw/zinc/29/24/50/709292450.db2.gz PSXQJZIMGDSHFB-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(OC)ccn2)C1 ZINC001034042538 709292451 /nfs/dbraw/zinc/29/24/51/709292451.db2.gz PSXQJZIMGDSHFB-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC[NH+](CCCO)CC1 ZINC001005503924 709328706 /nfs/dbraw/zinc/32/87/06/709328706.db2.gz LLZNPWOGZRKPJY-QGZVFWFLSA-N 2 1 325.497 1.555 20 0 EDADMP Cn1nc2c(c1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCC2 ZINC000921980612 709348867 /nfs/dbraw/zinc/34/88/67/709348867.db2.gz NRFFHVMWYKITOS-QGZVFWFLSA-N 2 1 340.471 1.765 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CCc3ccccc3)C2)C1 ZINC001034148490 709419517 /nfs/dbraw/zinc/41/95/17/709419517.db2.gz LAIKQIPXDSBUEW-OALUTQOASA-N 2 1 345.487 1.530 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CCc3ccccc3)C2)C1 ZINC001034148490 709419518 /nfs/dbraw/zinc/41/95/18/709419518.db2.gz LAIKQIPXDSBUEW-OALUTQOASA-N 2 1 345.487 1.530 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](CCc3ccccc3)C2)C1 ZINC001034148490 709419519 /nfs/dbraw/zinc/41/95/19/709419519.db2.gz LAIKQIPXDSBUEW-OALUTQOASA-N 2 1 345.487 1.530 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCc3ccccc3)C2)C1 ZINC001034148490 709419520 /nfs/dbraw/zinc/41/95/20/709419520.db2.gz LAIKQIPXDSBUEW-OALUTQOASA-N 2 1 345.487 1.530 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001034149322 709420604 /nfs/dbraw/zinc/42/06/04/709420604.db2.gz VQXOOJIFCRKOHG-ROUUACIJSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001034149322 709420605 /nfs/dbraw/zinc/42/06/05/709420605.db2.gz VQXOOJIFCRKOHG-ROUUACIJSA-N 2 1 349.519 1.868 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](CC3CC4(CCC4)C3)C2)C1 ZINC001034149322 709420606 /nfs/dbraw/zinc/42/06/06/709420606.db2.gz VQXOOJIFCRKOHG-ROUUACIJSA-N 2 1 349.519 1.868 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CC4(CCC4)C3)C2)C1 ZINC001034149322 709420607 /nfs/dbraw/zinc/42/06/07/709420607.db2.gz VQXOOJIFCRKOHG-ROUUACIJSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cn1 ZINC001002835477 709447271 /nfs/dbraw/zinc/44/72/71/709447271.db2.gz XXDUQEZPJMROOJ-GOSISDBHSA-N 2 1 343.475 1.207 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032831309 709494240 /nfs/dbraw/zinc/49/42/40/709494240.db2.gz IYCNOCXQJIBUSQ-BPQIPLTHSA-N 2 1 331.460 1.252 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032831309 709494246 /nfs/dbraw/zinc/49/42/46/709494246.db2.gz IYCNOCXQJIBUSQ-BPQIPLTHSA-N 2 1 331.460 1.252 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032831309 709494250 /nfs/dbraw/zinc/49/42/50/709494250.db2.gz IYCNOCXQJIBUSQ-BPQIPLTHSA-N 2 1 331.460 1.252 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034204268 709526183 /nfs/dbraw/zinc/52/61/83/709526183.db2.gz LHNCCWLJQAYWER-MSOLQXFVSA-N 2 1 347.507 1.727 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCn2cccn2)C1 ZINC001034204268 709526186 /nfs/dbraw/zinc/52/61/86/709526186.db2.gz LHNCCWLJQAYWER-MSOLQXFVSA-N 2 1 347.507 1.727 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCn2cccn2)C1 ZINC001034204268 709526189 /nfs/dbraw/zinc/52/61/89/709526189.db2.gz LHNCCWLJQAYWER-MSOLQXFVSA-N 2 1 347.507 1.727 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CCc3ccnn3C)C2)CC[N@H+]1C ZINC001034215309 709568383 /nfs/dbraw/zinc/56/83/83/709568383.db2.gz XTIOHJRJQUTYDL-SOLBZPMBSA-N 2 1 347.507 1.274 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](CCc3ccnn3C)C2)CC[NH+]1C ZINC001034215309 709568385 /nfs/dbraw/zinc/56/83/85/709568385.db2.gz XTIOHJRJQUTYDL-SOLBZPMBSA-N 2 1 347.507 1.274 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCc3ccnn3C)C2)CC[NH+]1C ZINC001034215309 709568387 /nfs/dbraw/zinc/56/83/87/709568387.db2.gz XTIOHJRJQUTYDL-SOLBZPMBSA-N 2 1 347.507 1.274 20 0 EDADMP CN(C)C(=O)c1cccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000922097941 709668506 /nfs/dbraw/zinc/66/85/06/709668506.db2.gz FASXGKBQRQOVHB-UHFFFAOYSA-N 2 1 332.492 1.504 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC001034310411 709754019 /nfs/dbraw/zinc/75/40/19/709754019.db2.gz XRIYJRNHLCLEFN-KRWDZBQOSA-N 2 1 334.464 1.589 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCOCC2)C1 ZINC001034310411 709754024 /nfs/dbraw/zinc/75/40/24/709754024.db2.gz XRIYJRNHLCLEFN-KRWDZBQOSA-N 2 1 334.464 1.589 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001003010469 709780789 /nfs/dbraw/zinc/78/07/89/709780789.db2.gz GUPTYYKEMXULLZ-KRWDZBQOSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001003010469 709780791 /nfs/dbraw/zinc/78/07/91/709780791.db2.gz GUPTYYKEMXULLZ-KRWDZBQOSA-N 2 1 347.507 1.764 20 0 EDADMP O=C(NC1CC[NH+](CC[C@@H]2CCCO2)CC1)[C@H]1CCCc2[nH+]ccn21 ZINC001003016760 709805267 /nfs/dbraw/zinc/80/52/67/709805267.db2.gz OWGPBYXAKBRSJK-DLBZAZTESA-N 2 1 346.475 1.910 20 0 EDADMP COCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001034365150 709885883 /nfs/dbraw/zinc/88/58/83/709885883.db2.gz QBQWVOXCSWOIGW-CVEARBPZSA-N 2 1 334.464 1.371 20 0 EDADMP COCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034365150 709885888 /nfs/dbraw/zinc/88/58/88/709885888.db2.gz QBQWVOXCSWOIGW-CVEARBPZSA-N 2 1 334.464 1.371 20 0 EDADMP COCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034365150 709885893 /nfs/dbraw/zinc/88/58/93/709885893.db2.gz QBQWVOXCSWOIGW-CVEARBPZSA-N 2 1 334.464 1.371 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCCC[N@H+](C[C@H]2CCOC2)C1 ZINC001034366125 709889737 /nfs/dbraw/zinc/88/97/37/709889737.db2.gz WXQRZEBPPUGLMD-WBVHZDCISA-N 2 1 349.475 1.962 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCCC[N@@H+](C[C@H]2CCOC2)C1 ZINC001034366125 709889742 /nfs/dbraw/zinc/88/97/42/709889742.db2.gz WXQRZEBPPUGLMD-WBVHZDCISA-N 2 1 349.475 1.962 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCOC3CCC3)C2)CC1 ZINC001034387422 709916737 /nfs/dbraw/zinc/91/67/37/709916737.db2.gz YQYZMSDMXBAIJP-KRWDZBQOSA-N 2 1 337.508 1.868 20 0 EDADMP CO[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400025 709943577 /nfs/dbraw/zinc/94/35/77/709943577.db2.gz WSHSBIHKPRRHBQ-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP CO[C@@H](C)C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034400025 709943580 /nfs/dbraw/zinc/94/35/80/709943580.db2.gz WSHSBIHKPRRHBQ-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP CO[C@@H](C)C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034400025 709943584 /nfs/dbraw/zinc/94/35/84/709943584.db2.gz WSHSBIHKPRRHBQ-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)sn1 ZINC001034526155 710177325 /nfs/dbraw/zinc/17/73/25/710177325.db2.gz VAFQIEDRHOXPSM-CABCVRRESA-N 2 1 336.505 1.874 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)sn1 ZINC001034526155 710177327 /nfs/dbraw/zinc/17/73/27/710177327.db2.gz VAFQIEDRHOXPSM-CABCVRRESA-N 2 1 336.505 1.874 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)sn1 ZINC001034526155 710177328 /nfs/dbraw/zinc/17/73/28/710177328.db2.gz VAFQIEDRHOXPSM-CABCVRRESA-N 2 1 336.505 1.874 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)sn1 ZINC001034526155 710177330 /nfs/dbraw/zinc/17/73/30/710177330.db2.gz VAFQIEDRHOXPSM-CABCVRRESA-N 2 1 336.505 1.874 20 0 EDADMP CC[C@H](F)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003331604 710256016 /nfs/dbraw/zinc/25/60/16/710256016.db2.gz HNXGLCIIXOZKAH-NOAVELHRSA-N 2 1 339.455 1.178 20 0 EDADMP O=C(NC1CC[NH+](C/C=C\Cl)CC1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001003333711 710257787 /nfs/dbraw/zinc/25/77/87/710257787.db2.gz SJALKBCQCVAFBS-ZFPPJQFZSA-N 2 1 339.867 1.183 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCO[C@H]3CC3(F)F)C2)CC[N@H+]1C ZINC001032840116 710289167 /nfs/dbraw/zinc/28/91/67/710289167.db2.gz SVPLIYPGUZRPRV-XQLPTFJDSA-N 2 1 345.434 1.331 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CCO[C@H]3CC3(F)F)C2)CC[NH+]1C ZINC001032840116 710289173 /nfs/dbraw/zinc/28/91/73/710289173.db2.gz SVPLIYPGUZRPRV-XQLPTFJDSA-N 2 1 345.434 1.331 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCO[C@H]3CC3(F)F)C2)CC[NH+]1C ZINC001032840116 710289175 /nfs/dbraw/zinc/28/91/75/710289175.db2.gz SVPLIYPGUZRPRV-XQLPTFJDSA-N 2 1 345.434 1.331 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001034654531 710329386 /nfs/dbraw/zinc/32/93/86/710329386.db2.gz YGWWQSIXCNMYHS-XLAORIBOSA-N 2 1 335.492 1.667 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003420616 710335094 /nfs/dbraw/zinc/33/50/94/710335094.db2.gz VQVHANGXNIGDHF-UHFFFAOYSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001003627546 710457531 /nfs/dbraw/zinc/45/75/31/710457531.db2.gz GJDQKUYKVQQKNY-RDJZCZTQSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001034673516 710611319 /nfs/dbraw/zinc/61/13/19/710611319.db2.gz CABIUIHPYFGYTC-JYJNAYRXSA-N 2 1 334.464 1.984 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001005591957 710650149 /nfs/dbraw/zinc/65/01/49/710650149.db2.gz JOUHKLJONGBPOE-MAUKXSAKSA-N 2 1 345.491 1.945 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001005591957 710650152 /nfs/dbraw/zinc/65/01/52/710650152.db2.gz JOUHKLJONGBPOE-MAUKXSAKSA-N 2 1 345.491 1.945 20 0 EDADMP O=C(NC1CC[NH+](CCCF)CC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001003857834 710705218 /nfs/dbraw/zinc/70/52/18/710705218.db2.gz VHJCEAJKJNDEMA-UHFFFAOYSA-N 2 1 331.395 1.821 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034692997 710782481 /nfs/dbraw/zinc/78/24/81/710782481.db2.gz RMDSYMAANUCNSD-SHTZXODSSA-N 2 1 330.436 1.142 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034737572 710950431 /nfs/dbraw/zinc/95/04/31/710950431.db2.gz MUBPCPZGWWTQMI-VQHPVUNQSA-N 2 1 347.507 1.618 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC001034776432 711053358 /nfs/dbraw/zinc/05/33/58/711053358.db2.gz UCUANNBTYGVQSZ-QBPKDAKJSA-N 2 1 345.491 1.896 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001032982786 711107845 /nfs/dbraw/zinc/10/78/45/711107845.db2.gz YASSRWCSZPVGRG-MSOLQXFVSA-N 2 1 349.519 1.820 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001032982786 711107847 /nfs/dbraw/zinc/10/78/47/711107847.db2.gz YASSRWCSZPVGRG-MSOLQXFVSA-N 2 1 349.519 1.820 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001032982786 711107852 /nfs/dbraw/zinc/10/78/52/711107852.db2.gz YASSRWCSZPVGRG-MSOLQXFVSA-N 2 1 349.519 1.820 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001032982786 711107856 /nfs/dbraw/zinc/10/78/56/711107856.db2.gz YASSRWCSZPVGRG-MSOLQXFVSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001005719948 711126629 /nfs/dbraw/zinc/12/66/29/711126629.db2.gz WYJKNHNWBKCMGQ-QGZVFWFLSA-N 2 1 348.491 1.929 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC2CCN(Cc3ccc(F)cn3)CC2)C1 ZINC001003968700 711144155 /nfs/dbraw/zinc/14/41/55/711144155.db2.gz SSRMOENFAUMOKV-AWEZNQCLSA-N 2 1 334.439 1.643 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3ccc(F)cn3)CC2)C1 ZINC001003968700 711144158 /nfs/dbraw/zinc/14/41/58/711144158.db2.gz SSRMOENFAUMOKV-AWEZNQCLSA-N 2 1 334.439 1.643 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3ccc(F)cn3)CC2)C1 ZINC001003968700 711144163 /nfs/dbraw/zinc/14/41/63/711144163.db2.gz SSRMOENFAUMOKV-AWEZNQCLSA-N 2 1 334.439 1.643 20 0 EDADMP CCCn1c(C)nnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001034880976 711280086 /nfs/dbraw/zinc/28/00/86/711280086.db2.gz AIPHNOOWFIWEJX-HZPDHXFCSA-N 2 1 348.495 1.171 20 0 EDADMP CCCn1c(C)nnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001034880976 711280091 /nfs/dbraw/zinc/28/00/91/711280091.db2.gz AIPHNOOWFIWEJX-HZPDHXFCSA-N 2 1 348.495 1.171 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1noc2c1CCCC2 ZINC001034882772 711284589 /nfs/dbraw/zinc/28/45/89/711284589.db2.gz ZPKQMBJHBXIDIM-PBHICJAKSA-N 2 1 346.475 1.728 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1noc2c1CCCC2 ZINC001034882772 711284593 /nfs/dbraw/zinc/28/45/93/711284593.db2.gz ZPKQMBJHBXIDIM-PBHICJAKSA-N 2 1 346.475 1.728 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nocc1C ZINC001034955086 711422431 /nfs/dbraw/zinc/42/24/31/711422431.db2.gz ZUHOEMJXMGWNGA-NVXWUHKLSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nocc1C ZINC001034955086 711422434 /nfs/dbraw/zinc/42/24/34/711422434.db2.gz ZUHOEMJXMGWNGA-NVXWUHKLSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C[C@H]2CCC[N@H+]2C(C)C)[nH]1 ZINC001034958655 711432324 /nfs/dbraw/zinc/43/23/24/711432324.db2.gz LZQZMSMVUGQCTL-HZPDHXFCSA-N 2 1 348.495 1.457 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C[C@H]2CCC[N@@H+]2C(C)C)[nH]1 ZINC001034958655 711432329 /nfs/dbraw/zinc/43/23/29/711432329.db2.gz LZQZMSMVUGQCTL-HZPDHXFCSA-N 2 1 348.495 1.457 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccns2)CC[N@H+]1C ZINC001034940937 711444952 /nfs/dbraw/zinc/44/49/52/711444952.db2.gz HWFBWZMKGJRHHU-VNQPRFMTSA-N 2 1 336.505 1.954 20 0 EDADMP COc1cnc(F)c(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000922390439 711453975 /nfs/dbraw/zinc/45/39/75/711453975.db2.gz MNYKWJRVIXYWNE-CBZIJGRNSA-N 2 1 337.439 1.799 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)C2 ZINC000922390457 711454081 /nfs/dbraw/zinc/45/40/81/711454081.db2.gz MUPICEFTWJMLMA-RJZRQDKASA-N 2 1 346.397 1.998 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000922397541 711473151 /nfs/dbraw/zinc/47/31/51/711473151.db2.gz TUFLUTGFSPHFBN-INIZCTEOSA-N 2 1 346.475 1.663 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004520754 711919881 /nfs/dbraw/zinc/91/98/81/711919881.db2.gz JAGSKCNEFTVVNF-QGZVFWFLSA-N 2 1 349.475 1.650 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC3CC3)CC2)C1 ZINC001004618107 712078354 /nfs/dbraw/zinc/07/83/54/712078354.db2.gz BCWXHRBSARQJGX-RBUKOAKNSA-N 2 1 349.519 1.820 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC3CC3)CC2)C1 ZINC001004618107 712078355 /nfs/dbraw/zinc/07/83/55/712078355.db2.gz BCWXHRBSARQJGX-RBUKOAKNSA-N 2 1 349.519 1.820 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001004618107 712078356 /nfs/dbraw/zinc/07/83/56/712078356.db2.gz BCWXHRBSARQJGX-RBUKOAKNSA-N 2 1 349.519 1.820 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC3CC3)CC2)C1 ZINC001004618107 712078357 /nfs/dbraw/zinc/07/83/57/712078357.db2.gz BCWXHRBSARQJGX-RBUKOAKNSA-N 2 1 349.519 1.820 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cnon3)C[C@H]2CC1 ZINC000946645585 712135429 /nfs/dbraw/zinc/13/54/29/712135429.db2.gz WHINASWJVCYZNG-HLLBOEOZSA-N 2 1 347.463 1.224 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cnon3)C[C@H]2CC1 ZINC000946645585 712135430 /nfs/dbraw/zinc/13/54/30/712135430.db2.gz WHINASWJVCYZNG-HLLBOEOZSA-N 2 1 347.463 1.224 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cnon3)C[C@H]2CC1 ZINC000946645585 712135431 /nfs/dbraw/zinc/13/54/31/712135431.db2.gz WHINASWJVCYZNG-HLLBOEOZSA-N 2 1 347.463 1.224 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](C)CC1 ZINC000558053842 306235449 /nfs/dbraw/zinc/23/54/49/306235449.db2.gz MPVRMKZXBPLQTQ-MJGOQNOKSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](C)CC1 ZINC000558053842 306235450 /nfs/dbraw/zinc/23/54/50/306235450.db2.gz MPVRMKZXBPLQTQ-MJGOQNOKSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](C)CC1 ZINC000558053842 306235451 /nfs/dbraw/zinc/23/54/51/306235451.db2.gz MPVRMKZXBPLQTQ-MJGOQNOKSA-N 2 1 344.503 1.403 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000126236762 282142610 /nfs/dbraw/zinc/14/26/10/282142610.db2.gz NTKQHRCZKWRVMX-CRAIPNDOSA-N 2 1 340.512 1.395 20 0 EDADMP CCC(CC)[C@H](C(=O)NCCC[N@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000359079123 282254069 /nfs/dbraw/zinc/25/40/69/282254069.db2.gz WZRXLTBFNYMUPN-QGZVFWFLSA-N 2 1 327.513 1.970 20 0 EDADMP CCC(CC)[C@H](C(=O)NCCC[N@@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000359079123 282254070 /nfs/dbraw/zinc/25/40/70/282254070.db2.gz WZRXLTBFNYMUPN-QGZVFWFLSA-N 2 1 327.513 1.970 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CC([NH+](C)Cc3ccccc3)C2)C[C@H](C)O1 ZINC000349111016 539396520 /nfs/dbraw/zinc/39/65/20/539396520.db2.gz VLUPPWBYNPYPDC-QKLQHJQFSA-N 2 1 347.503 1.273 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN2CC([N@H+](C)Cc3ccccc3)C2)C[C@H](C)O1 ZINC000349111016 539396524 /nfs/dbraw/zinc/39/65/24/539396524.db2.gz VLUPPWBYNPYPDC-QKLQHJQFSA-N 2 1 347.503 1.273 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN2CC([N@@H+](C)Cc3ccccc3)C2)C[C@H](C)O1 ZINC000349111016 539396530 /nfs/dbraw/zinc/39/65/30/539396530.db2.gz VLUPPWBYNPYPDC-QKLQHJQFSA-N 2 1 347.503 1.273 20 0 EDADMP C[NH+](C)CCCCC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000560696838 306277626 /nfs/dbraw/zinc/27/76/26/306277626.db2.gz OCYXONMCXZABAG-QGZVFWFLSA-N 2 1 346.475 1.807 20 0 EDADMP C[NH+](C)CCCCC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000560696838 306277627 /nfs/dbraw/zinc/27/76/27/306277627.db2.gz OCYXONMCXZABAG-QGZVFWFLSA-N 2 1 346.475 1.807 20 0 EDADMP CN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000560747003 306278511 /nfs/dbraw/zinc/27/85/11/306278511.db2.gz JDUZTOFADZPRPO-DLBZAZTESA-N 2 1 337.533 1.899 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)C[C@H]12 ZINC000333948092 539661688 /nfs/dbraw/zinc/66/16/88/539661688.db2.gz WBWFYUBDEPNBOG-AEGPPILISA-N 2 1 334.489 1.485 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)C[C@H]12 ZINC000333948092 539661692 /nfs/dbraw/zinc/66/16/92/539661692.db2.gz WBWFYUBDEPNBOG-AEGPPILISA-N 2 1 334.489 1.485 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000151063504 539735870 /nfs/dbraw/zinc/73/58/70/539735870.db2.gz CQAYQTAAUDSUQK-BQFCYCMXSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000151063504 539735873 /nfs/dbraw/zinc/73/58/73/539735873.db2.gz CQAYQTAAUDSUQK-BQFCYCMXSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000151063504 539735876 /nfs/dbraw/zinc/73/58/76/539735876.db2.gz CQAYQTAAUDSUQK-BQFCYCMXSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000151063504 539735878 /nfs/dbraw/zinc/73/58/78/539735878.db2.gz CQAYQTAAUDSUQK-BQFCYCMXSA-N 2 1 348.491 1.525 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000343018154 539777324 /nfs/dbraw/zinc/77/73/24/539777324.db2.gz VRHGIECXXRLNNV-JKSUJKDBSA-N 2 1 340.512 1.070 20 0 EDADMP Cc1nn(C)c2ncc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc12 ZINC000562329036 306295696 /nfs/dbraw/zinc/29/56/96/306295696.db2.gz CEMGHWNKZTVMDL-MSOLQXFVSA-N 2 1 343.475 1.744 20 0 EDADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)c2)CC1 ZINC000346406286 539855356 /nfs/dbraw/zinc/85/53/56/539855356.db2.gz BKNRXYRIYBMGDA-ROUUACIJSA-N 2 1 346.475 1.486 20 0 EDADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)c2)CC1 ZINC000346406286 539855358 /nfs/dbraw/zinc/85/53/58/539855358.db2.gz BKNRXYRIYBMGDA-ROUUACIJSA-N 2 1 346.475 1.486 20 0 EDADMP CCc1cc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000359732069 539993316 /nfs/dbraw/zinc/99/33/16/539993316.db2.gz RMFVWPKMBAEXGT-IBGZPJMESA-N 2 1 326.444 1.818 20 0 EDADMP CCc1cc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000359732069 539993320 /nfs/dbraw/zinc/99/33/20/539993320.db2.gz RMFVWPKMBAEXGT-IBGZPJMESA-N 2 1 326.444 1.818 20 0 EDADMP C[NH+](C[C@@H](O)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000562984354 306314878 /nfs/dbraw/zinc/31/48/78/306314878.db2.gz JNTSHGCGAHURRO-ICSRJNTNSA-N 2 1 331.504 1.596 20 0 EDADMP C[NH+](C[C@@H](O)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000562984354 306314879 /nfs/dbraw/zinc/31/48/79/306314879.db2.gz JNTSHGCGAHURRO-ICSRJNTNSA-N 2 1 331.504 1.596 20 0 EDADMP C[N@@H+](C[C@@H](O)CNC[C@@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000562984354 306314877 /nfs/dbraw/zinc/31/48/77/306314877.db2.gz JNTSHGCGAHURRO-ICSRJNTNSA-N 2 1 331.504 1.596 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000563205668 306323356 /nfs/dbraw/zinc/32/33/56/306323356.db2.gz AOINUAJZZHMTMP-MJGOQNOKSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000339495322 291068950 /nfs/dbraw/zinc/06/89/50/291068950.db2.gz WZEWVEHTPYXFTL-STQMWFEESA-N 2 1 338.496 1.011 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000077827921 138255316 /nfs/dbraw/zinc/25/53/16/138255316.db2.gz RYDWKYQWHNQBGD-SFHVURJKSA-N 2 1 348.491 1.181 20 0 EDADMP C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000563560592 306339041 /nfs/dbraw/zinc/33/90/41/306339041.db2.gz JQTQYVIJJHKZSO-HOTGVXAUSA-N 2 1 346.475 1.411 20 0 EDADMP C[C@H]1[C@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000563591668 306340557 /nfs/dbraw/zinc/34/05/57/306340557.db2.gz YFOAYIIIZUFAGW-ATLSCFEFSA-N 2 1 330.476 1.947 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000563640671 306343611 /nfs/dbraw/zinc/34/36/11/306343611.db2.gz PQMVKLNQEBDSAX-BZUAXINKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000563640671 306343612 /nfs/dbraw/zinc/34/36/12/306343612.db2.gz PQMVKLNQEBDSAX-BZUAXINKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000563640671 306343613 /nfs/dbraw/zinc/34/36/13/306343613.db2.gz PQMVKLNQEBDSAX-BZUAXINKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000564224467 306357595 /nfs/dbraw/zinc/35/75/95/306357595.db2.gz VKTOQMSIBLSUKB-IYBDPMFKSA-N 2 1 335.496 1.543 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)C1 ZINC000564327879 306358532 /nfs/dbraw/zinc/35/85/32/306358532.db2.gz BTRAILBDILBCOD-UONOGXRCSA-N 2 1 338.477 1.835 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN(C)C2(C[NH3+])CCC2)CC1 ZINC000564335978 306358995 /nfs/dbraw/zinc/35/89/95/306358995.db2.gz UJRYGIIBGJNSJG-UHFFFAOYSA-N 2 1 344.503 1.452 20 0 EDADMP O=C(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC(=O)Nc1ccccc1 ZINC000564788336 306364810 /nfs/dbraw/zinc/36/48/10/306364810.db2.gz DLKNJAJOAKWMRO-GOSISDBHSA-N 2 1 330.432 1.800 20 0 EDADMP [NH3+]C1CCC(OCC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000564891520 306368580 /nfs/dbraw/zinc/36/85/80/306368580.db2.gz UTOGZRVRORMQDZ-UHFFFAOYSA-N 2 1 345.487 1.660 20 0 EDADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290082275 201337572 /nfs/dbraw/zinc/33/75/72/201337572.db2.gz VDWTUMHJEIEHFB-QUCCMNQESA-N 2 1 331.504 1.895 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290082275 201337575 /nfs/dbraw/zinc/33/75/75/201337575.db2.gz VDWTUMHJEIEHFB-QUCCMNQESA-N 2 1 331.504 1.895 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290082275 201337577 /nfs/dbraw/zinc/33/75/77/201337577.db2.gz VDWTUMHJEIEHFB-QUCCMNQESA-N 2 1 331.504 1.895 20 0 EDADMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1nc2c(s1)CCC2 ZINC000357071680 283811095 /nfs/dbraw/zinc/81/10/95/283811095.db2.gz GXGYJNXNXZYEGJ-CYBMUJFWSA-N 2 1 334.489 1.892 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000414701697 304130074 /nfs/dbraw/zinc/13/00/74/304130074.db2.gz KOOVEBYSVMEATK-CABCVRRESA-N 2 1 346.475 1.724 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000414701699 304130018 /nfs/dbraw/zinc/13/00/18/304130018.db2.gz KOOVEBYSVMEATK-HUUCEWRRSA-N 2 1 346.475 1.724 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000414708410 304130819 /nfs/dbraw/zinc/13/08/19/304130819.db2.gz QHGVXHDRJYKFIL-ZIAGYGMSSA-N 2 1 332.448 1.320 20 0 EDADMP CC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414715251 304132324 /nfs/dbraw/zinc/13/23/24/304132324.db2.gz YKAPUBXQAUJXTF-ZWKOTPCHSA-N 2 1 333.476 1.457 20 0 EDADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414722603 304132972 /nfs/dbraw/zinc/13/29/72/304132972.db2.gz MUSPXAZIYJRCCI-IXDOHACOSA-N 3 1 331.508 1.752 20 0 EDADMP C[C@@H]1C[C@@H](CN(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414722603 304132973 /nfs/dbraw/zinc/13/29/73/304132973.db2.gz MUSPXAZIYJRCCI-IXDOHACOSA-N 2 1 331.508 1.752 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000414746111 304136404 /nfs/dbraw/zinc/13/64/04/304136404.db2.gz QEEHNVVLSJFWQB-KGLIPLIRSA-N 2 1 337.414 1.951 20 0 EDADMP CCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](CC)C(=O)OCC ZINC000414758627 304137349 /nfs/dbraw/zinc/13/73/49/304137349.db2.gz MVCFFTGARDGEMF-GJZGRUSLSA-N 2 1 327.469 1.237 20 0 EDADMP C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000162506551 296123740 /nfs/dbraw/zinc/12/37/40/296123740.db2.gz YHECSMCEDAXGIE-GOSISDBHSA-N 2 1 348.535 1.915 20 0 EDADMP Cc1nc(COc2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)cc2)no1 ZINC000415034898 304152998 /nfs/dbraw/zinc/15/29/98/304152998.db2.gz IKVQTJWVEJMALV-MRXNPFEDSA-N 2 1 332.404 1.425 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266649103 284197460 /nfs/dbraw/zinc/19/74/60/284197460.db2.gz FDXGCKHRLFYMIZ-OALUTQOASA-N 2 1 340.471 1.917 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000103311172 204074349 /nfs/dbraw/zinc/07/43/49/204074349.db2.gz SHDXHCWAYZLSQC-GOSISDBHSA-N 2 1 332.492 1.802 20 0 EDADMP CC[NH+](C)CCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103311172 204074351 /nfs/dbraw/zinc/07/43/51/204074351.db2.gz SHDXHCWAYZLSQC-GOSISDBHSA-N 2 1 332.492 1.802 20 0 EDADMP CC[NH+](C)CCNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103311172 204074356 /nfs/dbraw/zinc/07/43/56/204074356.db2.gz SHDXHCWAYZLSQC-GOSISDBHSA-N 2 1 332.492 1.802 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)c3csc(CC[NH3+])n3)CC2)[nH+]1 ZINC000194837240 139001134 /nfs/dbraw/zinc/00/11/34/139001134.db2.gz ZCTLMVGNWJHJFQ-UHFFFAOYSA-N 2 1 345.472 1.747 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(OC)ccc3OC)C2)CC1 ZINC000107371204 204235653 /nfs/dbraw/zinc/23/56/53/204235653.db2.gz OWQUVAULCMKCTH-QGZVFWFLSA-N 2 1 333.476 1.916 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCC(C[NH2+]C)CC1)[NH+]1CCOCC1 ZINC000152277260 204262025 /nfs/dbraw/zinc/26/20/25/204262025.db2.gz LZTQMYVOOTXXGV-QGZVFWFLSA-N 2 1 325.497 1.581 20 0 EDADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415146096 304164862 /nfs/dbraw/zinc/16/48/62/304164862.db2.gz GCBDSHBOJFPHBQ-JKSUJKDBSA-N 2 1 330.432 1.169 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C2)[nH+]1 ZINC000195516203 139018922 /nfs/dbraw/zinc/01/89/22/139018922.db2.gz BSMMIIFMBUBMHK-GJZGRUSLSA-N 2 1 347.463 1.747 20 0 EDADMP CCC[NH+]1CCC(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000236793541 139031623 /nfs/dbraw/zinc/03/16/23/139031623.db2.gz OJTVGFGBHAEFFV-HXUWFJFHSA-N 2 1 331.504 1.870 20 0 EDADMP C[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000126323406 205051575 /nfs/dbraw/zinc/05/15/75/205051575.db2.gz LKXIBUZGVXLWEH-QAPCUYQASA-N 2 1 336.480 1.119 20 0 EDADMP C[C@@H]1CCCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H]1C[NH3+] ZINC000237409220 139050478 /nfs/dbraw/zinc/05/04/78/139050478.db2.gz MSDVBEAJOBLUFE-BHIYHBOVSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H]1CCCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H]1C[NH3+] ZINC000237409220 139050479 /nfs/dbraw/zinc/05/04/79/139050479.db2.gz MSDVBEAJOBLUFE-BHIYHBOVSA-N 2 1 345.487 1.863 20 0 EDADMP Cc1ccsc1CNC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129807326 205211740 /nfs/dbraw/zinc/21/17/40/205211740.db2.gz UXZINQMEELLLGR-UHFFFAOYSA-N 2 1 338.521 1.242 20 0 EDADMP Cc1ccsc1CNC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129807326 205211743 /nfs/dbraw/zinc/21/17/43/205211743.db2.gz UXZINQMEELLLGR-UHFFFAOYSA-N 2 1 338.521 1.242 20 0 EDADMP C[C@H](c1ccc(NC(=O)N2CC[NH2+]C[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000415183541 304172219 /nfs/dbraw/zinc/17/22/19/304172219.db2.gz NMDGMTOSMWIVSH-LSDHHAIUSA-N 2 1 332.448 1.905 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000131997007 205309307 /nfs/dbraw/zinc/30/93/07/205309307.db2.gz RAVSUCDJGVNFIJ-DVOMOZLQSA-N 2 1 325.478 1.413 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000131997007 205309312 /nfs/dbraw/zinc/30/93/12/205309312.db2.gz RAVSUCDJGVNFIJ-DVOMOZLQSA-N 2 1 325.478 1.413 20 0 EDADMP [NH3+]C[C@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000237816791 139061146 /nfs/dbraw/zinc/06/11/46/139061146.db2.gz FCFOSNKOQKXGQW-INIZCTEOSA-N 2 1 329.469 1.965 20 0 EDADMP [NH3+]Cc1nc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cs1 ZINC000238037425 139067219 /nfs/dbraw/zinc/06/72/19/139067219.db2.gz HYQQHTBYHAYIOA-OAHLLOKOSA-N 2 1 344.484 1.896 20 0 EDADMP [NH3+]Cc1nc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cs1 ZINC000238037425 139067220 /nfs/dbraw/zinc/06/72/20/139067220.db2.gz HYQQHTBYHAYIOA-OAHLLOKOSA-N 2 1 344.484 1.896 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1nc2ccc(Cl)cc2n1C ZINC000567639048 306457503 /nfs/dbraw/zinc/45/75/03/306457503.db2.gz NYXPUIUEZOXYET-NSHDSACASA-N 2 1 335.839 1.309 20 0 EDADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCC([NH3+])CC2)c1)C1CC1 ZINC000415263082 304180984 /nfs/dbraw/zinc/18/09/84/304180984.db2.gz HCOHEETYTZPMHA-UHFFFAOYSA-N 2 1 344.459 1.212 20 0 EDADMP O=C(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245699201 139083536 /nfs/dbraw/zinc/08/35/36/139083536.db2.gz LMJOSBKVESDFQX-LDLYASANSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245699201 139083537 /nfs/dbraw/zinc/08/35/37/139083537.db2.gz LMJOSBKVESDFQX-LDLYASANSA-N 2 1 343.471 1.630 20 0 EDADMP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000245811131 139086850 /nfs/dbraw/zinc/08/68/50/139086850.db2.gz GRRNXCJIYLLYSV-VQHPVUNQSA-N 2 1 325.497 1.578 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000245811131 139086851 /nfs/dbraw/zinc/08/68/51/139086851.db2.gz GRRNXCJIYLLYSV-VQHPVUNQSA-N 2 1 325.497 1.578 20 0 EDADMP Cc1nccn1C[C@H](C)CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000246015381 139092546 /nfs/dbraw/zinc/09/25/46/139092546.db2.gz UIZFIHMRVUJUMU-DJIMGWMZSA-N 2 1 333.480 1.953 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000246015381 139092547 /nfs/dbraw/zinc/09/25/47/139092547.db2.gz UIZFIHMRVUJUMU-DJIMGWMZSA-N 2 1 333.480 1.953 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000246015381 139092548 /nfs/dbraw/zinc/09/25/48/139092548.db2.gz UIZFIHMRVUJUMU-DJIMGWMZSA-N 2 1 333.480 1.953 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCS1 ZINC000246288748 139102635 /nfs/dbraw/zinc/10/26/35/139102635.db2.gz CEBVGICBLBZXHB-HZPDHXFCSA-N 2 1 342.553 1.940 20 0 EDADMP CC[N@H+]1CC[C@@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000246381270 139106226 /nfs/dbraw/zinc/10/62/26/139106226.db2.gz KBOORIFQXYAWRP-QFBILLFUSA-N 2 1 346.519 1.798 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000246381270 139106227 /nfs/dbraw/zinc/10/62/27/139106227.db2.gz KBOORIFQXYAWRP-QFBILLFUSA-N 3 1 346.519 1.798 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000246381270 139106228 /nfs/dbraw/zinc/10/62/28/139106228.db2.gz KBOORIFQXYAWRP-QFBILLFUSA-N 3 1 346.519 1.798 20 0 EDADMP CCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000247283165 139143580 /nfs/dbraw/zinc/14/35/80/139143580.db2.gz ZILSLESHYJDKPB-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCCO[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000247283165 139143581 /nfs/dbraw/zinc/14/35/81/139143581.db2.gz ZILSLESHYJDKPB-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000247476968 139149654 /nfs/dbraw/zinc/14/96/54/139149654.db2.gz IMPBWPFNJIKWCC-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000247476968 139149655 /nfs/dbraw/zinc/14/96/55/139149655.db2.gz IMPBWPFNJIKWCC-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000247476968 139149656 /nfs/dbraw/zinc/14/96/56/139149656.db2.gz IMPBWPFNJIKWCC-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000247974995 139156501 /nfs/dbraw/zinc/15/65/01/139156501.db2.gz KRHDQABSESSPMF-UKRRQHHQSA-N 2 1 325.478 1.730 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000248078815 139158213 /nfs/dbraw/zinc/15/82/13/139158213.db2.gz RMHSDMIICDOAOU-QZTJIDSGSA-N 2 1 348.491 1.651 20 0 EDADMP CO[C@@H](C)C[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000248414405 139162739 /nfs/dbraw/zinc/16/27/39/139162739.db2.gz GYCDEAPJRMGNBB-ROUUACIJSA-N 2 1 332.492 1.951 20 0 EDADMP CC[N@@H+](CCO)CCN[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000249027276 139183181 /nfs/dbraw/zinc/18/31/81/139183181.db2.gz RUKRCUGSQGITLX-HSALFYBXSA-N 2 1 331.504 1.801 20 0 EDADMP CC[NH+](CCO)CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000249027276 139183182 /nfs/dbraw/zinc/18/31/82/139183182.db2.gz RUKRCUGSQGITLX-HSALFYBXSA-N 2 1 331.504 1.801 20 0 EDADMP CC[NH+](CCO)CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000249027276 139183183 /nfs/dbraw/zinc/18/31/83/139183183.db2.gz RUKRCUGSQGITLX-HSALFYBXSA-N 2 1 331.504 1.801 20 0 EDADMP CCN(CCO)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000249027276 139183184 /nfs/dbraw/zinc/18/31/84/139183184.db2.gz RUKRCUGSQGITLX-HSALFYBXSA-N 2 1 331.504 1.801 20 0 EDADMP CCN(CCO)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000249027276 139183185 /nfs/dbraw/zinc/18/31/85/139183185.db2.gz RUKRCUGSQGITLX-HSALFYBXSA-N 2 1 331.504 1.801 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)O)c1ccccc1 ZINC000249278785 139190289 /nfs/dbraw/zinc/19/02/89/139190289.db2.gz FJUDLEZTDUJPAG-IAGOWNOFSA-N 2 1 333.476 1.641 20 0 EDADMP COC[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](COC)C3)COC2)C1 ZINC000252736565 139205258 /nfs/dbraw/zinc/20/52/58/139205258.db2.gz XDFXLHWTRXDCOJ-QZTJIDSGSA-N 2 1 340.508 1.720 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000252977986 139205505 /nfs/dbraw/zinc/20/55/05/139205505.db2.gz XJKUATWEEDWRAA-ULQDDVLXSA-N 2 1 340.512 1.203 20 0 EDADMP Cc1nn(C)c2ncc(CN3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)cc12 ZINC000261382802 139208344 /nfs/dbraw/zinc/20/83/44/139208344.db2.gz IKAKPNIBIUUYRQ-AWEZNQCLSA-N 2 1 343.475 1.962 20 0 EDADMP Cc1nn(C)c2ncc(C[NH+]3CCC(N4CCO[C@@H](C)C4)CC3)cc12 ZINC000261382802 139208345 /nfs/dbraw/zinc/20/83/45/139208345.db2.gz IKAKPNIBIUUYRQ-AWEZNQCLSA-N 2 1 343.475 1.962 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)[NH+](C)C ZINC000261621586 139211802 /nfs/dbraw/zinc/21/18/02/139211802.db2.gz CGDHTDKPUMULCE-WBVHZDCISA-N 2 1 335.448 1.168 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C3([NH3+])CCOCC3)c2)C[C@H](C)O1 ZINC000261654387 139214782 /nfs/dbraw/zinc/21/47/82/139214782.db2.gz AQHHMATYLRIAHA-GASCZTMLSA-N 2 1 347.459 1.742 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C3([NH3+])CCOCC3)c2)C[C@H](C)O1 ZINC000261654387 139214783 /nfs/dbraw/zinc/21/47/83/139214783.db2.gz AQHHMATYLRIAHA-GASCZTMLSA-N 2 1 347.459 1.742 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N2CC[C@](C)(C[NH3+])C2)c2ccccc2)CC1 ZINC000261687253 139217549 /nfs/dbraw/zinc/21/75/49/139217549.db2.gz AWEPYFVIXOVRDV-IEBWSBKVSA-N 2 1 330.476 1.172 20 0 EDADMP CCc1noc([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000261673169 139216137 /nfs/dbraw/zinc/21/61/37/139216137.db2.gz BZXDGVUQIRHPLR-MJBXVCDLSA-N 2 1 335.452 1.273 20 0 EDADMP CCc1noc([C@H](C)[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000261673169 139216138 /nfs/dbraw/zinc/21/61/38/139216138.db2.gz BZXDGVUQIRHPLR-MJBXVCDLSA-N 2 1 335.452 1.273 20 0 EDADMP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000261861540 139232156 /nfs/dbraw/zinc/23/21/56/139232156.db2.gz PRZVZOZIZZMOAV-SJLPKXTDSA-N 2 1 331.460 1.254 20 0 EDADMP Clc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(-n2cncn2)c1 ZINC000261830325 139229823 /nfs/dbraw/zinc/22/98/23/139229823.db2.gz AKVVPHLFDZLJJR-MRXNPFEDSA-N 2 1 346.866 1.400 20 0 EDADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1F ZINC000261883878 139233989 /nfs/dbraw/zinc/23/39/89/139233989.db2.gz FPTXMPKFOLTVHM-KBAYOESNSA-N 2 1 349.450 1.611 20 0 EDADMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc(N2CCCC2)n1 ZINC000261887934 139234118 /nfs/dbraw/zinc/23/41/18/139234118.db2.gz GAUWFCAROBUGJJ-RCCFBDPRSA-N 2 1 330.476 1.929 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000262141861 139254560 /nfs/dbraw/zinc/25/45/60/139254560.db2.gz PKMURTQGGXWNGK-KXBFYZLASA-N 2 1 349.475 1.912 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415993584 251045255 /nfs/dbraw/zinc/04/52/55/251045255.db2.gz UCHCFFHNPXOENS-UHFFFAOYSA-N 2 1 347.507 1.945 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416215201 251058193 /nfs/dbraw/zinc/05/81/93/251058193.db2.gz NGBOQOVPXHSOEU-AEFFLSMTSA-N 2 1 347.503 1.983 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416879949 251118188 /nfs/dbraw/zinc/11/81/88/251118188.db2.gz KMUKZNUHPAFMSI-KRWDZBQOSA-N 2 1 346.475 1.318 20 0 EDADMP COC[C@]1(CNC(=O)NCC[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000417010900 251130293 /nfs/dbraw/zinc/13/02/93/251130293.db2.gz QOMJXOXQCNPRCS-LJQANCHMSA-N 2 1 346.475 1.113 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCO[C@H](C[NH3+])C2)cc1F ZINC000417270298 251151682 /nfs/dbraw/zinc/15/16/82/251151682.db2.gz NKWOXXQZMXUXCP-CQSZACIVSA-N 2 1 347.394 1.189 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262362544 139273272 /nfs/dbraw/zinc/27/32/72/139273272.db2.gz VIJUIFOACVQELJ-NJAFHUGGSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262362544 139273273 /nfs/dbraw/zinc/27/32/73/139273273.db2.gz VIJUIFOACVQELJ-NJAFHUGGSA-N 2 1 331.460 1.344 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417573022 251192359 /nfs/dbraw/zinc/19/23/59/251192359.db2.gz WHPBOKSKGZBPLG-QZTJIDSGSA-N 2 1 348.491 1.877 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000417571835 251192598 /nfs/dbraw/zinc/19/25/98/251192598.db2.gz UXWQBCQMSOYQGQ-KRWDZBQOSA-N 2 1 332.448 1.200 20 0 EDADMP CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1C[NH2+]C1 ZINC000417587129 251199315 /nfs/dbraw/zinc/19/93/15/251199315.db2.gz RVZAVXZPVOPZOO-ALOPSCKCSA-N 2 1 328.460 1.795 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)[C@H](C)C1 ZINC000417667837 251221607 /nfs/dbraw/zinc/22/16/07/251221607.db2.gz HPEHEILUNDCSQY-QZWWFDLISA-N 2 1 340.512 1.502 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000417669850 251222794 /nfs/dbraw/zinc/22/27/94/251222794.db2.gz NCSNRHASSMSDET-VVLHAWIVSA-N 2 1 340.512 1.550 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000417670997 251223002 /nfs/dbraw/zinc/22/30/02/251223002.db2.gz PLFMMOCNGDOQTD-HKUYNNGSSA-N 2 1 348.466 1.994 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000417670997 251223005 /nfs/dbraw/zinc/22/30/05/251223005.db2.gz PLFMMOCNGDOQTD-HKUYNNGSSA-N 2 1 348.466 1.994 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000417670999 251223078 /nfs/dbraw/zinc/22/30/78/251223078.db2.gz PLFMMOCNGDOQTD-MJGOQNOKSA-N 2 1 348.466 1.994 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000417670999 251223082 /nfs/dbraw/zinc/22/30/82/251223082.db2.gz PLFMMOCNGDOQTD-MJGOQNOKSA-N 2 1 348.466 1.994 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)CC2)[nH+]1 ZINC000417709557 251237637 /nfs/dbraw/zinc/23/76/37/251237637.db2.gz ZVAZSSIIXFANPI-GDBMZVCRSA-N 2 1 345.491 1.985 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417726904 251245484 /nfs/dbraw/zinc/24/54/84/251245484.db2.gz IHRVRFPJXWYLGW-BZUAXINKSA-N 2 1 333.480 1.232 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417729544 251246935 /nfs/dbraw/zinc/24/69/35/251246935.db2.gz LKFUYWXADSCCES-QAPCUYQASA-N 2 1 345.491 1.234 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417745351 251251907 /nfs/dbraw/zinc/25/19/07/251251907.db2.gz DXJIYGITBUAMJM-IXDOHACOSA-N 2 1 339.528 1.077 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000262503210 139282868 /nfs/dbraw/zinc/28/28/68/139282868.db2.gz AOEWPFCZJAWEDR-HUUCEWRRSA-N 2 1 334.464 1.235 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000262503926 139283030 /nfs/dbraw/zinc/28/30/30/139283030.db2.gz AXWMOBXQTAUOGR-WFASDCNBSA-N 2 1 329.366 1.904 20 0 EDADMP CC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417888053 251316160 /nfs/dbraw/zinc/31/61/60/251316160.db2.gz IJTHPWVHODWIMX-MVJTYMMSSA-N 2 1 348.491 1.701 20 0 EDADMP CC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417888053 251316164 /nfs/dbraw/zinc/31/61/64/251316164.db2.gz IJTHPWVHODWIMX-MVJTYMMSSA-N 2 1 348.491 1.701 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH2+]Cc2cccnc2)C[N@H+]1C1CC1 ZINC000417854363 251299413 /nfs/dbraw/zinc/29/94/13/251299413.db2.gz JPFQHXZSHADCSD-GDBMZVCRSA-N 2 1 331.464 1.486 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(CC[NH3+])CCc2ccccc2)C[N@H+]1C1CC1 ZINC000417858333 251300729 /nfs/dbraw/zinc/30/07/29/251300729.db2.gz PKKMZZZVKQCACU-RDJZCZTQSA-N 2 1 330.476 1.825 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000417858349 251300816 /nfs/dbraw/zinc/30/08/16/251300816.db2.gz PMUWTFVPPFUFBI-MJEQTWJJSA-N 2 1 343.431 1.121 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)CC[C@H](C)[NH3+])CC1 ZINC000262713675 139298270 /nfs/dbraw/zinc/29/82/70/139298270.db2.gz DCMBOFYOVWSNRY-INIZCTEOSA-N 2 1 332.492 1.568 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000262859147 139308601 /nfs/dbraw/zinc/30/86/01/139308601.db2.gz LAOPNMSFWZLTMB-KBPBESRZSA-N 2 1 325.478 1.440 20 0 EDADMP CN1CCN(c2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccn2)CC1 ZINC000422878328 252007848 /nfs/dbraw/zinc/00/78/48/252007848.db2.gz IZKPRUOHNBDTPP-CEXWTWQISA-N 2 1 343.519 1.844 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422865777 252004977 /nfs/dbraw/zinc/00/49/77/252004977.db2.gz ZBYPDGOYIFZODT-HZPDHXFCSA-N 2 1 326.462 1.719 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000423413599 252053672 /nfs/dbraw/zinc/05/36/72/252053672.db2.gz KYTWYDQVCBZAON-HNNXBMFYSA-N 2 1 349.431 1.299 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000423551395 252062338 /nfs/dbraw/zinc/06/23/38/252062338.db2.gz BJGFYOMFCOMGNF-OAHLLOKOSA-N 2 1 332.448 1.287 20 0 EDADMP CC[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)[C@H]1CCCC[NH2+]1 ZINC000422904840 252018540 /nfs/dbraw/zinc/01/85/40/252018540.db2.gz YBNQUFOXZIGVOK-VNQPRFMTSA-N 2 1 336.432 1.665 20 0 EDADMP C[C@H]1CC2(C[N@H+]1Cc1cnc(N3CCOCC3)s1)CC[NH2+]CC2 ZINC000424389121 252206944 /nfs/dbraw/zinc/20/69/44/252206944.db2.gz ZYXLOIIOUTZVLB-AWEZNQCLSA-N 2 1 336.505 1.944 20 0 EDADMP C[C@H](CNCc1cc(C2CC[NH2+]CC2)no1)C[NH+]1CCN(C)CC1 ZINC000425901525 252312922 /nfs/dbraw/zinc/31/29/22/252312922.db2.gz PWLXXKVFWURESC-OAHLLOKOSA-N 2 1 335.496 1.115 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)c2cccn2C2CC[NH2+]CC2)C[C@H]1C ZINC000168027632 285048131 /nfs/dbraw/zinc/04/81/31/285048131.db2.gz HZWBNWNWZLEPKE-OAHLLOKOSA-N 2 1 334.464 1.205 20 0 EDADMP COCC[N@H+]1CCN(C(=O)c2cccn2C2CC[NH2+]CC2)C[C@H]1C ZINC000168027632 285048132 /nfs/dbraw/zinc/04/81/32/285048132.db2.gz HZWBNWNWZLEPKE-OAHLLOKOSA-N 2 1 334.464 1.205 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000349929655 285055387 /nfs/dbraw/zinc/05/53/87/285055387.db2.gz CHTOEBFRIMSTEI-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000349929655 285055388 /nfs/dbraw/zinc/05/53/88/285055388.db2.gz CHTOEBFRIMSTEI-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000349929655 285055389 /nfs/dbraw/zinc/05/53/89/285055389.db2.gz CHTOEBFRIMSTEI-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000263270717 139332284 /nfs/dbraw/zinc/33/22/84/139332284.db2.gz SEEIWXNLNMNRSA-BXUZGUMPSA-N 2 1 340.349 1.765 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000263272766 139332445 /nfs/dbraw/zinc/33/24/45/139332445.db2.gz XJSPKURRAYUWBX-HOCLYGCPSA-N 2 1 340.512 1.103 20 0 EDADMP CC[N@@H+](CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CC1 ZINC000112286327 220285867 /nfs/dbraw/zinc/28/58/67/220285867.db2.gz GAHOBPQIFABOKS-UHFFFAOYSA-N 2 1 331.464 1.048 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000112464681 220332609 /nfs/dbraw/zinc/33/26/09/220332609.db2.gz AMSOCZIHSQUWKK-UHFFFAOYSA-N 2 1 349.479 1.654 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)CCCC[NH3+])c2C1 ZINC000415745035 304263859 /nfs/dbraw/zinc/26/38/59/304263859.db2.gz RGHQSPAOPMKXDT-CQSZACIVSA-N 2 1 346.475 1.984 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)CCCC[NH3+])c2C1 ZINC000415745035 304263861 /nfs/dbraw/zinc/26/38/61/304263861.db2.gz RGHQSPAOPMKXDT-CQSZACIVSA-N 2 1 346.475 1.984 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471646273 255015403 /nfs/dbraw/zinc/01/54/03/255015403.db2.gz ULJJPEZWXWQQJT-IYBDPMFKSA-N 2 1 328.501 1.232 20 0 EDADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000471834883 255016024 /nfs/dbraw/zinc/01/60/24/255016024.db2.gz PLCFMPDWFWYMFN-MOPGFXCFSA-N 2 1 345.487 1.517 20 0 EDADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC(=O)N1CCOCC1 ZINC000471834883 255016026 /nfs/dbraw/zinc/01/60/26/255016026.db2.gz PLCFMPDWFWYMFN-MOPGFXCFSA-N 2 1 345.487 1.517 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418584265 285245353 /nfs/dbraw/zinc/24/53/53/285245353.db2.gz ODZVKKMWGHGZFO-IXDOHACOSA-N 3 1 339.528 1.314 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000494673653 255257294 /nfs/dbraw/zinc/25/72/94/255257294.db2.gz RLVWBMZRWWOYCP-MRXNPFEDSA-N 2 1 348.491 1.903 20 0 EDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000496126654 255356061 /nfs/dbraw/zinc/35/60/61/255356061.db2.gz UKFATVLMYVZKBJ-HUUCEWRRSA-N 2 1 329.485 1.488 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000496126654 255356062 /nfs/dbraw/zinc/35/60/62/255356062.db2.gz UKFATVLMYVZKBJ-HUUCEWRRSA-N 2 1 329.485 1.488 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000496126654 255356063 /nfs/dbraw/zinc/35/60/63/255356063.db2.gz UKFATVLMYVZKBJ-HUUCEWRRSA-N 2 1 329.485 1.488 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000496126654 255356064 /nfs/dbraw/zinc/35/60/64/255356064.db2.gz UKFATVLMYVZKBJ-HUUCEWRRSA-N 2 1 329.485 1.488 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000496236471 255368425 /nfs/dbraw/zinc/36/84/25/255368425.db2.gz WIWJIYKTFOOWDM-SJORKVTESA-N 2 1 341.496 1.776 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000341059571 285278469 /nfs/dbraw/zinc/27/84/69/285278469.db2.gz XEXMLYBXSHODGR-IRXDYDNUSA-N 3 1 341.544 1.384 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccon1 ZINC000352276799 285278750 /nfs/dbraw/zinc/27/87/50/285278750.db2.gz XGVYVUKRCMMPJL-CABCVRRESA-N 2 1 337.468 1.793 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417756148 285318616 /nfs/dbraw/zinc/31/86/16/285318616.db2.gz RWUDOMBWFBZPRO-RDJZCZTQSA-N 2 1 339.528 1.077 20 0 EDADMP CC[NH+](CC)[C@@H](C(=O)NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000264085867 139379892 /nfs/dbraw/zinc/37/98/92/139379892.db2.gz JUBVIAWTAVCLGF-GOSISDBHSA-N 2 1 333.476 1.908 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264324110 139397377 /nfs/dbraw/zinc/39/73/77/139397377.db2.gz AJHIXROCEUKGRH-RBUKOAKNSA-N 2 1 344.503 1.528 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)c1 ZINC000415929437 304285842 /nfs/dbraw/zinc/28/58/42/304285842.db2.gz HCHUZUICBFNESX-QGZVFWFLSA-N 2 1 334.464 1.764 20 0 EDADMP CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000269235391 139899372 /nfs/dbraw/zinc/89/93/72/139899372.db2.gz GLKNUFQIIWIAEU-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP O=S(=O)(NCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000271454107 140297675 /nfs/dbraw/zinc/29/76/75/140297675.db2.gz FCTDPSCANQJSSP-STQMWFEESA-N 2 1 329.491 1.243 20 0 EDADMP O=S(=O)(NCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000271454107 140297676 /nfs/dbraw/zinc/29/76/76/140297676.db2.gz FCTDPSCANQJSSP-STQMWFEESA-N 2 1 329.491 1.243 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416302443 304306698 /nfs/dbraw/zinc/30/66/98/304306698.db2.gz GCWJHLQCKLDNDR-NUJGCVRESA-N 2 1 333.476 1.593 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000331638131 141060442 /nfs/dbraw/zinc/06/04/42/141060442.db2.gz SONIJQOHRVCQTQ-CABCVRRESA-N 2 1 337.468 1.113 20 0 EDADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000331638131 141060443 /nfs/dbraw/zinc/06/04/43/141060443.db2.gz SONIJQOHRVCQTQ-CABCVRRESA-N 2 1 337.468 1.113 20 0 EDADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000331638131 141060444 /nfs/dbraw/zinc/06/04/44/141060444.db2.gz SONIJQOHRVCQTQ-CABCVRRESA-N 2 1 337.468 1.113 20 0 EDADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cn1C ZINC000332185872 141136822 /nfs/dbraw/zinc/13/68/22/141136822.db2.gz WPRLDMCSSSPKFA-SJLPKXTDSA-N 2 1 349.475 1.669 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)C2)C1 ZINC000333332330 141300816 /nfs/dbraw/zinc/30/08/16/141300816.db2.gz OLQSUFVDMALVAW-SFHVURJKSA-N 2 1 330.432 1.728 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)[C@H](C)C1 ZINC000333368961 141306898 /nfs/dbraw/zinc/30/68/98/141306898.db2.gz UTILQQDBTLHDFE-KGLIPLIRSA-N 2 1 348.447 1.087 20 0 EDADMP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000333471219 141322633 /nfs/dbraw/zinc/32/26/33/141322633.db2.gz ASXPRBMMAVBGKX-ZBFHGGJFSA-N 2 1 329.510 1.312 20 0 EDADMP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]1CC[NH2+]CC1(F)F ZINC000333561321 141337280 /nfs/dbraw/zinc/33/72/80/141337280.db2.gz LJXMRAIIPMZEQO-JTQLQIEISA-N 2 1 330.404 1.793 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC000333719706 141365200 /nfs/dbraw/zinc/36/52/00/141365200.db2.gz UJEXARBZXBKBCO-HNNXBMFYSA-N 2 1 336.480 1.191 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000340325232 142342251 /nfs/dbraw/zinc/34/22/51/142342251.db2.gz QYTGMQIMTKAEOH-ZFWWWQNUSA-N 2 1 343.431 1.522 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000340325232 142342252 /nfs/dbraw/zinc/34/22/52/142342252.db2.gz QYTGMQIMTKAEOH-ZFWWWQNUSA-N 2 1 343.431 1.522 20 0 EDADMP COC1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC[NH2+]CC1 ZINC000246735023 292085600 /nfs/dbraw/zinc/08/56/00/292085600.db2.gz YPICGSHEVXLCOC-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC[N@@H+]1C ZINC000345304073 143075575 /nfs/dbraw/zinc/07/55/75/143075575.db2.gz LLLGGBIYSBNGDH-HAYUQVRISA-N 2 1 328.460 1.958 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC[N@H+]1C ZINC000345304073 143075576 /nfs/dbraw/zinc/07/55/76/143075576.db2.gz LLLGGBIYSBNGDH-HAYUQVRISA-N 2 1 328.460 1.958 20 0 EDADMP COCC[N@H+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H]1C ZINC000346203992 143178696 /nfs/dbraw/zinc/17/86/96/143178696.db2.gz JWPOIIJQAWXGAJ-OAHLLOKOSA-N 2 1 329.448 1.728 20 0 EDADMP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000346264094 143184939 /nfs/dbraw/zinc/18/49/39/143184939.db2.gz QAEWTZUSNBGONM-JKSUJKDBSA-N 2 1 336.480 1.700 20 0 EDADMP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[N@H+]1C[C@H](C)O ZINC000346264094 143184940 /nfs/dbraw/zinc/18/49/40/143184940.db2.gz QAEWTZUSNBGONM-JKSUJKDBSA-N 2 1 336.480 1.700 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H]2CCC[NH+]2CCC)CC[N@@H+]1CCOC ZINC000346581251 143218633 /nfs/dbraw/zinc/21/86/33/143218633.db2.gz ZHGXUUYLUYWXDS-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H]2CCC[NH+]2CCC)CC[N@H+]1CCOC ZINC000346581251 143218634 /nfs/dbraw/zinc/21/86/34/143218634.db2.gz ZHGXUUYLUYWXDS-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC[NH+]1CCOC ZINC000346581251 143218635 /nfs/dbraw/zinc/21/86/35/143218635.db2.gz ZHGXUUYLUYWXDS-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CC[NH+]1CCOC ZINC000346581251 143218636 /nfs/dbraw/zinc/21/86/36/143218636.db2.gz ZHGXUUYLUYWXDS-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346834646 143250192 /nfs/dbraw/zinc/25/01/92/143250192.db2.gz SRMDCYFXDUPWRV-WCFLWFBJSA-N 2 1 332.370 1.839 20 0 EDADMP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346834646 143250193 /nfs/dbraw/zinc/25/01/93/143250193.db2.gz SRMDCYFXDUPWRV-WCFLWFBJSA-N 2 1 332.370 1.839 20 0 EDADMP CNC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1c1cnn(C)c1 ZINC000346876841 143255013 /nfs/dbraw/zinc/25/50/13/143255013.db2.gz MLGKUFJBOOYWMS-BRWVUGGUSA-N 2 1 333.480 1.056 20 0 EDADMP CNC(=O)[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1c1cnn(C)c1 ZINC000346876841 143255014 /nfs/dbraw/zinc/25/50/14/143255014.db2.gz MLGKUFJBOOYWMS-BRWVUGGUSA-N 2 1 333.480 1.056 20 0 EDADMP CNC(=O)[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@@H]1c1cnn(C)c1 ZINC000346876841 143255015 /nfs/dbraw/zinc/25/50/15/143255015.db2.gz MLGKUFJBOOYWMS-BRWVUGGUSA-N 2 1 333.480 1.056 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000346954825 143265752 /nfs/dbraw/zinc/26/57/52/143265752.db2.gz BRLGVUWLZYUCHE-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000346954825 143265753 /nfs/dbraw/zinc/26/57/53/143265753.db2.gz BRLGVUWLZYUCHE-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000346954825 143265754 /nfs/dbraw/zinc/26/57/54/143265754.db2.gz BRLGVUWLZYUCHE-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000346997237 143269528 /nfs/dbraw/zinc/26/95/28/143269528.db2.gz WBZCNHOANJHKSP-ZDUSSCGKSA-N 2 1 326.485 1.316 20 0 EDADMP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cnccn1 ZINC000347282287 143303504 /nfs/dbraw/zinc/30/35/04/143303504.db2.gz ZJBYARCZXWPZTQ-WBVHZDCISA-N 2 1 341.459 1.416 20 0 EDADMP C[C@@H](C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)CO)c1ccccc1 ZINC000347378050 143314414 /nfs/dbraw/zinc/31/44/14/143314414.db2.gz SZAJCRUHMOIBNK-ZWKOTPCHSA-N 2 1 347.503 1.637 20 0 EDADMP C[C@@H](C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)CO)c1ccccc1 ZINC000347378050 143314415 /nfs/dbraw/zinc/31/44/15/143314415.db2.gz SZAJCRUHMOIBNK-ZWKOTPCHSA-N 2 1 347.503 1.637 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[NH+](C)C1 ZINC000347479895 143326957 /nfs/dbraw/zinc/32/69/57/143326957.db2.gz NILJTFFEXMNHAN-LDBYLJPUSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000572615384 306595477 /nfs/dbraw/zinc/59/54/77/306595477.db2.gz ZAQIBUVBBASIQT-IAGOWNOFSA-N 2 1 336.524 1.345 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000369770918 155171172 /nfs/dbraw/zinc/17/11/72/155171172.db2.gz RZLUUHBCFOJYHY-SFHVURJKSA-N 2 1 336.524 1.348 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000369845038 155201468 /nfs/dbraw/zinc/20/14/68/155201468.db2.gz HHRBPKATXNVEGB-UHFFFAOYSA-N 2 1 337.468 1.295 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000369845038 155201470 /nfs/dbraw/zinc/20/14/70/155201470.db2.gz HHRBPKATXNVEGB-UHFFFAOYSA-N 2 1 337.468 1.295 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH+](C)C)[C@H](C)C1 ZINC000353434371 286060552 /nfs/dbraw/zinc/06/05/52/286060552.db2.gz DGWKGQLZQMQSLJ-PMPSAXMXSA-N 2 1 328.501 1.373 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000416858713 304352357 /nfs/dbraw/zinc/35/23/57/304352357.db2.gz YZQRBORJTXJXAG-KJFZJZGVSA-N 2 1 346.475 1.880 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCSCC1 ZINC000352655097 149103863 /nfs/dbraw/zinc/10/38/63/149103863.db2.gz GAOPBSRDIUHFGJ-OAHLLOKOSA-N 2 1 328.526 1.599 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC[NH+]1CCSCC1 ZINC000352655097 149103865 /nfs/dbraw/zinc/10/38/65/149103865.db2.gz GAOPBSRDIUHFGJ-OAHLLOKOSA-N 2 1 328.526 1.599 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCSCC1)[NH+]1CCC(C)CC1 ZINC000352677463 149113324 /nfs/dbraw/zinc/11/33/24/149113324.db2.gz LMKKGQIUKLYOST-OAHLLOKOSA-N 2 1 328.526 1.455 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000352685412 149116516 /nfs/dbraw/zinc/11/65/16/149116516.db2.gz TZFBPPSZYZXOKG-UHFFFAOYSA-N 2 1 328.526 1.599 20 0 EDADMP COc1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1OC(C)C ZINC000352721367 149128630 /nfs/dbraw/zinc/12/86/30/149128630.db2.gz QELQQDZHXQPRBX-QGZVFWFLSA-N 2 1 333.476 1.962 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC000352888714 149204195 /nfs/dbraw/zinc/20/41/95/149204195.db2.gz PPWUIWSWNJZWFS-GOSISDBHSA-N 2 1 342.487 1.635 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC000352888714 149204196 /nfs/dbraw/zinc/20/41/96/149204196.db2.gz PPWUIWSWNJZWFS-GOSISDBHSA-N 2 1 342.487 1.635 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000354866703 150002398 /nfs/dbraw/zinc/00/23/98/150002398.db2.gz XCURPUGLEMGXJD-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP CC1CC[NH+](CCCCNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)CC1 ZINC000417031738 304362946 /nfs/dbraw/zinc/36/29/46/304362946.db2.gz PTXPTJHHUMHQTP-QGZVFWFLSA-N 2 1 328.476 1.842 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417034007 304363721 /nfs/dbraw/zinc/36/37/21/304363721.db2.gz RPFYFPZKOKPCMR-RTBURBONSA-N 2 1 342.487 1.828 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417049266 304367039 /nfs/dbraw/zinc/36/70/39/304367039.db2.gz ZGWZRNBXWGFCPH-MAUKXSAKSA-N 2 1 345.491 1.234 20 0 EDADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000357407679 151022823 /nfs/dbraw/zinc/02/28/23/151022823.db2.gz QKYONRCYRZPHOK-DOTOQJQBSA-N 2 1 325.497 1.865 20 0 EDADMP [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000417065326 304368657 /nfs/dbraw/zinc/36/86/57/304368657.db2.gz HDTXTZZCODXWFN-KRWDZBQOSA-N 2 1 330.476 1.684 20 0 EDADMP C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000357734212 151130511 /nfs/dbraw/zinc/13/05/11/151130511.db2.gz VVOIYYHIZFKSST-JKSUJKDBSA-N 2 1 335.492 1.430 20 0 EDADMP COCC1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC[NH2+]CC1 ZINC000333850357 292239547 /nfs/dbraw/zinc/23/95/47/292239547.db2.gz PXQUXZUKVBFSLK-JKSUJKDBSA-N 2 1 338.496 1.128 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000358001074 151229961 /nfs/dbraw/zinc/22/99/61/151229961.db2.gz JPJJAROCPUNLJJ-CVEARBPZSA-N 2 1 328.501 1.374 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000358001074 151229964 /nfs/dbraw/zinc/22/99/64/151229964.db2.gz JPJJAROCPUNLJJ-CVEARBPZSA-N 2 1 328.501 1.374 20 0 EDADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000358094983 151268288 /nfs/dbraw/zinc/26/82/88/151268288.db2.gz LMTVYJNPZGGMOM-FUHWJXTLSA-N 2 1 349.523 1.058 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000358135939 151284811 /nfs/dbraw/zinc/28/48/11/151284811.db2.gz KWHIWFRPXROGNZ-MRXNPFEDSA-N 2 1 342.528 1.904 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000358142920 151286775 /nfs/dbraw/zinc/28/67/75/151286775.db2.gz RWKRXFCJIPOYER-HNNXBMFYSA-N 2 1 349.479 1.651 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNCc2ccc(OCc3ccncc3)cc2)C1 ZINC000358146451 151287389 /nfs/dbraw/zinc/28/73/89/151287389.db2.gz XBEXIINBLDOKOL-LJQANCHMSA-N 2 1 327.428 1.817 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000358146451 151287395 /nfs/dbraw/zinc/28/73/95/151287395.db2.gz XBEXIINBLDOKOL-LJQANCHMSA-N 2 1 327.428 1.817 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000358146451 151287397 /nfs/dbraw/zinc/28/73/97/151287397.db2.gz XBEXIINBLDOKOL-LJQANCHMSA-N 2 1 327.428 1.817 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000358174767 151295700 /nfs/dbraw/zinc/29/57/00/151295700.db2.gz ZGMSHBAHUZHJNC-AWEZNQCLSA-N 2 1 336.329 1.923 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000358174767 151295704 /nfs/dbraw/zinc/29/57/04/151295704.db2.gz ZGMSHBAHUZHJNC-AWEZNQCLSA-N 2 1 336.329 1.923 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000358613066 151434914 /nfs/dbraw/zinc/43/49/14/151434914.db2.gz QMOGXJMOCXDHRK-UHFFFAOYSA-N 2 1 325.497 1.822 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000417114980 304373830 /nfs/dbraw/zinc/37/38/30/304373830.db2.gz OJGLAIAHCRPDFP-FMKPAKJESA-N 2 1 348.516 1.746 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000417114980 304373833 /nfs/dbraw/zinc/37/38/33/304373833.db2.gz OJGLAIAHCRPDFP-FMKPAKJESA-N 2 1 348.516 1.746 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@H]2CC[NH+](C)[C@H]2C1)Cc1ccc(F)cc1 ZINC000360437993 152043258 /nfs/dbraw/zinc/04/32/58/152043258.db2.gz UVJFXUOEVCXVCR-WMZOPIPTSA-N 2 1 348.466 1.993 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1)Cc1ccc(F)cc1 ZINC000360437993 152043260 /nfs/dbraw/zinc/04/32/60/152043260.db2.gz UVJFXUOEVCXVCR-WMZOPIPTSA-N 2 1 348.466 1.993 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1)Cc1ccc(F)cc1 ZINC000360437993 152043263 /nfs/dbraw/zinc/04/32/63/152043263.db2.gz UVJFXUOEVCXVCR-WMZOPIPTSA-N 2 1 348.466 1.993 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NCC[N@H+](C)C2CC2)[C@H](C)C1 ZINC000360855899 152230811 /nfs/dbraw/zinc/23/08/11/152230811.db2.gz FVUYXIJSRUUDLK-WBVHZDCISA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NCC[N@@H+](C)C2CC2)[C@H](C)C1 ZINC000360855899 152230812 /nfs/dbraw/zinc/23/08/12/152230812.db2.gz FVUYXIJSRUUDLK-WBVHZDCISA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000361017061 152280822 /nfs/dbraw/zinc/28/08/22/152280822.db2.gz LJSZUOLTIMWXFQ-HIFRSBDPSA-N 2 1 342.447 1.549 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000361017061 152280826 /nfs/dbraw/zinc/28/08/26/152280826.db2.gz LJSZUOLTIMWXFQ-HIFRSBDPSA-N 2 1 342.447 1.549 20 0 EDADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)OCO2 ZINC000361162572 152324376 /nfs/dbraw/zinc/32/43/76/152324376.db2.gz CTGWWBVJDUXMQL-DZGCQCFKSA-N 2 1 333.432 1.653 20 0 EDADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)OCO2 ZINC000361162572 152324379 /nfs/dbraw/zinc/32/43/79/152324379.db2.gz CTGWWBVJDUXMQL-DZGCQCFKSA-N 2 1 333.432 1.653 20 0 EDADMP COc1cccc2c1CC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000361183236 152329298 /nfs/dbraw/zinc/32/92/98/152329298.db2.gz QMWXFRUJFZQHCF-YOEHRIQHSA-N 2 1 331.460 1.860 20 0 EDADMP CCn1ccnc1CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000370165295 155358886 /nfs/dbraw/zinc/35/88/86/155358886.db2.gz VCDCRMIXVSAPCG-MRXNPFEDSA-N 2 1 347.507 1.714 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000363558062 153000770 /nfs/dbraw/zinc/00/07/70/153000770.db2.gz ORAAMDWQNYIUDH-OWSLCNJRSA-N 2 1 334.508 1.844 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000363558062 153000774 /nfs/dbraw/zinc/00/07/74/153000774.db2.gz ORAAMDWQNYIUDH-OWSLCNJRSA-N 2 1 334.508 1.844 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000363558062 153000776 /nfs/dbraw/zinc/00/07/76/153000776.db2.gz ORAAMDWQNYIUDH-OWSLCNJRSA-N 2 1 334.508 1.844 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCN1CCOCC1(C)C ZINC000363784275 153055756 /nfs/dbraw/zinc/05/57/56/153055756.db2.gz AVDCCAWMUNUUCY-SQNIBIBYSA-N 2 1 339.524 1.576 20 0 EDADMP CNC(=O)[C@@H]1CCCN(Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000363854625 153076013 /nfs/dbraw/zinc/07/60/13/153076013.db2.gz VETMNNXSQWIFAO-CYBMUJFWSA-N 2 1 336.505 1.868 20 0 EDADMP CNC(=O)[C@@H]1CCCN(Cc2nc3c(s2)CN(C(C)C)CC3)C1 ZINC000363854625 153076015 /nfs/dbraw/zinc/07/60/15/153076015.db2.gz VETMNNXSQWIFAO-CYBMUJFWSA-N 2 1 336.505 1.868 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000364122846 153150700 /nfs/dbraw/zinc/15/07/00/153150700.db2.gz NTHLIPMZBWDSBE-CYJAXWMASA-N 2 1 337.508 1.852 20 0 EDADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000364169948 153162736 /nfs/dbraw/zinc/16/27/36/153162736.db2.gz VOEOQCHXXNRJGV-CVEARBPZSA-N 2 1 349.479 1.340 20 0 EDADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000364169948 153162738 /nfs/dbraw/zinc/16/27/38/153162738.db2.gz VOEOQCHXXNRJGV-CVEARBPZSA-N 2 1 349.479 1.340 20 0 EDADMP C[C@@H]1CCC[C@@](CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)([NH+](C)C)C1 ZINC000417210394 304384678 /nfs/dbraw/zinc/38/46/78/304384678.db2.gz DMFSGCRTNYRBGV-DJIMGWMZSA-N 2 1 328.476 1.840 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000417223741 304385381 /nfs/dbraw/zinc/38/53/81/304385381.db2.gz SSIHDICECFGRKD-DZGCQCFKSA-N 2 1 336.505 1.923 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000417223741 304385384 /nfs/dbraw/zinc/38/53/84/304385384.db2.gz SSIHDICECFGRKD-DZGCQCFKSA-N 2 1 336.505 1.923 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)NCC[N@@H+]1CCc2sccc2C1)C(F)F ZINC000417278071 304388854 /nfs/dbraw/zinc/38/88/54/304388854.db2.gz YKRIYLWDPGGLQL-LLVKDONJSA-N 2 1 332.420 1.388 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)NCC[N@H+]1CCc2sccc2C1)C(F)F ZINC000417278071 304388856 /nfs/dbraw/zinc/38/88/56/304388856.db2.gz YKRIYLWDPGGLQL-LLVKDONJSA-N 2 1 332.420 1.388 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000367134216 154018707 /nfs/dbraw/zinc/01/87/07/154018707.db2.gz VLBZFMLRPVFMPP-HNNXBMFYSA-N 2 1 328.482 1.328 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000367134216 154018709 /nfs/dbraw/zinc/01/87/09/154018709.db2.gz VLBZFMLRPVFMPP-HNNXBMFYSA-N 2 1 328.482 1.328 20 0 EDADMP CC(C)n1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)cn1 ZINC000367372612 154092436 /nfs/dbraw/zinc/09/24/36/154092436.db2.gz VJAHVGNSOMNXQB-SJLPKXTDSA-N 2 1 347.507 1.886 20 0 EDADMP CC(C)n1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)cn1 ZINC000367372612 154092439 /nfs/dbraw/zinc/09/24/39/154092439.db2.gz VJAHVGNSOMNXQB-SJLPKXTDSA-N 2 1 347.507 1.886 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(C)(C)CN2CCn3ccnc3C2)C1 ZINC000367894765 154316387 /nfs/dbraw/zinc/31/63/87/154316387.db2.gz NZUWVTKIHBKYDK-INIZCTEOSA-N 2 1 347.507 1.573 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C1 ZINC000367894765 154316393 /nfs/dbraw/zinc/31/63/93/154316393.db2.gz NZUWVTKIHBKYDK-INIZCTEOSA-N 2 1 347.507 1.573 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C1 ZINC000367894765 154316395 /nfs/dbraw/zinc/31/63/95/154316395.db2.gz NZUWVTKIHBKYDK-INIZCTEOSA-N 2 1 347.507 1.573 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C1 ZINC000367894765 154316398 /nfs/dbraw/zinc/31/63/98/154316398.db2.gz NZUWVTKIHBKYDK-INIZCTEOSA-N 2 1 347.507 1.573 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000367906711 154320807 /nfs/dbraw/zinc/32/08/07/154320807.db2.gz YXPGABKXORLUSG-OQIJWPOYSA-N 2 1 333.476 1.637 20 0 EDADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CC[C@@H](CC(N)=O)C3)c2cc1C ZINC000367993514 154359017 /nfs/dbraw/zinc/35/90/17/154359017.db2.gz LZAQOCHSFAUWRW-GJZGRUSLSA-N 2 1 330.432 1.211 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000417358321 304394888 /nfs/dbraw/zinc/39/48/88/304394888.db2.gz FIYCHQFAVVYERQ-CZUORRHYSA-N 2 1 336.505 1.997 20 0 EDADMP CC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369396089 155012905 /nfs/dbraw/zinc/01/29/05/155012905.db2.gz UAPIHVQIFCVKMR-HRCADAONSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369396089 155012911 /nfs/dbraw/zinc/01/29/11/155012911.db2.gz UAPIHVQIFCVKMR-HRCADAONSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369396089 155012913 /nfs/dbraw/zinc/01/29/13/155012913.db2.gz UAPIHVQIFCVKMR-HRCADAONSA-N 2 1 326.485 1.127 20 0 EDADMP COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000369501685 155061728 /nfs/dbraw/zinc/06/17/28/155061728.db2.gz UDBKYKQALSATLK-DLBZAZTESA-N 2 1 341.496 1.055 20 0 EDADMP COCCC[N@@H+]1CCCN(C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000369655006 155121577 /nfs/dbraw/zinc/12/15/77/155121577.db2.gz FYKBFHIOQZRCDW-UHFFFAOYSA-N 2 1 337.468 1.335 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000369655006 155121578 /nfs/dbraw/zinc/12/15/78/155121578.db2.gz FYKBFHIOQZRCDW-UHFFFAOYSA-N 2 1 337.468 1.335 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000371650717 156046767 /nfs/dbraw/zinc/04/67/67/156046767.db2.gz TZDOIVSUMMGOGJ-NUJGCVRESA-N 2 1 347.507 1.931 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000371908123 156162552 /nfs/dbraw/zinc/16/25/52/156162552.db2.gz ZNUCUKKQLIAMHZ-SZMVWBNQSA-N 2 1 337.508 1.412 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)CC2)cs1 ZINC000373065400 156663951 /nfs/dbraw/zinc/66/39/51/156663951.db2.gz GRYUUVGQDQGILC-PBHICJAKSA-N 2 1 348.516 1.874 20 0 EDADMP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000575174360 306666004 /nfs/dbraw/zinc/66/60/04/306666004.db2.gz BTENPMJNUARHLQ-KRWDZBQOSA-N 2 1 331.416 1.814 20 0 EDADMP O=S(=O)(CC[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000373899272 157055264 /nfs/dbraw/zinc/05/52/64/157055264.db2.gz JQGFNBCXZGXROY-KRWDZBQOSA-N 2 1 343.537 1.799 20 0 EDADMP C[C@@H]1COCCN1CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374083679 157136439 /nfs/dbraw/zinc/13/64/39/157136439.db2.gz MVAAAOLVCDMLCX-QGZVFWFLSA-N 2 1 332.492 1.951 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000374417193 157283898 /nfs/dbraw/zinc/28/38/98/157283898.db2.gz BSYWVPJHYWMSIO-CABCVRRESA-N 2 1 325.522 1.995 20 0 EDADMP Cc1ccc(CN(C)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000374622408 157348579 /nfs/dbraw/zinc/34/85/79/157348579.db2.gz ZFFLOAJUUMXTDW-OAHLLOKOSA-N 2 1 334.464 1.898 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000377996752 158051781 /nfs/dbraw/zinc/05/17/81/158051781.db2.gz JUTVDKLLRVDZQP-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000378205630 158108536 /nfs/dbraw/zinc/10/85/36/158108536.db2.gz NFOVLHRPUWPYKD-UHFFFAOYSA-N 2 1 331.460 1.054 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000352215026 162055198 /nfs/dbraw/zinc/05/51/98/162055198.db2.gz YXKJAUMUKYTLAG-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000352223240 162059019 /nfs/dbraw/zinc/05/90/19/162059019.db2.gz RAIGTQLYMDGNBJ-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000352411932 162169767 /nfs/dbraw/zinc/16/97/67/162169767.db2.gz AGVGGLQIEMJRJB-LSDHHAIUSA-N 2 1 328.482 1.422 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000366547741 162390769 /nfs/dbraw/zinc/39/07/69/162390769.db2.gz BMVRCTMQWAESKS-JCURWCKSSA-N 2 1 338.411 1.836 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000366547741 162390774 /nfs/dbraw/zinc/39/07/74/162390774.db2.gz BMVRCTMQWAESKS-JCURWCKSSA-N 2 1 338.411 1.836 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000074133897 287268322 /nfs/dbraw/zinc/26/83/22/287268322.db2.gz DJINMFOPYOYJEI-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000074371530 287270014 /nfs/dbraw/zinc/27/00/14/287270014.db2.gz VLUSNNHBDOFBFN-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000123002122 287384858 /nfs/dbraw/zinc/38/48/58/287384858.db2.gz JVDQNXFCZXOUEH-JKSUJKDBSA-N 2 1 341.496 1.869 20 0 EDADMP Cn1cc(C(=O)NCC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000124235674 287396156 /nfs/dbraw/zinc/39/61/56/287396156.db2.gz NNXGFKPRYWFCJH-QGZVFWFLSA-N 2 1 333.480 1.346 20 0 EDADMP CC(C)[C@H](CNC(=O)NCCC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000652124352 452319094 /nfs/dbraw/zinc/31/90/94/452319094.db2.gz ZPGYYTQZTVLPAJ-INIZCTEOSA-N 2 1 326.485 1.032 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418431188 304495266 /nfs/dbraw/zinc/49/52/66/304495266.db2.gz SDMJPAXNUNTBTB-HOTGVXAUSA-N 2 1 326.485 1.256 20 0 EDADMP CCCCC[N@@H+](CCO)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000274649903 268175963 /nfs/dbraw/zinc/17/59/63/268175963.db2.gz MZNSGIFAAWXDFU-GOSISDBHSA-N 2 1 335.492 1.890 20 0 EDADMP COC(=O)CNC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274814371 268212248 /nfs/dbraw/zinc/21/22/48/268212248.db2.gz IMLTUFVIEKGJGI-DOTOQJQBSA-N 2 1 347.459 1.166 20 0 EDADMP COCc1cccc(CC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000275271231 268311730 /nfs/dbraw/zinc/31/17/30/268311730.db2.gz JJOWGJAQZDDXSM-UHFFFAOYSA-N 2 1 347.503 1.860 20 0 EDADMP CC(C)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275473268 268347712 /nfs/dbraw/zinc/34/77/12/268347712.db2.gz OOKKVXWLORNWMB-UHFFFAOYSA-N 2 1 346.475 1.282 20 0 EDADMP COC1(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000277114034 273180023 /nfs/dbraw/zinc/18/00/23/273180023.db2.gz XYDWOHCBZSAINY-GOSISDBHSA-N 2 1 334.460 1.538 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1c[nH]c2nccnc12 ZINC000365663943 274352436 /nfs/dbraw/zinc/35/24/36/274352436.db2.gz QFUYQCQJKDBNEQ-BMFZPTHFSA-N 2 1 329.448 1.889 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1c[nH]c2nccnc12 ZINC000365663943 274352439 /nfs/dbraw/zinc/35/24/39/274352439.db2.gz QFUYQCQJKDBNEQ-BMFZPTHFSA-N 2 1 329.448 1.889 20 0 EDADMP C[C@H](C(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+](C)C)N1CC[NH+](C)CC1 ZINC000364895223 274467467 /nfs/dbraw/zinc/46/74/67/274467467.db2.gz BFJGTUITXCWPTR-MNEFBYGVSA-N 2 1 344.503 1.356 20 0 EDADMP O=C1[C@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1 ZINC000420350119 275030139 /nfs/dbraw/zinc/03/01/39/275030139.db2.gz RJOWESOFAWVPQS-DLBZAZTESA-N 2 1 348.878 1.425 20 0 EDADMP O=C1[C@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1 ZINC000420350119 275030141 /nfs/dbraw/zinc/03/01/41/275030141.db2.gz RJOWESOFAWVPQS-DLBZAZTESA-N 2 1 348.878 1.425 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000262092255 275054421 /nfs/dbraw/zinc/05/44/21/275054421.db2.gz HEQBRNRGUFQUCR-PKOBYXMFSA-N 2 1 340.471 1.895 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH+](C)CCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1C ZINC000328641509 276399318 /nfs/dbraw/zinc/39/93/18/276399318.db2.gz FNNUMCQJSIVMOH-GJZGRUSLSA-N 2 1 336.480 1.860 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)CCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1C ZINC000328641509 276399320 /nfs/dbraw/zinc/39/93/20/276399320.db2.gz FNNUMCQJSIVMOH-GJZGRUSLSA-N 2 1 336.480 1.860 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1C ZINC000328641509 276399321 /nfs/dbraw/zinc/39/93/21/276399321.db2.gz FNNUMCQJSIVMOH-GJZGRUSLSA-N 2 1 336.480 1.860 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1C ZINC000328641509 276399322 /nfs/dbraw/zinc/39/93/22/276399322.db2.gz FNNUMCQJSIVMOH-GJZGRUSLSA-N 2 1 336.480 1.860 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3COC4(CCCC4)O3)cn2)CC1 ZINC000376802855 277114525 /nfs/dbraw/zinc/11/45/25/277114525.db2.gz CPCRYKYUKCIBDO-MRXNPFEDSA-N 2 1 347.463 1.004 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)[C@@H]2C1 ZINC000333322053 277174758 /nfs/dbraw/zinc/17/47/58/277174758.db2.gz NDOZBGJOHVLCDN-XJKSGUPXSA-N 2 1 330.432 1.727 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000361407007 277384786 /nfs/dbraw/zinc/38/47/86/277384786.db2.gz XKEYCVSOKARYAP-SJORKVTESA-N 2 1 338.496 1.269 20 0 EDADMP CCC[NH+]1CCC([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000666353056 452801738 /nfs/dbraw/zinc/80/17/38/452801738.db2.gz SAAVPBKPEBIGHA-KRWDZBQOSA-N 3 1 326.529 1.543 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000286552821 288032933 /nfs/dbraw/zinc/03/29/33/288032933.db2.gz ROXJYGQVPKZODJ-CABCVRRESA-N 2 1 349.479 1.065 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@@H](C)O1 ZINC000344296905 288066791 /nfs/dbraw/zinc/06/67/91/288066791.db2.gz RIGYRAWRFTVJDH-KLHDSHLOSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)C[C@@H](C)O1 ZINC000344296905 288066792 /nfs/dbraw/zinc/06/67/92/288066792.db2.gz RIGYRAWRFTVJDH-KLHDSHLOSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H](C[NH3+])c2ccccc2)C[C@H](C)O1 ZINC000237655494 288067118 /nfs/dbraw/zinc/06/71/18/288067118.db2.gz MRRWABAEOBFPGK-UXLLHSPISA-N 2 1 333.476 1.733 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H](C[NH3+])c2ccccc2)C[C@H](C)O1 ZINC000237655494 288067120 /nfs/dbraw/zinc/06/71/20/288067120.db2.gz MRRWABAEOBFPGK-UXLLHSPISA-N 2 1 333.476 1.733 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358555134 279116871 /nfs/dbraw/zinc/11/68/71/279116871.db2.gz HOVVCNCHZYXIOU-WCXIOVBPSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358555134 279116872 /nfs/dbraw/zinc/11/68/72/279116872.db2.gz HOVVCNCHZYXIOU-WCXIOVBPSA-N 2 1 336.480 1.118 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH+]1CC(C)C ZINC000359278901 280097815 /nfs/dbraw/zinc/09/78/15/280097815.db2.gz UNARMBNRSGUHCW-CVEARBPZSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC000359278901 280097816 /nfs/dbraw/zinc/09/78/16/280097816.db2.gz UNARMBNRSGUHCW-CVEARBPZSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC000359278901 280097817 /nfs/dbraw/zinc/09/78/17/280097817.db2.gz UNARMBNRSGUHCW-CVEARBPZSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH+]1CCOCC1 ZINC000354273360 280348730 /nfs/dbraw/zinc/34/87/30/280348730.db2.gz LGFKSZUDVBGLMO-FGTMMUONSA-N 2 1 337.508 1.820 20 0 EDADMP CC[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH+]1CCOCC1 ZINC000354273360 280348732 /nfs/dbraw/zinc/34/87/32/280348732.db2.gz LGFKSZUDVBGLMO-FGTMMUONSA-N 2 1 337.508 1.820 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC[N@H+]1C[C@@H](C)O ZINC000345479634 280355952 /nfs/dbraw/zinc/35/59/52/280355952.db2.gz MTGHKHXIFHFXFY-BZUAXINKSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)CC[N@H+]1CCOC ZINC000345733815 280358897 /nfs/dbraw/zinc/35/88/97/280358897.db2.gz CHOZASPNPQHKQR-ARFHVFGLSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)CC[NH+]1CCOC ZINC000345733815 280358899 /nfs/dbraw/zinc/35/88/99/280358899.db2.gz CHOZASPNPQHKQR-ARFHVFGLSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC[NH+]1CCOC ZINC000345733815 280358901 /nfs/dbraw/zinc/35/89/01/280358901.db2.gz CHOZASPNPQHKQR-ARFHVFGLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000664217076 452892107 /nfs/dbraw/zinc/89/21/07/452892107.db2.gz KAWKMESTEYMORZ-HRCADAONSA-N 2 1 327.517 1.040 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000664217076 452892117 /nfs/dbraw/zinc/89/21/17/452892117.db2.gz KAWKMESTEYMORZ-HRCADAONSA-N 3 1 327.517 1.040 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000664217076 452892125 /nfs/dbraw/zinc/89/21/25/452892125.db2.gz KAWKMESTEYMORZ-HRCADAONSA-N 3 1 327.517 1.040 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000664217076 452892132 /nfs/dbraw/zinc/89/21/32/452892132.db2.gz KAWKMESTEYMORZ-HRCADAONSA-N 3 1 327.517 1.040 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000664217076 452892139 /nfs/dbraw/zinc/89/21/39/452892139.db2.gz KAWKMESTEYMORZ-HRCADAONSA-N 3 1 327.517 1.040 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287902573 288351672 /nfs/dbraw/zinc/35/16/72/288351672.db2.gz ZSEZGDDWBJRXFL-OAHLLOKOSA-N 2 1 342.447 1.082 20 0 EDADMP C[C@@H]1[C@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000343559860 289058733 /nfs/dbraw/zinc/05/87/33/289058733.db2.gz PQKQODZMTJBJJP-QRQLOZEOSA-N 2 1 344.503 1.574 20 0 EDADMP C[C@@H]1[C@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000343559860 289058735 /nfs/dbraw/zinc/05/87/35/289058735.db2.gz PQKQODZMTJBJJP-QRQLOZEOSA-N 2 1 344.503 1.574 20 0 EDADMP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000291701393 289155674 /nfs/dbraw/zinc/15/56/74/289155674.db2.gz AWLMOYVLVRQKOO-ZWKOTPCHSA-N 2 1 331.460 1.396 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000333705972 289186152 /nfs/dbraw/zinc/18/61/52/289186152.db2.gz SCDRALRJSQLCFN-CABCVRRESA-N 2 1 334.468 1.393 20 0 EDADMP C[C@H](C(=O)N(C)CCC[NH+](C)CCN(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000356624023 289250877 /nfs/dbraw/zinc/25/08/77/289250877.db2.gz SESOWCSHFMJPPR-IXDOHACOSA-N 2 1 326.529 1.590 20 0 EDADMP C[C@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000356624023 289250880 /nfs/dbraw/zinc/25/08/80/289250880.db2.gz SESOWCSHFMJPPR-IXDOHACOSA-N 2 1 326.529 1.590 20 0 EDADMP C[C@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000356624023 289250882 /nfs/dbraw/zinc/25/08/82/289250882.db2.gz SESOWCSHFMJPPR-IXDOHACOSA-N 2 1 326.529 1.590 20 0 EDADMP C[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000356624023 289250884 /nfs/dbraw/zinc/25/08/84/289250884.db2.gz SESOWCSHFMJPPR-IXDOHACOSA-N 2 1 326.529 1.590 20 0 EDADMP C[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000356624023 289250887 /nfs/dbraw/zinc/25/08/87/289250887.db2.gz SESOWCSHFMJPPR-IXDOHACOSA-N 2 1 326.529 1.590 20 0 EDADMP C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000248581891 289908938 /nfs/dbraw/zinc/90/89/38/289908938.db2.gz SPGVLNYTHCLXAL-BQFCYCMXSA-N 2 1 332.492 1.430 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@@H](C)O1 ZINC000333641234 297015301 /nfs/dbraw/zinc/01/53/01/297015301.db2.gz IHHBVMJMQOTRSN-UHDSXZAQSA-N 2 1 338.496 1.410 20 0 EDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000418802705 304532308 /nfs/dbraw/zinc/53/23/08/304532308.db2.gz YHRDKTYQQIZCOA-MSOLQXFVSA-N 2 1 330.476 1.684 20 0 EDADMP CCC[C@@H](O)[C@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000419830940 304692502 /nfs/dbraw/zinc/69/25/02/304692502.db2.gz UNIZLGKZBAELNT-RBUKOAKNSA-N 2 1 338.467 1.944 20 0 EDADMP O=C(NCc1ccc2c[nH+]cn2c1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000297125331 303362610 /nfs/dbraw/zinc/36/26/10/303362610.db2.gz HGIGKJJGXJIMCG-QGZVFWFLSA-N 2 1 328.416 1.594 20 0 EDADMP CCC[NH2+]CC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000414862951 447332863 /nfs/dbraw/zinc/33/28/63/447332863.db2.gz BJZGDWRAEIVGTH-UHFFFAOYSA-N 2 1 339.505 1.737 20 0 EDADMP FC(F)Oc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)ccn1 ZINC000423112391 304886902 /nfs/dbraw/zinc/88/69/02/304886902.db2.gz XJRTZGUZHDLGCR-MGPQQGTHSA-N 2 1 327.375 1.930 20 0 EDADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)N3CCOc4ccccc43)C2)C1 ZINC000429006806 305022468 /nfs/dbraw/zinc/02/24/68/305022468.db2.gz NQYOOEDINDSVOT-IBGZPJMESA-N 2 1 329.444 1.830 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)N3CCOc4ccccc43)C2)C1 ZINC000429006806 305022469 /nfs/dbraw/zinc/02/24/69/305022469.db2.gz NQYOOEDINDSVOT-IBGZPJMESA-N 2 1 329.444 1.830 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)N3CCOc4ccccc43)C2)C1 ZINC000429006806 305022470 /nfs/dbraw/zinc/02/24/70/305022470.db2.gz NQYOOEDINDSVOT-IBGZPJMESA-N 2 1 329.444 1.830 20 0 EDADMP CC[NH+]1CCC(NC(=O)CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000429023147 305023014 /nfs/dbraw/zinc/02/30/14/305023014.db2.gz VBHVFWCRDPRQFF-SOLBZPMBSA-N 2 1 336.524 1.249 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)CC2)cs1 ZINC000429145376 305024479 /nfs/dbraw/zinc/02/44/79/305024479.db2.gz VTZUPQICKOANOC-MLGOLLRUSA-N 2 1 336.505 1.859 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430546297 305055976 /nfs/dbraw/zinc/05/59/76/305055976.db2.gz JOZQBHRHCNAASQ-INIZCTEOSA-N 2 1 332.492 1.640 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430546297 305055977 /nfs/dbraw/zinc/05/59/77/305055977.db2.gz JOZQBHRHCNAASQ-INIZCTEOSA-N 2 1 332.492 1.640 20 0 EDADMP C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430599463 305057991 /nfs/dbraw/zinc/05/79/91/305057991.db2.gz QOXGXCRXVLVRMY-GJZGRUSLSA-N 2 1 349.475 1.590 20 0 EDADMP C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430599463 305057992 /nfs/dbraw/zinc/05/79/92/305057992.db2.gz QOXGXCRXVLVRMY-GJZGRUSLSA-N 2 1 349.475 1.590 20 0 EDADMP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430657762 305061617 /nfs/dbraw/zinc/06/16/17/305061617.db2.gz WOLOEOOVVOVHME-TZMCWYRMSA-N 2 1 333.436 1.152 20 0 EDADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430657762 305061618 /nfs/dbraw/zinc/06/16/18/305061618.db2.gz WOLOEOOVVOVHME-TZMCWYRMSA-N 2 1 333.436 1.152 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430918034 305067961 /nfs/dbraw/zinc/06/79/61/305067961.db2.gz LJRAOCIAPWZAHF-YCPHGPKFSA-N 2 1 349.475 1.420 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430918034 305067962 /nfs/dbraw/zinc/06/79/62/305067962.db2.gz LJRAOCIAPWZAHF-YCPHGPKFSA-N 2 1 349.475 1.420 20 0 EDADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000430921251 305068209 /nfs/dbraw/zinc/06/82/09/305068209.db2.gz SDPXSPATECNVFU-HZMBPMFUSA-N 2 1 338.839 1.437 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[C@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000430931519 305068799 /nfs/dbraw/zinc/06/87/99/305068799.db2.gz WNIQEZJPBQVPNX-HKUYNNGSSA-N 2 1 344.503 1.308 20 0 EDADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000430941292 305069587 /nfs/dbraw/zinc/06/95/87/305069587.db2.gz VMMKUOSNLCSOGQ-CYBMUJFWSA-N 2 1 333.432 1.846 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000430953489 305070539 /nfs/dbraw/zinc/07/05/39/305070539.db2.gz UALXWXQGFOYRSL-UKRRQHHQSA-N 2 1 335.448 1.331 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000430953489 305070540 /nfs/dbraw/zinc/07/05/40/305070540.db2.gz UALXWXQGFOYRSL-UKRRQHHQSA-N 2 1 335.448 1.331 20 0 EDADMP COCC[NH2+]CC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000431016852 305072830 /nfs/dbraw/zinc/07/28/30/305072830.db2.gz YIRZIZJWQVSMHL-OAHLLOKOSA-N 2 1 335.448 1.582 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000432852870 305096106 /nfs/dbraw/zinc/09/61/06/305096106.db2.gz RVVMYHDEAINPEQ-HNNXBMFYSA-N 2 1 337.489 1.511 20 0 EDADMP CC(C)[NH+](CCNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C(C)C ZINC000433284256 305104792 /nfs/dbraw/zinc/10/47/92/305104792.db2.gz QGGULUUEXBLLNY-QGZVFWFLSA-N 2 1 342.528 1.905 20 0 EDADMP CC[N@@H+](CCNC(=O)NCCC[NH+]1CCCO[C@H](C)C1)C1CC1 ZINC000433329823 305105921 /nfs/dbraw/zinc/10/59/21/305105921.db2.gz HNTPIKSNXVJEGL-OAHLLOKOSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+](CCNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000433329823 305105922 /nfs/dbraw/zinc/10/59/22/305105922.db2.gz HNTPIKSNXVJEGL-OAHLLOKOSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+](CCNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000433329823 305105923 /nfs/dbraw/zinc/10/59/23/305105923.db2.gz HNTPIKSNXVJEGL-OAHLLOKOSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[NH+]1C1CC1 ZINC000433413857 305108500 /nfs/dbraw/zinc/10/85/00/305108500.db2.gz VHAYUXADLPCSEO-OAGGEKHMSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[NH+]1C1CC1 ZINC000433413857 305108501 /nfs/dbraw/zinc/10/85/01/305108501.db2.gz VHAYUXADLPCSEO-OAGGEKHMSA-N 2 1 338.496 1.412 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435235360 305137565 /nfs/dbraw/zinc/13/75/65/305137565.db2.gz DJGOIROOCQPGBU-OALUTQOASA-N 2 1 343.471 1.630 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435235360 305137566 /nfs/dbraw/zinc/13/75/66/305137566.db2.gz DJGOIROOCQPGBU-OALUTQOASA-N 2 1 343.471 1.630 20 0 EDADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCSCC1 ZINC000438868458 305190398 /nfs/dbraw/zinc/19/03/98/305190398.db2.gz PIKTZNHQCWTDED-INIZCTEOSA-N 2 1 342.553 1.845 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCSCC1 ZINC000438868458 305190399 /nfs/dbraw/zinc/19/03/99/305190399.db2.gz PIKTZNHQCWTDED-INIZCTEOSA-N 2 1 342.553 1.845 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C[N@H+]1C1CC1 ZINC000441304210 305220384 /nfs/dbraw/zinc/22/03/84/305220384.db2.gz PFZMLXDGSZFZKB-DJIMGWMZSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C[NH+]1C1CC1 ZINC000441304210 305220385 /nfs/dbraw/zinc/22/03/85/305220385.db2.gz PFZMLXDGSZFZKB-DJIMGWMZSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C[NH+]1C1CC1 ZINC000441304210 305220386 /nfs/dbraw/zinc/22/03/86/305220386.db2.gz PFZMLXDGSZFZKB-DJIMGWMZSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cccc(-n3ccnc3)c2)CC[N@H+]1C ZINC000442261879 305227590 /nfs/dbraw/zinc/22/75/90/305227590.db2.gz GFAVLGQBWKIGGA-KGLIPLIRSA-N 2 1 341.415 1.362 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cccc(-n3ccnc3)c2)CC[N@@H+]1C ZINC000442261879 305227591 /nfs/dbraw/zinc/22/75/91/305227591.db2.gz GFAVLGQBWKIGGA-KGLIPLIRSA-N 2 1 341.415 1.362 20 0 EDADMP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443078315 305234685 /nfs/dbraw/zinc/23/46/85/305234685.db2.gz WPQJMWPRMDDKTN-CQSZACIVSA-N 2 1 332.448 1.436 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCSC1 ZINC000448250024 305294410 /nfs/dbraw/zinc/29/44/10/305294410.db2.gz RGMHTVXWUBJJDQ-JKSUJKDBSA-N 2 1 342.553 1.797 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000448254101 305294641 /nfs/dbraw/zinc/29/46/41/305294641.db2.gz CTLRNUIHTJWBGW-UHFFFAOYSA-N 2 1 339.509 1.144 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC(C)(C)CO ZINC000451247936 305335353 /nfs/dbraw/zinc/33/53/53/305335353.db2.gz CINCNHRIFCRGQD-WMZOPIPTSA-N 2 1 347.503 1.716 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)CO ZINC000451247936 305335354 /nfs/dbraw/zinc/33/53/54/305335354.db2.gz CINCNHRIFCRGQD-WMZOPIPTSA-N 2 1 347.503 1.716 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)CO ZINC000451247936 305335355 /nfs/dbraw/zinc/33/53/55/305335355.db2.gz CINCNHRIFCRGQD-WMZOPIPTSA-N 2 1 347.503 1.716 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000451506772 305350163 /nfs/dbraw/zinc/35/01/63/305350163.db2.gz VADGWPAETHTPGN-JYJNAYRXSA-N 2 1 325.497 1.721 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000451825661 305371028 /nfs/dbraw/zinc/37/10/28/305371028.db2.gz OFLMUFKNEQRVIU-SJLPKXTDSA-N 2 1 345.487 1.906 20 0 EDADMP C[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000458410998 447352763 /nfs/dbraw/zinc/35/27/63/447352763.db2.gz ITICMSQUALFWIE-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000515381234 305720336 /nfs/dbraw/zinc/72/03/36/305720336.db2.gz BBRMYRMTFSPPJV-VHRNVKJDSA-N 2 1 331.464 1.426 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NCC[N@H+](C)C1CCCC1)n2C ZINC000538685138 306032295 /nfs/dbraw/zinc/03/22/95/306032295.db2.gz QKNMHCMQKNNXPA-UHFFFAOYSA-N 2 1 344.463 1.639 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NCC[N@@H+](C)C1CCCC1)n2C ZINC000538685138 306032296 /nfs/dbraw/zinc/03/22/96/306032296.db2.gz QKNMHCMQKNNXPA-UHFFFAOYSA-N 2 1 344.463 1.639 20 0 EDADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc2C1 ZINC000538709311 306032795 /nfs/dbraw/zinc/03/27/95/306032795.db2.gz DRNCRJWJIYWNPY-PKOBYXMFSA-N 2 1 331.460 1.526 20 0 EDADMP C[NH+](C)CCOCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000539750754 306036264 /nfs/dbraw/zinc/03/62/64/306036264.db2.gz VWUYYHUYRMDLBD-KRWDZBQOSA-N 2 1 337.439 1.485 20 0 EDADMP C[NH+](C)CCOCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000539750754 306036265 /nfs/dbraw/zinc/03/62/65/306036265.db2.gz VWUYYHUYRMDLBD-KRWDZBQOSA-N 2 1 337.439 1.485 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000540926751 306041805 /nfs/dbraw/zinc/04/18/05/306041805.db2.gz YVUXOMMUDVCCFM-KRWDZBQOSA-N 2 1 347.507 1.298 20 0 EDADMP CN(CCC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000543670584 306066407 /nfs/dbraw/zinc/06/64/07/306066407.db2.gz PJCHLJKZNGBQRC-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[NH+]1CCC([C@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)CC1 ZINC000544617901 306077336 /nfs/dbraw/zinc/07/73/36/306077336.db2.gz LSERDMQVFUJZJB-INIZCTEOSA-N 2 1 330.476 1.952 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@H]1CCCO1 ZINC000544894580 306079564 /nfs/dbraw/zinc/07/95/64/306079564.db2.gz QXQNJKZCYMFVSM-YTQUADARSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@H]1CCCO1 ZINC000544894580 306079565 /nfs/dbraw/zinc/07/95/65/306079565.db2.gz QXQNJKZCYMFVSM-YTQUADARSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@H]1CCCO1 ZINC000544894580 306079566 /nfs/dbraw/zinc/07/95/66/306079566.db2.gz QXQNJKZCYMFVSM-YTQUADARSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@H]1CCCO1 ZINC000544894580 306079567 /nfs/dbraw/zinc/07/95/67/306079567.db2.gz QXQNJKZCYMFVSM-YTQUADARSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C(C)(C)n1cncn1 ZINC000377811748 447368109 /nfs/dbraw/zinc/36/81/09/447368109.db2.gz PCUNFEYJTFHQKE-NCOADZHNSA-N 2 1 335.496 1.881 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C(C)(C)n1cncn1 ZINC000377811748 447368114 /nfs/dbraw/zinc/36/81/14/447368114.db2.gz PCUNFEYJTFHQKE-NCOADZHNSA-N 2 1 335.496 1.881 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000414949391 447371321 /nfs/dbraw/zinc/37/13/21/447371321.db2.gz ZHRGXNPLZQODQX-RHSMWYFYSA-N 2 1 346.475 1.580 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000414955071 447372654 /nfs/dbraw/zinc/37/26/54/447372654.db2.gz MMSPQFSBWWSTHH-GUYCJALGSA-N 2 1 344.459 1.334 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCN(C2CC2)CC1)CCC(F)(F)F ZINC000426009598 447378136 /nfs/dbraw/zinc/37/81/36/447378136.db2.gz GXHAGYCAZSYIJZ-UHFFFAOYSA-N 2 1 336.402 1.750 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000414971067 447379981 /nfs/dbraw/zinc/37/99/81/447379981.db2.gz VTSOXQZYONDJQU-NVXWUHKLSA-N 2 1 344.459 1.287 20 0 EDADMP C[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)CC[N@@H+]1C ZINC000426030246 447381113 /nfs/dbraw/zinc/38/11/13/447381113.db2.gz NXXKTSBHCWKFDZ-DZGCQCFKSA-N 2 1 331.526 1.651 20 0 EDADMP C[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)CC[N@H+]1C ZINC000426030246 447381116 /nfs/dbraw/zinc/38/11/16/447381116.db2.gz NXXKTSBHCWKFDZ-DZGCQCFKSA-N 2 1 331.526 1.651 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000449707191 447387690 /nfs/dbraw/zinc/38/76/90/447387690.db2.gz CXOCQYWAIBNJNK-AEFFLSMTSA-N 2 1 349.450 1.532 20 0 EDADMP C[NH+]1CCC(CNC(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000105178115 441241329 /nfs/dbraw/zinc/24/13/29/441241329.db2.gz CQKCCUGHFQWANO-UHFFFAOYSA-N 2 1 336.505 1.747 20 0 EDADMP C[NH+]1CCC(CNC(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000105178115 441241332 /nfs/dbraw/zinc/24/13/32/441241332.db2.gz CQKCCUGHFQWANO-UHFFFAOYSA-N 2 1 336.505 1.747 20 0 EDADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000081248606 441243974 /nfs/dbraw/zinc/24/39/74/441243974.db2.gz SRQFFMTYGJASFB-QZTJIDSGSA-N 2 1 331.460 1.270 20 0 EDADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000081248606 441243980 /nfs/dbraw/zinc/24/39/80/441243980.db2.gz SRQFFMTYGJASFB-QZTJIDSGSA-N 2 1 331.460 1.270 20 0 EDADMP CC[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000081248606 441243984 /nfs/dbraw/zinc/24/39/84/441243984.db2.gz SRQFFMTYGJASFB-QZTJIDSGSA-N 2 1 331.460 1.270 20 0 EDADMP CC[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000081248606 441243990 /nfs/dbraw/zinc/24/39/90/441243990.db2.gz SRQFFMTYGJASFB-QZTJIDSGSA-N 2 1 331.460 1.270 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000105476508 441256148 /nfs/dbraw/zinc/25/61/48/441256148.db2.gz AHLHTRHMKGKMEI-UHFFFAOYSA-N 2 1 327.476 1.990 20 0 EDADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000105903640 441314757 /nfs/dbraw/zinc/31/47/57/441314757.db2.gz IHYNBUJSYDDXAT-INIZCTEOSA-N 2 1 333.432 1.845 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000073881135 441365684 /nfs/dbraw/zinc/36/56/84/441365684.db2.gz OTCLLBJFWDSTGC-DLBZAZTESA-N 2 1 341.544 1.290 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N[C@H](C)CC[NH+](C)C)CC2)[nH+]c1 ZINC000073904292 441366848 /nfs/dbraw/zinc/36/68/48/441366848.db2.gz BOWVHMPHHRXSFN-OAHLLOKOSA-N 2 1 333.480 1.998 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC000051998607 441430648 /nfs/dbraw/zinc/43/06/48/441430648.db2.gz KIXJUGIIRVHPJU-LJQANCHMSA-N 2 1 347.503 1.634 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC000051998607 441430651 /nfs/dbraw/zinc/43/06/51/441430651.db2.gz KIXJUGIIRVHPJU-LJQANCHMSA-N 2 1 347.503 1.634 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC000051998607 441430654 /nfs/dbraw/zinc/43/06/54/441430654.db2.gz KIXJUGIIRVHPJU-LJQANCHMSA-N 2 1 347.503 1.634 20 0 EDADMP C[C@H](NC(=O)NC1CC[NH+](CCN(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000085389905 441437128 /nfs/dbraw/zinc/43/71/28/441437128.db2.gz APYITTFZEQNOIL-HNNXBMFYSA-N 2 1 341.544 1.288 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000108547277 441463034 /nfs/dbraw/zinc/46/30/34/441463034.db2.gz ILAYMEODDAJHQW-HLLBOEOZSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000108547277 441463037 /nfs/dbraw/zinc/46/30/37/441463037.db2.gz ILAYMEODDAJHQW-HLLBOEOZSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000108547277 441463040 /nfs/dbraw/zinc/46/30/40/441463040.db2.gz ILAYMEODDAJHQW-HLLBOEOZSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCSCC1 ZINC000089393658 441545481 /nfs/dbraw/zinc/54/54/81/441545481.db2.gz OEOBCFCCWXRTEX-OAHLLOKOSA-N 2 1 348.516 1.852 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000066176826 441510174 /nfs/dbraw/zinc/51/01/74/441510174.db2.gz YFTQZYJCLCPGCG-IAGOWNOFSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000113451415 441609709 /nfs/dbraw/zinc/60/97/09/441609709.db2.gz GJFCALIHOFSLRE-VQHPVUNQSA-N 2 1 325.497 1.530 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCCO)CC(C)(C)C)CC1 ZINC000114456815 441658434 /nfs/dbraw/zinc/65/84/34/441658434.db2.gz USBMCDZZFIHZTC-UHFFFAOYSA-N 2 1 327.513 1.706 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccn1 ZINC000136701380 441717926 /nfs/dbraw/zinc/71/79/26/441717926.db2.gz UBZITYGZADIHGW-INIZCTEOSA-N 2 1 332.448 1.332 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)ccn1 ZINC000136701380 441717930 /nfs/dbraw/zinc/71/79/30/441717930.db2.gz UBZITYGZADIHGW-INIZCTEOSA-N 2 1 332.448 1.332 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000068080471 441724280 /nfs/dbraw/zinc/72/42/80/441724280.db2.gz NFDIXMQDEDXSPK-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000068080471 441724288 /nfs/dbraw/zinc/72/42/88/441724288.db2.gz NFDIXMQDEDXSPK-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000068080471 441724295 /nfs/dbraw/zinc/72/42/95/441724295.db2.gz NFDIXMQDEDXSPK-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000139413481 441815387 /nfs/dbraw/zinc/81/53/87/441815387.db2.gz MQSDGMPEQMKANA-SFHVURJKSA-N 2 1 346.475 1.412 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000139413481 441815391 /nfs/dbraw/zinc/81/53/91/441815391.db2.gz MQSDGMPEQMKANA-SFHVURJKSA-N 2 1 346.475 1.412 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(CC(=O)N3CCO[C@H]4CCCC[C@@H]43)CC[C@@H]21 ZINC000158895495 441770553 /nfs/dbraw/zinc/77/05/53/441770553.db2.gz LHUODWVHNGNJJO-XSLAGTTESA-N 2 1 335.492 1.573 20 0 EDADMP CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C(=O)OC ZINC000158878318 441770768 /nfs/dbraw/zinc/77/07/68/441770768.db2.gz RIUHCWWVZDHBBO-KLZNWCGWSA-N 2 1 339.480 1.106 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCOCC1 ZINC000159002076 441780575 /nfs/dbraw/zinc/78/05/75/441780575.db2.gz IPYNBJXKMGWJIW-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP OCC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)COC1 ZINC000159236247 441796942 /nfs/dbraw/zinc/79/69/42/441796942.db2.gz CUEJQUYFOJWNMF-OALUTQOASA-N 2 1 330.472 1.982 20 0 EDADMP OCC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)COC1 ZINC000159236247 441796947 /nfs/dbraw/zinc/79/69/47/441796947.db2.gz CUEJQUYFOJWNMF-OALUTQOASA-N 2 1 330.472 1.982 20 0 EDADMP OCC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)COC1 ZINC000159236247 441796952 /nfs/dbraw/zinc/79/69/52/441796952.db2.gz CUEJQUYFOJWNMF-OALUTQOASA-N 2 1 330.472 1.982 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1Cc2ccccc2C1 ZINC000143018769 441867954 /nfs/dbraw/zinc/86/79/54/441867954.db2.gz WSBDNJGUQFQXHZ-UHFFFAOYSA-N 2 1 327.472 1.829 20 0 EDADMP CC[NH+](C)CCNC(=O)c1ccc(C(=O)NCC[N@H+](C)CC)s1 ZINC000117982769 441883163 /nfs/dbraw/zinc/88/31/63/441883163.db2.gz WYAMMWHTIDOYLS-UHFFFAOYSA-N 2 1 340.493 1.111 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123489599 441890718 /nfs/dbraw/zinc/89/07/18/441890718.db2.gz WLUJSKXXDXTOAR-JLSDUUJJSA-N 2 1 349.475 1.799 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123489599 441890722 /nfs/dbraw/zinc/89/07/22/441890722.db2.gz WLUJSKXXDXTOAR-JLSDUUJJSA-N 2 1 349.475 1.799 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123489599 441890726 /nfs/dbraw/zinc/89/07/26/441890726.db2.gz WLUJSKXXDXTOAR-JLSDUUJJSA-N 2 1 349.475 1.799 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123489599 441890733 /nfs/dbraw/zinc/89/07/33/441890733.db2.gz WLUJSKXXDXTOAR-JLSDUUJJSA-N 2 1 349.475 1.799 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000174718656 441957296 /nfs/dbraw/zinc/95/72/96/441957296.db2.gz FIKXNILVCKHUFP-MSOLQXFVSA-N 2 1 346.519 1.822 20 0 EDADMP COc1cc(-c2noc(C[NH+]3CCC(CC[NH+](C)C)CC3)n2)ncn1 ZINC000450291927 447445141 /nfs/dbraw/zinc/44/51/41/447445141.db2.gz VYBLLASZZBGJQP-UHFFFAOYSA-N 2 1 346.435 1.699 20 0 EDADMP CCOC(=O)CNC(=O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161971350 442049855 /nfs/dbraw/zinc/04/98/55/442049855.db2.gz OQDAZZUNTLWXRQ-UHFFFAOYSA-N 2 1 339.480 1.254 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000151469449 442067212 /nfs/dbraw/zinc/06/72/12/442067212.db2.gz YCNKOSVZDHWSEC-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP COc1ccccc1N1CC[C@@H]([NH2+][C@H]2CCc3[nH+]c(C)cn3C2)C1=O ZINC000151577918 442088193 /nfs/dbraw/zinc/08/81/93/442088193.db2.gz WCPIKRCIMKVONE-LSDHHAIUSA-N 2 1 340.427 1.910 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)[C@@H]2CCSC2)C1 ZINC000162619290 442109083 /nfs/dbraw/zinc/10/90/83/442109083.db2.gz MIROUWAUGKDIHV-HZPDHXFCSA-N 2 1 327.538 1.908 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000162619290 442109087 /nfs/dbraw/zinc/10/90/87/442109087.db2.gz MIROUWAUGKDIHV-HZPDHXFCSA-N 2 1 327.538 1.908 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000162619290 442109092 /nfs/dbraw/zinc/10/90/92/442109092.db2.gz MIROUWAUGKDIHV-HZPDHXFCSA-N 2 1 327.538 1.908 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@H+]3C)cc2)CC1 ZINC000175710145 442109654 /nfs/dbraw/zinc/10/96/54/442109654.db2.gz KEWJZEDYXISXFV-GOSISDBHSA-N 2 1 330.476 1.653 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000175728566 442112317 /nfs/dbraw/zinc/11/23/17/442112317.db2.gz HGXSOQLSSTZHIB-SJORKVTESA-N 2 1 339.528 1.184 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000151871476 442132245 /nfs/dbraw/zinc/13/22/45/442132245.db2.gz HRKTYOVZDITPBG-IPYPFGDCSA-N 2 1 325.478 1.728 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000151871476 442132249 /nfs/dbraw/zinc/13/22/49/442132249.db2.gz HRKTYOVZDITPBG-IPYPFGDCSA-N 2 1 325.478 1.728 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000163587442 442174662 /nfs/dbraw/zinc/17/46/62/442174662.db2.gz BKMFKSGTWRPVNM-LPHOPBHVSA-N 2 1 341.455 1.984 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000152552907 442225407 /nfs/dbraw/zinc/22/54/07/442225407.db2.gz NQUFFBWMLUHEHB-AEFFLSMTSA-N 2 1 337.439 1.219 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000152552907 442225410 /nfs/dbraw/zinc/22/54/10/442225410.db2.gz NQUFFBWMLUHEHB-AEFFLSMTSA-N 2 1 337.439 1.219 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)CCOC)[C@H](C)C1 ZINC000128431173 442266056 /nfs/dbraw/zinc/26/60/56/442266056.db2.gz IRRGNSCXDOADBB-HZPDHXFCSA-N 2 1 328.501 1.326 20 0 EDADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+](C)CCOC)[C@H](C)C1 ZINC000128431173 442266058 /nfs/dbraw/zinc/26/60/58/442266058.db2.gz IRRGNSCXDOADBB-HZPDHXFCSA-N 2 1 328.501 1.326 20 0 EDADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+](C)CCOC)[C@H](C)C1 ZINC000128431173 442266061 /nfs/dbraw/zinc/26/60/61/442266061.db2.gz IRRGNSCXDOADBB-HZPDHXFCSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H](C)[NH2+]1 ZINC000153575839 442289896 /nfs/dbraw/zinc/28/98/96/442289896.db2.gz IMQLBEHCRJXXGU-JFIYKMOQSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H](C)[NH2+]1 ZINC000153575839 442289900 /nfs/dbraw/zinc/28/99/00/442289900.db2.gz IMQLBEHCRJXXGU-JFIYKMOQSA-N 2 1 331.460 1.486 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1cccc(F)c1 ZINC000153604417 442291263 /nfs/dbraw/zinc/29/12/63/442291263.db2.gz RYCRYVWKBQCCTI-HZPDHXFCSA-N 2 1 339.480 1.982 20 0 EDADMP C[N@H+](CCN1CC[NH+]([C@@H]2CCCCNC2=O)CC1)Cc1ccccc1 ZINC000153642165 442293576 /nfs/dbraw/zinc/29/35/76/442293576.db2.gz ADDWCNPCFGPZHS-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP C[N@@H+](CCN1CC[NH+]([C@@H]2CCCCNC2=O)CC1)Cc1ccccc1 ZINC000153642165 442293579 /nfs/dbraw/zinc/29/35/79/442293579.db2.gz ADDWCNPCFGPZHS-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC000128273276 442256764 /nfs/dbraw/zinc/25/67/64/442256764.db2.gz YIZQNNHINKFMJY-UHFFFAOYSA-N 2 1 345.535 1.663 20 0 EDADMP CC[NH+](CC)CCNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000154432223 442338660 /nfs/dbraw/zinc/33/86/60/442338660.db2.gz INNGXBJXEBDUKU-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP CC[NH+](CC)CCNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000154432223 442338663 /nfs/dbraw/zinc/33/86/63/442338663.db2.gz INNGXBJXEBDUKU-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP CC[C@@H](C)NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171306988 442340806 /nfs/dbraw/zinc/34/08/06/442340806.db2.gz DFTVMPLDRWUXLY-OAGGEKHMSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H](C)NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171306988 442340808 /nfs/dbraw/zinc/34/08/08/442340808.db2.gz DFTVMPLDRWUXLY-OAGGEKHMSA-N 2 1 325.497 1.722 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](NC(C)=O)C2)CC1 ZINC000153909388 442310445 /nfs/dbraw/zinc/31/04/45/442310445.db2.gz MJQXPWIRZFQJES-LJQANCHMSA-N 2 1 344.503 1.929 20 0 EDADMP Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c(C)n1 ZINC000154959990 442367542 /nfs/dbraw/zinc/36/75/42/442367542.db2.gz CYQCBKVWIIPBCN-GXTWGEPZSA-N 2 1 332.448 1.874 20 0 EDADMP CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC1 ZINC000155052207 442373352 /nfs/dbraw/zinc/37/33/52/442373352.db2.gz DRQYDBOBIOXRLV-UHFFFAOYSA-N 2 1 344.459 1.515 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC1 ZINC000155052207 442373354 /nfs/dbraw/zinc/37/33/54/442373354.db2.gz DRQYDBOBIOXRLV-UHFFFAOYSA-N 2 1 344.459 1.515 20 0 EDADMP CCC[NH+]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000155052207 442373358 /nfs/dbraw/zinc/37/33/58/442373358.db2.gz DRQYDBOBIOXRLV-UHFFFAOYSA-N 2 1 344.459 1.515 20 0 EDADMP CCC[NH+]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000155052207 442373361 /nfs/dbraw/zinc/37/33/61/442373361.db2.gz DRQYDBOBIOXRLV-UHFFFAOYSA-N 2 1 344.459 1.515 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000171899113 442388189 /nfs/dbraw/zinc/38/81/89/442388189.db2.gz XSEFELGQGFHXDI-INIZCTEOSA-N 2 1 326.485 1.272 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000154879392 442362478 /nfs/dbraw/zinc/36/24/78/442362478.db2.gz XSTDKAMSPDMVHJ-AWEZNQCLSA-N 2 1 330.436 1.424 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000178383542 442429124 /nfs/dbraw/zinc/42/91/24/442429124.db2.gz VDUIXAXTWCRBIW-OTWHNJEPSA-N 2 1 349.519 1.822 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(F)cc1N(C)C ZINC000178673658 442455089 /nfs/dbraw/zinc/45/50/89/442455089.db2.gz QXVHXXWFMAVQJA-CQSZACIVSA-N 2 1 336.455 1.706 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000180021720 442530002 /nfs/dbraw/zinc/53/00/02/442530002.db2.gz MWBZIMHKSABCPS-ZBFHGGJFSA-N 2 1 331.526 1.509 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000180021720 442530006 /nfs/dbraw/zinc/53/00/06/442530006.db2.gz MWBZIMHKSABCPS-ZBFHGGJFSA-N 2 1 331.526 1.509 20 0 EDADMP O=C1OCC[C@]12CCC[NH+]2CCCC[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186631663 442578108 /nfs/dbraw/zinc/57/81/08/442578108.db2.gz HJGZJGHSQHMFGY-HDICACEKSA-N 2 1 336.432 1.330 20 0 EDADMP O=C1OCC[C@]12CCC[N@H+]2CCCC[NH+]1CCC[C@@]12CCOC2=O ZINC000186631663 442578111 /nfs/dbraw/zinc/57/81/11/442578111.db2.gz HJGZJGHSQHMFGY-HDICACEKSA-N 2 1 336.432 1.330 20 0 EDADMP O=C1OCC[C@]12CCC[N@@H+]2CCCC[NH+]1CCC[C@@]12CCOC2=O ZINC000186631663 442578115 /nfs/dbraw/zinc/57/81/15/442578115.db2.gz HJGZJGHSQHMFGY-HDICACEKSA-N 2 1 336.432 1.330 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)C[C@H]2C1 ZINC000192528720 442658770 /nfs/dbraw/zinc/65/87/70/442658770.db2.gz FLVUJUYDMQZWGH-HDICACEKSA-N 2 1 342.487 1.219 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000186843844 442620529 /nfs/dbraw/zinc/62/05/29/442620529.db2.gz VIQWIKJVIBNFIA-UHFFFAOYSA-N 2 1 334.464 1.270 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188068442 442707767 /nfs/dbraw/zinc/70/77/67/442707767.db2.gz OUZYEPPCQWJVFW-JTDSTZFVSA-N 2 1 345.487 1.769 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000187200677 442660297 /nfs/dbraw/zinc/66/02/97/442660297.db2.gz BHBAYKPSNCYTQY-HOTGVXAUSA-N 2 1 342.528 1.356 20 0 EDADMP C[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000187286358 442667228 /nfs/dbraw/zinc/66/72/28/442667228.db2.gz MEQKIXPOHMHQBA-AWEZNQCLSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188140710 442716073 /nfs/dbraw/zinc/71/60/73/442716073.db2.gz HUYIYRHBKBWYLF-IBGZPJMESA-N 2 1 333.476 1.422 20 0 EDADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188140710 442716074 /nfs/dbraw/zinc/71/60/74/442716074.db2.gz HUYIYRHBKBWYLF-IBGZPJMESA-N 2 1 333.476 1.422 20 0 EDADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188140710 442716076 /nfs/dbraw/zinc/71/60/76/442716076.db2.gz HUYIYRHBKBWYLF-IBGZPJMESA-N 2 1 333.476 1.422 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000188258335 442730644 /nfs/dbraw/zinc/73/06/44/442730644.db2.gz OQBYVOLFUHQJKS-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP CC[C@H](NC(=O)CC[C@@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000193323526 442733310 /nfs/dbraw/zinc/73/33/10/442733310.db2.gz AEQIJOYFLXNAKT-BPQIPLTHSA-N 2 1 333.476 1.910 20 0 EDADMP CC[C@H](NC(=O)CC[C@@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000193323526 442733312 /nfs/dbraw/zinc/73/33/12/442733312.db2.gz AEQIJOYFLXNAKT-BPQIPLTHSA-N 2 1 333.476 1.910 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000193328758 442733444 /nfs/dbraw/zinc/73/34/44/442733444.db2.gz BBGHNYISLOKABV-UHFFFAOYSA-N 2 1 334.464 1.222 20 0 EDADMP CC(C)C[C@@H](CNC(=O)C1CC[NH+](Cc2nccn2C)CC1)[NH+](C)C ZINC000193482428 442747285 /nfs/dbraw/zinc/74/72/85/442747285.db2.gz LEYMJGBUWIDOND-KRWDZBQOSA-N 2 1 349.523 1.725 20 0 EDADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000188095922 442711146 /nfs/dbraw/zinc/71/11/46/442711146.db2.gz WPBCMGRVFGYYME-MRXNPFEDSA-N 2 1 328.416 1.982 20 0 EDADMP C[C@H](CCNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000181725293 442712725 /nfs/dbraw/zinc/71/27/25/442712725.db2.gz ZYZXEFWWBRKLCG-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000246568013 442793084 /nfs/dbraw/zinc/79/30/84/442793084.db2.gz UWHNOGHFCVAFOQ-BPQIPLTHSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000246568013 442793089 /nfs/dbraw/zinc/79/30/89/442793089.db2.gz UWHNOGHFCVAFOQ-BPQIPLTHSA-N 2 1 331.460 1.486 20 0 EDADMP C[N@@H+](CCNC(=O)c1[nH]nc2c1C[NH2+]CC2)Cc1ccc(F)cc1 ZINC000188785020 442813270 /nfs/dbraw/zinc/81/32/70/442813270.db2.gz GJOOLYVEDWEPKW-UHFFFAOYSA-N 2 1 331.395 1.056 20 0 EDADMP COC(=O)C1CCN(C(=O)[C@H](C)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000246865796 442819332 /nfs/dbraw/zinc/81/93/32/442819332.db2.gz KUCRWVOWUGPHSK-GJZGRUSLSA-N 2 1 339.480 1.060 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CN2CCOCC2)[C@@H](C)C1 ZINC000246989098 442825737 /nfs/dbraw/zinc/82/57/37/442825737.db2.gz KCSFYVJJDZXAEG-KSZLIROESA-N 2 1 327.513 1.434 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H]1[NH+](C)C ZINC000268220842 442905363 /nfs/dbraw/zinc/90/53/63/442905363.db2.gz OPCMLOQAGVWUAB-PBHICJAKSA-N 2 1 336.455 1.849 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCOCC2)cc1 ZINC000183685985 442953928 /nfs/dbraw/zinc/95/39/28/442953928.db2.gz RWGGKQDAONHHHC-DNVCBOLYSA-N 2 1 344.459 1.524 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3cccs3)CC2)[C@@H]1CO ZINC000190338672 443087168 /nfs/dbraw/zinc/08/71/68/443087168.db2.gz UUOVBGXKUIFECL-GDBMZVCRSA-N 2 1 337.489 1.095 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000236781928 443147369 /nfs/dbraw/zinc/14/73/69/443147369.db2.gz KADRZUUZAHPMDO-ZACQAIPSSA-N 2 1 325.497 1.757 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1C ZINC000268807275 443114438 /nfs/dbraw/zinc/11/44/38/443114438.db2.gz LCWPIVREYVMUMY-ROUUACIJSA-N 3 1 331.508 1.666 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CCN1C ZINC000268807275 443114442 /nfs/dbraw/zinc/11/44/42/443114442.db2.gz LCWPIVREYVMUMY-ROUUACIJSA-N 2 1 331.508 1.666 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000268865585 443129960 /nfs/dbraw/zinc/12/99/60/443129960.db2.gz TWVOVGXMFNWICV-YOEHRIQHSA-N 2 1 333.432 1.751 20 0 EDADMP [NH3+]C1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCOCC1 ZINC000261758331 443168459 /nfs/dbraw/zinc/16/84/59/443168459.db2.gz FQWSZKXVVZGKFF-QGZVFWFLSA-N 2 1 331.460 1.175 20 0 EDADMP c1cnn(-c2ncccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261864110 443172927 /nfs/dbraw/zinc/17/29/27/443172927.db2.gz CKZMAZAROUIILG-GVDBMIGSSA-N 2 1 327.432 1.514 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000262016580 443180751 /nfs/dbraw/zinc/18/07/51/443180751.db2.gz MUUKYWWCHRVCEB-MRXNPFEDSA-N 2 1 342.443 1.760 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000237001044 443155580 /nfs/dbraw/zinc/15/55/80/443155580.db2.gz FLMCCDCAYRUDLR-MPTYRVRUSA-N 2 1 325.497 1.708 20 0 EDADMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000269120285 443203668 /nfs/dbraw/zinc/20/36/68/443203668.db2.gz YYZNAKXIQPATPQ-UHFFFAOYSA-N 2 1 345.491 1.783 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000262619261 443203807 /nfs/dbraw/zinc/20/38/07/443203807.db2.gz INQADRXAPFPHLX-NRKLIOEPSA-N 2 1 325.497 1.706 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000382724564 319124296 /nfs/dbraw/zinc/12/42/96/319124296.db2.gz QQLMTNLCBUBQML-SJLPKXTDSA-N 2 1 331.460 1.488 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC(C)(C)CN1CCOCC1 ZINC000413550639 319276438 /nfs/dbraw/zinc/27/64/38/319276438.db2.gz KSQAVKVUNYFUHH-OAHLLOKOSA-N 2 1 328.501 1.517 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)Cn2ccnn2)CC1 ZINC000414202999 319319450 /nfs/dbraw/zinc/31/94/50/319319450.db2.gz YXXMZIYTEFCNFS-ACBHZAAOSA-N 2 1 343.475 1.672 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000266825152 443258114 /nfs/dbraw/zinc/25/81/14/443258114.db2.gz ITIQYXJCOMZDEV-MRXNPFEDSA-N 2 1 333.476 1.734 20 0 EDADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000414670663 319338679 /nfs/dbraw/zinc/33/86/79/319338679.db2.gz DNTKHCJDISMUGE-RTBURBONSA-N 2 1 344.503 1.390 20 0 EDADMP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414688016 319342956 /nfs/dbraw/zinc/34/29/56/319342956.db2.gz CPNSPKJYJWCXLG-GJZGRUSLSA-N 2 1 339.480 1.108 20 0 EDADMP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414994087 319344375 /nfs/dbraw/zinc/34/43/75/319344375.db2.gz CZKZITRHDOLKEO-STQMWFEESA-N 2 1 332.416 1.683 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415237821 319355746 /nfs/dbraw/zinc/35/57/46/319355746.db2.gz JYJLJBAVTGMYIA-CQSZACIVSA-N 2 1 346.475 1.507 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000415962202 319385838 /nfs/dbraw/zinc/38/58/38/319385838.db2.gz WUBYUBLYSSPSIC-LSDHHAIUSA-N 2 1 334.464 1.715 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000415971095 319386297 /nfs/dbraw/zinc/38/62/97/319386297.db2.gz JCYSZIAKEDUEDH-HNNXBMFYSA-N 2 1 347.463 1.115 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415990894 319387837 /nfs/dbraw/zinc/38/78/37/319387837.db2.gz DSPBXZZNAZKSKW-XQHKEYJVSA-N 2 1 338.418 1.932 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH+]3CCc4ccccc4C3)CC2)C1 ZINC000266838314 443262001 /nfs/dbraw/zinc/26/20/01/443262001.db2.gz LUSXFHFTSITJFZ-LJQANCHMSA-N 2 1 343.471 1.366 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH+]3CCc4ccccc4C3)CC2)C1 ZINC000266838314 443262005 /nfs/dbraw/zinc/26/20/05/443262005.db2.gz LUSXFHFTSITJFZ-LJQANCHMSA-N 2 1 343.471 1.366 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC000266838314 443262010 /nfs/dbraw/zinc/26/20/10/443262010.db2.gz LUSXFHFTSITJFZ-LJQANCHMSA-N 2 1 343.471 1.366 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC000266838314 443262012 /nfs/dbraw/zinc/26/20/12/443262012.db2.gz LUSXFHFTSITJFZ-LJQANCHMSA-N 2 1 343.471 1.366 20 0 EDADMP CC(C)C[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000416941911 319480765 /nfs/dbraw/zinc/48/07/65/319480765.db2.gz QWUPJHJURPNGET-BRWVUGGUSA-N 2 1 340.512 1.550 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)[nH+]c1 ZINC000272489687 443337694 /nfs/dbraw/zinc/33/76/94/443337694.db2.gz SWWGOHQZLMZXIW-CVEARBPZSA-N 2 1 331.464 1.928 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)[nH+]c1 ZINC000272489687 443337698 /nfs/dbraw/zinc/33/76/98/443337698.db2.gz SWWGOHQZLMZXIW-CVEARBPZSA-N 2 1 331.464 1.928 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000272496857 443340837 /nfs/dbraw/zinc/34/08/37/443340837.db2.gz DFAWJIZXNNVTGT-NVXWUHKLSA-N 2 1 341.459 1.782 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000272496857 443340841 /nfs/dbraw/zinc/34/08/41/443340841.db2.gz DFAWJIZXNNVTGT-NVXWUHKLSA-N 2 1 341.459 1.782 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000269559156 443348256 /nfs/dbraw/zinc/34/82/56/443348256.db2.gz QFBYFXPRIUUABV-MOPGFXCFSA-N 2 1 347.503 1.642 20 0 EDADMP COCC[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000278757647 443427452 /nfs/dbraw/zinc/42/74/52/443427452.db2.gz XPEUSWHQWKXFNO-FQEVSTJZSA-N 2 1 347.503 1.542 20 0 EDADMP Cc1ccc([C@H](CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)[NH+](C)C)cc1 ZINC000264732144 443395937 /nfs/dbraw/zinc/39/59/37/443395937.db2.gz NFXBZMWMTQFINI-ROUUACIJSA-N 2 1 347.507 1.143 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267290572 443407452 /nfs/dbraw/zinc/40/74/52/443407452.db2.gz XQOZQCIGWMWXMY-SXLOBPIMSA-N 2 1 347.503 1.495 20 0 EDADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000272794132 443448343 /nfs/dbraw/zinc/44/83/43/443448343.db2.gz CNVDEWAPTXJAAF-UKRRQHHQSA-N 2 1 325.478 1.859 20 0 EDADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000272794132 443448347 /nfs/dbraw/zinc/44/83/47/443448347.db2.gz CNVDEWAPTXJAAF-UKRRQHHQSA-N 2 1 325.478 1.859 20 0 EDADMP [NH3+][C@@H]1CC[C@H](C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC000423718993 319806259 /nfs/dbraw/zinc/80/62/59/319806259.db2.gz BODQYIULSCDDHC-ZWKOTPCHSA-N 2 1 346.475 1.260 20 0 EDADMP C[NH+](C)CCCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000273099067 443538692 /nfs/dbraw/zinc/53/86/92/443538692.db2.gz AGKCMAMWCFVHNH-GOSISDBHSA-N 2 1 333.476 1.642 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](O)C1 ZINC000265227509 443576916 /nfs/dbraw/zinc/57/69/16/443576916.db2.gz ORPPCJSMXZUWGY-YJBOKZPZSA-N 2 1 331.460 1.222 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000441221241 320093116 /nfs/dbraw/zinc/09/31/16/320093116.db2.gz CRIFRSHBTLVZKO-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000444270021 320123598 /nfs/dbraw/zinc/12/35/98/320123598.db2.gz QRQUGVRABMFAKX-GOSISDBHSA-N 2 1 330.476 1.306 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)C[C@@H]21 ZINC000453036259 320260145 /nfs/dbraw/zinc/26/01/45/320260145.db2.gz NTQQPLFGOJKKBV-FGTMMUONSA-N 2 1 329.444 1.050 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)C[C@@H]21 ZINC000453036259 320260146 /nfs/dbraw/zinc/26/01/46/320260146.db2.gz NTQQPLFGOJKKBV-FGTMMUONSA-N 2 1 329.444 1.050 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@@H]21 ZINC000453036259 320260147 /nfs/dbraw/zinc/26/01/47/320260147.db2.gz NTQQPLFGOJKKBV-FGTMMUONSA-N 2 1 329.444 1.050 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@@H]21 ZINC000453036259 320260149 /nfs/dbraw/zinc/26/01/49/320260149.db2.gz NTQQPLFGOJKKBV-FGTMMUONSA-N 2 1 329.444 1.050 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)C[C@@H]21 ZINC000453040087 320260481 /nfs/dbraw/zinc/26/04/81/320260481.db2.gz SQRCYVMCEJSNIT-NZSAHSFTSA-N 2 1 343.471 1.347 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)C[C@@H]21 ZINC000453040087 320260482 /nfs/dbraw/zinc/26/04/82/320260482.db2.gz SQRCYVMCEJSNIT-NZSAHSFTSA-N 2 1 343.471 1.347 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)C[C@@H]21 ZINC000453040086 320260583 /nfs/dbraw/zinc/26/05/83/320260583.db2.gz SQRCYVMCEJSNIT-NEWSRXKRSA-N 2 1 343.471 1.347 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)C[C@@H]21 ZINC000453040086 320260584 /nfs/dbraw/zinc/26/05/84/320260584.db2.gz SQRCYVMCEJSNIT-NEWSRXKRSA-N 2 1 343.471 1.347 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCC[NH+]3Cc3ccccc3)C[C@@H]21 ZINC000454507324 320290019 /nfs/dbraw/zinc/29/00/19/320290019.db2.gz ADOIYRSDRCXFOT-QYZOEREBSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)C[C@@H]21 ZINC000454507324 320290020 /nfs/dbraw/zinc/29/00/20/320290020.db2.gz ADOIYRSDRCXFOT-QYZOEREBSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)C[C@@H]21 ZINC000454507324 320290022 /nfs/dbraw/zinc/29/00/22/320290022.db2.gz ADOIYRSDRCXFOT-QYZOEREBSA-N 2 1 342.487 1.997 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454611361 320291408 /nfs/dbraw/zinc/29/14/08/320291408.db2.gz QWDUEQJWEOQKMR-UHFFFAOYSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000457580822 320329127 /nfs/dbraw/zinc/32/91/27/320329127.db2.gz PJKMCOCLIIBUFP-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NCC[C@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000457580822 320329128 /nfs/dbraw/zinc/32/91/28/320329128.db2.gz PJKMCOCLIIBUFP-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000457580822 320329129 /nfs/dbraw/zinc/32/91/29/320329129.db2.gz PJKMCOCLIIBUFP-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000462887805 320352365 /nfs/dbraw/zinc/35/23/65/320352365.db2.gz KGUWOHZIRASFGK-ZOCIIQOWSA-N 2 1 327.472 1.938 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000462887805 320352366 /nfs/dbraw/zinc/35/23/66/320352366.db2.gz KGUWOHZIRASFGK-ZOCIIQOWSA-N 2 1 327.472 1.938 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(=O)[nH]1 ZINC000471967822 320353232 /nfs/dbraw/zinc/35/32/32/320353232.db2.gz MUEXFPXNAWLDMK-LBPRGKRZSA-N 2 1 326.466 1.337 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000489330998 320359166 /nfs/dbraw/zinc/35/91/66/320359166.db2.gz PSYFCOJTJOUBBL-XDNAFOTISA-N 2 1 339.524 1.919 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCN(C)[C@@H](C(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000489330998 320359167 /nfs/dbraw/zinc/35/91/67/320359167.db2.gz PSYFCOJTJOUBBL-XDNAFOTISA-N 2 1 339.524 1.919 20 0 EDADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCC(=O)N2 ZINC000286251199 443677094 /nfs/dbraw/zinc/67/70/94/443677094.db2.gz UKJNTCNARFBLJI-ZBFHGGJFSA-N 2 1 347.459 1.905 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280812256 443748799 /nfs/dbraw/zinc/74/87/99/443748799.db2.gz MDMIGDXARVNIKH-QUCCMNQESA-N 2 1 327.472 1.941 20 0 EDADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cn3cccnc3n2)c1 ZINC000298437456 443769310 /nfs/dbraw/zinc/76/93/10/443769310.db2.gz NGANYLLUZGWJAY-UHFFFAOYSA-N 2 1 325.416 1.960 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CC[N@H+]1C ZINC000281026239 443799362 /nfs/dbraw/zinc/79/93/62/443799362.db2.gz UVCNUQZAYRCISZ-RDJZCZTQSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000288111933 443774760 /nfs/dbraw/zinc/77/47/60/443774760.db2.gz VPBFKADTSFWHDG-RYQLBKOJSA-N 2 1 348.491 1.119 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)c2ccccc2OCC[NH+](C)C)[N@@H+](C)C1 ZINC000285069299 443843487 /nfs/dbraw/zinc/84/34/87/443843487.db2.gz KJHONFFMGVAJSV-HOTGVXAUSA-N 2 1 349.475 1.418 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000293013029 443902990 /nfs/dbraw/zinc/90/29/90/443902990.db2.gz HPXWJDZHKUEVQY-RTBURBONSA-N 2 1 335.467 1.441 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2cccc(O)c2)CC1 ZINC000540958620 320766846 /nfs/dbraw/zinc/76/68/46/320766846.db2.gz SUMPPYNDCSFXOH-UHFFFAOYSA-N 2 1 326.400 1.720 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)cn2cc[nH+]c12 ZINC000293305642 443978729 /nfs/dbraw/zinc/97/87/29/443978729.db2.gz GUNYSUVVXPAKQT-UHFFFAOYSA-N 2 1 343.431 1.572 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)cn2cc[nH+]c12 ZINC000293305642 443978734 /nfs/dbraw/zinc/97/87/34/443978734.db2.gz GUNYSUVVXPAKQT-UHFFFAOYSA-N 2 1 343.431 1.572 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCO[C@@H](C[NH3+])C2)CCC1 ZINC000561217466 321036622 /nfs/dbraw/zinc/03/66/22/321036622.db2.gz ZBBVGGHGYCFHRH-KRWDZBQOSA-N 2 1 346.475 1.410 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000563886026 321114621 /nfs/dbraw/zinc/11/46/21/321114621.db2.gz ZYVAIZPVYVSPQL-IRXDYDNUSA-N 2 1 346.475 1.170 20 0 EDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564857349 321152023 /nfs/dbraw/zinc/15/20/23/321152023.db2.gz KCDYGBZXUAUAGU-LSDHHAIUSA-N 2 1 336.432 1.477 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564931448 321158412 /nfs/dbraw/zinc/15/84/12/321158412.db2.gz LXYPLPDWGYEIOI-NRSFXHEJSA-N 2 1 331.460 1.390 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564931444 321158617 /nfs/dbraw/zinc/15/86/17/321158617.db2.gz LXYPLPDWGYEIOI-LAVFITLUSA-N 2 1 331.460 1.390 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000565360877 321183479 /nfs/dbraw/zinc/18/34/79/321183479.db2.gz CADGWNUHLBQPLH-HOTGVXAUSA-N 2 1 337.508 1.914 20 0 EDADMP CC[C@]1(C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000567982660 321271437 /nfs/dbraw/zinc/27/14/37/321271437.db2.gz IIDOKCFOUTZYME-XKGZKEIXSA-N 2 1 345.487 1.924 20 0 EDADMP CC[C@]1(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000567982660 321271439 /nfs/dbraw/zinc/27/14/39/321271439.db2.gz IIDOKCFOUTZYME-XKGZKEIXSA-N 2 1 345.487 1.924 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NCCC[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000568087273 321276461 /nfs/dbraw/zinc/27/64/61/321276461.db2.gz YNFMAPTWDFMPNK-OALUTQOASA-N 2 1 344.503 1.624 20 0 EDADMP COc1cc2c(cc1CNC[C@@H]1CCCC[N@@H+]1CCO)O[C@@H](C)C2 ZINC000568473413 321292568 /nfs/dbraw/zinc/29/25/68/321292568.db2.gz DEICENUPCKGCES-YOEHRIQHSA-N 2 1 334.460 1.955 20 0 EDADMP COc1cc2c(cc1CNC[C@@H]1CCCC[N@H+]1CCO)O[C@@H](C)C2 ZINC000568473413 321292569 /nfs/dbraw/zinc/29/25/69/321292569.db2.gz DEICENUPCKGCES-YOEHRIQHSA-N 2 1 334.460 1.955 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000568474919 321292714 /nfs/dbraw/zinc/29/27/14/321292714.db2.gz LSVBEIRVPBNUNU-RCCFBDPRSA-N 2 1 337.508 1.602 20 0 EDADMP c1cnn(CC[NH+]2CCCC3(CCC[N@@H+](CCn4cccn4)C3)C2)c1 ZINC000289361001 444118307 /nfs/dbraw/zinc/11/83/07/444118307.db2.gz ADDMQRBOCAJONV-UHFFFAOYSA-N 2 1 342.491 1.958 20 0 EDADMP c1cnn(CC[NH+]2CCCC3(CCC[N@H+](CCn4cccn4)C3)C2)c1 ZINC000289361001 444118309 /nfs/dbraw/zinc/11/83/09/444118309.db2.gz ADDMQRBOCAJONV-UHFFFAOYSA-N 2 1 342.491 1.958 20 0 EDADMP CN(C)c1nc(N2CCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)cc[nH+]1 ZINC000571557153 321392372 /nfs/dbraw/zinc/39/23/72/321392372.db2.gz FHPCFWLTAKOHPL-GJZGRUSLSA-N 2 1 346.479 1.099 20 0 EDADMP C[NH+](C)[C@@H](CN1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O)c1ccccc1 ZINC000285781121 444106561 /nfs/dbraw/zinc/10/65/61/444106561.db2.gz CNCBEAFVNWQZKW-GJZGRUSLSA-N 2 1 327.388 1.176 20 0 EDADMP CN(CCC[N@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1)CC[NH+](C)C ZINC000289351439 444115050 /nfs/dbraw/zinc/11/50/50/444115050.db2.gz GFXYSLQUFSMPFB-LJQANCHMSA-N 2 1 346.519 1.822 20 0 EDADMP CN(CCC[N@@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1)CC[NH+](C)C ZINC000289351439 444115055 /nfs/dbraw/zinc/11/50/55/444115055.db2.gz GFXYSLQUFSMPFB-LJQANCHMSA-N 2 1 346.519 1.822 20 0 EDADMP CN(CCC[N@@H+](C)C[C@H](O)COCc1ccccc1)CC[NH+](C)C ZINC000289420156 444138421 /nfs/dbraw/zinc/13/84/21/444138421.db2.gz MPSIEYWYWIYTTE-IBGZPJMESA-N 2 1 337.508 1.379 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC000285893394 444144728 /nfs/dbraw/zinc/14/47/28/444144728.db2.gz AXSSKKAQEQIAIH-UHFFFAOYSA-N 2 1 344.459 1.571 20 0 EDADMP CN(CCC[N@@H+](C)C[C@H](O)c1c(F)cccc1F)CC[NH+](C)C ZINC000289452789 444148067 /nfs/dbraw/zinc/14/80/67/444148067.db2.gz PGBSQXUKIPVXSW-INIZCTEOSA-N 2 1 329.435 1.814 20 0 EDADMP C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC000285939989 444159116 /nfs/dbraw/zinc/15/91/16/444159116.db2.gz VNCHSXKBDONZIP-RTBURBONSA-N 2 1 343.471 1.828 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000296325357 444220668 /nfs/dbraw/zinc/22/06/68/444220668.db2.gz HIUCNWBIWARUAW-OAHLLOKOSA-N 2 1 346.475 1.079 20 0 EDADMP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289704631 444193328 /nfs/dbraw/zinc/19/33/28/444193328.db2.gz BNLDZYMLMLROQL-KSZLIROESA-N 2 1 345.512 1.844 20 0 EDADMP O[C@@H](COC1CCOCC1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000304955474 444254492 /nfs/dbraw/zinc/25/44/92/444254492.db2.gz YTIRACUSHUSCGY-DLBZAZTESA-N 2 1 326.481 1.351 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000303271261 444235752 /nfs/dbraw/zinc/23/57/52/444235752.db2.gz JRMJUWSWMOPJLF-BBWFWOEESA-N 2 1 339.524 1.801 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000303319560 444236636 /nfs/dbraw/zinc/23/66/36/444236636.db2.gz USRWMJFKGHQYAH-HZPDHXFCSA-N 2 1 325.497 1.412 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC(C)(C)CC2)C1 ZINC000303956514 444238480 /nfs/dbraw/zinc/23/84/80/444238480.db2.gz XOAUZAMVZGFNRF-KRWDZBQOSA-N 2 1 339.524 1.972 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC(C)(C)CC2)C1 ZINC000303956514 444238482 /nfs/dbraw/zinc/23/84/82/444238482.db2.gz XOAUZAMVZGFNRF-KRWDZBQOSA-N 2 1 339.524 1.972 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC(C)(C)CC2)C1 ZINC000303956514 444238483 /nfs/dbraw/zinc/23/84/83/444238483.db2.gz XOAUZAMVZGFNRF-KRWDZBQOSA-N 2 1 339.524 1.972 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000296582469 444240018 /nfs/dbraw/zinc/24/00/18/444240018.db2.gz WYDYYVNHDGRRKD-HKUYNNGSSA-N 2 1 346.519 1.870 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000296582469 444240020 /nfs/dbraw/zinc/24/00/20/444240020.db2.gz WYDYYVNHDGRRKD-HKUYNNGSSA-N 2 1 346.519 1.870 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000296582469 444240022 /nfs/dbraw/zinc/24/00/22/444240022.db2.gz WYDYYVNHDGRRKD-HKUYNNGSSA-N 2 1 346.519 1.870 20 0 EDADMP O=C(NCC[NH+]1CCC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000337726577 444376524 /nfs/dbraw/zinc/37/65/24/444376524.db2.gz UJJVSONAZGHODN-SFHVURJKSA-N 2 1 330.476 1.556 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000331235185 444453383 /nfs/dbraw/zinc/45/33/83/444453383.db2.gz SVFNKAYTLNMMQN-INIZCTEOSA-N 2 1 339.505 1.899 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000331236442 444454003 /nfs/dbraw/zinc/45/40/03/444454003.db2.gz HHDZVFUAPSHGLK-OAHLLOKOSA-N 2 1 343.475 1.853 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CC[NH2+]C3CC3)c2)CCO1 ZINC000580215979 322025040 /nfs/dbraw/zinc/02/50/40/322025040.db2.gz JOYWPTTUDFXXFK-HNNXBMFYSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CC[NH2+]C3CC3)c2)CCO1 ZINC000580215979 322025042 /nfs/dbraw/zinc/02/50/42/322025042.db2.gz JOYWPTTUDFXXFK-HNNXBMFYSA-N 2 1 331.460 1.666 20 0 EDADMP CC[C@H](O)C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000580552952 322066174 /nfs/dbraw/zinc/06/61/74/322066174.db2.gz IYUQCQBKSVUNDQ-KRWDZBQOSA-N 2 1 335.448 1.208 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000580830843 322100941 /nfs/dbraw/zinc/10/09/41/322100941.db2.gz RHSPWIQNSZUVOM-MLGOLLRUSA-N 2 1 330.432 1.215 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000580830843 322100943 /nfs/dbraw/zinc/10/09/43/322100943.db2.gz RHSPWIQNSZUVOM-MLGOLLRUSA-N 2 1 330.432 1.215 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580881910 322107061 /nfs/dbraw/zinc/10/70/61/322107061.db2.gz GBYNYQLPNRVSTG-BPQIPLTHSA-N 2 1 330.476 1.806 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000581992277 322241742 /nfs/dbraw/zinc/24/17/42/322241742.db2.gz PUIDCONPIHMJEI-ZIAGYGMSSA-N 2 1 339.509 1.073 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000338283145 444611016 /nfs/dbraw/zinc/61/10/16/444611016.db2.gz HFYDESDXJHASDD-HLLBOEOZSA-N 2 1 341.521 1.217 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000338283145 444611018 /nfs/dbraw/zinc/61/10/18/444611018.db2.gz HFYDESDXJHASDD-HLLBOEOZSA-N 2 1 341.521 1.217 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000338283145 444611019 /nfs/dbraw/zinc/61/10/19/444611019.db2.gz HFYDESDXJHASDD-HLLBOEOZSA-N 2 1 341.521 1.217 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[N@H+]1C ZINC000332971625 444616536 /nfs/dbraw/zinc/61/65/36/444616536.db2.gz BPBFIJCTCPFJOC-SIXLDLHFSA-N 2 1 338.496 1.146 20 0 EDADMP CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000338310096 444624569 /nfs/dbraw/zinc/62/45/69/444624569.db2.gz YYPUOIBBGSLIRW-NXHRZFHOSA-N 2 1 337.508 1.676 20 0 EDADMP CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000338310096 444624571 /nfs/dbraw/zinc/62/45/71/444624571.db2.gz YYPUOIBBGSLIRW-NXHRZFHOSA-N 2 1 337.508 1.676 20 0 EDADMP CC[C@@H](COC)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000341171523 444709484 /nfs/dbraw/zinc/70/94/84/444709484.db2.gz XCXVJEYQQZEHFW-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)[C@H]1C ZINC000333895157 444711140 /nfs/dbraw/zinc/71/11/40/444711140.db2.gz YCGKJWGHCFHDKK-ILOCAZANSA-N 2 1 349.519 1.628 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)C1 ZINC000344008460 444724392 /nfs/dbraw/zinc/72/43/92/444724392.db2.gz JNJQBPAQNCAIIT-HOTGVXAUSA-N 2 1 343.537 1.383 20 0 EDADMP C[C@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)C[NH+]1CCOCC1 ZINC000333597602 444683984 /nfs/dbraw/zinc/68/39/84/444683984.db2.gz PFVHLLCMAAIXEW-NVXWUHKLSA-N 2 1 338.496 1.128 20 0 EDADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000342422563 444685730 /nfs/dbraw/zinc/68/57/30/444685730.db2.gz HASWXRHJJAPJFR-HOCLYGCPSA-N 2 1 325.522 1.614 20 0 EDADMP C[C@H]1CC2(C[N@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1)CC[NH2+]CC2 ZINC000333634050 444687286 /nfs/dbraw/zinc/68/72/86/444687286.db2.gz WGBJIIPKUDSRRZ-LSDHHAIUSA-N 2 1 329.510 1.122 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000342556574 444743329 /nfs/dbraw/zinc/74/33/29/444743329.db2.gz XWVSDMGQEMJCEM-KRWDZBQOSA-N 2 1 326.529 1.449 20 0 EDADMP C[C@@H](O)[C@H]1CCN(c2cc(NCC[N@H+]3CCC[C@@H](C)C3)ncn2)C1 ZINC000334058786 444765528 /nfs/dbraw/zinc/76/55/28/444765528.db2.gz XJWIDIARENKMIW-OAGGEKHMSA-N 2 1 333.480 1.828 20 0 EDADMP C[NH2+]CCC[N@H+](C)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000336854771 444803473 /nfs/dbraw/zinc/80/34/73/444803473.db2.gz RDRISVNKHKQLNK-UHFFFAOYSA-N 2 1 329.828 1.254 20 0 EDADMP C[NH2+]CCC[N@@H+](C)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000336854771 444803476 /nfs/dbraw/zinc/80/34/76/444803476.db2.gz RDRISVNKHKQLNK-UHFFFAOYSA-N 2 1 329.828 1.254 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000330027151 444816351 /nfs/dbraw/zinc/81/63/51/444816351.db2.gz MQCLTSBGBXXWPF-UHFFFAOYSA-N 2 1 344.463 1.636 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC1CCS(=O)(=O)CC1 ZINC000344116896 444790272 /nfs/dbraw/zinc/79/02/72/444790272.db2.gz AYZKCHZHXFRSEQ-UHFFFAOYSA-N 2 1 345.553 1.161 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342713686 444829967 /nfs/dbraw/zinc/82/99/67/444829967.db2.gz TUWHQQSICFPHGY-UHFFFAOYSA-N 2 1 347.503 1.927 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000344205313 444838600 /nfs/dbraw/zinc/83/86/00/444838600.db2.gz RCLAOKAEXISRIP-APWZRJJASA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000344205313 444838604 /nfs/dbraw/zinc/83/86/04/444838604.db2.gz RCLAOKAEXISRIP-APWZRJJASA-N 2 1 345.487 1.865 20 0 EDADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+]CC2(F)F)[NH+](C)C)cc1 ZINC000342764960 444854727 /nfs/dbraw/zinc/85/47/27/444854727.db2.gz KYUHDKXNJLROKF-GJZGRUSLSA-N 2 1 325.403 1.959 20 0 EDADMP C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000342713408 444828775 /nfs/dbraw/zinc/82/87/75/444828775.db2.gz SQSLPXKQECVHOS-OAHLLOKOSA-N 2 1 341.402 1.488 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000337449557 445086536 /nfs/dbraw/zinc/08/65/36/445086536.db2.gz JYKJJBHMZNOORU-GDBMZVCRSA-N 2 1 327.856 1.372 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000343157541 445103470 /nfs/dbraw/zinc/10/34/70/445103470.db2.gz FSLBHFKZWYXFKK-KRWDZBQOSA-N 2 1 333.480 1.869 20 0 EDADMP CCc1nocc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000339271879 445128119 /nfs/dbraw/zinc/12/81/19/445128119.db2.gz MWQZRLYKYLFJDS-UHFFFAOYSA-N 2 1 330.432 1.818 20 0 EDADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342098571 445171757 /nfs/dbraw/zinc/17/17/57/445171757.db2.gz ILAOJTFGJLLREP-COMQUAJESA-N 2 1 348.422 1.922 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCC[N@H+]1C ZINC000345755382 445198186 /nfs/dbraw/zinc/19/81/86/445198186.db2.gz RYHXOSIWCCQREY-IRXDYDNUSA-N 3 1 341.544 1.384 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000343428211 445221125 /nfs/dbraw/zinc/22/11/25/445221125.db2.gz ATLKOKPYZJCTSN-ZIFCJYIRSA-N 2 1 344.503 1.701 20 0 EDADMP COC(=O)c1ccc(N2CC[N@H+](C[C@H]3CCC[NH2+]C3)[C@H](C)C2)cc1 ZINC000346844016 445226457 /nfs/dbraw/zinc/22/64/57/445226457.db2.gz KNFCVXFRZFECIQ-CVEARBPZSA-N 2 1 331.460 1.983 20 0 EDADMP COC(=O)c1ccc(N2CC[N@@H+](C[C@H]3CCC[NH2+]C3)[C@H](C)C2)cc1 ZINC000346844016 445226459 /nfs/dbraw/zinc/22/64/59/445226459.db2.gz KNFCVXFRZFECIQ-CVEARBPZSA-N 2 1 331.460 1.983 20 0 EDADMP C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H](C)[NH+]1C ZINC000343487864 445232566 /nfs/dbraw/zinc/23/25/66/445232566.db2.gz VCJQTWGYRRJJSI-KBPBESRZSA-N 2 1 332.448 1.238 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)[C@@H](C)C1 ZINC000347194512 445233941 /nfs/dbraw/zinc/23/39/41/445233941.db2.gz GYYBRPIFNMBSQO-GJZGRUSLSA-N 2 1 336.480 1.561 20 0 EDADMP C[C@H]([NH2+]CCNc1cnccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348099170 445267706 /nfs/dbraw/zinc/26/77/06/445267706.db2.gz WFOPQRAZIZQBPG-FUHWJXTLSA-N 2 1 325.460 2.389 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1nccn1C ZINC000348115367 445275580 /nfs/dbraw/zinc/27/55/80/445275580.db2.gz JACWUWABGQZQHT-HZPDHXFCSA-N 2 1 334.443 1.469 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1nccn1C ZINC000348115367 445275583 /nfs/dbraw/zinc/27/55/83/445275583.db2.gz JACWUWABGQZQHT-HZPDHXFCSA-N 2 1 334.443 1.469 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000351738942 445301238 /nfs/dbraw/zinc/30/12/38/445301238.db2.gz SVKXFFYMSOGINT-IKGGRYGDSA-N 2 1 339.528 1.137 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000351738942 445301241 /nfs/dbraw/zinc/30/12/41/445301241.db2.gz SVKXFFYMSOGINT-IKGGRYGDSA-N 2 1 339.528 1.137 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000351738942 445301245 /nfs/dbraw/zinc/30/12/45/445301245.db2.gz SVKXFFYMSOGINT-IKGGRYGDSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000351850171 445342865 /nfs/dbraw/zinc/34/28/65/445342865.db2.gz IDRGAHVZMYUCML-CABCVRRESA-N 2 1 336.505 1.061 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000351850171 445342868 /nfs/dbraw/zinc/34/28/68/445342868.db2.gz IDRGAHVZMYUCML-CABCVRRESA-N 2 1 336.505 1.061 20 0 EDADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351858943 445345294 /nfs/dbraw/zinc/34/52/94/445345294.db2.gz FAHNMSLXTAUQBP-OWCLPIDISA-N 2 1 347.459 1.344 20 0 EDADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351858943 445345296 /nfs/dbraw/zinc/34/52/96/445345296.db2.gz FAHNMSLXTAUQBP-OWCLPIDISA-N 2 1 347.459 1.344 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000351858571 445345395 /nfs/dbraw/zinc/34/53/95/445345395.db2.gz AYDMUQBDNMJJAQ-ZFWWWQNUSA-N 2 1 335.448 1.331 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000351858571 445345396 /nfs/dbraw/zinc/34/53/96/445345396.db2.gz AYDMUQBDNMJJAQ-ZFWWWQNUSA-N 2 1 335.448 1.331 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)CCCOc2ccc(F)cc2)C1 ZINC000351862448 445346502 /nfs/dbraw/zinc/34/65/02/445346502.db2.gz OZSAXGDERHJTNA-LSDHHAIUSA-N 2 1 337.439 1.722 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)CCCOc2ccc(F)cc2)C1 ZINC000351862448 445346504 /nfs/dbraw/zinc/34/65/04/445346504.db2.gz OZSAXGDERHJTNA-LSDHHAIUSA-N 2 1 337.439 1.722 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351864272 445347179 /nfs/dbraw/zinc/34/71/79/445347179.db2.gz XGTOBZAXBQGHQL-HUUCEWRRSA-N 2 1 335.448 1.249 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351864272 445347182 /nfs/dbraw/zinc/34/71/82/445347182.db2.gz XGTOBZAXBQGHQL-HUUCEWRRSA-N 2 1 335.448 1.249 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000351879042 445351664 /nfs/dbraw/zinc/35/16/64/445351664.db2.gz IPQJKVKSCGQZQN-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)O1 ZINC000362506731 445416704 /nfs/dbraw/zinc/41/67/04/445416704.db2.gz NISLXNNZMXKMEQ-ZACQAIPSSA-N 2 1 325.497 1.819 20 0 EDADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC1)CC1CC1 ZINC000357092458 445423227 /nfs/dbraw/zinc/42/32/27/445423227.db2.gz YOEUMNPMWNVXPC-AWEZNQCLSA-N 2 1 338.496 1.665 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357100366 445428083 /nfs/dbraw/zinc/42/80/83/445428083.db2.gz BUFRNXSXSKKKMS-HZPDHXFCSA-N 2 1 347.459 1.251 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357100366 445428086 /nfs/dbraw/zinc/42/80/86/445428086.db2.gz BUFRNXSXSKKKMS-HZPDHXFCSA-N 2 1 347.459 1.251 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351933755 445383965 /nfs/dbraw/zinc/38/39/65/445383965.db2.gz DNGDOTDTCMCVSC-MDZRGWNJSA-N 2 1 345.487 1.468 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000357039161 445388079 /nfs/dbraw/zinc/38/80/79/445388079.db2.gz MTZAOMJZBXALIE-MRXNPFEDSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCOC3C[NH2+]C3)cc2)C1 ZINC000349004356 445472958 /nfs/dbraw/zinc/47/29/58/445472958.db2.gz RPGIAWHOKRMMPF-OAHLLOKOSA-N 2 1 347.459 1.724 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[NH2+]Cc2cccc(O)c2)cc[nH+]1 ZINC000354929868 445433882 /nfs/dbraw/zinc/43/38/82/445433882.db2.gz WJDMRKICOZJKAX-LSDHHAIUSA-N 2 1 345.422 1.955 20 0 EDADMP COCC(C)(C)C[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354936775 445434804 /nfs/dbraw/zinc/43/48/04/445434804.db2.gz ZOJAQXKPZUPNSQ-KBPBESRZSA-N 2 1 339.459 1.722 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000352016256 445440593 /nfs/dbraw/zinc/44/05/93/445440593.db2.gz WBEJFTAECZAEJX-SJORKVTESA-N 2 1 344.503 1.993 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000362569792 445445009 /nfs/dbraw/zinc/44/50/09/445445009.db2.gz OWQWRPGLZXESEC-HUUCEWRRSA-N 2 1 325.522 1.662 20 0 EDADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCCCC[NH+]1CCC[C@H]1CO ZINC000355262374 445452536 /nfs/dbraw/zinc/45/25/36/445452536.db2.gz DEBLDKWEAJOBEV-IRXDYDNUSA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+]1CCCC[C@H]1CCC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000355262374 445452537 /nfs/dbraw/zinc/45/25/37/445452537.db2.gz DEBLDKWEAJOBEV-IRXDYDNUSA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+]1CCCC[C@H]1CCC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000355262374 445452543 /nfs/dbraw/zinc/45/25/43/445452543.db2.gz DEBLDKWEAJOBEV-IRXDYDNUSA-N 2 1 325.497 1.604 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000355588243 445469271 /nfs/dbraw/zinc/46/92/71/445469271.db2.gz MBTFUIUFQBZMIB-IKGGRYGDSA-N 2 1 345.491 1.245 20 0 EDADMP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000362708382 445511347 /nfs/dbraw/zinc/51/13/47/445511347.db2.gz BFMSUQABGJPTBA-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000362708382 445511350 /nfs/dbraw/zinc/51/13/50/445511350.db2.gz BFMSUQABGJPTBA-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)C1 ZINC000362708382 445511353 /nfs/dbraw/zinc/51/13/53/445511353.db2.gz BFMSUQABGJPTBA-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)C1 ZINC000362708382 445511356 /nfs/dbraw/zinc/51/13/56/445511356.db2.gz BFMSUQABGJPTBA-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP CO[C@H](C)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000360014215 445529546 /nfs/dbraw/zinc/52/95/46/445529546.db2.gz CBHVVMJFWQLHPQ-QGZVFWFLSA-N 2 1 347.503 1.982 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000359924247 445490951 /nfs/dbraw/zinc/49/09/51/445490951.db2.gz NBGFXBQLBSVPRH-HOTGVXAUSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000359924247 445490954 /nfs/dbraw/zinc/49/09/54/445490954.db2.gz NBGFXBQLBSVPRH-HOTGVXAUSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000359924247 445490958 /nfs/dbraw/zinc/49/09/58/445490958.db2.gz NBGFXBQLBSVPRH-HOTGVXAUSA-N 2 1 342.528 1.593 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000357226239 445492207 /nfs/dbraw/zinc/49/22/07/445492207.db2.gz DWEREKNTCYNLFP-UHFFFAOYSA-N 2 1 349.479 1.031 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000357240121 445500392 /nfs/dbraw/zinc/50/03/92/445500392.db2.gz JLUHYEREABWFJZ-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP CCCN(CC[NH+](CC)CC)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000360109173 445572196 /nfs/dbraw/zinc/57/21/96/445572196.db2.gz DPJRKDQENBTELM-UHFFFAOYSA-N 2 1 338.500 1.750 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000360125103 445581304 /nfs/dbraw/zinc/58/13/04/445581304.db2.gz NQTPXWOVHOUCEB-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@H+]1C ZINC000362856708 445582836 /nfs/dbraw/zinc/58/28/36/445582836.db2.gz SHXBORPCVLPBKJ-GOEBONIOSA-N 2 1 328.526 1.405 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]([NH+](C)CCO)[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000356070329 445601717 /nfs/dbraw/zinc/60/17/17/445601717.db2.gz RPZACNGAZHELBE-QRQLOZEOSA-N 2 1 347.503 1.811 20 0 EDADMP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000353473838 445618939 /nfs/dbraw/zinc/61/89/39/445618939.db2.gz SPHIEZJYPIGDJR-IIDMSEBBSA-N 2 1 333.476 1.895 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000362943916 445620893 /nfs/dbraw/zinc/62/08/93/445620893.db2.gz KVLHJKZDJRUKCT-XGXHKWSGSA-N 2 1 345.487 1.183 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000362943916 445620896 /nfs/dbraw/zinc/62/08/96/445620896.db2.gz KVLHJKZDJRUKCT-XGXHKWSGSA-N 2 1 345.487 1.183 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnn(CC(F)F)c1 ZINC000353499835 445630338 /nfs/dbraw/zinc/63/03/38/445630338.db2.gz DMPWGIZOZFJMBE-MRXNPFEDSA-N 2 1 343.466 1.996 20 0 EDADMP O=C(NCCNc1cc[nH+]cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000356125195 445635450 /nfs/dbraw/zinc/63/54/50/445635450.db2.gz OWOCXUUESCFQJG-SFHVURJKSA-N 2 1 339.443 1.489 20 0 EDADMP CCc1nn(C)cc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000356053059 445592504 /nfs/dbraw/zinc/59/25/04/445592504.db2.gz WGPGCIXTCQJESB-HNNXBMFYSA-N 2 1 335.496 1.471 20 0 EDADMP COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000353638905 445687057 /nfs/dbraw/zinc/68/70/57/445687057.db2.gz BZBYSKCKKCTPNX-OGWOLHLISA-N 2 1 336.476 1.927 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[N@@H+](CC)CC3)cc2)CC1 ZINC000363178772 445708681 /nfs/dbraw/zinc/70/86/81/445708681.db2.gz WRVQCWYNMRQQRA-UHFFFAOYSA-N 2 1 344.503 1.996 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[NH+](C)C1CC1 ZINC000356360984 445752336 /nfs/dbraw/zinc/75/23/36/445752336.db2.gz XPYSZYOBISZWLO-HNNXBMFYSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000356360984 445752340 /nfs/dbraw/zinc/75/23/40/445752340.db2.gz XPYSZYOBISZWLO-HNNXBMFYSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000356360984 445752344 /nfs/dbraw/zinc/75/23/44/445752344.db2.gz XPYSZYOBISZWLO-HNNXBMFYSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@@H](CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000356360984 445752349 /nfs/dbraw/zinc/75/23/49/445752349.db2.gz XPYSZYOBISZWLO-HNNXBMFYSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H](CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000356360984 445752352 /nfs/dbraw/zinc/75/23/52/445752352.db2.gz XPYSZYOBISZWLO-HNNXBMFYSA-N 2 1 339.528 1.137 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000358739490 445752916 /nfs/dbraw/zinc/75/29/16/445752916.db2.gz CFXJHNGTOQINQS-MRXNPFEDSA-N 2 1 340.512 1.207 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)c1csc(CC[NH3+])n1)[NH+](C)C ZINC000358865985 445819784 /nfs/dbraw/zinc/81/97/84/445819784.db2.gz OZJIGIDLIQCQIC-AWEZNQCLSA-N 2 1 348.472 1.686 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)CC1 ZINC000363481452 445823120 /nfs/dbraw/zinc/82/31/20/445823120.db2.gz SCGAIBIRDOCLMQ-UXHICEINSA-N 2 1 331.504 1.549 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000350151948 445780981 /nfs/dbraw/zinc/78/09/81/445780981.db2.gz JGOULZBYHLVPRI-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000350151948 445780982 /nfs/dbraw/zinc/78/09/82/445780982.db2.gz JGOULZBYHLVPRI-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361507322 445793575 /nfs/dbraw/zinc/79/35/75/445793575.db2.gz DHSGQZXFCWJDFA-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361507322 445793577 /nfs/dbraw/zinc/79/35/77/445793577.db2.gz DHSGQZXFCWJDFA-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000350255776 445801477 /nfs/dbraw/zinc/80/14/77/445801477.db2.gz UGAGDPJXKHXQEX-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000350255776 445801482 /nfs/dbraw/zinc/80/14/82/445801482.db2.gz UGAGDPJXKHXQEX-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)[NH+](C)C ZINC000364548003 445931178 /nfs/dbraw/zinc/93/11/78/445931178.db2.gz SRBLGAGGULNKLN-YLFCFFPRSA-N 2 1 325.497 1.578 20 0 EDADMP Cc1ccc(CCC[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000354133525 445931956 /nfs/dbraw/zinc/93/19/56/445931956.db2.gz GRSCJXAYHDDJMK-SFHVURJKSA-N 2 1 332.492 1.855 20 0 EDADMP Cc1ccc(CCC[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000354133525 445931960 /nfs/dbraw/zinc/93/19/60/445931960.db2.gz GRSCJXAYHDDJMK-SFHVURJKSA-N 2 1 332.492 1.855 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](CCOC)C2)C[C@@H]1C ZINC000361791982 445949667 /nfs/dbraw/zinc/94/96/67/445949667.db2.gz HROIGJMBMIVABL-JYJNAYRXSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C[C@@H]1C ZINC000361791982 445949670 /nfs/dbraw/zinc/94/96/70/445949670.db2.gz HROIGJMBMIVABL-JYJNAYRXSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C[C@@H]1C ZINC000361792593 445950359 /nfs/dbraw/zinc/95/03/59/445950359.db2.gz OBWBWBURDVRITJ-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@H+]2CCOC)C[C@@H]1C ZINC000361792593 445950368 /nfs/dbraw/zinc/95/03/68/445950368.db2.gz OBWBWBURDVRITJ-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP COC(=O)[C@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC000354244436 446041194 /nfs/dbraw/zinc/04/11/94/446041194.db2.gz PPMKSPCKQJZEAH-GJZGRUSLSA-N 2 1 326.437 1.147 20 0 EDADMP C[C@H](NC(=O)N(C)CCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583311671 326046785 /nfs/dbraw/zinc/04/67/85/326046785.db2.gz CNNHQTUVQGFASA-RDJZCZTQSA-N 2 1 334.464 1.266 20 0 EDADMP C[C@H](NC(=O)N(C)CCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583311671 326046786 /nfs/dbraw/zinc/04/67/86/326046786.db2.gz CNNHQTUVQGFASA-RDJZCZTQSA-N 2 1 334.464 1.266 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000365148059 446053655 /nfs/dbraw/zinc/05/36/55/446053655.db2.gz ZONLBECCGLKVNE-SJORKVTESA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)[NH2+]CCC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583497776 326084592 /nfs/dbraw/zinc/08/45/92/326084592.db2.gz HZIKOIAQESFTCD-AEFFLSMTSA-N 2 1 333.476 1.780 20 0 EDADMP CC(C)[NH2+]CCC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583497776 326084593 /nfs/dbraw/zinc/08/45/93/326084593.db2.gz HZIKOIAQESFTCD-AEFFLSMTSA-N 2 1 333.476 1.780 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC=C(c2cccc(OC)c2)CC1 ZINC000583572634 326098234 /nfs/dbraw/zinc/09/82/34/326098234.db2.gz SAXRDHYAYVSJRP-SFHVURJKSA-N 2 1 334.460 1.723 20 0 EDADMP COCCN(C)C[C@H](O)C[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000583572634 326098236 /nfs/dbraw/zinc/09/82/36/326098236.db2.gz SAXRDHYAYVSJRP-SFHVURJKSA-N 2 1 334.460 1.723 20 0 EDADMP COCCN(C)C[C@H](O)C[N@@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000583572634 326098238 /nfs/dbraw/zinc/09/82/38/326098238.db2.gz SAXRDHYAYVSJRP-SFHVURJKSA-N 2 1 334.460 1.723 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H]2CC[NH+](C)[C@H]2C1)Cc1ccccc1 ZINC000373191241 446087719 /nfs/dbraw/zinc/08/77/19/446087719.db2.gz QASJDPNZCSWLQW-MSOLQXFVSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1)Cc1ccccc1 ZINC000373191241 446087722 /nfs/dbraw/zinc/08/77/22/446087722.db2.gz QASJDPNZCSWLQW-MSOLQXFVSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1)Cc1ccccc1 ZINC000373191241 446087730 /nfs/dbraw/zinc/08/77/30/446087730.db2.gz QASJDPNZCSWLQW-MSOLQXFVSA-N 2 1 330.476 1.854 20 0 EDADMP CC[NH+](CC)CCC[NH+]1CCC(NC(=O)C2CCOCC2)CC1 ZINC000365189148 446071617 /nfs/dbraw/zinc/07/16/17/446071617.db2.gz JZTOKZPKBQRUNX-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351474162 446075205 /nfs/dbraw/zinc/07/52/05/446075205.db2.gz FSDJQPRELQPZKO-GLQYFDAESA-N 2 1 332.404 1.012 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351474162 446075212 /nfs/dbraw/zinc/07/52/12/446075212.db2.gz FSDJQPRELQPZKO-GLQYFDAESA-N 2 1 332.404 1.012 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000351478101 446079137 /nfs/dbraw/zinc/07/91/37/446079137.db2.gz OVOOWAPJYQYVCA-FAYQHZLMSA-N 2 1 349.450 1.850 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@H]2CC[NH+](C)[C@H]2C1)Cc1ccccc1 ZINC000373191247 446087621 /nfs/dbraw/zinc/08/76/21/446087621.db2.gz QASJDPNZCSWLQW-ROUUACIJSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1)Cc1ccccc1 ZINC000373191247 446087627 /nfs/dbraw/zinc/08/76/27/446087627.db2.gz QASJDPNZCSWLQW-ROUUACIJSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1)Cc1ccccc1 ZINC000373191247 446087631 /nfs/dbraw/zinc/08/76/31/446087631.db2.gz QASJDPNZCSWLQW-ROUUACIJSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351490573 446092844 /nfs/dbraw/zinc/09/28/44/446092844.db2.gz IJHDHVYWKKPHPX-VRKREXBASA-N 2 1 345.443 1.844 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351490573 446092850 /nfs/dbraw/zinc/09/28/50/446092850.db2.gz IJHDHVYWKKPHPX-VRKREXBASA-N 2 1 345.443 1.844 20 0 EDADMP COc1c(C)c[nH+]c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1C ZINC000369359406 446100921 /nfs/dbraw/zinc/10/09/21/446100921.db2.gz QYWMFQMQCDOLPK-KRWDZBQOSA-N 2 1 332.492 1.919 20 0 EDADMP COc1c(C)c[nH+]c(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000369359406 446100926 /nfs/dbraw/zinc/10/09/26/446100926.db2.gz QYWMFQMQCDOLPK-KRWDZBQOSA-N 2 1 332.492 1.919 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351497867 446103429 /nfs/dbraw/zinc/10/34/29/446103429.db2.gz VDNNSSZKAUGXOZ-IMPMIVQMSA-N 2 1 329.444 1.684 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351497867 446103434 /nfs/dbraw/zinc/10/34/34/446103434.db2.gz VDNNSSZKAUGXOZ-IMPMIVQMSA-N 2 1 329.444 1.684 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000356898501 446104845 /nfs/dbraw/zinc/10/48/45/446104845.db2.gz UXDQLGKWTCWANW-ZBFHGGJFSA-N 2 1 349.475 1.640 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000351502293 446107754 /nfs/dbraw/zinc/10/77/54/446107754.db2.gz ZRXNBFADCIYVKF-XHSDSOJGSA-N 2 1 347.459 1.032 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000351502293 446107760 /nfs/dbraw/zinc/10/77/60/446107760.db2.gz ZRXNBFADCIYVKF-XHSDSOJGSA-N 2 1 347.459 1.032 20 0 EDADMP COc1cc(NC(=O)CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(OC)c1OC ZINC000359279590 446115699 /nfs/dbraw/zinc/11/56/99/446115699.db2.gz PCCQNZBTCGIRRA-BETUJISGSA-N 2 1 349.431 1.192 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351568935 446166405 /nfs/dbraw/zinc/16/64/05/446166405.db2.gz SGPKDHKHVKKBQO-CQSZACIVSA-N 2 1 327.494 1.757 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000369660636 446142342 /nfs/dbraw/zinc/14/23/42/446142342.db2.gz KRXKELLLRGTWFE-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000369663081 446142873 /nfs/dbraw/zinc/14/28/73/446142873.db2.gz SKBQJOGPXXZQLV-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369663081 446142878 /nfs/dbraw/zinc/14/28/78/446142878.db2.gz SKBQJOGPXXZQLV-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369663081 446142881 /nfs/dbraw/zinc/14/28/81/446142881.db2.gz SKBQJOGPXXZQLV-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP COc1ccc(CNC(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000365544516 446248133 /nfs/dbraw/zinc/24/81/33/446248133.db2.gz GEBGFSPFVOWOHQ-NEWSRXKRSA-N 2 1 343.471 1.728 20 0 EDADMP CN(C(=O)CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000366619003 446283069 /nfs/dbraw/zinc/28/30/69/446283069.db2.gz DMOZNSRRUKTFMG-LJQANCHMSA-N 2 1 344.503 1.751 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000417334739 446346647 /nfs/dbraw/zinc/34/66/47/446346647.db2.gz FWEGVBNMPBPACF-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000359588898 446306852 /nfs/dbraw/zinc/30/68/52/446306852.db2.gz IMSCJOFIJYWYCY-WBVHZDCISA-N 2 1 346.475 1.721 20 0 EDADMP CCc1nc(CN2C[C@@H]3C[NH+](CC[C@H]4CCCC[N@H+]4C)C[C@H]3C2)no1 ZINC000370503527 446309245 /nfs/dbraw/zinc/30/92/45/446309245.db2.gz UQZHJMIDOGZWJD-YESZJQIVSA-N 2 1 347.507 1.870 20 0 EDADMP OC[C@@H]1CCC[N@H+]1C[C@H]1CCCN1CC1CCC2(CC1)OCCO2 ZINC000373812181 446335571 /nfs/dbraw/zinc/33/55/71/446335571.db2.gz KKRLZWGNQNWUIC-MSOLQXFVSA-N 2 1 338.492 1.841 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)[C@@H]1c1ccccc1 ZINC000417952255 446398848 /nfs/dbraw/zinc/39/88/48/446398848.db2.gz XXTBAHOJYFOGNB-XYJFISCASA-N 2 1 334.439 1.775 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)[C@@H]1c1ccccc1 ZINC000417952255 446398850 /nfs/dbraw/zinc/39/88/50/446398850.db2.gz XXTBAHOJYFOGNB-XYJFISCASA-N 2 1 334.439 1.775 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]C[C@H]1CCC=CO1 ZINC000365810412 446352038 /nfs/dbraw/zinc/35/20/38/446352038.db2.gz AOUVLKQDHLULIO-MRXNPFEDSA-N 2 1 333.480 1.653 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)Nc3cccnn3)CC2)CC1 ZINC000370612804 446358801 /nfs/dbraw/zinc/35/88/01/446358801.db2.gz RHFXOTNQPDJKFH-UHFFFAOYSA-N 2 1 346.479 1.794 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@@H]1CC[NH2+]C1 ZINC000417510607 446358807 /nfs/dbraw/zinc/35/88/07/446358807.db2.gz XJKGMPZVSCCAON-QZTJIDSGSA-N 2 1 330.476 1.460 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516838 446360362 /nfs/dbraw/zinc/36/03/62/446360362.db2.gz OVOSNLJKCULPKO-IRXDYDNUSA-N 2 1 334.464 1.357 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417581344 446365876 /nfs/dbraw/zinc/36/58/76/446365876.db2.gz HHTYPAVNFCHBAL-OAHLLOKOSA-N 2 1 340.512 1.789 20 0 EDADMP C[NH2+]CCNC(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417682402 446370494 /nfs/dbraw/zinc/37/04/94/446370494.db2.gz LFBUPRSINDFJLM-QGZVFWFLSA-N 2 1 332.492 1.978 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417744988 446371898 /nfs/dbraw/zinc/37/18/98/446371898.db2.gz DUBOKHOYYVMHQG-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417898406 446380401 /nfs/dbraw/zinc/38/04/01/446380401.db2.gz RMBHEHHRWSEKOO-BHYGNILZSA-N 2 1 334.464 1.312 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417898406 446380406 /nfs/dbraw/zinc/38/04/06/446380406.db2.gz RMBHEHHRWSEKOO-BHYGNILZSA-N 2 1 334.464 1.312 20 0 EDADMP C[C@H]1C[C@H](CCNC(=O)NCC2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000417914742 446384794 /nfs/dbraw/zinc/38/47/94/446384794.db2.gz AXFVAORMPZOQQV-RDJZCZTQSA-N 2 1 330.476 1.806 20 0 EDADMP COCC1(CNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC[NH2+]CC1 ZINC000417932170 446390409 /nfs/dbraw/zinc/39/04/09/446390409.db2.gz QJXWKVBMKYUZOB-MRXNPFEDSA-N 2 1 340.512 1.422 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000417935266 446390658 /nfs/dbraw/zinc/39/06/58/446390658.db2.gz GOLPQBSTMNZKBP-BDXSIMOUSA-N 2 1 328.460 1.683 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000370770628 446428393 /nfs/dbraw/zinc/42/83/93/446428393.db2.gz DRIRCCFCGUJNJE-SLPUSZQCSA-N 2 1 349.519 1.913 20 0 EDADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420244412 446429220 /nfs/dbraw/zinc/42/92/20/446429220.db2.gz DFJXCOIAEPSARK-XJKSGUPXSA-N 2 1 343.427 1.442 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418072562 446431177 /nfs/dbraw/zinc/43/11/77/446431177.db2.gz KRXMSHJTUUMVNV-WMZOPIPTSA-N 2 1 348.491 1.432 20 0 EDADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000431790334 446433392 /nfs/dbraw/zinc/43/33/92/446433392.db2.gz XEMXFWNUDLUREC-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000411255319 446447845 /nfs/dbraw/zinc/44/78/45/446447845.db2.gz PCNHASVPIBQIBX-AWEZNQCLSA-N 2 1 329.404 1.071 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000411255319 446447851 /nfs/dbraw/zinc/44/78/51/446447851.db2.gz PCNHASVPIBQIBX-AWEZNQCLSA-N 2 1 329.404 1.071 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000418005201 446412640 /nfs/dbraw/zinc/41/26/40/446412640.db2.gz DEYGSNGUMZUTDP-HHXXYDBFSA-N 2 1 348.466 1.850 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000418005201 446412643 /nfs/dbraw/zinc/41/26/43/446412643.db2.gz DEYGSNGUMZUTDP-HHXXYDBFSA-N 2 1 348.466 1.850 20 0 EDADMP Cc1cc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccn2C)n(C)n1 ZINC000418020757 446417324 /nfs/dbraw/zinc/41/73/24/446417324.db2.gz NUHHEQJDUDOJKX-HOCLYGCPSA-N 2 1 334.443 1.506 20 0 EDADMP Cc1cc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccn2C)n(C)n1 ZINC000418020757 446417329 /nfs/dbraw/zinc/41/73/29/446417329.db2.gz NUHHEQJDUDOJKX-HOCLYGCPSA-N 2 1 334.443 1.506 20 0 EDADMP Cc1c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000370762863 446422288 /nfs/dbraw/zinc/42/22/88/446422288.db2.gz CEMZIRXZWYOSDN-AWEZNQCLSA-N 2 1 346.479 1.258 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000418189592 446454485 /nfs/dbraw/zinc/45/44/85/446454485.db2.gz HXMGJUREEZCUHY-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP COCCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420302781 446465541 /nfs/dbraw/zinc/46/55/41/446465541.db2.gz CAMVMMHQDHPDFO-RBUKOAKNSA-N 2 1 347.503 1.811 20 0 EDADMP COCCCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420302781 446465545 /nfs/dbraw/zinc/46/55/45/446465545.db2.gz CAMVMMHQDHPDFO-RBUKOAKNSA-N 2 1 347.503 1.811 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+]1CCCCC1 ZINC000452781677 446468049 /nfs/dbraw/zinc/46/80/49/446468049.db2.gz JDEOPQYRIJONFR-DLBZAZTESA-N 2 1 325.497 1.460 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)NC[C@H]2CC[NH2+]C2)CCC1 ZINC000418238529 446469738 /nfs/dbraw/zinc/46/97/38/446469738.db2.gz FZCPNFRXFCZPHP-KRWDZBQOSA-N 2 1 330.476 1.950 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])[C@@H]1c1ccccc1 ZINC000418190955 446453693 /nfs/dbraw/zinc/45/36/93/446453693.db2.gz WVLPWXMRCRQHAL-PVAVHDDUSA-N 2 1 334.464 1.437 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])[C@@H]1c1ccccc1 ZINC000418190955 446453696 /nfs/dbraw/zinc/45/36/96/446453696.db2.gz WVLPWXMRCRQHAL-PVAVHDDUSA-N 2 1 334.464 1.437 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000420317191 446483505 /nfs/dbraw/zinc/48/35/05/446483505.db2.gz MPGFPCCJEQPVHL-ZWKOTPCHSA-N 2 1 333.476 1.534 20 0 EDADMP C[C@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+]1CCCCCC1 ZINC000432547327 446484505 /nfs/dbraw/zinc/48/45/05/446484505.db2.gz SXEKYHYHUBOVCJ-IAGOWNOFSA-N 2 1 325.497 1.868 20 0 EDADMP C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000374967150 446488155 /nfs/dbraw/zinc/48/81/55/446488155.db2.gz YZAFQVVNRZKDCQ-ZOBUZTSGSA-N 2 1 345.491 1.768 20 0 EDADMP C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000374967150 446488159 /nfs/dbraw/zinc/48/81/59/446488159.db2.gz YZAFQVVNRZKDCQ-ZOBUZTSGSA-N 2 1 345.491 1.768 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CCCO1 ZINC000376428620 446492140 /nfs/dbraw/zinc/49/21/40/446492140.db2.gz PKIHCSMDJHAABQ-IAGOWNOFSA-N 2 1 336.480 1.143 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423372383 446504771 /nfs/dbraw/zinc/50/47/71/446504771.db2.gz GDUCIJJPVGASAN-KBPBESRZSA-N 2 1 331.464 1.623 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418356698 446512257 /nfs/dbraw/zinc/51/22/57/446512257.db2.gz YHQALCDFGXUBKO-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420329065 446496956 /nfs/dbraw/zinc/49/69/56/446496956.db2.gz GAHWJDSYTMSOPQ-IYBDPMFKSA-N 2 1 344.459 1.306 20 0 EDADMP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343750 446515892 /nfs/dbraw/zinc/51/58/92/446515892.db2.gz RNGKVTDKOSIXKD-FJIDUMEYSA-N 2 1 337.508 1.629 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H](C)C[NH3+])CC2)cn1 ZINC000418480878 446559551 /nfs/dbraw/zinc/55/95/51/446559551.db2.gz CWBMBQSXMHPHJY-HNNXBMFYSA-N 2 1 336.484 1.105 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H](C)C[NH3+])CC2)cn1 ZINC000418480878 446559562 /nfs/dbraw/zinc/55/95/62/446559562.db2.gz CWBMBQSXMHPHJY-HNNXBMFYSA-N 2 1 336.484 1.105 20 0 EDADMP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCCc1ccc(F)cc1 ZINC000420386344 446560395 /nfs/dbraw/zinc/56/03/95/446560395.db2.gz FOWRPWXEDCIJAK-WMZOPIPTSA-N 2 1 333.451 1.948 20 0 EDADMP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCCc1ccc(F)cc1 ZINC000420386344 446560401 /nfs/dbraw/zinc/56/04/01/446560401.db2.gz FOWRPWXEDCIJAK-WMZOPIPTSA-N 2 1 333.451 1.948 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418493722 446565107 /nfs/dbraw/zinc/56/51/07/446565107.db2.gz WWRXQEOPTKTCSS-SFHVURJKSA-N 2 1 330.476 1.902 20 0 EDADMP COc1cc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000420344664 446517595 /nfs/dbraw/zinc/51/75/95/446517595.db2.gz UOMOLHJPIFYQKI-LSDHHAIUSA-N 2 1 347.459 1.964 20 0 EDADMP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348265 446522855 /nfs/dbraw/zinc/52/28/55/446522855.db2.gz KKVBUYVPNNBQTP-HKUYNNGSSA-N 2 1 344.503 1.022 20 0 EDADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348149 446522884 /nfs/dbraw/zinc/52/28/84/446522884.db2.gz JUVZBJVFIRUIIP-XJKSGUPXSA-N 2 1 336.867 1.647 20 0 EDADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348149 446522890 /nfs/dbraw/zinc/52/28/90/446522890.db2.gz JUVZBJVFIRUIIP-XJKSGUPXSA-N 2 1 336.867 1.647 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000423415044 446523819 /nfs/dbraw/zinc/52/38/19/446523819.db2.gz DETWLDOZMOOFPL-UHFFFAOYSA-N 2 1 326.444 2.384 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccc(OC)cc3CC2)CC1 ZINC000411407332 446525284 /nfs/dbraw/zinc/52/52/84/446525284.db2.gz IQYCJEMGQPGYFR-UHFFFAOYSA-N 2 1 345.487 1.696 20 0 EDADMP CCc1ccc(-c2noc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420349122 446525831 /nfs/dbraw/zinc/52/58/31/446525831.db2.gz NVBJCSRLFUBQDN-QGZVFWFLSA-N 2 1 341.459 1.779 20 0 EDADMP CCc1ccc(-c2noc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420349122 446525841 /nfs/dbraw/zinc/52/58/41/446525841.db2.gz NVBJCSRLFUBQDN-QGZVFWFLSA-N 2 1 341.459 1.779 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418397204 446527580 /nfs/dbraw/zinc/52/75/80/446527580.db2.gz DEADXWWFTCOXDU-FGTMMUONSA-N 2 1 330.476 1.743 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000375046420 446541042 /nfs/dbraw/zinc/54/10/42/446541042.db2.gz JZPMBIDNCRPXQW-OKZBNKHCSA-N 2 1 347.507 1.398 20 0 EDADMP OC[C@@H]1CCC[N@@H+]1CCCCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453108477 446545303 /nfs/dbraw/zinc/54/53/03/446545303.db2.gz KZDLRZBOLBYJEX-FUHWJXTLSA-N 2 1 347.438 1.860 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453108477 446545305 /nfs/dbraw/zinc/54/53/05/446545305.db2.gz KZDLRZBOLBYJEX-FUHWJXTLSA-N 2 1 347.438 1.860 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 ZINC000420370582 446548541 /nfs/dbraw/zinc/54/85/41/446548541.db2.gz JPZKRHYOJMLUPI-NUJGCVRESA-N 2 1 331.460 1.728 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC000418463098 446553226 /nfs/dbraw/zinc/55/32/26/446553226.db2.gz KXBXFGRSPIKVOF-HZPDHXFCSA-N 2 1 328.501 1.646 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000418464348 446553762 /nfs/dbraw/zinc/55/37/62/446553762.db2.gz MCPPUHRJBSYONE-CABCVRRESA-N 2 1 326.485 1.399 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]1 ZINC000418607317 446613041 /nfs/dbraw/zinc/61/30/41/446613041.db2.gz QSHXJJKNKNLLAL-FUHWJXTLSA-N 2 1 330.476 1.697 20 0 EDADMP CC(C)N(C)C(=O)CN(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000411587056 446617915 /nfs/dbraw/zinc/61/79/15/446617915.db2.gz WOTDXNIOUIBOTQ-MAUKXSAKSA-N 2 1 335.496 1.602 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000423634113 446617986 /nfs/dbraw/zinc/61/79/86/446617986.db2.gz MKZHXYQZBIRMFM-RBUKOAKNSA-N 2 1 344.503 1.403 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](CCCc3ccsc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420397245 446571576 /nfs/dbraw/zinc/57/15/76/446571576.db2.gz FKGOKZYQGUOWLA-IAGOWNOFSA-N 2 1 348.516 1.901 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000418506553 446572152 /nfs/dbraw/zinc/57/21/52/446572152.db2.gz IRFSVDCDUNGMOG-UHFFFAOYSA-N 2 1 334.464 1.140 20 0 EDADMP C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420401491 446575244 /nfs/dbraw/zinc/57/52/44/446575244.db2.gz GOHPNYJPFQWSDJ-CYBMUJFWSA-N 2 1 335.473 1.299 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC000433464045 446576649 /nfs/dbraw/zinc/57/66/49/446576649.db2.gz UZTIHGWWWCGYBZ-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433464045 446576656 /nfs/dbraw/zinc/57/66/56/446576656.db2.gz UZTIHGWWWCGYBZ-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433464045 446576661 /nfs/dbraw/zinc/57/66/61/446576661.db2.gz UZTIHGWWWCGYBZ-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000420403867 446576682 /nfs/dbraw/zinc/57/66/82/446576682.db2.gz LIOYQBRDNHTVIN-YESZJQIVSA-N 2 1 333.476 1.795 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000420403867 446576687 /nfs/dbraw/zinc/57/66/87/446576687.db2.gz LIOYQBRDNHTVIN-YESZJQIVSA-N 2 1 333.476 1.795 20 0 EDADMP C[C@H]1CCN(C(=O)NC[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418529367 446581318 /nfs/dbraw/zinc/58/13/18/446581318.db2.gz TXLSHLNHTNROOI-WMZOPIPTSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418536773 446584934 /nfs/dbraw/zinc/58/49/34/446584934.db2.gz CFXJXPOJBKQPHA-OAGGEKHMSA-N 2 1 340.512 1.645 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC[C@@H]21 ZINC000418549007 446589907 /nfs/dbraw/zinc/58/99/07/446589907.db2.gz DGBULQKMFMQHHH-AEFFLSMTSA-N 2 1 328.460 1.916 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000371041166 446592333 /nfs/dbraw/zinc/59/23/33/446592333.db2.gz DIGKEVZYIYKCQW-QGZVFWFLSA-N 2 1 340.512 1.328 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418600119 446609384 /nfs/dbraw/zinc/60/93/84/446609384.db2.gz KIWDBTUFPDSIIZ-NJAFHUGGSA-N 2 1 348.491 1.167 20 0 EDADMP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000368113867 446649334 /nfs/dbraw/zinc/64/93/34/446649334.db2.gz UOLTXCRSOIXOIA-UKRRQHHQSA-N 2 1 328.420 1.503 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000423719030 446658369 /nfs/dbraw/zinc/65/83/69/446658369.db2.gz DVMFECBHPJVFDS-IBGZPJMESA-N 2 1 331.460 1.098 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000418754915 446673991 /nfs/dbraw/zinc/67/39/91/446673991.db2.gz IBUYOJPLYMJXPJ-UONOGXRCSA-N 2 1 330.423 1.357 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3cccc[n+]3[O-])CC2)CC1 ZINC000371092259 446623381 /nfs/dbraw/zinc/62/33/81/446623381.db2.gz ZWAXHAZXJFDOMQ-UHFFFAOYSA-N 2 1 346.475 1.246 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000418649434 446631877 /nfs/dbraw/zinc/63/18/77/446631877.db2.gz JCXJBOCCKMGAMY-ZTFGCOKTSA-N 2 1 348.491 1.345 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000434269992 446633538 /nfs/dbraw/zinc/63/35/38/446633538.db2.gz JDOICGBHNNZTJV-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000434269992 446633541 /nfs/dbraw/zinc/63/35/41/446633541.db2.gz JDOICGBHNNZTJV-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)cn1 ZINC000423762551 446691141 /nfs/dbraw/zinc/69/11/41/446691141.db2.gz SRCUFLVWXLUSKL-QZTJIDSGSA-N 2 1 347.507 1.702 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)cn1 ZINC000423762551 446691144 /nfs/dbraw/zinc/69/11/44/446691144.db2.gz SRCUFLVWXLUSKL-QZTJIDSGSA-N 2 1 347.507 1.702 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)c1 ZINC000418784510 446701232 /nfs/dbraw/zinc/70/12/32/446701232.db2.gz GXXAYQYMZSOFST-SJLPKXTDSA-N 2 1 330.476 1.950 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)c1ccccc1CC1CC[NH2+]CC1 ZINC000423827157 446716623 /nfs/dbraw/zinc/71/66/23/446716623.db2.gz NHDZSAPSFVFEKA-UHFFFAOYSA-N 2 1 345.487 1.681 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000423836530 446724483 /nfs/dbraw/zinc/72/44/83/446724483.db2.gz WPGQCVKPIRPENZ-VYDXJSESSA-N 2 1 337.851 1.580 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000423836530 446724488 /nfs/dbraw/zinc/72/44/88/446724488.db2.gz WPGQCVKPIRPENZ-VYDXJSESSA-N 2 1 337.851 1.580 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CC[NH+](CCOC(C)C)CC1)C2 ZINC000368161591 446678147 /nfs/dbraw/zinc/67/81/47/446678147.db2.gz GJLZEWCGGIBNSM-INIZCTEOSA-N 2 1 348.491 1.760 20 0 EDADMP C[C@H]1C[C@@H](CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[N@H+]1Cc1ccccc1 ZINC000423894194 446748903 /nfs/dbraw/zinc/74/89/03/446748903.db2.gz DRMLTUIBQHWARM-AITUJVMLSA-N 2 1 345.487 1.910 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423897095 446750518 /nfs/dbraw/zinc/75/05/18/446750518.db2.gz HCRWUCBHMLPEOK-JQHSSLGASA-N 2 1 333.476 1.767 20 0 EDADMP C[C@H]1C[N@H+](CCC(=O)OC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371303010 446758233 /nfs/dbraw/zinc/75/82/33/446758233.db2.gz MGJNCCVXXAUVIM-JKSUJKDBSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@H]1C[N@@H+](CCC(=O)OC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371303010 446758238 /nfs/dbraw/zinc/75/82/38/446758238.db2.gz MGJNCCVXXAUVIM-JKSUJKDBSA-N 2 1 325.497 1.676 20 0 EDADMP OC[C@@H]1CCCC[NH+](CC2(C[N@@H+]3CCCC[C@H](CO)C3)COC2)C1 ZINC000376876124 446771384 /nfs/dbraw/zinc/77/13/84/446771384.db2.gz LXMSEJDHKPAUES-HDICACEKSA-N 2 1 340.508 1.192 20 0 EDADMP OC[C@@H]1CCCC[N@@H+](CC2(C[NH+]3CCCC[C@H](CO)C3)COC2)C1 ZINC000376876124 446771392 /nfs/dbraw/zinc/77/13/92/446771392.db2.gz LXMSEJDHKPAUES-HDICACEKSA-N 2 1 340.508 1.192 20 0 EDADMP OC[C@@H]1CCCC[N@H+](CC2(C[NH+]3CCCC[C@H](CO)C3)COC2)C1 ZINC000376876124 446771396 /nfs/dbraw/zinc/77/13/96/446771396.db2.gz LXMSEJDHKPAUES-HDICACEKSA-N 2 1 340.508 1.192 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423927301 446778243 /nfs/dbraw/zinc/77/82/43/446778243.db2.gz FTGLXFOHRSVPJC-MUQADHOPSA-N 2 1 347.507 1.779 20 0 EDADMP CCOC(=O)CCCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371342052 446790895 /nfs/dbraw/zinc/79/08/95/446790895.db2.gz UKRUMWGAMVPTAD-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000420835562 446850875 /nfs/dbraw/zinc/85/08/75/446850875.db2.gz GMTNXLPMCSAEGO-MRXNPFEDSA-N 2 1 349.479 1.258 20 0 EDADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CN2CCCC2=O)[C@H]1c1ccccc1 ZINC000375486739 446839413 /nfs/dbraw/zinc/83/94/13/446839413.db2.gz YNTORQMDQBWUBE-WSTZPKSXSA-N 2 1 345.487 1.642 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000368421019 446852414 /nfs/dbraw/zinc/85/24/14/446852414.db2.gz BCKUWMHFVGGHBS-VQIMIIECSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000368421019 446852418 /nfs/dbraw/zinc/85/24/18/446852418.db2.gz BCKUWMHFVGGHBS-VQIMIIECSA-N 2 1 345.487 1.782 20 0 EDADMP C[N@@H+](CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)Cc1ccccc1 ZINC000368420457 446852551 /nfs/dbraw/zinc/85/25/51/446852551.db2.gz UWMYFTAHIZLWND-FUHIMQAGSA-N 2 1 345.487 1.767 20 0 EDADMP C[C@@H](CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)[NH+](C)C ZINC000454395052 446865279 /nfs/dbraw/zinc/86/52/79/446865279.db2.gz SFSRPSSIIMYDPD-HOTGVXAUSA-N 2 1 348.491 1.657 20 0 EDADMP C[C@@H](CNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)[NH+](C)C ZINC000454395052 446865285 /nfs/dbraw/zinc/86/52/85/446865285.db2.gz SFSRPSSIIMYDPD-HOTGVXAUSA-N 2 1 348.491 1.657 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)NCC[NH+]3CCc4ccccc4C3)C[C@@H]21 ZINC000371507763 446901552 /nfs/dbraw/zinc/90/15/52/446901552.db2.gz DBIBBRFLKXQQST-HKUYNNGSSA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+]1CC[C@H]2CCN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@@H]21 ZINC000371507763 446901559 /nfs/dbraw/zinc/90/15/59/446901559.db2.gz DBIBBRFLKXQQST-HKUYNNGSSA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+]1CC[C@H]2CCN(C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@@H]21 ZINC000371507763 446901566 /nfs/dbraw/zinc/90/15/66/446901566.db2.gz DBIBBRFLKXQQST-HKUYNNGSSA-N 2 1 342.487 1.780 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc1 ZINC000419045288 446881740 /nfs/dbraw/zinc/88/17/40/446881740.db2.gz VWKYNRTWEXYAIH-STQMWFEESA-N 2 1 343.431 1.164 20 0 EDADMP COC(=O)C[C@]1([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCOC1 ZINC000420922970 446893150 /nfs/dbraw/zinc/89/31/50/446893150.db2.gz PBJDENUONOTTBO-LJQANCHMSA-N 2 1 348.443 1.331 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)CC1 ZINC000368509082 446909422 /nfs/dbraw/zinc/90/94/22/446909422.db2.gz XLFIHCHEBMQLCD-RBUKOAKNSA-N 2 1 338.540 1.198 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000419115238 446933925 /nfs/dbraw/zinc/93/39/25/446933925.db2.gz SSYCKMYYBHOXEK-NVXWUHKLSA-N 2 1 348.491 1.113 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@]2([NH+](C)C)CCCSC2)C[C@H](C)O1 ZINC000368572199 446950785 /nfs/dbraw/zinc/95/07/85/446950785.db2.gz JUPTVGCBZXIFIA-HLLBOEOZSA-N 2 1 343.537 1.429 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000442766366 446957081 /nfs/dbraw/zinc/95/70/81/446957081.db2.gz KXSDNHKPLQUKIK-OLZOCXBDSA-N 2 1 325.840 1.504 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000442766366 446957088 /nfs/dbraw/zinc/95/70/88/446957088.db2.gz KXSDNHKPLQUKIK-OLZOCXBDSA-N 2 1 325.840 1.504 20 0 EDADMP COCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000375663875 446959349 /nfs/dbraw/zinc/95/93/49/446959349.db2.gz LDJUZHUYZJXLDW-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000443060192 447002718 /nfs/dbraw/zinc/00/27/18/447002718.db2.gz OLYXXQOPXPJNBO-CQSZACIVSA-N 2 1 344.459 1.578 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)c1cc(N2CC[C@H]([C@H](C)O)C2)ncn1 ZINC000413210866 447070008 /nfs/dbraw/zinc/07/00/08/447070008.db2.gz WMWBDJHZWQTFKL-HOCLYGCPSA-N 2 1 344.463 1.715 20 0 EDADMP CN(C)c1ncc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)n1C ZINC000425320217 447113615 /nfs/dbraw/zinc/11/36/15/447113615.db2.gz CGJWMRVEEOXUSQ-KRWDZBQOSA-N 2 1 332.448 1.496 20 0 EDADMP CN(C)c1ncc(CN(C)C[C@H](O)COCc2ccccc2)n1C ZINC000425320217 447113619 /nfs/dbraw/zinc/11/36/19/447113619.db2.gz CGJWMRVEEOXUSQ-KRWDZBQOSA-N 2 1 332.448 1.496 20 0 EDADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1N(C)CCC[N@@H+](C)CCN(C)C ZINC000377443093 447135843 /nfs/dbraw/zinc/13/58/43/447135843.db2.gz QLQRDOHWRSUFPK-ROUUACIJSA-N 2 1 325.545 1.275 20 0 EDADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1N(C)CCCN(C)CC[NH+](C)C ZINC000377443093 447135850 /nfs/dbraw/zinc/13/58/50/447135850.db2.gz QLQRDOHWRSUFPK-ROUUACIJSA-N 2 1 325.545 1.275 20 0 EDADMP C[NH2+][C@@H](C(=O)NC1CC[NH+](Cc2cccs2)CC1)c1cnn(C)c1 ZINC000375921432 447149846 /nfs/dbraw/zinc/14/98/46/447149846.db2.gz JHZBAQNDELDQHN-MRXNPFEDSA-N 2 1 347.488 1.523 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000375889931 447126022 /nfs/dbraw/zinc/12/60/22/447126022.db2.gz LUMFEBIDGKAYOH-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP CCCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375901379 447132307 /nfs/dbraw/zinc/13/23/07/447132307.db2.gz BORNTJCMRPYSQL-MSOLQXFVSA-N 2 1 338.540 1.782 20 0 EDADMP CCCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375901379 447132315 /nfs/dbraw/zinc/13/23/15/447132315.db2.gz BORNTJCMRPYSQL-MSOLQXFVSA-N 2 1 338.540 1.782 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000377566532 447209183 /nfs/dbraw/zinc/20/91/83/447209183.db2.gz VFNVUUJYJWBSTC-BURFUSLBSA-N 2 1 330.476 1.796 20 0 EDADMP O[C@@H](CC1CCCC1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000368989012 447249949 /nfs/dbraw/zinc/24/99/49/447249949.db2.gz FJHQCXOSYHSTDN-KRWDZBQOSA-N 2 1 326.481 1.087 20 0 EDADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[N@@H+](C)CCCS(N)(=O)=O ZINC000372686317 447222892 /nfs/dbraw/zinc/22/28/92/447222892.db2.gz WUSTYKNBQRAAAM-NVXWUHKLSA-N 2 1 339.505 1.507 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCCS(N)(=O)=O ZINC000372686317 447222910 /nfs/dbraw/zinc/22/29/10/447222910.db2.gz WUSTYKNBQRAAAM-NVXWUHKLSA-N 2 1 339.505 1.507 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCCS(N)(=O)=O ZINC000372686317 447222917 /nfs/dbraw/zinc/22/29/17/447222917.db2.gz WUSTYKNBQRAAAM-NVXWUHKLSA-N 2 1 339.505 1.507 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000425550840 447225826 /nfs/dbraw/zinc/22/58/26/447225826.db2.gz IVNIESUZAWVNIK-AEFFLSMTSA-N 2 1 349.519 1.820 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000425550840 447225833 /nfs/dbraw/zinc/22/58/33/447225833.db2.gz IVNIESUZAWVNIK-AEFFLSMTSA-N 2 1 349.519 1.820 20 0 EDADMP CC(C)[C@H](COCc1ccccc1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000446834404 447258787 /nfs/dbraw/zinc/25/87/87/447258787.db2.gz WRUSWJLWVPCNOC-IBGZPJMESA-N 2 1 347.503 1.982 20 0 EDADMP CC1(OCC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C[NH2+]C1 ZINC000379654942 447453770 /nfs/dbraw/zinc/45/37/70/447453770.db2.gz KHUOTBKQZXAIAW-QGZVFWFLSA-N 2 1 331.460 1.536 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccn(CC(F)(F)F)n2)CC1 ZINC000450365423 447468174 /nfs/dbraw/zinc/46/81/74/447468174.db2.gz OIPCQUSCRZWXOT-CYBMUJFWSA-N 2 1 348.413 1.970 20 0 EDADMP COC[C@]1(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000388488631 447478504 /nfs/dbraw/zinc/47/85/04/447478504.db2.gz LUHDKSUETPILQT-QUCCMNQESA-N 2 1 345.487 1.736 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000458814835 447481542 /nfs/dbraw/zinc/48/15/42/447481542.db2.gz NNCFRKMWRHDTQY-JKSUJKDBSA-N 2 1 328.501 1.253 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458814835 447481544 /nfs/dbraw/zinc/48/15/44/447481544.db2.gz NNCFRKMWRHDTQY-JKSUJKDBSA-N 2 1 328.501 1.253 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000458814835 447481549 /nfs/dbraw/zinc/48/15/49/447481549.db2.gz NNCFRKMWRHDTQY-JKSUJKDBSA-N 2 1 328.501 1.253 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000495322586 447487636 /nfs/dbraw/zinc/48/76/36/447487636.db2.gz SGAKURWVSAWWNL-ZQIUZPCESA-N 2 1 327.469 1.336 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000495322586 447487638 /nfs/dbraw/zinc/48/76/38/447487638.db2.gz SGAKURWVSAWWNL-ZQIUZPCESA-N 2 1 327.469 1.336 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390656279 447496443 /nfs/dbraw/zinc/49/64/43/447496443.db2.gz WMFCUKWGFMRDLC-OAGGEKHMSA-N 2 1 341.496 1.942 20 0 EDADMP C[C@H](O)CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000450466001 447498758 /nfs/dbraw/zinc/49/87/58/447498758.db2.gz FIXREZASPUIZPU-KRWDZBQOSA-N 2 1 347.503 1.718 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@H]3C[NH2+]C)c2C1 ZINC000415485976 447473720 /nfs/dbraw/zinc/47/37/20/447473720.db2.gz DVIUYQYXHKUREW-HNNXBMFYSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@H]3C[NH2+]C)c2C1 ZINC000415485976 447473728 /nfs/dbraw/zinc/47/37/28/447473728.db2.gz DVIUYQYXHKUREW-HNNXBMFYSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458767959 447474681 /nfs/dbraw/zinc/47/46/81/447474681.db2.gz IWPYAXPTCFRDAI-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458767959 447474687 /nfs/dbraw/zinc/47/46/87/447474687.db2.gz IWPYAXPTCFRDAI-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458767959 447474695 /nfs/dbraw/zinc/47/46/95/447474695.db2.gz IWPYAXPTCFRDAI-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416203730 447535731 /nfs/dbraw/zinc/53/57/31/447535731.db2.gz YRSCKRCMNYFROR-HKUYNNGSSA-N 2 1 327.472 1.987 20 0 EDADMP C[NH+]1CC[C@H]2CCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416203730 447535737 /nfs/dbraw/zinc/53/57/37/447535737.db2.gz YRSCKRCMNYFROR-HKUYNNGSSA-N 2 1 327.472 1.987 20 0 EDADMP C[NH+]1CC[C@H]2CCN(C(=O)CC[N@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416203730 447535747 /nfs/dbraw/zinc/53/57/47/447535747.db2.gz YRSCKRCMNYFROR-HKUYNNGSSA-N 2 1 327.472 1.987 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000396430397 447542820 /nfs/dbraw/zinc/54/28/20/447542820.db2.gz UWQIOWWBDZYJLG-NVXWUHKLSA-N 2 1 333.501 1.814 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000396430397 447542826 /nfs/dbraw/zinc/54/28/26/447542826.db2.gz UWQIOWWBDZYJLG-NVXWUHKLSA-N 2 1 333.501 1.814 20 0 EDADMP CS(=O)(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000400156723 447568089 /nfs/dbraw/zinc/56/80/89/447568089.db2.gz FYURNOMRJTWOQX-KRWDZBQOSA-N 2 1 337.489 1.275 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000416851822 447697018 /nfs/dbraw/zinc/69/70/18/447697018.db2.gz RPFPWLKEQYOOSE-GDBMZVCRSA-N 2 1 334.464 1.739 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)CC[NH3+])[C@H](C)C1 ZINC000422590616 447659811 /nfs/dbraw/zinc/65/98/11/447659811.db2.gz ASVRTEXOYSKXCD-HUUCEWRRSA-N 2 1 328.501 1.550 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)n1 ZINC000420234991 447682217 /nfs/dbraw/zinc/68/22/17/447682217.db2.gz IBEPLQFQERATQB-INMHGKMJSA-N 2 1 333.480 1.490 20 0 EDADMP CC(C)C[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000416934398 447714210 /nfs/dbraw/zinc/71/42/10/447714210.db2.gz DLZIUTCMNVTBOZ-MSOLQXFVSA-N 2 1 348.491 1.733 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000416938084 447716029 /nfs/dbraw/zinc/71/60/29/447716029.db2.gz KKMMWMWXPWRMRM-HOTGVXAUSA-N 2 1 328.501 1.550 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000416939114 447716391 /nfs/dbraw/zinc/71/63/91/447716391.db2.gz GWVUKORTZUFXLH-IJEWVQPXSA-N 2 1 326.485 1.302 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000416942355 447718529 /nfs/dbraw/zinc/71/85/29/447718529.db2.gz KVLNWIAGDVJOBZ-QXSJWSMHSA-N 2 1 326.485 1.173 20 0 EDADMP CC[N@@H+](CCNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1)C1CC1 ZINC000458197325 447742478 /nfs/dbraw/zinc/74/24/78/447742478.db2.gz NVXDAYXLQSEOJN-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000458197325 447742483 /nfs/dbraw/zinc/74/24/83/447742483.db2.gz NVXDAYXLQSEOJN-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[N@@H+](CC)C2CC2)CC1 ZINC000458197325 447742487 /nfs/dbraw/zinc/74/24/87/447742487.db2.gz NVXDAYXLQSEOJN-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000488567417 447848776 /nfs/dbraw/zinc/84/87/76/447848776.db2.gz WKXDDWVFCDJNFO-HBUWYVDXSA-N 2 1 339.480 1.106 20 0 EDADMP CN(C[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000496704578 447852401 /nfs/dbraw/zinc/85/24/01/447852401.db2.gz YTXQLEVNFRSMPK-JKSUJKDBSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000496704578 447852402 /nfs/dbraw/zinc/85/24/02/447852402.db2.gz YTXQLEVNFRSMPK-JKSUJKDBSA-N 2 1 341.496 1.632 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000484903092 447825750 /nfs/dbraw/zinc/82/57/50/447825750.db2.gz CMYCELCGMXMIEU-VVLHAWIVSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000484903092 447825751 /nfs/dbraw/zinc/82/57/51/447825751.db2.gz CMYCELCGMXMIEU-VVLHAWIVSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[N@H+]1C ZINC000569741173 447881132 /nfs/dbraw/zinc/88/11/32/447881132.db2.gz ZLEUIUKLCWSQGU-VNQPRFMTSA-N 2 1 325.522 1.803 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CC[NH+](C)C1 ZINC000523649098 447895651 /nfs/dbraw/zinc/89/56/51/447895651.db2.gz OPSCXDGAOBAKRS-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[NH+]1CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000523649098 447895654 /nfs/dbraw/zinc/89/56/54/447895654.db2.gz OPSCXDGAOBAKRS-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[NH+]1CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000523649098 447895658 /nfs/dbraw/zinc/89/56/58/447895658.db2.gz OPSCXDGAOBAKRS-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000576038622 447955817 /nfs/dbraw/zinc/95/58/17/447955817.db2.gz FRRBZTAVGVCKLJ-GOSISDBHSA-N 2 1 333.480 1.138 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)[NH+]1CC(C)C1 ZINC000552844477 447960141 /nfs/dbraw/zinc/96/01/41/447960141.db2.gz XXYOREBRHRBYEN-WMZOPIPTSA-N 2 1 331.460 1.344 20 0 EDADMP Cc1nc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c[nH]1 ZINC000530951615 447990623 /nfs/dbraw/zinc/99/06/23/447990623.db2.gz KBTFAFOJVVBKIA-UHFFFAOYSA-N 2 1 347.507 1.986 20 0 EDADMP C[C@@H]1C[C@H]([N@@H+](C)CCOCCNC(=O)OC(C)(C)C)CCN1C ZINC000497216975 447970401 /nfs/dbraw/zinc/97/04/01/447970401.db2.gz YHIHZENSBCKRBR-HUUCEWRRSA-N 2 1 329.485 1.942 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)CCOCCNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000497216975 447970410 /nfs/dbraw/zinc/97/04/10/447970410.db2.gz YHIHZENSBCKRBR-HUUCEWRRSA-N 2 1 329.485 1.942 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)CCOCCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497216975 447970417 /nfs/dbraw/zinc/97/04/17/447970417.db2.gz YHIHZENSBCKRBR-HUUCEWRRSA-N 2 1 329.485 1.942 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3nc(C)no3)CC2)CC1 ZINC000576408352 448047116 /nfs/dbraw/zinc/04/71/16/448047116.db2.gz CMOBENVQYSEJOT-ZDUSSCGKSA-N 2 1 349.479 1.752 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000531292723 448055224 /nfs/dbraw/zinc/05/52/24/448055224.db2.gz DLIBLRQDPXPCFK-IEBWSBKVSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000531292723 448055230 /nfs/dbraw/zinc/05/52/30/448055230.db2.gz DLIBLRQDPXPCFK-IEBWSBKVSA-N 2 1 331.460 1.081 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000571059478 448102938 /nfs/dbraw/zinc/10/29/38/448102938.db2.gz HJECUPRRCYWZGR-JKSUJKDBSA-N 2 1 339.528 1.171 20 0 EDADMP CCOCC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000571158356 448113086 /nfs/dbraw/zinc/11/30/86/448113086.db2.gz FYYUMEQBKARHGQ-RTBURBONSA-N 2 1 336.476 1.655 20 0 EDADMP CCOCC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000571158356 448113090 /nfs/dbraw/zinc/11/30/90/448113090.db2.gz FYYUMEQBKARHGQ-RTBURBONSA-N 2 1 336.476 1.655 20 0 EDADMP CC1CC[NH+](C[C@@H](O)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000571404748 448148079 /nfs/dbraw/zinc/14/80/79/448148079.db2.gz PRVLEDHVHTURET-HMQMGEFJSA-N 2 1 338.496 1.004 20 0 EDADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CC(F)(F)C[NH3+] ZINC000571412970 448149558 /nfs/dbraw/zinc/14/95/58/448149558.db2.gz OKWKJZKJULSPBE-UHFFFAOYSA-N 2 1 326.391 1.669 20 0 EDADMP C[C@H](Cc1c[nH]cn1)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000577191034 448232062 /nfs/dbraw/zinc/23/20/62/448232062.db2.gz YPJYQVFMINAEAO-CXAGYDPISA-N 2 1 328.416 1.794 20 0 EDADMP C[C@H](Cc1cnc[nH]1)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000577191034 448232066 /nfs/dbraw/zinc/23/20/66/448232066.db2.gz YPJYQVFMINAEAO-CXAGYDPISA-N 2 1 328.416 1.794 20 0 EDADMP C[C@H](Cc1cnc[nH]1)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000577191034 448232069 /nfs/dbraw/zinc/23/20/69/448232069.db2.gz YPJYQVFMINAEAO-CXAGYDPISA-N 2 1 328.416 1.794 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccc(C[NH3+])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000577116925 448213919 /nfs/dbraw/zinc/21/39/19/448213919.db2.gz HAWVAHLGGMBDBR-RVKKMQEKSA-N 2 1 333.476 1.895 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccc(C[NH3+])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000577116925 448213922 /nfs/dbraw/zinc/21/39/22/448213922.db2.gz HAWVAHLGGMBDBR-RVKKMQEKSA-N 2 1 333.476 1.895 20 0 EDADMP C[N@@H+]1CCN(CC[NH2+]CCS(=O)(=O)c2ccccc2)CC1(C)C ZINC000577275783 448254315 /nfs/dbraw/zinc/25/43/15/448254315.db2.gz NHJKBLVSFOIOFE-UHFFFAOYSA-N 2 1 339.505 1.076 20 0 EDADMP NC(=O)N1CCC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000532487289 448264056 /nfs/dbraw/zinc/26/40/56/448264056.db2.gz SRHRWNPKEUWRSI-QGZVFWFLSA-N 2 1 330.476 1.684 20 0 EDADMP NC(=O)N1CCC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000532487288 448264479 /nfs/dbraw/zinc/26/44/79/448264479.db2.gz SRHRWNPKEUWRSI-KRWDZBQOSA-N 2 1 330.476 1.684 20 0 EDADMP COc1ccc2c(c1)OC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C2 ZINC000577469535 448302873 /nfs/dbraw/zinc/30/28/73/448302873.db2.gz NZMZWDOYWNAXQB-IRXDYDNUSA-N 2 1 334.460 1.681 20 0 EDADMP COc1ccc(CN2CC[C@H]2CNC(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000527798656 448364153 /nfs/dbraw/zinc/36/41/53/448364153.db2.gz RCBYXFPLVMVIDF-IRXDYDNUSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NC[C@@H]2CCC[NH+]2C)cc1 ZINC000527798656 448364161 /nfs/dbraw/zinc/36/41/61/448364161.db2.gz RCBYXFPLVMVIDF-IRXDYDNUSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000527798656 448364172 /nfs/dbraw/zinc/36/41/72/448364172.db2.gz RCBYXFPLVMVIDF-IRXDYDNUSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000527798656 448364179 /nfs/dbraw/zinc/36/41/79/448364179.db2.gz RCBYXFPLVMVIDF-IRXDYDNUSA-N 2 1 346.475 1.663 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000591456235 448370380 /nfs/dbraw/zinc/37/03/80/448370380.db2.gz GYXMGFAICWUJJR-MSOLQXFVSA-N 2 1 330.476 1.043 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@@H](O)C(C)C)CC2)CC1 ZINC000572255358 448329045 /nfs/dbraw/zinc/32/90/45/448329045.db2.gz JBQYWBGKOLXRKD-GOSISDBHSA-N 2 1 339.524 1.706 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCOC[C@@H]1C ZINC000591573247 448394126 /nfs/dbraw/zinc/39/41/26/448394126.db2.gz ODPLIBFGFAYKLS-PMPSAXMXSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2CC[NH2+][C@@H]2C)c1 ZINC000566162930 448400784 /nfs/dbraw/zinc/40/07/84/448400784.db2.gz NHVWZOAXJGMTMB-QAPCUYQASA-N 2 1 349.475 1.258 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2CC[NH2+][C@H]2C)c1 ZINC000566162931 448400918 /nfs/dbraw/zinc/40/09/18/448400918.db2.gz NHVWZOAXJGMTMB-YJBOKZPZSA-N 2 1 349.475 1.258 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000577963015 448427913 /nfs/dbraw/zinc/42/79/13/448427913.db2.gz MBUGKBNQUXVAMN-GOSISDBHSA-N 2 1 333.476 1.367 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]C4)CC[C@@H]21 ZINC000577995825 448433793 /nfs/dbraw/zinc/43/37/93/448433793.db2.gz AXZQRXNTYCWWBJ-YOEHRIQHSA-N 2 1 342.443 1.171 20 0 EDADMP Cc1c[nH+]cn1Cc1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000528139461 448444061 /nfs/dbraw/zinc/44/40/61/448444061.db2.gz GAICNZGNHCOUBK-UHFFFAOYSA-N 2 1 339.403 1.437 20 0 EDADMP C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000516653807 448457994 /nfs/dbraw/zinc/45/79/94/448457994.db2.gz WPFREIDWHHXPFZ-QFBILLFUSA-N 2 1 344.503 1.438 20 0 EDADMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000578204074 448485087 /nfs/dbraw/zinc/48/50/87/448485087.db2.gz HZPBENDWPFPWMV-IAGOWNOFSA-N 2 1 339.524 1.850 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC1CC[NH2+]CC1 ZINC000584459281 448533475 /nfs/dbraw/zinc/53/34/75/448533475.db2.gz UDGHXEULPIMUPW-CRAIPNDOSA-N 2 1 330.476 1.806 20 0 EDADMP Cc1ccc(O)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000566613098 448518610 /nfs/dbraw/zinc/51/86/10/448518610.db2.gz DMZIJCNAWFVOQJ-SJPCQFCGSA-N 2 1 330.476 1.838 20 0 EDADMP Cc1ccc(O)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000566613098 448518616 /nfs/dbraw/zinc/51/86/16/448518616.db2.gz DMZIJCNAWFVOQJ-SJPCQFCGSA-N 2 1 330.476 1.838 20 0 EDADMP C[C@H](NC(=O)N1CCC([NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566667993 448531326 /nfs/dbraw/zinc/53/13/26/448531326.db2.gz FQGCEMDXMKZKPU-YJBOKZPZSA-N 2 1 346.475 1.409 20 0 EDADMP C[C@H](NC(=O)N1CCC([NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566667993 448531331 /nfs/dbraw/zinc/53/13/31/448531331.db2.gz FQGCEMDXMKZKPU-YJBOKZPZSA-N 2 1 346.475 1.409 20 0 EDADMP CC[C@H](Cn1cncn1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000517265189 448565050 /nfs/dbraw/zinc/56/50/50/448565050.db2.gz QYFRYOXXTIIJTR-HZPDHXFCSA-N 2 1 348.520 1.697 20 0 EDADMP CC(C)[NH2+]CCC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000584467313 448538135 /nfs/dbraw/zinc/53/81/35/448538135.db2.gz GTCIDHWIZBGLLM-UHFFFAOYSA-N 2 1 346.475 1.079 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCN2CCOC[C@@H]2C)C1 ZINC000517140098 448542878 /nfs/dbraw/zinc/54/28/78/448542878.db2.gz CPXHXCYJWFXXDR-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](c2nccn2C)C2CC2)CC[N@H+]1C[C@H](C)O ZINC000566729382 448545537 /nfs/dbraw/zinc/54/55/37/448545537.db2.gz KHRGFKGIROALAV-NUEKZKHPSA-N 2 1 349.479 1.358 20 0 EDADMP Cc1cc(NC(=O)NCC2=CC[N@@H+](C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000537249946 448553916 /nfs/dbraw/zinc/55/39/16/448553916.db2.gz VRPULQPIQSMIAB-UHFFFAOYSA-N 2 1 346.479 1.842 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000518341840 448666116 /nfs/dbraw/zinc/66/61/16/448666116.db2.gz NGCKPFMHTFSQEC-INIZCTEOSA-N 2 1 332.448 1.973 20 0 EDADMP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CC[C@H](O)C2)c1)[C@@H]1CCSC1 ZINC000567427128 448690470 /nfs/dbraw/zinc/69/04/70/448690470.db2.gz RLCVVLFJHRXVNG-SJORKVTESA-N 2 1 349.500 1.629 20 0 EDADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CC[C@H](O)C2)c1)[C@@H]1CCSC1 ZINC000567427128 448690474 /nfs/dbraw/zinc/69/04/74/448690474.db2.gz RLCVVLFJHRXVNG-SJORKVTESA-N 2 1 349.500 1.629 20 0 EDADMP C[NH+](CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@@H]1CCSC1 ZINC000567427128 448690478 /nfs/dbraw/zinc/69/04/78/448690478.db2.gz RLCVVLFJHRXVNG-SJORKVTESA-N 2 1 349.500 1.629 20 0 EDADMP C[NH+](CC(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@@H]1CCSC1 ZINC000567427128 448690481 /nfs/dbraw/zinc/69/04/81/448690481.db2.gz RLCVVLFJHRXVNG-SJORKVTESA-N 2 1 349.500 1.629 20 0 EDADMP CC(C)[NH2+]CCC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000567499121 448704684 /nfs/dbraw/zinc/70/46/84/448704684.db2.gz HVFJCMGEKAAMTR-INIZCTEOSA-N 2 1 333.480 1.096 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)[C@@H]1SC ZINC000592168958 448721261 /nfs/dbraw/zinc/72/12/61/448721261.db2.gz PFXBPIVDWNSAGK-MLHJIOFPSA-N 2 1 338.517 1.978 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)[C@@H]1SC ZINC000592168958 448721264 /nfs/dbraw/zinc/72/12/64/448721264.db2.gz PFXBPIVDWNSAGK-MLHJIOFPSA-N 2 1 338.517 1.978 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2N[C@H]2CCC[NH2+]CC2)C1 ZINC000518491541 448684475 /nfs/dbraw/zinc/68/44/75/448684475.db2.gz NXNIRDNRSYUOBE-SJORKVTESA-N 2 1 330.476 1.938 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567795252 448763915 /nfs/dbraw/zinc/76/39/15/448763915.db2.gz HQMJAIBWILAJNQ-GJZGRUSLSA-N 2 1 334.468 1.024 20 0 EDADMP C[C@H](CNC(=O)NCC1CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000519117912 448743660 /nfs/dbraw/zinc/74/36/60/448743660.db2.gz LIQXLXFFMIWCOH-CYBMUJFWSA-N 2 1 336.505 1.794 20 0 EDADMP C[C@H](CNC(=O)NCC1CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000519117912 448743663 /nfs/dbraw/zinc/74/36/63/448743663.db2.gz LIQXLXFFMIWCOH-CYBMUJFWSA-N 2 1 336.505 1.794 20 0 EDADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000529282993 448806485 /nfs/dbraw/zinc/80/64/85/448806485.db2.gz NYAZKUYSIJSEAV-QZTJIDSGSA-N 2 1 330.476 1.900 20 0 EDADMP CCOC(=O)CC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000579345833 448771536 /nfs/dbraw/zinc/77/15/36/448771536.db2.gz QALYUYBCWCZKBC-UXLLHSPISA-N 2 1 326.481 1.933 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnc3nccnc3c2)CC1 ZINC000545354506 448792926 /nfs/dbraw/zinc/79/29/26/448792926.db2.gz XDBIQHSPFPKVKS-UHFFFAOYSA-N 2 1 349.398 1.424 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000568151576 448823941 /nfs/dbraw/zinc/82/39/41/448823941.db2.gz FSVQVIFEHANNGT-GOSISDBHSA-N 2 1 344.503 1.430 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C[C@H]1c1ccccc1 ZINC000519767974 448839682 /nfs/dbraw/zinc/83/96/82/448839682.db2.gz JYKIOPOXRNBCTR-SOUVJXGZSA-N 2 1 325.416 1.054 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529375575 448848081 /nfs/dbraw/zinc/84/80/81/448848081.db2.gz OLBBRCHCDWVSHG-ROUUACIJSA-N 2 1 346.475 1.138 20 0 EDADMP C[C@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000529375124 448848178 /nfs/dbraw/zinc/84/81/78/448848178.db2.gz NCUSPMKYBSVTCK-FUHWJXTLSA-N 2 1 346.475 1.281 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529374928 448848288 /nfs/dbraw/zinc/84/82/88/448848288.db2.gz PICTVINKJONYGD-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[NH2+]CC3)c2)C1 ZINC000579687242 448851968 /nfs/dbraw/zinc/85/19/68/448851968.db2.gz KDEXQMYTYSHHCR-RBUKOAKNSA-N 2 1 344.503 1.616 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCC[NH2+]CC3)c2)C1 ZINC000579687242 448851971 /nfs/dbraw/zinc/85/19/71/448851971.db2.gz KDEXQMYTYSHHCR-RBUKOAKNSA-N 2 1 344.503 1.616 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCC[NH2+]CC3)c2)C1 ZINC000579687242 448851975 /nfs/dbraw/zinc/85/19/75/448851975.db2.gz KDEXQMYTYSHHCR-RBUKOAKNSA-N 2 1 344.503 1.616 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3)CC[N@H+]2C2CC2)c1 ZINC000568513323 448883927 /nfs/dbraw/zinc/88/39/27/448883927.db2.gz ZKQYQMVGEVXDGR-NONVJHHQSA-N 2 1 329.444 1.827 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCO ZINC000568649313 448902535 /nfs/dbraw/zinc/90/25/35/448902535.db2.gz FAUMNYQGIGFXLZ-AEFFLSMTSA-N 2 1 331.460 1.034 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCO ZINC000568649313 448902542 /nfs/dbraw/zinc/90/25/42/448902542.db2.gz FAUMNYQGIGFXLZ-AEFFLSMTSA-N 2 1 331.460 1.034 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000568649313 448902547 /nfs/dbraw/zinc/90/25/47/448902547.db2.gz FAUMNYQGIGFXLZ-AEFFLSMTSA-N 2 1 331.460 1.034 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000568649313 448902551 /nfs/dbraw/zinc/90/25/51/448902551.db2.gz FAUMNYQGIGFXLZ-AEFFLSMTSA-N 2 1 331.460 1.034 20 0 EDADMP C[N@H+]1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1(C)C ZINC000568652339 448903491 /nfs/dbraw/zinc/90/34/91/448903491.db2.gz PQWFOUOEQOXLTH-OAHLLOKOSA-N 2 1 325.522 1.757 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCc2nc[nH]c2C1)Cc1ccccc1 ZINC000520676753 448920417 /nfs/dbraw/zinc/92/04/17/448920417.db2.gz XNQALYBLQCLIQE-HOTGVXAUSA-N 2 1 341.459 1.739 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[N@H+]1C1CC1 ZINC000568856251 448926920 /nfs/dbraw/zinc/92/69/20/448926920.db2.gz PDVAOSMKFUVGEE-RBSFLKMASA-N 2 1 336.480 1.009 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000568864704 448929988 /nfs/dbraw/zinc/92/99/88/448929988.db2.gz IVJOMYBXYCMKLR-KRWDZBQOSA-N 2 1 333.480 1.566 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000574735768 448943032 /nfs/dbraw/zinc/94/30/32/448943032.db2.gz FAPSVYVZTSMMJA-INIZCTEOSA-N 2 1 340.512 1.253 20 0 EDADMP CSCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000595945318 449272116 /nfs/dbraw/zinc/27/21/16/449272116.db2.gz LHQKAPJMZNLIPP-IAGOWNOFSA-N 2 1 335.517 1.842 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)[C@@H]1CCC[NH3+] ZINC000595904815 449244573 /nfs/dbraw/zinc/24/45/73/449244573.db2.gz LNLJONLUGKYGKS-GDBMZVCRSA-N 2 1 338.496 1.984 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[NH+]4CCC[C@H]4C3)CC2)C1 ZINC000604640299 449267257 /nfs/dbraw/zinc/26/72/57/449267257.db2.gz YATBNVWJMOYRMC-BZSNNMDCSA-N 2 1 349.523 1.035 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)C1 ZINC000604640299 449267262 /nfs/dbraw/zinc/26/72/62/449267262.db2.gz YATBNVWJMOYRMC-BZSNNMDCSA-N 2 1 349.523 1.035 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)C1 ZINC000604640299 449267267 /nfs/dbraw/zinc/26/72/67/449267267.db2.gz YATBNVWJMOYRMC-BZSNNMDCSA-N 2 1 349.523 1.035 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000595945818 449271508 /nfs/dbraw/zinc/27/15/08/449271508.db2.gz OOJICILKVAUYLT-DLBZAZTESA-N 2 1 347.459 1.042 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000593913704 449281312 /nfs/dbraw/zinc/28/13/12/449281312.db2.gz YMDLGMKKNUTJJY-MSOLQXFVSA-N 2 1 346.475 1.131 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000593913704 449281319 /nfs/dbraw/zinc/28/13/19/449281319.db2.gz YMDLGMKKNUTJJY-MSOLQXFVSA-N 2 1 346.475 1.131 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000593913704 449281328 /nfs/dbraw/zinc/28/13/28/449281328.db2.gz YMDLGMKKNUTJJY-MSOLQXFVSA-N 2 1 346.475 1.131 20 0 EDADMP Cc1cccn2cc(C[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)nc12 ZINC000590937804 449351244 /nfs/dbraw/zinc/35/12/44/449351244.db2.gz GVQBBUKQWDTQDM-UHFFFAOYSA-N 2 1 343.475 1.533 20 0 EDADMP COC(=O)COc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000594502843 449558363 /nfs/dbraw/zinc/55/83/63/449558363.db2.gz QRXNYMSIPGPIJN-QGZVFWFLSA-N 2 1 348.443 1.581 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+](C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607405423 449609567 /nfs/dbraw/zinc/60/95/67/449609567.db2.gz YDCHMTUXCFNCHG-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+](C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607405423 449609572 /nfs/dbraw/zinc/60/95/72/449609572.db2.gz YDCHMTUXCFNCHG-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCc2cccnc21 ZINC000617507341 449655374 /nfs/dbraw/zinc/65/53/74/449655374.db2.gz SJBDDZDFSMTHSL-RDJZCZTQSA-N 2 1 332.492 1.890 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCc2cccnc21 ZINC000617507341 449655382 /nfs/dbraw/zinc/65/53/82/449655382.db2.gz SJBDDZDFSMTHSL-RDJZCZTQSA-N 2 1 332.492 1.890 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1Oc2ccccc2O[C@H]1C ZINC000617504165 449645870 /nfs/dbraw/zinc/64/58/70/449645870.db2.gz INNGZKGKSCHIJX-MPGHIAIKSA-N 2 1 349.475 1.603 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1Oc2ccccc2O[C@H]1C ZINC000617504165 449645875 /nfs/dbraw/zinc/64/58/75/449645875.db2.gz INNGZKGKSCHIJX-MPGHIAIKSA-N 2 1 349.475 1.603 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000617698905 449742309 /nfs/dbraw/zinc/74/23/09/449742309.db2.gz AOEFHMRCHNKLJF-MOPGFXCFSA-N 2 1 345.487 1.744 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617698905 449742314 /nfs/dbraw/zinc/74/23/14/449742314.db2.gz AOEFHMRCHNKLJF-MOPGFXCFSA-N 2 1 345.487 1.744 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617698905 449742321 /nfs/dbraw/zinc/74/23/21/449742321.db2.gz AOEFHMRCHNKLJF-MOPGFXCFSA-N 2 1 345.487 1.744 20 0 EDADMP C[C@@H](CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[NH+](C)C ZINC000617752516 449816447 /nfs/dbraw/zinc/81/64/47/449816447.db2.gz ORRTYXUOIAVICY-FUHWJXTLSA-N 2 1 332.492 1.432 20 0 EDADMP COC(=O)CCC[NH+]1CCC(NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000597174850 449855155 /nfs/dbraw/zinc/85/51/55/449855155.db2.gz YQIYVTKBBASINU-INIZCTEOSA-N 2 1 325.497 1.866 20 0 EDADMP COC(=O)CCC[NH+]1CCC(NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000597174850 449855162 /nfs/dbraw/zinc/85/51/62/449855162.db2.gz YQIYVTKBBASINU-INIZCTEOSA-N 2 1 325.497 1.866 20 0 EDADMP CCN(C(=O)c1cccc(N2CC[NH+](C)CC2)n1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617927124 449924627 /nfs/dbraw/zinc/92/46/27/449924627.db2.gz QIVUNIMZJBFWKZ-MRXNPFEDSA-N 2 1 345.491 1.390 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000617974016 449958098 /nfs/dbraw/zinc/95/80/98/449958098.db2.gz YSPJVVAJPRMXGK-UHFFFAOYSA-N 2 1 327.432 1.615 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N[C@H]2CC23CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000612975864 449967131 /nfs/dbraw/zinc/96/71/31/449967131.db2.gz OPLIPJAVIPIGIR-ULQDDVLXSA-N 2 1 328.460 1.873 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)[C@@H](Cc2ccccc2)C1 ZINC000612994534 449976093 /nfs/dbraw/zinc/97/60/93/449976093.db2.gz HDXKKBYMCSREHO-ROUUACIJSA-N 2 1 342.487 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)[C@@H](Cc2ccccc2)C1 ZINC000612994534 449976100 /nfs/dbraw/zinc/97/61/00/449976100.db2.gz HDXKKBYMCSREHO-ROUUACIJSA-N 2 1 342.487 1.697 20 0 EDADMP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613211369 450083227 /nfs/dbraw/zinc/08/32/27/450083227.db2.gz ZTYGIHDEYOCXKB-NTZNESFSSA-N 2 1 331.243 1.884 20 0 EDADMP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613211369 450083234 /nfs/dbraw/zinc/08/32/34/450083234.db2.gz ZTYGIHDEYOCXKB-NTZNESFSSA-N 2 1 331.243 1.884 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619969305 450386643 /nfs/dbraw/zinc/38/66/43/450386643.db2.gz INVLHLFRFSDLED-BZUAXINKSA-N 2 1 337.508 1.913 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619969304 450386934 /nfs/dbraw/zinc/38/69/34/450386934.db2.gz INVLHLFRFSDLED-ARFHVFGLSA-N 2 1 337.508 1.913 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000620482923 450501496 /nfs/dbraw/zinc/50/14/96/450501496.db2.gz VJFGYGSZLOXHQR-SFHVURJKSA-N 2 1 331.460 1.419 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000620967576 450566788 /nfs/dbraw/zinc/56/67/88/450566788.db2.gz SUBXGJQLUDDJMM-ROUUACIJSA-N 2 1 333.476 1.859 20 0 EDADMP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000627275054 450614917 /nfs/dbraw/zinc/61/49/17/450614917.db2.gz BXPZQOMTVKAPES-GBESFXJTSA-N 2 1 345.487 1.183 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000635071833 450623224 /nfs/dbraw/zinc/62/32/24/450623224.db2.gz YAIILKBGQCJFJB-RTBURBONSA-N 2 1 343.471 1.630 20 0 EDADMP C[N@@H+]1CC[C@@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)CC1(C)C ZINC000623973089 450657089 /nfs/dbraw/zinc/65/70/89/450657089.db2.gz HAOGHVCJKGDNJN-QGZVFWFLSA-N 2 1 330.476 1.815 20 0 EDADMP C[N@H+]1CC[C@@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)CC1(C)C ZINC000623973089 450657094 /nfs/dbraw/zinc/65/70/94/450657094.db2.gz HAOGHVCJKGDNJN-QGZVFWFLSA-N 2 1 330.476 1.815 20 0 EDADMP C[NH+]1CC[C@@H](Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1(C)C ZINC000623973089 450657098 /nfs/dbraw/zinc/65/70/98/450657098.db2.gz HAOGHVCJKGDNJN-QGZVFWFLSA-N 2 1 330.476 1.815 20 0 EDADMP C[NH+]1CC[C@@H](Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1(C)C ZINC000623973089 450657103 /nfs/dbraw/zinc/65/71/03/450657103.db2.gz HAOGHVCJKGDNJN-QGZVFWFLSA-N 2 1 330.476 1.815 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631677102 450708682 /nfs/dbraw/zinc/70/86/82/450708682.db2.gz PMESQVUHICZNPG-INIZCTEOSA-N 2 1 331.526 1.656 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000629580288 450748153 /nfs/dbraw/zinc/74/81/53/450748153.db2.gz WCTFKQBACHDSSH-UHFFFAOYSA-N 2 1 348.447 1.049 20 0 EDADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000624231120 450757319 /nfs/dbraw/zinc/75/73/19/450757319.db2.gz PYFJFHYTSAVVFI-YLJYHZDGSA-N 2 1 331.504 1.738 20 0 EDADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC000624231120 450757321 /nfs/dbraw/zinc/75/73/21/450757321.db2.gz PYFJFHYTSAVVFI-YLJYHZDGSA-N 2 1 331.504 1.738 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000629602612 450758226 /nfs/dbraw/zinc/75/82/26/450758226.db2.gz VCSPGTLZFYOYQI-GOSISDBHSA-N 2 1 345.443 1.892 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000629602612 450758231 /nfs/dbraw/zinc/75/82/31/450758231.db2.gz VCSPGTLZFYOYQI-GOSISDBHSA-N 2 1 345.443 1.892 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000631843583 450813282 /nfs/dbraw/zinc/81/32/82/450813282.db2.gz PVWNHSZBJYEXGJ-UKRRQHHQSA-N 2 1 335.448 1.189 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000631843583 450813288 /nfs/dbraw/zinc/81/32/88/450813288.db2.gz PVWNHSZBJYEXGJ-UKRRQHHQSA-N 2 1 335.448 1.189 20 0 EDADMP O[C@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624335803 450798389 /nfs/dbraw/zinc/79/83/89/450798389.db2.gz AJSWOAAFZSAVKX-XSDIEEQYSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@H]1CC[N@H+](CCN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624335803 450798394 /nfs/dbraw/zinc/79/83/94/450798394.db2.gz AJSWOAAFZSAVKX-XSDIEEQYSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@H]1CC[N@@H+](CCN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624335803 450798397 /nfs/dbraw/zinc/79/83/97/450798397.db2.gz AJSWOAAFZSAVKX-XSDIEEQYSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@H]1CC[NH+](CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624335803 450798402 /nfs/dbraw/zinc/79/84/02/450798402.db2.gz AJSWOAAFZSAVKX-XSDIEEQYSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@H]1CC[NH+](CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624335803 450798408 /nfs/dbraw/zinc/79/84/08/450798408.db2.gz AJSWOAAFZSAVKX-XSDIEEQYSA-N 2 1 343.515 1.943 20 0 EDADMP CC(C)[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000624518215 450879480 /nfs/dbraw/zinc/87/94/80/450879480.db2.gz TUPMTYTZKQIQOJ-CQSZACIVSA-N 2 1 327.436 1.044 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1)C1CCC1 ZINC000629977754 450930818 /nfs/dbraw/zinc/93/08/18/450930818.db2.gz COIXKNHLBYNQLO-SFHVURJKSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+](CC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCC1 ZINC000629977754 450930823 /nfs/dbraw/zinc/93/08/23/450930823.db2.gz COIXKNHLBYNQLO-SFHVURJKSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+](CC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCC1 ZINC000629977754 450930829 /nfs/dbraw/zinc/93/08/29/450930829.db2.gz COIXKNHLBYNQLO-SFHVURJKSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCCOCCC[NH3+])c1ccccc1Cl ZINC000626922885 451006301 /nfs/dbraw/zinc/00/63/01/451006301.db2.gz HKXUWKHDOLUESR-HNNXBMFYSA-N 2 1 342.871 1.607 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000626943083 451022386 /nfs/dbraw/zinc/02/23/86/451022386.db2.gz CJAOQNLKJIKXFZ-CQSZACIVSA-N 2 1 338.402 1.590 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635535524 451031043 /nfs/dbraw/zinc/03/10/43/451031043.db2.gz HQVCGIIFHNTVTJ-IYBDPMFKSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH+](C)C1(CNC(=O)C[N@@H+](C)CCc2ccccc2)CCOCC1 ZINC000635565233 451063778 /nfs/dbraw/zinc/06/37/78/451063778.db2.gz MLBZHDQXGUTLHW-UHFFFAOYSA-N 2 1 333.476 1.388 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000632150974 451075586 /nfs/dbraw/zinc/07/55/86/451075586.db2.gz TZMBMGFGAWLROZ-JKSUJKDBSA-N 2 1 325.478 1.303 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627013169 451077517 /nfs/dbraw/zinc/07/75/17/451077517.db2.gz LSLVOQVYRXTXDS-LMSBXDPUSA-N 2 1 330.476 1.947 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)NC[C@@H]2COCC[NH2+]2)CCC1 ZINC000627050086 451101870 /nfs/dbraw/zinc/10/18/70/451101870.db2.gz AQAVQBYWKBCLRE-QGZVFWFLSA-N 2 1 346.475 1.329 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@]2(C[NH3+])CCCOC2)cc1)[NH+]1CCOCC1 ZINC000638100082 451265201 /nfs/dbraw/zinc/26/52/01/451265201.db2.gz JVVOHDNJQLLFPD-BEFAXECRSA-N 2 1 347.459 1.774 20 0 EDADMP CCC(CC)[C@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+]1CCCC1 ZINC000636524755 451266373 /nfs/dbraw/zinc/26/63/73/451266373.db2.gz UPRQRSRWOMWVCC-IRXDYDNUSA-N 2 1 340.512 1.253 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+]1CCCC1 ZINC000636524753 451267214 /nfs/dbraw/zinc/26/72/14/451267214.db2.gz UPRQRSRWOMWVCC-DLBZAZTESA-N 2 1 340.512 1.253 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc(C[NH3+])nc1 ZINC000638110866 451278766 /nfs/dbraw/zinc/27/87/66/451278766.db2.gz KCQOUUMPOVGRFG-MRXNPFEDSA-N 2 1 339.443 1.529 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000635830129 451279928 /nfs/dbraw/zinc/27/99/28/451279928.db2.gz YRGWSAULJPVPKY-MSOLQXFVSA-N 2 1 330.476 1.846 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000635830129 451279930 /nfs/dbraw/zinc/27/99/30/451279930.db2.gz YRGWSAULJPVPKY-MSOLQXFVSA-N 2 1 330.476 1.846 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000635830129 451279934 /nfs/dbraw/zinc/27/99/34/451279934.db2.gz YRGWSAULJPVPKY-MSOLQXFVSA-N 2 1 330.476 1.846 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000638126923 451296608 /nfs/dbraw/zinc/29/66/08/451296608.db2.gz RSQHEHOKOZZOPB-HOTGVXAUSA-N 2 1 325.497 1.900 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638131530 451303823 /nfs/dbraw/zinc/30/38/23/451303823.db2.gz RHRQRWQKHPOONT-APWZRJJASA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638131935 451304214 /nfs/dbraw/zinc/30/42/14/451304214.db2.gz SMOGYPKHUKDMPJ-MSOLQXFVSA-N 2 1 332.492 1.246 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638131935 451304217 /nfs/dbraw/zinc/30/42/17/451304217.db2.gz SMOGYPKHUKDMPJ-MSOLQXFVSA-N 2 1 332.492 1.246 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638131935 451304221 /nfs/dbraw/zinc/30/42/21/451304221.db2.gz SMOGYPKHUKDMPJ-MSOLQXFVSA-N 2 1 332.492 1.246 20 0 EDADMP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638131935 451304226 /nfs/dbraw/zinc/30/42/26/451304226.db2.gz SMOGYPKHUKDMPJ-MSOLQXFVSA-N 2 1 332.492 1.246 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638131935 451304231 /nfs/dbraw/zinc/30/42/31/451304231.db2.gz SMOGYPKHUKDMPJ-MSOLQXFVSA-N 2 1 332.492 1.246 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000638141810 451316636 /nfs/dbraw/zinc/31/66/36/451316636.db2.gz IGHHKNHQPDQAJO-RTBURBONSA-N 2 1 344.503 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000638141810 451316642 /nfs/dbraw/zinc/31/66/42/451316642.db2.gz IGHHKNHQPDQAJO-RTBURBONSA-N 2 1 344.503 1.436 20 0 EDADMP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000635894402 451337545 /nfs/dbraw/zinc/33/75/45/451337545.db2.gz GIWAZEPTCDUCME-WMZOPIPTSA-N 2 1 335.492 1.717 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000640511702 451361490 /nfs/dbraw/zinc/36/14/90/451361490.db2.gz HXSLTXNOUAJFHW-ZACQAIPSSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000640511702 451361497 /nfs/dbraw/zinc/36/14/97/451361497.db2.gz HXSLTXNOUAJFHW-ZACQAIPSSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636629661 451367497 /nfs/dbraw/zinc/36/74/97/451367497.db2.gz UVHNHSAHGAYBJN-KBAYOESNSA-N 2 1 346.475 1.188 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000636629661 451367500 /nfs/dbraw/zinc/36/75/00/451367500.db2.gz UVHNHSAHGAYBJN-KBAYOESNSA-N 2 1 346.475 1.188 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000636629661 451367504 /nfs/dbraw/zinc/36/75/04/451367504.db2.gz UVHNHSAHGAYBJN-KBAYOESNSA-N 2 1 346.475 1.188 20 0 EDADMP C[C@H](C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000640518114 451368540 /nfs/dbraw/zinc/36/85/40/451368540.db2.gz GTCFIDJITGWYPN-JJTUDDRGSA-N 2 1 337.508 1.863 20 0 EDADMP C[C@H](C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000640518114 451368546 /nfs/dbraw/zinc/36/85/46/451368546.db2.gz GTCFIDJITGWYPN-JJTUDDRGSA-N 2 1 337.508 1.863 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000635927431 451369953 /nfs/dbraw/zinc/36/99/53/451369953.db2.gz NOFUHVYPLMJVCO-IRXDYDNUSA-N 2 1 341.496 1.057 20 0 EDADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCN1C(=O)NC(C)(C)C1=O ZINC000640530629 451382946 /nfs/dbraw/zinc/38/29/46/451382946.db2.gz FHCFZMRSGMENEN-UHFFFAOYSA-N 2 1 338.496 1.905 20 0 EDADMP COC[C@]1(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCCC[NH2+]1 ZINC000638287249 451404562 /nfs/dbraw/zinc/40/45/62/451404562.db2.gz UVHQPCYIPMJCQM-KPFFTGBYSA-N 2 1 345.487 1.782 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000632579404 451419906 /nfs/dbraw/zinc/41/99/06/451419906.db2.gz RZYSMMFPNQYFOW-HNNXBMFYSA-N 2 1 329.510 1.122 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000632579404 451419911 /nfs/dbraw/zinc/41/99/11/451419911.db2.gz RZYSMMFPNQYFOW-HNNXBMFYSA-N 2 1 329.510 1.122 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)c1 ZINC000638328745 451436966 /nfs/dbraw/zinc/43/69/66/451436966.db2.gz KKHKCPNNNSEJFS-MSOLQXFVSA-N 2 1 340.427 1.133 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc(OC)c1C ZINC000630879671 451459259 /nfs/dbraw/zinc/45/92/59/451459259.db2.gz LHGCJTLLGKBPIB-MRXNPFEDSA-N 2 1 348.491 1.887 20 0 EDADMP CC(C)(C)NC(=O)CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634702716 451477975 /nfs/dbraw/zinc/47/79/75/451477975.db2.gz KQNUNYJOWKVOOK-LJQANCHMSA-N 2 1 333.476 1.518 20 0 EDADMP CC(C)(C)NC(=O)CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634702716 451477977 /nfs/dbraw/zinc/47/79/77/451477977.db2.gz KQNUNYJOWKVOOK-LJQANCHMSA-N 2 1 333.476 1.518 20 0 EDADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(=O)n1C ZINC000634712985 451492579 /nfs/dbraw/zinc/49/25/79/451492579.db2.gz PBMFUIOZLNNEHO-HXUWFJFHSA-N 2 1 341.455 1.420 20 0 EDADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(=O)n1C ZINC000634712985 451492585 /nfs/dbraw/zinc/49/25/85/451492585.db2.gz PBMFUIOZLNNEHO-HXUWFJFHSA-N 2 1 341.455 1.420 20 0 EDADMP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000638428753 451509693 /nfs/dbraw/zinc/50/96/93/451509693.db2.gz BCFUGUYDIPSRJB-RBUKOAKNSA-N 2 1 346.519 1.682 20 0 EDADMP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000638428753 451509699 /nfs/dbraw/zinc/50/96/99/451509699.db2.gz BCFUGUYDIPSRJB-RBUKOAKNSA-N 2 1 346.519 1.682 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000636159254 451554114 /nfs/dbraw/zinc/55/41/14/451554114.db2.gz DNEXSWWBTQXGTL-OTWHNJEPSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH2+]CCOCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000638580556 451588076 /nfs/dbraw/zinc/58/80/76/451588076.db2.gz QGEGHZFKBSPEND-KRWDZBQOSA-N 2 1 337.439 1.532 20 0 EDADMP C[NH2+]CCOCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000638580556 451588083 /nfs/dbraw/zinc/58/80/83/451588083.db2.gz QGEGHZFKBSPEND-KRWDZBQOSA-N 2 1 337.439 1.532 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636227961 451605239 /nfs/dbraw/zinc/60/52/39/451605239.db2.gz ZVMDWHBXRFJJDL-KZNAEPCWSA-N 2 1 347.503 1.763 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@H]1CC[N@H+]1C1CCCC1 ZINC000636227961 451605246 /nfs/dbraw/zinc/60/52/46/451605246.db2.gz ZVMDWHBXRFJJDL-KZNAEPCWSA-N 2 1 347.503 1.763 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C[N@H+]1Cc1ccccc1 ZINC000636920224 451607859 /nfs/dbraw/zinc/60/78/59/451607859.db2.gz UTPJRNPXHUKMNP-JQHSSLGASA-N 2 1 346.475 1.015 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C[NH+]1Cc1ccccc1 ZINC000636920224 451607862 /nfs/dbraw/zinc/60/78/62/451607862.db2.gz UTPJRNPXHUKMNP-JQHSSLGASA-N 2 1 346.475 1.015 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C[NH+]1Cc1ccccc1 ZINC000636920224 451607865 /nfs/dbraw/zinc/60/78/65/451607865.db2.gz UTPJRNPXHUKMNP-JQHSSLGASA-N 2 1 346.475 1.015 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)n2cc(CC[NH+]3CCCCC3)nn2)CC1 ZINC000640829294 451614501 /nfs/dbraw/zinc/61/45/01/451614501.db2.gz AURGRUCFMALUFS-INIZCTEOSA-N 2 1 348.495 1.032 20 0 EDADMP CC(C)[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(=O)N1CCCC1 ZINC000638637513 451624755 /nfs/dbraw/zinc/62/47/55/451624755.db2.gz RBQYSBZDEFCPSL-INIZCTEOSA-N 2 1 325.497 1.458 20 0 EDADMP CCC(CC)NC(=O)[C@@H](C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640905672 451684036 /nfs/dbraw/zinc/68/40/36/451684036.db2.gz BBXIPLMHQFVPJG-CYBMUJFWSA-N 2 1 336.484 1.110 20 0 EDADMP CC[C@H]([NH3+])c1cn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000640952889 451702616 /nfs/dbraw/zinc/70/26/16/451702616.db2.gz GQTKAIHLJQYVJJ-INIZCTEOSA-N 2 1 342.447 1.032 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000641042989 451740091 /nfs/dbraw/zinc/74/00/91/451740091.db2.gz KOGZICFLUHERHD-YVSFHVDLSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000641042989 451740094 /nfs/dbraw/zinc/74/00/94/451740094.db2.gz KOGZICFLUHERHD-YVSFHVDLSA-N 2 1 338.496 1.412 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000639006337 451751754 /nfs/dbraw/zinc/75/17/54/451751754.db2.gz VXJLROZJPRUNRE-HZPDHXFCSA-N 2 1 337.414 1.930 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000637207476 451756522 /nfs/dbraw/zinc/75/65/22/451756522.db2.gz IRWQHODBFXZUIH-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000641163414 451766379 /nfs/dbraw/zinc/76/63/79/451766379.db2.gz JHCAEFQPFFXJJR-CQSZACIVSA-N 2 1 346.475 1.276 20 0 EDADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000639265639 451801221 /nfs/dbraw/zinc/80/12/21/451801221.db2.gz VKSBGHFOUUSLSN-CEXWTWQISA-N 2 1 345.487 1.782 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000639265639 451801222 /nfs/dbraw/zinc/80/12/22/451801222.db2.gz VKSBGHFOUUSLSN-CEXWTWQISA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000637369299 451802487 /nfs/dbraw/zinc/80/24/87/451802487.db2.gz XTPULAZWICTAPO-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000637369299 451802489 /nfs/dbraw/zinc/80/24/89/451802489.db2.gz XTPULAZWICTAPO-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000637369299 451802491 /nfs/dbraw/zinc/80/24/91/451802491.db2.gz XTPULAZWICTAPO-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000637369299 451802493 /nfs/dbraw/zinc/80/24/93/451802493.db2.gz XTPULAZWICTAPO-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP CC(C)[C@H](C(=O)NCCC1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653272018 451806801 /nfs/dbraw/zinc/80/68/01/451806801.db2.gz VLVATRURCSHANX-HLLBOEOZSA-N 2 1 325.497 1.626 20 0 EDADMP CC(C)[C@H](C(=O)NCCC1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653272018 451806806 /nfs/dbraw/zinc/80/68/06/451806806.db2.gz VLVATRURCSHANX-HLLBOEOZSA-N 2 1 325.497 1.626 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000646795493 451845361 /nfs/dbraw/zinc/84/53/61/451845361.db2.gz MQQPAIATMHFFDJ-LJQANCHMSA-N 2 1 347.503 1.636 20 0 EDADMP COCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646795493 451845367 /nfs/dbraw/zinc/84/53/67/451845367.db2.gz MQQPAIATMHFFDJ-LJQANCHMSA-N 2 1 347.503 1.636 20 0 EDADMP COCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646795493 451845370 /nfs/dbraw/zinc/84/53/70/451845370.db2.gz MQQPAIATMHFFDJ-LJQANCHMSA-N 2 1 347.503 1.636 20 0 EDADMP CC(C)[NH+](CCCNC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000644581368 451873521 /nfs/dbraw/zinc/87/35/21/451873521.db2.gz GHOCPGRSLGZRTQ-KSZLIROESA-N 2 1 329.529 1.555 20 0 EDADMP CC(C)[NH+](CCCNC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000644581368 451873528 /nfs/dbraw/zinc/87/35/28/451873528.db2.gz GHOCPGRSLGZRTQ-KSZLIROESA-N 2 1 329.529 1.555 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000651506451 451876080 /nfs/dbraw/zinc/87/60/80/451876080.db2.gz OYHRXPHBABWPEN-PBHICJAKSA-N 2 1 332.448 1.123 20 0 EDADMP C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000642684762 451915575 /nfs/dbraw/zinc/91/55/75/451915575.db2.gz CQWIGUHTSAMLQY-LSDHHAIUSA-N 2 1 346.475 1.141 20 0 EDADMP C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000642684760 451915821 /nfs/dbraw/zinc/91/58/21/451915821.db2.gz CQWIGUHTSAMLQY-GJZGRUSLSA-N 2 1 346.475 1.141 20 0 EDADMP C[N@H+]1CC[C@@H](NS(=O)(=O)CCn2ccnc2)[C@@H]1c1ccccc1 ZINC000641398749 451937467 /nfs/dbraw/zinc/93/74/67/451937467.db2.gz KFEBWDSUKITIAH-CVEARBPZSA-N 2 1 334.445 1.248 20 0 EDADMP CN1CC[C@@H](NS(=O)(=O)CCn2ccnc2)[C@@H]1c1ccccc1 ZINC000641398749 451937472 /nfs/dbraw/zinc/93/74/72/451937472.db2.gz KFEBWDSUKITIAH-CVEARBPZSA-N 2 1 334.445 1.248 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649287596 451960924 /nfs/dbraw/zinc/96/09/24/451960924.db2.gz SRAUQUQTZHEELM-GOSISDBHSA-N 2 1 331.460 1.265 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@]3(N)CC[NH+](C)C3)cc2)C1 ZINC000649288566 451961814 /nfs/dbraw/zinc/96/18/14/451961814.db2.gz YZKZQIOXQVHVDI-UZLBHIALSA-N 2 1 344.503 1.568 20 0 EDADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@]3(N)CC[N@H+](C)C3)cc2)C1 ZINC000649288566 451961818 /nfs/dbraw/zinc/96/18/18/451961818.db2.gz YZKZQIOXQVHVDI-UZLBHIALSA-N 2 1 344.503 1.568 20 0 EDADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@]3(N)CC[N@@H+](C)C3)cc2)C1 ZINC000649288566 451961822 /nfs/dbraw/zinc/96/18/22/451961822.db2.gz YZKZQIOXQVHVDI-UZLBHIALSA-N 2 1 344.503 1.568 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3C[NH2+]CCC3(F)F)CC2)c1 ZINC000649279447 451951209 /nfs/dbraw/zinc/95/12/09/451951209.db2.gz QIHVXNCBONOVMB-MRXNPFEDSA-N 2 1 337.414 1.884 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000649308486 451984973 /nfs/dbraw/zinc/98/49/73/451984973.db2.gz JJOSDYJCACQKGW-KRWDZBQOSA-N 2 1 344.459 1.545 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000649308661 451987064 /nfs/dbraw/zinc/98/70/64/451987064.db2.gz SKQAGGMVWKYXDD-INIZCTEOSA-N 2 1 332.448 1.386 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)CN3CCCC[C@@H]([NH3+])C3=O)c2C1 ZINC000649312847 451991263 /nfs/dbraw/zinc/99/12/63/451991263.db2.gz CIVKDUWWQDUASY-MRXNPFEDSA-N 2 1 344.459 1.691 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)CN3CCCC[C@@H]([NH3+])C3=O)c2C1 ZINC000649312847 451991268 /nfs/dbraw/zinc/99/12/68/451991268.db2.gz CIVKDUWWQDUASY-MRXNPFEDSA-N 2 1 344.459 1.691 20 0 EDADMP O[C@@]1(C[N@@H+]2CC[C@H](n3cccn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639651470 452000318 /nfs/dbraw/zinc/00/03/18/452000318.db2.gz YCBMVGYCHBTYNS-RBUKOAKNSA-N 2 1 326.444 1.767 20 0 EDADMP O[C@@]1(C[N@H+]2CC[C@H](n3cccn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639651470 452000322 /nfs/dbraw/zinc/00/03/22/452000322.db2.gz YCBMVGYCHBTYNS-RBUKOAKNSA-N 2 1 326.444 1.767 20 0 EDADMP O[C@@]1(C[NH+]2CC[C@H](n3cccn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639651470 452000328 /nfs/dbraw/zinc/00/03/28/452000328.db2.gz YCBMVGYCHBTYNS-RBUKOAKNSA-N 2 1 326.444 1.767 20 0 EDADMP O[C@@]1(C[NH+]2CC[C@H](n3cccn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639651470 452000335 /nfs/dbraw/zinc/00/03/35/452000335.db2.gz YCBMVGYCHBTYNS-RBUKOAKNSA-N 2 1 326.444 1.767 20 0 EDADMP COCCC1(C(=O)N2CCC[C@@H](n3cc[nH+]c3C)C2)CC[NH2+]CC1 ZINC000649327809 452007754 /nfs/dbraw/zinc/00/77/54/452007754.db2.gz LNDLECPHITYZIV-MRXNPFEDSA-N 2 1 334.464 1.761 20 0 EDADMP C[C@H]([NH2+]C1(CNC(=O)[C@]2(N)CC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000649331704 452013251 /nfs/dbraw/zinc/01/32/51/452013251.db2.gz PFJVYVHJKMJRRW-JXFKEZNVSA-N 2 1 344.503 1.799 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649340115 452020520 /nfs/dbraw/zinc/02/05/20/452020520.db2.gz CRXPEOLZYXLHGV-KANFNMMFSA-N 2 1 345.487 1.767 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649340115 452020526 /nfs/dbraw/zinc/02/05/26/452020526.db2.gz CRXPEOLZYXLHGV-KANFNMMFSA-N 2 1 345.487 1.767 20 0 EDADMP COC[C@@]1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649342872 452023223 /nfs/dbraw/zinc/02/32/23/452023223.db2.gz VBMBLQULWDJXMU-IEBWSBKVSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H]([NH3+])CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000641492805 452024096 /nfs/dbraw/zinc/02/40/96/452024096.db2.gz GISCJXHAKJUOFE-XIRDDKMYSA-N 2 1 339.528 1.312 20 0 EDADMP C[C@H]([NH3+])CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000641492804 452024329 /nfs/dbraw/zinc/02/43/29/452024329.db2.gz GISCJXHAKJUOFE-USXIJHARSA-N 2 1 339.528 1.312 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000649345596 452026993 /nfs/dbraw/zinc/02/69/93/452026993.db2.gz GPIPGRXSDWIROD-PMPSAXMXSA-N 2 1 346.479 1.292 20 0 EDADMP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000643080229 452034582 /nfs/dbraw/zinc/03/45/82/452034582.db2.gz IXTIPYLBXQARTI-XJKSGUPXSA-N 2 1 328.420 1.401 20 0 EDADMP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000643080229 452034588 /nfs/dbraw/zinc/03/45/88/452034588.db2.gz IXTIPYLBXQARTI-XJKSGUPXSA-N 2 1 328.420 1.401 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000649351110 452035923 /nfs/dbraw/zinc/03/59/23/452035923.db2.gz OOCQVNVRRAZUPP-WMZOPIPTSA-N 2 1 330.476 1.300 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000649352660 452036857 /nfs/dbraw/zinc/03/68/57/452036857.db2.gz CLUUWNWRSSPNRK-HKUYNNGSSA-N 2 1 344.503 1.642 20 0 EDADMP CN(C(=O)CCc1ncccn1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000643230262 452084999 /nfs/dbraw/zinc/08/49/99/452084999.db2.gz AXHYVXWPVWEVNK-MRXNPFEDSA-N 2 1 331.464 1.036 20 0 EDADMP CN(C(=O)CCc1ncccn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643230262 452085005 /nfs/dbraw/zinc/08/50/05/452085005.db2.gz AXHYVXWPVWEVNK-MRXNPFEDSA-N 2 1 331.464 1.036 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000637806485 452092044 /nfs/dbraw/zinc/09/20/44/452092044.db2.gz LFWLPCYFUYDBNQ-GOSISDBHSA-N 2 1 330.476 1.189 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000637806485 452092051 /nfs/dbraw/zinc/09/20/51/452092051.db2.gz LFWLPCYFUYDBNQ-GOSISDBHSA-N 2 1 330.476 1.189 20 0 EDADMP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000637823528 452101729 /nfs/dbraw/zinc/10/17/29/452101729.db2.gz RKNHDZYIWOIHCI-BJLQDIEVSA-N 2 1 343.471 1.332 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CCc1ccc2c(c1)OC(F)(F)O2)C1CC1 ZINC000649488670 452108852 /nfs/dbraw/zinc/10/88/52/452108852.db2.gz VNKMKDFELAHNHU-CYBMUJFWSA-N 2 1 328.359 1.595 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CCc1ccc2c(c1)OC(F)(F)O2)C1CC1 ZINC000649488670 452108859 /nfs/dbraw/zinc/10/88/59/452108859.db2.gz VNKMKDFELAHNHU-CYBMUJFWSA-N 2 1 328.359 1.595 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCCC[C@H]1CO)c1ccccc1 ZINC000653783491 452114692 /nfs/dbraw/zinc/11/46/92/452114692.db2.gz LXLSMHTUHDTXIQ-ZWKOTPCHSA-N 2 1 333.476 1.642 20 0 EDADMP C[N@H+]1CCC[C@H]1CC[NH+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639776802 452122074 /nfs/dbraw/zinc/12/20/74/452122074.db2.gz RVVIUBWUXGLDSG-IRXDYDNUSA-N 2 1 327.538 1.610 20 0 EDADMP C[NH+]1CCC[C@H]1CC[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639776802 452122079 /nfs/dbraw/zinc/12/20/79/452122079.db2.gz RVVIUBWUXGLDSG-IRXDYDNUSA-N 2 1 327.538 1.610 20 0 EDADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639776802 452122080 /nfs/dbraw/zinc/12/20/80/452122080.db2.gz RVVIUBWUXGLDSG-IRXDYDNUSA-N 2 1 327.538 1.610 20 0 EDADMP CN(C)c1ncc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1C ZINC000647249287 452145724 /nfs/dbraw/zinc/14/57/24/452145724.db2.gz PRBLGPDUDJGSHD-AEFFLSMTSA-N 2 1 327.476 1.921 20 0 EDADMP CN(C)c1ncc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)n1C ZINC000647249287 452145727 /nfs/dbraw/zinc/14/57/27/452145727.db2.gz PRBLGPDUDJGSHD-AEFFLSMTSA-N 2 1 327.476 1.921 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)c2cccs2)CC1 ZINC000645182513 452199651 /nfs/dbraw/zinc/19/96/51/452199651.db2.gz JYIKZCUGKRTNAH-UKRRQHHQSA-N 2 1 336.505 1.151 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC000654013268 452203820 /nfs/dbraw/zinc/20/38/20/452203820.db2.gz YRHBLBFENLCOHE-HOTGVXAUSA-N 2 1 334.468 1.583 20 0 EDADMP C[C@@H]1C[N@@H+](CCN2CC3(CCCC3)OC[C@H]2C[NH+](C)C)C[C@H](C)O1 ZINC000639880829 452216128 /nfs/dbraw/zinc/21/61/28/452216128.db2.gz SDHYDHBXMNSPFM-FGTMMUONSA-N 2 1 339.524 1.671 20 0 EDADMP C[C@@H]1C[N@H+](CCN2CC3(CCCC3)OC[C@H]2C[NH+](C)C)C[C@H](C)O1 ZINC000639880829 452216135 /nfs/dbraw/zinc/21/61/35/452216135.db2.gz SDHYDHBXMNSPFM-FGTMMUONSA-N 2 1 339.524 1.671 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1OCc1cccnc1 ZINC000647492549 452235516 /nfs/dbraw/zinc/23/55/16/452235516.db2.gz IXCFBDORBAWESM-UHFFFAOYSA-N 2 1 340.471 1.998 20 0 EDADMP C[C@@H](O)CCN(C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638009072 452247983 /nfs/dbraw/zinc/24/79/83/452247983.db2.gz YPVYEDLVOJSFSK-MRXNPFEDSA-N 2 1 333.476 1.599 20 0 EDADMP CCc1nc(CN[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cs1 ZINC000641789324 452267411 /nfs/dbraw/zinc/26/74/11/452267411.db2.gz BHHOLCYJCZEHCM-OAHLLOKOSA-N 2 1 338.521 1.592 20 0 EDADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000641802898 452276686 /nfs/dbraw/zinc/27/66/86/452276686.db2.gz BXGCAQDTZPEBJO-RRQGHBQHSA-N 2 1 346.475 1.145 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000641803516 452279522 /nfs/dbraw/zinc/27/95/22/452279522.db2.gz GIMQBCDNMOMPIN-KBPBESRZSA-N 2 1 341.402 1.662 20 0 EDADMP CN(CCCOc1ccc(F)cc1)C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641804542 452282027 /nfs/dbraw/zinc/28/20/27/452282027.db2.gz KGYVYDSPEXVPNX-HZPDHXFCSA-N 2 1 337.439 1.768 20 0 EDADMP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000659438162 452286761 /nfs/dbraw/zinc/28/67/61/452286761.db2.gz PITNVIIVAKARGE-HFCFLWKCSA-N 2 1 328.460 1.702 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC[C@H]3CCO3)CC2)CC1 ZINC000638034152 452288172 /nfs/dbraw/zinc/28/81/72/452288172.db2.gz JSJAVYWYPMFNPM-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000641809893 452290335 /nfs/dbraw/zinc/29/03/35/452290335.db2.gz YSTPMTWFBGVBMV-RCBQFDQVSA-N 2 1 344.459 1.856 20 0 EDADMP C[C@H](NC(=O)N(C)CCCC[NH+]1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000641815751 452297513 /nfs/dbraw/zinc/29/75/13/452297513.db2.gz HYJFGWNAXUKDEL-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H](NC(=O)N(C)CCCC[NH+]1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000641815751 452297522 /nfs/dbraw/zinc/29/75/22/452297522.db2.gz HYJFGWNAXUKDEL-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP C[NH+]1CCC[C@H](CNc2cnc(NC[C@@H]3CCC[N@H+](C)C3)cn2)C1 ZINC000663578435 452301031 /nfs/dbraw/zinc/30/10/31/452301031.db2.gz BNJGZBXNRPVIQY-IYBDPMFKSA-N 2 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@@H](CNc2cnc(NC[C@H]3CCC[N@H+](C)C3)cn2)C1 ZINC000663578435 452301040 /nfs/dbraw/zinc/30/10/40/452301040.db2.gz BNJGZBXNRPVIQY-IYBDPMFKSA-N 2 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@@H](CNc2cnc(NC[C@H]3CCC[N@@H+](C)C3)cn2)C1 ZINC000663578435 452301046 /nfs/dbraw/zinc/30/10/46/452301046.db2.gz BNJGZBXNRPVIQY-IYBDPMFKSA-N 2 1 332.496 1.984 20 0 EDADMP CCO[C@@H]1CN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000652128907 452325837 /nfs/dbraw/zinc/32/58/37/452325837.db2.gz OJZGHPRNXBXSJN-BRWVUGGUSA-N 2 1 340.512 1.646 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC(C)(C)c1cnn(C)c1 ZINC000665758309 452328039 /nfs/dbraw/zinc/32/80/39/452328039.db2.gz FGBJCOQBJNWTPU-AWEZNQCLSA-N 2 1 338.500 1.226 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC(C)(C)c1cnn(C)c1 ZINC000665758309 452328049 /nfs/dbraw/zinc/32/80/49/452328049.db2.gz FGBJCOQBJNWTPU-AWEZNQCLSA-N 2 1 338.500 1.226 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC(C)(C)OC(C)(C)C1 ZINC000665762064 452336010 /nfs/dbraw/zinc/33/60/10/452336010.db2.gz ZNMOPVZKXILCQF-HNNXBMFYSA-N 2 1 342.528 1.857 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC(C)(C)OC(C)(C)C1 ZINC000665762064 452336016 /nfs/dbraw/zinc/33/60/16/452336016.db2.gz ZNMOPVZKXILCQF-HNNXBMFYSA-N 2 1 342.528 1.857 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000665763462 452346280 /nfs/dbraw/zinc/34/62/80/452346280.db2.gz BHNWBSHATQUEGV-JKSUJKDBSA-N 2 1 327.517 1.042 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C1 ZINC000665763462 452346291 /nfs/dbraw/zinc/34/62/91/452346291.db2.gz BHNWBSHATQUEGV-JKSUJKDBSA-N 3 1 327.517 1.042 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C1 ZINC000665763462 452346300 /nfs/dbraw/zinc/34/63/00/452346300.db2.gz BHNWBSHATQUEGV-JKSUJKDBSA-N 3 1 327.517 1.042 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665763462 452346312 /nfs/dbraw/zinc/34/63/12/452346312.db2.gz BHNWBSHATQUEGV-JKSUJKDBSA-N 3 1 327.517 1.042 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665763462 452346319 /nfs/dbraw/zinc/34/63/19/452346319.db2.gz BHNWBSHATQUEGV-JKSUJKDBSA-N 3 1 327.517 1.042 20 0 EDADMP COC[C@]1(C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCCC[NH2+]1 ZINC000638060003 452352473 /nfs/dbraw/zinc/35/24/73/452352473.db2.gz XOQIBCKBKQHDLE-FQEVSTJZSA-N 2 1 345.487 1.532 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638065865 452367387 /nfs/dbraw/zinc/36/73/87/452367387.db2.gz BZJMDXQYUDJZLN-SOLBZPMBSA-N 2 1 325.497 1.616 20 0 EDADMP C[C@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000638067600 452371134 /nfs/dbraw/zinc/37/11/34/452371134.db2.gz FPAMEZPCCFKOJX-LMMKCTJWSA-N 2 1 346.519 1.682 20 0 EDADMP C[C@H](CNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638067600 452371142 /nfs/dbraw/zinc/37/11/42/452371142.db2.gz FPAMEZPCCFKOJX-LMMKCTJWSA-N 2 1 346.519 1.682 20 0 EDADMP C[C@H](CNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000638067600 452371153 /nfs/dbraw/zinc/37/11/53/452371153.db2.gz FPAMEZPCCFKOJX-LMMKCTJWSA-N 2 1 346.519 1.682 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000659523855 452387606 /nfs/dbraw/zinc/38/76/06/452387606.db2.gz XUDJBUPQNJCMFW-QZTJIDSGSA-N 2 1 348.491 1.426 20 0 EDADMP C[C@H](C[NH3+])NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659530751 452392901 /nfs/dbraw/zinc/39/29/01/452392901.db2.gz LKKKHMQDUCDCEJ-WBVHZDCISA-N 2 1 330.476 1.935 20 0 EDADMP COCC1(CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC[NH2+]CC1 ZINC000659543182 452400999 /nfs/dbraw/zinc/40/09/99/452400999.db2.gz TVLYVLIMAAUXKV-AWEZNQCLSA-N 2 1 326.485 1.175 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(CCc2cnccn2)CC1 ZINC000640099304 452423974 /nfs/dbraw/zinc/42/39/74/452423974.db2.gz OURQNJKJLYFAIU-UHFFFAOYSA-N 2 1 328.464 1.622 20 0 EDADMP C[C@@H](CCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)[NH+](C)C ZINC000663739920 452471515 /nfs/dbraw/zinc/47/15/15/452471515.db2.gz RMQBIKAIQHHAGJ-INIZCTEOSA-N 2 1 348.491 1.658 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616326 452473716 /nfs/dbraw/zinc/47/37/16/452473716.db2.gz FSWXKQMTOGWQSJ-DMKPSLHHSA-N 2 1 328.460 1.654 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616326 452473722 /nfs/dbraw/zinc/47/37/22/452473722.db2.gz FSWXKQMTOGWQSJ-DMKPSLHHSA-N 2 1 328.460 1.654 20 0 EDADMP C(Cc1nnc2n1CCCCC2)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655685463 452507825 /nfs/dbraw/zinc/50/78/25/452507825.db2.gz DQOGHMWRSKIIAR-MRXNPFEDSA-N 2 1 333.480 1.390 20 0 EDADMP CC(C)[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)N1CCOCC1 ZINC000655690925 452513039 /nfs/dbraw/zinc/51/30/39/452513039.db2.gz AGPMHKNOYINANZ-QZTJIDSGSA-N 2 1 325.497 1.186 20 0 EDADMP Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652345995 452520729 /nfs/dbraw/zinc/52/07/29/452520729.db2.gz QNYXJJWKQAYGTF-OTWHNJEPSA-N 2 1 345.487 1.830 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346760 452521918 /nfs/dbraw/zinc/52/19/18/452521918.db2.gz HEJYZDSGBKSBCC-LUKYLMHMSA-N 2 1 341.496 1.136 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661718739 452525840 /nfs/dbraw/zinc/52/58/40/452525840.db2.gz JUCCMQCBSLRXAV-MJKGWSOKSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661718739 452525850 /nfs/dbraw/zinc/52/58/50/452525850.db2.gz JUCCMQCBSLRXAV-MJKGWSOKSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661718739 452525861 /nfs/dbraw/zinc/52/58/61/452525861.db2.gz JUCCMQCBSLRXAV-MJKGWSOKSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661718739 452525870 /nfs/dbraw/zinc/52/58/70/452525870.db2.gz JUCCMQCBSLRXAV-MJKGWSOKSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@@H]1CCC[N@H+](CC(=O)NCCOc2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000652355353 452532619 /nfs/dbraw/zinc/53/26/19/452532619.db2.gz WKUTWFCLUZNBOB-PBHICJAKSA-N 2 1 337.439 1.770 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000652355353 452532631 /nfs/dbraw/zinc/53/26/31/452532631.db2.gz WKUTWFCLUZNBOB-PBHICJAKSA-N 2 1 337.439 1.770 20 0 EDADMP Cc1csc(=O)n1CC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652362007 452544716 /nfs/dbraw/zinc/54/47/16/452544716.db2.gz VMRSKOQMRUPOQQ-RBSFLKMASA-N 2 1 325.478 1.579 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000652362703 452544910 /nfs/dbraw/zinc/54/49/10/452544910.db2.gz NBGVSNGKMCACKG-SYQHCUMBSA-N 2 1 349.397 1.510 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000652362703 452544918 /nfs/dbraw/zinc/54/49/18/452544918.db2.gz NBGVSNGKMCACKG-SYQHCUMBSA-N 2 1 349.397 1.510 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)CC1 ZINC000657838222 452559558 /nfs/dbraw/zinc/55/95/58/452559558.db2.gz PDHDWKFJNMPSMT-SFHVURJKSA-N 2 1 343.471 1.875 20 0 EDADMP C[C@H](O)[C@H]1CCC[NH+]1Cc1cncc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)c1 ZINC000661768002 452563991 /nfs/dbraw/zinc/56/39/91/452563991.db2.gz SQSJMGUEOZCTKX-ILRDRHFLSA-N 2 1 333.476 1.772 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000647835058 452570604 /nfs/dbraw/zinc/57/06/04/452570604.db2.gz KOZBPMRJLVOADF-UHFFFAOYSA-N 2 1 346.519 1.651 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000647835058 452570611 /nfs/dbraw/zinc/57/06/11/452570611.db2.gz KOZBPMRJLVOADF-UHFFFAOYSA-N 2 1 346.519 1.651 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000647835094 452570702 /nfs/dbraw/zinc/57/07/02/452570702.db2.gz MSLLGZCZQURMHE-IBGZPJMESA-N 2 1 344.503 1.577 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000647835094 452570706 /nfs/dbraw/zinc/57/07/06/452570706.db2.gz MSLLGZCZQURMHE-IBGZPJMESA-N 2 1 344.503 1.577 20 0 EDADMP Cc1ccc([C@H](NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000647835645 452572410 /nfs/dbraw/zinc/57/24/10/452572410.db2.gz GXCHGJVJNZUVOR-FQEVSTJZSA-N 2 1 344.503 1.399 20 0 EDADMP Cc1ccc([C@H](NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000647835645 452572418 /nfs/dbraw/zinc/57/24/18/452572418.db2.gz GXCHGJVJNZUVOR-FQEVSTJZSA-N 2 1 344.503 1.399 20 0 EDADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1(O)CCOCC1 ZINC000655777354 452572865 /nfs/dbraw/zinc/57/28/65/452572865.db2.gz UHWQDYYOCPWDGX-KRWDZBQOSA-N 2 1 340.508 1.787 20 0 EDADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655801232 452586964 /nfs/dbraw/zinc/58/69/64/452586964.db2.gz LSXUWHIXUITEQV-VXNCWWDNSA-N 2 1 339.524 1.717 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654523546 452602087 /nfs/dbraw/zinc/60/20/87/452602087.db2.gz LJVBHBQBPADCJR-LVQVYYBASA-N 2 1 338.496 1.434 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654523546 452602096 /nfs/dbraw/zinc/60/20/96/452602096.db2.gz LJVBHBQBPADCJR-LVQVYYBASA-N 2 1 338.496 1.434 20 0 EDADMP C[C@@H](NC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000654523546 452602102 /nfs/dbraw/zinc/60/21/02/452602102.db2.gz LJVBHBQBPADCJR-LVQVYYBASA-N 2 1 338.496 1.434 20 0 EDADMP C[C@@H](NC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000654523546 452602107 /nfs/dbraw/zinc/60/21/07/452602107.db2.gz LJVBHBQBPADCJR-LVQVYYBASA-N 2 1 338.496 1.434 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2noc3c2CCCC3)C1)[C@H]1CCC[NH2+]1 ZINC000647905810 452646968 /nfs/dbraw/zinc/64/69/68/452646968.db2.gz SNYYJRWLZRNGHC-GOEBONIOSA-N 2 1 346.475 1.634 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1)[C@H]1CCC[NH2+]1 ZINC000647905810 452646981 /nfs/dbraw/zinc/64/69/81/452646981.db2.gz SNYYJRWLZRNGHC-GOEBONIOSA-N 2 1 346.475 1.634 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](Cc2noc3c2CCCC3)C1)[C@@H]1CCC[NH2+]1 ZINC000647905812 452647528 /nfs/dbraw/zinc/64/75/28/452647528.db2.gz SNYYJRWLZRNGHC-ZBFHGGJFSA-N 2 1 346.475 1.634 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1)[C@@H]1CCC[NH2+]1 ZINC000647905812 452647530 /nfs/dbraw/zinc/64/75/30/452647530.db2.gz SNYYJRWLZRNGHC-ZBFHGGJFSA-N 2 1 346.475 1.634 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000647957282 452698868 /nfs/dbraw/zinc/69/88/68/452698868.db2.gz IWWWEHWQUXPNKY-CRAIPNDOSA-N 2 1 331.464 1.961 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000647957282 452698874 /nfs/dbraw/zinc/69/88/74/452698874.db2.gz IWWWEHWQUXPNKY-CRAIPNDOSA-N 2 1 331.464 1.961 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000647957282 452698878 /nfs/dbraw/zinc/69/88/78/452698878.db2.gz IWWWEHWQUXPNKY-CRAIPNDOSA-N 2 1 331.464 1.961 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000647957282 452698886 /nfs/dbraw/zinc/69/88/86/452698886.db2.gz IWWWEHWQUXPNKY-CRAIPNDOSA-N 2 1 331.464 1.961 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000661954078 452715713 /nfs/dbraw/zinc/71/57/13/452715713.db2.gz UHKMBWWUGNQICI-BBWFWOEESA-N 2 1 338.496 1.148 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC000661953137 452716012 /nfs/dbraw/zinc/71/60/12/452716012.db2.gz MGJCHECHZGVHNL-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000655970283 452752840 /nfs/dbraw/zinc/75/28/40/452752840.db2.gz HBKHMIWPZVDREG-WCVJEAGWSA-N 2 1 326.485 1.125 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000655970283 452752848 /nfs/dbraw/zinc/75/28/48/452752848.db2.gz HBKHMIWPZVDREG-WCVJEAGWSA-N 2 1 326.485 1.125 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653810 452759233 /nfs/dbraw/zinc/75/92/33/452759233.db2.gz LYKDKUIVOBWAOH-ZACQAIPSSA-N 2 1 342.528 1.857 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653810 452759240 /nfs/dbraw/zinc/75/92/40/452759240.db2.gz LYKDKUIVOBWAOH-ZACQAIPSSA-N 2 1 342.528 1.857 20 0 EDADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000643902374 452803375 /nfs/dbraw/zinc/80/33/75/452803375.db2.gz GEFZPPKIBDAPJA-OAHLLOKOSA-N 2 1 348.447 1.207 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000652705977 452858007 /nfs/dbraw/zinc/85/80/07/452858007.db2.gz SDHQVPQQEBLQJG-UHFFFAOYSA-N 2 1 340.512 1.248 20 0 EDADMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000648167616 452879019 /nfs/dbraw/zinc/87/90/19/452879019.db2.gz DMJIXTVNLRLOLF-OBKDMQGPSA-N 2 1 339.483 1.965 20 0 EDADMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000648179166 452892428 /nfs/dbraw/zinc/89/24/28/452892428.db2.gz LPXAYKVNFSEFGJ-HWWDLCQESA-N 2 1 343.475 1.048 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000648181115 452893950 /nfs/dbraw/zinc/89/39/50/452893950.db2.gz ZZKCAKBINVCJQY-VHDGCEQUSA-N 2 1 330.436 1.083 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705940 452943938 /nfs/dbraw/zinc/94/39/38/452943938.db2.gz ARKUNUBAFIHCTN-BZSNNMDCSA-N 2 1 331.460 1.765 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)CC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977879 452964304 /nfs/dbraw/zinc/96/43/04/452964304.db2.gz MIYIOTVAGMHEMP-IEBWSBKVSA-N 2 1 344.503 1.751 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977879 452964312 /nfs/dbraw/zinc/96/43/12/452964312.db2.gz MIYIOTVAGMHEMP-IEBWSBKVSA-N 2 1 344.503 1.751 20 0 EDADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000662257691 452984919 /nfs/dbraw/zinc/98/49/19/452984919.db2.gz PDYWMJFNBSPHPC-SFHVURJKSA-N 2 1 343.471 1.744 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000650780926 452992264 /nfs/dbraw/zinc/99/22/64/452992264.db2.gz JEWHLPGKTNTQMO-AEFFLSMTSA-N 2 1 332.492 1.895 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000650780926 452992272 /nfs/dbraw/zinc/99/22/72/452992272.db2.gz JEWHLPGKTNTQMO-AEFFLSMTSA-N 2 1 332.492 1.895 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1)CC(F)(F)F ZINC000662262564 452993864 /nfs/dbraw/zinc/99/38/64/452993864.db2.gz HLBVWFCTQAVJRS-KGLIPLIRSA-N 2 1 335.414 1.714 20 0 EDADMP CO[C@H](C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CCCCC1 ZINC000662270671 453000157 /nfs/dbraw/zinc/00/01/57/453000157.db2.gz BPMQEHZSGKYHCX-IAGOWNOFSA-N 2 1 325.497 1.901 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NCC[C@H](C)[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000664328420 453003250 /nfs/dbraw/zinc/00/32/50/453003250.db2.gz RPFNZNIWOBLRSZ-AWEZNQCLSA-N 2 1 348.495 1.702 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)CC(C)(C)[NH3+])CC2)cc1 ZINC000662293299 453017306 /nfs/dbraw/zinc/01/73/06/453017306.db2.gz GGJVOUDDWPYMJO-UHFFFAOYSA-N 2 1 346.519 1.698 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666627507 453019979 /nfs/dbraw/zinc/01/99/79/453019979.db2.gz QROYCQDILDLPOY-GASCZTMLSA-N 2 1 346.475 1.568 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000662305669 453025010 /nfs/dbraw/zinc/02/50/10/453025010.db2.gz JJEOKIGBGIHIDN-LJQANCHMSA-N 2 1 344.503 1.057 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCS[C@@H](c3ccccc3)C2)C1 ZINC000666640981 453031051 /nfs/dbraw/zinc/03/10/51/453031051.db2.gz UHMMSYFQSQOEMZ-DOTOQJQBSA-N 2 1 333.501 1.974 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000662384811 453094988 /nfs/dbraw/zinc/09/49/88/453094988.db2.gz XEXSBVYJTBHMAN-GOSISDBHSA-N 2 1 332.492 1.438 20 0 EDADMP C[C@H]1C[NH2+]CCN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662402561 453112087 /nfs/dbraw/zinc/11/20/87/453112087.db2.gz BXGDXSZXJLZVCZ-ZETCQYMHSA-N 2 1 330.251 1.548 20 0 EDADMP [NH3+][C@H](C(=O)NC1CCC([NH3+])CC1)c1ccccc1Br ZINC000662406595 453119082 /nfs/dbraw/zinc/11/90/82/453119082.db2.gz ZNCOBPSVBXKAGX-ZPPKWKGLSA-N 2 1 326.238 1.835 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000662493511 453209706 /nfs/dbraw/zinc/20/97/06/453209706.db2.gz NICBGMINAXAHAK-IRXDYDNUSA-N 2 1 326.529 1.387 20 0 EDADMP CO[C@H](C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000660333537 453223346 /nfs/dbraw/zinc/22/33/46/453223346.db2.gz CTEWJVMWVAXGIP-XUVXKRRUSA-N 2 1 348.487 1.607 20 0 EDADMP CO[C@H](C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000660333537 453223352 /nfs/dbraw/zinc/22/33/52/453223352.db2.gz CTEWJVMWVAXGIP-XUVXKRRUSA-N 2 1 348.487 1.607 20 0 EDADMP CO[C@H](C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000660333537 453223361 /nfs/dbraw/zinc/22/33/61/453223361.db2.gz CTEWJVMWVAXGIP-XUVXKRRUSA-N 2 1 348.487 1.607 20 0 EDADMP CO[C@H](C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000660333537 453223370 /nfs/dbraw/zinc/22/33/70/453223370.db2.gz CTEWJVMWVAXGIP-XUVXKRRUSA-N 2 1 348.487 1.607 20 0 EDADMP [NH3+]CCOCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000646249069 453255156 /nfs/dbraw/zinc/25/51/56/453255156.db2.gz HSDGPBMWAQYZSB-QZTJIDSGSA-N 2 1 331.460 1.475 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000646264235 453269613 /nfs/dbraw/zinc/26/96/13/453269613.db2.gz MTDCJYLNUSGYFO-WZGPROSRSA-N 2 1 345.487 1.780 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000653106233 453287632 /nfs/dbraw/zinc/28/76/32/453287632.db2.gz YAMXFRFLNVEYBI-GJZGRUSLSA-N 2 1 326.872 1.338 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000666974713 453293168 /nfs/dbraw/zinc/29/31/68/453293168.db2.gz XJWXTRHXXGZTBP-HYVNUMGLSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653113241 453299446 /nfs/dbraw/zinc/29/94/46/453299446.db2.gz XOOZMOKLYPKTBY-XZKMEQPCSA-N 2 1 329.444 1.174 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653113783 453301082 /nfs/dbraw/zinc/30/10/82/453301082.db2.gz NTSFWPWRRYWMHO-DFEOGRTESA-N 2 1 335.492 1.335 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662577774 453305601 /nfs/dbraw/zinc/30/56/01/453305601.db2.gz FJIPDTAPJZIXTC-OAHLLOKOSA-N 2 1 333.480 1.581 20 0 EDADMP C[C@@H]1C[NH+](CCN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@@H](C)O1 ZINC000660439421 453310289 /nfs/dbraw/zinc/31/02/89/453310289.db2.gz ZJOIIXMTYQABGU-GVDBMIGSSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@@H]1C[NH+](CCN2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@@H](C)O1 ZINC000660439421 453310296 /nfs/dbraw/zinc/31/02/96/453310296.db2.gz ZJOIIXMTYQABGU-GVDBMIGSSA-N 2 1 325.497 1.281 20 0 EDADMP CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660470575 453328210 /nfs/dbraw/zinc/32/82/10/453328210.db2.gz XLBOSFXXTFTBCC-MRXNPFEDSA-N 2 1 335.448 1.425 20 0 EDADMP CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660470575 453328221 /nfs/dbraw/zinc/32/82/21/453328221.db2.gz XLBOSFXXTFTBCC-MRXNPFEDSA-N 2 1 335.448 1.425 20 0 EDADMP CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660470573 453329381 /nfs/dbraw/zinc/32/93/81/453329381.db2.gz XLBOSFXXTFTBCC-INIZCTEOSA-N 2 1 335.448 1.425 20 0 EDADMP CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660470573 453329387 /nfs/dbraw/zinc/32/93/87/453329387.db2.gz XLBOSFXXTFTBCC-INIZCTEOSA-N 2 1 335.448 1.425 20 0 EDADMP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[N@H+]1CCCC[C@H]1C ZINC000662679161 453398839 /nfs/dbraw/zinc/39/88/39/453398839.db2.gz KYUOSQYRQTWGBC-OAGGEKHMSA-N 2 1 348.495 1.585 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662681009 453401665 /nfs/dbraw/zinc/40/16/65/453401665.db2.gz RNNARXSLWUGJFN-LSDHHAIUSA-N 2 1 334.468 1.054 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662694768 453415445 /nfs/dbraw/zinc/41/54/45/453415445.db2.gz CJJNRKRDEHRKTD-PMPSAXMXSA-N 2 1 348.495 1.443 20 0 EDADMP CN(Cc1cnc[nH]1)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000660578391 453416547 /nfs/dbraw/zinc/41/65/47/453416547.db2.gz OWNPOQPJGSAADS-UHFFFAOYSA-N 2 1 345.447 1.734 20 0 EDADMP CCO[C@@H]1CN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C[C@H]1C[NH3+] ZINC000653247343 453431795 /nfs/dbraw/zinc/43/17/95/453431795.db2.gz XSVPALAEMIUREK-IAGOWNOFSA-N 2 1 346.475 1.429 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc2c(n1)CCC2 ZINC000667205279 453476208 /nfs/dbraw/zinc/47/62/08/453476208.db2.gz SGZUSQRLPFYMBO-AWEZNQCLSA-N 2 1 333.480 1.964 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc2c(n1)CCC2 ZINC000667205279 453476218 /nfs/dbraw/zinc/47/62/18/453476218.db2.gz SGZUSQRLPFYMBO-AWEZNQCLSA-N 2 1 333.480 1.964 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3[NH2+]CCC3(C)C)CC2)nc(C)[nH+]1 ZINC000662749187 453479613 /nfs/dbraw/zinc/47/96/13/453479613.db2.gz AFWQGAVJFSNCBC-MRXNPFEDSA-N 2 1 331.464 1.567 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(Cl)c1 ZINC000662753817 453490266 /nfs/dbraw/zinc/49/02/66/453490266.db2.gz XEDVAEIBYTWQAO-OAHLLOKOSA-N 2 1 349.822 1.213 20 0 EDADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1nnnn1-c1ccccc1)C2 ZINC000660653785 453490865 /nfs/dbraw/zinc/49/08/65/453490865.db2.gz ATOVRDSRXRJXOJ-GOSISDBHSA-N 2 1 326.448 1.623 20 0 EDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1nnnn1-c1ccccc1)C2 ZINC000660653785 453490867 /nfs/dbraw/zinc/49/08/67/453490867.db2.gz ATOVRDSRXRJXOJ-GOSISDBHSA-N 2 1 326.448 1.623 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000660653785 453490871 /nfs/dbraw/zinc/49/08/71/453490871.db2.gz ATOVRDSRXRJXOJ-GOSISDBHSA-N 2 1 326.448 1.623 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000660653785 453490876 /nfs/dbraw/zinc/49/08/76/453490876.db2.gz ATOVRDSRXRJXOJ-GOSISDBHSA-N 2 1 326.448 1.623 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662755398 453491734 /nfs/dbraw/zinc/49/17/34/453491734.db2.gz APZHKMJRZHAJOK-LJQANCHMSA-N 2 1 344.503 1.755 20 0 EDADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000660693183 453518977 /nfs/dbraw/zinc/51/89/77/453518977.db2.gz CBIWVNJVRNVQQS-UHFFFAOYSA-N 2 1 325.497 1.462 20 0 EDADMP CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000667293942 453540640 /nfs/dbraw/zinc/54/06/40/453540640.db2.gz UATVAZFHLQXIEW-GOSISDBHSA-N 2 1 347.507 1.006 20 0 EDADMP CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000667293942 453540645 /nfs/dbraw/zinc/54/06/45/453540645.db2.gz UATVAZFHLQXIEW-GOSISDBHSA-N 2 1 347.507 1.006 20 0 EDADMP CCC[C@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000662825525 453553893 /nfs/dbraw/zinc/55/38/93/453553893.db2.gz JNBMYCMRHIPHDC-CABCVRRESA-N 2 1 349.479 1.060 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(C2CC[NH2+]CC2)no1 ZINC000662834423 453561348 /nfs/dbraw/zinc/56/13/48/453561348.db2.gz HGYKSKVPMBAAJD-GDBMZVCRSA-N 2 1 332.448 1.888 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000646690830 453562345 /nfs/dbraw/zinc/56/23/45/453562345.db2.gz WDJPWCYXPWCMIP-MRXNPFEDSA-N 2 1 336.505 1.915 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[N@H+]1C ZINC000659036715 453592498 /nfs/dbraw/zinc/59/24/98/453592498.db2.gz SUNSFMBTDMYKRS-KBRIMQKVSA-N 2 1 332.448 1.952 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000662941523 453617208 /nfs/dbraw/zinc/61/72/08/453617208.db2.gz WXXGWFFFGYTCSA-KRWDZBQOSA-N 2 1 332.492 1.436 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000662941523 453617210 /nfs/dbraw/zinc/61/72/10/453617210.db2.gz WXXGWFFFGYTCSA-KRWDZBQOSA-N 2 1 332.492 1.436 20 0 EDADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291255 453637825 /nfs/dbraw/zinc/63/78/25/453637825.db2.gz YJYYMIRIBYXPSQ-LBPRGKRZSA-N 2 1 329.404 1.456 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000659112879 453643713 /nfs/dbraw/zinc/64/37/13/453643713.db2.gz SOLSKUPYNUQVMD-KGLIPLIRSA-N 2 1 346.475 1.709 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000665355089 453663587 /nfs/dbraw/zinc/66/35/87/453663587.db2.gz JFQJLFWEZVIHOE-OAHLLOKOSA-N 2 1 327.517 1.042 20 0 EDADMP O=C(NCC[NH2+]C1CC1)c1sc2c(c1Br)C[NH2+]C2 ZINC000659295654 453706233 /nfs/dbraw/zinc/70/62/33/453706233.db2.gz XGDOCHUBRHRNEO-UHFFFAOYSA-N 2 1 330.251 1.596 20 0 EDADMP O=C1NCCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000657284989 453758315 /nfs/dbraw/zinc/75/83/15/453758315.db2.gz YBIMHBFIRDOKGV-INIZCTEOSA-N 2 1 333.451 1.948 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000663362678 453779154 /nfs/dbraw/zinc/77/91/54/453779154.db2.gz AWCRURUNXNIVKM-ROUUACIJSA-N 2 1 334.460 1.578 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COCc1cccs1 ZINC000663365450 453781038 /nfs/dbraw/zinc/78/10/38/453781038.db2.gz ZVJYCBABHKNEIR-JKSUJKDBSA-N 2 1 340.489 1.469 20 0 EDADMP c1nc(N[C@@H]2CC[NH+](C3CC3)C2)cc(N[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000663425753 453794674 /nfs/dbraw/zinc/79/46/74/453794674.db2.gz SDEHSIVJTJLOGD-ZIAGYGMSSA-N 2 1 328.464 1.774 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000663448544 453801272 /nfs/dbraw/zinc/80/12/72/453801272.db2.gz ZWNORNCKMHHQMX-MSOLQXFVSA-N 2 1 332.492 1.943 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000683369924 486698967 /nfs/dbraw/zinc/69/89/67/486698967.db2.gz UHGLWSBFHAHKIY-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000683369924 486698973 /nfs/dbraw/zinc/69/89/73/486698973.db2.gz UHGLWSBFHAHKIY-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000683369924 486698977 /nfs/dbraw/zinc/69/89/77/486698977.db2.gz UHGLWSBFHAHKIY-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000676245131 486705146 /nfs/dbraw/zinc/70/51/46/486705146.db2.gz FKWMPYRHRHWPRE-ZACQAIPSSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000676245131 486705151 /nfs/dbraw/zinc/70/51/51/486705151.db2.gz FKWMPYRHRHWPRE-ZACQAIPSSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000676245131 486705154 /nfs/dbraw/zinc/70/51/54/486705154.db2.gz FKWMPYRHRHWPRE-ZACQAIPSSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676245131 486705157 /nfs/dbraw/zinc/70/51/57/486705157.db2.gz FKWMPYRHRHWPRE-ZACQAIPSSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676245131 486705162 /nfs/dbraw/zinc/70/51/62/486705162.db2.gz FKWMPYRHRHWPRE-ZACQAIPSSA-N 2 1 340.512 1.659 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000672688210 486763382 /nfs/dbraw/zinc/76/33/82/486763382.db2.gz UPMKEYSIYOMGNB-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000672688210 486763387 /nfs/dbraw/zinc/76/33/87/486763387.db2.gz UPMKEYSIYOMGNB-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000672688210 486763389 /nfs/dbraw/zinc/76/33/89/486763389.db2.gz UPMKEYSIYOMGNB-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)[NH+](C)C ZINC000677290646 487034465 /nfs/dbraw/zinc/03/44/65/487034465.db2.gz ONBYVTLZTCTBHU-CGTJXYLNSA-N 2 1 338.540 1.732 20 0 EDADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673674886 487088676 /nfs/dbraw/zinc/08/86/76/487088676.db2.gz HZOGZVUNLFUCEV-SFHVURJKSA-N 2 1 346.475 1.009 20 0 EDADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673674886 487088678 /nfs/dbraw/zinc/08/86/78/487088678.db2.gz HZOGZVUNLFUCEV-SFHVURJKSA-N 2 1 346.475 1.009 20 0 EDADMP COC1CC[NH+](CCNC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000674329195 487238489 /nfs/dbraw/zinc/23/84/89/487238489.db2.gz SEBZEWJBOINLQS-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP Nc1nc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nc2sc3c(c21)CCCC3 ZINC000678514569 487325113 /nfs/dbraw/zinc/32/51/13/487325113.db2.gz OTQZQBOIQUOKKN-VXGBXAGGSA-N 2 1 343.500 1.846 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679499753 487432202 /nfs/dbraw/zinc/43/22/02/487432202.db2.gz GGHVQCVJVDPBMD-UHFFFAOYSA-N 2 1 344.419 1.054 20 0 EDADMP CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000675771425 487442865 /nfs/dbraw/zinc/44/28/65/487442865.db2.gz QTCWIZZSETUMLK-MRXNPFEDSA-N 2 1 347.459 1.385 20 0 EDADMP C[NH+](C)CCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000683198908 487459414 /nfs/dbraw/zinc/45/94/14/487459414.db2.gz UQSGOHJCCXFQSR-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000668942824 485476345 /nfs/dbraw/zinc/47/63/45/485476345.db2.gz OLTPJNCBYHKKHJ-CABCVRRESA-N 2 1 340.512 1.022 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@@H](C)O1 ZINC000668962996 485499101 /nfs/dbraw/zinc/49/91/01/485499101.db2.gz KLTMQBRPSAGRPV-WCVJEAGWSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000669528899 485504259 /nfs/dbraw/zinc/50/42/59/485504259.db2.gz PUXQFOCXUSZJPO-ONIAQPFYSA-N 2 1 346.475 1.407 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324187560 485509566 /nfs/dbraw/zinc/50/95/66/485509566.db2.gz JMCCRTQTXDELPB-RHSMWYFYSA-N 2 1 327.428 1.747 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324187560 485509573 /nfs/dbraw/zinc/50/95/73/485509573.db2.gz JMCCRTQTXDELPB-RHSMWYFYSA-N 2 1 327.428 1.747 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c(N2CCCC2)[nH+]1 ZINC000669555502 485556129 /nfs/dbraw/zinc/55/61/29/485556129.db2.gz HACRFRNPWOPVLN-LSDHHAIUSA-N 2 1 331.464 1.882 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000669021246 485568232 /nfs/dbraw/zinc/56/82/32/485568232.db2.gz MDNKXXZERWDIBR-BZUAXINKSA-N 2 1 326.485 1.112 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[C@H]1[NH3+] ZINC000669570886 485592264 /nfs/dbraw/zinc/59/22/64/485592264.db2.gz HVRLZPSLAGOGPP-BZUAXINKSA-N 2 1 326.485 1.256 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn2c(n1)CCCC2 ZINC000337845555 485691007 /nfs/dbraw/zinc/69/10/07/485691007.db2.gz OLOKBKGSTWGARU-INIZCTEOSA-N 2 1 347.507 1.708 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000668541057 485869078 /nfs/dbraw/zinc/86/90/78/485869078.db2.gz IOQKLSPXJRBWPN-PBHICJAKSA-N 2 1 325.416 1.676 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669366063 486013644 /nfs/dbraw/zinc/01/36/44/486013644.db2.gz VAAXHUJIARLCAC-YVSFHVDLSA-N 2 1 340.512 1.502 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669388794 486024615 /nfs/dbraw/zinc/02/46/15/486024615.db2.gz QLHBNOZVFVVXAR-DLBZAZTESA-N 2 1 340.512 1.376 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCOCC2)[C@H](C)C1 ZINC000678601658 486044877 /nfs/dbraw/zinc/04/48/77/486044877.db2.gz BPVSRIASYDOPQC-IAGOWNOFSA-N 2 1 328.497 1.909 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCC[NH2+]C1 ZINC000669420239 486139532 /nfs/dbraw/zinc/13/95/32/486139532.db2.gz FXKMBMGPNPJEMH-ROUUACIJSA-N 2 1 330.476 1.950 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000668809922 486219108 /nfs/dbraw/zinc/21/91/08/486219108.db2.gz YBMIRNTZGCDOIV-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1OC ZINC000669508818 486291957 /nfs/dbraw/zinc/29/19/57/486291957.db2.gz QDNYTBZHCFUGRX-RHSMWYFYSA-N 2 1 329.400 1.520 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCSC1 ZINC000660826188 486645039 /nfs/dbraw/zinc/64/50/39/486645039.db2.gz NRSYSIKRIWAEPE-XJKSGUPXSA-N 2 1 328.526 1.596 20 0 EDADMP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000073433942 491008776 /nfs/dbraw/zinc/00/87/76/491008776.db2.gz UUJMYBOEELBBQE-GOSISDBHSA-N 2 1 330.476 1.258 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)C3CCC([NH3+])CC3)CC2)cn1 ZINC000648153019 500678211 /nfs/dbraw/zinc/67/82/11/500678211.db2.gz ZEQIIERAORKCDO-UHFFFAOYSA-N 2 1 347.507 1.845 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)C3CCC([NH3+])CC3)CC2)cn1 ZINC000648153019 500678216 /nfs/dbraw/zinc/67/82/16/500678216.db2.gz ZEQIIERAORKCDO-UHFFFAOYSA-N 2 1 347.507 1.845 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000125625765 534900499 /nfs/dbraw/zinc/90/04/99/534900499.db2.gz DFKVCFSKKSTLEJ-INIZCTEOSA-N 2 1 334.464 1.513 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000119201415 536504047 /nfs/dbraw/zinc/50/40/47/536504047.db2.gz XELRZGVYWBGALT-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000119201415 536504049 /nfs/dbraw/zinc/50/40/49/536504049.db2.gz XELRZGVYWBGALT-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000119201415 536504056 /nfs/dbraw/zinc/50/40/56/536504056.db2.gz XELRZGVYWBGALT-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000124864854 535138772 /nfs/dbraw/zinc/13/87/72/535138772.db2.gz AQXSPUUQCFNFEO-OAHLLOKOSA-N 2 1 336.484 1.544 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@]1(CC)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000119589836 535143976 /nfs/dbraw/zinc/14/39/76/535143976.db2.gz OYYBEVHLGOALJC-WMZOPIPTSA-N 2 1 325.497 1.629 20 0 EDADMP CNC(=O)NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248402892 536324007 /nfs/dbraw/zinc/32/40/07/536324007.db2.gz WNBQLTZJEJYQPS-HALDLXJZSA-N 2 1 332.448 1.188 20 0 EDADMP CNC(=O)NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248402892 536324008 /nfs/dbraw/zinc/32/40/08/536324008.db2.gz WNBQLTZJEJYQPS-HALDLXJZSA-N 2 1 332.448 1.188 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262220388 536403495 /nfs/dbraw/zinc/40/34/95/536403495.db2.gz JLUDZTJHOYQCTA-BBWFWOEESA-N 2 1 333.480 1.056 20 0 EDADMP COCCOc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000352723991 536621462 /nfs/dbraw/zinc/62/14/62/536621462.db2.gz XEEPDTVLWZHPMF-QGZVFWFLSA-N 2 1 349.475 1.200 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)[NH+](C)C1 ZINC000347097682 536774949 /nfs/dbraw/zinc/77/49/49/536774949.db2.gz QPBRSSRPGPIZOO-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)[N@H+](C)C1 ZINC000347097682 536774952 /nfs/dbraw/zinc/77/49/52/536774952.db2.gz QPBRSSRPGPIZOO-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)[N@@H+](C)C1 ZINC000347097682 536774956 /nfs/dbraw/zinc/77/49/56/536774956.db2.gz QPBRSSRPGPIZOO-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](CCN2CCOCC2)CC1 ZINC000347585646 536778063 /nfs/dbraw/zinc/77/80/63/536778063.db2.gz HSYNYLUEJMZXQF-UHFFFAOYSA-N 2 1 327.513 1.389 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+]1CCCCC1 ZINC000741212286 579401329 /nfs/dbraw/zinc/40/13/29/579401329.db2.gz ICGAPMPSSCJRJZ-HKUYNNGSSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+]1CCCCC1 ZINC000741212286 579401330 /nfs/dbraw/zinc/40/13/30/579401330.db2.gz ICGAPMPSSCJRJZ-HKUYNNGSSA-N 2 1 345.487 1.878 20 0 EDADMP NC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000743851396 579492454 /nfs/dbraw/zinc/49/24/54/579492454.db2.gz GCFMBMPKRJSNMG-KRWDZBQOSA-N 2 1 331.460 1.859 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000743851396 579492455 /nfs/dbraw/zinc/49/24/55/579492455.db2.gz GCFMBMPKRJSNMG-KRWDZBQOSA-N 2 1 331.460 1.859 20 0 EDADMP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCCCCCCO ZINC000743848605 578282603 /nfs/dbraw/zinc/28/26/03/578282603.db2.gz ISZICBQGQVFXSO-ZWKOTPCHSA-N 2 1 327.513 1.266 20 0 EDADMP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCCCCCO ZINC000743848605 578282604 /nfs/dbraw/zinc/28/26/04/578282604.db2.gz ISZICBQGQVFXSO-ZWKOTPCHSA-N 2 1 327.513 1.266 20 0 EDADMP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCCCCCO ZINC000743848605 578282605 /nfs/dbraw/zinc/28/26/05/578282605.db2.gz ISZICBQGQVFXSO-ZWKOTPCHSA-N 2 1 327.513 1.266 20 0 EDADMP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCCCCCCO ZINC000743848605 578282606 /nfs/dbraw/zinc/28/26/06/578282606.db2.gz ISZICBQGQVFXSO-ZWKOTPCHSA-N 2 1 327.513 1.266 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCC[NH+]1CCOC ZINC000727703374 578537903 /nfs/dbraw/zinc/53/79/03/578537903.db2.gz OWANHQSHRXQYSZ-CABCVRRESA-N 2 1 328.526 1.046 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000727703374 578537904 /nfs/dbraw/zinc/53/79/04/578537904.db2.gz OWANHQSHRXQYSZ-CABCVRRESA-N 2 1 328.526 1.046 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCC[N@H+]1CCOC ZINC000727703374 578537905 /nfs/dbraw/zinc/53/79/05/578537905.db2.gz OWANHQSHRXQYSZ-CABCVRRESA-N 2 1 328.526 1.046 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000729491951 578577199 /nfs/dbraw/zinc/57/71/99/578577199.db2.gz LDXUQRUFYUKHRW-OAHLLOKOSA-N 2 1 331.464 1.512 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CCCC[NH+]1CCCC1 ZINC000729689815 578588127 /nfs/dbraw/zinc/58/81/27/578588127.db2.gz QSZZWWOZNCPUCW-UHFFFAOYSA-N 2 1 338.540 1.737 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CCCC[NH+]1CCCC1 ZINC000729689815 578588129 /nfs/dbraw/zinc/58/81/29/578588129.db2.gz QSZZWWOZNCPUCW-UHFFFAOYSA-N 2 1 338.540 1.737 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000749334280 579722113 /nfs/dbraw/zinc/72/21/13/579722113.db2.gz DKBPDWZCJUTTPJ-OAGGEKHMSA-N 2 1 341.496 1.678 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000749334280 579722116 /nfs/dbraw/zinc/72/21/16/579722116.db2.gz DKBPDWZCJUTTPJ-OAGGEKHMSA-N 2 1 341.496 1.678 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCSCC1 ZINC000750879405 579785487 /nfs/dbraw/zinc/78/54/87/579785487.db2.gz RIFDDGDJXXHUBB-GDBMZVCRSA-N 2 1 341.521 1.183 20 0 EDADMP C[NH+](C)CCN(Cc1cccs1)C(=O)CC[NH+]1CCOCC1 ZINC000752783306 579865692 /nfs/dbraw/zinc/86/56/92/579865692.db2.gz KGWABEMAAKHSNW-UHFFFAOYSA-N 2 1 325.478 1.361 20 0 EDADMP COC(=O)C1=C(C)O[C@@H](C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000778221828 580459109 /nfs/dbraw/zinc/45/91/09/580459109.db2.gz JYHBVGLUMNCVEL-MRXNPFEDSA-N 2 1 339.480 1.180 20 0 EDADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)CCO2 ZINC000765797280 580151571 /nfs/dbraw/zinc/15/15/71/580151571.db2.gz NUUQSCVVHMPSDP-YOEHRIQHSA-N 2 1 331.460 1.860 20 0 EDADMP c1cc(N2CCOCC2)nc(NC2CC[NH+](C[C@H]3CCCO3)CC2)[nH+]1 ZINC000770445845 580260639 /nfs/dbraw/zinc/26/06/39/580260639.db2.gz ZLBBZDOUERLFRE-MRXNPFEDSA-N 2 1 347.463 1.369 20 0 EDADMP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC[S@](C)=O)CC1 ZINC000771147845 580280884 /nfs/dbraw/zinc/28/08/84/580280884.db2.gz SMGIEQCELHNOKA-QHCPKHFHSA-N 2 1 333.457 1.744 20 0 EDADMP C[NH+]1CCN([C@@H](C[NH2+]C2CCN(C=O)CC2)c2cccs2)CC1 ZINC000774110538 580354183 /nfs/dbraw/zinc/35/41/83/580354183.db2.gz INZCFUVOVJRESA-INIZCTEOSA-N 2 1 336.505 1.247 20 0 EDADMP C[C@H](CNC(=O)N(C)CCC[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000779335602 580483731 /nfs/dbraw/zinc/48/37/31/580483731.db2.gz FQEUIBOTNXFCGP-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000792978175 580832834 /nfs/dbraw/zinc/83/28/34/580832834.db2.gz RTMUVMBRIRONOS-OWCLPIDISA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000792978175 580832835 /nfs/dbraw/zinc/83/28/35/580832835.db2.gz RTMUVMBRIRONOS-OWCLPIDISA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000792978175 580832836 /nfs/dbraw/zinc/83/28/36/580832836.db2.gz RTMUVMBRIRONOS-OWCLPIDISA-N 2 1 341.496 1.678 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000792978171 580832852 /nfs/dbraw/zinc/83/28/52/580832852.db2.gz RTMUVMBRIRONOS-BZUAXINKSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000792978171 580832853 /nfs/dbraw/zinc/83/28/53/580832853.db2.gz RTMUVMBRIRONOS-BZUAXINKSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000792978171 580832854 /nfs/dbraw/zinc/83/28/54/580832854.db2.gz RTMUVMBRIRONOS-BZUAXINKSA-N 2 1 341.496 1.678 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C[C@@H]2C1 ZINC000793928198 580860735 /nfs/dbraw/zinc/86/07/35/580860735.db2.gz JBAPVIXYRSMIKB-SJORKVTESA-N 2 1 335.492 1.432 20 0 EDADMP COCC[NH+]1CCC([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000798273021 580992806 /nfs/dbraw/zinc/99/28/06/580992806.db2.gz NCNQFOUYZFDYJF-UHFFFAOYSA-N 2 1 327.469 1.554 20 0 EDADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC(=O)NC1=O ZINC000799149301 581019224 /nfs/dbraw/zinc/01/92/24/581019224.db2.gz HLAJCLBOKORWTJ-MRXNPFEDSA-N 2 1 330.432 1.425 20 0 EDADMP CCc1nn(C)c(Cl)c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000799346479 581026066 /nfs/dbraw/zinc/02/60/66/581026066.db2.gz LUXTYNTVHQNPGI-UHFFFAOYSA-N 2 1 327.904 1.752 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)CCC(F)(F)F ZINC000891857293 590657877 /nfs/dbraw/zinc/65/78/77/590657877.db2.gz UJPRTHPXSUJUCI-STQMWFEESA-N 2 1 336.402 1.797 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891865416 590662029 /nfs/dbraw/zinc/66/20/29/590662029.db2.gz OVSPWGBFGFFSRA-CHWSQXEVSA-N 2 1 332.439 1.651 20 0 EDADMP Cc1cc(N)nc(N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000893285477 590754338 /nfs/dbraw/zinc/75/43/38/590754338.db2.gz OGLYZQVQJDBRQM-SFHVURJKSA-N 2 1 327.432 1.440 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892170620 590842292 /nfs/dbraw/zinc/84/22/92/590842292.db2.gz VCVBGOLOHBMHHF-ROUUACIJSA-N 2 1 346.475 1.247 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000892186707 590853059 /nfs/dbraw/zinc/85/30/59/590853059.db2.gz BKTJHNMRACIOGP-ZDRJDWQYSA-N 2 1 328.460 1.860 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000892186707 590853064 /nfs/dbraw/zinc/85/30/64/590853064.db2.gz BKTJHNMRACIOGP-ZDRJDWQYSA-N 2 1 328.460 1.860 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[NH+]1CCCCC1 ZINC000892204055 590864012 /nfs/dbraw/zinc/86/40/12/590864012.db2.gz HTNFEHLTHFKVJE-ZACQAIPSSA-N 2 1 338.496 1.101 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000893606040 591004509 /nfs/dbraw/zinc/00/45/09/591004509.db2.gz LWMVCJDHXZKLAE-QZTJIDSGSA-N 2 1 341.496 1.680 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000893606040 591004512 /nfs/dbraw/zinc/00/45/12/591004512.db2.gz LWMVCJDHXZKLAE-QZTJIDSGSA-N 2 1 341.496 1.680 20 0 EDADMP C[NH+]1CCN([C@H](C[NH2+]C[C@H]2COC(C)(C)O2)c2cccs2)CC1 ZINC000892421103 591020957 /nfs/dbraw/zinc/02/09/57/591020957.db2.gz CGBXFMQOMGXHTR-LSDHHAIUSA-N 2 1 339.505 1.778 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](C)O1 ZINC000892436859 591027870 /nfs/dbraw/zinc/02/78/70/591027870.db2.gz DIVUYDNARGOHEO-LDKKBFSKSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](C)O1 ZINC000892436859 591027874 /nfs/dbraw/zinc/02/78/74/591027874.db2.gz DIVUYDNARGOHEO-LDKKBFSKSA-N 2 1 326.485 1.255 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892484147 591044048 /nfs/dbraw/zinc/04/40/48/591044048.db2.gz ZONIUBYTKAXDLA-MRXNPFEDSA-N 2 1 341.544 1.290 20 0 EDADMP CN(CCCN(C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)CC[NH+](C)C ZINC000892484147 591044052 /nfs/dbraw/zinc/04/40/52/591044052.db2.gz ZONIUBYTKAXDLA-MRXNPFEDSA-N 2 1 341.544 1.290 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892565803 591074783 /nfs/dbraw/zinc/07/47/83/591074783.db2.gz KVDGXSDIYSUVPW-ZHALLVOQSA-N 2 1 346.475 1.002 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000892566732 591075137 /nfs/dbraw/zinc/07/51/37/591075137.db2.gz MRSOJXBWOMFTBX-KBAYOESNSA-N 2 1 330.476 1.887 20 0 EDADMP C[C@@H](CNC(=O)N(C)C1(C[NH3+])CCCCC1)CN1CC[NH+](C)CC1 ZINC000891604011 591145120 /nfs/dbraw/zinc/14/51/20/591145120.db2.gz VBVGVTLGASCNFT-INIZCTEOSA-N 2 1 339.528 1.173 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCC3)C[C@H]2C1 ZINC000891647885 591165772 /nfs/dbraw/zinc/16/57/72/591165772.db2.gz IEWVKZFDEKWZLH-KDURUIRLSA-N 2 1 342.487 1.985 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000892835729 591197737 /nfs/dbraw/zinc/19/77/37/591197737.db2.gz DCAHNNUURIQQHZ-INIZCTEOSA-N 2 1 338.496 1.415 20 0 EDADMP C[C@H](C[NH2+]Cc1cn(Cc2ccccc2)nn1)CN1CC[NH+](C)CC1 ZINC000892929500 591228809 /nfs/dbraw/zinc/22/88/09/591228809.db2.gz WBDHAJVQUROJSX-QGZVFWFLSA-N 2 1 342.491 1.300 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892951732 591237569 /nfs/dbraw/zinc/23/75/69/591237569.db2.gz QSAYBTBQDPIJBV-XHSDSOJGSA-N 2 1 330.444 1.447 20 0 EDADMP C[C@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)[N@H+]1CCc2sccc2C1 ZINC000895675941 591244871 /nfs/dbraw/zinc/24/48/71/591244871.db2.gz WIALHXINEOHVJJ-CJNGLKHVSA-N 2 1 349.500 1.332 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895850790 591287863 /nfs/dbraw/zinc/28/78/63/591287863.db2.gz KYWJSKPYFUAXAP-BRWVUGGUSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895855458 591288562 /nfs/dbraw/zinc/28/85/62/591288562.db2.gz SBNXOGLIWIYZGW-XHSDSOJGSA-N 2 1 337.508 1.580 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c2c(nn1C)CCC2 ZINC000894457074 591316704 /nfs/dbraw/zinc/31/67/04/591316704.db2.gz WVKKUTNWBDHWST-INIZCTEOSA-N 2 1 333.524 1.757 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896024760 591323818 /nfs/dbraw/zinc/32/38/18/591323818.db2.gz VFBRIBSGSNKIGU-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896375390 591442646 /nfs/dbraw/zinc/44/26/46/591442646.db2.gz IJCRIGFGTLZWFU-RBUKOAKNSA-N 2 1 343.471 1.488 20 0 EDADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000897454078 591459790 /nfs/dbraw/zinc/45/97/90/591459790.db2.gz ACTFOLQVVRSLTB-YJBOKZPZSA-N 2 1 348.491 1.939 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000897460427 591464374 /nfs/dbraw/zinc/46/43/74/591464374.db2.gz HHSGXZBELQQCLV-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000897469137 591470633 /nfs/dbraw/zinc/47/06/33/591470633.db2.gz DTWPXHNUCSPXTR-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897615172 591588735 /nfs/dbraw/zinc/58/87/35/591588735.db2.gz QWRBQZVHFGSJAU-PKOBYXMFSA-N 2 1 343.471 1.345 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897640746 591602527 /nfs/dbraw/zinc/60/25/27/591602527.db2.gz QMYDOZAWOGPGKI-ROUUACIJSA-N 2 1 335.492 1.620 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897752407 591643627 /nfs/dbraw/zinc/64/36/27/591643627.db2.gz ZWQVOUHBGSCPQM-INIZCTEOSA-N 2 1 335.448 1.281 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[NH+]1CCSCC1 ZINC000895268915 591690053 /nfs/dbraw/zinc/69/00/53/591690053.db2.gz RMPPCHGMJQRIDF-CABCVRRESA-N 2 1 334.489 1.556 20 0 EDADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000895380646 591737181 /nfs/dbraw/zinc/73/71/81/591737181.db2.gz PNWJKBVHLCRMTP-WMLDXEAASA-N 2 1 339.505 1.886 20 0 EDADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000895380646 591737184 /nfs/dbraw/zinc/73/71/84/591737184.db2.gz PNWJKBVHLCRMTP-WMLDXEAASA-N 2 1 339.505 1.886 20 0 EDADMP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000897105506 591742548 /nfs/dbraw/zinc/74/25/48/591742548.db2.gz MGWMQGXHGRJQAW-QGTPRVQTSA-N 2 1 333.476 1.182 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(CCO)cc3)cn2)CC1 ZINC000898172322 591811376 /nfs/dbraw/zinc/81/13/76/591811376.db2.gz BPPAQTZJVULYGV-UHFFFAOYSA-N 2 1 341.459 1.053 20 0 EDADMP COCC[NH+](CCOC)C1CN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000898254253 591838450 /nfs/dbraw/zinc/83/84/50/591838450.db2.gz HXZKDSHDOWDXJA-UHFFFAOYSA-N 2 1 349.475 1.167 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000897335983 591857151 /nfs/dbraw/zinc/85/71/51/591857151.db2.gz LPBBEMBSUMOUOY-BZSNNMDCSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000897335983 591857158 /nfs/dbraw/zinc/85/71/58/591857158.db2.gz LPBBEMBSUMOUOY-BZSNNMDCSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000897335983 591857162 /nfs/dbraw/zinc/85/71/62/591857162.db2.gz LPBBEMBSUMOUOY-BZSNNMDCSA-N 2 1 331.460 1.080 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000900012864 591862711 /nfs/dbraw/zinc/86/27/11/591862711.db2.gz DLBXSKDAXXSWGD-ZHALLVOQSA-N 2 1 331.460 1.395 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000900012864 591862712 /nfs/dbraw/zinc/86/27/12/591862712.db2.gz DLBXSKDAXXSWGD-ZHALLVOQSA-N 2 1 331.460 1.395 20 0 EDADMP O=c1[nH]ncc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1Cl ZINC000898366989 591892619 /nfs/dbraw/zinc/89/26/19/591892619.db2.gz JOVKPXWWEVZEKZ-FRRDWIJNSA-N 2 1 337.855 1.631 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC[NH+](C)[C@@H](C)CC)C1 ZINC000900524220 592036464 /nfs/dbraw/zinc/03/64/64/592036464.db2.gz XGDDEBXNBRXXJH-GJZGRUSLSA-N 2 1 327.469 1.108 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC[NH+](C)[C@@H](C)CC)C1 ZINC000900524220 592036466 /nfs/dbraw/zinc/03/64/66/592036466.db2.gz XGDDEBXNBRXXJH-GJZGRUSLSA-N 2 1 327.469 1.108 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCC[N@H+](C)[C@@H](C)CC)C1 ZINC000900524220 592036469 /nfs/dbraw/zinc/03/64/69/592036469.db2.gz XGDDEBXNBRXXJH-GJZGRUSLSA-N 2 1 327.469 1.108 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCC[N@@H+](C)[C@@H](C)CC)C1 ZINC000900524220 592036472 /nfs/dbraw/zinc/03/64/72/592036472.db2.gz XGDDEBXNBRXXJH-GJZGRUSLSA-N 2 1 327.469 1.108 20 0 EDADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900530699 592048353 /nfs/dbraw/zinc/04/83/53/592048353.db2.gz ZULBVZCWALURBG-PKOBYXMFSA-N 2 1 333.476 1.552 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](CC)C[NH+]2CCCC2)C1 ZINC000900731445 592111311 /nfs/dbraw/zinc/11/13/11/592111311.db2.gz LVGWHTXHOWHTJZ-HZPDHXFCSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](CC)C[NH+]2CCCC2)C1 ZINC000900731445 592111312 /nfs/dbraw/zinc/11/13/12/592111312.db2.gz LVGWHTXHOWHTJZ-HZPDHXFCSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)C1(C)CC([NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000903112454 592123008 /nfs/dbraw/zinc/12/30/08/592123008.db2.gz NHOLBEMEWVEJTD-UEBWMDNZSA-N 2 1 338.492 1.788 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc3n(n1)CCC3)C2 ZINC000903113288 592123038 /nfs/dbraw/zinc/12/30/38/592123038.db2.gz VMJWDJYCHZCSFR-LDFOPSEGSA-N 2 1 332.492 1.960 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)C2CCC([NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000900825429 592138491 /nfs/dbraw/zinc/13/84/91/592138491.db2.gz VAFUIAXTWQTYFF-FCCDEINASA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000900826660 592138972 /nfs/dbraw/zinc/13/89/72/592138972.db2.gz MTKFIWCWYNKUCS-INIZCTEOSA-N 2 1 326.529 1.495 20 0 EDADMP CCC[NH+]1CCC([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)CC1 ZINC000903241088 592142765 /nfs/dbraw/zinc/14/27/65/592142765.db2.gz IVIOBZCZLXIDAO-UHFFFAOYSA-N 2 1 348.369 1.475 20 0 EDADMP CC[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000903343403 592156036 /nfs/dbraw/zinc/15/60/36/592156036.db2.gz PKKFRLJASPNPCF-FUHWJXTLSA-N 2 1 325.497 1.330 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000900889674 592158410 /nfs/dbraw/zinc/15/84/10/592158410.db2.gz IVRSYDNJAOUZNQ-AOCRQIFASA-N 2 1 337.508 1.678 20 0 EDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000903463620 592172177 /nfs/dbraw/zinc/17/21/77/592172177.db2.gz GYTHGAXQWRVOSE-VVLHAWIVSA-N 2 1 327.428 1.231 20 0 EDADMP C[C@H](c1ncccn1)[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000903464254 592172350 /nfs/dbraw/zinc/17/23/50/592172350.db2.gz FGURAUSBGHKFSZ-CABCVRRESA-N 2 1 341.463 1.550 20 0 EDADMP C[C@H](c1ncccn1)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000903464254 592172351 /nfs/dbraw/zinc/17/23/51/592172351.db2.gz FGURAUSBGHKFSZ-CABCVRRESA-N 2 1 341.463 1.550 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cn3cc(Cl)ccc3n1)C2 ZINC000903493820 592186266 /nfs/dbraw/zinc/18/62/66/592186266.db2.gz XCADLDOCOMWOGP-PPHDSNJXSA-N 2 1 348.834 1.700 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)C2 ZINC000903495077 592186823 /nfs/dbraw/zinc/18/68/23/592186823.db2.gz UCBNYNYUHOBWML-KSFQGOMNSA-N 2 1 336.354 1.309 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@@H](C)C1 ZINC000906657631 592239291 /nfs/dbraw/zinc/23/92/91/592239291.db2.gz NGFBCLPEJJXKBM-BBRMVZONSA-N 2 1 346.475 1.664 20 0 EDADMP COc1cc2c(cc1OC)C[N@@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903718866 592280538 /nfs/dbraw/zinc/28/05/38/592280538.db2.gz SLTVKJWZPHDORL-LPHOPBHVSA-N 2 1 332.444 1.831 20 0 EDADMP Fc1ccc(OCC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000903751673 592295458 /nfs/dbraw/zinc/29/54/58/592295458.db2.gz LNWUZOVCHRXJSB-ZDUSSCGKSA-N 2 1 327.831 1.837 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904629412 592299170 /nfs/dbraw/zinc/29/91/70/592299170.db2.gz VNUNFFJKGZJREK-UHFFFAOYSA-N 2 1 333.480 1.683 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](Cc3ccccc3CF)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000903760675 592306316 /nfs/dbraw/zinc/30/63/16/592306316.db2.gz JKRPDZKHAOUOOV-MSOLQXFVSA-N 2 1 346.450 1.876 20 0 EDADMP c1ccc(CN2CC[C@H]3C[N@H+](C[C@H]4C[C@@]5(CC[NH2+]C5)CO4)C[C@H]32)cc1 ZINC000903763009 592307561 /nfs/dbraw/zinc/30/75/61/592307561.db2.gz GSUSHWNMOHOZCU-DOIPELPJSA-N 2 1 341.499 1.961 20 0 EDADMP c1ccc(C[N@H+]2CC[C@H]3CN(C[C@H]4C[C@@]5(CC[NH2+]C5)CO4)C[C@H]32)cc1 ZINC000903763009 592307565 /nfs/dbraw/zinc/30/75/65/592307565.db2.gz GSUSHWNMOHOZCU-DOIPELPJSA-N 2 1 341.499 1.961 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@H]3CN(C[C@H]4C[C@@]5(CC[NH2+]C5)CO4)C[C@H]32)cc1 ZINC000903763009 592307569 /nfs/dbraw/zinc/30/75/69/592307569.db2.gz GSUSHWNMOHOZCU-DOIPELPJSA-N 2 1 341.499 1.961 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ncc[nH]2)C1 ZINC000901297732 592328281 /nfs/dbraw/zinc/32/82/81/592328281.db2.gz BLDJJAKMKLQYCF-KGLIPLIRSA-N 2 1 334.420 1.348 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000908145485 592352717 /nfs/dbraw/zinc/35/27/17/592352717.db2.gz NGUIAUMAHBSBHT-UHFFFAOYSA-N 2 1 338.540 1.737 20 0 EDADMP Cc1cnn([C@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)c1 ZINC000903892012 592353469 /nfs/dbraw/zinc/35/34/69/592353469.db2.gz FRMGAQUMUQMDEO-HOTGVXAUSA-N 2 1 329.452 1.545 20 0 EDADMP Cc1cnn([C@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)c1 ZINC000903892012 592353472 /nfs/dbraw/zinc/35/34/72/592353472.db2.gz FRMGAQUMUQMDEO-HOTGVXAUSA-N 2 1 329.452 1.545 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)[C@@H]1CCC[NH2+]1 ZINC000903873325 592354618 /nfs/dbraw/zinc/35/46/18/592354618.db2.gz HBKHXGBFFWHMSY-VGUREELVSA-N 3 1 334.508 1.097 20 0 EDADMP CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000906827067 592355906 /nfs/dbraw/zinc/35/59/06/592355906.db2.gz QDKDNMXRLJSCFM-HZPDHXFCSA-N 2 1 325.497 1.555 20 0 EDADMP CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1C[C@@H](C)O ZINC000906827067 592355909 /nfs/dbraw/zinc/35/59/09/592355909.db2.gz QDKDNMXRLJSCFM-HZPDHXFCSA-N 2 1 325.497 1.555 20 0 EDADMP CNC(=O)c1ccc(C[N@@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903878449 592358684 /nfs/dbraw/zinc/35/86/84/592358684.db2.gz UOTMUQJJJQIMOD-INIZCTEOSA-N 2 1 343.475 1.338 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000906841848 592365560 /nfs/dbraw/zinc/36/55/60/592365560.db2.gz NQMMRZIJLFWWIP-FGTMMUONSA-N 2 1 337.508 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000906841848 592365562 /nfs/dbraw/zinc/36/55/62/592365562.db2.gz NQMMRZIJLFWWIP-FGTMMUONSA-N 2 1 337.508 1.678 20 0 EDADMP CC[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H]1N1CCOCC1 ZINC000903915079 592365593 /nfs/dbraw/zinc/36/55/93/592365593.db2.gz XYZFDGWNXSMXLF-JXFKEZNVSA-N 2 1 329.488 1.875 20 0 EDADMP COc1ccc([C@@H](CO)[N@@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903893062 592366637 /nfs/dbraw/zinc/36/66/37/592366637.db2.gz PLVXLVFLWLYZIO-HNAYVOBHSA-N 2 1 346.475 1.520 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903898222 592368882 /nfs/dbraw/zinc/36/88/82/592368882.db2.gz MNMRHGXOYYXGEG-IBGZPJMESA-N 2 1 342.487 1.071 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cnn1C ZINC000903908739 592373994 /nfs/dbraw/zinc/37/39/94/592373994.db2.gz PBSPICDEKZJPNA-CRAIPNDOSA-N 2 1 329.448 1.394 20 0 EDADMP [NH3+]CCC[C@@H](NCc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903918701 592377483 /nfs/dbraw/zinc/37/74/83/592377483.db2.gz FUBNCVRHSLIBQW-SJLPKXTDSA-N 2 1 328.464 1.772 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000906874932 592378304 /nfs/dbraw/zinc/37/83/04/592378304.db2.gz LRFQAVCNTFEYRZ-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000906874932 592378310 /nfs/dbraw/zinc/37/83/10/592378310.db2.gz LRFQAVCNTFEYRZ-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917500 592389908 /nfs/dbraw/zinc/38/99/08/592389908.db2.gz MNOXBSBZMQEGCB-SQNIBIBYSA-N 3 1 333.524 1.558 20 0 EDADMP CO[C@]1(C(F)(F)F)CC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903940107 592391678 /nfs/dbraw/zinc/39/16/78/592391678.db2.gz XIHJUOJDGNGTRZ-GXTWGEPZSA-N 2 1 334.386 1.499 20 0 EDADMP CO[C@]1(C(F)(F)F)CC[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903940107 592391682 /nfs/dbraw/zinc/39/16/82/592391682.db2.gz XIHJUOJDGNGTRZ-GXTWGEPZSA-N 2 1 334.386 1.499 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1 ZINC000903954366 592395708 /nfs/dbraw/zinc/39/57/08/592395708.db2.gz RSYWYQBNTRHEJM-YDHLFZDLSA-N 2 1 333.398 1.848 20 0 EDADMP COC(=O)COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903956124 592396146 /nfs/dbraw/zinc/39/61/46/592396146.db2.gz HGZQSBVRZIGJHM-CYBMUJFWSA-N 2 1 328.359 1.573 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(OC)cc1OC)C2 ZINC000903978627 592399684 /nfs/dbraw/zinc/39/96/84/592399684.db2.gz ISDSXNODBWISLS-IYOUNJFTSA-N 2 1 334.416 1.416 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000906938270 592419352 /nfs/dbraw/zinc/41/93/52/592419352.db2.gz LXAOZBOAXGDCTB-UHFFFAOYSA-N 2 1 338.521 1.132 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@@H](O)CC3(O)CCCC3)CC2)nc(C)[nH+]1 ZINC000905152925 592422867 /nfs/dbraw/zinc/42/28/67/592422867.db2.gz DJRLUWCPTYBQHJ-KRWDZBQOSA-N 2 1 348.491 1.708 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH+]3CCOC[C@H]3C)CC2)C1 ZINC000908313632 592428976 /nfs/dbraw/zinc/42/89/76/592428976.db2.gz AFXOKRBUBPTEQO-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)C1 ZINC000908313632 592428980 /nfs/dbraw/zinc/42/89/80/592428980.db2.gz AFXOKRBUBPTEQO-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)C1 ZINC000908313632 592428983 /nfs/dbraw/zinc/42/89/83/592428983.db2.gz AFXOKRBUBPTEQO-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP C[N@@H+]1CC[C@@H](Cc2nc(-c3cnn(-c4cc[nH+]cc4)c3N)no2)C1 ZINC000904164575 592437209 /nfs/dbraw/zinc/43/72/09/592437209.db2.gz KBRZBASRSKMSQF-NSHDSACASA-N 2 1 325.376 1.394 20 0 EDADMP C[N@H+]1CC[C@@H](Cc2nc(-c3cnn(-c4cc[nH+]cc4)c3N)no2)C1 ZINC000904164575 592437214 /nfs/dbraw/zinc/43/72/14/592437214.db2.gz KBRZBASRSKMSQF-NSHDSACASA-N 2 1 325.376 1.394 20 0 EDADMP C[C@]1(C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905244004 592474546 /nfs/dbraw/zinc/47/45/46/592474546.db2.gz OEIZNTACRZHBOR-VAMGGRTRSA-N 2 1 348.487 1.391 20 0 EDADMP C[C@](O)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(F)(F)C(F)(F)F ZINC000905383650 592513802 /nfs/dbraw/zinc/51/38/02/592513802.db2.gz UROBUQQQHWOIFE-NEPJUHHUSA-N 2 1 346.340 1.778 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905399970 592521098 /nfs/dbraw/zinc/52/10/98/592521098.db2.gz ORJLWJOZWBALRK-BTHPGYMESA-N 2 1 348.487 1.247 20 0 EDADMP NC(=O)c1cnc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c(Cl)c1 ZINC000905700121 592613997 /nfs/dbraw/zinc/61/39/97/592613997.db2.gz JRGUUDUVDJRUEB-OKILXGFUSA-N 2 1 349.866 1.239 20 0 EDADMP NC(=O)c1cnc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c(Cl)c1 ZINC000905700121 592613998 /nfs/dbraw/zinc/61/39/98/592613998.db2.gz JRGUUDUVDJRUEB-OKILXGFUSA-N 2 1 349.866 1.239 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000907689886 592758430 /nfs/dbraw/zinc/75/84/30/592758430.db2.gz SITUBVYJNAMNKY-UHFFFAOYSA-N 2 1 333.480 1.770 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000906218433 592760414 /nfs/dbraw/zinc/76/04/14/592760414.db2.gz KSINFQRMRUBJQQ-LSBZLQRGSA-N 2 1 340.471 1.980 20 0 EDADMP CC[NH+](CC)CC1CC[NH+](Cc2cn(-c3ccn(C)n3)nn2)CC1 ZINC000906255243 592765095 /nfs/dbraw/zinc/76/50/95/592765095.db2.gz VLFBEJKICWXYBQ-UHFFFAOYSA-N 2 1 331.468 1.555 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000909206869 592769343 /nfs/dbraw/zinc/76/93/43/592769343.db2.gz PRBOVOASJFDQBD-AYHJJNSGSA-N 2 1 336.524 1.534 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000909206869 592769346 /nfs/dbraw/zinc/76/93/46/592769346.db2.gz PRBOVOASJFDQBD-AYHJJNSGSA-N 2 1 336.524 1.534 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000909206869 592769349 /nfs/dbraw/zinc/76/93/49/592769349.db2.gz PRBOVOASJFDQBD-AYHJJNSGSA-N 2 1 336.524 1.534 20 0 EDADMP CN1CCN(C[C@@H]2CN([C@@H]3C[C@@H]3c3cccc(F)c3)CCO2)CC1 ZINC000906589512 592852599 /nfs/dbraw/zinc/85/25/99/592852599.db2.gz CXKMFNBDUVBGLE-GUDVDZBRSA-N 2 1 333.451 1.630 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000906579746 592857507 /nfs/dbraw/zinc/85/75/07/592857507.db2.gz KRRAZIVXPUIZTF-MRXNPFEDSA-N 2 1 346.475 1.861 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911188456 592945576 /nfs/dbraw/zinc/94/55/76/592945576.db2.gz YDUANKLBDJYMBE-OAGGEKHMSA-N 2 1 338.496 1.001 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)C1 ZINC000911580570 592954053 /nfs/dbraw/zinc/95/40/53/592954053.db2.gz RPJWEUABCHHZRN-KFWWJZLASA-N 2 1 339.480 1.106 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)C1 ZINC000911580570 592954055 /nfs/dbraw/zinc/95/40/55/592954055.db2.gz RPJWEUABCHHZRN-KFWWJZLASA-N 2 1 339.480 1.106 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000911628673 592968948 /nfs/dbraw/zinc/96/89/48/592968948.db2.gz CPVPRMDIQWJXNL-HKUYNNGSSA-N 2 1 344.503 1.166 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C[C@](C)(c3ccccn3)CC2=O)CC1 ZINC000758224343 593397180 /nfs/dbraw/zinc/39/71/80/593397180.db2.gz UFVOZHGWPGZSDJ-LJQANCHMSA-N 2 1 330.476 1.803 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834293 593510400 /nfs/dbraw/zinc/51/04/00/593510400.db2.gz BQJXBIPEKNSQEC-CVEARBPZSA-N 2 1 341.496 1.678 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834293 593510401 /nfs/dbraw/zinc/51/04/01/593510401.db2.gz BQJXBIPEKNSQEC-CVEARBPZSA-N 2 1 341.496 1.678 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)c2cc(F)ccc2F)C1 ZINC000819003271 593733341 /nfs/dbraw/zinc/73/33/41/593733341.db2.gz CYOKSTKPKZNLLF-LRDDRELGSA-N 2 1 341.402 1.175 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2cc(F)ccc2F)C1 ZINC000819003271 593733342 /nfs/dbraw/zinc/73/33/42/593733342.db2.gz CYOKSTKPKZNLLF-LRDDRELGSA-N 2 1 341.402 1.175 20 0 EDADMP C[NH+](C)CCCOc1ccc(NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000819438896 593754566 /nfs/dbraw/zinc/75/45/66/593754566.db2.gz KSALIVZNDDOMRP-KRWDZBQOSA-N 2 1 337.464 1.122 20 0 EDADMP c1cc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc[nH+]1 ZINC000823756962 593851850 /nfs/dbraw/zinc/85/18/50/593851850.db2.gz IBNQIWZPCHANKN-UHFFFAOYSA-N 2 1 335.415 1.974 20 0 EDADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821599404 593875380 /nfs/dbraw/zinc/87/53/80/593875380.db2.gz RXGYRCYDQVUIIE-IRXDYDNUSA-N 2 1 344.463 1.706 20 0 EDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821599404 593875383 /nfs/dbraw/zinc/87/53/83/593875383.db2.gz RXGYRCYDQVUIIE-IRXDYDNUSA-N 2 1 344.463 1.706 20 0 EDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821599404 593875386 /nfs/dbraw/zinc/87/53/86/593875386.db2.gz RXGYRCYDQVUIIE-IRXDYDNUSA-N 2 1 344.463 1.706 20 0 EDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821599404 593875389 /nfs/dbraw/zinc/87/53/89/593875389.db2.gz RXGYRCYDQVUIIE-IRXDYDNUSA-N 2 1 344.463 1.706 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000822925783 594123098 /nfs/dbraw/zinc/12/30/98/594123098.db2.gz KJRFSCCJEPTHAO-CHWSQXEVSA-N 2 1 343.431 1.575 20 0 EDADMP CC(C)(C)OC(=O)CN1CCC(NC(=O)CN2CCCC2)CC1 ZINC000825392142 594177575 /nfs/dbraw/zinc/17/75/75/594177575.db2.gz KYVFMRZLHXULPC-UHFFFAOYSA-N 2 1 325.453 1.005 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C[C@H]([NH3+])C3CC3)c2)CCO1 ZINC000827666162 594253909 /nfs/dbraw/zinc/25/39/09/594253909.db2.gz KOUONHPDXTWAKF-KSSFIOAISA-N 2 1 331.460 1.651 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C[C@H]([NH3+])C3CC3)c2)CCO1 ZINC000827666162 594253911 /nfs/dbraw/zinc/25/39/11/594253911.db2.gz KOUONHPDXTWAKF-KSSFIOAISA-N 2 1 331.460 1.651 20 0 EDADMP Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)COC3CC[NH+](C)CC3)C2)c1 ZINC000828215821 594366574 /nfs/dbraw/zinc/36/65/74/594366574.db2.gz IJTMWPGWQGVLCZ-GOSISDBHSA-N 2 1 345.487 1.796 20 0 EDADMP CCO[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)C[NH+](C)C ZINC000831758276 594700262 /nfs/dbraw/zinc/70/02/62/594700262.db2.gz XMRSNOLCXUOCMJ-QZTJIDSGSA-N 2 1 333.476 1.734 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1cccc2c1CC[NH2+]C2 ZINC000841305012 594883181 /nfs/dbraw/zinc/88/31/81/594883181.db2.gz DSMKDHDGDZTCOX-HUUCEWRRSA-N 2 1 330.432 1.317 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NCc2ccc(CC[NH3+])cc2)CCCO1 ZINC000841886354 594973822 /nfs/dbraw/zinc/97/38/22/594973822.db2.gz OIUHDCHYVZYCJP-INIZCTEOSA-N 2 1 348.491 1.488 20 0 EDADMP COC(=O)c1cc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)cs1 ZINC000842039278 595007686 /nfs/dbraw/zinc/00/76/86/595007686.db2.gz MJJUKBLANJGLDR-GFCCVEGCSA-N 2 1 341.433 1.642 20 0 EDADMP COC(=O)c1cc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)cs1 ZINC000842039278 595007689 /nfs/dbraw/zinc/00/76/89/595007689.db2.gz MJJUKBLANJGLDR-GFCCVEGCSA-N 2 1 341.433 1.642 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCCCCCCC[NH+](C)C ZINC000842177756 595029378 /nfs/dbraw/zinc/02/93/78/595029378.db2.gz JDQDQSNMZGBDHI-IAGOWNOFSA-N 2 1 342.528 1.595 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc([C@@]4(C)CC[NH2+]C4)n3)cn2)CC1 ZINC000843196979 595029430 /nfs/dbraw/zinc/02/94/30/595029430.db2.gz ARPLZOWOORFAJP-KRWDZBQOSA-N 2 1 328.420 1.134 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843353612 595084651 /nfs/dbraw/zinc/08/46/51/595084651.db2.gz FKBLWZWCXBRACB-UHFFFAOYSA-N 2 1 349.475 1.564 20 0 EDADMP C[N@@H+](CC(=O)NCCOc1ccc2c(c1)OCO2)C1CCC([NH3+])CC1 ZINC000843354652 595085000 /nfs/dbraw/zinc/08/50/00/595085000.db2.gz AEWGURHMKLJSEN-UHFFFAOYSA-N 2 1 349.431 1.112 20 0 EDADMP C[N@@H+](CCN(Cc1ccccc1)S(C)(=O)=O)C1CCC([NH3+])CC1 ZINC000843355293 595085695 /nfs/dbraw/zinc/08/56/95/595085695.db2.gz QGKYCRWZUONRIG-UHFFFAOYSA-N 2 1 339.505 1.650 20 0 EDADMP C[NH2+]C[C@H](C)c1noc([C@@H](c2ccccc2)N2CC[NH+](C)CC2)n1 ZINC000842580879 595132153 /nfs/dbraw/zinc/13/21/53/595132153.db2.gz BJVJLRLNFPRUSU-GOEBONIOSA-N 2 1 329.448 1.729 20 0 EDADMP CCCCCCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846223104 595178009 /nfs/dbraw/zinc/17/80/09/595178009.db2.gz OMDFXXQTHXTPPC-BBWFWOEESA-N 2 1 325.497 1.901 20 0 EDADMP CC[N@@H+](CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2)C1CCCCC1 ZINC000846687310 595302123 /nfs/dbraw/zinc/30/21/23/595302123.db2.gz DTVNLCGXGRIHRK-UHFFFAOYSA-N 2 1 333.480 1.830 20 0 EDADMP C[N@@H+]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000846695983 595303253 /nfs/dbraw/zinc/30/32/53/595303253.db2.gz HSSKHCSBLCGVIA-QZTJIDSGSA-N 2 1 331.460 1.140 20 0 EDADMP C[N@H+]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000846695983 595303255 /nfs/dbraw/zinc/30/32/55/595303255.db2.gz HSSKHCSBLCGVIA-QZTJIDSGSA-N 2 1 331.460 1.140 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)nn1 ZINC000844227546 595310073 /nfs/dbraw/zinc/31/00/73/595310073.db2.gz YOXDCOVGZMDCLL-INIZCTEOSA-N 2 1 338.419 1.155 20 0 EDADMP CCN1C[C@H](C[NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)OC1=O ZINC000846843114 595325221 /nfs/dbraw/zinc/32/52/21/595325221.db2.gz YJUTUTGXPLKFPV-KRWDZBQOSA-N 2 1 341.496 1.898 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000846843164 595325308 /nfs/dbraw/zinc/32/53/08/595325308.db2.gz ZVFYSTRAINYOHT-RDTXWAMCSA-N 2 1 329.448 1.681 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000846843164 595325310 /nfs/dbraw/zinc/32/53/10/595325310.db2.gz ZVFYSTRAINYOHT-RDTXWAMCSA-N 2 1 329.448 1.681 20 0 EDADMP C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848295688 595356108 /nfs/dbraw/zinc/35/61/08/595356108.db2.gz SDOVJRHVVQMJGY-YESZJQIVSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848295688 595356111 /nfs/dbraw/zinc/35/61/11/595356111.db2.gz SDOVJRHVVQMJGY-YESZJQIVSA-N 2 1 325.497 1.866 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000847451257 595422315 /nfs/dbraw/zinc/42/23/15/595422315.db2.gz CKQSULWRXHXIDG-GOSISDBHSA-N 2 1 333.476 1.631 20 0 EDADMP COc1cccc(C2(CNC(=[NH2+])NCCC[NH+]3CCOCC3)CC2)c1 ZINC000849085659 595479872 /nfs/dbraw/zinc/47/98/72/595479872.db2.gz TYAQCFFZAGNIJH-UHFFFAOYSA-N 2 1 346.475 1.563 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])N3CCC3)c2)C1 ZINC000849112120 595483944 /nfs/dbraw/zinc/48/39/44/595483944.db2.gz WCXCLAPRZPBWTE-INIZCTEOSA-N 2 1 329.448 1.114 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849486029 595548204 /nfs/dbraw/zinc/54/82/04/595548204.db2.gz DOMKBQWYWKPQQF-ZWKOTPCHSA-N 2 1 347.507 1.446 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849523743 595558137 /nfs/dbraw/zinc/55/81/37/595558137.db2.gz XLUUVXKZXIXCON-BZSNNMDCSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849523743 595558138 /nfs/dbraw/zinc/55/81/38/595558138.db2.gz XLUUVXKZXIXCON-BZSNNMDCSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849523743 595558140 /nfs/dbraw/zinc/55/81/40/595558140.db2.gz XLUUVXKZXIXCON-BZSNNMDCSA-N 2 1 347.507 1.444 20 0 EDADMP CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849521579 595558711 /nfs/dbraw/zinc/55/87/11/595558711.db2.gz SYYGBBPUIDNEOL-IAGOWNOFSA-N 2 1 333.480 1.010 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849541671 595560747 /nfs/dbraw/zinc/56/07/47/595560747.db2.gz QMJQPUSSKNZNAC-DLBZAZTESA-N 2 1 335.496 1.302 20 0 EDADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849541671 595560751 /nfs/dbraw/zinc/56/07/51/595560751.db2.gz QMJQPUSSKNZNAC-DLBZAZTESA-N 2 1 335.496 1.302 20 0 EDADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849541671 595560754 /nfs/dbraw/zinc/56/07/54/595560754.db2.gz QMJQPUSSKNZNAC-DLBZAZTESA-N 2 1 335.496 1.302 20 0 EDADMP O=C(NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000852862325 595583392 /nfs/dbraw/zinc/58/33/92/595583392.db2.gz ZZFGPLRTLUUGIU-IBGZPJMESA-N 2 1 346.450 1.159 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(F)(F)C1CCOCC1 ZINC000855346938 595681984 /nfs/dbraw/zinc/68/19/84/595681984.db2.gz PDUJYKZJGTVQPA-ZDUSSCGKSA-N 2 1 335.439 1.437 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(F)(F)C1CCOCC1 ZINC000855346938 595681988 /nfs/dbraw/zinc/68/19/88/595681988.db2.gz PDUJYKZJGTVQPA-ZDUSSCGKSA-N 2 1 335.439 1.437 20 0 EDADMP Cc1nc(N[C@H]2CC[NH+](C3CC3)C2)nc(N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000853231667 595713934 /nfs/dbraw/zinc/71/39/34/595713934.db2.gz LEPGCIAIJYCSPL-KBPBESRZSA-N 2 1 343.479 1.477 20 0 EDADMP CNC(=O)c1ccc(CN(C[C@H](O)C[N@@H+](C)C(C)C)C2CC2)cc1 ZINC000851709796 595892764 /nfs/dbraw/zinc/89/27/64/595892764.db2.gz ABWDDWTUXOIJPF-GOSISDBHSA-N 2 1 333.476 1.712 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214791 596006134 /nfs/dbraw/zinc/00/61/34/596006134.db2.gz SOTKXIFVXDYCLI-YJBOKZPZSA-N 2 1 333.476 1.864 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214791 596006136 /nfs/dbraw/zinc/00/61/36/596006136.db2.gz SOTKXIFVXDYCLI-YJBOKZPZSA-N 2 1 333.476 1.864 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H]3CCCNC3=O)C2)ccn1 ZINC000856586438 596024891 /nfs/dbraw/zinc/02/48/91/596024891.db2.gz QSSYEAXJLASHAC-DLBZAZTESA-N 2 1 332.448 1.265 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)ccn1 ZINC000856586438 596024895 /nfs/dbraw/zinc/02/48/95/596024895.db2.gz QSSYEAXJLASHAC-DLBZAZTESA-N 2 1 332.448 1.265 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)ccn1 ZINC000856586438 596024898 /nfs/dbraw/zinc/02/48/98/596024898.db2.gz QSSYEAXJLASHAC-DLBZAZTESA-N 2 1 332.448 1.265 20 0 EDADMP C[C@@H]([NH3+])CN(C)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000861565121 596031103 /nfs/dbraw/zinc/03/11/03/596031103.db2.gz QFNGKVNUEREVIT-HUUCEWRRSA-N 2 1 334.464 1.396 20 0 EDADMP C[C@@H]([NH3+])CN(C)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000861565121 596031108 /nfs/dbraw/zinc/03/11/08/596031108.db2.gz QFNGKVNUEREVIT-HUUCEWRRSA-N 2 1 334.464 1.396 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)ccn1 ZINC000856625738 596039334 /nfs/dbraw/zinc/03/93/34/596039334.db2.gz GRWQCZQJDYBIKF-MAUKXSAKSA-N 2 1 346.475 1.465 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)ccn1 ZINC000856625738 596039337 /nfs/dbraw/zinc/03/93/37/596039337.db2.gz GRWQCZQJDYBIKF-MAUKXSAKSA-N 2 1 346.475 1.465 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC000856625738 596039341 /nfs/dbraw/zinc/03/93/41/596039341.db2.gz GRWQCZQJDYBIKF-MAUKXSAKSA-N 2 1 346.475 1.465 20 0 EDADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2 ZINC000852108305 596046800 /nfs/dbraw/zinc/04/68/00/596046800.db2.gz ZXBXWBSXMUPLNQ-ROUUACIJSA-N 2 1 341.496 1.680 20 0 EDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2 ZINC000852108305 596046807 /nfs/dbraw/zinc/04/68/07/596046807.db2.gz ZXBXWBSXMUPLNQ-ROUUACIJSA-N 2 1 341.496 1.680 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2 ZINC000852108305 596046810 /nfs/dbraw/zinc/04/68/10/596046810.db2.gz ZXBXWBSXMUPLNQ-ROUUACIJSA-N 2 1 341.496 1.680 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2 ZINC000852108305 596046815 /nfs/dbraw/zinc/04/68/15/596046815.db2.gz ZXBXWBSXMUPLNQ-ROUUACIJSA-N 2 1 341.496 1.680 20 0 EDADMP CS(=O)(=O)N1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000866562263 596252817 /nfs/dbraw/zinc/25/28/17/596252817.db2.gz QVOQDVPGGJJNEP-KRWDZBQOSA-N 2 1 343.537 1.797 20 0 EDADMP CS(=O)(=O)N1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000866562263 596252819 /nfs/dbraw/zinc/25/28/19/596252819.db2.gz QVOQDVPGGJJNEP-KRWDZBQOSA-N 2 1 343.537 1.797 20 0 EDADMP Cc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc1Cl ZINC000866658799 596283672 /nfs/dbraw/zinc/28/36/72/596283672.db2.gz ADTJMSWJYUEMCN-AWEZNQCLSA-N 2 1 336.867 1.687 20 0 EDADMP Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)C2=O)n1 ZINC000866707861 596302860 /nfs/dbraw/zinc/30/28/60/596302860.db2.gz PAQJEEGQIVOZRT-RDTXWAMCSA-N 2 1 333.480 1.612 20 0 EDADMP Cn1ccc(N2CCC[C@@H]([N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)C2=O)n1 ZINC000866707861 596302865 /nfs/dbraw/zinc/30/28/65/596302865.db2.gz PAQJEEGQIVOZRT-RDTXWAMCSA-N 2 1 333.480 1.612 20 0 EDADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866708201 596303242 /nfs/dbraw/zinc/30/32/42/596303242.db2.gz LTXLQIAUHQBREF-NUJGCVRESA-N 2 1 345.443 1.549 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000869285964 596473451 /nfs/dbraw/zinc/47/34/51/596473451.db2.gz XIWHYEIERVHOPU-KBPBESRZSA-N 2 1 342.484 1.042 20 0 EDADMP COCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000865474866 596585775 /nfs/dbraw/zinc/58/57/75/596585775.db2.gz DAYAXBZKRSHHCM-QLFBSQMISA-N 2 1 329.485 1.989 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc(C4=CC[C@H]([NH3+])C4)n3)cn2)CC1 ZINC000863667385 596651017 /nfs/dbraw/zinc/65/10/17/596651017.db2.gz HUPCAPBKJSTDCL-AWEZNQCLSA-N 2 1 326.404 1.388 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)[C@@H](C)C1 ZINC000868180865 596713825 /nfs/dbraw/zinc/71/38/25/596713825.db2.gz UPNDRRXMIAHBQT-UWWPHRKUSA-N 2 1 332.448 1.420 20 0 EDADMP C[N@@H+](CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1CCCC1 ZINC000868229584 596736017 /nfs/dbraw/zinc/73/60/17/596736017.db2.gz PMVNADUHMGHECA-DLBZAZTESA-N 2 1 344.459 1.430 20 0 EDADMP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC000872154984 596815679 /nfs/dbraw/zinc/81/56/79/596815679.db2.gz IGUUSKCQBDODCK-HNNXBMFYSA-N 2 1 334.464 1.852 20 0 EDADMP O[C@]1(C[NH2+]C[C@H]2COC3(CCCC3)O2)CC[N@H+](Cc2ccccc2)C1 ZINC000872206447 596835326 /nfs/dbraw/zinc/83/53/26/596835326.db2.gz ZFSWYRLUQVCJRP-OALUTQOASA-N 2 1 346.471 1.899 20 0 EDADMP O[C@]1(C[NH2+]C[C@H]2COC3(CCCC3)O2)CC[N@@H+](Cc2ccccc2)C1 ZINC000872206447 596835329 /nfs/dbraw/zinc/83/53/29/596835329.db2.gz ZFSWYRLUQVCJRP-OALUTQOASA-N 2 1 346.471 1.899 20 0 EDADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254554 596855816 /nfs/dbraw/zinc/85/58/16/596855816.db2.gz HJLMROZACXMPIA-ZACQAIPSSA-N 2 1 344.415 1.012 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](C(C)(C)O)C1 ZINC000875714888 596957901 /nfs/dbraw/zinc/95/79/01/596957901.db2.gz XSVDREQLZFRHPW-HOTGVXAUSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](C(C)(C)O)C1 ZINC000875714888 596957904 /nfs/dbraw/zinc/95/79/04/596957904.db2.gz XSVDREQLZFRHPW-HOTGVXAUSA-N 2 1 342.528 1.451 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@H]3CSC[C@H]3C1)C[NH+]1CCC2CC1 ZINC000872720469 597044477 /nfs/dbraw/zinc/04/44/77/597044477.db2.gz QHCQSKMOHLDQMG-JJRVBVJISA-N 2 1 337.489 1.545 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CC[C@H]3CSC[C@H]3C1)C[NH+]1CCC2CC1 ZINC000872720469 597044481 /nfs/dbraw/zinc/04/44/81/597044481.db2.gz QHCQSKMOHLDQMG-JJRVBVJISA-N 2 1 337.489 1.545 20 0 EDADMP CC(C)[NH+]1CCC(CCNC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000876028526 597067747 /nfs/dbraw/zinc/06/77/47/597067747.db2.gz CHJZXFWITVTALL-INIZCTEOSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)c1ccco1 ZINC000874432056 597075489 /nfs/dbraw/zinc/07/54/89/597075489.db2.gz UBOWVVWHXJDYBT-IAGOWNOFSA-N 2 1 342.443 1.896 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000873111388 597199556 /nfs/dbraw/zinc/19/95/56/597199556.db2.gz MSYHWTJTJIHGPW-IAGOWNOFSA-N 2 1 344.459 1.430 20 0 EDADMP COC[C@]1(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CCCC[NH2+]1 ZINC000876721080 597304949 /nfs/dbraw/zinc/30/49/49/597304949.db2.gz QVKNWEHGBWVOPQ-SFHVURJKSA-N 2 1 343.431 1.351 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000876723019 597305761 /nfs/dbraw/zinc/30/57/61/597305761.db2.gz KSLMXIURWOHWOP-GOEBONIOSA-N 2 1 333.480 1.578 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)c1 ZINC000876728004 597309173 /nfs/dbraw/zinc/30/91/73/597309173.db2.gz FVOGFWTURLDQIN-BPUTZDHNSA-N 2 1 348.422 1.022 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)c1 ZINC000876728004 597309176 /nfs/dbraw/zinc/30/91/76/597309176.db2.gz FVOGFWTURLDQIN-BPUTZDHNSA-N 2 1 348.422 1.022 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C[C@H](C)O1 ZINC000876737368 597313707 /nfs/dbraw/zinc/31/37/07/597313707.db2.gz QITKMXXVEBGNCD-MUDKKEKZSA-N 2 1 335.492 1.619 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C[C@H](C)O1 ZINC000876737368 597313712 /nfs/dbraw/zinc/31/37/12/597313712.db2.gz QITKMXXVEBGNCD-MUDKKEKZSA-N 2 1 335.492 1.619 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000876737932 597314811 /nfs/dbraw/zinc/31/48/11/597314811.db2.gz XCRZBSQSIJRJLD-HYVNUMGLSA-N 2 1 347.507 1.966 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000876739453 597315725 /nfs/dbraw/zinc/31/57/25/597315725.db2.gz GEIRJSKHVBVJCR-SMDDNHRTSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2c(C[NH3+])cnn2C)C1 ZINC000876742287 597317548 /nfs/dbraw/zinc/31/75/48/597317548.db2.gz XARRDXQPSCGFSG-LSDHHAIUSA-N 2 1 333.480 1.605 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000876755208 597323847 /nfs/dbraw/zinc/32/38/47/597323847.db2.gz SYVFRGDJVGBQSC-CVEARBPZSA-N 2 1 331.464 1.425 20 0 EDADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000876781981 597339075 /nfs/dbraw/zinc/33/90/75/597339075.db2.gz UCBPEGZQZGEBOC-VOSNQSNISA-N 2 1 342.487 1.784 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)(N2CCCCC2)CC1 ZINC000876785021 597339311 /nfs/dbraw/zinc/33/93/11/597339311.db2.gz ODYJJFUETVOCLV-HOTGVXAUSA-N 2 1 340.487 1.001 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[N@@H+](C)C1CC1 ZINC000875240077 597348182 /nfs/dbraw/zinc/34/81/82/597348182.db2.gz NLBFWUWWWMWKHN-HNNXBMFYSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H]1C[C@H](CCNC(=O)[C@@H](N)C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000876901779 597378099 /nfs/dbraw/zinc/37/80/99/597378099.db2.gz HBFGTKNAGZYNJB-SZMVWBNQSA-N 2 1 332.492 1.292 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N2C3CCC2(C[NH3+])CC3)c2ccccc2)CC1 ZINC000877188174 597456422 /nfs/dbraw/zinc/45/64/22/597456422.db2.gz RVYSCLPWVKIKFU-QPIRBTGLSA-N 2 1 342.487 1.457 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000875535795 597468730 /nfs/dbraw/zinc/46/87/30/597468730.db2.gz XMEIDIFZDFXKGJ-HOCLYGCPSA-N 2 1 338.496 1.148 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000875535795 597468734 /nfs/dbraw/zinc/46/87/34/597468734.db2.gz XMEIDIFZDFXKGJ-HOCLYGCPSA-N 2 1 338.496 1.148 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000875535795 597468736 /nfs/dbraw/zinc/46/87/36/597468736.db2.gz XMEIDIFZDFXKGJ-HOCLYGCPSA-N 2 1 338.496 1.148 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)C[C@H]1C(F)(F)F ZINC000877354557 597499410 /nfs/dbraw/zinc/49/94/10/597499410.db2.gz HHUIITJGJKXZSE-NYRNMGCKSA-N 2 1 337.292 1.560 20 0 EDADMP CNC(=O)c1ccc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)cc1 ZINC000877665624 597546062 /nfs/dbraw/zinc/54/60/62/597546062.db2.gz ZEHPUSZCCOGDJW-UHFFFAOYSA-N 2 1 333.476 1.836 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000877990792 597568296 /nfs/dbraw/zinc/56/82/96/597568296.db2.gz WIOTYFVGDSCRPU-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000877990792 597568297 /nfs/dbraw/zinc/56/82/97/597568297.db2.gz WIOTYFVGDSCRPU-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878340762 597596831 /nfs/dbraw/zinc/59/68/31/597596831.db2.gz OJLYHVRIHKBCFV-AWEZNQCLSA-N 2 1 339.480 1.108 20 0 EDADMP Cc1ccccc1[C@@H](O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000881414315 597608074 /nfs/dbraw/zinc/60/80/74/597608074.db2.gz MFEMVYGFKWXPFO-SFHVURJKSA-N 2 1 329.448 1.286 20 0 EDADMP O[C@H](C[NH+]1CC[C@H]2CSC[C@@H]2C1)C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879562762 597633694 /nfs/dbraw/zinc/63/36/94/597633694.db2.gz LNOQPVVDTQNJOS-BQJWPVKWSA-N 2 1 342.574 1.717 20 0 EDADMP O[C@@H](C[NH+]1CC[C@@H]2CSC[C@@H]2C1)C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879562762 597633697 /nfs/dbraw/zinc/63/36/97/597633697.db2.gz LNOQPVVDTQNJOS-BQJWPVKWSA-N 2 1 342.574 1.717 20 0 EDADMP O[C@@H](C[NH+]1CC[C@@H]2CSC[C@@H]2C1)C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879562762 597633700 /nfs/dbraw/zinc/63/37/00/597633700.db2.gz LNOQPVVDTQNJOS-BQJWPVKWSA-N 2 1 342.574 1.717 20 0 EDADMP CCCCCC[C@](O)(C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)C(=O)OC ZINC000879581273 597641637 /nfs/dbraw/zinc/64/16/37/597641637.db2.gz XMULSWQGQVAWMU-RYRKJORJSA-N 2 1 326.481 1.887 20 0 EDADMP CCCCCC[C@](O)(C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)C(=O)OC ZINC000879581273 597641639 /nfs/dbraw/zinc/64/16/39/597641639.db2.gz XMULSWQGQVAWMU-RYRKJORJSA-N 2 1 326.481 1.887 20 0 EDADMP CCCCCC[C@](O)(C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)C(=O)OC ZINC000879581273 597641641 /nfs/dbraw/zinc/64/16/41/597641641.db2.gz XMULSWQGQVAWMU-RYRKJORJSA-N 2 1 326.481 1.887 20 0 EDADMP CCCCCC[C@](O)(C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)C(=O)OC ZINC000879581273 597641643 /nfs/dbraw/zinc/64/16/43/597641643.db2.gz XMULSWQGQVAWMU-RYRKJORJSA-N 2 1 326.481 1.887 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1)c1ccccc1 ZINC000879623432 597662775 /nfs/dbraw/zinc/66/27/75/597662775.db2.gz VHYFQWFOSSKWAS-IRXDYDNUSA-N 2 1 333.476 1.498 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1)c1ccccc1 ZINC000879623432 597662776 /nfs/dbraw/zinc/66/27/76/597662776.db2.gz VHYFQWFOSSKWAS-IRXDYDNUSA-N 2 1 333.476 1.498 20 0 EDADMP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCc2sccc2C1 ZINC000883142651 597665566 /nfs/dbraw/zinc/66/55/66/597665566.db2.gz PYWPUMWPAVORQL-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCc2sccc2C1 ZINC000883142651 597665569 /nfs/dbraw/zinc/66/55/69/597665569.db2.gz PYWPUMWPAVORQL-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000883142651 597665572 /nfs/dbraw/zinc/66/55/72/597665572.db2.gz PYWPUMWPAVORQL-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000883142651 597665575 /nfs/dbraw/zinc/66/55/75/597665575.db2.gz PYWPUMWPAVORQL-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP CC(C)CNC(=O)c1ccccc1NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000883442688 597748546 /nfs/dbraw/zinc/74/85/46/597748546.db2.gz QKLGIKCSJUYFAN-JKSUJKDBSA-N 2 1 346.475 1.726 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)C[C@@H](O)c2ccccc2)CCO1 ZINC000879001239 597781345 /nfs/dbraw/zinc/78/13/45/597781345.db2.gz TWKXOOUVUWBPLE-IPMKNSEASA-N 2 1 336.476 1.514 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)C[C@@H](O)c2ccccc2)CCO1 ZINC000879001239 597781350 /nfs/dbraw/zinc/78/13/50/597781350.db2.gz TWKXOOUVUWBPLE-IPMKNSEASA-N 2 1 336.476 1.514 20 0 EDADMP C[C@@H]([NH3+])CN(C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883584978 597813643 /nfs/dbraw/zinc/81/36/43/597813643.db2.gz BWCVXSOQIOLLED-RHSMWYFYSA-N 2 1 331.464 1.782 20 0 EDADMP COCC[N@H+](CC(=O)N1CCCCCC1)CC1CC[NH+](C)CC1 ZINC000879122596 597826332 /nfs/dbraw/zinc/82/63/32/597826332.db2.gz NZQVHVMMEYDPDR-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP Cc1nccnc1[C@@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000880108871 597843606 /nfs/dbraw/zinc/84/36/06/597843606.db2.gz KMAPMOUWMXOZQT-WBVHZDCISA-N 2 1 341.459 1.855 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000883650823 597847302 /nfs/dbraw/zinc/84/73/02/597847302.db2.gz WHFUYQDIJXHKGG-INIZCTEOSA-N 2 1 349.479 1.306 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC000880261145 597886545 /nfs/dbraw/zinc/88/65/45/597886545.db2.gz JDLHRUPRHAYCHL-IAGOWNOFSA-N 2 1 345.491 1.145 20 0 EDADMP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](CO)c1ccccc1 ZINC000880459718 597938385 /nfs/dbraw/zinc/93/83/85/597938385.db2.gz XOUBUPHZYCHONJ-GOSISDBHSA-N 2 1 333.476 1.642 20 0 EDADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](CO)c1ccccc1 ZINC000880459718 597938386 /nfs/dbraw/zinc/93/83/86/597938386.db2.gz XOUBUPHZYCHONJ-GOSISDBHSA-N 2 1 333.476 1.642 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000889332799 597942003 /nfs/dbraw/zinc/94/20/03/597942003.db2.gz LDSJQMBTZXATHC-ULQDDVLXSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000889332799 597942005 /nfs/dbraw/zinc/94/20/05/597942005.db2.gz LDSJQMBTZXATHC-ULQDDVLXSA-N 2 1 340.512 1.469 20 0 EDADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884026395 597971391 /nfs/dbraw/zinc/97/13/91/597971391.db2.gz BTDKFMZMKYYOEY-CQSZACIVSA-N 2 1 344.381 1.069 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000882496168 597977390 /nfs/dbraw/zinc/97/73/90/597977390.db2.gz YPYOWBXVUMDOLY-UONOGXRCSA-N 2 1 342.484 1.042 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)c1ncoc1C[NH3+])Cc1ccccc1 ZINC000884188130 598019239 /nfs/dbraw/zinc/01/92/39/598019239.db2.gz ACMTYRBDJGQYTQ-OAHLLOKOSA-N 2 1 330.432 1.816 20 0 EDADMP C[C@@H]1CN(c2nc(N3CCOCC3)cc[nH+]2)CCN1c1cc[nH+]cc1 ZINC000882821331 598070126 /nfs/dbraw/zinc/07/01/26/598070126.db2.gz RSXKHDUARRVWRU-OAHLLOKOSA-N 2 1 340.431 1.423 20 0 EDADMP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738421237 599485852 /nfs/dbraw/zinc/48/58/52/599485852.db2.gz QENUYTUOIYGCTC-UONOGXRCSA-N 2 1 338.419 1.231 20 0 EDADMP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000738421237 599485854 /nfs/dbraw/zinc/48/58/54/599485854.db2.gz QENUYTUOIYGCTC-UONOGXRCSA-N 2 1 338.419 1.231 20 0 EDADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000914058309 695046410 /nfs/dbraw/zinc/04/64/10/695046410.db2.gz RPWPOCZWLQWLDM-QGZVFWFLSA-N 2 1 348.491 1.911 20 0 EDADMP CCO[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C[NH+](C)C ZINC000914334757 695359827 /nfs/dbraw/zinc/35/98/27/695359827.db2.gz DRKTVUGMPOBXDB-JKSUJKDBSA-N 2 1 342.528 1.763 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CC3)[C@H]2C1 ZINC000992854646 695410035 /nfs/dbraw/zinc/41/00/35/695410035.db2.gz IUVZNPTYUNOVGM-OKZBNKHCSA-N 2 1 335.492 1.335 20 0 EDADMP CC(C)(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856859 700005448 /nfs/dbraw/zinc/00/54/48/700005448.db2.gz KNTPWILMRKRUGX-NLGTXKQRSA-N 2 1 335.492 1.334 20 0 EDADMP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000914444345 695549121 /nfs/dbraw/zinc/54/91/21/695549121.db2.gz TVDRZOGALQPXHV-JFIYKMOQSA-N 2 1 325.497 1.555 20 0 EDADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000915098583 695739939 /nfs/dbraw/zinc/73/99/39/695739939.db2.gz PMBSNFDCIAPOFX-SJLPKXTDSA-N 2 1 337.508 1.699 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000915733432 695978908 /nfs/dbraw/zinc/97/89/08/695978908.db2.gz CNCFWCREHGCMCG-IXDOHACOSA-N 2 1 340.512 1.253 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CCc2cnn(C)c2)[C@H]1C ZINC000993585158 696236055 /nfs/dbraw/zinc/23/60/55/696236055.db2.gz CGOZYNQUGWKQLG-RDJZCZTQSA-N 2 1 344.463 1.137 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CCc2cnn(C)c2)[C@H]1C ZINC000993585158 696236056 /nfs/dbraw/zinc/23/60/56/696236056.db2.gz CGOZYNQUGWKQLG-RDJZCZTQSA-N 2 1 344.463 1.137 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](CCc2ccns2)[C@@H]1C ZINC000993622947 696288090 /nfs/dbraw/zinc/28/80/90/696288090.db2.gz PRHPMRXBBAQOAH-GDBMZVCRSA-N 2 1 347.488 1.860 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](CCc2ccns2)[C@@H]1C ZINC000993622947 696288092 /nfs/dbraw/zinc/28/80/92/696288092.db2.gz PRHPMRXBBAQOAH-GDBMZVCRSA-N 2 1 347.488 1.860 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cncn1C ZINC000993756249 696350580 /nfs/dbraw/zinc/35/05/80/696350580.db2.gz GNLGQIVJBJTFTE-YOEHRIQHSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1cncn1C ZINC000993756249 696350582 /nfs/dbraw/zinc/35/05/82/696350582.db2.gz GNLGQIVJBJTFTE-YOEHRIQHSA-N 2 1 333.480 1.231 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCO)[C@H]2C)CC1 ZINC000994135155 696529863 /nfs/dbraw/zinc/52/98/63/696529863.db2.gz QGUYETOLTJLNBC-DOTOQJQBSA-N 2 1 325.497 1.458 20 0 EDADMP C[C@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000916003313 696610272 /nfs/dbraw/zinc/61/02/72/696610272.db2.gz YPZHBELKFRQVMK-HZPDHXFCSA-N 2 1 342.553 1.293 20 0 EDADMP C[C@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000916003313 696610274 /nfs/dbraw/zinc/61/02/74/696610274.db2.gz YPZHBELKFRQVMK-HZPDHXFCSA-N 2 1 342.553 1.293 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ncn1 ZINC000940008530 700110342 /nfs/dbraw/zinc/11/03/42/700110342.db2.gz RBVQIQHPYROOMT-MRXNPFEDSA-N 2 1 331.464 1.350 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc3c2CCOC3)C1 ZINC001031584460 697279855 /nfs/dbraw/zinc/27/98/55/697279855.db2.gz CZCBAZRHGCJKOY-LJQANCHMSA-N 2 1 343.471 1.402 20 0 EDADMP CC(C)c1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031597235 697297528 /nfs/dbraw/zinc/29/75/28/697297528.db2.gz XKARUSHAHBAEDY-IBGZPJMESA-N 2 1 345.487 1.689 20 0 EDADMP CC(C)c1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031597235 697297530 /nfs/dbraw/zinc/29/75/30/697297530.db2.gz XKARUSHAHBAEDY-IBGZPJMESA-N 2 1 345.487 1.689 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC001031665976 697446952 /nfs/dbraw/zinc/44/69/52/697446952.db2.gz KBJVQXGPAVHAOZ-GOSISDBHSA-N 2 1 347.507 1.421 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccns2)C1 ZINC001031667087 697448471 /nfs/dbraw/zinc/44/84/71/697448471.db2.gz XLGSYZJDLMNHBP-INIZCTEOSA-N 2 1 336.505 1.606 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031669723 697465311 /nfs/dbraw/zinc/46/53/11/697465311.db2.gz RZBIGVURGDYHFD-HZPDHXFCSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031669723 697465314 /nfs/dbraw/zinc/46/53/14/697465314.db2.gz RZBIGVURGDYHFD-HZPDHXFCSA-N 2 1 332.448 1.405 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCOc3cccc(F)c3)C2)CC[N@H+]1C ZINC001031683264 697509750 /nfs/dbraw/zinc/50/97/50/697509750.db2.gz SZPKSGSFZFMJJA-RDTXWAMCSA-N 2 1 349.450 1.593 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCC3CCOCC3)C2)CC[N@H+]1C ZINC001031686463 697516868 /nfs/dbraw/zinc/51/68/68/697516868.db2.gz PRECKCCVTACVQA-ZWKOTPCHSA-N 2 1 337.508 1.581 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000921435921 697611739 /nfs/dbraw/zinc/61/17/39/697611739.db2.gz KPXPYGOLYKCFID-COXVUDFISA-N 2 1 336.480 1.022 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000921435921 697611740 /nfs/dbraw/zinc/61/17/40/697611740.db2.gz KPXPYGOLYKCFID-COXVUDFISA-N 2 1 336.480 1.022 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921435921 697611741 /nfs/dbraw/zinc/61/17/41/697611741.db2.gz KPXPYGOLYKCFID-COXVUDFISA-N 2 1 336.480 1.022 20 0 EDADMP CC[C@H](C(=O)N1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1)[NH+](C)C ZINC000943263635 697983868 /nfs/dbraw/zinc/98/38/68/697983868.db2.gz OFDCJUOCQTWWIL-JKSUJKDBSA-N 2 1 349.479 1.029 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2c(C)noc2C)C1 ZINC000995038006 700195990 /nfs/dbraw/zinc/19/59/90/700195990.db2.gz OUXZXSGXGMYVHE-JKSUJKDBSA-N 2 1 345.447 1.871 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031730016 698064544 /nfs/dbraw/zinc/06/45/44/698064544.db2.gz YYGCVSZTRANWFA-MRXNPFEDSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031730016 698064548 /nfs/dbraw/zinc/06/45/48/698064548.db2.gz YYGCVSZTRANWFA-MRXNPFEDSA-N 2 1 334.464 1.509 20 0 EDADMP CCc1nocc1CN1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766468 699062660 /nfs/dbraw/zinc/06/26/60/699062660.db2.gz JLMIRPKEMVBGTL-SJLPKXTDSA-N 2 1 346.475 1.802 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766468 699062663 /nfs/dbraw/zinc/06/26/63/699062663.db2.gz JLMIRPKEMVBGTL-SJLPKXTDSA-N 2 1 346.475 1.802 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766468 699062664 /nfs/dbraw/zinc/06/26/64/699062664.db2.gz JLMIRPKEMVBGTL-SJLPKXTDSA-N 2 1 346.475 1.802 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031766553 699063563 /nfs/dbraw/zinc/06/35/63/699063563.db2.gz KWKFLSDNXXWBTE-HKUYNNGSSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001031766553 699063567 /nfs/dbraw/zinc/06/35/67/699063567.db2.gz KWKFLSDNXXWBTE-HKUYNNGSSA-N 2 1 342.487 1.955 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccn2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031767256 699071125 /nfs/dbraw/zinc/07/11/25/699071125.db2.gz URMSVUZXAULKTP-QZTJIDSGSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccn2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031767256 699071127 /nfs/dbraw/zinc/07/11/27/699071127.db2.gz URMSVUZXAULKTP-QZTJIDSGSA-N 2 1 328.460 1.647 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1nccn1C ZINC000939128053 699206197 /nfs/dbraw/zinc/20/61/97/699206197.db2.gz HCKPDAXAOXGQFZ-CABCVRRESA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000939136872 699223632 /nfs/dbraw/zinc/22/36/32/699223632.db2.gz CPIVSBITQCPKJT-RDJZCZTQSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939137100 699224062 /nfs/dbraw/zinc/22/40/62/699224062.db2.gz FGYIMZWDASHAAE-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000941615272 701597217 /nfs/dbraw/zinc/59/72/17/701597217.db2.gz UXMLIPRVOZZAKY-UHFFFAOYSA-N 2 1 348.535 1.513 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)n1 ZINC000939398852 699548078 /nfs/dbraw/zinc/54/80/78/699548078.db2.gz RVLOFCBUPUYEHN-NVXWUHKLSA-N 2 1 345.491 1.453 20 0 EDADMP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)cn1 ZINC000939757019 699923762 /nfs/dbraw/zinc/92/37/62/699923762.db2.gz WSKYXHMNFICTLJ-WMLDXEAASA-N 2 1 344.463 1.087 20 0 EDADMP Cn1cc(C[NH2+]C2(C)CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)nn1 ZINC000940159105 700291628 /nfs/dbraw/zinc/29/16/28/700291628.db2.gz BZJDGEQXJHQTND-INIZCTEOSA-N 2 1 348.495 1.160 20 0 EDADMP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000940178114 700311857 /nfs/dbraw/zinc/31/18/57/700311857.db2.gz CIRSHYBNTOBLPI-OAHLLOKOSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)Cn3c[nH+]cc3C)CC2)on1 ZINC000940214450 700354410 /nfs/dbraw/zinc/35/44/10/700354410.db2.gz NWBWVXGSENPUQZ-UHFFFAOYSA-N 2 1 331.420 1.659 20 0 EDADMP CCc1nnc(CN2CCC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000948244729 700456069 /nfs/dbraw/zinc/45/60/69/700456069.db2.gz JBBXQDIVRQHHEQ-GJZGRUSLSA-N 2 1 349.479 1.539 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940327710 700504733 /nfs/dbraw/zinc/50/47/33/700504733.db2.gz OZTAFBSMVGRVBT-DOTOQJQBSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000940327661 700504799 /nfs/dbraw/zinc/50/47/99/700504799.db2.gz MXWUWLBYTAEYJS-HOCLYGCPSA-N 2 1 345.491 1.453 20 0 EDADMP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000940327953 700504983 /nfs/dbraw/zinc/50/49/83/700504983.db2.gz ARFJBPRBMIXKPJ-RDJZCZTQSA-N 2 1 347.507 1.571 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1 ZINC000940327813 700505088 /nfs/dbraw/zinc/50/50/88/700505088.db2.gz VHYGIEYFRQDGPA-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1 ZINC000940329211 700508409 /nfs/dbraw/zinc/50/84/09/700508409.db2.gz RKJVPANVKGBRKU-TZMCWYRMSA-N 2 1 337.493 1.207 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1 ZINC000940461462 700664638 /nfs/dbraw/zinc/66/46/38/700664638.db2.gz CBAMUFBXNFPGPV-MRXNPFEDSA-N 2 1 334.464 1.589 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nc1 ZINC000940461683 700664834 /nfs/dbraw/zinc/66/48/34/700664834.db2.gz ICCNVDXWVIICAQ-HNNXBMFYSA-N 2 1 331.464 1.207 20 0 EDADMP Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621650 700782828 /nfs/dbraw/zinc/78/28/28/700782828.db2.gz UWBOULSCIAXZOK-HZPDHXFCSA-N 2 1 333.480 1.231 20 0 EDADMP Cn1nccc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621650 700782831 /nfs/dbraw/zinc/78/28/31/700782831.db2.gz UWBOULSCIAXZOK-HZPDHXFCSA-N 2 1 333.480 1.231 20 0 EDADMP Cn1nccc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621650 700782833 /nfs/dbraw/zinc/78/28/33/700782833.db2.gz UWBOULSCIAXZOK-HZPDHXFCSA-N 2 1 333.480 1.231 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CCF)CC2(C)C)n1 ZINC000940752453 700889976 /nfs/dbraw/zinc/88/99/76/700889976.db2.gz CTXORSYSWZPKCB-OAHLLOKOSA-N 2 1 339.459 1.245 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCF)CC2(C)C)n1 ZINC000940752453 700889977 /nfs/dbraw/zinc/88/99/77/700889977.db2.gz CTXORSYSWZPKCB-OAHLLOKOSA-N 2 1 339.459 1.245 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCOC)CC2(C)C)CC[N@H+]1C ZINC000940757175 700892477 /nfs/dbraw/zinc/89/24/77/700892477.db2.gz UNZFYUXUYLPTJV-ARFHVFGLSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CCOC)CC2(C)C)CC[NH+]1C ZINC000940757175 700892478 /nfs/dbraw/zinc/89/24/78/700892478.db2.gz UNZFYUXUYLPTJV-ARFHVFGLSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCOC)CC2(C)C)CC[NH+]1C ZINC000940757175 700892479 /nfs/dbraw/zinc/89/24/79/700892479.db2.gz UNZFYUXUYLPTJV-ARFHVFGLSA-N 2 1 325.497 1.580 20 0 EDADMP CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000940801889 700907322 /nfs/dbraw/zinc/90/73/22/700907322.db2.gz YQTOAIXELAFOMZ-SJORKVTESA-N 2 1 337.508 1.602 20 0 EDADMP CC1(C)C[NH+](CCO)CC[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000940801889 700907323 /nfs/dbraw/zinc/90/73/23/700907323.db2.gz YQTOAIXELAFOMZ-SJORKVTESA-N 2 1 337.508 1.602 20 0 EDADMP CC1(C)C[NH+](CCO)CC[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000940801889 700907324 /nfs/dbraw/zinc/90/73/24/700907324.db2.gz YQTOAIXELAFOMZ-SJORKVTESA-N 2 1 337.508 1.602 20 0 EDADMP CC1(C)C[N@@H+](C[C@@H]2CCOC2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000940865456 700947521 /nfs/dbraw/zinc/94/75/21/700947521.db2.gz ZFSMNWKMEPUXLM-DLBZAZTESA-N 2 1 349.519 1.868 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000940857760 700956343 /nfs/dbraw/zinc/95/63/43/700956343.db2.gz CRGDAZSUHOYVNI-IAGOWNOFSA-N 2 1 339.524 1.706 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940857760 700956345 /nfs/dbraw/zinc/95/63/45/700956345.db2.gz CRGDAZSUHOYVNI-IAGOWNOFSA-N 2 1 339.524 1.706 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940857760 700956347 /nfs/dbraw/zinc/95/63/47/700956347.db2.gz CRGDAZSUHOYVNI-IAGOWNOFSA-N 2 1 339.524 1.706 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](C[C@H](CC)OC)C2)C1 ZINC001031919226 701044429 /nfs/dbraw/zinc/04/44/29/701044429.db2.gz OZXWLAOEDYPHSK-SJORKVTESA-N 2 1 325.497 1.581 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C)[NH+]1CCCCCC1 ZINC000941074342 701101555 /nfs/dbraw/zinc/10/15/55/701101555.db2.gz BQSVSRQIONGABI-SJORKVTESA-N 2 1 339.524 1.850 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941093282 701137181 /nfs/dbraw/zinc/13/71/81/701137181.db2.gz MEWRAKMIYWBUOH-QAPCUYQASA-N 2 1 347.503 1.959 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)CC2(C)C)cc1 ZINC000941093578 701137647 /nfs/dbraw/zinc/13/76/47/701137647.db2.gz RIOQBUCMRGACMR-GOSISDBHSA-N 2 1 347.503 1.961 20 0 EDADMP Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941163097 701228101 /nfs/dbraw/zinc/22/81/01/701228101.db2.gz HDFZWZGYEJJFPP-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941163097 701228103 /nfs/dbraw/zinc/22/81/03/701228103.db2.gz HDFZWZGYEJJFPP-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1ccc(C[NH+]2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC000941163097 701228104 /nfs/dbraw/zinc/22/81/04/701228104.db2.gz HDFZWZGYEJJFPP-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1ccc(C[NH+]2CC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC000941163097 701228107 /nfs/dbraw/zinc/22/81/07/701228107.db2.gz HDFZWZGYEJJFPP-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP CC1(C)C[N@@H+](CC[C@@H]2CCCO2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166012 701377050 /nfs/dbraw/zinc/37/70/50/701377050.db2.gz DCPGTUXQIBZJLN-IRXDYDNUSA-N 2 1 349.519 1.868 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCOC)CC1(C)C ZINC000941238672 701429113 /nfs/dbraw/zinc/42/91/13/701429113.db2.gz ZMRWNJGENRSEPS-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCOC)CC1(C)C ZINC000941238672 701429114 /nfs/dbraw/zinc/42/91/14/701429114.db2.gz ZMRWNJGENRSEPS-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCOC)CC1(C)C ZINC000941238672 701429115 /nfs/dbraw/zinc/42/91/15/701429115.db2.gz ZMRWNJGENRSEPS-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1ncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC[C@@H]3C2)o1 ZINC000946518532 706604339 /nfs/dbraw/zinc/60/43/39/706604339.db2.gz VTSAYNMVRWNWQU-SOLBZPMBSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)CC[C@@H]3C2)o1 ZINC000946518532 706604343 /nfs/dbraw/zinc/60/43/43/706604343.db2.gz VTSAYNMVRWNWQU-SOLBZPMBSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)CC[C@@H]3C2)o1 ZINC000946518532 706604346 /nfs/dbraw/zinc/60/43/46/706604346.db2.gz VTSAYNMVRWNWQU-SOLBZPMBSA-N 2 1 346.475 1.748 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000941413126 701528215 /nfs/dbraw/zinc/52/82/15/701528215.db2.gz QRWWYMUDJYMLIB-SJLPKXTDSA-N 2 1 334.508 1.121 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000941413126 701528217 /nfs/dbraw/zinc/52/82/17/701528217.db2.gz QRWWYMUDJYMLIB-SJLPKXTDSA-N 2 1 334.508 1.121 20 0 EDADMP CC[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C)OC ZINC001032657847 706621864 /nfs/dbraw/zinc/62/18/64/706621864.db2.gz GVZYLDFVMYJHLG-HRCADAONSA-N 2 1 334.464 1.717 20 0 EDADMP CC[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C)OC ZINC001032657847 706621868 /nfs/dbraw/zinc/62/18/68/706621868.db2.gz GVZYLDFVMYJHLG-HRCADAONSA-N 2 1 334.464 1.717 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1C[NH+](C[C@@H]3CCCOC3)C1)C2 ZINC001031975746 701888591 /nfs/dbraw/zinc/88/85/91/701888591.db2.gz ZEXRBVHRNSTZHJ-DOTOQJQBSA-N 2 1 346.475 1.229 20 0 EDADMP Cc1nc[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2nccnc2C)C[C@H]1C ZINC000944442092 702021687 /nfs/dbraw/zinc/02/16/87/702021687.db2.gz BKXZNHRKVCBNLC-DOMZBBRYSA-N 2 1 342.447 1.386 20 0 EDADMP Cc1nc[nH]c1CC(=O)N[C@H]1CCN(Cc2nccnc2C)C[C@H]1C ZINC000944442092 702021691 /nfs/dbraw/zinc/02/16/91/702021691.db2.gz BKXZNHRKVCBNLC-DOMZBBRYSA-N 2 1 342.447 1.386 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)C(C)(C)C1 ZINC000995807349 702053881 /nfs/dbraw/zinc/05/38/81/702053881.db2.gz YAATZBOLYPCAMJ-HZPDHXFCSA-N 2 1 348.495 1.015 20 0 EDADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)C(C)(C)C ZINC000354657878 702055318 /nfs/dbraw/zinc/05/53/18/702055318.db2.gz YWTFMDMFXFRQCG-JKSUJKDBSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)o1 ZINC000995831620 702107098 /nfs/dbraw/zinc/10/70/98/702107098.db2.gz KRLMBAYPOSJJQX-DAXOMENPSA-N 2 1 334.464 1.650 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)nn1C ZINC000995831854 702107292 /nfs/dbraw/zinc/10/72/92/702107292.db2.gz LXBPURJELKXGCJ-DJIMGWMZSA-N 2 1 347.507 1.395 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCCc2ccsc2)C1 ZINC001031980611 702141721 /nfs/dbraw/zinc/14/17/21/702141721.db2.gz WQTDQHRSUKXGRR-WMLDXEAASA-N 2 1 335.517 1.926 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccnc2C)C1 ZINC001032206416 702146776 /nfs/dbraw/zinc/14/67/76/702146776.db2.gz ZRSLHWMDYHIDSI-SFHVURJKSA-N 2 1 330.476 1.812 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccnc2C)C1 ZINC001032206416 702146778 /nfs/dbraw/zinc/14/67/78/702146778.db2.gz ZRSLHWMDYHIDSI-SFHVURJKSA-N 2 1 330.476 1.812 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2CN(Cc3cc(Cl)ccc3F)C2)C1 ZINC001032183046 702153389 /nfs/dbraw/zinc/15/33/89/702153389.db2.gz YJPHJSIYVAHGSH-ZDUSSCGKSA-N 2 1 339.842 1.979 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnnn2C)C(C)(C)C1 ZINC000995887193 702225453 /nfs/dbraw/zinc/22/54/53/702225453.db2.gz PGGBFLKAYFSPLW-CVEARBPZSA-N 2 1 348.495 1.016 20 0 EDADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000995890405 702231378 /nfs/dbraw/zinc/23/13/78/702231378.db2.gz ATFRRPMUGRXSMH-IAGOWNOFSA-N 2 1 347.507 1.440 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ncccn2)C(C)(C)C1)C1CC1 ZINC000995890548 702231419 /nfs/dbraw/zinc/23/14/19/702231419.db2.gz BTFSBHSSZOHMJY-GOEBONIOSA-N 2 1 331.464 1.143 20 0 EDADMP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995917267 702235160 /nfs/dbraw/zinc/23/51/60/702235160.db2.gz UELFMIREMDUMCD-DOTOQJQBSA-N 2 1 347.507 1.621 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC001032186625 702277504 /nfs/dbraw/zinc/27/75/04/702277504.db2.gz ULQAEELINHATIV-GOSISDBHSA-N 2 1 343.471 1.164 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCc3ccc(Cl)cc3)C2)C1 ZINC001032185915 702311922 /nfs/dbraw/zinc/31/19/22/702311922.db2.gz FHZGRZYGPDVYFQ-MRXNPFEDSA-N 2 1 335.879 1.882 20 0 EDADMP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cscn2)C(C)(C)C1 ZINC000995981018 702339281 /nfs/dbraw/zinc/33/92/81/702339281.db2.gz MGSBWIMWKIOALX-LSDHHAIUSA-N 2 1 336.505 1.954 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cscn2)C(C)(C)C1 ZINC000995981018 702339286 /nfs/dbraw/zinc/33/92/86/702339286.db2.gz MGSBWIMWKIOALX-LSDHHAIUSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cncs2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170839 702415010 /nfs/dbraw/zinc/41/50/10/702415010.db2.gz VNHYRGINDVXPIA-UKRRQHHQSA-N 2 1 334.489 1.566 20 0 EDADMP CCc1cnc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)o1 ZINC000944151540 702434790 /nfs/dbraw/zinc/43/47/90/702434790.db2.gz ACSROZVELXVWEL-ZBFHGGJFSA-N 2 1 346.475 1.659 20 0 EDADMP CCc1cnc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)o1 ZINC000944151540 702434795 /nfs/dbraw/zinc/43/47/95/702434795.db2.gz ACSROZVELXVWEL-ZBFHGGJFSA-N 2 1 346.475 1.659 20 0 EDADMP Cc1cncc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)c1 ZINC000944155765 702449413 /nfs/dbraw/zinc/44/94/13/702449413.db2.gz QANVCRSRBVUOCS-AEFFLSMTSA-N 2 1 342.487 1.812 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@H]2CCCCO2)CC1 ZINC001032665867 706678735 /nfs/dbraw/zinc/67/87/35/706678735.db2.gz JRPRSXFPHFBOOT-GBESFXJTSA-N 2 1 349.519 1.963 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC000995209146 702679366 /nfs/dbraw/zinc/67/93/66/702679366.db2.gz ILWCVBMVKVEGQP-HZPDHXFCSA-N 2 1 342.447 1.365 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000996299743 702690686 /nfs/dbraw/zinc/69/06/86/702690686.db2.gz DLPQPAJBTGACGR-ZFWWWQNUSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)cn1 ZINC000996300044 702691074 /nfs/dbraw/zinc/69/10/74/702691074.db2.gz JDHOURLQQXTKTB-WMLDXEAASA-N 2 1 345.491 1.453 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)C1 ZINC000996300218 702691974 /nfs/dbraw/zinc/69/19/74/702691974.db2.gz KJNCVSLUJWALQV-NVXWUHKLSA-N 2 1 347.507 1.131 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)O)CC2 ZINC001040950924 702708157 /nfs/dbraw/zinc/70/81/57/702708157.db2.gz AZOINUGYHHLNBN-SJORKVTESA-N 2 1 337.508 1.556 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC000996465169 702792464 /nfs/dbraw/zinc/79/24/64/702792464.db2.gz RWDDHBHYDPCRCO-HNNXBMFYSA-N 2 1 349.479 1.585 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC000996465169 702792466 /nfs/dbraw/zinc/79/24/66/702792466.db2.gz RWDDHBHYDPCRCO-HNNXBMFYSA-N 2 1 349.479 1.585 20 0 EDADMP COCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434639 702841054 /nfs/dbraw/zinc/84/10/54/702841054.db2.gz DINBVZXGJMNAKT-MSOLQXFVSA-N 2 1 339.524 1.924 20 0 EDADMP COCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948434639 702841056 /nfs/dbraw/zinc/84/10/56/702841056.db2.gz DINBVZXGJMNAKT-MSOLQXFVSA-N 2 1 339.524 1.924 20 0 EDADMP COCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948434639 702841058 /nfs/dbraw/zinc/84/10/58/702841058.db2.gz DINBVZXGJMNAKT-MSOLQXFVSA-N 2 1 339.524 1.924 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3cnns3)C(C)(C)C2)C1 ZINC000996521294 702856895 /nfs/dbraw/zinc/85/68/95/702856895.db2.gz VFMQYBITSUMFJS-GXTWGEPZSA-N 2 1 337.493 1.207 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)o1 ZINC000996606380 702909720 /nfs/dbraw/zinc/90/97/20/702909720.db2.gz HFAZSLIIWNHDBE-MLGOLLRUSA-N 2 1 334.464 1.712 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000996665747 702968099 /nfs/dbraw/zinc/96/80/99/702968099.db2.gz ZFEMVILHBOTBQB-BBRMVZONSA-N 2 1 348.495 1.629 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996674720 702970006 /nfs/dbraw/zinc/97/00/06/702970006.db2.gz WATMCVPRWKCUCS-IAGOWNOFSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]Cc2cnn(C)n2)CC1 ZINC000996669593 702971341 /nfs/dbraw/zinc/97/13/41/702971341.db2.gz PNFFXMOGYHNVIP-KRWDZBQOSA-N 2 1 348.495 1.159 20 0 EDADMP Cn1cc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC2(C)C)nn1 ZINC000996671887 702972826 /nfs/dbraw/zinc/97/28/26/702972826.db2.gz PBESXOWPLYTWDW-INIZCTEOSA-N 2 1 348.495 1.018 20 0 EDADMP Cc1nocc1C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000996688256 702985772 /nfs/dbraw/zinc/98/57/72/702985772.db2.gz HKBAROBIGDRUNT-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996692862 702990256 /nfs/dbraw/zinc/99/02/56/702990256.db2.gz ZLFLHOBRKDMWMR-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC000996717674 703011220 /nfs/dbraw/zinc/01/12/20/703011220.db2.gz BVCJVJYVLCSWCH-INIZCTEOSA-N 2 1 331.464 1.350 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCC3CCCC3)CC2)O1 ZINC000996721088 703016286 /nfs/dbraw/zinc/01/62/86/703016286.db2.gz WVKWGXBCMMHXFW-CRAIPNDOSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CCC3CCCC3)CC2)O1 ZINC000996721088 703016289 /nfs/dbraw/zinc/01/62/89/703016289.db2.gz WVKWGXBCMMHXFW-CRAIPNDOSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCOC2CCC2)C1 ZINC001032027077 703046648 /nfs/dbraw/zinc/04/66/48/703046648.db2.gz MWIONZFLGYKPNP-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)on1 ZINC000942596464 703110867 /nfs/dbraw/zinc/11/08/67/703110867.db2.gz AWGQPLCYTAKOBO-GUYCJALGSA-N 2 1 334.464 1.651 20 0 EDADMP CCc1cnc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000942596741 703111110 /nfs/dbraw/zinc/11/11/10/703111110.db2.gz FJAWSORLPPHZNU-YOEHRIQHSA-N 2 1 348.491 1.905 20 0 EDADMP CCc1cnc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000942596741 703111111 /nfs/dbraw/zinc/11/11/11/703111111.db2.gz FJAWSORLPPHZNU-YOEHRIQHSA-N 2 1 348.491 1.905 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597982 703112701 /nfs/dbraw/zinc/11/27/01/703112701.db2.gz PDXOVXUKUMOXTR-YOEHRIQHSA-N 2 1 345.491 1.453 20 0 EDADMP CN1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCCCC2)C1 ZINC001032331925 703113205 /nfs/dbraw/zinc/11/32/05/703113205.db2.gz MUHYKQUEPXDHQH-GBESFXJTSA-N 2 1 349.519 1.963 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042965 703211168 /nfs/dbraw/zinc/21/11/68/703211168.db2.gz PWYOGFCDQSKWQR-IAGOWNOFSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032042965 703211169 /nfs/dbraw/zinc/21/11/69/703211169.db2.gz PWYOGFCDQSKWQR-IAGOWNOFSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000996976048 703241158 /nfs/dbraw/zinc/24/11/58/703241158.db2.gz APJOARUSVVSLMQ-GDBMZVCRSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000996976048 703241160 /nfs/dbraw/zinc/24/11/60/703241160.db2.gz APJOARUSVVSLMQ-GDBMZVCRSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cncc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)c1 ZINC000996995834 703252734 /nfs/dbraw/zinc/25/27/34/703252734.db2.gz RSBLACXTMBQOHZ-INIZCTEOSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)oc1C ZINC000996995818 703252906 /nfs/dbraw/zinc/25/29/06/703252906.db2.gz RAKZWVPFGNHALD-CYBMUJFWSA-N 2 1 334.464 1.856 20 0 EDADMP CCc1noc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000996998534 703255385 /nfs/dbraw/zinc/25/53/85/703255385.db2.gz KLPKXPUUTMSTBK-KBPBESRZSA-N 2 1 349.479 1.758 20 0 EDADMP CCc1noc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000996998534 703255387 /nfs/dbraw/zinc/25/53/87/703255387.db2.gz KLPKXPUUTMSTBK-KBPBESRZSA-N 2 1 349.479 1.758 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]CCC3CCOCC3)CC2)C1 ZINC000997009305 703270092 /nfs/dbraw/zinc/27/00/92/703270092.db2.gz ZNJBDHLBKVEHMY-INIZCTEOSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000997062303 703313437 /nfs/dbraw/zinc/31/34/37/703313437.db2.gz MNJCXJSIYARTQJ-QGZVFWFLSA-N 2 1 348.495 1.159 20 0 EDADMP CCN1CC[NH+](CCCC[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921529213 703389411 /nfs/dbraw/zinc/38/94/11/703389411.db2.gz YVSNFKWQRHGJLH-UHFFFAOYSA-N 2 1 344.301 1.680 20 0 EDADMP Cc1ccncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032407098 703432281 /nfs/dbraw/zinc/43/22/81/703432281.db2.gz BWUNXULNMWVNLD-GBESFXJTSA-N 2 1 340.471 1.517 20 0 EDADMP Cc1ccncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032407098 703432282 /nfs/dbraw/zinc/43/22/82/703432282.db2.gz BWUNXULNMWVNLD-GBESFXJTSA-N 2 1 340.471 1.517 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997187964 703477592 /nfs/dbraw/zinc/47/75/92/703477592.db2.gz YCHVJGBMKUNYCL-CYBMUJFWSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997187964 703477594 /nfs/dbraw/zinc/47/75/94/703477594.db2.gz YCHVJGBMKUNYCL-CYBMUJFWSA-N 2 1 335.452 1.054 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3nc(CC4CC4)no3)CC2)C1 ZINC000997299931 703557047 /nfs/dbraw/zinc/55/70/47/703557047.db2.gz RTDLCUOXYZHTLP-CQSZACIVSA-N 2 1 347.463 1.054 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3nc(CC4CC4)no3)CC2)C1 ZINC000997299931 703557048 /nfs/dbraw/zinc/55/70/48/703557048.db2.gz RTDLCUOXYZHTLP-CQSZACIVSA-N 2 1 347.463 1.054 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2cnccc2C)CC1 ZINC000997308191 703566188 /nfs/dbraw/zinc/56/61/88/703566188.db2.gz CFHRPHXYKZMIQO-UHFFFAOYSA-N 2 1 327.432 1.676 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000997367201 703601437 /nfs/dbraw/zinc/60/14/37/703601437.db2.gz XHCIRMOINZBTHQ-HNNXBMFYSA-N 2 1 337.493 1.493 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000997367201 703601439 /nfs/dbraw/zinc/60/14/39/703601439.db2.gz XHCIRMOINZBTHQ-HNNXBMFYSA-N 2 1 337.493 1.493 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(F)(F)C1)C1CCC1 ZINC001032447973 703631448 /nfs/dbraw/zinc/63/14/48/703631448.db2.gz GTKAKOBJAXHCBM-GJZGRUSLSA-N 2 1 327.419 1.801 20 0 EDADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(F)(F)C1)C1CCC1 ZINC001032447973 703631449 /nfs/dbraw/zinc/63/14/49/703631449.db2.gz GTKAKOBJAXHCBM-GJZGRUSLSA-N 2 1 327.419 1.801 20 0 EDADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(F)(F)C1)C1CCC1 ZINC001032447973 703631451 /nfs/dbraw/zinc/63/14/51/703631451.db2.gz GTKAKOBJAXHCBM-GJZGRUSLSA-N 2 1 327.419 1.801 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997421118 703670731 /nfs/dbraw/zinc/67/07/31/703670731.db2.gz NWSSGLKLMQYCGM-ZBFHGGJFSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1ncsc1CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001032480331 703721442 /nfs/dbraw/zinc/72/14/42/703721442.db2.gz XIDABSJXOUVCCF-JYJNAYRXSA-N 2 1 348.516 1.763 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001032480331 703721444 /nfs/dbraw/zinc/72/14/44/703721444.db2.gz XIDABSJXOUVCCF-JYJNAYRXSA-N 2 1 348.516 1.763 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001032480331 703721446 /nfs/dbraw/zinc/72/14/46/703721446.db2.gz XIDABSJXOUVCCF-JYJNAYRXSA-N 2 1 348.516 1.763 20 0 EDADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001032480331 703721447 /nfs/dbraw/zinc/72/14/47/703721447.db2.gz XIDABSJXOUVCCF-JYJNAYRXSA-N 2 1 348.516 1.763 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000997606496 703899531 /nfs/dbraw/zinc/89/95/31/703899531.db2.gz LQQDSEFSJBVFPN-KRWDZBQOSA-N 2 1 334.439 1.643 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997642059 703947969 /nfs/dbraw/zinc/94/79/69/703947969.db2.gz MEYIRCVCGRLYOX-MAUKXSAKSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997642059 703947971 /nfs/dbraw/zinc/94/79/71/703947971.db2.gz MEYIRCVCGRLYOX-MAUKXSAKSA-N 2 1 347.507 1.621 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC001004208475 703969312 /nfs/dbraw/zinc/96/93/12/703969312.db2.gz PQZMBUBFFWWJMJ-SFHVURJKSA-N 2 1 347.507 1.684 20 0 EDADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032530908 704036509 /nfs/dbraw/zinc/03/65/09/704036509.db2.gz XIWZSFJHNCFZDU-XRGNVEDSSA-N 2 1 347.503 1.571 20 0 EDADMP CCC(CC)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001032530908 704036516 /nfs/dbraw/zinc/03/65/16/704036516.db2.gz XIWZSFJHNCFZDU-XRGNVEDSSA-N 2 1 347.503 1.571 20 0 EDADMP CCC(CC)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032530908 704036521 /nfs/dbraw/zinc/03/65/21/704036521.db2.gz XIWZSFJHNCFZDU-XRGNVEDSSA-N 2 1 347.503 1.571 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000999303726 706797347 /nfs/dbraw/zinc/79/73/47/706797347.db2.gz ITWIYVAJJMLRRU-HUUCEWRRSA-N 2 1 334.468 1.068 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000999303726 706797348 /nfs/dbraw/zinc/79/73/48/706797348.db2.gz ITWIYVAJJMLRRU-HUUCEWRRSA-N 2 1 334.468 1.068 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000999303722 706797373 /nfs/dbraw/zinc/79/73/73/706797373.db2.gz ITWIYVAJJMLRRU-GJZGRUSLSA-N 2 1 334.468 1.068 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000999303722 706797376 /nfs/dbraw/zinc/79/73/76/706797376.db2.gz ITWIYVAJJMLRRU-GJZGRUSLSA-N 2 1 334.468 1.068 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCc3ccnn3C)C2)CC[N@H+]1C ZINC001033099945 704224713 /nfs/dbraw/zinc/22/47/13/704224713.db2.gz TUXAESKYVUXYCC-FGTMMUONSA-N 2 1 347.507 1.226 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCc3ccnn3C)C2)CC[NH+]1C ZINC001033099945 704224715 /nfs/dbraw/zinc/22/47/15/704224715.db2.gz TUXAESKYVUXYCC-FGTMMUONSA-N 2 1 347.507 1.226 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCc3ccnn3C)C2)CC[NH+]1C ZINC001033099945 704224716 /nfs/dbraw/zinc/22/47/16/704224716.db2.gz TUXAESKYVUXYCC-FGTMMUONSA-N 2 1 347.507 1.226 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592297 704242762 /nfs/dbraw/zinc/24/27/62/704242762.db2.gz GUABXZVRVRQEFO-FCGDIQPGSA-N 2 1 349.519 1.678 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946592297 704242763 /nfs/dbraw/zinc/24/27/63/704242763.db2.gz GUABXZVRVRQEFO-FCGDIQPGSA-N 2 1 349.519 1.678 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946592297 704242765 /nfs/dbraw/zinc/24/27/65/704242765.db2.gz GUABXZVRVRQEFO-FCGDIQPGSA-N 2 1 349.519 1.678 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CCC3CC3)CC2)C1 ZINC001004380735 704346592 /nfs/dbraw/zinc/34/65/92/704346592.db2.gz PEUNKNOTTXSOIP-MOPGFXCFSA-N 2 1 349.519 1.820 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CCC3CC3)CC2)C1 ZINC001004380735 704346594 /nfs/dbraw/zinc/34/65/94/704346594.db2.gz PEUNKNOTTXSOIP-MOPGFXCFSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CCC3CC3)CC2)C1 ZINC001004380735 704346596 /nfs/dbraw/zinc/34/65/96/704346596.db2.gz PEUNKNOTTXSOIP-MOPGFXCFSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CCC3CC3)CC2)C1 ZINC001004380735 704346598 /nfs/dbraw/zinc/34/65/98/704346598.db2.gz PEUNKNOTTXSOIP-MOPGFXCFSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2(C)C)c1 ZINC000995593508 704560116 /nfs/dbraw/zinc/56/01/16/704560116.db2.gz ZMGBGYXGZOUQOM-ZWKOTPCHSA-N 2 1 345.487 1.652 20 0 EDADMP Cc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2(C)C)c1 ZINC000995593508 704560117 /nfs/dbraw/zinc/56/01/17/704560117.db2.gz ZMGBGYXGZOUQOM-ZWKOTPCHSA-N 2 1 345.487 1.652 20 0 EDADMP CC[C@@H](C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC000997708505 704599748 /nfs/dbraw/zinc/59/97/48/704599748.db2.gz QXHOVHCTRRQLSG-BHYGNILZSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3nonc3C)CC2)CC[N@H+]1C ZINC000997792061 704700365 /nfs/dbraw/zinc/70/03/65/704700365.db2.gz FORQUGLELGWROV-DOTOQJQBSA-N 2 1 349.479 1.437 20 0 EDADMP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2cnns2)CC1 ZINC000997836404 704753806 /nfs/dbraw/zinc/75/38/06/704753806.db2.gz JVUVDSUOKHFZQY-ZDUSSCGKSA-N 2 1 349.504 1.351 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)nc1 ZINC000997864827 704772022 /nfs/dbraw/zinc/77/20/22/704772022.db2.gz AQHGMHOGRRVZRU-RDJZCZTQSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)nc1 ZINC000997864827 704772023 /nfs/dbraw/zinc/77/20/23/704772023.db2.gz AQHGMHOGRRVZRU-RDJZCZTQSA-N 2 1 345.491 1.453 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000997866993 704772110 /nfs/dbraw/zinc/77/21/10/704772110.db2.gz YAZTXZGHCMXQGK-OAHLLOKOSA-N 2 1 336.505 1.956 20 0 EDADMP CCn1nncc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997866377 704772969 /nfs/dbraw/zinc/77/29/69/704772969.db2.gz SJOBQWZCNWQLFV-KRWDZBQOSA-N 2 1 348.495 1.111 20 0 EDADMP COc1ccnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)c1 ZINC000944944317 704797253 /nfs/dbraw/zinc/79/72/53/704797253.db2.gz MPMZYKUGZIJOFA-QAPCUYQASA-N 2 1 346.475 1.513 20 0 EDADMP CCc1nnc(CN2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944963469 704829175 /nfs/dbraw/zinc/82/91/75/704829175.db2.gz ALKWCBIBXOGDRB-OCCSQVGLSA-N 2 1 346.435 1.164 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CC(OCC)C2)CC1 ZINC000948634013 704992940 /nfs/dbraw/zinc/99/29/40/704992940.db2.gz JETIHKNQWTWEJJ-ABHNRTSZSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CC(OCC)C2)CC1 ZINC000948634013 704992941 /nfs/dbraw/zinc/99/29/41/704992941.db2.gz JETIHKNQWTWEJJ-ABHNRTSZSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@H]2CCCCO2)CC[N@H+]1C ZINC001032587181 705105364 /nfs/dbraw/zinc/10/53/64/705105364.db2.gz OQWBVGJNFCXWNB-VPAKFMSCSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@H]2CCCCO2)CC[NH+]1C ZINC001032587181 705105366 /nfs/dbraw/zinc/10/53/66/705105366.db2.gz OQWBVGJNFCXWNB-VPAKFMSCSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@H]2CCCCO2)CC[NH+]1C ZINC001032587181 705105368 /nfs/dbraw/zinc/10/53/68/705105368.db2.gz OQWBVGJNFCXWNB-VPAKFMSCSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC3CCC3)CC2)C1 ZINC000998007908 705173509 /nfs/dbraw/zinc/17/35/09/705173509.db2.gz DIUGVKVTHQTUGZ-SFHVURJKSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC3CCC3)CC2)C1 ZINC000998007908 705173514 /nfs/dbraw/zinc/17/35/14/705173514.db2.gz DIUGVKVTHQTUGZ-SFHVURJKSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nc(CNCC2CCN(C(=O)CCc3cncn3C)CC2)co1 ZINC000998254356 705610768 /nfs/dbraw/zinc/61/07/68/705610768.db2.gz LYVWHILTXYDTLL-UHFFFAOYSA-N 2 1 345.447 1.678 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC000998265418 705632398 /nfs/dbraw/zinc/63/23/98/705632398.db2.gz MGPQYRFNNOAMNK-ZBFHGGJFSA-N 2 1 331.464 1.318 20 0 EDADMP Cc1nnsc1C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000998269934 705647481 /nfs/dbraw/zinc/64/74/81/705647481.db2.gz RJBNAWVQAKKSCL-UHFFFAOYSA-N 2 1 348.476 1.380 20 0 EDADMP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001032628106 705740701 /nfs/dbraw/zinc/74/07/01/705740701.db2.gz QIBMGUXJDWQUSF-JLSDUUJJSA-N 2 1 345.491 1.127 20 0 EDADMP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001032628106 705740703 /nfs/dbraw/zinc/74/07/03/705740703.db2.gz QIBMGUXJDWQUSF-JLSDUUJJSA-N 2 1 345.491 1.127 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@@H](C)C2)n1 ZINC001032628106 705740704 /nfs/dbraw/zinc/74/07/04/705740704.db2.gz QIBMGUXJDWQUSF-JLSDUUJJSA-N 2 1 345.491 1.127 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@@H](C)C2)n1 ZINC001032628106 705740706 /nfs/dbraw/zinc/74/07/06/705740706.db2.gz QIBMGUXJDWQUSF-JLSDUUJJSA-N 2 1 345.491 1.127 20 0 EDADMP CCOC1CC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001032629388 705751101 /nfs/dbraw/zinc/75/11/01/705751101.db2.gz UIPFMKUSVHCDFN-SAGYGOJTSA-N 2 1 349.519 1.819 20 0 EDADMP CCOC1CC(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001032629388 705751104 /nfs/dbraw/zinc/75/11/04/705751104.db2.gz UIPFMKUSVHCDFN-SAGYGOJTSA-N 2 1 349.519 1.819 20 0 EDADMP CCOC1CC(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001032629388 705751107 /nfs/dbraw/zinc/75/11/07/705751107.db2.gz UIPFMKUSVHCDFN-SAGYGOJTSA-N 2 1 349.519 1.819 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(C)n1 ZINC000998719550 706151201 /nfs/dbraw/zinc/15/12/01/706151201.db2.gz GUZXIAJLJZZLEK-MSOLQXFVSA-N 2 1 330.476 1.873 20 0 EDADMP CCc1onc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998731335 706164379 /nfs/dbraw/zinc/16/43/79/706164379.db2.gz NZTHUFPKUSLLAA-GDBMZVCRSA-N 2 1 334.464 1.720 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nn1C ZINC000998763203 706202333 /nfs/dbraw/zinc/20/23/33/706202333.db2.gz MHGFWPRXXCYQTQ-VJFUWPCTSA-N 2 1 347.507 1.680 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nccn3CC)C2)CC[N@H+]1C ZINC000998794922 706241824 /nfs/dbraw/zinc/24/18/24/706241824.db2.gz TULHMBSWSLWGMB-SJJHQCBESA-N 2 1 347.507 1.712 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3nnc(C4CC4)o3)C2)CC[N@@H+]1C ZINC000998796361 706243146 /nfs/dbraw/zinc/24/31/46/706243146.db2.gz MIDHJPFTTAGLFU-GALLPEHLSA-N 2 1 347.463 1.366 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3nnc(C4CC4)o3)C2)CC[N@H+]1C ZINC000998796361 706243148 /nfs/dbraw/zinc/24/31/48/706243148.db2.gz MIDHJPFTTAGLFU-GALLPEHLSA-N 2 1 347.463 1.366 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000998864860 706294287 /nfs/dbraw/zinc/29/42/87/706294287.db2.gz CMAZEUSZEDVPHC-VMWRSERWSA-N 2 1 347.507 1.682 20 0 EDADMP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)C1CC([NH2+]Cc2nccn2C)C1 ZINC000998900884 706337549 /nfs/dbraw/zinc/33/75/49/706337549.db2.gz IRKMSZWDSZVINC-NRXISQOPSA-N 2 1 342.447 1.273 20 0 EDADMP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998902033 706338554 /nfs/dbraw/zinc/33/85/54/706338554.db2.gz QPYPNQRATDYFFW-GPANFISMSA-N 2 1 342.447 1.273 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2cnn(C)n2)C1 ZINC000999036240 706451155 /nfs/dbraw/zinc/45/11/55/706451155.db2.gz QJYNRPRXMXQEJJ-BDVYOWHSSA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000999036240 706451156 /nfs/dbraw/zinc/45/11/56/706451156.db2.gz QJYNRPRXMXQEJJ-BDVYOWHSSA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000999036240 706451158 /nfs/dbraw/zinc/45/11/58/706451158.db2.gz QJYNRPRXMXQEJJ-BDVYOWHSSA-N 2 1 348.495 1.015 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946517911 706554892 /nfs/dbraw/zinc/55/48/92/706554892.db2.gz MBFOERVUPPTXPH-BDXSIMOUSA-N 2 1 335.492 1.288 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946517911 706554893 /nfs/dbraw/zinc/55/48/93/706554893.db2.gz MBFOERVUPPTXPH-BDXSIMOUSA-N 2 1 335.492 1.288 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946517911 706554895 /nfs/dbraw/zinc/55/48/95/706554895.db2.gz MBFOERVUPPTXPH-BDXSIMOUSA-N 2 1 335.492 1.288 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]2CC1 ZINC000946518040 706555054 /nfs/dbraw/zinc/55/50/54/706555054.db2.gz MVQZZJZPYYUMQV-UXLLHSPISA-N 2 1 332.448 1.439 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]2CC1 ZINC000946518040 706555058 /nfs/dbraw/zinc/55/50/58/706555058.db2.gz MVQZZJZPYYUMQV-UXLLHSPISA-N 2 1 332.448 1.439 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]2CC1 ZINC000946518040 706555062 /nfs/dbraw/zinc/55/50/62/706555062.db2.gz MVQZZJZPYYUMQV-UXLLHSPISA-N 2 1 332.448 1.439 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC000999355826 706845960 /nfs/dbraw/zinc/84/59/60/706845960.db2.gz XVQYUADLIUUYTG-GOEBONIOSA-N 2 1 335.452 1.413 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC000999355826 706845962 /nfs/dbraw/zinc/84/59/62/706845962.db2.gz XVQYUADLIUUYTG-GOEBONIOSA-N 2 1 335.452 1.413 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)c(C)o1 ZINC000999378174 706872471 /nfs/dbraw/zinc/87/24/71/706872471.db2.gz XUSUUHVJVHRFDT-DOTOQJQBSA-N 2 1 334.464 1.712 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)o1 ZINC000999363123 706877068 /nfs/dbraw/zinc/87/70/68/706877068.db2.gz FZHBZLHUEQGRTK-OAHLLOKOSA-N 2 1 334.464 1.856 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1)C1CCC1 ZINC000999372566 706887121 /nfs/dbraw/zinc/88/71/21/706887121.db2.gz CIASUBSSNDSIRS-HNNXBMFYSA-N 2 1 345.491 1.394 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)on1 ZINC000999398344 706892888 /nfs/dbraw/zinc/89/28/88/706892888.db2.gz COZSQZFCYPUCFH-HZPDHXFCSA-N 2 1 334.464 1.938 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999404378 706912853 /nfs/dbraw/zinc/91/28/53/706912853.db2.gz VZFXPQNTDRPXRQ-UHFFFAOYSA-N 2 1 333.480 1.231 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)o1 ZINC000999404677 706913817 /nfs/dbraw/zinc/91/38/17/706913817.db2.gz YRWWZSKSEGWTLF-WLYUNCDWSA-N 2 1 349.479 1.614 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)o1 ZINC000999404677 706913819 /nfs/dbraw/zinc/91/38/19/706913819.db2.gz YRWWZSKSEGWTLF-WLYUNCDWSA-N 2 1 349.479 1.614 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3nnc(C4CC4)[nH]3)C2)C1 ZINC000999409897 706919851 /nfs/dbraw/zinc/91/98/51/706919851.db2.gz USVAHSZUXLCHQB-GRTSSRMGSA-N 2 1 346.479 1.103 20 0 EDADMP COc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999506408 707003802 /nfs/dbraw/zinc/00/38/02/707003802.db2.gz AOGGPWKKTXSUCI-SJORKVTESA-N 2 1 346.475 1.655 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000999506455 707004079 /nfs/dbraw/zinc/00/40/79/707004079.db2.gz AUOOYACVRYJXIL-ZBFHGGJFSA-N 2 1 336.505 1.751 20 0 EDADMP C[C@H]([NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1)c1ncccn1 ZINC000999509980 707008319 /nfs/dbraw/zinc/00/83/19/707008319.db2.gz SVGGBYVCKYIXNU-OOHWJJMZSA-N 2 1 345.491 1.849 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)nc1 ZINC000999510466 707008701 /nfs/dbraw/zinc/00/87/01/707008701.db2.gz WTSFALSQBMVCHE-UHFFFAOYSA-N 2 1 345.491 1.596 20 0 EDADMP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000999511998 707010471 /nfs/dbraw/zinc/01/04/71/707010471.db2.gz OOSAQYCBPQAFMO-IAGOWNOFSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999512412 707010957 /nfs/dbraw/zinc/01/09/57/707010957.db2.gz PPHRNNDTLPRIPU-MSOLQXFVSA-N 2 1 347.507 1.565 20 0 EDADMP Cn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC000999515138 707014592 /nfs/dbraw/zinc/01/45/92/707014592.db2.gz XRTKAQHDIWEFFO-IRXDYDNUSA-N 2 1 333.480 1.028 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC000999597533 707100268 /nfs/dbraw/zinc/10/02/68/707100268.db2.gz QCLCELZOMFQVEX-HNNXBMFYSA-N 2 1 346.479 1.007 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999681507 707166744 /nfs/dbraw/zinc/16/67/44/707166744.db2.gz HJTIXYGXOHRPKI-ODIFPOPNSA-N 2 1 333.480 1.149 20 0 EDADMP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999681443 707166803 /nfs/dbraw/zinc/16/68/03/707166803.db2.gz GLTUIIYIOFXEJI-ZLPCBKJTSA-N 2 1 330.476 1.811 20 0 EDADMP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC000999689324 707245257 /nfs/dbraw/zinc/24/52/57/707245257.db2.gz RNEPXCDIVBEHTF-QQFBHYJXSA-N 2 1 348.491 1.966 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000999726676 707268976 /nfs/dbraw/zinc/26/89/76/707268976.db2.gz ORXQPGVPBWXCGO-KRWDZBQOSA-N 2 1 334.464 1.589 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033265433 707288675 /nfs/dbraw/zinc/28/86/75/707288675.db2.gz HDSYGICOGCOQED-ZWKOTPCHSA-N 2 1 348.491 1.665 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033265433 707288678 /nfs/dbraw/zinc/28/86/78/707288678.db2.gz HDSYGICOGCOQED-ZWKOTPCHSA-N 2 1 348.491 1.665 20 0 EDADMP CO[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1)C1CCCC1 ZINC001033267008 707295578 /nfs/dbraw/zinc/29/55/78/707295578.db2.gz SGZDOWXOGSKMPI-ZWKOTPCHSA-N 2 1 348.491 1.929 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1)C1CCCC1 ZINC001033267008 707295582 /nfs/dbraw/zinc/29/55/82/707295582.db2.gz SGZDOWXOGSKMPI-ZWKOTPCHSA-N 2 1 348.491 1.929 20 0 EDADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033271723 707325114 /nfs/dbraw/zinc/32/51/14/707325114.db2.gz KKHOFSXNCFLGAF-PBHICJAKSA-N 2 1 328.416 1.517 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033180086 707337851 /nfs/dbraw/zinc/33/78/51/707337851.db2.gz CXYWEFSROPPHCF-KRWDZBQOSA-N 2 1 349.519 1.964 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033296421 707405802 /nfs/dbraw/zinc/40/58/02/707405802.db2.gz UCOACUZWIWRZMJ-OALUTQOASA-N 2 1 342.487 1.989 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033296421 707405806 /nfs/dbraw/zinc/40/58/06/707405806.db2.gz UCOACUZWIWRZMJ-OALUTQOASA-N 2 1 342.487 1.989 20 0 EDADMP CCn1cc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)nn1 ZINC000999886441 707475973 /nfs/dbraw/zinc/47/59/73/707475973.db2.gz WIDGCHZYVOPFOP-OAHLLOKOSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC000999975505 707589666 /nfs/dbraw/zinc/58/96/66/707589666.db2.gz UCFYTIKSQQRVJO-IAGOWNOFSA-N 2 1 347.507 1.623 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCn3cccn3)C2)C1 ZINC001033354004 707609474 /nfs/dbraw/zinc/60/94/74/707609474.db2.gz LKPBCWKKBKZKKF-QZTJIDSGSA-N 2 1 347.507 1.538 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCn3cccn3)C2)C1 ZINC001033354004 707609476 /nfs/dbraw/zinc/60/94/76/707609476.db2.gz LKPBCWKKBKZKKF-QZTJIDSGSA-N 2 1 347.507 1.538 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCn3cccn3)C2)C1 ZINC001033354004 707609479 /nfs/dbraw/zinc/60/94/79/707609479.db2.gz LKPBCWKKBKZKKF-QZTJIDSGSA-N 2 1 347.507 1.538 20 0 EDADMP CCc1nc(NC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc(C)[nH+]1 ZINC001060895210 707654481 /nfs/dbraw/zinc/65/44/81/707654481.db2.gz ZOLNSCZZQFFQRP-HOTGVXAUSA-N 2 1 345.491 1.950 20 0 EDADMP CCc1nc(NC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc(C)[nH+]1 ZINC001060895210 707654483 /nfs/dbraw/zinc/65/44/83/707654483.db2.gz ZOLNSCZZQFFQRP-HOTGVXAUSA-N 2 1 345.491 1.950 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001033365376 707659126 /nfs/dbraw/zinc/65/91/26/707659126.db2.gz FNSURFJUCVOTFN-DOTOQJQBSA-N 2 1 349.475 1.914 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001033365376 707659131 /nfs/dbraw/zinc/65/91/31/707659131.db2.gz FNSURFJUCVOTFN-DOTOQJQBSA-N 2 1 349.475 1.914 20 0 EDADMP CC[N@H+]1CC[C@H](n2cc(CNC(=O)C34CCC[NH+](CCC3)C4)nn2)C1 ZINC000999991867 707667904 /nfs/dbraw/zinc/66/79/04/707667904.db2.gz LXPUWVAAMGIAPM-INIZCTEOSA-N 2 1 346.479 1.037 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)on1 ZINC001033359661 707674851 /nfs/dbraw/zinc/67/48/51/707674851.db2.gz APPQEVUKWFQOGN-JYJNAYRXSA-N 2 1 334.464 1.746 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)on1 ZINC001033359661 707674852 /nfs/dbraw/zinc/67/48/52/707674852.db2.gz APPQEVUKWFQOGN-JYJNAYRXSA-N 2 1 334.464 1.746 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)on1 ZINC001033359661 707674853 /nfs/dbraw/zinc/67/48/53/707674853.db2.gz APPQEVUKWFQOGN-JYJNAYRXSA-N 2 1 334.464 1.746 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)on1 ZINC001033359661 707674854 /nfs/dbraw/zinc/67/48/54/707674854.db2.gz APPQEVUKWFQOGN-JYJNAYRXSA-N 2 1 334.464 1.746 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cn1 ZINC001033357765 707676317 /nfs/dbraw/zinc/67/63/17/707676317.db2.gz CGRFTXMXGDJVFM-JCGIZDLHSA-N 2 1 345.491 1.548 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC001033357765 707676320 /nfs/dbraw/zinc/67/63/20/707676320.db2.gz CGRFTXMXGDJVFM-JCGIZDLHSA-N 2 1 345.491 1.548 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)cn1 ZINC001033357765 707676323 /nfs/dbraw/zinc/67/63/23/707676323.db2.gz CGRFTXMXGDJVFM-JCGIZDLHSA-N 2 1 345.491 1.548 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)cn1 ZINC001033357765 707676325 /nfs/dbraw/zinc/67/63/25/707676325.db2.gz CGRFTXMXGDJVFM-JCGIZDLHSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213563 707708935 /nfs/dbraw/zinc/70/89/35/707708935.db2.gz LGPXRODMWRYOTI-GOEBONIOSA-N 2 1 343.431 1.053 20 0 EDADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213563 707708940 /nfs/dbraw/zinc/70/89/40/707708940.db2.gz LGPXRODMWRYOTI-GOEBONIOSA-N 2 1 343.431 1.053 20 0 EDADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213566 707709152 /nfs/dbraw/zinc/70/91/52/707709152.db2.gz LGPXRODMWRYOTI-ZBFHGGJFSA-N 2 1 343.431 1.053 20 0 EDADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213566 707709157 /nfs/dbraw/zinc/70/91/57/707709157.db2.gz LGPXRODMWRYOTI-ZBFHGGJFSA-N 2 1 343.431 1.053 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@@H](O)c2ccccc2)C1 ZINC001032731185 707732083 /nfs/dbraw/zinc/73/20/83/707732083.db2.gz CSVJZXPNVHYJCQ-DSLXNQLJSA-N 2 1 343.471 1.347 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](O)c2ccccc2)C1 ZINC001032731185 707732087 /nfs/dbraw/zinc/73/20/87/707732087.db2.gz CSVJZXPNVHYJCQ-DSLXNQLJSA-N 2 1 343.471 1.347 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H](O)c2ccccc2)C1 ZINC001032731185 707732091 /nfs/dbraw/zinc/73/20/91/707732091.db2.gz CSVJZXPNVHYJCQ-DSLXNQLJSA-N 2 1 343.471 1.347 20 0 EDADMP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001032733898 707748356 /nfs/dbraw/zinc/74/83/56/707748356.db2.gz LZYGUFRNXHQYEK-OKZBNKHCSA-N 2 1 347.503 1.573 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033417915 707801496 /nfs/dbraw/zinc/80/14/96/707801496.db2.gz BFFWCJRROJLXQQ-BBRMVZONSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033417915 707801499 /nfs/dbraw/zinc/80/14/99/707801499.db2.gz BFFWCJRROJLXQQ-BBRMVZONSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033417915 707801502 /nfs/dbraw/zinc/80/15/02/707801502.db2.gz BFFWCJRROJLXQQ-BBRMVZONSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033417915 707801504 /nfs/dbraw/zinc/80/15/04/707801504.db2.gz BFFWCJRROJLXQQ-BBRMVZONSA-N 2 1 334.464 1.666 20 0 EDADMP C[C@H]([NH2+]Cc1nncs1)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004984271 707830466 /nfs/dbraw/zinc/83/04/66/707830466.db2.gz VBNLYUZVOZPTQC-KBPBESRZSA-N 2 1 349.504 1.493 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033427249 707851435 /nfs/dbraw/zinc/85/14/35/707851435.db2.gz ZBGIBACTPCMVPQ-MRXNPFEDSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033427249 707851439 /nfs/dbraw/zinc/85/14/39/707851439.db2.gz ZBGIBACTPCMVPQ-MRXNPFEDSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033427249 707851443 /nfs/dbraw/zinc/85/14/43/707851443.db2.gz ZBGIBACTPCMVPQ-MRXNPFEDSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1cnc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)o1 ZINC001004983338 707864260 /nfs/dbraw/zinc/86/42/60/707864260.db2.gz RIQWEERUQLQVKJ-HZPDHXFCSA-N 2 1 346.475 1.938 20 0 EDADMP C[C@@H]([NH2+]Cc1ncccn1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004993955 707878175 /nfs/dbraw/zinc/87/81/75/707878175.db2.gz SZWOBGQQILRMFT-CVEARBPZSA-N 2 1 331.464 1.432 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033463970 707917954 /nfs/dbraw/zinc/91/79/54/707917954.db2.gz CCZFCLACGQEGHW-JKSUJKDBSA-N 2 1 334.464 1.576 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033463970 707917959 /nfs/dbraw/zinc/91/79/59/707917959.db2.gz CCZFCLACGQEGHW-JKSUJKDBSA-N 2 1 334.464 1.576 20 0 EDADMP Cc1cccc(OCCN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001032781168 707967984 /nfs/dbraw/zinc/96/79/84/707967984.db2.gz LFHUVMIWIBHDAB-BZSNNMDCSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1cccc(OCC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001032781168 707967987 /nfs/dbraw/zinc/96/79/87/707967987.db2.gz LFHUVMIWIBHDAB-BZSNNMDCSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1cccc(OCC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001032781168 707967991 /nfs/dbraw/zinc/96/79/91/707967991.db2.gz LFHUVMIWIBHDAB-BZSNNMDCSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1cccc(OCC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001032781168 707967993 /nfs/dbraw/zinc/96/79/93/707967993.db2.gz LFHUVMIWIBHDAB-BZSNNMDCSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1cccc(OCC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001032781168 707967996 /nfs/dbraw/zinc/96/79/96/707967996.db2.gz LFHUVMIWIBHDAB-BZSNNMDCSA-N 2 1 343.471 1.611 20 0 EDADMP CC1CC(C[N@H+]2CC[C@H](N(C)C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001033489984 707983968 /nfs/dbraw/zinc/98/39/68/707983968.db2.gz LVFWLNMPJVKRST-HTWSVDAQSA-N 2 1 347.507 1.637 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC001033531543 708154680 /nfs/dbraw/zinc/15/46/80/708154680.db2.gz LONYVDWZTRVUKX-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCO)C1 ZINC001033576099 708251338 /nfs/dbraw/zinc/25/13/38/708251338.db2.gz TZBLKILFUPZBFM-IAGOWNOFSA-N 2 1 325.497 1.556 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033576099 708251341 /nfs/dbraw/zinc/25/13/41/708251341.db2.gz TZBLKILFUPZBFM-IAGOWNOFSA-N 2 1 325.497 1.556 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033576099 708251344 /nfs/dbraw/zinc/25/13/44/708251344.db2.gz TZBLKILFUPZBFM-IAGOWNOFSA-N 2 1 325.497 1.556 20 0 EDADMP C[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3cscn3)CC2)CC1 ZINC001001798238 708312387 /nfs/dbraw/zinc/31/23/87/708312387.db2.gz QLWXBIWTKBTMPK-UHFFFAOYSA-N 2 1 336.505 1.813 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033585991 708314849 /nfs/dbraw/zinc/31/48/49/708314849.db2.gz OLEFVBOQUASMLW-OAHLLOKOSA-N 2 1 342.447 1.191 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033585991 708314855 /nfs/dbraw/zinc/31/48/55/708314855.db2.gz OLEFVBOQUASMLW-OAHLLOKOSA-N 2 1 342.447 1.191 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)c(C)o1 ZINC001001824376 708326961 /nfs/dbraw/zinc/32/69/61/708326961.db2.gz FCPRWSPSJKGUBC-GUYCJALGSA-N 2 1 348.491 1.817 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)c(C)o1 ZINC001001824376 708326965 /nfs/dbraw/zinc/32/69/65/708326965.db2.gz FCPRWSPSJKGUBC-GUYCJALGSA-N 2 1 348.491 1.817 20 0 EDADMP CCc1cnc(CN2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC001001832791 708358355 /nfs/dbraw/zinc/35/83/55/708358355.db2.gz HPLKBYHQSJQVHX-WMLDXEAASA-N 2 1 348.491 1.763 20 0 EDADMP CCc1cnc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC001001832791 708358360 /nfs/dbraw/zinc/35/83/60/708358360.db2.gz HPLKBYHQSJQVHX-WMLDXEAASA-N 2 1 348.491 1.763 20 0 EDADMP CCc1cnc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC001001832791 708358365 /nfs/dbraw/zinc/35/83/65/708358365.db2.gz HPLKBYHQSJQVHX-WMLDXEAASA-N 2 1 348.491 1.763 20 0 EDADMP CCn1ccnc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001835009 708361611 /nfs/dbraw/zinc/36/16/11/708361611.db2.gz ULKSOVAPRVHXFL-DOTOQJQBSA-N 2 1 347.507 1.429 20 0 EDADMP CCn1ccnc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001835009 708361615 /nfs/dbraw/zinc/36/16/15/708361615.db2.gz ULKSOVAPRVHXFL-DOTOQJQBSA-N 2 1 347.507 1.429 20 0 EDADMP Cc1noc([C@H](C)[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001002127259 708642794 /nfs/dbraw/zinc/64/27/94/708642794.db2.gz PZPPTSXPDDPLOL-WFASDCNBSA-N 2 1 335.452 1.219 20 0 EDADMP Cc1noc([C@H](C)[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001002127259 708642796 /nfs/dbraw/zinc/64/27/96/708642796.db2.gz PZPPTSXPDDPLOL-WFASDCNBSA-N 2 1 335.452 1.219 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001002128121 708644587 /nfs/dbraw/zinc/64/45/87/708644587.db2.gz UYGOFNJDTPTWLQ-RDJZCZTQSA-N 2 1 345.491 1.626 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001033829642 708850086 /nfs/dbraw/zinc/85/00/86/708850086.db2.gz AGBQCNILABXBDW-FUHWJXTLSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001033829642 708850088 /nfs/dbraw/zinc/85/00/88/708850088.db2.gz AGBQCNILABXBDW-FUHWJXTLSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC001005407303 708937686 /nfs/dbraw/zinc/93/76/86/708937686.db2.gz PAJUKWBZEHFFCS-CRAIPNDOSA-N 2 1 345.491 1.548 20 0 EDADMP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC001005407303 708937690 /nfs/dbraw/zinc/93/76/90/708937690.db2.gz PAJUKWBZEHFFCS-CRAIPNDOSA-N 2 1 345.491 1.548 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCn2nc(C)cc2C)C1 ZINC001034039400 709272392 /nfs/dbraw/zinc/27/23/92/709272392.db2.gz IISCJJJYAQGKHX-MSOLQXFVSA-N 2 1 347.507 1.374 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001034039400 709272394 /nfs/dbraw/zinc/27/23/94/709272394.db2.gz IISCJJJYAQGKHX-MSOLQXFVSA-N 2 1 347.507 1.374 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001034039400 709272395 /nfs/dbraw/zinc/27/23/95/709272395.db2.gz IISCJJJYAQGKHX-MSOLQXFVSA-N 2 1 347.507 1.374 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2cnc(C)cn2)C1 ZINC001034040734 709288746 /nfs/dbraw/zinc/28/87/46/709288746.db2.gz WXEAQMXPTUBESV-RDJZCZTQSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001034040734 709288748 /nfs/dbraw/zinc/28/87/48/709288748.db2.gz WXEAQMXPTUBESV-RDJZCZTQSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001034040734 709288751 /nfs/dbraw/zinc/28/87/51/709288751.db2.gz WXEAQMXPTUBESV-RDJZCZTQSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001034040734 709288753 /nfs/dbraw/zinc/28/87/53/709288753.db2.gz WXEAQMXPTUBESV-RDJZCZTQSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001034040734 709288756 /nfs/dbraw/zinc/28/87/56/709288756.db2.gz WXEAQMXPTUBESV-RDJZCZTQSA-N 2 1 331.464 1.160 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1([NH+](C)C)CC1 ZINC000921991934 709380491 /nfs/dbraw/zinc/38/04/91/709380491.db2.gz TTYSQSDZJUGHLZ-WBVHZDCISA-N 2 1 330.476 1.900 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001034130592 709399658 /nfs/dbraw/zinc/39/96/58/709399658.db2.gz JDHIMNCGEIUCSL-MSOLQXFVSA-N 2 1 347.507 1.565 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001034130592 709399660 /nfs/dbraw/zinc/39/96/60/709399660.db2.gz JDHIMNCGEIUCSL-MSOLQXFVSA-N 2 1 347.507 1.565 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001034130592 709399663 /nfs/dbraw/zinc/39/96/63/709399663.db2.gz JDHIMNCGEIUCSL-MSOLQXFVSA-N 2 1 347.507 1.565 20 0 EDADMP Cc1ncccc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034135847 709406906 /nfs/dbraw/zinc/40/69/06/709406906.db2.gz FRRKACPIWDWTFJ-QZTJIDSGSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1ncccc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034135847 709406907 /nfs/dbraw/zinc/40/69/07/709406907.db2.gz FRRKACPIWDWTFJ-QZTJIDSGSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1ncccc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034135847 709406909 /nfs/dbraw/zinc/40/69/09/709406909.db2.gz FRRKACPIWDWTFJ-QZTJIDSGSA-N 2 1 330.476 1.955 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001002859223 709466986 /nfs/dbraw/zinc/46/69/86/709466986.db2.gz LHOKBNLEUSXYDV-ZWKOTPCHSA-N 2 1 347.507 1.274 20 0 EDADMP O=C(NC1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001002875090 709481529 /nfs/dbraw/zinc/48/15/29/709481529.db2.gz NGQKDYWJLFQWRB-KGLIPLIRSA-N 2 1 349.397 1.383 20 0 EDADMP O=C(N[C@H]1CCCC[N@H+](Cc2cncs2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034211019 709561778 /nfs/dbraw/zinc/56/17/78/709561778.db2.gz KKOXQDNPKMKNLN-RDJZCZTQSA-N 2 1 348.516 1.956 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](Cc2cncs2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034211019 709561780 /nfs/dbraw/zinc/56/17/80/709561780.db2.gz KKOXQDNPKMKNLN-RDJZCZTQSA-N 2 1 348.516 1.956 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](C[C@H]2CCOC2)C1)C12CCC[NH+]1CCC2 ZINC001034291221 709716584 /nfs/dbraw/zinc/71/65/84/709716584.db2.gz RNBLHMGHMJJENG-SJORKVTESA-N 2 1 335.492 1.622 20 0 EDADMP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1)OC ZINC001002995608 709743960 /nfs/dbraw/zinc/74/39/60/709743960.db2.gz POCPSSVUGMINMC-WMZOPIPTSA-N 2 1 339.524 1.970 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](CC2CCC2)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321552 709771840 /nfs/dbraw/zinc/77/18/40/709771840.db2.gz UYIPZXCVDNEKAC-AGYKMIKPSA-N 2 1 347.503 1.620 20 0 EDADMP O=C(N[C@H]1CCCC[NH+](CC2CCC2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001034321552 709771841 /nfs/dbraw/zinc/77/18/41/709771841.db2.gz UYIPZXCVDNEKAC-AGYKMIKPSA-N 2 1 347.503 1.620 20 0 EDADMP O=C(N[C@H]1CCCC[NH+](CC2CCC2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001034321552 709771843 /nfs/dbraw/zinc/77/18/43/709771843.db2.gz UYIPZXCVDNEKAC-AGYKMIKPSA-N 2 1 347.503 1.620 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001003011946 709783542 /nfs/dbraw/zinc/78/35/42/709783542.db2.gz UGBSCRPTLBDOBU-FUHWJXTLSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC001034378992 709900794 /nfs/dbraw/zinc/90/07/94/709900794.db2.gz ZQIXTGQMSBEZKI-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CCCC[N@H+](CCCO)C1)C2 ZINC001034394118 709930258 /nfs/dbraw/zinc/93/02/58/709930258.db2.gz JNPYOCAKWGNUTJ-HOTGVXAUSA-N 2 1 334.464 1.107 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1)C2 ZINC001034394118 709930260 /nfs/dbraw/zinc/93/02/60/709930260.db2.gz JNPYOCAKWGNUTJ-HOTGVXAUSA-N 2 1 334.464 1.107 20 0 EDADMP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001003147622 710046580 /nfs/dbraw/zinc/04/65/80/710046580.db2.gz WWATZSPNCBHJLG-ZWKOTPCHSA-N 2 1 345.491 1.481 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001003157561 710060272 /nfs/dbraw/zinc/06/02/72/710060272.db2.gz BDKUDCNHKGWNGG-IBGZPJMESA-N 2 1 345.487 1.744 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003229435 710150649 /nfs/dbraw/zinc/15/06/49/710150649.db2.gz GLMXJYNOOYICJN-RDJZCZTQSA-N 2 1 325.497 1.722 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001034525648 710176259 /nfs/dbraw/zinc/17/62/59/710176259.db2.gz NRZLHAAPBMJGEO-GJZGRUSLSA-N 2 1 329.435 1.954 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034525648 710176260 /nfs/dbraw/zinc/17/62/60/710176260.db2.gz NRZLHAAPBMJGEO-GJZGRUSLSA-N 2 1 329.435 1.954 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034525648 710176261 /nfs/dbraw/zinc/17/62/61/710176261.db2.gz NRZLHAAPBMJGEO-GJZGRUSLSA-N 2 1 329.435 1.954 20 0 EDADMP CCN1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001034534520 710205553 /nfs/dbraw/zinc/20/55/53/710205553.db2.gz LYYYRJKDFKXNFJ-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC001034534520 710205557 /nfs/dbraw/zinc/20/55/57/710205557.db2.gz LYYYRJKDFKXNFJ-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC001034534520 710205559 /nfs/dbraw/zinc/20/55/59/710205559.db2.gz LYYYRJKDFKXNFJ-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001034534520 710205565 /nfs/dbraw/zinc/20/55/65/710205565.db2.gz LYYYRJKDFKXNFJ-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cncn2)C1 ZINC001034539055 710212237 /nfs/dbraw/zinc/21/22/37/710212237.db2.gz UWQDCQJAQZLJHU-DLBZAZTESA-N 2 1 348.495 1.123 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCn2cncn2)C1 ZINC001034539055 710212240 /nfs/dbraw/zinc/21/22/40/710212240.db2.gz UWQDCQJAQZLJHU-DLBZAZTESA-N 2 1 348.495 1.123 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCn2cncn2)C1 ZINC001034539055 710212243 /nfs/dbraw/zinc/21/22/43/710212243.db2.gz UWQDCQJAQZLJHU-DLBZAZTESA-N 2 1 348.495 1.123 20 0 EDADMP CCC(CC)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003333190 710257494 /nfs/dbraw/zinc/25/74/94/710257494.db2.gz PMTFFDCDNWHNBJ-KGXSXCIVSA-N 2 1 349.519 1.866 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CC[C@@H]3CCCCO3)C2)CC[N@H+]1C ZINC001032840091 710289404 /nfs/dbraw/zinc/28/94/04/710289404.db2.gz MBHDOMHXVJNTCB-FJIDUMEYSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC[C@@H]3CCCCO3)C2)CC[NH+]1C ZINC001032840091 710289406 /nfs/dbraw/zinc/28/94/06/710289406.db2.gz MBHDOMHXVJNTCB-FJIDUMEYSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC[C@@H]3CCCCO3)C2)CC[NH+]1C ZINC001032840091 710289407 /nfs/dbraw/zinc/28/94/07/710289407.db2.gz MBHDOMHXVJNTCB-FJIDUMEYSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034642535 710318205 /nfs/dbraw/zinc/31/82/05/710318205.db2.gz GUGMYYDMLATIPM-BQFCYCMXSA-N 2 1 347.507 1.810 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001034645103 710321466 /nfs/dbraw/zinc/32/14/66/710321466.db2.gz QHVMDJUICYQEHG-ANQUJSFKSA-N 2 1 347.463 1.461 20 0 EDADMP Cc1oncc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001003493195 710375865 /nfs/dbraw/zinc/37/58/65/710375865.db2.gz SBBFZTTZBXCEQS-ZFWWWQNUSA-N 2 1 334.464 1.794 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001003626100 710455117 /nfs/dbraw/zinc/45/51/17/710455117.db2.gz MAIRWRHORATGDL-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1noc(CCC[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003626506 710455740 /nfs/dbraw/zinc/45/57/40/710455740.db2.gz RDUYBNRHUTXACO-AWEZNQCLSA-N 2 1 349.479 1.233 20 0 EDADMP CO[C@@H](C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1)C1CCC1 ZINC001003631803 710460644 /nfs/dbraw/zinc/46/06/44/710460644.db2.gz VHAGWASZNBMMFC-YJBOKZPZSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003635237 710462397 /nfs/dbraw/zinc/46/23/97/710462397.db2.gz NHRYXXCSEBSCHK-DOTOQJQBSA-N 2 1 330.476 1.668 20 0 EDADMP Cc1ccc(NCCNC(=O)NCC2CC[NH+](C3CC3)CC2)[nH+]c1 ZINC000922220118 710464179 /nfs/dbraw/zinc/46/41/79/710464179.db2.gz PAXZFTAPOGQNRR-UHFFFAOYSA-N 2 1 331.464 1.976 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001003636915 710466790 /nfs/dbraw/zinc/46/67/90/710466790.db2.gz YNPWLFDERGQYTR-SUMWQHHRSA-N 2 1 334.439 1.499 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001003636915 710466791 /nfs/dbraw/zinc/46/67/91/710466791.db2.gz YNPWLFDERGQYTR-SUMWQHHRSA-N 2 1 334.439 1.499 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncs2)CC1 ZINC001034672856 710606953 /nfs/dbraw/zinc/60/69/53/710606953.db2.gz SIWAEWVQTHXTKR-MGPQQGTHSA-N 2 1 337.493 1.539 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC001034673487 710611342 /nfs/dbraw/zinc/61/13/42/710611342.db2.gz BMYUMGCQXZUNAY-BRWVUGGUSA-N 2 1 345.491 1.786 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC001034674953 710626586 /nfs/dbraw/zinc/62/65/86/710626586.db2.gz VXFGJUZQNUWMCT-MIGQKNRLSA-N 2 1 348.495 1.675 20 0 EDADMP Cc1nc2c([nH]1)CC[C@@H](C(=O)N(C)C1CC[NH+](C[C@@H](C)O)CC1)C2 ZINC001005622803 710739452 /nfs/dbraw/zinc/73/94/52/710739452.db2.gz LPGNIUIVWKTZRQ-TZMCWYRMSA-N 2 1 334.464 1.127 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC001034734041 710915386 /nfs/dbraw/zinc/91/53/86/710915386.db2.gz HVGDTBUDDJUHCK-ZTFGCOKTSA-N 2 1 345.491 1.644 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC001034734971 710918368 /nfs/dbraw/zinc/91/83/68/710918368.db2.gz CTZZOCWNYVFPLZ-BPUTZDHNSA-N 2 1 334.464 1.984 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1)c1nncn1C ZINC001034735326 710920017 /nfs/dbraw/zinc/92/00/17/710920017.db2.gz FGEOVZWNVHPSFN-VGWMRTNUSA-N 2 1 348.495 1.377 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC001034738180 710952685 /nfs/dbraw/zinc/95/26/85/710952685.db2.gz QSXPTEPFLQJDMS-ANQUJSFKSA-N 2 1 348.491 1.952 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001034738147 710953070 /nfs/dbraw/zinc/95/30/70/710953070.db2.gz QKPBUOYTABOFBU-HJWJTTGWSA-N 2 1 345.491 1.500 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001032966433 711022122 /nfs/dbraw/zinc/02/21/22/711022122.db2.gz DPZJEUSNFIWALW-RTBURBONSA-N 2 1 343.471 1.844 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001032966433 711022126 /nfs/dbraw/zinc/02/21/26/711022126.db2.gz DPZJEUSNFIWALW-RTBURBONSA-N 2 1 343.471 1.844 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001032966433 711022129 /nfs/dbraw/zinc/02/21/29/711022129.db2.gz DPZJEUSNFIWALW-RTBURBONSA-N 2 1 343.471 1.844 20 0 EDADMP COCc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032969554 711048631 /nfs/dbraw/zinc/04/86/31/711048631.db2.gz XCELZDKVZOXHEI-RTBURBONSA-N 2 1 345.487 1.960 20 0 EDADMP COCc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001032969554 711048635 /nfs/dbraw/zinc/04/86/35/711048635.db2.gz XCELZDKVZOXHEI-RTBURBONSA-N 2 1 345.487 1.960 20 0 EDADMP COCc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001032969554 711048638 /nfs/dbraw/zinc/04/86/38/711048638.db2.gz XCELZDKVZOXHEI-RTBURBONSA-N 2 1 345.487 1.960 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001032974856 711059863 /nfs/dbraw/zinc/05/98/63/711059863.db2.gz FAGVCPSMDDUXCQ-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001032974856 711059867 /nfs/dbraw/zinc/05/98/67/711059867.db2.gz FAGVCPSMDDUXCQ-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001032974856 711059870 /nfs/dbraw/zinc/05/98/70/711059870.db2.gz FAGVCPSMDDUXCQ-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001032974856 711059873 /nfs/dbraw/zinc/05/98/73/711059873.db2.gz FAGVCPSMDDUXCQ-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)c1 ZINC001032977477 711094005 /nfs/dbraw/zinc/09/40/05/711094005.db2.gz UAGYWVWQHWVAEO-RTBURBONSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)c1 ZINC001032977477 711094009 /nfs/dbraw/zinc/09/40/09/711094009.db2.gz UAGYWVWQHWVAEO-RTBURBONSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1ccc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC001032977477 711094011 /nfs/dbraw/zinc/09/40/11/711094011.db2.gz UAGYWVWQHWVAEO-RTBURBONSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1ccc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001032977477 711094014 /nfs/dbraw/zinc/09/40/14/711094014.db2.gz UAGYWVWQHWVAEO-RTBURBONSA-N 2 1 345.487 1.667 20 0 EDADMP CCOC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001034792148 711118718 /nfs/dbraw/zinc/11/87/18/711118718.db2.gz GECNLPSOCXOFPY-WHRQZHCMSA-N 2 1 337.508 1.770 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001003982971 711181240 /nfs/dbraw/zinc/18/12/40/711181240.db2.gz GMTDLBDDRYGJNU-UHFFFAOYSA-N 2 1 346.475 1.768 20 0 EDADMP C[C@@H]1CC[C@H](C[NH+]2CCC(NC(=O)c3c[nH+]ccc3N(C)C)CC2)O1 ZINC001003983859 711183346 /nfs/dbraw/zinc/18/33/46/711183346.db2.gz QTPVJLLWHWGHBX-GDBMZVCRSA-N 2 1 346.475 1.909 20 0 EDADMP Cc1cccc(NCCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[nH+]1 ZINC000922345896 711235196 /nfs/dbraw/zinc/23/51/96/711235196.db2.gz FVPYQQMERMAOJU-UHFFFAOYSA-N 2 1 348.495 1.127 20 0 EDADMP Cc1cccc(NCCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[nH+]1 ZINC000922345896 711235197 /nfs/dbraw/zinc/23/51/97/711235197.db2.gz FVPYQQMERMAOJU-UHFFFAOYSA-N 2 1 348.495 1.127 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCc2ccc(CNCc3cnns3)cc2)C1 ZINC001034831213 711237194 /nfs/dbraw/zinc/23/71/94/711237194.db2.gz MWKCOIWYAHVXQN-OAHLLOKOSA-N 2 1 345.472 1.396 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH2+]Cc3cnns3)cc2)C1 ZINC001034831213 711237198 /nfs/dbraw/zinc/23/71/98/711237198.db2.gz MWKCOIWYAHVXQN-OAHLLOKOSA-N 2 1 345.472 1.396 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH2+]Cc3cnns3)cc2)C1 ZINC001034831213 711237202 /nfs/dbraw/zinc/23/72/02/711237202.db2.gz MWKCOIWYAHVXQN-OAHLLOKOSA-N 2 1 345.472 1.396 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnc(Cl)c1 ZINC001034881594 711281866 /nfs/dbraw/zinc/28/18/66/711281866.db2.gz KXODZCMRPPPANS-HUUCEWRRSA-N 2 1 336.867 1.910 20 0 EDADMP CN(C)c1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001034881740 711282633 /nfs/dbraw/zinc/28/26/33/711282633.db2.gz NMFLXVKUOMBKHB-MOPGFXCFSA-N 2 1 344.503 1.927 20 0 EDADMP CCn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001034936559 711352302 /nfs/dbraw/zinc/35/23/02/711352302.db2.gz RHINBEGYXVBYNM-WBVHZDCISA-N 2 1 348.495 1.251 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1C ZINC001034955561 711423483 /nfs/dbraw/zinc/42/34/83/711423483.db2.gz KEBYARHFHLNZBZ-QZTJIDSGSA-N 2 1 347.507 1.684 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ncccn1 ZINC001034959108 711433202 /nfs/dbraw/zinc/43/32/02/711433202.db2.gz RQGFEPZUSQWEQY-DLBZAZTESA-N 2 1 345.491 1.820 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ncccn1 ZINC001034959108 711433205 /nfs/dbraw/zinc/43/32/05/711433205.db2.gz RQGFEPZUSQWEQY-DLBZAZTESA-N 2 1 345.491 1.820 20 0 EDADMP CCc1nn(C)cc1C[NH2+][C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922395321 711451019 /nfs/dbraw/zinc/45/10/19/711451019.db2.gz VDBMNTDMTOIUHX-MKXGPGLRSA-N 2 1 334.508 1.942 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(N(C)C)n3C)C2)[C@@H]1C(C)C ZINC000922392736 711458207 /nfs/dbraw/zinc/45/82/07/711458207.db2.gz GVJPFPJUUBRXCX-VXIBKDFQSA-N 2 1 349.523 1.446 20 0 EDADMP CCn1cc(CC[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)cn1 ZINC001004152477 711549208 /nfs/dbraw/zinc/54/92/08/711549208.db2.gz SMTDMWXNIOTLIG-UHFFFAOYSA-N 2 1 344.463 1.231 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)cn1 ZINC001004146518 711557139 /nfs/dbraw/zinc/55/71/39/711557139.db2.gz UWYMUZOIMSYBBH-OAHLLOKOSA-N 2 1 331.464 1.522 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(CO)ccc3F)CC2)C1 ZINC001004151309 711569039 /nfs/dbraw/zinc/56/90/39/711569039.db2.gz WLMSQGIKKHWYLJ-HNNXBMFYSA-N 2 1 349.450 1.350 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033126154 711865039 /nfs/dbraw/zinc/86/50/39/711865039.db2.gz KTKKIIWIHGGHJR-WMZOPIPTSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033126154 711865040 /nfs/dbraw/zinc/86/50/40/711865040.db2.gz KTKKIIWIHGGHJR-WMZOPIPTSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033126154 711865042 /nfs/dbraw/zinc/86/50/42/711865042.db2.gz KTKKIIWIHGGHJR-WMZOPIPTSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2cc(C)no2)C1 ZINC001033126387 711889571 /nfs/dbraw/zinc/88/95/71/711889571.db2.gz MNLWTNPWILFLMJ-DOTOQJQBSA-N 2 1 334.464 1.890 20 0 EDADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004501665 711902091 /nfs/dbraw/zinc/90/20/91/711902091.db2.gz ZIFLKHHANGMKQX-MOPGFXCFSA-N 2 1 349.519 1.556 20 0 EDADMP CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946621462 711908136 /nfs/dbraw/zinc/90/81/36/711908136.db2.gz ZENUAKDWKBWNGQ-ZACQAIPSSA-N 2 1 337.508 1.676 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3Cc3ccon3)CC2)C1 ZINC001004618523 712079081 /nfs/dbraw/zinc/07/90/81/712079081.db2.gz XODAYUSYBQLTSN-FUHWJXTLSA-N 2 1 346.475 1.829 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3Cc3ccon3)CC2)C1 ZINC001004618523 712079083 /nfs/dbraw/zinc/07/90/83/712079083.db2.gz XODAYUSYBQLTSN-FUHWJXTLSA-N 2 1 346.475 1.829 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3Cc3ccon3)CC2)C1 ZINC001004618523 712079084 /nfs/dbraw/zinc/07/90/84/712079084.db2.gz XODAYUSYBQLTSN-FUHWJXTLSA-N 2 1 346.475 1.829 20 0 EDADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644517 712151410 /nfs/dbraw/zinc/15/14/10/712151410.db2.gz FWSKFNMNIFEYBX-WNRNVDISSA-N 2 1 337.508 1.676 20 0 EDADMP COC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946644517 712151413 /nfs/dbraw/zinc/15/14/13/712151413.db2.gz FWSKFNMNIFEYBX-WNRNVDISSA-N 2 1 337.508 1.676 20 0 EDADMP COC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC[C@@H]2C1 ZINC000946644517 712151416 /nfs/dbraw/zinc/15/14/16/712151416.db2.gz FWSKFNMNIFEYBX-WNRNVDISSA-N 2 1 337.508 1.676 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@H]2C[N@H+](CCF)C[C@H]2CC1 ZINC000946681385 712376777 /nfs/dbraw/zinc/37/67/77/712376777.db2.gz MPICTAGHQMRKAD-IYBDPMFKSA-N 2 1 348.466 1.902 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@H]2C[N@@H+](CCF)C[C@H]2CC1 ZINC000946681385 712376779 /nfs/dbraw/zinc/37/67/79/712376779.db2.gz MPICTAGHQMRKAD-IYBDPMFKSA-N 2 1 348.466 1.902 20 0 EDADMP CN(C[C@@](C)(O)C[N@H+]1CC[C@H](C[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000496174569 282135909 /nfs/dbraw/zinc/13/59/09/282135909.db2.gz XHXGZYNRFBJAHG-RHSMWYFYSA-N 2 1 329.485 1.488 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC(CO)CC1)c1ccccc1 ZINC000184605553 282170703 /nfs/dbraw/zinc/17/07/03/282170703.db2.gz BPISKADGBNVFES-KVZIAJEVSA-N 2 1 347.503 1.888 20 0 EDADMP Cc1ncccc1C[NH2+]C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354923762 282194966 /nfs/dbraw/zinc/19/49/66/282194966.db2.gz NRBFWJMBIUDSSG-HZPDHXFCSA-N 2 1 344.438 1.953 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC[C@H]1CC(N)=O)c1ccccc1 ZINC000354855220 282238069 /nfs/dbraw/zinc/23/80/69/282238069.db2.gz LSEJJMAAUPRLII-DLBZAZTESA-N 2 1 346.475 1.135 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000183967773 529799376 /nfs/dbraw/zinc/79/93/76/529799376.db2.gz GGJPXCXYONYVCG-MSOLQXFVSA-N 2 1 346.475 1.645 20 0 EDADMP CN(C/C=C/CN(C)[C@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340196916 282335413 /nfs/dbraw/zinc/33/54/13/282335413.db2.gz GEOKNBJQIXNKQA-IGVYDEPUSA-N 2 1 332.536 1.880 20 0 EDADMP CN(C/C=C/CN(C)[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000340196916 282335414 /nfs/dbraw/zinc/33/54/14/282335414.db2.gz GEOKNBJQIXNKQA-IGVYDEPUSA-N 2 1 332.536 1.880 20 0 EDADMP CN(C/C=C/CN(C)[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000340196916 282335415 /nfs/dbraw/zinc/33/54/15/282335415.db2.gz GEOKNBJQIXNKQA-IGVYDEPUSA-N 2 1 332.536 1.880 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000333926860 290730570 /nfs/dbraw/zinc/73/05/70/290730570.db2.gz VWDNJGHNGIAJNO-MRXNPFEDSA-N 2 1 338.496 1.272 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000165842424 530069703 /nfs/dbraw/zinc/06/97/03/530069703.db2.gz CKPCNFCPBKLEES-MRXNPFEDSA-N 2 1 330.432 1.155 20 0 EDADMP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H](C)CS(C)(=O)=O ZINC000093390133 539505281 /nfs/dbraw/zinc/50/52/81/539505281.db2.gz GYZBFGFVBQZRCT-OAHLLOKOSA-N 2 1 342.505 1.882 20 0 EDADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H](C)CS(C)(=O)=O ZINC000093390133 539505285 /nfs/dbraw/zinc/50/52/85/539505285.db2.gz GYZBFGFVBQZRCT-OAHLLOKOSA-N 2 1 342.505 1.882 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000355572487 282446701 /nfs/dbraw/zinc/44/67/01/282446701.db2.gz KAZUUYABQCVDDQ-LJQANCHMSA-N 2 1 345.487 1.739 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000436144768 305153067 /nfs/dbraw/zinc/15/30/67/305153067.db2.gz QWEQFKFOACBIOH-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000436144768 305153068 /nfs/dbraw/zinc/15/30/68/305153068.db2.gz QWEQFKFOACBIOH-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000436125045 539569684 /nfs/dbraw/zinc/56/96/84/539569684.db2.gz PABRBHMKIUODEE-LSDHHAIUSA-N 2 1 328.501 1.203 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000339344342 539707843 /nfs/dbraw/zinc/70/78/43/539707843.db2.gz OIPITVPAWXROIG-HZPDHXFCSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)CC[N@H+]1CCCC[C@H]1C ZINC000339344342 539707847 /nfs/dbraw/zinc/70/78/47/539707847.db2.gz OIPITVPAWXROIG-HZPDHXFCSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000339344340 539707893 /nfs/dbraw/zinc/70/78/93/539707893.db2.gz OIPITVPAWXROIG-CVEARBPZSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000339344340 539707896 /nfs/dbraw/zinc/70/78/96/539707896.db2.gz OIPITVPAWXROIG-CVEARBPZSA-N 2 1 325.497 1.555 20 0 EDADMP CCOC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000354326281 539942087 /nfs/dbraw/zinc/94/20/87/539942087.db2.gz CNUDDCPTHDUNEU-NVXWUHKLSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000562869204 306311518 /nfs/dbraw/zinc/31/15/18/306311518.db2.gz JCHDPUMFADJVTI-HMEJJSDOSA-N 2 1 336.480 1.463 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000417759235 283004300 /nfs/dbraw/zinc/00/43/00/283004300.db2.gz WBPXORNFHOCVAI-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP Cc1cccc(CCNC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)n1 ZINC000281651087 540077652 /nfs/dbraw/zinc/07/76/52/540077652.db2.gz RUEQUGBYHYFQOL-UHFFFAOYSA-N 2 1 347.507 1.600 20 0 EDADMP Cc1cccc(CCNC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)n1 ZINC000281651087 540077654 /nfs/dbraw/zinc/07/76/54/540077654.db2.gz RUEQUGBYHYFQOL-UHFFFAOYSA-N 2 1 347.507 1.600 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000563331657 306327740 /nfs/dbraw/zinc/32/77/40/306327740.db2.gz KIGAQDRESDNULC-BZSNNMDCSA-N 2 1 346.475 1.015 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000563331657 306327741 /nfs/dbraw/zinc/32/77/41/306327741.db2.gz KIGAQDRESDNULC-BZSNNMDCSA-N 2 1 346.475 1.015 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000563331657 306327742 /nfs/dbraw/zinc/32/77/42/306327742.db2.gz KIGAQDRESDNULC-BZSNNMDCSA-N 2 1 346.475 1.015 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000360166691 283164897 /nfs/dbraw/zinc/16/48/97/283164897.db2.gz ZLPTVFSZQWKGNQ-HZPDHXFCSA-N 2 1 340.512 1.166 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000360166691 283164904 /nfs/dbraw/zinc/16/49/04/283164904.db2.gz ZLPTVFSZQWKGNQ-HZPDHXFCSA-N 2 1 340.512 1.166 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000360166691 283164909 /nfs/dbraw/zinc/16/49/09/283164909.db2.gz ZLPTVFSZQWKGNQ-HZPDHXFCSA-N 2 1 340.512 1.166 20 0 EDADMP CC[NH2+]CCCNC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563581180 306339666 /nfs/dbraw/zinc/33/96/66/306339666.db2.gz KMDAUEXHHMDBEX-SJLPKXTDSA-N 2 1 348.491 1.575 20 0 EDADMP CC[NH2+]CCCNC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563581180 306339667 /nfs/dbraw/zinc/33/96/67/306339667.db2.gz KMDAUEXHHMDBEX-SJLPKXTDSA-N 2 1 348.491 1.575 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000352753841 283211332 /nfs/dbraw/zinc/21/13/32/283211332.db2.gz PRVLLJVNOKTHBV-SJORKVTESA-N 2 1 342.528 1.595 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCSCC1 ZINC000132257088 138373595 /nfs/dbraw/zinc/37/35/95/138373595.db2.gz SENWYORTIOAQMS-HUUCEWRRSA-N 2 1 341.521 1.041 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC1(CO)CC1 ZINC000186796024 236023836 /nfs/dbraw/zinc/02/38/36/236023836.db2.gz UNMXBNRQNSAAEJ-AEFFLSMTSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC1(CO)CC1 ZINC000186796024 236023838 /nfs/dbraw/zinc/02/38/38/236023838.db2.gz UNMXBNRQNSAAEJ-AEFFLSMTSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC1(CO)CC1 ZINC000186796024 236023839 /nfs/dbraw/zinc/02/38/39/236023839.db2.gz UNMXBNRQNSAAEJ-AEFFLSMTSA-N 2 1 345.487 1.470 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000413836360 304079737 /nfs/dbraw/zinc/07/97/37/304079737.db2.gz LQHRKOXGSWTWMX-LUKYLMHMSA-N 2 1 338.496 1.364 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000413836360 304079739 /nfs/dbraw/zinc/07/97/39/304079739.db2.gz LQHRKOXGSWTWMX-LUKYLMHMSA-N 2 1 338.496 1.364 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NCCC[NH2+]C3CC3)cc2F)CC1 ZINC000565038277 306373773 /nfs/dbraw/zinc/37/37/73/306373773.db2.gz NSYBOZSNNJMMSE-UHFFFAOYSA-N 2 1 348.466 1.840 20 0 EDADMP C[C@@H](NC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1)C(C)(C)C[NH+](C)C ZINC000378513362 296038288 /nfs/dbraw/zinc/03/82/88/296038288.db2.gz HXRTUVYYZRVWGC-OAHLLOKOSA-N 2 1 349.523 1.817 20 0 EDADMP C[C@@H](NC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1)C(C)(C)C[NH+](C)C ZINC000378513362 296038292 /nfs/dbraw/zinc/03/82/92/296038292.db2.gz HXRTUVYYZRVWGC-OAHLLOKOSA-N 2 1 349.523 1.817 20 0 EDADMP C[C@@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C[NH3+] ZINC000156648465 201398656 /nfs/dbraw/zinc/39/86/56/201398656.db2.gz FRAHWZRMCRXRLT-IEBWSBKVSA-N 2 1 344.503 1.390 20 0 EDADMP CCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000414699190 304129459 /nfs/dbraw/zinc/12/94/59/304129459.db2.gz JMWATJGVORHINR-JOCBIADPSA-N 2 1 337.508 1.709 20 0 EDADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc2c1OCO2 ZINC000414784550 304140551 /nfs/dbraw/zinc/14/05/51/304140551.db2.gz ILTAKUGBCFSZSY-CQSZACIVSA-N 2 1 334.416 1.611 20 0 EDADMP CCOc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000414807996 304143556 /nfs/dbraw/zinc/14/35/56/304143556.db2.gz RUMPMCDLQMJBBJ-ZDUSSCGKSA-N 2 1 337.464 1.768 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000071871238 203133003 /nfs/dbraw/zinc/13/30/03/203133003.db2.gz MQZWKIKBRGZGGH-MRXNPFEDSA-N 2 1 333.476 1.667 20 0 EDADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414996408 304149122 /nfs/dbraw/zinc/14/91/22/304149122.db2.gz GQBIYJSZHLKZNK-ZJUUUORDSA-N 2 1 337.212 1.869 20 0 EDADMP COC(=O)CNC(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110143 203339051 /nfs/dbraw/zinc/33/90/51/203339051.db2.gz BNRSNHWNQZQNDS-KRWDZBQOSA-N 2 1 347.459 1.120 20 0 EDADMP COC(=O)CNC(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110143 203339054 /nfs/dbraw/zinc/33/90/54/203339054.db2.gz BNRSNHWNQZQNDS-KRWDZBQOSA-N 2 1 347.459 1.120 20 0 EDADMP COC(=O)CNC(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110143 203339058 /nfs/dbraw/zinc/33/90/58/203339058.db2.gz BNRSNHWNQZQNDS-KRWDZBQOSA-N 2 1 347.459 1.120 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000415039406 304153259 /nfs/dbraw/zinc/15/32/59/304153259.db2.gz MWIMDCQKOHVDSK-XJKSGUPXSA-N 2 1 332.448 1.334 20 0 EDADMP COc1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc2c1OCO2 ZINC000415051904 304154619 /nfs/dbraw/zinc/15/46/19/304154619.db2.gz JXFZZQXMQCCSEO-UHFFFAOYSA-N 2 1 347.459 1.730 20 0 EDADMP CCOc1cc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)ccc1OC ZINC000415119937 304161261 /nfs/dbraw/zinc/16/12/61/304161261.db2.gz FNJVZHJXHUCLOW-MRXNPFEDSA-N 2 1 345.447 1.981 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000105149662 204136147 /nfs/dbraw/zinc/13/61/47/204136147.db2.gz ZQAMKTSNQXKOPT-INIZCTEOSA-N 2 1 342.487 1.923 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000105149662 204136151 /nfs/dbraw/zinc/13/61/51/204136151.db2.gz ZQAMKTSNQXKOPT-INIZCTEOSA-N 2 1 342.487 1.923 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1F ZINC000415133014 304162653 /nfs/dbraw/zinc/16/26/53/304162653.db2.gz BPTSRNPXFKWYAW-QZTJIDSGSA-N 2 1 346.450 1.854 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1F ZINC000415133014 304162655 /nfs/dbraw/zinc/16/26/55/304162655.db2.gz BPTSRNPXFKWYAW-QZTJIDSGSA-N 2 1 346.450 1.854 20 0 EDADMP Cc1cccc(CNC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000111217722 204342081 /nfs/dbraw/zinc/34/20/81/204342081.db2.gz UXDKCIGAALGMAO-UHFFFAOYSA-N 2 1 345.487 1.655 20 0 EDADMP COc1ccc(OC)c(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415139899 304163359 /nfs/dbraw/zinc/16/33/59/304163359.db2.gz XNWWOQUHEPPJMW-SJORKVTESA-N 2 1 332.444 1.904 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccc1F ZINC000415144150 304164521 /nfs/dbraw/zinc/16/45/21/304164521.db2.gz UPIKAKGPDISEDK-ZWKOTPCHSA-N 2 1 346.450 1.854 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](O)C1 ZINC000227070265 139022265 /nfs/dbraw/zinc/02/22/65/139022265.db2.gz MCYCOWMTKXNQQT-QFBILLFUSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH2+]C1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000237112907 139041082 /nfs/dbraw/zinc/04/10/82/139041082.db2.gz GVAIEVJPEDGAQN-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)C2([NH3+])CC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000237186699 139043318 /nfs/dbraw/zinc/04/33/18/139043318.db2.gz KZRUMEDFXPHCKV-HNNXBMFYSA-N 2 1 330.432 1.283 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000415175334 304171165 /nfs/dbraw/zinc/17/11/65/304171165.db2.gz WOTNJOCFIVOWPA-NVXWUHKLSA-N 2 1 344.459 1.287 20 0 EDADMP COCc1ccc(CNC(=O)C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130789915 205257392 /nfs/dbraw/zinc/25/73/92/205257392.db2.gz JBCHJZYLJJCOPO-UHFFFAOYSA-N 2 1 344.459 1.976 20 0 EDADMP COCc1ccc(CNC(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130789915 205257396 /nfs/dbraw/zinc/25/73/96/205257396.db2.gz JBCHJZYLJJCOPO-UHFFFAOYSA-N 2 1 344.459 1.976 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000415189588 304172855 /nfs/dbraw/zinc/17/28/55/304172855.db2.gz WNXKJXHAZSNGNN-KGLIPLIRSA-N 2 1 332.448 1.286 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000415189588 304172857 /nfs/dbraw/zinc/17/28/57/304172857.db2.gz WNXKJXHAZSNGNN-KGLIPLIRSA-N 2 1 332.448 1.286 20 0 EDADMP C[N@H+](CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000132998834 205350647 /nfs/dbraw/zinc/35/06/47/205350647.db2.gz PHVXLGMBKSUYPS-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000132998834 205350652 /nfs/dbraw/zinc/35/06/52/205350652.db2.gz PHVXLGMBKSUYPS-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000132998834 205350657 /nfs/dbraw/zinc/35/06/57/205350657.db2.gz PHVXLGMBKSUYPS-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000132998834 205350661 /nfs/dbraw/zinc/35/06/61/205350661.db2.gz PHVXLGMBKSUYPS-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000237604618 139055351 /nfs/dbraw/zinc/05/53/51/139055351.db2.gz GIEQSCLPEKMWRW-JTDSTZFVSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CC3CC[NH2+]CC3)c2)CCO1 ZINC000237636681 139056568 /nfs/dbraw/zinc/05/65/68/139056568.db2.gz UIMLLBGVVAMQQN-INIZCTEOSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CC3CC[NH2+]CC3)c2)CCO1 ZINC000237636681 139056569 /nfs/dbraw/zinc/05/65/69/139056569.db2.gz UIMLLBGVVAMQQN-INIZCTEOSA-N 2 1 345.487 1.913 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)nc(C)[nH+]1 ZINC000237786419 139060323 /nfs/dbraw/zinc/06/03/23/139060323.db2.gz GHTSHWFKQBCGSI-GJZGRUSLSA-N 2 1 331.464 1.696 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000245399158 139072062 /nfs/dbraw/zinc/07/20/62/139072062.db2.gz VVLNVEDRTMONDS-CVEARBPZSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000245399158 139072063 /nfs/dbraw/zinc/07/20/63/139072063.db2.gz VVLNVEDRTMONDS-CVEARBPZSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000245399158 139072064 /nfs/dbraw/zinc/07/20/64/139072064.db2.gz VVLNVEDRTMONDS-CVEARBPZSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000155099170 205985025 /nfs/dbraw/zinc/98/50/25/205985025.db2.gz XBYYUNIZEQCAGU-AEFFLSMTSA-N 2 1 348.491 1.557 20 0 EDADMP C[C@@H](c1ccc(NC(=O)N2CC([NH+](C)C)C2)cc1)[NH+]1CCOCC1 ZINC000272607105 296229783 /nfs/dbraw/zinc/22/97/83/296229783.db2.gz QTKFRKLZRPPPNC-AWEZNQCLSA-N 2 1 332.448 1.858 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC000246916841 139126871 /nfs/dbraw/zinc/12/68/71/139126871.db2.gz QLOJQPPXFWMPRD-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1C ZINC000247427881 139148328 /nfs/dbraw/zinc/14/83/28/139148328.db2.gz OKUPLUKTZDBHID-NZSAHSFTSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1C ZINC000247427881 139148329 /nfs/dbraw/zinc/14/83/29/139148329.db2.gz OKUPLUKTZDBHID-NZSAHSFTSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000247427881 139148330 /nfs/dbraw/zinc/14/83/30/139148330.db2.gz OKUPLUKTZDBHID-NZSAHSFTSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000247427881 139148331 /nfs/dbraw/zinc/14/83/31/139148331.db2.gz OKUPLUKTZDBHID-NZSAHSFTSA-N 2 1 345.487 1.829 20 0 EDADMP C[N@H+](CCOc1ccccc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000247980298 139156793 /nfs/dbraw/zinc/15/67/93/139156793.db2.gz JHJGDRFDTONHSU-UHFFFAOYSA-N 2 1 331.460 1.740 20 0 EDADMP C[N@@H+](CCOc1ccccc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000247980298 139156794 /nfs/dbraw/zinc/15/67/94/139156794.db2.gz JHJGDRFDTONHSU-UHFFFAOYSA-N 2 1 331.460 1.740 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H]1C ZINC000248371075 139160912 /nfs/dbraw/zinc/16/09/12/139160912.db2.gz YGHAPFYWCVDUNK-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H]1C ZINC000248371075 139160913 /nfs/dbraw/zinc/16/09/13/139160913.db2.gz YGHAPFYWCVDUNK-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000248766205 139174694 /nfs/dbraw/zinc/17/46/94/139174694.db2.gz GXQYXCQTXMESIO-AOIWGVFYSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000248766205 139174695 /nfs/dbraw/zinc/17/46/95/139174695.db2.gz GXQYXCQTXMESIO-AOIWGVFYSA-N 2 1 344.503 1.259 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000249103047 139185706 /nfs/dbraw/zinc/18/57/06/139185706.db2.gz KLLSWFUAUYMFAT-HUUCEWRRSA-N 2 1 328.501 1.203 20 0 EDADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000249796751 139198750 /nfs/dbraw/zinc/19/87/50/139198750.db2.gz XGPKXCAVWBSQHF-BBWFWOEESA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000249796751 139198751 /nfs/dbraw/zinc/19/87/51/139198751.db2.gz XGPKXCAVWBSQHF-BBWFWOEESA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H](NC(=O)C1([NH3+])CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261544003 139208726 /nfs/dbraw/zinc/20/87/26/139208726.db2.gz DLGPPGRXLXABNL-WBVHZDCISA-N 2 1 331.460 1.521 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261627612 139212460 /nfs/dbraw/zinc/21/24/60/139212460.db2.gz DOOPYEVQEILQGL-RANZSIQMSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261627612 139212461 /nfs/dbraw/zinc/21/24/61/139212461.db2.gz DOOPYEVQEILQGL-RANZSIQMSA-N 2 1 331.460 1.344 20 0 EDADMP [NH3+][C@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000261829842 139229688 /nfs/dbraw/zinc/22/96/88/139229688.db2.gz IEFIKZLVRJOHFZ-SFHVURJKSA-N 2 1 331.460 1.305 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261991151 139242257 /nfs/dbraw/zinc/24/22/57/139242257.db2.gz SHZBYGNVQGNWCO-GFCCVEGCSA-N 2 1 333.461 1.425 20 0 EDADMP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000262040780 139245996 /nfs/dbraw/zinc/24/59/96/139245996.db2.gz TZQAYPQOEIAVDN-XJKSGUPXSA-N 2 1 337.851 1.582 20 0 EDADMP Oc1ccc(Br)c(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262129406 139253387 /nfs/dbraw/zinc/25/33/87/139253387.db2.gz NQNWLGSOUOFURY-CYBMUJFWSA-N 2 1 340.265 1.634 20 0 EDADMP Oc1ccc(Br)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262129406 139253388 /nfs/dbraw/zinc/25/33/88/139253388.db2.gz NQNWLGSOUOFURY-CYBMUJFWSA-N 2 1 340.265 1.634 20 0 EDADMP CN(CCCN1CC[NH+](C)CC1)Cc1nc(-c2cccs2)no1 ZINC000174711425 207049040 /nfs/dbraw/zinc/04/90/40/207049040.db2.gz CCBQYGWKGAHHFE-UHFFFAOYSA-N 2 1 335.477 1.867 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415944528 251036753 /nfs/dbraw/zinc/03/67/53/251036753.db2.gz AEFIPZQXABOWOZ-UHFFFAOYSA-N 2 1 333.480 1.683 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000415978819 251043369 /nfs/dbraw/zinc/04/33/69/251043369.db2.gz VPSIYLBQKWFCPG-MRXNPFEDSA-N 2 1 348.447 1.137 20 0 EDADMP C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000416879220 251116163 /nfs/dbraw/zinc/11/61/63/251116163.db2.gz JRYUYFCUYGHYLK-YJBOKZPZSA-N 2 1 346.475 1.398 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N1CC[NH2+]CC1 ZINC000417173044 251144748 /nfs/dbraw/zinc/14/47/48/251144748.db2.gz KYLGQJIFFYAEHU-UHFFFAOYSA-N 2 1 338.402 1.544 20 0 EDADMP C[C@@H]1[NH2+]CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@H]1C ZINC000417024769 251137994 /nfs/dbraw/zinc/13/79/94/251137994.db2.gz MPIXDIISIMHBOF-HOTGVXAUSA-N 2 1 330.476 1.827 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000417499039 251180944 /nfs/dbraw/zinc/18/09/44/251180944.db2.gz DNHBVXLYLMRIBX-SJORKVTESA-N 2 1 334.464 1.439 20 0 EDADMP [NH3+][C@H](CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000417498377 251181757 /nfs/dbraw/zinc/18/17/57/251181757.db2.gz FVTOGRHJENHSML-FUHWJXTLSA-N 2 1 330.476 1.588 20 0 EDADMP C[C@@H](CNC(=O)N1CCNC[C@@](C)(F)C1)[N@@H+](C)Cc1ccccc1 ZINC000417576312 251193664 /nfs/dbraw/zinc/19/36/64/251193664.db2.gz HERRNGWEQUJAJT-MAUKXSAKSA-N 2 1 336.455 1.850 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)[N@@H+](C)Cc1ccccc1 ZINC000417576312 251193672 /nfs/dbraw/zinc/19/36/72/251193672.db2.gz HERRNGWEQUJAJT-MAUKXSAKSA-N 2 1 336.455 1.850 20 0 EDADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262436255 139278855 /nfs/dbraw/zinc/27/88/55/139278855.db2.gz CFXATPBYZZYZMS-ARFHVFGLSA-N 2 1 337.851 1.316 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N(C)CC(C)(C)C[NH3+])CC2)[nH+]1 ZINC000417701602 251234138 /nfs/dbraw/zinc/23/41/38/251234138.db2.gz NQQJKVFDORVCKI-UHFFFAOYSA-N 2 1 333.480 1.985 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3C[NH2+]CC[C@@H]3C)CC2)[nH+]1 ZINC000417707155 251236332 /nfs/dbraw/zinc/23/63/32/251236332.db2.gz WYRLIPUEZWIWRC-BBRMVZONSA-N 2 1 331.464 1.656 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CCCC[C@H]3C[NH3+])CC2)[nH+]1 ZINC000417704554 251236348 /nfs/dbraw/zinc/23/63/48/251236348.db2.gz SPASGTGNIYYKMK-INIZCTEOSA-N 2 1 331.464 1.882 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC(C[NH3+])CC2)[C@@H](C)C1 ZINC000417669076 251221342 /nfs/dbraw/zinc/22/13/42/251221342.db2.gz KTMJVKWYNYUKHE-RDJZCZTQSA-N 2 1 340.512 1.504 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH3+])[C@H](C)C1 ZINC000417671727 251223112 /nfs/dbraw/zinc/22/31/12/251223112.db2.gz QZBJAVQFUYNUKG-PMPSAXMXSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417825766 251286990 /nfs/dbraw/zinc/28/69/90/251286990.db2.gz NMCWUKIECBIEQT-JLSDUUJJSA-N 2 1 330.476 1.934 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418112827 251327262 /nfs/dbraw/zinc/32/72/62/251327262.db2.gz ZFKIZLLGZZPQGE-BZSNNMDCSA-N 2 1 330.476 1.935 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[NH2+]C1)C1CC1 ZINC000418148200 251344255 /nfs/dbraw/zinc/34/42/55/251344255.db2.gz REGIFVNRGOZTPI-FUHWJXTLSA-N 2 1 330.476 1.806 20 0 EDADMP C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000415592419 304234564 /nfs/dbraw/zinc/23/45/64/304234564.db2.gz CDQOYEINRNUJSF-CQSZACIVSA-N 2 1 346.475 1.853 20 0 EDADMP CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422855963 252000431 /nfs/dbraw/zinc/00/04/31/252000431.db2.gz DNNJSCAHIMKZSI-IRXDYDNUSA-N 2 1 339.505 1.741 20 0 EDADMP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]CC[NH3+] ZINC000423179102 252044510 /nfs/dbraw/zinc/04/45/10/252044510.db2.gz GXSMYGXMNVKJBB-SECBINFHSA-N 2 1 327.450 1.807 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000423354049 252050477 /nfs/dbraw/zinc/05/04/77/252050477.db2.gz MRJYIFFXFCEGBC-YJBOKZPZSA-N 2 1 331.460 1.888 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000423784324 252072361 /nfs/dbraw/zinc/07/23/61/252072361.db2.gz RADXVJTVHFSBGQ-JLSDUUJJSA-N 2 1 341.459 1.317 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000423784324 252072365 /nfs/dbraw/zinc/07/23/65/252072365.db2.gz RADXVJTVHFSBGQ-JLSDUUJJSA-N 2 1 341.459 1.317 20 0 EDADMP COCC[C@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]C1 ZINC000423773557 252069699 /nfs/dbraw/zinc/06/96/99/252069699.db2.gz JPNQHOYYKCOEEP-ILZDJORESA-N 2 1 345.487 1.639 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423787962 252074746 /nfs/dbraw/zinc/07/47/46/252074746.db2.gz RROZUYCBGVGOEU-ZIAGYGMSSA-N 2 1 333.432 1.416 20 0 EDADMP Cn1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424133001 252135808 /nfs/dbraw/zinc/13/58/08/252135808.db2.gz LOXICQFKRLQKCA-ZNMIVQPWSA-N 2 1 331.464 1.244 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000424430767 252226965 /nfs/dbraw/zinc/22/69/65/252226965.db2.gz DBRSXOMETIRXKF-QGZVFWFLSA-N 2 1 334.464 1.812 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000424476023 252247141 /nfs/dbraw/zinc/24/71/41/252247141.db2.gz ZTHOQFBQNPTPCD-MRXNPFEDSA-N 2 1 330.432 1.087 20 0 EDADMP CCC[NH2+]CCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424482436 252249941 /nfs/dbraw/zinc/24/99/41/252249941.db2.gz UJKHKDLEYXBNRG-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000349913231 285033518 /nfs/dbraw/zinc/03/35/18/285033518.db2.gz IEYMBNFBFHQOSP-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP O=S1(=O)CC[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000366727549 285066977 /nfs/dbraw/zinc/06/69/77/285066977.db2.gz DPEATLAZHARPJL-DZGCQCFKSA-N 2 1 331.441 1.954 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)C2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263282629 139333070 /nfs/dbraw/zinc/33/30/70/139333070.db2.gz JZSSCVXNKINPLZ-ABAIWWIYSA-N 2 1 325.815 1.808 20 0 EDADMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1OCc1cccnc1 ZINC000263308713 139334891 /nfs/dbraw/zinc/33/48/91/139334891.db2.gz YFSKFNSGDQIHAV-SJORKVTESA-N 2 1 343.427 1.339 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000341994222 285202507 /nfs/dbraw/zinc/20/25/07/285202507.db2.gz LHOXBVBHBBXMPZ-GJZGRUSLSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000487146935 255026907 /nfs/dbraw/zinc/02/69/07/255026907.db2.gz IPUCAHIDPRMGNP-SJORKVTESA-N 2 1 336.524 1.060 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000487827211 255036784 /nfs/dbraw/zinc/03/67/84/255036784.db2.gz ZAHZWMGOOYPBRT-OVWQWFNUSA-N 2 1 334.508 1.842 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000487827211 255036786 /nfs/dbraw/zinc/03/67/86/255036786.db2.gz ZAHZWMGOOYPBRT-OVWQWFNUSA-N 2 1 334.508 1.842 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492262725 255166088 /nfs/dbraw/zinc/16/60/88/255166088.db2.gz QHYHNLHLBKDZJS-VURMDHGXSA-N 2 1 325.497 1.701 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000494038410 255233215 /nfs/dbraw/zinc/23/32/15/255233215.db2.gz ONNINYATEHXVQI-PKOBYXMFSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[C@H](C)[NH3+] ZINC000415799745 304274282 /nfs/dbraw/zinc/27/42/82/304274282.db2.gz DMSVNJIVYIGBHB-VHSXEESVSA-N 2 1 326.828 1.192 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000264186689 139385371 /nfs/dbraw/zinc/38/53/71/139385371.db2.gz NVHLZTCRELEJLM-GOSISDBHSA-N 2 1 330.476 1.508 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000264186689 139385372 /nfs/dbraw/zinc/38/53/72/139385372.db2.gz NVHLZTCRELEJLM-GOSISDBHSA-N 2 1 330.476 1.508 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C[C@@H]2[C@H](C)O)CC1 ZINC000331277657 141002381 /nfs/dbraw/zinc/00/23/81/141002381.db2.gz GHTMAPQLRTXKTQ-HLLBOEOZSA-N 2 1 325.497 1.457 20 0 EDADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n(C)c1C ZINC000331643434 141061109 /nfs/dbraw/zinc/06/11/09/141061109.db2.gz JPXCKOOVECXCAS-QZTJIDSGSA-N 2 1 349.475 1.588 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H](c2ccsc2)O1 ZINC000333083054 141260932 /nfs/dbraw/zinc/26/09/32/141260932.db2.gz BBTKNEOMRLRUDN-YCPHGPKFSA-N 2 1 337.489 1.707 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H](c2ccsc2)O1 ZINC000333083054 141260933 /nfs/dbraw/zinc/26/09/33/141260933.db2.gz BBTKNEOMRLRUDN-YCPHGPKFSA-N 2 1 337.489 1.707 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000333313722 141297492 /nfs/dbraw/zinc/29/74/92/141297492.db2.gz LZSDGWCUGQSOOY-IVMMDQJWSA-N 2 1 329.448 1.598 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N1CCC[N@H+](C)CC1)[NH+](C)C ZINC000339491328 142059303 /nfs/dbraw/zinc/05/93/03/142059303.db2.gz IVTZFKBQKKPLBZ-MRXNPFEDSA-N 2 1 334.464 1.645 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000339491328 142059305 /nfs/dbraw/zinc/05/93/05/142059305.db2.gz IVTZFKBQKKPLBZ-MRXNPFEDSA-N 2 1 334.464 1.645 20 0 EDADMP C[N@@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000339535646 142069480 /nfs/dbraw/zinc/06/94/80/142069480.db2.gz LNUNUACRWLHMPI-UHFFFAOYSA-N 2 1 346.475 1.366 20 0 EDADMP C[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000339535646 142069482 /nfs/dbraw/zinc/06/94/82/142069482.db2.gz LNUNUACRWLHMPI-UHFFFAOYSA-N 2 1 346.475 1.366 20 0 EDADMP Cc1ccc([C@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)[NH+](C)C)cc1 ZINC000343342102 142833302 /nfs/dbraw/zinc/83/33/02/142833302.db2.gz ULACLOCPPWNIRR-ZWKOTPCHSA-N 2 1 330.476 1.104 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000345641286 143115435 /nfs/dbraw/zinc/11/54/35/143115435.db2.gz OMDPWIHWMQCQMV-SJORKVTESA-N 2 1 337.439 1.654 20 0 EDADMP [NH3+][C@@H](CC(F)F)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000345712262 143124437 /nfs/dbraw/zinc/12/44/37/143124437.db2.gz MYYGGEBAYDLHCR-AWEZNQCLSA-N 2 1 329.366 1.843 20 0 EDADMP [NH3+][C@@H](CC(F)F)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000345712262 143124438 /nfs/dbraw/zinc/12/44/38/143124438.db2.gz MYYGGEBAYDLHCR-AWEZNQCLSA-N 2 1 329.366 1.843 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000345714701 143124752 /nfs/dbraw/zinc/12/47/52/143124752.db2.gz BNKBQNMDOCZNRB-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCC[NH+]2CCOC)C[C@@H]1C ZINC000345785556 143133156 /nfs/dbraw/zinc/13/31/56/143133156.db2.gz PZEPRDDVVZSNTJ-JYJNAYRXSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C[C@@H]1C ZINC000345785556 143133157 /nfs/dbraw/zinc/13/31/57/143133157.db2.gz PZEPRDDVVZSNTJ-JYJNAYRXSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)C[C@@H]1C ZINC000345785556 143133158 /nfs/dbraw/zinc/13/31/58/143133158.db2.gz PZEPRDDVVZSNTJ-JYJNAYRXSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000345788140 143133621 /nfs/dbraw/zinc/13/36/21/143133621.db2.gz RGJCRTJWSPMFGU-HZPDHXFCSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCC[N@H+]1C ZINC000345788140 143133622 /nfs/dbraw/zinc/13/36/22/143133622.db2.gz RGJCRTJWSPMFGU-HZPDHXFCSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CC(F)F)c2)CCO1 ZINC000345800502 143134910 /nfs/dbraw/zinc/13/49/10/143134910.db2.gz LTGIDIXXGUVDMS-WFASDCNBSA-N 2 1 341.402 1.506 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CC(F)F)c2)CCO1 ZINC000345800502 143134911 /nfs/dbraw/zinc/13/49/11/143134911.db2.gz LTGIDIXXGUVDMS-WFASDCNBSA-N 2 1 341.402 1.506 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000347031042 143273972 /nfs/dbraw/zinc/27/39/72/143273972.db2.gz NRDHWWVOHSBOAE-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000347031042 143273973 /nfs/dbraw/zinc/27/39/73/143273973.db2.gz NRDHWWVOHSBOAE-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000347031042 143273974 /nfs/dbraw/zinc/27/39/74/143273974.db2.gz NRDHWWVOHSBOAE-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000347043106 143275579 /nfs/dbraw/zinc/27/55/79/143275579.db2.gz FAXCZJZTYYOFAY-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000347043106 143275580 /nfs/dbraw/zinc/27/55/80/143275580.db2.gz FAXCZJZTYYOFAY-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000347043106 143275581 /nfs/dbraw/zinc/27/55/81/143275581.db2.gz FAXCZJZTYYOFAY-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000347183432 143292244 /nfs/dbraw/zinc/29/22/44/143292244.db2.gz XAJDEZKIQUFXSH-OAHLLOKOSA-N 2 1 333.432 1.135 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000347673638 143348213 /nfs/dbraw/zinc/34/82/13/143348213.db2.gz OZCXHQRHQFODCE-OAHLLOKOSA-N 2 1 339.505 1.607 20 0 EDADMP NC(=O)c1c[nH+]ccc1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000572694179 306597231 /nfs/dbraw/zinc/59/72/31/306597231.db2.gz RTCSLILLNZBMSU-UHFFFAOYSA-N 2 1 342.365 1.820 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000417666388 286060715 /nfs/dbraw/zinc/06/07/15/286060715.db2.gz CRIGRHLNLCEKFQ-JYJNAYRXSA-N 2 1 328.501 1.278 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000416857121 304352102 /nfs/dbraw/zinc/35/21/02/304352102.db2.gz XUTIYXHWPMIDIC-IMJJTQAJSA-N 2 1 334.464 1.677 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000369880609 155216262 /nfs/dbraw/zinc/21/62/62/155216262.db2.gz BRRDSVFJIHVPLO-UKRRQHHQSA-N 2 1 348.472 1.799 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199938 286068599 /nfs/dbraw/zinc/06/85/99/286068599.db2.gz MQRYFRUHABHNSJ-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C[N@H+]1C ZINC000352778079 149163034 /nfs/dbraw/zinc/16/30/34/149163034.db2.gz FGNSROJDIQCGNE-SJORKVTESA-N 2 1 345.491 1.145 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CSC[C@@H]2C)CC1 ZINC000352814580 149177412 /nfs/dbraw/zinc/17/74/12/149177412.db2.gz IVKPYIZQROYHEU-FUHWJXTLSA-N 2 1 347.528 1.980 20 0 EDADMP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000353084733 149279988 /nfs/dbraw/zinc/27/99/88/149279988.db2.gz HBRDXRYDELVREP-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP COCC1(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCCC1 ZINC000353130132 149298428 /nfs/dbraw/zinc/29/84/28/149298428.db2.gz UVDBKWUDHBLRND-UHFFFAOYSA-N 2 1 347.507 1.915 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000354957798 150054447 /nfs/dbraw/zinc/05/44/47/150054447.db2.gz GYSHBEZTIKKTFK-IAGOWNOFSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000354957798 150054450 /nfs/dbraw/zinc/05/44/50/150054450.db2.gz GYSHBEZTIKKTFK-IAGOWNOFSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000354957798 150054453 /nfs/dbraw/zinc/05/44/53/150054453.db2.gz GYSHBEZTIKKTFK-IAGOWNOFSA-N 2 1 338.496 1.101 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]2C(C)(C)C)C1 ZINC000355346846 150226284 /nfs/dbraw/zinc/22/62/84/150226284.db2.gz UIRFGLCLUTWXCV-IAGOWNOFSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)C)C1 ZINC000355346846 150226287 /nfs/dbraw/zinc/22/62/87/150226287.db2.gz UIRFGLCLUTWXCV-IAGOWNOFSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H]2C(C)(C)C)C1 ZINC000355346846 150226289 /nfs/dbraw/zinc/22/62/89/150226289.db2.gz UIRFGLCLUTWXCV-IAGOWNOFSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000417040302 304364760 /nfs/dbraw/zinc/36/47/60/304364760.db2.gz KKGBYBNPMKJQRV-UONOGXRCSA-N 2 1 332.439 1.795 20 0 EDADMP C[N@@H+](CCCNC(=O)NCCCN1CC[NH2+]CC1)C1CCCCC1 ZINC000417044954 304365745 /nfs/dbraw/zinc/36/57/45/304365745.db2.gz YMEDQTHZKKXACF-UHFFFAOYSA-N 2 1 339.528 1.236 20 0 EDADMP C[C@H]1C[C@H](NC(=O)c2cccc(CN3CCOCC3)c2)CC[N@H+]1C ZINC000357407938 151022924 /nfs/dbraw/zinc/02/29/24/151022924.db2.gz FXQKECVMXMPULD-MAUKXSAKSA-N 2 1 331.460 1.731 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000358103566 151271317 /nfs/dbraw/zinc/27/13/17/151271317.db2.gz UFFLDOWIJIVQIP-WBVHZDCISA-N 2 1 338.496 1.389 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC[NH+]1CCOC ZINC000358103566 151271322 /nfs/dbraw/zinc/27/13/22/151271322.db2.gz UFFLDOWIJIVQIP-WBVHZDCISA-N 2 1 338.496 1.389 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC[NH+]1CCOC ZINC000358103566 151271324 /nfs/dbraw/zinc/27/13/24/151271324.db2.gz UFFLDOWIJIVQIP-WBVHZDCISA-N 2 1 338.496 1.389 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000358275034 151323397 /nfs/dbraw/zinc/32/33/97/151323397.db2.gz MPLLSYSZFWQQDN-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000358275034 151323399 /nfs/dbraw/zinc/32/33/99/151323399.db2.gz MPLLSYSZFWQQDN-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000358275034 151323402 /nfs/dbraw/zinc/32/34/02/151323402.db2.gz MPLLSYSZFWQQDN-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1OC ZINC000360572833 152103845 /nfs/dbraw/zinc/10/38/45/152103845.db2.gz MPVFCOBCPCFYPV-ZIAGYGMSSA-N 2 1 334.420 1.503 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000360888667 152242801 /nfs/dbraw/zinc/24/28/01/152242801.db2.gz NJDQEIHJQJUYAH-YESZJQIVSA-N 2 1 340.512 1.469 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000360888667 152242803 /nfs/dbraw/zinc/24/28/03/152242803.db2.gz NJDQEIHJQJUYAH-YESZJQIVSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)/C=C/C[NH+](C)C ZINC000361107524 152307704 /nfs/dbraw/zinc/30/77/04/152307704.db2.gz QADBSOYETXOUDF-ZNOOQZCJSA-N 2 1 345.487 1.852 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3ccnnc3)CC2)CC1 ZINC000361167909 152324930 /nfs/dbraw/zinc/32/49/30/152324930.db2.gz HXRPSQCXRZTWPF-UHFFFAOYSA-N 2 1 331.464 1.403 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CC(C)(C)O)CC1 ZINC000364163562 153160215 /nfs/dbraw/zinc/16/02/15/153160215.db2.gz ZXQGTNPIXDXAQX-MRXNPFEDSA-N 2 1 325.497 1.555 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364163562 153160217 /nfs/dbraw/zinc/16/02/17/153160217.db2.gz ZXQGTNPIXDXAQX-MRXNPFEDSA-N 2 1 325.497 1.555 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000364163562 153160220 /nfs/dbraw/zinc/16/02/20/153160220.db2.gz ZXQGTNPIXDXAQX-MRXNPFEDSA-N 2 1 325.497 1.555 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)C1CC1 ZINC000364203195 153172002 /nfs/dbraw/zinc/17/20/02/153172002.db2.gz YXYYNZKBWKDCGA-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)[NH+](C)C ZINC000364548006 153266308 /nfs/dbraw/zinc/26/63/08/153266308.db2.gz SRBLGAGGULNKLN-YYIAUSFCSA-N 2 1 325.497 1.578 20 0 EDADMP CN(C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000364647244 153293100 /nfs/dbraw/zinc/29/31/00/153293100.db2.gz PJLROZHSHPUDJR-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CN(C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000364647244 153293102 /nfs/dbraw/zinc/29/31/02/153293102.db2.gz PJLROZHSHPUDJR-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP C[N@@H+](CC(=O)N1CCc2ccccc2C1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364668758 153299520 /nfs/dbraw/zinc/29/95/20/153299520.db2.gz AZGVZFRTOBULTH-INIZCTEOSA-N 2 1 338.455 1.962 20 0 EDADMP C[N@H+](CC(=O)N1CCc2ccccc2C1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364668758 153299523 /nfs/dbraw/zinc/29/95/23/153299523.db2.gz AZGVZFRTOBULTH-INIZCTEOSA-N 2 1 338.455 1.962 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417240110 304386943 /nfs/dbraw/zinc/38/69/43/304386943.db2.gz PDRRUBKSVRAVAR-ARFHVFGLSA-N 2 1 340.512 1.645 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000417277970 304388892 /nfs/dbraw/zinc/38/88/92/304388892.db2.gz IYDUIBKJYFOJNB-GFCCVEGCSA-N 2 1 333.411 1.975 20 0 EDADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)o1 ZINC000367109497 154010491 /nfs/dbraw/zinc/01/04/91/154010491.db2.gz JILDIVMNEZBACB-HNNXBMFYSA-N 2 1 335.448 1.526 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)o1 ZINC000367109497 154010493 /nfs/dbraw/zinc/01/04/93/154010493.db2.gz JILDIVMNEZBACB-HNNXBMFYSA-N 2 1 335.448 1.526 20 0 EDADMP C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367310525 154075208 /nfs/dbraw/zinc/07/52/08/154075208.db2.gz SSKXMAXYSIWJHP-LSDHHAIUSA-N 2 1 343.475 2.000 20 0 EDADMP C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367310525 154075210 /nfs/dbraw/zinc/07/52/10/154075210.db2.gz SSKXMAXYSIWJHP-LSDHHAIUSA-N 2 1 343.475 2.000 20 0 EDADMP Cc1c([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cnn1C ZINC000367334746 154080504 /nfs/dbraw/zinc/08/05/04/154080504.db2.gz QJTVCOFVZVSGIN-SFHVURJKSA-N 2 1 347.507 1.854 20 0 EDADMP Cc1c([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cnn1C ZINC000367334746 154080507 /nfs/dbraw/zinc/08/05/07/154080507.db2.gz QJTVCOFVZVSGIN-SFHVURJKSA-N 2 1 347.507 1.854 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367709424 154238435 /nfs/dbraw/zinc/23/84/35/154238435.db2.gz SVYBTPPSHRJMMC-SJPCQFCGSA-N 2 1 347.507 1.622 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(C)(C)CN1CCn2ccnc2C1 ZINC000367953013 154341009 /nfs/dbraw/zinc/34/10/09/154341009.db2.gz XRIIVUOIDXLVJU-JKSUJKDBSA-N 2 1 347.507 1.524 20 0 EDADMP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000367953013 154341014 /nfs/dbraw/zinc/34/10/14/154341014.db2.gz XRIIVUOIDXLVJU-JKSUJKDBSA-N 2 1 347.507 1.524 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000367953013 154341018 /nfs/dbraw/zinc/34/10/18/154341018.db2.gz XRIIVUOIDXLVJU-JKSUJKDBSA-N 2 1 347.507 1.524 20 0 EDADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000367953013 154341021 /nfs/dbraw/zinc/34/10/21/154341021.db2.gz XRIIVUOIDXLVJU-JKSUJKDBSA-N 2 1 347.507 1.524 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000367992623 154358668 /nfs/dbraw/zinc/35/86/68/154358668.db2.gz HEROKPTUCMXWDR-DLBZAZTESA-N 2 1 344.459 1.761 20 0 EDADMP CCOC(=O)CCCC[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372367758 156355172 /nfs/dbraw/zinc/35/51/72/156355172.db2.gz HRIXACANMYJPQG-KRWDZBQOSA-N 2 1 325.497 1.679 20 0 EDADMP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1)C1CCOCC1 ZINC000374603406 157342199 /nfs/dbraw/zinc/34/21/99/157342199.db2.gz MSJCAJKNKYJKGV-MOPGFXCFSA-N 2 1 345.487 1.564 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2COc2ccc(F)cc2)CC1 ZINC000374618119 157347057 /nfs/dbraw/zinc/34/70/57/157347057.db2.gz GEHXERGDJGHWMQ-QGZVFWFLSA-N 2 1 349.450 1.833 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2COc2ccc(F)cc2)CC1 ZINC000374618119 157347063 /nfs/dbraw/zinc/34/70/63/157347063.db2.gz GEHXERGDJGHWMQ-QGZVFWFLSA-N 2 1 349.450 1.833 20 0 EDADMP CN1CCN(C(=O)C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)CC1 ZINC000374728789 157379508 /nfs/dbraw/zinc/37/95/08/157379508.db2.gz UVYIKVURHQJERT-MRXNPFEDSA-N 2 1 327.432 1.057 20 0 EDADMP CN1CCN(C(=O)CN2CC[C@@H](n3ncc4ccccc43)C2)CC1 ZINC000374728789 157379511 /nfs/dbraw/zinc/37/95/11/157379511.db2.gz UVYIKVURHQJERT-MRXNPFEDSA-N 2 1 327.432 1.057 20 0 EDADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377634471 157962757 /nfs/dbraw/zinc/96/27/57/157962757.db2.gz XNWLPSMDZCTVMH-WMZOPIPTSA-N 2 1 344.507 1.287 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H]3OCCN(C)[C@H]3C2)C1 ZINC000377995129 158050619 /nfs/dbraw/zinc/05/06/19/158050619.db2.gz UMUQLABFIZFVCO-HRCADAONSA-N 2 1 338.496 1.221 20 0 EDADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3CCCS(=O)(=O)C3)C2)nc(C)[nH+]1 ZINC000378479163 158185141 /nfs/dbraw/zinc/18/51/41/158185141.db2.gz VHYWVBFBTPCBKB-HUUCEWRRSA-N 2 1 338.477 1.229 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262718285 287013797 /nfs/dbraw/zinc/01/37/97/287013797.db2.gz HFSDNXPFFUOZAD-CVEARBPZSA-N 2 1 333.480 1.802 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000074223827 287269212 /nfs/dbraw/zinc/26/92/12/287269212.db2.gz UNRYIIAGJIQTDY-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000111735488 287338491 /nfs/dbraw/zinc/33/84/91/287338491.db2.gz RRPPIFQEHCDOKC-QGZVFWFLSA-N 2 1 339.528 1.045 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000111735488 287338496 /nfs/dbraw/zinc/33/84/96/287338496.db2.gz RRPPIFQEHCDOKC-QGZVFWFLSA-N 2 1 339.528 1.045 20 0 EDADMP C[C@@H](O)C[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665760643 452329853 /nfs/dbraw/zinc/32/98/53/452329853.db2.gz MBUADKMPADTIAT-XHSDSOJGSA-N 2 1 328.501 1.203 20 0 EDADMP CO[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC[C@@H]1C ZINC000665761517 452334242 /nfs/dbraw/zinc/33/42/42/452334242.db2.gz GSHZEQPLELXLFE-JYJNAYRXSA-N 2 1 328.501 1.325 20 0 EDADMP CO[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC[C@@H]1C ZINC000665761517 452334251 /nfs/dbraw/zinc/33/42/51/452334251.db2.gz GSHZEQPLELXLFE-JYJNAYRXSA-N 2 1 328.501 1.325 20 0 EDADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NCC3C[NH2+]C3)CC2)cc1 ZINC000418482474 304500994 /nfs/dbraw/zinc/50/09/94/304500994.db2.gz DURMSAQJJWRBTM-UHFFFAOYSA-N 2 1 330.476 1.857 20 0 EDADMP [NH3+]C[C@@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000238071604 273014225 /nfs/dbraw/zinc/01/42/25/273014225.db2.gz YDHGYZVHTXTLAK-SFHVURJKSA-N 2 1 330.476 1.002 20 0 EDADMP CC[C@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[NH+](CC)CC ZINC000273141696 267988179 /nfs/dbraw/zinc/98/81/79/267988179.db2.gz UPVAOOZMVRPBRF-RBUKOAKNSA-N 2 1 347.503 1.990 20 0 EDADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274811627 268212743 /nfs/dbraw/zinc/21/27/43/268212743.db2.gz IAUYNADJZAKMHJ-DOTOQJQBSA-N 2 1 346.475 1.722 20 0 EDADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274811627 268212745 /nfs/dbraw/zinc/21/27/45/268212745.db2.gz IAUYNADJZAKMHJ-DOTOQJQBSA-N 2 1 346.475 1.722 20 0 EDADMP COc1cccc([C@H]2CCC[N@H+]2CCC(=O)N2CCN(C)CC2)c1 ZINC000275330150 268323754 /nfs/dbraw/zinc/32/37/54/268323754.db2.gz VTQKCENHGSMAIF-GOSISDBHSA-N 2 1 331.460 1.996 20 0 EDADMP COc1cccc([C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000275330150 268323756 /nfs/dbraw/zinc/32/37/56/268323756.db2.gz VTQKCENHGSMAIF-GOSISDBHSA-N 2 1 331.460 1.996 20 0 EDADMP COc1cccc([C@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000275330150 268323758 /nfs/dbraw/zinc/32/37/58/268323758.db2.gz VTQKCENHGSMAIF-GOSISDBHSA-N 2 1 331.460 1.996 20 0 EDADMP O[C@@H](C[NH2+]Cc1ccc(Cl)cc1-n1cncn1)C[NH+]1CCCC1 ZINC000279792234 273327515 /nfs/dbraw/zinc/32/75/15/273327515.db2.gz CYVIMIPTURGNKQ-HNNXBMFYSA-N 2 1 335.839 1.467 20 0 EDADMP C[C@@H](CCC[NH3+])NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417721385 274208241 /nfs/dbraw/zinc/20/82/41/274208241.db2.gz ACRBFNUDNXSURB-IRXDYDNUSA-N 2 1 347.507 1.624 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975674 452721202 /nfs/dbraw/zinc/72/12/02/452721202.db2.gz DMTWYGOKKLJCEP-GVDBMIGSSA-N 2 1 325.497 1.629 20 0 EDADMP CCOC(=O)c1c[nH+]c2cc3c(cc2c1N1C[C@@H](C)[C@@H]([NH3+])C1)OCO3 ZINC000420285451 276302125 /nfs/dbraw/zinc/30/21/25/276302125.db2.gz VPNOAEGJIQFNFA-MFKMUULPSA-N 2 1 343.383 1.924 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@H]2C1 ZINC000355381328 276396629 /nfs/dbraw/zinc/39/66/29/276396629.db2.gz HICZMGGTFOFKFE-SQNIBIBYSA-N 2 1 335.492 1.715 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@H]2C1 ZINC000355381328 276396630 /nfs/dbraw/zinc/39/66/30/276396630.db2.gz HICZMGGTFOFKFE-SQNIBIBYSA-N 2 1 335.492 1.715 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@H]2C1 ZINC000355381328 276396631 /nfs/dbraw/zinc/39/66/31/276396631.db2.gz HICZMGGTFOFKFE-SQNIBIBYSA-N 2 1 335.492 1.715 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c2ccccc2)CC1 ZINC000248641786 276929762 /nfs/dbraw/zinc/92/97/62/276929762.db2.gz RKXOAMSFCQKLQB-OKYOBFRVSA-N 2 1 342.487 1.171 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)C1 ZINC000363220740 277053777 /nfs/dbraw/zinc/05/37/77/277053777.db2.gz HCHABPFTWROEHV-MRXNPFEDSA-N 2 1 348.466 1.866 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)C1 ZINC000363220740 277053778 /nfs/dbraw/zinc/05/37/78/277053778.db2.gz HCHABPFTWROEHV-MRXNPFEDSA-N 2 1 348.466 1.866 20 0 EDADMP COC(=O)[C@@](C)(O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000353505779 277112706 /nfs/dbraw/zinc/11/27/06/277112706.db2.gz YUCLMAIYZNONMU-DAYGRLMNSA-N 2 1 342.480 1.122 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000378277513 277210293 /nfs/dbraw/zinc/21/02/93/277210293.db2.gz NFJDKWMKMCZZPY-RBUKOAKNSA-N 2 1 343.471 1.933 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000378277513 277210294 /nfs/dbraw/zinc/21/02/94/277210294.db2.gz NFJDKWMKMCZZPY-RBUKOAKNSA-N 2 1 343.471 1.933 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000378277513 277210295 /nfs/dbraw/zinc/21/02/95/277210295.db2.gz NFJDKWMKMCZZPY-RBUKOAKNSA-N 2 1 343.471 1.933 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000378277513 277210296 /nfs/dbraw/zinc/21/02/96/277210296.db2.gz NFJDKWMKMCZZPY-RBUKOAKNSA-N 2 1 343.471 1.933 20 0 EDADMP CC(C)(CNC(=O)C[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000269241185 277300144 /nfs/dbraw/zinc/30/01/44/277300144.db2.gz QWOQTHKUJQBUHW-KRWDZBQOSA-N 2 1 331.460 1.318 20 0 EDADMP CC(C)(CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)[N@H+]1CCc2ccccc2C1 ZINC000364594706 277302214 /nfs/dbraw/zinc/30/22/14/277302214.db2.gz WSTCBPSKJPDPSV-PXNSSMCTSA-N 2 1 327.472 1.939 20 0 EDADMP COC(=O)c1csc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000286275048 287972077 /nfs/dbraw/zinc/97/20/77/287972077.db2.gz VNHFOPVYOSNZBF-OLZOCXBDSA-N 2 1 325.478 1.821 20 0 EDADMP COC(=O)c1csc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000286348875 287987060 /nfs/dbraw/zinc/98/70/60/287987060.db2.gz YQQHLYOYOJYUGQ-LBPRGKRZSA-N 2 1 339.461 1.349 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000091367812 278272316 /nfs/dbraw/zinc/27/23/16/278272316.db2.gz GTNMQOFTTCEUPS-CFVMTHIKSA-N 2 1 325.478 1.857 20 0 EDADMP C[C@@H](CNC(=O)NCCCN1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000417563104 278274473 /nfs/dbraw/zinc/27/44/73/278274473.db2.gz CWCWPWWTZOPLJO-KRWDZBQOSA-N 2 1 347.507 1.101 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)N2CCOCC2)C1 ZINC000072974840 278333255 /nfs/dbraw/zinc/33/32/55/278333255.db2.gz YIMQFDDSNWMOSZ-ZWKOTPCHSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000072974840 278333258 /nfs/dbraw/zinc/33/32/58/278333258.db2.gz YIMQFDDSNWMOSZ-ZWKOTPCHSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000072974840 278333262 /nfs/dbraw/zinc/33/32/62/278333262.db2.gz YIMQFDDSNWMOSZ-ZWKOTPCHSA-N 2 1 337.508 1.822 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000351595361 279124100 /nfs/dbraw/zinc/12/41/00/279124100.db2.gz PTVUYHVMPUKHQY-ARFHVFGLSA-N 2 1 328.501 1.059 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1)C1CC1 ZINC000102064755 279193564 /nfs/dbraw/zinc/19/35/64/279193564.db2.gz XHIMZIAXUYEIHM-OAHLLOKOSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+](CCNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)C1CC1 ZINC000102064755 279193566 /nfs/dbraw/zinc/19/35/66/279193566.db2.gz XHIMZIAXUYEIHM-OAHLLOKOSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+](CCNC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)C1CC1 ZINC000102064755 279193567 /nfs/dbraw/zinc/19/35/67/279193567.db2.gz XHIMZIAXUYEIHM-OAHLLOKOSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000357795090 279270683 /nfs/dbraw/zinc/27/06/83/279270683.db2.gz IMSCIHWQUXLKBE-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000357795090 279270684 /nfs/dbraw/zinc/27/06/84/279270684.db2.gz IMSCIHWQUXLKBE-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCCCO1 ZINC000446132279 279302300 /nfs/dbraw/zinc/30/23/00/279302300.db2.gz VHMCXHSBBJYFHO-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000333857197 288189183 /nfs/dbraw/zinc/18/91/83/288189183.db2.gz RFDCYUUQQVVTBU-TWMKSMIVSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000333857197 288189184 /nfs/dbraw/zinc/18/91/84/288189184.db2.gz RFDCYUUQQVVTBU-TWMKSMIVSA-N 2 1 338.496 1.412 20 0 EDADMP CC(C)[C@H](C(=O)N(C)CC[NH+]1CCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000343497965 280136473 /nfs/dbraw/zinc/13/64/73/280136473.db2.gz XVFXSHSLJIENJH-BRWVUGGUSA-N 2 1 325.497 1.674 20 0 EDADMP C[C@]1(CNc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000415112702 280160595 /nfs/dbraw/zinc/16/05/95/280160595.db2.gz DFEOFYIRYZMYFE-APWZRJJASA-N 2 1 330.476 1.795 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[NH+](C)C ZINC000369164223 280174689 /nfs/dbraw/zinc/17/46/89/280174689.db2.gz OJYAQNLYFTYDNA-QZTJIDSGSA-N 2 1 332.492 1.996 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000287312669 288207223 /nfs/dbraw/zinc/20/72/23/288207223.db2.gz GXAKLFDUPZGNCM-FUHWJXTLSA-N 2 1 332.492 1.800 20 0 EDADMP CC[C@@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000422244364 280353579 /nfs/dbraw/zinc/35/35/79/280353579.db2.gz LHCIBVLOUCKGEC-KZYLPZIUSA-N 2 1 340.512 1.346 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000287665816 288289591 /nfs/dbraw/zinc/28/95/91/288289591.db2.gz VNDRSXLAKGFTQH-HUUCEWRRSA-N 2 1 327.428 1.889 20 0 EDADMP C[NH+](C)C1(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000496536940 282026822 /nfs/dbraw/zinc/02/68/22/282026822.db2.gz VZBQYXKPYYRRSY-UHFFFAOYSA-N 2 1 325.457 1.158 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000288019678 288382822 /nfs/dbraw/zinc/38/28/22/288382822.db2.gz SQIXZNNOELJRHT-MRXNPFEDSA-N 2 1 349.479 1.031 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000288019678 288382823 /nfs/dbraw/zinc/38/28/23/288382823.db2.gz SQIXZNNOELJRHT-MRXNPFEDSA-N 2 1 349.479 1.031 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000291598257 289119296 /nfs/dbraw/zinc/11/92/96/289119296.db2.gz GVUGTIACXOAWDS-UYAOXDASSA-N 2 1 342.487 1.998 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000291598257 289119299 /nfs/dbraw/zinc/11/92/99/289119299.db2.gz GVUGTIACXOAWDS-UYAOXDASSA-N 2 1 342.487 1.998 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000291598257 289119301 /nfs/dbraw/zinc/11/93/01/289119301.db2.gz GVUGTIACXOAWDS-UYAOXDASSA-N 2 1 342.487 1.998 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000378120470 289131345 /nfs/dbraw/zinc/13/13/45/289131345.db2.gz HUQSIFHGAWCGRV-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378120470 289131346 /nfs/dbraw/zinc/13/13/46/289131346.db2.gz HUQSIFHGAWCGRV-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378120470 289131348 /nfs/dbraw/zinc/13/13/48/289131348.db2.gz HUQSIFHGAWCGRV-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCCN(C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC[NH+](C)C ZINC000378120470 289131350 /nfs/dbraw/zinc/13/13/50/289131350.db2.gz HUQSIFHGAWCGRV-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCCN(C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)CC[NH+](C)C ZINC000378120470 289131351 /nfs/dbraw/zinc/13/13/51/289131351.db2.gz HUQSIFHGAWCGRV-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)N1CC[NH+](C)CC1 ZINC000291724732 289162531 /nfs/dbraw/zinc/16/25/31/289162531.db2.gz HRWXEKGAITXYMX-SCTDSRPQSA-N 2 1 344.503 1.402 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)N1CC[NH+](C)CC1 ZINC000291724732 289162534 /nfs/dbraw/zinc/16/25/34/289162534.db2.gz HRWXEKGAITXYMX-SCTDSRPQSA-N 2 1 344.503 1.402 20 0 EDADMP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355026868 289265404 /nfs/dbraw/zinc/26/54/04/289265404.db2.gz BERJDBDCIHJYAF-DLBZAZTESA-N 2 1 336.524 1.488 20 0 EDADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355026868 289265406 /nfs/dbraw/zinc/26/54/06/289265406.db2.gz BERJDBDCIHJYAF-DLBZAZTESA-N 2 1 336.524 1.488 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000186472732 289359773 /nfs/dbraw/zinc/35/97/73/289359773.db2.gz SPGVLNYTHCLXAL-JZXOWHBKSA-N 2 1 332.492 1.430 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H]1c1ccccc1 ZINC000248961330 290143030 /nfs/dbraw/zinc/14/30/30/290143030.db2.gz HQOYSYXUZSPRKQ-NVXWUHKLSA-N 2 1 325.416 1.231 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000354700202 293695152 /nfs/dbraw/zinc/69/51/52/293695152.db2.gz DSBQCFPDYFMTQL-CQSZACIVSA-N 2 1 330.436 1.293 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000331447282 293695166 /nfs/dbraw/zinc/69/51/66/293695166.db2.gz WREZOCUDSMJBEF-UHFFFAOYSA-N 2 1 344.463 1.827 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])c2)C1 ZINC000422886880 295255834 /nfs/dbraw/zinc/25/58/34/295255834.db2.gz JWEJQTLNVCLWOL-FHWLQOOXSA-N 3 1 344.503 1.601 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000418699999 304529876 /nfs/dbraw/zinc/52/98/76/304529876.db2.gz OKACVRDWHYFJDR-HZPDHXFCSA-N 2 1 333.480 1.186 20 0 EDADMP C[C@H](CC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000361720339 298308198 /nfs/dbraw/zinc/30/81/98/298308198.db2.gz YAHDEJLCZBVNHA-BPQIPLTHSA-N 2 1 337.508 1.772 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000419406801 304607975 /nfs/dbraw/zinc/60/79/75/304607975.db2.gz JGIASQWPZSSXPX-KGLIPLIRSA-N 2 1 340.493 1.101 20 0 EDADMP C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H](C)C[NH2+]1 ZINC000333930460 300142244 /nfs/dbraw/zinc/14/22/44/300142244.db2.gz ZDMVJTWLHNVGON-HOTGVXAUSA-N 2 1 338.496 1.413 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000430572544 305056613 /nfs/dbraw/zinc/05/66/13/305056613.db2.gz PPBMCDSHOHYANY-ZFWWWQNUSA-N 2 1 326.485 1.839 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000430572544 305056614 /nfs/dbraw/zinc/05/66/14/305056614.db2.gz PPBMCDSHOHYANY-ZFWWWQNUSA-N 2 1 326.485 1.839 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420373926 304752952 /nfs/dbraw/zinc/75/29/52/304752952.db2.gz ZPIRXCDZVOCRHK-MRXNPFEDSA-N 2 1 333.476 1.776 20 0 EDADMP CC(C)c1ccc(OCCNC(=O)C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000420409235 304756229 /nfs/dbraw/zinc/75/62/29/304756229.db2.gz YDJKQWQLVSGQFF-UHFFFAOYSA-N 2 1 349.475 1.091 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000655241830 453359746 /nfs/dbraw/zinc/35/97/46/453359746.db2.gz SDDJIQBBAMOUIM-OAGGEKHMSA-N 2 1 325.497 1.721 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000295210605 303189061 /nfs/dbraw/zinc/18/90/61/303189061.db2.gz ALXPVBGTMNMOFP-SFHVURJKSA-N 2 1 346.519 1.699 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295245432 303193936 /nfs/dbraw/zinc/19/39/36/303193936.db2.gz PVTJMRPCMMKYRM-CGTJXYLNSA-N 2 1 345.487 1.923 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@H+](C)Cc1ccccc1 ZINC000295299586 303201626 /nfs/dbraw/zinc/20/16/26/303201626.db2.gz AYOIRNTZOBHJQY-SJLPKXTDSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@@H+](C)Cc1ccccc1 ZINC000295299586 303201629 /nfs/dbraw/zinc/20/16/29/303201629.db2.gz AYOIRNTZOBHJQY-SJLPKXTDSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+](C)Cc1ccccc1 ZINC000295299586 303201630 /nfs/dbraw/zinc/20/16/30/303201630.db2.gz AYOIRNTZOBHJQY-SJLPKXTDSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+](C)Cc1ccccc1 ZINC000295299586 303201633 /nfs/dbraw/zinc/20/16/33/303201633.db2.gz AYOIRNTZOBHJQY-SJLPKXTDSA-N 2 1 333.476 1.470 20 0 EDADMP Cc1nc(N2CCOCC2)ccc1NC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000297070282 303359020 /nfs/dbraw/zinc/35/90/20/303359020.db2.gz MDYQUKADSRCKDC-CQSZACIVSA-N 2 1 333.436 1.300 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3CCN(c4ccccn4)C3)C2)C1 ZINC000297137860 303364211 /nfs/dbraw/zinc/36/42/11/303364211.db2.gz CIKDMORQGRXTLB-VQIMIIECSA-N 2 1 343.475 1.788 20 0 EDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC[NH2+]1 ZINC000656787794 453447748 /nfs/dbraw/zinc/44/77/48/453447748.db2.gz VUBCIZLUJSYQCB-WYUUTHIRSA-N 2 1 328.400 1.282 20 0 EDADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414873782 447337344 /nfs/dbraw/zinc/33/73/44/447337344.db2.gz HAQBUYHNPJYHQS-UHFFFAOYSA-N 2 1 346.353 1.171 20 0 EDADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H](C)[N@@H+]1CCO ZINC000456240392 447347193 /nfs/dbraw/zinc/34/71/93/447347193.db2.gz KXHJHNBIZCQAPC-IYBDPMFKSA-N 2 1 325.497 1.412 20 0 EDADMP COc1ccc(COCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000422985430 304882148 /nfs/dbraw/zinc/88/21/48/304882148.db2.gz DSNNHGXJUQXGPK-OTWHNJEPSA-N 2 1 334.460 1.959 20 0 EDADMP OC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423120867 304887716 /nfs/dbraw/zinc/88/77/16/304887716.db2.gz HPVLJHBLJCIDMR-MFKWGIFDSA-N 2 1 330.472 1.899 20 0 EDADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H](C)[N@H+]1CCO ZINC000456240392 447347189 /nfs/dbraw/zinc/34/71/89/447347189.db2.gz KXHJHNBIZCQAPC-IYBDPMFKSA-N 2 1 325.497 1.412 20 0 EDADMP COCC[C@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000428755315 305016748 /nfs/dbraw/zinc/01/67/48/305016748.db2.gz XANBGUIHQLXQFY-HXUWFJFHSA-N 2 1 345.487 1.737 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CC(F)(F)C1 ZINC000429262922 305026940 /nfs/dbraw/zinc/02/69/40/305026940.db2.gz WIVCOBSHTVLENG-AWEZNQCLSA-N 2 1 332.439 1.842 20 0 EDADMP Cc1cccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)n2)c1 ZINC000430611878 305059034 /nfs/dbraw/zinc/05/90/34/305059034.db2.gz PXSQAPYPGIBZMA-OAHLLOKOSA-N 2 1 343.431 1.332 20 0 EDADMP Cc1cccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)n2)c1 ZINC000430611878 305059035 /nfs/dbraw/zinc/05/90/35/305059035.db2.gz PXSQAPYPGIBZMA-OAHLLOKOSA-N 2 1 343.431 1.332 20 0 EDADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1C ZINC000430614468 305059083 /nfs/dbraw/zinc/05/90/83/305059083.db2.gz ZIAAETLBORIDJB-HZPDHXFCSA-N 2 1 346.475 1.417 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(C)(C)C[NH3+])C[C@H](C)O1 ZINC000430692594 305062503 /nfs/dbraw/zinc/06/25/03/305062503.db2.gz TUSQLDCVVZAYAS-GJZGRUSLSA-N 2 1 333.476 1.897 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2C[NH2+]CCO2)[C@@H]1c1cccs1 ZINC000430809168 305065158 /nfs/dbraw/zinc/06/51/58/305065158.db2.gz GDWJHPWNMBDKFX-JKIFEVAISA-N 2 1 337.489 1.626 20 0 EDADMP C[NH2+]CCCC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430877781 305066696 /nfs/dbraw/zinc/06/66/96/305066696.db2.gz KARFQDSGNNDFED-OAHLLOKOSA-N 2 1 332.448 1.322 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430944847 305069893 /nfs/dbraw/zinc/06/98/93/305069893.db2.gz VAQCWVLYPMPESZ-RKVPGOIHSA-N 2 1 348.466 1.532 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430944847 305069894 /nfs/dbraw/zinc/06/98/94/305069894.db2.gz VAQCWVLYPMPESZ-RKVPGOIHSA-N 2 1 348.466 1.532 20 0 EDADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000430950900 305070350 /nfs/dbraw/zinc/07/03/50/305070350.db2.gz JRZBGUYUUIZANQ-ZDUSSCGKSA-N 2 1 327.375 1.227 20 0 EDADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000430950900 305070351 /nfs/dbraw/zinc/07/03/51/305070351.db2.gz JRZBGUYUUIZANQ-ZDUSSCGKSA-N 2 1 327.375 1.227 20 0 EDADMP C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430965386 305071398 /nfs/dbraw/zinc/07/13/98/305071398.db2.gz JAZPEQGSMQCIOU-KBPBESRZSA-N 2 1 339.867 1.846 20 0 EDADMP C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430965386 305071399 /nfs/dbraw/zinc/07/13/99/305071399.db2.gz JAZPEQGSMQCIOU-KBPBESRZSA-N 2 1 339.867 1.846 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000430966869 305071581 /nfs/dbraw/zinc/07/15/81/305071581.db2.gz QKXOJQNENLREKX-QZTJIDSGSA-N 2 1 344.503 1.321 20 0 EDADMP CC(C)(C[NH3+])C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000431002300 305072496 /nfs/dbraw/zinc/07/24/96/305072496.db2.gz BMGQTUPLMGXFSR-UHFFFAOYSA-N 2 1 338.883 1.563 20 0 EDADMP CCC[N@H+](CC(=O)NCc1cccc(COC)c1)C1CC[NH2+]CC1 ZINC000431073432 305074150 /nfs/dbraw/zinc/07/41/50/305074150.db2.gz XZWSHTXBDMQAIU-UHFFFAOYSA-N 2 1 333.476 1.913 20 0 EDADMP CCC[N@@H+](CC(=O)NCc1cccc(COC)c1)C1CC[NH2+]CC1 ZINC000431073432 305074151 /nfs/dbraw/zinc/07/41/51/305074151.db2.gz XZWSHTXBDMQAIU-UHFFFAOYSA-N 2 1 333.476 1.913 20 0 EDADMP CN(C)c1cc[nH+]cc1CNc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000433193028 305102833 /nfs/dbraw/zinc/10/28/33/305102833.db2.gz OAZGAQIANGUWRR-UHFFFAOYSA-N 2 1 339.443 1.603 20 0 EDADMP CN(C)c1cc[nH+]cc1CNc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000433193028 305102834 /nfs/dbraw/zinc/10/28/34/305102834.db2.gz OAZGAQIANGUWRR-UHFFFAOYSA-N 2 1 339.443 1.603 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433380170 305106885 /nfs/dbraw/zinc/10/68/85/305106885.db2.gz ZITPDQRLOYCDRY-ILXRZTDVSA-N 2 1 334.468 1.053 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C[C@H]1C ZINC000433402272 305108115 /nfs/dbraw/zinc/10/81/15/305108115.db2.gz WTZYNFIOBTVLGA-PMPSAXMXSA-N 2 1 333.480 1.752 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000434406687 305121989 /nfs/dbraw/zinc/12/19/89/305121989.db2.gz XSYRVEQUBADCMV-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000434406687 305121990 /nfs/dbraw/zinc/12/19/90/305121990.db2.gz XSYRVEQUBADCMV-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000436144768 305153066 /nfs/dbraw/zinc/15/30/66/305153066.db2.gz QWEQFKFOACBIOH-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC[NH+]1CCCOCC1 ZINC000436516473 305159334 /nfs/dbraw/zinc/15/93/34/305159334.db2.gz YWLJVFLPEKQHSG-MRXNPFEDSA-N 2 1 326.485 1.272 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000436516473 305159335 /nfs/dbraw/zinc/15/93/35/305159335.db2.gz YWLJVFLPEKQHSG-MRXNPFEDSA-N 2 1 326.485 1.272 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000436516473 305159336 /nfs/dbraw/zinc/15/93/36/305159336.db2.gz YWLJVFLPEKQHSG-MRXNPFEDSA-N 2 1 326.485 1.272 20 0 EDADMP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000449694969 305317210 /nfs/dbraw/zinc/31/72/10/305317210.db2.gz HUTOVKRKBJTLML-ZWKOTPCHSA-N 2 1 348.466 1.200 20 0 EDADMP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000449694969 305317211 /nfs/dbraw/zinc/31/72/11/305317211.db2.gz HUTOVKRKBJTLML-ZWKOTPCHSA-N 2 1 348.466 1.200 20 0 EDADMP C[C@H]1C[C@@H](O)C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000452064892 305381530 /nfs/dbraw/zinc/38/15/30/305381530.db2.gz GTPBABKKNZIHJD-QFBILLFUSA-N 2 1 345.487 1.601 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000459639312 305521729 /nfs/dbraw/zinc/52/17/29/305521729.db2.gz KFPJUPXABGURJY-IRXDYDNUSA-N 2 1 332.492 1.935 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000458410228 447351391 /nfs/dbraw/zinc/35/13/91/447351391.db2.gz FLFHUSHFNHVDGJ-IRXDYDNUSA-N 2 1 340.512 1.397 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458410228 447351394 /nfs/dbraw/zinc/35/13/94/447351394.db2.gz FLFHUSHFNHVDGJ-IRXDYDNUSA-N 2 1 340.512 1.397 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458410228 447351397 /nfs/dbraw/zinc/35/13/97/447351397.db2.gz FLFHUSHFNHVDGJ-IRXDYDNUSA-N 2 1 340.512 1.397 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC1CC[NH+](C)CC1 ZINC000527530610 305849007 /nfs/dbraw/zinc/84/90/07/305849007.db2.gz FVTDSESSWULIKA-UHFFFAOYSA-N 2 1 344.463 1.684 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000536538488 306021885 /nfs/dbraw/zinc/02/18/85/306021885.db2.gz XTRZEXBYILLRNO-LJQANCHMSA-N 2 1 342.487 1.653 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@@H]1CC[N@@H+](C3CC3)C1)n2C ZINC000538684498 306032084 /nfs/dbraw/zinc/03/20/84/306032084.db2.gz JSMCGDUNYJNPDI-LBPRGKRZSA-N 2 1 342.447 1.248 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@@H]1CC[N@H+](C3CC3)C1)n2C ZINC000538684498 306032085 /nfs/dbraw/zinc/03/20/85/306032085.db2.gz JSMCGDUNYJNPDI-LBPRGKRZSA-N 2 1 342.447 1.248 20 0 EDADMP C[N@@H+](CCC(=O)NCCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000545309349 306083987 /nfs/dbraw/zinc/08/39/87/306083987.db2.gz YAJIKCBNIXZMOD-UHFFFAOYSA-N 2 1 325.497 1.870 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000547296876 306097736 /nfs/dbraw/zinc/09/77/36/306097736.db2.gz BWCIDORHDKDMSK-PKOBYXMFSA-N 2 1 346.475 1.189 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000556749385 306215466 /nfs/dbraw/zinc/21/54/66/306215466.db2.gz PMYRXJZPWAEZIT-QGZVFWFLSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000414949225 447370312 /nfs/dbraw/zinc/37/03/12/447370312.db2.gz ZEVCAOFBQOGFLU-CJNGLKHVSA-N 2 1 332.448 1.189 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422170581 447385751 /nfs/dbraw/zinc/38/57/51/447385751.db2.gz FJUHTYXFVOXNQA-QGZVFWFLSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@]1(CNc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000415112703 447390087 /nfs/dbraw/zinc/39/00/87/447390087.db2.gz DFEOFYIRYZMYFE-LPHOPBHVSA-N 2 1 330.476 1.795 20 0 EDADMP CN(C)c1[nH+]cc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)n1C ZINC000419746552 447390748 /nfs/dbraw/zinc/39/07/48/447390748.db2.gz LXTKNOCHMHLLJP-KRWDZBQOSA-N 2 1 329.448 1.665 20 0 EDADMP CN(C)c1[nH+]cc(CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)n1C ZINC000419746552 447390758 /nfs/dbraw/zinc/39/07/58/447390758.db2.gz LXTKNOCHMHLLJP-KRWDZBQOSA-N 2 1 329.448 1.665 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000458501821 447390864 /nfs/dbraw/zinc/39/08/64/447390864.db2.gz JIXWHZNKGBRXHL-ZBFHGGJFSA-N 2 1 328.526 1.548 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CCSC1 ZINC000458526775 447400086 /nfs/dbraw/zinc/40/00/86/447400086.db2.gz WMTBGPJENBCYGL-SJORKVTESA-N 2 1 340.537 1.551 20 0 EDADMP CC[N@@H+](CCNC(=O)N(C)C[C@H]1CCC[NH+]1C)CCC(F)(F)F ZINC000422210056 447405147 /nfs/dbraw/zinc/40/51/47/447405147.db2.gz SSFVLYSNXODVHL-CYBMUJFWSA-N 2 1 338.418 1.996 20 0 EDADMP CC[NH+](CCNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)CCC(F)(F)F ZINC000422210056 447405151 /nfs/dbraw/zinc/40/51/51/447405151.db2.gz SSFVLYSNXODVHL-CYBMUJFWSA-N 2 1 338.418 1.996 20 0 EDADMP CC[NH+](CCNC(=O)N(C)C[C@H]1CCC[N@H+]1C)CCC(F)(F)F ZINC000422210056 447405156 /nfs/dbraw/zinc/40/51/56/447405156.db2.gz SSFVLYSNXODVHL-CYBMUJFWSA-N 2 1 338.418 1.996 20 0 EDADMP COCC(C)(C)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000426394711 447433449 /nfs/dbraw/zinc/43/34/49/447433449.db2.gz KOPBNAQBCKCTSE-QGZVFWFLSA-N 2 1 327.513 1.386 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000057844047 441138149 /nfs/dbraw/zinc/13/81/49/441138149.db2.gz CRKRZQNTHZIXQV-UHFFFAOYSA-N 2 1 332.448 1.415 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000105104301 441234037 /nfs/dbraw/zinc/23/40/37/441234037.db2.gz NDPLBSPDUNHUHA-DLBZAZTESA-N 2 1 340.512 1.469 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000081305838 441252728 /nfs/dbraw/zinc/25/27/28/441252728.db2.gz BSTZQJKCRWKVTI-KRWDZBQOSA-N 2 1 349.500 1.547 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000081305838 441252730 /nfs/dbraw/zinc/25/27/30/441252730.db2.gz BSTZQJKCRWKVTI-KRWDZBQOSA-N 2 1 349.500 1.547 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000081485486 441277058 /nfs/dbraw/zinc/27/70/58/441277058.db2.gz DFTXVAQSRSRYOJ-RBUKOAKNSA-N 2 1 345.487 1.688 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000081485486 441277061 /nfs/dbraw/zinc/27/70/61/441277061.db2.gz DFTXVAQSRSRYOJ-RBUKOAKNSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000081485486 441277066 /nfs/dbraw/zinc/27/70/66/441277066.db2.gz DFTXVAQSRSRYOJ-RBUKOAKNSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000081485486 441277070 /nfs/dbraw/zinc/27/70/70/441277070.db2.gz DFTXVAQSRSRYOJ-RBUKOAKNSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+]1CCN(CC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000073726284 441347513 /nfs/dbraw/zinc/34/75/13/441347513.db2.gz PZMGSANDBCPWDF-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000109172774 441490740 /nfs/dbraw/zinc/49/07/40/441490740.db2.gz UNRKEBDCPYLIFX-HOTGVXAUSA-N 2 1 328.501 1.109 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000108462028 441454576 /nfs/dbraw/zinc/45/45/76/441454576.db2.gz PURLNUVJIIXGNJ-PKOBYXMFSA-N 2 1 344.503 1.433 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000108462028 441454579 /nfs/dbraw/zinc/45/45/79/441454579.db2.gz PURLNUVJIIXGNJ-PKOBYXMFSA-N 2 1 344.503 1.433 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000108547546 441463546 /nfs/dbraw/zinc/46/35/46/441463546.db2.gz MKOMCPJJSFALMG-IRXDYDNUSA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000108547546 441463551 /nfs/dbraw/zinc/46/35/51/441463551.db2.gz MKOMCPJJSFALMG-IRXDYDNUSA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000066175455 441508533 /nfs/dbraw/zinc/50/85/33/441508533.db2.gz FKQHPAYZHUYWCY-DLBZAZTESA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000089962763 441607102 /nfs/dbraw/zinc/60/71/02/441607102.db2.gz UQGQNNSGGDTWDG-GBESFXJTSA-N 2 1 345.487 1.612 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089962763 441607105 /nfs/dbraw/zinc/60/71/05/441607105.db2.gz UQGQNNSGGDTWDG-GBESFXJTSA-N 2 1 345.487 1.612 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089962763 441607109 /nfs/dbraw/zinc/60/71/09/441607109.db2.gz UQGQNNSGGDTWDG-GBESFXJTSA-N 2 1 345.487 1.612 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000113604593 441617974 /nfs/dbraw/zinc/61/79/74/441617974.db2.gz ATMOXBXXCSESGI-QGZVFWFLSA-N 2 1 340.512 1.661 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C(=O)NC)c3)C2)CC1 ZINC000113997730 441630834 /nfs/dbraw/zinc/63/08/34/441630834.db2.gz RJIQGKGBNGBZPD-GOSISDBHSA-N 2 1 330.476 1.258 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114023001 441630901 /nfs/dbraw/zinc/63/09/01/441630901.db2.gz SGTFYXCUZVGQNF-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)CC1 ZINC000090657528 441640706 /nfs/dbraw/zinc/64/07/06/441640706.db2.gz XRXQENINBLTQNT-SJORKVTESA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)CC1 ZINC000090657528 441640711 /nfs/dbraw/zinc/64/07/11/441640711.db2.gz XRXQENINBLTQNT-SJORKVTESA-N 2 1 338.496 1.223 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114453725 441657543 /nfs/dbraw/zinc/65/75/43/441657543.db2.gz ZRUZIWIPWOLKMH-HNNXBMFYSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114453725 441657546 /nfs/dbraw/zinc/65/75/46/441657546.db2.gz ZRUZIWIPWOLKMH-HNNXBMFYSA-N 2 1 339.480 1.251 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000136510894 441702901 /nfs/dbraw/zinc/70/29/01/441702901.db2.gz OPKBMFDEBVPPFV-INIZCTEOSA-N 2 1 340.512 1.022 20 0 EDADMP C[NH+](C)C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000173408050 441737234 /nfs/dbraw/zinc/73/72/34/441737234.db2.gz DQTZMMAPRSYNMZ-IRXDYDNUSA-N 2 1 338.496 1.223 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173410133 441740028 /nfs/dbraw/zinc/74/00/28/441740028.db2.gz FBKOXPGFIFVWSJ-ROUUACIJSA-N 2 1 332.492 1.907 20 0 EDADMP COC(=O)CNC(=O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159031930 441782281 /nfs/dbraw/zinc/78/22/81/441782281.db2.gz KJQPBFKHPDFCOH-HNNXBMFYSA-N 2 1 339.480 1.252 20 0 EDADMP COC(=O)CNC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159031930 441782286 /nfs/dbraw/zinc/78/22/86/441782286.db2.gz KJQPBFKHPDFCOH-HNNXBMFYSA-N 2 1 339.480 1.252 20 0 EDADMP COC(=O)CNC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159031930 441782290 /nfs/dbraw/zinc/78/22/90/441782290.db2.gz KJQPBFKHPDFCOH-HNNXBMFYSA-N 2 1 339.480 1.252 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000159133997 441790300 /nfs/dbraw/zinc/79/03/00/441790300.db2.gz XDPSSWNFNLZFND-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000159133997 441790306 /nfs/dbraw/zinc/79/03/06/441790306.db2.gz XDPSSWNFNLZFND-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP Cc1nc2ccccc2n1CCCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000122089467 441834592 /nfs/dbraw/zinc/83/45/92/441834592.db2.gz NTKIZOPTLBOPGQ-HNNXBMFYSA-N 2 1 343.475 1.487 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174220595 441904878 /nfs/dbraw/zinc/90/48/78/441904878.db2.gz DLFCVZBEJVEBBF-DOTOQJQBSA-N 2 1 333.480 1.955 20 0 EDADMP CCNC(=O)c1cccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123312176 441883725 /nfs/dbraw/zinc/88/37/25/441883725.db2.gz WVSXHUJQBYIJSB-RHSMWYFYSA-N 2 1 346.475 1.789 20 0 EDADMP CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000093871816 441898430 /nfs/dbraw/zinc/89/84/30/441898430.db2.gz ZTZNNTMPXMXVBU-VQIMIIECSA-N 2 1 347.507 1.864 20 0 EDADMP CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000093871816 441898434 /nfs/dbraw/zinc/89/84/34/441898434.db2.gz ZTZNNTMPXMXVBU-VQIMIIECSA-N 2 1 347.507 1.864 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000162474270 442096248 /nfs/dbraw/zinc/09/62/48/442096248.db2.gz IBBCTULQGRNQQG-IIAWOOMASA-N 2 1 325.478 1.283 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000079460624 442050259 /nfs/dbraw/zinc/05/02/59/442050259.db2.gz YYZHSQGXAGGCTE-OAHLLOKOSA-N 2 1 329.448 1.398 20 0 EDADMP CC[N@@H+](C)CCNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069818993 442050769 /nfs/dbraw/zinc/05/07/69/442050769.db2.gz IYYBAFGOPDMZFF-GOSISDBHSA-N 2 1 347.507 1.226 20 0 EDADMP Cc1cccc(NC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000120720701 442122810 /nfs/dbraw/zinc/12/28/10/442122810.db2.gz ISQWQYBQSSWZGC-UHFFFAOYSA-N 2 1 331.460 1.978 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000176058132 442168519 /nfs/dbraw/zinc/16/85/19/442168519.db2.gz VQXLLLLRFAPWGF-UHFFFAOYSA-N 2 1 346.475 1.548 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CC3=CCCOC3)c2)C1 ZINC000127159723 442175824 /nfs/dbraw/zinc/17/58/24/442175824.db2.gz NJYLFBKUNSJQAE-IBGZPJMESA-N 2 1 343.471 1.820 20 0 EDADMP C[N@@H+](CCCOC(=O)NC(N)=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121164539 442185830 /nfs/dbraw/zinc/18/58/30/442185830.db2.gz LVXMWUAGJHWPNZ-INIZCTEOSA-N 2 1 348.447 1.635 20 0 EDADMP C[NH+](CCCOC(=O)NC(N)=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121164539 442185833 /nfs/dbraw/zinc/18/58/33/442185833.db2.gz LVXMWUAGJHWPNZ-INIZCTEOSA-N 2 1 348.447 1.635 20 0 EDADMP C[NH+](CCCOC(=O)NC(N)=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121164539 442185834 /nfs/dbraw/zinc/18/58/34/442185834.db2.gz LVXMWUAGJHWPNZ-INIZCTEOSA-N 2 1 348.447 1.635 20 0 EDADMP CN(CC[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000176198150 442189954 /nfs/dbraw/zinc/18/99/54/442189954.db2.gz NGGPCZPBGAQJEW-UHFFFAOYSA-N 2 1 347.507 1.137 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000176023856 442162700 /nfs/dbraw/zinc/16/27/00/442162700.db2.gz AOJRENWNFDJHPO-MLHJIOFPSA-N 2 1 339.524 1.874 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000176339154 442211541 /nfs/dbraw/zinc/21/15/41/442211541.db2.gz NKCFPOXEAJJJCL-ZACQAIPSSA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000176343997 442212559 /nfs/dbraw/zinc/21/25/59/442212559.db2.gz BBDMLQSBYAMMGQ-INIZCTEOSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[N@H+](C)CC[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000165983531 442212645 /nfs/dbraw/zinc/21/26/45/442212645.db2.gz KQIZVKLIJQDKNW-GOSISDBHSA-N 2 1 348.491 1.829 20 0 EDADMP COCC[N@@H+](C)CC[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000165983531 442212647 /nfs/dbraw/zinc/21/26/47/442212647.db2.gz KQIZVKLIJQDKNW-GOSISDBHSA-N 2 1 348.491 1.829 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N(C)CC[NH+](C)C ZINC000176399690 442218373 /nfs/dbraw/zinc/21/83/73/442218373.db2.gz PNBOVKJOSOCLAQ-KRWDZBQOSA-N 2 1 347.507 1.400 20 0 EDADMP CC[C@H]1CN(C(=O)c2cccn2C2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000168065665 442222992 /nfs/dbraw/zinc/22/29/92/442222992.db2.gz HWMZMUYEAYAKDR-INIZCTEOSA-N 2 1 348.491 1.595 20 0 EDADMP CC[C@H]1CN(C(=O)c2cccn2C2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000168065665 442222994 /nfs/dbraw/zinc/22/29/94/442222994.db2.gz HWMZMUYEAYAKDR-INIZCTEOSA-N 2 1 348.491 1.595 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc1)C(C)C ZINC000152665392 442235552 /nfs/dbraw/zinc/23/55/52/442235552.db2.gz OAKRJYYZLOSLQZ-IBGZPJMESA-N 2 1 335.492 1.959 20 0 EDADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)NC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC000177127321 442301644 /nfs/dbraw/zinc/30/16/44/442301644.db2.gz WVISTQTYPLKXRG-MNOVXSKESA-N 2 1 338.374 1.179 20 0 EDADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)NC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC000177127321 442301646 /nfs/dbraw/zinc/30/16/46/442301646.db2.gz WVISTQTYPLKXRG-MNOVXSKESA-N 2 1 338.374 1.179 20 0 EDADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F)CC[NH+]1C ZINC000177127321 442301649 /nfs/dbraw/zinc/30/16/49/442301649.db2.gz WVISTQTYPLKXRG-MNOVXSKESA-N 2 1 338.374 1.179 20 0 EDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)NC(=O)NCC(F)(F)F)CC[NH+]1C ZINC000177127321 442301652 /nfs/dbraw/zinc/30/16/52/442301652.db2.gz WVISTQTYPLKXRG-MNOVXSKESA-N 2 1 338.374 1.179 20 0 EDADMP CC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000130541548 442349215 /nfs/dbraw/zinc/34/92/15/442349215.db2.gz UYGDQDHMDFXLTE-JKSUJKDBSA-N 2 1 332.448 1.529 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000154967567 442367414 /nfs/dbraw/zinc/36/74/14/442367414.db2.gz BSXMUKGVARRGCR-KRWDZBQOSA-N 2 1 340.512 1.349 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000154967567 442367416 /nfs/dbraw/zinc/36/74/16/442367416.db2.gz BSXMUKGVARRGCR-KRWDZBQOSA-N 2 1 340.512 1.349 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000154967567 442367418 /nfs/dbraw/zinc/36/74/18/442367418.db2.gz BSXMUKGVARRGCR-KRWDZBQOSA-N 2 1 340.512 1.349 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000154852100 442360823 /nfs/dbraw/zinc/36/08/23/442360823.db2.gz NMTDJWIXQYCRMP-ICSRJNTNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000154852100 442360826 /nfs/dbraw/zinc/36/08/26/442360826.db2.gz NMTDJWIXQYCRMP-ICSRJNTNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000154852100 442360828 /nfs/dbraw/zinc/36/08/28/442360828.db2.gz NMTDJWIXQYCRMP-ICSRJNTNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000154852100 442360830 /nfs/dbraw/zinc/36/08/30/442360830.db2.gz NMTDJWIXQYCRMP-ICSRJNTNSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000178522719 442441282 /nfs/dbraw/zinc/44/12/82/442441282.db2.gz NMGWBQNRDKDJHD-XLIONFOSSA-N 3 1 346.519 1.728 20 0 EDADMP COC1(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000178831742 442497111 /nfs/dbraw/zinc/49/71/11/442497111.db2.gz XXEGTPUXQSYWQA-WBVHZDCISA-N 2 1 331.460 1.534 20 0 EDADMP C[N@@H+](CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[C@@H]1CCSC1 ZINC000156449458 442481424 /nfs/dbraw/zinc/48/14/24/442481424.db2.gz JHSAWAQWHZGMFM-HZPDHXFCSA-N 2 1 325.522 1.758 20 0 EDADMP C[NH+](C)C1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000172797709 442544488 /nfs/dbraw/zinc/54/44/88/442544488.db2.gz NXXXSZPPGCUCFK-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+](C)C1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000172797709 442544492 /nfs/dbraw/zinc/54/44/92/442544492.db2.gz NXXXSZPPGCUCFK-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)N1CCN(C)CC1 ZINC000180191598 442556164 /nfs/dbraw/zinc/55/61/64/442556164.db2.gz CMFXZCUYQSTGKW-CGTJXYLNSA-N 2 1 330.476 1.184 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000180191598 442556171 /nfs/dbraw/zinc/55/61/71/442556171.db2.gz CMFXZCUYQSTGKW-CGTJXYLNSA-N 2 1 330.476 1.184 20 0 EDADMP C[C@H]1CCC[N@H+]1C1CCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000134733810 442517315 /nfs/dbraw/zinc/51/73/15/442517315.db2.gz KZOJEXDBIRJWIN-HOTGVXAUSA-N 2 1 343.537 1.607 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000172710373 442525232 /nfs/dbraw/zinc/52/52/32/442525232.db2.gz QUDDWXVZMKDISJ-QAPCUYQASA-N 2 1 331.460 1.270 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000172710373 442525237 /nfs/dbraw/zinc/52/52/37/442525237.db2.gz QUDDWXVZMKDISJ-QAPCUYQASA-N 2 1 331.460 1.270 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000172710373 442525239 /nfs/dbraw/zinc/52/52/39/442525239.db2.gz QUDDWXVZMKDISJ-QAPCUYQASA-N 2 1 331.460 1.270 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000172710373 442525242 /nfs/dbraw/zinc/52/52/42/442525242.db2.gz QUDDWXVZMKDISJ-QAPCUYQASA-N 2 1 331.460 1.270 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000172722908 442525705 /nfs/dbraw/zinc/52/57/05/442525705.db2.gz AHTORSAZDUQLCY-HOCLYGCPSA-N 2 1 337.489 1.407 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000172722908 442525708 /nfs/dbraw/zinc/52/57/08/442525708.db2.gz AHTORSAZDUQLCY-HOCLYGCPSA-N 2 1 337.489 1.407 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000172722908 442525713 /nfs/dbraw/zinc/52/57/13/442525713.db2.gz AHTORSAZDUQLCY-HOCLYGCPSA-N 2 1 337.489 1.407 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000172722908 442525717 /nfs/dbraw/zinc/52/57/17/442525717.db2.gz AHTORSAZDUQLCY-HOCLYGCPSA-N 2 1 337.489 1.407 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000180735102 442653631 /nfs/dbraw/zinc/65/36/31/442653631.db2.gz CYSQMSAEVPTYQQ-AEFFLSMTSA-N 2 1 347.507 1.481 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000180735102 442653634 /nfs/dbraw/zinc/65/36/34/442653634.db2.gz CYSQMSAEVPTYQQ-AEFFLSMTSA-N 2 1 347.507 1.481 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000180735102 442653637 /nfs/dbraw/zinc/65/36/37/442653637.db2.gz CYSQMSAEVPTYQQ-AEFFLSMTSA-N 2 1 347.507 1.481 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000180735102 442653639 /nfs/dbraw/zinc/65/36/39/442653639.db2.gz CYSQMSAEVPTYQQ-AEFFLSMTSA-N 2 1 347.507 1.481 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000187149963 442657381 /nfs/dbraw/zinc/65/73/81/442657381.db2.gz KMWOPPMZUTXJFY-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000187149963 442657388 /nfs/dbraw/zinc/65/73/88/442657388.db2.gz KMWOPPMZUTXJFY-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000187149963 442657393 /nfs/dbraw/zinc/65/73/93/442657393.db2.gz KMWOPPMZUTXJFY-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP CCOCCO[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000157889674 442624161 /nfs/dbraw/zinc/62/41/61/442624161.db2.gz MJFFMWUNJFOCJX-KRWDZBQOSA-N 2 1 341.496 1.103 20 0 EDADMP CCOCCO[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000157889674 442624162 /nfs/dbraw/zinc/62/41/62/442624162.db2.gz MJFFMWUNJFOCJX-KRWDZBQOSA-N 2 1 341.496 1.103 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000180983638 442673047 /nfs/dbraw/zinc/67/30/47/442673047.db2.gz IJPBKPCBXVPMQL-FUHWJXTLSA-N 2 1 325.497 1.772 20 0 EDADMP CCn1ccnc1CN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188294815 442734663 /nfs/dbraw/zinc/73/46/63/442734663.db2.gz VZTHKSCAVMJHHN-IBGZPJMESA-N 2 1 328.460 1.972 20 0 EDADMP CC(C)OC(=O)CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188314978 442738287 /nfs/dbraw/zinc/73/82/87/442738287.db2.gz UQAIAZBHSSAEPK-LJQANCHMSA-N 2 1 334.460 1.897 20 0 EDADMP CC(C)OC(=O)CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188314978 442738289 /nfs/dbraw/zinc/73/82/89/442738289.db2.gz UQAIAZBHSSAEPK-LJQANCHMSA-N 2 1 334.460 1.897 20 0 EDADMP CC(C)OC(=O)CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188314978 442738291 /nfs/dbraw/zinc/73/82/91/442738291.db2.gz UQAIAZBHSSAEPK-LJQANCHMSA-N 2 1 334.460 1.897 20 0 EDADMP CC(C)OC(=O)CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188314978 442738293 /nfs/dbraw/zinc/73/82/93/442738293.db2.gz UQAIAZBHSSAEPK-LJQANCHMSA-N 2 1 334.460 1.897 20 0 EDADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCOCC1 ZINC000188445788 442750846 /nfs/dbraw/zinc/75/08/46/442750846.db2.gz VMOKVEKILCFDHD-PMACEKPBSA-N 2 1 348.487 1.784 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1(C)C ZINC000188133686 442714817 /nfs/dbraw/zinc/71/48/17/442714817.db2.gz MDXAETDLYGOOCG-DAYGRLMNSA-N 2 1 325.497 1.756 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000246561942 442792744 /nfs/dbraw/zinc/79/27/44/442792744.db2.gz ZCJYHTLEJAYJNG-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)CCCOC)[C@@H](C)C1 ZINC000246464634 442783062 /nfs/dbraw/zinc/78/30/62/442783062.db2.gz PODCVGNMBZEXGP-HOTGVXAUSA-N 2 1 328.501 1.326 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+](C)CCCOC)[C@@H](C)C1 ZINC000246464634 442783065 /nfs/dbraw/zinc/78/30/65/442783065.db2.gz PODCVGNMBZEXGP-HOTGVXAUSA-N 2 1 328.501 1.326 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+](C)CCCOC)[C@@H](C)C1 ZINC000246464634 442783069 /nfs/dbraw/zinc/78/30/69/442783069.db2.gz PODCVGNMBZEXGP-HOTGVXAUSA-N 2 1 328.501 1.326 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188763694 442807591 /nfs/dbraw/zinc/80/75/91/442807591.db2.gz DGQYQSLYEOFBDH-LBPRGKRZSA-N 2 1 328.420 1.292 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(N3CCOCC3)CCSC2)[C@H](C)C1 ZINC000246944220 442823981 /nfs/dbraw/zinc/82/39/81/442823981.db2.gz HTXNITWKJOJWGA-IKGGRYGDSA-N 2 1 327.538 1.514 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000171766726 318435968 /nfs/dbraw/zinc/43/59/68/318435968.db2.gz RFEORSVXQUOXOP-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CCc2sccc2C1 ZINC000268116729 442853788 /nfs/dbraw/zinc/85/37/88/442853788.db2.gz KBOJOPNNZRBMAF-CJNGLKHVSA-N 2 1 348.516 1.888 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CCc2sccc2C1 ZINC000268116729 442853790 /nfs/dbraw/zinc/85/37/90/442853790.db2.gz KBOJOPNNZRBMAF-CJNGLKHVSA-N 2 1 348.516 1.888 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000268116729 442853794 /nfs/dbraw/zinc/85/37/94/442853794.db2.gz KBOJOPNNZRBMAF-CJNGLKHVSA-N 2 1 348.516 1.888 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000268116729 442853798 /nfs/dbraw/zinc/85/37/98/442853798.db2.gz KBOJOPNNZRBMAF-CJNGLKHVSA-N 2 1 348.516 1.888 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000189312812 442918473 /nfs/dbraw/zinc/91/84/73/442918473.db2.gz KSGHEWWGADYKGY-JONQDZQNSA-N 2 1 337.851 1.578 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000189312812 442918474 /nfs/dbraw/zinc/91/84/74/442918474.db2.gz KSGHEWWGADYKGY-JONQDZQNSA-N 2 1 337.851 1.578 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(O)ccc1OC ZINC000189364078 442929171 /nfs/dbraw/zinc/92/91/71/442929171.db2.gz IFZSLZHQFUIORD-HNNXBMFYSA-N 2 1 349.475 1.889 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[NH+](C3CC3)CC2)C1 ZINC000194654041 442932245 /nfs/dbraw/zinc/93/22/45/442932245.db2.gz LQZCQRYZHDFXGU-QGZVFWFLSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000194654041 442932249 /nfs/dbraw/zinc/93/22/49/442932249.db2.gz LQZCQRYZHDFXGU-QGZVFWFLSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CCC[N@H+](C3CC3)CC2)C1 ZINC000194654041 442932252 /nfs/dbraw/zinc/93/22/52/442932252.db2.gz LQZCQRYZHDFXGU-QGZVFWFLSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248979584 442941722 /nfs/dbraw/zinc/94/17/22/442941722.db2.gz FIPANSFANHATKQ-QKPAOTATSA-N 2 1 333.476 1.895 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248979584 442941727 /nfs/dbraw/zinc/94/17/27/442941727.db2.gz FIPANSFANHATKQ-QKPAOTATSA-N 2 1 333.476 1.895 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCS[C@@H]3COCC[C@H]32)CC1 ZINC000249088104 442950967 /nfs/dbraw/zinc/95/09/67/442950967.db2.gz UEBFXSWMMUSVLY-IAGOWNOFSA-N 2 1 327.538 1.609 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000184693359 443060456 /nfs/dbraw/zinc/06/04/56/443060456.db2.gz WIROKPWTDNGQHR-GOSISDBHSA-N 2 1 332.492 1.432 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000184741293 443070425 /nfs/dbraw/zinc/07/04/25/443070425.db2.gz OKJZFTRTUTYBOX-SFHVURJKSA-N 2 1 348.491 1.346 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CCc3ccc(F)c(F)c3)cn2)CC1 ZINC000190285071 443081070 /nfs/dbraw/zinc/08/10/70/443081070.db2.gz JCDOZVFMCYXGLY-UHFFFAOYSA-N 2 1 347.413 1.839 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000262213971 443186388 /nfs/dbraw/zinc/18/63/88/443186388.db2.gz IYRHQKLXEQLPRM-FCEWJHQRSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000262213971 443186391 /nfs/dbraw/zinc/18/63/91/443186391.db2.gz IYRHQKLXEQLPRM-FCEWJHQRSA-N 2 1 345.487 1.912 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245381084 443220924 /nfs/dbraw/zinc/22/09/24/443220924.db2.gz AGSDRQJPLZCOTB-XDNAFOTISA-N 2 1 337.508 1.817 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245381084 443220926 /nfs/dbraw/zinc/22/09/26/443220926.db2.gz AGSDRQJPLZCOTB-XDNAFOTISA-N 2 1 337.508 1.817 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000245390088 443221431 /nfs/dbraw/zinc/22/14/31/443221431.db2.gz KRQJCIGPNHGGLZ-HOTGVXAUSA-N 2 1 340.512 1.517 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000245420928 443226050 /nfs/dbraw/zinc/22/60/50/443226050.db2.gz HRZHMMBJRYRNJI-BBWFWOEESA-N 2 1 325.497 1.553 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC[N@H+]1C[C@H](C)O ZINC000245420928 443226054 /nfs/dbraw/zinc/22/60/54/443226054.db2.gz HRZHMMBJRYRNJI-BBWFWOEESA-N 2 1 325.497 1.553 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1C[C@H](C)O ZINC000245420928 443226056 /nfs/dbraw/zinc/22/60/56/443226056.db2.gz HRZHMMBJRYRNJI-BBWFWOEESA-N 2 1 325.497 1.553 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC[NH+]1C[C@H](C)O ZINC000245420928 443226058 /nfs/dbraw/zinc/22/60/58/443226058.db2.gz HRZHMMBJRYRNJI-BBWFWOEESA-N 2 1 325.497 1.553 20 0 EDADMP CC(C)(C)[C@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000262639340 443205168 /nfs/dbraw/zinc/20/51/68/443205168.db2.gz IROSONIYBBKRLG-HUUCEWRRSA-N 2 1 332.448 1.448 20 0 EDADMP CC(C)(C)[C@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000262639340 443205173 /nfs/dbraw/zinc/20/51/73/443205173.db2.gz IROSONIYBBKRLG-HUUCEWRRSA-N 2 1 332.448 1.448 20 0 EDADMP CN(CC[NH+](C)C1CC1)c1cc(N(C)CC[N@@H+](C)C2CC2)ncn1 ZINC000185737177 443248150 /nfs/dbraw/zinc/24/81/50/443248150.db2.gz RLWMRNWMADARIY-UHFFFAOYSA-N 2 1 332.496 1.537 20 0 EDADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1OCC ZINC000412678936 319239013 /nfs/dbraw/zinc/23/90/13/319239013.db2.gz VYEAPASXJZUJSY-RTBURBONSA-N 2 1 347.503 1.982 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC ZINC000412678936 319239016 /nfs/dbraw/zinc/23/90/16/319239016.db2.gz VYEAPASXJZUJSY-RTBURBONSA-N 2 1 347.503 1.982 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC ZINC000412678936 319239019 /nfs/dbraw/zinc/23/90/19/319239019.db2.gz VYEAPASXJZUJSY-RTBURBONSA-N 2 1 347.503 1.982 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000413076528 319263183 /nfs/dbraw/zinc/26/31/83/319263183.db2.gz QXGBVLONCDJDRV-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000413076528 319263184 /nfs/dbraw/zinc/26/31/84/319263184.db2.gz QXGBVLONCDJDRV-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000414201873 319318787 /nfs/dbraw/zinc/31/87/87/319318787.db2.gz YIBAZZPCTRORMV-UONOGXRCSA-N 2 1 325.478 1.717 20 0 EDADMP COC(=O)[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000415010983 319345401 /nfs/dbraw/zinc/34/54/01/319345401.db2.gz VKZFRROSIGHZHB-GXTWGEPZSA-N 2 1 342.386 1.961 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415970618 319386123 /nfs/dbraw/zinc/38/61/23/319386123.db2.gz FHDVRAKABJVVDO-OAHLLOKOSA-N 2 1 333.480 1.540 20 0 EDADMP CCC(CC)[C@H](CNC(=O)Nc1ncccc1C[NH3+])[NH+]1CCOCC1 ZINC000415999964 319388719 /nfs/dbraw/zinc/38/87/19/319388719.db2.gz WJKNQHJXFUPZAV-INIZCTEOSA-N 2 1 349.479 1.799 20 0 EDADMP [NH3+]CC[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(F)(F)F ZINC000416002575 319389353 /nfs/dbraw/zinc/38/93/53/319389353.db2.gz FDWGNGQERLVPJA-UBHSHLNASA-N 2 1 348.413 1.924 20 0 EDADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416155141 319393087 /nfs/dbraw/zinc/39/30/87/319393087.db2.gz CLERYHCICMIFFS-WMZOPIPTSA-N 2 1 333.476 1.906 20 0 EDADMP CC[N@@H+](CC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)C1CC1 ZINC000246241059 443282608 /nfs/dbraw/zinc/28/26/08/443282608.db2.gz HUUGKYJNDLRZAG-IAGOWNOFSA-N 2 1 336.524 1.488 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000246067669 443264871 /nfs/dbraw/zinc/26/48/71/443264871.db2.gz ZSCGFMJVBVECGN-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000246067669 443264874 /nfs/dbraw/zinc/26/48/74/443264874.db2.gz ZSCGFMJVBVECGN-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000246067669 443264876 /nfs/dbraw/zinc/26/48/76/443264876.db2.gz ZSCGFMJVBVECGN-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000185835465 443266501 /nfs/dbraw/zinc/26/65/01/443266501.db2.gz PBGQIIBMLQJIAA-CVEARBPZSA-N 2 1 341.544 1.288 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccco1 ZINC000416809101 319462387 /nfs/dbraw/zinc/46/23/87/319462387.db2.gz JBHOHTROLDZYRD-BBWFWOEESA-N 2 1 342.443 1.937 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000416886235 319468999 /nfs/dbraw/zinc/46/89/99/319468999.db2.gz QTCKJASPPHMXON-SFHVURJKSA-N 2 1 346.475 1.412 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H](CC[NH3+])C(F)F)C[C@@H](C)O1 ZINC000416930251 319477182 /nfs/dbraw/zinc/47/71/82/319477182.db2.gz KHPPMBRZHVWGJK-IJLUTSLNSA-N 2 1 336.427 1.156 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416933895 319478142 /nfs/dbraw/zinc/47/81/42/319478142.db2.gz CAXVDTAMMNJJJP-PMPSAXMXSA-N 2 1 326.485 1.160 20 0 EDADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000418452813 319501980 /nfs/dbraw/zinc/50/19/80/319501980.db2.gz OKYFJKUTJWRGES-JWTNVVGKSA-N 2 1 328.460 1.797 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+](CCOC)CC1)c1ccccc1 ZINC000264592797 443339266 /nfs/dbraw/zinc/33/92/66/443339266.db2.gz RJCIBEIDRCJPMS-SFHVURJKSA-N 2 1 333.476 1.860 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+](CCOC)CC1)c1ccccc1 ZINC000264592797 443339271 /nfs/dbraw/zinc/33/92/71/443339271.db2.gz RJCIBEIDRCJPMS-SFHVURJKSA-N 2 1 333.476 1.860 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+](CCOC)CC1)c1ccccc1 ZINC000264592797 443339274 /nfs/dbraw/zinc/33/92/74/443339274.db2.gz RJCIBEIDRCJPMS-SFHVURJKSA-N 2 1 333.476 1.860 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+](CCOC)CC1)c1ccccc1 ZINC000264592797 443339281 /nfs/dbraw/zinc/33/92/81/443339281.db2.gz RJCIBEIDRCJPMS-SFHVURJKSA-N 2 1 333.476 1.860 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267137848 443353928 /nfs/dbraw/zinc/35/39/28/443353928.db2.gz DSTZCFCFBKEJMV-CJNGLKHVSA-N 2 1 339.509 1.564 20 0 EDADMP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000264653120 443362813 /nfs/dbraw/zinc/36/28/13/443362813.db2.gz GXUUWUNEDCDABR-QGZVFWFLSA-N 2 1 344.503 1.899 20 0 EDADMP C[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264679817 443371684 /nfs/dbraw/zinc/37/16/84/443371684.db2.gz OCRJUVVQJYUXNV-WMZOPIPTSA-N 2 1 330.476 1.043 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264679817 443371685 /nfs/dbraw/zinc/37/16/85/443371685.db2.gz OCRJUVVQJYUXNV-WMZOPIPTSA-N 2 1 330.476 1.043 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000264815251 443438429 /nfs/dbraw/zinc/43/84/29/443438429.db2.gz YYGZTDKCFQYXBU-LJQANCHMSA-N 2 1 344.503 1.648 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1N1CCOCC1 ZINC000272653917 443398069 /nfs/dbraw/zinc/39/80/69/443398069.db2.gz NKKYMVVEHUCAAW-UHFFFAOYSA-N 2 1 346.519 1.593 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000269689787 443398004 /nfs/dbraw/zinc/39/80/04/443398004.db2.gz NTBQUTDBUGQKGQ-CKEIUWERSA-N 2 1 329.444 1.991 20 0 EDADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(S(N)(=O)=O)c1 ZINC000272894913 443482457 /nfs/dbraw/zinc/48/24/57/443482457.db2.gz YMLMESRMTMCJOS-INIZCTEOSA-N 2 1 336.461 1.970 20 0 EDADMP O=CN1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000278828868 443454796 /nfs/dbraw/zinc/45/47/96/443454796.db2.gz TVASBWCJJBUCLL-IBGZPJMESA-N 2 1 331.460 1.354 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000422700835 319733342 /nfs/dbraw/zinc/73/33/42/319733342.db2.gz CKGGSDKGAFZGFU-QWHCGFSZSA-N 2 1 327.494 1.979 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1=CC[NH+](C)CC1 ZINC000273029579 443523018 /nfs/dbraw/zinc/52/30/18/443523018.db2.gz UTRWBYJZMIACOZ-LPHOPBHVSA-N 2 1 343.471 1.654 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1=CC[NH+](C)CC1 ZINC000273029579 443523021 /nfs/dbraw/zinc/52/30/21/443523021.db2.gz UTRWBYJZMIACOZ-LPHOPBHVSA-N 2 1 343.471 1.654 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1=CC[N@H+](C)CC1 ZINC000273029579 443523022 /nfs/dbraw/zinc/52/30/22/443523022.db2.gz UTRWBYJZMIACOZ-LPHOPBHVSA-N 2 1 343.471 1.654 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1=CC[N@@H+](C)CC1 ZINC000273029579 443523026 /nfs/dbraw/zinc/52/30/26/443523026.db2.gz UTRWBYJZMIACOZ-LPHOPBHVSA-N 2 1 343.471 1.654 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000272138033 443537929 /nfs/dbraw/zinc/53/79/29/443537929.db2.gz XSDNODAUKWXUNP-UHFFFAOYSA-N 2 1 346.475 1.688 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000272299252 443584984 /nfs/dbraw/zinc/58/49/84/443584984.db2.gz QINYTIOFIHIZBG-CGTJXYLNSA-N 2 1 330.476 1.171 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+]CN2CCC(=O)CC2)[C@@H](c2ccccc2)C1 ZINC000273141039 443548478 /nfs/dbraw/zinc/54/84/78/443548478.db2.gz WUCQEKUNBHXCGS-HXUWFJFHSA-N 2 1 344.503 1.577 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCC[C@H]1CCC[NH2+]1 ZINC000444274044 320124381 /nfs/dbraw/zinc/12/43/81/320124381.db2.gz WTSHDEWFGVQJAD-QZTJIDSGSA-N 2 1 331.460 1.536 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[C@H]1CCC[NH2+]1 ZINC000444274044 320124383 /nfs/dbraw/zinc/12/43/83/320124383.db2.gz WTSHDEWFGVQJAD-QZTJIDSGSA-N 2 1 331.460 1.536 20 0 EDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000449728621 320202492 /nfs/dbraw/zinc/20/24/92/320202492.db2.gz WJTWOOMAMSTAFC-SQNIBIBYSA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000449728621 320202494 /nfs/dbraw/zinc/20/24/94/320202494.db2.gz WJTWOOMAMSTAFC-SQNIBIBYSA-N 2 1 331.460 1.521 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CC[NH2+]C3(C)C)CC2)cs1 ZINC000449752060 320205536 /nfs/dbraw/zinc/20/55/36/320205536.db2.gz MGCQBNFLMXMVBP-OAHLLOKOSA-N 2 1 336.505 1.920 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3C[NH+](Cc4ccccc4)CCO3)C[C@@H]21 ZINC000453036475 320260030 /nfs/dbraw/zinc/26/00/30/320260030.db2.gz ODXJREIZDRBTOJ-QRVBRYPASA-N 2 1 343.471 1.440 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3C[NH+](Cc4ccccc4)CCO3)C[C@@H]21 ZINC000453036475 320260032 /nfs/dbraw/zinc/26/00/32/320260032.db2.gz ODXJREIZDRBTOJ-QRVBRYPASA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@@H]21 ZINC000453036475 320260033 /nfs/dbraw/zinc/26/00/33/320260033.db2.gz ODXJREIZDRBTOJ-QRVBRYPASA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@@H]21 ZINC000453036475 320260035 /nfs/dbraw/zinc/26/00/35/320260035.db2.gz ODXJREIZDRBTOJ-QRVBRYPASA-N 2 1 343.471 1.440 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@@H+]1C ZINC000457481184 320327718 /nfs/dbraw/zinc/32/77/18/320327718.db2.gz DTYGEVHADJHCOG-JZXOWHBKSA-N 2 1 330.476 1.995 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1C ZINC000457481184 320327719 /nfs/dbraw/zinc/32/77/19/320327719.db2.gz DTYGEVHADJHCOG-JZXOWHBKSA-N 2 1 330.476 1.995 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1C ZINC000457481184 320327720 /nfs/dbraw/zinc/32/77/20/320327720.db2.gz DTYGEVHADJHCOG-JZXOWHBKSA-N 2 1 330.476 1.995 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457510678 320328852 /nfs/dbraw/zinc/32/88/52/320328852.db2.gz KDMAMUKOLAFRPM-INIZCTEOSA-N 2 1 342.528 1.763 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000457595996 320330014 /nfs/dbraw/zinc/33/00/14/320330014.db2.gz KDLFNJMBMDGGNG-DLBZAZTESA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000457595996 320330015 /nfs/dbraw/zinc/33/00/15/320330015.db2.gz KDLFNJMBMDGGNG-DLBZAZTESA-N 2 1 340.512 1.467 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459376755 320347564 /nfs/dbraw/zinc/34/75/64/320347564.db2.gz SAYHBLNPJFATEN-UHFFFAOYSA-N 2 1 332.435 1.971 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000286291504 443684506 /nfs/dbraw/zinc/68/45/06/443684506.db2.gz GAGZNSWKKNNYFP-CQSZACIVSA-N 2 1 334.489 1.881 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C/c2cncs2)CC1 ZINC000492944087 320391618 /nfs/dbraw/zinc/39/16/18/320391618.db2.gz AEWALPLBRYOXLQ-NSCUHMNNSA-N 2 1 329.429 1.942 20 0 EDADMP O[C@H](CNCc1c[nH]c2nccnc12)C[N@H+]1CCc2ccccc2C1 ZINC000290902431 443706740 /nfs/dbraw/zinc/70/67/40/443706740.db2.gz OCXJAOHTRSMFFK-QGZVFWFLSA-N 2 1 337.427 1.467 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)C[C@H]1C ZINC000280706891 443741475 /nfs/dbraw/zinc/74/14/75/443741475.db2.gz IWQJMHDGFDTUHO-OWCLPIDISA-N 2 1 345.443 1.755 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000298639112 443824739 /nfs/dbraw/zinc/82/47/39/443824739.db2.gz AUWZTCVVPLWICW-RTBURBONSA-N 2 1 342.487 1.971 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000298639112 443824746 /nfs/dbraw/zinc/82/47/46/443824746.db2.gz AUWZTCVVPLWICW-RTBURBONSA-N 2 1 342.487 1.971 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000298639112 443824749 /nfs/dbraw/zinc/82/47/49/443824749.db2.gz AUWZTCVVPLWICW-RTBURBONSA-N 2 1 342.487 1.971 20 0 EDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000285319028 443940340 /nfs/dbraw/zinc/94/03/40/443940340.db2.gz UKWFBGBCUYKTJE-CRAIPNDOSA-N 2 1 342.447 1.409 20 0 EDADMP COCCOCC[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000288781951 443981806 /nfs/dbraw/zinc/98/18/06/443981806.db2.gz JHBBNKJHUNYABF-QGZVFWFLSA-N 2 1 337.464 1.000 20 0 EDADMP COCCOCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000288781951 443981808 /nfs/dbraw/zinc/98/18/08/443981808.db2.gz JHBBNKJHUNYABF-QGZVFWFLSA-N 2 1 337.464 1.000 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000561186269 321035695 /nfs/dbraw/zinc/03/56/95/321035695.db2.gz QGDUHFSKGAJYDM-NJAFHUGGSA-N 2 1 346.475 1.266 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000562810337 321077515 /nfs/dbraw/zinc/07/75/15/321077515.db2.gz MHWXUHGGFICRSU-JKEMJCCQSA-N 2 1 325.416 1.759 20 0 EDADMP C[N@@H+](CCCNC(=O)COC1CCC([NH3+])CC1)Cc1ccccc1 ZINC000563885135 321114300 /nfs/dbraw/zinc/11/43/00/321114300.db2.gz YQYPTXJXZDTWFZ-UHFFFAOYSA-N 2 1 333.476 1.911 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CC(C)(C)O)CC2)CC1 ZINC000564594539 321137099 /nfs/dbraw/zinc/13/70/99/321137099.db2.gz HNHIJISNNHTFLN-UHFFFAOYSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000565190124 321175940 /nfs/dbraw/zinc/17/59/40/321175940.db2.gz GFRHOSIGSKZHFN-QGZVFWFLSA-N 2 1 337.508 1.679 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000566440302 321230552 /nfs/dbraw/zinc/23/05/52/321230552.db2.gz DAQNOONQFPCDFS-DLBZAZTESA-N 2 1 337.508 1.602 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299610705 444094520 /nfs/dbraw/zinc/09/45/20/444094520.db2.gz XKUAALYRUFBANG-UHFFFAOYSA-N 3 1 333.480 1.050 20 0 EDADMP CC(C)[N@H+](C)CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000299610705 444094526 /nfs/dbraw/zinc/09/45/26/444094526.db2.gz XKUAALYRUFBANG-UHFFFAOYSA-N 2 1 333.480 1.050 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000299610705 444094529 /nfs/dbraw/zinc/09/45/29/444094529.db2.gz XKUAALYRUFBANG-UHFFFAOYSA-N 2 1 333.480 1.050 20 0 EDADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567471468 321242630 /nfs/dbraw/zinc/24/26/30/321242630.db2.gz NNQNYNUKDBJSQU-GJZGRUSLSA-N 2 1 348.491 1.385 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000567846106 321262434 /nfs/dbraw/zinc/26/24/34/321262434.db2.gz WKEMWMUPQZLNBP-ZBFHGGJFSA-N 2 1 333.480 1.266 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000568517218 321295389 /nfs/dbraw/zinc/29/53/89/321295389.db2.gz CQYKMUPREYHCHR-SJLPKXTDSA-N 2 1 345.491 1.098 20 0 EDADMP CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000568741139 321304109 /nfs/dbraw/zinc/30/41/09/321304109.db2.gz NTCQCBKDXCVMIG-IBGZPJMESA-N 2 1 335.492 1.310 20 0 EDADMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)[NH+]3CC(C)C3)cn2)CC1 ZINC000570693777 321353917 /nfs/dbraw/zinc/35/39/17/321353917.db2.gz GXWHQVSBDRPTJU-MRXNPFEDSA-N 2 1 345.491 1.180 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000571267803 321381589 /nfs/dbraw/zinc/38/15/89/321381589.db2.gz IJFDEDJBHSMNIT-OAGGEKHMSA-N 2 1 326.485 1.031 20 0 EDADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC000571326619 321382944 /nfs/dbraw/zinc/38/29/44/321382944.db2.gz IOXAMRNBUGLVQN-CVEARBPZSA-N 2 1 340.439 1.248 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000282327680 444149256 /nfs/dbraw/zinc/14/92/56/444149256.db2.gz FNARJBIWZDSXBV-YWTNHNAXSA-N 2 1 345.487 1.985 20 0 EDADMP C[N@@H+](C[C@H](O)CN1CCC(N2CCc3ccccc32)CC1)C1CC1 ZINC000289495814 444158951 /nfs/dbraw/zinc/15/89/51/444158951.db2.gz ZKTWTYKILHIZKM-IBGZPJMESA-N 2 1 329.488 1.969 20 0 EDADMP CN(C[C@H](O)C[NH+]1CCC(N2CCc3ccccc32)CC1)C1CC1 ZINC000289495814 444158954 /nfs/dbraw/zinc/15/89/54/444158954.db2.gz ZKTWTYKILHIZKM-IBGZPJMESA-N 2 1 329.488 1.969 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1CCC(N2CCc3ccccc32)CC1)C1CC1 ZINC000289495814 444158955 /nfs/dbraw/zinc/15/89/55/444158955.db2.gz ZKTWTYKILHIZKM-IBGZPJMESA-N 2 1 329.488 1.969 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(N2CCc3ccccc32)CC1)C1CC1 ZINC000289495814 444158958 /nfs/dbraw/zinc/15/89/58/444158958.db2.gz ZKTWTYKILHIZKM-IBGZPJMESA-N 2 1 329.488 1.969 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)[N@@H+](C)C1 ZINC000285982952 444168678 /nfs/dbraw/zinc/16/86/78/444168678.db2.gz OUNRPKFJAMWUMF-OKZBNKHCSA-N 2 1 348.491 1.650 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)c1cc(N2CCC[C@@H](CO)C2)ncn1 ZINC000301462267 444173035 /nfs/dbraw/zinc/17/30/35/444173035.db2.gz FFGXQKKSIBMJED-CVEARBPZSA-N 2 1 333.480 1.606 20 0 EDADMP CC[NH+]1CCN(c2cc(CNc3nc(N(C)C)cc[nH+]3)ccn2)CC1 ZINC000301703227 444186193 /nfs/dbraw/zinc/18/61/93/444186193.db2.gz AIAPACLNEDDCDF-UHFFFAOYSA-N 2 1 341.463 1.692 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCC(O)CC1 ZINC000296107803 444204994 /nfs/dbraw/zinc/20/49/94/444204994.db2.gz ZHDZIHUWLXEWGR-FXAWDEMLSA-N 2 1 331.504 1.943 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCC(O)CC1 ZINC000296107803 444204995 /nfs/dbraw/zinc/20/49/95/444204995.db2.gz ZHDZIHUWLXEWGR-FXAWDEMLSA-N 2 1 331.504 1.943 20 0 EDADMP C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000304316004 444246662 /nfs/dbraw/zinc/24/66/62/444246662.db2.gz OIBJYZBJHJTUDB-PMACEKPBSA-N 2 1 347.503 1.133 20 0 EDADMP C[NH+](C[C@H](O)CN1CCOCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000304316004 444246664 /nfs/dbraw/zinc/24/66/64/444246664.db2.gz OIBJYZBJHJTUDB-PMACEKPBSA-N 2 1 347.503 1.133 20 0 EDADMP C[NH+](C[C@H](O)CN1CCOCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000304316004 444246667 /nfs/dbraw/zinc/24/66/67/444246667.db2.gz OIBJYZBJHJTUDB-PMACEKPBSA-N 2 1 347.503 1.133 20 0 EDADMP Cc1cc(NC(=O)N2C[C@@H](N3CCOCC3)C[C@H]2C)cn2cc[nH+]c12 ZINC000296846506 444258842 /nfs/dbraw/zinc/25/88/42/444258842.db2.gz KEHLDMJWOAVLFW-ZBFHGGJFSA-N 2 1 343.431 1.970 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)cn1 ZINC000290253001 444259146 /nfs/dbraw/zinc/25/91/46/444259146.db2.gz UJHJPHBSLWIKKP-RDJZCZTQSA-N 2 1 327.432 1.826 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290342289 444269435 /nfs/dbraw/zinc/26/94/35/444269435.db2.gz IEDUZRWHQNZZKY-JZXOWHBKSA-N 2 1 331.435 1.858 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290342289 444269436 /nfs/dbraw/zinc/26/94/36/444269436.db2.gz IEDUZRWHQNZZKY-JZXOWHBKSA-N 2 1 331.435 1.858 20 0 EDADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)CN3CCCC3=O)C2)CC1 ZINC000304042631 444240885 /nfs/dbraw/zinc/24/08/85/444240885.db2.gz IXXGJURPBLZMFX-MSOLQXFVSA-N 2 1 337.508 1.414 20 0 EDADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)CN3CCCC3=O)C2)CC1 ZINC000304042631 444240886 /nfs/dbraw/zinc/24/08/86/444240886.db2.gz IXXGJURPBLZMFX-MSOLQXFVSA-N 2 1 337.508 1.414 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2cccc(N)c2)CC1 ZINC000577377183 321647111 /nfs/dbraw/zinc/64/71/11/321647111.db2.gz FDMLKSXSAAIJIC-UHFFFAOYSA-N 2 1 325.416 1.597 20 0 EDADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000297664788 444315712 /nfs/dbraw/zinc/31/57/12/444315712.db2.gz FGTOGJKSPHMXPO-CRAIPNDOSA-N 2 1 348.491 1.710 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000297717045 444323533 /nfs/dbraw/zinc/32/35/33/444323533.db2.gz YMNXWSBDSLQQPH-MSOLQXFVSA-N 2 1 342.443 1.191 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000297717045 444323534 /nfs/dbraw/zinc/32/35/34/444323534.db2.gz YMNXWSBDSLQQPH-MSOLQXFVSA-N 2 1 342.443 1.191 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)ccn1 ZINC000297562022 444301298 /nfs/dbraw/zinc/30/12/98/444301298.db2.gz RYUHGCAFUOBDQP-SFHVURJKSA-N 2 1 347.507 1.948 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCSC1 ZINC000339983119 444348716 /nfs/dbraw/zinc/34/87/16/444348716.db2.gz XSLKMURTBHLBFT-MRXNPFEDSA-N 2 1 325.522 1.901 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340186584 444367781 /nfs/dbraw/zinc/36/77/81/444367781.db2.gz KBISTJWCFQHNFN-MPGHIAIKSA-N 2 1 349.500 1.928 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCN1CCOC[C@H]1C ZINC000337721617 444373389 /nfs/dbraw/zinc/37/33/89/444373389.db2.gz PRBZDVDDFDYAQO-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000326818325 444378172 /nfs/dbraw/zinc/37/81/72/444378172.db2.gz XCSDVOPWNXFZHT-GASCZTMLSA-N 2 1 327.428 1.604 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](C)CC1 ZINC000327069108 444380664 /nfs/dbraw/zinc/38/06/64/444380664.db2.gz KUASLJDWUFOLMP-RTBURBONSA-N 2 1 344.503 1.262 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCSCC1 ZINC000337745181 444385659 /nfs/dbraw/zinc/38/56/59/444385659.db2.gz WMYFSEUNIIIFPW-HNNXBMFYSA-N 2 1 328.526 1.455 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCSCC1 ZINC000337745181 444385662 /nfs/dbraw/zinc/38/56/62/444385662.db2.gz WMYFSEUNIIIFPW-HNNXBMFYSA-N 2 1 328.526 1.455 20 0 EDADMP CN(C)c1nc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000340570308 444444171 /nfs/dbraw/zinc/44/41/71/444444171.db2.gz HFJBSOXEQUFEJF-HZPDHXFCSA-N 2 1 327.432 1.590 20 0 EDADMP CN(C)c1nc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000340570308 444444174 /nfs/dbraw/zinc/44/41/74/444444174.db2.gz HFJBSOXEQUFEJF-HZPDHXFCSA-N 2 1 327.432 1.590 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000332002547 444495275 /nfs/dbraw/zinc/49/52/75/444495275.db2.gz OEBNYFDJRNLRQE-XUWVNRHRSA-N 2 1 326.485 1.112 20 0 EDADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000580307621 322033974 /nfs/dbraw/zinc/03/39/74/322033974.db2.gz YKXCDTSPUOMFSR-GJZGRUSLSA-N 2 1 340.512 1.070 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000580702987 322084155 /nfs/dbraw/zinc/08/41/55/322084155.db2.gz QFWZTZQHLWAVMX-HNNXBMFYSA-N 2 1 329.448 1.671 20 0 EDADMP CCOC[C@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000580723878 322087922 /nfs/dbraw/zinc/08/79/22/322087922.db2.gz MUNYJGXMKAZRRA-HNNXBMFYSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000580923698 322112069 /nfs/dbraw/zinc/11/20/69/322112069.db2.gz TYUVNQMKGBCPER-GUDVDZBRSA-N 2 1 339.524 1.672 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2C)CC1 ZINC000340915219 444573460 /nfs/dbraw/zinc/57/34/60/444573460.db2.gz IHMDFSJCVVXZTL-LPHOPBHVSA-N 2 1 345.487 1.531 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343765728 444575207 /nfs/dbraw/zinc/57/52/07/444575207.db2.gz IUPGFDBPJMXSHL-BQRFXZSASA-N 2 1 335.492 1.284 20 0 EDADMP Cc1cnc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1C ZINC000341005926 444627254 /nfs/dbraw/zinc/62/72/54/444627254.db2.gz JGMVITUPSXMGIO-UHFFFAOYSA-N 2 1 328.464 1.425 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C1CCCC1 ZINC000333499549 444676510 /nfs/dbraw/zinc/67/65/10/444676510.db2.gz DDYNWMMVFUWBLP-SJORKVTESA-N 2 1 338.496 1.399 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)[NH+](C)C ZINC000341107615 444677604 /nfs/dbraw/zinc/67/76/04/444677604.db2.gz WYUDYWFNPNSGLV-SFHVURJKSA-N 2 1 338.540 1.590 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000342341318 444641955 /nfs/dbraw/zinc/64/19/55/444641955.db2.gz SUICPGDVDIZEQK-RHSMWYFYSA-N 2 1 338.496 1.221 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)cn1 ZINC000333895334 444710927 /nfs/dbraw/zinc/71/09/27/444710927.db2.gz YZBVREDKHRQVEC-NVXWUHKLSA-N 2 1 348.495 1.118 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)cn1 ZINC000333895334 444710930 /nfs/dbraw/zinc/71/09/30/444710930.db2.gz YZBVREDKHRQVEC-NVXWUHKLSA-N 2 1 348.495 1.118 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000333927641 444721122 /nfs/dbraw/zinc/72/11/22/444721122.db2.gz WOSQEPRBEDMGLT-BPKGMFCQSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000333927641 444721125 /nfs/dbraw/zinc/72/11/25/444721125.db2.gz WOSQEPRBEDMGLT-BPKGMFCQSA-N 2 1 338.496 1.125 20 0 EDADMP CCn1cc(CN2CCCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC000342453116 444697541 /nfs/dbraw/zinc/69/75/41/444697541.db2.gz BYOWCHGKLRGYQH-DOTOQJQBSA-N 2 1 333.480 1.135 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC2)cn1 ZINC000342453116 444697544 /nfs/dbraw/zinc/69/75/44/444697544.db2.gz BYOWCHGKLRGYQH-DOTOQJQBSA-N 2 1 333.480 1.135 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC2)cn1 ZINC000342453116 444697546 /nfs/dbraw/zinc/69/75/46/444697546.db2.gz BYOWCHGKLRGYQH-DOTOQJQBSA-N 2 1 333.480 1.135 20 0 EDADMP CCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC000342453116 444697548 /nfs/dbraw/zinc/69/75/48/444697548.db2.gz BYOWCHGKLRGYQH-DOTOQJQBSA-N 2 1 333.480 1.135 20 0 EDADMP CCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC000342453116 444697551 /nfs/dbraw/zinc/69/75/51/444697551.db2.gz BYOWCHGKLRGYQH-DOTOQJQBSA-N 2 1 333.480 1.135 20 0 EDADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1CC(C)(C)O ZINC000334107990 444783316 /nfs/dbraw/zinc/78/33/16/444783316.db2.gz ZMQAXVKURZZRAN-WZYMTQMTSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1CC(C)(C)O ZINC000334107990 444783322 /nfs/dbraw/zinc/78/33/22/444783322.db2.gz ZMQAXVKURZZRAN-WZYMTQMTSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1CC(C)(C)O ZINC000334107990 444783324 /nfs/dbraw/zinc/78/33/24/444783324.db2.gz ZMQAXVKURZZRAN-WZYMTQMTSA-N 2 1 338.496 1.098 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H](C)C[NH+](C)C)CC2)cs1 ZINC000341311931 444774238 /nfs/dbraw/zinc/77/42/38/444774238.db2.gz WWWAAVZZIUNEKM-ZDUSSCGKSA-N 2 1 338.521 1.977 20 0 EDADMP C[C@@H]1C[C@H](CO)CC[NH+]1CCOCC[N@@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344125559 444795795 /nfs/dbraw/zinc/79/57/95/444795795.db2.gz IAQXLRSWXOYMHY-XMTFNYHQSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@@H]1C[C@H](CO)CC[N@H+]1CCOCC[NH+]1CC[C@@H](CO)C[C@@H]1C ZINC000344125559 444795797 /nfs/dbraw/zinc/79/57/97/444795797.db2.gz IAQXLRSWXOYMHY-XMTFNYHQSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@@H]1C[C@H](CO)CC[N@@H+]1CCOCC[NH+]1CC[C@@H](CO)C[C@@H]1C ZINC000344125559 444795800 /nfs/dbraw/zinc/79/58/00/444795800.db2.gz IAQXLRSWXOYMHY-XMTFNYHQSA-N 2 1 328.497 1.189 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC[NH+](C)[C@H](C)CC)C[C@H]1CC ZINC000342658086 444800664 /nfs/dbraw/zinc/80/06/64/444800664.db2.gz PYGIJGQWHNFYOU-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@H+](C)[C@H](C)CC)C[C@H]1CC ZINC000342658086 444800666 /nfs/dbraw/zinc/80/06/66/444800666.db2.gz PYGIJGQWHNFYOU-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+](C)[C@H](C)CC)C[C@H]1CC ZINC000342658086 444800670 /nfs/dbraw/zinc/80/06/70/444800670.db2.gz PYGIJGQWHNFYOU-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000342732538 444839120 /nfs/dbraw/zinc/83/91/20/444839120.db2.gz ZTXJLGUYXTZSBG-CBZIJGRNSA-N 2 1 325.497 1.626 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CCC[NH2+][C@H]3C)c2)CCO1 ZINC000342765391 444855890 /nfs/dbraw/zinc/85/58/90/444855890.db2.gz NTMDTVFAGVILDB-JTDSTZFVSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CCC[NH2+][C@H]3C)c2)CCO1 ZINC000342765391 444855893 /nfs/dbraw/zinc/85/58/93/444855893.db2.gz NTMDTVFAGVILDB-JTDSTZFVSA-N 2 1 345.487 1.912 20 0 EDADMP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CC[NH2+]CC1(F)F ZINC000342712424 444829324 /nfs/dbraw/zinc/82/93/24/444829324.db2.gz RXLXGKICLQIBDS-CQSZACIVSA-N 2 1 345.434 1.383 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000337066074 444926626 /nfs/dbraw/zinc/92/66/26/444926626.db2.gz JXQQQNGPGUNOAN-RYRKJORJSA-N 2 1 325.412 1.648 20 0 EDADMP Cn1cc(C[N@@H+](C)C2CCN(CCO)CC2)c(-c2ccccc2)n1 ZINC000342951036 444961379 /nfs/dbraw/zinc/96/13/79/444961379.db2.gz JKMKVBBEYAOXLT-UHFFFAOYSA-N 2 1 328.460 1.976 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)C(C)C ZINC000344510434 445023021 /nfs/dbraw/zinc/02/30/21/445023021.db2.gz GXTAEPQMQCYTOT-INIZCTEOSA-N 2 1 328.501 1.109 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cncn1C ZINC000339089969 445027870 /nfs/dbraw/zinc/02/78/70/445027870.db2.gz ABFDLBHVIVMOGC-KRWDZBQOSA-N 3 1 335.496 1.227 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000344548955 445052329 /nfs/dbraw/zinc/05/23/29/445052329.db2.gz OHSJPXMCIFDTNK-BRWVUGGUSA-N 2 1 338.496 1.005 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000337354570 445044448 /nfs/dbraw/zinc/04/44/48/445044448.db2.gz AOAGUAFOROPSBP-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000337354570 445044452 /nfs/dbraw/zinc/04/44/52/445044452.db2.gz AOAGUAFOROPSBP-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000337354570 445044456 /nfs/dbraw/zinc/04/44/56/445044456.db2.gz AOAGUAFOROPSBP-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP COc1ccccc1CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342116608 445181428 /nfs/dbraw/zinc/18/14/28/445181428.db2.gz YDBJQDAIWBAEHU-BHYGNILZSA-N 2 1 331.460 1.713 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000337659274 445190718 /nfs/dbraw/zinc/19/07/18/445190718.db2.gz PLWTYVFTDMQRKF-CVEARBPZSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000337659274 445190721 /nfs/dbraw/zinc/19/07/21/445190721.db2.gz PLWTYVFTDMQRKF-CVEARBPZSA-N 2 1 340.512 1.469 20 0 EDADMP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC000339549147 445149233 /nfs/dbraw/zinc/14/92/33/445149233.db2.gz WHHGXRMJNOIISV-KURKYZTESA-N 2 1 334.508 1.987 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000346278048 445210577 /nfs/dbraw/zinc/21/05/77/445210577.db2.gz PJMIXIXWKXUJKR-CVEARBPZSA-N 2 1 339.528 1.137 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343374847 445212160 /nfs/dbraw/zinc/21/21/60/445212160.db2.gz UTOVTVUYFIEHLL-HKUYNNGSSA-N 2 1 349.523 1.505 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1=O ZINC000343410801 445217751 /nfs/dbraw/zinc/21/77/51/445217751.db2.gz SDOGHKQJSSHLDI-DLBZAZTESA-N 2 1 345.491 1.448 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1=O ZINC000343410802 445217761 /nfs/dbraw/zinc/21/77/61/445217761.db2.gz SDOGHKQJSSHLDI-IAGOWNOFSA-N 2 1 345.491 1.448 20 0 EDADMP COC(=O)[C@@H]1CC[NH+](C[C@@H](C)C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000347005158 445229256 /nfs/dbraw/zinc/22/92/56/445229256.db2.gz BFISKCKFIVGJHU-UVPYHEFZSA-N 2 1 340.464 1.389 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](C)C[NH+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000347005158 445229257 /nfs/dbraw/zinc/22/92/57/445229257.db2.gz BFISKCKFIVGJHU-UVPYHEFZSA-N 2 1 340.464 1.389 20 0 EDADMP COC(=O)[C@@H]1CC[N@H+](C[C@@H](C)C[NH+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000347005158 445229258 /nfs/dbraw/zinc/22/92/58/445229258.db2.gz BFISKCKFIVGJHU-UVPYHEFZSA-N 2 1 340.464 1.389 20 0 EDADMP C[C@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000347147265 445232843 /nfs/dbraw/zinc/23/28/43/445232843.db2.gz MOIVXMUTRSTJEK-JKSUJKDBSA-N 2 1 325.497 1.412 20 0 EDADMP CCOC(=O)C[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343599741 445257492 /nfs/dbraw/zinc/25/74/92/445257492.db2.gz DUKIPIDEHGPPBB-CYBMUJFWSA-N 2 1 325.453 1.003 20 0 EDADMP COC(=O)CN(C)C(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347951995 445257803 /nfs/dbraw/zinc/25/78/03/445257803.db2.gz JMISKOYNQSQSHY-LSDHHAIUSA-N 2 1 339.480 1.251 20 0 EDADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000348108159 445271603 /nfs/dbraw/zinc/27/16/03/445271603.db2.gz JNVLPRWAZKZVQG-MWDXBVQZSA-N 2 1 338.496 1.364 20 0 EDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348119539 445277408 /nfs/dbraw/zinc/27/74/08/445277408.db2.gz MSZQHYXMTBTJJI-IXDOHACOSA-N 2 1 335.471 1.805 20 0 EDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348119539 445277412 /nfs/dbraw/zinc/27/74/12/445277412.db2.gz MSZQHYXMTBTJJI-IXDOHACOSA-N 2 1 335.471 1.805 20 0 EDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348119539 445277414 /nfs/dbraw/zinc/27/74/14/445277414.db2.gz MSZQHYXMTBTJJI-IXDOHACOSA-N 2 1 335.471 1.805 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000351790401 445322923 /nfs/dbraw/zinc/32/29/23/445322923.db2.gz PAXJANJKWWGLNV-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000351860516 445345704 /nfs/dbraw/zinc/34/57/04/445345704.db2.gz IVYYEFNRWQHXNP-IRXDYDNUSA-N 2 1 345.487 1.520 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000351860516 445345706 /nfs/dbraw/zinc/34/57/06/445345706.db2.gz IVYYEFNRWQHXNP-IRXDYDNUSA-N 2 1 345.487 1.520 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N(C)C[C@H]1C[C@H](OC)C[N@H+]1C ZINC000348705293 445349712 /nfs/dbraw/zinc/34/97/12/445349712.db2.gz RKBPHVSSEXWPSR-CABCVRRESA-N 2 1 331.526 1.239 20 0 EDADMP C[NH+](C)CCCCCCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000362396771 445359214 /nfs/dbraw/zinc/35/92/14/445359214.db2.gz PUHODEOKAHGMNZ-IAGOWNOFSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000351923733 445377678 /nfs/dbraw/zinc/37/76/78/445377678.db2.gz ADGWOPVSNAHWJO-CVEARBPZSA-N 2 1 340.512 1.326 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000352073086 445473407 /nfs/dbraw/zinc/47/34/07/445473407.db2.gz DGGQEHAVQFCLTB-UHFFFAOYSA-N 2 1 342.509 1.346 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349008000 445474269 /nfs/dbraw/zinc/47/42/69/445474269.db2.gz VYIMGYFBOZBSNU-CRAIPNDOSA-N 2 1 331.460 1.392 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362553949 445435997 /nfs/dbraw/zinc/43/59/97/445435997.db2.gz QXHCMAWPTLPPLP-UONOGXRCSA-N 2 1 342.447 1.723 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000355387215 445457805 /nfs/dbraw/zinc/45/78/05/445457805.db2.gz SQTYETQATIZLQX-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP COC[C@@]1(CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000357274053 445519642 /nfs/dbraw/zinc/51/96/42/445519642.db2.gz XZBZLCSSFZPEFV-BEFAXECRSA-N 2 1 331.460 1.318 20 0 EDADMP COC[C@@]1(CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000357274053 445519644 /nfs/dbraw/zinc/51/96/44/445519644.db2.gz XZBZLCSSFZPEFV-BEFAXECRSA-N 2 1 331.460 1.318 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000352401288 445526743 /nfs/dbraw/zinc/52/67/43/445526743.db2.gz ZBUBMSQLCYFPCP-HZPDHXFCSA-N 2 1 333.480 2.093 20 0 EDADMP C[NH2+]CCC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000357247807 445505693 /nfs/dbraw/zinc/50/56/93/445505693.db2.gz PZCNMOYIYHQEHU-UHFFFAOYSA-N 2 1 338.883 1.578 20 0 EDADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362856163 445583109 /nfs/dbraw/zinc/58/31/09/445583109.db2.gz PZZVGHXTYQPFES-WBVHZDCISA-N 2 1 325.497 1.534 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC000349645577 445633299 /nfs/dbraw/zinc/63/32/99/445633299.db2.gz OJJKZFNYWAGTOK-GVDBMIGSSA-N 2 1 340.512 1.659 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000349645577 445633302 /nfs/dbraw/zinc/63/33/02/445633302.db2.gz OJJKZFNYWAGTOK-GVDBMIGSSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000357921149 445593611 /nfs/dbraw/zinc/59/36/11/445593611.db2.gz PREFPLMWYVKBCD-DLBZAZTESA-N 2 1 341.544 1.432 20 0 EDADMP CCC[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000358563584 445652575 /nfs/dbraw/zinc/65/25/75/445652575.db2.gz IEVHMHKHUHEGDI-UHFFFAOYSA-N 2 1 346.475 1.664 20 0 EDADMP C[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)C[NH+]1CCOCC1 ZINC000349721932 445654788 /nfs/dbraw/zinc/65/47/88/445654788.db2.gz OALOFNIBIGKZQV-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000349775304 445673977 /nfs/dbraw/zinc/67/39/77/445673977.db2.gz ITTWBRMJPFWJOY-DLBZAZTESA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000349775304 445673981 /nfs/dbraw/zinc/67/39/81/445673981.db2.gz ITTWBRMJPFWJOY-DLBZAZTESA-N 2 1 338.496 1.221 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358638310 445688315 /nfs/dbraw/zinc/68/83/15/445688315.db2.gz USGFCGICMCFUMY-UHFFFAOYSA-N 2 1 338.540 1.594 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000349833339 445692502 /nfs/dbraw/zinc/69/25/02/445692502.db2.gz KXAJIOPALLZQJT-CABCVRRESA-N 2 1 340.512 1.070 20 0 EDADMP Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000363261435 445744726 /nfs/dbraw/zinc/74/47/26/445744726.db2.gz JOGLZSKSPSPDHU-SFHVURJKSA-N 2 1 331.460 1.406 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H](C)O1 ZINC000353796695 445760327 /nfs/dbraw/zinc/76/03/27/445760327.db2.gz PHMLQKSSQQOKHT-OLQSNFDLSA-N 2 1 337.508 1.756 20 0 EDADMP COC(=O)CCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358866758 445820548 /nfs/dbraw/zinc/82/05/48/445820548.db2.gz UMAWOPBSVMFPIU-HOTGVXAUSA-N 2 1 342.480 1.530 20 0 EDADMP C[N@@H+](C[C@H](O)Cc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363481548 445823102 /nfs/dbraw/zinc/82/31/02/445823102.db2.gz TUBBSDZEKYPDLE-VQTJNVASSA-N 2 1 331.504 1.690 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000350283911 445805758 /nfs/dbraw/zinc/80/57/58/445805758.db2.gz ATDLDJNEUFSIHA-DOTOQJQBSA-N 2 1 325.497 1.866 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000350288144 445807851 /nfs/dbraw/zinc/80/78/51/445807851.db2.gz REJJFOBBTOCKNX-KSZLIROESA-N 2 1 339.524 1.924 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000363871849 445880357 /nfs/dbraw/zinc/88/03/57/445880357.db2.gz IFBHRCWXAHHDDO-OKZBNKHCSA-N 2 1 337.508 1.724 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@H]1CCC[NH+]1C ZINC000363520359 445843582 /nfs/dbraw/zinc/84/35/82/445843582.db2.gz QJGKGJXQSMNCHW-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000363520359 445843584 /nfs/dbraw/zinc/84/35/84/445843584.db2.gz QJGKGJXQSMNCHW-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000363520359 445843585 /nfs/dbraw/zinc/84/35/85/445843585.db2.gz QJGKGJXQSMNCHW-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000361609997 445846458 /nfs/dbraw/zinc/84/64/58/445846458.db2.gz KXCQHMABZXWQAS-IYBDPMFKSA-N 2 1 345.491 1.171 20 0 EDADMP COCC[C@]1(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000361717835 445895646 /nfs/dbraw/zinc/89/56/46/445895646.db2.gz IZTDGSXXLRSOMJ-HXUWFJFHSA-N 2 1 345.487 1.567 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000364120418 445896102 /nfs/dbraw/zinc/89/61/02/445896102.db2.gz IXPWIYAJAZXPBL-HNNXBMFYSA-N 2 1 339.443 1.402 20 0 EDADMP COCC[C@]1(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC[NH2+]C1 ZINC000361729831 445902638 /nfs/dbraw/zinc/90/26/38/445902638.db2.gz UZLXOUSKAANHDC-SJLPKXTDSA-N 2 1 325.497 1.631 20 0 EDADMP Cc1nc(CN2CCC(C(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)cs1 ZINC000369149586 445953672 /nfs/dbraw/zinc/95/36/72/445953672.db2.gz OGKCTGVLGZTDNV-INIZCTEOSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H]3CCC[N@H+]3C)CC2)cs1 ZINC000369149586 445953678 /nfs/dbraw/zinc/95/36/78/445953678.db2.gz OGKCTGVLGZTDNV-INIZCTEOSA-N 2 1 336.505 1.874 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000366040598 445976248 /nfs/dbraw/zinc/97/62/48/445976248.db2.gz MVPFYEAPKCNYQW-MRXNPFEDSA-N 2 1 331.464 1.001 20 0 EDADMP CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000361793030 445951690 /nfs/dbraw/zinc/95/16/90/445951690.db2.gz TYLGHYYIPJWFJX-IIAWOOMASA-N 2 1 331.526 1.507 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CC2)c1=O ZINC000365091879 446018859 /nfs/dbraw/zinc/01/88/59/446018859.db2.gz GMQNTJJXMCNYKQ-ZMSDIMECSA-N 2 1 347.507 1.550 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000356793990 446026960 /nfs/dbraw/zinc/02/69/60/446026960.db2.gz LYBQNDBKEDEZLE-INIZCTEOSA-N 2 1 349.479 1.079 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000356793990 446026968 /nfs/dbraw/zinc/02/69/68/446026968.db2.gz LYBQNDBKEDEZLE-INIZCTEOSA-N 2 1 349.479 1.079 20 0 EDADMP O=C(N[C@H]1CCc2nc[nH]c2C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000366082700 446002108 /nfs/dbraw/zinc/00/21/08/446002108.db2.gz DBHBVHQTBXKCFD-HNNXBMFYSA-N 2 1 331.464 1.784 20 0 EDADMP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000354252029 446047198 /nfs/dbraw/zinc/04/71/98/446047198.db2.gz BYNLIZARDNGKMS-IRXDYDNUSA-N 2 1 345.491 1.389 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000354252029 446047201 /nfs/dbraw/zinc/04/72/01/446047201.db2.gz BYNLIZARDNGKMS-IRXDYDNUSA-N 2 1 345.491 1.389 20 0 EDADMP O=S(=O)(c1ccccc1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359188483 446012572 /nfs/dbraw/zinc/01/25/72/446012572.db2.gz KNELFTATTQRGEP-UHFFFAOYSA-N 2 1 337.489 1.383 20 0 EDADMP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000583206724 326026588 /nfs/dbraw/zinc/02/65/88/326026588.db2.gz HYPVUTMUZSOXOS-CQSZACIVSA-N 3 1 333.480 1.796 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351472200 446072516 /nfs/dbraw/zinc/07/25/16/446072516.db2.gz AFSBNAAJPZSJBY-GVDBMIGSSA-N 2 1 331.460 1.468 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351472200 446072523 /nfs/dbraw/zinc/07/25/23/446072523.db2.gz AFSBNAAJPZSJBY-GVDBMIGSSA-N 2 1 331.460 1.468 20 0 EDADMP CCc1cccnc1[C@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000356858471 446077362 /nfs/dbraw/zinc/07/73/62/446077362.db2.gz XROLAXUMTPSTGI-KRWDZBQOSA-N 2 1 334.508 1.685 20 0 EDADMP CC[N@H+](CCC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1)CC1CC1 ZINC000356892814 446101420 /nfs/dbraw/zinc/10/14/20/446101420.db2.gz JXGWVOFLFWDUJX-GOSISDBHSA-N 2 1 337.508 1.678 20 0 EDADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1)CC1CC1 ZINC000356892814 446101426 /nfs/dbraw/zinc/10/14/26/446101426.db2.gz JXGWVOFLFWDUJX-GOSISDBHSA-N 2 1 337.508 1.678 20 0 EDADMP CC[NH+](CCC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1)CC1CC1 ZINC000356892814 446101432 /nfs/dbraw/zinc/10/14/32/446101432.db2.gz JXGWVOFLFWDUJX-GOSISDBHSA-N 2 1 337.508 1.678 20 0 EDADMP CC[NH+](CCC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1)CC1CC1 ZINC000356892814 446101439 /nfs/dbraw/zinc/10/14/39/446101439.db2.gz JXGWVOFLFWDUJX-GOSISDBHSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000369367378 446107262 /nfs/dbraw/zinc/10/72/62/446107262.db2.gz YZENONVBDQRMKI-OAHLLOKOSA-N 2 1 342.443 1.702 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC34CCC(CO)CC4)cn2)CC1 ZINC000361984748 446128896 /nfs/dbraw/zinc/12/88/96/446128896.db2.gz DCPCRQHGNFRBKW-UHFFFAOYSA-N 2 1 345.491 1.355 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC34CCC(CO)CC4)cn2)CC1 ZINC000361984748 446128900 /nfs/dbraw/zinc/12/89/00/446128900.db2.gz DCPCRQHGNFRBKW-UHFFFAOYSA-N 2 1 345.491 1.355 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)CC2)[nH+]c1 ZINC000365354136 446164605 /nfs/dbraw/zinc/16/46/05/446164605.db2.gz JHSXWMMBXDTIOO-DOTOQJQBSA-N 2 1 328.460 1.817 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnnc1C ZINC000362040665 446173123 /nfs/dbraw/zinc/17/31/23/446173123.db2.gz VYOTUHCJFOVQHI-OAHLLOKOSA-N 2 1 334.468 1.665 20 0 EDADMP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1CO ZINC000362072093 446193044 /nfs/dbraw/zinc/19/30/44/446193044.db2.gz KLVRGKNILPJARU-LPHOPBHVSA-N 2 1 345.487 1.459 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000370353518 446243296 /nfs/dbraw/zinc/24/32/96/446243296.db2.gz OOZYJIFDXQOTNB-WCXIOVBPSA-N 2 1 341.521 1.074 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000370353518 446243298 /nfs/dbraw/zinc/24/32/98/446243298.db2.gz OOZYJIFDXQOTNB-WCXIOVBPSA-N 2 1 341.521 1.074 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000370353518 446243300 /nfs/dbraw/zinc/24/33/00/446243300.db2.gz OOZYJIFDXQOTNB-WCXIOVBPSA-N 2 1 341.521 1.074 20 0 EDADMP CCC(CC)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000359403300 446201968 /nfs/dbraw/zinc/20/19/68/446201968.db2.gz GZWBIAGMRBZEJR-RDJZCZTQSA-N 2 1 325.497 1.534 20 0 EDADMP CCC(CC)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000359403300 446201972 /nfs/dbraw/zinc/20/19/72/446201972.db2.gz GZWBIAGMRBZEJR-RDJZCZTQSA-N 2 1 325.497 1.534 20 0 EDADMP CCC(CC)[C@H](C(=O)N(C)C[C@H]1CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000359403298 446202393 /nfs/dbraw/zinc/20/23/93/446202393.db2.gz GZWBIAGMRBZEJR-DOTOQJQBSA-N 2 1 325.497 1.534 20 0 EDADMP CCC(CC)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000359403298 446202397 /nfs/dbraw/zinc/20/23/97/446202397.db2.gz GZWBIAGMRBZEJR-DOTOQJQBSA-N 2 1 325.497 1.534 20 0 EDADMP CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000370307458 446224891 /nfs/dbraw/zinc/22/48/91/446224891.db2.gz HEHCYMDDRIXZMX-IKGGRYGDSA-N 2 1 341.496 1.007 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366578541 446266676 /nfs/dbraw/zinc/26/66/76/446266676.db2.gz ZJFJJWCYQWXOHR-RTBURBONSA-N 2 1 342.487 1.015 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2(C)C[NH+](Cc3ccccc3)C2)C1 ZINC000373577364 446268341 /nfs/dbraw/zinc/26/83/41/446268341.db2.gz NTNRJNYEYFFFKH-QGZVFWFLSA-N 2 1 331.460 1.345 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2(C)C[NH+](Cc3ccccc3)C2)C1 ZINC000373577364 446268345 /nfs/dbraw/zinc/26/83/45/446268345.db2.gz NTNRJNYEYFFFKH-QGZVFWFLSA-N 2 1 331.460 1.345 20 0 EDADMP CCOCC[C@@H](O)C[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000365623832 446278108 /nfs/dbraw/zinc/27/81/08/446278108.db2.gz DFEFPYBSARYFKY-MOPGFXCFSA-N 2 1 336.476 1.343 20 0 EDADMP CCOCC[C@@H](O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365623832 446278114 /nfs/dbraw/zinc/27/81/14/446278114.db2.gz DFEFPYBSARYFKY-MOPGFXCFSA-N 2 1 336.476 1.343 20 0 EDADMP CCOCC[C@@H](O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365623832 446278117 /nfs/dbraw/zinc/27/81/17/446278117.db2.gz DFEFPYBSARYFKY-MOPGFXCFSA-N 2 1 336.476 1.343 20 0 EDADMP CCOCC[C@@H](O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000365623832 446278122 /nfs/dbraw/zinc/27/81/22/446278122.db2.gz DFEFPYBSARYFKY-MOPGFXCFSA-N 2 1 336.476 1.343 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000373886616 446339784 /nfs/dbraw/zinc/33/97/84/446339784.db2.gz UKWMFIJVKGOUKO-AEFFLSMTSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000410889191 446351110 /nfs/dbraw/zinc/35/11/10/446351110.db2.gz YDCYCSBOQSRWTK-MRXNPFEDSA-N 2 1 340.512 1.118 20 0 EDADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCN(C(=O)c3ccco3)CC2)CCCO1 ZINC000366791531 446354254 /nfs/dbraw/zinc/35/42/54/446354254.db2.gz MGRUNOKBIAAQHV-INIZCTEOSA-N 2 1 349.475 1.975 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCN(C(=O)c3ccco3)CC2)CCCO1 ZINC000366791531 446354258 /nfs/dbraw/zinc/35/42/58/446354258.db2.gz MGRUNOKBIAAQHV-INIZCTEOSA-N 2 1 349.475 1.975 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417508671 446357031 /nfs/dbraw/zinc/35/70/31/446357031.db2.gz TZKIGBVSNCIRGW-QRVBRYPASA-N 2 1 342.487 1.412 20 0 EDADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC1C[NH2+]C1 ZINC000417729291 446372095 /nfs/dbraw/zinc/37/20/95/446372095.db2.gz BUVTZCNHFHXMGL-UHFFFAOYSA-N 2 1 342.443 1.930 20 0 EDADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC1C[NH2+]C1 ZINC000417729291 446372101 /nfs/dbraw/zinc/37/21/01/446372101.db2.gz BUVTZCNHFHXMGL-UHFFFAOYSA-N 2 1 342.443 1.930 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417831972 446374347 /nfs/dbraw/zinc/37/43/47/446374347.db2.gz SQOJMIIVBROSDW-BPQIPLTHSA-N 2 1 330.476 1.887 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000417946279 446394454 /nfs/dbraw/zinc/39/44/54/446394454.db2.gz RFHPTBPKPFGXOQ-XSLAGTTESA-N 2 1 328.460 1.825 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000370775321 446433634 /nfs/dbraw/zinc/43/36/34/446433634.db2.gz VNUAXRDGHMMUFF-FRRDWIJNSA-N 2 1 338.477 1.221 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000370775321 446433639 /nfs/dbraw/zinc/43/36/39/446433639.db2.gz VNUAXRDGHMMUFF-FRRDWIJNSA-N 2 1 338.477 1.221 20 0 EDADMP C[C@H](C[C@H]1COCC[NH2+]1)NCc1ccncc1OCCC[NH+](C)C ZINC000423132840 446434647 /nfs/dbraw/zinc/43/46/47/446434647.db2.gz VAXJNJDOENDRFV-WBVHZDCISA-N 2 1 336.480 1.269 20 0 EDADMP C[C@H](C[C@@H]1COCC[NH2+]1)NCc1ccncc1OCCC[NH+](C)C ZINC000423132838 446435244 /nfs/dbraw/zinc/43/52/44/446435244.db2.gz VAXJNJDOENDRFV-NVXWUHKLSA-N 2 1 336.480 1.269 20 0 EDADMP c1nc2c(n1[C@@H]1CC[N@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C1)CCCC2 ZINC000432079342 446448742 /nfs/dbraw/zinc/44/87/42/446448742.db2.gz NEJKDPHGFDOSCA-ZACQAIPSSA-N 2 1 330.476 1.872 20 0 EDADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCN(CCc3ccccc3)C2)CC1(C)C ZINC000366930487 446414865 /nfs/dbraw/zinc/41/48/65/446414865.db2.gz SMSTWZCCCPJFHL-HXUWFJFHSA-N 2 1 344.547 1.919 20 0 EDADMP C[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418012159 446415483 /nfs/dbraw/zinc/41/54/83/446415483.db2.gz RVOSYQPYWXDBJD-DZGCQCFKSA-N 2 1 340.418 1.790 20 0 EDADMP C[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418012159 446415486 /nfs/dbraw/zinc/41/54/86/446415486.db2.gz RVOSYQPYWXDBJD-DZGCQCFKSA-N 2 1 340.418 1.790 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000418011923 446415637 /nfs/dbraw/zinc/41/56/37/446415637.db2.gz LIFXDAYVSLDVJB-AYBZRNKSSA-N 2 1 330.476 1.887 20 0 EDADMP C[N@@H+](CCCN1C(=O)CNC1=O)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374847456 446416378 /nfs/dbraw/zinc/41/63/78/446416378.db2.gz RUFLQCFMUDFUCE-UHFFFAOYSA-N 2 1 345.447 1.172 20 0 EDADMP COC(=O)[C@H](C)C[N@H+]1CCC2(C1)CC[NH+](C[C@@H](C)C(=O)OC)CC2 ZINC000367001973 446456609 /nfs/dbraw/zinc/45/66/09/446456609.db2.gz IIODMKIUWRPKBV-HUUCEWRRSA-N 2 1 340.464 1.393 20 0 EDADMP Nc1nc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)nc(Nc2ccc(F)cc2)n1 ZINC000420308381 446471252 /nfs/dbraw/zinc/47/12/52/446471252.db2.gz JYAVPGVFNOGIEZ-GFCCVEGCSA-N 2 1 345.426 1.897 20 0 EDADMP Nc1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)nc(Nc2ccc(F)cc2)n1 ZINC000420308381 446471262 /nfs/dbraw/zinc/47/12/62/446471262.db2.gz JYAVPGVFNOGIEZ-GFCCVEGCSA-N 2 1 345.426 1.897 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000420309160 446472210 /nfs/dbraw/zinc/47/22/10/446472210.db2.gz OJTODYCAOGZXNM-XLAORIBOSA-N 3 1 330.476 1.075 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423299430 446477746 /nfs/dbraw/zinc/47/77/46/446477746.db2.gz BNRBEFXJHQXJCO-ZDUSSCGKSA-N 2 1 325.478 1.587 20 0 EDADMP COC[C@]1(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000423336475 446493656 /nfs/dbraw/zinc/49/36/56/446493656.db2.gz SUYZKNOHCQBJDY-JZXOWHBKSA-N 2 1 325.497 1.487 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000423338659 446494147 /nfs/dbraw/zinc/49/41/47/446494147.db2.gz USPWAHPOMUGJEC-GASCZTMLSA-N 2 1 336.484 1.115 20 0 EDADMP COc1cc(C[NH+]2C[C@H](O)C[C@@H]2C)cc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1 ZINC000432772973 446502587 /nfs/dbraw/zinc/50/25/87/446502587.db2.gz YTOQFOHZAWGWJX-DFEHZGFQSA-N 2 1 334.460 1.605 20 0 EDADMP COc1cc(C[NH+]2C[C@@H](O)C[C@@H]2C)cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000432772973 446502591 /nfs/dbraw/zinc/50/25/91/446502591.db2.gz YTOQFOHZAWGWJX-DFEHZGFQSA-N 2 1 334.460 1.605 20 0 EDADMP COc1cc(C[NH+]2C[C@@H](O)C[C@@H]2C)cc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000432772973 446502594 /nfs/dbraw/zinc/50/25/94/446502594.db2.gz YTOQFOHZAWGWJX-DFEHZGFQSA-N 2 1 334.460 1.605 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000420335368 446506114 /nfs/dbraw/zinc/50/61/14/446506114.db2.gz HFBVQLJOYAJMNV-QZTJIDSGSA-N 2 1 327.472 1.893 20 0 EDADMP Cc1cccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc(=O)n12 ZINC000420338236 446508090 /nfs/dbraw/zinc/50/80/90/446508090.db2.gz XOGMDRRJWXDKKE-JKSUJKDBSA-N 2 1 326.444 1.824 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@H+]1C[C@H](C)O ZINC000418356021 446512201 /nfs/dbraw/zinc/51/22/01/446512201.db2.gz GGAOAKANBGROSK-USXIJHARSA-N 2 1 340.512 1.381 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343748 446515726 /nfs/dbraw/zinc/51/57/26/446515726.db2.gz RNGKVTDKOSIXKD-BDXSIMOUSA-N 2 1 337.508 1.629 20 0 EDADMP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329373 446497345 /nfs/dbraw/zinc/49/73/45/446497345.db2.gz GMRTUKMJNPDRQR-YTQUADARSA-N 2 1 329.488 1.974 20 0 EDADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC(=O)NCc1ccccc1 ZINC000420329782 446498525 /nfs/dbraw/zinc/49/85/25/446498525.db2.gz HJTLQVIINGLYAU-CALCHBBNSA-N 2 1 344.459 1.334 20 0 EDADMP COC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]C1 ZINC000423361207 446499811 /nfs/dbraw/zinc/49/98/11/446499811.db2.gz RGPXSDANRJVMAW-AZUAARDMSA-N 2 1 345.487 1.293 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000423360220 446500234 /nfs/dbraw/zinc/50/02/34/446500234.db2.gz QBNIXCBHOYJIHF-GJZGRUSLSA-N 2 1 333.480 1.727 20 0 EDADMP COc1ccccc1OCC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420382438 446558786 /nfs/dbraw/zinc/55/87/86/446558786.db2.gz PTQDXOADVZVBPH-HNNXBMFYSA-N 2 1 331.420 1.461 20 0 EDADMP CC[C@@H]1CN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC[N@H+]1C[C@H](C)O ZINC000418481412 446558963 /nfs/dbraw/zinc/55/89/63/446558963.db2.gz DKFRYFMEZMIOSL-RLFYNMQTSA-N 2 1 348.491 1.693 20 0 EDADMP Cn1cc([C@H]2[C@H](CNC(=O)CCn3ccnc3)CCC[N@H+]2C)cn1 ZINC000370920106 446521451 /nfs/dbraw/zinc/52/14/51/446521451.db2.gz ZAHIDXYQRJYXNA-WMLDXEAASA-N 2 1 330.436 1.206 20 0 EDADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347714 446523021 /nfs/dbraw/zinc/52/30/21/446523021.db2.gz HVZAGHXILQPJNQ-DOTOQJQBSA-N 2 1 330.476 1.556 20 0 EDADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347714 446523026 /nfs/dbraw/zinc/52/30/26/446523026.db2.gz HVZAGHXILQPJNQ-DOTOQJQBSA-N 2 1 330.476 1.556 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)c2)C[C@@H](C)O1 ZINC000423415803 446523952 /nfs/dbraw/zinc/52/39/52/446523952.db2.gz PLTHEDXEADPPFE-UMHPPVOVSA-N 2 1 329.444 1.986 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])C3CCC3)C2)cc(OC)c1 ZINC000423418747 446526487 /nfs/dbraw/zinc/52/64/87/446526487.db2.gz ADUIHLBEROYXEK-QAPCUYQASA-N 2 1 347.459 1.522 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])C3CCC3)C2)cc(OC)c1 ZINC000423418747 446526494 /nfs/dbraw/zinc/52/64/94/446526494.db2.gz ADUIHLBEROYXEK-QAPCUYQASA-N 2 1 347.459 1.522 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000418411317 446534577 /nfs/dbraw/zinc/53/45/77/446534577.db2.gz PDUGDHNGQOBDSO-XHSDSOJGSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]1 ZINC000418607319 446612749 /nfs/dbraw/zinc/61/27/49/446612749.db2.gz QSHXJJKNKNLLAL-SJLPKXTDSA-N 2 1 330.476 1.697 20 0 EDADMP CN(Cc1ccccc1)C(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420393780 446569026 /nfs/dbraw/zinc/56/90/26/446569026.db2.gz YNXLZTUOHBCBFX-MSOLQXFVSA-N 2 1 343.471 1.345 20 0 EDADMP CCN(C(=O)C[NH+]1CCC(O)(C[NH3+])CC1)c1cccc2ccccc21 ZINC000420402342 446574175 /nfs/dbraw/zinc/57/41/75/446574175.db2.gz IBFQSVZXHCGQIC-UHFFFAOYSA-N 2 1 341.455 1.978 20 0 EDADMP CCc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420401816 446574199 /nfs/dbraw/zinc/57/41/99/446574199.db2.gz LGLTZGQYXKCCQL-RTBURBONSA-N 2 1 342.487 1.969 20 0 EDADMP CN(C)Cc1ccc(C(=O)NCCN2CCc3sccc3C2)cn1 ZINC000375091352 446574632 /nfs/dbraw/zinc/57/46/32/446574632.db2.gz RURPFASASXBVPN-UHFFFAOYSA-N 2 1 344.484 1.993 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420406098 446579581 /nfs/dbraw/zinc/57/95/81/446579581.db2.gz PSEUNABMTLMAPP-UHFFFAOYSA-N 2 1 349.475 1.015 20 0 EDADMP COCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000411519565 446581683 /nfs/dbraw/zinc/58/16/83/446581683.db2.gz SMMMZFZGEACZRW-MRXNPFEDSA-N 2 1 337.464 1.936 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)CS(C)(=O)=O)C2)nc(C)[nH+]1 ZINC000367767313 446588098 /nfs/dbraw/zinc/58/80/98/446588098.db2.gz KRFGGDBEONTLSG-OCCSQVGLSA-N 2 1 326.466 1.085 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000418550201 446589186 /nfs/dbraw/zinc/58/91/86/446589186.db2.gz LFWMAUOYCADKJI-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418550526 446590763 /nfs/dbraw/zinc/59/07/63/446590763.db2.gz ARCGNSSHGLIMCQ-KANFNMMFSA-N 2 1 342.487 1.758 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418569739 446598244 /nfs/dbraw/zinc/59/82/44/446598244.db2.gz HYFZSVSAOMICDQ-AEFFLSMTSA-N 2 1 330.476 1.820 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)CC1 ZINC000376608789 446602504 /nfs/dbraw/zinc/60/25/04/446602504.db2.gz GLHJKCRLCUHCSX-GOSISDBHSA-N 2 1 339.524 1.672 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCCC2=CC[NH2+]CC2)C[C@H]1CC ZINC000418596051 446608443 /nfs/dbraw/zinc/60/84/43/446608443.db2.gz BJFTYQKRLFAFLL-QGZVFWFLSA-N 2 1 338.496 1.439 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434353730 446640310 /nfs/dbraw/zinc/64/03/10/446640310.db2.gz XFQLJVGECRQXKS-KRWDZBQOSA-N 2 1 338.496 1.367 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434353730 446640315 /nfs/dbraw/zinc/64/03/15/446640315.db2.gz XFQLJVGECRQXKS-KRWDZBQOSA-N 2 1 338.496 1.367 20 0 EDADMP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[NH+]2CCC1CC2 ZINC000375211799 446646546 /nfs/dbraw/zinc/64/65/46/446646546.db2.gz QUTZBJKWCXVFHA-IRXDYDNUSA-N 2 1 336.480 1.119 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000418698045 446652885 /nfs/dbraw/zinc/65/28/85/446652885.db2.gz GZEMUPNCEPXRKP-GPFWEFOESA-N 2 1 342.487 1.899 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000418737147 446660155 /nfs/dbraw/zinc/66/01/55/446660155.db2.gz VHMXGBIMKWONTG-ZIAGYGMSSA-N 2 1 339.509 1.652 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423732028 446666861 /nfs/dbraw/zinc/66/68/61/446666861.db2.gz SESMYCJRGSJGIO-BARDWOONSA-N 2 1 325.453 1.131 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000371088998 446622003 /nfs/dbraw/zinc/62/20/03/446622003.db2.gz PXCBAMAICLKFQQ-BVGQSLNGSA-N 2 1 328.460 1.955 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000371088998 446622009 /nfs/dbraw/zinc/62/20/09/446622009.db2.gz PXCBAMAICLKFQQ-BVGQSLNGSA-N 2 1 328.460 1.955 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000371088998 446622014 /nfs/dbraw/zinc/62/20/14/446622014.db2.gz PXCBAMAICLKFQQ-BVGQSLNGSA-N 2 1 328.460 1.955 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371088998 446622019 /nfs/dbraw/zinc/62/20/19/446622019.db2.gz PXCBAMAICLKFQQ-BVGQSLNGSA-N 2 1 328.460 1.955 20 0 EDADMP CC(C)[C@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000376719499 446675478 /nfs/dbraw/zinc/67/54/78/446675478.db2.gz DCKARFFPGWWYKT-SFHVURJKSA-N 2 1 348.491 1.499 20 0 EDADMP CCCOCC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371094126 446624908 /nfs/dbraw/zinc/62/49/08/446624908.db2.gz NZFXFFFXDYYNKD-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC[N@H+]1C ZINC000418643893 446629851 /nfs/dbraw/zinc/62/98/51/446629851.db2.gz UUPYHWHWWZWZBI-HFTRVMKXSA-N 2 1 330.476 1.998 20 0 EDADMP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000368202845 446706429 /nfs/dbraw/zinc/70/64/29/446706429.db2.gz QJXFMVHVRPJVLI-PVAVHDDUSA-N 2 1 337.414 1.854 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)C(C)C ZINC000436119199 446722919 /nfs/dbraw/zinc/72/29/19/446722919.db2.gz BFLANIWISLFMQK-HNNXBMFYSA-N 2 1 328.501 1.203 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C(C)C ZINC000436119199 446722923 /nfs/dbraw/zinc/72/29/23/446722923.db2.gz BFLANIWISLFMQK-HNNXBMFYSA-N 2 1 328.501 1.203 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C(C)C ZINC000436119199 446722928 /nfs/dbraw/zinc/72/29/28/446722928.db2.gz BFLANIWISLFMQK-HNNXBMFYSA-N 2 1 328.501 1.203 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371290563 446748148 /nfs/dbraw/zinc/74/81/48/446748148.db2.gz DEHRCIXYKSZPOP-DLBZAZTESA-N 2 1 340.512 1.469 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000423933700 446785786 /nfs/dbraw/zinc/78/57/86/446785786.db2.gz SODSBTMZGNPQAZ-WDYCEAGBSA-N 2 1 347.507 1.794 20 0 EDADMP COc1ccc(C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000412049971 446812439 /nfs/dbraw/zinc/81/24/39/446812439.db2.gz ZPEIZTVYJMDSNL-UHFFFAOYSA-N 2 1 339.867 1.945 20 0 EDADMP COc1ccc(C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000412049971 446812445 /nfs/dbraw/zinc/81/24/45/446812445.db2.gz ZPEIZTVYJMDSNL-UHFFFAOYSA-N 2 1 339.867 1.945 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000420767139 446805906 /nfs/dbraw/zinc/80/59/06/446805906.db2.gz UDHAKBPMPWJUDR-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000420767139 446805911 /nfs/dbraw/zinc/80/59/11/446805911.db2.gz UDHAKBPMPWJUDR-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420927985 446900307 /nfs/dbraw/zinc/90/03/07/446900307.db2.gz AWLYECXSWZZNTR-IBGZPJMESA-N 2 1 332.444 1.904 20 0 EDADMP COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420927985 446900313 /nfs/dbraw/zinc/90/03/13/446900313.db2.gz AWLYECXSWZZNTR-IBGZPJMESA-N 2 1 332.444 1.904 20 0 EDADMP C[C@@H]1C[N@H+]([C@@H]2Cc3ccccc3[C@@H]2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371472956 446878777 /nfs/dbraw/zinc/87/87/77/446878777.db2.gz JGKRWKWFRBDADJ-XLNTUCKNSA-N 2 1 329.488 1.603 20 0 EDADMP CCc1nc(CN2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)no1 ZINC000368471881 446884228 /nfs/dbraw/zinc/88/42/28/446884228.db2.gz UPIUZBMSJUEOOF-WZYMTQMTSA-N 2 1 333.480 1.811 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000375621025 446929597 /nfs/dbraw/zinc/92/95/97/446929597.db2.gz NMRQGUHXOQXNTL-UHFFFAOYSA-N 2 1 341.455 1.894 20 0 EDADMP C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442754387 446952609 /nfs/dbraw/zinc/95/26/09/446952609.db2.gz AUFPFNCWVKTELA-SJPCQFCGSA-N 2 1 344.459 1.617 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1Cc1ccc(CN2CCOCC2)cc1 ZINC000420979175 446952724 /nfs/dbraw/zinc/95/27/24/446952724.db2.gz VFVNVQCUNRQSJS-QGZVFWFLSA-N 2 1 333.476 1.017 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000442776946 446963976 /nfs/dbraw/zinc/96/39/76/446963976.db2.gz HXZWYOIGLDNUAB-ZQDZILKHSA-N 2 1 349.475 1.939 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000442776946 446963981 /nfs/dbraw/zinc/96/39/81/446963981.db2.gz HXZWYOIGLDNUAB-ZQDZILKHSA-N 2 1 349.475 1.939 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419203149 447010021 /nfs/dbraw/zinc/01/00/21/447010021.db2.gz HOEOPFNABPOPSR-KRWDZBQOSA-N 2 1 346.475 1.011 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000371888715 446973606 /nfs/dbraw/zinc/97/36/06/446973606.db2.gz QYJWBVQZWIHWAS-BFYDXBDKSA-N 2 1 346.475 1.767 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000371888715 446973609 /nfs/dbraw/zinc/97/36/09/446973609.db2.gz QYJWBVQZWIHWAS-BFYDXBDKSA-N 2 1 346.475 1.767 20 0 EDADMP CN(CCCNC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443061676 447001983 /nfs/dbraw/zinc/00/19/83/447001983.db2.gz SDJGOSWTTMCIIR-QGZVFWFLSA-N 2 1 332.492 1.690 20 0 EDADMP CCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000375784084 447044852 /nfs/dbraw/zinc/04/48/52/447044852.db2.gz AWNHYZCOFMTTSS-ZBFHGGJFSA-N 2 1 333.480 1.957 20 0 EDADMP COc1ccc([C@@H]2[C@@H](CNC(=O)NCC[NH+](C)C)CCC[N@H+]2C)cc1 ZINC000372369776 447049942 /nfs/dbraw/zinc/04/99/42/447049942.db2.gz OIPOAJPDIFXXFR-SJLPKXTDSA-N 2 1 348.491 1.939 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(=O)[nH]n3)C2)nc(C)[nH+]1 ZINC000375851994 447098272 /nfs/dbraw/zinc/09/82/72/447098272.db2.gz MUEUOYKYYAVPCO-JSGCOSHPSA-N 2 1 328.420 1.909 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375906681 447136827 /nfs/dbraw/zinc/13/68/27/447136827.db2.gz PQCMHPPVQGPMOF-OKZBNKHCSA-N 2 1 338.540 1.780 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375906681 447136831 /nfs/dbraw/zinc/13/68/31/447136831.db2.gz PQCMHPPVQGPMOF-OKZBNKHCSA-N 2 1 338.540 1.780 20 0 EDADMP CC1CC[NH+](CCCNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC000419398800 447151080 /nfs/dbraw/zinc/15/10/80/447151080.db2.gz HTZLPPGEOKEMAA-IAGOWNOFSA-N 2 1 340.512 1.205 20 0 EDADMP Cc1csc(=O)n1CC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000368852411 447160111 /nfs/dbraw/zinc/16/01/11/447160111.db2.gz WDNXQQVHQLQXSG-UHFFFAOYSA-N 2 1 339.505 1.793 20 0 EDADMP Cc1csc(=O)n1CC[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000368852411 447160118 /nfs/dbraw/zinc/16/01/18/447160118.db2.gz WDNXQQVHQLQXSG-UHFFFAOYSA-N 2 1 339.505 1.793 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)COc3ccccc3)C2)CC1 ZINC000375892489 447127816 /nfs/dbraw/zinc/12/78/16/447127816.db2.gz VHWKIKUYRCFGNP-MOPGFXCFSA-N 2 1 347.503 1.527 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000376046800 447233971 /nfs/dbraw/zinc/23/39/71/447233971.db2.gz RSWWLMRFRZTUJK-BURFUSLBSA-N 2 1 326.481 1.348 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000376046800 447233976 /nfs/dbraw/zinc/23/39/76/447233976.db2.gz RSWWLMRFRZTUJK-BURFUSLBSA-N 2 1 326.481 1.348 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000376046800 447233981 /nfs/dbraw/zinc/23/39/81/447233981.db2.gz RSWWLMRFRZTUJK-BURFUSLBSA-N 2 1 326.481 1.348 20 0 EDADMP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000372783849 447283667 /nfs/dbraw/zinc/28/36/67/447283667.db2.gz RYWRZBBYMBICQC-CVEARBPZSA-N 2 1 329.554 1.903 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](C2CCCC2)CC1 ZINC000369046193 447285222 /nfs/dbraw/zinc/28/52/22/447285222.db2.gz DFMKNXHCMDOGSP-IAGOWNOFSA-N 2 1 336.480 1.119 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(N(C)C)n2C)[C@H](C)C1 ZINC000414392170 447293541 /nfs/dbraw/zinc/29/35/41/447293541.db2.gz MIDOUYMAPPLPAW-NVXWUHKLSA-N 2 1 337.512 1.713 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc(N(C)C)n2C)[C@H](C)C1 ZINC000414392170 447293546 /nfs/dbraw/zinc/29/35/46/447293546.db2.gz MIDOUYMAPPLPAW-NVXWUHKLSA-N 2 1 337.512 1.713 20 0 EDADMP COC[C@@H](C)NC(=[NH2+])NCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000369025881 447271792 /nfs/dbraw/zinc/27/17/92/447271792.db2.gz FYDRMKQESMEKMS-NVXWUHKLSA-N 2 1 333.480 1.124 20 0 EDADMP CC1CC[NH+](CCCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000369028373 447274132 /nfs/dbraw/zinc/27/41/32/447274132.db2.gz QATMHYODUKGBQP-IAGOWNOFSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458724731 447462000 /nfs/dbraw/zinc/46/20/00/447462000.db2.gz BOCFCKNJIOZFGP-CVEARBPZSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458724731 447462006 /nfs/dbraw/zinc/46/20/06/447462006.db2.gz BOCFCKNJIOZFGP-CVEARBPZSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458724731 447462008 /nfs/dbraw/zinc/46/20/08/447462008.db2.gz BOCFCKNJIOZFGP-CVEARBPZSA-N 2 1 340.512 1.253 20 0 EDADMP COCc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000382469810 447462529 /nfs/dbraw/zinc/46/25/29/447462529.db2.gz GUVXXONQJJKUKT-PBHICJAKSA-N 2 1 335.448 1.506 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495322441 447487768 /nfs/dbraw/zinc/48/77/68/447487768.db2.gz QJFJPQDUDQOIBF-PBHICJAKSA-N 2 1 327.469 1.432 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495322441 447487771 /nfs/dbraw/zinc/48/77/71/447487771.db2.gz QJFJPQDUDQOIBF-PBHICJAKSA-N 2 1 327.469 1.432 20 0 EDADMP C[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC[NH2+]C1 ZINC000390940321 447506570 /nfs/dbraw/zinc/50/65/70/447506570.db2.gz QFTFPAGUOUXYCK-ICSRJNTNSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000427347419 447584525 /nfs/dbraw/zinc/58/45/25/447584525.db2.gz OIRCBRPMOYDZFK-NUJGCVRESA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)c1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)nc(N(C)C)[nH+]1 ZINC000427381672 447589229 /nfs/dbraw/zinc/58/92/29/447589229.db2.gz AACDMFCHISTALI-OAHLLOKOSA-N 2 1 335.496 2.171 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000398028099 447554546 /nfs/dbraw/zinc/55/45/46/447554546.db2.gz MMDJFDGTMJZSAK-RLLQIKCJSA-N 2 1 349.519 1.426 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398028099 447554555 /nfs/dbraw/zinc/55/45/55/447554555.db2.gz MMDJFDGTMJZSAK-RLLQIKCJSA-N 2 1 349.519 1.426 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398028099 447554561 /nfs/dbraw/zinc/55/45/61/447554561.db2.gz MMDJFDGTMJZSAK-RLLQIKCJSA-N 2 1 349.519 1.426 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427156240 447554714 /nfs/dbraw/zinc/55/47/14/447554714.db2.gz XIUFALCFSYKNJW-MSOLQXFVSA-N 2 1 335.492 1.717 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)COC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000398123658 447555678 /nfs/dbraw/zinc/55/56/78/447555678.db2.gz HOZDQMIDUQPTPX-WBVHZDCISA-N 2 1 331.460 1.534 20 0 EDADMP Cc1cnc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)nc1N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000450780405 447573129 /nfs/dbraw/zinc/57/31/29/447573129.db2.gz QHKAAJHXNGOVCM-HZMVEIRTSA-N 2 1 342.491 1.066 20 0 EDADMP Cc1cnc(N2C[C@H]3CC[NH+](C)[C@H]3C2)nc1N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000450780405 447573134 /nfs/dbraw/zinc/57/31/34/447573134.db2.gz QHKAAJHXNGOVCM-HZMVEIRTSA-N 2 1 342.491 1.066 20 0 EDADMP Cc1cnc(N2C[C@H]3CC[NH+](C)[C@H]3C2)nc1N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000450780405 447573142 /nfs/dbraw/zinc/57/31/42/447573142.db2.gz QHKAAJHXNGOVCM-HZMVEIRTSA-N 2 1 342.491 1.066 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000457816909 447638760 /nfs/dbraw/zinc/63/87/60/447638760.db2.gz SJKRGGHQQDYORN-OWCLPIDISA-N 2 1 328.501 1.059 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@H+](C2CC2)C1 ZINC000457845181 447646783 /nfs/dbraw/zinc/64/67/83/447646783.db2.gz AFDHOKUHQXDXMT-HNNXBMFYSA-N 2 1 334.508 1.987 20 0 EDADMP CCC1(CC)CN(C[NH+]2CCC(OCC[NH+](C)C)CC2)C(=O)O1 ZINC000495841762 447605628 /nfs/dbraw/zinc/60/56/28/447605628.db2.gz JPTXVYSLHMQJHG-UHFFFAOYSA-N 2 1 327.469 1.998 20 0 EDADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCc3cn[nH]c3)CC2)C[C@H](C)O1 ZINC000459478439 447681497 /nfs/dbraw/zinc/68/14/97/447681497.db2.gz SOJOCXQMUBGVFO-HOTGVXAUSA-N 2 1 336.480 1.542 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)C[NH+]1CCCCC1 ZINC000457958592 447684733 /nfs/dbraw/zinc/68/47/33/447684733.db2.gz ZKNHOGJEHFTJFJ-SJORKVTESA-N 2 1 340.512 1.254 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@](C)(C[NH3+])C2)C[C@@H](C)O1 ZINC000416926366 447711274 /nfs/dbraw/zinc/71/12/74/447711274.db2.gz UTUIKLKSELXYBW-CPUCHLNUSA-N 2 1 326.485 1.255 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000416927325 447712465 /nfs/dbraw/zinc/71/24/65/447712465.db2.gz VUIXFLWOOVGBTO-OAGGEKHMSA-N 2 1 342.528 1.889 20 0 EDADMP O=C(NCC[NH+]1CCC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429045216 447724192 /nfs/dbraw/zinc/72/41/92/447724192.db2.gz SJWVQIDELKOANQ-GOSISDBHSA-N 2 1 346.475 1.282 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496164386 447731242 /nfs/dbraw/zinc/73/12/42/447731242.db2.gz BKVQWRMUWWSSMC-CVEARBPZSA-N 2 1 343.512 1.924 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[C@@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000458164591 447733436 /nfs/dbraw/zinc/73/34/36/447733436.db2.gz KGBKEPRLMDHOBF-MHORFTMASA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[C@@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000458164591 447733437 /nfs/dbraw/zinc/73/34/37/447733437.db2.gz KGBKEPRLMDHOBF-MHORFTMASA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000458164591 447733441 /nfs/dbraw/zinc/73/34/41/447733441.db2.gz KGBKEPRLMDHOBF-MHORFTMASA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000458164591 447733445 /nfs/dbraw/zinc/73/34/45/447733445.db2.gz KGBKEPRLMDHOBF-MHORFTMASA-N 2 1 339.524 1.968 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000417273034 447740133 /nfs/dbraw/zinc/74/01/33/447740133.db2.gz WEBWNSAYFPMJBA-CABCVRRESA-N 2 1 334.464 1.314 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000417273034 447740137 /nfs/dbraw/zinc/74/01/37/447740137.db2.gz WEBWNSAYFPMJBA-CABCVRRESA-N 2 1 334.464 1.314 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000422776197 447747067 /nfs/dbraw/zinc/74/70/67/447747067.db2.gz DJAHLJYVTPIYEN-UHFFFAOYSA-N 2 1 326.404 1.205 20 0 EDADMP COC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000452087895 447814346 /nfs/dbraw/zinc/81/43/46/447814346.db2.gz PRNFFVBKIWEBEF-INIZCTEOSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1ccc2c(c1)OCCO2 ZINC000430543210 447775952 /nfs/dbraw/zinc/77/59/52/447775952.db2.gz DOUZSJRBBVGHEH-KGLIPLIRSA-N 2 1 349.475 1.940 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1ccc2c(c1)OCCO2 ZINC000430543210 447775953 /nfs/dbraw/zinc/77/59/53/447775953.db2.gz DOUZSJRBBVGHEH-KGLIPLIRSA-N 2 1 349.475 1.940 20 0 EDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000430556161 447777800 /nfs/dbraw/zinc/77/78/00/447777800.db2.gz UFMBRDNICBIVHC-BZUAXINKSA-N 2 1 349.475 1.636 20 0 EDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000430556161 447777802 /nfs/dbraw/zinc/77/78/02/447777802.db2.gz UFMBRDNICBIVHC-BZUAXINKSA-N 2 1 349.475 1.636 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430565410 447780889 /nfs/dbraw/zinc/78/08/89/447780889.db2.gz FVTAONZOWQQMET-CVEARBPZSA-N 2 1 348.466 1.534 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430565410 447780891 /nfs/dbraw/zinc/78/08/91/447780891.db2.gz FVTAONZOWQQMET-CVEARBPZSA-N 2 1 348.466 1.534 20 0 EDADMP COC[C@@]1(CO)CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000451936015 447791085 /nfs/dbraw/zinc/79/10/85/447791085.db2.gz SJUZUMNZWMDYDU-PMACEKPBSA-N 2 1 348.487 1.608 20 0 EDADMP COC[C@@]1(CO)CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000451936015 447791087 /nfs/dbraw/zinc/79/10/87/447791087.db2.gz SJUZUMNZWMDYDU-PMACEKPBSA-N 2 1 348.487 1.608 20 0 EDADMP Cn1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000423051848 447798784 /nfs/dbraw/zinc/79/87/84/447798784.db2.gz OJKLTXMEOLAEIL-KYJSFNMBSA-N 2 1 328.460 1.863 20 0 EDADMP Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423083493 447801621 /nfs/dbraw/zinc/80/16/21/447801621.db2.gz GLJITKCPVJILFL-MWDXBVQZSA-N 2 1 333.480 1.136 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(C)C ZINC000487702538 447836195 /nfs/dbraw/zinc/83/61/95/447836195.db2.gz ZTEOKFLNPOWWPU-IRXDYDNUSA-N 2 1 340.512 1.394 20 0 EDADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813955 447837248 /nfs/dbraw/zinc/83/72/48/447837248.db2.gz AVMZUBBZIKNZHF-TZNCUMHOSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813955 447837249 /nfs/dbraw/zinc/83/72/49/447837249.db2.gz AVMZUBBZIKNZHF-TZNCUMHOSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813955 447837250 /nfs/dbraw/zinc/83/72/50/447837250.db2.gz AVMZUBBZIKNZHF-TZNCUMHOSA-N 2 1 334.508 1.985 20 0 EDADMP COC(=O)[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000530343169 447864234 /nfs/dbraw/zinc/86/42/34/447864234.db2.gz WPYKJYGWWMZMNE-FPCVCCKLSA-N 2 1 340.464 1.533 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000530343169 447864236 /nfs/dbraw/zinc/86/42/36/447864236.db2.gz WPYKJYGWWMZMNE-FPCVCCKLSA-N 2 1 340.464 1.533 20 0 EDADMP COC(=O)[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000530343169 447864238 /nfs/dbraw/zinc/86/42/38/447864238.db2.gz WPYKJYGWWMZMNE-FPCVCCKLSA-N 2 1 340.464 1.533 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496585080 447827105 /nfs/dbraw/zinc/82/71/05/447827105.db2.gz GYMQFFBPBFREPX-SOUVJXGZSA-N 2 1 329.485 1.677 20 0 EDADMP Cc1cc(N2CCC([NH2+][C@H](C3CC3)[C@H]3CNCCO3)CC2)nc(C)[nH+]1 ZINC000575795063 447898415 /nfs/dbraw/zinc/89/84/15/447898415.db2.gz HGNNOWAMWTVZKK-IEBWSBKVSA-N 2 1 345.491 1.419 20 0 EDADMP Cc1cc(N2CC[C@@H]([NH+]3CCC(C[N@@H+](C)C(C)C)CC3)C2=O)n(C)n1 ZINC000524758671 447949472 /nfs/dbraw/zinc/94/94/72/447949472.db2.gz SDXXIJDHKGVWEG-QGZVFWFLSA-N 2 1 347.507 1.886 20 0 EDADMP Cc1cc(N2CC[C@@H]([NH+]3CCC(C[N@H+](C)C(C)C)CC3)C2=O)n(C)n1 ZINC000524758671 447949477 /nfs/dbraw/zinc/94/94/77/447949477.db2.gz SDXXIJDHKGVWEG-QGZVFWFLSA-N 2 1 347.507 1.886 20 0 EDADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000576014439 447951812 /nfs/dbraw/zinc/95/18/12/447951812.db2.gz OYMSHMPHFBMREB-YJBOKZPZSA-N 2 1 346.475 1.316 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1)C[NH+]1CCC2CC1 ZINC000496843243 447961049 /nfs/dbraw/zinc/96/10/49/447961049.db2.gz APPCQUPIGGZQPN-LZLYRXPVSA-N 2 1 335.448 1.504 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@H]1[C@H]1CCCO1)C[NH+]1CCC2CC1 ZINC000496843243 447961055 /nfs/dbraw/zinc/96/10/55/447961055.db2.gz APPCQUPIGGZQPN-LZLYRXPVSA-N 2 1 335.448 1.504 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000530678267 447938636 /nfs/dbraw/zinc/93/86/36/447938636.db2.gz BAPMOLHYKUEIQP-IRXDYDNUSA-N 2 1 339.528 1.186 20 0 EDADMP c1ccc(Cn2nnnc2C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000576108524 447975067 /nfs/dbraw/zinc/97/50/67/447975067.db2.gz AZTFBMGHXPNMAE-DLBZAZTESA-N 2 1 326.448 1.543 20 0 EDADMP c1ccc(Cn2nnnc2C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000576108524 447975075 /nfs/dbraw/zinc/97/50/75/447975075.db2.gz AZTFBMGHXPNMAE-DLBZAZTESA-N 2 1 326.448 1.543 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CCCO1 ZINC000570309699 447985051 /nfs/dbraw/zinc/98/50/51/447985051.db2.gz NGTPIDXWLCPLIW-CQSZACIVSA-N 2 1 336.823 1.982 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CCCO1 ZINC000570309699 447985055 /nfs/dbraw/zinc/98/50/55/447985055.db2.gz NGTPIDXWLCPLIW-CQSZACIVSA-N 2 1 336.823 1.982 20 0 EDADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000531189054 448035865 /nfs/dbraw/zinc/03/58/65/448035865.db2.gz LLTKULZQPOIJIM-HNNXBMFYSA-N 2 1 348.495 1.922 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000571075187 448107023 /nfs/dbraw/zinc/10/70/23/448107023.db2.gz OWUHOPZLRPUZNB-AEFFLSMTSA-N 2 1 349.475 1.706 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000576688026 448114113 /nfs/dbraw/zinc/11/41/13/448114113.db2.gz MRJBRQPCFJPABC-QAPCUYQASA-N 2 1 330.476 1.948 20 0 EDADMP CC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000556723873 448144631 /nfs/dbraw/zinc/14/46/31/448144631.db2.gz BZRMOXCOSGMWMB-GBESFXJTSA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000556723873 448144638 /nfs/dbraw/zinc/14/46/38/448144638.db2.gz BZRMOXCOSGMWMB-GBESFXJTSA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000556723873 448144642 /nfs/dbraw/zinc/14/46/42/448144642.db2.gz BZRMOXCOSGMWMB-GBESFXJTSA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000556723873 448144644 /nfs/dbraw/zinc/14/46/44/448144644.db2.gz BZRMOXCOSGMWMB-GBESFXJTSA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000556723873 448144648 /nfs/dbraw/zinc/14/46/48/448144648.db2.gz BZRMOXCOSGMWMB-GBESFXJTSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000571575646 448173301 /nfs/dbraw/zinc/17/33/01/448173301.db2.gz YRKILSRMPVCCGE-UHFFFAOYSA-N 2 1 332.492 1.191 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NCC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000514672183 448183797 /nfs/dbraw/zinc/18/37/97/448183797.db2.gz RCDZBQHBUBFUHL-GOSISDBHSA-N 2 1 330.476 1.091 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000514776521 448201077 /nfs/dbraw/zinc/20/10/77/448201077.db2.gz RGMFLDNEZKOTLP-ZWKOTPCHSA-N 2 1 349.450 1.675 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000514776521 448201081 /nfs/dbraw/zinc/20/10/81/448201081.db2.gz RGMFLDNEZKOTLP-ZWKOTPCHSA-N 2 1 349.450 1.675 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000532210270 448216139 /nfs/dbraw/zinc/21/61/39/448216139.db2.gz SCSZVJNWVSIDQJ-MAUKXSAKSA-N 2 1 331.460 1.589 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)CC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000514871802 448219535 /nfs/dbraw/zinc/21/95/35/448219535.db2.gz DIDBIRJUPYEEDJ-IYBDPMFKSA-N 2 1 337.508 1.866 20 0 EDADMP O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000577164644 448222211 /nfs/dbraw/zinc/22/22/11/448222211.db2.gz RDNMGHCXMVBRAF-IAGOWNOFSA-N 2 1 336.480 1.239 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000577264966 448251951 /nfs/dbraw/zinc/25/19/51/448251951.db2.gz JOHRHYIDAAECBS-ROUUACIJSA-N 2 1 332.492 1.895 20 0 EDADMP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000582721193 448320823 /nfs/dbraw/zinc/32/08/23/448320823.db2.gz WTEAPIIKCJMXNL-HQSKLWIPSA-N 2 1 332.444 1.844 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000515378154 448303974 /nfs/dbraw/zinc/30/39/74/448303974.db2.gz NKAKMSLPHBRGIH-GJZGRUSLSA-N 2 1 334.468 1.024 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000591442043 448364530 /nfs/dbraw/zinc/36/45/30/448364530.db2.gz FUOWOHBROAWCGS-ROUUACIJSA-N 2 1 330.476 1.186 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000591442043 448364536 /nfs/dbraw/zinc/36/45/36/448364536.db2.gz FUOWOHBROAWCGS-ROUUACIJSA-N 2 1 330.476 1.186 20 0 EDADMP C[N@@H+](CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000591553358 448387660 /nfs/dbraw/zinc/38/76/60/448387660.db2.gz ASAAXLHUWPNERH-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000591553358 448387664 /nfs/dbraw/zinc/38/76/64/448387664.db2.gz ASAAXLHUWPNERH-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000591553358 448387670 /nfs/dbraw/zinc/38/76/70/448387670.db2.gz ASAAXLHUWPNERH-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP COCC1(CNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC[NH2+]CC1 ZINC000577843195 448399162 /nfs/dbraw/zinc/39/91/62/448399162.db2.gz LNWQQYWPWNHNLK-OAHLLOKOSA-N 2 1 340.512 1.422 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@](O)(CC)C3)CC2)CC1 ZINC000516490364 448427587 /nfs/dbraw/zinc/42/75/87/448427587.db2.gz RAHLPFKWLNAWDF-IBGZPJMESA-N 2 1 337.508 1.556 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000577998643 448434118 /nfs/dbraw/zinc/43/41/18/448434118.db2.gz LXMKWASYCKDZTH-QAPCUYQASA-N 2 1 346.475 1.459 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000577998643 448434123 /nfs/dbraw/zinc/43/41/23/448434123.db2.gz LXMKWASYCKDZTH-QAPCUYQASA-N 2 1 346.475 1.459 20 0 EDADMP CC[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000516653501 448457734 /nfs/dbraw/zinc/45/77/34/448457734.db2.gz GEOFWGQJSFGHDY-XSYGEPLQSA-N 2 1 343.471 1.534 20 0 EDADMP CC[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000516653501 448457737 /nfs/dbraw/zinc/45/77/37/448457737.db2.gz GEOFWGQJSFGHDY-XSYGEPLQSA-N 2 1 343.471 1.534 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000516772669 448471443 /nfs/dbraw/zinc/47/14/43/448471443.db2.gz LBOXVQCXPBRRBX-QGZVFWFLSA-N 2 1 325.497 1.820 20 0 EDADMP Cc1ccc(NCCC[NH2+]C[C@@H](O)COc2ccc(F)cc2)[nH+]c1 ZINC000584048241 448469761 /nfs/dbraw/zinc/46/97/61/448469761.db2.gz IHPVMJPPWMMTQA-MRXNPFEDSA-N 2 1 333.407 2.361 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000578190358 448481075 /nfs/dbraw/zinc/48/10/75/448481075.db2.gz DLSSUTHXWKWZHM-AEFFLSMTSA-N 2 1 345.491 1.612 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000566617589 448521906 /nfs/dbraw/zinc/52/19/06/448521906.db2.gz RKMDRMLSCRBJFZ-ZNMIVQPWSA-N 2 1 336.505 1.151 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000528367400 448500749 /nfs/dbraw/zinc/50/07/49/448500749.db2.gz IUWNXGNPGGFVGD-JZXOWHBKSA-N 2 1 340.508 1.474 20 0 EDADMP C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000584728019 448612484 /nfs/dbraw/zinc/61/24/84/448612484.db2.gz XHQCVQNDGNBLNS-WMZOPIPTSA-N 2 1 330.476 1.142 20 0 EDADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000567135216 448620970 /nfs/dbraw/zinc/62/09/70/448620970.db2.gz NAORKWUUKXSFRW-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000567135216 448620975 /nfs/dbraw/zinc/62/09/75/448620975.db2.gz NAORKWUUKXSFRW-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc3c2OCO3)CC1 ZINC000517652659 448601146 /nfs/dbraw/zinc/60/11/46/448601146.db2.gz DKSIDMODVNYWEY-UHFFFAOYSA-N 2 1 340.383 1.814 20 0 EDADMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000518031044 448640293 /nfs/dbraw/zinc/64/02/93/448640293.db2.gz JQEIRQQGTGGTQO-OAGGEKHMSA-N 2 1 331.464 1.714 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000518031044 448640301 /nfs/dbraw/zinc/64/03/01/448640301.db2.gz JQEIRQQGTGGTQO-OAGGEKHMSA-N 2 1 331.464 1.714 20 0 EDADMP OCC1([NH2+]CC2CC2)CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000567276736 448656488 /nfs/dbraw/zinc/65/64/88/448656488.db2.gz UCAXGCMQNMARSP-UHFFFAOYSA-N 2 1 330.472 1.991 20 0 EDADMP C[C@@H](CNC(=O)[C@H]([NH3+])C1CCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000517928589 448630342 /nfs/dbraw/zinc/63/03/42/448630342.db2.gz JIXDHJZEOJVLJH-MAUKXSAKSA-N 2 1 330.476 1.441 20 0 EDADMP CCc1cccc(OC[C@H](O)C[NH2+]C2CC[NH+](CCOC)CC2)c1 ZINC000518519550 448687884 /nfs/dbraw/zinc/68/78/84/448687884.db2.gz XIIGDVFPKAGION-GOSISDBHSA-N 2 1 336.476 1.689 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cncc(OC)n3)CC2)CC1 ZINC000567519960 448710169 /nfs/dbraw/zinc/71/01/69/448710169.db2.gz VQXKFDPWGKQCIA-UHFFFAOYSA-N 2 1 347.463 1.620 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000573821122 448723140 /nfs/dbraw/zinc/72/31/40/448723140.db2.gz XPLSPXATOMLTGT-BZUAXINKSA-N 2 1 326.485 1.447 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCOC)C2)o1 ZINC000592093345 448677891 /nfs/dbraw/zinc/67/78/91/448677891.db2.gz DAIDNGCAUVKQTG-OAHLLOKOSA-N 2 1 337.464 1.962 20 0 EDADMP COCCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000519386239 448764315 /nfs/dbraw/zinc/76/43/15/448764315.db2.gz HUAIBWUSKJJSEP-INMHGKMJSA-N 2 1 342.505 1.745 20 0 EDADMP COCCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000519386239 448764320 /nfs/dbraw/zinc/76/43/20/448764320.db2.gz HUAIBWUSKJJSEP-INMHGKMJSA-N 2 1 342.505 1.745 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000545883375 448804153 /nfs/dbraw/zinc/80/41/53/448804153.db2.gz ARSBFWOQOVQVCB-IEBWSBKVSA-N 2 1 346.475 1.189 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529312373 448816767 /nfs/dbraw/zinc/81/67/67/448816767.db2.gz FCAIKACOIHAEBZ-NXHRZFHOSA-N 2 1 346.475 1.185 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1 ZINC000568271188 448848962 /nfs/dbraw/zinc/84/89/62/448848962.db2.gz XNLPKGYDYPOTRP-UHFFFAOYSA-N 2 1 341.459 1.990 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000574414880 448871395 /nfs/dbraw/zinc/87/13/95/448871395.db2.gz SJMFEOOBBFQHAU-SJLPKXTDSA-N 2 1 341.459 1.620 20 0 EDADMP C[C@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)[NH+]1CC(C)C1 ZINC000574531225 448898186 /nfs/dbraw/zinc/89/81/86/448898186.db2.gz MYTGJAPCMTVJKS-OAHLLOKOSA-N 2 1 334.464 1.369 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000579911499 448906537 /nfs/dbraw/zinc/90/65/37/448906537.db2.gz GIOILDVYFGNXOF-MRXNPFEDSA-N 2 1 339.528 1.042 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)C1CC1 ZINC000579934439 448913615 /nfs/dbraw/zinc/91/36/15/448913615.db2.gz KFKTWLZLIOJUJJ-SJORKVTESA-N 2 1 334.439 1.746 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000588816555 448933859 /nfs/dbraw/zinc/93/38/59/448933859.db2.gz YXBSLEYOYIJLBQ-CABCVRRESA-N 2 1 331.501 1.706 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000521236277 448966645 /nfs/dbraw/zinc/96/66/45/448966645.db2.gz DYJVEJNQJQCPQK-HZPDHXFCSA-N 2 1 326.485 1.175 20 0 EDADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000575073324 449030278 /nfs/dbraw/zinc/03/02/78/449030278.db2.gz ZGERHLGAAJBOAL-SJLPKXTDSA-N 2 1 339.443 1.233 20 0 EDADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000575073324 449030282 /nfs/dbraw/zinc/03/02/82/449030282.db2.gz ZGERHLGAAJBOAL-SJLPKXTDSA-N 2 1 339.443 1.233 20 0 EDADMP C[C@@]1(C[NH3+])CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000582230948 449043771 /nfs/dbraw/zinc/04/37/71/449043771.db2.gz RTOCQEKLHMNNJT-QUCCMNQESA-N 2 1 344.503 1.931 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)o1 ZINC000590116015 449108705 /nfs/dbraw/zinc/10/87/05/449108705.db2.gz RNAFCRSTFBJXAU-HNNXBMFYSA-N 2 1 337.464 1.962 20 0 EDADMP COc1ccc(COCC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604389343 449223054 /nfs/dbraw/zinc/22/30/54/449223054.db2.gz YQAQJJYDILQAHS-IBGZPJMESA-N 2 1 347.503 1.924 20 0 EDADMP COc1ccc(COCC[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604389343 449223059 /nfs/dbraw/zinc/22/30/59/449223059.db2.gz YQAQJJYDILQAHS-IBGZPJMESA-N 2 1 347.503 1.924 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000606633036 449494023 /nfs/dbraw/zinc/49/40/23/449494023.db2.gz FAWSINXCWNOJLY-RDJZCZTQSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000606718264 449515749 /nfs/dbraw/zinc/51/57/49/449515749.db2.gz JQAUYIOKYRDAQA-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000607385031 449607268 /nfs/dbraw/zinc/60/72/68/449607268.db2.gz FBIFQPVBRQSPSR-OALUTQOASA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000607385031 449607273 /nfs/dbraw/zinc/60/72/73/449607273.db2.gz FBIFQPVBRQSPSR-OALUTQOASA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000600967539 449622212 /nfs/dbraw/zinc/62/22/12/449622212.db2.gz ONPZWILAHRSFFT-SJLPKXTDSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000600967539 449622215 /nfs/dbraw/zinc/62/22/15/449622215.db2.gz ONPZWILAHRSFFT-SJLPKXTDSA-N 2 1 330.476 1.186 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c[nH]c4ncncc34)C2)CC1 ZINC000602487248 449627806 /nfs/dbraw/zinc/62/78/06/449627806.db2.gz WGYLACPZIQEKRB-MRXNPFEDSA-N 2 1 328.464 1.510 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(-c2ncon2)cc1 ZINC000617505969 449652991 /nfs/dbraw/zinc/65/29/91/449652991.db2.gz WTWKYICAMLVYKN-AWEZNQCLSA-N 2 1 345.447 1.738 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(-c2ncon2)cc1 ZINC000617505969 449652995 /nfs/dbraw/zinc/65/29/95/449652995.db2.gz WTWKYICAMLVYKN-AWEZNQCLSA-N 2 1 345.447 1.738 20 0 EDADMP COc1cccc(OC)c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506723 449655849 /nfs/dbraw/zinc/65/58/49/449655849.db2.gz XEGXBBWLSJUHPU-AWEZNQCLSA-N 2 1 337.464 1.706 20 0 EDADMP COc1cccc(OC)c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506723 449655852 /nfs/dbraw/zinc/65/58/52/449655852.db2.gz XEGXBBWLSJUHPU-AWEZNQCLSA-N 2 1 337.464 1.706 20 0 EDADMP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000601000153 449644361 /nfs/dbraw/zinc/64/43/61/449644361.db2.gz SZTUCUBKPZVPRS-SFHVURJKSA-N 2 1 333.476 1.770 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(O)CCCC(C)(C)C1 ZINC000617502321 449645028 /nfs/dbraw/zinc/64/50/28/449645028.db2.gz LQLLWSCHUQCZMJ-MAUKXSAKSA-N 2 1 327.513 1.706 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(O)CCCC(C)(C)C1 ZINC000617502321 449645030 /nfs/dbraw/zinc/64/50/30/449645030.db2.gz LQLLWSCHUQCZMJ-MAUKXSAKSA-N 2 1 327.513 1.706 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C ZINC000617504166 449646732 /nfs/dbraw/zinc/64/67/32/449646732.db2.gz INNGZKGKSCHIJX-RLFYNMQTSA-N 2 1 349.475 1.603 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C ZINC000617504166 449646734 /nfs/dbraw/zinc/64/67/34/449646734.db2.gz INNGZKGKSCHIJX-RLFYNMQTSA-N 2 1 349.475 1.603 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1 ZINC000608225135 449778976 /nfs/dbraw/zinc/77/89/76/449778976.db2.gz VKDPEADTDCQOIY-INIZCTEOSA-N 2 1 346.475 1.203 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000608225135 449778994 /nfs/dbraw/zinc/77/89/94/449778994.db2.gz VKDPEADTDCQOIY-INIZCTEOSA-N 2 1 346.475 1.203 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000608225135 449778999 /nfs/dbraw/zinc/77/89/99/449778999.db2.gz VKDPEADTDCQOIY-INIZCTEOSA-N 2 1 346.475 1.203 20 0 EDADMP CC(C)(C)OC(=O)COCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000601296000 449807034 /nfs/dbraw/zinc/80/70/34/449807034.db2.gz MJLRQDSETWOWBO-HNNXBMFYSA-N 2 1 328.453 1.188 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000594954218 449819841 /nfs/dbraw/zinc/81/98/41/449819841.db2.gz RTRPOXKRZFQYAZ-IRXDYDNUSA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000594954218 449819846 /nfs/dbraw/zinc/81/98/46/449819846.db2.gz RTRPOXKRZFQYAZ-IRXDYDNUSA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000594954218 449819850 /nfs/dbraw/zinc/81/98/50/449819850.db2.gz RTRPOXKRZFQYAZ-IRXDYDNUSA-N 2 1 338.496 1.127 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2)C(=O)OC ZINC000602877017 449886297 /nfs/dbraw/zinc/88/62/97/449886297.db2.gz KAZRSUNXLIYEEL-HOCLYGCPSA-N 2 1 339.480 1.108 20 0 EDADMP CCO[C@H]1C[C@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000617955051 449948023 /nfs/dbraw/zinc/94/80/23/449948023.db2.gz GYYODFLSZBDORU-SAABIXHNSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000608709077 449916900 /nfs/dbraw/zinc/91/69/00/449916900.db2.gz KKUVOFSVFIEFMJ-IRXDYDNUSA-N 2 1 339.528 1.042 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3C[C@@H]4CCCC[C@@H]4NC3=O)C2)CC1 ZINC000595312058 450026184 /nfs/dbraw/zinc/02/61/84/450026184.db2.gz KWNBTMXPGQJTEU-XWTMOSNGSA-N 2 1 334.508 1.146 20 0 EDADMP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000615273789 450037826 /nfs/dbraw/zinc/03/78/26/450037826.db2.gz FUSOMQJKZZHLNC-ROUUACIJSA-N 2 1 335.492 1.573 20 0 EDADMP COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603111530 450073427 /nfs/dbraw/zinc/07/34/27/450073427.db2.gz RKCLAXPXOKVDJQ-HNNXBMFYSA-N 2 1 342.484 1.045 20 0 EDADMP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000615316910 450060483 /nfs/dbraw/zinc/06/04/83/450060483.db2.gz ZZCPKMJBOFGTKY-AAEUAGOBSA-N 2 1 330.436 1.199 20 0 EDADMP CC(C)(C)OC(=O)CN1CC[C@H](N2CCC[C@H](c3ncc[nH]3)C2)C1=O ZINC000595377200 450091641 /nfs/dbraw/zinc/09/16/41/450091641.db2.gz MDNPZVITNWCXDR-KBPBESRZSA-N 2 1 348.447 1.532 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CCc3ccccc3)C2)C1 ZINC000618354800 450171125 /nfs/dbraw/zinc/17/11/25/450171125.db2.gz JIZOOHTXNHIBPQ-MOPGFXCFSA-N 2 1 345.487 1.483 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CCc3ccccc3)C2)C1 ZINC000618354800 450171128 /nfs/dbraw/zinc/17/11/28/450171128.db2.gz JIZOOHTXNHIBPQ-MOPGFXCFSA-N 2 1 345.487 1.483 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000618354800 450171131 /nfs/dbraw/zinc/17/11/31/450171131.db2.gz JIZOOHTXNHIBPQ-MOPGFXCFSA-N 2 1 345.487 1.483 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000618354800 450171134 /nfs/dbraw/zinc/17/11/34/450171134.db2.gz JIZOOHTXNHIBPQ-MOPGFXCFSA-N 2 1 345.487 1.483 20 0 EDADMP NC(=O)Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603517417 450317597 /nfs/dbraw/zinc/31/75/97/450317597.db2.gz UQAZTYVGJDPKJS-GOSISDBHSA-N 2 1 331.460 1.447 20 0 EDADMP Cn1cnc(CCNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)c1 ZINC000616208067 450354999 /nfs/dbraw/zinc/35/49/99/450354999.db2.gz SANLDHGRIWMXEF-UHFFFAOYSA-N 2 1 337.427 1.862 20 0 EDADMP Cn1cnc(CCNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)c1 ZINC000616208067 450355001 /nfs/dbraw/zinc/35/50/01/450355001.db2.gz SANLDHGRIWMXEF-UHFFFAOYSA-N 2 1 337.427 1.862 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000619899839 450367110 /nfs/dbraw/zinc/36/71/10/450367110.db2.gz PRUXXHGSXZWKJZ-IEBWSBKVSA-N 2 1 331.460 1.224 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000619899839 450367114 /nfs/dbraw/zinc/36/71/14/450367114.db2.gz PRUXXHGSXZWKJZ-IEBWSBKVSA-N 2 1 331.460 1.224 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000619899839 450367121 /nfs/dbraw/zinc/36/71/21/450367121.db2.gz PRUXXHGSXZWKJZ-IEBWSBKVSA-N 2 1 331.460 1.224 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000619900634 450368483 /nfs/dbraw/zinc/36/84/83/450368483.db2.gz XDMLXYPDBXUHHN-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000619900634 450368488 /nfs/dbraw/zinc/36/84/88/450368488.db2.gz XDMLXYPDBXUHHN-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000619900634 450368494 /nfs/dbraw/zinc/36/84/94/450368494.db2.gz XDMLXYPDBXUHHN-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000619900634 450368499 /nfs/dbraw/zinc/36/84/99/450368499.db2.gz XDMLXYPDBXUHHN-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623425656 450519996 /nfs/dbraw/zinc/51/99/96/450519996.db2.gz IFTWEZCKBPNJAW-SFHVURJKSA-N 2 1 346.519 1.940 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623425656 450519998 /nfs/dbraw/zinc/51/99/98/450519998.db2.gz IFTWEZCKBPNJAW-SFHVURJKSA-N 3 1 346.519 1.940 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623425656 450520001 /nfs/dbraw/zinc/52/00/01/450520001.db2.gz IFTWEZCKBPNJAW-SFHVURJKSA-N 3 1 346.519 1.940 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[NH+](C)C ZINC000620724353 450533911 /nfs/dbraw/zinc/53/39/11/450533911.db2.gz ZYKRHXVBYAGWPZ-MOPGFXCFSA-N 2 1 346.519 1.505 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[NH+](C)C ZINC000620724353 450533912 /nfs/dbraw/zinc/53/39/12/450533912.db2.gz ZYKRHXVBYAGWPZ-MOPGFXCFSA-N 2 1 346.519 1.505 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000621110941 450583324 /nfs/dbraw/zinc/58/33/24/450583324.db2.gz ZCGRTRIJSZPYMQ-MRXNPFEDSA-N 2 1 330.476 1.995 20 0 EDADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000626166662 450596888 /nfs/dbraw/zinc/59/68/88/450596888.db2.gz CAYOTAITADZULX-OAHLLOKOSA-N 2 1 328.482 1.233 20 0 EDADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000626166662 450596892 /nfs/dbraw/zinc/59/68/92/450596892.db2.gz CAYOTAITADZULX-OAHLLOKOSA-N 2 1 328.482 1.233 20 0 EDADMP C[N@@H+]1C[C@H](C(=O)N2CC[NH+](C(C)(C)CO)CC2)[C@@H](c2ccccc2)C1 ZINC000626280917 450662219 /nfs/dbraw/zinc/66/22/19/450662219.db2.gz XHKBMTZBQPEXRK-MSOLQXFVSA-N 2 1 345.487 1.247 20 0 EDADMP C[N@H+]1C[C@H](C(=O)N2CC[NH+](C(C)(C)CO)CC2)[C@@H](c2ccccc2)C1 ZINC000626280917 450662222 /nfs/dbraw/zinc/66/22/22/450662222.db2.gz XHKBMTZBQPEXRK-MSOLQXFVSA-N 2 1 345.487 1.247 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000631580349 450665007 /nfs/dbraw/zinc/66/50/07/450665007.db2.gz OMAMYZQFOKPINJ-WDSOQIARSA-N 2 1 349.519 1.866 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000631677853 450709839 /nfs/dbraw/zinc/70/98/39/450709839.db2.gz IKLNFZJZCHDYLE-UHFFFAOYSA-N 2 1 327.494 1.380 20 0 EDADMP Nc1nc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)nc2ccccc12 ZINC000629541785 450727614 /nfs/dbraw/zinc/72/76/14/450727614.db2.gz WEPPPGWLJHOOQE-PBHICJAKSA-N 2 1 341.459 1.930 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cn1 ZINC000626415908 450730191 /nfs/dbraw/zinc/73/01/91/450730191.db2.gz AKVPKQQYKSFQEC-QGZVFWFLSA-N 2 1 348.495 1.973 20 0 EDADMP CN(c1ccccc1C[NH2+]CC1([NH3+])CCOCC1)C1CC[NH+](C)CC1 ZINC000629655163 450772186 /nfs/dbraw/zinc/77/21/86/450772186.db2.gz TUFJDDMXSXJFFR-UHFFFAOYSA-N 3 1 346.519 1.815 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000629567936 450740329 /nfs/dbraw/zinc/74/03/29/450740329.db2.gz HGPATGITPKDUSH-SFHVURJKSA-N 2 1 333.476 1.908 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000629567936 450740334 /nfs/dbraw/zinc/74/03/34/450740334.db2.gz HGPATGITPKDUSH-SFHVURJKSA-N 2 1 333.476 1.908 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629572445 450743151 /nfs/dbraw/zinc/74/31/51/450743151.db2.gz SVRFJLCRODMYFK-HNNXBMFYSA-N 2 1 343.830 1.752 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629572445 450743158 /nfs/dbraw/zinc/74/31/58/450743158.db2.gz SVRFJLCRODMYFK-HNNXBMFYSA-N 2 1 343.830 1.752 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000629585048 450750783 /nfs/dbraw/zinc/75/07/83/450750783.db2.gz YSTCPFHYGSHIME-BGYRXZFFSA-N 2 1 341.455 1.994 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)[C@H](C)C1 ZINC000624266688 450770720 /nfs/dbraw/zinc/77/07/20/450770720.db2.gz SWJFNVXKEFDOGE-NEWSRXKRSA-N 2 1 332.492 1.602 20 0 EDADMP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2Cn2cccn2)C[C@H]1C[NH3+] ZINC000631839422 450806588 /nfs/dbraw/zinc/80/65/88/450806588.db2.gz GGDVQYXUHRKZJW-CRAIPNDOSA-N 2 1 341.459 1.074 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)C[C@H]1C[NH3+] ZINC000631839422 450806594 /nfs/dbraw/zinc/80/65/94/450806594.db2.gz GGDVQYXUHRKZJW-CRAIPNDOSA-N 2 1 341.459 1.074 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000633365760 450821075 /nfs/dbraw/zinc/82/10/75/450821075.db2.gz VRKGZHYVMZCWBN-QGZVFWFLSA-N 2 1 327.432 1.231 20 0 EDADMP Cn1c2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)ccc2oc1=O ZINC000631829107 450801295 /nfs/dbraw/zinc/80/12/95/450801295.db2.gz HATXXZPGBYQTBM-DAYGRLMNSA-N 2 1 345.443 1.992 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000626922237 451006316 /nfs/dbraw/zinc/00/63/16/451006316.db2.gz ROFLXBKGVSUIRV-QGZVFWFLSA-N 2 1 334.464 1.138 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCOCC[NH2+]C)C1 ZINC000626975231 451044605 /nfs/dbraw/zinc/04/46/05/451044605.db2.gz POPGSLREPYQHQS-MRXNPFEDSA-N 2 1 342.528 1.764 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000626935962 451017481 /nfs/dbraw/zinc/01/74/81/451017481.db2.gz QGJBIRPRRDAJBT-OAHLLOKOSA-N 2 1 326.485 1.448 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626936431 451018353 /nfs/dbraw/zinc/01/83/53/451018353.db2.gz VKGZRLQFFIZQNM-HNNXBMFYSA-N 2 1 326.485 1.448 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC[C@H]1C(F)(F)F ZINC000626938236 451019546 /nfs/dbraw/zinc/01/95/46/451019546.db2.gz OFRHJMOPICYGHZ-AAVRWANBSA-N 2 1 348.413 1.782 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)CCOCC[NH3+])C1 ZINC000626947131 451025218 /nfs/dbraw/zinc/02/52/18/451025218.db2.gz MHQLNDBUOXGVRT-GASCZTMLSA-N 2 1 328.501 1.360 20 0 EDADMP C[C@@H](CCNC(=O)NC[C@@H]1COCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000626991653 451057385 /nfs/dbraw/zinc/05/73/85/451057385.db2.gz JQFHGFHPDQQSDF-DOTOQJQBSA-N 2 1 334.464 1.185 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000626997544 451063313 /nfs/dbraw/zinc/06/33/13/451063313.db2.gz AMHFZLLLQCQKGV-RDJZCZTQSA-N 2 1 334.464 1.185 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCC2([NH3+])CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000626999072 451064865 /nfs/dbraw/zinc/06/48/65/451064865.db2.gz WFGMJIILLDHFNS-RDJZCZTQSA-N 2 1 346.475 1.457 20 0 EDADMP C[NH+](C)CCCC1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000632163811 451084426 /nfs/dbraw/zinc/08/44/26/451084426.db2.gz CSKWHSYJNGMWGS-UHFFFAOYSA-N 2 1 331.526 1.464 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000627038813 451095169 /nfs/dbraw/zinc/09/51/69/451095169.db2.gz OJGPCJSWWDIDAI-WMZOPIPTSA-N 2 1 348.491 1.527 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000627157961 451154064 /nfs/dbraw/zinc/15/40/64/451154064.db2.gz FRBNLMFVAXSTTD-OKZBNKHCSA-N 2 1 346.475 1.193 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000635722685 451198265 /nfs/dbraw/zinc/19/82/65/451198265.db2.gz XASLEYKOZJRHBC-HRCADAONSA-N 2 1 334.464 1.717 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000627237133 451203816 /nfs/dbraw/zinc/20/38/16/451203816.db2.gz FJCPGIDLZJMSJE-MAUKXSAKSA-N 2 1 346.475 1.663 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC000638081746 451245854 /nfs/dbraw/zinc/24/58/54/451245854.db2.gz BUPJCDPKGBSEMR-KBXCAEBGSA-N 2 1 346.406 1.703 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638085004 451250118 /nfs/dbraw/zinc/25/01/18/451250118.db2.gz WIEUOJJDAULRCT-SUMDDJOVSA-N 2 1 331.460 1.694 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638091239 451256470 /nfs/dbraw/zinc/25/64/70/451256470.db2.gz RTAINZODEONSLH-LLVKDONJSA-N 2 1 344.410 1.212 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCC3C[NH2+]C3)cc2)C1 ZINC000638092149 451257678 /nfs/dbraw/zinc/25/76/78/451257678.db2.gz DUBWCXINQIVJJQ-MRXNPFEDSA-N 2 1 344.459 1.322 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000634298371 451283634 /nfs/dbraw/zinc/28/36/34/451283634.db2.gz QOFLIIOFQASKRM-GOSISDBHSA-N 2 1 330.476 1.964 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)[C@H]1c1cccs1 ZINC000638121744 451291580 /nfs/dbraw/zinc/29/15/80/451291580.db2.gz HCYYOIHSVARDOT-KMFMINBZSA-N 2 1 337.489 1.626 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000638130558 451301578 /nfs/dbraw/zinc/30/15/78/451301578.db2.gz JZMURIIGWWZWIC-ZFWWWQNUSA-N 2 1 335.448 1.392 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000638130558 451301581 /nfs/dbraw/zinc/30/15/81/451301581.db2.gz JZMURIIGWWZWIC-ZFWWWQNUSA-N 2 1 335.448 1.392 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000638130590 451301650 /nfs/dbraw/zinc/30/16/50/451301650.db2.gz KYAZRJUJBKMCIY-PKOBYXMFSA-N 2 1 345.487 1.755 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000638132867 451304833 /nfs/dbraw/zinc/30/48/33/451304833.db2.gz FSMKHJZWTSEEFM-HUUCEWRRSA-N 2 1 334.489 1.200 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636562748 451306007 /nfs/dbraw/zinc/30/60/07/451306007.db2.gz CJLQEYXXOASMFF-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636562748 451306010 /nfs/dbraw/zinc/30/60/10/451306010.db2.gz CJLQEYXXOASMFF-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636562748 451306015 /nfs/dbraw/zinc/30/60/15/451306015.db2.gz CJLQEYXXOASMFF-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000638136859 451310095 /nfs/dbraw/zinc/31/00/95/451310095.db2.gz NYIRGCIAMVERHS-INIZCTEOSA-N 2 1 332.492 1.438 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000638137380 451310497 /nfs/dbraw/zinc/31/04/97/451310497.db2.gz JOQARTONMOLWGU-WMZOPIPTSA-N 2 1 332.492 1.479 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000638137380 451310504 /nfs/dbraw/zinc/31/05/04/451310504.db2.gz JOQARTONMOLWGU-WMZOPIPTSA-N 2 1 332.492 1.479 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000638137380 451310508 /nfs/dbraw/zinc/31/05/08/451310508.db2.gz JOQARTONMOLWGU-WMZOPIPTSA-N 2 1 332.492 1.479 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000636578171 451318927 /nfs/dbraw/zinc/31/89/27/451318927.db2.gz DQJJCSFZLNXHTB-YOEHRIQHSA-N 2 1 346.479 1.898 20 0 EDADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638158067 451328766 /nfs/dbraw/zinc/32/87/66/451328766.db2.gz OLKGZMIIDWAKTQ-DLBZAZTESA-N 3 1 344.503 1.579 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000638172319 451335465 /nfs/dbraw/zinc/33/54/65/451335465.db2.gz ZCQSDEGVPKFINK-IBGZPJMESA-N 2 1 340.471 1.433 20 0 EDADMP CO[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CCOCC1 ZINC000638184625 451344743 /nfs/dbraw/zinc/34/47/43/451344743.db2.gz ZGEMSGFGURBNSP-BRSBDYLESA-N 2 1 326.481 1.612 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000635960770 451399582 /nfs/dbraw/zinc/39/95/82/451399582.db2.gz IMSLNBPQMQRNNL-UHFFFAOYSA-N 2 1 349.479 1.115 20 0 EDADMP CC(C)OCCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638284051 451402012 /nfs/dbraw/zinc/40/20/12/451402012.db2.gz YXVFVENHRFPIOC-UHFFFAOYSA-N 2 1 333.476 1.911 20 0 EDADMP NC(=O)CC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634642431 451434239 /nfs/dbraw/zinc/43/42/39/451434239.db2.gz KFNXTILANQUOIL-IBGZPJMESA-N 2 1 331.460 1.211 20 0 EDADMP NC(=O)CC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634642431 451434247 /nfs/dbraw/zinc/43/42/47/451434247.db2.gz KFNXTILANQUOIL-IBGZPJMESA-N 2 1 331.460 1.211 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000630879699 451458930 /nfs/dbraw/zinc/45/89/30/451458930.db2.gz MFOWCCDDCIESQA-MWDXBVQZSA-N 2 1 325.497 1.674 20 0 EDADMP CCN1CC[NH+](CCCC[NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC000638360530 451459989 /nfs/dbraw/zinc/45/99/89/451459989.db2.gz TXHAONFBYCSGEI-UHFFFAOYSA-N 2 1 334.464 1.360 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)CC(C)(C)C ZINC000638386584 451479679 /nfs/dbraw/zinc/47/96/79/451479679.db2.gz NPLQHVAPLGKITD-HRCADAONSA-N 2 1 325.497 1.709 20 0 EDADMP C[N@@H+](CC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)CC(C)(C)C ZINC000638393532 451483501 /nfs/dbraw/zinc/48/35/01/451483501.db2.gz RVYVSDVKHSTSOH-BZUAXINKSA-N 2 1 325.497 1.852 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000638338645 451442357 /nfs/dbraw/zinc/44/23/57/451442357.db2.gz CVSSRLXNUPJUKG-UHFFFAOYSA-N 2 1 343.431 1.114 20 0 EDADMP CO[C@@H]1COCC[C@H]1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715329 451495843 /nfs/dbraw/zinc/49/58/43/451495843.db2.gz AYSJABKVBNOPIL-OTWHNJEPSA-N 2 1 334.460 1.265 20 0 EDADMP CO[C@@H]1COCC[C@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715329 451495846 /nfs/dbraw/zinc/49/58/46/451495846.db2.gz AYSJABKVBNOPIL-OTWHNJEPSA-N 2 1 334.460 1.265 20 0 EDADMP C[C@@H](CCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000638410301 451497504 /nfs/dbraw/zinc/49/75/04/451497504.db2.gz YQCJVIIJYHWORO-KRWDZBQOSA-N 3 1 346.519 1.826 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)C[NH+](C)C1CC1 ZINC000634724551 451505791 /nfs/dbraw/zinc/50/57/91/451505791.db2.gz SHVIGWZEOSXXOP-IMFGXOCKSA-N 2 1 331.504 1.799 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000634724551 451505797 /nfs/dbraw/zinc/50/57/97/451505797.db2.gz SHVIGWZEOSXXOP-IMFGXOCKSA-N 2 1 331.504 1.799 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000634724551 451505802 /nfs/dbraw/zinc/50/58/02/451505802.db2.gz SHVIGWZEOSXXOP-IMFGXOCKSA-N 2 1 331.504 1.799 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)[C@@H]1CCC[NH3+] ZINC000638423166 451506742 /nfs/dbraw/zinc/50/67/42/451506742.db2.gz PXEAKJCHANSLOS-NZSAHSFTSA-N 2 1 346.519 1.812 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)[C@@H]1CCC[NH3+] ZINC000638423166 451506750 /nfs/dbraw/zinc/50/67/50/451506750.db2.gz PXEAKJCHANSLOS-NZSAHSFTSA-N 2 1 346.519 1.812 20 0 EDADMP O=c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c[nH]1 ZINC000631077515 451571267 /nfs/dbraw/zinc/57/12/67/451571267.db2.gz GMFGCRZRYWSVPW-QZTJIDSGSA-N 2 1 327.428 1.760 20 0 EDADMP O=c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c[nH]1 ZINC000631077515 451571270 /nfs/dbraw/zinc/57/12/70/451571270.db2.gz GMFGCRZRYWSVPW-QZTJIDSGSA-N 2 1 327.428 1.760 20 0 EDADMP CC(C)O[C@@H](C[NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000638551409 451573008 /nfs/dbraw/zinc/57/30/08/451573008.db2.gz NDZXOKIONQKFEH-SFHVURJKSA-N 2 1 333.476 1.906 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000638572462 451583701 /nfs/dbraw/zinc/58/37/01/451583701.db2.gz MATBNHJJTDDWAK-DLBZAZTESA-N 2 1 348.466 1.838 20 0 EDADMP CCCCNc1cc(C)[nH+]c(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000631119222 451594456 /nfs/dbraw/zinc/59/44/56/451594456.db2.gz NCMINKFFXBQBAR-QGZVFWFLSA-N 2 1 346.523 2.213 20 0 EDADMP CCCCNc1cc(C)[nH+]c(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000631119222 451594462 /nfs/dbraw/zinc/59/44/62/451594462.db2.gz NCMINKFFXBQBAR-QGZVFWFLSA-N 2 1 346.523 2.213 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[N@H+]1C1CC1 ZINC000636907000 451597287 /nfs/dbraw/zinc/59/72/87/451597287.db2.gz HJBUIHMDFZYLJZ-UONOGXRCSA-N 2 1 346.479 1.897 20 0 EDADMP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000638618166 451611255 /nfs/dbraw/zinc/61/12/55/451611255.db2.gz LKERQKJBXXVHGT-DOTOQJQBSA-N 2 1 335.423 1.142 20 0 EDADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCNC(=O)CC2)c2cccs2)CC1 ZINC000634949540 451619424 /nfs/dbraw/zinc/61/94/24/451619424.db2.gz UEUKQCSTTLGPLB-CABCVRRESA-N 2 1 336.505 1.295 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)CCOCC[NH3+])cc2)C[C@@H](C)O1 ZINC000638675438 451646145 /nfs/dbraw/zinc/64/61/45/451646145.db2.gz GDSCHFXCXQEJBZ-HZPDHXFCSA-N 2 1 349.475 1.343 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638834526 451705452 /nfs/dbraw/zinc/70/54/52/451705452.db2.gz HDAWNXHYHVOCIF-HYJFEMIMSA-N 2 1 327.472 1.870 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638837062 451706334 /nfs/dbraw/zinc/70/63/34/451706334.db2.gz XMDBEVOMUWSAGJ-QRQLOZEOSA-N 2 1 345.487 1.639 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000638858237 451713077 /nfs/dbraw/zinc/71/30/77/451713077.db2.gz ZHIBOGBNEZHWJI-LBKNJMOBSA-N 2 1 345.487 1.638 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC[N@H+]1CCOC ZINC000641032226 451735799 /nfs/dbraw/zinc/73/57/99/451735799.db2.gz HCPYBFGJLMIXJN-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000637138550 451738765 /nfs/dbraw/zinc/73/87/65/451738765.db2.gz QLGAKEUYQLRYTD-BQFCYCMXSA-N 2 1 348.491 1.352 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H]([NH3+])C[C@H]3C)cc2F)CC1 ZINC000638933383 451739445 /nfs/dbraw/zinc/73/94/45/451739445.db2.gz BUCUNYUSWRKKGC-UKRRQHHQSA-N 2 1 334.439 1.529 20 0 EDADMP O=C(N[C@H]1CCC[NH2+]CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000641044517 451740227 /nfs/dbraw/zinc/74/02/27/451740227.db2.gz XETYRMBYIOODGL-OTWHNJEPSA-N 2 1 342.487 1.902 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000638949081 451741947 /nfs/dbraw/zinc/74/19/47/451741947.db2.gz XDYYTCWOLIOLOM-KBAYOESNSA-N 2 1 330.476 1.927 20 0 EDADMP C[C@@H](c1nc2ccccc2o1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641131379 451757578 /nfs/dbraw/zinc/75/75/78/451757578.db2.gz XYCWWCWACNIKLI-ZDUSSCGKSA-N 2 1 340.431 1.994 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641214289 451783930 /nfs/dbraw/zinc/78/39/30/451783930.db2.gz CAZVWCOCNUQOLP-IEBWSBKVSA-N 2 1 343.475 1.313 20 0 EDADMP O[C@]1(Cn2cc(C3CC[NH2+]CC3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641229647 451791371 /nfs/dbraw/zinc/79/13/71/451791371.db2.gz LHQPBZDNJHEYLN-LJQANCHMSA-N 2 1 341.459 1.382 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000637379470 451813520 /nfs/dbraw/zinc/81/35/20/451813520.db2.gz PMUMIVVSNKWKII-MSOLQXFVSA-N 2 1 330.476 1.649 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000637379470 451813527 /nfs/dbraw/zinc/81/35/27/451813527.db2.gz PMUMIVVSNKWKII-MSOLQXFVSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000637379470 451813532 /nfs/dbraw/zinc/81/35/32/451813532.db2.gz PMUMIVVSNKWKII-MSOLQXFVSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000637379470 451813537 /nfs/dbraw/zinc/81/35/37/451813537.db2.gz PMUMIVVSNKWKII-MSOLQXFVSA-N 2 1 330.476 1.649 20 0 EDADMP CO[C@@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCOCC1 ZINC000639310580 451820296 /nfs/dbraw/zinc/82/02/96/451820296.db2.gz XWZUDIFUXROJFN-PMACEKPBSA-N 2 1 348.487 1.784 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H](n2cccn2)C(F)(F)F)CC1 ZINC000639345271 451837463 /nfs/dbraw/zinc/83/74/63/451837463.db2.gz GBWBRXWLHWNHQM-CYBMUJFWSA-N 2 1 334.386 1.811 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000649102069 451845538 /nfs/dbraw/zinc/84/55/38/451845538.db2.gz SYBSSMQNFAFFJT-QRQLOZEOSA-N 2 1 344.503 1.084 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000649102069 451845546 /nfs/dbraw/zinc/84/55/46/451845546.db2.gz SYBSSMQNFAFFJT-QRQLOZEOSA-N 2 1 344.503 1.084 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)CC2)nc(C)n1 ZINC000644585093 451879035 /nfs/dbraw/zinc/87/90/35/451879035.db2.gz GDJMMSAFYMZEJY-KRWDZBQOSA-N 2 1 333.480 1.107 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@H](O)C[N@H+](C)C3CC3)CC2)nc(C)n1 ZINC000644585093 451879041 /nfs/dbraw/zinc/87/90/41/451879041.db2.gz GDJMMSAFYMZEJY-KRWDZBQOSA-N 2 1 333.480 1.107 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642645416 451906795 /nfs/dbraw/zinc/90/67/95/451906795.db2.gz JZZROJODAJJALO-JKSUJKDBSA-N 2 1 338.496 1.016 20 0 EDADMP CC(=O)N1CC[C@@H](C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639546091 451936260 /nfs/dbraw/zinc/93/62/60/451936260.db2.gz BSZSQKHVIBXWAP-PMACEKPBSA-N 2 1 345.487 1.424 20 0 EDADMP CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639546091 451936265 /nfs/dbraw/zinc/93/62/65/451936265.db2.gz BSZSQKHVIBXWAP-PMACEKPBSA-N 2 1 345.487 1.424 20 0 EDADMP CC(=O)N1CC[C@@H](C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639546091 451936271 /nfs/dbraw/zinc/93/62/71/451936271.db2.gz BSZSQKHVIBXWAP-PMACEKPBSA-N 2 1 345.487 1.424 20 0 EDADMP CC(=O)N1CC[C@@H](C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639546091 451936275 /nfs/dbraw/zinc/93/62/75/451936275.db2.gz BSZSQKHVIBXWAP-PMACEKPBSA-N 2 1 345.487 1.424 20 0 EDADMP CC(=O)N1CC[C@@H](C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639546091 451936281 /nfs/dbraw/zinc/93/62/81/451936281.db2.gz BSZSQKHVIBXWAP-PMACEKPBSA-N 2 1 345.487 1.424 20 0 EDADMP CN(CC[N@H+](C)C[C@@H]1COc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000639549870 451940592 /nfs/dbraw/zinc/94/05/92/451940592.db2.gz ILPKLSIZEOUJIN-QGZVFWFLSA-N 2 1 333.476 1.784 20 0 EDADMP CN(CC[N@@H+](C)C[C@@H]1COc2ccccc2O1)C1CC[NH+](C)CC1 ZINC000639549870 451940600 /nfs/dbraw/zinc/94/06/00/451940600.db2.gz ILPKLSIZEOUJIN-QGZVFWFLSA-N 2 1 333.476 1.784 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000639554693 451943271 /nfs/dbraw/zinc/94/32/71/451943271.db2.gz LUEZQPYKXHKFCZ-QGZVFWFLSA-N 2 1 335.496 1.836 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)[C@@H](C)C1 ZINC000639589606 451960427 /nfs/dbraw/zinc/96/04/27/451960427.db2.gz POKRCUPZCBCQOM-SZMVWBNQSA-N 2 1 337.508 1.866 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)[C@@H](C)C1 ZINC000639589606 451960437 /nfs/dbraw/zinc/96/04/37/451960437.db2.gz POKRCUPZCBCQOM-SZMVWBNQSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(N)CC[NH+](C)C3)cc2)C1 ZINC000649288284 451962345 /nfs/dbraw/zinc/96/23/45/451962345.db2.gz ICYCIYOEOWREMQ-DNVCBOLYSA-N 2 1 330.476 1.890 20 0 EDADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@]3(N)CC[N@H+](C)C3)cc2)C1 ZINC000649288284 451962350 /nfs/dbraw/zinc/96/23/50/451962350.db2.gz ICYCIYOEOWREMQ-DNVCBOLYSA-N 2 1 330.476 1.890 20 0 EDADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@]3(N)CC[N@@H+](C)C3)cc2)C1 ZINC000649288284 451962355 /nfs/dbraw/zinc/96/23/55/451962355.db2.gz ICYCIYOEOWREMQ-DNVCBOLYSA-N 2 1 330.476 1.890 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649294775 451970989 /nfs/dbraw/zinc/97/09/89/451970989.db2.gz BAFXLTWBDJXBFX-CABCVRRESA-N 2 1 334.468 1.197 20 0 EDADMP CCCn1ccnc1CCC[N@@H+](C)C[C@@H](O)CC1(O)CCOCC1 ZINC000639611580 451974774 /nfs/dbraw/zinc/97/47/74/451974774.db2.gz BNOHQWRYXLAOFF-INIZCTEOSA-N 2 1 339.480 1.450 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)CC1(O)CCOCC1 ZINC000639611580 451974780 /nfs/dbraw/zinc/97/47/80/451974780.db2.gz BNOHQWRYXLAOFF-INIZCTEOSA-N 2 1 339.480 1.450 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)CC1(O)CCOCC1 ZINC000639611580 451974784 /nfs/dbraw/zinc/97/47/84/451974784.db2.gz BNOHQWRYXLAOFF-INIZCTEOSA-N 2 1 339.480 1.450 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)CCC[NH2+]1 ZINC000649299391 451976637 /nfs/dbraw/zinc/97/66/37/451976637.db2.gz PJMLIHFMBULCIQ-DYVFJYSZSA-N 2 1 337.489 1.380 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CCC[NH2+]1 ZINC000649299391 451976644 /nfs/dbraw/zinc/97/66/44/451976644.db2.gz PJMLIHFMBULCIQ-DYVFJYSZSA-N 2 1 337.489 1.380 20 0 EDADMP Cn1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c([C@H]2CCC[NH2+]C2)n1 ZINC000649326544 452006415 /nfs/dbraw/zinc/00/64/15/452006415.db2.gz BJHXVSSOXRVBAD-USXIJHARSA-N 2 1 345.491 1.586 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637668255 452010002 /nfs/dbraw/zinc/01/00/02/452010002.db2.gz YSNJIRXQEZMIDK-PBHICJAKSA-N 2 1 348.495 1.954 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649345137 452027367 /nfs/dbraw/zinc/02/73/67/452027367.db2.gz MNMMWGFEPGKACJ-MOPGFXCFSA-N 2 1 345.487 1.593 20 0 EDADMP [NH3+]C1(Cc2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)CCC1 ZINC000647120866 452076002 /nfs/dbraw/zinc/07/60/02/452076002.db2.gz BFJHMAGWYCXDDI-UHFFFAOYSA-N 2 1 328.416 1.993 20 0 EDADMP C[C@@H](CO)C1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639733983 452078275 /nfs/dbraw/zinc/07/82/75/452078275.db2.gz WQIKJFGSWQFEMI-PXNSSMCTSA-N 2 1 332.488 1.964 20 0 EDADMP C[C@@H](CO)C1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639733983 452078280 /nfs/dbraw/zinc/07/82/80/452078280.db2.gz WQIKJFGSWQFEMI-PXNSSMCTSA-N 2 1 332.488 1.964 20 0 EDADMP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)C2=O)n1 ZINC000649418265 452080085 /nfs/dbraw/zinc/08/00/85/452080085.db2.gz RFNBRNUZZUCHIE-BBWFWOEESA-N 2 1 345.491 1.627 20 0 EDADMP COC[C@H](C)[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000643230280 452084911 /nfs/dbraw/zinc/08/49/11/452084911.db2.gz GLUHXBIIRYERSJ-UXLLHSPISA-N 2 1 325.497 1.532 20 0 EDADMP COC[C@H](C)[C@@H](C)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643230280 452084914 /nfs/dbraw/zinc/08/49/14/452084914.db2.gz GLUHXBIIRYERSJ-UXLLHSPISA-N 2 1 325.497 1.532 20 0 EDADMP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000637801096 452090315 /nfs/dbraw/zinc/09/03/15/452090315.db2.gz IBXVWDSMFUXGIP-AOIWGVFYSA-N 2 1 329.444 1.085 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)C1 ZINC000645095060 452149301 /nfs/dbraw/zinc/14/93/01/452149301.db2.gz VDZAHKRYCRTDCU-MOPGFXCFSA-N 2 1 335.467 1.441 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)C1 ZINC000645095060 452149306 /nfs/dbraw/zinc/14/93/06/452149306.db2.gz VDZAHKRYCRTDCU-MOPGFXCFSA-N 2 1 335.467 1.441 20 0 EDADMP C[C@H]1CN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000637899976 452151000 /nfs/dbraw/zinc/15/10/00/452151000.db2.gz UYGIBHQIBIXTGZ-INIZCTEOSA-N 2 1 331.460 1.617 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](c3nnc(N)o3)C2)CC1 ZINC000639822421 452157635 /nfs/dbraw/zinc/15/76/35/452157635.db2.gz OTCIROJIEXLBKH-OAHLLOKOSA-N 2 1 336.484 1.247 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000643373682 452160297 /nfs/dbraw/zinc/16/02/97/452160297.db2.gz KCRMOCZMIGPOLF-NZSAHSFTSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000643373682 452160300 /nfs/dbraw/zinc/16/03/00/452160300.db2.gz KCRMOCZMIGPOLF-NZSAHSFTSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000643373681 452160479 /nfs/dbraw/zinc/16/04/79/452160479.db2.gz KCRMOCZMIGPOLF-NEWSRXKRSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000643373681 452160485 /nfs/dbraw/zinc/16/04/85/452160485.db2.gz KCRMOCZMIGPOLF-NEWSRXKRSA-N 2 1 345.487 1.612 20 0 EDADMP c1cc2c(cc[nH+]c2N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)[nH]1 ZINC000641717470 452216256 /nfs/dbraw/zinc/21/62/56/452216256.db2.gz BTIVKXUFCOUMJX-HNNXBMFYSA-N 2 1 329.448 1.771 20 0 EDADMP c1ccc2c(N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)cc[nH+]c2c1 ZINC000641719421 452218228 /nfs/dbraw/zinc/21/82/28/452218228.db2.gz QWDNURWIOWUFBR-QGZVFWFLSA-N 2 1 340.471 1.865 20 0 EDADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647549580 452277818 /nfs/dbraw/zinc/27/78/18/452277818.db2.gz IPGCJGOWPQTJCB-YSIASYRMSA-N 3 1 329.488 1.997 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)CC2 ZINC000641802647 452277905 /nfs/dbraw/zinc/27/79/05/452277905.db2.gz AHNYVLDUVCWCLT-SJORKVTESA-N 2 1 347.459 1.304 20 0 EDADMP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641806365 452286196 /nfs/dbraw/zinc/28/61/96/452286196.db2.gz QZRCWZCKIJDMMR-ZNMIVQPWSA-N 2 1 346.475 1.462 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCO)CC1 ZINC000661495492 452297124 /nfs/dbraw/zinc/29/71/24/452297124.db2.gz VRKZINRDNMWPAU-NVXWUHKLSA-N 2 1 325.497 1.458 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000659460629 452314412 /nfs/dbraw/zinc/31/44/12/452314412.db2.gz ZOSROHJGIBWWPB-JKSUJKDBSA-N 2 1 333.480 1.104 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000641833154 452315026 /nfs/dbraw/zinc/31/50/26/452315026.db2.gz DINSODQNAHNMAK-KFWWJZLASA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CCN(C)C(C)(C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000641833154 452315030 /nfs/dbraw/zinc/31/50/30/452315030.db2.gz DINSODQNAHNMAK-KFWWJZLASA-N 2 1 326.485 1.220 20 0 EDADMP CC(C)(CNC(=O)Cc1cccc2c1CC[NH2+]C2)[NH+]1CCOCC1 ZINC000638048425 452318390 /nfs/dbraw/zinc/31/83/90/452318390.db2.gz CXLCZERGTUTCNS-UHFFFAOYSA-N 2 1 331.460 1.102 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)[C@]3(C[NH3+])CCCOC3)CC2)c1 ZINC000638051289 452322675 /nfs/dbraw/zinc/32/26/75/452322675.db2.gz DXPSAGNRTCFCPD-IBGZPJMESA-N 2 1 331.460 1.395 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638051635 452322827 /nfs/dbraw/zinc/32/28/27/452322827.db2.gz NAPGMYUTSVSDLK-GOSISDBHSA-N 2 1 332.492 1.246 20 0 EDADMP C[C@@H](O)C[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665760643 452329840 /nfs/dbraw/zinc/32/98/40/452329840.db2.gz MBUADKMPADTIAT-XHSDSOJGSA-N 2 1 328.501 1.203 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC/C=C/C[NH3+] ZINC000641865086 452331836 /nfs/dbraw/zinc/33/18/36/452331836.db2.gz OYEZRTQZKOSOAE-REMYHPOOSA-N 2 1 331.464 1.592 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCS1 ZINC000665759750 452332698 /nfs/dbraw/zinc/33/26/98/452332698.db2.gz OFAWVJZJAMKXJM-GJZGRUSLSA-N 2 1 330.542 1.795 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCS1 ZINC000665759750 452332708 /nfs/dbraw/zinc/33/27/08/452332708.db2.gz OFAWVJZJAMKXJM-GJZGRUSLSA-N 2 1 330.542 1.795 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000659481448 452340644 /nfs/dbraw/zinc/34/06/44/452340644.db2.gz YXJPOXGVHAOHHZ-ZWKOTPCHSA-N 2 1 348.491 1.426 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](CCO)CC1 ZINC000665763507 452343505 /nfs/dbraw/zinc/34/35/05/452343505.db2.gz CSGHLWHTCWUOQF-IRXDYDNUSA-N 2 1 342.528 1.453 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](CCO)CC1 ZINC000665763507 452343512 /nfs/dbraw/zinc/34/35/12/452343512.db2.gz CSGHLWHTCWUOQF-IRXDYDNUSA-N 2 1 342.528 1.453 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652151090 452344277 /nfs/dbraw/zinc/34/42/77/452344277.db2.gz IQAZLRIJLJBQJR-BBWFWOEESA-N 2 1 340.512 1.646 20 0 EDADMP CC[NH2+][C@H](C)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000638062024 452353831 /nfs/dbraw/zinc/35/38/31/452353831.db2.gz CEPCENYQYUIBDZ-OWCLPIDISA-N 2 1 333.476 1.910 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000638062027 452354702 /nfs/dbraw/zinc/35/47/02/452354702.db2.gz CEPCENYQYUIBDZ-XHSDSOJGSA-N 2 1 333.476 1.910 20 0 EDADMP O=C(NCCC1CC[NH2+]CC1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000652169446 452362738 /nfs/dbraw/zinc/36/27/38/452362738.db2.gz BGVGVLNEXMRRBS-DLBZAZTESA-N 2 1 338.496 1.319 20 0 EDADMP CC[NH2+]CCCNC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659506245 452372119 /nfs/dbraw/zinc/37/21/19/452372119.db2.gz ZPOYKDQQICUPOW-GOSISDBHSA-N 2 1 347.507 1.101 20 0 EDADMP CC[NH2+]CCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659506245 452372127 /nfs/dbraw/zinc/37/21/27/452372127.db2.gz ZPOYKDQQICUPOW-GOSISDBHSA-N 2 1 347.507 1.101 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000652182753 452377337 /nfs/dbraw/zinc/37/73/37/452377337.db2.gz AXDUHAGFRSKAFH-MRXNPFEDSA-N 2 1 348.491 1.706 20 0 EDADMP O=C1CC[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC[C@@H]2N1 ZINC000661595776 452399242 /nfs/dbraw/zinc/39/92/42/452399242.db2.gz DXLBWMYRWQDHFZ-MOPGFXCFSA-N 2 1 343.471 1.619 20 0 EDADMP O=C1CC[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC[C@@H]2N1 ZINC000661595776 452399252 /nfs/dbraw/zinc/39/92/52/452399252.db2.gz DXLBWMYRWQDHFZ-MOPGFXCFSA-N 2 1 343.471 1.619 20 0 EDADMP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000652202375 452401360 /nfs/dbraw/zinc/40/13/60/452401360.db2.gz IRUUSSAKBOIZLD-WDSOQIARSA-N 2 1 344.503 1.943 20 0 EDADMP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000652202375 452401369 /nfs/dbraw/zinc/40/13/69/452401369.db2.gz IRUUSSAKBOIZLD-WDSOQIARSA-N 2 1 344.503 1.943 20 0 EDADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000647707872 452440233 /nfs/dbraw/zinc/44/02/33/452440233.db2.gz FTCHUOYZRXCZIA-OTWHNJEPSA-N 2 1 345.487 1.737 20 0 EDADMP [NH3+]Cc1ccc(CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c(F)c1 ZINC000652268802 452457402 /nfs/dbraw/zinc/45/74/02/452457402.db2.gz MCYOZLPOLVQMKY-KRWDZBQOSA-N 2 1 343.406 1.536 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652274874 452462338 /nfs/dbraw/zinc/46/23/38/452462338.db2.gz XTACEMKPDXFKBF-NVXWUHKLSA-N 2 1 334.439 1.910 20 0 EDADMP c1ncn(-c2ccccc2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000657750189 452496957 /nfs/dbraw/zinc/49/69/57/452496957.db2.gz CNSUUNCEBJUITG-KRWDZBQOSA-N 2 1 327.432 1.610 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@]2(O)CCCOC2)[C@@H](C)C1 ZINC000652324549 452498596 /nfs/dbraw/zinc/49/85/96/452498596.db2.gz DWIKJHKMOACFPT-BZSNNMDCSA-N 2 1 328.497 1.645 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000652336016 452505810 /nfs/dbraw/zinc/50/58/10/452505810.db2.gz YKMYOQQGROTMTG-HIFRSBDPSA-N 2 1 337.489 1.687 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000652336016 452505819 /nfs/dbraw/zinc/50/58/19/452505819.db2.gz YKMYOQQGROTMTG-HIFRSBDPSA-N 2 1 337.489 1.687 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(=O)n4ccccc4n3)C2)C1 ZINC000652345517 452519142 /nfs/dbraw/zinc/51/91/42/452519142.db2.gz DEWNSJRXWDERDJ-BFYDXBDKSA-N 2 1 342.443 1.413 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458108 452521606 /nfs/dbraw/zinc/52/16/06/452521606.db2.gz FBXYIHFHPCYEJM-SUJAAXHWSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458108 452521616 /nfs/dbraw/zinc/52/16/16/452521616.db2.gz FBXYIHFHPCYEJM-SUJAAXHWSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458108 452521624 /nfs/dbraw/zinc/52/16/24/452521624.db2.gz FBXYIHFHPCYEJM-SUJAAXHWSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458108 452521635 /nfs/dbraw/zinc/52/16/35/452521635.db2.gz FBXYIHFHPCYEJM-SUJAAXHWSA-N 2 1 326.485 1.266 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346761 452523266 /nfs/dbraw/zinc/52/32/66/452523266.db2.gz HEJYZDSGBKSBCC-MWDXBVQZSA-N 2 1 341.496 1.136 20 0 EDADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CN1CCOCC1 ZINC000655725832 452539328 /nfs/dbraw/zinc/53/93/28/452539328.db2.gz MZMWLXHKYLSCDC-SJLPKXTDSA-N 2 1 325.497 1.188 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000659681465 452554149 /nfs/dbraw/zinc/55/41/49/452554149.db2.gz WMHQPRVLJLVESG-QGZVFWFLSA-N 2 1 348.491 1.244 20 0 EDADMP Cc1cc(C)cc(OCC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000647824829 452559076 /nfs/dbraw/zinc/55/90/76/452559076.db2.gz VTGIBMBAJMQFDF-SFHVURJKSA-N 2 1 345.487 1.826 20 0 EDADMP O=C(N[C@@H]1CCN(c2ccccn2)C1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654506154 452581757 /nfs/dbraw/zinc/58/17/57/452581757.db2.gz PCXQGPAHOLRCKE-ZACQAIPSSA-N 2 1 343.475 1.976 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCOC)C3CC3)CC2)CC1 ZINC000654529059 452609415 /nfs/dbraw/zinc/60/94/15/452609415.db2.gz CPSKKXRBYFBLGN-UHFFFAOYSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000652522733 452722838 /nfs/dbraw/zinc/72/28/38/452722838.db2.gz UYOWAMHVTOIHSV-UHFFFAOYSA-N 2 1 347.507 1.541 20 0 EDADMP CCCCOCCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978576 452723163 /nfs/dbraw/zinc/72/31/63/452723163.db2.gz VAFNHXDAYVSJHV-DLBZAZTESA-N 2 1 325.497 1.631 20 0 EDADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000661976001 452729933 /nfs/dbraw/zinc/72/99/33/452729933.db2.gz QOBYYELFZQGXTM-BRWVUGGUSA-N 2 1 336.480 1.166 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655959579 452742168 /nfs/dbraw/zinc/74/21/68/452742168.db2.gz UUFRTINCQNIFEY-SJORKVTESA-N 2 1 344.459 1.478 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970251 452753087 /nfs/dbraw/zinc/75/30/87/452753087.db2.gz FWLBFIATPJASML-LVQVYYBASA-N 2 1 326.485 1.255 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970251 452753092 /nfs/dbraw/zinc/75/30/92/452753092.db2.gz FWLBFIATPJASML-LVQVYYBASA-N 2 1 326.485 1.255 20 0 EDADMP Cc1ccc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000664077508 452770213 /nfs/dbraw/zinc/77/02/13/452770213.db2.gz HHKQZXXSLOPXQK-INIZCTEOSA-N 2 1 335.496 1.504 20 0 EDADMP Cc1ccc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000664077508 452770222 /nfs/dbraw/zinc/77/02/22/452770222.db2.gz HHKQZXXSLOPXQK-INIZCTEOSA-N 2 1 335.496 1.504 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCCN(C)CCC[NH+](C)C ZINC000664078213 452772987 /nfs/dbraw/zinc/77/29/87/452772987.db2.gz YEEQDXQHTVXDTN-INIZCTEOSA-N 2 1 327.517 1.044 20 0 EDADMP O=C(C[N@H+]1CCC2(COC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000662075643 452820276 /nfs/dbraw/zinc/82/02/76/452820276.db2.gz HNAOQMPFTFQLNY-UHFFFAOYSA-N 2 1 343.471 1.621 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000650582715 452852715 /nfs/dbraw/zinc/85/27/15/452852715.db2.gz DIDYLHYRSXCDPL-QGZVFWFLSA-N 2 1 342.528 1.620 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000650582715 452852726 /nfs/dbraw/zinc/85/27/26/452852726.db2.gz DIDYLHYRSXCDPL-QGZVFWFLSA-N 2 1 342.528 1.620 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000650582715 452852743 /nfs/dbraw/zinc/85/27/43/452852743.db2.gz DIDYLHYRSXCDPL-QGZVFWFLSA-N 2 1 342.528 1.620 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000662142856 452879308 /nfs/dbraw/zinc/87/93/08/452879308.db2.gz OWKYEZMFTOHJMN-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000662142856 452879316 /nfs/dbraw/zinc/87/93/16/452879316.db2.gz OWKYEZMFTOHJMN-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000662142856 452879327 /nfs/dbraw/zinc/87/93/27/452879327.db2.gz OWKYEZMFTOHJMN-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)nc(C)[nH+]1 ZINC000654762767 452892539 /nfs/dbraw/zinc/89/25/39/452892539.db2.gz RJJSKXJZQNZWNC-XJKSGUPXSA-N 2 1 331.464 1.520 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc(C)[nH+]1 ZINC000654762767 452892548 /nfs/dbraw/zinc/89/25/48/452892548.db2.gz RJJSKXJZQNZWNC-XJKSGUPXSA-N 2 1 331.464 1.520 20 0 EDADMP CN1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000650720268 452950564 /nfs/dbraw/zinc/95/05/64/452950564.db2.gz KDPVPSIERFPWIW-RBUKOAKNSA-N 2 1 344.503 1.042 20 0 EDADMP COc1cc2[nH+]ccc(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)c2cc1OC ZINC000656218696 452968210 /nfs/dbraw/zinc/96/82/10/452968210.db2.gz GGGYVVGYVXSMOT-QWHCGFSZSA-N 2 1 329.400 1.507 20 0 EDADMP CC[C@H](C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C ZINC000652813722 452972659 /nfs/dbraw/zinc/97/26/59/452972659.db2.gz KBMASEZRIVDDJA-CEXWTWQISA-N 2 1 345.487 1.829 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1)c1ccccc1 ZINC000662256928 452986377 /nfs/dbraw/zinc/98/63/77/452986377.db2.gz KCNVIXYWJZTUDI-WMZOPIPTSA-N 2 1 343.471 1.649 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)[NH+](C)C)cc1 ZINC000650779480 452990371 /nfs/dbraw/zinc/99/03/71/452990371.db2.gz DVURVWLNQDAQJB-QZTJIDSGSA-N 2 1 346.475 1.058 20 0 EDADMP COc1cc(F)ccc1N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662265907 452995732 /nfs/dbraw/zinc/99/57/32/452995732.db2.gz XDBGTYIHBJYNNI-OAHLLOKOSA-N 2 1 335.423 1.477 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H](C)c1ccncc1 ZINC000664323213 452998065 /nfs/dbraw/zinc/99/80/65/452998065.db2.gz ARRLGCZQCMNYEI-CVEARBPZSA-N 2 1 335.496 1.756 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H](C)c1ccncc1 ZINC000664323213 452998071 /nfs/dbraw/zinc/99/80/71/452998071.db2.gz ARRLGCZQCMNYEI-CVEARBPZSA-N 2 1 335.496 1.756 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000646002750 452999357 /nfs/dbraw/zinc/99/93/57/452999357.db2.gz BPPCCBFCKSNWER-MOPGFXCFSA-N 2 1 344.503 1.705 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662279345 453004430 /nfs/dbraw/zinc/00/44/30/453004430.db2.gz RXNCFFLQFVXVTD-GOSISDBHSA-N 3 1 339.524 1.578 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)nn1 ZINC000662281762 453007223 /nfs/dbraw/zinc/00/72/23/453007223.db2.gz LRYRVRFMTYHEAO-QGZVFWFLSA-N 3 1 326.448 1.220 20 0 EDADMP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662284997 453009174 /nfs/dbraw/zinc/00/91/74/453009174.db2.gz TVPITGDEIFWLMG-LBPRGKRZSA-N 2 1 326.343 1.961 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000662287416 453011173 /nfs/dbraw/zinc/01/11/73/453011173.db2.gz ZOEBEHORWUEGMD-XJKSGUPXSA-N 2 1 325.478 1.544 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CC1 ZINC000662313302 453030928 /nfs/dbraw/zinc/03/09/28/453030928.db2.gz JYNGMQYQCVHLSG-QRQLOZEOSA-N 2 1 335.492 1.432 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CC1 ZINC000662313302 453030935 /nfs/dbraw/zinc/03/09/35/453030935.db2.gz JYNGMQYQCVHLSG-QRQLOZEOSA-N 2 1 335.492 1.432 20 0 EDADMP C[C@@H](NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C(C)(C)C[NH+](C)C ZINC000664372577 453043507 /nfs/dbraw/zinc/04/35/07/453043507.db2.gz ZKMCJACUPBKDKE-ZBFHGGJFSA-N 2 1 340.512 1.203 20 0 EDADMP C[NH+]1CCC(NC(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662355812 453070364 /nfs/dbraw/zinc/07/03/64/453070364.db2.gz FLADUXUBBNKIBR-UHFFFAOYSA-N 2 1 344.278 1.938 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000650873268 453073737 /nfs/dbraw/zinc/07/37/37/453073737.db2.gz SFSIOLMKVFATNM-UHFFFAOYSA-N 2 1 328.501 1.374 20 0 EDADMP C[C@H]1CN(c2ccccc2F)CC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666699067 453077593 /nfs/dbraw/zinc/07/75/93/453077593.db2.gz IWOQOVXHXRJPLM-JKSUJKDBSA-N 2 1 348.466 1.534 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)C1 ZINC000666701989 453079140 /nfs/dbraw/zinc/07/91/40/453079140.db2.gz WJIXYOYPVZYRGG-PBHICJAKSA-N 2 1 335.423 1.476 20 0 EDADMP C[C@@H](C[C@@H]1CCOC1)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664421877 453082210 /nfs/dbraw/zinc/08/22/10/453082210.db2.gz QPUYWOPAFXQPBW-JYJNAYRXSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H](C[C@@H]1CCOC1)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664421877 453082218 /nfs/dbraw/zinc/08/22/18/453082218.db2.gz QPUYWOPAFXQPBW-JYJNAYRXSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662401815 453113076 /nfs/dbraw/zinc/11/30/76/453113076.db2.gz BNVMSPMCFZFRGI-KGLIPLIRSA-N 2 1 333.480 1.727 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000662407899 453117846 /nfs/dbraw/zinc/11/78/46/453117846.db2.gz MAJKYODODRCZJR-LBPRGKRZSA-N 2 1 325.375 1.098 20 0 EDADMP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000656381178 453151812 /nfs/dbraw/zinc/15/18/12/453151812.db2.gz VKGNBGQCCZNYTE-DLBZAZTESA-N 2 1 338.496 1.225 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000656381178 453151819 /nfs/dbraw/zinc/15/18/19/453151819.db2.gz VKGNBGQCCZNYTE-DLBZAZTESA-N 2 1 338.496 1.225 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662450177 453158099 /nfs/dbraw/zinc/15/80/99/453158099.db2.gz JFAOHORSQQMAJN-QGZVFWFLSA-N 2 1 342.487 1.532 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC[C@@H]21 ZINC000662502072 453217755 /nfs/dbraw/zinc/21/77/55/453217755.db2.gz HNQBXEDNMNJQNG-ZBFHGGJFSA-N 2 1 332.448 1.698 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000666892480 453219162 /nfs/dbraw/zinc/21/91/62/453219162.db2.gz PKRFPHKGTIGKIW-HZPDHXFCSA-N 2 1 326.444 1.804 20 0 EDADMP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000662505499 453221849 /nfs/dbraw/zinc/22/18/49/453221849.db2.gz MSEVAKWQSXVPBV-CPUCHLNUSA-N 2 1 343.475 1.576 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000666906484 453228700 /nfs/dbraw/zinc/22/87/00/453228700.db2.gz JIZOWQSTURKCJN-QGZVFWFLSA-N 2 1 346.475 1.825 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(C[NH3+])c3)CC[C@@H]21 ZINC000666906765 453230222 /nfs/dbraw/zinc/23/02/22/453230222.db2.gz AIDFETAVAQQKQX-HOCLYGCPSA-N 2 1 330.432 1.027 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)CC(C)(C)O)CC2)CC1 ZINC000655125558 453241206 /nfs/dbraw/zinc/24/12/06/453241206.db2.gz ODAILUBGJMWSLD-HNNXBMFYSA-N 2 1 339.524 1.848 20 0 EDADMP [NH3+][C@@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Br ZINC000662556280 453286587 /nfs/dbraw/zinc/28/65/87/453286587.db2.gz OJOJJBNIWKBQGT-GBIKHYSHSA-N 2 1 326.238 1.835 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc2)C1 ZINC000653108952 453293448 /nfs/dbraw/zinc/29/34/48/453293448.db2.gz NHMJZYIPFZHGBS-QFBILLFUSA-N 2 1 346.519 1.814 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000653112856 453300309 /nfs/dbraw/zinc/30/03/09/453300309.db2.gz LEGGVYNAKNUQKL-ROUUACIJSA-N 2 1 332.492 1.294 20 0 EDADMP C[C@@H](c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1)[NH+]1CCOCC1 ZINC000653117717 453306400 /nfs/dbraw/zinc/30/64/00/453306400.db2.gz UMHIAFPSDVJBGC-QOKNQOGYSA-N 2 1 345.443 1.254 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653122823 453314944 /nfs/dbraw/zinc/31/49/44/453314944.db2.gz FLODUXUIECZXOW-OALUTQOASA-N 2 1 346.519 1.636 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000662593687 453320892 /nfs/dbraw/zinc/32/08/92/453320892.db2.gz QAPVQYDXQIKJBX-NXEZDXNNSA-N 2 1 337.508 1.756 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](C[C@@H](C)O)C[C@H]1C ZINC000651195234 453345776 /nfs/dbraw/zinc/34/57/76/453345776.db2.gz GBIFLGNJCLTVSA-HZPDHXFCSA-N 2 1 328.501 1.061 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000651195234 453345786 /nfs/dbraw/zinc/34/57/86/453345786.db2.gz GBIFLGNJCLTVSA-HZPDHXFCSA-N 2 1 328.501 1.061 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000651195234 453345795 /nfs/dbraw/zinc/34/57/95/453345795.db2.gz GBIFLGNJCLTVSA-HZPDHXFCSA-N 2 1 328.501 1.061 20 0 EDADMP CC[NH+](CC)[C@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000646358658 453345928 /nfs/dbraw/zinc/34/59/28/453345928.db2.gz UUAJRBACUZJRRE-IBGZPJMESA-N 2 1 345.487 1.860 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000655241830 453359743 /nfs/dbraw/zinc/35/97/43/453359743.db2.gz SDDJIQBBAMOUIM-OAGGEKHMSA-N 2 1 325.497 1.721 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000655247103 453370554 /nfs/dbraw/zinc/37/05/54/453370554.db2.gz SIKWSUXEHATGCC-ZIFCJYIRSA-N 2 1 331.460 1.080 20 0 EDADMP CCc1ccc(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)nc1 ZINC000667054849 453372607 /nfs/dbraw/zinc/37/26/07/453372607.db2.gz XVZOSLXNSYYJDS-UHFFFAOYSA-N 2 1 339.443 1.972 20 0 EDADMP CC[N@@H+](CCCNC(=O)C1(OC)CC[NH2+]CC1)C1CCCCC1 ZINC000653201020 453392702 /nfs/dbraw/zinc/39/27/02/453392702.db2.gz XDXSBVGQZIPXCM-UHFFFAOYSA-N 2 1 325.497 1.916 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CCSC1 ZINC000662683335 453404994 /nfs/dbraw/zinc/40/49/94/453404994.db2.gz YALHEKOUCKYKCL-ZFWWWQNUSA-N 2 1 329.416 1.518 20 0 EDADMP COc1cc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1OCC[NH+](C)C ZINC000648932459 453409966 /nfs/dbraw/zinc/40/99/66/453409966.db2.gz VPXOCQGOVWPRLV-UKRRQHHQSA-N 2 1 335.448 1.914 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000662699713 453419737 /nfs/dbraw/zinc/41/97/37/453419737.db2.gz ROXWERUCXVDWPJ-INIZCTEOSA-N 2 1 332.448 1.401 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000646484355 453430615 /nfs/dbraw/zinc/43/06/15/453430615.db2.gz PKJDAQPXRHIHGD-BHIYHBOVSA-N 2 1 344.503 1.526 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662711933 453436454 /nfs/dbraw/zinc/43/64/54/453436454.db2.gz CVOGVBXFWGPDHU-ZWKOTPCHSA-N 2 1 345.487 1.769 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662729559 453455040 /nfs/dbraw/zinc/45/50/40/453455040.db2.gz LXIPDWYBFCMDMC-ZWKOTPCHSA-N 2 1 333.476 1.767 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662729559 453455045 /nfs/dbraw/zinc/45/50/45/453455045.db2.gz LXIPDWYBFCMDMC-ZWKOTPCHSA-N 2 1 333.476 1.767 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664921541 453484595 /nfs/dbraw/zinc/48/45/95/453484595.db2.gz ZKXBNFXXOOBLSJ-NVXWUHKLSA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664921541 453484604 /nfs/dbraw/zinc/48/46/04/453484604.db2.gz ZKXBNFXXOOBLSJ-NVXWUHKLSA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664921541 453484608 /nfs/dbraw/zinc/48/46/08/453484608.db2.gz ZKXBNFXXOOBLSJ-NVXWUHKLSA-N 2 1 340.512 1.347 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000662760600 453498405 /nfs/dbraw/zinc/49/84/05/453498405.db2.gz XXZOBABYCMAYJL-QGZVFWFLSA-N 2 1 342.487 1.184 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000660690327 453516438 /nfs/dbraw/zinc/51/64/38/453516438.db2.gz AQIIJDDHASDUFG-KRWDZBQOSA-N 2 1 329.448 1.821 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000660690327 453516442 /nfs/dbraw/zinc/51/64/42/453516442.db2.gz AQIIJDDHASDUFG-KRWDZBQOSA-N 2 1 329.448 1.821 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000660703646 453528585 /nfs/dbraw/zinc/52/85/85/453528585.db2.gz FTQKZAMYWDYELU-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655446117 453533835 /nfs/dbraw/zinc/53/38/35/453533835.db2.gz CUUGORUDENVMHI-AJYBTWMASA-N 2 1 348.535 1.393 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)[N@H+]1CCc2ccccc2C1 ZINC000655446156 453534223 /nfs/dbraw/zinc/53/42/23/453534223.db2.gz FGDNNIKBVASROL-ZTNFWEORSA-N 2 1 327.472 1.939 20 0 EDADMP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000667326870 453558736 /nfs/dbraw/zinc/55/87/36/453558736.db2.gz DHUURXYGFAVGSW-QZTJIDSGSA-N 2 1 330.476 1.854 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(C2CC[NH2+]CC2)no1 ZINC000662834426 453561490 /nfs/dbraw/zinc/56/14/90/453561490.db2.gz HGYKSKVPMBAAJD-ZBFHGGJFSA-N 2 1 332.448 1.888 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662846724 453567906 /nfs/dbraw/zinc/56/79/06/453567906.db2.gz UFTQDZBFAMOKSF-HUUCEWRRSA-N 2 1 348.495 1.443 20 0 EDADMP CN(C(=O)[C@H]1C[C@@]12CCC[NH2+]C2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900212 453593996 /nfs/dbraw/zinc/59/39/96/453593996.db2.gz KJYKPHOIJUFGAA-YQVWRLOYSA-N 2 1 334.508 1.003 20 0 EDADMP CN(C(=O)[C@H]1C[C@@]12CCC[NH2+]C2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900212 453594000 /nfs/dbraw/zinc/59/40/00/453594000.db2.gz KJYKPHOIJUFGAA-YQVWRLOYSA-N 2 1 334.508 1.003 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000665232434 453618130 /nfs/dbraw/zinc/61/81/30/453618130.db2.gz MUMFDHHMTIERMF-GDBMZVCRSA-N 2 1 345.443 1.774 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH2+]1)c1sc2c(c1Br)C[NH2+]C2 ZINC000659291921 453705217 /nfs/dbraw/zinc/70/52/17/453705217.db2.gz AKYAJURHINHURD-QMMMGPOBSA-N 2 1 344.278 1.986 20 0 EDADMP C[C@@H]1CN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C[C@@H](C)[NH2+]1 ZINC000659295155 453705764 /nfs/dbraw/zinc/70/57/64/453705764.db2.gz BWLNLEMBZABNPB-HTQZYQBOSA-N 2 1 344.278 1.936 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCO1 ZINC000665551463 453743196 /nfs/dbraw/zinc/74/31/96/453743196.db2.gz HYEZSAQFUARWCD-JKSUJKDBSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H]1CN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000665554528 453746343 /nfs/dbraw/zinc/74/63/43/453746343.db2.gz NFDYXVSXGNDONV-GJZGRUSLSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+]1CC(C)(C)O ZINC000665554528 453746349 /nfs/dbraw/zinc/74/63/49/453746349.db2.gz NFDYXVSXGNDONV-GJZGRUSLSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+]1CC(C)(C)O ZINC000665554528 453746353 /nfs/dbraw/zinc/74/63/53/453746353.db2.gz NFDYXVSXGNDONV-GJZGRUSLSA-N 2 1 340.512 1.346 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665555282 453747025 /nfs/dbraw/zinc/74/70/25/453747025.db2.gz AUFVGQPIJHXCIF-HNNXBMFYSA-N 2 1 340.512 1.394 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000665555897 453747097 /nfs/dbraw/zinc/74/70/97/453747097.db2.gz MWWWIOGIPKDUBR-HZPDHXFCSA-N 2 1 338.496 1.223 20 0 EDADMP OC1CC[NH+](CCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657327894 453766270 /nfs/dbraw/zinc/76/62/70/453766270.db2.gz ZKRNMWIAXGCTCX-IBGZPJMESA-N 2 1 334.460 1.791 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661409368 453814336 /nfs/dbraw/zinc/81/43/36/453814336.db2.gz VECULTKQMNRANB-JKSUJKDBSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676242710 486702471 /nfs/dbraw/zinc/70/24/71/486702471.db2.gz ZVWJUZZRWVBOMI-GJZGRUSLSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676242710 486702475 /nfs/dbraw/zinc/70/24/75/486702475.db2.gz ZVWJUZZRWVBOMI-GJZGRUSLSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000672697793 486767707 /nfs/dbraw/zinc/76/77/07/486767707.db2.gz YKKHUNWPEFIJEH-INIZCTEOSA-N 2 1 349.479 1.079 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000680402138 486769438 /nfs/dbraw/zinc/76/94/38/486769438.db2.gz FAVCPQCEMIEOQR-MOPGFXCFSA-N 2 1 347.503 1.893 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000680402138 486769444 /nfs/dbraw/zinc/76/94/44/486769444.db2.gz FAVCPQCEMIEOQR-MOPGFXCFSA-N 2 1 347.503 1.893 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000680650325 486842640 /nfs/dbraw/zinc/84/26/40/486842640.db2.gz QTTLTVCDAPIBPZ-KRWDZBQOSA-N 2 1 346.475 1.663 20 0 EDADMP NC(=O)C[N@@H+]1CCc2ccc(N[C@@H]3CC[NH+]4CCC[C@@H]4C3)cc2C1 ZINC000683943022 486874344 /nfs/dbraw/zinc/87/43/44/486874344.db2.gz PTUOIMUOKUBNPU-QZTJIDSGSA-N 2 1 328.460 1.569 20 0 EDADMP NC(=O)C[N@H+]1CCc2ccc(N[C@@H]3CC[NH+]4CCC[C@@H]4C3)cc2C1 ZINC000683943022 486874349 /nfs/dbraw/zinc/87/43/49/486874349.db2.gz PTUOIMUOKUBNPU-QZTJIDSGSA-N 2 1 328.460 1.569 20 0 EDADMP NC(=O)C[NH+]1CCc2ccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2C1 ZINC000683943022 486874350 /nfs/dbraw/zinc/87/43/50/486874350.db2.gz PTUOIMUOKUBNPU-QZTJIDSGSA-N 2 1 328.460 1.569 20 0 EDADMP NC(=O)C[NH+]1CCc2ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2C1 ZINC000683943022 486874351 /nfs/dbraw/zinc/87/43/51/486874351.db2.gz PTUOIMUOKUBNPU-QZTJIDSGSA-N 2 1 328.460 1.569 20 0 EDADMP O=C(C[N@H+]1CC[C@H](Cc2ccncc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000680888873 486886056 /nfs/dbraw/zinc/88/60/56/486886056.db2.gz FUUDCVIELOFUKA-QGZVFWFLSA-N 2 1 342.487 1.689 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000667792457 486967039 /nfs/dbraw/zinc/96/70/39/486967039.db2.gz ZOPYHGPKHXRVTA-OKILXGFUSA-N 2 1 347.463 1.348 20 0 EDADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673512680 487030583 /nfs/dbraw/zinc/03/05/83/487030583.db2.gz MAFLENLQXROBCX-MOPGFXCFSA-N 2 1 343.471 1.564 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000677335819 487048724 /nfs/dbraw/zinc/04/87/24/487048724.db2.gz CLFSJSGDIPZMJN-USXIJHARSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000677335819 487048729 /nfs/dbraw/zinc/04/87/29/487048729.db2.gz CLFSJSGDIPZMJN-USXIJHARSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000673652103 487077932 /nfs/dbraw/zinc/07/79/32/487077932.db2.gz ZORDIQZWYUQKPU-SJLPKXTDSA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000673652103 487077937 /nfs/dbraw/zinc/07/79/37/487077937.db2.gz ZORDIQZWYUQKPU-SJLPKXTDSA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000673652103 487077942 /nfs/dbraw/zinc/07/79/42/487077942.db2.gz ZORDIQZWYUQKPU-SJLPKXTDSA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000673652103 487077948 /nfs/dbraw/zinc/07/79/48/487077948.db2.gz ZORDIQZWYUQKPU-SJLPKXTDSA-N 2 1 330.476 1.893 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000673677594 487089756 /nfs/dbraw/zinc/08/97/56/487089756.db2.gz HYKLYYKZFMXWKW-PKOBYXMFSA-N 2 1 342.487 1.990 20 0 EDADMP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000673677594 487089759 /nfs/dbraw/zinc/08/97/59/487089759.db2.gz HYKLYYKZFMXWKW-PKOBYXMFSA-N 2 1 342.487 1.990 20 0 EDADMP C[C@@H](CCNC(=O)CN1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000673746533 487105521 /nfs/dbraw/zinc/10/55/21/487105521.db2.gz SLKKJPAZIRKHLD-KRWDZBQOSA-N 2 1 332.492 1.261 20 0 EDADMP C[C@@H](CCNC(=O)CN1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000673746533 487105526 /nfs/dbraw/zinc/10/55/26/487105526.db2.gz SLKKJPAZIRKHLD-KRWDZBQOSA-N 2 1 332.492 1.261 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000673749886 487106991 /nfs/dbraw/zinc/10/69/91/487106991.db2.gz QQLGTWQJWWORTP-INIZCTEOSA-N 2 1 338.883 1.306 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000677863559 487185114 /nfs/dbraw/zinc/18/51/14/487185114.db2.gz PRXCGRYPZGCATD-IBGZPJMESA-N 2 1 348.535 1.491 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000685925102 487346555 /nfs/dbraw/zinc/34/65/55/487346555.db2.gz CINWVZJDJZMKID-BRWVUGGUSA-N 2 1 342.528 1.905 20 0 EDADMP COc1ccc2c(c1)[C@@H](NCC(=O)N1CCN(C)CC1)CCS2 ZINC000682436791 487362844 /nfs/dbraw/zinc/36/28/44/487362844.db2.gz NZSUWQUCMRBPJQ-HNNXBMFYSA-N 2 1 335.473 1.596 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000675189425 487386616 /nfs/dbraw/zinc/38/66/16/487386616.db2.gz YVSGCLBBCSFQFU-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@H](C[C@H]1CCOC1)NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000675430213 487406898 /nfs/dbraw/zinc/40/68/98/487406898.db2.gz GUJKIPYTCUKXOQ-HZPDHXFCSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H](C[C@H]1CCOC1)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000675430213 487406900 /nfs/dbraw/zinc/40/69/00/487406900.db2.gz GUJKIPYTCUKXOQ-HZPDHXFCSA-N 2 1 340.512 1.469 20 0 EDADMP O[C@@H](COc1ccccc1F)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675510220 487417332 /nfs/dbraw/zinc/41/73/32/487417332.db2.gz QNKTXPMZINGRLE-MRXNPFEDSA-N 2 1 331.391 1.783 20 0 EDADMP Cc1ccc(CNC(=O)N[C@H](CC[NH3+])C(F)F)c(N2CCCC2)[nH+]1 ZINC000669555870 485557193 /nfs/dbraw/zinc/55/71/93/485557193.db2.gz MNIGMYJGOAJAIR-CYBMUJFWSA-N 2 1 341.406 1.772 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H](C)C2)[N@H+](C)C1 ZINC000456327565 485634589 /nfs/dbraw/zinc/63/45/89/485634589.db2.gz HRDOFUIKTNOJCE-NEWSRXKRSA-N 2 1 345.487 1.686 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H](C)C2)[N@@H+](C)C1 ZINC000456327565 485634595 /nfs/dbraw/zinc/63/45/95/485634595.db2.gz HRDOFUIKTNOJCE-NEWSRXKRSA-N 2 1 345.487 1.686 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)[NH+](C)C1 ZINC000456327565 485634600 /nfs/dbraw/zinc/63/46/00/485634600.db2.gz HRDOFUIKTNOJCE-NEWSRXKRSA-N 2 1 345.487 1.686 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)[NH+](C)C1 ZINC000456327565 485634606 /nfs/dbraw/zinc/63/46/06/485634606.db2.gz HRDOFUIKTNOJCE-NEWSRXKRSA-N 2 1 345.487 1.686 20 0 EDADMP CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848050 485692757 /nfs/dbraw/zinc/69/27/57/485692757.db2.gz ZERWUSMOCWBNGN-UHFFFAOYSA-N 2 1 348.447 1.052 20 0 EDADMP CC(C)(C)OC(=O)CNC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848050 485692759 /nfs/dbraw/zinc/69/27/59/485692759.db2.gz ZERWUSMOCWBNGN-UHFFFAOYSA-N 2 1 348.447 1.052 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000669128552 485712308 /nfs/dbraw/zinc/71/23/08/485712308.db2.gz APHHTKWVTHAKOI-YJBOKZPZSA-N 2 1 348.491 1.784 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000236729559 485935504 /nfs/dbraw/zinc/93/55/04/485935504.db2.gz PFEIZLFMJCSCDW-MAUKXSAKSA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000236729559 485935511 /nfs/dbraw/zinc/93/55/11/485935511.db2.gz PFEIZLFMJCSCDW-MAUKXSAKSA-N 2 1 333.476 1.897 20 0 EDADMP C[NH+](C)C1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000668639723 485982424 /nfs/dbraw/zinc/98/24/24/485982424.db2.gz FWHQFNCKMJLJLL-UHFFFAOYSA-N 2 1 344.459 1.545 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[NH2+]C2CC2)[C@H](C)C1 ZINC000669486304 486253089 /nfs/dbraw/zinc/25/30/89/486253089.db2.gz VQJDRGZBFUAUKX-ZBFHGGJFSA-N 2 1 326.485 1.175 20 0 EDADMP C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000669934894 486519515 /nfs/dbraw/zinc/51/95/15/486519515.db2.gz ASBOMNNVRQTZRR-INIZCTEOSA-N 2 1 348.466 1.500 20 0 EDADMP C[C@H]1CN(c2ccccc2F)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000669934894 486519522 /nfs/dbraw/zinc/51/95/22/486519522.db2.gz ASBOMNNVRQTZRR-INIZCTEOSA-N 2 1 348.466 1.500 20 0 EDADMP O=C1NC[C@@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN12 ZINC000091865605 491201452 /nfs/dbraw/zinc/20/14/52/491201452.db2.gz SOVFWEWXUSQPFZ-QGZVFWFLSA-N 2 1 344.459 1.371 20 0 EDADMP O=C1NC[C@@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN12 ZINC000091865605 491201455 /nfs/dbraw/zinc/20/14/55/491201455.db2.gz SOVFWEWXUSQPFZ-QGZVFWFLSA-N 2 1 344.459 1.371 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000132988225 491218562 /nfs/dbraw/zinc/21/85/62/491218562.db2.gz ABZVOWPBWGOLRP-AEFFLSMTSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000132988225 491218566 /nfs/dbraw/zinc/21/85/66/491218566.db2.gz ABZVOWPBWGOLRP-AEFFLSMTSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH+](C)Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000132988225 491218569 /nfs/dbraw/zinc/21/85/69/491218569.db2.gz ABZVOWPBWGOLRP-AEFFLSMTSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH+](C)Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000132988225 491218572 /nfs/dbraw/zinc/21/85/72/491218572.db2.gz ABZVOWPBWGOLRP-AEFFLSMTSA-N 2 1 348.491 1.527 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)ccn1 ZINC000136992345 491232347 /nfs/dbraw/zinc/23/23/47/491232347.db2.gz AUWPPSTXDAUBEC-INIZCTEOSA-N 2 1 332.448 1.236 20 0 EDADMP CC(C)(C[NH2+]Cc1ccc(S(N)(=O)=O)cc1)C[NH+]1CCCC1 ZINC000639103597 490997844 /nfs/dbraw/zinc/99/78/44/490997844.db2.gz PYMCZWAOQJZXBQ-UHFFFAOYSA-N 2 1 325.478 1.546 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CC[NH+](CC4CCCC4)C3)[C@@H]2C1 ZINC000353332692 536461537 /nfs/dbraw/zinc/46/15/37/536461537.db2.gz WVNAIZQDCLAOQU-FGTMMUONSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000353332692 536461540 /nfs/dbraw/zinc/46/15/40/536461540.db2.gz WVNAIZQDCLAOQU-FGTMMUONSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000353332692 536461542 /nfs/dbraw/zinc/46/15/42/536461542.db2.gz WVNAIZQDCLAOQU-FGTMMUONSA-N 2 1 334.508 1.987 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000187099043 528540005 /nfs/dbraw/zinc/54/00/05/528540005.db2.gz UXWXYKMXLJPVJO-UHFFFAOYSA-N 2 1 348.491 1.396 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000345632747 535209725 /nfs/dbraw/zinc/20/97/25/535209725.db2.gz FCZHGAGMDFTUGO-ZWKOTPCHSA-N 2 1 331.460 1.486 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000345632747 535209731 /nfs/dbraw/zinc/20/97/31/535209731.db2.gz FCZHGAGMDFTUGO-ZWKOTPCHSA-N 2 1 331.460 1.486 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000345632747 535209737 /nfs/dbraw/zinc/20/97/37/535209737.db2.gz FCZHGAGMDFTUGO-ZWKOTPCHSA-N 2 1 331.460 1.486 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000345632747 535209740 /nfs/dbraw/zinc/20/97/40/535209740.db2.gz FCZHGAGMDFTUGO-ZWKOTPCHSA-N 2 1 331.460 1.486 20 0 EDADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000236873622 535557352 /nfs/dbraw/zinc/55/73/52/535557352.db2.gz XPWCTVSPNLQXAM-MRXNPFEDSA-N 2 1 335.448 1.012 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000236875507 535689109 /nfs/dbraw/zinc/68/91/09/535689109.db2.gz SLMMRGCCOFNJGG-ROUUACIJSA-N 2 1 338.540 1.546 20 0 EDADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000262254479 535703164 /nfs/dbraw/zinc/70/31/64/535703164.db2.gz XCPPPSSJGFTPKD-UHFFFAOYSA-N 2 1 346.475 1.032 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000073402168 535758934 /nfs/dbraw/zinc/75/89/34/535758934.db2.gz MBRKQGIQFMQOAO-QGZVFWFLSA-N 2 1 332.448 1.098 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000073402168 535758937 /nfs/dbraw/zinc/75/89/37/535758937.db2.gz MBRKQGIQFMQOAO-QGZVFWFLSA-N 2 1 332.448 1.098 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000262152243 536303592 /nfs/dbraw/zinc/30/35/92/536303592.db2.gz PHGMIIRPUBKKIQ-UHFFFAOYSA-N 2 1 345.365 1.839 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000262276294 536665535 /nfs/dbraw/zinc/66/55/35/536665535.db2.gz TWVOQDXNHJHUPP-HIFRSBDPSA-N 2 1 349.431 1.146 20 0 EDADMP COCC1(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000262415680 536807226 /nfs/dbraw/zinc/80/72/26/536807226.db2.gz TXVKRUASRIONCI-GJZGRUSLSA-N 2 1 341.496 1.007 20 0 EDADMP O=C(CCN1CCOCC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000728555562 578548745 /nfs/dbraw/zinc/54/87/45/578548745.db2.gz HYBSDZRGJFONQT-LJQANCHMSA-N 2 1 345.487 1.390 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000728555562 578548746 /nfs/dbraw/zinc/54/87/46/578548746.db2.gz HYBSDZRGJFONQT-LJQANCHMSA-N 2 1 345.487 1.390 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000728555562 578548747 /nfs/dbraw/zinc/54/87/47/578548747.db2.gz HYBSDZRGJFONQT-LJQANCHMSA-N 2 1 345.487 1.390 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730826378 578659934 /nfs/dbraw/zinc/65/99/34/578659934.db2.gz XAYQAQBLGKPEFN-BRWVUGGUSA-N 2 1 336.480 1.119 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@H](c3ccco3)C1)C2=O ZINC000732182692 578695743 /nfs/dbraw/zinc/69/57/43/578695743.db2.gz WBFDUHBCWBMTCN-ZDUSSCGKSA-N 2 1 332.404 1.043 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@H](c3ccco3)C1)C2=O ZINC000732182692 578695744 /nfs/dbraw/zinc/69/57/44/578695744.db2.gz WBFDUHBCWBMTCN-ZDUSSCGKSA-N 2 1 332.404 1.043 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(CN(C)c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000733190021 578751261 /nfs/dbraw/zinc/75/12/61/578751261.db2.gz OCBLEZQYVAJSFO-OAHLLOKOSA-N 2 1 333.480 1.606 20 0 EDADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnn(-c3ccccc3)n2)CC1 ZINC000760701405 580036695 /nfs/dbraw/zinc/03/66/95/580036695.db2.gz AIDGQNQRHXDVGU-UHFFFAOYSA-N 2 1 329.448 1.592 20 0 EDADMP C[C@@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[N@@H+](C)C1CC1 ZINC000734275116 578804287 /nfs/dbraw/zinc/80/42/87/578804287.db2.gz OVUPBJZLMJPZSX-YOEHRIQHSA-N 2 1 338.496 1.412 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@H](O)C[C@H]3C)cc2)CC1 ZINC000761113486 580048603 /nfs/dbraw/zinc/04/86/03/580048603.db2.gz PJBQIMHFPUAASX-CRAIPNDOSA-N 2 1 346.475 1.222 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3C[C@H](O)C[C@H]3C)cc2)CC1 ZINC000761113486 580048604 /nfs/dbraw/zinc/04/86/04/580048604.db2.gz PJBQIMHFPUAASX-CRAIPNDOSA-N 2 1 346.475 1.222 20 0 EDADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000738089451 579158743 /nfs/dbraw/zinc/15/87/43/579158743.db2.gz JUGUEHORBKHHKS-GOSISDBHSA-N 2 1 336.480 1.717 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000738089451 579158745 /nfs/dbraw/zinc/15/87/45/579158745.db2.gz JUGUEHORBKHHKS-GOSISDBHSA-N 2 1 336.480 1.717 20 0 EDADMP CC[N@H+]1CCN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@@H]1C ZINC000754022035 579894136 /nfs/dbraw/zinc/89/41/36/579894136.db2.gz NFJRGVWVGMDFPF-INIZCTEOSA-N 2 1 345.491 1.996 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000764605874 580124500 /nfs/dbraw/zinc/12/45/00/580124500.db2.gz DYFPNGYEKHOPKS-IRXDYDNUSA-N 2 1 325.497 1.726 20 0 EDADMP CCNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000772974877 580324498 /nfs/dbraw/zinc/32/44/98/580324498.db2.gz BACQXTDNVSDBKD-WBVHZDCISA-N 2 1 339.505 1.568 20 0 EDADMP CCNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000772974877 580324499 /nfs/dbraw/zinc/32/44/99/580324499.db2.gz BACQXTDNVSDBKD-WBVHZDCISA-N 2 1 339.505 1.568 20 0 EDADMP CNS(=O)(=O)Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000774133493 580354768 /nfs/dbraw/zinc/35/47/68/580354768.db2.gz HQHKZWGMJREKHJ-ALOPSCKCSA-N 2 1 337.489 1.451 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCCC(C)(C)C)C1 ZINC000779654192 580493418 /nfs/dbraw/zinc/49/34/18/580493418.db2.gz ZGDZJABDAHCZRX-CYBMUJFWSA-N 2 1 328.457 1.146 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCCC(C)(C)C)C1 ZINC000779654192 580493419 /nfs/dbraw/zinc/49/34/19/580493419.db2.gz ZGDZJABDAHCZRX-CYBMUJFWSA-N 2 1 328.457 1.146 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC000781215948 580544512 /nfs/dbraw/zinc/54/45/12/580544512.db2.gz VLARMTUNUQTKOF-MRXNPFEDSA-N 2 1 325.497 1.556 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@@]3(C1)CCCOC3)C[NH+]1CCC2CC1 ZINC000789545460 580749076 /nfs/dbraw/zinc/74/90/76/580749076.db2.gz LRQPZBACXSXRIK-QZTJIDSGSA-N 2 1 335.448 1.363 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CC[C@@]3(C1)CCCOC3)C[NH+]1CCC2CC1 ZINC000789545460 580749077 /nfs/dbraw/zinc/74/90/77/580749077.db2.gz LRQPZBACXSXRIK-QZTJIDSGSA-N 2 1 335.448 1.363 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792500228 580821418 /nfs/dbraw/zinc/82/14/18/580821418.db2.gz YUPPSLNBVQRZAD-GOSISDBHSA-N 2 1 331.460 1.347 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792500228 580821419 /nfs/dbraw/zinc/82/14/19/580821419.db2.gz YUPPSLNBVQRZAD-GOSISDBHSA-N 2 1 331.460 1.347 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=S)NCCC[NH+]1CCOCC1 ZINC000795137378 580914217 /nfs/dbraw/zinc/91/42/17/580914217.db2.gz PXBRXUINHICVMZ-CVEARBPZSA-N 2 1 340.537 1.142 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C2CC2)CC1 ZINC000801519086 581078860 /nfs/dbraw/zinc/07/88/60/581078860.db2.gz FIZWPKXQUREZCJ-GOSISDBHSA-N 2 1 349.450 1.488 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C2CC2)CC1 ZINC000801519086 581078861 /nfs/dbraw/zinc/07/88/61/581078861.db2.gz FIZWPKXQUREZCJ-GOSISDBHSA-N 2 1 349.450 1.488 20 0 EDADMP C[N@@H+](CCCCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000891953211 590704328 /nfs/dbraw/zinc/70/43/28/590704328.db2.gz NYAHHYFGYCCJBU-INIZCTEOSA-N 2 1 338.496 1.319 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000891956392 590707063 /nfs/dbraw/zinc/70/70/63/590707063.db2.gz PVGDNZATUPJJHH-ZWKOTPCHSA-N 2 1 332.492 1.978 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000892013206 590744388 /nfs/dbraw/zinc/74/43/88/590744388.db2.gz CRRWSDJLPXXSCH-ZWKOTPCHSA-N 2 1 346.475 1.247 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000892013206 590744390 /nfs/dbraw/zinc/74/43/90/590744390.db2.gz CRRWSDJLPXXSCH-ZWKOTPCHSA-N 2 1 346.475 1.247 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000892023868 590754042 /nfs/dbraw/zinc/75/40/42/590754042.db2.gz LEWSYHDTYJPYSN-ROUUACIJSA-N 2 1 346.475 1.232 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000892023868 590754045 /nfs/dbraw/zinc/75/40/45/590754045.db2.gz LEWSYHDTYJPYSN-ROUUACIJSA-N 2 1 346.475 1.232 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](C)C[NH3+])C1 ZINC000892043969 590769123 /nfs/dbraw/zinc/76/91/23/590769123.db2.gz FBZWHORWRRLWAB-RHSMWYFYSA-N 2 1 334.464 1.090 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](C)C[NH3+])C1 ZINC000892043969 590769127 /nfs/dbraw/zinc/76/91/27/590769127.db2.gz FBZWHORWRRLWAB-RHSMWYFYSA-N 2 1 334.464 1.090 20 0 EDADMP [NH3+][C@H]1CCCCCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C1 ZINC000892131209 590815281 /nfs/dbraw/zinc/81/52/81/590815281.db2.gz QPSHDHHAVVAWLW-GTPINHCMSA-N 2 1 337.512 1.116 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000892144032 590820065 /nfs/dbraw/zinc/82/00/65/590820065.db2.gz GXIOWDBSJBCANA-RIVXBTQJSA-N 2 1 330.476 1.886 20 0 EDADMP COCCC1(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH2+]CC1 ZINC000892237292 590880129 /nfs/dbraw/zinc/88/01/29/590880129.db2.gz YWTNVLLNYVKYAN-HZPDHXFCSA-N 2 1 338.496 1.461 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000892252150 590887671 /nfs/dbraw/zinc/88/76/71/590887671.db2.gz FSPNNENCYRIAIL-MANSERQUSA-N 2 1 342.487 1.868 20 0 EDADMP CN1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](C)CC1 ZINC000888989525 590969248 /nfs/dbraw/zinc/96/92/48/590969248.db2.gz PJPOOBPDIROFGK-KRWDZBQOSA-N 2 1 336.524 1.347 20 0 EDADMP CN1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+](C)CC1 ZINC000888989525 590969249 /nfs/dbraw/zinc/96/92/49/590969249.db2.gz PJPOOBPDIROFGK-KRWDZBQOSA-N 2 1 336.524 1.347 20 0 EDADMP CN1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](C)CC1 ZINC000888989525 590969251 /nfs/dbraw/zinc/96/92/51/590969251.db2.gz PJPOOBPDIROFGK-KRWDZBQOSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC[N@H+]1CC(C)(C)O ZINC000892387553 591005468 /nfs/dbraw/zinc/00/54/68/591005468.db2.gz RHDIPPNCBCDTEJ-GJZGRUSLSA-N 2 1 340.512 1.251 20 0 EDADMP [NH3+][C@H](CCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)Cc1ccccc1 ZINC000892407662 591015104 /nfs/dbraw/zinc/01/51/04/591015104.db2.gz BVWMQABREAODSA-QZTJIDSGSA-N 2 1 348.491 1.093 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892484978 591044549 /nfs/dbraw/zinc/04/45/49/591044549.db2.gz RULQAKGOBGCHPJ-CABCVRRESA-N 2 1 340.512 1.251 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]3C[NH+](C)C[C@H]32)c1 ZINC000892490152 591047282 /nfs/dbraw/zinc/04/72/82/591047282.db2.gz NUYMIPHKARIVJW-ZWKOTPCHSA-N 2 1 330.476 1.984 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000892490152 591047286 /nfs/dbraw/zinc/04/72/86/591047286.db2.gz NUYMIPHKARIVJW-ZWKOTPCHSA-N 2 1 330.476 1.984 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000892490152 591047291 /nfs/dbraw/zinc/04/72/91/591047291.db2.gz NUYMIPHKARIVJW-ZWKOTPCHSA-N 2 1 330.476 1.984 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N(C)C3CC[NH2+]CC3)C2)cc1 ZINC000892529956 591060592 /nfs/dbraw/zinc/06/05/92/591060592.db2.gz GMRNUMQIABASJP-QGZVFWFLSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2)cc1 ZINC000892530035 591061180 /nfs/dbraw/zinc/06/11/80/591061180.db2.gz IBPJARBRKCVJQR-GVDBMIGSSA-N 2 1 334.439 1.650 20 0 EDADMP [NH3+][C@H](CCNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000891364934 591062049 /nfs/dbraw/zinc/06/20/49/591062049.db2.gz FRCGXYMMYNAJOK-IAGOWNOFSA-N 2 1 330.476 1.730 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000892536597 591064026 /nfs/dbraw/zinc/06/40/26/591064026.db2.gz QVEONFLEXMUWLA-MJGOQNOKSA-N 2 1 346.475 1.247 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000892536597 591064030 /nfs/dbraw/zinc/06/40/30/591064030.db2.gz QVEONFLEXMUWLA-MJGOQNOKSA-N 2 1 346.475 1.247 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892546725 591068179 /nfs/dbraw/zinc/06/81/79/591068179.db2.gz KVDGXSDIYSUVPW-ZIFCJYIRSA-N 2 1 346.475 1.002 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000891514757 591103717 /nfs/dbraw/zinc/10/37/17/591103717.db2.gz YWZJBVSYLCRSKS-MPGHIAIKSA-N 2 1 338.496 1.256 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000892687846 591130950 /nfs/dbraw/zinc/13/09/50/591130950.db2.gz YFPBSRNKMFPJGL-SJORKVTESA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC000891766435 591216822 /nfs/dbraw/zinc/21/68/22/591216822.db2.gz UDQJOCRERCFCLH-DRZSPHRISA-N 2 1 334.386 1.415 20 0 EDADMP Cc1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c2c(n1)CCCC2 ZINC000892926988 591227701 /nfs/dbraw/zinc/22/77/01/591227701.db2.gz PDXPHVHSNSXMSM-UHFFFAOYSA-N 2 1 330.476 1.523 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000892944348 591234647 /nfs/dbraw/zinc/23/46/47/591234647.db2.gz PAMCAPCLKMTUNP-QGZVFWFLSA-N 2 1 338.496 1.413 20 0 EDADMP COC(=O)c1sccc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000892950751 591236950 /nfs/dbraw/zinc/23/69/50/591236950.db2.gz GRRWZNNUFDABCR-AWEZNQCLSA-N 2 1 326.462 1.861 20 0 EDADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3C(=O)NCC34CCOCC4)CC2)C1 ZINC000895771276 591269457 /nfs/dbraw/zinc/26/94/57/591269457.db2.gz JMNHRSIPEPJHCJ-KBAYOESNSA-N 2 1 349.519 1.914 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH2+]C(C)C)c2ccc(OC)cc2)C1 ZINC000896259425 591400941 /nfs/dbraw/zinc/40/09/41/591400941.db2.gz VJAAFFHXSNWDIS-FUHWJXTLSA-N 2 1 349.475 1.571 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000897455806 591461431 /nfs/dbraw/zinc/46/14/31/591461431.db2.gz VSXHZUGXXQOHFZ-IAGOWNOFSA-N 2 1 338.496 1.082 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000894987163 591512606 /nfs/dbraw/zinc/51/26/06/591512606.db2.gz MIENCRGHTHWPAA-IKGGRYGDSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000894987163 591512608 /nfs/dbraw/zinc/51/26/08/591512608.db2.gz MIENCRGHTHWPAA-IKGGRYGDSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000894987163 591512610 /nfs/dbraw/zinc/51/26/10/591512610.db2.gz MIENCRGHTHWPAA-IKGGRYGDSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)o1 ZINC000896570307 591530416 /nfs/dbraw/zinc/53/04/16/591530416.db2.gz YNMURTKFWWKCMR-GDBMZVCRSA-N 2 1 336.480 1.486 20 0 EDADMP C[N@@H+]1CCCC[C@@H](CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000897544311 591543911 /nfs/dbraw/zinc/54/39/11/591543911.db2.gz NKCKACXFDPRFRD-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP C[N@H+]1CCCC[C@@H](CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000897544311 591543913 /nfs/dbraw/zinc/54/39/13/591543913.db2.gz NKCKACXFDPRFRD-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897548716 591547626 /nfs/dbraw/zinc/54/76/26/591547626.db2.gz MQSTYIDZCJBVQS-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP CN1CC[NH+](CC2CCN(C(=O)[C@@H]3CC[N@H+]3C(C)(C)C)CC2)CC1 ZINC000896628271 591557550 /nfs/dbraw/zinc/55/75/50/591557550.db2.gz MPXNFAOYRSJVSO-KRWDZBQOSA-N 2 1 336.524 1.345 20 0 EDADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000897584554 591568518 /nfs/dbraw/zinc/56/85/18/591568518.db2.gz DNWCCKOYVJYCKF-QWFCFKBJSA-N 2 1 345.487 1.595 20 0 EDADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC000896881060 591646060 /nfs/dbraw/zinc/64/60/60/591646060.db2.gz BRTKQTMSDQUHIZ-JKIFEVAISA-N 2 1 331.464 1.875 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC000896881060 591646062 /nfs/dbraw/zinc/64/60/62/591646062.db2.gz BRTKQTMSDQUHIZ-JKIFEVAISA-N 2 1 331.464 1.875 20 0 EDADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000896881060 591646064 /nfs/dbraw/zinc/64/60/64/591646064.db2.gz BRTKQTMSDQUHIZ-JKIFEVAISA-N 2 1 331.464 1.875 20 0 EDADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000896881060 591646066 /nfs/dbraw/zinc/64/60/66/591646066.db2.gz BRTKQTMSDQUHIZ-JKIFEVAISA-N 2 1 331.464 1.875 20 0 EDADMP OCC[N@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(N2CCSCC2)ncn1 ZINC000897221107 591775038 /nfs/dbraw/zinc/77/50/38/591775038.db2.gz HGPILPCLHWZANF-HUUCEWRRSA-N 2 1 349.504 1.065 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(c3cc[nH+]cc3)C[C@@H]1C)C2 ZINC000899808349 591945944 /nfs/dbraw/zinc/94/59/44/591945944.db2.gz DNXLGMNMFCHGNB-GOEBONIOSA-N 2 1 339.443 1.886 20 0 EDADMP CC1CCN(c2ccc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)cn2)CC1 ZINC000900233734 591949627 /nfs/dbraw/zinc/94/96/27/591949627.db2.gz ZNVMJCHROAKONU-QFBILLFUSA-N 2 1 346.475 1.389 20 0 EDADMP CC1CCN(c2ccc(CNC(=O)[C@@]3(C)C[C@H](O)CN3C)cn2)CC1 ZINC000900233734 591949629 /nfs/dbraw/zinc/94/96/29/591949629.db2.gz ZNVMJCHROAKONU-QFBILLFUSA-N 2 1 346.475 1.389 20 0 EDADMP CC1(C)C[NH2+]CC[C@H](NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000902363864 591986595 /nfs/dbraw/zinc/98/65/95/591986595.db2.gz NZQXYKFSFDUQOA-RBUKOAKNSA-N 2 1 331.504 1.773 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000902363864 591986598 /nfs/dbraw/zinc/98/65/98/591986598.db2.gz NZQXYKFSFDUQOA-RBUKOAKNSA-N 2 1 331.504 1.773 20 0 EDADMP O=C1O[C@H](CNc2cc[nH+]cc2Br)CC12CC[NH2+]CC2 ZINC000900362472 591995467 /nfs/dbraw/zinc/99/54/67/591995467.db2.gz MXYMTSCHWZNBHM-JTQLQIEISA-N 2 1 340.221 1.363 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000900344537 591996499 /nfs/dbraw/zinc/99/64/99/591996499.db2.gz LSOVEWQNLULLMY-ZWKOTPCHSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000900344537 591996501 /nfs/dbraw/zinc/99/65/01/591996501.db2.gz LSOVEWQNLULLMY-ZWKOTPCHSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000900344537 591996503 /nfs/dbraw/zinc/99/65/03/591996503.db2.gz LSOVEWQNLULLMY-ZWKOTPCHSA-N 2 1 338.540 1.639 20 0 EDADMP CN(c1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1)S(C)(=O)=O ZINC000902515827 592008730 /nfs/dbraw/zinc/00/87/30/592008730.db2.gz YHEWMCWZNAOMFY-CVEARBPZSA-N 2 1 325.478 1.832 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000900537148 592050812 /nfs/dbraw/zinc/05/08/12/592050812.db2.gz DXYHNTUDKPTEGB-PKOBYXMFSA-N 2 1 337.508 1.556 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@H]1CCCc3nn(C)cc31)C2 ZINC000903117109 592123336 /nfs/dbraw/zinc/12/33/36/592123336.db2.gz UNQRDVBYOVCOLD-DZRGKWQISA-N 2 1 332.492 1.867 20 0 EDADMP Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[nH]1 ZINC000903219490 592141818 /nfs/dbraw/zinc/14/18/18/592141818.db2.gz GXTIELFIUUOKKY-IBWRZXHSSA-N 2 1 331.464 1.938 20 0 EDADMP Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)n[nH]1 ZINC000903219490 592141819 /nfs/dbraw/zinc/14/18/19/592141819.db2.gz GXTIELFIUUOKKY-IBWRZXHSSA-N 2 1 331.464 1.938 20 0 EDADMP Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n[nH]1 ZINC000903219490 592141821 /nfs/dbraw/zinc/14/18/21/592141821.db2.gz GXTIELFIUUOKKY-IBWRZXHSSA-N 2 1 331.464 1.938 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@]1(CO)COCCN1C ZINC000903278823 592150566 /nfs/dbraw/zinc/15/05/66/592150566.db2.gz HPDCMLCHLWDVIR-MISYRCLQSA-N 2 1 347.503 1.180 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCOc1cccc(Cl)c1)C2 ZINC000903493483 592185550 /nfs/dbraw/zinc/18/55/50/592185550.db2.gz YMWYRJJSTIULOG-QEORTHHSSA-N 2 1 338.835 1.931 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cc1 ZINC000903562004 592210594 /nfs/dbraw/zinc/21/05/94/592210594.db2.gz UOHPBAXMGLFHCY-JTDSTZFVSA-N 2 1 347.459 1.948 20 0 EDADMP C[NH+](C)C[C@H]1CN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c2ccccc2O1 ZINC000901059813 592219781 /nfs/dbraw/zinc/21/97/81/592219781.db2.gz CWPXYHYFJJTFKP-KXBFYZLASA-N 2 1 347.459 1.189 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906647069 592232014 /nfs/dbraw/zinc/23/20/14/592232014.db2.gz ZZRJGKJZUTZUHB-AWEZNQCLSA-N 2 1 346.475 1.667 20 0 EDADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(N)nn3)CC2)CC1 ZINC000904342637 592234405 /nfs/dbraw/zinc/23/44/05/592234405.db2.gz LXGHDZZPPPBIIV-UHFFFAOYSA-N 2 1 346.523 1.687 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@H]3C[C@@H]([NH3+])C3)c2)C1 ZINC000904360258 592238384 /nfs/dbraw/zinc/23/83/84/592238384.db2.gz KARZUAOQXNVLMZ-OKZBNKHCSA-N 3 1 330.476 1.211 20 0 EDADMP C[C@@]1(C[NH2+]Cc2ccccc2OCCN2CCOCC2)CCC[NH2+]C1 ZINC000904363207 592241308 /nfs/dbraw/zinc/24/13/08/592241308.db2.gz XUYMGQMPAGZJIH-HXUWFJFHSA-N 2 1 347.503 1.877 20 0 EDADMP C[C@]1(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCC[NH2+]C1 ZINC000904378929 592245038 /nfs/dbraw/zinc/24/50/38/592245038.db2.gz MWGFNTZATSUOJN-APWZRJJASA-N 2 1 346.523 1.388 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904411968 592251282 /nfs/dbraw/zinc/25/12/82/592251282.db2.gz QTPFAHKAWQFLAF-XJKSGUPXSA-N 2 1 336.480 1.868 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1OC ZINC000904420350 592258322 /nfs/dbraw/zinc/25/83/22/592258322.db2.gz LIJUDPKXEXDPHZ-JKSUJKDBSA-N 2 1 347.459 1.251 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1OC ZINC000904420350 592258325 /nfs/dbraw/zinc/25/83/25/592258325.db2.gz LIJUDPKXEXDPHZ-JKSUJKDBSA-N 2 1 347.459 1.251 20 0 EDADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000908020086 592268231 /nfs/dbraw/zinc/26/82/31/592268231.db2.gz GRRMZVKLJHJVNI-KSZLIROESA-N 2 1 335.492 1.574 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000904530488 592280111 /nfs/dbraw/zinc/28/01/11/592280111.db2.gz NDQWCKONHRSBIX-MHORFTMASA-N 2 1 344.459 1.564 20 0 EDADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000908034707 592281893 /nfs/dbraw/zinc/28/18/93/592281893.db2.gz GRRMZVKLJHJVNI-KURKYZTESA-N 2 1 335.492 1.574 20 0 EDADMP O=C1C[C@@H](c2ccccc2)[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903723304 592283644 /nfs/dbraw/zinc/28/36/44/592283644.db2.gz UXZFHJPZZUYWHA-MSOLQXFVSA-N 2 1 343.471 1.708 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903713523 592291310 /nfs/dbraw/zinc/29/13/10/592291310.db2.gz ULTPLJBIGOLKIM-JHJVBQTASA-N 2 1 337.386 1.273 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCOC3CCSCC3)C2)nn1 ZINC000903761537 592308037 /nfs/dbraw/zinc/30/80/37/592308037.db2.gz VSUZSICIEURFNE-AWEZNQCLSA-N 2 1 325.482 1.286 20 0 EDADMP Cc1noc(C[C@H]2CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000903822962 592334721 /nfs/dbraw/zinc/33/47/21/592334721.db2.gz ASVSHWKAGGTIHT-SQNIBIBYSA-N 2 1 344.459 1.563 20 0 EDADMP CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903889377 592350836 /nfs/dbraw/zinc/35/08/36/592350836.db2.gz RKBLRRFQWSFWTD-CVEARBPZSA-N 2 1 348.495 1.331 20 0 EDADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903889377 592350840 /nfs/dbraw/zinc/35/08/40/592350840.db2.gz RKBLRRFQWSFWTD-CVEARBPZSA-N 2 1 348.495 1.331 20 0 EDADMP COc1cccc(NC(=O)c2cc(CC[NH+]3CCC([NH3+])CC3)on2)c1 ZINC000901395812 592354533 /nfs/dbraw/zinc/35/45/33/592354533.db2.gz KBBBXPRWLMDAIM-UHFFFAOYSA-N 2 1 344.415 1.901 20 0 EDADMP c1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000903878783 592359812 /nfs/dbraw/zinc/35/98/12/592359812.db2.gz YTJRFWWHKVFZDW-UHFFFAOYSA-N 3 1 328.504 1.546 20 0 EDADMP CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903912243 592374849 /nfs/dbraw/zinc/37/48/49/592374849.db2.gz CBOAFQUEVZOMEF-DLBZAZTESA-N 2 1 346.479 1.178 20 0 EDADMP CC(=O)N(C[C@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903912243 592374851 /nfs/dbraw/zinc/37/48/51/592374851.db2.gz CBOAFQUEVZOMEF-DLBZAZTESA-N 2 1 346.479 1.178 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960111 592391629 /nfs/dbraw/zinc/39/16/29/592391629.db2.gz XGTISQNFIZNVQL-IBGZPJMESA-N 2 1 347.507 1.531 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960111 592391630 /nfs/dbraw/zinc/39/16/30/592391630.db2.gz XGTISQNFIZNVQL-IBGZPJMESA-N 2 1 347.507 1.531 20 0 EDADMP CC[C@](O)(C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C(F)(F)F ZINC000905089180 592392507 /nfs/dbraw/zinc/39/25/07/592392507.db2.gz MOAZGGSNQNUUAQ-OCCSQVGLSA-N 2 1 339.402 1.222 20 0 EDADMP CC[C@](O)(C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C(F)(F)F ZINC000905089180 592392513 /nfs/dbraw/zinc/39/25/13/592392513.db2.gz MOAZGGSNQNUUAQ-OCCSQVGLSA-N 2 1 339.402 1.222 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CC1(O)CCCCC1 ZINC000905108453 592410132 /nfs/dbraw/zinc/41/01/32/592410132.db2.gz AFMOTNWWGLDQNV-ZWKOTPCHSA-N 2 1 340.508 1.666 20 0 EDADMP CN(C)c1nccc2cc(NC(=O)C3CN(C)CC[N@@H+](C)C3)ccc21 ZINC000908535801 592528439 /nfs/dbraw/zinc/52/84/39/592528439.db2.gz XXMOFSKGONKRCF-UHFFFAOYSA-N 2 1 341.459 1.733 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000905475888 592537395 /nfs/dbraw/zinc/53/73/95/592537395.db2.gz XIPFYHWBQJXCRU-RBUKOAKNSA-N 2 1 346.446 1.812 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000905475888 592537397 /nfs/dbraw/zinc/53/73/97/592537397.db2.gz XIPFYHWBQJXCRU-RBUKOAKNSA-N 2 1 346.446 1.812 20 0 EDADMP C[N@H+]1CCN(C(=O)CCCCN2CCOCC2)CC12CCCCC2 ZINC000908570431 592543133 /nfs/dbraw/zinc/54/31/33/592543133.db2.gz CBXKBHCSUXYRIV-UHFFFAOYSA-N 2 1 337.508 1.966 20 0 EDADMP C[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)CC12CCCCC2 ZINC000908570431 592543136 /nfs/dbraw/zinc/54/31/36/592543136.db2.gz CBXKBHCSUXYRIV-UHFFFAOYSA-N 2 1 337.508 1.966 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000905655681 592598111 /nfs/dbraw/zinc/59/81/11/592598111.db2.gz XZFZSKBZWBJDPW-FQBWVUSXSA-N 2 1 346.471 1.657 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000905655681 592598113 /nfs/dbraw/zinc/59/81/13/592598113.db2.gz XZFZSKBZWBJDPW-FQBWVUSXSA-N 2 1 346.471 1.657 20 0 EDADMP COc1cc2[nH+]c(NCC[C@@H]3C[NH2+]C[C@H]3C)nc(N)c2cc1OC ZINC000905692411 592623488 /nfs/dbraw/zinc/62/34/88/592623488.db2.gz GAPQEGQUKOHBKW-GHMZBOCLSA-N 2 1 331.420 1.887 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000906067556 592736270 /nfs/dbraw/zinc/73/62/70/592736270.db2.gz CMYQZNULDILZDR-UHFFFAOYSA-N 2 1 344.503 1.392 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000907747532 592787469 /nfs/dbraw/zinc/78/74/69/592787469.db2.gz UDJKEKDZLPBZAA-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP CC[NH+]1CCC(N2CCCN(Cc3cn(C4CC4)nn3)CC2)CC1 ZINC000906320775 592794576 /nfs/dbraw/zinc/79/45/76/592794576.db2.gz NYINBSRPXXGPEK-UHFFFAOYSA-N 2 1 332.496 1.605 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)[C@H](C)C1 ZINC000910268880 592814968 /nfs/dbraw/zinc/81/49/68/592814968.db2.gz YXJQVVJBQVBJAG-KBAYOESNSA-N 2 1 347.507 1.398 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)[C@H](C)C1 ZINC000910268880 592814971 /nfs/dbraw/zinc/81/49/71/592814971.db2.gz YXJQVVJBQVBJAG-KBAYOESNSA-N 2 1 347.507 1.398 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)[C@H](C)C1 ZINC000910268880 592814974 /nfs/dbraw/zinc/81/49/74/592814974.db2.gz YXJQVVJBQVBJAG-KBAYOESNSA-N 2 1 347.507 1.398 20 0 EDADMP CC[N@H+]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000910281013 592819718 /nfs/dbraw/zinc/81/97/18/592819718.db2.gz GTIQCLIZMNBSGZ-QGZVFWFLSA-N 2 1 337.508 1.964 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000907951837 592854890 /nfs/dbraw/zinc/85/48/90/592854890.db2.gz APQLNPIPAXEPSG-KRWDZBQOSA-N 2 1 347.507 1.972 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)C[C@@H](C)O1 ZINC000911853278 593026884 /nfs/dbraw/zinc/02/68/84/593026884.db2.gz ZBYZJOYMVSBHNN-OAGGEKHMSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[N@H+]2C)C[C@@H](C)O1 ZINC000911853278 593026886 /nfs/dbraw/zinc/02/68/86/593026886.db2.gz ZBYZJOYMVSBHNN-OAGGEKHMSA-N 2 1 340.512 1.658 20 0 EDADMP C[N@@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000736798134 593038212 /nfs/dbraw/zinc/03/82/12/593038212.db2.gz QJNBHGNAHBGXDA-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP C[NH+](CCCOc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000736798134 593038213 /nfs/dbraw/zinc/03/82/13/593038213.db2.gz QJNBHGNAHBGXDA-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP C[NH+](CCCOc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000736798134 593038214 /nfs/dbraw/zinc/03/82/14/593038214.db2.gz QJNBHGNAHBGXDA-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP C[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCc2sccc2C1 ZINC000912239039 593074949 /nfs/dbraw/zinc/07/49/49/593074949.db2.gz NRVFBGQXSDPNIB-HNNXBMFYSA-N 2 1 336.505 1.890 20 0 EDADMP C[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCc2sccc2C1 ZINC000912239039 593074951 /nfs/dbraw/zinc/07/49/51/593074951.db2.gz NRVFBGQXSDPNIB-HNNXBMFYSA-N 2 1 336.505 1.890 20 0 EDADMP C[NH+]1CCCC[C@H]1CNC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000912239039 593074953 /nfs/dbraw/zinc/07/49/53/593074953.db2.gz NRVFBGQXSDPNIB-HNNXBMFYSA-N 2 1 336.505 1.890 20 0 EDADMP C[NH+]1CCCC[C@H]1CNC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000912239039 593074955 /nfs/dbraw/zinc/07/49/55/593074955.db2.gz NRVFBGQXSDPNIB-HNNXBMFYSA-N 2 1 336.505 1.890 20 0 EDADMP CN(CC[N@@H+](C)CCO)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000912598859 593107242 /nfs/dbraw/zinc/10/72/42/593107242.db2.gz IGAHHJFMOOXYEW-UHFFFAOYSA-N 2 1 333.476 1.669 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)C2)C1 ZINC000840087592 593156907 /nfs/dbraw/zinc/15/69/07/593156907.db2.gz KTJQCRZSYPXNTA-BXWFABGCSA-N 2 1 335.492 1.778 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=S)NCCC[NH+](C)C)C[C@H](C)O1 ZINC000839400587 593297352 /nfs/dbraw/zinc/29/73/52/593297352.db2.gz RORPMAAVHNRRRD-KBPBESRZSA-N 2 1 330.542 1.290 20 0 EDADMP C[C@H]1C[N@@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C[C@H]1C ZINC000840017482 593370869 /nfs/dbraw/zinc/37/08/69/593370869.db2.gz ZEDWDFFQPAHLGG-LVYXFOGZSA-N 2 1 341.455 1.649 20 0 EDADMP C[C@H]1C[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C[C@H]1C ZINC000840017482 593370870 /nfs/dbraw/zinc/37/08/70/593370870.db2.gz ZEDWDFFQPAHLGG-LVYXFOGZSA-N 2 1 341.455 1.649 20 0 EDADMP C[C@H]1C[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C[C@H]1C ZINC000840017482 593370871 /nfs/dbraw/zinc/37/08/71/593370871.db2.gz ZEDWDFFQPAHLGG-LVYXFOGZSA-N 2 1 341.455 1.649 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000810358886 593395383 /nfs/dbraw/zinc/39/53/83/593395383.db2.gz POHGMRYGRNVHKD-HDMKZQKVSA-N 2 1 341.471 1.257 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000810358886 593395385 /nfs/dbraw/zinc/39/53/85/593395385.db2.gz POHGMRYGRNVHKD-HDMKZQKVSA-N 2 1 341.471 1.257 20 0 EDADMP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000816953421 593562968 /nfs/dbraw/zinc/56/29/68/593562968.db2.gz HCHQLOAEKIHRLI-NQPDJEJGSA-N 2 1 343.471 1.803 20 0 EDADMP NC(=[NH+]OCc1ccc(CN2CCOCC2)cc1)C1CCOCC1 ZINC000817378999 593599154 /nfs/dbraw/zinc/59/91/54/593599154.db2.gz RLKVWZFYYRVVDM-UHFFFAOYSA-N 2 1 333.432 1.944 20 0 EDADMP C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)C1=O ZINC000817929511 593649788 /nfs/dbraw/zinc/64/97/88/593649788.db2.gz PLBVDBUBUUIPTE-FRQCXROJSA-N 2 1 342.443 1.881 20 0 EDADMP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000819061337 593736643 /nfs/dbraw/zinc/73/66/43/593736643.db2.gz KXVYVAOROVXWMY-QUCCMNQESA-N 2 1 348.487 1.968 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000821581098 593867399 /nfs/dbraw/zinc/86/73/99/593867399.db2.gz CFQWGSMMUWXRBW-ZIAGYGMSSA-N 2 1 340.435 1.477 20 0 EDADMP CNC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000820806457 593894411 /nfs/dbraw/zinc/89/44/11/593894411.db2.gz IVIQVDULEYOWHQ-AYHJJNSGSA-N 2 1 331.460 1.778 20 0 EDADMP CN(C)c1ncc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)n1C ZINC000822446304 594049800 /nfs/dbraw/zinc/04/98/00/594049800.db2.gz DMJYDYOLKKJPAW-HOCLYGCPSA-N 2 1 332.452 1.308 20 0 EDADMP CN(C)c1ncc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)n1C ZINC000822446302 594049973 /nfs/dbraw/zinc/04/99/73/594049973.db2.gz DMJYDYOLKKJPAW-GDBMZVCRSA-N 2 1 332.452 1.308 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000822802840 594103104 /nfs/dbraw/zinc/10/31/04/594103104.db2.gz DHRRUFBGHCJSPJ-CQSZACIVSA-N 2 1 348.403 1.630 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000822915008 594121546 /nfs/dbraw/zinc/12/15/46/594121546.db2.gz LBSMDPSNFAWVBZ-CABCVRRESA-N 2 1 342.447 1.739 20 0 EDADMP CC[C@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000831342041 594611111 /nfs/dbraw/zinc/61/11/11/594611111.db2.gz TWIMJOSADDOPHG-FHWLQOOXSA-N 2 1 345.487 1.910 20 0 EDADMP CC[C@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000831342041 594611112 /nfs/dbraw/zinc/61/11/12/594611112.db2.gz TWIMJOSADDOPHG-FHWLQOOXSA-N 2 1 345.487 1.910 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000827251180 594656361 /nfs/dbraw/zinc/65/63/61/594656361.db2.gz WCZGMQGFUMJMIM-INIZCTEOSA-N 2 1 332.448 1.146 20 0 EDADMP CCO[C@@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)C[NH+](C)C ZINC000831752336 594699467 /nfs/dbraw/zinc/69/94/67/594699467.db2.gz XTEPYGOVLQNBHP-QAPCUYQASA-N 2 1 333.476 1.516 20 0 EDADMP CCO[C@@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)C[NH+](C)C ZINC000831752336 594699468 /nfs/dbraw/zinc/69/94/68/594699468.db2.gz XTEPYGOVLQNBHP-QAPCUYQASA-N 2 1 333.476 1.516 20 0 EDADMP Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)nn1 ZINC000840874217 594823480 /nfs/dbraw/zinc/82/34/80/594823480.db2.gz XLQBNNPBHVCSBS-MRXNPFEDSA-N 2 1 331.489 1.925 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)c1 ZINC000841050430 594844508 /nfs/dbraw/zinc/84/45/08/594844508.db2.gz GYMISHBDVQKDDK-CQSZACIVSA-N 2 1 332.448 1.335 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)CCCn3cc[nH+]c3C)CC2)c1 ZINC000104520654 594966036 /nfs/dbraw/zinc/96/60/36/594966036.db2.gz UHGAQYKCNTVERH-UHFFFAOYSA-N 2 1 343.431 1.724 20 0 EDADMP C[C@@H]1CN(C(=O)NCCCCCCC[NH+](C)C)[C@@H](C)C[N@H+]1CCO ZINC000842177758 595029771 /nfs/dbraw/zinc/02/97/71/595029771.db2.gz JDQDQSNMZGBDHI-SJORKVTESA-N 2 1 342.528 1.595 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc(CC4CC[NH2+]CC4)n3)cn2)CC1 ZINC000843199355 595031113 /nfs/dbraw/zinc/03/11/13/595031113.db2.gz UBJREITWPKQMME-UHFFFAOYSA-N 2 1 342.447 1.426 20 0 EDADMP O=C1[C@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCN1C1CCOCC1 ZINC000843386039 595096174 /nfs/dbraw/zinc/09/61/74/595096174.db2.gz BIKBHBADZIHIHL-XYJFISCASA-N 2 1 335.492 1.478 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC000842472339 595113688 /nfs/dbraw/zinc/11/36/88/595113688.db2.gz CWHGUACIRKOPLJ-OAHLLOKOSA-N 2 1 341.477 1.494 20 0 EDADMP C[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843494060 595129936 /nfs/dbraw/zinc/12/99/36/595129936.db2.gz IFWIYPCRSVDKRG-QXAKKESOSA-N 2 1 345.487 1.782 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000844168169 595289189 /nfs/dbraw/zinc/28/91/89/595289189.db2.gz OOQAPRLAAXBVMG-IAGOWNOFSA-N 2 1 341.496 1.008 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)c1cc(C)cc(C)c1)C2 ZINC000843113804 595289555 /nfs/dbraw/zinc/28/95/55/595289555.db2.gz PARWXDPKZKYCPT-XLIONFOSSA-N 2 1 343.471 1.981 20 0 EDADMP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000844176017 595292992 /nfs/dbraw/zinc/29/29/92/595292992.db2.gz PLJMIOQBZGGEHH-GOSISDBHSA-N 2 1 337.508 1.870 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000844187672 595297003 /nfs/dbraw/zinc/29/70/03/595297003.db2.gz MUSSALSBTHRIBE-ZACQAIPSSA-N 2 1 341.496 1.008 20 0 EDADMP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000846674360 595298646 /nfs/dbraw/zinc/29/86/46/595298646.db2.gz NDQPFDJSCCCBQK-QGZVFWFLSA-N 3 1 333.480 1.046 20 0 EDADMP C[NH+](C)CCOc1ccc(-c2noc(C[NH2+]C[C@H]3CCCO3)n2)cc1 ZINC000843178604 595300100 /nfs/dbraw/zinc/30/01/00/595300100.db2.gz VUVZIXVVMOCJQY-MRXNPFEDSA-N 2 1 346.431 1.946 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844222939 595307123 /nfs/dbraw/zinc/30/71/23/595307123.db2.gz NTKKJCNOYSTNIT-JKSUJKDBSA-N 2 1 346.475 1.521 20 0 EDADMP C[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1(C[NH3+])CCC1 ZINC000844226088 595309557 /nfs/dbraw/zinc/30/95/57/595309557.db2.gz ZTSVTSHPBVGWBV-UHFFFAOYSA-N 2 1 346.475 1.665 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1(C[NH3+])CCC1 ZINC000844226088 595309558 /nfs/dbraw/zinc/30/95/58/595309558.db2.gz ZTSVTSHPBVGWBV-UHFFFAOYSA-N 2 1 346.475 1.665 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@H](C)OC3=O)CC2)CC1 ZINC000848073025 595315172 /nfs/dbraw/zinc/31/51/72/595315172.db2.gz IBMXXBOEKZQOAI-BBRMVZONSA-N 2 1 337.464 1.003 20 0 EDADMP C[C@H]1C[N@H+](CC2(Br)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000846841983 595325542 /nfs/dbraw/zinc/32/55/42/595325542.db2.gz QUURKBPXHLEBTK-UONOGXRCSA-N 2 1 330.314 1.872 20 0 EDADMP C[C@H]1C[N@@H+](CC2(Br)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000846841983 595325545 /nfs/dbraw/zinc/32/55/45/595325545.db2.gz QUURKBPXHLEBTK-UONOGXRCSA-N 2 1 330.314 1.872 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3=NC[C@@H](C)S3)CC2)CC1 ZINC000848233371 595343637 /nfs/dbraw/zinc/34/36/37/595343637.db2.gz OMXRNEQYTUSLLM-CYBMUJFWSA-N 2 1 338.521 1.790 20 0 EDADMP COC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000848523991 595402659 /nfs/dbraw/zinc/40/26/59/595402659.db2.gz BXFNHHNREWBSAW-HOTGVXAUSA-N 2 1 325.453 1.450 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848596008 595413853 /nfs/dbraw/zinc/41/38/53/595413853.db2.gz QQEZNIVXFUZCBF-LLVKDONJSA-N 2 1 342.325 1.265 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NOCC(F)(F)F)CC2)CC1 ZINC000847588332 595453257 /nfs/dbraw/zinc/45/32/57/595453257.db2.gz MDPSXOLKQAQEEB-UHFFFAOYSA-N 2 1 337.386 1.793 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-n2ccnc2)cc1 ZINC000849064288 595477012 /nfs/dbraw/zinc/47/70/12/595477012.db2.gz MBVVMTCFCHFVJJ-KRWDZBQOSA-N 2 1 326.448 1.971 20 0 EDADMP C[N@@H+](CCOc1cccc(CNC(=[NH2+])N2CCC2)c1)C1CCOCC1 ZINC000849111972 595483917 /nfs/dbraw/zinc/48/39/17/595483917.db2.gz OAWGVGMNAZYDSS-UHFFFAOYSA-N 2 1 346.475 1.906 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@H+](CCCNC(=O)C(F)(F)F)CCO1 ZINC000852760608 595531430 /nfs/dbraw/zinc/53/14/30/595531430.db2.gz JLKVGMDXFLYFHD-LBPRGKRZSA-N 2 1 325.375 1.098 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)CCO1 ZINC000852760608 595531431 /nfs/dbraw/zinc/53/14/31/595531431.db2.gz JLKVGMDXFLYFHD-LBPRGKRZSA-N 2 1 325.375 1.098 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849508982 595553984 /nfs/dbraw/zinc/55/39/84/595553984.db2.gz KMZLHKSVACKLFX-QZTJIDSGSA-N 2 1 347.507 1.304 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849509897 595554613 /nfs/dbraw/zinc/55/46/13/595554613.db2.gz GIDCOTZGVBYTHT-KBAYOESNSA-N 2 1 347.507 1.302 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849509897 595554615 /nfs/dbraw/zinc/55/46/15/595554615.db2.gz GIDCOTZGVBYTHT-KBAYOESNSA-N 2 1 347.507 1.302 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849509897 595554618 /nfs/dbraw/zinc/55/46/18/595554618.db2.gz GIDCOTZGVBYTHT-KBAYOESNSA-N 2 1 347.507 1.302 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849552935 595563397 /nfs/dbraw/zinc/56/33/97/595563397.db2.gz PGMFMPHXCJMFJT-KSZLIROESA-N 2 1 347.507 1.254 20 0 EDADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849552935 595563401 /nfs/dbraw/zinc/56/34/01/595563401.db2.gz PGMFMPHXCJMFJT-KSZLIROESA-N 2 1 347.507 1.254 20 0 EDADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849552935 595563403 /nfs/dbraw/zinc/56/34/03/595563403.db2.gz PGMFMPHXCJMFJT-KSZLIROESA-N 2 1 347.507 1.254 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852858279 595580070 /nfs/dbraw/zinc/58/00/70/595580070.db2.gz WUKTWTQECWADQZ-RHSMWYFYSA-N 2 1 344.459 1.781 20 0 EDADMP [NH3+]C[C@H]1CC(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)=NO1 ZINC000852862886 595583782 /nfs/dbraw/zinc/58/37/82/595583782.db2.gz MGWZIVTZSANXFJ-CHWSQXEVSA-N 2 1 336.461 1.180 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852870531 595590054 /nfs/dbraw/zinc/59/00/54/595590054.db2.gz DGWXDCIJHKGPDA-KBMXLJTQSA-N 2 1 330.432 1.117 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)Cn3c[nH+]cc3C)CC2)c1 ZINC000858652997 595856045 /nfs/dbraw/zinc/85/60/45/595856045.db2.gz ICONROUBMKCGRH-UHFFFAOYSA-N 2 1 342.443 1.981 20 0 EDADMP COCC[NH+]1CCC[C@H]1COC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000861037872 595873607 /nfs/dbraw/zinc/87/36/07/595873607.db2.gz NJCSANGNCMIITP-WMLDXEAASA-N 2 1 330.444 1.853 20 0 EDADMP COCC[N@H+]1CCC[C@H]1COC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000861037872 595873603 /nfs/dbraw/zinc/87/36/03/595873603.db2.gz NJCSANGNCMIITP-WMLDXEAASA-N 2 1 330.444 1.853 20 0 EDADMP COCC[NH+]1CCC[C@H]1COC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000861037872 595873605 /nfs/dbraw/zinc/87/36/05/595873605.db2.gz NJCSANGNCMIITP-WMLDXEAASA-N 2 1 330.444 1.853 20 0 EDADMP C[N@H+](CCN1CC[NH+](C[C@@H]2CCC(=O)O2)CC1)Cc1ccccc1 ZINC000851764893 595914697 /nfs/dbraw/zinc/91/46/97/595914697.db2.gz NTEFHRGDJMFJHU-SFHVURJKSA-N 2 1 331.460 1.442 20 0 EDADMP C[N@@H+](CCN1CC[NH+](C[C@@H]2CCC(=O)O2)CC1)Cc1ccccc1 ZINC000851764893 595914701 /nfs/dbraw/zinc/91/47/01/595914701.db2.gz NTEFHRGDJMFJHU-SFHVURJKSA-N 2 1 331.460 1.442 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(-c3noc(CC4([NH3+])CC4)n3)cc2)CC1 ZINC000854145748 595989650 /nfs/dbraw/zinc/98/96/50/595989650.db2.gz XJZNAWGJZDRHCE-UHFFFAOYSA-N 2 1 341.415 1.158 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000859215578 596006820 /nfs/dbraw/zinc/00/68/20/596006820.db2.gz KSBWANDICVFEMM-HOTGVXAUSA-N 2 1 333.476 1.816 20 0 EDADMP C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000859215578 596006822 /nfs/dbraw/zinc/00/68/22/596006822.db2.gz KSBWANDICVFEMM-HOTGVXAUSA-N 2 1 333.476 1.816 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC(=O)N(C)C)C2)ccn1 ZINC000856584229 596021720 /nfs/dbraw/zinc/02/17/20/596021720.db2.gz FNFKWNZPLBPTHW-QGZVFWFLSA-N 2 1 334.464 1.465 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC(=O)N(C)C)C2)ccn1 ZINC000856584229 596021726 /nfs/dbraw/zinc/02/17/26/596021726.db2.gz FNFKWNZPLBPTHW-QGZVFWFLSA-N 2 1 334.464 1.465 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC(=O)N(C)C)C2)ccn1 ZINC000856584229 596021729 /nfs/dbraw/zinc/02/17/29/596021729.db2.gz FNFKWNZPLBPTHW-QGZVFWFLSA-N 2 1 334.464 1.465 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000861565555 596031026 /nfs/dbraw/zinc/03/10/26/596031026.db2.gz XMGJSDYRKJYZDD-LSDHHAIUSA-N 2 1 328.420 1.515 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H]3CCCNC3=O)C2)ccn1 ZINC000856604432 596032346 /nfs/dbraw/zinc/03/23/46/596032346.db2.gz WWBANGHKEQZMMX-ZWKOTPCHSA-N 2 1 346.475 1.654 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)ccn1 ZINC000856604432 596032351 /nfs/dbraw/zinc/03/23/51/596032351.db2.gz WWBANGHKEQZMMX-ZWKOTPCHSA-N 2 1 346.475 1.654 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)ccn1 ZINC000856604432 596032357 /nfs/dbraw/zinc/03/23/57/596032357.db2.gz WWBANGHKEQZMMX-ZWKOTPCHSA-N 2 1 346.475 1.654 20 0 EDADMP CC(C)n1cc(C2=CCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)CC2)nn1 ZINC000852134438 596057136 /nfs/dbraw/zinc/05/71/36/596057136.db2.gz ZPGWZWJEYAVVED-KRWDZBQOSA-N 2 1 333.480 1.795 20 0 EDADMP CC(C)n1cc(C2=CCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)CC2)nn1 ZINC000852134438 596057141 /nfs/dbraw/zinc/05/71/41/596057141.db2.gz ZPGWZWJEYAVVED-KRWDZBQOSA-N 2 1 333.480 1.795 20 0 EDADMP CC(C)(C)OC(=O)N1[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)COC1(C)C ZINC000862253490 596288027 /nfs/dbraw/zinc/28/80/27/596288027.db2.gz RQVVMDKXEPJEGR-HZSPNIEDSA-N 2 1 325.453 1.510 20 0 EDADMP CC(C)(C)OC(=O)N1[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)COC1(C)C ZINC000862253490 596288030 /nfs/dbraw/zinc/28/80/30/596288030.db2.gz RQVVMDKXEPJEGR-HZSPNIEDSA-N 2 1 325.453 1.510 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000866704193 596301315 /nfs/dbraw/zinc/30/13/15/596301315.db2.gz RRDZRKYRMHEKJL-IBGZPJMESA-N 2 1 346.475 1.709 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000866704193 596301317 /nfs/dbraw/zinc/30/13/17/596301317.db2.gz RRDZRKYRMHEKJL-IBGZPJMESA-N 2 1 346.475 1.709 20 0 EDADMP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866706323 596301615 /nfs/dbraw/zinc/30/16/15/596301615.db2.gz HIHDXFCVBWGFLO-SFHVURJKSA-N 2 1 339.480 1.095 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710970 596303795 /nfs/dbraw/zinc/30/37/95/596303795.db2.gz YLVLQPGCEJFKNN-MTSZKFMLSA-N 2 1 337.464 1.449 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000866711334 596305156 /nfs/dbraw/zinc/30/51/56/596305156.db2.gz IGOBIUQRJBOVSQ-OKZBNKHCSA-N 2 1 327.428 1.931 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000870865767 596382472 /nfs/dbraw/zinc/38/24/72/596382472.db2.gz IIWPAKPGERWFQB-GJYPPUQNSA-N 2 1 328.460 1.500 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000870881166 596388200 /nfs/dbraw/zinc/38/82/00/596388200.db2.gz GSJCCCWYZAHOKP-PNYFIKQUSA-N 2 1 327.472 1.795 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870907497 596398932 /nfs/dbraw/zinc/39/89/32/596398932.db2.gz WSNAKSDRRNSTNM-RISCZKNCSA-N 2 1 334.489 1.823 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870919801 596404969 /nfs/dbraw/zinc/40/49/69/596404969.db2.gz HZNWMFHDVVHIJE-BXUZGUMPSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000870969519 596421576 /nfs/dbraw/zinc/42/15/76/596421576.db2.gz DESIJIZKIROKKY-DNUAJFIVSA-N 2 1 331.460 1.763 20 0 EDADMP CCOC1CC2(C[C@H]2C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000869237562 596456912 /nfs/dbraw/zinc/45/69/12/596456912.db2.gz USMIDRXPWNLXTC-VUGNNNGISA-N 2 1 325.497 1.580 20 0 EDADMP CCOC1CC2(C[C@H]2C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000869237562 596456915 /nfs/dbraw/zinc/45/69/15/596456915.db2.gz USMIDRXPWNLXTC-VUGNNNGISA-N 2 1 325.497 1.580 20 0 EDADMP Cn1ncc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cnc21 ZINC000865496348 596591403 /nfs/dbraw/zinc/59/14/03/596591403.db2.gz VIQSXBZUXXCXNG-SJORKVTESA-N 2 1 329.448 1.436 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)[C@H](C)C1 ZINC000868180863 596713938 /nfs/dbraw/zinc/71/39/38/596713938.db2.gz UPNDRRXMIAHBQT-OSRSDYAFSA-N 2 1 332.448 1.420 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)NCc3nccn3CC(F)(F)F)CC[C@H]21 ZINC000868219958 596731646 /nfs/dbraw/zinc/73/16/46/596731646.db2.gz ODAGHHQMZDIFJO-NWDGAFQWSA-N 2 1 345.369 1.681 20 0 EDADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868230528 596736911 /nfs/dbraw/zinc/73/69/11/596736911.db2.gz GEAXNQRVPLGSDV-BBWFWOEESA-N 2 1 344.459 1.238 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868230528 596736912 /nfs/dbraw/zinc/73/69/12/596736912.db2.gz GEAXNQRVPLGSDV-BBWFWOEESA-N 2 1 344.459 1.238 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000864055728 596746557 /nfs/dbraw/zinc/74/65/57/596746557.db2.gz WRYIVASOESMEMW-JONQDZQNSA-N 2 1 340.512 1.562 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000864055728 596746559 /nfs/dbraw/zinc/74/65/59/596746559.db2.gz WRYIVASOESMEMW-JONQDZQNSA-N 2 1 340.512 1.562 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC000868353410 596797344 /nfs/dbraw/zinc/79/73/44/596797344.db2.gz AURMNSUNNFULFV-QGZVFWFLSA-N 2 1 334.464 1.441 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC000868353410 596797345 /nfs/dbraw/zinc/79/73/45/596797345.db2.gz AURMNSUNNFULFV-QGZVFWFLSA-N 2 1 334.464 1.441 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000868353410 596797347 /nfs/dbraw/zinc/79/73/47/596797347.db2.gz AURMNSUNNFULFV-QGZVFWFLSA-N 2 1 334.464 1.441 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000868353410 596797349 /nfs/dbraw/zinc/79/73/49/596797349.db2.gz AURMNSUNNFULFV-QGZVFWFLSA-N 2 1 334.464 1.441 20 0 EDADMP CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156188 596815938 /nfs/dbraw/zinc/81/59/38/596815938.db2.gz GAQCZOJMDPXHBM-WBVHZDCISA-N 2 1 345.553 1.888 20 0 EDADMP CCOc1cccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872255431 596856571 /nfs/dbraw/zinc/85/65/71/596856571.db2.gz WWRGKUZKBHMMCF-OIISXLGYSA-N 2 1 331.416 1.452 20 0 EDADMP CC(=O)OC1CC[NH+](CCC[NH+]2CCC(OC(C)=O)CC2)CC1 ZINC000121004442 596856903 /nfs/dbraw/zinc/85/69/03/596856903.db2.gz ALFQXUYMDYOLQQ-UHFFFAOYSA-N 2 1 326.437 1.432 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872278421 596865368 /nfs/dbraw/zinc/86/53/68/596865368.db2.gz PUXNFQAFZWQYSW-CVEARBPZSA-N 2 1 338.496 1.001 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@H+]1CCOC ZINC000872302101 596873811 /nfs/dbraw/zinc/87/38/11/596873811.db2.gz OMYNJZYCQCZCII-BBWFWOEESA-N 2 1 325.497 1.853 20 0 EDADMP COCC[N@H+](CC1CC[NH+](C)CC1)CN1CC[C@H](C(C)C)C1=O ZINC000872634030 597001743 /nfs/dbraw/zinc/00/17/43/597001743.db2.gz SOPILDOIHKKRTF-QGZVFWFLSA-N 2 1 325.497 1.739 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CN1CC[C@H](C(C)C)C1=O ZINC000872634030 597001747 /nfs/dbraw/zinc/00/17/47/597001747.db2.gz SOPILDOIHKKRTF-QGZVFWFLSA-N 2 1 325.497 1.739 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+](C)C)C1 ZINC000876089548 597084888 /nfs/dbraw/zinc/08/48/88/597084888.db2.gz PIGQWUKMMAJVNZ-KRWDZBQOSA-N 2 1 334.464 1.057 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+](C)C)C1 ZINC000876089548 597084889 /nfs/dbraw/zinc/08/48/89/597084889.db2.gz PIGQWUKMMAJVNZ-KRWDZBQOSA-N 2 1 334.464 1.057 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876713002 597300540 /nfs/dbraw/zinc/30/05/40/597300540.db2.gz WPUCAVQBKRHPSI-IAGOWNOFSA-N 2 1 335.423 1.083 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)cn1 ZINC000876721003 597304999 /nfs/dbraw/zinc/30/49/99/597304999.db2.gz OPUDPIIDHQQYEU-KEDPEKRHSA-N 2 1 325.416 1.748 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000876723018 597305920 /nfs/dbraw/zinc/30/59/20/597305920.db2.gz KSLMXIURWOHWOP-GDBMZVCRSA-N 2 1 333.480 1.578 20 0 EDADMP C[C@H](CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000876782654 597338431 /nfs/dbraw/zinc/33/84/31/597338431.db2.gz YDGQOZBCZVDBCV-JFIYKMOQSA-N 2 1 348.466 1.261 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@@]3(C)C[NH2+]CCO3)cc2)CC1 ZINC000876782723 597338557 /nfs/dbraw/zinc/33/85/57/597338557.db2.gz UGCCRKICNPGGGE-GOSISDBHSA-N 2 1 332.448 1.146 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)(N2CCCCC2)CC1 ZINC000876784998 597339474 /nfs/dbraw/zinc/33/94/74/597339474.db2.gz NJPCQJFJUXBVIG-XLIONFOSSA-N 2 1 348.535 1.585 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCC[N@H+](C)CC(C)C ZINC000876944398 597392389 /nfs/dbraw/zinc/39/23/89/597392389.db2.gz PEWVBYBZBDCVRP-MRXNPFEDSA-N 2 1 335.496 1.824 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000877229428 597468874 /nfs/dbraw/zinc/46/88/74/597468874.db2.gz MIDWVGGPMJIADX-SQNIBIBYSA-N 2 1 345.487 1.685 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000877229428 597468877 /nfs/dbraw/zinc/46/88/77/597468877.db2.gz MIDWVGGPMJIADX-SQNIBIBYSA-N 2 1 345.487 1.685 20 0 EDADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000877247742 597478268 /nfs/dbraw/zinc/47/82/68/597478268.db2.gz WIQKZIHIBDQQJM-OKZBNKHCSA-N 2 1 331.460 1.521 20 0 EDADMP COCCC1(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000877268341 597484112 /nfs/dbraw/zinc/48/41/12/597484112.db2.gz AQHKUFCMUDWEHD-SFHVURJKSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@@]12CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877352132 597498829 /nfs/dbraw/zinc/49/88/29/597498829.db2.gz BOZKBWUBAQEFPJ-IHEQNBGGSA-N 2 1 325.456 1.717 20 0 EDADMP CN(CCCCCC[NH3+])C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000877439792 597515802 /nfs/dbraw/zinc/51/58/02/597515802.db2.gz UFAVJBDLHZUCMF-UHFFFAOYSA-N 2 1 346.519 1.782 20 0 EDADMP [NH3+][C@H](C[C@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1)C1CCCC1 ZINC000877451905 597517413 /nfs/dbraw/zinc/51/74/13/597517413.db2.gz MUBQWTFISYRRHJ-CZUORRHYSA-N 2 1 345.491 1.815 20 0 EDADMP Cc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)nc1Cl ZINC000878229948 597588397 /nfs/dbraw/zinc/58/83/97/597588397.db2.gz BACSHFHPKOVEPZ-UHFFFAOYSA-N 2 1 338.883 1.933 20 0 EDADMP CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878280889 597592261 /nfs/dbraw/zinc/59/22/61/597592261.db2.gz UUCZSEBNRQWINN-OAHLLOKOSA-N 2 1 348.495 1.249 20 0 EDADMP CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878280889 597592262 /nfs/dbraw/zinc/59/22/62/597592262.db2.gz UUCZSEBNRQWINN-OAHLLOKOSA-N 2 1 348.495 1.249 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H](O)c3ccccc3Cl)nn2)CC1 ZINC000881423512 597613032 /nfs/dbraw/zinc/61/30/32/597613032.db2.gz ANRYQHDQMBSKCQ-KRWDZBQOSA-N 2 1 349.866 1.631 20 0 EDADMP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000878543808 597629639 /nfs/dbraw/zinc/62/96/39/597629639.db2.gz CRKVOPDMPQLUBT-MRXNPFEDSA-N 2 1 349.475 1.658 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)CC1 ZINC000878552760 597632602 /nfs/dbraw/zinc/63/26/02/597632602.db2.gz BODHQXLRVPZICE-GUXCAODWSA-N 2 1 349.519 1.866 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)CC1 ZINC000878552760 597632605 /nfs/dbraw/zinc/63/26/05/597632605.db2.gz BODHQXLRVPZICE-GUXCAODWSA-N 2 1 349.519 1.866 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879566424 597634534 /nfs/dbraw/zinc/63/45/34/597634534.db2.gz GATCJOGKRIRLIY-LZLYRXPVSA-N 2 1 348.443 1.239 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879566424 597634537 /nfs/dbraw/zinc/63/45/37/597634537.db2.gz GATCJOGKRIRLIY-LZLYRXPVSA-N 2 1 348.443 1.239 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879566424 597634541 /nfs/dbraw/zinc/63/45/41/597634541.db2.gz GATCJOGKRIRLIY-LZLYRXPVSA-N 2 1 348.443 1.239 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000879566424 597634544 /nfs/dbraw/zinc/63/45/44/597634544.db2.gz GATCJOGKRIRLIY-LZLYRXPVSA-N 2 1 348.443 1.239 20 0 EDADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000879703345 597695422 /nfs/dbraw/zinc/69/54/22/597695422.db2.gz JCHZGXPFBBMICD-HXUWFJFHSA-N 2 1 347.503 1.659 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000883300782 597706485 /nfs/dbraw/zinc/70/64/85/597706485.db2.gz HMGOAGIFPRKCJM-ILXRZTDVSA-N 2 1 343.537 1.699 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC000883496956 597776511 /nfs/dbraw/zinc/77/65/11/597776511.db2.gz GRLINWAUIFTQCL-MRXNPFEDSA-N 2 1 346.479 1.456 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000883496956 597776517 /nfs/dbraw/zinc/77/65/17/597776517.db2.gz GRLINWAUIFTQCL-MRXNPFEDSA-N 2 1 346.479 1.456 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)nc1 ZINC000880097765 597840685 /nfs/dbraw/zinc/84/06/85/597840685.db2.gz CIICJITXEQGWBJ-GFCCVEGCSA-N 2 1 344.381 1.915 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000883653077 597849071 /nfs/dbraw/zinc/84/90/71/597849071.db2.gz KWZZRQPYULGRII-HNNXBMFYSA-N 2 1 338.496 1.049 20 0 EDADMP CC(C)(O)[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@@H](C(C)(C)O)C3)COC2)C1 ZINC000880148057 597857469 /nfs/dbraw/zinc/85/74/69/597857469.db2.gz PXLSAPLZUWLYSS-HZPDHXFCSA-N 2 1 340.508 1.189 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000880260416 597885435 /nfs/dbraw/zinc/88/54/35/597885435.db2.gz DFLGLAINXOFNKP-NVXWUHKLSA-N 2 1 335.448 1.149 20 0 EDADMP COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000880565202 597965690 /nfs/dbraw/zinc/96/56/90/597965690.db2.gz IZZJEEOGKSMLML-LJQANCHMSA-N 2 1 332.444 1.782 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000884195261 598023265 /nfs/dbraw/zinc/02/32/65/598023265.db2.gz HRLHHVUMOPFHHN-AWEZNQCLSA-N 2 1 330.432 1.856 20 0 EDADMP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000884208353 598029520 /nfs/dbraw/zinc/02/95/20/598029520.db2.gz XRLHNXUDXWMOFX-DJIMGWMZSA-N 2 1 343.427 1.282 20 0 EDADMP COCC[C@H]([NH3+])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000884218244 598032565 /nfs/dbraw/zinc/03/25/65/598032565.db2.gz IZAPOBAZLVLPCC-HNNXBMFYSA-N 2 1 341.496 1.280 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884231937 598038467 /nfs/dbraw/zinc/03/84/67/598038467.db2.gz DZQVEAHBONARTQ-SJORKVTESA-N 2 1 343.475 1.190 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884424567 598101594 /nfs/dbraw/zinc/10/15/94/598101594.db2.gz AROPHMMYXIDZMN-UHFFFAOYSA-N 2 1 333.480 1.341 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825390447 607509328 /nfs/dbraw/zinc/50/93/28/607509328.db2.gz FGDQTJKQWSFWGX-CQSZACIVSA-N 2 1 330.436 1.649 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825390447 607509329 /nfs/dbraw/zinc/50/93/29/607509329.db2.gz FGDQTJKQWSFWGX-CQSZACIVSA-N 2 1 330.436 1.649 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825390447 607509331 /nfs/dbraw/zinc/50/93/31/607509331.db2.gz FGDQTJKQWSFWGX-CQSZACIVSA-N 2 1 330.436 1.649 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825390447 607509333 /nfs/dbraw/zinc/50/93/33/607509333.db2.gz FGDQTJKQWSFWGX-CQSZACIVSA-N 2 1 330.436 1.649 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001040747092 695241697 /nfs/dbraw/zinc/24/16/97/695241697.db2.gz LMPDHCUOJRQHPF-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[N@H+]1C ZINC000914191664 695267344 /nfs/dbraw/zinc/26/73/44/695267344.db2.gz BVGYNWGEHIRWGO-GJZGRUSLSA-N 2 1 340.537 1.740 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000914219622 695283440 /nfs/dbraw/zinc/28/34/40/695283440.db2.gz YQJOUVPWDJLNEY-KLHDSHLOSA-N 2 1 338.521 1.492 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914219622 695283442 /nfs/dbraw/zinc/28/34/42/695283442.db2.gz YQJOUVPWDJLNEY-KLHDSHLOSA-N 2 1 338.521 1.492 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000914268303 695319092 /nfs/dbraw/zinc/31/90/92/695319092.db2.gz WPUGWNLBXDYZBH-ZACQAIPSSA-N 2 1 341.521 1.218 20 0 EDADMP C[NH+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000914268303 695319095 /nfs/dbraw/zinc/31/90/95/695319095.db2.gz WPUGWNLBXDYZBH-ZACQAIPSSA-N 2 1 341.521 1.218 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000914316223 695353421 /nfs/dbraw/zinc/35/34/21/695353421.db2.gz MPBREKCJONWMJA-KKUMJFAQSA-N 2 1 326.510 1.350 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000914316223 695353423 /nfs/dbraw/zinc/35/34/23/695353423.db2.gz MPBREKCJONWMJA-KKUMJFAQSA-N 2 1 326.510 1.350 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000914316223 695353425 /nfs/dbraw/zinc/35/34/25/695353425.db2.gz MPBREKCJONWMJA-KKUMJFAQSA-N 2 1 326.510 1.350 20 0 EDADMP C[C@H](CCNS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)[NH+]1CCCCC1 ZINC000914361099 695374124 /nfs/dbraw/zinc/37/41/24/695374124.db2.gz GICGWQFOUMRSMA-SJORKVTESA-N 2 1 343.537 1.656 20 0 EDADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001031260065 696066931 /nfs/dbraw/zinc/06/69/31/696066931.db2.gz KWVMKLYMQIICOY-MJGOQNOKSA-N 2 1 345.487 1.386 20 0 EDADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001031260065 696066933 /nfs/dbraw/zinc/06/69/33/696066933.db2.gz KWVMKLYMQIICOY-MJGOQNOKSA-N 2 1 345.487 1.386 20 0 EDADMP C[C@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000993559650 696243124 /nfs/dbraw/zinc/24/31/24/696243124.db2.gz BKZAFLNJDBAWMB-DOTOQJQBSA-N 2 1 345.491 1.518 20 0 EDADMP C[C@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@H+]1Cc1cnn(C)c1 ZINC000993559650 696243125 /nfs/dbraw/zinc/24/31/25/696243125.db2.gz BKZAFLNJDBAWMB-DOTOQJQBSA-N 2 1 345.491 1.518 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CCc1cnn(C)c1 ZINC000993759474 696352323 /nfs/dbraw/zinc/35/23/23/696352323.db2.gz LHSNJUIKJXPZCX-CRAIPNDOSA-N 2 1 347.507 1.274 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCn3cccn3)[C@@H]2C)CC1 ZINC000994081792 696516568 /nfs/dbraw/zinc/51/65/68/696516568.db2.gz PVOVFCILJDNRKF-MSOLQXFVSA-N 2 1 347.507 1.584 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=S)NCCC[NH+]1CCOCC1 ZINC000916008564 696610988 /nfs/dbraw/zinc/61/09/88/696610988.db2.gz MMDZXDAYFKOTRA-OAHLLOKOSA-N 2 1 328.526 1.047 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(C)o1 ZINC000940008241 700109919 /nfs/dbraw/zinc/10/99/19/700109919.db2.gz FWYBUTCKNOCCER-INIZCTEOSA-N 2 1 334.464 1.856 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000916836246 696794510 /nfs/dbraw/zinc/79/45/10/696794510.db2.gz JVHDBFMISWBUIF-OWCLPIDISA-N 2 1 340.537 1.597 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000916836246 696794511 /nfs/dbraw/zinc/79/45/11/696794511.db2.gz JVHDBFMISWBUIF-OWCLPIDISA-N 2 1 340.537 1.597 20 0 EDADMP CCc1nocc1CN1CCC[C@@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994406816 696830340 /nfs/dbraw/zinc/83/03/40/696830340.db2.gz KVRYWBOFNNWSEN-RHSMWYFYSA-N 2 1 334.464 1.802 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCn2cccn2)[C@@H]1C ZINC000994420251 696849043 /nfs/dbraw/zinc/84/90/43/696849043.db2.gz JYEGSOATEQAEMU-ZBFHGGJFSA-N 2 1 330.436 1.057 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCn2cccn2)[C@@H]1C ZINC000994420251 696849047 /nfs/dbraw/zinc/84/90/47/696849047.db2.gz JYEGSOATEQAEMU-ZBFHGGJFSA-N 2 1 330.436 1.057 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994489180 696931310 /nfs/dbraw/zinc/93/13/10/696931310.db2.gz TXFSSSZCJNMVNY-MAUKXSAKSA-N 2 1 333.476 1.977 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000917973452 697116782 /nfs/dbraw/zinc/11/67/82/697116782.db2.gz YURQTWNYSKKIKC-KRWDZBQOSA-N 2 1 346.475 1.665 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=S)NCCCN1CCOCC1 ZINC000920073586 697390954 /nfs/dbraw/zinc/39/09/54/697390954.db2.gz KLEMFOYEFSRDDY-CVEARBPZSA-N 2 1 342.553 1.293 20 0 EDADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=S)NCCC[NH+]1CCOCC1 ZINC000920073586 697390957 /nfs/dbraw/zinc/39/09/57/697390957.db2.gz KLEMFOYEFSRDDY-CVEARBPZSA-N 2 1 342.553 1.293 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=S)NCCC[NH+]1CCOCC1 ZINC000920073586 697390959 /nfs/dbraw/zinc/39/09/59/697390959.db2.gz KLEMFOYEFSRDDY-CVEARBPZSA-N 2 1 342.553 1.293 20 0 EDADMP COc1cc(CN2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sn1 ZINC001031682535 697502841 /nfs/dbraw/zinc/50/28/41/697502841.db2.gz OBLMLAUGZJDGHK-BXUZGUMPSA-N 2 1 338.477 1.040 20 0 EDADMP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1C ZINC001031681573 697505117 /nfs/dbraw/zinc/50/51/17/697505117.db2.gz YUIIJTBHVVXAGT-CRAIPNDOSA-N 2 1 345.487 1.892 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001031686429 697516756 /nfs/dbraw/zinc/51/67/56/697516756.db2.gz NZWTXPLNKXJCNE-DOTOQJQBSA-N 2 1 348.491 1.824 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001031686429 697516758 /nfs/dbraw/zinc/51/67/58/697516758.db2.gz NZWTXPLNKXJCNE-DOTOQJQBSA-N 2 1 348.491 1.824 20 0 EDADMP Cc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)c1 ZINC001031688862 697527541 /nfs/dbraw/zinc/52/75/41/697527541.db2.gz MUDSRSFJVITTLL-RBUKOAKNSA-N 2 1 343.471 1.406 20 0 EDADMP Cc1cccc(NCCNC(=O)NC[C@]2([NH+](C)C)CCSC2)[nH+]1 ZINC000921312354 697554914 /nfs/dbraw/zinc/55/49/14/697554914.db2.gz YXPNDXSNRPPIMR-MRXNPFEDSA-N 2 1 337.493 1.538 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1nc(CN(C)C)cs1 ZINC000921434949 697611141 /nfs/dbraw/zinc/61/11/41/697611141.db2.gz RNCIQICONSTIKP-FZMZJTMJSA-N 2 1 337.493 1.487 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001031713748 697735564 /nfs/dbraw/zinc/73/55/64/697735564.db2.gz DXRXGQRPSQAGSC-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031730015 698064330 /nfs/dbraw/zinc/06/43/30/698064330.db2.gz YYGCVSZTRANWFA-INIZCTEOSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031730015 698064335 /nfs/dbraw/zinc/06/43/35/698064335.db2.gz YYGCVSZTRANWFA-INIZCTEOSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031728925 698074108 /nfs/dbraw/zinc/07/41/08/698074108.db2.gz DAIJHXGYIXBBGN-LJQANCHMSA-N 2 1 344.503 1.916 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031728925 698074110 /nfs/dbraw/zinc/07/41/10/698074110.db2.gz DAIJHXGYIXBBGN-LJQANCHMSA-N 2 1 344.503 1.916 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccn(C)n2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943334224 698150930 /nfs/dbraw/zinc/15/09/30/698150930.db2.gz MVCNOMIHODQNIR-MAUKXSAKSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943334224 698150932 /nfs/dbraw/zinc/15/09/32/698150932.db2.gz MVCNOMIHODQNIR-MAUKXSAKSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001031766086 699055531 /nfs/dbraw/zinc/05/55/31/699055531.db2.gz AXLZGGZRSZAYJU-ZWKOTPCHSA-N 2 1 345.491 1.028 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031766387 699061864 /nfs/dbraw/zinc/06/18/64/699061864.db2.gz HMOBJMXPCIQNKW-IRXDYDNUSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001031766387 699061867 /nfs/dbraw/zinc/06/18/67/699061867.db2.gz HMOBJMXPCIQNKW-IRXDYDNUSA-N 2 1 332.448 1.548 20 0 EDADMP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031766704 699065252 /nfs/dbraw/zinc/06/52/52/699065252.db2.gz MBQOXOVFFAVBLT-WBVHZDCISA-N 2 1 348.516 1.751 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001031772446 699099056 /nfs/dbraw/zinc/09/90/56/699099056.db2.gz UUKIELYEBISAMH-QZTJIDSGSA-N 2 1 349.450 1.391 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939055090 699115697 /nfs/dbraw/zinc/11/56/97/699115697.db2.gz TXNURUXBVYKLJH-GDBMZVCRSA-N 2 1 348.495 1.137 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC000939133479 699218197 /nfs/dbraw/zinc/21/81/97/699218197.db2.gz RNNAHWCOLMOTJP-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC1CCOCC1 ZINC000939136871 699223348 /nfs/dbraw/zinc/22/33/48/699223348.db2.gz CPIVSBITQCPKJT-NVXWUHKLSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)c(C)o1 ZINC000939137046 699223573 /nfs/dbraw/zinc/22/35/73/699223573.db2.gz DOWWINCDCSOUSI-CXAGYDPISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)c(C)o1 ZINC000939137046 699223576 /nfs/dbraw/zinc/22/35/76/699223576.db2.gz DOWWINCDCSOUSI-CXAGYDPISA-N 2 1 348.491 1.960 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567631 701579835 /nfs/dbraw/zinc/57/98/35/701579835.db2.gz ZMJSMVKQCTUXEY-KRWDZBQOSA-N 2 1 334.508 1.123 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567631 701579836 /nfs/dbraw/zinc/57/98/36/701579836.db2.gz ZMJSMVKQCTUXEY-KRWDZBQOSA-N 2 1 334.508 1.123 20 0 EDADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000939237034 699406219 /nfs/dbraw/zinc/40/62/19/699406219.db2.gz UDFTZOHQRJFQDI-DZGCQCFKSA-N 2 1 345.447 1.940 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2cnn(C)c2)C1 ZINC001031806853 699414887 /nfs/dbraw/zinc/41/48/87/699414887.db2.gz RCRDSHHCYYTPNG-SFHVURJKSA-N 2 1 347.507 1.131 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccnn2C)C1 ZINC001031806715 699432424 /nfs/dbraw/zinc/43/24/24/699432424.db2.gz MAXKFQQXUDHCMP-SFHVURJKSA-N 2 1 347.507 1.131 20 0 EDADMP CCC[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)C1 ZINC000941590063 701591755 /nfs/dbraw/zinc/59/17/55/701591755.db2.gz DZDLRIOQLGVBOM-UHFFFAOYSA-N 2 1 333.480 1.245 20 0 EDADMP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941604365 701593766 /nfs/dbraw/zinc/59/37/66/701593766.db2.gz XQIAFVKPDKASSQ-MJGOQNOKSA-N 2 1 346.519 1.242 20 0 EDADMP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000939749998 699897436 /nfs/dbraw/zinc/89/74/36/699897436.db2.gz XBCGVITUBDJMTG-XJKSGUPXSA-N 2 1 343.431 1.232 20 0 EDADMP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)c1 ZINC000939755095 699906177 /nfs/dbraw/zinc/90/61/77/699906177.db2.gz PFBFHFDJEBMFBS-RDTXWAMCSA-N 2 1 342.443 1.837 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCN(C3C[NH+](CC4CC(C)(C)C4)C3)CC2)C1 ZINC000941666260 701620699 /nfs/dbraw/zinc/62/06/99/701620699.db2.gz SBZAIMOPCMLLGJ-QGZVFWFLSA-N 2 1 348.535 1.203 20 0 EDADMP Cc1nc(CC[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)cs1 ZINC000939757000 699923644 /nfs/dbraw/zinc/92/36/44/699923644.db2.gz WJPUQZOGMWINAL-MLGOLLRUSA-N 2 1 347.488 1.636 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C)o2)CC1 ZINC000940143379 700271633 /nfs/dbraw/zinc/27/16/33/700271633.db2.gz USVDJYFEHDXBIH-HNNXBMFYSA-N 2 1 349.479 1.723 20 0 EDADMP Cn1nncc1C[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000940159887 700292650 /nfs/dbraw/zinc/29/26/50/700292650.db2.gz ZZCPJAUTEOPQNT-OAHLLOKOSA-N 2 1 348.495 1.160 20 0 EDADMP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000940179021 700312971 /nfs/dbraw/zinc/31/29/71/700312971.db2.gz PNHPPJRRNVPMTD-MRXNPFEDSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000940327422 700504202 /nfs/dbraw/zinc/50/42/02/700504202.db2.gz BBRKDYBISQGSSU-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940327779 700505037 /nfs/dbraw/zinc/50/50/37/700505037.db2.gz UAZNFJRCYATOPE-CHWSQXEVSA-N 2 1 337.493 1.207 20 0 EDADMP CCn1cc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)nn1 ZINC000940328422 700507099 /nfs/dbraw/zinc/50/70/99/700507099.db2.gz JUFHQYMOQWRQRP-HNNXBMFYSA-N 2 1 348.495 1.111 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)o1 ZINC000940329765 700509360 /nfs/dbraw/zinc/50/93/60/700509360.db2.gz YPPDEKCFYSHCPB-UHFFFAOYSA-N 2 1 349.479 1.581 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC000940425997 700619179 /nfs/dbraw/zinc/61/91/79/700619179.db2.gz BFDDYBAFCWCMDZ-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nc1 ZINC000940426220 700619775 /nfs/dbraw/zinc/61/97/75/700619775.db2.gz KLCRSNSKFCCREG-INIZCTEOSA-N 2 1 345.491 1.598 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]Cc3cccnc3)CC2)C1 ZINC000940426253 700620031 /nfs/dbraw/zinc/62/00/31/700620031.db2.gz LZOLROUBSHFKRA-INIZCTEOSA-N 2 1 330.476 1.894 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]Cc3cncs3)CC2)C1 ZINC000940426257 700620048 /nfs/dbraw/zinc/62/00/48/700620048.db2.gz MAJVSCHZPCGIFI-CQSZACIVSA-N 2 1 336.505 1.956 20 0 EDADMP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940426473 700620093 /nfs/dbraw/zinc/62/00/93/700620093.db2.gz RYXDGRUPNMTWQB-INIZCTEOSA-N 2 1 345.491 1.598 20 0 EDADMP CCc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)no1 ZINC000995076549 700650907 /nfs/dbraw/zinc/65/09/07/700650907.db2.gz DFJAKBKTSQGOMB-DZGCQCFKSA-N 2 1 349.479 1.348 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC000940462038 700665645 /nfs/dbraw/zinc/66/56/45/700665645.db2.gz XVQCYIOZZOFVHN-OAHLLOKOSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1conc1C[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000940461965 700665668 /nfs/dbraw/zinc/66/56/68/700665668.db2.gz TZGJYHIQPPAWNS-UHFFFAOYSA-N 2 1 331.420 1.659 20 0 EDADMP CN1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](C/C=C/Cl)CC2(C)C)C1 ZINC000940647511 700809862 /nfs/dbraw/zinc/80/98/62/700809862.db2.gz QFGMZFDMNRZCHE-CNPQOGTOSA-N 2 1 329.872 1.286 20 0 EDADMP CN1CCO[C@H](C(=O)N[C@@H]2CCN(C/C=C/Cl)CC2(C)C)C1 ZINC000940647511 700809864 /nfs/dbraw/zinc/80/98/64/700809864.db2.gz QFGMZFDMNRZCHE-CNPQOGTOSA-N 2 1 329.872 1.286 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867612 700948564 /nfs/dbraw/zinc/94/85/64/700948564.db2.gz GAIDYDMZBINYJW-CZUORRHYSA-N 2 1 330.432 1.545 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](C[C@H]3CCCOC3)C2)C1 ZINC001031916620 701006958 /nfs/dbraw/zinc/00/69/58/701006958.db2.gz CLCQNKRQHOJXQK-AEFFLSMTSA-N 2 1 337.508 1.583 20 0 EDADMP Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002351 701035991 /nfs/dbraw/zinc/03/59/91/701035991.db2.gz HRLMQNLBGNVIEN-QGZVFWFLSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCO)CC2(C)C)CC1 ZINC000941137701 701196963 /nfs/dbraw/zinc/19/69/63/701196963.db2.gz CLGRWEGBYWOBTF-QGZVFWFLSA-N 2 1 339.524 1.706 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)co1 ZINC000999168170 706595259 /nfs/dbraw/zinc/59/52/59/706595259.db2.gz GPLRBMGVIKTCTA-VJFUWPCTSA-N 2 1 346.475 1.936 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1)OC ZINC000941167067 701378077 /nfs/dbraw/zinc/37/80/77/701378077.db2.gz QANBRQRQQNOSGC-HOTGVXAUSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cncc(F)c3)CC2(C)C)C1 ZINC000941218214 701408985 /nfs/dbraw/zinc/40/89/85/701408985.db2.gz XDGCMEGIGHXILI-NVXWUHKLSA-N 2 1 348.466 1.889 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cncc(F)c3)CC2(C)C)C1 ZINC000941218214 701408986 /nfs/dbraw/zinc/40/89/86/701408986.db2.gz XDGCMEGIGHXILI-NVXWUHKLSA-N 2 1 348.466 1.889 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cncc(F)c3)CC2(C)C)C1 ZINC000941218214 701408987 /nfs/dbraw/zinc/40/89/87/701408987.db2.gz XDGCMEGIGHXILI-NVXWUHKLSA-N 2 1 348.466 1.889 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cncc(F)c3)CC2(C)C)C1 ZINC000941218214 701408988 /nfs/dbraw/zinc/40/89/88/701408988.db2.gz XDGCMEGIGHXILI-NVXWUHKLSA-N 2 1 348.466 1.889 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)CC1(C)C ZINC000941223245 701413617 /nfs/dbraw/zinc/41/36/17/701413617.db2.gz CXMIAVYGQQKHCQ-DLBZAZTESA-N 2 1 348.491 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)CC1(C)C ZINC000941223245 701413618 /nfs/dbraw/zinc/41/36/18/701413618.db2.gz CXMIAVYGQQKHCQ-DLBZAZTESA-N 2 1 348.491 1.977 20 0 EDADMP O=C(Cc1cnc[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(CF)cc1 ZINC001032651885 706605590 /nfs/dbraw/zinc/60/55/90/706605590.db2.gz IDLWUGAHGRSWAR-IRXDYDNUSA-N 2 1 328.391 1.907 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001032130236 701837870 /nfs/dbraw/zinc/83/78/70/701837870.db2.gz IIAMCSOMLSIWFC-UHFFFAOYSA-N 2 1 332.448 1.189 20 0 EDADMP Cc1ccncc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999191297 706633928 /nfs/dbraw/zinc/63/39/28/706633928.db2.gz XEROIDKULGHWLU-KBAYOESNSA-N 2 1 330.476 1.811 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)no1 ZINC000995825453 702096619 /nfs/dbraw/zinc/09/66/19/702096619.db2.gz MWUABOIMELQPIP-FVQBIDKESA-N 2 1 334.464 1.650 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)no1 ZINC000995825453 702096627 /nfs/dbraw/zinc/09/66/27/702096627.db2.gz MWUABOIMELQPIP-FVQBIDKESA-N 2 1 334.464 1.650 20 0 EDADMP CC(C)Oc1ccccc1CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032183023 702153685 /nfs/dbraw/zinc/15/36/85/702153685.db2.gz XSLZGMBSYLVLGV-SFHVURJKSA-N 2 1 345.487 1.974 20 0 EDADMP CC(C)Oc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032183023 702153690 /nfs/dbraw/zinc/15/36/90/702153690.db2.gz XSLZGMBSYLVLGV-SFHVURJKSA-N 2 1 345.487 1.974 20 0 EDADMP CC(C)Oc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032183023 702153698 /nfs/dbraw/zinc/15/36/98/702153698.db2.gz XSLZGMBSYLVLGV-SFHVURJKSA-N 2 1 345.487 1.974 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nncs3)C2)CC[N@@H+]1C ZINC000999203777 706648976 /nfs/dbraw/zinc/64/89/76/706648976.db2.gz COEFXVZDWKUAPJ-MELADBBJSA-N 2 1 337.493 1.349 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nncs3)C2)CC[N@H+]1C ZINC000999203777 706648978 /nfs/dbraw/zinc/64/89/78/706648978.db2.gz COEFXVZDWKUAPJ-MELADBBJSA-N 2 1 337.493 1.349 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000995890039 702230964 /nfs/dbraw/zinc/23/09/64/702230964.db2.gz YQNYYURQGFNIGE-LSDHHAIUSA-N 2 1 348.495 1.016 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000995890039 702230968 /nfs/dbraw/zinc/23/09/68/702230968.db2.gz YQNYYURQGFNIGE-LSDHHAIUSA-N 2 1 348.495 1.016 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000995890408 702231963 /nfs/dbraw/zinc/23/19/63/702231963.db2.gz ATFRRPMUGRXSMH-IRXDYDNUSA-N 2 1 347.507 1.440 20 0 EDADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995918649 702237580 /nfs/dbraw/zinc/23/75/80/702237580.db2.gz XRYSRZSOQMVNLB-GDBMZVCRSA-N 2 1 348.495 1.016 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC001032186899 702287972 /nfs/dbraw/zinc/28/79/72/702287972.db2.gz ZBWFECLUHPCNMR-MAUKXSAKSA-N 2 1 331.435 1.813 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC001032186425 702325340 /nfs/dbraw/zinc/32/53/40/702325340.db2.gz QBYPHXSOZPNUQS-GJZGRUSLSA-N 2 1 329.435 1.812 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnn(CC)n3)C2)CC[N@@H+]1C ZINC000999209463 706662078 /nfs/dbraw/zinc/66/20/78/706662078.db2.gz QBDWFPPTGVDZEW-BHYGNILZSA-N 2 1 348.495 1.109 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnn(CC)n3)C2)CC[N@H+]1C ZINC000999209463 706662081 /nfs/dbraw/zinc/66/20/81/706662081.db2.gz QBDWFPPTGVDZEW-BHYGNILZSA-N 2 1 348.495 1.109 20 0 EDADMP Cn1cncc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995972648 702356773 /nfs/dbraw/zinc/35/67/73/702356773.db2.gz DXMDMLFHVRFPLP-CVEARBPZSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944167354 702405908 /nfs/dbraw/zinc/40/59/08/702405908.db2.gz DBJPZQFUOKLOIO-YOEHRIQHSA-N 2 1 345.491 1.151 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2ncccc2C)C(C)(C)C1 ZINC000996046093 702440425 /nfs/dbraw/zinc/44/04/25/702440425.db2.gz ZMNYFMWGLHNFNT-KRWDZBQOSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)oc1C ZINC000944153359 702441084 /nfs/dbraw/zinc/44/10/84/702441084.db2.gz HBCIXIZFSCNXLC-CZUORRHYSA-N 2 1 346.475 1.714 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)oc1C ZINC000944153359 702441088 /nfs/dbraw/zinc/44/10/88/702441088.db2.gz HBCIXIZFSCNXLC-CZUORRHYSA-N 2 1 346.475 1.714 20 0 EDADMP CC(C)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996191134 702596124 /nfs/dbraw/zinc/59/61/24/702596124.db2.gz UNPCSLLKYWTOGT-CVEARBPZSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996191134 702596127 /nfs/dbraw/zinc/59/61/27/702596127.db2.gz UNPCSLLKYWTOGT-CVEARBPZSA-N 2 1 325.497 1.578 20 0 EDADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996300209 702691575 /nfs/dbraw/zinc/69/15/75/702691575.db2.gz KHWJJHNMXAWGRP-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC000995211945 702700118 /nfs/dbraw/zinc/70/01/18/702700118.db2.gz OHKZULNLMWLTGM-CHWSQXEVSA-N 2 1 334.449 1.118 20 0 EDADMP C[C@@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942209328 702715587 /nfs/dbraw/zinc/71/55/87/702715587.db2.gz VPNNNUSZHXPPIP-TZMCWYRMSA-N 2 1 326.416 1.536 20 0 EDADMP C[C@@H]1C[N@@H+](CCCF)CC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942209328 702715588 /nfs/dbraw/zinc/71/55/88/702715588.db2.gz VPNNNUSZHXPPIP-TZMCWYRMSA-N 2 1 326.416 1.536 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256821 702748154 /nfs/dbraw/zinc/74/81/54/702748154.db2.gz HNYDTYILRGPCIX-NVXWUHKLSA-N 2 1 345.491 1.375 20 0 EDADMP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996476805 702808611 /nfs/dbraw/zinc/80/86/11/702808611.db2.gz HMLURSKLUQGUIA-MAUKXSAKSA-N 2 1 346.475 1.938 20 0 EDADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996520571 702856115 /nfs/dbraw/zinc/85/61/15/702856115.db2.gz SQXFQWVTWXHKIT-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996607589 702910630 /nfs/dbraw/zinc/91/06/30/702910630.db2.gz CUVVJKGOBIIJAW-GDBMZVCRSA-N 2 1 333.480 1.181 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)c(C)n1 ZINC000996608072 702911127 /nfs/dbraw/zinc/91/11/27/702911127.db2.gz FQIMDWRFZJRZES-ROUUACIJSA-N 2 1 344.503 1.977 20 0 EDADMP Cc1cnc([C@H](C)[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996609598 702920722 /nfs/dbraw/zinc/92/07/22/702920722.db2.gz ICRIJTVACHZQTN-GJZGRUSLSA-N 2 1 334.464 1.966 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]CCC3CCOCC3)C(C)(C)C2)C1 ZINC000996615650 702922940 /nfs/dbraw/zinc/92/29/40/702922940.db2.gz QDNUUEYDMLIQMR-SJORKVTESA-N 2 1 337.508 1.581 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000996616053 702923592 /nfs/dbraw/zinc/92/35/92/702923592.db2.gz ADGWMAFEVIFHSL-MRXNPFEDSA-N 2 1 327.432 1.613 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C(C)(C)C2)C1 ZINC000996617726 702924589 /nfs/dbraw/zinc/92/45/89/702924589.db2.gz VUOGFFUKQTYVCU-WMLDXEAASA-N 2 1 345.491 1.108 20 0 EDADMP COCc1cccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001032313698 702966134 /nfs/dbraw/zinc/96/61/34/702966134.db2.gz OGBSBRXWBHCXOI-FHWLQOOXSA-N 2 1 343.471 1.712 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996669520 702970869 /nfs/dbraw/zinc/97/08/69/702970869.db2.gz GPIVLIUXCZONJY-IAGOWNOFSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1nccnc1C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996689325 702986732 /nfs/dbraw/zinc/98/67/32/702986732.db2.gz MCCWOQRTPOVRFG-KRWDZBQOSA-N 2 1 345.491 1.740 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1)c1nncn1C ZINC000996691025 702988411 /nfs/dbraw/zinc/98/84/11/702988411.db2.gz RMWROYTYZUVFBQ-HOCLYGCPSA-N 2 1 348.495 1.331 20 0 EDADMP Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)cn1 ZINC000996711099 703005708 /nfs/dbraw/zinc/00/57/08/703005708.db2.gz JRXMFAKADQUMAY-ROUUACIJSA-N 2 1 345.491 1.518 20 0 EDADMP Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)cn1 ZINC000996711095 703005928 /nfs/dbraw/zinc/00/59/28/703005928.db2.gz JRXMFAKADQUMAY-MSOLQXFVSA-N 2 1 345.491 1.518 20 0 EDADMP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)n1 ZINC000996716079 703014758 /nfs/dbraw/zinc/01/47/58/703014758.db2.gz IEDXHKMXPITICS-ZWKOTPCHSA-N 2 1 345.491 1.518 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996730405 703027229 /nfs/dbraw/zinc/02/72/29/703027229.db2.gz SFUQGLHSRPMHLP-KRWDZBQOSA-N 2 1 334.439 1.786 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000996730332 703027278 /nfs/dbraw/zinc/02/72/78/703027278.db2.gz RNIUFDQPXVJUSP-CQSZACIVSA-N 2 1 335.452 1.197 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000996730332 703027281 /nfs/dbraw/zinc/02/72/81/703027281.db2.gz RNIUFDQPXVJUSP-CQSZACIVSA-N 2 1 335.452 1.197 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996765281 703061004 /nfs/dbraw/zinc/06/10/04/703061004.db2.gz UUCQPYANGSCWLP-GOSISDBHSA-N 2 1 347.507 1.621 20 0 EDADMP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)o1 ZINC000996802802 703088843 /nfs/dbraw/zinc/08/88/43/703088843.db2.gz SVZSMCFYSHIOSQ-UHFFFAOYSA-N 2 1 345.447 1.831 20 0 EDADMP C[C@@H](O)C[N@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473342 703138463 /nfs/dbraw/zinc/13/84/63/703138463.db2.gz DAXKBSAODGCFFJ-SJORKVTESA-N 2 1 337.508 1.556 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)CC[N@H+]1C ZINC000996923276 703194113 /nfs/dbraw/zinc/19/41/13/703194113.db2.gz RXSCGCRACJBJOJ-ULQDDVLXSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000942718132 703232086 /nfs/dbraw/zinc/23/20/86/703232086.db2.gz BVGQVHCEERDKRW-VQIMIIECSA-N 2 1 347.503 1.613 20 0 EDADMP CCn1ccc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996976282 703241544 /nfs/dbraw/zinc/24/15/44/703241544.db2.gz CDNMEQFAIKSXBZ-QAPCUYQASA-N 2 1 347.507 1.714 20 0 EDADMP CCn1ccc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000996976282 703241545 /nfs/dbraw/zinc/24/15/45/703241545.db2.gz CDNMEQFAIKSXBZ-QAPCUYQASA-N 2 1 347.507 1.714 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032044623 703245826 /nfs/dbraw/zinc/24/58/26/703245826.db2.gz VRATYTUTKFXFDB-OALUTQOASA-N 2 1 342.487 1.955 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032044623 703245829 /nfs/dbraw/zinc/24/58/29/703245829.db2.gz VRATYTUTKFXFDB-OALUTQOASA-N 2 1 342.487 1.955 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)c(C)o1 ZINC000997005379 703262857 /nfs/dbraw/zinc/26/28/57/703262857.db2.gz DJAVKWROWFSQMV-MLGOLLRUSA-N 2 1 334.464 1.570 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)s1 ZINC000997008381 703266084 /nfs/dbraw/zinc/26/60/84/703266084.db2.gz LTHUEINQIXLYOE-LRDDRELGSA-N 2 1 336.505 1.730 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1cccs1 ZINC001032405502 703428684 /nfs/dbraw/zinc/42/86/84/703428684.db2.gz GNIHEYHXWXSYQQ-XYJFISCASA-N 2 1 345.512 1.918 20 0 EDADMP CCCc1nc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000997188510 703478173 /nfs/dbraw/zinc/47/81/73/703478173.db2.gz ZHVVYIYHQOPOGZ-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP CCCc1nc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000997188510 703478174 /nfs/dbraw/zinc/47/81/74/703478174.db2.gz ZHVVYIYHQOPOGZ-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP C[C@H](NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[C@@H]1C[N@H+](C)CCO1 ZINC000921556369 703532338 /nfs/dbraw/zinc/53/23/38/703532338.db2.gz RODWBRJBGMJOQJ-UAGQMJEPSA-N 2 1 349.479 1.093 20 0 EDADMP C[C@H](NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000921556369 703532340 /nfs/dbraw/zinc/53/23/40/703532340.db2.gz RODWBRJBGMJOQJ-UAGQMJEPSA-N 2 1 349.479 1.093 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1)C2 ZINC000997296604 703555438 /nfs/dbraw/zinc/55/54/38/703555438.db2.gz DOTLJOZCKCZWKY-RHSMWYFYSA-N 2 1 348.491 1.353 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c(C)s1 ZINC000997298390 703556458 /nfs/dbraw/zinc/55/64/58/703556458.db2.gz IUQWRSDUPYBMGL-CQSZACIVSA-N 2 1 336.505 1.792 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(C)cc3)CC2)C1 ZINC000997334595 703562755 /nfs/dbraw/zinc/56/27/55/703562755.db2.gz DWICYGTVVBGONT-LJQANCHMSA-N 2 1 345.487 1.796 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(C)cc3)CC2)C1 ZINC000997334595 703562756 /nfs/dbraw/zinc/56/27/56/703562756.db2.gz DWICYGTVVBGONT-LJQANCHMSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC000997310223 703567203 /nfs/dbraw/zinc/56/72/03/703567203.db2.gz PCDFMFWGQFOZDO-ZBFHGGJFSA-N 2 1 334.464 1.587 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997365415 703599213 /nfs/dbraw/zinc/59/92/13/703599213.db2.gz UQQXYDSERLSEHX-INIZCTEOSA-N 2 1 331.464 1.432 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2coc(C)n2)CC1 ZINC000997366354 703600202 /nfs/dbraw/zinc/60/02/02/703600202.db2.gz DBTPZGIAHXHGLV-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CC(C)(C)CO2)CCC1 ZINC001032444410 703621664 /nfs/dbraw/zinc/62/16/64/703621664.db2.gz XSLPJCCUBHRUPO-JYJNAYRXSA-N 2 1 335.492 1.571 20 0 EDADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CC(C)(C)CO2)CCC1 ZINC001032444410 703621665 /nfs/dbraw/zinc/62/16/65/703621665.db2.gz XSLPJCCUBHRUPO-JYJNAYRXSA-N 2 1 335.492 1.571 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1)[NH+](C)C ZINC001032459470 703639314 /nfs/dbraw/zinc/63/93/14/703639314.db2.gz DNPWCBLFHGPLFV-BZSNNMDCSA-N 2 1 337.508 1.674 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC1CCC1 ZINC001032454344 703641074 /nfs/dbraw/zinc/64/10/74/703641074.db2.gz NQPNDWLWOWTZFY-IKGGRYGDSA-N 2 1 335.492 1.715 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC1CCC1 ZINC001032454344 703641076 /nfs/dbraw/zinc/64/10/76/703641076.db2.gz NQPNDWLWOWTZFY-IKGGRYGDSA-N 2 1 335.492 1.715 20 0 EDADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032454344 703641078 /nfs/dbraw/zinc/64/10/78/703641078.db2.gz NQPNDWLWOWTZFY-IKGGRYGDSA-N 2 1 335.492 1.715 20 0 EDADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032454344 703641079 /nfs/dbraw/zinc/64/10/79/703641079.db2.gz NQPNDWLWOWTZFY-IKGGRYGDSA-N 2 1 335.492 1.715 20 0 EDADMP CCc1nocc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997420401 703670239 /nfs/dbraw/zinc/67/02/39/703670239.db2.gz INLLGOVQYOFVMX-GDBMZVCRSA-N 2 1 348.491 1.905 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997422383 703670829 /nfs/dbraw/zinc/67/08/29/703670829.db2.gz XCUGQWAVAMMXBN-ZBFHGGJFSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997422383 703670831 /nfs/dbraw/zinc/67/08/31/703670831.db2.gz XCUGQWAVAMMXBN-ZBFHGGJFSA-N 2 1 334.464 1.651 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C2CC[NH+](CCCF)CC2)C1 ZINC000997431569 703673402 /nfs/dbraw/zinc/67/34/02/703673402.db2.gz OPMWBXSEEHNPRL-ZBFHGGJFSA-N 2 1 329.460 1.283 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C2CC[NH+](CCCF)CC2)C1 ZINC000997431569 703673403 /nfs/dbraw/zinc/67/34/03/703673403.db2.gz OPMWBXSEEHNPRL-ZBFHGGJFSA-N 2 1 329.460 1.283 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCC2)O1 ZINC001032473582 703691894 /nfs/dbraw/zinc/69/18/94/703691894.db2.gz VJCPMIRUJYSDPE-LAVFITLUSA-N 2 1 335.492 1.571 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCC2)O1 ZINC001032473582 703691896 /nfs/dbraw/zinc/69/18/96/703691896.db2.gz VJCPMIRUJYSDPE-LAVFITLUSA-N 2 1 335.492 1.571 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCC2)O1 ZINC001032473582 703691898 /nfs/dbraw/zinc/69/18/98/703691898.db2.gz VJCPMIRUJYSDPE-LAVFITLUSA-N 2 1 335.492 1.571 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCC2)O1 ZINC001032473582 703691900 /nfs/dbraw/zinc/69/19/00/703691900.db2.gz VJCPMIRUJYSDPE-LAVFITLUSA-N 2 1 335.492 1.571 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)c1ccc(F)cc1)[NH+](C)C ZINC001032474463 703694509 /nfs/dbraw/zinc/69/45/09/703694509.db2.gz YYHKDEFQQUEQTM-WNRNVDISSA-N 2 1 349.450 1.484 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)c1ccc(F)cc1)[NH+](C)C ZINC001032474463 703694510 /nfs/dbraw/zinc/69/45/10/703694510.db2.gz YYHKDEFQQUEQTM-WNRNVDISSA-N 2 1 349.450 1.484 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000997517257 703767257 /nfs/dbraw/zinc/76/72/57/703767257.db2.gz YBGZKKGZPHWKSV-YJBOKZPZSA-N 2 1 347.507 1.274 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nc(C)no3)C2)C1 ZINC000999279816 706772197 /nfs/dbraw/zinc/77/21/97/706772197.db2.gz QMKSTHHEXVJLHK-QQFBHYJXSA-N 2 1 349.479 1.579 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nc(C)no3)C2)C1 ZINC000999279816 706772198 /nfs/dbraw/zinc/77/21/98/706772198.db2.gz QMKSTHHEXVJLHK-QQFBHYJXSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000997614422 703914029 /nfs/dbraw/zinc/91/40/29/703914029.db2.gz QRUPARRXBKZFFE-IUODEOHRSA-N 2 1 335.452 1.361 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC[NH+](CCO)CC1 ZINC000997617057 703918488 /nfs/dbraw/zinc/91/84/88/703918488.db2.gz AMPJZIBIEYHDPU-MAUKXSAKSA-N 2 1 337.508 1.602 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995552380 703959510 /nfs/dbraw/zinc/95/95/10/703959510.db2.gz QPNFEUVPQSUCNZ-HOTGVXAUSA-N 2 1 333.480 1.324 20 0 EDADMP COCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997653390 703969392 /nfs/dbraw/zinc/96/93/92/703969392.db2.gz KNAIOZCTNGJTKJ-FUHWJXTLSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997653860 703971606 /nfs/dbraw/zinc/97/16/06/703971606.db2.gz SKTHUUUPOQKDOY-WMZOPIPTSA-N 2 1 339.524 1.706 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033082578 704139559 /nfs/dbraw/zinc/13/95/59/704139559.db2.gz SALNXXNBHNBWAS-SJORKVTESA-N 2 1 346.475 1.666 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095347 704182070 /nfs/dbraw/zinc/18/20/70/704182070.db2.gz XMNKYJRNLLQKSY-PBHICJAKSA-N 2 1 333.480 1.979 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095347 704182074 /nfs/dbraw/zinc/18/20/74/704182074.db2.gz XMNKYJRNLLQKSY-PBHICJAKSA-N 2 1 333.480 1.979 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033095347 704182077 /nfs/dbraw/zinc/18/20/77/704182077.db2.gz XMNKYJRNLLQKSY-PBHICJAKSA-N 2 1 333.480 1.979 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033095347 704182081 /nfs/dbraw/zinc/18/20/81/704182081.db2.gz XMNKYJRNLLQKSY-PBHICJAKSA-N 2 1 333.480 1.979 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cn(C)nc3C)C2)CC[N@H+]1C ZINC001033096985 704186121 /nfs/dbraw/zinc/18/61/21/704186121.db2.gz SKBIDESHCXHNDX-OKZBNKHCSA-N 2 1 347.507 1.492 20 0 EDADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]2CC1 ZINC000946592350 704242634 /nfs/dbraw/zinc/24/26/34/704242634.db2.gz IPXJGAVVBXRAFI-KSZLIROESA-N 2 1 337.483 1.858 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccc(C)n2)C1 ZINC000999310401 706813161 /nfs/dbraw/zinc/81/31/61/706813161.db2.gz YDBBVDIXVISCFX-IRXDYDNUSA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccc(C)n2)C1 ZINC000999310401 706813163 /nfs/dbraw/zinc/81/31/63/706813163.db2.gz YDBBVDIXVISCFX-IRXDYDNUSA-N 2 1 345.491 1.740 20 0 EDADMP C[C@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004459758 704453520 /nfs/dbraw/zinc/45/35/20/704453520.db2.gz WNJVFLNWADGJOX-DOTOQJQBSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3cncn3C)CC2)CC[N@H+]1C ZINC000997784935 704688649 /nfs/dbraw/zinc/68/86/49/704688649.db2.gz FSRJHTGZXYPHQJ-RHSMWYFYSA-N 2 1 333.480 1.089 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]C[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000997793555 704706440 /nfs/dbraw/zinc/70/64/40/704706440.db2.gz QRVSQJWQEKXQGZ-OKZBNKHCSA-N 2 1 337.508 1.581 20 0 EDADMP Cn1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000997864480 704770985 /nfs/dbraw/zinc/77/09/85/704770985.db2.gz JPNRIOHLBLMFAF-KRWDZBQOSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1nocc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997866599 704773413 /nfs/dbraw/zinc/77/34/13/704773413.db2.gz LUPKIVLMYAFQJG-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000998062079 705277335 /nfs/dbraw/zinc/27/73/35/705277335.db2.gz CERQSJSLKOWSLK-HNNXBMFYSA-N 2 1 343.431 1.136 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000998062079 705277338 /nfs/dbraw/zinc/27/73/38/705277338.db2.gz CERQSJSLKOWSLK-HNNXBMFYSA-N 2 1 343.431 1.136 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CCC[N@@H+](CC)CC1 ZINC000998067458 705280192 /nfs/dbraw/zinc/28/01/92/705280192.db2.gz USFRAZVFILKJHB-VZDIDWBNSA-N 2 1 335.492 1.573 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1CCC[NH+](CC)CC1 ZINC000998067458 705280196 /nfs/dbraw/zinc/28/01/96/705280196.db2.gz USFRAZVFILKJHB-VZDIDWBNSA-N 2 1 335.492 1.573 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CCC[NH+](CC)CC1 ZINC000998067458 705280199 /nfs/dbraw/zinc/28/01/99/705280199.db2.gz USFRAZVFILKJHB-VZDIDWBNSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000998076623 705296362 /nfs/dbraw/zinc/29/63/62/705296362.db2.gz BDTAQEDNULZBET-CZUORRHYSA-N 2 1 336.505 1.669 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998080207 705304391 /nfs/dbraw/zinc/30/43/91/705304391.db2.gz YQBRDFZUBXQTDZ-IUODEOHRSA-N 2 1 337.493 1.064 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC000998082483 705309345 /nfs/dbraw/zinc/30/93/45/705309345.db2.gz PUEFBNVOKVIELY-AWEZNQCLSA-N 2 1 334.464 1.653 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)[nH]1 ZINC000998083084 705311835 /nfs/dbraw/zinc/31/18/35/705311835.db2.gz UPEQUDBMXMOHKN-ZIAGYGMSSA-N 2 1 348.495 1.487 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H](O)C2CCCCC2)CC1 ZINC001032603044 705421842 /nfs/dbraw/zinc/42/18/42/705421842.db2.gz MNGUGYIBMKQHTH-GBESFXJTSA-N 2 1 349.519 1.555 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC[N@H+]([C@@H](C)COC)CC1 ZINC000998177695 705468302 /nfs/dbraw/zinc/46/83/02/705468302.db2.gz UTVGVHKMYOFASK-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000998216765 705538528 /nfs/dbraw/zinc/53/85/28/705538528.db2.gz KNOQGRXGLXJWKN-QGZVFWFLSA-N 2 1 348.491 1.961 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998265948 705637247 /nfs/dbraw/zinc/63/72/47/705637247.db2.gz NHEJKACZQRZMFN-UKRRQHHQSA-N 2 1 349.479 1.473 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccn2)C1 ZINC001032626081 705722917 /nfs/dbraw/zinc/72/29/17/705722917.db2.gz XHBOIUJJQGGZOK-IRXDYDNUSA-N 2 1 328.460 1.599 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001032627547 705730837 /nfs/dbraw/zinc/73/08/37/705730837.db2.gz ZZOIDAWKENSQSF-BPUTZDHNSA-N 2 1 348.516 1.763 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001032627547 705730839 /nfs/dbraw/zinc/73/08/39/705730839.db2.gz ZZOIDAWKENSQSF-BPUTZDHNSA-N 2 1 348.516 1.763 20 0 EDADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001032627547 705730840 /nfs/dbraw/zinc/73/08/40/705730840.db2.gz ZZOIDAWKENSQSF-BPUTZDHNSA-N 2 1 348.516 1.763 20 0 EDADMP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001032627547 705730842 /nfs/dbraw/zinc/73/08/42/705730842.db2.gz ZZOIDAWKENSQSF-BPUTZDHNSA-N 2 1 348.516 1.763 20 0 EDADMP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629597 705752511 /nfs/dbraw/zinc/75/25/11/705752511.db2.gz FNPSLSJGCYFNSW-MNEFBYGVSA-N 2 1 345.487 1.724 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)C1CCCCC1)[NH+](C)C ZINC001032634667 705906810 /nfs/dbraw/zinc/90/68/10/705906810.db2.gz QEFAMVRMRGHMLW-XSLAGTTESA-N 2 1 337.508 1.553 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000998547927 705983005 /nfs/dbraw/zinc/98/30/05/705983005.db2.gz CGVNTJMATDEGKR-RUXDESIVSA-N 2 1 349.504 1.589 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000998547927 705983007 /nfs/dbraw/zinc/98/30/07/705983007.db2.gz CGVNTJMATDEGKR-RUXDESIVSA-N 2 1 349.504 1.589 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC000998549267 705985260 /nfs/dbraw/zinc/98/52/60/705985260.db2.gz KSHHSRQBOKOLSN-UYSNPLJNSA-N 2 1 332.448 1.263 20 0 EDADMP COc1nscc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998730900 706163164 /nfs/dbraw/zinc/16/31/64/706163164.db2.gz LSTZKLJNHNJGSP-ZIAGYGMSSA-N 2 1 338.477 1.327 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC000998763844 706198317 /nfs/dbraw/zinc/19/83/17/706198317.db2.gz PMUFWKIBQYCTJY-VJFUWPCTSA-N 2 1 345.491 1.737 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)co1 ZINC000998764736 706204102 /nfs/dbraw/zinc/20/41/02/706204102.db2.gz UMJFRBFCCJTWFC-BDVYOWHSSA-N 2 1 334.464 1.935 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)co1 ZINC000998764736 706204106 /nfs/dbraw/zinc/20/41/06/706204106.db2.gz UMJFRBFCCJTWFC-BDVYOWHSSA-N 2 1 334.464 1.935 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC000998815692 706257403 /nfs/dbraw/zinc/25/74/03/706257403.db2.gz AIJCVDZCKVGYFE-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC000998815692 706257405 /nfs/dbraw/zinc/25/74/05/706257405.db2.gz AIJCVDZCKVGYFE-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C)n1 ZINC000998826828 706273641 /nfs/dbraw/zinc/27/36/41/706273641.db2.gz QERKTYXDXWIZSG-QZTJIDSGSA-N 2 1 346.475 1.110 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C)n1 ZINC000998826828 706273643 /nfs/dbraw/zinc/27/36/43/706273643.db2.gz QERKTYXDXWIZSG-QZTJIDSGSA-N 2 1 346.475 1.110 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)cn2)C1 ZINC000998868391 706298235 /nfs/dbraw/zinc/29/82/35/706298235.db2.gz XHDDTQXEQIJHFK-VJFUWPCTSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000998899243 706327387 /nfs/dbraw/zinc/32/73/87/706327387.db2.gz CZPRCDRLIIDWSL-GPANFISMSA-N 2 1 343.431 1.836 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]CCn2cncn2)C1 ZINC000998900868 706337730 /nfs/dbraw/zinc/33/77/30/706337730.db2.gz IBKLJIJLXLAGNA-AQFXKWCLSA-N 2 1 348.495 1.120 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)ncn1 ZINC000998994048 706411193 /nfs/dbraw/zinc/41/11/93/706411193.db2.gz JQUYPDYLIYNVQA-PREGVCBESA-N 2 1 331.464 1.348 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnn(C)n2)C1 ZINC000999036242 706450850 /nfs/dbraw/zinc/45/08/50/706450850.db2.gz QJYNRPRXMXQEJJ-PREGVCBESA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000999036242 706450851 /nfs/dbraw/zinc/45/08/51/706450851.db2.gz QJYNRPRXMXQEJJ-PREGVCBESA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000999036242 706450853 /nfs/dbraw/zinc/45/08/53/706450853.db2.gz QJYNRPRXMXQEJJ-PREGVCBESA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999032537 706469456 /nfs/dbraw/zinc/46/94/56/706469456.db2.gz GJBXVUYVVBYURU-OFLPRAFFSA-N 2 1 347.507 1.620 20 0 EDADMP Cc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC[C@@H]3C2)no1 ZINC000946517841 706554443 /nfs/dbraw/zinc/55/44/43/706554443.db2.gz JKNKGXUFCPDMQW-JZXOWHBKSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC[C@@H]3C2)no1 ZINC000946517841 706554445 /nfs/dbraw/zinc/55/44/45/706554445.db2.gz JKNKGXUFCPDMQW-JZXOWHBKSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC[C@@H]3C2)no1 ZINC000946517841 706554449 /nfs/dbraw/zinc/55/44/49/706554449.db2.gz JKNKGXUFCPDMQW-JZXOWHBKSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000999318346 706826528 /nfs/dbraw/zinc/82/65/28/706826528.db2.gz ROPPMGIFNCXRKM-MRXNPFEDSA-N 2 1 330.436 1.165 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H](NCc2cnn(C)n2)C1 ZINC000999350731 706863345 /nfs/dbraw/zinc/86/33/45/706863345.db2.gz ANMDNLDCDFUWAH-WBVHZDCISA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000999350731 706863349 /nfs/dbraw/zinc/86/33/49/706863349.db2.gz ANMDNLDCDFUWAH-WBVHZDCISA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000999350731 706863353 /nfs/dbraw/zinc/86/33/53/706863353.db2.gz ANMDNLDCDFUWAH-WBVHZDCISA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999377548 706871820 /nfs/dbraw/zinc/87/18/20/706871820.db2.gz WISJGYISUQWKQW-DOTOQJQBSA-N 2 1 348.495 1.280 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)o1 ZINC000999363120 706877058 /nfs/dbraw/zinc/87/70/58/706877058.db2.gz FZHBZLHUEQGRTK-HNNXBMFYSA-N 2 1 334.464 1.856 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999399168 706893659 /nfs/dbraw/zinc/89/36/59/706893659.db2.gz FLNCZXYBEYBUNS-HOTGVXAUSA-N 2 1 348.495 1.253 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999399168 706893662 /nfs/dbraw/zinc/89/36/62/706893662.db2.gz FLNCZXYBEYBUNS-HOTGVXAUSA-N 2 1 348.495 1.253 20 0 EDADMP CCc1nc(CNC2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)no1 ZINC000999402520 706910589 /nfs/dbraw/zinc/91/05/89/706910589.db2.gz GILJTQBJQRCZJK-HSBZDZAISA-N 2 1 335.452 1.053 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2nccs2)C1 ZINC000999402926 706911487 /nfs/dbraw/zinc/91/14/87/706911487.db2.gz LMRAJOURNFKSJK-UHFFFAOYSA-N 2 1 336.505 1.954 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000999403859 706912704 /nfs/dbraw/zinc/91/27/04/706912704.db2.gz XVGWGNLRUYPWPN-IRXDYDNUSA-N 2 1 333.480 1.338 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC000999410363 706920497 /nfs/dbraw/zinc/92/04/97/706920497.db2.gz VRJDBPDSOAQLSM-HSBZDZAISA-N 2 1 335.452 1.053 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC000999410363 706920501 /nfs/dbraw/zinc/92/05/01/706920501.db2.gz VRJDBPDSOAQLSM-HSBZDZAISA-N 2 1 335.452 1.053 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCc3ccccc3)C2)O1 ZINC000999497952 706995777 /nfs/dbraw/zinc/99/57/77/706995777.db2.gz TUXOOUJYKZXPTG-NZSAHSFTSA-N 2 1 345.487 1.529 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCc3ccccc3)C2)O1 ZINC000999497952 706995780 /nfs/dbraw/zinc/99/57/80/706995780.db2.gz TUXOOUJYKZXPTG-NZSAHSFTSA-N 2 1 345.487 1.529 20 0 EDADMP O=C(N1CCC[C@@H]([NH2+]Cc2cnon2)C1)C12CCC[NH+](CCC1)C2 ZINC000999488294 707023974 /nfs/dbraw/zinc/02/39/74/707023974.db2.gz DNOSAQBYDXCXGG-CQSZACIVSA-N 2 1 333.436 1.026 20 0 EDADMP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC000999689321 707245336 /nfs/dbraw/zinc/24/53/36/707245336.db2.gz RNEPXCDIVBEHTF-FHERZECASA-N 2 1 348.491 1.966 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001033264264 707285111 /nfs/dbraw/zinc/28/51/11/707285111.db2.gz BNWYAWFYRNFAEX-SFHVURJKSA-N 2 1 348.491 1.931 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC001033264264 707285112 /nfs/dbraw/zinc/28/51/12/707285112.db2.gz BNWYAWFYRNFAEX-SFHVURJKSA-N 2 1 348.491 1.931 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)c1 ZINC001033266035 707291656 /nfs/dbraw/zinc/29/16/56/707291656.db2.gz MLFNOXQSPMFCDL-QGZVFWFLSA-N 2 1 342.443 1.933 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)c1 ZINC001033266035 707291659 /nfs/dbraw/zinc/29/16/59/707291659.db2.gz MLFNOXQSPMFCDL-QGZVFWFLSA-N 2 1 342.443 1.933 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000999711657 707307032 /nfs/dbraw/zinc/30/70/32/707307032.db2.gz FVFBIJPGENMLKR-DLBZAZTESA-N 2 1 334.464 1.731 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033295915 707405263 /nfs/dbraw/zinc/40/52/63/707405263.db2.gz OSWDPSBSRCNHSD-MOPGFXCFSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1nc(CC[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC000999828202 707456502 /nfs/dbraw/zinc/45/65/02/707456502.db2.gz FABOEUNDXMKGEI-JEYLPNPQSA-N 2 1 336.505 1.525 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999829528 707458309 /nfs/dbraw/zinc/45/83/09/707458309.db2.gz IWORZZPPRHGWEC-NFOMZHRRSA-N 2 1 332.448 1.583 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999835152 707468844 /nfs/dbraw/zinc/46/88/44/707468844.db2.gz FTLOAYPCIGFKSS-DAWZGUTISA-N 2 1 342.443 1.504 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCc3ccnn3C)C2)CC[N@H+]1C ZINC001033358894 707684211 /nfs/dbraw/zinc/68/42/11/707684211.db2.gz RGHSQCNXBDUUNZ-XYJFISCASA-N 2 1 347.507 1.226 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCc3ccnn3C)C2)CC[NH+]1C ZINC001033358894 707684214 /nfs/dbraw/zinc/68/42/14/707684214.db2.gz RGHSQCNXBDUUNZ-XYJFISCASA-N 2 1 347.507 1.226 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCc3ccnn3C)C2)CC[NH+]1C ZINC001033358894 707684218 /nfs/dbraw/zinc/68/42/18/707684218.db2.gz RGHSQCNXBDUUNZ-XYJFISCASA-N 2 1 347.507 1.226 20 0 EDADMP Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001033396114 707734755 /nfs/dbraw/zinc/73/47/55/707734755.db2.gz LTJMDDXLWPTDDV-WBVHZDCISA-N 2 1 345.491 1.721 20 0 EDADMP Cc1cnc([C@@H](C)[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001033396114 707734759 /nfs/dbraw/zinc/73/47/59/707734759.db2.gz LTJMDDXLWPTDDV-WBVHZDCISA-N 2 1 345.491 1.721 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCOC1 ZINC001032736568 707750411 /nfs/dbraw/zinc/75/04/11/707750411.db2.gz UDADSDVIDIABAK-ILXRZTDVSA-N 2 1 330.432 1.083 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032736568 707750416 /nfs/dbraw/zinc/75/04/16/707750416.db2.gz UDADSDVIDIABAK-ILXRZTDVSA-N 2 1 330.432 1.083 20 0 EDADMP Cc1noc(CCC[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001033415935 707793148 /nfs/dbraw/zinc/79/31/48/707793148.db2.gz MSBRJHONTPFKBZ-GDBMZVCRSA-N 2 1 349.479 1.328 20 0 EDADMP Cc1noc(CCC[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033415935 707793153 /nfs/dbraw/zinc/79/31/53/707793153.db2.gz MSBRJHONTPFKBZ-GDBMZVCRSA-N 2 1 349.479 1.328 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033415935 707793158 /nfs/dbraw/zinc/79/31/58/707793158.db2.gz MSBRJHONTPFKBZ-GDBMZVCRSA-N 2 1 349.479 1.328 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCc3ccns3)C2)C1 ZINC001033421481 707835090 /nfs/dbraw/zinc/83/50/90/707835090.db2.gz YEMRCQPDLHNWHP-HUUCEWRRSA-N 2 1 336.505 1.560 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCc3ccns3)C2)C1 ZINC001033421481 707835093 /nfs/dbraw/zinc/83/50/93/707835093.db2.gz YEMRCQPDLHNWHP-HUUCEWRRSA-N 2 1 336.505 1.560 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCc3ccns3)C2)C1 ZINC001033421481 707835096 /nfs/dbraw/zinc/83/50/96/707835096.db2.gz YEMRCQPDLHNWHP-HUUCEWRRSA-N 2 1 336.505 1.560 20 0 EDADMP COCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033421720 707835794 /nfs/dbraw/zinc/83/57/94/707835794.db2.gz GUNBNBHHBAJZTL-SFHVURJKSA-N 2 1 333.476 1.583 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001033225448 707853677 /nfs/dbraw/zinc/85/36/77/707853677.db2.gz HDOGONOZRYPUHS-IAGOWNOFSA-N 2 1 335.492 1.717 20 0 EDADMP Cc1noc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)n1 ZINC001004981260 707858675 /nfs/dbraw/zinc/85/86/75/707858675.db2.gz MHADBMXXIYXSLC-ZFWWWQNUSA-N 2 1 347.463 1.333 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001033474619 707964079 /nfs/dbraw/zinc/96/40/79/707964079.db2.gz ITPCROWPRYGKHT-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CCc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001032780973 707966108 /nfs/dbraw/zinc/96/61/08/707966108.db2.gz FQHFRNAVAHDUHH-QYZOEREBSA-N 2 1 327.472 1.986 20 0 EDADMP CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001032780973 707966112 /nfs/dbraw/zinc/96/61/12/707966112.db2.gz FQHFRNAVAHDUHH-QYZOEREBSA-N 2 1 327.472 1.986 20 0 EDADMP CCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001032780973 707966115 /nfs/dbraw/zinc/96/61/15/707966115.db2.gz FQHFRNAVAHDUHH-QYZOEREBSA-N 2 1 327.472 1.986 20 0 EDADMP CCc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001032780973 707966118 /nfs/dbraw/zinc/96/61/18/707966118.db2.gz FQHFRNAVAHDUHH-QYZOEREBSA-N 2 1 327.472 1.986 20 0 EDADMP CCc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001032780973 707966121 /nfs/dbraw/zinc/96/61/21/707966121.db2.gz FQHFRNAVAHDUHH-QYZOEREBSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CCCCC1 ZINC001032784920 707988254 /nfs/dbraw/zinc/98/82/54/707988254.db2.gz PIWUFYAGSWTZNU-WDSOQIARSA-N 2 1 347.503 1.740 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CCCCC1 ZINC001032784920 707988258 /nfs/dbraw/zinc/98/82/58/707988258.db2.gz PIWUFYAGSWTZNU-WDSOQIARSA-N 2 1 347.503 1.740 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3cnon3)C2)CC1 ZINC001000594252 708051539 /nfs/dbraw/zinc/05/15/39/708051539.db2.gz VTSGLFDAFAEYHK-OAHLLOKOSA-N 2 1 335.452 1.271 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC001033591325 708288939 /nfs/dbraw/zinc/28/89/39/708288939.db2.gz AOALIKDZWPIYHC-SFHVURJKSA-N 2 1 349.519 1.822 20 0 EDADMP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC001001824446 708326931 /nfs/dbraw/zinc/32/69/31/708326931.db2.gz HIVJQQCWTUGINJ-KDOFPFPSSA-N 2 1 345.491 1.311 20 0 EDADMP CCc1cnc(CN2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC001001832783 708358323 /nfs/dbraw/zinc/35/83/23/708358323.db2.gz HPLKBYHQSJQVHX-PBHICJAKSA-N 2 1 348.491 1.763 20 0 EDADMP CCc1cnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC001001832783 708358327 /nfs/dbraw/zinc/35/83/27/708358327.db2.gz HPLKBYHQSJQVHX-PBHICJAKSA-N 2 1 348.491 1.763 20 0 EDADMP CCc1cnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC001001832783 708358331 /nfs/dbraw/zinc/35/83/31/708358331.db2.gz HPLKBYHQSJQVHX-PBHICJAKSA-N 2 1 348.491 1.763 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)s1 ZINC001033664745 708446493 /nfs/dbraw/zinc/44/64/93/708446493.db2.gz IKUKZRUUHBBRLT-OAHLLOKOSA-N 2 1 347.488 1.998 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)s1 ZINC001033664745 708446494 /nfs/dbraw/zinc/44/64/94/708446494.db2.gz IKUKZRUUHBBRLT-OAHLLOKOSA-N 2 1 347.488 1.998 20 0 EDADMP Cc1nsc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033665811 708449731 /nfs/dbraw/zinc/44/97/31/708449731.db2.gz RRKIDQSSRBYWTP-CABCVRRESA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033665811 708449734 /nfs/dbraw/zinc/44/97/34/708449734.db2.gz RRKIDQSSRBYWTP-CABCVRRESA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033665811 708449735 /nfs/dbraw/zinc/44/97/35/708449735.db2.gz RRKIDQSSRBYWTP-CABCVRRESA-N 2 1 336.505 1.744 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2oc(C)nc2C)C1 ZINC001033774467 708673519 /nfs/dbraw/zinc/67/35/19/708673519.db2.gz JULHFJHJYWGRHD-CVEARBPZSA-N 2 1 334.464 1.808 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2oc(C)nc2C)C1 ZINC001033774467 708673521 /nfs/dbraw/zinc/67/35/21/708673521.db2.gz JULHFJHJYWGRHD-CVEARBPZSA-N 2 1 334.464 1.808 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2oc(C)nc2C)C1 ZINC001033774467 708673523 /nfs/dbraw/zinc/67/35/23/708673523.db2.gz JULHFJHJYWGRHD-CVEARBPZSA-N 2 1 334.464 1.808 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2oc(C)nc2C)C1 ZINC001033774467 708673526 /nfs/dbraw/zinc/67/35/26/708673526.db2.gz JULHFJHJYWGRHD-CVEARBPZSA-N 2 1 334.464 1.808 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001033775208 708675122 /nfs/dbraw/zinc/67/51/22/708675122.db2.gz LSVDWHDNWNLXQL-QZTJIDSGSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC001033775208 708675125 /nfs/dbraw/zinc/67/51/25/708675125.db2.gz LSVDWHDNWNLXQL-QZTJIDSGSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001033775208 708675128 /nfs/dbraw/zinc/67/51/28/708675128.db2.gz LSVDWHDNWNLXQL-QZTJIDSGSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001033775208 708675129 /nfs/dbraw/zinc/67/51/29/708675129.db2.gz LSVDWHDNWNLXQL-QZTJIDSGSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033826713 708820815 /nfs/dbraw/zinc/82/08/15/708820815.db2.gz UABONEGLRRLMSQ-IAGOWNOFSA-N 2 1 348.495 1.074 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001033826713 708820817 /nfs/dbraw/zinc/82/08/17/708820817.db2.gz UABONEGLRRLMSQ-IAGOWNOFSA-N 2 1 348.495 1.074 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001033826713 708820818 /nfs/dbraw/zinc/82/08/18/708820818.db2.gz UABONEGLRRLMSQ-IAGOWNOFSA-N 2 1 348.495 1.074 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3cncn3C)CC2)CC[N@@H+]1C ZINC001005414292 708930980 /nfs/dbraw/zinc/93/09/80/708930980.db2.gz DOFATAUQDGULLA-ZWKOTPCHSA-N 2 1 347.507 1.573 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3cncn3C)CC2)CC[N@H+]1C ZINC001005414292 708930981 /nfs/dbraw/zinc/93/09/81/708930981.db2.gz DOFATAUQDGULLA-ZWKOTPCHSA-N 2 1 347.507 1.573 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC[NH+](CCC2CC2)CC1 ZINC001005423900 708941804 /nfs/dbraw/zinc/94/18/04/708941804.db2.gz GOZTUYFMTICTPY-ZWKOTPCHSA-N 2 1 335.492 1.573 20 0 EDADMP Cc1cc(C)cc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC001002522656 709076750 /nfs/dbraw/zinc/07/67/50/709076750.db2.gz LTVHUOBBMUEBNG-IBGZPJMESA-N 2 1 345.487 1.715 20 0 EDADMP Cc1cc(C)cc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC001002522656 709076751 /nfs/dbraw/zinc/07/67/51/709076751.db2.gz LTVHUOBBMUEBNG-IBGZPJMESA-N 2 1 345.487 1.715 20 0 EDADMP CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033930773 709080637 /nfs/dbraw/zinc/08/06/37/709080637.db2.gz ANHUWQISJMZOTF-DLBZAZTESA-N 2 1 325.497 1.819 20 0 EDADMP CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033930773 709080641 /nfs/dbraw/zinc/08/06/41/709080641.db2.gz ANHUWQISJMZOTF-DLBZAZTESA-N 2 1 325.497 1.819 20 0 EDADMP CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033930773 709080645 /nfs/dbraw/zinc/08/06/45/709080645.db2.gz ANHUWQISJMZOTF-DLBZAZTESA-N 2 1 325.497 1.819 20 0 EDADMP CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033930773 709080649 /nfs/dbraw/zinc/08/06/49/709080649.db2.gz ANHUWQISJMZOTF-DLBZAZTESA-N 2 1 325.497 1.819 20 0 EDADMP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c(C)c1 ZINC001002536528 709093935 /nfs/dbraw/zinc/09/39/35/709093935.db2.gz RZPMCGYLFONMNG-IBGZPJMESA-N 2 1 345.487 1.715 20 0 EDADMP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c(C)c1 ZINC001002536528 709093937 /nfs/dbraw/zinc/09/39/37/709093937.db2.gz RZPMCGYLFONMNG-IBGZPJMESA-N 2 1 345.487 1.715 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001005474937 709111140 /nfs/dbraw/zinc/11/11/40/709111140.db2.gz FGBMFWBBSOOQRE-WBVHZDCISA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033939290 709144199 /nfs/dbraw/zinc/14/41/99/709144199.db2.gz GPBQYLAFAQDKHH-WBVHZDCISA-N 2 1 334.464 1.059 20 0 EDADMP CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033939290 709144203 /nfs/dbraw/zinc/14/42/03/709144203.db2.gz GPBQYLAFAQDKHH-WBVHZDCISA-N 2 1 334.464 1.059 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034014632 709229652 /nfs/dbraw/zinc/22/96/52/709229652.db2.gz ZSCALPZJAOAYQE-MRXNPFEDSA-N 2 1 346.475 1.756 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034014632 709229653 /nfs/dbraw/zinc/22/96/53/709229653.db2.gz ZSCALPZJAOAYQE-MRXNPFEDSA-N 2 1 346.475 1.756 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001034017351 709234647 /nfs/dbraw/zinc/23/46/47/709234647.db2.gz RESDUHBRYDVCDM-DLBZAZTESA-N 2 1 335.492 1.432 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC001002790914 709398571 /nfs/dbraw/zinc/39/85/71/709398571.db2.gz CAWFDFKDZMFTIQ-MAUKXSAKSA-N 2 1 345.491 1.991 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC001002790914 709398573 /nfs/dbraw/zinc/39/85/73/709398573.db2.gz CAWFDFKDZMFTIQ-MAUKXSAKSA-N 2 1 345.491 1.991 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034136167 709407199 /nfs/dbraw/zinc/40/71/99/709407199.db2.gz JAMOCISEUIRKIR-IAGOWNOFSA-N 2 1 333.480 1.293 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034136167 709407200 /nfs/dbraw/zinc/40/72/00/709407200.db2.gz JAMOCISEUIRKIR-IAGOWNOFSA-N 2 1 333.480 1.293 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034136167 709407202 /nfs/dbraw/zinc/40/72/02/709407202.db2.gz JAMOCISEUIRKIR-IAGOWNOFSA-N 2 1 333.480 1.293 20 0 EDADMP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001002808677 709411129 /nfs/dbraw/zinc/41/11/29/709411129.db2.gz FBIFQHRRTALRDQ-PKOBYXMFSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1oncc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002811708 709417576 /nfs/dbraw/zinc/41/75/76/709417576.db2.gz QQUFCTIYIJAZBH-QAPCUYQASA-N 2 1 346.475 1.938 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002853325 709463418 /nfs/dbraw/zinc/46/34/18/709463418.db2.gz XRBGEKJFNZBWDB-GDBMZVCRSA-N 2 1 348.495 1.027 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002853325 709463419 /nfs/dbraw/zinc/46/34/19/709463419.db2.gz XRBGEKJFNZBWDB-GDBMZVCRSA-N 2 1 348.495 1.027 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001002953778 709654149 /nfs/dbraw/zinc/65/41/49/709654149.db2.gz CKTOFBWDHGRFPJ-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](CCn2cccn2)C1)C12CCC[NH+]1CCC2 ZINC001034290065 709714704 /nfs/dbraw/zinc/71/47/04/709714704.db2.gz FLSULADZDHGOGD-KRWDZBQOSA-N 2 1 345.491 1.482 20 0 EDADMP Cn1nccc1CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001003067823 709919508 /nfs/dbraw/zinc/91/95/08/709919508.db2.gz MBCIBWKICYENDP-HZPDHXFCSA-N 2 1 342.447 1.070 20 0 EDADMP Cc1nocc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034397731 709938692 /nfs/dbraw/zinc/93/86/92/709938692.db2.gz KSJOFLDAXSQVFD-WMLDXEAASA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nocc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001034397731 709938693 /nfs/dbraw/zinc/93/86/93/709938693.db2.gz KSJOFLDAXSQVFD-WMLDXEAASA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nocc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034397731 709938696 /nfs/dbraw/zinc/93/86/96/709938696.db2.gz KSJOFLDAXSQVFD-WMLDXEAASA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nocc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034397731 709938699 /nfs/dbraw/zinc/93/86/99/709938699.db2.gz KSJOFLDAXSQVFD-WMLDXEAASA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nccnc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034400950 709944919 /nfs/dbraw/zinc/94/49/19/709944919.db2.gz YVHOCUVKOYEDKP-WBVHZDCISA-N 2 1 345.491 1.740 20 0 EDADMP Cc1nccnc1C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034400950 709944921 /nfs/dbraw/zinc/94/49/21/709944921.db2.gz YVHOCUVKOYEDKP-WBVHZDCISA-N 2 1 345.491 1.740 20 0 EDADMP Cc1nccnc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034400950 709944922 /nfs/dbraw/zinc/94/49/22/709944922.db2.gz YVHOCUVKOYEDKP-WBVHZDCISA-N 2 1 345.491 1.740 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034400950 709944923 /nfs/dbraw/zinc/94/49/23/709944923.db2.gz YVHOCUVKOYEDKP-WBVHZDCISA-N 2 1 345.491 1.740 20 0 EDADMP Cc1ncccc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001003136956 710029381 /nfs/dbraw/zinc/02/93/81/710029381.db2.gz GTCGMQDNRHAVKX-RDTXWAMCSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1ncccc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001003136956 710029385 /nfs/dbraw/zinc/02/93/85/710029385.db2.gz GTCGMQDNRHAVKX-RDTXWAMCSA-N 2 1 346.475 1.190 20 0 EDADMP Cn1cc(C[N@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490458 710109013 /nfs/dbraw/zinc/10/90/13/710109013.db2.gz LMYHIGDEKFWFKJ-RDJZCZTQSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1cc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034490458 710109015 /nfs/dbraw/zinc/10/90/15/710109015.db2.gz LMYHIGDEKFWFKJ-RDJZCZTQSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1cc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034490458 710109017 /nfs/dbraw/zinc/10/90/17/710109017.db2.gz LMYHIGDEKFWFKJ-RDJZCZTQSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1nccc1C[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034491438 710111345 /nfs/dbraw/zinc/11/13/45/710111345.db2.gz UWTGZJJWNGJPJB-HZPDHXFCSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1nccc1C[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034491438 710111347 /nfs/dbraw/zinc/11/13/47/710111347.db2.gz UWTGZJJWNGJPJB-HZPDHXFCSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1nccc1C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034491438 710111350 /nfs/dbraw/zinc/11/13/50/710111350.db2.gz UWTGZJJWNGJPJB-HZPDHXFCSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1nccc1C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034491438 710111354 /nfs/dbraw/zinc/11/13/54/710111354.db2.gz UWTGZJJWNGJPJB-HZPDHXFCSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001034526658 710178855 /nfs/dbraw/zinc/17/88/55/710178855.db2.gz AWSPYWURDXHTSP-IRXDYDNUSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001034526658 710178859 /nfs/dbraw/zinc/17/88/59/710178859.db2.gz AWSPYWURDXHTSP-IRXDYDNUSA-N 2 1 334.464 1.731 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000423590354 710228834 /nfs/dbraw/zinc/22/88/34/710228834.db2.gz IGPRVQAVZVZFAZ-IACUBPJLSA-N 2 1 329.366 1.760 20 0 EDADMP O=C(NC1CC[NH+](C/C=C\Cl)CC1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001003333707 710257849 /nfs/dbraw/zinc/25/78/49/710257849.db2.gz SJALKBCQCVAFBS-BJIKQIKSSA-N 2 1 339.867 1.183 20 0 EDADMP COc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001034610910 710284909 /nfs/dbraw/zinc/28/49/09/710284909.db2.gz GIEIZINDDCGREY-MPGHIAIKSA-N 2 1 346.475 1.701 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001034611603 710286293 /nfs/dbraw/zinc/28/62/93/710286293.db2.gz MDRHPSXPDFEYHG-KKUMJFAQSA-N 2 1 349.479 1.804 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001034611603 710286296 /nfs/dbraw/zinc/28/62/96/710286296.db2.gz MDRHPSXPDFEYHG-KKUMJFAQSA-N 2 1 349.479 1.804 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCOCC3)CC2)CC[N@H+]1C ZINC001034648306 710325083 /nfs/dbraw/zinc/32/50/83/710325083.db2.gz CYOMKEFLAWMUPP-VDHUWJSZSA-N 2 1 337.508 1.770 20 0 EDADMP CC[C@@H](C(=O)N1CCC(C)([NH+]2CCC2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000922171672 710337493 /nfs/dbraw/zinc/33/74/93/710337493.db2.gz NNJBPWKAKJOAJE-SJORKVTESA-N 2 1 337.508 1.963 20 0 EDADMP CC[C@@H](C(=O)N1CCC(C)([NH+]2CCC2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000922171672 710337494 /nfs/dbraw/zinc/33/74/94/710337494.db2.gz NNJBPWKAKJOAJE-SJORKVTESA-N 2 1 337.508 1.963 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001003624054 710453730 /nfs/dbraw/zinc/45/37/30/710453730.db2.gz JZPHRMZPKFYDSY-INIZCTEOSA-N 2 1 330.476 1.955 20 0 EDADMP CCc1noc(C)c1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003626127 710455151 /nfs/dbraw/zinc/45/51/51/710455151.db2.gz MKRXZOHNFLMEDZ-CQSZACIVSA-N 2 1 348.491 1.968 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CCC3CCOCC3)CC2)C1 ZINC001003626436 710455526 /nfs/dbraw/zinc/45/55/26/710455526.db2.gz OUDPWDSNURBZOX-INIZCTEOSA-N 2 1 337.508 1.726 20 0 EDADMP COc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)ccn1 ZINC001003632659 710461416 /nfs/dbraw/zinc/46/14/16/710461416.db2.gz BNGHNMMMOJIZND-YOEHRIQHSA-N 2 1 346.475 1.369 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003636868 710461533 /nfs/dbraw/zinc/46/15/33/710461533.db2.gz XUEKRCSCHZWGNC-SMDDNHRTSA-N 2 1 337.493 1.125 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003636868 710461535 /nfs/dbraw/zinc/46/15/35/710461535.db2.gz XUEKRCSCHZWGNC-SMDDNHRTSA-N 2 1 337.493 1.125 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](Cc2cncn2C)CC1)[NH+]1CCCCCC1 ZINC001003736640 710517769 /nfs/dbraw/zinc/51/77/69/710517769.db2.gz UWHFNAHANZZAMV-INIZCTEOSA-N 2 1 347.507 1.765 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1)c1cnccn1 ZINC001034733782 710914361 /nfs/dbraw/zinc/91/43/61/710914361.db2.gz CTFFCPBJDNSJGO-YVSFHVDLSA-N 2 1 345.491 1.896 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001034734804 710917682 /nfs/dbraw/zinc/91/76/82/710917682.db2.gz ZOGQGEXZMCFUTN-BRWVUGGUSA-N 2 1 347.507 1.762 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034735621 710920740 /nfs/dbraw/zinc/92/07/40/710920740.db2.gz JMLCELOBMINFLX-BRWVUGGUSA-N 2 1 333.480 1.384 20 0 EDADMP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034739209 710933408 /nfs/dbraw/zinc/93/34/08/710933408.db2.gz ZEGSYKMPVTYUIG-JKQORVJESA-N 2 1 348.495 1.013 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032958950 710981821 /nfs/dbraw/zinc/98/18/21/710981821.db2.gz CKBINHXGGNABLW-HUUCEWRRSA-N 2 1 336.505 1.621 20 0 EDADMP Cc1ncsc1CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032958950 710981823 /nfs/dbraw/zinc/98/18/23/710981823.db2.gz CKBINHXGGNABLW-HUUCEWRRSA-N 2 1 336.505 1.621 20 0 EDADMP Cc1ncsc1CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032958950 710981825 /nfs/dbraw/zinc/98/18/25/710981825.db2.gz CKBINHXGGNABLW-HUUCEWRRSA-N 2 1 336.505 1.621 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC001034776698 711054145 /nfs/dbraw/zinc/05/41/45/711054145.db2.gz XUUHBPSFYFQHIM-XLAORIBOSA-N 2 1 337.508 1.914 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)CC1 ZINC001034794413 711111003 /nfs/dbraw/zinc/11/10/03/711111003.db2.gz GRZJSBMXXBPOTQ-WKILWMFISA-N 2 1 344.463 1.185 20 0 EDADMP COc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001034791922 711117861 /nfs/dbraw/zinc/11/78/61/711117861.db2.gz YJDCBAMDUVHFDC-JYJNAYRXSA-N 2 1 346.475 1.559 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001034792932 711120800 /nfs/dbraw/zinc/12/08/00/711120800.db2.gz PGDCPLCWINCOMN-BZUAXINKSA-N 2 1 331.464 1.254 20 0 EDADMP CO[C@@H](C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC001003972974 711128271 /nfs/dbraw/zinc/12/82/71/711128271.db2.gz CIVARKRUMFHVMN-YJBOKZPZSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001003977090 711147908 /nfs/dbraw/zinc/14/79/08/711147908.db2.gz VHFFCCZJYYVACG-GJZGRUSLSA-N 2 1 334.464 1.966 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001003977090 711147912 /nfs/dbraw/zinc/14/79/12/711147912.db2.gz VHFFCCZJYYVACG-GJZGRUSLSA-N 2 1 334.464 1.966 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001005724803 711173697 /nfs/dbraw/zinc/17/36/97/711173697.db2.gz ZHYTXJBOWUPVFK-CQSZACIVSA-N 2 1 334.464 1.066 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]C[C@@H]3CCCCO3)cc2)C1 ZINC001034832483 711238901 /nfs/dbraw/zinc/23/89/01/711238901.db2.gz WOUZXLYTWCRCIM-OALUTQOASA-N 2 1 345.487 1.913 20 0 EDADMP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC001034936533 711381715 /nfs/dbraw/zinc/38/17/15/711381715.db2.gz RCAWELGNNNPREM-QZTJIDSGSA-N 2 1 345.491 1.738 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1O ZINC000922388049 711429578 /nfs/dbraw/zinc/42/95/78/711429578.db2.gz NTHQVAGPIRKPQF-OPNNQBFTSA-N 2 1 334.460 1.970 20 0 EDADMP CCCn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034939862 711442813 /nfs/dbraw/zinc/44/28/13/711442813.db2.gz PBNGWACGOVVHGL-BZUAXINKSA-N 2 1 348.495 1.109 20 0 EDADMP CCCn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034939862 711442815 /nfs/dbraw/zinc/44/28/15/711442815.db2.gz PBNGWACGOVVHGL-BZUAXINKSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001034939868 711442820 /nfs/dbraw/zinc/44/28/20/711442820.db2.gz PISIHTKVZGWHLC-KBRIMQKVSA-N 2 1 331.464 1.206 20 0 EDADMP COc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC001034972198 711452028 /nfs/dbraw/zinc/45/20/28/711452028.db2.gz CUNJUNYKORLSGW-SJLPKXTDSA-N 2 1 346.475 1.655 20 0 EDADMP CCc1ncc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](CC)[C@H]3C(C)C)C[C@H]2O)cn1 ZINC000922394643 711461308 /nfs/dbraw/zinc/46/13/08/711461308.db2.gz PWZNKLDEYUALOF-FPAYPSAMSA-N 2 1 332.492 1.998 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCCO)CC1 ZINC001004473823 711850338 /nfs/dbraw/zinc/85/03/38/711850338.db2.gz LXXTYNPJARSRNF-ZWKOTPCHSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004473823 711850340 /nfs/dbraw/zinc/85/03/40/711850340.db2.gz LXXTYNPJARSRNF-ZWKOTPCHSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004473823 711850341 /nfs/dbraw/zinc/85/03/41/711850341.db2.gz LXXTYNPJARSRNF-ZWKOTPCHSA-N 2 1 337.508 1.556 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2nccn2C)CC1 ZINC001004500207 711884879 /nfs/dbraw/zinc/88/48/79/711884879.db2.gz UYKVICZOOAQEBB-QGZVFWFLSA-N 2 1 348.491 1.702 20 0 EDADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946621461 711908326 /nfs/dbraw/zinc/90/83/26/711908326.db2.gz ZENUAKDWKBWNGQ-YESZJQIVSA-N 2 1 337.508 1.676 20 0 EDADMP CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623104 711921625 /nfs/dbraw/zinc/92/16/25/711921625.db2.gz BPEOVQSONYNXNL-KSZLIROESA-N 2 1 347.507 1.394 20 0 EDADMP CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623104 711921627 /nfs/dbraw/zinc/92/16/27/711921627.db2.gz BPEOVQSONYNXNL-KSZLIROESA-N 2 1 347.507 1.394 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633221 712055276 /nfs/dbraw/zinc/05/52/76/712055276.db2.gz NOJXWZOHNNRXEB-BBWFWOEESA-N 2 1 325.497 1.389 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3Cc3cnon3)CC2)C1 ZINC001004616957 712076620 /nfs/dbraw/zinc/07/66/20/712076620.db2.gz NICLKFUQUPEJDO-RDJZCZTQSA-N 2 1 347.463 1.224 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3Cc3cnon3)CC2)C1 ZINC001004616957 712076622 /nfs/dbraw/zinc/07/66/22/712076622.db2.gz NICLKFUQUPEJDO-RDJZCZTQSA-N 2 1 347.463 1.224 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3Cc3cnon3)CC2)C1 ZINC001004616957 712076624 /nfs/dbraw/zinc/07/66/24/712076624.db2.gz NICLKFUQUPEJDO-RDJZCZTQSA-N 2 1 347.463 1.224 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[NH+]21)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946642640 712128222 /nfs/dbraw/zinc/12/82/22/712128222.db2.gz OJKRWDFDTYTDOX-FCGDIQPGSA-N 2 1 349.519 1.556 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946642640 712128223 /nfs/dbraw/zinc/12/82/23/712128223.db2.gz OJKRWDFDTYTDOX-FCGDIQPGSA-N 2 1 349.519 1.556 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946642640 712128225 /nfs/dbraw/zinc/12/82/25/712128225.db2.gz OJKRWDFDTYTDOX-FCGDIQPGSA-N 2 1 349.519 1.556 20 0 EDADMP CN(C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000174352014 231186945 /nfs/dbraw/zinc/18/69/45/231186945.db2.gz NDMINJWPXZKZRU-UHFFFAOYSA-N 2 1 344.503 1.600 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)C2 ZINC000355251361 282178827 /nfs/dbraw/zinc/17/88/27/282178827.db2.gz CXPRRKSUKSHCEO-DLBZAZTESA-N 2 1 330.476 1.944 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000558722704 306245974 /nfs/dbraw/zinc/24/59/74/306245974.db2.gz OIKMTBQXGQSMGE-JYJNAYRXSA-N 2 1 343.537 1.511 20 0 EDADMP CCC(CC)[C@H](C(=O)NCCC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000173385088 282253901 /nfs/dbraw/zinc/25/39/01/282253901.db2.gz GHMNVTAVYWVAJW-GOSISDBHSA-N 2 1 339.524 1.972 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000344154823 282276334 /nfs/dbraw/zinc/27/63/34/282276334.db2.gz HJIPJCVRTJFEBN-SZMVWBNQSA-N 2 1 339.524 1.970 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000344154823 282276337 /nfs/dbraw/zinc/27/63/37/282276337.db2.gz HJIPJCVRTJFEBN-SZMVWBNQSA-N 2 1 339.524 1.970 20 0 EDADMP C[N@@H+](CCOc1cccc(CNC(=O)C2([NH3+])CC2)c1)C1CCOCC1 ZINC000167347795 529925891 /nfs/dbraw/zinc/92/58/91/529925891.db2.gz SVWGEYNYQUTAAI-UHFFFAOYSA-N 2 1 347.459 1.284 20 0 EDADMP C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000181656303 530050050 /nfs/dbraw/zinc/05/00/50/530050050.db2.gz ZYEOWNQEMQYTHD-SFHVURJKSA-N 2 1 346.475 1.147 20 0 EDADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178674415 232362212 /nfs/dbraw/zinc/36/22/12/232362212.db2.gz FKCXIZWAUBLTSD-GOSISDBHSA-N 2 1 331.460 1.826 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433343813 539558313 /nfs/dbraw/zinc/55/83/13/539558313.db2.gz PJCUJUHNYVVQFM-HOTGVXAUSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[N@H+]1C1CC1 ZINC000333137057 539624455 /nfs/dbraw/zinc/62/44/55/539624455.db2.gz CNHWULHPDLEUKC-GYXIZQIFSA-N 2 1 349.523 1.127 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC2CCC([NH+]3CCNCC3)CC2)C[N@@H+]1C1CC1 ZINC000333137057 539624460 /nfs/dbraw/zinc/62/44/60/539624460.db2.gz CNHWULHPDLEUKC-GYXIZQIFSA-N 2 1 349.523 1.127 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC2CCC([NH+]3CCNCC3)CC2)C[N@H+]1C1CC1 ZINC000333137057 539624465 /nfs/dbraw/zinc/62/44/65/539624465.db2.gz CNHWULHPDLEUKC-GYXIZQIFSA-N 2 1 349.523 1.127 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000151051794 539734461 /nfs/dbraw/zinc/73/44/61/539734461.db2.gz AREAEPMYCGEVOC-HOTGVXAUSA-N 2 1 328.501 1.517 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000151051794 539734466 /nfs/dbraw/zinc/73/44/66/539734466.db2.gz AREAEPMYCGEVOC-HOTGVXAUSA-N 2 1 328.501 1.517 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000104077637 219346414 /nfs/dbraw/zinc/34/64/14/219346414.db2.gz RRICOHJNAPENHO-BRWVUGGUSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC[N@@H+](C2CC2)C1 ZINC000562746114 306307504 /nfs/dbraw/zinc/30/75/04/306307504.db2.gz NXSSDYNJIJDTFI-CQSZACIVSA-N 2 1 332.448 1.827 20 0 EDADMP C[C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC[N@H+](C2CC2)C1 ZINC000562746114 306307505 /nfs/dbraw/zinc/30/75/05/306307505.db2.gz NXSSDYNJIJDTFI-CQSZACIVSA-N 2 1 332.448 1.827 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000563198267 306322810 /nfs/dbraw/zinc/32/28/10/306322810.db2.gz MSNNBZCKEZTELC-CQSZACIVSA-N 2 1 344.459 1.543 20 0 EDADMP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000166100172 540074729 /nfs/dbraw/zinc/07/47/29/540074729.db2.gz ZMPNDIIEKVMSMJ-QZTJIDSGSA-N 2 1 329.492 1.550 20 0 EDADMP C[NH+]1CC[C@H]2CCN(CCCCN3CC[C@H]4CC[N@H+](C)[C@H]4C3)C[C@H]21 ZINC000370084319 283074888 /nfs/dbraw/zinc/07/48/88/283074888.db2.gz VBLZUAXJCQRHRW-JVSBHGNQSA-N 2 1 334.552 1.819 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(CCCCN3CC[C@@H]4CC[N@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000370084319 283074891 /nfs/dbraw/zinc/07/48/91/283074891.db2.gz VBLZUAXJCQRHRW-JVSBHGNQSA-N 2 1 334.552 1.819 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(CCCCN3CC[C@@H]4CC[N@@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000370084319 283074894 /nfs/dbraw/zinc/07/48/94/283074894.db2.gz VBLZUAXJCQRHRW-JVSBHGNQSA-N 2 1 334.552 1.819 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)[C@@H]2C1 ZINC000563390154 306331575 /nfs/dbraw/zinc/33/15/75/306331575.db2.gz OKUVJPUWFHNOGO-HYVNUMGLSA-N 2 1 337.533 1.757 20 0 EDADMP Cc1[nH]nc2ncc(C[N@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)cc12 ZINC000563462272 306334781 /nfs/dbraw/zinc/33/47/81/306334781.db2.gz VIDVUMWXMHCNJZ-CVEARBPZSA-N 2 1 327.432 1.467 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000357647785 283175688 /nfs/dbraw/zinc/17/56/88/283175688.db2.gz HWARSZMMQZRPML-SJORKVTESA-N 2 1 342.528 1.763 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000357647785 283175690 /nfs/dbraw/zinc/17/56/90/283175690.db2.gz HWARSZMMQZRPML-SJORKVTESA-N 2 1 342.528 1.763 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000073880235 138221905 /nfs/dbraw/zinc/22/19/05/138221905.db2.gz MOXVMQPAIWFGEZ-SFHVURJKSA-N 2 1 344.459 1.862 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000073880235 138221906 /nfs/dbraw/zinc/22/19/06/138221906.db2.gz MOXVMQPAIWFGEZ-SFHVURJKSA-N 2 1 344.459 1.862 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000078588026 138258081 /nfs/dbraw/zinc/25/80/81/138258081.db2.gz FMWDZPSZVKQPCH-HZPDHXFCSA-N 2 1 328.501 1.373 20 0 EDADMP COC(=O)CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)C ZINC000093384020 138293299 /nfs/dbraw/zinc/29/32/99/138293299.db2.gz PCNXRLFTOZWVMU-UHFFFAOYSA-N 2 1 335.452 1.002 20 0 EDADMP COC(=O)CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)C ZINC000093384020 138293300 /nfs/dbraw/zinc/29/33/00/138293300.db2.gz PCNXRLFTOZWVMU-UHFFFAOYSA-N 2 1 335.452 1.002 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(NC(C)=O)c3)C2)CC1 ZINC000107371379 138304142 /nfs/dbraw/zinc/30/41/42/138304142.db2.gz JFRJYFWNQHKDPT-IBGZPJMESA-N 2 1 330.476 1.857 20 0 EDADMP CCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000133424102 138392881 /nfs/dbraw/zinc/39/28/81/138392881.db2.gz BVRCBINGNWRFSL-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000133424102 138392882 /nfs/dbraw/zinc/39/28/82/138392882.db2.gz BVRCBINGNWRFSL-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000133424102 138392883 /nfs/dbraw/zinc/39/28/83/138392883.db2.gz BVRCBINGNWRFSL-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000133424102 138392884 /nfs/dbraw/zinc/39/28/84/138392884.db2.gz BVRCBINGNWRFSL-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C[NH+]1CCCC1 ZINC000187629611 236265165 /nfs/dbraw/zinc/26/51/65/236265165.db2.gz KRGAXGINZUTGRX-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP Cc1nccnc1[C@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000187937753 236349801 /nfs/dbraw/zinc/34/98/01/236349801.db2.gz CBVLBZLGRHCQHV-HNNXBMFYSA-N 2 1 341.459 1.927 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000487083920 283333251 /nfs/dbraw/zinc/33/32/51/283333251.db2.gz LXGOERWBXKRYHR-OWCLPIDISA-N 2 1 325.522 1.899 20 0 EDADMP CC[C@@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)[NH+](CC)CC ZINC000346106905 535407195 /nfs/dbraw/zinc/40/71/95/535407195.db2.gz KCSJTYBMPRRKOB-KRWDZBQOSA-N 2 1 326.529 1.497 20 0 EDADMP C[C@@](O)(C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC000564560878 306360807 /nfs/dbraw/zinc/36/08/07/306360807.db2.gz HEHRWLGACUTJKD-HUUCEWRRSA-N 2 1 332.366 1.656 20 0 EDADMP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000564845337 306366949 /nfs/dbraw/zinc/36/69/49/306366949.db2.gz WMHHNIZEHPCNKO-SFHVURJKSA-N 2 1 332.444 1.845 20 0 EDADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000564937889 306370556 /nfs/dbraw/zinc/37/05/56/306370556.db2.gz ZXRMMXWYJWZGDN-NVXWUHKLSA-N 2 1 346.475 1.102 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000565195398 306377369 /nfs/dbraw/zinc/37/73/69/306377369.db2.gz LLCJGZBPIANSMT-KKUMJFAQSA-N 2 1 325.840 1.076 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000414704304 304130521 /nfs/dbraw/zinc/13/05/21/304130521.db2.gz MVXRDHVNBQGUPD-SJORKVTESA-N 2 1 344.459 1.478 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414786163 304140648 /nfs/dbraw/zinc/14/06/48/304140648.db2.gz UFUWVQNRDZSCPH-DLBZAZTESA-N 2 1 347.507 1.387 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000414834510 304146075 /nfs/dbraw/zinc/14/60/75/304146075.db2.gz SJZWPKSZZKKNCH-CJNGLKHVSA-N 2 1 344.459 1.778 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000414996017 304149318 /nfs/dbraw/zinc/14/93/18/304149318.db2.gz WTXBEPDFUMSBCV-INIZCTEOSA-N 2 1 346.475 1.677 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@@H]4C[NH2+]CCCO4)[C@H]3C2)cc1 ZINC000415036766 304153360 /nfs/dbraw/zinc/15/33/60/304153360.db2.gz KEYZXWFIGCQNRY-MUGJNUQGSA-N 2 1 329.488 1.865 20 0 EDADMP Cn1c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)nc2ccccc21 ZINC000415057628 304155151 /nfs/dbraw/zinc/15/51/51/304155151.db2.gz RVNPTIUFJOYPIC-UHFFFAOYSA-N 2 1 327.476 1.879 20 0 EDADMP COc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415143577 304164528 /nfs/dbraw/zinc/16/45/28/304164528.db2.gz SWJHXKJZJCFXIW-IAGOWNOFSA-N 2 1 344.459 1.415 20 0 EDADMP CC[C@@H](NC(=O)C[NH2+]CCOC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236902233 139034680 /nfs/dbraw/zinc/03/46/80/139034680.db2.gz FSXFUHAUUJUNJV-QZTJIDSGSA-N 2 1 349.475 1.018 20 0 EDADMP CC[C@@H](NC(=O)C[NH2+]CCOC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236902233 139034681 /nfs/dbraw/zinc/03/46/81/139034681.db2.gz FSXFUHAUUJUNJV-QZTJIDSGSA-N 2 1 349.475 1.018 20 0 EDADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1C[NH2+]CCO1 ZINC000237875449 139062486 /nfs/dbraw/zinc/06/24/86/139062486.db2.gz DXEBXVPWZGLTKL-CVEARBPZSA-N 2 1 337.851 1.582 20 0 EDADMP CO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000246146322 139096571 /nfs/dbraw/zinc/09/65/71/139096571.db2.gz SCDZFFFCDYIFGB-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000246146322 139096572 /nfs/dbraw/zinc/09/65/72/139096572.db2.gz SCDZFFFCDYIFGB-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@@H]1CCC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000246146322 139096573 /nfs/dbraw/zinc/09/65/73/139096573.db2.gz SCDZFFFCDYIFGB-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@@H]1CCC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000246146322 139096574 /nfs/dbraw/zinc/09/65/74/139096574.db2.gz SCDZFFFCDYIFGB-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000246468047 139109767 /nfs/dbraw/zinc/10/97/67/139109767.db2.gz VGDFFQKXOOTJGB-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000246468047 139109768 /nfs/dbraw/zinc/10/97/68/139109768.db2.gz VGDFFQKXOOTJGB-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000246426141 139108064 /nfs/dbraw/zinc/10/80/64/139108064.db2.gz AUWUSACXYIHERJ-WMLDXEAASA-N 2 1 328.501 1.109 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246967505 139128739 /nfs/dbraw/zinc/12/87/39/139128739.db2.gz OKRFWNJWABIDMU-PVAVHDDUSA-N 2 1 333.480 1.953 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246967505 139128740 /nfs/dbraw/zinc/12/87/40/139128740.db2.gz OKRFWNJWABIDMU-PVAVHDDUSA-N 2 1 333.480 1.953 20 0 EDADMP CC[NH2+]CCNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000415367739 304205730 /nfs/dbraw/zinc/20/57/30/304205730.db2.gz KVDBKRQGHVEHTB-CQSZACIVSA-N 2 1 346.475 1.711 20 0 EDADMP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC[C@@H](C)[NH3+])c2C1 ZINC000415376824 304207943 /nfs/dbraw/zinc/20/79/43/304207943.db2.gz NICRNWXICNPPBG-ZIAGYGMSSA-N 2 1 346.475 1.839 20 0 EDADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(-n2cnnn2)cc1 ZINC000248012244 139157380 /nfs/dbraw/zinc/15/73/80/139157380.db2.gz LJFJZCGWQUREDN-YJBOKZPZSA-N 2 1 344.463 1.550 20 0 EDADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248430299 139163464 /nfs/dbraw/zinc/16/34/64/139163464.db2.gz BPBHNYWFHBEXDM-VQIMIIECSA-N 2 1 347.503 1.990 20 0 EDADMP CC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCCO1 ZINC000248593566 139168446 /nfs/dbraw/zinc/16/84/46/139168446.db2.gz LSEUQNCYGGQVTN-YESZJQIVSA-N 2 1 341.496 1.007 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000248855775 139177815 /nfs/dbraw/zinc/17/78/15/139177815.db2.gz PGUPJLIPTGEWFL-SZVBFZGTSA-N 2 1 348.491 1.119 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000252656463 139204911 /nfs/dbraw/zinc/20/49/11/139204911.db2.gz GLMKYBPHQQVXDL-KBPBESRZSA-N 2 1 349.479 1.687 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000252656463 139204912 /nfs/dbraw/zinc/20/49/12/139204912.db2.gz GLMKYBPHQQVXDL-KBPBESRZSA-N 2 1 349.479 1.687 20 0 EDADMP COCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000261539839 139208746 /nfs/dbraw/zinc/20/87/46/139208746.db2.gz BSCRNXXPNDWCFO-QGZVFWFLSA-N 2 1 331.460 1.393 20 0 EDADMP [NH3+][C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000261627054 139212484 /nfs/dbraw/zinc/21/24/84/139212484.db2.gz CQEMUMDJADBUDT-IEBWSBKVSA-N 2 1 345.487 1.421 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261609965 139210761 /nfs/dbraw/zinc/21/07/61/139210761.db2.gz BVKWMJNYTHOEOV-UGSOOPFHSA-N 2 1 335.448 1.379 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261609965 139210762 /nfs/dbraw/zinc/21/07/62/139210762.db2.gz BVKWMJNYTHOEOV-UGSOOPFHSA-N 2 1 335.448 1.379 20 0 EDADMP CC(C)n1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000261642086 139213765 /nfs/dbraw/zinc/21/37/65/139213765.db2.gz IOYOATRRWHVLSD-DOTOQJQBSA-N 2 1 333.480 1.544 20 0 EDADMP CCCOc1ccc(OCC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000261653868 139214692 /nfs/dbraw/zinc/21/46/92/139214692.db2.gz JWHYJOSXVHLQLK-KRWDZBQOSA-N 2 1 333.476 1.834 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c2ccccc2n1 ZINC000261716872 139220064 /nfs/dbraw/zinc/22/00/64/139220064.db2.gz QGTNVLSVYKZAFH-OAHLLOKOSA-N 2 1 326.444 1.830 20 0 EDADMP COCC1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000261777940 139225220 /nfs/dbraw/zinc/22/52/20/139225220.db2.gz SDSPNVZJUBVKSP-GOSISDBHSA-N 2 1 345.487 1.783 20 0 EDADMP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261931925 139238183 /nfs/dbraw/zinc/23/81/83/139238183.db2.gz LPVSRZCAWMGBFT-MRXNPFEDSA-N 2 1 341.459 1.468 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262067864 139248205 /nfs/dbraw/zinc/24/82/05/139248205.db2.gz SEVZKKLNPBUXQT-ZTFGCOKTSA-N 2 1 331.460 1.692 20 0 EDADMP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262098298 139250791 /nfs/dbraw/zinc/25/07/91/139250791.db2.gz IJYZDZUYLRRKKI-AWEZNQCLSA-N 2 1 333.867 1.706 20 0 EDADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262098298 139250792 /nfs/dbraw/zinc/25/07/92/139250792.db2.gz IJYZDZUYLRRKKI-AWEZNQCLSA-N 2 1 333.867 1.706 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(-c2cnn(C)c2)c1 ZINC000262145338 139254893 /nfs/dbraw/zinc/25/48/93/139254893.db2.gz QHRPKTXXHGVVQW-IBGZPJMESA-N 2 1 339.487 1.875 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1c1cccs1 ZINC000262147748 139255237 /nfs/dbraw/zinc/25/52/37/139255237.db2.gz XHUYUQUJEATAAC-NYTXWWLZSA-N 2 1 337.489 1.754 20 0 EDADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)C1(CC)CC ZINC000262154347 139255692 /nfs/dbraw/zinc/25/56/92/139255692.db2.gz PKSNNWZHLJMOQA-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP COc1ccc(CC[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000262247306 139263335 /nfs/dbraw/zinc/26/33/35/139263335.db2.gz PRZVVVUPRKARCP-MJGOQNOKSA-N 2 1 345.487 1.818 20 0 EDADMP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262303495 139268231 /nfs/dbraw/zinc/26/82/31/139268231.db2.gz BTORMZOQWHQPNW-SMDDNHRTSA-N 2 1 329.366 1.991 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000417308476 251153415 /nfs/dbraw/zinc/15/34/15/251153415.db2.gz CRLSULCXALCEPP-JKSUJKDBSA-N 2 1 330.476 1.684 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417559719 251187078 /nfs/dbraw/zinc/18/70/78/251187078.db2.gz AFOMSDQVEIENBZ-GOSISDBHSA-N 2 1 348.491 1.310 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000417667359 251220613 /nfs/dbraw/zinc/22/06/13/251220613.db2.gz GJQGSEMAULDFSE-XHSDSOJGSA-N 2 1 326.485 1.127 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000417666359 251218902 /nfs/dbraw/zinc/21/89/02/251218902.db2.gz CPVVELCNQNKOPE-BPUTZDHNSA-N 2 1 326.485 1.160 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)[nH+]1 ZINC000417688880 251230065 /nfs/dbraw/zinc/23/00/65/251230065.db2.gz FMEXUNSXCVFXRH-XJKSGUPXSA-N 2 1 331.464 1.738 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000417671726 251222813 /nfs/dbraw/zinc/22/28/13/251222813.db2.gz QZBJAVQFUYNUKG-OAGGEKHMSA-N 2 1 326.485 1.256 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH2+]C[C@@H]2C)[C@H](C)C1 ZINC000417670642 251222908 /nfs/dbraw/zinc/22/29/08/251222908.db2.gz OPHZTEBXJORKKH-PMPSAXMXSA-N 2 1 326.485 1.127 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)Cc2ccccc2C1 ZINC000417735626 251248711 /nfs/dbraw/zinc/24/87/11/251248711.db2.gz LKLODBBJYAIBGY-SFHVURJKSA-N 2 1 348.466 1.429 20 0 EDADMP C[C@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417734156 251248803 /nfs/dbraw/zinc/24/88/03/251248803.db2.gz VEODYXKWSHOPHK-MRXNPFEDSA-N 2 1 334.464 1.125 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N3CC[C@H]([NH3+])[C@H](C)C3)CC2)[nH+]c1 ZINC000417735443 251249437 /nfs/dbraw/zinc/24/94/37/251249437.db2.gz SSNTVFBVMFZJEB-ZBFHGGJFSA-N 2 1 331.464 1.738 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417792984 251272458 /nfs/dbraw/zinc/27/24/58/251272458.db2.gz LCKBKNRCAURIIY-TVFCKZIOSA-N 2 1 334.508 1.938 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000418122887 251335630 /nfs/dbraw/zinc/33/56/30/251335630.db2.gz YCXYPKQQRDNBAZ-LSDHHAIUSA-N 2 1 329.448 1.463 20 0 EDADMP CN(C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000418076291 251320710 /nfs/dbraw/zinc/32/07/10/251320710.db2.gz IUWUZUYOONIZFN-INIZCTEOSA-N 2 1 334.489 1.217 20 0 EDADMP CN(C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000418076291 251320713 /nfs/dbraw/zinc/32/07/13/251320713.db2.gz IUWUZUYOONIZFN-INIZCTEOSA-N 2 1 334.489 1.217 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCCO[C@H](C[NH3+])C1)CCC(F)(F)F ZINC000418078013 251321268 /nfs/dbraw/zinc/32/12/68/251321268.db2.gz MZLWDWKEVXDDCO-GFCCVEGCSA-N 2 1 340.390 1.020 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418110020 251324372 /nfs/dbraw/zinc/32/43/72/251324372.db2.gz VSVBMNOHNJXWBY-KURKYZTESA-N 2 1 328.460 1.369 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418108468 251325090 /nfs/dbraw/zinc/32/50/90/251325090.db2.gz RMBSZDLMXGKUQT-FUHWJXTLSA-N 2 1 330.476 1.807 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH2+]Cc2cccnc2)C[N@H+]1C1CC1 ZINC000417854366 251298876 /nfs/dbraw/zinc/29/88/76/251298876.db2.gz JPFQHXZSHADCSD-ZBFHGGJFSA-N 2 1 331.464 1.486 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000418429355 251368622 /nfs/dbraw/zinc/36/86/22/251368622.db2.gz RZILNZBDZIAJFA-UHFFFAOYSA-N 2 1 327.517 1.219 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000418434231 251369989 /nfs/dbraw/zinc/36/99/89/251369989.db2.gz FCBJYNLGPSZPAA-BZUAXINKSA-N 2 1 340.512 1.787 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000418201814 251355798 /nfs/dbraw/zinc/35/57/98/251355798.db2.gz SPTYAKZSOFIHBG-NVXWUHKLSA-N 2 1 333.480 1.858 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000418201814 251355802 /nfs/dbraw/zinc/35/58/02/251355802.db2.gz SPTYAKZSOFIHBG-NVXWUHKLSA-N 2 1 333.480 1.858 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000418201814 251355806 /nfs/dbraw/zinc/35/58/06/251355806.db2.gz SPTYAKZSOFIHBG-NVXWUHKLSA-N 2 1 333.480 1.858 20 0 EDADMP CC[NH2+]CCNC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418321833 251359804 /nfs/dbraw/zinc/35/98/04/251359804.db2.gz CRTJNKBEBUAFPC-KRWDZBQOSA-N 2 1 333.480 1.687 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000418704817 251390104 /nfs/dbraw/zinc/39/01/04/251390104.db2.gz GLTRDTPGQSFCDA-MRXNPFEDSA-N 2 1 333.480 1.187 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418679870 251384187 /nfs/dbraw/zinc/38/41/87/251384187.db2.gz BZHXZAOBRGGNEH-LVQVYYBASA-N 2 1 326.485 1.397 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418679870 251384190 /nfs/dbraw/zinc/38/41/90/251384190.db2.gz BZHXZAOBRGGNEH-LVQVYYBASA-N 2 1 326.485 1.397 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000418706151 251389296 /nfs/dbraw/zinc/38/92/96/251389296.db2.gz FHTPYESCIGPRNJ-MRXNPFEDSA-N 2 1 328.501 1.504 20 0 EDADMP C[C@@H](CC(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1)C1CC[NH2+]CC1 ZINC000262804589 139304949 /nfs/dbraw/zinc/30/49/49/139304949.db2.gz OGRAPAMBSPUZJX-LBPRGKRZSA-N 2 1 342.447 1.895 20 0 EDADMP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[C@H](C[NH3+])OC)CC2)c1 ZINC000262869988 139309232 /nfs/dbraw/zinc/30/92/32/139309232.db2.gz MFQMLHCVGRHIRO-RHSMWYFYSA-N 2 1 335.448 1.264 20 0 EDADMP [NH3+]CCCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)nn1 ZINC000423414276 252054075 /nfs/dbraw/zinc/05/40/75/252054075.db2.gz MNPJRPLXYOKGLY-OAHLLOKOSA-N 2 1 334.468 1.011 20 0 EDADMP [NH3+]C1(CNC(=O)CC[C@H]2CC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000424024294 252117888 /nfs/dbraw/zinc/11/78/88/252117888.db2.gz WWVVUTLGBASROM-KRWDZBQOSA-N 2 1 344.503 1.486 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000423795941 252079686 /nfs/dbraw/zinc/07/96/86/252079686.db2.gz KYZNPJWSXXPWDW-IEBWSBKVSA-N 2 1 330.476 1.752 20 0 EDADMP Cn1cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424142559 252141388 /nfs/dbraw/zinc/14/13/88/252141388.db2.gz YKQRWXPWSWVFMV-KGLIPLIRSA-N 2 1 331.464 1.101 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424146420 252143868 /nfs/dbraw/zinc/14/38/68/252143868.db2.gz PTLFVBGQIOHQHK-HZPDHXFCSA-N 2 1 346.479 1.007 20 0 EDADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000424173199 252153294 /nfs/dbraw/zinc/15/32/94/252153294.db2.gz NVHTYRBCZMTCFY-CPUCHLNUSA-N 2 1 332.448 1.100 20 0 EDADMP COC(=O)c1ccccc1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424282817 252190044 /nfs/dbraw/zinc/19/00/44/252190044.db2.gz ARZFGCGFAXANNR-AWEZNQCLSA-N 2 1 345.443 1.876 20 0 EDADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000424374094 252202957 /nfs/dbraw/zinc/20/29/57/252202957.db2.gz ITVZGDKPLOPQEU-PWSUYJOCSA-N 2 1 333.404 1.229 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000362845390 285033723 /nfs/dbraw/zinc/03/37/23/285033723.db2.gz ZRZYIOYMMILBRL-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000362845390 285033725 /nfs/dbraw/zinc/03/37/25/285033725.db2.gz ZRZYIOYMMILBRL-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000362845390 285033726 /nfs/dbraw/zinc/03/37/26/285033726.db2.gz ZRZYIOYMMILBRL-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000112401218 220319061 /nfs/dbraw/zinc/31/90/61/220319061.db2.gz RQSGVGDRDMIISC-UHFFFAOYSA-N 2 1 346.519 1.896 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000112401218 220319066 /nfs/dbraw/zinc/31/90/66/220319066.db2.gz RQSGVGDRDMIISC-UHFFFAOYSA-N 2 1 346.519 1.896 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000112401218 220319069 /nfs/dbraw/zinc/31/90/69/220319069.db2.gz RQSGVGDRDMIISC-UHFFFAOYSA-N 2 1 346.519 1.896 20 0 EDADMP COCCCNC(=O)C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000487547476 255032705 /nfs/dbraw/zinc/03/27/05/255032705.db2.gz GVPRBQUNTZOSSW-UHFFFAOYSA-N 2 1 339.402 1.488 20 0 EDADMP COCCCNC(=O)C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000487547476 255032706 /nfs/dbraw/zinc/03/27/06/255032706.db2.gz GVPRBQUNTZOSSW-UHFFFAOYSA-N 2 1 339.402 1.488 20 0 EDADMP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)C[C@@H](C)C1 ZINC000488917030 255059125 /nfs/dbraw/zinc/05/91/25/255059125.db2.gz MABPHRUXYHUXER-JYJNAYRXSA-N 2 1 340.537 1.407 20 0 EDADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)C[C@@H](C)C1 ZINC000488917030 255059126 /nfs/dbraw/zinc/05/91/26/255059126.db2.gz MABPHRUXYHUXER-JYJNAYRXSA-N 2 1 340.537 1.407 20 0 EDADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@H](C)[C@H](C)[NH3+])CC2 ZINC000493899021 255225404 /nfs/dbraw/zinc/22/54/04/255225404.db2.gz ARTHYKSNWNTWLK-OLZOCXBDSA-N 2 1 335.448 1.161 20 0 EDADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@H](C)[C@H](C)[NH3+])CC2 ZINC000493899021 255225405 /nfs/dbraw/zinc/22/54/05/255225405.db2.gz ARTHYKSNWNTWLK-OLZOCXBDSA-N 2 1 335.448 1.161 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496164387 255359824 /nfs/dbraw/zinc/35/98/24/255359824.db2.gz BKVQWRMUWWSSMC-HOTGVXAUSA-N 2 1 343.512 1.924 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)OC1CCOCC1 ZINC000495800039 255327054 /nfs/dbraw/zinc/32/70/54/255327054.db2.gz SADLRYCYLKDCKY-OAHLLOKOSA-N 2 1 327.469 1.650 20 0 EDADMP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC[N@H+](C)CC)c1 ZINC000118109307 221120563 /nfs/dbraw/zinc/12/05/63/221120563.db2.gz LHAGKAJBDDVHGV-UHFFFAOYSA-N 2 1 334.464 1.535 20 0 EDADMP C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[NH+]1CCSCC1 ZINC000133228038 533296155 /nfs/dbraw/zinc/29/61/55/533296155.db2.gz VTPXTNAHGUZNDO-RDJZCZTQSA-N 2 1 335.517 1.713 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1ccccc1 ZINC000416244436 304300186 /nfs/dbraw/zinc/30/01/86/304300186.db2.gz VVKNUVPMBCEMEJ-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP C[N@@H+](C[C@H]1CNC(=O)O1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000269951595 140023573 /nfs/dbraw/zinc/02/35/73/140023573.db2.gz GOQMFQVNZPDMEW-MSOLQXFVSA-N 2 1 347.459 1.472 20 0 EDADMP C[NH+](C)C/C=C/C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270942709 140204223 /nfs/dbraw/zinc/20/42/23/140204223.db2.gz WPTQZDAIVKRCBU-OKMWKSJFSA-N 2 1 331.460 1.103 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000333310806 141297058 /nfs/dbraw/zinc/29/70/58/141297058.db2.gz LPUDIXYVYFKLHK-MRRJBJDNSA-N 2 1 331.464 1.748 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000333374265 141307787 /nfs/dbraw/zinc/30/77/87/141307787.db2.gz VLCNFOIVYCMTHI-CQSZACIVSA-N 2 1 332.448 1.974 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000333595755 141342325 /nfs/dbraw/zinc/34/23/25/141342325.db2.gz OZHUFNVKVKBQPJ-MLGOLLRUSA-N 2 1 346.479 1.502 20 0 EDADMP c1cc(-c2noc(C[N@@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)n2)cs1 ZINC000333857191 141395410 /nfs/dbraw/zinc/39/54/10/141395410.db2.gz OXTXLFRWPOMNBL-KGLIPLIRSA-N 2 1 346.456 1.999 20 0 EDADMP c1cc(-c2noc(C[N@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)n2)cs1 ZINC000333857191 141395413 /nfs/dbraw/zinc/39/54/13/141395413.db2.gz OXTXLFRWPOMNBL-KGLIPLIRSA-N 2 1 346.456 1.999 20 0 EDADMP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1ccc(Cl)cc1 ZINC000333869944 141398249 /nfs/dbraw/zinc/39/82/49/141398249.db2.gz RSPORCJTPGVGKH-CVEARBPZSA-N 2 1 349.862 1.979 20 0 EDADMP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1ccc(Cl)cc1 ZINC000333869944 141398250 /nfs/dbraw/zinc/39/82/50/141398250.db2.gz RSPORCJTPGVGKH-CVEARBPZSA-N 2 1 349.862 1.979 20 0 EDADMP Cc1nc(CC[NH+](C)C/C=C/C[N@@H+](C)CCc2noc(C)n2)no1 ZINC000340198871 142300476 /nfs/dbraw/zinc/30/04/76/142300476.db2.gz SYAAJSIZHSNPMC-AATRIKPKSA-N 2 1 334.424 1.274 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@H]1CN(C)CCO1)c1ccccc1 ZINC000345469764 143094748 /nfs/dbraw/zinc/09/47/48/143094748.db2.gz PHGUBZNWAGYVML-QZTJIDSGSA-N 2 1 349.475 1.143 20 0 EDADMP COCC[N@H+](C)CC[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)c1ccccc1 ZINC000345469764 143094749 /nfs/dbraw/zinc/09/47/49/143094749.db2.gz PHGUBZNWAGYVML-QZTJIDSGSA-N 2 1 349.475 1.143 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)c1ccccc1 ZINC000345469764 143094750 /nfs/dbraw/zinc/09/47/50/143094750.db2.gz PHGUBZNWAGYVML-QZTJIDSGSA-N 2 1 349.475 1.143 20 0 EDADMP COCC[NH+](C)CC[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000345469764 143094751 /nfs/dbraw/zinc/09/47/51/143094751.db2.gz PHGUBZNWAGYVML-QZTJIDSGSA-N 2 1 349.475 1.143 20 0 EDADMP CC(C)(CNC(=O)[C@H]([NH3+])CC(F)F)[N@H+]1CCc2ccccc2C1 ZINC000345686284 143121365 /nfs/dbraw/zinc/12/13/65/143121365.db2.gz AHZRBIXPUGABAJ-CQSZACIVSA-N 2 1 325.403 1.922 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCOCC[NH+](C)C ZINC000346163215 143173882 /nfs/dbraw/zinc/17/38/82/143173882.db2.gz LHWQVTTXLKIUNX-SJLPKXTDSA-N 2 1 333.476 1.449 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCCO1 ZINC000346473241 143208605 /nfs/dbraw/zinc/20/86/05/143208605.db2.gz AQQQRFDGQKEUJI-CRAIPNDOSA-N 2 1 331.460 1.731 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2CCC)CC[N@@H+]1CCOC ZINC000346581255 143218676 /nfs/dbraw/zinc/21/86/76/143218676.db2.gz ZHGXUUYLUYWXDS-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2CCC)CC[N@H+]1CCOC ZINC000346581255 143218677 /nfs/dbraw/zinc/21/86/77/143218677.db2.gz ZHGXUUYLUYWXDS-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC[NH+]1CCOC ZINC000346581255 143218678 /nfs/dbraw/zinc/21/86/78/143218678.db2.gz ZHGXUUYLUYWXDS-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC[NH+]1CCOC ZINC000346581255 143218679 /nfs/dbraw/zinc/21/86/79/143218679.db2.gz ZHGXUUYLUYWXDS-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP COC(=O)c1coc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000346662207 143228337 /nfs/dbraw/zinc/22/83/37/143228337.db2.gz BMZZSUBIZXDNAT-XJKSGUPXSA-N 2 1 349.431 1.146 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000346733448 143239368 /nfs/dbraw/zinc/23/93/68/143239368.db2.gz QBKQCQQVVUFPHM-OAHLLOKOSA-N 2 1 340.512 1.023 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)C1)N1CC[NH2+]CC1 ZINC000347100015 143282727 /nfs/dbraw/zinc/28/27/27/143282727.db2.gz KBOHIXWBPJUIOJ-MRXNPFEDSA-N 2 1 345.443 1.102 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)oc1C ZINC000347222921 143296905 /nfs/dbraw/zinc/29/69/05/143296905.db2.gz UNAQDBMQNNBZAI-AWEZNQCLSA-N 2 1 349.431 1.018 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC000347690110 143350019 /nfs/dbraw/zinc/35/00/19/143350019.db2.gz SATPVGZONZYCCM-MRXNPFEDSA-N 2 1 345.491 1.247 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@@H](O)c2cccnc2)(N2CCCCC2)CC1 ZINC000369775223 155171011 /nfs/dbraw/zinc/17/10/11/155171011.db2.gz PAGMPTKAEJLBND-KRWDZBQOSA-N 2 1 346.475 1.182 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH+](C)C)[C@H](C)C1 ZINC000353434370 286060887 /nfs/dbraw/zinc/06/08/87/286060887.db2.gz DGWKGQLZQMQSLJ-OAGGEKHMSA-N 2 1 328.501 1.373 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000416859150 304352547 /nfs/dbraw/zinc/35/25/47/304352547.db2.gz ZNYNZXQEJJSERL-DZKIICNBSA-N 2 1 334.464 1.738 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000353099532 149285733 /nfs/dbraw/zinc/28/57/33/149285733.db2.gz WEGFHSLCKHBJLP-HOTGVXAUSA-N 2 1 338.496 1.148 20 0 EDADMP Cn1nnc2cc(C[NH+]3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)ccc21 ZINC000353405594 149393948 /nfs/dbraw/zinc/39/39/48/149393948.db2.gz OUVLIUHDFBFIFS-QGZVFWFLSA-N 2 1 342.491 1.570 20 0 EDADMP Cn1nnc2cc(C[NH+]3CCN(C[C@H]4CCCC[N@H+]4C)CC3)ccc21 ZINC000353405594 149393950 /nfs/dbraw/zinc/39/39/50/149393950.db2.gz OUVLIUHDFBFIFS-QGZVFWFLSA-N 2 1 342.491 1.570 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(CC[NH3+])CCO)cc1 ZINC000416971724 304357742 /nfs/dbraw/zinc/35/77/42/304357742.db2.gz HILXOPLAKJJWFC-INIZCTEOSA-N 2 1 348.491 1.524 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)[C@H]2CCCc3[nH+]ccn32)ccc1=O ZINC000355266334 150192369 /nfs/dbraw/zinc/19/23/69/150192369.db2.gz MUIWTHCYARJKBL-CQSZACIVSA-N 2 1 329.404 1.123 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C)CC[C@H]2C)C[C@H](C)O1 ZINC000355483094 150286769 /nfs/dbraw/zinc/28/67/69/150286769.db2.gz RILHIUAEJYPSTL-OAGGEKHMSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+](C)CC[C@H]2C)C[C@H](C)O1 ZINC000355483094 150286772 /nfs/dbraw/zinc/28/67/72/150286772.db2.gz RILHIUAEJYPSTL-OAGGEKHMSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](C)CC[C@H]2C)C[C@H](C)O1 ZINC000355483094 150286774 /nfs/dbraw/zinc/28/67/74/150286774.db2.gz RILHIUAEJYPSTL-OAGGEKHMSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417046049 304366327 /nfs/dbraw/zinc/36/63/27/304366327.db2.gz ZDTQVXCWHVQHSH-YJBOKZPZSA-N 2 1 330.476 1.732 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000417064202 304368192 /nfs/dbraw/zinc/36/81/92/304368192.db2.gz ABYKRWHITJELEE-XWTMOSNGSA-N 2 1 328.460 1.750 20 0 EDADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000357340212 151001891 /nfs/dbraw/zinc/00/18/91/151001891.db2.gz ABQZANBWJRTFOF-SJORKVTESA-N 2 1 333.480 1.522 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000357404871 151021262 /nfs/dbraw/zinc/02/12/62/151021262.db2.gz KYJYRPXKJLUOJV-IAGOWNOFSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000357404871 151021264 /nfs/dbraw/zinc/02/12/64/151021264.db2.gz KYJYRPXKJLUOJV-IAGOWNOFSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000357462571 151038961 /nfs/dbraw/zinc/03/89/61/151038961.db2.gz HXKSVBSFBGYYKY-HZPDHXFCSA-N 2 1 333.476 1.977 20 0 EDADMP CSC1(CNC(=O)NCCCn2cc[nH+]c2C)CC[NH+](C)CC1 ZINC000357613978 151085385 /nfs/dbraw/zinc/08/53/85/151085385.db2.gz YXEBSRNCZUGFSO-UHFFFAOYSA-N 2 1 339.509 1.708 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000357915129 151194637 /nfs/dbraw/zinc/19/46/37/151194637.db2.gz IPRFVIWCZOVCPT-IRXDYDNUSA-N 2 1 341.544 1.432 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000357961572 151212207 /nfs/dbraw/zinc/21/22/07/151212207.db2.gz VADYDJFQRJWYLF-UHFFFAOYSA-N 2 1 349.479 1.080 20 0 EDADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCC(=O)N(C)C ZINC000358002553 151231272 /nfs/dbraw/zinc/23/12/72/151231272.db2.gz GNNJHAYDLNQTBN-ZBFHGGJFSA-N 2 1 349.475 1.592 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000358167456 151293555 /nfs/dbraw/zinc/29/35/55/151293555.db2.gz MNXYWUAMCBZBJS-SOLBZPMBSA-N 2 1 331.460 1.596 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000358167456 151293557 /nfs/dbraw/zinc/29/35/57/151293557.db2.gz MNXYWUAMCBZBJS-SOLBZPMBSA-N 2 1 331.460 1.596 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000358490843 151392963 /nfs/dbraw/zinc/39/29/63/151392963.db2.gz DMVFVHYLJGWTGU-APWZRJJASA-N 2 1 348.491 1.215 20 0 EDADMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc2c(c1)OCO2 ZINC000358493546 151393816 /nfs/dbraw/zinc/39/38/16/151393816.db2.gz DLGVIVCBGMUETG-UHFFFAOYSA-N 2 1 331.416 1.819 20 0 EDADMP COC(=O)CCC[NH+]1CCC(N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000360953862 152262306 /nfs/dbraw/zinc/26/23/06/152262306.db2.gz JNQRKPVWJQJKRF-IRXDYDNUSA-N 2 1 325.497 1.866 20 0 EDADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000360957891 152262978 /nfs/dbraw/zinc/26/29/78/152262978.db2.gz RIAKRPPVZYYRFB-WBVHZDCISA-N 2 1 325.497 1.772 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000361271369 152349766 /nfs/dbraw/zinc/34/97/66/152349766.db2.gz LFTYELOTTFJCAJ-JKSUJKDBSA-N 2 1 335.452 1.086 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000361271369 152349767 /nfs/dbraw/zinc/34/97/67/152349767.db2.gz LFTYELOTTFJCAJ-JKSUJKDBSA-N 2 1 335.452 1.086 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000363609784 153012682 /nfs/dbraw/zinc/01/26/82/153012682.db2.gz AHGAIPQGGWRQJM-MRXNPFEDSA-N 2 1 342.528 1.717 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1nnc(C2CC2)n1C ZINC000363707387 153035641 /nfs/dbraw/zinc/03/56/41/153035641.db2.gz QIVCYQIRILQUKE-FVQBIDKESA-N 2 1 333.480 1.672 20 0 EDADMP CC1CC[NH+](CCNC(=O)N(C)C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364159248 153159342 /nfs/dbraw/zinc/15/93/42/153159342.db2.gz FZUSZUCPDSUPCZ-MRXNPFEDSA-N 2 1 333.480 1.819 20 0 EDADMP C[C@@H](CCC[NH3+])NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417188297 304382591 /nfs/dbraw/zinc/38/25/91/304382591.db2.gz UWIWOTKGFFWPRV-HNNXBMFYSA-N 2 1 334.464 1.445 20 0 EDADMP C[C@@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1)N1CC[NH+](C)CC1 ZINC000364232251 153181406 /nfs/dbraw/zinc/18/14/06/153181406.db2.gz XDTGMIVRAFSPKF-INIZCTEOSA-N 2 1 345.491 1.145 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCNC1=O ZINC000364338334 153209649 /nfs/dbraw/zinc/20/96/49/153209649.db2.gz AOYBXGNERUZCRV-GOEBONIOSA-N 2 1 330.432 1.038 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCNC1=O ZINC000364338334 153209652 /nfs/dbraw/zinc/20/96/52/153209652.db2.gz AOYBXGNERUZCRV-GOEBONIOSA-N 2 1 330.432 1.038 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCOc2ccccc2F)CC1 ZINC000364721834 153314163 /nfs/dbraw/zinc/31/41/63/153314163.db2.gz IOLMRALFPOIOJS-UHFFFAOYSA-N 2 1 338.423 1.364 20 0 EDADMP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000364725979 153314833 /nfs/dbraw/zinc/31/48/33/153314833.db2.gz HICIBVOXKQKULJ-HOTGVXAUSA-N 2 1 334.464 1.665 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000417224047 304385519 /nfs/dbraw/zinc/38/55/19/304385519.db2.gz UHUQEKKVCWXKNE-OAHLLOKOSA-N 2 1 336.505 1.890 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000417224047 304385520 /nfs/dbraw/zinc/38/55/20/304385520.db2.gz UHUQEKKVCWXKNE-OAHLLOKOSA-N 2 1 336.505 1.890 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H]1C ZINC000367533747 154163842 /nfs/dbraw/zinc/16/38/42/154163842.db2.gz NZZVOZFAIQQFDY-HYLCPLCXSA-N 2 1 337.508 1.709 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H]1C ZINC000367533747 154163844 /nfs/dbraw/zinc/16/38/44/154163844.db2.gz NZZVOZFAIQQFDY-HYLCPLCXSA-N 2 1 337.508 1.709 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH2+]C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000417343816 304393068 /nfs/dbraw/zinc/39/30/68/304393068.db2.gz QXTZOJSLAVAXAA-OAHLLOKOSA-N 2 1 330.476 1.875 20 0 EDADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000369610224 155109949 /nfs/dbraw/zinc/10/99/49/155109949.db2.gz YYAJDSUSDLOVIG-HOTGVXAUSA-N 2 1 333.480 1.200 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(C)C ZINC000417455143 304397252 /nfs/dbraw/zinc/39/72/52/304397252.db2.gz DQWYVZVRVQPRAX-CVEARBPZSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H](NC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C1=CC[N@@H+](C)CC1 ZINC000371581910 156015396 /nfs/dbraw/zinc/01/53/96/156015396.db2.gz SMWZJPONEZFKGP-SJLPKXTDSA-N 2 1 349.523 1.058 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1)C1CC1 ZINC000372381957 156362221 /nfs/dbraw/zinc/36/22/21/156362221.db2.gz AJMJIMTZZLMALC-ZWKOTPCHSA-N 2 1 346.475 1.015 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C1CC1 ZINC000372381957 156362222 /nfs/dbraw/zinc/36/22/22/156362222.db2.gz AJMJIMTZZLMALC-ZWKOTPCHSA-N 2 1 346.475 1.015 20 0 EDADMP CCc1nc(CN2C[C@@H]3C[NH+](CC[C@@H]4CCC[N@H+]4C)C[C@H]3C2)no1 ZINC000372426457 156384387 /nfs/dbraw/zinc/38/43/87/156384387.db2.gz VXDILTBXZTUCNH-JYJNAYRXSA-N 2 1 333.480 1.480 20 0 EDADMP CCCCNC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000373982313 157093958 /nfs/dbraw/zinc/09/39/58/157093958.db2.gz WHUUUPULHINYJH-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000374044610 157120386 /nfs/dbraw/zinc/12/03/86/157120386.db2.gz TUKCLDGVOZDMPV-QZTJIDSGSA-N 2 1 349.519 1.964 20 0 EDADMP Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374231081 157205688 /nfs/dbraw/zinc/20/56/88/157205688.db2.gz OQWLWXFQAKDSOG-GOEBONIOSA-N 2 1 345.491 1.125 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCNC(=O)C(F)(F)F ZINC000378439062 158173621 /nfs/dbraw/zinc/17/36/21/158173621.db2.gz ZPKVKFKCLBLLOP-JHJVBQTASA-N 2 1 337.386 1.239 20 0 EDADMP CCc1nc(CN2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)no1 ZINC000378476461 158185922 /nfs/dbraw/zinc/18/59/22/158185922.db2.gz WFKRLFOPZZVZKE-PMPSAXMXSA-N 2 1 333.480 1.813 20 0 EDADMP CC(C)[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)N1CCOCC1 ZINC000352257009 162079045 /nfs/dbraw/zinc/07/90/45/162079045.db2.gz ODYLTHLAXFQRSQ-OAHLLOKOSA-N 2 1 326.510 1.651 20 0 EDADMP COCc1ccccc1/C=C(\C)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000352436179 162180448 /nfs/dbraw/zinc/18/04/48/162180448.db2.gz ZZECFNZNIAUFMB-SAPNQHFASA-N 2 1 345.487 1.990 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](CCO)CC1CC1 ZINC000352481957 162205072 /nfs/dbraw/zinc/20/50/72/162205072.db2.gz FSBVCPKUKUMFBH-APWZRJJASA-N 2 1 345.487 1.470 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](CCO)CC1CC1 ZINC000352481957 162205077 /nfs/dbraw/zinc/20/50/77/162205077.db2.gz FSBVCPKUKUMFBH-APWZRJJASA-N 2 1 345.487 1.470 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](CCO)CC1CC1 ZINC000352481957 162205079 /nfs/dbraw/zinc/20/50/79/162205079.db2.gz FSBVCPKUKUMFBH-APWZRJJASA-N 2 1 345.487 1.470 20 0 EDADMP Cn1c2ccc(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)cc2oc1=O ZINC000352551008 162247056 /nfs/dbraw/zinc/24/70/56/162247056.db2.gz SJZLYXDGQYUSKG-OAHLLOKOSA-N 2 1 333.432 1.458 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@@H](C(C)(C)C)C1 ZINC000665762848 452339755 /nfs/dbraw/zinc/33/97/55/452339755.db2.gz ROHZVBIBIIDUHD-JKSUJKDBSA-N 2 1 342.528 1.715 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@@H](C(C)(C)C)C1 ZINC000665762848 452339747 /nfs/dbraw/zinc/33/97/47/452339747.db2.gz ROHZVBIBIIDUHD-JKSUJKDBSA-N 2 1 342.528 1.715 20 0 EDADMP COc1ccc(C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000275196167 268296078 /nfs/dbraw/zinc/29/60/78/268296078.db2.gz FAYSERRIVMNNPE-UHFFFAOYSA-N 2 1 331.460 1.824 20 0 EDADMP COc1ccc(C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000275196167 268296080 /nfs/dbraw/zinc/29/60/80/268296080.db2.gz FAYSERRIVMNNPE-UHFFFAOYSA-N 2 1 331.460 1.824 20 0 EDADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cnn(-c2ccccc2)c1 ZINC000275237703 273108439 /nfs/dbraw/zinc/10/84/39/273108439.db2.gz MQQLXTHAHZOPAG-UHFFFAOYSA-N 2 1 341.459 1.468 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cnn(-c2ccccc2)c1 ZINC000275237703 273108440 /nfs/dbraw/zinc/10/84/40/273108440.db2.gz MQQLXTHAHZOPAG-UHFFFAOYSA-N 2 1 341.459 1.468 20 0 EDADMP O=C(NCc1cn2c(n1)CCCC2)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000275619823 273114207 /nfs/dbraw/zinc/11/42/07/273114207.db2.gz MPXQFVQZIFCCEW-ZDUSSCGKSA-N 2 1 328.420 1.478 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000276069117 273146580 /nfs/dbraw/zinc/14/65/80/273146580.db2.gz VWVXCWRCEROKLM-OAHLLOKOSA-N 2 1 346.475 1.139 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000279110042 273280295 /nfs/dbraw/zinc/28/02/95/273280295.db2.gz BVEYAXOLHZTWOV-HOCLYGCPSA-N 2 1 345.491 1.909 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000279110042 273280296 /nfs/dbraw/zinc/28/02/96/273280296.db2.gz BVEYAXOLHZTWOV-HOCLYGCPSA-N 2 1 345.491 1.909 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000279124771 273281775 /nfs/dbraw/zinc/28/17/75/273281775.db2.gz DIHFFBMMBHDJOB-HOTGVXAUSA-N 2 1 345.491 1.180 20 0 EDADMP Cn1cc[nH+]c1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000284058390 274064313 /nfs/dbraw/zinc/06/43/13/274064313.db2.gz QGNPEZLDBFPOLA-GOSISDBHSA-N 2 1 325.460 1.817 20 0 EDADMP Cn1cc[nH+]c1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000284058390 274064315 /nfs/dbraw/zinc/06/43/15/274064315.db2.gz QGNPEZLDBFPOLA-GOSISDBHSA-N 2 1 325.460 1.817 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000284600672 274259515 /nfs/dbraw/zinc/25/95/15/274259515.db2.gz AAOBGHTZLCWAQN-IEBWSBKVSA-N 2 1 345.487 1.545 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000284600672 274259518 /nfs/dbraw/zinc/25/95/18/274259518.db2.gz AAOBGHTZLCWAQN-IEBWSBKVSA-N 2 1 345.487 1.545 20 0 EDADMP O=C1[C@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Cl)c1 ZINC000420348182 275030150 /nfs/dbraw/zinc/03/01/50/275030150.db2.gz KAHHAQQXSRQSHK-DLBZAZTESA-N 2 1 348.878 1.425 20 0 EDADMP O=C1[C@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Cl)c1 ZINC000420348182 275030152 /nfs/dbraw/zinc/03/01/52/275030152.db2.gz KAHHAQQXSRQSHK-DLBZAZTESA-N 2 1 348.878 1.425 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000262147971 276034887 /nfs/dbraw/zinc/03/48/87/276034887.db2.gz QQUMUZPCWXMGAZ-UYAOXDASSA-N 2 1 346.519 1.999 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000262147971 276034888 /nfs/dbraw/zinc/03/48/88/276034888.db2.gz QQUMUZPCWXMGAZ-UYAOXDASSA-N 2 1 346.519 1.999 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000262147971 276034890 /nfs/dbraw/zinc/03/48/90/276034890.db2.gz QQUMUZPCWXMGAZ-UYAOXDASSA-N 2 1 346.519 1.999 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C(=O)N(C)C)c3)C2)CC1 ZINC000107368139 276198221 /nfs/dbraw/zinc/19/82/21/276198221.db2.gz FRTPZXWNSPYLQM-LJQANCHMSA-N 2 1 344.503 1.600 20 0 EDADMP CC[N@@H+](C)CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261851953 276305627 /nfs/dbraw/zinc/30/56/27/276305627.db2.gz VXLXXUFAOVMPGE-CQSZACIVSA-N 2 1 328.254 1.691 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@H]2CCCO2)C[C@H]1C ZINC000363662277 276362241 /nfs/dbraw/zinc/36/22/41/276362241.db2.gz MWEZJSKUPGGXPI-BRSBDYLESA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363662277 276362242 /nfs/dbraw/zinc/36/22/42/276362242.db2.gz MWEZJSKUPGGXPI-BRSBDYLESA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363662277 276362244 /nfs/dbraw/zinc/36/22/44/276362244.db2.gz MWEZJSKUPGGXPI-BRSBDYLESA-N 2 1 337.508 1.866 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[NH2+]Cc2ccccn2)cc[nH+]1 ZINC000354935137 276903849 /nfs/dbraw/zinc/90/38/49/276903849.db2.gz ORALRRIYCRVZSK-DZGCQCFKSA-N 2 1 330.411 1.644 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000305116331 277186434 /nfs/dbraw/zinc/18/64/34/277186434.db2.gz AOVXXPZNELUHAM-ARFHVFGLSA-N 2 1 339.480 1.839 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000305116331 277186435 /nfs/dbraw/zinc/18/64/35/277186435.db2.gz AOVXXPZNELUHAM-ARFHVFGLSA-N 2 1 339.480 1.839 20 0 EDADMP CO[C@]1(C)C[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000134381557 277360545 /nfs/dbraw/zinc/36/05/45/277360545.db2.gz CADMDPAQIDFLDS-MAUKXSAKSA-N 2 1 333.480 1.522 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415421744 278181741 /nfs/dbraw/zinc/18/17/41/278181741.db2.gz VIRWBNWGSOBJKD-CYBMUJFWSA-N 2 1 332.448 1.067 20 0 EDADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000362471888 279034673 /nfs/dbraw/zinc/03/46/73/279034673.db2.gz TZHCNIPUNQWYCP-YESZJQIVSA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000362471888 279034675 /nfs/dbraw/zinc/03/46/75/279034675.db2.gz TZHCNIPUNQWYCP-YESZJQIVSA-N 2 1 338.496 1.223 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)C1 ZINC000362471888 279034676 /nfs/dbraw/zinc/03/46/76/279034676.db2.gz TZHCNIPUNQWYCP-YESZJQIVSA-N 2 1 338.496 1.223 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)C1 ZINC000362471888 279034677 /nfs/dbraw/zinc/03/46/77/279034677.db2.gz TZHCNIPUNQWYCP-YESZJQIVSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CCC[N@H+]1C ZINC000445925588 279119924 /nfs/dbraw/zinc/11/99/24/279119924.db2.gz OLWVUIRPGQPUNW-GDBMZVCRSA-N 2 1 346.475 1.328 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000457823494 279128217 /nfs/dbraw/zinc/12/82/17/279128217.db2.gz XRPWQTOGMGEFLZ-HZPDHXFCSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000262144295 279204679 /nfs/dbraw/zinc/20/46/79/279204679.db2.gz YDSZBBZTFZMEOO-AEFFLSMTSA-N 2 1 330.476 1.013 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000418193650 279375249 /nfs/dbraw/zinc/37/52/49/279375249.db2.gz CLXGYRBUTIBBTA-USXIJHARSA-N 2 1 340.512 1.643 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654727633 452844544 /nfs/dbraw/zinc/84/45/44/452844544.db2.gz QXLOAQSRLOBEGB-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1(C(=O)OC)CCC1 ZINC000353555154 280186857 /nfs/dbraw/zinc/18/68/57/280186857.db2.gz ZBVSDBPVRGMXFZ-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)C[C@H]1C[C@@H](OC)C[NH+]1C ZINC000347241641 280248934 /nfs/dbraw/zinc/24/89/34/280248934.db2.gz DPRAMHXWDJQPAU-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)C[C@H]1C[C@@H](OC)C[N@@H+]1C ZINC000347241641 280248936 /nfs/dbraw/zinc/24/89/36/280248936.db2.gz DPRAMHXWDJQPAU-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)C[C@H]1C[C@@H](OC)C[N@H+]1C ZINC000347241641 280248940 /nfs/dbraw/zinc/24/89/40/280248940.db2.gz DPRAMHXWDJQPAU-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP CC1(C)CCC[NH2+][C@H]1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333272974 280998820 /nfs/dbraw/zinc/99/88/20/280998820.db2.gz KVKZCKUELUDGHF-INIZCTEOSA-N 2 1 337.508 1.916 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343919839 288293572 /nfs/dbraw/zinc/29/35/72/288293572.db2.gz IDFLXYCQGFHSEQ-CRAIPNDOSA-N 2 1 334.508 1.288 20 0 EDADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000090661728 288301872 /nfs/dbraw/zinc/30/18/72/288301872.db2.gz JBSXBQIRQVUSTG-QBPKDAKJSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000090661728 288301874 /nfs/dbraw/zinc/30/18/74/288301874.db2.gz JBSXBQIRQVUSTG-QBPKDAKJSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090661728 288301876 /nfs/dbraw/zinc/30/18/76/288301876.db2.gz JBSXBQIRQVUSTG-QBPKDAKJSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090661728 288301877 /nfs/dbraw/zinc/30/18/77/288301877.db2.gz JBSXBQIRQVUSTG-QBPKDAKJSA-N 2 1 336.480 1.118 20 0 EDADMP C[NH+](C)C1(CNC(=O)NCc2c[nH+]c3n2CCCC3)CCOCC1 ZINC000375173200 282036831 /nfs/dbraw/zinc/03/68/31/282036831.db2.gz IEEMGINRGHKIKE-UHFFFAOYSA-N 2 1 335.452 1.129 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000357880407 289045896 /nfs/dbraw/zinc/04/58/96/289045896.db2.gz JQXSSUBVFKXFQF-KLZNWCGWSA-N 2 1 336.480 1.116 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000357880407 289045898 /nfs/dbraw/zinc/04/58/98/289045898.db2.gz JQXSSUBVFKXFQF-KLZNWCGWSA-N 2 1 336.480 1.116 20 0 EDADMP CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000357138060 289128822 /nfs/dbraw/zinc/12/88/22/289128822.db2.gz NPTMIJFFPXGYHM-ZBFHGGJFSA-N 2 1 336.484 1.006 20 0 EDADMP C[NH+](C)CCOc1cccc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422897158 289171778 /nfs/dbraw/zinc/17/17/78/289171778.db2.gz JFNBAENDGCEGHG-HSALFYBXSA-N 2 1 347.503 1.874 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000377200928 289219913 /nfs/dbraw/zinc/21/99/13/289219913.db2.gz CFTUWAHCINWLIT-SJLPKXTDSA-N 2 1 340.512 1.395 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000424030564 289271049 /nfs/dbraw/zinc/27/10/49/289271049.db2.gz ZBCUUDGFHXEFCZ-LSDHHAIUSA-N 2 1 325.840 1.519 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292262841 289300918 /nfs/dbraw/zinc/30/09/18/289300918.db2.gz YUEWUZRLAYOXBV-MJGOQNOKSA-N 2 1 347.459 1.412 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292262841 289300919 /nfs/dbraw/zinc/30/09/19/289300919.db2.gz YUEWUZRLAYOXBV-MJGOQNOKSA-N 2 1 347.459 1.412 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292262841 289300923 /nfs/dbraw/zinc/30/09/23/289300923.db2.gz YUEWUZRLAYOXBV-MJGOQNOKSA-N 2 1 347.459 1.412 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CCSC1 ZINC000353327371 289399569 /nfs/dbraw/zinc/39/95/69/289399569.db2.gz NQHAIDMJRFSARF-FMKPAKJESA-N 2 1 326.510 1.159 20 0 EDADMP COC[C@]1(CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417015496 293290219 /nfs/dbraw/zinc/29/02/19/293290219.db2.gz MOXNZSSVVNXAIK-BFYDXBDKSA-N 2 1 326.485 1.175 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000333939172 295319330 /nfs/dbraw/zinc/31/93/30/295319330.db2.gz NAAPWMHGWWOMDC-TWMKSMIVSA-N 2 1 336.480 1.151 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000347957287 297268920 /nfs/dbraw/zinc/26/89/20/297268920.db2.gz CUYPLKHUETVRQE-QLFBSQMISA-N 2 1 340.512 1.068 20 0 EDADMP C[NH2+][C@@H](C(=O)NCCN1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000662399685 453110531 /nfs/dbraw/zinc/11/05/31/453110531.db2.gz ADARCFYEGFWVJS-CQSZACIVSA-N 2 1 345.274 1.275 20 0 EDADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000646112064 453119590 /nfs/dbraw/zinc/11/95/90/453119590.db2.gz FSEANTSYSPHIGU-CQSZACIVSA-N 2 1 332.370 1.972 20 0 EDADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000646112064 453119600 /nfs/dbraw/zinc/11/96/00/453119600.db2.gz FSEANTSYSPHIGU-CQSZACIVSA-N 2 1 332.370 1.972 20 0 EDADMP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000420392058 304754822 /nfs/dbraw/zinc/75/48/22/304754822.db2.gz IWNKCWUZDXYJTH-SJORKVTESA-N 2 1 330.476 1.013 20 0 EDADMP Cn1cncc1[C@H]1[C@@H]([NH2+]C2CC[NH+](C)CC2)CCC(=O)N1C1CC1 ZINC000344825132 303031406 /nfs/dbraw/zinc/03/14/06/303031406.db2.gz JUTLDYOXRFMBKJ-MAUKXSAKSA-N 2 1 331.464 1.298 20 0 EDADMP COc1nccc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000295156094 303181655 /nfs/dbraw/zinc/18/16/55/303181655.db2.gz KCETWKCHLVWNEK-UHFFFAOYSA-N 2 1 342.447 1.182 20 0 EDADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+](C2CC2)C1 ZINC000295464535 303223660 /nfs/dbraw/zinc/22/36/60/303223660.db2.gz XUAAAHBIVQWEKM-AWEZNQCLSA-N 2 1 325.416 1.824 20 0 EDADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@H+](C2CC2)C1 ZINC000295464535 303223662 /nfs/dbraw/zinc/22/36/62/303223662.db2.gz XUAAAHBIVQWEKM-AWEZNQCLSA-N 2 1 325.416 1.824 20 0 EDADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295502682 303227737 /nfs/dbraw/zinc/22/77/37/303227737.db2.gz BTBBLKIFZZZQAO-YOEHRIQHSA-N 2 1 325.416 1.966 20 0 EDADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000295909173 303282235 /nfs/dbraw/zinc/28/22/35/303282235.db2.gz IVDPEZBYYQEGGW-CABCVRRESA-N 2 1 334.464 1.856 20 0 EDADMP CC(C)N(C)C(=O)[C@@H](C)N1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000295909173 303282238 /nfs/dbraw/zinc/28/22/38/303282238.db2.gz IVDPEZBYYQEGGW-CABCVRRESA-N 2 1 334.464 1.856 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000296617494 303327249 /nfs/dbraw/zinc/32/72/49/303327249.db2.gz ZPSRWEKGXDZURM-HNNXBMFYSA-N 2 1 346.475 1.330 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2ccnc(N3CCCC3)c2)C[C@H](C)[N@@H+]1C ZINC000296645335 303329228 /nfs/dbraw/zinc/32/92/28/303329228.db2.gz SHEGXMRXCABNFK-GASCZTMLSA-N 2 1 331.464 1.916 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2ccnc(N3CCCC3)c2)C[C@H](C)N1C ZINC000296645335 303329229 /nfs/dbraw/zinc/32/92/29/303329229.db2.gz SHEGXMRXCABNFK-GASCZTMLSA-N 2 1 331.464 1.916 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000414860451 447331737 /nfs/dbraw/zinc/33/17/37/447331737.db2.gz VLRQPBRCVGPEPN-GASCZTMLSA-N 2 1 346.475 1.724 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000377765919 447344581 /nfs/dbraw/zinc/34/45/81/447344581.db2.gz BQBHYENTKVLZJW-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414882000 447342606 /nfs/dbraw/zinc/34/26/06/447342606.db2.gz LUDHOBHYPLDNSX-CZUORRHYSA-N 2 1 332.448 1.443 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414882000 447342614 /nfs/dbraw/zinc/34/26/14/447342614.db2.gz LUDHOBHYPLDNSX-CZUORRHYSA-N 2 1 332.448 1.443 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000423835151 304911487 /nfs/dbraw/zinc/91/14/87/304911487.db2.gz FLAZCQKDCGZQKB-IAGOWNOFSA-N 2 1 344.459 1.417 20 0 EDADMP O=C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000428040693 305005053 /nfs/dbraw/zinc/00/50/53/305005053.db2.gz LPHHWPYCCDMKHN-MOPGFXCFSA-N 2 1 342.487 1.015 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)cc2F)CC1 ZINC000429169076 305025005 /nfs/dbraw/zinc/02/50/05/305025005.db2.gz GQNNQYVNMDFDPA-YOEHRIQHSA-N 2 1 348.466 1.777 20 0 EDADMP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430585509 305057200 /nfs/dbraw/zinc/05/72/00/305057200.db2.gz QLVXFTPECGCLGY-CQSZACIVSA-N 2 1 349.475 1.422 20 0 EDADMP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430585509 305057201 /nfs/dbraw/zinc/05/72/01/305057201.db2.gz QLVXFTPECGCLGY-CQSZACIVSA-N 2 1 349.475 1.422 20 0 EDADMP COc1ccccc1OCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430611043 305058725 /nfs/dbraw/zinc/05/87/25/305058725.db2.gz NHNBYRFYOTWVRI-INIZCTEOSA-N 2 1 347.459 1.218 20 0 EDADMP O=C([C@H]1CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1)N1CC[NH2+]CC1 ZINC000430615949 305059209 /nfs/dbraw/zinc/05/92/09/305059209.db2.gz DTVVBSZIIDNKTH-MAUKXSAKSA-N 2 1 331.435 1.957 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000430638216 305060573 /nfs/dbraw/zinc/06/05/73/305060573.db2.gz DYUPYXHJZHMLNM-GFCCVEGCSA-N 2 1 334.445 1.690 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000430638216 305060574 /nfs/dbraw/zinc/06/05/74/305060574.db2.gz DYUPYXHJZHMLNM-GFCCVEGCSA-N 2 1 334.445 1.690 20 0 EDADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430643490 305061019 /nfs/dbraw/zinc/06/10/19/305061019.db2.gz RLARLECKUFSIHU-LSDHHAIUSA-N 2 1 332.448 1.109 20 0 EDADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430650300 305061219 /nfs/dbraw/zinc/06/12/19/305061219.db2.gz URLRONWOZNYXJG-JKSUJKDBSA-N 2 1 346.475 1.417 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000430913390 305067570 /nfs/dbraw/zinc/06/75/70/305067570.db2.gz USITYESXUARKNP-SQNIBIBYSA-N 2 1 333.476 1.940 20 0 EDADMP C[NH2+]C1CCN(CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000430922893 305068249 /nfs/dbraw/zinc/06/82/49/305068249.db2.gz AXTGBFPOBCKQFY-UHFFFAOYSA-N 2 1 344.503 1.323 20 0 EDADMP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000430958740 305070861 /nfs/dbraw/zinc/07/08/61/305070861.db2.gz ZHKJFSQVJAZQFB-ZDUSSCGKSA-N 2 1 335.448 1.962 20 0 EDADMP Cc1cc(C)n2c(C[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)cnc2n1 ZINC000432353796 305092047 /nfs/dbraw/zinc/09/20/47/305092047.db2.gz PKQRNMXNXMVBPW-MRXNPFEDSA-N 2 1 331.464 1.937 20 0 EDADMP Cc1cc(C)n2c(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)cnc2n1 ZINC000432353796 305092048 /nfs/dbraw/zinc/09/20/48/305092048.db2.gz PKQRNMXNXMVBPW-MRXNPFEDSA-N 2 1 331.464 1.937 20 0 EDADMP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000433129827 305101198 /nfs/dbraw/zinc/10/11/98/305101198.db2.gz PETUXNGSYGMZGG-UHFFFAOYSA-N 3 1 336.524 1.667 20 0 EDADMP [NH3+]C1CCN(CCCC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000433129827 305101199 /nfs/dbraw/zinc/10/11/99/305101199.db2.gz PETUXNGSYGMZGG-UHFFFAOYSA-N 2 1 336.524 1.667 20 0 EDADMP [NH3+]C1CCN(CCCC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000433129827 305101200 /nfs/dbraw/zinc/10/12/00/305101200.db2.gz PETUXNGSYGMZGG-UHFFFAOYSA-N 2 1 336.524 1.667 20 0 EDADMP C[N@@H+](CCCNC(=O)CCC[NH+]1CCC([NH3+])CC1)C1CCCCC1 ZINC000433159472 305102166 /nfs/dbraw/zinc/10/21/66/305102166.db2.gz LXXSMCBHETVSJB-UHFFFAOYSA-N 3 1 338.540 1.961 20 0 EDADMP C[N@H+](CCCNC(=O)CCCN1CCC([NH3+])CC1)C1CCCCC1 ZINC000433159472 305102167 /nfs/dbraw/zinc/10/21/67/305102167.db2.gz LXXSMCBHETVSJB-UHFFFAOYSA-N 2 1 338.540 1.961 20 0 EDADMP C[N@@H+](CCCNC(=O)CCCN1CCC([NH3+])CC1)C1CCCCC1 ZINC000433159472 305102168 /nfs/dbraw/zinc/10/21/68/305102168.db2.gz LXXSMCBHETVSJB-UHFFFAOYSA-N 2 1 338.540 1.961 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCCCC2)CCCO1 ZINC000433285757 305104876 /nfs/dbraw/zinc/10/48/76/305104876.db2.gz SVDOSRABBYTQHB-QGZVFWFLSA-N 2 1 340.512 1.663 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433358014 305106453 /nfs/dbraw/zinc/10/64/53/305106453.db2.gz XJAMPQGMHSJDHB-FUHWJXTLSA-N 2 1 332.492 1.432 20 0 EDADMP CC[N@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435624482 305143954 /nfs/dbraw/zinc/14/39/54/305143954.db2.gz FPIDSGNXLIGWNJ-INIZCTEOSA-N 2 1 339.505 1.901 20 0 EDADMP CC[N@@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435624482 305143955 /nfs/dbraw/zinc/14/39/55/305143955.db2.gz FPIDSGNXLIGWNJ-INIZCTEOSA-N 2 1 339.505 1.901 20 0 EDADMP CC[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435629913 305144070 /nfs/dbraw/zinc/14/40/70/305144070.db2.gz VNUCDEZHXRSUSU-AWEZNQCLSA-N 2 1 341.477 1.177 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC[N@H+]1C ZINC000438888594 305190489 /nfs/dbraw/zinc/19/04/89/305190489.db2.gz DGONPEJXQIPNNH-QRTARXTBSA-N 2 1 328.460 1.979 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)CN(C)CC[C@@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000441330602 305221013 /nfs/dbraw/zinc/22/10/13/305221013.db2.gz LXYZLCASLHAIDP-XWTMOSNGSA-N 2 1 327.513 1.263 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN(C)CC[C@@H]2CCCC[N@@H+]2C)C[C@H](C)O1 ZINC000441330602 305221014 /nfs/dbraw/zinc/22/10/14/305221014.db2.gz LXYZLCASLHAIDP-XWTMOSNGSA-N 2 1 327.513 1.263 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN(C)CC[C@@H]2CCCC[N@H+]2C)C[C@H](C)O1 ZINC000441330602 305221015 /nfs/dbraw/zinc/22/10/15/305221015.db2.gz LXYZLCASLHAIDP-XWTMOSNGSA-N 2 1 327.513 1.263 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1(C)C ZINC000444265453 305245033 /nfs/dbraw/zinc/24/50/33/305245033.db2.gz FONQNUXQRHLIET-FCEWJHQRSA-N 2 1 337.508 1.709 20 0 EDADMP C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000448366120 305296261 /nfs/dbraw/zinc/29/62/61/305296261.db2.gz ZYKLVCCHXJYYDA-RDJZCZTQSA-N 2 1 333.480 1.354 20 0 EDADMP C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000448366120 305296262 /nfs/dbraw/zinc/29/62/62/305296262.db2.gz ZYKLVCCHXJYYDA-RDJZCZTQSA-N 2 1 333.480 1.354 20 0 EDADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC000449248458 305309511 /nfs/dbraw/zinc/30/95/11/305309511.db2.gz HOBYBTJNBQPZSK-QGZVFWFLSA-N 2 1 345.487 1.530 20 0 EDADMP CNS(=O)(=O)CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449272923 305310557 /nfs/dbraw/zinc/31/05/57/305310557.db2.gz XHCMCTDSGMCMEW-OAHLLOKOSA-N 2 1 339.505 1.221 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1)C1CC1 ZINC000449712381 305317805 /nfs/dbraw/zinc/31/78/05/305317805.db2.gz RKTOQKFYALBKMH-SFHVURJKSA-N 2 1 331.460 1.779 20 0 EDADMP CC(C)n1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1 ZINC000527039160 305838683 /nfs/dbraw/zinc/83/86/83/305838683.db2.gz RPOBZFVUDJNJFK-UHFFFAOYSA-N 2 1 328.420 1.863 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000528882388 305892237 /nfs/dbraw/zinc/89/22/37/305892237.db2.gz VGUJJCMAQGOXOY-HNNXBMFYSA-N 2 1 327.432 1.928 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000458433285 447363875 /nfs/dbraw/zinc/36/38/75/447363875.db2.gz IXMABPKUXJOMBW-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000458433285 447363879 /nfs/dbraw/zinc/36/38/79/447363879.db2.gz IXMABPKUXJOMBW-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cccnc1 ZINC000530804149 305946457 /nfs/dbraw/zinc/94/64/57/305946457.db2.gz XHWQODJUJPPSHM-CQSZACIVSA-N 2 1 325.416 1.971 20 0 EDADMP C[NH+]1CCN(c2cccc(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)n2)CC1 ZINC000534312165 306006003 /nfs/dbraw/zinc/00/60/03/306006003.db2.gz JJCWSVFEVCSMMQ-OAHLLOKOSA-N 2 1 343.475 1.048 20 0 EDADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC000542133100 306051484 /nfs/dbraw/zinc/05/14/84/306051484.db2.gz OMYUKVCXRGCCSS-DZGCQCFKSA-N 2 1 325.478 1.859 20 0 EDADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC000542133100 306051485 /nfs/dbraw/zinc/05/14/85/306051485.db2.gz OMYUKVCXRGCCSS-DZGCQCFKSA-N 2 1 325.478 1.859 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000545309253 306084055 /nfs/dbraw/zinc/08/40/55/306084055.db2.gz YXVBZKMFDIPNQV-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1)N1CCOCC1 ZINC000556952042 306221808 /nfs/dbraw/zinc/22/18/08/306221808.db2.gz RGMOZEHQGCTRGB-MSOLQXFVSA-N 2 1 331.460 1.188 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000557134276 306224761 /nfs/dbraw/zinc/22/47/61/306224761.db2.gz QZYGDRCEQDSILQ-WMZOPIPTSA-N 2 1 338.496 1.128 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cs1 ZINC000377811221 447368211 /nfs/dbraw/zinc/36/82/11/447368211.db2.gz KJMIRPQSKYGCHK-HZPDHXFCSA-N 2 1 348.516 1.731 20 0 EDADMP COC[C@]1(C[NH2+][C@H](C)Cn2cc(Br)cn2)CCC[NH2+]1 ZINC000414948615 447369726 /nfs/dbraw/zinc/36/97/26/447369726.db2.gz XWMDGVAKJSXERU-DGCLKSJQSA-N 2 1 331.258 1.392 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000426026972 447381693 /nfs/dbraw/zinc/38/16/93/447381693.db2.gz DYIFIPKBMGKXNH-UKRRQHHQSA-N 2 1 331.526 1.509 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000426026972 447381698 /nfs/dbraw/zinc/38/16/98/447381698.db2.gz DYIFIPKBMGKXNH-UKRRQHHQSA-N 2 1 331.526 1.509 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000456392952 447385686 /nfs/dbraw/zinc/38/56/86/447385686.db2.gz XNYZFOWHRBTFDQ-INIZCTEOSA-N 2 1 334.464 1.578 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCOCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000377885365 447385738 /nfs/dbraw/zinc/38/57/38/447385738.db2.gz SHFMOFATMABBJL-JKSUJKDBSA-N 2 1 341.496 1.944 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCOCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000377885365 447385741 /nfs/dbraw/zinc/38/57/41/447385741.db2.gz SHFMOFATMABBJL-JKSUJKDBSA-N 2 1 341.496 1.944 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000377885365 447385746 /nfs/dbraw/zinc/38/57/46/447385746.db2.gz SHFMOFATMABBJL-JKSUJKDBSA-N 2 1 341.496 1.944 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC4(CCC4)[C@@H]3C3CC3)cn2)CC1 ZINC000378143809 447403705 /nfs/dbraw/zinc/40/37/05/447403705.db2.gz FBUFMPGHBZBLLY-KRWDZBQOSA-N 2 1 327.476 1.993 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC4(CCC4)[C@@H]3C3CC3)cn2)CC1 ZINC000378143809 447403710 /nfs/dbraw/zinc/40/37/10/447403710.db2.gz FBUFMPGHBZBLLY-KRWDZBQOSA-N 2 1 327.476 1.993 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000456532937 447407266 /nfs/dbraw/zinc/40/72/66/447407266.db2.gz QJHDGYHGTQJZHE-INIZCTEOSA-N 2 1 345.491 1.390 20 0 EDADMP CCC(C)(C)[C@H](C)[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000661233746 453768445 /nfs/dbraw/zinc/76/84/45/453768445.db2.gz IFMIRXUYZCEWOB-JKSUJKDBSA-N 2 1 327.513 1.874 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC3([NH+](C)C)CC3)c2C1 ZINC000419793798 447414992 /nfs/dbraw/zinc/41/49/92/447414992.db2.gz CZNLRMAIJRQZHQ-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419799992 447421766 /nfs/dbraw/zinc/42/17/66/447421766.db2.gz GNCIZULIRQAGMC-OAHLLOKOSA-N 2 1 338.496 1.097 20 0 EDADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000103212264 441177912 /nfs/dbraw/zinc/17/79/12/441177912.db2.gz AURYWUDIOVPTOL-UHFFFAOYSA-N 2 1 347.438 1.781 20 0 EDADMP C[NH+]1CCC(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000047885806 441233161 /nfs/dbraw/zinc/23/31/61/441233161.db2.gz WIGMOWVZSQRAJR-UHFFFAOYSA-N 2 1 345.491 1.202 20 0 EDADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726509 441201893 /nfs/dbraw/zinc/20/18/93/441201893.db2.gz ULNNIVUEYHXZCS-OAHLLOKOSA-N 2 1 346.475 1.804 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000104823589 441213272 /nfs/dbraw/zinc/21/32/72/441213272.db2.gz NJSZWKZACHDGNH-GOSISDBHSA-N 2 1 347.503 1.888 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)[NH+]1CCOCC1 ZINC000047684280 441219595 /nfs/dbraw/zinc/21/95/95/441219595.db2.gz WZEJCVQDQNYHRB-KRWDZBQOSA-N 2 1 342.528 1.761 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000081023301 441222383 /nfs/dbraw/zinc/22/23/83/441222383.db2.gz LXQOXHOKJVHRPI-QZTJIDSGSA-N 2 1 337.508 1.678 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000081023301 441222385 /nfs/dbraw/zinc/22/23/85/441222385.db2.gz LXQOXHOKJVHRPI-QZTJIDSGSA-N 2 1 337.508 1.678 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000105442672 441256490 /nfs/dbraw/zinc/25/64/90/441256490.db2.gz TVYQYWSZJWZLFN-ZDUSSCGKSA-N 2 1 335.477 1.911 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000081485485 441276625 /nfs/dbraw/zinc/27/66/25/441276625.db2.gz DFTXVAQSRSRYOJ-OALUTQOASA-N 2 1 345.487 1.688 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000081485485 441276631 /nfs/dbraw/zinc/27/66/31/441276631.db2.gz DFTXVAQSRSRYOJ-OALUTQOASA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000081485485 441276637 /nfs/dbraw/zinc/27/66/37/441276637.db2.gz DFTXVAQSRSRYOJ-OALUTQOASA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000081485485 441276641 /nfs/dbraw/zinc/27/66/41/441276641.db2.gz DFTXVAQSRSRYOJ-OALUTQOASA-N 2 1 345.487 1.688 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876060 441303652 /nfs/dbraw/zinc/30/36/52/441303652.db2.gz KCBPHQRPPSNDQC-ZDUSSCGKSA-N 2 1 349.479 1.687 20 0 EDADMP CC1CC[NH+](CCCNC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083696120 441367178 /nfs/dbraw/zinc/36/71/78/441367178.db2.gz ZRDMWBJPWGNJRI-UHFFFAOYSA-N 2 1 336.484 1.407 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C2)cc(OC)c1 ZINC000088251574 441501413 /nfs/dbraw/zinc/50/14/13/441501413.db2.gz SQJMFEDCKZORNT-MRXNPFEDSA-N 2 1 349.475 1.735 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C2)cc(OC)c1 ZINC000088251574 441501415 /nfs/dbraw/zinc/50/14/15/441501415.db2.gz SQJMFEDCKZORNT-MRXNPFEDSA-N 2 1 349.475 1.735 20 0 EDADMP COc1cc(C[NH+]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)cc(OC)c1 ZINC000088251574 441501416 /nfs/dbraw/zinc/50/14/16/441501416.db2.gz SQJMFEDCKZORNT-MRXNPFEDSA-N 2 1 349.475 1.735 20 0 EDADMP COc1cc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc(OC)c1 ZINC000088251574 441501418 /nfs/dbraw/zinc/50/14/18/441501418.db2.gz SQJMFEDCKZORNT-MRXNPFEDSA-N 2 1 349.475 1.735 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066919371 441587814 /nfs/dbraw/zinc/58/78/14/441587814.db2.gz ZVLDDPOEIAZKCF-BDXSIMOUSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066919371 441587819 /nfs/dbraw/zinc/58/78/19/441587819.db2.gz ZVLDDPOEIAZKCF-BDXSIMOUSA-N 2 1 339.524 1.968 20 0 EDADMP COC(=O)CNC(=O)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480588 441663862 /nfs/dbraw/zinc/66/38/62/441663862.db2.gz NHNYXJBIVMQBMC-UHFFFAOYSA-N 2 1 347.459 1.262 20 0 EDADMP COC(=O)CNC(=O)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480588 441663863 /nfs/dbraw/zinc/66/38/63/441663863.db2.gz NHNYXJBIVMQBMC-UHFFFAOYSA-N 2 1 347.459 1.262 20 0 EDADMP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000076965863 441700142 /nfs/dbraw/zinc/70/01/42/441700142.db2.gz LHNIBHCJBKYGJL-OAHLLOKOSA-N 2 1 339.480 1.252 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000136615980 441707888 /nfs/dbraw/zinc/70/78/88/441707888.db2.gz LKWPRWSTKXDHSV-HZPDHXFCSA-N 2 1 348.491 1.872 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000173388015 441731006 /nfs/dbraw/zinc/73/10/06/441731006.db2.gz VDHWNZRJQFDIPO-MRXNPFEDSA-N 2 1 339.528 1.042 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC[C@@H]21 ZINC000158683325 441754719 /nfs/dbraw/zinc/75/47/19/441754719.db2.gz GGFYLQHTTOFBOP-XHSDSOJGSA-N 2 1 329.510 1.074 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC[C@@H]21 ZINC000158683325 441754727 /nfs/dbraw/zinc/75/47/27/441754727.db2.gz GGFYLQHTTOFBOP-XHSDSOJGSA-N 2 1 329.510 1.074 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC[C@@H]21 ZINC000158683325 441754738 /nfs/dbraw/zinc/75/47/38/441754738.db2.gz GGFYLQHTTOFBOP-XHSDSOJGSA-N 2 1 329.510 1.074 20 0 EDADMP CCNC(=O)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158877415 441770322 /nfs/dbraw/zinc/77/03/22/441770322.db2.gz FHXNPRMQVOGFAQ-HNNXBMFYSA-N 2 1 338.496 1.809 20 0 EDADMP CCNC(=O)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158877415 441770324 /nfs/dbraw/zinc/77/03/24/441770324.db2.gz FHXNPRMQVOGFAQ-HNNXBMFYSA-N 2 1 338.496 1.809 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CCCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000068423566 441795501 /nfs/dbraw/zinc/79/55/01/441795501.db2.gz XURUUWICTQHGRK-IBGZPJMESA-N 2 1 346.519 1.775 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000174241176 441906581 /nfs/dbraw/zinc/90/65/81/441906581.db2.gz ILMMBWSTCKVZGT-OAHLLOKOSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000174241176 441906583 /nfs/dbraw/zinc/90/65/83/441906583.db2.gz ILMMBWSTCKVZGT-OAHLLOKOSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@@H](COC)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125052926 441977491 /nfs/dbraw/zinc/97/74/91/441977491.db2.gz SHEZECIBEUGHKH-KRWDZBQOSA-N 2 1 349.475 1.862 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000174500785 441931158 /nfs/dbraw/zinc/93/11/58/441931158.db2.gz ANEIHVSWTWXCHR-IYBDPMFKSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000078500705 441938248 /nfs/dbraw/zinc/93/82/48/441938248.db2.gz WMZNYJPEIAPZIN-INIZCTEOSA-N 2 1 340.512 1.517 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000174715081 441957372 /nfs/dbraw/zinc/95/73/72/441957372.db2.gz CLQGFVFTQBQBPL-SFHVURJKSA-N 2 1 346.475 1.581 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000078947186 441997610 /nfs/dbraw/zinc/99/76/10/441997610.db2.gz GDUKDLKJGJRSAE-KRWDZBQOSA-N 2 1 338.496 1.369 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000078947190 441997953 /nfs/dbraw/zinc/99/79/53/441997953.db2.gz GDUKDLKJGJRSAE-QGZVFWFLSA-N 2 1 338.496 1.369 20 0 EDADMP CC[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000125104146 441984715 /nfs/dbraw/zinc/98/47/15/441984715.db2.gz WFFRATTWEIJWFF-QGZVFWFLSA-N 2 1 337.508 1.870 20 0 EDADMP CC[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000125104146 441984720 /nfs/dbraw/zinc/98/47/20/441984720.db2.gz WFFRATTWEIJWFF-QGZVFWFLSA-N 2 1 337.508 1.870 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000151443291 442063036 /nfs/dbraw/zinc/06/30/36/442063036.db2.gz IILUZUCABKIRQE-AWEZNQCLSA-N 2 1 333.432 1.874 20 0 EDADMP Cc1nn(C)c2ncc(C[N@H+](C)CCN(C)C3CC[NH+](C)CC3)cc12 ZINC000162195149 442072537 /nfs/dbraw/zinc/07/25/37/442072537.db2.gz BPVDVMNVYVFQNI-UHFFFAOYSA-N 2 1 344.507 1.735 20 0 EDADMP C[N@H+](CCc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000126458451 442113402 /nfs/dbraw/zinc/11/34/02/442113402.db2.gz MQXFVAHSKIVJAP-UHFFFAOYSA-N 2 1 325.460 1.903 20 0 EDADMP C[N@@H+](CCc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000126458451 442113411 /nfs/dbraw/zinc/11/34/11/442113411.db2.gz MQXFVAHSKIVJAP-UHFFFAOYSA-N 2 1 325.460 1.903 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176050276 442167229 /nfs/dbraw/zinc/16/72/29/442167229.db2.gz LVXKUTQHPFJVIW-ZDUSSCGKSA-N 2 1 349.479 1.699 20 0 EDADMP CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCN(C)CC2)C12CCCCC2 ZINC000121138406 442181692 /nfs/dbraw/zinc/18/16/92/442181692.db2.gz DPGLYICQZAVNPP-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)NCC[N@@H+](C)C(C)C)CC2)[nH+]c1 ZINC000176462356 442225058 /nfs/dbraw/zinc/22/50/58/442225058.db2.gz LKBZVXKDFNINRB-UHFFFAOYSA-N 2 1 333.480 1.998 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)NCC[N@H+](C)C(C)C)CC2)[nH+]c1 ZINC000176462356 442225061 /nfs/dbraw/zinc/22/50/61/442225061.db2.gz LKBZVXKDFNINRB-UHFFFAOYSA-N 2 1 333.480 1.998 20 0 EDADMP COC(=O)[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000171060894 442304850 /nfs/dbraw/zinc/30/48/50/442304850.db2.gz JBYUFFSBZMMVJS-ZOSBBBERSA-N 2 1 338.448 1.313 20 0 EDADMP COC(=O)[C@@H]1CCC[N@@H+](C/C=C/C[NH+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000171060894 442304854 /nfs/dbraw/zinc/30/48/54/442304854.db2.gz JBYUFFSBZMMVJS-ZOSBBBERSA-N 2 1 338.448 1.313 20 0 EDADMP COC(=O)[C@@H]1CCC[N@H+](C/C=C/C[NH+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000171060894 442304857 /nfs/dbraw/zinc/30/48/57/442304857.db2.gz JBYUFFSBZMMVJS-ZOSBBBERSA-N 2 1 338.448 1.313 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000170885372 442282763 /nfs/dbraw/zinc/28/27/63/442282763.db2.gz RMQKGOZWXSBLSW-KRWDZBQOSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000177770276 442381955 /nfs/dbraw/zinc/38/19/55/442381955.db2.gz RMHVOSBTIXPWPT-BFYDXBDKSA-N 2 1 339.505 1.424 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000177770276 442381956 /nfs/dbraw/zinc/38/19/56/442381956.db2.gz RMHVOSBTIXPWPT-BFYDXBDKSA-N 2 1 339.505 1.424 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)cn1 ZINC000133456889 442419171 /nfs/dbraw/zinc/41/91/71/442419171.db2.gz XQGDWLYAHPGPNI-CQSZACIVSA-N 2 1 331.445 1.287 20 0 EDADMP CC[NH+](CC)CC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000133827591 442435779 /nfs/dbraw/zinc/43/57/79/442435779.db2.gz JNOIXZRUQRIKNC-UHFFFAOYSA-N 2 1 332.492 1.609 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN2CCOC(C)(C)C2)[C@H](C)C1 ZINC000178707826 442459458 /nfs/dbraw/zinc/45/94/58/442459458.db2.gz CWLWUKFSAAIGHL-HZPDHXFCSA-N 2 1 340.512 1.469 20 0 EDADMP CO[C@@H](C)c1noc(CN2CCC[N@@H+](CC3CC[NH2+]CC3)CC2)n1 ZINC000178982514 442545111 /nfs/dbraw/zinc/54/51/11/442545111.db2.gz FPMRFCDEJZCEAT-AWEZNQCLSA-N 2 1 337.468 1.284 20 0 EDADMP CCCN(C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C1 ZINC000178900844 442519636 /nfs/dbraw/zinc/51/96/36/442519636.db2.gz IHWURFQJRKIGPS-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CCCN(C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C1 ZINC000178900844 442519643 /nfs/dbraw/zinc/51/96/43/442519643.db2.gz IHWURFQJRKIGPS-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000172721867 442525892 /nfs/dbraw/zinc/52/58/92/442525892.db2.gz SEHGLZCQYXDTBE-INIZCTEOSA-N 2 1 337.489 1.407 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000172721867 442525898 /nfs/dbraw/zinc/52/58/98/442525898.db2.gz SEHGLZCQYXDTBE-INIZCTEOSA-N 2 1 337.489 1.407 20 0 EDADMP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000186781860 442609583 /nfs/dbraw/zinc/60/95/83/442609583.db2.gz BVUVYRHUDQRVFS-LJQANCHMSA-N 2 1 345.487 1.737 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000186781860 442609585 /nfs/dbraw/zinc/60/95/85/442609585.db2.gz BVUVYRHUDQRVFS-LJQANCHMSA-N 2 1 345.487 1.737 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(N4CCOCC4)s3)CC[C@@H]21 ZINC000180731895 442653081 /nfs/dbraw/zinc/65/30/81/442653081.db2.gz DIJLXROVRDRFMK-HOCLYGCPSA-N 2 1 336.505 1.896 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(N4CCOCC4)s3)CC[C@@H]21 ZINC000180731895 442653083 /nfs/dbraw/zinc/65/30/83/442653083.db2.gz DIJLXROVRDRFMK-HOCLYGCPSA-N 2 1 336.505 1.896 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(N4CCOCC4)s3)CC[C@@H]21 ZINC000180731895 442653085 /nfs/dbraw/zinc/65/30/85/442653085.db2.gz DIJLXROVRDRFMK-HOCLYGCPSA-N 2 1 336.505 1.896 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(N4CCOCC4)s3)CC[C@@H]21 ZINC000180731895 442653089 /nfs/dbraw/zinc/65/30/89/442653089.db2.gz DIJLXROVRDRFMK-HOCLYGCPSA-N 2 1 336.505 1.896 20 0 EDADMP CC1CC[NH+](CCCNC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000186844865 442620478 /nfs/dbraw/zinc/62/04/78/442620478.db2.gz RIMLYYIFAJSPHM-UHFFFAOYSA-N 2 1 326.485 1.130 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NCC[N@H+]1CCCOCC1)C1CCCCC1 ZINC000186914664 442629194 /nfs/dbraw/zinc/62/91/94/442629194.db2.gz JMYAJCMBXXUQRC-QGZVFWFLSA-N 2 1 340.512 1.518 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+][C@H](COC)C2CCOCC2)CC1 ZINC000187766246 442691513 /nfs/dbraw/zinc/69/15/13/442691513.db2.gz KAMZOACSVZKVAN-GOSISDBHSA-N 2 1 327.513 1.435 20 0 EDADMP CC(C)[NH+]1CCN(CCCN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000192838761 442691787 /nfs/dbraw/zinc/69/17/87/442691787.db2.gz TUYRILBSHJRTDS-SFHVURJKSA-N 2 1 340.556 1.180 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000187934976 442698686 /nfs/dbraw/zinc/69/86/86/442698686.db2.gz XBGYXRYBBHQHCG-OKZBNKHCSA-N 2 1 331.460 1.044 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(OC)CCC1 ZINC000181818697 442718079 /nfs/dbraw/zinc/71/80/79/442718079.db2.gz IYOMLMYHBSTPNE-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[N@H+](CCCN1CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188267318 442731390 /nfs/dbraw/zinc/73/13/90/442731390.db2.gz BXWPUVBGEMIEJR-HXUWFJFHSA-N 2 1 347.503 1.278 20 0 EDADMP C[N@@H+](CCCN1CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188267318 442731392 /nfs/dbraw/zinc/73/13/92/442731392.db2.gz BXWPUVBGEMIEJR-HXUWFJFHSA-N 2 1 347.503 1.278 20 0 EDADMP C[NH+](CCCN1CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188267318 442731394 /nfs/dbraw/zinc/73/13/94/442731394.db2.gz BXWPUVBGEMIEJR-HXUWFJFHSA-N 2 1 347.503 1.278 20 0 EDADMP C[NH+](CCCN1CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188267318 442731397 /nfs/dbraw/zinc/73/13/97/442731397.db2.gz BXWPUVBGEMIEJR-HXUWFJFHSA-N 2 1 347.503 1.278 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NC3(C)CC[NH2+]CC3)CC2)cs1 ZINC000193350719 442735108 /nfs/dbraw/zinc/73/51/08/442735108.db2.gz IDJOJMLGWOXOHI-UHFFFAOYSA-N 2 1 336.505 1.922 20 0 EDADMP CC1(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]CC1 ZINC000193363156 442736297 /nfs/dbraw/zinc/73/62/97/442736297.db2.gz FOTXUHBKKDCWFO-KRWDZBQOSA-N 2 1 331.460 1.536 20 0 EDADMP CC1(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]CC1 ZINC000193363156 442736299 /nfs/dbraw/zinc/73/62/99/442736299.db2.gz FOTXUHBKKDCWFO-KRWDZBQOSA-N 2 1 331.460 1.536 20 0 EDADMP CCO[C@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1(CC)CC ZINC000181686667 442709492 /nfs/dbraw/zinc/70/94/92/442709492.db2.gz XLBSOAJGFOTEEA-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)C1 ZINC000188751922 442803323 /nfs/dbraw/zinc/80/33/23/442803323.db2.gz DFRLLOMQOXPHBT-IJEWVQPXSA-N 2 1 348.422 1.022 20 0 EDADMP C[C@@H](O)C[C@H]1CCC[NH+]1CC1(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)COC1 ZINC000182360493 442760129 /nfs/dbraw/zinc/76/01/29/442760129.db2.gz UGAHRGXXXFJYSQ-BRSBDYLESA-N 2 1 340.508 1.474 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCCCC3)cc2C1 ZINC000193913304 442811514 /nfs/dbraw/zinc/81/15/14/442811514.db2.gz XBWGIFHHKFSDKQ-UHFFFAOYSA-N 2 1 344.459 1.563 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCCCC3)cc2C1 ZINC000193913304 442811517 /nfs/dbraw/zinc/81/15/17/442811517.db2.gz XBWGIFHHKFSDKQ-UHFFFAOYSA-N 2 1 344.459 1.563 20 0 EDADMP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)C[NH+]1CCCC1 ZINC000193934447 442815139 /nfs/dbraw/zinc/81/51/39/442815139.db2.gz AAXGHMCIDNAABE-AWEZNQCLSA-N 2 1 344.459 1.419 20 0 EDADMP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)C[NH+]1CCCC1 ZINC000193934447 442815142 /nfs/dbraw/zinc/81/51/42/442815142.db2.gz AAXGHMCIDNAABE-AWEZNQCLSA-N 2 1 344.459 1.419 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000268148204 442870567 /nfs/dbraw/zinc/87/05/67/442870567.db2.gz UDWOFVGFYQJGGZ-QAPCUYQASA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000268148204 442870573 /nfs/dbraw/zinc/87/05/73/442870573.db2.gz UDWOFVGFYQJGGZ-QAPCUYQASA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000268148204 442870578 /nfs/dbraw/zinc/87/05/78/442870578.db2.gz UDWOFVGFYQJGGZ-QAPCUYQASA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)CCO1 ZINC000194590049 442918664 /nfs/dbraw/zinc/91/86/64/442918664.db2.gz MGYWIUJEBNVABH-HNNXBMFYSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000194647382 442931436 /nfs/dbraw/zinc/93/14/36/442931436.db2.gz CRXMMWHGJFQUQK-QGZVFWFLSA-N 2 1 344.503 1.535 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248911762 442937963 /nfs/dbraw/zinc/93/79/63/442937963.db2.gz CFHDVPSDCKGCIQ-SJORKVTESA-N 2 1 334.464 1.045 20 0 EDADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)[NH3+] ZINC000248979587 442941857 /nfs/dbraw/zinc/94/18/57/442941857.db2.gz FIPANSFANHATKQ-QXSJWSMHSA-N 2 1 333.476 1.895 20 0 EDADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)[NH3+] ZINC000248979587 442941860 /nfs/dbraw/zinc/94/18/60/442941860.db2.gz FIPANSFANHATKQ-QXSJWSMHSA-N 2 1 333.476 1.895 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](C)COC)CC2)CC1 ZINC000187195161 318553663 /nfs/dbraw/zinc/55/36/63/318553663.db2.gz QLLHHBCIYNFPOO-MRXNPFEDSA-N 2 1 325.497 1.535 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000249143350 442956724 /nfs/dbraw/zinc/95/67/24/442956724.db2.gz WSVIRVKAASOREE-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000249143350 442956727 /nfs/dbraw/zinc/95/67/27/442956727.db2.gz WSVIRVKAASOREE-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000249143350 442956728 /nfs/dbraw/zinc/95/67/28/442956728.db2.gz WSVIRVKAASOREE-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000249176411 442958728 /nfs/dbraw/zinc/95/87/28/442958728.db2.gz ZIVARMYZHIHUFZ-PMPSAXMXSA-N 2 1 340.512 1.346 20 0 EDADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCOCC1 ZINC000249204677 442960732 /nfs/dbraw/zinc/96/07/32/442960732.db2.gz VMOKVEKILCFDHD-UXHICEINSA-N 2 1 348.487 1.784 20 0 EDADMP CCn1nccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000249649796 442998653 /nfs/dbraw/zinc/99/86/53/442998653.db2.gz UQPVQBVTFIWFBE-PMPSAXMXSA-N 2 1 331.464 1.615 20 0 EDADMP CCn1nccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000249649796 442998659 /nfs/dbraw/zinc/99/86/59/442998659.db2.gz UQPVQBVTFIWFBE-PMPSAXMXSA-N 2 1 331.464 1.615 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)c1cc(N2CCCC[C@H]2CO)ncn1 ZINC000249260567 442962905 /nfs/dbraw/zinc/96/29/05/442962905.db2.gz IRLVPNUGKGEFBR-INIZCTEOSA-N 2 1 344.463 1.859 20 0 EDADMP CC[NH+](CC)CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265904658 442964340 /nfs/dbraw/zinc/96/43/40/442964340.db2.gz PEFIAABNJMDCAN-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP CC[NH+](CC)CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265904658 442964343 /nfs/dbraw/zinc/96/43/43/442964343.db2.gz PEFIAABNJMDCAN-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000266477615 443139306 /nfs/dbraw/zinc/13/93/06/443139306.db2.gz CYXHSBCJUJZBOP-RBUKOAKNSA-N 2 1 345.487 1.642 20 0 EDADMP CC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000268802428 443112863 /nfs/dbraw/zinc/11/28/63/443112863.db2.gz GNBMFFCVTIHYJP-UHFFFAOYSA-N 2 1 325.478 1.347 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000236777278 443147665 /nfs/dbraw/zinc/14/76/65/443147665.db2.gz ZVCFVVFFKHZTOC-ZWKOTPCHSA-N 2 1 333.476 1.940 20 0 EDADMP COc1cccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000190695223 443166154 /nfs/dbraw/zinc/16/61/54/443166154.db2.gz YIPQKLVPYGYKOV-UHFFFAOYSA-N 2 1 340.471 1.998 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)C[NH2+]C2CC2)CC1)Cc1ccccc1 ZINC000237136775 443160066 /nfs/dbraw/zinc/16/00/66/443160066.db2.gz QEQSBYHULPBDTD-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000262979545 443219519 /nfs/dbraw/zinc/21/95/19/443219519.db2.gz YMOZZBYKMAPJSR-NJAFHUGGSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000262979545 443219522 /nfs/dbraw/zinc/21/95/22/443219522.db2.gz YMOZZBYKMAPJSR-NJAFHUGGSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000245505831 443232887 /nfs/dbraw/zinc/23/28/87/443232887.db2.gz MRRCBLKDWQQDCI-MUJYYYPQSA-N 2 1 340.512 1.610 20 0 EDADMP C[NH+]1CCN(C(=O)CCN2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000338229885 318981101 /nfs/dbraw/zinc/98/11/01/318981101.db2.gz DBWPSOFNMISZLG-UHFFFAOYSA-N 2 1 336.524 1.348 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262771304 443211594 /nfs/dbraw/zinc/21/15/94/443211594.db2.gz MJSOSYLZQWCDBZ-YVSFHVDLSA-N 2 1 347.507 1.904 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(Br)o2)CC1 ZINC000190951493 443212981 /nfs/dbraw/zinc/21/29/81/443212981.db2.gz DUXJONOEHAMALZ-UHFFFAOYSA-N 2 1 330.226 1.296 20 0 EDADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000411741163 319199609 /nfs/dbraw/zinc/19/96/09/319199609.db2.gz ZFTOAQUKXURRQX-KRWDZBQOSA-N 2 1 334.508 1.853 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1C ZINC000245880615 443254513 /nfs/dbraw/zinc/25/45/13/443254513.db2.gz NOLTUNPIBHNUGE-KBPBESRZSA-N 2 1 340.512 1.392 20 0 EDADMP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000413076524 319263158 /nfs/dbraw/zinc/26/31/58/319263158.db2.gz QXGBVLONCDJDRV-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000413076524 319263160 /nfs/dbraw/zinc/26/31/60/319263160.db2.gz QXGBVLONCDJDRV-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C[C@H]1COc2ccccc2O1 ZINC000414673422 319339699 /nfs/dbraw/zinc/33/96/99/319339699.db2.gz CFYGZOCNXSXDCV-CVEARBPZSA-N 2 1 347.459 1.346 20 0 EDADMP COc1ccc(C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C2CC2)cc1 ZINC000414674774 319339922 /nfs/dbraw/zinc/33/99/22/319339922.db2.gz FCRSLJMANSOESP-MRXNPFEDSA-N 2 1 331.460 1.857 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCOC[C@H]2Cc2ccccc2)C1 ZINC000414679208 319340785 /nfs/dbraw/zinc/34/07/85/319340785.db2.gz RHSBMTXLANEGBC-ZWKOTPCHSA-N 2 1 331.460 1.127 20 0 EDADMP C[C@@H](c1ccc(NC(=O)N2CC[NH2+][C@@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000415189936 319348391 /nfs/dbraw/zinc/34/83/91/319348391.db2.gz WUOIHNUVBYKIEU-GJZGRUSLSA-N 2 1 332.448 1.905 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)Cc1ccccc1 ZINC000415989326 319387803 /nfs/dbraw/zinc/38/78/03/319387803.db2.gz AAHFYWKAZSZLKJ-ZDUSSCGKSA-N 2 1 332.370 1.697 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000269272738 443261297 /nfs/dbraw/zinc/26/12/97/443261297.db2.gz UFIYKIPIYXGPAW-NJAFHUGGSA-N 2 1 331.460 1.392 20 0 EDADMP C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000278401662 443320157 /nfs/dbraw/zinc/32/01/57/443320157.db2.gz BPIXDNDTMJROJG-GOSISDBHSA-N 2 1 331.460 1.870 20 0 EDADMP C[C@H]([NH2+]CCNS(C)(=O)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272466549 443328091 /nfs/dbraw/zinc/32/80/91/443328091.db2.gz KWZDZZSAIUICFB-HOCLYGCPSA-N 2 1 325.478 1.036 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)CC[N@@H+]1C ZINC000282434738 443338350 /nfs/dbraw/zinc/33/83/50/443338350.db2.gz MMSIYLSNQRNMFP-IXDOHACOSA-N 2 1 331.460 1.739 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)CC[N@H+]1C ZINC000282434738 443338355 /nfs/dbraw/zinc/33/83/55/443338355.db2.gz MMSIYLSNQRNMFP-IXDOHACOSA-N 2 1 331.460 1.739 20 0 EDADMP CC(C)C(=O)N1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000191477009 443299931 /nfs/dbraw/zinc/29/99/31/443299931.db2.gz LPYQRVQKIGXHHW-UHFFFAOYSA-N 2 1 338.540 1.593 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000264793794 443427921 /nfs/dbraw/zinc/42/79/21/443427921.db2.gz RVZRIVXUJVRXGA-MRXNPFEDSA-N 2 1 340.431 1.565 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000264793794 443427926 /nfs/dbraw/zinc/42/79/26/443427926.db2.gz RVZRIVXUJVRXGA-MRXNPFEDSA-N 2 1 340.431 1.565 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)NCC[N@@H+](C)C3CC3)CC2)c1 ZINC000264809921 443435295 /nfs/dbraw/zinc/43/52/95/443435295.db2.gz GEOLWBGIKMETGC-UHFFFAOYSA-N 2 1 333.436 1.016 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000267503163 443478933 /nfs/dbraw/zinc/47/89/33/443478933.db2.gz JOSDFHWLTJBZOS-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000267503163 443478938 /nfs/dbraw/zinc/47/89/38/443478938.db2.gz JOSDFHWLTJBZOS-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP CN(CC[N@@H+](C)CCC(=O)Nc1ccccc1)C1CC[NH+](C)CC1 ZINC000267466008 443467344 /nfs/dbraw/zinc/46/73/44/443467344.db2.gz MBAGCAVYYUEDDC-UHFFFAOYSA-N 2 1 332.492 1.973 20 0 EDADMP COc1ccc(-n2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])n2)cc1 ZINC000422950756 319740792 /nfs/dbraw/zinc/74/07/92/319740792.db2.gz YUGQJYAMDLYCOO-FSPWUOQZSA-N 2 1 330.432 1.723 20 0 EDADMP C[C@@]1(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000272931111 443493691 /nfs/dbraw/zinc/49/36/91/443493691.db2.gz AQPOQJLWHORYSZ-UYAOXDASSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@@]1(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000272931111 443493696 /nfs/dbraw/zinc/49/36/96/443493696.db2.gz AQPOQJLWHORYSZ-UYAOXDASSA-N 2 1 345.487 1.783 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000423831687 319820206 /nfs/dbraw/zinc/82/02/06/319820206.db2.gz FRYBOHQOSRZFLV-GOSISDBHSA-N 2 1 349.475 1.654 20 0 EDADMP C[NH+]1CCN(C(=O)CCN2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000283568279 443662459 /nfs/dbraw/zinc/66/24/59/443662459.db2.gz OGRDXYOAHWUYPG-QGZVFWFLSA-N 2 1 335.423 1.363 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000439344240 320045085 /nfs/dbraw/zinc/04/50/85/320045085.db2.gz DUHRTRGKQCRKQC-DLBZAZTESA-N 2 1 325.497 1.770 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)C[N@H+]1C1CC1 ZINC000441055723 320086996 /nfs/dbraw/zinc/08/69/96/320086996.db2.gz ZDJWDODGOYKDEV-WWGRRREGSA-N 2 1 326.510 1.348 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccccc1 ZINC000444193045 320119679 /nfs/dbraw/zinc/11/96/79/320119679.db2.gz ZVWYOMZNZXPWSP-BJLQDIEVSA-N 2 1 345.487 1.812 20 0 EDADMP CCO[C@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000449497767 320192799 /nfs/dbraw/zinc/19/27/99/320192799.db2.gz ROZWUNGAELEGNE-WBVHZDCISA-N 2 1 333.480 1.475 20 0 EDADMP CCO[C@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000449497767 320192801 /nfs/dbraw/zinc/19/28/01/320192801.db2.gz ROZWUNGAELEGNE-WBVHZDCISA-N 2 1 333.480 1.475 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CCCC1 ZINC000457441382 320325989 /nfs/dbraw/zinc/32/59/89/320325989.db2.gz QOFIINNSHIBHAJ-OAHLLOKOSA-N 2 1 326.485 1.007 20 0 EDADMP CC(C)C[C@H](CNC(=O)NC(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000457615314 320331374 /nfs/dbraw/zinc/33/13/74/320331374.db2.gz XNHODMPWMHEBTI-OAHLLOKOSA-N 2 1 328.501 1.373 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](C)CC1 ZINC000516779070 320441225 /nfs/dbraw/zinc/44/12/25/320441225.db2.gz CHRJUAIWJZVLNU-MRXNPFEDSA-N 2 1 332.448 1.445 20 0 EDADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000298891881 443894287 /nfs/dbraw/zinc/89/42/87/443894287.db2.gz XEXVQNIKTNJJFK-HUUCEWRRSA-N 2 1 346.475 1.852 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000285146637 443873009 /nfs/dbraw/zinc/87/30/09/443873009.db2.gz SKJOKDYNCFHRBS-HNNXBMFYSA-N 2 1 348.491 1.211 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000288594404 443929426 /nfs/dbraw/zinc/92/94/26/443929426.db2.gz TUZQUHRDPKZNNJ-WMZOPIPTSA-N 2 1 348.491 1.527 20 0 EDADMP CCS(=O)(=O)N1CCC(C[NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000545349476 320800201 /nfs/dbraw/zinc/80/02/01/320800201.db2.gz CABKBAKCFHXISA-UHFFFAOYSA-N 2 1 340.493 1.299 20 0 EDADMP COc1ccc(CC[C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1O ZINC000277342446 443967070 /nfs/dbraw/zinc/96/70/70/443967070.db2.gz YGUPXIRAMJLFHS-OAHLLOKOSA-N 2 1 349.475 1.476 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000299240186 443992708 /nfs/dbraw/zinc/99/27/08/443992708.db2.gz JGUOZOPSYCUZBV-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000299242063 443993663 /nfs/dbraw/zinc/99/36/63/443993663.db2.gz KNGLBYXBTKXHND-KRWDZBQOSA-N 2 1 336.455 1.993 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000299242064 443993914 /nfs/dbraw/zinc/99/39/14/443993914.db2.gz KNGLBYXBTKXHND-QGZVFWFLSA-N 2 1 336.455 1.993 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293555553 444053362 /nfs/dbraw/zinc/05/33/62/444053362.db2.gz ZHWHAHCMYGYPCQ-OAHLLOKOSA-N 2 1 343.431 1.572 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293555553 444053365 /nfs/dbraw/zinc/05/33/65/444053365.db2.gz ZHWHAHCMYGYPCQ-OAHLLOKOSA-N 2 1 343.431 1.572 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCn3ccnc3)CC2)CC1 ZINC000561069707 321032393 /nfs/dbraw/zinc/03/23/93/321032393.db2.gz MJPJTTSNYJXSEI-UHFFFAOYSA-N 2 1 347.507 1.586 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)OC[C@H]3C)CC2)CC1 ZINC000561118077 321033695 /nfs/dbraw/zinc/03/36/95/321033695.db2.gz GWZJRXUPADUZNA-HZPDHXFCSA-N 2 1 337.508 1.819 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000561145261 321035075 /nfs/dbraw/zinc/03/50/75/321035075.db2.gz CUJYTLXWFUMCMM-ZWKOTPCHSA-N 2 1 346.475 1.329 20 0 EDADMP COC[C@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000562521573 321060801 /nfs/dbraw/zinc/06/08/01/321060801.db2.gz LTLHXYXCKJLSDQ-AEFFLSMTSA-N 2 1 325.497 1.535 20 0 EDADMP COC[C@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000562521573 321060803 /nfs/dbraw/zinc/06/08/03/321060803.db2.gz LTLHXYXCKJLSDQ-AEFFLSMTSA-N 2 1 325.497 1.535 20 0 EDADMP COC[C@H](C)C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000562521573 321060804 /nfs/dbraw/zinc/06/08/04/321060804.db2.gz LTLHXYXCKJLSDQ-AEFFLSMTSA-N 2 1 325.497 1.535 20 0 EDADMP COC[C@H](C)C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000562521573 321060806 /nfs/dbraw/zinc/06/08/06/321060806.db2.gz LTLHXYXCKJLSDQ-AEFFLSMTSA-N 2 1 325.497 1.535 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]CCC(=O)Nc1cccnc1)C2 ZINC000563138290 321098124 /nfs/dbraw/zinc/09/81/24/321098124.db2.gz OKWIFEKIWJNSPT-CQSZACIVSA-N 2 1 343.431 1.055 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000563972480 321118519 /nfs/dbraw/zinc/11/85/19/321118519.db2.gz VRCLOCJQXXXLSI-KRWDZBQOSA-N 2 1 339.524 1.925 20 0 EDADMP COCC[NH+](C)CCCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000563972480 321118520 /nfs/dbraw/zinc/11/85/20/321118520.db2.gz VRCLOCJQXXXLSI-KRWDZBQOSA-N 2 1 339.524 1.925 20 0 EDADMP COCC[NH+](C)CCCC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000563972480 321118521 /nfs/dbraw/zinc/11/85/21/321118521.db2.gz VRCLOCJQXXXLSI-KRWDZBQOSA-N 2 1 339.524 1.925 20 0 EDADMP C[N@@H+](C[C@@H](O)CN(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1)C1CC1 ZINC000564665464 321140397 /nfs/dbraw/zinc/14/03/97/321140397.db2.gz INKJDBQMWDXNDP-QWFCFKBJSA-N 2 1 348.487 1.953 20 0 EDADMP CN(C[C@@H](O)C[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1)C1CC1 ZINC000564665464 321140401 /nfs/dbraw/zinc/14/04/01/321140401.db2.gz INKJDBQMWDXNDP-QWFCFKBJSA-N 2 1 348.487 1.953 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000566009860 321210467 /nfs/dbraw/zinc/21/04/67/321210467.db2.gz OZJBAECWWLKTJI-MPTYRVRUSA-N 2 1 346.475 1.180 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000567746438 321257395 /nfs/dbraw/zinc/25/73/95/321257395.db2.gz CTDXSRRJRJJHMT-LSDHHAIUSA-N 2 1 338.521 1.541 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000568202706 321280214 /nfs/dbraw/zinc/28/02/14/321280214.db2.gz UCQZYSCGUCHPOF-NJAFHUGGSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000568202706 321280215 /nfs/dbraw/zinc/28/02/15/321280215.db2.gz UCQZYSCGUCHPOF-NJAFHUGGSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000568202706 321280216 /nfs/dbraw/zinc/28/02/16/321280216.db2.gz UCQZYSCGUCHPOF-NJAFHUGGSA-N 2 1 331.460 1.080 20 0 EDADMP [NH3+]C[C@H](NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000568609015 321298794 /nfs/dbraw/zinc/29/87/94/321298794.db2.gz RULGGCJHTWJMFK-QRVBRYPASA-N 2 1 342.487 1.887 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000568770195 321305943 /nfs/dbraw/zinc/30/59/43/321305943.db2.gz VNSCHZYXGMTFOE-ZWKOTPCHSA-N 2 1 330.476 1.682 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000570262692 321343136 /nfs/dbraw/zinc/34/31/36/321343136.db2.gz IFLOXDRYCPMDBH-HNNXBMFYSA-N 2 1 344.459 1.212 20 0 EDADMP CN(C(=O)Cn1ccnc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000570544863 321346770 /nfs/dbraw/zinc/34/67/70/321346770.db2.gz OJSYYSJBWOOHID-MSOLQXFVSA-N 2 1 347.507 1.679 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000570949571 321366243 /nfs/dbraw/zinc/36/62/43/321366243.db2.gz LKRUEEURBGXRJX-OAHLLOKOSA-N 2 1 340.512 1.023 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)[C@@H](C)C1 ZINC000282266491 444131495 /nfs/dbraw/zinc/13/14/95/444131495.db2.gz AGGHATOTCZBTCB-LNLFQRSKSA-N 2 1 345.487 1.986 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)n1C ZINC000573224685 321445613 /nfs/dbraw/zinc/44/56/13/321445613.db2.gz LZLDXPOKOPAEGS-MRXNPFEDSA-N 2 1 342.447 1.172 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(F)(c3ccccn3)CC2)CC1 ZINC000294885516 444154145 /nfs/dbraw/zinc/15/41/45/444154145.db2.gz APLIPUNKWASLOY-UHFFFAOYSA-N 2 1 334.439 1.506 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](O)CC(C)(C)C1)c1ccccc1 ZINC000296164167 444208905 /nfs/dbraw/zinc/20/89/05/444208905.db2.gz SYKCBOZKRNFCKY-QZTJIDSGSA-N 2 1 347.503 1.888 20 0 EDADMP COCc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000289897078 444216686 /nfs/dbraw/zinc/21/66/86/444216686.db2.gz UBGOINODBMAQSD-UHFFFAOYSA-N 2 1 345.487 1.819 20 0 EDADMP CS[C@H]1CC[N@@H+](CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000296305539 444219238 /nfs/dbraw/zinc/21/92/38/444219238.db2.gz NVACEAWGQSBRFH-KRWDZBQOSA-N 2 1 349.500 1.895 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000295236594 444172670 /nfs/dbraw/zinc/17/26/70/444172670.db2.gz SHYCBHWTHARZKB-HNNXBMFYSA-N 2 1 346.475 1.330 20 0 EDADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1Cl ZINC000305123226 444259332 /nfs/dbraw/zinc/25/93/32/444259332.db2.gz KIBGDLOKQGAPLM-OCCSQVGLSA-N 2 1 327.856 1.878 20 0 EDADMP C[NH+](C)CCCOc1cnccc1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000290376799 444273631 /nfs/dbraw/zinc/27/36/31/444273631.db2.gz BSJQBVYIXSXSBR-QGZVFWFLSA-N 2 1 346.475 1.655 20 0 EDADMP CO[C@H](C[NH3+])C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000290024652 444232424 /nfs/dbraw/zinc/23/24/24/444232424.db2.gz RJIZZWROAMIIAU-RVKKMQEKSA-N 2 1 333.476 1.754 20 0 EDADMP CC(C)CN(C(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)C1CC1 ZINC000303338796 444236900 /nfs/dbraw/zinc/23/69/00/444236900.db2.gz YLJGPACFEOIQDE-INIZCTEOSA-N 2 1 339.524 1.658 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000577208327 321632855 /nfs/dbraw/zinc/63/28/55/321632855.db2.gz SNZBPVSJLHHJAQ-OAGGEKHMSA-N 2 1 326.485 1.447 20 0 EDADMP CCO[C@H](C)c1noc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000303870254 444237790 /nfs/dbraw/zinc/23/77/90/444237790.db2.gz QBHJBLYTMKEUNS-UONOGXRCSA-N 2 1 340.468 1.692 20 0 EDADMP CCO[C@H](C)c1noc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000303870254 444237792 /nfs/dbraw/zinc/23/77/92/444237792.db2.gz QBHJBLYTMKEUNS-UONOGXRCSA-N 2 1 340.468 1.692 20 0 EDADMP COC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000310347771 444291160 /nfs/dbraw/zinc/29/11/60/444291160.db2.gz OLHJMDFEDGGVNP-PKOBYXMFSA-N 2 1 331.460 1.251 20 0 EDADMP C[C@@H](NC(=O)COC1(C)C[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310426398 444291736 /nfs/dbraw/zinc/29/17/36/444291736.db2.gz PDONYXNHBNXGQC-WBVHZDCISA-N 2 1 331.460 1.392 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@H]1CCSC1)c1cccc(F)c1 ZINC000339977044 444347431 /nfs/dbraw/zinc/34/74/31/444347431.db2.gz RYCRYVWKBQCCTI-JKSUJKDBSA-N 2 1 339.480 1.982 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000337816194 444420563 /nfs/dbraw/zinc/42/05/63/444420563.db2.gz QSRHCPRRXGWBCY-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)n2)cc1 ZINC000327639695 444382946 /nfs/dbraw/zinc/38/29/46/444382946.db2.gz SBUNLVBBPJRYRF-OAHLLOKOSA-N 2 1 343.431 1.332 20 0 EDADMP Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)n2)cc1 ZINC000327639695 444382949 /nfs/dbraw/zinc/38/29/49/444382949.db2.gz SBUNLVBBPJRYRF-OAHLLOKOSA-N 2 1 343.431 1.332 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[NH+](C)C ZINC000580539594 322063460 /nfs/dbraw/zinc/06/34/60/322063460.db2.gz VIQJOWQVPZQHGQ-OIISXLGYSA-N 2 1 346.475 1.691 20 0 EDADMP C[N@H+]1CC[C@@](O)(CN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000580873130 322105938 /nfs/dbraw/zinc/10/59/38/322105938.db2.gz QDJGWJCXJWLPKK-IYWMVGAKSA-N 2 1 329.488 1.838 20 0 EDADMP C[NH+]1CC[C@@](O)(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000580873130 322105941 /nfs/dbraw/zinc/10/59/41/322105941.db2.gz QDJGWJCXJWLPKK-IYWMVGAKSA-N 2 1 329.488 1.838 20 0 EDADMP C[NH+]1CC[C@@](O)(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000580873130 322105943 /nfs/dbraw/zinc/10/59/43/322105943.db2.gz QDJGWJCXJWLPKK-IYWMVGAKSA-N 2 1 329.488 1.838 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000581258529 322156476 /nfs/dbraw/zinc/15/64/76/322156476.db2.gz DZKZHPMDCRVRBF-KRWDZBQOSA-N 2 1 344.459 1.170 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+]([C@H]3CCN(c4ccccc4)C3=O)C2)nn1 ZINC000581993540 322242100 /nfs/dbraw/zinc/24/21/00/322242100.db2.gz DHQANOJQVUDVII-SJORKVTESA-N 2 1 340.431 1.179 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@H+]([C@H]3CCN(c4ccccc4)C3=O)C2)nn1 ZINC000581993540 322242102 /nfs/dbraw/zinc/24/21/02/322242102.db2.gz DHQANOJQVUDVII-SJORKVTESA-N 2 1 340.431 1.179 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000338101129 444516599 /nfs/dbraw/zinc/51/65/99/444516599.db2.gz PSHFTEYCDAHGOR-IAGOWNOFSA-N 2 1 349.479 1.259 20 0 EDADMP C[C@@H]1C[N@H+](C)CCN1c1nc(C2CC2)cc(N2CC[NH+](C)C[C@@H]2C)n1 ZINC000342209344 444565362 /nfs/dbraw/zinc/56/53/62/444565362.db2.gz RSTGKSZKNQTCJI-LSDHHAIUSA-N 2 1 344.507 1.635 20 0 EDADMP CN(CC[N@@H+](C)Cc1ccc2c(c1)nnn2C)C1CC[NH+](C)CC1 ZINC000340951235 444593293 /nfs/dbraw/zinc/59/32/93/444593293.db2.gz BFALLISMVCOMNP-UHFFFAOYSA-N 2 1 330.480 1.426 20 0 EDADMP C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)n2)CC1 ZINC000332976314 444618043 /nfs/dbraw/zinc/61/80/43/444618043.db2.gz KQBYOHNFILXJED-JKSUJKDBSA-N 2 1 346.479 1.898 20 0 EDADMP C[N@H+]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000332995717 444625267 /nfs/dbraw/zinc/62/52/67/444625267.db2.gz FUGRSLBKMCPIOX-DLBZAZTESA-N 2 1 338.496 1.101 20 0 EDADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000333472035 444674578 /nfs/dbraw/zinc/67/45/78/444674578.db2.gz AKPVTGKTDQJZGG-UIJHXXCUSA-N 2 1 334.508 1.240 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCCO1 ZINC000341021287 444636507 /nfs/dbraw/zinc/63/65/07/444636507.db2.gz SUQNUEARYRYIGV-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)cn1 ZINC000342453118 444698771 /nfs/dbraw/zinc/69/87/71/444698771.db2.gz BYOWCHGKLRGYQH-RDJZCZTQSA-N 2 1 333.480 1.135 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)cn1 ZINC000342453118 444698777 /nfs/dbraw/zinc/69/87/77/444698777.db2.gz BYOWCHGKLRGYQH-RDJZCZTQSA-N 2 1 333.480 1.135 20 0 EDADMP CCn1cc(C[NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC000342453118 444698781 /nfs/dbraw/zinc/69/87/81/444698781.db2.gz BYOWCHGKLRGYQH-RDJZCZTQSA-N 2 1 333.480 1.135 20 0 EDADMP CCn1cc(C[NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC000342453118 444698786 /nfs/dbraw/zinc/69/87/86/444698786.db2.gz BYOWCHGKLRGYQH-RDJZCZTQSA-N 2 1 333.480 1.135 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+](C)C1CC1 ZINC000341124956 444685761 /nfs/dbraw/zinc/68/57/61/444685761.db2.gz LHNGQRKZSLLNMS-KRWDZBQOSA-N 3 1 339.528 1.138 20 0 EDADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[N@H+](C)C1CC1 ZINC000341124956 444685767 /nfs/dbraw/zinc/68/57/67/444685767.db2.gz LHNGQRKZSLLNMS-KRWDZBQOSA-N 3 1 339.528 1.138 20 0 EDADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000341124956 444685772 /nfs/dbraw/zinc/68/57/72/444685772.db2.gz LHNGQRKZSLLNMS-KRWDZBQOSA-N 3 1 339.528 1.138 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000333682155 444689818 /nfs/dbraw/zinc/68/98/18/444689818.db2.gz ABDDFGWLSYEISW-INIZCTEOSA-N 2 1 338.496 1.415 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C[C@H](C)[N@@H+]1C ZINC000334000395 444742037 /nfs/dbraw/zinc/74/20/37/444742037.db2.gz REZYDXHKZCOUGO-FSDCSDTHSA-N 2 1 338.496 1.098 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000336875003 444820656 /nfs/dbraw/zinc/82/06/56/444820656.db2.gz ZSHLVLVZKJNGFA-DLBZAZTESA-N 2 1 343.537 1.322 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000336875003 444820661 /nfs/dbraw/zinc/82/06/61/444820661.db2.gz ZSHLVLVZKJNGFA-DLBZAZTESA-N 2 1 343.537 1.322 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000336875003 444820665 /nfs/dbraw/zinc/82/06/65/444820665.db2.gz ZSHLVLVZKJNGFA-DLBZAZTESA-N 2 1 343.537 1.322 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000342693084 444817729 /nfs/dbraw/zinc/81/77/29/444817729.db2.gz LSFDFRWTNLDTGV-LRDDRELGSA-N 2 1 344.415 1.638 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)C2(N3CCOCC3)CCC2)C1 ZINC000342756450 444850801 /nfs/dbraw/zinc/85/08/01/444850801.db2.gz RWVCPVAWYIBEIC-UHFFFAOYSA-N 2 1 343.471 1.584 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CC[NH2+]CC2(F)F)[NH+](C)C)cc1 ZINC000342764961 444854779 /nfs/dbraw/zinc/85/47/79/444854779.db2.gz KYUHDKXNJLROKF-HUUCEWRRSA-N 2 1 325.403 1.959 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)C1 ZINC000344237791 444856189 /nfs/dbraw/zinc/85/61/89/444856189.db2.gz OPPBATQKGIRHQL-BZUAXINKSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000344237791 444856193 /nfs/dbraw/zinc/85/61/93/444856193.db2.gz OPPBATQKGIRHQL-BZUAXINKSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000344237791 444856201 /nfs/dbraw/zinc/85/62/01/444856201.db2.gz OPPBATQKGIRHQL-BZUAXINKSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000342781226 444864266 /nfs/dbraw/zinc/86/42/66/444864266.db2.gz NGAGBVSLCCTWBP-BEFAXECRSA-N 2 1 345.487 1.457 20 0 EDADMP Cc1nn(C)c(C)c1[C@H]1[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC(=O)N1C ZINC000330197820 444883509 /nfs/dbraw/zinc/88/35/09/444883509.db2.gz SIBZIJFYEHVPGA-XKLVTHTNSA-N 2 1 333.480 1.381 20 0 EDADMP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)CC(=O)N1C ZINC000330197820 444883516 /nfs/dbraw/zinc/88/35/16/444883516.db2.gz SIBZIJFYEHVPGA-XKLVTHTNSA-N 2 1 333.480 1.381 20 0 EDADMP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC(=O)N1C ZINC000330197820 444883519 /nfs/dbraw/zinc/88/35/19/444883519.db2.gz SIBZIJFYEHVPGA-XKLVTHTNSA-N 2 1 333.480 1.381 20 0 EDADMP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC(=O)N1C ZINC000330197820 444883524 /nfs/dbraw/zinc/88/35/24/444883524.db2.gz SIBZIJFYEHVPGA-XKLVTHTNSA-N 2 1 333.480 1.381 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000341546476 444886387 /nfs/dbraw/zinc/88/63/87/444886387.db2.gz IDMKEZYGURRERI-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](C[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1)c1nccs1 ZINC000344406105 444945674 /nfs/dbraw/zinc/94/56/74/444945674.db2.gz YIJGIUQVBUFRMY-ZDUSSCGKSA-N 2 1 336.505 1.921 20 0 EDADMP C[C@@H](C[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1)c1nccs1 ZINC000344406105 444945678 /nfs/dbraw/zinc/94/56/78/444945678.db2.gz YIJGIUQVBUFRMY-ZDUSSCGKSA-N 2 1 336.505 1.921 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000341707273 444961065 /nfs/dbraw/zinc/96/10/65/444961065.db2.gz VEXMNOUQZAWJHM-GOSISDBHSA-N 2 1 346.519 1.651 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337082346 444934556 /nfs/dbraw/zinc/93/45/56/444934556.db2.gz XGLIIKNPSWLFPO-IEZWGBDMSA-N 2 1 339.439 1.896 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccccc1 ZINC000343039495 445022671 /nfs/dbraw/zinc/02/26/71/445022671.db2.gz JXUTYRPQNVAELW-MOPGFXCFSA-N 2 1 344.503 1.576 20 0 EDADMP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)NCC(=O)c1ccccc1 ZINC000337220069 444991331 /nfs/dbraw/zinc/99/13/31/444991331.db2.gz KGJYUEXVBXPHGX-UHFFFAOYSA-N 2 1 331.460 1.793 20 0 EDADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)NCC(=O)c1ccccc1 ZINC000337220069 444991334 /nfs/dbraw/zinc/99/13/34/444991334.db2.gz KGJYUEXVBXPHGX-UHFFFAOYSA-N 2 1 331.460 1.793 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCN(c3ccccc3)CC2)CC1 ZINC000339033923 444999229 /nfs/dbraw/zinc/99/92/29/444999229.db2.gz PCHVPFFLIXLUGF-UHFFFAOYSA-N 2 1 344.503 1.799 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000344495317 445010606 /nfs/dbraw/zinc/01/06/06/445010606.db2.gz YLVUGUCPJOTTGJ-KRWDZBQOSA-N 2 1 347.507 1.590 20 0 EDADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CCN4CCOC[C@@H]4C3)C2)cc1 ZINC000341909947 445066567 /nfs/dbraw/zinc/06/65/67/445066567.db2.gz NBQUAVKQOIDBRA-VQTJNVASSA-N 2 1 345.487 1.294 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCOCC1 ZINC000337355869 445045981 /nfs/dbraw/zinc/04/59/81/445045981.db2.gz DXXNIECVJOQNHZ-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCOCC1 ZINC000337355869 445045985 /nfs/dbraw/zinc/04/59/85/445045985.db2.gz DXXNIECVJOQNHZ-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000339223560 445098942 /nfs/dbraw/zinc/09/89/42/445098942.db2.gz BVHCEURSFVNIQO-HZPDHXFCSA-N 2 1 325.497 1.722 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@@H]21 ZINC000342089604 445165976 /nfs/dbraw/zinc/16/59/76/445165976.db2.gz RZGKVQFHGLTNLG-VNQPRFMTSA-N 2 1 345.443 1.846 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@@H]21 ZINC000342089604 445165980 /nfs/dbraw/zinc/16/59/80/445165980.db2.gz RZGKVQFHGLTNLG-VNQPRFMTSA-N 2 1 345.443 1.846 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C[C@H]21 ZINC000342095671 445169894 /nfs/dbraw/zinc/16/98/94/445169894.db2.gz YJWQNCNMACUDRR-BPLDGKMQSA-N 2 1 331.416 1.456 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C[C@H]21 ZINC000342095671 445169896 /nfs/dbraw/zinc/16/98/96/445169896.db2.gz YJWQNCNMACUDRR-BPLDGKMQSA-N 2 1 331.416 1.456 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000339825278 445171962 /nfs/dbraw/zinc/17/19/62/445171962.db2.gz ZLOOQTBALJFMGM-CVEARBPZSA-N 2 1 328.501 1.373 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000339825278 445171965 /nfs/dbraw/zinc/17/19/65/445171965.db2.gz ZLOOQTBALJFMGM-CVEARBPZSA-N 2 1 328.501 1.373 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339825278 445171966 /nfs/dbraw/zinc/17/19/66/445171966.db2.gz ZLOOQTBALJFMGM-CVEARBPZSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@H](CCO)C1(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCC1 ZINC000345192035 445173764 /nfs/dbraw/zinc/17/37/64/445173764.db2.gz XQRIKBQEBWLXJV-MRXNPFEDSA-N 2 1 347.507 1.507 20 0 EDADMP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C2)CC1 ZINC000339460815 445144131 /nfs/dbraw/zinc/14/41/31/445144131.db2.gz JRPAMTJODBEOLZ-IEBWSBKVSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1cnn(CCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000619180118 450422263 /nfs/dbraw/zinc/42/22/63/450422263.db2.gz IHBRCSUIIHCBCS-UHFFFAOYSA-N 2 1 328.420 1.367 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H](C)C[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000346182825 445207785 /nfs/dbraw/zinc/20/77/85/445207785.db2.gz DXXYGNJBGGBHPH-BZUAXINKSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](CN(C)[C@H]1CC[N@H+](C2CC2)C1)C[NH+](C)[C@@H]1CCN(C2CC2)C1 ZINC000346645873 445221269 /nfs/dbraw/zinc/22/12/69/445221269.db2.gz QEQNLFVCGWTMCH-PDFPEKILSA-N 2 1 334.552 1.960 20 0 EDADMP C[C@H](CN(C)[C@H]1CC[NH+](C2CC2)C1)C[N@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000346645873 445221271 /nfs/dbraw/zinc/22/12/71/445221271.db2.gz QEQNLFVCGWTMCH-PDFPEKILSA-N 2 1 334.552 1.960 20 0 EDADMP C[C@H](CN(C)[C@H]1CC[NH+](C2CC2)C1)C[N@@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000346645873 445221273 /nfs/dbraw/zinc/22/12/73/445221273.db2.gz QEQNLFVCGWTMCH-PDFPEKILSA-N 2 1 334.552 1.960 20 0 EDADMP C[C@@H](CN(C)[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+](C)[C@H]1CCN(C2CC2)C1 ZINC000346645873 445221275 /nfs/dbraw/zinc/22/12/75/445221275.db2.gz QEQNLFVCGWTMCH-PDFPEKILSA-N 2 1 334.552 1.960 20 0 EDADMP C[C@@H](CN(C)[C@@H]1CC[N@H+](C2CC2)C1)C[NH+](C)[C@H]1CCN(C2CC2)C1 ZINC000346645873 445221277 /nfs/dbraw/zinc/22/12/77/445221277.db2.gz QEQNLFVCGWTMCH-PDFPEKILSA-N 2 1 334.552 1.960 20 0 EDADMP C[C@@H](CN(C)[C@@H]1CC[NH+](C2CC2)C1)C[N@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000346645873 445221280 /nfs/dbraw/zinc/22/12/80/445221280.db2.gz QEQNLFVCGWTMCH-PDFPEKILSA-N 2 1 334.552 1.960 20 0 EDADMP C[C@@H](CN(C)[C@@H]1CC[NH+](C2CC2)C1)C[N@@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000346645873 445221281 /nfs/dbraw/zinc/22/12/81/445221281.db2.gz QEQNLFVCGWTMCH-PDFPEKILSA-N 2 1 334.552 1.960 20 0 EDADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343435688 445222752 /nfs/dbraw/zinc/22/27/52/445222752.db2.gz KMATYKJURRSJOB-HNNXBMFYSA-N 2 1 343.393 1.961 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000348186040 445309730 /nfs/dbraw/zinc/30/97/30/445309730.db2.gz DIJXEQUYNYFDPY-HNNXBMFYSA-N 2 1 332.510 1.244 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000348186040 445309733 /nfs/dbraw/zinc/30/97/33/445309733.db2.gz DIJXEQUYNYFDPY-HNNXBMFYSA-N 2 1 332.510 1.244 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000351719707 445291044 /nfs/dbraw/zinc/29/10/44/445291044.db2.gz SEKMWGYZDGMGAR-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)cc2F)CC1 ZINC000351820294 445332911 /nfs/dbraw/zinc/33/29/11/445332911.db2.gz FYVBITKGZVZAIX-GDBMZVCRSA-N 2 1 348.466 1.777 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCCCO[C@@H](C)c2ccccc2)C1 ZINC000351860984 445346322 /nfs/dbraw/zinc/34/63/22/445346322.db2.gz KENMMSUZSQOYGL-BQFCYCMXSA-N 2 1 333.476 1.940 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCCCO[C@@H](C)c2ccccc2)C1 ZINC000351860984 445346324 /nfs/dbraw/zinc/34/63/24/445346324.db2.gz KENMMSUZSQOYGL-BQFCYCMXSA-N 2 1 333.476 1.940 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCOCC2)[C@H](C)C1 ZINC000359680810 445372478 /nfs/dbraw/zinc/37/24/78/445372478.db2.gz QQDZABDINMRBAU-SQNIBIBYSA-N 2 1 327.513 1.434 20 0 EDADMP CC[N@@H+]1CC[C@H](CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000354807003 445401946 /nfs/dbraw/zinc/40/19/46/445401946.db2.gz NEHGFRZWOOWNJS-CQSZACIVSA-N 2 1 330.436 1.294 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000354807003 445401950 /nfs/dbraw/zinc/40/19/50/445401950.db2.gz NEHGFRZWOOWNJS-CQSZACIVSA-N 2 1 330.436 1.294 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2Cn2ccnc2C)CC1 ZINC000362482541 445405610 /nfs/dbraw/zinc/40/56/10/445405610.db2.gz GXPRXIQIIUAQIY-KRWDZBQOSA-N 2 1 333.480 1.256 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000362482541 445405614 /nfs/dbraw/zinc/40/56/14/445405614.db2.gz GXPRXIQIIUAQIY-KRWDZBQOSA-N 3 1 333.480 1.256 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000362482541 445405616 /nfs/dbraw/zinc/40/56/16/445405616.db2.gz GXPRXIQIIUAQIY-KRWDZBQOSA-N 3 1 333.480 1.256 20 0 EDADMP [NH3+]CCOCC[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000357093458 445424458 /nfs/dbraw/zinc/42/44/58/445424458.db2.gz YNOHPILEEPZFBM-UHFFFAOYSA-N 2 1 325.840 1.463 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357100364 445428532 /nfs/dbraw/zinc/42/85/32/445428532.db2.gz BUFRNXSXSKKKMS-CVEARBPZSA-N 2 1 347.459 1.251 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357100364 445428535 /nfs/dbraw/zinc/42/85/35/445428535.db2.gz BUFRNXSXSKKKMS-CVEARBPZSA-N 2 1 347.459 1.251 20 0 EDADMP CC[C@H](CNC(=O)CCOC1C[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000349007919 445474042 /nfs/dbraw/zinc/47/40/42/445474042.db2.gz VQXKONSHFGKIER-QGZVFWFLSA-N 2 1 331.460 1.318 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCOC1C[NH2+]C1 ZINC000349007012 445474197 /nfs/dbraw/zinc/47/41/97/445474197.db2.gz UVWMYSHRKTUZJO-KRWDZBQOSA-N 2 1 331.460 1.345 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC)cn2)C1 ZINC000352013486 445438551 /nfs/dbraw/zinc/43/85/51/445438551.db2.gz JDMQRIRRKWHCGR-QGZVFWFLSA-N 2 1 335.448 1.801 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000355418733 445459378 /nfs/dbraw/zinc/45/93/78/445459378.db2.gz LGQAUOHFESZBQO-HNNXBMFYSA-N 2 1 340.512 1.611 20 0 EDADMP CCc1nnsc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000357161356 445460937 /nfs/dbraw/zinc/46/09/37/445460937.db2.gz WFQJFTBJLJLDIS-ZDUSSCGKSA-N 2 1 339.509 1.589 20 0 EDADMP CCc1nnsc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000357161354 445461209 /nfs/dbraw/zinc/46/12/09/445461209.db2.gz WFQJFTBJLJLDIS-CYBMUJFWSA-N 2 1 339.509 1.589 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000362723994 445519345 /nfs/dbraw/zinc/51/93/45/445519345.db2.gz OWBOXOIMTMZULA-YJBOKZPZSA-N 2 1 333.476 1.483 20 0 EDADMP CC1CC[NH+](C[C@@H](O)CNc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000352369303 445522993 /nfs/dbraw/zinc/52/29/93/445522993.db2.gz ORZJYHILDVEMNX-INIZCTEOSA-N 2 1 333.480 1.972 20 0 EDADMP COC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000359936821 445495583 /nfs/dbraw/zinc/49/55/83/445495583.db2.gz TZQMZIMAXNCNSX-GOSISDBHSA-N 2 1 331.460 1.589 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)[C@H]2CCC[C@H]21 ZINC000353446750 445606093 /nfs/dbraw/zinc/60/60/93/445606093.db2.gz KOHADQOWGYEKJE-OWCLPIDISA-N 2 1 348.491 1.704 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000362923136 445611427 /nfs/dbraw/zinc/61/14/27/445611427.db2.gz QRUXYLCXKPAXQX-CQSZACIVSA-N 2 1 332.423 1.984 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCSC1 ZINC000360259772 445663312 /nfs/dbraw/zinc/66/33/12/445663312.db2.gz ZJCYMCGJOKIWIN-CJNGLKHVSA-N 2 1 326.510 1.207 20 0 EDADMP CC[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)OC ZINC000360594128 445715602 /nfs/dbraw/zinc/71/56/02/445715602.db2.gz CGQODLZVKCZSNB-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)[NH+](CC)CC ZINC000353779037 445751352 /nfs/dbraw/zinc/75/13/52/445751352.db2.gz IACRMMWBMZXERI-SJORKVTESA-N 2 1 326.529 1.497 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000358828549 445797331 /nfs/dbraw/zinc/79/73/31/445797331.db2.gz OTRJEIVFDRYEEB-OAHLLOKOSA-N 2 1 340.512 1.022 20 0 EDADMP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000361519683 445799963 /nfs/dbraw/zinc/79/99/63/445799963.db2.gz PJZIVWVXZMEGIF-OAHLLOKOSA-N 2 1 347.415 1.383 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000361684783 445876219 /nfs/dbraw/zinc/87/62/19/445876219.db2.gz AWVWCYFABKFQDB-MAUKXSAKSA-N 2 1 334.508 1.146 20 0 EDADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000353971274 445834632 /nfs/dbraw/zinc/83/46/32/445834632.db2.gz JICPQFDMMBXFNW-HNNXBMFYSA-N 2 1 331.526 1.653 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000361804262 445958907 /nfs/dbraw/zinc/95/89/07/445958907.db2.gz PMJTVYJVYCGNHJ-BRWVUGGUSA-N 2 1 337.512 1.086 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@H]1N1CCOCC1 ZINC000361804262 445958913 /nfs/dbraw/zinc/95/89/13/445958913.db2.gz PMJTVYJVYCGNHJ-BRWVUGGUSA-N 2 1 337.512 1.086 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000351018023 445971678 /nfs/dbraw/zinc/97/16/78/445971678.db2.gz TUYJNXYRNGHQAV-ARFHVFGLSA-N 2 1 340.512 1.164 20 0 EDADMP CC[NH+](CC)CCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000369210226 445996490 /nfs/dbraw/zinc/99/64/90/445996490.db2.gz UUGWJBLSTHQZHR-GOSISDBHSA-N 2 1 347.507 1.935 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C[C@H]1C ZINC000361792591 445950133 /nfs/dbraw/zinc/95/01/33/445950133.db2.gz OBWBWBURDVRITJ-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@H+]2CCOC)C[C@H]1C ZINC000361792591 445950140 /nfs/dbraw/zinc/95/01/40/445950140.db2.gz OBWBWBURDVRITJ-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000356815873 446045914 /nfs/dbraw/zinc/04/59/14/446045914.db2.gz CWMOQPKABHETFT-AWEZNQCLSA-N 2 1 348.495 1.358 20 0 EDADMP C[C@@H]1CN(C[C@H]2CN(C)CCO2)CC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000365066140 446003807 /nfs/dbraw/zinc/00/38/07/446003807.db2.gz HAAWTMMDRXOVHF-BHIYHBOVSA-N 2 1 339.524 1.264 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1=O ZINC000365154449 446057392 /nfs/dbraw/zinc/05/73/92/446057392.db2.gz IGNZHNUMQSUTPA-GDBMZVCRSA-N 2 1 333.480 1.304 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1=O ZINC000365154449 446057394 /nfs/dbraw/zinc/05/73/94/446057394.db2.gz IGNZHNUMQSUTPA-GDBMZVCRSA-N 2 1 333.480 1.304 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000584232047 326225546 /nfs/dbraw/zinc/22/55/46/326225546.db2.gz BHQZVYHJKXRGNI-GOSISDBHSA-N 2 1 330.432 1.190 20 0 EDADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000369323419 446074093 /nfs/dbraw/zinc/07/40/93/446074093.db2.gz XESCZPRYRVBYSQ-CVEARBPZSA-N 2 1 334.464 1.924 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000369336898 446082290 /nfs/dbraw/zinc/08/22/90/446082290.db2.gz YWKICWOJIFMAFV-BXUZGUMPSA-N 2 1 334.395 1.861 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)CCO)CC1)[NH+]1CCCCC1 ZINC000351484052 446083588 /nfs/dbraw/zinc/08/35/88/446083588.db2.gz CDYVSJKPRWAOLL-KRWDZBQOSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351500242 446106279 /nfs/dbraw/zinc/10/62/79/446106279.db2.gz WWVJQUVULKTSMM-KCITZHQASA-N 2 1 342.487 1.393 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000365257728 446106693 /nfs/dbraw/zinc/10/66/93/446106693.db2.gz JJEFUZQDUIQQOM-MRXNPFEDSA-N 2 1 349.523 1.081 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000365257728 446106699 /nfs/dbraw/zinc/10/66/99/446106699.db2.gz JJEFUZQDUIQQOM-MRXNPFEDSA-N 2 1 349.523 1.081 20 0 EDADMP COc1cc(C[C@H](CO)C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000361972960 446118372 /nfs/dbraw/zinc/11/83/72/446118372.db2.gz VDVYLCQDKZAQIX-URLQWDBASA-N 2 1 336.476 1.785 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)CC1 ZINC000366321725 446149537 /nfs/dbraw/zinc/14/95/37/446149537.db2.gz HYIJBZACALQYOY-DLBZAZTESA-N 3 1 336.524 1.426 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)[C@@H](C)C2)s1 ZINC000366327119 446154413 /nfs/dbraw/zinc/15/44/13/446154413.db2.gz SGHDNDXRZQNNMJ-DCDXPUDHSA-N 2 1 336.505 1.906 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000365411883 446195130 /nfs/dbraw/zinc/19/51/30/446195130.db2.gz KWRGJIRJFOTIOE-MRXNPFEDSA-N 2 1 325.497 1.868 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCc2ccccc2)C1 ZINC000370259330 446199931 /nfs/dbraw/zinc/19/99/31/446199931.db2.gz GBHTZGYFCFBXCB-OALUTQOASA-N 2 1 345.487 1.530 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCc2ccccc2)C1 ZINC000370259330 446199938 /nfs/dbraw/zinc/19/99/38/446199938.db2.gz GBHTZGYFCFBXCB-OALUTQOASA-N 2 1 345.487 1.530 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)C1 ZINC000370259330 446199946 /nfs/dbraw/zinc/19/99/46/446199946.db2.gz GBHTZGYFCFBXCB-OALUTQOASA-N 2 1 345.487 1.530 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCc2ccccc2)C1 ZINC000370259330 446199955 /nfs/dbraw/zinc/19/99/55/446199955.db2.gz GBHTZGYFCFBXCB-OALUTQOASA-N 2 1 345.487 1.530 20 0 EDADMP C[NH+](C)C1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000354454111 446216401 /nfs/dbraw/zinc/21/64/01/446216401.db2.gz KMRQGONCMXZZOT-INIZCTEOSA-N 2 1 337.414 1.916 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCCS(C)(=O)=O ZINC000373459761 446224775 /nfs/dbraw/zinc/22/47/75/446224775.db2.gz GVWMKLXUQSBZKK-IXDOHACOSA-N 2 1 346.537 1.680 20 0 EDADMP CC(C)CC[C@H](O)C[N@H+]1CCN(C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000366497183 446238158 /nfs/dbraw/zinc/23/81/58/446238158.db2.gz ZFTHHORTACRBQO-SQNIBIBYSA-N 2 1 327.513 1.120 20 0 EDADMP C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000362197875 446257999 /nfs/dbraw/zinc/25/79/99/446257999.db2.gz DKUCUTGRPZGHIN-GUDVDZBRSA-N 2 1 339.524 1.578 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C2CCN(C=O)CC2)[C@H](c2ccccc2)C1 ZINC000365708468 446309833 /nfs/dbraw/zinc/30/98/33/446309833.db2.gz VGYDPNCXCDDFQH-IBGZPJMESA-N 2 1 330.476 1.186 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CC[C@H]([NH3+])C3)c2)CCO1 ZINC000417273506 446337172 /nfs/dbraw/zinc/33/71/72/446337172.db2.gz XDGXSLFIPGVJBG-YOEHRIQHSA-N 2 1 332.448 1.150 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CC[C@H]([NH3+])C3)c2)CCO1 ZINC000417273506 446337178 /nfs/dbraw/zinc/33/71/78/446337178.db2.gz XDGXSLFIPGVJBG-YOEHRIQHSA-N 2 1 332.448 1.150 20 0 EDADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3CNC(=O)O3)CC2)CC1 ZINC000366781077 446348524 /nfs/dbraw/zinc/34/85/24/446348524.db2.gz REZGSGWBIFAJHN-KRWDZBQOSA-N 2 1 338.496 1.223 20 0 EDADMP O=C(CN1CC[C@@H](n2cccn2)C1)N1CCN(Cc2ccco2)CC1 ZINC000365829858 446360108 /nfs/dbraw/zinc/36/01/08/446360108.db2.gz DGWHJWMKCMEJNK-MRXNPFEDSA-N 2 1 343.431 1.067 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)NC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516662 446360452 /nfs/dbraw/zinc/36/04/52/446360452.db2.gz OHUZRCFNNVKCDF-AEFFLSMTSA-N 2 1 348.491 1.605 20 0 EDADMP Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)n1 ZINC000374298204 446361252 /nfs/dbraw/zinc/36/12/52/446361252.db2.gz SDXFZZWFCLFHMZ-IBGZPJMESA-N 2 1 348.539 1.775 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000417831973 446374292 /nfs/dbraw/zinc/37/42/92/446374292.db2.gz SQOJMIIVBROSDW-KBAYOESNSA-N 2 1 330.476 1.887 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000417871422 446375510 /nfs/dbraw/zinc/37/55/10/446375510.db2.gz JLHTXECVNGBUJS-NJAFHUGGSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000365891236 446390697 /nfs/dbraw/zinc/39/06/97/446390697.db2.gz QPSYXJYKWSEFGA-KBAYOESNSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366878050 446393700 /nfs/dbraw/zinc/39/37/00/446393700.db2.gz DERNBWRLZMZHIW-CYBMUJFWSA-N 2 1 333.484 1.389 20 0 EDADMP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366878050 446393704 /nfs/dbraw/zinc/39/37/04/446393704.db2.gz DERNBWRLZMZHIW-CYBMUJFWSA-N 2 1 333.484 1.389 20 0 EDADMP C[NH2+]CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417951420 446396704 /nfs/dbraw/zinc/39/67/04/446396704.db2.gz NEEAFIJWVFRGFY-SWLSCSKDSA-N 2 1 342.846 1.991 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCO[C@H](C[NH3+])C2)cc[nH+]1 ZINC000420248206 446430619 /nfs/dbraw/zinc/43/06/19/446430619.db2.gz VXKRFBKMORGANT-YCPHGPKFSA-N 2 1 335.452 1.256 20 0 EDADMP CC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000423168661 446445873 /nfs/dbraw/zinc/44/58/73/446445873.db2.gz HOPSCDUWAOLRBV-ZWKOTPCHSA-N 3 1 338.540 1.293 20 0 EDADMP CC[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000417989406 446409434 /nfs/dbraw/zinc/40/94/34/446409434.db2.gz KYSMLSJQVMXAJU-MSOLQXFVSA-N 2 1 346.475 1.882 20 0 EDADMP C[C@@H](NC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418006563 446413658 /nfs/dbraw/zinc/41/36/58/446413658.db2.gz MMYCJSJBSAXSSN-LMSBXDPUSA-N 2 1 330.476 1.886 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000418009586 446414788 /nfs/dbraw/zinc/41/47/88/446414788.db2.gz FJLOBIJEKXYIDV-UHFFFAOYSA-N 2 1 331.464 1.513 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000418189593 446454199 /nfs/dbraw/zinc/45/41/99/446454199.db2.gz HXMGJUREEZCUHY-NJAFHUGGSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]([NH3+])C1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000420291752 446455945 /nfs/dbraw/zinc/45/59/45/446455945.db2.gz KRMLGZQEHUNAIY-MAUKXSAKSA-N 2 1 332.492 1.465 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000420298260 446461908 /nfs/dbraw/zinc/46/19/08/446461908.db2.gz ZTLZIKDJHRELNI-PBHICJAKSA-N 2 1 349.475 1.783 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000420298260 446461915 /nfs/dbraw/zinc/46/19/15/446461915.db2.gz ZTLZIKDJHRELNI-PBHICJAKSA-N 2 1 349.475 1.783 20 0 EDADMP COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)CC[C@@H]3CC[NH2+]C3)C2=O)c1 ZINC000420299864 446461970 /nfs/dbraw/zinc/46/19/70/446461970.db2.gz JPUAOQCVLYPXLJ-KBXCAEBGSA-N 2 1 347.459 1.741 20 0 EDADMP COC(=O)[C@@H](C)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000367014370 446463418 /nfs/dbraw/zinc/46/34/18/446463418.db2.gz DUEDVWQKYYEGEX-INIZCTEOSA-N 2 1 339.524 1.924 20 0 EDADMP COC(=O)[C@@H](C)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367014370 446463426 /nfs/dbraw/zinc/46/34/26/446463426.db2.gz DUEDVWQKYYEGEX-INIZCTEOSA-N 3 1 339.524 1.924 20 0 EDADMP COC(=O)[C@@H](C)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367014370 446463433 /nfs/dbraw/zinc/46/34/33/446463433.db2.gz DUEDVWQKYYEGEX-INIZCTEOSA-N 3 1 339.524 1.924 20 0 EDADMP CC[C@@H]1CN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC[N@H+]1CCOC ZINC000420309747 446472876 /nfs/dbraw/zinc/47/28/76/446472876.db2.gz FEYFFRHEMWDEJT-QZTJIDSGSA-N 2 1 335.492 1.780 20 0 EDADMP CC(C)C(=O)N1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420319373 446485726 /nfs/dbraw/zinc/48/57/26/446485726.db2.gz PJVNPSZJVITZOF-ROUUACIJSA-N 2 1 333.476 1.108 20 0 EDADMP CC(C)C(=O)N1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420319373 446485732 /nfs/dbraw/zinc/48/57/32/446485732.db2.gz PJVNPSZJVITZOF-ROUUACIJSA-N 2 1 333.476 1.108 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000420320405 446485150 /nfs/dbraw/zinc/48/51/50/446485150.db2.gz QDFOGUZOPJUZIA-KCQAQPDRSA-N 2 1 333.432 1.147 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000420320405 446485161 /nfs/dbraw/zinc/48/51/61/446485161.db2.gz QDFOGUZOPJUZIA-KCQAQPDRSA-N 2 1 333.432 1.147 20 0 EDADMP O=C(NC1CC[NH2+]CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418301874 446491193 /nfs/dbraw/zinc/49/11/93/446491193.db2.gz AJMXIMXOOOUEQK-ZWKOTPCHSA-N 2 1 342.487 1.902 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000423332654 446491247 /nfs/dbraw/zinc/49/12/47/446491247.db2.gz QWMMJCJPPWAMKI-XYPHTWIQSA-N 2 1 344.459 1.463 20 0 EDADMP C[C@@H](CNC(=O)COC1CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000423340810 446496366 /nfs/dbraw/zinc/49/63/66/446496366.db2.gz XKZIVAIIYATPCT-ZDUSSCGKSA-N 2 1 337.489 1.380 20 0 EDADMP C[C@@H](CNC(=O)COC1CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000423340810 446496369 /nfs/dbraw/zinc/49/63/69/446496369.db2.gz XKZIVAIIYATPCT-ZDUSSCGKSA-N 2 1 337.489 1.380 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCS(=O)(=O)N(C)C)CC1 ZINC000367061531 446495707 /nfs/dbraw/zinc/49/57/07/446495707.db2.gz HAWSEODCTOISTB-INIZCTEOSA-N 2 1 345.553 1.854 20 0 EDADMP CN(Cc1cccs1)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334426 446504378 /nfs/dbraw/zinc/50/43/78/446504378.db2.gz UKTFJDYBIJASDK-CQSZACIVSA-N 2 1 337.489 1.394 20 0 EDADMP CN(Cc1cccs1)C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334426 446504384 /nfs/dbraw/zinc/50/43/84/446504384.db2.gz UKTFJDYBIJASDK-CQSZACIVSA-N 2 1 337.489 1.394 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423370180 446505135 /nfs/dbraw/zinc/50/51/35/446505135.db2.gz UHPSMQNSIXQYMK-PMPSAXMXSA-N 2 1 347.507 1.737 20 0 EDADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000420339443 446510456 /nfs/dbraw/zinc/51/04/56/446510456.db2.gz YZKWMMTYASJRCF-NVXWUHKLSA-N 2 1 331.460 1.551 20 0 EDADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000420339443 446510461 /nfs/dbraw/zinc/51/04/61/446510461.db2.gz YZKWMMTYASJRCF-NVXWUHKLSA-N 2 1 331.460 1.551 20 0 EDADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000420340666 446511378 /nfs/dbraw/zinc/51/13/78/446511378.db2.gz NCWLDGKXUBSEIV-HUUCEWRRSA-N 2 1 347.459 1.964 20 0 EDADMP C[N@@H+]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c2ccccc2C1 ZINC000423384546 446512309 /nfs/dbraw/zinc/51/23/09/446512309.db2.gz QCWNFJSUUQYXLH-KRWDZBQOSA-N 2 1 339.443 1.900 20 0 EDADMP C[N@H+]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c2ccccc2C1 ZINC000423384546 446512314 /nfs/dbraw/zinc/51/23/14/446512314.db2.gz QCWNFJSUUQYXLH-KRWDZBQOSA-N 2 1 339.443 1.900 20 0 EDADMP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420340273 446512427 /nfs/dbraw/zinc/51/24/27/446512427.db2.gz ZUMHYLWCUVONSL-GOEBONIOSA-N 2 1 349.450 1.518 20 0 EDADMP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420340273 446512434 /nfs/dbraw/zinc/51/24/34/446512434.db2.gz ZUMHYLWCUVONSL-GOEBONIOSA-N 2 1 349.450 1.518 20 0 EDADMP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420343143 446515012 /nfs/dbraw/zinc/51/50/12/446515012.db2.gz REKRZDSVFQAREL-OKILXGFUSA-N 2 1 333.432 1.532 20 0 EDADMP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC[NH2+]C ZINC000418317772 446497000 /nfs/dbraw/zinc/49/70/00/446497000.db2.gz BCAMVWVXATZILF-CRAIPNDOSA-N 2 1 347.507 1.851 20 0 EDADMP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC[NH2+]C ZINC000418317772 446497009 /nfs/dbraw/zinc/49/70/09/446497009.db2.gz BCAMVWVXATZILF-CRAIPNDOSA-N 2 1 347.507 1.851 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)NCCC[NH2+]Cc3cccnc3)[C@H]2C1 ZINC000418324002 446499382 /nfs/dbraw/zinc/49/93/82/446499382.db2.gz GKWBJVFIYNWTHJ-IRXDYDNUSA-N 2 1 331.464 1.297 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)[N@@H+](C)C1 ZINC000418480084 446559716 /nfs/dbraw/zinc/55/97/16/446559716.db2.gz CDWYSBSIMRGVJT-COXVUDFISA-N 2 1 334.464 1.567 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@H]3C[NH3+])CC2)c1 ZINC000418484026 446561495 /nfs/dbraw/zinc/56/14/95/446561495.db2.gz ZPLHRUSNVUHPHE-ROUUACIJSA-N 2 1 330.476 1.950 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@H](C)[NH3+] ZINC000423418860 446526764 /nfs/dbraw/zinc/52/67/64/446526764.db2.gz IGUJOBUOBVLJLF-SOLBZPMBSA-N 2 1 347.507 1.328 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000423427654 446533009 /nfs/dbraw/zinc/53/30/09/446533009.db2.gz JGYNTXXBOWYABX-BBRMVZONSA-N 2 1 349.431 1.236 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000423427654 446533016 /nfs/dbraw/zinc/53/30/16/446533016.db2.gz JGYNTXXBOWYABX-BBRMVZONSA-N 2 1 349.431 1.236 20 0 EDADMP C[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000433169378 446542350 /nfs/dbraw/zinc/54/23/50/446542350.db2.gz QYRYMJGWXYLKPM-QGZVFWFLSA-N 3 1 346.519 1.826 20 0 EDADMP C[C@H](CNC(=O)CCCN1CCC([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000433169378 446542361 /nfs/dbraw/zinc/54/23/61/446542361.db2.gz QYRYMJGWXYLKPM-QGZVFWFLSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@H](CNC(=O)CCCN1CCC([NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000433169378 446542372 /nfs/dbraw/zinc/54/23/72/446542372.db2.gz QYRYMJGWXYLKPM-QGZVFWFLSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@@H](CCCc1cccnc1)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000453092353 446543549 /nfs/dbraw/zinc/54/35/49/446543549.db2.gz DKCAVBFMDWBUQP-FUHWJXTLSA-N 2 1 332.492 1.970 20 0 EDADMP CS(=O)(=O)c1ccc2c(c1)CC[N@H+](CCC1CC[NH2+]CC1)CC2 ZINC000420366636 446546773 /nfs/dbraw/zinc/54/67/73/446546773.db2.gz GJASCJVEHYBGNA-UHFFFAOYSA-N 2 1 336.501 1.880 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418604698 446611891 /nfs/dbraw/zinc/61/18/91/446611891.db2.gz YALSUTSGXGXPBH-ZACQAIPSSA-N 3 1 339.528 1.042 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418622656 446620148 /nfs/dbraw/zinc/62/01/48/446620148.db2.gz NJOJAZYADFDXDQ-INIZCTEOSA-N 2 1 327.517 1.029 20 0 EDADMP CN(CCCN(C)C(=O)N[C@@H](C[NH3+])C1CCCC1)CC[NH+](C)C ZINC000418622656 446620153 /nfs/dbraw/zinc/62/01/53/446620153.db2.gz NJOJAZYADFDXDQ-INIZCTEOSA-N 2 1 327.517 1.029 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418503477 446570469 /nfs/dbraw/zinc/57/04/69/446570469.db2.gz XVLZFHAPJMTMAU-ZWKOTPCHSA-N 2 1 345.491 1.815 20 0 EDADMP O=C1N[C@H]2C[N@@H+](CCCc3ccsc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420397247 446571840 /nfs/dbraw/zinc/57/18/40/446571840.db2.gz FKGOKZYQGUOWLA-IRXDYDNUSA-N 2 1 348.516 1.901 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420404995 446578115 /nfs/dbraw/zinc/57/81/15/446578115.db2.gz MPHLCHKRILVKLW-MGPQQGTHSA-N 2 1 339.430 1.929 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420404995 446578120 /nfs/dbraw/zinc/57/81/20/446578120.db2.gz MPHLCHKRILVKLW-MGPQQGTHSA-N 2 1 339.430 1.929 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C[C@@H]1C[NH3+] ZINC000420407314 446579893 /nfs/dbraw/zinc/57/98/93/446579893.db2.gz OKOJFIIXUIZQAZ-HFTRVMKXSA-N 2 1 349.450 1.642 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C[C@@H]1C[NH3+] ZINC000420407314 446579898 /nfs/dbraw/zinc/57/98/98/446579898.db2.gz OKOJFIIXUIZQAZ-HFTRVMKXSA-N 2 1 349.450 1.642 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000418528990 446581241 /nfs/dbraw/zinc/58/12/41/446581241.db2.gz WNHNWGNPURDAOK-UHFFFAOYSA-N 2 1 326.391 1.498 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000418528990 446581248 /nfs/dbraw/zinc/58/12/48/446581248.db2.gz WNHNWGNPURDAOK-UHFFFAOYSA-N 2 1 326.391 1.498 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418549847 446589563 /nfs/dbraw/zinc/58/95/63/446589563.db2.gz GACKOQPDQRXRTJ-OQIJWPOYSA-N 2 1 342.487 1.900 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418586628 446603541 /nfs/dbraw/zinc/60/35/41/446603541.db2.gz QKLIPLDZQHZCOK-IXDOHACOSA-N 2 1 337.512 1.068 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C[C@H]1C ZINC000418657382 446637458 /nfs/dbraw/zinc/63/74/58/446637458.db2.gz HLJIVSPDOKKPNZ-SOLBZPMBSA-N 2 1 348.491 1.563 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C[C@@H]1C ZINC000434356779 446640351 /nfs/dbraw/zinc/64/03/51/446640351.db2.gz YKGMNWUWNIPTOA-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C[C@@H]1C ZINC000434356779 446640359 /nfs/dbraw/zinc/64/03/59/446640359.db2.gz YKGMNWUWNIPTOA-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C[C@@H]1C ZINC000434356779 446640367 /nfs/dbraw/zinc/64/03/67/446640367.db2.gz YKGMNWUWNIPTOA-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C[C@@H]1C ZINC000434356779 446640374 /nfs/dbraw/zinc/64/03/74/446640374.db2.gz YKGMNWUWNIPTOA-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)CCCC[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000418671993 446644385 /nfs/dbraw/zinc/64/43/85/446644385.db2.gz LQTVDJBUHNOARJ-BZUAXINKSA-N 2 1 326.485 1.256 20 0 EDADMP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000368145132 446667475 /nfs/dbraw/zinc/66/74/75/446667475.db2.gz YPLJWJVOJSOKTN-IRXDYDNUSA-N 2 1 329.444 1.146 20 0 EDADMP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000368145132 446667477 /nfs/dbraw/zinc/66/74/77/446667477.db2.gz YPLJWJVOJSOKTN-IRXDYDNUSA-N 2 1 329.444 1.146 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCN1CCCOCC1 ZINC000368042756 446621190 /nfs/dbraw/zinc/62/11/90/446621190.db2.gz OGPKNZXHAYVYPQ-SQNIBIBYSA-N 2 1 325.497 1.188 20 0 EDADMP C[C@@H](O)CC[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000411607453 446624585 /nfs/dbraw/zinc/62/45/85/446624585.db2.gz DDODBCVPEBEQGZ-RDBSUJKOSA-N 2 1 325.432 1.162 20 0 EDADMP C[C@@H](O)CC[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000411607453 446624589 /nfs/dbraw/zinc/62/45/89/446624589.db2.gz DDODBCVPEBEQGZ-RDBSUJKOSA-N 2 1 325.432 1.162 20 0 EDADMP COCC1(CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC[NH2+]CC1 ZINC000418650644 446633471 /nfs/dbraw/zinc/63/34/71/446633471.db2.gz WPLUOEUIHSIBBL-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)cn1 ZINC000423762041 446691374 /nfs/dbraw/zinc/69/13/74/446691374.db2.gz RVSYAIYBJWEOMN-MJGOQNOKSA-N 2 1 345.491 1.327 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)cn1 ZINC000423762041 446691381 /nfs/dbraw/zinc/69/13/81/446691381.db2.gz RVSYAIYBJWEOMN-MJGOQNOKSA-N 2 1 345.491 1.327 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CC2)cn1 ZINC000423764017 446693048 /nfs/dbraw/zinc/69/30/48/446693048.db2.gz VGQQGYXLNQXFMJ-QZTJIDSGSA-N 2 1 347.507 1.752 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CC2)cn1 ZINC000423764017 446693052 /nfs/dbraw/zinc/69/30/52/446693052.db2.gz VGQQGYXLNQXFMJ-QZTJIDSGSA-N 2 1 347.507 1.752 20 0 EDADMP CC[C@H]1CN(C(=O)[C@H]([NH3+])C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000423818503 446708386 /nfs/dbraw/zinc/70/83/86/446708386.db2.gz DOZKFGCPKHKDEW-RBUKOAKNSA-N 2 1 345.487 1.863 20 0 EDADMP CC[C@H]1CN(C(=O)[C@H]([NH3+])C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000423818503 446708391 /nfs/dbraw/zinc/70/83/91/446708391.db2.gz DOZKFGCPKHKDEW-RBUKOAKNSA-N 2 1 345.487 1.863 20 0 EDADMP O=C(NC1C[NH2+]C1)C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000376790616 446719931 /nfs/dbraw/zinc/71/99/31/446719931.db2.gz GUULKMIUMZVMKM-UHFFFAOYSA-N 2 1 340.427 1.642 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000418874091 446765904 /nfs/dbraw/zinc/76/59/04/446765904.db2.gz ZBBJFEHXAUGAQD-HUUCEWRRSA-N 2 1 340.512 1.117 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CCC[N@H+]1C ZINC000423932226 446784083 /nfs/dbraw/zinc/78/40/83/446784083.db2.gz NSGXMCPGBVAPQN-IUVQAAGXSA-N 2 1 347.507 1.827 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423933790 446785047 /nfs/dbraw/zinc/78/50/47/446785047.db2.gz SRDHEHCWYPYNLB-LNLFQRSKSA-N 2 1 331.460 1.707 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423933790 446785053 /nfs/dbraw/zinc/78/50/53/446785053.db2.gz SRDHEHCWYPYNLB-LNLFQRSKSA-N 2 1 331.460 1.707 20 0 EDADMP CN(C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H](C[NH3+])C1CC1 ZINC000423950879 446794704 /nfs/dbraw/zinc/79/47/04/446794704.db2.gz OMXXMNYYYHFNJG-ROUUACIJSA-N 2 1 331.460 1.473 20 0 EDADMP CN(C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H](C[NH3+])C1CC1 ZINC000423950879 446794709 /nfs/dbraw/zinc/79/47/09/446794709.db2.gz OMXXMNYYYHFNJG-ROUUACIJSA-N 2 1 331.460 1.473 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(N3CCOCC3)CCCOC2)[C@@H](C)C1 ZINC000371285697 446743458 /nfs/dbraw/zinc/74/34/58/446743458.db2.gz VQBXTVSAWXCLDM-BZSNNMDCSA-N 2 1 325.497 1.188 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000420835561 446849937 /nfs/dbraw/zinc/84/99/37/446849937.db2.gz GMTNXLPMCSAEGO-INIZCTEOSA-N 2 1 349.479 1.258 20 0 EDADMP CC(C)(C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424039646 446828248 /nfs/dbraw/zinc/82/82/48/446828248.db2.gz OWVCFGUZANXMMR-MRXNPFEDSA-N 2 1 332.492 1.470 20 0 EDADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(Cc2ccccn2)CC1 ZINC000368389322 446831704 /nfs/dbraw/zinc/83/17/04/446831704.db2.gz HHHIEYTWYSXSTK-FUHWJXTLSA-N 2 1 343.475 1.536 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424154053 446859833 /nfs/dbraw/zinc/85/98/33/446859833.db2.gz KZLJTIJHOIJIMJ-QKPAOTATSA-N 2 1 348.495 1.299 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424154047 446860069 /nfs/dbraw/zinc/86/00/69/446860069.db2.gz KZLJTIJHOIJIMJ-FZKCQIBNSA-N 2 1 348.495 1.299 20 0 EDADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000419004217 446860923 /nfs/dbraw/zinc/86/09/23/446860923.db2.gz QTBWAZJYOWYJIY-UHFFFAOYSA-N 2 1 348.491 1.068 20 0 EDADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1(C)C ZINC000424215424 446863974 /nfs/dbraw/zinc/86/39/74/446863974.db2.gz GDKZSGYFPKIBDV-KBXCAEBGSA-N 2 1 341.496 1.088 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419023473 446870662 /nfs/dbraw/zinc/87/06/62/446870662.db2.gz JPDIYXWSKDDTGQ-OAGGEKHMSA-N 2 1 340.512 1.055 20 0 EDADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000419042690 446881757 /nfs/dbraw/zinc/88/17/57/446881757.db2.gz HYIZQZVUTYYQJE-WBVHZDCISA-N 2 1 346.475 1.006 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc1 ZINC000419045286 446882266 /nfs/dbraw/zinc/88/22/66/446882266.db2.gz VWKYNRTWEXYAIH-QWHCGFSZSA-N 2 1 343.431 1.164 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCC[N@H+]1C ZINC000412254830 446911454 /nfs/dbraw/zinc/91/14/54/446911454.db2.gz YRHKHUIUCDRNPO-FVQBIDKESA-N 2 1 325.522 1.803 20 0 EDADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1(CCO)CCOCC1 ZINC000420938705 446912448 /nfs/dbraw/zinc/91/24/48/446912448.db2.gz MXIHRGYSPDDLSG-UHFFFAOYSA-N 2 1 348.487 1.882 20 0 EDADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1(CCO)CCOCC1 ZINC000420938705 446912457 /nfs/dbraw/zinc/91/24/57/446912457.db2.gz MXIHRGYSPDDLSG-UHFFFAOYSA-N 2 1 348.487 1.882 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000375634262 446939981 /nfs/dbraw/zinc/93/99/81/446939981.db2.gz HIRRKARDPHQBKY-VYIWNADRSA-N 2 1 335.492 1.382 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000442767016 446959917 /nfs/dbraw/zinc/95/99/17/446959917.db2.gz LWGMZANOPIXPOG-APWZRJJASA-N 3 1 344.503 1.568 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000442767016 446959922 /nfs/dbraw/zinc/95/99/22/446959922.db2.gz LWGMZANOPIXPOG-APWZRJJASA-N 3 1 344.503 1.568 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000419148665 446964902 /nfs/dbraw/zinc/96/49/02/446964902.db2.gz DMNKDHNQHGFOBH-OAGGEKHMSA-N 2 1 338.496 1.001 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000442786145 446966926 /nfs/dbraw/zinc/96/69/26/446966926.db2.gz VCHRPCHSCBRADY-CRAIPNDOSA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000442786145 446966932 /nfs/dbraw/zinc/96/69/32/446966932.db2.gz VCHRPCHSCBRADY-CRAIPNDOSA-N 2 1 333.476 1.897 20 0 EDADMP CN1Cc2ccccc2[C@@H](Nc2ccnc(N3CCOCC3)n2)C1 ZINC000371983491 446980317 /nfs/dbraw/zinc/98/03/17/446980317.db2.gz HBTVODQGLIKCNI-INIZCTEOSA-N 2 1 325.416 1.912 20 0 EDADMP COc1cc2[nH+]ccc(N3CC[N@@H+](CCO)C[C@H]3C)c2cc1OC ZINC000413314956 447135412 /nfs/dbraw/zinc/13/54/12/447135412.db2.gz JNCGRRHBRAWKJL-CYBMUJFWSA-N 2 1 331.416 1.755 20 0 EDADMP CC1(C)CCC[N@@H+](CCNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000444846294 447143508 /nfs/dbraw/zinc/14/35/08/447143508.db2.gz HSTAZOKBYBDDSY-UHFFFAOYSA-N 2 1 340.512 1.520 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000413329892 447144749 /nfs/dbraw/zinc/14/47/49/447144749.db2.gz AAPZUUPFOKUEOL-MRXNPFEDSA-N 2 1 326.485 1.269 20 0 EDADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000419402271 447152576 /nfs/dbraw/zinc/15/25/76/447152576.db2.gz CBIANSPPMFWZNZ-UHFFFAOYSA-N 2 1 340.512 1.201 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CCCn2ccnc2)s1 ZINC000425415780 447154674 /nfs/dbraw/zinc/15/46/74/447154674.db2.gz FSQSDKLRMDJOGH-UHFFFAOYSA-N 2 1 342.490 1.717 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)CCCn2ccnc2)s1 ZINC000425415780 447154682 /nfs/dbraw/zinc/15/46/82/447154682.db2.gz FSQSDKLRMDJOGH-UHFFFAOYSA-N 2 1 342.490 1.717 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000419407157 447156468 /nfs/dbraw/zinc/15/64/68/447156468.db2.gz JRKOXAQGAFCJFH-HUUCEWRRSA-N 2 1 346.475 1.171 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419480241 447211670 /nfs/dbraw/zinc/21/16/70/447211670.db2.gz MYUMAJUNRIUVTH-OWCLPIDISA-N 2 1 338.496 1.143 20 0 EDADMP CN1CCc2ncnc(NC[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)c2C1 ZINC000372595823 447171663 /nfs/dbraw/zinc/17/16/63/447171663.db2.gz UFKYJODMTPDFCS-YJBOKZPZSA-N 2 1 338.459 1.964 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)=O)o1 ZINC000446089539 447231240 /nfs/dbraw/zinc/23/12/40/447231240.db2.gz JERNSSLENIINFC-OAHLLOKOSA-N 2 1 335.448 1.970 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)CC1 ZINC000377681711 447291322 /nfs/dbraw/zinc/29/13/22/447291322.db2.gz RFMGWLSWASKRAJ-FQEVSTJZSA-N 2 1 343.471 1.620 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)CC1 ZINC000377681711 447291324 /nfs/dbraw/zinc/29/13/24/447291324.db2.gz RFMGWLSWASKRAJ-FQEVSTJZSA-N 2 1 343.471 1.620 20 0 EDADMP CO[C@H](C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000379247373 447451573 /nfs/dbraw/zinc/45/15/73/447451573.db2.gz ZIJRXBPZPMXNRK-BHIYHBOVSA-N 2 1 345.487 1.954 20 0 EDADMP O=C(C[NH2+]CC1CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390955953 447508499 /nfs/dbraw/zinc/50/84/99/447508499.db2.gz YOJHGFWQOONUTR-GOSISDBHSA-N 2 1 331.460 1.393 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000458759163 447473320 /nfs/dbraw/zinc/47/33/20/447473320.db2.gz CTGVRXAJLLXXGZ-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458759163 447473326 /nfs/dbraw/zinc/47/33/26/447473326.db2.gz CTGVRXAJLLXXGZ-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000458759163 447473331 /nfs/dbraw/zinc/47/33/31/447473331.db2.gz CTGVRXAJLLXXGZ-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000457538401 447591615 /nfs/dbraw/zinc/59/16/15/447591615.db2.gz ZFQGMSUJAIHXAL-MRXNPFEDSA-N 2 1 326.485 1.008 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000457515697 447584334 /nfs/dbraw/zinc/58/43/34/447584334.db2.gz CLBRTKLZDNWNPS-NXOAAHMSSA-N 2 1 335.492 1.476 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000398028100 447554397 /nfs/dbraw/zinc/55/43/97/447554397.db2.gz MMDJFDGTMJZSAK-SXLOBPIMSA-N 2 1 349.519 1.426 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398028100 447554404 /nfs/dbraw/zinc/55/44/04/447554404.db2.gz MMDJFDGTMJZSAK-SXLOBPIMSA-N 2 1 349.519 1.426 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398028100 447554411 /nfs/dbraw/zinc/55/44/11/447554411.db2.gz MMDJFDGTMJZSAK-SXLOBPIMSA-N 2 1 349.519 1.426 20 0 EDADMP C[C@H]1NC(=O)N(CC[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000459349723 447641662 /nfs/dbraw/zinc/64/16/62/447641662.db2.gz FPRCUROPUBUIBM-NVXWUHKLSA-N 2 1 344.459 1.381 20 0 EDADMP C[C@H]1NC(=O)N(CC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000459349723 447641681 /nfs/dbraw/zinc/64/16/81/447641681.db2.gz FPRCUROPUBUIBM-NVXWUHKLSA-N 2 1 344.459 1.381 20 0 EDADMP C[C@H]1NC(=O)N(CC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000459349723 447641685 /nfs/dbraw/zinc/64/16/85/447641685.db2.gz FPRCUROPUBUIBM-NVXWUHKLSA-N 2 1 344.459 1.381 20 0 EDADMP C[C@H]1NC(=O)N(CC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000459349723 447641692 /nfs/dbraw/zinc/64/16/92/447641692.db2.gz FPRCUROPUBUIBM-NVXWUHKLSA-N 2 1 344.459 1.381 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1CCC[C@H](C)C1 ZINC000457692413 447620012 /nfs/dbraw/zinc/62/00/12/447620012.db2.gz NPOBCOTVPOTENS-LUKYLMHMSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000457692413 447620015 /nfs/dbraw/zinc/62/00/15/447620015.db2.gz NPOBCOTVPOTENS-LUKYLMHMSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000457692413 447620017 /nfs/dbraw/zinc/62/00/17/447620017.db2.gz NPOBCOTVPOTENS-LUKYLMHMSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000420135179 447626785 /nfs/dbraw/zinc/62/67/85/447626785.db2.gz UPBWHMYFAIRYQM-YOEHRIQHSA-N 2 1 344.459 1.019 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000420135179 447626791 /nfs/dbraw/zinc/62/67/91/447626791.db2.gz UPBWHMYFAIRYQM-YOEHRIQHSA-N 2 1 344.459 1.019 20 0 EDADMP CC(=O)NC1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000427694217 447634248 /nfs/dbraw/zinc/63/42/48/447634248.db2.gz BZOPSKMKFCHFPD-SOAGJPPSSA-N 2 1 345.487 1.660 20 0 EDADMP CC(=O)NC1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000427694217 447634251 /nfs/dbraw/zinc/63/42/51/447634251.db2.gz BZOPSKMKFCHFPD-SOAGJPPSSA-N 2 1 345.487 1.660 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495908812 447635285 /nfs/dbraw/zinc/63/52/85/447635285.db2.gz FLHAJTWWIYWEBF-HOTGVXAUSA-N 2 1 343.512 1.878 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495908812 447635298 /nfs/dbraw/zinc/63/52/98/447635298.db2.gz FLHAJTWWIYWEBF-HOTGVXAUSA-N 2 1 343.512 1.878 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495908812 447635302 /nfs/dbraw/zinc/63/53/02/447635302.db2.gz FLHAJTWWIYWEBF-HOTGVXAUSA-N 2 1 343.512 1.878 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000416828814 447693407 /nfs/dbraw/zinc/69/34/07/447693407.db2.gz FBPFNXULNHRATB-DZKIICNBSA-N 2 1 334.464 1.725 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000416839218 447694012 /nfs/dbraw/zinc/69/40/12/447694012.db2.gz JTCFMDUPVDGJON-VQIMIIECSA-N 2 1 348.491 1.987 20 0 EDADMP CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(N2CCC(C[NH3+])CC2)n1 ZINC000420194132 447664791 /nfs/dbraw/zinc/66/47/91/447664791.db2.gz ZUEWEAVDOACAIL-NVXWUHKLSA-N 2 1 333.480 2.267 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCC2(CC[NH2+]2)CC1)Cc1ccc(F)cc1 ZINC000422603449 447665551 /nfs/dbraw/zinc/66/55/51/447665551.db2.gz LIXDEIVALFDCSJ-UHFFFAOYSA-N 2 1 334.439 1.795 20 0 EDADMP COc1cc2[nH+]c(N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)nc(N)c2cc1OC ZINC000420225964 447678220 /nfs/dbraw/zinc/67/82/20/447678220.db2.gz FUUMFTSVLSCNCO-WCFLWFBJSA-N 2 1 343.431 1.793 20 0 EDADMP COCc1cccc(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422633035 447680124 /nfs/dbraw/zinc/68/01/24/447680124.db2.gz HVDPAVNHISWCDI-VKJFTORMSA-N 2 1 333.476 1.754 20 0 EDADMP COCc1cccc(CNC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422633035 447680127 /nfs/dbraw/zinc/68/01/27/447680127.db2.gz HVDPAVNHISWCDI-VKJFTORMSA-N 2 1 333.476 1.754 20 0 EDADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495968326 447682278 /nfs/dbraw/zinc/68/22/78/447682278.db2.gz HZBCHMPEQTZUJK-RVKKMQEKSA-N 2 1 341.496 1.821 20 0 EDADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495968326 447682281 /nfs/dbraw/zinc/68/22/81/447682281.db2.gz HZBCHMPEQTZUJK-RVKKMQEKSA-N 2 1 341.496 1.821 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C[C@@H]1C[NH3+] ZINC000422636964 447682716 /nfs/dbraw/zinc/68/27/16/447682716.db2.gz NWMRJDGDFBAREQ-YQFWSFKMSA-N 2 1 331.460 1.412 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C[C@@H]1C[NH3+] ZINC000422636964 447682722 /nfs/dbraw/zinc/68/27/22/447682722.db2.gz NWMRJDGDFBAREQ-YQFWSFKMSA-N 2 1 331.460 1.412 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000410081956 447686743 /nfs/dbraw/zinc/68/67/43/447686743.db2.gz JXQQQNGPGUNOAN-LZLYRXPVSA-N 2 1 325.412 1.648 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCC(C)CC1 ZINC000458048771 447708528 /nfs/dbraw/zinc/70/85/28/447708528.db2.gz OSISOZAZXKIDGT-IRXDYDNUSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416922307 447710138 /nfs/dbraw/zinc/71/01/38/447710138.db2.gz OVDWKMZNNKOZHC-QLFBSQMISA-N 2 1 326.485 1.268 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416922307 447710143 /nfs/dbraw/zinc/71/01/43/447710143.db2.gz OVDWKMZNNKOZHC-QLFBSQMISA-N 2 1 326.485 1.268 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000416935877 447714576 /nfs/dbraw/zinc/71/45/76/447714576.db2.gz HCZPGRQVXGOAOE-SJORKVTESA-N 2 1 340.512 1.550 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000417108682 447734915 /nfs/dbraw/zinc/73/49/15/447734915.db2.gz JOQUMEZFFGGDPN-VNHYZAJKSA-N 2 1 336.505 1.934 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000417108682 447734918 /nfs/dbraw/zinc/73/49/18/447734918.db2.gz JOQUMEZFFGGDPN-VNHYZAJKSA-N 2 1 336.505 1.934 20 0 EDADMP COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000429428720 447748551 /nfs/dbraw/zinc/74/85/51/447748551.db2.gz USULHSCXRDKXCI-WMLDXEAASA-N 2 1 340.489 1.537 20 0 EDADMP COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000429428720 447748553 /nfs/dbraw/zinc/74/85/53/447748553.db2.gz USULHSCXRDKXCI-WMLDXEAASA-N 2 1 340.489 1.537 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000422825045 447760184 /nfs/dbraw/zinc/76/01/84/447760184.db2.gz PAFNUTBARFGNMI-KBAYOESNSA-N 2 1 333.476 1.780 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422825045 447760190 /nfs/dbraw/zinc/76/01/90/447760190.db2.gz PAFNUTBARFGNMI-KBAYOESNSA-N 2 1 333.476 1.780 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000416921195 447709913 /nfs/dbraw/zinc/70/99/13/447709913.db2.gz NAPUITQSMXHNCB-ZNMIVQPWSA-N 2 1 326.485 1.397 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000416921195 447709917 /nfs/dbraw/zinc/70/99/17/447709917.db2.gz NAPUITQSMXHNCB-ZNMIVQPWSA-N 2 1 326.485 1.397 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@H]1CCC[NH+](CCCO)C1)C1CCCC1 ZINC000458335734 447772755 /nfs/dbraw/zinc/77/27/55/447772755.db2.gz LGSSONOPFUJRMO-HNNXBMFYSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)C1CCCC1 ZINC000458335734 447772760 /nfs/dbraw/zinc/77/27/60/447772760.db2.gz LGSSONOPFUJRMO-HNNXBMFYSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)C1CCCC1 ZINC000458335734 447772764 /nfs/dbraw/zinc/77/27/64/447772764.db2.gz LGSSONOPFUJRMO-HNNXBMFYSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000458340139 447773057 /nfs/dbraw/zinc/77/30/57/447773057.db2.gz JXBMHEZRNFZUIG-BBWFWOEESA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458340139 447773059 /nfs/dbraw/zinc/77/30/59/447773059.db2.gz JXBMHEZRNFZUIG-BBWFWOEESA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458340139 447773061 /nfs/dbraw/zinc/77/30/61/447773061.db2.gz JXBMHEZRNFZUIG-BBWFWOEESA-N 2 1 340.512 1.395 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422939592 447776451 /nfs/dbraw/zinc/77/64/51/447776451.db2.gz MEPXKHMLWSCZJW-HZPDHXFCSA-N 2 1 325.478 1.687 20 0 EDADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000430564277 447779668 /nfs/dbraw/zinc/77/96/68/447779668.db2.gz LESGXNLTFXQKRE-UHFFFAOYSA-N 2 1 346.475 1.648 20 0 EDADMP CC[C@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422963540 447782397 /nfs/dbraw/zinc/78/23/97/447782397.db2.gz GFNORDDHXXBFIC-SLFFLAALSA-N 2 1 331.504 1.916 20 0 EDADMP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000423033500 447795491 /nfs/dbraw/zinc/79/54/91/447795491.db2.gz OMQPWVJTFNRXEQ-MNEFBYGVSA-N 2 1 333.476 1.110 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCOCC[NH+](C)C)C1 ZINC000471637484 447806203 /nfs/dbraw/zinc/80/62/03/447806203.db2.gz WQUUJEDEJSWFQT-SJLPKXTDSA-N 2 1 348.491 1.699 20 0 EDADMP CNC(=O)COc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423111885 447807911 /nfs/dbraw/zinc/80/79/11/447807911.db2.gz REKMHARKPIETHT-DNVCBOLYSA-N 2 1 341.455 1.860 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)c2ccccc2C[NH+](C)C)CCCO1 ZINC000487645272 447835690 /nfs/dbraw/zinc/83/56/90/447835690.db2.gz WCACJUZSOXYFEZ-INIZCTEOSA-N 2 1 333.476 1.979 20 0 EDADMP Cn1ncc(Br)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000487308241 447829136 /nfs/dbraw/zinc/82/91/36/447829136.db2.gz STWDHNNEPWONLV-LBPRGKRZSA-N 2 1 345.285 1.509 20 0 EDADMP C[N@H+](Cc1cccc2nccn21)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000497119864 447868923 /nfs/dbraw/zinc/86/89/23/447868923.db2.gz NDNSOFFFPAATHH-AWEZNQCLSA-N 2 1 334.420 1.652 20 0 EDADMP CN(Cc1cccc2nccn21)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000497119864 447868927 /nfs/dbraw/zinc/86/89/27/447868927.db2.gz NDNSOFFFPAATHH-AWEZNQCLSA-N 2 1 334.420 1.652 20 0 EDADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCN(S(C)(=O)=O)CC1 ZINC000575874868 447918855 /nfs/dbraw/zinc/91/88/55/447918855.db2.gz KSRCTDCMJZMZRP-UHFFFAOYSA-N 2 1 337.489 1.188 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000530814456 447963807 /nfs/dbraw/zinc/96/38/07/447963807.db2.gz GBFBKKIVVGQGAJ-HKUYNNGSSA-N 2 1 331.460 1.224 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530814456 447963809 /nfs/dbraw/zinc/96/38/09/447963809.db2.gz GBFBKKIVVGQGAJ-HKUYNNGSSA-N 2 1 331.460 1.224 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530814456 447963812 /nfs/dbraw/zinc/96/38/12/447963812.db2.gz GBFBKKIVVGQGAJ-HKUYNNGSSA-N 2 1 331.460 1.224 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531303414 448059819 /nfs/dbraw/zinc/05/98/19/448059819.db2.gz HDJZPAKUXRLRBX-QKLQHJQFSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531303414 448059823 /nfs/dbraw/zinc/05/98/23/448059823.db2.gz HDJZPAKUXRLRBX-QKLQHJQFSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531303414 448059828 /nfs/dbraw/zinc/05/98/28/448059828.db2.gz HDJZPAKUXRLRBX-QKLQHJQFSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000576558643 448081530 /nfs/dbraw/zinc/08/15/30/448081530.db2.gz IJGUKPHOUDCVTC-MRXNPFEDSA-N 2 1 327.517 1.042 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000531482903 448091523 /nfs/dbraw/zinc/09/15/23/448091523.db2.gz QZYPUDWLBNSNIF-SYNHAJSKSA-N 2 1 343.471 1.365 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000531482903 448091531 /nfs/dbraw/zinc/09/15/31/448091531.db2.gz QZYPUDWLBNSNIF-SYNHAJSKSA-N 2 1 343.471 1.365 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000531482903 448091536 /nfs/dbraw/zinc/09/15/36/448091536.db2.gz QZYPUDWLBNSNIF-SYNHAJSKSA-N 2 1 343.471 1.365 20 0 EDADMP C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000576647850 448106463 /nfs/dbraw/zinc/10/64/63/448106463.db2.gz HFNINJUCKZDYSP-RHSMWYFYSA-N 2 1 337.533 1.971 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1=CC[NH2+]CC1 ZINC000571149345 448111055 /nfs/dbraw/zinc/11/10/55/448111055.db2.gz WCALBRNEGMACPX-QAPCUYQASA-N 2 1 328.460 1.726 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576466043 448063252 /nfs/dbraw/zinc/06/32/52/448063252.db2.gz MBVGLRKELYIIGT-LJQANCHMSA-N 2 1 327.428 1.748 20 0 EDADMP C[C@H](c1ccncc1)[NH+]1CCC(Nc2cc[nH+]cc2C(N)=O)CC1 ZINC000576817643 448146021 /nfs/dbraw/zinc/14/60/21/448146021.db2.gz QQYSDABFLZXEOO-CYBMUJFWSA-N 2 1 325.416 1.635 20 0 EDADMP C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cc[nH+]cc2C(N)=O)CC1 ZINC000576817644 448146543 /nfs/dbraw/zinc/14/65/43/448146543.db2.gz QQYSDABFLZXEOO-ZDUSSCGKSA-N 2 1 325.416 1.635 20 0 EDADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000571762239 448200990 /nfs/dbraw/zinc/20/09/90/448200990.db2.gz DSHVUNROMFNPNB-ROUUACIJSA-N 2 1 336.476 1.480 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000582409536 448228687 /nfs/dbraw/zinc/22/86/87/448228687.db2.gz PVTHRMMXWFWZKX-IXDOHACOSA-N 2 1 338.496 1.031 20 0 EDADMP COc1ccc([C@@H](CNC(=O)CC(F)(F)C[NH3+])[NH+]2CCCC2)cc1 ZINC000582427673 448236354 /nfs/dbraw/zinc/23/63/54/448236354.db2.gz LZAZGVFWXVMUDO-OAHLLOKOSA-N 2 1 341.402 1.932 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000571921097 448237389 /nfs/dbraw/zinc/23/73/89/448237389.db2.gz AFLYKZQTPMCGNM-DZGCQCFKSA-N 2 1 335.448 1.379 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000571921097 448237392 /nfs/dbraw/zinc/23/73/92/448237392.db2.gz AFLYKZQTPMCGNM-DZGCQCFKSA-N 2 1 335.448 1.379 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000532348307 448242450 /nfs/dbraw/zinc/24/24/50/448242450.db2.gz MKCBHBOELUYAOD-FUHWJXTLSA-N 2 1 349.523 1.033 20 0 EDADMP CCC(=O)N1CC[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000532568345 448275546 /nfs/dbraw/zinc/27/55/46/448275546.db2.gz YKEBCEYQHOSRPV-CQSZACIVSA-N 2 1 345.447 1.030 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN(C)C3(C[NH3+])CCC3)CC2)c1 ZINC000515352747 448295866 /nfs/dbraw/zinc/29/58/66/448295866.db2.gz NVNGPTIQPUOCJU-UHFFFAOYSA-N 2 1 344.503 1.452 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000515664427 448342017 /nfs/dbraw/zinc/34/20/17/448342017.db2.gz AKABBRMGJWCIBM-INIZCTEOSA-N 2 1 345.487 1.660 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCCO[C@@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000582894670 448370677 /nfs/dbraw/zinc/37/06/77/448370677.db2.gz AMVVSVBHLBETGJ-NXHRZFHOSA-N 2 1 346.475 1.409 20 0 EDADMP COCC1(CNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC[NH2+]CC1 ZINC000577843194 448399054 /nfs/dbraw/zinc/39/90/54/448399054.db2.gz LNWQQYWPWNHNLK-HNNXBMFYSA-N 2 1 340.512 1.422 20 0 EDADMP C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000577866381 448406707 /nfs/dbraw/zinc/40/67/07/448406707.db2.gz LFSXHQRTVMNHLR-JQHSSLGASA-N 2 1 331.460 1.534 20 0 EDADMP C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000577866381 448406712 /nfs/dbraw/zinc/40/67/12/448406712.db2.gz LFSXHQRTVMNHLR-JQHSSLGASA-N 2 1 331.460 1.534 20 0 EDADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC1 ZINC000533272498 448381666 /nfs/dbraw/zinc/38/16/66/448381666.db2.gz CDZSTYDURXYBCP-UHFFFAOYSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC1 ZINC000533272498 448381668 /nfs/dbraw/zinc/38/16/68/448381668.db2.gz CDZSTYDURXYBCP-UHFFFAOYSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC3CC[NH2+]CC3)c2)CCO1 ZINC000577942126 448422370 /nfs/dbraw/zinc/42/23/70/448422370.db2.gz VGHOCRZNFAGFSB-HNNXBMFYSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC3CC[NH2+]CC3)c2)CCO1 ZINC000577942126 448422376 /nfs/dbraw/zinc/42/23/76/448422376.db2.gz VGHOCRZNFAGFSB-HNNXBMFYSA-N 2 1 346.475 1.459 20 0 EDADMP CC[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000516653499 448457828 /nfs/dbraw/zinc/45/78/28/448457828.db2.gz GEOFWGQJSFGHDY-MLYOOKFZSA-N 2 1 343.471 1.534 20 0 EDADMP CC[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000516653499 448457834 /nfs/dbraw/zinc/45/78/34/448457834.db2.gz GEOFWGQJSFGHDY-MLYOOKFZSA-N 2 1 343.471 1.534 20 0 EDADMP C[C@@H](Cn1cc(Br)ccc1=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000517326938 448571930 /nfs/dbraw/zinc/57/19/30/448571930.db2.gz YHTZXWURJUJUHE-STQMWFEESA-N 2 1 342.281 1.931 20 0 EDADMP C[C@@H](Cn1cc(Br)ccc1=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000517326938 448571935 /nfs/dbraw/zinc/57/19/35/448571935.db2.gz YHTZXWURJUJUHE-STQMWFEESA-N 2 1 342.281 1.931 20 0 EDADMP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)C2=O)n(C)n1 ZINC000517376083 448577299 /nfs/dbraw/zinc/57/72/99/448577299.db2.gz HIVYKGPSBAXNFS-OAGGEKHMSA-N 2 1 331.464 1.155 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000573111299 448546620 /nfs/dbraw/zinc/54/66/20/448546620.db2.gz QKJYANWTMXRYIJ-OALUTQOASA-N 2 1 347.503 1.512 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000573111299 448546626 /nfs/dbraw/zinc/54/66/26/448546626.db2.gz QKJYANWTMXRYIJ-OALUTQOASA-N 2 1 347.503 1.512 20 0 EDADMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000539920173 448624502 /nfs/dbraw/zinc/62/45/02/448624502.db2.gz FEUBECUCLIOFEW-QFBILLFUSA-N 2 1 347.503 1.642 20 0 EDADMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000539920173 448624507 /nfs/dbraw/zinc/62/45/07/448624507.db2.gz FEUBECUCLIOFEW-QFBILLFUSA-N 2 1 347.503 1.642 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000573485274 448638423 /nfs/dbraw/zinc/63/84/23/448638423.db2.gz KXUVRNLMDRKUCB-KSZLIROESA-N 2 1 328.460 1.362 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@@H]1C ZINC000567597711 448720509 /nfs/dbraw/zinc/72/05/09/448720509.db2.gz IURIPVJXLHJPKW-RYQLBKOJSA-N 2 1 346.475 1.104 20 0 EDADMP COCC[N@H+]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@@H]1C ZINC000567597711 448720512 /nfs/dbraw/zinc/72/05/12/448720512.db2.gz IURIPVJXLHJPKW-RYQLBKOJSA-N 2 1 346.475 1.104 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000567624547 448726104 /nfs/dbraw/zinc/72/61/04/448726104.db2.gz SBWSVFIFSSUSRB-UHFFFAOYSA-N 2 1 340.427 1.971 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000567624547 448726108 /nfs/dbraw/zinc/72/61/08/448726108.db2.gz SBWSVFIFSSUSRB-UHFFFAOYSA-N 2 1 340.427 1.971 20 0 EDADMP CCn1nc(C)cc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000585694012 448740212 /nfs/dbraw/zinc/74/02/12/448740212.db2.gz KSRJLWJMZKSAIZ-INIZCTEOSA-N 2 1 335.496 1.700 20 0 EDADMP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000579211941 448740818 /nfs/dbraw/zinc/74/08/18/448740818.db2.gz BPMFTVBQLMYXKV-SJORKVTESA-N 2 1 342.443 1.014 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000567714662 448746914 /nfs/dbraw/zinc/74/69/14/448746914.db2.gz NKFYXSBRALJGIM-HOTGVXAUSA-N 2 1 340.512 1.421 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000519271117 448756012 /nfs/dbraw/zinc/75/60/12/448756012.db2.gz VLHLOSXLOKXPRB-QZTJIDSGSA-N 2 1 328.460 1.600 20 0 EDADMP O=C([C@@H]1CCC[NH+](Cc2cccnc2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000519271117 448756016 /nfs/dbraw/zinc/75/60/16/448756016.db2.gz VLHLOSXLOKXPRB-QZTJIDSGSA-N 2 1 328.460 1.600 20 0 EDADMP O=C([C@@H]1CCC[NH+](Cc2cccnc2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000519271117 448756022 /nfs/dbraw/zinc/75/60/22/448756022.db2.gz VLHLOSXLOKXPRB-QZTJIDSGSA-N 2 1 328.460 1.600 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000529287754 448807607 /nfs/dbraw/zinc/80/76/07/448807607.db2.gz WMDJYXUWPIQJGJ-OAGGEKHMSA-N 2 1 340.512 1.514 20 0 EDADMP COc1ccc(NC(=O)CC[NH+]2CCC(CO)([NH2+]C(C)C)CC2)cc1 ZINC000574169662 448808531 /nfs/dbraw/zinc/80/85/31/448808531.db2.gz KGPROOYVSPBMHB-UHFFFAOYSA-N 2 1 349.475 1.849 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000529314006 448818833 /nfs/dbraw/zinc/81/88/33/448818833.db2.gz MGAVCGFQOAPDMU-NJAFHUGGSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000529319734 448820994 /nfs/dbraw/zinc/82/09/94/448820994.db2.gz CIRPICXJUXCENY-SZMVWBNQSA-N 2 1 346.475 1.185 20 0 EDADMP CNC(=O)C[NH+]1CCC(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000579596946 448830533 /nfs/dbraw/zinc/83/05/33/448830533.db2.gz RMWSUMQAMOTCQW-QGZVFWFLSA-N 2 1 346.475 1.039 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000529362671 448841039 /nfs/dbraw/zinc/84/10/39/448841039.db2.gz YGNMFFGQXYKZRG-HYVNUMGLSA-N 2 1 332.492 1.929 20 0 EDADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000529390389 448854498 /nfs/dbraw/zinc/85/44/98/448854498.db2.gz YOOHCHJXMJDOCC-CEXWTWQISA-N 2 1 347.503 1.573 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH2+]C3CC3)C2)cc(OC)c1 ZINC000568762711 448918051 /nfs/dbraw/zinc/91/80/51/448918051.db2.gz HIPGPYRNFHKMQS-MRXNPFEDSA-N 2 1 347.459 1.536 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)CC[NH2+]C3CC3)C2)cc(OC)c1 ZINC000568762711 448918054 /nfs/dbraw/zinc/91/80/54/448918054.db2.gz HIPGPYRNFHKMQS-MRXNPFEDSA-N 2 1 347.459 1.536 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000588816560 448933880 /nfs/dbraw/zinc/93/38/80/448933880.db2.gz YXBSLEYOYIJLBQ-HUUCEWRRSA-N 2 1 331.501 1.706 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H](C)[NH2+]C3CC3)CC2)oc1C ZINC000579828638 448888096 /nfs/dbraw/zinc/88/80/96/448888096.db2.gz HYNMGLCBVWMHJF-ZDUSSCGKSA-N 2 1 334.464 1.760 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1Br ZINC000574510652 448890014 /nfs/dbraw/zinc/89/00/14/448890014.db2.gz KFNFOBDIAUOQST-LLVKDONJSA-N 2 1 326.238 1.532 20 0 EDADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000582070925 449004072 /nfs/dbraw/zinc/00/40/72/449004072.db2.gz BMVNYNMHURGIFI-HNNXBMFYSA-N 2 1 344.463 1.508 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000569334475 449004818 /nfs/dbraw/zinc/00/48/18/449004818.db2.gz QJNBWTKIYLKUPC-HIFRSBDPSA-N 2 1 340.418 1.803 20 0 EDADMP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC(C)(C)C3)nc2)C1 ZINC000574925858 448992256 /nfs/dbraw/zinc/99/22/56/448992256.db2.gz NSMWADINUHYSKP-MRXNPFEDSA-N 2 1 345.491 1.892 20 0 EDADMP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C[N@H+]3CCC(C)(C)C3)nc2)C1 ZINC000574925858 448992263 /nfs/dbraw/zinc/99/22/63/448992263.db2.gz NSMWADINUHYSKP-MRXNPFEDSA-N 2 1 345.491 1.892 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592956247 449076593 /nfs/dbraw/zinc/07/65/93/449076593.db2.gz FQOCXHFNAPGCEO-CABCVRRESA-N 2 1 347.507 1.960 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000582260952 449050522 /nfs/dbraw/zinc/05/05/22/449050522.db2.gz SZRPYWVWOKCVOU-MSOLQXFVSA-N 2 1 330.476 1.846 20 0 EDADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCN(C3CCCCC3)C2=O)CC12CCOCC2 ZINC000530225662 449088486 /nfs/dbraw/zinc/08/84/86/449088486.db2.gz VGHODLRYQAFGJI-RDJZCZTQSA-N 2 1 335.492 1.607 20 0 EDADMP c1c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nnn1-c1ccccc1 ZINC000530243693 449092734 /nfs/dbraw/zinc/09/27/34/449092734.db2.gz XJXLVHNYFHUGPM-LJQANCHMSA-N 2 1 341.459 1.858 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000595696158 449123513 /nfs/dbraw/zinc/12/35/13/449123513.db2.gz YLUPXDOSRRLWHN-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000595696158 449123519 /nfs/dbraw/zinc/12/35/19/449123519.db2.gz YLUPXDOSRRLWHN-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000595696158 449123526 /nfs/dbraw/zinc/12/35/26/449123526.db2.gz YLUPXDOSRRLWHN-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP COC(=O)[C@H]1C[C@@H]([N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000595857566 449211567 /nfs/dbraw/zinc/21/15/67/449211567.db2.gz ZXQQPUYBJKDFRY-IXDOHACOSA-N 2 1 347.459 1.289 20 0 EDADMP COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000595857566 449211573 /nfs/dbraw/zinc/21/15/73/449211573.db2.gz ZXQQPUYBJKDFRY-IXDOHACOSA-N 2 1 347.459 1.289 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)C2)CC1 ZINC000604175753 449185524 /nfs/dbraw/zinc/18/55/24/449185524.db2.gz AFFAOUOJXHCCIA-CGTJXYLNSA-N 2 1 349.523 1.081 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000604175753 449185528 /nfs/dbraw/zinc/18/55/28/449185528.db2.gz AFFAOUOJXHCCIA-CGTJXYLNSA-N 2 1 349.523 1.081 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000604175753 449185530 /nfs/dbraw/zinc/18/55/30/449185530.db2.gz AFFAOUOJXHCCIA-CGTJXYLNSA-N 2 1 349.523 1.081 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000604175753 449185533 /nfs/dbraw/zinc/18/55/33/449185533.db2.gz AFFAOUOJXHCCIA-CGTJXYLNSA-N 2 1 349.523 1.081 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000604175753 449185537 /nfs/dbraw/zinc/18/55/37/449185537.db2.gz AFFAOUOJXHCCIA-CGTJXYLNSA-N 2 1 349.523 1.081 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900833 449242076 /nfs/dbraw/zinc/24/20/76/449242076.db2.gz MVIFYSJWOUPKIM-ZBFHGGJFSA-N 2 1 338.496 1.568 20 0 EDADMP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)C2)CC1 ZINC000602095138 449340501 /nfs/dbraw/zinc/34/05/01/449340501.db2.gz DGLQKAXZYKNJPQ-ROUUACIJSA-N 2 1 334.508 1.242 20 0 EDADMP CSC[C@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000596692980 449609230 /nfs/dbraw/zinc/60/92/30/449609230.db2.gz OXRTXZIJUVTWPP-LSDHHAIUSA-N 2 1 330.542 1.795 20 0 EDADMP CSC[C@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000596692980 449609235 /nfs/dbraw/zinc/60/92/35/449609235.db2.gz OXRTXZIJUVTWPP-LSDHHAIUSA-N 2 1 330.542 1.795 20 0 EDADMP COC(=O)c1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)[nH]c1C ZINC000602480283 449624274 /nfs/dbraw/zinc/62/42/74/449624274.db2.gz CCRLWFKGNCQRGS-KRWDZBQOSA-N 2 1 348.491 1.710 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)[nH]c1C ZINC000602480283 449624276 /nfs/dbraw/zinc/62/42/76/449624276.db2.gz CCRLWFKGNCQRGS-KRWDZBQOSA-N 2 1 348.491 1.710 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000614506440 449654432 /nfs/dbraw/zinc/65/44/32/449654432.db2.gz XQQSGKRPOLESDA-RBUKOAKNSA-N 2 1 342.487 1.015 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614506440 449654437 /nfs/dbraw/zinc/65/44/37/449654437.db2.gz XQQSGKRPOLESDA-RBUKOAKNSA-N 2 1 342.487 1.015 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000614506440 449654439 /nfs/dbraw/zinc/65/44/39/449654439.db2.gz XQQSGKRPOLESDA-RBUKOAKNSA-N 2 1 342.487 1.015 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nc2cnccc2s1 ZINC000617507571 449658192 /nfs/dbraw/zinc/65/81/92/449658192.db2.gz AIJHTWUWEZFPTR-LBPRGKRZSA-N 2 1 335.477 1.693 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nc2cnccc2s1 ZINC000617507571 449658196 /nfs/dbraw/zinc/65/81/96/449658196.db2.gz AIJHTWUWEZFPTR-LBPRGKRZSA-N 2 1 335.477 1.693 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000594698804 449631697 /nfs/dbraw/zinc/63/16/97/449631697.db2.gz GSUYBBIJXZANNW-ZWKOTPCHSA-N 2 1 330.476 1.752 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000594698804 449631704 /nfs/dbraw/zinc/63/17/04/449631704.db2.gz GSUYBBIJXZANNW-ZWKOTPCHSA-N 2 1 330.476 1.752 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000594698804 449631709 /nfs/dbraw/zinc/63/17/09/449631709.db2.gz GSUYBBIJXZANNW-ZWKOTPCHSA-N 2 1 330.476 1.752 20 0 EDADMP Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nn1C(C)(C)C ZINC000617504785 449648776 /nfs/dbraw/zinc/64/87/76/449648776.db2.gz KEPMMOXVHLOKTE-AWEZNQCLSA-N 2 1 337.512 1.948 20 0 EDADMP Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nn1C(C)(C)C ZINC000617504785 449648781 /nfs/dbraw/zinc/64/87/81/449648781.db2.gz KEPMMOXVHLOKTE-AWEZNQCLSA-N 2 1 337.512 1.948 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCn1cnc2ccccc21 ZINC000617504393 449649141 /nfs/dbraw/zinc/64/91/41/449649141.db2.gz UBHPDRYRAWPCHY-INIZCTEOSA-N 2 1 345.491 1.815 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCn1cnc2ccccc21 ZINC000617504393 449649144 /nfs/dbraw/zinc/64/91/44/449649144.db2.gz UBHPDRYRAWPCHY-INIZCTEOSA-N 2 1 345.491 1.815 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](CCO)CC1 ZINC000601215199 449755172 /nfs/dbraw/zinc/75/51/72/449755172.db2.gz UFXQZVTXWWQRSX-GOSISDBHSA-N 2 1 346.475 1.017 20 0 EDADMP COC(=O)c1coc([C@H](C)[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)n1 ZINC000601325784 449833388 /nfs/dbraw/zinc/83/33/88/449833388.db2.gz NZMGPFAAUNMQJT-LNSITVRQSA-N 2 1 337.420 1.741 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846026 449853766 /nfs/dbraw/zinc/85/37/66/449853766.db2.gz ORWMZPDXLLMBTI-OAHLLOKOSA-N 2 1 347.463 1.464 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C[C@H]1C ZINC000602845990 449852723 /nfs/dbraw/zinc/85/27/23/449852723.db2.gz OCHSYXUUJUVTDC-SUMDDJOVSA-N 2 1 332.444 1.364 20 0 EDADMP COC(=O)[C@@H]1C[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000602845990 449852727 /nfs/dbraw/zinc/85/27/27/449852727.db2.gz OCHSYXUUJUVTDC-SUMDDJOVSA-N 2 1 332.444 1.364 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000602845990 449852729 /nfs/dbraw/zinc/85/27/29/449852729.db2.gz OCHSYXUUJUVTDC-SUMDDJOVSA-N 2 1 332.444 1.364 20 0 EDADMP COC(=O)[C@@H]1C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000602845990 449852733 /nfs/dbraw/zinc/85/27/33/449852733.db2.gz OCHSYXUUJUVTDC-SUMDDJOVSA-N 2 1 332.444 1.364 20 0 EDADMP COC(=O)[C@@H]1C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000602845990 449852737 /nfs/dbraw/zinc/85/27/37/449852737.db2.gz OCHSYXUUJUVTDC-SUMDDJOVSA-N 2 1 332.444 1.364 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CC(=O)OC)CC1 ZINC000608784641 449937019 /nfs/dbraw/zinc/93/70/19/449937019.db2.gz JIORPLQEUSCTBF-OAHLLOKOSA-N 2 1 325.453 1.005 20 0 EDADMP C[C@@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000612868583 449919011 /nfs/dbraw/zinc/91/90/11/449919011.db2.gz YXPXQRIWLXKAGQ-LPHOPBHVSA-N 2 1 345.491 1.248 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@@]3(C)CC[NH2+]C3)c2)CCO1 ZINC000612873211 449920046 /nfs/dbraw/zinc/92/00/46/449920046.db2.gz ZIJITMQVDMLOFP-KXBFYZLASA-N 2 1 346.475 1.459 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@@]3(C)CC[NH2+]C3)c2)CCO1 ZINC000612873211 449920052 /nfs/dbraw/zinc/92/00/52/449920052.db2.gz ZIJITMQVDMLOFP-KXBFYZLASA-N 2 1 346.475 1.459 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)[C@H](c2ccccc2)C1 ZINC000612963959 449958388 /nfs/dbraw/zinc/95/83/88/449958388.db2.gz NFMSHVICXDXBHZ-IRXDYDNUSA-N 2 1 328.460 1.827 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)[C@H](c2ccccc2)C1 ZINC000612963959 449958393 /nfs/dbraw/zinc/95/83/93/449958393.db2.gz NFMSHVICXDXBHZ-IRXDYDNUSA-N 2 1 328.460 1.827 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)C[C@@H](C)O1 ZINC000612963081 449959223 /nfs/dbraw/zinc/95/92/23/449959223.db2.gz GZUYPEFEHGYUTP-RBSFLKMASA-N 2 1 338.496 1.316 20 0 EDADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000612977479 449967650 /nfs/dbraw/zinc/96/76/50/449967650.db2.gz ZIEBWVAELPBQDI-HYVNUMGLSA-N 2 1 332.492 1.787 20 0 EDADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000615308815 450056870 /nfs/dbraw/zinc/05/68/70/450056870.db2.gz OEVFOGCTMFXDPM-NJAFHUGGSA-N 2 1 330.476 1.845 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H]4COC[C@@]4(C)C3)CC2)CC1 ZINC000618702424 450275372 /nfs/dbraw/zinc/27/53/72/450275372.db2.gz RCKYRLABFRNMSP-FXAWDEMLSA-N 2 1 349.519 1.678 20 0 EDADMP CCOC(=O)CN(C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1 ZINC000603432464 450300340 /nfs/dbraw/zinc/30/03/40/450300340.db2.gz INMCUPZLUHTHEE-GJZGRUSLSA-N 2 1 333.432 1.298 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000619898642 450367646 /nfs/dbraw/zinc/36/76/46/450367646.db2.gz SPLILUGNBXPKHT-MJGOQNOKSA-N 2 1 345.487 1.785 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000619898642 450367650 /nfs/dbraw/zinc/36/76/50/450367650.db2.gz SPLILUGNBXPKHT-MJGOQNOKSA-N 2 1 345.487 1.785 20 0 EDADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620478907 450498180 /nfs/dbraw/zinc/49/81/80/450498180.db2.gz JYQSTJDBTKGRSR-RBUKOAKNSA-N 2 1 349.519 1.841 20 0 EDADMP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000620478907 450498181 /nfs/dbraw/zinc/49/81/81/450498181.db2.gz JYQSTJDBTKGRSR-RBUKOAKNSA-N 2 1 349.519 1.841 20 0 EDADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000620478907 450498182 /nfs/dbraw/zinc/49/81/82/450498182.db2.gz JYQSTJDBTKGRSR-RBUKOAKNSA-N 2 1 349.519 1.841 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620485238 450502370 /nfs/dbraw/zinc/50/23/70/450502370.db2.gz RGHZBWDNXFIUSV-MOPGFXCFSA-N 2 1 345.487 1.737 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620485238 450502372 /nfs/dbraw/zinc/50/23/72/450502372.db2.gz RGHZBWDNXFIUSV-MOPGFXCFSA-N 2 1 345.487 1.737 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620485238 450502376 /nfs/dbraw/zinc/50/23/76/450502376.db2.gz RGHZBWDNXFIUSV-MOPGFXCFSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@@H](c1ccc(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1)[NH+]1CCOCC1 ZINC000625859929 450523272 /nfs/dbraw/zinc/52/32/72/450523272.db2.gz HUDDJXBALSBIKQ-GRDNDAEWSA-N 2 1 332.448 1.952 20 0 EDADMP CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623491410 450531236 /nfs/dbraw/zinc/53/12/36/450531236.db2.gz SIDZHQVISMVYKD-OAHLLOKOSA-N 2 1 331.526 1.511 20 0 EDADMP C[NH+](C)CCCCC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000620724177 450534006 /nfs/dbraw/zinc/53/40/06/450534006.db2.gz XAOUNZBDHBAMJA-IBGZPJMESA-N 2 1 346.519 1.651 20 0 EDADMP C[NH+](C)CCCCC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000620724177 450534007 /nfs/dbraw/zinc/53/40/07/450534007.db2.gz XAOUNZBDHBAMJA-IBGZPJMESA-N 2 1 346.519 1.651 20 0 EDADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000621010796 450572811 /nfs/dbraw/zinc/57/28/11/450572811.db2.gz JMBDIAZDMAXJPC-QGZVFWFLSA-N 2 1 336.455 1.993 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626143175 450582985 /nfs/dbraw/zinc/58/29/85/450582985.db2.gz HEWQGPXHVIXABL-UHFFFAOYSA-N 2 1 344.415 1.694 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626143175 450582988 /nfs/dbraw/zinc/58/29/88/450582988.db2.gz HEWQGPXHVIXABL-UHFFFAOYSA-N 2 1 344.415 1.694 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621158460 450605104 /nfs/dbraw/zinc/60/51/04/450605104.db2.gz PUCHKFYWSYXDOG-CQSZACIVSA-N 2 1 330.436 1.293 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000623837300 450609715 /nfs/dbraw/zinc/60/97/15/450609715.db2.gz VZJDPIUIVPHIQS-QGZVFWFLSA-N 2 1 332.492 1.998 20 0 EDADMP COc1cc2[nH+]c(N[C@H](C)C3CC[NH+](C)CC3)nc(N)c2cc1OC ZINC000623968775 450654197 /nfs/dbraw/zinc/65/41/97/450654197.db2.gz NYELQFQTKABYKE-LLVKDONJSA-N 2 1 345.447 1.793 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)NC[C@@H]2CCCC[NH+](C)C2)CC1(C)C ZINC000623997365 450664581 /nfs/dbraw/zinc/66/45/81/450664581.db2.gz KMZBAJCNLLISIC-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[NH+]1CCN(CCNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1(C)C ZINC000623997365 450664588 /nfs/dbraw/zinc/66/45/88/450664588.db2.gz KMZBAJCNLLISIC-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[NH+]1CCN(CCNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1(C)C ZINC000623997365 450664591 /nfs/dbraw/zinc/66/45/91/450664591.db2.gz KMZBAJCNLLISIC-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1CO ZINC000621372343 450704974 /nfs/dbraw/zinc/70/49/74/450704974.db2.gz UEVZGKXULOTLGU-BPQIPLTHSA-N 2 1 333.476 1.356 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)[C@H]2CCC[C@@H]21 ZINC000624116971 450712293 /nfs/dbraw/zinc/71/22/93/450712293.db2.gz CNWKGAIERSXXSP-WCVJEAGWSA-N 2 1 341.463 1.165 20 0 EDADMP O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629566260 450739875 /nfs/dbraw/zinc/73/98/75/450739875.db2.gz ISBLFKDKROWTNR-MOPGFXCFSA-N 2 1 345.487 1.266 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000629568541 450741150 /nfs/dbraw/zinc/74/11/50/450741150.db2.gz LCSGYWAAIHDJIR-GOEBONIOSA-N 2 1 335.448 1.183 20 0 EDADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629578334 450745572 /nfs/dbraw/zinc/74/55/72/450745572.db2.gz IRWQIASTAKSEEN-ZDUSSCGKSA-N 2 1 327.856 1.767 20 0 EDADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629578334 450745576 /nfs/dbraw/zinc/74/55/76/450745576.db2.gz IRWQIASTAKSEEN-ZDUSSCGKSA-N 2 1 327.856 1.767 20 0 EDADMP C[C@@H](c1cccc(NC[C@H](O)C[NH+]2CCCC2)c1)[NH+]1CCOCC1 ZINC000629582839 450749172 /nfs/dbraw/zinc/74/91/72/450749172.db2.gz WYIOJVHTQJCVNZ-LPHOPBHVSA-N 2 1 333.476 1.948 20 0 EDADMP COc1ccc([C@H]2CC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000629588488 450751910 /nfs/dbraw/zinc/75/19/10/450751910.db2.gz IPIITROOQAHWST-HNNXBMFYSA-N 2 1 335.423 1.446 20 0 EDADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(-c2c[nH]cn2)cc1 ZINC000633257460 450760497 /nfs/dbraw/zinc/76/04/97/450760497.db2.gz VZILOOATNUZSLZ-MRXNPFEDSA-N 2 1 328.416 1.653 20 0 EDADMP COC1(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCC1 ZINC000629647825 450770924 /nfs/dbraw/zinc/77/09/24/450770924.db2.gz BIIIWTDEHGVGMP-CVEARBPZSA-N 2 1 336.480 1.166 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621657890 450819426 /nfs/dbraw/zinc/81/94/26/450819426.db2.gz XBFFGQJXHJZDNL-MRXNPFEDSA-N 2 1 325.497 1.583 20 0 EDADMP O[C@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624335801 450797839 /nfs/dbraw/zinc/79/78/39/450797839.db2.gz AJSWOAAFZSAVKX-PLACYPQZSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@H]1CC[N@H+](CCN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000624335801 450797845 /nfs/dbraw/zinc/79/78/45/450797845.db2.gz AJSWOAAFZSAVKX-PLACYPQZSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@H]1CC[N@@H+](CCN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000624335801 450797852 /nfs/dbraw/zinc/79/78/52/450797852.db2.gz AJSWOAAFZSAVKX-PLACYPQZSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@H]1CC[NH+](CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624335801 450797858 /nfs/dbraw/zinc/79/78/58/450797858.db2.gz AJSWOAAFZSAVKX-PLACYPQZSA-N 2 1 343.515 1.943 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000631821418 450797897 /nfs/dbraw/zinc/79/78/97/450797897.db2.gz XDLQOQMXIDEFNZ-VYDXJSESSA-N 2 1 346.475 1.039 20 0 EDADMP O[C@H]1CC[NH+](CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624335801 450797867 /nfs/dbraw/zinc/79/78/67/450797867.db2.gz AJSWOAAFZSAVKX-PLACYPQZSA-N 2 1 343.515 1.943 20 0 EDADMP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc2c(c1)OCO2 ZINC000631886751 450848995 /nfs/dbraw/zinc/84/89/95/450848995.db2.gz JTOUGJLJJOXLND-ZFWWWQNUSA-N 2 1 331.416 1.818 20 0 EDADMP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc2c(c1)OCO2 ZINC000631886751 450848999 /nfs/dbraw/zinc/84/89/99/450848999.db2.gz JTOUGJLJJOXLND-ZFWWWQNUSA-N 2 1 331.416 1.818 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629954938 450912868 /nfs/dbraw/zinc/91/28/68/450912868.db2.gz VHFPAGIPMBLUPY-IAGOWNOFSA-N 2 1 336.524 1.488 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000626946153 451025881 /nfs/dbraw/zinc/02/58/81/451025881.db2.gz MDBYLFQBHPIFEK-RDJZCZTQSA-N 2 1 334.464 1.357 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626986423 451053263 /nfs/dbraw/zinc/05/32/63/451053263.db2.gz STSWUSOVJYLNIT-ONIAQPFYSA-N 2 1 346.475 1.326 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626986423 451053266 /nfs/dbraw/zinc/05/32/66/451053266.db2.gz STSWUSOVJYLNIT-ONIAQPFYSA-N 2 1 346.475 1.326 20 0 EDADMP C[C@@H](CCNC(=O)NCC1([NH3+])CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000626991173 451057137 /nfs/dbraw/zinc/05/71/37/451057137.db2.gz CGNSAKMDWFCYIK-INIZCTEOSA-N 2 1 348.491 1.704 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000635561785 451061445 /nfs/dbraw/zinc/06/14/45/451061445.db2.gz HLBMBFOBRDHNFN-BHIYHBOVSA-N 2 1 343.471 1.583 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000635561785 451061449 /nfs/dbraw/zinc/06/14/49/451061449.db2.gz HLBMBFOBRDHNFN-BHIYHBOVSA-N 2 1 343.471 1.583 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000635561785 451061451 /nfs/dbraw/zinc/06/14/51/451061451.db2.gz HLBMBFOBRDHNFN-BHIYHBOVSA-N 2 1 343.471 1.583 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000635561785 451061454 /nfs/dbraw/zinc/06/14/54/451061454.db2.gz HLBMBFOBRDHNFN-BHIYHBOVSA-N 2 1 343.471 1.583 20 0 EDADMP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH+](CCCF)CC1 ZINC000627957249 451050808 /nfs/dbraw/zinc/05/08/08/451050808.db2.gz SFBHXGHTXXLQPO-SFHVURJKSA-N 2 1 348.466 1.797 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[NH+](CCCF)CC1 ZINC000627957249 451050811 /nfs/dbraw/zinc/05/08/11/451050811.db2.gz SFBHXGHTXXLQPO-SFHVURJKSA-N 2 1 348.466 1.797 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)CC2)c1 ZINC000627193308 451179366 /nfs/dbraw/zinc/17/93/66/451179366.db2.gz HMKJYMUFGCVUGA-SJLPKXTDSA-N 2 1 330.476 1.963 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000632300865 451184428 /nfs/dbraw/zinc/18/44/28/451184428.db2.gz FARRAGZLDKZCPL-MRXNPFEDSA-N 2 1 331.526 1.655 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cnn(C3CC[NH+](C)CC3)c1)CC2 ZINC000634096352 451191616 /nfs/dbraw/zinc/19/16/16/451191616.db2.gz QWAYRUBJKQVASP-AWEZNQCLSA-N 2 1 342.447 1.856 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H]2CC[NH+]2C2CCCC2)CC[N@@H+]1CCOC ZINC000635753222 451220517 /nfs/dbraw/zinc/22/05/17/451220517.db2.gz PGQHHSKGEKTNIR-QZTJIDSGSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H]2CC[NH+]2C2CCCC2)CC[N@H+]1CCOC ZINC000635753222 451220519 /nfs/dbraw/zinc/22/05/19/451220519.db2.gz PGQHHSKGEKTNIR-QZTJIDSGSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1CCOC ZINC000635753222 451220520 /nfs/dbraw/zinc/22/05/20/451220520.db2.gz PGQHHSKGEKTNIR-QZTJIDSGSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC[NH+]1CCOC ZINC000635753222 451220521 /nfs/dbraw/zinc/22/05/21/451220521.db2.gz PGQHHSKGEKTNIR-QZTJIDSGSA-N 2 1 337.508 1.963 20 0 EDADMP CCO[C@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000625253004 451241223 /nfs/dbraw/zinc/24/12/23/451241223.db2.gz KLXJHEKIMZJIMJ-GOSISDBHSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638110612 451278535 /nfs/dbraw/zinc/27/85/35/451278535.db2.gz GVNWXRAXTGBNIL-HKUYNNGSSA-N 2 1 331.460 1.345 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3=CC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000638133052 451305227 /nfs/dbraw/zinc/30/52/27/451305227.db2.gz YTJUOZAPNFFDNZ-JKSUJKDBSA-N 2 1 345.443 1.442 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C3=CC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000638133052 451305231 /nfs/dbraw/zinc/30/52/31/451305231.db2.gz YTJUOZAPNFFDNZ-JKSUJKDBSA-N 2 1 345.443 1.442 20 0 EDADMP CC[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638135625 451309110 /nfs/dbraw/zinc/30/91/10/451309110.db2.gz UUUXRXNZYOJUJL-FHWLQOOXSA-N 2 1 343.471 1.830 20 0 EDADMP CC[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638135625 451309115 /nfs/dbraw/zinc/30/91/15/451309115.db2.gz UUUXRXNZYOJUJL-FHWLQOOXSA-N 2 1 343.471 1.830 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638137089 451311075 /nfs/dbraw/zinc/31/10/75/451311075.db2.gz RFRCJMSOSXGFKD-IBGZPJMESA-N 2 1 342.487 1.488 20 0 EDADMP CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000632477892 451326581 /nfs/dbraw/zinc/32/65/81/451326581.db2.gz QKXMWSJUQAUKMZ-QGZVFWFLSA-N 2 1 337.489 1.463 20 0 EDADMP C[C@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CC[NH2+]1 ZINC000638199723 451351817 /nfs/dbraw/zinc/35/18/17/451351817.db2.gz LETKCEZXOWWBAS-HQRMLTQVSA-N 2 1 343.471 1.345 20 0 EDADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000640534210 451384438 /nfs/dbraw/zinc/38/44/38/451384438.db2.gz NPXGXIIWRLERPL-MRXNPFEDSA-N 2 1 331.526 1.466 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000635894894 451338674 /nfs/dbraw/zinc/33/86/74/451338674.db2.gz KVFGLMXHILAUQZ-UHFFFAOYSA-N 2 1 346.519 1.303 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000635894894 451338682 /nfs/dbraw/zinc/33/86/82/451338682.db2.gz KVFGLMXHILAUQZ-UHFFFAOYSA-N 2 1 346.519 1.303 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000635894894 451338686 /nfs/dbraw/zinc/33/86/86/451338686.db2.gz KVFGLMXHILAUQZ-UHFFFAOYSA-N 2 1 346.519 1.303 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(C)(C)N1CCOCC1 ZINC000638180752 451341487 /nfs/dbraw/zinc/34/14/87/451341487.db2.gz KMZYLWOQPMCCBT-BRWVUGGUSA-N 2 1 325.497 1.281 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636606915 451346341 /nfs/dbraw/zinc/34/63/41/451346341.db2.gz IRWCOXQBSOYQFI-UHFFFAOYSA-N 2 1 345.451 1.867 20 0 EDADMP [NH3+]C1(CC(=O)NCc2c[nH]cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000638282690 451401901 /nfs/dbraw/zinc/40/19/01/451401901.db2.gz UIGPOEIFXJZKJO-UHFFFAOYSA-N 2 1 327.432 1.410 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000638286753 451404041 /nfs/dbraw/zinc/40/40/41/451404041.db2.gz PWWFLGVDTCDFHP-GBESFXJTSA-N 2 1 344.503 1.388 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000638286753 451404043 /nfs/dbraw/zinc/40/40/43/451404043.db2.gz PWWFLGVDTCDFHP-GBESFXJTSA-N 2 1 344.503 1.388 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000638286753 451404049 /nfs/dbraw/zinc/40/40/49/451404049.db2.gz PWWFLGVDTCDFHP-GBESFXJTSA-N 2 1 344.503 1.388 20 0 EDADMP C[C@@H]1C[N@H+](CCNC(=O)Cc2cccc3c2CC[NH2+]C3)[C@H](C)CO1 ZINC000638405702 451493853 /nfs/dbraw/zinc/49/38/53/451493853.db2.gz GESPNJDZBWLBPQ-HUUCEWRRSA-N 2 1 331.460 1.100 20 0 EDADMP C[C@@H]1C[N@@H+](CCNC(=O)Cc2cccc3c2CC[NH2+]C3)[C@H](C)CO1 ZINC000638405702 451493858 /nfs/dbraw/zinc/49/38/58/451493858.db2.gz GESPNJDZBWLBPQ-HUUCEWRRSA-N 2 1 331.460 1.100 20 0 EDADMP CO[C@@]1(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CCOC1 ZINC000638355640 451457857 /nfs/dbraw/zinc/45/78/57/451457857.db2.gz OZWNQSVIBFQZJG-WOJBJXKFSA-N 2 1 347.503 1.760 20 0 EDADMP Cn1cc(CCC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000634703159 451478925 /nfs/dbraw/zinc/47/89/25/451478925.db2.gz QYAIKBFTSWXDIW-IBGZPJMESA-N 2 1 328.460 1.579 20 0 EDADMP Cn1cc(CCC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000634703159 451478930 /nfs/dbraw/zinc/47/89/30/451478930.db2.gz QYAIKBFTSWXDIW-IBGZPJMESA-N 2 1 328.460 1.579 20 0 EDADMP CO[C@@H]1COCC[C@@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715327 451495188 /nfs/dbraw/zinc/49/51/88/451495188.db2.gz AYSJABKVBNOPIL-GUDVDZBRSA-N 2 1 334.460 1.265 20 0 EDADMP CO[C@@H]1COCC[C@@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715327 451495192 /nfs/dbraw/zinc/49/51/92/451495192.db2.gz AYSJABKVBNOPIL-GUDVDZBRSA-N 2 1 334.460 1.265 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC[N@H+]1C ZINC000630862584 451445660 /nfs/dbraw/zinc/44/56/60/451445660.db2.gz JRXZDWCDMWFXBK-ZWKOTPCHSA-N 2 1 336.524 1.392 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000638416274 451500805 /nfs/dbraw/zinc/50/08/05/451500805.db2.gz PTCQYXMOKDQIFW-FBVQUNGASA-N 2 1 330.476 1.187 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000638416274 451500811 /nfs/dbraw/zinc/50/08/11/451500811.db2.gz PTCQYXMOKDQIFW-FBVQUNGASA-N 2 1 330.476 1.187 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000638416274 451500819 /nfs/dbraw/zinc/50/08/19/451500819.db2.gz PTCQYXMOKDQIFW-FBVQUNGASA-N 2 1 330.476 1.187 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638415793 451501627 /nfs/dbraw/zinc/50/16/27/451501627.db2.gz LPHQFKUPGGWMJZ-QUCCMNQESA-N 2 1 345.487 1.517 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N[C@H]1Cc2cncn2C1 ZINC000636784899 451506090 /nfs/dbraw/zinc/50/60/90/451506090.db2.gz ANIYWJMWRFARIW-DLBZAZTESA-N 2 1 339.443 1.772 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC000638481384 451536048 /nfs/dbraw/zinc/53/60/48/451536048.db2.gz KVMYYOKKXWIMPF-QZTJIDSGSA-N 2 1 333.476 1.719 20 0 EDADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000636203742 451582416 /nfs/dbraw/zinc/58/24/16/451582416.db2.gz YNLIKNBJMQRGML-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP CO[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000638586493 451590435 /nfs/dbraw/zinc/59/04/35/451590435.db2.gz UCTYIYKPBUVSRD-OALUTQOASA-N 2 1 345.487 1.899 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000638592808 451594434 /nfs/dbraw/zinc/59/44/34/451594434.db2.gz QQVYNVSXNKECEJ-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636922405 451610242 /nfs/dbraw/zinc/61/02/42/451610242.db2.gz RJUYLULLHAHHAH-GUYCJALGSA-N 2 1 346.479 1.754 20 0 EDADMP Cc1nc(N)nc(NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000631177858 451626991 /nfs/dbraw/zinc/62/69/91/451626991.db2.gz ATECFDXTLIWYOY-XJKSGUPXSA-N 2 1 326.448 1.897 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[NH2+]1 ZINC000638643979 451627783 /nfs/dbraw/zinc/62/77/83/451627783.db2.gz NRXSGGVYTVEBTR-KBAYOESNSA-N 2 1 330.476 1.232 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000638674873 451646098 /nfs/dbraw/zinc/64/60/98/451646098.db2.gz MYELBBOLZLZYGJ-UHFFFAOYSA-N 2 1 342.509 1.812 20 0 EDADMP CCCCCNC(=O)[C@@H](C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640903318 451683151 /nfs/dbraw/zinc/68/31/51/451683151.db2.gz LIIFOTDGODMGHY-CQSZACIVSA-N 2 1 336.484 1.111 20 0 EDADMP CCCCCNC(=O)[C@H](C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640903316 451683317 /nfs/dbraw/zinc/68/33/17/451683317.db2.gz LIIFOTDGODMGHY-AWEZNQCLSA-N 2 1 336.484 1.111 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640908671 451685463 /nfs/dbraw/zinc/68/54/63/451685463.db2.gz LEJAHMQBDHVJEQ-KBPBESRZSA-N 2 1 336.484 1.110 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000638835517 451705124 /nfs/dbraw/zinc/70/51/24/451705124.db2.gz MECAWRLEZOAYSQ-KBAYOESNSA-N 2 1 331.460 1.249 20 0 EDADMP C[C@@]1(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C[NH2+]CCO1 ZINC000638852186 451711147 /nfs/dbraw/zinc/71/11/47/451711147.db2.gz VRVCJPQCWALLAB-ICSRJNTNSA-N 2 1 345.487 1.926 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C2)cc1 ZINC000632956023 451668115 /nfs/dbraw/zinc/66/81/15/451668115.db2.gz SQSQRBCUNIJREJ-KGLIPLIRSA-N 2 1 344.381 1.758 20 0 EDADMP C[C@@H]([NH2+]Cc1cnc(N)nc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638914673 451734267 /nfs/dbraw/zinc/73/42/67/451734267.db2.gz CITCRBPYJIRRNU-HIFRSBDPSA-N 2 1 326.448 1.302 20 0 EDADMP C[C@@H]([NH2+]Cc1cnc(N)nc1N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638914673 451734271 /nfs/dbraw/zinc/73/42/71/451734271.db2.gz CITCRBPYJIRRNU-HIFRSBDPSA-N 2 1 326.448 1.302 20 0 EDADMP O=C1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCCN1 ZINC000638970725 451743590 /nfs/dbraw/zinc/74/35/90/451743590.db2.gz ONSNBQMTGGUJCA-MSOLQXFVSA-N 2 1 331.460 1.402 20 0 EDADMP Cc1[nH+]ccn1CCCn1cc(COc2ccccc2C[NH3+])nn1 ZINC000641150207 451762881 /nfs/dbraw/zinc/76/28/81/451762881.db2.gz ZQDQIOYUQMOJGO-UHFFFAOYSA-N 2 1 326.404 1.911 20 0 EDADMP CN1CCc2c(cccc2S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000641323799 451847165 /nfs/dbraw/zinc/84/71/65/451847165.db2.gz PBIHSXGRWXTMJS-CQSZACIVSA-N 2 1 337.489 1.295 20 0 EDADMP CC(=O)NC1CCC([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644536548 451849839 /nfs/dbraw/zinc/84/98/39/451849839.db2.gz GKTJJLIXTDHWDS-CTWPCTMYSA-N 2 1 333.476 1.516 20 0 EDADMP CC(=O)NC1CCC([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644536548 451849845 /nfs/dbraw/zinc/84/98/45/451849845.db2.gz GKTJJLIXTDHWDS-CTWPCTMYSA-N 2 1 333.476 1.516 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1cccc(C(N)=O)c1 ZINC000644539472 451850669 /nfs/dbraw/zinc/85/06/69/451850669.db2.gz ONYWPDCMFUNMRZ-LJQANCHMSA-N 2 1 341.455 1.411 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1cccc(C(N)=O)c1 ZINC000644539472 451850674 /nfs/dbraw/zinc/85/06/74/451850674.db2.gz ONYWPDCMFUNMRZ-LJQANCHMSA-N 2 1 341.455 1.411 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639506869 451912226 /nfs/dbraw/zinc/91/22/26/451912226.db2.gz RYKMLJSVDMUGPR-WOJBJXKFSA-N 2 1 347.503 1.012 20 0 EDADMP Cc1ccc(N2CCC(C(=O)NC[C@](C)(O)CC[NH+](C)C)CC2)[nH+]c1 ZINC000642948571 451997342 /nfs/dbraw/zinc/99/73/42/451997342.db2.gz SUFFOILJYXJGNC-LJQANCHMSA-N 2 1 348.491 1.425 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC000649319711 451998112 /nfs/dbraw/zinc/99/81/12/451998112.db2.gz RZUDRGLPVVXGLT-UAGQMJEPSA-N 2 1 333.480 1.022 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637660797 452002619 /nfs/dbraw/zinc/00/26/19/452002619.db2.gz GOFRUFMBHMMDFV-MRXNPFEDSA-N 2 1 334.468 1.708 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(CCOC)CC[NH2+]CC2)C1 ZINC000649343964 452024589 /nfs/dbraw/zinc/02/45/89/452024589.db2.gz JZSJXPWFHMTNSZ-INIZCTEOSA-N 2 1 325.497 1.583 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000647090529 452053980 /nfs/dbraw/zinc/05/39/80/452053980.db2.gz LOWWNYUMOXQNSI-QGZVFWFLSA-N 2 1 332.492 1.470 20 0 EDADMP CC[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000649416826 452079145 /nfs/dbraw/zinc/07/91/45/452079145.db2.gz NACTXFMTKPIXPS-MOPGFXCFSA-N 2 1 344.503 1.390 20 0 EDADMP C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637806191 452092740 /nfs/dbraw/zinc/09/27/40/452092740.db2.gz QFWSJCMKYUAETF-HKUYNNGSSA-N 2 1 331.460 1.251 20 0 EDADMP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000637823532 452102458 /nfs/dbraw/zinc/10/24/58/452102458.db2.gz RKNHDZYIWOIHCI-CMKODMSKSA-N 2 1 343.471 1.332 20 0 EDADMP CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637827062 452103745 /nfs/dbraw/zinc/10/37/45/452103745.db2.gz MYODZOJDUAOHFS-HKUYNNGSSA-N 2 1 331.460 1.251 20 0 EDADMP C[C@@]12COC[C@]1(C)C[N@@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC000639799931 452137299 /nfs/dbraw/zinc/13/72/99/452137299.db2.gz HYWYTBNGHAXING-HSALFYBXSA-N 2 1 330.472 1.982 20 0 EDADMP C[C@@]12COC[C@]1(C)C[N@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC000639799931 452137303 /nfs/dbraw/zinc/13/73/03/452137303.db2.gz HYWYTBNGHAXING-HSALFYBXSA-N 2 1 330.472 1.982 20 0 EDADMP C[C@@]12COC[C@]1(C)C[NH+](C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC000639799931 452137310 /nfs/dbraw/zinc/13/73/10/452137310.db2.gz HYWYTBNGHAXING-HSALFYBXSA-N 2 1 330.472 1.982 20 0 EDADMP C[C@@]12COC[C@]1(C)C[NH+](C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000639799931 452137316 /nfs/dbraw/zinc/13/73/16/452137316.db2.gz HYWYTBNGHAXING-HSALFYBXSA-N 2 1 330.472 1.982 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000641624328 452144807 /nfs/dbraw/zinc/14/48/07/452144807.db2.gz CBGRRTOCQBWMKQ-HNNXBMFYSA-N 2 1 340.512 1.517 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000641624328 452144812 /nfs/dbraw/zinc/14/48/12/452144812.db2.gz CBGRRTOCQBWMKQ-HNNXBMFYSA-N 2 1 340.512 1.517 20 0 EDADMP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCC[N@H+]1C ZINC000649610469 452166157 /nfs/dbraw/zinc/16/61/57/452166157.db2.gz TUJNFRNZFJBDIR-FQEVSTJZSA-N 2 1 330.520 1.830 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)c2cccs2)CC1 ZINC000645182514 452199837 /nfs/dbraw/zinc/19/98/37/452199837.db2.gz JYIKZCUGKRTNAH-ZFWWWQNUSA-N 2 1 336.505 1.151 20 0 EDADMP CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc1 ZINC000647486468 452230917 /nfs/dbraw/zinc/23/09/17/452230917.db2.gz VTDIKUACPMCMMV-HNNXBMFYSA-N 2 1 332.448 1.124 20 0 EDADMP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c2ccccc21 ZINC000643455411 452232502 /nfs/dbraw/zinc/23/25/02/452232502.db2.gz DPWSGXWUBGRIHK-IPELMVKDSA-N 2 1 330.476 1.127 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2-n2cncn2)CC12CCOCC2 ZINC000647545430 452275272 /nfs/dbraw/zinc/27/52/72/452275272.db2.gz FWOWVMMEHVNZGK-MRXNPFEDSA-N 2 1 327.432 1.455 20 0 EDADMP CCCN(C(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645304368 452283585 /nfs/dbraw/zinc/28/35/85/452283585.db2.gz SEVSMPRBEQPQTA-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CCCN(C(=O)NCCCCN1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000645304368 452283591 /nfs/dbraw/zinc/28/35/91/452283591.db2.gz SEVSMPRBEQPQTA-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CCCN(C(=O)NCCCCN1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645304368 452283596 /nfs/dbraw/zinc/28/35/96/452283596.db2.gz SEVSMPRBEQPQTA-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000641804754 452284092 /nfs/dbraw/zinc/28/40/92/452284092.db2.gz ZYMTYZUVQNLBSM-USXIJHARSA-N 2 1 330.476 1.439 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC000641819943 452300607 /nfs/dbraw/zinc/30/06/07/452300607.db2.gz JEUNUBABGWBYKE-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000639987340 452318743 /nfs/dbraw/zinc/31/87/43/452318743.db2.gz BEHGXQWFVIMJSD-ZWKOTPCHSA-N 2 1 340.508 1.883 20 0 EDADMP CO[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC[C@H]1C ZINC000665761519 452336460 /nfs/dbraw/zinc/33/64/60/452336460.db2.gz GSHZEQPLELXLFE-PMPSAXMXSA-N 2 1 328.501 1.325 20 0 EDADMP CO[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC[C@H]1C ZINC000665761519 452336468 /nfs/dbraw/zinc/33/64/68/452336468.db2.gz GSHZEQPLELXLFE-PMPSAXMXSA-N 2 1 328.501 1.325 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](CCCO)C1 ZINC000665764224 452350100 /nfs/dbraw/zinc/35/01/00/452350100.db2.gz YKUNCDJHRGGBTA-HOTGVXAUSA-N 2 1 328.501 1.062 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](CCCO)C1 ZINC000665764224 452350107 /nfs/dbraw/zinc/35/01/07/452350107.db2.gz YKUNCDJHRGGBTA-HOTGVXAUSA-N 2 1 328.501 1.062 20 0 EDADMP OCCO[C@@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCOC1 ZINC000657597972 452367712 /nfs/dbraw/zinc/36/77/12/452367712.db2.gz FBRMFNASFUFHHR-HXUWFJFHSA-N 2 1 348.487 1.451 20 0 EDADMP C[C@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000638067601 452369941 /nfs/dbraw/zinc/36/99/41/452369941.db2.gz FPAMEZPCCFKOJX-ZHALLVOQSA-N 2 1 346.519 1.682 20 0 EDADMP C[C@H](CNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638067601 452369948 /nfs/dbraw/zinc/36/99/48/452369948.db2.gz FPAMEZPCCFKOJX-ZHALLVOQSA-N 2 1 346.519 1.682 20 0 EDADMP C[C@H](CNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000638067601 452369953 /nfs/dbraw/zinc/36/99/53/452369953.db2.gz FPAMEZPCCFKOJX-ZHALLVOQSA-N 2 1 346.519 1.682 20 0 EDADMP COC[C@]1(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCCC[NH2+]1 ZINC000638070574 452376910 /nfs/dbraw/zinc/37/69/10/452376910.db2.gz RRRNMSAWHPQGCU-FQEVSTJZSA-N 2 1 345.487 1.710 20 0 EDADMP [NH3+]C[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CCCOC1 ZINC000638078079 452391674 /nfs/dbraw/zinc/39/16/74/452391674.db2.gz CKCDRJYAOVGKGO-IBGZPJMESA-N 2 1 347.459 1.255 20 0 EDADMP C[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[NH2+]CCO1 ZINC000638079434 452395031 /nfs/dbraw/zinc/39/50/31/452395031.db2.gz DUXJWOPXFNAREK-PKOBYXMFSA-N 2 1 331.460 1.393 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000645430544 452401675 /nfs/dbraw/zinc/40/16/75/452401675.db2.gz VAMKQIXPULRGET-AWEZNQCLSA-N 2 1 343.431 1.572 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000645430545 452401858 /nfs/dbraw/zinc/40/18/58/452401858.db2.gz VAMKQIXPULRGET-CQSZACIVSA-N 2 1 343.431 1.572 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)CC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000645434983 452405678 /nfs/dbraw/zinc/40/56/78/452405678.db2.gz WQQYFSDYMDLBFH-QGZVFWFLSA-N 2 1 332.492 1.609 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)CC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000645434983 452405685 /nfs/dbraw/zinc/40/56/85/452405685.db2.gz WQQYFSDYMDLBFH-QGZVFWFLSA-N 2 1 332.492 1.609 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)CC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000645434983 452405692 /nfs/dbraw/zinc/40/56/92/452405692.db2.gz WQQYFSDYMDLBFH-QGZVFWFLSA-N 2 1 332.492 1.609 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCCC2=CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652217961 452412445 /nfs/dbraw/zinc/41/24/45/452412445.db2.gz QGNBXCFJHVUQHP-LJQANCHMSA-N 2 1 342.487 1.865 20 0 EDADMP C[N@H+]1CCN(C(=O)NCCC2=CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652217961 452412448 /nfs/dbraw/zinc/41/24/48/452412448.db2.gz QGNBXCFJHVUQHP-LJQANCHMSA-N 2 1 342.487 1.865 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654380802 452432654 /nfs/dbraw/zinc/43/26/54/452432654.db2.gz FKEFOFWJMIJYFK-LVQVYYBASA-N 2 1 338.496 1.268 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654380802 452432658 /nfs/dbraw/zinc/43/26/58/452432658.db2.gz FKEFOFWJMIJYFK-LVQVYYBASA-N 2 1 338.496 1.268 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654380802 452432664 /nfs/dbraw/zinc/43/26/64/452432664.db2.gz FKEFOFWJMIJYFK-LVQVYYBASA-N 2 1 338.496 1.268 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654380802 452432670 /nfs/dbraw/zinc/43/26/70/452432670.db2.gz FKEFOFWJMIJYFK-LVQVYYBASA-N 2 1 338.496 1.268 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654380802 452432677 /nfs/dbraw/zinc/43/26/77/452432677.db2.gz FKEFOFWJMIJYFK-LVQVYYBASA-N 2 1 338.496 1.268 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654404510 452456865 /nfs/dbraw/zinc/45/68/65/452456865.db2.gz OIEZHFOCSFQBML-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652274873 452461667 /nfs/dbraw/zinc/46/16/67/452461667.db2.gz XTACEMKPDXFKBF-DOTOQJQBSA-N 2 1 334.439 1.910 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000652289824 452473065 /nfs/dbraw/zinc/47/30/65/452473065.db2.gz GFPXEPGWTXQQSX-HUUCEWRRSA-N 2 1 334.464 1.003 20 0 EDADMP C[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654427201 452481554 /nfs/dbraw/zinc/48/15/54/452481554.db2.gz CSZMMHPKYFVEMB-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654427201 452481557 /nfs/dbraw/zinc/48/15/57/452481557.db2.gz CSZMMHPKYFVEMB-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000659624510 452482297 /nfs/dbraw/zinc/48/22/97/452482297.db2.gz VFPHHLBORBSJFZ-IAGOWNOFSA-N 2 1 339.528 1.171 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC(C)(C)CC[NH3+])C1 ZINC000659627218 452484563 /nfs/dbraw/zinc/48/45/63/452484563.db2.gz SRLOOHMDNMERFA-KRWDZBQOSA-N 2 1 347.507 1.229 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC(C)(C)CC[NH3+])C1 ZINC000659627218 452484568 /nfs/dbraw/zinc/48/45/68/452484568.db2.gz SRLOOHMDNMERFA-KRWDZBQOSA-N 2 1 347.507 1.229 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(=O)n4ccsc4n3)C2)C1 ZINC000652345869 452520310 /nfs/dbraw/zinc/52/03/10/452520310.db2.gz OGYCSZGAPSDEEM-NFAWXSAZSA-N 2 1 348.472 1.474 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3cccc(F)c3)C2)C1 ZINC000652345885 452520664 /nfs/dbraw/zinc/52/06/64/452520664.db2.gz OLYQRXCKHYJXJV-UNEWFSDZSA-N 2 1 335.423 1.983 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655700636 452521680 /nfs/dbraw/zinc/52/16/80/452521680.db2.gz KGKIUAWRNMQAMW-OAHLLOKOSA-N 2 1 343.427 1.126 20 0 EDADMP CCCCOCCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347659 452522018 /nfs/dbraw/zinc/52/20/18/452522018.db2.gz IDTBGKZBIQWLHV-BBWFWOEESA-N 2 1 341.496 1.138 20 0 EDADMP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347409 452522630 /nfs/dbraw/zinc/52/26/30/452522630.db2.gz AHTXTUBZFCVOGZ-QSOKESPWSA-N 2 1 349.519 1.994 20 0 EDADMP Cn1cc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)on2)cn1 ZINC000652364037 452543722 /nfs/dbraw/zinc/54/37/22/452543722.db2.gz VWMSCAWNPMFBKR-BMGDILEWSA-N 2 1 345.447 1.936 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814339 452544510 /nfs/dbraw/zinc/54/45/10/452544510.db2.gz JJSSUIVDHPJUNX-UHFFFAOYSA-N 2 1 330.432 1.331 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC2CC[NH+](C[C@@H]3CCCO3)CC2)CCCO1 ZINC000655759973 452561700 /nfs/dbraw/zinc/56/17/00/452561700.db2.gz UVNSJPUZLKTFTE-HKUYNNGSSA-N 3 1 339.524 1.720 20 0 EDADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655801231 452587736 /nfs/dbraw/zinc/58/77/36/452587736.db2.gz LSXUWHIXUITEQV-VXIBKDFQSA-N 2 1 339.524 1.717 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904256 452644324 /nfs/dbraw/zinc/64/43/24/452644324.db2.gz ZZCIKHJRLPQJQN-CABCVRRESA-N 2 1 334.464 1.315 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904256 452644333 /nfs/dbraw/zinc/64/43/33/452644333.db2.gz ZZCIKHJRLPQJQN-CABCVRRESA-N 2 1 334.464 1.315 20 0 EDADMP Cc1cn2ccc(NC(=O)C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2n1 ZINC000657992919 452667311 /nfs/dbraw/zinc/66/73/11/452667311.db2.gz RRLNRSCVRJNYFS-GOOCMWNKSA-N 2 1 341.415 1.323 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCOC3(CC[NH+](C)CC3)C1)CC2 ZINC000652493697 452688600 /nfs/dbraw/zinc/68/86/00/452688600.db2.gz IPWVHGRETSEKMU-OAHLLOKOSA-N 2 1 332.448 1.077 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000663998115 452699489 /nfs/dbraw/zinc/69/94/89/452699489.db2.gz GZTGUZMJTBNGGA-IRXDYDNUSA-N 3 1 341.544 1.290 20 0 EDADMP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C1 ZINC000663998115 452699491 /nfs/dbraw/zinc/69/94/91/452699491.db2.gz GZTGUZMJTBNGGA-IRXDYDNUSA-N 3 1 341.544 1.290 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C1 ZINC000663998115 452699494 /nfs/dbraw/zinc/69/94/94/452699494.db2.gz GZTGUZMJTBNGGA-IRXDYDNUSA-N 3 1 341.544 1.290 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000663998115 452699496 /nfs/dbraw/zinc/69/94/96/452699496.db2.gz GZTGUZMJTBNGGA-IRXDYDNUSA-N 3 1 341.544 1.290 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000663998115 452699499 /nfs/dbraw/zinc/69/94/99/452699499.db2.gz GZTGUZMJTBNGGA-IRXDYDNUSA-N 3 1 341.544 1.290 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000661947517 452702499 /nfs/dbraw/zinc/70/24/99/452702499.db2.gz IRWBNPTUVXNHHL-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000661947517 452702510 /nfs/dbraw/zinc/70/25/10/452702510.db2.gz IRWBNPTUVXNHHL-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000661947517 452702517 /nfs/dbraw/zinc/70/25/17/452702517.db2.gz IRWBNPTUVXNHHL-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000661951466 452713230 /nfs/dbraw/zinc/71/32/30/452713230.db2.gz ORNQQVFYGXIGOU-HNNXBMFYSA-N 2 1 347.463 1.406 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000661982050 452736930 /nfs/dbraw/zinc/73/69/30/452736930.db2.gz CMCBDPNPCGJOBY-SJORKVTESA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)CN1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659855699 452739201 /nfs/dbraw/zinc/73/92/01/452739201.db2.gz JQYIPSZJNPIFHN-MHORFTMASA-N 2 1 327.513 1.261 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659855699 452739182 /nfs/dbraw/zinc/73/91/82/452739182.db2.gz JQYIPSZJNPIFHN-MHORFTMASA-N 2 1 327.513 1.261 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)CN1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659855699 452739194 /nfs/dbraw/zinc/73/91/94/452739194.db2.gz JQYIPSZJNPIFHN-MHORFTMASA-N 2 1 327.513 1.261 20 0 EDADMP CO[C@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1CCOC1 ZINC000659862990 452741957 /nfs/dbraw/zinc/74/19/57/452741957.db2.gz HELSXCVFZHLTFK-ZSYWTGECSA-N 2 1 339.524 1.528 20 0 EDADMP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658140639 452747615 /nfs/dbraw/zinc/74/76/15/452747615.db2.gz VSMDWCJHKKOALA-IRXDYDNUSA-N 2 1 331.460 1.400 20 0 EDADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000648018383 452756508 /nfs/dbraw/zinc/75/65/08/452756508.db2.gz KMCICEXHSUZLPL-VQTJNVASSA-N 2 1 347.503 1.276 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC[C@H](N2CCOCC2)C1 ZINC000648018383 452756520 /nfs/dbraw/zinc/75/65/20/452756520.db2.gz KMCICEXHSUZLPL-VQTJNVASSA-N 2 1 347.503 1.276 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCC[C@H](N2CCOCC2)C1 ZINC000648018383 452756530 /nfs/dbraw/zinc/75/65/30/452756530.db2.gz KMCICEXHSUZLPL-VQTJNVASSA-N 2 1 347.503 1.276 20 0 EDADMP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000645786965 452787266 /nfs/dbraw/zinc/78/72/66/452787266.db2.gz NZANNERZHGNFGD-RTBURBONSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncnc2c1NC(=O)CS2 ZINC000664194701 452870285 /nfs/dbraw/zinc/87/02/85/452870285.db2.gz GQIXHSOQYKPRCW-NSHDSACASA-N 2 1 338.481 1.205 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncnc2c1NC(=O)CS2 ZINC000664194701 452870295 /nfs/dbraw/zinc/87/02/95/452870295.db2.gz GQIXHSOQYKPRCW-NSHDSACASA-N 2 1 338.481 1.205 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)CC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000650610573 452882958 /nfs/dbraw/zinc/88/29/58/452882958.db2.gz YTHPMQDLGKZHSM-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CNc4ccccc4C3)cn2)CC1 ZINC000650716051 452949802 /nfs/dbraw/zinc/94/98/02/452949802.db2.gz QNYSQABPWQJULZ-QGZVFWFLSA-N 2 1 338.459 1.355 20 0 EDADMP C[C@@H](CNc1cc(-n2cccn2)nc(N)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656211745 452963118 /nfs/dbraw/zinc/96/31/18/452963118.db2.gz YXPQBVZDSXGATL-RWMBFGLXSA-N 2 1 331.424 1.154 20 0 EDADMP O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662249194 452971865 /nfs/dbraw/zinc/97/18/65/452971865.db2.gz JENHLMCXSZRZAQ-SFHVURJKSA-N 2 1 329.444 1.156 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1)N1CCOCC1 ZINC000662249378 452975485 /nfs/dbraw/zinc/97/54/85/452975485.db2.gz UOHYKXNCVHCBAL-SFHVURJKSA-N 2 1 343.471 1.403 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(N(C)C)n1 ZINC000664315902 452989620 /nfs/dbraw/zinc/98/96/20/452989620.db2.gz WMBXXBMGTTZIBX-AWEZNQCLSA-N 2 1 336.484 1.541 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(N(C)C)n1 ZINC000664315902 452989627 /nfs/dbraw/zinc/98/96/27/452989627.db2.gz WMBXXBMGTTZIBX-AWEZNQCLSA-N 2 1 336.484 1.541 20 0 EDADMP c1cc2ncnc(N3CC[NH+](C[C@@H]4CCC5(C[NH2+]C5)O4)CC3)c2s1 ZINC000662262776 452995015 /nfs/dbraw/zinc/99/50/15/452995015.db2.gz GZKKKJDJWLOPAN-ZDUSSCGKSA-N 2 1 345.472 1.334 20 0 EDADMP NS(=O)(=O)c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)co1 ZINC000662273453 453001963 /nfs/dbraw/zinc/00/19/63/453001963.db2.gz MRBSVBCIYIXGPF-KGLIPLIRSA-N 2 1 327.450 1.139 20 0 EDADMP C(CC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1)CN1CCOCC1 ZINC000662278952 453005145 /nfs/dbraw/zinc/00/51/45/453005145.db2.gz OKXWDNPHGGSWGE-GOSISDBHSA-N 2 1 337.508 1.332 20 0 EDADMP COc1ccnc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1OC ZINC000662283629 453006748 /nfs/dbraw/zinc/00/67/48/453006748.db2.gz BXHZCUFXQNPJHG-VBQJREDUSA-N 2 1 335.448 1.817 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662295618 453017818 /nfs/dbraw/zinc/01/78/18/453017818.db2.gz HFRZNJCRNQICMD-HNNXBMFYSA-N 2 1 336.480 1.419 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CC1 ZINC000662313305 453029952 /nfs/dbraw/zinc/02/99/52/453029952.db2.gz JYNGMQYQCVHLSG-YTQUADARSA-N 2 1 335.492 1.432 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CC1 ZINC000662313305 453029963 /nfs/dbraw/zinc/02/99/63/453029963.db2.gz JYNGMQYQCVHLSG-YTQUADARSA-N 2 1 335.492 1.432 20 0 EDADMP COCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000650824879 453030250 /nfs/dbraw/zinc/03/02/50/453030250.db2.gz BXEHETPSVBGZEK-SFHVURJKSA-N 2 1 348.491 1.133 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000650824879 453030260 /nfs/dbraw/zinc/03/02/60/453030260.db2.gz BXEHETPSVBGZEK-SFHVURJKSA-N 2 1 348.491 1.133 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000650824879 453030267 /nfs/dbraw/zinc/03/02/67/453030267.db2.gz BXEHETPSVBGZEK-SFHVURJKSA-N 2 1 348.491 1.133 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000650824879 453030279 /nfs/dbraw/zinc/03/02/79/453030279.db2.gz BXEHETPSVBGZEK-SFHVURJKSA-N 2 1 348.491 1.133 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC000662318122 453032748 /nfs/dbraw/zinc/03/27/48/453032748.db2.gz WMDHKSCLYYYPCY-SJLPKXTDSA-N 3 1 338.540 1.815 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)COCc2cccs2)CCO1 ZINC000662319942 453039182 /nfs/dbraw/zinc/03/91/82/453039182.db2.gz QZTVCJXDUKNAGM-HOTGVXAUSA-N 2 1 342.505 1.668 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)COCc2cccs2)CCO1 ZINC000662319942 453039189 /nfs/dbraw/zinc/03/91/89/453039189.db2.gz QZTVCJXDUKNAGM-HOTGVXAUSA-N 2 1 342.505 1.668 20 0 EDADMP COCCCCC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338964 453055088 /nfs/dbraw/zinc/05/50/88/453055088.db2.gz XSMOSWQBFKWHIY-MRXNPFEDSA-N 2 1 335.496 1.815 20 0 EDADMP C[C@@H](c1cnccn1)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337640 453055252 /nfs/dbraw/zinc/05/52/52/453055252.db2.gz MLEFWBXQEFKQCX-LSDHHAIUSA-N 2 1 341.463 1.550 20 0 EDADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)cc1 ZINC000652889470 453057802 /nfs/dbraw/zinc/05/78/02/453057802.db2.gz UHOWZXJSEIJPKL-LJQANCHMSA-N 2 1 345.487 1.810 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)cc1 ZINC000652889470 453057813 /nfs/dbraw/zinc/05/78/13/453057813.db2.gz UHOWZXJSEIJPKL-LJQANCHMSA-N 2 1 345.487 1.810 20 0 EDADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000652889470 453057821 /nfs/dbraw/zinc/05/78/21/453057821.db2.gz UHOWZXJSEIJPKL-LJQANCHMSA-N 2 1 345.487 1.810 20 0 EDADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000652889470 453057833 /nfs/dbraw/zinc/05/78/33/453057833.db2.gz UHOWZXJSEIJPKL-LJQANCHMSA-N 2 1 345.487 1.810 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000646061877 453075474 /nfs/dbraw/zinc/07/54/74/453075474.db2.gz XOJXFSCIJLBYCZ-UHFFFAOYSA-N 2 1 344.503 1.084 20 0 EDADMP C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662399621 453110881 /nfs/dbraw/zinc/11/08/81/453110881.db2.gz XVPYQJCPMABMGM-ZWNOBZJWSA-N 2 1 326.238 1.517 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662399621 453110888 /nfs/dbraw/zinc/11/08/88/453110888.db2.gz XVPYQJCPMABMGM-ZWNOBZJWSA-N 2 1 326.238 1.517 20 0 EDADMP C[N@@H+](CCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000662402481 453112698 /nfs/dbraw/zinc/11/26/98/453112698.db2.gz KXZQLEPKLROYTR-OAHLLOKOSA-N 2 1 327.432 1.348 20 0 EDADMP [NH3+][C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000662405800 453116281 /nfs/dbraw/zinc/11/62/81/453116281.db2.gz RQNNWLOOOHUPQP-MFKMUULPSA-N 2 1 326.238 1.565 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662414744 453125038 /nfs/dbraw/zinc/12/50/38/453125038.db2.gz YGMFBOSSXFAPCB-MFKMUULPSA-N 2 1 326.238 1.517 20 0 EDADMP Cc1cc(C[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[nH]n1 ZINC000664475502 453127665 /nfs/dbraw/zinc/12/76/65/453127665.db2.gz PHJHLXGFVSMQFV-HIFRSBDPSA-N 2 1 338.500 1.220 20 0 EDADMP Cc1cc(C[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[nH]n1 ZINC000664475502 453127674 /nfs/dbraw/zinc/12/76/74/453127674.db2.gz PHJHLXGFVSMQFV-HIFRSBDPSA-N 2 1 338.500 1.220 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@]3(CC)CCOC3)CC2)CC1 ZINC000655025086 453147129 /nfs/dbraw/zinc/14/71/29/453147129.db2.gz JOAZMFYLTVTCRH-IBGZPJMESA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000650994490 453170640 /nfs/dbraw/zinc/17/06/40/453170640.db2.gz NVTDBJIAVUYZSW-UHFFFAOYSA-N 2 1 341.544 1.290 20 0 EDADMP CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@H]1CCCO1 ZINC000664532012 453170694 /nfs/dbraw/zinc/17/06/94/453170694.db2.gz NKPYSWVOOPAQRL-ARFHVFGLSA-N 2 1 328.501 1.515 20 0 EDADMP CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@H]1CCCO1 ZINC000664532012 453170706 /nfs/dbraw/zinc/17/07/06/453170706.db2.gz NKPYSWVOOPAQRL-ARFHVFGLSA-N 2 1 328.501 1.515 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000646185864 453198231 /nfs/dbraw/zinc/19/82/31/453198231.db2.gz NSSATGMJYCTGAC-KRWDZBQOSA-N 2 1 327.432 1.849 20 0 EDADMP CC[C@@H](NC(=O)[C@H](CC)[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662501455 453217699 /nfs/dbraw/zinc/21/76/99/453217699.db2.gz AQDVKDKUMIQWEO-SQNIBIBYSA-N 2 1 333.476 1.780 20 0 EDADMP CC[C@@H](NC(=O)[C@H](CC)[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662501455 453217706 /nfs/dbraw/zinc/21/77/06/453217706.db2.gz AQDVKDKUMIQWEO-SQNIBIBYSA-N 2 1 333.476 1.780 20 0 EDADMP CO[C@H]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664583779 453219383 /nfs/dbraw/zinc/21/93/83/453219383.db2.gz GCLVADHPVKZORM-XHSDSOJGSA-N 2 1 328.501 1.373 20 0 EDADMP CO[C@H]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664583779 453219389 /nfs/dbraw/zinc/21/93/89/453219389.db2.gz GCLVADHPVKZORM-XHSDSOJGSA-N 2 1 328.501 1.373 20 0 EDADMP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000662505498 453221356 /nfs/dbraw/zinc/22/13/56/453221356.db2.gz MSEVAKWQSXVPBV-CKEIUWERSA-N 2 1 343.475 1.576 20 0 EDADMP C[NH+](C)CCCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662523172 453241249 /nfs/dbraw/zinc/24/12/49/453241249.db2.gz JODXLPTYXADKBE-UHFFFAOYSA-N 2 1 332.267 1.795 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662527645 453249458 /nfs/dbraw/zinc/24/94/58/453249458.db2.gz XGVSWMWZXUXEPQ-IBGZPJMESA-N 2 1 344.503 1.611 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC[N@H+]1C ZINC000648798264 453282668 /nfs/dbraw/zinc/28/26/68/453282668.db2.gz YPSQVUWDXLNJOR-IAGOWNOFSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000646320112 453317641 /nfs/dbraw/zinc/31/76/41/453317641.db2.gz VWHVCFPKWOSBJE-NXOAAHMSSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H](C(=O)N1CCC([NH+]2CCOC[C@H]2C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000646320113 453317798 /nfs/dbraw/zinc/31/77/98/453317798.db2.gz VWHVCFPKWOSBJE-TWMKSMIVSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000646320113 453317803 /nfs/dbraw/zinc/31/78/03/453317803.db2.gz VWHVCFPKWOSBJE-TWMKSMIVSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000646320113 453317809 /nfs/dbraw/zinc/31/78/09/453317809.db2.gz VWHVCFPKWOSBJE-TWMKSMIVSA-N 2 1 337.508 1.959 20 0 EDADMP CN(Cc1cnc[nH]1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000660512414 453361411 /nfs/dbraw/zinc/36/14/11/453361411.db2.gz OMURAPRTORAGNP-UHFFFAOYSA-N 2 1 331.420 1.692 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000664759165 453383477 /nfs/dbraw/zinc/38/34/77/453383477.db2.gz NTFMNWYGAIOTDP-KRWDZBQOSA-N 2 1 339.528 1.186 20 0 EDADMP C[NH+](C)CCCCNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662683699 453404529 /nfs/dbraw/zinc/40/45/29/453404529.db2.gz RQEOXWMLANSPAV-CYBMUJFWSA-N 2 1 328.254 1.907 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000662720514 453445272 /nfs/dbraw/zinc/44/52/72/453445272.db2.gz GAJYRGLAWSFORH-IRXDYDNUSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000664896925 453469664 /nfs/dbraw/zinc/46/96/64/453469664.db2.gz PKIFSWBKTHNGHB-WMZOPIPTSA-N 2 1 347.507 1.052 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000664896925 453469671 /nfs/dbraw/zinc/46/96/71/453469671.db2.gz PKIFSWBKTHNGHB-WMZOPIPTSA-N 2 1 347.507 1.052 20 0 EDADMP CC(C)[NH2+]CCC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662744546 453472339 /nfs/dbraw/zinc/47/23/39/453472339.db2.gz PWLKVMSTUQPFMP-SFHVURJKSA-N 2 1 332.492 1.307 20 0 EDADMP CC(C)[NH2+]CCC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662744546 453472350 /nfs/dbraw/zinc/47/23/50/453472350.db2.gz PWLKVMSTUQPFMP-SFHVURJKSA-N 2 1 332.492 1.307 20 0 EDADMP C[N@@H+](CCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000662750141 453481739 /nfs/dbraw/zinc/48/17/39/453481739.db2.gz RZNXYIXJAHYQSL-OAHLLOKOSA-N 2 1 347.356 1.916 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662791215 453526199 /nfs/dbraw/zinc/52/61/99/453526199.db2.gz OQWYZYZNHQVPQM-MRXNPFEDSA-N 2 1 334.508 1.277 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000660702267 453526366 /nfs/dbraw/zinc/52/63/66/453526366.db2.gz WZXSCXVBNFKBEQ-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000660702267 453526370 /nfs/dbraw/zinc/52/63/70/453526370.db2.gz WZXSCXVBNFKBEQ-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000660702267 453526377 /nfs/dbraw/zinc/52/63/77/453526377.db2.gz WZXSCXVBNFKBEQ-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000662799205 453534533 /nfs/dbraw/zinc/53/45/33/453534533.db2.gz UXNWPRIFHSYNTQ-QXSJWSMHSA-N 2 1 337.851 1.565 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000662799205 453534538 /nfs/dbraw/zinc/53/45/38/453534538.db2.gz UXNWPRIFHSYNTQ-QXSJWSMHSA-N 2 1 337.851 1.565 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662825509 453553141 /nfs/dbraw/zinc/55/31/41/453553141.db2.gz JDCBUPORSZGKCO-OAHLLOKOSA-N 2 1 348.495 1.354 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662825508 453553217 /nfs/dbraw/zinc/55/32/17/453553217.db2.gz JDCBUPORSZGKCO-HNNXBMFYSA-N 2 1 348.495 1.354 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000658989676 453569659 /nfs/dbraw/zinc/56/96/59/453569659.db2.gz SHOKRUOFYVFJGY-OAHLLOKOSA-N 2 1 347.463 1.337 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000658989676 453569664 /nfs/dbraw/zinc/56/96/64/453569664.db2.gz SHOKRUOFYVFJGY-OAHLLOKOSA-N 2 1 347.463 1.337 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662857468 453573243 /nfs/dbraw/zinc/57/32/43/453573243.db2.gz BJSBADSOSWQRIZ-SQNIBIBYSA-N 2 1 331.460 1.258 20 0 EDADMP CC[C@@]1(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CCC[NH2+]1 ZINC000662857898 453573690 /nfs/dbraw/zinc/57/36/90/453573690.db2.gz CRNDLRSCVHZTQU-MJGOQNOKSA-N 2 1 331.460 1.402 20 0 EDADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000660856340 453613430 /nfs/dbraw/zinc/61/34/30/453613430.db2.gz IZLCWWWCKNMGKJ-CQSZACIVSA-N 2 1 336.484 1.406 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)n1C ZINC000660856846 453615099 /nfs/dbraw/zinc/61/50/99/453615099.db2.gz YEIFALQIVHUOJO-AWEZNQCLSA-N 2 1 348.495 1.692 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)n1C ZINC000660856846 453615104 /nfs/dbraw/zinc/61/51/04/453615104.db2.gz YEIFALQIVHUOJO-AWEZNQCLSA-N 2 1 348.495 1.692 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000662940369 453615591 /nfs/dbraw/zinc/61/55/91/453615591.db2.gz MUPJSWLAGKHRPP-QUCCMNQESA-N 2 1 344.503 1.309 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000662940369 453615596 /nfs/dbraw/zinc/61/55/96/453615596.db2.gz MUPJSWLAGKHRPP-QUCCMNQESA-N 2 1 344.503 1.309 20 0 EDADMP COCCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000665232437 453617807 /nfs/dbraw/zinc/61/78/07/453617807.db2.gz MUMFDHHMTIERMF-ZBFHGGJFSA-N 2 1 345.443 1.774 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000665270645 453631106 /nfs/dbraw/zinc/63/11/06/453631106.db2.gz LDMFHFSUWPNAGH-IRXDYDNUSA-N 2 1 337.533 1.804 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000663003294 453643746 /nfs/dbraw/zinc/64/37/46/453643746.db2.gz LISKOHMVEKLLKM-DZGCQCFKSA-N 2 1 333.398 1.767 20 0 EDADMP C[C@@]1(C[NH3+])CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000659310795 453710800 /nfs/dbraw/zinc/71/08/00/453710800.db2.gz CXVUVNQKAZJYGW-ZDUSSCGKSA-N 2 1 344.278 1.925 20 0 EDADMP C[C@H]1[C@H](NC(=O)N(C)CC2C[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000661193916 453753876 /nfs/dbraw/zinc/75/38/76/453753876.db2.gz VEMCBMRVXQTCOF-MAUKXSAKSA-N 2 1 330.476 1.852 20 0 EDADMP CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665639106 453778879 /nfs/dbraw/zinc/77/88/79/453778879.db2.gz MMNLTVUHYKVJGF-HOTGVXAUSA-N 2 1 328.501 1.326 20 0 EDADMP CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665639106 453778881 /nfs/dbraw/zinc/77/88/81/453778881.db2.gz MMNLTVUHYKVJGF-HOTGVXAUSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[NH2+]1 ZINC000663512510 453813478 /nfs/dbraw/zinc/81/34/78/453813478.db2.gz NUMUHUPWEHETJE-ZACQAIPSSA-N 3 1 346.523 1.387 20 0 EDADMP CCNc1nc(NC(C)(C)C)nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000672238532 486671004 /nfs/dbraw/zinc/67/10/04/486671004.db2.gz XBBFAVIEVSYACA-KBPBESRZSA-N 2 1 347.511 1.856 20 0 EDADMP CCO[C@H]1C[C@]([NH3+])(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)C1(C)C ZINC000572839965 486734805 /nfs/dbraw/zinc/73/48/05/486734805.db2.gz FOGNVGSERIYWAD-KSSFIOAISA-N 2 1 349.479 1.038 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000672697794 486767734 /nfs/dbraw/zinc/76/77/34/486767734.db2.gz YKKHUNWPEFIJEH-MRXNPFEDSA-N 2 1 349.479 1.079 20 0 EDADMP O=C([C@@H]1CCc2nc[nH]c2C1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000667423930 486774508 /nfs/dbraw/zinc/77/45/08/486774508.db2.gz YKWFVEAKOXRDKC-HUUCEWRRSA-N 2 1 332.448 1.228 20 0 EDADMP O=C([C@@H]1CCc2[nH]cnc2C1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000667423930 486774513 /nfs/dbraw/zinc/77/45/13/486774513.db2.gz YKWFVEAKOXRDKC-HUUCEWRRSA-N 2 1 332.448 1.228 20 0 EDADMP O=C([C@@H]1CCc2[nH]cnc2C1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000667423930 486774519 /nfs/dbraw/zinc/77/45/19/486774519.db2.gz YKWFVEAKOXRDKC-HUUCEWRRSA-N 2 1 332.448 1.228 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](CCO)C(C)(C)C1)[N@H+]1CCCC[C@@H]1C ZINC000672723850 486777437 /nfs/dbraw/zinc/77/74/37/486777437.db2.gz NHGXCDYQCOJJTN-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000683820761 486828223 /nfs/dbraw/zinc/82/82/23/486828223.db2.gz YNWJFZZSSBDZDM-QGZVFWFLSA-N 2 1 344.459 1.543 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000683820761 486828232 /nfs/dbraw/zinc/82/82/32/486828232.db2.gz YNWJFZZSSBDZDM-QGZVFWFLSA-N 2 1 344.459 1.543 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000667812554 486978298 /nfs/dbraw/zinc/97/82/98/486978298.db2.gz PYMMXJHWGZGVJQ-HOTGVXAUSA-N 2 1 347.507 1.389 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000667812554 486978300 /nfs/dbraw/zinc/97/83/00/486978300.db2.gz PYMMXJHWGZGVJQ-HOTGVXAUSA-N 2 1 347.507 1.389 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000667812554 486978306 /nfs/dbraw/zinc/97/83/06/486978306.db2.gz PYMMXJHWGZGVJQ-HOTGVXAUSA-N 2 1 347.507 1.389 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681274428 486998472 /nfs/dbraw/zinc/99/84/72/486998472.db2.gz OUXLYXQMHGEWDN-WBVHZDCISA-N 2 1 338.540 1.780 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681274428 486998478 /nfs/dbraw/zinc/99/84/78/486998478.db2.gz OUXLYXQMHGEWDN-WBVHZDCISA-N 2 1 338.540 1.780 20 0 EDADMP O=C(c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1)N1CCOCC1 ZINC000677237127 487017735 /nfs/dbraw/zinc/01/77/35/487017735.db2.gz BOLKDDJRXQOHDL-OALUTQOASA-N 2 1 343.471 1.875 20 0 EDADMP O=C(c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1)N1CCOCC1 ZINC000677237127 487017740 /nfs/dbraw/zinc/01/77/40/487017740.db2.gz BOLKDDJRXQOHDL-OALUTQOASA-N 2 1 343.471 1.875 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C(=O)NCCn3ccnc3)CC2)CC1 ZINC000677649678 487142360 /nfs/dbraw/zinc/14/23/60/487142360.db2.gz LOEMLTNDYWBDNJ-UHFFFAOYSA-N 2 1 348.495 1.083 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000682295992 487341114 /nfs/dbraw/zinc/34/11/14/487341114.db2.gz TUXLFFBBIOJKFG-HIFRSBDPSA-N 2 1 341.415 1.216 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000682273690 487334129 /nfs/dbraw/zinc/33/41/29/487334129.db2.gz NGWKYNHTWCMMPT-INIZCTEOSA-N 2 1 344.459 1.561 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000682273690 487334132 /nfs/dbraw/zinc/33/41/32/487334132.db2.gz NGWKYNHTWCMMPT-INIZCTEOSA-N 2 1 344.459 1.561 20 0 EDADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000682660114 487402240 /nfs/dbraw/zinc/40/22/40/487402240.db2.gz GVNJPEIZUFLUIQ-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000682660114 487402241 /nfs/dbraw/zinc/40/22/41/487402241.db2.gz GVNJPEIZUFLUIQ-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000675771424 487442718 /nfs/dbraw/zinc/44/27/18/487442718.db2.gz QTCWIZZSETUMLK-INIZCTEOSA-N 2 1 347.459 1.385 20 0 EDADMP CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000675885873 487456628 /nfs/dbraw/zinc/45/66/28/487456628.db2.gz JJQOICFUOYNAQA-QZTJIDSGSA-N 2 1 325.497 1.188 20 0 EDADMP C[NH+](C)CCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000683198903 487459549 /nfs/dbraw/zinc/45/95/49/487459549.db2.gz UQSGOHJCCXFQSR-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(C)([NH3+])CC2)C[C@@H](C)O1 ZINC000668963004 485499075 /nfs/dbraw/zinc/49/90/75/485499075.db2.gz MXBIMIIEGPVBPM-ZIAGYGMSSA-N 2 1 326.485 1.397 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000669539462 485522230 /nfs/dbraw/zinc/52/22/30/485522230.db2.gz ASJRTKUADZZHBI-XHSDSOJGSA-N 2 1 326.485 1.112 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(N2CCCC2)[nH+]1 ZINC000669555648 485556350 /nfs/dbraw/zinc/55/63/50/485556350.db2.gz WXBXWWPXNFSLMN-IAGOWNOFSA-N 2 1 343.475 1.884 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(N2CCCC2)[nH+]1 ZINC000669555681 485557496 /nfs/dbraw/zinc/55/74/96/485557496.db2.gz ACAMWRAYLLQLCV-LJQANCHMSA-N 2 1 343.475 1.885 20 0 EDADMP [NH3+]C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000669570404 485589525 /nfs/dbraw/zinc/58/95/25/485589525.db2.gz GMPPMFOKTHLZST-ZWKOTPCHSA-N 2 1 346.475 1.268 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)cn1 ZINC000423762639 486014248 /nfs/dbraw/zinc/01/42/48/486014248.db2.gz SWMNZSBWIIGZIU-GOSISDBHSA-N 2 1 347.507 1.860 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)cn1 ZINC000423762639 486014254 /nfs/dbraw/zinc/01/42/54/486014254.db2.gz SWMNZSBWIIGZIU-GOSISDBHSA-N 2 1 347.507 1.860 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669388796 486024438 /nfs/dbraw/zinc/02/44/38/486024438.db2.gz QLHBNOZVFVVXAR-IRXDYDNUSA-N 2 1 340.512 1.376 20 0 EDADMP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000347934018 486029848 /nfs/dbraw/zinc/02/98/48/486029848.db2.gz RJAKLPBZMKFSMV-HNAYVOBHSA-N 2 1 347.507 1.794 20 0 EDADMP C[C@H]([NH3+])CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000669470804 486222859 /nfs/dbraw/zinc/22/28/59/486222859.db2.gz ZRCTWECXIZYDRL-AWEZNQCLSA-N 2 1 326.485 1.447 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC000670788377 486223021 /nfs/dbraw/zinc/22/30/21/486223021.db2.gz DAHZULAXABDWDC-QGZVFWFLSA-N 2 1 327.432 1.186 20 0 EDADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3C[NH+]4CCC[C@@H]4CO3)n2C)C[C@@H]1C ZINC000668931832 486357857 /nfs/dbraw/zinc/35/78/57/486357857.db2.gz PKJHLKBEHJGRQW-JONQDZQNSA-N 2 1 348.495 1.270 20 0 EDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2C)C[C@@H]1C ZINC000668931832 486357858 /nfs/dbraw/zinc/35/78/58/486357858.db2.gz PKJHLKBEHJGRQW-JONQDZQNSA-N 2 1 348.495 1.270 20 0 EDADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2C)C[C@@H]1C ZINC000668931832 486357860 /nfs/dbraw/zinc/35/78/60/486357860.db2.gz PKJHLKBEHJGRQW-JONQDZQNSA-N 2 1 348.495 1.270 20 0 EDADMP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000133016484 491218984 /nfs/dbraw/zinc/21/89/84/491218984.db2.gz WSLFKAPDLXMIMI-GXTWGEPZSA-N 2 1 326.485 1.314 20 0 EDADMP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000133016484 491218985 /nfs/dbraw/zinc/21/89/85/491218985.db2.gz WSLFKAPDLXMIMI-GXTWGEPZSA-N 2 1 326.485 1.314 20 0 EDADMP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000080157451 491172220 /nfs/dbraw/zinc/17/22/20/491172220.db2.gz GVAURCJUOVAPLW-CQSZACIVSA-N 2 1 333.436 1.063 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C[C@H]3CNc4ccnn4C3)cc2)C1 ZINC000668490359 491179957 /nfs/dbraw/zinc/17/99/57/491179957.db2.gz QHEFGLFNBLMSMS-ZWKOTPCHSA-N 2 1 341.459 1.281 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(S(=O)(=O)NC)c2)[C@H](C)C1 ZINC000131977881 527881813 /nfs/dbraw/zinc/88/18/13/527881813.db2.gz BXPUVALRXRQOKO-CJNGLKHVSA-N 2 1 325.478 1.415 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(S(=O)(=O)NC)c2)[C@H](C)C1 ZINC000131977881 527881817 /nfs/dbraw/zinc/88/18/17/527881817.db2.gz BXPUVALRXRQOKO-CJNGLKHVSA-N 2 1 325.478 1.415 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000187286202 528537272 /nfs/dbraw/zinc/53/72/72/528537272.db2.gz NZXAUUXKOZDWSB-SFHVURJKSA-N 2 1 348.491 1.264 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000187286202 528537278 /nfs/dbraw/zinc/53/72/78/528537278.db2.gz NZXAUUXKOZDWSB-SFHVURJKSA-N 2 1 348.491 1.264 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000187286202 528537283 /nfs/dbraw/zinc/53/72/83/528537283.db2.gz NZXAUUXKOZDWSB-SFHVURJKSA-N 2 1 348.491 1.264 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCNC(=O)CC2)CC1 ZINC000093101664 534934318 /nfs/dbraw/zinc/93/43/18/534934318.db2.gz XFWCLGPCVXJGOD-UHFFFAOYSA-N 2 1 330.476 1.541 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCNC(=O)CC2)CC1 ZINC000093101664 534934326 /nfs/dbraw/zinc/93/43/26/534934326.db2.gz XFWCLGPCVXJGOD-UHFFFAOYSA-N 2 1 330.476 1.541 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@@H](C)[NH3+])cc2)CC1 ZINC000261923728 535620879 /nfs/dbraw/zinc/62/08/79/535620879.db2.gz XWYKUEASMRMYJN-CQSZACIVSA-N 2 1 332.448 1.069 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC3CCC([NH3+])CC3)cc2F)CC1 ZINC000236995011 535744308 /nfs/dbraw/zinc/74/43/08/535744308.db2.gz GMPOKMWLNGPQIF-UHFFFAOYSA-N 2 1 348.466 1.967 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[NH2+][C@@H]3C)CC2)cn1 ZINC000333475925 536052320 /nfs/dbraw/zinc/05/23/20/536052320.db2.gz BKWLYSSFFRARJF-WBVHZDCISA-N 2 1 348.495 1.261 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[NH2+][C@@H]3C)CC2)cn1 ZINC000333475925 536052327 /nfs/dbraw/zinc/05/23/27/536052327.db2.gz BKWLYSSFFRARJF-WBVHZDCISA-N 2 1 348.495 1.261 20 0 EDADMP C[N@@H+](CCNC(=O)NCC1=CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC000271826870 536378160 /nfs/dbraw/zinc/37/81/60/536378160.db2.gz DKJHEGIVRMEEQW-UHFFFAOYSA-N 2 1 334.439 1.819 20 0 EDADMP C[NH+](CCNC(=O)NCC1=CC[N@H+](C)CC1)Cc1ccc(F)cc1 ZINC000271826870 536378164 /nfs/dbraw/zinc/37/81/64/536378164.db2.gz DKJHEGIVRMEEQW-UHFFFAOYSA-N 2 1 334.439 1.819 20 0 EDADMP C[NH+](CCNC(=O)NCC1=CC[N@@H+](C)CC1)Cc1ccc(F)cc1 ZINC000271826870 536378166 /nfs/dbraw/zinc/37/81/66/536378166.db2.gz DKJHEGIVRMEEQW-UHFFFAOYSA-N 2 1 334.439 1.819 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC2CCC([NH3+])CC2)C[C@@H]1Cc1ccccc1 ZINC000333749711 536404758 /nfs/dbraw/zinc/40/47/58/536404758.db2.gz YURPVCHVTQGOJR-ABHNRTSZSA-N 2 1 330.476 1.825 20 0 EDADMP C[N@H+]1CCN(C(=O)NC2CCC([NH3+])CC2)C[C@@H]1Cc1ccccc1 ZINC000333749711 536404762 /nfs/dbraw/zinc/40/47/62/536404762.db2.gz YURPVCHVTQGOJR-ABHNRTSZSA-N 2 1 330.476 1.825 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cn2)CC1 ZINC000247053566 536426948 /nfs/dbraw/zinc/42/69/48/536426948.db2.gz VDLZKZXMLGKWKU-ROUUACIJSA-N 2 1 344.507 1.145 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cn2)CC1 ZINC000247053566 536426951 /nfs/dbraw/zinc/42/69/51/536426951.db2.gz VDLZKZXMLGKWKU-ROUUACIJSA-N 2 1 344.507 1.145 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)[N@H+](C)C1 ZINC000346869434 536774011 /nfs/dbraw/zinc/77/40/11/536774011.db2.gz WKBGEPAHOFRQMB-VNQPRFMTSA-N 2 1 337.468 1.188 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)[N@@H+](C)C1 ZINC000346869434 536774017 /nfs/dbraw/zinc/77/40/17/536774017.db2.gz WKBGEPAHOFRQMB-VNQPRFMTSA-N 2 1 337.468 1.188 20 0 EDADMP COCC1(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH2+]CC1 ZINC000262398548 536810870 /nfs/dbraw/zinc/81/08/70/536810870.db2.gz QUFBCQSWURHDBJ-UHFFFAOYSA-N 2 1 337.489 1.239 20 0 EDADMP COCC1(C(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH2+]CC1 ZINC000262398548 536810872 /nfs/dbraw/zinc/81/08/72/536810872.db2.gz QUFBCQSWURHDBJ-UHFFFAOYSA-N 2 1 337.489 1.239 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000740884271 579388158 /nfs/dbraw/zinc/38/81/58/579388158.db2.gz SXNKOVLWMGEKCD-ZBFHGGJFSA-N 2 1 339.505 1.681 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000740884271 579388160 /nfs/dbraw/zinc/38/81/60/579388160.db2.gz SXNKOVLWMGEKCD-ZBFHGGJFSA-N 2 1 339.505 1.681 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000740884271 579388161 /nfs/dbraw/zinc/38/81/61/579388161.db2.gz SXNKOVLWMGEKCD-ZBFHGGJFSA-N 2 1 339.505 1.681 20 0 EDADMP CC[N@H+](CCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000726714707 578355904 /nfs/dbraw/zinc/35/59/04/578355904.db2.gz VLYHLDKBTXFCSQ-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000726714707 578355907 /nfs/dbraw/zinc/35/59/07/578355907.db2.gz VLYHLDKBTXFCSQ-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1)CC(F)(F)F ZINC000749118098 578506049 /nfs/dbraw/zinc/50/60/49/578506049.db2.gz XJCPOHFAYOZCAW-LSDHHAIUSA-N 2 1 337.430 1.649 20 0 EDADMP CC[NH+]1CCC(n2nccc2NC(=O)CC[NH+]2CCOCC2)CC1 ZINC000727385938 578527808 /nfs/dbraw/zinc/52/78/08/578527808.db2.gz OSMGNKVMBSUZIY-UHFFFAOYSA-N 2 1 335.452 1.201 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(c2ncc[nH]2)CC1 ZINC000729620036 578585272 /nfs/dbraw/zinc/58/52/72/578585272.db2.gz OZDFNSSJDQUFQN-CABCVRRESA-N 2 1 333.436 1.162 20 0 EDADMP CN(C(=O)CCCn1cccn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732559259 578717901 /nfs/dbraw/zinc/71/79/01/578717901.db2.gz JPTSJBNELXCQIZ-QGZVFWFLSA-N 2 1 333.480 1.290 20 0 EDADMP CN(C(=O)/C=C\c1cnn(C)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732559778 578717991 /nfs/dbraw/zinc/71/79/91/578717991.db2.gz RANKQSCCVQUWDQ-CHYADLBTSA-N 2 1 331.464 1.060 20 0 EDADMP COc1ccc(OC)c([C@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000760893140 580040683 /nfs/dbraw/zinc/04/06/83/580040683.db2.gz RVJONEJJJCFUGI-GOSISDBHSA-N 2 1 343.427 1.954 20 0 EDADMP C[NH+](C)CCCNC(=S)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000745179557 579541205 /nfs/dbraw/zinc/54/12/05/579541205.db2.gz ZBIXMELGWVBFMY-UHFFFAOYSA-N 2 1 337.493 1.425 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC000746566460 579601333 /nfs/dbraw/zinc/60/13/33/579601333.db2.gz FHLOWIFNJZFJCE-QGZVFWFLSA-N 2 1 336.480 1.931 20 0 EDADMP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)n1 ZINC000747676428 579653468 /nfs/dbraw/zinc/65/34/68/579653468.db2.gz WJCVBYUYDOCHLN-SJORKVTESA-N 2 1 346.475 1.497 20 0 EDADMP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)n1 ZINC000747676428 579653469 /nfs/dbraw/zinc/65/34/69/579653469.db2.gz WJCVBYUYDOCHLN-SJORKVTESA-N 2 1 346.475 1.497 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NC[C@@H]1CCCO1 ZINC000751011846 579791250 /nfs/dbraw/zinc/79/12/50/579791250.db2.gz PLVCHSFVRWUEED-HOTGVXAUSA-N 2 1 342.553 1.388 20 0 EDADMP Cc1cc(OCC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)no1 ZINC000756125005 579943989 /nfs/dbraw/zinc/94/39/89/579943989.db2.gz SOMQHZGWFCEDTO-XYPWUTKMSA-N 2 1 348.447 1.131 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000757024259 579962386 /nfs/dbraw/zinc/96/23/86/579962386.db2.gz PZFYLTQARYIMSV-LZLYRXPVSA-N 2 1 344.459 1.336 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000757024259 579962387 /nfs/dbraw/zinc/96/23/87/579962387.db2.gz PZFYLTQARYIMSV-LZLYRXPVSA-N 2 1 344.459 1.336 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000757024259 579962388 /nfs/dbraw/zinc/96/23/88/579962388.db2.gz PZFYLTQARYIMSV-LZLYRXPVSA-N 2 1 344.459 1.336 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000757024259 579962389 /nfs/dbraw/zinc/96/23/89/579962389.db2.gz PZFYLTQARYIMSV-LZLYRXPVSA-N 2 1 344.459 1.336 20 0 EDADMP CCNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000772974874 580324428 /nfs/dbraw/zinc/32/44/28/580324428.db2.gz BACQXTDNVSDBKD-DOTOQJQBSA-N 2 1 339.505 1.568 20 0 EDADMP CCNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000772974874 580324429 /nfs/dbraw/zinc/32/44/29/580324429.db2.gz BACQXTDNVSDBKD-DOTOQJQBSA-N 2 1 339.505 1.568 20 0 EDADMP Cc1ccccc1CNC(=O)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779648699 580492640 /nfs/dbraw/zinc/49/26/40/580492640.db2.gz FXNYZDKQVRRVCA-INIZCTEOSA-N 2 1 348.447 1.219 20 0 EDADMP Cc1ccccc1CNC(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779648699 580492641 /nfs/dbraw/zinc/49/26/41/580492641.db2.gz FXNYZDKQVRRVCA-INIZCTEOSA-N 2 1 348.447 1.219 20 0 EDADMP CC(C)c1noc([C@H](C)ONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000779652181 580493003 /nfs/dbraw/zinc/49/30/03/580493003.db2.gz MTQBTOVQGBGFAL-NWDGAFQWSA-N 2 1 325.413 1.862 20 0 EDADMP CC(C)c1noc([C@H](C)ONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000779652181 580493004 /nfs/dbraw/zinc/49/30/04/580493004.db2.gz MTQBTOVQGBGFAL-NWDGAFQWSA-N 2 1 325.413 1.862 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)CCCO)cc2)CC1 ZINC000799363657 581026535 /nfs/dbraw/zinc/02/65/35/581026535.db2.gz KEUPGLDFXNCNEF-UHFFFAOYSA-N 2 1 334.464 1.081 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)CCCO)cc2)CC1 ZINC000799363657 581026536 /nfs/dbraw/zinc/02/65/36/581026536.db2.gz KEUPGLDFXNCNEF-UHFFFAOYSA-N 2 1 334.464 1.081 20 0 EDADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000893237200 590726979 /nfs/dbraw/zinc/72/69/79/590726979.db2.gz FWASMWWMPSZDNO-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000893237200 590726980 /nfs/dbraw/zinc/72/69/80/590726980.db2.gz FWASMWWMPSZDNO-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000893237200 590726982 /nfs/dbraw/zinc/72/69/82/590726982.db2.gz FWASMWWMPSZDNO-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000892006109 590739462 /nfs/dbraw/zinc/73/94/62/590739462.db2.gz WOTVRRYDXZPNMX-BPQIPLTHSA-N 2 1 330.476 1.806 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000892025713 590756596 /nfs/dbraw/zinc/75/65/96/590756596.db2.gz ZGPLLYSQLMACOC-FHLIZLRMSA-N 2 1 330.476 1.791 20 0 EDADMP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000892051025 590772568 /nfs/dbraw/zinc/77/25/68/590772568.db2.gz KZDBDIQJUXNSCJ-GOSISDBHSA-N 2 1 330.476 1.814 20 0 EDADMP C[C@H]1C[N@@H+](CCCOC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CCO1 ZINC000893387030 590827227 /nfs/dbraw/zinc/82/72/27/590827227.db2.gz YTUFNTSSRLCFLG-YOEHRIQHSA-N 2 1 330.444 1.853 20 0 EDADMP C[C@H]1C[NH+](CCCOC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCO1 ZINC000893387030 590827230 /nfs/dbraw/zinc/82/72/30/590827230.db2.gz YTUFNTSSRLCFLG-YOEHRIQHSA-N 2 1 330.444 1.853 20 0 EDADMP C[C@H]1C[NH+](CCCOC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCO1 ZINC000893387030 590827234 /nfs/dbraw/zinc/82/72/34/590827234.db2.gz YTUFNTSSRLCFLG-YOEHRIQHSA-N 2 1 330.444 1.853 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)[C@H]1OC ZINC000893486587 590904183 /nfs/dbraw/zinc/90/41/83/590904183.db2.gz GANPFIPNQBAWPP-UAFMIMERSA-N 2 1 348.487 1.925 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000892331260 590957008 /nfs/dbraw/zinc/95/70/08/590957008.db2.gz URGIRNOBGOUFNE-SQNIBIBYSA-N 2 1 330.476 1.725 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)[C@H](c2ccccc2)C1 ZINC000892331260 590957012 /nfs/dbraw/zinc/95/70/12/590957012.db2.gz URGIRNOBGOUFNE-SQNIBIBYSA-N 2 1 330.476 1.725 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)[C@H](c2ccccc2)C1 ZINC000892331260 590957017 /nfs/dbraw/zinc/95/70/17/590957017.db2.gz URGIRNOBGOUFNE-SQNIBIBYSA-N 2 1 330.476 1.725 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000893606139 591004708 /nfs/dbraw/zinc/00/47/08/591004708.db2.gz NFFGIRZXNWYZDC-IBGZPJMESA-N 2 1 349.475 1.868 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000893606139 591004709 /nfs/dbraw/zinc/00/47/09/591004709.db2.gz NFFGIRZXNWYZDC-IBGZPJMESA-N 2 1 349.475 1.868 20 0 EDADMP CC1(C)CN(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC[N@H+]1CCO ZINC000892407089 591014698 /nfs/dbraw/zinc/01/46/98/591014698.db2.gz ULUIZSWBJKELNB-QGZVFWFLSA-N 2 1 348.491 1.045 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892455643 591034491 /nfs/dbraw/zinc/03/44/91/591034491.db2.gz JJQJFDBTUUBVOB-UHFFFAOYSA-N 2 1 337.512 1.068 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892484981 591044491 /nfs/dbraw/zinc/04/44/91/591044491.db2.gz RULQAKGOBGCHPJ-GJZGRUSLSA-N 2 1 340.512 1.251 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000892499379 591050737 /nfs/dbraw/zinc/05/07/37/591050737.db2.gz WNDKOLBMZQYDEF-CVEARBPZSA-N 2 1 338.496 1.271 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891405192 591067858 /nfs/dbraw/zinc/06/78/58/591067858.db2.gz DAPPYRFUUKOZDT-MAUKXSAKSA-N 2 1 340.431 1.660 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000891514759 591104310 /nfs/dbraw/zinc/10/43/10/591104310.db2.gz YWZJBVSYLCRSKS-VKJFTORMSA-N 2 1 338.496 1.256 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC3(C[NH3+])CCCCC3)C2)CC1 ZINC000891561256 591126003 /nfs/dbraw/zinc/12/60/03/591126003.db2.gz VXZILEXDHIEMKA-HNNXBMFYSA-N 2 1 337.512 1.116 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC3(C[NH3+])CCCCC3)C2)CC1 ZINC000891561256 591126005 /nfs/dbraw/zinc/12/60/05/591126005.db2.gz VXZILEXDHIEMKA-HNNXBMFYSA-N 2 1 337.512 1.116 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N(CC)[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000891565599 591127941 /nfs/dbraw/zinc/12/79/41/591127941.db2.gz QENCUZCIBIWRKS-ULQDDVLXSA-N 2 1 340.512 1.517 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cn1 ZINC000892764671 591166236 /nfs/dbraw/zinc/16/62/36/591166236.db2.gz WDJYHFGOXQDNNN-SCTDSRPQSA-N 2 1 345.491 1.056 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cn1 ZINC000892764669 591166343 /nfs/dbraw/zinc/16/63/43/591166343.db2.gz WDJYHFGOXQDNNN-JENIJYKNSA-N 2 1 345.491 1.056 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C[N@H+]1C1CC1 ZINC000891658912 591172175 /nfs/dbraw/zinc/17/21/75/591172175.db2.gz AUFBNUIOUCRSPY-XOKHGSTOSA-N 2 1 328.460 1.625 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892788322 591178826 /nfs/dbraw/zinc/17/88/26/591178826.db2.gz CBGBLWGGAHWDEX-ROUUACIJSA-N 2 1 330.476 1.825 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2[C@H](C(=O)OC)C2(F)F)C1 ZINC000894073276 591185548 /nfs/dbraw/zinc/18/55/48/591185548.db2.gz URIUSUVBLWXOCS-MGPQQGTHSA-N 2 1 334.407 1.473 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000892835760 591197988 /nfs/dbraw/zinc/19/79/88/591197988.db2.gz DZGUJZGTLJKRAX-INIZCTEOSA-N 2 1 338.496 1.272 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000894164012 591213311 /nfs/dbraw/zinc/21/33/11/591213311.db2.gz NYOKLNFHMQXBJI-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000892927392 591227739 /nfs/dbraw/zinc/22/77/39/591227739.db2.gz UFUALMCTZDSJSL-UHFFFAOYSA-N 2 1 340.512 1.600 20 0 EDADMP O=C(NCc1ccc(N2CCCCC2)nc1)C1CN([C@@H]2CCOC2)C1 ZINC000895742062 591262851 /nfs/dbraw/zinc/26/28/51/591262851.db2.gz WEETWODGGPLLEH-QGZVFWFLSA-N 2 1 344.459 1.409 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1nc2ncccc2nc1NC[C@@H]1CC[N@@H+]1C ZINC000895771100 591269661 /nfs/dbraw/zinc/26/96/61/591269661.db2.gz GNOZRRNGJOTGMQ-QWHCGFSZSA-N 2 1 327.436 1.257 20 0 EDADMP C[NH+]1CC[C@H]1CNc1nc2cccnc2nc1NC[C@H]1CC[N@@H+]1C ZINC000895771100 591269663 /nfs/dbraw/zinc/26/96/63/591269663.db2.gz GNOZRRNGJOTGMQ-QWHCGFSZSA-N 2 1 327.436 1.257 20 0 EDADMP C[NH+]1CC[C@H]1CNc1nc2cccnc2nc1NC[C@H]1CC[N@H+]1C ZINC000895771100 591269664 /nfs/dbraw/zinc/26/96/64/591269664.db2.gz GNOZRRNGJOTGMQ-QWHCGFSZSA-N 2 1 327.436 1.257 20 0 EDADMP COC(=O)[C@@H]1[C@H](CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1(F)F ZINC000894771037 591411454 /nfs/dbraw/zinc/41/14/54/591411454.db2.gz VXOMYHJPAXCJLK-KKUMJFAQSA-N 2 1 345.434 1.141 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1(F)F ZINC000894771037 591411458 /nfs/dbraw/zinc/41/14/58/591411458.db2.gz VXOMYHJPAXCJLK-KKUMJFAQSA-N 2 1 345.434 1.141 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1(F)F ZINC000894771037 591411461 /nfs/dbraw/zinc/41/14/61/591411461.db2.gz VXOMYHJPAXCJLK-KKUMJFAQSA-N 2 1 345.434 1.141 20 0 EDADMP CC1(C)CC[N@@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000898597161 591430025 /nfs/dbraw/zinc/43/00/25/591430025.db2.gz DACSXVSIBGBZEI-UHFFFAOYSA-N 2 1 331.464 1.645 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000897455808 591461155 /nfs/dbraw/zinc/46/11/55/591461155.db2.gz VSXHZUGXXQOHFZ-SJORKVTESA-N 2 1 338.496 1.082 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000897469668 591471033 /nfs/dbraw/zinc/47/10/33/591471033.db2.gz OJRNALJLMWJDKL-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000897500955 591504380 /nfs/dbraw/zinc/50/43/80/591504380.db2.gz JZIVWKKFAYPJKD-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCN1C)c1ccccc1 ZINC000896561543 591525000 /nfs/dbraw/zinc/52/50/00/591525000.db2.gz ADTBZCWVTIMGQJ-JQHSSLGASA-N 2 1 332.492 1.430 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C)c1ccccc1 ZINC000896561543 591525003 /nfs/dbraw/zinc/52/50/03/591525003.db2.gz ADTBZCWVTIMGQJ-JQHSSLGASA-N 2 1 332.492 1.430 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C)c1ccccc1 ZINC000896561543 591525007 /nfs/dbraw/zinc/52/50/07/591525007.db2.gz ADTBZCWVTIMGQJ-JQHSSLGASA-N 2 1 332.492 1.430 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896562232 591525826 /nfs/dbraw/zinc/52/58/26/591525826.db2.gz GEJNHKJOMLRVJY-IAGOWNOFSA-N 2 1 326.529 1.639 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N[C@H](C)[C@H]1CN(C)CCN1C ZINC000896562232 591525827 /nfs/dbraw/zinc/52/58/27/591525827.db2.gz GEJNHKJOMLRVJY-IAGOWNOFSA-N 2 1 326.529 1.639 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896562232 591525828 /nfs/dbraw/zinc/52/58/28/591525828.db2.gz GEJNHKJOMLRVJY-IAGOWNOFSA-N 2 1 326.529 1.639 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896562232 591525829 /nfs/dbraw/zinc/52/58/29/591525829.db2.gz GEJNHKJOMLRVJY-IAGOWNOFSA-N 2 1 326.529 1.639 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897545540 591545214 /nfs/dbraw/zinc/54/52/14/591545214.db2.gz PZYUCJPBCPLHRX-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897548718 591547556 /nfs/dbraw/zinc/54/75/56/591547556.db2.gz MQSTYIDZCJBVQS-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC1 ZINC000896626447 591553195 /nfs/dbraw/zinc/55/31/95/591553195.db2.gz VRQWEYXYWBQPCG-RTBURBONSA-N 2 1 345.487 1.860 20 0 EDADMP COCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000896626447 591553197 /nfs/dbraw/zinc/55/31/97/591553197.db2.gz VRQWEYXYWBQPCG-RTBURBONSA-N 2 1 345.487 1.860 20 0 EDADMP COCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000896626447 591553199 /nfs/dbraw/zinc/55/31/99/591553199.db2.gz VRQWEYXYWBQPCG-RTBURBONSA-N 2 1 345.487 1.860 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C1C[NH+](C2CCOCC2)C1 ZINC000899018746 591642889 /nfs/dbraw/zinc/64/28/89/591642889.db2.gz AKNSCVOIWQYRBQ-INIZCTEOSA-N 2 1 335.492 1.335 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897232235 591778646 /nfs/dbraw/zinc/77/86/46/591778646.db2.gz MOYRUUZAJRZMFI-SFHVURJKSA-N 2 1 329.444 1.400 20 0 EDADMP COc1c(C)c[nH+]c(Cn2cc(CC3(O)CC[NH2+]CC3)nn2)c1C ZINC000899744578 591931471 /nfs/dbraw/zinc/93/14/71/591931471.db2.gz XDANQEQEXPWGBD-UHFFFAOYSA-N 2 1 331.420 1.004 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000900210014 591944169 /nfs/dbraw/zinc/94/41/69/591944169.db2.gz WRUJYSBHGWIKBK-HZPDHXFCSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000900210014 591944171 /nfs/dbraw/zinc/94/41/71/591944171.db2.gz WRUJYSBHGWIKBK-HZPDHXFCSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000900210014 591944172 /nfs/dbraw/zinc/94/41/72/591944172.db2.gz WRUJYSBHGWIKBK-HZPDHXFCSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000900210014 591944174 /nfs/dbraw/zinc/94/41/74/591944174.db2.gz WRUJYSBHGWIKBK-HZPDHXFCSA-N 2 1 339.480 1.252 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000900285139 591971485 /nfs/dbraw/zinc/97/14/85/591971485.db2.gz IPRZMTRIMGMMKI-SJLPKXTDSA-N 2 1 337.439 1.391 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)C1 ZINC000902455281 591999321 /nfs/dbraw/zinc/99/93/21/591999321.db2.gz KMVRUXUDHSBBOM-GRYCIOLGSA-N 2 1 339.237 1.567 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000900406557 592010325 /nfs/dbraw/zinc/01/03/25/592010325.db2.gz IYBHDQVVEDFYGR-NSHGMRRFSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000900406557 592010327 /nfs/dbraw/zinc/01/03/27/592010327.db2.gz IYBHDQVVEDFYGR-NSHGMRRFSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000900406557 592010328 /nfs/dbraw/zinc/01/03/28/592010328.db2.gz IYBHDQVVEDFYGR-NSHGMRRFSA-N 2 1 345.487 1.470 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000900429215 592015413 /nfs/dbraw/zinc/01/54/13/592015413.db2.gz JLHYYRBXIMLRIC-AOCRQIFASA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nnc(C2CC2)o1 ZINC000900480120 592030188 /nfs/dbraw/zinc/03/01/88/592030188.db2.gz BZPUEQCTJXRNGO-CQSZACIVSA-N 2 1 335.452 1.435 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCO[C@@]34CCOC4)c2)CCO1 ZINC000903076082 592116285 /nfs/dbraw/zinc/11/62/85/592116285.db2.gz JPGZQOHXTNPHLP-LSTHTHJFSA-N 2 1 346.471 1.945 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCO[C@@]34CCOC4)c2)CCO1 ZINC000903076082 592116287 /nfs/dbraw/zinc/11/62/87/592116287.db2.gz JPGZQOHXTNPHLP-LSTHTHJFSA-N 2 1 346.471 1.945 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc3n(n1)CCC3)C2 ZINC000903113287 592123083 /nfs/dbraw/zinc/12/30/83/592123083.db2.gz VMJWDJYCHZCSFR-HMIGGYHTSA-N 2 1 332.492 1.960 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCN2Cc3ccccc3OCC2=O)CC1(C)C ZINC000903180611 592131386 /nfs/dbraw/zinc/13/13/86/592131386.db2.gz GFKYOKBCLLFGTP-INIZCTEOSA-N 2 1 331.460 1.870 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900867705 592161961 /nfs/dbraw/zinc/16/19/61/592161961.db2.gz CBCUVNOUVYZJPD-AOIWGVFYSA-N 2 1 331.460 1.174 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900867705 592161964 /nfs/dbraw/zinc/16/19/64/592161964.db2.gz CBCUVNOUVYZJPD-AOIWGVFYSA-N 2 1 331.460 1.174 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900867705 592161967 /nfs/dbraw/zinc/16/19/67/592161967.db2.gz CBCUVNOUVYZJPD-AOIWGVFYSA-N 2 1 331.460 1.174 20 0 EDADMP COC(=O)c1ccc(N2CC[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)[C@@H](C)C2)cc1 ZINC000903454671 592174304 /nfs/dbraw/zinc/17/43/04/592174304.db2.gz HXQPNKTYIOXPSR-VYDXJSESSA-N 2 1 331.460 1.839 20 0 EDADMP COC(=O)c1ccc(N2CC[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)[C@@H](C)C2)cc1 ZINC000903454671 592174307 /nfs/dbraw/zinc/17/43/07/592174307.db2.gz HXQPNKTYIOXPSR-VYDXJSESSA-N 2 1 331.460 1.839 20 0 EDADMP Cc1cccnc1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506287 592182407 /nfs/dbraw/zinc/18/24/07/592182407.db2.gz RMQGCKPTLWLJRH-CALCHBBNSA-N 2 1 343.475 1.229 20 0 EDADMP CC(C)(C)c1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)no1 ZINC000903525176 592197769 /nfs/dbraw/zinc/19/77/69/592197769.db2.gz BPNPQTCBWQESEF-PBHICJAKSA-N 2 1 334.464 1.709 20 0 EDADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CCN(CC[NH3+])CC3)CC2)oc1C ZINC000904361049 592238483 /nfs/dbraw/zinc/23/84/83/592238483.db2.gz TXZJSXAKMBYFNW-UHFFFAOYSA-N 3 1 349.523 1.516 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906657633 592238884 /nfs/dbraw/zinc/23/88/84/592238884.db2.gz NGFBCLPEJJXKBM-CZUORRHYSA-N 2 1 346.475 1.664 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906669110 592250947 /nfs/dbraw/zinc/25/09/47/592250947.db2.gz QCEICRUEGLIERD-INIZCTEOSA-N 2 1 346.475 1.760 20 0 EDADMP C[C@]1(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)CCC[NH2+]C1 ZINC000904432810 592254444 /nfs/dbraw/zinc/25/44/44/592254444.db2.gz GLVMGWHDGLWAMN-KRWDZBQOSA-N 2 1 343.537 1.656 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000901153499 592264078 /nfs/dbraw/zinc/26/40/78/592264078.db2.gz WSSREZUMMSKTCZ-SJLPKXTDSA-N 2 1 325.497 1.317 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000901153499 592264082 /nfs/dbraw/zinc/26/40/82/592264082.db2.gz WSSREZUMMSKTCZ-SJLPKXTDSA-N 2 1 325.497 1.317 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000901153499 592264084 /nfs/dbraw/zinc/26/40/84/592264084.db2.gz WSSREZUMMSKTCZ-SJLPKXTDSA-N 2 1 325.497 1.317 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000901157064 592266361 /nfs/dbraw/zinc/26/63/61/592266361.db2.gz KHXJFNOBRQDFLR-SUMDDJOVSA-N 2 1 335.492 1.309 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000901157064 592266363 /nfs/dbraw/zinc/26/63/63/592266363.db2.gz KHXJFNOBRQDFLR-SUMDDJOVSA-N 2 1 335.492 1.309 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000901157064 592266366 /nfs/dbraw/zinc/26/63/66/592266366.db2.gz KHXJFNOBRQDFLR-SUMDDJOVSA-N 2 1 335.492 1.309 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904505007 592273530 /nfs/dbraw/zinc/27/35/30/592273530.db2.gz VRRXOTNHCOFSCN-ROUUACIJSA-N 2 1 344.459 1.395 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000906709153 592281081 /nfs/dbraw/zinc/28/10/81/592281081.db2.gz LFTQUBOAEZRCGI-ROUUACIJSA-N 2 1 336.524 1.347 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000906709153 592281089 /nfs/dbraw/zinc/28/10/89/592281089.db2.gz LFTQUBOAEZRCGI-ROUUACIJSA-N 2 1 336.524 1.347 20 0 EDADMP c1ccc(C[NH+]2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903733550 592296929 /nfs/dbraw/zinc/29/69/29/592296929.db2.gz NQPGZZXONHUQIM-IBGZPJMESA-N 2 1 329.488 1.963 20 0 EDADMP c1ccc(NC[C@@H]2CC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)nc1 ZINC000903742627 592304760 /nfs/dbraw/zinc/30/47/60/592304760.db2.gz YHPDKALWIJQRLO-DLBZAZTESA-N 2 1 330.476 1.974 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1CC(F)(F)F ZINC000903759889 592307102 /nfs/dbraw/zinc/30/71/02/592307102.db2.gz SUCHFHFHQYOVQQ-ZIAGYGMSSA-N 2 1 335.414 1.714 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1CC(F)(F)F ZINC000903759889 592307104 /nfs/dbraw/zinc/30/71/04/592307104.db2.gz SUCHFHFHQYOVQQ-ZIAGYGMSSA-N 2 1 335.414 1.714 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000908104970 592321265 /nfs/dbraw/zinc/32/12/65/592321265.db2.gz APFKNQAHMRTRPF-SOAMZJECSA-N 2 1 345.487 1.641 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000908104970 592321272 /nfs/dbraw/zinc/32/12/72/592321272.db2.gz APFKNQAHMRTRPF-SOAMZJECSA-N 2 1 345.487 1.641 20 0 EDADMP COC(=O)c1ccccc1OCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818571 592332245 /nfs/dbraw/zinc/33/22/45/592332245.db2.gz PBTSELMPJFCTAB-UHFFFAOYSA-N 2 1 348.443 1.697 20 0 EDADMP COC(=O)c1ccccc1OCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818571 592332250 /nfs/dbraw/zinc/33/22/50/592332250.db2.gz PBTSELMPJFCTAB-UHFFFAOYSA-N 2 1 348.443 1.697 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903862891 592349188 /nfs/dbraw/zinc/34/91/88/592349188.db2.gz FMRDVMLEQFSKMX-LJQANCHMSA-N 2 1 327.428 1.891 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903862891 592349191 /nfs/dbraw/zinc/34/91/91/592349191.db2.gz FMRDVMLEQFSKMX-LJQANCHMSA-N 2 1 327.428 1.891 20 0 EDADMP OCC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000903891970 592352184 /nfs/dbraw/zinc/35/21/84/592352184.db2.gz FAUKRWJESUQMMJ-VQIMIIECSA-N 2 1 341.459 1.684 20 0 EDADMP OCC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000903891970 592352189 /nfs/dbraw/zinc/35/21/89/592352189.db2.gz FAUKRWJESUQMMJ-VQIMIIECSA-N 2 1 341.459 1.684 20 0 EDADMP c1cnn(CC2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000903891512 592352336 /nfs/dbraw/zinc/35/23/36/592352336.db2.gz BIDZSJWDMMNPCB-INIZCTEOSA-N 2 1 329.452 1.311 20 0 EDADMP c1csc(C[NH+]2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000903876162 592356424 /nfs/dbraw/zinc/35/64/24/592356424.db2.gz FAVLJBWJKNCIOC-HNNXBMFYSA-N 2 1 346.504 1.582 20 0 EDADMP COc1ccccc1C[N@H+](CCO)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903884931 592363352 /nfs/dbraw/zinc/36/33/52/592363352.db2.gz IKPSTAKJEXKSOY-MRXNPFEDSA-N 2 1 346.475 1.349 20 0 EDADMP COc1ccccc1C[N@@H+](CCO)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903884931 592363357 /nfs/dbraw/zinc/36/33/57/592363357.db2.gz IKPSTAKJEXKSOY-MRXNPFEDSA-N 2 1 346.475 1.349 20 0 EDADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903898733 592369697 /nfs/dbraw/zinc/36/96/97/592369697.db2.gz OETCBUBLKZYBRY-HOTGVXAUSA-N 2 1 349.479 1.758 20 0 EDADMP Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899368 592370653 /nfs/dbraw/zinc/37/06/53/592370653.db2.gz TWXFICOQDLVLEL-WMZOPIPTSA-N 2 1 330.480 1.515 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000903909507 592374577 /nfs/dbraw/zinc/37/45/77/592374577.db2.gz VODQPOVNNNGBOY-RHSMWYFYSA-N 2 1 328.420 1.251 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000903909507 592374580 /nfs/dbraw/zinc/37/45/80/592374580.db2.gz VODQPOVNNNGBOY-RHSMWYFYSA-N 2 1 328.420 1.251 20 0 EDADMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903912271 592375027 /nfs/dbraw/zinc/37/50/27/592375027.db2.gz CJMGPNFTAQGAFH-GJZGRUSLSA-N 2 1 329.452 1.316 20 0 EDADMP [NH3+][C@@H](C[NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)CC(F)F ZINC000903926836 592380571 /nfs/dbraw/zinc/38/05/71/592380571.db2.gz UTAAWTMATSCJLU-CHWSQXEVSA-N 2 1 327.375 1.238 20 0 EDADMP COc1ccc2c(c1)CC[N@@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903933378 592385463 /nfs/dbraw/zinc/38/54/63/592385463.db2.gz PUIWBLBBMPHJBQ-HNNXBMFYSA-N 2 1 328.460 1.913 20 0 EDADMP COc1ccc2c(c1)CC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903933378 592385467 /nfs/dbraw/zinc/38/54/67/592385467.db2.gz PUIWBLBBMPHJBQ-HNNXBMFYSA-N 2 1 328.460 1.913 20 0 EDADMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955123 592396011 /nfs/dbraw/zinc/39/60/11/592396011.db2.gz KYGIHBMGNRCAFY-OAHLLOKOSA-N 3 1 327.419 1.961 20 0 EDADMP CC[C@@](O)(C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C(F)(F)F ZINC000905107481 592408963 /nfs/dbraw/zinc/40/89/63/592408963.db2.gz ZLZPXQKCQYXIQP-CQSZACIVSA-N 2 1 339.402 1.222 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)CC1(O)CCCC1)C2 ZINC000905496378 592553787 /nfs/dbraw/zinc/55/37/87/592553787.db2.gz SCZFICBYKOLDTC-DZVNLGKHSA-N 2 1 340.508 1.112 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCC(=O)OC)[C@H](C)C2)C1 ZINC000907213046 592565646 /nfs/dbraw/zinc/56/56/46/592565646.db2.gz AOAPIGJPFYSJRQ-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCC(=O)OC)[C@H](C)C2)C1 ZINC000907213046 592565648 /nfs/dbraw/zinc/56/56/48/592565648.db2.gz AOAPIGJPFYSJRQ-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](CCC(=O)OC)[C@H](C)C2)C1 ZINC000907213046 592565649 /nfs/dbraw/zinc/56/56/49/592565649.db2.gz AOAPIGJPFYSJRQ-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@@H+](CCC(=O)OC)[C@H](C)C2)C1 ZINC000907213046 592565651 /nfs/dbraw/zinc/56/56/51/592565651.db2.gz AOAPIGJPFYSJRQ-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP Cc1cc(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000905560106 592566685 /nfs/dbraw/zinc/56/66/85/592566685.db2.gz INLQOULLIJCOAF-IBGZPJMESA-N 2 1 328.460 1.498 20 0 EDADMP Cc1cc(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000905560106 592566688 /nfs/dbraw/zinc/56/66/88/592566688.db2.gz INLQOULLIJCOAF-IBGZPJMESA-N 2 1 328.460 1.498 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000907377252 592617368 /nfs/dbraw/zinc/61/73/68/592617368.db2.gz HTZHOVFSTUZXFR-UHFFFAOYSA-N 2 1 338.540 1.641 20 0 EDADMP [NH3+]C1CC[NH+](CCNc2ccc3nnc(-c4ccsc4)n3n2)CC1 ZINC000905705577 592617635 /nfs/dbraw/zinc/61/76/35/592617635.db2.gz JRJBMAVMRNAQAO-UHFFFAOYSA-N 2 1 343.460 1.688 20 0 EDADMP CCn1c([C@@H]2CCC[NH+](C)[C@@H]2C)nnc1N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000908845300 592634860 /nfs/dbraw/zinc/63/48/60/592634860.db2.gz PHBYAWQBBMKTRA-YYAJDYIMSA-N 2 1 346.523 1.884 20 0 EDADMP CCn1c([C@@H]2CCC[N@H+](C)[C@@H]2C)nnc1N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000908845300 592634862 /nfs/dbraw/zinc/63/48/62/592634862.db2.gz PHBYAWQBBMKTRA-YYAJDYIMSA-N 2 1 346.523 1.884 20 0 EDADMP CCn1c([C@@H]2CCC[N@@H+](C)[C@@H]2C)nnc1N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000908845300 592634866 /nfs/dbraw/zinc/63/48/66/592634866.db2.gz PHBYAWQBBMKTRA-YYAJDYIMSA-N 2 1 346.523 1.884 20 0 EDADMP CCOC(=O)[C@H]1CCCN(CC(=O)N[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000907433144 592647619 /nfs/dbraw/zinc/64/76/19/592647619.db2.gz SAHGOCSCOPIZBP-HOTGVXAUSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000907433144 592647622 /nfs/dbraw/zinc/64/76/22/592647622.db2.gz SAHGOCSCOPIZBP-HOTGVXAUSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000907433144 592647625 /nfs/dbraw/zinc/64/76/25/592647625.db2.gz SAHGOCSCOPIZBP-HOTGVXAUSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000907433144 592647628 /nfs/dbraw/zinc/64/76/28/592647628.db2.gz SAHGOCSCOPIZBP-HOTGVXAUSA-N 2 1 339.480 1.251 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000907806036 592789524 /nfs/dbraw/zinc/78/95/24/592789524.db2.gz QAKPRBMSIIRNDP-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000907806036 592789526 /nfs/dbraw/zinc/78/95/26/592789526.db2.gz QAKPRBMSIIRNDP-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000907806036 592789528 /nfs/dbraw/zinc/78/95/28/592789528.db2.gz QAKPRBMSIIRNDP-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000906385238 592814353 /nfs/dbraw/zinc/81/43/53/592814353.db2.gz IDWVPISWOVQSJY-PBHICJAKSA-N 2 1 330.432 1.587 20 0 EDADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C[C@@]3(O)CCC[N@@H+](C)C3)cccc21 ZINC000907844964 592824796 /nfs/dbraw/zinc/82/47/96/592824796.db2.gz VEYHUQAGKYCVRK-APWZRJJASA-N 2 1 347.459 1.857 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000911853281 593026982 /nfs/dbraw/zinc/02/69/82/593026982.db2.gz ZBYZJOYMVSBHNN-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000911853281 593026983 /nfs/dbraw/zinc/02/69/83/593026983.db2.gz ZBYZJOYMVSBHNN-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)C[C@H](C)O1 ZINC000911853281 593026984 /nfs/dbraw/zinc/02/69/84/593026984.db2.gz ZBYZJOYMVSBHNN-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[N@H+]2C)C[C@H](C)O1 ZINC000911853281 593026985 /nfs/dbraw/zinc/02/69/85/593026985.db2.gz ZBYZJOYMVSBHNN-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP CC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000912406848 593093705 /nfs/dbraw/zinc/09/37/05/593093705.db2.gz FNXVCUDUHPJLAB-SZMVWBNQSA-N 2 1 349.523 1.992 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@H]2COCC23OCCO3)[C@H](C)C1 ZINC000839175493 593271150 /nfs/dbraw/zinc/27/11/50/593271150.db2.gz QDQINDFYXYPDLO-OWCLPIDISA-N 2 1 326.481 1.722 20 0 EDADMP CC1CCC2(CC1)NC(=O)N(C[N@H+](C)CC1CC[NH+](C)CC1)C2=O ZINC000103462225 593303377 /nfs/dbraw/zinc/30/33/77/593303377.db2.gz VQJKHSPDJDTAGG-UHFFFAOYSA-N 2 1 336.480 1.718 20 0 EDADMP CC1CCC2(CC1)NC(=O)N(C[N@@H+](C)CC1CC[NH+](C)CC1)C2=O ZINC000103462225 593303380 /nfs/dbraw/zinc/30/33/80/593303380.db2.gz VQJKHSPDJDTAGG-UHFFFAOYSA-N 2 1 336.480 1.718 20 0 EDADMP CN(CCC[N@H+](C)Cc1cc(Br)nn1C)CC[NH+](C)C ZINC000809788907 593359085 /nfs/dbraw/zinc/35/90/85/593359085.db2.gz XHOAMKRPNAVKLI-UHFFFAOYSA-N 2 1 346.317 1.498 20 0 EDADMP CN(CCC[N@@H+](C)Cc1cc(Br)nn1C)CC[NH+](C)C ZINC000809788907 593359088 /nfs/dbraw/zinc/35/90/88/593359088.db2.gz XHOAMKRPNAVKLI-UHFFFAOYSA-N 2 1 346.317 1.498 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000819206163 593744214 /nfs/dbraw/zinc/74/42/14/593744214.db2.gz WEROMEBIKCSPGV-ZWKOTPCHSA-N 2 1 334.460 1.755 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000819206163 593744215 /nfs/dbraw/zinc/74/42/15/593744215.db2.gz WEROMEBIKCSPGV-ZWKOTPCHSA-N 2 1 334.460 1.755 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1=CC[N@@H+](C)CC1 ZINC000819219677 593744907 /nfs/dbraw/zinc/74/49/07/593744907.db2.gz FOMQTYPJPLSKLG-SUMWQHHRSA-N 2 1 338.473 1.364 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@](C)(O)c1ccco1 ZINC000820074120 593788711 /nfs/dbraw/zinc/78/87/11/593788711.db2.gz GNOZRMMHYFDZGB-WMLDXEAASA-N 2 1 340.468 1.058 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@](C)(O)c1ccco1 ZINC000820074120 593788712 /nfs/dbraw/zinc/78/87/12/593788712.db2.gz GNOZRMMHYFDZGB-WMLDXEAASA-N 2 1 340.468 1.058 20 0 EDADMP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823696808 593836824 /nfs/dbraw/zinc/83/68/24/593836824.db2.gz HFMLGQUXFUOAFT-SJORKVTESA-N 2 1 342.447 1.334 20 0 EDADMP Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@@H](O)C[NH+]2CCCCC2)[nH+]1 ZINC000822193409 594006615 /nfs/dbraw/zinc/00/66/15/594006615.db2.gz WPNIEGQSLQBSGX-CYBMUJFWSA-N 2 1 331.424 1.137 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000821369389 594030036 /nfs/dbraw/zinc/03/00/36/594030036.db2.gz SQNGDTJDQYIKEU-LSDHHAIUSA-N 2 1 329.485 1.534 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000821369389 594030037 /nfs/dbraw/zinc/03/00/37/594030037.db2.gz SQNGDTJDQYIKEU-LSDHHAIUSA-N 2 1 329.485 1.534 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000821369389 594030039 /nfs/dbraw/zinc/03/00/39/594030039.db2.gz SQNGDTJDQYIKEU-LSDHHAIUSA-N 2 1 329.485 1.534 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000821369389 594030041 /nfs/dbraw/zinc/03/00/41/594030041.db2.gz SQNGDTJDQYIKEU-LSDHHAIUSA-N 2 1 329.485 1.534 20 0 EDADMP Cc1ccccc1CN1CCO[C@H](CNC(=O)CN2CCCC2)C1 ZINC000825369586 594174468 /nfs/dbraw/zinc/17/44/68/594174468.db2.gz XUUGIAVFMVCYLF-GOSISDBHSA-N 2 1 331.460 1.408 20 0 EDADMP C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@H](O)C[NH+]1CCCC1 ZINC000823633726 594223397 /nfs/dbraw/zinc/22/33/97/594223397.db2.gz QXNGCUDIPUDVGF-HNNXBMFYSA-N 2 1 345.443 1.061 20 0 EDADMP C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@H](O)C[NH+]1CCCC1 ZINC000823633726 594223398 /nfs/dbraw/zinc/22/33/98/594223398.db2.gz QXNGCUDIPUDVGF-HNNXBMFYSA-N 2 1 345.443 1.061 20 0 EDADMP COCCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826156842 594353077 /nfs/dbraw/zinc/35/30/77/594353077.db2.gz WEICDMLLIZMZBP-UHFFFAOYSA-N 2 1 330.436 1.457 20 0 EDADMP [NH3+][C@H](CC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000826947111 594607693 /nfs/dbraw/zinc/60/76/93/594607693.db2.gz RWUIHJNPWGVEGV-LJQANCHMSA-N 2 1 344.503 1.438 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC000827137040 594646586 /nfs/dbraw/zinc/64/65/86/594646586.db2.gz IWHAKFFJHMYEGY-DJSILETISA-N 2 1 338.496 1.362 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC000827137040 594646588 /nfs/dbraw/zinc/64/65/88/594646588.db2.gz IWHAKFFJHMYEGY-DJSILETISA-N 2 1 338.496 1.362 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC000827137040 594646589 /nfs/dbraw/zinc/64/65/89/594646589.db2.gz IWHAKFFJHMYEGY-DJSILETISA-N 2 1 338.496 1.362 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)c3csc(CN)n3)cc2)CC1 ZINC000827241022 594655637 /nfs/dbraw/zinc/65/56/37/594655637.db2.gz QWWNPIDMMJJMON-UHFFFAOYSA-N 2 1 345.472 1.996 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)c3csc(C[NH3+])n3)cc2)CC1 ZINC000827241022 594655639 /nfs/dbraw/zinc/65/56/39/594655639.db2.gz QWWNPIDMMJJMON-UHFFFAOYSA-N 2 1 345.472 1.996 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3Cc3ccccn3)CC[C@H]21 ZINC000827309710 594660114 /nfs/dbraw/zinc/66/01/14/594660114.db2.gz HXTCHUQJGYHQRE-KBAYOESNSA-N 2 1 328.460 1.599 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3Cc3ccccn3)CC[C@H]21 ZINC000827309710 594660115 /nfs/dbraw/zinc/66/01/15/594660115.db2.gz HXTCHUQJGYHQRE-KBAYOESNSA-N 2 1 328.460 1.599 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)CC[C@H]21 ZINC000827309710 594660116 /nfs/dbraw/zinc/66/01/16/594660116.db2.gz HXTCHUQJGYHQRE-KBAYOESNSA-N 2 1 328.460 1.599 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)CC[C@H]21 ZINC000827309710 594660117 /nfs/dbraw/zinc/66/01/17/594660117.db2.gz HXTCHUQJGYHQRE-KBAYOESNSA-N 2 1 328.460 1.599 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@]3(F)CC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000831527747 594680885 /nfs/dbraw/zinc/68/08/85/594680885.db2.gz HVSLFJFSPWEPHK-LMMKCTJWSA-N 2 1 347.434 1.791 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@]3(F)CC[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000831527747 594680886 /nfs/dbraw/zinc/68/08/86/594680886.db2.gz HVSLFJFSPWEPHK-LMMKCTJWSA-N 2 1 347.434 1.791 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](O)[C@H]3C)cc2)CC1 ZINC000832215156 594735978 /nfs/dbraw/zinc/73/59/78/594735978.db2.gz QOONPQPYXXKVIV-CRAIPNDOSA-N 2 1 346.475 1.222 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](O)[C@H]3C)cc2)CC1 ZINC000832215156 594735979 /nfs/dbraw/zinc/73/59/79/594735979.db2.gz QOONPQPYXXKVIV-CRAIPNDOSA-N 2 1 346.475 1.222 20 0 EDADMP [NH3+]CCc1ccc(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000841930974 594984420 /nfs/dbraw/zinc/98/44/20/594984420.db2.gz GNTJIWHVIBQAOK-GOSISDBHSA-N 2 1 346.475 1.194 20 0 EDADMP CCc1ccc2c(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc(=O)oc2c1 ZINC000842474703 595114581 /nfs/dbraw/zinc/11/45/81/595114581.db2.gz CELFTZGRMQRMCI-KRWDZBQOSA-N 2 1 341.455 1.835 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000843073642 595281287 /nfs/dbraw/zinc/28/12/87/595281287.db2.gz SDHWBLVJPNWEPC-CJNGLKHVSA-N 2 1 328.403 1.825 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1C)C2 ZINC000843111157 595289040 /nfs/dbraw/zinc/28/90/40/595289040.db2.gz DKZBWCXGMOIBHS-KXBFYZLASA-N 2 1 347.434 1.812 20 0 EDADMP C[C@@H](O)c1ncc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])s1 ZINC000843122700 595292509 /nfs/dbraw/zinc/29/25/09/595292509.db2.gz SUZNUJWUYUFELM-NEPJUHHUSA-N 2 1 326.466 1.016 20 0 EDADMP C[C@@H](O)c1ncc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])s1 ZINC000843122700 595292510 /nfs/dbraw/zinc/29/25/10/595292510.db2.gz SUZNUJWUYUFELM-NEPJUHHUSA-N 2 1 326.466 1.016 20 0 EDADMP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000844178446 595293409 /nfs/dbraw/zinc/29/34/09/595293409.db2.gz VJLJNPHKNRUKIE-RBUKOAKNSA-N 2 1 345.487 1.436 20 0 EDADMP [NH3+]CCCCCCNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000844200209 595300746 /nfs/dbraw/zinc/30/07/46/595300746.db2.gz NWQBJRXGLUALDP-SFHVURJKSA-N 2 1 333.476 1.913 20 0 EDADMP [NH3+]CCCCCCNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000844200209 595300749 /nfs/dbraw/zinc/30/07/49/595300749.db2.gz NWQBJRXGLUALDP-SFHVURJKSA-N 2 1 333.476 1.913 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000844901474 595410559 /nfs/dbraw/zinc/41/05/59/595410559.db2.gz FSGDSGRDHJAFEJ-KURKYZTESA-N 3 1 341.459 1.986 20 0 EDADMP Cn1c(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cnc1Cl ZINC000848914844 595467518 /nfs/dbraw/zinc/46/75/18/595467518.db2.gz TXKMKELDLJJIDD-UHFFFAOYSA-N 2 1 327.860 1.155 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(Cc2ccccc2)no1 ZINC000849065862 595477083 /nfs/dbraw/zinc/47/70/83/595477083.db2.gz DTYYLYXSMKGWMR-HNNXBMFYSA-N 2 1 342.447 1.759 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](CO)CC1CCCC1 ZINC000849077274 595478649 /nfs/dbraw/zinc/47/86/49/595478649.db2.gz ZIYFIHUMFVTMFT-INIZCTEOSA-N 2 1 326.485 1.011 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC2=[NH+]CCCN2C)c1 ZINC000849111943 595483877 /nfs/dbraw/zinc/48/38/77/595483877.db2.gz MYBGHDAWIRXALT-UHFFFAOYSA-N 2 1 334.464 1.425 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000849515948 595556463 /nfs/dbraw/zinc/55/64/63/595556463.db2.gz IAURYHYNERPOTL-FGTMMUONSA-N 2 1 345.491 1.152 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849519161 595557047 /nfs/dbraw/zinc/55/70/47/595557047.db2.gz ILAHJZLHJAPZDR-ZWKOTPCHSA-N 2 1 347.507 1.398 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849519161 595557049 /nfs/dbraw/zinc/55/70/49/595557049.db2.gz ILAHJZLHJAPZDR-ZWKOTPCHSA-N 2 1 347.507 1.398 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849519161 595557052 /nfs/dbraw/zinc/55/70/52/595557052.db2.gz ILAHJZLHJAPZDR-ZWKOTPCHSA-N 2 1 347.507 1.398 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849531578 595559630 /nfs/dbraw/zinc/55/96/30/595559630.db2.gz DTOGBGZMMSWFPI-IRXDYDNUSA-N 2 1 335.496 1.304 20 0 EDADMP CCCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849531578 595559633 /nfs/dbraw/zinc/55/96/33/595559633.db2.gz DTOGBGZMMSWFPI-IRXDYDNUSA-N 2 1 335.496 1.304 20 0 EDADMP CCCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849531578 595559636 /nfs/dbraw/zinc/55/96/36/595559636.db2.gz DTOGBGZMMSWFPI-IRXDYDNUSA-N 2 1 335.496 1.304 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849607030 595592769 /nfs/dbraw/zinc/59/27/69/595592769.db2.gz SRBWCPYPZMFMRY-ULQDDVLXSA-N 2 1 333.480 1.008 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849607030 595592772 /nfs/dbraw/zinc/59/27/72/595592772.db2.gz SRBWCPYPZMFMRY-ULQDDVLXSA-N 2 1 333.480 1.008 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849607030 595592776 /nfs/dbraw/zinc/59/27/76/595592776.db2.gz SRBWCPYPZMFMRY-ULQDDVLXSA-N 2 1 333.480 1.008 20 0 EDADMP [NH3+][C@H](C(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1ccc(F)cc1F ZINC000852875320 595593173 /nfs/dbraw/zinc/59/31/73/595593173.db2.gz IICKAFSSSGRTKB-HNNXBMFYSA-N 2 1 335.358 1.724 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849608270 595594280 /nfs/dbraw/zinc/59/42/80/595594280.db2.gz NRPOWYPQNWQLKO-ZWKOTPCHSA-N 2 1 349.523 1.550 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849608270 595594284 /nfs/dbraw/zinc/59/42/84/595594284.db2.gz NRPOWYPQNWQLKO-ZWKOTPCHSA-N 2 1 349.523 1.550 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849608270 595594288 /nfs/dbraw/zinc/59/42/88/595594288.db2.gz NRPOWYPQNWQLKO-ZWKOTPCHSA-N 2 1 349.523 1.550 20 0 EDADMP C[NH+]1CCN(C[C@@H]([NH2+]C[C@H](O)c2ccccn2)c2ccccc2)CC1 ZINC000853097330 595663548 /nfs/dbraw/zinc/66/35/48/595663548.db2.gz BYBWJBSYEGFACO-UXHICEINSA-N 2 1 340.471 1.693 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(N)nc(Cl)c1 ZINC000855346322 595680935 /nfs/dbraw/zinc/68/09/35/595680935.db2.gz WUGXXMYGGKUITJ-NSHDSACASA-N 2 1 327.860 1.319 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(N)nc(Cl)c1 ZINC000855346322 595680940 /nfs/dbraw/zinc/68/09/40/595680940.db2.gz WUGXXMYGGKUITJ-NSHDSACASA-N 2 1 327.860 1.319 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC[C@H](C)[NH+](C)C ZINC000853472072 595761256 /nfs/dbraw/zinc/76/12/56/595761256.db2.gz UPEXQXNKZBAZKU-ZDUSSCGKSA-N 2 1 330.436 1.715 20 0 EDADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)s1 ZINC000850401409 595828307 /nfs/dbraw/zinc/82/83/07/595828307.db2.gz ZGTACRGOJMRTQU-INIZCTEOSA-N 2 1 327.494 1.862 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1CON=C(N)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000853685693 595855569 /nfs/dbraw/zinc/85/55/69/595855569.db2.gz NDCAFHZVILLQFI-CVEARBPZSA-N 2 1 326.485 1.857 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1CON=C(N)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000853685693 595855570 /nfs/dbraw/zinc/85/55/70/595855570.db2.gz NDCAFHZVILLQFI-CVEARBPZSA-N 2 1 326.485 1.857 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(N)=NOC[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000853685693 595855571 /nfs/dbraw/zinc/85/55/71/595855571.db2.gz NDCAFHZVILLQFI-CVEARBPZSA-N 2 1 326.485 1.857 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(N)=NOC[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000853685693 595855572 /nfs/dbraw/zinc/85/55/72/595855572.db2.gz NDCAFHZVILLQFI-CVEARBPZSA-N 2 1 326.485 1.857 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)N2CCOC[C@@H]2C2CC2)cc1 ZINC000859211764 596005615 /nfs/dbraw/zinc/00/56/15/596005615.db2.gz DORAVXHABXRZOL-LJQANCHMSA-N 2 1 345.487 1.817 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)N2CCOC[C@@H]2C2CC2)cc1 ZINC000859211764 596005619 /nfs/dbraw/zinc/00/56/19/596005619.db2.gz DORAVXHABXRZOL-LJQANCHMSA-N 2 1 345.487 1.817 20 0 EDADMP C[N@H+](CCn1cnc(Br)n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000852040606 596018811 /nfs/dbraw/zinc/01/88/11/596018811.db2.gz MLYPCJFZUDVBTN-FOSCPWQOSA-N 2 1 328.258 1.598 20 0 EDADMP C[N@@H+](CCn1cnc(Br)n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000852040606 596018814 /nfs/dbraw/zinc/01/88/14/596018814.db2.gz MLYPCJFZUDVBTN-FOSCPWQOSA-N 2 1 328.258 1.598 20 0 EDADMP C[NH+](CCn1cnc(Br)n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000852040606 596018819 /nfs/dbraw/zinc/01/88/19/596018819.db2.gz MLYPCJFZUDVBTN-FOSCPWQOSA-N 2 1 328.258 1.598 20 0 EDADMP C[NH+](CCn1cnc(Br)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000852040606 596018824 /nfs/dbraw/zinc/01/88/24/596018824.db2.gz MLYPCJFZUDVBTN-FOSCPWQOSA-N 2 1 328.258 1.598 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](O)C(F)(F)F)C2)ccn1 ZINC000856587511 596025602 /nfs/dbraw/zinc/02/56/02/596025602.db2.gz YVTRFSFQLDOIFA-HUUCEWRRSA-N 2 1 347.381 1.910 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](O)C(F)(F)F)C2)ccn1 ZINC000856587511 596025607 /nfs/dbraw/zinc/02/56/07/596025607.db2.gz YVTRFSFQLDOIFA-HUUCEWRRSA-N 2 1 347.381 1.910 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H](O)C(F)(F)F)C2)ccn1 ZINC000856587511 596025611 /nfs/dbraw/zinc/02/56/11/596025611.db2.gz YVTRFSFQLDOIFA-HUUCEWRRSA-N 2 1 347.381 1.910 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H](O)C(F)(F)F)C2)ccn1 ZINC000856587511 596025616 /nfs/dbraw/zinc/02/56/16/596025616.db2.gz YVTRFSFQLDOIFA-HUUCEWRRSA-N 2 1 347.381 1.910 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](O)C(F)(F)F)C2)ccn1 ZINC000856587508 596025785 /nfs/dbraw/zinc/02/57/85/596025785.db2.gz YVTRFSFQLDOIFA-CABCVRRESA-N 2 1 347.381 1.910 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](O)C(F)(F)F)C2)ccn1 ZINC000856587508 596025786 /nfs/dbraw/zinc/02/57/86/596025786.db2.gz YVTRFSFQLDOIFA-CABCVRRESA-N 2 1 347.381 1.910 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H](O)C(F)(F)F)C2)ccn1 ZINC000856587508 596025788 /nfs/dbraw/zinc/02/57/88/596025788.db2.gz YVTRFSFQLDOIFA-CABCVRRESA-N 2 1 347.381 1.910 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H](O)C(F)(F)F)C2)ccn1 ZINC000856587508 596025790 /nfs/dbraw/zinc/02/57/90/596025790.db2.gz YVTRFSFQLDOIFA-CABCVRRESA-N 2 1 347.381 1.910 20 0 EDADMP COC(C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1)OC ZINC000856603915 596031425 /nfs/dbraw/zinc/03/14/25/596031425.db2.gz HDGNLNNDBZETIZ-QGZVFWFLSA-N 2 1 337.464 1.994 20 0 EDADMP COC(C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1)OC ZINC000856603915 596031429 /nfs/dbraw/zinc/03/14/29/596031429.db2.gz HDGNLNNDBZETIZ-QGZVFWFLSA-N 2 1 337.464 1.994 20 0 EDADMP COC(C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)OC ZINC000856603915 596031433 /nfs/dbraw/zinc/03/14/33/596031433.db2.gz HDGNLNNDBZETIZ-QGZVFWFLSA-N 2 1 337.464 1.994 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C(C)C ZINC000861570411 596032395 /nfs/dbraw/zinc/03/23/95/596032395.db2.gz PKUFSDCKTNPYBL-STQMWFEESA-N 2 1 338.418 1.885 20 0 EDADMP CCCCCC[C@](O)(C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)C(=O)OC ZINC000852078055 596036103 /nfs/dbraw/zinc/03/61/03/596036103.db2.gz JTAJWPCVDLSROZ-ROUUACIJSA-N 2 1 326.481 1.889 20 0 EDADMP CCCCCC[C@](O)(C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)C(=O)OC ZINC000852078055 596036107 /nfs/dbraw/zinc/03/61/07/596036107.db2.gz JTAJWPCVDLSROZ-ROUUACIJSA-N 2 1 326.481 1.889 20 0 EDADMP CCCCCC[C@](O)(C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)C(=O)OC ZINC000852078055 596036111 /nfs/dbraw/zinc/03/61/11/596036111.db2.gz JTAJWPCVDLSROZ-ROUUACIJSA-N 2 1 326.481 1.889 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)C1 ZINC000857123180 596163532 /nfs/dbraw/zinc/16/35/32/596163532.db2.gz HYOKSDJBQGHTNA-RTBURBONSA-N 2 1 345.487 1.946 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857123180 596163533 /nfs/dbraw/zinc/16/35/33/596163533.db2.gz HYOKSDJBQGHTNA-RTBURBONSA-N 2 1 345.487 1.946 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857123180 596163536 /nfs/dbraw/zinc/16/35/36/596163536.db2.gz HYOKSDJBQGHTNA-RTBURBONSA-N 2 1 345.487 1.946 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000866527208 596242455 /nfs/dbraw/zinc/24/24/55/596242455.db2.gz WIYVWFXFNJHCQY-ZBFHGGJFSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000866527208 596242456 /nfs/dbraw/zinc/24/24/56/596242456.db2.gz WIYVWFXFNJHCQY-ZBFHGGJFSA-N 2 1 325.497 1.865 20 0 EDADMP CCc1nc(N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc(C)[nH+]1 ZINC000864563299 596265994 /nfs/dbraw/zinc/26/59/94/596265994.db2.gz AWXCUOZMDOYLJO-KGLIPLIRSA-N 2 1 331.420 1.109 20 0 EDADMP Cc1cccnc1NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000866666680 596285229 /nfs/dbraw/zinc/28/52/29/596285229.db2.gz UTJZMCPLGMENSP-WBVHZDCISA-N 2 1 332.448 1.547 20 0 EDADMP Cc1ccc([C@H](O)[C@@H](C)n2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000864631996 596291364 /nfs/dbraw/zinc/29/13/64/596291364.db2.gz SJWBPDMDICLLEQ-DNVCBOLYSA-N 2 1 343.475 1.847 20 0 EDADMP C[NH+](C)CCC[N@H+](C)CCn1cc(C[C@@H](O)c2ccccc2)nn1 ZINC000864645578 596295276 /nfs/dbraw/zinc/29/52/76/596295276.db2.gz FQESKWSRSKRTFJ-GOSISDBHSA-N 2 1 331.464 1.438 20 0 EDADMP C[NH+](C)CCC[N@@H+](C)CCn1cc(C[C@@H](O)c2ccccc2)nn1 ZINC000864645578 596295278 /nfs/dbraw/zinc/29/52/78/596295278.db2.gz FQESKWSRSKRTFJ-GOSISDBHSA-N 2 1 331.464 1.438 20 0 EDADMP COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866709557 596303117 /nfs/dbraw/zinc/30/31/17/596303117.db2.gz SAWNVXMQXLSGKW-KBXCAEBGSA-N 2 1 339.480 1.237 20 0 EDADMP Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)C2=O)cn1 ZINC000866709040 596303295 /nfs/dbraw/zinc/30/32/95/596303295.db2.gz VDGFFCWCUZBHQF-QAPCUYQASA-N 2 1 333.480 1.612 20 0 EDADMP Cn1cc(N2CCC[C@@H]([N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)C2=O)cn1 ZINC000866709040 596303299 /nfs/dbraw/zinc/30/32/99/596303299.db2.gz VDGFFCWCUZBHQF-QAPCUYQASA-N 2 1 333.480 1.612 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)CC[N@H+]1C ZINC000864899576 596409417 /nfs/dbraw/zinc/40/94/17/596409417.db2.gz MGMMYSIKRWYFLT-JKSUJKDBSA-N 2 1 331.464 1.502 20 0 EDADMP CN(C)c1ccc(F)cc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000865450393 596579535 /nfs/dbraw/zinc/57/95/35/596579535.db2.gz MHPVKSVNOSXRAI-AWEZNQCLSA-N 2 1 336.455 1.569 20 0 EDADMP CN(C)c1ccc(F)cc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000865450393 596579538 /nfs/dbraw/zinc/57/95/38/596579538.db2.gz MHPVKSVNOSXRAI-AWEZNQCLSA-N 2 1 336.455 1.569 20 0 EDADMP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccccc1 ZINC000869778191 596630478 /nfs/dbraw/zinc/63/04/78/596630478.db2.gz AMLSBPHCOHRJEY-DLBZAZTESA-N 2 1 333.476 1.641 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CC[C@@](C)(C(F)(F)F)C2)C1=O ZINC000871598954 596647979 /nfs/dbraw/zinc/64/79/79/596647979.db2.gz FQGYEWBFXFXPJX-BXUZGUMPSA-N 2 1 335.370 1.340 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CC[C@@](C)(C(F)(F)F)C2)C1=O ZINC000871598954 596647980 /nfs/dbraw/zinc/64/79/80/596647980.db2.gz FQGYEWBFXFXPJX-BXUZGUMPSA-N 2 1 335.370 1.340 20 0 EDADMP C[C@H]1C[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000871599477 596648980 /nfs/dbraw/zinc/64/89/80/596648980.db2.gz QQVCBNRZSBWTDS-YOEHRIQHSA-N 2 1 329.444 1.685 20 0 EDADMP C[C@H]1C[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000871599477 596648981 /nfs/dbraw/zinc/64/89/81/596648981.db2.gz QQVCBNRZSBWTDS-YOEHRIQHSA-N 2 1 329.444 1.685 20 0 EDADMP CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC000865818908 596696999 /nfs/dbraw/zinc/69/69/99/596696999.db2.gz XWBTZHJFJGDUNG-UHFFFAOYSA-N 2 1 348.472 1.388 20 0 EDADMP CC(C)OC[C@H](O)C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000871966872 596762591 /nfs/dbraw/zinc/76/25/91/596762591.db2.gz UOQIWFYMONUVIF-HZPDHXFCSA-N 2 1 341.521 1.412 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)(c2ccccc2)CC1 ZINC000870188992 596790919 /nfs/dbraw/zinc/79/09/19/596790919.db2.gz FKTSCZBBVJEQRU-QGZVFWFLSA-N 2 1 331.460 1.097 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)(c2ccccc2)CC1 ZINC000870188992 596790920 /nfs/dbraw/zinc/79/09/20/596790920.db2.gz FKTSCZBBVJEQRU-QGZVFWFLSA-N 2 1 331.460 1.097 20 0 EDADMP C[C@H](CNC(=O)NC1CCC(C)([NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000868368983 596807790 /nfs/dbraw/zinc/80/77/90/596807790.db2.gz PKOQPVYHCLPSMA-KLHKWILBSA-N 2 1 340.512 1.517 20 0 EDADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1)C1CCCC1 ZINC000872156208 596815640 /nfs/dbraw/zinc/81/56/40/596815640.db2.gz GEEDSEULDUTTHV-RYQLBKOJSA-N 2 1 337.508 1.901 20 0 EDADMP CCS(=O)(=O)NCCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156472 596815818 /nfs/dbraw/zinc/81/58/18/596815818.db2.gz KBRJHJPVZTWPGN-NVXWUHKLSA-N 2 1 345.553 1.935 20 0 EDADMP CNC(=O)Cc1noc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158950 596817000 /nfs/dbraw/zinc/81/70/00/596817000.db2.gz ZMUQPKVDOSCCLQ-DZGCQCFKSA-N 2 1 349.479 1.478 20 0 EDADMP CNC(=O)Cc1noc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158950 596817002 /nfs/dbraw/zinc/81/70/02/596817002.db2.gz ZMUQPKVDOSCCLQ-DZGCQCFKSA-N 2 1 349.479 1.478 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000872199635 596832506 /nfs/dbraw/zinc/83/25/06/596832506.db2.gz QYQAJLKRECGPLY-AEFFLSMTSA-N 2 1 330.432 1.577 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1C ZINC000872256944 596857743 /nfs/dbraw/zinc/85/77/43/596857743.db2.gz GKIKICCYDCXNMX-INMHGKMJSA-N 2 1 331.416 1.371 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000875582347 596904915 /nfs/dbraw/zinc/90/49/15/596904915.db2.gz OMYQVBRWPVJUGD-WMZOPIPTSA-N 2 1 348.491 1.445 20 0 EDADMP CCC(CC)[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)[NH+](C)C ZINC000874072288 596917019 /nfs/dbraw/zinc/91/70/19/596917019.db2.gz SYCWPTGIEBTRPN-MRXNPFEDSA-N 2 1 344.569 1.539 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000875645561 596932312 /nfs/dbraw/zinc/93/23/12/596932312.db2.gz XTJOXRYKENMBHL-WMZOPIPTSA-N 2 1 348.491 1.445 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000875645561 596932318 /nfs/dbraw/zinc/93/23/18/596932318.db2.gz XTJOXRYKENMBHL-WMZOPIPTSA-N 2 1 348.491 1.445 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875693440 596949061 /nfs/dbraw/zinc/94/90/61/596949061.db2.gz ZPINYFMAJKKHAE-HNNXBMFYSA-N 2 1 328.501 1.109 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875693440 596949063 /nfs/dbraw/zinc/94/90/63/596949063.db2.gz ZPINYFMAJKKHAE-HNNXBMFYSA-N 2 1 328.501 1.109 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000875693440 596949065 /nfs/dbraw/zinc/94/90/65/596949065.db2.gz ZPINYFMAJKKHAE-HNNXBMFYSA-N 2 1 328.501 1.109 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000875872987 597019655 /nfs/dbraw/zinc/01/96/55/597019655.db2.gz LGBXZMAWCPKNOT-GOEBONIOSA-N 2 1 338.496 1.148 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000875872987 597019656 /nfs/dbraw/zinc/01/96/56/597019656.db2.gz LGBXZMAWCPKNOT-GOEBONIOSA-N 2 1 338.496 1.148 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000875872987 597019659 /nfs/dbraw/zinc/01/96/59/597019659.db2.gz LGBXZMAWCPKNOT-GOEBONIOSA-N 2 1 338.496 1.148 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000874432100 597075785 /nfs/dbraw/zinc/07/57/85/597075785.db2.gz GOJGCDDAIPFEMW-JENIJYKNSA-N 2 1 328.460 1.512 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C[NH+]1CCCC1 ZINC000874452375 597085755 /nfs/dbraw/zinc/08/57/55/597085755.db2.gz UIHAUFUOLDXVKT-GOSISDBHSA-N 2 1 330.476 1.990 20 0 EDADMP c1c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)sc2c1C[NH2+]CC2 ZINC000873211858 597229790 /nfs/dbraw/zinc/22/97/90/597229790.db2.gz FLGOVMDEMFLQNF-UHFFFAOYSA-N 3 1 334.533 1.700 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[C@H](C(F)(F)F)O1 ZINC000873228487 597234111 /nfs/dbraw/zinc/23/41/11/597234111.db2.gz FHASRNCRVGBSCS-FRRDWIJNSA-N 2 1 337.386 1.225 20 0 EDADMP Cn1cc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c(=O)n(C)c1=O ZINC000873232156 597234887 /nfs/dbraw/zinc/23/48/87/597234887.db2.gz LVSRXMLRDBPUCK-YOEHRIQHSA-N 2 1 348.491 1.204 20 0 EDADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)nn1C ZINC000873243283 597237322 /nfs/dbraw/zinc/23/73/22/597237322.db2.gz KNRSJSAGRPKMAC-CYBMUJFWSA-N 2 1 325.420 1.619 20 0 EDADMP CC[C@H]1COCCN1CCNC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000875072830 597270633 /nfs/dbraw/zinc/27/06/33/597270633.db2.gz CGHXJFNOKPOQAZ-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000876709171 597297228 /nfs/dbraw/zinc/29/72/28/597297228.db2.gz LFKDKPZDESHZLG-AWEZNQCLSA-N 2 1 335.839 1.565 20 0 EDADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000876741974 597316738 /nfs/dbraw/zinc/31/67/38/597316738.db2.gz XRZVSWNESMFXCJ-DDJWGXKRSA-N 2 1 327.472 1.961 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2c(C[NH3+])cnn2C)C1 ZINC000876742286 597317574 /nfs/dbraw/zinc/31/75/74/597317574.db2.gz XARRDXQPSCGFSG-HUUCEWRRSA-N 2 1 333.480 1.605 20 0 EDADMP C[C@@H](c1ccc(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)cc1)[NH+]1CCOCC1 ZINC000876754487 597322988 /nfs/dbraw/zinc/32/29/88/597322988.db2.gz DYHKXXBLHRLLJJ-CQDKDKBSSA-N 2 1 339.386 1.858 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000876773077 597333997 /nfs/dbraw/zinc/33/39/97/597333997.db2.gz VWKBRVNXNRDQBQ-HRCADAONSA-N 2 1 333.480 1.671 20 0 EDADMP CC[N@@H+](CCCNC(=O)[C@]1(COC)C[NH2+]CCO1)C1CCCCC1 ZINC000876946043 597392513 /nfs/dbraw/zinc/39/25/13/597392513.db2.gz FNMBYCRVHGNBGW-GOSISDBHSA-N 2 1 341.496 1.152 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000876961704 597398086 /nfs/dbraw/zinc/39/80/86/597398086.db2.gz VYSFUKDHWAWMGQ-IXDOHACOSA-N 2 1 331.460 1.243 20 0 EDADMP C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000876988870 597405752 /nfs/dbraw/zinc/40/57/52/597405752.db2.gz LOVGSHBBFYOJID-SJLPKXTDSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000876988870 597405755 /nfs/dbraw/zinc/40/57/55/597405755.db2.gz LOVGSHBBFYOJID-SJLPKXTDSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000875488286 597449773 /nfs/dbraw/zinc/44/97/73/597449773.db2.gz TWZXIWOJLSPHOS-SFHVURJKSA-N 2 1 348.491 1.831 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000875488286 597449776 /nfs/dbraw/zinc/44/97/76/597449776.db2.gz TWZXIWOJLSPHOS-SFHVURJKSA-N 2 1 348.491 1.831 20 0 EDADMP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000877189274 597456406 /nfs/dbraw/zinc/45/64/06/597456406.db2.gz ONDSLHVCINRNCU-LRYGQEGESA-N 2 1 328.460 1.776 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH2+]C(C)C)C1 ZINC000877231656 597470489 /nfs/dbraw/zinc/47/04/89/597470489.db2.gz QCIXNMMEVNUFLF-SFHVURJKSA-N 2 1 333.476 1.700 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)CC[NH2+]C(C)C)C1 ZINC000877231656 597470490 /nfs/dbraw/zinc/47/04/90/597470490.db2.gz QCIXNMMEVNUFLF-SFHVURJKSA-N 2 1 333.476 1.700 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000877231504 597470784 /nfs/dbraw/zinc/47/07/84/597470784.db2.gz MRQRNSNILVWHKX-GOSISDBHSA-N 2 1 345.487 1.831 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000877231504 597470786 /nfs/dbraw/zinc/47/07/86/597470786.db2.gz MRQRNSNILVWHKX-GOSISDBHSA-N 2 1 345.487 1.831 20 0 EDADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000877248987 597478837 /nfs/dbraw/zinc/47/88/37/597478837.db2.gz SJGHOJPOVOKHHT-QWFCFKBJSA-N 2 1 345.487 1.924 20 0 EDADMP CN(CCCCCC[NH3+])C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000877438179 597515579 /nfs/dbraw/zinc/51/55/79/597515579.db2.gz JRADVEGJSYILRO-IBGZPJMESA-N 2 1 346.519 1.953 20 0 EDADMP COc1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc(OC)c1 ZINC000877747933 597552818 /nfs/dbraw/zinc/55/28/18/597552818.db2.gz KFFYHXUGRJBGQD-UHFFFAOYSA-N 2 1 333.476 1.916 20 0 EDADMP Cn1nnnc1CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000878159959 597583010 /nfs/dbraw/zinc/58/30/10/597583010.db2.gz BKJVHSWRFSBZHH-LJQANCHMSA-N 2 1 340.475 1.741 20 0 EDADMP Cn1nnnc1CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000878159959 597583011 /nfs/dbraw/zinc/58/30/11/597583011.db2.gz BKJVHSWRFSBZHH-LJQANCHMSA-N 2 1 340.475 1.741 20 0 EDADMP Cn1nnnc1CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000878159959 597583012 /nfs/dbraw/zinc/58/30/12/597583012.db2.gz BKJVHSWRFSBZHH-LJQANCHMSA-N 2 1 340.475 1.741 20 0 EDADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878293467 597593290 /nfs/dbraw/zinc/59/32/90/597593290.db2.gz KBRAFOBAPLMVJI-HNNXBMFYSA-N 2 1 339.480 1.252 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000878314023 597594771 /nfs/dbraw/zinc/59/47/71/597594771.db2.gz JHWVNVXAMQAGJT-UHFFFAOYSA-N 3 1 332.492 1.390 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000878314023 597594772 /nfs/dbraw/zinc/59/47/72/597594772.db2.gz JHWVNVXAMQAGJT-UHFFFAOYSA-N 3 1 332.492 1.390 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000879571953 597636337 /nfs/dbraw/zinc/63/63/37/597636337.db2.gz UWXCRSGAGGBPKX-HIFRSBDPSA-N 2 1 331.416 1.770 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000879571953 597636340 /nfs/dbraw/zinc/63/63/40/597636340.db2.gz UWXCRSGAGGBPKX-HIFRSBDPSA-N 2 1 331.416 1.770 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000879571953 597636343 /nfs/dbraw/zinc/63/63/43/597636343.db2.gz UWXCRSGAGGBPKX-HIFRSBDPSA-N 2 1 331.416 1.770 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000879571953 597636345 /nfs/dbraw/zinc/63/63/45/597636345.db2.gz UWXCRSGAGGBPKX-HIFRSBDPSA-N 2 1 331.416 1.770 20 0 EDADMP C[C@H](CCN1CC[C@@H]2[C@H](CC[N@H+]2C)C1)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578499 597640700 /nfs/dbraw/zinc/64/07/00/597640700.db2.gz TXGKMNBOGZNOIJ-OUUBHVDSSA-N 2 1 334.552 1.817 20 0 EDADMP C[C@H](CCN1CC[C@@H]2[C@H](CC[NH+]2C)C1)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879578499 597640702 /nfs/dbraw/zinc/64/07/02/597640702.db2.gz TXGKMNBOGZNOIJ-OUUBHVDSSA-N 2 1 334.552 1.817 20 0 EDADMP C[C@H](CCN1CC[C@@H]2[C@H](CC[NH+]2C)C1)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879578499 597640704 /nfs/dbraw/zinc/64/07/04/597640704.db2.gz TXGKMNBOGZNOIJ-OUUBHVDSSA-N 2 1 334.552 1.817 20 0 EDADMP C[C@H](CCN1CC[C@@H]2[C@H](CC[N@H+]2C)C1)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578498 597640782 /nfs/dbraw/zinc/64/07/82/597640782.db2.gz TXGKMNBOGZNOIJ-OBKDMQGPSA-N 2 1 334.552 1.817 20 0 EDADMP C[C@H](CCN1CC[C@@H]2[C@H](CC[NH+]2C)C1)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879578498 597640783 /nfs/dbraw/zinc/64/07/83/597640783.db2.gz TXGKMNBOGZNOIJ-OBKDMQGPSA-N 2 1 334.552 1.817 20 0 EDADMP C[C@H](CCN1CC[C@@H]2[C@H](CC[NH+]2C)C1)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879578498 597640784 /nfs/dbraw/zinc/64/07/84/597640784.db2.gz TXGKMNBOGZNOIJ-OBKDMQGPSA-N 2 1 334.552 1.817 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000883240145 597691877 /nfs/dbraw/zinc/69/18/77/597691877.db2.gz IWCYRKFXGAENQF-INIZCTEOSA-N 2 1 334.464 1.520 20 0 EDADMP CCOC(=O)CN(C)C(=O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702076 597694404 /nfs/dbraw/zinc/69/44/04/597694404.db2.gz DVQHWAQRGLZZLZ-UHFFFAOYSA-N 2 1 341.496 1.308 20 0 EDADMP O=C1[C@@H]([N@H+]2CCCN(c3cc[nH+]cc3)CC2)CCN1C1CCOCC1 ZINC000878744295 597697179 /nfs/dbraw/zinc/69/71/79/597697179.db2.gz REMCOKKUTDXQQA-SFHVURJKSA-N 2 1 344.459 1.374 20 0 EDADMP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC[N@@H+](C)CCOCCO)CC2)C1 ZINC000883349428 597721909 /nfs/dbraw/zinc/72/19/09/597721909.db2.gz BBXXXCMLKHBLOD-PKOBYXMFSA-N 2 1 341.540 1.560 20 0 EDADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCN(C)CCOCCO)CC2)C1 ZINC000883349428 597721912 /nfs/dbraw/zinc/72/19/12/597721912.db2.gz BBXXXCMLKHBLOD-PKOBYXMFSA-N 2 1 341.540 1.560 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CCOCC4)O3)C2)C1 ZINC000883434372 597744767 /nfs/dbraw/zinc/74/47/67/597744767.db2.gz PBSKZMMLJRHJOY-BDXSIMOUSA-N 2 1 338.492 1.933 20 0 EDADMP CCOC(=O)c1sc([C@@H]2CC[N@H+](C[C@@](C)(O)C[NH2+]C)C2)nc1C ZINC000883448894 597751706 /nfs/dbraw/zinc/75/17/06/597751706.db2.gz UEUBGBVWGOUFOF-WBMJQRKESA-N 2 1 341.477 1.388 20 0 EDADMP CCOC(=O)c1sc([C@@H]2CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C2)nc1C ZINC000883448894 597751708 /nfs/dbraw/zinc/75/17/08/597751708.db2.gz UEUBGBVWGOUFOF-WBMJQRKESA-N 2 1 341.477 1.388 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CCC3(CCOCC3)O2)CCO1 ZINC000879001487 597781330 /nfs/dbraw/zinc/78/13/30/597781330.db2.gz YJPPWKFOMSLRIE-SJORKVTESA-N 2 1 326.481 1.757 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)CCO1 ZINC000879001487 597781334 /nfs/dbraw/zinc/78/13/34/597781334.db2.gz YJPPWKFOMSLRIE-SJORKVTESA-N 2 1 326.481 1.757 20 0 EDADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)N1CCC[NH2+]CC1 ZINC000883586764 597815360 /nfs/dbraw/zinc/81/53/60/597815360.db2.gz RWOMGCYCSQDPCD-SFHVURJKSA-N 2 1 343.475 1.798 20 0 EDADMP COCC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)CC1CC[NH+](C)CC1 ZINC000879122343 597825625 /nfs/dbraw/zinc/82/56/25/597825625.db2.gz LURVUFROOHWKQS-SJLPKXTDSA-N 2 1 339.524 1.972 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879239843 597862018 /nfs/dbraw/zinc/86/20/18/597862018.db2.gz HTMYBGKFSXPXOO-ICSRJNTNSA-N 2 1 345.487 1.785 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3nccs3)C2)CC1 ZINC000880317209 597899933 /nfs/dbraw/zinc/89/99/33/597899933.db2.gz PXWQOJSMZXBOFC-CQSZACIVSA-N 2 1 336.505 1.921 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3nccs3)C2)CC1 ZINC000880317209 597899934 /nfs/dbraw/zinc/89/99/34/597899934.db2.gz PXWQOJSMZXBOFC-CQSZACIVSA-N 2 1 336.505 1.921 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2CO)CC1 ZINC000880440378 597935599 /nfs/dbraw/zinc/93/55/99/597935599.db2.gz BBFVJVZDGICQSR-IEBWSBKVSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2CO)CC1 ZINC000880440378 597935600 /nfs/dbraw/zinc/93/56/00/597935600.db2.gz BBFVJVZDGICQSR-IEBWSBKVSA-N 2 1 345.487 1.484 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)CC1 ZINC000880552747 597961858 /nfs/dbraw/zinc/96/18/58/597961858.db2.gz BWXUXKMDEWICEH-GOSISDBHSA-N 2 1 342.487 1.681 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884188238 598019211 /nfs/dbraw/zinc/01/92/11/598019211.db2.gz CCWXIMBPYLUONP-HNNXBMFYSA-N 2 1 331.464 1.095 20 0 EDADMP CC[C@@H](C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1)OC ZINC001030986962 695086069 /nfs/dbraw/zinc/08/60/69/695086069.db2.gz GIYPXXPHRDYEKZ-OTWHNJEPSA-N 2 1 345.487 1.557 20 0 EDADMP CC[C@@H](C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1)OC ZINC001030986962 695086072 /nfs/dbraw/zinc/08/60/72/695086072.db2.gz GIYPXXPHRDYEKZ-OTWHNJEPSA-N 2 1 345.487 1.557 20 0 EDADMP CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC000992735934 695255622 /nfs/dbraw/zinc/25/56/22/695255622.db2.gz BSSORMSZJYJYGV-FVQBIDKESA-N 2 1 334.464 1.975 20 0 EDADMP C[C@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CCC[N@H+]1CCCO ZINC000993319115 695966834 /nfs/dbraw/zinc/96/68/34/695966834.db2.gz WEYWDVMTSQHVNA-JKSUJKDBSA-N 2 1 325.497 1.602 20 0 EDADMP CCc1ccc(CC[NH+]2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001031259902 696066274 /nfs/dbraw/zinc/06/62/74/696066274.db2.gz ISIXOWOONGQJRX-SFHVURJKSA-N 2 1 329.488 1.934 20 0 EDADMP CCc1ccc(CC[NH+]2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001031259902 696066278 /nfs/dbraw/zinc/06/62/78/696066278.db2.gz ISIXOWOONGQJRX-SFHVURJKSA-N 2 1 329.488 1.934 20 0 EDADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031266371 696078894 /nfs/dbraw/zinc/07/88/94/696078894.db2.gz QYCFKTKYJXXDPG-YJBOKZPZSA-N 2 1 343.471 1.047 20 0 EDADMP Cc1ncsc1C[N@@H+]1CCC[C@@H](NC(=O)Cc2cncn2C)[C@H]1C ZINC000994209707 696582695 /nfs/dbraw/zinc/58/26/95/696582695.db2.gz OBTWZFWWZMWWLW-UKRRQHHQSA-N 2 1 347.488 1.897 20 0 EDADMP Cc1ncsc1CN1CCC[C@@H](NC(=O)Cc2cncn2C)[C@H]1C ZINC000994209707 696582697 /nfs/dbraw/zinc/58/26/97/696582697.db2.gz OBTWZFWWZMWWLW-UKRRQHHQSA-N 2 1 347.488 1.897 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC000940008603 700110447 /nfs/dbraw/zinc/11/04/47/700110447.db2.gz VJHXKTVCSNWWHE-AWEZNQCLSA-N 2 1 346.479 1.247 20 0 EDADMP C[C@H](CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[N@@H+](C)C1CC1 ZINC000916851605 696793215 /nfs/dbraw/zinc/79/32/15/696793215.db2.gz RBXGYZYUTCCVNI-RHSMWYFYSA-N 2 1 333.480 1.856 20 0 EDADMP CCc1nocc1CN1CCC[C@@H](NC(=O)CN2CCCC2)[C@@H]1C ZINC000994406817 696830104 /nfs/dbraw/zinc/83/01/04/696830104.db2.gz KVRYWBOFNNWSEN-WMLDXEAASA-N 2 1 334.464 1.802 20 0 EDADMP C[C@H]1[C@H](NC(=O)Cn2ccnc2)CCC[N@H+]1CC1CC(F)(F)C1 ZINC000994512411 696957127 /nfs/dbraw/zinc/95/71/27/696957127.db2.gz YVFWVEPPCDDETH-GXTWGEPZSA-N 2 1 326.391 1.898 20 0 EDADMP Cc1ccncc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000940024767 700123525 /nfs/dbraw/zinc/12/35/25/700123525.db2.gz QIGLPSQYTGGXNG-KRWDZBQOSA-N 2 1 346.475 1.191 20 0 EDADMP Cc1ccncc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000940024767 700123526 /nfs/dbraw/zinc/12/35/26/700123526.db2.gz QIGLPSQYTGGXNG-KRWDZBQOSA-N 2 1 346.475 1.191 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000918120201 697133619 /nfs/dbraw/zinc/13/36/19/697133619.db2.gz FPIXMXWHFNAMMF-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP CCN1CCO[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)C1 ZINC000919127184 697246797 /nfs/dbraw/zinc/24/67/97/697246797.db2.gz OOIFHVPYMDAFAV-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP CCN1CCO[C@@H](CNC(=O)N2CCN(C)C[C@H]2CC(C)C)C1 ZINC000919127184 697246799 /nfs/dbraw/zinc/24/67/99/697246799.db2.gz OOIFHVPYMDAFAV-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCOc2ccc(F)cc2)C1 ZINC001031578439 697273298 /nfs/dbraw/zinc/27/32/98/697273298.db2.gz YDEVALVWFLMPGI-QGZVFWFLSA-N 2 1 335.423 1.347 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000919634501 697307839 /nfs/dbraw/zinc/30/78/39/697307839.db2.gz JNHWEQKTMUAPTE-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)C1 ZINC000919634501 697307842 /nfs/dbraw/zinc/30/78/42/697307842.db2.gz JNHWEQKTMUAPTE-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)C1 ZINC000919634501 697307843 /nfs/dbraw/zinc/30/78/43/697307843.db2.gz JNHWEQKTMUAPTE-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP Cc1cncc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001031666857 697451935 /nfs/dbraw/zinc/45/19/35/697451935.db2.gz SNBSQBUIAMSVPD-GOSISDBHSA-N 2 1 330.476 1.811 20 0 EDADMP Cc1cncc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001031666857 697451937 /nfs/dbraw/zinc/45/19/37/697451937.db2.gz SNBSQBUIAMSVPD-GOSISDBHSA-N 2 1 330.476 1.811 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031669034 697464130 /nfs/dbraw/zinc/46/41/30/697464130.db2.gz WKTJLXDVKMXRTK-DLBZAZTESA-N 2 1 346.475 1.714 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031669034 697464133 /nfs/dbraw/zinc/46/41/33/697464133.db2.gz WKTJLXDVKMXRTK-DLBZAZTESA-N 2 1 346.475 1.714 20 0 EDADMP COCc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001031681492 697505144 /nfs/dbraw/zinc/50/51/44/697505144.db2.gz VENPIDJWZVNWDC-DNVCBOLYSA-N 2 1 345.487 1.721 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@H](OC)C3CCC3)C2)CC[N@H+]1C ZINC001031685591 697519285 /nfs/dbraw/zinc/51/92/85/697519285.db2.gz CXPOGLPQZSTDSX-KSZLIROESA-N 2 1 337.508 1.580 20 0 EDADMP CC[C@H](CN1CCOCC1)NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000921422768 697601702 /nfs/dbraw/zinc/60/17/02/697601702.db2.gz DRQBZROSSXOZRJ-XHSDSOJGSA-N 2 1 326.485 1.125 20 0 EDADMP CCO[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)C[NH+](C)C ZINC000921426734 697603238 /nfs/dbraw/zinc/60/32/38/697603238.db2.gz JSFJOTCLSCHAPJ-CVEARBPZSA-N 2 1 328.501 1.230 20 0 EDADMP CCOC1CC(C[NH+]2CC(CNC(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001031731822 698153427 /nfs/dbraw/zinc/15/34/27/698153427.db2.gz MRRSJEYVYLNPAO-BDVYOWHSSA-N 2 1 346.475 1.624 20 0 EDADMP O=C(NCC1C[NH+](C[C@@H]2CCCCO2)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001031731983 698157717 /nfs/dbraw/zinc/15/77/17/698157717.db2.gz PRSGSULVBYLRMC-JKSUJKDBSA-N 2 1 332.448 1.378 20 0 EDADMP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000940109196 700222092 /nfs/dbraw/zinc/22/20/92/700222092.db2.gz OFUONRFZHMUJEH-MRXNPFEDSA-N 2 1 349.479 1.722 20 0 EDADMP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000940124440 700257910 /nfs/dbraw/zinc/25/79/10/700257910.db2.gz DHRAFRYPTSSUDW-JKSUJKDBSA-N 2 1 348.447 1.009 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2C)CC1 ZINC000943877077 699000289 /nfs/dbraw/zinc/00/02/89/699000289.db2.gz LZLMGPGCRWGFJB-DOTOQJQBSA-N 2 1 325.497 1.316 20 0 EDADMP O=C(NCC1C[NH+](CC2CCOCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031765136 699050498 /nfs/dbraw/zinc/05/04/98/699050498.db2.gz BMNDBPPTUPKWSQ-MSOLQXFVSA-N 2 1 335.492 1.478 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)oc1C ZINC000939053948 699114171 /nfs/dbraw/zinc/11/41/71/699114171.db2.gz BULZZFIVPUCZJU-MLGOLLRUSA-N 2 1 334.464 1.570 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939137837 699225426 /nfs/dbraw/zinc/22/54/26/699225426.db2.gz OCLXLMIHICCHJA-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cnns1 ZINC000939138352 699235676 /nfs/dbraw/zinc/23/56/76/699235676.db2.gz XJGVDCNAMPEGOB-OCCSQVGLSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C3C[NH+](CC4CCCC4)C3)CC2)C1 ZINC000941566315 701585176 /nfs/dbraw/zinc/58/51/76/701585176.db2.gz BFVYSJRSACJCCT-QGZVFWFLSA-N 2 1 348.535 1.347 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccon3)C2)CC1 ZINC000939445531 699578566 /nfs/dbraw/zinc/57/85/66/699578566.db2.gz ALYYEVJCOQYZNA-PBHICJAKSA-N 2 1 334.464 1.732 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC000939750348 699897923 /nfs/dbraw/zinc/89/79/23/699897923.db2.gz YTSQXVDVYXEWHH-SWLSCSKDSA-N 2 1 347.850 1.877 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000939752905 699902313 /nfs/dbraw/zinc/90/23/13/699902313.db2.gz BIZXRTHVLLVLRL-SMDDNHRTSA-N 2 1 326.391 1.673 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000939755531 699906846 /nfs/dbraw/zinc/90/68/46/699906846.db2.gz QSAKEQNWRBNYRC-CJNGLKHVSA-N 2 1 332.448 1.584 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031850357 699940612 /nfs/dbraw/zinc/94/06/12/699940612.db2.gz WTEHJQAAWUBHQE-UHFFFAOYSA-N 2 1 338.415 1.238 20 0 EDADMP Cc1conc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000940179514 700313468 /nfs/dbraw/zinc/31/34/68/700313468.db2.gz WMJKLLBQQNRTDA-MRXNPFEDSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)[nH]1 ZINC000940327947 700505199 /nfs/dbraw/zinc/50/51/99/700505199.db2.gz ANHVCAGKRBOSIS-CYBMUJFWSA-N 2 1 334.468 1.068 20 0 EDADMP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000940373133 700555896 /nfs/dbraw/zinc/55/58/96/700555896.db2.gz FDALFWUXHPRWTC-JKSUJKDBSA-N 2 1 347.463 1.557 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000940426013 700619292 /nfs/dbraw/zinc/61/92/92/700619292.db2.gz BSKHFNIRRPYLGY-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000940426013 700619293 /nfs/dbraw/zinc/61/92/93/700619293.db2.gz BSKHFNIRRPYLGY-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP Cc1nonc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000995099932 700886767 /nfs/dbraw/zinc/88/67/67/700886767.db2.gz BGGISJBSYGWKEI-HUUCEWRRSA-N 2 1 349.479 1.484 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865432 700947406 /nfs/dbraw/zinc/94/74/06/700947406.db2.gz YQLHYGDDOXVGQG-CVEARBPZSA-N 2 1 337.508 1.866 20 0 EDADMP CC1(C)C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000940901063 700975982 /nfs/dbraw/zinc/97/59/82/700975982.db2.gz JYIBAYJJYDCNTP-ASPXRTSYSA-N 2 1 347.503 1.476 20 0 EDADMP CC1(C)C[NH+](CC2CC2)CC[C@@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000940901063 700975984 /nfs/dbraw/zinc/97/59/84/700975984.db2.gz JYIBAYJJYDCNTP-ASPXRTSYSA-N 2 1 347.503 1.476 20 0 EDADMP CC1(C)C[NH+](CC2CC2)CC[C@@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000940901063 700975986 /nfs/dbraw/zinc/97/59/86/700975986.db2.gz JYIBAYJJYDCNTP-ASPXRTSYSA-N 2 1 347.503 1.476 20 0 EDADMP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000940917970 700995350 /nfs/dbraw/zinc/99/53/50/700995350.db2.gz HDTHJMTZJVBSPF-DLBZAZTESA-N 2 1 337.508 1.460 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3cnn(C)c3)C2)C1 ZINC001031918618 701034263 /nfs/dbraw/zinc/03/42/63/701034263.db2.gz PSLPSCPYDGTRPW-KRWDZBQOSA-N 2 1 333.480 1.090 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3cnn(C)c3)C2)C1 ZINC001031918618 701034264 /nfs/dbraw/zinc/03/42/64/701034264.db2.gz PSLPSCPYDGTRPW-KRWDZBQOSA-N 2 1 333.480 1.090 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941093280 701137192 /nfs/dbraw/zinc/13/71/92/701137192.db2.gz MEWRAKMIYWBUOH-CRAIPNDOSA-N 2 1 347.503 1.959 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941138021 701197473 /nfs/dbraw/zinc/19/74/73/701197473.db2.gz GORYFIJBDRVYAF-QGZVFWFLSA-N 2 1 339.524 1.970 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(Cc3cnon3)CC2(C)C)C1 ZINC000941163326 701228139 /nfs/dbraw/zinc/22/81/39/701228139.db2.gz JNIMNRXBHCHUGZ-ZFWWWQNUSA-N 2 1 335.452 1.128 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)on1 ZINC000941167305 701378432 /nfs/dbraw/zinc/37/84/32/701378432.db2.gz SQDGYCSIAZMHFY-MRXNPFEDSA-N 2 1 346.475 1.796 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215317 701401647 /nfs/dbraw/zinc/40/16/47/701401647.db2.gz PYSRKMNQFHTGKB-MRXNPFEDSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)o1 ZINC000941217140 701403300 /nfs/dbraw/zinc/40/33/00/701403300.db2.gz KCNLXJQDZMXAPE-DOTOQJQBSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941217140 701403301 /nfs/dbraw/zinc/40/33/01/701403301.db2.gz KCNLXJQDZMXAPE-DOTOQJQBSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941217140 701403302 /nfs/dbraw/zinc/40/33/02/701403302.db2.gz KCNLXJQDZMXAPE-DOTOQJQBSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)ncn1 ZINC000941217785 701403941 /nfs/dbraw/zinc/40/39/41/701403941.db2.gz SDBYQPFHXFNBQS-WBVHZDCISA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)ncn1 ZINC000941217785 701403942 /nfs/dbraw/zinc/40/39/42/701403942.db2.gz SDBYQPFHXFNBQS-WBVHZDCISA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)ncn1 ZINC000941217785 701403944 /nfs/dbraw/zinc/40/39/44/701403944.db2.gz SDBYQPFHXFNBQS-WBVHZDCISA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)on1 ZINC000941218185 701408936 /nfs/dbraw/zinc/40/89/36/701408936.db2.gz WWTJAMBUXVUXKU-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)on1 ZINC000941218185 701408937 /nfs/dbraw/zinc/40/89/37/701408937.db2.gz WWTJAMBUXVUXKU-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)on1 ZINC000941218185 701408938 /nfs/dbraw/zinc/40/89/38/701408938.db2.gz WWTJAMBUXVUXKU-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP CC(C)[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941436933 701540123 /nfs/dbraw/zinc/54/01/23/701540123.db2.gz LPVUIGJYCPLXDV-QGZVFWFLSA-N 2 1 336.524 1.486 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(Cc3csnn3)C[C@H]2CC1 ZINC000946518623 706605576 /nfs/dbraw/zinc/60/55/76/706605576.db2.gz ZYZVVCSIBZATEH-IJEWVQPXSA-N 2 1 349.504 1.303 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3csnn3)C[C@H]2CC1 ZINC000946518623 706605578 /nfs/dbraw/zinc/60/55/78/706605578.db2.gz ZYZVVCSIBZATEH-IJEWVQPXSA-N 2 1 349.504 1.303 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3csnn3)C[C@H]2CC1 ZINC000946518623 706605580 /nfs/dbraw/zinc/60/55/80/706605580.db2.gz ZYZVVCSIBZATEH-IJEWVQPXSA-N 2 1 349.504 1.303 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3csnn3)C[C@H]2CC1 ZINC000946518623 706605582 /nfs/dbraw/zinc/60/55/82/706605582.db2.gz ZYZVVCSIBZATEH-IJEWVQPXSA-N 2 1 349.504 1.303 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128547 701789312 /nfs/dbraw/zinc/78/93/12/701789312.db2.gz GYBZZMJMQBGXLD-RDJZCZTQSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)cc1F ZINC001032130025 701832276 /nfs/dbraw/zinc/83/22/76/701832276.db2.gz DUJQTLZZYXILQU-UHFFFAOYSA-N 2 1 331.435 1.778 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976698 701972363 /nfs/dbraw/zinc/97/23/63/701972363.db2.gz QTKVHPIRNDUCMK-RDTXWAMCSA-N 2 1 347.507 1.518 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976698 701972367 /nfs/dbraw/zinc/97/23/67/701972367.db2.gz QTKVHPIRNDUCMK-RDTXWAMCSA-N 2 1 347.507 1.518 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001032205000 702007286 /nfs/dbraw/zinc/00/72/86/702007286.db2.gz LMRMDGBMBYNTRK-UHFFFAOYSA-N 2 1 342.443 1.906 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCOc2ccc(F)cc2)C1 ZINC001031977131 702011463 /nfs/dbraw/zinc/01/14/63/702011463.db2.gz XBYMIGPARWLAFC-KDOFPFPSSA-N 2 1 349.450 1.450 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1C[NH+](CC[C@@H]3CCCO3)C1)C2 ZINC001031978834 702109342 /nfs/dbraw/zinc/10/93/42/702109342.db2.gz WZLRXZSJSABZMU-WMZOPIPTSA-N 2 1 346.475 1.371 20 0 EDADMP CC1(C)CN(C(=O)CCc2cnc[nH]2)C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000995879074 702185971 /nfs/dbraw/zinc/18/59/71/702185971.db2.gz BJTRBYBJBKUKPX-GOEBONIOSA-N 2 1 334.464 1.596 20 0 EDADMP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1(C)C ZINC000995897241 702201872 /nfs/dbraw/zinc/20/18/72/702201872.db2.gz QHRDXXOGUGHZTI-HZPDHXFCSA-N 2 1 335.496 1.296 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995899469 702204983 /nfs/dbraw/zinc/20/49/83/702204983.db2.gz WHMGJPLYFVRLAR-CQSZACIVSA-N 2 1 335.452 1.189 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cscn2)C(C)(C)C1)C1CC1 ZINC000995903554 702212177 /nfs/dbraw/zinc/21/21/77/702212177.db2.gz LEQYTZNYGYGJAA-LSDHHAIUSA-N 2 1 336.505 1.810 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC001032185788 702308827 /nfs/dbraw/zinc/30/88/27/702308827.db2.gz CBYHOIPNZXZGRP-HIFRSBDPSA-N 2 1 329.435 1.812 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCCO3)C2)CC1 ZINC001015929923 702319913 /nfs/dbraw/zinc/31/99/13/702319913.db2.gz FMXWCJUVWCZDNP-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cncs3)C2)CC[N@H+]1C ZINC000999208492 706661757 /nfs/dbraw/zinc/66/17/57/706661757.db2.gz NOSVEJSPRANBSA-VNQPRFMTSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944153625 702441821 /nfs/dbraw/zinc/44/18/21/702441821.db2.gz IKBIMOPDWLFMKB-DOTOQJQBSA-N 2 1 328.460 1.504 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cncc(F)c2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944155792 702450459 /nfs/dbraw/zinc/45/04/59/702450459.db2.gz QHKUPGUQIJSHNO-RHSMWYFYSA-N 2 1 346.450 1.643 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944155792 702450463 /nfs/dbraw/zinc/45/04/63/702450463.db2.gz QHKUPGUQIJSHNO-RHSMWYFYSA-N 2 1 346.450 1.643 20 0 EDADMP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1)C1CCC1 ZINC001032665983 706679702 /nfs/dbraw/zinc/67/97/02/706679702.db2.gz PPLFYKJAGKTHGF-GBESFXJTSA-N 2 1 349.519 1.819 20 0 EDADMP Cc1conc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995209611 702675750 /nfs/dbraw/zinc/67/57/50/702675750.db2.gz KOFUNRDDVSMNLK-LSDHHAIUSA-N 2 1 331.420 1.563 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3cnns3)C(C)(C)C2)C1 ZINC000996299826 702690602 /nfs/dbraw/zinc/69/06/02/702690602.db2.gz DWSHGEIQNRWLAH-JSGCOSHPSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3ccccn3)C(C)(C)C2)C1 ZINC000996299874 702691233 /nfs/dbraw/zinc/69/12/33/702691233.db2.gz FZSLOHOFGNRJOT-WBVHZDCISA-N 2 1 330.476 1.750 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)C(C)(C)C1 ZINC000996372926 702740525 /nfs/dbraw/zinc/74/05/25/702740525.db2.gz HWKKLOZOCQHFDV-UONOGXRCSA-N 2 1 349.479 1.097 20 0 EDADMP CCCc1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995219375 702760224 /nfs/dbraw/zinc/76/02/24/702760224.db2.gz YKRFXBOYTXEYJS-GJZGRUSLSA-N 2 1 349.479 1.492 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)o1 ZINC000996463902 702791580 /nfs/dbraw/zinc/79/15/80/702791580.db2.gz JLFVNICUNDFZTC-OAHLLOKOSA-N 2 1 349.479 1.585 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)o1 ZINC000996463902 702791581 /nfs/dbraw/zinc/79/15/81/702791581.db2.gz JLFVNICUNDFZTC-OAHLLOKOSA-N 2 1 349.479 1.585 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000996463907 702791584 /nfs/dbraw/zinc/79/15/84/702791584.db2.gz JPHALJFACUHAMB-QGZVFWFLSA-N 2 1 333.480 1.374 20 0 EDADMP Cc1csc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996607744 702911028 /nfs/dbraw/zinc/91/10/28/702911028.db2.gz DVWDSJFGBDGRMD-ZIAGYGMSSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)c(C)n1 ZINC000996608075 702911519 /nfs/dbraw/zinc/91/15/19/702911519.db2.gz FQIMDWRFZJRZES-ZWKOTPCHSA-N 2 1 344.503 1.977 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCC3CCOCC3)C(C)(C)C2)C1 ZINC000996615632 702922971 /nfs/dbraw/zinc/92/29/71/702922971.db2.gz QDNUUEYDMLIQMR-DLBZAZTESA-N 2 1 337.508 1.581 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000996617451 702924376 /nfs/dbraw/zinc/92/43/76/702924376.db2.gz AWFCSCQLYMXXGB-SJORKVTESA-N 2 1 349.500 1.692 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996674872 702970105 /nfs/dbraw/zinc/97/01/05/702970105.db2.gz DECFWMHHRNXERH-QGZVFWFLSA-N 2 1 346.475 1.768 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996672263 702973467 /nfs/dbraw/zinc/97/34/67/702973467.db2.gz CIJSSYKDMRGVEX-IAGOWNOFSA-N 2 1 347.507 1.584 20 0 EDADMP Cc1ncoc1C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996690190 702987455 /nfs/dbraw/zinc/98/74/55/702987455.db2.gz PYKZVZKAJQVULO-INIZCTEOSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1)c1nncn1C ZINC000996691027 702988489 /nfs/dbraw/zinc/98/84/89/702988489.db2.gz RMWROYTYZUVFBQ-ZBFHGGJFSA-N 2 1 348.495 1.331 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032027518 703049749 /nfs/dbraw/zinc/04/97/49/703049749.db2.gz UHWUZCXSUNPNFL-MRXNPFEDSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032027518 703049751 /nfs/dbraw/zinc/04/97/51/703049751.db2.gz UHWUZCXSUNPNFL-MRXNPFEDSA-N 2 1 334.464 1.794 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000996765184 703053794 /nfs/dbraw/zinc/05/37/94/703053794.db2.gz UIKCBAKCOYOIFH-SFHVURJKSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)n1 ZINC000996762355 703054040 /nfs/dbraw/zinc/05/40/40/703054040.db2.gz KWJRTKVOEXITMS-MRXNPFEDSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)n1 ZINC000996762355 703054043 /nfs/dbraw/zinc/05/40/43/703054043.db2.gz KWJRTKVOEXITMS-MRXNPFEDSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1ccnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000996995348 703252144 /nfs/dbraw/zinc/25/21/44/703252144.db2.gz OATIYPHXAOCBMQ-HNNXBMFYSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)no1 ZINC000997007820 703265099 /nfs/dbraw/zinc/26/50/99/703265099.db2.gz QONYOSIPCXDZSA-OLZOCXBDSA-N 2 1 335.452 1.361 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)no1 ZINC000997007820 703265102 /nfs/dbraw/zinc/26/51/02/703265102.db2.gz QONYOSIPCXDZSA-OLZOCXBDSA-N 2 1 335.452 1.361 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997073580 703313671 /nfs/dbraw/zinc/31/36/71/703313671.db2.gz XZSUGRGIZSKVNM-WBVHZDCISA-N 2 1 325.497 1.458 20 0 EDADMP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000997081371 703320145 /nfs/dbraw/zinc/32/01/45/703320145.db2.gz DPKIHVIISDANJL-JKSUJKDBSA-N 2 1 349.504 1.636 20 0 EDADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000997081371 703320148 /nfs/dbraw/zinc/32/01/48/703320148.db2.gz DPKIHVIISDANJL-JKSUJKDBSA-N 2 1 349.504 1.636 20 0 EDADMP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)n1 ZINC000997090961 703328579 /nfs/dbraw/zinc/32/85/79/703328579.db2.gz CBAGZOMMSUTRNR-ROUUACIJSA-N 2 1 345.491 1.518 20 0 EDADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCOCC2)CC1 ZINC001032700390 706738361 /nfs/dbraw/zinc/73/83/61/706738361.db2.gz MRJDLDRTHPTDSZ-ROUUACIJSA-N 2 1 335.492 1.430 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997181980 703466817 /nfs/dbraw/zinc/46/68/17/703466817.db2.gz FJNQQZIEUTZNGF-GXTWGEPZSA-N 2 1 334.468 1.097 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cnnn2C)CC1 ZINC000997182314 703467221 /nfs/dbraw/zinc/46/72/21/703467221.db2.gz WOFLHZFQUWHHRS-PBHICJAKSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cnnn2C)CC1 ZINC000997182314 703467223 /nfs/dbraw/zinc/46/72/23/703467223.db2.gz WOFLHZFQUWHHRS-PBHICJAKSA-N 2 1 348.495 1.016 20 0 EDADMP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997190037 703472258 /nfs/dbraw/zinc/47/22/58/703472258.db2.gz KNAIOZCTNGJTKJ-SJLPKXTDSA-N 2 1 339.524 1.970 20 0 EDADMP CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997271842 703534096 /nfs/dbraw/zinc/53/40/96/703534096.db2.gz OCQCOBIZZZHQCG-NVXWUHKLSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997271842 703534097 /nfs/dbraw/zinc/53/40/97/703534097.db2.gz OCQCOBIZZZHQCG-NVXWUHKLSA-N 2 1 325.497 1.722 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000997300432 703543958 /nfs/dbraw/zinc/54/39/58/703543958.db2.gz VATYKMMQJZREMM-INIZCTEOSA-N 2 1 347.507 1.670 20 0 EDADMP CN(C)c1cc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)ccn1 ZINC000997297220 703555669 /nfs/dbraw/zinc/55/56/69/703555669.db2.gz DFVRZWUWRJTMDP-INIZCTEOSA-N 2 1 345.491 1.180 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3nccn3C(F)F)CC2)C1 ZINC000997297375 703555943 /nfs/dbraw/zinc/55/59/43/703555943.db2.gz FPWCOFDIIWFYJD-LBPRGKRZSA-N 2 1 341.406 1.311 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997361492 703595422 /nfs/dbraw/zinc/59/54/22/703595422.db2.gz VPDNGVXALQIRAL-BETUJISGSA-N 2 1 335.452 1.331 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccsc2)CC1 ZINC001032706077 706756796 /nfs/dbraw/zinc/75/67/96/706756796.db2.gz WSNWDXRHZZLYID-HOTGVXAUSA-N 2 1 349.500 1.644 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccsc2)CC1 ZINC001032706077 706756798 /nfs/dbraw/zinc/75/67/98/706756798.db2.gz WSNWDXRHZZLYID-HOTGVXAUSA-N 2 1 349.500 1.644 20 0 EDADMP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997422232 703670951 /nfs/dbraw/zinc/67/09/51/703670951.db2.gz TYQVVZQDSPJCIN-RDTXWAMCSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cnns2)CC1 ZINC000997422424 703671104 /nfs/dbraw/zinc/67/11/04/703671104.db2.gz XUWHVNMRWCSICD-TZMCWYRMSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cnns2)CC1 ZINC000997422424 703671105 /nfs/dbraw/zinc/67/11/05/703671105.db2.gz XUWHVNMRWCSICD-TZMCWYRMSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC2CCOCC2)CC1 ZINC000997517202 703766908 /nfs/dbraw/zinc/76/69/08/703766908.db2.gz VZVSFWGYPDVSES-MAUKXSAKSA-N 2 1 337.508 1.724 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCCCO1)C12CCC[NH+]1CCC2 ZINC001032498503 703797602 /nfs/dbraw/zinc/79/76/02/703797602.db2.gz XPTRHXAFCVXFEK-OKZBNKHCSA-N 2 1 347.503 1.859 20 0 EDADMP CC(C)n1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nn1 ZINC000997604609 703898691 /nfs/dbraw/zinc/89/86/91/703898691.db2.gz BNWCDMTVSBHHAS-KRWDZBQOSA-N 2 1 348.495 1.281 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000997611945 703909109 /nfs/dbraw/zinc/90/91/09/703909109.db2.gz IJUNATYNDFEMEW-DOMZBBRYSA-N 2 1 335.452 1.361 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cs1 ZINC000997612870 703910707 /nfs/dbraw/zinc/91/07/07/703910707.db2.gz LAWSRIKOIFUJPE-INIZCTEOSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001004204112 703942817 /nfs/dbraw/zinc/94/28/17/703942817.db2.gz PMWZGYQTHVYXFK-ZIAGYGMSSA-N 2 1 334.464 1.936 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000997645147 703953884 /nfs/dbraw/zinc/95/38/84/703953884.db2.gz MSCDFTSNNZDKMY-HNNXBMFYSA-N 2 1 345.434 1.191 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000997645147 703953886 /nfs/dbraw/zinc/95/38/86/703953886.db2.gz MSCDFTSNNZDKMY-HNNXBMFYSA-N 2 1 345.434 1.191 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)s1 ZINC000995550614 703954160 /nfs/dbraw/zinc/95/41/60/703954160.db2.gz JYSIKEZLPSVBLX-STQMWFEESA-N 2 1 337.493 1.267 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)s1 ZINC000995550614 703954163 /nfs/dbraw/zinc/95/41/63/703954163.db2.gz JYSIKEZLPSVBLX-STQMWFEESA-N 2 1 337.493 1.267 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995552883 703961899 /nfs/dbraw/zinc/96/18/99/703961899.db2.gz RXLUJUMRYSDLII-JKSUJKDBSA-N 2 1 331.464 1.206 20 0 EDADMP CN1CCC[C@H]1C(=O)N1C[C@@H](NCc2nnc(C3CC3)o2)C(C)(C)C1 ZINC000995554292 703969162 /nfs/dbraw/zinc/96/91/62/703969162.db2.gz VFIJQVHVHXNFQR-UONOGXRCSA-N 2 1 347.463 1.368 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cccnc1C ZINC001032522484 703969799 /nfs/dbraw/zinc/96/97/99/703969799.db2.gz IIDARAUPQORKRH-IRXDYDNUSA-N 2 1 325.416 1.380 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033080317 704146453 /nfs/dbraw/zinc/14/64/53/704146453.db2.gz FXGNZEGNNKAVTF-OALUTQOASA-N 2 1 342.487 1.765 20 0 EDADMP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc(C)[nH+]1 ZINC001061471209 704222162 /nfs/dbraw/zinc/22/21/62/704222162.db2.gz KFDOOPFYPRUXMW-FVQBIDKESA-N 2 1 331.464 1.519 20 0 EDADMP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(C)[nH+]1 ZINC001061471209 704222164 /nfs/dbraw/zinc/22/21/64/704222164.db2.gz KFDOOPFYPRUXMW-FVQBIDKESA-N 2 1 331.464 1.519 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCc3ccnn3C)C2)CC[N@H+]1C ZINC001033099946 704224728 /nfs/dbraw/zinc/22/47/28/704224728.db2.gz TUXAESKYVUXYCC-OKZBNKHCSA-N 2 1 347.507 1.226 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCc3ccnn3C)C2)CC[NH+]1C ZINC001033099946 704224730 /nfs/dbraw/zinc/22/47/30/704224730.db2.gz TUXAESKYVUXYCC-OKZBNKHCSA-N 2 1 347.507 1.226 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCc3ccnn3C)C2)CC[NH+]1C ZINC001033099946 704224732 /nfs/dbraw/zinc/22/47/32/704224732.db2.gz TUXAESKYVUXYCC-OKZBNKHCSA-N 2 1 347.507 1.226 20 0 EDADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccccc1S(C)(=O)=O ZINC000922679225 704228641 /nfs/dbraw/zinc/22/86/41/704228641.db2.gz KDXGDSRYJCUMRK-UHFFFAOYSA-N 2 1 333.457 1.883 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2coc(C)n2)C1 ZINC000999300789 706803321 /nfs/dbraw/zinc/80/33/21/706803321.db2.gz ALXHHGKHDKMJEC-WBVHZDCISA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2coc(C)n2)C1 ZINC000999300789 706803324 /nfs/dbraw/zinc/80/33/24/706803324.db2.gz ALXHHGKHDKMJEC-WBVHZDCISA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC000999306572 706811488 /nfs/dbraw/zinc/81/14/88/706811488.db2.gz JRAJNPZCCONLKN-IRXDYDNUSA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC000999306572 706811491 /nfs/dbraw/zinc/81/14/91/706811491.db2.gz JRAJNPZCCONLKN-IRXDYDNUSA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ocnc2C)C1 ZINC000999306668 706811671 /nfs/dbraw/zinc/81/16/71/706811671.db2.gz LBNOSDDWLAZRJZ-HOTGVXAUSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000999309772 706812543 /nfs/dbraw/zinc/81/25/43/706812543.db2.gz VWHIMKRMRKCBSG-FUHWJXTLSA-N 2 1 347.507 1.684 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCO)CC1 ZINC001004446408 704429607 /nfs/dbraw/zinc/42/96/07/704429607.db2.gz LCPOZFFOZBJZOH-ZWKOTPCHSA-N 2 1 337.508 1.556 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004446408 704429608 /nfs/dbraw/zinc/42/96/08/704429608.db2.gz LCPOZFFOZBJZOH-ZWKOTPCHSA-N 2 1 337.508 1.556 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004446408 704429611 /nfs/dbraw/zinc/42/96/11/704429611.db2.gz LCPOZFFOZBJZOH-ZWKOTPCHSA-N 2 1 337.508 1.556 20 0 EDADMP Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995606842 704570218 /nfs/dbraw/zinc/57/02/18/704570218.db2.gz RBFVUKPVQHDHME-QZTJIDSGSA-N 2 1 345.487 1.652 20 0 EDADMP Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995606842 704570221 /nfs/dbraw/zinc/57/02/21/704570221.db2.gz RBFVUKPVQHDHME-QZTJIDSGSA-N 2 1 345.487 1.652 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]C[C@H]3CCCOC3)CC2)CC[N@H+]1C ZINC000997784395 704688256 /nfs/dbraw/zinc/68/82/56/704688256.db2.gz DYNCZZSNKJQMCM-KBAYOESNSA-N 2 1 337.508 1.581 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)c1nncn1C ZINC000997830623 704749084 /nfs/dbraw/zinc/74/90/84/704749084.db2.gz KTMKBNZVUSHQDZ-AWEZNQCLSA-N 2 1 348.495 1.189 20 0 EDADMP Cc1nnc(C[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)o1 ZINC000997832054 704750298 /nfs/dbraw/zinc/75/02/98/704750298.db2.gz XZVOXBLLDYYHJT-UHFFFAOYSA-N 2 1 335.452 1.191 20 0 EDADMP Cn1cncc1C[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000997840552 704757128 /nfs/dbraw/zinc/75/71/28/704757128.db2.gz ONJVMFBXXBXCBO-QGZVFWFLSA-N 2 1 347.507 1.623 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)s1 ZINC000944920616 704772762 /nfs/dbraw/zinc/77/27/62/704772762.db2.gz VFKGQULXTPWCSI-CZUORRHYSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)Cn3ccnc3C)[C@@H](C)C2)o1 ZINC000944963519 704829059 /nfs/dbraw/zinc/82/90/59/704829059.db2.gz BKLBGFXHFCKVIF-BLLLJJGKSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944963519 704829064 /nfs/dbraw/zinc/82/90/64/704829064.db2.gz BKLBGFXHFCKVIF-BLLLJJGKSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2C)C[C@@H]1C ZINC000944964697 704832691 /nfs/dbraw/zinc/83/26/91/704832691.db2.gz KFCHTYFYUUZYHC-KSSFIOAISA-N 2 1 341.459 1.922 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2C)C[C@@H]1C ZINC000944964697 704832697 /nfs/dbraw/zinc/83/26/97/704832697.db2.gz KFCHTYFYUUZYHC-KSSFIOAISA-N 2 1 341.459 1.922 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945029624 704956918 /nfs/dbraw/zinc/95/69/18/704956918.db2.gz UYWXUWDUCISWCU-YJBOKZPZSA-N 2 1 333.476 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2cn(C)nc2C)CC1 ZINC000997913558 704974733 /nfs/dbraw/zinc/97/47/33/704974733.db2.gz BGMITJSNGQYVPG-UHFFFAOYSA-N 2 1 344.463 1.262 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2cccnc2C)CC1 ZINC000997916898 704975192 /nfs/dbraw/zinc/97/51/92/704975192.db2.gz WEHMCTWOQLNBFJ-UHFFFAOYSA-N 2 1 341.459 1.923 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000948633901 704987795 /nfs/dbraw/zinc/98/77/95/704987795.db2.gz DRXLFRDOQLWHNS-MSOLQXFVSA-N 2 1 337.508 1.822 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000948633901 704987799 /nfs/dbraw/zinc/98/77/99/704987799.db2.gz DRXLFRDOQLWHNS-MSOLQXFVSA-N 2 1 337.508 1.822 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)no1 ZINC000998080955 705300471 /nfs/dbraw/zinc/30/04/71/705300471.db2.gz GJPVQOOHGIHKHL-GUYCJALGSA-N 2 1 334.464 1.509 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998081563 705301955 /nfs/dbraw/zinc/30/19/55/705301955.db2.gz JNNOEWNHKLQACT-CYBMUJFWSA-N 2 1 337.493 1.351 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3cncs3)CC2)C1 ZINC000998082617 705310049 /nfs/dbraw/zinc/31/00/49/705310049.db2.gz RNPANPSLDMNPLP-CQSZACIVSA-N 2 1 336.505 1.813 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@@H]1CCC[N@H+](CCF)CC1 ZINC000998101172 705343617 /nfs/dbraw/zinc/34/36/17/705343617.db2.gz GPYYPVLSDRLXLV-IAGOWNOFSA-N 2 1 343.487 1.768 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@@H]1CCC[N@@H+](CCF)CC1 ZINC000998101172 705343620 /nfs/dbraw/zinc/34/36/20/705343620.db2.gz GPYYPVLSDRLXLV-IAGOWNOFSA-N 2 1 343.487 1.768 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)[C@@H]1CCC[NH+](CCF)CC1 ZINC000998101172 705343625 /nfs/dbraw/zinc/34/36/25/705343625.db2.gz GPYYPVLSDRLXLV-IAGOWNOFSA-N 2 1 343.487 1.768 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)[C@@H]1CCC[NH+](CCF)CC1 ZINC000998101172 705343627 /nfs/dbraw/zinc/34/36/27/705343627.db2.gz GPYYPVLSDRLXLV-IAGOWNOFSA-N 2 1 343.487 1.768 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1ncccn1 ZINC000998264711 705630488 /nfs/dbraw/zinc/63/04/88/705630488.db2.gz HHUHZYWDLBTFEF-GOEBONIOSA-N 2 1 331.464 1.318 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)[nH]1 ZINC000998267975 705639463 /nfs/dbraw/zinc/63/94/63/705639463.db2.gz BNXGVPJDIKAIOC-LBPRGKRZSA-N 2 1 345.451 1.207 20 0 EDADMP CCCc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000998271368 705650826 /nfs/dbraw/zinc/65/08/26/705650826.db2.gz GGEAIQCUIWVUJH-HNNXBMFYSA-N 2 1 349.479 1.302 20 0 EDADMP CCCc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000998271368 705650828 /nfs/dbraw/zinc/65/08/28/705650828.db2.gz GGEAIQCUIWVUJH-HNNXBMFYSA-N 2 1 349.479 1.302 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3nnc(C4CC4)o3)CC2)C1 ZINC000998272629 705656137 /nfs/dbraw/zinc/65/61/37/705656137.db2.gz MORSUEMBOPSOSH-HNNXBMFYSA-N 2 1 347.463 1.227 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3nnc(C4CC4)o3)CC2)C1 ZINC000998272629 705656140 /nfs/dbraw/zinc/65/61/40/705656140.db2.gz MORSUEMBOPSOSH-HNNXBMFYSA-N 2 1 347.463 1.227 20 0 EDADMP CC(C)c1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000998274764 705657364 /nfs/dbraw/zinc/65/73/64/705657364.db2.gz VUTBHCUSHPUNGP-OAHLLOKOSA-N 2 1 348.495 1.208 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC3CC(C)C3)CC2)C1 ZINC000998281248 705674422 /nfs/dbraw/zinc/67/44/22/705674422.db2.gz WGFUQNUZUXJLEV-VJFUWPCTSA-N 2 1 337.508 1.581 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC3CC(C)C3)CC2)C1 ZINC000998281248 705674424 /nfs/dbraw/zinc/67/44/24/705674424.db2.gz WGFUQNUZUXJLEV-VJFUWPCTSA-N 2 1 337.508 1.581 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nc(C)no2)CC1 ZINC000998284197 705679026 /nfs/dbraw/zinc/67/90/26/705679026.db2.gz ADFVXRFJBDJCLR-INIZCTEOSA-N 2 1 349.479 1.581 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nc(C)no2)CC1 ZINC000998284197 705679027 /nfs/dbraw/zinc/67/90/27/705679027.db2.gz ADFVXRFJBDJCLR-INIZCTEOSA-N 2 1 349.479 1.581 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nn(C)cc2Cl)C1 ZINC000998554610 705989332 /nfs/dbraw/zinc/98/93/32/705989332.db2.gz ZDJSSPMIIZLGTL-QOZQQMKHSA-N 2 1 339.871 1.247 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nn(C)cc2Cl)C1 ZINC000998554610 705989336 /nfs/dbraw/zinc/98/93/36/705989336.db2.gz ZDJSSPMIIZLGTL-QOZQQMKHSA-N 2 1 339.871 1.247 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC000998552254 705989743 /nfs/dbraw/zinc/98/97/43/705989743.db2.gz UCJHSEWOMIGGFW-NRXISQOPSA-N 2 1 348.495 1.206 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000998556545 705993147 /nfs/dbraw/zinc/99/31/47/705993147.db2.gz NOJTUKJVFRQXMG-JXQTWKCFSA-N 2 1 333.436 1.120 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000998556545 705993149 /nfs/dbraw/zinc/99/31/49/705993149.db2.gz NOJTUKJVFRQXMG-JXQTWKCFSA-N 2 1 333.436 1.120 20 0 EDADMP COc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998718988 706150749 /nfs/dbraw/zinc/15/07/49/706150749.db2.gz DPSAWHCLEFSNKY-HOTGVXAUSA-N 2 1 332.448 1.265 20 0 EDADMP COc1ccc(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000998728042 706158289 /nfs/dbraw/zinc/15/82/89/706158289.db2.gz BCMIWDMASAWNTE-PKOBYXMFSA-N 2 1 345.487 1.913 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C1CC([NH2+]CCF)C1 ZINC000998898861 706326456 /nfs/dbraw/zinc/32/64/56/706326456.db2.gz NJBJODVIMMSVIQ-BCLQGDPASA-N 2 1 327.444 1.178 20 0 EDADMP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000998902749 706339529 /nfs/dbraw/zinc/33/95/29/706339529.db2.gz XUYKBDYEVRQDSR-YMAMQOFZSA-N 2 1 343.431 1.836 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC000998987307 706419247 /nfs/dbraw/zinc/41/92/47/706419247.db2.gz NHCWVJCLUCDVJT-UHFFFAOYSA-N 2 1 347.463 1.333 20 0 EDADMP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC000998987292 706419258 /nfs/dbraw/zinc/41/92/58/706419258.db2.gz MNPNWCCFDDWXHO-AGERRDQYSA-N 2 1 346.475 1.188 20 0 EDADMP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC000998987292 706419262 /nfs/dbraw/zinc/41/92/62/706419262.db2.gz MNPNWCCFDDWXHO-AGERRDQYSA-N 2 1 346.475 1.188 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]Cc2ncccn2)C1 ZINC000999049373 706469963 /nfs/dbraw/zinc/46/99/63/706469963.db2.gz DZGGSYNOMJBVCE-UHFFFAOYSA-N 2 1 329.448 1.184 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccccn3)C[C@H]2CC1 ZINC000946517198 706521054 /nfs/dbraw/zinc/52/10/54/706521054.db2.gz BEQPUSAGKOFBPT-SCTDSRPQSA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2CC1 ZINC000946517198 706521056 /nfs/dbraw/zinc/52/10/56/706521056.db2.gz BEQPUSAGKOFBPT-SCTDSRPQSA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2CC1 ZINC000946517198 706521057 /nfs/dbraw/zinc/52/10/57/706521057.db2.gz BEQPUSAGKOFBPT-SCTDSRPQSA-N 2 1 342.487 1.846 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)[nH]1 ZINC000999356154 706846166 /nfs/dbraw/zinc/84/61/66/706846166.db2.gz YOUSPCRTGGIMIS-HZPDHXFCSA-N 2 1 348.495 1.457 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)[nH]1 ZINC000999356154 706846170 /nfs/dbraw/zinc/84/61/70/706846170.db2.gz YOUSPCRTGGIMIS-HZPDHXFCSA-N 2 1 348.495 1.457 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCc3ccon3)C2)C1 ZINC000999350034 706862321 /nfs/dbraw/zinc/86/23/21/706862321.db2.gz WHFIHXBWENFVEG-DOTOQJQBSA-N 2 1 334.464 1.733 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccon3)C2)C1 ZINC000999350034 706862322 /nfs/dbraw/zinc/86/23/22/706862322.db2.gz WHFIHXBWENFVEG-DOTOQJQBSA-N 2 1 334.464 1.733 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccon3)C2)C1 ZINC000999350034 706862324 /nfs/dbraw/zinc/86/23/24/706862324.db2.gz WHFIHXBWENFVEG-DOTOQJQBSA-N 2 1 334.464 1.733 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCc3ccon3)C2)C1 ZINC000999350035 706862358 /nfs/dbraw/zinc/86/23/58/706862358.db2.gz WHFIHXBWENFVEG-NVXWUHKLSA-N 2 1 334.464 1.733 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccon3)C2)C1 ZINC000999350035 706862359 /nfs/dbraw/zinc/86/23/59/706862359.db2.gz WHFIHXBWENFVEG-NVXWUHKLSA-N 2 1 334.464 1.733 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccon3)C2)C1 ZINC000999350035 706862362 /nfs/dbraw/zinc/86/23/62/706862362.db2.gz WHFIHXBWENFVEG-NVXWUHKLSA-N 2 1 334.464 1.733 20 0 EDADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000999351256 706864337 /nfs/dbraw/zinc/86/43/37/706864337.db2.gz DTQNKZSKUIWKIZ-QZTJIDSGSA-N 2 1 347.507 1.584 20 0 EDADMP Cc1ccnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC000999402587 706911100 /nfs/dbraw/zinc/91/11/00/706911100.db2.gz HALVFVFDAJISKD-UHFFFAOYSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1ccnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC000999402587 706911101 /nfs/dbraw/zinc/91/11/01/706911101.db2.gz HALVFVFDAJISKD-UHFFFAOYSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nnc(CNC2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)s1 ZINC000999405211 706914221 /nfs/dbraw/zinc/91/42/21/706914221.db2.gz DBBGXZGHSQFUQO-LMWSTFAQSA-N 2 1 337.493 1.410 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)s1 ZINC000999405211 706914226 /nfs/dbraw/zinc/91/42/26/706914226.db2.gz DBBGXZGHSQFUQO-LMWSTFAQSA-N 2 1 337.493 1.410 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)ncn1 ZINC000999510756 707009107 /nfs/dbraw/zinc/00/91/07/707009107.db2.gz LYIRYMMUPCLFSJ-DOTOQJQBSA-N 2 1 331.464 1.350 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC000999575951 707082857 /nfs/dbraw/zinc/08/28/57/707082857.db2.gz RTPBYVZELVVJRA-IRXDYDNUSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1ncsc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999682949 707168330 /nfs/dbraw/zinc/16/83/30/707168330.db2.gz UEUSBYPOVSPREB-WLYUNCDWSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000999697832 707223786 /nfs/dbraw/zinc/22/37/86/707223786.db2.gz NLPSTURQUCFNOV-LMWSTFAQSA-N 2 1 333.436 1.114 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001033265819 707290178 /nfs/dbraw/zinc/29/01/78/707290178.db2.gz KFUCKIXBGFUXSY-DLBZAZTESA-N 2 1 334.464 1.683 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001033265819 707290183 /nfs/dbraw/zinc/29/01/83/707290183.db2.gz KFUCKIXBGFUXSY-DLBZAZTESA-N 2 1 334.464 1.683 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)oc1C ZINC000999704790 707294104 /nfs/dbraw/zinc/29/41/04/707294104.db2.gz BBZFFHIMFKSWBI-UHFFFAOYSA-N 2 1 332.448 1.466 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033296617 707406951 /nfs/dbraw/zinc/40/69/51/707406951.db2.gz WPBSKPTXKMSUAD-MJGOQNOKSA-N 2 1 349.519 1.963 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033196663 707411185 /nfs/dbraw/zinc/41/11/85/707411185.db2.gz DNTBFNGBSQAOAO-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033196663 707411189 /nfs/dbraw/zinc/41/11/89/707411189.db2.gz DNTBFNGBSQAOAO-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033196663 707411193 /nfs/dbraw/zinc/41/11/93/707411193.db2.gz DNTBFNGBSQAOAO-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)c1cnc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)o1 ZINC000999833793 707465892 /nfs/dbraw/zinc/46/58/92/707465892.db2.gz DDBKJIJZSQPQPC-UHFFFAOYSA-N 2 1 334.464 1.973 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2coc(C)n2)C1 ZINC000999875889 707522264 /nfs/dbraw/zinc/52/22/64/707522264.db2.gz CUXOKRIDYLICCH-PREGVCBESA-N 2 1 334.464 1.936 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2coc(C)n2)C1 ZINC000999875889 707522269 /nfs/dbraw/zinc/52/22/69/707522269.db2.gz CUXOKRIDYLICCH-PREGVCBESA-N 2 1 334.464 1.936 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nncs2)C1 ZINC000999875893 707522750 /nfs/dbraw/zinc/52/27/50/707522750.db2.gz CXTQSSRFGABJQB-JXQTWKCFSA-N 2 1 337.493 1.492 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nncs2)C1 ZINC000999875893 707522752 /nfs/dbraw/zinc/52/27/52/707522752.db2.gz CXTQSSRFGABJQB-JXQTWKCFSA-N 2 1 337.493 1.492 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C)[nH]3)C2)C1 ZINC000999972534 707583892 /nfs/dbraw/zinc/58/38/92/707583892.db2.gz GLGGHTZJHDRGNV-CVEARBPZSA-N 2 1 348.495 1.316 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C)[nH]3)C2)C1 ZINC000999972534 707583894 /nfs/dbraw/zinc/58/38/94/707583894.db2.gz GLGGHTZJHDRGNV-CVEARBPZSA-N 2 1 348.495 1.316 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncccn3)C2)C1 ZINC000999976581 707590382 /nfs/dbraw/zinc/59/03/82/707590382.db2.gz WVDVLTCRTWAEBN-SJORKVTESA-N 2 1 345.491 1.679 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncccn3)C2)C1 ZINC000999976581 707590385 /nfs/dbraw/zinc/59/03/85/707590385.db2.gz WVDVLTCRTWAEBN-SJORKVTESA-N 2 1 345.491 1.679 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001000106963 707700162 /nfs/dbraw/zinc/70/01/62/707700162.db2.gz VQNCXIMTZPFLFE-WBVHZDCISA-N 2 1 335.492 1.478 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccccc2)C1 ZINC001032731476 707733278 /nfs/dbraw/zinc/73/32/78/707733278.db2.gz KOALKRLDOOEGSC-FHWLQOOXSA-N 2 1 327.472 1.856 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccccc2)C1 ZINC001032731476 707733282 /nfs/dbraw/zinc/73/32/82/707733282.db2.gz KOALKRLDOOEGSC-FHWLQOOXSA-N 2 1 327.472 1.856 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccccc2)C1 ZINC001032731476 707733295 /nfs/dbraw/zinc/73/32/95/707733295.db2.gz KOALKRLDOOEGSC-FHWLQOOXSA-N 2 1 327.472 1.856 20 0 EDADMP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001032731915 707735280 /nfs/dbraw/zinc/73/52/80/707735280.db2.gz SKEVPUOLSOTYPR-SQNIBIBYSA-N 2 1 345.491 1.127 20 0 EDADMP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001032731915 707735283 /nfs/dbraw/zinc/73/52/83/707735283.db2.gz SKEVPUOLSOTYPR-SQNIBIBYSA-N 2 1 345.491 1.127 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)n1 ZINC001032731915 707735288 /nfs/dbraw/zinc/73/52/88/707735288.db2.gz SKEVPUOLSOTYPR-SQNIBIBYSA-N 2 1 345.491 1.127 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)n1 ZINC001032731915 707735291 /nfs/dbraw/zinc/73/52/91/707735291.db2.gz SKEVPUOLSOTYPR-SQNIBIBYSA-N 2 1 345.491 1.127 20 0 EDADMP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)cc1 ZINC001032730337 707737480 /nfs/dbraw/zinc/73/74/80/707737480.db2.gz BAFYCTBGHHOIMZ-SQNIBIBYSA-N 2 1 343.471 1.822 20 0 EDADMP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)cc1 ZINC001032730337 707737484 /nfs/dbraw/zinc/73/74/84/707737484.db2.gz BAFYCTBGHHOIMZ-SQNIBIBYSA-N 2 1 343.471 1.822 20 0 EDADMP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001032730337 707737488 /nfs/dbraw/zinc/73/74/88/707737488.db2.gz BAFYCTBGHHOIMZ-SQNIBIBYSA-N 2 1 343.471 1.822 20 0 EDADMP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001032730337 707737492 /nfs/dbraw/zinc/73/74/92/707737492.db2.gz BAFYCTBGHHOIMZ-SQNIBIBYSA-N 2 1 343.471 1.822 20 0 EDADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946765300 707771067 /nfs/dbraw/zinc/77/10/67/707771067.db2.gz LSJSNYHZYPGXKV-WNRNVDISSA-N 2 1 339.524 1.778 20 0 EDADMP CC1CC(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CN(C)CCO4)CC[C@@H]3C2)C1 ZINC000946536573 707895616 /nfs/dbraw/zinc/89/56/16/707895616.db2.gz POSJXCUOHMXTDE-QCRHNUIXSA-N 2 1 349.519 1.534 20 0 EDADMP CC1CC(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)CC[C@@H]3C2)C1 ZINC000946536573 707895620 /nfs/dbraw/zinc/89/56/20/707895620.db2.gz POSJXCUOHMXTDE-QCRHNUIXSA-N 2 1 349.519 1.534 20 0 EDADMP CC1CC(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)CC[C@@H]3C2)C1 ZINC000946536573 707895623 /nfs/dbraw/zinc/89/56/23/707895623.db2.gz POSJXCUOHMXTDE-QCRHNUIXSA-N 2 1 349.519 1.534 20 0 EDADMP CC1CC(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)CC[C@@H]3C2)C1 ZINC000946536573 707895627 /nfs/dbraw/zinc/89/56/27/707895627.db2.gz POSJXCUOHMXTDE-QCRHNUIXSA-N 2 1 349.519 1.534 20 0 EDADMP CC1CC(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)CC[C@@H]3C2)C1 ZINC000946536573 707895631 /nfs/dbraw/zinc/89/56/31/707895631.db2.gz POSJXCUOHMXTDE-QCRHNUIXSA-N 2 1 349.519 1.534 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc2c(c1)CCC2 ZINC001038094055 707948604 /nfs/dbraw/zinc/94/86/04/707948604.db2.gz AREDCLWWHLVUCA-RBUKOAKNSA-N 2 1 327.472 1.960 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc2c(c1)CCC2 ZINC001038094055 707948607 /nfs/dbraw/zinc/94/86/07/707948607.db2.gz AREDCLWWHLVUCA-RBUKOAKNSA-N 2 1 327.472 1.960 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC001038094055 707948609 /nfs/dbraw/zinc/94/86/09/707948609.db2.gz AREDCLWWHLVUCA-RBUKOAKNSA-N 2 1 327.472 1.960 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC001038094055 707948611 /nfs/dbraw/zinc/94/86/11/707948611.db2.gz AREDCLWWHLVUCA-RBUKOAKNSA-N 2 1 327.472 1.960 20 0 EDADMP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000921747479 707967126 /nfs/dbraw/zinc/96/71/26/707967126.db2.gz PEGUOFFYILGHMM-YESZJQIVSA-N 2 1 327.538 1.657 20 0 EDADMP COc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)cc1C ZINC001032781155 707968358 /nfs/dbraw/zinc/96/83/58/707968358.db2.gz KSUFKQZDLDSOIC-BZSNNMDCSA-N 2 1 343.471 1.740 20 0 EDADMP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)cc1C ZINC001032781155 707968359 /nfs/dbraw/zinc/96/83/59/707968359.db2.gz KSUFKQZDLDSOIC-BZSNNMDCSA-N 2 1 343.471 1.740 20 0 EDADMP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)cc1C ZINC001032781155 707968360 /nfs/dbraw/zinc/96/83/60/707968360.db2.gz KSUFKQZDLDSOIC-BZSNNMDCSA-N 2 1 343.471 1.740 20 0 EDADMP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)cc1C ZINC001032781155 707968361 /nfs/dbraw/zinc/96/83/61/707968361.db2.gz KSUFKQZDLDSOIC-BZSNNMDCSA-N 2 1 343.471 1.740 20 0 EDADMP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)cc1C ZINC001032781155 707968362 /nfs/dbraw/zinc/96/83/62/707968362.db2.gz KSUFKQZDLDSOIC-BZSNNMDCSA-N 2 1 343.471 1.740 20 0 EDADMP Cc1ccc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001032782243 707972420 /nfs/dbraw/zinc/97/24/20/707972420.db2.gz ZDBOBSOPRJJIFP-FHWLQOOXSA-N 2 1 327.472 1.774 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001000921829 708076981 /nfs/dbraw/zinc/07/69/81/708076981.db2.gz XSCCZCAHJNSWIU-SJORKVTESA-N 2 1 334.464 1.731 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccnn1C ZINC001032802816 708089761 /nfs/dbraw/zinc/08/97/61/708089761.db2.gz OUGZFEJQGDEENF-BZSNNMDCSA-N 2 1 345.491 1.122 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccnn1C ZINC001032802816 708089764 /nfs/dbraw/zinc/08/97/64/708089764.db2.gz OUGZFEJQGDEENF-BZSNNMDCSA-N 2 1 345.491 1.122 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccnn1C ZINC001032802816 708089766 /nfs/dbraw/zinc/08/97/66/708089766.db2.gz OUGZFEJQGDEENF-BZSNNMDCSA-N 2 1 345.491 1.122 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccnn1C ZINC001032802816 708089769 /nfs/dbraw/zinc/08/97/69/708089769.db2.gz OUGZFEJQGDEENF-BZSNNMDCSA-N 2 1 345.491 1.122 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc(C)[nH+]1 ZINC001060992332 708109777 /nfs/dbraw/zinc/10/97/77/708109777.db2.gz RWVVHNBCVLZZKB-GDBMZVCRSA-N 2 1 345.491 1.950 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc(C)[nH+]1 ZINC001060992332 708109781 /nfs/dbraw/zinc/10/97/81/708109781.db2.gz RWVVHNBCVLZZKB-GDBMZVCRSA-N 2 1 345.491 1.950 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CC[C@H]3CCOC3)C2)CC1 ZINC001033530867 708153493 /nfs/dbraw/zinc/15/34/93/708153493.db2.gz HJEOXSZUUOHKIC-ZWKOTPCHSA-N 2 1 337.508 1.678 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC[C@H](C)F)CC2)C1 ZINC001001755998 708279179 /nfs/dbraw/zinc/27/91/79/708279179.db2.gz AXKDTESALKVXNP-RDJZCZTQSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CCC3CC3)CC2)C1 ZINC001001756666 708279888 /nfs/dbraw/zinc/27/98/88/708279888.db2.gz HSHOFJITZNRDFU-SFHVURJKSA-N 2 1 337.508 1.724 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CCN(Cc3cnon3)CC2)C1 ZINC001001757261 708280954 /nfs/dbraw/zinc/28/09/54/708280954.db2.gz QEGXGONCCSRIRC-INIZCTEOSA-N 2 1 349.479 1.520 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001832825 708358544 /nfs/dbraw/zinc/35/85/44/708358544.db2.gz HZSTXXZNWBBLOZ-YOEHRIQHSA-N 2 1 348.491 1.617 20 0 EDADMP Cc1ccnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001001835008 708361858 /nfs/dbraw/zinc/36/18/58/708361858.db2.gz UJTJMVDFURHPTI-YOEHRIQHSA-N 2 1 345.491 1.311 20 0 EDADMP Cc1ccnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001001835008 708361862 /nfs/dbraw/zinc/36/18/62/708361862.db2.gz UJTJMVDFURHPTI-YOEHRIQHSA-N 2 1 345.491 1.311 20 0 EDADMP Cc1nc(CC[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)cs1 ZINC001033654348 708422116 /nfs/dbraw/zinc/42/21/16/708422116.db2.gz AJEQVVBAIVLLGU-HOCLYGCPSA-N 2 1 336.505 1.478 20 0 EDADMP Cc1nc(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC001033654348 708422119 /nfs/dbraw/zinc/42/21/19/708422119.db2.gz AJEQVVBAIVLLGU-HOCLYGCPSA-N 2 1 336.505 1.478 20 0 EDADMP Cc1nc(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001033654348 708422122 /nfs/dbraw/zinc/42/21/22/708422122.db2.gz AJEQVVBAIVLLGU-HOCLYGCPSA-N 2 1 336.505 1.478 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033658800 708469860 /nfs/dbraw/zinc/46/98/60/708469860.db2.gz UPOWRGBBJIPYMT-ZWKOTPCHSA-N 2 1 331.460 1.349 20 0 EDADMP Cc1cnc([C@@H](C)N2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002120619 708634362 /nfs/dbraw/zinc/63/43/62/708634362.db2.gz JSXPDTMPRMKKQL-ZBFHGGJFSA-N 2 1 334.464 1.824 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002120619 708634364 /nfs/dbraw/zinc/63/43/64/708634364.db2.gz JSXPDTMPRMKKQL-ZBFHGGJFSA-N 2 1 334.464 1.824 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002120619 708634367 /nfs/dbraw/zinc/63/43/67/708634367.db2.gz JSXPDTMPRMKKQL-ZBFHGGJFSA-N 2 1 334.464 1.824 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)C1 ZINC001002128138 708644466 /nfs/dbraw/zinc/64/44/66/708644466.db2.gz VXOAUZSWYRSPGL-HUUCEWRRSA-N 2 1 345.434 1.191 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC[C@@H](C)F)CC2)C1 ZINC001002137884 708654939 /nfs/dbraw/zinc/65/49/39/708654939.db2.gz DPQCJOSGUPXHLW-GDBMZVCRSA-N 2 1 329.460 1.283 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC[C@@H](C)F)CC2)C1 ZINC001002137884 708654942 /nfs/dbraw/zinc/65/49/42/708654942.db2.gz DPQCJOSGUPXHLW-GDBMZVCRSA-N 2 1 329.460 1.283 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCn2nc(C)cc2C)C1 ZINC001033778250 708706426 /nfs/dbraw/zinc/70/64/26/708706426.db2.gz YZFCFEKUIZSMBX-ZWKOTPCHSA-N 2 1 347.507 1.517 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001033778250 708706428 /nfs/dbraw/zinc/70/64/28/708706428.db2.gz YZFCFEKUIZSMBX-ZWKOTPCHSA-N 2 1 347.507 1.517 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001033778250 708706429 /nfs/dbraw/zinc/70/64/29/708706429.db2.gz YZFCFEKUIZSMBX-ZWKOTPCHSA-N 2 1 347.507 1.517 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCc3ccnn3C)CC2)CC[N@H+]1C ZINC001005406440 708904369 /nfs/dbraw/zinc/90/43/69/708904369.db2.gz AUEXYMPSCPKCMC-CRAIPNDOSA-N 2 1 347.507 1.226 20 0 EDADMP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033895702 709013528 /nfs/dbraw/zinc/01/35/28/709013528.db2.gz BMXWWNALIZMFFE-MRXNPFEDSA-N 2 1 343.431 1.186 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033927252 709058240 /nfs/dbraw/zinc/05/82/40/709058240.db2.gz KHJBJKMSSOIZHU-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033927252 709058243 /nfs/dbraw/zinc/05/82/43/709058243.db2.gz KHJBJKMSSOIZHU-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033927252 709058246 /nfs/dbraw/zinc/05/82/46/709058246.db2.gz KHJBJKMSSOIZHU-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033927252 709058249 /nfs/dbraw/zinc/05/82/49/709058249.db2.gz KHJBJKMSSOIZHU-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033928026 709059406 /nfs/dbraw/zinc/05/94/06/709059406.db2.gz TYVZZZXCOKXRCT-SJORKVTESA-N 2 1 333.480 1.290 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033928026 709059411 /nfs/dbraw/zinc/05/94/11/709059411.db2.gz TYVZZZXCOKXRCT-SJORKVTESA-N 2 1 333.480 1.290 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033928026 709059417 /nfs/dbraw/zinc/05/94/17/709059417.db2.gz TYVZZZXCOKXRCT-SJORKVTESA-N 2 1 333.480 1.290 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@H](C)COC)CC1 ZINC001005476606 709113656 /nfs/dbraw/zinc/11/36/56/709113656.db2.gz OTESKVYEMAHVSD-NVXWUHKLSA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC001034043479 709294774 /nfs/dbraw/zinc/29/47/74/709294774.db2.gz VJZCEFQQJZCRFS-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2scnc2C)C1 ZINC001034043479 709294777 /nfs/dbraw/zinc/29/47/77/709294777.db2.gz VJZCEFQQJZCRFS-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2scnc2C)C1 ZINC001034043479 709294781 /nfs/dbraw/zinc/29/47/81/709294781.db2.gz VJZCEFQQJZCRFS-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP C[C@@]12CN(C(=O)C[C@@H]3C[NH2+]CCO3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702069472 709311797 /nfs/dbraw/zinc/31/17/97/709311797.db2.gz LLTRLYBGERKOCG-NLWGTHIKSA-N 2 1 343.471 1.345 20 0 EDADMP C[C@@]12CN(C(=O)C[C@H]3C[NH2+]CCO3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702069471 709311887 /nfs/dbraw/zinc/31/18/87/709311887.db2.gz LLTRLYBGERKOCG-CMKODMSKSA-N 2 1 343.471 1.345 20 0 EDADMP Cn1cc(CC[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001034132929 709402900 /nfs/dbraw/zinc/40/29/00/709402900.db2.gz VEVZKMPKHYUNDX-SJORKVTESA-N 2 1 333.480 1.028 20 0 EDADMP Cn1cc(CC[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001034132929 709402902 /nfs/dbraw/zinc/40/29/02/709402902.db2.gz VEVZKMPKHYUNDX-SJORKVTESA-N 2 1 333.480 1.028 20 0 EDADMP Cn1cc(CC[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001034132929 709402903 /nfs/dbraw/zinc/40/29/03/709402903.db2.gz VEVZKMPKHYUNDX-SJORKVTESA-N 2 1 333.480 1.028 20 0 EDADMP Cc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034135852 709406836 /nfs/dbraw/zinc/40/68/36/709406836.db2.gz FRRKACPIWDWTFJ-ZWKOTPCHSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1ncccc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034135852 709406837 /nfs/dbraw/zinc/40/68/37/709406837.db2.gz FRRKACPIWDWTFJ-ZWKOTPCHSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1ncccc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034135852 709406838 /nfs/dbraw/zinc/40/68/38/709406838.db2.gz FRRKACPIWDWTFJ-ZWKOTPCHSA-N 2 1 330.476 1.955 20 0 EDADMP CC(C)[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cnn(C)c1 ZINC000922894384 709420685 /nfs/dbraw/zinc/42/06/85/709420685.db2.gz KDEQWQDCWAXEIC-QGZVFWFLSA-N 2 1 343.479 1.449 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001034310018 709752837 /nfs/dbraw/zinc/75/28/37/709752837.db2.gz RVIIONMOMZHRNL-ZWKOTPCHSA-N 2 1 348.491 1.979 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001034310018 709752839 /nfs/dbraw/zinc/75/28/39/709752839.db2.gz RVIIONMOMZHRNL-ZWKOTPCHSA-N 2 1 348.491 1.979 20 0 EDADMP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003010489 709781192 /nfs/dbraw/zinc/78/11/92/709781192.db2.gz HOZQIJYNLAWQGY-JKSUJKDBSA-N 2 1 338.496 1.094 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CCc2ccnn2C)C1 ZINC001034395552 709929427 /nfs/dbraw/zinc/92/94/27/709929427.db2.gz AAZFLMZULYGYAA-SJORKVTESA-N 2 1 347.507 1.418 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CCc2ccnn2C)C1 ZINC001034395552 709929428 /nfs/dbraw/zinc/92/94/28/709929428.db2.gz AAZFLMZULYGYAA-SJORKVTESA-N 2 1 347.507 1.418 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CCc2ccnn2C)C1 ZINC001034395552 709929429 /nfs/dbraw/zinc/92/94/29/709929429.db2.gz AAZFLMZULYGYAA-SJORKVTESA-N 2 1 347.507 1.418 20 0 EDADMP CCC(CC)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001003136903 710023495 /nfs/dbraw/zinc/02/34/95/710023495.db2.gz GGAMXFMBCSTKNY-RHSMWYFYSA-N 2 1 325.497 1.722 20 0 EDADMP CCC(CC)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001003136903 710023496 /nfs/dbraw/zinc/02/34/96/710023496.db2.gz GGAMXFMBCSTKNY-RHSMWYFYSA-N 2 1 325.497 1.722 20 0 EDADMP CO[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1)C1CCC1 ZINC001003161128 710070595 /nfs/dbraw/zinc/07/05/95/710070595.db2.gz UZGYLBWWQLXXCO-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1oncc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034490779 710109978 /nfs/dbraw/zinc/10/99/78/710109978.db2.gz NALBAWSRJNPIBQ-RDJZCZTQSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1oncc1C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490779 710109982 /nfs/dbraw/zinc/10/99/82/710109982.db2.gz NALBAWSRJNPIBQ-RDJZCZTQSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1oncc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490779 710109983 /nfs/dbraw/zinc/10/99/83/710109983.db2.gz NALBAWSRJNPIBQ-RDJZCZTQSA-N 2 1 334.464 1.796 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001032836445 710117305 /nfs/dbraw/zinc/11/73/05/710117305.db2.gz JCFOPSSRZBVNDH-GUDVDZBRSA-N 2 1 343.471 1.252 20 0 EDADMP COc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)ccn1 ZINC001034525394 710175658 /nfs/dbraw/zinc/17/56/58/710175658.db2.gz LXRUSGLVFCVHRP-IRXDYDNUSA-N 2 1 346.475 1.513 20 0 EDADMP COc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)ccn1 ZINC001034525394 710175659 /nfs/dbraw/zinc/17/56/59/710175659.db2.gz LXRUSGLVFCVHRP-IRXDYDNUSA-N 2 1 346.475 1.513 20 0 EDADMP COc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC001034525394 710175661 /nfs/dbraw/zinc/17/56/61/710175661.db2.gz LXRUSGLVFCVHRP-IRXDYDNUSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1noc(CCC[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525687 710176210 /nfs/dbraw/zinc/17/62/10/710176210.db2.gz OUHWFFKKHHBDSZ-CVEARBPZSA-N 2 1 349.479 1.233 20 0 EDADMP Cc1noc(CCC[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034525687 710176211 /nfs/dbraw/zinc/17/62/11/710176211.db2.gz OUHWFFKKHHBDSZ-CVEARBPZSA-N 2 1 349.479 1.233 20 0 EDADMP Cc1noc(CCC[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034525687 710176212 /nfs/dbraw/zinc/17/62/12/710176212.db2.gz OUHWFFKKHHBDSZ-CVEARBPZSA-N 2 1 349.479 1.233 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001034527796 710181990 /nfs/dbraw/zinc/18/19/90/710181990.db2.gz IJMLCWHUFSMTEU-SFHVURJKSA-N 2 1 347.507 1.566 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034537885 710210119 /nfs/dbraw/zinc/21/01/19/710210119.db2.gz GMABVQXYAIQDOO-ZWKOTPCHSA-N 2 1 347.507 1.728 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCn2cccn2)C1 ZINC001034537885 710210122 /nfs/dbraw/zinc/21/01/22/710210122.db2.gz GMABVQXYAIQDOO-ZWKOTPCHSA-N 2 1 347.507 1.728 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCn2cccn2)C1 ZINC001034537885 710210124 /nfs/dbraw/zinc/21/01/24/710210124.db2.gz GMABVQXYAIQDOO-ZWKOTPCHSA-N 2 1 347.507 1.728 20 0 EDADMP C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544377 710217961 /nfs/dbraw/zinc/21/79/61/710217961.db2.gz QTFZEJFEKBRLFF-RDJZCZTQSA-N 2 1 333.476 1.713 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000922166873 710315174 /nfs/dbraw/zinc/31/51/74/710315174.db2.gz YVYPKZULLUQWRE-UHFFFAOYSA-N 2 1 341.496 1.058 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003628577 710458723 /nfs/dbraw/zinc/45/87/23/710458723.db2.gz RLZQTBCPWKXLRY-CQSZACIVSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001003628577 710458724 /nfs/dbraw/zinc/45/87/24/710458724.db2.gz RLZQTBCPWKXLRY-CQSZACIVSA-N 2 1 331.464 1.350 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001003738186 710519160 /nfs/dbraw/zinc/51/91/60/710519160.db2.gz ZRDQXXBDDOKEHD-SFHVURJKSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001003738186 710519161 /nfs/dbraw/zinc/51/91/61/710519161.db2.gz ZRDQXXBDDOKEHD-SFHVURJKSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005580438 710610655 /nfs/dbraw/zinc/61/06/55/710610655.db2.gz FYUYLKUHSUVEJU-NVXWUHKLSA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005580438 710610657 /nfs/dbraw/zinc/61/06/57/710610657.db2.gz FYUYLKUHSUVEJU-NVXWUHKLSA-N 2 1 325.497 1.674 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001034673922 710613637 /nfs/dbraw/zinc/61/36/37/710613637.db2.gz HCPJXRRGGKINFM-JYJNAYRXSA-N 2 1 334.464 1.984 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001034671974 710615441 /nfs/dbraw/zinc/61/54/41/710615441.db2.gz FVOZWRGZUDBCBJ-ULQDDVLXSA-N 2 1 334.464 1.984 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001034693070 710783168 /nfs/dbraw/zinc/78/31/68/710783168.db2.gz UGNCFELDIKPVOZ-VQHPVUNQSA-N 2 1 334.464 1.776 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)nn1 ZINC001034734083 710915159 /nfs/dbraw/zinc/91/51/59/710915159.db2.gz JYIIQWCVGJSDSB-BZUAXINKSA-N 2 1 348.495 1.157 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)on1 ZINC001034735579 710920883 /nfs/dbraw/zinc/92/08/83/710920883.db2.gz IXGXCKWCHUJKOP-BZUAXINKSA-N 2 1 334.464 1.984 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(N)=O)CC1 ZINC001034749246 710956624 /nfs/dbraw/zinc/95/66/24/710956624.db2.gz IXWXCPKXPPZOBU-KLHDSHLOSA-N 2 1 338.496 1.140 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001003940422 711032940 /nfs/dbraw/zinc/03/29/40/711032940.db2.gz IOVNGQRAVIYFEM-ZBFHGGJFSA-N 2 1 338.496 1.095 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001003940422 711032944 /nfs/dbraw/zinc/03/29/44/711032944.db2.gz IOVNGQRAVIYFEM-ZBFHGGJFSA-N 2 1 338.496 1.095 20 0 EDADMP Cc1ccncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034791246 711104283 /nfs/dbraw/zinc/10/42/83/711104283.db2.gz HYDXXXHNEASLSQ-KBAYOESNSA-N 2 1 330.476 1.859 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034796506 711127670 /nfs/dbraw/zinc/12/76/70/711127670.db2.gz HUYCIBWRZXDXGM-DSPLQEQRSA-N 2 1 347.507 1.810 20 0 EDADMP Cn1cncc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001034812541 711183016 /nfs/dbraw/zinc/18/30/16/711183016.db2.gz NNGFHYOJOMCXDU-GOSISDBHSA-N 2 1 341.459 1.420 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCc2ccc(C[NH2+]CC3CC3)cc2)C1 ZINC001034823459 711225327 /nfs/dbraw/zinc/22/53/27/711225327.db2.gz VKGUQQJPDKAZTI-LJQANCHMSA-N 2 1 345.487 1.912 20 0 EDADMP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)n1C ZINC001034881524 711282081 /nfs/dbraw/zinc/28/20/81/711282081.db2.gz JYAHDKBJCSIHTP-CABCVRRESA-N 2 1 348.495 1.113 20 0 EDADMP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)n1C ZINC001034881524 711282084 /nfs/dbraw/zinc/28/20/84/711282084.db2.gz JYAHDKBJCSIHTP-CABCVRRESA-N 2 1 348.495 1.113 20 0 EDADMP CCn1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)n1 ZINC001034957803 711430326 /nfs/dbraw/zinc/43/03/26/711430326.db2.gz KAQVYOSYJFICED-MRXNPFEDSA-N 2 1 348.495 1.171 20 0 EDADMP CCn1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)n1 ZINC001034957803 711430330 /nfs/dbraw/zinc/43/03/30/711430330.db2.gz KAQVYOSYJFICED-MRXNPFEDSA-N 2 1 348.495 1.171 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nccn1C ZINC001034959519 711434709 /nfs/dbraw/zinc/43/47/09/711434709.db2.gz ZXVFOIVADKLATM-DLBZAZTESA-N 2 1 347.507 1.764 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(C3CC3)no2)CC[N@H+]1C ZINC001034939439 711441699 /nfs/dbraw/zinc/44/16/99/711441699.db2.gz AFPLIFSWGAXDRN-FRFSOERESA-N 2 1 346.475 1.973 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c(C)s1 ZINC001004145816 711556168 /nfs/dbraw/zinc/55/61/68/711556168.db2.gz VMJHENCOUHJZLB-AWEZNQCLSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c(C)s1 ZINC001004145816 711556169 /nfs/dbraw/zinc/55/61/69/711556169.db2.gz VMJHENCOUHJZLB-AWEZNQCLSA-N 2 1 336.505 1.792 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642283 712126326 /nfs/dbraw/zinc/12/63/26/712126326.db2.gz CKCXNFJEZRHZHG-HCXYKTFWSA-N 2 1 349.519 1.820 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642283 712126330 /nfs/dbraw/zinc/12/63/30/712126330.db2.gz CKCXNFJEZRHZHG-HCXYKTFWSA-N 2 1 349.519 1.820 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642283 712126331 /nfs/dbraw/zinc/12/63/31/712126331.db2.gz CKCXNFJEZRHZHG-HCXYKTFWSA-N 2 1 349.519 1.820 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946644707 712152244 /nfs/dbraw/zinc/15/22/44/712152244.db2.gz ICPHKCIJKQJTHW-INDMIFKZSA-N 2 1 349.519 1.678 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946644707 712152245 /nfs/dbraw/zinc/15/22/45/712152245.db2.gz ICPHKCIJKQJTHW-INDMIFKZSA-N 2 1 349.519 1.678 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946644707 712152246 /nfs/dbraw/zinc/15/22/46/712152246.db2.gz ICPHKCIJKQJTHW-INDMIFKZSA-N 2 1 349.519 1.678 20 0 EDADMP CCC(CC)[C@H](C(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000361098760 282257024 /nfs/dbraw/zinc/25/70/24/282257024.db2.gz UYZFTAYFFVNNNV-FGTMMUONSA-N 2 1 337.508 1.628 20 0 EDADMP CCC(CC)[C@H](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000361098963 282255834 /nfs/dbraw/zinc/25/58/34/282255834.db2.gz UYZFTAYFFVNNNV-RCCFBDPRSA-N 2 1 337.508 1.628 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000158476420 529773670 /nfs/dbraw/zinc/77/36/70/529773670.db2.gz LOMVYWRKHXSQHE-FQEVSTJZSA-N 2 1 342.487 1.260 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000171384261 529999963 /nfs/dbraw/zinc/99/99/63/529999963.db2.gz OEULPAMKHCERLD-UHFFFAOYSA-N 2 1 346.475 1.806 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000103142971 219261538 /nfs/dbraw/zinc/26/15/38/219261538.db2.gz KUIXKKZHCBVHOX-UHFFFAOYSA-N 2 1 344.459 1.382 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000561231298 306284999 /nfs/dbraw/zinc/28/49/99/306284999.db2.gz ZWLSTPOSSCKGPQ-HKUYNNGSSA-N 2 1 330.476 1.986 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000343015574 539776819 /nfs/dbraw/zinc/77/68/19/539776819.db2.gz POXYDHPHXUAXIY-OWCLPIDISA-N 2 1 340.512 1.022 20 0 EDADMP O=C1[C@@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)CCN1c1ccccc1 ZINC000068823565 215337702 /nfs/dbraw/zinc/33/77/02/215337702.db2.gz FYHDCGLDQKGUPB-IBGZPJMESA-N 2 1 343.471 1.836 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000358153381 539982066 /nfs/dbraw/zinc/98/20/66/539982066.db2.gz DANNOBHDFKPFNX-AWEZNQCLSA-N 2 1 343.221 1.334 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000358153381 539982069 /nfs/dbraw/zinc/98/20/69/539982069.db2.gz DANNOBHDFKPFNX-AWEZNQCLSA-N 2 1 343.221 1.334 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000563113299 306318767 /nfs/dbraw/zinc/31/87/67/306318767.db2.gz OVXXJBYLVIIZDT-KRWDZBQOSA-N 2 1 328.460 1.648 20 0 EDADMP [NH3+]CC1(CC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCCCC1 ZINC000184232867 235343010 /nfs/dbraw/zinc/34/30/10/235343010.db2.gz MACZJFSTGUWZJT-KRWDZBQOSA-N 2 1 337.508 1.999 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000360166690 283165217 /nfs/dbraw/zinc/16/52/17/283165217.db2.gz ZLPTVFSZQWKGNQ-HOTGVXAUSA-N 2 1 340.512 1.166 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000360166690 283165220 /nfs/dbraw/zinc/16/52/20/283165220.db2.gz ZLPTVFSZQWKGNQ-HOTGVXAUSA-N 2 1 340.512 1.166 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000360166690 283165221 /nfs/dbraw/zinc/16/52/21/283165221.db2.gz ZLPTVFSZQWKGNQ-HOTGVXAUSA-N 2 1 340.512 1.166 20 0 EDADMP CCC[N@@H+](CCO)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000052691085 138138960 /nfs/dbraw/zinc/13/89/60/138138960.db2.gz ILYIUBZSAPTRMZ-UHFFFAOYSA-N 2 1 347.503 1.734 20 0 EDADMP CCC[NH+](CCO)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000052691085 138138963 /nfs/dbraw/zinc/13/89/63/138138963.db2.gz ILYIUBZSAPTRMZ-UHFFFAOYSA-N 2 1 347.503 1.734 20 0 EDADMP CCC[NH+](CCO)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000052691085 138138965 /nfs/dbraw/zinc/13/89/65/138138965.db2.gz ILYIUBZSAPTRMZ-UHFFFAOYSA-N 2 1 347.503 1.734 20 0 EDADMP C[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563521178 306336752 /nfs/dbraw/zinc/33/67/52/306336752.db2.gz CHEOILJHGMPCNM-UXLLHSPISA-N 2 1 334.464 1.312 20 0 EDADMP C[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563521178 306336753 /nfs/dbraw/zinc/33/67/53/306336753.db2.gz CHEOILJHGMPCNM-UXLLHSPISA-N 2 1 334.464 1.312 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC2CCCC2)C1 ZINC000064020999 138170140 /nfs/dbraw/zinc/17/01/40/138170140.db2.gz HDEVTXCSVBBZGS-QGZVFWFLSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CC2CCCC2)C1 ZINC000064020999 138170144 /nfs/dbraw/zinc/17/01/44/138170144.db2.gz HDEVTXCSVBBZGS-QGZVFWFLSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CC2CCCC2)C1 ZINC000064020999 138170147 /nfs/dbraw/zinc/17/01/47/138170147.db2.gz HDEVTXCSVBBZGS-QGZVFWFLSA-N 2 1 325.497 1.581 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)NCC3CC[NH+](C)CC3)CC2)[nH+]c1 ZINC000074104889 138224792 /nfs/dbraw/zinc/22/47/92/138224792.db2.gz ALGVSUFBHAWZTO-UHFFFAOYSA-N 2 1 345.491 2.000 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCOC3(C[NH2+]C3)C2)c1 ZINC000563561001 306339004 /nfs/dbraw/zinc/33/90/04/306339004.db2.gz GOOFLVCOQXCGLG-UHFFFAOYSA-N 2 1 332.448 1.022 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000563578539 306339551 /nfs/dbraw/zinc/33/95/51/306339551.db2.gz ACHDUQBIGSOTIZ-KBAYOESNSA-N 2 1 346.475 1.581 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105828301 138301976 /nfs/dbraw/zinc/30/19/76/138301976.db2.gz XOFFQSIWBWDCPP-QGZVFWFLSA-N 2 1 333.480 1.329 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C[N@@H+](C)C(C)C)CC2)oc1C ZINC000111155428 138307939 /nfs/dbraw/zinc/30/79/39/138307939.db2.gz LTJIHLWNSSAHGT-UHFFFAOYSA-N 2 1 336.480 1.960 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C[N@H+](C)C(C)C)CC2)oc1C ZINC000111155428 138307940 /nfs/dbraw/zinc/30/79/40/138307940.db2.gz LTJIHLWNSSAHGT-UHFFFAOYSA-N 2 1 336.480 1.960 20 0 EDADMP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000563674449 306344690 /nfs/dbraw/zinc/34/46/90/306344690.db2.gz VAQQGLQZIKXBIQ-HZPDHXFCSA-N 2 1 346.475 1.310 20 0 EDADMP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000563674449 306344691 /nfs/dbraw/zinc/34/46/91/306344691.db2.gz VAQQGLQZIKXBIQ-HZPDHXFCSA-N 2 1 346.475 1.310 20 0 EDADMP C[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000172525172 138665408 /nfs/dbraw/zinc/66/54/08/138665408.db2.gz RBPRBXRQEXPTBY-INIZCTEOSA-N 2 1 326.485 1.130 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000413850901 304081424 /nfs/dbraw/zinc/08/14/24/304081424.db2.gz DEPPETRIKYMMST-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000413850901 304081428 /nfs/dbraw/zinc/08/14/28/304081428.db2.gz DEPPETRIKYMMST-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000413850901 304081431 /nfs/dbraw/zinc/08/14/31/304081431.db2.gz DEPPETRIKYMMST-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000413850901 304081434 /nfs/dbraw/zinc/08/14/34/304081434.db2.gz DEPPETRIKYMMST-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000564648403 306361891 /nfs/dbraw/zinc/36/18/91/306361891.db2.gz UOMCLKDBTRUKAU-PBHICJAKSA-N 2 1 332.448 1.969 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C)cc2C)CC1 ZINC000564845440 306366746 /nfs/dbraw/zinc/36/67/46/306366746.db2.gz ADVLCVDYNGNIDV-SFHVURJKSA-N 2 1 336.476 1.744 20 0 EDADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccc2c(c1)OCO2 ZINC000565716713 306389683 /nfs/dbraw/zinc/38/96/83/306389683.db2.gz MPWRNIVMXXPDKY-SFHVURJKSA-N 2 1 331.416 1.819 20 0 EDADMP COCc1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)no1 ZINC000414522277 304121585 /nfs/dbraw/zinc/12/15/85/304121585.db2.gz GMRLBEJLWYXXEW-UHFFFAOYSA-N 2 1 345.443 1.938 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@@H](c2ccccc2)CO1 ZINC000414693652 304128551 /nfs/dbraw/zinc/12/85/51/304128551.db2.gz FCGDQUGXQIAJRE-SOLBZPMBSA-N 2 1 331.460 1.646 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000414698000 304128803 /nfs/dbraw/zinc/12/88/03/304128803.db2.gz HIHZHJDFIRTDMW-AWEZNQCLSA-N 2 1 332.448 1.335 20 0 EDADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1)CCC2 ZINC000414698482 304129310 /nfs/dbraw/zinc/12/93/10/304129310.db2.gz RAKOEOSBAUXICF-HIFRSBDPSA-N 2 1 336.505 1.958 20 0 EDADMP COc1cc2c(cc1C[N@@H+]1C[C@H](C[NH3+])C3(C1)CCOCC3)OCO2 ZINC000414772485 304139386 /nfs/dbraw/zinc/13/93/86/304139386.db2.gz BVRMIYPEJYTYKI-AWEZNQCLSA-N 2 1 334.416 1.611 20 0 EDADMP COc1cc2c(cc1C[N@H+]1C[C@H](C[NH3+])C3(C1)CCOCC3)OCO2 ZINC000414772485 304139388 /nfs/dbraw/zinc/13/93/88/304139388.db2.gz BVRMIYPEJYTYKI-AWEZNQCLSA-N 2 1 334.416 1.611 20 0 EDADMP COc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1OCc1cccnc1 ZINC000415064026 304155887 /nfs/dbraw/zinc/15/58/87/304155887.db2.gz BKAKPYJJHPVPOY-MRXNPFEDSA-N 2 1 331.416 1.421 20 0 EDADMP COc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1OCc1cccnc1 ZINC000415064026 304155889 /nfs/dbraw/zinc/15/58/89/304155889.db2.gz BKAKPYJJHPVPOY-MRXNPFEDSA-N 2 1 331.416 1.421 20 0 EDADMP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC000415067047 304156602 /nfs/dbraw/zinc/15/66/02/304156602.db2.gz JXDIQSKIJGSUGQ-HOCLYGCPSA-N 2 1 339.480 1.298 20 0 EDADMP CCOc1cc(C[N@H+](C)C[C@H](O)C[NH3+])ccc1OCC(F)(F)F ZINC000415070935 304157066 /nfs/dbraw/zinc/15/70/66/304157066.db2.gz RRAXBAMCAGIBMT-GFCCVEGCSA-N 2 1 336.354 1.778 20 0 EDADMP CCOc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])ccc1OCC(F)(F)F ZINC000415070935 304157068 /nfs/dbraw/zinc/15/70/68/304157068.db2.gz RRAXBAMCAGIBMT-GFCCVEGCSA-N 2 1 336.354 1.778 20 0 EDADMP COC(=O)[C@@](C)(O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000343883988 284223727 /nfs/dbraw/zinc/22/37/27/284223727.db2.gz VLKRDTUCAIHKJD-QAPCUYQASA-N 2 1 326.481 1.887 20 0 EDADMP O=C1N[C@@H]2C[N@H+](Cc3cccc(F)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415133042 304162665 /nfs/dbraw/zinc/16/26/65/304162665.db2.gz BRSZRJCEKKNWCB-SJORKVTESA-N 2 1 332.423 1.546 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415133042 304162667 /nfs/dbraw/zinc/16/26/67/304162667.db2.gz BRSZRJCEKKNWCB-SJORKVTESA-N 2 1 332.423 1.546 20 0 EDADMP O=C1N[C@@H]2C[N@H+](Cc3ccccc3F)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415140397 304163608 /nfs/dbraw/zinc/16/36/08/304163608.db2.gz NDZJYVUQGNKNMY-SJORKVTESA-N 2 1 332.423 1.546 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](Cc3ccccc3F)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415140397 304163609 /nfs/dbraw/zinc/16/36/09/304163609.db2.gz NDZJYVUQGNKNMY-SJORKVTESA-N 2 1 332.423 1.546 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1 ZINC000415172774 304170509 /nfs/dbraw/zinc/17/05/09/304170509.db2.gz PGFKROZUTSCIAZ-INIZCTEOSA-N 2 1 332.448 1.143 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1 ZINC000415172774 304170508 /nfs/dbraw/zinc/17/05/08/304170508.db2.gz PGFKROZUTSCIAZ-INIZCTEOSA-N 2 1 332.448 1.143 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[N@H+]1CCc2ccccc2C1 ZINC000237593790 139055087 /nfs/dbraw/zinc/05/50/87/139055087.db2.gz XENDYRZNSGAXOD-MAUKXSAKSA-N 2 1 327.472 1.939 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237617749 139055821 /nfs/dbraw/zinc/05/58/21/139055821.db2.gz DOGNSRRCMHUXPC-HOTGVXAUSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H](C[NH3+])c2ccccc2)C[C@H](C)O1 ZINC000237666392 139057448 /nfs/dbraw/zinc/05/74/48/139057448.db2.gz IUWMAICFVLLLRF-SOLBZPMBSA-N 2 1 333.476 1.735 20 0 EDADMP [NH3+]C[C@@H]1CCCCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237833706 139061502 /nfs/dbraw/zinc/06/15/02/139061502.db2.gz MXVVVDJIWPNEHI-ZWKOTPCHSA-N 2 1 331.460 1.617 20 0 EDADMP [NH3+]C[C@@H]1CCCCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237833706 139061503 /nfs/dbraw/zinc/06/15/03/139061503.db2.gz MXVVVDJIWPNEHI-ZWKOTPCHSA-N 2 1 331.460 1.617 20 0 EDADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081264328 217375729 /nfs/dbraw/zinc/37/57/29/217375729.db2.gz IYPCJOYVWFHHCY-GOSISDBHSA-N 2 1 349.475 1.354 20 0 EDADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081264328 217375732 /nfs/dbraw/zinc/37/57/32/217375732.db2.gz IYPCJOYVWFHHCY-GOSISDBHSA-N 2 1 349.475 1.354 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000111823781 220199191 /nfs/dbraw/zinc/19/91/91/220199191.db2.gz OSLGWBNMLWNORZ-SFHVURJKSA-N 2 1 348.491 1.658 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000111852236 220209637 /nfs/dbraw/zinc/20/96/37/220209637.db2.gz OPPXMWHHHWZFLZ-KRWDZBQOSA-N 2 1 340.512 1.661 20 0 EDADMP COC(=O)[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@H](C(=O)OC)C2)C1 ZINC000245402712 139072218 /nfs/dbraw/zinc/07/22/18/139072218.db2.gz JBYUFFSBZMMVJS-OBMMGQTPSA-N 2 1 338.448 1.313 20 0 EDADMP CC[N@@H+](CCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000245395099 139071827 /nfs/dbraw/zinc/07/18/27/139071827.db2.gz ZGPKDNHZEYKIMP-GJZGRUSLSA-N 2 1 326.485 1.269 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](C[C@@H](O)COC(C)(C)C)C2)CC1 ZINC000245514984 139077621 /nfs/dbraw/zinc/07/76/21/139077621.db2.gz CXFREJBJSSPJQX-IAGOWNOFSA-N 2 1 327.513 1.264 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C[C@@H](O)COC(C)(C)C)C2)CC1 ZINC000245514984 139077622 /nfs/dbraw/zinc/07/76/22/139077622.db2.gz CXFREJBJSSPJQX-IAGOWNOFSA-N 2 1 327.513 1.264 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3)C2)CC1 ZINC000245950098 139090920 /nfs/dbraw/zinc/09/09/20/139090920.db2.gz YEJSTHIMOFRLHV-ZWKOTPCHSA-N 2 1 333.476 1.138 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]([NH3+])[C@H](C)CC)CC2)cn1 ZINC000245955505 139091208 /nfs/dbraw/zinc/09/12/08/139091208.db2.gz LTUTUBYLFTZFQO-NVXWUHKLSA-N 2 1 335.496 1.701 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]([NH3+])[C@H](C)CC)CC2)cn1 ZINC000245955505 139091209 /nfs/dbraw/zinc/09/12/09/139091209.db2.gz LTUTUBYLFTZFQO-NVXWUHKLSA-N 2 1 335.496 1.701 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000246229607 139100126 /nfs/dbraw/zinc/10/01/26/139100126.db2.gz QUDDWXVZMKDISJ-MAUKXSAKSA-N 2 1 331.460 1.270 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000246229607 139100127 /nfs/dbraw/zinc/10/01/27/139100127.db2.gz QUDDWXVZMKDISJ-MAUKXSAKSA-N 2 1 331.460 1.270 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000246229607 139100128 /nfs/dbraw/zinc/10/01/28/139100128.db2.gz QUDDWXVZMKDISJ-MAUKXSAKSA-N 2 1 331.460 1.270 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000246229607 139100129 /nfs/dbraw/zinc/10/01/29/139100129.db2.gz QUDDWXVZMKDISJ-MAUKXSAKSA-N 2 1 331.460 1.270 20 0 EDADMP COc1ccc(COC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246176214 139097886 /nfs/dbraw/zinc/09/78/86/139097886.db2.gz JPQFESVRWDXCDJ-OALUTQOASA-N 2 1 348.487 1.990 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000246284703 139102615 /nfs/dbraw/zinc/10/26/15/139102615.db2.gz MTZPRSFEHDPUMQ-SOLBZPMBSA-N 2 1 337.508 1.866 20 0 EDADMP CSC[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000246525600 139111938 /nfs/dbraw/zinc/11/19/38/139111938.db2.gz ABZHMQIAJYUYSE-HOTGVXAUSA-N 2 1 343.537 1.287 20 0 EDADMP CSC[C@@H]1CCC[NH+]1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000246525600 139111939 /nfs/dbraw/zinc/11/19/39/139111939.db2.gz ABZHMQIAJYUYSE-HOTGVXAUSA-N 2 1 343.537 1.287 20 0 EDADMP CSC[C@@H]1CCC[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000246525600 139111940 /nfs/dbraw/zinc/11/19/40/139111940.db2.gz ABZHMQIAJYUYSE-HOTGVXAUSA-N 2 1 343.537 1.287 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000246551062 139112354 /nfs/dbraw/zinc/11/23/54/139112354.db2.gz TUSMXOIXXOMVOM-LSDHHAIUSA-N 2 1 333.432 1.004 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000246551062 139112355 /nfs/dbraw/zinc/11/23/55/139112355.db2.gz TUSMXOIXXOMVOM-LSDHHAIUSA-N 2 1 333.432 1.004 20 0 EDADMP CCC[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000246674145 139117162 /nfs/dbraw/zinc/11/71/62/139117162.db2.gz XINHGYIDAFHOJZ-MSOLQXFVSA-N 2 1 339.524 1.972 20 0 EDADMP CCC[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000246674145 139117163 /nfs/dbraw/zinc/11/71/63/139117163.db2.gz XINHGYIDAFHOJZ-MSOLQXFVSA-N 2 1 339.524 1.972 20 0 EDADMP CCC[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000246674145 139117164 /nfs/dbraw/zinc/11/71/64/139117164.db2.gz XINHGYIDAFHOJZ-MSOLQXFVSA-N 2 1 339.524 1.972 20 0 EDADMP Cc1cc(NC(=O)NCC[NH3+])n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000415313905 304192283 /nfs/dbraw/zinc/19/22/83/304192283.db2.gz IHMAQRJMBNYHOT-INIZCTEOSA-N 2 1 342.447 1.719 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000247077031 139134515 /nfs/dbraw/zinc/13/45/15/139134515.db2.gz OPALXYMZZDGGGK-DOTOQJQBSA-N 2 1 337.464 1.622 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000247077031 139134514 /nfs/dbraw/zinc/13/45/14/139134514.db2.gz OPALXYMZZDGGGK-DOTOQJQBSA-N 2 1 337.464 1.622 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000247573926 139152663 /nfs/dbraw/zinc/15/26/63/139152663.db2.gz XEGOLYOHBOKQQZ-MAUKXSAKSA-N 2 1 345.491 1.685 20 0 EDADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CCN(C)CC1 ZINC000248036616 139157442 /nfs/dbraw/zinc/15/74/42/139157442.db2.gz RRDJMOBFLYQLAA-UYAOXDASSA-N 3 1 345.535 1.519 20 0 EDADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820964 218171769 /nfs/dbraw/zinc/17/17/69/218171769.db2.gz BLXCTSZXUONZLS-ZDUSSCGKSA-N 2 1 333.436 1.203 20 0 EDADMP CC[N@@H+](C[C@@H](O)CN1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000248905763 139180135 /nfs/dbraw/zinc/18/01/35/139180135.db2.gz YLLJDYRHTUZVHZ-PMACEKPBSA-N 2 1 347.503 1.276 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000093132945 218196418 /nfs/dbraw/zinc/19/64/18/218196418.db2.gz HOLBBGWOOJJPKL-KRWDZBQOSA-N 2 1 333.476 1.916 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC[N@H+]2CCCC[C@@H]2CC)C1(C)C ZINC000249060895 139184441 /nfs/dbraw/zinc/18/44/41/139184441.db2.gz GRAKBOJCDHXIBK-DAYGRLMNSA-N 2 1 325.497 1.900 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000251669591 139202262 /nfs/dbraw/zinc/20/22/62/139202262.db2.gz LQQAMMUHXSRSNR-XHSDSOJGSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261638078 139213339 /nfs/dbraw/zinc/21/33/39/139213339.db2.gz IAZNGFRLVJZRHA-SFHVURJKSA-N 2 1 330.476 1.728 20 0 EDADMP CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261638078 139213340 /nfs/dbraw/zinc/21/33/40/139213340.db2.gz IAZNGFRLVJZRHA-SFHVURJKSA-N 2 1 330.476 1.728 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)C3([NH3+])CCOCC3)c2)C[C@H](C)O1 ZINC000261654392 139214725 /nfs/dbraw/zinc/21/47/25/139214725.db2.gz AQHHMATYLRIAHA-GJZGRUSLSA-N 2 1 347.459 1.742 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CCOc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000261765938 139224246 /nfs/dbraw/zinc/22/42/46/139224246.db2.gz WIAXYSRVKOQSGB-SJLPKXTDSA-N 2 1 331.460 1.646 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(OC)c1OC ZINC000261749949 139222931 /nfs/dbraw/zinc/22/29/31/139222931.db2.gz URHVTTSSBBUQGX-HNNXBMFYSA-N 2 1 335.448 1.192 20 0 EDADMP C[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000261838846 139230479 /nfs/dbraw/zinc/23/04/79/139230479.db2.gz NPDJGTBLZNNGKU-ROUUACIJSA-N 2 1 344.503 1.703 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)O1 ZINC000261930876 139237980 /nfs/dbraw/zinc/23/79/80/139237980.db2.gz ZTGJNRJMPOQMFO-KSZLIROESA-N 2 1 331.460 1.174 20 0 EDADMP CN1c2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2CCC1=O ZINC000262091003 139250227 /nfs/dbraw/zinc/25/02/27/139250227.db2.gz GZYDPMMOZOFIFH-KRWDZBQOSA-N 2 1 328.460 1.075 20 0 EDADMP O=C(N1CCC[N@H+](C2CCCC2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262253661 139263881 /nfs/dbraw/zinc/26/38/81/139263881.db2.gz LRNBNUUJVDYTOS-UHFFFAOYSA-N 2 1 345.491 1.439 20 0 EDADMP C[N@@H+](CCCNC(=O)NC[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000417004482 251127239 /nfs/dbraw/zinc/12/72/39/251127239.db2.gz CIXVGLRFMSTOEG-MRXNPFEDSA-N 2 1 326.485 1.319 20 0 EDADMP CO[C@H]1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000417009161 251129435 /nfs/dbraw/zinc/12/94/35/251129435.db2.gz MYLLAKZVUPZEJB-ROUUACIJSA-N 2 1 346.475 1.192 20 0 EDADMP COCC1(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000262315423 139269454 /nfs/dbraw/zinc/26/94/54/139269454.db2.gz BHBKJLMMFUTJNE-UHFFFAOYSA-N 2 1 345.487 1.567 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417012319 251130728 /nfs/dbraw/zinc/13/07/28/251130728.db2.gz WXXUDJHDXGWNMM-INIZCTEOSA-N 2 1 330.476 1.686 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000417016814 251133896 /nfs/dbraw/zinc/13/38/96/251133896.db2.gz ITDCDIOHZFBVBH-QGZVFWFLSA-N 2 1 347.507 1.183 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417019388 251134339 /nfs/dbraw/zinc/13/43/39/251134339.db2.gz ISGKSCKATXQRGU-WMZOPIPTSA-N 2 1 330.476 1.861 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416999319 251124701 /nfs/dbraw/zinc/12/47/01/251124701.db2.gz BYQODMFEARHSDZ-ZWKOTPCHSA-N 2 1 328.460 1.438 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000417222836 251148180 /nfs/dbraw/zinc/14/81/80/251148180.db2.gz QUMIUPZMUWKFMB-RANZSIQMSA-N 2 1 328.460 1.825 20 0 EDADMP COC[C@H]([NH3+])C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000262349006 139272160 /nfs/dbraw/zinc/27/21/60/139272160.db2.gz UFMGDCBNYBBKSY-IRXDYDNUSA-N 2 1 333.476 1.549 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000262342522 139271627 /nfs/dbraw/zinc/27/16/27/139271627.db2.gz IBOGSTXARHPWOX-APWZRJJASA-N 2 1 345.487 1.913 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NCCC3=CC[NH2+]CC3)CC2)[nH+]1 ZINC000417703070 251233613 /nfs/dbraw/zinc/23/36/13/251233613.db2.gz QFOSNECWUCDYCR-UHFFFAOYSA-N 2 1 343.475 1.968 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NC[C@@H]3CCC[NH2+]C3)CC2)[nH+]1 ZINC000417709648 251237190 /nfs/dbraw/zinc/23/71/90/251237190.db2.gz ZYMRAPKDWJWALJ-OAHLLOKOSA-N 2 1 331.464 1.658 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000417670643 251223169 /nfs/dbraw/zinc/22/31/69/251223169.db2.gz OPHZTEBXJORKKH-XHSDSOJGSA-N 2 1 326.485 1.127 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417674584 251225117 /nfs/dbraw/zinc/22/51/17/251225117.db2.gz ZVSUKLXEFGPTQI-QRVBRYPASA-N 2 1 342.487 1.902 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000417719163 251241577 /nfs/dbraw/zinc/24/15/77/251241577.db2.gz WLPLUCZMXNLZQD-MSOLQXFVSA-N 2 1 348.491 1.830 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000417727122 251245146 /nfs/dbraw/zinc/24/51/46/251245146.db2.gz NMPATIJTBKACBD-HUUCEWRRSA-N 2 1 334.464 1.474 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262444413 139279431 /nfs/dbraw/zinc/27/94/31/139279431.db2.gz TXHPBSKECNAIGR-BZSNNMDCSA-N 2 1 344.503 1.701 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000417752391 251255941 /nfs/dbraw/zinc/25/59/41/251255941.db2.gz MMQCWJUIPGAFFS-IXDOHACOSA-N 2 1 339.528 1.029 20 0 EDADMP C[C@@H](CCNC(=O)N1CCO[C@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000417822950 251284666 /nfs/dbraw/zinc/28/46/66/251284666.db2.gz XPCPNERDXDJTHN-DOTOQJQBSA-N 2 1 334.464 1.266 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417874259 251309308 /nfs/dbraw/zinc/30/93/08/251309308.db2.gz MVHJJJPNHCTFQB-RDJZCZTQSA-N 2 1 334.464 1.185 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000417992967 251318924 /nfs/dbraw/zinc/31/89/24/251318924.db2.gz NGBSPFKXCGIZEO-ROUUACIJSA-N 2 1 348.491 1.426 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000418113391 251326398 /nfs/dbraw/zinc/32/63/98/251326398.db2.gz JHZOXOBMPSDHJL-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000417859762 251301207 /nfs/dbraw/zinc/30/12/07/251301207.db2.gz SRRUEQQFFODSCF-CQSZACIVSA-N 2 1 345.447 1.777 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418422494 251366322 /nfs/dbraw/zinc/36/63/22/251366322.db2.gz ISUQMHGHLKYMSQ-JKSUJKDBSA-N 2 1 340.512 1.504 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000418425724 251366773 /nfs/dbraw/zinc/36/67/73/251366773.db2.gz KGYMQXDLCDIDNH-HNNXBMFYSA-N 2 1 327.517 1.075 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C[C@@H]1C ZINC000418473257 251373932 /nfs/dbraw/zinc/37/39/32/251373932.db2.gz XHDRHHHZHGMRJX-LSDHHAIUSA-N 2 1 334.464 1.568 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C[C@@H]1C ZINC000418473257 251373934 /nfs/dbraw/zinc/37/39/34/251373934.db2.gz XHDRHHHZHGMRJX-LSDHHAIUSA-N 2 1 334.464 1.568 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000418198247 251354519 /nfs/dbraw/zinc/35/45/19/251354519.db2.gz VALBUWKVXNIDFU-NXWXRZEISA-N 2 1 342.487 1.900 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@H+]1CCOC ZINC000418384414 251363610 /nfs/dbraw/zinc/36/36/10/251363610.db2.gz OHIWQNJTLJWUAG-DLBZAZTESA-N 2 1 340.512 1.646 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1[NH+]1CCOCC1 ZINC000418712300 251393142 /nfs/dbraw/zinc/39/31/42/251393142.db2.gz GMDVHZJYVBEBPS-WCXIOVBPSA-N 2 1 338.496 1.256 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C(F)F ZINC000418713193 251393281 /nfs/dbraw/zinc/39/32/81/251393281.db2.gz ONGNRCABXBNMDI-OAHLLOKOSA-N 2 1 340.418 1.886 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)c1 ZINC000418626082 251380778 /nfs/dbraw/zinc/38/07/78/251380778.db2.gz ROERLOYXDGFRTP-INIZCTEOSA-N 2 1 331.464 1.739 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418686926 251386874 /nfs/dbraw/zinc/38/68/74/251386874.db2.gz QABGQTRBFWYIOH-WKILWMFISA-N 2 1 326.485 1.115 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000262637243 139292087 /nfs/dbraw/zinc/29/20/87/139292087.db2.gz IEXCHKJGONNMPV-ZACQAIPSSA-N 2 1 330.476 1.441 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)C1 ZINC000262653208 139293323 /nfs/dbraw/zinc/29/33/23/139293323.db2.gz SNNFXLOEGQXOBH-BZUAXINKSA-N 2 1 344.459 1.450 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2csc(C[NH3+])n2)C1 ZINC000262659978 139294072 /nfs/dbraw/zinc/29/40/72/139294072.db2.gz FPRXXXMBOXNGOM-LBPRGKRZSA-N 2 1 326.466 1.175 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)[C@@H]3CCC[NH2+]C3)CCCCC2)CCO1 ZINC000262669818 139295033 /nfs/dbraw/zinc/29/50/33/139295033.db2.gz MWPDGERWUNJOMG-MRXNPFEDSA-N 2 1 337.508 1.916 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262702365 139297404 /nfs/dbraw/zinc/29/74/04/139297404.db2.gz CMYHGWCPIRJKCF-HZPDHXFCSA-N 2 1 333.480 1.658 20 0 EDADMP Cc1csc2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc(=O)n12 ZINC000420343369 251686654 /nfs/dbraw/zinc/68/66/54/251686654.db2.gz QVMMYGWBFAFWHS-KBPBESRZSA-N 2 1 332.473 1.886 20 0 EDADMP CC(C)C[C@@](C)(C[NH3+])NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000422870689 252005984 /nfs/dbraw/zinc/00/59/84/252005984.db2.gz XWPXAVBMTNVWNJ-SFHVURJKSA-N 2 1 335.496 1.512 20 0 EDADMP CC[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)[C@@H]1CCCC[NH2+]1 ZINC000422904837 252018596 /nfs/dbraw/zinc/01/85/96/252018596.db2.gz YBNQUFOXZIGVOK-BPUTZDHNSA-N 2 1 336.432 1.665 20 0 EDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422909652 252020008 /nfs/dbraw/zinc/02/00/08/252020008.db2.gz GMVSTYOWBYTOEU-PKOBYXMFSA-N 2 1 344.503 1.703 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000423932234 252105722 /nfs/dbraw/zinc/10/57/22/252105722.db2.gz NTUJVWAVFIIEFU-DOADOZAASA-N 2 1 343.471 1.564 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000423932234 252105723 /nfs/dbraw/zinc/10/57/23/252105723.db2.gz NTUJVWAVFIIEFU-DOADOZAASA-N 2 1 343.471 1.564 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)c2c[nH+]ccc2N)CCC[N@H+]1C ZINC000423932230 252105862 /nfs/dbraw/zinc/10/58/62/252105862.db2.gz NSZKXHGKGUNESW-BLLLJJGKSA-N 2 1 328.420 1.041 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000424025529 252118112 /nfs/dbraw/zinc/11/81/12/252118112.db2.gz ZHBXBTAHOPZMLN-SJLPKXTDSA-N 2 1 344.503 1.484 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424150937 252145013 /nfs/dbraw/zinc/14/50/13/252145013.db2.gz ZYWCJFBGALZXDN-CABCVRRESA-N 2 1 334.468 1.197 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@H]1C ZINC000424445428 252234013 /nfs/dbraw/zinc/23/40/13/252234013.db2.gz FNBQJIFTKUEYAS-RHSMWYFYSA-N 2 1 346.475 1.723 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C[C@@H]1CC ZINC000263031732 139318699 /nfs/dbraw/zinc/31/86/99/139318699.db2.gz RZOUANJWQSAPHT-XYJFISCASA-N 2 1 325.497 1.853 20 0 EDADMP COC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000167546930 532973789 /nfs/dbraw/zinc/97/37/89/532973789.db2.gz PDNMQRACNNEKBL-SJLPKXTDSA-N 2 1 345.487 1.924 20 0 EDADMP CCN(C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1)CC(F)(F)F ZINC000351515900 285033501 /nfs/dbraw/zinc/03/35/01/285033501.db2.gz DLGMPMFOYOXXCJ-DZGCQCFKSA-N 2 1 337.430 1.648 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1)CC(F)(F)F ZINC000351515900 285033504 /nfs/dbraw/zinc/03/35/04/285033504.db2.gz DLGMPMFOYOXXCJ-DZGCQCFKSA-N 2 1 337.430 1.648 20 0 EDADMP CCN(C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1)CC(F)(F)F ZINC000351515900 285033507 /nfs/dbraw/zinc/03/35/07/285033507.db2.gz DLGMPMFOYOXXCJ-DZGCQCFKSA-N 2 1 337.430 1.648 20 0 EDADMP CCN(C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1)CC(F)(F)F ZINC000351515900 285033509 /nfs/dbraw/zinc/03/35/09/285033509.db2.gz DLGMPMFOYOXXCJ-DZGCQCFKSA-N 2 1 337.430 1.648 20 0 EDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)C[NH3+])c2C1 ZINC000415641051 304244923 /nfs/dbraw/zinc/24/49/23/304244923.db2.gz KFQGOHJCBXJZLK-STQMWFEESA-N 2 1 332.448 1.449 20 0 EDADMP COCC[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000374461265 285075224 /nfs/dbraw/zinc/07/52/24/285075224.db2.gz VJCXXNXQBIBVNL-QFBILLFUSA-N 2 1 349.475 1.430 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112296589 220292242 /nfs/dbraw/zinc/29/22/42/220292242.db2.gz OZMLYLYPCLRKMD-UHFFFAOYSA-N 2 1 331.464 1.001 20 0 EDADMP CC[N@H+]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112296589 220292247 /nfs/dbraw/zinc/29/22/47/220292247.db2.gz OZMLYLYPCLRKMD-UHFFFAOYSA-N 2 1 331.464 1.001 20 0 EDADMP CCOC[C@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000489079709 255063804 /nfs/dbraw/zinc/06/38/04/255063804.db2.gz SIMWSFBDOVBCGJ-PMRDEQMMSA-N 2 1 338.496 1.364 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccccn1 ZINC000449826742 285247898 /nfs/dbraw/zinc/24/78/98/285247898.db2.gz SJCMNSFOUKNJEL-DLBZAZTESA-N 2 1 348.491 1.723 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493979447 255229561 /nfs/dbraw/zinc/22/95/61/255229561.db2.gz ZXFXRVQUXSRQDQ-LMDPOFIKSA-N 2 1 345.487 1.911 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000495442726 255284929 /nfs/dbraw/zinc/28/49/29/255284929.db2.gz KKQHALFHXNVGLW-KRWWSPQJSA-N 2 1 339.480 1.573 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000495442726 255284930 /nfs/dbraw/zinc/28/49/30/255284930.db2.gz KKQHALFHXNVGLW-KRWWSPQJSA-N 2 1 339.480 1.573 20 0 EDADMP COCCO[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000189685317 533196738 /nfs/dbraw/zinc/19/67/38/533196738.db2.gz YHHQAWSLIUCGKM-ROUUACIJSA-N 2 1 349.475 1.143 20 0 EDADMP COCCO[C@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000189685317 533196744 /nfs/dbraw/zinc/19/67/44/533196744.db2.gz YHHQAWSLIUCGKM-ROUUACIJSA-N 2 1 349.475 1.143 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000115810771 220906298 /nfs/dbraw/zinc/90/62/98/220906298.db2.gz XBDTYUFQHYMIES-OAHLLOKOSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COc1cccnc1 ZINC000263955316 139372031 /nfs/dbraw/zinc/37/20/31/139372031.db2.gz MLRAPPQXGLIULR-MRXNPFEDSA-N 2 1 334.464 1.335 20 0 EDADMP CC(C)(O)[C@H]1CCC[N@H+]1CCOCC[NH+]1CCC[C@H]1C(C)(C)O ZINC000119032692 221227061 /nfs/dbraw/zinc/22/70/61/221227061.db2.gz QITOYIIIBJSASE-IYBDPMFKSA-N 2 1 328.497 1.474 20 0 EDADMP CC(C)(O)[C@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000119032692 221227062 /nfs/dbraw/zinc/22/70/62/221227062.db2.gz QITOYIIIBJSASE-IYBDPMFKSA-N 2 1 328.497 1.474 20 0 EDADMP CC(C)(O)[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1C(C)(C)O ZINC000119032692 221227065 /nfs/dbraw/zinc/22/70/65/221227065.db2.gz QITOYIIIBJSASE-IYBDPMFKSA-N 2 1 328.497 1.474 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000264335373 139398175 /nfs/dbraw/zinc/39/81/75/139398175.db2.gz YFCWCIDTQPNXOT-UHFFFAOYSA-N 2 1 336.480 1.420 20 0 EDADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000246980983 285365101 /nfs/dbraw/zinc/36/51/01/285365101.db2.gz JQSNTNKAOARJIK-KGLIPLIRSA-N 2 1 325.478 1.587 20 0 EDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000246980983 285365103 /nfs/dbraw/zinc/36/51/03/285365103.db2.gz JQSNTNKAOARJIK-KGLIPLIRSA-N 2 1 325.478 1.587 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000415925363 304285821 /nfs/dbraw/zinc/28/58/21/304285821.db2.gz XVFARQJRKBOYRB-LSDHHAIUSA-N 2 1 334.464 1.715 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000416047559 304287139 /nfs/dbraw/zinc/28/71/39/304287139.db2.gz PFBRRDXICREQBO-AWEZNQCLSA-N 2 1 344.381 1.792 20 0 EDADMP C[NH+](C)[C@H](CC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC000416256689 304300702 /nfs/dbraw/zinc/30/07/02/304300702.db2.gz ZIOUPHWVQYMACA-QGZVFWFLSA-N 2 1 333.476 1.906 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@H+](CCCOC(=O)NC(N)=O)C2)[nH+]1 ZINC000270422490 140097311 /nfs/dbraw/zinc/09/73/11/140097311.db2.gz GLJRVRMWFFEKBG-CYBMUJFWSA-N 2 1 335.408 1.319 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCOC(=O)NC(N)=O)C2)[nH+]1 ZINC000270422490 140097313 /nfs/dbraw/zinc/09/73/13/140097313.db2.gz GLJRVRMWFFEKBG-CYBMUJFWSA-N 2 1 335.408 1.319 20 0 EDADMP C[NH+](C)C/C=C/C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000270942710 140204368 /nfs/dbraw/zinc/20/43/68/140204368.db2.gz WPTQZDAIVKRCBU-TYKASLFTSA-N 2 1 331.460 1.103 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000332110758 141124807 /nfs/dbraw/zinc/12/48/07/141124807.db2.gz VWWJCFJCXLSLAU-VNHYZAJKSA-N 2 1 336.505 1.873 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000332110758 141124809 /nfs/dbraw/zinc/12/48/09/141124809.db2.gz VWWJCFJCXLSLAU-VNHYZAJKSA-N 2 1 336.505 1.873 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000333459501 141320515 /nfs/dbraw/zinc/32/05/15/141320515.db2.gz PGTFQLOXXRCQOJ-LLVKDONJSA-N 2 1 330.436 1.435 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000333459501 141320516 /nfs/dbraw/zinc/32/05/16/141320516.db2.gz PGTFQLOXXRCQOJ-LLVKDONJSA-N 2 1 330.436 1.435 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1CCOC ZINC000333509441 141329026 /nfs/dbraw/zinc/32/90/26/141329026.db2.gz IUZWJIJLAWZXBJ-MWDXBVQZSA-N 2 1 338.496 1.127 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000333862114 141396549 /nfs/dbraw/zinc/39/65/49/141396549.db2.gz QDJCZFUOHABYNF-LSDHHAIUSA-N 2 1 334.464 1.315 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCCC[NH+]2CCC(C)CC2)[N@@H+](C)C1 ZINC000345966761 143152191 /nfs/dbraw/zinc/15/21/91/143152191.db2.gz BWEDFSHXOXDSAN-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000346344298 143194290 /nfs/dbraw/zinc/19/42/90/143194290.db2.gz DASOVIVZNLCQRM-HOTGVXAUSA-N 2 1 339.528 1.137 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC000346344298 143194292 /nfs/dbraw/zinc/19/42/92/143194292.db2.gz DASOVIVZNLCQRM-HOTGVXAUSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000346695517 143232994 /nfs/dbraw/zinc/23/29/94/143232994.db2.gz CTIRJWRSGPAIDO-YVWKXTFCSA-N 2 1 329.488 1.838 20 0 EDADMP C[C@@H]1C[C@@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000346695517 143232995 /nfs/dbraw/zinc/23/29/95/143232995.db2.gz CTIRJWRSGPAIDO-YVWKXTFCSA-N 2 1 329.488 1.838 20 0 EDADMP C[C@@H]1C[C@@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000346695517 143232996 /nfs/dbraw/zinc/23/29/96/143232996.db2.gz CTIRJWRSGPAIDO-YVWKXTFCSA-N 2 1 329.488 1.838 20 0 EDADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000347045374 143275880 /nfs/dbraw/zinc/27/58/80/143275880.db2.gz NPNPMTFXPJEPMB-OAHLLOKOSA-N 2 1 335.448 1.381 20 0 EDADMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000347836388 143368852 /nfs/dbraw/zinc/36/88/52/143368852.db2.gz SRDSVNLZGDNSFO-HOCLYGCPSA-N 2 1 332.448 1.205 20 0 EDADMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000347836388 143368853 /nfs/dbraw/zinc/36/88/53/143368853.db2.gz SRDSVNLZGDNSFO-HOCLYGCPSA-N 2 1 332.448 1.205 20 0 EDADMP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348080315 143398548 /nfs/dbraw/zinc/39/85/48/143398548.db2.gz HZGLFMURZUAWRU-BQFCYCMXSA-N 2 1 337.487 1.749 20 0 EDADMP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348080315 143398549 /nfs/dbraw/zinc/39/85/49/143398549.db2.gz HZGLFMURZUAWRU-BQFCYCMXSA-N 2 1 337.487 1.749 20 0 EDADMP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348080315 143398550 /nfs/dbraw/zinc/39/85/50/143398550.db2.gz HZGLFMURZUAWRU-BQFCYCMXSA-N 2 1 337.487 1.749 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000416841306 304350633 /nfs/dbraw/zinc/35/06/33/304350633.db2.gz LZLSOZLFESJKKJ-VYDXJSESSA-N 2 1 346.475 1.834 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000416844255 304351420 /nfs/dbraw/zinc/35/14/20/304351420.db2.gz PYUKEKCJYLVPLV-ZBFHGGJFSA-N 2 1 334.464 1.597 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)CCCCCC1 ZINC000416847783 304351805 /nfs/dbraw/zinc/35/18/05/304351805.db2.gz KMKJELCXOAYBIY-INIZCTEOSA-N 2 1 328.476 1.984 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)CC[NH+](C)C)[C@H](C)C1 ZINC000356084035 286060230 /nfs/dbraw/zinc/06/02/30/286060230.db2.gz DFGDNNHKRZZGST-CVEARBPZSA-N 2 1 328.501 1.326 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)[NH+](C)C ZINC000416858301 304352371 /nfs/dbraw/zinc/35/23/71/304352371.db2.gz YVNIAFVZZNEITB-GOEBONIOSA-N 2 1 336.480 1.971 20 0 EDADMP Cn1cc([C@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)CCC[N@H+]2C)cn1 ZINC000369925902 155236266 /nfs/dbraw/zinc/23/62/66/155236266.db2.gz GTJOIJZWCOQOAF-NVXWUHKLSA-N 2 1 333.480 1.261 20 0 EDADMP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369961879 155253993 /nfs/dbraw/zinc/25/39/93/155253993.db2.gz MEELWKULHCGEBY-YYIAUSFCSA-N 2 1 325.497 1.626 20 0 EDADMP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369961879 155253996 /nfs/dbraw/zinc/25/39/96/155253996.db2.gz MEELWKULHCGEBY-YYIAUSFCSA-N 2 1 325.497 1.626 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[NH2+]Cc2cncc(F)c2)cc[nH+]1 ZINC000354927411 150037012 /nfs/dbraw/zinc/03/70/12/150037012.db2.gz IIBFXTIDKLBOHD-LSDHHAIUSA-N 2 1 348.401 1.783 20 0 EDADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000355553665 150312352 /nfs/dbraw/zinc/31/23/52/150312352.db2.gz LLADVSDMVGJOFH-QRVBRYPASA-N 2 1 347.503 1.905 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c2n1CCCC2 ZINC000370000571 155274604 /nfs/dbraw/zinc/27/46/04/155274604.db2.gz YDIURMUVDISKPJ-CYBMUJFWSA-N 2 1 331.464 1.977 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c2n1CCCC2 ZINC000370000571 155274606 /nfs/dbraw/zinc/27/46/06/155274606.db2.gz YDIURMUVDISKPJ-CYBMUJFWSA-N 2 1 331.464 1.977 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000358092151 151267119 /nfs/dbraw/zinc/26/71/19/151267119.db2.gz GNNVNNJLCZMTGI-HOTGVXAUSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000358092151 151267121 /nfs/dbraw/zinc/26/71/21/151267121.db2.gz GNNVNNJLCZMTGI-HOTGVXAUSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000358092151 151267124 /nfs/dbraw/zinc/26/71/24/151267124.db2.gz GNNVNNJLCZMTGI-HOTGVXAUSA-N 2 1 340.512 1.071 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000358476725 151389771 /nfs/dbraw/zinc/38/97/71/151389771.db2.gz YEOICHIEYOTCAH-KRWDZBQOSA-N 2 1 348.491 1.872 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360406600 152024899 /nfs/dbraw/zinc/02/48/99/152024899.db2.gz OCHQALVBUOPJQJ-YESZJQIVSA-N 2 1 338.496 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360406600 152024902 /nfs/dbraw/zinc/02/49/02/152024902.db2.gz OCHQALVBUOPJQJ-YESZJQIVSA-N 2 1 338.496 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360406600 152024907 /nfs/dbraw/zinc/02/49/07/152024907.db2.gz OCHQALVBUOPJQJ-YESZJQIVSA-N 2 1 338.496 1.080 20 0 EDADMP CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000360562475 152097160 /nfs/dbraw/zinc/09/71/60/152097160.db2.gz RPSWZZGQRYTNBK-MOPGFXCFSA-N 2 1 347.503 1.935 20 0 EDADMP CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000360562475 152097164 /nfs/dbraw/zinc/09/71/64/152097164.db2.gz RPSWZZGQRYTNBK-MOPGFXCFSA-N 2 1 347.503 1.935 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000360670907 152146368 /nfs/dbraw/zinc/14/63/68/152146368.db2.gz ZXZHAHBXXMFEDZ-RDJZCZTQSA-N 2 1 342.553 1.843 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC([NH+](C)CCO)CC1 ZINC000360782258 152202649 /nfs/dbraw/zinc/20/26/49/152202649.db2.gz CCPOJSYVWBXGMT-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000360782258 152202651 /nfs/dbraw/zinc/20/26/51/152202651.db2.gz CCPOJSYVWBXGMT-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000360782258 152202654 /nfs/dbraw/zinc/20/26/54/152202654.db2.gz CCPOJSYVWBXGMT-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000361000596 152275590 /nfs/dbraw/zinc/27/55/90/152275590.db2.gz YYRSFSSKUFZXMD-BHIYHBOVSA-N 2 1 342.487 1.013 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000361000596 152275592 /nfs/dbraw/zinc/27/55/92/152275592.db2.gz YYRSFSSKUFZXMD-BHIYHBOVSA-N 2 1 342.487 1.013 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000361000596 152275594 /nfs/dbraw/zinc/27/55/94/152275594.db2.gz YYRSFSSKUFZXMD-BHIYHBOVSA-N 2 1 342.487 1.013 20 0 EDADMP C[C@@H](C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000574052569 306642009 /nfs/dbraw/zinc/64/20/09/306642009.db2.gz AXAYNVGZAUAHLA-KRWDZBQOSA-N 2 1 345.487 1.470 20 0 EDADMP CC[NH+](CC)CCOC1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000361309132 152358556 /nfs/dbraw/zinc/35/85/56/152358556.db2.gz NNWCKHXCRHCMQF-UHFFFAOYSA-N 2 1 327.513 1.532 20 0 EDADMP CC[NH+](CC)CCOC1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000361309132 152358558 /nfs/dbraw/zinc/35/85/58/152358558.db2.gz NNWCKHXCRHCMQF-UHFFFAOYSA-N 2 1 327.513 1.532 20 0 EDADMP CN1CC[NH+](CC2(C)CCN(CC[N@@H+]3CCCOCC3)CC2)CC1 ZINC000361339396 152365410 /nfs/dbraw/zinc/36/54/10/152365410.db2.gz MMPBEBQWOMNIPQ-UHFFFAOYSA-N 2 1 338.540 1.058 20 0 EDADMP CN1CC[NH+](CC2(C)CCN(CC[N@H+]3CCCOCC3)CC2)CC1 ZINC000361339396 152365411 /nfs/dbraw/zinc/36/54/11/152365411.db2.gz MMPBEBQWOMNIPQ-UHFFFAOYSA-N 2 1 338.540 1.058 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362563787 152744605 /nfs/dbraw/zinc/74/46/05/152744605.db2.gz CQOVJZBMTHOBDT-OWCLPIDISA-N 2 1 347.507 1.975 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[NH+](CCCOC)CC1)C1CC1 ZINC000363558891 153000669 /nfs/dbraw/zinc/00/06/69/153000669.db2.gz WDEXCUYLJAIIQD-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+](CCNC(=O)N1CCC[N@H+](CCCOC)CC1)C1CC1 ZINC000363558891 153000671 /nfs/dbraw/zinc/00/06/71/153000671.db2.gz WDEXCUYLJAIIQD-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+](CCNC(=O)N1CCC[N@@H+](CCCOC)CC1)C1CC1 ZINC000363558891 153000673 /nfs/dbraw/zinc/00/06/73/153000673.db2.gz WDEXCUYLJAIIQD-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000363696713 153033090 /nfs/dbraw/zinc/03/30/90/153033090.db2.gz WVANUKYAQGNCPT-KZNAEPCWSA-N 2 1 346.475 1.452 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1nnc(C2CC2)n1C ZINC000363707388 153035194 /nfs/dbraw/zinc/03/51/94/153035194.db2.gz QIVCYQIRILQUKE-KBMXLJTQSA-N 2 1 333.480 1.672 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417193003 304382727 /nfs/dbraw/zinc/38/27/27/304382727.db2.gz ZNTPMMRHYHKSSX-ZWKOTPCHSA-N 2 1 346.475 1.445 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1C ZINC000364601342 153284521 /nfs/dbraw/zinc/28/45/21/153284521.db2.gz GUGPWYZVNFJNKR-HNNXBMFYSA-N 2 1 345.447 1.612 20 0 EDADMP C[NH+]1CCC([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000367207401 154042090 /nfs/dbraw/zinc/04/20/90/154042090.db2.gz XCNRRLFNDRDVKG-CYBMUJFWSA-N 2 1 343.518 1.443 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)CC1 ZINC000367381334 154095940 /nfs/dbraw/zinc/09/59/40/154095940.db2.gz XREHKXWOQWSFDO-RCCFBDPRSA-N 2 1 337.508 1.678 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)CC1 ZINC000367381334 154095945 /nfs/dbraw/zinc/09/59/45/154095945.db2.gz XREHKXWOQWSFDO-RCCFBDPRSA-N 2 1 337.508 1.678 20 0 EDADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000367527003 154160746 /nfs/dbraw/zinc/16/07/46/154160746.db2.gz LPLKLWRGYDUDHO-OAHLLOKOSA-N 2 1 343.537 1.796 20 0 EDADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367659997 154218850 /nfs/dbraw/zinc/21/88/50/154218850.db2.gz LYUUNDCMIXHNNV-IAGOWNOFSA-N 2 1 338.540 1.639 20 0 EDADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367659997 154218852 /nfs/dbraw/zinc/21/88/52/154218852.db2.gz LYUUNDCMIXHNNV-IAGOWNOFSA-N 2 1 338.540 1.639 20 0 EDADMP CN(c1ccccc1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)C1CC[NH+](C)CC1 ZINC000367780069 154267015 /nfs/dbraw/zinc/26/70/15/154267015.db2.gz PDGQZZSVSJLHCA-BWTSREIZSA-N 2 1 329.488 1.887 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(C)(C)CN1CCn2ccnc2C1 ZINC000367953010 154341477 /nfs/dbraw/zinc/34/14/77/154341477.db2.gz XRIIVUOIDXLVJU-CVEARBPZSA-N 2 1 347.507 1.524 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000367953010 154341480 /nfs/dbraw/zinc/34/14/80/154341480.db2.gz XRIIVUOIDXLVJU-CVEARBPZSA-N 2 1 347.507 1.524 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000367953010 154341484 /nfs/dbraw/zinc/34/14/84/154341484.db2.gz XRIIVUOIDXLVJU-CVEARBPZSA-N 2 1 347.507 1.524 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000367953010 154341487 /nfs/dbraw/zinc/34/14/87/154341487.db2.gz XRIIVUOIDXLVJU-CVEARBPZSA-N 2 1 347.507 1.524 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000367984090 154355737 /nfs/dbraw/zinc/35/57/37/154355737.db2.gz TWTSMGJLIYCDKI-OIISXLGYSA-N 2 1 347.459 1.294 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000417340893 304392792 /nfs/dbraw/zinc/39/27/92/304392792.db2.gz NHXRNWCSULFGMW-RVKKMQEKSA-N 2 1 330.476 1.730 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC[NH2+]CC1 ZINC000417357389 304394453 /nfs/dbraw/zinc/39/44/53/304394453.db2.gz DEXYJNWYFCJOND-OAHLLOKOSA-N 2 1 336.505 1.965 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000369567594 155091954 /nfs/dbraw/zinc/09/19/54/155091954.db2.gz UBRGRMDUIOFLKB-PMPSAXMXSA-N 2 1 331.464 1.506 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](CC(C)C)CC2)C1 ZINC000369611682 155110472 /nfs/dbraw/zinc/11/04/72/155110472.db2.gz JIVYOLXYWBALPJ-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](CC(C)C)CC2)C1 ZINC000369611682 155110475 /nfs/dbraw/zinc/11/04/75/155110475.db2.gz JIVYOLXYWBALPJ-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP COCCN1CCN(C(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)C[C@@H]1C ZINC000369637995 155118510 /nfs/dbraw/zinc/11/85/10/155118510.db2.gz KNAZAAHWBDCADZ-GJZGRUSLSA-N 2 1 348.491 1.817 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000417448008 304396732 /nfs/dbraw/zinc/39/67/32/304396732.db2.gz SMSPQJQIBWTKJH-BMFZPTHFSA-N 2 1 326.485 1.255 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C3(O)CCCC3)CC2)CC1 ZINC000371824213 156124969 /nfs/dbraw/zinc/12/49/69/156124969.db2.gz JVXNVLABNKFBMF-UHFFFAOYSA-N 2 1 337.508 1.604 20 0 EDADMP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000372065807 156231007 /nfs/dbraw/zinc/23/10/07/156231007.db2.gz IIGDKUDKIRORSB-AYOQOUSVSA-N 2 1 337.508 1.724 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000372305394 156322645 /nfs/dbraw/zinc/32/26/45/156322645.db2.gz PWGPSPBLDOJQKZ-QGZVFWFLSA-N 2 1 340.512 1.328 20 0 EDADMP C[C@@H]1CN(C(=O)C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000372420698 156380740 /nfs/dbraw/zinc/38/07/40/156380740.db2.gz NCRZACSKUUKGLF-JFIYKMOQSA-N 2 1 337.508 1.819 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000369660997 292352193 /nfs/dbraw/zinc/35/21/93/292352193.db2.gz NSUCRONZFTUGFT-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000369660997 292352197 /nfs/dbraw/zinc/35/21/97/292352197.db2.gz NSUCRONZFTUGFT-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000369660997 292352199 /nfs/dbraw/zinc/35/21/99/292352199.db2.gz NSUCRONZFTUGFT-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP COCCCNC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374299360 157232572 /nfs/dbraw/zinc/23/25/72/157232572.db2.gz YBMZYPXBAOXDKB-JKSUJKDBSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCN(c2ncc(CN[C@H]3COc4cccc(F)c43)cn2)CC1 ZINC000374677304 157365019 /nfs/dbraw/zinc/36/50/19/157365019.db2.gz ISDRBBPROIIVRH-HNNXBMFYSA-N 2 1 343.406 1.591 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)O[C@]3(CCO[C@H]3C)C2)CC1 ZINC000376610914 157804655 /nfs/dbraw/zinc/80/46/55/157804655.db2.gz OOHNWSUUXNIYKA-CEXWTWQISA-N 2 1 339.524 1.671 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-n2cncn2)cc1 ZINC000378371602 158155041 /nfs/dbraw/zinc/15/50/41/158155041.db2.gz PMELGPLHBDSILY-QRVBRYPASA-N 2 1 341.459 1.951 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000352148411 162012813 /nfs/dbraw/zinc/01/28/13/162012813.db2.gz LIDLKSBFMICCQT-OALUTQOASA-N 2 1 342.487 1.015 20 0 EDADMP C[NH+](C[C@@H](O)CN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000352365283 162142693 /nfs/dbraw/zinc/14/26/93/162142693.db2.gz PVDLFSSGKKIVFL-IEBWSBKVSA-N 2 1 332.492 1.290 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000352365283 162142696 /nfs/dbraw/zinc/14/26/96/162142696.db2.gz PVDLFSSGKKIVFL-IEBWSBKVSA-N 2 1 332.492 1.290 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352365283 162142699 /nfs/dbraw/zinc/14/26/99/162142699.db2.gz PVDLFSSGKKIVFL-IEBWSBKVSA-N 2 1 332.492 1.290 20 0 EDADMP CCCC[C@@H](C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000352397775 162161484 /nfs/dbraw/zinc/16/14/84/162161484.db2.gz LTUYLFMXEYVTBG-SJORKVTESA-N 2 1 327.513 1.970 20 0 EDADMP CCCC[C@@H](C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000352397775 162161487 /nfs/dbraw/zinc/16/14/87/162161487.db2.gz LTUYLFMXEYVTBG-SJORKVTESA-N 2 1 327.513 1.970 20 0 EDADMP CCCC[C@@H](C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000352397775 162161488 /nfs/dbraw/zinc/16/14/88/162161488.db2.gz LTUYLFMXEYVTBG-SJORKVTESA-N 2 1 327.513 1.970 20 0 EDADMP CC(C)n1ncc2cc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cnc21 ZINC000352540367 162240088 /nfs/dbraw/zinc/24/00/88/162240088.db2.gz KIGJRRPIFAVXQP-KRWDZBQOSA-N 2 1 328.464 1.492 20 0 EDADMP FC(F)COc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352541528 162240715 /nfs/dbraw/zinc/24/07/15/162240715.db2.gz YWFWUIHMBQHLDN-OAHLLOKOSA-N 2 1 325.403 1.810 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnn(C)c2C(F)(F)F)CC1 ZINC000336878616 287085926 /nfs/dbraw/zinc/08/59/26/287085926.db2.gz GZNCJJXAGWBPCH-GFCCVEGCSA-N 2 1 348.413 1.964 20 0 EDADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000074493809 287271183 /nfs/dbraw/zinc/27/11/83/287271183.db2.gz LNRSLFYSKBNRSU-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000074493809 287271187 /nfs/dbraw/zinc/27/11/87/287271187.db2.gz LNRSLFYSKBNRSU-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000074493809 287271190 /nfs/dbraw/zinc/27/11/90/287271190.db2.gz LNRSLFYSKBNRSU-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cn1 ZINC000164805248 226099108 /nfs/dbraw/zinc/09/91/08/226099108.db2.gz RXXUGAGXIFLSSR-WTTBNOFXSA-N 2 1 325.416 1.565 20 0 EDADMP C[C@@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000122086489 222011554 /nfs/dbraw/zinc/01/15/54/222011554.db2.gz VULUVTLVRHSPLI-MTSZKFMLSA-N 2 1 325.497 1.863 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000193469145 272994214 /nfs/dbraw/zinc/99/42/14/272994214.db2.gz DIFZOERLZFVTFN-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000274381063 268132246 /nfs/dbraw/zinc/13/22/46/268132246.db2.gz AVWWUSXSAVXSML-AWEZNQCLSA-N 2 1 327.428 1.913 20 0 EDADMP CC(C)[C@H](CCO)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274584832 268164084 /nfs/dbraw/zinc/16/40/84/268164084.db2.gz GAZGONCUSKCNTG-UHOSZYNNSA-N 2 1 347.503 1.762 20 0 EDADMP COC(=O)CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274792924 268208039 /nfs/dbraw/zinc/20/80/39/268208039.db2.gz CQEXVPJLJMOORG-DOTOQJQBSA-N 2 1 347.459 1.166 20 0 EDADMP COC(=O)CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274792924 268208040 /nfs/dbraw/zinc/20/80/40/268208040.db2.gz CQEXVPJLJMOORG-DOTOQJQBSA-N 2 1 347.459 1.166 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273062203 273026742 /nfs/dbraw/zinc/02/67/42/273026742.db2.gz JEKLJSRRPDOVCJ-IEBWSBKVSA-N 2 1 345.487 1.688 20 0 EDADMP C[C@@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000275445676 268343940 /nfs/dbraw/zinc/34/39/40/268343940.db2.gz KXFQLNOSVCXHAN-AWEZNQCLSA-N 2 1 346.475 1.328 20 0 EDADMP CCC1(O)CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000274556107 273096417 /nfs/dbraw/zinc/09/64/17/273096417.db2.gz BDSNZNWVXUXZCT-QGZVFWFLSA-N 2 1 333.476 1.642 20 0 EDADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1cnc(N3CCOCC3)s1)C2 ZINC000275650662 273115987 /nfs/dbraw/zinc/11/59/87/273115987.db2.gz UIFVCCNILOYQOQ-CYBMUJFWSA-N 2 1 333.461 1.528 20 0 EDADMP O=C1CCC(=O)N1CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278953638 273275752 /nfs/dbraw/zinc/27/57/52/273275752.db2.gz WCTFKBCOZWKVKM-UHFFFAOYSA-N 2 1 330.432 1.548 20 0 EDADMP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279118716 273280941 /nfs/dbraw/zinc/28/09/41/273280941.db2.gz WVGHMOXODWNKEI-GOSISDBHSA-N 2 1 328.460 1.789 20 0 EDADMP C[C@H](CO)[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC1CCC1 ZINC000280630184 273379764 /nfs/dbraw/zinc/37/97/64/273379764.db2.gz XILYUPADAXBJNA-VQIMIIECSA-N 2 1 347.503 1.888 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC[C@H](C)[NH3+] ZINC000417728215 274486493 /nfs/dbraw/zinc/48/64/93/274486493.db2.gz KBYMLRDGROHANO-JKSUJKDBSA-N 2 1 333.480 1.234 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000417408556 276075465 /nfs/dbraw/zinc/07/54/65/276075465.db2.gz UMVCYYROLWHDPH-ZWKOTPCHSA-N 2 1 330.476 1.889 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000178873859 276196659 /nfs/dbraw/zinc/19/66/59/276196659.db2.gz MWLMYWFSKALARB-LJQANCHMSA-N 2 1 344.503 1.582 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(N(C)C)cn1 ZINC000444160546 276378031 /nfs/dbraw/zinc/37/80/31/276378031.db2.gz ZDHHTPMIFGLHAJ-KRWDZBQOSA-N 2 1 347.507 1.636 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]CC2=CCCOC2)cc[nH+]1 ZINC000330025978 276903685 /nfs/dbraw/zinc/90/36/85/276903685.db2.gz KYYBMPLIROFQKD-GJZGRUSLSA-N 2 1 335.427 1.396 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000249816937 277105463 /nfs/dbraw/zinc/10/54/63/277105463.db2.gz CMACAZNHMLGOET-RBUKOAKNSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000249816937 277105464 /nfs/dbraw/zinc/10/54/64/277105464.db2.gz CMACAZNHMLGOET-RBUKOAKNSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000249816937 277105466 /nfs/dbraw/zinc/10/54/66/277105466.db2.gz CMACAZNHMLGOET-RBUKOAKNSA-N 2 1 344.503 1.481 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000286106065 287936735 /nfs/dbraw/zinc/93/67/35/287936735.db2.gz IPTBVPQGCUSVTH-HNNXBMFYSA-N 2 1 334.464 1.321 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)[C@@H]2C1 ZINC000418686944 277140710 /nfs/dbraw/zinc/14/07/10/277140710.db2.gz QDVZYSNAKRMMMI-XMTFNYHQSA-N 2 1 328.460 1.478 20 0 EDADMP COCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000375663872 277197658 /nfs/dbraw/zinc/19/76/58/277197658.db2.gz LDJUZHUYZJXLDW-GOSISDBHSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000237342290 277283323 /nfs/dbraw/zinc/28/33/23/277283323.db2.gz AKHRBZOKPZKXES-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000237342290 277283325 /nfs/dbraw/zinc/28/33/25/277283325.db2.gz AKHRBZOKPZKXES-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH2+][C@@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1cnn(C)c1 ZINC000262585129 277291851 /nfs/dbraw/zinc/29/18/51/277291851.db2.gz VESNWANECCCFBE-JKSUJKDBSA-N 2 1 333.411 1.239 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000079100166 278888323 /nfs/dbraw/zinc/88/83/23/278888323.db2.gz HPJNDYLODNFMOA-QGZVFWFLSA-N 2 1 340.512 1.326 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000158089830 279029761 /nfs/dbraw/zinc/02/97/61/279029761.db2.gz YSPUZFANHZFHCH-HNNXBMFYSA-N 2 1 333.480 1.858 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000496920231 279034093 /nfs/dbraw/zinc/03/40/93/279034093.db2.gz BMURTXDMDUICNK-UONOGXRCSA-N 2 1 329.485 1.677 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496080926 279037697 /nfs/dbraw/zinc/03/76/97/279037697.db2.gz JXPZDMJKOVGVEW-OAGGEKHMSA-N 2 1 341.496 1.488 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496080926 279037698 /nfs/dbraw/zinc/03/76/98/279037698.db2.gz JXPZDMJKOVGVEW-OAGGEKHMSA-N 2 1 341.496 1.488 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496080926 279037700 /nfs/dbraw/zinc/03/77/00/279037700.db2.gz JXPZDMJKOVGVEW-OAGGEKHMSA-N 2 1 341.496 1.488 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496080926 279037701 /nfs/dbraw/zinc/03/77/01/279037701.db2.gz JXPZDMJKOVGVEW-OAGGEKHMSA-N 2 1 341.496 1.488 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000078588031 279144213 /nfs/dbraw/zinc/14/42/13/279144213.db2.gz FMWDZPSZVKQPCH-HOTGVXAUSA-N 2 1 328.501 1.373 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000187360835 279208435 /nfs/dbraw/zinc/20/84/35/279208435.db2.gz GMQDMLQGOBFAIQ-FUHWJXTLSA-N 2 1 348.491 1.263 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000187360835 279208436 /nfs/dbraw/zinc/20/84/36/279208436.db2.gz GMQDMLQGOBFAIQ-FUHWJXTLSA-N 2 1 348.491 1.263 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000187360835 279208437 /nfs/dbraw/zinc/20/84/37/279208437.db2.gz GMQDMLQGOBFAIQ-FUHWJXTLSA-N 2 1 348.491 1.263 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@](CO)(C(C)C)C2)CC1 ZINC000339704500 279259542 /nfs/dbraw/zinc/25/95/42/279259542.db2.gz WUPZQTFDPWOKNT-GOSISDBHSA-N 2 1 325.497 1.317 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000361622348 279266502 /nfs/dbraw/zinc/26/65/02/279266502.db2.gz KKIZVOXGXJAIJF-OAGGEKHMSA-N 2 1 325.522 1.899 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000341994223 279268714 /nfs/dbraw/zinc/26/87/14/279268714.db2.gz LHOXBVBHBBXMPZ-HUUCEWRRSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333387441 288119622 /nfs/dbraw/zinc/11/96/22/288119622.db2.gz OHRUASSEGWOEQU-XTPZXTEVSA-N 2 1 346.519 1.922 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[NH+](C3CCOCC3)CC2)C1 ZINC000361018956 279318582 /nfs/dbraw/zinc/31/85/82/279318582.db2.gz QGTAGNUUXNMADQ-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)C1 ZINC000361018956 279318586 /nfs/dbraw/zinc/31/85/86/279318586.db2.gz QGTAGNUUXNMADQ-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@H+](C3CCOCC3)CC2)C1 ZINC000361018956 279318587 /nfs/dbraw/zinc/31/85/87/279318587.db2.gz QGTAGNUUXNMADQ-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C[C@H](C)O1 ZINC000370595920 288151313 /nfs/dbraw/zinc/15/13/13/288151313.db2.gz AUWASVYPQLOVEN-CALCHBBNSA-N 2 1 349.519 1.963 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C[C@@H](C)O1 ZINC000370296717 288159437 /nfs/dbraw/zinc/15/94/37/288159437.db2.gz DJJQKRPFTSZNKC-BRSBDYLESA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCCO1 ZINC000418123502 288163427 /nfs/dbraw/zinc/16/34/27/288163427.db2.gz ZCSWUGHBULKXAW-OAGGEKHMSA-N 2 1 326.485 1.304 20 0 EDADMP Cc1ccc2c(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc(=O)oc2c1 ZINC000261749932 281045713 /nfs/dbraw/zinc/04/57/13/281045713.db2.gz URDGTBYGOHKCHQ-MRXNPFEDSA-N 2 1 327.428 1.581 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333661623 288308085 /nfs/dbraw/zinc/30/80/85/288308085.db2.gz LPRFVTSUGVLJMV-CPFNUKBASA-N 2 1 349.523 1.081 20 0 EDADMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333661623 288308087 /nfs/dbraw/zinc/30/80/87/288308087.db2.gz LPRFVTSUGVLJMV-CPFNUKBASA-N 2 1 349.523 1.081 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333661623 288308090 /nfs/dbraw/zinc/30/80/90/288308090.db2.gz LPRFVTSUGVLJMV-CPFNUKBASA-N 2 1 349.523 1.081 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000292147776 289273234 /nfs/dbraw/zinc/27/32/34/289273234.db2.gz JVJLPFLQLPKFFY-SJLPKXTDSA-N 2 1 331.460 1.406 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH3+])CCOCC3)C[C@H]2[C@@H]1c1ccccc1 ZINC000375400135 290282571 /nfs/dbraw/zinc/28/25/71/290282571.db2.gz LHHSIADRNIVCNY-KURKYZTESA-N 2 1 343.471 1.503 20 0 EDADMP Cn1cc(N2CCC[C@@H]([N@H+]3CCCC4(CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000367199482 294245746 /nfs/dbraw/zinc/24/57/46/294245746.db2.gz KLYDDRQPPJYDHD-QGZVFWFLSA-N 2 1 345.491 1.723 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)CC[NH+](C)C ZINC000417324022 295411353 /nfs/dbraw/zinc/41/13/53/295411353.db2.gz ZMRDNCBPSLICTL-GDBMZVCRSA-N 2 1 334.464 1.691 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C[N@H+]1C1CC1 ZINC000249128265 297274151 /nfs/dbraw/zinc/27/41/51/297274151.db2.gz RKOGLKVAEGZFGK-RBSFLKMASA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C[NH+]1C1CC1 ZINC000249128265 297274154 /nfs/dbraw/zinc/27/41/54/297274154.db2.gz RKOGLKVAEGZFGK-RBSFLKMASA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C[NH+]1C1CC1 ZINC000249128265 297274155 /nfs/dbraw/zinc/27/41/55/297274155.db2.gz RKOGLKVAEGZFGK-RBSFLKMASA-N 2 1 338.496 1.098 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000072997260 302716043 /nfs/dbraw/zinc/71/60/43/302716043.db2.gz AGIZXIBBSKADAV-MRXNPFEDSA-N 2 1 348.491 1.979 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@H](C)[N@@H+]1C ZINC000293867038 303031065 /nfs/dbraw/zinc/03/10/65/303031065.db2.gz BPAQSEWDPKBIDF-CALCHBBNSA-N 2 1 345.491 1.145 20 0 EDADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)CC[C@@H]21 ZINC000294963674 303157585 /nfs/dbraw/zinc/15/75/85/303157585.db2.gz NITIOAAWWPWYTF-PBHICJAKSA-N 2 1 325.416 1.824 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)CC[C@@H]21 ZINC000294963674 303157587 /nfs/dbraw/zinc/15/75/87/303157587.db2.gz NITIOAAWWPWYTF-PBHICJAKSA-N 2 1 325.416 1.824 20 0 EDADMP COCCOC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000296031162 303290564 /nfs/dbraw/zinc/29/05/64/303290564.db2.gz PCVZDJPJJZKEEO-OTWHNJEPSA-N 2 1 334.460 1.074 20 0 EDADMP COCCOC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000296031162 303290566 /nfs/dbraw/zinc/29/05/66/303290566.db2.gz PCVZDJPJJZKEEO-OTWHNJEPSA-N 2 1 334.460 1.074 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000296335661 303310493 /nfs/dbraw/zinc/31/04/93/303310493.db2.gz IBLPGNADIVWBAZ-LPHOPBHVSA-N 2 1 344.503 1.622 20 0 EDADMP CCn1ccnc1CNC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000297153841 303366604 /nfs/dbraw/zinc/36/66/04/303366604.db2.gz JFYVJDLLEYVYSB-UHFFFAOYSA-N 2 1 341.459 1.580 20 0 EDADMP Cc1ccc(CCN2CC[N@@H+](C[C@H]3CN(C)CCO3)C[C@H]2C)cc1 ZINC000377764619 447343987 /nfs/dbraw/zinc/34/39/87/447343987.db2.gz VEFOYJRLNHUTLX-UYAOXDASSA-N 2 1 331.504 1.874 20 0 EDADMP Cc1ccc(CCN2CC[N@H+](C[C@H]3CN(C)CCO3)C[C@H]2C)cc1 ZINC000377764619 447343993 /nfs/dbraw/zinc/34/39/93/447343993.db2.gz VEFOYJRLNHUTLX-UYAOXDASSA-N 2 1 331.504 1.874 20 0 EDADMP O=C1NCCc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)cc21 ZINC000423034512 304883742 /nfs/dbraw/zinc/88/37/42/304883742.db2.gz HXGSWGISQACLQI-JQHSSLGASA-N 2 1 329.444 1.219 20 0 EDADMP CC(C)[C@@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H](C)[NH3+] ZINC000423338110 304893154 /nfs/dbraw/zinc/89/31/54/304893154.db2.gz ASQQHKXEOKKNPL-RHSMWYFYSA-N 2 1 346.475 1.632 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000424001914 304924345 /nfs/dbraw/zinc/92/43/45/304924345.db2.gz NTLZRNVTJXPGIL-DLBZAZTESA-N 2 1 342.447 1.203 20 0 EDADMP COc1ccc(COC[C@@H](O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429541882 305031651 /nfs/dbraw/zinc/03/16/51/305031651.db2.gz PPOZUTRLJGEUDS-MSOLQXFVSA-N 2 1 336.476 1.989 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000430610976 305058831 /nfs/dbraw/zinc/05/88/31/305058831.db2.gz MXBVHLDRGBVKDP-LBPRGKRZSA-N 2 1 327.831 1.809 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)cc1F ZINC000430618478 305059337 /nfs/dbraw/zinc/05/93/37/305059337.db2.gz UPVSFAIHIFSTCC-UKRRQHHQSA-N 2 1 337.439 1.852 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)cc1F ZINC000430618478 305059338 /nfs/dbraw/zinc/05/93/38/305059338.db2.gz UPVSFAIHIFSTCC-UKRRQHHQSA-N 2 1 337.439 1.852 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000430719564 305063152 /nfs/dbraw/zinc/06/31/52/305063152.db2.gz FSVSHQNGTFPAJA-SFHVURJKSA-N 2 1 345.487 1.707 20 0 EDADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC1 ZINC000430919469 305068158 /nfs/dbraw/zinc/06/81/58/305068158.db2.gz QOCKOSXHWVIGDQ-CYBMUJFWSA-N 2 1 344.459 1.810 20 0 EDADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000430921254 305068164 /nfs/dbraw/zinc/06/81/64/305068164.db2.gz SDPXSPATECNVFU-YGRLFVJLSA-N 2 1 338.839 1.437 20 0 EDADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC[C@H]1[NH3+] ZINC000430921252 305068202 /nfs/dbraw/zinc/06/82/02/305068202.db2.gz SDPXSPATECNVFU-IINYFYTJSA-N 2 1 338.839 1.437 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)C1=O ZINC000431158955 305076227 /nfs/dbraw/zinc/07/62/27/305076227.db2.gz FAYPWMABODDFIS-IAGOWNOFSA-N 2 1 329.444 1.555 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000433341308 305106200 /nfs/dbraw/zinc/10/62/00/305106200.db2.gz RVBBOKMBUPVZJE-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000433341308 305106201 /nfs/dbraw/zinc/10/62/01/305106201.db2.gz RVBBOKMBUPVZJE-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000433341308 305106202 /nfs/dbraw/zinc/10/62/02/305106202.db2.gz RVBBOKMBUPVZJE-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433412019 305108433 /nfs/dbraw/zinc/10/84/33/305108433.db2.gz POKZXSIUERKULO-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433412019 305108434 /nfs/dbraw/zinc/10/84/34/305108434.db2.gz POKZXSIUERKULO-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433412019 305108435 /nfs/dbraw/zinc/10/84/35/305108435.db2.gz POKZXSIUERKULO-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433454027 305109527 /nfs/dbraw/zinc/10/95/27/305109527.db2.gz MNDXHLHVUJVLFG-QGZVFWFLSA-N 2 1 342.528 1.717 20 0 EDADMP C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C ZINC000433871481 305114190 /nfs/dbraw/zinc/11/41/90/305114190.db2.gz WVLWWZNDLOBUBG-GDBMZVCRSA-N 2 1 339.505 1.851 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434522043 305124041 /nfs/dbraw/zinc/12/40/41/305124041.db2.gz FHXSBHWHIMQMJN-QZTJIDSGSA-N 2 1 337.508 1.913 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N(C3CC3)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000435238045 305137690 /nfs/dbraw/zinc/13/76/90/305137690.db2.gz PIMMSOXQILMRQS-IBGZPJMESA-N 2 1 342.487 1.401 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000435374487 305139237 /nfs/dbraw/zinc/13/92/37/305139237.db2.gz JCAIAJRAXLKQGD-DOTOQJQBSA-N 2 1 331.460 1.857 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000435374487 305139238 /nfs/dbraw/zinc/13/92/38/305139238.db2.gz JCAIAJRAXLKQGD-DOTOQJQBSA-N 2 1 331.460 1.857 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000435376142 305139410 /nfs/dbraw/zinc/13/94/10/305139410.db2.gz PTBOXMITYFRCJE-UKRRQHHQSA-N 2 1 335.448 1.379 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OCC(=O)NCC3CC3)C[C@@H]12 ZINC000435387239 305139503 /nfs/dbraw/zinc/13/95/03/305139503.db2.gz YPKAEEZDFUGMFO-CGTJXYLNSA-N 2 1 343.471 1.761 20 0 EDADMP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000435388034 305139650 /nfs/dbraw/zinc/13/96/50/305139650.db2.gz DLUIHSVUJPIMDZ-HOCLYGCPSA-N 2 1 349.475 1.721 20 0 EDADMP CCOc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000435388034 305139651 /nfs/dbraw/zinc/13/96/51/305139651.db2.gz DLUIHSVUJPIMDZ-HOCLYGCPSA-N 2 1 349.475 1.721 20 0 EDADMP CC[N@H+](CC(=O)NCc1ccc(COC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435622394 305143706 /nfs/dbraw/zinc/14/37/06/305143706.db2.gz CXDYVGBSUAFOSL-GOSISDBHSA-N 2 1 333.476 1.913 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccc(COC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435622394 305143707 /nfs/dbraw/zinc/14/37/07/305143707.db2.gz CXDYVGBSUAFOSL-GOSISDBHSA-N 2 1 333.476 1.913 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[NH2+][C@@H](C)[C@H]2C)CC1 ZINC000436063054 305151907 /nfs/dbraw/zinc/15/19/07/305151907.db2.gz SSSOYYCHAZJIRN-ZWKOTPCHSA-N 2 1 344.503 1.321 20 0 EDADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(CC(=O)OCC)c2C)C1 ZINC000438220552 305183454 /nfs/dbraw/zinc/18/34/54/305183454.db2.gz SSULIWQKONISAE-MRXNPFEDSA-N 2 1 336.480 1.885 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(CC(=O)OCC)c2C)C1 ZINC000438220552 305183455 /nfs/dbraw/zinc/18/34/55/305183455.db2.gz SSULIWQKONISAE-MRXNPFEDSA-N 2 1 336.480 1.885 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449357455 305312513 /nfs/dbraw/zinc/31/25/13/305312513.db2.gz AOIDMKQFLZZXCF-MSOLQXFVSA-N 2 1 327.432 1.481 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000452345369 305390406 /nfs/dbraw/zinc/39/04/06/305390406.db2.gz QTTAWVPPMVBWNA-DLBZAZTESA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000452345369 305390407 /nfs/dbraw/zinc/39/04/07/305390407.db2.gz QTTAWVPPMVBWNA-DLBZAZTESA-N 2 1 325.497 1.722 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)C(C)(C)C ZINC000458409970 447351288 /nfs/dbraw/zinc/35/12/88/447351288.db2.gz MSQZULGUQAXDCB-HOTGVXAUSA-N 2 1 342.528 1.499 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)/C=C/c2ncc[nH]2)CCCN1C ZINC000493612117 447354562 /nfs/dbraw/zinc/35/45/62/447354562.db2.gz ITGMQUOEWWKKOY-KUBVHJBSSA-N 2 1 328.420 1.356 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000521236278 305787160 /nfs/dbraw/zinc/78/71/60/305787160.db2.gz DYJVEJNQJQCPQK-JKSUJKDBSA-N 2 1 326.485 1.175 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000528839831 305890866 /nfs/dbraw/zinc/89/08/66/305890866.db2.gz KJDSUZCBYQDLNV-UHFFFAOYSA-N 2 1 342.447 1.756 20 0 EDADMP Cc1cc(=O)[nH]cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000532092937 305973664 /nfs/dbraw/zinc/97/36/64/305973664.db2.gz RGJIPIBUZLZAMW-UHFFFAOYSA-N 2 1 327.388 1.495 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H]1C ZINC000536553805 306022206 /nfs/dbraw/zinc/02/22/06/306022206.db2.gz JXFYSBFIQQZAOM-IAGOWNOFSA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCC[NH+](C)C)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000538315206 306030628 /nfs/dbraw/zinc/03/06/28/306030628.db2.gz DXWVOQBZWFMJDI-SFHVURJKSA-N 2 1 333.476 1.688 20 0 EDADMP CN(CCC[NH+](C)C)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000538315206 306030629 /nfs/dbraw/zinc/03/06/29/306030629.db2.gz DXWVOQBZWFMJDI-SFHVURJKSA-N 2 1 333.476 1.688 20 0 EDADMP CN(CCC(=O)NCCCCN1CC[NH+](C)CC1)c1cc[nH+]cc1 ZINC000540923503 306041645 /nfs/dbraw/zinc/04/16/45/306041645.db2.gz ANZARQZXOCXRAK-UHFFFAOYSA-N 2 1 333.480 1.052 20 0 EDADMP CO[C@H]1CCCC[C@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000549559335 306146747 /nfs/dbraw/zinc/14/67/47/306146747.db2.gz HAYTYEJURCWORA-PBHICJAKSA-N 2 1 332.448 1.977 20 0 EDADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000552297948 306178695 /nfs/dbraw/zinc/17/86/95/306178695.db2.gz MBRPMYMZLFNZMJ-FVCCEPFGSA-N 2 1 339.509 1.993 20 0 EDADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000552297948 306178696 /nfs/dbraw/zinc/17/86/96/306178696.db2.gz MBRPMYMZLFNZMJ-FVCCEPFGSA-N 2 1 339.509 1.993 20 0 EDADMP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000556966592 306222078 /nfs/dbraw/zinc/22/20/78/306222078.db2.gz RELXSOYOQNOZHG-SFFUCWETSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000556966592 306222079 /nfs/dbraw/zinc/22/20/79/306222079.db2.gz RELXSOYOQNOZHG-SFFUCWETSA-N 2 1 337.508 1.815 20 0 EDADMP CO[C@H]1C[C@H]([N@@H+](C)Cc2cnc(N3CCN(C)CC3)nc2)C12CCC2 ZINC000449634919 447380632 /nfs/dbraw/zinc/38/06/32/447380632.db2.gz SKUBZGYCYYQMHJ-IRXDYDNUSA-N 2 1 345.491 1.618 20 0 EDADMP CO[C@H]1C[C@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C12CCC2 ZINC000449634919 447380641 /nfs/dbraw/zinc/38/06/41/447380641.db2.gz SKUBZGYCYYQMHJ-IRXDYDNUSA-N 2 1 345.491 1.618 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000426026971 447380966 /nfs/dbraw/zinc/38/09/66/447380966.db2.gz DYIFIPKBMGKXNH-HIFRSBDPSA-N 2 1 331.526 1.509 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000426026971 447380972 /nfs/dbraw/zinc/38/09/72/447380972.db2.gz DYIFIPKBMGKXNH-HIFRSBDPSA-N 2 1 331.526 1.509 20 0 EDADMP COCCOCC[NH+]1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000660925087 453649034 /nfs/dbraw/zinc/64/90/34/453649034.db2.gz ZTANJYGWYASVCR-ROUUACIJSA-N 2 1 327.513 1.245 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000458538504 447404461 /nfs/dbraw/zinc/40/44/61/447404461.db2.gz AABBWWFAQTTWOA-XGXHKWSGSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000458538504 447404466 /nfs/dbraw/zinc/40/44/66/447404466.db2.gz AABBWWFAQTTWOA-XGXHKWSGSA-N 2 1 342.487 1.995 20 0 EDADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000378204047 447407427 /nfs/dbraw/zinc/40/74/27/447407427.db2.gz SAOWVQAYLJCTHD-KGLIPLIRSA-N 2 1 335.452 1.705 20 0 EDADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000378204047 447407434 /nfs/dbraw/zinc/40/74/34/447407434.db2.gz SAOWVQAYLJCTHD-KGLIPLIRSA-N 2 1 335.452 1.705 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000661234054 453768132 /nfs/dbraw/zinc/76/81/32/453768132.db2.gz DWTALAJFTZUJPR-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000378264569 447410917 /nfs/dbraw/zinc/41/09/17/447410917.db2.gz RUIUXQXZFANPDP-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000378264569 447410924 /nfs/dbraw/zinc/41/09/24/447410924.db2.gz RUIUXQXZFANPDP-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000378264569 447410927 /nfs/dbraw/zinc/41/09/27/447410927.db2.gz RUIUXQXZFANPDP-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000378264569 447410935 /nfs/dbraw/zinc/41/09/35/447410935.db2.gz RUIUXQXZFANPDP-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000422245690 447420726 /nfs/dbraw/zinc/42/07/26/447420726.db2.gz PSOLHDHFOMOZTJ-FHERZECASA-N 2 1 340.512 1.346 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000426390200 447433111 /nfs/dbraw/zinc/43/31/11/447433111.db2.gz IFDMCTCORLGCCM-ZWKOTPCHSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426390200 447433118 /nfs/dbraw/zinc/43/31/18/447433118.db2.gz IFDMCTCORLGCCM-ZWKOTPCHSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426390200 447433125 /nfs/dbraw/zinc/43/31/25/447433125.db2.gz IFDMCTCORLGCCM-ZWKOTPCHSA-N 2 1 334.508 1.242 20 0 EDADMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000044513436 440851845 /nfs/dbraw/zinc/85/18/45/440851845.db2.gz JLRMTQCCQGUDPK-UHFFFAOYSA-N 2 1 327.226 1.453 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)[NH+](C)C ZINC000105082173 441230871 /nfs/dbraw/zinc/23/08/71/441230871.db2.gz IAZFXUHGCBNQBV-QGZVFWFLSA-N 2 1 348.491 1.939 20 0 EDADMP CC1CC[NH+](CCCNC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000072486382 441233276 /nfs/dbraw/zinc/23/32/76/441233276.db2.gz OYFZBPHDIQQWAW-UHFFFAOYSA-N 2 1 326.485 1.130 20 0 EDADMP Cc1ncc(CNC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)s1 ZINC000105187431 441240856 /nfs/dbraw/zinc/24/08/56/441240856.db2.gz HBHBRWIKJBEOOL-UHFFFAOYSA-N 2 1 339.509 1.619 20 0 EDADMP CC(C)[N@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000104882664 441218773 /nfs/dbraw/zinc/21/87/73/441218773.db2.gz XQSFFUFIRNVEEG-SFHVURJKSA-N 2 1 333.476 1.641 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000104882664 441218777 /nfs/dbraw/zinc/21/87/77/441218777.db2.gz XQSFFUFIRNVEEG-SFHVURJKSA-N 2 1 333.476 1.641 20 0 EDADMP O=C(NCCC[NH2+]C1CCCCC1)NCCC[NH+]1CCOCC1 ZINC000059261221 441226967 /nfs/dbraw/zinc/22/69/67/441226967.db2.gz UXQUFLFVMUMVOY-UHFFFAOYSA-N 2 1 326.485 1.320 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000081248175 441244007 /nfs/dbraw/zinc/24/40/07/441244007.db2.gz APVJBHHXPWAYME-OALUTQOASA-N 2 1 345.487 1.516 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000081248175 441244012 /nfs/dbraw/zinc/24/40/12/441244012.db2.gz APVJBHHXPWAYME-OALUTQOASA-N 2 1 345.487 1.516 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000081248175 441244016 /nfs/dbraw/zinc/24/40/16/441244016.db2.gz APVJBHHXPWAYME-OALUTQOASA-N 2 1 345.487 1.516 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000081248175 441244021 /nfs/dbraw/zinc/24/40/21/441244021.db2.gz APVJBHHXPWAYME-OALUTQOASA-N 2 1 345.487 1.516 20 0 EDADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ncccn2)CC1 ZINC000072694649 441251174 /nfs/dbraw/zinc/25/11/74/441251174.db2.gz WQIFLACOECJRFV-OAHLLOKOSA-N 2 1 349.479 1.626 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000073728680 441347082 /nfs/dbraw/zinc/34/70/82/441347082.db2.gz USWHFAMEKRYZMF-INIZCTEOSA-N 2 1 337.489 1.549 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000073728680 441347088 /nfs/dbraw/zinc/34/70/88/441347088.db2.gz USWHFAMEKRYZMF-INIZCTEOSA-N 2 1 337.489 1.549 20 0 EDADMP CC(C)(C)C[N@@H+](CCCO)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000106934646 441392232 /nfs/dbraw/zinc/39/22/32/441392232.db2.gz CCHOLANYPPKMJW-UHFFFAOYSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000107388540 441414775 /nfs/dbraw/zinc/41/47/75/441414775.db2.gz RBYGZVRTXJGYGW-KRWDZBQOSA-N 2 1 347.507 1.887 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000074371416 441428423 /nfs/dbraw/zinc/42/84/23/441428423.db2.gz VOULGNWBELHNDQ-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000074655347 441453075 /nfs/dbraw/zinc/45/30/75/441453075.db2.gz HNRMTJRYNKBQNL-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108567667 441465236 /nfs/dbraw/zinc/46/52/36/441465236.db2.gz YUUILNDQDCJYFZ-INIZCTEOSA-N 2 1 348.491 1.768 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC000112916946 441567308 /nfs/dbraw/zinc/56/73/08/441567308.db2.gz DBIOMDAWLDHHKK-IEBWSBKVSA-N 2 1 346.519 1.822 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000076432671 441646674 /nfs/dbraw/zinc/64/66/74/441646674.db2.gz RPQNIJLSSPNFEK-IBGZPJMESA-N 2 1 345.487 1.532 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](O)C2)CC1 ZINC000076432671 441646676 /nfs/dbraw/zinc/64/66/76/441646676.db2.gz RPQNIJLSSPNFEK-IBGZPJMESA-N 2 1 345.487 1.532 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)c2C1 ZINC000067558587 441652113 /nfs/dbraw/zinc/65/21/13/441652113.db2.gz CRMWJXAPSMUBDA-CQSZACIVSA-N 2 1 346.475 1.807 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)c2C1 ZINC000067558587 441652117 /nfs/dbraw/zinc/65/21/17/441652117.db2.gz CRMWJXAPSMUBDA-CQSZACIVSA-N 2 1 346.475 1.807 20 0 EDADMP COC(=O)CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000114476082 441662349 /nfs/dbraw/zinc/66/23/49/441662349.db2.gz DZMGFKKEULPACL-UHFFFAOYSA-N 2 1 327.469 1.249 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000173398770 441733664 /nfs/dbraw/zinc/73/36/64/441733664.db2.gz VVZNPKLVCKGFTQ-GDBMZVCRSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000136973235 441736650 /nfs/dbraw/zinc/73/66/50/441736650.db2.gz VIQPPEGQLJFUOC-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000136973235 441736653 /nfs/dbraw/zinc/73/66/53/441736653.db2.gz VIQPPEGQLJFUOC-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000136973235 441736658 /nfs/dbraw/zinc/73/66/58/441736658.db2.gz VIQPPEGQLJFUOC-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000121704017 441761534 /nfs/dbraw/zinc/76/15/34/441761534.db2.gz BRXMUWDHPNJJES-QAETUUGQSA-N 2 1 335.492 1.511 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000137326589 441763494 /nfs/dbraw/zinc/76/34/94/441763494.db2.gz ZEJKEPDJMNPLPD-HNNXBMFYSA-N 2 1 334.464 1.436 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)c1csc(CC[NH3+])n1 ZINC000173663892 441820084 /nfs/dbraw/zinc/82/00/84/441820084.db2.gz OZNZQNKFQPQAGA-UHFFFAOYSA-N 2 1 328.401 1.786 20 0 EDADMP CC[N@H+](CCNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)C1CC1 ZINC000138443127 441790929 /nfs/dbraw/zinc/79/09/29/441790929.db2.gz PRIBOJQXUMGXJF-UHFFFAOYSA-N 2 1 331.464 1.706 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)C1CC1 ZINC000138443127 441790936 /nfs/dbraw/zinc/79/09/36/441790936.db2.gz PRIBOJQXUMGXJF-UHFFFAOYSA-N 2 1 331.464 1.706 20 0 EDADMP C[NH+]1CCC(CCNC(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000077592911 441810767 /nfs/dbraw/zinc/81/07/67/441810767.db2.gz VWRIVWPLNCEOTM-UHFFFAOYSA-N 2 1 339.528 1.045 20 0 EDADMP CC[N@H+](Cc1nc(N)nc(N)n1)CC1CCN(c2ccccn2)CC1 ZINC000173971365 441872155 /nfs/dbraw/zinc/87/21/55/441872155.db2.gz KMEQWPYTOBCUJI-UHFFFAOYSA-N 2 1 342.451 1.170 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)no1 ZINC000174451283 441925164 /nfs/dbraw/zinc/92/51/64/441925164.db2.gz HKTBJPQDNSSFFG-OAHLLOKOSA-N 2 1 337.468 1.541 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000174840503 441974169 /nfs/dbraw/zinc/97/41/69/441974169.db2.gz BCFBVPRGXQDMMW-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000120685805 442117283 /nfs/dbraw/zinc/11/72/83/442117283.db2.gz LXAARXQEDDTCMV-IBGZPJMESA-N 2 1 345.487 1.880 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000120685805 442117287 /nfs/dbraw/zinc/11/72/87/442117287.db2.gz LXAARXQEDDTCMV-IBGZPJMESA-N 2 1 345.487 1.880 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000162769685 442120415 /nfs/dbraw/zinc/12/04/15/442120415.db2.gz DRPZHOOQCMDYAD-UHFFFAOYSA-N 2 1 346.475 1.617 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000162769685 442120417 /nfs/dbraw/zinc/12/04/17/442120417.db2.gz DRPZHOOQCMDYAD-UHFFFAOYSA-N 2 1 346.475 1.617 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000175796509 442124452 /nfs/dbraw/zinc/12/44/52/442124452.db2.gz QLWWGDWMOZXGIC-CALCHBBNSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000120738888 442125138 /nfs/dbraw/zinc/12/51/38/442125138.db2.gz CYYMDDZDDQLOCS-UHFFFAOYSA-N 2 1 334.464 1.270 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000120738888 442125142 /nfs/dbraw/zinc/12/51/42/442125142.db2.gz CYYMDDZDDQLOCS-UHFFFAOYSA-N 2 1 334.464 1.270 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000151824885 442125684 /nfs/dbraw/zinc/12/56/84/442125684.db2.gz FTDCOCFEMKEZEP-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000120636513 442108814 /nfs/dbraw/zinc/10/88/14/442108814.db2.gz DXWVWKKAYGARMN-RHSMWYFYSA-N 2 1 346.475 1.628 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000167251818 442219655 /nfs/dbraw/zinc/21/96/55/442219655.db2.gz MRWRLUPJSKWVJS-MSOLQXFVSA-N 2 1 333.476 1.954 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)oc1C ZINC000168625326 442224519 /nfs/dbraw/zinc/22/45/19/442224519.db2.gz HCYHAEIGLIXDFK-HOTGVXAUSA-N 2 1 334.464 1.747 20 0 EDADMP CC[NH+](CC)CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000127901616 442232790 /nfs/dbraw/zinc/23/27/90/442232790.db2.gz LCATUCGKUJGFGO-GJZGRUSLSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128509509 442270937 /nfs/dbraw/zinc/27/09/37/442270937.db2.gz BYPAFWFHBCAQBQ-SFHVURJKSA-N 2 1 338.540 1.785 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000171174584 442322860 /nfs/dbraw/zinc/32/28/60/442322860.db2.gz KRQJCIGPNHGGLZ-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000171195101 442325439 /nfs/dbraw/zinc/32/54/39/442325439.db2.gz DQJYWXLVUMCVOX-AWEZNQCLSA-N 2 1 337.468 1.238 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000171195891 442325650 /nfs/dbraw/zinc/32/56/50/442325650.db2.gz GBXJKWMIQUJUBC-KRWDZBQOSA-N 2 1 342.528 1.620 20 0 EDADMP COCC[NH+]1CCC([NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000154888948 442363179 /nfs/dbraw/zinc/36/31/79/442363179.db2.gz MOWWBJQQOFFPOA-UHFFFAOYSA-N 2 1 332.492 1.746 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000155830681 442430614 /nfs/dbraw/zinc/43/06/14/442430614.db2.gz DPROBOSUCZAJSJ-BRWVUGGUSA-N 2 1 340.512 1.467 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000133986183 442443931 /nfs/dbraw/zinc/44/39/31/442443931.db2.gz DVMDGSIOBPQXFC-SJORKVTESA-N 2 1 333.501 1.987 20 0 EDADMP CN(c1ccccc1C[N@H+]1CC[C@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000157158755 442556008 /nfs/dbraw/zinc/55/60/08/442556008.db2.gz ORGJKSCDPMRVLI-INIZCTEOSA-N 2 1 330.476 1.524 20 0 EDADMP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CSC[NH2+]1 ZINC000178875796 442510955 /nfs/dbraw/zinc/51/09/55/442510955.db2.gz CLSJZADHLAOMHL-QGZVFWFLSA-N 2 1 348.516 1.368 20 0 EDADMP O=C(C[C@@H]1CCC[NH2+]1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000178875871 442511171 /nfs/dbraw/zinc/51/11/71/442511171.db2.gz BQJBCIVFUFSOHX-INIZCTEOSA-N 2 1 334.439 1.206 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000178889117 442515250 /nfs/dbraw/zinc/51/52/50/442515250.db2.gz VFQNJMDEKMOWKD-BPUTZDHNSA-N 2 1 336.505 1.489 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000157391872 442578872 /nfs/dbraw/zinc/57/88/72/442578872.db2.gz DOYBWGJJJDKVQA-IYBDPMFKSA-N 2 1 328.501 1.467 20 0 EDADMP CCC(CC)[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000186738472 442603711 /nfs/dbraw/zinc/60/37/11/442603711.db2.gz FIQNXWQYMVXJNH-KRWDZBQOSA-N 2 1 325.497 1.676 20 0 EDADMP CCC(CC)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000186738472 442603715 /nfs/dbraw/zinc/60/37/15/442603715.db2.gz FIQNXWQYMVXJNH-KRWDZBQOSA-N 2 1 325.497 1.676 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC000187023065 442646007 /nfs/dbraw/zinc/64/60/07/442646007.db2.gz BHRBUUXOLLRNQN-WBVHZDCISA-N 2 1 325.497 1.629 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC000187023065 442646009 /nfs/dbraw/zinc/64/60/09/442646009.db2.gz BHRBUUXOLLRNQN-WBVHZDCISA-N 2 1 325.497 1.629 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)CC1 ZINC000135558416 442611363 /nfs/dbraw/zinc/61/13/63/442611363.db2.gz OPGYFYDBIFUHRO-JKSUJKDBSA-N 2 1 341.521 1.182 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCS[C@@H]3COCC[C@@H]32)CC1 ZINC000135558416 442611367 /nfs/dbraw/zinc/61/13/67/442611367.db2.gz OPGYFYDBIFUHRO-JKSUJKDBSA-N 2 1 341.521 1.182 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000135554393 442611575 /nfs/dbraw/zinc/61/15/75/442611575.db2.gz MIPYXMQIHLUYCJ-MSOLQXFVSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000135554393 442611578 /nfs/dbraw/zinc/61/15/78/442611578.db2.gz MIPYXMQIHLUYCJ-MSOLQXFVSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000135554393 442611582 /nfs/dbraw/zinc/61/15/82/442611582.db2.gz MIPYXMQIHLUYCJ-MSOLQXFVSA-N 2 1 331.460 1.354 20 0 EDADMP COC(=O)[C@H]1CCCN(CCC[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000157800251 442615229 /nfs/dbraw/zinc/61/52/29/442615229.db2.gz RHDNMPFXAPULKC-GJZGRUSLSA-N 2 1 326.437 1.147 20 0 EDADMP COC(=O)[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000157800251 442615233 /nfs/dbraw/zinc/61/52/33/442615233.db2.gz RHDNMPFXAPULKC-GJZGRUSLSA-N 2 1 326.437 1.147 20 0 EDADMP COC(=O)[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000157800251 442615237 /nfs/dbraw/zinc/61/52/37/442615237.db2.gz RHDNMPFXAPULKC-GJZGRUSLSA-N 2 1 326.437 1.147 20 0 EDADMP OCC[NH+]1CCC(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000187975595 442701462 /nfs/dbraw/zinc/70/14/62/442701462.db2.gz GPPXOKVOKAXSCW-QGZVFWFLSA-N 2 1 332.423 1.932 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000180983462 442673021 /nfs/dbraw/zinc/67/30/21/442673021.db2.gz IJPBKPCBXVPMQL-WMZOPIPTSA-N 2 1 325.497 1.772 20 0 EDADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1C[NH2+]CCO1 ZINC000188204660 442723976 /nfs/dbraw/zinc/72/39/76/442723976.db2.gz VJJWCIQLJODOGP-HQSKLWIPSA-N 2 1 329.444 1.287 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)CC2)cs1 ZINC000193479190 442747074 /nfs/dbraw/zinc/74/70/74/442747074.db2.gz KKKZDOMBABLVKM-MLGOLLRUSA-N 2 1 336.505 1.920 20 0 EDADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000181686955 442709813 /nfs/dbraw/zinc/70/98/13/442709813.db2.gz GPFSBXGHCADRED-HZPDHXFCSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000188653855 442780656 /nfs/dbraw/zinc/78/06/56/442780656.db2.gz ULRGZARHIVXSRN-FPCVCCKLSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000188653855 442780660 /nfs/dbraw/zinc/78/06/60/442780660.db2.gz ULRGZARHIVXSRN-FPCVCCKLSA-N 2 1 325.497 1.551 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000267904449 442783507 /nfs/dbraw/zinc/78/35/07/442783507.db2.gz ZSKYXSZAGRPGKK-GOSISDBHSA-N 2 1 349.450 1.879 20 0 EDADMP C[C@@H](NC(=O)N(C)CCC[NH+]1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000183256098 442912431 /nfs/dbraw/zinc/91/24/31/442912431.db2.gz COQKEJHRIVKXAR-MRXNPFEDSA-N 2 1 341.544 1.242 20 0 EDADMP C[C@@H]1C[C@@H](O)C[C@H](C)[NH+]1CCOCC[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248748978 442924525 /nfs/dbraw/zinc/92/45/25/442924525.db2.gz GBDOCMFXDRYICI-TYTBLDAYSA-N 2 1 328.497 1.470 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)C1(C)C ZINC000249052309 442947054 /nfs/dbraw/zinc/94/70/54/442947054.db2.gz BLLQQYKJQCTATL-AFIMGQEJSA-N 2 1 325.497 1.756 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH+](C)C ZINC000268396265 442974614 /nfs/dbraw/zinc/97/46/14/442974614.db2.gz QXXVHMJYROGXEC-BPQIPLTHSA-N 2 1 330.476 1.852 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)nn1C ZINC000195118920 442983913 /nfs/dbraw/zinc/98/39/13/442983913.db2.gz COAORVXJSGNRRZ-OAHLLOKOSA-N 2 1 336.484 1.608 20 0 EDADMP CCC(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000195125185 442985006 /nfs/dbraw/zinc/98/50/06/442985006.db2.gz OKMNGYBWBZRMLU-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000249103049 442951499 /nfs/dbraw/zinc/95/14/99/442951499.db2.gz KLLSWFUAUYMFAT-LSDHHAIUSA-N 2 1 328.501 1.203 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@](C)(O)c3cccs3)cn2)CC1 ZINC000268536949 443025405 /nfs/dbraw/zinc/02/54/05/443025405.db2.gz JSZAIIUVPWGUFX-KRWDZBQOSA-N 2 1 347.488 1.287 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCNS(C)(=O)=O ZINC000189959944 443038409 /nfs/dbraw/zinc/03/84/09/443038409.db2.gz CUBQEDHSPLIEGR-FKEKPDDDSA-N 2 1 339.505 1.282 20 0 EDADMP CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268905275 443142548 /nfs/dbraw/zinc/14/25/48/443142548.db2.gz LQAGSZIPAIWLDM-IIDMSEBBSA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000236667190 443142793 /nfs/dbraw/zinc/14/27/93/443142793.db2.gz VMUKIEYRRNIAQH-ULQDDVLXSA-N 2 1 325.497 1.757 20 0 EDADMP CC(=O)c1cccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000268780622 443105986 /nfs/dbraw/zinc/10/59/86/443105986.db2.gz CDCHPKYKINCBMT-UHFFFAOYSA-N 2 1 331.460 1.987 20 0 EDADMP CC(=O)c1cccc(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000268780622 443105989 /nfs/dbraw/zinc/10/59/89/443105989.db2.gz CDCHPKYKINCBMT-UHFFFAOYSA-N 2 1 331.460 1.987 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000268801638 443112898 /nfs/dbraw/zinc/11/28/98/443112898.db2.gz JLYWPIYPBVOCKQ-QUCCMNQESA-N 4 1 345.535 1.914 20 0 EDADMP CCN1CC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000268801638 443112900 /nfs/dbraw/zinc/11/29/00/443112900.db2.gz JLYWPIYPBVOCKQ-QUCCMNQESA-N 4 1 345.535 1.914 20 0 EDADMP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)N1CCOCC1 ZINC000261803339 443169773 /nfs/dbraw/zinc/16/97/73/443169773.db2.gz OHTRPRXXIPMYLJ-INIZCTEOSA-N 2 1 349.500 1.551 20 0 EDADMP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)N1CCOCC1 ZINC000261803339 443169778 /nfs/dbraw/zinc/16/97/78/443169778.db2.gz OHTRPRXXIPMYLJ-INIZCTEOSA-N 2 1 349.500 1.551 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000245397995 443223959 /nfs/dbraw/zinc/22/39/59/443223959.db2.gz RDASEIPISVYCNW-SJORKVTESA-N 2 1 342.528 1.763 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000245397995 443223962 /nfs/dbraw/zinc/22/39/62/443223962.db2.gz RDASEIPISVYCNW-SJORKVTESA-N 2 1 342.528 1.763 20 0 EDADMP C[N@H+]1CCCN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000266773155 443235845 /nfs/dbraw/zinc/23/58/45/443235845.db2.gz KKIGLNMJSSSKAS-SFHVURJKSA-N 2 1 331.460 1.442 20 0 EDADMP C[N@@H+]1CCCN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000266773155 443235849 /nfs/dbraw/zinc/23/58/49/443235849.db2.gz KKIGLNMJSSSKAS-SFHVURJKSA-N 2 1 331.460 1.442 20 0 EDADMP C[N@H+]1CCCN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000266773155 443235852 /nfs/dbraw/zinc/23/58/52/443235852.db2.gz KKIGLNMJSSSKAS-SFHVURJKSA-N 2 1 331.460 1.442 20 0 EDADMP C[NH+]1CCCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000266773155 443235859 /nfs/dbraw/zinc/23/58/59/443235859.db2.gz KKIGLNMJSSSKAS-SFHVURJKSA-N 2 1 331.460 1.442 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000341061133 318986028 /nfs/dbraw/zinc/98/60/28/318986028.db2.gz ZQQVYITXRWLQOR-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262771298 443211934 /nfs/dbraw/zinc/21/19/34/443211934.db2.gz MJSOSYLZQWCDBZ-TWMKSMIVSA-N 2 1 347.507 1.904 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)C1 ZINC000269247310 443249635 /nfs/dbraw/zinc/24/96/35/443249635.db2.gz FCADCBABZULJSI-FRFSOERESA-N 2 1 333.432 1.069 20 0 EDADMP COc1ccc(Br)c(C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000397053881 319133754 /nfs/dbraw/zinc/13/37/54/319133754.db2.gz GJKYRPMQRSDKHZ-UHFFFAOYSA-N 2 1 329.238 1.743 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000410807549 319160225 /nfs/dbraw/zinc/16/02/25/319160225.db2.gz IIGSJAFSUDAEIK-MRXNPFEDSA-N 2 1 340.512 1.119 20 0 EDADMP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000266812824 443252225 /nfs/dbraw/zinc/25/22/25/443252225.db2.gz HYSQIDSZHBPRSA-IBGZPJMESA-N 2 1 342.487 1.505 20 0 EDADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)CC(=O)N(C)C ZINC000414271583 319323760 /nfs/dbraw/zinc/32/37/60/319323760.db2.gz QXMABTUPQJQQHQ-QXAKKESOSA-N 2 1 347.503 1.980 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)CC(=O)N(C)C ZINC000414271583 319323761 /nfs/dbraw/zinc/32/37/61/319323761.db2.gz QXMABTUPQJQQHQ-QXAKKESOSA-N 2 1 347.503 1.980 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CCN(CC[NH2+]C(C)(C)C)CC2)CC1 ZINC000414687350 319342103 /nfs/dbraw/zinc/34/21/03/319342103.db2.gz CMZZZXIVYCFLHN-UHFFFAOYSA-N 2 1 338.540 1.641 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+]1CCC[C@@H](C)C1 ZINC000414692282 319343488 /nfs/dbraw/zinc/34/34/88/319343488.db2.gz APZFFHUQIBOKSI-ZIAGYGMSSA-N 2 1 344.459 1.465 20 0 EDADMP COC(=O)[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000415010986 319345579 /nfs/dbraw/zinc/34/55/79/319345579.db2.gz VKZFRROSIGHZHB-TZMCWYRMSA-N 2 1 342.386 1.961 20 0 EDADMP C[C@@]1(C(N)=O)CCCC[NH+]1CCCC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185917498 443282822 /nfs/dbraw/zinc/28/28/22/443282822.db2.gz FBSNQAUHMMLDBQ-ROUUACIJSA-N 2 1 338.496 1.226 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH+]3CCc4ccccc4C3)CC2)C1 ZINC000266838312 443262369 /nfs/dbraw/zinc/26/23/69/443262369.db2.gz LUSXFHFTSITJFZ-IBGZPJMESA-N 2 1 343.471 1.366 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH+]3CCc4ccccc4C3)CC2)C1 ZINC000266838312 443262373 /nfs/dbraw/zinc/26/23/73/443262373.db2.gz LUSXFHFTSITJFZ-IBGZPJMESA-N 2 1 343.471 1.366 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC000266838312 443262376 /nfs/dbraw/zinc/26/23/76/443262376.db2.gz LUSXFHFTSITJFZ-IBGZPJMESA-N 2 1 343.471 1.366 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC000266838312 443262381 /nfs/dbraw/zinc/26/23/81/443262381.db2.gz LUSXFHFTSITJFZ-IBGZPJMESA-N 2 1 343.471 1.366 20 0 EDADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)CC[N@H+]1C ZINC000186037650 443301602 /nfs/dbraw/zinc/30/16/02/443301602.db2.gz UTGUAHRJJPQUPB-GOEBONIOSA-N 2 1 337.489 1.799 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000416916099 319473501 /nfs/dbraw/zinc/47/35/01/319473501.db2.gz HHQQTDPFKNBIBN-LMRVLLHPSA-N 2 1 326.485 1.443 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418681785 319510801 /nfs/dbraw/zinc/51/08/01/319510801.db2.gz VUFCNXIUKRWJRL-RDJZCZTQSA-N 2 1 334.464 1.175 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](CCN3CCO[C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000191472686 443299028 /nfs/dbraw/zinc/29/90/28/443299028.db2.gz QKZBAXKSBISONN-OKZBNKHCSA-N 2 1 339.524 1.528 20 0 EDADMP C[N@@H+]1C[C@H]2CN(Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C[C@H]2C1 ZINC000278540167 443357713 /nfs/dbraw/zinc/35/77/13/443357713.db2.gz CKZRAJICUYLZIN-GASCZTMLSA-N 2 1 326.400 1.799 20 0 EDADMP C[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000278540167 443357717 /nfs/dbraw/zinc/35/77/17/443357717.db2.gz CKZRAJICUYLZIN-GASCZTMLSA-N 2 1 326.400 1.799 20 0 EDADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000278540167 443357719 /nfs/dbraw/zinc/35/77/19/443357719.db2.gz CKZRAJICUYLZIN-GASCZTMLSA-N 2 1 326.400 1.799 20 0 EDADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000278540167 443357723 /nfs/dbraw/zinc/35/77/23/443357723.db2.gz CKZRAJICUYLZIN-GASCZTMLSA-N 2 1 326.400 1.799 20 0 EDADMP C[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000278540167 443357726 /nfs/dbraw/zinc/35/77/26/443357726.db2.gz CKZRAJICUYLZIN-GASCZTMLSA-N 2 1 326.400 1.799 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+](C)C1CC1)[NH+]1CCc2sccc2C1 ZINC000264917476 443476473 /nfs/dbraw/zinc/47/64/73/443476473.db2.gz YMASKNRTNDUPRJ-ZDUSSCGKSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@@H+](C)C1CC1)[NH+]1CCc2sccc2C1 ZINC000264917476 443476475 /nfs/dbraw/zinc/47/64/75/443476475.db2.gz YMASKNRTNDUPRJ-ZDUSSCGKSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+](C)C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000264917476 443476479 /nfs/dbraw/zinc/47/64/79/443476479.db2.gz YMASKNRTNDUPRJ-ZDUSSCGKSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+](C)C1CC1)[N@H+]1CCc2sccc2C1 ZINC000264917476 443476482 /nfs/dbraw/zinc/47/64/82/443476482.db2.gz YMASKNRTNDUPRJ-ZDUSSCGKSA-N 2 1 336.505 1.888 20 0 EDADMP C[NH+](C)CCCCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264924153 443478081 /nfs/dbraw/zinc/47/80/81/443478081.db2.gz LDWOSBCAZLVLIQ-SFHVURJKSA-N 2 1 332.492 1.433 20 0 EDADMP C[N@@H+](CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000278986302 443482618 /nfs/dbraw/zinc/48/26/18/443482618.db2.gz KMLMCDDTLWXOSA-HNNXBMFYSA-N 2 1 327.432 1.348 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCC[NH+]1C ZINC000264981755 443499162 /nfs/dbraw/zinc/49/91/62/443499162.db2.gz LNWKNWBKZGTZJA-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000264981755 443499164 /nfs/dbraw/zinc/49/91/64/443499164.db2.gz LNWKNWBKZGTZJA-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCC[N@H+]1C ZINC000264981755 443499166 /nfs/dbraw/zinc/49/91/66/443499166.db2.gz LNWKNWBKZGTZJA-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)CC[NH2+]CC1 ZINC000423262437 319759877 /nfs/dbraw/zinc/75/98/77/319759877.db2.gz MPIIBGNQSASHPX-GOEBONIOSA-N 3 1 325.497 1.805 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000423341403 319765575 /nfs/dbraw/zinc/76/55/75/319765575.db2.gz UICMKTRWFXWUNK-YJBOKZPZSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423435357 319774827 /nfs/dbraw/zinc/77/48/27/319774827.db2.gz SMVPZKLRNRWHGT-DOTOQJQBSA-N 2 1 333.476 1.940 20 0 EDADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000283106482 443524486 /nfs/dbraw/zinc/52/44/86/443524486.db2.gz MCPRSXOJDMMTJL-UHFFFAOYSA-N 2 1 329.366 1.700 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000283106482 443524488 /nfs/dbraw/zinc/52/44/88/443524488.db2.gz MCPRSXOJDMMTJL-UHFFFAOYSA-N 2 1 329.366 1.700 20 0 EDADMP CC(C)[C@H](CO)[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000283272252 443584362 /nfs/dbraw/zinc/58/43/62/443584362.db2.gz WRQRGNOYXGXRAT-IBGZPJMESA-N 2 1 347.503 1.670 20 0 EDADMP CC(C)[C@H](CO)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000283272252 443584366 /nfs/dbraw/zinc/58/43/66/443584366.db2.gz WRQRGNOYXGXRAT-IBGZPJMESA-N 2 1 347.503 1.670 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000273142034 443549676 /nfs/dbraw/zinc/54/96/76/443549676.db2.gz WXXJTEDJNPCQFW-AOIWGVFYSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1-n1ccnn1 ZINC000286150909 443656825 /nfs/dbraw/zinc/65/68/25/443656825.db2.gz PLAVHXFINNJZRX-JKSUJKDBSA-N 2 1 329.448 1.765 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444269845 320123720 /nfs/dbraw/zinc/12/37/20/320123720.db2.gz OUEKHBNSKUUSPG-AZUAARDMSA-N 2 1 342.487 1.267 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000447446445 320142579 /nfs/dbraw/zinc/14/25/79/320142579.db2.gz HSUPJTWSHYWODY-ZQIUZPCESA-N 2 1 335.448 1.598 20 0 EDADMP CC(C)[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449678506 320199183 /nfs/dbraw/zinc/19/91/83/320199183.db2.gz BDKXGDGCKNVWJS-TWMKSMIVSA-N 2 1 325.497 1.769 20 0 EDADMP CC(C)[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449678506 320199186 /nfs/dbraw/zinc/19/91/86/320199186.db2.gz BDKXGDGCKNVWJS-TWMKSMIVSA-N 2 1 325.497 1.769 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000449717608 320201808 /nfs/dbraw/zinc/20/18/08/320201808.db2.gz DUWITLPFNPCSBD-NXHRZFHOSA-N 2 1 330.476 1.219 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000452157851 320244914 /nfs/dbraw/zinc/24/49/14/320244914.db2.gz YKEMKPBZIPPVJB-HKUYNNGSSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)C[C@@H]21 ZINC000453032140 320259738 /nfs/dbraw/zinc/25/97/38/320259738.db2.gz JDGJRGLIGFQFCO-MOPGFXCFSA-N 2 1 342.487 1.210 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)cc2)CC1 ZINC000453032140 320259743 /nfs/dbraw/zinc/25/97/43/320259743.db2.gz JDGJRGLIGFQFCO-MOPGFXCFSA-N 2 1 342.487 1.210 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)cc2)CC1 ZINC000453032140 320259745 /nfs/dbraw/zinc/25/97/45/320259745.db2.gz JDGJRGLIGFQFCO-MOPGFXCFSA-N 2 1 342.487 1.210 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000457607586 320330817 /nfs/dbraw/zinc/33/08/17/320330817.db2.gz SBPUQTZQYAMCEA-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000458777443 320341026 /nfs/dbraw/zinc/34/10/26/320341026.db2.gz AJIQXVNFNDZRHI-MRXNPFEDSA-N 2 1 341.544 1.430 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000458777443 320341027 /nfs/dbraw/zinc/34/10/27/320341027.db2.gz AJIQXVNFNDZRHI-MRXNPFEDSA-N 2 1 341.544 1.430 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000458777443 320341028 /nfs/dbraw/zinc/34/10/28/320341028.db2.gz AJIQXVNFNDZRHI-MRXNPFEDSA-N 2 1 341.544 1.430 20 0 EDADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](c2ncc[nH]2)C1)C1CCCC1 ZINC000286381658 443701855 /nfs/dbraw/zinc/70/18/55/443701855.db2.gz NEGGTZYQMKRYBS-AWEZNQCLSA-N 2 1 347.463 1.106 20 0 EDADMP Cn1cncc1CCC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000276637707 443773440 /nfs/dbraw/zinc/77/34/40/443773440.db2.gz UNMUZNWAQCKHQK-GOSISDBHSA-N 2 1 342.443 1.236 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)N2CCn3cncc3C2)[C@H]1c1ccccc1 ZINC000293068908 443916901 /nfs/dbraw/zinc/91/69/01/443916901.db2.gz SATFFJUVWMQRDA-IAGOWNOFSA-N 2 1 325.416 1.854 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000277298833 443955336 /nfs/dbraw/zinc/95/53/36/443955336.db2.gz JPPPTZQQAIALLQ-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000561195462 321036153 /nfs/dbraw/zinc/03/61/53/321036153.db2.gz VGMRDHCGHRDSQQ-XABWRGDLSA-N 2 1 328.460 1.557 20 0 EDADMP CC[NH+]1CCC(CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000564766072 321145997 /nfs/dbraw/zinc/14/59/97/321145997.db2.gz CXGCQZLZEXZWAF-UHFFFAOYSA-N 2 1 344.463 1.684 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000567120921 321241575 /nfs/dbraw/zinc/24/15/75/321241575.db2.gz SRUFWTOPALSMLO-MRXNPFEDSA-N 2 1 343.874 1.909 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000572285703 321424868 /nfs/dbraw/zinc/42/48/68/321424868.db2.gz ASKLNQFTCRRGMN-ZWKOTPCHSA-N 2 1 344.507 1.335 20 0 EDADMP CN(CCC[N@@H+](C)C[C@H](O)COc1ccccc1F)CC[NH+](C)C ZINC000289531842 444166067 /nfs/dbraw/zinc/16/60/67/444166067.db2.gz WEEZUCNFUDKXRY-INIZCTEOSA-N 2 1 341.471 1.381 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000289562573 444172588 /nfs/dbraw/zinc/17/25/88/444172588.db2.gz CTTRRBBYNZCILB-FZKQIMNGSA-N 2 1 349.500 1.785 20 0 EDADMP Cc1ccccc1CNC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289593209 444178457 /nfs/dbraw/zinc/17/84/57/444178457.db2.gz ZRENYJQZUBLNJR-UHFFFAOYSA-N 2 1 334.508 1.427 20 0 EDADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000304409600 444249116 /nfs/dbraw/zinc/24/91/16/444249116.db2.gz UFWOKUMLGVAHDC-IEWDOMPSSA-N 2 1 339.524 1.404 20 0 EDADMP C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000576801597 321596997 /nfs/dbraw/zinc/59/69/97/321596997.db2.gz WSRQKHWMIZNKFD-HUUCEWRRSA-N 2 1 326.485 1.269 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)cn2)CC1 ZINC000290326867 444267967 /nfs/dbraw/zinc/26/79/67/444267967.db2.gz DKOFIEXZOLSSGH-CEXWTWQISA-N 2 1 335.455 1.656 20 0 EDADMP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cnn(-c2cc[nH+]cc2)c1 ZINC000296657700 444246221 /nfs/dbraw/zinc/24/62/21/444246221.db2.gz XZRLVUQABFPHNX-QGZVFWFLSA-N 2 1 343.431 1.234 20 0 EDADMP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cnn(-c2cc[nH+]cc2)c1 ZINC000296657700 444246223 /nfs/dbraw/zinc/24/62/23/444246223.db2.gz XZRLVUQABFPHNX-QGZVFWFLSA-N 2 1 343.431 1.234 20 0 EDADMP CCC[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000305720831 444275484 /nfs/dbraw/zinc/27/54/84/444275484.db2.gz PDNZQHWFFNTXDD-OKZBNKHCSA-N 2 1 333.476 1.468 20 0 EDADMP CC(C)OC[C@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000305803672 444281343 /nfs/dbraw/zinc/28/13/43/444281343.db2.gz FPJSWWFEDQWJRX-UJJTZGENSA-N 2 1 325.497 1.015 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000297818498 444338228 /nfs/dbraw/zinc/33/82/28/444338228.db2.gz NKIPZKNDSFEWSS-GOSISDBHSA-N 2 1 326.444 1.872 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000297818498 444338230 /nfs/dbraw/zinc/33/82/30/444338230.db2.gz NKIPZKNDSFEWSS-GOSISDBHSA-N 2 1 326.444 1.872 20 0 EDADMP CC(C)C[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000323981949 444348562 /nfs/dbraw/zinc/34/85/62/444348562.db2.gz JJUZFYJMSWJWOH-ZACQAIPSSA-N 2 1 325.497 1.757 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000337714359 444368738 /nfs/dbraw/zinc/36/87/38/444368738.db2.gz DYTIDZDBXANNJK-UHFFFAOYSA-N 2 1 342.528 1.718 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000337714359 444368743 /nfs/dbraw/zinc/36/87/43/444368743.db2.gz DYTIDZDBXANNJK-UHFFFAOYSA-N 2 1 342.528 1.718 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000331218583 444447664 /nfs/dbraw/zinc/44/76/64/444447664.db2.gz HOLWGAMIRJBXBX-CZUORRHYSA-N 2 1 343.468 1.376 20 0 EDADMP CN(C)c1nc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000340570310 444444427 /nfs/dbraw/zinc/44/44/27/444444427.db2.gz HFJBSOXEQUFEJF-JKSUJKDBSA-N 2 1 327.432 1.590 20 0 EDADMP CN(C)c1nc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000340570310 444444433 /nfs/dbraw/zinc/44/44/33/444444433.db2.gz HFJBSOXEQUFEJF-JKSUJKDBSA-N 2 1 327.432 1.590 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](Cc2ccccc2)C[C@H]1C ZINC000580462068 322055371 /nfs/dbraw/zinc/05/53/71/322055371.db2.gz PGHIKXLKRIBHNU-GGPKGHCWSA-N 2 1 349.519 1.520 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000580462068 322055372 /nfs/dbraw/zinc/05/53/72/322055372.db2.gz PGHIKXLKRIBHNU-GGPKGHCWSA-N 2 1 349.519 1.520 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000580462068 322055375 /nfs/dbraw/zinc/05/53/75/322055375.db2.gz PGHIKXLKRIBHNU-GGPKGHCWSA-N 2 1 349.519 1.520 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]([NH3+])C1CCC1 ZINC000581009610 322123977 /nfs/dbraw/zinc/12/39/77/322123977.db2.gz FNUFWWSVLHBKRY-GOSISDBHSA-N 2 1 330.476 1.394 20 0 EDADMP C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000581200636 322149529 /nfs/dbraw/zinc/14/95/29/322149529.db2.gz RATFXJVIFDYOKY-CVEARBPZSA-N 2 1 347.507 1.828 20 0 EDADMP C[NH+]1CCC(CCO)([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000581260175 322157244 /nfs/dbraw/zinc/15/72/44/322157244.db2.gz FIKQKIGGJRRKBT-UHFFFAOYSA-N 2 1 332.492 1.482 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581537774 322188780 /nfs/dbraw/zinc/18/87/80/322188780.db2.gz NPNNFFGBIVEZDN-MSOLQXFVSA-N 2 1 344.459 1.022 20 0 EDADMP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000332596362 444521432 /nfs/dbraw/zinc/52/14/32/444521432.db2.gz HVNGCYPKWPLMDE-LVQVYYBASA-N 2 1 329.510 1.311 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)C1 ZINC000342216783 444570130 /nfs/dbraw/zinc/57/01/30/444570130.db2.gz LUWSAXWYVQJVKL-SFHVURJKSA-N 2 1 331.460 1.983 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)C1 ZINC000342216783 444570132 /nfs/dbraw/zinc/57/01/32/444570132.db2.gz LUWSAXWYVQJVKL-SFHVURJKSA-N 2 1 331.460 1.983 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)C1 ZINC000342216783 444570135 /nfs/dbraw/zinc/57/01/35/444570135.db2.gz LUWSAXWYVQJVKL-SFHVURJKSA-N 2 1 331.460 1.983 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)C1 ZINC000342216783 444570138 /nfs/dbraw/zinc/57/01/38/444570138.db2.gz LUWSAXWYVQJVKL-SFHVURJKSA-N 2 1 331.460 1.983 20 0 EDADMP CC(C)[C@H](CNC(=O)C1([NH3+])CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000338150806 444537945 /nfs/dbraw/zinc/53/79/45/444537945.db2.gz PONVAOQTGDQCQD-SFHVURJKSA-N 2 1 345.487 1.693 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CCC[N@H+]1C ZINC000343713840 444539930 /nfs/dbraw/zinc/53/99/30/444539930.db2.gz NSTWKXJREAUNKU-RDJZCZTQSA-N 2 1 348.491 1.909 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000333013982 444629320 /nfs/dbraw/zinc/62/93/20/444629320.db2.gz VEMMJQQQKODYQK-GJZGRUSLSA-N 2 1 342.447 1.579 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000333013982 444629324 /nfs/dbraw/zinc/62/93/24/444629324.db2.gz VEMMJQQQKODYQK-GJZGRUSLSA-N 2 1 342.447 1.579 20 0 EDADMP C[C@H]1C[N@@H+](C)CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000343783710 444588278 /nfs/dbraw/zinc/58/82/78/444588278.db2.gz GAILDTDYQMIKNH-KRWDZBQOSA-N 2 1 344.503 1.535 20 0 EDADMP C[C@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H]1[NH+]1CCOCC1 ZINC000333274976 444652776 /nfs/dbraw/zinc/65/27/76/444652776.db2.gz GQQVSVQTWKTPGE-KBXCAEBGSA-N 2 1 344.459 1.517 20 0 EDADMP O=C(NC1CC[NH+](C2CCC2)CC1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333519397 444677936 /nfs/dbraw/zinc/67/79/36/444677936.db2.gz GLVSLJYDLCMPRH-SFHVURJKSA-N 2 1 343.475 1.754 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)CC1 ZINC000343881115 444643638 /nfs/dbraw/zinc/64/36/38/444643638.db2.gz SWMDMDURCKNRTO-MRXNPFEDSA-N 2 1 325.497 1.270 20 0 EDADMP COC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000342345736 444644818 /nfs/dbraw/zinc/64/48/18/444644818.db2.gz PSFNAIBTDMNIPK-SFHVURJKSA-N 2 1 349.450 1.846 20 0 EDADMP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCC[NH+]1CCSCC1 ZINC000343989696 444712308 /nfs/dbraw/zinc/71/23/08/444712308.db2.gz JTMACMZQMZBWPN-GJZGRUSLSA-N 2 1 326.510 1.303 20 0 EDADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCC[NH+]1CCSCC1 ZINC000343989696 444712311 /nfs/dbraw/zinc/71/23/11/444712311.db2.gz JTMACMZQMZBWPN-GJZGRUSLSA-N 2 1 326.510 1.303 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333945741 444725642 /nfs/dbraw/zinc/72/56/42/444725642.db2.gz TYPKEOGBKXSWRE-HIEASXQVSA-N 2 1 349.523 1.129 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333945741 444725645 /nfs/dbraw/zinc/72/56/45/444725645.db2.gz TYPKEOGBKXSWRE-HIEASXQVSA-N 2 1 349.523 1.129 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333945741 444725648 /nfs/dbraw/zinc/72/56/48/444725648.db2.gz TYPKEOGBKXSWRE-HIEASXQVSA-N 2 1 349.523 1.129 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000333950939 444727524 /nfs/dbraw/zinc/72/75/24/444727524.db2.gz YOKPILZDMLQFOW-BFJAYTPKSA-N 2 1 348.516 1.873 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000333950939 444727527 /nfs/dbraw/zinc/72/75/27/444727527.db2.gz YOKPILZDMLQFOW-BFJAYTPKSA-N 2 1 348.516 1.873 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)C[C@H]1C ZINC000344020622 444732199 /nfs/dbraw/zinc/73/21/99/444732199.db2.gz XKRKXWOPADPTGP-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)C[C@H]1C ZINC000344020622 444732201 /nfs/dbraw/zinc/73/22/01/444732201.db2.gz XKRKXWOPADPTGP-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC000344020622 444732203 /nfs/dbraw/zinc/73/22/03/444732203.db2.gz XKRKXWOPADPTGP-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC000344020622 444732204 /nfs/dbraw/zinc/73/22/04/444732204.db2.gz XKRKXWOPADPTGP-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344034560 444740914 /nfs/dbraw/zinc/74/09/14/444740914.db2.gz HCECFJPCNCKVBE-INIZCTEOSA-N 2 1 326.529 1.639 20 0 EDADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)[C@@H]1C ZINC000344054543 444753201 /nfs/dbraw/zinc/75/32/01/444753201.db2.gz JCUREKSRPYDARF-KZNAEPCWSA-N 2 1 340.556 1.743 20 0 EDADMP OC[C@]1(F)CC[NH+](Cc2ccc(C[N@H+]3CC[C@@](F)(CO)C3)cc2)C1 ZINC000338585479 444757302 /nfs/dbraw/zinc/75/73/02/444757302.db2.gz REESJHLBWWJHNK-ROUUACIJSA-N 2 1 340.414 1.499 20 0 EDADMP OC[C@]1(F)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@](F)(CO)C3)cc2)C1 ZINC000338585479 444757305 /nfs/dbraw/zinc/75/73/05/444757305.db2.gz REESJHLBWWJHNK-ROUUACIJSA-N 2 1 340.414 1.499 20 0 EDADMP CC[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1C[C@H](C)O ZINC000334102913 444780493 /nfs/dbraw/zinc/78/04/93/444780493.db2.gz WYNJIBOTXJBGAS-BWNFHQQQSA-N 2 1 338.496 1.098 20 0 EDADMP CC[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1C[C@H](C)O ZINC000334102913 444780497 /nfs/dbraw/zinc/78/04/97/444780497.db2.gz WYNJIBOTXJBGAS-BWNFHQQQSA-N 2 1 338.496 1.098 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C(C)(C)C)C2)C1 ZINC000344164899 444817214 /nfs/dbraw/zinc/81/72/14/444817214.db2.gz PFODQFSVACADSN-IRXDYDNUSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)C2)C1 ZINC000344164899 444817219 /nfs/dbraw/zinc/81/72/19/444817219.db2.gz PFODQFSVACADSN-IRXDYDNUSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](C(C)(C)C)C2)C1 ZINC000344164899 444817223 /nfs/dbraw/zinc/81/72/23/444817223.db2.gz PFODQFSVACADSN-IRXDYDNUSA-N 2 1 339.524 1.827 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCC[N@H+]1C ZINC000344235392 444855209 /nfs/dbraw/zinc/85/52/09/444855209.db2.gz KWWWOJVMPHZJEY-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)NCCn2cc[nH+]c2C)CC1 ZINC000341431979 444827636 /nfs/dbraw/zinc/82/76/36/444827636.db2.gz NSFKUDNRTJCEJH-UHFFFAOYSA-N 2 1 337.468 1.380 20 0 EDADMP CC[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000341568206 444899002 /nfs/dbraw/zinc/89/90/02/444899002.db2.gz WBDGXCONWAFCAE-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@H+]2C[C@H](C[NH3+])[C@@H](c3ccccc3)C2)C1=O ZINC000337041603 444913411 /nfs/dbraw/zinc/91/34/11/444913411.db2.gz BKWREOXUQCRVMB-JKSUJKDBSA-N 2 1 344.459 1.381 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000337193702 444980753 /nfs/dbraw/zinc/98/07/53/444980753.db2.gz UTQWQAHDRHHDNV-MRXNPFEDSA-N 2 1 333.476 1.327 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067506 445017685 /nfs/dbraw/zinc/01/76/85/445017685.db2.gz LBNLHMWBQCTWLM-GJZGRUSLSA-N 2 1 334.464 1.458 20 0 EDADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343084673 445050698 /nfs/dbraw/zinc/05/06/98/445050698.db2.gz TUMVHDOVNOIOAF-SFHVURJKSA-N 2 1 348.535 1.681 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000337550260 445133118 /nfs/dbraw/zinc/13/31/18/445133118.db2.gz YXEVORYUCPTDJH-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP COCc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342098765 445171569 /nfs/dbraw/zinc/17/15/69/445171569.db2.gz IXUXOAYFNKHRHV-RCCFBDPRSA-N 2 1 331.460 1.508 20 0 EDADMP COCc1cccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342098765 445171573 /nfs/dbraw/zinc/17/15/73/445171573.db2.gz IXUXOAYFNKHRHV-RCCFBDPRSA-N 2 1 331.460 1.508 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)CC[N@@H+]1C ZINC000345304078 445178973 /nfs/dbraw/zinc/17/89/73/445178973.db2.gz LLLGGBIYSBNGDH-VWMOJTHMSA-N 2 1 328.460 1.958 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)CC[N@H+]1C ZINC000345304078 445178975 /nfs/dbraw/zinc/17/89/75/445178975.db2.gz LLLGGBIYSBNGDH-VWMOJTHMSA-N 2 1 328.460 1.958 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000339459069 445143996 /nfs/dbraw/zinc/14/39/96/445143996.db2.gz HLFZKEATRVPIMG-UHFFFAOYSA-N 2 1 338.496 1.369 20 0 EDADMP COC[C@@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC(C)(C)O1 ZINC000343338590 445204550 /nfs/dbraw/zinc/20/45/50/445204550.db2.gz DSQIVTNPSRFHBV-KRWDZBQOSA-N 2 1 327.513 1.528 20 0 EDADMP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000343346582 445206454 /nfs/dbraw/zinc/20/64/54/445206454.db2.gz JGTRTRVQGDOFNM-UHFFFAOYSA-N 2 1 345.447 1.231 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000345765212 445198761 /nfs/dbraw/zinc/19/87/61/445198761.db2.gz YYZXYJTVFSYYJG-YQQAZPJKSA-N 2 1 340.512 1.203 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000347332462 445236119 /nfs/dbraw/zinc/23/61/19/445236119.db2.gz GFAGPBHLXYLPHA-WMLDXEAASA-N 2 1 340.489 1.789 20 0 EDADMP CCC[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000347879262 445252798 /nfs/dbraw/zinc/25/27/98/445252798.db2.gz UGQCJWUATDASQF-CGTJXYLNSA-N 2 1 349.523 1.992 20 0 EDADMP CCC[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)[NH+](C)C ZINC000347879264 445252901 /nfs/dbraw/zinc/25/29/01/445252901.db2.gz UGQCJWUATDASQF-JQHSSLGASA-N 2 1 349.523 1.992 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000354500811 445266011 /nfs/dbraw/zinc/26/60/11/445266011.db2.gz CZWSKBMKMCJOMC-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000354500811 445266014 /nfs/dbraw/zinc/26/60/14/445266014.db2.gz CZWSKBMKMCJOMC-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000354500811 445266017 /nfs/dbraw/zinc/26/60/17/445266017.db2.gz CZWSKBMKMCJOMC-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000354500811 445266020 /nfs/dbraw/zinc/26/60/20/445266020.db2.gz CZWSKBMKMCJOMC-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)CC[C@@H]3CCCC[NH+]3C)CC2)CCO1 ZINC000351706391 445282830 /nfs/dbraw/zinc/28/28/30/445282830.db2.gz IOZOGNWOVLMSOA-SJORKVTESA-N 2 1 337.508 1.963 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000351706391 445282834 /nfs/dbraw/zinc/28/28/34/445282834.db2.gz IOZOGNWOVLMSOA-SJORKVTESA-N 2 1 337.508 1.963 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000351706391 445282839 /nfs/dbraw/zinc/28/28/39/445282839.db2.gz IOZOGNWOVLMSOA-SJORKVTESA-N 2 1 337.508 1.963 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@H](OC)C[C@H]1C[NH+]1CCCC1)C(C)C ZINC000348129576 445284118 /nfs/dbraw/zinc/28/41/18/445284118.db2.gz TZIMGFWMCTWOPX-DLBZAZTESA-N 2 1 340.512 1.611 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)Cc2ccncc2)cc[nH+]1 ZINC000348172602 445303024 /nfs/dbraw/zinc/30/30/24/445303024.db2.gz RZXJHGAZXYZELD-CVEARBPZSA-N 2 1 344.438 1.986 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)Cc2ccncc2)cc[nH+]1 ZINC000348172602 445303027 /nfs/dbraw/zinc/30/30/27/445303027.db2.gz RZXJHGAZXYZELD-CVEARBPZSA-N 2 1 344.438 1.986 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@H](O)[C@@H](C)C3)CC2)cc1 ZINC000351812183 445330694 /nfs/dbraw/zinc/33/06/94/445330694.db2.gz PBERSZCWHQJCOF-HKUYNNGSSA-N 2 1 345.487 1.342 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H](O)[C@@H](C)C3)CC2)cc1 ZINC000351812183 445330695 /nfs/dbraw/zinc/33/06/95/445330695.db2.gz PBERSZCWHQJCOF-HKUYNNGSSA-N 2 1 345.487 1.342 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H](O)[C@@H](C)C3)CC2)cc1 ZINC000351812183 445330698 /nfs/dbraw/zinc/33/06/98/445330698.db2.gz PBERSZCWHQJCOF-HKUYNNGSSA-N 2 1 345.487 1.342 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000351861936 445346343 /nfs/dbraw/zinc/34/63/43/445346343.db2.gz MMRKIQHLZAMXPM-YJBOKZPZSA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000351861936 445346344 /nfs/dbraw/zinc/34/63/44/445346344.db2.gz MMRKIQHLZAMXPM-YJBOKZPZSA-N 2 1 333.476 1.897 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000351863714 445347020 /nfs/dbraw/zinc/34/70/20/445347020.db2.gz UQUKAPDKPPTVHA-GJZGRUSLSA-N 2 1 344.459 1.811 20 0 EDADMP CN1CC[NH+](CC2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)CC1 ZINC000354718542 445349743 /nfs/dbraw/zinc/34/97/43/445349743.db2.gz MCYOSJHEDIQUCB-KRWDZBQOSA-N 2 1 345.491 1.247 20 0 EDADMP CC[N@@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000348861761 445420112 /nfs/dbraw/zinc/42/01/12/445420112.db2.gz RDTBXESIEWVTSP-RTBURBONSA-N 2 1 345.487 1.906 20 0 EDADMP CC[N@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000348861761 445420115 /nfs/dbraw/zinc/42/01/15/445420115.db2.gz RDTBXESIEWVTSP-RTBURBONSA-N 2 1 345.487 1.906 20 0 EDADMP CCOC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354849700 445423730 /nfs/dbraw/zinc/42/37/30/445423730.db2.gz LXHROSREXIPJHT-WMZOPIPTSA-N 2 1 326.481 1.744 20 0 EDADMP CCOC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354849700 445423735 /nfs/dbraw/zinc/42/37/35/445423735.db2.gz LXHROSREXIPJHT-WMZOPIPTSA-N 2 1 326.481 1.744 20 0 EDADMP C[C@@H]1C[N@H+](C)CCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000348877081 445427005 /nfs/dbraw/zinc/42/70/05/445427005.db2.gz FJCWESMDWGMIFO-GOSISDBHSA-N 2 1 344.503 1.751 20 0 EDADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000348877081 445427008 /nfs/dbraw/zinc/42/70/08/445427008.db2.gz FJCWESMDWGMIFO-GOSISDBHSA-N 2 1 344.503 1.751 20 0 EDADMP CC[NH+]1CCC(NC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000359901274 445479970 /nfs/dbraw/zinc/47/99/70/445479970.db2.gz PWALWSCYVLKPIF-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)CCCC[NH+]1CCOCC1 ZINC000357115739 445436335 /nfs/dbraw/zinc/43/63/35/445436335.db2.gz FDGIRCWYAOJKRM-UHFFFAOYSA-N 2 1 325.497 1.823 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C[C@H](C)O1 ZINC000362557913 445438932 /nfs/dbraw/zinc/43/89/32/445438932.db2.gz DWCMYJITMXKHLK-ZNMIVQPWSA-N 2 1 349.479 1.106 20 0 EDADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000355519547 445466864 /nfs/dbraw/zinc/46/68/64/445466864.db2.gz WYQDLAGXSFZQKC-CQSZACIVSA-N 2 1 336.505 1.842 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000355519547 445466869 /nfs/dbraw/zinc/46/68/69/445466869.db2.gz WYQDLAGXSFZQKC-CQSZACIVSA-N 2 1 336.505 1.842 20 0 EDADMP C[C@@H]1CC[NH+](C)CCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000355519547 445466875 /nfs/dbraw/zinc/46/68/75/445466875.db2.gz WYQDLAGXSFZQKC-CQSZACIVSA-N 2 1 336.505 1.842 20 0 EDADMP C[C@@H]1CC[NH+](C)CCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000355519547 445466878 /nfs/dbraw/zinc/46/68/78/445466878.db2.gz WYQDLAGXSFZQKC-CQSZACIVSA-N 2 1 336.505 1.842 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000357287920 445526926 /nfs/dbraw/zinc/52/69/26/445526926.db2.gz KLMJCAZTSAROJG-QGZVFWFLSA-N 2 1 346.475 1.677 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000359924905 445490807 /nfs/dbraw/zinc/49/08/07/445490807.db2.gz PMKQXKJDXQXKKJ-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000359924905 445490810 /nfs/dbraw/zinc/49/08/10/445490810.db2.gz PMKQXKJDXQXKKJ-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000359924905 445490813 /nfs/dbraw/zinc/49/08/13/445490813.db2.gz PMKQXKJDXQXKKJ-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)c1 ZINC000362824483 445566219 /nfs/dbraw/zinc/56/62/19/445566219.db2.gz AEWXEERXMAQOIS-QGZVFWFLSA-N 2 1 330.432 1.041 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000360124595 445580459 /nfs/dbraw/zinc/58/04/59/445580459.db2.gz LUMUXYHDPXSRCB-CVEARBPZSA-N 2 1 328.501 1.107 20 0 EDADMP C[C@@H](C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)N1CC[NH+](C)CC1 ZINC000360032390 445537603 /nfs/dbraw/zinc/53/76/03/445537603.db2.gz VFJOHEATTIOMEC-ADKAHSJRSA-N 2 1 336.524 1.345 20 0 EDADMP C[N@H+]1CC[C@](O)(CN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251955 445613665 /nfs/dbraw/zinc/61/36/65/445613665.db2.gz MYBOMMKKEVDCNS-BURNTYAHSA-N 2 1 343.515 1.943 20 0 EDADMP C[NH+]1CC[C@](O)(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251955 445613669 /nfs/dbraw/zinc/61/36/69/445613669.db2.gz MYBOMMKKEVDCNS-BURNTYAHSA-N 2 1 343.515 1.943 20 0 EDADMP C[NH+]1CC[C@](O)(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251955 445613671 /nfs/dbraw/zinc/61/36/71/445613671.db2.gz MYBOMMKKEVDCNS-BURNTYAHSA-N 2 1 343.515 1.943 20 0 EDADMP CN1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251955 445613673 /nfs/dbraw/zinc/61/36/73/445613673.db2.gz MYBOMMKKEVDCNS-BURNTYAHSA-N 2 1 343.515 1.943 20 0 EDADMP CN1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251955 445613675 /nfs/dbraw/zinc/61/36/75/445613675.db2.gz MYBOMMKKEVDCNS-BURNTYAHSA-N 2 1 343.515 1.943 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1CC)[NH+]1CCOCC1 ZINC000353466813 445614751 /nfs/dbraw/zinc/61/47/51/445614751.db2.gz JNZPSGZHSGVTPZ-ZACQAIPSSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000358534299 445638639 /nfs/dbraw/zinc/63/86/39/445638639.db2.gz VPBFKADTSFWHDG-BPQIPLTHSA-N 2 1 348.491 1.119 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000362986399 445639180 /nfs/dbraw/zinc/63/91/80/445639180.db2.gz KLWVVPITKNAKSI-WMLDXEAASA-N 2 1 331.460 1.780 20 0 EDADMP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccn(C)n1 ZINC000349450274 445590870 /nfs/dbraw/zinc/59/08/70/445590870.db2.gz HGMRSBYAXHAHTE-QGZVFWFLSA-N 2 1 343.475 1.952 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC1(O)CCC1 ZINC000353540063 445648248 /nfs/dbraw/zinc/64/82/48/445648248.db2.gz YGIFHBCEPGSBRL-WMZOPIPTSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC1(O)CCC1 ZINC000353540063 445648249 /nfs/dbraw/zinc/64/82/49/445648249.db2.gz YGIFHBCEPGSBRL-WMZOPIPTSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC1(O)CCC1 ZINC000353540063 445648255 /nfs/dbraw/zinc/64/82/55/445648255.db2.gz YGIFHBCEPGSBRL-WMZOPIPTSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCC[C@@H](C)C1 ZINC000363010400 445648272 /nfs/dbraw/zinc/64/82/72/445648272.db2.gz LVZXQGDNWUHZQI-NCOADZHNSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000363010400 445648279 /nfs/dbraw/zinc/64/82/79/445648279.db2.gz LVZXQGDNWUHZQI-NCOADZHNSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)[N@H+]1CCC[C@@H](C)C1 ZINC000363010400 445648283 /nfs/dbraw/zinc/64/82/83/445648283.db2.gz LVZXQGDNWUHZQI-NCOADZHNSA-N 2 1 338.496 1.269 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000349756987 445667926 /nfs/dbraw/zinc/66/79/26/445667926.db2.gz JMCBTPUVMQRTTQ-OAHLLOKOSA-N 2 1 340.512 1.023 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000349775306 445673882 /nfs/dbraw/zinc/67/38/82/445673882.db2.gz ITTWBRMJPFWJOY-IAGOWNOFSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000349775306 445673885 /nfs/dbraw/zinc/67/38/85/445673885.db2.gz ITTWBRMJPFWJOY-IAGOWNOFSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000349804955 445683781 /nfs/dbraw/zinc/68/37/81/445683781.db2.gz UTBPPXXUJRCYQE-LSDHHAIUSA-N 2 1 347.459 1.354 20 0 EDADMP CC(C)OCC[C@H](O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000349854922 445699898 /nfs/dbraw/zinc/69/98/98/445699898.db2.gz PMRFIRXQYJMRHI-ROUUACIJSA-N 2 1 327.513 1.264 20 0 EDADMP CC(C)OCC[C@H](O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000349854922 445699901 /nfs/dbraw/zinc/69/99/01/445699901.db2.gz PMRFIRXQYJMRHI-ROUUACIJSA-N 2 1 327.513 1.264 20 0 EDADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349903794 445716771 /nfs/dbraw/zinc/71/67/71/445716771.db2.gz BJYOJNMSMMXHMK-FGTMMUONSA-N 2 1 327.513 1.120 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@@H]1C ZINC000358739607 445752676 /nfs/dbraw/zinc/75/26/76/445752676.db2.gz BXBIRDCSDLEXPQ-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@@H]1C ZINC000358739607 445752681 /nfs/dbraw/zinc/75/26/81/445752681.db2.gz BXBIRDCSDLEXPQ-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000363323690 445766227 /nfs/dbraw/zinc/76/62/27/445766227.db2.gz CAQUBJDAMIESMV-ZWKOTPCHSA-N 2 1 336.524 1.395 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363323690 445766228 /nfs/dbraw/zinc/76/62/28/445766228.db2.gz CAQUBJDAMIESMV-ZWKOTPCHSA-N 2 1 336.524 1.395 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000363323690 445766230 /nfs/dbraw/zinc/76/62/30/445766230.db2.gz CAQUBJDAMIESMV-ZWKOTPCHSA-N 2 1 336.524 1.395 20 0 EDADMP COCC1(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)CC[NH2+]CC1 ZINC000358868157 445821254 /nfs/dbraw/zinc/82/12/54/445821254.db2.gz VLYOFONSFVTEBE-INIZCTEOSA-N 2 1 349.475 1.430 20 0 EDADMP C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000353854660 445785152 /nfs/dbraw/zinc/78/51/52/445785152.db2.gz YRHZNBDAECGCNO-HNNXBMFYSA-N 2 1 341.459 1.655 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000350256283 445801689 /nfs/dbraw/zinc/80/16/89/445801689.db2.gz SDECQXCGKQGBLD-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000350284614 445806033 /nfs/dbraw/zinc/80/60/33/445806033.db2.gz FDXSLVJRKJTVBZ-CQSZACIVSA-N 2 1 342.484 1.043 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000350284614 445806036 /nfs/dbraw/zinc/80/60/36/445806036.db2.gz FDXSLVJRKJTVBZ-CQSZACIVSA-N 2 1 342.484 1.043 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000356526362 445841635 /nfs/dbraw/zinc/84/16/35/445841635.db2.gz PFKMMPHLVKRECL-MRXNPFEDSA-N 2 1 340.512 1.071 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000354016291 445856499 /nfs/dbraw/zinc/85/64/99/445856499.db2.gz YOQADPUGFPQREU-WBVHZDCISA-N 2 1 325.497 1.770 20 0 EDADMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000361718349 445896996 /nfs/dbraw/zinc/89/69/96/445896996.db2.gz NCAAIRDIGLQGOJ-FVAVCCDCSA-N 2 1 335.492 1.667 20 0 EDADMP CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000372901346 445911285 /nfs/dbraw/zinc/91/12/85/445911285.db2.gz HOGLBQKLSBVEIG-CYBMUJFWSA-N 2 1 342.447 1.680 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C2CC2)n(C)n1 ZINC000359194290 446021545 /nfs/dbraw/zinc/02/15/45/446021545.db2.gz AQXYKJQRCCHLNT-MRXNPFEDSA-N 2 1 347.507 1.786 20 0 EDADMP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000359204482 446032839 /nfs/dbraw/zinc/03/28/39/446032839.db2.gz DPEVYPQRWVSVCD-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000359204482 446032843 /nfs/dbraw/zinc/03/28/43/446032843.db2.gz DPEVYPQRWVSVCD-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000354238036 446033849 /nfs/dbraw/zinc/03/38/49/446033849.db2.gz GWYQGFRYKYSHMX-HNNXBMFYSA-N 2 1 334.464 1.766 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CN(C2CC2)CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000366082229 446001927 /nfs/dbraw/zinc/00/19/27/446001927.db2.gz CJQWXIPZUNODSY-INMHGKMJSA-N 2 1 338.496 1.269 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)CC2)cs1 ZINC000373065402 446002089 /nfs/dbraw/zinc/00/20/89/446002089.db2.gz GRYUUVGQDQGILC-WMLDXEAASA-N 2 1 348.516 1.874 20 0 EDADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000583243697 326031685 /nfs/dbraw/zinc/03/16/85/326031685.db2.gz VDWOWJLRFMGCCE-MRXNPFEDSA-N 3 1 341.544 1.242 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000583371141 326059488 /nfs/dbraw/zinc/05/94/88/326059488.db2.gz FSAZVAIIBUYDJO-RYQLBKOJSA-N 2 1 347.459 1.440 20 0 EDADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000583504903 326086758 /nfs/dbraw/zinc/08/67/58/326086758.db2.gz JVKGRQRRSMQQQE-KRWDZBQOSA-N 2 1 331.420 1.281 20 0 EDADMP Cc1ccc(CCC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000351435616 446064636 /nfs/dbraw/zinc/06/46/36/446064636.db2.gz ZFXJXVKNADDVIQ-UHFFFAOYSA-N 2 1 330.476 1.563 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000351481317 446082363 /nfs/dbraw/zinc/08/23/63/446082363.db2.gz XHCQFWIMIPPQPU-ARFHVFGLSA-N 2 1 347.459 1.331 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000351481317 446082366 /nfs/dbraw/zinc/08/23/66/446082366.db2.gz XHCQFWIMIPPQPU-ARFHVFGLSA-N 2 1 347.459 1.331 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000369352763 446096022 /nfs/dbraw/zinc/09/60/22/446096022.db2.gz AJNKWCQDBQOGTG-SFHVURJKSA-N 2 1 348.466 1.866 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000359278860 446114536 /nfs/dbraw/zinc/11/45/36/446114536.db2.gz UAFSSMUXLSZWIB-FHERZECASA-N 2 1 340.512 1.070 20 0 EDADMP CCN(CC)C(=O)CCC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351595552 446192388 /nfs/dbraw/zinc/19/23/88/446192388.db2.gz REBFFAWFYVAEHB-SFHVURJKSA-N 2 1 339.524 1.802 20 0 EDADMP CCN(CC)C(=O)CCC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351595552 446192392 /nfs/dbraw/zinc/19/23/92/446192392.db2.gz REBFFAWFYVAEHB-SFHVURJKSA-N 2 1 339.524 1.802 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000373509075 446243033 /nfs/dbraw/zinc/24/30/33/446243033.db2.gz KWPFFHJRMGPJET-MRXNPFEDSA-N 2 1 333.480 1.768 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000373509075 446243036 /nfs/dbraw/zinc/24/30/36/446243036.db2.gz KWPFFHJRMGPJET-MRXNPFEDSA-N 2 1 333.480 1.768 20 0 EDADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366479516 446231433 /nfs/dbraw/zinc/23/14/33/446231433.db2.gz HEOLTJUPZPZACX-IAGOWNOFSA-N 2 1 343.471 1.739 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366479516 446231437 /nfs/dbraw/zinc/23/14/37/446231437.db2.gz HEOLTJUPZPZACX-IAGOWNOFSA-N 2 1 343.471 1.739 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366479516 446231441 /nfs/dbraw/zinc/23/14/41/446231441.db2.gz HEOLTJUPZPZACX-IAGOWNOFSA-N 2 1 343.471 1.739 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366479516 446231445 /nfs/dbraw/zinc/23/14/45/446231445.db2.gz HEOLTJUPZPZACX-IAGOWNOFSA-N 2 1 343.471 1.739 20 0 EDADMP C[C@H]1C[N@@H+](C[C@@](C)(O)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000373532413 446251486 /nfs/dbraw/zinc/25/14/86/446251486.db2.gz WSBDFCGCACPVIQ-FXAWDEMLSA-N 2 1 331.504 1.994 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000359502070 446262817 /nfs/dbraw/zinc/26/28/17/446262817.db2.gz DKONVHTUGNTURM-DLBZAZTESA-N 2 1 327.513 1.802 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC000362272485 446297196 /nfs/dbraw/zinc/29/71/96/446297196.db2.gz GAQGBPVFSUYHBS-NXHRZFHOSA-N 2 1 337.508 1.914 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC000362272485 446297200 /nfs/dbraw/zinc/29/72/00/446297200.db2.gz GAQGBPVFSUYHBS-NXHRZFHOSA-N 2 1 337.508 1.914 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C2CCN(C=O)CC2)[C@@H](c2ccccc2)C1 ZINC000365708469 446309597 /nfs/dbraw/zinc/30/95/97/446309597.db2.gz VGYDPNCXCDDFQH-LJQANCHMSA-N 2 1 330.476 1.186 20 0 EDADMP O=C(C[NH2+][C@@H](CO)c1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000359626719 446326132 /nfs/dbraw/zinc/32/61/32/446326132.db2.gz RHQSHNPDMGNDEU-KRWDZBQOSA-N 2 1 335.423 1.192 20 0 EDADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@@H]3CCCNC3=O)CC2)CC1 ZINC000362364168 446335678 /nfs/dbraw/zinc/33/56/78/446335678.db2.gz HABLHFBTIRKRCK-GOSISDBHSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)C2(N3CCN(C)CC3)CCCC2)CC[N@@H+]1C ZINC000365772423 446336599 /nfs/dbraw/zinc/33/65/99/446336599.db2.gz QWXXDKCHOPVOSM-DLBZAZTESA-N 2 1 336.524 1.488 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)C2(N3CCN(C)CC3)CCCC2)CC[N@H+]1C ZINC000365772423 446336600 /nfs/dbraw/zinc/33/66/00/446336600.db2.gz QWXXDKCHOPVOSM-DLBZAZTESA-N 2 1 336.524 1.488 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000417273035 446337410 /nfs/dbraw/zinc/33/74/10/446337410.db2.gz WEBWNSAYFPMJBA-GJZGRUSLSA-N 2 1 334.464 1.314 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000417273035 446337414 /nfs/dbraw/zinc/33/74/14/446337414.db2.gz WEBWNSAYFPMJBA-GJZGRUSLSA-N 2 1 334.464 1.314 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417436401 446352047 /nfs/dbraw/zinc/35/20/47/446352047.db2.gz DRUKFNKZQNZSDC-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@@H]1CCC[NH2+]1 ZINC000417509560 446358441 /nfs/dbraw/zinc/35/84/41/446358441.db2.gz VSJCWYYVEOFXEL-MSOLQXFVSA-N 2 1 330.476 1.602 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@H]1CCC[NH2+]1 ZINC000417509561 446358514 /nfs/dbraw/zinc/35/85/14/446358514.db2.gz VSJCWYYVEOFXEL-QZTJIDSGSA-N 2 1 330.476 1.602 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000365843496 446367477 /nfs/dbraw/zinc/36/74/77/446367477.db2.gz LOKKSQZYINUQFK-MRXNPFEDSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000365872003 446380938 /nfs/dbraw/zinc/38/09/38/446380938.db2.gz SWXFAGVWPFBBPP-LSDHHAIUSA-N 2 1 326.485 1.221 20 0 EDADMP CCNc1nc(N2CCC[N@@H+]3CCC[C@@H]3C2)nc(NC(C)(C)C)[nH+]1 ZINC000376228929 446390563 /nfs/dbraw/zinc/39/05/63/446390563.db2.gz MOCLOIDWYVCRQD-CYBMUJFWSA-N 2 1 333.484 1.610 20 0 EDADMP CCNc1nc(N2CCC[N@H+]3CCC[C@@H]3C2)nc(NC(C)(C)C)[nH+]1 ZINC000376228929 446390564 /nfs/dbraw/zinc/39/05/64/446390564.db2.gz MOCLOIDWYVCRQD-CYBMUJFWSA-N 2 1 333.484 1.610 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000417936832 446390930 /nfs/dbraw/zinc/39/09/30/446390930.db2.gz HUUHDMMOOSQIOU-SQNIBIBYSA-N 2 1 328.460 1.968 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC000365895565 446393046 /nfs/dbraw/zinc/39/30/46/446393046.db2.gz MGIJXAGTHSTBNF-JKIFEVAISA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC000365895565 446393049 /nfs/dbraw/zinc/39/30/49/446393049.db2.gz MGIJXAGTHSTBNF-JKIFEVAISA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC000365895565 446393053 /nfs/dbraw/zinc/39/30/53/446393053.db2.gz MGIJXAGTHSTBNF-JKIFEVAISA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC000365895565 446393058 /nfs/dbraw/zinc/39/30/58/446393058.db2.gz MGIJXAGTHSTBNF-JKIFEVAISA-N 2 1 329.460 1.112 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+]C[C@](C)(F)C2)[C@@H]1c1ccccc1 ZINC000417952249 446397130 /nfs/dbraw/zinc/39/71/30/446397130.db2.gz XXTBAHOJYFOGNB-BQFCYCMXSA-N 2 1 334.439 1.775 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CC[NH2+]C[C@](C)(F)C2)[C@@H]1c1ccccc1 ZINC000417952249 446397133 /nfs/dbraw/zinc/39/71/33/446397133.db2.gz XXTBAHOJYFOGNB-BQFCYCMXSA-N 2 1 334.439 1.775 20 0 EDADMP CN(C)C(=O)c1ccccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000418066697 446429970 /nfs/dbraw/zinc/42/99/70/446429970.db2.gz LVGXEKGVRWLLAP-UHFFFAOYSA-N 2 1 346.519 1.846 20 0 EDADMP C[N@@H+](CCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Cc1ccc(F)cc1 ZINC000376336222 446437321 /nfs/dbraw/zinc/43/73/21/446437321.db2.gz VBSWNZSXKVYNKS-MOPGFXCFSA-N 2 1 335.467 1.789 20 0 EDADMP [NH3+]CCC[C@@H](Nc1cc[nH+]c(N2CCOCC2)n1)c1ccccc1 ZINC000420267682 446440645 /nfs/dbraw/zinc/44/06/45/446440645.db2.gz DEOVYGKFSRXVEB-MRXNPFEDSA-N 2 1 327.432 2.205 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000418144076 446441814 /nfs/dbraw/zinc/44/18/14/446441814.db2.gz MXXROKOTSQDMHM-QRVBRYPASA-N 2 1 342.487 1.900 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000418128267 446442150 /nfs/dbraw/zinc/44/21/50/446442150.db2.gz APNDTBFBRFHTOR-MAUKXSAKSA-N 2 1 330.476 1.900 20 0 EDADMP COC[C@@]1(CNC(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000417972488 446404528 /nfs/dbraw/zinc/40/45/28/446404528.db2.gz BOBHVMHNCLUFNI-LPHOPBHVSA-N 2 1 348.491 1.575 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417982345 446406638 /nfs/dbraw/zinc/40/66/38/446406638.db2.gz AAQCONAKNDMWKI-AEFFLSMTSA-N 2 1 348.491 1.432 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000417988241 446409461 /nfs/dbraw/zinc/40/94/61/446409461.db2.gz ILOXBGAFTXERKZ-JCGIZDLHSA-N 2 1 346.475 1.193 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418011612 446415130 /nfs/dbraw/zinc/41/51/30/446415130.db2.gz LBZHBRLEWYQKGY-IMFGXOCKSA-N 2 1 342.487 1.902 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000420304653 446467619 /nfs/dbraw/zinc/46/76/19/446467619.db2.gz FHJVZKJPRPUBRG-SJORKVTESA-N 3 1 348.491 1.057 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000420304653 446467624 /nfs/dbraw/zinc/46/76/24/446467624.db2.gz FHJVZKJPRPUBRG-SJORKVTESA-N 3 1 348.491 1.057 20 0 EDADMP CC[C@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000370844658 446477352 /nfs/dbraw/zinc/47/73/52/446477352.db2.gz DJENMTWXINBHLV-APWZRJJASA-N 2 1 344.459 1.465 20 0 EDADMP CC[C@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000370844658 446477366 /nfs/dbraw/zinc/47/73/66/446477366.db2.gz DJENMTWXINBHLV-APWZRJJASA-N 2 1 344.459 1.465 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCN(Cc1ccccc1)S(C)(=O)=O ZINC000420320201 446484745 /nfs/dbraw/zinc/48/47/45/446484745.db2.gz PWDYBAVYWCKVMK-ZBFHGGJFSA-N 2 1 325.478 1.117 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCN(Cc1ccccc1)S(C)(=O)=O ZINC000420320201 446484739 /nfs/dbraw/zinc/48/47/39/446484739.db2.gz PWDYBAVYWCKVMK-ZBFHGGJFSA-N 2 1 325.478 1.117 20 0 EDADMP CC(C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)[NH3+] ZINC000423316620 446485861 /nfs/dbraw/zinc/48/58/61/446485861.db2.gz AGJPNMKHSRMSOW-CRAIPNDOSA-N 2 1 333.476 1.754 20 0 EDADMP O=C(NCCC[NH2+]C1CC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418293239 446487848 /nfs/dbraw/zinc/48/78/48/446487848.db2.gz ZVGNMXCHNOPWEQ-IBGZPJMESA-N 2 1 346.475 1.065 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1CC ZINC000423374658 446506555 /nfs/dbraw/zinc/50/65/55/446506555.db2.gz CPYFDENKKQRJOK-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337379 446507165 /nfs/dbraw/zinc/50/71/65/446507165.db2.gz WVDSOTAZUHITFA-KBPBESRZSA-N 2 1 335.423 1.840 20 0 EDADMP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337379 446507174 /nfs/dbraw/zinc/50/71/74/446507174.db2.gz WVDSOTAZUHITFA-KBPBESRZSA-N 2 1 335.423 1.840 20 0 EDADMP C[C@@H]([NH3+])c1ccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000423383932 446511310 /nfs/dbraw/zinc/51/13/10/446511310.db2.gz FRZQRLCMOYOGTE-RHSMWYFYSA-N 2 1 346.475 1.379 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C[C@H]1C ZINC000423384391 446511478 /nfs/dbraw/zinc/51/14/78/446511478.db2.gz QADDUPDUYVCBOE-PMPSAXMXSA-N 2 1 340.512 1.149 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000418354145 446512045 /nfs/dbraw/zinc/51/20/45/446512045.db2.gz WEAAKULYTMNNPN-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC(=O)NCc1ccccc1 ZINC000420341515 446512929 /nfs/dbraw/zinc/51/29/29/446512929.db2.gz ORPPWZPQBKJCGM-IRXDYDNUSA-N 2 1 344.459 1.334 20 0 EDADMP CC(C)(C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[C@H]([NH3+])c1ccccc1 ZINC000423388847 446513864 /nfs/dbraw/zinc/51/38/64/446513864.db2.gz JCVMELWFLHQVCP-HZPDHXFCSA-N 2 1 346.475 1.169 20 0 EDADMP CC[C@@H]1CN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC[N@H+]1C[C@H](C)O ZINC000418481410 446558983 /nfs/dbraw/zinc/55/89/83/446558983.db2.gz DKFRYFMEZMIOSL-HDMKZQKVSA-N 2 1 348.491 1.693 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]([NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418486077 446562685 /nfs/dbraw/zinc/56/26/85/446562685.db2.gz INRGSQXVSVLBGP-QAPCUYQASA-N 2 1 330.476 1.887 20 0 EDADMP CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CC1 ZINC000411395910 446518007 /nfs/dbraw/zinc/51/80/07/446518007.db2.gz WFXJYUYOHSTRIS-UHFFFAOYSA-N 2 1 346.475 1.549 20 0 EDADMP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420345860 446518598 /nfs/dbraw/zinc/51/85/98/446518598.db2.gz BRIXYNBCWHOKQL-INIZCTEOSA-N 2 1 344.503 1.902 20 0 EDADMP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420345860 446518600 /nfs/dbraw/zinc/51/86/00/446518600.db2.gz BRIXYNBCWHOKQL-INIZCTEOSA-N 2 1 344.503 1.902 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418376303 446519964 /nfs/dbraw/zinc/51/99/64/446519964.db2.gz IJEAHIFCQVBEBT-MJGOQNOKSA-N 2 1 328.460 1.656 20 0 EDADMP Cc1cc(-c2noc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)ccc1F ZINC000420347995 446523513 /nfs/dbraw/zinc/52/35/13/446523513.db2.gz IYJGHKPFRKMCKD-HNNXBMFYSA-N 2 1 345.422 1.664 20 0 EDADMP Cc1cc(-c2noc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)ccc1F ZINC000420347995 446523518 /nfs/dbraw/zinc/52/35/18/446523518.db2.gz IYJGHKPFRKMCKD-HNNXBMFYSA-N 2 1 345.422 1.664 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433008090 446525787 /nfs/dbraw/zinc/52/57/87/446525787.db2.gz NVOBQGFSMSWMGT-INIZCTEOSA-N 2 1 339.505 1.901 20 0 EDADMP CN(CCCOc1ccccc1)C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420353362 446533679 /nfs/dbraw/zinc/53/36/79/446533679.db2.gz BUAJUTGOSIGVNA-KRWDZBQOSA-N 2 1 333.476 1.892 20 0 EDADMP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000433135847 446535044 /nfs/dbraw/zinc/53/50/44/446535044.db2.gz KATACWFXMTWXAB-GOSISDBHSA-N 3 1 336.524 1.570 20 0 EDADMP [NH3+]C1CCN(CCCC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000433135847 446535049 /nfs/dbraw/zinc/53/50/49/446535049.db2.gz KATACWFXMTWXAB-GOSISDBHSA-N 2 1 336.524 1.570 20 0 EDADMP [NH3+]C1CCN(CCCC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000433135847 446535055 /nfs/dbraw/zinc/53/50/55/446535055.db2.gz KATACWFXMTWXAB-GOSISDBHSA-N 2 1 336.524 1.570 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418415576 446535629 /nfs/dbraw/zinc/53/56/29/446535629.db2.gz NWEYKSCWYIEABU-PKOBYXMFSA-N 2 1 348.491 1.296 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420391484 446567507 /nfs/dbraw/zinc/56/75/07/446567507.db2.gz IKFFRCKVKHXYBO-ZWKOTPCHSA-N 2 1 345.487 1.818 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420391484 446567512 /nfs/dbraw/zinc/56/75/12/446567512.db2.gz IKFFRCKVKHXYBO-ZWKOTPCHSA-N 2 1 345.487 1.818 20 0 EDADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423448007 446541961 /nfs/dbraw/zinc/54/19/61/446541961.db2.gz POQFRZPEJCWIOD-IHRRRGAJSA-N 2 1 341.477 1.094 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000433181278 446545250 /nfs/dbraw/zinc/54/52/50/446545250.db2.gz XMHYCESAKSYIIP-INIZCTEOSA-N 2 1 346.475 1.634 20 0 EDADMP O=C(NCC1C[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000423468514 446548905 /nfs/dbraw/zinc/54/89/05/446548905.db2.gz CBPWVWDFQYBGBE-HUUCEWRRSA-N 2 1 341.377 1.633 20 0 EDADMP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420371002 446549130 /nfs/dbraw/zinc/54/91/30/446549130.db2.gz WNRLGZGDNNUHEZ-HNNXBMFYSA-N 2 1 325.478 1.415 20 0 EDADMP CC(=O)N(C[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000420369794 446549622 /nfs/dbraw/zinc/54/96/22/446549622.db2.gz IZFBWBZGIMQDQF-UFYCRDLUSA-N 2 1 345.487 1.393 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1 ZINC000418457949 446550784 /nfs/dbraw/zinc/55/07/84/446550784.db2.gz HIONCPPKIQELTB-INIZCTEOSA-N 2 1 349.523 1.731 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CCCN(C)CC[NH+](C)C)cc1 ZINC000418457949 446550789 /nfs/dbraw/zinc/55/07/89/446550789.db2.gz HIONCPPKIQELTB-INIZCTEOSA-N 2 1 349.523 1.731 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000420376246 446553621 /nfs/dbraw/zinc/55/36/21/446553621.db2.gz QFHPRKXABZWRPJ-PMXSJFBMSA-N 2 1 343.515 1.866 20 0 EDADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423492557 446553993 /nfs/dbraw/zinc/55/39/93/446553993.db2.gz NQCADTRIKVVVCF-MSOLQXFVSA-N 2 1 329.448 1.686 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000420377607 446555260 /nfs/dbraw/zinc/55/52/60/446555260.db2.gz PVGRYHIBZVOVMI-HKUYNNGSSA-N 2 1 344.503 1.308 20 0 EDADMP CC[N@@H+](CC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1)C1CC1 ZINC000376526696 446555836 /nfs/dbraw/zinc/55/58/36/446555836.db2.gz AAOZGNQOIUEIGG-UHFFFAOYSA-N 2 1 333.480 1.290 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000418470077 446556984 /nfs/dbraw/zinc/55/69/84/446556984.db2.gz QJAXPRJDXDHKEU-OAHLLOKOSA-N 2 1 327.517 1.171 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000418470077 446556989 /nfs/dbraw/zinc/55/69/89/446556989.db2.gz QJAXPRJDXDHKEU-OAHLLOKOSA-N 2 1 327.517 1.171 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418613297 446615939 /nfs/dbraw/zinc/61/59/39/446615939.db2.gz JIOYOJBUQRZOPF-INIZCTEOSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC(F)(F)C[NH3+])C1 ZINC000418511889 446574652 /nfs/dbraw/zinc/57/46/52/446574652.db2.gz KHQJGRUBWJGQOS-KGLIPLIRSA-N 2 1 332.439 1.876 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC(F)(F)C[NH3+])C1 ZINC000418511889 446574658 /nfs/dbraw/zinc/57/46/58/446574658.db2.gz KHQJGRUBWJGQOS-KGLIPLIRSA-N 2 1 332.439 1.876 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000418517069 446576895 /nfs/dbraw/zinc/57/68/95/446576895.db2.gz CZQZLZFRXHMOTO-MRXNPFEDSA-N 2 1 333.480 1.187 20 0 EDADMP CC(C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433467582 446579342 /nfs/dbraw/zinc/57/93/42/446579342.db2.gz QYHZHRMNOTYMHS-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000418529255 446581793 /nfs/dbraw/zinc/58/17/93/446581793.db2.gz SYMOGHXICUUSAF-OIISXLGYSA-N 2 1 339.528 1.312 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)C[C@@H]1Cc1ccccc1 ZINC000418543295 446587007 /nfs/dbraw/zinc/58/70/07/446587007.db2.gz BASAETUBSOPCAA-MSOLQXFVSA-N 2 1 330.476 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)C[C@@H]1Cc1ccccc1 ZINC000418543295 446587013 /nfs/dbraw/zinc/58/70/13/446587013.db2.gz BASAETUBSOPCAA-MSOLQXFVSA-N 2 1 330.476 1.697 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000418578347 446601931 /nfs/dbraw/zinc/60/19/31/446601931.db2.gz VMARCONTZLDGLD-WMZOPIPTSA-N 2 1 330.476 1.963 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418587858 446603722 /nfs/dbraw/zinc/60/37/22/446603722.db2.gz RITOQPNCEXPJQN-AOIWGVFYSA-N 2 1 346.475 1.193 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc2)C1 ZINC000376693870 446656716 /nfs/dbraw/zinc/65/67/16/446656716.db2.gz CUZCATQZPBGZNO-KBXCAEBGSA-N 2 1 348.422 1.024 20 0 EDADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000368145129 446667898 /nfs/dbraw/zinc/66/78/98/446667898.db2.gz YPLJWJVOJSOKTN-IAGOWNOFSA-N 2 1 329.444 1.146 20 0 EDADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000368145129 446667902 /nfs/dbraw/zinc/66/79/02/446667902.db2.gz YPLJWJVOJSOKTN-IAGOWNOFSA-N 2 1 329.444 1.146 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000423738906 446670260 /nfs/dbraw/zinc/67/02/60/446670260.db2.gz FNYCDQADNLEJGX-PMPSAXMXSA-N 2 1 339.480 1.380 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)cn1 ZINC000423748205 446677643 /nfs/dbraw/zinc/67/76/43/446677643.db2.gz ARHPTZFKXSJRIT-SFHVURJKSA-N 2 1 341.459 1.197 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)cn1 ZINC000423748205 446677651 /nfs/dbraw/zinc/67/76/51/446677651.db2.gz ARHPTZFKXSJRIT-SFHVURJKSA-N 2 1 341.459 1.197 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000423745340 446674209 /nfs/dbraw/zinc/67/42/09/446674209.db2.gz MHABTPUSPZQYPY-JKSUJKDBSA-N 2 1 339.480 1.252 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCN2CCOCC2(C)C)C1 ZINC000371089788 446621454 /nfs/dbraw/zinc/62/14/54/446621454.db2.gz VBCSDMGUYSUGLR-KRWDZBQOSA-N 2 1 346.475 1.583 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCN2CCOCC2(C)C)C1 ZINC000371089788 446621463 /nfs/dbraw/zinc/62/14/63/446621463.db2.gz VBCSDMGUYSUGLR-KRWDZBQOSA-N 2 1 346.475 1.583 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000418632104 446623529 /nfs/dbraw/zinc/62/35/29/446623529.db2.gz YZFHHSSADMWSNA-IJEWVQPXSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000418632104 446623535 /nfs/dbraw/zinc/62/35/35/446623535.db2.gz YZFHHSSADMWSNA-IJEWVQPXSA-N 2 1 326.485 1.255 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418643422 446629141 /nfs/dbraw/zinc/62/91/41/446629141.db2.gz UODLPUOYCPCLSY-CRAIPNDOSA-N 2 1 330.476 1.857 20 0 EDADMP COC[C@@]1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CCC[NH2+]1 ZINC000418652234 446634946 /nfs/dbraw/zinc/63/49/46/446634946.db2.gz IITJQOXRIBQFNP-RYRKJORJSA-N 2 1 338.496 1.412 20 0 EDADMP C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435627374 446704146 /nfs/dbraw/zinc/70/41/46/446704146.db2.gz RBENMHRJAXWJNH-KRWDZBQOSA-N 2 1 345.491 1.194 20 0 EDADMP C[C@@H]1C[C@@H](N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000376797653 446724936 /nfs/dbraw/zinc/72/49/36/446724936.db2.gz YSLYTRKAXZWYET-OWCLPIDISA-N 2 1 349.500 1.664 20 0 EDADMP C[C@@H]1C[C@@H](N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000376797653 446724942 /nfs/dbraw/zinc/72/49/42/446724942.db2.gz YSLYTRKAXZWYET-OWCLPIDISA-N 2 1 349.500 1.664 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)c1ccccc1 ZINC000412051089 446814311 /nfs/dbraw/zinc/81/43/11/446814311.db2.gz VOYZNKAHEMEDRS-WJFTUGDTSA-N 2 1 345.487 1.498 20 0 EDADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371446350 446861022 /nfs/dbraw/zinc/86/10/22/446861022.db2.gz CUVVTJFHGFMZOH-CQSZACIVSA-N 2 1 332.448 1.418 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCO[C@@H]3CCCCO3)C2)CC1 ZINC000368439266 446862876 /nfs/dbraw/zinc/86/28/76/446862876.db2.gz SLWCBTZRGPMAHT-ZWKOTPCHSA-N 2 1 325.497 1.630 20 0 EDADMP NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420920815 446890407 /nfs/dbraw/zinc/89/04/07/446890407.db2.gz KEVMWLAAPVTWDI-ZWKOTPCHSA-N 2 1 331.460 1.653 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000371510055 446904370 /nfs/dbraw/zinc/90/43/70/446904370.db2.gz JKNLUFLANWTTDG-UHFFFAOYSA-N 2 1 333.480 1.090 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)Cc2ccccc2C1 ZINC000454541755 446906018 /nfs/dbraw/zinc/90/60/18/446906018.db2.gz GVXREQYXBHHPSA-ZWKOTPCHSA-N 2 1 342.487 1.431 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412268791 446918400 /nfs/dbraw/zinc/91/84/00/446918400.db2.gz KKNBGKYQUAFTGU-UHFFFAOYSA-N 2 1 333.476 1.717 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1OC ZINC000442751594 446950506 /nfs/dbraw/zinc/95/05/06/446950506.db2.gz CILHPXCFPTYBKV-KBPBESRZSA-N 2 1 335.448 1.331 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1OC ZINC000442751594 446950510 /nfs/dbraw/zinc/95/05/10/446950510.db2.gz CILHPXCFPTYBKV-KBPBESRZSA-N 2 1 335.448 1.331 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000442763994 446957415 /nfs/dbraw/zinc/95/74/15/446957415.db2.gz SRGATBGRMOPQNN-IRXDYDNUSA-N 2 1 330.476 1.313 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000442763994 446957417 /nfs/dbraw/zinc/95/74/17/446957417.db2.gz SRGATBGRMOPQNN-IRXDYDNUSA-N 2 1 330.476 1.313 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442767203 446959073 /nfs/dbraw/zinc/95/90/73/446959073.db2.gz YCYRFHHKZVUIOH-BRWVUGGUSA-N 2 1 330.476 1.393 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000442766551 446959477 /nfs/dbraw/zinc/95/94/77/446959477.db2.gz WWJUCWPRRVHACQ-IXDOHACOSA-N 2 1 330.476 1.298 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000442766551 446959483 /nfs/dbraw/zinc/95/94/83/446959483.db2.gz WWJUCWPRRVHACQ-IXDOHACOSA-N 2 1 330.476 1.298 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000368617195 446983813 /nfs/dbraw/zinc/98/38/13/446983813.db2.gz GSKAYBMGAZDCSJ-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)on1 ZINC000372097736 446998467 /nfs/dbraw/zinc/99/84/67/446998467.db2.gz CFDSFNBPBLAKPM-LSDHHAIUSA-N 2 1 334.464 1.923 20 0 EDADMP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443058012 447000116 /nfs/dbraw/zinc/00/01/16/447000116.db2.gz ISDLKHVCURNYEH-CQSZACIVSA-N 2 1 332.448 1.388 20 0 EDADMP C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000372464513 447066655 /nfs/dbraw/zinc/06/66/55/447066655.db2.gz QOEXJELXTYZTPB-MZZPOWALSA-N 2 1 337.508 1.756 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2 ZINC000368788427 447106711 /nfs/dbraw/zinc/10/67/11/447106711.db2.gz SAGGGNRAAFWADJ-UHFFFAOYSA-N 2 1 336.480 1.068 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000375889932 447125201 /nfs/dbraw/zinc/12/52/01/447125201.db2.gz LUMFEBIDGKAYOH-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375889751 447123506 /nfs/dbraw/zinc/12/35/06/447123506.db2.gz LBMCHGCVSJYYFO-DLBZAZTESA-N 2 1 338.540 1.780 20 0 EDADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000455231169 447092169 /nfs/dbraw/zinc/09/21/69/447092169.db2.gz QOKAQQISKAXEMH-QGZVFWFLSA-N 2 1 348.491 1.759 20 0 EDADMP CN1CC[NH+](CC2(C)CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)CC1 ZINC000368825449 447138098 /nfs/dbraw/zinc/13/80/98/447138098.db2.gz RYIAWUHVHHRQLJ-SFHVURJKSA-N 2 1 344.503 1.563 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000419394741 447148714 /nfs/dbraw/zinc/14/87/14/447148714.db2.gz AJJSTXOKUPATDV-JKSUJKDBSA-N 2 1 348.491 1.345 20 0 EDADMP C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](C)C[N@H+]1CCO ZINC000419403717 447154366 /nfs/dbraw/zinc/15/43/66/447154366.db2.gz QLYGAVAONWVCNT-CVEARBPZSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000368815021 447128428 /nfs/dbraw/zinc/12/84/28/447128428.db2.gz YHEKPQYZJGRHMS-MJQMVNBJSA-N 2 1 334.508 1.003 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419452367 447186816 /nfs/dbraw/zinc/18/68/16/447186816.db2.gz OZXWRFCQAZHOLX-OAGGEKHMSA-N 2 1 342.528 1.449 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000413451805 447189727 /nfs/dbraw/zinc/18/97/27/447189727.db2.gz MUVDCVZKGUXMGJ-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000413451805 447189730 /nfs/dbraw/zinc/18/97/30/447189730.db2.gz MUVDCVZKGUXMGJ-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000413451805 447189736 /nfs/dbraw/zinc/18/97/36/447189736.db2.gz MUVDCVZKGUXMGJ-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2C[C@@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000419458035 447192703 /nfs/dbraw/zinc/19/27/03/447192703.db2.gz YHUYRDQNERTWOK-IXDOHACOSA-N 2 1 340.512 1.203 20 0 EDADMP O=C(NCCc1cn2ccccc2n1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377579369 447218751 /nfs/dbraw/zinc/21/87/51/447218751.db2.gz CSMMODYJWDUBBF-HZPDHXFCSA-N 2 1 343.431 1.039 20 0 EDADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000421701513 447222451 /nfs/dbraw/zinc/22/24/51/447222451.db2.gz HZBVNCJRPMENGO-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000421701513 447222455 /nfs/dbraw/zinc/22/24/55/447222455.db2.gz HZBVNCJRPMENGO-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000421701513 447222461 /nfs/dbraw/zinc/22/24/61/447222461.db2.gz HZBVNCJRPMENGO-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000421701513 447222468 /nfs/dbraw/zinc/22/24/68/447222468.db2.gz HZBVNCJRPMENGO-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376047666 447234024 /nfs/dbraw/zinc/23/40/24/447234024.db2.gz VPQZYZLCXHOWEM-MRXNPFEDSA-N 2 1 348.495 2.098 20 0 EDADMP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000372716460 447242713 /nfs/dbraw/zinc/24/27/13/447242713.db2.gz OYQKJFCRLVBMJL-CVEARBPZSA-N 2 1 344.459 1.660 20 0 EDADMP CC(C)(CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)C[NH+]1CCCC1 ZINC000458686111 447452012 /nfs/dbraw/zinc/45/20/12/447452012.db2.gz ABOUNOGWNPWAJZ-INIZCTEOSA-N 2 1 340.512 1.254 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)c2C1 ZINC000415471237 447463205 /nfs/dbraw/zinc/46/32/05/447463205.db2.gz ZCADRZAZLKMCLY-XJKSGUPXSA-N 2 1 344.459 1.546 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)c2C1 ZINC000415471237 447463211 /nfs/dbraw/zinc/46/32/11/447463211.db2.gz ZCADRZAZLKMCLY-XJKSGUPXSA-N 2 1 344.459 1.546 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000389904123 447488567 /nfs/dbraw/zinc/48/85/67/447488567.db2.gz FYRJPYIIOPAUMX-DZGCQCFKSA-N 2 1 344.484 1.895 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCCC2)C[C@H]1C ZINC000458845292 447488759 /nfs/dbraw/zinc/48/87/59/447488759.db2.gz IYUJPIXGMYXFJQ-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCCC2)C[C@H]1C ZINC000458845292 447488763 /nfs/dbraw/zinc/48/87/63/447488763.db2.gz IYUJPIXGMYXFJQ-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc1 ZINC000415982085 447528603 /nfs/dbraw/zinc/52/86/03/447528603.db2.gz KNFDPVXWCDDLKN-RHSMWYFYSA-N 2 1 332.448 1.733 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000450589100 447532290 /nfs/dbraw/zinc/53/22/90/447532290.db2.gz KMXVHVNTDMMRHS-HNNXBMFYSA-N 2 1 339.480 1.203 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000450589100 447532293 /nfs/dbraw/zinc/53/22/93/447532293.db2.gz KMXVHVNTDMMRHS-HNNXBMFYSA-N 2 1 339.480 1.203 20 0 EDADMP CC1CC[NH+](CCCNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000457534861 447590755 /nfs/dbraw/zinc/59/07/55/447590755.db2.gz KHYGCNQKNRWPHR-CALCHBBNSA-N 2 1 340.512 1.205 20 0 EDADMP O[C@H]1C[N@H+](Cc2ccc(F)c(C[NH+]3C[C@@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000450756250 447565708 /nfs/dbraw/zinc/56/57/08/447565708.db2.gz GFSOXXFIQVEOOH-ZWKOTPCHSA-N 2 1 346.446 1.739 20 0 EDADMP O[C@H]1C[N@@H+](Cc2ccc(F)c(C[NH+]3C[C@@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000450756250 447565717 /nfs/dbraw/zinc/56/57/17/447565717.db2.gz GFSOXXFIQVEOOH-ZWKOTPCHSA-N 2 1 346.446 1.739 20 0 EDADMP O[C@H]1C[NH+](Cc2ccc(F)c(C[N@@H+]3C[C@@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000450756250 447565726 /nfs/dbraw/zinc/56/57/26/447565726.db2.gz GFSOXXFIQVEOOH-ZWKOTPCHSA-N 2 1 346.446 1.739 20 0 EDADMP O[C@H]1C[NH+](Cc2ccc(F)c(C[N@H+]3C[C@@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000450756250 447565731 /nfs/dbraw/zinc/56/57/31/447565731.db2.gz GFSOXXFIQVEOOH-ZWKOTPCHSA-N 2 1 346.446 1.739 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495911156 447638135 /nfs/dbraw/zinc/63/81/35/447638135.db2.gz KUPZJGCJEZCFHJ-KVSKMBFKSA-N 3 1 348.491 1.277 20 0 EDADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2CN2C[C@@]3(CN4CCC3CC4)OC2=O)C1 ZINC000495911156 447638140 /nfs/dbraw/zinc/63/81/40/447638140.db2.gz KUPZJGCJEZCFHJ-KVSKMBFKSA-N 3 1 348.491 1.277 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2CN2C[C@@]3(CN4CCC3CC4)OC2=O)C1 ZINC000495911156 447638146 /nfs/dbraw/zinc/63/81/46/447638146.db2.gz KUPZJGCJEZCFHJ-KVSKMBFKSA-N 3 1 348.491 1.277 20 0 EDADMP CC1CC[NH+](CCCNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000457547720 447594253 /nfs/dbraw/zinc/59/42/53/447594253.db2.gz YJYRHKGZLOHHJH-KRWDZBQOSA-N 2 1 340.512 1.254 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000459158182 447599490 /nfs/dbraw/zinc/59/94/90/447599490.db2.gz MWYBTHOBGLAJPA-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCCCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000459158182 447599494 /nfs/dbraw/zinc/59/94/94/447599494.db2.gz MWYBTHOBGLAJPA-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)NCCCC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000459158182 447599499 /nfs/dbraw/zinc/59/94/99/447599499.db2.gz MWYBTHOBGLAJPA-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)NCCCC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000459158182 447599504 /nfs/dbraw/zinc/59/95/04/447599504.db2.gz MWYBTHOBGLAJPA-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@H](C)O1 ZINC000459163407 447602518 /nfs/dbraw/zinc/60/25/18/447602518.db2.gz LABVKXVQYHFRPU-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459264389 447625960 /nfs/dbraw/zinc/62/59/60/447625960.db2.gz MYQUDWRUIOQKLP-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CCCN(C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000416870071 447699147 /nfs/dbraw/zinc/69/91/47/447699147.db2.gz NXBHSZXUBHOUAJ-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000416869404 447699241 /nfs/dbraw/zinc/69/92/41/447699241.db2.gz NGSGKAPENYHIGT-JKSUJKDBSA-N 2 1 326.485 1.175 20 0 EDADMP COc1cc2[nH+]c(NCC[C@@H]3CCC[NH2+]C3)nc(N)c2cc1OC ZINC000420186025 447660639 /nfs/dbraw/zinc/66/06/39/447660639.db2.gz CEMHQVCXTFPNCG-NSHDSACASA-N 2 1 331.420 1.453 20 0 EDADMP C[NH2+]CC1CCN(c2nc(N[C@@H]3CCCO[C@@H]3C(C)C)cc[nH+]2)CC1 ZINC000420187940 447661910 /nfs/dbraw/zinc/66/19/10/447661910.db2.gz MLGIHQXUDAFQPO-SJLPKXTDSA-N 2 1 347.507 2.528 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC(C)(C)CC[NH3+])c2)CCO1 ZINC000422602107 447665337 /nfs/dbraw/zinc/66/53/37/447665337.db2.gz ZPDWDQPVGCNLDJ-HNNXBMFYSA-N 2 1 348.491 1.834 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC(C)(C)CC[NH3+])c2)CCO1 ZINC000422602107 447665341 /nfs/dbraw/zinc/66/53/41/447665341.db2.gz ZPDWDQPVGCNLDJ-HNNXBMFYSA-N 2 1 348.491 1.834 20 0 EDADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cn(CC(N)=O)nn2)CC1 ZINC000459455878 447672479 /nfs/dbraw/zinc/67/24/79/447672479.db2.gz DNBLSEFQXKGABS-UHFFFAOYSA-N 2 1 336.484 1.097 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCC(C)CC1 ZINC000458048765 447708196 /nfs/dbraw/zinc/70/81/96/447708196.db2.gz OSISOZAZXKIDGT-DLBZAZTESA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@H]1C[NH3+] ZINC000422638869 447683380 /nfs/dbraw/zinc/68/33/80/447683380.db2.gz ROFGBEHMAFMGNN-JYYAWHABSA-N 2 1 331.460 1.932 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@H]1C[NH3+] ZINC000422638869 447683384 /nfs/dbraw/zinc/68/33/84/447683384.db2.gz ROFGBEHMAFMGNN-JYYAWHABSA-N 2 1 331.460 1.932 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCCN2CCc3ccccc32)C[C@H]1C[NH3+] ZINC000422641368 447684696 /nfs/dbraw/zinc/68/46/96/447684696.db2.gz XWMDMVMYMYHEPQ-SOLBZPMBSA-N 2 1 344.503 1.471 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCCN2CCc3ccccc32)C[C@H]1C[NH3+] ZINC000422641368 447684701 /nfs/dbraw/zinc/68/47/01/447684701.db2.gz XWMDMVMYMYHEPQ-SOLBZPMBSA-N 2 1 344.503 1.471 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000422641678 447685266 /nfs/dbraw/zinc/68/52/66/447685266.db2.gz YJAPYVYLQDFAFP-IHRRRGAJSA-N 2 1 348.447 1.649 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000422641678 447685271 /nfs/dbraw/zinc/68/52/71/447685271.db2.gz YJAPYVYLQDFAFP-IHRRRGAJSA-N 2 1 348.447 1.649 20 0 EDADMP CC(C)[NH+](CCNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C(C)C ZINC000416809038 447689798 /nfs/dbraw/zinc/68/97/98/447689798.db2.gz PQMRHVOTSNOBBR-KRWDZBQOSA-N 2 1 333.480 1.856 20 0 EDADMP CC(C)[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[NH+]1CCOCC1 ZINC000416935306 447715034 /nfs/dbraw/zinc/71/50/34/447715034.db2.gz GDBFUDOXUCKXBW-YJBOKZPZSA-N 2 1 348.491 1.862 20 0 EDADMP CCCN(C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000416934707 447715239 /nfs/dbraw/zinc/71/52/39/447715239.db2.gz DZBPNOVAGUSUBZ-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496123673 447716542 /nfs/dbraw/zinc/71/65/42/447716542.db2.gz OHHVYODBOBDENZ-CQSZACIVSA-N 2 1 341.500 1.603 20 0 EDADMP C[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422710296 447722783 /nfs/dbraw/zinc/72/27/83/447722783.db2.gz LLVLMXJDNIWJQD-KSSFIOAISA-N 2 1 331.460 1.617 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422707828 447723387 /nfs/dbraw/zinc/72/33/87/447723387.db2.gz HXVZZJWSKUTTBY-KDOFPFPSSA-N 2 1 331.460 1.474 20 0 EDADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)C2)cc1 ZINC000422714739 447725785 /nfs/dbraw/zinc/72/57/85/447725785.db2.gz LKTVEVJDEAWHFE-HMXCVIKNSA-N 2 1 343.515 1.908 20 0 EDADMP c1ccc(CC[N@@H+]2CC[C@H](CN[C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422714739 447725788 /nfs/dbraw/zinc/72/57/88/447725788.db2.gz LKTVEVJDEAWHFE-HMXCVIKNSA-N 2 1 343.515 1.908 20 0 EDADMP c1ccc(CC[N@H+]2CC[C@H](CN[C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422714739 447725792 /nfs/dbraw/zinc/72/57/92/447725792.db2.gz LKTVEVJDEAWHFE-HMXCVIKNSA-N 2 1 343.515 1.908 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422738996 447733700 /nfs/dbraw/zinc/73/37/00/447733700.db2.gz KPWVZSJPZLFBKR-QYZOEREBSA-N 2 1 344.503 1.657 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000417104033 447735057 /nfs/dbraw/zinc/73/50/57/447735057.db2.gz DTIDMIDIRALXSI-UMVBOHGHSA-N 2 1 336.505 1.792 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000417104033 447735061 /nfs/dbraw/zinc/73/50/61/447735061.db2.gz DTIDMIDIRALXSI-UMVBOHGHSA-N 2 1 336.505 1.792 20 0 EDADMP COc1ccc([C@H](NCCCN2CC[NH+](C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422795088 447752471 /nfs/dbraw/zinc/75/24/71/447752471.db2.gz ZRGNEGRJHGKKLA-PMACEKPBSA-N 2 1 346.519 1.715 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000422841312 447766726 /nfs/dbraw/zinc/76/67/26/447766726.db2.gz VRZPROHSOKSNAF-WCXIOVBPSA-N 2 1 325.497 1.770 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1C[NH2+]C1 ZINC000422960182 447781310 /nfs/dbraw/zinc/78/13/10/447781310.db2.gz VNCWEUKXCRZLKI-ZDUSSCGKSA-N 2 1 336.867 1.186 20 0 EDADMP [NH3+]CC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000422980967 447787010 /nfs/dbraw/zinc/78/70/10/447787010.db2.gz RNMSHCFAMPERQH-XUUQEUKMSA-N 3 1 331.504 1.977 20 0 EDADMP [NH3+]CC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000422980967 447787013 /nfs/dbraw/zinc/78/70/13/447787013.db2.gz RNMSHCFAMPERQH-XUUQEUKMSA-N 3 1 331.504 1.977 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430930404 447788213 /nfs/dbraw/zinc/78/82/13/447788213.db2.gz ALIWYTQAWUZGMA-FUHWJXTLSA-N 3 1 344.503 1.436 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430930404 447788216 /nfs/dbraw/zinc/78/82/16/447788216.db2.gz ALIWYTQAWUZGMA-FUHWJXTLSA-N 3 1 344.503 1.436 20 0 EDADMP C[C@H](CNC(=O)NCCOCC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000471633273 447805464 /nfs/dbraw/zinc/80/54/64/447805464.db2.gz APVWBVNNCIRPAG-MRXNPFEDSA-N 2 1 348.491 1.311 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000523813334 447909473 /nfs/dbraw/zinc/90/94/73/447909473.db2.gz QBMKNGFHRNUTDJ-IAGOWNOFSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000523813334 447909479 /nfs/dbraw/zinc/90/94/79/447909479.db2.gz QBMKNGFHRNUTDJ-IAGOWNOFSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000523813334 447909485 /nfs/dbraw/zinc/90/94/85/447909485.db2.gz QBMKNGFHRNUTDJ-IAGOWNOFSA-N 2 1 340.512 1.373 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000576051915 447961077 /nfs/dbraw/zinc/96/10/77/447961077.db2.gz VXDHDHRQPSECSN-MRXNPFEDSA-N 2 1 341.521 1.042 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COCc2cccs2)CCCO1 ZINC000569920980 447917339 /nfs/dbraw/zinc/91/73/39/447917339.db2.gz OFIFVHQYWYQPFO-JKSUJKDBSA-N 2 1 342.505 1.716 20 0 EDADMP CC[C@@H](C(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1)[N@@H+](C)Cc1ccccc1 ZINC000570395879 448003051 /nfs/dbraw/zinc/00/30/51/448003051.db2.gz ALDGVRKSYVKWGO-IRXDYDNUSA-N 2 1 341.459 2.267 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531056126 448010991 /nfs/dbraw/zinc/01/09/91/448010991.db2.gz MSLYRHULMBNYKZ-IBGZPJMESA-N 2 1 333.476 1.472 20 0 EDADMP CCCC[NH+](C)CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531056126 448010999 /nfs/dbraw/zinc/01/09/99/448010999.db2.gz MSLYRHULMBNYKZ-IBGZPJMESA-N 2 1 333.476 1.472 20 0 EDADMP CCCC[NH+](C)CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531056126 448011006 /nfs/dbraw/zinc/01/10/06/448011006.db2.gz MSLYRHULMBNYKZ-IBGZPJMESA-N 2 1 333.476 1.472 20 0 EDADMP [NH3+][C@H](CC(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000570265277 447971458 /nfs/dbraw/zinc/97/14/58/447971458.db2.gz QOXMKSPSZXKHHK-DAWZGUTISA-N 2 1 330.476 1.409 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000576409733 448049032 /nfs/dbraw/zinc/04/90/32/448049032.db2.gz AMAJQRYFAPCTME-SJORKVTESA-N 2 1 336.524 1.203 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000531298316 448058309 /nfs/dbraw/zinc/05/83/09/448058309.db2.gz JOWGMQLHGXHSMK-IMFGXOCKSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000531298316 448058316 /nfs/dbraw/zinc/05/83/16/448058316.db2.gz JOWGMQLHGXHSMK-IMFGXOCKSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000531298316 448058323 /nfs/dbraw/zinc/05/83/23/448058323.db2.gz JOWGMQLHGXHSMK-IMFGXOCKSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000571078032 448106930 /nfs/dbraw/zinc/10/69/30/448106930.db2.gz CGQDARRPMMUSLR-IIDMSEBBSA-N 2 1 331.460 1.522 20 0 EDADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000571078032 448106932 /nfs/dbraw/zinc/10/69/32/448106932.db2.gz CGQDARRPMMUSLR-IIDMSEBBSA-N 2 1 331.460 1.522 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000532282266 448226257 /nfs/dbraw/zinc/22/62/57/448226257.db2.gz JGHRSSJUICAZGS-OIISXLGYSA-N 2 1 338.496 1.100 20 0 EDADMP CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000514932927 448227666 /nfs/dbraw/zinc/22/76/66/448227666.db2.gz NRLBUZVISCYQKH-KSSFIOAISA-N 2 1 332.444 1.869 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000515143220 448264863 /nfs/dbraw/zinc/26/48/63/448264863.db2.gz SFDQFTYGBCUWIN-HIFRSBDPSA-N 2 1 340.418 1.803 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)N(C)CCC[NH3+])cc1 ZINC000515435040 448313444 /nfs/dbraw/zinc/31/34/44/448313444.db2.gz UOJQSLBYOJPADS-CYBMUJFWSA-N 2 1 343.431 1.165 20 0 EDADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577384570 448283863 /nfs/dbraw/zinc/28/38/63/448283863.db2.gz CFMRRSRYQYBCBB-RTBURBONSA-N 2 1 347.503 1.982 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000582791488 448341922 /nfs/dbraw/zinc/34/19/22/448341922.db2.gz YZYIRCOSWVFYTG-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP CC(C)[NH+]1CCC(N2CC[NH+](CCOC[C@H]3CCCO3)CC2)CC1 ZINC000533078179 448353615 /nfs/dbraw/zinc/35/36/15/448353615.db2.gz BAODABTWUGBNRN-LJQANCHMSA-N 2 1 339.524 1.672 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)C1 ZINC000527768067 448357261 /nfs/dbraw/zinc/35/72/61/448357261.db2.gz DLOVZWXBSZTNOE-DOTOQJQBSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527768067 448357267 /nfs/dbraw/zinc/35/72/67/448357267.db2.gz DLOVZWXBSZTNOE-DOTOQJQBSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527768067 448357274 /nfs/dbraw/zinc/35/72/74/448357274.db2.gz DLOVZWXBSZTNOE-DOTOQJQBSA-N 2 1 338.496 1.413 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000577964232 448427857 /nfs/dbraw/zinc/42/78/57/448427857.db2.gz DCHZZLQMYSTNKH-MSOLQXFVSA-N 2 1 330.476 1.697 20 0 EDADMP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc[nH+]c2ccccc12 ZINC000528129700 448438892 /nfs/dbraw/zinc/43/88/92/448438892.db2.gz GNSQOEZOSHKQSR-IBGZPJMESA-N 2 1 327.428 1.684 20 0 EDADMP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc[nH+]c2ccccc12 ZINC000528129700 448438898 /nfs/dbraw/zinc/43/88/98/448438898.db2.gz GNSQOEZOSHKQSR-IBGZPJMESA-N 2 1 327.428 1.684 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1CC(C)(C)O ZINC000566448824 448476321 /nfs/dbraw/zinc/47/63/21/448476321.db2.gz DUTAXVDEJYVFBO-INIZCTEOSA-N 2 1 347.503 1.708 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000578210867 448486945 /nfs/dbraw/zinc/48/69/45/448486945.db2.gz GNFBETHXOBIHPL-WMZOPIPTSA-N 2 1 338.496 1.149 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000578210867 448486949 /nfs/dbraw/zinc/48/69/49/448486949.db2.gz GNFBETHXOBIHPL-WMZOPIPTSA-N 2 1 338.496 1.149 20 0 EDADMP C[C@H](CC(=O)NC1CCN(c2[nH+]ccn2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000566618773 448521568 /nfs/dbraw/zinc/52/15/68/448521568.db2.gz FNOWVPXBXFWTLH-CABCVRRESA-N 2 1 333.480 1.531 20 0 EDADMP CC[C@@H](CNC(=O)N[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000573222819 448575820 /nfs/dbraw/zinc/57/58/20/448575820.db2.gz JSWFVEXQZDRHSX-ROUUACIJSA-N 2 1 330.476 1.875 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@H]1[NH+]1CCOCC1 ZINC000517137716 448542762 /nfs/dbraw/zinc/54/27/62/448542762.db2.gz NZWGCGBNFLSDFS-ATZDWAIDSA-N 2 1 343.471 1.443 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000566922595 448587048 /nfs/dbraw/zinc/58/70/48/448587048.db2.gz TYEVIVLDVXXSLJ-MRXNPFEDSA-N 2 1 349.475 1.658 20 0 EDADMP CCN(C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000566922595 448587052 /nfs/dbraw/zinc/58/70/52/448587052.db2.gz TYEVIVLDVXXSLJ-MRXNPFEDSA-N 2 1 349.475 1.658 20 0 EDADMP CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000578642560 448602757 /nfs/dbraw/zinc/60/27/57/448602757.db2.gz QOANNGOWCFEVMD-KDOFPFPSSA-N 2 1 332.444 1.869 20 0 EDADMP Cc1noc(C23CC(C2)C[N@H+]3CCCN2CC[NH+](C(C)C)CC2)n1 ZINC000528615731 448603430 /nfs/dbraw/zinc/60/34/30/448603430.db2.gz BUNYGFJKHGSNST-UHFFFAOYSA-N 2 1 333.480 1.715 20 0 EDADMP Cc1noc(C23CC(C2)C[N@@H+]3CCCN2CC[NH+](C(C)C)CC2)n1 ZINC000528615731 448603433 /nfs/dbraw/zinc/60/34/33/448603433.db2.gz BUNYGFJKHGSNST-UHFFFAOYSA-N 2 1 333.480 1.715 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC000517922704 448630186 /nfs/dbraw/zinc/63/01/86/448630186.db2.gz PZPOOOWVCUQXEP-OAHLLOKOSA-N 2 1 326.412 1.266 20 0 EDADMP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[NH+]1CCCC1 ZINC000518459885 448680549 /nfs/dbraw/zinc/68/05/49/448680549.db2.gz DDWBPPYXSDGVRW-ZDUSSCGKSA-N 2 1 330.432 1.171 20 0 EDADMP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[NH+]1CCCC1 ZINC000518459885 448680550 /nfs/dbraw/zinc/68/05/50/448680550.db2.gz DDWBPPYXSDGVRW-ZDUSSCGKSA-N 2 1 330.432 1.171 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2N[C@@H]2CCC[NH2+]CC2)C1 ZINC000518491538 448684044 /nfs/dbraw/zinc/68/40/44/448684044.db2.gz NXNIRDNRSYUOBE-DLBZAZTESA-N 2 1 330.476 1.938 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000567811617 448765315 /nfs/dbraw/zinc/76/53/15/448765315.db2.gz YQPFWBLTWJNZKY-LMMKCTJWSA-N 2 1 346.519 1.933 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000567811857 448765949 /nfs/dbraw/zinc/76/59/49/448765949.db2.gz SXOLULSRSGIKNZ-ONIAQPFYSA-N 2 1 331.460 1.390 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000567811857 448765953 /nfs/dbraw/zinc/76/59/53/448765953.db2.gz SXOLULSRSGIKNZ-ONIAQPFYSA-N 2 1 331.460 1.390 20 0 EDADMP C[C@@H](Cc1cnc[nH]1)C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000579139287 448725962 /nfs/dbraw/zinc/72/59/62/448725962.db2.gz CIPDTSLOKLHMKD-HNNXBMFYSA-N 2 1 342.443 1.737 20 0 EDADMP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000579211939 448740358 /nfs/dbraw/zinc/74/03/58/448740358.db2.gz BPMFTVBQLMYXKV-IAGOWNOFSA-N 2 1 342.443 1.014 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000567750505 448751314 /nfs/dbraw/zinc/75/13/14/448751314.db2.gz ZVCFVVFFKHZTOC-MSOLQXFVSA-N 2 1 333.476 1.940 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000579493375 448809730 /nfs/dbraw/zinc/80/97/30/448809730.db2.gz HIMPUOASKWDCNS-OALUTQOASA-N 2 1 345.487 1.472 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579493375 448809734 /nfs/dbraw/zinc/80/97/34/448809734.db2.gz HIMPUOASKWDCNS-OALUTQOASA-N 2 1 345.487 1.472 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579493375 448809738 /nfs/dbraw/zinc/80/97/38/448809738.db2.gz HIMPUOASKWDCNS-OALUTQOASA-N 2 1 345.487 1.472 20 0 EDADMP C[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568058052 448809761 /nfs/dbraw/zinc/80/97/61/448809761.db2.gz RPKFUBXDQQMIAX-KBAYOESNSA-N 2 1 346.475 1.409 20 0 EDADMP C[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568058052 448809769 /nfs/dbraw/zinc/80/97/69/448809769.db2.gz RPKFUBXDQQMIAX-KBAYOESNSA-N 2 1 346.475 1.409 20 0 EDADMP CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000579687419 448853160 /nfs/dbraw/zinc/85/31/60/448853160.db2.gz IZIHJGPIXZUPRA-HZPDHXFCSA-N 2 1 333.480 1.627 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4F)o3)CCN2C1=O ZINC000579732845 448868475 /nfs/dbraw/zinc/86/84/75/448868475.db2.gz DSKDZMMAWFLFPF-MLGOLLRUSA-N 2 1 329.375 1.830 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4F)o3)CCN2C1=O ZINC000579732845 448868483 /nfs/dbraw/zinc/86/84/83/448868483.db2.gz DSKDZMMAWFLFPF-MLGOLLRUSA-N 2 1 329.375 1.830 20 0 EDADMP CC[C@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000574548839 448900860 /nfs/dbraw/zinc/90/08/60/448900860.db2.gz MWWAQWPEBOOJNQ-BZSNNMDCSA-N 2 1 346.475 1.409 20 0 EDADMP CC[C@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000574548839 448900865 /nfs/dbraw/zinc/90/08/65/448900865.db2.gz MWWAQWPEBOOJNQ-BZSNNMDCSA-N 2 1 346.475 1.409 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)Nc3cc(C)nn3C)CC2)CC1 ZINC000579942695 448914366 /nfs/dbraw/zinc/91/43/66/448914366.db2.gz MNVOMZUUBKSCMH-UHFFFAOYSA-N 2 1 348.495 1.752 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3cc(C)nn3C)CC2)CC1 ZINC000579942695 448914369 /nfs/dbraw/zinc/91/43/69/448914369.db2.gz MNVOMZUUBKSCMH-UHFFFAOYSA-N 2 1 348.495 1.752 20 0 EDADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000520407612 448893699 /nfs/dbraw/zinc/89/36/99/448893699.db2.gz JYGITHUTQFKEOP-HUUCEWRRSA-N 2 1 342.867 1.434 20 0 EDADMP O=C(NCCC1=CC[NH2+]CC1)NCC[N@@H+]1CCc2sccc2C1 ZINC000574784885 448956923 /nfs/dbraw/zinc/95/69/23/448956923.db2.gz AWGNDCKBWRGWES-UHFFFAOYSA-N 2 1 334.489 1.715 20 0 EDADMP O=C(NCCC1=CC[NH2+]CC1)NCC[N@H+]1CCc2sccc2C1 ZINC000574784885 448956931 /nfs/dbraw/zinc/95/69/31/448956931.db2.gz AWGNDCKBWRGWES-UHFFFAOYSA-N 2 1 334.489 1.715 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000569137571 448969229 /nfs/dbraw/zinc/96/92/29/448969229.db2.gz FGVKBQPORVXPFT-UHFFFAOYSA-N 2 1 337.468 1.016 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000575000762 449011153 /nfs/dbraw/zinc/01/11/53/449011153.db2.gz MYBFGHNDMFFVDB-IRXDYDNUSA-N 2 1 339.524 1.972 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000575000762 449011155 /nfs/dbraw/zinc/01/11/55/449011155.db2.gz MYBFGHNDMFFVDB-IRXDYDNUSA-N 2 1 339.524 1.972 20 0 EDADMP C[N@@H+](C[C@H](O)CNCC1([NH+]2CCSCC2)CCCCC1)C1CC1 ZINC000582355214 449072339 /nfs/dbraw/zinc/07/23/39/449072339.db2.gz AQEAUKMMOXPFKS-QGZVFWFLSA-N 2 1 341.565 1.783 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592958179 449080404 /nfs/dbraw/zinc/08/04/04/449080404.db2.gz VFNQGGQTQQICNR-RBSFLKMASA-N 2 1 333.480 1.569 20 0 EDADMP Cc1cnccc1C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000530224919 449085433 /nfs/dbraw/zinc/08/54/33/449085433.db2.gz NFZTZPNKRLYWPV-IRXDYDNUSA-N 2 1 329.448 1.110 20 0 EDADMP NC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241967 449092139 /nfs/dbraw/zinc/09/21/39/449092139.db2.gz SAQGJHCFTYNACI-IAGOWNOFSA-N 2 1 335.423 1.443 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900398 449241208 /nfs/dbraw/zinc/24/12/08/449241208.db2.gz FDUGLMCEOYJWHP-ZFWWWQNUSA-N 2 1 338.496 1.711 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000595945319 449271570 /nfs/dbraw/zinc/27/15/70/449271570.db2.gz LHQKAPJMZNLIPP-IRXDYDNUSA-N 2 1 335.517 1.842 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606702686 449512857 /nfs/dbraw/zinc/51/28/57/449512857.db2.gz CIYAUCUXANZDSA-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NC(=O)Nc1ccc(C)c(C)c1 ZINC000600731559 449522365 /nfs/dbraw/zinc/52/23/65/449522365.db2.gz TYJGACOWUJRSIK-UHFFFAOYSA-N 2 1 336.436 1.119 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NC(=O)Nc1ccc(C)c(C)c1 ZINC000600731559 449522368 /nfs/dbraw/zinc/52/23/68/449522368.db2.gz TYJGACOWUJRSIK-UHFFFAOYSA-N 2 1 336.436 1.119 20 0 EDADMP CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594612331 449593273 /nfs/dbraw/zinc/59/32/73/449593273.db2.gz LZMVTWIIBDIGPD-MAUKXSAKSA-N 2 1 342.480 1.312 20 0 EDADMP COC(=O)[C@@](C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000594614876 449595421 /nfs/dbraw/zinc/59/54/21/449595421.db2.gz PUIJIPWZXDOHAH-QUCCMNQESA-N 2 1 346.471 1.960 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602471483 449618432 /nfs/dbraw/zinc/61/84/32/449618432.db2.gz NHDCUSUIPKFDJF-NPMXOYFQSA-N 2 1 343.537 1.258 20 0 EDADMP Cc1ncc(Cl)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000617505729 449653963 /nfs/dbraw/zinc/65/39/63/449653963.db2.gz NTVXCNKCCOKNPE-NSHDSACASA-N 2 1 327.860 1.440 20 0 EDADMP Cc1ncc(Cl)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617505729 449653969 /nfs/dbraw/zinc/65/39/69/449653969.db2.gz NTVXCNKCCOKNPE-NSHDSACASA-N 2 1 327.860 1.440 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC000617507775 449658856 /nfs/dbraw/zinc/65/88/56/449658856.db2.gz IWYSEONPENIWHY-JTQLQIEISA-N 2 1 335.374 1.430 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC000617507775 449658860 /nfs/dbraw/zinc/65/88/60/449658860.db2.gz IWYSEONPENIWHY-JTQLQIEISA-N 2 1 335.374 1.430 20 0 EDADMP CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000617551370 449682593 /nfs/dbraw/zinc/68/25/93/449682593.db2.gz PZEFUNXPSUFVBK-HZPDHXFCSA-N 2 1 325.522 1.757 20 0 EDADMP COC(=O)CC1CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000599026203 449703300 /nfs/dbraw/zinc/70/33/00/449703300.db2.gz CUPJUTVLYKFBRV-JCYILVPMSA-N 2 1 326.481 1.935 20 0 EDADMP C[C@@]1(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]C1 ZINC000612874941 449921398 /nfs/dbraw/zinc/92/13/98/449921398.db2.gz IAVBHSZDCVUHMV-PKOBYXMFSA-N 2 1 330.476 1.602 20 0 EDADMP Cc1ccc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)c(N2CCCC2)[nH+]1 ZINC000612979331 449968479 /nfs/dbraw/zinc/96/84/79/449968479.db2.gz DZHZJASHOPCMNE-INIZCTEOSA-N 2 1 343.475 1.932 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc4ccccc4n3)C2)CC1 ZINC000595311524 450024122 /nfs/dbraw/zinc/02/41/22/450024122.db2.gz HLRGNXPGMJFDPI-QGZVFWFLSA-N 2 1 325.460 1.842 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)N1CC(CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000615273469 450038398 /nfs/dbraw/zinc/03/83/98/450038398.db2.gz SJZNDINIKUGLDW-IBGZPJMESA-N 2 1 344.503 1.385 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000603735463 450345306 /nfs/dbraw/zinc/34/53/06/450345306.db2.gz CECOTIFNEORDPV-QZTJIDSGSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000603735463 450345309 /nfs/dbraw/zinc/34/53/09/450345309.db2.gz CECOTIFNEORDPV-QZTJIDSGSA-N 2 1 336.524 1.347 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620473807 450495305 /nfs/dbraw/zinc/49/53/05/450495305.db2.gz ABOTVCAYKZOUBQ-GDBMZVCRSA-N 2 1 334.464 1.454 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620473807 450495308 /nfs/dbraw/zinc/49/53/08/450495308.db2.gz ABOTVCAYKZOUBQ-GDBMZVCRSA-N 2 1 334.464 1.454 20 0 EDADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620478905 450498151 /nfs/dbraw/zinc/49/81/51/450498151.db2.gz JYQSTJDBTKGRSR-MOPGFXCFSA-N 2 1 349.519 1.841 20 0 EDADMP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000620478905 450498152 /nfs/dbraw/zinc/49/81/52/450498152.db2.gz JYQSTJDBTKGRSR-MOPGFXCFSA-N 2 1 349.519 1.841 20 0 EDADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000620478905 450498156 /nfs/dbraw/zinc/49/81/56/450498156.db2.gz JYQSTJDBTKGRSR-MOPGFXCFSA-N 2 1 349.519 1.841 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC1(C)COC1 ZINC000625790455 450508518 /nfs/dbraw/zinc/50/85/18/450508518.db2.gz AJDNONMEAVBFJM-AEFFLSMTSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC1(C)COC1 ZINC000625790455 450508519 /nfs/dbraw/zinc/50/85/19/450508519.db2.gz AJDNONMEAVBFJM-AEFFLSMTSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC1(C)COC1 ZINC000625790455 450508522 /nfs/dbraw/zinc/50/85/22/450508522.db2.gz AJDNONMEAVBFJM-AEFFLSMTSA-N 2 1 345.487 1.734 20 0 EDADMP CN(CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)S(=O)(=O)c1cccs1 ZINC000623467711 450526581 /nfs/dbraw/zinc/52/65/81/450526581.db2.gz UQJZSROSFULQIV-CYBMUJFWSA-N 2 1 345.534 1.831 20 0 EDADMP CC[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[NH+](C)C ZINC000620722681 450532864 /nfs/dbraw/zinc/53/28/64/450532864.db2.gz HGNLCRZZGRZPEP-ROUUACIJSA-N 2 1 332.492 1.259 20 0 EDADMP CC[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[NH+](C)C ZINC000620722681 450532866 /nfs/dbraw/zinc/53/28/66/450532866.db2.gz HGNLCRZZGRZPEP-ROUUACIJSA-N 2 1 332.492 1.259 20 0 EDADMP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000623718753 450571451 /nfs/dbraw/zinc/57/14/51/450571451.db2.gz YZAHZTKNFJEAFB-UHFFFAOYSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nnc(C(C)(C)C)o1 ZINC000631443263 450593843 /nfs/dbraw/zinc/59/38/43/450593843.db2.gz MZPHQCKHECCKAT-LBPRGKRZSA-N 2 1 325.457 1.369 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nnc(C(C)(C)C)o1 ZINC000631443263 450593848 /nfs/dbraw/zinc/59/38/48/450593848.db2.gz MZPHQCKHECCKAT-LBPRGKRZSA-N 2 1 325.457 1.369 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1nc(N)[nH+]c(N)n1 ZINC000623862307 450618284 /nfs/dbraw/zinc/61/82/84/450618284.db2.gz QSGBYEWFWUMAPA-GFCCVEGCSA-N 2 1 327.436 1.105 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1nc(N)nc(N)[nH+]1 ZINC000623862307 450618286 /nfs/dbraw/zinc/61/82/86/450618286.db2.gz QSGBYEWFWUMAPA-GFCCVEGCSA-N 2 1 327.436 1.105 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1nc(N)nc(N)[nH+]1 ZINC000623862307 450618291 /nfs/dbraw/zinc/61/82/91/450618291.db2.gz QSGBYEWFWUMAPA-GFCCVEGCSA-N 2 1 327.436 1.105 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000626206823 450625278 /nfs/dbraw/zinc/62/52/78/450625278.db2.gz YJDMAGKQCITRFN-SPUZQDLCSA-N 2 1 331.460 1.167 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000626206823 450625281 /nfs/dbraw/zinc/62/52/81/450625281.db2.gz YJDMAGKQCITRFN-SPUZQDLCSA-N 2 1 331.460 1.167 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000626206823 450625285 /nfs/dbraw/zinc/62/52/85/450625285.db2.gz YJDMAGKQCITRFN-SPUZQDLCSA-N 2 1 331.460 1.167 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000626206823 450625287 /nfs/dbraw/zinc/62/52/87/450625287.db2.gz YJDMAGKQCITRFN-SPUZQDLCSA-N 2 1 331.460 1.167 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](CCS(=O)(=O)NC)CC1)CC1CC1 ZINC000621272089 450647247 /nfs/dbraw/zinc/64/72/47/450647247.db2.gz CBJLLCBQNROTFR-UHFFFAOYSA-N 2 1 331.526 1.370 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627332590 450654456 /nfs/dbraw/zinc/65/44/56/450654456.db2.gz DOOCPYCSKTUPMY-OWCLPIDISA-N 2 1 338.496 1.014 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000629419343 450664853 /nfs/dbraw/zinc/66/48/53/450664853.db2.gz PAUFWGSFNQOBTR-KRWDZBQOSA-N 2 1 337.508 1.964 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000629543266 450728479 /nfs/dbraw/zinc/72/84/79/450728479.db2.gz XNOUDVLWFXSLSY-DLBZAZTESA-N 2 1 329.448 1.110 20 0 EDADMP Cc1cncc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000629543266 450728483 /nfs/dbraw/zinc/72/84/83/450728483.db2.gz XNOUDVLWFXSLSY-DLBZAZTESA-N 2 1 329.448 1.110 20 0 EDADMP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000633129659 450702475 /nfs/dbraw/zinc/70/24/75/450702475.db2.gz OZVUTLGUUKBLGU-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000633129659 450702482 /nfs/dbraw/zinc/70/24/82/450702482.db2.gz OZVUTLGUUKBLGU-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000629568685 450740939 /nfs/dbraw/zinc/74/09/39/450740939.db2.gz LCSGYWAAIHDJIR-HOCLYGCPSA-N 2 1 335.448 1.183 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000629568749 450741299 /nfs/dbraw/zinc/74/12/99/450741299.db2.gz WKBPFCFMXYKSKO-KBPBESRZSA-N 2 1 325.428 1.559 20 0 EDADMP CCN(C(=O)C[N@H+](C)CCOCC[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000629579620 450748030 /nfs/dbraw/zinc/74/80/30/450748030.db2.gz VGNAOUBCIRHFOJ-CQSZACIVSA-N 2 1 325.428 1.642 20 0 EDADMP CCN(C(=O)C[N@@H+](C)CCOCC[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000629579620 450748033 /nfs/dbraw/zinc/74/80/33/450748033.db2.gz VGNAOUBCIRHFOJ-CQSZACIVSA-N 2 1 325.428 1.642 20 0 EDADMP C[C@@H](c1ccc(NC[C@H](O)C[NH+]2CCCC2)cc1)[NH+]1CCOCC1 ZINC000629582306 450749105 /nfs/dbraw/zinc/74/91/05/450749105.db2.gz SATRHEHTEPHZHC-LPHOPBHVSA-N 2 1 333.476 1.948 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624306423 450789802 /nfs/dbraw/zinc/78/98/02/450789802.db2.gz DGPSZKGUFZAQOI-NCOADZHNSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624306423 450789806 /nfs/dbraw/zinc/78/98/06/450789806.db2.gz DGPSZKGUFZAQOI-NCOADZHNSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624306423 450789810 /nfs/dbraw/zinc/78/98/10/450789810.db2.gz DGPSZKGUFZAQOI-NCOADZHNSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624306423 450789813 /nfs/dbraw/zinc/78/98/13/450789813.db2.gz DGPSZKGUFZAQOI-NCOADZHNSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)CC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000621641586 450807097 /nfs/dbraw/zinc/80/70/97/450807097.db2.gz OWCQVCGIJVPWSV-BZUAXINKSA-N 2 1 325.497 1.770 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)C[C@H]21 ZINC000627651732 450868984 /nfs/dbraw/zinc/86/89/84/450868984.db2.gz BSBINONEVNRQPE-XWTMOSNGSA-N 2 1 331.435 1.809 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)C[C@H]21 ZINC000627651732 450868989 /nfs/dbraw/zinc/86/89/89/450868989.db2.gz BSBINONEVNRQPE-XWTMOSNGSA-N 2 1 331.435 1.809 20 0 EDADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO)C1CCC1 ZINC000629974707 450928244 /nfs/dbraw/zinc/92/82/44/450928244.db2.gz KZPLWQILOFVCPU-IEBWSBKVSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)C1CCC1 ZINC000629974707 450928247 /nfs/dbraw/zinc/92/82/47/450928247.db2.gz KZPLWQILOFVCPU-IEBWSBKVSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)C1CCC1 ZINC000629974707 450928253 /nfs/dbraw/zinc/92/82/53/450928253.db2.gz KZPLWQILOFVCPU-IEBWSBKVSA-N 2 1 345.487 1.470 20 0 EDADMP CCN(CC[NH3+])C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000626854118 450962451 /nfs/dbraw/zinc/96/24/51/450962451.db2.gz FASSATOQYXGFDN-AWEZNQCLSA-N 2 1 346.475 1.792 20 0 EDADMP CC[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000626934596 451016303 /nfs/dbraw/zinc/01/63/03/451016303.db2.gz JSYLMSVLJWMNNK-JCGIZDLHSA-N 2 1 330.476 1.873 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC[C@@H]1C(F)(F)F ZINC000626939217 451019923 /nfs/dbraw/zinc/01/99/23/451019923.db2.gz WHGQTHQQFSBOQB-SCRDCRAPSA-N 2 1 348.413 1.639 20 0 EDADMP O=C(NC1CC([NH+]2CCOCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627941896 451037885 /nfs/dbraw/zinc/03/78/85/451037885.db2.gz XPGOCFQFGIOLFI-VIQWUECVSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(NC1CC([NH+]2CCOCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627941896 451037891 /nfs/dbraw/zinc/03/78/91/451037891.db2.gz XPGOCFQFGIOLFI-VIQWUECVSA-N 2 1 343.471 1.488 20 0 EDADMP C[NH+](C)CCCOc1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000635498648 450993507 /nfs/dbraw/zinc/99/35/07/450993507.db2.gz XYAPZRYIRQBCLX-QGZVFWFLSA-N 2 1 333.476 1.975 20 0 EDADMP C[C@H](CNC(=O)NCC1([NH3+])CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000626975100 451043940 /nfs/dbraw/zinc/04/39/40/451043940.db2.gz NSKWZQYKLBHUKA-OAHLLOKOSA-N 2 1 334.464 1.314 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635559865 451057209 /nfs/dbraw/zinc/05/72/09/451057209.db2.gz WGMOFRDYJVLBKB-UHFFFAOYSA-N 2 1 336.524 1.252 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CCOCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000626994871 451060975 /nfs/dbraw/zinc/06/09/75/451060975.db2.gz KWFKTNKRGUAQKV-WMZOPIPTSA-N 2 1 348.491 1.656 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000627004279 451069346 /nfs/dbraw/zinc/06/93/46/451069346.db2.gz HYQSPMKAAQIGNL-KBAYOESNSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627010454 451074391 /nfs/dbraw/zinc/07/43/91/451074391.db2.gz OSVCUQHGEZAXGR-MXSMSXNCSA-N 2 1 330.476 1.947 20 0 EDADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635581185 451081197 /nfs/dbraw/zinc/08/11/97/451081197.db2.gz DTQBSHWWKMVVNC-YJBOKZPZSA-N 2 1 335.492 1.620 20 0 EDADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000627019777 451083814 /nfs/dbraw/zinc/08/38/14/451083814.db2.gz PNDMHOBCGCPVON-HZPDHXFCSA-N 2 1 334.489 1.265 20 0 EDADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000627019777 451083818 /nfs/dbraw/zinc/08/38/18/451083818.db2.gz PNDMHOBCGCPVON-HZPDHXFCSA-N 2 1 334.489 1.265 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000622185597 451093677 /nfs/dbraw/zinc/09/36/77/451093677.db2.gz JCNPWVPCYDGKLA-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C[NH2+]1 ZINC000627210521 451189024 /nfs/dbraw/zinc/18/90/24/451189024.db2.gz RBWMSIIEBJKKCU-ZTFGCOKTSA-N 2 1 346.475 1.193 20 0 EDADMP C[N@H+](CC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@H]1CCSC1 ZINC000634094147 451189912 /nfs/dbraw/zinc/18/99/12/451189912.db2.gz ZTVUTIVYKSZTEO-HNNXBMFYSA-N 2 1 337.493 1.526 20 0 EDADMP C[N@@H+](CC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@H]1CCSC1 ZINC000634094147 451189915 /nfs/dbraw/zinc/18/99/15/451189915.db2.gz ZTVUTIVYKSZTEO-HNNXBMFYSA-N 2 1 337.493 1.526 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627238090 451203529 /nfs/dbraw/zinc/20/35/29/451203529.db2.gz AGWBWNVEIYJIGO-RYQLBKOJSA-N 2 1 345.491 1.828 20 0 EDADMP [NH3+]C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCCOC1 ZINC000638085520 451250082 /nfs/dbraw/zinc/25/00/82/451250082.db2.gz MEVRWJHNXTYNPW-ICSRJNTNSA-N 2 1 345.487 1.423 20 0 EDADMP [NH3+]C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCCOC1 ZINC000638085519 451250276 /nfs/dbraw/zinc/25/02/76/451250276.db2.gz MEVRWJHNXTYNPW-AZUAARDMSA-N 2 1 345.487 1.423 20 0 EDADMP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000638116784 451285008 /nfs/dbraw/zinc/28/50/08/451285008.db2.gz GPQONUWIKMZTPC-DLBZAZTESA-N 2 1 347.507 1.472 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)[C@H](C)C1 ZINC000638120929 451289636 /nfs/dbraw/zinc/28/96/36/451289636.db2.gz AZBOWWYCGHDRDS-JLSDUUJJSA-N 2 1 333.476 1.754 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000638133592 451305206 /nfs/dbraw/zinc/30/52/06/451305206.db2.gz JDBZYRLBOLLEGM-LTCOOKNTSA-N 2 1 331.460 1.518 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@]2(C)C[NH2+]CCO2)cc1 ZINC000638133771 451306568 /nfs/dbraw/zinc/30/65/68/451306568.db2.gz MLLVOWJIRHINOO-ACJLOTCBSA-N 2 1 328.416 1.736 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)CCC2C[NH2+]C2)c2cccs2)CC1 ZINC000638135167 451308698 /nfs/dbraw/zinc/30/86/98/451308698.db2.gz RDECBUNWWSQGCO-HNNXBMFYSA-N 2 1 336.505 1.152 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C2=CC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000638137392 451311297 /nfs/dbraw/zinc/31/12/97/451311297.db2.gz JSKUKARMWCNEEZ-RTBURBONSA-N 2 1 342.487 1.529 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C2=CC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000638137392 451311299 /nfs/dbraw/zinc/31/12/99/451311299.db2.gz JSKUKARMWCNEEZ-RTBURBONSA-N 2 1 342.487 1.529 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C2=CC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000638137392 451311301 /nfs/dbraw/zinc/31/13/01/451311301.db2.gz JSKUKARMWCNEEZ-RTBURBONSA-N 2 1 342.487 1.529 20 0 EDADMP C[C@@H](CNC(=O)CCC1C[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000638138159 451312842 /nfs/dbraw/zinc/31/28/42/451312842.db2.gz WTEGHLQTFJTSGL-INIZCTEOSA-N 2 1 330.476 1.313 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000638137939 451313783 /nfs/dbraw/zinc/31/37/83/451313783.db2.gz RBOVJVZFVDMKPX-SFHVURJKSA-N 2 1 346.519 1.699 20 0 EDADMP CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000640511879 451363686 /nfs/dbraw/zinc/36/36/86/451363686.db2.gz IKMQUZWNTBFUDB-JKSUJKDBSA-N 2 1 328.416 1.563 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636629658 451367343 /nfs/dbraw/zinc/36/73/43/451367343.db2.gz UVHNHSAHGAYBJN-BPQIPLTHSA-N 2 1 346.475 1.188 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000636629658 451367346 /nfs/dbraw/zinc/36/73/46/451367346.db2.gz UVHNHSAHGAYBJN-BPQIPLTHSA-N 2 1 346.475 1.188 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000636629658 451367352 /nfs/dbraw/zinc/36/73/52/451367352.db2.gz UVHNHSAHGAYBJN-BPQIPLTHSA-N 2 1 346.475 1.188 20 0 EDADMP CN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1(C[NH3+])CCC1 ZINC000638262255 451385796 /nfs/dbraw/zinc/38/57/96/451385796.db2.gz MEBONNGXIZTCMB-UHFFFAOYSA-N 3 1 344.503 1.710 20 0 EDADMP CC[NH+]1CCN(c2ccc(NCc3c[nH+]c(N)nc3N)c(C)c2)CC1 ZINC000638185880 451345175 /nfs/dbraw/zinc/34/51/75/451345175.db2.gz DLWPOXUOMHZPBB-UHFFFAOYSA-N 2 1 341.463 1.364 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)CC(C)(C)C ZINC000638346303 451449525 /nfs/dbraw/zinc/44/95/25/451449525.db2.gz HSBNHPQGAGIQAL-HOTGVXAUSA-N 2 1 325.497 1.709 20 0 EDADMP CO[C@@]1(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CCOC1 ZINC000638368260 451466096 /nfs/dbraw/zinc/46/60/96/451466096.db2.gz UJOXEMUFXAZOHM-LJQANCHMSA-N 2 1 333.476 1.329 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@@H](O)C[C@@](C)(O)C3CC3)CC2)nc(C)[nH+]1 ZINC000634708480 451486804 /nfs/dbraw/zinc/48/68/04/451486804.db2.gz VRJYCPPGFKQBDZ-PKOBYXMFSA-N 2 1 348.491 1.564 20 0 EDADMP O[C@]1(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634709328 451488082 /nfs/dbraw/zinc/48/80/82/451488082.db2.gz HMFJYTVSEFWPIY-UFYCRDLUSA-N 2 1 346.471 1.551 20 0 EDADMP O[C@]1(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709328 451488090 /nfs/dbraw/zinc/48/80/90/451488090.db2.gz HMFJYTVSEFWPIY-UFYCRDLUSA-N 2 1 346.471 1.551 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000638340826 451444906 /nfs/dbraw/zinc/44/49/06/451444906.db2.gz GHZGUMCEJHGLQG-QZTJIDSGSA-N 2 1 345.491 1.108 20 0 EDADMP O[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000634720853 451501287 /nfs/dbraw/zinc/50/12/87/451501287.db2.gz PUXYPDSOHGDKGZ-MOPGFXCFSA-N 2 1 334.460 1.001 20 0 EDADMP O[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000634720853 451501292 /nfs/dbraw/zinc/50/12/92/451501292.db2.gz PUXYPDSOHGDKGZ-MOPGFXCFSA-N 2 1 334.460 1.001 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000638490295 451542708 /nfs/dbraw/zinc/54/27/08/451542708.db2.gz UQWRURJQAXPKBA-ROUUACIJSA-N 2 1 330.476 1.750 20 0 EDADMP C[N@@H+](CCCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)C1CC1 ZINC000631156190 451614938 /nfs/dbraw/zinc/61/49/38/451614938.db2.gz WLHHRODKYJNYEP-UHFFFAOYSA-N 2 1 345.896 1.951 20 0 EDADMP CCC[C@H]1CN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC[N@H+]1CCOC ZINC000637001851 451672428 /nfs/dbraw/zinc/67/24/28/451672428.db2.gz OPSTWPMZZXGLJZ-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccns1 ZINC000638798849 451694809 /nfs/dbraw/zinc/69/48/09/451694809.db2.gz HYAQKGVHTUGMDA-INIZCTEOSA-N 2 1 332.473 1.522 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638834528 451705039 /nfs/dbraw/zinc/70/50/39/451705039.db2.gz HDAWNXHYHVOCIF-QEEHTWDDSA-N 2 1 327.472 1.870 20 0 EDADMP COc1ccc(Cl)cc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640878223 451667812 /nfs/dbraw/zinc/66/78/12/451667812.db2.gz GIQJRVLDDSUVRQ-UHFFFAOYSA-N 2 1 349.866 1.954 20 0 EDADMP CCc1ccc([C@H](CNC(=O)NCC[N@H+]2CC[C@H](O)C2)[NH+](C)C)cc1 ZINC000636473123 451725996 /nfs/dbraw/zinc/72/59/96/451725996.db2.gz RPWJIIJIKZYSOZ-ROUUACIJSA-N 2 1 348.491 1.218 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000641076814 451746534 /nfs/dbraw/zinc/74/65/34/451746534.db2.gz UDQLLDOBAOBIJL-SFHVURJKSA-N 2 1 330.476 1.964 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@]3(C[NH3+])CCCOC3)C2)cc1 ZINC000639002132 451750744 /nfs/dbraw/zinc/75/07/44/451750744.db2.gz XNFBALPXWGGWJH-HKUYNNGSSA-N 2 1 331.460 1.441 20 0 EDADMP CO[C@@H](Cc1ccccc1)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641173432 451769330 /nfs/dbraw/zinc/76/93/30/451769330.db2.gz FUUZLIREIIGURW-IBGZPJMESA-N 2 1 343.475 1.501 20 0 EDADMP CO[C@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000639171817 451784183 /nfs/dbraw/zinc/78/41/83/451784183.db2.gz DHPZQNPGBOOSSU-RTBURBONSA-N 2 1 339.524 1.528 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccc2oc(=O)n(C)c2c1)CC[NH+](C)C ZINC000639186817 451788169 /nfs/dbraw/zinc/78/81/69/451788169.db2.gz TYEBIXBRYHGKHG-UHFFFAOYSA-N 2 1 334.464 1.447 20 0 EDADMP C[N@@H+](CCCNS(=O)(=O)CCn1ccnc1)Cc1ccccc1 ZINC000641262113 451797647 /nfs/dbraw/zinc/79/76/47/451797647.db2.gz RWXYRRSUMIXIBI-UHFFFAOYSA-N 2 1 336.461 1.325 20 0 EDADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@]1(OC)CCOC1 ZINC000639266417 451801091 /nfs/dbraw/zinc/80/10/91/451801091.db2.gz YLSDGMPWBRXQHG-VAMGGRTRSA-N 2 1 348.487 1.919 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@]1(OC)CCOC1 ZINC000639266417 451801093 /nfs/dbraw/zinc/80/10/93/451801093.db2.gz YLSDGMPWBRXQHG-VAMGGRTRSA-N 2 1 348.487 1.919 20 0 EDADMP Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C2 ZINC000644518119 451836379 /nfs/dbraw/zinc/83/63/79/451836379.db2.gz MLHFDUHMFSOSAY-OALUTQOASA-N 2 1 340.471 1.725 20 0 EDADMP Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C2 ZINC000644518119 451836385 /nfs/dbraw/zinc/83/63/85/451836385.db2.gz MLHFDUHMFSOSAY-OALUTQOASA-N 2 1 340.471 1.725 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[NH+]1CCSCC1 ZINC000649103034 451846612 /nfs/dbraw/zinc/84/66/12/451846612.db2.gz VFOKLTUOKSEFKN-NXHRZFHOSA-N 2 1 347.528 1.885 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[NH+]1CCSCC1 ZINC000649103034 451846613 /nfs/dbraw/zinc/84/66/13/451846613.db2.gz VFOKLTUOKSEFKN-NXHRZFHOSA-N 2 1 347.528 1.885 20 0 EDADMP CN1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000641323706 451847413 /nfs/dbraw/zinc/84/74/13/451847413.db2.gz NTWHFFISFNHJHM-INIZCTEOSA-N 2 1 349.500 1.437 20 0 EDADMP Cn1c[nH+]cc1CCN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000639461441 451879402 /nfs/dbraw/zinc/87/94/02/451879402.db2.gz UPPHDHHYKLGAJU-UHFFFAOYSA-N 2 1 334.386 1.549 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000637469932 451887259 /nfs/dbraw/zinc/88/72/59/451887259.db2.gz GQKMQPXRSXYOOB-SJORKVTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)NC[C@H]1CCCC[NH+]1CCO ZINC000637469932 451887265 /nfs/dbraw/zinc/88/72/65/451887265.db2.gz GQKMQPXRSXYOOB-SJORKVTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)NC[C@H]1CCCC[NH+]1CCO ZINC000637469932 451887271 /nfs/dbraw/zinc/88/72/71/451887271.db2.gz GQKMQPXRSXYOOB-SJORKVTESA-N 2 1 338.496 1.149 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)cc2)CC1 ZINC000646914958 451933626 /nfs/dbraw/zinc/93/36/26/451933626.db2.gz HAVJSBBHNQQXGH-IEBWSBKVSA-N 2 1 342.487 1.605 20 0 EDADMP C[N@H+](Cc1cc[nH]c(=O)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639597099 451963559 /nfs/dbraw/zinc/96/35/59/451963559.db2.gz AHNZAHOSNKOWJL-IBGZPJMESA-N 2 1 327.428 1.856 20 0 EDADMP C[N@@H+](Cc1cc[nH]c(=O)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639597099 451963564 /nfs/dbraw/zinc/96/35/64/451963564.db2.gz AHNZAHOSNKOWJL-IBGZPJMESA-N 2 1 327.428 1.856 20 0 EDADMP C[NH+](Cc1cc[nH]c(=O)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639597099 451963568 /nfs/dbraw/zinc/96/35/68/451963568.db2.gz AHNZAHOSNKOWJL-IBGZPJMESA-N 2 1 327.428 1.856 20 0 EDADMP C[NH+](Cc1cc[nH]c(=O)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639597099 451963572 /nfs/dbraw/zinc/96/35/72/451963572.db2.gz AHNZAHOSNKOWJL-IBGZPJMESA-N 2 1 327.428 1.856 20 0 EDADMP COC[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649299217 451976041 /nfs/dbraw/zinc/97/60/41/451976041.db2.gz AKUZKKFZGAQPES-IEBWSBKVSA-N 2 1 331.460 1.536 20 0 EDADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@]1(N)CC[N@H+](C)C1 ZINC000649312943 451991534 /nfs/dbraw/zinc/99/15/34/451991534.db2.gz NJPYCLGQKZZISC-GOSISDBHSA-N 2 1 348.516 1.515 20 0 EDADMP COC[C@@]1(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000649317594 451995739 /nfs/dbraw/zinc/99/57/39/451995739.db2.gz GGKDSJDXDKVPAP-MAUKXSAKSA-N 2 1 335.448 1.610 20 0 EDADMP C[C@@H](c1ccc(NC(=O)[C@]2(N)CC[N@H+](C)C2)cc1)[NH+]1CCOCC1 ZINC000649322947 452001873 /nfs/dbraw/zinc/00/18/73/452001873.db2.gz XUAQSKSOJJHNIG-KSSFIOAISA-N 2 1 332.448 1.051 20 0 EDADMP C[C@@H](c1ccc(NC(=O)[C@]2(N)CC[N@@H+](C)C2)cc1)[NH+]1CCOCC1 ZINC000649322947 452001881 /nfs/dbraw/zinc/00/18/81/452001881.db2.gz XUAQSKSOJJHNIG-KSSFIOAISA-N 2 1 332.448 1.051 20 0 EDADMP COC[C@@]1(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649332112 452013300 /nfs/dbraw/zinc/01/33/00/452013300.db2.gz XXLPEDPPFZDBQN-UYAOXDASSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649331599 452013314 /nfs/dbraw/zinc/01/33/14/452013314.db2.gz FLIWOHVUYGRULW-GDBMZVCRSA-N 2 1 337.414 1.964 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649331599 452013318 /nfs/dbraw/zinc/01/33/18/452013318.db2.gz FLIWOHVUYGRULW-GDBMZVCRSA-N 2 1 337.414 1.964 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649340381 452020669 /nfs/dbraw/zinc/02/06/69/452020669.db2.gz VEIJTQDUZSDWEC-IASZTOCISA-N 2 1 329.444 1.143 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649340381 452020677 /nfs/dbraw/zinc/02/06/77/452020677.db2.gz VEIJTQDUZSDWEC-IASZTOCISA-N 2 1 329.444 1.143 20 0 EDADMP C[N@@H+](CCNC(=O)[C@H]1C[NH2+]CCC1(F)F)Cc1ccc(F)cc1 ZINC000649344203 452025108 /nfs/dbraw/zinc/02/51/08/452025108.db2.gz DMFCEGRKGSMEDF-CQSZACIVSA-N 2 1 329.366 1.619 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649346064 452029141 /nfs/dbraw/zinc/02/91/41/452029141.db2.gz YDXXEEZIWAXGRC-CVEARBPZSA-N 2 1 347.459 1.582 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3[NH2+]CCc4ccccc43)CC2)C1 ZINC000649352709 452036874 /nfs/dbraw/zinc/03/68/74/452036874.db2.gz GJCKUDKGPVEVBX-PKOBYXMFSA-N 2 1 342.487 1.112 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000649362744 452042815 /nfs/dbraw/zinc/04/28/15/452042815.db2.gz GLYMFEUXWMFMCV-PKOBYXMFSA-N 2 1 342.487 1.894 20 0 EDADMP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000649362744 452042820 /nfs/dbraw/zinc/04/28/20/452042820.db2.gz GLYMFEUXWMFMCV-PKOBYXMFSA-N 2 1 342.487 1.894 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000649378634 452051847 /nfs/dbraw/zinc/05/18/47/452051847.db2.gz PTQZCIWYLPSKHS-NUJGCVRESA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000649378634 452051853 /nfs/dbraw/zinc/05/18/53/452051853.db2.gz PTQZCIWYLPSKHS-NUJGCVRESA-N 2 1 337.508 1.866 20 0 EDADMP CNC(=O)Cc1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418299 452081538 /nfs/dbraw/zinc/08/15/38/452081538.db2.gz YRIORYBEKUWSLV-ZIAGYGMSSA-N 2 1 336.505 1.643 20 0 EDADMP O=C(NC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637797737 452087913 /nfs/dbraw/zinc/08/79/13/452087913.db2.gz GYGKHGPKQBWZAT-QUCCMNQESA-N 2 1 343.471 1.393 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccn(C)c(=O)c3)CC2)CC1 ZINC000643255267 452099660 /nfs/dbraw/zinc/09/96/60/452099660.db2.gz VUAWICADRQBHJX-UHFFFAOYSA-N 2 1 332.492 1.377 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637822986 452102774 /nfs/dbraw/zinc/10/27/74/452102774.db2.gz CCXHCMCAHYDLBO-IEZWGBDMSA-N 2 1 331.460 1.379 20 0 EDADMP CO[C@]1(CO)CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639798940 452137457 /nfs/dbraw/zinc/13/74/57/452137457.db2.gz RWANMTQWPYXLKL-RTBURBONSA-N 2 1 334.460 1.097 20 0 EDADMP CO[C@]1(CO)CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639798940 452137462 /nfs/dbraw/zinc/13/74/62/452137462.db2.gz RWANMTQWPYXLKL-RTBURBONSA-N 2 1 334.460 1.097 20 0 EDADMP CO[C@]1(CO)CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639798940 452137470 /nfs/dbraw/zinc/13/74/70/452137470.db2.gz RWANMTQWPYXLKL-RTBURBONSA-N 2 1 334.460 1.097 20 0 EDADMP CO[C@]1(CO)CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639798940 452137474 /nfs/dbraw/zinc/13/74/74/452137474.db2.gz RWANMTQWPYXLKL-RTBURBONSA-N 2 1 334.460 1.097 20 0 EDADMP CNC(=O)CCCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637938944 452187303 /nfs/dbraw/zinc/18/73/03/452187303.db2.gz UQPQHWSMAWLRLL-UHFFFAOYSA-N 2 1 346.475 1.012 20 0 EDADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC[NH+](C2CC2)C1 ZINC000649661430 452187442 /nfs/dbraw/zinc/18/74/42/452187442.db2.gz CERPDKLZDHMZEV-XLIONFOSSA-N 2 1 331.504 1.895 20 0 EDADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)Cc2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000649661430 452187446 /nfs/dbraw/zinc/18/74/46/452187446.db2.gz CERPDKLZDHMZEV-XLIONFOSSA-N 2 1 331.504 1.895 20 0 EDADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)Cc2ccccc2)CC[N@H+](C2CC2)C1 ZINC000649661430 452187452 /nfs/dbraw/zinc/18/74/52/452187452.db2.gz CERPDKLZDHMZEV-XLIONFOSSA-N 2 1 331.504 1.895 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000645164340 452189699 /nfs/dbraw/zinc/18/96/99/452189699.db2.gz JLJUSQWULZKBCV-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)C2 ZINC000647535543 452268371 /nfs/dbraw/zinc/26/83/71/452268371.db2.gz FSVHCJWQVPBJPW-MSOLQXFVSA-N 2 1 343.471 1.624 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000641802527 452276987 /nfs/dbraw/zinc/27/69/87/452276987.db2.gz MHHPFXBEPNNIMU-ZIAGYGMSSA-N 2 1 332.473 1.670 20 0 EDADMP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000663578828 452302872 /nfs/dbraw/zinc/30/28/72/452302872.db2.gz OKOMYUTZKVUGNR-INIZCTEOSA-N 2 1 339.528 1.184 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000663578828 452302884 /nfs/dbraw/zinc/30/28/84/452302884.db2.gz OKOMYUTZKVUGNR-INIZCTEOSA-N 2 1 339.528 1.184 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000663578828 452302890 /nfs/dbraw/zinc/30/28/90/452302890.db2.gz OKOMYUTZKVUGNR-INIZCTEOSA-N 2 1 339.528 1.184 20 0 EDADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000639984683 452315387 /nfs/dbraw/zinc/31/53/87/452315387.db2.gz XSHDPZZZMBQYTI-HNNXBMFYSA-N 2 1 329.510 1.218 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H](C)CCO)CC1 ZINC000649866540 452325450 /nfs/dbraw/zinc/32/54/50/452325450.db2.gz VRVBJUPTKHTPOU-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)CCO)CC1 ZINC000649866540 452325460 /nfs/dbraw/zinc/32/54/60/452325460.db2.gz VRVBJUPTKHTPOU-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)CCO)CC1 ZINC000649866540 452325468 /nfs/dbraw/zinc/32/54/68/452325468.db2.gz VRVBJUPTKHTPOU-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP CCC[C@]1(CO)CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665761348 452336969 /nfs/dbraw/zinc/33/69/69/452336969.db2.gz AEVPYOCZGWEUBM-FUHWJXTLSA-N 2 1 342.528 1.595 20 0 EDADMP CCC[C@]1(CO)CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665761348 452336974 /nfs/dbraw/zinc/33/69/74/452336974.db2.gz AEVPYOCZGWEUBM-FUHWJXTLSA-N 2 1 342.528 1.595 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCCCC[C@H]1CCO ZINC000665762842 452339526 /nfs/dbraw/zinc/33/95/26/452339526.db2.gz RNWSHXSPQSFWHW-IRXDYDNUSA-N 2 1 342.528 1.595 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCCCC[C@H]1CCO ZINC000665762842 452339534 /nfs/dbraw/zinc/33/95/34/452339534.db2.gz RNWSHXSPQSFWHW-IRXDYDNUSA-N 2 1 342.528 1.595 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000665763755 452347416 /nfs/dbraw/zinc/34/74/16/452347416.db2.gz LABVRPVOXYNVBL-XHSDSOJGSA-N 2 1 340.512 1.325 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000665763755 452347422 /nfs/dbraw/zinc/34/74/22/452347422.db2.gz LABVRPVOXYNVBL-XHSDSOJGSA-N 2 1 340.512 1.325 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4nccnc4c3)CC2)C1 ZINC000638058775 452348879 /nfs/dbraw/zinc/34/88/79/452348879.db2.gz XFABUDZWEDHUAZ-QGZVFWFLSA-N 2 1 325.460 1.842 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4nccnc4c3)CC2)C1 ZINC000638058775 452348891 /nfs/dbraw/zinc/34/88/91/452348891.db2.gz XFABUDZWEDHUAZ-QGZVFWFLSA-N 2 1 325.460 1.842 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652163137 452357845 /nfs/dbraw/zinc/35/78/45/452357845.db2.gz ARSMWYZDWPVARI-ULQDDVLXSA-N 2 1 340.512 1.646 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638070803 452377833 /nfs/dbraw/zinc/37/78/33/452377833.db2.gz AONMVVLRAJTBMS-ZWKOTPCHSA-N 2 1 332.492 1.246 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638070803 452377847 /nfs/dbraw/zinc/37/78/47/452377847.db2.gz AONMVVLRAJTBMS-ZWKOTPCHSA-N 2 1 332.492 1.246 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638070803 452377860 /nfs/dbraw/zinc/37/78/60/452377860.db2.gz AONMVVLRAJTBMS-ZWKOTPCHSA-N 2 1 332.492 1.246 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N[C@H]1CCC[NH2+]CC1 ZINC000659537592 452396499 /nfs/dbraw/zinc/39/64/99/452396499.db2.gz SUAORALHTJCXDM-ARFHVFGLSA-N 2 1 336.480 1.071 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652203672 452400678 /nfs/dbraw/zinc/40/06/78/452400678.db2.gz UQTQLZGUBMTBKC-GOSISDBHSA-N 2 1 332.492 1.943 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652203672 452400685 /nfs/dbraw/zinc/40/06/85/452400685.db2.gz UQTQLZGUBMTBKC-GOSISDBHSA-N 2 1 332.492 1.943 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)CC2([NH3+])CCC2)[C@@H](c2ccccc2)C1 ZINC000645434676 452405454 /nfs/dbraw/zinc/40/54/54/452405454.db2.gz QWZPTCAQWIUOQM-GOSISDBHSA-N 2 1 344.503 1.753 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)CC2([NH3+])CCC2)[C@@H](c2ccccc2)C1 ZINC000645434676 452405455 /nfs/dbraw/zinc/40/54/55/452405455.db2.gz QWZPTCAQWIUOQM-GOSISDBHSA-N 2 1 344.503 1.753 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)CC2([NH3+])CCC2)[C@@H](c2ccccc2)C1 ZINC000645434676 452405457 /nfs/dbraw/zinc/40/54/57/452405457.db2.gz QWZPTCAQWIUOQM-GOSISDBHSA-N 2 1 344.503 1.753 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC2=CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652214073 452408282 /nfs/dbraw/zinc/40/82/82/452408282.db2.gz SPGUNLIDDANWBQ-GOSISDBHSA-N 2 1 328.460 1.474 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC2=CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652214073 452408287 /nfs/dbraw/zinc/40/82/87/452408287.db2.gz SPGUNLIDDANWBQ-GOSISDBHSA-N 2 1 328.460 1.474 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652224243 452417077 /nfs/dbraw/zinc/41/70/77/452417077.db2.gz WCVGXYQMCFJNON-KSZLIROESA-N 2 1 330.476 1.682 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652224243 452417083 /nfs/dbraw/zinc/41/70/83/452417083.db2.gz WCVGXYQMCFJNON-KSZLIROESA-N 2 1 330.476 1.682 20 0 EDADMP O=C(C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000640095720 452419036 /nfs/dbraw/zinc/41/90/36/452419036.db2.gz PYUYQPBMAOJAIF-SQNIBIBYSA-N 2 1 335.492 1.355 20 0 EDADMP O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654377618 452430731 /nfs/dbraw/zinc/43/07/31/452430731.db2.gz QTUHYJSQKWWCBB-IRXDYDNUSA-N 2 1 338.496 1.415 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCCC2)[C@@H](Cc2ccccc2)C1 ZINC000659575742 452430929 /nfs/dbraw/zinc/43/09/29/452430929.db2.gz WGOZYIGUDSWCAC-KRWDZBQOSA-N 2 1 330.476 1.826 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC2([NH3+])CCCC2)[C@@H](Cc2ccccc2)C1 ZINC000659575742 452430934 /nfs/dbraw/zinc/43/09/34/452430934.db2.gz WGOZYIGUDSWCAC-KRWDZBQOSA-N 2 1 330.476 1.826 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[NH+]3CCCC3)CC2)CC1 ZINC000654407185 452457645 /nfs/dbraw/zinc/45/76/45/452457645.db2.gz HZWRVYWBJSSDFX-UHFFFAOYSA-N 3 1 336.524 1.395 20 0 EDADMP C[C@H]1[NH2+]CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)[C@H]1C ZINC000659608287 452463705 /nfs/dbraw/zinc/46/37/05/452463705.db2.gz MAJFVJMUHIDFHK-QKPAOTATSA-N 2 1 336.480 1.022 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663737431 452470481 /nfs/dbraw/zinc/47/04/81/452470481.db2.gz ZRMFZHGHCUQDEE-QGZVFWFLSA-N 2 1 349.479 1.478 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000659619775 452476430 /nfs/dbraw/zinc/47/64/30/452476430.db2.gz ULQBDNOIJJZYET-ZWKOTPCHSA-N 2 1 332.492 1.928 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000659619775 452476438 /nfs/dbraw/zinc/47/64/38/452476438.db2.gz ULQBDNOIJJZYET-ZWKOTPCHSA-N 2 1 332.492 1.928 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000654429758 452486488 /nfs/dbraw/zinc/48/64/88/452486488.db2.gz XMHDUBYKYYFJGD-BARDWOONSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000654429758 452486498 /nfs/dbraw/zinc/48/64/98/452486498.db2.gz XMHDUBYKYYFJGD-BARDWOONSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000654429758 452486507 /nfs/dbraw/zinc/48/65/07/452486507.db2.gz XMHDUBYKYYFJGD-BARDWOONSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000654429758 452486517 /nfs/dbraw/zinc/48/65/17/452486517.db2.gz XMHDUBYKYYFJGD-BARDWOONSA-N 2 1 326.485 1.266 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000659633021 452497346 /nfs/dbraw/zinc/49/73/46/452497346.db2.gz AHWHXYWAYGWYEW-QFBILLFUSA-N 2 1 330.476 1.902 20 0 EDADMP CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345475 452520795 /nfs/dbraw/zinc/52/07/95/452520795.db2.gz CKMALHVSCJAZFT-IPMKNSEASA-N 2 1 345.487 1.863 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3nnnn3-c3ccccc3)C2)C1 ZINC000652346952 452522041 /nfs/dbraw/zinc/52/20/41/452522041.db2.gz MDADKXIMTHREGP-ZMSDIMECSA-N 2 1 342.447 1.381 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3nnnn3-c3ccccc3)C2)C1 ZINC000652346952 452522048 /nfs/dbraw/zinc/52/20/48/452522048.db2.gz MDADKXIMTHREGP-ZMSDIMECSA-N 2 1 342.447 1.381 20 0 EDADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346918 452523115 /nfs/dbraw/zinc/52/31/15/452523115.db2.gz LJRYJSLRHVRYKW-LJIGWXMPSA-N 2 1 325.497 1.898 20 0 EDADMP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347410 452523863 /nfs/dbraw/zinc/52/38/63/452523863.db2.gz AHTXTUBZFCVOGZ-WMEZAQDKSA-N 2 1 349.519 1.994 20 0 EDADMP Fc1ccccc1Cc1nnc2n1CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000652353207 452529392 /nfs/dbraw/zinc/52/93/92/452529392.db2.gz QXKHGMDIZILMSE-CQSZACIVSA-N 2 1 329.423 1.823 20 0 EDADMP Fc1ccccc1Cc1nnc2n1CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000652353207 452529399 /nfs/dbraw/zinc/52/93/99/452529399.db2.gz QXKHGMDIZILMSE-CQSZACIVSA-N 2 1 329.423 1.823 20 0 EDADMP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655721103 452534966 /nfs/dbraw/zinc/53/49/66/452534966.db2.gz LBQVIGVVZJAHAX-QZTJIDSGSA-N 3 1 327.513 1.576 20 0 EDADMP C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)COC[C@@H]1CCOC1 ZINC000655716095 452535338 /nfs/dbraw/zinc/53/53/38/452535338.db2.gz RSPUCXLETKNDCF-FUHWJXTLSA-N 2 1 326.481 1.663 20 0 EDADMP c1c(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)nc2n1CCS2 ZINC000655757494 452561886 /nfs/dbraw/zinc/56/18/86/452561886.db2.gz UVSXCABZUSNYCB-INIZCTEOSA-N 2 1 336.505 1.764 20 0 EDADMP c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(N2CCOCC2)c1 ZINC000655770246 452569505 /nfs/dbraw/zinc/56/95/05/452569505.db2.gz DBPRKLANJGMRIA-FQEVSTJZSA-N 2 1 345.487 1.866 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661842047 452624704 /nfs/dbraw/zinc/62/47/04/452624704.db2.gz QHOVIDWPDUIIIF-PMPSAXMXSA-N 2 1 328.497 1.641 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661842047 452624714 /nfs/dbraw/zinc/62/47/14/452624714.db2.gz QHOVIDWPDUIIIF-PMPSAXMXSA-N 2 1 328.497 1.641 20 0 EDADMP COC[C@H](CC1CCOCC1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000657992434 452666672 /nfs/dbraw/zinc/66/66/72/452666672.db2.gz JXBJRGSLQSESSP-WMZOPIPTSA-N 2 1 328.497 1.909 20 0 EDADMP C[C@H](CNC(=O)NCCCC[N@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654587982 452671752 /nfs/dbraw/zinc/67/17/52/452671752.db2.gz IYKNYWCOZYNGMK-OAGGEKHMSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654587982 452671758 /nfs/dbraw/zinc/67/17/58/452671758.db2.gz IYKNYWCOZYNGMK-OAGGEKHMSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H](CNC(=O)NCCCC[NH+](C)C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654587982 452671765 /nfs/dbraw/zinc/67/17/65/452671765.db2.gz IYKNYWCOZYNGMK-OAGGEKHMSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H](CNC(=O)NCCCC[NH+](C)C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654587982 452671772 /nfs/dbraw/zinc/67/17/72/452671772.db2.gz IYKNYWCOZYNGMK-OAGGEKHMSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000655916734 452677220 /nfs/dbraw/zinc/67/72/20/452677220.db2.gz HKAAEWREMXLEOA-AAEUAGOBSA-N 2 1 332.370 1.696 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978141 452724233 /nfs/dbraw/zinc/72/42/33/452724233.db2.gz NFHBKPBQHCPQMW-MUGJNUQGSA-N 3 1 331.504 1.629 20 0 EDADMP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978141 452724242 /nfs/dbraw/zinc/72/42/42/452724242.db2.gz NFHBKPBQHCPQMW-MUGJNUQGSA-N 2 1 331.504 1.629 20 0 EDADMP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978141 452724249 /nfs/dbraw/zinc/72/42/49/452724249.db2.gz NFHBKPBQHCPQMW-MUGJNUQGSA-N 2 1 331.504 1.629 20 0 EDADMP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000658114355 452730566 /nfs/dbraw/zinc/73/05/66/452730566.db2.gz MVDYFXOZUHLQPN-NQYYFHDYSA-N 2 1 340.508 1.786 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649696 452743390 /nfs/dbraw/zinc/74/33/90/452743390.db2.gz KZTIZKBQBSOLFI-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649696 452743394 /nfs/dbraw/zinc/74/33/94/452743394.db2.gz KZTIZKBQBSOLFI-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH3+])CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655961236 452743351 /nfs/dbraw/zinc/74/33/51/452743351.db2.gz JTUVRRFSMRTKJX-SOUVJXGZSA-N 2 1 326.485 1.445 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH3+])CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655961236 452743357 /nfs/dbraw/zinc/74/33/57/452743357.db2.gz JTUVRRFSMRTKJX-SOUVJXGZSA-N 2 1 326.485 1.445 20 0 EDADMP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139678 452747883 /nfs/dbraw/zinc/74/78/83/452747883.db2.gz QXFXBPQCRPZTAU-YOEHRIQHSA-N 2 1 340.489 1.166 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](OC)C2CCCC2)CC1 ZINC000659878282 452754194 /nfs/dbraw/zinc/75/41/94/452754194.db2.gz KLHLWTJNXDZEBE-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)cc1 ZINC000658148020 452755259 /nfs/dbraw/zinc/75/52/59/452755259.db2.gz IZEYNENCIACGNZ-BEFAXECRSA-N 2 1 345.443 1.999 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652677950 452827108 /nfs/dbraw/zinc/82/71/08/452827108.db2.gz MLTLLHQVUNTEOK-OAHLLOKOSA-N 2 1 338.496 1.002 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)CC[N@H+]1C ZINC000648118985 452836143 /nfs/dbraw/zinc/83/61/43/452836143.db2.gz CNBDDKXCVJTNBD-RBSFLKMASA-N 2 1 348.516 1.954 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000648128510 452841819 /nfs/dbraw/zinc/84/18/19/452841819.db2.gz WOBLFJJWKJBUFZ-LSDHHAIUSA-N 2 1 349.479 1.243 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000648177511 452889864 /nfs/dbraw/zinc/88/98/64/452889864.db2.gz FIPJTTALIAVEBR-UKRRQHHQSA-N 2 1 345.451 1.311 20 0 EDADMP CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000660028257 452938194 /nfs/dbraw/zinc/93/81/94/452938194.db2.gz UNHRHADFBGEXJR-HNNXBMFYSA-N 2 1 325.478 1.511 20 0 EDADMP C[N@H+](CCSc1ccc(F)cc1F)CC(=O)N1CC[NH2+]CC1 ZINC000662238146 452968379 /nfs/dbraw/zinc/96/83/79/452968379.db2.gz NLOQWZHLJBOPPR-UHFFFAOYSA-N 2 1 329.416 1.421 20 0 EDADMP C[N@@H+](CCSc1ccc(F)cc1F)CC(=O)N1CC[NH2+]CC1 ZINC000662238146 452968385 /nfs/dbraw/zinc/96/83/85/452968385.db2.gz NLOQWZHLJBOPPR-UHFFFAOYSA-N 2 1 329.416 1.421 20 0 EDADMP CCN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664310148 452984943 /nfs/dbraw/zinc/98/49/43/452984943.db2.gz ANUQYWDMEXBLTJ-GDBMZVCRSA-N 2 1 328.526 1.549 20 0 EDADMP COc1cccc([C@@H](C)N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662260961 452990823 /nfs/dbraw/zinc/99/08/23/452990823.db2.gz DLZQXAJXHNONHU-APWZRJJASA-N 2 1 345.487 1.895 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000662284583 453009831 /nfs/dbraw/zinc/00/98/31/453009831.db2.gz XRYWCOZSXJVNGS-NFAWXSAZSA-N 2 1 325.478 1.400 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000662284583 453009839 /nfs/dbraw/zinc/00/98/39/453009839.db2.gz XRYWCOZSXJVNGS-NFAWXSAZSA-N 2 1 325.478 1.400 20 0 EDADMP O=C(CN1CCC([C@@H]2CCC[NH2+]C2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000662293352 453017082 /nfs/dbraw/zinc/01/70/82/453017082.db2.gz QVGVQWVAVWWZPW-QGZVFWFLSA-N 2 1 348.535 1.441 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000662315412 453033465 /nfs/dbraw/zinc/03/34/65/453033465.db2.gz FGRJMAJEBSNMCK-HZPDHXFCSA-N 2 1 334.464 1.425 20 0 EDADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662378137 453085363 /nfs/dbraw/zinc/08/53/63/453085363.db2.gz ZUAPTTMGLBAHOD-OAHLLOKOSA-N 2 1 339.443 1.275 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662378137 453085369 /nfs/dbraw/zinc/08/53/69/453085369.db2.gz ZUAPTTMGLBAHOD-OAHLLOKOSA-N 2 1 339.443 1.275 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000644166065 453096641 /nfs/dbraw/zinc/09/66/41/453096641.db2.gz HMENBKHGEKASHC-BFYDXBDKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000644166065 453096648 /nfs/dbraw/zinc/09/66/48/453096648.db2.gz HMENBKHGEKASHC-BFYDXBDKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000644166065 453096656 /nfs/dbraw/zinc/09/66/56/453096656.db2.gz HMENBKHGEKASHC-BFYDXBDKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662387155 453096651 /nfs/dbraw/zinc/09/66/51/453096651.db2.gz BWSQRMWQRJDRQL-HUUCEWRRSA-N 2 1 333.480 1.871 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000662434402 453142656 /nfs/dbraw/zinc/14/26/56/453142656.db2.gz BBGWDKMOMFOSBT-ZBFHGGJFSA-N 2 1 332.448 1.320 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666804538 453157679 /nfs/dbraw/zinc/15/76/79/453157679.db2.gz RTPNHENSYSUSON-QGZVFWFLSA-N 2 1 346.475 1.855 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662452846 453160930 /nfs/dbraw/zinc/16/09/30/453160930.db2.gz PQUAALQKMWGJRM-DLBZAZTESA-N 2 1 331.460 1.516 20 0 EDADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662454538 453162394 /nfs/dbraw/zinc/16/23/94/453162394.db2.gz BTABSCQDTDBBQB-IRXDYDNUSA-N 2 1 330.476 1.041 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCO)CC(F)F)CC2)CC1 ZINC000655043910 453162554 /nfs/dbraw/zinc/16/25/54/453162554.db2.gz PCSTWIDBKMVLAY-UHFFFAOYSA-N 2 1 347.450 1.269 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCn4nccc43)CC2)CC1 ZINC000655065879 453187652 /nfs/dbraw/zinc/18/76/52/453187652.db2.gz MLVWMZDMZNIWEJ-UHFFFAOYSA-N 2 1 331.464 1.426 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000666920219 453242937 /nfs/dbraw/zinc/24/29/37/453242937.db2.gz PZKZVGJLSOVYRD-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000651091523 453261467 /nfs/dbraw/zinc/26/14/67/453261467.db2.gz JDBYZLQNKVFRAE-OLMNPRSZSA-N 2 1 346.475 1.138 20 0 EDADMP C[C@@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000651091523 453261470 /nfs/dbraw/zinc/26/14/70/453261470.db2.gz JDBYZLQNKVFRAE-OLMNPRSZSA-N 2 1 346.475 1.138 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000648781102 453263541 /nfs/dbraw/zinc/26/35/41/453263541.db2.gz SAMYDQFREASSDQ-HNNXBMFYSA-N 2 1 336.480 1.966 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660395914 453271795 /nfs/dbraw/zinc/27/17/95/453271795.db2.gz QSNQDVBZZQALNQ-INIZCTEOSA-N 2 1 335.452 1.134 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)COCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646277764 453283979 /nfs/dbraw/zinc/28/39/79/453283979.db2.gz JAWXUFQPUJDRTB-WBMJQRKESA-N 2 1 343.830 1.563 20 0 EDADMP C[NH2+][C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)c1cccc(Cl)c1Cl ZINC000662554777 453284500 /nfs/dbraw/zinc/28/45/00/453284500.db2.gz RKYCULPOEMOSGK-TVQRCGJNSA-N 2 1 332.231 1.440 20 0 EDADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111030 453297342 /nfs/dbraw/zinc/29/73/42/453297342.db2.gz AWKLOGIPGZBSIJ-LNLFQRSKSA-N 2 1 329.444 1.003 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](N)CC[NH+](C)C)cc2)C1 ZINC000653123137 453316227 /nfs/dbraw/zinc/31/62/27/453316227.db2.gz OXCHTBUWYCDTQV-QAPCUYQASA-N 2 1 348.491 1.625 20 0 EDADMP C[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000667054826 453371672 /nfs/dbraw/zinc/37/16/72/453371672.db2.gz WWRMAEIIXUKZRA-PBHICJAKSA-N 2 1 332.448 1.977 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653190224 453380647 /nfs/dbraw/zinc/38/06/47/453380647.db2.gz IIXZNIIWICUGMF-DACLVMHWSA-N 2 1 347.459 1.440 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667078571 453390945 /nfs/dbraw/zinc/39/09/45/453390945.db2.gz ZGJGDNSLYLFDOB-GOEBONIOSA-N 2 1 330.432 1.027 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3[NH2+]CCC3(C)C)c2)CCO1 ZINC000662696675 453416943 /nfs/dbraw/zinc/41/69/43/453416943.db2.gz QVNQNACYPCVJGS-YJBOKZPZSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3[NH2+]CCC3(C)C)c2)CCO1 ZINC000662696675 453416948 /nfs/dbraw/zinc/41/69/48/453416948.db2.gz QVNQNACYPCVJGS-YJBOKZPZSA-N 2 1 345.487 1.912 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662696130 453416962 /nfs/dbraw/zinc/41/69/62/453416962.db2.gz TYJWTBGOHKTKNL-QGZVFWFLSA-N 2 1 344.503 1.846 20 0 EDADMP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000655327464 453451548 /nfs/dbraw/zinc/45/15/48/453451548.db2.gz CPEOFHPHQLCKFZ-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000655327464 453451553 /nfs/dbraw/zinc/45/15/53/453451553.db2.gz CPEOFHPHQLCKFZ-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000655327464 453451555 /nfs/dbraw/zinc/45/15/55/453451555.db2.gz CPEOFHPHQLCKFZ-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000655327464 453451559 /nfs/dbraw/zinc/45/15/59/453451559.db2.gz CPEOFHPHQLCKFZ-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000664896924 453469216 /nfs/dbraw/zinc/46/92/16/453469216.db2.gz PKIFSWBKTHNGHB-FUHWJXTLSA-N 2 1 347.507 1.052 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000664896924 453469225 /nfs/dbraw/zinc/46/92/25/453469225.db2.gz PKIFSWBKTHNGHB-FUHWJXTLSA-N 2 1 347.507 1.052 20 0 EDADMP CN1CC[NH+](CCCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662754582 453491882 /nfs/dbraw/zinc/49/18/82/453491882.db2.gz RIPVFFPLJVZJPA-GOSISDBHSA-N 2 1 344.503 1.433 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cncc(O)c1 ZINC000655390679 453494098 /nfs/dbraw/zinc/49/40/98/453494098.db2.gz GQTBPIBZUCROIV-INIZCTEOSA-N 2 1 334.464 1.204 20 0 EDADMP [NH3+][C@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc(F)cc1F ZINC000662763914 453501269 /nfs/dbraw/zinc/50/12/69/453501269.db2.gz JYQUQZPPWGZLER-ZBEGNZNMSA-N 2 1 332.354 1.814 20 0 EDADMP Cc1ncsc1CCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664998385 453538646 /nfs/dbraw/zinc/53/86/46/453538646.db2.gz DMJHTCOCHKJSNA-ZDUSSCGKSA-N 2 1 341.525 1.565 20 0 EDADMP Cc1ncsc1CCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664998385 453538655 /nfs/dbraw/zinc/53/86/55/453538655.db2.gz DMJHTCOCHKJSNA-ZDUSSCGKSA-N 2 1 341.525 1.565 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000667326872 453559304 /nfs/dbraw/zinc/55/93/04/453559304.db2.gz DHUURXYGFAVGSW-ZWKOTPCHSA-N 2 1 330.476 1.854 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000667330020 453562816 /nfs/dbraw/zinc/56/28/16/453562816.db2.gz WQLJKBIDLYTOSR-OALUTQOASA-N 2 1 340.471 1.917 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662844696 453567166 /nfs/dbraw/zinc/56/71/66/453567166.db2.gz AHNODBWGRLXDCR-YJBOKZPZSA-N 2 1 331.460 1.933 20 0 EDADMP CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662858713 453573605 /nfs/dbraw/zinc/57/36/05/453573605.db2.gz HQGGEOJWQNLDLB-MSOLQXFVSA-N 2 1 345.487 1.648 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@H](C)[NH3+] ZINC000662861124 453576303 /nfs/dbraw/zinc/57/63/03/453576303.db2.gz XOIFJJFNDDXRTI-WBAXXEDZSA-N 2 1 333.476 1.489 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H](C)[NH3+] ZINC000662861120 453577039 /nfs/dbraw/zinc/57/70/39/453577039.db2.gz XOIFJJFNDDXRTI-OLMNPRSZSA-N 2 1 333.476 1.489 20 0 EDADMP CO[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000665118987 453581509 /nfs/dbraw/zinc/58/15/09/453581509.db2.gz KERSEMQGYAAMTM-HRCADAONSA-N 2 1 340.512 1.515 20 0 EDADMP CO[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000665118987 453581510 /nfs/dbraw/zinc/58/15/10/453581510.db2.gz KERSEMQGYAAMTM-HRCADAONSA-N 2 1 340.512 1.515 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000660827848 453591195 /nfs/dbraw/zinc/59/11/95/453591195.db2.gz UCMBTBDFCCRKAZ-IRXDYDNUSA-N 2 1 334.508 1.892 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000660827848 453591200 /nfs/dbraw/zinc/59/12/00/453591200.db2.gz UCMBTBDFCCRKAZ-IRXDYDNUSA-N 2 1 334.508 1.892 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660827848 453591208 /nfs/dbraw/zinc/59/12/08/453591208.db2.gz UCMBTBDFCCRKAZ-IRXDYDNUSA-N 2 1 334.508 1.892 20 0 EDADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1C ZINC000665290719 453636803 /nfs/dbraw/zinc/63/68/03/453636803.db2.gz IOGNFDJMAIZQQM-GFCCVEGCSA-N 2 1 343.431 1.765 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291654 453638592 /nfs/dbraw/zinc/63/85/92/453638592.db2.gz HGKJMQLJQNBVBW-CZUORRHYSA-N 2 1 327.432 1.251 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000663000318 453642820 /nfs/dbraw/zinc/64/28/20/453642820.db2.gz GFPOLEDQEJLSHE-VQIMIIECSA-N 2 1 327.472 1.939 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000659113447 453644212 /nfs/dbraw/zinc/64/42/12/453644212.db2.gz UYILFSDOZIPSTF-JTQLQIEISA-N 2 1 326.828 1.064 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665364351 453667926 /nfs/dbraw/zinc/66/79/26/453667926.db2.gz ONPYCKSLCALUQI-INIZCTEOSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000665364351 453667927 /nfs/dbraw/zinc/66/79/27/453667927.db2.gz ONPYCKSLCALUQI-INIZCTEOSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[C@@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)[NH+]1CCOCC1 ZINC000659286389 453701743 /nfs/dbraw/zinc/70/17/43/453701743.db2.gz DYQXYRMLRSCSSE-ZWKOTPCHSA-N 2 1 331.460 1.694 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657160975 453713346 /nfs/dbraw/zinc/71/33/46/453713346.db2.gz MVSGTLJNGGNQAF-OAHLLOKOSA-N 2 1 331.526 1.655 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)C2CCC2)CC1 ZINC000661153539 453737106 /nfs/dbraw/zinc/73/71/06/453737106.db2.gz IRMSTQWKYHHDEU-LPHOPBHVSA-N 2 1 345.487 1.642 20 0 EDADMP [NH3+]C[C@H]1OCC[C@@H]1c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000663250052 453746718 /nfs/dbraw/zinc/74/67/18/453746718.db2.gz AOQXGDSQTYUJAS-JKSUJKDBSA-N 2 1 344.415 1.400 20 0 EDADMP COC[C@H](C)Oc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000657347356 453770886 /nfs/dbraw/zinc/77/08/86/453770886.db2.gz XUHZGFGGOKBNLV-INIZCTEOSA-N 2 1 349.475 1.354 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000661237879 453770990 /nfs/dbraw/zinc/77/09/90/453770990.db2.gz NTFJGOMETVNWTG-QGZVFWFLSA-N 2 1 338.496 1.130 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000661237879 453770999 /nfs/dbraw/zinc/77/09/99/453770999.db2.gz NTFJGOMETVNWTG-QGZVFWFLSA-N 2 1 338.496 1.130 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000661237879 453771000 /nfs/dbraw/zinc/77/10/00/453771000.db2.gz NTFJGOMETVNWTG-QGZVFWFLSA-N 2 1 338.496 1.130 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1ccccc1F ZINC000663363755 453780028 /nfs/dbraw/zinc/78/00/28/453780028.db2.gz MGFGIMKCBKFXBT-JKSUJKDBSA-N 2 1 338.423 1.408 20 0 EDADMP CCN(C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000663453027 453802296 /nfs/dbraw/zinc/80/22/96/453802296.db2.gz WZOIPHUGURMAAV-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C)C1 ZINC000663453027 453802298 /nfs/dbraw/zinc/80/22/98/453802298.db2.gz WZOIPHUGURMAAV-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C)C1 ZINC000663453027 453802299 /nfs/dbraw/zinc/80/22/99/453802299.db2.gz WZOIPHUGURMAAV-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000663454125 453802767 /nfs/dbraw/zinc/80/27/67/453802767.db2.gz FJYPUHSFISEYGB-HNNXBMFYSA-N 3 1 327.517 1.042 20 0 EDADMP CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000663454125 453802768 /nfs/dbraw/zinc/80/27/68/453802768.db2.gz FJYPUHSFISEYGB-HNNXBMFYSA-N 3 1 327.517 1.042 20 0 EDADMP O=C1NC(=O)C2(CCC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)N1 ZINC000663467936 453804068 /nfs/dbraw/zinc/80/40/68/453804068.db2.gz IPHNNPBVLUCZMT-SYJJWHGVSA-N 2 1 334.464 1.219 20 0 EDADMP C[C@@H](CCNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000663542544 453819185 /nfs/dbraw/zinc/81/91/85/453819185.db2.gz CKKLWRCFYFXTIZ-SOUVJXGZSA-N 2 1 328.501 1.514 20 0 EDADMP C[C@@H](CCNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000663542544 453819186 /nfs/dbraw/zinc/81/91/86/453819186.db2.gz CKKLWRCFYFXTIZ-SOUVJXGZSA-N 2 1 328.501 1.514 20 0 EDADMP C[C@@H](CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+](C)C ZINC000663542543 453819214 /nfs/dbraw/zinc/81/92/14/453819214.db2.gz CKKLWRCFYFXTIZ-RRFJBIMHSA-N 2 1 328.501 1.514 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CCOCc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000384940344 486688062 /nfs/dbraw/zinc/68/80/62/486688062.db2.gz CKEAFYNRJALPBS-RTBURBONSA-N 2 1 345.487 1.783 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+](C(C)(C)CO)CC1)C1CCCCC1 ZINC000684162324 486701228 /nfs/dbraw/zinc/70/12/28/486701228.db2.gz ASCCTBCUUBKUOE-UHFFFAOYSA-N 2 1 325.497 1.556 20 0 EDADMP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676242565 486701830 /nfs/dbraw/zinc/70/18/30/486701830.db2.gz YDNKJMJEBKSHFW-HZPDHXFCSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676242565 486701835 /nfs/dbraw/zinc/70/18/35/486701835.db2.gz YDNKJMJEBKSHFW-HZPDHXFCSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1C[NH+](CCCCNc2nc(N3CCOCC3)cc[nH+]2)C[C@@H](C)O1 ZINC000676313920 486734447 /nfs/dbraw/zinc/73/44/47/486734447.db2.gz VAQFUPMPRIGARY-HZPDHXFCSA-N 2 1 349.479 1.615 20 0 EDADMP C[NH2+]CCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000417996497 486820489 /nfs/dbraw/zinc/82/04/89/486820489.db2.gz SLRLTJOWABLIGL-QZTJIDSGSA-N 2 1 346.475 1.834 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000667559958 486846760 /nfs/dbraw/zinc/84/67/60/486846760.db2.gz XIZYEFAINJHPPI-ZIAGYGMSSA-N 2 1 332.448 1.320 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000676698752 486844379 /nfs/dbraw/zinc/84/43/79/486844379.db2.gz PNSRWBBUSUXXQD-LPHOPBHVSA-N 2 1 348.535 1.678 20 0 EDADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)CC1 ZINC000676698752 486844386 /nfs/dbraw/zinc/84/43/86/486844386.db2.gz PNSRWBBUSUXXQD-LPHOPBHVSA-N 2 1 348.535 1.678 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)CC1 ZINC000676698752 486844393 /nfs/dbraw/zinc/84/43/93/486844393.db2.gz PNSRWBBUSUXXQD-LPHOPBHVSA-N 2 1 348.535 1.678 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000676698752 486844396 /nfs/dbraw/zinc/84/43/96/486844396.db2.gz PNSRWBBUSUXXQD-LPHOPBHVSA-N 2 1 348.535 1.678 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000676698752 486844402 /nfs/dbraw/zinc/84/44/02/486844402.db2.gz PNSRWBBUSUXXQD-LPHOPBHVSA-N 3 1 348.535 1.678 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000683910687 486862098 /nfs/dbraw/zinc/86/20/98/486862098.db2.gz KXNMYDBXFLQARX-IEBWSBKVSA-N 2 1 333.476 1.595 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000673050240 486895663 /nfs/dbraw/zinc/89/56/63/486895663.db2.gz MQVIZLCMMBOCHQ-OAHLLOKOSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000673050240 486895665 /nfs/dbraw/zinc/89/56/65/486895665.db2.gz MQVIZLCMMBOCHQ-OAHLLOKOSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000673050240 486895667 /nfs/dbraw/zinc/89/56/67/486895667.db2.gz MQVIZLCMMBOCHQ-OAHLLOKOSA-N 2 1 340.512 1.205 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000673656380 487079401 /nfs/dbraw/zinc/07/94/01/487079401.db2.gz WAUQVLWDVULIFV-MSOLQXFVSA-N 2 1 328.460 1.743 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000673656380 487079406 /nfs/dbraw/zinc/07/94/06/487079406.db2.gz WAUQVLWDVULIFV-MSOLQXFVSA-N 2 1 328.460 1.743 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000673640688 487074594 /nfs/dbraw/zinc/07/45/94/487074594.db2.gz JTFKPAFEXKCTTQ-WSTZPKSXSA-N 2 1 343.471 1.366 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000673640688 487074598 /nfs/dbraw/zinc/07/45/98/487074598.db2.gz JTFKPAFEXKCTTQ-WSTZPKSXSA-N 2 1 343.471 1.366 20 0 EDADMP COC1CC[NH+](CCNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000677485128 487099605 /nfs/dbraw/zinc/09/96/05/487099605.db2.gz QGMNFXMMVMFHRJ-SFHVURJKSA-N 2 1 346.475 1.583 20 0 EDADMP COC1CC[NH+](CCNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000677485128 487099608 /nfs/dbraw/zinc/09/96/08/487099608.db2.gz QGMNFXMMVMFHRJ-SFHVURJKSA-N 2 1 346.475 1.583 20 0 EDADMP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000673750152 487106925 /nfs/dbraw/zinc/10/69/25/487106925.db2.gz ACPVAACXHRMTQW-GOSISDBHSA-N 2 1 344.503 1.357 20 0 EDADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000673750152 487106929 /nfs/dbraw/zinc/10/69/29/487106929.db2.gz ACPVAACXHRMTQW-GOSISDBHSA-N 2 1 344.503 1.357 20 0 EDADMP CC(C)C[C@H]([NH2+]Cc1nn(C)c2ccccc12)C(=O)NCC[NH+](C)C ZINC000677521901 487110307 /nfs/dbraw/zinc/11/03/07/487110307.db2.gz WSFMWSHFEOQAST-INIZCTEOSA-N 2 1 345.491 1.755 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC)C1 ZINC000673775900 487110719 /nfs/dbraw/zinc/11/07/19/487110719.db2.gz FIEXCFYVJXOJSK-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)Oc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccn1 ZINC000675330343 487399019 /nfs/dbraw/zinc/39/90/19/487399019.db2.gz KEDGGJILVWASRA-INIZCTEOSA-N 2 1 346.475 1.767 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679506712 487433508 /nfs/dbraw/zinc/43/35/08/487433508.db2.gz XKCZAZGWCAKXJM-UHFFFAOYSA-N 2 1 344.419 1.054 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679506712 487433510 /nfs/dbraw/zinc/43/35/10/487433510.db2.gz XKCZAZGWCAKXJM-UHFFFAOYSA-N 2 1 344.419 1.054 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669288059 485522524 /nfs/dbraw/zinc/52/25/24/485522524.db2.gz OTQWXMWFHPBXOF-WMZOPIPTSA-N 2 1 328.460 1.438 20 0 EDADMP Cc1ccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)c(N2CCCC2)[nH+]1 ZINC000669555834 485557707 /nfs/dbraw/zinc/55/77/07/485557707.db2.gz JELQCBSJSZYIKT-MRXNPFEDSA-N 2 1 331.464 1.932 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000669021139 485567930 /nfs/dbraw/zinc/56/79/30/485567930.db2.gz HVWKFUWNJNEHHX-WBVHZDCISA-N 2 1 326.485 1.032 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000669561088 485568980 /nfs/dbraw/zinc/56/89/80/485568980.db2.gz FYXVOBNSWSRUDW-ATLSCFEFSA-N 2 1 346.475 1.265 20 0 EDADMP Cc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc(=O)n2c1 ZINC000324633149 485581718 /nfs/dbraw/zinc/58/17/18/485581718.db2.gz RNJQAXPWBILOJU-WBVHZDCISA-N 2 1 326.444 1.967 20 0 EDADMP Cc1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc(=O)n2c1 ZINC000324633149 485581725 /nfs/dbraw/zinc/58/17/25/485581725.db2.gz RNJQAXPWBILOJU-WBVHZDCISA-N 2 1 326.444 1.967 20 0 EDADMP [NH3+]C/C=C/CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000669570235 485588606 /nfs/dbraw/zinc/58/86/06/485588606.db2.gz DMHOGLRYYBJXBW-APHBUQMISA-N 2 1 334.489 1.418 20 0 EDADMP [NH3+]C/C=C/CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000669570235 485588614 /nfs/dbraw/zinc/58/86/14/485588614.db2.gz DMHOGLRYYBJXBW-APHBUQMISA-N 2 1 334.489 1.418 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)CC[NH+]2CCCC[C@H]2C)C[C@H]1C ZINC000458090422 485663507 /nfs/dbraw/zinc/66/35/07/485663507.db2.gz SOUXYNCJFYXCQB-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)CC[NH+]2CCCC[C@H]2C)C[C@H]1C ZINC000458090422 485663514 /nfs/dbraw/zinc/66/35/14/485663514.db2.gz SOUXYNCJFYXCQB-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2C)C[C@H]1C ZINC000458090422 485663517 /nfs/dbraw/zinc/66/35/17/485663517.db2.gz SOUXYNCJFYXCQB-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2C)C[C@H]1C ZINC000458090422 485663523 /nfs/dbraw/zinc/66/35/23/485663523.db2.gz SOUXYNCJFYXCQB-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)CC3([NH3+])CCC3)c2)CC1 ZINC000237196599 485957788 /nfs/dbraw/zinc/95/77/88/485957788.db2.gz KYWANPYZIWDGGF-UHFFFAOYSA-N 2 1 344.459 1.213 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000345071032 485958111 /nfs/dbraw/zinc/95/81/11/485958111.db2.gz BRBGHBDLHBKONR-JQHSSLGASA-N 2 1 337.508 1.534 20 0 EDADMP [NH3+]C/C=C\CNC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000669349087 485997946 /nfs/dbraw/zinc/99/79/46/485997946.db2.gz DGUVMMOJBASEIF-PLNGDYQASA-N 2 1 345.491 1.008 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[C@H]1[NH3+] ZINC000669405505 486076828 /nfs/dbraw/zinc/07/68/28/486076828.db2.gz GQXNAHNYZDCNOF-UKRRQHHQSA-N 2 1 336.505 1.875 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[N@H+]2CCc3sccc3C2)CC[C@H]1[NH3+] ZINC000669405505 486076831 /nfs/dbraw/zinc/07/68/31/486076831.db2.gz GQXNAHNYZDCNOF-UKRRQHHQSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@@H](NC(=O)NCC[N@@H+]1CCc2sccc2C1)[C@H]1CCC[NH2+]C1 ZINC000669405631 486076967 /nfs/dbraw/zinc/07/69/67/486076967.db2.gz ZGIBVYRAVBDCII-KGLIPLIRSA-N 2 1 336.505 1.794 20 0 EDADMP C[C@@H](NC(=O)NCC[N@H+]1CCc2sccc2C1)[C@H]1CCC[NH2+]C1 ZINC000669405631 486076969 /nfs/dbraw/zinc/07/69/69/486076969.db2.gz ZGIBVYRAVBDCII-KGLIPLIRSA-N 2 1 336.505 1.794 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC[C@H]1[NH3+] ZINC000668727769 486094670 /nfs/dbraw/zinc/09/46/70/486094670.db2.gz UKGVSQAAPNSRDI-OWCLPIDISA-N 2 1 326.485 1.112 20 0 EDADMP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000669482031 486245092 /nfs/dbraw/zinc/24/50/92/486245092.db2.gz OOQZSBLNETYMBL-SMDDNHRTSA-N 2 1 344.381 1.926 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000669486218 486251791 /nfs/dbraw/zinc/25/17/91/486251791.db2.gz FEVMXXBZAGEMHX-IKGGRYGDSA-N 2 1 340.512 1.565 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CCC2)c1ccccc1 ZINC000670406108 486449045 /nfs/dbraw/zinc/44/90/45/486449045.db2.gz GTOVHBIGPABWKY-ROUUACIJSA-N 2 1 330.476 1.186 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccccc1 ZINC000670406108 486449047 /nfs/dbraw/zinc/44/90/47/486449047.db2.gz GTOVHBIGPABWKY-ROUUACIJSA-N 2 1 330.476 1.186 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)c1ccccc1 ZINC000670406108 486449050 /nfs/dbraw/zinc/44/90/50/486449050.db2.gz GTOVHBIGPABWKY-ROUUACIJSA-N 2 1 330.476 1.186 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)CC2([NH3+])CCC2)CC1)Cc1ccccc1 ZINC000167703409 486482155 /nfs/dbraw/zinc/48/21/55/486482155.db2.gz DZOZMFJFCMXMFW-UHFFFAOYSA-N 2 1 344.503 1.534 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000382653030 486646906 /nfs/dbraw/zinc/64/69/06/486646906.db2.gz BYEGJNSHFODILV-HKUYNNGSSA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000382653030 486646908 /nfs/dbraw/zinc/64/69/08/486646908.db2.gz BYEGJNSHFODILV-HKUYNNGSSA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000382653030 486646911 /nfs/dbraw/zinc/64/69/11/486646911.db2.gz BYEGJNSHFODILV-HKUYNNGSSA-N 2 1 335.492 1.132 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000124190321 491209377 /nfs/dbraw/zinc/20/93/77/491209377.db2.gz UCHZCVXVJYVFMZ-UHFFFAOYSA-N 2 1 330.432 1.125 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000124190321 491209378 /nfs/dbraw/zinc/20/93/78/491209378.db2.gz UCHZCVXVJYVFMZ-UHFFFAOYSA-N 2 1 330.432 1.125 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000305694237 491243948 /nfs/dbraw/zinc/24/39/48/491243948.db2.gz BRBXAVQTXQLBPC-LZQZEXGQSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@H](O)C1CC1 ZINC000305694237 491243950 /nfs/dbraw/zinc/24/39/50/491243950.db2.gz BRBXAVQTXQLBPC-LZQZEXGQSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@H](O)C1CC1 ZINC000305694237 491243952 /nfs/dbraw/zinc/24/39/52/491243952.db2.gz BRBXAVQTXQLBPC-LZQZEXGQSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H](C[NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494787 490998447 /nfs/dbraw/zinc/99/84/47/490998447.db2.gz MAYSXIZMHNUGIO-SZMVWBNQSA-N 2 1 346.475 1.266 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H](C[NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494787 490998448 /nfs/dbraw/zinc/99/84/48/490998448.db2.gz MAYSXIZMHNUGIO-SZMVWBNQSA-N 2 1 346.475 1.266 20 0 EDADMP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000420371003 500766042 /nfs/dbraw/zinc/76/60/42/500766042.db2.gz WNRLGZGDNNUHEZ-OAHLLOKOSA-N 2 1 325.478 1.415 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@H+]1C ZINC000173744359 534095856 /nfs/dbraw/zinc/09/58/56/534095856.db2.gz FKBDUHVSUUXLIN-RDJZCZTQSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@@H+]1C ZINC000173744359 534095863 /nfs/dbraw/zinc/09/58/63/534095863.db2.gz FKBDUHVSUUXLIN-RDJZCZTQSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@H+]1C ZINC000173744359 534095874 /nfs/dbraw/zinc/09/58/74/534095874.db2.gz FKBDUHVSUUXLIN-RDJZCZTQSA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)(C)[NH+]1CCC(NC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000352671898 534665430 /nfs/dbraw/zinc/66/54/30/534665430.db2.gz AOULONJAFLQDOU-UHFFFAOYSA-N 2 1 328.526 1.597 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173949940 529201453 /nfs/dbraw/zinc/20/14/53/529201453.db2.gz CBUAVPZJMYWNLO-HNNXBMFYSA-N 2 1 336.484 1.831 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CCO)CCOC)CC1 ZINC000093005833 534935644 /nfs/dbraw/zinc/93/56/44/534935644.db2.gz IJMHUUAMVWIEQE-UHFFFAOYSA-N 2 1 335.492 1.659 20 0 EDADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)C1 ZINC000271727411 534948944 /nfs/dbraw/zinc/94/89/44/534948944.db2.gz BNVYPJXCQJZSEI-KGLIPLIRSA-N 2 1 325.478 1.717 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)C1 ZINC000271727411 534948947 /nfs/dbraw/zinc/94/89/47/534948947.db2.gz BNVYPJXCQJZSEI-KGLIPLIRSA-N 2 1 325.478 1.717 20 0 EDADMP CC[NH+](CC)CCNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000077826598 535536825 /nfs/dbraw/zinc/53/68/25/535536825.db2.gz HQOVQYQXHIYJTK-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072823983 535584581 /nfs/dbraw/zinc/58/45/81/535584581.db2.gz ODAHUEHYWUIQCI-HNNXBMFYSA-N 2 1 346.475 1.778 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c[nH]nc3C)CC2)CC1 ZINC000093142052 535614001 /nfs/dbraw/zinc/61/40/01/535614001.db2.gz OXFNLFWFWGJIBT-UHFFFAOYSA-N 2 1 333.480 1.484 20 0 EDADMP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352708089 536056621 /nfs/dbraw/zinc/05/66/21/536056621.db2.gz VAYZBOHSMCAKSR-BLLLJJGKSA-N 2 1 335.477 1.806 20 0 EDADMP Cn1nccc1[C@H]1OCC[C@@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352708092 536058195 /nfs/dbraw/zinc/05/81/95/536058195.db2.gz VAYZBOHSMCAKSR-WBMJQRKESA-N 2 1 335.477 1.806 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cccc(C(F)(F)F)c1 ZINC000262251113 536304613 /nfs/dbraw/zinc/30/46/13/536304613.db2.gz WXJHPXFWLOWONH-UHFFFAOYSA-N 2 1 329.366 1.959 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000346895727 536370856 /nfs/dbraw/zinc/37/08/56/536370856.db2.gz ZMMGRKLGZBKSAR-AYBZRNKSSA-N 2 1 328.460 1.960 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000346895727 536370858 /nfs/dbraw/zinc/37/08/58/536370858.db2.gz ZMMGRKLGZBKSAR-AYBZRNKSSA-N 2 1 328.460 1.960 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000237201546 536406824 /nfs/dbraw/zinc/40/68/24/536406824.db2.gz JHWKFJUZRXSTAB-GOSISDBHSA-N 2 1 330.432 1.012 20 0 EDADMP C[NH2+][C@H]1CCCN(CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000261737392 536411702 /nfs/dbraw/zinc/41/17/02/536411702.db2.gz KFZCXLKBJXJFHI-IBGZPJMESA-N 2 1 344.503 1.323 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000097257367 536788084 /nfs/dbraw/zinc/78/80/84/536788084.db2.gz PNURYVLRGDCGPS-MRXNPFEDSA-N 2 1 342.528 1.764 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000097257367 536788087 /nfs/dbraw/zinc/78/80/87/536788087.db2.gz PNURYVLRGDCGPS-MRXNPFEDSA-N 2 1 342.528 1.764 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000097257367 536788094 /nfs/dbraw/zinc/78/80/94/536788094.db2.gz PNURYVLRGDCGPS-MRXNPFEDSA-N 2 1 342.528 1.764 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+]1CCCCC1 ZINC000741212287 579401299 /nfs/dbraw/zinc/40/12/99/579401299.db2.gz ICGAPMPSSCJRJZ-IEBWSBKVSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+]1CCCCC1 ZINC000741212287 579401300 /nfs/dbraw/zinc/40/13/00/579401300.db2.gz ICGAPMPSSCJRJZ-IEBWSBKVSA-N 2 1 345.487 1.878 20 0 EDADMP COc1cccc(COC[C@@H](O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000741384483 579413958 /nfs/dbraw/zinc/41/39/58/579413958.db2.gz BXZRTTSWQBUWDY-ROUUACIJSA-N 2 1 336.476 1.846 20 0 EDADMP COc1cccc(COC[C@@H](O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000741384483 579413960 /nfs/dbraw/zinc/41/39/60/579413960.db2.gz BXZRTTSWQBUWDY-ROUUACIJSA-N 2 1 336.476 1.846 20 0 EDADMP COc1cccc(COC[C@@H](O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000741384483 579413962 /nfs/dbraw/zinc/41/39/62/579413962.db2.gz BXZRTTSWQBUWDY-ROUUACIJSA-N 2 1 336.476 1.846 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000744423666 579510268 /nfs/dbraw/zinc/51/02/68/579510268.db2.gz NAQJSZNYYKABHH-HNNXBMFYSA-N 2 1 325.478 1.150 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000744423666 579510269 /nfs/dbraw/zinc/51/02/69/579510269.db2.gz NAQJSZNYYKABHH-HNNXBMFYSA-N 2 1 325.478 1.150 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000744423666 579510270 /nfs/dbraw/zinc/51/02/70/579510270.db2.gz NAQJSZNYYKABHH-HNNXBMFYSA-N 2 1 325.478 1.150 20 0 EDADMP C[C@@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000742195666 579439520 /nfs/dbraw/zinc/43/95/20/579439520.db2.gz IMLLJMCMRFCTSG-GOSISDBHSA-N 2 1 344.503 1.751 20 0 EDADMP C[C@@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000742195666 579439521 /nfs/dbraw/zinc/43/95/21/579439521.db2.gz IMLLJMCMRFCTSG-GOSISDBHSA-N 2 1 344.503 1.751 20 0 EDADMP CCOC(=O)N[C@H]1CCCN(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000726796623 578361664 /nfs/dbraw/zinc/36/16/64/578361664.db2.gz IDPVIFVGBRYCBA-ROUUACIJSA-N 2 1 349.475 1.690 20 0 EDADMP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccccc1 ZINC000729515342 578580211 /nfs/dbraw/zinc/58/02/11/578580211.db2.gz CBSJODXXVNYSSB-GOSISDBHSA-N 2 1 346.475 1.135 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=S)NCC2CC[NH+](C)CC2)CCCO1 ZINC000761551516 580059140 /nfs/dbraw/zinc/05/91/40/580059140.db2.gz RAOCAGXMKORVBM-HNNXBMFYSA-N 2 1 342.553 1.293 20 0 EDADMP CCN(CC)C(=O)C1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCCC1 ZINC000749324253 579721639 /nfs/dbraw/zinc/72/16/39/579721639.db2.gz LHGFWZKFJKZWFE-INIZCTEOSA-N 2 1 325.497 1.604 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000749546249 579730007 /nfs/dbraw/zinc/73/00/07/579730007.db2.gz BKVKEKWYJVRUIV-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COc1cc(C)on1 ZINC000750735145 579778927 /nfs/dbraw/zinc/77/89/27/579778927.db2.gz UCQZGPUDBSEPTB-OAHLLOKOSA-N 2 1 338.452 1.236 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000750855481 579784213 /nfs/dbraw/zinc/78/42/13/579784213.db2.gz VFGYOCFMTZKRFU-UHFFFAOYSA-N 2 1 345.487 1.752 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000750855481 579784214 /nfs/dbraw/zinc/78/42/14/579784214.db2.gz VFGYOCFMTZKRFU-UHFFFAOYSA-N 2 1 345.487 1.752 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCSCC1 ZINC000750879412 579785477 /nfs/dbraw/zinc/78/54/77/579785477.db2.gz RIFDDGDJXXHUBB-GOEBONIOSA-N 2 1 341.521 1.183 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000755781111 579934873 /nfs/dbraw/zinc/93/48/73/579934873.db2.gz SLJDUFARXFEBKI-OAHLLOKOSA-N 2 1 327.428 1.904 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000755781111 579934874 /nfs/dbraw/zinc/93/48/74/579934874.db2.gz SLJDUFARXFEBKI-OAHLLOKOSA-N 2 1 327.428 1.904 20 0 EDADMP O=C1C[C@H](C2CC2)CN1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000762495558 580075797 /nfs/dbraw/zinc/07/57/97/580075797.db2.gz OFFBIQDKWNWYJI-SFHVURJKSA-N 2 1 335.492 1.637 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@@H](C)CO)cc2)CC1 ZINC000767471571 580190657 /nfs/dbraw/zinc/19/06/57/580190657.db2.gz YPFLRVNKONIHRJ-HNNXBMFYSA-N 2 1 334.464 1.080 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@@H](C)CO)cc2)CC1 ZINC000767471571 580190658 /nfs/dbraw/zinc/19/06/58/580190658.db2.gz YPFLRVNKONIHRJ-HNNXBMFYSA-N 2 1 334.464 1.080 20 0 EDADMP Cn1cncc1[C@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000783984691 580610226 /nfs/dbraw/zinc/61/02/26/580610226.db2.gz OFWCHCBMRKFQET-KRWDZBQOSA-N 2 1 345.491 1.501 20 0 EDADMP C[NH+](C)CCCNC(=S)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794992153 580910213 /nfs/dbraw/zinc/91/02/13/580910213.db2.gz VVUCRNYNXRNGKQ-QGZVFWFLSA-N 2 1 334.533 1.924 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCCCCC[NH+](C)C)[C@@H](C)C1 ZINC000806541243 590636486 /nfs/dbraw/zinc/63/64/86/590636486.db2.gz HUYRDXFRRXXBAS-DLBZAZTESA-N 2 1 342.528 1.595 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891864613 590661329 /nfs/dbraw/zinc/66/13/29/590661329.db2.gz GXMCOSILQDJBJE-KURKYZTESA-N 2 1 328.460 1.654 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](C)C[NH3+])C1 ZINC000892043970 590768748 /nfs/dbraw/zinc/76/87/48/590768748.db2.gz FBZWHORWRRLWAB-WMLDXEAASA-N 2 1 334.464 1.090 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](C)C[NH3+])C1 ZINC000892043970 590768750 /nfs/dbraw/zinc/76/87/50/590768750.db2.gz FBZWHORWRRLWAB-WMLDXEAASA-N 2 1 334.464 1.090 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000892049757 590772800 /nfs/dbraw/zinc/77/28/00/590772800.db2.gz YNLWJZMFNHMBCP-OLMNPRSZSA-N 2 1 330.476 1.791 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)C2)cc1 ZINC000892150697 590823357 /nfs/dbraw/zinc/82/33/57/590823357.db2.gz KQWOBCNBYIPCLO-LSDHHAIUSA-N 2 1 340.418 1.851 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000890879809 590828947 /nfs/dbraw/zinc/82/89/47/590828947.db2.gz GEUXOYGBQVAZCD-UHFFFAOYSA-N 2 1 340.556 1.839 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000892183842 590851789 /nfs/dbraw/zinc/85/17/89/590851789.db2.gz LNCSFMSAWXGBEL-NVXWUHKLSA-N 2 1 332.448 1.063 20 0 EDADMP CN1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC[N@@H+](C)CC1 ZINC000888980801 590902840 /nfs/dbraw/zinc/90/28/40/590902840.db2.gz QDNCXETXGXGLLM-UHFFFAOYSA-N 2 1 343.475 1.610 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3COC[C@H]3C3CC3)CC2)CC1 ZINC000891037391 590924180 /nfs/dbraw/zinc/92/41/80/590924180.db2.gz CPQPBJKZUNHZLE-RBUKOAKNSA-N 2 1 349.519 1.724 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892340455 590968613 /nfs/dbraw/zinc/96/86/13/590968613.db2.gz TZCFSTGZSFIVMS-HKUYNNGSSA-N 2 1 342.487 1.958 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NCc2cccc3c2CC[NH2+]C3)CC[N@H+]1C ZINC000892343937 590972157 /nfs/dbraw/zinc/97/21/57/590972157.db2.gz XJACEELBZKELBE-YOEHRIQHSA-N 2 1 330.476 1.956 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000892434393 591027538 /nfs/dbraw/zinc/02/75/38/591027538.db2.gz YVUKWDKJPKDDBY-NXHRZFHOSA-N 2 1 332.492 1.971 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)c1 ZINC000892490149 591046408 /nfs/dbraw/zinc/04/64/08/591046408.db2.gz NUYMIPHKARIVJW-MSOLQXFVSA-N 2 1 330.476 1.984 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000892490149 591046412 /nfs/dbraw/zinc/04/64/12/591046412.db2.gz NUYMIPHKARIVJW-MSOLQXFVSA-N 2 1 330.476 1.984 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000892490149 591046415 /nfs/dbraw/zinc/04/64/15/591046415.db2.gz NUYMIPHKARIVJW-MSOLQXFVSA-N 2 1 330.476 1.984 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000891339446 591049488 /nfs/dbraw/zinc/04/94/88/591049488.db2.gz ATBWOLGKHPSEEY-INIZCTEOSA-N 2 1 339.528 1.090 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891347027 591053071 /nfs/dbraw/zinc/05/30/71/591053071.db2.gz FQZHGODSYCMSPQ-MSOLQXFVSA-N 2 1 328.460 1.581 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000892530508 591059975 /nfs/dbraw/zinc/05/99/75/591059975.db2.gz PXIDVNCHCFUQFE-SFHVURJKSA-N 2 1 348.491 1.447 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000892530196 591061481 /nfs/dbraw/zinc/06/14/81/591061481.db2.gz KOXOHADEDXZSOK-ZWKOTPCHSA-N 2 1 330.476 1.963 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000893743641 591072788 /nfs/dbraw/zinc/07/27/88/591072788.db2.gz QRZZERNVBZFELF-PVAVHDDUSA-N 2 1 338.496 1.005 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CCS(=O)CC3)cc2)CC1 ZINC000892577262 591078690 /nfs/dbraw/zinc/07/86/90/591078690.db2.gz QKRPQBYRWCRKAY-UHFFFAOYSA-N 2 1 335.517 1.435 20 0 EDADMP CC(C)[NH+](CCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C(C)C ZINC000891477292 591084990 /nfs/dbraw/zinc/08/49/90/591084990.db2.gz GSHRQYICBQNYHV-DLBZAZTESA-N 2 1 340.512 1.346 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000892808049 591186682 /nfs/dbraw/zinc/18/66/82/591186682.db2.gz IGWRGFSYEQJODE-GOSISDBHSA-N 2 1 346.475 1.065 20 0 EDADMP CCN(C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000891799255 591227568 /nfs/dbraw/zinc/22/75/68/591227568.db2.gz PNOKZJRRTZIGMW-RYQLBKOJSA-N 2 1 330.476 1.900 20 0 EDADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n[nH]1 ZINC000895796243 591275150 /nfs/dbraw/zinc/27/51/50/591275150.db2.gz JUFAKSHNVOTFPO-YOEHRIQHSA-N 2 1 331.464 1.877 20 0 EDADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n[nH]1 ZINC000895796243 591275152 /nfs/dbraw/zinc/27/51/52/591275152.db2.gz JUFAKSHNVOTFPO-YOEHRIQHSA-N 2 1 331.464 1.877 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000895851546 591287854 /nfs/dbraw/zinc/28/78/54/591287854.db2.gz ZFROEKIIBZRGBE-LZQZEXGQSA-N 2 1 343.471 1.659 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21)CCC(F)(F)F ZINC000894428823 591309495 /nfs/dbraw/zinc/30/94/95/591309495.db2.gz SGBCBQQCBYBSLP-STQMWFEESA-N 2 1 336.402 1.606 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)CCC(F)(F)F ZINC000894428823 591309499 /nfs/dbraw/zinc/30/94/99/591309499.db2.gz SGBCBQQCBYBSLP-STQMWFEESA-N 2 1 336.402 1.606 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)CCC(F)(F)F ZINC000894428823 591309502 /nfs/dbraw/zinc/30/95/02/591309502.db2.gz SGBCBQQCBYBSLP-STQMWFEESA-N 2 1 336.402 1.606 20 0 EDADMP CN(CCC[N@@H+](C)[C@@H]1CCC2(C[C@H]1F)OCCO2)CC[NH+](C)C ZINC000894523778 591332597 /nfs/dbraw/zinc/33/25/97/591332597.db2.gz NBXHHLIOSQNMRC-HZPDHXFCSA-N 2 1 331.476 1.435 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)C1 ZINC000897470736 591473748 /nfs/dbraw/zinc/47/37/48/591473748.db2.gz HVMVQXATNQDBBF-DOTOQJQBSA-N 2 1 343.475 1.917 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1c[nH]cc2ncnc1-2 ZINC000896624922 591552946 /nfs/dbraw/zinc/55/29/46/591552946.db2.gz SNADTMXQAJDFRR-UHFFFAOYSA-N 2 1 332.452 1.304 20 0 EDADMP CN1CCC[C@H]1c1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[nH]n1 ZINC000897577489 591564727 /nfs/dbraw/zinc/56/47/27/591564727.db2.gz XLVXWXOMZYIHPF-PBHICJAKSA-N 2 1 331.464 1.923 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC000896959976 591691755 /nfs/dbraw/zinc/69/17/55/591691755.db2.gz RMMDBKSJVZVJNT-RHSMWYFYSA-N 2 1 333.480 1.884 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](c4nccs4)C3)cn2)CC1 ZINC000895579985 591812973 /nfs/dbraw/zinc/81/29/73/591812973.db2.gz CVHQILKUMFDQEU-HNNXBMFYSA-N 2 1 344.488 1.674 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](c4nccs4)C3)cn2)CC1 ZINC000895579985 591812976 /nfs/dbraw/zinc/81/29/76/591812976.db2.gz CVHQILKUMFDQEU-HNNXBMFYSA-N 2 1 344.488 1.674 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000899958519 591844053 /nfs/dbraw/zinc/84/40/53/591844053.db2.gz VBZAHZGKJXLMRE-QFBILLFUSA-N 2 1 349.475 1.770 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000898298446 591863059 /nfs/dbraw/zinc/86/30/59/591863059.db2.gz MNQMIFFLRLYJJP-KRWDZBQOSA-N 2 1 326.400 1.906 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000898298446 591863062 /nfs/dbraw/zinc/86/30/62/591863062.db2.gz MNQMIFFLRLYJJP-KRWDZBQOSA-N 2 1 326.400 1.906 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000900012752 591863091 /nfs/dbraw/zinc/86/30/91/591863091.db2.gz KCUKVIPAXXBCFT-INIZCTEOSA-N 2 1 341.496 1.497 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000900012752 591863094 /nfs/dbraw/zinc/86/30/94/591863094.db2.gz KCUKVIPAXXBCFT-INIZCTEOSA-N 2 1 341.496 1.497 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(C(F)F)[nH]n2)CC1 ZINC000900339577 591988964 /nfs/dbraw/zinc/98/89/64/591988964.db2.gz PRALOLRDPZHXIO-UHFFFAOYSA-N 2 1 336.346 1.746 20 0 EDADMP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000900351296 591992749 /nfs/dbraw/zinc/99/27/49/591992749.db2.gz YNCGXPCEJBBXMY-HKUYNNGSSA-N 2 1 331.460 1.719 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000900351296 591992752 /nfs/dbraw/zinc/99/27/52/591992752.db2.gz YNCGXPCEJBBXMY-HKUYNNGSSA-N 2 1 331.460 1.719 20 0 EDADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900416677 592013303 /nfs/dbraw/zinc/01/33/03/592013303.db2.gz CHXAYEYYWKYHHX-LJQANCHMSA-N 2 1 333.476 1.424 20 0 EDADMP CN1CCC([NH+]2CCC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)CC1 ZINC000900446591 592020001 /nfs/dbraw/zinc/02/00/01/592020001.db2.gz PHZIRMWSFPRXJL-RBUKOAKNSA-N 2 1 348.535 1.678 20 0 EDADMP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC000900446589 592020367 /nfs/dbraw/zinc/02/03/67/592020367.db2.gz PHZIRMWSFPRXJL-MOPGFXCFSA-N 2 1 348.535 1.678 20 0 EDADMP CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000902805556 592063309 /nfs/dbraw/zinc/06/33/09/592063309.db2.gz BKRIWZYIUZIDOU-OKZBNKHCSA-N 2 1 325.497 1.330 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC000900596586 592063806 /nfs/dbraw/zinc/06/38/06/592063806.db2.gz JLZAPLLLVXUNJY-UHFFFAOYSA-N 2 1 345.491 1.423 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC000900596586 592063807 /nfs/dbraw/zinc/06/38/07/592063807.db2.gz JLZAPLLLVXUNJY-UHFFFAOYSA-N 2 1 345.491 1.423 20 0 EDADMP CN(Cc1ccccc1)C(=O)CONC(=[NH2+])[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902807963 592064002 /nfs/dbraw/zinc/06/40/02/592064002.db2.gz YGDHNQLGZXEKGX-JKSUJKDBSA-N 2 1 346.431 1.007 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900656350 592082511 /nfs/dbraw/zinc/08/25/11/592082511.db2.gz KFLITXZPCZIKSC-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000900656350 592082514 /nfs/dbraw/zinc/08/25/14/592082514.db2.gz KFLITXZPCZIKSC-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000900656350 592082518 /nfs/dbraw/zinc/08/25/18/592082518.db2.gz KFLITXZPCZIKSC-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000900708284 592101118 /nfs/dbraw/zinc/10/11/18/592101118.db2.gz IDQDGNZOEMABPK-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CON(C)C(=O)[C@H](CCSC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903127000 592124686 /nfs/dbraw/zinc/12/46/86/592124686.db2.gz VSRZMXAJOOFAIE-WDVRLDOZSA-N 2 1 341.521 1.875 20 0 EDADMP CON(C)C(=O)[C@H](CCSC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903127000 592124688 /nfs/dbraw/zinc/12/46/88/592124688.db2.gz VSRZMXAJOOFAIE-WDVRLDOZSA-N 2 1 341.521 1.875 20 0 EDADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)CC1(C)C ZINC000903237005 592142192 /nfs/dbraw/zinc/14/21/92/592142192.db2.gz SSNDUIDZPXERPC-LLVKDONJSA-N 2 1 348.369 1.474 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)CC1(C)C ZINC000903237005 592142196 /nfs/dbraw/zinc/14/21/96/592142196.db2.gz SSNDUIDZPXERPC-LLVKDONJSA-N 2 1 348.369 1.474 20 0 EDADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCCN3CCSC[C@H]23)CC1 ZINC000903269791 592149190 /nfs/dbraw/zinc/14/91/90/592149190.db2.gz BORJBRAKOVAITE-OKZBNKHCSA-N 2 1 339.549 1.799 20 0 EDADMP C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903432650 592168840 /nfs/dbraw/zinc/16/88/40/592168840.db2.gz ITQKIQPQEHQIBA-CABCVRRESA-N 2 1 340.489 1.918 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nnc(C3CC3)n1C1CC1)C2 ZINC000903492957 592185656 /nfs/dbraw/zinc/18/56/56/592185656.db2.gz MUYLPFMKSVGAOH-JCGVRSQUSA-N 2 1 345.447 1.203 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1nnc(C3CC3)n1C1CC1)C2 ZINC000903492957 592185658 /nfs/dbraw/zinc/18/56/58/592185658.db2.gz MUYLPFMKSVGAOH-JCGVRSQUSA-N 2 1 345.447 1.203 20 0 EDADMP C[C@H]1CCC[C@H](C)N1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511064 592190479 /nfs/dbraw/zinc/19/04/79/592190479.db2.gz NBBLPSQPIQHGMM-PBWTXFEYSA-N 2 1 348.535 1.677 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC000901025815 592203149 /nfs/dbraw/zinc/20/31/49/592203149.db2.gz KWTNKUQTZFPYTB-KPFFTGBYSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000901025815 592203151 /nfs/dbraw/zinc/20/31/51/592203151.db2.gz KWTNKUQTZFPYTB-KPFFTGBYSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000901025815 592203153 /nfs/dbraw/zinc/20/31/53/592203153.db2.gz KWTNKUQTZFPYTB-KPFFTGBYSA-N 2 1 345.487 1.612 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NC3CC([NH+](C)C)C3)CC2)cs1 ZINC000908009924 592261533 /nfs/dbraw/zinc/26/15/33/592261533.db2.gz MTZUEMFGWOSRCN-UHFFFAOYSA-N 2 1 336.505 1.872 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000904511112 592274714 /nfs/dbraw/zinc/27/47/14/592274714.db2.gz VNCWXZXJDSBJTE-QZTJIDSGSA-N 2 1 346.475 1.859 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@@H]1C ZINC000904582443 592286768 /nfs/dbraw/zinc/28/67/68/592286768.db2.gz OMENXEWGYSWYDW-UONOGXRCSA-N 2 1 334.464 1.799 20 0 EDADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000903729410 592286897 /nfs/dbraw/zinc/28/68/97/592286897.db2.gz MGPASISCJDMILU-STQMWFEESA-N 2 1 349.397 1.240 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000904599432 592292338 /nfs/dbraw/zinc/29/23/38/592292338.db2.gz ZFMDJDYQBVOSFH-MRXNPFEDSA-N 2 1 334.464 1.849 20 0 EDADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000903745609 592292690 /nfs/dbraw/zinc/29/26/90/592292690.db2.gz LELHSHKSLLCGAD-ARFHVFGLSA-N 2 1 346.475 1.563 20 0 EDADMP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000903745609 592292693 /nfs/dbraw/zinc/29/26/93/592292693.db2.gz LELHSHKSLLCGAD-ARFHVFGLSA-N 2 1 346.475 1.563 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCOC1CCSCC1 ZINC000903745865 592293378 /nfs/dbraw/zinc/29/33/78/592293378.db2.gz AQEOLPDJQLTTSR-CQSZACIVSA-N 2 1 329.510 1.218 20 0 EDADMP C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C[C@@H]1Cc1ccccc1 ZINC000908086652 592294740 /nfs/dbraw/zinc/29/47/40/592294740.db2.gz YOSRRFGEAXSMJF-AZUAARDMSA-N 2 1 345.487 1.219 20 0 EDADMP C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)C[C@@H]1Cc1ccccc1 ZINC000908086652 592294744 /nfs/dbraw/zinc/29/47/44/592294744.db2.gz YOSRRFGEAXSMJF-AZUAARDMSA-N 2 1 345.487 1.219 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000908086652 592294748 /nfs/dbraw/zinc/29/47/48/592294748.db2.gz YOSRRFGEAXSMJF-AZUAARDMSA-N 2 1 345.487 1.219 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000908086652 592294752 /nfs/dbraw/zinc/29/47/52/592294752.db2.gz YOSRRFGEAXSMJF-AZUAARDMSA-N 2 1 345.487 1.219 20 0 EDADMP C([C@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCOCC1 ZINC000903735873 592299307 /nfs/dbraw/zinc/29/93/07/592299307.db2.gz DVKGXFMGZHHEPT-QZTJIDSGSA-N 2 1 337.508 1.332 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000906741822 592306448 /nfs/dbraw/zinc/30/64/48/592306448.db2.gz XIMVZSPGBAWBPD-IRXDYDNUSA-N 2 1 337.508 1.726 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCC[C@H](C(F)(F)F)O3)C2)nn1 ZINC000903760988 592307868 /nfs/dbraw/zinc/30/78/68/592307868.db2.gz MKXGYWUBFAADRY-HZSPNIEDSA-N 2 1 347.385 1.874 20 0 EDADMP CCC[C@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000903755414 592313973 /nfs/dbraw/zinc/31/39/73/592313973.db2.gz GTZVNZJGTYXGKY-ROUUACIJSA-N 2 1 339.524 1.578 20 0 EDADMP CCC[C@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1CCOC ZINC000903755414 592313975 /nfs/dbraw/zinc/31/39/75/592313975.db2.gz GTZVNZJGTYXGKY-ROUUACIJSA-N 2 1 339.524 1.578 20 0 EDADMP CCC[C@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1CCOC ZINC000903755414 592313980 /nfs/dbraw/zinc/31/39/80/592313980.db2.gz GTZVNZJGTYXGKY-ROUUACIJSA-N 2 1 339.524 1.578 20 0 EDADMP [NH3+]CC1(c2ccccc2)CC[NH+](CC(=O)NCC(F)(F)F)CC1 ZINC000903793712 592317350 /nfs/dbraw/zinc/31/73/50/592317350.db2.gz IZCXBGPXEPDRFH-UHFFFAOYSA-N 2 1 329.366 1.657 20 0 EDADMP COCC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)CC1CC[NH+](C)CC1 ZINC000903776800 592319600 /nfs/dbraw/zinc/31/96/00/592319600.db2.gz WFBOUVSTZPRTGN-GOSISDBHSA-N 3 1 339.524 1.435 20 0 EDADMP [NH3+]Cc1cn([C@H]2CC[N@@H+](CCOc3ccc(F)c(Cl)c3)C2)nn1 ZINC000903778604 592319615 /nfs/dbraw/zinc/31/96/15/592319615.db2.gz OZOPWJITIQQTNI-LBPRGKRZSA-N 2 1 339.802 1.855 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CCC3(CCC[N@H+]3C)CC2)CC1 ZINC000901300297 592321189 /nfs/dbraw/zinc/32/11/89/592321189.db2.gz FJJZIAZGGCXBKA-UHFFFAOYSA-N 2 1 336.524 1.489 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC3(CCC[N@@H+]3C)CC2)CC1 ZINC000901300297 592321194 /nfs/dbraw/zinc/32/11/94/592321194.db2.gz FJJZIAZGGCXBKA-UHFFFAOYSA-N 2 1 336.524 1.489 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC3(CCC[N@H+]3C)CC2)CC1 ZINC000901300297 592321201 /nfs/dbraw/zinc/32/12/01/592321201.db2.gz FJJZIAZGGCXBKA-UHFFFAOYSA-N 2 1 336.524 1.489 20 0 EDADMP [NH3+]C[C@@]12CC[C@H]1CCN2CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000903856520 592348119 /nfs/dbraw/zinc/34/81/19/592348119.db2.gz RPQZHSYJEQKAPM-ICSRJNTNSA-N 2 1 342.487 1.144 20 0 EDADMP CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903888867 592350850 /nfs/dbraw/zinc/35/08/50/592350850.db2.gz LYQAHYQKKUSWIC-IRXDYDNUSA-N 2 1 349.523 1.474 20 0 EDADMP CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903889645 592351765 /nfs/dbraw/zinc/35/17/65/592351765.db2.gz UUGZWUGSMRFVOT-JKSUJKDBSA-N 2 1 335.496 1.084 20 0 EDADMP CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903882694 592361791 /nfs/dbraw/zinc/36/17/91/592361791.db2.gz AELAROHADDDXGO-WTXIUTQJSA-N 2 1 329.510 1.311 20 0 EDADMP COc1ccccc1OCC[N@@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903884610 592362570 /nfs/dbraw/zinc/36/25/70/592362570.db2.gz DWSRGSVKCGNTHL-MRXNPFEDSA-N 2 1 346.475 1.865 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H](NC(=O)C(C)(C)C)C2)cnn1C ZINC000903892894 592366400 /nfs/dbraw/zinc/36/64/00/592366400.db2.gz XPWPZMLRKKDCSH-WBVHZDCISA-N 2 1 349.523 1.473 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H](NC(=O)C(C)(C)C)C2)cnn1C ZINC000903892894 592366404 /nfs/dbraw/zinc/36/64/04/592366404.db2.gz XPWPZMLRKKDCSH-WBVHZDCISA-N 2 1 349.523 1.473 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000903902571 592372106 /nfs/dbraw/zinc/37/21/06/592372106.db2.gz JTYQGUSQMLJKTP-JKSUJKDBSA-N 2 1 349.479 1.220 20 0 EDADMP COCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903920598 592377000 /nfs/dbraw/zinc/37/70/00/592377000.db2.gz KDAQHSLSJCRCNB-MRXNPFEDSA-N 2 1 327.432 1.695 20 0 EDADMP c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000903920679 592377495 /nfs/dbraw/zinc/37/74/95/592377495.db2.gz KTHWQYNZRHIVGP-INIZCTEOSA-N 3 1 329.488 1.923 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905047681 592378873 /nfs/dbraw/zinc/37/88/73/592378873.db2.gz VGIBHZLFZDMNPF-XDNAFOTISA-N 2 1 328.497 1.237 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000903933879 592386619 /nfs/dbraw/zinc/38/66/19/592386619.db2.gz XOWVHSQDEYVZPT-DLBZAZTESA-N 3 1 332.496 1.414 20 0 EDADMP COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903915750 592388568 /nfs/dbraw/zinc/38/85/68/592388568.db2.gz PVVVTVPISHNZSI-MAUKXSAKSA-N 2 1 334.460 1.178 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960112 592391516 /nfs/dbraw/zinc/39/15/16/592391516.db2.gz XGTISQNFIZNVQL-LJQANCHMSA-N 2 1 347.507 1.531 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960112 592391520 /nfs/dbraw/zinc/39/15/20/592391520.db2.gz XGTISQNFIZNVQL-LJQANCHMSA-N 2 1 347.507 1.531 20 0 EDADMP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000905058402 592395558 /nfs/dbraw/zinc/39/55/58/592395558.db2.gz FWTQTGCTCIJPMK-JTDSTZFVSA-N 2 1 338.492 1.935 20 0 EDADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000903955378 592396034 /nfs/dbraw/zinc/39/60/34/592396034.db2.gz QHAXKUZPYOQJFP-LLVKDONJSA-N 2 1 332.420 1.314 20 0 EDADMP COc1c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c(C)nn1C ZINC000903980609 592401451 /nfs/dbraw/zinc/40/14/51/592401451.db2.gz VSWNDVQRZMLVQD-IYBDPMFKSA-N 2 1 333.480 1.138 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1(O)CCCC1 ZINC000905098494 592404579 /nfs/dbraw/zinc/40/45/79/592404579.db2.gz SWBPVCLQJLLHFO-OALUTQOASA-N 2 1 332.488 1.807 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000908259052 592409788 /nfs/dbraw/zinc/40/97/88/592409788.db2.gz RIGREUSRVAMNEN-QGZVFWFLSA-N 2 1 326.529 1.639 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000908259052 592409792 /nfs/dbraw/zinc/40/97/92/592409792.db2.gz RIGREUSRVAMNEN-QGZVFWFLSA-N 2 1 326.529 1.639 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000908259052 592409795 /nfs/dbraw/zinc/40/97/95/592409795.db2.gz RIGREUSRVAMNEN-QGZVFWFLSA-N 2 1 326.529 1.639 20 0 EDADMP OCC1(C[C@H](O)C[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCCC1 ZINC000905092841 592419048 /nfs/dbraw/zinc/41/90/48/592419048.db2.gz GGCVAKSGJRFNMI-KRWDZBQOSA-N 2 1 340.508 1.525 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)CC1 ZINC000908290059 592433435 /nfs/dbraw/zinc/43/34/35/592433435.db2.gz CIXZIMOGJVMNIG-ZWKOTPCHSA-N 2 1 336.524 1.203 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CC1 ZINC000908290059 592433436 /nfs/dbraw/zinc/43/34/36/592433436.db2.gz CIXZIMOGJVMNIG-ZWKOTPCHSA-N 2 1 336.524 1.203 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)CC1 ZINC000908290059 592433441 /nfs/dbraw/zinc/43/34/41/592433441.db2.gz CIXZIMOGJVMNIG-ZWKOTPCHSA-N 2 1 336.524 1.203 20 0 EDADMP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)C1 ZINC000904337391 592475097 /nfs/dbraw/zinc/47/50/97/592475097.db2.gz XRFQWUFILAFUDO-BJHJDKERSA-N 2 1 345.415 1.008 20 0 EDADMP O[C@H](CC[C@@H](O)c1ccccc1)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000905339583 592511025 /nfs/dbraw/zinc/51/10/25/592511025.db2.gz BSWWAWCESXAYKO-GUDVDZBRSA-N 2 1 336.476 1.298 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000905420224 592525933 /nfs/dbraw/zinc/52/59/33/592525933.db2.gz YHCVEFMUZWKXLP-UHFFFAOYSA-N 2 1 344.503 1.392 20 0 EDADMP CO[C@@]1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCSC1 ZINC000905544477 592557733 /nfs/dbraw/zinc/55/77/33/592557733.db2.gz BHGFFPGCXHYPOZ-QZTJIDSGSA-N 2 1 336.501 1.735 20 0 EDADMP CO[C@@]1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCSC1 ZINC000905544477 592557735 /nfs/dbraw/zinc/55/77/35/592557735.db2.gz BHGFFPGCXHYPOZ-QZTJIDSGSA-N 2 1 336.501 1.735 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000905523585 592560181 /nfs/dbraw/zinc/56/01/81/592560181.db2.gz XFXFWYABMHRAKD-RDJZCZTQSA-N 2 1 347.532 1.951 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000905523584 592560378 /nfs/dbraw/zinc/56/03/78/592560378.db2.gz XFXFWYABMHRAKD-NVXWUHKLSA-N 2 1 347.532 1.951 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000905593631 592585504 /nfs/dbraw/zinc/58/55/04/592585504.db2.gz GTTVYELCNPOHTJ-MOPGFXCFSA-N 2 1 348.487 1.797 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000905593631 592585506 /nfs/dbraw/zinc/58/55/06/592585506.db2.gz GTTVYELCNPOHTJ-MOPGFXCFSA-N 2 1 348.487 1.797 20 0 EDADMP CCNC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)nc1 ZINC000905700778 592614806 /nfs/dbraw/zinc/61/48/06/592614806.db2.gz RFYAQCXOKKJWCI-CALCHBBNSA-N 2 1 343.475 1.236 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000905883949 592667487 /nfs/dbraw/zinc/66/74/87/592667487.db2.gz LRGGKUDFFXHCMQ-LJQANCHMSA-N 2 1 344.503 1.433 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCc2cccnc2N2CCOCC2)C1 ZINC000905915691 592681016 /nfs/dbraw/zinc/68/10/16/592681016.db2.gz VFGHGNVQCGXZRR-KRWDZBQOSA-N 2 1 346.475 1.656 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000907589343 592723518 /nfs/dbraw/zinc/72/35/18/592723518.db2.gz TWHDDZQUSGMWQZ-JKSUJKDBSA-N 2 1 325.497 1.412 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000907589343 592723520 /nfs/dbraw/zinc/72/35/20/592723520.db2.gz TWHDDZQUSGMWQZ-JKSUJKDBSA-N 2 1 325.497 1.412 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000907589343 592723523 /nfs/dbraw/zinc/72/35/23/592723523.db2.gz TWHDDZQUSGMWQZ-JKSUJKDBSA-N 2 1 325.497 1.412 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000906093094 592740236 /nfs/dbraw/zinc/74/02/36/592740236.db2.gz MHWQWSAPQZJLDX-IBGZPJMESA-N 2 1 344.503 1.261 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000906093094 592740238 /nfs/dbraw/zinc/74/02/38/592740238.db2.gz MHWQWSAPQZJLDX-IBGZPJMESA-N 2 1 344.503 1.261 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000906093094 592740240 /nfs/dbraw/zinc/74/02/40/592740240.db2.gz MHWQWSAPQZJLDX-IBGZPJMESA-N 2 1 344.503 1.261 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000907755367 592778820 /nfs/dbraw/zinc/77/88/20/592778820.db2.gz IGUBUOXYTPEWCS-SJORKVTESA-N 2 1 325.497 1.726 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000907755367 592778823 /nfs/dbraw/zinc/77/88/23/592778823.db2.gz IGUBUOXYTPEWCS-SJORKVTESA-N 2 1 325.497 1.726 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000907755367 592778825 /nfs/dbraw/zinc/77/88/25/592778825.db2.gz IGUBUOXYTPEWCS-SJORKVTESA-N 2 1 325.497 1.726 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000906393473 592808383 /nfs/dbraw/zinc/80/83/83/592808383.db2.gz HLDLZRSGCNRFKV-UHFFFAOYSA-N 2 1 338.540 1.642 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)C1 ZINC000911569406 592950877 /nfs/dbraw/zinc/95/08/77/592950877.db2.gz RZYYZCIEVPQPLJ-GBESFXJTSA-N 2 1 343.471 1.585 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)[C@H]([NH3+])c2cc(Br)ccc2OC)C1 ZINC000911657776 592978557 /nfs/dbraw/zinc/97/85/57/592978557.db2.gz ZILLGOGOHFFNAY-ZWNOBZJWSA-N 2 1 342.237 1.278 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000911869445 593024524 /nfs/dbraw/zinc/02/45/24/593024524.db2.gz XIGIACBKQRKMRI-UHFFFAOYSA-N 2 1 339.524 1.972 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@H]2CC(C)(C)CO2)CC1 ZINC000888378934 593039163 /nfs/dbraw/zinc/03/91/63/593039163.db2.gz FRNBMIVBERWFEY-AWEZNQCLSA-N 2 1 332.448 1.977 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCC[N@H+]1C ZINC000912203760 593071484 /nfs/dbraw/zinc/07/14/84/593071484.db2.gz CQAYMGZEHBDJJL-QZTJIDSGSA-N 2 1 332.492 1.943 20 0 EDADMP Cc1ccccc1-n1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)nn1 ZINC000808387656 593256425 /nfs/dbraw/zinc/25/64/25/593256425.db2.gz XLRWBVFSJOOLJP-UHFFFAOYSA-N 2 1 342.491 1.693 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2cnc(C3OCCO3)s2)CC1(C)C ZINC000809660077 593352698 /nfs/dbraw/zinc/35/26/98/593352698.db2.gz AZFYCMSWVAIDFU-UHFFFAOYSA-N 2 1 340.493 1.304 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000811875061 593485016 /nfs/dbraw/zinc/48/50/16/593485016.db2.gz JONLRUPRGCAEEV-PMPSAXMXSA-N 2 1 326.485 1.269 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000811875061 593485017 /nfs/dbraw/zinc/48/50/17/593485017.db2.gz JONLRUPRGCAEEV-PMPSAXMXSA-N 2 1 326.485 1.269 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000811875061 593485018 /nfs/dbraw/zinc/48/50/18/593485018.db2.gz JONLRUPRGCAEEV-PMPSAXMXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H]1[C@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000813826423 593556749 /nfs/dbraw/zinc/55/67/49/593556749.db2.gz OVARCRUCGBWTIO-FUHWJXTLSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H]1[C@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000813826423 593556751 /nfs/dbraw/zinc/55/67/51/593556751.db2.gz OVARCRUCGBWTIO-FUHWJXTLSA-N 2 1 331.460 1.488 20 0 EDADMP CNC(=O)C1([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCCC1 ZINC000817275364 593587303 /nfs/dbraw/zinc/58/73/03/593587303.db2.gz GBEOTMCCNSRGBU-UHFFFAOYSA-N 2 1 331.460 1.667 20 0 EDADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000817936335 593650508 /nfs/dbraw/zinc/65/05/08/593650508.db2.gz JHUSDDQEOCWRGG-LSDHHAIUSA-N 2 1 332.510 1.481 20 0 EDADMP CCOC(=O)CC[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000818968492 593731042 /nfs/dbraw/zinc/73/10/42/593731042.db2.gz BVRMZOPLTWAJGU-OAHLLOKOSA-N 2 1 332.404 1.370 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000819004288 593733441 /nfs/dbraw/zinc/73/34/41/593733441.db2.gz MTTRYKOIYQVPGK-HOCLYGCPSA-N 2 1 339.867 1.550 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000820080788 593789436 /nfs/dbraw/zinc/78/94/36/593789436.db2.gz LCNQVMPKTNJRRZ-DLBZAZTESA-N 2 1 347.507 1.853 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000820080788 593789437 /nfs/dbraw/zinc/78/94/37/593789437.db2.gz LCNQVMPKTNJRRZ-DLBZAZTESA-N 2 1 347.507 1.853 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@H](O)c2ccccc21 ZINC000820087547 593789909 /nfs/dbraw/zinc/78/99/09/593789909.db2.gz XQMSMPSFKNZKIA-WBAXXEDZSA-N 2 1 348.491 1.736 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@H](O)c2ccccc21 ZINC000820087547 593789910 /nfs/dbraw/zinc/78/99/10/593789910.db2.gz XQMSMPSFKNZKIA-WBAXXEDZSA-N 2 1 348.491 1.736 20 0 EDADMP COc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1-c1nn[nH]n1 ZINC000821813720 593947304 /nfs/dbraw/zinc/94/73/04/593947304.db2.gz KSNGZNOZKSRUSS-UHFFFAOYSA-N 2 1 330.436 1.841 20 0 EDADMP CC(C)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824207337 593956218 /nfs/dbraw/zinc/95/62/18/593956218.db2.gz UQMQHGNZKRSHCU-QGZVFWFLSA-N 2 1 344.463 1.438 20 0 EDADMP Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000822192069 594005835 /nfs/dbraw/zinc/00/58/35/594005835.db2.gz YAVPQJXFZJDGJK-UONOGXRCSA-N 2 1 327.436 1.799 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C=O)cn1C ZINC000822952918 594128068 /nfs/dbraw/zinc/12/80/68/594128068.db2.gz ZNYVXRHJSVQNHN-MRXNPFEDSA-N 2 1 334.464 1.326 20 0 EDADMP CC[C@H](O)CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825154173 594137419 /nfs/dbraw/zinc/13/74/19/594137419.db2.gz MKJJNYADTMYBMQ-KRWDZBQOSA-N 2 1 344.463 1.582 20 0 EDADMP C[N@@H+](CCCON1C(=O)c2ccccc2C1=O)C[C@H]1CCC[NH+](C)C1 ZINC000827877910 594295176 /nfs/dbraw/zinc/29/51/76/594295176.db2.gz JXHVXTDZEKNNJA-HNNXBMFYSA-N 2 1 345.443 1.878 20 0 EDADMP C[NH+](CCCON1C(=O)c2ccccc2C1=O)C[C@H]1CCC[N@H+](C)C1 ZINC000827877910 594295178 /nfs/dbraw/zinc/29/51/78/594295178.db2.gz JXHVXTDZEKNNJA-HNNXBMFYSA-N 2 1 345.443 1.878 20 0 EDADMP C[NH+](CCCON1C(=O)c2ccccc2C1=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000827877910 594295179 /nfs/dbraw/zinc/29/51/79/594295179.db2.gz JXHVXTDZEKNNJA-HNNXBMFYSA-N 2 1 345.443 1.878 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000841720971 594943028 /nfs/dbraw/zinc/94/30/28/594943028.db2.gz BDIOHKHGBQHSBG-UHFFFAOYSA-N 2 1 330.436 1.892 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc(C4(C[NH3+])CC4)n3)cn2)CC1 ZINC000843204649 595033386 /nfs/dbraw/zinc/03/33/86/595033386.db2.gz CYWPWTAGRLZJTI-UHFFFAOYSA-N 2 1 328.420 1.264 20 0 EDADMP COc1cccc(S(=O)(=O)CC[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843354974 595085212 /nfs/dbraw/zinc/08/52/12/595085212.db2.gz HLBVJFKTZXTFMG-UHFFFAOYSA-N 2 1 326.462 1.671 20 0 EDADMP COc1cccc(S(=O)(=O)CC[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843354974 595085216 /nfs/dbraw/zinc/08/52/16/595085216.db2.gz HLBVJFKTZXTFMG-UHFFFAOYSA-N 2 1 326.462 1.671 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(O)cc3)C2)C1 ZINC000846226488 595179341 /nfs/dbraw/zinc/17/93/41/595179341.db2.gz ZMNPKMOJUPEVAR-CKEIUWERSA-N 2 1 333.432 1.549 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000846839150 595324762 /nfs/dbraw/zinc/32/47/62/595324762.db2.gz DPVHXRGKKHQZJX-INIZCTEOSA-N 2 1 339.867 1.763 20 0 EDADMP COCCN(C)C[C@H](O)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000846839150 595324765 /nfs/dbraw/zinc/32/47/65/595324765.db2.gz DPVHXRGKKHQZJX-INIZCTEOSA-N 2 1 339.867 1.763 20 0 EDADMP COCCN(C)C[C@H](O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000846839150 595324768 /nfs/dbraw/zinc/32/47/68/595324768.db2.gz DPVHXRGKKHQZJX-INIZCTEOSA-N 2 1 339.867 1.763 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000848521359 595401936 /nfs/dbraw/zinc/40/19/36/595401936.db2.gz SDFFRMJJVASKFY-RHSMWYFYSA-N 2 1 326.387 1.841 20 0 EDADMP O=C1OCCN1c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000848545245 595404266 /nfs/dbraw/zinc/40/42/66/595404266.db2.gz SXDPXVJCXPOGRL-SFHVURJKSA-N 2 1 345.443 1.986 20 0 EDADMP Cn1c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cnc1Cl ZINC000848547745 595404576 /nfs/dbraw/zinc/40/45/76/595404576.db2.gz SGKCKQZNHXBSFB-INIZCTEOSA-N 2 1 334.851 1.930 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CCO)C3CC3)CC2)CC1 ZINC000847585164 595452906 /nfs/dbraw/zinc/45/29/06/595452906.db2.gz OTPRVAJUUKWLEM-SFHVURJKSA-N 2 1 337.508 1.460 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)COC)c1 ZINC000849061660 595476774 /nfs/dbraw/zinc/47/67/74/595476774.db2.gz WSNRBARNVNBCBW-INIZCTEOSA-N 2 1 347.463 1.370 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849527058 595558187 /nfs/dbraw/zinc/55/81/87/595558187.db2.gz UFUGDBPOCCCGEG-SJORKVTESA-N 2 1 333.480 1.010 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849527058 595558189 /nfs/dbraw/zinc/55/81/89/595558189.db2.gz UFUGDBPOCCCGEG-SJORKVTESA-N 2 1 333.480 1.010 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849527058 595558190 /nfs/dbraw/zinc/55/81/90/595558190.db2.gz UFUGDBPOCCCGEG-SJORKVTESA-N 2 1 333.480 1.010 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000849557269 595565908 /nfs/dbraw/zinc/56/59/08/595565908.db2.gz FZISBBFVWJVBFH-OWSLCNJRSA-N 2 1 347.507 1.444 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849555644 595566065 /nfs/dbraw/zinc/56/60/65/595566065.db2.gz XTQXPYOJBIFYBF-FGTMMUONSA-N 2 1 347.507 1.398 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852857829 595578561 /nfs/dbraw/zinc/57/85/61/595578561.db2.gz HIQVBYAANFARKR-YOEHRIQHSA-N 2 1 344.459 1.638 20 0 EDADMP CCCC[N@@H+](CCC(=O)NC(N)=O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000857706509 595579935 /nfs/dbraw/zinc/57/99/35/595579935.db2.gz XKNYHISGCKYVEZ-UHFFFAOYSA-N 2 1 326.485 1.983 20 0 EDADMP COc1cccc([C@H](O)C2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)c1 ZINC000860134140 595591714 /nfs/dbraw/zinc/59/17/14/595591714.db2.gz KHTOONKMSYTSIU-UYAOXDASSA-N 2 1 348.487 1.896 20 0 EDADMP COc1cccc([C@H](O)C2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)c1 ZINC000860134140 595591718 /nfs/dbraw/zinc/59/17/18/595591718.db2.gz KHTOONKMSYTSIU-UYAOXDASSA-N 2 1 348.487 1.896 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)cn1 ZINC000849608593 595594684 /nfs/dbraw/zinc/59/46/84/595594684.db2.gz QVNIHBSHGXVEON-IXDOHACOSA-N 2 1 347.507 1.444 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1 ZINC000849608593 595594685 /nfs/dbraw/zinc/59/46/85/595594685.db2.gz QVNIHBSHGXVEON-IXDOHACOSA-N 2 1 347.507 1.444 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1 ZINC000849608593 595594686 /nfs/dbraw/zinc/59/46/86/595594686.db2.gz QVNIHBSHGXVEON-IXDOHACOSA-N 2 1 347.507 1.444 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@H](O)c3ccccn3)cc2)CC1 ZINC000853097791 595663983 /nfs/dbraw/zinc/66/39/83/595663983.db2.gz FKBWAHKFROHGPW-FQEVSTJZSA-N 2 1 340.471 1.652 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000851666773 595875887 /nfs/dbraw/zinc/87/58/87/595875887.db2.gz IUJVUEVSTHZXMG-GXTWGEPZSA-N 2 1 330.423 1.690 20 0 EDADMP COC(=O)c1nc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1Cl ZINC000854221569 596006374 /nfs/dbraw/zinc/00/63/74/596006374.db2.gz PJJCFBHFLQLYCT-XHVZSJERSA-N 2 1 327.812 1.364 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CNC(=O)C3)C2)ccn1 ZINC000856584424 596021643 /nfs/dbraw/zinc/02/16/43/596021643.db2.gz JWFIDILQSKSYFL-WMLDXEAASA-N 2 1 332.448 1.123 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CNC(=O)C3)C2)ccn1 ZINC000856584424 596021645 /nfs/dbraw/zinc/02/16/45/596021645.db2.gz JWFIDILQSKSYFL-WMLDXEAASA-N 2 1 332.448 1.123 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CNC(=O)C3)C2)ccn1 ZINC000856584424 596021648 /nfs/dbraw/zinc/02/16/48/596021648.db2.gz JWFIDILQSKSYFL-WMLDXEAASA-N 2 1 332.448 1.123 20 0 EDADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856596778 596028043 /nfs/dbraw/zinc/02/80/43/596028043.db2.gz ZYHRDYLIWAKEDW-GOSISDBHSA-N 2 1 348.491 1.855 20 0 EDADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856596778 596028045 /nfs/dbraw/zinc/02/80/45/596028045.db2.gz ZYHRDYLIWAKEDW-GOSISDBHSA-N 2 1 348.491 1.855 20 0 EDADMP CCN(CC)C(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856596778 596028049 /nfs/dbraw/zinc/02/80/49/596028049.db2.gz ZYHRDYLIWAKEDW-GOSISDBHSA-N 2 1 348.491 1.855 20 0 EDADMP CCN(CC)C(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856596778 596028053 /nfs/dbraw/zinc/02/80/53/596028053.db2.gz ZYHRDYLIWAKEDW-GOSISDBHSA-N 2 1 348.491 1.855 20 0 EDADMP COC[C@H](O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856599642 596030633 /nfs/dbraw/zinc/03/06/33/596030633.db2.gz MFQVVKIQNHPMIP-AEFFLSMTSA-N 2 1 337.464 1.382 20 0 EDADMP COC[C@H](O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856599642 596030636 /nfs/dbraw/zinc/03/06/36/596030636.db2.gz MFQVVKIQNHPMIP-AEFFLSMTSA-N 2 1 337.464 1.382 20 0 EDADMP COC[C@H](O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856599642 596030641 /nfs/dbraw/zinc/03/06/41/596030641.db2.gz MFQVVKIQNHPMIP-AEFFLSMTSA-N 2 1 337.464 1.382 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC000861564849 596031337 /nfs/dbraw/zinc/03/13/37/596031337.db2.gz RDQHPUZRRZXVSA-DOMZBBRYSA-N 2 1 328.420 1.515 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CCOC[C@H]1[C@H]1CCC[NH+]1C ZINC000854642673 596145654 /nfs/dbraw/zinc/14/56/54/596145654.db2.gz QYAWXFLJGHJGIW-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000854642673 596145656 /nfs/dbraw/zinc/14/56/56/596145656.db2.gz QYAWXFLJGHJGIW-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000854642673 596145658 /nfs/dbraw/zinc/14/56/58/596145658.db2.gz QYAWXFLJGHJGIW-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP COc1ccc(OC)c2c1C[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C[C@@H]2O ZINC000852744425 596237369 /nfs/dbraw/zinc/23/73/69/596237369.db2.gz CGBHLTAEICKRRP-JSGCOSHPSA-N 2 1 334.416 1.074 20 0 EDADMP COc1ccc(OC)c2c1C[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C[C@@H]2O ZINC000852744425 596237370 /nfs/dbraw/zinc/23/73/70/596237370.db2.gz CGBHLTAEICKRRP-JSGCOSHPSA-N 2 1 334.416 1.074 20 0 EDADMP CSC1(CNC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC[NH+](C)CC1 ZINC000868626624 596251177 /nfs/dbraw/zinc/25/11/77/596251177.db2.gz KKJIEKNDWLDNPW-GJZGRUSLSA-N 2 1 340.537 1.549 20 0 EDADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710123 596303914 /nfs/dbraw/zinc/30/39/14/596303914.db2.gz VXUOOSNQLIFQFA-INMHGKMJSA-N 2 1 331.416 1.371 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000866714866 596306534 /nfs/dbraw/zinc/30/65/34/596306534.db2.gz ZFKRAZOLFLIZAN-BBWFWOEESA-N 2 1 333.407 1.625 20 0 EDADMP [NH3+][C@H]1CC[C@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000870868725 596383500 /nfs/dbraw/zinc/38/35/00/596383500.db2.gz NDFUSQVPGVMVDF-IYARVYRRSA-N 2 1 331.460 1.653 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000865451536 596579166 /nfs/dbraw/zinc/57/91/66/596579166.db2.gz RDCCTROQCLWBDR-UHFFFAOYSA-N 2 1 332.448 1.897 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000863554305 596617068 /nfs/dbraw/zinc/61/70/68/596617068.db2.gz VYXCVNRKUCFYPE-KRWDZBQOSA-N 2 1 333.476 1.885 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000863554305 596617070 /nfs/dbraw/zinc/61/70/70/596617070.db2.gz VYXCVNRKUCFYPE-KRWDZBQOSA-N 2 1 333.476 1.885 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)C[C@H](C)[NH3+])CC2)cc1 ZINC000863568847 596621270 /nfs/dbraw/zinc/62/12/70/596621270.db2.gz PLYCUYLNSNQHLN-KRWDZBQOSA-N 2 1 332.492 1.308 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000869799819 596639883 /nfs/dbraw/zinc/63/98/83/596639883.db2.gz JLZMLXKCTAVIFW-MJGOQNOKSA-N 2 1 345.487 1.593 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000869799819 596639886 /nfs/dbraw/zinc/63/98/86/596639886.db2.gz JLZMLXKCTAVIFW-MJGOQNOKSA-N 2 1 345.487 1.593 20 0 EDADMP COC(=O)COc1c(C)cc(C[NH2+]CC2([NH3+])CCOCC2)cc1C ZINC000863645122 596642690 /nfs/dbraw/zinc/64/26/90/596642690.db2.gz CCVDREIMZVVFAI-UHFFFAOYSA-N 2 1 336.432 1.453 20 0 EDADMP CCOc1cc(C[NH2+]CC2([NH3+])CCOCC2)ccc1OC(=O)CC ZINC000863646710 596643482 /nfs/dbraw/zinc/64/34/82/596643482.db2.gz YBGXDLIYLOUGOW-UHFFFAOYSA-N 2 1 336.432 1.998 20 0 EDADMP C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH2+]CC1 ZINC000868004344 596651685 /nfs/dbraw/zinc/65/16/85/596651685.db2.gz YGUJTJKWHJJDOA-CRAIPNDOSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH2+]CC1 ZINC000868004344 596651688 /nfs/dbraw/zinc/65/16/88/596651688.db2.gz YGUJTJKWHJJDOA-CRAIPNDOSA-N 2 1 331.460 1.392 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000868175261 596711327 /nfs/dbraw/zinc/71/13/27/596711327.db2.gz BDXXJKJTGBASBI-IXDOHACOSA-N 2 1 332.448 1.470 20 0 EDADMP C[C@@H](CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C[NH+]1CCOCC1 ZINC000868185288 596714564 /nfs/dbraw/zinc/71/45/64/596714564.db2.gz RZDPWXYQORWWMW-RRQGHBQHSA-N 2 1 332.448 1.591 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000868184561 596714571 /nfs/dbraw/zinc/71/45/71/596714571.db2.gz ANDCRFZXBUQRJD-FGTMMUONSA-N 2 1 346.475 1.860 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000868227203 596735558 /nfs/dbraw/zinc/73/55/58/596735558.db2.gz WJPKZBOULBXOGF-AFAVFJNCSA-N 2 1 342.443 1.040 20 0 EDADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868230529 596736896 /nfs/dbraw/zinc/73/68/96/596736896.db2.gz GEAXNQRVPLGSDV-GVDBMIGSSA-N 2 1 344.459 1.238 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868230529 596736897 /nfs/dbraw/zinc/73/68/97/596736897.db2.gz GEAXNQRVPLGSDV-GVDBMIGSSA-N 2 1 344.459 1.238 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC000868310140 596783256 /nfs/dbraw/zinc/78/32/56/596783256.db2.gz QNDZRUOCCFLCBM-KRWDZBQOSA-N 2 1 334.464 1.441 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC000868310140 596783257 /nfs/dbraw/zinc/78/32/57/596783257.db2.gz QNDZRUOCCFLCBM-KRWDZBQOSA-N 2 1 334.464 1.441 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000868310140 596783260 /nfs/dbraw/zinc/78/32/60/596783260.db2.gz QNDZRUOCCFLCBM-KRWDZBQOSA-N 2 1 334.464 1.441 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000868310140 596783261 /nfs/dbraw/zinc/78/32/61/596783261.db2.gz QNDZRUOCCFLCBM-KRWDZBQOSA-N 2 1 334.464 1.441 20 0 EDADMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CCCOC1 ZINC000872036458 596798373 /nfs/dbraw/zinc/79/83/73/596798373.db2.gz SFYNBCDNRXGFQX-RDJZCZTQSA-N 2 1 325.497 1.724 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1)[C@H]1CCC[NH2+]1 ZINC000872142764 596809348 /nfs/dbraw/zinc/80/93/48/596809348.db2.gz CNLGHIKEAKPNIZ-TXTZMMAHSA-N 2 1 335.492 1.524 20 0 EDADMP CC[C@@H](c1ccc(F)cc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000872146082 596809973 /nfs/dbraw/zinc/80/99/73/596809973.db2.gz FEUQIYLIAXWCHS-IBGZPJMESA-N 2 1 334.483 1.800 20 0 EDADMP O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000872145979 596810477 /nfs/dbraw/zinc/81/04/77/596810477.db2.gz BBGRIVBWMZEIOI-SQNIBIBYSA-N 2 1 337.508 1.508 20 0 EDADMP COc1cc2c(cc1OC)[C@H](C)[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC2 ZINC000872154815 596815755 /nfs/dbraw/zinc/81/57/55/596815755.db2.gz BNEWMMMFDDDOGV-AWEZNQCLSA-N 2 1 347.459 1.445 20 0 EDADMP Cn1c(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc(=O)n(C)c1=O ZINC000872156455 596815845 /nfs/dbraw/zinc/81/58/45/596815845.db2.gz JXVFCZKGTBLWTJ-PBHICJAKSA-N 2 1 348.491 1.204 20 0 EDADMP COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC2 ZINC000872154817 596815989 /nfs/dbraw/zinc/81/59/89/596815989.db2.gz BNEWMMMFDDDOGV-CQSZACIVSA-N 2 1 347.459 1.445 20 0 EDADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157236 596816201 /nfs/dbraw/zinc/81/62/01/596816201.db2.gz NTYJHFPQLJQQKW-HOCLYGCPSA-N 2 1 331.526 1.545 20 0 EDADMP CC(C)(O)C[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000872215095 596839020 /nfs/dbraw/zinc/83/90/20/596839020.db2.gz PKAGSOMWYQJVOP-ROUUACIJSA-N 2 1 336.476 1.255 20 0 EDADMP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000872304988 596875346 /nfs/dbraw/zinc/87/53/46/596875346.db2.gz FCYREHZBWFEMLH-GBESFXJTSA-N 2 1 345.487 1.777 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)[C@@H](C)C1 ZINC000866415340 596880991 /nfs/dbraw/zinc/88/09/91/596880991.db2.gz ZPRAFXPVDMDJIM-BZSNNMDCSA-N 2 1 341.540 1.558 20 0 EDADMP CCOCCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](CC(C)(C)O)C2)[C@@H](C)C1 ZINC000866415340 596880992 /nfs/dbraw/zinc/88/09/92/596880992.db2.gz ZPRAFXPVDMDJIM-BZSNNMDCSA-N 2 1 341.540 1.558 20 0 EDADMP CCOCCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](CC(C)(C)O)C2)[C@@H](C)C1 ZINC000866415340 596880993 /nfs/dbraw/zinc/88/09/93/596880993.db2.gz ZPRAFXPVDMDJIM-BZSNNMDCSA-N 2 1 341.540 1.558 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(CC(C)(C)O)C2)[C@@H](C)C1 ZINC000866415340 596880995 /nfs/dbraw/zinc/88/09/95/596880995.db2.gz ZPRAFXPVDMDJIM-BZSNNMDCSA-N 2 1 341.540 1.558 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(CC(C)(C)O)C2)[C@@H](C)C1 ZINC000866415340 596880996 /nfs/dbraw/zinc/88/09/96/596880996.db2.gz ZPRAFXPVDMDJIM-BZSNNMDCSA-N 2 1 341.540 1.558 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000875592469 596908870 /nfs/dbraw/zinc/90/88/70/596908870.db2.gz KMCLDRWWQQYQBM-INIZCTEOSA-N 2 1 342.528 1.715 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000875706122 596953900 /nfs/dbraw/zinc/95/39/00/596953900.db2.gz AFMBSXQJUQZRTD-JYJNAYRXSA-N 2 1 338.496 1.148 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000875706122 596953902 /nfs/dbraw/zinc/95/39/02/596953902.db2.gz AFMBSXQJUQZRTD-JYJNAYRXSA-N 2 1 338.496 1.148 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000875706122 596953903 /nfs/dbraw/zinc/95/39/03/596953903.db2.gz AFMBSXQJUQZRTD-JYJNAYRXSA-N 2 1 338.496 1.148 20 0 EDADMP CN1Cc2ccccc2[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000876202307 597132393 /nfs/dbraw/zinc/13/23/93/597132393.db2.gz CPHNRDUSXCCANU-RDJZCZTQSA-N 2 1 346.475 1.318 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000876202307 597132394 /nfs/dbraw/zinc/13/23/94/597132394.db2.gz CPHNRDUSXCCANU-RDJZCZTQSA-N 2 1 346.475 1.318 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000876202307 597132398 /nfs/dbraw/zinc/13/23/98/597132398.db2.gz CPHNRDUSXCCANU-RDJZCZTQSA-N 2 1 346.475 1.318 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000876202307 597132403 /nfs/dbraw/zinc/13/24/03/597132403.db2.gz CPHNRDUSXCCANU-RDJZCZTQSA-N 2 1 346.475 1.318 20 0 EDADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1C ZINC000873079066 597183725 /nfs/dbraw/zinc/18/37/25/597183725.db2.gz BJVLEPVRROUNTH-DOTOQJQBSA-N 2 1 335.448 1.279 20 0 EDADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000873111702 597199633 /nfs/dbraw/zinc/19/96/33/597199633.db2.gz FWJRSXCUDDOLLP-YVSFHVDLSA-N 2 1 342.443 1.135 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000876524326 597230179 /nfs/dbraw/zinc/23/01/79/597230179.db2.gz NRAXAWKOEOSJDI-SFHVURJKSA-N 2 1 342.443 1.422 20 0 EDADMP Cn1cc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c(=O)n(C)c1=O ZINC000873232150 597235074 /nfs/dbraw/zinc/23/50/74/597235074.db2.gz LVSRXMLRDBPUCK-PBHICJAKSA-N 2 1 348.491 1.204 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876556116 597239323 /nfs/dbraw/zinc/23/93/23/597239323.db2.gz IEPPTXOSWAPWQJ-GJZGRUSLSA-N 2 1 327.444 1.085 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)C[NH+](C)C)cc2)C1 ZINC000876719706 597304207 /nfs/dbraw/zinc/30/42/07/597304207.db2.gz SNUSZMFUNNBVJD-YJBOKZPZSA-N 2 1 332.492 1.424 20 0 EDADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000876720551 597304256 /nfs/dbraw/zinc/30/42/56/597304256.db2.gz KJBUUYFCBRAETF-LOKLRBNOSA-N 2 1 343.471 1.547 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875157284 597307062 /nfs/dbraw/zinc/30/70/62/597307062.db2.gz SKUJQKHKQOYEJH-UHFFFAOYSA-N 2 1 340.512 1.214 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876733675 597311998 /nfs/dbraw/zinc/31/19/98/597311998.db2.gz FDSKCOMTSKHWAC-NVXWUHKLSA-N 2 1 335.423 1.447 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]([NH3+])C3(C)C)cc2)CC1 ZINC000876736133 597313399 /nfs/dbraw/zinc/31/33/99/597313399.db2.gz RPWHINLKSFSZDR-HOTGVXAUSA-N 2 1 344.459 1.386 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000876756792 597324332 /nfs/dbraw/zinc/32/43/32/597324332.db2.gz YNXYDBUKXNHHLD-UNEWFSDZSA-N 2 1 335.423 1.966 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876781366 597338982 /nfs/dbraw/zinc/33/89/82/597338982.db2.gz GTTTYZWIASCAHA-RGDDUWESSA-N 3 1 329.448 1.328 20 0 EDADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000876972208 597402105 /nfs/dbraw/zinc/40/21/05/597402105.db2.gz RKDFGZVDAOZQJE-DOGOWXIXSA-N 2 1 334.508 1.025 20 0 EDADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000876972208 597402106 /nfs/dbraw/zinc/40/21/06/597402106.db2.gz RKDFGZVDAOZQJE-DOGOWXIXSA-N 2 1 334.508 1.025 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000875371543 597404586 /nfs/dbraw/zinc/40/45/86/597404586.db2.gz QPLHIQCZSCEWAF-RDJZCZTQSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000876988868 597406080 /nfs/dbraw/zinc/40/60/80/597406080.db2.gz LOVGSHBBFYOJID-FUHWJXTLSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000876988868 597406081 /nfs/dbraw/zinc/40/60/81/597406081.db2.gz LOVGSHBBFYOJID-FUHWJXTLSA-N 2 1 331.460 1.488 20 0 EDADMP CCOC(=O)N1CCC(C)(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000877022421 597414229 /nfs/dbraw/zinc/41/42/29/597414229.db2.gz NFPYEBHLYJIFKE-CVEARBPZSA-N 2 1 339.480 1.698 20 0 EDADMP CCOC(=O)N1CCC(C)(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000877022421 597414230 /nfs/dbraw/zinc/41/42/30/597414230.db2.gz NFPYEBHLYJIFKE-CVEARBPZSA-N 2 1 339.480 1.698 20 0 EDADMP COc1cnc(F)c(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000877125852 597438514 /nfs/dbraw/zinc/43/85/14/597438514.db2.gz BLVDPRZNCLSSDH-HNNXBMFYSA-N 2 1 340.443 1.411 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3C4CCC3(C[NH3+])CC4)cc2)CC1 ZINC000877188970 597456223 /nfs/dbraw/zinc/45/62/23/597456223.db2.gz KZSKEZXDRHWQKL-UHFFFAOYSA-N 2 1 342.487 1.530 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000877231752 597470511 /nfs/dbraw/zinc/47/05/11/597470511.db2.gz SIQUVRFXVUMSRX-PKOBYXMFSA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000877231752 597470512 /nfs/dbraw/zinc/47/05/12/597470512.db2.gz SIQUVRFXVUMSRX-PKOBYXMFSA-N 2 1 345.487 1.702 20 0 EDADMP C[C@@]12CN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877352084 597498814 /nfs/dbraw/zinc/49/88/14/597498814.db2.gz AUDIZFJTUDFSOE-HLNWXESRSA-N 2 1 343.471 1.331 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877389204 597507524 /nfs/dbraw/zinc/50/75/24/597507524.db2.gz ASROFJMBUVXLNC-UYAOXDASSA-N 2 1 342.487 1.205 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000878080182 597576653 /nfs/dbraw/zinc/57/66/53/597576653.db2.gz GSRMKJGOTJQGDH-OAHLLOKOSA-N 2 1 331.464 1.654 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CC2(CO1)CCOCC2 ZINC000878288536 597592718 /nfs/dbraw/zinc/59/27/18/597592718.db2.gz YIIXGDLYBNUWTM-XDNAFOTISA-N 2 1 338.492 1.756 20 0 EDADMP Cn1nnnc1CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000878337092 597596581 /nfs/dbraw/zinc/59/65/81/597596581.db2.gz BRTHLECPZLSPBA-UHFFFAOYSA-N 2 1 329.452 1.386 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)CC1 ZINC000878456410 597603087 /nfs/dbraw/zinc/60/30/87/597603087.db2.gz OKPAEPHYZFULNN-HXUWFJFHSA-N 2 1 343.471 1.718 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)CC1 ZINC000878456410 597603088 /nfs/dbraw/zinc/60/30/88/597603088.db2.gz OKPAEPHYZFULNN-HXUWFJFHSA-N 2 1 343.471 1.718 20 0 EDADMP C[NH+]1CC[C@@H]2CN(CCCCN3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)CC[C@H]21 ZINC000879578555 597640884 /nfs/dbraw/zinc/64/08/84/597640884.db2.gz UOAUPVGTUXSCLT-UAFMIMERSA-N 2 1 334.552 1.819 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000878825317 597725306 /nfs/dbraw/zinc/72/53/06/597725306.db2.gz DGLBVOLYOWRZQG-QLFBSQMISA-N 2 1 341.496 1.723 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000878825317 597725308 /nfs/dbraw/zinc/72/53/08/597725308.db2.gz DGLBVOLYOWRZQG-QLFBSQMISA-N 2 1 341.496 1.723 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883416738 597739310 /nfs/dbraw/zinc/73/93/10/597739310.db2.gz CRXGAGAEBGPJDZ-KURKYZTESA-N 2 1 331.460 1.694 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883458841 597756905 /nfs/dbraw/zinc/75/69/05/597756905.db2.gz ZAPXBGRUTDGMLO-INIZCTEOSA-N 2 1 349.479 1.270 20 0 EDADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)N[C@H](CO)C[NH+]3CCCC3)c2)C1 ZINC000879990688 597799831 /nfs/dbraw/zinc/79/98/31/597799831.db2.gz FTDGSOGKVJSMGP-OALUTQOASA-N 2 1 345.487 1.682 20 0 EDADMP [NH3+][C@H]1CCN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883586428 597815220 /nfs/dbraw/zinc/81/52/20/597815220.db2.gz LIRHZAHTOIXTJE-YOEHRIQHSA-N 2 1 329.448 1.536 20 0 EDADMP COCC[N@H+](CC(=O)NCc1cccc(C)c1)CC1CC[NH+](C)CC1 ZINC000879124915 597826713 /nfs/dbraw/zinc/82/67/13/597826713.db2.gz IQURPOMQBIREHH-UHFFFAOYSA-N 2 1 347.503 1.901 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000879210171 597849356 /nfs/dbraw/zinc/84/93/56/597849356.db2.gz UTSNFMXLAAUIGG-HXUWFJFHSA-N 2 1 345.487 1.700 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000883654092 597849714 /nfs/dbraw/zinc/84/97/14/597849714.db2.gz RYSBWPREYSAETC-UHFFFAOYSA-N 2 1 349.479 1.160 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@]3(C(=O)OC)CCC[C@H]23)CC1 ZINC000880178390 597866388 /nfs/dbraw/zinc/86/63/88/597866388.db2.gz DYLIUUYDGCIREZ-MAUKXSAKSA-N 2 1 337.464 1.005 20 0 EDADMP Cc1cc(NC(=O)CC[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)no1 ZINC000880261743 597886350 /nfs/dbraw/zinc/88/63/50/597886350.db2.gz MBAKNAOQWRMKQO-ZDUSSCGKSA-N 2 1 329.404 1.917 20 0 EDADMP COc1cccc(C[NH+]2CCN(C[C@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000879450822 597921505 /nfs/dbraw/zinc/92/15/05/597921505.db2.gz NZTHNUXRZLTRHX-GOSISDBHSA-N 2 1 333.476 1.270 20 0 EDADMP CN(C)c1cc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc[nH+]1 ZINC000880607266 597979189 /nfs/dbraw/zinc/97/91/89/597979189.db2.gz JNPXNCFDYLIQDU-INIZCTEOSA-N 2 1 347.463 1.913 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884192603 598022237 /nfs/dbraw/zinc/02/22/37/598022237.db2.gz JVJBRKNIAIRPIS-WMLDXEAASA-N 2 1 328.460 1.838 20 0 EDADMP CCC1([NH+]2CCC2)CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000884197377 598024445 /nfs/dbraw/zinc/02/44/45/598024445.db2.gz RMDFAHRZECCRJX-UHFFFAOYSA-N 2 1 340.537 1.695 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[NH2+]CC3(C)C)cc2)CC1 ZINC000884199108 598025716 /nfs/dbraw/zinc/02/57/16/598025716.db2.gz OTGRMKTXNLQADW-INIZCTEOSA-N 2 1 344.459 1.258 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])CC3CC3)c2)CCO1 ZINC000884202464 598026944 /nfs/dbraw/zinc/02/69/44/598026944.db2.gz ZCMRRACXRVPOLQ-RDTXWAMCSA-N 2 1 331.460 1.651 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])CC3CC3)c2)CCO1 ZINC000884202464 598026948 /nfs/dbraw/zinc/02/69/48/598026948.db2.gz ZCMRRACXRVPOLQ-RDTXWAMCSA-N 2 1 331.460 1.651 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884204450 598027833 /nfs/dbraw/zinc/02/78/33/598027833.db2.gz VWPBEJXNGZQAIY-INIZCTEOSA-N 2 1 345.491 1.341 20 0 EDADMP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000884229560 598037875 /nfs/dbraw/zinc/03/78/75/598037875.db2.gz UJKDLBUPFNBMTK-VYDXJSESSA-N 2 1 347.463 1.021 20 0 EDADMP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000884229560 598037879 /nfs/dbraw/zinc/03/78/79/598037879.db2.gz UJKDLBUPFNBMTK-VYDXJSESSA-N 2 1 347.463 1.021 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]([NH3+])CC3CC3)c2)CC1 ZINC000884231935 598038123 /nfs/dbraw/zinc/03/81/23/598038123.db2.gz DZOMVVZRHUJZCB-KRWDZBQOSA-N 2 1 344.459 1.069 20 0 EDADMP C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000881019108 598053979 /nfs/dbraw/zinc/05/39/79/598053979.db2.gz GFPOKFOYACAFTH-BORJPKMPSA-N 2 1 347.507 1.273 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000884389586 598089987 /nfs/dbraw/zinc/08/99/87/598089987.db2.gz BPXOMAHDZXGJSB-OAGGEKHMSA-N 2 1 349.475 1.512 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000884389586 598089990 /nfs/dbraw/zinc/08/99/90/598089990.db2.gz BPXOMAHDZXGJSB-OAGGEKHMSA-N 2 1 349.475 1.512 20 0 EDADMP C[C@@H](F)CC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001030988024 695093702 /nfs/dbraw/zinc/09/37/02/695093702.db2.gz VRKGISYTJBUBFO-OLMNPRSZSA-N 2 1 333.451 1.880 20 0 EDADMP C[C@@H](F)CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001030988024 695093706 /nfs/dbraw/zinc/09/37/06/695093706.db2.gz VRKGISYTJBUBFO-OLMNPRSZSA-N 2 1 333.451 1.880 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000914160491 695171860 /nfs/dbraw/zinc/17/18/60/695171860.db2.gz FFCSOUZULKPIFR-CWRNSKLLSA-N 2 1 338.521 1.350 20 0 EDADMP CC(C)c1nccn1CC(=O)NC1C[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC001031034431 695240614 /nfs/dbraw/zinc/24/06/14/695240614.db2.gz RMVNIYQMWJXUPF-QGZVFWFLSA-N 2 1 348.491 1.748 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@H]2C1 ZINC000992764503 695300101 /nfs/dbraw/zinc/30/01/01/695300101.db2.gz BRYSGQCRRITQPK-JYJNAYRXSA-N 2 1 348.466 1.948 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC000914289469 695333278 /nfs/dbraw/zinc/33/32/78/695333278.db2.gz NXNVBGZMZHLVIZ-IUODEOHRSA-N 2 1 328.420 1.468 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC000914289469 695333282 /nfs/dbraw/zinc/33/32/82/695333282.db2.gz NXNVBGZMZHLVIZ-IUODEOHRSA-N 2 1 328.420 1.468 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCC3)[C@H]2C1 ZINC000992856978 695416967 /nfs/dbraw/zinc/41/69/67/695416967.db2.gz MBXDEQRUWKKISV-FHWLQOOXSA-N 2 1 349.519 1.726 20 0 EDADMP CC[C@@H](CNC(=S)NCC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000914704092 695627527 /nfs/dbraw/zinc/62/75/27/695627527.db2.gz OBWXQOQSTBKDPU-KRWDZBQOSA-N 2 1 334.533 1.849 20 0 EDADMP C[C@@H]1CCCN(C(=O)C2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)C1 ZINC000915694426 695972208 /nfs/dbraw/zinc/97/22/08/695972208.db2.gz LEBPLXIHXQILJB-SJLPKXTDSA-N 2 1 337.508 1.414 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCC[N@H+]1CC1CC1 ZINC000993987254 696482974 /nfs/dbraw/zinc/48/29/74/696482974.db2.gz MFCZJXNZKWMNQS-PBHICJAKSA-N 2 1 333.480 1.437 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1cncs1 ZINC000994251754 696645133 /nfs/dbraw/zinc/64/51/33/696645133.db2.gz LBYMVYBQIRUIRR-HIFRSBDPSA-N 2 1 334.489 1.708 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1Cc1cncs1 ZINC000994251754 696645135 /nfs/dbraw/zinc/64/51/35/696645135.db2.gz LBYMVYBQIRUIRR-HIFRSBDPSA-N 2 1 334.489 1.708 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC3CCC4(CC4)CC3)C2)C1 ZINC001031596910 697297520 /nfs/dbraw/zinc/29/75/20/697297520.db2.gz SAOWIQKRQPVSES-KRWDZBQOSA-N 2 1 335.492 1.335 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC3CCC4(CC4)CC3)C2)C1 ZINC001031596910 697297521 /nfs/dbraw/zinc/29/75/21/697297521.db2.gz SAOWIQKRQPVSES-KRWDZBQOSA-N 2 1 335.492 1.335 20 0 EDADMP C[C@@H](O)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040847169 697322464 /nfs/dbraw/zinc/32/24/64/697322464.db2.gz JEABHBBIWFRMHW-MRXNPFEDSA-N 2 1 337.508 1.414 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031666286 697446127 /nfs/dbraw/zinc/44/61/27/697446127.db2.gz LYVPNHATNGWWDX-KRWDZBQOSA-N 2 1 334.464 1.712 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031666286 697446128 /nfs/dbraw/zinc/44/61/28/697446128.db2.gz LYVPNHATNGWWDX-KRWDZBQOSA-N 2 1 334.464 1.712 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC001031666357 697447351 /nfs/dbraw/zinc/44/73/51/697447351.db2.gz NMOGNCGYUUSQHK-INIZCTEOSA-N 2 1 348.491 1.966 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC001031666357 697447353 /nfs/dbraw/zinc/44/73/53/697447353.db2.gz NMOGNCGYUUSQHK-INIZCTEOSA-N 2 1 348.491 1.966 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668306 697460082 /nfs/dbraw/zinc/46/00/82/697460082.db2.gz DAWDKNWNPDSKGH-NVXWUHKLSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668306 697460086 /nfs/dbraw/zinc/46/00/86/697460086.db2.gz DAWDKNWNPDSKGH-NVXWUHKLSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668581 697461245 /nfs/dbraw/zinc/46/12/45/697461245.db2.gz KLHKFPXYDOPKEP-HKUYNNGSSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668581 697461247 /nfs/dbraw/zinc/46/12/47/697461247.db2.gz KLHKFPXYDOPKEP-HKUYNNGSSA-N 2 1 342.487 1.812 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccc2F)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675539 697485941 /nfs/dbraw/zinc/48/59/41/697485941.db2.gz LASBONXYLAOXIU-KRWDZBQOSA-N 2 1 331.435 1.716 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3scnc3C)C2)CC[N@@H+]1C ZINC001031683906 697514558 /nfs/dbraw/zinc/51/45/58/697514558.db2.gz BZUGFZWDAATYQT-LSDHHAIUSA-N 2 1 336.505 1.730 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3scnc3C)C2)CC[N@H+]1C ZINC001031683906 697514560 /nfs/dbraw/zinc/51/45/60/697514560.db2.gz BZUGFZWDAATYQT-LSDHHAIUSA-N 2 1 336.505 1.730 20 0 EDADMP O=C(NCC1C[NH+](CCCC2CCC2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688266 697519977 /nfs/dbraw/zinc/51/99/77/697519977.db2.gz BYJVCIRIFGQJOP-ROUUACIJSA-N 2 1 335.492 1.478 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CC[NH+]1C ZINC000921326636 697566730 /nfs/dbraw/zinc/56/67/30/697566730.db2.gz OKKFGBDBOUFHGK-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000921326636 697566732 /nfs/dbraw/zinc/56/67/32/697566732.db2.gz OKKFGBDBOUFHGK-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CC[N@H+]1C ZINC000921326636 697566733 /nfs/dbraw/zinc/56/67/33/697566733.db2.gz OKKFGBDBOUFHGK-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C[N@H+]1C1CC1 ZINC000921382453 697581405 /nfs/dbraw/zinc/58/14/05/697581405.db2.gz DJXYVUKRJTZPRG-BFJAYTPKSA-N 2 1 338.521 1.491 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001031715610 697741598 /nfs/dbraw/zinc/74/15/98/697741598.db2.gz XKBMEHNZGAOEJN-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)on1 ZINC000995035804 700179845 /nfs/dbraw/zinc/17/98/45/700179845.db2.gz IXALPFINCIFFED-LSDHHAIUSA-N 2 1 331.420 1.563 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nccnc2C)C1 ZINC000995036746 700190720 /nfs/dbraw/zinc/19/07/20/700190720.db2.gz MGNQDBKPTTYQBJ-HOTGVXAUSA-N 2 1 342.447 1.365 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CC[C@@H]3CCCO3)C2)C1 ZINC001031729359 698051621 /nfs/dbraw/zinc/05/16/21/698051621.db2.gz LJAWWBIKVFXSSG-ROUUACIJSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729720 698057678 /nfs/dbraw/zinc/05/76/78/698057678.db2.gz RURBJNSBWMNYJA-KRWDZBQOSA-N 2 1 347.507 1.254 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031729720 698057683 /nfs/dbraw/zinc/05/76/83/698057683.db2.gz RURBJNSBWMNYJA-KRWDZBQOSA-N 2 1 347.507 1.254 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC000995038067 700196283 /nfs/dbraw/zinc/19/62/83/700196283.db2.gz PRSFLBYGFXUZCS-CHWSQXEVSA-N 2 1 334.449 1.118 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)on1 ZINC000940119766 700253455 /nfs/dbraw/zinc/25/34/55/700253455.db2.gz IVBJEQGIDPAHIP-GDBMZVCRSA-N 2 1 334.464 1.794 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nc(C)no3)CC2)CC[N@@H+]1C ZINC000940121204 700254798 /nfs/dbraw/zinc/25/47/98/700254798.db2.gz ZCNJBGTZURRDQT-LSDHHAIUSA-N 2 1 349.479 1.579 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nc(C)no3)CC2)CC[N@H+]1C ZINC000940121204 700254801 /nfs/dbraw/zinc/25/48/01/700254801.db2.gz ZCNJBGTZURRDQT-LSDHHAIUSA-N 2 1 349.479 1.579 20 0 EDADMP O=C(NCC1C[NH+](CC2CCOCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001031765139 699050457 /nfs/dbraw/zinc/05/04/57/699050457.db2.gz BMNDBPPTUPKWSQ-ZWKOTPCHSA-N 2 1 335.492 1.478 20 0 EDADMP Cn1cc(CC[NH+]2CC(CNC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)cn1 ZINC001031765455 699051890 /nfs/dbraw/zinc/05/18/90/699051890.db2.gz HKFUCKYSDKMIBP-QZTJIDSGSA-N 2 1 345.491 1.028 20 0 EDADMP CC(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000939148790 699251931 /nfs/dbraw/zinc/25/19/31/699251931.db2.gz WZZVARPKRDKZNR-RHSMWYFYSA-N 2 1 334.464 1.977 20 0 EDADMP C[C@@H](F)CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000941567060 701579687 /nfs/dbraw/zinc/57/96/87/701579687.db2.gz PQNVDGORQRMGSV-HZPDHXFCSA-N 2 1 340.487 1.047 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1ncccn1 ZINC000939394406 699544737 /nfs/dbraw/zinc/54/47/37/699544737.db2.gz BPVIPKVVGBYCJW-CVEARBPZSA-N 2 1 331.464 1.145 20 0 EDADMP C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1[NH2+]Cc1ccon1 ZINC000939506689 699630642 /nfs/dbraw/zinc/63/06/42/699630642.db2.gz QEOZKAGZJQGBMG-KSSFIOAISA-N 2 1 346.475 1.733 20 0 EDADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000939549558 699675003 /nfs/dbraw/zinc/67/50/03/699675003.db2.gz ATORHJGKFTUCDZ-CJNGLKHVSA-N 2 1 344.459 1.584 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC3CC3)C2)CC1 ZINC000941674456 701614423 /nfs/dbraw/zinc/61/44/23/701614423.db2.gz CAJCOQJDEQHYAQ-IBGZPJMESA-N 2 1 348.535 1.489 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000939746169 699911657 /nfs/dbraw/zinc/91/16/57/699911657.db2.gz FUJJEXLEEGYYRU-SUMWQHHRSA-N 2 1 330.407 1.967 20 0 EDADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1[NH2+]Cc1ccon1 ZINC000939806586 699955387 /nfs/dbraw/zinc/95/53/87/699955387.db2.gz KKSFCSDVKFRHND-KDOFPFPSSA-N 2 1 342.443 1.987 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncnn2C)CC1 ZINC000940141674 700269367 /nfs/dbraw/zinc/26/93/67/700269367.db2.gz BDLYKCHRLUGMHS-HNNXBMFYSA-N 2 1 348.495 1.160 20 0 EDADMP CC1CC(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000940174164 700328663 /nfs/dbraw/zinc/32/86/63/700328663.db2.gz QNBLVNDSBVMWRA-MNAZLIDISA-N 2 1 337.508 1.722 20 0 EDADMP CC1CC(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000940174164 700328667 /nfs/dbraw/zinc/32/86/67/700328667.db2.gz QNBLVNDSBVMWRA-MNAZLIDISA-N 2 1 337.508 1.722 20 0 EDADMP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cnsn2)C1)C12CC[NH+](CC1)C2 ZINC000995167211 701634673 /nfs/dbraw/zinc/63/46/73/701634673.db2.gz IKYLGYPPHBUXAG-STQMWFEESA-N 2 1 335.477 1.008 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1 ZINC000940327815 700505381 /nfs/dbraw/zinc/50/53/81/700505381.db2.gz VHYGIEYFRQDGPA-ZFWWWQNUSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC000940328580 700506753 /nfs/dbraw/zinc/50/67/53/700506753.db2.gz KZSFGYNDEDQNJS-PBHICJAKSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000940329256 700508581 /nfs/dbraw/zinc/50/85/81/700508581.db2.gz SQXQEMIPQAZDOO-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000940329255 700508702 /nfs/dbraw/zinc/50/87/02/700508702.db2.gz SQXQEMIPQAZDOO-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3ccns3)CC2)C1 ZINC000940329696 700509673 /nfs/dbraw/zinc/50/96/73/700509673.db2.gz XKCYJGOJJDKEQX-AWEZNQCLSA-N 2 1 336.505 1.956 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)n1 ZINC000940392455 700569288 /nfs/dbraw/zinc/56/92/88/700569288.db2.gz ANSJJOYRLXOATD-UHFFFAOYSA-N 2 1 349.479 1.581 20 0 EDADMP CCc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)no1 ZINC000995076551 700650903 /nfs/dbraw/zinc/65/09/03/700650903.db2.gz DFJAKBKTSQGOMB-UKRRQHHQSA-N 2 1 349.479 1.348 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940457890 700661870 /nfs/dbraw/zinc/66/18/70/700661870.db2.gz YWFCEBRZDHADSY-HNNXBMFYSA-N 2 1 348.495 1.281 20 0 EDADMP COc1cc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3C)CC2)on1 ZINC000940461829 700665303 /nfs/dbraw/zinc/66/53/03/700665303.db2.gz NBIBVAUPIRBQPN-UHFFFAOYSA-N 2 1 347.419 1.359 20 0 EDADMP CCc1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995082726 700726492 /nfs/dbraw/zinc/72/64/92/700726492.db2.gz ZLEKEIYEVKLLRH-HIFRSBDPSA-N 2 1 349.479 1.348 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCCO)CC2(C)C)CC[N@H+]1C ZINC000940756542 700892092 /nfs/dbraw/zinc/89/20/92/700892092.db2.gz BAILJSRZKODGLI-XHSDSOJGSA-N 2 1 325.497 1.316 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCCO)CC2(C)C)CC[NH+]1C ZINC000940756542 700892093 /nfs/dbraw/zinc/89/20/93/700892093.db2.gz BAILJSRZKODGLI-XHSDSOJGSA-N 2 1 325.497 1.316 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCO)CC2(C)C)CC[NH+]1C ZINC000940756542 700892094 /nfs/dbraw/zinc/89/20/94/700892094.db2.gz BAILJSRZKODGLI-XHSDSOJGSA-N 2 1 325.497 1.316 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000940799975 700917099 /nfs/dbraw/zinc/91/70/99/700917099.db2.gz UNVDJXGXWRPNEF-SJORKVTESA-N 2 1 339.524 1.827 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940799975 700917100 /nfs/dbraw/zinc/91/71/00/700917100.db2.gz UNVDJXGXWRPNEF-SJORKVTESA-N 2 1 339.524 1.827 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940799975 700917101 /nfs/dbraw/zinc/91/71/01/700917101.db2.gz UNVDJXGXWRPNEF-SJORKVTESA-N 2 1 339.524 1.827 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCn2cccn2)CC1(C)C ZINC000940893028 700967973 /nfs/dbraw/zinc/96/79/73/700967973.db2.gz MMKXEIWRPJVNMX-INIZCTEOSA-N 2 1 344.463 1.305 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)CC1(C)C ZINC000940893028 700967974 /nfs/dbraw/zinc/96/79/74/700967974.db2.gz MMKXEIWRPJVNMX-INIZCTEOSA-N 2 1 344.463 1.305 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940985699 701039879 /nfs/dbraw/zinc/03/98/79/701039879.db2.gz BLYPUCCWBQMJAY-DOTOQJQBSA-N 2 1 348.491 1.617 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940985699 701039880 /nfs/dbraw/zinc/03/98/80/701039880.db2.gz BLYPUCCWBQMJAY-DOTOQJQBSA-N 2 1 348.491 1.617 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941078687 701140336 /nfs/dbraw/zinc/14/03/36/701140336.db2.gz ISZDQAYGXKZLLK-WBVHZDCISA-N 2 1 339.524 1.970 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941078685 701140465 /nfs/dbraw/zinc/14/04/65/701140465.db2.gz ISZDQAYGXKZLLK-NVXWUHKLSA-N 2 1 339.524 1.970 20 0 EDADMP Cn1nccc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221030 701411528 /nfs/dbraw/zinc/41/15/28/701411528.db2.gz KNYGFMGQKLBMAY-INIZCTEOSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCOC2)CC1(C)C ZINC000941223899 701414293 /nfs/dbraw/zinc/41/42/93/701414293.db2.gz MYIMNIWBQKAVFB-CVEARBPZSA-N 2 1 334.464 1.445 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCOC2)CC1(C)C ZINC000941223899 701414294 /nfs/dbraw/zinc/41/42/94/701414294.db2.gz MYIMNIWBQKAVFB-CVEARBPZSA-N 2 1 334.464 1.445 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CCCO)CC2(C)C)c1 ZINC000941237138 701427723 /nfs/dbraw/zinc/42/77/23/701427723.db2.gz ITWHKRDUIOSANK-SFHVURJKSA-N 2 1 347.503 1.961 20 0 EDADMP Cc1ncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC[C@@H]3C2)o1 ZINC000946518531 706604170 /nfs/dbraw/zinc/60/41/70/706604170.db2.gz VTSAYNMVRWNWQU-JZXOWHBKSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC[C@@H]3C2)o1 ZINC000946518531 706604174 /nfs/dbraw/zinc/60/41/74/706604174.db2.gz VTSAYNMVRWNWQU-JZXOWHBKSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC[C@@H]3C2)o1 ZINC000946518531 706604175 /nfs/dbraw/zinc/60/41/75/706604175.db2.gz VTSAYNMVRWNWQU-JZXOWHBKSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128803 701800167 /nfs/dbraw/zinc/80/01/67/701800167.db2.gz KRDZTMIPVVFAOA-NVXWUHKLSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CCC3CCOCC3)C2)CC[N@H+]1C ZINC000999188664 706630003 /nfs/dbraw/zinc/63/00/03/706630003.db2.gz CJRFQEKLHIBIHS-KBAYOESNSA-N 2 1 337.508 1.724 20 0 EDADMP CCc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC000999189335 706631266 /nfs/dbraw/zinc/63/12/66/706631266.db2.gz KFIIGTNSTQCECY-BZUAXINKSA-N 2 1 348.491 1.966 20 0 EDADMP Cc1nc[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2nccnc2C)C[C@@H]1C ZINC000944442095 702021598 /nfs/dbraw/zinc/02/15/98/702021598.db2.gz BKXZNHRKVCBNLC-WFASDCNBSA-N 2 1 342.447 1.386 20 0 EDADMP Cc1nc[nH]c1CC(=O)N[C@H]1CCN(Cc2nccnc2C)C[C@@H]1C ZINC000944442095 702021604 /nfs/dbraw/zinc/02/16/04/702021604.db2.gz BKXZNHRKVCBNLC-WFASDCNBSA-N 2 1 342.447 1.386 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1C[C@H]([NH2+]Cc2nccs2)C(C)(C)C1)C1CC1 ZINC000995900815 702206948 /nfs/dbraw/zinc/20/69/48/702206948.db2.gz ZRZGSUASEDHXPB-ZFWWWQNUSA-N 2 1 336.505 1.810 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@H]3CCc4c3cc(F)cc4F)C2)C1 ZINC001032182802 702211836 /nfs/dbraw/zinc/21/18/36/702211836.db2.gz RGEMXEKXLKAXCV-UGSOOPFHSA-N 2 1 349.425 1.952 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@H]3CCc4c3cc(F)cc4F)C2)C1 ZINC001032182802 702211841 /nfs/dbraw/zinc/21/18/41/702211841.db2.gz RGEMXEKXLKAXCV-UGSOOPFHSA-N 2 1 349.425 1.952 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1)C1CC1 ZINC000995890544 702231479 /nfs/dbraw/zinc/23/14/79/702231479.db2.gz BTFSBHSSZOHMJY-GDBMZVCRSA-N 2 1 331.464 1.143 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1[NH2+]CCF ZINC000995891185 702233386 /nfs/dbraw/zinc/23/33/86/702233386.db2.gz CPNFTUQTHLVDMX-JKSUJKDBSA-N 2 1 341.471 1.426 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2nncs2)C(C)(C)C1)[NH+](C)C ZINC000995921777 702244440 /nfs/dbraw/zinc/24/44/40/702244440.db2.gz CBIWYEQOROLOAD-JSGCOSHPSA-N 2 1 339.509 1.451 20 0 EDADMP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1C ZINC001032186338 702323022 /nfs/dbraw/zinc/32/30/22/702323022.db2.gz OGBKJENEDGXLMI-QGZVFWFLSA-N 2 1 331.460 1.503 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)on1 ZINC000995984924 702345854 /nfs/dbraw/zinc/34/58/54/702345854.db2.gz VZBUURYUPPNNCA-CVEARBPZSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995986615 702348977 /nfs/dbraw/zinc/34/89/77/702348977.db2.gz ZCUCWHLDANDCQY-GDBMZVCRSA-N 2 1 334.464 1.794 20 0 EDADMP CCn1nncc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995972431 702357281 /nfs/dbraw/zinc/35/72/81/702357281.db2.gz DTJDWEVMMJZPCJ-HOTGVXAUSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)sn1 ZINC000944168257 702407679 /nfs/dbraw/zinc/40/76/79/702407679.db2.gz IGLVXTSHFQNWJO-CZUORRHYSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)co1 ZINC000944171182 702415624 /nfs/dbraw/zinc/41/56/24/702415624.db2.gz XIWDQCCZMRUPMS-CZUORRHYSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)co1 ZINC000944171182 702415626 /nfs/dbraw/zinc/41/56/26/702415626.db2.gz XIWDQCCZMRUPMS-CZUORRHYSA-N 2 1 332.448 1.405 20 0 EDADMP CCOC1CC(C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)C1 ZINC000996046063 702440143 /nfs/dbraw/zinc/44/01/43/702440143.db2.gz ZGTPKSHDSDBSKW-OFLPRAFFSA-N 2 1 348.491 1.833 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944154125 702443603 /nfs/dbraw/zinc/44/36/03/702443603.db2.gz KCQMKXMEMDPZQP-RDJZCZTQSA-N 2 1 328.460 1.504 20 0 EDADMP Cc1csc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC000944156893 702453213 /nfs/dbraw/zinc/45/32/13/702453213.db2.gz WLHDNWHWSDICHF-UKRRQHHQSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1csc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC000944156893 702453216 /nfs/dbraw/zinc/45/32/16/702453216.db2.gz WLHDNWHWSDICHF-UKRRQHHQSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)on1 ZINC000996293009 702685484 /nfs/dbraw/zinc/68/54/84/702685484.db2.gz AEIMJHNGJSAEPU-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)on1 ZINC000996300050 702690955 /nfs/dbraw/zinc/69/09/55/702690955.db2.gz JFYUYCMACWHBPN-GDBMZVCRSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)co1 ZINC000996300071 702691081 /nfs/dbraw/zinc/69/10/81/702691081.db2.gz JPTIOWWXEAEDLF-XJKSGUPXSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)co1 ZINC000996300071 702691082 /nfs/dbraw/zinc/69/10/82/702691082.db2.gz JPTIOWWXEAEDLF-XJKSGUPXSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996300205 702691550 /nfs/dbraw/zinc/69/15/50/702691550.db2.gz KGZGRXMOWTXMJA-WMLDXEAASA-N 2 1 347.507 1.539 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2nccn2C)C(C)(C)C1 ZINC000996300855 702692623 /nfs/dbraw/zinc/69/26/23/702692623.db2.gz OWCKBRNRHGOOJT-CABCVRRESA-N 2 1 333.480 1.231 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)[nH]1 ZINC000996465769 702793182 /nfs/dbraw/zinc/79/31/82/702793182.db2.gz YNMURLCLBDJOJE-CJNGLKHVSA-N 2 1 348.495 1.628 20 0 EDADMP CCc1noc(CN[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996512092 702831336 /nfs/dbraw/zinc/83/13/36/702831336.db2.gz AOGYAUPFPMTFTR-UONOGXRCSA-N 2 1 349.479 1.300 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996517692 702853208 /nfs/dbraw/zinc/85/32/08/702853208.db2.gz GMGFTAXBMUMLGG-WBVHZDCISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1csc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996607738 702911254 /nfs/dbraw/zinc/91/12/54/702911254.db2.gz DVWDSJFGBDGRMD-KGLIPLIRSA-N 2 1 336.505 1.730 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)CC[N@H+]1C ZINC000996604201 702913750 /nfs/dbraw/zinc/91/37/50/702913750.db2.gz SQNYEHNCJSCKSP-RYQLBKOJSA-N 2 1 337.508 1.724 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cscn3)CC2)CC[N@H+]1C ZINC000996613414 702918261 /nfs/dbraw/zinc/91/82/61/702918261.db2.gz YWWGYUDTJPPPMD-JKSUJKDBSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]C[C@H]3CC(C)(C)CO3)CC2)CC[N@H+]1C ZINC000996610120 702920922 /nfs/dbraw/zinc/92/09/22/702920922.db2.gz YOWDVEUXXZWHOA-DJIMGWMZSA-N 2 1 337.508 1.722 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000996617450 702924450 /nfs/dbraw/zinc/92/44/50/702924450.db2.gz AWFCSCQLYMXXGB-IRXDYDNUSA-N 2 1 349.500 1.692 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCOC3)CC2)C1 ZINC000996661330 702958477 /nfs/dbraw/zinc/95/84/77/702958477.db2.gz WVZJFLKBZHZQMU-SJORKVTESA-N 2 1 337.508 1.581 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(CO)cc1 ZINC001032312876 702959092 /nfs/dbraw/zinc/95/90/92/702959092.db2.gz AEXURDLMZZPSOZ-BZSNNMDCSA-N 2 1 329.444 1.058 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(CO)cc1 ZINC001032312876 702959093 /nfs/dbraw/zinc/95/90/93/702959093.db2.gz AEXURDLMZZPSOZ-BZSNNMDCSA-N 2 1 329.444 1.058 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(CO)cc1 ZINC001032312876 702959094 /nfs/dbraw/zinc/95/90/94/702959094.db2.gz AEXURDLMZZPSOZ-BZSNNMDCSA-N 2 1 329.444 1.058 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(CO)cc1 ZINC001032312876 702959095 /nfs/dbraw/zinc/95/90/95/702959095.db2.gz AEXURDLMZZPSOZ-BZSNNMDCSA-N 2 1 329.444 1.058 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)no2)CC1 ZINC000996661595 702959150 /nfs/dbraw/zinc/95/91/50/702959150.db2.gz MKDRZFZTFQWWQN-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([NH2+]CCC2CCOCC2)CC1)C1CCC1 ZINC000996664017 702962051 /nfs/dbraw/zinc/96/20/51/702962051.db2.gz CJQROJILVCIYGC-UHFFFAOYSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000996674603 702969749 /nfs/dbraw/zinc/96/97/49/702969749.db2.gz UZMPPWBGYRBPLH-HOTGVXAUSA-N 2 1 348.495 1.016 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000996674603 702969750 /nfs/dbraw/zinc/96/97/50/702969750.db2.gz UZMPPWBGYRBPLH-HOTGVXAUSA-N 2 1 348.495 1.016 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)C(C)(C)C1 ZINC000996670946 702972334 /nfs/dbraw/zinc/97/23/34/702972334.db2.gz LIONNBXYOAAWLX-HZPDHXFCSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1ccnc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996688324 702985654 /nfs/dbraw/zinc/98/56/54/702985654.db2.gz IAEDQKZBUIHUFP-QGZVFWFLSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1cncc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)c1 ZINC000996711072 703005962 /nfs/dbraw/zinc/00/59/62/703005962.db2.gz JDMXGMZQLIPKOZ-CRAIPNDOSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1cncc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)c1 ZINC000996711072 703005964 /nfs/dbraw/zinc/00/59/64/703005964.db2.gz JDMXGMZQLIPKOZ-CRAIPNDOSA-N 2 1 346.475 1.190 20 0 EDADMP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996715528 703010195 /nfs/dbraw/zinc/01/01/95/703010195.db2.gz GNIGWVKTLINURR-CVEARBPZSA-N 2 1 349.504 1.636 20 0 EDADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996715528 703010198 /nfs/dbraw/zinc/01/01/98/703010198.db2.gz GNIGWVKTLINURR-CVEARBPZSA-N 2 1 349.504 1.636 20 0 EDADMP Cc1cncn1CC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2C)C[C@@H]1C ZINC000942518348 703013245 /nfs/dbraw/zinc/01/32/45/703013245.db2.gz QOIAFCWPJGGGBG-KBXCAEBGSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2C)C[C@@H]1C ZINC000942518348 703013251 /nfs/dbraw/zinc/01/32/51/703013251.db2.gz QOIAFCWPJGGGBG-KBXCAEBGSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCOC2CCC2)C[C@@H]1C ZINC000942518403 703015606 /nfs/dbraw/zinc/01/56/06/703015606.db2.gz RAAMXLKPOLCDND-YOEHRIQHSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCOC2CCC2)C[C@@H]1C ZINC000942518403 703015609 /nfs/dbraw/zinc/01/56/09/703015609.db2.gz RAAMXLKPOLCDND-YOEHRIQHSA-N 2 1 334.464 1.587 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC000942529212 703030130 /nfs/dbraw/zinc/03/01/30/703030130.db2.gz HCWDCOBYPQUONF-QAPCUYQASA-N 2 1 333.476 1.223 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)o1 ZINC000996797670 703089779 /nfs/dbraw/zinc/08/97/79/703089779.db2.gz IKOZJTZIENWZTB-UHFFFAOYSA-N 2 1 340.387 1.420 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597140 703112075 /nfs/dbraw/zinc/11/20/75/703112075.db2.gz JCHRSDHTWQOGBN-MAUKXSAKSA-N 2 1 330.476 1.750 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)oc1C ZINC000942598126 703113087 /nfs/dbraw/zinc/11/30/87/703113087.db2.gz RSQKYNUPLKWTAH-DYVFJYSZSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)oc1C ZINC000942598126 703113089 /nfs/dbraw/zinc/11/30/89/703113089.db2.gz RSQKYNUPLKWTAH-DYVFJYSZSA-N 2 1 348.491 1.960 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3nnc(C)o3)CC2)C1 ZINC000996902085 703175997 /nfs/dbraw/zinc/17/59/97/703175997.db2.gz DBKKNFBTMNRHNO-HNNXBMFYSA-N 2 1 349.479 1.581 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3nnc(C)o3)CC2)C1 ZINC000996902085 703175998 /nfs/dbraw/zinc/17/59/98/703175998.db2.gz DBKKNFBTMNRHNO-HNNXBMFYSA-N 2 1 349.479 1.581 20 0 EDADMP CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000995267469 703187600 /nfs/dbraw/zinc/18/76/00/703187600.db2.gz LIEUGRSNQFPNHM-ZWKOTPCHSA-N 2 1 330.476 1.704 20 0 EDADMP CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000995267469 703187602 /nfs/dbraw/zinc/18/76/02/703187602.db2.gz LIEUGRSNQFPNHM-ZWKOTPCHSA-N 2 1 330.476 1.704 20 0 EDADMP CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000995267469 703187603 /nfs/dbraw/zinc/18/76/03/703187603.db2.gz LIEUGRSNQFPNHM-ZWKOTPCHSA-N 2 1 330.476 1.704 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)ncn1 ZINC000996923013 703194071 /nfs/dbraw/zinc/19/40/71/703194071.db2.gz QEYPCLSAVVDTLS-HOTGVXAUSA-N 2 1 345.491 1.596 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000942721050 703235508 /nfs/dbraw/zinc/23/55/08/703235508.db2.gz KUHNPQNSBFMVKF-YJBOKZPZSA-N 2 1 333.476 1.223 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)o1 ZINC000996998956 703255983 /nfs/dbraw/zinc/25/59/83/703255983.db2.gz KXXUWRZUJNNBPO-ZDUSSCGKSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1ccncc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000997004801 703262024 /nfs/dbraw/zinc/26/20/24/703262024.db2.gz GTQBHAHMVHXRCY-OAHLLOKOSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997005278 703262449 /nfs/dbraw/zinc/26/24/49/703262449.db2.gz HYJRAXJNCIHGSP-CHWSQXEVSA-N 2 1 335.452 1.361 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997005278 703262450 /nfs/dbraw/zinc/26/24/50/703262450.db2.gz HYJRAXJNCIHGSP-CHWSQXEVSA-N 2 1 335.452 1.361 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)sn1 ZINC000997006309 703263482 /nfs/dbraw/zinc/26/34/82/703263482.db2.gz KSKJNYVKWKPECJ-ZDUSSCGKSA-N 2 1 336.505 1.874 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC000997007173 703264539 /nfs/dbraw/zinc/26/45/39/703264539.db2.gz PCEUKAAJCSCHMJ-AWEZNQCLSA-N 2 1 349.479 1.615 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC000997007173 703264541 /nfs/dbraw/zinc/26/45/41/703264541.db2.gz PCEUKAAJCSCHMJ-AWEZNQCLSA-N 2 1 349.479 1.615 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000997009210 703269756 /nfs/dbraw/zinc/26/97/56/703269756.db2.gz YRSOLVMARWOEIS-CYBMUJFWSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000997009210 703269757 /nfs/dbraw/zinc/26/97/57/703269757.db2.gz YRSOLVMARWOEIS-CYBMUJFWSA-N 2 1 335.452 1.054 20 0 EDADMP Cc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997011383 703271642 /nfs/dbraw/zinc/27/16/42/703271642.db2.gz VHNZOIKFKCFIME-CZUORRHYSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)oc1C ZINC000997013187 703272841 /nfs/dbraw/zinc/27/28/41/703272841.db2.gz ZAJIJWPUBAPPFO-MLGOLLRUSA-N 2 1 334.464 1.570 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)oc1C ZINC000997013190 703272994 /nfs/dbraw/zinc/27/29/94/703272994.db2.gz ZAJIJWPUBAPPFO-WBMJQRKESA-N 2 1 334.464 1.570 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCC2)n1 ZINC001032408765 703436123 /nfs/dbraw/zinc/43/61/23/703436123.db2.gz HEXSGOXHNITMAB-HOTGVXAUSA-N 2 1 331.464 1.144 20 0 EDADMP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408713 703436176 /nfs/dbraw/zinc/43/61/76/703436176.db2.gz DKROAXNHUYCCFG-OKYOBFRVSA-N 2 1 349.519 1.819 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997181984 703466832 /nfs/dbraw/zinc/46/68/32/703466832.db2.gz FJSLCIDCLIBMFI-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997184058 703469640 /nfs/dbraw/zinc/46/96/40/703469640.db2.gz LXJUBPPJMXCPGM-LSDHHAIUSA-N 2 1 334.464 1.966 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000997260510 703539718 /nfs/dbraw/zinc/53/97/18/703539718.db2.gz IOBVURPFGIHJMU-SOLBZPMBSA-N 2 1 337.508 1.724 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997300511 703544142 /nfs/dbraw/zinc/54/41/42/703544142.db2.gz WJWVXWWKXCICKS-STQMWFEESA-N 2 1 335.452 1.225 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC000997300886 703544522 /nfs/dbraw/zinc/54/45/22/703544522.db2.gz YWHVJDAEXNDYJL-CQSZACIVSA-N 2 1 336.505 1.792 20 0 EDADMP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997297203 703555571 /nfs/dbraw/zinc/55/55/71/703555571.db2.gz CUGLYQFJXQLNMT-OAHLLOKOSA-N 2 1 332.448 1.123 20 0 EDADMP Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c(C)n1 ZINC000997297867 703556116 /nfs/dbraw/zinc/55/61/16/703556116.db2.gz GQYUPDKSQUMLHU-QGZVFWFLSA-N 2 1 330.476 1.731 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000997297951 703556150 /nfs/dbraw/zinc/55/61/50/703556150.db2.gz HRUMVAGMIWPQGT-GFCCVEGCSA-N 2 1 337.493 1.133 20 0 EDADMP CC(C)(C)c1noc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000997307099 703565584 /nfs/dbraw/zinc/56/55/84/703565584.db2.gz OXHGTSQFPCYQMT-UHFFFAOYSA-N 2 1 349.479 1.544 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)nn1C ZINC000997311148 703567735 /nfs/dbraw/zinc/56/77/35/703567735.db2.gz XBVBNAYDJSWCHF-UHFFFAOYSA-N 2 1 330.436 1.014 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnoc2C)CC1 ZINC000997366906 703600923 /nfs/dbraw/zinc/60/09/23/703600923.db2.gz PGNXIGBZDCBZGX-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000997367205 703601285 /nfs/dbraw/zinc/60/12/85/703601285.db2.gz XHCIRMOINZBTHQ-OAHLLOKOSA-N 2 1 337.493 1.493 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000997367205 703601287 /nfs/dbraw/zinc/60/12/87/703601287.db2.gz XHCIRMOINZBTHQ-OAHLLOKOSA-N 2 1 337.493 1.493 20 0 EDADMP CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997433208 703664121 /nfs/dbraw/zinc/66/41/21/703664121.db2.gz DFJFAQLOIHPTNW-WBVHZDCISA-N 2 1 325.497 1.724 20 0 EDADMP CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997433208 703664123 /nfs/dbraw/zinc/66/41/23/703664123.db2.gz DFJFAQLOIHPTNW-WBVHZDCISA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000997420322 703670269 /nfs/dbraw/zinc/67/02/69/703670269.db2.gz HEZYTIGLLXRVPL-QAPCUYQASA-N 2 1 330.476 1.750 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000997531601 703784347 /nfs/dbraw/zinc/78/43/47/703784347.db2.gz RMEFTQXYNFVUIB-LPHOPBHVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000997531601 703784348 /nfs/dbraw/zinc/78/43/48/703784348.db2.gz RMEFTQXYNFVUIB-LPHOPBHVSA-N 2 1 345.487 1.734 20 0 EDADMP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCOC1 ZINC001032500956 703817701 /nfs/dbraw/zinc/81/77/01/703817701.db2.gz MZBBXVVZOZGIGX-WBAXXEDZSA-N 2 1 340.427 1.660 20 0 EDADMP CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000997611488 703911325 /nfs/dbraw/zinc/91/13/25/703911325.db2.gz FWDXAWFDLZJGAX-QGZVFWFLSA-N 2 1 333.480 1.325 20 0 EDADMP COc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)c1 ZINC000995551353 703956328 /nfs/dbraw/zinc/95/63/28/703956328.db2.gz MFXYCOJDEPQCFL-IAGOWNOFSA-N 2 1 346.475 1.511 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995551863 703958153 /nfs/dbraw/zinc/95/81/53/703958153.db2.gz OSZLHCOPPSHJPU-LSDHHAIUSA-N 2 1 348.495 1.280 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995551863 703958156 /nfs/dbraw/zinc/95/81/56/703958156.db2.gz OSZLHCOPPSHJPU-LSDHHAIUSA-N 2 1 348.495 1.280 20 0 EDADMP CCOC1CC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2c[nH+]cc2C)C1 ZINC001032522080 703975737 /nfs/dbraw/zinc/97/57/37/703975737.db2.gz RSFGJTCMUANDDX-YZUHTNEWSA-N 2 1 332.448 1.292 20 0 EDADMP CCOC1CC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2c[nH+]cc2C)C1 ZINC001032522080 703975739 /nfs/dbraw/zinc/97/57/39/703975739.db2.gz RSFGJTCMUANDDX-YZUHTNEWSA-N 2 1 332.448 1.292 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]CCn3cccn3)C2)C1 ZINC000999291204 706786524 /nfs/dbraw/zinc/78/65/24/706786524.db2.gz QIKSQFDVAKNSOJ-WWDZGPRUSA-N 2 1 347.507 1.584 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ncnn3C)C2)C1 ZINC000999291178 706786573 /nfs/dbraw/zinc/78/65/73/706786573.db2.gz PNFPOABFGLOCQH-QQFBHYJXSA-N 2 1 348.495 1.016 20 0 EDADMP COc1cc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccn1 ZINC001033093753 704171362 /nfs/dbraw/zinc/17/13/62/704171362.db2.gz DIIOUIJVFOQLFY-HYVNUMGLSA-N 2 1 346.475 1.463 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)ccn1 ZINC001033093753 704171364 /nfs/dbraw/zinc/17/13/64/704171364.db2.gz DIIOUIJVFOQLFY-HYVNUMGLSA-N 2 1 346.475 1.463 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)ccn1 ZINC001033093753 704171368 /nfs/dbraw/zinc/17/13/68/704171368.db2.gz DIIOUIJVFOQLFY-HYVNUMGLSA-N 2 1 346.475 1.463 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccn1 ZINC001033093753 704171370 /nfs/dbraw/zinc/17/13/70/704171370.db2.gz DIIOUIJVFOQLFY-HYVNUMGLSA-N 2 1 346.475 1.463 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccn1 ZINC001033093753 704171371 /nfs/dbraw/zinc/17/13/71/704171371.db2.gz DIIOUIJVFOQLFY-HYVNUMGLSA-N 2 1 346.475 1.463 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnon4)C[C@H]3CC2)CC[N@H+]1C ZINC000946595154 704271120 /nfs/dbraw/zinc/27/11/20/704271120.db2.gz LEQFQIOELIUFEI-PNBKFKSVSA-N 2 1 347.463 1.080 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cnon4)C[C@H]3CC2)CC[NH+]1C ZINC000946595154 704271122 /nfs/dbraw/zinc/27/11/22/704271122.db2.gz LEQFQIOELIUFEI-PNBKFKSVSA-N 2 1 347.463 1.080 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cnon4)C[C@H]3CC2)CC[NH+]1C ZINC000946595154 704271125 /nfs/dbraw/zinc/27/11/25/704271125.db2.gz LEQFQIOELIUFEI-PNBKFKSVSA-N 2 1 347.463 1.080 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccnc2C)C1 ZINC000999307445 706807648 /nfs/dbraw/zinc/80/76/48/706807648.db2.gz OGUHBPFLABRIQK-WMZOPIPTSA-N 2 1 345.491 1.740 20 0 EDADMP O=C(NCc1ccc2c[nH+]cn2c1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000922834304 704399561 /nfs/dbraw/zinc/39/95/61/704399561.db2.gz JWVOUZIDULVHTK-HOTGVXAUSA-N 2 1 345.472 1.713 20 0 EDADMP C[C@H]1[C@H](NC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CC[N@H+]1C ZINC000922878606 704444550 /nfs/dbraw/zinc/44/45/50/704444550.db2.gz OSNVQHXTGJKJOQ-LLLHUVSDSA-N 2 1 331.464 1.466 20 0 EDADMP C[C@H]1[C@H](NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC[NH+]1C ZINC000922878606 704444551 /nfs/dbraw/zinc/44/45/51/704444551.db2.gz OSNVQHXTGJKJOQ-LLLHUVSDSA-N 2 1 331.464 1.466 20 0 EDADMP C[C@H]1[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC[NH+]1C ZINC000922878606 704444552 /nfs/dbraw/zinc/44/45/52/704444552.db2.gz OSNVQHXTGJKJOQ-LLLHUVSDSA-N 2 1 331.464 1.466 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)C1 ZINC000995604730 704568106 /nfs/dbraw/zinc/56/81/06/704568106.db2.gz MROXIDVCGSRLAF-KBPBESRZSA-N 2 1 345.434 1.189 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)C1 ZINC000995604730 704568107 /nfs/dbraw/zinc/56/81/07/704568107.db2.gz MROXIDVCGSRLAF-KBPBESRZSA-N 2 1 345.434 1.189 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC000997786467 704692474 /nfs/dbraw/zinc/69/24/74/704692474.db2.gz QOEOVZXXFVVPQV-RHSMWYFYSA-N 2 1 333.480 1.089 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)C1 ZINC000997826113 704745113 /nfs/dbraw/zinc/74/51/13/704745113.db2.gz JMGFCZLPJZAIJV-INIZCTEOSA-N 2 1 349.479 1.376 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000997830248 704748665 /nfs/dbraw/zinc/74/86/65/704748665.db2.gz GDEXGBMSTOWJTO-MRXNPFEDSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000997860761 704771380 /nfs/dbraw/zinc/77/13/80/704771380.db2.gz CUFNEHIXFSWVSE-CJNGLKHVSA-N 2 1 349.479 1.752 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1)c1ncccn1 ZINC000997866093 704772934 /nfs/dbraw/zinc/77/29/34/704772934.db2.gz QCMUAWZIROYFDV-WBVHZDCISA-N 2 1 345.491 1.850 20 0 EDADMP Cc1nccnc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997868313 704773659 /nfs/dbraw/zinc/77/36/59/704773659.db2.gz SUOGSIZMUBGPER-YOEHRIQHSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944945325 704798238 /nfs/dbraw/zinc/79/82/38/704798238.db2.gz RDULMHBAMQAIHE-WMLDXEAASA-N 2 1 334.439 1.643 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944945325 704798239 /nfs/dbraw/zinc/79/82/39/704798239.db2.gz RDULMHBAMQAIHE-WMLDXEAASA-N 2 1 334.439 1.643 20 0 EDADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944945911 704798965 /nfs/dbraw/zinc/79/89/65/704798965.db2.gz UIUWXWMWQFMJKF-GDBMZVCRSA-N 2 1 348.495 1.029 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](O)c1ccc(F)cc1 ZINC001032564587 704820319 /nfs/dbraw/zinc/82/03/19/704820319.db2.gz SGXZXKUPQZOLAD-FJIDUMEYSA-N 2 1 347.434 1.238 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](O)c1ccc(F)cc1 ZINC001032564587 704820325 /nfs/dbraw/zinc/82/03/25/704820325.db2.gz SGXZXKUPQZOLAD-FJIDUMEYSA-N 2 1 347.434 1.238 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)c1ccc(F)cc1 ZINC001032564587 704820331 /nfs/dbraw/zinc/82/03/31/704820331.db2.gz SGXZXKUPQZOLAD-FJIDUMEYSA-N 2 1 347.434 1.238 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)c1ccc(F)cc1 ZINC001032564587 704820336 /nfs/dbraw/zinc/82/03/36/704820336.db2.gz SGXZXKUPQZOLAD-FJIDUMEYSA-N 2 1 347.434 1.238 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944964562 704832436 /nfs/dbraw/zinc/83/24/36/704832436.db2.gz JPKXPPYNJSHLIK-SUMWQHHRSA-N 2 1 344.463 1.260 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944964562 704832442 /nfs/dbraw/zinc/83/24/42/704832442.db2.gz JPKXPPYNJSHLIK-SUMWQHHRSA-N 2 1 344.463 1.260 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C)C1CCCC1 ZINC001032573864 704952547 /nfs/dbraw/zinc/95/25/47/704952547.db2.gz VBKVUVSHBLFTKU-VJANTYMQSA-N 2 1 349.519 1.961 20 0 EDADMP CO[C@@H](C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001032573864 704952550 /nfs/dbraw/zinc/95/25/50/704952550.db2.gz VBKVUVSHBLFTKU-VJANTYMQSA-N 2 1 349.519 1.961 20 0 EDADMP CO[C@@H](C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001032573864 704952551 /nfs/dbraw/zinc/95/25/51/704952551.db2.gz VBKVUVSHBLFTKU-VJANTYMQSA-N 2 1 349.519 1.961 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998054146 705259054 /nfs/dbraw/zinc/25/90/54/705259054.db2.gz VYRXPZXURMKGBV-INIZCTEOSA-N 2 1 344.459 1.952 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3ccns3)CC2)C1 ZINC000998080921 705300339 /nfs/dbraw/zinc/30/03/39/705300339.db2.gz FWLAQDOGFQUPHP-CQSZACIVSA-N 2 1 336.505 1.813 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC[N@@H+](C[C@@H](C)OC)CC1 ZINC000998175235 705470674 /nfs/dbraw/zinc/47/06/74/705470674.db2.gz AZXKXELACXVUMU-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(F)(F)C1)[NH+](C)C ZINC001032610969 705580828 /nfs/dbraw/zinc/58/08/28/705580828.db2.gz BBKNCPUHHXSHSC-SOUVJXGZSA-N 2 1 329.435 1.903 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2C)o1 ZINC000945332280 705644057 /nfs/dbraw/zinc/64/40/57/705644057.db2.gz BVYHDNNEHCDSOK-GDBMZVCRSA-N 2 1 337.464 1.554 20 0 EDADMP COc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000998274289 705655298 /nfs/dbraw/zinc/65/52/98/705655298.db2.gz SLSCQJHLCIIZNT-SFHVURJKSA-N 2 1 345.487 1.975 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCO)C3)CC1 ZINC001040479400 705671154 /nfs/dbraw/zinc/67/11/54/705671154.db2.gz QMNSMMCERICJAH-IBGZPJMESA-N 2 1 337.508 1.414 20 0 EDADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C)c1 ZINC000998586840 706025789 /nfs/dbraw/zinc/02/57/89/706025789.db2.gz RBICJMRGMAXEKS-CTWPCTMYSA-N 2 1 345.487 1.713 20 0 EDADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C)c1 ZINC000998586840 706025793 /nfs/dbraw/zinc/02/57/93/706025793.db2.gz RBICJMRGMAXEKS-CTWPCTMYSA-N 2 1 345.487 1.713 20 0 EDADMP CCc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cs1 ZINC000998728639 706158971 /nfs/dbraw/zinc/15/89/71/706158971.db2.gz CXIJYWZYIPETPE-HIFRSBDPSA-N 2 1 336.505 1.880 20 0 EDADMP CCc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC000998728639 706158972 /nfs/dbraw/zinc/15/89/72/706158972.db2.gz CXIJYWZYIPETPE-HIFRSBDPSA-N 2 1 336.505 1.880 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2csc(Cl)n2)C1 ZINC000998730223 706162426 /nfs/dbraw/zinc/16/24/26/706162426.db2.gz JLPGTDSREUMKJA-YPMHNXCESA-N 2 1 342.896 1.971 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2csc(Cl)n2)C1 ZINC000998730223 706162430 /nfs/dbraw/zinc/16/24/30/706162430.db2.gz JLPGTDSREUMKJA-YPMHNXCESA-N 2 1 342.896 1.971 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000998865740 706295682 /nfs/dbraw/zinc/29/56/82/706295682.db2.gz HXFWBDSTVVDYCZ-YMAMQOFZSA-N 2 1 334.468 1.067 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccon3)C2)C1 ZINC000998887165 706329697 /nfs/dbraw/zinc/32/96/97/706329697.db2.gz HBCZFDPIUSOQBZ-ODIFPOPNSA-N 2 1 334.464 1.732 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccon3)C2)C1 ZINC000998887165 706329700 /nfs/dbraw/zinc/32/97/00/706329700.db2.gz HBCZFDPIUSOQBZ-ODIFPOPNSA-N 2 1 334.464 1.732 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999142642 706556021 /nfs/dbraw/zinc/55/60/21/706556021.db2.gz CFPSFUANCHWALT-IRXDYDNUSA-N 2 1 347.507 1.856 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H](NCc2cnn(C)n2)C1 ZINC000999350726 706863234 /nfs/dbraw/zinc/86/32/34/706863234.db2.gz ANMDNLDCDFUWAH-DOTOQJQBSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000999350726 706863236 /nfs/dbraw/zinc/86/32/36/706863236.db2.gz ANMDNLDCDFUWAH-DOTOQJQBSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000999350726 706863239 /nfs/dbraw/zinc/86/32/39/706863239.db2.gz ANMDNLDCDFUWAH-DOTOQJQBSA-N 2 1 348.495 1.159 20 0 EDADMP COc1cc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)on1 ZINC000999373087 706867651 /nfs/dbraw/zinc/86/76/51/706867651.db2.gz DFIWMWCAZGXKCV-ZDUSSCGKSA-N 2 1 336.436 1.248 20 0 EDADMP CCCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999372097 706886494 /nfs/dbraw/zinc/88/64/94/706886494.db2.gz OCDUTNSEQGEBLO-WBVHZDCISA-N 2 1 348.495 1.109 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999397935 706892244 /nfs/dbraw/zinc/89/22/44/706892244.db2.gz AJXWCFSGTCVNGA-ZWKOTPCHSA-N 2 1 347.507 1.684 20 0 EDADMP CCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999399170 706893897 /nfs/dbraw/zinc/89/38/97/706893897.db2.gz FLNCZXYBEYBUNS-HZPDHXFCSA-N 2 1 348.495 1.253 20 0 EDADMP CCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999399170 706893899 /nfs/dbraw/zinc/89/38/99/706893899.db2.gz FLNCZXYBEYBUNS-HZPDHXFCSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000999401900 706909650 /nfs/dbraw/zinc/90/96/50/706909650.db2.gz QRJSREBFEDDIIJ-SJORKVTESA-N 2 1 345.491 1.740 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000999401900 706909654 /nfs/dbraw/zinc/90/96/54/706909654.db2.gz QRJSREBFEDDIIJ-SJORKVTESA-N 2 1 345.491 1.740 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)o1 ZINC000999404676 706913680 /nfs/dbraw/zinc/91/36/80/706913680.db2.gz YRWWZSKSEGWTLF-NFOMZHRRSA-N 2 1 349.479 1.614 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)o1 ZINC000999404676 706913682 /nfs/dbraw/zinc/91/36/82/706913682.db2.gz YRWWZSKSEGWTLF-NFOMZHRRSA-N 2 1 349.479 1.614 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3nnc(C4CC4)o3)C2)C1 ZINC000999404723 706913949 /nfs/dbraw/zinc/91/39/49/706913949.db2.gz ZKTAKEWMFXBPPI-GRTSSRMGSA-N 2 1 347.463 1.368 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3nnc(C4CC4)o3)C2)C1 ZINC000999404723 706913952 /nfs/dbraw/zinc/91/39/52/706913952.db2.gz ZKTAKEWMFXBPPI-GRTSSRMGSA-N 2 1 347.463 1.368 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)[nH]1 ZINC000999406603 706915448 /nfs/dbraw/zinc/91/54/48/706915448.db2.gz OMXLSGZGYXQLQY-WLYUNCDWSA-N 2 1 348.495 1.491 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC000999431676 706938877 /nfs/dbraw/zinc/93/88/77/706938877.db2.gz CZZWNNYYYDAEBD-RDJZCZTQSA-N 2 1 333.480 1.452 20 0 EDADMP O=C(N1CCC[C@H]([NH2+]Cc2cscn2)C1)C12CCC[NH+]1CCC2 ZINC000999598495 707101191 /nfs/dbraw/zinc/10/11/91/707101191.db2.gz UWYRNTNFCGOZCY-AWEZNQCLSA-N 2 1 334.489 1.852 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]Cc3csnn3)C2)CC1 ZINC000999599136 707101560 /nfs/dbraw/zinc/10/15/60/707101560.db2.gz QMXZYUUURHJJJN-UHFFFAOYSA-N 2 1 337.493 1.349 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000999700688 707230674 /nfs/dbraw/zinc/23/06/74/707230674.db2.gz XUQSRWKEVMBVDG-UHFFFAOYSA-N 2 1 335.477 1.021 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999687760 707241551 /nfs/dbraw/zinc/24/15/51/707241551.db2.gz JGQQBTIICSYUTN-VIQWUECVSA-N 2 1 345.487 1.600 20 0 EDADMP CC(C)n1ccc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999688525 707243533 /nfs/dbraw/zinc/24/35/33/707243533.db2.gz NUIPHDLUSJPDGR-ZLPCBKJTSA-N 2 1 347.507 1.885 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999689303 707244333 /nfs/dbraw/zinc/24/43/33/707244333.db2.gz RFHJAGDDXWKCHO-JEYLPNPQSA-N 2 1 346.475 1.973 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000999690057 707246516 /nfs/dbraw/zinc/24/65/16/707246516.db2.gz UVXKBBSGTJHGMG-UQPPLGOBSA-N 2 1 331.464 1.206 20 0 EDADMP CCc1cc(NC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC001060885519 707313189 /nfs/dbraw/zinc/31/31/89/707313189.db2.gz SKQRRGKKYFKKCK-HNNXBMFYSA-N 2 1 345.491 1.950 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC001060885520 707313458 /nfs/dbraw/zinc/31/34/58/707313458.db2.gz SKQRRGKKYFKKCK-OAHLLOKOSA-N 2 1 345.491 1.950 20 0 EDADMP CN(C(=O)Cn1c[nH+]c2c1CCCC2)[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033269725 707317463 /nfs/dbraw/zinc/31/74/63/707317463.db2.gz UYDAHSQTLBHLLD-JKSUJKDBSA-N 2 1 346.475 1.331 20 0 EDADMP CN(C(=O)Cn1c[nH+]c2c1CCCC2)[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033269725 707317465 /nfs/dbraw/zinc/31/74/65/707317465.db2.gz UYDAHSQTLBHLLD-JKSUJKDBSA-N 2 1 346.475 1.331 20 0 EDADMP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033294787 707419836 /nfs/dbraw/zinc/41/98/36/707419836.db2.gz FNPMNOJMXQYWPH-ZWKOTPCHSA-N 2 1 345.491 1.290 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2noc3c2CCCC3)C1 ZINC000999832563 707464012 /nfs/dbraw/zinc/46/40/12/707464012.db2.gz TWVGSFVWBCHILE-WLYUNCDWSA-N 2 1 346.475 1.584 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000999834927 707466452 /nfs/dbraw/zinc/46/64/52/707466452.db2.gz DVLHMGABAYVVTI-NFOMZHRRSA-N 2 1 332.448 1.583 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000999834927 707466455 /nfs/dbraw/zinc/46/64/55/707466455.db2.gz DVLHMGABAYVVTI-NFOMZHRRSA-N 2 1 332.448 1.583 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)[nH]1 ZINC000999877319 707525797 /nfs/dbraw/zinc/52/57/97/707525797.db2.gz ROFHLXGYAUUERK-HIFRSBDPSA-N 2 1 348.495 1.629 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nonc3C)C2)C1 ZINC000999972023 707582453 /nfs/dbraw/zinc/58/24/53/707582453.db2.gz FISAJYDJXCHHKB-HOTGVXAUSA-N 2 1 349.479 1.581 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nonc3C)C2)C1 ZINC000999972023 707582456 /nfs/dbraw/zinc/58/24/56/707582456.db2.gz FISAJYDJXCHHKB-HOTGVXAUSA-N 2 1 349.479 1.581 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CCOCC1 ZINC001004903549 707594781 /nfs/dbraw/zinc/59/47/81/707594781.db2.gz WFXBWLXNULHCFF-WMZOPIPTSA-N 2 1 348.491 1.977 20 0 EDADMP CC[N@H+]1CC[C@@H](n2cc(CNC(=O)C34CCC[NH+](CCC3)C4)nn2)C1 ZINC000999991871 707667691 /nfs/dbraw/zinc/66/76/91/707667691.db2.gz LXPUWVAAMGIAPM-MRXNPFEDSA-N 2 1 346.479 1.037 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2cccs2)C1 ZINC001032731888 707735377 /nfs/dbraw/zinc/73/53/77/707735377.db2.gz RRHAEMDWJATYIX-PMPSAXMXSA-N 2 1 333.501 1.918 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2cccs2)C1 ZINC001032731888 707735383 /nfs/dbraw/zinc/73/53/83/707735383.db2.gz RRHAEMDWJATYIX-PMPSAXMXSA-N 2 1 333.501 1.918 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2cccs2)C1 ZINC001032731888 707735388 /nfs/dbraw/zinc/73/53/88/707735388.db2.gz RRHAEMDWJATYIX-PMPSAXMXSA-N 2 1 333.501 1.918 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)ccn1 ZINC001033386286 707752982 /nfs/dbraw/zinc/75/29/82/707752982.db2.gz BTYHZRCDROAWQC-KRWDZBQOSA-N 2 1 346.475 1.465 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)ccn1 ZINC001033386286 707752987 /nfs/dbraw/zinc/75/29/87/707752987.db2.gz BTYHZRCDROAWQC-KRWDZBQOSA-N 2 1 346.475 1.465 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033417291 707799474 /nfs/dbraw/zinc/79/94/74/707799474.db2.gz VWUPVSINCHXFKC-HIFRSBDPSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033417291 707799477 /nfs/dbraw/zinc/79/94/77/707799477.db2.gz VWUPVSINCHXFKC-HIFRSBDPSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncsc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033417291 707799480 /nfs/dbraw/zinc/79/94/80/707799480.db2.gz VWUPVSINCHXFKC-HIFRSBDPSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033417291 707799484 /nfs/dbraw/zinc/79/94/84/707799484.db2.gz VWUPVSINCHXFKC-HIFRSBDPSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1nnc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)o1 ZINC001004976474 707810291 /nfs/dbraw/zinc/81/02/91/707810291.db2.gz GFWMRBOBAOKMRR-DZGCQCFKSA-N 2 1 347.463 1.333 20 0 EDADMP Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC001000194465 707830982 /nfs/dbraw/zinc/83/09/82/707830982.db2.gz VPWGWHFHCVMROO-QAPCUYQASA-N 2 1 330.476 1.812 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001033424598 707841981 /nfs/dbraw/zinc/84/19/81/707841981.db2.gz DTWIIMWGFIBYHX-QGZVFWFLSA-N 2 1 347.507 1.227 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033424598 707841983 /nfs/dbraw/zinc/84/19/83/707841983.db2.gz DTWIIMWGFIBYHX-QGZVFWFLSA-N 2 1 347.507 1.227 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033424598 707841985 /nfs/dbraw/zinc/84/19/85/707841985.db2.gz DTWIIMWGFIBYHX-QGZVFWFLSA-N 2 1 347.507 1.227 20 0 EDADMP CCOC1CC(C[N@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001033228895 707879457 /nfs/dbraw/zinc/87/94/57/707879457.db2.gz PSAQBIVLZOZEGQ-LXPRWKDFSA-N 2 1 349.519 1.963 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC4CCCC4)C[C@H]3CC2)C1 ZINC000946536662 707896433 /nfs/dbraw/zinc/89/64/33/707896433.db2.gz SPQZXQPNIDDOSD-CEXWTWQISA-N 2 1 349.519 1.678 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC4CCCC4)C[C@H]3CC2)C1 ZINC000946536662 707896438 /nfs/dbraw/zinc/89/64/38/707896438.db2.gz SPQZXQPNIDDOSD-CEXWTWQISA-N 2 1 349.519 1.678 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC4CCCC4)C[C@H]3CC2)C1 ZINC000946536662 707896441 /nfs/dbraw/zinc/89/64/41/707896441.db2.gz SPQZXQPNIDDOSD-CEXWTWQISA-N 2 1 349.519 1.678 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC4CCCC4)C[C@H]3CC2)C1 ZINC000946536662 707896447 /nfs/dbraw/zinc/89/64/47/707896447.db2.gz SPQZXQPNIDDOSD-CEXWTWQISA-N 2 1 349.519 1.678 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033475741 707965913 /nfs/dbraw/zinc/96/59/13/707965913.db2.gz QXPIIXWGHSCSMR-KRWDZBQOSA-N 2 1 333.480 1.148 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc3cc[nH]c3c2)C1 ZINC001032781082 707967375 /nfs/dbraw/zinc/96/73/75/707967375.db2.gz IWSAWMWTVKBAKU-SQNIBIBYSA-N 2 1 338.455 1.905 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc3cc[nH]c3c2)C1 ZINC001032781082 707967378 /nfs/dbraw/zinc/96/73/78/707967378.db2.gz IWSAWMWTVKBAKU-SQNIBIBYSA-N 2 1 338.455 1.905 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc3cc[nH]c3c2)C1 ZINC001032781082 707967382 /nfs/dbraw/zinc/96/73/82/707967382.db2.gz IWSAWMWTVKBAKU-SQNIBIBYSA-N 2 1 338.455 1.905 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cccc(F)c1 ZINC001032782597 707975658 /nfs/dbraw/zinc/97/56/58/707975658.db2.gz IALVBDXRBMJDHO-IRXDYDNUSA-N 2 1 328.391 1.816 20 0 EDADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCOCC1 ZINC001032783786 707980876 /nfs/dbraw/zinc/98/08/76/707980876.db2.gz RDMAVDZLGHLJCB-ROUUACIJSA-N 2 1 335.492 1.574 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2(C3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)C1 ZINC001000333952 707985910 /nfs/dbraw/zinc/98/59/10/707985910.db2.gz ULNFMTZBYWZSDZ-JKSUJKDBSA-N 2 1 335.492 1.335 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)oc1C ZINC001000708713 708062748 /nfs/dbraw/zinc/06/27/48/708062748.db2.gz GDYJZOIRNCUIHX-HNNXBMFYSA-N 2 1 332.448 1.468 20 0 EDADMP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCc2sccc2C1 ZINC001032797747 708070866 /nfs/dbraw/zinc/07/08/66/708070866.db2.gz DRBTYDXXQZZLGH-KBMXLJTQSA-N 2 1 349.500 1.426 20 0 EDADMP CO[C@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCc2sccc2C1 ZINC001032797747 708070868 /nfs/dbraw/zinc/07/08/68/708070868.db2.gz DRBTYDXXQZZLGH-KBMXLJTQSA-N 2 1 349.500 1.426 20 0 EDADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@H]1CCOC1 ZINC001032800813 708083596 /nfs/dbraw/zinc/08/35/96/708083596.db2.gz AYZDCHBPDGQTCQ-FHWLQOOXSA-N 2 1 349.519 1.964 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001033548663 708180252 /nfs/dbraw/zinc/18/02/52/708180252.db2.gz SLUMAAAKTJYHBR-FUHWJXTLSA-N 2 1 337.508 1.676 20 0 EDADMP CC[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1)OC ZINC001033586563 708276993 /nfs/dbraw/zinc/27/69/93/708276993.db2.gz WRLXSKMSHTYZAP-HUUCEWRRSA-N 2 1 334.464 1.719 20 0 EDADMP CC[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1)OC ZINC001033586563 708276995 /nfs/dbraw/zinc/27/69/95/708276995.db2.gz WRLXSKMSHTYZAP-HUUCEWRRSA-N 2 1 334.464 1.719 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001033591334 708289108 /nfs/dbraw/zinc/28/91/08/708289108.db2.gz AWFGDOUTWKCKPH-DLBZAZTESA-N 2 1 335.492 1.432 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001033591995 708290012 /nfs/dbraw/zinc/29/00/12/708290012.db2.gz DONJLLGWOSXVFL-KRWDZBQOSA-N 2 1 343.471 1.824 20 0 EDADMP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001033594496 708296368 /nfs/dbraw/zinc/29/63/68/708296368.db2.gz QMUNZGQRIQFKOI-JKSUJKDBSA-N 2 1 343.475 1.475 20 0 EDADMP Cc1cnc([C@H](C)[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001033594496 708296369 /nfs/dbraw/zinc/29/63/69/708296369.db2.gz QMUNZGQRIQFKOI-JKSUJKDBSA-N 2 1 343.475 1.475 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001033595438 708299298 /nfs/dbraw/zinc/29/92/98/708299298.db2.gz TZTXPPYCVNNGDK-ZIAGYGMSSA-N 2 1 343.418 1.039 20 0 EDADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033584087 708309338 /nfs/dbraw/zinc/30/93/38/708309338.db2.gz ZXYFZYVIUYGOKM-HIFRSBDPSA-N 2 1 329.435 1.906 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001033584087 708309342 /nfs/dbraw/zinc/30/93/42/708309342.db2.gz ZXYFZYVIUYGOKM-HIFRSBDPSA-N 2 1 329.435 1.906 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001033584087 708309346 /nfs/dbraw/zinc/30/93/46/708309346.db2.gz ZXYFZYVIUYGOKM-HIFRSBDPSA-N 2 1 329.435 1.906 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC001033656992 708427423 /nfs/dbraw/zinc/42/74/23/708427423.db2.gz HESOOMKWVOHNIV-QGZVFWFLSA-N 2 1 349.450 1.447 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC001033656992 708427427 /nfs/dbraw/zinc/42/74/27/708427427.db2.gz HESOOMKWVOHNIV-QGZVFWFLSA-N 2 1 349.450 1.447 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC001033664307 708445891 /nfs/dbraw/zinc/44/58/91/708445891.db2.gz FQPJBDQVDDPLCX-KRWDZBQOSA-N 2 1 349.450 1.833 20 0 EDADMP CN(C)c1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)ccn1 ZINC001033659528 708471452 /nfs/dbraw/zinc/47/14/52/708471452.db2.gz YKVGSGWTAHESTA-KRWDZBQOSA-N 2 1 345.491 1.276 20 0 EDADMP CN(C)c1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)ccn1 ZINC001033659528 708471454 /nfs/dbraw/zinc/47/14/54/708471454.db2.gz YKVGSGWTAHESTA-KRWDZBQOSA-N 2 1 345.491 1.276 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC001033681064 708492383 /nfs/dbraw/zinc/49/23/83/708492383.db2.gz RFQAFNIZUAQNHA-OALUTQOASA-N 2 1 345.487 1.748 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC001033681064 708492386 /nfs/dbraw/zinc/49/23/86/708492386.db2.gz RFQAFNIZUAQNHA-OALUTQOASA-N 2 1 345.487 1.748 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC001033681064 708492389 /nfs/dbraw/zinc/49/23/89/708492389.db2.gz RFQAFNIZUAQNHA-OALUTQOASA-N 2 1 345.487 1.748 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC001033681064 708492393 /nfs/dbraw/zinc/49/23/93/708492393.db2.gz RFQAFNIZUAQNHA-OALUTQOASA-N 2 1 345.487 1.748 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033686720 708501611 /nfs/dbraw/zinc/50/16/11/708501611.db2.gz SLIIDHFQFKLIRL-DLBZAZTESA-N 2 1 333.480 1.327 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033686720 708501612 /nfs/dbraw/zinc/50/16/12/708501612.db2.gz SLIIDHFQFKLIRL-DLBZAZTESA-N 2 1 333.480 1.327 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033686720 708501614 /nfs/dbraw/zinc/50/16/14/708501614.db2.gz SLIIDHFQFKLIRL-DLBZAZTESA-N 2 1 333.480 1.327 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033686720 708501616 /nfs/dbraw/zinc/50/16/16/708501616.db2.gz SLIIDHFQFKLIRL-DLBZAZTESA-N 2 1 333.480 1.327 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](CCC[C@H]3CCOC3)CC2)C1 ZINC001002128812 708645705 /nfs/dbraw/zinc/64/57/05/708645705.db2.gz ZQFFZIUYVJJVFW-ROUUACIJSA-N 2 1 337.508 1.583 20 0 EDADMP Cn1nc2c(c1C[NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000921859918 708697703 /nfs/dbraw/zinc/69/77/03/708697703.db2.gz OXYOEPXKKOGTSX-PKOBYXMFSA-N 2 1 332.492 1.766 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](C[C@@H]3CCCCO3)CC2)CC[N@H+]1C ZINC001005408288 708915964 /nfs/dbraw/zinc/91/59/64/708915964.db2.gz WNKDMBVTUFTIIJ-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+]([C@@H](C)COC)CC2)CC[N@H+]1C ZINC001005416646 708947668 /nfs/dbraw/zinc/94/76/68/708947668.db2.gz WRCNFBYTKVFELF-BHYGNILZSA-N 2 1 325.497 1.674 20 0 EDADMP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001033896590 709014254 /nfs/dbraw/zinc/01/42/54/709014254.db2.gz INITWESGDHGKSY-GOEBONIOSA-N 2 1 343.431 1.185 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOc2ccccc2F)CC1 ZINC001002477194 709014439 /nfs/dbraw/zinc/01/44/39/709014439.db2.gz XVPGMQOSFRMXIC-KRWDZBQOSA-N 2 1 349.450 1.879 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+]([C@H]3CCc4ccccc43)CC2)C1 ZINC001002532010 709089132 /nfs/dbraw/zinc/08/91/32/709089132.db2.gz FHWUSKDSIZJZDD-OALUTQOASA-N 2 1 343.471 1.585 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+]([C@H]3CCc4ccccc43)CC2)C1 ZINC001002532010 709089134 /nfs/dbraw/zinc/08/91/34/709089134.db2.gz FHWUSKDSIZJZDD-OALUTQOASA-N 2 1 343.471 1.585 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001033940263 709145753 /nfs/dbraw/zinc/14/57/53/709145753.db2.gz GOBGBHYHUNNANC-KRWDZBQOSA-N 2 1 345.491 1.550 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001033940263 709145755 /nfs/dbraw/zinc/14/57/55/709145755.db2.gz GOBGBHYHUNNANC-KRWDZBQOSA-N 2 1 345.491 1.550 20 0 EDADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033988368 709218894 /nfs/dbraw/zinc/21/88/94/709218894.db2.gz DEVWFBLJEIENBD-QGZVFWFLSA-N 2 1 346.475 1.031 20 0 EDADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033988368 709218895 /nfs/dbraw/zinc/21/88/95/709218895.db2.gz DEVWFBLJEIENBD-QGZVFWFLSA-N 2 1 346.475 1.031 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC001034013915 709228472 /nfs/dbraw/zinc/22/84/72/709228472.db2.gz RTDSMSCLUZNERO-OAHLLOKOSA-N 2 1 348.516 1.970 20 0 EDADMP COc1cncc(CN2CCCC[C@H](NC(=O)[C@H]3CCCN3C)C2)n1 ZINC001034130253 709399301 /nfs/dbraw/zinc/39/93/01/709399301.db2.gz HFNWUYUIUGGUHW-GOEBONIOSA-N 2 1 347.463 1.050 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001002834877 709450579 /nfs/dbraw/zinc/45/05/79/709450579.db2.gz UFZKUIZBFXKHGM-KRWDZBQOSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)ncn1 ZINC001002834969 709450760 /nfs/dbraw/zinc/45/07/60/709450760.db2.gz VFLZRDKKVSNBPY-GOSISDBHSA-N 2 1 343.475 1.207 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCC[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001002861192 709464831 /nfs/dbraw/zinc/46/48/31/709464831.db2.gz VNKVDHTZXBONOG-SOLBZPMBSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cncn2C)C1 ZINC001034205808 709529464 /nfs/dbraw/zinc/52/94/64/709529464.db2.gz YVEJOYYJBZGGEZ-SJLPKXTDSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cncn2C)C1 ZINC001034205808 709529468 /nfs/dbraw/zinc/52/94/68/709529468.db2.gz YVEJOYYJBZGGEZ-SJLPKXTDSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cncn2C)C1 ZINC001034205808 709529472 /nfs/dbraw/zinc/52/94/72/709529472.db2.gz YVEJOYYJBZGGEZ-SJLPKXTDSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cncn2C)C1 ZINC001034205808 709529476 /nfs/dbraw/zinc/52/94/76/709529476.db2.gz YVEJOYYJBZGGEZ-SJLPKXTDSA-N 2 1 347.507 1.764 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cncn2C)C1 ZINC001034238150 709618234 /nfs/dbraw/zinc/61/82/34/709618234.db2.gz AOMDNSWPCXULHH-AEFFLSMTSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cncn2C)C1 ZINC001034238150 709618237 /nfs/dbraw/zinc/61/82/37/709618237.db2.gz AOMDNSWPCXULHH-AEFFLSMTSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cncn2C)C1 ZINC001034238150 709618239 /nfs/dbraw/zinc/61/82/39/709618239.db2.gz AOMDNSWPCXULHH-AEFFLSMTSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cncn2C)C1 ZINC001034238150 709618242 /nfs/dbraw/zinc/61/82/42/709618242.db2.gz AOMDNSWPCXULHH-AEFFLSMTSA-N 2 1 347.507 1.765 20 0 EDADMP Cn1nccc1C[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034291307 709716360 /nfs/dbraw/zinc/71/63/60/709716360.db2.gz SZKJCRYKUXWOLX-INIZCTEOSA-N 2 1 345.491 1.519 20 0 EDADMP Cn1nccc1C[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034291307 709716364 /nfs/dbraw/zinc/71/63/64/709716364.db2.gz SZKJCRYKUXWOLX-INIZCTEOSA-N 2 1 345.491 1.519 20 0 EDADMP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@H]1CCCc2[nH+]ccn21 ZINC001003000723 709759791 /nfs/dbraw/zinc/75/97/91/709759791.db2.gz DKHPSCQCDWTSIA-MRXNPFEDSA-N 2 1 342.447 1.238 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319593 709769552 /nfs/dbraw/zinc/76/95/52/709769552.db2.gz IWJUPEBFLWNPSH-ISXWCOSWSA-N 2 1 335.492 1.476 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034319593 709769555 /nfs/dbraw/zinc/76/95/55/709769555.db2.gz IWJUPEBFLWNPSH-ISXWCOSWSA-N 2 1 335.492 1.476 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034319593 709769558 /nfs/dbraw/zinc/76/95/58/709769558.db2.gz IWJUPEBFLWNPSH-ISXWCOSWSA-N 2 1 335.492 1.476 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cncn3C)CC2)C1 ZINC001003006556 709775034 /nfs/dbraw/zinc/77/50/34/709775034.db2.gz CIHNWLYRQLJWBB-INIZCTEOSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cncn3C)CC2)C1 ZINC001003006556 709775039 /nfs/dbraw/zinc/77/50/39/709775039.db2.gz CIHNWLYRQLJWBB-INIZCTEOSA-N 2 1 347.507 1.479 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003011179 709782972 /nfs/dbraw/zinc/78/29/72/709782972.db2.gz NBBBVTNKBKBKGN-DOTOQJQBSA-N 2 1 325.497 1.865 20 0 EDADMP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364406 709883732 /nfs/dbraw/zinc/88/37/32/709883732.db2.gz UFIJACPFXNHDNW-SJORKVTESA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364406 709883735 /nfs/dbraw/zinc/88/37/35/709883735.db2.gz UFIJACPFXNHDNW-SJORKVTESA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034364406 709883742 /nfs/dbraw/zinc/88/37/42/709883742.db2.gz UFIJACPFXNHDNW-SJORKVTESA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034364406 709883748 /nfs/dbraw/zinc/88/37/48/709883748.db2.gz UFIJACPFXNHDNW-SJORKVTESA-N 2 1 325.497 1.722 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034393874 709928321 /nfs/dbraw/zinc/92/83/21/709928321.db2.gz GYJBUJWKCZTLBY-GOEBONIOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001034393874 709928325 /nfs/dbraw/zinc/92/83/25/709928325.db2.gz GYJBUJWKCZTLBY-GOEBONIOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034393874 709928328 /nfs/dbraw/zinc/92/83/28/709928328.db2.gz GYJBUJWKCZTLBY-GOEBONIOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034393874 709928329 /nfs/dbraw/zinc/92/83/29/709928329.db2.gz GYJBUJWKCZTLBY-GOEBONIOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1oncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034395243 709932508 /nfs/dbraw/zinc/93/25/08/709932508.db2.gz WKUSDKCXLAULJI-WMLDXEAASA-N 2 1 334.464 1.796 20 0 EDADMP Cc1oncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001034395243 709932510 /nfs/dbraw/zinc/93/25/10/709932510.db2.gz WKUSDKCXLAULJI-WMLDXEAASA-N 2 1 334.464 1.796 20 0 EDADMP Cc1oncc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034395243 709932514 /nfs/dbraw/zinc/93/25/14/709932514.db2.gz WKUSDKCXLAULJI-WMLDXEAASA-N 2 1 334.464 1.796 20 0 EDADMP Cc1oncc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034395243 709932516 /nfs/dbraw/zinc/93/25/16/709932516.db2.gz WKUSDKCXLAULJI-WMLDXEAASA-N 2 1 334.464 1.796 20 0 EDADMP Cc1oncc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034397175 709936781 /nfs/dbraw/zinc/93/67/81/709936781.db2.gz JDQDHHVFLKCYSK-YOEHRIQHSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1oncc1C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034397175 709936783 /nfs/dbraw/zinc/93/67/83/709936783.db2.gz JDQDHHVFLKCYSK-YOEHRIQHSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1oncc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034397175 709936785 /nfs/dbraw/zinc/93/67/85/709936785.db2.gz JDQDHHVFLKCYSK-YOEHRIQHSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1oncc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034397175 709936788 /nfs/dbraw/zinc/93/67/88/709936788.db2.gz JDQDHHVFLKCYSK-YOEHRIQHSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCCC3CCC3)CC2)O1 ZINC001003136792 710023876 /nfs/dbraw/zinc/02/38/76/710023876.db2.gz FOPFYEXPLNABCR-CRAIPNDOSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCCC3CCC3)CC2)O1 ZINC001003136792 710023877 /nfs/dbraw/zinc/02/38/77/710023877.db2.gz FOPFYEXPLNABCR-CRAIPNDOSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1ccncc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001003136963 710029398 /nfs/dbraw/zinc/02/93/98/710029398.db2.gz GXWLDWUHPUZPJA-CRAIPNDOSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1ccncc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001003136963 710029402 /nfs/dbraw/zinc/02/94/02/710029402.db2.gz GXWLDWUHPUZPJA-CRAIPNDOSA-N 2 1 346.475 1.190 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](CCC2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC001034489757 710108006 /nfs/dbraw/zinc/10/80/06/710108006.db2.gz CYRWHVVKXSRFGV-SFHVURJKSA-N 2 1 349.519 1.870 20 0 EDADMP Cn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034490092 710108696 /nfs/dbraw/zinc/10/86/96/710108696.db2.gz JBZKQQLPNFFROB-HOTGVXAUSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1ccc(C[N@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034490092 710108699 /nfs/dbraw/zinc/10/86/99/710108699.db2.gz JBZKQQLPNFFROB-HOTGVXAUSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1ccc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001034490092 710108702 /nfs/dbraw/zinc/10/87/02/710108702.db2.gz JBZKQQLPNFFROB-HOTGVXAUSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1ccc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034490092 710108706 /nfs/dbraw/zinc/10/87/06/710108706.db2.gz JBZKQQLPNFFROB-HOTGVXAUSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1oncc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034490777 710109782 /nfs/dbraw/zinc/10/97/82/710109782.db2.gz NALBAWSRJNPIBQ-DOTOQJQBSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1oncc1C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490777 710109785 /nfs/dbraw/zinc/10/97/85/710109785.db2.gz NALBAWSRJNPIBQ-DOTOQJQBSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1oncc1C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490777 710109788 /nfs/dbraw/zinc/10/97/88/710109788.db2.gz NALBAWSRJNPIBQ-DOTOQJQBSA-N 2 1 334.464 1.796 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](CC2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC001034490739 710110054 /nfs/dbraw/zinc/11/00/54/710110054.db2.gz LZJMMQUWKICUGW-KRWDZBQOSA-N 2 1 335.492 1.480 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034490823 710110189 /nfs/dbraw/zinc/11/01/89/710110189.db2.gz NZGXAKXOBMRFFV-HZPDHXFCSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034490823 710110190 /nfs/dbraw/zinc/11/01/90/710110190.db2.gz NZGXAKXOBMRFFV-HZPDHXFCSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034490823 710110191 /nfs/dbraw/zinc/11/01/91/710110191.db2.gz NZGXAKXOBMRFFV-HZPDHXFCSA-N 2 1 334.464 1.796 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001032836444 710117329 /nfs/dbraw/zinc/11/73/29/710117329.db2.gz JCFOPSSRZBVNDH-CEXWTWQISA-N 2 1 343.471 1.252 20 0 EDADMP CCn1cc(CC[NH+]2CCC(NC(=O)Cn3c[nH+]cc3C)CC2)cn1 ZINC001003319816 710248367 /nfs/dbraw/zinc/24/83/67/710248367.db2.gz YHOQEKRRIUAYJY-UHFFFAOYSA-N 2 1 344.463 1.231 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ncccn1 ZINC001034607878 710264465 /nfs/dbraw/zinc/26/44/65/710264465.db2.gz UTSQPDBUKHUDCI-FPCVCCKLSA-N 2 1 331.464 1.649 20 0 EDADMP CC[C@@H](C(=O)N1CCC(C)([NH+]2CCC2)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000922171671 710337367 /nfs/dbraw/zinc/33/73/67/710337367.db2.gz NNJBPWKAKJOAJE-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP CC[C@@H](C(=O)N1CCC(C)([NH+]2CCC2)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000922171671 710337370 /nfs/dbraw/zinc/33/73/70/710337370.db2.gz NNJBPWKAKJOAJE-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP CCn1nncc1C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003423284 710338697 /nfs/dbraw/zinc/33/86/97/710338697.db2.gz DMKCNTPOMJAMKD-UHFFFAOYSA-N 2 1 348.495 1.253 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032842943 710402266 /nfs/dbraw/zinc/40/22/66/710402266.db2.gz CCGTVVHOGKDQTC-CGTJXYLNSA-N 2 1 331.460 1.252 20 0 EDADMP COC[C@H](C)[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001003628662 710458513 /nfs/dbraw/zinc/45/85/13/710458513.db2.gz SNWIOTMJFUJEQE-KBXCAEBGSA-N 2 1 343.487 1.814 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC001003631195 710460299 /nfs/dbraw/zinc/46/02/99/710460299.db2.gz UCLMBSFEDHTGQN-JKSUJKDBSA-N 2 1 346.475 1.371 20 0 EDADMP Cc1csc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001003636880 710461541 /nfs/dbraw/zinc/46/15/41/710461541.db2.gz YEZDFIRDBNFCMO-DOMZBBRYSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1csc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001003636880 710461542 /nfs/dbraw/zinc/46/15/42/710461542.db2.gz YEZDFIRDBNFCMO-DOMZBBRYSA-N 2 1 336.505 1.730 20 0 EDADMP Cn1cc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)cn1 ZINC001003776441 710545642 /nfs/dbraw/zinc/54/56/42/710545642.db2.gz RDIVSLQLEZAQNI-ZWKOTPCHSA-N 2 1 345.491 1.518 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034673464 710611407 /nfs/dbraw/zinc/61/14/07/710611407.db2.gz BDHIWKRKTFCQHN-BRWVUGGUSA-N 2 1 347.507 1.904 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001034673921 710613744 /nfs/dbraw/zinc/61/37/44/710613744.db2.gz HCPJXRRGGKINFM-BZUAXINKSA-N 2 1 334.464 1.984 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ncccn2)CC1 ZINC001034690952 710763534 /nfs/dbraw/zinc/76/35/34/710763534.db2.gz DZANNXFUJHWXCL-JYJNAYRXSA-N 2 1 342.447 1.760 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)CC2)n1 ZINC001034692930 710782788 /nfs/dbraw/zinc/78/27/88/710782788.db2.gz PXAXDEOSZWSZKI-SHTZXODSSA-N 2 1 345.451 1.020 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001034733355 710913937 /nfs/dbraw/zinc/91/39/37/710913937.db2.gz APRVGVVBLINIGW-BPLDGKMQSA-N 2 1 335.452 1.237 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001034733355 710913940 /nfs/dbraw/zinc/91/39/40/710913940.db2.gz APRVGVVBLINIGW-BPLDGKMQSA-N 2 1 335.452 1.237 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)ncn1 ZINC001034734881 710917841 /nfs/dbraw/zinc/91/78/41/710917841.db2.gz BECVJINWIUSWEN-ULQDDVLXSA-N 2 1 345.491 1.786 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001034735858 710921896 /nfs/dbraw/zinc/92/18/96/710921896.db2.gz OBTDIEMJJMFXLU-KBRIMQKVSA-N 2 1 334.464 1.984 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cc1F ZINC001032945188 710924356 /nfs/dbraw/zinc/92/43/56/710924356.db2.gz OIONYEJRERRDTQ-NVXWUHKLSA-N 2 1 349.450 1.961 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cc1F ZINC001032945188 710924359 /nfs/dbraw/zinc/92/43/59/710924359.db2.gz OIONYEJRERRDTQ-NVXWUHKLSA-N 2 1 349.450 1.961 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1F ZINC001032945188 710924361 /nfs/dbraw/zinc/92/43/61/710924361.db2.gz OIONYEJRERRDTQ-NVXWUHKLSA-N 2 1 349.450 1.961 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cc1F ZINC001032945188 710924364 /nfs/dbraw/zinc/92/43/64/710924364.db2.gz OIONYEJRERRDTQ-NVXWUHKLSA-N 2 1 349.450 1.961 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034737216 710949048 /nfs/dbraw/zinc/94/90/48/710949048.db2.gz HOYQJUMYYAHCPE-KLHDSHLOSA-N 2 1 348.495 1.013 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)nn1 ZINC001034737515 710950120 /nfs/dbraw/zinc/95/01/20/710950120.db2.gz KYZMORDOJOVDJY-ANQUJSFKSA-N 2 1 348.495 1.013 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034778543 711081639 /nfs/dbraw/zinc/08/16/39/711081639.db2.gz JTTYIJWILUMLAL-KKUMJFAQSA-N 2 1 335.452 1.237 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034778543 711081644 /nfs/dbraw/zinc/08/16/44/711081644.db2.gz JTTYIJWILUMLAL-KKUMJFAQSA-N 2 1 335.452 1.237 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001005712340 711097059 /nfs/dbraw/zinc/09/70/59/711097059.db2.gz COMGEFVDGGXACD-MRXNPFEDSA-N 2 1 334.464 1.541 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)[nH]1 ZINC001034795983 711115692 /nfs/dbraw/zinc/11/56/92/711115692.db2.gz APEZFRYTZLFBJE-UCNSEENLSA-N 2 1 348.495 1.503 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)n1 ZINC001034796256 711116554 /nfs/dbraw/zinc/11/65/54/711116554.db2.gz GTMRZOIWPDIITK-RRCSTGOVSA-N 2 1 349.479 1.768 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001003969763 711118197 /nfs/dbraw/zinc/11/81/97/711118197.db2.gz BLKNFNXPJDZKRF-HNNXBMFYSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001003969763 711118202 /nfs/dbraw/zinc/11/82/02/711118202.db2.gz BLKNFNXPJDZKRF-HNNXBMFYSA-N 2 1 331.464 1.207 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nnc(C4CC4)o3)CC2)C1 ZINC001034792485 711119343 /nfs/dbraw/zinc/11/93/43/711119343.db2.gz KCNKJNYXTUUAFQ-KKUMJFAQSA-N 2 1 347.463 1.416 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nnc(C4CC4)o3)CC2)C1 ZINC001034792485 711119348 /nfs/dbraw/zinc/11/93/48/711119348.db2.gz KCNKJNYXTUUAFQ-KKUMJFAQSA-N 2 1 347.463 1.416 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](CCOC2CCC2)CC1 ZINC001005719651 711143358 /nfs/dbraw/zinc/14/33/58/711143358.db2.gz TZQOAKHYYUPLFH-UHFFFAOYSA-N 2 1 334.464 1.683 20 0 EDADMP Cc1ncoc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001034810689 711171596 /nfs/dbraw/zinc/17/15/96/711171596.db2.gz HWUQFVUWVRXCGX-QGZVFWFLSA-N 2 1 342.443 1.983 20 0 EDADMP Cc1ncoc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001034810689 711171598 /nfs/dbraw/zinc/17/15/98/711171598.db2.gz HWUQFVUWVRXCGX-QGZVFWFLSA-N 2 1 342.443 1.983 20 0 EDADMP CCCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740724 711274840 /nfs/dbraw/zinc/27/48/40/711274840.db2.gz HMBMBZVZSUQJQH-URSIVYNOSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001034959320 711433924 /nfs/dbraw/zinc/43/39/24/711433924.db2.gz XBFKFGXTOCYMHW-SJORKVTESA-N 2 1 333.480 1.194 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cnn(C)c2)CC[N@H+]1C ZINC001034941843 711447083 /nfs/dbraw/zinc/44/70/83/711447083.db2.gz ZBQXLOXDGXEHJB-IXDOHACOSA-N 2 1 333.480 1.231 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001004150011 711564615 /nfs/dbraw/zinc/56/46/15/711564615.db2.gz QOBIWIWPLNCMSY-MRXNPFEDSA-N 2 1 331.460 1.598 20 0 EDADMP Cc1ccc(OCC[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001004151364 711568989 /nfs/dbraw/zinc/56/89/89/711568989.db2.gz XSPZGKMPEHOUNF-KRWDZBQOSA-N 2 1 345.487 1.906 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC001004161611 711588448 /nfs/dbraw/zinc/58/84/48/711588448.db2.gz UDEITLMWWGNIPZ-QAPCUYQASA-N 2 1 332.448 1.199 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cnccc3C)CC2)C1 ZINC001004186506 711638647 /nfs/dbraw/zinc/63/86/47/711638647.db2.gz VKFSDIZBNVAWAO-GOSISDBHSA-N 2 1 346.475 1.191 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cnccc3C)CC2)C1 ZINC001004186506 711638649 /nfs/dbraw/zinc/63/86/49/711638649.db2.gz VKFSDIZBNVAWAO-GOSISDBHSA-N 2 1 346.475 1.191 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033125923 711867946 /nfs/dbraw/zinc/86/79/46/711867946.db2.gz JDLJNVIHYYKLDP-DLBZAZTESA-N 2 1 333.480 1.327 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033125923 711867948 /nfs/dbraw/zinc/86/79/48/711867948.db2.gz JDLJNVIHYYKLDP-DLBZAZTESA-N 2 1 333.480 1.327 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033125923 711867949 /nfs/dbraw/zinc/86/79/49/711867949.db2.gz JDLJNVIHYYKLDP-DLBZAZTESA-N 2 1 333.480 1.327 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033125923 711867951 /nfs/dbraw/zinc/86/79/51/711867951.db2.gz JDLJNVIHYYKLDP-DLBZAZTESA-N 2 1 333.480 1.327 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001033127908 711878699 /nfs/dbraw/zinc/87/86/99/711878699.db2.gz YHHISPSCHDLTSC-HZPDHXFCSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001033127908 711878702 /nfs/dbraw/zinc/87/87/02/711878702.db2.gz YHHISPSCHDLTSC-HZPDHXFCSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001033127908 711878703 /nfs/dbraw/zinc/87/87/03/711878703.db2.gz YHHISPSCHDLTSC-HZPDHXFCSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001033127908 711878706 /nfs/dbraw/zinc/87/87/06/711878706.db2.gz YHHISPSCHDLTSC-HZPDHXFCSA-N 2 1 334.464 1.890 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccnn3C)C2)C1 ZINC001033143584 711952797 /nfs/dbraw/zinc/95/27/97/711952797.db2.gz IOSKBRGKVZLFSH-IAGOWNOFSA-N 2 1 347.507 1.431 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccnn3C)C2)C1 ZINC001033143584 711952800 /nfs/dbraw/zinc/95/28/00/711952800.db2.gz IOSKBRGKVZLFSH-IAGOWNOFSA-N 2 1 347.507 1.431 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccnn3C)C2)C1 ZINC001033143584 711952802 /nfs/dbraw/zinc/95/28/02/711952802.db2.gz IOSKBRGKVZLFSH-IAGOWNOFSA-N 2 1 347.507 1.431 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccnn3C)C2)C1 ZINC001033143584 711952806 /nfs/dbraw/zinc/95/28/06/711952806.db2.gz IOSKBRGKVZLFSH-IAGOWNOFSA-N 2 1 347.507 1.431 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004596514 712037493 /nfs/dbraw/zinc/03/74/93/712037493.db2.gz MQZDMTJIMOYNPM-SJLPKXTDSA-N 2 1 337.508 1.678 20 0 EDADMP COCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001004596514 712037495 /nfs/dbraw/zinc/03/74/95/712037495.db2.gz MQZDMTJIMOYNPM-SJLPKXTDSA-N 2 1 337.508 1.678 20 0 EDADMP COCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004596514 712037497 /nfs/dbraw/zinc/03/74/97/712037497.db2.gz MQZDMTJIMOYNPM-SJLPKXTDSA-N 2 1 337.508 1.678 20 0 EDADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633040 712042185 /nfs/dbraw/zinc/04/21/85/712042185.db2.gz DELGPZKUROZJEW-FJIDUMEYSA-N 2 1 339.524 1.778 20 0 EDADMP CCNc1nc(N2CC[C@H]([NH+](CC)CC)C2)nc(NC(C)(C)C)[nH+]1 ZINC000557584652 306229988 /nfs/dbraw/zinc/22/99/88/306229988.db2.gz VDLIXDUSJBKXMJ-ZDUSSCGKSA-N 2 1 335.500 1.856 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccn1 ZINC000272261033 282109759 /nfs/dbraw/zinc/10/97/59/282109759.db2.gz APORXECWKMWWAQ-HOCLYGCPSA-N 2 1 332.448 1.188 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cccc(C(N)=O)c3)C2)CC1 ZINC000174893789 529776359 /nfs/dbraw/zinc/77/63/59/529776359.db2.gz WHHPHMOGMBVIGB-SFHVURJKSA-N 2 1 330.476 1.387 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cccc(C(N)=O)c3)C2)CC1 ZINC000174893789 529776360 /nfs/dbraw/zinc/77/63/60/529776360.db2.gz WHHPHMOGMBVIGB-SFHVURJKSA-N 2 1 330.476 1.387 20 0 EDADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@H]1CCOC1 ZINC000178361539 529835269 /nfs/dbraw/zinc/83/52/69/529835269.db2.gz NXUANVJZJPEKLW-LJQANCHMSA-N 2 1 345.487 1.867 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000559463546 306255355 /nfs/dbraw/zinc/25/53/55/306255355.db2.gz WALQUCPWYZZBFV-OAHLLOKOSA-N 2 1 325.478 1.368 20 0 EDADMP C[C@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[C@H]1[NH+](C)C ZINC000433457010 305109562 /nfs/dbraw/zinc/10/95/62/305109562.db2.gz OBTXMONPLAIKHA-ARFHVFGLSA-N 2 1 326.485 1.079 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000561231301 306284950 /nfs/dbraw/zinc/28/49/50/306284950.db2.gz ZWLSTPOSSCKGPQ-PKOBYXMFSA-N 2 1 330.476 1.986 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339068059 539699785 /nfs/dbraw/zinc/69/97/85/539699785.db2.gz JTZHLPRJKLUEAV-OALUTQOASA-N 2 1 344.503 1.694 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339068059 539699789 /nfs/dbraw/zinc/69/97/89/539699789.db2.gz JTZHLPRJKLUEAV-OALUTQOASA-N 3 1 344.503 1.694 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339068059 539699790 /nfs/dbraw/zinc/69/97/90/539699790.db2.gz JTZHLPRJKLUEAV-OALUTQOASA-N 3 1 344.503 1.694 20 0 EDADMP C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000305834723 299160511 /nfs/dbraw/zinc/16/05/11/299160511.db2.gz WFXRQYGWCJODHK-RLFYNMQTSA-N 2 1 340.512 1.251 20 0 EDADMP C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)C1CC[NH+](C)CC1 ZINC000159211744 540006317 /nfs/dbraw/zinc/00/63/17/540006317.db2.gz GZFRLHGHPRYFIN-MRXNPFEDSA-N 2 1 331.508 1.653 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000161624814 540036895 /nfs/dbraw/zinc/03/68/95/540036895.db2.gz MYQVMRGUUZKMJN-NUEKZKHPSA-N 2 1 337.489 1.872 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000161624814 540036897 /nfs/dbraw/zinc/03/68/97/540036897.db2.gz MYQVMRGUUZKMJN-NUEKZKHPSA-N 2 1 337.489 1.872 20 0 EDADMP CC[N@@H+]1CC[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000412852289 304041720 /nfs/dbraw/zinc/04/17/20/304041720.db2.gz WXUILPVOSCLUPV-GOSISDBHSA-N 2 1 330.476 1.015 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000412852289 304041722 /nfs/dbraw/zinc/04/17/22/304041722.db2.gz WXUILPVOSCLUPV-GOSISDBHSA-N 2 1 330.476 1.015 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCc2c[nH]cn2)c1 ZINC000276568897 540062211 /nfs/dbraw/zinc/06/22/11/540062211.db2.gz KCSLRKOVGGEICK-MRXNPFEDSA-N 2 1 341.415 1.431 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCc2c[nH]cn2)c1 ZINC000276568897 540062216 /nfs/dbraw/zinc/06/22/16/540062216.db2.gz KCSLRKOVGGEICK-MRXNPFEDSA-N 2 1 341.415 1.431 20 0 EDADMP NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)CCc2cnc[nH]2)c1 ZINC000276568897 540062220 /nfs/dbraw/zinc/06/22/20/540062220.db2.gz KCSLRKOVGGEICK-MRXNPFEDSA-N 2 1 341.415 1.431 20 0 EDADMP O=C(CCc1c[nH]cn1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000281224207 540075722 /nfs/dbraw/zinc/07/57/22/540075722.db2.gz OMIWVHFJTGBXCD-AEFFLSMTSA-N 2 1 342.443 1.342 20 0 EDADMP O=C(CCc1cnc[nH]1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000281224207 540075724 /nfs/dbraw/zinc/07/57/24/540075724.db2.gz OMIWVHFJTGBXCD-AEFFLSMTSA-N 2 1 342.443 1.342 20 0 EDADMP O=C(CCc1cnc[nH]1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000281224207 540075725 /nfs/dbraw/zinc/07/57/25/540075725.db2.gz OMIWVHFJTGBXCD-AEFFLSMTSA-N 2 1 342.443 1.342 20 0 EDADMP CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357066161 283148605 /nfs/dbraw/zinc/14/86/05/283148605.db2.gz BTCPQVMPPCJENV-ZDUSSCGKSA-N 2 1 339.402 1.475 20 0 EDADMP CCCCOC[C@H](O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000195174434 535315821 /nfs/dbraw/zinc/31/58/21/535315821.db2.gz NBKJFTAXDALQJC-ZIFCJYIRSA-N 2 1 342.524 1.985 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(OCCOC)c3)C2)CC1 ZINC000093132765 138292123 /nfs/dbraw/zinc/29/21/23/138292123.db2.gz UKTGQRFEWFXXSF-IBGZPJMESA-N 2 1 347.503 1.924 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000187722628 236284624 /nfs/dbraw/zinc/28/46/24/236284624.db2.gz FAAWASFELYICCQ-UHFFFAOYSA-N 2 1 332.448 1.239 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C[N@H+]1C1CC1 ZINC000249128270 291137303 /nfs/dbraw/zinc/13/73/03/291137303.db2.gz RKOGLKVAEGZFGK-ZNMIVQPWSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C[NH+]1C1CC1 ZINC000249128270 291137304 /nfs/dbraw/zinc/13/73/04/291137304.db2.gz RKOGLKVAEGZFGK-ZNMIVQPWSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C[NH+]1C1CC1 ZINC000249128270 291137305 /nfs/dbraw/zinc/13/73/05/291137305.db2.gz RKOGLKVAEGZFGK-ZNMIVQPWSA-N 2 1 338.496 1.098 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCO1 ZINC000565352549 306382001 /nfs/dbraw/zinc/38/20/01/306382001.db2.gz CAPOPVHDRPBEOA-ROUUACIJSA-N 2 1 346.475 1.410 20 0 EDADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000565528802 306386010 /nfs/dbraw/zinc/38/60/10/306386010.db2.gz BROCITBZCIZVMW-NCOADZHNSA-N 2 1 346.500 1.121 20 0 EDADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000565528802 306386011 /nfs/dbraw/zinc/38/60/11/306386011.db2.gz BROCITBZCIZVMW-NCOADZHNSA-N 2 1 346.500 1.121 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414703062 304130001 /nfs/dbraw/zinc/13/00/01/304130001.db2.gz LMKZZBSMBUVHLH-ZDUSSCGKSA-N 2 1 330.432 1.076 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000414714977 304131577 /nfs/dbraw/zinc/13/15/77/304131577.db2.gz WWGVHONJAUVSJV-CABCVRRESA-N 2 1 346.475 1.581 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000414740191 304135336 /nfs/dbraw/zinc/13/53/36/304135336.db2.gz JOCXUBHCPXUYIV-HUUCEWRRSA-N 2 1 346.475 1.581 20 0 EDADMP COc1ccc2c(c1)CC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000414744204 304136121 /nfs/dbraw/zinc/13/61/21/304136121.db2.gz JKZXTFFGTNDVIO-OAHLLOKOSA-N 2 1 331.460 1.293 20 0 EDADMP COC(=O)[C@@H](CC1CCCCC1)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414756551 304137606 /nfs/dbraw/zinc/13/76/06/304137606.db2.gz QWGFFXQWAZYGDH-JKSUJKDBSA-N 2 1 339.480 1.285 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773529 304139444 /nfs/dbraw/zinc/13/94/44/304139444.db2.gz DNGHVYKPPNFLJG-CABCVRRESA-N 2 1 327.428 1.604 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1CC[NH2+]C1 ZINC000415092065 304158410 /nfs/dbraw/zinc/15/84/10/304158410.db2.gz RYWRCVQXHBYLBM-ZYSHUDEJSA-N 3 1 344.503 1.472 20 0 EDADMP C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1CC[NH2+]C1 ZINC000415092065 304158412 /nfs/dbraw/zinc/15/84/12/304158412.db2.gz RYWRCVQXHBYLBM-ZYSHUDEJSA-N 2 1 344.503 1.472 20 0 EDADMP C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1CC[NH2+]C1 ZINC000415092065 304158413 /nfs/dbraw/zinc/15/84/13/304158413.db2.gz RYWRCVQXHBYLBM-ZYSHUDEJSA-N 2 1 344.503 1.472 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1CC[NH2+]C1 ZINC000415092061 304158482 /nfs/dbraw/zinc/15/84/82/304158482.db2.gz RYWRCVQXHBYLBM-KFKAGJAMSA-N 3 1 344.503 1.472 20 0 EDADMP C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1CC[NH2+]C1 ZINC000415092061 304158483 /nfs/dbraw/zinc/15/84/83/304158483.db2.gz RYWRCVQXHBYLBM-KFKAGJAMSA-N 2 1 344.503 1.472 20 0 EDADMP C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1CC[NH2+]C1 ZINC000415092061 304158485 /nfs/dbraw/zinc/15/84/85/304158485.db2.gz RYWRCVQXHBYLBM-KFKAGJAMSA-N 2 1 344.503 1.472 20 0 EDADMP CN(c1ccccc1CNC[C@@H]1C[NH2+]CCO1)C1CC[NH+](C)CC1 ZINC000415099401 304159949 /nfs/dbraw/zinc/15/99/49/304159949.db2.gz YELHNVUNESLZJK-SFHVURJKSA-N 2 1 332.492 1.295 20 0 EDADMP C[C@H](Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[NH2+]C1 ZINC000415116776 304161458 /nfs/dbraw/zinc/16/14/58/304161458.db2.gz IERIYWBGZOYXBN-UXLLHSPISA-N 2 1 330.476 1.794 20 0 EDADMP C[NH2+]C1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000237114631 139041095 /nfs/dbraw/zinc/04/10/95/139041095.db2.gz JAKFYRVGIWSWIZ-GOSISDBHSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH2+]C1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000237114631 139041096 /nfs/dbraw/zinc/04/10/96/139041096.db2.gz JAKFYRVGIWSWIZ-GOSISDBHSA-N 2 1 331.460 1.488 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)[NH+](C)C ZINC000237203254 139044057 /nfs/dbraw/zinc/04/40/57/139044057.db2.gz BJGPWJVFURSFAF-QZTJIDSGSA-N 2 1 341.455 1.984 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000237213775 139044673 /nfs/dbraw/zinc/04/46/73/139044673.db2.gz CZQOGXRNFWKRBV-KRWDZBQOSA-N 2 1 344.503 1.554 20 0 EDADMP CSCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000237277417 139046329 /nfs/dbraw/zinc/04/63/29/139046329.db2.gz JKWCTSWXEAYLNX-MRXNPFEDSA-N 2 1 337.489 1.215 20 0 EDADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C1CC[NH2+]CC1)CC2 ZINC000237408911 139050426 /nfs/dbraw/zinc/05/04/26/139050426.db2.gz QUAKIZWBTOSWKE-UHFFFAOYSA-N 2 1 347.459 1.178 20 0 EDADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C1CC[NH2+]CC1)CC2 ZINC000237408911 139050427 /nfs/dbraw/zinc/05/04/27/139050427.db2.gz QUAKIZWBTOSWKE-UHFFFAOYSA-N 2 1 347.459 1.178 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000237649922 139056933 /nfs/dbraw/zinc/05/69/33/139056933.db2.gz OFXCZPQTMIAMGT-OAHLLOKOSA-N 2 1 325.416 1.582 20 0 EDADMP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000237761631 139059787 /nfs/dbraw/zinc/05/97/87/139059787.db2.gz RZLKJQOHPYOWRN-SFHVURJKSA-N 2 1 349.450 1.629 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000081305806 217381079 /nfs/dbraw/zinc/38/10/79/217381079.db2.gz ZAPDOELSCAFARH-MSOLQXFVSA-N 2 1 331.460 1.579 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000081305806 217381080 /nfs/dbraw/zinc/38/10/80/217381080.db2.gz ZAPDOELSCAFARH-MSOLQXFVSA-N 2 1 331.460 1.579 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000238031710 139067086 /nfs/dbraw/zinc/06/70/86/139067086.db2.gz FXHNOPFXZWXBMA-RCCFBDPRSA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000238031710 139067087 /nfs/dbraw/zinc/06/70/87/139067087.db2.gz FXHNOPFXZWXBMA-RCCFBDPRSA-N 2 1 331.460 1.521 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000238055802 139067861 /nfs/dbraw/zinc/06/78/61/139067861.db2.gz AHFHMLWXQHACHF-SJORKVTESA-N 2 1 333.501 1.862 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000245441575 139074839 /nfs/dbraw/zinc/07/48/39/139074839.db2.gz HKZBDLDNEHPWOQ-SJLPKXTDSA-N 2 1 349.475 1.658 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000245441575 139074840 /nfs/dbraw/zinc/07/48/40/139074840.db2.gz HKZBDLDNEHPWOQ-SJLPKXTDSA-N 2 1 349.475 1.658 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000245441575 139074841 /nfs/dbraw/zinc/07/48/41/139074841.db2.gz HKZBDLDNEHPWOQ-SJLPKXTDSA-N 2 1 349.475 1.658 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000245441575 139074842 /nfs/dbraw/zinc/07/48/42/139074842.db2.gz HKZBDLDNEHPWOQ-SJLPKXTDSA-N 2 1 349.475 1.658 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000245493272 139076839 /nfs/dbraw/zinc/07/68/39/139076839.db2.gz LEXRBBFCHIFOAZ-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000245493272 139076840 /nfs/dbraw/zinc/07/68/40/139076840.db2.gz LEXRBBFCHIFOAZ-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000245493272 139076841 /nfs/dbraw/zinc/07/68/41/139076841.db2.gz LEXRBBFCHIFOAZ-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000245493272 139076842 /nfs/dbraw/zinc/07/68/42/139076842.db2.gz LEXRBBFCHIFOAZ-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000567683261 306458936 /nfs/dbraw/zinc/45/89/36/306458936.db2.gz KPDBLULBVSZJTI-HNNXBMFYSA-N 2 1 344.415 1.106 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000415261683 304180653 /nfs/dbraw/zinc/18/06/53/304180653.db2.gz ZLLQWSSAEFRHAJ-AWEZNQCLSA-N 2 1 344.459 1.287 20 0 EDADMP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000246188682 139098345 /nfs/dbraw/zinc/09/83/45/139098345.db2.gz IEDHEHCYHAZBGZ-RTBURBONSA-N 2 1 345.487 1.614 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000568050146 306470560 /nfs/dbraw/zinc/47/05/60/306470560.db2.gz NRHNWQKHSBJLRV-MRXNPFEDSA-N 2 1 325.478 1.221 20 0 EDADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000568056893 306471038 /nfs/dbraw/zinc/47/10/38/306471038.db2.gz FVLUWIBFAINLTD-UHFFFAOYSA-N 2 1 344.459 1.578 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000247203546 139140118 /nfs/dbraw/zinc/14/01/18/139140118.db2.gz LSEPPGVCPMBMCE-RDJZCZTQSA-N 2 1 335.448 1.268 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000247203546 139140119 /nfs/dbraw/zinc/14/01/19/139140119.db2.gz LSEPPGVCPMBMCE-RDJZCZTQSA-N 2 1 335.448 1.268 20 0 EDADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)c2C1 ZINC000415377142 304208293 /nfs/dbraw/zinc/20/82/93/304208293.db2.gz ZXSDVTDMRKRPLH-HIFRSBDPSA-N 2 1 344.459 1.545 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000348376120 284684236 /nfs/dbraw/zinc/68/42/36/284684236.db2.gz JHZWHRKMDIEGSZ-HOTGVXAUSA-N 2 1 346.537 1.416 20 0 EDADMP CC[C@@H]1C[C@@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCO1 ZINC000248548588 139167148 /nfs/dbraw/zinc/16/71/48/139167148.db2.gz JWKYZQQZSFDXOJ-QRXAFDDPSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249347183 139191432 /nfs/dbraw/zinc/19/14/32/139191432.db2.gz OSLWDLRXZZOHPR-CGTJXYLNSA-N 2 1 333.476 1.641 20 0 EDADMP COCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000261539836 139208666 /nfs/dbraw/zinc/20/86/66/139208666.db2.gz BSCRNXXPNDWCFO-KRWDZBQOSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261660604 139215295 /nfs/dbraw/zinc/21/52/95/139215295.db2.gz FQQPZDLQTDVIMG-KSMMKXTCSA-N 2 1 347.459 1.694 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261660604 139215296 /nfs/dbraw/zinc/21/52/96/139215296.db2.gz FQQPZDLQTDVIMG-KSMMKXTCSA-N 2 1 347.459 1.694 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261670807 139216060 /nfs/dbraw/zinc/21/60/60/139216060.db2.gz BUUQEXIKGFMCFQ-WBVHZDCISA-N 2 1 331.460 1.664 20 0 EDADMP COc1ccc(OC)c(C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C2CC2)c1 ZINC000262011327 139243672 /nfs/dbraw/zinc/24/36/72/139243672.db2.gz FLZMCGIPYOPCKC-UHFFFAOYSA-N 2 1 347.459 1.490 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1)[C@H]1CCC[NH2+]1 ZINC000262175834 139257526 /nfs/dbraw/zinc/25/75/26/139257526.db2.gz IGEJZTNPQRNCMF-SJLPKXTDSA-N 2 1 343.471 1.702 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1O ZINC000262222250 139261242 /nfs/dbraw/zinc/26/12/42/139261242.db2.gz MVGJFBONLUPULS-HOTGVXAUSA-N 2 1 347.459 1.481 20 0 EDADMP CC[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000262277315 139265862 /nfs/dbraw/zinc/26/58/62/139265862.db2.gz LFKSVAJWCCKPBT-SKPQLKPYSA-N 2 1 349.519 1.709 20 0 EDADMP [NH3+][C@H]1CCC[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000262279955 139266219 /nfs/dbraw/zinc/26/62/19/139266219.db2.gz KRNTWKCYCFOBOO-WBVHZDCISA-N 2 1 348.466 1.581 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)F ZINC000417086312 251141472 /nfs/dbraw/zinc/14/14/72/251141472.db2.gz FAHKJDRVKUVOHM-LSDHHAIUSA-N 2 1 340.418 1.933 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)NC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000417097679 251143112 /nfs/dbraw/zinc/14/31/12/251143112.db2.gz AWNLVMLEJQENMA-GJZGRUSLSA-N 2 1 348.491 1.832 20 0 EDADMP C[NH2+]CCNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000417097687 251143149 /nfs/dbraw/zinc/14/31/49/251143149.db2.gz AWWCPOJEGOYTIS-HUUCEWRRSA-N 2 1 334.464 1.314 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417173682 251144502 /nfs/dbraw/zinc/14/45/02/251144502.db2.gz IVFBFROTHBUXET-UHFFFAOYSA-N 2 1 348.491 1.836 20 0 EDADMP C[C@H]1[NH2+]CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000417024772 251138274 /nfs/dbraw/zinc/13/82/74/251138274.db2.gz MPIXDIISIMHBOF-HZPDHXFCSA-N 2 1 330.476 1.827 20 0 EDADMP COC[C@]1(CNC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417321956 251160002 /nfs/dbraw/zinc/16/00/02/251160002.db2.gz DRPPQGBUQRJXFC-BFYDXBDKSA-N 2 1 326.485 1.175 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000262380094 139274648 /nfs/dbraw/zinc/27/46/48/139274648.db2.gz NPGVLAODBGXOQG-UHFFFAOYSA-N 2 1 347.444 1.397 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000417696463 251233187 /nfs/dbraw/zinc/23/31/87/251233187.db2.gz GTWDHAMFCDCWPS-PMPSAXMXSA-N 2 1 326.485 1.399 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)[nH+]1 ZINC000417705268 251235925 /nfs/dbraw/zinc/23/59/25/251235925.db2.gz UHVLUZXHKHGEKN-GOEBONIOSA-N 2 1 331.464 1.785 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)C1 ZINC000417667648 251220975 /nfs/dbraw/zinc/22/09/75/251220975.db2.gz HBUXNCOIKUUDSV-HZMVEIRTSA-N 2 1 338.496 1.127 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000417670638 251223445 /nfs/dbraw/zinc/22/34/45/251223445.db2.gz OPHZTEBXJORKKH-HRCADAONSA-N 2 1 326.485 1.127 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)CC2)[nH+]c1 ZINC000417730462 251246652 /nfs/dbraw/zinc/24/66/52/251246652.db2.gz MMVMLDWOCMBAAT-HZPDHXFCSA-N 2 1 345.491 1.985 20 0 EDADMP C[NH2+]CCNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000417733136 251247113 /nfs/dbraw/zinc/24/71/13/251247113.db2.gz IKEKRHPMTBAWPD-UHFFFAOYSA-N 2 1 330.432 1.930 20 0 EDADMP C[NH2+]CCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000417733136 251247117 /nfs/dbraw/zinc/24/71/17/251247117.db2.gz IKEKRHPMTBAWPD-UHFFFAOYSA-N 2 1 330.432 1.930 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000417743757 251252981 /nfs/dbraw/zinc/25/29/81/251252981.db2.gz MFUYANGIJMLYIC-HZPDHXFCSA-N 2 1 348.495 1.019 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)n1C ZINC000417830763 251288355 /nfs/dbraw/zinc/28/83/55/251288355.db2.gz BHVWMIGJEVHKCC-INIZCTEOSA-N 2 1 344.463 1.766 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000417835397 251290720 /nfs/dbraw/zinc/29/07/20/251290720.db2.gz VZNGRJUJLVNDEG-JQHSSLGASA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)C1C[NH2+]C1 ZINC000417886904 251313984 /nfs/dbraw/zinc/31/39/84/251313984.db2.gz HSSRZBGZXLTQBH-HWWDLCQESA-N 2 1 330.476 1.756 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)CCC(F)(F)F ZINC000418080524 251320729 /nfs/dbraw/zinc/32/07/29/251320729.db2.gz RZZOJNHKCRVMFB-CQSZACIVSA-N 2 1 336.402 1.656 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000417854593 251299046 /nfs/dbraw/zinc/29/90/46/251299046.db2.gz UGHISTAFWHMNRK-MRXNPFEDSA-N 2 1 344.463 1.548 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC[N@H+]1CCOC ZINC000418427577 251368310 /nfs/dbraw/zinc/36/83/10/251368310.db2.gz OHKGNAKJBXIPES-CVEARBPZSA-N 2 1 328.501 1.502 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)C1CC1 ZINC000418151500 251345932 /nfs/dbraw/zinc/34/59/32/251345932.db2.gz STIRIPHXUGYQDI-QZTJIDSGSA-N 2 1 330.476 1.934 20 0 EDADMP C[C@@H](CCC[NH3+])NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418709405 251392232 /nfs/dbraw/zinc/39/22/32/251392232.db2.gz RDRLBHJFKALBSS-MAUKXSAKSA-N 2 1 334.464 1.050 20 0 EDADMP CC[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCC[NH2+]1 ZINC000422898210 252015465 /nfs/dbraw/zinc/01/54/65/252015465.db2.gz DQIHFFXTBUFHTA-KYJSFNMBSA-N 2 1 347.459 1.431 20 0 EDADMP O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423065212 252032438 /nfs/dbraw/zinc/03/24/38/252032438.db2.gz BBRXXQWYGNDNQE-GUDVDZBRSA-N 2 1 343.471 1.432 20 0 EDADMP CCOC1CC(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)(N2CCOCC2)C1 ZINC000423074411 252034602 /nfs/dbraw/zinc/03/46/02/252034602.db2.gz LOTPEVKNPZQESM-ZLZJIPBDSA-N 2 1 325.497 1.377 20 0 EDADMP CC[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423348349 252048874 /nfs/dbraw/zinc/04/88/74/252048874.db2.gz TVHBMOWYNCZNSA-BXUZGUMPSA-N 2 1 345.896 1.898 20 0 EDADMP COCC[C@]1(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]C1 ZINC000423773562 252068723 /nfs/dbraw/zinc/06/87/23/252068723.db2.gz JPNQHOYYKCOEEP-XKGZKEIXSA-N 2 1 345.487 1.639 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCOC1C[NH2+]C1 ZINC000423775144 252069152 /nfs/dbraw/zinc/06/91/52/252069152.db2.gz LYTGCHCWFDHHRD-INIZCTEOSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422911776 252020074 /nfs/dbraw/zinc/02/00/74/252020074.db2.gz LLQGTJDIVSKAPV-MSOLQXFVSA-N 3 1 332.492 1.728 20 0 EDADMP CC[C@@H]1CN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000423865476 252095147 /nfs/dbraw/zinc/09/51/47/252095147.db2.gz DFNNEYRMTHAMSY-HDMKZQKVSA-N 2 1 331.460 1.889 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000423792285 252077208 /nfs/dbraw/zinc/07/72/08/252077208.db2.gz VZXHJUDYNFJKPE-JYJNAYRXSA-N 2 1 339.480 1.108 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000424149232 252146157 /nfs/dbraw/zinc/14/61/57/252146157.db2.gz VYTRIKJNIOINKB-QLFBSQMISA-N 2 1 333.480 1.442 20 0 EDADMP O=C(C[C@@H]1C[NH2+]CCO1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424219143 252166956 /nfs/dbraw/zinc/16/69/56/252166956.db2.gz ZPJDWDFDONLTIT-RCCFBDPRSA-N 2 1 329.444 1.098 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@H]1C ZINC000424137935 252137880 /nfs/dbraw/zinc/13/78/80/252137880.db2.gz COLMTKYJBJOWPM-QLFBSQMISA-N 2 1 334.468 1.147 20 0 EDADMP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000424277982 252187215 /nfs/dbraw/zinc/18/72/15/252187215.db2.gz HNCOAJUKZJCKRY-UYJHFMRCSA-N 2 1 332.444 1.685 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000424464069 252237752 /nfs/dbraw/zinc/23/77/52/252237752.db2.gz IMVJPNJMEMGNNA-BBRMVZONSA-N 2 1 330.432 1.087 20 0 EDADMP O=C(NCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000425899722 252313956 /nfs/dbraw/zinc/31/39/56/252313956.db2.gz LZWHQCVAJDEGAW-UHFFFAOYSA-N 2 1 328.416 1.661 20 0 EDADMP O=C(C[N@@H+]1CCC[C@H]1CCO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000426208950 252324689 /nfs/dbraw/zinc/32/46/89/252324689.db2.gz FVLDKYHCUFSIEM-IBGZPJMESA-N 2 1 345.487 1.745 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000347042417 285058714 /nfs/dbraw/zinc/05/87/14/285058714.db2.gz KQZKTZWOQXPQIM-ULQDDVLXSA-N 2 1 340.512 1.374 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000112917949 220420112 /nfs/dbraw/zinc/42/01/12/220420112.db2.gz JDQPCXUOERLKIL-SFHVURJKSA-N 2 1 332.492 1.433 20 0 EDADMP [NH3+][C@H]1CCc2ncc(NC(=O)NCC[NH+]3CCSCC3)cc2C1 ZINC000570305080 306536734 /nfs/dbraw/zinc/53/67/34/306536734.db2.gz ZXCGPRPLPMGBQR-ZDUSSCGKSA-N 2 1 335.477 1.068 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000487277500 255028466 /nfs/dbraw/zinc/02/84/66/255028466.db2.gz GGEWPRXOCWCAGU-RZLSGREXSA-N 2 1 339.480 1.974 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418786466 285246170 /nfs/dbraw/zinc/24/61/70/285246170.db2.gz IZASOMZWIZPUKP-IXDOHACOSA-N 3 1 339.528 1.171 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493979448 255229356 /nfs/dbraw/zinc/22/93/56/255229356.db2.gz ZXFXRVQUXSRQDQ-VIQWUECVSA-N 2 1 345.487 1.911 20 0 EDADMP CC[C@@]1(O)CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000495206584 255272933 /nfs/dbraw/zinc/27/29/33/255272933.db2.gz WKFKOYXKOKLSPU-HXUWFJFHSA-N 2 1 345.487 1.745 20 0 EDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495666168 255312437 /nfs/dbraw/zinc/31/24/37/255312437.db2.gz ADJHQHNDMUOOAF-CQSZACIVSA-N 2 1 341.496 1.678 20 0 EDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496197113 255363200 /nfs/dbraw/zinc/36/32/00/255363200.db2.gz CLIHXIPEINDMLX-IAGOWNOFSA-N 2 1 346.475 1.533 20 0 EDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496228929 255366835 /nfs/dbraw/zinc/36/68/35/255366835.db2.gz PQUVZPIRCBIQEC-MRXNPFEDSA-N 2 1 326.441 1.447 20 0 EDADMP CC(C)(C)OC(=O)NC[C@](C)(O)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000496260596 255372116 /nfs/dbraw/zinc/37/21/16/255372116.db2.gz DAKDPAZDCWGTLY-GUYCJALGSA-N 2 1 338.452 1.865 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccccn1 ZINC000449826751 285280228 /nfs/dbraw/zinc/28/02/28/285280228.db2.gz SJCMNSFOUKNJEL-IRXDYDNUSA-N 2 1 348.491 1.723 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000263991618 139374449 /nfs/dbraw/zinc/37/44/49/139374449.db2.gz VWIKJDFSZFHXDT-UHFFFAOYSA-N 2 1 348.491 1.576 20 0 EDADMP CC[N@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2)C(C)C ZINC000118120127 221122986 /nfs/dbraw/zinc/12/29/86/221122986.db2.gz SMZIYOXROWWUPE-UHFFFAOYSA-N 2 1 332.448 1.417 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2)C(C)C ZINC000118120127 221122988 /nfs/dbraw/zinc/12/29/88/221122988.db2.gz SMZIYOXROWWUPE-UHFFFAOYSA-N 2 1 332.448 1.417 20 0 EDADMP CC[NH+](CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)C(C)C ZINC000118120127 221122989 /nfs/dbraw/zinc/12/29/89/221122989.db2.gz SMZIYOXROWWUPE-UHFFFAOYSA-N 2 1 332.448 1.417 20 0 EDADMP CC[NH+](CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)C(C)C ZINC000118120127 221122992 /nfs/dbraw/zinc/12/29/92/221122992.db2.gz SMZIYOXROWWUPE-UHFFFAOYSA-N 2 1 332.448 1.417 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COCc1cccs1 ZINC000119290579 221286615 /nfs/dbraw/zinc/28/66/15/221286615.db2.gz VHDOBRGGYQAQFV-INIZCTEOSA-N 2 1 341.521 1.195 20 0 EDADMP OCC[C@H]1CCCC[NH+]1CC1(C[N@@H+]2CCCC[C@@H]2CCO)COC1 ZINC000119390835 221310640 /nfs/dbraw/zinc/31/06/40/221310640.db2.gz BEUMWTBYZCHUIB-QZTJIDSGSA-N 2 1 340.508 1.477 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CCSC2)cc[nH+]1 ZINC000328650646 258020539 /nfs/dbraw/zinc/02/05/39/258020539.db2.gz VPLKFQRJJHSYTR-XQQFMLRXSA-N 2 1 325.457 1.555 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000264272606 139392234 /nfs/dbraw/zinc/39/22/34/139392234.db2.gz WWSKVTHPNXSHDT-NVXWUHKLSA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000264272606 139392235 /nfs/dbraw/zinc/39/22/35/139392235.db2.gz WWSKVTHPNXSHDT-NVXWUHKLSA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000264272606 139392236 /nfs/dbraw/zinc/39/22/36/139392236.db2.gz WWSKVTHPNXSHDT-NVXWUHKLSA-N 2 1 344.459 1.417 20 0 EDADMP COc1ccc(NC(=O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000264287794 139393814 /nfs/dbraw/zinc/39/38/14/139393814.db2.gz LQKQUBKWDPGPEY-OAHLLOKOSA-N 2 1 349.475 1.658 20 0 EDADMP COC(=O)[C@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+](C)C1 ZINC000416242718 304300213 /nfs/dbraw/zinc/30/02/13/304300213.db2.gz ADASPESLZWHWSN-SJORKVTESA-N 2 1 347.459 1.243 20 0 EDADMP Cc1nnc([C@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000332153042 141131654 /nfs/dbraw/zinc/13/16/54/141131654.db2.gz NKWREXQTPLHBIJ-KRWDZBQOSA-N 2 1 334.512 1.709 20 0 EDADMP Cc1n[nH]c([C@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000332153042 141131656 /nfs/dbraw/zinc/13/16/56/141131656.db2.gz NKWREXQTPLHBIJ-KRWDZBQOSA-N 2 1 334.512 1.709 20 0 EDADMP Cc1n[nH]c([C@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000332153042 141131657 /nfs/dbraw/zinc/13/16/57/141131657.db2.gz NKWREXQTPLHBIJ-KRWDZBQOSA-N 2 1 334.512 1.709 20 0 EDADMP Cc1nc([C@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC000332153042 141131658 /nfs/dbraw/zinc/13/16/58/141131658.db2.gz NKWREXQTPLHBIJ-KRWDZBQOSA-N 2 1 334.512 1.709 20 0 EDADMP Cc1nc([C@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC000332153042 141131660 /nfs/dbraw/zinc/13/16/60/141131660.db2.gz NKWREXQTPLHBIJ-KRWDZBQOSA-N 2 1 334.512 1.709 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H](c2ccsc2)O1 ZINC000333083052 141260924 /nfs/dbraw/zinc/26/09/24/141260924.db2.gz BBTKNEOMRLRUDN-IIAWOOMASA-N 2 1 337.489 1.707 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H](c2ccsc2)O1 ZINC000333083052 141260925 /nfs/dbraw/zinc/26/09/25/141260925.db2.gz BBTKNEOMRLRUDN-IIAWOOMASA-N 2 1 337.489 1.707 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@H](C)O1 ZINC000333147151 141271973 /nfs/dbraw/zinc/27/19/73/141271973.db2.gz DTZMPCWPFJKFEG-RBSFLKMASA-N 2 1 326.485 1.316 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000333344698 141302964 /nfs/dbraw/zinc/30/29/64/141302964.db2.gz QIGFRKMHJCGWSN-CJNGLKHVSA-N 2 1 330.432 1.869 20 0 EDADMP Cc1cc(=O)n2nc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)sc2n1 ZINC000333610016 141344411 /nfs/dbraw/zinc/34/44/11/141344411.db2.gz RVAUAAYFRRLOJM-GFCCVEGCSA-N 2 1 333.461 1.423 20 0 EDADMP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000333681115 141355931 /nfs/dbraw/zinc/35/59/31/141355931.db2.gz OTZHNYZUIYAWMO-IVSAIRAKSA-N 2 1 348.495 1.267 20 0 EDADMP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000333681115 141355932 /nfs/dbraw/zinc/35/59/32/141355932.db2.gz OTZHNYZUIYAWMO-IVSAIRAKSA-N 2 1 348.495 1.267 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[NH2+]1 ZINC000333772940 141378410 /nfs/dbraw/zinc/37/84/10/141378410.db2.gz CIYBAINUEQOTNO-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000339314759 142011797 /nfs/dbraw/zinc/01/17/97/142011797.db2.gz DGEUTWJWYFNTTO-WMZOPIPTSA-N 2 1 348.491 1.699 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000339314759 142011798 /nfs/dbraw/zinc/01/17/98/142011798.db2.gz DGEUTWJWYFNTTO-WMZOPIPTSA-N 2 1 348.491 1.699 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000339314759 142011799 /nfs/dbraw/zinc/01/17/99/142011799.db2.gz DGEUTWJWYFNTTO-WMZOPIPTSA-N 2 1 348.491 1.699 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000339611399 142093402 /nfs/dbraw/zinc/09/34/02/142093402.db2.gz SRLQXGFVKQWORF-QGZVFWFLSA-N 2 1 348.491 1.252 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000344820904 143015857 /nfs/dbraw/zinc/01/58/57/143015857.db2.gz DFMVOFUEZGRVGC-QGZVFWFLSA-N 2 1 327.513 1.924 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000345714697 143124777 /nfs/dbraw/zinc/12/47/77/143124777.db2.gz BNKBQNMDOCZNRB-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)C[C@@H](C)C1 ZINC000346187541 143176824 /nfs/dbraw/zinc/17/68/24/143176824.db2.gz DXPAPNVJMZAGHQ-DAYGRLMNSA-N 2 1 330.476 1.946 20 0 EDADMP COCC[N@H+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H]1C ZINC000346203989 143178621 /nfs/dbraw/zinc/17/86/21/143178621.db2.gz JWPOIIJQAWXGAJ-HNNXBMFYSA-N 2 1 329.448 1.728 20 0 EDADMP CC[C@@H]1CN(C(=O)CSCC[NH+](CC)CC)CC[N@@H+]1C[C@H](C)O ZINC000346265136 143184967 /nfs/dbraw/zinc/18/49/67/143184967.db2.gz RFFQWHRFMLBISL-JKSUJKDBSA-N 2 1 345.553 1.365 20 0 EDADMP CC[C@@H]1CN(C(=O)CSCC[NH+](CC)CC)CC[N@H+]1C[C@H](C)O ZINC000346265136 143184968 /nfs/dbraw/zinc/18/49/68/143184968.db2.gz RFFQWHRFMLBISL-JKSUJKDBSA-N 2 1 345.553 1.365 20 0 EDADMP CCOc1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000346661420 143228087 /nfs/dbraw/zinc/22/80/87/143228087.db2.gz BADQATVQCAWRDO-NVXWUHKLSA-N 2 1 346.475 1.561 20 0 EDADMP CCc1ncc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000346667884 143228940 /nfs/dbraw/zinc/22/89/40/143228940.db2.gz FIWRRZGGCXLOBN-DZGCQCFKSA-N 2 1 336.505 1.786 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)[N@H+](C)C1 ZINC000346869426 143253771 /nfs/dbraw/zinc/25/37/71/143253771.db2.gz WKBGEPAHOFRQMB-FVQBIDKESA-N 2 1 337.468 1.188 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)[N@@H+](C)C1 ZINC000346869426 143253772 /nfs/dbraw/zinc/25/37/72/143253772.db2.gz WKBGEPAHOFRQMB-FVQBIDKESA-N 2 1 337.468 1.188 20 0 EDADMP CCn1nc(C)c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1C ZINC000347040355 143275225 /nfs/dbraw/zinc/27/52/25/143275225.db2.gz KKCNFDDQQUISTQ-INIZCTEOSA-N 2 1 333.480 1.164 20 0 EDADMP CN(C)c1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347111539 143283883 /nfs/dbraw/zinc/28/38/83/143283883.db2.gz QUPKHPHLHBQKSP-KRWDZBQOSA-N 2 1 330.476 1.396 20 0 EDADMP C[C@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000347147261 143287651 /nfs/dbraw/zinc/28/76/51/143287651.db2.gz MOIVXMUTRSTJEK-HOTGVXAUSA-N 2 1 325.497 1.412 20 0 EDADMP CC(C)[N@H+]1CCc2nc(CN3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)sc2C1 ZINC000347277572 143302937 /nfs/dbraw/zinc/30/29/37/143302937.db2.gz WBMRSLWVZUNUCC-GDZNZVCISA-N 2 1 348.516 1.995 20 0 EDADMP CC(C)N1CCc2nc(CN3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)sc2C1 ZINC000347277572 143302938 /nfs/dbraw/zinc/30/29/38/143302938.db2.gz WBMRSLWVZUNUCC-GDZNZVCISA-N 2 1 348.516 1.995 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)C[NH+](C)[C@@H]2CCSC2)C[C@H](C)O1 ZINC000347426291 143319585 /nfs/dbraw/zinc/31/95/85/143319585.db2.gz KZXSQDXPTHKCLP-OWCLPIDISA-N 2 1 343.537 1.429 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)C[N@H+](C)[C@@H]2CCSC2)C[C@H](C)O1 ZINC000347426291 143319586 /nfs/dbraw/zinc/31/95/86/143319586.db2.gz KZXSQDXPTHKCLP-OWCLPIDISA-N 2 1 343.537 1.429 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)C[N@@H+](C)[C@@H]2CCSC2)C[C@H](C)O1 ZINC000347426291 143319587 /nfs/dbraw/zinc/31/95/87/143319587.db2.gz KZXSQDXPTHKCLP-OWCLPIDISA-N 2 1 343.537 1.429 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)cc1 ZINC000416505672 304326264 /nfs/dbraw/zinc/32/62/64/304326264.db2.gz DXAUELDFMIKGQM-UHFFFAOYSA-N 2 1 339.505 1.901 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000369756465 155163550 /nfs/dbraw/zinc/16/35/50/155163550.db2.gz GEDOQSRDSTYKIE-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP O=C(NC[C@H]1CCc2[nH+]ccn2C1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369812511 155187950 /nfs/dbraw/zinc/18/79/50/155187950.db2.gz ALDUOOVZURFFAA-CABCVRRESA-N 2 1 331.464 1.762 20 0 EDADMP O=C(NC[C@H]1CCc2[nH+]ccn2C1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000369812511 155187955 /nfs/dbraw/zinc/18/79/55/155187955.db2.gz ALDUOOVZURFFAA-CABCVRRESA-N 2 1 331.464 1.762 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)CC[N@H+]1C ZINC000369851096 155202460 /nfs/dbraw/zinc/20/24/60/155202460.db2.gz IOSMZUZDWJZKQI-OWCLPIDISA-N 2 1 343.479 1.413 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000369849109 155202618 /nfs/dbraw/zinc/20/26/18/155202618.db2.gz ZLOIETGBPWWGGW-OAHLLOKOSA-N 2 1 345.447 1.753 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[C@@H]2[NH3+])[C@H](C)C1 ZINC000340114959 286060306 /nfs/dbraw/zinc/06/03/06/286060306.db2.gz VAYPBKPISNMFTM-QZWWFDLISA-N 2 1 325.497 1.757 20 0 EDADMP C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC000416892925 304353640 /nfs/dbraw/zinc/35/36/40/304353640.db2.gz ZWBRDHGXHNWIOM-YOEHRIQHSA-N 2 1 332.448 1.007 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCSCC1)[N@@H+]1CCCC[C@@H]1C ZINC000352657162 149103064 /nfs/dbraw/zinc/10/30/64/149103064.db2.gz SPWLJUKVFIOJLW-LSDHHAIUSA-N 2 1 328.526 1.597 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCSCC1)[N@H+]1CCCC[C@@H]1C ZINC000352657162 149103067 /nfs/dbraw/zinc/10/30/67/149103067.db2.gz SPWLJUKVFIOJLW-LSDHHAIUSA-N 2 1 328.526 1.597 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000352683862 149116587 /nfs/dbraw/zinc/11/65/87/149116587.db2.gz LSVVUPSIUCOIGO-OAHLLOKOSA-N 2 1 326.510 1.305 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000352827103 149184500 /nfs/dbraw/zinc/18/45/00/149184500.db2.gz MAPNQXJRRPJUDL-ULQDDVLXSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000352827103 149184504 /nfs/dbraw/zinc/18/45/04/149184504.db2.gz MAPNQXJRRPJUDL-ULQDDVLXSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000352827103 149184505 /nfs/dbraw/zinc/18/45/05/149184505.db2.gz MAPNQXJRRPJUDL-ULQDDVLXSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)OCCN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000369914040 155231067 /nfs/dbraw/zinc/23/10/67/155231067.db2.gz XILUBZFRESLWNM-IAGOWNOFSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000369914040 155231069 /nfs/dbraw/zinc/23/10/69/155231069.db2.gz XILUBZFRESLWNM-IAGOWNOFSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000369914040 155231074 /nfs/dbraw/zinc/23/10/74/155231074.db2.gz XILUBZFRESLWNM-IAGOWNOFSA-N 2 1 338.496 1.365 20 0 EDADMP Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000363456286 292206177 /nfs/dbraw/zinc/20/61/77/292206177.db2.gz LJZIFOMMIQZSRU-ICSRJNTNSA-N 2 1 331.504 1.988 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000353508451 149432849 /nfs/dbraw/zinc/43/28/49/149432849.db2.gz VKUDBZUAONSYPP-QGZVFWFLSA-N 2 1 346.475 1.064 20 0 EDADMP CC(C)[C@H](CNC(=O)NC(C)(C)CCC[NH3+])N1CC[NH+](C)CC1 ZINC000416965778 304356713 /nfs/dbraw/zinc/35/67/13/304356713.db2.gz XQWOEBMSOTXFTG-HNNXBMFYSA-N 2 1 327.517 1.075 20 0 EDADMP Cn1nnc2cc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)ccc21 ZINC000355212642 150167691 /nfs/dbraw/zinc/16/76/91/150167691.db2.gz OLGGARZMLAXKQA-FHLIZLRMSA-N 2 1 329.448 1.652 20 0 EDADMP Cn1nnc2cc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)ccc21 ZINC000355212642 150167694 /nfs/dbraw/zinc/16/76/94/150167694.db2.gz OLGGARZMLAXKQA-FHLIZLRMSA-N 2 1 329.448 1.652 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000355762357 150390672 /nfs/dbraw/zinc/39/06/72/150390672.db2.gz SKIAUAQNDVBLQG-UHFFFAOYSA-N 2 1 338.452 1.309 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417039372 304364923 /nfs/dbraw/zinc/36/49/23/304364923.db2.gz KJENIQNFWVHRNC-DLBZAZTESA-N 2 1 345.491 1.187 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417045432 304365857 /nfs/dbraw/zinc/36/58/57/304365857.db2.gz RGFBAPKVVLYIHP-IAGOWNOFSA-N 2 1 347.507 1.494 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417045968 304365909 /nfs/dbraw/zinc/36/59/09/304365909.db2.gz RVXHGYQDHDRKHL-IAGOWNOFSA-N 2 1 345.491 1.200 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1C ZINC000357409701 151023616 /nfs/dbraw/zinc/02/36/16/151023616.db2.gz IEHAVOCVIXHVRU-BPQIPLTHSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1C ZINC000357409701 151023617 /nfs/dbraw/zinc/02/36/17/151023617.db2.gz IEHAVOCVIXHVRU-BPQIPLTHSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000357409701 151023618 /nfs/dbraw/zinc/02/36/18/151023618.db2.gz IEHAVOCVIXHVRU-BPQIPLTHSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000357409701 151023619 /nfs/dbraw/zinc/02/36/19/151023619.db2.gz IEHAVOCVIXHVRU-BPQIPLTHSA-N 2 1 331.460 1.486 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(CC)nn3C2)[C@@H](C)C1 ZINC000358139132 151285518 /nfs/dbraw/zinc/28/55/18/151285518.db2.gz WEFZTZBBIDERPE-ULQDDVLXSA-N 2 1 349.523 1.882 20 0 EDADMP O=C(NCCC1=CC[NH2+]CC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000573821375 306636151 /nfs/dbraw/zinc/63/61/51/306636151.db2.gz CJDRKTDYTXDEHH-QGZVFWFLSA-N 2 1 336.480 1.193 20 0 EDADMP CC(C)(CNC(=O)NCC[N@H+]1CCCOCC1)C[NH+]1CCCC1 ZINC000358226888 151311923 /nfs/dbraw/zinc/31/19/23/151311923.db2.gz DDUYTKGOFJECIY-UHFFFAOYSA-N 2 1 326.485 1.130 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1-n1cccn1 ZINC000370115810 155331100 /nfs/dbraw/zinc/33/11/00/155331100.db2.gz ZERXBQDRIOHYRC-MRXNPFEDSA-N 2 1 341.459 1.687 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NCC[N@H+](C)C2CC2)[C@@H](C)C1 ZINC000360855896 152230766 /nfs/dbraw/zinc/23/07/66/152230766.db2.gz FVUYXIJSRUUDLK-DOTOQJQBSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+](C)C2CC2)[C@@H](C)C1 ZINC000360855896 152230767 /nfs/dbraw/zinc/23/07/67/152230767.db2.gz FVUYXIJSRUUDLK-DOTOQJQBSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000361253419 152346897 /nfs/dbraw/zinc/34/68/97/152346897.db2.gz SEKDAPASMWQPSH-HIFRSBDPSA-N 2 1 342.447 1.549 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CC[NH+]2CCCOCC2)C1 ZINC000361379590 152378048 /nfs/dbraw/zinc/37/80/48/152378048.db2.gz VPONUQOSZYEXOD-IBGZPJMESA-N 2 1 332.492 1.558 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@@H]1CCN(CC[N@@H+]2CCCOCC2)C1 ZINC000361379590 152378049 /nfs/dbraw/zinc/37/80/49/152378049.db2.gz VPONUQOSZYEXOD-IBGZPJMESA-N 2 1 332.492 1.558 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@@H]1CCN(CC[N@H+]2CCCOCC2)C1 ZINC000361379590 152378050 /nfs/dbraw/zinc/37/80/50/152378050.db2.gz VPONUQOSZYEXOD-IBGZPJMESA-N 2 1 332.492 1.558 20 0 EDADMP Cc1ccc(OCC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000364206781 153172867 /nfs/dbraw/zinc/17/28/67/153172867.db2.gz LJSPOKNFVNBEKL-MRXNPFEDSA-N 2 1 331.460 1.659 20 0 EDADMP Cc1ccc(OCC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000364206781 153172868 /nfs/dbraw/zinc/17/28/68/153172868.db2.gz LJSPOKNFVNBEKL-MRXNPFEDSA-N 2 1 331.460 1.659 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000417223743 304385557 /nfs/dbraw/zinc/38/55/57/304385557.db2.gz SSIHDICECFGRKD-UKRRQHHQSA-N 2 1 336.505 1.923 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000417223743 304385558 /nfs/dbraw/zinc/38/55/58/304385558.db2.gz SSIHDICECFGRKD-UKRRQHHQSA-N 2 1 336.505 1.923 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417264968 304388644 /nfs/dbraw/zinc/38/86/44/304388644.db2.gz AWYLRXRMZGTVSA-CRAIPNDOSA-N 2 1 348.491 1.690 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417264968 304388645 /nfs/dbraw/zinc/38/86/45/304388645.db2.gz AWYLRXRMZGTVSA-CRAIPNDOSA-N 2 1 348.491 1.690 20 0 EDADMP CC[C@@H](CSC)NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367615575 154200490 /nfs/dbraw/zinc/20/04/90/154200490.db2.gz BGQZXPGELWHSPP-UONOGXRCSA-N 2 1 328.526 1.596 20 0 EDADMP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367773041 154264061 /nfs/dbraw/zinc/26/40/61/154264061.db2.gz SEWSYISYEMEDSE-MSOLQXFVSA-N 2 1 338.540 1.497 20 0 EDADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417305268 304391885 /nfs/dbraw/zinc/39/18/85/304391885.db2.gz ADHVIGGXQIAKCR-CEXWTWQISA-N 2 1 342.487 1.902 20 0 EDADMP Cc1nccc(N2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)CC2)n1 ZINC000367956045 154342390 /nfs/dbraw/zinc/34/23/90/154342390.db2.gz LWJGAAJGGCXIDJ-GOSISDBHSA-N 2 1 349.454 1.646 20 0 EDADMP C[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000417340350 304392644 /nfs/dbraw/zinc/39/26/44/304392644.db2.gz MEJCGGUGZRKAQU-KXBFYZLASA-N 2 1 342.487 1.969 20 0 EDADMP C[C@@H](CNC(=O)NCC(F)(F)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000417345383 304393334 /nfs/dbraw/zinc/39/33/34/304393334.db2.gz UGGQSQQMEFACJA-LBPRGKRZSA-N 2 1 326.391 1.326 20 0 EDADMP C[C@@H](CNC(=O)NCC(F)(F)C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000417345383 304393336 /nfs/dbraw/zinc/39/33/36/304393336.db2.gz UGGQSQQMEFACJA-LBPRGKRZSA-N 2 1 326.391 1.326 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](NC(=O)C3CCC3)C2)CC1 ZINC000369516169 155067053 /nfs/dbraw/zinc/06/70/53/155067053.db2.gz CITINOFFEKSQJY-SFHVURJKSA-N 2 1 336.524 1.393 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000368576078 292335424 /nfs/dbraw/zinc/33/54/24/292335424.db2.gz LJWPZEZRBXDSFR-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP CC1(C)CN(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000371884586 156150092 /nfs/dbraw/zinc/15/00/92/156150092.db2.gz SKWQXMVYWLZKFV-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000372438557 156389513 /nfs/dbraw/zinc/38/95/13/156389513.db2.gz QIVWNDVUZCQKFK-GUDVDZBRSA-N 2 1 343.471 1.630 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000372452249 156397127 /nfs/dbraw/zinc/39/71/27/156397127.db2.gz XPTHZBJFJCAXQQ-GOSISDBHSA-N 2 1 346.475 1.477 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000372455241 156399285 /nfs/dbraw/zinc/39/92/85/156399285.db2.gz NZHBLRWBAUZZPJ-MRXNPFEDSA-N 2 1 345.443 1.716 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000372455241 156399288 /nfs/dbraw/zinc/39/92/88/156399288.db2.gz NZHBLRWBAUZZPJ-MRXNPFEDSA-N 2 1 345.443 1.716 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000246499518 292348991 /nfs/dbraw/zinc/34/89/91/292348991.db2.gz WOHOEZKELCGKBX-SJORKVTESA-N 2 1 338.496 1.365 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000364254699 292351566 /nfs/dbraw/zinc/35/15/66/292351566.db2.gz GLWKEAURXZTYNA-QGZVFWFLSA-N 2 1 342.528 1.717 20 0 EDADMP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000374099935 157142788 /nfs/dbraw/zinc/14/27/88/157142788.db2.gz QCWHAVNYGVDQBF-GOSISDBHSA-N 2 1 330.476 1.990 20 0 EDADMP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000374099935 157142794 /nfs/dbraw/zinc/14/27/94/157142794.db2.gz QCWHAVNYGVDQBF-GOSISDBHSA-N 2 1 330.476 1.990 20 0 EDADMP COCCn1cc(C[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cn1 ZINC000374145297 157163700 /nfs/dbraw/zinc/16/37/00/157163700.db2.gz SUGJKKUYKUFEIO-KRWDZBQOSA-N 2 1 344.463 1.695 20 0 EDADMP [NH3+][C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000374585105 157336602 /nfs/dbraw/zinc/33/66/02/157336602.db2.gz NUPVTVUSXINVKM-HKUYNNGSSA-N 2 1 345.487 1.769 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCN2CCOCC2(C)C)C1 ZINC000377893156 158022870 /nfs/dbraw/zinc/02/28/70/158022870.db2.gz GYMXUQLORPPBTD-QGZVFWFLSA-N 2 1 329.460 1.426 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000378200730 158106707 /nfs/dbraw/zinc/10/67/07/158106707.db2.gz MGJZYAJBWLAPKT-ZWKOTPCHSA-N 2 1 330.476 1.315 20 0 EDADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000378472919 158184307 /nfs/dbraw/zinc/18/43/07/158184307.db2.gz MBBYWDDGYJZUKQ-ARFHVFGLSA-N 2 1 325.497 1.628 20 0 EDADMP CCc1nc(CN2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)no1 ZINC000378476456 158185376 /nfs/dbraw/zinc/18/53/76/158185376.db2.gz WFKRLFOPZZVZKE-HRCADAONSA-N 2 1 333.480 1.813 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000352208394 162050681 /nfs/dbraw/zinc/05/06/81/162050681.db2.gz NDQKZXHWDFLWNI-SJORKVTESA-N 2 1 342.528 1.859 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NCCCOc1ccccc1F ZINC000352504052 162217417 /nfs/dbraw/zinc/21/74/17/162217417.db2.gz MPLVDVWAFAVLEU-HNNXBMFYSA-N 2 1 337.439 1.914 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NCCCOc1ccccc1F ZINC000352504052 162217420 /nfs/dbraw/zinc/21/74/20/162217420.db2.gz MPLVDVWAFAVLEU-HNNXBMFYSA-N 2 1 337.439 1.914 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)nc(C)[nH+]1 ZINC000364438496 162330164 /nfs/dbraw/zinc/33/01/64/162330164.db2.gz BPIZLEQOTBXUDO-QGZVFWFLSA-N 2 1 343.475 1.520 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000168643327 287051763 /nfs/dbraw/zinc/05/17/63/287051763.db2.gz ZIUZEGIVZNXITH-OAHLLOKOSA-N 2 1 325.497 1.772 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000073717212 287263708 /nfs/dbraw/zinc/26/37/08/287263708.db2.gz PGXPOCODVHIHEP-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000111735451 287338285 /nfs/dbraw/zinc/33/82/85/287338285.db2.gz GOQNOQUSILKXEL-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000111735451 287338286 /nfs/dbraw/zinc/33/82/86/287338286.db2.gz GOQNOQUSILKXEL-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP COC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C1CC1 ZINC000120163977 287358736 /nfs/dbraw/zinc/35/87/36/287358736.db2.gz CJTLBOHMICPCPU-INIZCTEOSA-N 2 1 326.485 1.079 20 0 EDADMP CC[C@@H]1[C@H](CO)CC[NH+]1CCOCC[N@@H+]1CC[C@H](CO)[C@@H]1CC ZINC000451263388 287370152 /nfs/dbraw/zinc/37/01/52/287370152.db2.gz YXDSCLGZHMEHFC-FZDBZEDMSA-N 2 1 328.497 1.189 20 0 EDADMP CC[C@@H]1[C@H](CO)CC[N@H+]1CCOCC[NH+]1CC[C@H](CO)[C@@H]1CC ZINC000451263388 287370154 /nfs/dbraw/zinc/37/01/54/287370154.db2.gz YXDSCLGZHMEHFC-FZDBZEDMSA-N 2 1 328.497 1.189 20 0 EDADMP CC[C@@H]1[C@H](CO)CC[N@@H+]1CCOCC[NH+]1CC[C@H](CO)[C@@H]1CC ZINC000451263388 287370155 /nfs/dbraw/zinc/37/01/55/287370155.db2.gz YXDSCLGZHMEHFC-FZDBZEDMSA-N 2 1 328.497 1.189 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000122152446 222026084 /nfs/dbraw/zinc/02/60/84/222026084.db2.gz NSZSODGLRBFNOJ-SFHVURJKSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000123118151 222219514 /nfs/dbraw/zinc/21/95/14/222219514.db2.gz ZTDKNWTVFKNCFD-KFWWJZLASA-N 2 1 336.432 1.570 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccc3c(c2)OCO3)CC[N@H+]1C ZINC000123118151 222219516 /nfs/dbraw/zinc/21/95/16/222219516.db2.gz ZTDKNWTVFKNCFD-KFWWJZLASA-N 2 1 336.432 1.570 20 0 EDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccc3c(c2)OCO3)CC[NH+]1C ZINC000123118151 222219518 /nfs/dbraw/zinc/21/95/18/222219518.db2.gz ZTDKNWTVFKNCFD-KFWWJZLASA-N 2 1 336.432 1.570 20 0 EDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2ccc3c(c2)OCO3)CC[NH+]1C ZINC000123118151 222219519 /nfs/dbraw/zinc/21/95/19/222219519.db2.gz ZTDKNWTVFKNCFD-KFWWJZLASA-N 2 1 336.432 1.570 20 0 EDADMP CN(C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000171667957 227208440 /nfs/dbraw/zinc/20/84/40/227208440.db2.gz ICVRLIDWSYRNPR-IBGZPJMESA-N 2 1 344.503 1.528 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000418401314 304491898 /nfs/dbraw/zinc/49/18/98/304491898.db2.gz HVNWZGQPGVXOSE-LVQVYYBASA-N 2 1 326.485 1.253 20 0 EDADMP CCCC[NH+](C)CCNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654440886 452501503 /nfs/dbraw/zinc/50/15/03/452501503.db2.gz ZNSMMJSNVIRUMS-OAGGEKHMSA-N 2 1 328.501 1.515 20 0 EDADMP CCCC[NH+](C)CCNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654440886 452501511 /nfs/dbraw/zinc/50/15/11/452501511.db2.gz ZNSMMJSNVIRUMS-OAGGEKHMSA-N 2 1 328.501 1.515 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[NH+](C)C ZINC000274320875 268124713 /nfs/dbraw/zinc/12/47/13/268124713.db2.gz APEGAJGVFUJUEO-RBUKOAKNSA-N 2 1 347.503 1.846 20 0 EDADMP CCOC(=O)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274817308 268213472 /nfs/dbraw/zinc/21/34/72/268213472.db2.gz JASQXGGCSIFCGY-HHXXYDBFSA-N 2 1 334.460 1.801 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275709846 268371075 /nfs/dbraw/zinc/37/10/75/268371075.db2.gz UNSXZULUHPNUQD-UHFFFAOYSA-N 2 1 336.480 1.881 20 0 EDADMP C[C@H]1C[C@@H](C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC[N@H+]1C ZINC000279425248 273295800 /nfs/dbraw/zinc/29/58/00/273295800.db2.gz LWPMUPLZMYGRCQ-JSGCOSHPSA-N 2 1 332.448 1.516 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+]1CC=CCC1)c1ccc(F)cc1 ZINC000279774176 273326378 /nfs/dbraw/zinc/32/63/78/273326378.db2.gz BOZDWSBHTJNFDP-QGZVFWFLSA-N 2 1 334.439 1.990 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000158547692 287695896 /nfs/dbraw/zinc/69/58/96/287695896.db2.gz MDGLWAFFXBLMQN-UHFFFAOYSA-N 2 1 326.485 1.272 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)c2csc(C[NH3+])n2)c2ccccc2O1 ZINC000370780796 273799207 /nfs/dbraw/zinc/79/92/07/273799207.db2.gz VQTQCZNEZBEGJM-LLVKDONJSA-N 2 1 332.429 1.571 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000661955228 452718287 /nfs/dbraw/zinc/71/82/87/452718287.db2.gz CUNDTRQXTGWNAU-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000661955228 452718295 /nfs/dbraw/zinc/71/82/95/452718295.db2.gz CUNDTRQXTGWNAU-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[NH2+]CCN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377525194 275966908 /nfs/dbraw/zinc/96/69/08/275966908.db2.gz AORGULUVLMUOCA-INIZCTEOSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000190977033 276084041 /nfs/dbraw/zinc/08/40/41/276084041.db2.gz HJJMPBYMDUNOJW-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000190977033 276084043 /nfs/dbraw/zinc/08/40/43/276084043.db2.gz HJJMPBYMDUNOJW-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000190977033 276084044 /nfs/dbraw/zinc/08/40/44/276084044.db2.gz HJJMPBYMDUNOJW-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000248623168 276206569 /nfs/dbraw/zinc/20/65/69/276206569.db2.gz BMSBJAWUWHWCKI-RTBURBONSA-N 2 1 347.503 1.980 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000248623168 276206570 /nfs/dbraw/zinc/20/65/70/276206570.db2.gz BMSBJAWUWHWCKI-RTBURBONSA-N 2 1 347.503 1.980 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000248623168 276206571 /nfs/dbraw/zinc/20/65/71/276206571.db2.gz BMSBJAWUWHWCKI-RTBURBONSA-N 2 1 347.503 1.980 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000248623168 276206572 /nfs/dbraw/zinc/20/65/72/276206572.db2.gz BMSBJAWUWHWCKI-RTBURBONSA-N 2 1 347.503 1.980 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000359927263 276232106 /nfs/dbraw/zinc/23/21/06/276232106.db2.gz XDPWFDYEAHPJFS-DLBZAZTESA-N 2 1 342.528 1.499 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)CC1 ZINC000187250049 276916728 /nfs/dbraw/zinc/91/67/28/276916728.db2.gz GMHVPVAUNIMZDY-QGZVFWFLSA-N 2 1 337.508 1.820 20 0 EDADMP C[N@H+]1CC=C(CNC(=O)NCC[NH+]2CCc3sccc3C2)CC1 ZINC000272078144 277023313 /nfs/dbraw/zinc/02/33/13/277023313.db2.gz KWQYNEYPNYZIJC-UHFFFAOYSA-N 2 1 334.489 1.667 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)NCC[NH+]2CCc3sccc3C2)CC1 ZINC000272078144 277023314 /nfs/dbraw/zinc/02/33/14/277023314.db2.gz KWQYNEYPNYZIJC-UHFFFAOYSA-N 2 1 334.489 1.667 20 0 EDADMP C[NH+]1CC=C(CNC(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000272078144 277023315 /nfs/dbraw/zinc/02/33/15/277023315.db2.gz KWQYNEYPNYZIJC-UHFFFAOYSA-N 2 1 334.489 1.667 20 0 EDADMP C[NH+]1CC=C(CNC(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000272078144 277023316 /nfs/dbraw/zinc/02/33/16/277023316.db2.gz KWQYNEYPNYZIJC-UHFFFAOYSA-N 2 1 334.489 1.667 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@@]2(F)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000364864301 277105054 /nfs/dbraw/zinc/10/50/54/277105054.db2.gz GNDOTXDJJRESPE-PKOBYXMFSA-N 2 1 348.466 1.183 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@@]2(F)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000364864301 277105055 /nfs/dbraw/zinc/10/50/55/277105055.db2.gz GNDOTXDJJRESPE-PKOBYXMFSA-N 2 1 348.466 1.183 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@@]2(F)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000364864301 277105056 /nfs/dbraw/zinc/10/50/56/277105056.db2.gz GNDOTXDJJRESPE-PKOBYXMFSA-N 2 1 348.466 1.183 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)NCCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000417015554 277105113 /nfs/dbraw/zinc/10/51/13/277105113.db2.gz HCHPHOWFBNEYFI-SFHVURJKSA-N 2 1 347.507 1.403 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)NCCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000417015554 277105114 /nfs/dbraw/zinc/10/51/14/277105114.db2.gz HCHPHOWFBNEYFI-SFHVURJKSA-N 2 1 347.507 1.403 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)NCCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000417015554 277105115 /nfs/dbraw/zinc/10/51/15/277105115.db2.gz HCHPHOWFBNEYFI-SFHVURJKSA-N 2 1 347.507 1.403 20 0 EDADMP CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000346025918 277567638 /nfs/dbraw/zinc/56/76/38/277567638.db2.gz XAIVRCDTZVLVBY-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCC[N@H+]1C ZINC000339608782 278083641 /nfs/dbraw/zinc/08/36/41/278083641.db2.gz QMAVYDOGMRFQEY-HYVNUMGLSA-N 2 1 346.475 1.004 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417021858 278171573 /nfs/dbraw/zinc/17/15/73/278171573.db2.gz NTPKXIIHQMPFDJ-AEFFLSMTSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000417021858 278171575 /nfs/dbraw/zinc/17/15/75/278171575.db2.gz NTPKXIIHQMPFDJ-AEFFLSMTSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000417021858 278171576 /nfs/dbraw/zinc/17/15/76/278171576.db2.gz NTPKXIIHQMPFDJ-AEFFLSMTSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417023943 278182045 /nfs/dbraw/zinc/18/20/45/278182045.db2.gz PSYVLJRVTKDJKQ-SJLPKXTDSA-N 2 1 347.507 1.354 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000417023943 278182048 /nfs/dbraw/zinc/18/20/48/278182048.db2.gz PSYVLJRVTKDJKQ-SJLPKXTDSA-N 2 1 347.507 1.354 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000417023943 278182049 /nfs/dbraw/zinc/18/20/49/278182049.db2.gz PSYVLJRVTKDJKQ-SJLPKXTDSA-N 2 1 347.507 1.354 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000286552823 288033008 /nfs/dbraw/zinc/03/30/08/288033008.db2.gz ROXJYGQVPKZODJ-GJZGRUSLSA-N 2 1 349.479 1.065 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000420129785 279034177 /nfs/dbraw/zinc/03/41/77/279034177.db2.gz QBVSZDHOAPTQET-HOCLYGCPSA-N 2 1 346.475 1.123 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000347864581 279055240 /nfs/dbraw/zinc/05/52/40/279055240.db2.gz PVKCHBXPSFBDRH-RDTXWAMCSA-N 2 1 333.480 1.404 20 0 EDADMP CC[NH+](CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000347864581 279055241 /nfs/dbraw/zinc/05/52/41/279055241.db2.gz PVKCHBXPSFBDRH-RDTXWAMCSA-N 2 1 333.480 1.404 20 0 EDADMP CC[NH+](CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000347864581 279055242 /nfs/dbraw/zinc/05/52/42/279055242.db2.gz PVKCHBXPSFBDRH-RDTXWAMCSA-N 2 1 333.480 1.404 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424151485 279172440 /nfs/dbraw/zinc/17/24/40/279172440.db2.gz HPYIGZKZEWCNKB-GJZGRUSLSA-N 2 1 343.435 1.012 20 0 EDADMP C[C@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000357580167 279225548 /nfs/dbraw/zinc/22/55/48/279225548.db2.gz TZJGSTBPWROJSX-MJGOQNOKSA-N 2 1 347.503 1.716 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000378211403 288115556 /nfs/dbraw/zinc/11/55/56/288115556.db2.gz PUQDIUHDTWWXQR-QAPCUYQASA-N 2 1 327.472 1.907 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000175980973 279264152 /nfs/dbraw/zinc/26/41/52/279264152.db2.gz PGIJRMKURDFMQX-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000361690396 279302366 /nfs/dbraw/zinc/30/23/66/279302366.db2.gz GYFMDPAUYNZWIP-DOTOQJQBSA-N 2 1 347.507 1.389 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)[nH]c(=O)c1 ZINC000271935184 279303038 /nfs/dbraw/zinc/30/30/38/279303038.db2.gz NQHMUSWORWDPNE-MRXNPFEDSA-N 2 1 334.464 1.584 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC)cn1 ZINC000360157540 279303100 /nfs/dbraw/zinc/30/31/00/279303100.db2.gz VEPHRHMPWDMXKD-OAHLLOKOSA-N 2 1 334.464 1.578 20 0 EDADMP C[C@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000356050884 280098624 /nfs/dbraw/zinc/09/86/24/280098624.db2.gz SUGHBCALOFIHNI-LPHOPBHVSA-N 2 1 345.487 1.810 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664212071 452884659 /nfs/dbraw/zinc/88/46/59/452884659.db2.gz GOVKNEFBLIYRSF-JKSUJKDBSA-N 2 1 327.517 1.042 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000664212071 452884671 /nfs/dbraw/zinc/88/46/71/452884671.db2.gz GOVKNEFBLIYRSF-JKSUJKDBSA-N 3 1 327.517 1.042 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000664212071 452884681 /nfs/dbraw/zinc/88/46/81/452884681.db2.gz GOVKNEFBLIYRSF-JKSUJKDBSA-N 3 1 327.517 1.042 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664212071 452884710 /nfs/dbraw/zinc/88/47/10/452884710.db2.gz GOVKNEFBLIYRSF-JKSUJKDBSA-N 3 1 327.517 1.042 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664212071 452884719 /nfs/dbraw/zinc/88/47/19/452884719.db2.gz GOVKNEFBLIYRSF-JKSUJKDBSA-N 3 1 327.517 1.042 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287849948 288338164 /nfs/dbraw/zinc/33/81/64/288338164.db2.gz DQADKGPZENCMJX-BQFCYCMXSA-N 2 1 348.491 1.386 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000287952679 288365169 /nfs/dbraw/zinc/36/51/69/288365169.db2.gz HAAQOBYEDWQHRJ-JQHSSLGASA-N 2 1 348.491 1.119 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000291279401 289030457 /nfs/dbraw/zinc/03/04/57/289030457.db2.gz AFTZJHMJZLAAME-AEFFLSMTSA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000291279401 289030458 /nfs/dbraw/zinc/03/04/58/289030458.db2.gz AFTZJHMJZLAAME-AEFFLSMTSA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000291279401 289030459 /nfs/dbraw/zinc/03/04/59/289030459.db2.gz AFTZJHMJZLAAME-AEFFLSMTSA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000291279401 289030460 /nfs/dbraw/zinc/03/04/60/289030460.db2.gz AFTZJHMJZLAAME-AEFFLSMTSA-N 2 1 333.476 1.732 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000291598255 289119490 /nfs/dbraw/zinc/11/94/90/289119490.db2.gz GVUGTIACXOAWDS-QUCCMNQESA-N 2 1 342.487 1.998 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000291598255 289119493 /nfs/dbraw/zinc/11/94/93/289119493.db2.gz GVUGTIACXOAWDS-QUCCMNQESA-N 2 1 342.487 1.998 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000291598255 289119496 /nfs/dbraw/zinc/11/94/96/289119496.db2.gz GVUGTIACXOAWDS-QUCCMNQESA-N 2 1 342.487 1.998 20 0 EDADMP C[N@@H+](C[C@H](O)CN1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291733005 289164451 /nfs/dbraw/zinc/16/44/51/289164451.db2.gz JRDGQKPGZIQKRY-VQTJNVASSA-N 2 1 332.488 1.759 20 0 EDADMP CN(C[C@H](O)C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291733005 289164452 /nfs/dbraw/zinc/16/44/52/289164452.db2.gz JRDGQKPGZIQKRY-VQTJNVASSA-N 2 1 332.488 1.759 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291733005 289164453 /nfs/dbraw/zinc/16/44/53/289164453.db2.gz JRDGQKPGZIQKRY-VQTJNVASSA-N 2 1 332.488 1.759 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000129692302 289193304 /nfs/dbraw/zinc/19/33/04/289193304.db2.gz ONBIPJPFKNZLTH-AWEZNQCLSA-N 2 1 336.505 1.699 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000129692302 289193305 /nfs/dbraw/zinc/19/33/05/289193305.db2.gz ONBIPJPFKNZLTH-AWEZNQCLSA-N 2 1 336.505 1.699 20 0 EDADMP [NH3+]C1(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)Cc2ccccc2C1 ZINC000370770621 295202375 /nfs/dbraw/zinc/20/23/75/295202375.db2.gz DQMIXTXJAUIBDX-BZSNNMDCSA-N 2 1 325.456 1.425 20 0 EDADMP C[N@H+](CCOc1cc(Cl)ccc1Cl)CC(=O)N1CC[NH2+]CC1 ZINC000430610216 305058852 /nfs/dbraw/zinc/05/88/52/305058852.db2.gz KDRUHPCOHGNBON-UHFFFAOYSA-N 2 1 346.258 1.736 20 0 EDADMP C[N@@H+](CCOc1cc(Cl)ccc1Cl)CC(=O)N1CC[NH2+]CC1 ZINC000430610216 305058853 /nfs/dbraw/zinc/05/88/53/305058853.db2.gz KDRUHPCOHGNBON-UHFFFAOYSA-N 2 1 346.258 1.736 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420371526 304752642 /nfs/dbraw/zinc/75/26/42/304752642.db2.gz XBEKNDTXSUARRM-BZUAXINKSA-N 2 1 325.497 1.676 20 0 EDADMP COC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000293694099 303004491 /nfs/dbraw/zinc/00/44/91/303004491.db2.gz WNBFDIHDRVBBKI-LPHOPBHVSA-N 2 1 345.487 1.876 20 0 EDADMP COC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000293694099 303004493 /nfs/dbraw/zinc/00/44/93/303004493.db2.gz WNBFDIHDRVBBKI-LPHOPBHVSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)C[NH+](C)C ZINC000293967978 303045799 /nfs/dbraw/zinc/04/57/99/303045799.db2.gz WQFHPBAOAYNIJD-AEFFLSMTSA-N 2 1 333.476 1.591 20 0 EDADMP C[C@H](CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C[NH+](C)C ZINC000293967978 303045800 /nfs/dbraw/zinc/04/58/00/303045800.db2.gz WQFHPBAOAYNIJD-AEFFLSMTSA-N 2 1 333.476 1.591 20 0 EDADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000295006979 303162083 /nfs/dbraw/zinc/16/20/83/303162083.db2.gz IOEYQNSUCAXQCQ-PKOBYXMFSA-N 2 1 344.503 1.623 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423401140 304894548 /nfs/dbraw/zinc/89/45/48/304894548.db2.gz GHMMDHOSYDSDQG-MRXNPFEDSA-N 2 1 332.448 1.903 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000428757168 305016766 /nfs/dbraw/zinc/01/67/66/305016766.db2.gz IIFVUYYCSYACSQ-ZBFHGGJFSA-N 2 1 329.435 1.953 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000428757168 305016767 /nfs/dbraw/zinc/01/67/67/305016767.db2.gz IIFVUYYCSYACSQ-ZBFHGGJFSA-N 2 1 329.435 1.953 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000428985437 305021590 /nfs/dbraw/zinc/02/15/90/305021590.db2.gz VDVVSVMGTDVOPP-HHARLNAUSA-N 2 1 325.497 1.625 20 0 EDADMP CCOC1(C)CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000430111926 305045820 /nfs/dbraw/zinc/04/58/20/305045820.db2.gz VTOYLIOZLVGLBQ-UHFFFAOYSA-N 2 1 333.480 1.619 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430544912 305056006 /nfs/dbraw/zinc/05/60/06/305056006.db2.gz PEXUFFWETOPTGK-LBPRGKRZSA-N 2 1 340.855 1.892 20 0 EDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000430597066 305057710 /nfs/dbraw/zinc/05/77/10/305057710.db2.gz YLUUIWQIIGYJJZ-GOEBONIOSA-N 2 1 334.464 1.706 20 0 EDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000430597066 305057711 /nfs/dbraw/zinc/05/77/11/305057711.db2.gz YLUUIWQIIGYJJZ-GOEBONIOSA-N 2 1 334.464 1.706 20 0 EDADMP CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000430633088 305060314 /nfs/dbraw/zinc/06/03/14/305060314.db2.gz BIIBJPUTPIFQCQ-HZPDHXFCSA-N 2 1 346.475 1.215 20 0 EDADMP O=C([C@H]1CCC[N@@H+](CCCOc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430637341 305060514 /nfs/dbraw/zinc/06/05/14/305060514.db2.gz CLNIQDUOZMKUPV-KRWDZBQOSA-N 2 1 331.460 1.599 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000431015217 305072966 /nfs/dbraw/zinc/07/29/66/305072966.db2.gz SNALIUHFXQNBAL-ROUUACIJSA-N 2 1 338.540 1.818 20 0 EDADMP CC(C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000431512421 305078562 /nfs/dbraw/zinc/07/85/62/305078562.db2.gz OSRCNXNWKCLSCH-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000431512421 305078563 /nfs/dbraw/zinc/07/85/63/305078563.db2.gz OSRCNXNWKCLSCH-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CCCO1 ZINC000433280430 305104764 /nfs/dbraw/zinc/10/47/64/305104764.db2.gz BXUPXGWKGMKDQO-IKGGRYGDSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCCO1 ZINC000433280430 305104765 /nfs/dbraw/zinc/10/47/65/305104765.db2.gz BXUPXGWKGMKDQO-IKGGRYGDSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCCO1 ZINC000433280430 305104766 /nfs/dbraw/zinc/10/47/66/305104766.db2.gz BXUPXGWKGMKDQO-IKGGRYGDSA-N 2 1 338.496 1.413 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC[NH+](C)C1CCCC1 ZINC000434178528 305118453 /nfs/dbraw/zinc/11/84/53/305118453.db2.gz DIBMEBVITINHOK-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC[NH+](C)C1CCCC1 ZINC000434178528 305118454 /nfs/dbraw/zinc/11/84/54/305118454.db2.gz DIBMEBVITINHOK-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000434178528 305118455 /nfs/dbraw/zinc/11/84/55/305118455.db2.gz DIBMEBVITINHOK-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000434178528 305118456 /nfs/dbraw/zinc/11/84/56/305118456.db2.gz DIBMEBVITINHOK-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000435378387 305139367 /nfs/dbraw/zinc/13/93/67/305139367.db2.gz DOMHZVFOIRLEOS-HIFRSBDPSA-N 2 1 335.448 1.379 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000435378387 305139368 /nfs/dbraw/zinc/13/93/68/305139368.db2.gz DOMHZVFOIRLEOS-HIFRSBDPSA-N 2 1 335.448 1.379 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)CC[C@H]1[NH3+] ZINC000435377164 305139407 /nfs/dbraw/zinc/13/94/07/305139407.db2.gz YRHOYWRGHDOVPH-WMLDXEAASA-N 2 1 331.460 1.761 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)CC[C@H]1[NH3+] ZINC000435377164 305139408 /nfs/dbraw/zinc/13/94/08/305139408.db2.gz YRHOYWRGHDOVPH-WMLDXEAASA-N 2 1 331.460 1.761 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000435387060 305139616 /nfs/dbraw/zinc/13/96/16/305139616.db2.gz WRURUCVDOZXHQE-GOEBONIOSA-N 2 1 349.475 1.769 20 0 EDADMP CC[N@H+](CC(=O)NCc1cccc(COC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435623191 305143806 /nfs/dbraw/zinc/14/38/06/305143806.db2.gz GLFXTCIVYVOESA-GOSISDBHSA-N 2 1 333.476 1.913 20 0 EDADMP CC[N@@H+](CC(=O)NCc1cccc(COC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435623191 305143807 /nfs/dbraw/zinc/14/38/07/305143807.db2.gz GLFXTCIVYVOESA-GOSISDBHSA-N 2 1 333.476 1.913 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000436300854 305155558 /nfs/dbraw/zinc/15/55/58/305155558.db2.gz LFWKPTXNNVGVGW-ZMSDIMECSA-N 2 1 333.476 1.672 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000436300854 305155559 /nfs/dbraw/zinc/15/55/59/305155559.db2.gz LFWKPTXNNVGVGW-ZMSDIMECSA-N 2 1 333.476 1.672 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000660701348 453525862 /nfs/dbraw/zinc/52/58/62/453525862.db2.gz RBDCFKMGQHFTGG-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660701348 453525869 /nfs/dbraw/zinc/52/58/69/453525869.db2.gz RBDCFKMGQHFTGG-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660701348 453525879 /nfs/dbraw/zinc/52/58/79/453525879.db2.gz RBDCFKMGQHFTGG-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000440171646 305204340 /nfs/dbraw/zinc/20/43/40/305204340.db2.gz BCPMZNARNHECRV-KRWDZBQOSA-N 2 1 333.480 1.725 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000440979876 305215353 /nfs/dbraw/zinc/21/53/53/305215353.db2.gz MHTPURSQVZAJCJ-UHFFFAOYSA-N 2 1 339.528 1.184 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000443673573 305240877 /nfs/dbraw/zinc/24/08/77/305240877.db2.gz ICZGFIOVQBVYLT-YESZJQIVSA-N 2 1 325.497 1.866 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000448253064 305294539 /nfs/dbraw/zinc/29/45/39/305294539.db2.gz VIJHWMYNYHZRJA-HZPDHXFCSA-N 2 1 340.512 1.253 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C[C@@H]1CC ZINC000449347818 305312069 /nfs/dbraw/zinc/31/20/69/305312069.db2.gz JGDIEXMWIGQSDE-ULQDDVLXSA-N 2 1 325.497 1.853 20 0 EDADMP COC(=O)CCC[NH+]1CCC(NCC[N@H+]2CCCC2(C)C)CC1 ZINC000449778263 305318777 /nfs/dbraw/zinc/31/87/77/305318777.db2.gz BEKPQAWLOCEWTG-UHFFFAOYSA-N 2 1 325.497 1.868 20 0 EDADMP C[C@@]12C[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451371719 305342036 /nfs/dbraw/zinc/34/20/36/305342036.db2.gz PUJQRPNNVUSNBP-SLGAXEFGSA-N 2 1 329.488 1.873 20 0 EDADMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452343244 305390368 /nfs/dbraw/zinc/39/03/68/305390368.db2.gz ATWMGLRLWPVIBG-QZTJIDSGSA-N 2 1 333.476 1.122 20 0 EDADMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452343244 305390369 /nfs/dbraw/zinc/39/03/69/305390369.db2.gz ATWMGLRLWPVIBG-QZTJIDSGSA-N 2 1 333.476 1.122 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNCc2cc(C3CC[NH2+]CC3)no2)CCCO1 ZINC000425897296 447353640 /nfs/dbraw/zinc/35/36/40/447353640.db2.gz STHDISSCUMZZAT-OAHLLOKOSA-N 2 1 336.480 1.732 20 0 EDADMP OCCOc1ccc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000425903627 447354627 /nfs/dbraw/zinc/35/46/27/447354627.db2.gz WTCPVTRHAOMZDK-UHFFFAOYSA-N 2 1 331.416 1.803 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000540913506 306041275 /nfs/dbraw/zinc/04/12/75/306041275.db2.gz RKBOVBQZIQNHEE-GUDVDZBRSA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000540913506 306041276 /nfs/dbraw/zinc/04/12/76/306041276.db2.gz RKBOVBQZIQNHEE-GUDVDZBRSA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000540913506 306041277 /nfs/dbraw/zinc/04/12/77/306041277.db2.gz RKBOVBQZIQNHEE-GUDVDZBRSA-N 2 1 342.487 1.846 20 0 EDADMP C[C@@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C1=CC[N@H+](C)CC1 ZINC000540972728 306042723 /nfs/dbraw/zinc/04/27/23/306042723.db2.gz FZFSVZQMUIKSSY-GFCCVEGCSA-N 2 1 342.447 1.415 20 0 EDADMP C[C@@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C1=CC[N@@H+](C)CC1 ZINC000540972728 306042724 /nfs/dbraw/zinc/04/27/24/306042724.db2.gz FZFSVZQMUIKSSY-GFCCVEGCSA-N 2 1 342.447 1.415 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000541893932 306049106 /nfs/dbraw/zinc/04/91/06/306049106.db2.gz LVOIKLBKRPQALW-OAHLLOKOSA-N 2 1 338.496 1.171 20 0 EDADMP C[C@@H](O)[C@@H]1CCC[N@@H+](CC2(C[NH+]3CCC[C@@H]([C@H](C)O)C3)COC2)C1 ZINC000542041662 306050741 /nfs/dbraw/zinc/05/07/41/306050741.db2.gz MWXNDKZMYGUTMT-XMTFNYHQSA-N 2 1 340.508 1.189 20 0 EDADMP C[C@@H](O)[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H]([C@H](C)O)C3)COC2)C1 ZINC000542041662 306050742 /nfs/dbraw/zinc/05/07/42/306050742.db2.gz MWXNDKZMYGUTMT-XMTFNYHQSA-N 2 1 340.508 1.189 20 0 EDADMP C[C@@H](O)[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H]([C@H](C)O)C3)COC2)C1 ZINC000542041662 306050743 /nfs/dbraw/zinc/05/07/43/306050743.db2.gz MWXNDKZMYGUTMT-XMTFNYHQSA-N 2 1 340.508 1.189 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000544587834 306077052 /nfs/dbraw/zinc/07/70/52/306077052.db2.gz KMQORRXVKZTILL-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP CC(C)[N@H+](C)Cc1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000546547233 306093018 /nfs/dbraw/zinc/09/30/18/306093018.db2.gz BNGUTHAOJDLTBC-UHFFFAOYSA-N 2 1 330.436 1.724 20 0 EDADMP CC(C)[N@@H+](C)Cc1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000546547233 306093019 /nfs/dbraw/zinc/09/30/19/306093019.db2.gz BNGUTHAOJDLTBC-UHFFFAOYSA-N 2 1 330.436 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000547727431 306110218 /nfs/dbraw/zinc/11/02/18/306110218.db2.gz RODZBAUFVWUUQW-OAHLLOKOSA-N 2 1 334.464 1.212 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000557135835 306224939 /nfs/dbraw/zinc/22/49/39/306224939.db2.gz SVUXCCGKBKTFGC-MKXGPGLRSA-N 2 1 342.487 1.948 20 0 EDADMP COCC1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665146379 453588984 /nfs/dbraw/zinc/58/89/84/453588984.db2.gz WOMFSEFKMRVMDZ-GTPINHCMSA-N 2 1 342.528 1.763 20 0 EDADMP COCC1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665146379 453588986 /nfs/dbraw/zinc/58/89/86/453588986.db2.gz WOMFSEFKMRVMDZ-GTPINHCMSA-N 2 1 342.528 1.763 20 0 EDADMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414948493 447369284 /nfs/dbraw/zinc/36/92/84/447369284.db2.gz XKBXCYURQQUHAA-BLLLJJGKSA-N 2 1 330.432 1.073 20 0 EDADMP CC[C@]1(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC[NH2+]C1 ZINC000378219224 447408821 /nfs/dbraw/zinc/40/88/21/447408821.db2.gz IIZGIMBHLNSZCN-JXFKEZNVSA-N 2 1 345.487 1.913 20 0 EDADMP CC[C@]1(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC[NH2+]C1 ZINC000378219224 447408817 /nfs/dbraw/zinc/40/88/17/447408817.db2.gz IIZGIMBHLNSZCN-JXFKEZNVSA-N 2 1 345.487 1.913 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000458637592 447435035 /nfs/dbraw/zinc/43/50/35/447435035.db2.gz GAFSOEYPZSWNRZ-CVEARBPZSA-N 2 1 339.528 1.184 20 0 EDADMP CNC(=O)NC(=O)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057844204 441138023 /nfs/dbraw/zinc/13/80/23/441138023.db2.gz GPEZUWAOUMYTPC-UHFFFAOYSA-N 2 1 346.475 1.676 20 0 EDADMP CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000104834111 441214185 /nfs/dbraw/zinc/21/41/85/441214185.db2.gz OYSROLMFKAMXNR-LJQANCHMSA-N 2 1 344.503 1.576 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000105193210 441241765 /nfs/dbraw/zinc/24/17/65/441241765.db2.gz ZHGANNDGEVROTD-INIZCTEOSA-N 2 1 340.512 1.517 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000104866895 441217266 /nfs/dbraw/zinc/21/72/66/441217266.db2.gz PMMBJEIXDPTGCW-ZWKOTPCHSA-N 2 1 330.476 1.186 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000104866895 441217272 /nfs/dbraw/zinc/21/72/72/441217272.db2.gz PMMBJEIXDPTGCW-ZWKOTPCHSA-N 2 1 330.476 1.186 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)[NH+]1CCOCC1 ZINC000047684278 441219492 /nfs/dbraw/zinc/21/94/92/441219492.db2.gz WZEJCVQDQNYHRB-QGZVFWFLSA-N 2 1 342.528 1.761 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000081298438 441250205 /nfs/dbraw/zinc/25/02/05/441250205.db2.gz DUBAYMXJWBXWCX-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000081298438 441250211 /nfs/dbraw/zinc/25/02/11/441250211.db2.gz DUBAYMXJWBXWCX-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000081298438 441250214 /nfs/dbraw/zinc/25/02/14/441250214.db2.gz DUBAYMXJWBXWCX-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000081298438 441250220 /nfs/dbraw/zinc/25/02/20/441250220.db2.gz DUBAYMXJWBXWCX-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000105233265 441243838 /nfs/dbraw/zinc/24/38/38/441243838.db2.gz YRIGKQKPYGYNPH-UHFFFAOYSA-N 2 1 340.512 1.661 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1(O)CCCCC1 ZINC000073243107 441303969 /nfs/dbraw/zinc/30/39/69/441303969.db2.gz LAMMMRVJVCHUPX-QGZVFWFLSA-N 2 1 339.524 1.946 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000073991267 441379136 /nfs/dbraw/zinc/37/91/36/441379136.db2.gz VBHISXIVBHITJR-QGZVFWFLSA-N 2 1 334.464 1.131 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000073991267 441379140 /nfs/dbraw/zinc/37/91/40/441379140.db2.gz VBHISXIVBHITJR-QGZVFWFLSA-N 2 1 334.464 1.131 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000073991267 441379145 /nfs/dbraw/zinc/37/91/45/441379145.db2.gz VBHISXIVBHITJR-QGZVFWFLSA-N 2 1 334.464 1.131 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000073991267 441379150 /nfs/dbraw/zinc/37/91/50/441379150.db2.gz VBHISXIVBHITJR-QGZVFWFLSA-N 2 1 334.464 1.131 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000085362916 441433880 /nfs/dbraw/zinc/43/38/80/441433880.db2.gz SWUFXJCSYURAIM-HOTGVXAUSA-N 2 1 341.544 1.145 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000074853620 441472350 /nfs/dbraw/zinc/47/23/50/441472350.db2.gz XSDVMSXLAPEZEZ-IRXDYDNUSA-N 2 1 334.508 1.844 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000074853620 441472352 /nfs/dbraw/zinc/47/23/52/441472352.db2.gz XSDVMSXLAPEZEZ-IRXDYDNUSA-N 2 1 334.508 1.844 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000074853620 441472356 /nfs/dbraw/zinc/47/23/56/441472356.db2.gz XSDVMSXLAPEZEZ-IRXDYDNUSA-N 2 1 334.508 1.844 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108552353 441463000 /nfs/dbraw/zinc/46/30/00/441463000.db2.gz FDIWGSSVJOFLFR-LJQANCHMSA-N 2 1 342.487 1.828 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)CN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000109945873 441512764 /nfs/dbraw/zinc/51/27/64/441512764.db2.gz HAZMJKSCIYEULS-LJQANCHMSA-N 2 1 346.519 1.303 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000111511185 441536053 /nfs/dbraw/zinc/53/60/53/441536053.db2.gz MTBWVNQMYBVTEL-QGZVFWFLSA-N 2 1 331.464 1.788 20 0 EDADMP Cc1cc(NC(=O)CC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC000109751411 441504453 /nfs/dbraw/zinc/50/44/53/441504453.db2.gz FWSVBLIPQOUUNH-INIZCTEOSA-N 2 1 349.479 1.414 20 0 EDADMP Cc1cc(NC(=O)CC[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000109751411 441504454 /nfs/dbraw/zinc/50/44/54/441504454.db2.gz FWSVBLIPQOUUNH-INIZCTEOSA-N 2 1 349.479 1.414 20 0 EDADMP COCC[NH+]1CCC([NH2+]CCCN2C(=O)COc3ccccc32)CC1 ZINC000090104080 441621203 /nfs/dbraw/zinc/62/12/03/441621203.db2.gz RQPPKKQJJNDYKJ-UHFFFAOYSA-N 2 1 347.459 1.503 20 0 EDADMP C[N@H+](CCC(=O)N1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481140 441663085 /nfs/dbraw/zinc/66/30/85/441663085.db2.gz ISHJXLPUWVDWME-UHFFFAOYSA-N 2 1 345.487 1.832 20 0 EDADMP C[N@@H+](CCC(=O)N1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481140 441663087 /nfs/dbraw/zinc/66/30/87/441663087.db2.gz ISHJXLPUWVDWME-UHFFFAOYSA-N 2 1 345.487 1.832 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000077042012 441713966 /nfs/dbraw/zinc/71/39/66/441713966.db2.gz ZLUYUMMIHRVPQN-UHFFFAOYSA-N 2 1 333.436 1.402 20 0 EDADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000121530999 441725705 /nfs/dbraw/zinc/72/57/05/441725705.db2.gz VSRLMVNUWPRBMS-CYBMUJFWSA-N 2 1 325.478 1.859 20 0 EDADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NC(=O)NC(C)(C)C ZINC000116396802 441817551 /nfs/dbraw/zinc/81/75/51/441817551.db2.gz MBTUKABJUQRDLL-STQMWFEESA-N 2 1 328.501 1.955 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[NH+](C)CC)[C@@H](C)C1 ZINC000115811773 441781190 /nfs/dbraw/zinc/78/11/90/441781190.db2.gz MWHJXNVVIJWZKX-HOTGVXAUSA-N 2 1 328.501 1.374 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NCC[N@H+](C)CC)[C@@H](C)C1 ZINC000115811773 441781193 /nfs/dbraw/zinc/78/11/93/441781193.db2.gz MWHJXNVVIJWZKX-HOTGVXAUSA-N 2 1 328.501 1.374 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NCC[N@@H+](C)CC)[C@@H](C)C1 ZINC000115811773 441781196 /nfs/dbraw/zinc/78/11/96/441781196.db2.gz MWHJXNVVIJWZKX-HOTGVXAUSA-N 2 1 328.501 1.374 20 0 EDADMP COCC[NH+]1CCC(N[C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000173645064 441813613 /nfs/dbraw/zinc/81/36/13/441813613.db2.gz TWWVHFLEKTZLEQ-CQSZACIVSA-N 2 1 339.505 1.496 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NC3CC[NH+](C)CC3)CC2)[nH+]1 ZINC000117025158 441862960 /nfs/dbraw/zinc/86/29/60/441862960.db2.gz UFKRWZASBXXLDH-UHFFFAOYSA-N 2 1 331.464 1.752 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000174522236 441933379 /nfs/dbraw/zinc/93/33/79/441933379.db2.gz IBKGQOLKVSUWHI-MRXNPFEDSA-N 2 1 345.491 1.247 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N(C1CC1)C1CCCC1 ZINC000174726817 441961085 /nfs/dbraw/zinc/96/10/85/441961085.db2.gz TVVVIVNEWLWSTC-UHFFFAOYSA-N 2 1 336.524 1.489 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000175249388 442025583 /nfs/dbraw/zinc/02/55/83/442025583.db2.gz RKFSMBOPYUMHRN-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000175249388 442025589 /nfs/dbraw/zinc/02/55/89/442025589.db2.gz RKFSMBOPYUMHRN-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000175249388 442025594 /nfs/dbraw/zinc/02/55/94/442025594.db2.gz RKFSMBOPYUMHRN-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP CC(=O)NC1CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000161859352 442038121 /nfs/dbraw/zinc/03/81/21/442038121.db2.gz BQYQKIBWQCENIW-MHJFOBGBSA-N 2 1 345.487 1.790 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175634156 442096544 /nfs/dbraw/zinc/09/65/44/442096544.db2.gz QHBPSKBYNMAKCS-UHFFFAOYSA-N 2 1 340.512 1.661 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000126355588 442102667 /nfs/dbraw/zinc/10/26/67/442102667.db2.gz SAUQWZJKEJTBIM-QAPCUYQASA-N 2 1 342.528 1.499 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000176085915 442173933 /nfs/dbraw/zinc/17/39/33/442173933.db2.gz VXKVOWCKIRDQNJ-CQSZACIVSA-N 2 1 346.475 1.594 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)c1ccccc1 ZINC000170693157 442249776 /nfs/dbraw/zinc/24/97/76/442249776.db2.gz CKJFSYYGTWADMD-SFHVURJKSA-N 2 1 333.476 1.908 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CCCC[NH+]1CCOCC1)c1cccs1 ZINC000170693252 442249959 /nfs/dbraw/zinc/24/99/59/442249959.db2.gz URGRWPOIVIXWCK-OAHLLOKOSA-N 2 1 339.505 1.970 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[NH+](CC)C2CC2)[C@@H](C)C1 ZINC000152692914 442238240 /nfs/dbraw/zinc/23/82/40/442238240.db2.gz NMTMERXTQQBRPU-RDJZCZTQSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[N@H+](CC)C2CC2)[C@@H](C)C1 ZINC000152692914 442238243 /nfs/dbraw/zinc/23/82/43/442238243.db2.gz NMTMERXTQQBRPU-RDJZCZTQSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](CC)C2CC2)[C@@H](C)C1 ZINC000152692914 442238247 /nfs/dbraw/zinc/23/82/47/442238247.db2.gz NMTMERXTQQBRPU-RDJZCZTQSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)OCCO2 ZINC000128083858 442243909 /nfs/dbraw/zinc/24/39/09/442243909.db2.gz CMHPFSJESFSQOO-HOCLYGCPSA-N 2 1 347.459 1.696 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000128510153 442271219 /nfs/dbraw/zinc/27/12/19/442271219.db2.gz HEFBHJMCUKJMKJ-ZWKOTPCHSA-N 2 1 344.503 1.798 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCOCC1(C)C ZINC000171105047 442313010 /nfs/dbraw/zinc/31/30/10/442313010.db2.gz MTLPLPBUXASPKT-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000132238928 442389335 /nfs/dbraw/zinc/38/93/35/442389335.db2.gz UPSHLDMPCNYZIV-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000177551768 442356839 /nfs/dbraw/zinc/35/68/39/442356839.db2.gz GPKOLCUCDPORTQ-HNNXBMFYSA-N 2 1 336.484 1.640 20 0 EDADMP CC[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000130939445 442360769 /nfs/dbraw/zinc/36/07/69/442360769.db2.gz YURNZMUKTKQXKA-GBESFXJTSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000130939445 442360773 /nfs/dbraw/zinc/36/07/73/442360773.db2.gz YURNZMUKTKQXKA-GBESFXJTSA-N 2 1 345.487 1.782 20 0 EDADMP C[N@@H+](CCNC(=O)CN1CCN(c2ccccn2)CC1)C1CCCC1 ZINC000155898541 442435215 /nfs/dbraw/zinc/43/52/15/442435215.db2.gz COTJVGAPHYCGBH-UHFFFAOYSA-N 2 1 345.491 1.194 20 0 EDADMP C[NH+](CCOCC[N@H+](C)C[C@@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000178669830 442454235 /nfs/dbraw/zinc/45/42/35/442454235.db2.gz UXLBZRBVEPGPOH-ROUUACIJSA-N 2 1 328.497 1.720 20 0 EDADMP C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000172583606 442496134 /nfs/dbraw/zinc/49/61/34/442496134.db2.gz FKCBTGDGFRDTET-QGZVFWFLSA-N 2 1 346.475 1.676 20 0 EDADMP C[NH+](CCC(=O)NC(=O)NCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000172583606 442496137 /nfs/dbraw/zinc/49/61/37/442496137.db2.gz FKCBTGDGFRDTET-QGZVFWFLSA-N 2 1 346.475 1.676 20 0 EDADMP C[NH+](CCC(=O)NC(=O)NCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172583606 442496141 /nfs/dbraw/zinc/49/61/41/442496141.db2.gz FKCBTGDGFRDTET-QGZVFWFLSA-N 2 1 346.475 1.676 20 0 EDADMP O=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000180172480 442553646 /nfs/dbraw/zinc/55/36/46/442553646.db2.gz LMJOSBKVESDFQX-YQQQUEKLSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000180172480 442553652 /nfs/dbraw/zinc/55/36/52/442553652.db2.gz LMJOSBKVESDFQX-YQQQUEKLSA-N 2 1 343.471 1.630 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000179190063 442594102 /nfs/dbraw/zinc/59/41/02/442594102.db2.gz MOTKIUVUORIFRJ-ROUUACIJSA-N 2 1 348.491 1.699 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179190063 442594106 /nfs/dbraw/zinc/59/41/06/442594106.db2.gz MOTKIUVUORIFRJ-ROUUACIJSA-N 2 1 348.491 1.699 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179190063 442594109 /nfs/dbraw/zinc/59/41/09/442594109.db2.gz MOTKIUVUORIFRJ-ROUUACIJSA-N 2 1 348.491 1.699 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000179214813 442598340 /nfs/dbraw/zinc/59/83/40/442598340.db2.gz VEQNLAVHZRQWLQ-MJGOQNOKSA-N 2 1 344.503 1.390 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000136298904 442658194 /nfs/dbraw/zinc/65/81/94/442658194.db2.gz DHVOHSIZCXIXJU-IRXDYDNUSA-N 2 1 334.464 1.683 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000136298904 442658196 /nfs/dbraw/zinc/65/81/96/442658196.db2.gz DHVOHSIZCXIXJU-IRXDYDNUSA-N 2 1 334.464 1.683 20 0 EDADMP CC(C)N1CCC[C@@H]([N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)C1=O ZINC000179302883 442616708 /nfs/dbraw/zinc/61/67/08/442616708.db2.gz KMXOEYMBCNWOFH-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)N1CCC[C@@H]([N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)C1=O ZINC000179302883 442616711 /nfs/dbraw/zinc/61/67/11/442616711.db2.gz KMXOEYMBCNWOFH-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H](CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[N@@H+](C)C1CC1 ZINC000135653369 442623512 /nfs/dbraw/zinc/62/35/12/442623512.db2.gz DWOKZTZQBFOHRH-AWEZNQCLSA-N 2 1 349.479 1.304 20 0 EDADMP C[N@@H+](CC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCSC1 ZINC000157969878 442632945 /nfs/dbraw/zinc/63/29/45/442632945.db2.gz MRKSONZTNASDST-MRXNPFEDSA-N 2 1 325.522 1.901 20 0 EDADMP C[C@H]1CN(CCN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000192835132 442691338 /nfs/dbraw/zinc/69/13/38/442691338.db2.gz ZLYWJGYJBMWJLB-AZUAARDMSA-N 2 1 347.503 1.276 20 0 EDADMP C[C@H]1CN(CC[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)CCO1 ZINC000192835132 442691341 /nfs/dbraw/zinc/69/13/41/442691341.db2.gz ZLYWJGYJBMWJLB-AZUAARDMSA-N 2 1 347.503 1.276 20 0 EDADMP C[C@H]1CN(CC[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)CCO1 ZINC000192835132 442691342 /nfs/dbraw/zinc/69/13/42/442691342.db2.gz ZLYWJGYJBMWJLB-AZUAARDMSA-N 2 1 347.503 1.276 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000193002167 442704343 /nfs/dbraw/zinc/70/43/43/442704343.db2.gz VJTKQKXZYHPIPF-YQQQUEKLSA-N 2 1 344.503 1.693 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000193002167 442704346 /nfs/dbraw/zinc/70/43/46/442704346.db2.gz VJTKQKXZYHPIPF-YQQQUEKLSA-N 3 1 344.503 1.693 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000193002167 442704349 /nfs/dbraw/zinc/70/43/49/442704349.db2.gz VJTKQKXZYHPIPF-YQQQUEKLSA-N 3 1 344.503 1.693 20 0 EDADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1CCO ZINC000187256940 442664364 /nfs/dbraw/zinc/66/43/64/442664364.db2.gz OUTBJJZCZDVJAQ-MRXNPFEDSA-N 2 1 331.460 1.421 20 0 EDADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1CCO ZINC000187256940 442664367 /nfs/dbraw/zinc/66/43/67/442664367.db2.gz OUTBJJZCZDVJAQ-MRXNPFEDSA-N 2 1 331.460 1.421 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246335384 442773573 /nfs/dbraw/zinc/77/35/73/442773573.db2.gz LJQYPRKDDRGQHZ-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246335384 442773577 /nfs/dbraw/zinc/77/35/77/442773577.db2.gz LJQYPRKDDRGQHZ-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246335384 442773579 /nfs/dbraw/zinc/77/35/79/442773579.db2.gz LJQYPRKDDRGQHZ-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000268002851 442814296 /nfs/dbraw/zinc/81/42/96/442814296.db2.gz NWNAYHAFIAXCFO-SJORKVTESA-N 2 1 334.464 1.980 20 0 EDADMP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1nccn1C ZINC000182782723 442824217 /nfs/dbraw/zinc/82/42/17/442824217.db2.gz STJJRFXABRIEGY-QGZVFWFLSA-N 2 1 343.475 1.952 20 0 EDADMP COc1cccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)[NH+](C)C)c1 ZINC000247250432 442844013 /nfs/dbraw/zinc/84/40/13/442844013.db2.gz WDVOJWJIQFHPBW-MAUKXSAKSA-N 2 1 348.491 1.939 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000171773858 318435943 /nfs/dbraw/zinc/43/59/43/318435943.db2.gz GFZIGSBJNOKKDV-UHFFFAOYSA-N 2 1 341.496 1.106 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C[NH+]1CCOCC1 ZINC000265728826 442896937 /nfs/dbraw/zinc/89/69/37/442896937.db2.gz RTAVQOLVKZSSGU-WMZOPIPTSA-N 2 1 348.491 1.557 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)OCc1ccccc1 ZINC000182963245 442855601 /nfs/dbraw/zinc/85/56/01/442855601.db2.gz REFYONGWWVTDHG-UHFFFAOYSA-N 2 1 333.476 1.689 20 0 EDADMP C[C@]1(C(N)=O)CCCC[NH+]1C/C=C/C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000248629533 442910155 /nfs/dbraw/zinc/91/01/55/442910155.db2.gz VZDJYDBEBXQPOU-HNGSOEQISA-N 2 1 336.480 1.002 20 0 EDADMP C[C@]1(C(N)=O)CCCC[NH+]1C/C=C/C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000248629533 442910159 /nfs/dbraw/zinc/91/01/59/442910159.db2.gz VZDJYDBEBXQPOU-HNGSOEQISA-N 2 1 336.480 1.002 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000189290978 442913759 /nfs/dbraw/zinc/91/37/59/442913759.db2.gz BYRNBYNBOCQMBZ-RYQLBKOJSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(C)=O)c[nH]1 ZINC000194872944 442963591 /nfs/dbraw/zinc/96/35/91/442963591.db2.gz DXAOBVWVLQZCGK-INIZCTEOSA-N 2 1 334.464 1.705 20 0 EDADMP C[C@@H]1CN(CCN(C)C(=O)NCC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000194954298 442972532 /nfs/dbraw/zinc/97/25/32/442972532.db2.gz PLZOMRFUFDJNNZ-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC[NH+](C)C2CCCC2)C[C@H](C)O1 ZINC000194954298 442972535 /nfs/dbraw/zinc/97/25/35/442972535.db2.gz PLZOMRFUFDJNNZ-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCC[NH+](C)C2CCCC2)C[C@H](C)O1 ZINC000194954298 442972539 /nfs/dbraw/zinc/97/25/39/442972539.db2.gz PLZOMRFUFDJNNZ-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)NCC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000194954298 442972541 /nfs/dbraw/zinc/97/25/41/442972541.db2.gz PLZOMRFUFDJNNZ-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)NCC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000194954298 442972545 /nfs/dbraw/zinc/97/25/45/442972545.db2.gz PLZOMRFUFDJNNZ-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000184074563 442989060 /nfs/dbraw/zinc/98/90/60/442989060.db2.gz QWQWSYNYMAGWEP-INIZCTEOSA-N 2 1 332.492 1.504 20 0 EDADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)CC[C@@H]1C ZINC000251994291 443021549 /nfs/dbraw/zinc/02/15/49/443021549.db2.gz WEGQKTXTSMUSSZ-GVDBMIGSSA-N 2 1 346.475 1.476 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000190270247 443079226 /nfs/dbraw/zinc/07/92/26/443079226.db2.gz AGJWYCYLSCKSAP-ZDUSSCGKSA-N 2 1 329.366 1.748 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000190270247 443079227 /nfs/dbraw/zinc/07/92/27/443079227.db2.gz AGJWYCYLSCKSAP-ZDUSSCGKSA-N 2 1 329.366 1.748 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N(C)CC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000185108713 443139143 /nfs/dbraw/zinc/13/91/43/443139143.db2.gz PVXXSEJCUUDVQY-GJZGRUSLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000268812434 443115948 /nfs/dbraw/zinc/11/59/48/443115948.db2.gz FHENGVSVUPXUAL-PBHICJAKSA-N 2 1 333.432 1.751 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC[N@@H+]1C ZINC000185293215 443177464 /nfs/dbraw/zinc/17/74/64/443177464.db2.gz DYDIWKZUQKOWFU-ZBFHGGJFSA-N 2 1 337.489 1.799 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC[N@H+]1C ZINC000185293215 443177470 /nfs/dbraw/zinc/17/74/70/443177470.db2.gz DYDIWKZUQKOWFU-ZBFHGGJFSA-N 2 1 337.489 1.799 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@H](C)O1 ZINC000237607496 443177644 /nfs/dbraw/zinc/17/76/44/443177644.db2.gz VIVOVZUASQCFHP-JTDSTZFVSA-N 2 1 345.487 1.879 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000237914478 443187571 /nfs/dbraw/zinc/18/75/71/443187571.db2.gz MZGLHPALWSULBB-RBUKOAKNSA-N 2 1 344.503 1.438 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000245397018 443222936 /nfs/dbraw/zinc/22/29/36/443222936.db2.gz NOGLVBCHLUJZRS-JKSUJKDBSA-N 2 1 328.501 1.373 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000245397018 443222937 /nfs/dbraw/zinc/22/29/37/443222937.db2.gz NOGLVBCHLUJZRS-JKSUJKDBSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000350920426 319079661 /nfs/dbraw/zinc/07/96/61/319079661.db2.gz DKCZYOXTCKOWQU-OKILXGFUSA-N 2 1 349.479 1.538 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000350920426 319079663 /nfs/dbraw/zinc/07/96/63/319079663.db2.gz DKCZYOXTCKOWQU-OKILXGFUSA-N 2 1 349.479 1.538 20 0 EDADMP COC1(C(=O)N2CC[NH+](CCc3cccs3)CC2)CC[NH2+]CC1 ZINC000269249160 443250182 /nfs/dbraw/zinc/25/01/82/443250182.db2.gz WXIWPXRDNCJMFA-UHFFFAOYSA-N 2 1 337.489 1.203 20 0 EDADMP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504226 319112865 /nfs/dbraw/zinc/11/28/65/319112865.db2.gz IGJXYSSVOURJOQ-AWEZNQCLSA-N 2 1 342.443 1.436 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000382659156 319124292 /nfs/dbraw/zinc/12/42/92/319124292.db2.gz NWASONKTARGZTR-UYAOXDASSA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000382659156 319124293 /nfs/dbraw/zinc/12/42/93/319124293.db2.gz NWASONKTARGZTR-UYAOXDASSA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000382659156 319124294 /nfs/dbraw/zinc/12/42/94/319124294.db2.gz NWASONKTARGZTR-UYAOXDASSA-N 2 1 349.519 1.522 20 0 EDADMP COC[C@]1(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000382738352 319125194 /nfs/dbraw/zinc/12/51/94/319125194.db2.gz KSQRXPRUJKQIEV-XLIONFOSSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccn(C)n1 ZINC000414090762 319317051 /nfs/dbraw/zinc/31/70/51/319317051.db2.gz CJGGCPQNMNWNRT-QAPCUYQASA-N 2 1 343.475 1.360 20 0 EDADMP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414684374 319342125 /nfs/dbraw/zinc/34/21/25/319342125.db2.gz VITMMBCCBXIZAC-RDBSUJKOSA-N 2 1 325.478 1.715 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000415182742 319348000 /nfs/dbraw/zinc/34/80/00/319348000.db2.gz BXQHHSMQKJHZGP-INIZCTEOSA-N 2 1 344.459 1.478 20 0 EDADMP C[C@H](CN1CCOCC1)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000246138998 443271737 /nfs/dbraw/zinc/27/17/37/443271737.db2.gz RXAUYBDCBKDASJ-GUDVDZBRSA-N 2 1 338.540 1.198 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCCCC[NH+](C)C)cc2)CC1 ZINC000266876537 443275810 /nfs/dbraw/zinc/27/58/10/443275810.db2.gz YYXZUQIXQPXSTK-UHFFFAOYSA-N 2 1 332.492 1.506 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CN(C)CCO3)cc2)C1 ZINC000266926185 443292615 /nfs/dbraw/zinc/29/26/15/443292615.db2.gz QZJKWDCNWVDENT-CRAIPNDOSA-N 2 1 347.459 1.676 20 0 EDADMP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3C[NH+](C)CCO3)cc2)C1 ZINC000266926185 443292617 /nfs/dbraw/zinc/29/26/17/443292617.db2.gz QZJKWDCNWVDENT-CRAIPNDOSA-N 2 1 347.459 1.676 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3C[NH+](C)CCO3)cc2)C1 ZINC000266926185 443292619 /nfs/dbraw/zinc/29/26/19/443292619.db2.gz QZJKWDCNWVDENT-CRAIPNDOSA-N 2 1 347.459 1.676 20 0 EDADMP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)[C@H]3C[N@H+](C)CCO3)cc2)C1 ZINC000266926185 443292621 /nfs/dbraw/zinc/29/26/21/443292621.db2.gz QZJKWDCNWVDENT-CRAIPNDOSA-N 2 1 347.459 1.676 20 0 EDADMP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)C1 ZINC000266926185 443292622 /nfs/dbraw/zinc/29/26/22/443292622.db2.gz QZJKWDCNWVDENT-CRAIPNDOSA-N 2 1 347.459 1.676 20 0 EDADMP Cc1c([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cnn1C(C)(C)C ZINC000191263744 443268290 /nfs/dbraw/zinc/26/82/90/443268290.db2.gz MTNRQJMGWLPORW-CQSZACIVSA-N 2 1 335.496 1.761 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC2([NH3+])CCCCC2)C[C@@H](C)O1 ZINC000416928462 319476603 /nfs/dbraw/zinc/47/66/03/319476603.db2.gz YNVVKQBDBCDLRZ-HUUCEWRRSA-N 2 1 340.512 1.835 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000416938239 319479250 /nfs/dbraw/zinc/47/92/50/319479250.db2.gz KQRBXUDDQRYHCH-HZPDHXFCSA-N 2 1 328.501 1.358 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267137844 443353992 /nfs/dbraw/zinc/35/39/92/443353992.db2.gz DSTZCFCFBKEJMV-BBRMVZONSA-N 2 1 339.509 1.564 20 0 EDADMP CC[NH+](CC)CCC[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000264636847 443356469 /nfs/dbraw/zinc/35/64/69/443356469.db2.gz TVWUMJJVIMZLHQ-UHFFFAOYSA-N 2 1 343.493 1.377 20 0 EDADMP CC[NH+](CC)CCC[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000264636847 443356471 /nfs/dbraw/zinc/35/64/71/443356471.db2.gz TVWUMJJVIMZLHQ-UHFFFAOYSA-N 2 1 343.493 1.377 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CCCC[NH+]1CCOCC1 ZINC000264674111 443369157 /nfs/dbraw/zinc/36/91/57/443369157.db2.gz MOSMXGQUUUOFEG-IBGZPJMESA-N 2 1 347.503 1.778 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000269690565 443398320 /nfs/dbraw/zinc/39/83/20/443398320.db2.gz WPBDAJAWCMYTJA-KMFMINBZSA-N 2 1 346.475 1.696 20 0 EDADMP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000264964601 443493234 /nfs/dbraw/zinc/49/32/34/443493234.db2.gz AZLNORUEFOZOEC-KRWDZBQOSA-N 2 1 346.475 1.791 20 0 EDADMP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC000264964601 443493237 /nfs/dbraw/zinc/49/32/37/443493237.db2.gz AZLNORUEFOZOEC-KRWDZBQOSA-N 2 1 346.475 1.791 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000267418623 443450761 /nfs/dbraw/zinc/45/07/61/443450761.db2.gz LJAYTGDMYALUJZ-BPQIPLTHSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000267418623 443450764 /nfs/dbraw/zinc/45/07/64/443450764.db2.gz LJAYTGDMYALUJZ-BPQIPLTHSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000267418623 443450767 /nfs/dbraw/zinc/45/07/67/443450767.db2.gz LJAYTGDMYALUJZ-BPQIPLTHSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000267418623 443450771 /nfs/dbraw/zinc/45/07/71/443450771.db2.gz LJAYTGDMYALUJZ-BPQIPLTHSA-N 2 1 331.460 1.344 20 0 EDADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1C ZINC000423169193 319754767 /nfs/dbraw/zinc/75/47/67/319754767.db2.gz VQCDDEDTJRAUQC-IYWMVGAKSA-N 2 1 332.488 1.954 20 0 EDADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H]1OCCc2ccccc21 ZINC000283346358 443608653 /nfs/dbraw/zinc/60/86/53/443608653.db2.gz BCYWPROXCFAAHZ-GOSISDBHSA-N 2 1 331.460 1.396 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H]1OCCc2ccccc21 ZINC000283346358 443608656 /nfs/dbraw/zinc/60/86/56/443608656.db2.gz BCYWPROXCFAAHZ-GOSISDBHSA-N 2 1 331.460 1.396 20 0 EDADMP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436066966 320018746 /nfs/dbraw/zinc/01/87/46/320018746.db2.gz RWKJIGFNQNRGNN-OWCLPIDISA-N 2 1 338.496 1.001 20 0 EDADMP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436066966 320018747 /nfs/dbraw/zinc/01/87/47/320018747.db2.gz RWKJIGFNQNRGNN-OWCLPIDISA-N 2 1 338.496 1.001 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)C[N@H+]1C1CC1 ZINC000441055296 320087015 /nfs/dbraw/zinc/08/70/15/320087015.db2.gz ZDJWDODGOYKDEV-IOASZLSFSA-N 2 1 326.510 1.348 20 0 EDADMP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](CCO)c1ccccc1 ZINC000441410024 320094526 /nfs/dbraw/zinc/09/45/26/320094526.db2.gz PHCNSJYVQGLUNU-LJQANCHMSA-N 2 1 345.487 1.785 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](CCO)c1ccccc1 ZINC000441410024 320094528 /nfs/dbraw/zinc/09/45/28/320094528.db2.gz PHCNSJYVQGLUNU-LJQANCHMSA-N 2 1 345.487 1.785 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000457584341 320329462 /nfs/dbraw/zinc/32/94/62/320329462.db2.gz TXOZJCHKCXZOAX-QGZVFWFLSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[C@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000457607018 320330688 /nfs/dbraw/zinc/33/06/88/320330688.db2.gz RVJQYUMSRQSISE-INIZCTEOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC(=O)N1CCN(C)CC1)C(=O)OC(C)(C)C ZINC000459820837 320350283 /nfs/dbraw/zinc/35/02/83/320350283.db2.gz FIWYMZZLSPJZOW-AWEZNQCLSA-N 2 1 327.469 1.060 20 0 EDADMP C[C@@H](C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000459820837 320350284 /nfs/dbraw/zinc/35/02/84/320350284.db2.gz FIWYMZZLSPJZOW-AWEZNQCLSA-N 2 1 327.469 1.060 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000459820837 320350285 /nfs/dbraw/zinc/35/02/85/320350285.db2.gz FIWYMZZLSPJZOW-AWEZNQCLSA-N 2 1 327.469 1.060 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000461028145 320352311 /nfs/dbraw/zinc/35/23/11/320352311.db2.gz KCJFJJWXSCGJSG-QBPKDAKJSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000461028145 320352312 /nfs/dbraw/zinc/35/23/12/320352312.db2.gz KCJFJJWXSCGJSG-QBPKDAKJSA-N 2 1 327.513 1.965 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)CCC[NH3+])cc2F)CC1 ZINC000519648868 320469734 /nfs/dbraw/zinc/46/97/34/320469734.db2.gz VVLHLFKBGKAEFH-AWEZNQCLSA-N 2 1 336.455 1.825 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000527758063 320523640 /nfs/dbraw/zinc/52/36/40/320523640.db2.gz SUUJZMZWVSYBAN-RTBURBONSA-N 2 1 336.451 1.962 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ccccc2)C2(CO)CCC2)CC1 ZINC000292886872 443870591 /nfs/dbraw/zinc/87/05/91/443870591.db2.gz YMJCQJPYUVKNCV-LJQANCHMSA-N 2 1 345.487 1.644 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccn(C)c1 ZINC000277161344 443923569 /nfs/dbraw/zinc/92/35/69/443923569.db2.gz XBROUTKPVBULKA-BLGFXRMMSA-N 2 1 332.492 1.913 20 0 EDADMP COc1ccc(OCC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000299135461 443964802 /nfs/dbraw/zinc/96/48/02/443964802.db2.gz WTBAWJANNDKOJV-UHFFFAOYSA-N 2 1 349.475 1.558 20 0 EDADMP COc1ccc(OCC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000299135461 443964806 /nfs/dbraw/zinc/96/48/06/443964806.db2.gz WTBAWJANNDKOJV-UHFFFAOYSA-N 2 1 349.475 1.558 20 0 EDADMP Cc1cccc(N2CC[NH+](CCCNC(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC000299516607 444067641 /nfs/dbraw/zinc/06/76/41/444067641.db2.gz WIJNPIYWUYORCX-UHFFFAOYSA-N 2 1 346.519 1.964 20 0 EDADMP NS(=O)(=O)CCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285727446 444087495 /nfs/dbraw/zinc/08/74/95/444087495.db2.gz XISNBYUQACOETR-KRWDZBQOSA-N 2 1 337.489 1.263 20 0 EDADMP NS(=O)(=O)CCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285727446 444087498 /nfs/dbraw/zinc/08/74/98/444087498.db2.gz XISNBYUQACOETR-KRWDZBQOSA-N 2 1 337.489 1.263 20 0 EDADMP NS(=O)(=O)CCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285727446 444087500 /nfs/dbraw/zinc/08/75/00/444087500.db2.gz XISNBYUQACOETR-KRWDZBQOSA-N 2 1 337.489 1.263 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000563208879 321100447 /nfs/dbraw/zinc/10/04/47/321100447.db2.gz CXSGUMBEROGOLL-WBVHZDCISA-N 2 1 334.464 1.751 20 0 EDADMP CNC(=O)CCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563932222 321116085 /nfs/dbraw/zinc/11/60/85/321116085.db2.gz VCWMABJCIPPLBS-IYBDPMFKSA-N 2 1 325.497 1.724 20 0 EDADMP COc1cccc(N2CC[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000566110766 321216518 /nfs/dbraw/zinc/21/65/18/321216518.db2.gz PZGFTETZJKUYQR-CRAIPNDOSA-N 2 1 333.476 1.566 20 0 EDADMP COc1cccc(N2CC[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000566110766 321216520 /nfs/dbraw/zinc/21/65/20/321216520.db2.gz PZGFTETZJKUYQR-CRAIPNDOSA-N 2 1 333.476 1.566 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000567522650 321244651 /nfs/dbraw/zinc/24/46/51/321244651.db2.gz WPCAUWRCBHEEAX-QZTJIDSGSA-N 2 1 332.492 1.928 20 0 EDADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000567645875 321250525 /nfs/dbraw/zinc/25/05/25/321250525.db2.gz HVKKBHWRZDTPHA-CVEARBPZSA-N 2 1 325.478 1.356 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NCCC[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000568087272 321276474 /nfs/dbraw/zinc/27/64/74/321276474.db2.gz YNFMAPTWDFMPNK-MOPGFXCFSA-N 2 1 344.503 1.624 20 0 EDADMP CN(Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000569248175 321322689 /nfs/dbraw/zinc/32/26/89/321322689.db2.gz IIRXBJHYBILPHA-GFCCVEGCSA-N 2 1 345.896 1.761 20 0 EDADMP COc1cc(N[C@@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000570570910 321348988 /nfs/dbraw/zinc/34/89/88/321348988.db2.gz NXAFCUIJMUEQCJ-MRXNPFEDSA-N 2 1 348.491 1.485 20 0 EDADMP C[NH+](C)C[C@@H](O)C[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000570928178 321363817 /nfs/dbraw/zinc/36/38/17/321363817.db2.gz VCTPOHMSZXWUGQ-ZDUSSCGKSA-N 2 1 344.253 1.290 20 0 EDADMP CN(CCC[N@@H+](C)CCc1nc2ccccc2n1C)CC[NH+](C)C ZINC000289457087 444148888 /nfs/dbraw/zinc/14/88/88/444148888.db2.gz PQQAPJMRCYWYEJ-UHFFFAOYSA-N 2 1 331.508 1.931 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000301444120 444172032 /nfs/dbraw/zinc/17/20/32/444172032.db2.gz JLMOKEOFVDJVIE-HOTGVXAUSA-N 2 1 333.480 1.748 20 0 EDADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000296063245 444201989 /nfs/dbraw/zinc/20/19/89/444201989.db2.gz WBMIACVQXLLNOV-OHRKKDJYSA-N 2 1 337.489 1.871 20 0 EDADMP C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000304316006 444246592 /nfs/dbraw/zinc/24/65/92/444246592.db2.gz OIBJYZBJHJTUDB-UXHICEINSA-N 2 1 347.503 1.133 20 0 EDADMP C[NH+](C[C@H](O)CN1CCOCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000304316006 444246594 /nfs/dbraw/zinc/24/65/94/444246594.db2.gz OIBJYZBJHJTUDB-UXHICEINSA-N 2 1 347.503 1.133 20 0 EDADMP C[NH+](C[C@H](O)CN1CCOCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000304316006 444246596 /nfs/dbraw/zinc/24/65/96/444246596.db2.gz OIBJYZBJHJTUDB-UXHICEINSA-N 2 1 347.503 1.133 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000305706719 444274133 /nfs/dbraw/zinc/27/41/33/444274133.db2.gz WFXAFVBBEHCOFU-GUDVDZBRSA-N 2 1 345.487 1.612 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000305706719 444274134 /nfs/dbraw/zinc/27/41/34/444274134.db2.gz WFXAFVBBEHCOFU-GUDVDZBRSA-N 2 1 345.487 1.612 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000305706719 444274136 /nfs/dbraw/zinc/27/41/36/444274136.db2.gz WFXAFVBBEHCOFU-GUDVDZBRSA-N 2 1 345.487 1.612 20 0 EDADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000289966898 444225136 /nfs/dbraw/zinc/22/51/36/444225136.db2.gz XEVGTWFBMCPHSK-QGZVFWFLSA-N 2 1 337.489 1.785 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289997076 444228687 /nfs/dbraw/zinc/22/86/87/444228687.db2.gz YTFMBHZREURNKO-RHSMWYFYSA-N 2 1 337.489 1.785 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289997076 444228689 /nfs/dbraw/zinc/22/86/89/444228689.db2.gz YTFMBHZREURNKO-RHSMWYFYSA-N 2 1 337.489 1.785 20 0 EDADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000315835440 444306971 /nfs/dbraw/zinc/30/69/71/444306971.db2.gz DUFKBPSBHASYNO-UHFFFAOYSA-N 2 1 344.912 1.197 20 0 EDADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000315835440 444306975 /nfs/dbraw/zinc/30/69/75/444306975.db2.gz DUFKBPSBHASYNO-UHFFFAOYSA-N 2 1 344.912 1.197 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000316213357 444309419 /nfs/dbraw/zinc/30/94/19/444309419.db2.gz SSFRMWYISUNJHB-OAGGEKHMSA-N 2 1 329.510 1.122 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000337692479 444355811 /nfs/dbraw/zinc/35/58/11/444355811.db2.gz VSKYLTGQIAPNAZ-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000337692479 444355815 /nfs/dbraw/zinc/35/58/15/444355815.db2.gz VSKYLTGQIAPNAZ-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000337692479 444355818 /nfs/dbraw/zinc/35/58/18/444355818.db2.gz VSKYLTGQIAPNAZ-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP O=C(NCC[NH+]1CCC1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000337712644 444367485 /nfs/dbraw/zinc/36/74/85/444367485.db2.gz HWOYTFNQTPILAP-OAHLLOKOSA-N 2 1 336.505 1.965 20 0 EDADMP CN(CC[NH+]1CCCC1)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000340658451 444474829 /nfs/dbraw/zinc/47/48/29/444474829.db2.gz CHXPGAZNECNLMY-UHFFFAOYSA-N 2 1 344.503 1.358 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331203707 444442506 /nfs/dbraw/zinc/44/25/06/444442506.db2.gz ZYFMPIQQUCTLRO-OAHLLOKOSA-N 2 1 325.478 1.511 20 0 EDADMP CC1(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000580053558 322002486 /nfs/dbraw/zinc/00/24/86/322002486.db2.gz QIALQOTWCKOCOX-INIZCTEOSA-N 2 1 338.496 1.272 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580079130 322007126 /nfs/dbraw/zinc/00/71/26/322007126.db2.gz JMGQKDRKSHJGDJ-QUCCMNQESA-N 2 1 342.487 1.896 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000338044546 444498115 /nfs/dbraw/zinc/49/81/15/444498115.db2.gz BSDUEGFFXQLXQX-KZNAEPCWSA-N 2 1 338.540 1.497 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC2=CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000580420798 322048084 /nfs/dbraw/zinc/04/80/84/322048084.db2.gz QVWJKYZCVWRFBE-YJBOKZPZSA-N 2 1 328.460 1.868 20 0 EDADMP Cn1ccnc1[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](C)C1)C(F)(F)F ZINC000580568259 322069273 /nfs/dbraw/zinc/06/92/73/322069273.db2.gz AXDAOADXPUBLJQ-NWDGAFQWSA-N 2 1 332.370 1.914 20 0 EDADMP CC(C)[NH2+]CCC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000580705887 322084717 /nfs/dbraw/zinc/08/47/17/322084717.db2.gz QHWMIIUXKNEELN-KRWDZBQOSA-N 2 1 332.492 1.701 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2([NH3+])CCCCCC2)[C@@H](C)C1 ZINC000581478365 322182121 /nfs/dbraw/zinc/18/21/21/322182121.db2.gz GWSGYNCQEGWQBU-GJZGRUSLSA-N 2 1 326.485 1.135 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC[N@H+]1CC(C)(C)O ZINC000332226036 444506367 /nfs/dbraw/zinc/50/63/67/444506367.db2.gz BYRBOOQMQZAGCL-PMPSAXMXSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC[NH+]1CC(C)(C)O ZINC000332226036 444506369 /nfs/dbraw/zinc/50/63/69/444506369.db2.gz BYRBOOQMQZAGCL-PMPSAXMXSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH+]1CC(C)(C)O ZINC000332226036 444506370 /nfs/dbraw/zinc/50/63/70/444506370.db2.gz BYRBOOQMQZAGCL-PMPSAXMXSA-N 2 1 338.496 1.100 20 0 EDADMP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000332596365 444521626 /nfs/dbraw/zinc/52/16/26/444521626.db2.gz HVNGCYPKWPLMDE-QKPAOTATSA-N 2 1 329.510 1.311 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCCc3c(F)cccc3F)C[C@@H]21 ZINC000342140242 444529666 /nfs/dbraw/zinc/52/96/66/444529666.db2.gz OHZIKQHNOYOWCQ-HACGYAERSA-N 2 1 337.414 1.683 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCCc3c(F)cccc3F)C[C@@H]21 ZINC000342140242 444529668 /nfs/dbraw/zinc/52/96/68/444529668.db2.gz OHZIKQHNOYOWCQ-HACGYAERSA-N 2 1 337.414 1.683 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342152732 444536909 /nfs/dbraw/zinc/53/69/09/444536909.db2.gz YOUBRYWPJIJFDG-JQFCIGGWSA-N 2 1 338.473 1.528 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342152732 444536913 /nfs/dbraw/zinc/53/69/13/444536913.db2.gz YOUBRYWPJIJFDG-JQFCIGGWSA-N 2 1 338.473 1.528 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341012109 444631187 /nfs/dbraw/zinc/63/11/87/444631187.db2.gz HPUSPGYWPZTRAG-ULQDDVLXSA-N 2 1 338.496 1.365 20 0 EDADMP CCc1nc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000342379746 444666450 /nfs/dbraw/zinc/66/64/50/444666450.db2.gz OHMQPEKAIYAOOS-LJQANCHMSA-N 2 1 326.444 2.396 20 0 EDADMP CCc1nc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000342379746 444666456 /nfs/dbraw/zinc/66/64/56/444666456.db2.gz OHMQPEKAIYAOOS-LJQANCHMSA-N 2 1 326.444 2.396 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000333146334 444642040 /nfs/dbraw/zinc/64/20/40/444642040.db2.gz DRQLKGZPMFGZBP-KRWDZBQOSA-N 2 1 331.464 1.610 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000343968957 444701204 /nfs/dbraw/zinc/70/12/04/444701204.db2.gz BLAQILKWDHOWDU-QAPCUYQASA-N 2 1 332.492 1.984 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000343968957 444701209 /nfs/dbraw/zinc/70/12/09/444701209.db2.gz BLAQILKWDHOWDU-QAPCUYQASA-N 2 1 332.492 1.984 20 0 EDADMP Nc1nc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)nc2ccccc12 ZINC000333832524 444701568 /nfs/dbraw/zinc/70/15/68/444701568.db2.gz JRGJYLWGFYUBDI-YJBOKZPZSA-N 2 1 341.459 1.930 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)[C@H](c2ccccc2)C1 ZINC000333757127 444695259 /nfs/dbraw/zinc/69/52/59/444695259.db2.gz ZYYDQTWLXMVSSE-IRXDYDNUSA-N 2 1 332.448 1.063 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)[C@H](c2ccccc2)C1 ZINC000333757127 444695264 /nfs/dbraw/zinc/69/52/64/444695264.db2.gz ZYYDQTWLXMVSSE-IRXDYDNUSA-N 2 1 332.448 1.063 20 0 EDADMP C[C@@H]1CN(c2cncc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)n2)[C@@H](C)C[NH+]1C ZINC000342547014 444739672 /nfs/dbraw/zinc/73/96/72/444739672.db2.gz PXKOTDDJOSKJEY-FZKCQIBNSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1CN(c2cncc(N3C[C@H](C)[NH+](C)C[C@@H]3C)n2)[C@@H](C)C[N@H+]1C ZINC000342547014 444739678 /nfs/dbraw/zinc/73/96/78/444739678.db2.gz PXKOTDDJOSKJEY-FZKCQIBNSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1CN(c2cncc(N3C[C@H](C)[NH+](C)C[C@@H]3C)n2)[C@@H](C)C[N@@H+]1C ZINC000342547014 444739682 /nfs/dbraw/zinc/73/96/82/444739682.db2.gz PXKOTDDJOSKJEY-FZKCQIBNSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344032318 444740014 /nfs/dbraw/zinc/74/00/14/444740014.db2.gz PUUJZAPHOLVOGQ-IAGOWNOFSA-N 2 1 326.529 1.497 20 0 EDADMP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[N@H+]4CCCC[C@H]4C3)ncn2)C1 ZINC000334058130 444765646 /nfs/dbraw/zinc/76/56/46/444765646.db2.gz WXKMVJIXUJBFEK-XHSDSOJGSA-N 2 1 331.464 1.358 20 0 EDADMP C[C@H](O)[C@@H]1CCN(c2cc(N3CCN4CCCC[C@H]4C3)ncn2)C1 ZINC000334058130 444765648 /nfs/dbraw/zinc/76/56/48/444765648.db2.gz WXKMVJIXUJBFEK-XHSDSOJGSA-N 2 1 331.464 1.358 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000341438380 444832439 /nfs/dbraw/zinc/83/24/39/444832439.db2.gz ZQIPFUYCRLDRFL-CQSZACIVSA-N 2 1 340.512 1.658 20 0 EDADMP Cc1cnc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1C ZINC000342797906 444871546 /nfs/dbraw/zinc/87/15/46/444871546.db2.gz RDHVUXWNLOSACW-UHFFFAOYSA-N 2 1 349.523 1.645 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000341765882 444990637 /nfs/dbraw/zinc/99/06/37/444990637.db2.gz ABADOTQNXAIRBQ-AOIWGVFYSA-N 2 1 344.503 1.511 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000341765882 444990638 /nfs/dbraw/zinc/99/06/38/444990638.db2.gz ABADOTQNXAIRBQ-AOIWGVFYSA-N 2 1 344.503 1.511 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000343086933 445052071 /nfs/dbraw/zinc/05/20/71/445052071.db2.gz XKPFLWGATRCQFD-UHFFFAOYSA-N 2 1 336.524 1.491 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000341936714 445081995 /nfs/dbraw/zinc/08/19/95/445081995.db2.gz ANUIONSRGBNMPT-XNRPHZJLSA-N 2 1 326.510 1.206 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000342082697 445162248 /nfs/dbraw/zinc/16/22/48/445162248.db2.gz YYSSXCLPZNVVDU-QKPAOTATSA-N 2 1 325.497 1.863 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000342082697 445162252 /nfs/dbraw/zinc/16/22/52/445162252.db2.gz YYSSXCLPZNVVDU-QKPAOTATSA-N 2 1 325.497 1.863 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000337659279 445190948 /nfs/dbraw/zinc/19/09/48/445190948.db2.gz PLWTYVFTDMQRKF-JKSUJKDBSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000337659279 445190949 /nfs/dbraw/zinc/19/09/49/445190949.db2.gz PLWTYVFTDMQRKF-JKSUJKDBSA-N 2 1 340.512 1.469 20 0 EDADMP COCC(C)(C)[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000342053879 445146280 /nfs/dbraw/zinc/14/62/80/445146280.db2.gz JEHRTBQSGWFZRB-INIZCTEOSA-N 2 1 333.476 1.906 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339547857 445149007 /nfs/dbraw/zinc/14/90/07/445149007.db2.gz VOVRBHZETIOGGA-KYJSFNMBSA-N 2 1 334.508 1.842 20 0 EDADMP C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)COCC1CCOCC1 ZINC000343248523 445159715 /nfs/dbraw/zinc/15/97/15/445159715.db2.gz IAMYLJBQLOQTAT-RCCFBDPRSA-N 2 1 326.481 1.566 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[N@H+]2CCC[C@H](C)C2)[NH+](C)C1 ZINC000346225544 445208880 /nfs/dbraw/zinc/20/88/80/445208880.db2.gz ZRRJSMLXWRXJTR-HRCADAONSA-N 2 1 326.485 1.079 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[NH+]2CCC[C@H](C)C2)[N@H+](C)C1 ZINC000346225544 445208881 /nfs/dbraw/zinc/20/88/81/445208881.db2.gz ZRRJSMLXWRXJTR-HRCADAONSA-N 2 1 326.485 1.079 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[NH+]2CCC[C@H](C)C2)[N@@H+](C)C1 ZINC000346225544 445208882 /nfs/dbraw/zinc/20/88/82/445208882.db2.gz ZRRJSMLXWRXJTR-HRCADAONSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H]1[C@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCC[N@H+]1C ZINC000345734945 445197831 /nfs/dbraw/zinc/19/78/31/445197831.db2.gz COFWFZVEODAFDP-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP COC(=O)c1ccc(N2CC[N@H+](C[C@@H]3CCC[NH2+]C3)[C@H](C)C2)cc1 ZINC000346844020 445226505 /nfs/dbraw/zinc/22/65/05/445226505.db2.gz KNFCVXFRZFECIQ-HZPDHXFCSA-N 2 1 331.460 1.983 20 0 EDADMP COC(=O)c1ccc(N2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)[C@H](C)C2)cc1 ZINC000346844020 445226507 /nfs/dbraw/zinc/22/65/07/445226507.db2.gz KNFCVXFRZFECIQ-HZPDHXFCSA-N 2 1 331.460 1.983 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000343506473 445235582 /nfs/dbraw/zinc/23/55/82/445235582.db2.gz HNDNSAMIZLEDCH-MJQMVNBJSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000343506473 445235583 /nfs/dbraw/zinc/23/55/83/445235583.db2.gz HNDNSAMIZLEDCH-MJQMVNBJSA-N 2 1 337.508 1.722 20 0 EDADMP Cn1ccnc1CN1C[C@H](F)C[C@H]1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348102379 445268774 /nfs/dbraw/zinc/26/87/74/445268774.db2.gz NKJPXYNRTUGVCS-IKGGRYGDSA-N 2 1 337.487 1.749 20 0 EDADMP Cn1ccnc1CN1C[C@H](F)C[C@H]1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348102379 445268776 /nfs/dbraw/zinc/26/87/76/445268776.db2.gz NKJPXYNRTUGVCS-IKGGRYGDSA-N 2 1 337.487 1.749 20 0 EDADMP Cn1ccnc1CN1C[C@H](F)C[C@H]1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348102379 445268779 /nfs/dbraw/zinc/26/87/79/445268779.db2.gz NKJPXYNRTUGVCS-IKGGRYGDSA-N 2 1 337.487 1.749 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000351700176 445279211 /nfs/dbraw/zinc/27/92/11/445279211.db2.gz PXYNMDPMAXHPOE-OAHLLOKOSA-N 2 1 328.501 1.326 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C)N1CCOCC1 ZINC000343654126 445284771 /nfs/dbraw/zinc/28/47/71/445284771.db2.gz NNQIWLPRZATGQX-OAGGEKHMSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000343654126 445284776 /nfs/dbraw/zinc/28/47/76/445284776.db2.gz NNQIWLPRZATGQX-OAGGEKHMSA-N 2 1 326.485 1.125 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@H+](C)CCCCCO)cc[nH+]1 ZINC000348161517 445295029 /nfs/dbraw/zinc/29/50/29/445295029.db2.gz WTVWOCZQAJBXSD-HUUCEWRRSA-N 2 1 339.459 1.554 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)CCCCCO)cc[nH+]1 ZINC000348161517 445295032 /nfs/dbraw/zinc/29/50/32/445295032.db2.gz WTVWOCZQAJBXSD-HUUCEWRRSA-N 2 1 339.459 1.554 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000351837839 445338745 /nfs/dbraw/zinc/33/87/45/445338745.db2.gz IYJZVCAEEHQTDZ-VQHPVUNQSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C ZINC000351837839 445338747 /nfs/dbraw/zinc/33/87/47/445338747.db2.gz IYJZVCAEEHQTDZ-VQHPVUNQSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C ZINC000351837839 445338749 /nfs/dbraw/zinc/33/87/49/445338749.db2.gz IYJZVCAEEHQTDZ-VQHPVUNQSA-N 2 1 340.512 1.203 20 0 EDADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000351860936 445345795 /nfs/dbraw/zinc/34/57/95/445345795.db2.gz JPEPOVVEGWIIQB-IAGOWNOFSA-N 2 1 333.476 1.810 20 0 EDADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000351860936 445345796 /nfs/dbraw/zinc/34/57/96/445345796.db2.gz JPEPOVVEGWIIQB-IAGOWNOFSA-N 2 1 333.476 1.810 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351865441 445347520 /nfs/dbraw/zinc/34/75/20/445347520.db2.gz MVQSBPCMKDGVSM-RDJZCZTQSA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351865441 445347523 /nfs/dbraw/zinc/34/75/23/445347523.db2.gz MVQSBPCMKDGVSM-RDJZCZTQSA-N 2 1 333.476 1.897 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000351898964 445362056 /nfs/dbraw/zinc/36/20/56/445362056.db2.gz LTOWHNABTPHFJT-IAGOWNOFSA-N 2 1 342.528 1.595 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362472838 445399982 /nfs/dbraw/zinc/39/99/82/445399982.db2.gz XHFPBUADVNIPCE-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362472838 445399986 /nfs/dbraw/zinc/39/99/86/445399986.db2.gz XHFPBUADVNIPCE-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)C1 ZINC000357207376 445481441 /nfs/dbraw/zinc/48/14/41/445481441.db2.gz YQXNRKDDDXTEEW-OALUTQOASA-N 2 1 345.487 1.481 20 0 EDADMP CC(C)[C@@H](CNC(=O)CCOC1C[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000348999653 445471359 /nfs/dbraw/zinc/47/13/59/445471359.db2.gz MMSDYHGSOJZLKZ-LJQANCHMSA-N 2 1 345.487 1.564 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362807068 445558400 /nfs/dbraw/zinc/55/84/00/445558400.db2.gz FSZFOIYFAOBKAQ-IRXDYDNUSA-N 2 1 345.491 1.802 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362807066 445558685 /nfs/dbraw/zinc/55/86/85/445558685.db2.gz FSZFOIYFAOBKAQ-DLBZAZTESA-N 2 1 345.491 1.802 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000362870508 445589565 /nfs/dbraw/zinc/58/95/65/445589565.db2.gz DPGWEVLDJLGUKX-MOPGFXCFSA-N 2 1 343.471 1.875 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000356038726 445583309 /nfs/dbraw/zinc/58/33/09/445583309.db2.gz HXHFJOILDAHESU-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000356038726 445583314 /nfs/dbraw/zinc/58/33/14/445583314.db2.gz HXHFJOILDAHESU-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000356038726 445583319 /nfs/dbraw/zinc/58/33/19/445583319.db2.gz HXHFJOILDAHESU-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000356038726 445583324 /nfs/dbraw/zinc/58/33/24/445583324.db2.gz HXHFJOILDAHESU-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@H]1CCC[NH+](Cc2cccnc2)C1)C1CC1 ZINC000362774103 445543847 /nfs/dbraw/zinc/54/38/47/445543847.db2.gz IDXPOIKAACYTRZ-QGZVFWFLSA-N 2 1 345.491 1.687 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)C1CC1 ZINC000362774103 445543852 /nfs/dbraw/zinc/54/38/52/445543852.db2.gz IDXPOIKAACYTRZ-QGZVFWFLSA-N 2 1 345.491 1.687 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CC1 ZINC000362774103 445543856 /nfs/dbraw/zinc/54/38/56/445543856.db2.gz IDXPOIKAACYTRZ-QGZVFWFLSA-N 2 1 345.491 1.687 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000360166173 445606655 /nfs/dbraw/zinc/60/66/55/445606655.db2.gz XGBJWOULOVZZMR-UHFFFAOYSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000358141665 445606964 /nfs/dbraw/zinc/60/69/64/445606964.db2.gz PXIVCHWXTRBDHV-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000358141665 445606969 /nfs/dbraw/zinc/60/69/69/445606969.db2.gz PXIVCHWXTRBDHV-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP COC(=O)[C@](C)(O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000353503657 445632840 /nfs/dbraw/zinc/63/28/40/445632840.db2.gz SKACQHDKKJAHBI-VDZJLULYSA-N 2 1 334.460 1.895 20 0 EDADMP COC(=O)[C@](C)(O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000353503657 445632845 /nfs/dbraw/zinc/63/28/45/445632845.db2.gz SKACQHDKKJAHBI-VDZJLULYSA-N 2 1 334.460 1.895 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000353503657 445632848 /nfs/dbraw/zinc/63/28/48/445632848.db2.gz SKACQHDKKJAHBI-VDZJLULYSA-N 2 1 334.460 1.895 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000353503657 445632851 /nfs/dbraw/zinc/63/28/51/445632851.db2.gz SKACQHDKKJAHBI-VDZJLULYSA-N 2 1 334.460 1.895 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000353506531 445633694 /nfs/dbraw/zinc/63/36/94/445633694.db2.gz LIXMMYYCXDZPBR-QGZVFWFLSA-N 2 1 340.512 1.472 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)N[C@H](C)CC[NH+](C)C)C2)nc(C)[nH+]1 ZINC000363013226 445649658 /nfs/dbraw/zinc/64/96/58/445649658.db2.gz GFWBKMLAJXFRRD-CZUORRHYSA-N 2 1 348.495 1.702 20 0 EDADMP CC[NH+](CC)CCCCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000363207377 445721238 /nfs/dbraw/zinc/72/12/38/445721238.db2.gz CLIPOLDCINBSKC-UHFFFAOYSA-N 2 1 349.523 1.870 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)nc(C)[nH+]1 ZINC000360958789 445741009 /nfs/dbraw/zinc/74/10/09/445741009.db2.gz DDYBEZDGSWEBDZ-DOTOQJQBSA-N 2 1 333.480 1.765 20 0 EDADMP CN1CC[NH+](C2(C(=O)NC3CC[NH+](C4CC4)CC3)CCCC2)CC1 ZINC000363297101 445755612 /nfs/dbraw/zinc/75/56/12/445755612.db2.gz KIHZUVODIYVATC-UHFFFAOYSA-N 2 1 334.508 1.290 20 0 EDADMP C[NH+]1CCN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000350054000 445759295 /nfs/dbraw/zinc/75/92/95/445759295.db2.gz WVUBNZOVEHNRBZ-UHFFFAOYSA-N 2 1 346.475 1.618 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCn3ccnc3)CC2)C[C@H](C)O1 ZINC000358870009 445822531 /nfs/dbraw/zinc/82/25/31/445822531.db2.gz GTXXUSPVRRRZCQ-CALCHBBNSA-N 2 1 336.480 1.473 20 0 EDADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCn3ccnc3)CC2)C[C@H](C)O1 ZINC000358870009 445822533 /nfs/dbraw/zinc/82/25/33/445822533.db2.gz GTXXUSPVRRRZCQ-CALCHBBNSA-N 2 1 336.480 1.473 20 0 EDADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361507320 445793807 /nfs/dbraw/zinc/79/38/07/445793807.db2.gz DHSGQZXFCWJDFA-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361507320 445793808 /nfs/dbraw/zinc/79/38/08/445793808.db2.gz DHSGQZXFCWJDFA-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000350255778 445801230 /nfs/dbraw/zinc/80/12/30/445801230.db2.gz UGAGDPJXKHXQEX-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000350255778 445801232 /nfs/dbraw/zinc/80/12/32/445801232.db2.gz UGAGDPJXKHXQEX-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3)C2)CC1 ZINC000363455446 445811590 /nfs/dbraw/zinc/81/15/90/445811590.db2.gz DDYXGHTYXQGYCT-MOPGFXCFSA-N 2 1 347.503 1.386 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)C3CC3)CC2)cs1 ZINC000363499909 445834183 /nfs/dbraw/zinc/83/41/83/445834183.db2.gz QANHNAISZKYQNC-UHFFFAOYSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NCC[N@H+](C)C3CC3)CC2)cs1 ZINC000363499909 445834189 /nfs/dbraw/zinc/83/41/89/445834189.db2.gz QANHNAISZKYQNC-UHFFFAOYSA-N 2 1 336.505 1.874 20 0 EDADMP C[C@H](NC(=O)c1ccnc(C[NH3+])c1)C1([NH+]2CCOCC2)CCCC1 ZINC000361624468 445853463 /nfs/dbraw/zinc/85/34/63/445853463.db2.gz ZAYYGESRDGBCKM-AWEZNQCLSA-N 2 1 332.448 1.304 20 0 EDADMP Cc1cc(N2CC[C@H](N3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)C2=O)n(C)n1 ZINC000363577798 445859388 /nfs/dbraw/zinc/85/93/88/445859388.db2.gz SZNIHQCCCCCFBG-QAETUUGQSA-N 2 1 343.475 1.250 20 0 EDADMP Cc1cc(N2CC[C@H]([N@H+]3C[C@H]4[C@@H](C[NH+]5CCCC[C@@H]45)C3)C2=O)n(C)n1 ZINC000363577798 445859390 /nfs/dbraw/zinc/85/93/90/445859390.db2.gz SZNIHQCCCCCFBG-QAETUUGQSA-N 2 1 343.475 1.250 20 0 EDADMP Cc1cc(N2CC[C@H]([N@@H+]3C[C@H]4[C@@H](C[NH+]5CCCC[C@@H]45)C3)C2=O)n(C)n1 ZINC000363577798 445859392 /nfs/dbraw/zinc/85/93/92/445859392.db2.gz SZNIHQCCCCCFBG-QAETUUGQSA-N 2 1 343.475 1.250 20 0 EDADMP Cc1cc(N2CC[C@H]([NH+]3C[C@H]4[C@H](C3)C[N@@H+]3CCCC[C@@H]43)C2=O)n(C)n1 ZINC000363577798 445859395 /nfs/dbraw/zinc/85/93/95/445859395.db2.gz SZNIHQCCCCCFBG-QAETUUGQSA-N 2 1 343.475 1.250 20 0 EDADMP Cc1cc(N2CC[C@H]([NH+]3C[C@H]4[C@H](C3)C[N@H+]3CCCC[C@@H]43)C2=O)n(C)n1 ZINC000363577798 445859398 /nfs/dbraw/zinc/85/93/98/445859398.db2.gz SZNIHQCCCCCFBG-QAETUUGQSA-N 2 1 343.475 1.250 20 0 EDADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000354087358 445894238 /nfs/dbraw/zinc/89/42/38/445894238.db2.gz ZQEVVQGYQWCYCL-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP CCOC(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364215371 445901160 /nfs/dbraw/zinc/90/11/60/445901160.db2.gz PGPZPLTXKRBPKL-INIZCTEOSA-N 2 1 340.512 1.611 20 0 EDADMP CCOC(C)(C)CNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364215371 445901163 /nfs/dbraw/zinc/90/11/63/445901163.db2.gz PGPZPLTXKRBPKL-INIZCTEOSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H]3CC[NH+](C)[C@@H]3C2)CCCO1 ZINC000372965929 445949031 /nfs/dbraw/zinc/94/90/31/445949031.db2.gz FDVBHQJXWONJLF-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@@H](C)[NH+]1CCO ZINC000365106631 446028383 /nfs/dbraw/zinc/02/83/83/446028383.db2.gz DVDHZKURCFXWLP-BZUAXINKSA-N 2 1 338.496 1.100 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@@H]2CCCN(c3cc(C)nc(C)n3)C2)CC1 ZINC000369267427 446032260 /nfs/dbraw/zinc/03/22/60/446032260.db2.gz DADWAGJHXDWUMD-MRXNPFEDSA-N 2 1 346.479 1.409 20 0 EDADMP [NH3+][C@H]1CCCC[C@H]1CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000583633668 326108852 /nfs/dbraw/zinc/10/88/52/326108852.db2.gz QWZGBNMABYENIO-HKUYNNGSSA-N 2 1 344.503 1.832 20 0 EDADMP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351487295 446087771 /nfs/dbraw/zinc/08/77/71/446087771.db2.gz CEVMJROCGBDRIO-UAGQMJEPSA-N 2 1 329.444 1.644 20 0 EDADMP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351487295 446087780 /nfs/dbraw/zinc/08/77/80/446087780.db2.gz CEVMJROCGBDRIO-UAGQMJEPSA-N 2 1 329.444 1.644 20 0 EDADMP CCn1ccnc1CN1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365245755 446098536 /nfs/dbraw/zinc/09/85/36/446098536.db2.gz WXLPOXQQCYVROU-INIZCTEOSA-N 2 1 346.475 1.897 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000359346619 446165282 /nfs/dbraw/zinc/16/52/82/446165282.db2.gz CLCXLASNQAESRV-WBVHZDCISA-N 2 1 334.439 1.964 20 0 EDADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC[N@H+](C)CCOC ZINC000370183928 446188452 /nfs/dbraw/zinc/18/84/52/446188452.db2.gz KOULBVDQRUMPRO-HNNXBMFYSA-N 2 1 337.468 1.198 20 0 EDADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC[N@@H+](C)CCOC ZINC000370183928 446188456 /nfs/dbraw/zinc/18/84/56/446188456.db2.gz KOULBVDQRUMPRO-HNNXBMFYSA-N 2 1 337.468 1.198 20 0 EDADMP c1nc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc(N2CCOCC2)n1 ZINC000365470611 446222707 /nfs/dbraw/zinc/22/27/07/446222707.db2.gz ITBOZAYCNCAMLZ-ARFHVFGLSA-N 2 1 329.448 1.234 20 0 EDADMP C[NH+](C)[C@@]1(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)CCCSC1 ZINC000362117644 446223190 /nfs/dbraw/zinc/22/31/90/446223190.db2.gz KAUDPTPTWDIWPI-RDJZCZTQSA-N 2 1 343.537 1.167 20 0 EDADMP COc1ccc(CNC(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000365544515 446248486 /nfs/dbraw/zinc/24/84/86/446248486.db2.gz GEBGFSPFVOWOHQ-BHIYHBOVSA-N 2 1 343.471 1.728 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCN2Cc2ccccn2)CC[N@H+]1C ZINC000365765786 446334373 /nfs/dbraw/zinc/33/43/73/446334373.db2.gz FPCMBZDUAZDKIJ-KBAYOESNSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC[N@@H+]1C ZINC000365765786 446334376 /nfs/dbraw/zinc/33/43/76/446334376.db2.gz FPCMBZDUAZDKIJ-KBAYOESNSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC[N@H+]1C ZINC000365765786 446334381 /nfs/dbraw/zinc/33/43/81/446334381.db2.gz FPCMBZDUAZDKIJ-KBAYOESNSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC[NH+]1C ZINC000365765786 446334385 /nfs/dbraw/zinc/33/43/85/446334385.db2.gz FPCMBZDUAZDKIJ-KBAYOESNSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC[NH+]1C ZINC000365765786 446334387 /nfs/dbraw/zinc/33/43/87/446334387.db2.gz FPCMBZDUAZDKIJ-KBAYOESNSA-N 2 1 330.476 1.987 20 0 EDADMP CC(C)N1CCO[C@@H](C(=O)NCc2ccc(N3CCCCC3)nc2)C1 ZINC000370606557 446354605 /nfs/dbraw/zinc/35/46/05/446354605.db2.gz MSBDWHZQGQDYRS-QGZVFWFLSA-N 2 1 346.475 1.797 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000417511333 446358642 /nfs/dbraw/zinc/35/86/42/446358642.db2.gz YSMNGLXESQSGEV-ZWKOTPCHSA-N 2 1 330.476 1.554 20 0 EDADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCN1C(=O)NC(C)(C)C1=O)CC2)C1CC1 ZINC000374299520 446361027 /nfs/dbraw/zinc/36/10/27/446361027.db2.gz YIWMYWZMLPLYND-AWEZNQCLSA-N 2 1 348.491 1.513 20 0 EDADMP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370676290 446382310 /nfs/dbraw/zinc/38/23/10/446382310.db2.gz IXQXWFIWVWGSIB-BSDSXHPESA-N 2 1 328.497 1.499 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000365877340 446383633 /nfs/dbraw/zinc/38/36/33/446383633.db2.gz KSKQPTKLGKPXGB-CVEARBPZSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000365877340 446383639 /nfs/dbraw/zinc/38/36/39/446383639.db2.gz KSKQPTKLGKPXGB-CVEARBPZSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000365877340 446383642 /nfs/dbraw/zinc/38/36/42/446383642.db2.gz KSKQPTKLGKPXGB-CVEARBPZSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000370692750 446389049 /nfs/dbraw/zinc/38/90/49/446389049.db2.gz ZPLVZSCINCLYDP-QGZVFWFLSA-N 2 1 338.540 1.638 20 0 EDADMP C[C@H]1C[N@H+](Cc2cnn3ccccc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370700303 446392859 /nfs/dbraw/zinc/39/28/59/446392859.db2.gz SCJMABVBBZJJOI-WMZOPIPTSA-N 2 1 327.476 1.792 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cnn3ccccc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370700303 446392860 /nfs/dbraw/zinc/39/28/60/446392860.db2.gz SCJMABVBBZJJOI-WMZOPIPTSA-N 2 1 327.476 1.792 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CC[C@](C)(C[NH3+])C2)n1 ZINC000420249770 446432150 /nfs/dbraw/zinc/43/21/50/446432150.db2.gz YXEOLDNUJUXGJO-QILLFSRXSA-N 2 1 333.480 2.267 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)CCC(F)(F)F ZINC000418075510 446432827 /nfs/dbraw/zinc/43/28/27/446432827.db2.gz HBQLXEZDOKDIGJ-QWHCGFSZSA-N 2 1 336.402 1.512 20 0 EDADMP CC(C)(C[NH3+])NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418081898 446435567 /nfs/dbraw/zinc/43/55/67/446435567.db2.gz WDDFTECNLOYTJI-HNNXBMFYSA-N 2 1 336.505 1.641 20 0 EDADMP CC(C)(C[NH3+])NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418081898 446435577 /nfs/dbraw/zinc/43/55/77/446435577.db2.gz WDDFTECNLOYTJI-HNNXBMFYSA-N 2 1 336.505 1.641 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418100225 446440855 /nfs/dbraw/zinc/44/08/55/446440855.db2.gz DFMXTPDFVSYRNT-FHWLQOOXSA-N 2 1 342.487 1.759 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])[C@@H]1c1ccccc1 ZINC000418184344 446451379 /nfs/dbraw/zinc/45/13/79/446451379.db2.gz PTWKJWWNECQWKZ-SZMVWBNQSA-N 2 1 348.491 1.875 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])[C@@H]1c1ccccc1 ZINC000418184344 446451380 /nfs/dbraw/zinc/45/13/80/446451380.db2.gz PTWKJWWNECQWKZ-SZMVWBNQSA-N 2 1 348.491 1.875 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417985503 446408181 /nfs/dbraw/zinc/40/81/81/446408181.db2.gz FKVMWLSSBFTDCU-LUKYLMHMSA-N 2 1 334.508 1.890 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCNC[C@](C)(F)C1 ZINC000417989962 446408815 /nfs/dbraw/zinc/40/88/15/446408815.db2.gz UEKGRWZLUXMDCY-QAPCUYQASA-N 2 1 336.455 1.850 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000417989962 446408824 /nfs/dbraw/zinc/40/88/24/446408824.db2.gz UEKGRWZLUXMDCY-QAPCUYQASA-N 2 1 336.455 1.850 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417988122 446409090 /nfs/dbraw/zinc/40/90/90/446409090.db2.gz RNXHUBPHFTYVHD-APWZRJJASA-N 2 1 330.476 1.902 20 0 EDADMP [NH3+]C[C@H]1CCCCN1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000417995592 446410515 /nfs/dbraw/zinc/41/05/15/446410515.db2.gz QGLHJLFSRYTXRV-QZTJIDSGSA-N 2 1 346.475 1.276 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000418005202 446412817 /nfs/dbraw/zinc/41/28/17/446412817.db2.gz DEYGSNGUMZUTDP-SUMDDJOVSA-N 2 1 348.466 1.850 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000418005202 446412820 /nfs/dbraw/zinc/41/28/20/446412820.db2.gz DEYGSNGUMZUTDP-SUMDDJOVSA-N 2 1 348.466 1.850 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC000418008253 446413895 /nfs/dbraw/zinc/41/38/95/446413895.db2.gz GYROPKRAIFREKQ-OCCSQVGLSA-N 2 1 326.391 1.400 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC000418008253 446413898 /nfs/dbraw/zinc/41/38/98/446413898.db2.gz GYROPKRAIFREKQ-OCCSQVGLSA-N 2 1 326.391 1.400 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000418012437 446415577 /nfs/dbraw/zinc/41/55/77/446415577.db2.gz LXTLCYQYBDOOGD-CWLKWCNXSA-N 2 1 330.476 1.886 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000418029877 446419785 /nfs/dbraw/zinc/41/97/85/446419785.db2.gz IVFOSMLTMORRAH-BZSNNMDCSA-N 2 1 348.491 1.023 20 0 EDADMP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370763991 446423569 /nfs/dbraw/zinc/42/35/69/446423569.db2.gz SOKPXSSLFDHJPP-QUCCMNQESA-N 2 1 343.471 1.490 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000376372816 446459834 /nfs/dbraw/zinc/45/98/34/446459834.db2.gz BOMXJZCDLCJRDL-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP COc1ccc([C@@H](C[NH3+])CN2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000420309677 446471571 /nfs/dbraw/zinc/47/15/71/446471571.db2.gz FALDSEMPWLKSEI-OALUTQOASA-N 2 1 347.503 1.924 20 0 EDADMP CC[C@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000370844660 446476600 /nfs/dbraw/zinc/47/66/00/446476600.db2.gz DJENMTWXINBHLV-LPHOPBHVSA-N 2 1 344.459 1.465 20 0 EDADMP CC[C@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000370844660 446476608 /nfs/dbraw/zinc/47/66/08/446476608.db2.gz DJENMTWXINBHLV-LPHOPBHVSA-N 2 1 344.459 1.465 20 0 EDADMP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(C)n1 ZINC000411358912 446504745 /nfs/dbraw/zinc/50/47/45/446504745.db2.gz QKDNPQFUELTMJS-CABCVRRESA-N 2 1 330.432 1.498 20 0 EDADMP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c(C)n1 ZINC000411358912 446504748 /nfs/dbraw/zinc/50/47/48/446504748.db2.gz QKDNPQFUELTMJS-CABCVRRESA-N 2 1 330.432 1.498 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420345490 446516233 /nfs/dbraw/zinc/51/62/33/446516233.db2.gz VOSMAAPEQREOLE-OKILXGFUSA-N 2 1 346.431 1.275 20 0 EDADMP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420337899 446507424 /nfs/dbraw/zinc/50/74/24/446507424.db2.gz XIYWVPBCVVELSX-CABCVRRESA-N 2 1 347.459 1.922 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)COC2CC[NH2+]CC2)cc1F ZINC000423373131 446507444 /nfs/dbraw/zinc/50/74/44/446507444.db2.gz WIGRZGREQZFNHO-UHFFFAOYSA-N 2 1 346.406 1.705 20 0 EDADMP C[C@H](NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418342734 446508492 /nfs/dbraw/zinc/50/84/92/446508492.db2.gz NESPMRNSNJWLJG-QXAKKESOSA-N 2 1 344.503 1.943 20 0 EDADMP C[C@H](NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418342734 446508498 /nfs/dbraw/zinc/50/84/98/446508498.db2.gz NESPMRNSNJWLJG-QXAKKESOSA-N 2 1 344.503 1.943 20 0 EDADMP Cn1cc(C(=O)NCC[N@@H+](C)C2CCCC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000423382941 446509879 /nfs/dbraw/zinc/50/98/79/446509879.db2.gz OWQIURBTSUSNGQ-CQSZACIVSA-N 2 1 333.480 1.491 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418356350 446511857 /nfs/dbraw/zinc/51/18/57/446511857.db2.gz GOODKTNVPDNMPA-KRWDZBQOSA-N 2 1 340.512 1.646 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423341512 446496955 /nfs/dbraw/zinc/49/69/55/446496955.db2.gz XZEPAKYNSBTWCC-GJZGRUSLSA-N 2 1 333.480 1.301 20 0 EDADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCCOC1CCCCC1 ZINC000420329092 446496912 /nfs/dbraw/zinc/49/69/12/446496912.db2.gz GDYKATIWNPZKPF-CALCHBBNSA-N 2 1 337.508 1.773 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329045 446497182 /nfs/dbraw/zinc/49/71/82/446497182.db2.gz FZDXQGDBBNNPJP-HRCADAONSA-N 2 1 331.460 1.804 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH2+]Cc2cccnc2)[C@@H](C)C1 ZINC000418323993 446498648 /nfs/dbraw/zinc/49/86/48/446498648.db2.gz GKJZYMMMSQVYCG-WMZOPIPTSA-N 2 1 347.507 1.933 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000420384160 446558351 /nfs/dbraw/zinc/55/83/51/446558351.db2.gz DAXVZWQVURGBLC-UWWQBHOKSA-N 2 1 348.466 1.105 20 0 EDADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)[C@@H]1C ZINC000423517303 446559990 /nfs/dbraw/zinc/55/99/90/446559990.db2.gz XVKSGYBLEJHOQD-YFVGIKETSA-N 2 1 337.508 1.770 20 0 EDADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C(C)C ZINC000420388235 446562399 /nfs/dbraw/zinc/56/23/99/446562399.db2.gz XAJAVTBTPQOUHW-GDBMZVCRSA-N 2 1 336.484 1.408 20 0 EDADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C(C)C ZINC000420388559 446563064 /nfs/dbraw/zinc/56/30/64/446563064.db2.gz XAJAVTBTPQOUHW-HOCLYGCPSA-N 2 1 336.484 1.408 20 0 EDADMP Cc1ccc2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc(=O)n2c1 ZINC000420390135 446565856 /nfs/dbraw/zinc/56/58/56/446565856.db2.gz HVFJMVCSBOZQPJ-RDJZCZTQSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1ccc2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc(=O)n2c1 ZINC000420390135 446565862 /nfs/dbraw/zinc/56/58/62/446565862.db2.gz HVFJMVCSBOZQPJ-RDJZCZTQSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)n2c1 ZINC000420346086 446519419 /nfs/dbraw/zinc/51/94/19/446519419.db2.gz XJYNSEFNMCLGIN-CVEARBPZSA-N 2 1 326.444 1.824 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3Cc3ccc(F)cc3)C[C@@H]21 ZINC000452968815 446520403 /nfs/dbraw/zinc/52/04/03/446520403.db2.gz BWWAUWQOBRZXLW-NXHRZFHOSA-N 2 1 331.435 1.953 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3Cc3ccc(F)cc3)C[C@@H]21 ZINC000452968815 446520407 /nfs/dbraw/zinc/52/04/07/446520407.db2.gz BWWAUWQOBRZXLW-NXHRZFHOSA-N 2 1 331.435 1.953 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)C[C@@H]21 ZINC000452968815 446520413 /nfs/dbraw/zinc/52/04/13/446520413.db2.gz BWWAUWQOBRZXLW-NXHRZFHOSA-N 2 1 331.435 1.953 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)C[C@@H]21 ZINC000452968815 446520415 /nfs/dbraw/zinc/52/04/15/446520415.db2.gz BWWAUWQOBRZXLW-NXHRZFHOSA-N 2 1 331.435 1.953 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423409807 446522130 /nfs/dbraw/zinc/52/21/30/446522130.db2.gz CGSKCHGTPXDSOK-DJIMGWMZSA-N 2 1 331.464 1.506 20 0 EDADMP Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)c1C ZINC000420347455 446522918 /nfs/dbraw/zinc/52/29/18/446522918.db2.gz GSANKLBNSGOZCV-OAHLLOKOSA-N 2 1 336.505 1.591 20 0 EDADMP Cc1sc(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)c1C ZINC000420347455 446522921 /nfs/dbraw/zinc/52/29/21/446522921.db2.gz GSANKLBNSGOZCV-OAHLLOKOSA-N 2 1 336.505 1.591 20 0 EDADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347787 446523849 /nfs/dbraw/zinc/52/38/49/446523849.db2.gz ILWDTQNOHAYPFZ-OALUTQOASA-N 2 1 344.503 1.576 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423417021 446524640 /nfs/dbraw/zinc/52/46/40/446524640.db2.gz GGFNPXBWCSRLPQ-LTFPLMDUSA-N 2 1 329.488 1.600 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423417022 446524864 /nfs/dbraw/zinc/52/48/64/446524864.db2.gz GGFNPXBWCSRLPQ-UJMXGEILSA-N 2 1 329.488 1.600 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418391574 446526096 /nfs/dbraw/zinc/52/60/96/446526096.db2.gz CCCBFGJTRKUPRU-MAUKXSAKSA-N 2 1 330.476 1.887 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@@H](C)[NH3+] ZINC000423418856 446527167 /nfs/dbraw/zinc/52/71/67/446527167.db2.gz IGUJOBUOBVLJLF-JFIYKMOQSA-N 2 1 347.507 1.328 20 0 EDADMP c1cc(OCCC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc2c1OCO2 ZINC000420350572 446528249 /nfs/dbraw/zinc/52/82/49/446528249.db2.gz UANVIBRZTYHUPP-OAHLLOKOSA-N 2 1 333.432 1.164 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423423613 446529670 /nfs/dbraw/zinc/52/96/70/446529670.db2.gz ZWXQZRQJRMQFSI-CVEARBPZSA-N 2 1 345.491 1.871 20 0 EDADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000420350753 446530263 /nfs/dbraw/zinc/53/02/63/446530263.db2.gz USVJCUFMDBWMGE-AZRLCKCBSA-N 2 1 346.519 1.051 20 0 EDADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000420350753 446530267 /nfs/dbraw/zinc/53/02/67/446530267.db2.gz USVJCUFMDBWMGE-AZRLCKCBSA-N 2 1 346.519 1.051 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000420352548 446531937 /nfs/dbraw/zinc/53/19/37/446531937.db2.gz APNXOKWMGVBULP-KRWDZBQOSA-N 2 1 341.459 1.466 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H]([NH3+])C(C)C)CC2)cn1 ZINC000418404762 446533167 /nfs/dbraw/zinc/53/31/67/446533167.db2.gz KUQLZKDSKSLTQB-MRXNPFEDSA-N 2 1 336.484 1.104 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H]([NH3+])C(C)C)CC2)cn1 ZINC000418404762 446533172 /nfs/dbraw/zinc/53/31/72/446533172.db2.gz KUQLZKDSKSLTQB-MRXNPFEDSA-N 2 1 336.484 1.104 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433163521 446540233 /nfs/dbraw/zinc/54/02/33/446540233.db2.gz PBSBDYNANZKAJJ-LJQANCHMSA-N 2 1 346.519 1.479 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC3(CCC[N@H+]3C)CC2)CC1 ZINC000411442416 446546149 /nfs/dbraw/zinc/54/61/49/446546149.db2.gz KOPBAJSZKHFJFJ-UHFFFAOYSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000418450087 446547280 /nfs/dbraw/zinc/54/72/80/446547280.db2.gz UMNPPOCSQBTQIH-HUUCEWRRSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)cc1 ZINC000418462150 446552188 /nfs/dbraw/zinc/55/21/88/446552188.db2.gz MYXVRWILGNIJEK-CKEIUWERSA-N 2 1 334.464 1.303 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)[C@@H](C)C1 ZINC000453252237 446552782 /nfs/dbraw/zinc/55/27/82/446552782.db2.gz BWOXOVHZCLCKLH-OTWHNJEPSA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH+](CCCO)C2)[C@@H](C)C1 ZINC000453252237 446552787 /nfs/dbraw/zinc/55/27/87/446552787.db2.gz BWOXOVHZCLCKLH-OTWHNJEPSA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](CCCO)C2)[C@@H](C)C1 ZINC000453252237 446552790 /nfs/dbraw/zinc/55/27/90/446552790.db2.gz BWOXOVHZCLCKLH-OTWHNJEPSA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CCC[N@H+](CCCO)C2)[C@@H](C)C1 ZINC000453252237 446552792 /nfs/dbraw/zinc/55/27/92/446552792.db2.gz BWOXOVHZCLCKLH-OTWHNJEPSA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](CCCO)C2)[C@@H](C)C1 ZINC000453252237 446552795 /nfs/dbraw/zinc/55/27/95/446552795.db2.gz BWOXOVHZCLCKLH-OTWHNJEPSA-N 2 1 341.540 1.560 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000418472813 446556504 /nfs/dbraw/zinc/55/65/04/446556504.db2.gz XBSXTMVNJREZCZ-PBHICJAKSA-N 2 1 334.464 1.352 20 0 EDADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000433334856 446556802 /nfs/dbraw/zinc/55/68/02/446556802.db2.gz NAJLZOHOJFGDNZ-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CC[NH+](C)C2CC2)CCCO1 ZINC000433449181 446574609 /nfs/dbraw/zinc/57/46/09/446574609.db2.gz ZBGPPYGXNVERIW-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)CC[N@H+](C)C2CC2)CCCO1 ZINC000433449181 446574616 /nfs/dbraw/zinc/57/46/16/446574616.db2.gz ZBGPPYGXNVERIW-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)CC[N@@H+](C)C2CC2)CCCO1 ZINC000433449181 446574625 /nfs/dbraw/zinc/57/46/25/446574625.db2.gz ZBGPPYGXNVERIW-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000433465000 446577480 /nfs/dbraw/zinc/57/74/80/446577480.db2.gz FGDTVOXWZHHOJG-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000433465000 446577485 /nfs/dbraw/zinc/57/74/85/446577485.db2.gz FGDTVOXWZHHOJG-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000433465000 446577492 /nfs/dbraw/zinc/57/74/92/446577492.db2.gz FGDTVOXWZHHOJG-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)C[C@H]1Cc1ccccc1 ZINC000418519593 446578050 /nfs/dbraw/zinc/57/80/50/446578050.db2.gz OEUJSTRECRPMDW-GOSISDBHSA-N 2 1 344.503 1.944 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)C[C@H]1Cc1ccccc1 ZINC000418519593 446578057 /nfs/dbraw/zinc/57/80/57/446578057.db2.gz OEUJSTRECRPMDW-GOSISDBHSA-N 2 1 344.503 1.944 20 0 EDADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420406739 446580710 /nfs/dbraw/zinc/58/07/10/446580710.db2.gz RXXHPJYBKZUHGU-LBPRGKRZSA-N 2 1 325.840 1.761 20 0 EDADMP C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000418529257 446582265 /nfs/dbraw/zinc/58/22/65/446582265.db2.gz SYMOGHXICUUSAF-PVAVHDDUSA-N 2 1 339.528 1.312 20 0 EDADMP CN(C(=O)NC[C@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418530976 446583160 /nfs/dbraw/zinc/58/31/60/446583160.db2.gz VVMLDURHFWNCLU-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)O[C@]3(CCO[C@@H]3C)C2)CC1 ZINC000376610916 446603952 /nfs/dbraw/zinc/60/39/52/446603952.db2.gz OOHNWSUUXNIYKA-GUDVDZBRSA-N 2 1 339.524 1.671 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1CC ZINC000418592657 446606523 /nfs/dbraw/zinc/60/65/23/446606523.db2.gz DGWXQPKLEDLTIV-BZUAXINKSA-N 2 1 326.485 1.269 20 0 EDADMP Cc1[nH+]c(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c2n1CCCC2 ZINC000367900069 446606807 /nfs/dbraw/zinc/60/68/07/446606807.db2.gz DYVSVPWRHKYAEQ-PBHICJAKSA-N 2 1 331.464 1.763 20 0 EDADMP Cc1[nH+]c(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c2n1CCCC2 ZINC000367900069 446606814 /nfs/dbraw/zinc/60/68/14/446606814.db2.gz DYVSVPWRHKYAEQ-PBHICJAKSA-N 2 1 331.464 1.763 20 0 EDADMP C[N@@H+]1CC[C@@H]2CCN(C[C@H](O)COCc3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000375245288 446666303 /nfs/dbraw/zinc/66/63/03/446666303.db2.gz QGKBXZMPPSLLGE-IXDOHACOSA-N 2 1 348.443 1.319 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C[C@H](O)COCc3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000375245288 446666314 /nfs/dbraw/zinc/66/63/14/446666314.db2.gz QGKBXZMPPSLLGE-IXDOHACOSA-N 2 1 348.443 1.319 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@H]3CCCOC3)CC2)CC1 ZINC000371093098 446624436 /nfs/dbraw/zinc/62/44/36/446624436.db2.gz ITELBZHDZPLIDK-KRWDZBQOSA-N 2 1 337.508 1.726 20 0 EDADMP O=C(NCCC1=CC[NH2+]CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000418638333 446628213 /nfs/dbraw/zinc/62/82/13/446628213.db2.gz KNJVECVKCWPUQV-WMZOPIPTSA-N 2 1 332.492 1.955 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418756524 446675818 /nfs/dbraw/zinc/67/58/18/446675818.db2.gz CRLZNOMQJOBVBU-CABCVRRESA-N 2 1 326.485 1.114 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000418768163 446686458 /nfs/dbraw/zinc/68/64/58/446686458.db2.gz QWGQFSIBROHQNU-HNNXBMFYSA-N 2 1 338.402 1.509 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000418769265 446688650 /nfs/dbraw/zinc/68/86/50/446688650.db2.gz TUUYEOPRZFQBAB-QGZVFWFLSA-N 2 1 339.528 1.044 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000423762642 446690887 /nfs/dbraw/zinc/69/08/87/446690887.db2.gz SWMNZSBWIIGZIU-SFHVURJKSA-N 2 1 347.507 1.860 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000423762642 446690898 /nfs/dbraw/zinc/69/08/98/446690898.db2.gz SWMNZSBWIIGZIU-SFHVURJKSA-N 2 1 347.507 1.860 20 0 EDADMP Cn1cc[nH+]c1CC1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418773682 446693065 /nfs/dbraw/zinc/69/30/65/446693065.db2.gz QSUYWDZRAOHHDC-INIZCTEOSA-N 2 1 333.480 1.916 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000423818502 446708834 /nfs/dbraw/zinc/70/88/34/446708834.db2.gz DOZKFGCPKHKDEW-OALUTQOASA-N 2 1 345.487 1.863 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000423818502 446708838 /nfs/dbraw/zinc/70/88/38/446708838.db2.gz DOZKFGCPKHKDEW-OALUTQOASA-N 2 1 345.487 1.863 20 0 EDADMP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC)C2)c1 ZINC000411912385 446723395 /nfs/dbraw/zinc/72/33/95/446723395.db2.gz VPHMHEJRLBAVFD-KRWDZBQOSA-N 2 1 346.475 1.677 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000423836653 446724799 /nfs/dbraw/zinc/72/47/99/446724799.db2.gz GVMJZOXNQLKVJO-SFHVURJKSA-N 2 1 344.459 1.431 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000423887639 446744772 /nfs/dbraw/zinc/74/47/72/446744772.db2.gz YHVLUERDKSEGFM-FHLIZLRMSA-N 2 1 349.450 1.437 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCN1CCCN(c2ncccc2C(N)=O)CC1 ZINC000371322562 446773468 /nfs/dbraw/zinc/77/34/68/446773468.db2.gz ZUWQIRZRWASMBX-OAHLLOKOSA-N 2 1 331.464 1.177 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000371322562 446773477 /nfs/dbraw/zinc/77/34/77/446773477.db2.gz ZUWQIRZRWASMBX-OAHLLOKOSA-N 2 1 331.464 1.177 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000371322562 446773485 /nfs/dbraw/zinc/77/34/85/446773485.db2.gz ZUWQIRZRWASMBX-OAHLLOKOSA-N 2 1 331.464 1.177 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000371322562 446773488 /nfs/dbraw/zinc/77/34/88/446773488.db2.gz ZUWQIRZRWASMBX-OAHLLOKOSA-N 2 1 331.464 1.177 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000371322562 446773494 /nfs/dbraw/zinc/77/34/94/446773494.db2.gz ZUWQIRZRWASMBX-OAHLLOKOSA-N 2 1 331.464 1.177 20 0 EDADMP CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C1 ZINC000368314776 446781085 /nfs/dbraw/zinc/78/10/85/446781085.db2.gz FWQNDTKPCMPDOK-HNNXBMFYSA-N 2 1 333.480 1.183 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C1 ZINC000368314776 446781090 /nfs/dbraw/zinc/78/10/90/446781090.db2.gz FWQNDTKPCMPDOK-HNNXBMFYSA-N 2 1 333.480 1.183 20 0 EDADMP CC[NH+]1CC[C@@H](CNC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C1 ZINC000368314776 446781093 /nfs/dbraw/zinc/78/10/93/446781093.db2.gz FWQNDTKPCMPDOK-HNNXBMFYSA-N 2 1 333.480 1.183 20 0 EDADMP CC[NH+]1CC[C@@H](CNC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C1 ZINC000368314776 446781096 /nfs/dbraw/zinc/78/10/96/446781096.db2.gz FWQNDTKPCMPDOK-HNNXBMFYSA-N 2 1 333.480 1.183 20 0 EDADMP C[C@H](c1cccnc1)N1C(=O)C[C@@H](N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000368323357 446786244 /nfs/dbraw/zinc/78/62/44/446786244.db2.gz YRMJVWNPEUBSHS-IDHHARJASA-N 2 1 342.443 1.298 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000423934871 446786861 /nfs/dbraw/zinc/78/68/61/446786861.db2.gz XCSFWFQKCJIDAN-NXNVCVFFSA-N 2 1 335.496 1.635 20 0 EDADMP Cc1nc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)no1 ZINC000371347656 446794535 /nfs/dbraw/zinc/79/45/35/446794535.db2.gz MSEJPLSXPXVQLW-UHFFFAOYSA-N 2 1 335.452 1.304 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000420791389 446823775 /nfs/dbraw/zinc/82/37/75/446823775.db2.gz ONTMOHDFGUPXHA-HNNXBMFYSA-N 2 1 340.512 1.611 20 0 EDADMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000376973413 446832996 /nfs/dbraw/zinc/83/29/96/446832996.db2.gz VTUZHHLWGXFDSE-HOCLYGCPSA-N 2 1 330.407 1.613 20 0 EDADMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000376973413 446833004 /nfs/dbraw/zinc/83/30/04/446833004.db2.gz VTUZHHLWGXFDSE-HOCLYGCPSA-N 2 1 330.407 1.613 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3C[NH2+]CCO3)cc2)C[C@@H](C)O1 ZINC000423987686 446808326 /nfs/dbraw/zinc/80/83/26/446808326.db2.gz HUUVNOWEBIRNSW-IIDMSEBBSA-N 2 1 347.459 1.014 20 0 EDADMP COCc1ccc(CNC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424301713 446867127 /nfs/dbraw/zinc/86/71/27/446867127.db2.gz YDOBZSVKQCXWRM-INIZCTEOSA-N 2 1 345.487 1.913 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419023475 446870845 /nfs/dbraw/zinc/87/08/45/446870845.db2.gz JPDIYXWSKDDTGQ-PMPSAXMXSA-N 2 1 340.512 1.055 20 0 EDADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000424452940 446872690 /nfs/dbraw/zinc/87/26/90/446872690.db2.gz JAQCOYAZSNSNEG-QZTJIDSGSA-N 2 1 346.475 1.588 20 0 EDADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000419031568 446875909 /nfs/dbraw/zinc/87/59/09/446875909.db2.gz AACBOQZLCFSUTE-CYBMUJFWSA-N 2 1 343.431 1.036 20 0 EDADMP CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420925069 446893592 /nfs/dbraw/zinc/89/35/92/446893592.db2.gz VIRDJOXQEONZHT-RBUKOAKNSA-N 2 1 334.460 1.802 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C12CCC2 ZINC000371513593 446906604 /nfs/dbraw/zinc/90/66/04/446906604.db2.gz GKEGVIJVPBAPRS-KZNAEPCWSA-N 2 1 337.508 1.330 20 0 EDADMP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000371516985 446908455 /nfs/dbraw/zinc/90/84/55/446908455.db2.gz ZIQNBPWKDYLFPU-MKXGPGLRSA-N 2 1 349.519 1.330 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCNS(C)(=O)=O)cc1F ZINC000371547017 446925951 /nfs/dbraw/zinc/92/59/51/446925951.db2.gz QGFFHGTUEUBXOB-NSHDSACASA-N 2 1 340.424 1.520 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000442610659 446914290 /nfs/dbraw/zinc/91/42/90/446914290.db2.gz QBDUBXKYWHHWFJ-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442610659 446914293 /nfs/dbraw/zinc/91/42/93/446914293.db2.gz QBDUBXKYWHHWFJ-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442610659 446914297 /nfs/dbraw/zinc/91/42/97/446914297.db2.gz QBDUBXKYWHHWFJ-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442752578 446950911 /nfs/dbraw/zinc/95/09/11/446950911.db2.gz DVOZLHIMTZOICR-ILXRZTDVSA-N 2 1 344.459 1.810 20 0 EDADMP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442752578 446950916 /nfs/dbraw/zinc/95/09/16/446950916.db2.gz DVOZLHIMTZOICR-ILXRZTDVSA-N 2 1 344.459 1.810 20 0 EDADMP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000377207112 446992734 /nfs/dbraw/zinc/99/27/34/446992734.db2.gz LBZXCVGEYBNJIA-KBPBESRZSA-N 2 1 332.448 1.386 20 0 EDADMP C[C@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1Cc1cccc2c1OCO2 ZINC000372415995 447055692 /nfs/dbraw/zinc/05/56/92/447055692.db2.gz LZOOEQNQDSFYJJ-DOTOQJQBSA-N 2 1 347.459 1.252 20 0 EDADMP C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1cccc2c1OCO2 ZINC000372415995 447055701 /nfs/dbraw/zinc/05/57/01/447055701.db2.gz LZOOEQNQDSFYJJ-DOTOQJQBSA-N 2 1 347.459 1.252 20 0 EDADMP C[C@H](C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1)[NH+](C)Cc1ccccc1 ZINC000444393311 447101178 /nfs/dbraw/zinc/10/11/78/447101178.db2.gz QDMPZJKREVKUGS-DLBZAZTESA-N 2 1 347.503 1.811 20 0 EDADMP C[C@H](C(=O)N1CCC([NH+](C)C[C@H](C)O)CC1)[N@H+](C)Cc1ccccc1 ZINC000444393311 447101186 /nfs/dbraw/zinc/10/11/86/447101186.db2.gz QDMPZJKREVKUGS-DLBZAZTESA-N 2 1 347.503 1.811 20 0 EDADMP C[C@H](C(=O)N1CCC([NH+](C)C[C@H](C)O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000444393311 447101192 /nfs/dbraw/zinc/10/11/92/447101192.db2.gz QDMPZJKREVKUGS-DLBZAZTESA-N 2 1 347.503 1.811 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000419410118 447158451 /nfs/dbraw/zinc/15/84/51/447158451.db2.gz OFJMSZWUWPXTFW-HUUCEWRRSA-N 2 1 338.496 1.014 20 0 EDADMP C[N@@H+](C[C@H](O)COC(C)(C)C)C1CC[NH+](C2CCOCC2)CC1 ZINC000368877212 447174324 /nfs/dbraw/zinc/17/43/24/447174324.db2.gz VAVBFOLEVVKRKD-KRWDZBQOSA-N 2 1 328.497 1.738 20 0 EDADMP Cc1ccnc(NC[C@H]2CCN([C@H](C)C(=O)Nc3ncccn3)C2)c1 ZINC000377523199 447178329 /nfs/dbraw/zinc/17/83/29/447178329.db2.gz FAQNUVPRUTUHMS-HUUCEWRRSA-N 2 1 340.431 1.941 20 0 EDADMP O[C@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000368992203 447251895 /nfs/dbraw/zinc/25/18/95/447251895.db2.gz XBMSKGGYGJVRMD-QGZVFWFLSA-N 2 1 326.481 1.087 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000377581865 447220663 /nfs/dbraw/zinc/22/06/63/447220663.db2.gz NNMKFLACFTXHAS-WTTBNOFXSA-N 2 1 333.480 1.307 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2CCNC2=O)cc1F ZINC000377587980 447226598 /nfs/dbraw/zinc/22/65/98/447226598.db2.gz DGJGTVLBMTYMSV-GFCCVEGCSA-N 2 1 331.395 1.996 20 0 EDADMP C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1=CC[N@@H+](C)CC1 ZINC000376040707 447229699 /nfs/dbraw/zinc/22/96/99/447229699.db2.gz BSBYEJMEUNRCHD-CQSZACIVSA-N 2 1 346.479 1.922 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCCCO1 ZINC000446132278 447236392 /nfs/dbraw/zinc/23/63/92/447236392.db2.gz VHMCXHSBBJYFHO-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000376080779 447256565 /nfs/dbraw/zinc/25/65/65/447256565.db2.gz KDGMKLJQWSLRFC-KRWDZBQOSA-N 2 1 330.476 1.902 20 0 EDADMP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377631259 447257469 /nfs/dbraw/zinc/25/74/69/447257469.db2.gz RMPHXQHCAJLITG-NNPSNHGLSA-N 2 1 343.475 1.084 20 0 EDADMP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377631259 447257473 /nfs/dbraw/zinc/25/74/73/447257473.db2.gz RMPHXQHCAJLITG-NNPSNHGLSA-N 2 1 343.475 1.084 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC000426468645 447449311 /nfs/dbraw/zinc/44/93/11/447449311.db2.gz KXSSVHHRLZDGTJ-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC000426468645 447449316 /nfs/dbraw/zinc/44/93/16/447449316.db2.gz KXSSVHHRLZDGTJ-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP COCCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379631477 447454360 /nfs/dbraw/zinc/45/43/60/447454360.db2.gz MBKDDSKSKWVDBG-YTQUADARSA-N 2 1 336.476 1.653 20 0 EDADMP COCCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379631477 447454365 /nfs/dbraw/zinc/45/43/65/447454365.db2.gz MBKDDSKSKWVDBG-YTQUADARSA-N 2 1 336.476 1.653 20 0 EDADMP COCc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)o1 ZINC000382469818 447462945 /nfs/dbraw/zinc/46/29/45/447462945.db2.gz GUVXXONQJJKUKT-RHSMWYFYSA-N 2 1 335.448 1.506 20 0 EDADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c1)C1CC1 ZINC000415469834 447460970 /nfs/dbraw/zinc/46/09/70/447460970.db2.gz MXZPOUCXJUNLOD-QGZVFWFLSA-N 2 1 344.459 1.212 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000458719837 447461344 /nfs/dbraw/zinc/46/13/44/447461344.db2.gz DRBRHWAUXNXVOL-INIZCTEOSA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000458719837 447461349 /nfs/dbraw/zinc/46/13/49/447461349.db2.gz DRBRHWAUXNXVOL-INIZCTEOSA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000458719837 447461352 /nfs/dbraw/zinc/46/13/52/447461352.db2.gz DRBRHWAUXNXVOL-INIZCTEOSA-N 2 1 339.528 1.137 20 0 EDADMP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000383344751 447465974 /nfs/dbraw/zinc/46/59/74/447465974.db2.gz LWQKUTHYSLAARS-ZWKOTPCHSA-N 2 1 331.460 1.393 20 0 EDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000390896001 447505029 /nfs/dbraw/zinc/50/50/29/447505029.db2.gz KFSDPUFGPAKSTN-ROUUACIJSA-N 2 1 331.460 1.393 20 0 EDADMP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000391038723 447509176 /nfs/dbraw/zinc/50/91/76/447509176.db2.gz ZTLGSFUESDTYHW-GJZGRUSLSA-N 2 1 341.402 1.376 20 0 EDADMP C[NH+](C)CC(C)(C)NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000457201516 447539434 /nfs/dbraw/zinc/53/94/34/447539434.db2.gz FTJMWMYNEOGIHV-QGZVFWFLSA-N 2 1 333.476 1.734 20 0 EDADMP C[NH+](C)CC(C)(C)NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000457201516 447539440 /nfs/dbraw/zinc/53/94/40/447539440.db2.gz FTJMWMYNEOGIHV-QGZVFWFLSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@H](C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)S(C)(=O)=O ZINC000450635392 447544628 /nfs/dbraw/zinc/54/46/28/447544628.db2.gz BJWWMWZWDSWSOL-CQSZACIVSA-N 2 1 325.478 1.663 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427148625 447553297 /nfs/dbraw/zinc/55/32/97/447553297.db2.gz YPBQBGZMNIZZLR-FGTMMUONSA-N 2 1 337.508 1.963 20 0 EDADMP CC[C@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1C[C@@H](C)O ZINC000459164325 447602537 /nfs/dbraw/zinc/60/25/37/447602537.db2.gz RCWAXFBDLIQEGK-CVEARBPZSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H]1CN(C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1C[C@@H](C)O ZINC000459164325 447602538 /nfs/dbraw/zinc/60/25/38/447602538.db2.gz RCWAXFBDLIQEGK-CVEARBPZSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H]1CN(C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1C[C@@H](C)O ZINC000459164325 447602548 /nfs/dbraw/zinc/60/25/48/447602548.db2.gz RCWAXFBDLIQEGK-CVEARBPZSA-N 2 1 340.512 1.347 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000405300534 447608615 /nfs/dbraw/zinc/60/86/15/447608615.db2.gz NMNLEEVRQJOVTF-GBESFXJTSA-N 2 1 345.487 1.911 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1COCC1(C)C ZINC000459196509 447612219 /nfs/dbraw/zinc/61/22/19/447612219.db2.gz PBCBOLHEFPQKGF-JKSUJKDBSA-N 2 1 340.512 1.469 20 0 EDADMP [NH3+]CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)F ZINC000416849276 447695476 /nfs/dbraw/zinc/69/54/76/447695476.db2.gz XTOKVBPPGVNSMR-KGLIPLIRSA-N 2 1 326.391 1.543 20 0 EDADMP C[C@@H]1NC(=O)N(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000459417340 447657617 /nfs/dbraw/zinc/65/76/17/447657617.db2.gz YSLYTBFHXRDDHE-VYDXJSESSA-N 2 1 344.459 1.427 20 0 EDADMP C[C@@H]1NC(=O)N(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000459417340 447657622 /nfs/dbraw/zinc/65/76/22/447657622.db2.gz YSLYTBFHXRDDHE-VYDXJSESSA-N 2 1 344.459 1.427 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000457927304 447673577 /nfs/dbraw/zinc/67/35/77/447673577.db2.gz IGHFCXGVLPSTHE-BRWVUGGUSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)C[C@H](CNC(=O)NC(C)(C)CCC[NH3+])[NH+]1CCOCC1 ZINC000416939827 447717193 /nfs/dbraw/zinc/71/71/93/447717193.db2.gz NRMUSCRLIJIUEL-OAHLLOKOSA-N 2 1 328.501 1.550 20 0 EDADMP [NH3+][C@@H]1C[C@H]([NH2+]CCN2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000422696219 447718560 /nfs/dbraw/zinc/71/85/60/447718560.db2.gz RALDVAJUSZQKRK-MSOLQXFVSA-N 2 1 338.459 1.333 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000416944710 447720315 /nfs/dbraw/zinc/72/03/15/447720315.db2.gz DOCHQZNLKOMFKJ-IKGGRYGDSA-N 2 1 339.528 1.170 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416945929 447721535 /nfs/dbraw/zinc/72/15/35/447721535.db2.gz FMEXJGNRHLEQOQ-JKSUJKDBSA-N 2 1 326.485 1.256 20 0 EDADMP COc1cc(C[C@@H](CO)C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc(OC)c1 ZINC000422823588 447760840 /nfs/dbraw/zinc/76/08/40/447760840.db2.gz LVIXFDSPJWPUGE-ZSZQSSIHSA-N 2 1 336.476 1.975 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000458323967 447769393 /nfs/dbraw/zinc/76/93/93/447769393.db2.gz GTNRQGXDIAWIQC-SJORKVTESA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000458323967 447769398 /nfs/dbraw/zinc/76/93/98/447769398.db2.gz GTNRQGXDIAWIQC-SJORKVTESA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000458323967 447769403 /nfs/dbraw/zinc/76/94/03/447769403.db2.gz GTNRQGXDIAWIQC-SJORKVTESA-N 2 1 340.512 1.253 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])ccc1OCC(=O)N(C)C ZINC000422947584 447777735 /nfs/dbraw/zinc/77/77/35/447777735.db2.gz YMWOAVJUIPTNCN-HZPDHXFCSA-N 2 1 349.475 1.912 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430592664 447781523 /nfs/dbraw/zinc/78/15/23/447781523.db2.gz QXWPGIQPMYDQMF-UONOGXRCSA-N 2 1 335.448 1.248 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430592664 447781525 /nfs/dbraw/zinc/78/15/25/447781525.db2.gz QXWPGIQPMYDQMF-UONOGXRCSA-N 2 1 335.448 1.248 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]C2CCN(C3CCC3)CC2)CC[NH2+]CC1 ZINC000422971139 447784665 /nfs/dbraw/zinc/78/46/65/447784665.db2.gz HZNMAQKZCZLRIH-HNNXBMFYSA-N 2 1 337.508 1.914 20 0 EDADMP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000470801906 447803671 /nfs/dbraw/zinc/80/36/71/447803671.db2.gz HZGLFMURZUAWRU-JZXOWHBKSA-N 2 1 337.487 1.749 20 0 EDADMP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000470801906 447803673 /nfs/dbraw/zinc/80/36/73/447803673.db2.gz HZGLFMURZUAWRU-JZXOWHBKSA-N 2 1 337.487 1.749 20 0 EDADMP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000470801906 447803676 /nfs/dbraw/zinc/80/36/76/447803676.db2.gz HZGLFMURZUAWRU-JZXOWHBKSA-N 2 1 337.487 1.749 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000522852303 447859450 /nfs/dbraw/zinc/85/94/50/447859450.db2.gz SYOGQQHVCIOIJY-IBGZPJMESA-N 2 1 331.460 1.224 20 0 EDADMP CC[NH+](CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000522852303 447859456 /nfs/dbraw/zinc/85/94/56/447859456.db2.gz SYOGQQHVCIOIJY-IBGZPJMESA-N 2 1 331.460 1.224 20 0 EDADMP CC[NH+](CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000522852303 447859459 /nfs/dbraw/zinc/85/94/59/447859459.db2.gz SYOGQQHVCIOIJY-IBGZPJMESA-N 2 1 331.460 1.224 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000484903090 447825753 /nfs/dbraw/zinc/82/57/53/447825753.db2.gz CMYCELCGMXMIEU-NCOADZHNSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496598437 447829521 /nfs/dbraw/zinc/82/95/21/447829521.db2.gz CUZRWRILHJCTLV-JKIFEVAISA-N 2 1 327.469 1.431 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496598437 447829522 /nfs/dbraw/zinc/82/95/22/447829522.db2.gz CUZRWRILHJCTLV-JKIFEVAISA-N 2 1 327.469 1.431 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2(C)CCCC2)C1 ZINC000489911842 447879006 /nfs/dbraw/zinc/87/90/06/447879006.db2.gz OTOXEZDPAXNEEX-INIZCTEOSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C2(C)CCCC2)C1 ZINC000489911842 447879012 /nfs/dbraw/zinc/87/90/12/447879012.db2.gz OTOXEZDPAXNEEX-INIZCTEOSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C2(C)CCCC2)C1 ZINC000489911842 447879019 /nfs/dbraw/zinc/87/90/19/447879019.db2.gz OTOXEZDPAXNEEX-INIZCTEOSA-N 2 1 325.497 1.724 20 0 EDADMP CCOC(=O)N1CCC[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000496749556 447880015 /nfs/dbraw/zinc/88/00/15/447880015.db2.gz CBJAVIFNKHSLHG-INIZCTEOSA-N 2 1 335.448 1.902 20 0 EDADMP CCOC(=O)N1CCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000496749556 447880023 /nfs/dbraw/zinc/88/00/23/447880023.db2.gz CBJAVIFNKHSLHG-INIZCTEOSA-N 2 1 335.448 1.902 20 0 EDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497134038 447880713 /nfs/dbraw/zinc/88/07/13/447880713.db2.gz RLDLEZVFKLOUIB-WMLDXEAASA-N 2 1 329.485 1.584 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)OC3CCOCC3)CC2)CC1 ZINC000496751783 447882167 /nfs/dbraw/zinc/88/21/67/447882167.db2.gz IKQCTYGRGITSOQ-UHFFFAOYSA-N 2 1 339.480 1.794 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)OC3CCOCC3)CC2)CC1 ZINC000496751783 447882169 /nfs/dbraw/zinc/88/21/69/447882169.db2.gz IKQCTYGRGITSOQ-UHFFFAOYSA-N 2 1 339.480 1.794 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn2c(n1)CCC2 ZINC000569815199 447898198 /nfs/dbraw/zinc/89/81/98/447898198.db2.gz YFTBSEZECWCQPR-OAHLLOKOSA-N 2 1 333.480 1.317 20 0 EDADMP O=C(N1CC[NH+](C2CCC2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530585059 447922091 /nfs/dbraw/zinc/92/20/91/447922091.db2.gz CCARQRRSJNGKRU-FQEVSTJZSA-N 2 1 343.471 1.320 20 0 EDADMP O=C(N1CC[NH+](C2CCC2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530585059 447922094 /nfs/dbraw/zinc/92/20/94/447922094.db2.gz CCARQRRSJNGKRU-FQEVSTJZSA-N 2 1 343.471 1.320 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@]3(C)CCC[NH2+]3)c2)CCO1 ZINC000570283161 447977897 /nfs/dbraw/zinc/97/78/97/447977897.db2.gz VAGLUIFSOUZRMN-BEFAXECRSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@]3(C)CCC[NH2+]3)c2)CCO1 ZINC000570283161 447977905 /nfs/dbraw/zinc/97/79/05/447977905.db2.gz VAGLUIFSOUZRMN-BEFAXECRSA-N 2 1 331.460 1.666 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+]1CCOCC1 ZINC000553256666 447983597 /nfs/dbraw/zinc/98/35/97/447983597.db2.gz JTVGCOUJJZTJTH-DOTOQJQBSA-N 2 1 325.497 1.581 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+]1CCOCC1 ZINC000553256666 447983600 /nfs/dbraw/zinc/98/36/00/447983600.db2.gz JTVGCOUJJZTJTH-DOTOQJQBSA-N 2 1 325.497 1.581 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NCC[C@H]3CCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000570307227 447984197 /nfs/dbraw/zinc/98/41/97/447984197.db2.gz NJYHVICVDPBILT-OAHLLOKOSA-N 2 1 346.479 1.504 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000576183015 447993268 /nfs/dbraw/zinc/99/32/68/447993268.db2.gz LERCTBDZLQMGAH-FHWLQOOXSA-N 2 1 341.540 1.512 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000576183015 447993275 /nfs/dbraw/zinc/99/32/75/447993275.db2.gz LERCTBDZLQMGAH-FHWLQOOXSA-N 2 1 341.540 1.512 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000576183015 447993277 /nfs/dbraw/zinc/99/32/77/447993277.db2.gz LERCTBDZLQMGAH-FHWLQOOXSA-N 2 1 341.540 1.512 20 0 EDADMP O=C([C@@H]1CCCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000576228799 448005971 /nfs/dbraw/zinc/00/59/71/448005971.db2.gz CJIVJROBAGFUSK-INIZCTEOSA-N 2 1 345.491 1.725 20 0 EDADMP C[C@H]1C[C@H]([N@@H+](C)CCOCCNC(=O)OC(C)(C)C)CCN1C ZINC000497216976 447969891 /nfs/dbraw/zinc/96/98/91/447969891.db2.gz YHIHZENSBCKRBR-LSDHHAIUSA-N 2 1 329.485 1.942 20 0 EDADMP C[C@H]1C[C@H]([NH+](C)CCOCCNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000497216976 447969896 /nfs/dbraw/zinc/96/98/96/447969896.db2.gz YHIHZENSBCKRBR-LSDHHAIUSA-N 2 1 329.485 1.942 20 0 EDADMP C[C@H]1C[C@H]([NH+](C)CCOCCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497216976 447969901 /nfs/dbraw/zinc/96/99/01/447969901.db2.gz YHIHZENSBCKRBR-LSDHHAIUSA-N 2 1 329.485 1.942 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccnn1C ZINC000491433050 448027728 /nfs/dbraw/zinc/02/77/28/448027728.db2.gz CIIVBFKVMPSDKO-XZVRFQMRSA-N 2 1 333.480 1.308 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCc2cccnc2N2CCOCC2)CC[N@H+]1C ZINC000525808057 448029946 /nfs/dbraw/zinc/02/99/46/448029946.db2.gz KQHBLFDKHTVUKH-GOEBONIOSA-N 2 1 347.463 1.200 20 0 EDADMP O=C1O[C@]2(CN1C[N@@H+](C[C@H]1CCOC1)C1CC1)C[NH+]1CCC2CC1 ZINC000497284756 448038596 /nfs/dbraw/zinc/03/85/96/448038596.db2.gz IRDBLVXDXQOKNX-KDOFPFPSSA-N 2 1 335.448 1.361 20 0 EDADMP Cc1nn(C)c2ncc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cc12 ZINC000576584173 448091493 /nfs/dbraw/zinc/09/14/93/448091493.db2.gz JJBLDGMUSBWXTO-HNNXBMFYSA-N 2 1 329.448 1.464 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000576623631 448099333 /nfs/dbraw/zinc/09/93/33/448099333.db2.gz RQYPFMUJSOHCDC-UHFFFAOYSA-N 3 1 344.507 1.891 20 0 EDADMP O=C(C[N@H+]1CC[C@H](c2ccncc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000571057083 448103223 /nfs/dbraw/zinc/10/32/23/448103223.db2.gz JBNZLOFZMLLUGH-INIZCTEOSA-N 2 1 328.460 1.614 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000502754596 448105193 /nfs/dbraw/zinc/10/51/93/448105193.db2.gz BYJDWCXPWNHZOU-LUKYLMHMSA-N 2 1 338.496 1.364 20 0 EDADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000571153668 448112162 /nfs/dbraw/zinc/11/21/62/448112162.db2.gz OHVWNVXADGSNKU-MJGOQNOKSA-N 2 1 335.492 1.356 20 0 EDADMP COC(=O)c1cccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)n1 ZINC000576784561 448137671 /nfs/dbraw/zinc/13/76/71/448137671.db2.gz LXDOSKHNRNKYBA-UHFFFAOYSA-N 2 1 334.464 1.326 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000571547364 448171805 /nfs/dbraw/zinc/17/18/05/448171805.db2.gz JILXWZUBQUVVMF-HNNXBMFYSA-N 2 1 334.468 1.708 20 0 EDADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000571611025 448176366 /nfs/dbraw/zinc/17/63/66/448176366.db2.gz CHWGRNTZVCMRCC-HOTGVXAUSA-N 2 1 339.528 1.042 20 0 EDADMP CCOC(=O)N[C@H]1CCC[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000497061201 448167201 /nfs/dbraw/zinc/16/72/01/448167201.db2.gz FEAKCICDJFOJHA-CVEARBPZSA-N 2 1 335.448 1.948 20 0 EDADMP CCOC(=O)N[C@H]1CCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000497061201 448167208 /nfs/dbraw/zinc/16/72/08/448167208.db2.gz FEAKCICDJFOJHA-CVEARBPZSA-N 2 1 335.448 1.948 20 0 EDADMP C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(CC[NH3+])CC1 ZINC000571529569 448167921 /nfs/dbraw/zinc/16/79/21/448167921.db2.gz NQTZIHIMBOLHPH-CYBMUJFWSA-N 2 1 341.463 1.741 20 0 EDADMP COC[C@]1(CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CCC[NH2+]1 ZINC000514850232 448213711 /nfs/dbraw/zinc/21/37/11/448213711.db2.gz OXCFOBNCEKXUCX-CRAIPNDOSA-N 2 1 338.496 1.271 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)n1C ZINC000582595725 448284200 /nfs/dbraw/zinc/28/42/00/448284200.db2.gz OJIBMTCGFHJGLE-JKSUJKDBSA-N 2 1 342.447 1.041 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000572104064 448285459 /nfs/dbraw/zinc/28/54/59/448285459.db2.gz MBFHITSALKWBJQ-NVXWUHKLSA-N 2 1 340.512 1.422 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[NH+]1CC(C)C1 ZINC000572301433 448340323 /nfs/dbraw/zinc/34/03/23/448340323.db2.gz FLNMOEYWRGLRRL-NEWSRXKRSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[NH+]1CC(C)C1 ZINC000572301433 448340329 /nfs/dbraw/zinc/34/03/29/448340329.db2.gz FLNMOEYWRGLRRL-NEWSRXKRSA-N 2 1 345.487 1.326 20 0 EDADMP CCn1cc(NC(=O)N2CCC[N@@H+](C3CCN(CC)CC3)CC2)cn1 ZINC000577838015 448397436 /nfs/dbraw/zinc/39/74/36/448397436.db2.gz AYDXHAWKTMQDTQ-UHFFFAOYSA-N 2 1 348.495 1.927 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000516258627 448404487 /nfs/dbraw/zinc/40/44/87/448404487.db2.gz WNPZVLLXYVKPKD-HNNXBMFYSA-N 2 1 346.475 1.581 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000533485837 448410291 /nfs/dbraw/zinc/41/02/91/448410291.db2.gz RYNTVTYEYXMJFC-SJORKVTESA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000533485837 448410296 /nfs/dbraw/zinc/41/02/96/448410296.db2.gz RYNTVTYEYXMJFC-SJORKVTESA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000533485837 448410302 /nfs/dbraw/zinc/41/03/02/448410302.db2.gz RYNTVTYEYXMJFC-SJORKVTESA-N 2 1 339.528 1.042 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000566436476 448469792 /nfs/dbraw/zinc/46/97/92/448469792.db2.gz LCTHDWDOGGPPQZ-KRWDZBQOSA-N 2 1 336.524 1.347 20 0 EDADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000566436476 448469795 /nfs/dbraw/zinc/46/97/95/448469795.db2.gz LCTHDWDOGGPPQZ-KRWDZBQOSA-N 2 1 336.524 1.347 20 0 EDADMP O=C(NCCNc1cc[nH+]cc1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000533810652 448423929 /nfs/dbraw/zinc/42/39/29/448423929.db2.gz DRXUSAATDLLRGK-QGZVFWFLSA-N 2 1 339.443 1.339 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000578024234 448443366 /nfs/dbraw/zinc/44/33/66/448443366.db2.gz RHQDGNVETHUMRW-MJGOQNOKSA-N 2 1 344.503 1.261 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000591727502 448474058 /nfs/dbraw/zinc/47/40/58/448474058.db2.gz DRIMXWPZJKWUSB-RHSMWYFYSA-N 2 1 348.443 1.287 20 0 EDADMP C[NH+]1CCC(CCO)([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000584301715 448479371 /nfs/dbraw/zinc/47/93/71/448479371.db2.gz BPQPCFHBILCFEV-UHFFFAOYSA-N 2 1 337.430 1.840 20 0 EDADMP CC1CCN(CC(=O)NCCNc2ccc3ccccc3n2)CC1 ZINC000572905097 448493533 /nfs/dbraw/zinc/49/35/33/448493533.db2.gz ROTJNZISFSIOKP-UHFFFAOYSA-N 2 1 326.444 2.495 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000584340605 448489605 /nfs/dbraw/zinc/48/96/05/448489605.db2.gz PFNDWIJLHVTWLZ-BPQIPLTHSA-N 2 1 330.476 1.773 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000578300018 448508853 /nfs/dbraw/zinc/50/88/53/448508853.db2.gz KQTPOBVGYVRDEU-MRXNPFEDSA-N 2 1 331.464 1.645 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528367354 448500529 /nfs/dbraw/zinc/50/05/29/448500529.db2.gz QLXJEQKPPRZBHD-KZNAEPCWSA-N 2 1 339.524 1.143 20 0 EDADMP CC[NH+]1CCN(c2ccc(CNC(=O)C[N@H+]3CC[C@H](C)C3)cn2)CC1 ZINC000573218060 448572041 /nfs/dbraw/zinc/57/20/41/448572041.db2.gz YREJCEPJLISAAW-INIZCTEOSA-N 2 1 345.491 1.182 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cc(C)nn1C ZINC000578433345 448543210 /nfs/dbraw/zinc/54/32/10/448543210.db2.gz YRSHDLXIXHEYHV-INIZCTEOSA-N 2 1 335.496 1.146 20 0 EDADMP COc1cc2c(cc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000517165630 448546674 /nfs/dbraw/zinc/54/66/74/448546674.db2.gz MJPWFJIULUMWOF-CQSZACIVSA-N 2 1 347.459 1.272 20 0 EDADMP C[C@H](O)CN1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000517585924 448597667 /nfs/dbraw/zinc/59/76/67/448597667.db2.gz XQYARXBBIZKLMU-JENIJYKNSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000517585924 448597669 /nfs/dbraw/zinc/59/76/69/448597669.db2.gz XQYARXBBIZKLMU-JENIJYKNSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000517585924 448597670 /nfs/dbraw/zinc/59/76/70/448597670.db2.gz XQYARXBBIZKLMU-JENIJYKNSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000517585924 448597673 /nfs/dbraw/zinc/59/76/73/448597673.db2.gz XQYARXBBIZKLMU-JENIJYKNSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000517585924 448597675 /nfs/dbraw/zinc/59/76/75/448597675.db2.gz XQYARXBBIZKLMU-JENIJYKNSA-N 2 1 345.487 1.422 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)c2cn(CC[NH3+])nn2)[C@@H]1c1cccs1 ZINC000579025437 448698648 /nfs/dbraw/zinc/69/86/48/448698648.db2.gz CNOHWULMRADSGC-IUODEOHRSA-N 2 1 348.476 1.111 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(c3cc(N4CCC[C@@H](CO)C4)ncn3)[C@@H]2C1 ZINC000579102854 448713589 /nfs/dbraw/zinc/71/35/89/448713589.db2.gz VTSZVLKIWIAXGT-OWCLPIDISA-N 2 1 331.464 1.216 20 0 EDADMP C[NH+]1CCC(n2ccc(NC(=O)NCC[C@H]3CCC[N@@H+](C)C3)n2)CC1 ZINC000567566296 448713901 /nfs/dbraw/zinc/71/39/01/448713901.db2.gz PVIYTOKAFSUKGH-OAHLLOKOSA-N 2 1 348.495 2.003 20 0 EDADMP CC[N@@H+](CCSC)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000592197402 448734086 /nfs/dbraw/zinc/73/40/86/448734086.db2.gz BQOAUQDHXNUVNA-OAHLLOKOSA-N 2 1 331.526 1.144 20 0 EDADMP CC[NH+](CCSC)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000592197402 448734088 /nfs/dbraw/zinc/73/40/88/448734088.db2.gz BQOAUQDHXNUVNA-OAHLLOKOSA-N 2 1 331.526 1.144 20 0 EDADMP CC[NH+](CCSC)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000592197402 448734092 /nfs/dbraw/zinc/73/40/92/448734092.db2.gz BQOAUQDHXNUVNA-OAHLLOKOSA-N 2 1 331.526 1.144 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000567864661 448777761 /nfs/dbraw/zinc/77/77/61/448777761.db2.gz HBAIPCIYIHXBEU-UHFFFAOYSA-N 2 1 343.374 1.354 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000567864661 448777764 /nfs/dbraw/zinc/77/77/64/448777764.db2.gz HBAIPCIYIHXBEU-UHFFFAOYSA-N 2 1 343.374 1.354 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000567912511 448781921 /nfs/dbraw/zinc/78/19/21/448781921.db2.gz LDFSPXRZBDTGFG-IBGZPJMESA-N 2 1 345.487 1.689 20 0 EDADMP COCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567912511 448781926 /nfs/dbraw/zinc/78/19/26/448781926.db2.gz LDFSPXRZBDTGFG-IBGZPJMESA-N 2 1 345.487 1.689 20 0 EDADMP COCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567912511 448781932 /nfs/dbraw/zinc/78/19/32/448781932.db2.gz LDFSPXRZBDTGFG-IBGZPJMESA-N 2 1 345.487 1.689 20 0 EDADMP C[C@@H](CCNC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000574195368 448814413 /nfs/dbraw/zinc/81/44/13/448814413.db2.gz UZJXUWCBJBWPRX-WNRNVDISSA-N 2 1 327.513 1.311 20 0 EDADMP C[C@@H](CCNC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000574195368 448814419 /nfs/dbraw/zinc/81/44/19/448814419.db2.gz UZJXUWCBJBWPRX-WNRNVDISSA-N 2 1 327.513 1.311 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000574200255 448816227 /nfs/dbraw/zinc/81/62/27/448816227.db2.gz OTNICKXBZMEFLR-SJLPKXTDSA-N 2 1 338.540 1.816 20 0 EDADMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568214728 448838810 /nfs/dbraw/zinc/83/88/10/448838810.db2.gz BMRQKQWPIMKXCU-RBUKOAKNSA-N 2 1 347.503 1.718 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CC[NH+](C)CC1 ZINC000521202727 448960623 /nfs/dbraw/zinc/96/06/23/448960623.db2.gz VNYBZDUWCUBUIQ-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000569103473 448962293 /nfs/dbraw/zinc/96/22/93/448962293.db2.gz INKYSFRAOCEDFX-ZMSDIMECSA-N 2 1 346.475 1.009 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000521217159 448963314 /nfs/dbraw/zinc/96/33/14/448963314.db2.gz IJBAEZYRYSLLDZ-ROUUACIJSA-N 2 1 348.491 1.309 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592957837 449080512 /nfs/dbraw/zinc/08/05/12/449080512.db2.gz TUTODSYVLBSMAK-JSGCOSHPSA-N 2 1 330.436 1.290 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000548440701 449044412 /nfs/dbraw/zinc/04/44/12/449044412.db2.gz WKPOKXGEQVYWNS-INIZCTEOSA-N 2 1 333.480 1.050 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH+]3CCc4ccccc4C3)CC2)C1 ZINC000522138486 449055224 /nfs/dbraw/zinc/05/52/24/449055224.db2.gz QFTCIQUGUIHCGA-SFHVURJKSA-N 2 1 327.472 1.987 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC000522138486 449055230 /nfs/dbraw/zinc/05/52/30/449055230.db2.gz QFTCIQUGUIHCGA-SFHVURJKSA-N 2 1 327.472 1.987 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC000522138486 449055234 /nfs/dbraw/zinc/05/52/34/449055234.db2.gz QFTCIQUGUIHCGA-SFHVURJKSA-N 2 1 327.472 1.987 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000595634155 449092030 /nfs/dbraw/zinc/09/20/30/449092030.db2.gz CIKJAJRBRICFLC-AWEZNQCLSA-N 2 1 328.526 1.597 20 0 EDADMP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000530244490 449092588 /nfs/dbraw/zinc/09/25/88/449092588.db2.gz YPVPQWMTXBOQGS-UHFFFAOYSA-N 2 1 339.443 1.378 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(=O)NCc1ccccc1)C2 ZINC000593736010 449170780 /nfs/dbraw/zinc/17/07/80/449170780.db2.gz DTYNZOGMCOCKRY-YJBOKZPZSA-N 2 1 330.432 1.073 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(=O)NCc1ccccc1)C2 ZINC000593736010 449170788 /nfs/dbraw/zinc/17/07/88/449170788.db2.gz DTYNZOGMCOCKRY-YJBOKZPZSA-N 2 1 330.432 1.073 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[NH+]4CCCC[C@H]34)CC2)C1 ZINC000604641098 449267445 /nfs/dbraw/zinc/26/74/45/449267445.db2.gz CDISHYKQKWRDAQ-OKZBNKHCSA-N 2 1 349.523 1.035 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)C1 ZINC000604641098 449267451 /nfs/dbraw/zinc/26/74/51/449267451.db2.gz CDISHYKQKWRDAQ-OKZBNKHCSA-N 2 1 349.523 1.035 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)C1 ZINC000604641098 449267458 /nfs/dbraw/zinc/26/74/58/449267458.db2.gz CDISHYKQKWRDAQ-OKZBNKHCSA-N 2 1 349.523 1.035 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000595945825 449271955 /nfs/dbraw/zinc/27/19/55/449271955.db2.gz OOJICILKVAUYLT-IAGOWNOFSA-N 2 1 347.459 1.042 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2ccon2)CC1 ZINC000590785616 449292988 /nfs/dbraw/zinc/29/29/88/449292988.db2.gz GKMDSHHHPAXKAO-UHFFFAOYSA-N 2 1 342.443 2.457 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)C2)CC1 ZINC000602117256 449358392 /nfs/dbraw/zinc/35/83/92/449358392.db2.gz FUHHDYFXOKBBML-MOPGFXCFSA-N 2 1 348.535 1.630 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC[NH+](C)CC1 ZINC000606702542 449511096 /nfs/dbraw/zinc/51/10/96/449511096.db2.gz ZVUOTNXOIUYWIG-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP COC(=O)CCCC[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000600711470 449511085 /nfs/dbraw/zinc/51/10/85/449511085.db2.gz UMLUINOYSMJADE-HNNXBMFYSA-N 2 1 334.464 1.708 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606702687 449512802 /nfs/dbraw/zinc/51/28/02/449512802.db2.gz CIYAUCUXANZDSA-OAHLLOKOSA-N 2 1 326.485 1.080 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000612186973 449600145 /nfs/dbraw/zinc/60/01/45/449600145.db2.gz SRHJNWSBSQPOBP-UHFFFAOYSA-N 2 1 339.528 1.188 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(C)(C)n3cncn3)C2)CC1 ZINC000602480543 449624309 /nfs/dbraw/zinc/62/43/09/449624309.db2.gz CRFUMZTUYYYPFN-IAGOWNOFSA-N 2 1 334.512 1.502 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(C)(C)N3CCOCC3)C2)CC1 ZINC000602486549 449627857 /nfs/dbraw/zinc/62/78/57/449627857.db2.gz UHDDTSVUXCLWSM-GOSISDBHSA-N 2 1 338.540 1.198 20 0 EDADMP CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504674 449650273 /nfs/dbraw/zinc/65/02/73/449650273.db2.gz FGIIJEZVLHIJGH-HOTGVXAUSA-N 2 1 340.512 1.166 20 0 EDADMP CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504674 449650276 /nfs/dbraw/zinc/65/02/76/449650276.db2.gz FGIIJEZVLHIJGH-HOTGVXAUSA-N 2 1 340.512 1.166 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccnc2ccncc21 ZINC000617506942 449655219 /nfs/dbraw/zinc/65/52/19/449655219.db2.gz CUSZVAKRPSSMED-AWEZNQCLSA-N 2 1 329.448 1.632 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccnc2ccncc21 ZINC000617506942 449655227 /nfs/dbraw/zinc/65/52/27/449655227.db2.gz CUSZVAKRPSSMED-AWEZNQCLSA-N 2 1 329.448 1.632 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000617503384 449647816 /nfs/dbraw/zinc/64/78/16/449647816.db2.gz HCZHFNOHFHCQQK-YOEHRIQHSA-N 2 1 335.448 1.215 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000617503384 449647817 /nfs/dbraw/zinc/64/78/17/449647817.db2.gz HCZHFNOHFHCQQK-YOEHRIQHSA-N 2 1 335.448 1.215 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[NH+](C)C ZINC000617700449 449744428 /nfs/dbraw/zinc/74/44/28/449744428.db2.gz DZPINNLOHRVTIO-ZWKOTPCHSA-N 2 1 333.476 1.456 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000594944728 449815959 /nfs/dbraw/zinc/81/59/59/449815959.db2.gz VNJBESSTJZEFSG-UTRMSSBJSA-N 2 1 346.471 1.931 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000601346440 449857271 /nfs/dbraw/zinc/85/72/71/449857271.db2.gz VCGFINOCLQXKHI-IAGOWNOFSA-N 2 1 338.496 1.367 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000601346440 449857273 /nfs/dbraw/zinc/85/72/73/449857273.db2.gz VCGFINOCLQXKHI-IAGOWNOFSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000615085433 449943538 /nfs/dbraw/zinc/94/35/38/449943538.db2.gz CIXPLOQXOJGKEL-OAHLLOKOSA-N 2 1 346.475 1.469 20 0 EDADMP Cn1cc(C(C)(C)NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000608685815 449907173 /nfs/dbraw/zinc/90/71/73/449907173.db2.gz FUGHIEIKAPYCHI-HNNXBMFYSA-N 2 1 348.495 1.123 20 0 EDADMP Cn1cc(C(C)(C)NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000608685815 449907176 /nfs/dbraw/zinc/90/71/76/449907176.db2.gz FUGHIEIKAPYCHI-HNNXBMFYSA-N 2 1 348.495 1.123 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000608701922 449913535 /nfs/dbraw/zinc/91/35/35/449913535.db2.gz KPZQVTIKQLLBJH-KRWDZBQOSA-N 2 1 349.479 1.478 20 0 EDADMP CN1CC[NH+](CC2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)CC1 ZINC000615273078 450038706 /nfs/dbraw/zinc/03/87/06/450038706.db2.gz ORCSDFUBKZNNNY-SFHVURJKSA-N 2 1 348.535 1.347 20 0 EDADMP C[NH+]1CCN(CC2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)CC1 ZINC000615273078 450038708 /nfs/dbraw/zinc/03/87/08/450038708.db2.gz ORCSDFUBKZNNNY-SFHVURJKSA-N 2 1 348.535 1.347 20 0 EDADMP C[NH+]1CCN(CC2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)CC1 ZINC000615273078 450038712 /nfs/dbraw/zinc/03/87/12/450038712.db2.gz ORCSDFUBKZNNNY-SFHVURJKSA-N 2 1 348.535 1.347 20 0 EDADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000603429219 450299382 /nfs/dbraw/zinc/29/93/82/450299382.db2.gz MPOXYNGSRGJBLX-CABCVRRESA-N 2 1 326.400 1.394 20 0 EDADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000603429219 450299386 /nfs/dbraw/zinc/29/93/86/450299386.db2.gz MPOXYNGSRGJBLX-CABCVRRESA-N 2 1 326.400 1.394 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000619899846 450366887 /nfs/dbraw/zinc/36/68/87/450366887.db2.gz PULPCEDRELLCHJ-QGZVFWFLSA-N 2 1 345.491 1.194 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000623404198 450515872 /nfs/dbraw/zinc/51/58/72/450515872.db2.gz UHYTYAXFTAETGV-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCCCC1 ZINC000620486685 450503677 /nfs/dbraw/zinc/50/36/77/450503677.db2.gz LLQUFJWMJDMVMM-MSOLQXFVSA-N 2 1 337.508 1.555 20 0 EDADMP CN1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000620825268 450549388 /nfs/dbraw/zinc/54/93/88/450549388.db2.gz CFAMXGROKHNPGG-GOSISDBHSA-N 2 1 330.476 1.856 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000620825268 450549393 /nfs/dbraw/zinc/54/93/93/450549393.db2.gz CFAMXGROKHNPGG-GOSISDBHSA-N 2 1 330.476 1.856 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1CC[NH+](CC3CC3)CC1)C2 ZINC000620936136 450564215 /nfs/dbraw/zinc/56/42/15/450564215.db2.gz AYOKASJFBHSLFX-QGZVFWFLSA-N 2 1 330.476 1.992 20 0 EDADMP CC[N@@H+](CCC(=O)N1CCN(C)CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062846 450565687 /nfs/dbraw/zinc/56/56/87/450565687.db2.gz IWIVZDOPVFNABH-UHFFFAOYSA-N 2 1 346.519 1.734 20 0 EDADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062846 450565689 /nfs/dbraw/zinc/56/56/89/450565689.db2.gz IWIVZDOPVFNABH-UHFFFAOYSA-N 3 1 346.519 1.734 20 0 EDADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062846 450565690 /nfs/dbraw/zinc/56/56/90/450565690.db2.gz IWIVZDOPVFNABH-UHFFFAOYSA-N 3 1 346.519 1.734 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000623708250 450569399 /nfs/dbraw/zinc/56/93/99/450569399.db2.gz AQWQOSBIVPPGQG-MRXNPFEDSA-N 2 1 340.537 1.741 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000623708250 450569401 /nfs/dbraw/zinc/56/94/01/450569401.db2.gz AQWQOSBIVPPGQG-MRXNPFEDSA-N 2 1 340.537 1.741 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000635140028 450686061 /nfs/dbraw/zinc/68/60/61/450686061.db2.gz QJBMQULEKKKXCW-SFHVURJKSA-N 2 1 331.460 1.477 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000635140028 450686065 /nfs/dbraw/zinc/68/60/65/450686065.db2.gz QJBMQULEKKKXCW-SFHVURJKSA-N 2 1 331.460 1.477 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000629567422 450739915 /nfs/dbraw/zinc/73/99/15/450739915.db2.gz DMDGCDJSMPBCDX-INIZCTEOSA-N 2 1 347.503 1.910 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000629567422 450739919 /nfs/dbraw/zinc/73/99/19/450739919.db2.gz DMDGCDJSMPBCDX-INIZCTEOSA-N 2 1 347.503 1.910 20 0 EDADMP C[N@H+](CCOCC[NH3+])[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000629580770 450746773 /nfs/dbraw/zinc/74/67/73/450746773.db2.gz HAYWYZPTXRZZAF-CQSZACIVSA-N 2 1 329.803 1.492 20 0 EDADMP C[N@@H+](CCOCC[NH3+])[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000629580770 450746777 /nfs/dbraw/zinc/74/67/77/450746777.db2.gz HAYWYZPTXRZZAF-CQSZACIVSA-N 2 1 329.803 1.492 20 0 EDADMP O=C(CC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000629582551 450749112 /nfs/dbraw/zinc/74/91/12/450749112.db2.gz UKVWRFSWSLCOIJ-NVXWUHKLSA-N 2 1 337.851 1.270 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000629652658 450772829 /nfs/dbraw/zinc/77/28/29/450772829.db2.gz BDZRKJUIPBXINT-UHFFFAOYSA-N 3 1 348.535 1.885 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000631757952 450753562 /nfs/dbraw/zinc/75/35/62/450753562.db2.gz MXCBZDUGFGLDNQ-HZPDHXFCSA-N 2 1 345.553 1.758 20 0 EDADMP CC(C)(C)c1ncc2c(n1)CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000629650531 450770766 /nfs/dbraw/zinc/77/07/66/450770766.db2.gz VMNARDSNUDPHIO-AWEZNQCLSA-N 2 1 345.491 1.330 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)[C@@H](C)C1 ZINC000624266690 450771393 /nfs/dbraw/zinc/77/13/93/450771393.db2.gz SWJFNVXKEFDOGE-UHOSZYNNSA-N 2 1 332.492 1.602 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000621641589 450806433 /nfs/dbraw/zinc/80/64/33/450806433.db2.gz OWCQVCGIJVPWSV-XHSDSOJGSA-N 2 1 325.497 1.770 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000621641589 450806438 /nfs/dbraw/zinc/80/64/38/450806438.db2.gz OWCQVCGIJVPWSV-XHSDSOJGSA-N 2 1 325.497 1.770 20 0 EDADMP C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000631827113 450799688 /nfs/dbraw/zinc/79/96/88/450799688.db2.gz FRZYXNKYZYDXHY-JFIYKMOQSA-N 2 1 345.487 1.940 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC000633614087 450942892 /nfs/dbraw/zinc/94/28/92/450942892.db2.gz MIQAUHDUHJKNJI-GJZGRUSLSA-N 2 1 335.496 1.467 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC000633614087 450942896 /nfs/dbraw/zinc/94/28/96/450942896.db2.gz MIQAUHDUHJKNJI-GJZGRUSLSA-N 2 1 335.496 1.467 20 0 EDADMP O=C(N1CCC[N@@H+](C[C@H]2CCCO2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635443925 450945705 /nfs/dbraw/zinc/94/57/05/450945705.db2.gz MIARQDQWUQBVPU-QGZVFWFLSA-N 2 1 335.492 1.576 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626991212 451056962 /nfs/dbraw/zinc/05/69/62/451056962.db2.gz CQVDZRHKTSFMPT-OLZOCXBDSA-N 2 1 338.418 1.887 20 0 EDADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000626993648 451059939 /nfs/dbraw/zinc/05/99/39/451059939.db2.gz JXRPGYZVWYPTTI-QGZVFWFLSA-N 2 1 336.455 1.897 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2cscn2)CC1 ZINC000624887094 451047174 /nfs/dbraw/zinc/04/71/74/451047174.db2.gz RPLHUWGLRFQVRE-UHFFFAOYSA-N 2 1 331.445 1.861 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)[C@H](C)C1 ZINC000626981186 451049990 /nfs/dbraw/zinc/04/99/90/451049990.db2.gz YNYOHLBEOHNIMU-VQHPVUNQSA-N 2 1 340.512 1.563 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000624997482 451101231 /nfs/dbraw/zinc/10/12/31/451101231.db2.gz XRVPEQOSQAROKD-ZWKOTPCHSA-N 2 1 341.459 1.729 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627155059 451152016 /nfs/dbraw/zinc/15/20/16/451152016.db2.gz UONOCHKARYOJQT-UHFFFAOYSA-N 2 1 326.485 1.256 20 0 EDADMP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000635694844 451177651 /nfs/dbraw/zinc/17/76/51/451177651.db2.gz OFTLBUKXRWYKMC-ROUUACIJSA-N 2 1 335.492 1.717 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634094044 451189093 /nfs/dbraw/zinc/18/90/93/451189093.db2.gz WVPJUDWGQKMTDK-CQSZACIVSA-N 2 1 335.452 1.057 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000638082296 451246178 /nfs/dbraw/zinc/24/61/78/451246178.db2.gz GUULBUPPUSMGGJ-VKJFTORMSA-N 2 1 333.476 1.802 20 0 EDADMP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+]3C3CCCC3)CC2)CC1 ZINC000635800240 451249793 /nfs/dbraw/zinc/24/97/93/451249793.db2.gz RLAISWFEGWCKRW-SCTDSRPQSA-N 2 1 348.535 1.678 20 0 EDADMP COC[C@]1(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CCCC[NH2+]1 ZINC000638110124 451277851 /nfs/dbraw/zinc/27/78/51/451277851.db2.gz BEKYIXZLKDVAPF-SFHVURJKSA-N 2 1 348.447 1.284 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638111255 451279642 /nfs/dbraw/zinc/27/96/42/451279642.db2.gz MSCNNZTYYJXMMI-RBUKOAKNSA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638111255 451279645 /nfs/dbraw/zinc/27/96/45/451279645.db2.gz MSCNNZTYYJXMMI-RBUKOAKNSA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638111255 451279649 /nfs/dbraw/zinc/27/96/49/451279649.db2.gz MSCNNZTYYJXMMI-RBUKOAKNSA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638111255 451279651 /nfs/dbraw/zinc/27/96/51/451279651.db2.gz MSCNNZTYYJXMMI-RBUKOAKNSA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638111255 451279654 /nfs/dbraw/zinc/27/96/54/451279654.db2.gz MSCNNZTYYJXMMI-RBUKOAKNSA-N 2 1 346.519 1.540 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3=CC[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000638133048 451306040 /nfs/dbraw/zinc/30/60/40/451306040.db2.gz YTJUOZAPNFFDNZ-HZPDHXFCSA-N 2 1 345.443 1.442 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C3=CC[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000638133048 451306045 /nfs/dbraw/zinc/30/60/45/451306045.db2.gz YTJUOZAPNFFDNZ-HZPDHXFCSA-N 2 1 345.443 1.442 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638138892 451315389 /nfs/dbraw/zinc/31/53/89/451315389.db2.gz IZOVWJFOOXOHEZ-KRWDZBQOSA-N 2 1 328.460 1.315 20 0 EDADMP C[C@H]1C[C@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000638211429 451357054 /nfs/dbraw/zinc/35/70/54/451357054.db2.gz RIPKUQGHXHQYAP-FUHWJXTLSA-N 3 1 344.503 1.627 20 0 EDADMP C[C@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)[NH+]1CCCCCC1 ZINC000640518378 451369529 /nfs/dbraw/zinc/36/95/29/451369529.db2.gz IQRXUFAQOBNDSG-IXDOHACOSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638178255 451340704 /nfs/dbraw/zinc/34/07/04/451340704.db2.gz LQILNNYKHSVIGO-SJLPKXTDSA-N 3 1 344.503 1.484 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(C)(C)N1CCOCC1 ZINC000638180755 451341940 /nfs/dbraw/zinc/34/19/40/451341940.db2.gz KMZYLWOQPMCCBT-IXDOHACOSA-N 2 1 325.497 1.281 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000628756931 451401074 /nfs/dbraw/zinc/40/10/74/451401074.db2.gz XSHGJEMMCDMMMP-TVFCKZIOSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000628756931 451401078 /nfs/dbraw/zinc/40/10/78/451401078.db2.gz XSHGJEMMCDMMMP-TVFCKZIOSA-N 2 1 339.524 1.968 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CCC[C@@H]3CCO3)cc2)CC1 ZINC000638364819 451461700 /nfs/dbraw/zinc/46/17/00/451461700.db2.gz ROYHSXWKHFRHLR-GOSISDBHSA-N 2 1 331.460 1.733 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638380831 451475693 /nfs/dbraw/zinc/47/56/93/451475693.db2.gz FLWUDXDFCHLSMA-UHFFFAOYSA-N 2 1 349.519 1.952 20 0 EDADMP C[NH+]1CCC(CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634702622 451477659 /nfs/dbraw/zinc/47/76/59/451477659.db2.gz JDGBMUJAZBKSDV-HXUWFJFHSA-N 3 1 331.504 1.945 20 0 EDADMP C[NH+]1CCC(CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634702622 451477663 /nfs/dbraw/zinc/47/76/63/451477663.db2.gz JDGBMUJAZBKSDV-HXUWFJFHSA-N 3 1 331.504 1.945 20 0 EDADMP CC1(C)COCCN1CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634703105 451479284 /nfs/dbraw/zinc/47/92/84/451479284.db2.gz PYYLJUUGTLBWMP-FQEVSTJZSA-N 2 1 347.503 1.324 20 0 EDADMP CC1(C)COCCN1CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634703105 451479287 /nfs/dbraw/zinc/47/92/87/451479287.db2.gz PYYLJUUGTLBWMP-FQEVSTJZSA-N 2 1 347.503 1.324 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634709776 451488362 /nfs/dbraw/zinc/48/83/62/451488362.db2.gz OAMILUNWFOJLNE-IAGOWNOFSA-N 2 1 328.497 1.237 20 0 EDADMP CC(C)COC[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719358 451500382 /nfs/dbraw/zinc/50/03/82/451500382.db2.gz SLKAULOCRIFDNP-OALUTQOASA-N 2 1 336.476 1.247 20 0 EDADMP CC(C)COC[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719358 451500387 /nfs/dbraw/zinc/50/03/87/451500387.db2.gz SLKAULOCRIFDNP-OALUTQOASA-N 2 1 336.476 1.247 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CCC[N@@H+](Cc3cccnc3)C1)C2 ZINC000634745361 451522433 /nfs/dbraw/zinc/52/24/33/451522433.db2.gz FHKHQQMLOMEGRG-RLLQIKCJSA-N 2 1 342.487 1.752 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638504513 451549120 /nfs/dbraw/zinc/54/91/20/451549120.db2.gz FZSBFYTWRWOBLI-SJORKVTESA-N 2 1 329.444 1.288 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638504513 451549123 /nfs/dbraw/zinc/54/91/23/451549123.db2.gz FZSBFYTWRWOBLI-SJORKVTESA-N 2 1 329.444 1.288 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1)CC(C)(C)C ZINC000636171979 451562055 /nfs/dbraw/zinc/56/20/55/451562055.db2.gz RQCKRRUFTPWASV-GOSISDBHSA-N 2 1 347.503 1.847 20 0 EDADMP C[NH+](CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)CC(C)(C)C ZINC000636171979 451562063 /nfs/dbraw/zinc/56/20/63/451562063.db2.gz RQCKRRUFTPWASV-GOSISDBHSA-N 2 1 347.503 1.847 20 0 EDADMP C[NH+](CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)CC(C)(C)C ZINC000636171979 451562071 /nfs/dbraw/zinc/56/20/71/451562071.db2.gz RQCKRRUFTPWASV-GOSISDBHSA-N 2 1 347.503 1.847 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)C[C@H]1Cc1ccccc1 ZINC000636987417 451663872 /nfs/dbraw/zinc/66/38/72/451663872.db2.gz ACDPZPJHUQCOSY-ZWKOTPCHSA-N 2 1 330.476 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)C[C@H]1Cc1ccccc1 ZINC000636987417 451663875 /nfs/dbraw/zinc/66/38/75/451663875.db2.gz ACDPZPJHUQCOSY-ZWKOTPCHSA-N 2 1 330.476 1.697 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000636255331 451624971 /nfs/dbraw/zinc/62/49/71/451624971.db2.gz HBSFXKYQTCPOHK-INIZCTEOSA-N 2 1 331.460 1.728 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000636255331 451624975 /nfs/dbraw/zinc/62/49/75/451624975.db2.gz HBSFXKYQTCPOHK-INIZCTEOSA-N 2 1 331.460 1.728 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000638645078 451629236 /nfs/dbraw/zinc/62/92/36/451629236.db2.gz UIKJVKFGCUHCRD-SJLPKXTDSA-N 2 1 330.476 1.061 20 0 EDADMP C[C@@H](c1ccc(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1)[NH+]1CCOCC1 ZINC000632912135 451646226 /nfs/dbraw/zinc/64/62/26/451646226.db2.gz HMGICGCWVHQBBX-JQFCIGGWSA-N 2 1 330.432 1.658 20 0 EDADMP CO[C@H](C[NH2+]C1CC[NH+](CCOC(C)C)CC1)C1CCOCC1 ZINC000638724927 451666285 /nfs/dbraw/zinc/66/62/85/451666285.db2.gz DCGMJEPVGYROOM-GOSISDBHSA-N 2 1 328.497 1.907 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC000632981861 451677674 /nfs/dbraw/zinc/67/76/74/451677674.db2.gz FMWJQZBLUVASAU-SFHVURJKSA-N 2 1 348.491 1.447 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000632981861 451677678 /nfs/dbraw/zinc/67/76/78/451677678.db2.gz FMWJQZBLUVASAU-SFHVURJKSA-N 2 1 348.491 1.447 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000632981861 451677681 /nfs/dbraw/zinc/67/76/81/451677681.db2.gz FMWJQZBLUVASAU-SFHVURJKSA-N 2 1 348.491 1.447 20 0 EDADMP CCCc1nc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cs1 ZINC000640931379 451695944 /nfs/dbraw/zinc/69/59/44/451695944.db2.gz TVOBIGSCIPABHZ-UHFFFAOYSA-N 2 1 334.493 1.701 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638874506 451715529 /nfs/dbraw/zinc/71/55/29/451715529.db2.gz UMIOGPUMICFZLL-CRAIPNDOSA-N 2 1 327.428 1.771 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1 ZINC000638952414 451742230 /nfs/dbraw/zinc/74/22/30/451742230.db2.gz PHKAJUPKGQYMTH-AWEZNQCLSA-N 2 1 334.464 1.304 20 0 EDADMP CCO[C@H]1C[C@](CO)([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1(C)C ZINC000639084811 451765169 /nfs/dbraw/zinc/76/51/69/451765169.db2.gz BJHQUPJAZFRPPS-MAUKXSAKSA-N 2 1 328.497 1.377 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)[C@]12CCCO2 ZINC000639135304 451774276 /nfs/dbraw/zinc/77/42/76/451774276.db2.gz CKWHRXAVIOILKT-JFIYKMOQSA-N 2 1 325.497 1.329 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000644524124 451839585 /nfs/dbraw/zinc/83/95/85/451839585.db2.gz USWGDVVOTSUHQD-RCCFBDPRSA-N 2 1 334.460 1.789 20 0 EDADMP CCCN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000646767292 451829928 /nfs/dbraw/zinc/82/99/28/451829928.db2.gz UJHJBSKJPUKSJC-QGZVFWFLSA-N 2 1 346.475 1.629 20 0 EDADMP COCC1(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000644652094 451920122 /nfs/dbraw/zinc/92/01/22/451920122.db2.gz PCVBUNWFGUXOCF-GOSISDBHSA-N 2 1 336.476 1.512 20 0 EDADMP COCC1(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000644652094 451920126 /nfs/dbraw/zinc/92/01/26/451920126.db2.gz PCVBUNWFGUXOCF-GOSISDBHSA-N 2 1 336.476 1.512 20 0 EDADMP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)sc2C1 ZINC000649276848 451947744 /nfs/dbraw/zinc/94/77/44/451947744.db2.gz MGZZNBXCENNMRH-VIFPVBQESA-N 2 1 330.404 1.704 20 0 EDADMP CC[N@H+]1CCc2nc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)sc2C1 ZINC000649276848 451947746 /nfs/dbraw/zinc/94/77/46/451947746.db2.gz MGZZNBXCENNMRH-VIFPVBQESA-N 2 1 330.404 1.704 20 0 EDADMP COC[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649299218 451977253 /nfs/dbraw/zinc/97/72/53/451977253.db2.gz AKUZKKFZGAQPES-MJGOQNOKSA-N 2 1 331.460 1.536 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000649305322 451982155 /nfs/dbraw/zinc/98/21/55/451982155.db2.gz MMJUIJBWQZSVFS-ROUUACIJSA-N 2 1 331.460 1.393 20 0 EDADMP COCCC1(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000649306048 451983834 /nfs/dbraw/zinc/98/38/34/451983834.db2.gz WTSWZMWTQHRGPJ-UHFFFAOYSA-N 2 1 333.476 1.641 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[NH2+]C[C@H]3C)cc2)CC1 ZINC000649308594 451986588 /nfs/dbraw/zinc/98/65/88/451986588.db2.gz PFVPMVDZDVVMPZ-RHSMWYFYSA-N 2 1 344.459 1.258 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000649310481 451988154 /nfs/dbraw/zinc/98/81/54/451988154.db2.gz MJKSCWOKIWDPOJ-CVEARBPZSA-N 2 1 338.496 1.097 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@H]1[NH3+] ZINC000647012565 452004356 /nfs/dbraw/zinc/00/43/56/452004356.db2.gz WPCZBPFATCYWKS-CEXWTWQISA-N 2 1 345.487 1.863 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@H]1[NH3+] ZINC000647012565 452004359 /nfs/dbraw/zinc/00/43/59/452004359.db2.gz WPCZBPFATCYWKS-CEXWTWQISA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@]2(N)CC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000649331706 452013276 /nfs/dbraw/zinc/01/32/76/452013276.db2.gz PFJVYVHJKMJRRW-OXQOHEQNSA-N 2 1 344.503 1.799 20 0 EDADMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000644824384 452014663 /nfs/dbraw/zinc/01/46/63/452014663.db2.gz VOZBZYWYPBMIDB-FZMZJTMJSA-N 2 1 347.369 1.981 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000644824384 452014667 /nfs/dbraw/zinc/01/46/67/452014667.db2.gz VOZBZYWYPBMIDB-FZMZJTMJSA-N 2 1 347.369 1.981 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649336687 452018166 /nfs/dbraw/zinc/01/81/66/452018166.db2.gz MPMZBYXFTGJDOJ-NXHRZFHOSA-N 2 1 331.460 1.249 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)CC1 ZINC000639712861 452052877 /nfs/dbraw/zinc/05/28/77/452052877.db2.gz CYTPTTFMMJCQMO-OAHLLOKOSA-N 2 1 349.479 1.093 20 0 EDADMP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000637801098 452090503 /nfs/dbraw/zinc/09/05/03/452090503.db2.gz IBXVWDSMFUXGIP-ZHALLVOQSA-N 2 1 329.444 1.085 20 0 EDADMP CC(C)CCOCCNC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757575 452096343 /nfs/dbraw/zinc/09/63/43/452096343.db2.gz IIKWGZYWILIJHZ-UHFFFAOYSA-N 2 1 325.497 1.583 20 0 EDADMP COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639760298 452098321 /nfs/dbraw/zinc/09/83/21/452098321.db2.gz DTJUMLAXZWZAIN-GOSISDBHSA-N 2 1 335.448 1.412 20 0 EDADMP COc1cccc(NC(=O)CC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639760298 452098326 /nfs/dbraw/zinc/09/83/26/452098326.db2.gz DTJUMLAXZWZAIN-GOSISDBHSA-N 2 1 335.448 1.412 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637847793 452112846 /nfs/dbraw/zinc/11/28/46/452112846.db2.gz DFTRAUMHQDPBIC-NSHGMRRFSA-N 2 1 345.487 1.625 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1CCO ZINC000649582200 452155595 /nfs/dbraw/zinc/15/55/95/452155595.db2.gz DAGLXXPHFAXKCE-QGZVFWFLSA-N 2 1 337.508 1.699 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1CCO ZINC000649582200 452155602 /nfs/dbraw/zinc/15/56/02/452155602.db2.gz DAGLXXPHFAXKCE-QGZVFWFLSA-N 2 1 337.508 1.699 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1CCO ZINC000649582200 452155609 /nfs/dbraw/zinc/15/56/09/452155609.db2.gz DAGLXXPHFAXKCE-QGZVFWFLSA-N 2 1 337.508 1.699 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1CCO ZINC000649582200 452155615 /nfs/dbraw/zinc/15/56/15/452155615.db2.gz DAGLXXPHFAXKCE-QGZVFWFLSA-N 2 1 337.508 1.699 20 0 EDADMP COCC[C@H](C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637969679 452216672 /nfs/dbraw/zinc/21/66/72/452216672.db2.gz QFLMPCCIGPGTDI-INIZCTEOSA-N 2 1 333.476 1.911 20 0 EDADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647493415 452236217 /nfs/dbraw/zinc/23/62/17/452236217.db2.gz MZBPANHCPFEOJK-UHFFFAOYSA-N 2 1 327.476 1.826 20 0 EDADMP CCCN(C(=O)NCCN1CCOCC1(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000645257305 452240126 /nfs/dbraw/zinc/24/01/26/452240126.db2.gz HCBCQOCDNQMBIZ-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC2([NH3+])CCCC2)C[C@@H](C)O1 ZINC000659431803 452276145 /nfs/dbraw/zinc/27/61/45/452276145.db2.gz ZPZVQAUOFFAHBM-ZIAGYGMSSA-N 2 1 326.485 1.445 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N[C@H]3C[NH2+]C[C@@H](C)C3)C2)cc(OC)c1 ZINC000647549803 452277426 /nfs/dbraw/zinc/27/74/26/452277426.db2.gz RVOCANQXWLIWOE-BHYGNILZSA-N 2 1 333.476 1.866 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N[C@H]3C[NH2+]C[C@@H](C)C3)C2)cc(OC)c1 ZINC000647549803 452277435 /nfs/dbraw/zinc/27/74/35/452277435.db2.gz RVOCANQXWLIWOE-BHYGNILZSA-N 2 1 333.476 1.866 20 0 EDADMP C[C@H](OCCCNC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641803391 452280583 /nfs/dbraw/zinc/28/05/83/452280583.db2.gz FIEJBORVPBMKPE-BHYGNILZSA-N 2 1 333.476 1.986 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000641803509 452281074 /nfs/dbraw/zinc/28/10/74/452281074.db2.gz GFHZBJFCIKTAGX-IAGOWNOFSA-N 2 1 341.459 1.246 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805796 452283775 /nfs/dbraw/zinc/28/37/75/452283775.db2.gz OOAOJJGQDJMRQZ-SJORKVTESA-N 2 1 333.476 1.945 20 0 EDADMP COc1cccc(CN(C)C(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1OC ZINC000641808283 452288503 /nfs/dbraw/zinc/28/85/03/452288503.db2.gz XUUCYSMYLHDMBT-LSDHHAIUSA-N 2 1 335.448 1.378 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659442646 452291269 /nfs/dbraw/zinc/29/12/69/452291269.db2.gz RBQULSYHISTBGJ-CKXIEVRYSA-N 2 1 328.460 1.873 20 0 EDADMP CCN(C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663579229 452303929 /nfs/dbraw/zinc/30/39/29/452303929.db2.gz BNTVEZDALDCXEB-GOSISDBHSA-N 2 1 345.491 1.782 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659469268 452325596 /nfs/dbraw/zinc/32/55/96/452325596.db2.gz LOVHENYKGYVQER-KYJSFNMBSA-N 2 1 334.508 1.890 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)C[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659469166 452326689 /nfs/dbraw/zinc/32/66/89/452326689.db2.gz HOXRGXJGNHHKBK-SZMVWBNQSA-N 2 1 348.491 1.573 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)C[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659469166 452326702 /nfs/dbraw/zinc/32/67/02/452326702.db2.gz HOXRGXJGNHHKBK-SZMVWBNQSA-N 2 1 348.491 1.573 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCSCC[C@@H]1C ZINC000665761768 452336154 /nfs/dbraw/zinc/33/61/54/452336154.db2.gz PKPMCHQQJCYXEC-GJZGRUSLSA-N 2 1 330.542 1.795 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCSCC[C@@H]1C ZINC000665761768 452336158 /nfs/dbraw/zinc/33/61/58/452336158.db2.gz PKPMCHQQJCYXEC-GJZGRUSLSA-N 2 1 330.542 1.795 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@](C)(O)CC1 ZINC000665762482 452338359 /nfs/dbraw/zinc/33/83/59/452338359.db2.gz FYWOFCWORUNPIP-DOTOQJQBSA-N 2 1 328.501 1.205 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@](C)(O)CC1 ZINC000665762482 452338369 /nfs/dbraw/zinc/33/83/69/452338369.db2.gz FYWOFCWORUNPIP-DOTOQJQBSA-N 2 1 328.501 1.205 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000659482802 452341388 /nfs/dbraw/zinc/34/13/88/452341388.db2.gz TZRJZUSQFNJOAP-FCGDIQPGSA-N 2 1 342.487 1.948 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)CCC(F)(F)F ZINC000659485270 452345498 /nfs/dbraw/zinc/34/54/98/452345498.db2.gz NESVXMUPKZASQS-GHMZBOCLSA-N 2 1 328.354 1.341 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(OCCO)CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000657598593 452370774 /nfs/dbraw/zinc/37/07/74/452370774.db2.gz MVFFKTJAEUARSM-YZGWKJHDSA-N 2 1 348.487 1.797 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(OCCO)CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000657598593 452370781 /nfs/dbraw/zinc/37/07/81/452370781.db2.gz MVFFKTJAEUARSM-YZGWKJHDSA-N 2 1 348.487 1.797 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638075435 452387762 /nfs/dbraw/zinc/38/77/62/452387762.db2.gz RKDKDESKBMXIJT-QAPCUYQASA-N 2 1 343.475 1.403 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638075435 452387766 /nfs/dbraw/zinc/38/77/66/452387766.db2.gz RKDKDESKBMXIJT-QAPCUYQASA-N 2 1 343.475 1.403 20 0 EDADMP CCN(C(=O)NCCCC[NH+]1CCN(CC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663656117 452398214 /nfs/dbraw/zinc/39/82/14/452398214.db2.gz SLNANKLRAOZTPI-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CCN(C(=O)NCCCCN1CC[NH+](CC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663656117 452398220 /nfs/dbraw/zinc/39/82/20/452398220.db2.gz SLNANKLRAOZTPI-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CCN(C(=O)NCCCCN1CC[NH+](CC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663656117 452398229 /nfs/dbraw/zinc/39/82/29/452398229.db2.gz SLNANKLRAOZTPI-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652204172 452401252 /nfs/dbraw/zinc/40/12/52/452401252.db2.gz IPKGMYDTMSMRGX-QZTJIDSGSA-N 2 1 330.476 1.554 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652204172 452401258 /nfs/dbraw/zinc/40/12/58/452401258.db2.gz IPKGMYDTMSMRGX-QZTJIDSGSA-N 2 1 330.476 1.554 20 0 EDADMP C[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000645494554 452463090 /nfs/dbraw/zinc/46/30/90/452463090.db2.gz SVVNZRNHRSSZPA-NVXWUHKLSA-N 2 1 330.476 1.311 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000659608264 452463807 /nfs/dbraw/zinc/46/38/07/452463807.db2.gz BQUCYHGWCOAOCL-YYIAUSFCSA-N 2 1 348.491 1.023 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000647735452 452467615 /nfs/dbraw/zinc/46/76/15/452467615.db2.gz DHMBFWQRJWWJTO-AWEZNQCLSA-N 2 1 342.447 1.840 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C[C@H]1Cc1ccccc1 ZINC000659614853 452473317 /nfs/dbraw/zinc/47/33/17/452473317.db2.gz REISIGBLAIBJCQ-TVRKMHQQSA-N 2 1 328.460 1.307 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C[C@H]1Cc1ccccc1 ZINC000659614853 452473321 /nfs/dbraw/zinc/47/33/21/452473321.db2.gz REISIGBLAIBJCQ-TVRKMHQQSA-N 2 1 328.460 1.307 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000659623339 452480066 /nfs/dbraw/zinc/48/00/66/452480066.db2.gz DNUOHKCZMWVTHA-MRXNPFEDSA-N 2 1 327.517 1.027 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000659623339 452480078 /nfs/dbraw/zinc/48/00/78/452480078.db2.gz DNUOHKCZMWVTHA-MRXNPFEDSA-N 2 1 327.517 1.027 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000663762530 452490126 /nfs/dbraw/zinc/49/01/26/452490126.db2.gz DAPRPBAEICGDKB-ZWKOTPCHSA-N 2 1 332.492 1.943 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654440886 452501495 /nfs/dbraw/zinc/50/14/95/452501495.db2.gz ZNSMMJSNVIRUMS-OAGGEKHMSA-N 2 1 328.501 1.515 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654440886 452501490 /nfs/dbraw/zinc/50/14/90/452501490.db2.gz ZNSMMJSNVIRUMS-OAGGEKHMSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654452456 452517895 /nfs/dbraw/zinc/51/78/95/452517895.db2.gz SJPNOHQGBSMWDS-LVQVYYBASA-N 2 1 340.512 1.514 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654452456 452517902 /nfs/dbraw/zinc/51/79/02/452517902.db2.gz SJPNOHQGBSMWDS-LVQVYYBASA-N 2 1 340.512 1.514 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)NCc3ccccc3F)C2)C1 ZINC000652346907 452521829 /nfs/dbraw/zinc/52/18/29/452521829.db2.gz LFOISJKCTVHUHS-LZLYRXPVSA-N 2 1 349.450 1.660 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COCc1ccccc1 ZINC000655708123 452525846 /nfs/dbraw/zinc/52/58/46/452525846.db2.gz DSQJGEOMKGYPNO-RBUKOAKNSA-N 2 1 334.460 1.407 20 0 EDADMP COCc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652351919 452529861 /nfs/dbraw/zinc/52/98/61/452529861.db2.gz IMGMJDBRSWFSMZ-HKUYNNGSSA-N 2 1 331.460 1.510 20 0 EDADMP COCc1cccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652351919 452529871 /nfs/dbraw/zinc/52/98/71/452529871.db2.gz IMGMJDBRSWFSMZ-HKUYNNGSSA-N 2 1 331.460 1.510 20 0 EDADMP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC(C[NH+]2CCOCC2)C1 ZINC000647806713 452540021 /nfs/dbraw/zinc/54/00/21/452540021.db2.gz SXMAOFVJVOWUCE-GOSISDBHSA-N 2 1 335.492 1.574 20 0 EDADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC(C[NH+]2CCOCC2)C1 ZINC000647806713 452540034 /nfs/dbraw/zinc/54/00/34/452540034.db2.gz SXMAOFVJVOWUCE-GOSISDBHSA-N 2 1 335.492 1.574 20 0 EDADMP C[N@@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000647881162 452621158 /nfs/dbraw/zinc/62/11/58/452621158.db2.gz IKGYEFZLHJVHGN-STQMWFEESA-N 2 1 332.366 1.986 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654562976 452646931 /nfs/dbraw/zinc/64/69/31/452646931.db2.gz UVHQFLIBDRSRQU-NCOADZHNSA-N 2 1 340.512 1.658 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654562976 452646935 /nfs/dbraw/zinc/64/69/35/452646935.db2.gz UVHQFLIBDRSRQU-NCOADZHNSA-N 2 1 340.512 1.658 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654562976 452646936 /nfs/dbraw/zinc/64/69/36/452646936.db2.gz UVHQFLIBDRSRQU-NCOADZHNSA-N 2 1 340.512 1.658 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654562976 452646938 /nfs/dbraw/zinc/64/69/38/452646938.db2.gz UVHQFLIBDRSRQU-NCOADZHNSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655906863 452664357 /nfs/dbraw/zinc/66/43/57/452664357.db2.gz CQEYAGAQSJBAJP-SOUVJXGZSA-N 2 1 346.475 1.952 20 0 EDADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655906863 452664365 /nfs/dbraw/zinc/66/43/65/452664365.db2.gz CQEYAGAQSJBAJP-SOUVJXGZSA-N 2 1 346.475 1.952 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000652486672 452680510 /nfs/dbraw/zinc/68/05/10/452680510.db2.gz SWYWPIHOAGSXQS-INIZCTEOSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000652486672 452680520 /nfs/dbraw/zinc/68/05/20/452680520.db2.gz SWYWPIHOAGSXQS-INIZCTEOSA-N 2 1 340.512 1.022 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)c1 ZINC000655920868 452684159 /nfs/dbraw/zinc/68/41/59/452684159.db2.gz LKFZRHALRQMSNG-NSHDSACASA-N 2 1 331.342 1.111 20 0 EDADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCc2c[nH]nn2)CC1 ZINC000647970267 452715641 /nfs/dbraw/zinc/71/56/41/452715641.db2.gz JPALZEHVIAVIKY-CQSZACIVSA-N 2 1 346.454 1.979 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000661955228 452718278 /nfs/dbraw/zinc/71/82/78/452718278.db2.gz CUNDTRQXTGWNAU-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970249 452752304 /nfs/dbraw/zinc/75/23/04/452752304.db2.gz FWLBFIATPJASML-CAOSSQGBSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970249 452752310 /nfs/dbraw/zinc/75/23/10/452752310.db2.gz FWLBFIATPJASML-CAOSSQGBSA-N 2 1 326.485 1.255 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@]2(OCCO)CCOC2)cc1 ZINC000658148022 452755008 /nfs/dbraw/zinc/75/50/08/452755008.db2.gz IZEYNENCIACGNZ-HNAYVOBHSA-N 2 1 345.443 1.999 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655487 452764845 /nfs/dbraw/zinc/76/48/45/452764845.db2.gz IDINKRLLFDMCCW-ZOFXXKQRSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655487 452764852 /nfs/dbraw/zinc/76/48/52/452764852.db2.gz IDINKRLLFDMCCW-ZOFXXKQRSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655487 452764859 /nfs/dbraw/zinc/76/48/59/452764859.db2.gz IDINKRLLFDMCCW-ZOFXXKQRSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655487 452764864 /nfs/dbraw/zinc/76/48/64/452764864.db2.gz IDINKRLLFDMCCW-ZOFXXKQRSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655229 452764919 /nfs/dbraw/zinc/76/49/19/452764919.db2.gz DZHJPQTUSIJKHB-LVQVYYBASA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655229 452764927 /nfs/dbraw/zinc/76/49/27/452764927.db2.gz DZHJPQTUSIJKHB-LVQVYYBASA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@H]1CCC[NH+]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655229 452764933 /nfs/dbraw/zinc/76/49/33/452764933.db2.gz DZHJPQTUSIJKHB-LVQVYYBASA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@H]1CCC[NH+]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655229 452764941 /nfs/dbraw/zinc/76/49/41/452764941.db2.gz DZHJPQTUSIJKHB-LVQVYYBASA-N 2 1 326.485 1.220 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H]2COC[C@@H]2C1)c1ccccc1 ZINC000662029562 452781839 /nfs/dbraw/zinc/78/18/39/452781839.db2.gz BCQBNXNRXXWYCE-OKZBNKHCSA-N 2 1 331.460 1.374 20 0 EDADMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000648167617 452877307 /nfs/dbraw/zinc/87/73/07/452877307.db2.gz DMJIXTVNLRLOLF-SLHNCBLASA-N 2 1 339.483 1.965 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@H](c2nccn2C)C(C)(C)CO)CC[N@H+]1C ZINC000664215407 452889666 /nfs/dbraw/zinc/88/96/66/452889666.db2.gz BMCCDXKYWWIKLB-HZSPNIEDSA-N 2 1 337.468 1.262 20 0 EDADMP CN(C)C(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)[nH]1 ZINC000650723830 452951610 /nfs/dbraw/zinc/95/16/10/452951610.db2.gz URYHRUIAMCXLEJ-XYPHTWIQSA-N 2 1 334.464 1.577 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000662243514 452969348 /nfs/dbraw/zinc/96/93/48/452969348.db2.gz MLRWTSIRUNYKCS-GFCCVEGCSA-N 2 1 343.443 1.844 20 0 EDADMP CN(c1nc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cs1)C1CC1 ZINC000662242756 452969735 /nfs/dbraw/zinc/96/97/35/452969735.db2.gz IRRNALSCIYRJMT-GFCCVEGCSA-N 2 1 337.493 1.029 20 0 EDADMP CN(c1nc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cs1)C1CC1 ZINC000662242756 452969745 /nfs/dbraw/zinc/96/97/45/452969745.db2.gz IRRNALSCIYRJMT-GFCCVEGCSA-N 2 1 337.493 1.029 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000652814139 452970711 /nfs/dbraw/zinc/97/07/11/452970711.db2.gz RXWOHBOENKZNMH-RTBURBONSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000652814139 452970718 /nfs/dbraw/zinc/97/07/18/452970718.db2.gz RXWOHBOENKZNMH-RTBURBONSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000652814139 452970729 /nfs/dbraw/zinc/97/07/29/452970729.db2.gz RXWOHBOENKZNMH-RTBURBONSA-N 2 1 345.487 1.829 20 0 EDADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCN(CCc2ccccn2)CC1 ZINC000662259919 452987892 /nfs/dbraw/zinc/98/78/92/452987892.db2.gz DQENOENZDSLRRE-LJQANCHMSA-N 2 1 344.503 1.541 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CC2)C1 ZINC000646002829 452997346 /nfs/dbraw/zinc/99/73/46/452997346.db2.gz GTPQVNRVPQHFBN-RCCFBDPRSA-N 2 1 336.524 1.523 20 0 EDADMP COc1ccnc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1OC ZINC000662285122 453009328 /nfs/dbraw/zinc/00/93/28/453009328.db2.gz XIIFKXFLUIZKNB-UNEWFSDZSA-N 2 1 335.448 1.960 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cc(C)ncn3)CC2)CC1 ZINC000654965611 453083193 /nfs/dbraw/zinc/08/31/93/453083193.db2.gz GCMHYBFLOJGEPK-UHFFFAOYSA-N 2 1 345.491 1.598 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@H+](CCc1nnnn1-c1ccccc1)CCO2 ZINC000646104069 453107383 /nfs/dbraw/zinc/10/73/83/453107383.db2.gz ZEKKJQNAEOXAKF-UHFFFAOYSA-N 2 1 342.447 1.001 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](CCc1nnnn1-c1ccccc1)CCO2 ZINC000646104069 453107386 /nfs/dbraw/zinc/10/73/86/453107386.db2.gz ZEKKJQNAEOXAKF-UHFFFAOYSA-N 2 1 342.447 1.001 20 0 EDADMP COCC[N@H+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C(C)(C)C1 ZINC000652926863 453109667 /nfs/dbraw/zinc/10/96/67/453109667.db2.gz PVVWDBCACRDCLF-UHFFFAOYSA-N 2 1 334.464 1.477 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662406070 453118573 /nfs/dbraw/zinc/11/85/73/453118573.db2.gz UFBBGIYNFSTRLC-GFCCVEGCSA-N 2 1 345.472 1.336 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662406070 453118582 /nfs/dbraw/zinc/11/85/82/453118582.db2.gz UFBBGIYNFSTRLC-GFCCVEGCSA-N 2 1 345.472 1.336 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000666761718 453126098 /nfs/dbraw/zinc/12/60/98/453126098.db2.gz ZLUKRLDLGQVZMF-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CC[C@H](O)C3)CC2)CC1 ZINC000655023100 453146368 /nfs/dbraw/zinc/14/63/68/453146368.db2.gz RXJJYMLFVLOILH-QAPCUYQASA-N 2 1 337.508 1.460 20 0 EDADMP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000656381180 453152740 /nfs/dbraw/zinc/15/27/40/453152740.db2.gz VKGNBGQCCZNYTE-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000656381180 453152748 /nfs/dbraw/zinc/15/27/48/453152748.db2.gz VKGNBGQCCZNYTE-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP C[N@@H+](CCNC(=O)C(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000666804279 453157620 /nfs/dbraw/zinc/15/76/20/453157620.db2.gz KTGNVYHOXUUKDD-UHFFFAOYSA-N 2 1 332.448 1.465 20 0 EDADMP C[N@@H+](CCn1cc(CN2CC[NH+](C)CC2)nn1)Cc1cccc(F)c1 ZINC000656450506 453192454 /nfs/dbraw/zinc/19/24/54/453192454.db2.gz WWVHBOBOLJKKKF-UHFFFAOYSA-N 2 1 346.454 1.297 20 0 EDADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000662492709 453209752 /nfs/dbraw/zinc/20/97/52/453209752.db2.gz ZJUXVDIGFMEFDU-CYBMUJFWSA-N 2 1 335.473 1.188 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000662497308 453212637 /nfs/dbraw/zinc/21/26/37/453212637.db2.gz RJGHOKQZPQKWGW-PBHICJAKSA-N 2 1 335.448 1.392 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000662497308 453212643 /nfs/dbraw/zinc/21/26/43/453212643.db2.gz RJGHOKQZPQKWGW-PBHICJAKSA-N 2 1 335.448 1.392 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000648785985 453270086 /nfs/dbraw/zinc/27/00/86/453270086.db2.gz MGTQCUFNNCBUMS-DLBZAZTESA-N 2 1 347.507 1.635 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000648785985 453270096 /nfs/dbraw/zinc/27/00/96/453270096.db2.gz MGTQCUFNNCBUMS-DLBZAZTESA-N 2 1 347.507 1.635 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000660403702 453280364 /nfs/dbraw/zinc/28/03/64/453280364.db2.gz SLKJUJDBLLDLQJ-OAHLLOKOSA-N 2 1 326.485 1.271 20 0 EDADMP CN(C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000666972950 453287687 /nfs/dbraw/zinc/28/76/87/453287687.db2.gz LSXSXOUNYJGQTE-DLBZAZTESA-N 2 1 336.480 1.118 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CCCO1 ZINC000662574801 453301489 /nfs/dbraw/zinc/30/14/89/453301489.db2.gz KRAXYVVWUQIUIE-MFKMUULPSA-N 2 1 342.237 1.025 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653114012 453301942 /nfs/dbraw/zinc/30/19/42/453301942.db2.gz VTVQGEOOMPHBCY-VKJFTORMSA-N 2 1 349.500 1.312 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1)[NH+]1CCOCC1 ZINC000653117716 453306226 /nfs/dbraw/zinc/30/62/26/453306226.db2.gz UMHIAFPSDVJBGC-ALKREAHSSA-N 2 1 345.443 1.254 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000664676318 453310324 /nfs/dbraw/zinc/31/03/24/453310324.db2.gz ZMQCXBRPIOGDIH-XIRDDKMYSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000664676318 453310329 /nfs/dbraw/zinc/31/03/29/453310329.db2.gz ZMQCXBRPIOGDIH-XIRDDKMYSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000653122437 453313552 /nfs/dbraw/zinc/31/35/52/453313552.db2.gz WXSHFHHJYPNFIF-UHOSZYNNSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000653122437 453313557 /nfs/dbraw/zinc/31/35/57/453313557.db2.gz WXSHFHHJYPNFIF-UHOSZYNNSA-N 2 1 345.487 1.782 20 0 EDADMP c1cc(N2CCC([C@H]3CCC[NH2+]C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000656609898 453317501 /nfs/dbraw/zinc/31/75/01/453317501.db2.gz ZFFHZBPRHYZTGS-INIZCTEOSA-N 2 1 331.464 1.529 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccccc3CC[NH3+])CC2)C1 ZINC000653125341 453320051 /nfs/dbraw/zinc/32/00/51/453320051.db2.gz WPZMYNQEQCCYFX-QGZVFWFLSA-N 2 1 330.476 1.040 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653150314 453338485 /nfs/dbraw/zinc/33/84/85/453338485.db2.gz YRWUGVWLTHJMCB-FGTMMUONSA-N 2 1 334.508 1.146 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000653154624 453343871 /nfs/dbraw/zinc/34/38/71/453343871.db2.gz XCLNWSMIEBPXKL-QZTJIDSGSA-N 2 1 332.492 1.388 20 0 EDADMP NC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648868393 453344082 /nfs/dbraw/zinc/34/40/82/453344082.db2.gz IRAKEDZXKIIDFA-QGZVFWFLSA-N 2 1 347.459 1.237 20 0 EDADMP NC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648868393 453344087 /nfs/dbraw/zinc/34/40/87/453344087.db2.gz IRAKEDZXKIIDFA-QGZVFWFLSA-N 2 1 347.459 1.237 20 0 EDADMP Cc1ccc(NC(=O)[C@@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)nc1 ZINC000656698903 453376914 /nfs/dbraw/zinc/37/69/14/453376914.db2.gz COBHMFJSQNNTFH-SJORKVTESA-N 2 1 348.491 1.742 20 0 EDADMP Cc1ccc(NC(=O)[C@@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)nc1 ZINC000656698903 453376921 /nfs/dbraw/zinc/37/69/21/453376921.db2.gz COBHMFJSQNNTFH-SJORKVTESA-N 2 1 348.491 1.742 20 0 EDADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)nc1 ZINC000656698903 453376926 /nfs/dbraw/zinc/37/69/26/453376926.db2.gz COBHMFJSQNNTFH-SJORKVTESA-N 2 1 348.491 1.742 20 0 EDADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)nc1 ZINC000656698903 453376932 /nfs/dbraw/zinc/37/69/32/453376932.db2.gz COBHMFJSQNNTFH-SJORKVTESA-N 2 1 348.491 1.742 20 0 EDADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000662663409 453377344 /nfs/dbraw/zinc/37/73/44/453377344.db2.gz FJHSHWDIWCLMSH-SJLPKXTDSA-N 2 1 329.444 1.544 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662675935 453394310 /nfs/dbraw/zinc/39/43/10/453394310.db2.gz QYTKRASMUCJPBU-LZQZEXGQSA-N 2 1 345.487 1.899 20 0 EDADMP [NH3+]CC12CC(C1)CN2C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662684448 453404408 /nfs/dbraw/zinc/40/44/08/453404408.db2.gz ZANPQBKMWVKVJQ-UHFFFAOYSA-N 2 1 342.262 1.677 20 0 EDADMP C[N@@H+]1CCN(C(=O)COC2CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000653254068 453438354 /nfs/dbraw/zinc/43/83/54/453438354.db2.gz HKQYOTWFYOPTGK-KRWDZBQOSA-N 2 1 331.460 1.140 20 0 EDADMP C[N@H+]1CCN(C(=O)COC2CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000653254068 453438361 /nfs/dbraw/zinc/43/83/61/453438361.db2.gz HKQYOTWFYOPTGK-KRWDZBQOSA-N 2 1 331.460 1.140 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000667170105 453451391 /nfs/dbraw/zinc/45/13/91/453451391.db2.gz OHDRUAKYWBQUKK-OAHLLOKOSA-N 2 1 332.448 1.287 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000667170105 453451398 /nfs/dbraw/zinc/45/13/98/453451398.db2.gz OHDRUAKYWBQUKK-OAHLLOKOSA-N 2 1 332.448 1.287 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662758516 453495752 /nfs/dbraw/zinc/49/57/52/453495752.db2.gz SIWYPTLQJORMOC-AEFFLSMTSA-N 2 1 344.503 1.701 20 0 EDADMP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[NH+](CCc2cccs2)CC1 ZINC000655444655 453531608 /nfs/dbraw/zinc/53/16/08/453531608.db2.gz MFXVZXFJCHRWFE-WMZOPIPTSA-N 2 1 333.501 1.825 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662844694 453567355 /nfs/dbraw/zinc/56/73/55/453567355.db2.gz AHNODBWGRLXDCR-QAPCUYQASA-N 2 1 331.460 1.933 20 0 EDADMP [NH3+]CC1(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CCCC1 ZINC000662860969 453576752 /nfs/dbraw/zinc/57/67/52/453576752.db2.gz WHNMHSQHLNXRSI-QGZVFWFLSA-N 2 1 331.460 1.389 20 0 EDADMP O=C(NCc1ccc2c[nH+]cn2c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000665112269 453578702 /nfs/dbraw/zinc/57/87/02/453578702.db2.gz SDRTWEYZCGYYPF-QGZVFWFLSA-N 2 1 343.431 1.075 20 0 EDADMP O=C(NCc1ccc2c[nH+]cn2c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000665112268 453578914 /nfs/dbraw/zinc/57/89/14/453578914.db2.gz SDRTWEYZCGYYPF-KRWDZBQOSA-N 2 1 343.431 1.075 20 0 EDADMP CN(C(=O)CCC1CC[NH2+]CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900520 453593104 /nfs/dbraw/zinc/59/31/04/453593104.db2.gz MQMCXJKRRXYTEJ-SFHVURJKSA-N 2 1 336.524 1.393 20 0 EDADMP CN(C(=O)CCC1CC[NH2+]CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900520 453593108 /nfs/dbraw/zinc/59/31/08/453593108.db2.gz MQMCXJKRRXYTEJ-SFHVURJKSA-N 2 1 336.524 1.393 20 0 EDADMP [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@H]3C[N@H+]4CCN3CCC4)cc21 ZINC000662907938 453597400 /nfs/dbraw/zinc/59/74/00/453597400.db2.gz RGMYNGIKWCDSJW-MSOLQXFVSA-N 2 1 342.487 1.185 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1([NH2+]C2CC2)CCC1 ZINC000662912659 453599848 /nfs/dbraw/zinc/59/98/48/453599848.db2.gz LDJNVEKTNXLVTC-HZPDHXFCSA-N 2 1 333.476 1.421 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000665217356 453611007 /nfs/dbraw/zinc/61/10/07/453611007.db2.gz GWBNRAPGZAJNBS-QGZVFWFLSA-N 2 1 342.528 1.717 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cnccc1N ZINC000665240318 453620133 /nfs/dbraw/zinc/62/01/33/453620133.db2.gz IBNLBZMRBRKUHD-YOEHRIQHSA-N 2 1 326.444 1.912 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000659092709 453625991 /nfs/dbraw/zinc/62/59/91/453625991.db2.gz YMNXOXUWWILEKF-CYBMUJFWSA-N 2 1 344.459 1.465 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659095328 453627535 /nfs/dbraw/zinc/62/75/35/453627535.db2.gz CEOWNHGRGXXELQ-AWEZNQCLSA-N 2 1 332.448 1.381 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)c1ccccc1 ZINC000661203856 453757571 /nfs/dbraw/zinc/75/75/71/453757571.db2.gz VOYZNKAHEMEDRS-RDGPPVDQSA-N 2 1 345.487 1.498 20 0 EDADMP COCc1csc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000657349475 453771507 /nfs/dbraw/zinc/77/15/07/453771507.db2.gz IGBVBOBGYZQOSM-CQSZACIVSA-N 2 1 325.478 1.572 20 0 EDADMP COCc1csc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000657349475 453771509 /nfs/dbraw/zinc/77/15/09/453771509.db2.gz IGBVBOBGYZQOSM-CQSZACIVSA-N 2 1 325.478 1.572 20 0 EDADMP C[C@@H](CCNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000663486534 453807486 /nfs/dbraw/zinc/80/74/86/453807486.db2.gz JNKNAUMZYFFIGV-INIZCTEOSA-N 2 1 348.491 1.658 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661409366 453814411 /nfs/dbraw/zinc/81/44/11/453814411.db2.gz VECULTKQMNRANB-HOTGVXAUSA-N 2 1 338.496 1.412 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000683369926 486698616 /nfs/dbraw/zinc/69/86/16/486698616.db2.gz UHGLWSBFHAHKIY-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000683369926 486698620 /nfs/dbraw/zinc/69/86/20/486698620.db2.gz UHGLWSBFHAHKIY-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000683369926 486698624 /nfs/dbraw/zinc/69/86/24/486698624.db2.gz UHGLWSBFHAHKIY-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC[C@H]1C ZINC000676242197 486702979 /nfs/dbraw/zinc/70/29/79/486702979.db2.gz AHCWFMTVLHTHBL-FXUDXRNXSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC[C@H]1C ZINC000676242197 486702983 /nfs/dbraw/zinc/70/29/83/486702983.db2.gz AHCWFMTVLHTHBL-FXUDXRNXSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@@H+]1CCCC[C@H]1C ZINC000676242197 486702986 /nfs/dbraw/zinc/70/29/86/486702986.db2.gz AHCWFMTVLHTHBL-FXUDXRNXSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@H+]1CCCC[C@H]1C ZINC000676242197 486702990 /nfs/dbraw/zinc/70/29/90/486702990.db2.gz AHCWFMTVLHTHBL-FXUDXRNXSA-N 2 1 326.485 1.268 20 0 EDADMP Cc1cccc2nc(CNC(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)cn21 ZINC000676245079 486705640 /nfs/dbraw/zinc/70/56/40/486705640.db2.gz DPOUKSVIBUHTEM-ZFWWWQNUSA-N 2 1 331.420 1.161 20 0 EDADMP C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676246184 486705937 /nfs/dbraw/zinc/70/59/37/486705937.db2.gz RPYJRDQBNIKZGR-SOUVJXGZSA-N 2 1 328.501 1.371 20 0 EDADMP C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246184 486705939 /nfs/dbraw/zinc/70/59/39/486705939.db2.gz RPYJRDQBNIKZGR-SOUVJXGZSA-N 2 1 328.501 1.371 20 0 EDADMP C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000676289410 486721131 /nfs/dbraw/zinc/72/11/31/486721131.db2.gz ZMHPDWGZWYCTKD-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000676289410 486721138 /nfs/dbraw/zinc/72/11/38/486721138.db2.gz ZMHPDWGZWYCTKD-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1CCCC[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000676289410 486721142 /nfs/dbraw/zinc/72/11/42/486721142.db2.gz ZMHPDWGZWYCTKD-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1CCCC[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000676289410 486721148 /nfs/dbraw/zinc/72/11/48/486721148.db2.gz ZMHPDWGZWYCTKD-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@H]1C[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000318899862 486814059 /nfs/dbraw/zinc/81/40/59/486814059.db2.gz QGRCSPFPCVZMJW-HOCLYGCPSA-N 2 1 325.478 1.496 20 0 EDADMP CC[C@H]1C[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000318899862 486814065 /nfs/dbraw/zinc/81/40/65/486814065.db2.gz QGRCSPFPCVZMJW-HOCLYGCPSA-N 2 1 325.478 1.496 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000431019384 486902568 /nfs/dbraw/zinc/90/25/68/486902568.db2.gz ONCYSHBPZNSLHE-NXHRZFHOSA-N 2 1 330.476 1.441 20 0 EDADMP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[C@@H]1CCOC1 ZINC000681208995 486973475 /nfs/dbraw/zinc/97/34/75/486973475.db2.gz QUUUBBVEUZBXJR-FUHWJXTLSA-N 2 1 333.476 1.764 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccnn1C(F)F ZINC000667812758 486977761 /nfs/dbraw/zinc/97/77/61/486977761.db2.gz VZZGMDVZPJATHA-CYBMUJFWSA-N 2 1 343.422 1.766 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000684391525 487047402 /nfs/dbraw/zinc/04/74/02/487047402.db2.gz XVQFXENDULCRMM-OAHLLOKOSA-N 2 1 347.463 1.406 20 0 EDADMP C[NH+](C)CCOc1ccc(C[NH+]2CCN(c3cnccn3)CC2)cc1 ZINC000678144579 487257902 /nfs/dbraw/zinc/25/79/02/487257902.db2.gz MYLVUNKQXODOST-UHFFFAOYSA-N 2 1 341.459 1.739 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000685470748 487280536 /nfs/dbraw/zinc/28/05/36/487280536.db2.gz PFARUJVGDQYSGR-RDJZCZTQSA-N 2 1 337.489 1.974 20 0 EDADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000685470748 487280538 /nfs/dbraw/zinc/28/05/38/487280538.db2.gz PFARUJVGDQYSGR-RDJZCZTQSA-N 2 1 337.489 1.974 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000685470748 487280542 /nfs/dbraw/zinc/28/05/42/487280542.db2.gz PFARUJVGDQYSGR-RDJZCZTQSA-N 2 1 337.489 1.974 20 0 EDADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000685470748 487280545 /nfs/dbraw/zinc/28/05/45/487280545.db2.gz PFARUJVGDQYSGR-RDJZCZTQSA-N 2 1 337.489 1.974 20 0 EDADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000685470748 487280548 /nfs/dbraw/zinc/28/05/48/487280548.db2.gz PFARUJVGDQYSGR-RDJZCZTQSA-N 2 1 337.489 1.974 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000682111760 487304378 /nfs/dbraw/zinc/30/43/78/487304378.db2.gz KGVBYXGLTYRALC-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000682419429 487361114 /nfs/dbraw/zinc/36/11/14/487361114.db2.gz VWUUFGIBPQQNAK-CRAIPNDOSA-N 2 1 348.491 1.309 20 0 EDADMP C[C@@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000682419429 487361119 /nfs/dbraw/zinc/36/11/19/487361119.db2.gz VWUUFGIBPQQNAK-CRAIPNDOSA-N 2 1 348.491 1.309 20 0 EDADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000343714732 485937370 /nfs/dbraw/zinc/93/73/70/485937370.db2.gz BPOCDOKESZKGEL-KURKYZTESA-N 2 1 335.492 1.430 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000669366022 486013244 /nfs/dbraw/zinc/01/32/44/486013244.db2.gz HMYOHERNBSHWEI-OAGGEKHMSA-N 2 1 326.485 1.256 20 0 EDADMP CC1(C)CN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1CCO ZINC000673053655 486077131 /nfs/dbraw/zinc/07/71/31/486077131.db2.gz AYYDOHDRIFJGIU-UHFFFAOYSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCO1 ZINC000669405732 486077435 /nfs/dbraw/zinc/07/74/35/486077435.db2.gz XGTBPEWVSZMSJV-ONIAQPFYSA-N 2 1 346.475 1.580 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433391772 486094518 /nfs/dbraw/zinc/09/45/18/486094518.db2.gz XEQLGXORSSIULX-UXLLHSPISA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433391772 486094522 /nfs/dbraw/zinc/09/45/22/486094522.db2.gz XEQLGXORSSIULX-UXLLHSPISA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433391772 486094529 /nfs/dbraw/zinc/09/45/29/486094529.db2.gz XEQLGXORSSIULX-UXLLHSPISA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000669418664 486137743 /nfs/dbraw/zinc/13/77/43/486137743.db2.gz XXXSBWVKOXNVIB-CRAIPNDOSA-N 2 1 330.476 1.875 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000669420301 486139947 /nfs/dbraw/zinc/13/99/47/486139947.db2.gz IPQHHGMATCYARH-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](OCCC(C)C)C2)CC1 ZINC000083246960 486197477 /nfs/dbraw/zinc/19/74/77/486197477.db2.gz FANYHKRJFXTCIC-QGZVFWFLSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](OCCC(C)C)C2)CC1 ZINC000083246960 486197483 /nfs/dbraw/zinc/19/74/83/486197483.db2.gz FANYHKRJFXTCIC-QGZVFWFLSA-N 2 1 325.497 1.724 20 0 EDADMP O=C(NCC1C[NH2+]C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000669474484 486227839 /nfs/dbraw/zinc/22/78/39/486227839.db2.gz WSRMNYCYHMJQFP-AYHJJNSGSA-N 2 1 328.460 1.701 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000669511482 486294997 /nfs/dbraw/zinc/29/49/97/486294997.db2.gz LVGXNKBFSMIRLB-XYJFISCASA-N 2 1 348.491 1.655 20 0 EDADMP C[C@@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494670 490998454 /nfs/dbraw/zinc/99/84/54/490998454.db2.gz FKLQGCMHQMHWDK-HYVNUMGLSA-N 2 1 332.448 1.019 20 0 EDADMP C[C@@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494670 490998455 /nfs/dbraw/zinc/99/84/55/490998455.db2.gz FKLQGCMHQMHWDK-HYVNUMGLSA-N 2 1 332.448 1.019 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000683375567 491012539 /nfs/dbraw/zinc/01/25/39/491012539.db2.gz DRWUXPOPXCEGEJ-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000128720737 491017725 /nfs/dbraw/zinc/01/77/25/491017725.db2.gz YKCZAFZXIHEYGT-CGTJXYLNSA-N 2 1 348.491 1.178 20 0 EDADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000567822538 518200546 /nfs/dbraw/zinc/20/05/46/518200546.db2.gz AOIIFDMEWRIEAX-IPMKNSEASA-N 2 1 343.471 1.633 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188740187 525380855 /nfs/dbraw/zinc/38/08/55/525380855.db2.gz LCIJOABVHFIXQK-BETUJISGSA-N 2 1 333.480 1.542 20 0 EDADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000131465629 528112930 /nfs/dbraw/zinc/11/29/30/528112930.db2.gz REIRNRPPAJVUFH-AWEZNQCLSA-N 2 1 327.494 1.977 20 0 EDADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)N3CCOCC3)C2)CC1 ZINC000154712941 528253679 /nfs/dbraw/zinc/25/36/79/528253679.db2.gz CHOVINSLSXOCBR-SFHVURJKSA-N 2 1 337.508 1.679 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000262319827 535144038 /nfs/dbraw/zinc/14/40/38/535144038.db2.gz CNAGJQWYKFKQOE-XIRDDKMYSA-N 2 1 325.497 1.628 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346885068 535210163 /nfs/dbraw/zinc/21/01/63/535210163.db2.gz YAYAASHMIVHHPH-NZSAHSFTSA-N 2 1 345.487 1.732 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346885068 535210165 /nfs/dbraw/zinc/21/01/65/535210165.db2.gz YAYAASHMIVHHPH-NZSAHSFTSA-N 2 1 345.487 1.732 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346885068 535210169 /nfs/dbraw/zinc/21/01/69/535210169.db2.gz YAYAASHMIVHHPH-NZSAHSFTSA-N 2 1 345.487 1.732 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346885068 535210172 /nfs/dbraw/zinc/21/01/72/535210172.db2.gz YAYAASHMIVHHPH-NZSAHSFTSA-N 2 1 345.487 1.732 20 0 EDADMP CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[NH+](C)C ZINC000248390371 535420792 /nfs/dbraw/zinc/42/07/92/535420792.db2.gz TZPVVZNSUKHYQX-ROUUACIJSA-N 2 1 333.476 1.600 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000262719840 535522556 /nfs/dbraw/zinc/52/25/56/535522556.db2.gz YJOXMPZLRBSFJH-LJQANCHMSA-N 2 1 332.492 1.785 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000130892682 535565170 /nfs/dbraw/zinc/56/51/70/535565170.db2.gz BYFZPSOPZNBFSN-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000130892682 535565175 /nfs/dbraw/zinc/56/51/75/535565175.db2.gz BYFZPSOPZNBFSN-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000130892682 535565182 /nfs/dbraw/zinc/56/51/82/535565182.db2.gz BYFZPSOPZNBFSN-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000130892682 535565187 /nfs/dbraw/zinc/56/51/87/535565187.db2.gz BYFZPSOPZNBFSN-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CCOCC[N@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245530681 535572520 /nfs/dbraw/zinc/57/25/20/535572520.db2.gz GNTMLFBSTXSUCY-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP CCOCC[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245530681 535572523 /nfs/dbraw/zinc/57/25/23/535572523.db2.gz GNTMLFBSTXSUCY-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP CCOCC[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245530681 535572528 /nfs/dbraw/zinc/57/25/28/535572528.db2.gz GNTMLFBSTXSUCY-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP CCOCC[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245530681 535572531 /nfs/dbraw/zinc/57/25/31/535572531.db2.gz GNTMLFBSTXSUCY-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)C(C)(C)C)CC2)CC1 ZINC000340288722 535613821 /nfs/dbraw/zinc/61/38/21/535613821.db2.gz PRICFUOOPQYXOG-KRWDZBQOSA-N 2 1 339.524 1.660 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)cn1 ZINC000333756019 536052270 /nfs/dbraw/zinc/05/22/70/536052270.db2.gz ZTKRBVAOKOIUOB-DLBZAZTESA-N 2 1 348.495 1.390 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)cn1 ZINC000333756019 536052276 /nfs/dbraw/zinc/05/22/76/536052276.db2.gz ZTKRBVAOKOIUOB-DLBZAZTESA-N 2 1 348.495 1.390 20 0 EDADMP COCCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261874460 536731694 /nfs/dbraw/zinc/73/16/94/536731694.db2.gz DLIGASFMGCAKBT-KZNAEPCWSA-N 2 1 334.460 1.959 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000726188507 578336081 /nfs/dbraw/zinc/33/60/81/578336081.db2.gz GCTAUCNGPGJBQI-UHFFFAOYSA-N 2 1 333.480 1.900 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=S)NCC[NH+](C)C)C2)nc(C)[nH+]1 ZINC000731322106 578673782 /nfs/dbraw/zinc/67/37/82/578673782.db2.gz UIZLAUFTVQKDCI-AWEZNQCLSA-N 2 1 336.509 1.088 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734271952 578803953 /nfs/dbraw/zinc/80/39/53/578803953.db2.gz NXWASIZMTWDHDE-INIZCTEOSA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)o1 ZINC000747231317 579634616 /nfs/dbraw/zinc/63/46/16/579634616.db2.gz HPFBDVXVNCQXJM-HOCLYGCPSA-N 2 1 335.448 1.714 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000749510193 579728923 /nfs/dbraw/zinc/72/89/23/579728923.db2.gz XQIIIFLTGBWUOK-QGZVFWFLSA-N 2 1 325.497 1.679 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)NC[C@H]2CCOC2)CC1 ZINC000749682567 579734705 /nfs/dbraw/zinc/73/47/05/579734705.db2.gz JZHCWHJVEOGLRV-CYBMUJFWSA-N 2 1 335.477 1.156 20 0 EDADMP CC(C)C[C@@H]1CCC(=O)N(C[N@@H+]2CC[C@@H](c3nccn3C)C2)C1=O ZINC000755789456 579935170 /nfs/dbraw/zinc/93/51/70/579935170.db2.gz NGWIZBWBMAYKSZ-LSDHHAIUSA-N 2 1 332.448 1.978 20 0 EDADMP CC(C)C[C@@H]1CCC(=O)N(C[N@H+]2CC[C@@H](c3nccn3C)C2)C1=O ZINC000755789456 579935171 /nfs/dbraw/zinc/93/51/71/579935171.db2.gz NGWIZBWBMAYKSZ-LSDHHAIUSA-N 2 1 332.448 1.978 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000756815402 579957544 /nfs/dbraw/zinc/95/75/44/579957544.db2.gz ZWFSEYHIRFUSRY-HZPDHXFCSA-N 2 1 326.554 1.913 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000756815402 579957545 /nfs/dbraw/zinc/95/75/45/579957545.db2.gz ZWFSEYHIRFUSRY-HZPDHXFCSA-N 2 1 326.554 1.913 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000756815402 579957546 /nfs/dbraw/zinc/95/75/46/579957546.db2.gz ZWFSEYHIRFUSRY-HZPDHXFCSA-N 2 1 326.554 1.913 20 0 EDADMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)C[C@](C)(c2ccccc2)C1=O ZINC000763315629 580097433 /nfs/dbraw/zinc/09/74/33/580097433.db2.gz BGKAKFZOPQYTRX-HXUWFJFHSA-N 2 1 343.471 1.934 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)C[C@](C)(c2ccccc2)C1=O ZINC000763315629 580097434 /nfs/dbraw/zinc/09/74/34/580097434.db2.gz BGKAKFZOPQYTRX-HXUWFJFHSA-N 2 1 343.471 1.934 20 0 EDADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000764249227 580116515 /nfs/dbraw/zinc/11/65/15/580116515.db2.gz ZRAWAGWMMBSGPW-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP CCC[C@H]1CN(C(=S)NCCC[NH+](C)C)CC[N@H+]1CCOC ZINC000766698969 580172138 /nfs/dbraw/zinc/17/21/38/580172138.db2.gz FCIBWEILZOFXJQ-HNNXBMFYSA-N 2 1 330.542 1.245 20 0 EDADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000769919404 580248535 /nfs/dbraw/zinc/24/85/35/580248535.db2.gz KYRDKXPZAJWPFV-DLBZAZTESA-N 2 1 328.460 1.957 20 0 EDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000769919404 580248536 /nfs/dbraw/zinc/24/85/36/580248536.db2.gz KYRDKXPZAJWPFV-DLBZAZTESA-N 2 1 328.460 1.957 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2nc(-c3ccoc3)no2)C1 ZINC000779655874 580493610 /nfs/dbraw/zinc/49/36/10/580493610.db2.gz WEKRRXJRWWTZRK-GFCCVEGCSA-N 2 1 335.364 1.437 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2nc(-c3ccoc3)no2)C1 ZINC000779655874 580493611 /nfs/dbraw/zinc/49/36/11/580493611.db2.gz WEKRRXJRWWTZRK-GFCCVEGCSA-N 2 1 335.364 1.437 20 0 EDADMP C[NH+]1CCC2(CCCN(c3nc(N4CCOCC4)cc[nH+]3)C2)CC1 ZINC000798405435 580996465 /nfs/dbraw/zinc/99/64/65/580996465.db2.gz HORLDWMIVDCJST-UHFFFAOYSA-N 2 1 331.464 1.625 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)COC[C@H]3CCCO3)C2)CC1 ZINC000799178069 581021438 /nfs/dbraw/zinc/02/14/38/581021438.db2.gz FUDVBERJGRDSAI-IAGOWNOFSA-N 2 1 326.481 1.351 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cn2)[C@@H](C)C1 ZINC000799322276 581025523 /nfs/dbraw/zinc/02/55/23/581025523.db2.gz LSJAZOLMGBSWLL-QILLFSRXSA-N 2 1 339.455 1.981 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000891816095 590634406 /nfs/dbraw/zinc/63/44/06/590634406.db2.gz MJYPJXZUVIEHFW-MRXNPFEDSA-N 2 1 348.491 1.768 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCCO1 ZINC000891857709 590659891 /nfs/dbraw/zinc/65/98/91/590659891.db2.gz DQFLCFHUSMNGQS-KBPBESRZSA-N 2 1 348.438 1.031 20 0 EDADMP C[NH+]1CCC(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000891949074 590702363 /nfs/dbraw/zinc/70/23/63/590702363.db2.gz LLKNCXXOZVGKAU-UHFFFAOYSA-N 3 1 336.524 1.204 20 0 EDADMP C[C@@]12CN(C(=O)NC[C@H]([NH3+])C3CC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000892051260 590772608 /nfs/dbraw/zinc/77/26/08/590772608.db2.gz QEVWWYQZDVDPIC-CMKODMSKSA-N 2 1 342.487 1.887 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000892148048 590821529 /nfs/dbraw/zinc/82/15/29/590821529.db2.gz RNGQHUJEIRBCPK-YQVWRLOYSA-N 2 1 330.476 1.887 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cn3ccnc3s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000892154554 590826630 /nfs/dbraw/zinc/82/66/30/590826630.db2.gz ZBQSOYAOGWBHMH-ZBFHGGJFSA-N 2 1 333.505 1.854 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cn3ccnc3s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000892154554 590826634 /nfs/dbraw/zinc/82/66/34/590826634.db2.gz ZBQSOYAOGWBHMH-ZBFHGGJFSA-N 2 1 333.505 1.854 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1ccc(F)cc1 ZINC000892164944 590835743 /nfs/dbraw/zinc/83/57/43/590835743.db2.gz NSLKXGRKCPOZRX-UAGQMJEPSA-N 2 1 334.439 1.774 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892265356 590898703 /nfs/dbraw/zinc/89/87/03/590898703.db2.gz NXJDPWCYWICIQO-QGZVFWFLSA-N 2 1 347.507 1.229 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892265356 590898707 /nfs/dbraw/zinc/89/87/07/590898707.db2.gz NXJDPWCYWICIQO-QGZVFWFLSA-N 2 1 347.507 1.229 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000892291293 590919135 /nfs/dbraw/zinc/91/91/35/590919135.db2.gz MKSURPRPAHJNIY-MRXNPFEDSA-N 2 1 334.464 1.440 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892493683 591048282 /nfs/dbraw/zinc/04/82/82/591048282.db2.gz PQUMYTSPMFHWRP-OAHLLOKOSA-N 2 1 340.512 1.517 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892493683 591048285 /nfs/dbraw/zinc/04/82/85/591048285.db2.gz PQUMYTSPMFHWRP-OAHLLOKOSA-N 2 1 340.512 1.517 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1C(F)(F)F ZINC000891365713 591062525 /nfs/dbraw/zinc/06/25/25/591062525.db2.gz NOTOPVHQOWXXOL-LOWVWBTDSA-N 2 1 334.386 1.249 20 0 EDADMP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000892545049 591067536 /nfs/dbraw/zinc/06/75/36/591067536.db2.gz QODFRPJVUMYZOX-HDICACEKSA-N 2 1 330.476 1.814 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C3CCC(C)(O)CC3)cc2)CC1 ZINC000892581843 591080322 /nfs/dbraw/zinc/08/03/22/591080322.db2.gz ADGPMSGHAJIPPT-UHFFFAOYSA-N 2 1 345.487 1.857 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000891534181 591110735 /nfs/dbraw/zinc/11/07/35/591110735.db2.gz LCOBSUKNCNQQSP-WMZOPIPTSA-N 2 1 332.492 1.800 20 0 EDADMP C[NH+]1CC[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000893876988 591125750 /nfs/dbraw/zinc/12/57/50/591125750.db2.gz DHGCYDXXIQLEOY-XDNAFOTISA-N 2 1 328.460 1.635 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCCC[C@H]([NH3+])C3)C2)CC1 ZINC000891561134 591126043 /nfs/dbraw/zinc/12/60/43/591126043.db2.gz URVPGOSCMWQUBG-JKSUJKDBSA-N 2 1 337.512 1.068 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCCCC[C@H]([NH3+])C3)C2)CC1 ZINC000891561134 591126045 /nfs/dbraw/zinc/12/60/45/591126045.db2.gz URVPGOSCMWQUBG-JKSUJKDBSA-N 2 1 337.512 1.068 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000891576709 591132844 /nfs/dbraw/zinc/13/28/44/591132844.db2.gz NMGJJFXLAHWTQW-HZPDHXFCSA-N 2 1 338.496 1.319 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891643864 591165147 /nfs/dbraw/zinc/16/51/47/591165147.db2.gz IQQVMWGGDYNUHS-LEUOFYLZSA-N 2 1 328.460 1.653 20 0 EDADMP Cc1[nH+]ccc(NC[C@H]2CCC[N@H+]2CCCO)c1Br ZINC000894020961 591169052 /nfs/dbraw/zinc/16/90/52/591169052.db2.gz AXVAQYOLUBQKDT-GFCCVEGCSA-N 2 1 328.254 1.833 20 0 EDADMP [NH3+]CC1(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CCCCC1 ZINC000891685905 591185630 /nfs/dbraw/zinc/18/56/30/591185630.db2.gz SJXYDBNNYLRVMA-JKSUJKDBSA-N 2 1 338.496 1.591 20 0 EDADMP CN(C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000892809075 591187656 /nfs/dbraw/zinc/18/76/56/591187656.db2.gz RWILNYORSASMMG-WMZOPIPTSA-N 2 1 328.460 1.579 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000892817412 591192821 /nfs/dbraw/zinc/19/28/21/591192821.db2.gz DIGYHLMCBGDDLJ-YESZJQIVSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCC(C)(C)[NH3+])C[C@@H](C)O1 ZINC000892858055 591206862 /nfs/dbraw/zinc/20/68/62/591206862.db2.gz DQJMYVFRZMNWHG-KFWWJZLASA-N 2 1 326.485 1.397 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891798377 591227875 /nfs/dbraw/zinc/22/78/75/591227875.db2.gz MOUCVKNKGOSEDX-NRSFXHEJSA-N 2 1 328.460 1.653 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000895665589 591246213 /nfs/dbraw/zinc/24/62/13/591246213.db2.gz DIWKWZQSNIXRMO-YESZJQIVSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000895665589 591246215 /nfs/dbraw/zinc/24/62/15/591246215.db2.gz DIWKWZQSNIXRMO-YESZJQIVSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000895665589 591246216 /nfs/dbraw/zinc/24/62/16/591246216.db2.gz DIWKWZQSNIXRMO-YESZJQIVSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000895665589 591246218 /nfs/dbraw/zinc/24/62/18/591246218.db2.gz DIWKWZQSNIXRMO-YESZJQIVSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000895665589 591246220 /nfs/dbraw/zinc/24/62/20/591246220.db2.gz DIWKWZQSNIXRMO-YESZJQIVSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC1CC2(C1)CO[C@H](C)C2 ZINC000895666973 591247438 /nfs/dbraw/zinc/24/74/38/591247438.db2.gz UWMPYSDHTYGYCJ-LCMLCXGQSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC1CC2(C1)CO[C@H](C)C2 ZINC000895666973 591247440 /nfs/dbraw/zinc/24/74/40/591247440.db2.gz UWMPYSDHTYGYCJ-LCMLCXGQSA-N 2 1 340.512 1.515 20 0 EDADMP CN(C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000893014829 591254252 /nfs/dbraw/zinc/25/42/52/591254252.db2.gz ZYNALVCCOMVCRS-DLBZAZTESA-N 2 1 338.496 1.365 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000893025421 591258844 /nfs/dbraw/zinc/25/88/44/591258844.db2.gz ZYDBDMBQVGLEJX-INIZCTEOSA-N 2 1 339.528 1.232 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000893025421 591258847 /nfs/dbraw/zinc/25/88/47/591258847.db2.gz ZYDBDMBQVGLEJX-INIZCTEOSA-N 2 1 339.528 1.232 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1ncnc2sc(NC[C@H]3CC[N@@H+]3C)nc21 ZINC000895769241 591269106 /nfs/dbraw/zinc/26/91/06/591269106.db2.gz PCLPTWYPQZNBNY-GHMZBOCLSA-N 2 1 333.465 1.318 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1nc2c(ncnc2NC[C@H]2CC[N@@H+]2C)s1 ZINC000895769241 591269108 /nfs/dbraw/zinc/26/91/08/591269108.db2.gz PCLPTWYPQZNBNY-GHMZBOCLSA-N 2 1 333.465 1.318 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1nc2c(ncnc2NC[C@H]2CC[N@H+]2C)s1 ZINC000895769241 591269110 /nfs/dbraw/zinc/26/91/10/591269110.db2.gz PCLPTWYPQZNBNY-GHMZBOCLSA-N 2 1 333.465 1.318 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000894377508 591295383 /nfs/dbraw/zinc/29/53/83/591295383.db2.gz ABQCITRQUFTKFK-UHFFFAOYSA-N 2 1 328.501 1.518 20 0 EDADMP CN1Cc2ccccc2[C@@H]1CNC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000896241300 591397962 /nfs/dbraw/zinc/39/79/62/591397962.db2.gz XUUKOAJHRPWJFN-SFHVURJKSA-N 2 1 345.491 1.062 20 0 EDADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n[nH]1 ZINC000896260172 591400437 /nfs/dbraw/zinc/40/04/37/591400437.db2.gz ORCUGSFSQWQBQG-YOEHRIQHSA-N 2 1 331.464 1.877 20 0 EDADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n[nH]1 ZINC000896260172 591400439 /nfs/dbraw/zinc/40/04/39/591400439.db2.gz ORCUGSFSQWQBQG-YOEHRIQHSA-N 2 1 331.464 1.877 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC([NH+]2CCCC2)C1 ZINC000898612428 591439275 /nfs/dbraw/zinc/43/92/75/591439275.db2.gz FLGMVAGQRASGCK-KRWDZBQOSA-N 2 1 328.460 1.600 20 0 EDADMP CCc1c[nH]c2nc[nH+]c(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c12 ZINC000894869355 591451678 /nfs/dbraw/zinc/45/16/78/591451678.db2.gz YVPUPLKVLFIMJM-HUUCEWRRSA-N 3 1 330.480 1.696 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000897546075 591545099 /nfs/dbraw/zinc/54/50/99/591545099.db2.gz WWMYPSRTKAHUKE-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897546075 591545101 /nfs/dbraw/zinc/54/51/01/591545101.db2.gz WWMYPSRTKAHUKE-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000896608924 591551258 /nfs/dbraw/zinc/55/12/58/591551258.db2.gz JJCZGQQFTWNYHW-JONQDZQNSA-N 2 1 338.521 1.444 20 0 EDADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000896608924 591551260 /nfs/dbraw/zinc/55/12/60/591551260.db2.gz JJCZGQQFTWNYHW-JONQDZQNSA-N 2 1 338.521 1.444 20 0 EDADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000896608924 591551264 /nfs/dbraw/zinc/55/12/64/591551264.db2.gz JJCZGQQFTWNYHW-JONQDZQNSA-N 2 1 338.521 1.444 20 0 EDADMP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000895466843 591768462 /nfs/dbraw/zinc/76/84/62/591768462.db2.gz XKIOBFHYMYVWTL-GOSISDBHSA-N 2 1 349.475 1.573 20 0 EDADMP COC(=O)c1ccc(CNC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1F ZINC000897228409 591779079 /nfs/dbraw/zinc/77/90/79/591779079.db2.gz KYMVEVBVNKWNPQ-HNNXBMFYSA-N 2 1 336.407 1.955 20 0 EDADMP COC(=O)c1ccc(CNC[C@@H]2CC[N@H+]2C2CCOCC2)cc1F ZINC000897228409 591779081 /nfs/dbraw/zinc/77/90/81/591779081.db2.gz KYMVEVBVNKWNPQ-HNNXBMFYSA-N 2 1 336.407 1.955 20 0 EDADMP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000899952699 591839390 /nfs/dbraw/zinc/83/93/90/591839390.db2.gz OZKWVSGKYDHVFN-FUHWJXTLSA-N 2 1 337.508 1.747 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000899952699 591839394 /nfs/dbraw/zinc/83/93/94/591839394.db2.gz OZKWVSGKYDHVFN-FUHWJXTLSA-N 2 1 337.508 1.747 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)[C@@H](C)C1 ZINC000898367023 591892400 /nfs/dbraw/zinc/89/24/00/591892400.db2.gz KGLLKUAGPOVLQM-XQQFMLRXSA-N 2 1 339.871 1.734 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000900106906 591909893 /nfs/dbraw/zinc/90/98/93/591909893.db2.gz VTZZOLNWYDEBAK-UHFFFAOYSA-N 2 1 335.496 1.829 20 0 EDADMP CC[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000900158162 591920246 /nfs/dbraw/zinc/92/02/46/591920246.db2.gz MYZBJHNUUCXYFI-HBFSDRIKSA-N 2 1 345.487 1.395 20 0 EDADMP CC[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000900158162 591920247 /nfs/dbraw/zinc/92/02/47/591920247.db2.gz MYZBJHNUUCXYFI-HBFSDRIKSA-N 2 1 345.487 1.395 20 0 EDADMP CC[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000900158162 591920248 /nfs/dbraw/zinc/92/02/48/591920248.db2.gz MYZBJHNUUCXYFI-HBFSDRIKSA-N 2 1 345.487 1.395 20 0 EDADMP CC[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000900158162 591920249 /nfs/dbraw/zinc/92/02/49/591920249.db2.gz MYZBJHNUUCXYFI-HBFSDRIKSA-N 2 1 345.487 1.395 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000900209699 591942991 /nfs/dbraw/zinc/94/29/91/591942991.db2.gz UPYAZOUQEQKOTH-JKSUJKDBSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000900209699 591942994 /nfs/dbraw/zinc/94/29/94/591942994.db2.gz UPYAZOUQEQKOTH-JKSUJKDBSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000900209699 591942997 /nfs/dbraw/zinc/94/29/97/591942997.db2.gz UPYAZOUQEQKOTH-JKSUJKDBSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000900209699 591943002 /nfs/dbraw/zinc/94/30/02/591943002.db2.gz UPYAZOUQEQKOTH-JKSUJKDBSA-N 2 1 339.480 1.110 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900214335 591945070 /nfs/dbraw/zinc/94/50/70/591945070.db2.gz CDIJAKLVNAUFCP-MRXNPFEDSA-N 2 1 335.496 1.687 20 0 EDADMP c1cc(N[C@H]2CCCOC2)nc(NCCCCCN2CC[NH2+]CC2)[nH+]1 ZINC000900357986 591994167 /nfs/dbraw/zinc/99/41/67/591994167.db2.gz GJMXYYKIVDCWEC-INIZCTEOSA-N 2 1 348.495 1.555 20 0 EDADMP Cc1nc(NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2c([nH+]1)CCCC2 ZINC000900359471 591994621 /nfs/dbraw/zinc/99/46/21/591994621.db2.gz ASTCFGIQRFCDIT-ZDUSSCGKSA-N 2 1 330.432 1.761 20 0 EDADMP O=S(=O)(CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)N1CCCC1 ZINC000902449978 591998701 /nfs/dbraw/zinc/99/87/01/591998701.db2.gz AYYCTNKLSYVECJ-HOTGVXAUSA-N 2 1 329.510 1.170 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000900410546 592010603 /nfs/dbraw/zinc/01/06/03/592010603.db2.gz VGGABVOXHKLXHM-HZPDHXFCSA-N 2 1 339.480 1.108 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000900410546 592010606 /nfs/dbraw/zinc/01/06/06/592010606.db2.gz VGGABVOXHKLXHM-HZPDHXFCSA-N 2 1 339.480 1.108 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000900410546 592010610 /nfs/dbraw/zinc/01/06/10/592010610.db2.gz VGGABVOXHKLXHM-HZPDHXFCSA-N 2 1 339.480 1.108 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000900410546 592010612 /nfs/dbraw/zinc/01/06/12/592010612.db2.gz VGGABVOXHKLXHM-HZPDHXFCSA-N 2 1 339.480 1.108 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)C2)CC1 ZINC000900453938 592021718 /nfs/dbraw/zinc/02/17/18/592021718.db2.gz QCMAZBQAYYSBNC-YQVWRLOYSA-N 2 1 337.508 1.412 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)C2CC[NH+](CC)CC2)C1 ZINC000900517136 592043253 /nfs/dbraw/zinc/04/32/53/592043253.db2.gz HDMWSBZWOLPSBC-HNNXBMFYSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)C2CC[NH+](CC)CC2)C1 ZINC000900517136 592043254 /nfs/dbraw/zinc/04/32/54/592043254.db2.gz HDMWSBZWOLPSBC-HNNXBMFYSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)C[NH+](CC)CC)C1 ZINC000900695303 592088688 /nfs/dbraw/zinc/08/86/88/592088688.db2.gz OTPOLEAETZSKIN-GJZGRUSLSA-N 2 1 327.469 1.108 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)C[NH+](CC)CC)C1 ZINC000900695303 592088690 /nfs/dbraw/zinc/08/86/90/592088690.db2.gz OTPOLEAETZSKIN-GJZGRUSLSA-N 2 1 327.469 1.108 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000900720947 592104135 /nfs/dbraw/zinc/10/41/35/592104135.db2.gz HUYSWFSGXOJZHX-ICSRJNTNSA-N 2 1 345.487 1.614 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000900720947 592104137 /nfs/dbraw/zinc/10/41/37/592104137.db2.gz HUYSWFSGXOJZHX-ICSRJNTNSA-N 2 1 345.487 1.614 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000900720947 592104138 /nfs/dbraw/zinc/10/41/38/592104138.db2.gz HUYSWFSGXOJZHX-ICSRJNTNSA-N 2 1 345.487 1.614 20 0 EDADMP Cc1ccc(NCCNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)[nH+]c1 ZINC000900719242 592104348 /nfs/dbraw/zinc/10/43/48/592104348.db2.gz WSLZRFQXOXIPTJ-QGZVFWFLSA-N 2 1 334.464 1.711 20 0 EDADMP Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)n[nH]1 ZINC000903136432 592125740 /nfs/dbraw/zinc/12/57/40/592125740.db2.gz YAWIYRIMLSSGPP-DJIMGWMZSA-N 2 1 349.479 1.424 20 0 EDADMP Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[nH]1 ZINC000903136432 592125742 /nfs/dbraw/zinc/12/57/42/592125742.db2.gz YAWIYRIMLSSGPP-DJIMGWMZSA-N 2 1 349.479 1.424 20 0 EDADMP C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903137273 592126171 /nfs/dbraw/zinc/12/61/71/592126171.db2.gz KEWZLDHEZUKXDI-IBWRZXHSSA-N 2 1 341.521 1.404 20 0 EDADMP Cn1nccc1N1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1=O ZINC000903158186 592128062 /nfs/dbraw/zinc/12/80/62/592128062.db2.gz RWAWEMMPSJSEBO-YQAQFAQXSA-N 2 1 343.475 1.663 20 0 EDADMP Cn1nccc1N1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1=O ZINC000903158186 592128063 /nfs/dbraw/zinc/12/80/63/592128063.db2.gz RWAWEMMPSJSEBO-YQAQFAQXSA-N 2 1 343.475 1.663 20 0 EDADMP FC(F)(F)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N1CCOCC1 ZINC000903172479 592129946 /nfs/dbraw/zinc/12/99/46/592129946.db2.gz ZBORZIWLKJMZJS-YPAMNDHTSA-N 2 1 347.425 1.997 20 0 EDADMP FC(F)(F)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N1CCOCC1 ZINC000903172479 592129947 /nfs/dbraw/zinc/12/99/47/592129947.db2.gz ZBORZIWLKJMZJS-YPAMNDHTSA-N 2 1 347.425 1.997 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000900821280 592137517 /nfs/dbraw/zinc/13/75/17/592137517.db2.gz MUWRQQJTYZZLAN-ARFHVFGLSA-N 2 1 339.480 1.060 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000900821280 592137521 /nfs/dbraw/zinc/13/75/21/592137521.db2.gz MUWRQQJTYZZLAN-ARFHVFGLSA-N 2 1 339.480 1.060 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000900821280 592137525 /nfs/dbraw/zinc/13/75/25/592137525.db2.gz MUWRQQJTYZZLAN-ARFHVFGLSA-N 2 1 339.480 1.060 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000900821280 592137527 /nfs/dbraw/zinc/13/75/27/592137527.db2.gz MUWRQQJTYZZLAN-ARFHVFGLSA-N 2 1 339.480 1.060 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)COCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000903277813 592150027 /nfs/dbraw/zinc/15/00/27/592150027.db2.gz CHOUCTLHNIMFFG-MISYRCLQSA-N 2 1 347.503 1.322 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903449861 592173467 /nfs/dbraw/zinc/17/34/67/592173467.db2.gz JBKBRMIDTXJQSB-OAHLLOKOSA-N 2 1 345.443 1.360 20 0 EDADMP CC[C@@H]1C[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)CC[C@H]1[NH3+] ZINC000903450291 592173747 /nfs/dbraw/zinc/17/37/47/592173747.db2.gz SREURTFBLAGDTM-RHSMWYFYSA-N 2 1 345.443 1.358 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@H]1CC[NH3+] ZINC000903496810 592187809 /nfs/dbraw/zinc/18/78/09/592187809.db2.gz FOTCDZKCLGIBNN-DGCLKSJQSA-N 2 1 330.388 1.882 20 0 EDADMP COCCOc1cccc(CNC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903496748 592187908 /nfs/dbraw/zinc/18/79/08/592187908.db2.gz BOWQYVJENGDFSC-NVXWUHKLSA-N 2 1 349.475 1.245 20 0 EDADMP NC(=O)[C@@H](c1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903509399 592189953 /nfs/dbraw/zinc/18/99/53/592189953.db2.gz HYZVKOKRUYLIRJ-FGTMMUONSA-N 2 1 328.460 1.114 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000901078978 592226154 /nfs/dbraw/zinc/22/61/54/592226154.db2.gz SWDQTVOEWQRNRS-KSZLIROESA-N 2 1 335.492 1.717 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000906649929 592234763 /nfs/dbraw/zinc/23/47/63/592234763.db2.gz BPBCWWDSGZZWNK-INIZCTEOSA-N 2 1 344.459 1.419 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906651575 592234961 /nfs/dbraw/zinc/23/49/61/592234961.db2.gz SDHQWIBAIZKCCB-CYBMUJFWSA-N 2 1 332.448 1.277 20 0 EDADMP C[C@@]1(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000904372928 592240306 /nfs/dbraw/zinc/24/03/06/592240306.db2.gz JXTPOUIWNCWGGV-LJQANCHMSA-N 3 1 330.520 1.959 20 0 EDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000904406470 592250748 /nfs/dbraw/zinc/25/07/48/592250748.db2.gz WFWHXYZFJLGSIO-INIZCTEOSA-N 2 1 331.460 1.762 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906679657 592260741 /nfs/dbraw/zinc/26/07/41/592260741.db2.gz WHWGXIPZPTWIMC-CYBMUJFWSA-N 2 1 332.448 1.320 20 0 EDADMP O=S(=O)(CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1 ZINC000903749667 592294779 /nfs/dbraw/zinc/29/47/79/592294779.db2.gz ODWGCAGZKFUOOX-CVEARBPZSA-N 2 1 337.489 1.750 20 0 EDADMP C[C@H](c1ccccc1)[N@@H+](CC(N)=O)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733659 592296667 /nfs/dbraw/zinc/29/66/67/592296667.db2.gz MAEXMDGTFFOIHH-NVXWUHKLSA-N 2 1 331.460 1.694 20 0 EDADMP C[C@H](c1ccccc1)[N@H+](CC(N)=O)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733659 592296673 /nfs/dbraw/zinc/29/66/73/592296673.db2.gz MAEXMDGTFFOIHH-NVXWUHKLSA-N 2 1 331.460 1.694 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc([C@@]4(C)CCC[NH2+]4)n3)cn2)CC1 ZINC000904658268 592299721 /nfs/dbraw/zinc/29/97/21/592299721.db2.gz KODCZUYWSYNMDB-QGZVFWFLSA-N 2 1 328.420 1.482 20 0 EDADMP O[C@H](C[NH+]1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)c1ccccc1 ZINC000903739635 592301291 /nfs/dbraw/zinc/30/12/91/592301291.db2.gz NFEAXEOERJLDHX-AQNXPRMDSA-N 2 1 345.487 1.106 20 0 EDADMP c1ccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)nc1 ZINC000903742630 592304015 /nfs/dbraw/zinc/30/40/15/592304015.db2.gz YHPDKALWIJQRLO-IRXDYDNUSA-N 2 1 330.476 1.974 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903742763 592304331 /nfs/dbraw/zinc/30/43/31/592304331.db2.gz ZNVMECSWAUGHLW-ZWKOTPCHSA-N 3 1 339.524 1.578 20 0 EDADMP COC(=O)c1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c2ncccc12 ZINC000903761448 592308076 /nfs/dbraw/zinc/30/80/76/592308076.db2.gz SPYVFPQZKWHXDI-CQSZACIVSA-N 2 1 329.400 1.571 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c2ncccc12 ZINC000903761448 592308080 /nfs/dbraw/zinc/30/80/80/592308080.db2.gz SPYVFPQZKWHXDI-CQSZACIVSA-N 2 1 329.400 1.571 20 0 EDADMP Cc1noc(C[C@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903824430 592334687 /nfs/dbraw/zinc/33/46/87/592334687.db2.gz QPFRNYWWIFRFNQ-CVEARBPZSA-N 2 1 334.464 1.791 20 0 EDADMP NC[C@]12CC[C@H]1CC[N@@H+]2CCOCCN1C(=O)c2ccccc2C1=O ZINC000903862599 592349385 /nfs/dbraw/zinc/34/93/85/592349385.db2.gz AFNBFWRDKFNGAX-IFXJQAMLSA-N 2 1 343.427 1.112 20 0 EDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCOCCN1C(=O)c2ccccc2C1=O ZINC000903862599 592349395 /nfs/dbraw/zinc/34/93/95/592349395.db2.gz AFNBFWRDKFNGAX-IFXJQAMLSA-N 2 1 343.427 1.112 20 0 EDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCOCCN1C(=O)c2ccccc2C1=O ZINC000903862599 592349400 /nfs/dbraw/zinc/34/94/00/592349400.db2.gz AFNBFWRDKFNGAX-IFXJQAMLSA-N 2 1 343.427 1.112 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](C[C@H](C)O)[C@@H](CC)C2)C1 ZINC000906827030 592355037 /nfs/dbraw/zinc/35/50/37/592355037.db2.gz PODXUHRYECUKSG-ULQDDVLXSA-N 2 1 325.497 1.412 20 0 EDADMP Cn1cc(C[C@H]2CC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)cn1 ZINC000903898879 592368424 /nfs/dbraw/zinc/36/84/24/592368424.db2.gz OYCGCWWCQSEINJ-ZBFHGGJFSA-N 2 1 329.452 1.001 20 0 EDADMP C[N@H+]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000903928150 592381509 /nfs/dbraw/zinc/38/15/09/592381509.db2.gz WJJGYDDBXNOHGD-INIZCTEOSA-N 2 1 326.448 1.655 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000903978277 592399311 /nfs/dbraw/zinc/39/93/11/592399311.db2.gz DBHPNAKCCLYHQO-FCEWJHQRSA-N 2 1 340.427 1.789 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cncc3ccccc31)C2 ZINC000903978420 592399778 /nfs/dbraw/zinc/39/97/78/592399778.db2.gz FCCSJIPXXULNQT-FCEWJHQRSA-N 2 1 325.412 1.947 20 0 EDADMP CCCN(CC[NH+]1CCCCCC1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908238677 592400136 /nfs/dbraw/zinc/40/01/36/592400136.db2.gz BMGIXPPNAXSREH-LJQANCHMSA-N 2 1 339.524 1.948 20 0 EDADMP O[C@@H](CCOCc1ccccc1)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000905073579 592403169 /nfs/dbraw/zinc/40/31/69/592403169.db2.gz DTCIXENIYXIGAE-QYZOEREBSA-N 2 1 334.460 1.407 20 0 EDADMP O[C@@H](CCOCc1ccccc1)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000905073579 592403175 /nfs/dbraw/zinc/40/31/75/592403175.db2.gz DTCIXENIYXIGAE-QYZOEREBSA-N 2 1 334.460 1.407 20 0 EDADMP Cn1ccnc1CNc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000908350051 592457065 /nfs/dbraw/zinc/45/70/65/592457065.db2.gz UXSDONLFPWMMPF-DOTOQJQBSA-N 2 1 339.443 1.808 20 0 EDADMP CCC(CC)Nc1cc[nH+]cc1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908327808 592462627 /nfs/dbraw/zinc/46/26/27/592462627.db2.gz GGQPVMBNSBZMJL-SFHVURJKSA-N 2 1 334.464 1.889 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)C1 ZINC000907017841 592481564 /nfs/dbraw/zinc/48/15/64/592481564.db2.gz OLIZFZHPVNIGHL-ROUUACIJSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905334268 592509044 /nfs/dbraw/zinc/50/90/44/592509044.db2.gz OKXCVSWMZHQNPD-AWEZNQCLSA-N 2 1 331.526 1.416 20 0 EDADMP OC[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Cc1ccoc1 ZINC000905416294 592524882 /nfs/dbraw/zinc/52/48/82/592524882.db2.gz AIJMFQWHQVYDOZ-UXHICEINSA-N 2 1 344.455 1.657 20 0 EDADMP OC[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cc1ccoc1 ZINC000905416294 592524885 /nfs/dbraw/zinc/52/48/85/592524885.db2.gz AIJMFQWHQVYDOZ-UXHICEINSA-N 2 1 344.455 1.657 20 0 EDADMP O=C1C[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1CC1CC1 ZINC000905449850 592529658 /nfs/dbraw/zinc/52/96/58/592529658.db2.gz GWOUHXKYZVABRV-ICSRJNTNSA-N 2 1 343.471 1.224 20 0 EDADMP O=C1C[C@H]([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CN1CC1CC1 ZINC000905449850 592529661 /nfs/dbraw/zinc/52/96/61/592529661.db2.gz GWOUHXKYZVABRV-ICSRJNTNSA-N 2 1 343.471 1.224 20 0 EDADMP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000908605899 592551289 /nfs/dbraw/zinc/55/12/89/592551289.db2.gz BNDMRYGJRGKPJC-SFHVURJKSA-N 2 1 343.487 1.550 20 0 EDADMP CN1C[C@@H](CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000905526206 592561570 /nfs/dbraw/zinc/56/15/70/592561570.db2.gz UPGOVQSFOIHIOC-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP CN1C[C@@H](CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000905526206 592561572 /nfs/dbraw/zinc/56/15/72/592561572.db2.gz UPGOVQSFOIHIOC-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000905632600 592591721 /nfs/dbraw/zinc/59/17/21/592591721.db2.gz FYDAESJGLFWDLB-KFWWJZLASA-N 2 1 342.578 1.515 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000905632600 592591724 /nfs/dbraw/zinc/59/17/24/592591724.db2.gz FYDAESJGLFWDLB-KFWWJZLASA-N 2 1 342.578 1.515 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000905632600 592591727 /nfs/dbraw/zinc/59/17/27/592591727.db2.gz FYDAESJGLFWDLB-KFWWJZLASA-N 2 1 342.578 1.515 20 0 EDADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)[C@H](C)C1 ZINC000907515750 592698649 /nfs/dbraw/zinc/69/86/49/592698649.db2.gz DCIKTAJIBIPCQB-HUUCEWRRSA-N 2 1 344.459 1.818 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)[C@H](C)C1 ZINC000907515750 592698652 /nfs/dbraw/zinc/69/86/52/592698652.db2.gz DCIKTAJIBIPCQB-HUUCEWRRSA-N 2 1 344.459 1.818 20 0 EDADMP CCC[NH+]1CCN(C(=O)c2coc(CN3CC[C@H](OC)C3)n2)CC1 ZINC000906553795 592850079 /nfs/dbraw/zinc/85/00/79/592850079.db2.gz PLEDLQGRGRDSSM-AWEZNQCLSA-N 2 1 336.436 1.063 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1)[NH+](C)C ZINC000910860309 592897629 /nfs/dbraw/zinc/89/76/29/592897629.db2.gz AYOXBILOFKIFOT-KRWDZBQOSA-N 2 1 327.513 1.514 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000911535121 592936662 /nfs/dbraw/zinc/93/66/62/592936662.db2.gz UKOYBHZRMDTETL-BBWFWOEESA-N 2 1 325.497 1.676 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000911535121 592936664 /nfs/dbraw/zinc/93/66/64/592936664.db2.gz UKOYBHZRMDTETL-BBWFWOEESA-N 2 1 325.497 1.676 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000911535121 592936666 /nfs/dbraw/zinc/93/66/66/592936666.db2.gz UKOYBHZRMDTETL-BBWFWOEESA-N 2 1 325.497 1.676 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C1 ZINC000911535121 592936668 /nfs/dbraw/zinc/93/66/68/592936668.db2.gz UKOYBHZRMDTETL-BBWFWOEESA-N 2 1 325.497 1.676 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)C1 ZINC000911580571 592953838 /nfs/dbraw/zinc/95/38/38/592953838.db2.gz RPJWEUABCHHZRN-QLFBSQMISA-N 2 1 339.480 1.106 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)C1 ZINC000911580571 592953841 /nfs/dbraw/zinc/95/38/41/592953841.db2.gz RPJWEUABCHHZRN-QLFBSQMISA-N 2 1 339.480 1.106 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2csc3cncn32)CC1 ZINC000733925464 592955127 /nfs/dbraw/zinc/95/51/27/592955127.db2.gz WUBRXSRUXBVPFT-UHFFFAOYSA-N 2 1 342.428 1.795 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000911626244 592968381 /nfs/dbraw/zinc/96/83/81/592968381.db2.gz UXCJOGMJSZTJLJ-CYBMUJFWSA-N 2 1 342.237 1.407 20 0 EDADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000911729177 592990062 /nfs/dbraw/zinc/99/00/62/592990062.db2.gz DKCSNMWRZFZOTK-CABZTGNLSA-N 2 1 328.210 1.017 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736145380 592990945 /nfs/dbraw/zinc/99/09/45/592990945.db2.gz UEXGMICAKNIFQL-LBPRGKRZSA-N 2 1 348.426 1.283 20 0 EDADMP C[NH+](C)C1(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000911745525 592996071 /nfs/dbraw/zinc/99/60/71/592996071.db2.gz QCJHGEZAEJUBHM-HNNXBMFYSA-N 2 1 331.416 1.628 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000912303045 593082754 /nfs/dbraw/zinc/08/27/54/593082754.db2.gz HTAHHYYCFAJJFK-IRXDYDNUSA-N 2 1 326.529 1.497 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C1 ZINC000912303045 593082755 /nfs/dbraw/zinc/08/27/55/593082755.db2.gz HTAHHYYCFAJJFK-IRXDYDNUSA-N 3 1 326.529 1.497 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C1 ZINC000912303045 593082756 /nfs/dbraw/zinc/08/27/56/593082756.db2.gz HTAHHYYCFAJJFK-IRXDYDNUSA-N 3 1 326.529 1.497 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000912303045 593082757 /nfs/dbraw/zinc/08/27/57/593082757.db2.gz HTAHHYYCFAJJFK-IRXDYDNUSA-N 3 1 326.529 1.497 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000912303045 593082758 /nfs/dbraw/zinc/08/27/58/593082758.db2.gz HTAHHYYCFAJJFK-IRXDYDNUSA-N 3 1 326.529 1.497 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H]2CCn3ccnc32)CC[N@H+]1CCOC ZINC000838632871 593198641 /nfs/dbraw/zinc/19/86/41/593198641.db2.gz ICEQZTHYLZOUAL-GJZGRUSLSA-N 2 1 335.452 1.470 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H]2CCn3ccnc32)CCN1CCOC ZINC000838632871 593198642 /nfs/dbraw/zinc/19/86/42/593198642.db2.gz ICEQZTHYLZOUAL-GJZGRUSLSA-N 2 1 335.452 1.470 20 0 EDADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000813328422 593526789 /nfs/dbraw/zinc/52/67/89/593526789.db2.gz JKNIVTYSONPUGL-GFCCVEGCSA-N 2 1 330.432 1.740 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000817927823 593649602 /nfs/dbraw/zinc/64/96/02/593649602.db2.gz NHHVSQOSGZCYJK-QWFCFKBJSA-N 2 1 345.487 1.782 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000817927823 593649604 /nfs/dbraw/zinc/64/96/04/593649604.db2.gz NHHVSQOSGZCYJK-QWFCFKBJSA-N 2 1 345.487 1.782 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000818971080 593731277 /nfs/dbraw/zinc/73/12/77/593731277.db2.gz SFXUGOWCZHTQCJ-MRXNPFEDSA-N 2 1 346.431 1.222 20 0 EDADMP COc1cccc([C@@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000819062722 593736787 /nfs/dbraw/zinc/73/67/87/593736787.db2.gz SNTWJSYYIROURX-MOPGFXCFSA-N 2 1 334.460 1.962 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000819279118 593748216 /nfs/dbraw/zinc/74/82/16/593748216.db2.gz VWSLEZDPWPIBAT-UYSNPLJNSA-N 2 1 341.496 1.869 20 0 EDADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000819367030 593752072 /nfs/dbraw/zinc/75/20/72/593752072.db2.gz VQZLGDSIROOFHP-CABCVRRESA-N 2 1 329.485 1.584 20 0 EDADMP Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)ccc1OCC[NH+](C)C ZINC000819491986 593756684 /nfs/dbraw/zinc/75/66/84/593756684.db2.gz UJLUFEMCJSMCRX-KRWDZBQOSA-N 2 1 337.464 1.040 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000820075058 593788593 /nfs/dbraw/zinc/78/85/93/593788593.db2.gz RWZXMMNOSOXCHE-INIZCTEOSA-N 3 1 341.544 1.242 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000820075058 593788594 /nfs/dbraw/zinc/78/85/94/593788594.db2.gz RWZXMMNOSOXCHE-INIZCTEOSA-N 3 1 341.544 1.242 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1 ZINC000821501611 593847887 /nfs/dbraw/zinc/84/78/87/593847887.db2.gz ZVXQZKOJAHWWMB-AWEZNQCLSA-N 2 1 336.484 1.687 20 0 EDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(-n2cnnc2)c1 ZINC000820807244 593894278 /nfs/dbraw/zinc/89/42/78/593894278.db2.gz DLFRABJXEQNXPJ-OAHLLOKOSA-N 2 1 329.448 1.765 20 0 EDADMP O=C(C[NH+]1CCCC1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000821816506 593947703 /nfs/dbraw/zinc/94/77/03/593947703.db2.gz ODGRUMCICKIORG-GOSISDBHSA-N 2 1 331.460 1.355 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821188659 593986151 /nfs/dbraw/zinc/98/61/51/593986151.db2.gz BIIZGEOKDCLNRV-QGZVFWFLSA-N 2 1 344.463 1.799 20 0 EDADMP Cc1cccc2c(N[C@H](C)CC[NH+](C)C)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822337190 594034069 /nfs/dbraw/zinc/03/40/69/594034069.db2.gz VEFDEDAPRNHNCJ-GFCCVEGCSA-N 2 1 325.420 1.897 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825412325 594181086 /nfs/dbraw/zinc/18/10/86/594181086.db2.gz OKKSDLAYYOSGQX-OAHLLOKOSA-N 2 1 345.451 1.194 20 0 EDADMP OC1(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC000826505839 594507398 /nfs/dbraw/zinc/50/73/98/594507398.db2.gz GYKYWCHKUSEBBO-UHFFFAOYSA-N 2 1 342.447 1.336 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)CC[C@H]21 ZINC000827256766 594656866 /nfs/dbraw/zinc/65/68/66/594656866.db2.gz XRAUMOXUOMMOLE-IXDOHACOSA-N 2 1 337.533 1.757 20 0 EDADMP CCO[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C[NH+](C)C ZINC000831756752 594699898 /nfs/dbraw/zinc/69/98/98/594699898.db2.gz KYQBQTOFTXVRRB-MSOLQXFVSA-N 2 1 348.491 1.377 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000841386212 594891228 /nfs/dbraw/zinc/89/12/28/594891228.db2.gz IJWQKLSGXHARFH-RBUKOAKNSA-N 2 1 343.471 1.414 20 0 EDADMP O=C(CC[NH+]1CCc2ccccc2C1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841386212 594891231 /nfs/dbraw/zinc/89/12/31/594891231.db2.gz IJWQKLSGXHARFH-RBUKOAKNSA-N 2 1 343.471 1.414 20 0 EDADMP O=C(CC[NH+]1CCc2ccccc2C1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841386212 594891234 /nfs/dbraw/zinc/89/12/34/594891234.db2.gz IJWQKLSGXHARFH-RBUKOAKNSA-N 2 1 343.471 1.414 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](C)C[N@@H+]1CCO ZINC000841456627 594903348 /nfs/dbraw/zinc/90/33/48/594903348.db2.gz JORFRGCWMMXHBD-JKIFEVAISA-N 2 1 329.460 1.112 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](C)C[N@H+]1CCO ZINC000841456627 594903350 /nfs/dbraw/zinc/90/33/50/594903350.db2.gz JORFRGCWMMXHBD-JKIFEVAISA-N 2 1 329.460 1.112 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](C)C[NH+]1CCO ZINC000841456627 594903352 /nfs/dbraw/zinc/90/33/52/594903352.db2.gz JORFRGCWMMXHBD-JKIFEVAISA-N 2 1 329.460 1.112 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](C)C[NH+]1CCO ZINC000841456627 594903355 /nfs/dbraw/zinc/90/33/55/594903355.db2.gz JORFRGCWMMXHBD-JKIFEVAISA-N 2 1 329.460 1.112 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000836226600 594940314 /nfs/dbraw/zinc/94/03/14/594940314.db2.gz HSUZBLOYZJUGMN-INIZCTEOSA-N 2 1 345.491 1.902 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841801300 594955299 /nfs/dbraw/zinc/95/52/99/594955299.db2.gz PRBUAVBZIXEFDQ-QGZVFWFLSA-N 2 1 334.464 1.098 20 0 EDADMP Cc1ccc2c(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1C ZINC000843385320 595096696 /nfs/dbraw/zinc/09/66/96/595096696.db2.gz JZUKWIJKYFRLQL-KRWDZBQOSA-N 2 1 341.455 1.889 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000843062667 595277646 /nfs/dbraw/zinc/27/76/46/595277646.db2.gz QZWYOHRTZACCOT-DZGCQCFKSA-N 2 1 348.365 1.665 20 0 EDADMP C[NH+]1CCN([C@H](c2nc(C3CC[NH2+]CC3)no2)c2ccccc2)CC1 ZINC000843140149 595294696 /nfs/dbraw/zinc/29/46/96/595294696.db2.gz YZQVMTWUIRONRS-KRWDZBQOSA-N 2 1 341.459 1.873 20 0 EDADMP c1ccc(CCc2nnc3n2CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C3)cc1 ZINC000844221162 595306316 /nfs/dbraw/zinc/30/63/16/595306316.db2.gz JCNASBINAFYJRS-KRWDZBQOSA-N 2 1 325.460 1.879 20 0 EDADMP c1ccc(CCc2nnc3n2CC[N@H+](CC[C@@H]2CC[NH2+]C2)C3)cc1 ZINC000844221162 595306318 /nfs/dbraw/zinc/30/63/18/595306318.db2.gz JCNASBINAFYJRS-KRWDZBQOSA-N 2 1 325.460 1.879 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848605498 595417108 /nfs/dbraw/zinc/41/71/08/595417108.db2.gz NFZDXZYDTVDLMJ-XLMAVXFVSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848605498 595417112 /nfs/dbraw/zinc/41/71/12/595417112.db2.gz NFZDXZYDTVDLMJ-XLMAVXFVSA-N 2 1 338.496 1.269 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](O)c3ccco3)CC2)CC1 ZINC000847573713 595450903 /nfs/dbraw/zinc/45/09/03/595450903.db2.gz CXYPFUNGNLAMBN-KRWDZBQOSA-N 2 1 349.475 1.626 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000849065089 595477090 /nfs/dbraw/zinc/47/70/90/595477090.db2.gz OPDFKMZHBCNETF-GDBMZVCRSA-N 2 1 349.454 1.068 20 0 EDADMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000849084949 595479485 /nfs/dbraw/zinc/47/94/85/595479485.db2.gz FAUIWIUVGIOXNO-KRWDZBQOSA-N 2 1 336.436 1.487 20 0 EDADMP C[C@@H]1CN(C(=[NH2+])NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000849093602 595480356 /nfs/dbraw/zinc/48/03/56/595480356.db2.gz BLJZMXXRRUEKNN-AEFFLSMTSA-N 2 1 346.475 1.523 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@@H]1COc2ccccc2O1 ZINC000849096569 595481384 /nfs/dbraw/zinc/48/13/84/595481384.db2.gz VSNYQHYBFRIECQ-LSDHHAIUSA-N 2 1 332.448 1.815 20 0 EDADMP CN1CCC[NH+]=C1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000849111718 595484066 /nfs/dbraw/zinc/48/40/66/595484066.db2.gz BSCXSEFJOAHXOH-KRWDZBQOSA-N 2 1 343.475 1.165 20 0 EDADMP [NH2+]=C(NCC[NH+]1CCC(O)CC1)Nc1cccc(OC(F)(F)F)c1 ZINC000849115890 595484608 /nfs/dbraw/zinc/48/46/08/595484608.db2.gz DWHMYHXKTMKFIF-UHFFFAOYSA-N 2 1 346.353 1.978 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000845444764 595498569 /nfs/dbraw/zinc/49/85/69/595498569.db2.gz FOTCNKXXDKGTTO-KBPBESRZSA-N 2 1 342.484 1.042 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCC[NH+](C)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849510247 595554513 /nfs/dbraw/zinc/55/45/13/595554513.db2.gz PSKKINMMQQVBLE-QZTJIDSGSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CC[C@@H](C(=O)NCC[N@H+](C)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849510247 595554516 /nfs/dbraw/zinc/55/45/16/595554516.db2.gz PSKKINMMQQVBLE-QZTJIDSGSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CC[C@@H](C(=O)NCC[N@@H+](C)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849510247 595554519 /nfs/dbraw/zinc/55/45/19/595554519.db2.gz PSKKINMMQQVBLE-QZTJIDSGSA-N 2 1 347.507 1.444 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849541607 595560560 /nfs/dbraw/zinc/56/05/60/595560560.db2.gz PKQNZFMAKDHNIF-BHYGNILZSA-N 2 1 335.496 1.302 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849549745 595562161 /nfs/dbraw/zinc/56/21/61/595562161.db2.gz WNKZXMOAZJFNDF-JQHSSLGASA-N 2 1 347.507 1.256 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849549745 595562164 /nfs/dbraw/zinc/56/21/64/595562164.db2.gz WNKZXMOAZJFNDF-JQHSSLGASA-N 2 1 347.507 1.256 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849549745 595562166 /nfs/dbraw/zinc/56/21/66/595562166.db2.gz WNKZXMOAZJFNDF-JQHSSLGASA-N 2 1 347.507 1.256 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C)[C@H](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849555274 595564949 /nfs/dbraw/zinc/56/49/49/595564949.db2.gz QXGUIQBMOCDPBE-BPQIPLTHSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC[NH+](C)[C@H](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849555274 595564953 /nfs/dbraw/zinc/56/49/53/595564953.db2.gz QXGUIQBMOCDPBE-BPQIPLTHSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)N2CC[N@H+](C)[C@H](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849555274 595564955 /nfs/dbraw/zinc/56/49/55/595564955.db2.gz QXGUIQBMOCDPBE-BPQIPLTHSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)N2CC[N@@H+](C)[C@H](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849555274 595564959 /nfs/dbraw/zinc/56/49/59/595564959.db2.gz QXGUIQBMOCDPBE-BPQIPLTHSA-N 2 1 347.507 1.397 20 0 EDADMP C[C@H](NC(=O)C=C1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000852869428 595589586 /nfs/dbraw/zinc/58/95/86/595589586.db2.gz AOVUPDLCAZVGMA-QFBILLFUSA-N 2 1 343.471 1.702 20 0 EDADMP C[C@H](NC(=O)C=C1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000852869428 595589590 /nfs/dbraw/zinc/58/95/90/595589590.db2.gz AOVUPDLCAZVGMA-QFBILLFUSA-N 2 1 343.471 1.702 20 0 EDADMP C[C@@H](NC(=O)C=C1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000852869424 595589642 /nfs/dbraw/zinc/58/96/42/595589642.db2.gz AOVUPDLCAZVGMA-APWZRJJASA-N 2 1 343.471 1.702 20 0 EDADMP C[C@@H](NC(=O)C=C1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000852869424 595589645 /nfs/dbraw/zinc/58/96/45/595589645.db2.gz AOVUPDLCAZVGMA-APWZRJJASA-N 2 1 343.471 1.702 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)cn1 ZINC000849607966 595594756 /nfs/dbraw/zinc/59/47/56/595594756.db2.gz MMBYQIWLHQDWOU-YESZJQIVSA-N 2 1 347.507 1.444 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cn1 ZINC000849607966 595594757 /nfs/dbraw/zinc/59/47/57/595594757.db2.gz MMBYQIWLHQDWOU-YESZJQIVSA-N 2 1 347.507 1.444 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cn1 ZINC000849607966 595594759 /nfs/dbraw/zinc/59/47/59/595594759.db2.gz MMBYQIWLHQDWOU-YESZJQIVSA-N 2 1 347.507 1.444 20 0 EDADMP C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852888221 595600564 /nfs/dbraw/zinc/60/05/64/595600564.db2.gz VNVQCWDYFHHLQE-CWRNSKLLSA-N 2 1 330.432 1.117 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000856280682 595941118 /nfs/dbraw/zinc/94/11/18/595941118.db2.gz BESQISRPWKEKGX-IRXDYDNUSA-N 2 1 349.523 1.692 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000856280682 595941120 /nfs/dbraw/zinc/94/11/20/595941120.db2.gz BESQISRPWKEKGX-IRXDYDNUSA-N 2 1 349.523 1.692 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000856280682 595941122 /nfs/dbraw/zinc/94/11/22/595941122.db2.gz BESQISRPWKEKGX-IRXDYDNUSA-N 2 1 349.523 1.692 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000851849438 595946575 /nfs/dbraw/zinc/94/65/75/595946575.db2.gz UPKWRLOVSZSNPK-BZUAXINKSA-N 2 1 343.512 1.923 20 0 EDADMP CCOC(=O)N1CCC([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000851956707 595985724 /nfs/dbraw/zinc/98/57/24/595985724.db2.gz ZVYXHIMMNJFGMB-ZBFHGGJFSA-N 2 1 329.485 1.534 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)C(=O)N(C)C)C2)ccn1 ZINC000856596029 596029223 /nfs/dbraw/zinc/02/92/23/596029223.db2.gz PTKHKIFZFCMJQA-RHSMWYFYSA-N 2 1 334.464 1.463 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)ccn1 ZINC000856596029 596029227 /nfs/dbraw/zinc/02/92/27/596029227.db2.gz PTKHKIFZFCMJQA-RHSMWYFYSA-N 2 1 334.464 1.463 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)ccn1 ZINC000856596029 596029230 /nfs/dbraw/zinc/02/92/30/596029230.db2.gz PTKHKIFZFCMJQA-RHSMWYFYSA-N 2 1 334.464 1.463 20 0 EDADMP CCOP(=O)(OCC)[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000852092398 596041208 /nfs/dbraw/zinc/04/12/08/596041208.db2.gz UFIPDNRUHRHAGW-LSDHHAIUSA-N 2 1 334.397 1.989 20 0 EDADMP CCOP(=O)(OCC)[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000852092398 596041211 /nfs/dbraw/zinc/04/12/11/596041211.db2.gz UFIPDNRUHRHAGW-LSDHHAIUSA-N 2 1 334.397 1.989 20 0 EDADMP CCOP(=O)(OCC)[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000852092398 596041214 /nfs/dbraw/zinc/04/12/14/596041214.db2.gz UFIPDNRUHRHAGW-LSDHHAIUSA-N 2 1 334.397 1.989 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000852629484 596212867 /nfs/dbraw/zinc/21/28/67/596212867.db2.gz CJNMXHOEABDYEX-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CCC(=O)N2CC[NH+](C)CC2)n(C)n1 ZINC000852657788 596221427 /nfs/dbraw/zinc/22/14/27/596221427.db2.gz TZAACRKATUEPHH-SJLPKXTDSA-N 2 1 347.507 1.193 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000866546930 596245827 /nfs/dbraw/zinc/24/58/27/596245827.db2.gz OTVYBFAVAPCSED-FZNQNYSPSA-N 2 1 341.496 1.990 20 0 EDADMP COc1ccccc1-c1nc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)co1 ZINC000866666166 596285547 /nfs/dbraw/zinc/28/55/47/596285547.db2.gz LZOHJXXFBIEANC-INIZCTEOSA-N 2 1 342.443 1.830 20 0 EDADMP COc1ccccc1-c1nc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)co1 ZINC000866666166 596285548 /nfs/dbraw/zinc/28/55/48/596285548.db2.gz LZOHJXXFBIEANC-INIZCTEOSA-N 2 1 342.443 1.830 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000866711060 596304073 /nfs/dbraw/zinc/30/40/73/596304073.db2.gz AWQCPDLSNYOXPP-BPQIPLTHSA-N 2 1 338.411 1.602 20 0 EDADMP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CC[NH+](CC2CC2)CC1 ZINC000870870144 596384886 /nfs/dbraw/zinc/38/48/86/596384886.db2.gz ZOPFZZVALVIECS-UHFFFAOYSA-N 2 1 334.489 1.778 20 0 EDADMP CCO[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000864984031 596435752 /nfs/dbraw/zinc/43/57/52/596435752.db2.gz CYKBNWSWAHDIFW-YOEHRIQHSA-N 2 1 348.447 1.214 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC000871280205 596519645 /nfs/dbraw/zinc/51/96/45/596519645.db2.gz DPVKGOJLPVGNPU-MRXNPFEDSA-N 2 1 328.416 1.278 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC000871280205 596519648 /nfs/dbraw/zinc/51/96/48/596519648.db2.gz DPVKGOJLPVGNPU-MRXNPFEDSA-N 2 1 328.416 1.278 20 0 EDADMP Cc1ccccc1CN1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000871280240 596519734 /nfs/dbraw/zinc/51/97/34/596519734.db2.gz FFHLFQSOZHGERG-ROUUACIJSA-N 2 1 331.460 1.264 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000871280240 596519736 /nfs/dbraw/zinc/51/97/36/596519736.db2.gz FFHLFQSOZHGERG-ROUUACIJSA-N 2 1 331.460 1.264 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000871280240 596519738 /nfs/dbraw/zinc/51/97/38/596519738.db2.gz FFHLFQSOZHGERG-ROUUACIJSA-N 2 1 331.460 1.264 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000871280240 596519740 /nfs/dbraw/zinc/51/97/40/596519740.db2.gz FFHLFQSOZHGERG-ROUUACIJSA-N 2 1 331.460 1.264 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000871280240 596519741 /nfs/dbraw/zinc/51/97/41/596519741.db2.gz FFHLFQSOZHGERG-ROUUACIJSA-N 2 1 331.460 1.264 20 0 EDADMP CCOc1cc(F)cc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000865450929 596579335 /nfs/dbraw/zinc/57/93/35/596579335.db2.gz RVHJHEIKCSBNDM-HNNXBMFYSA-N 2 1 337.439 1.901 20 0 EDADMP CCOc1cc(F)cc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000865450929 596579336 /nfs/dbraw/zinc/57/93/36/596579336.db2.gz RVHJHEIKCSBNDM-HNNXBMFYSA-N 2 1 337.439 1.901 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000865484448 596588210 /nfs/dbraw/zinc/58/82/10/596588210.db2.gz XBPLCOMJNTZQIP-CHWSQXEVSA-N 2 1 345.896 1.950 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000868167852 596708239 /nfs/dbraw/zinc/70/82/39/596708239.db2.gz NBJLJENJSQUFMT-HNNXBMFYSA-N 2 1 348.447 1.135 20 0 EDADMP C[C@@H](CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)CN1CC[NH+](C)CC1 ZINC000868185698 596715295 /nfs/dbraw/zinc/71/52/95/596715295.db2.gz YRYWQZOQQKHNCP-JCGIZDLHSA-N 2 1 345.491 1.506 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000868227182 596735628 /nfs/dbraw/zinc/73/56/28/596735628.db2.gz VTGUXZXGNMJSJC-WCXIOVBPSA-N 2 1 342.443 1.183 20 0 EDADMP CC(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000872214094 596838418 /nfs/dbraw/zinc/83/84/18/596838418.db2.gz NGOWOOCSGFBVGD-GUDVDZBRSA-N 2 1 336.476 1.245 20 0 EDADMP CC(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000872214094 596838420 /nfs/dbraw/zinc/83/84/20/596838420.db2.gz NGOWOOCSGFBVGD-GUDVDZBRSA-N 2 1 336.476 1.245 20 0 EDADMP O=C(OCc1ccccc1)[C@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000872237903 596849458 /nfs/dbraw/zinc/84/94/58/596849458.db2.gz QTIVMNCHUJMAHM-KZNAEPCWSA-N 2 1 332.444 1.555 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000872257728 596857143 /nfs/dbraw/zinc/85/71/43/596857143.db2.gz VEPZVHMMTCXUQM-RYQLBKOJSA-N 2 1 327.428 1.542 20 0 EDADMP O=C1N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCC12CCC2 ZINC000872581328 596974954 /nfs/dbraw/zinc/97/49/54/596974954.db2.gz MKMRNPAWQNDUSM-UHFFFAOYSA-N 2 1 335.492 1.781 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000873111701 597199582 /nfs/dbraw/zinc/19/95/82/597199582.db2.gz FWJRSXCUDDOLLP-YLFCFFPRSA-N 2 1 342.443 1.135 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)C1 ZINC000876519085 597227835 /nfs/dbraw/zinc/22/78/35/597227835.db2.gz RTIOPYHROIPWDU-CQSZACIVSA-N 2 1 345.443 1.876 20 0 EDADMP COc1ccc([C@H]2C[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCO2)cc1 ZINC000873221466 597231196 /nfs/dbraw/zinc/23/11/96/597231196.db2.gz KYCSCUYIVVANSI-MAUKXSAKSA-N 2 1 347.459 1.266 20 0 EDADMP COc1ccc([C@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCO2)cc1 ZINC000873221466 597231199 /nfs/dbraw/zinc/23/11/99/597231199.db2.gz KYCSCUYIVVANSI-MAUKXSAKSA-N 2 1 347.459 1.266 20 0 EDADMP COC(=O)c1cnc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000873294504 597249878 /nfs/dbraw/zinc/24/98/78/597249878.db2.gz VYQJXQVRWGGHFV-NWDGAFQWSA-N 2 1 339.461 1.739 20 0 EDADMP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000876720214 597304005 /nfs/dbraw/zinc/30/40/05/597304005.db2.gz DSLLXRTTZDYBNQ-JTGQJZMRSA-N 2 1 343.471 1.691 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000876733556 597312356 /nfs/dbraw/zinc/31/23/56/597312356.db2.gz ASZSXAKETDPPJF-IAGOWNOFSA-N 2 1 331.460 1.873 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876747181 597319565 /nfs/dbraw/zinc/31/95/65/597319565.db2.gz XQIDFPGYUXXOOB-XCLUONLBSA-N 2 1 348.535 1.559 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876770900 597332378 /nfs/dbraw/zinc/33/23/78/597332378.db2.gz KKLIEJFCMFRYEI-CQSZACIVSA-N 2 1 347.381 1.790 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3C[C@H]([NH3+])C3(C)C)CC2)nc(C)[nH+]1 ZINC000876775768 597335364 /nfs/dbraw/zinc/33/53/64/597335364.db2.gz GAAJZCAHAYYCCB-GJZGRUSLSA-N 2 1 331.464 1.552 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc3c(cnn3C)c2)C1 ZINC000876781711 597338603 /nfs/dbraw/zinc/33/86/03/597338603.db2.gz MORDZGJHEGAMLA-KRWDZBQOSA-N 2 1 331.464 1.901 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000875346950 597394049 /nfs/dbraw/zinc/39/40/49/597394049.db2.gz TZUORMDQUUHJCX-SOUVJXGZSA-N 2 1 326.485 1.004 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000875354585 597396918 /nfs/dbraw/zinc/39/69/18/597396918.db2.gz QRJOWIBDOWJETH-OFLPRAFFSA-N 2 1 338.496 1.149 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCc3cn[nH]c32)C[C@H]1C[NH+](C)C ZINC000875390298 597410507 /nfs/dbraw/zinc/41/05/07/597410507.db2.gz AQLPBABKOWXWJW-OAGGEKHMSA-N 2 1 348.495 1.168 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000877229694 597469827 /nfs/dbraw/zinc/46/98/27/597469827.db2.gz PUEFRWDWBSXFNW-UYAOXDASSA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000877229694 597469828 /nfs/dbraw/zinc/46/98/28/597469828.db2.gz PUEFRWDWBSXFNW-UYAOXDASSA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000877229500 597469866 /nfs/dbraw/zinc/46/98/66/597469866.db2.gz NOHVQDXFYFODIZ-QWFCFKBJSA-N 2 1 343.471 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000877229500 597469867 /nfs/dbraw/zinc/46/98/67/597469867.db2.gz NOHVQDXFYFODIZ-QWFCFKBJSA-N 2 1 343.471 1.312 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000877230952 597470687 /nfs/dbraw/zinc/47/06/87/597470687.db2.gz JVYPUVVTPJEULI-QGTPRVQTSA-N 2 1 333.476 1.685 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000877230952 597470689 /nfs/dbraw/zinc/47/06/89/597470689.db2.gz JVYPUVVTPJEULI-QGTPRVQTSA-N 2 1 333.476 1.685 20 0 EDADMP COc1ccc([C@@H]2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C[C@H]2[NH3+])cc1 ZINC000877237910 597474185 /nfs/dbraw/zinc/47/41/85/597474185.db2.gz OTMRMASATVKVNQ-IHETXDGRSA-N 2 1 331.460 1.821 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000877362406 597501656 /nfs/dbraw/zinc/50/16/56/597501656.db2.gz BXGDZNSIZIEOTC-KRWDZBQOSA-N 2 1 327.469 1.338 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000877362406 597501659 /nfs/dbraw/zinc/50/16/59/597501659.db2.gz BXGDZNSIZIEOTC-KRWDZBQOSA-N 2 1 327.469 1.338 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000877450909 597517339 /nfs/dbraw/zinc/51/73/39/597517339.db2.gz HVDLYAKOSOEVHF-PMPSAXMXSA-N 2 1 331.464 1.425 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000877451220 597517373 /nfs/dbraw/zinc/51/73/73/597517373.db2.gz KQFMXDILALVGSW-HUUCEWRRSA-N 2 1 334.489 1.919 20 0 EDADMP Cc1conc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000878118042 597579864 /nfs/dbraw/zinc/57/98/64/597579864.db2.gz CZWHWOSKRVWORC-UHFFFAOYSA-N 2 1 336.480 1.899 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878316211 597594984 /nfs/dbraw/zinc/59/49/84/597594984.db2.gz CZVVBDPTSXMPMO-KRWDZBQOSA-N 2 1 325.497 1.141 20 0 EDADMP Cn1c2ccccc2nc1C(C)(C)[NH2+]CC(=O)NC1CC[NH+](C)CC1 ZINC000878441181 597601988 /nfs/dbraw/zinc/60/19/88/597601988.db2.gz AIIDQLZPNFGSQW-UHFFFAOYSA-N 2 1 343.475 1.608 20 0 EDADMP O=c1oc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc2o1 ZINC000883014246 597618559 /nfs/dbraw/zinc/61/85/59/597618559.db2.gz MFKNRDWKFMNITP-CQSZACIVSA-N 2 1 332.400 1.977 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881473358 597631014 /nfs/dbraw/zinc/63/10/14/597631014.db2.gz ZTSHENIMPBONCQ-QGZVFWFLSA-N 2 1 334.464 1.731 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879578888 597640776 /nfs/dbraw/zinc/64/07/76/597640776.db2.gz IIAMLUTUEVNWIK-KFWWJZLASA-N 2 1 327.469 1.288 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879578888 597640777 /nfs/dbraw/zinc/64/07/77/597640777.db2.gz IIAMLUTUEVNWIK-KFWWJZLASA-N 2 1 327.469 1.288 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879578888 597640779 /nfs/dbraw/zinc/64/07/79/597640779.db2.gz IIAMLUTUEVNWIK-KFWWJZLASA-N 2 1 327.469 1.288 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879578888 597640780 /nfs/dbraw/zinc/64/07/80/597640780.db2.gz IIAMLUTUEVNWIK-KFWWJZLASA-N 2 1 327.469 1.288 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CC[C@H]21 ZINC000879580145 597642338 /nfs/dbraw/zinc/64/23/38/597642338.db2.gz RVBSTOAPEWUNKA-AQNXPRMDSA-N 2 1 329.488 1.649 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC000879580145 597642341 /nfs/dbraw/zinc/64/23/41/597642341.db2.gz RVBSTOAPEWUNKA-AQNXPRMDSA-N 2 1 329.488 1.649 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC000879580145 597642345 /nfs/dbraw/zinc/64/23/45/597642345.db2.gz RVBSTOAPEWUNKA-AQNXPRMDSA-N 2 1 329.488 1.649 20 0 EDADMP C[C@@H](C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](C)CO)c1ccccc1 ZINC000878619392 597657014 /nfs/dbraw/zinc/65/70/14/597657014.db2.gz LQOTZCAFTPHSEL-IRXDYDNUSA-N 2 1 347.503 1.683 20 0 EDADMP CC[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000883127170 597659149 /nfs/dbraw/zinc/65/91/49/597659149.db2.gz NSESQBQSMARYKQ-SFHVURJKSA-N 2 1 345.491 1.202 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000883127170 597659151 /nfs/dbraw/zinc/65/91/51/597659151.db2.gz NSESQBQSMARYKQ-SFHVURJKSA-N 2 1 345.491 1.202 20 0 EDADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702505 597694781 /nfs/dbraw/zinc/69/47/81/597694781.db2.gz NLUVTNCPRDBARM-AWEZNQCLSA-N 2 1 326.485 1.520 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1CCC3(CCOCC3)CO1)CCO2 ZINC000878769392 597706220 /nfs/dbraw/zinc/70/62/20/597706220.db2.gz OOLKYBNOZQWURD-KRWDZBQOSA-N 2 1 338.492 1.759 20 0 EDADMP C[N@@H+](CCN1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1)Cc1ccccc1 ZINC000883423389 597742024 /nfs/dbraw/zinc/74/20/24/597742024.db2.gz JXVZMRPAMWWBJM-OALUTQOASA-N 2 1 334.483 1.436 20 0 EDADMP CC1([NH+]2CCCCC2)CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000879950206 597780880 /nfs/dbraw/zinc/78/08/80/597780880.db2.gz JJMLPXRTBGDDLZ-UHFFFAOYSA-N 2 1 326.441 1.522 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883510049 597782229 /nfs/dbraw/zinc/78/22/29/597782229.db2.gz HCJFREWMSSPCGG-RKVPGOIHSA-N 2 1 343.475 1.784 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)CC1 ZINC000879035689 597794038 /nfs/dbraw/zinc/79/40/38/597794038.db2.gz BUDXIGGVCKDVIL-IBGZPJMESA-N 2 1 331.460 1.180 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)CC1 ZINC000879035689 597794039 /nfs/dbraw/zinc/79/40/39/597794039.db2.gz BUDXIGGVCKDVIL-IBGZPJMESA-N 2 1 331.460 1.180 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883585720 597814492 /nfs/dbraw/zinc/81/44/92/597814492.db2.gz WIZGRFKEVHEOPS-YOEHRIQHSA-N 2 1 331.464 1.830 20 0 EDADMP COCC[N@@H+](C[C@H](O)COc1ccccc1)CC1CC[NH+](C)CC1 ZINC000879121597 597825543 /nfs/dbraw/zinc/82/55/43/597825543.db2.gz CZLTUDZCVIXHJL-SFHVURJKSA-N 2 1 336.476 1.717 20 0 EDADMP CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000883626826 597834751 /nfs/dbraw/zinc/83/47/51/597834751.db2.gz IBBKNQWMKKXATL-UHFFFAOYSA-N 2 1 329.404 1.311 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000883770173 597895295 /nfs/dbraw/zinc/89/52/95/597895295.db2.gz LVOUMVGUDAKADV-BBWFWOEESA-N 2 1 342.528 1.763 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000883770173 597895297 /nfs/dbraw/zinc/89/52/97/597895297.db2.gz LVOUMVGUDAKADV-BBWFWOEESA-N 2 1 342.528 1.763 20 0 EDADMP CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000880436276 597934077 /nfs/dbraw/zinc/93/40/77/597934077.db2.gz UEXQPOILRLGPGM-OALUTQOASA-N 2 1 334.460 1.755 20 0 EDADMP CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000880436276 597934079 /nfs/dbraw/zinc/93/40/79/597934079.db2.gz UEXQPOILRLGPGM-OALUTQOASA-N 2 1 334.460 1.755 20 0 EDADMP CCC[N@@H+](C)CC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882379331 597950939 /nfs/dbraw/zinc/95/09/39/597950939.db2.gz WJGXZJOWGYTIFJ-UHFFFAOYSA-N 2 1 347.503 1.862 20 0 EDADMP CCN1CCC([NH+]2CCC(C(=O)NC[C@@H]3CC[N@H+]3CC)CC2)CC1 ZINC000882491036 597975776 /nfs/dbraw/zinc/97/57/76/597975776.db2.gz ADHSIXUTCFQDMG-SFHVURJKSA-N 2 1 336.524 1.393 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000884180012 598016872 /nfs/dbraw/zinc/01/68/72/598016872.db2.gz JNTFBZVOQJBWTF-SFHVURJKSA-N 2 1 349.475 1.371 20 0 EDADMP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884198587 598024985 /nfs/dbraw/zinc/02/49/85/598024985.db2.gz AQAUMPOYTOUWMG-CHWSQXEVSA-N 2 1 326.238 1.659 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884198587 598024988 /nfs/dbraw/zinc/02/49/88/598024988.db2.gz AQAUMPOYTOUWMG-CHWSQXEVSA-N 2 1 326.238 1.659 20 0 EDADMP [NH3+][C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1C(F)(F)F ZINC000884298863 598058535 /nfs/dbraw/zinc/05/85/35/598058535.db2.gz FODROMUYTJPVMV-GHMZBOCLSA-N 2 1 337.292 1.819 20 0 EDADMP C[NH+](C)CCOCCNC(=O)[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884319435 598065096 /nfs/dbraw/zinc/06/50/96/598065096.db2.gz VITLLNKDWJVYNL-CYBMUJFWSA-N 2 1 333.354 1.400 20 0 EDADMP COCC[C@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000884325614 598068101 /nfs/dbraw/zinc/06/81/01/598068101.db2.gz VZAWXKGAKILBDC-SFHVURJKSA-N 2 1 345.487 1.865 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000130315367 598086929 /nfs/dbraw/zinc/08/69/29/598086929.db2.gz OVWUFYMYAGRUKO-WCVJEAGWSA-N 2 1 338.496 1.362 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C[C@@H]1C ZINC000130315367 598086932 /nfs/dbraw/zinc/08/69/32/598086932.db2.gz OVWUFYMYAGRUKO-WCVJEAGWSA-N 2 1 338.496 1.362 20 0 EDADMP C[N@H+]1CCN(C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CCC1(C)C ZINC000884464877 598113032 /nfs/dbraw/zinc/11/30/32/598113032.db2.gz FNNXEQNINNZTCA-MRXNPFEDSA-N 2 1 328.460 1.980 20 0 EDADMP CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC000992735935 695255665 /nfs/dbraw/zinc/25/56/65/695255665.db2.gz BSSORMSZJYJYGV-NUEKZKHPSA-N 2 1 334.464 1.975 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CC3)[C@@H]2C1 ZINC000992854647 695409886 /nfs/dbraw/zinc/40/98/86/695409886.db2.gz IUVZNPTYUNOVGM-RCCFBDPRSA-N 2 1 335.492 1.335 20 0 EDADMP CCc1ccc(CN2CCN(C(=O)[C@]3(C)C[C@H](O)CN3C)CC2)cc1 ZINC000915042411 695720630 /nfs/dbraw/zinc/72/06/30/695720630.db2.gz YTETXUXVWYCAGT-ICSRJNTNSA-N 2 1 345.487 1.348 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)C2 ZINC000915154013 695752779 /nfs/dbraw/zinc/75/27/79/695752779.db2.gz RJNFBRNIZAQYMB-JLOCXQCDSA-N 2 1 340.512 1.106 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(c3cc[nH+]cc3)[C@H](C)C1)CC2 ZINC000915266066 695773868 /nfs/dbraw/zinc/77/38/68/695773868.db2.gz BKKGSWKHCAKHHY-GDBMZVCRSA-N 2 1 339.443 1.886 20 0 EDADMP Cc1cc(N[C@@H]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]23)nc(C)[nH+]1 ZINC001060536013 695840444 /nfs/dbraw/zinc/84/04/44/695840444.db2.gz YREZUGACYNIKNX-BRWVUGGUSA-N 2 1 343.475 1.838 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@H+]1CCn1cccn1 ZINC000993527443 696206477 /nfs/dbraw/zinc/20/64/77/696206477.db2.gz JBJVRGDFROHQTA-SJORKVTESA-N 2 1 345.491 1.481 20 0 EDADMP CCCC[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000993980700 696480446 /nfs/dbraw/zinc/48/04/46/696480446.db2.gz BPGUIARICAVKMB-NVXWUHKLSA-N 2 1 335.496 1.828 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)C(C)C ZINC000916160594 696631428 /nfs/dbraw/zinc/63/14/28/696631428.db2.gz CDKIUEHHWYCCCL-INIZCTEOSA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH+](CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)C(C)C ZINC000916160594 696631430 /nfs/dbraw/zinc/63/14/30/696631430.db2.gz CDKIUEHHWYCCCL-INIZCTEOSA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH+](CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)C(C)C ZINC000916160594 696631432 /nfs/dbraw/zinc/63/14/32/696631432.db2.gz CDKIUEHHWYCCCL-INIZCTEOSA-N 2 1 326.485 1.269 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001015710279 696644326 /nfs/dbraw/zinc/64/43/26/696644326.db2.gz IWVHYNUBQTXPLW-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP CO[C@@H](C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001015710279 696644327 /nfs/dbraw/zinc/64/43/27/696644327.db2.gz IWVHYNUBQTXPLW-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP CO[C@@H](C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001015710279 696644328 /nfs/dbraw/zinc/64/43/28/696644328.db2.gz IWVHYNUBQTXPLW-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000940008330 700109902 /nfs/dbraw/zinc/10/99/02/700109902.db2.gz JCDRGZIPMYLJSA-MRXNPFEDSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000940008535 700110426 /nfs/dbraw/zinc/11/04/26/700110426.db2.gz ROSYCHCMDYSSGI-INIZCTEOSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCOC2CCC2)[C@H]1C ZINC000994429381 696856924 /nfs/dbraw/zinc/85/69/24/696856924.db2.gz YLQYVAZFVGEQTO-YOEHRIQHSA-N 2 1 334.464 1.730 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCOC2CCC2)[C@H]1C ZINC000994429381 696856926 /nfs/dbraw/zinc/85/69/26/696856926.db2.gz YLQYVAZFVGEQTO-YOEHRIQHSA-N 2 1 334.464 1.730 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](CCO)C3CC3)cc2)CC1 ZINC000917115807 696938497 /nfs/dbraw/zinc/93/84/97/696938497.db2.gz MEQPPSUDJCUPQP-UHFFFAOYSA-N 2 1 346.475 1.224 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](CCO)C3CC3)cc2)CC1 ZINC000917115807 696938500 /nfs/dbraw/zinc/93/85/00/696938500.db2.gz MEQPPSUDJCUPQP-UHFFFAOYSA-N 2 1 346.475 1.224 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC[C@@H]3CCCC3(F)F)C2)C1 ZINC001031418940 697072797 /nfs/dbraw/zinc/07/27/97/697072797.db2.gz PIEFUMCEQGLVKJ-DZGCQCFKSA-N 2 1 345.434 1.333 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CN(CC[C@@H]3CCCC3(F)F)C2)C1 ZINC001031418940 697072800 /nfs/dbraw/zinc/07/28/00/697072800.db2.gz PIEFUMCEQGLVKJ-DZGCQCFKSA-N 2 1 345.434 1.333 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001031584479 697279746 /nfs/dbraw/zinc/27/97/46/697279746.db2.gz DDTLPRSGCNQFPI-ZFWWWQNUSA-N 2 1 329.435 1.954 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001031584495 697279794 /nfs/dbraw/zinc/27/97/94/697279794.db2.gz DQQMIEMZODWDPF-UZLBHIALSA-N 2 1 341.499 1.934 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000920236481 697410262 /nfs/dbraw/zinc/41/02/62/697410262.db2.gz PGMQCCGRZITFIV-QLFBSQMISA-N 2 1 326.510 1.350 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000920266848 697417279 /nfs/dbraw/zinc/41/72/79/697417279.db2.gz XZWNUFCNDKEVFW-YOEHRIQHSA-N 2 1 330.476 1.477 20 0 EDADMP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CCCC1 ZINC001031681532 697505055 /nfs/dbraw/zinc/50/50/55/697505055.db2.gz WSNIMVMTUJVNAF-OLMNPRSZSA-N 2 1 337.508 1.580 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921438373 697613275 /nfs/dbraw/zinc/61/32/75/697613275.db2.gz ZKTFDGYLIJFUPX-OAGGEKHMSA-N 2 1 340.537 1.740 20 0 EDADMP C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2cnc[nH]2)CC1 ZINC001060750363 697731568 /nfs/dbraw/zinc/73/15/68/697731568.db2.gz XCQGPTYTCCZKBA-SHTZXODSSA-N 2 1 349.479 1.085 20 0 EDADMP CCn1ccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000995035183 700174013 /nfs/dbraw/zinc/17/40/13/700174013.db2.gz HOKAKBMVUBJCSI-HOTGVXAUSA-N 2 1 344.463 1.483 20 0 EDADMP O=C(NCC1C[NH+](CCC[C@H]2CCOC2)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001031730890 698093547 /nfs/dbraw/zinc/09/35/47/698093547.db2.gz AJIAVLVQTHQBNJ-DOTOQJQBSA-N 2 1 346.475 1.625 20 0 EDADMP O=C(NCC1C[NH+](C[C@@H]2CCCOC2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001031732148 698121021 /nfs/dbraw/zinc/12/10/21/698121021.db2.gz VPUMNIOGCCUOMH-HOCLYGCPSA-N 2 1 332.448 1.235 20 0 EDADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943518424 698433218 /nfs/dbraw/zinc/43/32/18/698433218.db2.gz RYTXQYRXEQMVLB-FUHWJXTLSA-N 2 1 349.523 1.931 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943772103 698877728 /nfs/dbraw/zinc/87/77/28/698877728.db2.gz QEUVRENMUAFXPS-RHSMWYFYSA-N 2 1 343.431 1.354 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943772103 698877731 /nfs/dbraw/zinc/87/77/31/698877731.db2.gz QEUVRENMUAFXPS-RHSMWYFYSA-N 2 1 343.431 1.354 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943875937 698998587 /nfs/dbraw/zinc/99/85/87/698998587.db2.gz FZLRLNHTTFXQEG-NVXWUHKLSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2C)CC1 ZINC000943877080 699000295 /nfs/dbraw/zinc/00/02/95/699000295.db2.gz LZLMGPGCRWGFJB-WBVHZDCISA-N 2 1 325.497 1.316 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1C ZINC001031765709 699056842 /nfs/dbraw/zinc/05/68/42/699056842.db2.gz MSRGKWRDNGLSTO-VQIMIIECSA-N 2 1 345.487 1.571 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1C ZINC001031765709 699056846 /nfs/dbraw/zinc/05/68/46/699056846.db2.gz MSRGKWRDNGLSTO-VQIMIIECSA-N 2 1 345.487 1.571 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939133982 699219071 /nfs/dbraw/zinc/21/90/71/699219071.db2.gz VGSSRQBZRYSPIA-YOEHRIQHSA-N 2 1 348.491 1.905 20 0 EDADMP C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1[NH2+]CC1CC1 ZINC000939145363 699246078 /nfs/dbraw/zinc/24/60/78/699246078.db2.gz BMNZJXYDPUTUHQ-DYVFJYSZSA-N 2 1 332.448 1.731 20 0 EDADMP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1[NH2+]Cc1ccon1 ZINC000939506685 699630671 /nfs/dbraw/zinc/63/06/71/699630671.db2.gz QEOZKAGZJQGBMG-KDOFPFPSSA-N 2 1 346.475 1.733 20 0 EDADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000939549559 699675255 /nfs/dbraw/zinc/67/52/55/699675255.db2.gz ATORHJGKFTUCDZ-CZUORRHYSA-N 2 1 344.459 1.584 20 0 EDADMP Cc1cnc(CN[C@H]2CN(C(=O)Cc3[nH]cnc3C)C[C@@H]2C)s1 ZINC000939627406 699765032 /nfs/dbraw/zinc/76/50/32/699765032.db2.gz SJLGTHMUDMXCNJ-HZMBPMFUSA-N 2 1 333.461 1.662 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1)C1CCC1 ZINC000940154068 700284259 /nfs/dbraw/zinc/28/42/59/700284259.db2.gz NXWNULGHLREDSI-UHFFFAOYSA-N 2 1 337.508 1.868 20 0 EDADMP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000940159764 700292949 /nfs/dbraw/zinc/29/29/49/700292949.db2.gz UANMBASLKYTPSS-QGZVFWFLSA-N 2 1 347.507 1.765 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)ncn1 ZINC000940179479 700313252 /nfs/dbraw/zinc/31/32/52/700313252.db2.gz VOPVKCJINDAFIX-QGZVFWFLSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2ccns2)CC1 ZINC000940214208 700353735 /nfs/dbraw/zinc/35/37/35/700353735.db2.gz AMTNAYIJGWAHGG-UHFFFAOYSA-N 2 1 333.461 1.819 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000940214421 700354141 /nfs/dbraw/zinc/35/41/41/700354141.db2.gz LYQLVGXSUUYLDL-MRXNPFEDSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC000940282854 700472159 /nfs/dbraw/zinc/47/21/59/700472159.db2.gz XPOCBFXKIALGCW-ZFWWWQNUSA-N 2 1 349.479 1.579 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1 ZINC000940328079 700505888 /nfs/dbraw/zinc/50/58/88/700505888.db2.gz FGXKIERFVQBIBU-LSDHHAIUSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1 ZINC000940329167 700508612 /nfs/dbraw/zinc/50/86/12/700508612.db2.gz QOSDECBCBDXIAW-CYBMUJFWSA-N 2 1 337.493 1.493 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1 ZINC000940329167 700508615 /nfs/dbraw/zinc/50/86/15/700508615.db2.gz QOSDECBCBDXIAW-CYBMUJFWSA-N 2 1 337.493 1.493 20 0 EDADMP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000940329244 700508690 /nfs/dbraw/zinc/50/86/90/700508690.db2.gz SGAAFKLWWVRLRH-ZDUSSCGKSA-N 2 1 335.452 1.333 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]Cc3nncs3)CC2)C1 ZINC000940426531 700620496 /nfs/dbraw/zinc/62/04/96/700620496.db2.gz VGDZVAXZTJHBOV-ZDUSSCGKSA-N 2 1 337.493 1.351 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]Cc3csnn3)CC2)C1 ZINC000940426554 700620527 /nfs/dbraw/zinc/62/05/27/700620527.db2.gz WRTSUDSTGFWZNO-CYBMUJFWSA-N 2 1 337.493 1.351 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CC(=O)N(C)C2=O)CC1 ZINC000182290671 700631493 /nfs/dbraw/zinc/63/14/93/700631493.db2.gz JIUBUXYTWBJFIN-HNNXBMFYSA-N 2 1 336.480 1.814 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CC(=O)N(C)C2=O)CC1 ZINC000182290671 700631497 /nfs/dbraw/zinc/63/14/97/700631497.db2.gz JIUBUXYTWBJFIN-HNNXBMFYSA-N 2 1 336.480 1.814 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccccn3)CC2)C1 ZINC000940466686 700652776 /nfs/dbraw/zinc/65/27/76/700652776.db2.gz BJALTRNYEIUMGC-QGZVFWFLSA-N 2 1 346.475 1.273 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccccn3)CC2)C1 ZINC000940466686 700652778 /nfs/dbraw/zinc/65/27/78/700652778.db2.gz BJALTRNYEIUMGC-QGZVFWFLSA-N 2 1 346.475 1.273 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940472532 700657785 /nfs/dbraw/zinc/65/77/85/700657785.db2.gz BVRIZJFQFDNLNP-KRWDZBQOSA-N 2 1 347.507 1.765 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3C)CC2)co1 ZINC000940461687 700664973 /nfs/dbraw/zinc/66/49/73/700664973.db2.gz IHBXACCETRDWDP-UHFFFAOYSA-N 2 1 331.420 1.659 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]Cc2cc(C)ncn2)CC1 ZINC000940462085 700665982 /nfs/dbraw/zinc/66/59/82/700665982.db2.gz ZMPDYYUODNCFLK-UHFFFAOYSA-N 2 1 342.447 1.461 20 0 EDADMP Cc1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995078509 700669785 /nfs/dbraw/zinc/66/97/85/700669785.db2.gz KHSUSQWYMFXTPT-ZFWWWQNUSA-N 2 1 335.452 1.094 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940625700 700787730 /nfs/dbraw/zinc/78/77/30/700787730.db2.gz UZIMXDNQNFAZQJ-HZPDHXFCSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625700 700787733 /nfs/dbraw/zinc/78/77/33/700787733.db2.gz UZIMXDNQNFAZQJ-HZPDHXFCSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625700 700787734 /nfs/dbraw/zinc/78/77/34/700787734.db2.gz UZIMXDNQNFAZQJ-HZPDHXFCSA-N 2 1 334.464 1.794 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ccon3)C2)C1 ZINC000995099648 700884303 /nfs/dbraw/zinc/88/43/03/700884303.db2.gz ABDFTAOYCCABGG-LSDHHAIUSA-N 2 1 334.464 1.781 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CCCF)CC2(C)C)O1 ZINC000940840419 700936712 /nfs/dbraw/zinc/93/67/12/700936712.db2.gz WBQXQPAROIPXDM-RBSFLKMASA-N 2 1 329.460 1.282 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CCCF)CC2(C)C)O1 ZINC000940840419 700936713 /nfs/dbraw/zinc/93/67/13/700936713.db2.gz WBQXQPAROIPXDM-RBSFLKMASA-N 2 1 329.460 1.282 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@H+](CCCF)CC2(C)C)O1 ZINC000940840419 700936714 /nfs/dbraw/zinc/93/67/14/700936714.db2.gz WBQXQPAROIPXDM-RBSFLKMASA-N 2 1 329.460 1.282 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCF)CC2(C)C)O1 ZINC000940840419 700936715 /nfs/dbraw/zinc/93/67/15/700936715.db2.gz WBQXQPAROIPXDM-RBSFLKMASA-N 2 1 329.460 1.282 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000940892820 700968068 /nfs/dbraw/zinc/96/80/68/700968068.db2.gz LPMSXOZBFQDZCD-KRWDZBQOSA-N 2 1 348.491 1.625 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000940892820 700968069 /nfs/dbraw/zinc/96/80/69/700968069.db2.gz LPMSXOZBFQDZCD-KRWDZBQOSA-N 2 1 348.491 1.625 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940943707 701010001 /nfs/dbraw/zinc/01/00/01/701010001.db2.gz NAGSAKXFQOEVQK-CABCVRRESA-N 2 1 325.497 1.458 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940943710 701010064 /nfs/dbraw/zinc/01/00/64/701010064.db2.gz NAGSAKXFQOEVQK-LSDHHAIUSA-N 2 1 325.497 1.458 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940973877 701015942 /nfs/dbraw/zinc/01/59/42/701015942.db2.gz YKUQQQFSUKBGRG-HOTGVXAUSA-N 2 1 325.497 1.317 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CCO)CC2(C)C)C1 ZINC000940973877 701015943 /nfs/dbraw/zinc/01/59/43/701015943.db2.gz YKUQQQFSUKBGRG-HOTGVXAUSA-N 2 1 325.497 1.317 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CCO)CC2(C)C)C1 ZINC000940973877 701015945 /nfs/dbraw/zinc/01/59/45/701015945.db2.gz YKUQQQFSUKBGRG-HOTGVXAUSA-N 2 1 325.497 1.317 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941028285 701068393 /nfs/dbraw/zinc/06/83/93/701068393.db2.gz KSXKHKIHMJMRRO-JKSUJKDBSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2ccnn2C)CC1(C)C ZINC000941033335 701075820 /nfs/dbraw/zinc/07/58/20/701075820.db2.gz ORXVZROPIVXKEB-NVXWUHKLSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)CC1(C)C ZINC000941033335 701075821 /nfs/dbraw/zinc/07/58/21/701075821.db2.gz ORXVZROPIVXKEB-NVXWUHKLSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)CC1(C)C ZINC000941033335 701075823 /nfs/dbraw/zinc/07/58/23/701075823.db2.gz ORXVZROPIVXKEB-NVXWUHKLSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)Cn3ccnc3)[C@H](C)C2)o1 ZINC000945806355 701196223 /nfs/dbraw/zinc/19/62/23/701196223.db2.gz CXNZRQGTMTWZFA-IUODEOHRSA-N 2 1 331.420 1.515 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3ncccn3)CC2(C)C)C1 ZINC000941163980 701229202 /nfs/dbraw/zinc/22/92/02/701229202.db2.gz RCPDIPZXTZOCHS-CVEARBPZSA-N 2 1 345.491 1.535 20 0 EDADMP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CC([NH2+]Cc2nncs2)C1 ZINC000999168473 706596157 /nfs/dbraw/zinc/59/61/57/706596157.db2.gz JPFYJPWHICCIOQ-ZBCRRDGASA-N 2 1 349.504 1.492 20 0 EDADMP CC1(C)C[N@@H+](CC[C@H]2CCOC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167096 701378182 /nfs/dbraw/zinc/37/81/82/701378182.db2.gz QUTNCXMTXLMARH-IRXDYDNUSA-N 2 1 349.519 1.726 20 0 EDADMP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941169101 701379799 /nfs/dbraw/zinc/37/97/99/701379799.db2.gz IWXSMKPGYFGCPR-CJNGLKHVSA-N 2 1 334.464 1.359 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941169101 701379800 /nfs/dbraw/zinc/37/98/00/701379800.db2.gz IWXSMKPGYFGCPR-CJNGLKHVSA-N 2 1 334.464 1.359 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214845 701401204 /nfs/dbraw/zinc/40/12/04/701401204.db2.gz FABYYIJDWFLPDZ-INIZCTEOSA-N 2 1 334.464 1.796 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CC([NH2+]Cc2cnsn2)C1 ZINC000999169878 706599297 /nfs/dbraw/zinc/59/92/97/706599297.db2.gz WMRFJJCAHNHIFV-BCLQGDPASA-N 2 1 349.504 1.492 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221170 701411785 /nfs/dbraw/zinc/41/17/85/701411785.db2.gz MERCPKJZGCWKNM-KRWDZBQOSA-N 2 1 347.507 1.541 20 0 EDADMP CC1(C)C[N@@H+](CC[C@H]2CCOC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221552 701412285 /nfs/dbraw/zinc/41/22/85/701412285.db2.gz XCPIIIUAZGJSND-DLBZAZTESA-N 2 1 337.508 1.726 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC[C@H]2CCCO2)CC1(C)C ZINC000941223251 701413625 /nfs/dbraw/zinc/41/36/25/701413625.db2.gz CXMIAVYGQQKHCQ-SJORKVTESA-N 2 1 348.491 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC[C@H]2CCCO2)CC1(C)C ZINC000941223251 701413626 /nfs/dbraw/zinc/41/36/26/701413626.db2.gz CXMIAVYGQQKHCQ-SJORKVTESA-N 2 1 348.491 1.977 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccc(C)c(C)c3)C2)C1 ZINC001032202006 701909648 /nfs/dbraw/zinc/90/96/48/701909648.db2.gz MWXNGXIQKAOZQA-IBGZPJMESA-N 2 1 345.487 1.572 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccc(C)c(C)c3)C2)C1 ZINC001032202006 701909652 /nfs/dbraw/zinc/90/96/52/701909652.db2.gz MWXNGXIQKAOZQA-IBGZPJMESA-N 2 1 345.487 1.572 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1C[NH+](CC3CCOCC3)C1)C2 ZINC001031977699 702031872 /nfs/dbraw/zinc/03/18/72/702031872.db2.gz GQTXCOPCYRUUKH-QGZVFWFLSA-N 2 1 346.475 1.229 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)oc1C ZINC000995827287 702100694 /nfs/dbraw/zinc/10/06/94/702100694.db2.gz UIYFESHODCDWCR-FVQBIDKESA-N 2 1 348.491 1.958 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)oc1C ZINC000995827287 702100697 /nfs/dbraw/zinc/10/06/97/702100697.db2.gz UIYFESHODCDWCR-FVQBIDKESA-N 2 1 348.491 1.958 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001032205855 702107983 /nfs/dbraw/zinc/10/79/83/702107983.db2.gz KOCQSOMRJFDNGT-QZTJIDSGSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001032182833 702212582 /nfs/dbraw/zinc/21/25/82/702212582.db2.gz SGMRXQBLNVFGMB-INIZCTEOSA-N 2 1 329.444 1.217 20 0 EDADMP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)cn1 ZINC000995920209 702241390 /nfs/dbraw/zinc/24/13/90/702241390.db2.gz TYQAHUWAECPITL-QGZVFWFLSA-N 2 1 347.507 1.274 20 0 EDADMP CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1[NH2+]Cc1ccon1 ZINC000995971338 702356111 /nfs/dbraw/zinc/35/61/11/702356111.db2.gz WGHLNLHPKKZCCQ-INIZCTEOSA-N 2 1 346.475 1.877 20 0 EDADMP CCn1ncnc1CN[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995973941 702358647 /nfs/dbraw/zinc/35/86/47/702358647.db2.gz GLOZORAPBQVPAR-CABCVRRESA-N 2 1 348.495 1.109 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995973941 702358659 /nfs/dbraw/zinc/35/86/59/702358659.db2.gz GLOZORAPBQVPAR-CABCVRRESA-N 2 1 348.495 1.109 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995996917 702375608 /nfs/dbraw/zinc/37/56/08/702375608.db2.gz NIGNBODIBINWSQ-INIZCTEOSA-N 2 1 346.475 1.938 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cncs2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170837 702415268 /nfs/dbraw/zinc/41/52/68/702415268.db2.gz VNHYRGINDVXPIA-DZGCQCFKSA-N 2 1 334.489 1.566 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)s1 ZINC000944154719 702446162 /nfs/dbraw/zinc/44/61/62/702446162.db2.gz LPINPDRZKZVJOJ-CZUORRHYSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCOC2)C(C)(C)C1 ZINC000996040510 702455641 /nfs/dbraw/zinc/45/56/41/702455641.db2.gz BQJDQWLVMPMOOC-CVEARBPZSA-N 2 1 334.464 1.445 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)C(C)(C)C1 ZINC000996043654 702461944 /nfs/dbraw/zinc/46/19/44/702461944.db2.gz POZXVDFMBJZETN-DLBZAZTESA-N 2 1 348.491 1.977 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942055586 702502753 /nfs/dbraw/zinc/50/27/53/702502753.db2.gz BEGGIIJKVSMFBU-CVEARBPZSA-N 2 1 335.496 1.541 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOC2CCC2)CC1 ZINC001032665776 706678536 /nfs/dbraw/zinc/67/85/36/706678536.db2.gz FSLBLUUKIDZFKZ-IRXDYDNUSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOC2CCC2)CC1 ZINC001032665776 706678537 /nfs/dbraw/zinc/67/85/37/706678537.db2.gz FSLBLUUKIDZFKZ-IRXDYDNUSA-N 2 1 335.492 1.573 20 0 EDADMP CC(C)(C(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1)[NH+]1CCCC1 ZINC000996124709 702554848 /nfs/dbraw/zinc/55/48/48/702554848.db2.gz HSILPLRGWSTPHZ-HNNXBMFYSA-N 2 1 334.464 1.876 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCC3CC3)C(C)(C)C2)C1 ZINC000996185204 702588496 /nfs/dbraw/zinc/58/84/96/702588496.db2.gz GAJANHHFBVNNIA-IAGOWNOFSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCC3CC3)C(C)(C)C2)C1 ZINC000996185204 702588501 /nfs/dbraw/zinc/58/85/01/702588501.db2.gz GAJANHHFBVNNIA-IAGOWNOFSA-N 2 1 337.508 1.722 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000999225616 706683891 /nfs/dbraw/zinc/68/38/91/706683891.db2.gz YIPCIYHXWLDJQT-UHFFFAOYSA-N 2 1 349.479 1.585 20 0 EDADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300444 702691660 /nfs/dbraw/zinc/69/16/60/702691660.db2.gz MGVXVTAWDFYVOL-WMLDXEAASA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996300536 702692356 /nfs/dbraw/zinc/69/23/56/702692356.db2.gz NPEXQXKIJNHHFU-PBHICJAKSA-N 2 1 347.507 1.397 20 0 EDADMP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996307319 702695156 /nfs/dbraw/zinc/69/51/56/702695156.db2.gz ASRTVYWKBBUJIY-MRXNPFEDSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cncn2C)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256079 702747485 /nfs/dbraw/zinc/74/74/85/702747485.db2.gz CPPGUCXWJCGDRG-RDJZCZTQSA-N 2 1 345.491 1.375 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)cn1 ZINC000996463539 702791319 /nfs/dbraw/zinc/79/13/19/702791319.db2.gz HQVAREAYVVPMQO-SFHVURJKSA-N 2 1 345.491 1.738 20 0 EDADMP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996500187 702839276 /nfs/dbraw/zinc/83/92/76/702839276.db2.gz CWNHJCBWCSXPBI-PKOBYXMFSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1cnc([C@H](C)[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)o1 ZINC000996520570 702856454 /nfs/dbraw/zinc/85/64/54/702856454.db2.gz PNJRGUWIVRNETR-LSDHHAIUSA-N 2 1 346.475 1.966 20 0 EDADMP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996610820 702916179 /nfs/dbraw/zinc/91/61/79/702916179.db2.gz KVLFOXMFVFBIJL-UKRRQHHQSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C(C)(C)C1 ZINC000996611784 702917088 /nfs/dbraw/zinc/91/70/88/702917088.db2.gz PGACXIIWDNBWFT-JKSUJKDBSA-N 2 1 334.464 1.587 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)C1 ZINC000996616779 702923806 /nfs/dbraw/zinc/92/38/06/702923806.db2.gz UISSZDQPXUEBNH-KGLIPLIRSA-N 2 1 329.435 1.810 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)C1 ZINC000996617694 702924492 /nfs/dbraw/zinc/92/44/92/702924492.db2.gz VTBFNVGVEKJEPO-BBRMVZONSA-N 2 1 334.439 1.499 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3coc(C4CC4)n3)C(C)(C)C2)C1 ZINC000996618491 702925112 /nfs/dbraw/zinc/92/51/12/702925112.db2.gz XKJHEAOFDLTFPG-GOEBONIOSA-N 2 1 346.475 1.830 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3coc(C4CC4)n3)C(C)(C)C2)C1 ZINC000996618491 702925114 /nfs/dbraw/zinc/92/51/14/702925114.db2.gz XKJHEAOFDLTFPG-GOEBONIOSA-N 2 1 346.475 1.830 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)C(C)(C)C1 ZINC000996622128 702927651 /nfs/dbraw/zinc/92/76/51/702927651.db2.gz LSDPFKMWKPVFSM-QGZVFWFLSA-N 2 1 341.459 1.922 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996665251 702967896 /nfs/dbraw/zinc/96/78/96/702967896.db2.gz AQXFTLDAXRNIHR-IRXDYDNUSA-N 2 1 347.507 1.621 20 0 EDADMP CCn1ccc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000996688318 702985740 /nfs/dbraw/zinc/98/57/40/702985740.db2.gz IADWCCLWDNZEDU-SFHVURJKSA-N 2 1 347.507 1.858 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000996692265 702989469 /nfs/dbraw/zinc/98/94/69/702989469.db2.gz XKRPAJIINMCXNQ-OAHLLOKOSA-N 2 1 334.468 1.068 20 0 EDADMP Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000996711903 703006969 /nfs/dbraw/zinc/00/69/69/703006969.db2.gz MZDXFWLJCQXGEH-SJORKVTESA-N 2 1 345.491 1.518 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2nccnc2C)C[C@@H]1C ZINC000942517988 703011878 /nfs/dbraw/zinc/01/18/78/703011878.db2.gz KGUGGILIWVWEMA-BBRMVZONSA-N 2 1 342.447 1.317 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2nccnc2C)C[C@@H]1C ZINC000942517988 703011880 /nfs/dbraw/zinc/01/18/80/703011880.db2.gz KGUGGILIWVWEMA-BBRMVZONSA-N 2 1 342.447 1.317 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)O1 ZINC000996721204 703016532 /nfs/dbraw/zinc/01/65/32/703016532.db2.gz XOUQJSMFDAOOTF-IUODEOHRSA-N 2 1 345.434 1.331 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)O1 ZINC000996721204 703016534 /nfs/dbraw/zinc/01/65/34/703016534.db2.gz XOUQJSMFDAOOTF-IUODEOHRSA-N 2 1 345.434 1.331 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000942537404 703038077 /nfs/dbraw/zinc/03/80/77/703038077.db2.gz AJEVDQPFIJABGE-QAPCUYQASA-N 2 1 342.443 1.959 20 0 EDADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996751704 703052344 /nfs/dbraw/zinc/05/23/44/703052344.db2.gz LQVCDSGORPJBSX-UHFFFAOYSA-N 2 1 349.479 1.803 20 0 EDADMP Cc1conc1C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597064 703111578 /nfs/dbraw/zinc/11/15/78/703111578.db2.gz IPTAZTPCXIABQB-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597064 703111580 /nfs/dbraw/zinc/11/15/80/703111580.db2.gz IPTAZTPCXIABQB-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC([NH2+]CC2CCC2)CC1 ZINC000996822234 703112232 /nfs/dbraw/zinc/11/22/32/703112232.db2.gz KRCJSCPYPJWOHL-RMXPPQQLSA-N 2 1 333.476 1.230 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)nn1 ZINC000996996158 703251828 /nfs/dbraw/zinc/25/18/28/703251828.db2.gz VQAUAYVZJMREDC-AWEZNQCLSA-N 2 1 347.463 1.050 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000996995744 703252501 /nfs/dbraw/zinc/25/25/01/703252501.db2.gz QBUXAIDKWPXAAI-ZDUSSCGKSA-N 2 1 334.464 1.714 20 0 EDADMP CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000996995929 703252969 /nfs/dbraw/zinc/25/29/69/703252969.db2.gz UJRILUGKNUYVPH-CQSZACIVSA-N 2 1 348.495 1.171 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000997004692 703261576 /nfs/dbraw/zinc/26/15/76/703261576.db2.gz FZJYZIKPQBIQLD-CQSZACIVSA-N 2 1 333.480 1.151 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)sn1 ZINC000997006304 703263359 /nfs/dbraw/zinc/26/33/59/703263359.db2.gz KSKJNYVKWKPECJ-CYBMUJFWSA-N 2 1 336.505 1.874 20 0 EDADMP COc1ccnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000997006442 703263860 /nfs/dbraw/zinc/26/38/60/703263860.db2.gz GJNMJVIMDWRTSE-KSSFIOAISA-N 2 1 346.475 1.369 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC000997007838 703265240 /nfs/dbraw/zinc/26/52/40/703265240.db2.gz JSDJSNXWKHCODF-HNAYVOBHSA-N 2 1 345.487 1.974 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)o1 ZINC000997114869 703368158 /nfs/dbraw/zinc/36/81/58/703368158.db2.gz JESXGUMGFVMWOU-UHFFFAOYSA-N 2 1 335.452 1.191 20 0 EDADMP CC[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCCC1)OC ZINC001032404446 703424350 /nfs/dbraw/zinc/42/43/50/703424350.db2.gz INGRJBBIHVTJKT-ULQDDVLXSA-N 2 1 337.508 1.961 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1ncccn1 ZINC000997182828 703467891 /nfs/dbraw/zinc/46/78/91/703467891.db2.gz IGDMYKZHMQHYLH-GJZGRUSLSA-N 2 1 331.464 1.460 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3nnc(C4CC4)o3)CC2)C1 ZINC000997183495 703468875 /nfs/dbraw/zinc/46/88/75/703468875.db2.gz KJBPNWVNPPETTG-CYBMUJFWSA-N 2 1 347.463 1.369 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3nnc(C4CC4)o3)CC2)C1 ZINC000997183495 703468876 /nfs/dbraw/zinc/46/88/76/703468876.db2.gz KJBPNWVNPPETTG-CYBMUJFWSA-N 2 1 347.463 1.369 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997180251 703470456 /nfs/dbraw/zinc/47/04/56/703470456.db2.gz OBJANGXANIRTKN-OCCSQVGLSA-N 2 1 335.452 1.361 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997180251 703470458 /nfs/dbraw/zinc/47/04/58/703470458.db2.gz OBJANGXANIRTKN-OCCSQVGLSA-N 2 1 335.452 1.361 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000997260823 703539859 /nfs/dbraw/zinc/53/98/59/703539859.db2.gz LSUJPFMTKACLCU-RVKKMQEKSA-N 2 1 345.491 1.849 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(F)cc3F)CC2)C1 ZINC000997298925 703556643 /nfs/dbraw/zinc/55/66/43/703556643.db2.gz LBZSTBAKKVSYRE-CQSZACIVSA-N 2 1 337.414 1.997 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC3=CCCCC3)CC2)C1 ZINC000997335328 703562955 /nfs/dbraw/zinc/56/29/55/703562955.db2.gz KMLHVVJUFSNBEF-SFHVURJKSA-N 2 1 335.492 1.788 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC3=CCCCC3)CC2)C1 ZINC000997335328 703562956 /nfs/dbraw/zinc/56/29/56/703562956.db2.gz KMLHVVJUFSNBEF-SFHVURJKSA-N 2 1 335.492 1.788 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccsc3)CC2)C1 ZINC000997338164 703572724 /nfs/dbraw/zinc/57/27/24/703572724.db2.gz ALCLZRUBQSGIDD-MRXNPFEDSA-N 2 1 337.489 1.549 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccsc3)CC2)C1 ZINC000997338164 703572725 /nfs/dbraw/zinc/57/27/25/703572725.db2.gz ALCLZRUBQSGIDD-MRXNPFEDSA-N 2 1 337.489 1.549 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2conc2C)CC1 ZINC000997366711 703600825 /nfs/dbraw/zinc/60/08/25/703600825.db2.gz JZRJRTVOWPVMEF-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000921584569 703627674 /nfs/dbraw/zinc/62/76/74/703627674.db2.gz VOXICPBZMFRJHU-YOEHRIQHSA-N 2 1 331.464 1.610 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccns1 ZINC001032456214 703633914 /nfs/dbraw/zinc/63/39/14/703633914.db2.gz LYLAKTLNYHAVKN-PMPSAXMXSA-N 2 1 348.516 1.845 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccns1 ZINC001032456214 703633916 /nfs/dbraw/zinc/63/39/16/703633916.db2.gz LYLAKTLNYHAVKN-PMPSAXMXSA-N 2 1 348.516 1.845 20 0 EDADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1 ZINC001032456214 703633917 /nfs/dbraw/zinc/63/39/17/703633917.db2.gz LYLAKTLNYHAVKN-PMPSAXMXSA-N 2 1 348.516 1.845 20 0 EDADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1 ZINC001032456214 703633919 /nfs/dbraw/zinc/63/39/19/703633919.db2.gz LYLAKTLNYHAVKN-PMPSAXMXSA-N 2 1 348.516 1.845 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](CC(C)C)CC2)C1 ZINC000997437595 703665860 /nfs/dbraw/zinc/66/58/60/703665860.db2.gz ZOTHADBHDDPGMK-NVXWUHKLSA-N 2 1 325.497 1.580 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](CC(C)C)CC2)C1 ZINC000997437595 703665861 /nfs/dbraw/zinc/66/58/61/703665861.db2.gz ZOTHADBHDDPGMK-NVXWUHKLSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](OC)c1ccccc1)[NH+](C)C ZINC001032474793 703695651 /nfs/dbraw/zinc/69/56/51/703695651.db2.gz MQBUCSJUSRZBPA-INDMIFKZSA-N 2 1 345.487 1.999 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](OC)c1ccccc1)[NH+](C)C ZINC001032474793 703695652 /nfs/dbraw/zinc/69/56/52/703695652.db2.gz MQBUCSJUSRZBPA-INDMIFKZSA-N 2 1 345.487 1.999 20 0 EDADMP CC[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1C)OC ZINC001032489384 703764628 /nfs/dbraw/zinc/76/46/28/703764628.db2.gz NEPUBPFCFOZQLU-YESZJQIVSA-N 2 1 342.443 1.966 20 0 EDADMP COc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000997605046 703901106 /nfs/dbraw/zinc/90/11/06/703901106.db2.gz CNVVPCVCUGEQRD-KRWDZBQOSA-N 2 1 346.475 1.513 20 0 EDADMP CCc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997608326 703905332 /nfs/dbraw/zinc/90/53/32/703905332.db2.gz UYZOVXGFUTURMJ-GOSISDBHSA-N 2 1 348.491 1.968 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000997613586 703913077 /nfs/dbraw/zinc/91/30/77/703913077.db2.gz OQDBBPLTDWCWSM-DOMZBBRYSA-N 2 1 334.468 1.097 20 0 EDADMP Cc1nnsc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997616126 703915250 /nfs/dbraw/zinc/91/52/50/703915250.db2.gz YSNWAAOYSUZWBC-AWEZNQCLSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000997645806 703957609 /nfs/dbraw/zinc/95/76/09/703957609.db2.gz STYZZZHNFCRNMZ-LJQANCHMSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000997645806 703957614 /nfs/dbraw/zinc/95/76/14/703957614.db2.gz STYZZZHNFCRNMZ-LJQANCHMSA-N 2 1 345.487 1.654 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2conc2C)CC1 ZINC001004207770 703966934 /nfs/dbraw/zinc/96/69/34/703966934.db2.gz JDLNCZSPUNFPFO-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2conc2C)CC1 ZINC001004207770 703966937 /nfs/dbraw/zinc/96/69/37/703966937.db2.gz JDLNCZSPUNFPFO-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(Cc2cnc(C)nc2)CC1 ZINC001004208164 703968159 /nfs/dbraw/zinc/96/81/59/703968159.db2.gz NRDRIIFTUCXKIE-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC001004208164 703968164 /nfs/dbraw/zinc/96/81/64/703968164.db2.gz NRDRIIFTUCXKIE-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n1 ZINC000999295042 706792388 /nfs/dbraw/zinc/79/23/88/706792388.db2.gz XQDWOEBGIGSVDY-QEFXCSQDSA-N 2 1 347.507 1.712 20 0 EDADMP CC(C)=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084027 704153091 /nfs/dbraw/zinc/15/30/91/704153091.db2.gz DQSQBXYLXWSJLG-INIZCTEOSA-N 2 1 333.480 1.557 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3cc4n(n3)CCC4)C2)CC[N@H+]1C ZINC001033091217 704166014 /nfs/dbraw/zinc/16/60/14/704166014.db2.gz ILAZEAIXDIHNJB-FHLIZLRMSA-N 2 1 345.491 1.202 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3nccnc3C)C2)CC[N@@H+]1C ZINC001033098723 704208030 /nfs/dbraw/zinc/20/80/30/704208030.db2.gz KAOZYUBWSSNHAT-SOLBZPMBSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3nccnc3C)C2)CC[N@H+]1C ZINC001033098723 704208033 /nfs/dbraw/zinc/20/80/33/704208033.db2.gz KAOZYUBWSSNHAT-SOLBZPMBSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3nccnc3C)C2)CC[NH+]1C ZINC001033098723 704208035 /nfs/dbraw/zinc/20/80/35/704208035.db2.gz KAOZYUBWSSNHAT-SOLBZPMBSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nccnc3C)C2)CC[NH+]1C ZINC001033098723 704208037 /nfs/dbraw/zinc/20/80/37/704208037.db2.gz KAOZYUBWSSNHAT-SOLBZPMBSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCOC3CCC3)C2)CC[N@H+]1C ZINC001033100463 704217943 /nfs/dbraw/zinc/21/79/43/704217943.db2.gz ZRDSPFGOJYKUQV-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCOC3CCC3)C2)CC[NH+]1C ZINC001033100463 704217945 /nfs/dbraw/zinc/21/79/45/704217945.db2.gz ZRDSPFGOJYKUQV-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCOC3CCC3)C2)CC[NH+]1C ZINC001033100463 704217947 /nfs/dbraw/zinc/21/79/47/704217947.db2.gz ZRDSPFGOJYKUQV-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004436657 704411087 /nfs/dbraw/zinc/41/10/87/704411087.db2.gz HBIYEDVTRHYDEF-OALUTQOASA-N 2 1 349.519 1.414 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CCc3ccccc3)C(C)(C)C2)C1 ZINC000995607608 704571057 /nfs/dbraw/zinc/57/10/57/704571057.db2.gz RYPYMJSUNOZQPA-MSOLQXFVSA-N 2 1 345.487 1.386 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CCc3ccccc3)C(C)(C)C2)C1 ZINC000995607608 704571059 /nfs/dbraw/zinc/57/10/59/704571059.db2.gz RYPYMJSUNOZQPA-MSOLQXFVSA-N 2 1 345.487 1.386 20 0 EDADMP CC(C)[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997724253 704620401 /nfs/dbraw/zinc/62/04/01/704620401.db2.gz KKWFCSNPCBDTFI-DOTOQJQBSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997724253 704620403 /nfs/dbraw/zinc/62/04/03/704620403.db2.gz KKWFCSNPCBDTFI-DOTOQJQBSA-N 2 1 325.497 1.721 20 0 EDADMP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997791928 704700358 /nfs/dbraw/zinc/70/03/58/704700358.db2.gz BMRNMQCZLRDYST-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000997865747 704772916 /nfs/dbraw/zinc/77/29/16/704772916.db2.gz HJTOKPFKFGUREI-YJBOKZPZSA-N 2 1 347.507 1.131 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccns2)CC1 ZINC000997869185 704774946 /nfs/dbraw/zinc/77/49/46/704774946.db2.gz ZCVVWFWXHMAPGD-ZFWWWQNUSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944942944 704795363 /nfs/dbraw/zinc/79/53/63/704795363.db2.gz DJICRDYYAKVKFC-BLLLJJGKSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944942944 704795364 /nfs/dbraw/zinc/79/53/64/704795364.db2.gz DJICRDYYAKVKFC-BLLLJJGKSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(Cc2cscn2)C[C@@H]1C ZINC000944946658 704799703 /nfs/dbraw/zinc/79/97/03/704799703.db2.gz YCLKRHJXRIPISD-SWLSCSKDSA-N 2 1 333.461 1.675 20 0 EDADMP CCc1nnc(CN2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944963470 704828953 /nfs/dbraw/zinc/82/89/53/704828953.db2.gz ALKWCBIBXOGDRB-TZMCWYRMSA-N 2 1 346.435 1.164 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944965115 704835084 /nfs/dbraw/zinc/83/50/84/704835084.db2.gz QLDQYSMHXQXFCG-WBMJQRKESA-N 2 1 331.420 1.515 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944965115 704835093 /nfs/dbraw/zinc/83/50/93/704835093.db2.gz QLDQYSMHXQXFCG-WBMJQRKESA-N 2 1 331.420 1.515 20 0 EDADMP Cc1nc(CN2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)co1 ZINC000944965421 704835669 /nfs/dbraw/zinc/83/56/69/704835669.db2.gz SMGPUECBSONQLK-LRDDRELGSA-N 2 1 331.420 1.515 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)CC[N@H+]1C ZINC000998004312 705165969 /nfs/dbraw/zinc/16/59/69/705165969.db2.gz IDEQXASBHKRJKI-ZFWWWQNUSA-N 2 1 335.452 1.128 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]Cc3nccn3C)CC2)CC[N@H+]1C ZINC000998004663 705166577 /nfs/dbraw/zinc/16/65/77/705166577.db2.gz MHPPKMZNAUZGAF-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000998076659 705296156 /nfs/dbraw/zinc/29/61/56/705296156.db2.gz BZAUASLZLWWXQZ-QAPCUYQASA-N 2 1 337.508 1.439 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nc1 ZINC000998076567 705296497 /nfs/dbraw/zinc/29/64/97/705296497.db2.gz ADIPGGMAXKQKHO-DOTOQJQBSA-N 2 1 345.491 1.311 20 0 EDADMP CCc1nocc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000998080515 705305922 /nfs/dbraw/zinc/30/59/22/705305922.db2.gz BXNQQCDYWCEZDZ-PBHICJAKSA-N 2 1 348.491 1.763 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC000998189206 705494537 /nfs/dbraw/zinc/49/45/37/705494537.db2.gz MEQKMPXWUGHPJK-SJORKVTESA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](Cc2ccnn2C)CC1 ZINC000998189206 705494540 /nfs/dbraw/zinc/49/45/40/705494540.db2.gz MEQKMPXWUGHPJK-SJORKVTESA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](Cc2ccnn2C)CC1 ZINC000998189206 705494543 /nfs/dbraw/zinc/49/45/43/705494543.db2.gz MEQKMPXWUGHPJK-SJORKVTESA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](Cc2cncn2C)CC1 ZINC000998191830 705500046 /nfs/dbraw/zinc/50/00/46/705500046.db2.gz VCYUMLCKPHIPAQ-DLBZAZTESA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](Cc2cncn2C)CC1 ZINC000998191830 705500050 /nfs/dbraw/zinc/50/00/50/705500050.db2.gz VCYUMLCKPHIPAQ-DLBZAZTESA-N 2 1 347.507 1.575 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3cc(C4CC4)no3)CC2)C1 ZINC000998265376 705632422 /nfs/dbraw/zinc/63/24/22/705632422.db2.gz LTEXNRFRPUPTEL-INIZCTEOSA-N 2 1 346.475 1.832 20 0 EDADMP CC(C)n1ncnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998274118 705654785 /nfs/dbraw/zinc/65/47/85/705654785.db2.gz REWUTXDUSJXJBW-MRXNPFEDSA-N 2 1 348.495 1.139 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000998723824 706155215 /nfs/dbraw/zinc/15/52/15/706155215.db2.gz RUZWXCUMARXRBW-WMZOPIPTSA-N 2 1 331.460 1.870 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccn1 ZINC000998795593 706242697 /nfs/dbraw/zinc/24/26/97/706242697.db2.gz JJTPJXJGUBCTLL-LHUBUQBQSA-N 2 1 346.475 1.509 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1F ZINC000998825772 706272621 /nfs/dbraw/zinc/27/26/21/706272621.db2.gz NFUKOTOVDOIFKR-AEFFLSMTSA-N 2 1 349.450 1.545 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1F ZINC000998825772 706272622 /nfs/dbraw/zinc/27/26/22/706272622.db2.gz NFUKOTOVDOIFKR-AEFFLSMTSA-N 2 1 349.450 1.545 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(CC)n2)C1 ZINC000998868753 706289686 /nfs/dbraw/zinc/28/96/86/706289686.db2.gz YSPFQAXTWDXUBU-BDVYOWHSSA-N 2 1 348.495 1.251 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(CC)n2)C1 ZINC000998868753 706289688 /nfs/dbraw/zinc/28/96/88/706289688.db2.gz YSPFQAXTWDXUBU-BDVYOWHSSA-N 2 1 348.495 1.251 20 0 EDADMP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)cn1 ZINC000998938411 706378069 /nfs/dbraw/zinc/37/80/69/706378069.db2.gz DORLETPJEMOFIB-QDIHITRGSA-N 2 1 340.431 1.391 20 0 EDADMP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000998995735 706413432 /nfs/dbraw/zinc/41/34/32/706413432.db2.gz UFUFAQRBPCCDQY-VMBOVVBDSA-N 2 1 334.464 1.800 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCCCO3)C[C@H]2CC1 ZINC000946517174 706519293 /nfs/dbraw/zinc/51/92/93/706519293.db2.gz ALQDBKKITDVBTE-RDGPPVDQSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2CC1 ZINC000946517174 706519296 /nfs/dbraw/zinc/51/92/96/706519296.db2.gz ALQDBKKITDVBTE-RDGPPVDQSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2CC1 ZINC000946517174 706519301 /nfs/dbraw/zinc/51/93/01/706519301.db2.gz ALQDBKKITDVBTE-RDGPPVDQSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000999318359 706826520 /nfs/dbraw/zinc/82/65/20/706826520.db2.gz RSNIIJVXANCNPF-QGZVFWFLSA-N 2 1 327.432 1.827 20 0 EDADMP C[C@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-n2ccnc2)ccn1 ZINC001032712878 706837030 /nfs/dbraw/zinc/83/70/30/706837030.db2.gz NFEUEZVKNVWFNA-BPUTZDHNSA-N 2 1 343.406 1.914 20 0 EDADMP C[C@H](F)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-n2ccnc2)ccn1 ZINC001032712878 706837033 /nfs/dbraw/zinc/83/70/33/706837033.db2.gz NFEUEZVKNVWFNA-BPUTZDHNSA-N 2 1 343.406 1.914 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000999343603 706855178 /nfs/dbraw/zinc/85/51/78/706855178.db2.gz QIVZIAOGKPSKQS-IUDNXUCKSA-N 2 1 334.464 1.965 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)[nH]1 ZINC000999349243 706861427 /nfs/dbraw/zinc/86/14/27/706861427.db2.gz RYWZQTOVQCYZRQ-CVEARBPZSA-N 2 1 348.495 1.172 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)[nH]1 ZINC000999349243 706861430 /nfs/dbraw/zinc/86/14/30/706861430.db2.gz RYWZQTOVQCYZRQ-CVEARBPZSA-N 2 1 348.495 1.172 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999351608 706864385 /nfs/dbraw/zinc/86/43/85/706864385.db2.gz FBDRXUKBGLAOQN-ZWKOTPCHSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)ncn1 ZINC000999374753 706869236 /nfs/dbraw/zinc/86/92/36/706869236.db2.gz JAKOSYQTMIERBS-HNNXBMFYSA-N 2 1 331.464 1.350 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999366718 706880562 /nfs/dbraw/zinc/88/05/62/706880562.db2.gz ZIEGQGWOSPWDFF-OAHLLOKOSA-N 2 1 348.495 1.424 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999366718 706880564 /nfs/dbraw/zinc/88/05/64/706880564.db2.gz ZIEGQGWOSPWDFF-OAHLLOKOSA-N 2 1 348.495 1.424 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cn(C(C)C)nn2)C1)[NH+](C)C ZINC000999489246 707025556 /nfs/dbraw/zinc/02/55/56/707025556.db2.gz JIFXDYLZFAHTBN-GDBMZVCRSA-N 2 1 336.484 1.280 20 0 EDADMP O=C(N1CCC[C@@H]([NH2+]Cc2nncs2)C1)C12CCC[NH+](CCC1)C2 ZINC000999490882 707027218 /nfs/dbraw/zinc/02/72/18/707027218.db2.gz TZTDWYXDBTVNEK-CQSZACIVSA-N 2 1 349.504 1.495 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)co1 ZINC000999492295 707029072 /nfs/dbraw/zinc/02/90/72/707029072.db2.gz ZWNGUCYECAMQNZ-MRXNPFEDSA-N 2 1 346.475 1.940 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1)[NH+](C)C ZINC000946784890 707316077 /nfs/dbraw/zinc/31/60/77/707316077.db2.gz ZDUGAVJCNXOOGG-BDXSIMOUSA-N 2 1 337.508 1.534 20 0 EDADMP CCc1[nH]nc(Cl)c1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000921686857 707316627 /nfs/dbraw/zinc/31/66/27/707316627.db2.gz QCULXDFJIAYLIS-UHFFFAOYSA-N 2 1 327.904 1.989 20 0 EDADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC000999788450 707405520 /nfs/dbraw/zinc/40/55/20/707405520.db2.gz CICIYBRQFPOVBP-HOCLYGCPSA-N 2 1 333.436 1.025 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)[nH]1 ZINC000999788972 707406222 /nfs/dbraw/zinc/40/62/22/707406222.db2.gz DXWMFCCPTDBPDL-NVXWUHKLSA-N 2 1 346.479 1.068 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)n1 ZINC001033194038 707430060 /nfs/dbraw/zinc/43/00/60/707430060.db2.gz AQSHSULFEOIQCP-HZPDHXFCSA-N 2 1 349.479 1.328 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000999875905 707522226 /nfs/dbraw/zinc/52/22/26/707522226.db2.gz DCSZTGFLKLICJR-VMWRSERWSA-N 2 1 347.507 1.682 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)ncn2)C1 ZINC000999876577 707524126 /nfs/dbraw/zinc/52/41/26/707524126.db2.gz OJRWBUYNMSLZCJ-VMWRSERWSA-N 2 1 345.491 1.738 20 0 EDADMP C[C@@H]([NH2+]Cc1ccon1)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004925150 707665481 /nfs/dbraw/zinc/66/54/81/707665481.db2.gz HZZMAUMFZXMTGW-RHSMWYFYSA-N 2 1 334.464 1.876 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001033398464 707739547 /nfs/dbraw/zinc/73/95/47/707739547.db2.gz WTQHEZXMKFMDTI-SJLPKXTDSA-N 2 1 337.508 1.678 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420462 707831032 /nfs/dbraw/zinc/83/10/32/707831032.db2.gz PKZLHDMICJEYKE-GDBMZVCRSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420462 707831038 /nfs/dbraw/zinc/83/10/38/707831038.db2.gz PKZLHDMICJEYKE-GDBMZVCRSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033420462 707831041 /nfs/dbraw/zinc/83/10/41/707831041.db2.gz PKZLHDMICJEYKE-GDBMZVCRSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420462 707831045 /nfs/dbraw/zinc/83/10/45/707831045.db2.gz PKZLHDMICJEYKE-GDBMZVCRSA-N 2 1 334.464 1.612 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033227297 707843023 /nfs/dbraw/zinc/84/30/23/707843023.db2.gz CNAAFAQPOAUQIN-MRXNPFEDSA-N 2 1 346.475 1.953 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033227297 707843025 /nfs/dbraw/zinc/84/30/25/707843025.db2.gz CNAAFAQPOAUQIN-MRXNPFEDSA-N 2 1 346.475 1.953 20 0 EDADMP Cc1nc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)co1 ZINC001004991676 707856414 /nfs/dbraw/zinc/85/64/14/707856414.db2.gz LPUMVCNKXUKUCA-WMLDXEAASA-N 2 1 334.464 1.938 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033225967 707863019 /nfs/dbraw/zinc/86/30/19/707863019.db2.gz MTWFHBJFZRDDOY-QGZVFWFLSA-N 2 1 345.491 1.124 20 0 EDADMP Cc1nc(C)c(C)c(N2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001061605076 707863041 /nfs/dbraw/zinc/86/30/41/707863041.db2.gz WAEGCEHXTHVSFX-HZPDHXFCSA-N 2 1 331.464 1.296 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001033475711 707965888 /nfs/dbraw/zinc/96/58/88/707965888.db2.gz QOQUWAUUKNBINJ-MRXNPFEDSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001033475711 707965890 /nfs/dbraw/zinc/96/58/90/707965890.db2.gz QOQUWAUUKNBINJ-MRXNPFEDSA-N 2 1 334.464 1.748 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc3n2CCOC3)[C@@H](C)C1 ZINC000921746441 707967802 /nfs/dbraw/zinc/96/78/02/707967802.db2.gz DBAFLVYPNXFQAX-RDJZCZTQSA-N 2 1 336.480 1.640 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc3n2CCOC3)[C@@H](C)C1 ZINC000921746441 707967803 /nfs/dbraw/zinc/96/78/03/707967803.db2.gz DBAFLVYPNXFQAX-RDJZCZTQSA-N 2 1 336.480 1.640 20 0 EDADMP Cn1cc(C[NH+]2CCC(C3(NC(=O)[C@H]4CC[N@@H+](C)C4)CC3)CC2)cn1 ZINC001000331071 707990659 /nfs/dbraw/zinc/99/06/59/707990659.db2.gz AKURUVZWZCDZFP-INIZCTEOSA-N 2 1 345.491 1.233 20 0 EDADMP CO[C@@H](C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)C1CCC1 ZINC001000700931 708060111 /nfs/dbraw/zinc/06/01/11/708060111.db2.gz AHGQEXLLCRDFNT-LZQZEXGQSA-N 2 1 349.519 1.890 20 0 EDADMP CO[C@@H](C[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C1CCC1 ZINC001000700931 708060113 /nfs/dbraw/zinc/06/01/13/708060113.db2.gz AHGQEXLLCRDFNT-LZQZEXGQSA-N 2 1 349.519 1.890 20 0 EDADMP CO[C@@H](C[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C1CCC1 ZINC001000700931 708060115 /nfs/dbraw/zinc/06/01/15/708060115.db2.gz AHGQEXLLCRDFNT-LZQZEXGQSA-N 2 1 349.519 1.890 20 0 EDADMP C[C@H](O)C[N@@H+]1CC=C(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001000999611 708081282 /nfs/dbraw/zinc/08/12/82/708081282.db2.gz SREHCXZJIBWCDD-INIZCTEOSA-N 2 1 345.487 1.533 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032800709 708083383 /nfs/dbraw/zinc/08/33/83/708083383.db2.gz VUMHKTPBNXQCFG-NJAFHUGGSA-N 2 1 343.471 1.683 20 0 EDADMP CCOC1CC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCCCC2)C1 ZINC001032802001 708085054 /nfs/dbraw/zinc/08/50/54/708085054.db2.gz OUYSWBXWWOLNAL-YBXZHIRMSA-N 2 1 349.519 1.963 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014724881 708105369 /nfs/dbraw/zinc/10/53/69/708105369.db2.gz XTQGSUSQSYZISR-DLBZAZTESA-N 2 1 345.491 1.738 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014724881 708105375 /nfs/dbraw/zinc/10/53/75/708105375.db2.gz XTQGSUSQSYZISR-DLBZAZTESA-N 2 1 345.491 1.738 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014724881 708105378 /nfs/dbraw/zinc/10/53/78/708105378.db2.gz XTQGSUSQSYZISR-DLBZAZTESA-N 2 1 345.491 1.738 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014724881 708105382 /nfs/dbraw/zinc/10/53/82/708105382.db2.gz XTQGSUSQSYZISR-DLBZAZTESA-N 2 1 345.491 1.738 20 0 EDADMP CCc1cc(NC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc(C)[nH+]1 ZINC001060991121 708105553 /nfs/dbraw/zinc/10/55/53/708105553.db2.gz CJPIQSBHZSRJAR-HOCLYGCPSA-N 2 1 345.491 1.950 20 0 EDADMP CCc1cc(NC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nc(C)[nH+]1 ZINC001060991121 708105555 /nfs/dbraw/zinc/10/55/55/708105555.db2.gz CJPIQSBHZSRJAR-HOCLYGCPSA-N 2 1 345.491 1.950 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3cnn(C)c3)C2)CC1 ZINC001033551964 708189125 /nfs/dbraw/zinc/18/91/25/708189125.db2.gz SKVUDBITVOMGOT-SFHVURJKSA-N 2 1 347.507 1.573 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)CC1 ZINC001033551964 708189127 /nfs/dbraw/zinc/18/91/27/708189127.db2.gz SKVUDBITVOMGOT-SFHVURJKSA-N 2 1 347.507 1.573 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCO)C1 ZINC001033576105 708251047 /nfs/dbraw/zinc/25/10/47/708251047.db2.gz TZBLKILFUPZBFM-IRXDYDNUSA-N 2 1 325.497 1.556 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCO)C1 ZINC001033576105 708251049 /nfs/dbraw/zinc/25/10/49/708251049.db2.gz TZBLKILFUPZBFM-IRXDYDNUSA-N 2 1 325.497 1.556 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033576105 708251052 /nfs/dbraw/zinc/25/10/52/708251052.db2.gz TZBLKILFUPZBFM-IRXDYDNUSA-N 2 1 325.497 1.556 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582027 708264476 /nfs/dbraw/zinc/26/44/76/708264476.db2.gz NIHDZMGWZQYWJQ-FUHWJXTLSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ccncc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033582027 708264479 /nfs/dbraw/zinc/26/44/79/708264479.db2.gz NIHDZMGWZQYWJQ-FUHWJXTLSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ccncc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033582027 708264482 /nfs/dbraw/zinc/26/44/82/708264482.db2.gz NIHDZMGWZQYWJQ-FUHWJXTLSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033591460 708289161 /nfs/dbraw/zinc/28/91/61/708289161.db2.gz CHDQZXDKGPBZIF-KRWDZBQOSA-N 2 1 328.460 1.519 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001033594537 708296677 /nfs/dbraw/zinc/29/66/77/708296677.db2.gz NGWSDVDIHUFORJ-DOTOQJQBSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001033594537 708296679 /nfs/dbraw/zinc/29/66/79/708296679.db2.gz NGWSDVDIHUFORJ-DOTOQJQBSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033594537 708296682 /nfs/dbraw/zinc/29/66/82/708296682.db2.gz NGWSDVDIHUFORJ-DOTOQJQBSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033594537 708296685 /nfs/dbraw/zinc/29/66/85/708296685.db2.gz NGWSDVDIHUFORJ-DOTOQJQBSA-N 2 1 331.464 1.160 20 0 EDADMP Cn1ccc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC001001795445 708309996 /nfs/dbraw/zinc/30/99/96/708309996.db2.gz RTXOCIFZMNICKM-UHFFFAOYSA-N 2 1 333.480 1.090 20 0 EDADMP CCc1noc(CN2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001001824482 708326862 /nfs/dbraw/zinc/32/68/62/708326862.db2.gz IHLXDFSFWIZJKG-DZGCQCFKSA-N 2 1 349.479 1.158 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC001033663695 708444696 /nfs/dbraw/zinc/44/46/96/708444696.db2.gz YAERQLVZZVCOCB-WBVHZDCISA-N 2 1 349.450 1.689 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC001033663695 708444697 /nfs/dbraw/zinc/44/46/97/708444697.db2.gz YAERQLVZZVCOCB-WBVHZDCISA-N 2 1 349.450 1.689 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC001033663695 708444700 /nfs/dbraw/zinc/44/47/00/708444700.db2.gz YAERQLVZZVCOCB-WBVHZDCISA-N 2 1 349.450 1.689 20 0 EDADMP CN(C)c1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033664275 708446022 /nfs/dbraw/zinc/44/60/22/708446022.db2.gz FCFMYAPFVKBXPJ-HKUYNNGSSA-N 2 1 344.503 1.737 20 0 EDADMP CN(C)c1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001033664275 708446024 /nfs/dbraw/zinc/44/60/24/708446024.db2.gz FCFMYAPFVKBXPJ-HKUYNNGSSA-N 2 1 344.503 1.737 20 0 EDADMP CN(C)c1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033664275 708446025 /nfs/dbraw/zinc/44/60/25/708446025.db2.gz FCFMYAPFVKBXPJ-HKUYNNGSSA-N 2 1 344.503 1.737 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC001033659090 708470150 /nfs/dbraw/zinc/47/01/50/708470150.db2.gz BLJLAEZFVIDPSE-DOTOQJQBSA-N 2 1 349.450 1.302 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC001033659090 708470152 /nfs/dbraw/zinc/47/01/52/708470152.db2.gz BLJLAEZFVIDPSE-DOTOQJQBSA-N 2 1 349.450 1.302 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(CO)ccc2F)C1 ZINC001033659090 708470154 /nfs/dbraw/zinc/47/01/54/708470154.db2.gz BLJLAEZFVIDPSE-DOTOQJQBSA-N 2 1 349.450 1.302 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(CO)ccc2F)C1 ZINC001033659090 708470156 /nfs/dbraw/zinc/47/01/56/708470156.db2.gz BLJLAEZFVIDPSE-DOTOQJQBSA-N 2 1 349.450 1.302 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001033659212 708471115 /nfs/dbraw/zinc/47/11/15/708471115.db2.gz BVILIIVSZHUPEI-GJZGRUSLSA-N 2 1 332.448 1.536 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001033659212 708471117 /nfs/dbraw/zinc/47/11/17/708471117.db2.gz BVILIIVSZHUPEI-GJZGRUSLSA-N 2 1 332.448 1.536 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001033659212 708471119 /nfs/dbraw/zinc/47/11/19/708471119.db2.gz BVILIIVSZHUPEI-GJZGRUSLSA-N 2 1 332.448 1.536 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001033659212 708471121 /nfs/dbraw/zinc/47/11/21/708471121.db2.gz BVILIIVSZHUPEI-GJZGRUSLSA-N 2 1 332.448 1.536 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001033660584 708473274 /nfs/dbraw/zinc/47/32/74/708473274.db2.gz IPVVWUSJRUNUPG-CABCVRRESA-N 2 1 342.443 1.812 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001033660584 708473275 /nfs/dbraw/zinc/47/32/75/708473275.db2.gz IPVVWUSJRUNUPG-CABCVRRESA-N 2 1 342.443 1.812 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2nc3ccccc3o2)C1 ZINC001033660584 708473277 /nfs/dbraw/zinc/47/32/77/708473277.db2.gz IPVVWUSJRUNUPG-CABCVRRESA-N 2 1 342.443 1.812 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2nc3ccccc3o2)C1 ZINC001033660584 708473279 /nfs/dbraw/zinc/47/32/79/708473279.db2.gz IPVVWUSJRUNUPG-CABCVRRESA-N 2 1 342.443 1.812 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033686725 708501237 /nfs/dbraw/zinc/50/12/37/708501237.db2.gz SLKNFAOLNOZLEM-QZTJIDSGSA-N 2 1 347.507 1.370 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033686725 708501241 /nfs/dbraw/zinc/50/12/41/708501241.db2.gz SLKNFAOLNOZLEM-QZTJIDSGSA-N 2 1 347.507 1.370 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033686725 708501244 /nfs/dbraw/zinc/50/12/44/708501244.db2.gz SLKNFAOLNOZLEM-QZTJIDSGSA-N 2 1 347.507 1.370 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)no1 ZINC001002042807 708533264 /nfs/dbraw/zinc/53/32/64/708533264.db2.gz JNRBPHWELIUZTK-UHFFFAOYSA-N 2 1 332.448 1.407 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001002120167 708633453 /nfs/dbraw/zinc/63/34/53/708633453.db2.gz HEQMUJQCKPMRPE-ROUUACIJSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001002154556 708669285 /nfs/dbraw/zinc/66/92/85/708669285.db2.gz ARMSYESNSOCAFI-MSOLQXFVSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](C[C@H](C)OC)CC1 ZINC001002157648 708671949 /nfs/dbraw/zinc/67/19/49/708671949.db2.gz KXWWRZOSOXNOAN-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCc2cnn(CC)c2)C1 ZINC001033773969 708672724 /nfs/dbraw/zinc/67/27/24/708672724.db2.gz IJDIBFJRVWYRKH-ZWKOTPCHSA-N 2 1 347.507 1.463 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001033773969 708672725 /nfs/dbraw/zinc/67/27/25/708672725.db2.gz IJDIBFJRVWYRKH-ZWKOTPCHSA-N 2 1 347.507 1.463 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001033773969 708672727 /nfs/dbraw/zinc/67/27/27/708672727.db2.gz IJDIBFJRVWYRKH-ZWKOTPCHSA-N 2 1 347.507 1.463 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033830617 708852987 /nfs/dbraw/zinc/85/29/87/708852987.db2.gz LNAFBUPAMNVVJJ-ROUUACIJSA-N 2 1 345.491 1.148 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001033874949 708941135 /nfs/dbraw/zinc/94/11/35/708941135.db2.gz MDRPSJVPJACLAN-NZSAHSFTSA-N 2 1 345.487 1.829 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001033874949 708941139 /nfs/dbraw/zinc/94/11/39/708941139.db2.gz MDRPSJVPJACLAN-NZSAHSFTSA-N 2 1 345.487 1.829 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001033874949 708941142 /nfs/dbraw/zinc/94/11/42/708941142.db2.gz MDRPSJVPJACLAN-NZSAHSFTSA-N 2 1 345.487 1.829 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001033874949 708941144 /nfs/dbraw/zinc/94/11/44/708941144.db2.gz MDRPSJVPJACLAN-NZSAHSFTSA-N 2 1 345.487 1.829 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001002445638 708966925 /nfs/dbraw/zinc/96/69/25/708966925.db2.gz UYXMOZCHBAPCJT-IBGZPJMESA-N 2 1 344.503 1.927 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC001002472367 709005558 /nfs/dbraw/zinc/00/55/58/709005558.db2.gz ABXWVBZNKSMPJB-MSOLQXFVSA-N 2 1 337.508 1.602 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033937561 709116945 /nfs/dbraw/zinc/11/69/45/709116945.db2.gz NEWCOMOVCFYEJD-XYJFISCASA-N 2 1 347.507 1.573 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033937561 709116946 /nfs/dbraw/zinc/11/69/46/709116946.db2.gz NEWCOMOVCFYEJD-XYJFISCASA-N 2 1 347.507 1.573 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033937561 709116950 /nfs/dbraw/zinc/11/69/50/709116950.db2.gz NEWCOMOVCFYEJD-XYJFISCASA-N 2 1 347.507 1.573 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033937561 709116952 /nfs/dbraw/zinc/11/69/52/709116952.db2.gz NEWCOMOVCFYEJD-XYJFISCASA-N 2 1 347.507 1.573 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033939402 709144330 /nfs/dbraw/zinc/14/43/30/709144330.db2.gz AAPJAUGZWLTWFX-SFHVURJKSA-N 2 1 337.508 1.678 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001033941604 709148389 /nfs/dbraw/zinc/14/83/89/709148389.db2.gz QSQZMCRMCONYTN-SJLPKXTDSA-N 2 1 337.508 1.678 20 0 EDADMP CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001034004143 709243252 /nfs/dbraw/zinc/24/32/52/709243252.db2.gz NFHGWQBYRATOSH-RHSMWYFYSA-N 2 1 343.431 1.185 20 0 EDADMP CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034004143 709243254 /nfs/dbraw/zinc/24/32/54/709243254.db2.gz NFHGWQBYRATOSH-RHSMWYFYSA-N 2 1 343.431 1.185 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005499037 709275214 /nfs/dbraw/zinc/27/52/14/709275214.db2.gz XHAHGZCOGANXPK-DLBZAZTESA-N 2 1 339.524 1.922 20 0 EDADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034044434 709296634 /nfs/dbraw/zinc/29/66/34/709296634.db2.gz BABVXDGDAPLWJQ-MAUKXSAKSA-N 2 1 333.476 1.665 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001034046156 709298855 /nfs/dbraw/zinc/29/88/55/709298855.db2.gz UYQTXNAEEKVMMP-QZTJIDSGSA-N 2 1 345.487 1.940 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCOc2ccccc2)C1 ZINC001034046156 709298857 /nfs/dbraw/zinc/29/88/57/709298857.db2.gz UYQTXNAEEKVMMP-QZTJIDSGSA-N 2 1 345.487 1.940 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCOc2ccccc2)C1 ZINC001034046156 709298859 /nfs/dbraw/zinc/29/88/59/709298859.db2.gz UYQTXNAEEKVMMP-QZTJIDSGSA-N 2 1 345.487 1.940 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCOC3CCC3)CC2)CC[N@H+]1C ZINC001002859217 709467078 /nfs/dbraw/zinc/46/70/78/709467078.db2.gz KZOMKKPIOMKISV-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CCC(CC)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001002873366 709493773 /nfs/dbraw/zinc/49/37/73/709493773.db2.gz BIPHTEWNCXXMDP-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1C ZINC001034214994 709568408 /nfs/dbraw/zinc/56/84/08/709568408.db2.gz TXZGCIKBDFDCJV-JFIYKMOQSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1C ZINC001034214994 709568411 /nfs/dbraw/zinc/56/84/11/709568411.db2.gz TXZGCIKBDFDCJV-JFIYKMOQSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)nn1C ZINC001034214994 709568414 /nfs/dbraw/zinc/56/84/14/709568414.db2.gz TXZGCIKBDFDCJV-JFIYKMOQSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)nn1C ZINC001034214994 709568417 /nfs/dbraw/zinc/56/84/17/709568417.db2.gz TXZGCIKBDFDCJV-JFIYKMOQSA-N 2 1 347.507 1.539 20 0 EDADMP COCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034284873 709687294 /nfs/dbraw/zinc/68/72/94/709687294.db2.gz ORCFWHCQNHMJLK-OAHLLOKOSA-N 2 1 330.432 1.873 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)C1 ZINC000702605017 709700927 /nfs/dbraw/zinc/70/09/27/709700927.db2.gz STQZRBQYFFGEDJ-KEYYUXOJSA-N 2 1 339.480 1.479 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)C1 ZINC000702605017 709700932 /nfs/dbraw/zinc/70/09/32/709700932.db2.gz STQZRBQYFFGEDJ-KEYYUXOJSA-N 2 1 339.480 1.479 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001002996051 709744160 /nfs/dbraw/zinc/74/41/60/709744160.db2.gz VEHMYNKNOLRKEW-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP COC[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340465 709804838 /nfs/dbraw/zinc/80/48/38/709804838.db2.gz NWVOJELLJAZGIQ-JKSUJKDBSA-N 2 1 325.497 1.866 20 0 EDADMP Cc1nccnc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034395093 709932455 /nfs/dbraw/zinc/93/24/55/709932455.db2.gz UPROPAPEXXOTHN-WBVHZDCISA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001034395093 709932459 /nfs/dbraw/zinc/93/24/59/709932459.db2.gz UPROPAPEXXOTHN-WBVHZDCISA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034395093 709932461 /nfs/dbraw/zinc/93/24/61/709932461.db2.gz UPROPAPEXXOTHN-WBVHZDCISA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034395093 709932464 /nfs/dbraw/zinc/93/24/64/709932464.db2.gz UPROPAPEXXOTHN-WBVHZDCISA-N 2 1 345.491 1.598 20 0 EDADMP C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445179 709989908 /nfs/dbraw/zinc/98/99/08/709989908.db2.gz QLDZJADUWQEPQQ-MAUKXSAKSA-N 2 1 333.476 1.713 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3cncs3)C2)C1 ZINC001034490332 710108622 /nfs/dbraw/zinc/10/86/22/710108622.db2.gz KOSPMBJEXPQATI-LSDHHAIUSA-N 2 1 336.505 1.956 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3cncs3)C2)C1 ZINC001034490332 710108625 /nfs/dbraw/zinc/10/86/25/710108625.db2.gz KOSPMBJEXPQATI-LSDHHAIUSA-N 2 1 336.505 1.956 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@H+](Cc3cncs3)C2)C1 ZINC001034490332 710108628 /nfs/dbraw/zinc/10/86/28/710108628.db2.gz KOSPMBJEXPQATI-LSDHHAIUSA-N 2 1 336.505 1.956 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3cncs3)C2)C1 ZINC001034490332 710108629 /nfs/dbraw/zinc/10/86/29/710108629.db2.gz KOSPMBJEXPQATI-LSDHHAIUSA-N 2 1 336.505 1.956 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](Cc2ccc(F)cn2)C1)C12CC[NH+](CC1)C2 ZINC001034485941 710132031 /nfs/dbraw/zinc/13/20/31/710132031.db2.gz HRGZZWZWMLCRLF-KRWDZBQOSA-N 2 1 346.450 1.787 20 0 EDADMP O=C(N[C@H]1CCCC[N@H+](Cc2ccc(F)cn2)C1)C12CC[NH+](CC1)C2 ZINC001034485941 710132034 /nfs/dbraw/zinc/13/20/34/710132034.db2.gz HRGZZWZWMLCRLF-KRWDZBQOSA-N 2 1 346.450 1.787 20 0 EDADMP Cc1oncc1C[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034486783 710133562 /nfs/dbraw/zinc/13/35/62/710133562.db2.gz LZUNHPPPKSLJQZ-MRXNPFEDSA-N 2 1 332.448 1.550 20 0 EDADMP Cc1oncc1C[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034486783 710133567 /nfs/dbraw/zinc/13/35/67/710133567.db2.gz LZUNHPPPKSLJQZ-MRXNPFEDSA-N 2 1 332.448 1.550 20 0 EDADMP CCn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034486913 710133614 /nfs/dbraw/zinc/13/36/14/710133614.db2.gz DAGLRLKOBGYQTA-HOTGVXAUSA-N 2 1 348.495 1.111 20 0 EDADMP CCn1nncc1C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034486913 710133618 /nfs/dbraw/zinc/13/36/18/710133618.db2.gz DAGLRLKOBGYQTA-HOTGVXAUSA-N 2 1 348.495 1.111 20 0 EDADMP CCn1nncc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034486913 710133621 /nfs/dbraw/zinc/13/36/21/710133621.db2.gz DAGLRLKOBGYQTA-HOTGVXAUSA-N 2 1 348.495 1.111 20 0 EDADMP CCn1nncc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034486913 710133625 /nfs/dbraw/zinc/13/36/25/710133625.db2.gz DAGLRLKOBGYQTA-HOTGVXAUSA-N 2 1 348.495 1.111 20 0 EDADMP COc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)on1 ZINC001034526665 710178737 /nfs/dbraw/zinc/17/87/37/710178737.db2.gz ZQNCQEVMRNNXBL-UONOGXRCSA-N 2 1 336.436 1.106 20 0 EDADMP COc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)on1 ZINC001034526665 710178741 /nfs/dbraw/zinc/17/87/41/710178741.db2.gz ZQNCQEVMRNNXBL-UONOGXRCSA-N 2 1 336.436 1.106 20 0 EDADMP COc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)on1 ZINC001034526665 710178744 /nfs/dbraw/zinc/17/87/44/710178744.db2.gz ZQNCQEVMRNNXBL-UONOGXRCSA-N 2 1 336.436 1.106 20 0 EDADMP COc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001034526665 710178750 /nfs/dbraw/zinc/17/87/50/710178750.db2.gz ZQNCQEVMRNNXBL-UONOGXRCSA-N 2 1 336.436 1.106 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC001034606867 710270061 /nfs/dbraw/zinc/27/00/61/710270061.db2.gz GVIWRXNQHVLCGQ-NMFUWQPSSA-N 2 1 334.468 1.285 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)oc1C ZINC001034613169 710288461 /nfs/dbraw/zinc/28/84/61/710288461.db2.gz XKBPAJSCXUYOTM-BZUAXINKSA-N 2 1 334.464 1.903 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC001034608278 710300262 /nfs/dbraw/zinc/30/02/62/710300262.db2.gz YVHPPTCIECJPPI-IIDMSEBBSA-N 2 1 345.491 1.441 20 0 EDADMP Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001034648979 710325590 /nfs/dbraw/zinc/32/55/90/710325590.db2.gz ZBDGXWXTRGGROL-PTNZTPPNSA-N 2 1 349.479 1.796 20 0 EDADMP Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001034648979 710325592 /nfs/dbraw/zinc/32/55/92/710325592.db2.gz ZBDGXWXTRGGROL-PTNZTPPNSA-N 2 1 349.479 1.796 20 0 EDADMP C[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cncc(F)c3)CC2)CC1 ZINC001003544681 710412617 /nfs/dbraw/zinc/41/26/17/710412617.db2.gz SSGGLMPYIQMTMM-UHFFFAOYSA-N 2 1 334.439 1.643 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001003623549 710452904 /nfs/dbraw/zinc/45/29/04/710452904.db2.gz HKZCNEQXAGMMBV-CQSZACIVSA-N 2 1 334.439 1.786 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001003623549 710452905 /nfs/dbraw/zinc/45/29/05/710452905.db2.gz HKZCNEQXAGMMBV-CQSZACIVSA-N 2 1 334.439 1.786 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001003628500 710458672 /nfs/dbraw/zinc/45/86/72/710458672.db2.gz RBDGSIAXVPEWAS-DYVFJYSZSA-N 2 1 329.460 1.160 20 0 EDADMP CO[C@H](C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1)C1CCC1 ZINC001003631795 710460674 /nfs/dbraw/zinc/46/06/74/710460674.db2.gz VHAGWASZNBMMFC-MAUKXSAKSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)ncn1 ZINC001034673979 710637419 /nfs/dbraw/zinc/63/74/19/710637419.db2.gz IJRAVGDIRSZBRQ-JFIYKMOQSA-N 2 1 345.491 1.786 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001005594476 710655492 /nfs/dbraw/zinc/65/54/92/710655492.db2.gz ZLBBVTRQDUDJRS-WMZOPIPTSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H](C)O)CC2)C1 ZINC001034711504 710867898 /nfs/dbraw/zinc/86/78/98/710867898.db2.gz BJUFOAFGRZAOOD-YVSFHVDLSA-N 2 1 325.497 1.506 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)no1 ZINC001034734082 710915321 /nfs/dbraw/zinc/91/53/21/710915321.db2.gz JXPPTSNUFILLTC-FVQBIDKESA-N 2 1 334.464 1.842 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)on1 ZINC001034734803 710917928 /nfs/dbraw/zinc/91/79/28/710917928.db2.gz ZJNHMWQJRWBDLF-FVQBIDKESA-N 2 1 334.464 1.842 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001034734805 710918091 /nfs/dbraw/zinc/91/80/91/710918091.db2.gz ZOGQGEXZMCFUTN-ULQDDVLXSA-N 2 1 347.507 1.762 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001032960411 710968962 /nfs/dbraw/zinc/96/89/62/710968962.db2.gz SDACGBAWZLIYIM-AEFFLSMTSA-N 2 1 331.460 1.822 20 0 EDADMP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001032960411 710968966 /nfs/dbraw/zinc/96/89/66/710968966.db2.gz SDACGBAWZLIYIM-AEFFLSMTSA-N 2 1 331.460 1.822 20 0 EDADMP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001032960411 710968968 /nfs/dbraw/zinc/96/89/68/710968968.db2.gz SDACGBAWZLIYIM-AEFFLSMTSA-N 2 1 331.460 1.822 20 0 EDADMP COc1ccc(CC[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032959188 710983404 /nfs/dbraw/zinc/98/34/04/710983404.db2.gz FHPROFBAIOISNH-PKOBYXMFSA-N 2 1 345.487 1.865 20 0 EDADMP COc1ccc(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001032959188 710983406 /nfs/dbraw/zinc/98/34/06/710983406.db2.gz FHPROFBAIOISNH-PKOBYXMFSA-N 2 1 345.487 1.865 20 0 EDADMP COc1ccc(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001032959188 710983411 /nfs/dbraw/zinc/98/34/11/710983411.db2.gz FHPROFBAIOISNH-PKOBYXMFSA-N 2 1 345.487 1.865 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034775497 711048889 /nfs/dbraw/zinc/04/88/89/711048889.db2.gz AYCXWHXLDXVWDW-JYJNAYRXSA-N 2 1 334.464 1.842 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC001034775545 711049611 /nfs/dbraw/zinc/04/96/11/711049611.db2.gz CKVIRQOLVMSTTG-MHORFTMASA-N 2 1 337.508 1.772 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC001034792391 711119033 /nfs/dbraw/zinc/11/90/33/711119033.db2.gz ILDYHXHXBRNUAW-JYJNAYRXSA-N 2 1 333.480 1.197 20 0 EDADMP CCc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034792887 711120740 /nfs/dbraw/zinc/12/07/40/711120740.db2.gz NXLGXQCWZFWWGM-KBUPBQIOSA-N 2 1 349.479 1.662 20 0 EDADMP CCc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034792887 711120743 /nfs/dbraw/zinc/12/07/43/711120743.db2.gz NXLGXQCWZFWWGM-KBUPBQIOSA-N 2 1 349.479 1.662 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034793191 711121643 /nfs/dbraw/zinc/12/16/43/711121643.db2.gz RUGPYABBSKZDNP-BZUAXINKSA-N 2 1 334.464 1.760 20 0 EDADMP Cc1ncccc1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003967184 711137588 /nfs/dbraw/zinc/13/75/88/711137588.db2.gz IWXKLRGFODPBAV-INIZCTEOSA-N 2 1 330.476 1.812 20 0 EDADMP Cn1nccc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001034830765 711236601 /nfs/dbraw/zinc/23/66/01/711236601.db2.gz CUYYKHLAKIEBOQ-QGZVFWFLSA-N 2 1 341.459 1.278 20 0 EDADMP CC(C)n1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001034884989 711289163 /nfs/dbraw/zinc/28/91/63/711289163.db2.gz OEOXWIFUZWTQOS-IAGOWNOFSA-N 2 1 333.480 1.639 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC[NH+](CCCF)CC1 ZINC001005742720 711365027 /nfs/dbraw/zinc/36/50/27/711365027.db2.gz TZIJICOCXGPZQS-HQVVEAJESA-N 2 1 339.455 1.132 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1)c1ncccn1 ZINC001034957922 711430265 /nfs/dbraw/zinc/43/02/65/711430265.db2.gz PPMVYEBHFMMTCP-GDBMZVCRSA-N 2 1 331.464 1.603 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)c1ncccn1 ZINC001034957922 711430266 /nfs/dbraw/zinc/43/02/66/711430266.db2.gz PPMVYEBHFMMTCP-GDBMZVCRSA-N 2 1 331.464 1.603 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]Cc1cncs1 ZINC001034959252 711433743 /nfs/dbraw/zinc/43/37/43/711433743.db2.gz UNHNBCQBIZRGQL-HIFRSBDPSA-N 2 1 345.472 1.998 20 0 EDADMP Cc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001034959402 711434376 /nfs/dbraw/zinc/43/43/76/711434376.db2.gz YJESPLIVQDOELK-WBVHZDCISA-N 2 1 331.464 1.206 20 0 EDADMP Cc1noc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034939827 711442829 /nfs/dbraw/zinc/44/28/29/711442829.db2.gz NKUGAGLSPZPDSE-FVQBIDKESA-N 2 1 334.464 1.712 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCOCC2)CC[N@H+]1C ZINC001034941519 711446570 /nfs/dbraw/zinc/44/65/70/711446570.db2.gz SULMKRHXWQGKTE-FGTMMUONSA-N 2 1 337.508 1.724 20 0 EDADMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C4CCC4)nn3)C2)[C@H]1C(C)C ZINC000922394616 711461112 /nfs/dbraw/zinc/46/11/12/711461112.db2.gz PKRVGPQBEJWWHS-MKXGPGLRSA-N 2 1 347.507 1.963 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C4CCC4)nn3)C2)[C@H]1C(C)C ZINC000922394616 711461113 /nfs/dbraw/zinc/46/11/13/711461113.db2.gz PKRVGPQBEJWWHS-MKXGPGLRSA-N 2 1 347.507 1.963 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC001004142921 711543005 /nfs/dbraw/zinc/54/30/05/711543005.db2.gz KVWBPSYUAXRIRL-CQSZACIVSA-N 2 1 336.505 1.792 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC001004185839 711627503 /nfs/dbraw/zinc/62/75/03/711627503.db2.gz MXUNEXQHPRHIEQ-ZDUSSCGKSA-N 2 1 337.386 1.240 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC001004185839 711627505 /nfs/dbraw/zinc/62/75/05/711627505.db2.gz MXUNEXQHPRHIEQ-ZDUSSCGKSA-N 2 1 337.386 1.240 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C1CCOCC1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033142336 711948020 /nfs/dbraw/zinc/94/80/20/711948020.db2.gz RKABYRSJPMEJPO-RTBURBONSA-N 2 1 349.519 1.963 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033142336 711948022 /nfs/dbraw/zinc/94/80/22/711948022.db2.gz RKABYRSJPMEJPO-RTBURBONSA-N 2 1 349.519 1.963 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCOCC1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033142336 711948024 /nfs/dbraw/zinc/94/80/24/711948024.db2.gz RKABYRSJPMEJPO-RTBURBONSA-N 2 1 349.519 1.963 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033144435 711979527 /nfs/dbraw/zinc/97/95/27/711979527.db2.gz XGJYUNHIUCPHFL-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033144435 711979529 /nfs/dbraw/zinc/97/95/29/711979529.db2.gz XGJYUNHIUCPHFL-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033144435 711979531 /nfs/dbraw/zinc/97/95/31/711979531.db2.gz XGJYUNHIUCPHFL-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)o1 ZINC001033144593 711980875 /nfs/dbraw/zinc/98/08/75/711980875.db2.gz YWSNZUUJZXLEAG-SJORKVTESA-N 2 1 348.491 1.994 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)o1 ZINC001033144593 711980877 /nfs/dbraw/zinc/98/08/77/711980877.db2.gz YWSNZUUJZXLEAG-SJORKVTESA-N 2 1 348.491 1.994 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)o1 ZINC001033144593 711980882 /nfs/dbraw/zinc/98/08/82/711980882.db2.gz YWSNZUUJZXLEAG-SJORKVTESA-N 2 1 348.491 1.994 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)o1 ZINC001033144593 711980884 /nfs/dbraw/zinc/98/08/84/711980884.db2.gz YWSNZUUJZXLEAG-SJORKVTESA-N 2 1 348.491 1.994 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCCF)C[C@H]3CC2)O1 ZINC000946640258 712114396 /nfs/dbraw/zinc/11/43/96/712114396.db2.gz SFHKWRXDRFPQFV-WCXIOVBPSA-N 2 1 341.471 1.236 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCCF)C[C@H]3CC2)O1 ZINC000946640258 712114398 /nfs/dbraw/zinc/11/43/98/712114398.db2.gz SFHKWRXDRFPQFV-WCXIOVBPSA-N 2 1 341.471 1.236 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCCF)C[C@H]3CC2)O1 ZINC000946640258 712114400 /nfs/dbraw/zinc/11/44/00/712114400.db2.gz SFHKWRXDRFPQFV-WCXIOVBPSA-N 2 1 341.471 1.236 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CCCF)C[C@H]3CC2)O1 ZINC000946640258 712114402 /nfs/dbraw/zinc/11/44/02/712114402.db2.gz SFHKWRXDRFPQFV-WCXIOVBPSA-N 2 1 341.471 1.236 20 0 EDADMP CC[C@@]1(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCC[NH2+]1 ZINC000128993947 529519461 /nfs/dbraw/zinc/51/94/61/529519461.db2.gz YTSXNEYMPSQUCU-IBGZPJMESA-N 2 1 331.460 1.667 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H](O)COCC(F)(F)F ZINC000367925467 282215794 /nfs/dbraw/zinc/21/57/94/282215794.db2.gz LUMKUDJGVVMMCK-SYQHCUMBSA-N 2 1 340.386 1.110 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000178001142 232055267 /nfs/dbraw/zinc/05/52/67/232055267.db2.gz AXLITDVVWXVDKH-RDJZCZTQSA-N 2 1 344.459 1.560 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000178001142 232055269 /nfs/dbraw/zinc/05/52/69/232055269.db2.gz AXLITDVVWXVDKH-RDJZCZTQSA-N 2 1 344.459 1.560 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000332691669 539600636 /nfs/dbraw/zinc/60/06/36/539600636.db2.gz TYPNGIQFYBUQSL-ULQDDVLXSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000332691669 539600640 /nfs/dbraw/zinc/60/06/40/539600640.db2.gz TYPNGIQFYBUQSL-ULQDDVLXSA-N 2 1 338.496 1.269 20 0 EDADMP Cc1nn(C)c2ncc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc12 ZINC000562329039 306295729 /nfs/dbraw/zinc/29/57/29/306295729.db2.gz CEMGHWNKZTVMDL-ZWKOTPCHSA-N 2 1 343.475 1.744 20 0 EDADMP C[C@H]1C[C@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000180999017 234056612 /nfs/dbraw/zinc/05/66/12/234056612.db2.gz KSAUNFKXKOBACU-MAUKXSAKSA-N 2 1 332.492 1.550 20 0 EDADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CCN1C ZINC000180999017 234056617 /nfs/dbraw/zinc/05/66/17/234056617.db2.gz KSAUNFKXKOBACU-MAUKXSAKSA-N 2 1 332.492 1.550 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[NH+]1CCOCC1 ZINC000562790111 306309106 /nfs/dbraw/zinc/30/91/06/306309106.db2.gz VXTXGWMOPKBTFN-XHSDSOJGSA-N 2 1 326.485 1.031 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000183732037 235210042 /nfs/dbraw/zinc/21/00/42/235210042.db2.gz RJXDPQQBABZPEH-CQSZACIVSA-N 2 1 325.420 1.652 20 0 EDADMP C[C@H](c1ccc(Br)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031054 213194642 /nfs/dbraw/zinc/19/46/42/213194642.db2.gz HUSZAFBJGXRVRE-GFCCVEGCSA-N 2 1 340.265 1.874 20 0 EDADMP C[C@H](c1ccc(Br)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031054 213194645 /nfs/dbraw/zinc/19/46/45/213194645.db2.gz HUSZAFBJGXRVRE-GFCCVEGCSA-N 2 1 340.265 1.874 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCOC)[C@@H](CC)C1 ZINC000360886074 283175868 /nfs/dbraw/zinc/17/58/68/283175868.db2.gz FMHSRVAGBFIUAO-SJORKVTESA-N 2 1 342.528 1.859 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000360886074 283175871 /nfs/dbraw/zinc/17/58/71/283175871.db2.gz FMHSRVAGBFIUAO-SJORKVTESA-N 2 1 342.528 1.859 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000360886074 283175876 /nfs/dbraw/zinc/17/58/76/283175876.db2.gz FMHSRVAGBFIUAO-SJORKVTESA-N 2 1 342.528 1.859 20 0 EDADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000563560594 306338974 /nfs/dbraw/zinc/33/89/74/306338974.db2.gz JQTQYVIJJHKZSO-JKSUJKDBSA-N 2 1 346.475 1.411 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)NC1CC[NH+](C2CC2)CC1 ZINC000090519487 138279439 /nfs/dbraw/zinc/27/94/39/138279439.db2.gz KZOVNQFYMTYNLE-DLBZAZTESA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)NC1CC[NH+](C2CC2)CC1 ZINC000090519487 138279440 /nfs/dbraw/zinc/27/94/40/138279440.db2.gz KZOVNQFYMTYNLE-DLBZAZTESA-N 2 1 336.480 1.166 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(O)c3)CC2)CC1 ZINC000093142925 138292037 /nfs/dbraw/zinc/29/20/37/138292037.db2.gz YRXHDFIAAOFKCZ-UHFFFAOYSA-N 2 1 331.460 1.768 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)CC[N@@H+]1C ZINC000123983956 138322876 /nfs/dbraw/zinc/32/28/76/138322876.db2.gz ARAVGWLULBEGML-BBRMVZONSA-N 2 1 332.448 1.529 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)CC[N@H+]1C ZINC000123983956 138322877 /nfs/dbraw/zinc/32/28/77/138322877.db2.gz ARAVGWLULBEGML-BBRMVZONSA-N 2 1 332.448 1.529 20 0 EDADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)CC[NH+]1C ZINC000123983956 138322878 /nfs/dbraw/zinc/32/28/78/138322878.db2.gz ARAVGWLULBEGML-BBRMVZONSA-N 2 1 332.448 1.529 20 0 EDADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)CC[NH+]1C ZINC000123983956 138322879 /nfs/dbraw/zinc/32/28/79/138322879.db2.gz ARAVGWLULBEGML-BBRMVZONSA-N 2 1 332.448 1.529 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CCc2ccc(F)c(F)c2)CC1 ZINC000131339129 138357609 /nfs/dbraw/zinc/35/76/09/138357609.db2.gz RDKGJGVLSSVSHH-KRWDZBQOSA-N 2 1 337.414 1.921 20 0 EDADMP NC(=O)[C@@H]1CCCN1C1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000131339129 138357610 /nfs/dbraw/zinc/35/76/10/138357610.db2.gz RDKGJGVLSSVSHH-KRWDZBQOSA-N 2 1 337.414 1.921 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@]3(CC[N@H+](C)C3)C1)n2C ZINC000563733705 306346273 /nfs/dbraw/zinc/34/62/73/306346273.db2.gz PJKQYKYQNQWCKP-GOSISDBHSA-N 2 1 342.447 1.202 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@]3(CC[N@@H+](C)C3)C1)n2C ZINC000563733705 306346274 /nfs/dbraw/zinc/34/62/74/306346274.db2.gz PJKQYKYQNQWCKP-GOSISDBHSA-N 2 1 342.447 1.202 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000186981835 236084979 /nfs/dbraw/zinc/08/49/79/236084979.db2.gz UODBTZTXCCDPTE-HNNXBMFYSA-N 2 1 333.476 1.665 20 0 EDADMP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639818749 452153768 /nfs/dbraw/zinc/15/37/68/452153768.db2.gz CWUBCHQATSLDHO-ZIAGYGMSSA-N 2 1 325.419 1.646 20 0 EDADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639818749 452153773 /nfs/dbraw/zinc/15/37/73/452153773.db2.gz CWUBCHQATSLDHO-ZIAGYGMSSA-N 2 1 325.419 1.646 20 0 EDADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639818749 452153777 /nfs/dbraw/zinc/15/37/77/452153777.db2.gz CWUBCHQATSLDHO-ZIAGYGMSSA-N 2 1 325.419 1.646 20 0 EDADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639818749 452153781 /nfs/dbraw/zinc/15/37/81/452153781.db2.gz CWUBCHQATSLDHO-ZIAGYGMSSA-N 2 1 325.419 1.646 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000564837926 306366397 /nfs/dbraw/zinc/36/63/97/306366397.db2.gz SEXSGXYRODXWOR-YVWKXTFCSA-N 2 1 327.472 1.860 20 0 EDADMP CN(C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CCC[N@H+](C)C1 ZINC000072497348 216263205 /nfs/dbraw/zinc/26/32/05/216263205.db2.gz AXAYEZGNSYAPEA-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP CN(C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CCC[N@@H+](C)C1 ZINC000072497348 216263208 /nfs/dbraw/zinc/26/32/08/216263208.db2.gz AXAYEZGNSYAPEA-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP CN(C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH+](C)C1 ZINC000072497348 216263212 /nfs/dbraw/zinc/26/32/12/216263212.db2.gz AXAYEZGNSYAPEA-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP CN(C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH+](C)C1 ZINC000072497348 216263214 /nfs/dbraw/zinc/26/32/14/216263214.db2.gz AXAYEZGNSYAPEA-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000414113588 304100564 /nfs/dbraw/zinc/10/05/64/304100564.db2.gz KUYBZJBRJUZUAQ-QWHCGFSZSA-N 2 1 341.477 1.817 20 0 EDADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000414113588 304100565 /nfs/dbraw/zinc/10/05/65/304100565.db2.gz KUYBZJBRJUZUAQ-QWHCGFSZSA-N 2 1 341.477 1.817 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000565588101 306387279 /nfs/dbraw/zinc/38/72/79/306387279.db2.gz XQUHHLYEMVHSGQ-HYVNUMGLSA-N 2 1 333.480 1.859 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000565954165 306395659 /nfs/dbraw/zinc/39/56/59/306395659.db2.gz MZDOKOVCHZEDSR-SJLPKXTDSA-N 2 1 328.460 1.647 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000414696547 304128737 /nfs/dbraw/zinc/12/87/37/304128737.db2.gz GKMJEUFPAFGKGR-ZIAGYGMSSA-N 2 1 332.448 1.493 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000414740187 304135120 /nfs/dbraw/zinc/13/51/20/304135120.db2.gz JOCXUBHCPXUYIV-CABCVRRESA-N 2 1 346.475 1.581 20 0 EDADMP COCCN(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cn1 ZINC000414780249 304139739 /nfs/dbraw/zinc/13/97/39/304139739.db2.gz LDXPHKNTUXFUNA-KRWDZBQOSA-N 2 1 348.491 1.352 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000415093921 304159044 /nfs/dbraw/zinc/15/90/44/304159044.db2.gz CVSBXABWNHLWCK-GOSISDBHSA-N 2 1 330.476 1.905 20 0 EDADMP CC(C)C[C@H]([NH3+])CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000415092975 304159264 /nfs/dbraw/zinc/15/92/64/304159264.db2.gz UOKLKHOBXLWTHO-MOPGFXCFSA-N 2 1 346.519 1.847 20 0 EDADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000415092975 304159266 /nfs/dbraw/zinc/15/92/66/304159266.db2.gz UOKLKHOBXLWTHO-MOPGFXCFSA-N 3 1 346.519 1.847 20 0 EDADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000415092975 304159268 /nfs/dbraw/zinc/15/92/68/304159268.db2.gz UOKLKHOBXLWTHO-MOPGFXCFSA-N 3 1 346.519 1.847 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000195162776 139008372 /nfs/dbraw/zinc/00/83/72/139008372.db2.gz MDSKEOQIPYKTSR-IAGOWNOFSA-N 2 1 330.476 1.313 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cs1 ZINC000195250565 139011361 /nfs/dbraw/zinc/01/13/61/139011361.db2.gz PJPNDVARGCBFHH-GASCZTMLSA-N 2 1 334.489 1.341 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000415157092 304167279 /nfs/dbraw/zinc/16/72/79/304167279.db2.gz CWLRNHWAKHWPNJ-LXZKKBNFSA-N 2 1 344.459 1.588 20 0 EDADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415156534 304167045 /nfs/dbraw/zinc/16/70/45/304167045.db2.gz ZUVVKKLJBBUJGX-DLBZAZTESA-N 2 1 344.459 1.430 20 0 EDADMP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000236693723 139029010 /nfs/dbraw/zinc/02/90/10/139029010.db2.gz AHHBCCCKMXAZLD-INIZCTEOSA-N 2 1 347.507 1.473 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236947684 139035890 /nfs/dbraw/zinc/03/58/90/139035890.db2.gz BVQCFAFIYAESMK-KSZLIROESA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236947684 139035891 /nfs/dbraw/zinc/03/58/91/139035891.db2.gz BVQCFAFIYAESMK-KSZLIROESA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000236951291 139036277 /nfs/dbraw/zinc/03/62/77/139036277.db2.gz BQCDLXWFNQLYSS-QAPCUYQASA-N 2 1 332.492 1.424 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000236959802 139036526 /nfs/dbraw/zinc/03/65/26/139036526.db2.gz JHKCTJBMWGRZBG-SFHVURJKSA-N 2 1 330.476 1.192 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237025804 139038480 /nfs/dbraw/zinc/03/84/80/139038480.db2.gz WGSNITDMPGQGLO-YRXWBPOGSA-N 2 1 345.487 1.910 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237025804 139038481 /nfs/dbraw/zinc/03/84/81/139038481.db2.gz WGSNITDMPGQGLO-YRXWBPOGSA-N 2 1 345.487 1.910 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[C@@H]3[NH3+])CC2)cs1 ZINC000237723265 139058724 /nfs/dbraw/zinc/05/87/24/139058724.db2.gz RIKRGVZRESJIQL-HOTGVXAUSA-N 2 1 336.505 1.907 20 0 EDADMP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)s1 ZINC000246435981 139108403 /nfs/dbraw/zinc/10/84/03/139108403.db2.gz OESONOLODBCSNK-FZMZJTMJSA-N 2 1 345.534 1.716 20 0 EDADMP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)s1 ZINC000246435981 139108404 /nfs/dbraw/zinc/10/84/04/139108404.db2.gz OESONOLODBCSNK-FZMZJTMJSA-N 2 1 345.534 1.716 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000246941203 139127694 /nfs/dbraw/zinc/12/76/94/139127694.db2.gz HOJYTTRFZCJUQG-OWCLPIDISA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NC(C)(C)C[NH3+])c2C1 ZINC000415377800 304208371 /nfs/dbraw/zinc/20/83/71/304208371.db2.gz GLQXJMAVPKVPGU-CYBMUJFWSA-N 2 1 346.475 1.839 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247482521 139150041 /nfs/dbraw/zinc/15/00/41/139150041.db2.gz JWBBJBNFHYRBJS-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000247482521 139150042 /nfs/dbraw/zinc/15/00/42/139150042.db2.gz JWBBJBNFHYRBJS-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP OCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000248400199 139162031 /nfs/dbraw/zinc/16/20/31/139162031.db2.gz KREKNQSFSPUVIG-CEXWTWQISA-N 2 1 330.472 1.886 20 0 EDADMP [NH3+]Cc1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000248877757 139178819 /nfs/dbraw/zinc/17/88/19/139178819.db2.gz NCIBRVZVKQUZNR-RBUKOAKNSA-N 2 1 339.439 1.511 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000248930817 139180897 /nfs/dbraw/zinc/18/08/97/139180897.db2.gz XTSIOZKTQQOYIG-MAUKXSAKSA-N 2 1 330.476 1.900 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112214565 220264461 /nfs/dbraw/zinc/26/44/61/220264461.db2.gz FDUGOWZGPOJSIY-UHFFFAOYSA-N 2 1 342.553 1.989 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C)C(C)C ZINC000410475621 250320400 /nfs/dbraw/zinc/32/04/00/250320400.db2.gz MZSUFZMTSBEGKH-MRXNPFEDSA-N 2 1 340.512 1.116 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N1CCO[C@H]3CCCC[C@H]31)CC[NH2+]CC2 ZINC000424284603 296294163 /nfs/dbraw/zinc/29/41/63/296294163.db2.gz DHEAFWZWNVTYJS-ZACQAIPSSA-N 2 1 335.492 1.620 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000250090812 139200289 /nfs/dbraw/zinc/20/02/89/139200289.db2.gz QFGUGDFOKUKWHX-IEBWSBKVSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000250090812 139200290 /nfs/dbraw/zinc/20/02/90/139200290.db2.gz QFGUGDFOKUKWHX-IEBWSBKVSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000250090812 139200291 /nfs/dbraw/zinc/20/02/91/139200291.db2.gz QFGUGDFOKUKWHX-IEBWSBKVSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000250090812 139200292 /nfs/dbraw/zinc/20/02/92/139200292.db2.gz QFGUGDFOKUKWHX-IEBWSBKVSA-N 2 1 331.460 1.488 20 0 EDADMP Clc1ccc(-c2noc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000261608860 139210571 /nfs/dbraw/zinc/21/05/71/139210571.db2.gz DGVWYTAEAXEZEB-HNNXBMFYSA-N 2 1 347.850 1.870 20 0 EDADMP Clc1ccc(-c2noc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000261608860 139210572 /nfs/dbraw/zinc/21/05/72/139210572.db2.gz DGVWYTAEAXEZEB-HNNXBMFYSA-N 2 1 347.850 1.870 20 0 EDADMP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000261649169 139214417 /nfs/dbraw/zinc/21/44/17/139214417.db2.gz DYYMMBKZIYUJOY-HXUWFJFHSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000261649169 139214418 /nfs/dbraw/zinc/21/44/18/139214418.db2.gz DYYMMBKZIYUJOY-HXUWFJFHSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261769365 139224290 /nfs/dbraw/zinc/22/42/90/139224290.db2.gz IRKYDFCYSMDHMH-IAGOWNOFSA-N 2 1 345.491 1.098 20 0 EDADMP CC(C)N(C)c1cnn([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c(=O)c1 ZINC000261826168 139229428 /nfs/dbraw/zinc/22/94/28/139229428.db2.gz QWLZALAMUSQHTR-SJORKVTESA-N 2 1 347.507 1.724 20 0 EDADMP CC(C)N(C)c1cnn([C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c(=O)c1 ZINC000261826168 139229429 /nfs/dbraw/zinc/22/94/29/139229429.db2.gz QWLZALAMUSQHTR-SJORKVTESA-N 2 1 347.507 1.724 20 0 EDADMP O=C(CC[C@H]1CC[NH2+]C1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000261861537 139232251 /nfs/dbraw/zinc/23/22/51/139232251.db2.gz PRZVZOZIZZMOAV-FUHWJXTLSA-N 2 1 331.460 1.254 20 0 EDADMP Clc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)nc1 ZINC000261845170 139230935 /nfs/dbraw/zinc/23/09/35/139230935.db2.gz AQWLCELGXFQZOZ-RRFJBIMHSA-N 2 1 325.840 1.861 20 0 EDADMP CN(C)c1ccccc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261892429 139234562 /nfs/dbraw/zinc/23/45/62/139234562.db2.gz QRUFIYJKLZFCMK-SJLPKXTDSA-N 2 1 344.503 1.833 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261913102 139236455 /nfs/dbraw/zinc/23/64/55/139236455.db2.gz YPKKYXUOEWGSPQ-IBGZPJMESA-N 2 1 338.540 1.402 20 0 EDADMP CC1(C)CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000262019768 139244389 /nfs/dbraw/zinc/24/43/89/139244389.db2.gz AFFVYOYBXKCJLR-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262098299 139250798 /nfs/dbraw/zinc/25/07/98/139250798.db2.gz IJYZDZUYLRRKKI-CQSZACIVSA-N 2 1 333.867 1.706 20 0 EDADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262098299 139250799 /nfs/dbraw/zinc/25/07/99/139250799.db2.gz IJYZDZUYLRRKKI-CQSZACIVSA-N 2 1 333.867 1.706 20 0 EDADMP COc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262129404 139253356 /nfs/dbraw/zinc/25/33/56/139253356.db2.gz NQGGUGZGORDTNH-AWEZNQCLSA-N 2 1 341.402 1.776 20 0 EDADMP COc1ccc(OC(F)F)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262129404 139253357 /nfs/dbraw/zinc/25/33/57/139253357.db2.gz NQGGUGZGORDTNH-AWEZNQCLSA-N 2 1 341.402 1.776 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C2([NH3+])CCCC2)CC1 ZINC000262129159 139253481 /nfs/dbraw/zinc/25/34/81/139253481.db2.gz ICISCUQOSJYVQK-UHFFFAOYSA-N 2 1 344.503 1.712 20 0 EDADMP CSc1cc(Br)ccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262179816 139257843 /nfs/dbraw/zinc/25/78/43/139257843.db2.gz WQCIGYGJUPVMFU-CMPLNLGQSA-N 2 1 331.279 1.841 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCCCC[NH3+])cc2)C1 ZINC000415561459 251014608 /nfs/dbraw/zinc/01/46/08/251014608.db2.gz HRULZHWXBIRVJY-HNNXBMFYSA-N 2 1 346.475 1.712 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2cccc(C[NH2+]C)c2)CC[N@H+]1C[C@H](C)O ZINC000415941076 251036914 /nfs/dbraw/zinc/03/69/14/251036914.db2.gz GFOBZRZDFYXNNZ-WMLDXEAASA-N 2 1 334.464 1.715 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415942494 251036970 /nfs/dbraw/zinc/03/69/70/251036970.db2.gz BFMSCYFWQLMYRQ-RHSMWYFYSA-N 2 1 348.447 1.351 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1O ZINC000262222254 139261337 /nfs/dbraw/zinc/26/13/37/139261337.db2.gz MVGJFBONLUPULS-JKSUJKDBSA-N 2 1 347.459 1.481 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000417307551 251153933 /nfs/dbraw/zinc/15/39/33/251153933.db2.gz BXAWHJRTIWUIFF-ARFHVFGLSA-N 2 1 330.476 1.812 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC[C@@H]([NH3+])C3)c2)CCO1 ZINC000417268753 251151537 /nfs/dbraw/zinc/15/15/37/251151537.db2.gz KGLVQJZWTPMUER-MAUKXSAKSA-N 2 1 346.475 1.540 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC[C@@H]([NH3+])C3)c2)CCO1 ZINC000417268753 251151539 /nfs/dbraw/zinc/15/15/39/251151539.db2.gz KGLVQJZWTPMUER-MAUKXSAKSA-N 2 1 346.475 1.540 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417519681 251183136 /nfs/dbraw/zinc/18/31/36/251183136.db2.gz VQWCEGUWEYFASY-ZWKOTPCHSA-N 2 1 348.491 1.747 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262372818 139274103 /nfs/dbraw/zinc/27/41/03/139274103.db2.gz WJUOQVCJQMUFQB-KRWDZBQOSA-N 2 1 345.491 1.152 20 0 EDADMP COC[C@]1(CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000417594641 251201982 /nfs/dbraw/zinc/20/19/82/251201982.db2.gz WOIBDSKUOVBTID-QFBILLFUSA-N 2 1 348.491 1.575 20 0 EDADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CCCCC1 ZINC000262400655 139276395 /nfs/dbraw/zinc/27/63/95/139276395.db2.gz OEIWTJFHIPASRM-MOPGFXCFSA-N 2 1 345.487 1.790 20 0 EDADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000417608547 251204933 /nfs/dbraw/zinc/20/49/33/251204933.db2.gz JFQAPXGIQMTFOM-HNNXBMFYSA-N 2 1 340.537 1.455 20 0 EDADMP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000262395488 139275964 /nfs/dbraw/zinc/27/59/64/139275964.db2.gz ZEYVFIQYKWWMJG-FGTMMUONSA-N 2 1 331.460 1.473 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3CCC[NH2+][C@H]3C)CC2)[nH+]1 ZINC000417703505 251234357 /nfs/dbraw/zinc/23/43/57/251234357.db2.gz REHHGWIUBOKXKG-HOCLYGCPSA-N 2 1 331.464 1.799 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NCC[C@H]3CCC[NH2+]3)CC2)[nH+]1 ZINC000417700003 251234601 /nfs/dbraw/zinc/23/46/01/251234601.db2.gz LOSCAZPNGXVFDB-OAHLLOKOSA-N 2 1 331.464 1.800 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000417668273 251220929 /nfs/dbraw/zinc/22/09/29/251220929.db2.gz JBXFGXOFFPICQV-RDJZCZTQSA-N 2 1 338.496 1.342 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N3C[C@H](C[NH3+])C[C@H]3C)CC2)[nH+]c1 ZINC000417724229 251243035 /nfs/dbraw/zinc/24/30/35/251243035.db2.gz DIUSQQOXIFKTKI-CABCVRRESA-N 2 1 331.464 1.738 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)c2C1 ZINC000415578915 304231179 /nfs/dbraw/zinc/23/11/79/304231179.db2.gz PPSKPJPNKIATNY-ZIAGYGMSSA-N 2 1 344.459 1.546 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)c2C1 ZINC000415578915 304231181 /nfs/dbraw/zinc/23/11/81/304231181.db2.gz PPSKPJPNKIATNY-ZIAGYGMSSA-N 2 1 344.459 1.546 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000418110489 251324959 /nfs/dbraw/zinc/32/49/59/251324959.db2.gz FESZAZMDZKPUBA-OWCLPIDISA-N 2 1 326.485 1.256 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCCO1 ZINC000418113653 251326584 /nfs/dbraw/zinc/32/65/84/251326584.db2.gz JXBQHGLVPKYFFS-ULQDDVLXSA-N 2 1 340.512 1.552 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000418111111 251326796 /nfs/dbraw/zinc/32/67/96/251326796.db2.gz GJMDVUXGWYXHEN-CABCVRRESA-N 2 1 326.485 1.256 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000418476389 251373543 /nfs/dbraw/zinc/37/35/43/251373543.db2.gz TZJAQTZTFBKGGQ-QGZVFWFLSA-N 2 1 340.512 1.504 20 0 EDADMP Cc1cc(CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000418197002 251355319 /nfs/dbraw/zinc/35/53/19/251355319.db2.gz IPGAUNHOSZYDKS-HOCLYGCPSA-N 2 1 331.464 1.869 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000418197551 251355331 /nfs/dbraw/zinc/35/53/31/251355331.db2.gz TWWRZCZATKOWEX-BGTYHANMSA-N 2 1 328.460 1.653 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000418531581 251377398 /nfs/dbraw/zinc/37/73/98/251377398.db2.gz BLXCCTYPYBBJQJ-IBGZPJMESA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000418679868 251384758 /nfs/dbraw/zinc/38/47/58/251384758.db2.gz BZHXZAOBRGGNEH-FXUDXRNXSA-N 2 1 326.485 1.397 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)C1 ZINC000262653211 139293308 /nfs/dbraw/zinc/29/33/08/139293308.db2.gz SNNFXLOEGQXOBH-XHSDSOJGSA-N 2 1 344.459 1.450 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262653106 139293405 /nfs/dbraw/zinc/29/34/05/139293405.db2.gz SDGFDHGGJUHSMN-FUHWJXTLSA-N 2 1 332.492 1.466 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)C1 ZINC000262646392 139292869 /nfs/dbraw/zinc/29/28/69/139292869.db2.gz ODBKQNKTWMYSBT-HOTGVXAUSA-N 2 1 344.459 1.322 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000262850954 139308011 /nfs/dbraw/zinc/30/80/11/139308011.db2.gz SHIQUHPTBDUDLJ-AEFFLSMTSA-N 2 1 332.492 1.609 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000262850954 139308012 /nfs/dbraw/zinc/30/80/12/139308012.db2.gz SHIQUHPTBDUDLJ-AEFFLSMTSA-N 2 1 332.492 1.609 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000262850954 139308013 /nfs/dbraw/zinc/30/80/13/139308013.db2.gz SHIQUHPTBDUDLJ-AEFFLSMTSA-N 2 1 332.492 1.609 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N[C@@H]3C[NH2+]CC[C@@H]3C)C2)cc(OC)c1 ZINC000422860349 252002025 /nfs/dbraw/zinc/00/20/25/252002025.db2.gz IDBQAUYTYWJWPZ-URLQWDBASA-N 2 1 333.476 1.866 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N[C@@H]3C[NH2+]CC[C@@H]3C)C2)cc(OC)c1 ZINC000422860349 252002029 /nfs/dbraw/zinc/00/20/29/252002029.db2.gz IDBQAUYTYWJWPZ-URLQWDBASA-N 2 1 333.476 1.866 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000423344335 252047026 /nfs/dbraw/zinc/04/70/26/252047026.db2.gz XQTXYOFNNYJVLE-OWCLPIDISA-N 2 1 347.507 1.975 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000423790433 252075325 /nfs/dbraw/zinc/07/53/25/252075325.db2.gz GOWSBKHCHFQACA-NLWGTHIKSA-N 2 1 342.487 1.752 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000424151733 252145632 /nfs/dbraw/zinc/14/56/32/252145632.db2.gz HVLVTXJUMNIAGU-UHFFFAOYSA-N 2 1 341.358 1.262 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000424216499 252165910 /nfs/dbraw/zinc/16/59/10/252165910.db2.gz IIMUKTGXSHXLMZ-UHFFFAOYSA-N 2 1 333.476 1.631 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000424468817 252240502 /nfs/dbraw/zinc/24/05/02/252240502.db2.gz PSJMHMNYROSBBY-NVXWUHKLSA-N 2 1 344.459 1.335 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000424443368 252233668 /nfs/dbraw/zinc/23/36/68/252233668.db2.gz XPCUHOWTSRVJAY-OAHLLOKOSA-N 2 1 346.475 1.773 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000424449937 252235705 /nfs/dbraw/zinc/23/57/05/252235705.db2.gz UXRTWMMCCRJWBN-AWEZNQCLSA-N 2 1 332.448 1.240 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C[C@@H]1CC ZINC000263031726 139318811 /nfs/dbraw/zinc/31/88/11/139318811.db2.gz RZOUANJWQSAPHT-BQFCYCMXSA-N 2 1 325.497 1.853 20 0 EDADMP CC[NH+]1CCC([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1 ZINC000329061058 285191597 /nfs/dbraw/zinc/19/15/97/285191597.db2.gz ZENKVMOERHZQCD-VQIMIIECSA-N 2 1 345.491 1.689 20 0 EDADMP CC[NH+]1CCC(NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000339521323 285190523 /nfs/dbraw/zinc/19/05/23/285190523.db2.gz MVQVWJKQQVOARR-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000153733849 224149843 /nfs/dbraw/zinc/14/98/43/224149843.db2.gz ALDQVQIQLQJKRC-AWEZNQCLSA-N 2 1 328.478 1.709 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000153733849 224149844 /nfs/dbraw/zinc/14/98/44/224149844.db2.gz ALDQVQIQLQJKRC-AWEZNQCLSA-N 2 1 328.478 1.709 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000471643572 255015458 /nfs/dbraw/zinc/01/54/58/255015458.db2.gz RFFYAIWAZCTTPB-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000154304599 224234390 /nfs/dbraw/zinc/23/43/90/224234390.db2.gz DEXQYQKXPLLMBI-HNNXBMFYSA-N 2 1 334.464 1.837 20 0 EDADMP C[NH+](C)C/C=C/C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000491889511 255154153 /nfs/dbraw/zinc/15/41/53/255154153.db2.gz VZZIWOBVMRJSNT-DHINHOHASA-N 2 1 344.459 1.440 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496178489 255361873 /nfs/dbraw/zinc/36/18/73/255361873.db2.gz ZWIQPJRMNTYGIH-GOEBONIOSA-N 2 1 341.496 1.678 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496178489 255361874 /nfs/dbraw/zinc/36/18/74/255361874.db2.gz ZWIQPJRMNTYGIH-GOEBONIOSA-N 2 1 341.496 1.678 20 0 EDADMP CC[NH+]1CCN(CC2(CN3CC[N@H+](CC)C[C@H]3C)COC2)[C@H](C)C1 ZINC000352665127 285314462 /nfs/dbraw/zinc/31/44/62/285314462.db2.gz DTGWQKCPLVETBH-QZTJIDSGSA-N 2 1 338.540 1.055 20 0 EDADMP CCN1CC[N@H+](CC2(CN3CC[NH+](CC)C[C@H]3C)COC2)[C@H](C)C1 ZINC000352665127 285314471 /nfs/dbraw/zinc/31/44/71/285314471.db2.gz DTGWQKCPLVETBH-QZTJIDSGSA-N 2 1 338.540 1.055 20 0 EDADMP CCN1CC[N@@H+](CC2(CN3CC[NH+](CC)C[C@H]3C)COC2)[C@H](C)C1 ZINC000352665127 285314476 /nfs/dbraw/zinc/31/44/76/285314476.db2.gz DTGWQKCPLVETBH-QZTJIDSGSA-N 2 1 338.540 1.055 20 0 EDADMP CCN1CC[NH+](CC2(CN3CC[N@H+](CC)C[C@H]3C)COC2)[C@H](C)C1 ZINC000352665127 285314480 /nfs/dbraw/zinc/31/44/80/285314480.db2.gz DTGWQKCPLVETBH-QZTJIDSGSA-N 2 1 338.540 1.055 20 0 EDADMP CCN1CC[NH+](CC2(CN3CC[N@@H+](CC)C[C@H]3C)COC2)[C@H](C)C1 ZINC000352665127 285314486 /nfs/dbraw/zinc/31/44/86/285314486.db2.gz DTGWQKCPLVETBH-QZTJIDSGSA-N 2 1 338.540 1.055 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000119562427 221348470 /nfs/dbraw/zinc/34/84/70/221348470.db2.gz XMDNDLCOCDLBKQ-SFHVURJKSA-N 2 1 332.492 1.466 20 0 EDADMP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC000106804714 285337334 /nfs/dbraw/zinc/33/73/34/285337334.db2.gz FXYMQCIFAUTEHX-OALUTQOASA-N 2 1 344.503 1.528 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000264280440 139393034 /nfs/dbraw/zinc/39/30/34/139393034.db2.gz GXJVGPIKNJAKEQ-IRXDYDNUSA-N 2 1 347.503 1.888 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)oc1C ZINC000264274743 139392450 /nfs/dbraw/zinc/39/24/50/139392450.db2.gz CCABVCRKIMINSD-ZDUSSCGKSA-N 2 1 338.448 1.899 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC1(CO)CC1 ZINC000186795972 533298529 /nfs/dbraw/zinc/29/85/29/533298529.db2.gz UNMXBNRQNSAAEJ-FUHWJXTLSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC1(CO)CC1 ZINC000186795972 533298532 /nfs/dbraw/zinc/29/85/32/533298532.db2.gz UNMXBNRQNSAAEJ-FUHWJXTLSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC1(CO)CC1 ZINC000186795972 533298537 /nfs/dbraw/zinc/29/85/37/533298537.db2.gz UNMXBNRQNSAAEJ-FUHWJXTLSA-N 2 1 345.487 1.470 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2ccccc2C[NH2+]C)CC[N@H+]1C[C@H](C)O ZINC000415915571 304285245 /nfs/dbraw/zinc/28/52/45/304285245.db2.gz ZHNGRQGGMXXJIJ-GOEBONIOSA-N 2 1 334.464 1.715 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416050911 304287308 /nfs/dbraw/zinc/28/73/08/304287308.db2.gz SIWRDIMIJBBUBU-LLVKDONJSA-N 2 1 340.390 1.018 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416050911 304287311 /nfs/dbraw/zinc/28/73/11/304287311.db2.gz SIWRDIMIJBBUBU-LLVKDONJSA-N 2 1 340.390 1.018 20 0 EDADMP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1[NH+](C)C ZINC000271431188 140295058 /nfs/dbraw/zinc/29/50/58/140295058.db2.gz AAFZPMYPFYKQRV-HKUYNNGSSA-N 2 1 344.503 1.213 20 0 EDADMP c1ccc(C[N@H+]2CC[C@H](N3CC[C@@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000271458901 140298338 /nfs/dbraw/zinc/29/83/38/140298338.db2.gz WRXRLLZKGXBHDI-PMACEKPBSA-N 2 1 329.488 1.915 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[C@@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000271458901 140298340 /nfs/dbraw/zinc/29/83/40/140298340.db2.gz WRXRLLZKGXBHDI-PMACEKPBSA-N 2 1 329.488 1.915 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271786513 140349786 /nfs/dbraw/zinc/34/97/86/140349786.db2.gz WCEAHSVHIKDYOB-STQMWFEESA-N 2 1 336.461 1.826 20 0 EDADMP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+]C(C)C)cc2)CC1 ZINC000271831588 140357889 /nfs/dbraw/zinc/35/78/89/140357889.db2.gz DZSCZYNWPBDYLD-UHFFFAOYSA-N 2 1 333.476 1.770 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000331615196 141057310 /nfs/dbraw/zinc/05/73/10/141057310.db2.gz SJBUCSYUAYGGJX-JOCBIADPSA-N 2 1 330.476 1.886 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000332035978 141113712 /nfs/dbraw/zinc/11/37/12/141113712.db2.gz ULOUJDWFSJEPQI-GJZGRUSLSA-N 2 1 326.485 1.256 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC2([NH3+])CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000332323490 141162384 /nfs/dbraw/zinc/16/23/84/141162384.db2.gz RYHZYXBDBYKTFH-CVEARBPZSA-N 2 1 338.496 1.400 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000332563679 141204000 /nfs/dbraw/zinc/20/40/00/141204000.db2.gz WJCGCQYSILLIEI-CVEARBPZSA-N 2 1 331.464 1.739 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000333073529 141259236 /nfs/dbraw/zinc/25/92/36/141259236.db2.gz ASCMAVWVYIDGAT-HNNXBMFYSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000333073529 141259237 /nfs/dbraw/zinc/25/92/37/141259237.db2.gz ASCMAVWVYIDGAT-HNNXBMFYSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C[C@H](C)O1 ZINC000333350087 141303808 /nfs/dbraw/zinc/30/38/08/141303808.db2.gz JJXOSOWXCCICCH-QRJUGERDSA-N 2 1 338.496 1.253 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C[C@H](C)O1 ZINC000333350087 141303810 /nfs/dbraw/zinc/30/38/10/141303810.db2.gz JJXOSOWXCCICCH-QRJUGERDSA-N 2 1 338.496 1.253 20 0 EDADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000333528945 141332000 /nfs/dbraw/zinc/33/20/00/141332000.db2.gz HQEYAQGSAFERRZ-INIZCTEOSA-N 2 1 338.496 1.128 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000333634352 141348065 /nfs/dbraw/zinc/34/80/65/141348065.db2.gz SYRAAIUMJGOAOW-IAGOWNOFSA-N 2 1 338.496 1.272 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000333728942 141367666 /nfs/dbraw/zinc/36/76/66/141367666.db2.gz VTWBTAHBOUCHTJ-XJKSGUPXSA-N 2 1 332.448 1.941 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000333805437 141384747 /nfs/dbraw/zinc/38/47/47/141384747.db2.gz OSGAAGHHWFFCOT-FCLVOEFKSA-N 2 1 342.487 1.812 20 0 EDADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000339610747 142092528 /nfs/dbraw/zinc/09/25/28/142092528.db2.gz GVSPXRWOGHIWEU-MRXNPFEDSA-N 2 1 340.512 1.020 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000339610747 142092529 /nfs/dbraw/zinc/09/25/29/142092529.db2.gz GVSPXRWOGHIWEU-MRXNPFEDSA-N 2 1 340.512 1.020 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCn2cc[nH+]c2C)C[C@H]1C ZINC000340203014 142301485 /nfs/dbraw/zinc/30/14/85/142301485.db2.gz FWCWKHGOAPXGMS-GDBMZVCRSA-N 2 1 349.479 1.029 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCn2cc[nH+]c2C)C[C@H]1C ZINC000340203014 142301486 /nfs/dbraw/zinc/30/14/86/142301486.db2.gz FWCWKHGOAPXGMS-GDBMZVCRSA-N 2 1 349.479 1.029 20 0 EDADMP CCC[NH+]1CCC(NC2CC[NH+](CCCC(=O)OC)CC2)CC1 ZINC000342557795 142732176 /nfs/dbraw/zinc/73/21/76/142732176.db2.gz PRMAOMAHDZASNA-UHFFFAOYSA-N 2 1 325.497 1.868 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCC[N@@H+]1C ZINC000345289693 143073734 /nfs/dbraw/zinc/07/37/34/143073734.db2.gz KPXQCKOIJUYKGP-MJGOQNOKSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCC[N@H+]1C ZINC000345289693 143073735 /nfs/dbraw/zinc/07/37/35/143073735.db2.gz KPXQCKOIJUYKGP-MJGOQNOKSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H]1[C@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CCC[N@H+]1C ZINC000345294403 143074347 /nfs/dbraw/zinc/07/43/47/143074347.db2.gz BQNHUQZVJRGRHN-LSDHHAIUSA-N 2 1 331.464 1.046 20 0 EDADMP CC[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1C[C@@H](C)O ZINC000345321758 143077765 /nfs/dbraw/zinc/07/77/65/143077765.db2.gz PYCRIMPXKJODAZ-CVEARBPZSA-N 2 1 340.512 1.347 20 0 EDADMP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000345706274 143123601 /nfs/dbraw/zinc/12/36/01/143123601.db2.gz GXINTQAUDGWBBY-CABCVRRESA-N 2 1 325.403 1.650 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)CCC[N@H+]1C ZINC000345766641 143130932 /nfs/dbraw/zinc/13/09/32/143130932.db2.gz AKIABTVFKFYUGU-RDJZCZTQSA-N 2 1 333.480 1.638 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC2([NH+](C)C)CCCC2)[N@@H+](C)C1 ZINC000345852268 143139705 /nfs/dbraw/zinc/13/97/05/143139705.db2.gz LFDKFVIYBPELEK-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC000345986346 143154199 /nfs/dbraw/zinc/15/41/99/143154199.db2.gz QQKZPLGFUNAKIT-INIZCTEOSA-N 2 1 340.512 1.214 20 0 EDADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000346000107 143155914 /nfs/dbraw/zinc/15/59/14/143155914.db2.gz YMRMNGYEBHTKFT-SJORKVTESA-N 2 1 335.492 1.765 20 0 EDADMP C[C@H]1C[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000346360760 143196481 /nfs/dbraw/zinc/19/64/81/143196481.db2.gz BUNWMCMILJZZNV-QFBILLFUSA-N 2 1 344.503 1.647 20 0 EDADMP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000346360760 143196482 /nfs/dbraw/zinc/19/64/82/143196482.db2.gz BUNWMCMILJZZNV-QFBILLFUSA-N 2 1 344.503 1.647 20 0 EDADMP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000346360760 143196483 /nfs/dbraw/zinc/19/64/83/143196483.db2.gz BUNWMCMILJZZNV-QFBILLFUSA-N 2 1 344.503 1.647 20 0 EDADMP COc1c(O)cccc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346676772 143230362 /nfs/dbraw/zinc/23/03/62/143230362.db2.gz KJQANIGPQIYNPE-GDBMZVCRSA-N 2 1 347.459 1.481 20 0 EDADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000347007877 143270562 /nfs/dbraw/zinc/27/05/62/143270562.db2.gz DPZGEZBTTVLXEE-INIZCTEOSA-N 2 1 341.459 1.672 20 0 EDADMP Cc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc(C)c1OC(F)F ZINC000347036809 143274677 /nfs/dbraw/zinc/27/46/77/143274677.db2.gz HIFPJKANJBRLHL-UHFFFAOYSA-N 2 1 341.402 1.768 20 0 EDADMP Cc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc(C)c1OC(F)F ZINC000347036809 143274678 /nfs/dbraw/zinc/27/46/78/143274678.db2.gz HIFPJKANJBRLHL-UHFFFAOYSA-N 2 1 341.402 1.768 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000347040462 143275288 /nfs/dbraw/zinc/27/52/88/143275288.db2.gz KMHMCJZTGCPTAP-INIZCTEOSA-N 2 1 327.432 1.159 20 0 EDADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000347179183 143291545 /nfs/dbraw/zinc/29/15/45/143291545.db2.gz SYFAUDWLZZESHZ-KRWDZBQOSA-N 2 1 344.459 1.289 20 0 EDADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000347219628 143296482 /nfs/dbraw/zinc/29/64/82/143296482.db2.gz INLVLCMDJRDVNY-PKOBYXMFSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000347219628 143296483 /nfs/dbraw/zinc/29/64/83/143296483.db2.gz INLVLCMDJRDVNY-PKOBYXMFSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000347219628 143296484 /nfs/dbraw/zinc/29/64/84/143296484.db2.gz INLVLCMDJRDVNY-PKOBYXMFSA-N 2 1 345.487 1.566 20 0 EDADMP CC(C)c1ncc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000347233610 143298083 /nfs/dbraw/zinc/29/80/83/143298083.db2.gz ZFHBNBIMSQTBHB-CQSZACIVSA-N 2 1 336.505 1.910 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347695670 143350825 /nfs/dbraw/zinc/35/08/25/143350825.db2.gz CJCRYZPAOGNMFD-FGTMMUONSA-N 2 1 339.524 1.829 20 0 EDADMP CC[N@H+]1CCCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000347728466 143355246 /nfs/dbraw/zinc/35/52/46/143355246.db2.gz UOUVNWBCVFSLRA-UHFFFAOYSA-N 2 1 331.464 1.001 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[C@H](C)[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000347766556 143360415 /nfs/dbraw/zinc/36/04/15/143360415.db2.gz CAIYNQNBPVEBIA-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC1 ZINC000369805169 155184013 /nfs/dbraw/zinc/18/40/13/155184013.db2.gz KIBMCSHNOUJQEP-GOSISDBHSA-N 2 1 333.451 1.997 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC1 ZINC000369805169 155184017 /nfs/dbraw/zinc/18/40/17/155184017.db2.gz KIBMCSHNOUJQEP-GOSISDBHSA-N 2 1 333.451 1.997 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000417670620 286060706 /nfs/dbraw/zinc/06/07/06/286060706.db2.gz OMXLUVSPYBBFMB-XHSDSOJGSA-N 2 1 326.485 1.175 20 0 EDADMP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000369893185 155220853 /nfs/dbraw/zinc/22/08/53/155220853.db2.gz OUCDUBRPJZFVCH-ARFHVFGLSA-N 2 1 333.480 1.960 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000352824558 149182668 /nfs/dbraw/zinc/18/26/68/149182668.db2.gz GUACGBOYYZRGGF-DWIQEWEKSA-N 2 1 343.515 1.942 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000352824558 149182671 /nfs/dbraw/zinc/18/26/71/149182671.db2.gz GUACGBOYYZRGGF-DWIQEWEKSA-N 2 1 343.515 1.942 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000352824558 149182673 /nfs/dbraw/zinc/18/26/73/149182673.db2.gz GUACGBOYYZRGGF-DWIQEWEKSA-N 2 1 343.515 1.942 20 0 EDADMP CSC[C@H](O)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352887238 149204038 /nfs/dbraw/zinc/20/40/38/149204038.db2.gz RWGIPLCIAOZUEU-RBUKOAKNSA-N 2 1 349.544 1.602 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000369915640 155230532 /nfs/dbraw/zinc/23/05/32/155230532.db2.gz HUWDENOWZRBNIG-QRQLOZEOSA-N 2 1 345.487 1.686 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000369915640 155230536 /nfs/dbraw/zinc/23/05/36/155230536.db2.gz HUWDENOWZRBNIG-QRQLOZEOSA-N 2 1 345.487 1.686 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000369915640 155230539 /nfs/dbraw/zinc/23/05/39/155230539.db2.gz HUWDENOWZRBNIG-QRQLOZEOSA-N 2 1 345.487 1.686 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000369915640 155230547 /nfs/dbraw/zinc/23/05/47/155230547.db2.gz HUWDENOWZRBNIG-QRQLOZEOSA-N 2 1 345.487 1.686 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000417048380 304366402 /nfs/dbraw/zinc/36/64/02/304366402.db2.gz WWGIIWGGNIJIAJ-OWCLPIDISA-N 2 1 333.480 1.232 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000357670673 151109634 /nfs/dbraw/zinc/10/96/34/151109634.db2.gz WMTHYSYQAXYLAL-ULQDDVLXSA-N 2 1 342.528 1.905 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000357877172 151180923 /nfs/dbraw/zinc/18/09/23/151180923.db2.gz UGXGHPPEGXUBEK-RYQLBKOJSA-N 2 1 333.476 1.823 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000357877172 151180925 /nfs/dbraw/zinc/18/09/25/151180925.db2.gz UGXGHPPEGXUBEK-RYQLBKOJSA-N 2 1 333.476 1.823 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCn2cnnc2C2CC2)[C@@H](C)C1 ZINC000358049340 151247107 /nfs/dbraw/zinc/24/71/07/151247107.db2.gz RCMWQIWPOUYQQJ-RDJZCZTQSA-N 2 1 335.496 1.882 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000358050265 151247785 /nfs/dbraw/zinc/24/77/85/151247785.db2.gz PYCGRBJDVMPCET-MJGOQNOKSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000358050265 151247786 /nfs/dbraw/zinc/24/77/86/151247786.db2.gz PYCGRBJDVMPCET-MJGOQNOKSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000358050265 151247787 /nfs/dbraw/zinc/24/77/87/151247787.db2.gz PYCGRBJDVMPCET-MJGOQNOKSA-N 2 1 331.460 1.081 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000358341476 151342729 /nfs/dbraw/zinc/34/27/29/151342729.db2.gz NWOQVWRJUQEASD-CHWSQXEVSA-N 2 1 331.507 1.298 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCCC[C@@H]2C)C1 ZINC000358409823 151365951 /nfs/dbraw/zinc/36/59/51/151365951.db2.gz ITQFKXYNOZQUDU-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCCC[C@@H]2C)C1 ZINC000358409823 151365953 /nfs/dbraw/zinc/36/59/53/151365953.db2.gz ITQFKXYNOZQUDU-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCCC[C@@H]2C)C1 ZINC000358409823 151365955 /nfs/dbraw/zinc/36/59/55/151365955.db2.gz ITQFKXYNOZQUDU-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000360893887 152243726 /nfs/dbraw/zinc/24/37/26/152243726.db2.gz PIURCPBYQKRKKO-JKSUJKDBSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000360893887 152243728 /nfs/dbraw/zinc/24/37/28/152243728.db2.gz PIURCPBYQKRKKO-JKSUJKDBSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000360893887 152243732 /nfs/dbraw/zinc/24/37/32/152243732.db2.gz PIURCPBYQKRKKO-JKSUJKDBSA-N 2 1 342.528 1.593 20 0 EDADMP CN(C)c1nc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc[nH+]1 ZINC000361006873 152276709 /nfs/dbraw/zinc/27/67/09/152276709.db2.gz MPIHLNNVELWYIS-INIZCTEOSA-N 2 1 326.448 1.896 20 0 EDADMP CN(C)c1nc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc[nH+]1 ZINC000361006873 152276712 /nfs/dbraw/zinc/27/67/12/152276712.db2.gz MPIHLNNVELWYIS-INIZCTEOSA-N 2 1 326.448 1.896 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000361264646 152348242 /nfs/dbraw/zinc/34/82/42/152348242.db2.gz JJSYXJRMIPNLFA-KBPBESRZSA-N 2 1 342.447 1.549 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000361393007 152380930 /nfs/dbraw/zinc/38/09/30/152380930.db2.gz QJVJHHVFVOALSD-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@H](c1ccccc1)N1CCN(C(=O)C[N@H+]2CC[C@H](O)C2(C)C)CC1 ZINC000361408446 152384884 /nfs/dbraw/zinc/38/48/84/152384884.db2.gz NQGJUSQPNGTTRF-AEFFLSMTSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2(C)C)CC1 ZINC000361408446 152384886 /nfs/dbraw/zinc/38/48/86/152384886.db2.gz NQGJUSQPNGTTRF-AEFFLSMTSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCC[NH+]1CCSCC1 ZINC000361433187 152394384 /nfs/dbraw/zinc/39/43/84/152394384.db2.gz BAAJURUAPKMYPL-OAHLLOKOSA-N 2 1 328.526 1.599 20 0 EDADMP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000361435132 152395050 /nfs/dbraw/zinc/39/50/50/152395050.db2.gz JHOODTWPMBPEBF-DAYGRLMNSA-N 2 1 342.480 1.122 20 0 EDADMP CCn1ccnc1CN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000370165294 155358727 /nfs/dbraw/zinc/35/87/27/155358727.db2.gz VCDCRMIXVSAPCG-INIZCTEOSA-N 2 1 347.507 1.714 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)nc(C)[nH+]1 ZINC000363873502 153082638 /nfs/dbraw/zinc/08/26/38/153082638.db2.gz GARMZVYRLZRJLK-KRWDZBQOSA-N 2 1 345.491 1.910 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H]1c1ccc(F)cc1 ZINC000364099819 153145092 /nfs/dbraw/zinc/14/50/92/153145092.db2.gz ITOUCZFPMBBXNW-DOTOQJQBSA-N 2 1 343.406 1.370 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cn2)CC1 ZINC000364407864 153229315 /nfs/dbraw/zinc/22/93/15/153229315.db2.gz WUGCQXYYTWVZON-GVDBMIGSSA-N 2 1 345.491 1.522 20 0 EDADMP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000364818518 153342370 /nfs/dbraw/zinc/34/23/70/153342370.db2.gz ZIQNBPWKDYLFPU-NCXUSEDFSA-N 2 1 349.519 1.330 20 0 EDADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CCC[C@H]3C[NH+](C)CC[C@H]31)C2 ZINC000364945383 153379679 /nfs/dbraw/zinc/37/96/79/153379679.db2.gz RLKIUSPAJFCADL-GUMUBFQMSA-N 2 1 334.508 1.985 20 0 EDADMP C[NH+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CCC[C@H]3C[N@H+](C)CC[C@H]31)C2 ZINC000364945383 153379683 /nfs/dbraw/zinc/37/96/83/153379683.db2.gz RLKIUSPAJFCADL-GUMUBFQMSA-N 2 1 334.508 1.985 20 0 EDADMP C[NH+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CCC[C@H]3C[N@@H+](C)CC[C@H]31)C2 ZINC000364945383 153379687 /nfs/dbraw/zinc/37/96/87/153379687.db2.gz RLKIUSPAJFCADL-GUMUBFQMSA-N 2 1 334.508 1.985 20 0 EDADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CCC[C@@H]3C[NH+](C)CC[C@H]31)C2 ZINC000364945384 153379912 /nfs/dbraw/zinc/37/99/12/153379912.db2.gz RLKIUSPAJFCADL-JRACIQGZSA-N 2 1 334.508 1.985 20 0 EDADMP C[NH+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CCC[C@@H]3C[N@H+](C)CC[C@H]31)C2 ZINC000364945384 153379915 /nfs/dbraw/zinc/37/99/15/153379915.db2.gz RLKIUSPAJFCADL-JRACIQGZSA-N 2 1 334.508 1.985 20 0 EDADMP C[NH+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CCC[C@@H]3C[N@@H+](C)CC[C@H]31)C2 ZINC000364945384 153379919 /nfs/dbraw/zinc/37/99/19/153379919.db2.gz RLKIUSPAJFCADL-JRACIQGZSA-N 2 1 334.508 1.985 20 0 EDADMP CNC(=O)c1ccn([C@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000369577039 155095342 /nfs/dbraw/zinc/09/53/42/155095342.db2.gz LUEIPTWAUSZWGS-INIZCTEOSA-N 2 1 344.463 1.865 20 0 EDADMP CNC(=O)c1ccn([C@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000369577039 155095345 /nfs/dbraw/zinc/09/53/45/155095345.db2.gz LUEIPTWAUSZWGS-INIZCTEOSA-N 2 1 344.463 1.865 20 0 EDADMP C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369610885 155109253 /nfs/dbraw/zinc/10/92/53/155109253.db2.gz FIAPJZYUMATMNF-ZWKOTPCHSA-N 2 1 329.444 1.955 20 0 EDADMP C[N@@H+](C[C@@H](O)COCc1ccccc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369610885 155109259 /nfs/dbraw/zinc/10/92/59/155109259.db2.gz FIAPJZYUMATMNF-ZWKOTPCHSA-N 2 1 329.444 1.955 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000183084749 292335193 /nfs/dbraw/zinc/33/51/93/292335193.db2.gz BCORLUTYPXCFFC-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000183084749 292335194 /nfs/dbraw/zinc/33/51/94/292335194.db2.gz BCORLUTYPXCFFC-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000183084749 292335197 /nfs/dbraw/zinc/33/51/97/292335197.db2.gz BCORLUTYPXCFFC-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CN2CCN(CC[NH+]3CCC(C)CC3)CC2)C1 ZINC000372043087 156223340 /nfs/dbraw/zinc/22/33/40/156223340.db2.gz STVQOQNMNLCISM-LJQANCHMSA-N 2 1 338.540 1.057 20 0 EDADMP CC[N@H+]1CCO[C@@H](CN2CCN(CC[NH+]3CCC(C)CC3)CC2)C1 ZINC000372043087 156223348 /nfs/dbraw/zinc/22/33/48/156223348.db2.gz STVQOQNMNLCISM-LJQANCHMSA-N 2 1 338.540 1.057 20 0 EDADMP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000372065808 156231319 /nfs/dbraw/zinc/23/13/19/156231319.db2.gz IIGDKUDKIRORSB-KFKAGJAMSA-N 2 1 337.508 1.724 20 0 EDADMP CC[N@@H+](CC(=O)NCCN1CC[NH+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000372150589 156242818 /nfs/dbraw/zinc/24/28/18/156242818.db2.gz VSNFMIWDDBARAA-LJQANCHMSA-N 2 1 344.503 1.576 20 0 EDADMP CC[NH+](CC(=O)NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000372150589 156242822 /nfs/dbraw/zinc/24/28/22/156242822.db2.gz VSNFMIWDDBARAA-LJQANCHMSA-N 2 1 344.503 1.576 20 0 EDADMP CC[NH+](CC(=O)NCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000372150589 156242826 /nfs/dbraw/zinc/24/28/26/156242826.db2.gz VSNFMIWDDBARAA-LJQANCHMSA-N 2 1 344.503 1.576 20 0 EDADMP CC[N@@H+]1CCO[C@H](CN2CCN(Cc3cnoc3C3CC3)CC2)C1 ZINC000372256935 156290552 /nfs/dbraw/zinc/29/05/52/156290552.db2.gz WMPTVGAKFZLQSX-KRWDZBQOSA-N 2 1 334.464 1.390 20 0 EDADMP CC[N@H+]1CCO[C@H](CN2CCN(Cc3cnoc3C3CC3)CC2)C1 ZINC000372256935 156290555 /nfs/dbraw/zinc/29/05/55/156290555.db2.gz WMPTVGAKFZLQSX-KRWDZBQOSA-N 2 1 334.464 1.390 20 0 EDADMP CCCN1CC[NH+](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC000377933427 158032380 /nfs/dbraw/zinc/03/23/80/158032380.db2.gz RFCAGABQJGJCBD-UHFFFAOYSA-N 2 1 348.535 1.633 20 0 EDADMP COCC[C@]1(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC[NH2+]C1 ZINC000378203755 158107749 /nfs/dbraw/zinc/10/77/49/158107749.db2.gz RIOPEEIMFVDHJE-FUHWJXTLSA-N 2 1 325.497 1.773 20 0 EDADMP COC1(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000378614289 158219469 /nfs/dbraw/zinc/21/94/69/158219469.db2.gz FGKVQBDQPLUERK-UHFFFAOYSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@@H+](C[C@H](C)O)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000352187862 162037903 /nfs/dbraw/zinc/03/79/03/162037903.db2.gz VHOGQTXIDUQAJA-BQFCYCMXSA-N 2 1 333.476 1.468 20 0 EDADMP CC[NH+](C[C@H](C)O)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352187862 162037906 /nfs/dbraw/zinc/03/79/06/162037906.db2.gz VHOGQTXIDUQAJA-BQFCYCMXSA-N 2 1 333.476 1.468 20 0 EDADMP CC[NH+](C[C@H](C)O)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352187862 162037910 /nfs/dbraw/zinc/03/79/10/162037910.db2.gz VHOGQTXIDUQAJA-BQFCYCMXSA-N 2 1 333.476 1.468 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NCC3CC[NH2+]CC3)CC2)cs1 ZINC000120506573 287361904 /nfs/dbraw/zinc/36/19/04/287361904.db2.gz ISSPFNFCAARGMB-UHFFFAOYSA-N 2 1 336.505 1.779 20 0 EDADMP COC1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000165897900 226139613 /nfs/dbraw/zinc/13/96/13/226139613.db2.gz QAXJDJOSMVNJEB-GOSISDBHSA-N 2 1 345.487 1.926 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000418432602 304495070 /nfs/dbraw/zinc/49/50/70/304495070.db2.gz SOJRPQUTGZLHAB-BPQIPLTHSA-N 2 1 346.475 1.439 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000273281677 268013866 /nfs/dbraw/zinc/01/38/66/268013866.db2.gz WUVBOCCFQJDOSB-UHFFFAOYSA-N 2 1 332.448 1.857 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000274493672 268150984 /nfs/dbraw/zinc/15/09/84/268150984.db2.gz OJRXAKWNVAGWLN-RTBURBONSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000274493672 268150986 /nfs/dbraw/zinc/15/09/86/268150986.db2.gz OJRXAKWNVAGWLN-RTBURBONSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000274493672 268150989 /nfs/dbraw/zinc/15/09/89/268150989.db2.gz OJRXAKWNVAGWLN-RTBURBONSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000274493672 268150991 /nfs/dbraw/zinc/15/09/91/268150991.db2.gz OJRXAKWNVAGWLN-RTBURBONSA-N 2 1 345.487 1.876 20 0 EDADMP CCOC(=O)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274817310 268213315 /nfs/dbraw/zinc/21/33/15/268213315.db2.gz JASQXGGCSIFCGY-KVSKMBFKSA-N 2 1 334.460 1.801 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000274919045 268238508 /nfs/dbraw/zinc/23/85/08/268238508.db2.gz JBIUNGRTCZVIEQ-CRAIPNDOSA-N 2 1 347.503 1.689 20 0 EDADMP C[N@@H+](CCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000278916850 273271328 /nfs/dbraw/zinc/27/13/28/273271328.db2.gz COWXROQFODJBDQ-INIZCTEOSA-N 2 1 341.459 1.739 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2cncc(F)c2)cc[nH+]1 ZINC000354927409 273825820 /nfs/dbraw/zinc/82/58/20/273825820.db2.gz IIBFXTIDKLBOHD-GJZGRUSLSA-N 2 1 348.401 1.783 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000370595368 273893262 /nfs/dbraw/zinc/89/32/62/273893262.db2.gz ZXOBQJNCGNDKGA-HKUYNNGSSA-N 2 1 331.460 1.518 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000284342680 274167614 /nfs/dbraw/zinc/16/76/14/274167614.db2.gz BHAAQYQZKDELRW-INIZCTEOSA-N 2 1 348.491 1.081 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000284342680 274167617 /nfs/dbraw/zinc/16/76/17/274167617.db2.gz BHAAQYQZKDELRW-INIZCTEOSA-N 2 1 348.491 1.081 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000284342680 274167620 /nfs/dbraw/zinc/16/76/20/274167620.db2.gz BHAAQYQZKDELRW-INIZCTEOSA-N 2 1 348.491 1.081 20 0 EDADMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000262092250 275059075 /nfs/dbraw/zinc/05/90/75/275059075.db2.gz HEQBRNRGUFQUCR-HKUYNNGSSA-N 2 1 340.471 1.895 20 0 EDADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351858937 276136793 /nfs/dbraw/zinc/13/67/93/276136793.db2.gz FAHNMSLXTAUQBP-ARFHVFGLSA-N 2 1 347.459 1.344 20 0 EDADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351858937 276136794 /nfs/dbraw/zinc/13/67/94/276136794.db2.gz FAHNMSLXTAUQBP-ARFHVFGLSA-N 2 1 347.459 1.344 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)CC1 ZINC000362483594 276150047 /nfs/dbraw/zinc/15/00/47/276150047.db2.gz IXOSETJQHYLDFS-JKSUJKDBSA-N 2 1 325.522 1.947 20 0 EDADMP CCC[C@H](O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450647574 276287512 /nfs/dbraw/zinc/28/75/12/276287512.db2.gz IWHUSQRMDJKBGL-BBWFWOEESA-N 2 1 328.497 1.738 20 0 EDADMP CCC[C@H](O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450647574 276287514 /nfs/dbraw/zinc/28/75/14/276287514.db2.gz IWHUSQRMDJKBGL-BBWFWOEESA-N 2 1 328.497 1.738 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000188697628 276363242 /nfs/dbraw/zinc/36/32/42/276363242.db2.gz HHMBTYFEHGNDLY-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188697628 276363243 /nfs/dbraw/zinc/36/32/43/276363243.db2.gz HHMBTYFEHGNDLY-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188697628 276363246 /nfs/dbraw/zinc/36/32/46/276363246.db2.gz HHMBTYFEHGNDLY-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP C[NH+](C)C1CN(c2nc3ccccc3nc2N2CC[NH+](C)CC2)C1 ZINC000347407063 276755577 /nfs/dbraw/zinc/75/55/77/276755577.db2.gz KLYBSOIJDMDBLT-UHFFFAOYSA-N 2 1 326.448 1.132 20 0 EDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCn3cnc4ccccc4c3=O)CC[C@@H]21 ZINC000139870472 277068151 /nfs/dbraw/zinc/06/81/51/277068151.db2.gz LTTWBCPNLZNMGE-QAPCUYQASA-N 2 1 326.444 1.813 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCn3cnc4ccccc4c3=O)CC[C@@H]21 ZINC000139870472 277068152 /nfs/dbraw/zinc/06/81/52/277068152.db2.gz LTTWBCPNLZNMGE-QAPCUYQASA-N 2 1 326.444 1.813 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCn3cnc4ccccc4c3=O)CC[C@@H]21 ZINC000139870472 277068154 /nfs/dbraw/zinc/06/81/54/277068154.db2.gz LTTWBCPNLZNMGE-QAPCUYQASA-N 2 1 326.444 1.813 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCn3cnc4ccccc4c3=O)CC[C@@H]21 ZINC000139870472 277068156 /nfs/dbraw/zinc/06/81/56/277068156.db2.gz LTTWBCPNLZNMGE-QAPCUYQASA-N 2 1 326.444 1.813 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)C2)C1 ZINC000418581694 277070837 /nfs/dbraw/zinc/07/08/37/277070837.db2.gz MISSVZNKHVHLBH-LJQANCHMSA-N 2 1 328.460 1.917 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+]([C@@H]3Cc4ccccc4[C@@H]3O)C2)CC1 ZINC000371472504 277107138 /nfs/dbraw/zinc/10/71/38/277107138.db2.gz DZBXUGKBCODHTA-DBVUQKKJSA-N 2 1 329.488 1.604 20 0 EDADMP CN1C[C@H](C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)OC1=O ZINC000496766395 277202434 /nfs/dbraw/zinc/20/24/34/277202434.db2.gz KHMMJEAEQCRMDD-OKZBNKHCSA-N 2 1 329.444 1.891 20 0 EDADMP CN1C[C@H](C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)OC1=O ZINC000496766395 277202436 /nfs/dbraw/zinc/20/24/36/277202436.db2.gz KHMMJEAEQCRMDD-OKZBNKHCSA-N 2 1 329.444 1.891 20 0 EDADMP CN1C[C@H](C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)OC1=O ZINC000496766395 277202437 /nfs/dbraw/zinc/20/24/37/277202437.db2.gz KHMMJEAEQCRMDD-OKZBNKHCSA-N 2 1 329.444 1.891 20 0 EDADMP CN1C[C@H](C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)OC1=O ZINC000496766395 277202439 /nfs/dbraw/zinc/20/24/39/277202439.db2.gz KHMMJEAEQCRMDD-OKZBNKHCSA-N 2 1 329.444 1.891 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000106524865 277385195 /nfs/dbraw/zinc/38/51/95/277385195.db2.gz NGICSZJXBXQZPU-MRXNPFEDSA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000333492971 277390750 /nfs/dbraw/zinc/39/07/50/277390750.db2.gz CODBXVFXLLHJHU-JKSUJKDBSA-N 2 1 326.485 1.114 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000357234608 277471090 /nfs/dbraw/zinc/47/10/90/277471090.db2.gz BWSIHKHOIKFMOC-FUHWJXTLSA-N 2 1 325.412 1.698 20 0 EDADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261970312 277659920 /nfs/dbraw/zinc/65/99/20/277659920.db2.gz QMBCDJONWSRXGE-DISONHOPSA-N 2 1 337.508 1.817 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC(C[NH+](C)C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000351621482 277860263 /nfs/dbraw/zinc/86/02/63/277860263.db2.gz YUKJGQUBRFAKPG-JFIYKMOQSA-N 2 1 339.524 1.920 20 0 EDADMP C[C@H](CN1CCN(C)CC1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422860204 278192008 /nfs/dbraw/zinc/19/20/08/278192008.db2.gz MAUOMMOJEUJRFQ-KPFFTGBYSA-N 2 1 344.503 1.468 20 0 EDADMP C[C@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000269250882 278358059 /nfs/dbraw/zinc/35/80/59/278358059.db2.gz GWOUXMAZOKZAEI-PKOBYXMFSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000247526785 279029885 /nfs/dbraw/zinc/02/98/85/279029885.db2.gz OPGSNXSPSIZBEM-HZPDHXFCSA-N 2 1 326.485 1.005 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496483261 279040376 /nfs/dbraw/zinc/04/03/76/279040376.db2.gz XYFBWCJADKNUHS-RHSMWYFYSA-N 2 1 329.485 1.536 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496483261 279040377 /nfs/dbraw/zinc/04/03/77/279040377.db2.gz XYFBWCJADKNUHS-RHSMWYFYSA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496483261 279040378 /nfs/dbraw/zinc/04/03/78/279040378.db2.gz XYFBWCJADKNUHS-RHSMWYFYSA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496483261 279040379 /nfs/dbraw/zinc/04/03/79/279040379.db2.gz XYFBWCJADKNUHS-RHSMWYFYSA-N 2 1 329.485 1.536 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000355454182 279150790 /nfs/dbraw/zinc/15/07/90/279150790.db2.gz VOOBLCUZYIIWES-DLBZAZTESA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000355454182 279150791 /nfs/dbraw/zinc/15/07/91/279150791.db2.gz VOOBLCUZYIIWES-DLBZAZTESA-N 2 1 340.512 1.469 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1)CC(C)C ZINC000350244937 279162725 /nfs/dbraw/zinc/16/27/25/279162725.db2.gz HPOLTTBZOKIAKH-SJORKVTESA-N 2 1 342.528 1.451 20 0 EDADMP CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000346330412 279187903 /nfs/dbraw/zinc/18/79/03/279187903.db2.gz HDNUNFBVMAMZIJ-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000346330412 279187906 /nfs/dbraw/zinc/18/79/06/279187906.db2.gz HDNUNFBVMAMZIJ-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000174416956 279223659 /nfs/dbraw/zinc/22/36/59/279223659.db2.gz FFVLAJMVGQPBKL-ZWKOTPCHSA-N 2 1 346.519 1.649 20 0 EDADMP C[C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000174416956 279223660 /nfs/dbraw/zinc/22/36/60/279223660.db2.gz FFVLAJMVGQPBKL-ZWKOTPCHSA-N 2 1 346.519 1.649 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C ZINC000347072605 279268980 /nfs/dbraw/zinc/26/89/80/279268980.db2.gz YZZINJXCTSPPCV-PMPSAXMXSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000347072605 279268982 /nfs/dbraw/zinc/26/89/82/279268982.db2.gz YZZINJXCTSPPCV-PMPSAXMXSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000347072605 279268985 /nfs/dbraw/zinc/26/89/85/279268985.db2.gz YZZINJXCTSPPCV-PMPSAXMXSA-N 2 1 326.485 1.221 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccnc1OC ZINC000263815304 279302972 /nfs/dbraw/zinc/30/29/72/279302972.db2.gz PBMIFBLBGLZKEO-OAHLLOKOSA-N 2 1 334.464 1.578 20 0 EDADMP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC000347190792 279359091 /nfs/dbraw/zinc/35/90/91/279359091.db2.gz HYFNZMSYXZLLHW-SJORKVTESA-N 2 1 345.487 1.348 20 0 EDADMP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC000347190792 279359095 /nfs/dbraw/zinc/35/90/95/279359095.db2.gz HYFNZMSYXZLLHW-SJORKVTESA-N 2 1 345.487 1.348 20 0 EDADMP C[C@H](CO)[NH+]1CCCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000347190792 279359096 /nfs/dbraw/zinc/35/90/96/279359096.db2.gz HYFNZMSYXZLLHW-SJORKVTESA-N 2 1 345.487 1.348 20 0 EDADMP C[C@H](CO)[NH+]1CCCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000347190792 279359098 /nfs/dbraw/zinc/35/90/98/279359098.db2.gz HYFNZMSYXZLLHW-SJORKVTESA-N 2 1 345.487 1.348 20 0 EDADMP OC(C[NH+]1CC[C@@]2(C1)CCCOC2)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375274356 280398399 /nfs/dbraw/zinc/39/83/99/280398399.db2.gz ACEZKNNEWMZDSS-RTBURBONSA-N 2 1 338.492 1.352 20 0 EDADMP O=C(CC[C@H]1CCC[NH2+]1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000291701388 289155572 /nfs/dbraw/zinc/15/55/72/289155572.db2.gz AWLMOYVLVRQKOO-QZTJIDSGSA-N 2 1 331.460 1.396 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C1CC1 ZINC000104856361 289285803 /nfs/dbraw/zinc/28/58/03/289285803.db2.gz NRTXDYUAHBXORU-OALUTQOASA-N 2 1 344.503 1.432 20 0 EDADMP COc1cc2[nH+]c(N3CC[C@@]4(CC[N@H+](C)C4)C3)nc(N)c2cc1OC ZINC000292343216 289321312 /nfs/dbraw/zinc/32/13/12/289321312.db2.gz QGIVJVQQYOZSPC-GOSISDBHSA-N 2 1 343.431 1.761 20 0 EDADMP COc1cc2[nH+]c(N3CC[C@@]4(CC[N@@H+](C)C4)C3)nc(N)c2cc1OC ZINC000292343216 289321314 /nfs/dbraw/zinc/32/13/14/289321314.db2.gz QGIVJVQQYOZSPC-GOSISDBHSA-N 2 1 343.431 1.761 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000351220226 289655118 /nfs/dbraw/zinc/65/51/18/289655118.db2.gz VQVFBHSOHQCGIE-SJORKVTESA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C[C@H]1C ZINC000251547277 290097591 /nfs/dbraw/zinc/09/75/91/290097591.db2.gz GZPJYAYSPAVXMV-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262131253 290391011 /nfs/dbraw/zinc/39/10/11/290391011.db2.gz NZLUSGCYUMZJKX-ZWKOTPCHSA-N 3 1 336.524 1.395 20 0 EDADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262131253 290391012 /nfs/dbraw/zinc/39/10/12/290391012.db2.gz NZLUSGCYUMZJKX-ZWKOTPCHSA-N 3 1 336.524 1.395 20 0 EDADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262131253 290391013 /nfs/dbraw/zinc/39/10/13/290391013.db2.gz NZLUSGCYUMZJKX-ZWKOTPCHSA-N 3 1 336.524 1.395 20 0 EDADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262131253 290391014 /nfs/dbraw/zinc/39/10/14/290391014.db2.gz NZLUSGCYUMZJKX-ZWKOTPCHSA-N 2 1 336.524 1.395 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262131253 290391015 /nfs/dbraw/zinc/39/10/15/290391015.db2.gz NZLUSGCYUMZJKX-ZWKOTPCHSA-N 2 1 336.524 1.395 20 0 EDADMP CC[NH+]1CCC(N2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000422010974 447306102 /nfs/dbraw/zinc/30/61/02/447306102.db2.gz CKWAOASHXBYZSQ-WMZOPIPTSA-N 2 1 336.524 1.203 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)CC1 ZINC000422010974 447306107 /nfs/dbraw/zinc/30/61/07/447306107.db2.gz CKWAOASHXBYZSQ-WMZOPIPTSA-N 2 1 336.524 1.203 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)CC1 ZINC000422010974 447306114 /nfs/dbraw/zinc/30/61/14/447306114.db2.gz CKWAOASHXBYZSQ-WMZOPIPTSA-N 2 1 336.524 1.203 20 0 EDADMP CCN1CCC([NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000422010974 447306120 /nfs/dbraw/zinc/30/61/20/447306120.db2.gz CKWAOASHXBYZSQ-WMZOPIPTSA-N 2 1 336.524 1.203 20 0 EDADMP CCN1CCC([NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000422010974 447306126 /nfs/dbraw/zinc/30/61/26/447306126.db2.gz CKWAOASHXBYZSQ-WMZOPIPTSA-N 2 1 336.524 1.203 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000418697294 304529523 /nfs/dbraw/zinc/52/95/23/304529523.db2.gz NDMIDKJXGYIQIM-CVEARBPZSA-N 2 1 326.485 1.400 20 0 EDADMP C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[NH+]1CCSCC1 ZINC000152086671 298040583 /nfs/dbraw/zinc/04/05/83/298040583.db2.gz CIVVZYDORKLBPL-CVEARBPZSA-N 2 1 325.522 1.901 20 0 EDADMP C[NH2+]CCC1CC[NH+](CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 ZINC000420313511 304749553 /nfs/dbraw/zinc/74/95/53/304749553.db2.gz UENYROPINQETSI-UHFFFAOYSA-N 2 1 335.448 1.922 20 0 EDADMP C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420390897 304754512 /nfs/dbraw/zinc/75/45/12/304754512.db2.gz ZYJPBSIBKUIKRW-WXHSDQCUSA-N 2 1 337.386 1.272 20 0 EDADMP Cc1cccc2c1[nH+]cc(C)c2N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000185344942 302067380 /nfs/dbraw/zinc/06/73/80/302067380.db2.gz QEHLZRKWHFAQBZ-INIZCTEOSA-N 2 1 329.444 1.981 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000458355994 447320711 /nfs/dbraw/zinc/32/07/11/447320711.db2.gz CWFUMDFUGNKKAH-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1[C@H](NC[C@H]2C[NH+](C)CCN2C)CCC[N@@H+]1Cc1ccccc1 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SHBWPXZHAOPQHE-QGZVFWFLSA-N 2 1 332.492 1.655 20 0 EDADMP CCN(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000295399222 303214326 /nfs/dbraw/zinc/21/43/26/303214326.db2.gz IIHVQBBIFNNRDU-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+](CCCO)C1)c1ccccc1 ZINC000295399222 303214327 /nfs/dbraw/zinc/21/43/27/303214327.db2.gz IIHVQBBIFNNRDU-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+](CCCO)C1)c1ccccc1 ZINC000295399222 303214329 /nfs/dbraw/zinc/21/43/29/303214329.db2.gz IIHVQBBIFNNRDU-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000295399222 303214330 /nfs/dbraw/zinc/21/43/30/303214330.db2.gz IIHVQBBIFNNRDU-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP C[NH+](Cc1ccccc1C[N@H+](C)C(C)(C)C(N)=O)C(C)(C)C(N)=O ZINC000295698139 303254195 /nfs/dbraw/zinc/25/41/95/303254195.db2.gz MEJQRBAYIPVPCM-UHFFFAOYSA-N 2 1 334.464 1.078 20 0 EDADMP Cc1ccc2nc(CNC(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)cn2c1 ZINC000297316239 303384991 /nfs/dbraw/zinc/38/49/91/303384991.db2.gz IPWHCPAXGUNQQX-OAHLLOKOSA-N 2 1 345.447 1.289 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664919450 453483961 /nfs/dbraw/zinc/48/39/61/453483961.db2.gz GGCSORQFPVMBPR-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP CCN(CCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)S(C)(=O)=O ZINC000422722199 304879299 /nfs/dbraw/zinc/87/92/99/304879299.db2.gz XDIDUASXMREZTO-DLBZAZTESA-N 2 1 339.505 1.741 20 0 EDADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423492560 304897439 /nfs/dbraw/zinc/89/74/39/304897439.db2.gz NQCADTRIKVVVCF-ZWKOTPCHSA-N 2 1 329.448 1.686 20 0 EDADMP COc1ccc(COC[C@@H](O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000429541884 305031641 /nfs/dbraw/zinc/03/16/41/305031641.db2.gz PPOZUTRLJGEUDS-ROUUACIJSA-N 2 1 336.476 1.989 20 0 EDADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000430104525 305045645 /nfs/dbraw/zinc/04/56/45/305045645.db2.gz UYNRUWNREFJTQI-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000430104525 305045646 /nfs/dbraw/zinc/04/56/46/305045646.db2.gz UYNRUWNREFJTQI-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000430104525 305045647 /nfs/dbraw/zinc/04/56/47/305045647.db2.gz UYNRUWNREFJTQI-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430581877 305056915 /nfs/dbraw/zinc/05/69/15/305056915.db2.gz IJSSMTRUHQVWMT-HOCLYGCPSA-N 2 1 332.448 1.462 20 0 EDADMP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430620239 305059549 /nfs/dbraw/zinc/05/95/49/305059549.db2.gz AUSZIVQPQMZQQF-HNNXBMFYSA-N 2 1 337.439 1.724 20 0 EDADMP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430620239 305059550 /nfs/dbraw/zinc/05/95/50/305059550.db2.gz AUSZIVQPQMZQQF-HNNXBMFYSA-N 2 1 337.439 1.724 20 0 EDADMP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430630823 305060193 /nfs/dbraw/zinc/06/01/93/305060193.db2.gz SQABJLUEKWLXKV-INIZCTEOSA-N 2 1 344.459 1.077 20 0 EDADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430630823 305060194 /nfs/dbraw/zinc/06/01/94/305060194.db2.gz SQABJLUEKWLXKV-INIZCTEOSA-N 2 1 344.459 1.077 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1)N1CC[NH2+]CC1 ZINC000430629735 305060262 /nfs/dbraw/zinc/06/02/62/305060262.db2.gz WWTIQCJVPQYKSG-CQSZACIVSA-N 2 1 344.484 1.940 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652886 305061445 /nfs/dbraw/zinc/06/14/45/305061445.db2.gz XXHDAEHXWBWVHF-KZNAEPCWSA-N 2 1 337.508 1.726 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000430876710 305066803 /nfs/dbraw/zinc/06/68/03/305066803.db2.gz GSBCQUYKXIRJLT-NUEKZKHPSA-N 2 1 344.459 1.450 20 0 EDADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC[C@H]1[NH3+] ZINC000430921253 305068137 /nfs/dbraw/zinc/06/81/37/305068137.db2.gz SDPXSPATECNVFU-QMTHXVAHSA-N 2 1 338.839 1.437 20 0 EDADMP CCC[N@H+](CC(=O)NCCN1CCc2ccccc21)C1CC[NH2+]CC1 ZINC000431066495 305074170 /nfs/dbraw/zinc/07/41/70/305074170.db2.gz NSZFBIHRIHRADZ-UHFFFAOYSA-N 2 1 344.503 1.629 20 0 EDADMP CCC[N@@H+](CC(=O)NCCN1CCc2ccccc21)C1CC[NH2+]CC1 ZINC000431066495 305074171 /nfs/dbraw/zinc/07/41/71/305074171.db2.gz NSZFBIHRIHRADZ-UHFFFAOYSA-N 2 1 344.503 1.629 20 0 EDADMP CCC[N@H+](CC(=O)NC(=O)NCc1ccccc1)C1CC[NH2+]CC1 ZINC000431081058 305074475 /nfs/dbraw/zinc/07/44/75/305074475.db2.gz OFFORPUZOFGFLP-UHFFFAOYSA-N 2 1 332.448 1.476 20 0 EDADMP CCC[N@@H+](CC(=O)NC(=O)NCc1ccccc1)C1CC[NH2+]CC1 ZINC000431081058 305074476 /nfs/dbraw/zinc/07/44/76/305074476.db2.gz OFFORPUZOFGFLP-UHFFFAOYSA-N 2 1 332.448 1.476 20 0 EDADMP CCOCC[N@H+]1CCN(Cc2nc(C(C)(C)[NH3+])no2)C[C@H]1CC ZINC000431094939 305074996 /nfs/dbraw/zinc/07/49/96/305074996.db2.gz CYDMHXZIUHOOKO-CYBMUJFWSA-N 2 1 325.457 1.196 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000431851511 305083837 /nfs/dbraw/zinc/08/38/37/305083837.db2.gz PHJHSLXZESOTFO-XYJFISCASA-N 2 1 333.476 1.593 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000433286092 305104961 /nfs/dbraw/zinc/10/49/61/305104961.db2.gz NADIICFTQUDXNT-HOTGVXAUSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000433286092 305104962 /nfs/dbraw/zinc/10/49/62/305104962.db2.gz NADIICFTQUDXNT-HOTGVXAUSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000433286092 305104963 /nfs/dbraw/zinc/10/49/63/305104963.db2.gz NADIICFTQUDXNT-HOTGVXAUSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000433388133 305107539 /nfs/dbraw/zinc/10/75/39/305107539.db2.gz LQFIWGNWVUTOEW-HOTGVXAUSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C)CC[C@@H]2C)CCCO1 ZINC000433459702 305109973 /nfs/dbraw/zinc/10/99/73/305109973.db2.gz YRBQMDVRVDKHRQ-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+](C)CC[C@@H]2C)CCCO1 ZINC000433459702 305109974 /nfs/dbraw/zinc/10/99/74/305109974.db2.gz YRBQMDVRVDKHRQ-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)CCCO1 ZINC000433459702 305109975 /nfs/dbraw/zinc/10/99/75/305109975.db2.gz YRBQMDVRVDKHRQ-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+](CCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C(C)C ZINC000435509954 305141531 /nfs/dbraw/zinc/14/15/31/305141531.db2.gz DVJXUWJNMVOMDB-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C(C)C ZINC000435509954 305141532 /nfs/dbraw/zinc/14/15/32/305141532.db2.gz DVJXUWJNMVOMDB-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000436287033 305155321 /nfs/dbraw/zinc/15/53/21/305155321.db2.gz 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CC(C)[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCCCC1 ZINC000444548780 305250207 /nfs/dbraw/zinc/25/02/07/305250207.db2.gz KQJVUQBIZRIIPJ-SJORKVTESA-N 2 1 339.524 1.801 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCCCC1 ZINC000444548780 305250208 /nfs/dbraw/zinc/25/02/08/305250208.db2.gz KQJVUQBIZRIIPJ-SJORKVTESA-N 2 1 339.524 1.801 20 0 EDADMP O[C@H](C[NH+]1CCC[C@@H]2COCC[C@H]21)C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000447316475 305278098 /nfs/dbraw/zinc/27/80/98/305278098.db2.gz YSXBVZSNVNAZOA-NNIGNNQHSA-N 2 1 338.492 1.349 20 0 EDADMP O[C@@H](C[NH+]1CCC[C@@H]2COCC[C@@H]21)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000447316475 305278099 /nfs/dbraw/zinc/27/80/99/305278099.db2.gz YSXBVZSNVNAZOA-NNIGNNQHSA-N 2 1 338.492 1.349 20 0 EDADMP O[C@@H](C[NH+]1CCC[C@@H]2COCC[C@@H]21)C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000447316475 305278100 /nfs/dbraw/zinc/27/81/00/305278100.db2.gz YSXBVZSNVNAZOA-NNIGNNQHSA-N 2 1 338.492 1.349 20 0 EDADMP CCC[C@]1(COC)CCC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000447390802 305279801 /nfs/dbraw/zinc/27/98/01/305279801.db2.gz HLZFGMQVKCXFMP-GOSISDBHSA-N 2 1 325.497 1.868 20 0 EDADMP [NH3+]C1CCC(OCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000449162497 305308451 /nfs/dbraw/zinc/30/84/51/305308451.db2.gz JGXWMZVJWFWNLR-HRSCSKTISA-N 2 1 335.492 1.748 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CC[C@@H]3CCCO3)C2)CC1 ZINC000451525292 305350896 /nfs/dbraw/zinc/35/08/96/305350896.db2.gz FXIPISOLTLETOW-OALUTQOASA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CC[C@@H]3CCCO3)C2)CC1 ZINC000451525292 305350897 /nfs/dbraw/zinc/35/08/97/305350897.db2.gz FXIPISOLTLETOW-OALUTQOASA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CC[C@@H]3CCCO3)C2)CC1 ZINC000451525292 305350898 /nfs/dbraw/zinc/35/08/98/305350898.db2.gz FXIPISOLTLETOW-OALUTQOASA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CC[C@@H]3CCCO3)C2)CC1 ZINC000451525292 305350899 /nfs/dbraw/zinc/35/08/99/305350899.db2.gz FXIPISOLTLETOW-OALUTQOASA-N 2 1 337.508 1.822 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000457515292 305489928 /nfs/dbraw/zinc/48/99/28/305489928.db2.gz WLVCLJHMFZKIFR-HOTGVXAUSA-N 2 1 333.480 1.209 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000458410227 447351081 /nfs/dbraw/zinc/35/10/81/447351081.db2.gz FLFHUSHFNHVDGJ-IAGOWNOFSA-N 2 1 340.512 1.397 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458410227 447351086 /nfs/dbraw/zinc/35/10/86/447351086.db2.gz FLFHUSHFNHVDGJ-IAGOWNOFSA-N 2 1 340.512 1.397 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000458410227 447351092 /nfs/dbraw/zinc/35/10/92/447351092.db2.gz FLFHUSHFNHVDGJ-IAGOWNOFSA-N 2 1 340.512 1.397 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000414928304 447360362 /nfs/dbraw/zinc/36/03/62/447360362.db2.gz MUFVXGUHKAUFMG-OAHLLOKOSA-N 2 1 330.432 1.041 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000414928304 447360367 /nfs/dbraw/zinc/36/03/67/447360367.db2.gz MUFVXGUHKAUFMG-OAHLLOKOSA-N 2 1 330.432 1.041 20 0 EDADMP O=C(NCC[NH+]1CCCCC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531680295 305964561 /nfs/dbraw/zinc/96/45/61/305964561.db2.gz BMDBONVEIHYIEX-IAGOWNOFSA-N 2 1 338.496 1.415 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)NCCNc2cc[nH+]cc2)[C@H]1c1ccccc1 ZINC000535434166 306013616 /nfs/dbraw/zinc/01/36/16/306013616.db2.gz CJSRTISICZRKQH-QZTJIDSGSA-N 2 1 339.443 1.660 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000548459670 306128466 /nfs/dbraw/zinc/12/84/66/306128466.db2.gz PSHUMSZHFBPOAP-PMPSAXMXSA-N 2 1 325.497 1.913 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccncn1 ZINC000548632775 306133297 /nfs/dbraw/zinc/13/32/97/306133297.db2.gz OIHDUWJCCSEQEU-UHFFFAOYSA-N 2 1 345.491 1.745 20 0 EDADMP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000552207079 306177581 /nfs/dbraw/zinc/17/75/81/306177581.db2.gz DMLWUPFBIZTUNP-AZUAARDMSA-N 2 1 343.471 1.224 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CCCOC)CC2)CC1 ZINC000553061347 306182382 /nfs/dbraw/zinc/18/23/82/306182382.db2.gz YWMHUOGEWZXABP-UHFFFAOYSA-N 2 1 325.497 1.678 20 0 EDADMP CC(C)[NH+](CCNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C)C(C)C ZINC000554217679 306189775 /nfs/dbraw/zinc/18/97/75/306189775.db2.gz DIXBTLQSNVJIDN-JKSUJKDBSA-N 2 1 328.501 1.202 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000557338913 306227500 /nfs/dbraw/zinc/22/75/00/306227500.db2.gz HRRGLPKEXGRKFZ-WTTBNOFXSA-N 2 1 348.495 1.457 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000557338913 306227501 /nfs/dbraw/zinc/22/75/01/306227501.db2.gz HRRGLPKEXGRKFZ-WTTBNOFXSA-N 2 1 348.495 1.457 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000414967603 447376902 /nfs/dbraw/zinc/37/69/02/447376902.db2.gz QFENJIXXDLHGKX-DOTOQJQBSA-N 2 1 344.459 1.287 20 0 EDADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414977560 447381769 /nfs/dbraw/zinc/38/17/69/447381769.db2.gz QHPVUMGSZDTKSC-UKRRQHHQSA-N 2 1 338.883 1.859 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000458541228 447405134 /nfs/dbraw/zinc/40/51/34/447405134.db2.gz SBCRASDUGVCQGX-IAGOWNOFSA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000458541228 447405140 /nfs/dbraw/zinc/40/51/40/447405140.db2.gz SBCRASDUGVCQGX-IAGOWNOFSA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000458541228 447405143 /nfs/dbraw/zinc/40/51/43/447405143.db2.gz SBCRASDUGVCQGX-IAGOWNOFSA-N 2 1 340.512 1.110 20 0 EDADMP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000493960437 447420579 /nfs/dbraw/zinc/42/05/79/447420579.db2.gz LWVLHPUCODTOJW-KCQAQPDRSA-N 2 1 332.448 1.306 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458588807 447423809 /nfs/dbraw/zinc/42/38/09/447423809.db2.gz YKQWASVVOOPGJZ-DLBZAZTESA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458588807 447423815 /nfs/dbraw/zinc/42/38/15/447423815.db2.gz YKQWASVVOOPGJZ-DLBZAZTESA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458588807 447423820 /nfs/dbraw/zinc/42/38/20/447423820.db2.gz YKQWASVVOOPGJZ-DLBZAZTESA-N 2 1 340.512 1.253 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cn2cc[nH+]c12 ZINC000415425009 447424936 /nfs/dbraw/zinc/42/49/36/447424936.db2.gz KAZOFVDLYURINK-HNNXBMFYSA-N 2 1 343.431 1.605 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419808528 447426406 /nfs/dbraw/zinc/42/64/06/447426406.db2.gz UVQODJIZLJDUCX-GASCZTMLSA-N 2 1 338.496 1.143 20 0 EDADMP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000458611490 447426588 /nfs/dbraw/zinc/42/65/88/447426588.db2.gz DWLYQPIQKMVYNQ-IAGOWNOFSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000458611490 447426593 /nfs/dbraw/zinc/42/65/93/447426593.db2.gz DWLYQPIQKMVYNQ-IAGOWNOFSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000458611490 447426600 /nfs/dbraw/zinc/42/66/00/447426600.db2.gz DWLYQPIQKMVYNQ-IAGOWNOFSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000458611490 447426610 /nfs/dbraw/zinc/42/66/10/447426610.db2.gz DWLYQPIQKMVYNQ-IAGOWNOFSA-N 2 1 348.491 1.215 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCOCC1 ZINC000073589760 441328073 /nfs/dbraw/zinc/32/80/73/441328073.db2.gz OJZUBIOWUUQWMW-IKGGRYGDSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCOCC1 ZINC000073589760 441328074 /nfs/dbraw/zinc/32/80/74/441328074.db2.gz OJZUBIOWUUQWMW-IKGGRYGDSA-N 2 1 338.496 1.221 20 0 EDADMP CCC[N@@H+](C)CC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000063755974 441349872 /nfs/dbraw/zinc/34/98/72/441349872.db2.gz RBDZCBNGNYFPDS-UHFFFAOYSA-N 2 1 332.492 1.657 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C[NH+]1CCCCC1 ZINC000106539578 441352954 /nfs/dbraw/zinc/35/29/54/441352954.db2.gz OBXKVSKZUOQOOF-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C(=O)OC)c3)C2)CC1 ZINC000107369747 441412958 /nfs/dbraw/zinc/41/29/58/441412958.db2.gz VRXBSIOCUXYBPZ-GOSISDBHSA-N 2 1 331.460 1.685 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCOCCOc3ccccc3)C2)CC1 ZINC000107369834 441413473 /nfs/dbraw/zinc/41/34/73/441413473.db2.gz WWMISPVNCDBJNS-IBGZPJMESA-N 2 1 347.503 1.794 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000052004125 441430772 /nfs/dbraw/zinc/43/07/72/441430772.db2.gz QSTOXPPAAGDTDP-KRWDZBQOSA-N 2 1 336.524 1.489 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000108462025 441454797 /nfs/dbraw/zinc/45/47/97/441454797.db2.gz PURLNUVJIIXGNJ-HKUYNNGSSA-N 2 1 344.503 1.433 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000108462025 441454799 /nfs/dbraw/zinc/45/47/99/441454799.db2.gz PURLNUVJIIXGNJ-HKUYNNGSSA-N 2 1 344.503 1.433 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000108547540 441463271 /nfs/dbraw/zinc/46/32/71/441463271.db2.gz MKOMCPJJSFALMG-SJORKVTESA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000108547540 441463272 /nfs/dbraw/zinc/46/32/72/441463272.db2.gz MKOMCPJJSFALMG-SJORKVTESA-N 2 1 338.496 1.127 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000108549447 441463705 /nfs/dbraw/zinc/46/37/05/441463705.db2.gz FMVBNFILZOUNLP-INIZCTEOSA-N 2 1 345.491 1.687 20 0 EDADMP C[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000076683002 441674537 /nfs/dbraw/zinc/67/45/37/441674537.db2.gz SLFDFTDYZWHTPX-KRWDZBQOSA-N 2 1 345.487 1.908 20 0 EDADMP C[N@H+](CCOc1ccccc1F)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000042532499 441746238 /nfs/dbraw/zinc/74/62/38/441746238.db2.gz YWVQIBDSERYQIT-UHFFFAOYSA-N 2 1 349.450 1.879 20 0 EDADMP C[N@@H+](CCOc1ccccc1F)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000042532499 441746246 /nfs/dbraw/zinc/74/62/46/441746246.db2.gz YWVQIBDSERYQIT-UHFFFAOYSA-N 2 1 349.450 1.879 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@]3(C)CCC[NH2+]3)cc2)CC1 ZINC000121759294 441774045 /nfs/dbraw/zinc/77/40/45/441774045.db2.gz UAZDZNWICVTEMM-IBGZPJMESA-N 2 1 346.475 1.393 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)NCCC[NH+]1CCOCC1)C(C)(C)C ZINC000116519714 441827388 /nfs/dbraw/zinc/82/73/88/441827388.db2.gz WSICWCRTYJJNKJ-HNNXBMFYSA-N 2 1 328.501 1.374 20 0 EDADMP CC(C[NH+]1CCCC[C@@H]1CC(N)=O)C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000124234728 441912583 /nfs/dbraw/zinc/91/25/83/441912583.db2.gz PERFRLIKWIXMRE-HZPDHXFCSA-N 2 1 338.496 1.082 20 0 EDADMP COC(=O)C1=NOC2(C1)CC[NH+](CCCCn1cc[nH+]c1C)CC2 ZINC000161273027 441979452 /nfs/dbraw/zinc/97/94/52/441979452.db2.gz FUVOZRNSQUCDSF-UHFFFAOYSA-N 2 1 334.420 1.756 20 0 EDADMP C[C@H]1C[C@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C[N@@H+]1C1CC1 ZINC000119932701 441978798 /nfs/dbraw/zinc/97/87/98/441978798.db2.gz PYAKSYCOYYOGMU-YJBOKZPZSA-N 2 1 344.503 1.693 20 0 EDADMP C[C@H]1C[C@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C[N@H+]1C1CC1 ZINC000119932701 441978806 /nfs/dbraw/zinc/97/88/06/441978806.db2.gz PYAKSYCOYYOGMU-YJBOKZPZSA-N 2 1 344.503 1.693 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000175264523 442028583 /nfs/dbraw/zinc/02/85/83/442028583.db2.gz ZPLXJPZBRIMVOU-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000120290068 442044771 /nfs/dbraw/zinc/04/47/71/442044771.db2.gz DJBGCMLBKRBXPM-HNNXBMFYSA-N 2 1 330.436 1.443 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000120290068 442044779 /nfs/dbraw/zinc/04/47/79/442044779.db2.gz DJBGCMLBKRBXPM-HNNXBMFYSA-N 2 1 330.436 1.443 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000176044790 442165631 /nfs/dbraw/zinc/16/56/31/442165631.db2.gz NQVDLQXOWOMAPX-BRWVUGGUSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000170694329 442250075 /nfs/dbraw/zinc/25/00/75/442250075.db2.gz GQEXADFXBWFHRM-IRXDYDNUSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000170694329 442250079 /nfs/dbraw/zinc/25/00/79/442250079.db2.gz GQEXADFXBWFHRM-IRXDYDNUSA-N 2 1 325.497 1.726 20 0 EDADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000165528371 442209166 /nfs/dbraw/zinc/20/91/66/442209166.db2.gz GAQRQSGQIKEQCV-QGZVFWFLSA-N 2 1 332.448 1.087 20 0 EDADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000165528371 442209170 /nfs/dbraw/zinc/20/91/70/442209170.db2.gz GAQRQSGQIKEQCV-QGZVFWFLSA-N 2 1 332.448 1.087 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000152439901 442213156 /nfs/dbraw/zinc/21/31/56/442213156.db2.gz QNNRQTDYIDZDRY-ZIAGYGMSSA-N 2 1 337.489 1.730 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000152439901 442213159 /nfs/dbraw/zinc/21/31/59/442213159.db2.gz QNNRQTDYIDZDRY-ZIAGYGMSSA-N 2 1 337.489 1.730 20 0 EDADMP CC(C)[NH2+]CCC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000166122366 442214283 /nfs/dbraw/zinc/21/42/83/442214283.db2.gz JZZHWGXYKPBOCK-INIZCTEOSA-N 2 1 333.476 1.912 20 0 EDADMP CC(C)[NH2+]CCC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000166122366 442214286 /nfs/dbraw/zinc/21/42/86/442214286.db2.gz JZZHWGXYKPBOCK-INIZCTEOSA-N 2 1 333.476 1.912 20 0 EDADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C[C@@H]1CCC[NH2+]1)CC2 ZINC000166531243 442216966 /nfs/dbraw/zinc/21/69/66/442216966.db2.gz XVPHCYPEHGCEDI-INIZCTEOSA-N 2 1 347.459 1.320 20 0 EDADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C[C@@H]1CCC[NH2+]1)CC2 ZINC000166531243 442216969 /nfs/dbraw/zinc/21/69/69/442216969.db2.gz XVPHCYPEHGCEDI-INIZCTEOSA-N 2 1 347.459 1.320 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000167231294 442219527 /nfs/dbraw/zinc/21/95/27/442219527.db2.gz JRNWJZFYZWNYCH-QGZVFWFLSA-N 2 1 349.475 1.259 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]3CSCN3)c2)C[C@H](C)O1 ZINC000169195365 442226259 /nfs/dbraw/zinc/22/62/59/442226259.db2.gz SRADQLJUZWQSNH-DVOMOZLQSA-N 2 1 335.473 1.897 20 0 EDADMP C[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000153164879 442265463 /nfs/dbraw/zinc/26/54/63/442265463.db2.gz FINCNRAZXPWTEY-ROUUACIJSA-N 2 1 346.475 1.015 20 0 EDADMP COC(=O)CNC(=O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176916856 442272691 /nfs/dbraw/zinc/27/26/91/442272691.db2.gz ZHVBIFUDLOSSSQ-RDJZCZTQSA-N 2 1 347.459 1.261 20 0 EDADMP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000170920183 442288841 /nfs/dbraw/zinc/28/88/41/442288841.db2.gz YTEGAPJSFNNTEU-SFHVURJKSA-N 2 1 330.476 1.015 20 0 EDADMP COC(=O)[C@H](CC(C)C)NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177057037 442291122 /nfs/dbraw/zinc/29/11/22/442291122.db2.gz GVHUVYPCYQARSG-ZNMIVQPWSA-N 2 1 327.469 1.105 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177060731 442292393 /nfs/dbraw/zinc/29/23/93/442292393.db2.gz SQFPZYBOOAVIEQ-JQHSSLGASA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177060731 442292396 /nfs/dbraw/zinc/29/23/96/442292396.db2.gz SQFPZYBOOAVIEQ-JQHSSLGASA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177060731 442292399 /nfs/dbraw/zinc/29/23/99/442292399.db2.gz SQFPZYBOOAVIEQ-JQHSSLGASA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177060731 442292401 /nfs/dbraw/zinc/29/24/01/442292401.db2.gz SQFPZYBOOAVIEQ-JQHSSLGASA-N 2 1 336.476 1.987 20 0 EDADMP CC1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000153677231 442295534 /nfs/dbraw/zinc/29/55/34/442295534.db2.gz BSAFHCOQXWETLY-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000171196184 442326052 /nfs/dbraw/zinc/32/60/52/442326052.db2.gz FJKKTHFTWAQPJA-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP CCC(CC)(C[NH3+])NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000154427133 442338639 /nfs/dbraw/zinc/33/86/39/442338639.db2.gz ACDMWBNZZPCHCS-UHFFFAOYSA-N 2 1 332.492 1.438 20 0 EDADMP CC[C@H](C)NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171306995 442340672 /nfs/dbraw/zinc/34/06/72/442340672.db2.gz DFTVMPLDRWUXLY-HRCADAONSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@H](C)NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171306995 442340675 /nfs/dbraw/zinc/34/06/75/442340675.db2.gz DFTVMPLDRWUXLY-HRCADAONSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1ccc([C@@H](O)CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000131578551 442375204 /nfs/dbraw/zinc/37/52/04/442375204.db2.gz QJKDJPCDIBMZGJ-MSOLQXFVSA-N 2 1 331.460 1.443 20 0 EDADMP Cc1ccc([C@@H](O)CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000131578551 442375205 /nfs/dbraw/zinc/37/52/05/442375205.db2.gz QJKDJPCDIBMZGJ-MSOLQXFVSA-N 2 1 331.460 1.443 20 0 EDADMP CCS(=O)(=O)NCCCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000132865059 442402052 /nfs/dbraw/zinc/40/20/52/442402052.db2.gz AJEXGPZLZLELDQ-IRXDYDNUSA-N 2 1 345.553 1.902 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC([C@@H](C)[NH3+])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178850498 442502510 /nfs/dbraw/zinc/50/25/10/442502510.db2.gz XBDPFBZYECGEOI-DLTWYDFYSA-N 2 1 325.497 1.706 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC([C@@H](C)[NH3+])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178850498 442502512 /nfs/dbraw/zinc/50/25/12/442502512.db2.gz XBDPFBZYECGEOI-DLTWYDFYSA-N 2 1 325.497 1.706 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C[C@@H]1C ZINC000186133713 442469281 /nfs/dbraw/zinc/46/92/81/442469281.db2.gz INRSIFZRSJDHLU-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP COCC[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C[C@@H]1C ZINC000186133713 442469285 /nfs/dbraw/zinc/46/92/85/442469285.db2.gz INRSIFZRSJDHLU-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178872973 442509901 /nfs/dbraw/zinc/50/99/01/442509901.db2.gz KGFLHRLIESWEBV-GOSISDBHSA-N 2 1 330.476 1.050 20 0 EDADMP CNC(=O)NC(=O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156984928 442538563 /nfs/dbraw/zinc/53/85/63/442538563.db2.gz HFOHWYKNJXCBOI-HOCLYGCPSA-N 2 1 332.448 1.427 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000180117235 442544144 /nfs/dbraw/zinc/54/41/44/442544144.db2.gz JTYVEXYZCOLMKT-UYAOXDASSA-N 2 1 344.503 1.576 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000180117235 442544149 /nfs/dbraw/zinc/54/41/49/442544149.db2.gz JTYVEXYZCOLMKT-UYAOXDASSA-N 2 1 344.503 1.576 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000180117235 442544154 /nfs/dbraw/zinc/54/41/54/442544154.db2.gz JTYVEXYZCOLMKT-UYAOXDASSA-N 2 1 344.503 1.576 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)N(C)c3ccccc3)C2)CC1 ZINC000135059479 442551206 /nfs/dbraw/zinc/55/12/06/442551206.db2.gz KUIQXLLEQZGEJC-IBGZPJMESA-N 2 1 344.503 1.751 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC([NH2+]C)CC3)cc2F)CC1 ZINC000179138632 442581180 /nfs/dbraw/zinc/58/11/80/442581180.db2.gz BGSIOSXTUYZGIB-UHFFFAOYSA-N 2 1 348.466 1.792 20 0 EDADMP C[N@@H+](CCCC(=O)NC(N)=O)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388986 442638903 /nfs/dbraw/zinc/63/89/03/442638903.db2.gz PZSQEPBJWWLHRQ-UHFFFAOYSA-N 2 1 347.463 1.595 20 0 EDADMP CC1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000136214297 442656071 /nfs/dbraw/zinc/65/60/71/442656071.db2.gz MNRQBBUNOIJGQA-FGTMMUONSA-N 2 1 337.508 1.819 20 0 EDADMP CC1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000136214297 442656073 /nfs/dbraw/zinc/65/60/73/442656073.db2.gz MNRQBBUNOIJGQA-FGTMMUONSA-N 2 1 337.508 1.819 20 0 EDADMP CCCn1cc[nH+]c1CCCN(C)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000192235462 442619950 /nfs/dbraw/zinc/61/99/50/442619950.db2.gz OTCNTOOORJUIOX-UHFFFAOYSA-N 2 1 340.435 1.920 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1(C)C ZINC000188237428 442728137 /nfs/dbraw/zinc/72/81/37/442728137.db2.gz HCYBALWAFPHJJR-HDMKZQKVSA-N 2 1 325.497 1.852 20 0 EDADMP CCOC1CC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)(N2CCOCC2)C1 ZINC000193398857 442738837 /nfs/dbraw/zinc/73/88/37/442738837.db2.gz OQLVBBQTSORKGJ-FKAKGIQBSA-N 2 1 337.508 1.473 20 0 EDADMP C([NH+]1CC[C@]2(CCOC2)C1)C1(C[N@H+]2CC[C@]3(CCOC3)C2)COC1 ZINC000182227738 442747859 /nfs/dbraw/zinc/74/78/59/442747859.db2.gz JVOXMVFMBUMKRA-ROUUACIJSA-N 2 1 336.476 1.228 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000181725334 442712881 /nfs/dbraw/zinc/71/28/81/442712881.db2.gz ZYZXEFWWBRKLCG-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000246699214 442805674 /nfs/dbraw/zinc/80/56/74/442805674.db2.gz YBOAODPBVGVHFP-IRXDYDNUSA-N 2 1 325.497 1.726 20 0 EDADMP CCCCCNC(=O)[C@H](C)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246699214 442805677 /nfs/dbraw/zinc/80/56/77/442805677.db2.gz YBOAODPBVGVHFP-IRXDYDNUSA-N 2 1 325.497 1.726 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000267904451 442783116 /nfs/dbraw/zinc/78/31/16/442783116.db2.gz ZSKYXSZAGRPGKK-SFHVURJKSA-N 2 1 349.450 1.879 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000247149793 442838256 /nfs/dbraw/zinc/83/82/56/442838256.db2.gz UEWNSESFGXNAAM-YYIAUSFCSA-N 2 1 340.512 1.658 20 0 EDADMP COC[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](COC)C2)C1 ZINC000247225937 442842347 /nfs/dbraw/zinc/84/23/47/442842347.db2.gz YVMAHYOGESNXRY-QZTJIDSGSA-N 2 1 328.497 1.720 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000268127774 442859548 /nfs/dbraw/zinc/85/95/48/442859548.db2.gz BQLSZPKFULOXRT-SJKOYZFVSA-N 2 1 342.443 1.169 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000268127774 442859552 /nfs/dbraw/zinc/85/95/52/442859552.db2.gz BQLSZPKFULOXRT-SJKOYZFVSA-N 2 1 342.443 1.169 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000268127774 442859556 /nfs/dbraw/zinc/85/95/56/442859556.db2.gz BQLSZPKFULOXRT-SJKOYZFVSA-N 2 1 342.443 1.169 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000268127774 442859559 /nfs/dbraw/zinc/85/95/59/442859559.db2.gz BQLSZPKFULOXRT-SJKOYZFVSA-N 2 1 342.443 1.169 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000189092922 442875589 /nfs/dbraw/zinc/87/55/89/442875589.db2.gz XTJOQYPWJCGHHN-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189092922 442875592 /nfs/dbraw/zinc/87/55/92/442875592.db2.gz XTJOQYPWJCGHHN-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189092922 442875595 /nfs/dbraw/zinc/87/55/95/442875595.db2.gz XTJOQYPWJCGHHN-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CC(C)OCCCC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000183210297 442904635 /nfs/dbraw/zinc/90/46/35/442904635.db2.gz MSDRYWWMKVZPMD-JWTNVVGKSA-N 2 1 337.508 1.961 20 0 EDADMP CC[C@@H]1CN([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000249065404 442948868 /nfs/dbraw/zinc/94/88/68/442948868.db2.gz UKCYKVZALYDPCJ-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP CN(CC(=O)N1CC[NH+](C)CC1)Cc1ccc(Br)s1 ZINC000183301483 442919562 /nfs/dbraw/zinc/91/95/62/442919562.db2.gz MWAXNQIOGJOSRL-UHFFFAOYSA-N 2 1 346.294 1.716 20 0 EDADMP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000183387945 442926834 /nfs/dbraw/zinc/92/68/34/442926834.db2.gz SEWXBTFSEORIDW-CQSZACIVSA-N 2 1 339.480 1.251 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000619065498 450397963 /nfs/dbraw/zinc/39/79/63/450397963.db2.gz FOWNCJOIALHEAD-QGZVFWFLSA-N 2 1 342.487 1.409 20 0 EDADMP C[C@H]([NH3+])CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000194939163 442970150 /nfs/dbraw/zinc/97/01/50/442970150.db2.gz JVFLIQRELSGXLB-WFASDCNBSA-N 2 1 329.366 1.904 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)nn1C ZINC000195118933 442984299 /nfs/dbraw/zinc/98/42/99/442984299.db2.gz COAORVXJSGNRRZ-HNNXBMFYSA-N 2 1 336.484 1.608 20 0 EDADMP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)c(C)c1 ZINC000265981678 442992980 /nfs/dbraw/zinc/99/29/80/442992980.db2.gz BMIHMDPJAMKVAX-RTBURBONSA-N 2 1 348.487 1.697 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000268757554 443098534 /nfs/dbraw/zinc/09/85/34/443098534.db2.gz MBBQXMJYNCTCQB-WBVHZDCISA-N 2 1 339.505 1.426 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000268757554 443098536 /nfs/dbraw/zinc/09/85/36/443098536.db2.gz MBBQXMJYNCTCQB-WBVHZDCISA-N 2 1 339.505 1.426 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000268814343 443117069 /nfs/dbraw/zinc/11/70/69/443117069.db2.gz JUCIXKVJXKZEGC-XJKCOSOUSA-N 2 1 325.478 1.876 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000190515257 443124641 /nfs/dbraw/zinc/12/46/41/443124641.db2.gz CNEVMLCGSYIDOK-KRWDZBQOSA-N 2 1 325.497 1.414 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)cs1 ZINC000237721558 443180712 /nfs/dbraw/zinc/18/07/12/443180712.db2.gz RIKRGVZRESJIQL-CVEARBPZSA-N 2 1 336.505 1.907 20 0 EDADMP CC[C@H](NC(=O)C[NH2+]C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237002273 443156083 /nfs/dbraw/zinc/15/60/83/443156083.db2.gz FFCUQKDYEIXSOV-ROUUACIJSA-N 2 1 331.460 1.534 20 0 EDADMP CC[C@H](NC(=O)C[NH2+]C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237002273 443156086 /nfs/dbraw/zinc/15/60/86/443156086.db2.gz FFCUQKDYEIXSOV-ROUUACIJSA-N 2 1 331.460 1.534 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245393648 443222731 /nfs/dbraw/zinc/22/27/31/443222731.db2.gz DGGZJQQVPWKXKD-JYJNAYRXSA-N 2 1 328.501 1.515 20 0 EDADMP CC(C)CNC(=O)NC(=O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674566 443236043 /nfs/dbraw/zinc/23/60/43/443236043.db2.gz TWBSYFOQRICCCH-LSDHHAIUSA-N 2 1 338.496 1.711 20 0 EDADMP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674566 443236045 /nfs/dbraw/zinc/23/60/45/443236045.db2.gz TWBSYFOQRICCCH-LSDHHAIUSA-N 2 1 338.496 1.711 20 0 EDADMP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674566 443236048 /nfs/dbraw/zinc/23/60/48/443236048.db2.gz TWBSYFOQRICCCH-LSDHHAIUSA-N 2 1 338.496 1.711 20 0 EDADMP C[C@@H]([NH2+]CC(=O)NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694350 443239934 /nfs/dbraw/zinc/23/99/34/443239934.db2.gz QNSHANRNWUDQJJ-WBVHZDCISA-N 2 1 330.476 1.940 20 0 EDADMP C[C@@H]([NH2+]CC(=O)NCc1cccnc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185694350 443239937 /nfs/dbraw/zinc/23/99/37/443239937.db2.gz QNSHANRNWUDQJJ-WBVHZDCISA-N 2 1 330.476 1.940 20 0 EDADMP C[C@H](CNC(=O)c1ccccc1CN1CCOCC1)[N@@H+](C)C1CC1 ZINC000266789839 443242234 /nfs/dbraw/zinc/24/22/34/443242234.db2.gz CBJYXLWAUZHYNN-OAHLLOKOSA-N 2 1 331.460 1.731 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397337091 319134251 /nfs/dbraw/zinc/13/42/51/319134251.db2.gz BJVCOJTVOQHKHE-QLFBSQMISA-N 2 1 327.469 1.552 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000397343530 319134312 /nfs/dbraw/zinc/13/43/12/319134312.db2.gz WWVHTROXBLLFPI-HZSPNIEDSA-N 2 1 341.477 1.018 20 0 EDADMP COCC(COC)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000411868677 319209973 /nfs/dbraw/zinc/20/99/73/319209973.db2.gz ZBWGVHZGPOPAIZ-LJQANCHMSA-N 2 1 347.503 1.540 20 0 EDADMP COCC(COC)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000411868677 319209974 /nfs/dbraw/zinc/20/99/74/319209974.db2.gz ZBWGVHZGPOPAIZ-LJQANCHMSA-N 2 1 347.503 1.540 20 0 EDADMP Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1C ZINC000414682076 319341237 /nfs/dbraw/zinc/34/12/37/319341237.db2.gz XQCCQMRWYDTGNG-INIZCTEOSA-N 2 1 346.475 1.371 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)C1 ZINC000414682727 319341790 /nfs/dbraw/zinc/34/17/90/319341790.db2.gz AIANMPIQZVWCFD-RTBURBONSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1CNCCN1C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000415793360 319370641 /nfs/dbraw/zinc/37/06/41/319370641.db2.gz UJRMGPOWYYNWAL-VIFPVBQESA-N 2 1 342.241 1.736 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H](C)[C@H]([NH3+])C3)c2C1 ZINC000415831718 319375636 /nfs/dbraw/zinc/37/56/36/319375636.db2.gz PCAZOXLPYZVUIL-SWLSCSKDSA-N 2 1 330.432 1.156 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H](C)[C@H]([NH3+])C3)c2C1 ZINC000415831718 319375638 /nfs/dbraw/zinc/37/56/38/319375638.db2.gz PCAZOXLPYZVUIL-SWLSCSKDSA-N 2 1 330.432 1.156 20 0 EDADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)C[C@H]1[NH3+] ZINC000415833780 319375915 /nfs/dbraw/zinc/37/59/15/319375915.db2.gz IEQJRHBJJZKZQQ-QMTHXVAHSA-N 2 1 338.839 1.146 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415958639 319384871 /nfs/dbraw/zinc/38/48/71/319384871.db2.gz XGIQNIPXUFFQOT-AWEZNQCLSA-N 2 1 349.483 1.128 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000269285955 443267111 /nfs/dbraw/zinc/26/71/11/443267111.db2.gz IGYKVTCJZBMNSQ-LPHOPBHVSA-N 2 1 330.476 1.313 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000191495389 443303283 /nfs/dbraw/zinc/30/32/83/443303283.db2.gz SVPWEWYAIOYLGI-HZPDHXFCSA-N 2 1 336.480 1.793 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000191495389 443303287 /nfs/dbraw/zinc/30/32/87/443303287.db2.gz SVPWEWYAIOYLGI-HZPDHXFCSA-N 2 1 336.480 1.793 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NC(=O)NC1CCCC1 ZINC000191503423 443304517 /nfs/dbraw/zinc/30/45/17/443304517.db2.gz SCWRGVXLKHVMAS-UHFFFAOYSA-N 2 1 349.479 1.926 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NC(=O)NC1CCCC1 ZINC000191503423 443304518 /nfs/dbraw/zinc/30/45/18/443304518.db2.gz SCWRGVXLKHVMAS-UHFFFAOYSA-N 2 1 349.479 1.926 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000416839215 319465608 /nfs/dbraw/zinc/46/56/08/319465608.db2.gz JTCFMDUPVDGJON-APWZRJJASA-N 2 1 348.491 1.987 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000416937487 319479361 /nfs/dbraw/zinc/47/93/61/319479361.db2.gz JJYCJXWCLSBANQ-GVDBMIGSSA-N 2 1 340.512 1.645 20 0 EDADMP O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000282397774 443327204 /nfs/dbraw/zinc/32/72/04/443327204.db2.gz KHNABCMQHZGSQR-OKZBNKHCSA-N 2 1 343.471 1.883 20 0 EDADMP C[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)CCN1c1nccn2cnnc12 ZINC000269661548 443383885 /nfs/dbraw/zinc/38/38/85/443383885.db2.gz ONTVMVSNUJQOMB-HZPDHXFCSA-N 2 1 343.479 1.509 20 0 EDADMP Cc1cc(N2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)nc(C)[nH+]1 ZINC000267284965 443404740 /nfs/dbraw/zinc/40/47/40/443404740.db2.gz AHBXEGYHTQYYRI-UHFFFAOYSA-N 2 1 331.464 1.520 20 0 EDADMP [NH3+][C@H]1C[C@H]([NH2+]CCN2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000422696221 319732339 /nfs/dbraw/zinc/73/23/39/319732339.db2.gz RALDVAJUSZQKRK-ROUUACIJSA-N 2 1 338.459 1.333 20 0 EDADMP FC(F)COc1ncccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423025089 319747318 /nfs/dbraw/zinc/74/73/18/319747318.db2.gz NMIBBUDZGHHHFZ-SOUVJXGZSA-N 2 1 341.402 1.972 20 0 EDADMP COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000265030416 443512932 /nfs/dbraw/zinc/51/29/32/443512932.db2.gz UUWHPHOPZLHRHQ-GJZGRUSLSA-N 2 1 338.448 1.327 20 0 EDADMP COc1cccc(OC)c1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000265030416 443512937 /nfs/dbraw/zinc/51/29/37/443512937.db2.gz UUWHPHOPZLHRHQ-GJZGRUSLSA-N 2 1 338.448 1.327 20 0 EDADMP O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)[C@H]1CC[NH2+]1 ZINC000444269068 320123511 /nfs/dbraw/zinc/12/35/11/320123511.db2.gz LFQBZUKZVHOKJC-OAHLLOKOSA-N 2 1 336.867 1.330 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1)[NH+]1CCCCC1 ZINC000444358750 320127698 /nfs/dbraw/zinc/12/76/98/320127698.db2.gz ARNLTMAQJUMUIG-FUHWJXTLSA-N 2 1 339.524 1.801 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCCC3(C)C)cc2C1 ZINC000454073423 320282211 /nfs/dbraw/zinc/28/22/11/320282211.db2.gz VKOLTUPFZHCOGG-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCCC3(C)C)cc2C1 ZINC000454073423 320282213 /nfs/dbraw/zinc/28/22/13/320282213.db2.gz VKOLTUPFZHCOGG-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NCC[N@@H+]3CCCC3(C)C)cc2C1 ZINC000454073423 320282216 /nfs/dbraw/zinc/28/22/16/320282216.db2.gz VKOLTUPFZHCOGG-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NCC[N@H+]3CCCC3(C)C)cc2C1 ZINC000454073423 320282217 /nfs/dbraw/zinc/28/22/17/320282217.db2.gz VKOLTUPFZHCOGG-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000457500494 320328414 /nfs/dbraw/zinc/32/84/14/320328414.db2.gz CAMKWCHADYSCPS-DLBZAZTESA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000457500494 320328415 /nfs/dbraw/zinc/32/84/15/320328415.db2.gz CAMKWCHADYSCPS-DLBZAZTESA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000457500494 320328416 /nfs/dbraw/zinc/32/84/16/320328416.db2.gz CAMKWCHADYSCPS-DLBZAZTESA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)CCO1 ZINC000457587391 320329585 /nfs/dbraw/zinc/32/95/85/320329585.db2.gz UGLYRAGXIZKEQY-INIZCTEOSA-N 2 1 349.519 1.963 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NC(C)(C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000457590816 320329702 /nfs/dbraw/zinc/32/97/02/320329702.db2.gz ZAFHPAXIUGYFRB-IYBDPMFKSA-N 2 1 342.528 1.905 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCCCC[NH+]3CCOCC3)C2)C1 ZINC000457750561 320335072 /nfs/dbraw/zinc/33/50/72/320335072.db2.gz RSGFVJPNZUWZMH-GOSISDBHSA-N 2 1 338.496 1.226 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000459808075 320349753 /nfs/dbraw/zinc/34/97/53/320349753.db2.gz RTXDONCHWRIICW-GJZGRUSLSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@H](C)N(CC(=O)OC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000281216146 443850424 /nfs/dbraw/zinc/85/04/24/443850424.db2.gz KALRSHAAJHAPAV-AWEZNQCLSA-N 2 1 335.452 1.002 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)n1C ZINC000276732899 443806648 /nfs/dbraw/zinc/80/66/48/443806648.db2.gz YRAXOHVGVUHTRI-UHFFFAOYSA-N 2 1 327.432 1.104 20 0 EDADMP COC1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCOCC1 ZINC000276980164 443883381 /nfs/dbraw/zinc/88/33/81/443883381.db2.gz GQMRPWRRONSTOC-IBGZPJMESA-N 2 1 348.487 1.929 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCCCNc2ccc(C)c[nH+]2)[N@H+](C)C1 ZINC000285199097 443892080 /nfs/dbraw/zinc/89/20/80/443892080.db2.gz OASZIMPEONZQHL-HOTGVXAUSA-N 2 1 349.479 1.553 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCCCNc2ccc(C)c[nH+]2)[N@@H+](C)C1 ZINC000285199097 443892084 /nfs/dbraw/zinc/89/20/84/443892084.db2.gz OASZIMPEONZQHL-HOTGVXAUSA-N 2 1 349.479 1.553 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N1CCO[C@@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000285340118 443948275 /nfs/dbraw/zinc/94/82/75/443948275.db2.gz SWCBIFHJNVUWOJ-KSZLIROESA-N 2 1 331.460 1.611 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CCO[C@@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000285340118 443948278 /nfs/dbraw/zinc/94/82/78/443948278.db2.gz SWCBIFHJNVUWOJ-KSZLIROESA-N 2 1 331.460 1.611 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000285340118 443948282 /nfs/dbraw/zinc/94/82/82/443948282.db2.gz SWCBIFHJNVUWOJ-KSZLIROESA-N 2 1 331.460 1.611 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000285340118 443948286 /nfs/dbraw/zinc/94/82/86/443948286.db2.gz SWCBIFHJNVUWOJ-KSZLIROESA-N 2 1 331.460 1.611 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cn2ccnc12 ZINC000293111581 443927496 /nfs/dbraw/zinc/92/74/96/443927496.db2.gz CYVKYOZQMUWKRB-SFHVURJKSA-N 2 1 341.415 1.135 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cn2cc[nH+]c12 ZINC000293111581 443927497 /nfs/dbraw/zinc/92/74/97/443927497.db2.gz CYVKYOZQMUWKRB-SFHVURJKSA-N 2 1 341.415 1.135 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cn2cc[nH+]c12 ZINC000293111581 443927499 /nfs/dbraw/zinc/92/74/99/443927499.db2.gz CYVKYOZQMUWKRB-SFHVURJKSA-N 2 1 341.415 1.135 20 0 EDADMP COc1ccc(F)cc1C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000299038195 443934927 /nfs/dbraw/zinc/93/49/27/443934927.db2.gz FOJCQRNCMZLYTR-UHFFFAOYSA-N 2 1 337.439 1.932 20 0 EDADMP C[N@@H+](CCC1OCCO1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285577172 444034558 /nfs/dbraw/zinc/03/45/58/444034558.db2.gz WQZDYQLISWMCTN-UHFFFAOYSA-N 2 1 333.476 1.499 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)N1CCN(c2ccccc2)CC1 ZINC000299474862 444055650 /nfs/dbraw/zinc/05/56/50/444055650.db2.gz BDYVGZDAGKSQEL-FUHWJXTLSA-N 2 1 330.476 1.408 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)CO ZINC000293411498 444010121 /nfs/dbraw/zinc/01/01/21/444010121.db2.gz MNABFJXPPHYHKW-INIZCTEOSA-N 2 1 333.476 1.601 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000299480200 444058131 /nfs/dbraw/zinc/05/81/31/444058131.db2.gz JRGSPHALPUZMIH-INIZCTEOSA-N 2 1 333.411 1.933 20 0 EDADMP CS(=O)(=O)N1CCCC[C@H]1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000556919349 320997030 /nfs/dbraw/zinc/99/70/30/320997030.db2.gz GCXNSMZBALAICV-KRWDZBQOSA-N 2 1 343.537 1.797 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3Cc4cccc(O)c4C3)cn2)CC1 ZINC000562360929 321053657 /nfs/dbraw/zinc/05/36/57/321053657.db2.gz FUWJQXZKZXIQNH-MRXNPFEDSA-N 2 1 339.443 1.191 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@@H]3CCC[NH2+]C3)c2)CCO1 ZINC000562803399 321077251 /nfs/dbraw/zinc/07/72/51/321077251.db2.gz WEFHJONWMNOMBJ-CRAIPNDOSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@@H]3CCC[NH2+]C3)c2)CCO1 ZINC000562803399 321077252 /nfs/dbraw/zinc/07/72/52/321077252.db2.gz WEFHJONWMNOMBJ-CRAIPNDOSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@@H](NC(=O)Cn1ccnc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000564015485 321118876 /nfs/dbraw/zinc/11/88/76/321118876.db2.gz ZSFICMOQRZYXGO-WBVHZDCISA-N 2 1 328.416 1.289 20 0 EDADMP C[C@@H](NC(=O)Cn1ccnc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000564015485 321118878 /nfs/dbraw/zinc/11/88/78/321118878.db2.gz ZSFICMOQRZYXGO-WBVHZDCISA-N 2 1 328.416 1.289 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](OC)C3CC3)CC2)CC1 ZINC000565431835 321186176 /nfs/dbraw/zinc/18/61/76/321186176.db2.gz KPSWLZZBUMAYAG-SFHVURJKSA-N 2 1 337.508 1.724 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000565765322 321199838 /nfs/dbraw/zinc/19/98/38/321199838.db2.gz ADXLABLXTVFMBJ-ZWKOTPCHSA-N 2 1 328.460 1.775 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000565881948 321204912 /nfs/dbraw/zinc/20/49/12/321204912.db2.gz SPKNPBBKMKZZDP-OAHLLOKOSA-N 2 1 340.512 1.525 20 0 EDADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000567041214 321239968 /nfs/dbraw/zinc/23/99/68/321239968.db2.gz ANXWNSLBEBWDIS-DOTOQJQBSA-N 2 1 338.540 1.591 20 0 EDADMP Clc1ccc(CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)s1 ZINC000568637037 321300354 /nfs/dbraw/zinc/30/03/54/321300354.db2.gz GUWMHNNKXVCNRF-UHFFFAOYSA-N 2 1 328.913 1.424 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(C(C)=O)cc2)C1 ZINC000569228399 321321937 /nfs/dbraw/zinc/32/19/37/321321937.db2.gz DELUKSBNFOZBRR-FUHWJXTLSA-N 2 1 334.460 1.950 20 0 EDADMP [NH3+]C[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000570941275 321365387 /nfs/dbraw/zinc/36/53/87/321365387.db2.gz UHZQTPDVKGJFFK-MSOLQXFVSA-N 2 1 330.476 1.889 20 0 EDADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2cnnn2)cc1 ZINC000282288722 444138881 /nfs/dbraw/zinc/13/88/81/444138881.db2.gz LLOZPRLFAAWIAW-OAHLLOKOSA-N 2 1 343.479 1.339 20 0 EDADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cn(CC(=O)OC)nn2)cc1 ZINC000294825009 444146990 /nfs/dbraw/zinc/14/69/90/444146990.db2.gz RTIWAAYJTRQKKO-UHFFFAOYSA-N 2 1 345.447 1.583 20 0 EDADMP COCCOCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285968359 444165338 /nfs/dbraw/zinc/16/53/38/444165338.db2.gz NJKRNJBVCKCZII-FQEVSTJZSA-N 2 1 347.503 1.542 20 0 EDADMP COCCOCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285968359 444165339 /nfs/dbraw/zinc/16/53/39/444165339.db2.gz NJKRNJBVCKCZII-FQEVSTJZSA-N 2 1 347.503 1.542 20 0 EDADMP C[C@@H]([NH2+]CCCn1cc(CO)nn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289886290 444215053 /nfs/dbraw/zinc/21/50/53/444215053.db2.gz SHOFNCBUDRVTGO-AEFFLSMTSA-N 2 1 343.475 1.661 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000575157529 321517996 /nfs/dbraw/zinc/51/79/96/321517996.db2.gz NACNCYXKQVKDRO-JKSUJKDBSA-N 2 1 334.489 1.090 20 0 EDADMP COCCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000295749633 444192542 /nfs/dbraw/zinc/19/25/42/444192542.db2.gz NPLBPNFOQMWXHD-QXAKKESOSA-N 2 1 336.476 1.511 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000289742100 444197410 /nfs/dbraw/zinc/19/74/10/444197410.db2.gz HEUYASCBTCNISM-MSOLQXFVSA-N 2 1 330.476 1.186 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289778898 444202184 /nfs/dbraw/zinc/20/21/84/444202184.db2.gz IYHTVTSEMPHCQZ-IAGOWNOFSA-N 2 1 347.459 1.247 20 0 EDADMP COc1nccc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccn2C)n1 ZINC000297041350 444269477 /nfs/dbraw/zinc/26/94/77/444269477.db2.gz XYMFOFFHTPKKTB-ZFWWWQNUSA-N 2 1 348.426 1.263 20 0 EDADMP C[C@H](NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1)c1cccs1 ZINC000317129204 444313673 /nfs/dbraw/zinc/31/36/73/444313673.db2.gz ACWURCRLJDHJNG-ZDUSSCGKSA-N 2 1 325.478 1.755 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@]4(O)CCCC[C@H]4C3)cn2)CC1 ZINC000305745389 444277215 /nfs/dbraw/zinc/27/72/15/444277215.db2.gz OCHNWEYJXIFYRM-HKUYNNGSSA-N 2 1 345.491 1.355 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@]4(O)CCCC[C@H]4C3)cn2)CC1 ZINC000305745389 444277217 /nfs/dbraw/zinc/27/72/17/444277217.db2.gz OCHNWEYJXIFYRM-HKUYNNGSSA-N 2 1 345.491 1.355 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000297173093 444277469 /nfs/dbraw/zinc/27/74/69/444277469.db2.gz UANCYNLUBLFHIF-GOSISDBHSA-N 2 1 342.443 1.599 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000297173093 444277471 /nfs/dbraw/zinc/27/74/71/444277471.db2.gz UANCYNLUBLFHIF-GOSISDBHSA-N 2 1 342.443 1.599 20 0 EDADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000324949925 444360226 /nfs/dbraw/zinc/36/02/26/444360226.db2.gz GOMQLDFMCRQPDW-JKSUJKDBSA-N 2 1 340.512 1.104 20 0 EDADMP CC(C)[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)N1CC[NH+](C)CC1 ZINC000326337402 444373961 /nfs/dbraw/zinc/37/39/61/444373961.db2.gz JRCNQDGKLJNUCY-GOSISDBHSA-N 2 1 330.476 1.292 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000340517613 444421709 /nfs/dbraw/zinc/42/17/09/444421709.db2.gz DSNVRRCPFVUWQM-JQHSSLGASA-N 2 1 335.492 1.476 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCC2)[C@H](C)C1 ZINC000337734119 444379834 /nfs/dbraw/zinc/37/98/34/444379834.db2.gz PRZFCPFGCYHVST-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP O=CN1CCCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000298013048 444387052 /nfs/dbraw/zinc/38/70/52/444387052.db2.gz COWAFDUSJTWLSR-UHFFFAOYSA-N 2 1 330.476 1.363 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000331246751 444456466 /nfs/dbraw/zinc/45/64/66/444456466.db2.gz UQEJQCIMNRSSBJ-UHFFFAOYSA-N 2 1 328.482 1.500 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000580419890 322048000 /nfs/dbraw/zinc/04/80/00/322048000.db2.gz QPCLLFRLGKMYIK-QAPCUYQASA-N 2 1 346.475 1.316 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000581424387 322175869 /nfs/dbraw/zinc/17/58/69/322175869.db2.gz MJUMNOGAHKGZPD-MRXNPFEDSA-N 2 1 342.867 1.780 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000581992276 322241597 /nfs/dbraw/zinc/24/15/97/322241597.db2.gz PUIDCONPIHMJEI-UONOGXRCSA-N 2 1 339.509 1.073 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NCCCOC3CCCCC3)C[C@H]21 ZINC000342150165 444535299 /nfs/dbraw/zinc/53/52/99/444535299.db2.gz XDUCQENRFDIXJB-CGTJXYLNSA-N 2 1 337.508 1.901 20 0 EDADMP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342147726 444533358 /nfs/dbraw/zinc/53/33/58/444533358.db2.gz ZDLBQQPJIWXBDS-QSPRXWTASA-N 2 1 331.460 1.759 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N(C)CCC[NH+]1CCCC1)n2C ZINC000343754570 444566684 /nfs/dbraw/zinc/56/66/84/444566684.db2.gz ZKMNJSCWZBHRPI-UHFFFAOYSA-N 2 1 344.463 1.592 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCN1CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000343853983 444629176 /nfs/dbraw/zinc/62/91/76/444629176.db2.gz UMTIDGFQTWQILI-RTBURBONSA-N 2 1 342.487 1.109 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000343853983 444629180 /nfs/dbraw/zinc/62/91/80/444629180.db2.gz UMTIDGFQTWQILI-RTBURBONSA-N 2 1 342.487 1.109 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000343853983 444629183 /nfs/dbraw/zinc/62/91/83/444629183.db2.gz UMTIDGFQTWQILI-RTBURBONSA-N 2 1 342.487 1.109 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000343797170 444598178 /nfs/dbraw/zinc/59/81/78/444598178.db2.gz LJRVOQPNPXUANH-IRXDYDNUSA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000343797170 444598183 /nfs/dbraw/zinc/59/81/83/444598183.db2.gz LJRVOQPNPXUANH-IRXDYDNUSA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000343797170 444598187 /nfs/dbraw/zinc/59/81/87/444598187.db2.gz LJRVOQPNPXUANH-IRXDYDNUSA-N 2 1 339.528 1.186 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)n1C ZINC000625538893 450415789 /nfs/dbraw/zinc/41/57/89/450415789.db2.gz QKXHIPKLENUKJA-DLBZAZTESA-N 2 1 341.459 1.448 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1C ZINC000625538893 450415782 /nfs/dbraw/zinc/41/57/82/450415782.db2.gz QKXHIPKLENUKJA-DLBZAZTESA-N 2 1 341.459 1.448 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000342340361 444641328 /nfs/dbraw/zinc/64/13/28/444641328.db2.gz QIGKYEKJIVGIAQ-APWZRJJASA-N 2 1 342.487 1.997 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000342340361 444641330 /nfs/dbraw/zinc/64/13/30/444641330.db2.gz QIGKYEKJIVGIAQ-APWZRJJASA-N 2 1 342.487 1.997 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343973809 444703481 /nfs/dbraw/zinc/70/34/81/444703481.db2.gz GYXFBBGFSXMNAN-HOJAQTOUSA-N 2 1 331.504 1.548 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000341169231 444708155 /nfs/dbraw/zinc/70/81/55/444708155.db2.gz QREYMLLOIXTBLE-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000341169231 444708157 /nfs/dbraw/zinc/70/81/57/444708157.db2.gz QREYMLLOIXTBLE-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000341169231 444708160 /nfs/dbraw/zinc/70/81/60/444708160.db2.gz QREYMLLOIXTBLE-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@@H](COC)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000341171519 444709497 /nfs/dbraw/zinc/70/94/97/444709497.db2.gz XCXVJEYQQZEHFW-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000341191818 444720295 /nfs/dbraw/zinc/72/02/95/444720295.db2.gz GBMCJIMKABSKOU-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000341191818 444720297 /nfs/dbraw/zinc/72/02/97/444720297.db2.gz GBMCJIMKABSKOU-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@@H]3CC[NH+](C)[C@H](C)C3)CC2)CCO1 ZINC000341191528 444720395 /nfs/dbraw/zinc/72/03/95/444720395.db2.gz FQHIGYJOLXOBMN-BZUAXINKSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)CCO1 ZINC000341191528 444720397 /nfs/dbraw/zinc/72/03/97/444720397.db2.gz FQHIGYJOLXOBMN-BZUAXINKSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)CCO1 ZINC000341191528 444720399 /nfs/dbraw/zinc/72/03/99/444720399.db2.gz FQHIGYJOLXOBMN-BZUAXINKSA-N 2 1 338.496 1.364 20 0 EDADMP CCC(CC)[N@@H+](CC)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000344009517 444724114 /nfs/dbraw/zinc/72/41/14/444724114.db2.gz AYSOODBTOQHEMA-KRWDZBQOSA-N 2 1 327.513 1.970 20 0 EDADMP CCC(CC)[NH+](CC)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000344009517 444724118 /nfs/dbraw/zinc/72/41/18/444724118.db2.gz AYSOODBTOQHEMA-KRWDZBQOSA-N 2 1 327.513 1.970 20 0 EDADMP CCC(CC)[NH+](CC)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000344009517 444724121 /nfs/dbraw/zinc/72/41/21/444724121.db2.gz AYSOODBTOQHEMA-KRWDZBQOSA-N 2 1 327.513 1.970 20 0 EDADMP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000344049529 444750057 /nfs/dbraw/zinc/75/00/57/444750057.db2.gz ONIFVWFKIJLGFA-HIFRSBDPSA-N 2 1 332.835 1.785 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CCN1CCOC[C@H]1C ZINC000344131037 444798701 /nfs/dbraw/zinc/79/87/01/444798701.db2.gz NEYYNHJCQJSHEJ-GOSISDBHSA-N 2 1 326.529 1.057 20 0 EDADMP C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)[C@H]1C ZINC000336868419 444812373 /nfs/dbraw/zinc/81/23/73/444812373.db2.gz SEHAOPSKKMYEDY-HLLBOEOZSA-N 2 1 325.497 1.757 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H](C)C(=O)N[C@@H](C)CC ZINC000344157712 444812922 /nfs/dbraw/zinc/81/29/22/444812922.db2.gz WJLRBAIHIGIAMW-DLBZAZTESA-N 2 1 326.529 1.639 20 0 EDADMP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000342686514 444813787 /nfs/dbraw/zinc/81/37/87/444813787.db2.gz ANUUDQKNUWMYJF-CYBMUJFWSA-N 2 1 341.406 1.723 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COC2CCOCC2)C1 ZINC000336870228 444814594 /nfs/dbraw/zinc/81/45/94/444814594.db2.gz ICZTZUPXLWJEEJ-SJORKVTESA-N 2 1 326.481 1.207 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000336870228 444814596 /nfs/dbraw/zinc/81/45/96/444814596.db2.gz ICZTZUPXLWJEEJ-SJORKVTESA-N 2 1 326.481 1.207 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000336870228 444814599 /nfs/dbraw/zinc/81/45/99/444814599.db2.gz ICZTZUPXLWJEEJ-SJORKVTESA-N 2 1 326.481 1.207 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000341598673 444914850 /nfs/dbraw/zinc/91/48/50/444914850.db2.gz UDEPEEIYQAORPH-MOPGFXCFSA-N 2 1 347.503 1.888 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CCc2cncn2C)CC1 ZINC000339089876 445027390 /nfs/dbraw/zinc/02/73/90/445027390.db2.gz CXQWWJCWGXYUBW-CALCHBBNSA-N 2 1 347.507 1.370 20 0 EDADMP CO[C@@H]1C[C@H](C(=O)N2CCCC2)[N@@H+](CCCCn2ccnc2C)C1 ZINC000344471398 444996033 /nfs/dbraw/zinc/99/60/33/444996033.db2.gz IVOMDHQFVFGAMT-IAGOWNOFSA-N 2 1 334.464 1.683 20 0 EDADMP CO[C@@H]1C[C@H](C(=O)N2CCCC2)[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000344471398 444996040 /nfs/dbraw/zinc/99/60/40/444996040.db2.gz IVOMDHQFVFGAMT-IAGOWNOFSA-N 2 1 334.464 1.683 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000344495318 445011235 /nfs/dbraw/zinc/01/12/35/445011235.db2.gz YLVUGUCPJOTTGJ-QGZVFWFLSA-N 2 1 347.507 1.590 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000339060511 445013378 /nfs/dbraw/zinc/01/33/78/445013378.db2.gz ZJVYDJARBKOGKI-LSTHTHJFSA-N 2 1 349.494 1.687 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000341891849 445056276 /nfs/dbraw/zinc/05/62/76/445056276.db2.gz DABIYFAEJRHEQY-HZPDHXFCSA-N 2 1 332.510 1.244 20 0 EDADMP C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000344577251 445070688 /nfs/dbraw/zinc/07/06/88/445070688.db2.gz WLTIVRLITNIQRZ-MRXNPFEDSA-N 2 1 345.487 1.667 20 0 EDADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000344577251 445070689 /nfs/dbraw/zinc/07/06/89/445070689.db2.gz WLTIVRLITNIQRZ-MRXNPFEDSA-N 2 1 345.487 1.667 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000337343802 445040393 /nfs/dbraw/zinc/04/03/93/445040393.db2.gz YASYHXPQKKXLTB-HOTGVXAUSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000619176543 450421735 /nfs/dbraw/zinc/42/17/35/450421735.db2.gz BZQSVACTRJBXIT-CYBMUJFWSA-N 2 1 347.463 1.323 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCc2sccc2C1 ZINC000343170647 445111972 /nfs/dbraw/zinc/11/19/72/445111972.db2.gz MSJNWKHLPZCATQ-GDBMZVCRSA-N 2 1 348.516 1.001 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+]1CCc2sccc2C1 ZINC000343170647 445111975 /nfs/dbraw/zinc/11/19/75/445111975.db2.gz MSJNWKHLPZCATQ-GDBMZVCRSA-N 2 1 348.516 1.001 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)[N@@H+]1CCc2sccc2C1 ZINC000343170647 445111979 /nfs/dbraw/zinc/11/19/79/445111979.db2.gz MSJNWKHLPZCATQ-GDBMZVCRSA-N 2 1 348.516 1.001 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)[N@H+]1CCc2sccc2C1 ZINC000343170647 445111983 /nfs/dbraw/zinc/11/19/83/445111983.db2.gz MSJNWKHLPZCATQ-GDBMZVCRSA-N 2 1 348.516 1.001 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COC1CCCC1 ZINC000337568218 445141219 /nfs/dbraw/zinc/14/12/19/445141219.db2.gz BBWFLXJSQHYYHY-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CCC[N@H+]1C ZINC000343424051 445219910 /nfs/dbraw/zinc/21/99/10/445219910.db2.gz CEEXTPOLPQZLPJ-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1CN(CC[N@@H+](C)C[C@H]2OCCN(C)[C@H]2c2ccccc2)CCO1 ZINC000346491598 445216743 /nfs/dbraw/zinc/21/67/43/445216743.db2.gz KPWDMNBQDPSZHY-RLLQIKCJSA-N 2 1 347.503 1.711 20 0 EDADMP C[C@@H]1CN(CCN(C)C[C@H]2OCCN(C)[C@H]2c2ccccc2)CCO1 ZINC000346491598 445216744 /nfs/dbraw/zinc/21/67/44/445216744.db2.gz KPWDMNBQDPSZHY-RLLQIKCJSA-N 2 1 347.503 1.711 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343416499 445218444 /nfs/dbraw/zinc/21/84/44/445218444.db2.gz YWGRZGXQFHUXHC-MOPGFXCFSA-N 2 1 342.487 1.157 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343416499 445218445 /nfs/dbraw/zinc/21/84/45/445218445.db2.gz YWGRZGXQFHUXHC-MOPGFXCFSA-N 2 1 342.487 1.157 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343416499 445218446 /nfs/dbraw/zinc/21/84/46/445218446.db2.gz YWGRZGXQFHUXHC-MOPGFXCFSA-N 2 1 342.487 1.157 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@H]([NH3+])CC(F)F)(N2CCCCC2)CC1 ZINC000345693829 445196821 /nfs/dbraw/zinc/19/68/21/445196821.db2.gz OZZXNJOVQUXABH-CYBMUJFWSA-N 3 1 332.439 1.035 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@@H+](C)C1 ZINC000347542816 445242002 /nfs/dbraw/zinc/24/20/02/445242002.db2.gz MOXHEDWQMCYZBH-SOUVJXGZSA-N 2 1 328.501 1.323 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000351789671 445322455 /nfs/dbraw/zinc/32/24/55/445322455.db2.gz MESFMUQUIYSAJL-NVXWUHKLSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)N1CCOCC1 ZINC000343654128 445284794 /nfs/dbraw/zinc/28/47/94/445284794.db2.gz NNQIWLPRZATGQX-XHSDSOJGSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)[NH+]1CCOCC1 ZINC000343654128 445284800 /nfs/dbraw/zinc/28/48/00/445284800.db2.gz NNQIWLPRZATGQX-XHSDSOJGSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351718245 445290407 /nfs/dbraw/zinc/29/04/07/445290407.db2.gz POYLMANJAAUOLT-DNVCBOLYSA-N 2 1 335.467 1.959 20 0 EDADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351718245 445290412 /nfs/dbraw/zinc/29/04/12/445290412.db2.gz POYLMANJAAUOLT-DNVCBOLYSA-N 2 1 335.467 1.959 20 0 EDADMP CC1CC[NH+](CC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000354670584 445333994 /nfs/dbraw/zinc/33/39/94/445333994.db2.gz LQQIDELUKCDTDB-HXUWFJFHSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354904409 445432215 /nfs/dbraw/zinc/43/22/15/445432215.db2.gz JQGRPOYUZIEQSV-QZTJIDSGSA-N 2 1 340.508 1.741 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000348833800 445407933 /nfs/dbraw/zinc/40/79/33/445407933.db2.gz QMXIZCSBHPMSNM-QFBILLFUSA-N 2 1 345.487 1.660 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000348833800 445407934 /nfs/dbraw/zinc/40/79/34/445407934.db2.gz QMXIZCSBHPMSNM-QFBILLFUSA-N 2 1 345.487 1.660 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000348833800 445407935 /nfs/dbraw/zinc/40/79/35/445407935.db2.gz QMXIZCSBHPMSNM-QFBILLFUSA-N 2 1 345.487 1.660 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000348833800 445407936 /nfs/dbraw/zinc/40/79/36/445407936.db2.gz QMXIZCSBHPMSNM-QFBILLFUSA-N 2 1 345.487 1.660 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000362495093 445411737 /nfs/dbraw/zinc/41/17/37/445411737.db2.gz VACGIUVICYQTBZ-IJEWVQPXSA-N 2 1 328.526 1.452 20 0 EDADMP OCC[NH+]1CCN(CCCC[NH2+]Cc2ccsc2Cl)CC1 ZINC000359719035 445391139 /nfs/dbraw/zinc/39/11/39/445391139.db2.gz PQFKDUKMDXSRQR-UHFFFAOYSA-N 2 1 331.913 1.881 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000348897479 445433226 /nfs/dbraw/zinc/43/32/26/445433226.db2.gz CLESPQVGIMNCSM-LJQANCHMSA-N 2 1 345.487 1.350 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000348897479 445433232 /nfs/dbraw/zinc/43/32/32/445433232.db2.gz CLESPQVGIMNCSM-LJQANCHMSA-N 2 1 345.487 1.350 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354986209 445437972 /nfs/dbraw/zinc/43/79/72/445437972.db2.gz WOGCZPVPRBLXRW-BBWFWOEESA-N 2 1 336.524 1.486 20 0 EDADMP COCCCOc1cccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000348961061 445456394 /nfs/dbraw/zinc/45/63/94/445456394.db2.gz DTVSXHPMKAZGAX-GOSISDBHSA-N 2 1 333.476 1.581 20 0 EDADMP CC[C@H](C)[C@@H](OC)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000355451429 445461895 /nfs/dbraw/zinc/46/18/95/445461895.db2.gz YFRAHFPNDGLOII-GVDBMIGSSA-N 2 1 327.513 1.922 20 0 EDADMP O=C(CC[N@@H+]1CCc2ccccc2C1)NCCC[NH+]1CCOCC1 ZINC000348979382 445464151 /nfs/dbraw/zinc/46/41/51/445464151.db2.gz UJZMQRCKJVPJML-UHFFFAOYSA-N 2 1 331.460 1.273 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)NCCC[NH+]1CCOCC1 ZINC000348979382 445464154 /nfs/dbraw/zinc/46/41/54/445464154.db2.gz UJZMQRCKJVPJML-UHFFFAOYSA-N 2 1 331.460 1.273 20 0 EDADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000357295017 445531601 /nfs/dbraw/zinc/53/16/01/445531601.db2.gz ZJSKEKIYWGOEIX-VDZJLULYSA-N 2 1 348.491 1.352 20 0 EDADMP CS[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000352473515 445532371 /nfs/dbraw/zinc/53/23/71/445532371.db2.gz WBYWZGTWHNIZBE-JKSUJKDBSA-N 2 1 325.522 1.757 20 0 EDADMP CCN(C)c1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cn1 ZINC000349070280 445493893 /nfs/dbraw/zinc/49/38/93/445493893.db2.gz BDZWARHTAXDIEG-UHFFFAOYSA-N 2 1 333.524 1.996 20 0 EDADMP CCN(C)c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cn1 ZINC000349070280 445493896 /nfs/dbraw/zinc/49/38/96/445493896.db2.gz BDZWARHTAXDIEG-UHFFFAOYSA-N 2 1 333.524 1.996 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H](N2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000359939835 445497366 /nfs/dbraw/zinc/49/73/66/445497366.db2.gz OMEZBZPXAFQKLB-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1C ZINC000362856710 445583154 /nfs/dbraw/zinc/58/31/54/445583154.db2.gz SHXBORPCVLPBKJ-ZBFHGGJFSA-N 2 1 328.526 1.405 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC[NH+](CC)C(C)C ZINC000349439912 445587965 /nfs/dbraw/zinc/58/79/65/445587965.db2.gz ZWIRUEGFJLRJDO-INIZCTEOSA-N 2 1 340.512 1.214 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@H+](CC)C(C)C ZINC000349439912 445587968 /nfs/dbraw/zinc/58/79/68/445587968.db2.gz ZWIRUEGFJLRJDO-INIZCTEOSA-N 2 1 340.512 1.214 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000349439912 445587970 /nfs/dbraw/zinc/58/79/70/445587970.db2.gz ZWIRUEGFJLRJDO-INIZCTEOSA-N 2 1 340.512 1.214 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)CC[N@H+]1C ZINC000360044430 445542501 /nfs/dbraw/zinc/54/25/01/445542501.db2.gz FLINGOLFBOAPHE-HUUCEWRRSA-N 2 1 336.480 1.704 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccnc2)C1)C1CC1 ZINC000362774102 445544043 /nfs/dbraw/zinc/54/40/43/445544043.db2.gz IDXPOIKAACYTRZ-KRWDZBQOSA-N 2 1 345.491 1.687 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C1CC1 ZINC000362774102 445544048 /nfs/dbraw/zinc/54/40/48/445544048.db2.gz IDXPOIKAACYTRZ-KRWDZBQOSA-N 2 1 345.491 1.687 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CC1 ZINC000362774102 445544052 /nfs/dbraw/zinc/54/40/52/445544052.db2.gz IDXPOIKAACYTRZ-KRWDZBQOSA-N 2 1 345.491 1.687 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)[C@H]2CCC[C@@H]21 ZINC000353446751 445605890 /nfs/dbraw/zinc/60/58/90/445605890.db2.gz KOHADQOWGYEKJE-PMPSAXMXSA-N 2 1 348.491 1.704 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000360171372 445610351 /nfs/dbraw/zinc/61/03/51/445610351.db2.gz OJXUSLSFWRKULW-UHFFFAOYSA-N 2 1 340.512 1.025 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000362936442 445616763 /nfs/dbraw/zinc/61/67/63/445616763.db2.gz VNFKWBXWEPFUHS-FRFSOERESA-N 2 1 335.448 1.124 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000353396062 445592803 /nfs/dbraw/zinc/59/28/03/445592803.db2.gz QRFMRWXIDHRWNJ-MRXNPFEDSA-N 2 1 328.460 1.749 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)cn1 ZINC000353634992 445684171 /nfs/dbraw/zinc/68/41/71/445684171.db2.gz IYCVCAGQWJYYMT-KRWDZBQOSA-N 2 1 335.496 1.701 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)cn1 ZINC000353634992 445684175 /nfs/dbraw/zinc/68/41/75/445684175.db2.gz IYCVCAGQWJYYMT-KRWDZBQOSA-N 2 1 335.496 1.701 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000353801808 445762614 /nfs/dbraw/zinc/76/26/14/445762614.db2.gz UHCMMYHMFODDQU-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000353801808 445762620 /nfs/dbraw/zinc/76/26/20/445762620.db2.gz UHCMMYHMFODDQU-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1C ZINC000353801808 445762624 /nfs/dbraw/zinc/76/26/24/445762624.db2.gz UHCMMYHMFODDQU-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1C ZINC000353801808 445762626 /nfs/dbraw/zinc/76/26/26/445762626.db2.gz UHCMMYHMFODDQU-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000363314338 445763213 /nfs/dbraw/zinc/76/32/13/445763213.db2.gz LKOLTQHFPSGCHY-QZTJIDSGSA-N 2 1 335.492 1.432 20 0 EDADMP CCNC(=O)CC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358871389 445823235 /nfs/dbraw/zinc/82/32/35/445823235.db2.gz JUUWPHMKACIRHM-HOTGVXAUSA-N 2 1 341.496 1.103 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000361471641 445776166 /nfs/dbraw/zinc/77/61/66/445776166.db2.gz SIXZYMIHNFVJLF-UHFFFAOYSA-N 2 1 337.468 1.070 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000361471641 445776168 /nfs/dbraw/zinc/77/61/68/445776168.db2.gz SIXZYMIHNFVJLF-UHFFFAOYSA-N 2 1 337.468 1.070 20 0 EDADMP CCCNC(=O)CCCC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000353837615 445777656 /nfs/dbraw/zinc/77/76/56/445777656.db2.gz CJBXERDWLAGHMV-UHFFFAOYSA-N 2 1 340.512 1.167 20 0 EDADMP CCCNC(=O)CCCC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000353837615 445777661 /nfs/dbraw/zinc/77/76/61/445777661.db2.gz CJBXERDWLAGHMV-UHFFFAOYSA-N 2 1 340.512 1.167 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000353883427 445796295 /nfs/dbraw/zinc/79/62/95/445796295.db2.gz UAVUARHDPMNCKG-QGZVFWFLSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000361540884 445811071 /nfs/dbraw/zinc/81/10/71/445811071.db2.gz YTDJWESOLRGUFJ-RDJZCZTQSA-N 2 1 331.464 1.249 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000361540884 445811073 /nfs/dbraw/zinc/81/10/73/445811073.db2.gz YTDJWESOLRGUFJ-RDJZCZTQSA-N 2 1 331.464 1.249 20 0 EDADMP CC(=O)NCCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358862732 445816741 /nfs/dbraw/zinc/81/67/41/445816741.db2.gz BCAAWWCJQGFSJV-HZPDHXFCSA-N 2 1 341.496 1.103 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000350737254 445892747 /nfs/dbraw/zinc/89/27/47/445892747.db2.gz OTLSTKIXBXTEQM-MRXNPFEDSA-N 2 1 333.480 2.366 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000350737254 445892749 /nfs/dbraw/zinc/89/27/49/445892749.db2.gz OTLSTKIXBXTEQM-MRXNPFEDSA-N 2 1 333.480 2.366 20 0 EDADMP COC1(CNC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCC1 ZINC000364280498 445907322 /nfs/dbraw/zinc/90/73/22/445907322.db2.gz RKYINLBIBJAHSJ-INIZCTEOSA-N 2 1 338.496 1.365 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)C2=O)cn1 ZINC000366014811 445962675 /nfs/dbraw/zinc/96/26/75/445962675.db2.gz ZEPJORUKAJMVLQ-ZBFHGGJFSA-N 2 1 342.447 1.306 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)C2=O)cn1 ZINC000366014811 445962681 /nfs/dbraw/zinc/96/26/81/445962681.db2.gz ZEPJORUKAJMVLQ-ZBFHGGJFSA-N 2 1 342.447 1.306 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@]1([NH+](C)C)CCc2ccccc21 ZINC000366032789 445972589 /nfs/dbraw/zinc/97/25/89/445972589.db2.gz JZECNUJOFRAPNQ-DJKXOVBDSA-N 2 1 327.472 1.989 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@]1([NH+](C)C)CCc2ccccc21 ZINC000366032789 445972596 /nfs/dbraw/zinc/97/25/96/445972596.db2.gz JZECNUJOFRAPNQ-DJKXOVBDSA-N 2 1 327.472 1.989 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C[NH+](C)C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356739765 445980899 /nfs/dbraw/zinc/98/08/99/445980899.db2.gz KCJFJJWXSCGJSG-NCOADZHNSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C[NH+](C)C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356739765 445980902 /nfs/dbraw/zinc/98/09/02/445980902.db2.gz KCJFJJWXSCGJSG-NCOADZHNSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356739765 445980907 /nfs/dbraw/zinc/98/09/07/445980907.db2.gz KCJFJJWXSCGJSG-NCOADZHNSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356739765 445980910 /nfs/dbraw/zinc/98/09/10/445980910.db2.gz KCJFJJWXSCGJSG-NCOADZHNSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC3(CCC3)C[C@H]2C)C1 ZINC000373025083 445982095 /nfs/dbraw/zinc/98/20/95/445982095.db2.gz KLURWBLSAVCDAZ-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC3(CCC3)C[C@H]2C)C1 ZINC000373025083 445982099 /nfs/dbraw/zinc/98/20/99/445982099.db2.gz KLURWBLSAVCDAZ-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC3(CCC3)C[C@H]2C)C1 ZINC000373025083 445982102 /nfs/dbraw/zinc/98/21/02/445982102.db2.gz KLURWBLSAVCDAZ-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000373038788 445989267 /nfs/dbraw/zinc/98/92/67/445989267.db2.gz WRMJZQAKKWARAU-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP c1nc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc(N2CCSCC2)n1 ZINC000372969618 445949843 /nfs/dbraw/zinc/94/98/43/445949843.db2.gz NYDBLMOXZRWFSM-JYJNAYRXSA-N 2 1 345.516 1.950 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000373083473 446015766 /nfs/dbraw/zinc/01/57/66/446015766.db2.gz HRQXZCDRGAGVOV-ZWKOTPCHSA-N 2 1 335.492 1.763 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000373083473 446015773 /nfs/dbraw/zinc/01/57/73/446015773.db2.gz HRQXZCDRGAGVOV-ZWKOTPCHSA-N 2 1 335.492 1.763 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000354238037 446034158 /nfs/dbraw/zinc/03/41/58/446034158.db2.gz GWYQGFRYKYSHMX-OAHLLOKOSA-N 2 1 334.464 1.766 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCO[C@@H]3CCCCO3)C2)CC1 ZINC000373119484 446042708 /nfs/dbraw/zinc/04/27/08/446042708.db2.gz ZAALHAGIASLYEE-ZWKOTPCHSA-N 2 1 325.497 1.489 20 0 EDADMP COCCSCCC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000365131075 446044148 /nfs/dbraw/zinc/04/41/48/446044148.db2.gz HQEKZDWUSVECSH-QGZVFWFLSA-N 2 1 329.554 1.858 20 0 EDADMP COCCSCCC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000365131075 446044152 /nfs/dbraw/zinc/04/41/52/446044152.db2.gz HQEKZDWUSVECSH-QGZVFWFLSA-N 2 1 329.554 1.858 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)C2CCN(CC(F)F)CC2)CC1 ZINC000356772919 446003261 /nfs/dbraw/zinc/00/32/61/446003261.db2.gz NYGPBXNQIILZJB-CYBMUJFWSA-N 2 1 347.450 1.267 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000365066145 446004240 /nfs/dbraw/zinc/00/42/40/446004240.db2.gz HAAWTMMDRXOVHF-QRQLOZEOSA-N 2 1 339.524 1.264 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000356778506 446008951 /nfs/dbraw/zinc/00/89/51/446008951.db2.gz QNGQZNPSBCGJAQ-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000356778506 446008955 /nfs/dbraw/zinc/00/89/55/446008955.db2.gz QNGQZNPSBCGJAQ-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000356778506 446008960 /nfs/dbraw/zinc/00/89/60/446008960.db2.gz QNGQZNPSBCGJAQ-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000583371577 326059446 /nfs/dbraw/zinc/05/94/46/326059446.db2.gz YZNICSSZNMADKD-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000583371015 326059539 /nfs/dbraw/zinc/05/95/39/326059539.db2.gz PMEMLBSZBNZADQ-BPQIPLTHSA-N 2 1 330.476 1.855 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC2CC[NH+](CC)CC2)CC1 ZINC000583650157 326112291 /nfs/dbraw/zinc/11/22/91/326112291.db2.gz KLLGTMGYJCDLAS-UHFFFAOYSA-N 2 1 326.485 1.082 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000583829900 326148533 /nfs/dbraw/zinc/14/85/33/326148533.db2.gz WCTIMZYGQAENMW-YOEHRIQHSA-N 2 1 344.459 1.417 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000583829900 326148536 /nfs/dbraw/zinc/14/85/36/326148536.db2.gz WCTIMZYGQAENMW-YOEHRIQHSA-N 2 1 344.459 1.417 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000583829900 326148539 /nfs/dbraw/zinc/14/85/39/326148539.db2.gz WCTIMZYGQAENMW-YOEHRIQHSA-N 2 1 344.459 1.417 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000583829900 326148542 /nfs/dbraw/zinc/14/85/42/326148542.db2.gz WCTIMZYGQAENMW-YOEHRIQHSA-N 2 1 344.459 1.417 20 0 EDADMP CN1CCN(c2cc(C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000365225302 446087802 /nfs/dbraw/zinc/08/78/02/446087802.db2.gz LZLKAENWHOJUFW-QGZVFWFLSA-N 2 1 343.475 1.144 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000365225302 446087813 /nfs/dbraw/zinc/08/78/13/446087813.db2.gz LZLKAENWHOJUFW-QGZVFWFLSA-N 2 1 343.475 1.144 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000365225302 446087815 /nfs/dbraw/zinc/08/78/15/446087815.db2.gz LZLKAENWHOJUFW-QGZVFWFLSA-N 2 1 343.475 1.144 20 0 EDADMP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000351474765 446075223 /nfs/dbraw/zinc/07/52/23/446075223.db2.gz GROKKULGPLVIPG-JQHSSLGASA-N 2 1 331.460 1.759 20 0 EDADMP CC(C)Oc1cccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000351474765 446075228 /nfs/dbraw/zinc/07/52/28/446075228.db2.gz GROKKULGPLVIPG-JQHSSLGASA-N 2 1 331.460 1.759 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000369332413 446078684 /nfs/dbraw/zinc/07/86/84/446078684.db2.gz SFFFCXUZJPSBMN-MRXNPFEDSA-N 2 1 347.507 1.589 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000369332413 446078690 /nfs/dbraw/zinc/07/86/90/446078690.db2.gz SFFFCXUZJPSBMN-MRXNPFEDSA-N 2 1 347.507 1.589 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000365210012 446080728 /nfs/dbraw/zinc/08/07/28/446080728.db2.gz YMZJWLWAPRNTPK-MRXNPFEDSA-N 2 1 349.479 1.382 20 0 EDADMP CC[C@@H](C(=O)N[C@H]1CC[NH+](CCOC)C1)[N@@H+](C)Cc1ccccc1 ZINC000354286255 446081765 /nfs/dbraw/zinc/08/17/65/446081765.db2.gz XGBOWLXDECORPK-ROUUACIJSA-N 2 1 333.476 1.734 20 0 EDADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCOC)C1)[NH+](C)Cc1ccccc1 ZINC000354286255 446081770 /nfs/dbraw/zinc/08/17/70/446081770.db2.gz XGBOWLXDECORPK-ROUUACIJSA-N 2 1 333.476 1.734 20 0 EDADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCOC)C1)[NH+](C)Cc1ccccc1 ZINC000354286255 446081777 /nfs/dbraw/zinc/08/17/77/446081777.db2.gz XGBOWLXDECORPK-ROUUACIJSA-N 2 1 333.476 1.734 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000369347857 446091550 /nfs/dbraw/zinc/09/15/50/446091550.db2.gz RAYSLUUFOGJHHC-MRXNPFEDSA-N 2 1 347.507 1.432 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351493663 446096986 /nfs/dbraw/zinc/09/69/86/446096986.db2.gz MUTRMHJRJMXHEB-WBAXXEDZSA-N 2 1 347.459 1.249 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351493663 446096992 /nfs/dbraw/zinc/09/69/92/446096992.db2.gz MUTRMHJRJMXHEB-WBAXXEDZSA-N 2 1 347.459 1.249 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000356894384 446101507 /nfs/dbraw/zinc/10/15/07/446101507.db2.gz LBBONSUXGBSFTQ-IRXDYDNUSA-N 2 1 327.513 1.802 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365277290 446121758 /nfs/dbraw/zinc/12/17/58/446121758.db2.gz TTXRBPAEJZNDPZ-ZACQAIPSSA-N 2 1 335.492 1.430 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000365407272 446192553 /nfs/dbraw/zinc/19/25/53/446192553.db2.gz ZBDWKLCRDZTGJW-KRWDZBQOSA-N 2 1 348.491 1.937 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000365407272 446192558 /nfs/dbraw/zinc/19/25/58/446192558.db2.gz ZBDWKLCRDZTGJW-KRWDZBQOSA-N 2 1 348.491 1.937 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369683112 446146563 /nfs/dbraw/zinc/14/65/63/446146563.db2.gz IYJLDSADZXEPHN-AWEZNQCLSA-N 2 1 336.484 2.002 20 0 EDADMP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000365325664 446148068 /nfs/dbraw/zinc/14/80/68/446148068.db2.gz KPIMINGKLWANIO-NSHGMRRFSA-N 2 1 343.471 1.224 20 0 EDADMP COCCCC[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000373412968 446207070 /nfs/dbraw/zinc/20/70/70/446207070.db2.gz ONTGTYSMTCMJCX-GJZGRUSLSA-N 2 1 339.459 1.818 20 0 EDADMP COCCCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000373412968 446207076 /nfs/dbraw/zinc/20/70/76/446207076.db2.gz ONTGTYSMTCMJCX-GJZGRUSLSA-N 2 1 339.459 1.818 20 0 EDADMP C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000373447496 446220695 /nfs/dbraw/zinc/22/06/95/446220695.db2.gz JOXBZLNFOOTLHR-VSZNYVQBSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000373447496 446220700 /nfs/dbraw/zinc/22/07/00/446220700.db2.gz JOXBZLNFOOTLHR-VSZNYVQBSA-N 2 1 337.508 1.724 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000366516583 446245660 /nfs/dbraw/zinc/24/56/60/446245660.db2.gz GQCQRBVKXDYMBI-WFFDWFOESA-N 2 1 349.519 1.866 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(c3ccccn3)C2)[C@H](C)C1 ZINC000373574625 446266992 /nfs/dbraw/zinc/26/69/92/446266992.db2.gz IMDDLBXMEBATFG-IXDOHACOSA-N 2 1 346.475 1.212 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCCN(c3ccccn3)C2)[C@H](C)C1 ZINC000373574625 446266994 /nfs/dbraw/zinc/26/69/94/446266994.db2.gz IMDDLBXMEBATFG-IXDOHACOSA-N 2 1 346.475 1.212 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCCCN1CCOCC1 ZINC000359516788 446271046 /nfs/dbraw/zinc/27/10/46/446271046.db2.gz NAYUIFNLGBNSLN-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCCC[NH+]1CCOCC1 ZINC000359516788 446271052 /nfs/dbraw/zinc/27/10/52/446271052.db2.gz NAYUIFNLGBNSLN-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCCC[NH+]1CCOCC1 ZINC000359516788 446271058 /nfs/dbraw/zinc/27/10/58/446271058.db2.gz NAYUIFNLGBNSLN-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP CN(C)Cc1cc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)no1 ZINC000359560426 446291145 /nfs/dbraw/zinc/29/11/45/446291145.db2.gz GSDHRJFPAWQBIG-NVXWUHKLSA-N 2 1 328.416 1.564 20 0 EDADMP CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000362277030 446300500 /nfs/dbraw/zinc/30/05/00/446300500.db2.gz CKNPANRSNCQJLT-LLVKDONJSA-N 2 1 347.394 1.816 20 0 EDADMP C[C@H](C(=O)N1CCC[NH+](CC(C)(C)O)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000366687355 446310927 /nfs/dbraw/zinc/31/09/27/446310927.db2.gz MZCACOUVYNCXCN-OWCLPIDISA-N 2 1 325.497 1.553 20 0 EDADMP C[C@H](C(=O)N1CCC[N@H+](CC(C)(C)O)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000366687355 446310932 /nfs/dbraw/zinc/31/09/32/446310932.db2.gz MZCACOUVYNCXCN-OWCLPIDISA-N 2 1 325.497 1.553 20 0 EDADMP C[C@H](C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000366687355 446310936 /nfs/dbraw/zinc/31/09/36/446310936.db2.gz MZCACOUVYNCXCN-OWCLPIDISA-N 2 1 325.497 1.553 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370568527 446335313 /nfs/dbraw/zinc/33/53/13/446335313.db2.gz JGZQKKDWPSTKIP-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NCC[N@@H+]1CCc2sccc2C1)C1CCCC1 ZINC000417274313 446337711 /nfs/dbraw/zinc/33/77/11/446337711.db2.gz UTIGDMJEVSTDDA-OAHLLOKOSA-N 2 1 336.505 1.923 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NCC[N@H+]1CCc2sccc2C1)C1CCCC1 ZINC000417274313 446337713 /nfs/dbraw/zinc/33/77/13/446337713.db2.gz UTIGDMJEVSTDDA-OAHLLOKOSA-N 2 1 336.505 1.923 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000417273492 446337723 /nfs/dbraw/zinc/33/77/23/446337723.db2.gz XCSRWGFOBVFMTM-CRAIPNDOSA-N 2 1 346.475 1.411 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000417273492 446337727 /nfs/dbraw/zinc/33/77/27/446337727.db2.gz XCSRWGFOBVFMTM-CRAIPNDOSA-N 2 1 346.475 1.411 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@@H]1CCC[NH2+]1 ZINC000417509562 446358045 /nfs/dbraw/zinc/35/80/45/446358045.db2.gz VSJCWYYVEOFXEL-ROUUACIJSA-N 2 1 330.476 1.602 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000417516591 446359934 /nfs/dbraw/zinc/35/99/34/446359934.db2.gz OBUFLGHXYJEEJI-MSOLQXFVSA-N 2 1 348.491 1.747 20 0 EDADMP CC(C)[N@H+]1CCc2nc(CNc3ccn(CC[NH+](C)C)n3)sc2C1 ZINC000374608538 446379220 /nfs/dbraw/zinc/37/92/20/446379220.db2.gz CAEWFLBRQUWYNE-UHFFFAOYSA-N 2 1 348.520 2.280 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000431790337 446433737 /nfs/dbraw/zinc/43/37/37/446433737.db2.gz XEMXFWNUDLUREC-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)CC1 ZINC000366973623 446436064 /nfs/dbraw/zinc/43/60/64/446436064.db2.gz BAAYWKQOKZMAQE-LPHOPBHVSA-N 2 1 331.460 1.036 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000370789271 446442728 /nfs/dbraw/zinc/44/27/28/446442728.db2.gz WMOUUZOKFHXTHO-DLBZAZTESA-N 2 1 333.501 1.814 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417972862 446404534 /nfs/dbraw/zinc/40/45/34/446404534.db2.gz BUPLKIZNGNUGQJ-KBAYOESNSA-N 2 1 330.476 1.900 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000417984144 446407374 /nfs/dbraw/zinc/40/73/74/446407374.db2.gz CRNNZVBIQYOHAY-RHSMWYFYSA-N 2 1 334.464 1.050 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@@H](C)C[NH2+]1 ZINC000417989375 446408640 /nfs/dbraw/zinc/40/86/40/446408640.db2.gz JKYXJRPYELBLLK-VKJFTORMSA-N 2 1 346.475 1.145 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000418006859 446413619 /nfs/dbraw/zinc/41/36/19/446413619.db2.gz FMPGLYAMXGJCOG-NJAFHUGGSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H](NC(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418006564 446413979 /nfs/dbraw/zinc/41/39/79/446413979.db2.gz MMYCJSJBSAXSSN-XYVMCAHJSA-N 2 1 330.476 1.886 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418009179 446414529 /nfs/dbraw/zinc/41/45/29/446414529.db2.gz HVSHWWFTDDHKKI-BGTYHANMSA-N 2 1 330.476 1.934 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000418014356 446416382 /nfs/dbraw/zinc/41/63/82/446416382.db2.gz OEGZCGYDOKQFLV-CRAIPNDOSA-N 2 1 330.476 1.900 20 0 EDADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H](C)CC[N@@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC000411181005 446420151 /nfs/dbraw/zinc/42/01/51/446420151.db2.gz OFEALWKCUPFSRB-PHZGNYQRSA-N 2 1 340.464 1.393 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](CC[C@@H](C)CC[NH+]2CC[C@H](C(=O)OC)C2)C1 ZINC000411181005 446420155 /nfs/dbraw/zinc/42/01/55/446420155.db2.gz OFEALWKCUPFSRB-PHZGNYQRSA-N 2 1 340.464 1.393 20 0 EDADMP COC(=O)[C@@H]1CC[N@H+](CC[C@@H](C)CC[NH+]2CC[C@H](C(=O)OC)C2)C1 ZINC000411181005 446420157 /nfs/dbraw/zinc/42/01/57/446420157.db2.gz OFEALWKCUPFSRB-PHZGNYQRSA-N 2 1 340.464 1.393 20 0 EDADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420301377 446464478 /nfs/dbraw/zinc/46/44/78/446464478.db2.gz VQWAZGOLZLYLKB-INIZCTEOSA-N 2 1 339.480 1.254 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@]2([NH+](C)C)CCCSC2)C1 ZINC000367019181 446466349 /nfs/dbraw/zinc/46/63/49/446466349.db2.gz GTIZOYZEVZUHBN-RDJZCZTQSA-N 2 1 327.538 1.908 20 0 EDADMP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420304474 446468000 /nfs/dbraw/zinc/46/80/00/446468000.db2.gz IYSNFQQISTUIIS-UHFFFAOYSA-N 2 1 345.443 1.512 20 0 EDADMP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000420306006 446469993 /nfs/dbraw/zinc/46/99/93/446469993.db2.gz HEWCBUHARSDQJW-CQSZACIVSA-N 2 1 333.432 1.863 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CCO)[NH+]1CCCCC1 ZINC000452800579 446475480 /nfs/dbraw/zinc/47/54/80/446475480.db2.gz RSSFWJXSKPCEMX-IAGOWNOFSA-N 2 1 325.497 1.460 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CCCc2ccncc2)C1)[C@@H]1CCC[NH2+]1 ZINC000420312023 446475901 /nfs/dbraw/zinc/47/59/01/446475901.db2.gz HPGZDEWDBBIIEN-MSOLQXFVSA-N 2 1 330.476 1.594 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423308030 446482634 /nfs/dbraw/zinc/48/26/34/446482634.db2.gz XBDQVKWOJJLVCT-IYBDPMFKSA-N 2 1 333.476 1.678 20 0 EDADMP COC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321966 446488380 /nfs/dbraw/zinc/48/83/80/446488380.db2.gz DLTRALYDPGHLSB-LSDHHAIUSA-N 2 1 345.443 1.733 20 0 EDADMP CC(C)[C@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)[C@@H](C)[NH3+] ZINC000423333380 446491408 /nfs/dbraw/zinc/49/14/08/446491408.db2.gz ROEQLPJUVYVCSD-COXVUDFISA-N 2 1 346.475 1.694 20 0 EDADMP CC(C)[C@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)[C@@H](C)[NH3+] ZINC000423333380 446491417 /nfs/dbraw/zinc/49/14/17/446491417.db2.gz ROEQLPJUVYVCSD-COXVUDFISA-N 2 1 346.475 1.694 20 0 EDADMP COC[C@]1(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CC[NH2+]C1 ZINC000423334853 446492786 /nfs/dbraw/zinc/49/27/86/446492786.db2.gz STEVYLUZQBJGQY-GUYCJALGSA-N 2 1 337.489 1.237 20 0 EDADMP COC[C@]1(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CC[NH2+]C1 ZINC000423334853 446492795 /nfs/dbraw/zinc/49/27/95/446492795.db2.gz STEVYLUZQBJGQY-GUYCJALGSA-N 2 1 337.489 1.237 20 0 EDADMP C[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1cccs1 ZINC000420327149 446495526 /nfs/dbraw/zinc/49/55/26/446495526.db2.gz KRXAMCAUHABDSH-KBPBESRZSA-N 2 1 337.489 1.613 20 0 EDADMP C[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1cccs1 ZINC000420327149 446495533 /nfs/dbraw/zinc/49/55/33/446495533.db2.gz KRXAMCAUHABDSH-KBPBESRZSA-N 2 1 337.489 1.613 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000420334391 446504046 /nfs/dbraw/zinc/50/40/46/446504046.db2.gz UISVRYLMXBZGAV-OWSLCNJRSA-N 2 1 335.492 1.478 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418368566 446516157 /nfs/dbraw/zinc/51/61/57/446516157.db2.gz MVNYEDJAWVOWGS-WMZOPIPTSA-N 2 1 330.476 1.902 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+]([C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000420336917 446506529 /nfs/dbraw/zinc/50/65/29/446506529.db2.gz QNBJOUXEOSAWEC-NXHRZFHOSA-N 2 1 347.434 1.759 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CC(=O)Nc2ccccc21 ZINC000420339522 446509570 /nfs/dbraw/zinc/50/95/70/446509570.db2.gz LXNGICWQDNKAOC-LSDHHAIUSA-N 2 1 342.443 1.293 20 0 EDADMP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420330989 446500614 /nfs/dbraw/zinc/50/06/14/446500614.db2.gz IORUFJHTPDQHJW-HDICACEKSA-N 2 1 345.487 1.845 20 0 EDADMP CN1CCNC[C@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423518453 446559135 /nfs/dbraw/zinc/55/91/35/446559135.db2.gz OSHITELUXYIWQG-MHJFOBGBSA-N 2 1 330.520 1.923 20 0 EDADMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423518453 446559144 /nfs/dbraw/zinc/55/91/44/446559144.db2.gz OSHITELUXYIWQG-MHJFOBGBSA-N 3 1 330.520 1.923 20 0 EDADMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423518453 446559153 /nfs/dbraw/zinc/55/91/53/446559153.db2.gz OSHITELUXYIWQG-MHJFOBGBSA-N 3 1 330.520 1.923 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423398217 446516900 /nfs/dbraw/zinc/51/69/00/446516900.db2.gz VDADGQWGEVHWIU-NFAWXSAZSA-N 2 1 325.478 1.728 20 0 EDADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000420345450 446517221 /nfs/dbraw/zinc/51/72/21/446517221.db2.gz VLCIKWQAVFLLHP-BBWFWOEESA-N 2 1 329.444 1.038 20 0 EDADMP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(OC)c1 ZINC000420345563 446518685 /nfs/dbraw/zinc/51/86/85/446518685.db2.gz VTPIEDBYSHEISO-SOUVJXGZSA-N 2 1 347.459 1.962 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000418375617 446520076 /nfs/dbraw/zinc/52/00/76/446520076.db2.gz DZJRJADJJKUIEN-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)C1CCCCC1 ZINC000418377700 446520701 /nfs/dbraw/zinc/52/07/01/446520701.db2.gz JFOAWEMBQDJGGC-HZPDHXFCSA-N 2 1 326.485 1.040 20 0 EDADMP [NH3+]C1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000418389348 446524614 /nfs/dbraw/zinc/52/46/14/446524614.db2.gz RNXPNRUOFDAAAG-OPQOLIRYSA-N 2 1 346.475 1.191 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423418140 446525228 /nfs/dbraw/zinc/52/52/28/446525228.db2.gz UGAGSRAHUBSZGZ-MSOLQXFVSA-N 2 1 345.491 1.802 20 0 EDADMP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420348433 446525951 /nfs/dbraw/zinc/52/59/51/446525951.db2.gz LPXHLAQIUZBPOD-CRAIPNDOSA-N 2 1 330.476 1.556 20 0 EDADMP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420348433 446525954 /nfs/dbraw/zinc/52/59/54/446525954.db2.gz LPXHLAQIUZBPOD-CRAIPNDOSA-N 2 1 330.476 1.556 20 0 EDADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000418394681 446526086 /nfs/dbraw/zinc/52/60/86/446526086.db2.gz YDUJEFJZGLQIQW-SFHVURJKSA-N 2 1 330.476 1.999 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@H]([NH3+])C(C)C)CC2)cn1 ZINC000418404761 446532436 /nfs/dbraw/zinc/53/24/36/446532436.db2.gz KUQLZKDSKSLTQB-INIZCTEOSA-N 2 1 336.484 1.104 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)NC[C@H]([NH3+])C(C)C)CC2)cn1 ZINC000418404761 446532441 /nfs/dbraw/zinc/53/24/41/446532441.db2.gz KUQLZKDSKSLTQB-INIZCTEOSA-N 2 1 336.484 1.104 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420362202 446541546 /nfs/dbraw/zinc/54/15/46/446541546.db2.gz IMMHNRXJOJCXLW-QGZVFWFLSA-N 2 1 340.489 1.966 20 0 EDADMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423443363 446541609 /nfs/dbraw/zinc/54/16/09/446541609.db2.gz XDJPRGGMYSGURP-AQUOVQTQSA-N 2 1 329.213 1.745 20 0 EDADMP Cc1cnoc1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371071419 446610285 /nfs/dbraw/zinc/61/02/85/446610285.db2.gz BFWIZDMJJXGTCX-UHFFFAOYSA-N 2 1 334.464 1.909 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CCc3cccs3)CC2)CC[NH2+]1 ZINC000418605132 446612031 /nfs/dbraw/zinc/61/20/31/446612031.db2.gz PNBVEBFROFKCCD-CABCVRRESA-N 2 1 336.505 1.758 20 0 EDADMP [NH3+]C1(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CCC1 ZINC000418507241 446571150 /nfs/dbraw/zinc/57/11/50/446571150.db2.gz IMUCIWJHNOIOBS-DLBZAZTESA-N 2 1 346.475 1.050 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)CC2)c1 ZINC000420397807 446571233 /nfs/dbraw/zinc/57/12/33/446571233.db2.gz GHMBVIBBCRIEMK-MSOLQXFVSA-N 2 1 344.503 1.560 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)CC2)c1 ZINC000420397807 446571239 /nfs/dbraw/zinc/57/12/39/446571239.db2.gz GHMBVIBBCRIEMK-MSOLQXFVSA-N 2 1 344.503 1.560 20 0 EDADMP O=C1N[C@H]2C[N@@H+](CCCc3ccsc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420397243 446571594 /nfs/dbraw/zinc/57/15/94/446571594.db2.gz FKGOKZYQGUOWLA-DLBZAZTESA-N 2 1 348.516 1.901 20 0 EDADMP CCCCOc1cccc(CNC(=O)C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000420408454 446581636 /nfs/dbraw/zinc/58/16/36/446581636.db2.gz WBTGJKPBHIKHOU-UHFFFAOYSA-N 2 1 349.475 1.267 20 0 EDADMP O=C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@H]1CCOc2ccccc21 ZINC000376576399 446585726 /nfs/dbraw/zinc/58/57/26/446585726.db2.gz QSGXATMSDUGCOC-VYDXJSESSA-N 2 1 329.444 1.843 20 0 EDADMP O=C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)N[C@H]1CCOc2ccccc21 ZINC000376576399 446585732 /nfs/dbraw/zinc/58/57/32/446585732.db2.gz QSGXATMSDUGCOC-VYDXJSESSA-N 2 1 329.444 1.843 20 0 EDADMP C[C@@H]1CCN(C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418544155 446588454 /nfs/dbraw/zinc/58/84/54/446588454.db2.gz UEPNIGWVUQIBHN-CQSZACIVSA-N 2 1 340.418 1.886 20 0 EDADMP C[C@@H]1CCN(C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000418544155 446588459 /nfs/dbraw/zinc/58/84/59/446588459.db2.gz UEPNIGWVUQIBHN-CQSZACIVSA-N 2 1 340.418 1.886 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)COCC3CC3)CC2)CC1 ZINC000371086294 446619855 /nfs/dbraw/zinc/61/98/55/446619855.db2.gz KSAJCAPERCGHOO-UHFFFAOYSA-N 2 1 337.508 1.726 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418589857 446605116 /nfs/dbraw/zinc/60/51/16/446605116.db2.gz JNXJUYMCPYFIAJ-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000418593482 446606797 /nfs/dbraw/zinc/60/67/97/446606797.db2.gz RYVOGWFTLNJTHQ-KLHDSHLOSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C[C@H]1C ZINC000418657380 446637183 /nfs/dbraw/zinc/63/71/83/446637183.db2.gz HLJIVSPDOKKPNZ-RYRKJORJSA-N 2 1 348.491 1.563 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000434362263 446641417 /nfs/dbraw/zinc/64/14/17/446641417.db2.gz BWMYPAYYLKFUJY-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000434362263 446641424 /nfs/dbraw/zinc/64/14/24/446641424.db2.gz BWMYPAYYLKFUJY-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418683856 446647261 /nfs/dbraw/zinc/64/72/61/446647261.db2.gz XOCNMLJHPPZETJ-DOTOQJQBSA-N 2 1 334.464 1.175 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418683856 446647268 /nfs/dbraw/zinc/64/72/68/446647268.db2.gz XOCNMLJHPPZETJ-DOTOQJQBSA-N 2 1 334.464 1.175 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C[C@H]1CC[NH2+]C1 ZINC000423745337 446673867 /nfs/dbraw/zinc/67/38/67/446673867.db2.gz MHABTPUSPZQYPY-CVEARBPZSA-N 2 1 339.480 1.252 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418631741 446623270 /nfs/dbraw/zinc/62/32/70/446623270.db2.gz YISILNVYSWKUFK-MRXNPFEDSA-N 2 1 326.485 1.256 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000418645858 446630070 /nfs/dbraw/zinc/63/00/70/446630070.db2.gz WQJIIQXLMZDGSJ-WMZOPIPTSA-N 2 1 330.476 1.998 20 0 EDADMP COC(=O)CNC(=O)CN1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371105396 446630875 /nfs/dbraw/zinc/63/08/75/446630875.db2.gz CLDUCOFPOFODFX-QGZVFWFLSA-N 2 1 347.459 1.262 20 0 EDADMP O=S1(=O)CCCN1C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000371110172 446634974 /nfs/dbraw/zinc/63/49/74/446634974.db2.gz XPURKTHOYILAAM-MYBQVCMBSA-N 2 1 341.521 1.550 20 0 EDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000423769062 446696595 /nfs/dbraw/zinc/69/65/95/446696595.db2.gz YCQYMABFMYVFRP-INIZCTEOSA-N 2 1 348.495 1.539 20 0 EDADMP CC[C@@H]1CN(C(=O)C2(OC)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423818451 446706867 /nfs/dbraw/zinc/70/68/67/446706867.db2.gz DKWVWLTWPKLPDS-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP CC[C@@H]1CN(C(=O)C2(OC)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423818451 446706872 /nfs/dbraw/zinc/70/68/72/446706872.db2.gz DKWVWLTWPKLPDS-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(c3cc(C)nc(OC)n3)CC2)CC1 ZINC000420626967 446709466 /nfs/dbraw/zinc/70/94/66/446709466.db2.gz MTWLBFYDTNEKRD-UHFFFAOYSA-N 2 1 333.480 1.790 20 0 EDADMP CCN1CCC([N@H+]2CCCN(c3cc(C)nc(OC)n3)CC2)CC1 ZINC000420626967 446709478 /nfs/dbraw/zinc/70/94/78/446709478.db2.gz MTWLBFYDTNEKRD-UHFFFAOYSA-N 2 1 333.480 1.790 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)C3([NH3+])CCC3)CC[N@H+]2C2CC2)c1 ZINC000423828605 446717657 /nfs/dbraw/zinc/71/76/57/446717657.db2.gz OHKHVXSHEDXRCK-IAGOWNOFSA-N 2 1 329.444 1.971 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3C[NH2+]CCO3)CC[N@H+]2C2CC2)c1 ZINC000423833973 446723151 /nfs/dbraw/zinc/72/31/51/446723151.db2.gz TXWIBUVWWIHMOZ-RCCFBDPRSA-N 2 1 345.443 1.078 20 0 EDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000423837817 446725444 /nfs/dbraw/zinc/72/54/44/446725444.db2.gz BSRZYPQEDKMSMK-YESZJQIVSA-N 2 1 335.423 1.094 20 0 EDADMP C[C@H]1C[C@@H](CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000423895643 446747834 /nfs/dbraw/zinc/74/78/34/446747834.db2.gz GCIHUSFZSNTXAS-DZOHQFGASA-N 2 1 331.460 1.126 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371291076 446748708 /nfs/dbraw/zinc/74/87/08/446748708.db2.gz XPRMZXABBQZBLP-INIZCTEOSA-N 3 1 339.528 1.137 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371291076 446748714 /nfs/dbraw/zinc/74/87/14/446748714.db2.gz XPRMZXABBQZBLP-INIZCTEOSA-N 2 1 339.528 1.137 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)CCC[N@H+]1C ZINC000423929469 446779968 /nfs/dbraw/zinc/77/99/68/446779968.db2.gz IYCLCOGONZHPFU-LESCRADOSA-N 2 1 333.480 1.451 20 0 EDADMP CC(C)(C)[C@@H](C[NH3+])NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000423950760 446794857 /nfs/dbraw/zinc/79/48/57/446794857.db2.gz JAAKFOZDYAOEMZ-QGZVFWFLSA-N 2 1 332.492 1.294 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424018493 446824723 /nfs/dbraw/zinc/82/47/23/446824723.db2.gz JFHOPHYQQCXBCD-QGZVFWFLSA-N 2 1 332.492 1.614 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@]1(C)C[NH3+] ZINC000423987545 446808402 /nfs/dbraw/zinc/80/84/02/446808402.db2.gz VZOLFDVJVKRJSL-HHXXYDBFSA-N 2 1 331.460 1.331 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@]1(C)C[NH3+] ZINC000423987545 446808408 /nfs/dbraw/zinc/80/84/08/446808408.db2.gz VZOLFDVJVKRJSL-HHXXYDBFSA-N 2 1 331.460 1.331 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377036075 446875500 /nfs/dbraw/zinc/87/55/00/446875500.db2.gz WRIQUCGLABVIAS-MISYRCLQSA-N 2 1 349.567 1.560 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377036075 446875506 /nfs/dbraw/zinc/87/55/06/446875506.db2.gz WRIQUCGLABVIAS-MISYRCLQSA-N 3 1 349.567 1.560 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1 ZINC000424458009 446876071 /nfs/dbraw/zinc/87/60/71/446876071.db2.gz SMHWAHBBLUKXSX-MRXNPFEDSA-N 2 1 332.448 1.191 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1 ZINC000424458009 446876079 /nfs/dbraw/zinc/87/60/79/446876079.db2.gz SMHWAHBBLUKXSX-MRXNPFEDSA-N 2 1 332.448 1.191 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCN(S(C)(=O)=O)C3)C2)CC1 ZINC000368482297 446889661 /nfs/dbraw/zinc/88/96/61/446889661.db2.gz JJPXEYXXLRXLDK-HNNXBMFYSA-N 2 1 329.510 1.076 20 0 EDADMP C[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)[C@@H](C)C[N@H+]1C ZINC000412229567 446906398 /nfs/dbraw/zinc/90/63/98/446906398.db2.gz QLFAFPRATDFTQE-YCPHGPKFSA-N 2 1 325.522 1.755 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412231416 446906418 /nfs/dbraw/zinc/90/64/18/446906418.db2.gz PVSHVGVMGDRRNO-FMKPAKJESA-N 2 1 325.522 1.755 20 0 EDADMP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442762414 446955774 /nfs/dbraw/zinc/95/57/74/446955774.db2.gz QQZVFAXLNZYIDY-NWDGAFQWSA-N 2 1 325.840 1.634 20 0 EDADMP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442762414 446955778 /nfs/dbraw/zinc/95/57/78/446955778.db2.gz QQZVFAXLNZYIDY-NWDGAFQWSA-N 2 1 325.840 1.634 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371765471 446960143 /nfs/dbraw/zinc/96/01/43/446960143.db2.gz LGGDWJKUJIBBLM-GVDBMIGSSA-N 2 1 338.496 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371765471 446960149 /nfs/dbraw/zinc/96/01/49/446960149.db2.gz LGGDWJKUJIBBLM-GVDBMIGSSA-N 2 1 338.496 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371765471 446960157 /nfs/dbraw/zinc/96/01/57/446960157.db2.gz LGGDWJKUJIBBLM-GVDBMIGSSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000442770394 446961254 /nfs/dbraw/zinc/96/12/54/446961254.db2.gz PQGFOIWOWXMKON-GJZGRUSLSA-N 2 1 334.439 1.143 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000442770394 446961256 /nfs/dbraw/zinc/96/12/56/446961256.db2.gz PQGFOIWOWXMKON-GJZGRUSLSA-N 2 1 334.439 1.143 20 0 EDADMP [NH3+]CCNC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000375732417 447008573 /nfs/dbraw/zinc/00/85/73/447008573.db2.gz QVDQYVCEWIXYDD-ZIAGYGMSSA-N 2 1 330.432 1.188 20 0 EDADMP C[C@H]1CN(C[C@H]2CN(C)CCO2)CC[N@H+]1CC[C@@H](O)c1ccccc1 ZINC000375685031 446974244 /nfs/dbraw/zinc/97/42/44/446974244.db2.gz LQAJSUYZXUFKGF-DFQSSKMNSA-N 2 1 347.503 1.447 20 0 EDADMP C[C@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1CC[C@@H](O)c1ccccc1 ZINC000375685031 446974249 /nfs/dbraw/zinc/97/42/49/446974249.db2.gz LQAJSUYZXUFKGF-DFQSSKMNSA-N 2 1 347.503 1.447 20 0 EDADMP C[C@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1CC[C@@H](O)c1ccccc1 ZINC000375685031 446974251 /nfs/dbraw/zinc/97/42/51/446974251.db2.gz LQAJSUYZXUFKGF-DFQSSKMNSA-N 2 1 347.503 1.447 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)C1 ZINC000372098755 447000403 /nfs/dbraw/zinc/00/04/03/447000403.db2.gz NCOZNFWADOKHCY-FJIDUMEYSA-N 2 1 334.508 1.146 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CCC(C)(C)O3)C2)CC1 ZINC000372485169 447081385 /nfs/dbraw/zinc/08/13/85/447081385.db2.gz PSNARULRYQFXQM-GOEBONIOSA-N 2 1 338.496 1.412 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H]3CCC(C)(C)O3)C2)CC1 ZINC000372485169 447081391 /nfs/dbraw/zinc/08/13/91/447081391.db2.gz PSNARULRYQFXQM-GOEBONIOSA-N 2 1 338.496 1.412 20 0 EDADMP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375904016 447135354 /nfs/dbraw/zinc/13/53/54/447135354.db2.gz JBGOXXOMBGJUQJ-INIZCTEOSA-N 2 1 338.521 1.319 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419386989 447143800 /nfs/dbraw/zinc/14/38/00/447143800.db2.gz AFJIDYWFHQMHMF-ZIAGYGMSSA-N 2 1 340.512 1.392 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419403719 447154147 /nfs/dbraw/zinc/15/41/47/447154147.db2.gz QLYGAVAONWVCNT-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP CO[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1)C1CC1 ZINC000425475446 447182009 /nfs/dbraw/zinc/18/20/09/447182009.db2.gz JFDGBUJPWALYAE-PKOBYXMFSA-N 2 1 337.508 1.678 20 0 EDADMP CO[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1)C1CC1 ZINC000425475446 447182016 /nfs/dbraw/zinc/18/20/16/447182016.db2.gz JFDGBUJPWALYAE-PKOBYXMFSA-N 2 1 337.508 1.678 20 0 EDADMP CO[C@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1)C1CC1 ZINC000425475446 447182021 /nfs/dbraw/zinc/18/20/21/447182021.db2.gz JFDGBUJPWALYAE-PKOBYXMFSA-N 2 1 337.508 1.678 20 0 EDADMP CO[C@H](C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1)C1CC1 ZINC000425475446 447182026 /nfs/dbraw/zinc/18/20/26/447182026.db2.gz JFDGBUJPWALYAE-PKOBYXMFSA-N 2 1 337.508 1.678 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000419428625 447169287 /nfs/dbraw/zinc/16/92/87/447169287.db2.gz ATLVZKVXXGCGPO-YYIAUSFCSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419428625 447169291 /nfs/dbraw/zinc/16/92/91/447169291.db2.gz ATLVZKVXXGCGPO-YYIAUSFCSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419428625 447169300 /nfs/dbraw/zinc/16/93/00/447169300.db2.gz ATLVZKVXXGCGPO-YYIAUSFCSA-N 2 1 340.512 1.203 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](C2CCCC2)CC1 ZINC000369046194 447285181 /nfs/dbraw/zinc/28/51/81/447285181.db2.gz DFMKNXHCMDOGSP-IRXDYDNUSA-N 2 1 336.480 1.119 20 0 EDADMP COC1([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CCCCC1 ZINC000421826672 447260671 /nfs/dbraw/zinc/26/06/71/447260671.db2.gz UHYHNTFOSNDNSV-CVEARBPZSA-N 2 1 325.497 1.901 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379682563 447453571 /nfs/dbraw/zinc/45/35/71/447453571.db2.gz XVYSCZTVCMUEBT-WMZOPIPTSA-N 2 1 330.476 1.061 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494655630 447454158 /nfs/dbraw/zinc/45/41/58/447454158.db2.gz RIVNTHDNQFHVOV-FGTMMUONSA-N 2 1 336.524 1.536 20 0 EDADMP COCCOC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000450323552 447454740 /nfs/dbraw/zinc/45/47/40/447454740.db2.gz ISIXKCCSNZDCTP-QZTJIDSGSA-N 2 1 328.497 1.454 20 0 EDADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000450351507 447463782 /nfs/dbraw/zinc/46/37/82/447463782.db2.gz VEMAAJQXNNJSPK-IEBWSBKVSA-N 2 1 345.487 1.391 20 0 EDADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Cn1cccn1 ZINC000383346436 447465094 /nfs/dbraw/zinc/46/50/94/447465094.db2.gz MQCSCERAIGNKLR-MOPGFXCFSA-N 2 1 328.460 1.746 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000388919358 447481894 /nfs/dbraw/zinc/48/18/94/447481894.db2.gz VJEQZFPKHJHVQF-PMACEKPBSA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388919358 447481900 /nfs/dbraw/zinc/48/19/00/447481900.db2.gz VJEQZFPKHJHVQF-PMACEKPBSA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388919358 447481901 /nfs/dbraw/zinc/48/19/01/447481901.db2.gz VJEQZFPKHJHVQF-PMACEKPBSA-N 2 1 349.519 1.522 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000389926178 447488933 /nfs/dbraw/zinc/48/89/33/447488933.db2.gz WKCJTCQREOOKNW-OIISXLGYSA-N 2 1 333.501 1.718 20 0 EDADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000419936377 447500397 /nfs/dbraw/zinc/50/03/97/447500397.db2.gz UDCNLZDUZKPSRI-HLLBOEOZSA-N 2 1 346.475 1.039 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390925371 447506001 /nfs/dbraw/zinc/50/60/01/447506001.db2.gz JEFWZXWZEGGOSZ-IPMKNSEASA-N 2 1 345.487 1.911 20 0 EDADMP [NH3+][C@H](CC(F)F)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000391038724 447510088 /nfs/dbraw/zinc/51/00/88/447510088.db2.gz ZTLGSFUESDTYHW-HUUCEWRRSA-N 2 1 341.402 1.376 20 0 EDADMP COc1cc2c(cc1C[N@H+]1CC[C@H](N3CC[NH2+]CC3)C1)O[C@H](C)C2 ZINC000392182013 447521333 /nfs/dbraw/zinc/52/13/33/447521333.db2.gz CWXDDOVNNQZRGW-PBHICJAKSA-N 2 1 331.460 1.498 20 0 EDADMP Cc1cc(N2CCC([NH2+][C@H]3CCC(=O)NC3(C)C)CC2)nc(C)[nH+]1 ZINC000495039195 447473312 /nfs/dbraw/zinc/47/33/12/447473312.db2.gz POEWBSLXFQJMKD-HNNXBMFYSA-N 2 1 331.464 1.709 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)COC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000398123651 447556096 /nfs/dbraw/zinc/55/60/96/447556096.db2.gz HOZDQMIDUQPTPX-NVXWUHKLSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416299391 447560113 /nfs/dbraw/zinc/56/01/13/447560113.db2.gz CUBBXUJNNGCSBG-IAGOWNOFSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416299391 447560120 /nfs/dbraw/zinc/56/01/20/447560120.db2.gz CUBBXUJNNGCSBG-IAGOWNOFSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416299391 447560126 /nfs/dbraw/zinc/56/01/26/447560126.db2.gz CUBBXUJNNGCSBG-IAGOWNOFSA-N 2 1 345.487 1.348 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000427271212 447572113 /nfs/dbraw/zinc/57/21/13/447572113.db2.gz CBOHXNRXIVHFLO-QGZVFWFLSA-N 2 1 344.503 1.440 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000459349495 447641794 /nfs/dbraw/zinc/64/17/94/447641794.db2.gz FBWSOUQRRXAAGH-INIZCTEOSA-N 2 1 334.464 1.992 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC[N@@H+]1C ZINC000420116448 447612141 /nfs/dbraw/zinc/61/21/41/447612141.db2.gz HBULBANZEXAXPL-RHSMWYFYSA-N 2 1 346.475 1.121 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC[N@H+]1C ZINC000420116448 447612145 /nfs/dbraw/zinc/61/21/45/447612145.db2.gz HBULBANZEXAXPL-RHSMWYFYSA-N 2 1 346.475 1.121 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000428423772 447699436 /nfs/dbraw/zinc/69/94/36/447699436.db2.gz RGTWVAFINLCZBI-RVKKMQEKSA-N 2 1 331.460 1.730 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000428423772 447699440 /nfs/dbraw/zinc/69/94/40/447699440.db2.gz RGTWVAFINLCZBI-RVKKMQEKSA-N 2 1 331.460 1.730 20 0 EDADMP CN(CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000495962052 447678176 /nfs/dbraw/zinc/67/81/76/447678176.db2.gz OFNRPIKDDHYBAV-FUHWJXTLSA-N 2 1 334.464 1.029 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000422642552 447686334 /nfs/dbraw/zinc/68/63/34/447686334.db2.gz ZOWCGYBOIPJNRZ-HZSPNIEDSA-N 2 1 339.430 1.929 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000422642552 447686338 /nfs/dbraw/zinc/68/63/38/447686338.db2.gz ZOWCGYBOIPJNRZ-HZSPNIEDSA-N 2 1 339.430 1.929 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000457982892 447689388 /nfs/dbraw/zinc/68/93/88/447689388.db2.gz KRQGPBKMNXELHN-GOSISDBHSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000416939115 447715599 /nfs/dbraw/zinc/71/55/99/447715599.db2.gz GWVUKORTZUFXLH-LZWOXQAQSA-N 2 1 326.485 1.302 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000416942824 447719065 /nfs/dbraw/zinc/71/90/65/447719065.db2.gz SKEDWZNPFYRICR-BZUAXINKSA-N 2 1 326.485 1.112 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000422761105 447742594 /nfs/dbraw/zinc/74/25/94/447742594.db2.gz MNLDRICNRADJDH-NVXWUHKLSA-N 2 1 332.448 1.242 20 0 EDADMP CN(C[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C(=O)OC(C)(C)C ZINC000496218129 447743989 /nfs/dbraw/zinc/74/39/89/447743989.db2.gz MGBNTZUAWSPVCU-MAUKXSAKSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C(=O)OC(C)(C)C ZINC000496218129 447743991 /nfs/dbraw/zinc/74/39/91/447743991.db2.gz MGBNTZUAWSPVCU-MAUKXSAKSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C(=O)OC(C)(C)C ZINC000496218129 447743993 /nfs/dbraw/zinc/74/39/93/447743993.db2.gz MGBNTZUAWSPVCU-MAUKXSAKSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C(=O)OC(C)(C)C ZINC000496218129 447743994 /nfs/dbraw/zinc/74/39/94/447743994.db2.gz MGBNTZUAWSPVCU-MAUKXSAKSA-N 2 1 341.496 1.632 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000496225026 447744837 /nfs/dbraw/zinc/74/48/37/447744837.db2.gz IBVQHIMRBVDKNY-HZPDHXFCSA-N 2 1 341.496 1.821 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000496225026 447744843 /nfs/dbraw/zinc/74/48/43/447744843.db2.gz IBVQHIMRBVDKNY-HZPDHXFCSA-N 2 1 341.496 1.821 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000496382854 447761971 /nfs/dbraw/zinc/76/19/71/447761971.db2.gz VQMJHMYZPBQYCP-KBPBESRZSA-N 2 1 329.485 1.989 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422841781 447766997 /nfs/dbraw/zinc/76/69/97/447766997.db2.gz DNRLSJCKKIULTK-AEFFLSMTSA-N 2 1 330.476 1.455 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccccc2F)C1 ZINC000430555450 447777761 /nfs/dbraw/zinc/77/77/61/447777761.db2.gz XKTIFNGVRSOQIP-LSDHHAIUSA-N 2 1 337.439 1.722 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)CCOc2ccccc2F)C1 ZINC000430555450 447777763 /nfs/dbraw/zinc/77/77/63/447777763.db2.gz XKTIFNGVRSOQIP-LSDHHAIUSA-N 2 1 337.439 1.722 20 0 EDADMP COc1ccc(C(=O)NCC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422948394 447778478 /nfs/dbraw/zinc/77/84/78/447778478.db2.gz RFCPHAHCVYZPBH-KXBFYZLASA-N 2 1 341.455 1.973 20 0 EDADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000430930505 447787889 /nfs/dbraw/zinc/78/78/89/447787889.db2.gz SYIGFZHACNEJJH-CYBMUJFWSA-N 2 1 332.448 1.386 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000431020167 447788669 /nfs/dbraw/zinc/78/86/69/447788669.db2.gz WZRRXMCQZPGCSO-DYVFJYSZSA-N 2 1 328.416 1.736 20 0 EDADMP CN(C[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000496704575 447852406 /nfs/dbraw/zinc/85/24/06/447852406.db2.gz YTXQLEVNFRSMPK-CVEARBPZSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000496704575 447852407 /nfs/dbraw/zinc/85/24/07/447852407.db2.gz YTXQLEVNFRSMPK-CVEARBPZSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C(=O)OC(C)(C)C ZINC000497105907 447859397 /nfs/dbraw/zinc/85/93/97/447859397.db2.gz JCGQRUCYWGIKEW-LSDHHAIUSA-N 2 1 329.485 1.488 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000549126784 447864845 /nfs/dbraw/zinc/86/48/45/447864845.db2.gz JUGUEAVGZGLEEX-WMZOPIPTSA-N 2 1 331.460 1.345 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc4ccccn34)C2)CC1 ZINC000552325942 447944582 /nfs/dbraw/zinc/94/45/82/447944582.db2.gz DOUXTRGIJBDTTJ-KRWDZBQOSA-N 2 1 327.476 1.935 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CC[NH2+]CC1 ZINC000569947819 447926616 /nfs/dbraw/zinc/92/66/16/447926616.db2.gz INSXIICQQSHYGI-QGZVFWFLSA-N 2 1 330.476 1.602 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000531064905 448013088 /nfs/dbraw/zinc/01/30/88/448013088.db2.gz SCOZGFKLAGUHLK-UYAOXDASSA-N 2 1 345.487 1.566 20 0 EDADMP CC[C@@H](CCO)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000553189617 447976345 /nfs/dbraw/zinc/97/63/45/447976345.db2.gz BEVQHHNWXSZUAR-INIZCTEOSA-N 2 1 339.524 1.708 20 0 EDADMP CSc1c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cnn1C ZINC000570337094 447991164 /nfs/dbraw/zinc/99/11/64/447991164.db2.gz YRDXDOKWDHYMAN-UHFFFAOYSA-N 2 1 346.460 1.541 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)CC2(C[NH3+])CC2)C1 ZINC000570399974 448004656 /nfs/dbraw/zinc/00/46/56/448004656.db2.gz VPKDODJFIJTZID-OAHLLOKOSA-N 2 1 344.459 1.451 20 0 EDADMP CC[NH+]1CCC(CNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000576335475 448029251 /nfs/dbraw/zinc/02/92/51/448029251.db2.gz ILEHXQNUJYZXMY-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[N@@H+](C)C1 ZINC000501728623 448096050 /nfs/dbraw/zinc/09/60/50/448096050.db2.gz MOXHEDWQMCYZBH-ILXRZTDVSA-N 2 1 328.501 1.323 20 0 EDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000526970511 448127118 /nfs/dbraw/zinc/12/71/18/448127118.db2.gz BCBLPPPSTGJVSU-MRXNPFEDSA-N 2 1 325.497 1.676 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)CC1 ZINC000497024649 448132996 /nfs/dbraw/zinc/13/29/96/448132996.db2.gz DZKPWWWXKWRQJI-MRXNPFEDSA-N 2 1 326.485 1.175 20 0 EDADMP CC[C@H](CO)N1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576954076 448180656 /nfs/dbraw/zinc/18/06/56/448180656.db2.gz DQRRVVLZXHGESX-RTBURBONSA-N 2 1 345.487 1.424 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000576954076 448180660 /nfs/dbraw/zinc/18/06/60/448180660.db2.gz DQRRVVLZXHGESX-RTBURBONSA-N 2 1 345.487 1.424 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576954076 448180664 /nfs/dbraw/zinc/18/06/64/448180664.db2.gz DQRRVVLZXHGESX-RTBURBONSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCCO1 ZINC000571626099 448181064 /nfs/dbraw/zinc/18/10/64/448181064.db2.gz SPOJXRZVMXUSFQ-FUHWJXTLSA-N 2 1 338.496 1.272 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000532010738 448182674 /nfs/dbraw/zinc/18/26/74/448182674.db2.gz SUHLTYAORQWHIP-OIISXLGYSA-N 2 1 338.496 1.005 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCCC[NH2+]C1CC1 ZINC000571689369 448191370 /nfs/dbraw/zinc/19/13/70/448191370.db2.gz VZEXQQQTWJJRJE-GOSISDBHSA-N 2 1 331.460 1.536 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCC[NH2+]C1CC1 ZINC000571689369 448191374 /nfs/dbraw/zinc/19/13/74/448191374.db2.gz VZEXQQQTWJJRJE-GOSISDBHSA-N 2 1 331.460 1.536 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CCOC4(CCC4)C3)cn2)CC1 ZINC000577031094 448195772 /nfs/dbraw/zinc/19/57/72/448195772.db2.gz GSNIEBRRHWGPKK-INIZCTEOSA-N 2 1 345.491 1.667 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000532077684 448196455 /nfs/dbraw/zinc/19/64/55/448196455.db2.gz VFVOHYMAKXWCNI-AYBZRNKSSA-N 2 1 342.487 1.893 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000532077684 448196460 /nfs/dbraw/zinc/19/64/60/448196460.db2.gz VFVOHYMAKXWCNI-AYBZRNKSSA-N 2 1 342.487 1.893 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)C3)cc2)C[C@H](C)O1 ZINC000591097609 448259897 /nfs/dbraw/zinc/25/98/97/448259897.db2.gz PCVHBSMOJMGEKF-JTDSTZFVSA-N 2 1 345.487 1.864 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)C[C@H](C)O1 ZINC000591097609 448259902 /nfs/dbraw/zinc/25/99/02/448259902.db2.gz PCVHBSMOJMGEKF-JTDSTZFVSA-N 2 1 345.487 1.864 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)C[C@H](C)O1 ZINC000591097609 448259910 /nfs/dbraw/zinc/25/99/10/448259910.db2.gz PCVHBSMOJMGEKF-JTDSTZFVSA-N 2 1 345.487 1.864 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000572097548 448283224 /nfs/dbraw/zinc/28/32/24/448283224.db2.gz YBLPKBIFSKKAMR-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@@H]1CN(C)CCN1C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000572097548 448283230 /nfs/dbraw/zinc/28/32/30/448283230.db2.gz YBLPKBIFSKKAMR-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N(C)CCC[NH3+])cc2)CC1 ZINC000572102926 448285548 /nfs/dbraw/zinc/28/55/48/448285548.db2.gz BALZSRGRQVLQBI-UHFFFAOYSA-N 2 1 347.507 1.314 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000515373666 448302524 /nfs/dbraw/zinc/30/25/24/448302524.db2.gz DVUXZHGVWFUUHZ-MSOLQXFVSA-N 2 1 344.459 1.415 20 0 EDADMP COC(=O)CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000591272098 448302908 /nfs/dbraw/zinc/30/29/08/448302908.db2.gz NDTSGYDENPITOM-KRWDZBQOSA-N 2 1 347.459 1.249 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC000527768070 448357216 /nfs/dbraw/zinc/35/72/16/448357216.db2.gz DLOVZWXBSZTNOE-WBVHZDCISA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527768070 448357220 /nfs/dbraw/zinc/35/72/20/448357220.db2.gz DLOVZWXBSZTNOE-WBVHZDCISA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527768070 448357227 /nfs/dbraw/zinc/35/72/27/448357227.db2.gz DLOVZWXBSZTNOE-WBVHZDCISA-N 2 1 338.496 1.413 20 0 EDADMP COc1cc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)ccc1OCC[NH+](C)C ZINC000591447029 448366233 /nfs/dbraw/zinc/36/62/33/448366233.db2.gz TYXVXHBEKQQHOQ-OAHLLOKOSA-N 2 1 335.448 1.204 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000516263441 448405878 /nfs/dbraw/zinc/40/58/78/448405878.db2.gz OZWGECAUAYPVBC-BDXSIMOUSA-N 2 1 343.475 1.295 20 0 EDADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC(F)(F)C[NH3+] ZINC000572418935 448373747 /nfs/dbraw/zinc/37/37/47/448373747.db2.gz LXVNMDUKEXVSST-OAHLLOKOSA-N 2 1 325.403 1.951 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC(F)(F)C[NH3+] ZINC000572418935 448373752 /nfs/dbraw/zinc/37/37/52/448373752.db2.gz LXVNMDUKEXVSST-OAHLLOKOSA-N 2 1 325.403 1.951 20 0 EDADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572841200 448476754 /nfs/dbraw/zinc/47/67/54/448476754.db2.gz HIMFWKJPYCTPEL-WHBLYCTDSA-N 2 1 343.471 1.520 20 0 EDADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572841200 448476759 /nfs/dbraw/zinc/47/67/59/448476759.db2.gz HIMFWKJPYCTPEL-WHBLYCTDSA-N 2 1 343.471 1.520 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000572855472 448482528 /nfs/dbraw/zinc/48/25/28/448482528.db2.gz ZQJLWOBXDYSYJU-ZIAGYGMSSA-N 2 1 336.505 1.794 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000572855472 448482532 /nfs/dbraw/zinc/48/25/32/448482532.db2.gz ZQJLWOBXDYSYJU-ZIAGYGMSSA-N 2 1 336.505 1.794 20 0 EDADMP NC(=O)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000591759457 448483507 /nfs/dbraw/zinc/48/35/07/448483507.db2.gz RFRCYZRKNCKKDG-GVDBMIGSSA-N 2 1 344.459 1.462 20 0 EDADMP C[C@@H]1CN(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000572977449 448512800 /nfs/dbraw/zinc/51/28/00/448512800.db2.gz YLJODLQGRWOLLD-IIDMSEBBSA-N 2 1 338.496 1.208 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)C(=O)OC)CC2)CC1 ZINC000516980402 448516170 /nfs/dbraw/zinc/51/61/70/448516170.db2.gz ZSAYCGYFVZMYQT-UHFFFAOYSA-N 2 1 339.480 1.251 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000528413669 448518504 /nfs/dbraw/zinc/51/85/04/448518504.db2.gz DBZKGTJJUHTVBQ-GOSISDBHSA-N 2 1 326.444 1.872 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000528413669 448518511 /nfs/dbraw/zinc/51/85/11/448518511.db2.gz DBZKGTJJUHTVBQ-GOSISDBHSA-N 2 1 326.444 1.872 20 0 EDADMP COc1cccc(NC(=O)CC[NH+]2CCC(CO)([NH2+]C(C)C)CC2)c1 ZINC000578519107 448569056 /nfs/dbraw/zinc/56/90/56/448569056.db2.gz PBZCVRUPQQVQDP-UHFFFAOYSA-N 2 1 349.475 1.849 20 0 EDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000578545057 448576201 /nfs/dbraw/zinc/57/62/01/448576201.db2.gz CMOGZASKESTQSZ-GJZGRUSLSA-N 2 1 344.459 1.954 20 0 EDADMP C[C@@H]1CC2(C[N@@H+]1Cc1nnnn1Cc1ccccc1)CC[NH2+]CC2 ZINC000517125248 448540490 /nfs/dbraw/zinc/54/04/90/448540490.db2.gz ILQCYXSAEDQKJU-OAHLLOKOSA-N 2 1 326.448 1.685 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1Cc1nnnn1Cc1ccccc1)CC[NH2+]CC2 ZINC000517125248 448540491 /nfs/dbraw/zinc/54/04/91/448540491.db2.gz ILQCYXSAEDQKJU-OAHLLOKOSA-N 2 1 326.448 1.685 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000584719686 448608596 /nfs/dbraw/zinc/60/85/96/448608596.db2.gz XZQFWVCDPGYAAV-MRXNPFEDSA-N 2 1 327.432 1.248 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000578740385 448622737 /nfs/dbraw/zinc/62/27/37/448622737.db2.gz FGQHQOJGTGXYSW-OKYOBFRVSA-N 2 1 341.540 1.557 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000578569725 448581087 /nfs/dbraw/zinc/58/10/87/448581087.db2.gz RMCOTZINJQTEHZ-CVEARBPZSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000578569725 448581091 /nfs/dbraw/zinc/58/10/91/448581091.db2.gz RMCOTZINJQTEHZ-CVEARBPZSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000578569725 448581099 /nfs/dbraw/zinc/58/10/99/448581099.db2.gz RMCOTZINJQTEHZ-CVEARBPZSA-N 2 1 340.512 1.347 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC2)[C@@H](C)C1 ZINC000517495979 448586507 /nfs/dbraw/zinc/58/65/07/448586507.db2.gz XTBNLZWXVPNEPM-ROUUACIJSA-N 2 1 339.524 1.578 20 0 EDADMP C[C@@H]1CC[NH2+]CC[C@@H]1NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000567226800 448643111 /nfs/dbraw/zinc/64/31/11/448643111.db2.gz FFLHQOJVNPHOEL-MJGOQNOKSA-N 2 1 330.520 1.958 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)C[C@H](C)O1 ZINC000540907943 448653584 /nfs/dbraw/zinc/65/35/84/448653584.db2.gz MRZSCSJQHPNEGS-JZXOWHBKSA-N 2 1 337.508 1.819 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000584860328 448659357 /nfs/dbraw/zinc/65/93/57/448659357.db2.gz BILGYRSCEBKHRD-JKSUJKDBSA-N 2 1 343.537 1.655 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000584860328 448659361 /nfs/dbraw/zinc/65/93/61/448659361.db2.gz BILGYRSCEBKHRD-JKSUJKDBSA-N 2 1 343.537 1.655 20 0 EDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000584860328 448659363 /nfs/dbraw/zinc/65/93/63/448659363.db2.gz BILGYRSCEBKHRD-JKSUJKDBSA-N 2 1 343.537 1.655 20 0 EDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000584860328 448659369 /nfs/dbraw/zinc/65/93/69/448659369.db2.gz BILGYRSCEBKHRD-JKSUJKDBSA-N 2 1 343.537 1.655 20 0 EDADMP CCc1nc(C)c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)o1 ZINC000567311287 448661417 /nfs/dbraw/zinc/66/14/17/448661417.db2.gz GYEKRIKFNOIAOO-UHFFFAOYSA-N 2 1 329.404 1.945 20 0 EDADMP CCCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000592024677 448633429 /nfs/dbraw/zinc/63/34/29/448633429.db2.gz TYZNXGRJRWNCDF-OAHLLOKOSA-N 2 1 342.553 1.940 20 0 EDADMP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000518499065 448685682 /nfs/dbraw/zinc/68/56/82/448685682.db2.gz GLNICFQZGFCDKB-SJORKVTESA-N 2 1 348.516 1.737 20 0 EDADMP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000518499065 448685684 /nfs/dbraw/zinc/68/56/84/448685684.db2.gz GLNICFQZGFCDKB-SJORKVTESA-N 2 1 348.516 1.737 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000541720847 448686998 /nfs/dbraw/zinc/68/69/98/448686998.db2.gz CLTANDABJQREEG-UYAOXDASSA-N 2 1 345.487 1.472 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000541720847 448687003 /nfs/dbraw/zinc/68/70/03/448687003.db2.gz CLTANDABJQREEG-UYAOXDASSA-N 2 1 345.487 1.472 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000541720847 448687012 /nfs/dbraw/zinc/68/70/12/448687012.db2.gz CLTANDABJQREEG-UYAOXDASSA-N 2 1 345.487 1.472 20 0 EDADMP [NH3+][C@@H]1C[C@@H]1C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000573799005 448715869 /nfs/dbraw/zinc/71/58/69/448715869.db2.gz UWHZGPHRWODVQV-ZWKOTPCHSA-N 2 1 330.476 1.048 20 0 EDADMP C[N@H+](CCc1cccc(NC[C@@H](O)C[NH+]2CCOCC2)c1)C1CC1 ZINC000567707353 448742961 /nfs/dbraw/zinc/74/29/61/448742961.db2.gz QWXOXQRXHDZFEO-LJQANCHMSA-N 2 1 333.476 1.428 20 0 EDADMP C[N@@H+](CCc1cccc(NC[C@@H](O)C[NH+]2CCOCC2)c1)C1CC1 ZINC000567707353 448742966 /nfs/dbraw/zinc/74/29/66/448742966.db2.gz QWXOXQRXHDZFEO-LJQANCHMSA-N 2 1 333.476 1.428 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000567714661 448746716 /nfs/dbraw/zinc/74/67/16/448746716.db2.gz NKFYXSBRALJGIM-CVEARBPZSA-N 2 1 340.512 1.421 20 0 EDADMP C[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)[NH+]1CC(C)C1 ZINC000573943399 448755050 /nfs/dbraw/zinc/75/50/50/448755050.db2.gz FATTWQGYNJZMJK-SJLPKXTDSA-N 2 1 330.476 1.702 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)COc1ccccc1Cl ZINC000573966685 448759221 /nfs/dbraw/zinc/75/92/21/448759221.db2.gz IBFOHLGGYKNFRE-UONOGXRCSA-N 2 1 328.840 1.126 20 0 EDADMP CC[C@@H]1CN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C[C@@H]1O ZINC000574052297 448781022 /nfs/dbraw/zinc/78/10/22/448781022.db2.gz ZTWICSZZDKMIIL-QAPCUYQASA-N 2 1 337.508 1.412 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000529314004 448818266 /nfs/dbraw/zinc/81/82/66/448818266.db2.gz MGAVCGFQOAPDMU-KBAYOESNSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000529319728 448820429 /nfs/dbraw/zinc/82/04/29/448820429.db2.gz CIRPICXJUXCENY-CGTJXYLNSA-N 2 1 346.475 1.185 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568214727 448839085 /nfs/dbraw/zinc/83/90/85/448839085.db2.gz BMRQKQWPIMKXCU-OALUTQOASA-N 2 1 347.503 1.718 20 0 EDADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC[C@@H]1[NH3+] ZINC000592487915 448858445 /nfs/dbraw/zinc/85/84/45/448858445.db2.gz BYJYCBNDRWBZSW-LXZKKBNFSA-N 2 1 347.459 1.537 20 0 EDADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC[C@@H]1[NH3+] ZINC000592487915 448858449 /nfs/dbraw/zinc/85/84/49/448858449.db2.gz BYJYCBNDRWBZSW-LXZKKBNFSA-N 2 1 347.459 1.537 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000574640602 448922697 /nfs/dbraw/zinc/92/26/97/448922697.db2.gz LRFTYXQJRSKHRD-SOLBZPMBSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+]1CCC(n2ccc(NC(=O)NC[C@H]3CCC[N@@H+](C)C3)n2)CC1 ZINC000580809734 448957764 /nfs/dbraw/zinc/95/77/64/448957764.db2.gz YKHCSXCKNWBSKE-CQSZACIVSA-N 2 1 334.468 1.613 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)CCN2C1=O ZINC000521371822 448976291 /nfs/dbraw/zinc/97/62/91/448976291.db2.gz MILKKIQSCSSLBH-DGCLKSJQSA-N 2 1 329.322 1.329 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)CCN2C1=O ZINC000521371822 448976296 /nfs/dbraw/zinc/97/62/96/448976296.db2.gz MILKKIQSCSSLBH-DGCLKSJQSA-N 2 1 329.322 1.329 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CO1 ZINC000569236485 448988092 /nfs/dbraw/zinc/98/80/92/448988092.db2.gz QAUIQZVXTJUAFX-VPEURPPWSA-N 2 1 336.480 1.116 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(=O)N2CC[NH2+]CC2)CC1 ZINC000569349596 449009689 /nfs/dbraw/zinc/00/96/89/449009689.db2.gz SZLAFXQIQPPBKF-UHFFFAOYSA-N 3 1 344.503 1.451 20 0 EDADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(=O)N2CCNCC2)CC1 ZINC000569349596 449009692 /nfs/dbraw/zinc/00/96/92/449009692.db2.gz SZLAFXQIQPPBKF-UHFFFAOYSA-N 2 1 344.503 1.451 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(=O)N2CCNCC2)CC1 ZINC000569349596 449009697 /nfs/dbraw/zinc/00/96/97/449009697.db2.gz SZLAFXQIQPPBKF-UHFFFAOYSA-N 2 1 344.503 1.451 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)N1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000521896239 449026908 /nfs/dbraw/zinc/02/69/08/449026908.db2.gz NLVFYXPPSHLZNL-INIZCTEOSA-N 2 1 327.432 1.751 20 0 EDADMP C[C@H](CNC(=O)N1CCC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000575156790 449050956 /nfs/dbraw/zinc/05/09/56/449050956.db2.gz YIWPROFJUFZEKI-QGZVFWFLSA-N 2 1 345.491 1.202 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000575157564 449051014 /nfs/dbraw/zinc/05/10/14/449051014.db2.gz QXUOLQQPAJFNBC-NVXWUHKLSA-N 2 1 331.464 1.469 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000575157564 449051018 /nfs/dbraw/zinc/05/10/18/449051018.db2.gz QXUOLQQPAJFNBC-NVXWUHKLSA-N 2 1 331.464 1.469 20 0 EDADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592960290 449084621 /nfs/dbraw/zinc/08/46/21/449084621.db2.gz XENNWCIOHHCSNN-LSDHHAIUSA-N 2 1 342.447 1.701 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)nc1 ZINC000593731246 449165495 /nfs/dbraw/zinc/16/54/95/449165495.db2.gz VACYODIHZCSAPU-USXIJHARSA-N 2 1 333.432 1.729 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@@H]1C ZINC000595955063 449279322 /nfs/dbraw/zinc/27/93/22/449279322.db2.gz DNKMHXHPGPEDQA-WMLDXEAASA-N 2 1 345.443 1.317 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@@H]1C ZINC000595955063 449279330 /nfs/dbraw/zinc/27/93/30/449279330.db2.gz DNKMHXHPGPEDQA-WMLDXEAASA-N 2 1 345.443 1.317 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000612026655 449526347 /nfs/dbraw/zinc/52/63/47/449526347.db2.gz LIGFACSASRTMTC-OAHLLOKOSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000612026655 449526350 /nfs/dbraw/zinc/52/63/50/449526350.db2.gz LIGFACSASRTMTC-OAHLLOKOSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000612026655 449526353 /nfs/dbraw/zinc/52/63/53/449526353.db2.gz LIGFACSASRTMTC-OAHLLOKOSA-N 2 1 340.512 1.070 20 0 EDADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)C2 ZINC000598682537 449540790 /nfs/dbraw/zinc/54/07/90/449540790.db2.gz OKEFYMHUYPCVSK-QAPCUYQASA-N 2 1 330.432 1.216 20 0 EDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)C2 ZINC000598682537 449540794 /nfs/dbraw/zinc/54/07/94/449540794.db2.gz OKEFYMHUYPCVSK-QAPCUYQASA-N 2 1 330.432 1.216 20 0 EDADMP CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000596604879 449570309 /nfs/dbraw/zinc/57/03/09/449570309.db2.gz MCUHIIALLANJHZ-HNNXBMFYSA-N 2 1 342.553 1.940 20 0 EDADMP COC(=O)c1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)on1 ZINC000602455714 449601684 /nfs/dbraw/zinc/60/16/84/449601684.db2.gz SGYWUJLICIAFHG-UHFFFAOYSA-N 2 1 337.420 1.396 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccncc1Cl ZINC000617507746 449659840 /nfs/dbraw/zinc/65/98/40/449659840.db2.gz IAHPXXIVPUPOHQ-ZDUSSCGKSA-N 2 1 326.872 1.666 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccncc1Cl ZINC000617507746 449659845 /nfs/dbraw/zinc/65/98/45/449659845.db2.gz IAHPXXIVPUPOHQ-ZDUSSCGKSA-N 2 1 326.872 1.666 20 0 EDADMP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000601000152 449644080 /nfs/dbraw/zinc/64/40/80/449644080.db2.gz SZTUCUBKPZVPRS-GOSISDBHSA-N 2 1 333.476 1.770 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000617502622 449646196 /nfs/dbraw/zinc/64/61/96/449646196.db2.gz WNJMDNHBFKGDLX-JCGIZDLHSA-N 2 1 333.476 1.884 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000617502622 449646199 /nfs/dbraw/zinc/64/61/99/449646199.db2.gz WNJMDNHBFKGDLX-JCGIZDLHSA-N 2 1 333.476 1.884 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cn[nH]c3)c2)C1 ZINC000594786706 449695978 /nfs/dbraw/zinc/69/59/78/449695978.db2.gz SGAGAIZPSFGWES-KRWDZBQOSA-N 2 1 327.432 1.397 20 0 EDADMP CCOC(=O)CCc1cc(NC[C@H]2CCCC[N@@H+](C)C2)nc(C)n1 ZINC000601201440 449747630 /nfs/dbraw/zinc/74/76/30/449747630.db2.gz ORDGPASQZCWGSJ-OAHLLOKOSA-N 2 1 334.464 2.425 20 0 EDADMP C[C@@H](CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000617749600 449815477 /nfs/dbraw/zinc/81/54/77/449815477.db2.gz OEXIMMGPRRGJFO-KRWDZBQOSA-N 2 1 332.492 1.261 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000599299275 449873399 /nfs/dbraw/zinc/87/33/99/449873399.db2.gz IECUNMIUIIEQKA-GOSISDBHSA-N 2 1 331.460 1.694 20 0 EDADMP CN1CCCC[C@@H]1C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000599299275 449873405 /nfs/dbraw/zinc/87/34/05/449873405.db2.gz IECUNMIUIIEQKA-GOSISDBHSA-N 2 1 331.460 1.694 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)c1 ZINC000612975683 449966516 /nfs/dbraw/zinc/96/65/16/449966516.db2.gz GEBAHFFZDDCDCX-OAHLLOKOSA-N 2 1 329.448 1.364 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000612975860 449967357 /nfs/dbraw/zinc/96/73/57/449967357.db2.gz OPLIPJAVIPIGIR-BBWFWOEESA-N 2 1 328.460 1.873 20 0 EDADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000612978154 449968500 /nfs/dbraw/zinc/96/85/00/449968500.db2.gz SSMYHQQIUMMYLH-OWCLPIDISA-N 2 1 336.480 1.071 20 0 EDADMP COC(=O)c1ccccc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603212341 450146466 /nfs/dbraw/zinc/14/64/66/450146466.db2.gz VWVMJFDFMVTOOT-UHFFFAOYSA-N 2 1 343.431 1.079 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613523733 450212591 /nfs/dbraw/zinc/21/25/91/450212591.db2.gz YPOBUNBXKWAVFB-MJGOQNOKSA-N 2 1 331.460 1.049 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)[C@H](C)C1 ZINC000625329092 450295644 /nfs/dbraw/zinc/29/56/44/450295644.db2.gz BXAYXEPRHMOCGO-HZPDHXFCSA-N 2 1 327.513 1.875 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)[C@H](C)C1 ZINC000625329092 450295651 /nfs/dbraw/zinc/29/56/51/450295651.db2.gz BXAYXEPRHMOCGO-HZPDHXFCSA-N 2 1 327.513 1.875 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000625368322 450316987 /nfs/dbraw/zinc/31/69/87/450316987.db2.gz MJAQKTCEJRFCSO-MRXNPFEDSA-N 2 1 331.526 1.655 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000619897596 450365430 /nfs/dbraw/zinc/36/54/30/450365430.db2.gz CWVQHLRBENDVOA-INIZCTEOSA-N 2 1 331.464 1.048 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ccc2c[nH+]cn2c1 ZINC000619969008 450387047 /nfs/dbraw/zinc/38/70/47/450387047.db2.gz QOGNJNIARXMIKD-IAGOWNOFSA-N 2 1 340.427 1.708 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3Cc4cncn4C3)CC2)CC1 ZINC000623259229 450467396 /nfs/dbraw/zinc/46/73/96/450467396.db2.gz VVDPPNLMBCSNAY-MRXNPFEDSA-N 2 1 345.491 1.120 20 0 EDADMP Cc1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)ncc1Br ZINC000623409082 450516841 /nfs/dbraw/zinc/51/68/41/450516841.db2.gz PJDQFRBBDIZGBC-ZDUSSCGKSA-N 2 1 341.297 1.878 20 0 EDADMP C[N@@H+]1CC[C@@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)CC1(C)C ZINC000623381452 450509907 /nfs/dbraw/zinc/50/99/07/450509907.db2.gz UNCIAQJZBKPEDF-QGZVFWFLSA-N 2 1 344.503 1.798 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)CC1(C)C ZINC000623381452 450509910 /nfs/dbraw/zinc/50/99/10/450509910.db2.gz UNCIAQJZBKPEDF-QGZVFWFLSA-N 2 1 344.503 1.798 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000620550858 450512969 /nfs/dbraw/zinc/51/29/69/450512969.db2.gz ATBHRTULWFVSNX-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620917165 450560969 /nfs/dbraw/zinc/56/09/69/450560969.db2.gz BYYULWRVGDGAMG-GOEBONIOSA-N 2 1 334.464 1.690 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2C[C@@H]3CCCC[C@@]32C)C1 ZINC000626105906 450576007 /nfs/dbraw/zinc/57/60/07/450576007.db2.gz URGANQQTICLBLE-LNLFQRSKSA-N 2 1 337.508 1.724 20 0 EDADMP CCC1([NH+]2CCOCC2)CCN(C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000623723112 450573295 /nfs/dbraw/zinc/57/32/95/450573295.db2.gz FNELYMZHPOVSFT-UHFFFAOYSA-N 2 1 349.479 1.478 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)NC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000633081828 450668000 /nfs/dbraw/zinc/66/80/00/450668000.db2.gz MJBGCHLVXPTNDI-MSOLQXFVSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000633081828 450668005 /nfs/dbraw/zinc/66/80/05/450668005.db2.gz MJBGCHLVXPTNDI-MSOLQXFVSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000633081828 450668008 /nfs/dbraw/zinc/66/80/08/450668008.db2.gz MJBGCHLVXPTNDI-MSOLQXFVSA-N 2 1 330.476 1.963 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+])c1cc2ccccc2o1 ZINC000629578679 450745872 /nfs/dbraw/zinc/74/58/72/450745872.db2.gz DAPZREFSQLDKQB-KGLIPLIRSA-N 2 1 333.432 1.906 20 0 EDADMP CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)CCOCC[NH3+])cc1 ZINC000629579321 450746172 /nfs/dbraw/zinc/74/61/72/450746172.db2.gz RNICEKVWNNSGAI-GOSISDBHSA-N 2 1 349.475 1.656 20 0 EDADMP CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)CCOCC[NH3+])cc1 ZINC000629579321 450746178 /nfs/dbraw/zinc/74/61/78/450746178.db2.gz RNICEKVWNNSGAI-GOSISDBHSA-N 2 1 349.475 1.656 20 0 EDADMP COC[C@H](C)[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000629590423 450753105 /nfs/dbraw/zinc/75/31/05/450753105.db2.gz ZBHRMTMNEFJFHD-QFBILLFUSA-N 2 1 345.487 1.833 20 0 EDADMP C[C@H](OCCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000631841030 450809555 /nfs/dbraw/zinc/80/95/55/450809555.db2.gz HJEOZTGLKPDMEH-SOLBZPMBSA-N 2 1 333.476 1.797 20 0 EDADMP C[C@H](OCCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000631841030 450809557 /nfs/dbraw/zinc/80/95/57/450809557.db2.gz HJEOZTGLKPDMEH-SOLBZPMBSA-N 2 1 333.476 1.797 20 0 EDADMP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000631821415 450798619 /nfs/dbraw/zinc/79/86/19/450798619.db2.gz XDLQOQMXIDEFNZ-BFYDXBDKSA-N 2 1 346.475 1.039 20 0 EDADMP C[N@@H+](CCOCC[NH3+])C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000631835278 450803845 /nfs/dbraw/zinc/80/38/45/450803845.db2.gz QDRWMWDDQHBJDQ-CYBMUJFWSA-N 2 1 337.247 1.640 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631886224 450847264 /nfs/dbraw/zinc/84/72/64/450847264.db2.gz FYARRRPKCVYAFO-HOCLYGCPSA-N 2 1 330.432 1.188 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631886224 450847271 /nfs/dbraw/zinc/84/72/71/450847271.db2.gz FYARRRPKCVYAFO-HOCLYGCPSA-N 2 1 330.432 1.188 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC000633614084 450943118 /nfs/dbraw/zinc/94/31/18/450943118.db2.gz MIQAUHDUHJKNJI-CABCVRRESA-N 2 1 335.496 1.467 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC000633614084 450943123 /nfs/dbraw/zinc/94/31/23/450943123.db2.gz MIQAUHDUHJKNJI-CABCVRRESA-N 2 1 335.496 1.467 20 0 EDADMP COc1cc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)ccc1OCC[NH+](C)C ZINC000635463642 450963652 /nfs/dbraw/zinc/96/36/52/450963652.db2.gz BOTNJCIMUXJACH-INIZCTEOSA-N 2 1 349.475 1.594 20 0 EDADMP C[N@@H+](CCCNC(=O)NC1(C[NH3+])CCOCC1)Cc1ccccc1 ZINC000626925958 451008861 /nfs/dbraw/zinc/00/88/61/451008861.db2.gz VIGUOASTDCUERK-UHFFFAOYSA-N 2 1 334.464 1.316 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635533979 451030360 /nfs/dbraw/zinc/03/03/60/451030360.db2.gz BQQDCFVQEPLZQZ-GOSISDBHSA-N 2 1 348.535 1.491 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000622132993 451058527 /nfs/dbraw/zinc/05/85/27/451058527.db2.gz NAEKWIFRVIJKOY-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000622132993 451058533 /nfs/dbraw/zinc/05/85/33/451058533.db2.gz NAEKWIFRVIJKOY-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000622132993 451058538 /nfs/dbraw/zinc/05/85/38/451058538.db2.gz NAEKWIFRVIJKOY-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](C)C1 ZINC000635571770 451070907 /nfs/dbraw/zinc/07/09/07/451070907.db2.gz CMUOVZWMKCSDAJ-BBWFWOEESA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](C)C1 ZINC000635571770 451070910 /nfs/dbraw/zinc/07/09/10/451070910.db2.gz CMUOVZWMKCSDAJ-BBWFWOEESA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](C)C1 ZINC000635571770 451070912 /nfs/dbraw/zinc/07/09/12/451070912.db2.gz CMUOVZWMKCSDAJ-BBWFWOEESA-N 2 1 325.497 1.724 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000628062090 451113029 /nfs/dbraw/zinc/11/30/29/451113029.db2.gz WOHJEASOEDIEIR-RBUKOAKNSA-N 2 1 346.519 1.332 20 0 EDADMP C[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[NH+]1CCSCC1 ZINC000633944581 451118717 /nfs/dbraw/zinc/11/87/17/451118717.db2.gz JDQSFTMGEUVMOX-HNNXBMFYSA-N 2 1 325.522 1.901 20 0 EDADMP C[C@H]1C[NH+](CCCCNC(=O)C[N@@H+](C)CC(C)(C)C)C[C@H](C)O1 ZINC000635658356 451142685 /nfs/dbraw/zinc/14/26/85/451142685.db2.gz JNWMFWYYYAJMOG-HOTGVXAUSA-N 2 1 327.513 1.970 20 0 EDADMP C[C@@H]1CCN(C(=O)NCCOCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000627214343 451190895 /nfs/dbraw/zinc/19/08/95/451190895.db2.gz JJVICGNJDKEYOI-QGZVFWFLSA-N 2 1 348.491 1.658 20 0 EDADMP C[NH+](C)[C@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC000635723183 451199319 /nfs/dbraw/zinc/19/93/19/451199319.db2.gz ZDIZTJOJMXAXOQ-HRCADAONSA-N 2 1 325.497 1.674 20 0 EDADMP C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000635750421 451218210 /nfs/dbraw/zinc/21/82/10/451218210.db2.gz RYAYZWYOPJUXNO-DLBZAZTESA-N 2 1 338.540 1.449 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000638095505 451261704 /nfs/dbraw/zinc/26/17/04/451261704.db2.gz UKVIEZGEHHYHHP-MSOLQXFVSA-N 2 1 330.476 1.142 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000638117835 451286932 /nfs/dbraw/zinc/28/69/32/451286932.db2.gz PDOUGQOZNDPZDN-MSOLQXFVSA-N 2 1 348.535 1.928 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000638117835 451286939 /nfs/dbraw/zinc/28/69/39/451286939.db2.gz PDOUGQOZNDPZDN-MSOLQXFVSA-N 2 1 348.535 1.928 20 0 EDADMP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)CC2)c1 ZINC000638102052 451269392 /nfs/dbraw/zinc/26/93/92/451269392.db2.gz HERCWDTYOYOCMF-WMLDXEAASA-N 2 1 329.444 1.948 20 0 EDADMP C[NH+](C)CCC[N@H+](C)CCn1cc(C[C@H]([NH3+])c2ccccc2)nn1 ZINC000630611827 451275238 /nfs/dbraw/zinc/27/52/38/451275238.db2.gz LBQPTRHGECRLPP-SFHVURJKSA-N 3 1 330.480 1.404 20 0 EDADMP C[NH+](C)CCC[N@@H+](C)CCn1cc(C[C@H]([NH3+])c2ccccc2)nn1 ZINC000630611827 451275245 /nfs/dbraw/zinc/27/52/45/451275245.db2.gz LBQPTRHGECRLPP-SFHVURJKSA-N 3 1 330.480 1.404 20 0 EDADMP CN(Cc1cn[nH]c1)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638117264 451284035 /nfs/dbraw/zinc/28/40/35/451284035.db2.gz STBSYWKSWNKICB-UHFFFAOYSA-N 2 1 341.459 1.752 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000638116787 451284958 /nfs/dbraw/zinc/28/49/58/451284958.db2.gz GPQONUWIKMZTPC-SJORKVTESA-N 2 1 347.507 1.472 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+]1CCC(C)CC1 ZINC000636550767 451291375 /nfs/dbraw/zinc/29/13/75/451291375.db2.gz FOZOWDVPHUSTQL-DLBZAZTESA-N 2 1 340.512 1.109 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000635853545 451300586 /nfs/dbraw/zinc/30/05/86/451300586.db2.gz IQDMSXHFOMHZAS-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000635853545 451300592 /nfs/dbraw/zinc/30/05/92/451300592.db2.gz IQDMSXHFOMHZAS-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000635853545 451300596 /nfs/dbraw/zinc/30/05/96/451300596.db2.gz IQDMSXHFOMHZAS-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)NC[C@H]3CC[N@H+](C4CC4)C3)cn2)CC1 ZINC000636580283 451321011 /nfs/dbraw/zinc/32/10/11/451321011.db2.gz BKQUNUSFPBTJQO-CQSZACIVSA-N 2 1 346.479 1.756 20 0 EDADMP C[N@@H+](CC(=O)N1CCCN(c2cc[nH+]cc2)CC1)[C@H]1CCSC1 ZINC000640445102 451321186 /nfs/dbraw/zinc/32/11/86/451321186.db2.gz FFZCPJNHAXRETM-INIZCTEOSA-N 2 1 334.489 1.558 20 0 EDADMP O=C(Cc1cccc2c1CC[NH2+]C2)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000638215322 451358546 /nfs/dbraw/zinc/35/85/46/451358546.db2.gz PXOFAKZWNZOERP-LJQANCHMSA-N 2 1 336.439 1.443 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533017 451383604 /nfs/dbraw/zinc/38/36/04/451383604.db2.gz ZNYHSSMWNSPUCR-DLBZAZTESA-N 2 1 325.497 1.868 20 0 EDADMP CO[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C1CCOCC1 ZINC000638184629 451344616 /nfs/dbraw/zinc/34/46/16/451344616.db2.gz ZGEMSGFGURBNSP-WNRNVDISSA-N 2 1 326.481 1.612 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000638288423 451404649 /nfs/dbraw/zinc/40/46/49/451404649.db2.gz PZQKKDQLSMKHQB-ACBHZAAOSA-N 2 1 344.503 1.579 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000638288423 451404655 /nfs/dbraw/zinc/40/46/55/451404655.db2.gz PZQKKDQLSMKHQB-ACBHZAAOSA-N 2 1 344.503 1.579 20 0 EDADMP O=C(C[C@H](n1ccnc1)C(F)(F)F)NC[C@H]1CCC[N@@H+]1CCCO ZINC000635976141 451410149 /nfs/dbraw/zinc/41/01/49/451410149.db2.gz WJSYQEYQLXHJTI-OLZOCXBDSA-N 2 1 348.369 1.340 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000638328494 451437460 /nfs/dbraw/zinc/43/74/60/451437460.db2.gz JMBRZNVXWLXZPB-GBESFXJTSA-N 2 1 344.503 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000638328494 451437463 /nfs/dbraw/zinc/43/74/63/451437463.db2.gz JMBRZNVXWLXZPB-GBESFXJTSA-N 2 1 344.503 1.436 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000638356984 451457784 /nfs/dbraw/zinc/45/77/84/451457784.db2.gz SDRYDTZUCFNYLC-ZDUSSCGKSA-N 2 1 333.480 1.581 20 0 EDADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638369019 451466463 /nfs/dbraw/zinc/46/64/63/451466463.db2.gz DFJYQCOOCAJNGO-CVEARBPZSA-N 3 1 332.492 1.612 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@]2(COC)CCCC[NH2+]2)CC[N@H+]1CCOC ZINC000638376472 451471879 /nfs/dbraw/zinc/47/18/79/451471879.db2.gz AWFLWVDNWDXBMH-SJLPKXTDSA-N 2 1 341.496 1.104 20 0 EDADMP CCN(CC)C(=O)CCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634699566 451472516 /nfs/dbraw/zinc/47/25/16/451472516.db2.gz LRVJZBPLVKKIOH-HXUWFJFHSA-N 2 1 347.503 1.862 20 0 EDADMP CCN(CC)C(=O)CCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634699566 451472520 /nfs/dbraw/zinc/47/25/20/451472520.db2.gz LRVJZBPLVKKIOH-HXUWFJFHSA-N 2 1 347.503 1.862 20 0 EDADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000634705450 451482686 /nfs/dbraw/zinc/48/26/86/451482686.db2.gz ARCINFGYMLUXND-ICSRJNTNSA-N 2 1 347.503 1.181 20 0 EDADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000634705450 451482690 /nfs/dbraw/zinc/48/26/90/451482690.db2.gz ARCINFGYMLUXND-ICSRJNTNSA-N 2 1 347.503 1.181 20 0 EDADMP O[C@]1(C[NH2+]CCCO[C@@H]2CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634708631 451487164 /nfs/dbraw/zinc/48/71/64/451487164.db2.gz XNHHBAKLHGOZMR-MOPGFXCFSA-N 2 1 334.460 1.409 20 0 EDADMP O[C@]1(C[NH2+]CCCO[C@@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708631 451487166 /nfs/dbraw/zinc/48/71/66/451487166.db2.gz XNHHBAKLHGOZMR-MOPGFXCFSA-N 2 1 334.460 1.409 20 0 EDADMP O=C(N1CCC([N@H+]2CCCOCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000636022040 451443273 /nfs/dbraw/zinc/44/32/73/451443273.db2.gz NYUNJDPEUUERNT-UHFFFAOYSA-N 2 1 335.492 1.576 20 0 EDADMP O[C@]1(C[NH2+][C@H]2CCN(CC(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634717346 451498146 /nfs/dbraw/zinc/49/81/46/451498146.db2.gz JXBKWTNOQJNCKB-WMZOPIPTSA-N 2 1 339.430 1.552 20 0 EDADMP O[C@]1(C[NH2+][C@H]2CCN(CC(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634717346 451498150 /nfs/dbraw/zinc/49/81/50/451498150.db2.gz JXBKWTNOQJNCKB-WMZOPIPTSA-N 2 1 339.430 1.552 20 0 EDADMP O[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)COCC1CC1 ZINC000634719656 451499268 /nfs/dbraw/zinc/49/92/68/451499268.db2.gz WQMLFHUSYRCLOS-RTBURBONSA-N 2 1 334.460 1.001 20 0 EDADMP O[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)COCC1CC1 ZINC000634719656 451499276 /nfs/dbraw/zinc/49/92/76/451499276.db2.gz WQMLFHUSYRCLOS-RTBURBONSA-N 2 1 334.460 1.001 20 0 EDADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000636782302 451503868 /nfs/dbraw/zinc/50/38/68/451503868.db2.gz RDSGTPZGMASCTO-RDJZCZTQSA-N 2 1 348.491 1.482 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000634740896 451519360 /nfs/dbraw/zinc/51/93/60/451519360.db2.gz LYNOAGJSOWVZLI-YSIASYRMSA-N 2 1 327.472 1.967 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC000634745824 451522460 /nfs/dbraw/zinc/52/24/60/451522460.db2.gz UMFQZCXODDIHOF-YSIASYRMSA-N 2 1 343.471 1.345 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC000634745824 451522463 /nfs/dbraw/zinc/52/24/63/451522463.db2.gz UMFQZCXODDIHOF-YSIASYRMSA-N 2 1 343.471 1.345 20 0 EDADMP C[C@H]1CC[C@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000638639797 451625347 /nfs/dbraw/zinc/62/53/47/451625347.db2.gz NLVXCQLADXWDPC-WMZOPIPTSA-N 3 1 344.503 1.627 20 0 EDADMP Cc1nc(N)nc(NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000631177852 451626697 /nfs/dbraw/zinc/62/66/97/451626697.db2.gz ATECFDXTLIWYOY-BBRMVZONSA-N 2 1 326.448 1.897 20 0 EDADMP C[C@H](c1ccc(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1)[NH+]1CCOCC1 ZINC000632912134 451645887 /nfs/dbraw/zinc/64/58/87/451645887.db2.gz HMGICGCWVHQBBX-COXVUDFISA-N 2 1 330.432 1.658 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000638835335 451705676 /nfs/dbraw/zinc/70/56/76/451705676.db2.gz KSPJINYXWKTNGT-SNPRPXQTSA-N 2 1 325.403 1.853 20 0 EDADMP COCC[NH2+]CC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851517 451710491 /nfs/dbraw/zinc/71/04/91/451710491.db2.gz NJFVGYMTUSXYGE-SFHVURJKSA-N 2 1 333.476 1.783 20 0 EDADMP CC1(C)CC([NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC(C)(C)[NH2+]1 ZINC000638864286 451714097 /nfs/dbraw/zinc/71/40/97/451714097.db2.gz QUZVOYPPMVEDNY-UHFFFAOYSA-N 2 1 325.478 1.733 20 0 EDADMP CCN1CC[NH+](CCC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000638877755 451716851 /nfs/dbraw/zinc/71/68/51/451716851.db2.gz OLRFLRGKRXGDGU-GOSISDBHSA-N 2 1 332.492 1.090 20 0 EDADMP C[C@H]1C[NH+](Cc2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C[C@H](C)O1 ZINC000638925152 451737602 /nfs/dbraw/zinc/73/76/02/451737602.db2.gz IYGKOUKSCYOXBU-STEAMIEHSA-N 2 1 343.471 1.872 20 0 EDADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000638977271 451744090 /nfs/dbraw/zinc/74/40/90/451744090.db2.gz QICXXBBXZZOSKN-ATZDWAIDSA-N 2 1 345.487 1.790 20 0 EDADMP CO[C@H](C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000639169859 451784383 /nfs/dbraw/zinc/78/43/83/451784383.db2.gz PCNUEESFCOHODN-GOSISDBHSA-N 2 1 337.508 1.678 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000639176928 451786419 /nfs/dbraw/zinc/78/64/19/451786419.db2.gz MTOWYWLMWHCEPP-MRXNPFEDSA-N 2 1 337.489 1.498 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)COc1ccccc1 ZINC000644563413 451864946 /nfs/dbraw/zinc/86/49/46/451864946.db2.gz LEEFZPZAXGINQV-PKOBYXMFSA-N 2 1 334.460 1.659 20 0 EDADMP O[C@]1(CN2CC[C@H]([NH+]3CCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639469742 451881572 /nfs/dbraw/zinc/88/15/72/451881572.db2.gz ACWWOYBHWVBPGQ-PMACEKPBSA-N 2 1 329.488 1.794 20 0 EDADMP NC(=O)CC[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639470442 451883736 /nfs/dbraw/zinc/88/37/36/451883736.db2.gz NWQAYRBLWGPZGX-UYAOXDASSA-N 2 1 345.487 1.601 20 0 EDADMP NC(=O)CC[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639470442 451883740 /nfs/dbraw/zinc/88/37/40/451883740.db2.gz NWQAYRBLWGPZGX-UYAOXDASSA-N 2 1 345.487 1.601 20 0 EDADMP NC(=O)CC[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639470442 451883742 /nfs/dbraw/zinc/88/37/42/451883742.db2.gz NWQAYRBLWGPZGX-UYAOXDASSA-N 2 1 345.487 1.601 20 0 EDADMP NC(=O)CC[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639470442 451883745 /nfs/dbraw/zinc/88/37/45/451883745.db2.gz NWQAYRBLWGPZGX-UYAOXDASSA-N 2 1 345.487 1.601 20 0 EDADMP CC[NH+]1CCC[C@H]1CNc1nccnc1NC[C@@H]1CCC[N@@H+]1CC ZINC000649223588 451914827 /nfs/dbraw/zinc/91/48/27/451914827.db2.gz RGEHYOHCCFSLJT-HOTGVXAUSA-N 2 1 332.496 1.113 20 0 EDADMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000646915140 451933558 /nfs/dbraw/zinc/93/35/58/451933558.db2.gz KIWGJYCJIHPWDQ-JQHSSLGASA-N 2 1 331.435 1.953 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000646915140 451933562 /nfs/dbraw/zinc/93/35/62/451933562.db2.gz KIWGJYCJIHPWDQ-JQHSSLGASA-N 2 1 331.435 1.953 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000646915140 451933567 /nfs/dbraw/zinc/93/35/67/451933567.db2.gz KIWGJYCJIHPWDQ-JQHSSLGASA-N 2 1 331.435 1.953 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000646915140 451933570 /nfs/dbraw/zinc/93/35/70/451933570.db2.gz KIWGJYCJIHPWDQ-JQHSSLGASA-N 2 1 331.435 1.953 20 0 EDADMP O[C@@]1(CN2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639546603 451938251 /nfs/dbraw/zinc/93/82/51/451938251.db2.gz JMEAHOYFLRUQGD-VQTJNVASSA-N 2 1 345.487 1.030 20 0 EDADMP O[C@@]1(CN2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639546603 451938256 /nfs/dbraw/zinc/93/82/56/451938256.db2.gz JMEAHOYFLRUQGD-VQTJNVASSA-N 2 1 345.487 1.030 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000646928324 451944534 /nfs/dbraw/zinc/94/45/34/451944534.db2.gz XKUFHCQGBJHWHH-RTBURBONSA-N 2 1 342.487 1.210 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)cc2)CC1 ZINC000646928324 451944551 /nfs/dbraw/zinc/94/45/51/451944551.db2.gz XKUFHCQGBJHWHH-RTBURBONSA-N 2 1 342.487 1.210 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)cc2)CC1 ZINC000646928324 451944561 /nfs/dbraw/zinc/94/45/61/451944561.db2.gz XKUFHCQGBJHWHH-RTBURBONSA-N 2 1 342.487 1.210 20 0 EDADMP C[N@@H+](CCCNC(=O)[C@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000649281496 451953944 /nfs/dbraw/zinc/95/39/44/451953944.db2.gz NMEYJPHEMLVWIC-OAHLLOKOSA-N 2 1 325.403 1.870 20 0 EDADMP CC[C@H](CNC(=O)[C@]1(COC)CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000649292854 451968584 /nfs/dbraw/zinc/96/85/84/451968584.db2.gz GWZLECCFGYEDBR-UYAOXDASSA-N 2 1 345.487 1.708 20 0 EDADMP COC[C@]1(C(=O)N2CC[NH+](CCc3cccs3)CC2)CCC[NH2+]1 ZINC000649296641 451973196 /nfs/dbraw/zinc/97/31/96/451973196.db2.gz YZNFOXIVWUDNCX-KRWDZBQOSA-N 2 1 337.489 1.203 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000649308412 451984598 /nfs/dbraw/zinc/98/45/98/451984598.db2.gz FUVQHEMOFGBJOS-MRXNPFEDSA-N 2 1 344.459 1.401 20 0 EDADMP C[N@H+]1CC[C@@](N)(C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000649308942 451986913 /nfs/dbraw/zinc/98/69/13/451986913.db2.gz JCWGREDGNGPANE-PBHICJAKSA-N 2 1 336.505 1.109 20 0 EDADMP C[NH+]1CC[C@@](N)(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000649308942 451986921 /nfs/dbraw/zinc/98/69/21/451986921.db2.gz JCWGREDGNGPANE-PBHICJAKSA-N 2 1 336.505 1.109 20 0 EDADMP C[NH+]1CC[C@@](N)(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000649308942 451986926 /nfs/dbraw/zinc/98/69/26/451986926.db2.gz JCWGREDGNGPANE-PBHICJAKSA-N 2 1 336.505 1.109 20 0 EDADMP C[N@H+]1CC[C@](N)(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000649312852 451991395 /nfs/dbraw/zinc/99/13/95/451991395.db2.gz DCLFRWCADNQIIL-GOSISDBHSA-N 2 1 348.516 1.249 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000637651633 451999112 /nfs/dbraw/zinc/99/91/12/451999112.db2.gz MBHOOZDUXCHSIZ-AEFFLSMTSA-N 2 1 330.476 1.902 20 0 EDADMP CC[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000647006209 452000584 /nfs/dbraw/zinc/00/05/84/452000584.db2.gz MOHCKVXGARKDCZ-RTBURBONSA-N 2 1 344.503 1.390 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@H]1[NH3+] ZINC000647012566 452004487 /nfs/dbraw/zinc/00/44/87/452004487.db2.gz WPCZBPFATCYWKS-GUDVDZBRSA-N 2 1 345.487 1.863 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@H]1[NH3+] ZINC000647012566 452004494 /nfs/dbraw/zinc/00/44/94/452004494.db2.gz WPCZBPFATCYWKS-GUDVDZBRSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H](CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[N@@H+](C)Cc1ccccc1 ZINC000649332315 452013375 /nfs/dbraw/zinc/01/33/75/452013375.db2.gz RRQOVMFEVREVNG-GOEBONIOSA-N 2 1 342.447 1.063 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649332182 452013646 /nfs/dbraw/zinc/01/36/46/452013646.db2.gz CRVTZUTXCJSRFN-ZDUSSCGKSA-N 2 1 340.374 1.370 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2)CC[C@H]1C ZINC000653563321 452018280 /nfs/dbraw/zinc/01/82/80/452018280.db2.gz GOXIDBPJISHVHW-QUCCMNQESA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000653563321 452018284 /nfs/dbraw/zinc/01/82/84/452018284.db2.gz GOXIDBPJISHVHW-QUCCMNQESA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000653563321 452018289 /nfs/dbraw/zinc/01/82/89/452018289.db2.gz GOXIDBPJISHVHW-QUCCMNQESA-N 2 1 349.519 1.522 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC2(CC[NH2+]C2)CC1 ZINC000649363283 452042661 /nfs/dbraw/zinc/04/26/61/452042661.db2.gz QSWZQZYTLLZDFN-QGZVFWFLSA-N 2 1 328.460 1.648 20 0 EDADMP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CCC2(CC[NH2+]C2)CC1 ZINC000649363283 452042670 /nfs/dbraw/zinc/04/26/70/452042670.db2.gz QSWZQZYTLLZDFN-QGZVFWFLSA-N 2 1 328.460 1.648 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649372502 452047743 /nfs/dbraw/zinc/04/77/43/452047743.db2.gz ANCGFWWYQMYCHX-ROUUACIJSA-N 2 1 343.471 1.678 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649372502 452047747 /nfs/dbraw/zinc/04/77/47/452047747.db2.gz ANCGFWWYQMYCHX-ROUUACIJSA-N 2 1 343.471 1.678 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C(F)(F)F ZINC000647083857 452051375 /nfs/dbraw/zinc/05/13/75/452051375.db2.gz YYBPBJJKTCXAEW-ZIAGYGMSSA-N 2 1 344.381 1.690 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2(OC)CC[NH2+]CC2)[C@H](C)C1 ZINC000649381279 452053574 /nfs/dbraw/zinc/05/35/74/452053574.db2.gz YQJCGSOVFAMDBB-CVEARBPZSA-N 2 1 341.496 1.008 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000643210152 452072798 /nfs/dbraw/zinc/07/27/98/452072798.db2.gz OVKIEPRYKFDBEA-IRXDYDNUSA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000643210152 452072805 /nfs/dbraw/zinc/07/28/05/452072805.db2.gz OVKIEPRYKFDBEA-IRXDYDNUSA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000643210152 452072811 /nfs/dbraw/zinc/07/28/11/452072811.db2.gz OVKIEPRYKFDBEA-IRXDYDNUSA-N 2 1 339.528 1.137 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000644935990 452073304 /nfs/dbraw/zinc/07/33/04/452073304.db2.gz VQBXARPOPCWZLB-MRXNPFEDSA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000649414127 452075678 /nfs/dbraw/zinc/07/56/78/452075678.db2.gz GTROEBNVZOVLBH-QGZVFWFLSA-N 2 1 330.476 1.539 20 0 EDADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000649414420 452075890 /nfs/dbraw/zinc/07/58/90/452075890.db2.gz YYXHCLGZAXIRFH-FHWLQOOXSA-N 2 1 328.460 1.796 20 0 EDADMP CC[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@@H]1[NH3+] ZINC000649416865 452079564 /nfs/dbraw/zinc/07/95/64/452079564.db2.gz OEBDWBZOHFEYEV-SJORKVTESA-N 2 1 345.491 1.180 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)c1 ZINC000637808858 452093866 /nfs/dbraw/zinc/09/38/66/452093866.db2.gz HCSWXVVKJQTTQS-GOSISDBHSA-N 2 1 326.444 1.804 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000639757561 452095864 /nfs/dbraw/zinc/09/58/64/452095864.db2.gz HVFPFQYZKZKGDR-OAHLLOKOSA-N 2 1 329.510 1.076 20 0 EDADMP O=C(NCC[NH2+]C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637827409 452103970 /nfs/dbraw/zinc/10/39/70/452103970.db2.gz FWRCWMHUVCSXDX-QUCCMNQESA-N 2 1 343.471 1.393 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CO1 ZINC000647181853 452110632 /nfs/dbraw/zinc/11/06/32/452110632.db2.gz VYYOWULBZVIJAK-OLMNPRSZSA-N 2 1 331.460 1.651 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCCC[C@@H]1CO)c1ccccc1 ZINC000653783486 452114167 /nfs/dbraw/zinc/11/41/67/452114167.db2.gz LXLSMHTUHDTXIQ-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CCCCC1 ZINC000637881887 452135107 /nfs/dbraw/zinc/13/51/07/452135107.db2.gz RXCYWQSPTAZJCN-GOSISDBHSA-N 2 1 346.519 1.826 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000637881887 452135112 /nfs/dbraw/zinc/13/51/12/452135112.db2.gz RXCYWQSPTAZJCN-GOSISDBHSA-N 2 1 346.519 1.826 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000653955956 452183564 /nfs/dbraw/zinc/18/35/64/452183564.db2.gz WAPMEUOOWOWEOM-NCOADZHNSA-N 2 1 340.512 1.514 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000653955956 452183569 /nfs/dbraw/zinc/18/35/69/452183569.db2.gz WAPMEUOOWOWEOM-NCOADZHNSA-N 2 1 340.512 1.514 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000653955956 452183574 /nfs/dbraw/zinc/18/35/74/452183574.db2.gz WAPMEUOOWOWEOM-NCOADZHNSA-N 2 1 340.512 1.514 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000653955956 452183580 /nfs/dbraw/zinc/18/35/80/452183580.db2.gz WAPMEUOOWOWEOM-NCOADZHNSA-N 2 1 340.512 1.514 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)CC1 ZINC000649662316 452186812 /nfs/dbraw/zinc/18/68/12/452186812.db2.gz AEUNSOILFPUHOQ-IBGZPJMESA-N 2 1 333.451 1.953 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@](C)(c3cccc(F)c3)C2)CC1 ZINC000649662316 452186819 /nfs/dbraw/zinc/18/68/19/452186819.db2.gz AEUNSOILFPUHOQ-IBGZPJMESA-N 2 1 333.451 1.953 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000639881208 452216786 /nfs/dbraw/zinc/21/67/86/452216786.db2.gz VAAVAOPTYJBWEK-IRXDYDNUSA-N 2 1 327.513 1.263 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480537 452226653 /nfs/dbraw/zinc/22/66/53/452226653.db2.gz QORKIAMUEXBLPC-AEFFLSMTSA-N 2 1 347.507 1.529 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480537 452226659 /nfs/dbraw/zinc/22/66/59/452226659.db2.gz QORKIAMUEXBLPC-AEFFLSMTSA-N 2 1 347.507 1.529 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1OCC(F)(F)F ZINC000647493102 452236911 /nfs/dbraw/zinc/23/69/11/452236911.db2.gz UPNFKFBGGJDOBP-UHFFFAOYSA-N 2 1 331.382 1.965 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)CC2)c1 ZINC000641802372 452277936 /nfs/dbraw/zinc/27/79/36/452277936.db2.gz JQYDCYILCPTMBA-MSOLQXFVSA-N 2 1 344.503 1.355 20 0 EDADMP CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805350 452284306 /nfs/dbraw/zinc/28/43/06/452284306.db2.gz NDEFXSYZZUFCGO-HUUCEWRRSA-N 2 1 332.448 1.019 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H]1CCO ZINC000661497401 452297717 /nfs/dbraw/zinc/29/77/17/452297717.db2.gz IVVUNPCOZOPKOR-NZSAHSFTSA-N 2 1 347.503 1.888 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546712 452306715 /nfs/dbraw/zinc/30/67/15/452306715.db2.gz TUONXURFGGPDGF-ZFWWWQNUSA-N 2 1 337.489 1.920 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCC2 ZINC000643548084 452307105 /nfs/dbraw/zinc/30/71/05/452307105.db2.gz MDSDNMXQJACISK-RHSMWYFYSA-N 2 1 349.500 1.976 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000659459470 452312890 /nfs/dbraw/zinc/31/28/90/452312890.db2.gz YURZTIODTOXSAB-IAGOWNOFSA-N 2 1 338.496 1.128 20 0 EDADMP C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659460208 452313178 /nfs/dbraw/zinc/31/31/78/452313178.db2.gz SECNEKUQKBTDCJ-NVXWUHKLSA-N 2 1 348.491 1.655 20 0 EDADMP C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659460208 452313188 /nfs/dbraw/zinc/31/31/88/452313188.db2.gz SECNEKUQKBTDCJ-NVXWUHKLSA-N 2 1 348.491 1.655 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652120272 452316642 /nfs/dbraw/zinc/31/66/42/452316642.db2.gz DWXCARHWFPLMIU-INIZCTEOSA-N 2 1 326.485 1.032 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000652123861 452318805 /nfs/dbraw/zinc/31/88/05/452318805.db2.gz CNHYNZYWRBQWRH-IYBDPMFKSA-N 2 1 348.491 1.705 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000665760636 452330608 /nfs/dbraw/zinc/33/06/08/452330608.db2.gz MAIWFZYVPPDQCH-BBWFWOEESA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000665760636 452330620 /nfs/dbraw/zinc/33/06/20/452330620.db2.gz MAIWFZYVPPDQCH-BBWFWOEESA-N 2 1 342.528 1.451 20 0 EDADMP CCO[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652138695 452331576 /nfs/dbraw/zinc/33/15/76/452331576.db2.gz NCQASHQZHWPAKD-DMRKSPOLSA-N 2 1 340.512 1.358 20 0 EDADMP C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000659478678 452339333 /nfs/dbraw/zinc/33/93/33/452339333.db2.gz DBNCOSGHYJOUCL-OCVGTWLNSA-N 2 1 326.460 1.720 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652150482 452343495 /nfs/dbraw/zinc/34/34/95/452343495.db2.gz YADWIDKQUXCUMV-OAHLLOKOSA-N 2 1 338.427 1.194 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000665763112 452343909 /nfs/dbraw/zinc/34/39/09/452343909.db2.gz ZAHGGQFNWDBKEK-WMZOPIPTSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000665763112 452343918 /nfs/dbraw/zinc/34/39/18/452343918.db2.gz ZAHGGQFNWDBKEK-WMZOPIPTSA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638059575 452349313 /nfs/dbraw/zinc/34/93/13/452349313.db2.gz NISKFPACBWGZHT-IBGZPJMESA-N 2 1 346.519 1.777 20 0 EDADMP COc1ccc2c(c1)CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C2 ZINC000665764168 452350584 /nfs/dbraw/zinc/35/05/84/452350584.db2.gz WOUCXQOXDXKCRT-HNNXBMFYSA-N 2 1 348.491 1.992 20 0 EDADMP COc1ccc2c(c1)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C2 ZINC000665764168 452350592 /nfs/dbraw/zinc/35/05/92/452350592.db2.gz WOUCXQOXDXKCRT-HNNXBMFYSA-N 2 1 348.491 1.992 20 0 EDADMP COC[C@@]1(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCCC[NH2+]1 ZINC000638068138 452371424 /nfs/dbraw/zinc/37/14/24/452371424.db2.gz VKCLNEYEZLXTTH-SJLPKXTDSA-N 2 1 325.497 1.916 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000659511480 452375445 /nfs/dbraw/zinc/37/54/45/452375445.db2.gz QGWVFXQWZHBTMQ-MSOLQXFVSA-N 2 1 346.475 1.052 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000638075396 452385768 /nfs/dbraw/zinc/38/57/68/452385768.db2.gz QVMMECHEGXJXBH-WMZOPIPTSA-N 2 1 332.492 1.294 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000638075396 452385775 /nfs/dbraw/zinc/38/57/75/452385775.db2.gz QVMMECHEGXJXBH-WMZOPIPTSA-N 2 1 332.492 1.294 20 0 EDADMP CC[N@@H+](CCCNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000652227703 452419221 /nfs/dbraw/zinc/41/92/21/452419221.db2.gz MUTSDRHLKXKPBJ-DOTOQJQBSA-N 2 1 340.512 1.789 20 0 EDADMP [NH3+]CC1(CC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000645476104 452447744 /nfs/dbraw/zinc/44/77/44/452447744.db2.gz LZFKGOWMLOZGHG-UHFFFAOYSA-N 2 1 334.439 1.193 20 0 EDADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000661639741 452457894 /nfs/dbraw/zinc/45/78/94/452457894.db2.gz OJTFBQPJLUJLFB-VQTJNVASSA-N 2 1 331.504 1.690 20 0 EDADMP C[NH+](C[C@@H](O)CN1CC[C@H]([N@H+](C)CCc2ccccc2)C1)C1CC1 ZINC000661639741 452457907 /nfs/dbraw/zinc/45/79/07/452457907.db2.gz OJTFBQPJLUJLFB-VQTJNVASSA-N 2 1 331.504 1.690 20 0 EDADMP C[NH+](C[C@@H](O)CN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)C1CC1 ZINC000661639741 452457914 /nfs/dbraw/zinc/45/79/14/452457914.db2.gz OJTFBQPJLUJLFB-VQTJNVASSA-N 2 1 331.504 1.690 20 0 EDADMP C[C@]1(C[NH3+])CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659609231 452466301 /nfs/dbraw/zinc/46/63/01/452466301.db2.gz IYENBQLRKYHVFG-BFYDXBDKSA-N 2 1 336.480 1.010 20 0 EDADMP O=C(C1CC1)N1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655687018 452511499 /nfs/dbraw/zinc/51/14/99/452511499.db2.gz IAJBJGNJHFSULX-GOSISDBHSA-N 2 1 335.492 1.620 20 0 EDADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C(C)C ZINC000652345386 452517160 /nfs/dbraw/zinc/51/71/60/452517160.db2.gz AWVZDFIMMRHUIX-BBWFWOEESA-N 2 1 325.497 1.850 20 0 EDADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345449 452520634 /nfs/dbraw/zinc/52/06/34/452520634.db2.gz CCXHXKJNYIYFCW-ADHGMGHFSA-N 2 1 337.508 1.994 20 0 EDADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347070 452521940 /nfs/dbraw/zinc/52/19/40/452521940.db2.gz QCPWROAYEGJPCH-CAOSSQGBSA-N 2 1 325.497 1.898 20 0 EDADMP Cc1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655706905 452526500 /nfs/dbraw/zinc/52/65/00/452526500.db2.gz NMRCEICQVGSGNL-MSOLQXFVSA-N 2 1 334.460 1.578 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350998 452529552 /nfs/dbraw/zinc/52/95/52/452529552.db2.gz CUDRQTMIGAXWLI-LPHOPBHVSA-N 2 1 331.460 1.415 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350998 452529560 /nfs/dbraw/zinc/52/95/60/452529560.db2.gz CUDRQTMIGAXWLI-LPHOPBHVSA-N 2 1 331.460 1.415 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000652362701 452545700 /nfs/dbraw/zinc/54/57/00/452545700.db2.gz NBGVSNGKMCACKG-RFGFWPKPSA-N 2 1 349.397 1.510 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000652362701 452545707 /nfs/dbraw/zinc/54/57/07/452545707.db2.gz NBGVSNGKMCACKG-RFGFWPKPSA-N 2 1 349.397 1.510 20 0 EDADMP Cc1cc(N2CCC([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)n[nH]1 ZINC000655758711 452561229 /nfs/dbraw/zinc/56/12/29/452561229.db2.gz XUUVOGIPAHRBKW-GOSISDBHSA-N 2 1 347.507 1.920 20 0 EDADMP Cc1nn(-c2ccccc2Cl)cc1CNC[C@]1(O)CC[N@H+](C)C1 ZINC000655760399 452562632 /nfs/dbraw/zinc/56/26/32/452562632.db2.gz PISQTINGVJOMLS-QGZVFWFLSA-N 2 1 334.851 1.990 20 0 EDADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000655760399 452562640 /nfs/dbraw/zinc/56/26/40/452562640.db2.gz PISQTINGVJOMLS-QGZVFWFLSA-N 2 1 334.851 1.990 20 0 EDADMP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834819 452568209 /nfs/dbraw/zinc/56/82/09/452568209.db2.gz AJXVURUDILQZSS-CVEARBPZSA-N 2 1 330.476 1.190 20 0 EDADMP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834819 452568219 /nfs/dbraw/zinc/56/82/19/452568219.db2.gz AJXVURUDILQZSS-CVEARBPZSA-N 2 1 330.476 1.190 20 0 EDADMP Cn1nccc1[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000655772307 452568695 /nfs/dbraw/zinc/56/86/95/452568695.db2.gz MTHPVTOAECGTTA-LNLFQRSKSA-N 2 1 348.491 1.873 20 0 EDADMP C[N@@H+](CCCc1nc(-c2ccccc2)no1)CCN1CC[NH2+]CC1 ZINC000647835238 452570474 /nfs/dbraw/zinc/57/04/74/452570474.db2.gz RTTQXDQKLNMYMR-UHFFFAOYSA-N 2 1 329.448 1.506 20 0 EDADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1(O)CCOCC1 ZINC000655776134 452572794 /nfs/dbraw/zinc/57/27/94/452572794.db2.gz IPCOGQDHDSYPPF-INIZCTEOSA-N 2 1 326.481 1.397 20 0 EDADMP COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835445 452573507 /nfs/dbraw/zinc/57/35/07/452573507.db2.gz YYPZFRITAOMROM-HNNXBMFYSA-N 2 1 334.464 1.168 20 0 EDADMP COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835445 452573513 /nfs/dbraw/zinc/57/35/13/452573513.db2.gz YYPZFRITAOMROM-HNNXBMFYSA-N 2 1 334.464 1.168 20 0 EDADMP CC(C)C[N@H+](C)CCCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000650177773 452575903 /nfs/dbraw/zinc/57/59/03/452575903.db2.gz NUWXNWRCGZHJND-UHFFFAOYSA-N 2 1 349.523 1.726 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000650177773 452575914 /nfs/dbraw/zinc/57/59/14/452575914.db2.gz NUWXNWRCGZHJND-UHFFFAOYSA-N 2 1 349.523 1.726 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666088839 452576919 /nfs/dbraw/zinc/57/69/19/452576919.db2.gz UYKQSXMAQSMCAB-HNNXBMFYSA-N 2 1 335.879 1.951 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000640293844 452589237 /nfs/dbraw/zinc/58/92/37/452589237.db2.gz BRNKVENAVGAUMB-GOSISDBHSA-N 2 1 330.476 1.950 20 0 EDADMP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000647872209 452610161 /nfs/dbraw/zinc/61/01/61/452610161.db2.gz GZCPPDSRAMMGPA-UHFFFAOYSA-N 2 1 335.326 1.431 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000647872209 452610167 /nfs/dbraw/zinc/61/01/67/452610167.db2.gz GZCPPDSRAMMGPA-UHFFFAOYSA-N 2 1 335.326 1.431 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659721493 452613093 /nfs/dbraw/zinc/61/30/93/452613093.db2.gz GWJXMRYJHROKJN-CABCVRRESA-N 2 1 338.496 1.143 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000645621507 452615590 /nfs/dbraw/zinc/61/55/90/452615590.db2.gz FYWUHXQHFZSMNE-RDJZCZTQSA-N 2 1 344.459 1.158 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000652427410 452619931 /nfs/dbraw/zinc/61/99/31/452619931.db2.gz UFBHYJNFGGQMFU-KURKYZTESA-N 2 1 337.508 1.674 20 0 EDADMP COC[C@H](CC1CCOCC1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000658001883 452674346 /nfs/dbraw/zinc/67/43/46/452674346.db2.gz HIPFXKMIMKPABS-KRWDZBQOSA-N 2 1 327.513 1.434 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC[N@H+]1CCOC ZINC000655921653 452684789 /nfs/dbraw/zinc/68/47/89/452684789.db2.gz MSEUAJUQTPMTMZ-VXGBXAGGSA-N 2 1 340.390 1.018 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655924873 452691912 /nfs/dbraw/zinc/69/19/12/452691912.db2.gz SCXBPUBKZFRGER-KWCYVHTRSA-N 2 1 344.381 1.696 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc(N2CCCC2)[nH+]1 ZINC000655927916 452694784 /nfs/dbraw/zinc/69/47/84/452694784.db2.gz JDGVUIPNUFHNBM-LBPRGKRZSA-N 2 1 345.369 1.679 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655927998 452696597 /nfs/dbraw/zinc/69/65/97/452696597.db2.gz JWIRAJXIXWYWOU-LBPRGKRZSA-N 2 1 336.358 1.633 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC000661947516 452701925 /nfs/dbraw/zinc/70/19/25/452701925.db2.gz IRWBNPTUVXNHHL-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000661947516 452701933 /nfs/dbraw/zinc/70/19/33/452701933.db2.gz IRWBNPTUVXNHHL-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000661947516 452701944 /nfs/dbraw/zinc/70/19/44/452701944.db2.gz IRWBNPTUVXNHHL-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000647962085 452704672 /nfs/dbraw/zinc/70/46/72/452704672.db2.gz MRAUMHRQCJCWCM-AQDCRGGLSA-N 2 1 347.503 1.257 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000647962085 452704675 /nfs/dbraw/zinc/70/46/75/452704675.db2.gz MRAUMHRQCJCWCM-AQDCRGGLSA-N 2 1 347.503 1.257 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC000661953139 452716477 /nfs/dbraw/zinc/71/64/77/452716477.db2.gz MGJCHECHZGVHNL-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1=O ZINC000647978410 452722587 /nfs/dbraw/zinc/72/25/87/452722587.db2.gz RKQGULRBIQLRLZ-HUUCEWRRSA-N 2 1 336.480 1.419 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964293 452745811 /nfs/dbraw/zinc/74/58/11/452745811.db2.gz YZADDPGYOYODNX-MPTYRVRUSA-N 2 1 334.464 1.483 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964293 452745820 /nfs/dbraw/zinc/74/58/20/452745820.db2.gz YZADDPGYOYODNX-MPTYRVRUSA-N 2 1 334.464 1.483 20 0 EDADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139081 452746980 /nfs/dbraw/zinc/74/69/80/452746980.db2.gz KRYDLRYQTXCSSY-UIAACRFSSA-N 3 1 329.488 1.826 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970773 452752979 /nfs/dbraw/zinc/75/29/79/452752979.db2.gz LOJFJGHTAMHUSV-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970773 452752982 /nfs/dbraw/zinc/75/29/82/452752982.db2.gz LOJFJGHTAMHUSV-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656499 452769822 /nfs/dbraw/zinc/76/98/22/452769822.db2.gz VFEKNEUTJHMXPZ-OAGGEKHMSA-N 2 1 342.528 1.904 20 0 EDADMP C[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656499 452769830 /nfs/dbraw/zinc/76/98/30/452769830.db2.gz VFEKNEUTJHMXPZ-OAGGEKHMSA-N 2 1 342.528 1.904 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664092787 452784087 /nfs/dbraw/zinc/78/40/87/452784087.db2.gz BGAJRRVSBCHGPJ-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP CCN(C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000658356790 452861417 /nfs/dbraw/zinc/86/14/17/452861417.db2.gz MGLNIDJPFUELNS-KRWDZBQOSA-N 2 1 346.475 1.282 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000648160971 452869224 /nfs/dbraw/zinc/86/92/24/452869224.db2.gz HIETYKUUPAQMGH-UHFFFAOYSA-N 2 1 331.460 1.146 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000648160086 452869634 /nfs/dbraw/zinc/86/96/34/452869634.db2.gz XCNCINFXNARYDK-UHFFFAOYSA-N 2 1 345.487 1.300 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(CCN2CCOCC2)CC2CC2)CC[N@H+]1C ZINC000664215689 452889485 /nfs/dbraw/zinc/88/94/85/452889485.db2.gz CNKMVUAZSGGYAQ-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP COc1ccc(OCCC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662155101 452892615 /nfs/dbraw/zinc/89/26/15/452892615.db2.gz HOVKHYJVDZXSRY-KRWDZBQOSA-N 2 1 334.460 1.995 20 0 EDADMP COc1ccc(OCCC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662155101 452892622 /nfs/dbraw/zinc/89/26/22/452892622.db2.gz HOVKHYJVDZXSRY-KRWDZBQOSA-N 2 1 334.460 1.995 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC000654762765 452893147 /nfs/dbraw/zinc/89/31/47/452893147.db2.gz RJJSKXJZQNZWNC-CJNGLKHVSA-N 2 1 331.464 1.520 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC000654762765 452893155 /nfs/dbraw/zinc/89/31/55/452893155.db2.gz RJJSKXJZQNZWNC-CJNGLKHVSA-N 2 1 331.464 1.520 20 0 EDADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)Nc1cccc(F)c1 ZINC000662159359 452899737 /nfs/dbraw/zinc/89/97/37/452899737.db2.gz YRHRCYQXGIZHKP-KRWDZBQOSA-N 2 1 335.423 1.685 20 0 EDADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)Nc1cccc(F)c1 ZINC000662159359 452899745 /nfs/dbraw/zinc/89/97/45/452899745.db2.gz YRHRCYQXGIZHKP-KRWDZBQOSA-N 2 1 335.423 1.685 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]3OCc4ccccc43)C2)CC1 ZINC000654775743 452907338 /nfs/dbraw/zinc/90/73/38/452907338.db2.gz SJCMQTXQPXHSGR-QFBILLFUSA-N 2 1 343.471 1.933 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C[C@H]3OCc4ccccc43)C2)CC1 ZINC000654775743 452907349 /nfs/dbraw/zinc/90/73/49/452907349.db2.gz SJCMQTXQPXHSGR-QFBILLFUSA-N 2 1 343.471 1.933 20 0 EDADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C(F)F)nc3)C2)CC1 ZINC000654775533 452908660 /nfs/dbraw/zinc/90/86/60/452908660.db2.gz OPRKTMNDLOSADA-ZDUSSCGKSA-N 2 1 338.402 1.918 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C(F)F)nc3)C2)CC1 ZINC000654775533 452908665 /nfs/dbraw/zinc/90/86/65/452908665.db2.gz OPRKTMNDLOSADA-ZDUSSCGKSA-N 2 1 338.402 1.918 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cn(-c4ccccc4)nn3)C2)C1 ZINC000650706493 452943807 /nfs/dbraw/zinc/94/38/07/452943807.db2.gz LWYBFNCUCJDEAL-FCEWJHQRSA-N 2 1 341.459 1.986 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cn(-c4ccccc4)nn3)C2)C1 ZINC000650706493 452943815 /nfs/dbraw/zinc/94/38/15/452943815.db2.gz LWYBFNCUCJDEAL-FCEWJHQRSA-N 2 1 341.459 1.986 20 0 EDADMP CO[C@H](C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000662266358 452997277 /nfs/dbraw/zinc/99/72/77/452997277.db2.gz WREWMPKANMBEOO-KBAYOESNSA-N 2 1 337.508 1.772 20 0 EDADMP CCOc1ccccc1C[N@@H+]1CCN(C[C@@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000662281040 453005008 /nfs/dbraw/zinc/00/50/08/453005008.db2.gz RYQQYYJSYMIYGX-WMZOPIPTSA-N 2 1 333.476 1.580 20 0 EDADMP CCOc1ccccc1C[N@H+]1CCN(C[C@@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000662281040 453005017 /nfs/dbraw/zinc/00/50/17/453005017.db2.gz RYQQYYJSYMIYGX-WMZOPIPTSA-N 2 1 333.476 1.580 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C[C@H]2CC2(C)C)C1 ZINC000662348361 453063939 /nfs/dbraw/zinc/06/39/39/453063939.db2.gz QMEJDCDPFYCHRG-HZPDHXFCSA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C[C@H]2CC2(C)C)C1 ZINC000662348361 453063946 /nfs/dbraw/zinc/06/39/46/453063946.db2.gz QMEJDCDPFYCHRG-HZPDHXFCSA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C[C@H]2CC2(C)C)C1 ZINC000662348361 453063954 /nfs/dbraw/zinc/06/39/54/453063954.db2.gz QMEJDCDPFYCHRG-HZPDHXFCSA-N 2 1 325.497 1.437 20 0 EDADMP C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065478 453078161 /nfs/dbraw/zinc/07/81/61/453078161.db2.gz KPRSBKQYZDCUNP-WDSOQIARSA-N 2 1 345.487 1.924 20 0 EDADMP C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065478 453078175 /nfs/dbraw/zinc/07/81/75/453078175.db2.gz KPRSBKQYZDCUNP-WDSOQIARSA-N 2 1 345.487 1.924 20 0 EDADMP CC(=O)N1CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC12CCCCC2 ZINC000660152390 453084847 /nfs/dbraw/zinc/08/48/47/453084847.db2.gz AQFREPGNMOQTRE-KRWDZBQOSA-N 2 1 325.497 1.555 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCCO)C3CC3)CC2)CC1 ZINC000654972284 453091731 /nfs/dbraw/zinc/09/17/31/453091731.db2.gz LTBRWGANPDJAEG-UHFFFAOYSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(=O)N1CCc3ccccc31)CCO2 ZINC000646103395 453103910 /nfs/dbraw/zinc/10/39/10/453103910.db2.gz FBMPNVIJNAQQMU-UHFFFAOYSA-N 2 1 343.471 1.762 20 0 EDADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3C[NH+](C)Cc4ccccc43)C2)C1 ZINC000644202216 453131696 /nfs/dbraw/zinc/13/16/96/453131696.db2.gz QPEGWFNBVMJQOK-IEBWSBKVSA-N 2 1 328.460 1.910 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3C[NH+](C)Cc4ccccc43)C2)C1 ZINC000644202216 453131703 /nfs/dbraw/zinc/13/17/03/453131703.db2.gz QPEGWFNBVMJQOK-IEBWSBKVSA-N 2 1 328.460 1.910 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)C2)C1 ZINC000644202216 453131711 /nfs/dbraw/zinc/13/17/11/453131711.db2.gz QPEGWFNBVMJQOK-IEBWSBKVSA-N 2 1 328.460 1.910 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)C2)C1 ZINC000644202216 453131721 /nfs/dbraw/zinc/13/17/21/453131721.db2.gz QPEGWFNBVMJQOK-IEBWSBKVSA-N 2 1 328.460 1.910 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000655011659 453132060 /nfs/dbraw/zinc/13/20/60/453132060.db2.gz DWESHHPJJDOZQM-PXNSSMCTSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000655011659 453132070 /nfs/dbraw/zinc/13/20/70/453132070.db2.gz DWESHHPJJDOZQM-PXNSSMCTSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000655011659 453132073 /nfs/dbraw/zinc/13/20/73/453132073.db2.gz DWESHHPJJDOZQM-PXNSSMCTSA-N 2 1 345.487 1.424 20 0 EDADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662454539 453162213 /nfs/dbraw/zinc/16/22/13/453162213.db2.gz BTABSCQDTDBBQB-SJORKVTESA-N 2 1 330.476 1.041 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000655048102 453168886 /nfs/dbraw/zinc/16/88/86/453168886.db2.gz ORUPWMJIWWGRGV-ROUUACIJSA-N 2 1 348.491 1.255 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000655048102 453168892 /nfs/dbraw/zinc/16/88/92/453168892.db2.gz ORUPWMJIWWGRGV-ROUUACIJSA-N 2 1 348.491 1.255 20 0 EDADMP CCN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664537060 453175385 /nfs/dbraw/zinc/17/53/85/453175385.db2.gz FPVYKASVHKXIQO-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP C[N@H+](Cc1cnn(CC(F)F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000646197109 453209938 /nfs/dbraw/zinc/20/99/38/453209938.db2.gz RYFAIPBTFDMPOS-INIZCTEOSA-N 2 1 341.450 1.749 20 0 EDADMP C[N@@H+](Cc1cnn(CC(F)F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000646197109 453209946 /nfs/dbraw/zinc/20/99/46/453209946.db2.gz RYFAIPBTFDMPOS-INIZCTEOSA-N 2 1 341.450 1.749 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC[C@H]21 ZINC000662502070 453218585 /nfs/dbraw/zinc/21/85/85/453218585.db2.gz HNQBXEDNMNJQNG-GOEBONIOSA-N 2 1 332.448 1.698 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000648731761 453219555 /nfs/dbraw/zinc/21/95/55/453219555.db2.gz NOSAYUTZGOFAOK-CZUORRHYSA-N 2 1 332.448 1.257 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)ccc1C[NH+](C)C ZINC000662517532 453237164 /nfs/dbraw/zinc/23/71/64/453237164.db2.gz IQWIGTJICZOLST-MRXNPFEDSA-N 2 1 332.448 1.206 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662526570 453247285 /nfs/dbraw/zinc/24/72/85/453247285.db2.gz HYRSRGBXEULDOD-QKPAOTATSA-N 2 1 345.491 1.964 20 0 EDADMP C[NH2+]CCCN(C)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662576145 453303500 /nfs/dbraw/zinc/30/35/00/453303500.db2.gz SHFWAHQYKIXRQS-UHFFFAOYSA-N 2 1 332.267 1.795 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@H+]1Cc1ccccc1 ZINC000653117730 453307458 /nfs/dbraw/zinc/30/74/58/453307458.db2.gz UQMPAOINISKQSC-HYJFEMIMSA-N 2 1 343.471 1.392 20 0 EDADMP COc1ccccc1C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000656696294 453371017 /nfs/dbraw/zinc/37/10/17/453371017.db2.gz DHSRYCCQOSSHQZ-SFHVURJKSA-N 2 1 335.492 1.514 20 0 EDADMP COc1ccccc1C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000656696294 453371023 /nfs/dbraw/zinc/37/10/23/453371023.db2.gz DHSRYCCQOSSHQZ-SFHVURJKSA-N 2 1 335.492 1.514 20 0 EDADMP Cc1ccn([C@@H](C)CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000667054746 453372112 /nfs/dbraw/zinc/37/21/12/453372112.db2.gz TZJKQOZXNQKEFI-HNNXBMFYSA-N 2 1 342.447 1.928 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662668899 453381962 /nfs/dbraw/zinc/38/19/62/453381962.db2.gz SDBHOAJHNPOHQD-HUUCEWRRSA-N 2 1 346.479 1.167 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662673500 453388264 /nfs/dbraw/zinc/38/82/64/453388264.db2.gz LMEITLPMAQWIOO-ROUUACIJSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H]1CC[NH3+] ZINC000653240739 453423971 /nfs/dbraw/zinc/42/39/71/453423971.db2.gz RRCLOKXPUXZVAB-QRQLOZEOSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H]1CC[NH3+] ZINC000653240739 453423981 /nfs/dbraw/zinc/42/39/81/453423981.db2.gz RRCLOKXPUXZVAB-QRQLOZEOSA-N 2 1 345.487 1.863 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660587132 453429237 /nfs/dbraw/zinc/42/92/37/453429237.db2.gz NSYRDNWDBUVULR-GOEBONIOSA-N 2 1 326.485 1.269 20 0 EDADMP C[N@H+]1CC[C@@]2(C1)CCCN(CC(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000660656781 453493728 /nfs/dbraw/zinc/49/37/28/453493728.db2.gz XYEDLZMPQPNOCU-LJQANCHMSA-N 2 1 334.508 1.147 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662791631 453525549 /nfs/dbraw/zinc/52/55/49/453525549.db2.gz WWHWZSYHSWNLBF-UHFFFAOYSA-N 2 1 330.476 1.042 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000660702264 453526079 /nfs/dbraw/zinc/52/60/79/453526079.db2.gz WZXSCXVBNFKBEQ-CABCVRRESA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000660702264 453526088 /nfs/dbraw/zinc/52/60/88/453526088.db2.gz WZXSCXVBNFKBEQ-CABCVRRESA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000660702264 453526093 /nfs/dbraw/zinc/52/60/93/453526093.db2.gz WZXSCXVBNFKBEQ-CABCVRRESA-N 2 1 326.485 1.269 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000660702265 453526726 /nfs/dbraw/zinc/52/67/26/453526726.db2.gz WZXSCXVBNFKBEQ-GJZGRUSLSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000660702265 453526730 /nfs/dbraw/zinc/52/67/30/453526730.db2.gz WZXSCXVBNFKBEQ-GJZGRUSLSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000660702265 453526735 /nfs/dbraw/zinc/52/67/35/453526735.db2.gz WZXSCXVBNFKBEQ-GJZGRUSLSA-N 2 1 326.485 1.269 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000655443147 453530498 /nfs/dbraw/zinc/53/04/98/453530498.db2.gz BUNUCFLHEIHHAI-ZIFCJYIRSA-N 2 1 337.508 1.629 20 0 EDADMP [NH3+]C1(CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CCCC1 ZINC000658986723 453566667 /nfs/dbraw/zinc/56/66/67/453566667.db2.gz ACHILXZKQDNVOS-UHFFFAOYSA-N 2 1 346.475 1.954 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662860127 453575305 /nfs/dbraw/zinc/57/53/05/453575305.db2.gz QORDKLQFUDKMDI-RBUKOAKNSA-N 2 1 347.503 1.881 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000660823917 453588105 /nfs/dbraw/zinc/58/81/05/453588105.db2.gz JEONYUBKFYTMNG-INIZCTEOSA-N 2 1 340.537 1.456 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660823917 453588107 /nfs/dbraw/zinc/58/81/07/453588107.db2.gz JEONYUBKFYTMNG-INIZCTEOSA-N 2 1 340.537 1.456 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000660827846 453591369 /nfs/dbraw/zinc/59/13/69/453591369.db2.gz UCMBTBDFCCRKAZ-DLBZAZTESA-N 2 1 334.508 1.892 20 0 EDADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000660827846 453591374 /nfs/dbraw/zinc/59/13/74/453591374.db2.gz UCMBTBDFCCRKAZ-DLBZAZTESA-N 2 1 334.508 1.892 20 0 EDADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660827846 453591377 /nfs/dbraw/zinc/59/13/77/453591377.db2.gz UCMBTBDFCCRKAZ-DLBZAZTESA-N 2 1 334.508 1.892 20 0 EDADMP C[C@H]1COCCN1CCNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660855210 453612200 /nfs/dbraw/zinc/61/22/00/453612200.db2.gz LOIPTKZPTCMDMH-DOTOQJQBSA-N 2 1 338.496 1.128 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662939412 453615170 /nfs/dbraw/zinc/61/51/70/453615170.db2.gz FWUKDBLDCMUYTH-NJAFHUGGSA-N 2 1 332.492 1.292 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662939412 453615172 /nfs/dbraw/zinc/61/51/72/453615172.db2.gz FWUKDBLDCMUYTH-NJAFHUGGSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000660863319 453620162 /nfs/dbraw/zinc/62/01/62/453620162.db2.gz IFDDYEIQQGZJEW-OAHLLOKOSA-N 2 1 347.459 1.306 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000660863319 453620165 /nfs/dbraw/zinc/62/01/65/453620165.db2.gz IFDDYEIQQGZJEW-OAHLLOKOSA-N 2 1 347.459 1.306 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000660863319 453620170 /nfs/dbraw/zinc/62/01/70/453620170.db2.gz IFDDYEIQQGZJEW-OAHLLOKOSA-N 2 1 347.459 1.306 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000660863319 453620175 /nfs/dbraw/zinc/62/01/75/453620175.db2.gz IFDDYEIQQGZJEW-OAHLLOKOSA-N 2 1 347.459 1.306 20 0 EDADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000665292342 453639225 /nfs/dbraw/zinc/63/92/25/453639225.db2.gz YYNNBXDPQBQEIA-CZUORRHYSA-N 2 1 328.416 1.898 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1(C)C ZINC000663003278 453643722 /nfs/dbraw/zinc/64/37/22/453643722.db2.gz LGCBJXYZTHKSPP-GPMSIDNRSA-N 2 1 337.508 1.757 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000659389692 453736572 /nfs/dbraw/zinc/73/65/72/453736572.db2.gz PKEABQQLGUFKEZ-LTCOOKNTSA-N 2 1 349.450 1.807 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000659389692 453736576 /nfs/dbraw/zinc/73/65/76/453736576.db2.gz PKEABQQLGUFKEZ-LTCOOKNTSA-N 2 1 349.450 1.807 20 0 EDADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000663364649 453780859 /nfs/dbraw/zinc/78/08/59/453780859.db2.gz SURWUVSRSGWXMM-RBUKOAKNSA-N 2 1 348.487 1.886 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000661402616 453811645 /nfs/dbraw/zinc/81/16/45/453811645.db2.gz HKEUJZCAEMHQJF-GJZGRUSLSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000661402616 453811647 /nfs/dbraw/zinc/81/16/47/453811647.db2.gz HKEUJZCAEMHQJF-GJZGRUSLSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000661402616 453811650 /nfs/dbraw/zinc/81/16/50/453811650.db2.gz HKEUJZCAEMHQJF-GJZGRUSLSA-N 2 1 340.512 1.346 20 0 EDADMP Cc1cn[nH]c1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663514106 453813969 /nfs/dbraw/zinc/81/39/69/453813969.db2.gz WRHPVNZHXSQRTO-CQSZACIVSA-N 2 1 329.452 1.230 20 0 EDADMP C[C@H](NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000676245897 486706209 /nfs/dbraw/zinc/70/62/09/486706209.db2.gz PPBGNQUGJWHOPR-XUWVNRHRSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000676245897 486706213 /nfs/dbraw/zinc/70/62/13/486706213.db2.gz PPBGNQUGJWHOPR-XUWVNRHRSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](NC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000676245897 486706216 /nfs/dbraw/zinc/70/62/16/486706216.db2.gz PPBGNQUGJWHOPR-XUWVNRHRSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](NC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000676245897 486706220 /nfs/dbraw/zinc/70/62/20/486706220.db2.gz PPBGNQUGJWHOPR-XUWVNRHRSA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC000680110963 486707887 /nfs/dbraw/zinc/70/78/87/486707887.db2.gz WUTFXJMCDQUXHI-GOSISDBHSA-N 2 1 349.450 1.879 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC000680110963 486707891 /nfs/dbraw/zinc/70/78/91/486707891.db2.gz WUTFXJMCDQUXHI-GOSISDBHSA-N 2 1 349.450 1.879 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000676250301 486708148 /nfs/dbraw/zinc/70/81/48/486708148.db2.gz GJWFPDNQLCWDAN-OWCLPIDISA-N 2 1 326.485 1.079 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000676250301 486708149 /nfs/dbraw/zinc/70/81/49/486708149.db2.gz GJWFPDNQLCWDAN-OWCLPIDISA-N 2 1 326.485 1.079 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000676250301 486708152 /nfs/dbraw/zinc/70/81/52/486708152.db2.gz GJWFPDNQLCWDAN-OWCLPIDISA-N 2 1 326.485 1.079 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000676250301 486708154 /nfs/dbraw/zinc/70/81/54/486708154.db2.gz GJWFPDNQLCWDAN-OWCLPIDISA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)(C)[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1O ZINC000680388024 486764895 /nfs/dbraw/zinc/76/48/95/486764895.db2.gz FVYZGXACHLHMKN-DLBZAZTESA-N 2 1 337.508 1.458 20 0 EDADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000576965416 486772757 /nfs/dbraw/zinc/77/27/57/486772757.db2.gz BITWGCOSHFTTFN-IRXDYDNUSA-N 2 1 345.491 1.858 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000576965416 486772759 /nfs/dbraw/zinc/77/27/59/486772759.db2.gz BITWGCOSHFTTFN-IRXDYDNUSA-N 2 1 345.491 1.858 20 0 EDADMP C[C@@H](CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C[NH+]1CCCCC1 ZINC000672750833 486789602 /nfs/dbraw/zinc/78/96/02/486789602.db2.gz ZGXYGAAHBBEKLY-INIZCTEOSA-N 2 1 340.512 1.207 20 0 EDADMP c1cc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667497655 486810854 /nfs/dbraw/zinc/81/08/54/486810854.db2.gz JXSLOPWRIJBJTG-LJQANCHMSA-N 2 1 341.459 1.954 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)c1ccccc1 ZINC000667990172 487049931 /nfs/dbraw/zinc/04/99/31/487049931.db2.gz SZJLCEPDWITBIC-KRWDZBQOSA-N 2 1 333.476 1.595 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000677429897 487078490 /nfs/dbraw/zinc/07/84/90/487078490.db2.gz NUUALQFIDMCVLB-AEFFLSMTSA-N 2 1 328.460 1.957 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000677429897 487078493 /nfs/dbraw/zinc/07/84/93/487078493.db2.gz NUUALQFIDMCVLB-AEFFLSMTSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000677429897 487078496 /nfs/dbraw/zinc/07/84/96/487078496.db2.gz NUUALQFIDMCVLB-AEFFLSMTSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000677429897 487078499 /nfs/dbraw/zinc/07/84/99/487078499.db2.gz NUUALQFIDMCVLB-AEFFLSMTSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2coc(C3CC3)n2)CC1 ZINC000681592939 487101165 /nfs/dbraw/zinc/10/11/65/487101165.db2.gz FRMWBMNLDLESBV-UHFFFAOYSA-N 2 1 327.388 1.951 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(NS(C)(=O)=O)c3)CC[C@H]21 ZINC000678341243 487291733 /nfs/dbraw/zinc/29/17/33/487291733.db2.gz ZMIUXRGYKCSCBB-DOTOQJQBSA-N 2 1 337.489 1.974 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(NS(C)(=O)=O)c3)CC[C@H]21 ZINC000678341243 487291735 /nfs/dbraw/zinc/29/17/35/487291735.db2.gz ZMIUXRGYKCSCBB-DOTOQJQBSA-N 2 1 337.489 1.974 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(NS(C)(=O)=O)c3)CC[C@H]21 ZINC000678341243 487291736 /nfs/dbraw/zinc/29/17/36/487291736.db2.gz ZMIUXRGYKCSCBB-DOTOQJQBSA-N 2 1 337.489 1.974 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(NS(C)(=O)=O)c3)CC[C@H]21 ZINC000678341243 487291738 /nfs/dbraw/zinc/29/17/38/487291738.db2.gz ZMIUXRGYKCSCBB-DOTOQJQBSA-N 2 1 337.489 1.974 20 0 EDADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000678929615 487379714 /nfs/dbraw/zinc/37/97/14/487379714.db2.gz LUDVFVRRSQVSEN-AQNXPRMDSA-N 2 1 329.488 1.786 20 0 EDADMP CC[NH+](C[C@H]1CCOC1)CC1(C[N@@H+](CC)C[C@H]2CCOC2)COC1 ZINC000679850316 487468608 /nfs/dbraw/zinc/46/86/08/487468608.db2.gz CTWOFQUGPREOHQ-QZTJIDSGSA-N 2 1 340.508 1.720 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC000669555798 485557332 /nfs/dbraw/zinc/55/73/32/485557332.db2.gz HVVWVZIVZSSSTE-JKQORVJESA-N 2 1 338.496 1.397 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669561061 485568884 /nfs/dbraw/zinc/56/88/84/485568884.db2.gz AYGYQRVXPSPKLJ-NXHRZFHOSA-N 2 1 330.476 1.948 20 0 EDADMP CN(C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC([NH3+])C1 ZINC000669570365 485587746 /nfs/dbraw/zinc/58/77/46/485587746.db2.gz XEPXBUZJIFZNHK-OFLPRAFFSA-N 2 1 348.516 1.735 20 0 EDADMP CN(C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C1CC([NH3+])C1 ZINC000669570365 485587752 /nfs/dbraw/zinc/58/77/52/485587752.db2.gz XEPXBUZJIFZNHK-OFLPRAFFSA-N 2 1 348.516 1.735 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)CCC(F)(F)F ZINC000669570121 485587834 /nfs/dbraw/zinc/58/78/34/485587834.db2.gz RQJSDMJKUXAZPG-NWDGAFQWSA-N 2 1 340.390 1.018 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000669578664 485622691 /nfs/dbraw/zinc/62/26/91/485622691.db2.gz WNVRDWDPDQKGDL-XIRDDKMYSA-N 2 1 338.496 1.541 20 0 EDADMP COC[C@H](NCC(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000672602849 485937631 /nfs/dbraw/zinc/93/76/31/485937631.db2.gz FSPDKYPCHIJGEN-AWEZNQCLSA-N 2 1 343.830 1.530 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CC(C)(C)[NH3+])cc2)CC1 ZINC000236868438 485942009 /nfs/dbraw/zinc/94/20/09/485942009.db2.gz LCZXDKMCXUSBAJ-UHFFFAOYSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH2+]C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000669367563 486014907 /nfs/dbraw/zinc/01/49/07/486014907.db2.gz JHWIYXAKIPXKRK-INIZCTEOSA-N 2 1 345.491 1.248 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669405919 486077870 /nfs/dbraw/zinc/07/78/70/486077870.db2.gz OCQBOMHVFSBBSM-QXSJWSMHSA-N 2 1 340.512 1.501 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000669420205 486139220 /nfs/dbraw/zinc/13/92/20/486139220.db2.gz DOXXXEVPJFVVCR-QZTJIDSGSA-N 2 1 330.476 1.950 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000669427254 486149031 /nfs/dbraw/zinc/14/90/31/486149031.db2.gz SVTXWBAPOPDLKX-PBHICJAKSA-N 2 1 334.464 1.396 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494914 486267676 /nfs/dbraw/zinc/26/76/76/486267676.db2.gz VDPSCTUWWFCXIK-SOLBZPMBSA-N 2 1 348.491 1.573 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494914 486267679 /nfs/dbraw/zinc/26/76/79/486267679.db2.gz VDPSCTUWWFCXIK-SOLBZPMBSA-N 2 1 348.491 1.573 20 0 EDADMP CC1CC[NH+](C2CCC(NC(=O)CN3CC[NH+](C)CC3)CC2)CC1 ZINC000129016553 491017906 /nfs/dbraw/zinc/01/79/06/491017906.db2.gz WQZQWGFQDCNTFH-UHFFFAOYSA-N 2 1 336.524 1.393 20 0 EDADMP CC(C)[NH+](CCNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000047684349 491166938 /nfs/dbraw/zinc/16/69/38/491166938.db2.gz KXAOSJCGJQANJL-YESZJQIVSA-N 2 1 342.528 1.902 20 0 EDADMP CC(C)[NH+](CCNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000047684349 491166941 /nfs/dbraw/zinc/16/69/41/491166941.db2.gz KXAOSJCGJQANJL-YESZJQIVSA-N 2 1 342.528 1.902 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[N@H+]1C1CC1 ZINC000177048891 533941594 /nfs/dbraw/zinc/94/15/94/533941594.db2.gz KDWAVJVCMXWFAR-ZBFHGGJFSA-N 2 1 343.475 1.188 20 0 EDADMP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000340183806 536491507 /nfs/dbraw/zinc/49/15/07/536491507.db2.gz GANLPGYUTQRLSL-HNNXBMFYSA-N 2 1 333.476 1.977 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(N3CCOCC3)CCSC2)[C@H](C)C1 ZINC000154416309 527881524 /nfs/dbraw/zinc/88/15/24/527881524.db2.gz HTXNITWKJOJWGA-IXDOHACOSA-N 2 1 327.538 1.514 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)c1cccc(OC)c1 ZINC000163965090 528244010 /nfs/dbraw/zinc/24/40/10/528244010.db2.gz KBLAPISASOKLPQ-SJORKVTESA-N 2 1 335.448 1.183 20 0 EDADMP CC(C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC000331878869 534999534 /nfs/dbraw/zinc/99/95/34/534999534.db2.gz DQKIBPWGGSDUFF-YVSFHVDLSA-N 2 1 338.496 1.112 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000124865109 535132113 /nfs/dbraw/zinc/13/21/13/535132113.db2.gz AQXSPUUQCFNFEO-HNNXBMFYSA-N 2 1 336.484 1.544 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000333869211 535189117 /nfs/dbraw/zinc/18/91/17/535189117.db2.gz BJJIJEOZCOTVLG-AEFFLSMTSA-N 2 1 338.496 1.128 20 0 EDADMP CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000339522389 535468484 /nfs/dbraw/zinc/46/84/84/535468484.db2.gz XZUDYWPMAAQEDC-HUUCEWRRSA-N 2 1 340.512 1.658 20 0 EDADMP CC[NH+](CC)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000076673571 535666759 /nfs/dbraw/zinc/66/67/59/535666759.db2.gz GABMMBXTBYCPSL-MRXNPFEDSA-N 2 1 333.476 1.865 20 0 EDADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000353318298 535732993 /nfs/dbraw/zinc/73/29/93/535732993.db2.gz ZBYDHFFWZSRBQN-QZTJIDSGSA-N 2 1 336.524 1.489 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C)cc3)C2)CC1 ZINC000245934001 535733667 /nfs/dbraw/zinc/73/36/67/535733667.db2.gz RPLAOGDFIFXIPU-RTBURBONSA-N 2 1 347.503 1.447 20 0 EDADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH2+]C)c2cnn(C)c2)C1 ZINC000262450305 535819797 /nfs/dbraw/zinc/81/97/97/535819797.db2.gz VWEVVFYZKVBJSH-GDBMZVCRSA-N 2 1 335.496 1.697 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH2+]C)c2cnn(C)c2)C1 ZINC000262450305 535819798 /nfs/dbraw/zinc/81/97/98/535819798.db2.gz VWEVVFYZKVBJSH-GDBMZVCRSA-N 2 1 335.496 1.697 20 0 EDADMP CC[C@H](NC(=O)[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262626385 535851922 /nfs/dbraw/zinc/85/19/22/535851922.db2.gz BVQCFAFIYAESMK-OKZBNKHCSA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@H](NC(=O)[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262626385 535851930 /nfs/dbraw/zinc/85/19/30/535851930.db2.gz BVQCFAFIYAESMK-OKZBNKHCSA-N 2 1 331.460 1.392 20 0 EDADMP CN(C)c1nc(N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)cc[nH+]1 ZINC000354340139 536013123 /nfs/dbraw/zinc/01/31/23/536013123.db2.gz PHGYRLDMUQJTBI-UHFFFAOYSA-N 2 1 341.463 1.326 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000041892457 536035663 /nfs/dbraw/zinc/03/56/63/536035663.db2.gz XXMZKKALRCIMAS-HNNXBMFYSA-N 2 1 344.459 1.287 20 0 EDADMP Cn1nccc1[C@@H]1[C@@H](CNC(=O)NCC[N@@H+](C)C2CC2)CCC[NH+]1C ZINC000347445949 536380927 /nfs/dbraw/zinc/38/09/27/536380927.db2.gz GSLBOIFASUADDA-PBHICJAKSA-N 2 1 348.495 1.196 20 0 EDADMP Cn1nccc1[C@@H]1[C@@H](CNC(=O)NCC[NH+](C)C2CC2)CCC[N@@H+]1C ZINC000347445949 536380928 /nfs/dbraw/zinc/38/09/28/536380928.db2.gz GSLBOIFASUADDA-PBHICJAKSA-N 2 1 348.495 1.196 20 0 EDADMP Cn1nccc1[C@@H]1[C@@H](CNC(=O)NCC[NH+](C)C2CC2)CCC[N@H+]1C ZINC000347445949 536380932 /nfs/dbraw/zinc/38/09/32/536380932.db2.gz GSLBOIFASUADDA-PBHICJAKSA-N 2 1 348.495 1.196 20 0 EDADMP C[N@@H+](CCNC(=O)c1csc(CC[NH3+])n1)Cc1ccc(F)cc1 ZINC000194840069 536386363 /nfs/dbraw/zinc/38/63/63/536386363.db2.gz IANIWHPKKKVGOP-UHFFFAOYSA-N 2 1 336.436 1.645 20 0 EDADMP COC1(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000261559204 536540224 /nfs/dbraw/zinc/54/02/24/536540224.db2.gz DPIWKFVVODPPOM-AEFFLSMTSA-N 2 1 345.487 1.782 20 0 EDADMP COCC1(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000262383871 536813658 /nfs/dbraw/zinc/81/36/58/536813658.db2.gz OKAJFBXNSRPUMU-MRXNPFEDSA-N 2 1 345.487 1.566 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000339408541 536867818 /nfs/dbraw/zinc/86/78/18/536867818.db2.gz RUWCQXWHVVTXNQ-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP CCC[C@@]1(C)CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000743408453 579479569 /nfs/dbraw/zinc/47/95/69/579479569.db2.gz YKGMJFHUBUAABK-KRWDZBQOSA-N 2 1 336.480 1.862 20 0 EDADMP CCC[C@@]1(C)CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000743408453 579479571 /nfs/dbraw/zinc/47/95/71/579479571.db2.gz YKGMJFHUBUAABK-KRWDZBQOSA-N 2 1 336.480 1.862 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752315658 578557045 /nfs/dbraw/zinc/55/70/45/578557045.db2.gz UMRUZQMOBUKJKL-UHFFFAOYSA-N 2 1 337.508 1.823 20 0 EDADMP C[C@H]1CN(C[C@H]2CN(C)CCO2)CC[N@H+]1CC1(O)CCCCC1 ZINC000729930958 578602835 /nfs/dbraw/zinc/60/28/35/578602835.db2.gz SMSROMOIDMCGBZ-DLBZAZTESA-N 2 1 325.497 1.018 20 0 EDADMP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CC1(O)CCCCC1 ZINC000729930958 578602837 /nfs/dbraw/zinc/60/28/37/578602837.db2.gz SMSROMOIDMCGBZ-DLBZAZTESA-N 2 1 325.497 1.018 20 0 EDADMP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CC1(O)CCCCC1 ZINC000729930958 578602838 /nfs/dbraw/zinc/60/28/38/578602838.db2.gz SMSROMOIDMCGBZ-DLBZAZTESA-N 2 1 325.497 1.018 20 0 EDADMP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CC1(O)CCCCC1 ZINC000729930958 578602839 /nfs/dbraw/zinc/60/28/39/578602839.db2.gz SMSROMOIDMCGBZ-DLBZAZTESA-N 2 1 325.497 1.018 20 0 EDADMP C[C@H]([NH2+]C(C)(C)CNC(=O)CC[NH+]1CCOCC1)c1ccccc1 ZINC000731629259 578677463 /nfs/dbraw/zinc/67/74/63/578677463.db2.gz AJSAKUBWLDELIU-INIZCTEOSA-N 2 1 333.476 1.954 20 0 EDADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCCCCCC[NH+](C)C ZINC000732456361 578713585 /nfs/dbraw/zinc/71/35/85/578713585.db2.gz OVAJUASOROOTLY-INIZCTEOSA-N 2 1 327.517 1.044 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000734276905 578804525 /nfs/dbraw/zinc/80/45/25/578804525.db2.gz UBEQGSPJMWWQEB-KRWDZBQOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000736198702 578962369 /nfs/dbraw/zinc/96/23/69/578962369.db2.gz TUDGFFUTTYAARX-CQSZACIVSA-N 2 1 344.463 1.706 20 0 EDADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000736198702 578962370 /nfs/dbraw/zinc/96/23/70/578962370.db2.gz TUDGFFUTTYAARX-CQSZACIVSA-N 2 1 344.463 1.706 20 0 EDADMP C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)C[C@H]1CCC[NH+](C)C1 ZINC000736855521 579026650 /nfs/dbraw/zinc/02/66/50/579026650.db2.gz HHJWLDFKQGORQA-AWEZNQCLSA-N 2 1 339.447 1.893 20 0 EDADMP C[NH+](Cc1cn2ccccc2c1-c1nn[nH]n1)C[C@H]1CCC[N@H+](C)C1 ZINC000736855521 579026651 /nfs/dbraw/zinc/02/66/51/579026651.db2.gz HHJWLDFKQGORQA-AWEZNQCLSA-N 2 1 339.447 1.893 20 0 EDADMP C[NH+](Cc1cn2ccccc2c1-c1nn[nH]n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000736855521 579026652 /nfs/dbraw/zinc/02/66/52/579026652.db2.gz HHJWLDFKQGORQA-AWEZNQCLSA-N 2 1 339.447 1.893 20 0 EDADMP C[C@H](CNC(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000747554070 579648683 /nfs/dbraw/zinc/64/86/83/579648683.db2.gz CTFGGDWVUDRWHH-LSDHHAIUSA-N 2 1 336.484 1.687 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-n2ccnc2)nc1 ZINC000749546336 579730038 /nfs/dbraw/zinc/73/00/38/579730038.db2.gz PLQRMLIIUOSHQE-KZNAEPCWSA-N 2 1 341.459 1.951 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-n2ccnc2)nc1 ZINC000749546336 579730039 /nfs/dbraw/zinc/73/00/39/579730039.db2.gz PLQRMLIIUOSHQE-KZNAEPCWSA-N 2 1 341.459 1.951 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-n2ccnc2)nc1 ZINC000749546335 579730076 /nfs/dbraw/zinc/73/00/76/579730076.db2.gz PLQRMLIIUOSHQE-KURKYZTESA-N 2 1 341.459 1.951 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-n2ccnc2)nc1 ZINC000749546335 579730077 /nfs/dbraw/zinc/73/00/77/579730077.db2.gz PLQRMLIIUOSHQE-KURKYZTESA-N 2 1 341.459 1.951 20 0 EDADMP C[C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)N1CC[NH+](C)CC1 ZINC000751053962 579792882 /nfs/dbraw/zinc/79/28/82/579792882.db2.gz IJPKFROAVZZNLE-AOCRQIFASA-N 2 1 336.524 1.536 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000753919783 579891081 /nfs/dbraw/zinc/89/10/81/579891081.db2.gz WDZHYGPYSVDTEQ-WMZOPIPTSA-N 2 1 331.460 1.660 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000763133934 580093687 /nfs/dbraw/zinc/09/36/87/580093687.db2.gz KZRJNVDABFBBKT-LEOMRAHMSA-N 2 1 338.496 1.149 20 0 EDADMP Cc1ccc(CNC(=S)NCCC[NH+](C)C)c(N2CCCC2)[nH+]1 ZINC000781109407 580542197 /nfs/dbraw/zinc/54/21/97/580542197.db2.gz MLKCHQWTGSEFJL-UHFFFAOYSA-N 2 1 335.521 1.906 20 0 EDADMP Cn1cncc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000783989711 580610531 /nfs/dbraw/zinc/61/05/31/580610531.db2.gz IANKFWXLNSOSNF-IAGOWNOFSA-N 2 1 345.491 1.357 20 0 EDADMP CC(C)(CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000790290969 580766169 /nfs/dbraw/zinc/76/61/69/580766169.db2.gz RJPMLMMVNITIPM-JKSUJKDBSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCCO1 ZINC000891857147 590658069 /nfs/dbraw/zinc/65/80/69/590658069.db2.gz ZAIZIDHIFFXWOY-HZPDHXFCSA-N 2 1 340.512 1.565 20 0 EDADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000891882161 590668079 /nfs/dbraw/zinc/66/80/79/590668079.db2.gz PFWQKSMUQCEPFI-OALUTQOASA-N 2 1 342.487 1.923 20 0 EDADMP C[NH+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000891882161 590668082 /nfs/dbraw/zinc/66/80/82/590668082.db2.gz PFWQKSMUQCEPFI-OALUTQOASA-N 2 1 342.487 1.923 20 0 EDADMP C[NH+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000891882161 590668085 /nfs/dbraw/zinc/66/80/85/590668085.db2.gz PFWQKSMUQCEPFI-OALUTQOASA-N 2 1 342.487 1.923 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891907625 590683223 /nfs/dbraw/zinc/68/32/23/590683223.db2.gz YFDAXPDQABRGIM-GFCCVEGCSA-N 2 1 339.509 1.790 20 0 EDADMP C[N@@H+](CCCO)C1CCN([C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892045690 590770145 /nfs/dbraw/zinc/77/01/45/590770145.db2.gz ZRYSXGDHQRHIRA-CVEARBPZSA-N 2 1 330.444 1.399 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000892343429 590971635 /nfs/dbraw/zinc/97/16/35/590971635.db2.gz QGLNKZSEYDJSLI-PKOBYXMFSA-N 2 1 342.487 1.958 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000891340663 591050289 /nfs/dbraw/zinc/05/02/89/591050289.db2.gz RBMQVIUDCABRPN-MRXNPFEDSA-N 2 1 339.528 1.090 20 0 EDADMP CN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C)C1 ZINC000891534633 591111820 /nfs/dbraw/zinc/11/18/20/591111820.db2.gz NPHIBWRNEWKYKZ-QZTJIDSGSA-N 2 1 332.492 1.895 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000891597493 591142283 /nfs/dbraw/zinc/14/22/83/591142283.db2.gz IUUCTOCOTXTDPG-INIZCTEOSA-N 2 1 342.528 1.572 20 0 EDADMP C[C@H](CNC(=O)N(C)CCCCCC[NH3+])CN1CC[NH+](C)CC1 ZINC000891603924 591145195 /nfs/dbraw/zinc/14/51/95/591145195.db2.gz SSPZDZKVGGTPLZ-MRXNPFEDSA-N 2 1 327.517 1.030 20 0 EDADMP CNC(=O)CC[N@@H+](C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000893999045 591163872 /nfs/dbraw/zinc/16/38/72/591163872.db2.gz PCQYTZZVSBEKDB-UHFFFAOYSA-N 2 1 343.374 1.638 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894093147 591190516 /nfs/dbraw/zinc/19/05/16/591190516.db2.gz CXXWYYDSCJQRSV-COXVUDFISA-N 2 1 330.432 1.952 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894093147 591190518 /nfs/dbraw/zinc/19/05/18/591190518.db2.gz CXXWYYDSCJQRSV-COXVUDFISA-N 2 1 330.432 1.952 20 0 EDADMP C[C@@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000894105250 591195629 /nfs/dbraw/zinc/19/56/29/591195629.db2.gz GLEPGZGNDXQJFY-TWMKSMIVSA-N 2 1 334.508 1.842 20 0 EDADMP C[C@@H](NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894105250 591195631 /nfs/dbraw/zinc/19/56/31/591195631.db2.gz GLEPGZGNDXQJFY-TWMKSMIVSA-N 2 1 334.508 1.842 20 0 EDADMP C[C@@H](NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000894105250 591195633 /nfs/dbraw/zinc/19/56/33/591195633.db2.gz GLEPGZGNDXQJFY-TWMKSMIVSA-N 2 1 334.508 1.842 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H]1c1ccc(Cl)cc1 ZINC000891731214 591201970 /nfs/dbraw/zinc/20/19/70/591201970.db2.gz VSGJSKROKVOVMF-VGWMRTNUSA-N 2 1 334.851 1.841 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H]1c1ccc(Cl)cc1 ZINC000891731214 591201971 /nfs/dbraw/zinc/20/19/71/591201971.db2.gz VSGJSKROKVOVMF-VGWMRTNUSA-N 2 1 334.851 1.841 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000892883752 591216346 /nfs/dbraw/zinc/21/63/46/591216346.db2.gz FCLDHHSYKUWSKF-OAHLLOKOSA-N 2 1 340.512 1.659 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000895656195 591241731 /nfs/dbraw/zinc/24/17/31/591241731.db2.gz YDRBIRLYDBSYKS-HRCADAONSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000895656195 591241734 /nfs/dbraw/zinc/24/17/34/591241734.db2.gz YDRBIRLYDBSYKS-HRCADAONSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000895656195 591241736 /nfs/dbraw/zinc/24/17/36/591241736.db2.gz YDRBIRLYDBSYKS-HRCADAONSA-N 2 1 338.496 1.100 20 0 EDADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000894424865 591308362 /nfs/dbraw/zinc/30/83/62/591308362.db2.gz AODAFIFOOUUBBF-SJORKVTESA-N 2 1 339.480 1.698 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)cn1 ZINC000895985567 591318177 /nfs/dbraw/zinc/31/81/77/591318177.db2.gz OWHORLGTQFJSNM-HNNXBMFYSA-N 2 1 331.424 1.187 20 0 EDADMP CN(Cc1ccc2oc(=O)oc2c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894770592 591411112 /nfs/dbraw/zinc/41/11/12/591411112.db2.gz RSEUAGQFHMVCRZ-MRXNPFEDSA-N 2 1 345.443 1.986 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000897508765 591509888 /nfs/dbraw/zinc/50/98/88/591509888.db2.gz SCPGIYAZJBPVCI-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000897508765 591509892 /nfs/dbraw/zinc/50/98/92/591509892.db2.gz SCPGIYAZJBPVCI-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000897508765 591509896 /nfs/dbraw/zinc/50/98/96/591509896.db2.gz SCPGIYAZJBPVCI-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)NCc2nc(CN(C)C)cs2)C1 ZINC000896595757 591546222 /nfs/dbraw/zinc/54/62/22/591546222.db2.gz ZNMLODFCKUEDPF-LBPRGKRZSA-N 2 1 325.482 1.346 20 0 EDADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000895270149 591693557 /nfs/dbraw/zinc/69/35/57/591693557.db2.gz YAEKMUQGJBELKP-ZBFHGGJFSA-N 2 1 334.489 1.556 20 0 EDADMP CO[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)Cc3cccnc3N2C1 ZINC000899163769 591712622 /nfs/dbraw/zinc/71/26/22/591712622.db2.gz JQQIFLHDAJJYNF-ARFHVFGLSA-N 2 1 330.432 1.112 20 0 EDADMP CO[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCN3C)Cc3cccnc3N2C1 ZINC000899163769 591712628 /nfs/dbraw/zinc/71/26/28/591712628.db2.gz JQQIFLHDAJJYNF-ARFHVFGLSA-N 2 1 330.432 1.112 20 0 EDADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000897218110 591772227 /nfs/dbraw/zinc/77/22/27/591772227.db2.gz JVEIYMZAXIXGFU-YJBOKZPZSA-N 2 1 345.491 1.980 20 0 EDADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000897218110 591772230 /nfs/dbraw/zinc/77/22/30/591772230.db2.gz JVEIYMZAXIXGFU-YJBOKZPZSA-N 2 1 345.491 1.980 20 0 EDADMP O=C(C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N1CCc2ccccc21 ZINC000895488820 591774716 /nfs/dbraw/zinc/77/47/16/591774716.db2.gz VSDWOYBEZICSJM-SFHVURJKSA-N 2 1 343.471 1.809 20 0 EDADMP COCCC[N@@H+](C)CCOc1ccc(-c2cnn(C)c2C[NH3+])cc1 ZINC000899324515 591775660 /nfs/dbraw/zinc/77/56/60/591775660.db2.gz MZINUEQEOAQUPB-UHFFFAOYSA-N 2 1 332.448 1.893 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604918 591816672 /nfs/dbraw/zinc/81/66/72/591816672.db2.gz GKVWIYQBGPMDFA-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604918 591816676 /nfs/dbraw/zinc/81/66/76/591816676.db2.gz GKVWIYQBGPMDFA-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604918 591816682 /nfs/dbraw/zinc/81/66/82/591816682.db2.gz GKVWIYQBGPMDFA-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604918 591816685 /nfs/dbraw/zinc/81/66/85/591816685.db2.gz GKVWIYQBGPMDFA-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP COc1c[nH]c(CO)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1=O ZINC000902195659 591942291 /nfs/dbraw/zinc/94/22/91/591942291.db2.gz MYLVLWHFBANHEB-GUYCJALGSA-N 2 1 347.459 1.325 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900214569 591945240 /nfs/dbraw/zinc/94/52/40/591945240.db2.gz FHEBRACNDQCRJM-AEFFLSMTSA-N 2 1 325.497 1.604 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900214569 591945243 /nfs/dbraw/zinc/94/52/43/591945243.db2.gz FHEBRACNDQCRJM-AEFFLSMTSA-N 2 1 325.497 1.604 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900214569 591945244 /nfs/dbraw/zinc/94/52/44/591945244.db2.gz FHEBRACNDQCRJM-AEFFLSMTSA-N 2 1 325.497 1.604 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000899808147 591945302 /nfs/dbraw/zinc/94/53/02/591945302.db2.gz ATPFZBVEBPKWQK-JKSUJKDBSA-N 2 1 332.448 1.087 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900219602 591947165 /nfs/dbraw/zinc/94/71/65/591947165.db2.gz ZNYZACLSLMFSKW-SOLBZPMBSA-N 2 1 325.497 1.317 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900219602 591947168 /nfs/dbraw/zinc/94/71/68/591947168.db2.gz ZNYZACLSLMFSKW-SOLBZPMBSA-N 2 1 325.497 1.317 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900219602 591947172 /nfs/dbraw/zinc/94/71/72/591947172.db2.gz ZNYZACLSLMFSKW-SOLBZPMBSA-N 2 1 325.497 1.317 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000900228946 591956777 /nfs/dbraw/zinc/95/67/77/591956777.db2.gz VDMRROHUFSGMEA-HNNXBMFYSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000900228946 591956780 /nfs/dbraw/zinc/95/67/80/591956780.db2.gz VDMRROHUFSGMEA-HNNXBMFYSA-N 2 1 339.480 1.252 20 0 EDADMP [NH3+]C[C@H]1CC2(CO1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC000900366064 591997930 /nfs/dbraw/zinc/99/79/30/591997930.db2.gz RROABKLGLLGEFR-OAHLLOKOSA-N 2 1 331.464 1.801 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000900410544 592010822 /nfs/dbraw/zinc/01/08/22/592010822.db2.gz VGGABVOXHKLXHM-CVEARBPZSA-N 2 1 339.480 1.108 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000900410544 592010824 /nfs/dbraw/zinc/01/08/24/592010824.db2.gz VGGABVOXHKLXHM-CVEARBPZSA-N 2 1 339.480 1.108 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000900410544 592010826 /nfs/dbraw/zinc/01/08/26/592010826.db2.gz VGGABVOXHKLXHM-CVEARBPZSA-N 2 1 339.480 1.108 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000900410544 592010828 /nfs/dbraw/zinc/01/08/28/592010828.db2.gz VGGABVOXHKLXHM-CVEARBPZSA-N 2 1 339.480 1.108 20 0 EDADMP COC[C@@H]1C[NH2+]CCN1c1cc[nH+]c(N[C@H]2CCCO[C@@H]2C(C)C)n1 ZINC000900450383 592021440 /nfs/dbraw/zinc/02/14/40/592021440.db2.gz NEKYSSHPPNDKQM-YQQAZPJKSA-N 2 1 349.479 1.517 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C1)C2=O ZINC000902615460 592027075 /nfs/dbraw/zinc/02/70/75/592027075.db2.gz CWGWTATZEUTNHT-FSZRXZPDSA-N 2 1 346.475 1.328 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902789325 592064503 /nfs/dbraw/zinc/06/45/03/592064503.db2.gz DXRMAVHGWJYYQC-LBPRGKRZSA-N 2 1 344.381 1.915 20 0 EDADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1COc2ccccc2C1 ZINC000902794706 592064825 /nfs/dbraw/zinc/06/48/25/592064825.db2.gz YHVLJCLWQIEUMF-SZMVWBNQSA-N 2 1 345.487 1.803 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900604833 592066913 /nfs/dbraw/zinc/06/69/13/592066913.db2.gz UUOPOIZWXWHMDR-YJBOKZPZSA-N 2 1 334.464 1.456 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900604833 592066915 /nfs/dbraw/zinc/06/69/15/592066915.db2.gz UUOPOIZWXWHMDR-YJBOKZPZSA-N 2 1 334.464 1.456 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000900585895 592070281 /nfs/dbraw/zinc/07/02/81/592070281.db2.gz CANQJGWAXDSOKK-UHFFFAOYSA-N 2 1 326.529 1.593 20 0 EDADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)c1 ZINC000900653456 592081205 /nfs/dbraw/zinc/08/12/05/592081205.db2.gz SIHQEQRFBQIUAZ-MJGOQNOKSA-N 2 1 333.476 1.598 20 0 EDADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC000900653456 592081208 /nfs/dbraw/zinc/08/12/08/592081208.db2.gz SIHQEQRFBQIUAZ-MJGOQNOKSA-N 2 1 333.476 1.598 20 0 EDADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)c1 ZINC000900653456 592081209 /nfs/dbraw/zinc/08/12/09/592081209.db2.gz SIHQEQRFBQIUAZ-MJGOQNOKSA-N 2 1 333.476 1.598 20 0 EDADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900654809 592081719 /nfs/dbraw/zinc/08/17/19/592081719.db2.gz AFINCHWECXSVGB-VKJFTORMSA-N 2 1 325.497 1.458 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900654809 592081720 /nfs/dbraw/zinc/08/17/20/592081720.db2.gz AFINCHWECXSVGB-VKJFTORMSA-N 2 1 325.497 1.458 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900654809 592081722 /nfs/dbraw/zinc/08/17/22/592081722.db2.gz AFINCHWECXSVGB-VKJFTORMSA-N 2 1 325.497 1.458 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900654809 592081724 /nfs/dbraw/zinc/08/17/24/592081724.db2.gz AFINCHWECXSVGB-VKJFTORMSA-N 2 1 325.497 1.458 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900661697 592084764 /nfs/dbraw/zinc/08/47/64/592084764.db2.gz ZEYVBYRYSPTOKI-ABHNRTSZSA-N 2 1 337.508 1.868 20 0 EDADMP CN(C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000900709485 592101327 /nfs/dbraw/zinc/10/13/27/592101327.db2.gz ZDWRYGDFMVTEGJ-AZUAARDMSA-N 2 1 345.487 1.565 20 0 EDADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCO[C@@]23CCOC3)c1 ZINC000903058698 592111159 /nfs/dbraw/zinc/11/11/59/592111159.db2.gz JTTKHOYLPQOUQA-RTBURBONSA-N 2 1 332.444 1.556 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)CC1 ZINC000900745084 592115854 /nfs/dbraw/zinc/11/58/54/592115854.db2.gz IWDKEKVMZZWZAG-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H]1C[N@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)C[C@H]1CC[NH3+] ZINC000903500177 592180120 /nfs/dbraw/zinc/18/01/20/592180120.db2.gz URTBVZVRIGZLHI-GHMZBOCLSA-N 2 1 346.460 1.059 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)C[C@H]1CC[NH3+] ZINC000903500177 592180121 /nfs/dbraw/zinc/18/01/21/592180121.db2.gz URTBVZVRIGZLHI-GHMZBOCLSA-N 2 1 346.460 1.059 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000901024252 592202620 /nfs/dbraw/zinc/20/26/20/592202620.db2.gz XMDQKUIQDQGUEJ-MSOLQXFVSA-N 2 1 338.540 1.638 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000901024252 592202621 /nfs/dbraw/zinc/20/26/21/592202621.db2.gz XMDQKUIQDQGUEJ-MSOLQXFVSA-N 2 1 338.540 1.638 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000901024252 592202623 /nfs/dbraw/zinc/20/26/23/592202623.db2.gz XMDQKUIQDQGUEJ-MSOLQXFVSA-N 2 1 338.540 1.638 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000901026526 592203539 /nfs/dbraw/zinc/20/35/39/592203539.db2.gz MJZAVUZXZLMNML-YHOLWWCESA-N 2 1 335.492 1.476 20 0 EDADMP C[NH2+]CCN(CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C(C)C ZINC000903573354 592225957 /nfs/dbraw/zinc/22/59/57/592225957.db2.gz YHBZELRBDCMRNG-UHFFFAOYSA-N 2 1 346.519 1.569 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000906661697 592243834 /nfs/dbraw/zinc/24/38/34/592243834.db2.gz SVSSCJVSUXGFRF-IRXDYDNUSA-N 2 1 336.524 1.393 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000906661697 592243839 /nfs/dbraw/zinc/24/38/39/592243839.db2.gz SVSSCJVSUXGFRF-IRXDYDNUSA-N 2 1 336.524 1.393 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000906661697 592243843 /nfs/dbraw/zinc/24/38/43/592243843.db2.gz SVSSCJVSUXGFRF-IRXDYDNUSA-N 2 1 336.524 1.393 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000906661697 592243848 /nfs/dbraw/zinc/24/38/48/592243848.db2.gz SVSSCJVSUXGFRF-IRXDYDNUSA-N 2 1 336.524 1.393 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000906661697 592243850 /nfs/dbraw/zinc/24/38/50/592243850.db2.gz SVSSCJVSUXGFRF-IRXDYDNUSA-N 2 1 336.524 1.393 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906663401 592245764 /nfs/dbraw/zinc/24/57/64/592245764.db2.gz DRKFUGXPEBDGKG-CABCVRRESA-N 2 1 330.432 1.169 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000906677121 592258330 /nfs/dbraw/zinc/25/83/30/592258330.db2.gz JTQJCOIANSFNKB-ZWKOTPCHSA-N 2 1 338.540 1.498 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000906677121 592258333 /nfs/dbraw/zinc/25/83/33/592258333.db2.gz JTQJCOIANSFNKB-ZWKOTPCHSA-N 2 1 338.540 1.498 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000906677121 592258335 /nfs/dbraw/zinc/25/83/35/592258335.db2.gz JTQJCOIANSFNKB-ZWKOTPCHSA-N 2 1 338.540 1.498 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906680277 592262069 /nfs/dbraw/zinc/26/20/69/592262069.db2.gz MPFHOULWZMXAQL-JKSUJKDBSA-N 2 1 344.459 1.514 20 0 EDADMP COc1ccccc1C[N@@H+](CCO)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722137 592283124 /nfs/dbraw/zinc/28/31/24/592283124.db2.gz HNDCIIPYXRTXJA-QGZVFWFLSA-N 2 1 334.460 1.648 20 0 EDADMP C[N@@H+](C[C@H](O)COCc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903727148 592286100 /nfs/dbraw/zinc/28/61/00/592286100.db2.gz RDAXZMQQQNJKFP-OTWHNJEPSA-N 2 1 334.460 1.265 20 0 EDADMP Fc1cccnc1N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903751323 592295657 /nfs/dbraw/zinc/29/56/57/592295657.db2.gz CTZRKMZQJRDXMY-OAHLLOKOSA-N 2 1 334.439 1.501 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)cn2cc[nH+]c12 ZINC000906738018 592303889 /nfs/dbraw/zinc/30/38/89/592303889.db2.gz HBYORLLKNLSQJD-CYBMUJFWSA-N 2 1 329.404 1.230 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc(C[C@@H]([NH3+])C(C)(C)C)n3)cn2)CC1 ZINC000904658881 592307360 /nfs/dbraw/zinc/30/73/60/592307360.db2.gz KOBSWMNREKATBF-CQSZACIVSA-N 2 1 344.463 1.799 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc([C@@]4(C)CCC[NH2+]4)n3)cn2)CC1 ZINC000904671364 592309787 /nfs/dbraw/zinc/30/97/87/592309787.db2.gz GTNDLWCGXZXQIS-GOSISDBHSA-N 2 1 342.447 1.872 20 0 EDADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000908095489 592312901 /nfs/dbraw/zinc/31/29/01/592312901.db2.gz WTHGKBCOINLIND-MJGOQNOKSA-N 2 1 349.475 1.261 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1cc[nH+]cc1 ZINC000903783146 592321214 /nfs/dbraw/zinc/32/12/14/592321214.db2.gz VCTUILZERVVMTI-AEFFLSMTSA-N 2 1 330.476 1.751 20 0 EDADMP COc1ccc(C[N@@H+](CCCO)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903831357 592336925 /nfs/dbraw/zinc/33/69/25/592336925.db2.gz IRTAQTCNWYXJCC-RBUKOAKNSA-N 2 1 334.460 1.648 20 0 EDADMP COC(=O)c1cccc(OCC[N@@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903818336 592341377 /nfs/dbraw/zinc/34/13/77/592341377.db2.gz HGCORZQENKPIJB-UHFFFAOYSA-N 2 1 348.443 1.697 20 0 EDADMP COC(=O)c1cccc(OCC[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903818336 592341379 /nfs/dbraw/zinc/34/13/79/592341379.db2.gz HGCORZQENKPIJB-UHFFFAOYSA-N 2 1 348.443 1.697 20 0 EDADMP CCOC(=O)CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC1CC1 ZINC000903889163 592351137 /nfs/dbraw/zinc/35/11/37/592351137.db2.gz PJEOHFLHBXDPII-OAHLLOKOSA-N 2 1 335.452 1.368 20 0 EDADMP CCN(CC)C(=O)CN1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903880007 592360860 /nfs/dbraw/zinc/36/08/60/592360860.db2.gz MHPNGWKTQFMESH-AYHJJNSGSA-N 2 1 336.524 1.393 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000903909316 592374033 /nfs/dbraw/zinc/37/40/33/592374033.db2.gz TWDZVBGERHURHN-MRXNPFEDSA-N 3 1 332.496 1.510 20 0 EDADMP C[NH+]1CCC2(CCCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000903909316 592374034 /nfs/dbraw/zinc/37/40/34/592374034.db2.gz TWDZVBGERHURHN-MRXNPFEDSA-N 2 1 332.496 1.510 20 0 EDADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C(=O)c1cscn1 ZINC000903925509 592379357 /nfs/dbraw/zinc/37/93/57/592379357.db2.gz GGQPCFMFQAIRPE-AVOUXACISA-N 2 1 334.489 1.820 20 0 EDADMP C[NH+](C)[C@@H](CNCc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903926335 592381398 /nfs/dbraw/zinc/38/13/98/592381398.db2.gz KVILZDBRNPTAHB-WMZOPIPTSA-N 2 1 328.464 1.595 20 0 EDADMP O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903929390 592382098 /nfs/dbraw/zinc/38/20/98/592382098.db2.gz DGALSXJXRMBGKS-KBAYOESNSA-N 2 1 327.432 1.511 20 0 EDADMP O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903929390 592382104 /nfs/dbraw/zinc/38/21/04/592382104.db2.gz DGALSXJXRMBGKS-KBAYOESNSA-N 2 1 327.432 1.511 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917497 592390559 /nfs/dbraw/zinc/39/05/59/592390559.db2.gz MNOXBSBZMQEGCB-FGTMMUONSA-N 3 1 333.524 1.558 20 0 EDADMP Cn1c2ccc(C[NH2+]C[C@H]3C[NH2+]CCC3(F)F)cc2sc1=O ZINC000903956350 592395205 /nfs/dbraw/zinc/39/52/05/592395205.db2.gz JWKBBAAAUHXBSJ-LLVKDONJSA-N 2 1 327.400 1.934 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)c2cccn2CCN2CCOCC2)C[N@H+]1C1CC1 ZINC000906941558 592421088 /nfs/dbraw/zinc/42/10/88/592421088.db2.gz NSZMJHFKAIUPGG-JKSUJKDBSA-N 2 1 346.475 1.175 20 0 EDADMP C[NH2+]CCCCc1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000904101653 592425492 /nfs/dbraw/zinc/42/54/92/592425492.db2.gz RIANFWXHWPHRLV-UHFFFAOYSA-N 2 1 330.436 1.426 20 0 EDADMP C[NH+](C)[C@@H](CNS(=O)(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000905332024 592508340 /nfs/dbraw/zinc/50/83/40/592508340.db2.gz SCAJCMXUFPPFPW-INIZCTEOSA-N 2 1 325.478 1.208 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC1(O)CCCCC1 ZINC000905385214 592514206 /nfs/dbraw/zinc/51/42/06/592514206.db2.gz YGBNUELQZNDGJP-SJORKVTESA-N 2 1 326.481 1.276 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)COC(C)C)C2)[C@@H]1C(C)C ZINC000905502904 592546322 /nfs/dbraw/zinc/54/63/22/592546322.db2.gz LWWOQGYUOZKPMJ-HSFUPAIVSA-N 2 1 328.497 1.232 20 0 EDADMP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000908597975 592548899 /nfs/dbraw/zinc/54/88/99/592548899.db2.gz LZYBZHOZFOJNQM-KRWDZBQOSA-N 2 1 347.503 1.858 20 0 EDADMP CCO[C@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000905580287 592579797 /nfs/dbraw/zinc/57/97/97/592579797.db2.gz NDWDLSCWKWHAJA-RTBURBONSA-N 2 1 335.492 1.180 20 0 EDADMP [NH3+]C1CC[NH+](CCNc2nccc(N3Cc4ccccc4C3)n2)CC1 ZINC000905706823 592618022 /nfs/dbraw/zinc/61/80/22/592618022.db2.gz PXDAFNNPGRPXAL-UHFFFAOYSA-N 2 1 338.459 1.832 20 0 EDADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000909918740 592713814 /nfs/dbraw/zinc/71/38/14/592713814.db2.gz RDUVHRBZNDBSIQ-KRWDZBQOSA-N 2 1 339.505 1.485 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000906391300 592808407 /nfs/dbraw/zinc/80/84/07/592808407.db2.gz BGKRTDAQGRWAGZ-UHFFFAOYSA-N 2 1 344.503 1.757 20 0 EDADMP CCn1ccnc1[C@H]1CCCCN1C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000907937615 592849690 /nfs/dbraw/zinc/84/96/90/592849690.db2.gz FTTSVMKTRVIGEC-QAPCUYQASA-N 2 1 334.464 1.803 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])c1ccsc1 ZINC000906645234 592865767 /nfs/dbraw/zinc/86/57/67/592865767.db2.gz JJEDETYANHWKIP-HNNXBMFYSA-N 2 1 346.456 1.564 20 0 EDADMP CC(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906644913 592865873 /nfs/dbraw/zinc/86/58/73/592865873.db2.gz GGJNLSAWQKGRAQ-UHFFFAOYSA-N 2 1 332.448 1.372 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000910870193 592898633 /nfs/dbraw/zinc/89/86/33/592898633.db2.gz UACWDSDGQFFTIB-UHFFFAOYSA-N 2 1 339.524 1.660 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCOC)CC2(C)C)C1 ZINC000911912266 593036015 /nfs/dbraw/zinc/03/60/15/593036015.db2.gz JEQRCRWBKLBLCB-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](CCOC)CC2(C)C)C1 ZINC000911912266 593036016 /nfs/dbraw/zinc/03/60/16/593036016.db2.gz JEQRCRWBKLBLCB-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000911913335 593036232 /nfs/dbraw/zinc/03/62/32/593036232.db2.gz CLLIBIXZGBSAGY-PMACEKPBSA-N 2 1 345.487 1.614 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2[nH]c(CO)nc2c1 ZINC000912302623 593084303 /nfs/dbraw/zinc/08/43/03/593084303.db2.gz FFTFWABCDQCLOC-ZDUSSCGKSA-N 2 1 347.463 1.057 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2[nH]c(CO)nc2c1 ZINC000912302623 593084304 /nfs/dbraw/zinc/08/43/04/593084304.db2.gz FFTFWABCDQCLOC-ZDUSSCGKSA-N 2 1 347.463 1.057 20 0 EDADMP Cn1cnc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000808387144 593256418 /nfs/dbraw/zinc/25/64/18/593256418.db2.gz KQCXOGYXUNJLFT-KRWDZBQOSA-N 2 1 341.459 1.407 20 0 EDADMP Cn1cnc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000808387144 593256419 /nfs/dbraw/zinc/25/64/19/593256419.db2.gz KQCXOGYXUNJLFT-KRWDZBQOSA-N 2 1 341.459 1.407 20 0 EDADMP O=C1N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)[C@H](C2CC2)[C@@]12CCCO2 ZINC000840001051 593328714 /nfs/dbraw/zinc/32/87/14/593328714.db2.gz WLTMSTWRHIHMQZ-QUCCMNQESA-N 2 1 347.503 1.922 20 0 EDADMP CC[C@]1(C2CC2)NC(=O)N(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1=O ZINC000758236732 593397519 /nfs/dbraw/zinc/39/75/19/593397519.db2.gz FVFVFPSIUBNWBA-JCKWVBRZSA-N 2 1 334.464 1.471 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810542213 593410845 /nfs/dbraw/zinc/41/08/45/593410845.db2.gz KTGUELAVUDPNRO-GOSISDBHSA-N 2 1 343.487 1.550 20 0 EDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000818967855 593730858 /nfs/dbraw/zinc/73/08/58/593730858.db2.gz DDEDGUNXIZOYOP-INIZCTEOSA-N 2 1 337.445 1.308 20 0 EDADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818986141 593732581 /nfs/dbraw/zinc/73/25/81/593732581.db2.gz GVYKSHGVPFMXFE-HUUCEWRRSA-N 2 1 335.423 1.916 20 0 EDADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818986141 593732582 /nfs/dbraw/zinc/73/25/82/593732582.db2.gz GVYKSHGVPFMXFE-HUUCEWRRSA-N 2 1 335.423 1.916 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)C3CC3)c2)C1 ZINC000819040603 593735008 /nfs/dbraw/zinc/73/50/08/593735008.db2.gz ODUOCFUOFCULOE-QZTJIDSGSA-N 2 1 331.460 1.244 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cnn(C)c1C1CC1 ZINC000822655092 594080228 /nfs/dbraw/zinc/08/02/28/594080228.db2.gz WNZFKJMOCRUGRW-ZDUSSCGKSA-N 2 1 336.484 1.691 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cnn(C)c1C1CC1 ZINC000822655092 594080229 /nfs/dbraw/zinc/08/02/29/594080229.db2.gz WNZFKJMOCRUGRW-ZDUSSCGKSA-N 2 1 336.484 1.691 20 0 EDADMP Cn1ncc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1Cl ZINC000822721009 594091609 /nfs/dbraw/zinc/09/16/09/594091609.db2.gz OWGOLAWPIBCASZ-UHFFFAOYSA-N 2 1 334.811 1.473 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccnn1CC1CC1 ZINC000822732019 594092791 /nfs/dbraw/zinc/09/27/91/594092791.db2.gz JEQLAQNEODIIIG-AWEZNQCLSA-N 2 1 336.484 1.687 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccnn1CC1CC1 ZINC000822732019 594092794 /nfs/dbraw/zinc/09/27/94/594092794.db2.gz JEQLAQNEODIIIG-AWEZNQCLSA-N 2 1 336.484 1.687 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822803474 594103144 /nfs/dbraw/zinc/10/31/44/594103144.db2.gz MAWGTWXUKMWSFG-CYBMUJFWSA-N 2 1 337.291 1.729 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000825451121 594186791 /nfs/dbraw/zinc/18/67/91/594186791.db2.gz FWZIGKNQZVLOLD-CJNGLKHVSA-N 2 1 330.436 1.565 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000829757433 594256122 /nfs/dbraw/zinc/25/61/22/594256122.db2.gz FCIAXXUBSRZNPK-YESZJQIVSA-N 2 1 325.497 1.772 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000826667970 594550416 /nfs/dbraw/zinc/55/04/16/594550416.db2.gz RFJLJLFNTVATCM-ROUUACIJSA-N 2 1 334.508 1.290 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000826667970 594550418 /nfs/dbraw/zinc/55/04/18/594550418.db2.gz RFJLJLFNTVATCM-ROUUACIJSA-N 2 1 334.508 1.290 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000826667970 594550420 /nfs/dbraw/zinc/55/04/20/594550420.db2.gz RFJLJLFNTVATCM-ROUUACIJSA-N 2 1 334.508 1.290 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)CC[NH+]1CC3(C1)CCOCC3)C2 ZINC000829235399 594586084 /nfs/dbraw/zinc/58/60/84/594586084.db2.gz JMLKWVOTEUCGNK-INIZCTEOSA-N 2 1 346.475 1.325 20 0 EDADMP CN1CC[NH+](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)CC1 ZINC000827450650 594673535 /nfs/dbraw/zinc/67/35/35/594673535.db2.gz WEUKLCFDAKKFEW-IBGZPJMESA-N 2 1 348.535 1.632 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)CC[N@H+]1C ZINC000827491058 594677071 /nfs/dbraw/zinc/67/70/71/594677071.db2.gz KUMXUCSLPSVGFY-OKZBNKHCSA-N 2 1 347.507 1.254 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC[NH+]1C ZINC000827491058 594677072 /nfs/dbraw/zinc/67/70/72/594677072.db2.gz KUMXUCSLPSVGFY-OKZBNKHCSA-N 2 1 347.507 1.254 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC[NH+]1C ZINC000827491058 594677073 /nfs/dbraw/zinc/67/70/73/594677073.db2.gz KUMXUCSLPSVGFY-OKZBNKHCSA-N 2 1 347.507 1.254 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCC[NH2+]C2CC2)cn1 ZINC000841721059 594943217 /nfs/dbraw/zinc/94/32/17/594943217.db2.gz CMLOXAHSFZREHS-UHFFFAOYSA-N 2 1 328.420 1.517 20 0 EDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH2+]C1CC1 ZINC000841927099 594983385 /nfs/dbraw/zinc/98/33/85/594983385.db2.gz FQEFJAHOISBCQA-IBGZPJMESA-N 2 1 346.475 1.017 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1C ZINC000844021637 595246379 /nfs/dbraw/zinc/24/63/79/595246379.db2.gz JSMKHCHMWWGNEQ-IYBDPMFKSA-N 2 1 334.464 1.476 20 0 EDADMP CCC[N@@H+](C)CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000844163597 595287913 /nfs/dbraw/zinc/28/79/13/595287913.db2.gz OITSDUROCSEISN-INIZCTEOSA-N 2 1 333.432 1.876 20 0 EDADMP CC(C)[C@@H](C(=O)NCc1ccc(CC[NH3+])cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000844165284 595288565 /nfs/dbraw/zinc/28/85/65/595288565.db2.gz YYKIBEHGPPJJIS-MDZRGWNJSA-N 2 1 347.503 1.938 20 0 EDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808611 595319433 /nfs/dbraw/zinc/31/94/33/595319433.db2.gz ZGTGZGYMRFPVOT-MAUKXSAKSA-N 2 1 341.496 1.632 20 0 EDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808611 595319435 /nfs/dbraw/zinc/31/94/35/595319435.db2.gz ZGTGZGYMRFPVOT-MAUKXSAKSA-N 2 1 341.496 1.632 20 0 EDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808611 595319437 /nfs/dbraw/zinc/31/94/37/595319437.db2.gz ZGTGZGYMRFPVOT-MAUKXSAKSA-N 2 1 341.496 1.632 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3cc(-c4ccncn4)cn3)C2)CC1 ZINC000848482293 595391572 /nfs/dbraw/zinc/39/15/72/595391572.db2.gz LBZPSTSJOMQPJI-MRXNPFEDSA-N 2 1 326.448 1.961 20 0 EDADMP CCC(=O)Nc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000849059798 595476674 /nfs/dbraw/zinc/47/66/74/595476674.db2.gz OINJSQJTJAIIRY-UHFFFAOYSA-N 2 1 347.463 1.371 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=S)NCCC[NH+]1CCOCC1 ZINC000849302222 595503699 /nfs/dbraw/zinc/50/36/99/595503699.db2.gz VSBXWDSEZGIHLS-INIZCTEOSA-N 2 1 342.553 1.293 20 0 EDADMP COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000852761127 595531418 /nfs/dbraw/zinc/53/14/18/595531418.db2.gz QWTHLXYBNXHDLG-GJZGRUSLSA-N 2 1 326.437 1.265 20 0 EDADMP COC(=O)C1=C(C)O[C@H](C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000852761127 595531420 /nfs/dbraw/zinc/53/14/20/595531420.db2.gz QWTHLXYBNXHDLG-GJZGRUSLSA-N 2 1 326.437 1.265 20 0 EDADMP OCCCCCC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852765197 595532945 /nfs/dbraw/zinc/53/29/45/595532945.db2.gz OASMKMBYSNEKQB-MRXNPFEDSA-N 2 1 335.496 1.551 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849567708 595572418 /nfs/dbraw/zinc/57/24/18/595572418.db2.gz IRIWDPSEODLRRV-IRXDYDNUSA-N 2 1 333.480 1.056 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849567924 595572674 /nfs/dbraw/zinc/57/26/74/595572674.db2.gz KVEMXNDHPPPFCJ-FSDCSDTHSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849567924 595572677 /nfs/dbraw/zinc/57/26/77/595572677.db2.gz KVEMXNDHPPPFCJ-FSDCSDTHSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849567924 595572681 /nfs/dbraw/zinc/57/26/81/595572681.db2.gz KVEMXNDHPPPFCJ-FSDCSDTHSA-N 2 1 333.480 1.006 20 0 EDADMP CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[C@H]1C ZINC000849569895 595573562 /nfs/dbraw/zinc/57/35/62/595573562.db2.gz XAZHYWKZCMLJSQ-OIISXLGYSA-N 2 1 333.480 1.008 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C[C@H]1C ZINC000849569895 595573568 /nfs/dbraw/zinc/57/35/68/595573568.db2.gz XAZHYWKZCMLJSQ-OIISXLGYSA-N 2 1 333.480 1.008 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C[C@H]1C ZINC000849569895 595573572 /nfs/dbraw/zinc/57/35/72/595573572.db2.gz XAZHYWKZCMLJSQ-OIISXLGYSA-N 2 1 333.480 1.008 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C[C@@H]1C ZINC000849571797 595574746 /nfs/dbraw/zinc/57/47/46/595574746.db2.gz LDINDPLWLBLCDX-CWLKWCNXSA-N 2 1 347.507 1.397 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C[C@@H]1C ZINC000849571797 595574748 /nfs/dbraw/zinc/57/47/48/595574748.db2.gz LDINDPLWLBLCDX-CWLKWCNXSA-N 2 1 347.507 1.397 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C[C@@H]1C ZINC000849571797 595574750 /nfs/dbraw/zinc/57/47/50/595574750.db2.gz LDINDPLWLBLCDX-CWLKWCNXSA-N 2 1 347.507 1.397 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849583029 595581730 /nfs/dbraw/zinc/58/17/30/595581730.db2.gz QYCQEFXQZVSQRB-DLBZAZTESA-N 2 1 347.507 1.398 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597232 595586721 /nfs/dbraw/zinc/58/67/21/595586721.db2.gz RJXTUILHFOPUCB-BRWVUGGUSA-N 2 1 333.480 1.008 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597232 595586722 /nfs/dbraw/zinc/58/67/22/595586722.db2.gz RJXTUILHFOPUCB-BRWVUGGUSA-N 2 1 333.480 1.008 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597232 595586725 /nfs/dbraw/zinc/58/67/25/595586725.db2.gz RJXTUILHFOPUCB-BRWVUGGUSA-N 2 1 333.480 1.008 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000852873206 595592321 /nfs/dbraw/zinc/59/23/21/595592321.db2.gz QNRYFOWRFUKQGJ-SJORKVTESA-N 2 1 332.448 1.131 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)[C@@H]1c1ccc(Cl)cc1 ZINC000852886814 595598653 /nfs/dbraw/zinc/59/86/53/595598653.db2.gz XEPXYROOMNAHHQ-YDHLFZDLSA-N 2 1 336.823 1.305 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)[C@@H]1c1ccc(Cl)cc1 ZINC000852886814 595598655 /nfs/dbraw/zinc/59/86/55/595598655.db2.gz XEPXYROOMNAHHQ-YDHLFZDLSA-N 2 1 336.823 1.305 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853029232 595645386 /nfs/dbraw/zinc/64/53/86/595645386.db2.gz KTUUZIOUEGOPGS-CVEARBPZSA-N 2 1 340.537 1.188 20 0 EDADMP C[NH+](C)C1CCN(c2ccc(Nc3nc(N)[nH+]c(N)n3)cc2F)CC1 ZINC000858390339 595783106 /nfs/dbraw/zinc/78/31/06/595783106.db2.gz ZJLCPXQHZZSDNI-UHFFFAOYSA-N 2 1 346.414 1.449 20 0 EDADMP CCOC(=O)NC1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000850433852 595833488 /nfs/dbraw/zinc/83/34/88/595833488.db2.gz RSVRPYGLXAGYFA-SSHXOBKSSA-N 2 1 325.453 1.497 20 0 EDADMP CCOC(=O)NC1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000850433852 595833492 /nfs/dbraw/zinc/83/34/92/595833492.db2.gz RSVRPYGLXAGYFA-SSHXOBKSSA-N 2 1 325.453 1.497 20 0 EDADMP CN(C)c1ccnc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000853795084 595883119 /nfs/dbraw/zinc/88/31/19/595883119.db2.gz KCOMCRAGZKICEH-MRXNPFEDSA-N 2 1 327.432 1.721 20 0 EDADMP CN(C)c1cc[nH+]c(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000853795084 595883127 /nfs/dbraw/zinc/88/31/27/595883127.db2.gz KCOMCRAGZKICEH-MRXNPFEDSA-N 2 1 327.432 1.721 20 0 EDADMP CCN1CC[C@@H]([N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856583498 596021813 /nfs/dbraw/zinc/02/18/13/596021813.db2.gz IBZWUHAIHFWCBP-ZWKOTPCHSA-N 2 1 346.475 1.607 20 0 EDADMP CCN1CC[C@@H]([N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856583498 596021818 /nfs/dbraw/zinc/02/18/18/596021818.db2.gz IBZWUHAIHFWCBP-ZWKOTPCHSA-N 2 1 346.475 1.607 20 0 EDADMP CCN1CC[C@@H]([NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)C1=O ZINC000856583498 596021823 /nfs/dbraw/zinc/02/18/23/596021823.db2.gz IBZWUHAIHFWCBP-ZWKOTPCHSA-N 2 1 346.475 1.607 20 0 EDADMP CCN1CC[C@@H]([NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)C1=O ZINC000856583498 596021825 /nfs/dbraw/zinc/02/18/25/596021825.db2.gz IBZWUHAIHFWCBP-ZWKOTPCHSA-N 2 1 346.475 1.607 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H]3CCN(C)C3=O)C2)ccn1 ZINC000856590965 596025013 /nfs/dbraw/zinc/02/50/13/596025013.db2.gz FYXDUWYEDXRRHL-DLBZAZTESA-N 2 1 332.448 1.217 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H]3CCN(C)C3=O)C2)ccn1 ZINC000856590965 596025016 /nfs/dbraw/zinc/02/50/16/596025016.db2.gz FYXDUWYEDXRRHL-DLBZAZTESA-N 2 1 332.448 1.217 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)ccn1 ZINC000856590965 596025020 /nfs/dbraw/zinc/02/50/20/596025020.db2.gz FYXDUWYEDXRRHL-DLBZAZTESA-N 2 1 332.448 1.217 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)ccn1 ZINC000856590965 596025024 /nfs/dbraw/zinc/02/50/24/596025024.db2.gz FYXDUWYEDXRRHL-DLBZAZTESA-N 2 1 332.448 1.217 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)N3CCC3)C2)ccn1 ZINC000856590915 596025506 /nfs/dbraw/zinc/02/55/06/596025506.db2.gz DXTXRPVLZHKSIY-QGZVFWFLSA-N 2 1 332.448 1.219 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)N3CCC3)C2)ccn1 ZINC000856590915 596025511 /nfs/dbraw/zinc/02/55/11/596025511.db2.gz DXTXRPVLZHKSIY-QGZVFWFLSA-N 2 1 332.448 1.219 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)ccn1 ZINC000856590915 596025516 /nfs/dbraw/zinc/02/55/16/596025516.db2.gz DXTXRPVLZHKSIY-QGZVFWFLSA-N 2 1 332.448 1.219 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)ccn1 ZINC000856590915 596025517 /nfs/dbraw/zinc/02/55/17/596025517.db2.gz DXTXRPVLZHKSIY-QGZVFWFLSA-N 2 1 332.448 1.219 20 0 EDADMP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856594462 596027463 /nfs/dbraw/zinc/02/74/63/596027463.db2.gz ZVVFDOOAECBCFE-CRAIPNDOSA-N 2 1 348.491 1.901 20 0 EDADMP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856594462 596027467 /nfs/dbraw/zinc/02/74/67/596027467.db2.gz ZVVFDOOAECBCFE-CRAIPNDOSA-N 2 1 348.491 1.901 20 0 EDADMP CC[C@@H](C)NC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856594462 596027469 /nfs/dbraw/zinc/02/74/69/596027469.db2.gz ZVVFDOOAECBCFE-CRAIPNDOSA-N 2 1 348.491 1.901 20 0 EDADMP CC[C@@H](C)NC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856594462 596027473 /nfs/dbraw/zinc/02/74/73/596027473.db2.gz ZVVFDOOAECBCFE-CRAIPNDOSA-N 2 1 348.491 1.901 20 0 EDADMP CC(=O)[C@@](C)(O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604474 596032011 /nfs/dbraw/zinc/03/20/11/596032011.db2.gz NTKCAIHPBIVHHO-MOPGFXCFSA-N 2 1 349.475 1.715 20 0 EDADMP CC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604474 596032013 /nfs/dbraw/zinc/03/20/13/596032013.db2.gz NTKCAIHPBIVHHO-MOPGFXCFSA-N 2 1 349.475 1.715 20 0 EDADMP CC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604474 596032016 /nfs/dbraw/zinc/03/20/16/596032016.db2.gz NTKCAIHPBIVHHO-MOPGFXCFSA-N 2 1 349.475 1.715 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)Cn3ccnc3)C2)ccn1 ZINC000856625290 596038061 /nfs/dbraw/zinc/03/80/61/596038061.db2.gz DXWCEQCGASVPBD-KRWDZBQOSA-N 2 1 343.431 1.410 20 0 EDADMP CCOP(=O)(OCC)[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000852092396 596041082 /nfs/dbraw/zinc/04/10/82/596041082.db2.gz UFIPDNRUHRHAGW-HUUCEWRRSA-N 2 1 334.397 1.989 20 0 EDADMP CCOP(=O)(OCC)[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000852092396 596041084 /nfs/dbraw/zinc/04/10/84/596041084.db2.gz UFIPDNRUHRHAGW-HUUCEWRRSA-N 2 1 334.397 1.989 20 0 EDADMP CCOP(=O)(OCC)[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000852092396 596041088 /nfs/dbraw/zinc/04/10/88/596041088.db2.gz UFIPDNRUHRHAGW-HUUCEWRRSA-N 2 1 334.397 1.989 20 0 EDADMP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)C1 ZINC000856730753 596063763 /nfs/dbraw/zinc/06/37/63/596063763.db2.gz HIIIQMJJKXVOKZ-LJQANCHMSA-N 2 1 345.487 1.948 20 0 EDADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)C1 ZINC000856730753 596063768 /nfs/dbraw/zinc/06/37/68/596063768.db2.gz HIIIQMJJKXVOKZ-LJQANCHMSA-N 2 1 345.487 1.948 20 0 EDADMP O=C1CC[C@H](N2CCC(Cc3nc4ccccc4[nH]3)CC2)C(=O)N1 ZINC000852189295 596078868 /nfs/dbraw/zinc/07/88/68/596078868.db2.gz CSXCGNOEOAGNKE-HNNXBMFYSA-N 2 1 326.400 1.623 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C1 ZINC000857180243 596177772 /nfs/dbraw/zinc/17/77/72/596177772.db2.gz XQKAJWZWIHZHQF-HKUYNNGSSA-N 2 1 331.460 1.292 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857180243 596177775 /nfs/dbraw/zinc/17/77/75/596177775.db2.gz XQKAJWZWIHZHQF-HKUYNNGSSA-N 2 1 331.460 1.292 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857180243 596177778 /nfs/dbraw/zinc/17/77/78/596177778.db2.gz XQKAJWZWIHZHQF-HKUYNNGSSA-N 2 1 331.460 1.292 20 0 EDADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000852707991 596231046 /nfs/dbraw/zinc/23/10/46/596231046.db2.gz NRCJPVZMWKFYFG-MRXNPFEDSA-N 2 1 339.480 1.384 20 0 EDADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000852707991 596231048 /nfs/dbraw/zinc/23/10/48/596231048.db2.gz NRCJPVZMWKFYFG-MRXNPFEDSA-N 2 1 339.480 1.384 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)NC2CC([NH+]3CCOCC3)C2)cc1 ZINC000862107025 596239944 /nfs/dbraw/zinc/23/99/44/596239944.db2.gz FYXBVBHJECFUQF-UHFFFAOYSA-N 2 1 331.460 1.384 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H](O)c3ccc(Cl)cc3)nn2)CC1 ZINC000864629745 596290622 /nfs/dbraw/zinc/29/06/22/596290622.db2.gz YICVGRQCWPGJHP-KRWDZBQOSA-N 2 1 349.866 1.631 20 0 EDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000866705549 596301258 /nfs/dbraw/zinc/30/12/58/596301258.db2.gz CIYITQMOEVEUFZ-QGZVFWFLSA-N 2 1 336.480 1.548 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000866707991 596302967 /nfs/dbraw/zinc/30/29/67/596302967.db2.gz MEQJBKABWWPNKB-WCQGTBRESA-N 2 1 327.837 1.768 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000866707991 596302972 /nfs/dbraw/zinc/30/29/72/596302972.db2.gz MEQJBKABWWPNKB-WCQGTBRESA-N 2 1 327.837 1.768 20 0 EDADMP Cc1nc(CN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)[nH]c1C ZINC000862358466 596308559 /nfs/dbraw/zinc/30/85/59/596308559.db2.gz IVIAGYHDDAJZIC-AWEZNQCLSA-N 2 1 337.468 1.667 20 0 EDADMP O=C(CC[NH2+]CC1CC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000870868199 596383589 /nfs/dbraw/zinc/38/35/89/596383589.db2.gz AABQDOHPAXETKX-UHFFFAOYSA-N 2 1 331.460 1.525 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870879442 596387588 /nfs/dbraw/zinc/38/75/88/596387588.db2.gz GMYXPHLZRHSZHT-ZDUSSCGKSA-N 2 1 344.253 1.143 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870942367 596413982 /nfs/dbraw/zinc/41/39/82/596413982.db2.gz MAJKDRZRHFDIHX-NLGTXKQRSA-N 2 1 329.444 1.700 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000870976047 596423326 /nfs/dbraw/zinc/42/33/26/596423326.db2.gz NPAPSQAPLVDDKO-PDCGBLAGSA-N 2 1 337.508 1.767 20 0 EDADMP C[C@]1(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CC[NH2+]C1 ZINC000863654279 596645435 /nfs/dbraw/zinc/64/54/35/596645435.db2.gz VSGFMXZOZGDSBD-ADVQIIOHSA-N 2 1 345.409 1.717 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)cn2)CC1 ZINC000865762640 596673073 /nfs/dbraw/zinc/67/30/73/596673073.db2.gz SETCNXRPYGBMNW-ZWKOTPCHSA-N 2 1 345.491 1.523 20 0 EDADMP [NH3+][C@H]1C[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000868111141 596689803 /nfs/dbraw/zinc/68/98/03/596689803.db2.gz ZEUBYBCDZWMTRK-IYBDPMFKSA-N 2 1 332.448 1.420 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC000868310141 596783174 /nfs/dbraw/zinc/78/31/74/596783174.db2.gz QNDZRUOCCFLCBM-QGZVFWFLSA-N 2 1 334.464 1.441 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC000868310141 596783176 /nfs/dbraw/zinc/78/31/76/596783176.db2.gz QNDZRUOCCFLCBM-QGZVFWFLSA-N 2 1 334.464 1.441 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000868310141 596783178 /nfs/dbraw/zinc/78/31/78/596783178.db2.gz QNDZRUOCCFLCBM-QGZVFWFLSA-N 2 1 334.464 1.441 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000868310141 596783179 /nfs/dbraw/zinc/78/31/79/596783179.db2.gz QNDZRUOCCFLCBM-QGZVFWFLSA-N 2 1 334.464 1.441 20 0 EDADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000872153677 596814730 /nfs/dbraw/zinc/81/47/30/596814730.db2.gz GOLMKZYEYDVFSM-HZPDHXFCSA-N 2 1 331.416 1.465 20 0 EDADMP COc1cc2[nH+]c(N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)nc(N)c2cc1OC ZINC000866207460 596827760 /nfs/dbraw/zinc/82/77/60/596827760.db2.gz WVMHEYBVCCFNRL-FZMZJTMJSA-N 2 1 343.431 1.760 20 0 EDADMP COc1cc2[nH+]c(N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)nc(N)c2cc1OC ZINC000866207460 596827761 /nfs/dbraw/zinc/82/77/61/596827761.db2.gz WVMHEYBVCCFNRL-FZMZJTMJSA-N 2 1 343.431 1.760 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)cn1 ZINC000872200239 596832152 /nfs/dbraw/zinc/83/21/52/596832152.db2.gz XQUPPUJGHNCWIH-FUHWJXTLSA-N 2 1 330.432 1.577 20 0 EDADMP COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC000872227622 596844744 /nfs/dbraw/zinc/84/47/44/596844744.db2.gz ORZXFANZUDAEKX-BWPNAZKDSA-N 2 1 344.455 1.555 20 0 EDADMP COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000872227622 596844748 /nfs/dbraw/zinc/84/47/48/596844748.db2.gz ORZXFANZUDAEKX-BWPNAZKDSA-N 2 1 344.455 1.555 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000872254616 596855316 /nfs/dbraw/zinc/85/53/16/596855316.db2.gz ARRDORQDPPESTE-QMZYYCDMSA-N 2 1 331.391 1.706 20 0 EDADMP C[Si](C)(CC[NH+]1C[C@@H]2COC[C@@H]2C1)CC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872319482 596879914 /nfs/dbraw/zinc/87/99/14/596879914.db2.gz HQXKFNXABQLPKJ-USTZCAOPSA-N 2 1 338.568 1.851 20 0 EDADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000875743372 596970002 /nfs/dbraw/zinc/97/00/02/596970002.db2.gz QUAOXHBVKYLPKQ-CVEARBPZSA-N 2 1 340.512 1.251 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC(C)=NO1 ZINC000875970879 597051853 /nfs/dbraw/zinc/05/18/53/597051853.db2.gz IDRABBBZMUTWLF-HOTGVXAUSA-N 2 1 339.484 1.209 20 0 EDADMP O=C(CN1CCCC1)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000874457841 597088383 /nfs/dbraw/zinc/08/83/83/597088383.db2.gz RPCNXTIYNLAPFS-SFHVURJKSA-N 2 1 331.460 1.142 20 0 EDADMP CN1Cc2ccccc2[C@H]1CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000876202306 597132208 /nfs/dbraw/zinc/13/22/08/597132208.db2.gz CPHNRDUSXCCANU-DOTOQJQBSA-N 2 1 346.475 1.318 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000876202306 597132211 /nfs/dbraw/zinc/13/22/11/597132211.db2.gz CPHNRDUSXCCANU-DOTOQJQBSA-N 2 1 346.475 1.318 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000876202306 597132214 /nfs/dbraw/zinc/13/22/14/597132214.db2.gz CPHNRDUSXCCANU-DOTOQJQBSA-N 2 1 346.475 1.318 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000876202306 597132218 /nfs/dbraw/zinc/13/22/18/597132218.db2.gz CPHNRDUSXCCANU-DOTOQJQBSA-N 2 1 346.475 1.318 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000876203270 597132843 /nfs/dbraw/zinc/13/28/43/597132843.db2.gz BEKAOHWKOMKCBD-WMZOPIPTSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000876203270 597132844 /nfs/dbraw/zinc/13/28/44/597132844.db2.gz BEKAOHWKOMKCBD-WMZOPIPTSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000876203270 597132847 /nfs/dbraw/zinc/13/28/47/597132847.db2.gz BEKAOHWKOMKCBD-WMZOPIPTSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000876203270 597132850 /nfs/dbraw/zinc/13/28/50/597132850.db2.gz BEKAOHWKOMKCBD-WMZOPIPTSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)C1 ZINC000876521095 597229397 /nfs/dbraw/zinc/22/93/97/597229397.db2.gz HCLWEKCISBXEPV-LSDHHAIUSA-N 2 1 345.443 1.876 20 0 EDADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000873283401 597248123 /nfs/dbraw/zinc/24/81/23/597248123.db2.gz SJAWXXSOJFARFL-FRKNIRMPSA-N 2 1 336.501 1.890 20 0 EDADMP CC[C@@H]1COCCN1CCNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000875142836 597300619 /nfs/dbraw/zinc/30/06/19/597300619.db2.gz FQXUIWLHMMEGAY-YESZJQIVSA-N 2 1 340.512 1.517 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)[NH+]1CCOCC1 ZINC000876716948 597302376 /nfs/dbraw/zinc/30/23/76/597302376.db2.gz RJHRSYRVCFGASZ-SCTDSRPQSA-N 2 1 337.508 1.772 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000876723020 597305899 /nfs/dbraw/zinc/30/58/99/597305899.db2.gz KSLMXIURWOHWOP-HOCLYGCPSA-N 2 1 333.480 1.578 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000876723655 597306819 /nfs/dbraw/zinc/30/68/19/597306819.db2.gz WJCMWNXALORVFC-JKSUJKDBSA-N 2 1 333.480 1.720 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000876727494 597307993 /nfs/dbraw/zinc/30/79/93/597307993.db2.gz MDVRAWJFMUXNDU-OWCLPIDISA-N 2 1 331.464 1.473 20 0 EDADMP CCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876729485 597310044 /nfs/dbraw/zinc/31/00/44/597310044.db2.gz OLYRUNQBJWVMNO-OALUTQOASA-N 2 1 346.519 1.779 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3(C)C)cc2)CC1 ZINC000876736134 597312659 /nfs/dbraw/zinc/31/26/59/597312659.db2.gz RPWHINLKSFSZDR-HZPDHXFCSA-N 2 1 344.459 1.386 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876762296 597327818 /nfs/dbraw/zinc/32/78/18/597327818.db2.gz FLQYYYJMUPOAQA-CRAIPNDOSA-N 2 1 341.496 1.008 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000876775861 597335464 /nfs/dbraw/zinc/33/54/64/597335464.db2.gz BKQHDOIVKZHNKL-IAGOWNOFSA-N 2 1 347.507 1.920 20 0 EDADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876837500 597354265 /nfs/dbraw/zinc/35/42/65/597354265.db2.gz IOVTWQIQGDILKK-CEXWTWQISA-N 2 1 339.483 1.967 20 0 EDADMP Cc1nn(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1Cl ZINC000888631149 597377418 /nfs/dbraw/zinc/37/74/18/597377418.db2.gz WDAJBFBBWFZWNR-NSHDSACASA-N 2 1 344.891 1.775 20 0 EDADMP Cc1nn(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1Cl ZINC000888631149 597377420 /nfs/dbraw/zinc/37/74/20/597377420.db2.gz WDAJBFBBWFZWNR-NSHDSACASA-N 2 1 344.891 1.775 20 0 EDADMP CCOC(=O)N1CCC(C)(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000877022543 597414161 /nfs/dbraw/zinc/41/41/61/597414161.db2.gz NFPYEBHLYJIFKE-JKSUJKDBSA-N 2 1 339.480 1.698 20 0 EDADMP CCOC(=O)N1CCC(C)(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000877022543 597414162 /nfs/dbraw/zinc/41/41/62/597414162.db2.gz NFPYEBHLYJIFKE-JKSUJKDBSA-N 2 1 339.480 1.698 20 0 EDADMP COC(=O)c1cccc2c(C[NH2+]C[C@@]3(O)CC[N@H+](C)C3)ccnc12 ZINC000877363274 597502015 /nfs/dbraw/zinc/50/20/15/597502015.db2.gz DBKHXVIPSKRBLR-SFHVURJKSA-N 2 1 329.400 1.178 20 0 EDADMP COC(=O)c1cccc2c(C[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)ccnc12 ZINC000877363274 597502017 /nfs/dbraw/zinc/50/20/17/597502017.db2.gz DBKHXVIPSKRBLR-SFHVURJKSA-N 2 1 329.400 1.178 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)cc2)CC1 ZINC000877389380 597507512 /nfs/dbraw/zinc/50/75/12/597507512.db2.gz BZUYOMVCPAMWMY-UYAOXDASSA-N 2 1 342.487 1.448 20 0 EDADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000877451218 597517248 /nfs/dbraw/zinc/51/72/48/597517248.db2.gz KQFMXDILALVGSW-CABCVRRESA-N 2 1 334.489 1.919 20 0 EDADMP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(S(N)(=O)=O)o3)C2)CC1 ZINC000877497612 597525216 /nfs/dbraw/zinc/52/52/16/597525216.db2.gz VIMVYBCLMJJSFB-UHFFFAOYSA-N 2 1 327.450 1.235 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(S(N)(=O)=O)o3)C2)CC1 ZINC000877497612 597525217 /nfs/dbraw/zinc/52/52/17/597525217.db2.gz VIMVYBCLMJJSFB-UHFFFAOYSA-N 2 1 327.450 1.235 20 0 EDADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(OC(F)F)cc1 ZINC000877900335 597562874 /nfs/dbraw/zinc/56/28/74/597562874.db2.gz RWSPQNJVGQMZPJ-UHFFFAOYSA-N 2 1 341.402 1.930 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(OC(F)F)cc1 ZINC000877900335 597562875 /nfs/dbraw/zinc/56/28/75/597562875.db2.gz RWSPQNJVGQMZPJ-UHFFFAOYSA-N 2 1 341.402 1.930 20 0 EDADMP Cc1nccc([C@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C)CC3)C2)n1 ZINC000877975988 597567316 /nfs/dbraw/zinc/56/73/16/597567316.db2.gz FCYZSQRFTDOECO-HNNXBMFYSA-N 2 1 331.464 1.175 20 0 EDADMP Cc1nccc([C@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C)CC3)C2)n1 ZINC000877975988 597567317 /nfs/dbraw/zinc/56/73/17/597567317.db2.gz FCYZSQRFTDOECO-HNNXBMFYSA-N 2 1 331.464 1.175 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878171574 597583991 /nfs/dbraw/zinc/58/39/91/597583991.db2.gz OOHAAFJOBOFUBC-IBGZPJMESA-N 2 1 344.503 1.403 20 0 EDADMP COc1ccc([C@@H]2CN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC[NH2+]2)cc1 ZINC000879524638 597616742 /nfs/dbraw/zinc/61/67/42/597616742.db2.gz ZWWAFKKWFMSHKY-OTWHNJEPSA-N 2 1 331.460 1.505 20 0 EDADMP COc1ccc([C@@H]2CN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC[NH2+]2)cc1 ZINC000879524638 597616744 /nfs/dbraw/zinc/61/67/44/597616744.db2.gz ZWWAFKKWFMSHKY-OTWHNJEPSA-N 2 1 331.460 1.505 20 0 EDADMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000881443095 597620451 /nfs/dbraw/zinc/62/04/51/597620451.db2.gz WBXBARHFMKVIMP-KRWDZBQOSA-N 2 1 337.508 1.822 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000879572058 597636192 /nfs/dbraw/zinc/63/61/92/597636192.db2.gz NURICFNEYKFXNX-SJORKVTESA-N 2 1 344.459 1.429 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000879572058 597636194 /nfs/dbraw/zinc/63/61/94/597636194.db2.gz NURICFNEYKFXNX-SJORKVTESA-N 2 1 344.459 1.429 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000879572058 597636195 /nfs/dbraw/zinc/63/61/95/597636195.db2.gz NURICFNEYKFXNX-SJORKVTESA-N 2 1 344.459 1.429 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000879572058 597636197 /nfs/dbraw/zinc/63/61/97/597636197.db2.gz NURICFNEYKFXNX-SJORKVTESA-N 2 1 344.459 1.429 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879578298 597640931 /nfs/dbraw/zinc/64/09/31/597640931.db2.gz CROYCAIIQIYSTR-RKVPGOIHSA-N 2 1 339.480 1.384 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879578298 597640934 /nfs/dbraw/zinc/64/09/34/597640934.db2.gz CROYCAIIQIYSTR-RKVPGOIHSA-N 2 1 339.480 1.384 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879578298 597640936 /nfs/dbraw/zinc/64/09/36/597640936.db2.gz CROYCAIIQIYSTR-RKVPGOIHSA-N 2 1 339.480 1.384 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879578298 597640937 /nfs/dbraw/zinc/64/09/37/597640937.db2.gz CROYCAIIQIYSTR-RKVPGOIHSA-N 2 1 339.480 1.384 20 0 EDADMP C[N@@H+]1CC[C@H]2C[NH+](CCCON3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000879579401 597642260 /nfs/dbraw/zinc/64/22/60/597642260.db2.gz LACQBIXGCCERMB-WMLDXEAASA-N 2 1 343.427 1.630 20 0 EDADMP C[N@H+]1CC[C@H]2C[NH+](CCCON3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000879579401 597642262 /nfs/dbraw/zinc/64/22/62/597642262.db2.gz LACQBIXGCCERMB-WMLDXEAASA-N 2 1 343.427 1.630 20 0 EDADMP C[NH+]1CC[C@H]2C[N@H+](CCCON3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000879579401 597642264 /nfs/dbraw/zinc/64/22/64/597642264.db2.gz LACQBIXGCCERMB-WMLDXEAASA-N 2 1 343.427 1.630 20 0 EDADMP C[NH+]1CC[C@H]2C[N@@H+](CCCON3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000879579401 597642266 /nfs/dbraw/zinc/64/22/66/597642266.db2.gz LACQBIXGCCERMB-WMLDXEAASA-N 2 1 343.427 1.630 20 0 EDADMP COCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000879709539 597697378 /nfs/dbraw/zinc/69/73/78/597697378.db2.gz MMLDVAPFFRPQQE-UHFFFAOYSA-N 2 1 327.513 1.530 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)C(C)C ZINC000883289685 597701326 /nfs/dbraw/zinc/70/13/26/597701326.db2.gz XAQHNJYZQUOCQY-KRWDZBQOSA-N 2 1 340.512 1.659 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC[C@@H]21 ZINC000878829927 597727242 /nfs/dbraw/zinc/72/72/42/597727242.db2.gz NBOJFSPICBURJO-CJNGLKHVSA-N 2 1 326.404 1.825 20 0 EDADMP [NH3+]C[C@@H](NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000883586624 597815201 /nfs/dbraw/zinc/81/52/01/597815201.db2.gz OXRIGQMHOLDHNI-ZWKOTPCHSA-N 2 1 343.475 1.830 20 0 EDADMP COCC[N@H+](CC(=O)N1CCC[C@@H](C)C1)CC1CC[NH+](C)CC1 ZINC000879123635 597826284 /nfs/dbraw/zinc/82/62/84/597826284.db2.gz XYMNKLQABAJXFN-MRXNPFEDSA-N 2 1 325.497 1.535 20 0 EDADMP COCC[N@@H+](C[C@H](O)CC1(O)CCCCC1)CC1CC[NH+](C)CC1 ZINC000879127593 597827599 /nfs/dbraw/zinc/82/75/99/597827599.db2.gz ZCGKPFLCGMZPMD-GOSISDBHSA-N 2 1 342.524 1.723 20 0 EDADMP OC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000880073129 597832110 /nfs/dbraw/zinc/83/21/10/597832110.db2.gz SVERBHXDBDWDDK-VQTJNVASSA-N 2 1 345.487 1.160 20 0 EDADMP OC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000880073129 597832113 /nfs/dbraw/zinc/83/21/13/597832113.db2.gz SVERBHXDBDWDDK-VQTJNVASSA-N 2 1 345.487 1.160 20 0 EDADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000879203610 597848162 /nfs/dbraw/zinc/84/81/62/597848162.db2.gz QHSNFOXACMDKSJ-IBGZPJMESA-N 2 1 331.460 1.310 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000879211251 597850193 /nfs/dbraw/zinc/85/01/93/597850193.db2.gz DWQKTVILFODESF-OAGGEKHMSA-N 2 1 341.496 1.536 20 0 EDADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2CCCON1C(=O)c2ccccc2C1=O ZINC000880142755 597854914 /nfs/dbraw/zinc/85/49/14/597854914.db2.gz UESIJMXBAXQFCM-SJORKVTESA-N 2 1 343.427 1.773 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000883715866 597873653 /nfs/dbraw/zinc/87/36/53/597873653.db2.gz VLLDFHAGEVEBPX-KRWDZBQOSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C ZINC000880664156 597991021 /nfs/dbraw/zinc/99/10/21/597991021.db2.gz MPIDGNOPYOSKJG-KEYYUXOJSA-N 2 1 335.496 1.464 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C ZINC000880664156 597991024 /nfs/dbraw/zinc/99/10/24/597991024.db2.gz MPIDGNOPYOSKJG-KEYYUXOJSA-N 2 1 335.496 1.464 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000881388451 598137561 /nfs/dbraw/zinc/13/75/61/598137561.db2.gz NQLPVKZXFMASQV-INIZCTEOSA-N 2 1 325.497 1.722 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040913601 699975985 /nfs/dbraw/zinc/97/59/85/699975985.db2.gz BTGCWKBXMAFYPD-IRXDYDNUSA-N 2 1 337.508 1.678 20 0 EDADMP CO[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001040747094 695241814 /nfs/dbraw/zinc/24/18/14/695241814.db2.gz LMPDHCUOJRQHPF-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C[C@H]1C ZINC000914171666 695250347 /nfs/dbraw/zinc/25/03/47/695250347.db2.gz KXCSBUFIRUGAPA-IKGGRYGDSA-N 2 1 343.537 1.607 20 0 EDADMP CC[NH+]1CC[C@H](N(C)S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C ZINC000914171666 695250349 /nfs/dbraw/zinc/25/03/49/695250349.db2.gz KXCSBUFIRUGAPA-IKGGRYGDSA-N 2 1 343.537 1.607 20 0 EDADMP CC[NH+]1CC[C@H](N(C)S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)[C@H](C)C1 ZINC000914179171 695258938 /nfs/dbraw/zinc/25/89/38/695258938.db2.gz CNRMWGOUGJDZPU-IKGGRYGDSA-N 2 1 343.537 1.464 20 0 EDADMP Cc1nccn1CCCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000914247647 695309533 /nfs/dbraw/zinc/30/95/33/695309533.db2.gz CEGQYBOUHCQZLA-LSDHHAIUSA-N 2 1 337.493 1.461 20 0 EDADMP CCc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cc(C)[nH+]1 ZINC001060476361 695406195 /nfs/dbraw/zinc/40/61/95/695406195.db2.gz FSGKFZZDZJRYPZ-QQQXPLKNSA-N 2 1 343.475 1.096 20 0 EDADMP CCc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc(C)[nH+]1 ZINC001060476361 695406197 /nfs/dbraw/zinc/40/61/97/695406197.db2.gz FSGKFZZDZJRYPZ-QQQXPLKNSA-N 2 1 343.475 1.096 20 0 EDADMP C[C@@H]1CC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@@H]2CCCC[C@@H]12 ZINC000915208342 695763361 /nfs/dbraw/zinc/76/33/61/695763361.db2.gz FMIVOXJAYUDJBK-OWCLPIDISA-N 2 1 348.491 1.861 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(c3cc[nH+]cc3)[C@@H](C)C1)CC2 ZINC000915266067 695773828 /nfs/dbraw/zinc/77/38/28/695773828.db2.gz BKKGSWKHCAKHHY-GOEBONIOSA-N 2 1 339.443 1.886 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CCc2cnn(C)c2)[C@@H]1C ZINC000993585160 696236230 /nfs/dbraw/zinc/23/62/30/696236230.db2.gz CGOZYNQUGWKQLG-WBVHZDCISA-N 2 1 344.463 1.137 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CCc2cnn(C)c2)[C@@H]1C ZINC000993585160 696236232 /nfs/dbraw/zinc/23/62/32/696236232.db2.gz CGOZYNQUGWKQLG-WBVHZDCISA-N 2 1 344.463 1.137 20 0 EDADMP Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)cn1 ZINC000993758164 696351586 /nfs/dbraw/zinc/35/15/86/696351586.db2.gz ICBFRPIYAJKEAW-RDTXWAMCSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)cn1 ZINC000993758164 696351589 /nfs/dbraw/zinc/35/15/89/696351589.db2.gz ICBFRPIYAJKEAW-RDTXWAMCSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nc(CC[NH+]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cs1 ZINC001015708522 696622501 /nfs/dbraw/zinc/62/25/01/696622501.db2.gz HTICDHALKAUBKY-HIFRSBDPSA-N 2 1 336.505 1.526 20 0 EDADMP Cc1nc(CC[NH+]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cs1 ZINC001015708522 696622502 /nfs/dbraw/zinc/62/25/02/696622502.db2.gz HTICDHALKAUBKY-HIFRSBDPSA-N 2 1 336.505 1.526 20 0 EDADMP Cc1nc(CC[N@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cs1 ZINC001015708522 696622503 /nfs/dbraw/zinc/62/25/03/696622503.db2.gz HTICDHALKAUBKY-HIFRSBDPSA-N 2 1 336.505 1.526 20 0 EDADMP Cc1nc(CC[N@@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cs1 ZINC001015708522 696622505 /nfs/dbraw/zinc/62/25/05/696622505.db2.gz HTICDHALKAUBKY-HIFRSBDPSA-N 2 1 336.505 1.526 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)s1 ZINC001015708308 696622523 /nfs/dbraw/zinc/62/25/23/696622523.db2.gz DKTQEJDDSDYMRY-WFASDCNBSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)s1 ZINC001015708308 696622524 /nfs/dbraw/zinc/62/25/24/696622524.db2.gz DKTQEJDDSDYMRY-WFASDCNBSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)s1 ZINC001015708308 696622525 /nfs/dbraw/zinc/62/25/25/696622525.db2.gz DKTQEJDDSDYMRY-WFASDCNBSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)s1 ZINC001015708308 696622527 /nfs/dbraw/zinc/62/25/27/696622527.db2.gz DKTQEJDDSDYMRY-WFASDCNBSA-N 2 1 336.505 1.792 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[NH+](C[C@H]3CC(C)(C)CO3)C2)C1 ZINC001015710559 696648097 /nfs/dbraw/zinc/64/80/97/696648097.db2.gz NPTSHKNBLSRXAC-JKSUJKDBSA-N 2 1 337.508 1.724 20 0 EDADMP CC1(C)CO[C@@H](C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001015710559 696648101 /nfs/dbraw/zinc/64/81/01/696648101.db2.gz NPTSHKNBLSRXAC-JKSUJKDBSA-N 2 1 337.508 1.724 20 0 EDADMP CC1(C)CO[C@@H](C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001015710559 696648102 /nfs/dbraw/zinc/64/81/02/696648102.db2.gz NPTSHKNBLSRXAC-JKSUJKDBSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1CCc1ccnn1C ZINC000994408675 696821218 /nfs/dbraw/zinc/82/12/18/696821218.db2.gz OMDJSWXAMGCAHM-WBVHZDCISA-N 2 1 333.480 1.028 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1CCc1ccnn1C ZINC000994408675 696821221 /nfs/dbraw/zinc/82/12/21/696821221.db2.gz OMDJSWXAMGCAHM-WBVHZDCISA-N 2 1 333.480 1.028 20 0 EDADMP Cc1nc(CN2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H]2C)c(C)o1 ZINC000994421532 696842791 /nfs/dbraw/zinc/84/27/91/696842791.db2.gz MHZWFYFUBBCYOE-BLLLJJGKSA-N 2 1 345.447 1.966 20 0 EDADMP COc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1OCCO ZINC000917017189 696878037 /nfs/dbraw/zinc/87/80/37/696878037.db2.gz LDYLBRBRVGIKCP-ZBFHGGJFSA-N 2 1 338.448 1.174 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC3(C2)CC[NH+](CCF)CC3)C1 ZINC001040816857 696984066 /nfs/dbraw/zinc/98/40/66/696984066.db2.gz GXMAOUNGKZCGAR-MRXNPFEDSA-N 2 1 341.471 1.380 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC3(C2)CC[NH+](CCF)CC3)C1 ZINC001040816857 696984068 /nfs/dbraw/zinc/98/40/68/696984068.db2.gz GXMAOUNGKZCGAR-MRXNPFEDSA-N 2 1 341.471 1.380 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CC[N@H+](C)[C@H]3C)C2)nc(C)[nH+]1 ZINC000917632605 697055717 /nfs/dbraw/zinc/05/57/17/697055717.db2.gz DDVJVGIGHSQSSQ-BPUTZDHNSA-N 2 1 346.479 1.454 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CC[N@@H+](C)[C@H]3C)C2)nc(C)[nH+]1 ZINC000917632605 697055720 /nfs/dbraw/zinc/05/57/20/697055720.db2.gz DDVJVGIGHSQSSQ-BPUTZDHNSA-N 2 1 346.479 1.454 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000919627076 697307362 /nfs/dbraw/zinc/30/73/62/697307362.db2.gz FDOOETZAYUGQBK-PMPSAXMXSA-N 2 1 338.521 1.350 20 0 EDADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000919627076 697307364 /nfs/dbraw/zinc/30/73/64/697307364.db2.gz FDOOETZAYUGQBK-PMPSAXMXSA-N 2 1 338.521 1.350 20 0 EDADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000919627076 697307367 /nfs/dbraw/zinc/30/73/67/697307367.db2.gz FDOOETZAYUGQBK-PMPSAXMXSA-N 2 1 338.521 1.350 20 0 EDADMP C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000919657233 697311640 /nfs/dbraw/zinc/31/16/40/697311640.db2.gz HRUFECWLGXNUGE-GOSISDBHSA-N 2 1 332.492 1.897 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=S)NC1CC[NH+](C)CC1 ZINC000920312178 697422190 /nfs/dbraw/zinc/42/21/90/697422190.db2.gz XBSMZAWNLGHFJH-ZNMIVQPWSA-N 2 1 326.554 1.911 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000920758833 697475600 /nfs/dbraw/zinc/47/56/00/697475600.db2.gz NXQLTBURPDEXOF-KRWDZBQOSA-N 2 1 325.497 1.726 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031674002 697482326 /nfs/dbraw/zinc/48/23/26/697482326.db2.gz AXGSKGDUWAOZRH-QGZVFWFLSA-N 2 1 332.448 1.181 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001031714745 697737580 /nfs/dbraw/zinc/73/75/80/697737580.db2.gz LYOATJKFLKKDED-HNNXBMFYSA-N 2 1 329.435 1.954 20 0 EDADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943518493 698433639 /nfs/dbraw/zinc/43/36/39/698433639.db2.gz SWCYPMBICKOAOH-AEFFLSMTSA-N 2 1 347.507 1.851 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001032094285 698589811 /nfs/dbraw/zinc/58/98/11/698589811.db2.gz FQJYMNUNWHEGDN-UHFFFAOYSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3nccs3)CC2)CC[N@H+]1C ZINC000940120264 700253816 /nfs/dbraw/zinc/25/38/16/700253816.db2.gz LPKXLKIBFDVBHB-ZIAGYGMSSA-N 2 1 336.505 1.954 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001032114866 698956792 /nfs/dbraw/zinc/95/67/92/698956792.db2.gz LRVBWCLFQAZMHK-UHFFFAOYSA-N 2 1 342.487 1.752 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(Cc3ccccc3F)C2)O1 ZINC001031765658 699056437 /nfs/dbraw/zinc/05/64/37/699056437.db2.gz KUFFMHHNUOCVGC-CXAGYDPISA-N 2 1 335.423 1.093 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(Cc3ccccc3F)C2)O1 ZINC001031765658 699056440 /nfs/dbraw/zinc/05/64/40/699056440.db2.gz KUFFMHHNUOCVGC-CXAGYDPISA-N 2 1 335.423 1.093 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)[C@H](C)C2)CC1 ZINC000947882372 699086130 /nfs/dbraw/zinc/08/61/30/699086130.db2.gz RKVBPKWIMPBROD-WBVHZDCISA-N 2 1 325.497 1.458 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941567599 701579910 /nfs/dbraw/zinc/57/99/10/701579910.db2.gz YGGBDPLXXXAYRF-MRXNPFEDSA-N 2 1 334.508 1.099 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cncn2C)C1 ZINC001031802469 699364679 /nfs/dbraw/zinc/36/46/79/699364679.db2.gz RRZBTKDIPSLURD-KRWDZBQOSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000939312862 699487372 /nfs/dbraw/zinc/48/73/72/699487372.db2.gz FIHDYOVERMCBQC-CRAIPNDOSA-N 2 1 349.450 1.485 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000939314225 699488035 /nfs/dbraw/zinc/48/80/35/699488035.db2.gz KMCITMQBEXJPDW-QAPCUYQASA-N 2 1 349.450 1.485 20 0 EDADMP COc1cc(C[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)ccn1 ZINC001031813270 699492176 /nfs/dbraw/zinc/49/21/76/699492176.db2.gz SHENEIAVVLHQLG-UHFFFAOYSA-N 2 1 344.459 1.267 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000939748339 699895054 /nfs/dbraw/zinc/89/50/54/699895054.db2.gz OSHKXTHIWJSEHE-BLLLJJGKSA-N 2 1 331.395 1.362 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031846573 699900704 /nfs/dbraw/zinc/90/07/04/699900704.db2.gz RVVOHNKXCNOYCC-UHFFFAOYSA-N 2 1 339.399 1.801 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031849825 699933240 /nfs/dbraw/zinc/93/32/40/699933240.db2.gz BOICTMYKFZHFTQ-UHFFFAOYSA-N 2 1 335.411 1.900 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940178051 700311455 /nfs/dbraw/zinc/31/14/55/700311455.db2.gz AUMPEKSRTHOAQI-KRWDZBQOSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000940328905 700507602 /nfs/dbraw/zinc/50/76/02/700507602.db2.gz MYBONJWDJVYEEY-CQSZACIVSA-N 2 1 334.464 1.796 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)no1 ZINC000940328963 700507830 /nfs/dbraw/zinc/50/78/30/700507830.db2.gz OYKGASAFHRITOL-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)no1 ZINC000940328963 700507834 /nfs/dbraw/zinc/50/78/34/700507834.db2.gz OYKGASAFHRITOL-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC000940328939 700507964 /nfs/dbraw/zinc/50/79/64/700507964.db2.gz OADZHJMCMZXMLU-CQSZACIVSA-N 2 1 349.479 1.587 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000940461986 700665488 /nfs/dbraw/zinc/66/54/88/700665488.db2.gz UYVAVVVTRMEROV-CQSZACIVSA-N 2 1 329.435 1.954 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940894861 700985927 /nfs/dbraw/zinc/98/59/27/700985927.db2.gz HULUFXCAFDUNPI-CZUORRHYSA-N 2 1 330.432 1.545 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](C[C@@H](CC)OC)C2)C1 ZINC001031919224 701044473 /nfs/dbraw/zinc/04/44/73/701044473.db2.gz OZXWLAOEDYPHSK-IAGOWNOFSA-N 2 1 325.497 1.581 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](CCOC3CCC3)C2)C1 ZINC001031919618 701048792 /nfs/dbraw/zinc/04/87/92/701048792.db2.gz WVBCFQSGKBLBEA-KRWDZBQOSA-N 2 1 337.508 1.726 20 0 EDADMP O=C(NCC1C[NH+](C[C@H]2CCOC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001031921866 701070250 /nfs/dbraw/zinc/07/02/50/701070250.db2.gz KHIOBANKEIYYHL-VQIMIIECSA-N 2 1 349.519 1.868 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cnn(C)c2)CC1(C)C ZINC000941032196 701073932 /nfs/dbraw/zinc/07/39/32/701073932.db2.gz GBRMZYKRVFOABR-DOTOQJQBSA-N 2 1 347.507 1.621 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)CC2(C)C)cn1 ZINC000941090860 701133994 /nfs/dbraw/zinc/13/39/94/701133994.db2.gz KZLDIQVNYPHICU-QGZVFWFLSA-N 2 1 347.507 1.685 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1C[NH+](C[C@H]3CCCCO3)C1)CC2 ZINC001031932055 701392839 /nfs/dbraw/zinc/39/28/39/701392839.db2.gz RMTHKUZEDCPYTI-SJLPKXTDSA-N 2 1 346.475 1.371 20 0 EDADMP Cc1nc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)c(C)o1 ZINC000941216503 701402821 /nfs/dbraw/zinc/40/28/21/701402821.db2.gz DKVULJCQIWSEDX-RDJZCZTQSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)c(C)o1 ZINC000941216503 701402822 /nfs/dbraw/zinc/40/28/22/701402822.db2.gz DKVULJCQIWSEDX-RDJZCZTQSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)c(C)o1 ZINC000941216503 701402824 /nfs/dbraw/zinc/40/28/24/701402824.db2.gz DKVULJCQIWSEDX-RDJZCZTQSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)c(C)o1 ZINC000941216503 701402826 /nfs/dbraw/zinc/40/28/26/701402826.db2.gz DKVULJCQIWSEDX-RDJZCZTQSA-N 2 1 348.491 1.960 20 0 EDADMP C[C@H](c1cnccn1)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941220482 701410901 /nfs/dbraw/zinc/41/09/01/701410901.db2.gz DYUQSMWFYXNATO-WBVHZDCISA-N 2 1 345.491 1.850 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCCO2)CC1(C)C ZINC000941222915 701413364 /nfs/dbraw/zinc/41/33/64/701413364.db2.gz AWSMUJWWXXWJAO-IRXDYDNUSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)CC1(C)C ZINC000941222915 701413365 /nfs/dbraw/zinc/41/33/65/701413365.db2.gz AWSMUJWWXXWJAO-IRXDYDNUSA-N 2 1 348.491 1.977 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941236901 701427409 /nfs/dbraw/zinc/42/74/09/701427409.db2.gz CNVZHJFUZMMEMH-QAPCUYQASA-N 2 1 347.503 1.959 20 0 EDADMP C[C@@H](F)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518410 706602496 /nfs/dbraw/zinc/60/24/96/706602496.db2.gz UBLXQTCWHMZMFT-WCXIOVBPSA-N 2 1 325.472 1.999 20 0 EDADMP C[C@@H](F)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518410 706602498 /nfs/dbraw/zinc/60/24/98/706602498.db2.gz UBLXQTCWHMZMFT-WCXIOVBPSA-N 2 1 325.472 1.999 20 0 EDADMP C[C@@H](F)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946518410 706602500 /nfs/dbraw/zinc/60/25/00/706602500.db2.gz UBLXQTCWHMZMFT-WCXIOVBPSA-N 2 1 325.472 1.999 20 0 EDADMP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000941461103 701544560 /nfs/dbraw/zinc/54/45/60/701544560.db2.gz YZGGOYRYVLVRND-SJLPKXTDSA-N 2 1 336.524 1.345 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)co1 ZINC000999175017 706606765 /nfs/dbraw/zinc/60/67/65/706606765.db2.gz SKXNGFCEKLZHDU-RDJZCZTQSA-N 2 1 332.448 1.405 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000995802109 702045930 /nfs/dbraw/zinc/04/59/30/702045930.db2.gz NROBAVNAQQASEM-CVEARBPZSA-N 2 1 345.491 1.676 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000995802109 702045937 /nfs/dbraw/zinc/04/59/37/702045937.db2.gz NROBAVNAQQASEM-CVEARBPZSA-N 2 1 345.491 1.676 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000995805338 702051000 /nfs/dbraw/zinc/05/10/00/702051000.db2.gz UTTYSZNYQMHYON-LSDHHAIUSA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000995805338 702051006 /nfs/dbraw/zinc/05/10/06/702051006.db2.gz UTTYSZNYQMHYON-LSDHHAIUSA-N 2 1 348.495 1.015 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCCc2nc(C)no2)C1 ZINC001032205643 702092216 /nfs/dbraw/zinc/09/22/16/702092216.db2.gz DKTIZTBXONGSKI-INIZCTEOSA-N 2 1 349.479 1.233 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825193 702096562 /nfs/dbraw/zinc/09/65/62/702096562.db2.gz RDZCAWOEBVHPRO-GOEBONIOSA-N 2 1 347.463 1.046 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001032206025 702122939 /nfs/dbraw/zinc/12/29/39/702122939.db2.gz PRHPEWUJXXBWGX-FUHWJXTLSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]Cc3ncccn3)C(C)(C)C2)CCC1 ZINC000995899190 702204175 /nfs/dbraw/zinc/20/41/75/702204175.db2.gz VPZOVAMRYJQHDO-CQSZACIVSA-N 2 1 331.464 1.288 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cn(C)nc3C)C2)CC[N@H+]1C ZINC000999204233 706649851 /nfs/dbraw/zinc/64/98/51/706649851.db2.gz DLBCZQACFDZYBC-OKZBNKHCSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)on1 ZINC000995916032 702276764 /nfs/dbraw/zinc/27/67/64/702276764.db2.gz HSRTUXGXDAWDKY-INIZCTEOSA-N 2 1 334.464 1.794 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@H]3CCc4ccc(F)cc43)C2)C1 ZINC001032186901 702287887 /nfs/dbraw/zinc/28/78/87/702287887.db2.gz ZBWFECLUHPCNMR-YJBOKZPZSA-N 2 1 331.435 1.813 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995965504 702311445 /nfs/dbraw/zinc/31/14/45/702311445.db2.gz CGRSZUGHJOOMGU-HOTGVXAUSA-N 2 1 334.464 1.794 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC001032186449 702326320 /nfs/dbraw/zinc/32/63/20/702326320.db2.gz QLQXICLZROMMMN-HNNXBMFYSA-N 2 1 329.435 1.812 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000995975088 702331620 /nfs/dbraw/zinc/33/16/20/702331620.db2.gz IMSPLMCVCDWIEV-LSDHHAIUSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1cc(CN[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)no1 ZINC000995980234 702338805 /nfs/dbraw/zinc/33/88/05/702338805.db2.gz LEUYMGLTGMEZPH-CVEARBPZSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)no1 ZINC000995980234 702338821 /nfs/dbraw/zinc/33/88/21/702338821.db2.gz LEUYMGLTGMEZPH-CVEARBPZSA-N 2 1 334.464 1.794 20 0 EDADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@@H]([NH2+]CC3CC3)C2)n[nH]1 ZINC000999212419 706665715 /nfs/dbraw/zinc/66/57/15/706665715.db2.gz ZLXJHDSRBXBMAN-PBHICJAKSA-N 2 1 331.464 1.781 20 0 EDADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@@H]([NH2+]CC3CC3)C2)n[nH]1 ZINC000999212419 706665717 /nfs/dbraw/zinc/66/57/17/706665717.db2.gz ZLXJHDSRBXBMAN-PBHICJAKSA-N 2 1 331.464 1.781 20 0 EDADMP C[C@H]1C[N@@H+](CCOC2CCC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944169329 702410972 /nfs/dbraw/zinc/41/09/72/702410972.db2.gz OBLXAXYESIOFBY-DOTOQJQBSA-N 2 1 335.492 1.478 20 0 EDADMP C[C@H]1C[N@@H+](CCC(F)(F)F)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944169663 702411811 /nfs/dbraw/zinc/41/18/11/702411811.db2.gz PCSODHJDLAGIHE-STQMWFEESA-N 2 1 333.398 1.861 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]C[C@H]2CCCOC2)C(C)(C)C1 ZINC000996041963 702458324 /nfs/dbraw/zinc/45/83/24/702458324.db2.gz IUYRHJMPNMJWAI-CVEARBPZSA-N 2 1 334.464 1.445 20 0 EDADMP CC(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996074693 702464372 /nfs/dbraw/zinc/46/43/72/702464372.db2.gz WRIMJSLMFPNJNA-IOSXPMGOSA-N 2 1 335.492 1.332 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CC1CC1 ZINC000996072560 702484648 /nfs/dbraw/zinc/48/46/48/702484648.db2.gz QEZARLBCSBPTOD-BHEGOAEISA-N 2 1 333.476 1.086 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995549988 702537632 /nfs/dbraw/zinc/53/76/32/702537632.db2.gz GSHQUFOIPFAHNU-IAGOWNOFSA-N 2 1 347.507 1.421 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C)c1ncccn1 ZINC000996224995 702634640 /nfs/dbraw/zinc/63/46/40/702634640.db2.gz YDLCASMRXUTZRB-GDBMZVCRSA-N 2 1 345.491 1.706 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)C1 ZINC000996300409 702691517 /nfs/dbraw/zinc/69/15/17/702691517.db2.gz LUSAKVPMJZATSZ-GJZGRUSLSA-N 2 1 331.464 1.145 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)C1 ZINC000996300409 702691519 /nfs/dbraw/zinc/69/15/19/702691519.db2.gz LUSAKVPMJZATSZ-GJZGRUSLSA-N 2 1 331.464 1.145 20 0 EDADMP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cscn2)C(C)(C)C1 ZINC000996300382 702691790 /nfs/dbraw/zinc/69/17/90/702691790.db2.gz LFQQEMHUABCCRF-DZGCQCFKSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cscn2)C(C)(C)C1 ZINC000996300382 702691792 /nfs/dbraw/zinc/69/17/92/702691792.db2.gz LFQQEMHUABCCRF-DZGCQCFKSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996300650 702692251 /nfs/dbraw/zinc/69/22/51/702692251.db2.gz NYSBMIFPPZNSJR-HOCLYGCPSA-N 2 1 333.480 1.231 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2nc(C)c(C)o2)C(C)(C)C1)[NH+](C)C ZINC000996315899 702704039 /nfs/dbraw/zinc/70/40/39/702704039.db2.gz UKJTVGDQBSLILV-LSDHHAIUSA-N 2 1 336.480 1.958 20 0 EDADMP C[C@@H]1C[N@H+](Cc2nccn2C)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256124 702747249 /nfs/dbraw/zinc/74/72/49/702747249.db2.gz CZWVWZUWOJRIKB-CVEARBPZSA-N 2 1 345.491 1.375 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2nccn2C)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256124 702747251 /nfs/dbraw/zinc/74/72/51/702747251.db2.gz CZWVWZUWOJRIKB-CVEARBPZSA-N 2 1 345.491 1.375 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000996506361 702827377 /nfs/dbraw/zinc/82/73/77/702827377.db2.gz LJYNOEVTFYOURJ-CVEARBPZSA-N 2 1 325.497 1.460 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996607664 702911162 /nfs/dbraw/zinc/91/11/62/702911162.db2.gz DJVOSJSCSMNKBK-SJORKVTESA-N 2 1 330.476 1.668 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3ncc(C4CC4)o3)CC2)CC[N@H+]1C ZINC000996608631 702912062 /nfs/dbraw/zinc/91/20/62/702912062.db2.gz SVGDNRPKORMHLZ-CZUORRHYSA-N 2 1 346.475 1.973 20 0 EDADMP CCc1nc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)no1 ZINC000996604181 702913694 /nfs/dbraw/zinc/91/36/94/702913694.db2.gz SFMNLPPWFALZKW-LSDHHAIUSA-N 2 1 349.479 1.443 20 0 EDADMP CCc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)no1 ZINC000996604181 702913697 /nfs/dbraw/zinc/91/36/97/702913697.db2.gz SFMNLPPWFALZKW-LSDHHAIUSA-N 2 1 349.479 1.443 20 0 EDADMP CCc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)no1 ZINC000996604181 702913700 /nfs/dbraw/zinc/91/37/00/702913700.db2.gz SFMNLPPWFALZKW-LSDHHAIUSA-N 2 1 349.479 1.443 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC([NH2+]CCF)CC1 ZINC000996671589 702972496 /nfs/dbraw/zinc/97/24/96/702972496.db2.gz PCHOUPMFBGSFBC-INIZCTEOSA-N 2 1 327.444 1.180 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996677478 702976466 /nfs/dbraw/zinc/97/64/66/702976466.db2.gz KFJCBURPTLIWCN-WBVHZDCISA-N 2 1 346.475 1.768 20 0 EDADMP Cc1conc1C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000996692907 702990144 /nfs/dbraw/zinc/99/01/44/702990144.db2.gz ZXBPXMOZEOEFJZ-MRXNPFEDSA-N 2 1 334.464 1.938 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996692870 702990209 /nfs/dbraw/zinc/99/02/09/702990209.db2.gz ZLFLHOBRKDMWMR-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996692867 702990253 /nfs/dbraw/zinc/99/02/53/702990253.db2.gz ZLFLHOBRKDMWMR-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP CC[C@H](C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1)[NH+](C)C ZINC000996718760 703012686 /nfs/dbraw/zinc/01/26/86/703012686.db2.gz PUNLKUWHKRKWFU-CQSZACIVSA-N 2 1 335.452 1.368 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000996725136 703019606 /nfs/dbraw/zinc/01/96/06/703019606.db2.gz SCILXWGPXLUKAG-QGZVFWFLSA-N 2 1 331.464 1.350 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2CCC([NH2+]Cc3cccnc3)CC2)no1 ZINC000996763750 703055980 /nfs/dbraw/zinc/05/59/80/703055980.db2.gz MWSNIJRCRIFTDF-UHFFFAOYSA-N 2 1 343.431 1.526 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)no1 ZINC000942597022 703111788 /nfs/dbraw/zinc/11/17/88/703111788.db2.gz HYFLHCWUYYXOKO-CXAGYDPISA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)no1 ZINC000942597022 703111789 /nfs/dbraw/zinc/11/17/89/703111789.db2.gz HYFLHCWUYYXOKO-CXAGYDPISA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598058 703112766 /nfs/dbraw/zinc/11/27/66/703112766.db2.gz QTRKLSRTDKLSOC-RDTXWAMCSA-N 2 1 347.507 1.397 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3cnon3)CC2)C1 ZINC000996901802 703172049 /nfs/dbraw/zinc/17/20/49/703172049.db2.gz AXSUGYPOGSUYMC-AWEZNQCLSA-N 2 1 335.452 1.272 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([NH2+]CC[C@H]3CCOC3)CC2)C1 ZINC000996997642 703254542 /nfs/dbraw/zinc/25/45/42/703254542.db2.gz FFESDVWMRPSQNM-INIZCTEOSA-N 2 1 337.508 1.726 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC000997002636 703259227 /nfs/dbraw/zinc/25/92/27/703259227.db2.gz XQPUCHCXGZAINS-KRWDZBQOSA-N 2 1 337.508 1.868 20 0 EDADMP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997004008 703260866 /nfs/dbraw/zinc/26/08/66/703260866.db2.gz BGZJEBTUDOMOTF-WMLDXEAASA-N 2 1 346.475 1.369 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(F)cc2)CC[N@H+]1C ZINC001032410249 703439704 /nfs/dbraw/zinc/43/97/04/703439704.db2.gz AEYUNFVIBZQCJA-XFKAJCMBSA-N 2 1 331.435 1.951 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3nc(C4CC4)no3)CC2)C1 ZINC000997183411 703468462 /nfs/dbraw/zinc/46/84/62/703468462.db2.gz JYTGVNDWCANDKP-CYBMUJFWSA-N 2 1 347.463 1.369 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3nc(C4CC4)no3)CC2)C1 ZINC000997183411 703468464 /nfs/dbraw/zinc/46/84/64/703468464.db2.gz JYTGVNDWCANDKP-CYBMUJFWSA-N 2 1 347.463 1.369 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)C1 ZINC000997300490 703544108 /nfs/dbraw/zinc/54/41/08/703544108.db2.gz WDOFSDVNICLRIS-QGZVFWFLSA-N 2 1 331.460 1.211 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3coc(C4CC4)n3)CC2)C1 ZINC000997300747 703544271 /nfs/dbraw/zinc/54/42/71/703544271.db2.gz WTMARHJFUMKWFO-AWEZNQCLSA-N 2 1 332.448 1.584 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)co1 ZINC000997361610 703595676 /nfs/dbraw/zinc/59/56/76/703595676.db2.gz WSWKKVIPIKLGSB-OKILXGFUSA-N 2 1 334.464 1.936 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2conc2C)CC1 ZINC000997366709 703600809 /nfs/dbraw/zinc/60/08/09/703600809.db2.gz JZRJRTVOWPVMEF-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCOCC1 ZINC001032433840 703612329 /nfs/dbraw/zinc/61/23/29/703612329.db2.gz SWVPRKUNXZPGOG-GBESFXJTSA-N 2 1 349.519 1.963 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032433840 703612332 /nfs/dbraw/zinc/61/23/32/703612332.db2.gz SWVPRKUNXZPGOG-GBESFXJTSA-N 2 1 349.519 1.963 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032433840 703612333 /nfs/dbraw/zinc/61/23/33/703612333.db2.gz SWVPRKUNXZPGOG-GBESFXJTSA-N 2 1 349.519 1.963 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](O)C1CCCCC1)C1CCC1 ZINC001032448048 703631626 /nfs/dbraw/zinc/63/16/26/703631626.db2.gz KYVJTIZJGWZIOF-FHWLQOOXSA-N 2 1 349.519 1.697 20 0 EDADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)C1CCCCC1)C1CCC1 ZINC001032448048 703631627 /nfs/dbraw/zinc/63/16/27/703631627.db2.gz KYVJTIZJGWZIOF-FHWLQOOXSA-N 2 1 349.519 1.697 20 0 EDADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)C1CCCCC1)C1CCC1 ZINC001032448048 703631628 /nfs/dbraw/zinc/63/16/28/703631628.db2.gz KYVJTIZJGWZIOF-FHWLQOOXSA-N 2 1 349.519 1.697 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(N(C)C)c1)[NH+](C)C ZINC001032474559 703694675 /nfs/dbraw/zinc/69/46/75/703694675.db2.gz DHIAZRDBVPTQBS-GBESFXJTSA-N 2 1 344.503 1.878 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(N(C)C)c1)[NH+](C)C ZINC001032474559 703694676 /nfs/dbraw/zinc/69/46/76/703694676.db2.gz DHIAZRDBVPTQBS-GBESFXJTSA-N 2 1 344.503 1.878 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(CO)cc1 ZINC001032479275 703714646 /nfs/dbraw/zinc/71/46/46/703714646.db2.gz LNHHOYPTAYGZAC-GBESFXJTSA-N 2 1 343.471 1.448 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)s1 ZINC000997604746 703900942 /nfs/dbraw/zinc/90/09/42/703900942.db2.gz CFQXESNTDSTZDL-INIZCTEOSA-N 2 1 336.505 1.874 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](C/C=C/Cl)CC1 ZINC000997637467 703939551 /nfs/dbraw/zinc/93/95/51/703939551.db2.gz XRPBWERRFKKWAY-VZHVPDSKSA-N 2 1 343.899 1.675 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](C/C=C/Cl)CC1 ZINC000997637467 703939556 /nfs/dbraw/zinc/93/95/56/703939556.db2.gz XRPBWERRFKKWAY-VZHVPDSKSA-N 2 1 343.899 1.675 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032522621 703970685 /nfs/dbraw/zinc/97/06/85/703970685.db2.gz MZWRXXTZOGPYJV-COXVUDFISA-N 2 1 326.400 1.270 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCc3ccns3)C2)CC[N@H+]1C ZINC001033092840 704169311 /nfs/dbraw/zinc/16/93/11/704169311.db2.gz WFBFCBFJWBYRRN-IJEWVQPXSA-N 2 1 336.505 1.559 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCc3ccns3)C2)CC[NH+]1C ZINC001033092840 704169315 /nfs/dbraw/zinc/16/93/15/704169315.db2.gz WFBFCBFJWBYRRN-IJEWVQPXSA-N 2 1 336.505 1.559 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCc3ccns3)C2)CC[NH+]1C ZINC001033092840 704169318 /nfs/dbraw/zinc/16/93/18/704169318.db2.gz WFBFCBFJWBYRRN-IJEWVQPXSA-N 2 1 336.505 1.559 20 0 EDADMP COc1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001033095054 704175739 /nfs/dbraw/zinc/17/57/39/704175739.db2.gz OMXWDUNZGCYITC-HYVNUMGLSA-N 2 1 346.475 1.463 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001033095054 704175741 /nfs/dbraw/zinc/17/57/41/704175741.db2.gz OMXWDUNZGCYITC-HYVNUMGLSA-N 2 1 346.475 1.463 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001033095054 704175743 /nfs/dbraw/zinc/17/57/43/704175743.db2.gz OMXWDUNZGCYITC-HYVNUMGLSA-N 2 1 346.475 1.463 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001033095054 704175745 /nfs/dbraw/zinc/17/57/45/704175745.db2.gz OMXWDUNZGCYITC-HYVNUMGLSA-N 2 1 346.475 1.463 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001033095054 704175748 /nfs/dbraw/zinc/17/57/48/704175748.db2.gz OMXWDUNZGCYITC-HYVNUMGLSA-N 2 1 346.475 1.463 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(F)cn3)C2)CC[N@H+]1C ZINC001033095055 704175840 /nfs/dbraw/zinc/17/58/40/704175840.db2.gz OPSSMTFIKLBHGU-KBRIMQKVSA-N 2 1 334.439 1.594 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(F)cn3)C2)CC[N@@H+]1C ZINC001033095055 704175842 /nfs/dbraw/zinc/17/58/42/704175842.db2.gz OPSSMTFIKLBHGU-KBRIMQKVSA-N 2 1 334.439 1.594 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(F)cn3)C2)CC[N@H+]1C ZINC001033095055 704175844 /nfs/dbraw/zinc/17/58/44/704175844.db2.gz OPSSMTFIKLBHGU-KBRIMQKVSA-N 2 1 334.439 1.594 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(F)cn3)C2)CC[NH+]1C ZINC001033095055 704175845 /nfs/dbraw/zinc/17/58/45/704175845.db2.gz OPSSMTFIKLBHGU-KBRIMQKVSA-N 2 1 334.439 1.594 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)CC[NH+]1C ZINC001033095055 704175847 /nfs/dbraw/zinc/17/58/47/704175847.db2.gz OPSSMTFIKLBHGU-KBRIMQKVSA-N 2 1 334.439 1.594 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3cncn3C)C2)CC[N@H+]1C ZINC001033095978 704183282 /nfs/dbraw/zinc/18/32/82/704183282.db2.gz GRYKKLWHYBWOLF-BHYGNILZSA-N 2 1 333.480 1.183 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cncn3C)C2)CC[N@@H+]1C ZINC001033095978 704183284 /nfs/dbraw/zinc/18/32/84/704183284.db2.gz GRYKKLWHYBWOLF-BHYGNILZSA-N 2 1 333.480 1.183 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cncn3C)C2)CC[N@H+]1C ZINC001033095978 704183286 /nfs/dbraw/zinc/18/32/86/704183286.db2.gz GRYKKLWHYBWOLF-BHYGNILZSA-N 2 1 333.480 1.183 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cncn3C)C2)CC[NH+]1C ZINC001033095978 704183287 /nfs/dbraw/zinc/18/32/87/704183287.db2.gz GRYKKLWHYBWOLF-BHYGNILZSA-N 2 1 333.480 1.183 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cncn3C)C2)CC[NH+]1C ZINC001033095978 704183289 /nfs/dbraw/zinc/18/32/89/704183289.db2.gz GRYKKLWHYBWOLF-BHYGNILZSA-N 2 1 333.480 1.183 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nncs3)C2)CC[N@@H+]1C ZINC000999303537 706796936 /nfs/dbraw/zinc/79/69/36/706796936.db2.gz NTBDZFZBPOSDJT-FEPKRQSRSA-N 2 1 337.493 1.347 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nncs3)C2)CC[N@H+]1C ZINC000999303537 706796938 /nfs/dbraw/zinc/79/69/38/706796938.db2.gz NTBDZFZBPOSDJT-FEPKRQSRSA-N 2 1 337.493 1.347 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999303690 706797381 /nfs/dbraw/zinc/79/73/81/706797381.db2.gz IGOYQRUPGUVGEK-SJORKVTESA-N 2 1 333.480 1.375 20 0 EDADMP O=C([C@H]1C[C@H]2CCCC[NH+]2C1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946592698 704230453 /nfs/dbraw/zinc/23/04/53/704230453.db2.gz USINFWYQICIKNQ-ZSYWTGECSA-N 2 1 349.519 1.414 20 0 EDADMP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946592698 704230454 /nfs/dbraw/zinc/23/04/54/704230454.db2.gz USINFWYQICIKNQ-ZSYWTGECSA-N 2 1 349.519 1.414 20 0 EDADMP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946592698 704230455 /nfs/dbraw/zinc/23/04/55/704230455.db2.gz USINFWYQICIKNQ-ZSYWTGECSA-N 2 1 349.519 1.414 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)on2)C1 ZINC000999300824 706803209 /nfs/dbraw/zinc/80/32/09/706803209.db2.gz BEDROGZZFNKPMV-DOTOQJQBSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)on2)C1 ZINC000999300824 706803210 /nfs/dbraw/zinc/80/32/10/706803210.db2.gz BEDROGZZFNKPMV-DOTOQJQBSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2ncc(C)o2)C1 ZINC000999303041 706806777 /nfs/dbraw/zinc/80/67/77/706806777.db2.gz HJJMTTUZQDFQLZ-CVEARBPZSA-N 2 1 334.464 1.938 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004382105 704361085 /nfs/dbraw/zinc/36/10/85/704361085.db2.gz SWGOZYYGQNNYME-ZWKOTPCHSA-N 2 1 337.508 1.676 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004382105 704361087 /nfs/dbraw/zinc/36/10/87/704361087.db2.gz SWGOZYYGQNNYME-ZWKOTPCHSA-N 2 1 337.508 1.676 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001004382105 704361090 /nfs/dbraw/zinc/36/10/90/704361090.db2.gz SWGOZYYGQNNYME-ZWKOTPCHSA-N 2 1 337.508 1.676 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001004382105 704361093 /nfs/dbraw/zinc/36/10/93/704361093.db2.gz SWGOZYYGQNNYME-ZWKOTPCHSA-N 2 1 337.508 1.676 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999306674 706811577 /nfs/dbraw/zinc/81/15/77/706811577.db2.gz LDHNNVIZAKCBFY-DLBZAZTESA-N 2 1 333.480 1.375 20 0 EDADMP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004441230 704423731 /nfs/dbraw/zinc/42/37/31/704423731.db2.gz HMILWTYLHOSMHN-NXHRZFHOSA-N 2 1 337.508 1.676 20 0 EDADMP COCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001004441230 704423732 /nfs/dbraw/zinc/42/37/32/704423732.db2.gz HMILWTYLHOSMHN-NXHRZFHOSA-N 2 1 337.508 1.676 20 0 EDADMP COCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004441230 704423733 /nfs/dbraw/zinc/42/37/33/704423733.db2.gz HMILWTYLHOSMHN-NXHRZFHOSA-N 2 1 337.508 1.676 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1)C1CC1 ZINC001004457356 704450730 /nfs/dbraw/zinc/45/07/30/704450730.db2.gz KEIQMLWSHLGHME-ZWKOTPCHSA-N 2 1 337.508 1.412 20 0 EDADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032540054 704595086 /nfs/dbraw/zinc/59/50/86/704595086.db2.gz OOSJGRJDIHEXQQ-LNLFQRSKSA-N 2 1 347.503 1.715 20 0 EDADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032540054 704595088 /nfs/dbraw/zinc/59/50/88/704595088.db2.gz OOSJGRJDIHEXQQ-LNLFQRSKSA-N 2 1 347.503 1.715 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000997723741 704619897 /nfs/dbraw/zinc/61/98/97/704619897.db2.gz WTKVZFXTNXOJBR-BQFCYCMXSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3nncs3)CC2)CC[N@H+]1C ZINC000997791955 704700289 /nfs/dbraw/zinc/70/02/89/704700289.db2.gz CANNKHOPEOTOLY-TZMCWYRMSA-N 2 1 337.493 1.207 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)oc1C ZINC000997860101 704768883 /nfs/dbraw/zinc/76/88/83/704768883.db2.gz FRDWWBLGLUNWBR-WMLDXEAASA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)oc1C ZINC000997860101 704768885 /nfs/dbraw/zinc/76/88/85/704768885.db2.gz FRDWWBLGLUNWBR-WMLDXEAASA-N 2 1 348.491 1.960 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CC(C)C)CC2)C1 ZINC000997872301 704777978 /nfs/dbraw/zinc/77/79/78/704777978.db2.gz ZOTHADBHDDPGMK-DOTOQJQBSA-N 2 1 325.497 1.580 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CC(C)C)CC2)C1 ZINC000997872301 704777979 /nfs/dbraw/zinc/77/79/79/704777979.db2.gz ZOTHADBHDDPGMK-DOTOQJQBSA-N 2 1 325.497 1.580 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2nnc(C)s2)CC1 ZINC000997916998 704976257 /nfs/dbraw/zinc/97/62/57/704976257.db2.gz YCVOSBQIHNBOTQ-UHFFFAOYSA-N 2 1 348.476 1.380 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000998005361 705163768 /nfs/dbraw/zinc/16/37/68/705163768.db2.gz AAYDQFLUQMJATH-IXDOHACOSA-N 2 1 325.497 1.676 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCC[NH+](CCOC)CC1 ZINC000998005361 705163770 /nfs/dbraw/zinc/16/37/70/705163770.db2.gz AAYDQFLUQMJATH-IXDOHACOSA-N 2 1 325.497 1.676 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCC[NH+](CCOC)CC1 ZINC000998005361 705163772 /nfs/dbraw/zinc/16/37/72/705163772.db2.gz AAYDQFLUQMJATH-IXDOHACOSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000998076625 705296467 /nfs/dbraw/zinc/29/64/67/705296467.db2.gz BDTAQEDNULZBET-XJKSGUPXSA-N 2 1 336.505 1.669 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)C1 ZINC000998081228 705300919 /nfs/dbraw/zinc/30/09/19/705300919.db2.gz HETFICUWQAOHOR-UHFFFAOYSA-N 2 1 335.452 1.130 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)oc1C ZINC000998080502 705306196 /nfs/dbraw/zinc/30/61/96/705306196.db2.gz BRTYVRPEBUOLMP-CXAGYDPISA-N 2 1 348.491 1.817 20 0 EDADMP Cn1cncc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000998082486 705309303 /nfs/dbraw/zinc/30/93/03/705309303.db2.gz PWJANGMZNBVRQE-UHFFFAOYSA-N 2 1 347.507 1.480 20 0 EDADMP Cc1cncc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000998083064 705312061 /nfs/dbraw/zinc/31/20/61/705312061.db2.gz UJEFTRCCFQOFIG-LPHOPBHVSA-N 2 1 344.503 1.916 20 0 EDADMP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000998084093 705314509 /nfs/dbraw/zinc/31/45/09/705314509.db2.gz ZNYVIOMOMLUKIT-KBPBESRZSA-N 2 1 349.479 1.752 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](O)c2ccccc2)CC1 ZINC001032602922 705406395 /nfs/dbraw/zinc/40/63/95/705406395.db2.gz HQZSPCFGKKPNGA-GBESFXJTSA-N 2 1 343.471 1.347 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H](O)c2ccccc2)CC1 ZINC001032602922 705406397 /nfs/dbraw/zinc/40/63/97/705406397.db2.gz HQZSPCFGKKPNGA-GBESFXJTSA-N 2 1 343.471 1.347 20 0 EDADMP CCN(C(=O)[C@@H]1CN(CC)CCO1)[C@H]1CCCN(CCF)CC1 ZINC000998188774 705493887 /nfs/dbraw/zinc/49/38/87/705493887.db2.gz KAPHNASGSLCLRJ-HOTGVXAUSA-N 2 1 329.460 1.380 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]Cc3csnn3)CC2)C1 ZINC000998215535 705536354 /nfs/dbraw/zinc/53/63/54/705536354.db2.gz ATXIEUYDLFOCIM-CQSZACIVSA-N 2 1 337.493 1.208 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000998268474 705644508 /nfs/dbraw/zinc/64/45/08/705644508.db2.gz GMSMRKYNTHHWMZ-UHFFFAOYSA-N 2 1 333.461 1.676 20 0 EDADMP Cc1cc(C)cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998582111 706015946 /nfs/dbraw/zinc/01/59/46/706015946.db2.gz CJQBPHSZUMRNKM-ACBHZAAOSA-N 2 1 345.487 1.713 20 0 EDADMP Cc1cc(C)cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998582111 706015950 /nfs/dbraw/zinc/01/59/50/706015950.db2.gz CJQBPHSZUMRNKM-ACBHZAAOSA-N 2 1 345.487 1.713 20 0 EDADMP CCc1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998584948 706017586 /nfs/dbraw/zinc/01/75/86/706017586.db2.gz HVRARAUVCHTPGS-CTWPCTMYSA-N 2 1 345.487 1.659 20 0 EDADMP CCc1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998584948 706017588 /nfs/dbraw/zinc/01/75/88/706017588.db2.gz HVRARAUVCHTPGS-CTWPCTMYSA-N 2 1 345.487 1.659 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)s1 ZINC000998718538 706150178 /nfs/dbraw/zinc/15/01/78/706150178.db2.gz CHOHFNULHJYILF-GJZGRUSLSA-N 2 1 336.505 1.935 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccn2C(F)F)C1 ZINC000998725028 706156662 /nfs/dbraw/zinc/15/66/62/706156662.db2.gz VKLNKDBSLHQUEN-CHWSQXEVSA-N 2 1 341.406 1.453 20 0 EDADMP CN(C)c1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC000998721482 706157349 /nfs/dbraw/zinc/15/73/49/706157349.db2.gz MKSOMYLXGXICIE-IAGOWNOFSA-N 2 1 345.491 1.322 20 0 EDADMP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998797480 706244695 /nfs/dbraw/zinc/24/46/95/706244695.db2.gz XBYVGNNBSGACTM-LHUBUQBQSA-N 2 1 346.475 1.509 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000998822133 706269113 /nfs/dbraw/zinc/26/91/13/706269113.db2.gz FXJVWQLFJKUIOT-ZWKOTPCHSA-N 2 1 335.492 1.788 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000998822133 706269118 /nfs/dbraw/zinc/26/91/18/706269118.db2.gz FXJVWQLFJKUIOT-ZWKOTPCHSA-N 2 1 335.492 1.788 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nncs2)C1 ZINC000998866709 706296337 /nfs/dbraw/zinc/29/63/37/706296337.db2.gz NQVTXELBOPGMDO-JXQTWKCFSA-N 2 1 337.493 1.492 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nncs2)C1 ZINC000998866709 706296339 /nfs/dbraw/zinc/29/63/39/706296339.db2.gz NQVTXELBOPGMDO-JXQTWKCFSA-N 2 1 337.493 1.492 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CC3=CCCCC3)C2)O1 ZINC000998984976 706403110 /nfs/dbraw/zinc/40/31/10/706403110.db2.gz UKWJTXWXZOHRLL-AGERRDQYSA-N 2 1 335.492 1.785 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CC3=CCCCC3)C2)O1 ZINC000998984976 706403114 /nfs/dbraw/zinc/40/31/14/706403114.db2.gz UKWJTXWXZOHRLL-AGERRDQYSA-N 2 1 335.492 1.785 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000999034893 706449772 /nfs/dbraw/zinc/44/97/72/706449772.db2.gz GECIWHPZCJQVQX-DAWZGUTISA-N 2 1 347.507 1.620 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccon2)C1 ZINC000999035810 706450541 /nfs/dbraw/zinc/45/05/41/706450541.db2.gz NERUMBKSIHSVEM-OFLPRAFFSA-N 2 1 334.464 1.874 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccon2)C1 ZINC000999035810 706450543 /nfs/dbraw/zinc/45/05/43/706450543.db2.gz NERUMBKSIHSVEM-OFLPRAFFSA-N 2 1 334.464 1.874 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2C)C1 ZINC000999036798 706451903 /nfs/dbraw/zinc/45/19/03/706451903.db2.gz VLGJUYTUTYZNIZ-UYSNPLJNSA-N 2 1 348.495 1.015 20 0 EDADMP Cc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC[C@@H]3C2)on1 ZINC000946517195 706520595 /nfs/dbraw/zinc/52/05/95/706520595.db2.gz BDQCCIUPHSPEOP-SOLBZPMBSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)CC[C@@H]3C2)on1 ZINC000946517195 706520598 /nfs/dbraw/zinc/52/05/98/706520598.db2.gz BDQCCIUPHSPEOP-SOLBZPMBSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)CC[C@@H]3C2)on1 ZINC000946517195 706520600 /nfs/dbraw/zinc/52/06/00/706520600.db2.gz BDQCCIUPHSPEOP-SOLBZPMBSA-N 2 1 346.475 1.748 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC000999347245 706858511 /nfs/dbraw/zinc/85/85/11/706858511.db2.gz HUDVKIFGLPRRNF-MSOLQXFVSA-N 2 1 347.507 1.479 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC000999373159 706867888 /nfs/dbraw/zinc/86/78/88/706867888.db2.gz FMIKHUZSQFPGNB-KRWDZBQOSA-N 2 1 347.507 1.565 20 0 EDADMP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000999377663 706871775 /nfs/dbraw/zinc/87/17/75/706871775.db2.gz WTSRQDDQPBZVCL-CVEARBPZSA-N 2 1 343.431 1.838 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC000999403981 706912526 /nfs/dbraw/zinc/91/25/26/706912526.db2.gz YLFHMYIKFKVMIE-KBPBESRZSA-N 2 1 337.493 1.493 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000999506309 707003973 /nfs/dbraw/zinc/00/39/73/707003973.db2.gz PYNPBOWJHICDTN-PREGVCBESA-N 2 1 348.495 1.157 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000999506309 707003975 /nfs/dbraw/zinc/00/39/75/707003975.db2.gz PYNPBOWJHICDTN-PREGVCBESA-N 2 1 348.495 1.157 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)s1 ZINC000999510671 707008585 /nfs/dbraw/zinc/00/85/85/707008585.db2.gz LPCLMCPMEXPURM-KBPBESRZSA-N 2 1 337.493 1.411 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)s1 ZINC000999510671 707008589 /nfs/dbraw/zinc/00/85/89/707008589.db2.gz LPCLMCPMEXPURM-KBPBESRZSA-N 2 1 337.493 1.411 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999572283 707078437 /nfs/dbraw/zinc/07/84/37/707078437.db2.gz CHENYJRFSFCZRU-QZTJIDSGSA-N 2 1 347.507 1.621 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000999686980 707239908 /nfs/dbraw/zinc/23/99/08/707239908.db2.gz CMKFKYDMKYIYEP-SYJJWHGVSA-N 2 1 345.491 1.250 20 0 EDADMP Cc1noc(CCC[N@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC001033266335 707292963 /nfs/dbraw/zinc/29/29/63/707292963.db2.gz NRXHMXWNWURICG-HNNXBMFYSA-N 2 1 346.435 1.048 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC001033266335 707292967 /nfs/dbraw/zinc/29/29/67/707292967.db2.gz NRXHMXWNWURICG-HNNXBMFYSA-N 2 1 346.435 1.048 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033270804 707300138 /nfs/dbraw/zinc/30/01/38/707300138.db2.gz HKOZKPDRYKUIKU-QGZVFWFLSA-N 2 1 339.399 1.977 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033270804 707300146 /nfs/dbraw/zinc/30/01/46/707300146.db2.gz HKOZKPDRYKUIKU-QGZVFWFLSA-N 2 1 339.399 1.977 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1)OC ZINC001033271275 707302991 /nfs/dbraw/zinc/30/29/91/707302991.db2.gz IKKCISMEZFAXGN-SJORKVTESA-N 2 1 330.432 1.906 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)OC)C[C@H]2CC1)[NH+](C)C ZINC000946784374 707309342 /nfs/dbraw/zinc/30/93/42/707309342.db2.gz HXUIBGVTVTUGOF-NXOAAHMSSA-N 2 1 325.497 1.532 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033179811 707334926 /nfs/dbraw/zinc/33/49/26/707334926.db2.gz ABRCGPJHHAQKQD-GOSISDBHSA-N 2 1 349.519 1.822 20 0 EDADMP CC(C)=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033276740 707341385 /nfs/dbraw/zinc/34/13/85/707341385.db2.gz GCGOOUYEXKCJIX-VIHIWDAPSA-N 2 1 333.476 1.349 20 0 EDADMP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033276740 707341387 /nfs/dbraw/zinc/34/13/87/707341387.db2.gz GCGOOUYEXKCJIX-VIHIWDAPSA-N 2 1 333.476 1.349 20 0 EDADMP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033276740 707341389 /nfs/dbraw/zinc/34/13/89/707341389.db2.gz GCGOOUYEXKCJIX-VIHIWDAPSA-N 2 1 333.476 1.349 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999794825 707365953 /nfs/dbraw/zinc/36/59/53/707365953.db2.gz WBHGIXLWBBPWLJ-NVXWUHKLSA-N 2 1 347.463 1.333 20 0 EDADMP Cc1cccnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199508 707449564 /nfs/dbraw/zinc/44/95/64/707449564.db2.gz UJDBFICJOBURKI-FUHWJXTLSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199508 707449566 /nfs/dbraw/zinc/44/95/66/707449566.db2.gz UJDBFICJOBURKI-FUHWJXTLSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033199508 707449567 /nfs/dbraw/zinc/44/95/67/707449567.db2.gz UJDBFICJOBURKI-FUHWJXTLSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033199508 707449568 /nfs/dbraw/zinc/44/95/68/707449568.db2.gz UJDBFICJOBURKI-FUHWJXTLSA-N 2 1 330.476 1.907 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nn(C)cc2Cl)C1 ZINC000999831249 707458428 /nfs/dbraw/zinc/45/84/28/707458428.db2.gz JPFQTIPMSXOQKT-HIFPTAJRSA-N 2 1 339.871 1.104 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nn(C)cc2Cl)C1 ZINC000999831249 707458430 /nfs/dbraw/zinc/45/84/30/707458430.db2.gz JPFQTIPMSXOQKT-HIFPTAJRSA-N 2 1 339.871 1.104 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2ncccc2C)C1 ZINC000999836782 707472845 /nfs/dbraw/zinc/47/28/45/707472845.db2.gz LZYUENJYWNJKLX-UHFFFAOYSA-N 2 1 327.432 1.674 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001033317583 707504682 /nfs/dbraw/zinc/50/46/82/707504682.db2.gz BOBZHUYMYWBBTE-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)cn2)C1 ZINC000999875866 707522086 /nfs/dbraw/zinc/52/20/86/707522086.db2.gz BYMZOKXPKXCENL-VMWRSERWSA-N 2 1 345.491 1.738 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)ncn2)C1 ZINC000999876575 707523927 /nfs/dbraw/zinc/52/39/27/707523927.db2.gz OJRWBUYNMSLZCJ-VJFUWPCTSA-N 2 1 345.491 1.738 20 0 EDADMP C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004879943 707553083 /nfs/dbraw/zinc/55/30/83/707553083.db2.gz TWWYXHKXIKRNRT-CRAIPNDOSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC001060894478 707642579 /nfs/dbraw/zinc/64/25/79/707642579.db2.gz MTZSRFALSOAJFD-CVEARBPZSA-N 2 1 331.464 1.696 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC001060894478 707642580 /nfs/dbraw/zinc/64/25/80/707642580.db2.gz MTZSRFALSOAJFD-CVEARBPZSA-N 2 1 331.464 1.696 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](C(C)C)C2)nn1 ZINC000999986957 707658709 /nfs/dbraw/zinc/65/87/09/707658709.db2.gz LAXNQVXYCZRFBA-SJORKVTESA-N 2 1 348.495 1.424 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000999986957 707658711 /nfs/dbraw/zinc/65/87/11/707658711.db2.gz LAXNQVXYCZRFBA-SJORKVTESA-N 2 1 348.495 1.424 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999986957 707658712 /nfs/dbraw/zinc/65/87/12/707658712.db2.gz LAXNQVXYCZRFBA-SJORKVTESA-N 2 1 348.495 1.424 20 0 EDADMP CCCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999997947 707680323 /nfs/dbraw/zinc/68/03/23/707680323.db2.gz PIJOUZRQPMXMAQ-SJORKVTESA-N 2 1 348.495 1.426 20 0 EDADMP CCCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999997947 707680327 /nfs/dbraw/zinc/68/03/27/707680327.db2.gz PIJOUZRQPMXMAQ-SJORKVTESA-N 2 1 348.495 1.426 20 0 EDADMP CCCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C)nn2)C1 ZINC000999997947 707680331 /nfs/dbraw/zinc/68/03/31/707680331.db2.gz PIJOUZRQPMXMAQ-SJORKVTESA-N 2 1 348.495 1.426 20 0 EDADMP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[N@@H+](C)C2)c(C)n1 ZINC001032730610 707729825 /nfs/dbraw/zinc/72/98/25/707729825.db2.gz KPZPHSHZSKQDOV-WDSOQIARSA-N 2 1 342.487 1.825 20 0 EDADMP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[N@H+](C)C2)c(C)n1 ZINC001032730610 707729828 /nfs/dbraw/zinc/72/98/28/707729828.db2.gz KPZPHSHZSKQDOV-WDSOQIARSA-N 2 1 342.487 1.825 20 0 EDADMP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[NH+](C)C2)c(C)n1 ZINC001032730610 707729831 /nfs/dbraw/zinc/72/98/31/707729831.db2.gz KPZPHSHZSKQDOV-WDSOQIARSA-N 2 1 342.487 1.825 20 0 EDADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[NH+](C)C2)c(C)n1 ZINC001032730610 707729835 /nfs/dbraw/zinc/72/98/35/707729835.db2.gz KPZPHSHZSKQDOV-WDSOQIARSA-N 2 1 342.487 1.825 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)c1 ZINC001033415692 707792858 /nfs/dbraw/zinc/79/28/58/707792858.db2.gz KBBQHRVTMQRIKD-FUHWJXTLSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC001033415692 707792859 /nfs/dbraw/zinc/79/28/59/707792859.db2.gz KBBQHRVTMQRIKD-FUHWJXTLSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)c1 ZINC001033415692 707792862 /nfs/dbraw/zinc/79/28/62/707792862.db2.gz KBBQHRVTMQRIKD-FUHWJXTLSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)c1 ZINC001033415692 707792865 /nfs/dbraw/zinc/79/28/65/707792865.db2.gz KBBQHRVTMQRIKD-FUHWJXTLSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033420519 707831897 /nfs/dbraw/zinc/83/18/97/707831897.db2.gz QDMNPGLXYIZESC-WBVHZDCISA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cccnc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420519 707831898 /nfs/dbraw/zinc/83/18/98/707831898.db2.gz QDMNPGLXYIZESC-WBVHZDCISA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420519 707831899 /nfs/dbraw/zinc/83/18/99/707831899.db2.gz QDMNPGLXYIZESC-WBVHZDCISA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033420518 707832057 /nfs/dbraw/zinc/83/20/57/707832057.db2.gz QDMNPGLXYIZESC-RDJZCZTQSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cccnc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420518 707832061 /nfs/dbraw/zinc/83/20/61/707832061.db2.gz QDMNPGLXYIZESC-RDJZCZTQSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420518 707832063 /nfs/dbraw/zinc/83/20/63/707832063.db2.gz QDMNPGLXYIZESC-RDJZCZTQSA-N 2 1 330.476 1.765 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](CCc3ccns3)C2)C1 ZINC001033421479 707834995 /nfs/dbraw/zinc/83/49/95/707834995.db2.gz YEMRCQPDLHNWHP-CABCVRRESA-N 2 1 336.505 1.560 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CCc3ccns3)C2)C1 ZINC001033421479 707834998 /nfs/dbraw/zinc/83/49/98/707834998.db2.gz YEMRCQPDLHNWHP-CABCVRRESA-N 2 1 336.505 1.560 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CCc3ccns3)C2)C1 ZINC001033421479 707834999 /nfs/dbraw/zinc/83/49/99/707834999.db2.gz YEMRCQPDLHNWHP-CABCVRRESA-N 2 1 336.505 1.560 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033227199 707842553 /nfs/dbraw/zinc/84/25/53/707842553.db2.gz BQPGOFNMDVNFOW-INIZCTEOSA-N 2 1 346.475 1.898 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033227199 707842554 /nfs/dbraw/zinc/84/25/54/707842554.db2.gz BQPGOFNMDVNFOW-INIZCTEOSA-N 2 1 346.475 1.898 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001033426747 707849302 /nfs/dbraw/zinc/84/93/02/707849302.db2.gz UMVUKDCXPZPDPK-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](C[C@H]2CCCCO2)C1 ZINC001033426747 707849305 /nfs/dbraw/zinc/84/93/05/707849305.db2.gz UMVUKDCXPZPDPK-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](C[C@H]2CCCCO2)C1 ZINC001033426747 707849308 /nfs/dbraw/zinc/84/93/08/707849308.db2.gz UMVUKDCXPZPDPK-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)no1 ZINC001004990581 707851902 /nfs/dbraw/zinc/85/19/02/707851902.db2.gz IQEMLGMDDLDWIK-NVXWUHKLSA-N 2 1 334.464 1.938 20 0 EDADMP CCc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC001061604832 707858186 /nfs/dbraw/zinc/85/81/86/707858186.db2.gz SCHXWVVGSVQRBC-LSDHHAIUSA-N 2 1 331.464 1.242 20 0 EDADMP CCc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC001061604832 707858188 /nfs/dbraw/zinc/85/81/88/707858188.db2.gz SCHXWVVGSVQRBC-LSDHHAIUSA-N 2 1 331.464 1.242 20 0 EDADMP Cn1cncc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@H]1CCOC1 ZINC001032759563 707869616 /nfs/dbraw/zinc/86/96/16/707869616.db2.gz SOXKWKIUGSULDA-SZMVWBNQSA-N 2 1 346.475 1.455 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001033229938 707888712 /nfs/dbraw/zinc/88/87/12/707888712.db2.gz XFKGNRBPZPGVRB-DLBZAZTESA-N 2 1 335.492 1.717 20 0 EDADMP CN(C)c1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)Cc3cnc[nH]3)C2)c1 ZINC001033457837 707907432 /nfs/dbraw/zinc/90/74/32/707907432.db2.gz DZDOIDQNZUHCAH-GOSISDBHSA-N 2 1 341.459 1.751 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001033474660 707963913 /nfs/dbraw/zinc/96/39/13/707963913.db2.gz JGCZWUSMZCIRHF-QZTJIDSGSA-N 2 1 337.508 1.678 20 0 EDADMP CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000921747478 707967268 /nfs/dbraw/zinc/96/72/68/707967268.db2.gz PEGUOFFYILGHMM-IXDOHACOSA-N 2 1 327.538 1.657 20 0 EDADMP CCc1cnc(CN2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001005177741 708118963 /nfs/dbraw/zinc/11/89/63/708118963.db2.gz DGQDALXYIGZSGB-MRXNPFEDSA-N 2 1 334.464 1.754 20 0 EDADMP COc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC001005178145 708119766 /nfs/dbraw/zinc/11/97/66/708119766.db2.gz GGZZQDMQPGRNCP-INIZCTEOSA-N 2 1 347.463 1.002 20 0 EDADMP COc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)nn1 ZINC001005178145 708119768 /nfs/dbraw/zinc/11/97/68/708119768.db2.gz GGZZQDMQPGRNCP-INIZCTEOSA-N 2 1 347.463 1.002 20 0 EDADMP CC[C@H](C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1)OC ZINC001033530506 708150910 /nfs/dbraw/zinc/15/09/10/708150910.db2.gz CNYPFEPBRLRZCN-DLBZAZTESA-N 2 1 325.497 1.676 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](C[C@H]3CCCCO3)C2)CC1 ZINC001033531541 708154741 /nfs/dbraw/zinc/15/47/41/708154741.db2.gz LONYVDWZTRVUKX-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001061012382 708172875 /nfs/dbraw/zinc/17/28/75/708172875.db2.gz DANMNLCKAKFSEC-VNQPRFMTSA-N 2 1 331.464 1.694 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001061012382 708172879 /nfs/dbraw/zinc/17/28/79/708172879.db2.gz DANMNLCKAKFSEC-VNQPRFMTSA-N 2 1 331.464 1.694 20 0 EDADMP CO[C@H](C)C[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001775096 708267826 /nfs/dbraw/zinc/26/78/26/708267826.db2.gz ZAQOJQICWDWJGJ-PBHICJAKSA-N 2 1 348.491 1.617 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001775157 708268233 /nfs/dbraw/zinc/26/82/33/708268233.db2.gz ZAQOJQICWDWJGJ-YOEHRIQHSA-N 2 1 348.491 1.617 20 0 EDADMP CC(C)=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001756644 708280006 /nfs/dbraw/zinc/28/00/06/708280006.db2.gz GVUINPYCCLQLPP-GOSISDBHSA-N 2 1 337.508 1.890 20 0 EDADMP CC[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001757558 708281243 /nfs/dbraw/zinc/28/12/43/708281243.db2.gz VLFBQAWVISHMJJ-SJLPKXTDSA-N 2 1 339.524 1.970 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033666770 708452532 /nfs/dbraw/zinc/45/25/32/708452532.db2.gz ZGPHSJKOMPSVDL-GOSISDBHSA-N 2 1 347.507 1.901 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033666770 708452535 /nfs/dbraw/zinc/45/25/35/708452535.db2.gz ZGPHSJKOMPSVDL-GOSISDBHSA-N 2 1 347.507 1.901 20 0 EDADMP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922892403 708507852 /nfs/dbraw/zinc/50/78/52/708507852.db2.gz PELKFNPKNDPAPZ-SFHVURJKSA-N 2 1 335.492 1.763 20 0 EDADMP CCc1nocc1C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002121137 708635101 /nfs/dbraw/zinc/63/51/01/708635101.db2.gz OQDUJDIZDVRZMZ-HNNXBMFYSA-N 2 1 334.464 1.517 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2scnc2C)C1 ZINC001033773496 708672287 /nfs/dbraw/zinc/67/22/87/708672287.db2.gz GPIDRZWJZGLIGZ-HUUCEWRRSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC001033773496 708672288 /nfs/dbraw/zinc/67/22/88/708672288.db2.gz GPIDRZWJZGLIGZ-HUUCEWRRSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2scnc2C)C1 ZINC001033773496 708672289 /nfs/dbraw/zinc/67/22/89/708672289.db2.gz GPIDRZWJZGLIGZ-HUUCEWRRSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2scnc2C)C1 ZINC001033773496 708672290 /nfs/dbraw/zinc/67/22/90/708672290.db2.gz GPIDRZWJZGLIGZ-HUUCEWRRSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccnc(OC)c2)C1 ZINC001033774914 708674509 /nfs/dbraw/zinc/67/45/09/708674509.db2.gz KVXZQYCJDFWJTN-IAGOWNOFSA-N 2 1 346.475 1.607 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccnc(OC)c2)C1 ZINC001033774914 708674511 /nfs/dbraw/zinc/67/45/11/708674511.db2.gz KVXZQYCJDFWJTN-IAGOWNOFSA-N 2 1 346.475 1.607 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccnc(OC)c2)C1 ZINC001033774914 708674513 /nfs/dbraw/zinc/67/45/13/708674513.db2.gz KVXZQYCJDFWJTN-IAGOWNOFSA-N 2 1 346.475 1.607 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccnc(OC)c2)C1 ZINC001033774914 708674514 /nfs/dbraw/zinc/67/45/14/708674514.db2.gz KVXZQYCJDFWJTN-IAGOWNOFSA-N 2 1 346.475 1.607 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001002139067 708676156 /nfs/dbraw/zinc/67/61/56/708676156.db2.gz QRYODSXVEZQTBZ-GOSISDBHSA-N 2 1 346.475 1.131 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001002139067 708676157 /nfs/dbraw/zinc/67/61/57/708676157.db2.gz QRYODSXVEZQTBZ-GOSISDBHSA-N 2 1 346.475 1.131 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033829600 708850124 /nfs/dbraw/zinc/85/01/24/708850124.db2.gz YDFYKHKTPFSJSA-ZWKOTPCHSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033829600 708850127 /nfs/dbraw/zinc/85/01/27/708850127.db2.gz YDFYKHKTPFSJSA-ZWKOTPCHSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033829600 708850128 /nfs/dbraw/zinc/85/01/28/708850128.db2.gz YDFYKHKTPFSJSA-ZWKOTPCHSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033829600 708850132 /nfs/dbraw/zinc/85/01/32/708850132.db2.gz YDFYKHKTPFSJSA-ZWKOTPCHSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033904309 709032321 /nfs/dbraw/zinc/03/23/21/709032321.db2.gz FMZMOZLIQKJSFD-SFANZJOMSA-N 2 1 347.503 1.573 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033904309 709032324 /nfs/dbraw/zinc/03/23/24/709032324.db2.gz FMZMOZLIQKJSFD-SFANZJOMSA-N 2 1 347.503 1.573 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033904309 709032325 /nfs/dbraw/zinc/03/23/25/709032325.db2.gz FMZMOZLIQKJSFD-SFANZJOMSA-N 2 1 347.503 1.573 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001005476590 709113778 /nfs/dbraw/zinc/11/37/78/709113778.db2.gz OFFXNIFNNIYNFI-GOSISDBHSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033939951 709145546 /nfs/dbraw/zinc/14/55/46/709145546.db2.gz FDPQMHVTOWJHLU-KRWDZBQOSA-N 2 1 333.480 1.185 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033939951 709145548 /nfs/dbraw/zinc/14/55/48/709145548.db2.gz FDPQMHVTOWJHLU-KRWDZBQOSA-N 2 1 333.480 1.185 20 0 EDADMP CCN(C(=O)c1cc(-n2ccnc2)ccn1)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034008726 709219307 /nfs/dbraw/zinc/21/93/07/709219307.db2.gz BRYGHUNMLAGSRU-GDBMZVCRSA-N 2 1 343.431 1.185 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C1CC[NH+](CC2CC2)CC1 ZINC001005496773 709230718 /nfs/dbraw/zinc/23/07/18/709230718.db2.gz IKBQQMPHLSXJJK-LJQANCHMSA-N 2 1 349.519 1.963 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCc2cnn(CC)c2)C1 ZINC001034037723 709270329 /nfs/dbraw/zinc/27/03/29/709270329.db2.gz DWYPMUIRLXGSPB-QZTJIDSGSA-N 2 1 347.507 1.320 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001034037723 709270334 /nfs/dbraw/zinc/27/03/34/709270334.db2.gz DWYPMUIRLXGSPB-QZTJIDSGSA-N 2 1 347.507 1.320 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001034037723 709270335 /nfs/dbraw/zinc/27/03/35/709270335.db2.gz DWYPMUIRLXGSPB-QZTJIDSGSA-N 2 1 347.507 1.320 20 0 EDADMP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001034212973 709564208 /nfs/dbraw/zinc/56/42/08/709564208.db2.gz SNAIYGIJYQPJMN-AEFFLSMTSA-N 2 1 346.475 1.796 20 0 EDADMP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001034212973 709564211 /nfs/dbraw/zinc/56/42/11/709564211.db2.gz SNAIYGIJYQPJMN-AEFFLSMTSA-N 2 1 346.475 1.796 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CCc3ccnn3C)C2)CC[N@H+]1C ZINC001034215307 709568630 /nfs/dbraw/zinc/56/86/30/709568630.db2.gz XTIOHJRJQUTYDL-JFIYKMOQSA-N 2 1 347.507 1.274 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCc3ccnn3C)C2)CC[NH+]1C ZINC001034215307 709568634 /nfs/dbraw/zinc/56/86/34/709568634.db2.gz XTIOHJRJQUTYDL-JFIYKMOQSA-N 2 1 347.507 1.274 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCc3ccnn3C)C2)CC[NH+]1C ZINC001034215307 709568637 /nfs/dbraw/zinc/56/86/37/709568637.db2.gz XTIOHJRJQUTYDL-JFIYKMOQSA-N 2 1 347.507 1.274 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCn2cncn2)C1 ZINC001034238867 709620644 /nfs/dbraw/zinc/62/06/44/709620644.db2.gz GHWDSXLAUGSBAL-SJORKVTESA-N 2 1 348.495 1.123 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCn2cncn2)C1 ZINC001034238867 709620647 /nfs/dbraw/zinc/62/06/47/709620647.db2.gz GHWDSXLAUGSBAL-SJORKVTESA-N 2 1 348.495 1.123 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCn2cncn2)C1 ZINC001034238867 709620650 /nfs/dbraw/zinc/62/06/50/709620650.db2.gz GHWDSXLAUGSBAL-SJORKVTESA-N 2 1 348.495 1.123 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnnn2CC)CC1 ZINC001002953767 709653888 /nfs/dbraw/zinc/65/38/88/709653888.db2.gz CHMULTFPDOLQAE-KRWDZBQOSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnnn2CC)CC1 ZINC001002953767 709653890 /nfs/dbraw/zinc/65/38/90/709653890.db2.gz CHMULTFPDOLQAE-KRWDZBQOSA-N 2 1 348.495 1.253 20 0 EDADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319110 709769102 /nfs/dbraw/zinc/76/91/02/709769102.db2.gz GRHKRHUCDAUGOO-AGYKMIKPSA-N 2 1 349.519 1.866 20 0 EDADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034319110 709769105 /nfs/dbraw/zinc/76/91/05/709769105.db2.gz GRHKRHUCDAUGOO-AGYKMIKPSA-N 2 1 349.519 1.866 20 0 EDADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034319110 709769109 /nfs/dbraw/zinc/76/91/09/709769109.db2.gz GRHKRHUCDAUGOO-AGYKMIKPSA-N 2 1 349.519 1.866 20 0 EDADMP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001034377271 709897818 /nfs/dbraw/zinc/89/78/18/709897818.db2.gz KVOYZUSXXLEMOC-QGZVFWFLSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001034377271 709897822 /nfs/dbraw/zinc/89/78/22/709897822.db2.gz KVOYZUSXXLEMOC-QGZVFWFLSA-N 2 1 345.491 1.598 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@H]2CCCC[NH+](CCO)C2)C1 ZINC001034395733 709933869 /nfs/dbraw/zinc/93/38/69/709933869.db2.gz CAAVBIKRRGHSGO-WMLDXEAASA-N 2 1 329.460 1.162 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@H]2CCCC[N@H+](CCO)C2)C1 ZINC001034395733 709933873 /nfs/dbraw/zinc/93/38/73/709933873.db2.gz CAAVBIKRRGHSGO-WMLDXEAASA-N 2 1 329.460 1.162 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@H]2CCCC[N@@H+](CCO)C2)C1 ZINC001034395733 709933878 /nfs/dbraw/zinc/93/38/78/709933878.db2.gz CAAVBIKRRGHSGO-WMLDXEAASA-N 2 1 329.460 1.162 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001003144826 710041085 /nfs/dbraw/zinc/04/10/85/710041085.db2.gz JXNSCHSTUMSKPW-WMZOPIPTSA-N 2 1 345.491 1.518 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001003144826 710041089 /nfs/dbraw/zinc/04/10/89/710041089.db2.gz JXNSCHSTUMSKPW-WMZOPIPTSA-N 2 1 345.491 1.518 20 0 EDADMP C[C@H](c1cnccn1)[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034489078 710138331 /nfs/dbraw/zinc/13/83/31/710138331.db2.gz ZVZRLJWOAICRQJ-HZPDHXFCSA-N 2 1 343.475 1.604 20 0 EDADMP C[C@H](c1cnccn1)[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034489078 710138333 /nfs/dbraw/zinc/13/83/33/710138333.db2.gz ZVZRLJWOAICRQJ-HZPDHXFCSA-N 2 1 343.475 1.604 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)cn1 ZINC001003242815 710165789 /nfs/dbraw/zinc/16/57/89/710165789.db2.gz MIFPJJGOKIWFJR-UHFFFAOYSA-N 2 1 343.475 1.494 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)s1 ZINC001034524200 710173124 /nfs/dbraw/zinc/17/31/24/710173124.db2.gz DZBGEXZQVAUISG-CABCVRRESA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001034524200 710173125 /nfs/dbraw/zinc/17/31/25/710173125.db2.gz DZBGEXZQVAUISG-CABCVRRESA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001034524200 710173129 /nfs/dbraw/zinc/17/31/29/710173129.db2.gz DZBGEXZQVAUISG-CABCVRRESA-N 2 1 336.505 1.874 20 0 EDADMP COc1ccnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001034525438 710175096 /nfs/dbraw/zinc/17/50/96/710175096.db2.gz MSMHCCDLTNWWPZ-HZPDHXFCSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001034525438 710175097 /nfs/dbraw/zinc/17/50/97/710175097.db2.gz MSMHCCDLTNWWPZ-HZPDHXFCSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001034525438 710175099 /nfs/dbraw/zinc/17/50/99/710175099.db2.gz MSMHCCDLTNWWPZ-HZPDHXFCSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001034525438 710175101 /nfs/dbraw/zinc/17/51/01/710175101.db2.gz MSMHCCDLTNWWPZ-HZPDHXFCSA-N 2 1 346.475 1.513 20 0 EDADMP CCc1nc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc(C)[nH+]1 ZINC001061757146 710196167 /nfs/dbraw/zinc/19/61/67/710196167.db2.gz GESGDRZSBNUDDL-BZUAXINKSA-N 2 1 345.491 1.630 20 0 EDADMP CCc1nc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc(C)[nH+]1 ZINC001061757146 710196170 /nfs/dbraw/zinc/19/61/70/710196170.db2.gz GESGDRZSBNUDDL-BZUAXINKSA-N 2 1 345.491 1.630 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001003318383 710246912 /nfs/dbraw/zinc/24/69/12/710246912.db2.gz HSGRQHVBBHBHIR-CQSZACIVSA-N 2 1 342.390 1.196 20 0 EDADMP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003333243 710257317 /nfs/dbraw/zinc/25/73/17/710257317.db2.gz QIUBSIBQXFKQPI-PSPFXIJKSA-N 2 1 335.492 1.476 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC001034607858 710280758 /nfs/dbraw/zinc/28/07/58/710280758.db2.gz UJZPPUREOIWNSJ-QBPKDAKJSA-N 2 1 337.508 1.913 20 0 EDADMP CC(C)c1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001034611540 710285985 /nfs/dbraw/zinc/28/59/85/710285985.db2.gz KUKDTFQPLVVTHZ-RBSFLKMASA-N 2 1 349.479 1.804 20 0 EDADMP CC(C)c1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001034611540 710285987 /nfs/dbraw/zinc/28/59/87/710285987.db2.gz KUKDTFQPLVVTHZ-RBSFLKMASA-N 2 1 349.479 1.804 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001032841573 710321039 /nfs/dbraw/zinc/32/10/39/710321039.db2.gz GTZOHYZEFMGPIA-CGTJXYLNSA-N 2 1 331.460 1.395 20 0 EDADMP Cc1cc(N(C)[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC001061266006 710362137 /nfs/dbraw/zinc/36/21/37/710362137.db2.gz LCEDQBOQAUMMIJ-RHSMWYFYSA-N 2 1 345.491 1.862 20 0 EDADMP Cc1cc(N(C)[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC001061266006 710362139 /nfs/dbraw/zinc/36/21/39/710362139.db2.gz LCEDQBOQAUMMIJ-RHSMWYFYSA-N 2 1 345.491 1.862 20 0 EDADMP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1)OC ZINC001003491397 710374107 /nfs/dbraw/zinc/37/41/07/710374107.db2.gz DRSLSQKXBILMLB-ZOBUZTSGSA-N 2 1 325.497 1.722 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001003628675 710458710 /nfs/dbraw/zinc/45/87/10/710458710.db2.gz SRXWFPUAFQSQFW-KBXCAEBGSA-N 2 1 343.487 1.814 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001003629895 710459353 /nfs/dbraw/zinc/45/93/53/710459353.db2.gz GPMAWYCVSWWFOJ-AWEZNQCLSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001003629895 710459354 /nfs/dbraw/zinc/45/93/54/710459354.db2.gz GPMAWYCVSWWFOJ-AWEZNQCLSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003629900 710459361 /nfs/dbraw/zinc/45/93/61/710459361.db2.gz GPMAWYCVSWWFOJ-CQSZACIVSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003629900 710459362 /nfs/dbraw/zinc/45/93/62/710459362.db2.gz GPMAWYCVSWWFOJ-CQSZACIVSA-N 2 1 331.464 1.207 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)nn1 ZINC001034672018 710617924 /nfs/dbraw/zinc/61/79/24/710617924.db2.gz GVNQBQQQXZTYED-ZOBUZTSGSA-N 2 1 348.495 1.299 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)ncn1 ZINC001005591859 710649331 /nfs/dbraw/zinc/64/93/31/710649331.db2.gz IDURZEROLKVVGE-SFHVURJKSA-N 2 1 345.491 1.692 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)CC2)ncn1 ZINC001005591859 710649333 /nfs/dbraw/zinc/64/93/33/710649333.db2.gz IDURZEROLKVVGE-SFHVURJKSA-N 2 1 345.491 1.692 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001034692355 710780760 /nfs/dbraw/zinc/78/07/60/710780760.db2.gz IFVVDSNIGQLJGD-ULQDDVLXSA-N 2 1 334.464 1.635 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1)c1nncn1C ZINC001034735321 710920504 /nfs/dbraw/zinc/92/05/04/710920504.db2.gz FGEOVZWNVHPSFN-FZKCQIBNSA-N 2 1 348.495 1.377 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cc1F ZINC001032945187 710923968 /nfs/dbraw/zinc/92/39/68/710923968.db2.gz OIONYEJRERRDTQ-DOTOQJQBSA-N 2 1 349.450 1.961 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cc1F ZINC001032945187 710923975 /nfs/dbraw/zinc/92/39/75/710923975.db2.gz OIONYEJRERRDTQ-DOTOQJQBSA-N 2 1 349.450 1.961 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1F ZINC001032945187 710923978 /nfs/dbraw/zinc/92/39/78/710923978.db2.gz OIONYEJRERRDTQ-DOTOQJQBSA-N 2 1 349.450 1.961 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cc1F ZINC001032945187 710923984 /nfs/dbraw/zinc/92/39/84/710923984.db2.gz OIONYEJRERRDTQ-DOTOQJQBSA-N 2 1 349.450 1.961 20 0 EDADMP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)no1 ZINC001034738639 710930379 /nfs/dbraw/zinc/93/03/79/710930379.db2.gz VEXJFLVWWZUFQA-ZQDZILKHSA-N 2 1 349.479 1.347 20 0 EDADMP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)no1 ZINC001034738639 710930383 /nfs/dbraw/zinc/93/03/83/710930383.db2.gz VEXJFLVWWZUFQA-ZQDZILKHSA-N 2 1 349.479 1.347 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001034737022 710948545 /nfs/dbraw/zinc/94/85/45/710948545.db2.gz GTNLFAOGIDWLAQ-TUVASFSCSA-N 2 1 349.479 1.347 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001034737022 710948549 /nfs/dbraw/zinc/94/85/49/710948549.db2.gz GTNLFAOGIDWLAQ-TUVASFSCSA-N 2 1 349.479 1.347 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)on1 ZINC001034777800 711054444 /nfs/dbraw/zinc/05/44/44/711054444.db2.gz BDNMPHDDJRMYSW-BZUAXINKSA-N 2 1 334.464 1.842 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001032979413 711101953 /nfs/dbraw/zinc/10/19/53/711101953.db2.gz HYRBAIQWCJMRJX-IAGOWNOFSA-N 2 1 335.492 1.430 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001032979413 711101956 /nfs/dbraw/zinc/10/19/56/711101956.db2.gz HYRBAIQWCJMRJX-IAGOWNOFSA-N 2 1 335.492 1.430 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001032979413 711101960 /nfs/dbraw/zinc/10/19/60/711101960.db2.gz HYRBAIQWCJMRJX-IAGOWNOFSA-N 2 1 335.492 1.430 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001032979413 711101964 /nfs/dbraw/zinc/10/19/64/711101964.db2.gz HYRBAIQWCJMRJX-IAGOWNOFSA-N 2 1 335.492 1.430 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC001034794651 711111527 /nfs/dbraw/zinc/11/15/27/711111527.db2.gz MUGUIZUUTXZFDX-SHTZXODSSA-N 2 1 331.420 1.705 20 0 EDADMP Cc1ncsc1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003969484 711117689 /nfs/dbraw/zinc/11/76/89/711117689.db2.gz XDPYQEQGVZCNBZ-CQSZACIVSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1nnsc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034792128 711118386 /nfs/dbraw/zinc/11/83/86/711118386.db2.gz FSFNNFBBNZZEDK-IHRRRGAJSA-N 2 1 337.493 1.315 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034792048 711118560 /nfs/dbraw/zinc/11/85/60/711118560.db2.gz CUVRZRWNNLBOKA-BZUAXINKSA-N 2 1 331.464 1.254 20 0 EDADMP Cn1ccc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2)n1 ZINC001034810721 711172206 /nfs/dbraw/zinc/17/22/06/711172206.db2.gz JAUXQBIFEJHXHJ-SFHVURJKSA-N 2 1 341.459 1.420 20 0 EDADMP Cn1ccc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2)n1 ZINC001034810721 711172207 /nfs/dbraw/zinc/17/22/07/711172207.db2.gz JAUXQBIFEJHXHJ-SFHVURJKSA-N 2 1 341.459 1.420 20 0 EDADMP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001034881290 711281316 /nfs/dbraw/zinc/28/13/16/711281316.db2.gz GRMYXCNOAXFALM-CVEARBPZSA-N 2 1 332.448 1.265 20 0 EDADMP CCn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001034936240 711365242 /nfs/dbraw/zinc/36/52/42/711365242.db2.gz MKUGFIJIIHGFJX-CVEARBPZSA-N 2 1 348.495 1.251 20 0 EDADMP CCn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001034936240 711365245 /nfs/dbraw/zinc/36/52/45/711365245.db2.gz MKUGFIJIIHGFJX-CVEARBPZSA-N 2 1 348.495 1.251 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC[NH+](CCC2CC2)CC1 ZINC001005742885 711366360 /nfs/dbraw/zinc/36/63/60/711366360.db2.gz XADKBRDYGVSHLU-IPCDKGFNSA-N 2 1 347.503 1.573 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001034942893 711396250 /nfs/dbraw/zinc/39/62/50/711396250.db2.gz YEZCXFNUGJVAFV-DAXOMENPSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)cn1 ZINC001034957831 711430751 /nfs/dbraw/zinc/43/07/51/711430751.db2.gz LFJACDWHJCEJEH-QGZVFWFLSA-N 2 1 331.464 1.350 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(C(C)C)nn1)[NH+](C)C ZINC001034971044 711451211 /nfs/dbraw/zinc/45/12/11/711451211.db2.gz BKQJOZYDOFNAIF-HZPDHXFCSA-N 2 1 336.484 1.280 20 0 EDADMP Cc1ccccc1OCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004149198 711563542 /nfs/dbraw/zinc/56/35/42/711563542.db2.gz FZTXVDMCFBUMTF-QGZVFWFLSA-N 2 1 345.487 1.906 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@H]2CCC[N@H+]2C[C@@H](C)O)CC1 ZINC001004485314 711864575 /nfs/dbraw/zinc/86/45/75/711864575.db2.gz PSLVLJHDTVGJHJ-NVXWUHKLSA-N 2 1 334.464 1.275 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@H]2CCC[N@@H+]2C[C@@H](C)O)CC1 ZINC001004485314 711864578 /nfs/dbraw/zinc/86/45/78/711864578.db2.gz PSLVLJHDTVGJHJ-NVXWUHKLSA-N 2 1 334.464 1.275 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2conc2C)C1 ZINC001033127550 711878134 /nfs/dbraw/zinc/87/81/34/711878134.db2.gz VSOOWKBTDKZRKC-IAGOWNOFSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2conc2C)C1 ZINC001033127550 711878137 /nfs/dbraw/zinc/87/81/37/711878137.db2.gz VSOOWKBTDKZRKC-IAGOWNOFSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2conc2C)C1 ZINC001033127550 711878138 /nfs/dbraw/zinc/87/81/38/711878138.db2.gz VSOOWKBTDKZRKC-IAGOWNOFSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2conc2C)C1 ZINC001033127550 711878139 /nfs/dbraw/zinc/87/81/39/711878139.db2.gz VSOOWKBTDKZRKC-IAGOWNOFSA-N 2 1 334.464 1.890 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]2CC1)C1CC1 ZINC000946623513 711922970 /nfs/dbraw/zinc/92/29/70/711922970.db2.gz KUPDXGPWVDBELP-SOLBZPMBSA-N 2 1 346.475 1.685 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2CC1)[NH+](C)C ZINC000946633093 712054049 /nfs/dbraw/zinc/05/40/49/712054049.db2.gz HXDMHHDZUNVSGQ-NCOADZHNSA-N 2 1 325.497 1.124 20 0 EDADMP CO[C@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608414 712060976 /nfs/dbraw/zinc/06/09/76/712060976.db2.gz ZJJCNXKSXLJXLD-SJLPKXTDSA-N 2 1 349.519 1.820 20 0 EDADMP CO[C@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004619018 712080006 /nfs/dbraw/zinc/08/00/06/712080006.db2.gz ZERPJRDTYBZPGT-QAPCUYQASA-N 2 1 348.491 1.929 20 0 EDADMP CO[C@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004619018 712080008 /nfs/dbraw/zinc/08/00/08/712080008.db2.gz ZERPJRDTYBZPGT-QAPCUYQASA-N 2 1 348.491 1.929 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cccc(C(N)=O)c3)C2)CC1 ZINC000174893770 529775998 /nfs/dbraw/zinc/77/59/98/529775998.db2.gz WHHPHMOGMBVIGB-GOSISDBHSA-N 2 1 330.476 1.387 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cccc(C(N)=O)c3)C2)CC1 ZINC000174893770 529775999 /nfs/dbraw/zinc/77/59/99/529775999.db2.gz WHHPHMOGMBVIGB-GOSISDBHSA-N 2 1 330.476 1.387 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CCSC(F)(F)F)cn2)CC1 ZINC000177886326 529777989 /nfs/dbraw/zinc/77/79/89/529777989.db2.gz NWCAYKNWHAHFPZ-UHFFFAOYSA-N 2 1 335.399 1.571 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000559368074 306254558 /nfs/dbraw/zinc/25/45/58/306254558.db2.gz UOXTVFLBFQXGOT-OAHLLOKOSA-N 2 1 342.447 1.533 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cn2cc[nH+]c12 ZINC000559594241 306256914 /nfs/dbraw/zinc/25/69/14/306256914.db2.gz IJIOEJGWRLWGKZ-AWEZNQCLSA-N 2 1 343.431 1.428 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cn2cc[nH+]c12 ZINC000559594241 306256915 /nfs/dbraw/zinc/25/69/15/306256915.db2.gz IJIOEJGWRLWGKZ-AWEZNQCLSA-N 2 1 343.431 1.428 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000165309363 530036057 /nfs/dbraw/zinc/03/60/57/530036057.db2.gz NGNULQGMBZIJDY-HUUCEWRRSA-N 2 1 339.505 1.977 20 0 EDADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(=O)[nH]n1 ZINC000560521458 306273539 /nfs/dbraw/zinc/27/35/39/306273539.db2.gz QTQPXPOBDJKQSJ-ZFWWWQNUSA-N 2 1 347.488 1.883 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000560901572 306280829 /nfs/dbraw/zinc/28/08/29/306280829.db2.gz RAZOFWLAKNUMMV-GDBMZVCRSA-N 2 1 325.478 1.036 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000560901572 306280830 /nfs/dbraw/zinc/28/08/30/306280830.db2.gz RAZOFWLAKNUMMV-GDBMZVCRSA-N 2 1 325.478 1.036 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000412423676 304006503 /nfs/dbraw/zinc/00/65/03/304006503.db2.gz UFGNPZBYSARSHU-WBVHZDCISA-N 2 1 325.497 1.628 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000151493375 539754720 /nfs/dbraw/zinc/75/47/20/539754720.db2.gz LYMQQQHIFUPGCJ-CVEARBPZSA-N 2 1 328.501 1.514 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000151493375 539754723 /nfs/dbraw/zinc/75/47/23/539754723.db2.gz LYMQQQHIFUPGCJ-CVEARBPZSA-N 2 1 328.501 1.514 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000152439466 539812450 /nfs/dbraw/zinc/81/24/50/539812450.db2.gz DGJWDPGQYUQMMP-ULQDDVLXSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152439466 539812455 /nfs/dbraw/zinc/81/24/55/539812455.db2.gz DGJWDPGQYUQMMP-ULQDDVLXSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643208887 452070843 /nfs/dbraw/zinc/07/08/43/452070843.db2.gz RPZVMEAEGUZLOJ-HOTGVXAUSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643208887 452070851 /nfs/dbraw/zinc/07/08/51/452070851.db2.gz RPZVMEAEGUZLOJ-HOTGVXAUSA-N 2 1 326.485 1.221 20 0 EDADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000354326279 539942053 /nfs/dbraw/zinc/94/20/53/539942053.db2.gz CNUDDCPTHDUNEU-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000562751374 306307816 /nfs/dbraw/zinc/30/78/16/306307816.db2.gz OIXBBMYBJNNHSM-ROUUACIJSA-N 2 1 344.459 1.415 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000563114336 306318796 /nfs/dbraw/zinc/31/87/96/306318796.db2.gz YWARVOBFIOQGJJ-INIZCTEOSA-N 2 1 347.507 1.956 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000270885469 295923767 /nfs/dbraw/zinc/92/37/67/295923767.db2.gz BJWVAWIHTOOODA-INIZCTEOSA-N 2 1 349.475 1.671 20 0 EDADMP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1ccnc(N3CC[NH+](C)CC3)c1)CC2 ZINC000073995617 138222745 /nfs/dbraw/zinc/22/27/45/138222745.db2.gz ZFCXVZOGRHQCKL-SJORKVTESA-N 2 1 343.475 1.142 20 0 EDADMP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1ccnc(N3CC[NH+](C)CC3)c1)CC2 ZINC000073995617 138222746 /nfs/dbraw/zinc/22/27/46/138222746.db2.gz ZFCXVZOGRHQCKL-SJORKVTESA-N 2 1 343.475 1.142 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000079953914 138263020 /nfs/dbraw/zinc/26/30/20/138263020.db2.gz OGTYAYACXGSJAO-IYBDPMFKSA-N 2 1 338.496 1.223 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081289546 138265990 /nfs/dbraw/zinc/26/59/90/138265990.db2.gz NJAIYCJOYIAISR-GOSISDBHSA-N 2 1 337.508 1.870 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000081289546 138265991 /nfs/dbraw/zinc/26/59/91/138265991.db2.gz NJAIYCJOYIAISR-GOSISDBHSA-N 2 1 337.508 1.870 20 0 EDADMP CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000120516402 138315864 /nfs/dbraw/zinc/31/58/64/138315864.db2.gz LMOORDPUNYYFHG-DLBZAZTESA-N 2 1 337.508 1.865 20 0 EDADMP CCC[N@@H+](CCOCCO)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000133105319 138388526 /nfs/dbraw/zinc/38/85/26/138388526.db2.gz CPKWDJYVVVXGME-UHFFFAOYSA-N 2 1 336.480 1.783 20 0 EDADMP CCC[N@H+](CCOCCO)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000133105319 138388528 /nfs/dbraw/zinc/38/85/28/138388528.db2.gz CPKWDJYVVVXGME-UHFFFAOYSA-N 2 1 336.480 1.783 20 0 EDADMP CCC[N@@H+](CCOCCO)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000133105319 138388529 /nfs/dbraw/zinc/38/85/29/138388529.db2.gz CPKWDJYVVVXGME-UHFFFAOYSA-N 2 1 336.480 1.783 20 0 EDADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000563853227 306349729 /nfs/dbraw/zinc/34/97/29/306349729.db2.gz DQYWDZVRYSGJGD-CALCHBBNSA-N 2 1 328.460 1.626 20 0 EDADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1C ZINC000563958472 306353484 /nfs/dbraw/zinc/35/34/84/306353484.db2.gz SAFZDXROKSUPPY-ZWKOTPCHSA-N 2 1 336.476 1.398 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000178843958 138746413 /nfs/dbraw/zinc/74/64/13/138746413.db2.gz RLHMAIMYCBPHNT-WMLDXEAASA-N 2 1 325.497 1.709 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)N3CCC(C)CC3)C2)CC1 ZINC000107371592 219773186 /nfs/dbraw/zinc/77/31/86/219773186.db2.gz SBXJBXMRAIAHEV-ZWKOTPCHSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423488979 299320434 /nfs/dbraw/zinc/32/04/34/299320434.db2.gz FOKWTQCAZYJQRV-UHOSZYNNSA-N 2 1 333.476 1.417 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C[NH+]1CCCC1 ZINC000131710016 223262516 /nfs/dbraw/zinc/26/25/16/223262516.db2.gz YGSMMBIEEUYAGH-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C[NH+]1CCCC1 ZINC000131710016 223262518 /nfs/dbraw/zinc/26/25/18/223262518.db2.gz YGSMMBIEEUYAGH-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337725073 296108664 /nfs/dbraw/zinc/10/86/64/296108664.db2.gz SMUXVBQMQSRIFN-PKOBYXMFSA-N 2 1 349.519 1.964 20 0 EDADMP COc1cccc2c1CC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000414746201 304136344 /nfs/dbraw/zinc/13/63/44/304136344.db2.gz RUEMLUUOKYLOFP-OAHLLOKOSA-N 2 1 331.460 1.293 20 0 EDADMP COCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCCSC1 ZINC000414761601 304138365 /nfs/dbraw/zinc/13/83/65/304138365.db2.gz JOXPLMPLVNMSOH-GJZGRUSLSA-N 2 1 329.510 1.028 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773534 304139492 /nfs/dbraw/zinc/13/94/92/304139492.db2.gz DNGHVYKPPNFLJG-HUUCEWRRSA-N 2 1 327.428 1.604 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414773532 304139306 /nfs/dbraw/zinc/13/93/06/304139306.db2.gz DNGHVYKPPNFLJG-GJZGRUSLSA-N 2 1 327.428 1.604 20 0 EDADMP CC[N@@H+]1CCc2nc(NC(=O)c3csc(CC[NH3+])n3)sc2C1 ZINC000194825374 139000916 /nfs/dbraw/zinc/00/09/16/139000916.db2.gz CEHRUTALAQHVPS-UHFFFAOYSA-N 2 1 337.474 1.731 20 0 EDADMP CC[N@H+]1CCc2nc(NC(=O)c3csc(CC[NH3+])n3)sc2C1 ZINC000194825374 139000917 /nfs/dbraw/zinc/00/09/17/139000917.db2.gz CEHRUTALAQHVPS-UHFFFAOYSA-N 2 1 337.474 1.731 20 0 EDADMP Cc1cccc2nc(C[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)cn21 ZINC000195519281 139019460 /nfs/dbraw/zinc/01/94/60/139019460.db2.gz KJYIWRCAZRNEMC-UHFFFAOYSA-N 2 1 343.475 1.533 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000415155992 304166997 /nfs/dbraw/zinc/16/69/97/304166997.db2.gz WFPIXEQRXYRZEM-YOEHRIQHSA-N 2 1 346.475 1.533 20 0 EDADMP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CSC[NH2+]2)[C@@H]1c1cccs1 ZINC000237124551 139041292 /nfs/dbraw/zinc/04/12/92/139041292.db2.gz BUUPWSFGWKWKKM-MBNYWOFBSA-N 2 1 325.503 1.910 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CSC[NH2+]2)[C@@H]1c1cccs1 ZINC000237124551 139041293 /nfs/dbraw/zinc/04/12/93/139041293.db2.gz BUUPWSFGWKWKKM-MBNYWOFBSA-N 2 1 325.503 1.910 20 0 EDADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2COCC[NH2+]2)CCCC1)c1ccccc1 ZINC000237402452 139050140 /nfs/dbraw/zinc/05/01/40/139050140.db2.gz MJXIEGWCADKYOE-NVXWUHKLSA-N 2 1 331.460 1.755 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000496172476 284349750 /nfs/dbraw/zinc/34/97/50/284349750.db2.gz RTFYFFCEGFWGNQ-OAGGEKHMSA-N 2 1 343.512 1.972 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000262033874 284369353 /nfs/dbraw/zinc/36/93/53/284369353.db2.gz KEDSEOGJMPCPNY-ROUUACIJSA-N 2 1 330.476 1.186 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000567470102 306453168 /nfs/dbraw/zinc/45/31/68/306453168.db2.gz OHHWPDFRKKMZKK-IRXDYDNUSA-N 2 1 331.460 1.503 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C[C@H](C)O1 ZINC000237611236 139055668 /nfs/dbraw/zinc/05/56/68/139055668.db2.gz ZKHRYRJMLSBHKA-DAYGRLMNSA-N 2 1 331.460 1.316 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)c2)CCO1 ZINC000237677031 139057718 /nfs/dbraw/zinc/05/77/18/139057718.db2.gz SAXOBUIMJGXAEQ-WMLDXEAASA-N 2 1 333.476 1.897 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)c2)CCO1 ZINC000237677031 139057719 /nfs/dbraw/zinc/05/77/19/139057719.db2.gz SAXOBUIMJGXAEQ-WMLDXEAASA-N 2 1 333.476 1.897 20 0 EDADMP [NH3+]C1(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCCCC1 ZINC000237934795 139064390 /nfs/dbraw/zinc/06/43/90/139064390.db2.gz XCRRUMFGALXAIU-UHFFFAOYSA-N 2 1 331.460 1.797 20 0 EDADMP [NH3+][C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000238011901 139066417 /nfs/dbraw/zinc/06/64/17/139066417.db2.gz TTWDWLIYBWELMO-KRWDZBQOSA-N 2 1 331.460 1.838 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000111826852 220199322 /nfs/dbraw/zinc/19/93/22/220199322.db2.gz VYHDVVBVXKRRPW-JKSUJKDBSA-N 2 1 328.501 1.373 20 0 EDADMP [NH3+]Cc1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000238030564 139067152 /nfs/dbraw/zinc/06/71/52/139067152.db2.gz VUXJHJSNJGTURR-UHFFFAOYSA-N 2 1 330.457 1.996 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415239274 304177810 /nfs/dbraw/zinc/17/78/10/304177810.db2.gz NVEUZJBRNFODKD-ZIAGYGMSSA-N 2 1 334.464 1.881 20 0 EDADMP CNC(=O)NC(=O)[C@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245454735 139075682 /nfs/dbraw/zinc/07/56/82/139075682.db2.gz SDNYGAANYRULES-GOEBONIOSA-N 2 1 332.448 1.284 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245716968 139084344 /nfs/dbraw/zinc/08/43/44/139084344.db2.gz CYSQMSAEVPTYQQ-FUHWJXTLSA-N 2 1 347.507 1.481 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245716968 139084345 /nfs/dbraw/zinc/08/43/45/139084345.db2.gz CYSQMSAEVPTYQQ-FUHWJXTLSA-N 2 1 347.507 1.481 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245716968 139084346 /nfs/dbraw/zinc/08/43/46/139084346.db2.gz CYSQMSAEVPTYQQ-FUHWJXTLSA-N 2 1 347.507 1.481 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245716968 139084347 /nfs/dbraw/zinc/08/43/47/139084347.db2.gz CYSQMSAEVPTYQQ-FUHWJXTLSA-N 2 1 347.507 1.481 20 0 EDADMP C[C@@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000246164401 139097285 /nfs/dbraw/zinc/09/72/85/139097285.db2.gz OVFHYGHCHUDYRK-BBWFWOEESA-N 2 1 325.497 1.866 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCC[C@H]1CCC[NH2+]C1 ZINC000246578694 139113672 /nfs/dbraw/zinc/11/36/72/139113672.db2.gz CKJKWOZTDMZWJJ-IEBWSBKVSA-N 2 1 345.487 1.783 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[C@H]1CCC[NH2+]C1 ZINC000246578694 139113673 /nfs/dbraw/zinc/11/36/73/139113673.db2.gz CKJKWOZTDMZWJJ-IEBWSBKVSA-N 2 1 345.487 1.783 20 0 EDADMP CC[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000247165785 139138398 /nfs/dbraw/zinc/13/83/98/139138398.db2.gz KLWIAEYCQHPSHN-HZPDHXFCSA-N 2 1 333.542 1.710 20 0 EDADMP CC[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000247165785 139138399 /nfs/dbraw/zinc/13/83/99/139138399.db2.gz KLWIAEYCQHPSHN-HZPDHXFCSA-N 2 1 333.542 1.710 20 0 EDADMP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC[C@@H](C)[NH3+])c2C1 ZINC000415376822 304208059 /nfs/dbraw/zinc/20/80/59/304208059.db2.gz NICRNWXICNPPBG-KGLIPLIRSA-N 2 1 346.475 1.839 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000247293552 139143734 /nfs/dbraw/zinc/14/37/34/139143734.db2.gz UGSRCLUPHMNLCF-BBWFWOEESA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000247293552 139143735 /nfs/dbraw/zinc/14/37/35/139143735.db2.gz UGSRCLUPHMNLCF-BBWFWOEESA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000247293552 139143736 /nfs/dbraw/zinc/14/37/36/139143736.db2.gz UGSRCLUPHMNLCF-BBWFWOEESA-N 2 1 340.512 1.517 20 0 EDADMP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248430297 139163380 /nfs/dbraw/zinc/16/33/80/139163380.db2.gz BPBHNYWFHBEXDM-QFBILLFUSA-N 2 1 347.503 1.990 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000248901944 139180237 /nfs/dbraw/zinc/18/02/37/139180237.db2.gz ZFKYSAOUJPAIAI-SZMVWBNQSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000248901944 139180238 /nfs/dbraw/zinc/18/02/38/139180238.db2.gz ZFKYSAOUJPAIAI-SZMVWBNQSA-N 2 1 331.460 1.534 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000568975537 306493616 /nfs/dbraw/zinc/49/36/16/306493616.db2.gz HCTMLVUGPQNUMW-OAHLLOKOSA-N 2 1 326.485 1.136 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000261622144 139212044 /nfs/dbraw/zinc/21/20/44/139212044.db2.gz GFBZPSXLBOTUIM-INIZCTEOSA-N 2 1 327.432 1.159 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261651224 139214496 /nfs/dbraw/zinc/21/44/96/139214496.db2.gz FCUCINZAYKTRPM-SFHVURJKSA-N 2 1 335.448 1.381 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261651224 139214497 /nfs/dbraw/zinc/21/44/97/139214497.db2.gz FCUCINZAYKTRPM-SFHVURJKSA-N 2 1 335.448 1.381 20 0 EDADMP Cc1ccc(O)c(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261674549 139216311 /nfs/dbraw/zinc/21/63/11/139216311.db2.gz MCOMGOCVZMJFAN-HUUCEWRRSA-N 2 1 332.448 1.176 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000261715580 139219969 /nfs/dbraw/zinc/21/99/69/139219969.db2.gz LKTHONCBNVZTSG-LBPRGKRZSA-N 2 1 334.445 1.690 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000261715580 139219970 /nfs/dbraw/zinc/21/99/70/139219970.db2.gz LKTHONCBNVZTSG-LBPRGKRZSA-N 2 1 334.445 1.690 20 0 EDADMP Fc1ccc(-c2nc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)co2)cc1 ZINC000261737626 139222077 /nfs/dbraw/zinc/22/20/77/139222077.db2.gz SKTQPJYFXJUGBK-QGZVFWFLSA-N 2 1 330.407 1.960 20 0 EDADMP Fc1ccc(-c2nc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)co2)cc1 ZINC000261737626 139222078 /nfs/dbraw/zinc/22/20/78/139222078.db2.gz SKTQPJYFXJUGBK-QGZVFWFLSA-N 2 1 330.407 1.960 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000261781427 139225567 /nfs/dbraw/zinc/22/55/67/139225567.db2.gz XZQHBGAKODKREO-CRAIPNDOSA-N 2 1 331.460 1.523 20 0 EDADMP CC1(C)CN(C(=O)C2([NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261787072 139226014 /nfs/dbraw/zinc/22/60/14/139226014.db2.gz HWMCTDYTOUEMDQ-UHFFFAOYSA-N 2 1 331.460 1.617 20 0 EDADMP CC1(C)CN(C(=O)C2([NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261787072 139226015 /nfs/dbraw/zinc/22/60/15/139226015.db2.gz HWMCTDYTOUEMDQ-UHFFFAOYSA-N 2 1 331.460 1.617 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCC(C)(C)[NH3+])cc2)C1 ZINC000415460293 304223566 /nfs/dbraw/zinc/22/35/66/304223566.db2.gz AAAGYWAVSSIBOU-AWEZNQCLSA-N 2 1 346.475 1.711 20 0 EDADMP c1ncn(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)cc2)n1 ZINC000261852116 139231449 /nfs/dbraw/zinc/23/14/49/139231449.db2.gz BGUIUCLCOWWSTE-KSZLIROESA-N 2 1 327.432 1.514 20 0 EDADMP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[NH+](CCc2cccs2)CC1 ZINC000261926578 139237676 /nfs/dbraw/zinc/23/76/76/139237676.db2.gz KEFYBILVHZARRJ-MRXNPFEDSA-N 2 1 333.501 1.825 20 0 EDADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261938540 139238625 /nfs/dbraw/zinc/23/86/25/139238625.db2.gz MPNHMNBNLBUVLK-KURKYZTESA-N 2 1 331.460 1.635 20 0 EDADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261941131 139238743 /nfs/dbraw/zinc/23/87/43/139238743.db2.gz MXIZMADAMMPCDB-RCCFBDPRSA-N 2 1 331.460 1.335 20 0 EDADMP CCN(C)c1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000262033360 139245347 /nfs/dbraw/zinc/24/53/47/139245347.db2.gz XJYMPKJYWDRILL-QGZVFWFLSA-N 2 1 345.491 1.182 20 0 EDADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262089338 139249977 /nfs/dbraw/zinc/24/99/77/139249977.db2.gz GOUGOBRZRLIXCN-KRWDZBQOSA-N 2 1 329.423 1.695 20 0 EDADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262110174 139251667 /nfs/dbraw/zinc/25/16/67/139251667.db2.gz KHNGQPNLQAMTCP-QGZVFWFLSA-N 2 1 341.459 1.565 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000262128159 139253333 /nfs/dbraw/zinc/25/33/33/139253333.db2.gz CUEMRZGXOQOIOV-CRAIPNDOSA-N 2 1 349.450 1.785 20 0 EDADMP c1cnc(Oc2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)cn1 ZINC000262129473 139253371 /nfs/dbraw/zinc/25/33/71/139253371.db2.gz NSJUDLKFHFASIN-QGZVFWFLSA-N 2 1 339.443 1.748 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262131242 139253612 /nfs/dbraw/zinc/25/36/12/139253612.db2.gz NZLUSGCYUMZJKX-MSOLQXFVSA-N 3 1 336.524 1.395 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262131242 139253613 /nfs/dbraw/zinc/25/36/13/139253613.db2.gz NZLUSGCYUMZJKX-MSOLQXFVSA-N 2 1 336.524 1.395 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262131242 139253614 /nfs/dbraw/zinc/25/36/14/139253614.db2.gz NZLUSGCYUMZJKX-MSOLQXFVSA-N 2 1 336.524 1.395 20 0 EDADMP COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)cc1OC ZINC000262224091 139261374 /nfs/dbraw/zinc/26/13/74/139261374.db2.gz UUVPQZPFHNOTTN-INIZCTEOSA-N 2 1 347.459 1.663 20 0 EDADMP [NH3+]CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(F)(F)F ZINC000416011803 251046132 /nfs/dbraw/zinc/04/61/32/251046132.db2.gz SAJNLMFQGAGVGC-OLZOCXBDSA-N 2 1 336.402 1.830 20 0 EDADMP Cc1cccc(C)c1OCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000262246301 139263242 /nfs/dbraw/zinc/26/32/42/139263242.db2.gz WNXVAKKPNSPPML-SFHVURJKSA-N 2 1 345.487 1.826 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000416877770 251116145 /nfs/dbraw/zinc/11/61/45/251116145.db2.gz WTZVFIKGSXJCBN-IRXDYDNUSA-N 2 1 334.464 1.342 20 0 EDADMP [NH3+][C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000416881632 251117623 /nfs/dbraw/zinc/11/76/23/251117623.db2.gz LYUXNMXPQUOIBP-KRWDZBQOSA-N 2 1 332.448 1.152 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000262315064 139269319 /nfs/dbraw/zinc/26/93/19/139269319.db2.gz UGUMEZZGBICYDZ-KURKYZTESA-N 2 1 344.503 1.831 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417013586 251131917 /nfs/dbraw/zinc/13/19/17/251131917.db2.gz YUCLVOWXZCEZSG-NVXWUHKLSA-N 2 1 330.476 1.814 20 0 EDADMP CC[C@@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417020159 251134104 /nfs/dbraw/zinc/13/41/04/251134104.db2.gz RRRFTIDZBWKLQH-YJBOKZPZSA-N 2 1 330.476 1.814 20 0 EDADMP CN(C(=O)NCCC[N@H+]1CCc2ccccc2C1)C1CC[NH2+]CC1 ZINC000417020460 251136229 /nfs/dbraw/zinc/13/62/29/251136229.db2.gz JBWBNOKOPSHSTK-UHFFFAOYSA-N 2 1 330.476 1.828 20 0 EDADMP COCC1(CNC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000417002639 251126963 /nfs/dbraw/zinc/12/69/63/251126963.db2.gz AUAACJOAUYQUKT-HOTGVXAUSA-N 2 1 340.512 1.422 20 0 EDADMP C[C@H]1C[NH2+]CCN1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000417090140 251140727 /nfs/dbraw/zinc/14/07/27/251140727.db2.gz UUNOCERTEFCRHQ-HNNXBMFYSA-N 2 1 330.476 1.827 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417557250 251186307 /nfs/dbraw/zinc/18/63/07/251186307.db2.gz RCZUWPURFHHLFC-DOTOQJQBSA-N 2 1 328.476 1.984 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417557250 251186313 /nfs/dbraw/zinc/18/63/13/251186313.db2.gz RCZUWPURFHHLFC-DOTOQJQBSA-N 2 1 328.476 1.984 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000417595211 251202351 /nfs/dbraw/zinc/20/23/51/251202351.db2.gz XRAORLDUTDTDKU-RDJZCZTQSA-N 2 1 334.464 1.185 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000417647082 251211878 /nfs/dbraw/zinc/21/18/78/251211878.db2.gz DYALWVGJSJHMJP-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP COCC1(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000262394293 139275922 /nfs/dbraw/zinc/27/59/22/139275922.db2.gz QASJGTQCOXFNPW-IYBDPMFKSA-N 2 1 341.496 1.008 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)[nH+]1 ZINC000417688111 251228686 /nfs/dbraw/zinc/22/86/86/251228686.db2.gz DIWTVMIKVQFWEK-GDBMZVCRSA-N 2 1 331.464 1.785 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NCC[C@@H]3CC[NH2+]C3)CC2)[nH+]1 ZINC000417687093 251230106 /nfs/dbraw/zinc/23/01/06/251230106.db2.gz BQCLVQYXCDMQRB-HNNXBMFYSA-N 2 1 331.464 1.658 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)[nH+]1 ZINC000417701831 251234044 /nfs/dbraw/zinc/23/40/44/251234044.db2.gz OGXFRDJVAFIWIK-GASCZTMLSA-N 2 1 329.448 1.220 20 0 EDADMP CCCN(C(=O)NC[C@H](C)C[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000417707655 251235632 /nfs/dbraw/zinc/23/56/32/251235632.db2.gz AZTIYUJNILSFTP-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000262444699 139279556 /nfs/dbraw/zinc/27/95/56/139279556.db2.gz VHSFVZSFBGGCFQ-ZWKOTPCHSA-N 2 1 341.459 1.461 20 0 EDADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000262444699 139279557 /nfs/dbraw/zinc/27/95/57/139279557.db2.gz VHSFVZSFBGGCFQ-ZWKOTPCHSA-N 2 1 341.459 1.461 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417793574 251272483 /nfs/dbraw/zinc/27/24/83/251272483.db2.gz LPQADTWSQRZJEW-KSZLIROESA-N 2 1 334.508 1.892 20 0 EDADMP CC[C@H](NC(=O)NCCC[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417887624 251314344 /nfs/dbraw/zinc/31/43/44/251314344.db2.gz IGQDGMKSFBRQFV-ROUUACIJSA-N 2 1 348.491 1.575 20 0 EDADMP CC[C@H](NC(=O)NCCC[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417887624 251314347 /nfs/dbraw/zinc/31/43/47/251314347.db2.gz IGQDGMKSFBRQFV-ROUUACIJSA-N 2 1 348.491 1.575 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418108807 251325291 /nfs/dbraw/zinc/32/52/91/251325291.db2.gz SDWSEUOWZAPNJJ-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000418128212 251336692 /nfs/dbraw/zinc/33/66/92/251336692.db2.gz AGJMIGFVRPQQCU-CEXWTWQISA-N 2 1 342.487 1.758 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1)[C@H](C)[NH3+] ZINC000262524849 139284261 /nfs/dbraw/zinc/28/42/61/139284261.db2.gz KGTPTQWICHJBAD-VNHYZAJKSA-N 2 1 332.448 1.306 20 0 EDADMP CCC[C@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418347672 251361909 /nfs/dbraw/zinc/36/19/09/251361909.db2.gz QTFMDPIEIXIKJI-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH2+]CC3CC3)C2)cc(OC)c1 ZINC000262624403 139290937 /nfs/dbraw/zinc/29/09/37/139290937.db2.gz ARVWNQAVZXVMLF-MRXNPFEDSA-N 2 1 347.459 1.394 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH2+]CC3CC3)C2)cc(OC)c1 ZINC000262624403 139290938 /nfs/dbraw/zinc/29/09/38/139290938.db2.gz ARVWNQAVZXVMLF-MRXNPFEDSA-N 2 1 347.459 1.394 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000262669319 139294906 /nfs/dbraw/zinc/29/49/06/139294906.db2.gz MGFZIOBIWFZTJG-QGZVFWFLSA-N 2 1 340.427 1.695 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000262669317 139294979 /nfs/dbraw/zinc/29/49/79/139294979.db2.gz MGFZIOBIWFZTJG-KRWDZBQOSA-N 2 1 340.427 1.695 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)cc1 ZINC000422892676 252013589 /nfs/dbraw/zinc/01/35/89/252013589.db2.gz ZEFJLWSSTDIQNS-KBXCAEBGSA-N 2 1 331.460 1.966 20 0 EDADMP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000422896761 252015215 /nfs/dbraw/zinc/01/52/15/252015215.db2.gz AXJMIQYOOULAQS-MBOZVWFJSA-N 2 1 347.503 1.764 20 0 EDADMP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000422896761 252015219 /nfs/dbraw/zinc/01/52/19/252015219.db2.gz AXJMIQYOOULAQS-MBOZVWFJSA-N 2 1 347.503 1.764 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423176325 252042381 /nfs/dbraw/zinc/04/23/81/252042381.db2.gz GRGSQMZVFCMHJC-UYAOXDASSA-N 3 1 330.520 1.782 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423176325 252042387 /nfs/dbraw/zinc/04/23/87/252042387.db2.gz GRGSQMZVFCMHJC-UYAOXDASSA-N 3 1 330.520 1.782 20 0 EDADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000423357780 252052409 /nfs/dbraw/zinc/05/24/09/252052409.db2.gz ARPYCFRHSDKZDV-UHFFFAOYSA-N 2 1 344.459 1.532 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423784252 252072114 /nfs/dbraw/zinc/07/21/14/252072114.db2.gz LXCPTIKSTFWCGD-GOEBONIOSA-N 2 1 333.432 1.172 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424024318 252117541 /nfs/dbraw/zinc/11/75/41/252117541.db2.gz XDFCMZYCKHTDIQ-WMZOPIPTSA-N 2 1 344.503 1.484 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423789467 252074336 /nfs/dbraw/zinc/07/43/36/252074336.db2.gz FDQFOZKRUGGZEO-ALOPSCKCSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424136356 252137567 /nfs/dbraw/zinc/13/75/67/252137567.db2.gz AKEMSPQAQZXUFL-CVEARBPZSA-N 2 1 345.491 1.681 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000424464588 252238999 /nfs/dbraw/zinc/23/89/99/252238999.db2.gz ITLLZMJPKGCHMN-XJKSGUPXSA-N 2 1 332.448 1.333 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425899666 252313099 /nfs/dbraw/zinc/31/30/99/252313099.db2.gz LPUOLLPXXNWITI-UHFFFAOYSA-N 3 1 349.523 1.505 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000458370429 285022983 /nfs/dbraw/zinc/02/29/83/285022983.db2.gz PFHNWPYANGXLNH-SJLPKXTDSA-N 2 1 338.496 1.225 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458370429 285022987 /nfs/dbraw/zinc/02/29/87/285022987.db2.gz PFHNWPYANGXLNH-SJLPKXTDSA-N 2 1 338.496 1.225 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000458370429 285022991 /nfs/dbraw/zinc/02/29/91/285022991.db2.gz PFHNWPYANGXLNH-SJLPKXTDSA-N 2 1 338.496 1.225 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C[C@@H]1C ZINC000344004468 285042465 /nfs/dbraw/zinc/04/24/65/285042465.db2.gz ZOPZBXJKCBINBS-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C[C@@H]1C ZINC000344004468 285042466 /nfs/dbraw/zinc/04/24/66/285042466.db2.gz ZOPZBXJKCBINBS-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC(C)(C)C2)C1 ZINC000112701950 220378387 /nfs/dbraw/zinc/37/83/87/220378387.db2.gz JBDSJMDUYKGIKW-INIZCTEOSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC(C)(C)C2)C1 ZINC000112701950 220378391 /nfs/dbraw/zinc/37/83/91/220378391.db2.gz JBDSJMDUYKGIKW-INIZCTEOSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC(C)(C)C2)C1 ZINC000112701950 220378392 /nfs/dbraw/zinc/37/83/92/220378392.db2.gz JBDSJMDUYKGIKW-INIZCTEOSA-N 2 1 325.497 1.581 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415707544 304260355 /nfs/dbraw/zinc/26/03/55/304260355.db2.gz WKHTVJHBMLJEPV-CABCVRRESA-N 2 1 346.475 1.581 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073217068 285204235 /nfs/dbraw/zinc/20/42/35/285204235.db2.gz UHNONSVLGFUGEI-HNNXBMFYSA-N 2 1 326.485 1.271 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487574957 255033096 /nfs/dbraw/zinc/03/30/96/255033096.db2.gz PUZOXVFOGXNDPC-DLBZAZTESA-N 2 1 340.512 1.395 20 0 EDADMP CC(C)[C@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000490289594 255083348 /nfs/dbraw/zinc/08/33/48/255083348.db2.gz GJQUAMRZBXRHJC-QGZVFWFLSA-N 2 1 345.491 1.246 20 0 EDADMP CC(C)[C@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000490289594 255083350 /nfs/dbraw/zinc/08/33/50/255083350.db2.gz GJQUAMRZBXRHJC-QGZVFWFLSA-N 2 1 345.491 1.246 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000490623098 255096050 /nfs/dbraw/zinc/09/60/50/255096050.db2.gz DSZUVQQFLADOCB-QGZVFWFLSA-N 2 1 337.489 1.465 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)/C=C\C[NH+](C)C)CC1 ZINC000491848817 255152171 /nfs/dbraw/zinc/15/21/71/255152171.db2.gz UGZRPGKSDDMLRB-YFHOEESVSA-N 2 1 344.503 1.558 20 0 EDADMP CN(C[C@@H](O)C[N@H+](C)CCC[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000496193877 255362634 /nfs/dbraw/zinc/36/26/34/255362634.db2.gz DYMDNLYVQGAFCM-HNNXBMFYSA-N 2 1 329.485 1.632 20 0 EDADMP CN(C[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000496193877 255362635 /nfs/dbraw/zinc/36/26/35/255362635.db2.gz DYMDNLYVQGAFCM-HNNXBMFYSA-N 2 1 329.485 1.632 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000496236685 255368414 /nfs/dbraw/zinc/36/84/14/255368414.db2.gz XDYZBFATUBXTSN-KRWDZBQOSA-N 2 1 329.485 1.678 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000496236685 255368415 /nfs/dbraw/zinc/36/84/15/255368415.db2.gz XDYZBFATUBXTSN-KRWDZBQOSA-N 2 1 329.485 1.678 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118116614 221122027 /nfs/dbraw/zinc/12/20/27/221122027.db2.gz GSYBEAVXDFQUPH-OAHLLOKOSA-N 2 1 348.491 1.576 20 0 EDADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C2)CC1 ZINC000360137163 285333593 /nfs/dbraw/zinc/33/35/93/285333593.db2.gz RYULSCMFVKRWMT-DLBZAZTESA-N 2 1 339.528 1.137 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000415923987 304285455 /nfs/dbraw/zinc/28/54/55/304285455.db2.gz VZDOTXFPBPTHSI-KRWDZBQOSA-N 2 1 346.475 1.982 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000416179537 304293248 /nfs/dbraw/zinc/29/32/48/304293248.db2.gz PZMIZGZCVCEDNE-IBGZPJMESA-N 2 1 345.487 1.398 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000271145514 140245956 /nfs/dbraw/zinc/24/59/56/140245956.db2.gz TURLXYMJNUCZMZ-HKUYNNGSSA-N 2 1 345.487 1.736 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416303569 304307244 /nfs/dbraw/zinc/30/72/44/304307244.db2.gz YAGGQDOPTOXVBS-IAGOWNOFSA-N 2 1 327.513 1.802 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)nc(C)[nH+]1 ZINC000332089846 141121099 /nfs/dbraw/zinc/12/10/99/141121099.db2.gz UUKQZOGVEPVLHZ-GDBMZVCRSA-N 2 1 346.479 1.631 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000332101503 141123239 /nfs/dbraw/zinc/12/32/39/141123239.db2.gz FBBORQRUODNBOW-HOTGVXAUSA-N 2 1 333.480 1.819 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000332101503 141123240 /nfs/dbraw/zinc/12/32/40/141123240.db2.gz FBBORQRUODNBOW-HOTGVXAUSA-N 2 1 333.480 1.819 20 0 EDADMP C[C@@H](NC(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1cccs1 ZINC000333828617 141389407 /nfs/dbraw/zinc/38/94/07/141389407.db2.gz JANCRCBUCWBPEZ-KFWWJZLASA-N 2 1 349.500 1.626 20 0 EDADMP Cc1ccc(NC(=O)C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(C)c1 ZINC000333877087 141399920 /nfs/dbraw/zinc/39/99/20/141399920.db2.gz TUECWEJZSJCENN-AEFFLSMTSA-N 2 1 343.471 1.942 20 0 EDADMP CC(C)C[C@@H]1C(=O)NCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000339275305 142000414 /nfs/dbraw/zinc/00/04/14/142000414.db2.gz ZMLXWLDKMORRMB-GOSISDBHSA-N 2 1 338.540 1.639 20 0 EDADMP O=C([C@H]1CCC[N@@H+](CCCCOc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000339408775 142040071 /nfs/dbraw/zinc/04/00/71/142040071.db2.gz VLKFBHGPANQXQR-SFHVURJKSA-N 2 1 345.487 1.989 20 0 EDADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000345069459 143046555 /nfs/dbraw/zinc/04/65/55/143046555.db2.gz RJKPXZIWRSDELO-JFIYKMOQSA-N 2 1 333.501 1.985 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000345069459 143046556 /nfs/dbraw/zinc/04/65/56/143046556.db2.gz RJKPXZIWRSDELO-JFIYKMOQSA-N 2 1 333.501 1.985 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000345069459 143046557 /nfs/dbraw/zinc/04/65/57/143046557.db2.gz RJKPXZIWRSDELO-JFIYKMOQSA-N 2 1 333.501 1.985 20 0 EDADMP C[C@@H]1[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCC[N@@H+]1C ZINC000345289691 143073775 /nfs/dbraw/zinc/07/37/75/143073775.db2.gz KPXQCKOIJUYKGP-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@@H]1[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCC[N@H+]1C ZINC000345289691 143073776 /nfs/dbraw/zinc/07/37/76/143073776.db2.gz KPXQCKOIJUYKGP-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]([NH3+])CC(F)F)c1 ZINC000345706470 143123698 /nfs/dbraw/zinc/12/36/98/143123698.db2.gz HFPNLQFVRPVRJF-STQMWFEESA-N 2 1 340.374 1.057 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]([NH3+])CC(F)F)c1 ZINC000345706470 143123699 /nfs/dbraw/zinc/12/36/99/143123699.db2.gz HFPNLQFVRPVRJF-STQMWFEESA-N 2 1 340.374 1.057 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCN2CCSCC2)[C@@H](C)C1 ZINC000346620965 143222922 /nfs/dbraw/zinc/22/29/22/143222922.db2.gz RVAYAVPRDOIWKM-DLBZAZTESA-N 2 1 329.554 1.762 20 0 EDADMP COc1cc2c(c(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)c1)O[C@@H](C)C2 ZINC000347142644 143287080 /nfs/dbraw/zinc/28/70/80/143287080.db2.gz WYHKZDBJGXVGSE-UONOGXRCSA-N 2 1 347.459 1.306 20 0 EDADMP CC[N@H+]1CC[C@H](NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000347414215 143318301 /nfs/dbraw/zinc/31/83/01/143318301.db2.gz FJQUPEMDWQLJDK-IHPCNDPISA-N 2 1 331.504 1.943 20 0 EDADMP CC[NH+]1CC[C@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000347414215 143318302 /nfs/dbraw/zinc/31/83/02/143318302.db2.gz FJQUPEMDWQLJDK-IHPCNDPISA-N 2 1 331.504 1.943 20 0 EDADMP CC[NH+]1CC[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000347414215 143318303 /nfs/dbraw/zinc/31/83/03/143318303.db2.gz FJQUPEMDWQLJDK-IHPCNDPISA-N 2 1 331.504 1.943 20 0 EDADMP CCC[N@H+](C)CC(=O)NC[C@@H]1OCC[NH+](CC)[C@@H]1c1ccccc1 ZINC000347450632 143322899 /nfs/dbraw/zinc/32/28/99/143322899.db2.gz ONBBWFXYWBBWPR-PKOBYXMFSA-N 2 1 333.476 1.906 20 0 EDADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1OCC[NH+](CC)[C@@H]1c1ccccc1 ZINC000347450632 143322900 /nfs/dbraw/zinc/32/29/00/143322900.db2.gz ONBBWFXYWBBWPR-PKOBYXMFSA-N 2 1 333.476 1.906 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@@H]1OCC[N@H+](CC)[C@@H]1c1ccccc1 ZINC000347450632 143322901 /nfs/dbraw/zinc/32/29/01/143322901.db2.gz ONBBWFXYWBBWPR-PKOBYXMFSA-N 2 1 333.476 1.906 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@@H]1OCC[N@@H+](CC)[C@@H]1c1ccccc1 ZINC000347450632 143322902 /nfs/dbraw/zinc/32/29/02/143322902.db2.gz ONBBWFXYWBBWPR-PKOBYXMFSA-N 2 1 333.476 1.906 20 0 EDADMP CC[C@H](C(=O)NC[C@H]1OCC[N@H+](CC)[C@@H]1c1ccccc1)[NH+](C)C ZINC000347492775 143328398 /nfs/dbraw/zinc/32/83/98/143328398.db2.gz VQWMBXIEBSTDCE-KZNAEPCWSA-N 2 1 333.476 1.905 20 0 EDADMP CC[C@H](C(=O)NC[C@H]1OCC[N@@H+](CC)[C@@H]1c1ccccc1)[NH+](C)C ZINC000347492775 143328399 /nfs/dbraw/zinc/32/83/99/143328399.db2.gz VQWMBXIEBSTDCE-KZNAEPCWSA-N 2 1 333.476 1.905 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000347825958 143367725 /nfs/dbraw/zinc/36/77/25/143367725.db2.gz NAIKVUAOKQSNIZ-YOEHRIQHSA-N 2 1 334.464 1.355 20 0 EDADMP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000572583852 306593519 /nfs/dbraw/zinc/59/35/19/306593519.db2.gz UIQRLVDZCDYEII-HNNXBMFYSA-N 2 1 344.415 1.316 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N(C)[C@@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000572855400 306601507 /nfs/dbraw/zinc/60/15/07/306601507.db2.gz QTBCEJOJNBQKLC-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000369880607 155216308 /nfs/dbraw/zinc/21/63/08/155216308.db2.gz BRRDSVFJIHVPLO-DZGCQCFKSA-N 2 1 348.472 1.799 20 0 EDADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1CCSCC1 ZINC000352681406 149114881 /nfs/dbraw/zinc/11/48/81/149114881.db2.gz YNJRKWMMAOIWAT-GJZGRUSLSA-N 2 1 328.526 1.455 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1CCSCC1 ZINC000352681406 149114884 /nfs/dbraw/zinc/11/48/84/149114884.db2.gz YNJRKWMMAOIWAT-GJZGRUSLSA-N 2 1 328.526 1.455 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000352751248 149149896 /nfs/dbraw/zinc/14/98/96/149149896.db2.gz HKDBCZUYKKSZCT-JLSDUUJJSA-N 2 1 338.879 1.803 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000352751248 149149899 /nfs/dbraw/zinc/14/98/99/149149899.db2.gz HKDBCZUYKKSZCT-JLSDUUJJSA-N 2 1 338.879 1.803 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000352751248 149149901 /nfs/dbraw/zinc/14/99/01/149149901.db2.gz HKDBCZUYKKSZCT-JLSDUUJJSA-N 2 1 338.879 1.803 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000352751248 149149904 /nfs/dbraw/zinc/14/99/04/149149904.db2.gz HKDBCZUYKKSZCT-JLSDUUJJSA-N 2 1 338.879 1.803 20 0 EDADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(F)cn1 ZINC000352784371 149164730 /nfs/dbraw/zinc/16/47/30/149164730.db2.gz TVRARBGVZDDZIY-KRWDZBQOSA-N 2 1 338.471 1.652 20 0 EDADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc3c(c2)oc(=O)n3C)CCCO1 ZINC000353200492 149321785 /nfs/dbraw/zinc/32/17/85/149321785.db2.gz CBLUYTZNSMGAPW-AWEZNQCLSA-N 2 1 333.432 1.722 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)oc(=O)n3C)CCCO1 ZINC000353200492 149321787 /nfs/dbraw/zinc/32/17/87/149321787.db2.gz CBLUYTZNSMGAPW-AWEZNQCLSA-N 2 1 333.432 1.722 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000353240835 149336157 /nfs/dbraw/zinc/33/61/57/149336157.db2.gz UXCDILIQLXOLQU-HNNXBMFYSA-N 2 1 328.501 1.251 20 0 EDADMP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCSCC2)C1 ZINC000353394440 149390512 /nfs/dbraw/zinc/39/05/12/149390512.db2.gz FIQNFUPSDJGTFU-CABCVRRESA-N 2 1 326.510 1.161 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCSCC2)C1 ZINC000353394440 149390515 /nfs/dbraw/zinc/39/05/15/149390515.db2.gz FIQNFUPSDJGTFU-CABCVRRESA-N 2 1 326.510 1.161 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000355082499 150107999 /nfs/dbraw/zinc/10/79/99/150107999.db2.gz MQWAFJWTQOLTFJ-PBHICJAKSA-N 2 1 334.464 1.003 20 0 EDADMP C[NH+]1CCC(C)(CNC(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)CC1 ZINC000369989301 155268590 /nfs/dbraw/zinc/26/85/90/155268590.db2.gz YLJQOWLSKGLLPZ-CVEARBPZSA-N 2 1 338.496 1.271 20 0 EDADMP C[NH+]1CCC(C)(CNC(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)CC1 ZINC000369989301 155268596 /nfs/dbraw/zinc/26/85/96/155268596.db2.gz YLJQOWLSKGLLPZ-CVEARBPZSA-N 2 1 338.496 1.271 20 0 EDADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417030987 304362817 /nfs/dbraw/zinc/36/28/17/304362817.db2.gz PXPYWTDNWOEZLA-CRAIPNDOSA-N 2 1 330.476 1.861 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCCCC2)C1 ZINC000355730769 150378450 /nfs/dbraw/zinc/37/84/50/150378450.db2.gz GPLAVQLTXMBULH-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417038064 304364296 /nfs/dbraw/zinc/36/42/96/304364296.db2.gz UJOKFCUYJFSDHH-JKSUJKDBSA-N 2 1 330.476 1.827 20 0 EDADMP CCC[NH2+]CCNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417039317 304364663 /nfs/dbraw/zinc/36/46/63/304364663.db2.gz KDWYXIBSUNNRJT-KRWDZBQOSA-N 2 1 347.507 1.496 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000417045108 304365952 /nfs/dbraw/zinc/36/59/52/304365952.db2.gz YVQLGWXWUSVWMZ-MJBXVCDLSA-N 2 1 332.439 1.651 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000357820598 151161673 /nfs/dbraw/zinc/16/16/73/151161673.db2.gz TZKVUQTYCHWLNV-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+](C)C ZINC000357866127 151177763 /nfs/dbraw/zinc/17/77/63/151177763.db2.gz IEIODQGVWQQYIU-HRCADAONSA-N 2 1 333.476 1.976 20 0 EDADMP C[C@@H](CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+](C)C ZINC000357866127 151177767 /nfs/dbraw/zinc/17/77/67/151177767.db2.gz IEIODQGVWQQYIU-HRCADAONSA-N 2 1 333.476 1.976 20 0 EDADMP CSC1(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC[NH+](C)CC1 ZINC000357873447 151179910 /nfs/dbraw/zinc/17/99/10/151179910.db2.gz UEKDIMYNHHUAKL-LSDHHAIUSA-N 2 1 342.553 1.842 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358043907 151245424 /nfs/dbraw/zinc/24/54/24/151245424.db2.gz XBHHUVSRGXLCAL-CRAIPNDOSA-N 3 1 332.492 1.408 20 0 EDADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358043907 151245427 /nfs/dbraw/zinc/24/54/27/151245427.db2.gz XBHHUVSRGXLCAL-CRAIPNDOSA-N 2 1 332.492 1.408 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000358059094 151251663 /nfs/dbraw/zinc/25/16/63/151251663.db2.gz DCZJBHWUIFYMMC-QFBILLFUSA-N 2 1 349.450 1.221 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000358059094 151251664 /nfs/dbraw/zinc/25/16/64/151251664.db2.gz DCZJBHWUIFYMMC-QFBILLFUSA-N 2 1 349.450 1.221 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000358059094 151251665 /nfs/dbraw/zinc/25/16/65/151251665.db2.gz DCZJBHWUIFYMMC-QFBILLFUSA-N 2 1 349.450 1.221 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@@H]1CN1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000358082728 151264769 /nfs/dbraw/zinc/26/47/69/151264769.db2.gz WZXJNWKARDZNCY-DOTOQJQBSA-N 2 1 336.480 1.143 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000358132696 151283256 /nfs/dbraw/zinc/28/32/56/151283256.db2.gz ODOALTBNAMQAQL-CVEARBPZSA-N 2 1 340.512 1.166 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000358132696 151283257 /nfs/dbraw/zinc/28/32/57/151283257.db2.gz ODOALTBNAMQAQL-CVEARBPZSA-N 2 1 340.512 1.166 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000358132696 151283258 /nfs/dbraw/zinc/28/32/58/151283258.db2.gz ODOALTBNAMQAQL-CVEARBPZSA-N 2 1 340.512 1.166 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000358313501 151334037 /nfs/dbraw/zinc/33/40/37/151334037.db2.gz VCCKLFIRRNLQGF-INIZCTEOSA-N 2 1 349.523 1.869 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000358313501 151334040 /nfs/dbraw/zinc/33/40/40/151334040.db2.gz VCCKLFIRRNLQGF-INIZCTEOSA-N 2 1 349.523 1.869 20 0 EDADMP COc1ccc(C[N@@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2nccn2C)cn1 ZINC000360760675 152191291 /nfs/dbraw/zinc/19/12/91/152191291.db2.gz CXFPBGBEFWALOJ-CVEARBPZSA-N 2 1 347.438 1.868 20 0 EDADMP COc1ccc(CN(C)C[C@@H]2C[C@@H](F)CN2Cc2nccn2C)cn1 ZINC000360760675 152191295 /nfs/dbraw/zinc/19/12/95/152191295.db2.gz CXFPBGBEFWALOJ-CVEARBPZSA-N 2 1 347.438 1.868 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000360785101 152203590 /nfs/dbraw/zinc/20/35/90/152203590.db2.gz GEWZLUMIDVZYLR-INIZCTEOSA-N 2 1 342.528 1.595 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000360785101 152203594 /nfs/dbraw/zinc/20/35/94/152203594.db2.gz GEWZLUMIDVZYLR-INIZCTEOSA-N 2 1 342.528 1.595 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000360785101 152203596 /nfs/dbraw/zinc/20/35/96/152203596.db2.gz GEWZLUMIDVZYLR-INIZCTEOSA-N 2 1 342.528 1.595 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000360795686 152208864 /nfs/dbraw/zinc/20/88/64/152208864.db2.gz FDUMBIYUXOJJOK-INIZCTEOSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000360795686 152208865 /nfs/dbraw/zinc/20/88/65/152208865.db2.gz FDUMBIYUXOJJOK-INIZCTEOSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000360795686 152208866 /nfs/dbraw/zinc/20/88/66/152208866.db2.gz FDUMBIYUXOJJOK-INIZCTEOSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000360795686 152208869 /nfs/dbraw/zinc/20/88/69/152208869.db2.gz FDUMBIYUXOJJOK-INIZCTEOSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000360795686 152208870 /nfs/dbraw/zinc/20/88/70/152208870.db2.gz FDUMBIYUXOJJOK-INIZCTEOSA-N 2 1 342.528 1.859 20 0 EDADMP CN(C)c1nc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc[nH+]1 ZINC000361006874 152276470 /nfs/dbraw/zinc/27/64/70/152276470.db2.gz MPIHLNNVELWYIS-MRXNPFEDSA-N 2 1 326.448 1.896 20 0 EDADMP CN(C)c1nc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc[nH+]1 ZINC000361006874 152276472 /nfs/dbraw/zinc/27/64/72/152276472.db2.gz MPIHLNNVELWYIS-MRXNPFEDSA-N 2 1 326.448 1.896 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000363683798 153028295 /nfs/dbraw/zinc/02/82/95/153028295.db2.gz UFYZILINSCRPKE-IXDOHACOSA-N 2 1 336.480 1.119 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417185572 304382054 /nfs/dbraw/zinc/38/20/54/304382054.db2.gz RPWKMERUTRYGCW-INIZCTEOSA-N 2 1 346.475 1.318 20 0 EDADMP CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)NCc2nccn2C)C1 ZINC000363751876 153046680 /nfs/dbraw/zinc/04/66/80/153046680.db2.gz ALSGLNOQXSQOMK-UHFFFAOYSA-N 2 1 341.415 1.053 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3[C@@H]4CC[C@H]3C[C@@H]([NH3+])C4)cc2)CC1 ZINC000363768868 153050813 /nfs/dbraw/zinc/05/08/13/153050813.db2.gz OBVDVEPSKWNCCY-REPLKXPHSA-N 2 1 342.487 1.528 20 0 EDADMP c1ccc(CCC[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)cc1 ZINC000364329963 153207088 /nfs/dbraw/zinc/20/70/88/153207088.db2.gz TZOPZVGLBCBOKP-UHFFFAOYSA-N 2 1 331.504 1.959 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1C ZINC000364601344 153284530 /nfs/dbraw/zinc/28/45/30/153284530.db2.gz GUGPWYZVNFJNKR-OAHLLOKOSA-N 2 1 345.447 1.612 20 0 EDADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NC3CC3)C2)c1 ZINC000364730067 153316104 /nfs/dbraw/zinc/31/61/04/153316104.db2.gz ZRFLHSHFIUGYPW-ZIAGYGMSSA-N 2 1 345.447 1.501 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000364787802 153334176 /nfs/dbraw/zinc/33/41/76/153334176.db2.gz IDPLJLLSQNNJCZ-CABCVRRESA-N 2 1 333.480 1.775 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000364787802 153334178 /nfs/dbraw/zinc/33/41/78/153334178.db2.gz IDPLJLLSQNNJCZ-CABCVRRESA-N 2 1 333.480 1.775 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000364787802 153334182 /nfs/dbraw/zinc/33/41/82/153334182.db2.gz IDPLJLLSQNNJCZ-CABCVRRESA-N 2 1 333.480 1.775 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000364787802 153334184 /nfs/dbraw/zinc/33/41/84/153334184.db2.gz IDPLJLLSQNNJCZ-CABCVRRESA-N 2 1 333.480 1.775 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000364787802 153334186 /nfs/dbraw/zinc/33/41/86/153334186.db2.gz IDPLJLLSQNNJCZ-CABCVRRESA-N 2 1 333.480 1.775 20 0 EDADMP C[NH+](C)C[C@@H]1CCCCN1C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000364875069 153357969 /nfs/dbraw/zinc/35/79/69/153357969.db2.gz BJOWPLLFZZZQIC-INIZCTEOSA-N 2 1 347.507 1.668 20 0 EDADMP C[NH+](C)C[C@@H]1CCCCN1C(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000364875069 153357970 /nfs/dbraw/zinc/35/79/70/153357970.db2.gz BJOWPLLFZZZQIC-INIZCTEOSA-N 2 1 347.507 1.668 20 0 EDADMP COC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000367533160 154163812 /nfs/dbraw/zinc/16/38/12/154163812.db2.gz ILIURRLOUBICJT-CWRNSKLLSA-N 2 1 339.867 1.813 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCC(=O)NC3CCCC3)C2)CC1 ZINC000367622613 154202079 /nfs/dbraw/zinc/20/20/79/154202079.db2.gz JIXBRQGICUQYAJ-KRWDZBQOSA-N 2 1 336.524 1.395 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)CN1CCn2ccnc2C1 ZINC000367706159 154237428 /nfs/dbraw/zinc/23/74/28/154237428.db2.gz QOCFCNLQNIFPTR-HNNXBMFYSA-N 2 1 333.480 1.325 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000367706159 154237431 /nfs/dbraw/zinc/23/74/31/154237431.db2.gz QOCFCNLQNIFPTR-HNNXBMFYSA-N 2 1 333.480 1.325 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000367706159 154237434 /nfs/dbraw/zinc/23/74/34/154237434.db2.gz QOCFCNLQNIFPTR-HNNXBMFYSA-N 2 1 333.480 1.325 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000367706159 154237435 /nfs/dbraw/zinc/23/74/35/154237435.db2.gz QOCFCNLQNIFPTR-HNNXBMFYSA-N 2 1 333.480 1.325 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C(=O)OC)n(C)c3)C2)CC1 ZINC000368024434 154374331 /nfs/dbraw/zinc/37/43/31/154374331.db2.gz UKLSZKAJMSAFPC-MRXNPFEDSA-N 2 1 334.464 1.024 20 0 EDADMP COCCn1cc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000368052495 154386586 /nfs/dbraw/zinc/38/65/86/154386586.db2.gz WHZAEYYFBDAWQJ-SFHVURJKSA-N 2 1 335.496 1.130 20 0 EDADMP COCCn1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000368052495 154386591 /nfs/dbraw/zinc/38/65/91/154386591.db2.gz WHZAEYYFBDAWQJ-SFHVURJKSA-N 2 1 335.496 1.130 20 0 EDADMP COCCn1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000368052495 154386593 /nfs/dbraw/zinc/38/65/93/154386593.db2.gz WHZAEYYFBDAWQJ-SFHVURJKSA-N 2 1 335.496 1.130 20 0 EDADMP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)c1ccnc(-n2ccnc2)c1 ZINC000369501242 155061517 /nfs/dbraw/zinc/06/15/17/155061517.db2.gz RPMLEMWKFDXLBC-AWEZNQCLSA-N 2 1 336.399 1.798 20 0 EDADMP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)NCCC[NH+]1CCCCC1 ZINC000369527489 155071974 /nfs/dbraw/zinc/07/19/74/155071974.db2.gz MFDINQJHDHCOIF-INIZCTEOSA-N 2 1 333.480 1.963 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000372004364 156204678 /nfs/dbraw/zinc/20/46/78/156204678.db2.gz PUWNYHPOUJCDGL-GVDBMIGSSA-N 2 1 340.512 1.659 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000372004364 156204681 /nfs/dbraw/zinc/20/46/81/156204681.db2.gz PUWNYHPOUJCDGL-GVDBMIGSSA-N 2 1 340.512 1.659 20 0 EDADMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843776 157029902 /nfs/dbraw/zinc/02/99/02/157029902.db2.gz HHEDNTKKZMHFLD-SLFFLAALSA-N 2 1 344.503 1.699 20 0 EDADMP COCCCNC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374299174 157229981 /nfs/dbraw/zinc/22/99/81/157229981.db2.gz YBMZYPXBAOXDKB-HOTGVXAUSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccccc3[C@H]2C(N)=O)CC1 ZINC000374320896 157242805 /nfs/dbraw/zinc/24/28/05/157242805.db2.gz NRYUHJOTBPNITR-IBGZPJMESA-N 2 1 344.503 1.487 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3ccccc3[C@H]2C(N)=O)CC1 ZINC000374320896 157242808 /nfs/dbraw/zinc/24/28/08/157242808.db2.gz NRYUHJOTBPNITR-IBGZPJMESA-N 2 1 344.503 1.487 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)O[C@@]3(CCO[C@@H]3C)C2)CC1 ZINC000376610918 157804890 /nfs/dbraw/zinc/80/48/90/157804890.db2.gz OOHNWSUUXNIYKA-QRVBRYPASA-N 2 1 339.524 1.671 20 0 EDADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000378008963 158054516 /nfs/dbraw/zinc/05/45/16/158054516.db2.gz WYMKLLPPJIXUQC-YJBOKZPZSA-N 2 1 342.503 1.341 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000378008963 158054518 /nfs/dbraw/zinc/05/45/18/158054518.db2.gz WYMKLLPPJIXUQC-YJBOKZPZSA-N 2 1 342.503 1.341 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000378008963 158054519 /nfs/dbraw/zinc/05/45/19/158054519.db2.gz WYMKLLPPJIXUQC-YJBOKZPZSA-N 2 1 342.503 1.341 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)C1 ZINC000378189650 158104343 /nfs/dbraw/zinc/10/43/43/158104343.db2.gz YTQGOEWRLQCDSE-YZVOILCLSA-N 2 1 331.460 1.812 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000378413720 158166999 /nfs/dbraw/zinc/16/69/99/158166999.db2.gz GWBXTGPPZUBRIT-QGZVFWFLSA-N 2 1 348.491 1.691 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000378413720 158167002 /nfs/dbraw/zinc/16/70/02/158167002.db2.gz GWBXTGPPZUBRIT-QGZVFWFLSA-N 2 1 348.491 1.691 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000352208398 162050033 /nfs/dbraw/zinc/05/00/33/162050033.db2.gz NGOHWHSKOCREEV-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000352242361 162068562 /nfs/dbraw/zinc/06/85/62/162068562.db2.gz UHKOFSOEAXZBGM-CVEARBPZSA-N 2 1 345.553 1.901 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000352256682 162077498 /nfs/dbraw/zinc/07/74/98/162077498.db2.gz MCGCSKOJUUCOTN-INIZCTEOSA-N 2 1 331.526 1.322 20 0 EDADMP CCOC(=O)[C@](C)(O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352422836 162175025 /nfs/dbraw/zinc/17/50/25/162175025.db2.gz KXRPKZWRQMOTOD-CMKODMSKSA-N 2 1 346.471 1.754 20 0 EDADMP CCOC(=O)[C@](C)(O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352422836 162175026 /nfs/dbraw/zinc/17/50/26/162175026.db2.gz KXRPKZWRQMOTOD-CMKODMSKSA-N 2 1 346.471 1.754 20 0 EDADMP CCOC(=O)[C@](C)(O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352422836 162175027 /nfs/dbraw/zinc/17/50/27/162175027.db2.gz KXRPKZWRQMOTOD-CMKODMSKSA-N 2 1 346.471 1.754 20 0 EDADMP COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000364229294 162322341 /nfs/dbraw/zinc/32/23/41/162322341.db2.gz GSBQILJMYKBNAO-MRXNPFEDSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000364229294 162322345 /nfs/dbraw/zinc/32/23/45/162322345.db2.gz GSBQILJMYKBNAO-MRXNPFEDSA-N 2 1 346.475 1.663 20 0 EDADMP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)CN1CC[NH+](C)CC1 ZINC000073641407 287262231 /nfs/dbraw/zinc/26/22/31/287262231.db2.gz QYILLTKXXPRZDQ-INIZCTEOSA-N 2 1 332.492 1.362 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)NCCC[NH2+]C1CC1 ZINC000418291151 304475383 /nfs/dbraw/zinc/47/53/83/304475383.db2.gz VAYZBNKOFBNKPH-MRXNPFEDSA-N 2 1 332.448 1.493 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000188556964 272958137 /nfs/dbraw/zinc/95/81/37/272958137.db2.gz IKAXAHLXVYOJDS-MRXNPFEDSA-N 2 1 328.501 1.326 20 0 EDADMP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000194139359 273000618 /nfs/dbraw/zinc/00/06/18/273000618.db2.gz DGYBVSLBAUTMCT-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000194139359 273000619 /nfs/dbraw/zinc/00/06/19/273000619.db2.gz DGYBVSLBAUTMCT-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000265800207 273018959 /nfs/dbraw/zinc/01/89/59/273018959.db2.gz KCWCZXKPYJPFKG-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP CC[N@H+]1CCCN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000265800207 273018960 /nfs/dbraw/zinc/01/89/60/273018960.db2.gz KCWCZXKPYJPFKG-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP CC[NH+]1CCCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265800207 273018961 /nfs/dbraw/zinc/01/89/61/273018961.db2.gz KCWCZXKPYJPFKG-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP CC[NH+]1CCCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265800207 273018962 /nfs/dbraw/zinc/01/89/62/273018962.db2.gz KCWCZXKPYJPFKG-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000273362865 268035973 /nfs/dbraw/zinc/03/59/73/268035973.db2.gz WIHZYPCJZXZEJR-HKUYNNGSSA-N 2 1 344.503 1.355 20 0 EDADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000273362865 268035974 /nfs/dbraw/zinc/03/59/74/268035974.db2.gz WIHZYPCJZXZEJR-HKUYNNGSSA-N 2 1 344.503 1.355 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273033661 273025031 /nfs/dbraw/zinc/02/50/31/273025031.db2.gz FADMLEQVZKSJEB-FUHWJXTLSA-N 2 1 331.460 1.345 20 0 EDADMP CCCNC(=O)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274811641 268212361 /nfs/dbraw/zinc/21/23/61/268212361.db2.gz IAUYNADJZAKMHJ-WBVHZDCISA-N 2 1 346.475 1.722 20 0 EDADMP CCCNC(=O)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274811641 268212362 /nfs/dbraw/zinc/21/23/62/268212362.db2.gz IAUYNADJZAKMHJ-WBVHZDCISA-N 2 1 346.475 1.722 20 0 EDADMP C[C@@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000275661777 268368901 /nfs/dbraw/zinc/36/89/01/268368901.db2.gz OESNEBNHWUWIBZ-INIZCTEOSA-N 2 1 348.491 1.881 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[NH+](C)CC1 ZINC000274189607 273076117 /nfs/dbraw/zinc/07/61/17/273076117.db2.gz HRSAZMJEDMPDHW-WMZOPIPTSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[N@H+](C)CC1 ZINC000274189607 273076118 /nfs/dbraw/zinc/07/61/18/273076118.db2.gz HRSAZMJEDMPDHW-WMZOPIPTSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000274189607 273076119 /nfs/dbraw/zinc/07/61/19/273076119.db2.gz HRSAZMJEDMPDHW-WMZOPIPTSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000277269639 273185348 /nfs/dbraw/zinc/18/53/48/273185348.db2.gz MFEPWMKZNPWIPS-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000277269639 273185349 /nfs/dbraw/zinc/18/53/49/273185349.db2.gz MFEPWMKZNPWIPS-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000277552529 273205774 /nfs/dbraw/zinc/20/57/74/273205774.db2.gz SVAOYJMZXGOJDO-HKUYNNGSSA-N 2 1 345.487 1.654 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000284909794 274383271 /nfs/dbraw/zinc/38/32/71/274383271.db2.gz UIJGCHBTEXZRSU-SZVBFZGTSA-N 2 1 333.476 1.183 20 0 EDADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000422797618 275749331 /nfs/dbraw/zinc/74/93/31/275749331.db2.gz NQOSSLUEAHRVKD-CRAIPNDOSA-N 2 1 332.492 1.562 20 0 EDADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351858939 276136925 /nfs/dbraw/zinc/13/69/25/276136925.db2.gz FAHNMSLXTAUQBP-BZUAXINKSA-N 2 1 347.459 1.344 20 0 EDADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351858939 276136926 /nfs/dbraw/zinc/13/69/26/276136926.db2.gz FAHNMSLXTAUQBP-BZUAXINKSA-N 2 1 347.459 1.344 20 0 EDADMP CC[N@@H+]1CCC[C@@H](CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000355373027 276165870 /nfs/dbraw/zinc/16/58/70/276165870.db2.gz SEPYHQPWFBGXNE-HNNXBMFYSA-N 2 1 344.463 1.684 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000355373027 276165871 /nfs/dbraw/zinc/16/58/71/276165871.db2.gz SEPYHQPWFBGXNE-HNNXBMFYSA-N 2 1 344.463 1.684 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H](C)C[NH2+]C)cc2)CC1 ZINC000236885805 276196642 /nfs/dbraw/zinc/19/66/42/276196642.db2.gz MMWRTGQRVDSDOB-INIZCTEOSA-N 2 1 332.492 1.296 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)N3CCCCCC3)C2)CC1 ZINC000107370099 276198571 /nfs/dbraw/zinc/19/85/71/276198571.db2.gz KEMXZOKQJXBVSP-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cnnn2C)CC1 ZINC000267537026 276202910 /nfs/dbraw/zinc/20/29/10/276202910.db2.gz WFJOHRLTRRGSEP-CQSZACIVSA-N 2 1 346.454 1.947 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC000355332273 276218523 /nfs/dbraw/zinc/21/85/23/276218523.db2.gz BBSVLSLJHDMVPI-NEWSRXKRSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000355332273 276218525 /nfs/dbraw/zinc/21/85/25/276218525.db2.gz BBSVLSLJHDMVPI-NEWSRXKRSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000355332273 276218526 /nfs/dbraw/zinc/21/85/26/276218526.db2.gz BBSVLSLJHDMVPI-NEWSRXKRSA-N 2 1 349.519 1.963 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346340512 276390023 /nfs/dbraw/zinc/39/00/23/276390023.db2.gz QPHZLZBHNPTCBP-IEBWSBKVSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346340512 276390026 /nfs/dbraw/zinc/39/00/26/276390026.db2.gz QPHZLZBHNPTCBP-IEBWSBKVSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346340512 276390027 /nfs/dbraw/zinc/39/00/27/276390027.db2.gz QPHZLZBHNPTCBP-IEBWSBKVSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346340512 276390030 /nfs/dbraw/zinc/39/00/30/276390030.db2.gz QPHZLZBHNPTCBP-IEBWSBKVSA-N 2 1 345.487 1.830 20 0 EDADMP CN1CC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccc(F)cc1 ZINC000377684029 277138059 /nfs/dbraw/zinc/13/80/59/277138059.db2.gz VTNRRNQTEIXGOS-MJGOQNOKSA-N 2 1 348.466 1.325 20 0 EDADMP C[NH2+]CCCC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000237161316 277266597 /nfs/dbraw/zinc/26/65/97/277266597.db2.gz WUAWGAIFKZYCRV-GOSISDBHSA-N 2 1 332.492 1.481 20 0 EDADMP C[NH2+]CCCC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000237161316 277266598 /nfs/dbraw/zinc/26/65/98/277266598.db2.gz WUAWGAIFKZYCRV-GOSISDBHSA-N 2 1 332.492 1.481 20 0 EDADMP C[NH2+]CCCC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000237161316 277266599 /nfs/dbraw/zinc/26/65/99/277266599.db2.gz WUAWGAIFKZYCRV-GOSISDBHSA-N 2 1 332.492 1.481 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000159040290 277275134 /nfs/dbraw/zinc/27/51/34/277275134.db2.gz ULMQCNOUSMHTGS-PKOBYXMFSA-N 2 1 344.503 1.433 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1 ZINC000414862872 277286613 /nfs/dbraw/zinc/28/66/13/277286613.db2.gz ADCBDMCOIVRMKO-INIZCTEOSA-N 2 1 332.448 1.143 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1 ZINC000414862872 277286614 /nfs/dbraw/zinc/28/66/14/277286614.db2.gz ADCBDMCOIVRMKO-INIZCTEOSA-N 2 1 332.448 1.143 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000106524863 277384983 /nfs/dbraw/zinc/38/49/83/277384983.db2.gz NGICSZJXBXQZPU-INIZCTEOSA-N 2 1 339.528 1.042 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000329703364 277758141 /nfs/dbraw/zinc/75/81/41/277758141.db2.gz IHIIREIXMYMKDG-SZMVWBNQSA-N 2 1 346.475 1.466 20 0 EDADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813958 278034842 /nfs/dbraw/zinc/03/48/42/278034842.db2.gz AVMZUBBZIKNZHF-YYWYGQEZSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813958 278034844 /nfs/dbraw/zinc/03/48/44/278034844.db2.gz AVMZUBBZIKNZHF-YYWYGQEZSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813958 278034846 /nfs/dbraw/zinc/03/48/46/278034846.db2.gz AVMZUBBZIKNZHF-YYWYGQEZSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H](C)C1 ZINC000376980859 278397290 /nfs/dbraw/zinc/39/72/90/278397290.db2.gz URRZZNUULOEOCA-NJINODPHSA-N 2 1 338.496 1.100 20 0 EDADMP CC[N@H+](C)CCNC(=O)NC[C@@H]1OCC[NH+](CC)[C@H]1c1ccccc1 ZINC000286715583 288068709 /nfs/dbraw/zinc/06/87/09/288068709.db2.gz JFWUZCXWBAFAPS-ROUUACIJSA-N 2 1 348.491 1.699 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NC[C@@H]1OCC[NH+](CC)[C@H]1c1ccccc1 ZINC000286715583 288068711 /nfs/dbraw/zinc/06/87/11/288068711.db2.gz JFWUZCXWBAFAPS-ROUUACIJSA-N 2 1 348.491 1.699 20 0 EDADMP CC[NH+](C)CCNC(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000286715583 288068712 /nfs/dbraw/zinc/06/87/12/288068712.db2.gz JFWUZCXWBAFAPS-ROUUACIJSA-N 2 1 348.491 1.699 20 0 EDADMP CC[NH+](C)CCNC(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000286715583 288068714 /nfs/dbraw/zinc/06/87/14/288068714.db2.gz JFWUZCXWBAFAPS-ROUUACIJSA-N 2 1 348.491 1.699 20 0 EDADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000246899965 279035971 /nfs/dbraw/zinc/03/59/71/279035971.db2.gz KEFZMNZPNJUBSY-MHORFTMASA-N 2 1 339.524 1.920 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000246899965 279035972 /nfs/dbraw/zinc/03/59/72/279035972.db2.gz KEFZMNZPNJUBSY-MHORFTMASA-N 2 1 339.524 1.920 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000246899965 279035973 /nfs/dbraw/zinc/03/59/73/279035973.db2.gz KEFZMNZPNJUBSY-MHORFTMASA-N 2 1 339.524 1.920 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000246899965 279035974 /nfs/dbraw/zinc/03/59/74/279035974.db2.gz KEFZMNZPNJUBSY-MHORFTMASA-N 2 1 339.524 1.920 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)CC(C)C ZINC000353845097 279163623 /nfs/dbraw/zinc/16/36/23/279163623.db2.gz MWKASGNZSMYLFE-SJORKVTESA-N 2 1 326.529 1.495 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000339827629 279302359 /nfs/dbraw/zinc/30/23/59/279302359.db2.gz PPTSHHSCERWJPC-DOTOQJQBSA-N 2 1 347.507 1.389 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000496306949 279306443 /nfs/dbraw/zinc/30/64/43/279306443.db2.gz KNSNIBNQADYUQG-HZSPNIEDSA-N 2 1 341.500 1.886 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000358927161 279311027 /nfs/dbraw/zinc/31/10/27/279311027.db2.gz OCADFRBDQIUUML-CQSZACIVSA-N 2 1 328.526 1.597 20 0 EDADMP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000358094985 279370896 /nfs/dbraw/zinc/37/08/96/279370896.db2.gz LMTVYJNPZGGMOM-WMZOPIPTSA-N 2 1 349.523 1.058 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)CC[N@H+]1Cc1ccccc1 ZINC000333496671 280104447 /nfs/dbraw/zinc/10/44/47/280104447.db2.gz CWDNJNRZKYRNIO-RDJZCZTQSA-N 2 1 344.459 1.033 20 0 EDADMP CC[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)NC(=O)OC(C)(C)C ZINC000496177607 280141371 /nfs/dbraw/zinc/14/13/71/280141371.db2.gz IKGYKGBDHPFVLX-UONOGXRCSA-N 2 1 341.500 1.888 20 0 EDADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000287344983 288215200 /nfs/dbraw/zinc/21/52/00/288215200.db2.gz GNNOGYAZYHQTEZ-CQSZACIVSA-N 2 1 346.475 1.694 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000290240135 288864183 /nfs/dbraw/zinc/86/41/83/288864183.db2.gz SMXMMFYXZWVKAV-HZPDHXFCSA-N 2 1 327.432 1.826 20 0 EDADMP CC(C[NH+]1CC[C@H](n2cccn2)C1)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291688123 289150970 /nfs/dbraw/zinc/15/09/70/289150970.db2.gz HGHHKVAZDZJSRS-ROUUACIJSA-N 2 1 328.464 1.910 20 0 EDADMP C(=C/C[N@H+]1CC[C@@H](n2cccn2)C1)\C[NH+]1CC[C@H](n2cccn2)C1 ZINC000291704488 289156013 /nfs/dbraw/zinc/15/60/13/289156013.db2.gz IEADBMDEXDJWBI-KVHJKKSTSA-N 2 1 326.448 1.830 20 0 EDADMP C(=C/C[N@@H+]1CC[C@H](n2cccn2)C1)\C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000291704488 289156017 /nfs/dbraw/zinc/15/60/17/289156017.db2.gz IEADBMDEXDJWBI-KVHJKKSTSA-N 2 1 326.448 1.830 20 0 EDADMP C(=C/C[N@H+]1CC[C@H](n2cccn2)C1)\C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000291704488 289156023 /nfs/dbraw/zinc/15/60/23/289156023.db2.gz IEADBMDEXDJWBI-KVHJKKSTSA-N 2 1 326.448 1.830 20 0 EDADMP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355026869 289265485 /nfs/dbraw/zinc/26/54/85/289265485.db2.gz BERJDBDCIHJYAF-IAGOWNOFSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355026869 289265486 /nfs/dbraw/zinc/26/54/86/289265486.db2.gz BERJDBDCIHJYAF-IAGOWNOFSA-N 2 1 336.524 1.488 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292262833 289300732 /nfs/dbraw/zinc/30/07/32/289300732.db2.gz YUEWUZRLAYOXBV-HKUYNNGSSA-N 2 1 347.459 1.412 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292262833 289300738 /nfs/dbraw/zinc/30/07/38/289300738.db2.gz YUEWUZRLAYOXBV-HKUYNNGSSA-N 2 1 347.459 1.412 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292262833 289300740 /nfs/dbraw/zinc/30/07/40/289300740.db2.gz YUEWUZRLAYOXBV-HKUYNNGSSA-N 2 1 347.459 1.412 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)C[C@@H]1C ZINC000351635810 290096449 /nfs/dbraw/zinc/09/64/49/290096449.db2.gz QDSYQOPIZDCQPU-QAETUUGQSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC000351635810 290096452 /nfs/dbraw/zinc/09/64/52/290096452.db2.gz QDSYQOPIZDCQPU-QAETUUGQSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC000351635810 290096455 /nfs/dbraw/zinc/09/64/55/290096455.db2.gz QDSYQOPIZDCQPU-QAETUUGQSA-N 2 1 340.512 1.346 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419385747 304603539 /nfs/dbraw/zinc/60/35/39/304603539.db2.gz OHVFMUQREQEIFA-MRXNPFEDSA-N 2 1 349.479 1.112 20 0 EDADMP C[C@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000431793032 298691412 /nfs/dbraw/zinc/69/14/12/298691412.db2.gz FRHRGDKFCXPLIT-SJLPKXTDSA-N 2 1 333.476 1.764 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000458355992 447320666 /nfs/dbraw/zinc/32/06/66/447320666.db2.gz CWFUMDFUGNKKAH-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000295990416 303287502 /nfs/dbraw/zinc/28/75/02/303287502.db2.gz OYBOXGILAULIRX-GOEBONIOSA-N 2 1 344.459 1.802 20 0 EDADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000295990416 303287504 /nfs/dbraw/zinc/28/75/04/303287504.db2.gz OYBOXGILAULIRX-GOEBONIOSA-N 2 1 344.459 1.802 20 0 EDADMP C[NH2+]CCC[NH2+]Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000414864081 447333808 /nfs/dbraw/zinc/33/38/08/447333808.db2.gz YULQOULUBRSPKI-UHFFFAOYSA-N 2 1 335.448 1.396 20 0 EDADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420915083 304783430 /nfs/dbraw/zinc/78/34/30/304783430.db2.gz DJXVNCAMAVLXNF-QZTJIDSGSA-N 2 1 331.460 1.523 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](CC)[NH+]2CCCC2)CC[NH2+]CC1 ZINC000422962861 304881329 /nfs/dbraw/zinc/88/13/29/304881329.db2.gz GVKBYRTVIYERAV-HOTGVXAUSA-N 3 1 325.497 1.772 20 0 EDADMP Fc1ccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)c2cccnc2)c(F)c1 ZINC000423207862 304889461 /nfs/dbraw/zinc/88/94/61/304889461.db2.gz SIRXOAOIKABIFH-SFHVURJKSA-N 2 1 332.398 1.944 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@@]1(C)C[NH3+] ZINC000423978103 304921919 /nfs/dbraw/zinc/92/19/19/304921919.db2.gz ZNXKANKDIHHWIH-IMFGXOCKSA-N 2 1 344.503 1.418 20 0 EDADMP C[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000427270056 304987737 /nfs/dbraw/zinc/98/77/37/304987737.db2.gz PXGNXCDQZZPSTP-SJORKVTESA-N 2 1 330.476 1.313 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428034010 305004694 /nfs/dbraw/zinc/00/46/94/305004694.db2.gz BQNIGBLWVDSDDS-RHSMWYFYSA-N 2 1 327.428 1.747 20 0 EDADMP COC1(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCOCC1 ZINC000428860443 305019438 /nfs/dbraw/zinc/01/94/38/305019438.db2.gz LEBLOUJTUZVBEB-UHFFFAOYSA-N 2 1 334.460 1.804 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000429730882 305036099 /nfs/dbraw/zinc/03/60/99/305036099.db2.gz NYAPPMVBDLZVET-NXOAAHMSSA-N 2 1 335.492 1.476 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000429730880 305036111 /nfs/dbraw/zinc/03/61/11/305036111.db2.gz NYAPPMVBDLZVET-HZMVEIRTSA-N 2 1 335.492 1.476 20 0 EDADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430613038 305058885 /nfs/dbraw/zinc/05/88/85/305058885.db2.gz UHUQTWSMXQAHKC-GOEBONIOSA-N 2 1 346.475 1.363 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430647716 305061194 /nfs/dbraw/zinc/06/11/94/305061194.db2.gz QLGFQXIBRVCXIF-IAGOWNOFSA-N 2 1 345.491 1.322 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430647716 305061195 /nfs/dbraw/zinc/06/11/95/305061195.db2.gz QLGFQXIBRVCXIF-IAGOWNOFSA-N 2 1 345.491 1.322 20 0 EDADMP CSc1ccc(OCC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430660432 305061547 /nfs/dbraw/zinc/06/15/47/305061547.db2.gz DHGKJRNKPZCUPM-AWEZNQCLSA-N 2 1 337.489 1.574 20 0 EDADMP C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430657758 305061607 /nfs/dbraw/zinc/06/16/07/305061607.db2.gz WOLOEOOVVOVHME-JSGCOSHPSA-N 2 1 333.436 1.152 20 0 EDADMP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430657758 305061608 /nfs/dbraw/zinc/06/16/08/305061608.db2.gz WOLOEOOVVOVHME-JSGCOSHPSA-N 2 1 333.436 1.152 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000430876707 305066650 /nfs/dbraw/zinc/06/66/50/305066650.db2.gz GSBCQUYKXIRJLT-BMFZPTHFSA-N 2 1 344.459 1.450 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000430917272 305067934 /nfs/dbraw/zinc/06/79/34/305067934.db2.gz YGENKYLLEIGTLG-ZWKOTPCHSA-N 2 1 349.475 1.191 20 0 EDADMP C[C@H]([NH3+])C1CC[NH+](CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000430930782 305068785 /nfs/dbraw/zinc/06/87/85/305068785.db2.gz UGLOVBBGRINEDX-ZDUSSCGKSA-N 2 1 326.462 1.528 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000431043870 305073659 /nfs/dbraw/zinc/07/36/59/305073659.db2.gz FVGGEYQXHXVZKO-GOSISDBHSA-N 2 1 327.428 1.943 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000431043870 305073660 /nfs/dbraw/zinc/07/36/60/305073660.db2.gz FVGGEYQXHXVZKO-GOSISDBHSA-N 2 1 327.428 1.943 20 0 EDADMP COCC[C@]1(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000431059694 305074066 /nfs/dbraw/zinc/07/40/66/305074066.db2.gz CXDMQGLDCRSHFR-YVWKXTFCSA-N 2 1 345.487 1.954 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000433326329 305105891 /nfs/dbraw/zinc/10/58/91/305105891.db2.gz KQLICJXGQZHBNU-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000433326329 305105892 /nfs/dbraw/zinc/10/58/92/305105892.db2.gz KQLICJXGQZHBNU-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000433326329 305105893 /nfs/dbraw/zinc/10/58/93/305105893.db2.gz KQLICJXGQZHBNU-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000433980647 305116352 /nfs/dbraw/zinc/11/63/52/305116352.db2.gz JJCYGLDTQUNOJH-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000433980647 305116353 /nfs/dbraw/zinc/11/63/53/305116353.db2.gz JJCYGLDTQUNOJH-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435614313 305143372 /nfs/dbraw/zinc/14/33/72/305143372.db2.gz FGFGGFXSAFYVJS-HNNXBMFYSA-N 2 1 340.489 1.933 20 0 EDADMP C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435614313 305143373 /nfs/dbraw/zinc/14/33/73/305143373.db2.gz FGFGGFXSAFYVJS-HNNXBMFYSA-N 2 1 340.489 1.933 20 0 EDADMP C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435616271 305143510 /nfs/dbraw/zinc/14/35/10/305143510.db2.gz KHAYSWVRKDJZSP-INIZCTEOSA-N 2 1 332.448 1.476 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000436300853 305155540 /nfs/dbraw/zinc/15/55/40/305155540.db2.gz LFWKPTXNNVGVGW-YQQAZPJKSA-N 2 1 333.476 1.672 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000436300853 305155541 /nfs/dbraw/zinc/15/55/41/305155541.db2.gz LFWKPTXNNVGVGW-YQQAZPJKSA-N 2 1 333.476 1.672 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000436300851 305155619 /nfs/dbraw/zinc/15/56/19/305155619.db2.gz LFWKPTXNNVGVGW-BFYDXBDKSA-N 2 1 333.476 1.672 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000436300851 305155620 /nfs/dbraw/zinc/15/56/20/305155620.db2.gz LFWKPTXNNVGVGW-BFYDXBDKSA-N 2 1 333.476 1.672 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCCc2ccccc2OC)[C@H](C)C1 ZINC000436300827 305155637 /nfs/dbraw/zinc/15/56/37/305155637.db2.gz LAGMAYXHYUPSMZ-NVXWUHKLSA-N 2 1 333.476 1.674 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCCc2ccccc2OC)[C@H](C)C1 ZINC000436300827 305155638 /nfs/dbraw/zinc/15/56/38/305155638.db2.gz LAGMAYXHYUPSMZ-NVXWUHKLSA-N 2 1 333.476 1.674 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccnn2CC[NH+](C)C)[C@@H](C)C1 ZINC000436487152 305158598 /nfs/dbraw/zinc/15/85/98/305158598.db2.gz KEQIQWHJXLGJCV-LSDHHAIUSA-N 2 1 336.484 1.639 20 0 EDADMP COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443056072 305234163 /nfs/dbraw/zinc/23/41/63/305234163.db2.gz BZKZJDCBCHAKKN-AWEZNQCLSA-N 2 1 326.462 1.530 20 0 EDADMP COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443056072 305234164 /nfs/dbraw/zinc/23/41/64/305234164.db2.gz BZKZJDCBCHAKKN-AWEZNQCLSA-N 2 1 326.462 1.530 20 0 EDADMP CCOCC[C@@H](O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000444612273 305251667 /nfs/dbraw/zinc/25/16/67/305251667.db2.gz SWTYMTDAXFOSQB-FGTMMUONSA-N 2 1 327.513 1.264 20 0 EDADMP CC1(C)CCC[N@H+](CCNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000445091704 305256262 /nfs/dbraw/zinc/25/62/62/305256262.db2.gz LOJUTSHRVAIUQF-UHFFFAOYSA-N 2 1 328.526 1.456 20 0 EDADMP CC1(C)CCC[N@@H+](CCNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000445091704 305256263 /nfs/dbraw/zinc/25/62/63/305256263.db2.gz LOJUTSHRVAIUQF-UHFFFAOYSA-N 2 1 328.526 1.456 20 0 EDADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000446358669 305263585 /nfs/dbraw/zinc/26/35/85/305263585.db2.gz ASVHNJRUGNMYCZ-LJCCNALRSA-N 2 1 349.519 1.900 20 0 EDADMP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000446890606 305271544 /nfs/dbraw/zinc/27/15/44/305271544.db2.gz MYHPDABDEWKEMM-ROUUACIJSA-N 2 1 345.447 1.074 20 0 EDADMP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000446890606 305271545 /nfs/dbraw/zinc/27/15/45/305271545.db2.gz MYHPDABDEWKEMM-ROUUACIJSA-N 2 1 345.447 1.074 20 0 EDADMP CCC[C@]1(CO)CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000446907241 305271661 /nfs/dbraw/zinc/27/16/61/305271661.db2.gz VIGIFMSTICOEEK-GOSISDBHSA-N 2 1 333.480 1.355 20 0 EDADMP CCC[C@]1(CO)CCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000446907241 305271662 /nfs/dbraw/zinc/27/16/62/305271662.db2.gz VIGIFMSTICOEEK-GOSISDBHSA-N 2 1 333.480 1.355 20 0 EDADMP COC(=O)COC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000449095959 305306380 /nfs/dbraw/zinc/30/63/80/305306380.db2.gz CXYRNZLYEVASPF-GFCCVEGCSA-N 2 1 335.379 1.988 20 0 EDADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000449103333 305306728 /nfs/dbraw/zinc/30/67/28/305306728.db2.gz ASEIFUZYEMJFDZ-ZBFHGGJFSA-N 2 1 325.497 1.722 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(I)cc2)C1 ZINC000449241501 305309313 /nfs/dbraw/zinc/30/93/13/305309313.db2.gz BJGAYXNMXNWWRW-CYBMUJFWSA-N 2 1 346.212 1.447 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(I)cc2)C1 ZINC000449241501 305309314 /nfs/dbraw/zinc/30/93/14/305309314.db2.gz BJGAYXNMXNWWRW-CYBMUJFWSA-N 2 1 346.212 1.447 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452067307 305381984 /nfs/dbraw/zinc/38/19/84/305381984.db2.gz IDCJJUYUBSSRNI-NEPXVJNWSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@H](C)C[C@H](O)C1 ZINC000452067307 305381985 /nfs/dbraw/zinc/38/19/85/305381985.db2.gz IDCJJUYUBSSRNI-NEPXVJNWSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@H](C)C[C@H](O)C1 ZINC000452067307 305381986 /nfs/dbraw/zinc/38/19/86/305381986.db2.gz IDCJJUYUBSSRNI-NEPXVJNWSA-N 2 1 345.487 1.468 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000419694476 447353888 /nfs/dbraw/zinc/35/38/88/447353888.db2.gz JMTUBGUQABACJH-OAHLLOKOSA-N 2 1 340.512 1.247 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000536353643 306020265 /nfs/dbraw/zinc/02/02/65/306020265.db2.gz IYJSQMHHOFPHKN-FGTMMUONSA-N 2 1 346.475 1.015 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536353643 306020266 /nfs/dbraw/zinc/02/02/66/306020266.db2.gz IYJSQMHHOFPHKN-FGTMMUONSA-N 2 1 346.475 1.015 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000536353643 306020267 /nfs/dbraw/zinc/02/02/67/306020267.db2.gz IYJSQMHHOFPHKN-FGTMMUONSA-N 2 1 346.475 1.015 20 0 EDADMP CN(CCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)c1cc[nH+]cc1 ZINC000542784948 306058357 /nfs/dbraw/zinc/05/83/57/306058357.db2.gz GROOMLLFBQERHP-GOSISDBHSA-N 2 1 346.475 1.621 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000543683896 306066601 /nfs/dbraw/zinc/06/66/01/306066601.db2.gz IVESHOAFWLJWKH-SFHVURJKSA-N 2 1 348.491 1.831 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000543683896 306066602 /nfs/dbraw/zinc/06/66/02/306066602.db2.gz IVESHOAFWLJWKH-SFHVURJKSA-N 2 1 348.491 1.831 20 0 EDADMP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000557184124 306225702 /nfs/dbraw/zinc/22/57/02/306225702.db2.gz LFPLLDLDNZFEDC-YVSFHVDLSA-N 2 1 336.480 1.166 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000557338912 306227609 /nfs/dbraw/zinc/22/76/09/306227609.db2.gz HRRGLPKEXGRKFZ-SRABZTEZSA-N 2 1 348.495 1.457 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000557338912 306227610 /nfs/dbraw/zinc/22/76/10/306227610.db2.gz HRRGLPKEXGRKFZ-SRABZTEZSA-N 2 1 348.495 1.457 20 0 EDADMP [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000414956855 447374088 /nfs/dbraw/zinc/37/40/88/447374088.db2.gz AUMCEAFXDHECQJ-MRXNPFEDSA-N 2 1 332.448 1.516 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458450731 447375294 /nfs/dbraw/zinc/37/52/94/447375294.db2.gz GJGQLVXBJOSGCM-INIZCTEOSA-N 2 1 326.485 1.007 20 0 EDADMP CN1CC[NH+](CC2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)CC1 ZINC000426306490 447415710 /nfs/dbraw/zinc/41/57/10/447415710.db2.gz GEUUDRXAGSLURC-GOSISDBHSA-N 2 1 334.508 1.099 20 0 EDADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000419806239 447424558 /nfs/dbraw/zinc/42/45/58/447424558.db2.gz RCZDFCAKKYGEKU-GJZGRUSLSA-N 2 1 338.496 1.001 20 0 EDADMP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000458611493 447426874 /nfs/dbraw/zinc/42/68/74/447426874.db2.gz DWLYQPIQKMVYNQ-IRXDYDNUSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000458611493 447426877 /nfs/dbraw/zinc/42/68/77/447426877.db2.gz DWLYQPIQKMVYNQ-IRXDYDNUSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000458611493 447426882 /nfs/dbraw/zinc/42/68/82/447426882.db2.gz DWLYQPIQKMVYNQ-IRXDYDNUSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000458611493 447426886 /nfs/dbraw/zinc/42/68/86/447426886.db2.gz DWLYQPIQKMVYNQ-IRXDYDNUSA-N 2 1 348.491 1.215 20 0 EDADMP CC[N@H+](CCNC(=O)N1CC[NH+](CCOC(C)C)CC1)C(C)C ZINC000080676636 441188570 /nfs/dbraw/zinc/18/85/70/441188570.db2.gz KJPWYYMESYTAFO-UHFFFAOYSA-N 2 1 328.501 1.469 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[NH+](CCOC(C)C)CC1)C(C)C ZINC000080676636 441188573 /nfs/dbraw/zinc/18/85/73/441188573.db2.gz KJPWYYMESYTAFO-UHFFFAOYSA-N 2 1 328.501 1.469 20 0 EDADMP CC(C)C[C@H](CNC(=O)NCC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000105104339 441233420 /nfs/dbraw/zinc/23/34/20/441233420.db2.gz MGCCBFGFXRBOJI-QGZVFWFLSA-N 2 1 340.512 1.374 20 0 EDADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000081378010 441261774 /nfs/dbraw/zinc/26/17/74/441261774.db2.gz XHSWDCBSAOPIEK-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000081378010 441261780 /nfs/dbraw/zinc/26/17/80/441261780.db2.gz XHSWDCBSAOPIEK-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000081378010 441261784 /nfs/dbraw/zinc/26/17/84/441261784.db2.gz XHSWDCBSAOPIEK-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000081378010 441261789 /nfs/dbraw/zinc/26/17/89/441261789.db2.gz XHSWDCBSAOPIEK-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCN(CC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000072963342 441278954 /nfs/dbraw/zinc/27/89/54/441278954.db2.gz BOYXPLMICMXRHL-HDICACEKSA-N 2 1 338.540 1.498 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000073013051 441286354 /nfs/dbraw/zinc/28/63/54/441286354.db2.gz RNBZJCGWSSAPNG-KRWDZBQOSA-N 2 1 330.476 1.267 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000073527617 441322873 /nfs/dbraw/zinc/32/28/73/441322873.db2.gz KEYMEXQZMHTTNU-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000073527617 441322878 /nfs/dbraw/zinc/32/28/78/441322878.db2.gz KEYMEXQZMHTTNU-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000073527617 441322885 /nfs/dbraw/zinc/32/28/85/441322885.db2.gz KEYMEXQZMHTTNU-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000073334081 441309772 /nfs/dbraw/zinc/30/97/72/441309772.db2.gz SSMFOYGBBPXIIZ-UHFFFAOYSA-N 2 1 337.508 1.964 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000106551776 441353965 /nfs/dbraw/zinc/35/39/65/441353965.db2.gz OQLAGEZHIPOTKY-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085423693 441439552 /nfs/dbraw/zinc/43/95/52/441439552.db2.gz WEZGOEQNQACKNR-MRXNPFEDSA-N 2 1 342.528 1.715 20 0 EDADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713594 441471453 /nfs/dbraw/zinc/47/14/53/441471453.db2.gz URJKATDAKZOWTG-HNNXBMFYSA-N 2 1 338.496 1.809 20 0 EDADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2cc[nH]c2)c1 ZINC000086251342 441460786 /nfs/dbraw/zinc/46/07/86/441460786.db2.gz AFOIJDZZGYRJSH-UHFFFAOYSA-N 2 1 342.443 1.965 20 0 EDADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CN1CC[NH+](C)CC1 ZINC000111598240 441538713 /nfs/dbraw/zinc/53/87/13/441538713.db2.gz OOCUDYZXCZOWGI-UHFFFAOYSA-N 2 1 332.492 1.344 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000112917948 441567028 /nfs/dbraw/zinc/56/70/28/441567028.db2.gz JDQPCXUOERLKIL-GOSISDBHSA-N 2 1 332.492 1.433 20 0 EDADMP CCOC[C@@H](O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000113504347 441612021 /nfs/dbraw/zinc/61/20/21/441612021.db2.gz MRMCQVOKGPVHSM-IBGZPJMESA-N 2 1 335.492 1.133 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090527652 441632990 /nfs/dbraw/zinc/63/29/90/441632990.db2.gz PERBKUFZPRAALK-ZACQAIPSSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090527652 441632995 /nfs/dbraw/zinc/63/29/95/441632995.db2.gz PERBKUFZPRAALK-ZACQAIPSSA-N 2 1 340.512 1.515 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)[C@H](C)C1 ZINC000090913812 441646400 /nfs/dbraw/zinc/64/64/00/441646400.db2.gz INGGZPHZWPLPLI-GTAWCEEGSA-N 2 1 331.504 1.942 20 0 EDADMP CC[N@@H+]1CC[C@H](NC[C@@H]2C[C@H](O)C[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000090913812 441646404 /nfs/dbraw/zinc/64/64/04/441646404.db2.gz INGGZPHZWPLPLI-GTAWCEEGSA-N 2 1 331.504 1.942 20 0 EDADMP CC[N@H+]1CC[C@H](NC[C@@H]2C[C@H](O)C[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000090913812 441646410 /nfs/dbraw/zinc/64/64/10/441646410.db2.gz INGGZPHZWPLPLI-GTAWCEEGSA-N 2 1 331.504 1.942 20 0 EDADMP CC[NH+]1CC[C@H](NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000090913812 441646413 /nfs/dbraw/zinc/64/64/13/441646413.db2.gz INGGZPHZWPLPLI-GTAWCEEGSA-N 2 1 331.504 1.942 20 0 EDADMP CC[NH+]1CC[C@H](NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000090913812 441646418 /nfs/dbraw/zinc/64/64/18/441646418.db2.gz INGGZPHZWPLPLI-GTAWCEEGSA-N 2 1 331.504 1.942 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000114453970 441657307 /nfs/dbraw/zinc/65/73/07/441657307.db2.gz PCTKNCKPAHBNNJ-UHFFFAOYSA-N 2 1 347.459 1.836 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000114453970 441657310 /nfs/dbraw/zinc/65/73/10/441657310.db2.gz PCTKNCKPAHBNNJ-UHFFFAOYSA-N 2 1 347.459 1.836 20 0 EDADMP CC(C)C[N@H+]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000077362953 441762813 /nfs/dbraw/zinc/76/28/13/441762813.db2.gz RAKMOTZMKBIFHG-UHFFFAOYSA-N 2 1 338.540 1.639 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000158822477 441767346 /nfs/dbraw/zinc/76/73/46/441767346.db2.gz DKUCUTGRPZGHIN-QYZOEREBSA-N 3 1 339.524 1.578 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000158822477 441767350 /nfs/dbraw/zinc/76/73/50/441767350.db2.gz DKUCUTGRPZGHIN-QYZOEREBSA-N 2 1 339.524 1.578 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC000069221700 441905974 /nfs/dbraw/zinc/90/59/74/441905974.db2.gz JUBYDSZRHJTZOK-ROUUACIJSA-N 2 1 333.524 1.990 20 0 EDADMP C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723343 441958462 /nfs/dbraw/zinc/95/84/62/441958462.db2.gz KBOAVUIMKTXTQF-KRWDZBQOSA-N 2 1 344.503 1.534 20 0 EDADMP COC(=O)c1cccc(OCC[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000174722525 441959028 /nfs/dbraw/zinc/95/90/28/441959028.db2.gz FYKJPESMRGCUOT-UHFFFAOYSA-N 2 1 349.475 1.421 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175222368 442020893 /nfs/dbraw/zinc/02/08/93/442020893.db2.gz OLLIVORAAJRIRS-IYBDPMFKSA-N 2 1 342.528 1.905 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175222368 442020898 /nfs/dbraw/zinc/02/08/98/442020898.db2.gz OLLIVORAAJRIRS-IYBDPMFKSA-N 2 1 342.528 1.905 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175222368 442020901 /nfs/dbraw/zinc/02/09/01/442020901.db2.gz OLLIVORAAJRIRS-IYBDPMFKSA-N 2 1 342.528 1.905 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175222368 442020906 /nfs/dbraw/zinc/02/09/06/442020906.db2.gz OLLIVORAAJRIRS-IYBDPMFKSA-N 2 1 342.528 1.905 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000079254243 442032292 /nfs/dbraw/zinc/03/22/92/442032292.db2.gz GIJAPXSHACEJIM-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000151269184 442034414 /nfs/dbraw/zinc/03/44/14/442034414.db2.gz RATARBBPOFPETK-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC([NH+]2CCC[C@H]2C)CC1 ZINC000126419672 442110858 /nfs/dbraw/zinc/11/08/58/442110858.db2.gz HUWKUUIEOZWPBT-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000126419672 442110863 /nfs/dbraw/zinc/11/08/63/442110863.db2.gz HUWKUUIEOZWPBT-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000126419672 442110864 /nfs/dbraw/zinc/11/08/64/442110864.db2.gz HUWKUUIEOZWPBT-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000176084858 442172628 /nfs/dbraw/zinc/17/26/28/442172628.db2.gz SASIRWNPGCBLOY-MRXNPFEDSA-N 2 1 346.475 1.596 20 0 EDADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121164883 442185777 /nfs/dbraw/zinc/18/57/77/442185777.db2.gz BSSLIFJDBGJUQF-IBGZPJMESA-N 2 1 344.503 1.214 20 0 EDADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121164883 442185780 /nfs/dbraw/zinc/18/57/80/442185780.db2.gz BSSLIFJDBGJUQF-IBGZPJMESA-N 2 1 344.503 1.214 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000152545362 442224777 /nfs/dbraw/zinc/22/47/77/442224777.db2.gz DRWWJDRGUAWZBA-IEBWSBKVSA-N 2 1 333.476 1.327 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000153490987 442285488 /nfs/dbraw/zinc/28/54/88/442285488.db2.gz SWQMEZCMVHTASN-MRXNPFEDSA-N 2 1 340.512 1.207 20 0 EDADMP CC1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000153677304 442295217 /nfs/dbraw/zinc/29/52/17/442295217.db2.gz BSAFHCOQXWETLY-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154336285 442333350 /nfs/dbraw/zinc/33/33/50/442333350.db2.gz MQWAMRIZLQJQQQ-AAEUAGOBSA-N 2 1 343.855 1.578 20 0 EDADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000177490432 442349025 /nfs/dbraw/zinc/34/90/25/442349025.db2.gz NIORCKMAZGDWEQ-IYBDPMFKSA-N 2 1 346.537 1.632 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000177490432 442349026 /nfs/dbraw/zinc/34/90/26/442349026.db2.gz NIORCKMAZGDWEQ-IYBDPMFKSA-N 2 1 346.537 1.632 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000171471997 442351066 /nfs/dbraw/zinc/35/10/66/442351066.db2.gz ZRWSHSSINVTFJR-QGZVFWFLSA-N 2 1 345.491 1.324 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000129206095 442306164 /nfs/dbraw/zinc/30/61/64/442306164.db2.gz RWYKPIDTHRFHHI-JFIYKMOQSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000129206095 442306167 /nfs/dbraw/zinc/30/61/67/442306167.db2.gz RWYKPIDTHRFHHI-JFIYKMOQSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000129206095 442306170 /nfs/dbraw/zinc/30/61/70/442306170.db2.gz RWYKPIDTHRFHHI-JFIYKMOQSA-N 2 1 334.508 1.987 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000129428149 442315679 /nfs/dbraw/zinc/31/56/79/442315679.db2.gz LRYLPOULHJEYMR-IRXDYDNUSA-N 2 1 340.512 1.326 20 0 EDADMP C[C@H]1CCC[C@](CNC(=O)NCCC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000131538845 442374236 /nfs/dbraw/zinc/37/42/36/442374236.db2.gz GSRBLELGXAHHAT-WMZOPIPTSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000178522731 442441250 /nfs/dbraw/zinc/44/12/50/442441250.db2.gz NMGWBQNRDKDJHD-PXNSSMCTSA-N 3 1 346.519 1.728 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000172548749 442487644 /nfs/dbraw/zinc/48/76/44/442487644.db2.gz KUBUMERGDRKZOR-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172548749 442487648 /nfs/dbraw/zinc/48/76/48/442487648.db2.gz KUBUMERGDRKZOR-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172548749 442487652 /nfs/dbraw/zinc/48/76/52/442487652.db2.gz KUBUMERGDRKZOR-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000178849951 442502857 /nfs/dbraw/zinc/50/28/57/442502857.db2.gz VFDHRPOFYCZNIK-SFHVURJKSA-N 2 1 333.476 1.913 20 0 EDADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000178849951 442502861 /nfs/dbraw/zinc/50/28/61/442502861.db2.gz VFDHRPOFYCZNIK-SFHVURJKSA-N 2 1 333.476 1.913 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(C[NH3+])cc3)CC2)cn1 ZINC000186448971 442536698 /nfs/dbraw/zinc/53/66/98/442536698.db2.gz WWEITQWMTJQSEK-UHFFFAOYSA-N 2 1 327.432 1.227 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc(C[NH3+])cc3)CC2)cn1 ZINC000186448971 442536707 /nfs/dbraw/zinc/53/67/07/442536707.db2.gz WWEITQWMTJQSEK-UHFFFAOYSA-N 2 1 327.432 1.227 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000156693336 442510997 /nfs/dbraw/zinc/51/09/97/442510997.db2.gz UNQURWCPJWHCDB-CGTJXYLNSA-N 2 1 331.460 1.344 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000156693336 442511000 /nfs/dbraw/zinc/51/10/00/442511000.db2.gz UNQURWCPJWHCDB-CGTJXYLNSA-N 2 1 331.460 1.344 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000156693336 442511002 /nfs/dbraw/zinc/51/10/02/442511002.db2.gz UNQURWCPJWHCDB-CGTJXYLNSA-N 2 1 331.460 1.344 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000156693336 442511007 /nfs/dbraw/zinc/51/10/07/442511007.db2.gz UNQURWCPJWHCDB-CGTJXYLNSA-N 2 1 331.460 1.344 20 0 EDADMP CCCN(C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000178885036 442514744 /nfs/dbraw/zinc/51/47/44/442514744.db2.gz KLVQRMXNZKOOOG-LJQANCHMSA-N 2 1 344.503 1.648 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000180017729 442529188 /nfs/dbraw/zinc/52/91/88/442529188.db2.gz WADMXBFEXVJLLU-IAGOWNOFSA-N 2 1 343.537 1.653 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)cc2F)CC1 ZINC000179155022 442584262 /nfs/dbraw/zinc/58/42/62/442584262.db2.gz XELABNZWAQRYQM-GASCZTMLSA-N 2 1 348.466 1.790 20 0 EDADMP Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCCOCC2)[NH+](C)C)cc1 ZINC000187046638 442649097 /nfs/dbraw/zinc/64/90/97/442649097.db2.gz ZZHHXPACZOIZQQ-SFHVURJKSA-N 2 1 348.491 1.619 20 0 EDADMP CO[C@@H]1CC[C@H]2OCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC000192778298 442685460 /nfs/dbraw/zinc/68/54/60/442685460.db2.gz BWIDXPNZKRFLRZ-CEXWTWQISA-N 2 1 339.524 1.671 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192810680 442688693 /nfs/dbraw/zinc/68/86/93/442688693.db2.gz SCNQGUAKFCQZND-YQQQUEKLSA-N 2 1 344.503 1.693 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192810680 442688695 /nfs/dbraw/zinc/68/86/95/442688695.db2.gz SCNQGUAKFCQZND-YQQQUEKLSA-N 3 1 344.503 1.693 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192810680 442688698 /nfs/dbraw/zinc/68/86/98/442688698.db2.gz SCNQGUAKFCQZND-YQQQUEKLSA-N 3 1 344.503 1.693 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)CC1 ZINC000187952327 442700073 /nfs/dbraw/zinc/70/00/73/442700073.db2.gz AFDLGNPFZCWHDP-YJBOKZPZSA-N 2 1 325.497 1.458 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000187967458 442700914 /nfs/dbraw/zinc/70/09/14/442700914.db2.gz CQXGTLYUYGQSKK-TTZDDIAXSA-N 2 1 337.489 1.624 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+](CC)CCO)C1 ZINC000187267999 442665948 /nfs/dbraw/zinc/66/59/48/442665948.db2.gz XCVUPDXCOCEJKG-INIZCTEOSA-N 2 1 342.528 1.500 20 0 EDADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+](CC)CCO)C1 ZINC000187267999 442665949 /nfs/dbraw/zinc/66/59/49/442665949.db2.gz XCVUPDXCOCEJKG-INIZCTEOSA-N 2 1 342.528 1.500 20 0 EDADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+](CC)CCO)C1 ZINC000187267999 442665951 /nfs/dbraw/zinc/66/59/51/442665951.db2.gz XCVUPDXCOCEJKG-INIZCTEOSA-N 2 1 342.528 1.500 20 0 EDADMP CC1CC[NH+](CCNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000187398018 442673786 /nfs/dbraw/zinc/67/37/86/442673786.db2.gz CTENQVJWCBUTMO-INIZCTEOSA-N 2 1 340.512 1.205 20 0 EDADMP CCOC1CC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)(N2CCOCC2)C1 ZINC000193404595 442739273 /nfs/dbraw/zinc/73/92/73/442739273.db2.gz MMKYNIWGNKBZOP-ZSBOJNDFSA-N 2 1 339.524 1.575 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000188698002 442791094 /nfs/dbraw/zinc/79/10/94/442791094.db2.gz RUJGCVGUNMHDEY-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000188698002 442791096 /nfs/dbraw/zinc/79/10/96/442791096.db2.gz RUJGCVGUNMHDEY-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000188698002 442791100 /nfs/dbraw/zinc/79/11/00/442791100.db2.gz RUJGCVGUNMHDEY-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000246278052 442768742 /nfs/dbraw/zinc/76/87/42/442768742.db2.gz JSXVESRCSGCARB-HZPDHXFCSA-N 2 1 342.528 1.619 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)C2CC2)[C@H](C)C1 ZINC000246280663 442768933 /nfs/dbraw/zinc/76/89/33/442768933.db2.gz NMTMERXTQQBRPU-NVXWUHKLSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](CC)C2CC2)[C@H](C)C1 ZINC000246280663 442768936 /nfs/dbraw/zinc/76/89/36/442768936.db2.gz NMTMERXTQQBRPU-NVXWUHKLSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](CC)C2CC2)[C@H](C)C1 ZINC000246280663 442768940 /nfs/dbraw/zinc/76/89/40/442768940.db2.gz NMTMERXTQQBRPU-NVXWUHKLSA-N 2 1 325.497 1.724 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000246360338 442775860 /nfs/dbraw/zinc/77/58/60/442775860.db2.gz PXEWFUIQZLGWKX-SJORKVTESA-N 2 1 343.537 1.466 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247049173 442831108 /nfs/dbraw/zinc/83/11/08/442831108.db2.gz NCWGPSFZPIBMFI-ZWKOTPCHSA-N 2 1 346.523 1.309 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)[nH+]1 ZINC000188775666 442810315 /nfs/dbraw/zinc/81/03/15/442810315.db2.gz IISLPFLPEUXPJA-UHFFFAOYSA-N 2 1 340.431 1.158 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000247107919 442836032 /nfs/dbraw/zinc/83/60/32/442836032.db2.gz LDPFJLYIBPUIQX-USXIJHARSA-N 2 1 325.497 1.709 20 0 EDADMP CC(C)COC[C@@H](O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182910816 442846612 /nfs/dbraw/zinc/84/66/12/442846612.db2.gz PHLPTOMAPMJIKD-ROUUACIJSA-N 2 1 327.513 1.122 20 0 EDADMP CC(C)COC[C@@H](O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182910816 442846613 /nfs/dbraw/zinc/84/66/13/442846613.db2.gz PHLPTOMAPMJIKD-ROUUACIJSA-N 2 1 327.513 1.122 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194449976 442898590 /nfs/dbraw/zinc/89/85/90/442898590.db2.gz ADFBWDNPQLBQHO-SFHVURJKSA-N 2 1 348.491 1.122 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194449976 442898595 /nfs/dbraw/zinc/89/85/95/442898595.db2.gz ADFBWDNPQLBQHO-SFHVURJKSA-N 2 1 348.491 1.122 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194449976 442898601 /nfs/dbraw/zinc/89/86/01/442898601.db2.gz ADFBWDNPQLBQHO-SFHVURJKSA-N 2 1 348.491 1.122 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@H]3CCCO3)CC2)CC1 ZINC000189253472 442905975 /nfs/dbraw/zinc/90/59/75/442905975.db2.gz USASMAOFQNOTCG-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](CO)C2)CC1 ZINC000265829132 442936919 /nfs/dbraw/zinc/93/69/19/442936919.db2.gz MCKFKHLJNPSHNA-GOSISDBHSA-N 2 1 345.487 1.344 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000195138597 442988243 /nfs/dbraw/zinc/98/82/43/442988243.db2.gz QYKOGQKMRYXEQQ-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP C[N@@H+](CCNC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000266121746 443025203 /nfs/dbraw/zinc/02/52/03/443025203.db2.gz HZJSJRRQFFQNEM-UHFFFAOYSA-N 2 1 330.476 1.409 20 0 EDADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC1(O)CCCCCC1 ZINC000190140175 443062706 /nfs/dbraw/zinc/06/27/06/443062706.db2.gz WXZNQAZVKOSDAH-UHFFFAOYSA-N 2 1 347.507 1.746 20 0 EDADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC1(O)CCCCCC1 ZINC000190140175 443062708 /nfs/dbraw/zinc/06/27/08/443062708.db2.gz WXZNQAZVKOSDAH-UHFFFAOYSA-N 2 1 347.507 1.746 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)[C@@H](C)C1 ZINC000245564440 443237737 /nfs/dbraw/zinc/23/77/37/443237737.db2.gz OFOYDAIQWGGDFB-DOTOQJQBSA-N 2 1 345.553 1.757 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000185473126 443204630 /nfs/dbraw/zinc/20/46/30/443204630.db2.gz DBTLKEKPVQSADS-MRXNPFEDSA-N 2 1 339.528 1.184 20 0 EDADMP CCCCNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185721501 443245415 /nfs/dbraw/zinc/24/54/15/443245415.db2.gz NDQOIXUZYXNEHG-HUUCEWRRSA-N 2 1 338.496 1.855 20 0 EDADMP CCCCNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721501 443245419 /nfs/dbraw/zinc/24/54/19/443245419.db2.gz NDQOIXUZYXNEHG-HUUCEWRRSA-N 2 1 338.496 1.855 20 0 EDADMP C[C@@H](CCn1cccn1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000354092949 319107607 /nfs/dbraw/zinc/10/76/07/319107607.db2.gz PFQAZGAVMBXFKS-PKOBYXMFSA-N 2 1 328.460 1.888 20 0 EDADMP C[C@@H](CCn1cccn1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000354092949 319107610 /nfs/dbraw/zinc/10/76/10/319107610.db2.gz PFQAZGAVMBXFKS-PKOBYXMFSA-N 2 1 328.460 1.888 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000382919014 319125205 /nfs/dbraw/zinc/12/52/05/319125205.db2.gz ZYTKLWALJIFLJH-HZPDHXFCSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]([NH2+]CCCOC(=O)NC(N)=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185755249 443251748 /nfs/dbraw/zinc/25/17/48/443251748.db2.gz XOGMAPVHPFVQNS-OLZOCXBDSA-N 2 1 326.441 1.424 20 0 EDADMP COCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCO[C@H]1C ZINC000411658870 319192959 /nfs/dbraw/zinc/19/29/59/319192959.db2.gz XOSPHXFMZQDYFU-DOTOQJQBSA-N 2 1 341.496 1.101 20 0 EDADMP COCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCO[C@H]1C ZINC000411658870 319192961 /nfs/dbraw/zinc/19/29/61/319192961.db2.gz XOSPHXFMZQDYFU-DOTOQJQBSA-N 2 1 341.496 1.101 20 0 EDADMP COCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCO[C@@H]1C ZINC000411658876 319193082 /nfs/dbraw/zinc/19/30/82/319193082.db2.gz XOSPHXFMZQDYFU-WBVHZDCISA-N 2 1 341.496 1.101 20 0 EDADMP COCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCO[C@@H]1C ZINC000411658876 319193084 /nfs/dbraw/zinc/19/30/84/319193084.db2.gz XOSPHXFMZQDYFU-WBVHZDCISA-N 2 1 341.496 1.101 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412252736 319228558 /nfs/dbraw/zinc/22/85/58/319228558.db2.gz QPMRSBFCTCZMFX-IBGZPJMESA-N 2 1 331.460 1.469 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000413827686 319291999 /nfs/dbraw/zinc/29/19/99/319291999.db2.gz CCMAEGAJVCTAIW-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000413827686 319292003 /nfs/dbraw/zinc/29/20/03/319292003.db2.gz CCMAEGAJVCTAIW-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000413827686 319292004 /nfs/dbraw/zinc/29/20/04/319292004.db2.gz CCMAEGAJVCTAIW-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000413827686 319292006 /nfs/dbraw/zinc/29/20/06/319292006.db2.gz CCMAEGAJVCTAIW-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cn1cc[nH+]c1C ZINC000413937374 319305655 /nfs/dbraw/zinc/30/56/55/319305655.db2.gz ITPKRBIQZVLQQX-UHFFFAOYSA-N 2 1 332.404 1.779 20 0 EDADMP CC(C)(C)[NH2+]CCN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000414689167 319342721 /nfs/dbraw/zinc/34/27/21/319342721.db2.gz FJBXJZAWVPSZML-QGZVFWFLSA-N 2 1 335.492 1.432 20 0 EDADMP Cc1cc([C@H]2C[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CCO2)ccc1F ZINC000414691270 319343141 /nfs/dbraw/zinc/34/31/41/319343141.db2.gz BDXRLSYGPAQYHC-CRAIPNDOSA-N 2 1 349.450 1.705 20 0 EDADMP Cc1cc([C@H]2C[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CCO2)ccc1F ZINC000414691270 319343143 /nfs/dbraw/zinc/34/31/43/319343143.db2.gz BDXRLSYGPAQYHC-CRAIPNDOSA-N 2 1 349.450 1.705 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000414693545 319343199 /nfs/dbraw/zinc/34/31/99/319343199.db2.gz CCPHFAHPAWQWHK-HNNXBMFYSA-N 2 1 346.475 1.583 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415128910 319346819 /nfs/dbraw/zinc/34/68/19/319346819.db2.gz ORYLBHLPCARFSQ-XJKSGUPXSA-N 2 1 336.480 1.868 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000415196556 319349188 /nfs/dbraw/zinc/34/91/88/319349188.db2.gz SAPPCVIQLUCUMZ-INIZCTEOSA-N 2 1 346.475 1.581 20 0 EDADMP Cc1ccc(NC(=O)NCC(F)(F)C[NH3+])c(OCC[NH+](C)C)c1 ZINC000415209089 319351382 /nfs/dbraw/zinc/35/13/82/319351382.db2.gz VKKSGKIBUZJHHT-UHFFFAOYSA-N 2 1 330.379 1.651 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)ccc1Cl ZINC000415277094 319359785 /nfs/dbraw/zinc/35/97/85/319359785.db2.gz XXORFVTXQCYOJC-GFCCVEGCSA-N 2 1 338.839 1.290 20 0 EDADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415892324 319381823 /nfs/dbraw/zinc/38/18/23/319381823.db2.gz IFJQMDPPYNSFMA-QGZVFWFLSA-N 2 1 332.448 1.301 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269308591 443276776 /nfs/dbraw/zinc/27/67/76/443276776.db2.gz VBOIKGYKPVZZQP-QGZVFWFLSA-N 2 1 332.448 1.146 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCCO1 ZINC000246208381 443279409 /nfs/dbraw/zinc/27/94/09/443279409.db2.gz JZSAGDYSKNMEJP-FUHWJXTLSA-N 2 1 340.512 1.613 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccnc(N)c3)CC2)CC1 ZINC000191489203 443301952 /nfs/dbraw/zinc/30/19/52/443301952.db2.gz RSWNGVIMBADSJQ-UHFFFAOYSA-N 2 1 345.491 1.430 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000416949120 319483196 /nfs/dbraw/zinc/48/31/96/319483196.db2.gz ZOIIDOFFMFGOTF-IAGOWNOFSA-N 2 1 334.464 1.342 20 0 EDADMP C[N@H+]1CCN(CCN[C@H](c2ncc[nH]2)c2cccnc2)CC1(C)C ZINC000282506003 443358607 /nfs/dbraw/zinc/35/86/07/443358607.db2.gz YLGDGGJYHYTAHH-INIZCTEOSA-N 2 1 328.464 1.510 20 0 EDADMP CC(C)[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000264948947 443487957 /nfs/dbraw/zinc/48/79/57/443487957.db2.gz XQTOMVLLTUCQHT-LJQANCHMSA-N 2 1 346.519 1.750 20 0 EDADMP O=Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000267409237 443447009 /nfs/dbraw/zinc/44/70/09/443447009.db2.gz ZDWFICOVVXHDKC-UHFFFAOYSA-N 2 1 341.415 1.164 20 0 EDADMP COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000265030419 443512617 /nfs/dbraw/zinc/51/26/17/443512617.db2.gz UUWHPHOPZLHRHQ-HUUCEWRRSA-N 2 1 338.448 1.327 20 0 EDADMP COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000265030419 443512621 /nfs/dbraw/zinc/51/26/21/443512621.db2.gz UUWHPHOPZLHRHQ-HUUCEWRRSA-N 2 1 338.448 1.327 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423407035 319772504 /nfs/dbraw/zinc/77/25/04/319772504.db2.gz LOXGPPPJEFSQDM-NFMODRRSSA-N 2 1 329.213 1.745 20 0 EDADMP CO[C@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000267760147 443568272 /nfs/dbraw/zinc/56/82/72/443568272.db2.gz FNDQNIUQBGHHCI-NXHRZFHOSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000267760147 443568277 /nfs/dbraw/zinc/56/82/77/443568277.db2.gz FNDQNIUQBGHHCI-NXHRZFHOSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@H]1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000267760147 443568280 /nfs/dbraw/zinc/56/82/80/443568280.db2.gz FNDQNIUQBGHHCI-NXHRZFHOSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@H]1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000267760147 443568283 /nfs/dbraw/zinc/56/82/83/443568283.db2.gz FNDQNIUQBGHHCI-NXHRZFHOSA-N 2 1 331.460 1.486 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+](CCO)[C@H]2CCc3ccccc32)CC1 ZINC000283172257 443548640 /nfs/dbraw/zinc/54/86/40/443548640.db2.gz PPFAJRJKEMMLBD-SFHVURJKSA-N 2 1 331.460 1.132 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCO)[C@H]2CCc3ccccc32)CC1 ZINC000283172257 443548643 /nfs/dbraw/zinc/54/86/43/443548643.db2.gz PPFAJRJKEMMLBD-SFHVURJKSA-N 2 1 331.460 1.132 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cncc(Br)c1 ZINC000272418633 443619132 /nfs/dbraw/zinc/61/91/32/443619132.db2.gz GIEYYZGFOAYACN-UHFFFAOYSA-N 2 1 341.297 1.913 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2O)CC1 ZINC000436827379 320024170 /nfs/dbraw/zinc/02/41/70/320024170.db2.gz JPZHRAZHRVNLSJ-RHSMWYFYSA-N 2 1 331.460 1.927 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2O)CC1 ZINC000436827379 320024171 /nfs/dbraw/zinc/02/41/71/320024171.db2.gz JPZHRAZHRVNLSJ-RHSMWYFYSA-N 2 1 331.460 1.927 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CCSC1 ZINC000447959910 320150605 /nfs/dbraw/zinc/15/06/05/320150605.db2.gz URKSKFIHSNTGNR-RHSMWYFYSA-N 2 1 342.553 1.843 20 0 EDADMP O=c1ccc(Br)cn1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449376438 320185483 /nfs/dbraw/zinc/18/54/83/320185483.db2.gz LNGSZFNMMZKXPN-KGLIPLIRSA-N 2 1 340.265 1.827 20 0 EDADMP C[C@@H](CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)[NH+](C)C ZINC000454322512 320286075 /nfs/dbraw/zinc/28/60/75/320286075.db2.gz OLVAAURIPRARKP-BBRMVZONSA-N 2 1 347.463 1.208 20 0 EDADMP C[C@@H](CNC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)[NH+](C)C ZINC000454322512 320286077 /nfs/dbraw/zinc/28/60/77/320286077.db2.gz OLVAAURIPRARKP-BBRMVZONSA-N 2 1 347.463 1.208 20 0 EDADMP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@H](C)[N@@H+]1CCO ZINC000457467378 320327078 /nfs/dbraw/zinc/32/70/78/320327078.db2.gz SMHGMPYSLUFNFJ-IYBDPMFKSA-N 2 1 340.512 1.347 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1cccc(F)c1 ZINC000457482282 320327735 /nfs/dbraw/zinc/32/77/35/320327735.db2.gz PJIZTSSMPZVVGN-USXIJHARSA-N 2 1 334.439 1.774 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH+](C)C ZINC000457494412 320328228 /nfs/dbraw/zinc/32/82/28/320328228.db2.gz XWWNYIAMTTYSPD-BHYGNILZSA-N 2 1 346.475 1.643 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH+](C)C ZINC000457494412 320328229 /nfs/dbraw/zinc/32/82/29/320328229.db2.gz XWWNYIAMTTYSPD-BHYGNILZSA-N 2 1 346.475 1.643 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCCC[C@H]1C ZINC000457700084 320332428 /nfs/dbraw/zinc/33/24/28/320332428.db2.gz GYCWTEGPEVQFBM-IXDOHACOSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@@H+]1CCCC[C@H]1C ZINC000457700084 320332429 /nfs/dbraw/zinc/33/24/29/320332429.db2.gz GYCWTEGPEVQFBM-IXDOHACOSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@H+]1CCCC[C@H]1C ZINC000457700084 320332430 /nfs/dbraw/zinc/33/24/30/320332430.db2.gz GYCWTEGPEVQFBM-IXDOHACOSA-N 2 1 340.512 1.395 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000458710111 320338986 /nfs/dbraw/zinc/33/89/86/320338986.db2.gz DRKREUQTZGLYLC-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000475045039 320353561 /nfs/dbraw/zinc/35/35/61/320353561.db2.gz IKUQQVJYQDGUMI-MHORFTMASA-N 2 1 335.471 1.549 20 0 EDADMP Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000475045041 320353651 /nfs/dbraw/zinc/35/36/51/320353651.db2.gz IKUQQVJYQDGUMI-XSLAGTTESA-N 2 1 335.471 1.549 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000276261831 443677886 /nfs/dbraw/zinc/67/78/86/443677886.db2.gz SBYZBEXHIIAKCC-IBGZPJMESA-N 2 1 346.519 1.775 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000521630190 320484974 /nfs/dbraw/zinc/48/49/74/320484974.db2.gz DBIZOGLDCZLNAO-SJLPKXTDSA-N 2 1 348.491 1.713 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280812258 443749121 /nfs/dbraw/zinc/74/91/21/443749121.db2.gz MDMIGDXARVNIKH-UYAOXDASSA-N 2 1 327.472 1.941 20 0 EDADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NC(N)=O ZINC000298891870 443894530 /nfs/dbraw/zinc/89/45/30/443894530.db2.gz XEGPPMRUUCFZQI-UONOGXRCSA-N 2 1 332.448 1.592 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N1CCO[C@@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000285340123 443948763 /nfs/dbraw/zinc/94/87/63/443948763.db2.gz SWCBIFHJNVUWOJ-KURKYZTESA-N 2 1 331.460 1.611 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CCO[C@@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000285340123 443948765 /nfs/dbraw/zinc/94/87/65/443948765.db2.gz SWCBIFHJNVUWOJ-KURKYZTESA-N 2 1 331.460 1.611 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21)c1ccccc1 ZINC000285340123 443948767 /nfs/dbraw/zinc/94/87/67/443948767.db2.gz SWCBIFHJNVUWOJ-KURKYZTESA-N 2 1 331.460 1.611 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000285340123 443948770 /nfs/dbraw/zinc/94/87/70/443948770.db2.gz SWCBIFHJNVUWOJ-KURKYZTESA-N 2 1 331.460 1.611 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000298937311 443907493 /nfs/dbraw/zinc/90/74/93/443907493.db2.gz PBNHLDSXMKCBOG-SFHVURJKSA-N 2 1 348.491 1.181 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000285383475 443963471 /nfs/dbraw/zinc/96/34/71/443963471.db2.gz ZKMYCUYWJVXOJD-FHWLQOOXSA-N 2 1 345.487 1.829 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)[N@H+](C)C1 ZINC000285383475 443963476 /nfs/dbraw/zinc/96/34/76/443963476.db2.gz ZKMYCUYWJVXOJD-FHWLQOOXSA-N 2 1 345.487 1.829 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)[N@@H+](C)C1 ZINC000285383475 443963479 /nfs/dbraw/zinc/96/34/79/443963479.db2.gz ZKMYCUYWJVXOJD-FHWLQOOXSA-N 2 1 345.487 1.829 20 0 EDADMP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000281627793 443963456 /nfs/dbraw/zinc/96/34/56/443963456.db2.gz CVXUQALMWQOALY-QZTJIDSGSA-N 2 1 331.460 1.475 20 0 EDADMP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000281627793 443963462 /nfs/dbraw/zinc/96/34/62/443963462.db2.gz CVXUQALMWQOALY-QZTJIDSGSA-N 2 1 331.460 1.475 20 0 EDADMP CS(=O)(=O)NCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285424181 443979314 /nfs/dbraw/zinc/97/93/14/443979314.db2.gz DVCUYAXSGKYZQQ-KRWDZBQOSA-N 2 1 337.489 1.134 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293230377 443957469 /nfs/dbraw/zinc/95/74/69/443957469.db2.gz BYOJCJJTGUZIGO-UHFFFAOYSA-N 2 1 331.420 1.429 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293230377 443957471 /nfs/dbraw/zinc/95/74/71/443957471.db2.gz BYOJCJJTGUZIGO-UHFFFAOYSA-N 2 1 331.420 1.429 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NCC(=O)OC ZINC000560407520 321026808 /nfs/dbraw/zinc/02/68/08/321026808.db2.gz YFLAKHQQEFQCFO-KKUMJFAQSA-N 2 1 327.469 1.154 20 0 EDADMP CCC(CC)[C@H](CNC(=O)C[N@@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000561109574 321033087 /nfs/dbraw/zinc/03/30/87/321033087.db2.gz LTFJCRMWUKEWCO-KRWDZBQOSA-N 2 1 339.524 1.972 20 0 EDADMP CCC(CC)[C@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000561109574 321033089 /nfs/dbraw/zinc/03/30/89/321033089.db2.gz LTFJCRMWUKEWCO-KRWDZBQOSA-N 2 1 339.524 1.972 20 0 EDADMP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000561280048 321038755 /nfs/dbraw/zinc/03/87/55/321038755.db2.gz APZNOIIDLQZBKP-RHSMWYFYSA-N 2 1 342.447 1.425 20 0 EDADMP C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000561280048 321038757 /nfs/dbraw/zinc/03/87/57/321038757.db2.gz APZNOIIDLQZBKP-RHSMWYFYSA-N 2 1 342.447 1.425 20 0 EDADMP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000561284746 321038911 /nfs/dbraw/zinc/03/89/11/321038911.db2.gz RPCVYYQHOFYWEQ-CVEARBPZSA-N 2 1 346.475 1.392 20 0 EDADMP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000561284746 321038912 /nfs/dbraw/zinc/03/89/12/321038912.db2.gz RPCVYYQHOFYWEQ-CVEARBPZSA-N 2 1 346.475 1.392 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCC(=O)OC(C)(C)C)CC1 ZINC000562299703 321050713 /nfs/dbraw/zinc/05/07/13/321050713.db2.gz VJPKDBIPOVWQNU-UHFFFAOYSA-N 2 1 348.447 1.894 20 0 EDADMP COC[C@@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000562521574 321060623 /nfs/dbraw/zinc/06/06/23/321060623.db2.gz LTLHXYXCKJLSDQ-FUHWJXTLSA-N 2 1 325.497 1.535 20 0 EDADMP COC[C@@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000562521574 321060624 /nfs/dbraw/zinc/06/06/24/321060624.db2.gz LTLHXYXCKJLSDQ-FUHWJXTLSA-N 2 1 325.497 1.535 20 0 EDADMP COC[C@@H](C)C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000562521574 321060625 /nfs/dbraw/zinc/06/06/25/321060625.db2.gz LTLHXYXCKJLSDQ-FUHWJXTLSA-N 2 1 325.497 1.535 20 0 EDADMP COC[C@@H](C)C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000562521574 321060626 /nfs/dbraw/zinc/06/06/26/321060626.db2.gz LTLHXYXCKJLSDQ-FUHWJXTLSA-N 2 1 325.497 1.535 20 0 EDADMP C[N@@H+](C[C@@H](O)CNCc1ccccc1C[NH+]1CCC[C@@H]1CO)C1CC1 ZINC000563139086 321098392 /nfs/dbraw/zinc/09/83/92/321098392.db2.gz VJCBLBSEDRTKLQ-UXHICEINSA-N 2 1 347.503 1.188 20 0 EDADMP C[NH+](C[C@@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000563139086 321098394 /nfs/dbraw/zinc/09/83/94/321098394.db2.gz VJCBLBSEDRTKLQ-UXHICEINSA-N 2 1 347.503 1.188 20 0 EDADMP C[NH+](C[C@@H](O)CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000563139086 321098395 /nfs/dbraw/zinc/09/83/95/321098395.db2.gz VJCBLBSEDRTKLQ-UXHICEINSA-N 2 1 347.503 1.188 20 0 EDADMP CN(C[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000563139086 321098397 /nfs/dbraw/zinc/09/83/97/321098397.db2.gz VJCBLBSEDRTKLQ-UXHICEINSA-N 2 1 347.503 1.188 20 0 EDADMP CN(C[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000563139086 321098398 /nfs/dbraw/zinc/09/83/98/321098398.db2.gz VJCBLBSEDRTKLQ-UXHICEINSA-N 2 1 347.503 1.188 20 0 EDADMP OCC1([NH2+]CC2CC2)CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000563214576 321101176 /nfs/dbraw/zinc/10/11/76/321101176.db2.gz BOXAETMXIOGCLW-KRWDZBQOSA-N 2 1 326.481 1.746 20 0 EDADMP [NH3+]C1CCC(OCC(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000564909085 321155826 /nfs/dbraw/zinc/15/58/26/321155826.db2.gz NZMSVZYGVCOMTF-UHFFFAOYSA-N 2 1 331.460 1.447 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000566009859 321210540 /nfs/dbraw/zinc/21/05/40/321210540.db2.gz OZJBAECWWLKTJI-LJIGWXMPSA-N 2 1 346.475 1.180 20 0 EDADMP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000566429260 321230230 /nfs/dbraw/zinc/23/02/30/321230230.db2.gz RVARGZOJIZTAIB-SFHVURJKSA-N 2 1 336.476 1.307 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000566429260 321230232 /nfs/dbraw/zinc/23/02/32/321230232.db2.gz RVARGZOJIZTAIB-SFHVURJKSA-N 2 1 336.476 1.307 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C[C@@H]3CCOC3)CC2)CC1 ZINC000566441881 321230968 /nfs/dbraw/zinc/23/09/68/321230968.db2.gz LNAJXSBIINHZSB-INIZCTEOSA-N 2 1 337.508 1.678 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000568622454 321299255 /nfs/dbraw/zinc/29/92/55/321299255.db2.gz AQXKFVXCAXGNEU-RYRKJORJSA-N 2 1 330.476 1.311 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000568748090 321304880 /nfs/dbraw/zinc/30/48/80/321304880.db2.gz ADCIFWBFFFXLKA-XJKSGUPXSA-N 2 1 345.491 1.581 20 0 EDADMP CSC1(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC[NH+](C)CC1 ZINC000569048053 321315625 /nfs/dbraw/zinc/31/56/25/321315625.db2.gz KRVFDHGLGTVGKN-CQSZACIVSA-N 2 1 328.526 1.455 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)NCCc1cccc2cccnc21 ZINC000569087435 321318057 /nfs/dbraw/zinc/31/80/57/321318057.db2.gz XKPBUJCMAGJQEP-QGZVFWFLSA-N 2 1 340.471 1.871 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000289304152 444102929 /nfs/dbraw/zinc/10/29/29/444102929.db2.gz ZKGXVKOFHVNCLH-IRXDYDNUSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000289304152 444102933 /nfs/dbraw/zinc/10/29/33/444102933.db2.gz ZKGXVKOFHVNCLH-IRXDYDNUSA-N 2 1 348.491 1.215 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000572014078 321411191 /nfs/dbraw/zinc/41/11/91/321411191.db2.gz QSSVGFOLCKOTJQ-HZMVEIRTSA-N 2 1 336.480 1.023 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000295177876 444168532 /nfs/dbraw/zinc/16/85/32/444168532.db2.gz MJCORAJYFNMVJZ-GOSISDBHSA-N 2 1 346.519 1.651 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCCn2cc(CO)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000289740541 444197228 /nfs/dbraw/zinc/19/72/28/444197228.db2.gz KOPRGTBAULHWHA-FUHWJXTLSA-N 2 1 343.475 1.803 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCCn2cc(CO)nn2)CC[N@H+]1Cc1ccccc1 ZINC000289740541 444197229 /nfs/dbraw/zinc/19/72/29/444197229.db2.gz KOPRGTBAULHWHA-FUHWJXTLSA-N 2 1 343.475 1.803 20 0 EDADMP O[C@H](COC1CCOCC1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000304955480 444254804 /nfs/dbraw/zinc/25/48/04/444254804.db2.gz YTIRACUSHUSCGY-SJORKVTESA-N 2 1 326.481 1.351 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN[C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289997085 444228732 /nfs/dbraw/zinc/22/87/32/444228732.db2.gz YTFMBHZREURNKO-YOEHRIQHSA-N 2 1 337.489 1.785 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289997085 444228734 /nfs/dbraw/zinc/22/87/34/444228734.db2.gz YTFMBHZREURNKO-YOEHRIQHSA-N 2 1 337.489 1.785 20 0 EDADMP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000304023246 444240790 /nfs/dbraw/zinc/24/07/90/444240790.db2.gz YPIFMIYGKWRZOG-KRWDZBQOSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000296597226 444242022 /nfs/dbraw/zinc/24/20/22/444242022.db2.gz YDLCXXGBPPKWKM-LSDHHAIUSA-N 2 1 331.460 1.664 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000296597226 444242024 /nfs/dbraw/zinc/24/20/24/444242024.db2.gz YDLCXXGBPPKWKM-LSDHHAIUSA-N 2 1 331.460 1.664 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)CC1 ZINC000305826207 444282210 /nfs/dbraw/zinc/28/22/10/444282210.db2.gz SMRFCDLHIKIIJG-WBVHZDCISA-N 2 1 325.497 1.458 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309731163 444289908 /nfs/dbraw/zinc/28/99/08/444289908.db2.gz PDJOTNMFTHDGEU-SJORKVTESA-N 2 1 333.501 1.720 20 0 EDADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCCN(C=O)CC3)c2cc1C ZINC000297757201 444329811 /nfs/dbraw/zinc/32/98/11/444329811.db2.gz UQLTXPWOVZDPGV-INIZCTEOSA-N 2 1 330.432 1.178 20 0 EDADMP O=C(COc1ccccc1)N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000298006776 444384596 /nfs/dbraw/zinc/38/45/96/444384596.db2.gz BQPRGQDHCWYRBM-QGZVFWFLSA-N 2 1 343.471 1.883 20 0 EDADMP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000337751734 444388818 /nfs/dbraw/zinc/38/88/18/444388818.db2.gz JKCCVKTVVDCSCG-LJQANCHMSA-N 2 1 326.444 1.723 20 0 EDADMP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000337751734 444388821 /nfs/dbraw/zinc/38/88/21/444388821.db2.gz JKCCVKTVVDCSCG-LJQANCHMSA-N 2 1 326.444 1.723 20 0 EDADMP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000340469561 444390950 /nfs/dbraw/zinc/39/09/50/444390950.db2.gz KSAUTQJTAVMWHV-FUHWJXTLSA-N 2 1 345.487 1.769 20 0 EDADMP C[C@H](CC(N)=O)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000340469557 444391021 /nfs/dbraw/zinc/39/10/21/444391021.db2.gz KSAUTQJTAVMWHV-AEFFLSMTSA-N 2 1 345.487 1.769 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)NC1CCC([NH3+])CC1 ZINC000331369445 444468847 /nfs/dbraw/zinc/46/88/47/444468847.db2.gz FSBFEYIVNRIOIR-ZBCRRDGASA-N 2 1 332.448 1.621 20 0 EDADMP O[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)Cc1ccccc1 ZINC000580545198 322064169 /nfs/dbraw/zinc/06/41/69/322064169.db2.gz IALZFAGNABCKPB-LEWJYISDSA-N 2 1 340.467 1.946 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)cc2)CC1 ZINC000580547820 322064694 /nfs/dbraw/zinc/06/46/94/322064694.db2.gz WXUMHZYIMSKAIF-IEBWSBKVSA-N 2 1 328.460 1.372 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000580832239 322101045 /nfs/dbraw/zinc/10/10/45/322101045.db2.gz TXPJSRDZJDTCGR-RLFYNMQTSA-N 2 1 334.464 1.048 20 0 EDADMP O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000581058325 322129748 /nfs/dbraw/zinc/12/97/48/322129748.db2.gz SGFAWRGFHLBMHT-RBUKOAKNSA-N 2 1 343.471 1.537 20 0 EDADMP O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000581058325 322129750 /nfs/dbraw/zinc/12/97/50/322129750.db2.gz SGFAWRGFHLBMHT-RBUKOAKNSA-N 2 1 343.471 1.537 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000581245615 322153588 /nfs/dbraw/zinc/15/35/88/322153588.db2.gz CYLFMWKRXOSROF-RDJZCZTQSA-N 2 1 347.459 1.562 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000581245615 322153591 /nfs/dbraw/zinc/15/35/91/322153591.db2.gz CYLFMWKRXOSROF-RDJZCZTQSA-N 2 1 347.459 1.562 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)CCCC[NH3+])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000581308414 322162142 /nfs/dbraw/zinc/16/21/42/322162142.db2.gz MUGLZWFASDUUDO-KRWDZBQOSA-N 2 1 346.475 1.920 20 0 EDADMP Cc1nc2cc(NC(=O)C(=O)N(C)C[C@H]3CCC[N@H+]3C)ccc2n1C ZINC000581660700 322204617 /nfs/dbraw/zinc/20/46/17/322204617.db2.gz WBIBJNOEHOJUPF-CQSZACIVSA-N 2 1 343.431 1.373 20 0 EDADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000329253126 444513595 /nfs/dbraw/zinc/51/35/95/444513595.db2.gz YXRICVKSCRTZTR-CZUORRHYSA-N 2 1 346.431 1.697 20 0 EDADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000329253126 444513598 /nfs/dbraw/zinc/51/35/98/444513598.db2.gz YXRICVKSCRTZTR-CZUORRHYSA-N 2 1 346.431 1.697 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000340875005 444554345 /nfs/dbraw/zinc/55/43/45/444554345.db2.gz DZQUTYBCOYMETO-ZJIFWQFVSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000340875005 444554347 /nfs/dbraw/zinc/55/43/47/444554347.db2.gz DZQUTYBCOYMETO-ZJIFWQFVSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000340912242 444571524 /nfs/dbraw/zinc/57/15/24/444571524.db2.gz FRLQZGOFTHJOFW-QAPCUYQASA-N 2 1 331.460 1.354 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000338321179 444630382 /nfs/dbraw/zinc/63/03/82/444630382.db2.gz ONIJRFHBAVBJOM-INIZCTEOSA-N 2 1 348.491 1.658 20 0 EDADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000342260956 444596838 /nfs/dbraw/zinc/59/68/38/444596838.db2.gz QBDHUKABDBYINT-ROUUACIJSA-N 2 1 333.476 1.327 20 0 EDADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000342260956 444596840 /nfs/dbraw/zinc/59/68/40/444596840.db2.gz QBDHUKABDBYINT-ROUUACIJSA-N 2 1 333.476 1.327 20 0 EDADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000342260956 444596841 /nfs/dbraw/zinc/59/68/41/444596841.db2.gz QBDHUKABDBYINT-ROUUACIJSA-N 2 1 333.476 1.327 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000342288864 444614943 /nfs/dbraw/zinc/61/49/43/444614943.db2.gz ADMJCIGYCKJOHO-DLBZAZTESA-N 2 1 339.528 1.138 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000338300361 444618226 /nfs/dbraw/zinc/61/82/26/444618226.db2.gz GWOOLHNMGGJXBY-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000338300361 444618231 /nfs/dbraw/zinc/61/82/31/444618231.db2.gz GWOOLHNMGGJXBY-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000338300361 444618235 /nfs/dbraw/zinc/61/82/35/444618235.db2.gz GWOOLHNMGGJXBY-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H]1CCCN1C(=O)CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343919648 444668411 /nfs/dbraw/zinc/66/84/11/444668411.db2.gz GXELZUDWBDMLJE-SQNIBIBYSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)[C@H](C)C[NH2+]1 ZINC000333858939 444703740 /nfs/dbraw/zinc/70/37/40/444703740.db2.gz YXMAUFGOSPFDIP-PNBKFKSVSA-N 2 1 348.495 1.195 20 0 EDADMP CC(=O)Nc1cccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000333891198 444709963 /nfs/dbraw/zinc/70/99/63/444709963.db2.gz XDFGCCJVZXGDJW-MSOLQXFVSA-N 2 1 329.444 1.845 20 0 EDADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333893269 444710288 /nfs/dbraw/zinc/71/02/88/444710288.db2.gz HKAHLMYKJPUVCK-JKSUJKDBSA-N 2 1 338.496 1.413 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)NCC[N@@H+](C)CCCOC)CC1 ZINC000341199390 444723913 /nfs/dbraw/zinc/72/39/13/444723913.db2.gz KIYXLEJAIHPVNN-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000333946518 444726205 /nfs/dbraw/zinc/72/62/05/444726205.db2.gz USEDECSVEFXNTC-OWCLPIDISA-N 2 1 340.512 1.421 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@@H]1CC ZINC000341204657 444728058 /nfs/dbraw/zinc/72/80/58/444728058.db2.gz QAYVGVTXNVQBLE-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H]1CC ZINC000341204657 444728059 /nfs/dbraw/zinc/72/80/59/444728059.db2.gz QAYVGVTXNVQBLE-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H]1CC ZINC000341204657 444728060 /nfs/dbraw/zinc/72/80/60/444728060.db2.gz QAYVGVTXNVQBLE-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000344013412 444728182 /nfs/dbraw/zinc/72/81/82/444728182.db2.gz OYGARJFHVOFNPP-CVEARBPZSA-N 2 1 343.537 1.383 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CCCO[C@@H](C[NH3+])C2)[C@@H]1c1ccccc1 ZINC000333781409 444696898 /nfs/dbraw/zinc/69/68/98/444696898.db2.gz KWPCYUXHRKBDSH-ULQDDVLXSA-N 2 1 332.448 1.191 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000342549654 444740867 /nfs/dbraw/zinc/74/08/67/444740867.db2.gz WYKXGSNBZBTIHE-HRCADAONSA-N 2 1 325.497 1.865 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000342549654 444740869 /nfs/dbraw/zinc/74/08/69/444740869.db2.gz WYKXGSNBZBTIHE-HRCADAONSA-N 2 1 325.497 1.865 20 0 EDADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000341257907 444751546 /nfs/dbraw/zinc/75/15/46/444751546.db2.gz KLSSCONRJZXNAL-NVXWUHKLSA-N 2 1 330.476 1.883 20 0 EDADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCOC)C1)c1ccccc1 ZINC000341273536 444757005 /nfs/dbraw/zinc/75/70/05/444757005.db2.gz BURVFJFDOHTXPW-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000342686517 444814019 /nfs/dbraw/zinc/81/40/19/444814019.db2.gz ANUUDQKNUWMYJF-ZDUSSCGKSA-N 2 1 341.406 1.723 20 0 EDADMP COC[C@H]1C[C@@H](OC)C[N@H+]1C/C=C\C[NH+]1C[C@@H](OC)C[C@H]1COC ZINC000344360332 444918871 /nfs/dbraw/zinc/91/88/71/444918871.db2.gz WYRWTYHIGGROOJ-HMBYZQHASA-N 2 1 342.480 1.014 20 0 EDADMP COC[C@H]1C[C@@H](OC)C[NH+]1C/C=C\C[N@@H+]1C[C@@H](OC)C[C@H]1COC ZINC000344360332 444918874 /nfs/dbraw/zinc/91/88/74/444918874.db2.gz WYRWTYHIGGROOJ-HMBYZQHASA-N 2 1 342.480 1.014 20 0 EDADMP COC[C@H]1C[C@@H](OC)C[NH+]1C/C=C\C[N@H+]1C[C@@H](OC)C[C@H]1COC ZINC000344360332 444918875 /nfs/dbraw/zinc/91/88/75/444918875.db2.gz WYRWTYHIGGROOJ-HMBYZQHASA-N 2 1 342.480 1.014 20 0 EDADMP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000342954414 444963913 /nfs/dbraw/zinc/96/39/13/444963913.db2.gz BWMAGPGVWVJHCV-MOPGFXCFSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000342954414 444963918 /nfs/dbraw/zinc/96/39/18/444963918.db2.gz BWMAGPGVWVJHCV-MOPGFXCFSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000342954414 444963920 /nfs/dbraw/zinc/96/39/20/444963920.db2.gz BWMAGPGVWVJHCV-MOPGFXCFSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000342954414 444963923 /nfs/dbraw/zinc/96/39/23/444963923.db2.gz BWMAGPGVWVJHCV-MOPGFXCFSA-N 2 1 345.487 1.614 20 0 EDADMP CC(C)[NH+]1CCC(N2CC[NH+](CCN3CCO[C@H](C)C3)CC2)CC1 ZINC000337318875 445030907 /nfs/dbraw/zinc/03/09/07/445030907.db2.gz NDVYRSBJGZGSSZ-GOSISDBHSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000341749944 444984394 /nfs/dbraw/zinc/98/43/94/444984394.db2.gz WGLMAZRTJDLDIL-IEBWSBKVSA-N 2 1 344.503 1.513 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000337369607 445051804 /nfs/dbraw/zinc/05/18/04/445051804.db2.gz OLSOWHONYMGESV-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000337369607 445051808 /nfs/dbraw/zinc/05/18/08/445051808.db2.gz OLSOWHONYMGESV-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CC[C@H](CNC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000337337968 445038379 /nfs/dbraw/zinc/03/83/79/445038379.db2.gz FHKPVCXBNJTVNM-GOSISDBHSA-N 2 1 330.476 1.780 20 0 EDADMP CC[C@H](CNC(=O)N1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000337337968 445038381 /nfs/dbraw/zinc/03/83/81/445038381.db2.gz FHKPVCXBNJTVNM-GOSISDBHSA-N 2 1 330.476 1.780 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc(F)cc1 ZINC000343199638 445130035 /nfs/dbraw/zinc/13/00/35/445130035.db2.gz FQUWJOVEMATHHT-HOTGVXAUSA-N 2 1 339.480 1.982 20 0 EDADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000337479096 445099042 /nfs/dbraw/zinc/09/90/42/445099042.db2.gz ZURUFGADOGVFAK-SFHVURJKSA-N 2 1 346.519 1.775 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000343176313 445116526 /nfs/dbraw/zinc/11/65/26/445116526.db2.gz ZXDVNLROUKYPBH-HOTGVXAUSA-N 2 1 340.512 1.023 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000343177390 445118246 /nfs/dbraw/zinc/11/82/46/445118246.db2.gz KCFBQWAGEKAOJC-JKSUJKDBSA-N 2 1 340.512 1.071 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342083876 445163381 /nfs/dbraw/zinc/16/33/81/445163381.db2.gz KZKOYASBCZTASG-CLWVCHIJSA-N 2 1 345.443 1.844 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342083876 445163384 /nfs/dbraw/zinc/16/33/84/445163384.db2.gz KZKOYASBCZTASG-CLWVCHIJSA-N 2 1 345.443 1.844 20 0 EDADMP COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000342097493 445170713 /nfs/dbraw/zinc/17/07/13/445170713.db2.gz HVPGHJXNATZXDK-QEJZJMRPSA-N 2 1 333.432 1.702 20 0 EDADMP COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000342097493 445170718 /nfs/dbraw/zinc/17/07/18/445170718.db2.gz HVPGHJXNATZXDK-QEJZJMRPSA-N 2 1 333.432 1.702 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342100392 445172026 /nfs/dbraw/zinc/17/20/26/445172026.db2.gz KDMACEMMRCQJSC-IPMKNSEASA-N 2 1 345.487 1.899 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342100392 445172028 /nfs/dbraw/zinc/17/20/28/445172028.db2.gz KDMACEMMRCQJSC-IPMKNSEASA-N 2 1 345.487 1.899 20 0 EDADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000343439712 445222871 /nfs/dbraw/zinc/22/28/71/445222871.db2.gz FUOFNZCEBUVMQR-YOEHRIQHSA-N 2 1 349.450 1.999 20 0 EDADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000343439712 445222873 /nfs/dbraw/zinc/22/28/73/445222873.db2.gz FUOFNZCEBUVMQR-YOEHRIQHSA-N 2 1 349.450 1.999 20 0 EDADMP Cn1nccc1[C@@H]1[C@H](C[N@@H+](C)CCN2CCCC2=O)CCCN1C ZINC000346900213 445227488 /nfs/dbraw/zinc/22/74/88/445227488.db2.gz VLTYEGYHWCEIFG-YJBOKZPZSA-N 2 1 333.480 1.357 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)CC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000346860953 445226493 /nfs/dbraw/zinc/22/64/93/445226493.db2.gz CZZGIZNEIXJJIP-HUUCEWRRSA-N 2 1 325.497 1.722 20 0 EDADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000343517957 445237417 /nfs/dbraw/zinc/23/74/17/445237417.db2.gz XNUAPXUHOZEFMT-CZUORRHYSA-N 2 1 349.450 1.999 20 0 EDADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000343517957 445237418 /nfs/dbraw/zinc/23/74/18/445237418.db2.gz XNUAPXUHOZEFMT-CZUORRHYSA-N 2 1 349.450 1.999 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)[N@@H+](C)C1 ZINC000347534462 445242252 /nfs/dbraw/zinc/24/22/52/445242252.db2.gz AAMWXXATCONZFM-ZJIFWQFVSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000343554045 445242986 /nfs/dbraw/zinc/24/29/86/445242986.db2.gz VPMPYFSCCPRTSZ-LMMKCTJWSA-N 2 1 344.503 1.701 20 0 EDADMP Cc1nc(CN2C[C@@H](F)C[C@@H]2C[N@H+](C)CCn2cc[nH+]c2C)no1 ZINC000348184429 445308683 /nfs/dbraw/zinc/30/86/83/445308683.db2.gz WXBOWXBXMGSRKQ-LSDHHAIUSA-N 2 1 336.415 1.427 20 0 EDADMP Cc1nc(CN2C[C@@H](F)C[C@@H]2C[N@@H+](C)CCn2cc[nH+]c2C)no1 ZINC000348184429 445308685 /nfs/dbraw/zinc/30/86/85/445308685.db2.gz WXBOWXBXMGSRKQ-LSDHHAIUSA-N 2 1 336.415 1.427 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC000354532675 445283545 /nfs/dbraw/zinc/28/35/45/445283545.db2.gz KKXUHOLSMBAHME-NJINODPHSA-N 2 1 340.512 1.203 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000351852271 445343475 /nfs/dbraw/zinc/34/34/75/445343475.db2.gz MGYWNFDCZPMKOI-MJGOQNOKSA-N 2 1 344.503 1.308 20 0 EDADMP CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000351853514 445343831 /nfs/dbraw/zinc/34/38/31/445343831.db2.gz OKSUYFFSNVVLRP-YCPHGPKFSA-N 2 1 349.475 1.940 20 0 EDADMP CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000351853514 445343833 /nfs/dbraw/zinc/34/38/33/445343833.db2.gz OKSUYFFSNVVLRP-YCPHGPKFSA-N 2 1 349.475 1.940 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000351860948 445345831 /nfs/dbraw/zinc/34/58/31/445345831.db2.gz JRTFVDHXFGJUPF-MELADBBJSA-N 2 1 335.448 1.550 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000351860948 445345833 /nfs/dbraw/zinc/34/58/33/445345833.db2.gz JRTFVDHXFGJUPF-MELADBBJSA-N 2 1 335.448 1.550 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000351860563 445345919 /nfs/dbraw/zinc/34/59/19/445345919.db2.gz JDRNGAWWMCCNRY-IPYPFGDCSA-N 2 1 337.439 1.850 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000351860563 445345920 /nfs/dbraw/zinc/34/59/20/445345920.db2.gz JDRNGAWWMCCNRY-IPYPFGDCSA-N 2 1 337.439 1.850 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000359742454 445402853 /nfs/dbraw/zinc/40/28/53/445402853.db2.gz JLMVLRAAODFXJT-DOTOQJQBSA-N 2 1 325.497 1.866 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000359742454 445402858 /nfs/dbraw/zinc/40/28/58/445402858.db2.gz JLMVLRAAODFXJT-DOTOQJQBSA-N 2 1 325.497 1.866 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000359742454 445402861 /nfs/dbraw/zinc/40/28/61/445402861.db2.gz JLMVLRAAODFXJT-DOTOQJQBSA-N 2 1 325.497 1.866 20 0 EDADMP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000354836091 445417033 /nfs/dbraw/zinc/41/70/33/445417033.db2.gz AVXFHGJMXBNWEW-RTBURBONSA-N 2 1 344.503 1.574 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000352073618 445473739 /nfs/dbraw/zinc/47/37/39/445473739.db2.gz HTBOWDSBQISTOP-HNNXBMFYSA-N 2 1 326.485 1.294 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000354981440 445437988 /nfs/dbraw/zinc/43/79/88/445437988.db2.gz YAXOUVBUUCHWAH-NCOADZHNSA-N 2 1 325.497 1.530 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000354981440 445437989 /nfs/dbraw/zinc/43/79/89/445437989.db2.gz YAXOUVBUUCHWAH-NCOADZHNSA-N 2 1 325.497 1.530 20 0 EDADMP CC[N@H+]1C[C@H](C)N(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000355067786 445442502 /nfs/dbraw/zinc/44/25/02/445442502.db2.gz YNIIAIRKDXOGGX-ZIFCJYIRSA-N 2 1 346.519 1.820 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362564831 445442776 /nfs/dbraw/zinc/44/27/76/445442776.db2.gz OHQIKIBRDSVIHH-HUUCEWRRSA-N 2 1 333.480 1.729 20 0 EDADMP C[NH2+][C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000357170327 445465378 /nfs/dbraw/zinc/46/53/78/445465378.db2.gz DXPZMPXZZHSSHM-UXLLHSPISA-N 2 1 335.496 1.555 20 0 EDADMP C[NH2+][C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000357170327 445465381 /nfs/dbraw/zinc/46/53/81/445465381.db2.gz DXPZMPXZZHSSHM-UXLLHSPISA-N 2 1 335.496 1.555 20 0 EDADMP C[C@@H]1CCC[N@H+](CCCCNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000352409855 445527754 /nfs/dbraw/zinc/52/77/54/445527754.db2.gz MGSHPFQEYWSZGP-MRXNPFEDSA-N 2 1 333.480 2.237 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000352409855 445527758 /nfs/dbraw/zinc/52/77/58/445527758.db2.gz MGSHPFQEYWSZGP-MRXNPFEDSA-N 2 1 333.480 2.237 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000359927267 445492609 /nfs/dbraw/zinc/49/26/09/445492609.db2.gz XDPWFDYEAHPJFS-IAGOWNOFSA-N 2 1 342.528 1.499 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCSC1 ZINC000362759311 445536173 /nfs/dbraw/zinc/53/61/73/445536173.db2.gz ZBNLHMNXQVCXSC-INMHGKMJSA-N 2 1 340.537 1.549 20 0 EDADMP CC[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000357250016 445507355 /nfs/dbraw/zinc/50/73/55/445507355.db2.gz SWSIOXNCGQEGLY-ZYSHUDEJSA-N 2 1 345.487 1.638 20 0 EDADMP CC[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000357250016 445507359 /nfs/dbraw/zinc/50/73/59/445507359.db2.gz SWSIOXNCGQEGLY-ZYSHUDEJSA-N 2 1 345.487 1.638 20 0 EDADMP COC[C@@]1(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CCC[NH2+]1 ZINC000357250399 445507493 /nfs/dbraw/zinc/50/74/93/445507493.db2.gz ATAWSVTYQQDAGJ-WBVHZDCISA-N 2 1 339.867 1.828 20 0 EDADMP CC[NH+]1CCN(CC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000360080747 445557018 /nfs/dbraw/zinc/55/70/18/445557018.db2.gz AXIAUZXMBHQLHZ-KRWDZBQOSA-N 2 1 344.503 1.187 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc2c1OCCCO2 ZINC000349295443 445557486 /nfs/dbraw/zinc/55/74/86/445557486.db2.gz JIQFUZFCLBWUGD-UHFFFAOYSA-N 2 1 333.476 1.917 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000353108109 445574973 /nfs/dbraw/zinc/57/49/73/445574973.db2.gz FHLAKCTVHZDCNO-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC[NH+](CC)C(C)C ZINC000349439913 445588032 /nfs/dbraw/zinc/58/80/32/445588032.db2.gz ZWIRUEGFJLRJDO-MRXNPFEDSA-N 2 1 340.512 1.214 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@H+](CC)C(C)C ZINC000349439913 445588036 /nfs/dbraw/zinc/58/80/36/445588036.db2.gz ZWIRUEGFJLRJDO-MRXNPFEDSA-N 2 1 340.512 1.214 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000349439913 445588040 /nfs/dbraw/zinc/58/80/40/445588040.db2.gz ZWIRUEGFJLRJDO-MRXNPFEDSA-N 2 1 340.512 1.214 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000362772201 445542956 /nfs/dbraw/zinc/54/29/56/445542956.db2.gz DYTJSIYPPYSUAU-QFBILLFUSA-N 2 1 345.487 1.975 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000349501028 445599611 /nfs/dbraw/zinc/59/96/11/445599611.db2.gz PVNCPKHPRFVAPH-VQIMIIECSA-N 2 1 325.460 1.792 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C(C)C)C1 ZINC000358157254 445607984 /nfs/dbraw/zinc/60/79/84/445607984.db2.gz HDKAZAKKAHKEPF-JKSUJKDBSA-N 2 1 328.501 1.371 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000358157254 445607989 /nfs/dbraw/zinc/60/79/89/445607989.db2.gz HDKAZAKKAHKEPF-JKSUJKDBSA-N 2 1 328.501 1.371 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000358157254 445607991 /nfs/dbraw/zinc/60/79/91/445607991.db2.gz HDKAZAKKAHKEPF-JKSUJKDBSA-N 2 1 328.501 1.371 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H]21 ZINC000353502889 445632465 /nfs/dbraw/zinc/63/24/65/445632465.db2.gz MQSIPXBORHEYDN-HJWJTTGWSA-N 2 1 348.443 1.617 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000353505584 445634097 /nfs/dbraw/zinc/63/40/97/445634097.db2.gz HYBOKJRZGZDBQA-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000353505584 445634099 /nfs/dbraw/zinc/63/40/99/445634099.db2.gz HYBOKJRZGZDBQA-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C2 ZINC000356168682 445659009 /nfs/dbraw/zinc/65/90/09/445659009.db2.gz KGFOCRSXQNRDIF-ZBFHGGJFSA-N 2 1 334.464 1.371 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C2 ZINC000356168682 445659010 /nfs/dbraw/zinc/65/90/10/445659010.db2.gz KGFOCRSXQNRDIF-ZBFHGGJFSA-N 2 1 334.464 1.371 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C2 ZINC000356168679 445659083 /nfs/dbraw/zinc/65/90/83/445659083.db2.gz KGFOCRSXQNRDIF-GOEBONIOSA-N 2 1 334.464 1.371 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C2 ZINC000356168679 445659087 /nfs/dbraw/zinc/65/90/87/445659087.db2.gz KGFOCRSXQNRDIF-GOEBONIOSA-N 2 1 334.464 1.371 20 0 EDADMP C[N@@H+]1CC[C@@H](c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)C1 ZINC000349737293 445660592 /nfs/dbraw/zinc/66/05/92/445660592.db2.gz GDKGWJMAHLPOPE-MRXNPFEDSA-N 2 1 328.416 1.988 20 0 EDADMP C[N@H+]1CC[C@@H](c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)C1 ZINC000349737293 445660594 /nfs/dbraw/zinc/66/05/94/445660594.db2.gz GDKGWJMAHLPOPE-MRXNPFEDSA-N 2 1 328.416 1.988 20 0 EDADMP C[C@H]1COCCN1CCNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000356180249 445664506 /nfs/dbraw/zinc/66/45/06/445664506.db2.gz IWOFQIUJIYBDAS-INIZCTEOSA-N 2 1 334.464 1.138 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000356204965 445674297 /nfs/dbraw/zinc/67/42/97/445674297.db2.gz KUPYIYOMJURQGM-INIZCTEOSA-N 2 1 341.544 1.384 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000356204965 445674299 /nfs/dbraw/zinc/67/42/99/445674299.db2.gz KUPYIYOMJURQGM-INIZCTEOSA-N 2 1 341.544 1.384 20 0 EDADMP C[NH+](C)CCN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000356287847 445719651 /nfs/dbraw/zinc/71/96/51/445719651.db2.gz YZSRAYRETUAMGC-UHFFFAOYSA-N 2 1 344.503 1.357 20 0 EDADMP CN(C)c1ncc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)s1 ZINC000353669202 445700350 /nfs/dbraw/zinc/70/03/50/445700350.db2.gz CGBMCHHTVZYJTD-UHFFFAOYSA-N 2 1 339.509 1.291 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000349915982 445720667 /nfs/dbraw/zinc/72/06/67/445720667.db2.gz NXJGWOVWBYLKEQ-DOTOQJQBSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000349915982 445720670 /nfs/dbraw/zinc/72/06/70/445720670.db2.gz NXJGWOVWBYLKEQ-DOTOQJQBSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000349915982 445720675 /nfs/dbraw/zinc/72/06/75/445720675.db2.gz NXJGWOVWBYLKEQ-DOTOQJQBSA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)C(C)C ZINC000349757019 445668089 /nfs/dbraw/zinc/66/80/89/445668089.db2.gz JQLFKGPKWCTNEY-HNNXBMFYSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)C(C)C ZINC000349757019 445668094 /nfs/dbraw/zinc/66/80/94/445668094.db2.gz JQLFKGPKWCTNEY-HNNXBMFYSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)C(C)C ZINC000349757019 445668097 /nfs/dbraw/zinc/66/80/97/445668097.db2.gz JQLFKGPKWCTNEY-HNNXBMFYSA-N 2 1 340.512 1.070 20 0 EDADMP C[NH+]1CCC(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000360890435 445737716 /nfs/dbraw/zinc/73/77/16/445737716.db2.gz YNNBUJXYPNTCSC-IAGOWNOFSA-N 2 1 338.496 1.271 20 0 EDADMP CC[C@@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+](C)Cc1ccccc1 ZINC000353769696 445747183 /nfs/dbraw/zinc/74/71/83/445747183.db2.gz DXADHVFMZDIMRQ-KRWDZBQOSA-N 2 1 343.475 2.294 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@H](O)Cc3ccccc3)C2)CC1 ZINC000363481454 445823332 /nfs/dbraw/zinc/82/33/32/445823332.db2.gz SCGAIBIRDOCLMQ-WOJBJXKFSA-N 2 1 331.504 1.549 20 0 EDADMP C[C@@H](C(=O)N(C)C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358876802 445826904 /nfs/dbraw/zinc/82/69/04/445826904.db2.gz VHGNTWDIUIJXFO-XHSDSOJGSA-N 2 1 341.496 1.053 20 0 EDADMP C[C@@H](C(=O)N(C)C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358876802 445826905 /nfs/dbraw/zinc/82/69/05/445826905.db2.gz VHGNTWDIUIJXFO-XHSDSOJGSA-N 2 1 341.496 1.053 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)/C=C/C[NH+](C)C)CC2)oc1C ZINC000363352790 445777894 /nfs/dbraw/zinc/77/78/94/445777894.db2.gz OMFKAEQSLGGLGH-AATRIKPKSA-N 2 1 334.464 1.737 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCO[C@H]3CCCCO3)C2)CC1 ZINC000358804103 445783364 /nfs/dbraw/zinc/78/33/64/445783364.db2.gz IIPRFYVHDJTDEO-ROUUACIJSA-N 2 1 325.497 1.632 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000350204860 445792822 /nfs/dbraw/zinc/79/28/22/445792822.db2.gz GDXHKTWQTGLSGT-BRWVUGGUSA-N 2 1 341.496 1.103 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCCC1 ZINC000358831134 445798522 /nfs/dbraw/zinc/79/85/22/445798522.db2.gz PSBWPUONKSTFKZ-IAGOWNOFSA-N 2 1 339.528 1.042 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(C(=O)NC)c2)C1 ZINC000350244488 445799105 /nfs/dbraw/zinc/79/91/05/445799105.db2.gz DBLCIWNPIQUKJZ-GOSISDBHSA-N 2 1 333.476 1.979 20 0 EDADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000353904068 445807103 /nfs/dbraw/zinc/80/71/03/445807103.db2.gz RCCJQQSGQQJAAY-OAHLLOKOSA-N 2 1 348.495 1.358 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)NCC[N@@H+](C)C3CC3)C2)nc(C)[nH+]1 ZINC000363527509 445845203 /nfs/dbraw/zinc/84/52/03/445845203.db2.gz KYFBWHNTJGQQTK-OAHLLOKOSA-N 2 1 346.479 1.456 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)NCC[N@H+](C)C3CC3)C2)nc(C)[nH+]1 ZINC000363527509 445845206 /nfs/dbraw/zinc/84/52/06/445845206.db2.gz KYFBWHNTJGQQTK-OAHLLOKOSA-N 2 1 346.479 1.456 20 0 EDADMP C[C@H]1CC[N@H+](C)CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000354010244 445854325 /nfs/dbraw/zinc/85/43/25/445854325.db2.gz XGWYCQUZHLNYGC-SFHVURJKSA-N 2 1 344.503 1.357 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000354010244 445854326 /nfs/dbraw/zinc/85/43/26/445854326.db2.gz XGWYCQUZHLNYGC-SFHVURJKSA-N 2 1 344.503 1.357 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000356559805 445859247 /nfs/dbraw/zinc/85/92/47/445859247.db2.gz XBOXJTLIVHYXCC-INIZCTEOSA-N 2 1 340.512 1.023 20 0 EDADMP C[C@@]1(O)CCC[NH+](CCOCC[N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000369129408 445944019 /nfs/dbraw/zinc/94/40/19/445944019.db2.gz DQTPCAJCAUQGPI-QZTJIDSGSA-N 2 1 328.497 1.477 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000354088652 445894937 /nfs/dbraw/zinc/89/49/37/445894937.db2.gz SWAPRNZUAWZAOL-INIZCTEOSA-N 2 1 336.480 1.649 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000354088652 445894942 /nfs/dbraw/zinc/89/49/42/445894942.db2.gz SWAPRNZUAWZAOL-INIZCTEOSA-N 2 1 336.480 1.649 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(C)c(C)nc1C ZINC000361761238 445922012 /nfs/dbraw/zinc/92/20/12/445922012.db2.gz WSCNBHVDCVYDSF-QGZVFWFLSA-N 2 1 347.507 1.890 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccc(F)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366001161 445954221 /nfs/dbraw/zinc/95/42/21/445954221.db2.gz PBOHGUMELJORAS-OAHLLOKOSA-N 2 1 330.407 1.833 20 0 EDADMP C[N@H+](CC(=O)NCc1ccc(F)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366001161 445954226 /nfs/dbraw/zinc/95/42/26/445954226.db2.gz PBOHGUMELJORAS-OAHLLOKOSA-N 2 1 330.407 1.833 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC(n3ccnc3)CC2)CCCO1 ZINC000372987042 445960554 /nfs/dbraw/zinc/96/05/54/445960554.db2.gz XKXJDWVYNCTXIK-INIZCTEOSA-N 2 1 349.479 1.731 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000361789032 445947651 /nfs/dbraw/zinc/94/76/51/445947651.db2.gz PVOQBRQORABNTO-IKGGRYGDSA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000361789032 445947652 /nfs/dbraw/zinc/94/76/52/445947652.db2.gz PVOQBRQORABNTO-IKGGRYGDSA-N 2 1 340.512 1.469 20 0 EDADMP CN(C)c1nc(N2CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)cc[nH+]1 ZINC000351224305 446013533 /nfs/dbraw/zinc/01/35/33/446013533.db2.gz JWMZMLUUXQVKDW-INIZCTEOSA-N 2 1 332.496 1.539 20 0 EDADMP CN(C)c1nc(N2CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)cc[nH+]1 ZINC000351224305 446013535 /nfs/dbraw/zinc/01/35/35/446013535.db2.gz JWMZMLUUXQVKDW-INIZCTEOSA-N 2 1 332.496 1.539 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CN(C)CCO2)CCN1CC[C@@H]1CCCC[N@@H+]1C ZINC000366162662 446053153 /nfs/dbraw/zinc/05/31/53/446053153.db2.gz HWHZSHCSWHPXES-QYZOEREBSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CN(C)CCO2)CCN1CC[C@@H]1CCCC[N@H+]1C ZINC000366162662 446053159 /nfs/dbraw/zinc/05/31/59/446053159.db2.gz HWHZSHCSWHPXES-QYZOEREBSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000583385643 326063569 /nfs/dbraw/zinc/06/35/69/326063569.db2.gz OUIFYVSDEDTMPA-DJIMGWMZSA-N 2 1 343.537 1.653 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@H]3CCC[NH2+]C3)c2)CCO1 ZINC000583489384 326081734 /nfs/dbraw/zinc/08/17/34/326081734.db2.gz WEFHJONWMNOMBJ-YJBOKZPZSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@H]3CCC[NH2+]C3)c2)CCO1 ZINC000583489384 326081735 /nfs/dbraw/zinc/08/17/35/326081735.db2.gz WEFHJONWMNOMBJ-YJBOKZPZSA-N 2 1 346.475 1.459 20 0 EDADMP CC[C@H](CNC(=O)NC[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000583682520 326117046 /nfs/dbraw/zinc/11/70/46/326117046.db2.gz ZFTNECUENGUHCO-QZTJIDSGSA-N 2 1 330.476 1.875 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1=O ZINC000365154457 446057327 /nfs/dbraw/zinc/05/73/27/446057327.db2.gz IGNZHNUMQSUTPA-ZBFHGGJFSA-N 2 1 333.480 1.304 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1=O ZINC000365154457 446057333 /nfs/dbraw/zinc/05/73/33/446057333.db2.gz IGNZHNUMQSUTPA-ZBFHGGJFSA-N 2 1 333.480 1.304 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)[C@H]([NH3+])CC(F)F)c2cccs2)CC1 ZINC000584228492 326223889 /nfs/dbraw/zinc/22/38/89/326223889.db2.gz ALMLHBOVHHSUHQ-VXGBXAGGSA-N 2 1 346.447 1.135 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)c2ccccc2)CC1 ZINC000584290864 326237159 /nfs/dbraw/zinc/23/71/59/326237159.db2.gz LJVCPEZCUNSIOB-GJZGRUSLSA-N 2 1 340.418 1.074 20 0 EDADMP Cn1cnc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000356874459 446088343 /nfs/dbraw/zinc/08/83/43/446088343.db2.gz QGXNZCRGWPIHEK-OKZBNKHCSA-N 2 1 325.460 1.858 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351486788 446088433 /nfs/dbraw/zinc/08/84/33/446088433.db2.gz AZTLWYYHCQLRSA-WLRQEKSISA-N 2 1 331.460 1.930 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351486788 446088436 /nfs/dbraw/zinc/08/84/36/446088436.db2.gz AZTLWYYHCQLRSA-WLRQEKSISA-N 2 1 331.460 1.930 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N3CCN(c4ccc(F)cc4)CC3)C[C@@H]12 ZINC000351490066 446091283 /nfs/dbraw/zinc/09/12/83/446091283.db2.gz HSTIIBAZOYZBFT-BMGDILEWSA-N 2 1 346.450 1.143 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CCN(c4ccc(F)cc4)CC3)C[C@@H]12 ZINC000351490066 446091289 /nfs/dbraw/zinc/09/12/89/446091289.db2.gz HSTIIBAZOYZBFT-BMGDILEWSA-N 2 1 346.450 1.143 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000359262868 446098383 /nfs/dbraw/zinc/09/83/83/446098383.db2.gz HFLVYRNJOFBINM-JKSUJKDBSA-N 2 1 340.512 1.214 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCCSCCOC)CC2)C1 ZINC000373244721 446118703 /nfs/dbraw/zinc/11/87/03/446118703.db2.gz RNSZKMWLKBULBH-QGZVFWFLSA-N 2 1 345.553 1.094 20 0 EDADMP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CCCSCCOC)CC2)C1 ZINC000373244721 446118708 /nfs/dbraw/zinc/11/87/08/446118708.db2.gz RNSZKMWLKBULBH-QGZVFWFLSA-N 2 1 345.553 1.094 20 0 EDADMP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365361464 446168015 /nfs/dbraw/zinc/16/80/15/446168015.db2.gz WWDGTBOSJJMMNM-NJAFHUGGSA-N 2 1 345.512 1.987 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000351579101 446176557 /nfs/dbraw/zinc/17/65/57/446176557.db2.gz FJTDWXQVKOTIPP-UHFFFAOYSA-N 2 1 348.491 1.481 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000351579101 446176563 /nfs/dbraw/zinc/17/65/63/446176563.db2.gz FJTDWXQVKOTIPP-UHFFFAOYSA-N 2 1 348.491 1.481 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000351579101 446176569 /nfs/dbraw/zinc/17/65/69/446176569.db2.gz FJTDWXQVKOTIPP-UHFFFAOYSA-N 2 1 348.491 1.481 20 0 EDADMP CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351580128 446178282 /nfs/dbraw/zinc/17/82/82/446178282.db2.gz CVJZKTAZPOKWSP-HNNXBMFYSA-N 2 1 325.478 1.463 20 0 EDADMP CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351580128 446178288 /nfs/dbraw/zinc/17/82/88/446178288.db2.gz CVJZKTAZPOKWSP-HNNXBMFYSA-N 2 1 325.478 1.463 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000354407869 446183756 /nfs/dbraw/zinc/18/37/56/446183756.db2.gz KTTGFVAYQFNHCT-ROUUACIJSA-N 2 1 338.540 1.639 20 0 EDADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC[N@H+](C)CCOC ZINC000370183930 446188754 /nfs/dbraw/zinc/18/87/54/446188754.db2.gz KOULBVDQRUMPRO-OAHLLOKOSA-N 2 1 337.468 1.198 20 0 EDADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC[N@@H+](C)CCOC ZINC000370183930 446188760 /nfs/dbraw/zinc/18/87/60/446188760.db2.gz KOULBVDQRUMPRO-OAHLLOKOSA-N 2 1 337.468 1.198 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000359395701 446197830 /nfs/dbraw/zinc/19/78/30/446197830.db2.gz XPRXICGOGGYWNY-HNNXBMFYSA-N 2 1 348.516 1.855 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000359395701 446197835 /nfs/dbraw/zinc/19/78/35/446197835.db2.gz XPRXICGOGGYWNY-HNNXBMFYSA-N 2 1 348.516 1.855 20 0 EDADMP C[NH+](C)[C@@]1(C(=O)NCC[C@@H]2CCC[NH2+]C2)CCOc2ccccc21 ZINC000370265177 446202995 /nfs/dbraw/zinc/20/29/95/446202995.db2.gz FZOMCKKDGBVDBX-KXBFYZLASA-N 2 1 331.460 1.732 20 0 EDADMP C[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[NH+]1CCSCC1 ZINC000366650268 446294545 /nfs/dbraw/zinc/29/45/45/446294545.db2.gz DZFJFGJSZKCOHF-HNNXBMFYSA-N 2 1 325.522 1.901 20 0 EDADMP C[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+]1CCSCC1 ZINC000366650268 446294548 /nfs/dbraw/zinc/29/45/48/446294548.db2.gz DZFJFGJSZKCOHF-HNNXBMFYSA-N 2 1 325.522 1.901 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@@H](c2nccn2C)C1 ZINC000365554315 446252343 /nfs/dbraw/zinc/25/23/43/446252343.db2.gz ZMKQLLRLOYNELL-OAHLLOKOSA-N 2 1 330.436 1.904 20 0 EDADMP CC(C)[C@H](CO)[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000362191709 446253897 /nfs/dbraw/zinc/25/38/97/446253897.db2.gz RDHIGQBJVJSZKF-WMZOPIPTSA-N 2 1 333.476 1.498 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000362219895 446269596 /nfs/dbraw/zinc/26/95/96/446269596.db2.gz LWKBHYKKTHEOPW-FGTMMUONSA-N 2 1 325.497 1.188 20 0 EDADMP CCn1ccnc1CN1CCC[N@@H+](Cc2c[nH]c3nccnc23)CC1 ZINC000365656050 446289718 /nfs/dbraw/zinc/28/97/18/446289718.db2.gz JSOPINWNIXGBCN-UHFFFAOYSA-N 2 1 339.447 1.834 20 0 EDADMP CC[NH+]1CCC[C@@H](Nc2nc(C)nc(N[C@@H]3CCC[N@H+](CC)C3)n2)C1 ZINC000359589549 446307494 /nfs/dbraw/zinc/30/74/94/446307494.db2.gz JRCOXFQPOAGAMY-HZPDHXFCSA-N 2 1 347.511 1.972 20 0 EDADMP CCc1nc(CN2C[C@@H]3C[N@H+](CC[C@H]4CCCC[NH+]4C)C[C@@H]3C2)no1 ZINC000370503525 446308615 /nfs/dbraw/zinc/30/86/15/446308615.db2.gz UQZHJMIDOGZWJD-IXDOHACOSA-N 2 1 347.507 1.870 20 0 EDADMP CCc1nc(CN2C[C@@H]3C[NH+](CC[C@H]4CCCC[N@@H+]4C)C[C@@H]3C2)no1 ZINC000370503525 446308617 /nfs/dbraw/zinc/30/86/17/446308617.db2.gz UQZHJMIDOGZWJD-IXDOHACOSA-N 2 1 347.507 1.870 20 0 EDADMP CCc1nc(CN2C[C@@H]3C[NH+](CC[C@H]4CCCC[N@H+]4C)C[C@@H]3C2)no1 ZINC000370503525 446308620 /nfs/dbraw/zinc/30/86/20/446308620.db2.gz UQZHJMIDOGZWJD-IXDOHACOSA-N 2 1 347.507 1.870 20 0 EDADMP COc1ccc([C@@H]2[C@@H](CNC(=O)C[C@@H](C[NH3+])OC)CCC[N@H+]2C)cc1 ZINC000365709615 446309913 /nfs/dbraw/zinc/30/99/13/446309913.db2.gz DZUBOXJAOVHALK-HHXXYDBFSA-N 2 1 349.475 1.558 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@H]1SC ZINC000362322205 446319495 /nfs/dbraw/zinc/31/94/95/446319495.db2.gz MCVNYWNBOZEBAD-BYNSBNAKSA-N 2 1 329.510 1.072 20 0 EDADMP CCN1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000365765653 446333845 /nfs/dbraw/zinc/33/38/45/446333845.db2.gz FAILQRUSYJDIGC-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000365765653 446333848 /nfs/dbraw/zinc/33/38/48/446333848.db2.gz FAILQRUSYJDIGC-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000365765653 446333851 /nfs/dbraw/zinc/33/38/51/446333851.db2.gz FAILQRUSYJDIGC-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000365765653 446333854 /nfs/dbraw/zinc/33/38/54/446333854.db2.gz FAILQRUSYJDIGC-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000365765653 446333856 /nfs/dbraw/zinc/33/38/56/446333856.db2.gz FAILQRUSYJDIGC-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417911993 446383529 /nfs/dbraw/zinc/38/35/29/446383529.db2.gz IEZZJEXGAUXZRY-NVXWUHKLSA-N 2 1 328.476 1.840 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417911993 446383533 /nfs/dbraw/zinc/38/35/33/446383533.db2.gz IEZZJEXGAUXZRY-NVXWUHKLSA-N 2 1 328.476 1.840 20 0 EDADMP [NH3+][C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000417369913 446349403 /nfs/dbraw/zinc/34/94/03/446349403.db2.gz RYVCPMBZXLLKBZ-CJNGLKHVSA-N 2 1 336.505 1.997 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000370770652 446429031 /nfs/dbraw/zinc/42/90/31/446429031.db2.gz DVNXHRJWRNHYNK-OLMNPRSZSA-N 2 1 331.460 1.765 20 0 EDADMP O=C(Nc1ccn2ccnc2c1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000411215186 446429440 /nfs/dbraw/zinc/42/94/40/446429440.db2.gz QODLZNRRQFNCOV-AWEZNQCLSA-N 2 1 341.415 1.406 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CN1c1ccccc1F ZINC000423141169 446438385 /nfs/dbraw/zinc/43/83/85/446438385.db2.gz OIBREEQNXYRTOC-ABFRBSLYSA-N 2 1 347.434 1.678 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000370789274 446442753 /nfs/dbraw/zinc/44/27/53/446442753.db2.gz WMOUUZOKFHXTHO-SJORKVTESA-N 2 1 333.501 1.814 20 0 EDADMP CC[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000423170124 446445588 /nfs/dbraw/zinc/44/55/88/446445588.db2.gz LASIUYDVQGHAIN-DLBZAZTESA-N 2 1 325.497 1.378 20 0 EDADMP CCOC(=O)c1ccccc1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420281947 446448615 /nfs/dbraw/zinc/44/86/15/446448615.db2.gz AULMVGRDZXWHCY-ZDUSSCGKSA-N 2 1 333.432 1.861 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000417989595 446408667 /nfs/dbraw/zinc/40/86/67/446408667.db2.gz TYONWTKGYRRYST-WBVHZDCISA-N 2 1 334.464 1.185 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000417989472 446409297 /nfs/dbraw/zinc/40/92/97/446409297.db2.gz LJANGGUGBMZATA-MORSLUCNSA-N 2 1 346.475 1.962 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(CC[NH3+])CCO ZINC000418040438 446423099 /nfs/dbraw/zinc/42/30/99/446423099.db2.gz VRSPJSACTJYTBL-KRWDZBQOSA-N 2 1 336.480 1.106 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000370765540 446424278 /nfs/dbraw/zinc/42/42/78/446424278.db2.gz FTHZWBFURXFKKY-UHFFFAOYSA-N 2 1 344.503 1.017 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000370766140 446424323 /nfs/dbraw/zinc/42/43/23/446424323.db2.gz KBYJGRGKLVRUNK-CBZIJGRNSA-N 2 1 330.476 1.926 20 0 EDADMP C[C@]1(CNC(=O)NCC(F)(F)C[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000418049812 446425687 /nfs/dbraw/zinc/42/56/87/446425687.db2.gz YTQSIAOMEMZLHU-MRXNPFEDSA-N 2 1 340.418 1.934 20 0 EDADMP C[C@]1(CNC(=O)NCC(F)(F)C[NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000418049812 446425691 /nfs/dbraw/zinc/42/56/91/446425691.db2.gz YTQSIAOMEMZLHU-MRXNPFEDSA-N 2 1 340.418 1.934 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NCCC[C@H]2CCC[NH2+]2)n1 ZINC000420289533 446453869 /nfs/dbraw/zinc/45/38/69/446453869.db2.gz TWGVBRLOHNTSHQ-NUJGCVRESA-N 2 1 347.507 1.880 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[C@@H]1c1ccccc1 ZINC000418190168 446453862 /nfs/dbraw/zinc/45/38/62/446453862.db2.gz WEKLHSPBFYDITC-FSDCSDTHSA-N 2 1 334.464 1.483 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[C@@H]1c1ccccc1 ZINC000418190168 446453865 /nfs/dbraw/zinc/45/38/65/446453865.db2.gz WEKLHSPBFYDITC-FSDCSDTHSA-N 2 1 334.464 1.483 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(COc3ccccn3)CC2)CC1 ZINC000374917442 446457993 /nfs/dbraw/zinc/45/79/93/446457993.db2.gz UUCKWWKUISVSHX-UHFFFAOYSA-N 2 1 346.475 1.337 20 0 EDADMP CCOC1CC(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000376373396 446460742 /nfs/dbraw/zinc/46/07/42/446460742.db2.gz CJLYXTZQOZSXDZ-FUDRRUEFSA-N 2 1 335.492 1.571 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(C)s1 ZINC000420301354 446463099 /nfs/dbraw/zinc/46/30/99/446463099.db2.gz VPADYQHRCXHZJZ-LBPRGKRZSA-N 2 1 339.461 1.130 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000418231099 446466253 /nfs/dbraw/zinc/46/62/53/446466253.db2.gz FWHCAFJUJGKDBE-BMFZPTHFSA-N 2 1 326.485 1.253 20 0 EDADMP C[C@@]1(C[NH3+])CC[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420308823 446472030 /nfs/dbraw/zinc/47/20/30/446472030.db2.gz DLMUOMCDNPGSRA-INIZCTEOSA-N 2 1 325.478 1.119 20 0 EDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420308823 446472035 /nfs/dbraw/zinc/47/20/35/446472035.db2.gz DLMUOMCDNPGSRA-INIZCTEOSA-N 2 1 325.478 1.119 20 0 EDADMP CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000367030698 446476442 /nfs/dbraw/zinc/47/64/42/446476442.db2.gz RRNLQSJOQFCYAK-QFBILLFUSA-N 2 1 344.503 1.504 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000367030698 446476449 /nfs/dbraw/zinc/47/64/49/446476449.db2.gz RRNLQSJOQFCYAK-QFBILLFUSA-N 2 1 344.503 1.504 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCC[NH2+]C2CC2)C1 ZINC000418284074 446484497 /nfs/dbraw/zinc/48/44/97/446484497.db2.gz ASKNAVDXZYISES-KRWDZBQOSA-N 2 1 345.491 1.687 20 0 EDADMP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420322251 446487026 /nfs/dbraw/zinc/48/70/26/446487026.db2.gz SHDJSZXFTVDAJU-KBPBESRZSA-N 2 1 325.478 1.717 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCCC[NH2+]Cc3cccnc3)CC[C@H]21 ZINC000418330047 446501859 /nfs/dbraw/zinc/50/18/59/446501859.db2.gz PGXAXLCDJMZHOR-ZWKOTPCHSA-N 2 1 345.491 1.687 20 0 EDADMP COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420333692 446503325 /nfs/dbraw/zinc/50/33/25/446503325.db2.gz FPBDVDKQFWSHOF-GJZGRUSLSA-N 2 1 347.459 1.964 20 0 EDADMP C[C@@H](C(=O)NCc1cccs1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331982 446503501 /nfs/dbraw/zinc/50/35/01/446503501.db2.gz RCKOIFBQGWHONW-UONOGXRCSA-N 2 1 337.489 1.440 20 0 EDADMP C[C@@H](C(=O)NCc1cccs1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331982 446503506 /nfs/dbraw/zinc/50/35/06/446503506.db2.gz RCKOIFBQGWHONW-UONOGXRCSA-N 2 1 337.489 1.440 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H]1Cc1ccccc1 ZINC000418337176 446505753 /nfs/dbraw/zinc/50/57/53/446505753.db2.gz BHLTZKAWXBFPGA-RTBURBONSA-N 2 1 344.503 1.944 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H]1Cc1ccccc1 ZINC000418337176 446505755 /nfs/dbraw/zinc/50/57/55/446505755.db2.gz BHLTZKAWXBFPGA-RTBURBONSA-N 2 1 344.503 1.944 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1)Cc1ccccc1 ZINC000423394389 446515182 /nfs/dbraw/zinc/51/51/82/446515182.db2.gz ZOTSOWJGPXUGOX-QUCCMNQESA-N 2 1 342.487 1.015 20 0 EDADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC[NH2+]C ZINC000418317779 446497482 /nfs/dbraw/zinc/49/74/82/446497482.db2.gz BCAMVWVXATZILF-YJBOKZPZSA-N 2 1 347.507 1.851 20 0 EDADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC[NH2+]C ZINC000418317779 446497490 /nfs/dbraw/zinc/49/74/90/446497490.db2.gz BCAMVWVXATZILF-YJBOKZPZSA-N 2 1 347.507 1.851 20 0 EDADMP C[C@H]1CN(C(=O)NCCC[NH2+]Cc2cccnc2)CC[N@H+](C2CC2)C1 ZINC000418328313 446501084 /nfs/dbraw/zinc/50/10/84/446501084.db2.gz NPUDYXACVPUUQN-MRXNPFEDSA-N 2 1 345.491 1.687 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H](C)C[NH3+])CC2)cc1 ZINC000418478704 446558417 /nfs/dbraw/zinc/55/84/17/446558417.db2.gz XLITVRMVWBZDLP-HNNXBMFYSA-N 2 1 334.464 1.507 20 0 EDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)[C@@H]1C ZINC000423517301 446559482 /nfs/dbraw/zinc/55/94/82/446559482.db2.gz XVKSGYBLEJHOQD-VGAKTEPXSA-N 2 1 337.508 1.770 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000418480384 446559468 /nfs/dbraw/zinc/55/94/68/446559468.db2.gz CIMXAAHSOPEYEP-KKUMJFAQSA-N 2 1 334.464 1.303 20 0 EDADMP O=C(NCC1C[NH2+]C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418480657 446559602 /nfs/dbraw/zinc/55/96/02/446559602.db2.gz CCAWHOZSRPLGBA-MSOLQXFVSA-N 2 1 328.460 1.369 20 0 EDADMP CN(CC1CCCCC1)C(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420387767 446562819 /nfs/dbraw/zinc/56/28/19/446562819.db2.gz KXFHULOZEUEWNO-MSOLQXFVSA-N 2 1 349.519 1.726 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000418370099 446518197 /nfs/dbraw/zinc/51/81/97/446518197.db2.gz OUXLYKHUYFJLNZ-QGZVFWFLSA-N 2 1 347.507 1.306 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CCC3CC(F)(F)C3)cn2)CC1 ZINC000453592162 446566545 /nfs/dbraw/zinc/56/65/45/446566545.db2.gz SLROGRTUSWZMHI-UHFFFAOYSA-N 2 1 325.407 1.753 20 0 EDADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000420346931 446520566 /nfs/dbraw/zinc/52/05/66/446520566.db2.gz FCRDHEICVPQCAE-MSOLQXFVSA-N 2 1 344.503 1.918 20 0 EDADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000420346931 446520571 /nfs/dbraw/zinc/52/05/71/446520571.db2.gz FCRDHEICVPQCAE-MSOLQXFVSA-N 2 1 344.503 1.918 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420394005 446568643 /nfs/dbraw/zinc/56/86/43/446568643.db2.gz CHPCZNWQJKDMND-GRDNDAEWSA-N 2 1 347.459 1.395 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420394005 446568650 /nfs/dbraw/zinc/56/86/50/446568650.db2.gz CHPCZNWQJKDMND-GRDNDAEWSA-N 2 1 347.459 1.395 20 0 EDADMP O=C(CC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000420366347 446545992 /nfs/dbraw/zinc/54/59/92/446545992.db2.gz UCGVFFGHSYDJFK-MRXNPFEDSA-N 2 1 327.432 1.105 20 0 EDADMP CCOc1ccc(OCC[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420369738 446549425 /nfs/dbraw/zinc/54/94/25/446549425.db2.gz CAAIXKWUWSHSKF-MRXNPFEDSA-N 2 1 345.447 1.851 20 0 EDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000423473392 446550612 /nfs/dbraw/zinc/55/06/12/446550612.db2.gz YFECCFTZNWXQSC-BWDFJHHZSA-N 2 1 335.492 1.652 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000420373425 446551258 /nfs/dbraw/zinc/55/12/58/446551258.db2.gz ZEOAKGOZQSRDDU-KRWDZBQOSA-N 2 1 348.466 1.452 20 0 EDADMP COc1ccc(CCNC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000420372249 446551442 /nfs/dbraw/zinc/55/14/42/446551442.db2.gz QDRKVGQMDNWJSF-QGZVFWFLSA-N 2 1 349.475 1.340 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000418460730 446552540 /nfs/dbraw/zinc/55/25/40/446552540.db2.gz KIHHZXJWPJNPHX-XHSDSOJGSA-N 2 1 326.485 1.256 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000420376242 446552814 /nfs/dbraw/zinc/55/28/14/446552814.db2.gz QFHPRKXABZWRPJ-HZEGPAAWSA-N 2 1 343.515 1.866 20 0 EDADMP [NH3+]C[C@H](NC(=O)NC1CCC([NH+]2CCNCC2)CC1)C1CCCC1 ZINC000418603015 446611613 /nfs/dbraw/zinc/61/16/13/446611613.db2.gz WJKZZGUKJPEYGR-JCYILVPMSA-N 2 1 337.512 1.020 20 0 EDADMP O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418510494 446573332 /nfs/dbraw/zinc/57/33/32/446573332.db2.gz CEOYZCFRQXPHBF-KURKYZTESA-N 2 1 328.460 1.369 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)C[C@H]2CC[NH+](C)C2)CCCO1 ZINC000433450340 446574423 /nfs/dbraw/zinc/57/44/23/446574423.db2.gz MPPZRIMJUFIPOB-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC000433450340 446574431 /nfs/dbraw/zinc/57/44/31/446574431.db2.gz MPPZRIMJUFIPOB-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC000433450340 446574438 /nfs/dbraw/zinc/57/44/38/446574438.db2.gz MPPZRIMJUFIPOB-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP Cc1n[nH]cc1CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000375097985 446579206 /nfs/dbraw/zinc/57/92/06/446579206.db2.gz VYNVCTBNFHUBJH-SJPCQFCGSA-N 2 1 346.479 1.171 20 0 EDADMP C[C@@H]1CC[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000420413798 446586695 /nfs/dbraw/zinc/58/66/95/446586695.db2.gz TUFVXBMJOPACHV-CABCVRRESA-N 2 1 340.489 1.776 20 0 EDADMP C[C@@H]1CC[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000420413798 446586700 /nfs/dbraw/zinc/58/67/00/446586700.db2.gz TUFVXBMJOPACHV-CABCVRRESA-N 2 1 340.489 1.776 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000418554302 446592774 /nfs/dbraw/zinc/59/27/74/446592774.db2.gz CWWDNBXZGBSHHS-NJAFHUGGSA-N 2 1 330.476 1.553 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000418554302 446592780 /nfs/dbraw/zinc/59/27/80/446592780.db2.gz CWWDNBXZGBSHHS-NJAFHUGGSA-N 2 1 330.476 1.553 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC2(C[NH+](C)C)CCC2)cn1 ZINC000376592238 446595254 /nfs/dbraw/zinc/59/52/54/446595254.db2.gz YGONUJFUODQTHN-UHFFFAOYSA-N 2 1 342.447 1.859 20 0 EDADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000418658142 446637538 /nfs/dbraw/zinc/63/75/38/446637538.db2.gz JCSBGXCWBJRSDI-GCDKYVQMSA-N 2 1 334.508 1.746 20 0 EDADMP O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434351847 446637859 /nfs/dbraw/zinc/63/78/59/446637859.db2.gz LTKCMVDMYPXSPE-DLBZAZTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434351849 446637964 /nfs/dbraw/zinc/63/79/64/446637964.db2.gz LTKCMVDMYPXSPE-IRXDYDNUSA-N 2 1 338.496 1.149 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418684651 446646686 /nfs/dbraw/zinc/64/66/86/446646686.db2.gz LKEAAQHPVCQIJO-OKZBNKHCSA-N 2 1 330.476 1.868 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)[C@H](C)[NH3+] ZINC000418692846 446650735 /nfs/dbraw/zinc/65/07/35/446650735.db2.gz GGQGOFNGQXOJHA-NWDGAFQWSA-N 2 1 340.390 1.018 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000423738627 446670029 /nfs/dbraw/zinc/67/00/29/446670029.db2.gz UZZVDLOMBVVEAS-QUCCMNQESA-N 2 1 343.471 1.729 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418633316 446625417 /nfs/dbraw/zinc/62/54/17/446625417.db2.gz DDEGLKIMROWEBS-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C[NH3+])C(C)C)CC2)cn1 ZINC000423759950 446689560 /nfs/dbraw/zinc/68/95/60/446689560.db2.gz PKSQGOCECIEWHG-QGZVFWFLSA-N 2 1 335.496 1.558 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H](C[NH3+])C(C)C)CC2)cn1 ZINC000423759950 446689563 /nfs/dbraw/zinc/68/95/63/446689563.db2.gz PKSQGOCECIEWHG-QGZVFWFLSA-N 2 1 335.496 1.558 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)cn2)CC1 ZINC000375317243 446715910 /nfs/dbraw/zinc/71/59/10/446715910.db2.gz GISLRTFEKNAPNQ-DLBZAZTESA-N 2 1 331.464 1.372 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3[C@H]3CCCO3)cn2)CC1 ZINC000375317243 446715917 /nfs/dbraw/zinc/71/59/17/446715917.db2.gz GISLRTFEKNAPNQ-DLBZAZTESA-N 2 1 331.464 1.372 20 0 EDADMP CC(C)([NH3+])CNC(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000418815495 446720697 /nfs/dbraw/zinc/72/06/97/446720697.db2.gz KOCMMYYSXJSJND-IBGZPJMESA-N 2 1 346.475 1.011 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000423833584 446721050 /nfs/dbraw/zinc/72/10/50/446721050.db2.gz TUKBGAPTNLEGIU-ZTFGCOKTSA-N 2 1 329.444 1.699 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000423834631 446723311 /nfs/dbraw/zinc/72/33/11/446723311.db2.gz DHDLVLRMVRODHV-MIGBEJBISA-N 2 1 343.471 1.438 20 0 EDADMP CC[C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1[NH+]1CCOCC1 ZINC000423876071 446737475 /nfs/dbraw/zinc/73/74/75/446737475.db2.gz NMUMWRXECOOBLX-JRACIQGZSA-N 2 1 335.492 1.476 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C[C@H]1CCC[NH2+]1 ZINC000423753731 446684332 /nfs/dbraw/zinc/68/43/32/446684332.db2.gz XTUUVHBIADWXEX-HZPDHXFCSA-N 2 1 339.480 1.395 20 0 EDADMP C[N@H+]1CCC[C@H]1CCN1CCCN(c2ncccc2C(N)=O)CC1 ZINC000371322561 446773305 /nfs/dbraw/zinc/77/33/05/446773305.db2.gz ZUWQIRZRWASMBX-HNNXBMFYSA-N 2 1 331.464 1.177 20 0 EDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000371322561 446773311 /nfs/dbraw/zinc/77/33/11/446773311.db2.gz ZUWQIRZRWASMBX-HNNXBMFYSA-N 2 1 331.464 1.177 20 0 EDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000371322561 446773320 /nfs/dbraw/zinc/77/33/20/446773320.db2.gz ZUWQIRZRWASMBX-HNNXBMFYSA-N 2 1 331.464 1.177 20 0 EDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000371322561 446773326 /nfs/dbraw/zinc/77/33/26/446773326.db2.gz ZUWQIRZRWASMBX-HNNXBMFYSA-N 2 1 331.464 1.177 20 0 EDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000371322561 446773333 /nfs/dbraw/zinc/77/33/33/446773333.db2.gz ZUWQIRZRWASMBX-HNNXBMFYSA-N 2 1 331.464 1.177 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423933787 446785446 /nfs/dbraw/zinc/78/54/46/446785446.db2.gz SRDHEHCWYPYNLB-AOIWGVFYSA-N 2 1 331.460 1.707 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423933787 446785448 /nfs/dbraw/zinc/78/54/48/446785448.db2.gz SRDHEHCWYPYNLB-AOIWGVFYSA-N 2 1 331.460 1.707 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000423884427 446742047 /nfs/dbraw/zinc/74/20/47/446742047.db2.gz WEQCXOJMZNEJFP-SQNIBIBYSA-N 2 1 331.460 1.126 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)[nH+]c1 ZINC000368386247 446829331 /nfs/dbraw/zinc/82/93/31/446829331.db2.gz VMFCMIPNTOLNOB-IAGOWNOFSA-N 2 1 328.460 1.817 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000371424108 446846580 /nfs/dbraw/zinc/84/65/80/446846580.db2.gz MBQPGPHIWQWRII-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000371424108 446846586 /nfs/dbraw/zinc/84/65/86/446846586.db2.gz MBQPGPHIWQWRII-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000419016259 446868160 /nfs/dbraw/zinc/86/81/60/446868160.db2.gz FRNWEBXCVPNFCV-WMLDXEAASA-N 2 1 346.475 1.011 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000368454860 446872462 /nfs/dbraw/zinc/87/24/62/446872462.db2.gz MHTURTNXURFEIC-GOSISDBHSA-N 2 1 333.476 1.734 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000368454860 446872468 /nfs/dbraw/zinc/87/24/68/446872468.db2.gz MHTURTNXURFEIC-GOSISDBHSA-N 2 1 333.476 1.734 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000368454860 446872474 /nfs/dbraw/zinc/87/24/74/446872474.db2.gz MHTURTNXURFEIC-GOSISDBHSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419029290 446875579 /nfs/dbraw/zinc/87/55/79/446875579.db2.gz RLUFQZLSAOMTHE-HUUCEWRRSA-N 2 1 338.496 1.001 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)NCC(C)(C)[NH3+])cc1 ZINC000419031588 446876728 /nfs/dbraw/zinc/87/67/28/446876728.db2.gz ADOLYMXCYIXNKN-LBPRGKRZSA-N 2 1 343.431 1.211 20 0 EDADMP OCCO[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420915846 446886775 /nfs/dbraw/zinc/88/67/75/446886775.db2.gz NAXCVQMHTSEZDA-LJQANCHMSA-N 2 1 334.460 1.492 20 0 EDADMP OCCO[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420915846 446886784 /nfs/dbraw/zinc/88/67/84/446886784.db2.gz NAXCVQMHTSEZDA-LJQANCHMSA-N 2 1 334.460 1.492 20 0 EDADMP COC(=O)c1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)nc1 ZINC000368508547 446908260 /nfs/dbraw/zinc/90/82/60/446908260.db2.gz TUGAKCKMPJQYMP-OAHLLOKOSA-N 2 1 346.475 1.469 20 0 EDADMP COC(=O)c1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)nc1 ZINC000368508547 446908263 /nfs/dbraw/zinc/90/82/63/446908263.db2.gz TUGAKCKMPJQYMP-OAHLLOKOSA-N 2 1 346.475 1.469 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)CC1 ZINC000377121621 446934684 /nfs/dbraw/zinc/93/46/84/446934684.db2.gz WLFUWCAAZBHMPB-AWEZNQCLSA-N 2 1 337.414 1.918 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](c3c(F)cccc3F)C2)CC1 ZINC000377121621 446934691 /nfs/dbraw/zinc/93/46/91/446934691.db2.gz WLFUWCAAZBHMPB-AWEZNQCLSA-N 2 1 337.414 1.918 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)CC2)c1 ZINC000442763992 446957974 /nfs/dbraw/zinc/95/79/74/446957974.db2.gz SRGATBGRMOPQNN-IAGOWNOFSA-N 2 1 330.476 1.313 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)CC2)c1 ZINC000442763992 446957980 /nfs/dbraw/zinc/95/79/80/446957980.db2.gz SRGATBGRMOPQNN-IAGOWNOFSA-N 2 1 330.476 1.313 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@](C)(O)C(F)(F)F)CC2)CC1 ZINC000420983377 446959140 /nfs/dbraw/zinc/95/91/40/446959140.db2.gz QXCRWHVFLLMVTR-HNNXBMFYSA-N 2 1 337.430 1.792 20 0 EDADMP CCCCNC(=O)[C@@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420986091 446962948 /nfs/dbraw/zinc/96/29/48/446962948.db2.gz XSEFUVPCNSIRDE-QGZVFWFLSA-N 2 1 338.540 1.783 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000372065130 446984372 /nfs/dbraw/zinc/98/43/72/446984372.db2.gz NKEPPEGEWXLKLA-SQNIBIBYSA-N 2 1 339.524 1.576 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000377200929 446988575 /nfs/dbraw/zinc/98/85/75/446988575.db2.gz CFTUWAHCINWLIT-WMZOPIPTSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000372095347 446998859 /nfs/dbraw/zinc/99/88/59/446998859.db2.gz MXNWMIQGXQWTIB-UGUYLWEFSA-N 2 1 341.521 1.087 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443059072 446999801 /nfs/dbraw/zinc/99/98/01/446999801.db2.gz LXVNYGDMADEDRX-DLBZAZTESA-N 2 1 333.476 1.939 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000443058986 446999977 /nfs/dbraw/zinc/99/99/77/446999977.db2.gz BPEJDMPGSDOZRS-HUUCEWRRSA-N 2 1 333.432 1.003 20 0 EDADMP COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443059587 447001633 /nfs/dbraw/zinc/00/16/33/447001633.db2.gz NENVVAGZVAURQU-CABCVRRESA-N 2 1 349.475 1.769 20 0 EDADMP O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)[C@H]1COCC[NH2+]1 ZINC000372107301 447005134 /nfs/dbraw/zinc/00/51/34/447005134.db2.gz IGEXCDPCTGPXMI-QGZVFWFLSA-N 2 1 335.423 1.142 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCc2cn[nH]c21 ZINC000372344601 447041014 /nfs/dbraw/zinc/04/10/14/447041014.db2.gz CTBCWEFWIDICBQ-SJORKVTESA-N 2 1 347.507 1.704 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCc2c[nH]nc21 ZINC000372344601 447041018 /nfs/dbraw/zinc/04/10/18/447041018.db2.gz CTBCWEFWIDICBQ-SJORKVTESA-N 2 1 347.507 1.704 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCc2c[nH]nc21 ZINC000372344601 447041024 /nfs/dbraw/zinc/04/10/24/447041024.db2.gz CTBCWEFWIDICBQ-SJORKVTESA-N 2 1 347.507 1.704 20 0 EDADMP CC[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1)OC ZINC000419284346 447057104 /nfs/dbraw/zinc/05/71/04/447057104.db2.gz MEEPFIRGYHGYPH-ZWKOTPCHSA-N 2 1 325.497 1.678 20 0 EDADMP CC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1)OC ZINC000419284346 447057107 /nfs/dbraw/zinc/05/71/07/447057107.db2.gz MEEPFIRGYHGYPH-ZWKOTPCHSA-N 2 1 325.497 1.678 20 0 EDADMP CC[C@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC000419284346 447057111 /nfs/dbraw/zinc/05/71/11/447057111.db2.gz MEEPFIRGYHGYPH-ZWKOTPCHSA-N 2 1 325.497 1.678 20 0 EDADMP CC[C@H](C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC000419284346 447057114 /nfs/dbraw/zinc/05/71/14/447057114.db2.gz MEEPFIRGYHGYPH-ZWKOTPCHSA-N 2 1 325.497 1.678 20 0 EDADMP COc1cc2nc(N3C[C@@H](C)[N@@H+](C)C[C@H]3C)nc(N)c2cc1OC ZINC000443525619 447059270 /nfs/dbraw/zinc/05/92/70/447059270.db2.gz ZPXVRSCCOVBWQB-GHMZBOCLSA-N 2 1 331.420 1.758 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1CCC[NH+]1CCCCC1 ZINC000372461178 447063564 /nfs/dbraw/zinc/06/35/64/447063564.db2.gz ZQWKNNZLFFARFR-MOPGFXCFSA-N 2 1 338.540 1.199 20 0 EDADMP CC[N@H+]1CCC[C@@H](CN(C)CC(=O)NCC2CC2)[C@@H]1c1cnn(C)c1 ZINC000372531001 447113922 /nfs/dbraw/zinc/11/39/22/447113922.db2.gz JHHBZRKRUYVPTM-QFBILLFUSA-N 2 1 347.507 1.651 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000421301104 447114422 /nfs/dbraw/zinc/11/44/22/447114422.db2.gz PNFBDVMBOJDRKT-QGZVFWFLSA-N 2 1 346.475 1.282 20 0 EDADMP COC(=O)c1cccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000375815781 447075027 /nfs/dbraw/zinc/07/50/27/447075027.db2.gz PGHPZCFOROLMPW-UHFFFAOYSA-N 2 1 348.443 1.132 20 0 EDADMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372498232 447090949 /nfs/dbraw/zinc/09/09/49/447090949.db2.gz WEZLMALRFFTXHX-GOSISDBHSA-N 2 1 347.503 1.465 20 0 EDADMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000372498232 447090955 /nfs/dbraw/zinc/09/09/55/447090955.db2.gz WEZLMALRFFTXHX-GOSISDBHSA-N 2 1 347.503 1.465 20 0 EDADMP COC(=O)c1coc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375908777 447140917 /nfs/dbraw/zinc/14/09/17/447140917.db2.gz YOCUOLCIBGMIJS-MRXNPFEDSA-N 2 1 335.448 1.667 20 0 EDADMP COC(=O)c1coc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375908777 447140925 /nfs/dbraw/zinc/14/09/25/447140925.db2.gz YOCUOLCIBGMIJS-MRXNPFEDSA-N 2 1 335.448 1.667 20 0 EDADMP C[N@H+]([C@@H]1CCN(C(C)(C)C)C1=O)C1CCN(CCn2cccn2)CC1 ZINC000425400370 447145057 /nfs/dbraw/zinc/14/50/57/447145057.db2.gz XLZUCBWRWNXZSW-QGZVFWFLSA-N 2 1 347.507 1.679 20 0 EDADMP C[N@@H+]([C@@H]1CCN(C(C)(C)C)C1=O)C1CCN(CCn2cccn2)CC1 ZINC000425400370 447145067 /nfs/dbraw/zinc/14/50/67/447145067.db2.gz XLZUCBWRWNXZSW-QGZVFWFLSA-N 2 1 347.507 1.679 20 0 EDADMP CC[NH+](CC)CCN(CCOC)c1cncc(-n2cc[nH+]c2C)n1 ZINC000377482289 447153548 /nfs/dbraw/zinc/15/35/48/447153548.db2.gz UQANCRMZCYBJEF-UHFFFAOYSA-N 2 1 332.452 1.765 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000419408453 447159026 /nfs/dbraw/zinc/15/90/26/447159026.db2.gz LPDONWSHFMFKKM-LSDHHAIUSA-N 2 1 338.496 1.143 20 0 EDADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000419445474 447182603 /nfs/dbraw/zinc/18/26/03/447182603.db2.gz URIOLKVZIOUDAW-IRXDYDNUSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000419445474 447182609 /nfs/dbraw/zinc/18/26/09/447182609.db2.gz URIOLKVZIOUDAW-IRXDYDNUSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000419445474 447182616 /nfs/dbraw/zinc/18/26/16/447182616.db2.gz URIOLKVZIOUDAW-IRXDYDNUSA-N 2 1 348.491 1.215 20 0 EDADMP Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C)n1 ZINC000377637387 447262559 /nfs/dbraw/zinc/26/25/59/447262559.db2.gz QVFXPCFMRGEVSO-KRWDZBQOSA-N 2 1 330.476 1.939 20 0 EDADMP Cc1ccc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000377637387 447262560 /nfs/dbraw/zinc/26/25/60/447262560.db2.gz QVFXPCFMRGEVSO-KRWDZBQOSA-N 2 1 330.476 1.939 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000422326696 447478894 /nfs/dbraw/zinc/47/88/94/447478894.db2.gz NWXDICJFWKRHHC-HUUCEWRRSA-N 2 1 340.512 1.022 20 0 EDADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000495363119 447493030 /nfs/dbraw/zinc/49/30/30/447493030.db2.gz UIOILWPYJZRCRS-KEYYUXOJSA-N 2 1 327.469 1.288 20 0 EDADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000495363119 447493033 /nfs/dbraw/zinc/49/30/33/447493033.db2.gz UIOILWPYJZRCRS-KEYYUXOJSA-N 2 1 327.469 1.288 20 0 EDADMP C[C@@H](O)CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000450466002 447499520 /nfs/dbraw/zinc/49/95/20/447499520.db2.gz FIXREZASPUIZPU-QGZVFWFLSA-N 2 1 347.503 1.718 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390879762 447504286 /nfs/dbraw/zinc/50/42/86/447504286.db2.gz USYMPXNGLKOTCK-JQHSSLGASA-N 2 1 333.476 1.767 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000392137996 447520840 /nfs/dbraw/zinc/52/08/40/447520840.db2.gz DWKHZDMFDXYMJR-QZTJIDSGSA-N 2 1 332.492 1.117 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccco1 ZINC000457440774 447582154 /nfs/dbraw/zinc/58/21/54/447582154.db2.gz LKKJGSIUZWXRKN-ZNMIVQPWSA-N 2 1 336.436 1.045 20 0 EDADMP CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000394395375 447536504 /nfs/dbraw/zinc/53/65/04/447536504.db2.gz AHTOAOLMZSKXMM-HNNXBMFYSA-N 2 1 326.485 1.221 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cnccc1C ZINC000459015624 447540338 /nfs/dbraw/zinc/54/03/38/447540338.db2.gz GNNFCVSUTWRFRE-GOSISDBHSA-N 2 1 347.507 1.948 20 0 EDADMP C[C@H](CO)[C@H](C)[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000450728433 447558867 /nfs/dbraw/zinc/55/88/67/447558867.db2.gz LMMZEHHUNJBHCP-IKGGRYGDSA-N 2 1 333.476 1.498 20 0 EDADMP COC(=O)C1(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000450980373 447641410 /nfs/dbraw/zinc/64/14/10/447641410.db2.gz MFOAUVQFFOPOFR-UHFFFAOYSA-N 2 1 345.487 1.689 20 0 EDADMP Cc1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000405271070 447607847 /nfs/dbraw/zinc/60/78/47/447607847.db2.gz ORTSTIAZILFIFO-UONOGXRCSA-N 2 1 328.372 1.707 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000420117116 447612454 /nfs/dbraw/zinc/61/24/54/447612454.db2.gz HOHMRYXQWMZLPN-HNNXBMFYSA-N 2 1 346.475 1.265 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C[C@H]1C ZINC000420127916 447620343 /nfs/dbraw/zinc/62/03/43/447620343.db2.gz PBFAWFRGUYDZOY-ILXRZTDVSA-N 2 1 346.475 1.264 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C[C@H]1C ZINC000420127916 447620348 /nfs/dbraw/zinc/62/03/48/447620348.db2.gz PBFAWFRGUYDZOY-ILXRZTDVSA-N 2 1 346.475 1.264 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H]1SC ZINC000459409634 447656403 /nfs/dbraw/zinc/65/64/03/447656403.db2.gz REWDILZJOKJZSE-INMHGKMJSA-N 2 1 343.537 1.428 20 0 EDADMP C[C@H](CNC(=O)NC(C)(C)CC[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000422592674 447661025 /nfs/dbraw/zinc/66/10/25/447661025.db2.gz OUCRXIZNPXPHSR-MRXNPFEDSA-N 2 1 347.507 1.624 20 0 EDADMP CCOC(=O)c1c[nH+]c2cc3c(cc2c1N(C)CC[NH2+]C)OCO3 ZINC000420230817 447680243 /nfs/dbraw/zinc/68/02/43/447680243.db2.gz YULDXEPYIBDTEI-UHFFFAOYSA-N 2 1 331.372 1.796 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422638356 447684006 /nfs/dbraw/zinc/68/40/06/447684006.db2.gz QCZSMFQWLFXRAP-INMHGKMJSA-N 2 1 333.476 1.959 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422638356 447684014 /nfs/dbraw/zinc/68/40/14/447684014.db2.gz QCZSMFQWLFXRAP-INMHGKMJSA-N 2 1 333.476 1.959 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1CCC(C)CC1 ZINC000458053526 447710163 /nfs/dbraw/zinc/71/01/63/447710163.db2.gz SKWPIPIURSKFCZ-DLBZAZTESA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000416927321 447712726 /nfs/dbraw/zinc/71/27/26/447712726.db2.gz VUIXFLWOOVGBTO-BZUAXINKSA-N 2 1 342.528 1.889 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428876112 447719302 /nfs/dbraw/zinc/71/93/02/447719302.db2.gz YRFHIPSSLBEVNM-QGZVFWFLSA-N 2 1 338.496 1.271 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000416943810 447719418 /nfs/dbraw/zinc/71/94/18/447719418.db2.gz UHOODKDNACOIAB-BZUAXINKSA-N 2 1 326.485 1.125 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000422705385 447722002 /nfs/dbraw/zinc/72/20/02/447722002.db2.gz ROCMRPMBRKJJLO-GUTXKFCHSA-N 2 1 325.478 1.633 20 0 EDADMP CC[C@H](CNC(=O)NC[C@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000417022653 447731395 /nfs/dbraw/zinc/73/13/95/447731395.db2.gz VLJCPAPXXSALQF-MAUKXSAKSA-N 2 1 330.476 1.732 20 0 EDADMP Cc1ccc(NCCCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)[nH+]c1 ZINC000417069812 447732850 /nfs/dbraw/zinc/73/28/50/447732850.db2.gz URRWYKMFDYKBSC-IYBDPMFKSA-N 2 1 333.480 2.256 20 0 EDADMP CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)NC(=O)OC(C)(C)C ZINC000496177605 447733477 /nfs/dbraw/zinc/73/34/77/447733477.db2.gz IKGYKGBDHPFVLX-KBPBESRZSA-N 2 1 341.500 1.888 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC000459696269 447743027 /nfs/dbraw/zinc/74/30/27/447743027.db2.gz HOMIPVKDXYAXAF-HKUYNNGSSA-N 2 1 333.476 1.004 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000496539076 447812500 /nfs/dbraw/zinc/81/25/00/447812500.db2.gz JPWMPJAWVLMIIG-ZDUSSCGKSA-N 2 1 327.473 1.499 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000430551767 447776906 /nfs/dbraw/zinc/77/69/06/447776906.db2.gz INBCIDVSLZQPEF-ZJUUUORDSA-N 2 1 326.363 1.068 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000430551767 447776908 /nfs/dbraw/zinc/77/69/08/447776908.db2.gz INBCIDVSLZQPEF-ZJUUUORDSA-N 2 1 326.363 1.068 20 0 EDADMP COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430578925 447781602 /nfs/dbraw/zinc/78/16/02/447781602.db2.gz PSAUDXROCQKCBM-AWEZNQCLSA-N 2 1 335.448 1.852 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)C1 ZINC000430594530 447782625 /nfs/dbraw/zinc/78/26/25/447782625.db2.gz GLOYNWCLNBWISD-AVGNSLFASA-N 2 1 336.411 1.922 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)C1 ZINC000430594530 447782628 /nfs/dbraw/zinc/78/26/28/447782628.db2.gz GLOYNWCLNBWISD-AVGNSLFASA-N 2 1 336.411 1.922 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(C)(C)C[NH3+])CC1 ZINC000431020317 447789211 /nfs/dbraw/zinc/78/92/11/447789211.db2.gz YUGGSFSFTAYCEN-UHFFFAOYSA-N 2 1 332.492 1.425 20 0 EDADMP CN(CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+])S(=O)(=O)c1cccs1 ZINC000422998408 447789670 /nfs/dbraw/zinc/78/96/70/447789670.db2.gz QHYNTSQNGJFVHW-STQMWFEESA-N 2 1 331.507 1.618 20 0 EDADMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc(N2CCOCC2)c1 ZINC000423053717 447798732 /nfs/dbraw/zinc/79/87/32/447798732.db2.gz SITGPFIBAZHHOR-FGTMMUONSA-N 2 1 330.476 1.929 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000487404778 447831773 /nfs/dbraw/zinc/83/17/73/447831773.db2.gz IHWRWDRCBBMKJJ-POAQFYNOSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000487404778 447831774 /nfs/dbraw/zinc/83/17/74/447831774.db2.gz IHWRWDRCBBMKJJ-POAQFYNOSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000487404778 447831775 /nfs/dbraw/zinc/83/17/75/447831775.db2.gz IHWRWDRCBBMKJJ-POAQFYNOSA-N 2 1 345.487 1.280 20 0 EDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496663973 447844008 /nfs/dbraw/zinc/84/40/08/447844008.db2.gz YBIWNVWURWFVBI-WMLDXEAASA-N 2 1 329.485 1.536 20 0 EDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496663973 447844010 /nfs/dbraw/zinc/84/40/10/447844010.db2.gz YBIWNVWURWFVBI-WMLDXEAASA-N 2 1 329.485 1.536 20 0 EDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496663973 447844011 /nfs/dbraw/zinc/84/40/11/447844011.db2.gz YBIWNVWURWFVBI-WMLDXEAASA-N 2 1 329.485 1.536 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000479646822 447823852 /nfs/dbraw/zinc/82/38/52/447823852.db2.gz KZVDBYHJRSRASP-IRXDYDNUSA-N 2 1 340.512 1.207 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000479646822 447823854 /nfs/dbraw/zinc/82/38/54/447823854.db2.gz KZVDBYHJRSRASP-IRXDYDNUSA-N 2 1 340.512 1.207 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)OCC(C)C ZINC000523094195 447872729 /nfs/dbraw/zinc/87/27/29/447872729.db2.gz UDBFTBAWOBJCQT-IRXDYDNUSA-N 2 1 327.513 1.922 20 0 EDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496747636 447878218 /nfs/dbraw/zinc/87/82/18/447878218.db2.gz FSSNGJZVYRZSFC-INIZCTEOSA-N 2 1 341.496 1.773 20 0 EDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496747636 447878222 /nfs/dbraw/zinc/87/82/22/447878222.db2.gz FSSNGJZVYRZSFC-INIZCTEOSA-N 2 1 341.496 1.773 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496747636 447878226 /nfs/dbraw/zinc/87/82/26/447878226.db2.gz FSSNGJZVYRZSFC-INIZCTEOSA-N 2 1 341.496 1.773 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496747636 447878230 /nfs/dbraw/zinc/87/82/30/447878230.db2.gz FSSNGJZVYRZSFC-INIZCTEOSA-N 2 1 341.496 1.773 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000569814193 447898308 /nfs/dbraw/zinc/89/83/08/447898308.db2.gz TXVPXYWMCPWCHP-FUHWJXTLSA-N 2 1 332.492 1.544 20 0 EDADMP CN1C(=O)CC[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1=O ZINC000575802162 447901047 /nfs/dbraw/zinc/90/10/47/447901047.db2.gz GXUHOQMIECBLIF-DLBZAZTESA-N 2 1 341.455 1.921 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000549625824 447876922 /nfs/dbraw/zinc/87/69/22/447876922.db2.gz JOXHFHUMIZOMKP-DOTOQJQBSA-N 2 1 326.481 1.255 20 0 EDADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C[C@@H](C)O1 ZINC000530702470 447942818 /nfs/dbraw/zinc/94/28/18/447942818.db2.gz NOVOCPZGGPJFDR-JFIYKMOQSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@H](NC(=O)C1(C[NH3+])CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000575985851 447944487 /nfs/dbraw/zinc/94/44/87/447944487.db2.gz ACRKFWVALCDPRL-FUHWJXTLSA-N 2 1 345.487 1.911 20 0 EDADMP C[C@H](NC(=O)C1(C[NH3+])CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000575985851 447944492 /nfs/dbraw/zinc/94/44/92/447944492.db2.gz ACRKFWVALCDPRL-FUHWJXTLSA-N 2 1 345.487 1.911 20 0 EDADMP CN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000576037964 447955619 /nfs/dbraw/zinc/95/56/19/447955619.db2.gz IZTGIHNVZFNOKR-WMZOPIPTSA-N 2 1 348.466 1.139 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000570055387 447940023 /nfs/dbraw/zinc/94/00/23/447940023.db2.gz OVDIGYHWBMELBW-CQSZACIVSA-N 2 1 328.482 1.147 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000570055387 447940028 /nfs/dbraw/zinc/94/00/28/447940028.db2.gz OVDIGYHWBMELBW-CQSZACIVSA-N 2 1 328.482 1.147 20 0 EDADMP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1nc2c(s1)CCC2 ZINC000570283301 447977950 /nfs/dbraw/zinc/97/79/50/447977950.db2.gz QESCORIVFITONV-STQMWFEESA-N 2 1 334.489 1.892 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1nc2c(s1)CCC2 ZINC000570283301 447977955 /nfs/dbraw/zinc/97/79/55/447977955.db2.gz QESCORIVFITONV-STQMWFEESA-N 2 1 334.489 1.892 20 0 EDADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000525292843 447990059 /nfs/dbraw/zinc/99/00/59/447990059.db2.gz KLVIFXQEKUCYLP-SJLPKXTDSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000525292843 447990066 /nfs/dbraw/zinc/99/00/66/447990066.db2.gz KLVIFXQEKUCYLP-SJLPKXTDSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000525292843 447990070 /nfs/dbraw/zinc/99/00/70/447990070.db2.gz KLVIFXQEKUCYLP-SJLPKXTDSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000525292843 447990076 /nfs/dbraw/zinc/99/00/76/447990076.db2.gz KLVIFXQEKUCYLP-SJLPKXTDSA-N 2 1 331.460 1.345 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCOC[C@@H]3CCCO3)C2)CC1 ZINC000525173063 447972857 /nfs/dbraw/zinc/97/28/57/447972857.db2.gz YUWFSYJBFPRFLP-ROUUACIJSA-N 2 1 325.497 1.282 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000531101297 448019321 /nfs/dbraw/zinc/01/93/21/448019321.db2.gz DAIIHVVZAWDNTG-KSZLIROESA-N 2 1 326.481 1.207 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000531101297 448019324 /nfs/dbraw/zinc/01/93/24/448019324.db2.gz DAIIHVVZAWDNTG-KSZLIROESA-N 2 1 326.481 1.207 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000531101297 448019325 /nfs/dbraw/zinc/01/93/25/448019325.db2.gz DAIIHVVZAWDNTG-KSZLIROESA-N 2 1 326.481 1.207 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CCN1C(=O)c3ccccc3C1=O)CC[NH2+]CC2 ZINC000576338237 448030931 /nfs/dbraw/zinc/03/09/31/448030931.db2.gz MACHLFIUBLNJGU-CQSZACIVSA-N 2 1 327.428 1.747 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCNC[C@H]1C(F)F ZINC000576468296 448062537 /nfs/dbraw/zinc/06/25/37/448062537.db2.gz BUDRRXHMCATFCI-CABCVRRESA-N 2 1 338.402 1.359 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000576468296 448062541 /nfs/dbraw/zinc/06/25/41/448062541.db2.gz BUDRRXHMCATFCI-CABCVRRESA-N 2 1 338.402 1.359 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)CC3(C[NH3+])CC3)cc2)CC1 ZINC000576513766 448072824 /nfs/dbraw/zinc/07/28/24/448072824.db2.gz FBGYEPXPPJSDSH-UHFFFAOYSA-N 2 1 344.503 1.569 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000571059475 448103614 /nfs/dbraw/zinc/10/36/14/448103614.db2.gz HJECUPRRCYWZGR-HOTGVXAUSA-N 2 1 339.528 1.171 20 0 EDADMP Cc1nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000525958800 448066802 /nfs/dbraw/zinc/06/68/02/448066802.db2.gz JFTNIOIDAOCQEC-VGWMRTNUSA-N 2 1 346.523 1.843 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]c3=O)C2)nn1 ZINC000576844768 448154076 /nfs/dbraw/zinc/15/40/76/448154076.db2.gz FHVYXOHCQQPZPY-MRXNPFEDSA-N 2 1 338.415 1.828 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000512433346 448156218 /nfs/dbraw/zinc/15/62/18/448156218.db2.gz YQJUQYOSMCELBM-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000512433346 448156221 /nfs/dbraw/zinc/15/62/21/448156221.db2.gz YQJUQYOSMCELBM-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571464568 448159398 /nfs/dbraw/zinc/15/93/98/448159398.db2.gz XXOCSTYFIHCDDU-OSMZGAPFSA-N 2 1 325.359 1.593 20 0 EDADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571464568 448159401 /nfs/dbraw/zinc/15/94/01/448159401.db2.gz XXOCSTYFIHCDDU-OSMZGAPFSA-N 2 1 325.359 1.593 20 0 EDADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCCc2c1cnn2-c1ncccn1 ZINC000576695548 448116365 /nfs/dbraw/zinc/11/63/65/448116365.db2.gz KAQONTAEDNNYOK-GXTWGEPZSA-N 2 1 348.401 1.874 20 0 EDADMP Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000576767667 448135937 /nfs/dbraw/zinc/13/59/37/448135937.db2.gz DJDUSINWGUKFIW-WBVHZDCISA-N 2 1 339.443 1.139 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000571420074 448152716 /nfs/dbraw/zinc/15/27/16/448152716.db2.gz VVNVPXCQMWOSGR-CGTJXYLNSA-N 2 1 346.475 1.279 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000571420074 448152721 /nfs/dbraw/zinc/15/27/21/448152721.db2.gz VVNVPXCQMWOSGR-CGTJXYLNSA-N 2 1 346.475 1.279 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000571817930 448211372 /nfs/dbraw/zinc/21/13/72/448211372.db2.gz CPOIROJPRGELHD-MRXNPFEDSA-N 2 1 335.496 1.543 20 0 EDADMP COc1cccc(NC(=O)C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000576968312 448183388 /nfs/dbraw/zinc/18/33/88/448183388.db2.gz YKXNQQRQJBKSBN-IEBWSBKVSA-N 2 1 347.459 1.852 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCC[C@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000577047144 448199294 /nfs/dbraw/zinc/19/92/94/448199294.db2.gz BFLXLHDSXYITKX-JFIYKMOQSA-N 2 1 330.476 1.948 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000577073462 448206719 /nfs/dbraw/zinc/20/67/19/448206719.db2.gz NSTZTMYJXODAOK-UHFFFAOYSA-N 2 1 341.459 1.233 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NCC[N@H+]2CCc3ccccc3C2)n1 ZINC000577073462 448206725 /nfs/dbraw/zinc/20/67/25/448206725.db2.gz NSTZTMYJXODAOK-UHFFFAOYSA-N 2 1 341.459 1.233 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)c3cc(C)cc(=O)[nH]3)CC2)CC1 ZINC000571907678 448233155 /nfs/dbraw/zinc/23/31/55/448233155.db2.gz MVEKTSJIUQYJRJ-UHFFFAOYSA-N 2 1 346.475 1.728 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)c3cc(C)cc(=O)[nH]3)CC2)CC1 ZINC000571907678 448233163 /nfs/dbraw/zinc/23/31/63/448233163.db2.gz MVEKTSJIUQYJRJ-UHFFFAOYSA-N 2 1 346.475 1.728 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000532214833 448216010 /nfs/dbraw/zinc/21/60/10/448216010.db2.gz PXJBYGPYDDUMFF-UHFFFAOYSA-N 2 1 332.496 1.063 20 0 EDADMP C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000571882593 448225737 /nfs/dbraw/zinc/22/57/37/448225737.db2.gz LRKTUQWKOSKUCC-QWHCGFSZSA-N 2 1 341.463 1.740 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000582476980 448247990 /nfs/dbraw/zinc/24/79/90/448247990.db2.gz PEMBBYAZUAYQEV-FZKQIMNGSA-N 2 1 349.500 1.785 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)O1 ZINC000527544248 448259943 /nfs/dbraw/zinc/25/99/43/448259943.db2.gz AUMZUNIKBASQRZ-BHIYHBOVSA-N 2 1 345.487 1.386 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)O1 ZINC000527544248 448259950 /nfs/dbraw/zinc/25/99/50/448259950.db2.gz AUMZUNIKBASQRZ-BHIYHBOVSA-N 2 1 345.487 1.386 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)O1 ZINC000527544248 448259957 /nfs/dbraw/zinc/25/99/57/448259957.db2.gz AUMZUNIKBASQRZ-BHIYHBOVSA-N 2 1 345.487 1.386 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)O1 ZINC000527544248 448259966 /nfs/dbraw/zinc/25/99/66/448259966.db2.gz AUMZUNIKBASQRZ-BHIYHBOVSA-N 2 1 345.487 1.386 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)COC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000572118529 448292160 /nfs/dbraw/zinc/29/21/60/448292160.db2.gz RDXXAVBYKILKGA-RDJZCZTQSA-N 2 1 341.496 1.008 20 0 EDADMP O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577625478 448345384 /nfs/dbraw/zinc/34/53/84/448345384.db2.gz JYZHAFGPDAVBEE-QRVBRYPASA-N 2 1 343.471 1.488 20 0 EDADMP CN(C)c1ncccc1CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527662065 448332497 /nfs/dbraw/zinc/33/24/97/448332497.db2.gz OZNXTNJMKPYSKQ-INIZCTEOSA-N 2 1 331.464 1.964 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)CC2)c1 ZINC000572264136 448332523 /nfs/dbraw/zinc/33/25/23/448332523.db2.gz YIDOJROOPSHLDV-ZDUSSCGKSA-N 2 1 339.390 1.219 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNc2cc[nH+]cc2C(N)=O)cc1 ZINC000528140104 448443863 /nfs/dbraw/zinc/44/38/63/448443863.db2.gz PDWRLFVDAKHEJY-CQSZACIVSA-N 2 1 326.400 1.297 20 0 EDADMP O=C1[C@@H]([N@H+]2CC[C@H](CN3CCOCC3)C2)CCN1C1CCCCC1 ZINC000528390067 448509368 /nfs/dbraw/zinc/50/93/68/448509368.db2.gz NPGOVZYVIOLLNH-AEFFLSMTSA-N 2 1 335.492 1.574 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)[C@]2(C)CCC[NH2+]2)c2cccs2)CC1 ZINC000584532237 448560273 /nfs/dbraw/zinc/56/02/73/448560273.db2.gz DTANOCUWJOLNIS-PBHICJAKSA-N 2 1 336.505 1.295 20 0 EDADMP COC(=O)c1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000517215391 448552496 /nfs/dbraw/zinc/55/24/96/448552496.db2.gz GTEJMTDNSUQSJM-KRWDZBQOSA-N 2 1 346.475 1.469 20 0 EDADMP COC(=O)c1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000517215391 448552503 /nfs/dbraw/zinc/55/25/03/448552503.db2.gz GTEJMTDNSUQSJM-KRWDZBQOSA-N 2 1 346.475 1.469 20 0 EDADMP CN(C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000578730831 448619726 /nfs/dbraw/zinc/61/97/26/448619726.db2.gz BTZMKLBSALYNOU-LEOMRAHMSA-N 2 1 349.523 1.081 20 0 EDADMP CN(C(=O)NC1CCC([NH+]2CCNCC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000578730831 448619735 /nfs/dbraw/zinc/61/97/35/448619735.db2.gz BTZMKLBSALYNOU-LEOMRAHMSA-N 2 1 349.523 1.081 20 0 EDADMP CN(C(=O)NC1CCC([NH+]2CCNCC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000578730831 448619740 /nfs/dbraw/zinc/61/97/40/448619740.db2.gz BTZMKLBSALYNOU-LEOMRAHMSA-N 2 1 349.523 1.081 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000573308872 448593157 /nfs/dbraw/zinc/59/31/57/448593157.db2.gz NNRVKXVZPABRFK-INMHGKMJSA-N 2 1 338.496 1.269 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)[C@H]2C1 ZINC000528715767 448641823 /nfs/dbraw/zinc/64/18/23/448641823.db2.gz WJURBBURERBGOJ-BBRMVZONSA-N 2 1 330.432 1.727 20 0 EDADMP C[C@@]1(CNC(=O)NCC[N@H+]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000518343210 448667634 /nfs/dbraw/zinc/66/76/34/448667634.db2.gz KBAULSPHZOINLH-LJQANCHMSA-N 2 1 330.476 1.734 20 0 EDADMP O=C1CN(CCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000517959658 448634583 /nfs/dbraw/zinc/63/45/83/448634583.db2.gz GMROLWLNCBDUPI-UHFFFAOYSA-N 2 1 330.476 1.063 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000567500700 448704099 /nfs/dbraw/zinc/70/40/99/448704099.db2.gz FDEFWSUGDALQCD-ZWKOTPCHSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH2+]CCNC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000567595976 448720676 /nfs/dbraw/zinc/72/06/76/448720676.db2.gz QZTOIXMXZUKHNK-WBVHZDCISA-N 2 1 334.464 1.185 20 0 EDADMP CC[NH2+]CCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000567595976 448720680 /nfs/dbraw/zinc/72/06/80/448720680.db2.gz QZTOIXMXZUKHNK-WBVHZDCISA-N 2 1 334.464 1.185 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)C1 ZINC000573850332 448729320 /nfs/dbraw/zinc/72/93/20/448729320.db2.gz HCPKRCORXJZVSJ-SOUVJXGZSA-N 2 1 330.432 1.060 20 0 EDADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000567779368 448759710 /nfs/dbraw/zinc/75/97/10/448759710.db2.gz MWNDGXQRKVKDEJ-CRAIPNDOSA-N 2 1 330.476 1.048 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1)N1CC[NH2+]CC1 ZINC000567864892 448777953 /nfs/dbraw/zinc/77/79/53/448777953.db2.gz XVIGUPUDCJPHEL-QGZVFWFLSA-N 2 1 338.455 1.879 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574401498 448866261 /nfs/dbraw/zinc/86/62/61/448866261.db2.gz DHKLRIFJXAHHMS-UKRRQHHQSA-N 2 1 344.459 1.463 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C[C@@H]1C ZINC000574641775 448923685 /nfs/dbraw/zinc/92/36/85/448923685.db2.gz ZREICYPNNVPYSY-BHYGNILZSA-N 2 1 333.480 1.752 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(-n2ccnc2)nn1 ZINC000520968126 448942587 /nfs/dbraw/zinc/94/25/87/448942587.db2.gz WENFBZVDZSGCGW-LBPRGKRZSA-N 2 1 325.376 1.233 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CN1c1ccccc1F ZINC000582354384 449071813 /nfs/dbraw/zinc/07/18/13/449071813.db2.gz BRCBBKFCXPSCAC-XJNFMUPTSA-N 2 1 347.434 1.678 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)[C@@H]1CC[NH3+] ZINC000593735077 449169733 /nfs/dbraw/zinc/16/97/33/449169733.db2.gz XNTSARNZYPUPTR-LVQVYYBASA-N 2 1 338.496 1.840 20 0 EDADMP C[C@@H]1CCC[N@H+](CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)[C@@H]1CC[NH3+] ZINC000593735077 449169734 /nfs/dbraw/zinc/16/97/34/449169734.db2.gz XNTSARNZYPUPTR-LVQVYYBASA-N 2 1 338.496 1.840 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000590860009 449324783 /nfs/dbraw/zinc/32/47/83/449324783.db2.gz YLWWUMAAYUHWFO-OALUTQOASA-N 2 1 344.503 1.944 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000590860009 449324785 /nfs/dbraw/zinc/32/47/85/449324785.db2.gz YLWWUMAAYUHWFO-OALUTQOASA-N 2 1 344.503 1.944 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000590860009 449324787 /nfs/dbraw/zinc/32/47/87/449324787.db2.gz YLWWUMAAYUHWFO-OALUTQOASA-N 2 1 344.503 1.944 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000595954430 449279936 /nfs/dbraw/zinc/27/99/36/449279936.db2.gz ITTUOFVAARXFIE-AWEZNQCLSA-N 2 1 345.443 1.042 20 0 EDADMP C[NH+](C)C1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000605401530 449374175 /nfs/dbraw/zinc/37/41/75/449374175.db2.gz ZJMNARAWLFSGBY-IBGZPJMESA-N 2 1 331.460 1.176 20 0 EDADMP C[C@H](NC(=O)NC1CC[NH+](CCN(C)C)CC1)C1CC[NH+](C)CC1 ZINC000606634974 449494798 /nfs/dbraw/zinc/49/47/98/449494798.db2.gz DEVJSMITBSRKMF-HNNXBMFYSA-N 2 1 339.528 1.042 20 0 EDADMP Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504711 449649731 /nfs/dbraw/zinc/64/97/31/449649731.db2.gz GVPVLGLISWCGNY-UONOGXRCSA-N 2 1 337.512 1.529 20 0 EDADMP Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504711 449649736 /nfs/dbraw/zinc/64/97/36/449649736.db2.gz GVPVLGLISWCGNY-UONOGXRCSA-N 2 1 337.512 1.529 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000617504424 449651123 /nfs/dbraw/zinc/65/11/23/449651123.db2.gz VKDXMFSKUDHWFZ-AWEZNQCLSA-N 2 1 344.459 1.942 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000617504424 449651129 /nfs/dbraw/zinc/65/11/29/449651129.db2.gz VKDXMFSKUDHWFZ-AWEZNQCLSA-N 2 1 344.459 1.942 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000617505498 449652804 /nfs/dbraw/zinc/65/28/04/449652804.db2.gz FIRIJMONLXSNKT-IKGGRYGDSA-N 2 1 327.513 1.970 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000617505498 449652809 /nfs/dbraw/zinc/65/28/09/449652809.db2.gz FIRIJMONLXSNKT-IKGGRYGDSA-N 2 1 327.513 1.970 20 0 EDADMP Cc1nc(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)s1 ZINC000617506688 449657195 /nfs/dbraw/zinc/65/71/95/449657195.db2.gz WGCAFQFMMRGRTJ-LBPRGKRZSA-N 2 1 326.510 1.691 20 0 EDADMP Cc1nc(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)s1 ZINC000617506688 449657200 /nfs/dbraw/zinc/65/72/00/449657200.db2.gz WGCAFQFMMRGRTJ-LBPRGKRZSA-N 2 1 326.510 1.691 20 0 EDADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594738103 449658103 /nfs/dbraw/zinc/65/81/03/449658103.db2.gz HCELZPQCJZHJID-KGLIPLIRSA-N 2 1 327.350 1.758 20 0 EDADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594738103 449658107 /nfs/dbraw/zinc/65/81/07/449658107.db2.gz HCELZPQCJZHJID-KGLIPLIRSA-N 2 1 327.350 1.758 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccnc(OC(F)F)c1 ZINC000617508152 449659810 /nfs/dbraw/zinc/65/98/10/449659810.db2.gz UYBNQWKIYDKIBC-LBPRGKRZSA-N 2 1 344.406 1.685 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccnc(OC(F)F)c1 ZINC000617508152 449659815 /nfs/dbraw/zinc/65/98/15/449659815.db2.gz UYBNQWKIYDKIBC-LBPRGKRZSA-N 2 1 344.406 1.685 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000601230011 449762596 /nfs/dbraw/zinc/76/25/96/449762596.db2.gz LCYDPKHCIWGKPK-IAGOWNOFSA-N 2 1 340.512 1.515 20 0 EDADMP CCc1cc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)no1 ZINC000608315797 449805273 /nfs/dbraw/zinc/80/52/73/449805273.db2.gz UHCGRBJZUCWBNE-AWEZNQCLSA-N 2 1 337.468 2.117 20 0 EDADMP C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000612897974 449932822 /nfs/dbraw/zinc/93/28/22/449932822.db2.gz AFXJQRQBUUNIBW-KVSKMBFKSA-N 2 1 330.476 1.948 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000608709076 449917171 /nfs/dbraw/zinc/91/71/71/449917171.db2.gz KKUVOFSVFIEFMJ-IAGOWNOFSA-N 2 1 339.528 1.042 20 0 EDADMP CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617928858 449924208 /nfs/dbraw/zinc/92/42/08/449924208.db2.gz XQQQYVYILHALJF-QGZVFWFLSA-N 2 1 337.508 1.964 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)[C@H](C)C1 ZINC000595251856 449976780 /nfs/dbraw/zinc/97/67/80/449976780.db2.gz YFFVQOWBHQHNPX-PBHICJAKSA-N 2 1 345.443 1.317 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)[C@H](C)C1 ZINC000595251856 449976786 /nfs/dbraw/zinc/97/67/86/449976786.db2.gz YFFVQOWBHQHNPX-PBHICJAKSA-N 2 1 345.443 1.317 20 0 EDADMP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000615266133 450029120 /nfs/dbraw/zinc/02/91/20/450029120.db2.gz LCIJTOYXIWGBQF-IAGOWNOFSA-N 2 1 341.415 1.203 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000615266133 450029126 /nfs/dbraw/zinc/02/91/26/450029126.db2.gz LCIJTOYXIWGBQF-IAGOWNOFSA-N 2 1 341.415 1.203 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000603354273 450260157 /nfs/dbraw/zinc/26/01/57/450260157.db2.gz YPTVDIFTXUIVSX-SJLPKXTDSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000603354273 450260161 /nfs/dbraw/zinc/26/01/61/450260161.db2.gz YPTVDIFTXUIVSX-SJLPKXTDSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000603354273 450260164 /nfs/dbraw/zinc/26/01/64/450260164.db2.gz YPTVDIFTXUIVSX-SJLPKXTDSA-N 2 1 330.476 1.846 20 0 EDADMP CCOC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000619780162 450332209 /nfs/dbraw/zinc/33/22/09/450332209.db2.gz BKQFYCQQAHYVOY-INIZCTEOSA-N 2 1 339.480 1.206 20 0 EDADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000619780162 450332211 /nfs/dbraw/zinc/33/22/11/450332211.db2.gz BKQFYCQQAHYVOY-INIZCTEOSA-N 2 1 339.480 1.206 20 0 EDADMP C[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)CC1(C)C ZINC000623355179 450503842 /nfs/dbraw/zinc/50/38/42/450503842.db2.gz CEZWKDOFTNOBMH-RBUKOAKNSA-N 2 1 331.504 1.868 20 0 EDADMP C[NH+]1CC[C@H](NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1(C)C ZINC000623355179 450503844 /nfs/dbraw/zinc/50/38/44/450503844.db2.gz CEZWKDOFTNOBMH-RBUKOAKNSA-N 2 1 331.504 1.868 20 0 EDADMP C[NH+]1CC[C@H](NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1(C)C ZINC000623355179 450503846 /nfs/dbraw/zinc/50/38/46/450503846.db2.gz CEZWKDOFTNOBMH-RBUKOAKNSA-N 2 1 331.504 1.868 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@]2(N3CCOCC3)CCSC2)CC1(C)C ZINC000623372216 450507936 /nfs/dbraw/zinc/50/79/36/450507936.db2.gz KJRMNYXGQVLSLX-WBVHZDCISA-N 2 1 327.538 1.657 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1(C)C ZINC000623521687 450537056 /nfs/dbraw/zinc/53/70/56/450537056.db2.gz BQQGQVLBGZRICT-ILXRZTDVSA-N 2 1 331.526 1.557 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000621110940 450583086 /nfs/dbraw/zinc/58/30/86/450583086.db2.gz ZCGRTRIJSZPYMQ-INIZCTEOSA-N 2 1 330.476 1.995 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000621154004 450601284 /nfs/dbraw/zinc/60/12/84/450601284.db2.gz DAMCQQXYRLYVMN-RBUKOAKNSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000621154004 450601288 /nfs/dbraw/zinc/60/12/88/450601288.db2.gz DAMCQQXYRLYVMN-RBUKOAKNSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+](C)[C@H](CNS(=O)(=O)CCC[NH+]1CCCC1)c1ccccc1 ZINC000631646451 450692587 /nfs/dbraw/zinc/69/25/87/450692587.db2.gz LZDNPEQLKKTLKU-QGZVFWFLSA-N 2 1 339.505 1.695 20 0 EDADMP CCc1ccc([C@H](CN2CCOCC2)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629522986 450725296 /nfs/dbraw/zinc/72/52/96/450725296.db2.gz DFFRJRJWYRAQTK-IBGZPJMESA-N 2 1 347.503 1.720 20 0 EDADMP O[C@H](C[NH2+][C@H]1CCN(c2c(F)cccc2F)C1)C[NH+]1CCCC1 ZINC000629562242 450737934 /nfs/dbraw/zinc/73/79/34/450737934.db2.gz CMKDPDGVRPJGNM-UONOGXRCSA-N 2 1 325.403 1.590 20 0 EDADMP COCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000629648228 450770227 /nfs/dbraw/zinc/77/02/27/450770227.db2.gz IQCSQXOQGKUCSX-SJORKVTESA-N 2 1 348.447 1.146 20 0 EDADMP COCc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000629648228 450770233 /nfs/dbraw/zinc/77/02/33/450770233.db2.gz IQCSQXOQGKUCSX-SJORKVTESA-N 2 1 348.447 1.146 20 0 EDADMP C[N@@H+](CCOCC[NH3+])Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000629665954 450774210 /nfs/dbraw/zinc/77/42/10/450774210.db2.gz YWDAVNRFDHYOSP-UHFFFAOYSA-N 2 1 332.404 1.255 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1C ZINC000633338552 450807974 /nfs/dbraw/zinc/80/79/74/450807974.db2.gz VJQUKZWDHMZOOR-WCXIOVBPSA-N 2 1 340.512 1.466 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000633338552 450807978 /nfs/dbraw/zinc/80/79/78/450807978.db2.gz VJQUKZWDHMZOOR-WCXIOVBPSA-N 2 1 340.512 1.466 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000633338552 450807979 /nfs/dbraw/zinc/80/79/79/450807979.db2.gz VJQUKZWDHMZOOR-WCXIOVBPSA-N 2 1 340.512 1.466 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000633338552 450807983 /nfs/dbraw/zinc/80/79/83/450807983.db2.gz VJQUKZWDHMZOOR-WCXIOVBPSA-N 2 1 340.512 1.466 20 0 EDADMP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000631840010 450808058 /nfs/dbraw/zinc/80/80/58/450808058.db2.gz OECQFCTULJTCNA-ZYHUDNBSSA-N 2 1 347.356 1.987 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000631840010 450808065 /nfs/dbraw/zinc/80/80/65/450808065.db2.gz OECQFCTULJTCNA-ZYHUDNBSSA-N 2 1 347.356 1.987 20 0 EDADMP O=C(CN[C@]12CCC[C@@H]1C[NH2+]C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000631868170 450836606 /nfs/dbraw/zinc/83/66/06/450836606.db2.gz ZFGPTEFMMCJVIW-QUCCMNQESA-N 2 1 342.487 1.063 20 0 EDADMP Cn1c2cc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)ccc2oc1=O ZINC000631829109 450800571 /nfs/dbraw/zinc/80/05/71/450800571.db2.gz HATXXZPGBYQTBM-IIDMSEBBSA-N 2 1 345.443 1.992 20 0 EDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000631830081 450802522 /nfs/dbraw/zinc/80/25/22/450802522.db2.gz IXOVCWBMPFYEBU-JYJNAYRXSA-N 2 1 333.480 1.424 20 0 EDADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624347644 450802491 /nfs/dbraw/zinc/80/24/91/450802491.db2.gz VRODPZWESHFRKF-RWMBFGLXSA-N 2 1 327.436 1.184 20 0 EDADMP [NH3+][C@H]1CCCCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000631834126 450803883 /nfs/dbraw/zinc/80/38/83/450803883.db2.gz PJULMWPBVSFXNC-IBGZPJMESA-N 2 1 344.503 1.534 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627740992 450910049 /nfs/dbraw/zinc/91/00/49/450910049.db2.gz MWGHLFXQSCHQAZ-UHFFFAOYSA-N 2 1 346.475 1.475 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000627740992 450910053 /nfs/dbraw/zinc/91/00/53/450910053.db2.gz MWGHLFXQSCHQAZ-UHFFFAOYSA-N 2 1 346.475 1.475 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1)C1CCC1 ZINC000629977753 450930139 /nfs/dbraw/zinc/93/01/39/450930139.db2.gz COIXKNHLBYNQLO-GOSISDBHSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+](CC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000629977753 450930144 /nfs/dbraw/zinc/93/01/44/450930144.db2.gz COIXKNHLBYNQLO-GOSISDBHSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+](CC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000629977753 450930151 /nfs/dbraw/zinc/93/01/51/450930151.db2.gz COIXKNHLBYNQLO-GOSISDBHSA-N 2 1 331.460 1.354 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH+](C)C1CCC1 ZINC000629983037 450933227 /nfs/dbraw/zinc/93/32/27/450933227.db2.gz NRXYFGMCKRLBFM-HXUWFJFHSA-N 2 1 345.487 1.566 20 0 EDADMP C[N@@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000629986771 450935999 /nfs/dbraw/zinc/93/59/99/450935999.db2.gz BQGWKTAJHIAPAY-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000629986771 450936003 /nfs/dbraw/zinc/93/60/03/450936003.db2.gz BQGWKTAJHIAPAY-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000629986771 450936007 /nfs/dbraw/zinc/93/60/07/450936007.db2.gz BQGWKTAJHIAPAY-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000629917908 450889631 /nfs/dbraw/zinc/88/96/31/450889631.db2.gz SLEZYPFMPAPCQH-SFHVURJKSA-N 2 1 331.460 1.469 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000626971928 451042350 /nfs/dbraw/zinc/04/23/50/451042350.db2.gz UWJHZUWAMMJRNN-OAHLLOKOSA-N 2 1 326.485 1.448 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626985640 451051959 /nfs/dbraw/zinc/05/19/59/451051959.db2.gz IVGZMRPGRQWAKU-XYJFISCASA-N 2 1 345.491 1.247 20 0 EDADMP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635559007 451055290 /nfs/dbraw/zinc/05/52/90/451055290.db2.gz OUVBGYAUBIEPKN-GOSISDBHSA-N 2 1 336.524 1.393 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635559007 451055296 /nfs/dbraw/zinc/05/52/96/451055296.db2.gz OUVBGYAUBIEPKN-GOSISDBHSA-N 2 1 336.524 1.393 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635559007 451055301 /nfs/dbraw/zinc/05/53/01/451055301.db2.gz OUVBGYAUBIEPKN-GOSISDBHSA-N 2 1 336.524 1.393 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000627012413 451076724 /nfs/dbraw/zinc/07/67/24/451076724.db2.gz AFPMQOXNMNGKGZ-DOTOQJQBSA-N 2 1 334.464 1.042 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000628059819 451111347 /nfs/dbraw/zinc/11/13/47/451111347.db2.gz ASVYZWZIWOJEGM-KRWDZBQOSA-N 2 1 328.416 1.075 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000628059819 451111353 /nfs/dbraw/zinc/11/13/53/451111353.db2.gz ASVYZWZIWOJEGM-KRWDZBQOSA-N 2 1 328.416 1.075 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632288851 451174899 /nfs/dbraw/zinc/17/48/99/451174899.db2.gz MLNBRKZBHKSTHJ-HNNXBMFYSA-N 2 1 331.526 1.512 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635770536 451229713 /nfs/dbraw/zinc/22/97/13/451229713.db2.gz NGXXNTFQYXSQRX-QGZVFWFLSA-N 2 1 347.503 1.982 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627211858 451188765 /nfs/dbraw/zinc/18/87/65/451188765.db2.gz PYWWMQDHNYMZML-UHFFFAOYSA-N 2 1 348.491 1.578 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cnn(C3CC[NH+](C)CC3)c1)C2 ZINC000634096844 451192153 /nfs/dbraw/zinc/19/21/53/451192153.db2.gz YNGFEFKOPILSCC-CQSZACIVSA-N 2 1 342.447 1.856 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000635748388 451216018 /nfs/dbraw/zinc/21/60/18/451216018.db2.gz BZFCILLDQLYOCE-IRXDYDNUSA-N 2 1 347.507 1.491 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000638098701 451264018 /nfs/dbraw/zinc/26/40/18/451264018.db2.gz DJENTDAZZIVPNX-KRWDZBQOSA-N 2 1 332.492 1.261 20 0 EDADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000638098344 451264034 /nfs/dbraw/zinc/26/40/34/451264034.db2.gz BTYIKHBICZTFCM-YLJYHZDGSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000638098344 451264038 /nfs/dbraw/zinc/26/40/38/451264038.db2.gz BTYIKHBICZTFCM-YLJYHZDGSA-N 2 1 345.487 1.876 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000638101100 451267578 /nfs/dbraw/zinc/26/75/78/451267578.db2.gz SVURORPHNVUOPA-RVKKMQEKSA-N 2 1 333.476 1.944 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C[NH3+])CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000638103479 451270288 /nfs/dbraw/zinc/27/02/88/451270288.db2.gz OTBSNQPJGLJTHA-POAQFYNOSA-N 2 1 345.487 1.911 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)C1 ZINC000638127252 451297346 /nfs/dbraw/zinc/29/73/46/451297346.db2.gz ALRNFWKQKHGTBH-AEFFLSMTSA-N 2 1 333.476 1.755 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000638133589 451304914 /nfs/dbraw/zinc/30/49/14/451304914.db2.gz JDBZYRLBOLLEGM-DFEHZGFQSA-N 2 1 331.460 1.518 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638214130 451357930 /nfs/dbraw/zinc/35/79/30/451357930.db2.gz WFUTXYNNXYTXTF-ZGXWSNOMSA-N 2 1 339.483 1.822 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)cc1 ZINC000640521129 451371509 /nfs/dbraw/zinc/37/15/09/451371509.db2.gz UEGUASKAASPDHO-QZTJIDSGSA-N 2 1 345.487 1.977 20 0 EDADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000635899286 451342718 /nfs/dbraw/zinc/34/27/18/451342718.db2.gz JZXONBMNSUFCCF-FUHWJXTLSA-N 2 1 335.492 1.574 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000638287307 451404129 /nfs/dbraw/zinc/40/41/29/451404129.db2.gz WOQLMFGJIWTQHS-NJAFHUGGSA-N 2 1 331.460 1.508 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1C ZINC000630826512 451422828 /nfs/dbraw/zinc/42/28/28/451422828.db2.gz JUJBSZHKOOVXAQ-MDMSPXHWSA-N 2 1 337.508 1.817 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000630826512 451422836 /nfs/dbraw/zinc/42/28/36/451422836.db2.gz JUJBSZHKOOVXAQ-MDMSPXHWSA-N 2 1 337.508 1.817 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000630826512 451422840 /nfs/dbraw/zinc/42/28/40/451422840.db2.gz JUJBSZHKOOVXAQ-MDMSPXHWSA-N 2 1 337.508 1.817 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000630826512 451422846 /nfs/dbraw/zinc/42/28/46/451422846.db2.gz JUJBSZHKOOVXAQ-MDMSPXHWSA-N 2 1 337.508 1.817 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1C ZINC000630826506 451423233 /nfs/dbraw/zinc/42/32/33/451423233.db2.gz JUJBSZHKOOVXAQ-FLXSYLCISA-N 2 1 337.508 1.817 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000630826506 451423240 /nfs/dbraw/zinc/42/32/40/451423240.db2.gz JUJBSZHKOOVXAQ-FLXSYLCISA-N 2 1 337.508 1.817 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000630826506 451423245 /nfs/dbraw/zinc/42/32/45/451423245.db2.gz JUJBSZHKOOVXAQ-FLXSYLCISA-N 2 1 337.508 1.817 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000630826506 451423252 /nfs/dbraw/zinc/42/32/52/451423252.db2.gz JUJBSZHKOOVXAQ-FLXSYLCISA-N 2 1 337.508 1.817 20 0 EDADMP COC[C@]1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCC[NH2+]1 ZINC000638309796 451423919 /nfs/dbraw/zinc/42/39/19/451423919.db2.gz NNGUWJXVZJODFQ-WDYCEAGBSA-N 2 1 335.492 1.620 20 0 EDADMP O[C@]1(CN2CC[NH+](CC3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634642532 451435869 /nfs/dbraw/zinc/43/58/69/451435869.db2.gz LPRLLOXXXIGZQQ-FQEVSTJZSA-N 2 1 329.488 1.651 20 0 EDADMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(OC)ns3)cn2)CC1 ZINC000638373400 451470713 /nfs/dbraw/zinc/47/07/13/451470713.db2.gz QMWGFXKEMVQPNT-UHFFFAOYSA-N 2 1 347.488 1.978 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634699252 451472276 /nfs/dbraw/zinc/47/22/76/451472276.db2.gz HBTHKPUEDDNCDF-IAGOWNOFSA-N 2 1 328.497 1.381 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000638399574 451488554 /nfs/dbraw/zinc/48/85/54/451488554.db2.gz IXIVCZDDIAGBBD-OKZBNKHCSA-N 2 1 331.460 1.698 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638335842 451441366 /nfs/dbraw/zinc/44/13/66/451441366.db2.gz WLEHKJNGZMKYMX-CAIZAGQASA-N 2 1 343.471 1.473 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638337787 451441929 /nfs/dbraw/zinc/44/19/29/451441929.db2.gz JZQDUQKFAAJFLC-GBESFXJTSA-N 2 1 343.471 1.249 20 0 EDADMP CN(C)c1cc(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccn1 ZINC000640597287 451442334 /nfs/dbraw/zinc/44/23/34/451442334.db2.gz BIHYHKZTPCSDFU-OAHLLOKOSA-N 2 1 333.436 1.211 20 0 EDADMP CN(C)c1cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc[nH+]1 ZINC000640597287 451442341 /nfs/dbraw/zinc/44/23/41/451442341.db2.gz BIHYHKZTPCSDFU-OAHLLOKOSA-N 2 1 333.436 1.211 20 0 EDADMP CN(C)c1cc(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc[nH+]1 ZINC000640597287 451442345 /nfs/dbraw/zinc/44/23/45/451442345.db2.gz BIHYHKZTPCSDFU-OAHLLOKOSA-N 2 1 333.436 1.211 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638415791 451500570 /nfs/dbraw/zinc/50/05/70/451500570.db2.gz LPHQFKUPGGWMJZ-ICSRJNTNSA-N 2 1 345.487 1.517 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1sc2ncccc2c1N ZINC000636162387 451556699 /nfs/dbraw/zinc/55/66/99/451556699.db2.gz ZEAIJICWGBCEKV-LBPRGKRZSA-N 2 1 349.504 1.880 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1sc2ncccc2c1N ZINC000636162387 451556704 /nfs/dbraw/zinc/55/67/04/451556704.db2.gz ZEAIJICWGBCEKV-LBPRGKRZSA-N 2 1 349.504 1.880 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)[C@]12CCCO2 ZINC000638565238 451580180 /nfs/dbraw/zinc/58/01/80/451580180.db2.gz RNKUPQANEXISPU-IPMKNSEASA-N 2 1 339.524 1.576 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CCCN1 ZINC000638686427 451653443 /nfs/dbraw/zinc/65/34/43/451653443.db2.gz LMQSLTYCYDOQIU-KZNAEPCWSA-N 2 1 331.460 1.128 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CCCN1 ZINC000638686427 451653446 /nfs/dbraw/zinc/65/34/46/451653446.db2.gz LMQSLTYCYDOQIU-KZNAEPCWSA-N 2 1 331.460 1.128 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000638834921 451705761 /nfs/dbraw/zinc/70/57/61/451705761.db2.gz IFFKSRAOOKTCIX-WBVHZDCISA-N 2 1 331.460 1.249 20 0 EDADMP O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850040 451710400 /nfs/dbraw/zinc/71/04/00/451710400.db2.gz AYMDKBJGVJLHBP-RBUKOAKNSA-N 2 1 345.487 1.926 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C[C@H](C)O1 ZINC000638925150 451737485 /nfs/dbraw/zinc/73/74/85/451737485.db2.gz IYGKOUKSCYOXBU-FDCRZUCXSA-N 2 1 343.471 1.872 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C[C@H](C)O1 ZINC000638925150 451737489 /nfs/dbraw/zinc/73/74/89/451737489.db2.gz IYGKOUKSCYOXBU-FDCRZUCXSA-N 2 1 343.471 1.872 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000638934371 451739412 /nfs/dbraw/zinc/73/94/12/451739412.db2.gz HEIGIQORPCNWCX-ATNYBXOESA-N 2 1 331.460 1.858 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3CSCC[NH2+]3)C2)cc1 ZINC000639006780 451751680 /nfs/dbraw/zinc/75/16/80/451751680.db2.gz ZCVYVPWAFCPKRP-DLBZAZTESA-N 2 1 333.501 1.781 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639020391 451753233 /nfs/dbraw/zinc/75/32/33/451753233.db2.gz FGVSGLPAGGALLS-GUDVDZBRSA-N 2 1 342.487 1.894 20 0 EDADMP CC[C@H](C)[C@H](C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000639168525 451783996 /nfs/dbraw/zinc/78/39/96/451783996.db2.gz ABKSVVRPQOUJQP-RDJZCZTQSA-N 2 1 325.497 1.534 20 0 EDADMP CN(C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000641215652 451784893 /nfs/dbraw/zinc/78/48/93/451784893.db2.gz CPWMXSZYGZRENI-VYDXJSESSA-N 2 1 337.512 1.066 20 0 EDADMP CN(C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000641215652 451784894 /nfs/dbraw/zinc/78/48/94/451784894.db2.gz CPWMXSZYGZRENI-VYDXJSESSA-N 2 1 337.512 1.066 20 0 EDADMP CC[NH+](CC)Cc1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641229989 451791448 /nfs/dbraw/zinc/79/14/48/451791448.db2.gz NYURCOJRMNFHOR-LJQANCHMSA-N 2 1 343.475 1.757 20 0 EDADMP CC[NH+](CC)Cc1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641229989 451791451 /nfs/dbraw/zinc/79/14/51/451791451.db2.gz NYURCOJRMNFHOR-LJQANCHMSA-N 2 1 343.475 1.757 20 0 EDADMP C[N@@H+](CCCC[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)C1CC1 ZINC000639243636 451797999 /nfs/dbraw/zinc/79/79/99/451797999.db2.gz CHMZJTRZUCORJB-UHFFFAOYSA-N 2 1 331.526 1.701 20 0 EDADMP CC(C)OC[C@@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000644527860 451843399 /nfs/dbraw/zinc/84/33/99/451843399.db2.gz AKDSZQSOUJDCTQ-LPHOPBHVSA-N 2 1 336.476 1.783 20 0 EDADMP CC(C)OC[C@@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000644527860 451843404 /nfs/dbraw/zinc/84/34/04/451843404.db2.gz AKDSZQSOUJDCTQ-LPHOPBHVSA-N 2 1 336.476 1.783 20 0 EDADMP CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000644618491 451897656 /nfs/dbraw/zinc/89/76/56/451897656.db2.gz OGGKCARYWNGRFG-OALUTQOASA-N 2 1 336.476 1.519 20 0 EDADMP CN1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000641323708 451847821 /nfs/dbraw/zinc/84/78/21/451847821.db2.gz NTWHFFISFNHJHM-MRXNPFEDSA-N 2 1 349.500 1.437 20 0 EDADMP OCCO[C@@H]1CCC[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639491198 451898994 /nfs/dbraw/zinc/89/89/94/451898994.db2.gz ZSYGOJOUQMWADZ-RTBURBONSA-N 2 1 334.460 1.097 20 0 EDADMP OCCO[C@@H]1CCCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639491198 451899002 /nfs/dbraw/zinc/89/90/02/451899002.db2.gz ZSYGOJOUQMWADZ-RTBURBONSA-N 2 1 334.460 1.097 20 0 EDADMP OCCO[C@@H]1CCCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639491198 451899011 /nfs/dbraw/zinc/89/90/11/451899011.db2.gz ZSYGOJOUQMWADZ-RTBURBONSA-N 2 1 334.460 1.097 20 0 EDADMP OCCO[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639491198 451899019 /nfs/dbraw/zinc/89/90/19/451899019.db2.gz ZSYGOJOUQMWADZ-RTBURBONSA-N 2 1 334.460 1.097 20 0 EDADMP OCCO[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639491198 451899022 /nfs/dbraw/zinc/89/90/22/451899022.db2.gz ZSYGOJOUQMWADZ-RTBURBONSA-N 2 1 334.460 1.097 20 0 EDADMP OCCO[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639491198 451899032 /nfs/dbraw/zinc/89/90/32/451899032.db2.gz ZSYGOJOUQMWADZ-RTBURBONSA-N 2 1 334.460 1.097 20 0 EDADMP OCCO[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639491198 451899041 /nfs/dbraw/zinc/89/90/41/451899041.db2.gz ZSYGOJOUQMWADZ-RTBURBONSA-N 2 1 334.460 1.097 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000637469279 451885107 /nfs/dbraw/zinc/88/51/07/451885107.db2.gz AASLZPMNXGUDQY-WBVHZDCISA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000637469279 451885112 /nfs/dbraw/zinc/88/51/12/451885112.db2.gz AASLZPMNXGUDQY-WBVHZDCISA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000637469279 451885117 /nfs/dbraw/zinc/88/51/17/451885117.db2.gz AASLZPMNXGUDQY-WBVHZDCISA-N 2 1 338.496 1.149 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000637473307 451891506 /nfs/dbraw/zinc/89/15/06/451891506.db2.gz OMOQJLYGGOMQCF-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP C[N@@H+](C[C@@H](O)CNCc1cccc(CN2CCOCC2)c1)C1CC1 ZINC000644524537 451841878 /nfs/dbraw/zinc/84/18/78/451841878.db2.gz PHHIHEAQYFPNBV-IBGZPJMESA-N 3 1 333.476 1.064 20 0 EDADMP O=C([C@H]1CCc2cncn2C1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000649209205 451905809 /nfs/dbraw/zinc/90/58/09/451905809.db2.gz GVZFAFJJJWSECD-RDJZCZTQSA-N 2 1 332.448 1.159 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639511918 451915895 /nfs/dbraw/zinc/91/58/95/451915895.db2.gz QXQAILOJPLJODY-PMACEKPBSA-N 2 1 331.504 1.897 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639511918 451915897 /nfs/dbraw/zinc/91/58/97/451915897.db2.gz QXQAILOJPLJODY-PMACEKPBSA-N 2 1 331.504 1.897 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639511918 451915900 /nfs/dbraw/zinc/91/59/00/451915900.db2.gz QXQAILOJPLJODY-PMACEKPBSA-N 2 1 331.504 1.897 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)[C@H]2C1 ZINC000646928315 451944071 /nfs/dbraw/zinc/94/40/71/451944071.db2.gz XKUFHCQGBJHWHH-MOPGFXCFSA-N 2 1 342.487 1.210 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)cc2)CC1 ZINC000646928315 451944082 /nfs/dbraw/zinc/94/40/82/451944082.db2.gz XKUFHCQGBJHWHH-MOPGFXCFSA-N 2 1 342.487 1.210 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)cc2)CC1 ZINC000646928315 451944086 /nfs/dbraw/zinc/94/40/86/451944086.db2.gz XKUFHCQGBJHWHH-MOPGFXCFSA-N 2 1 342.487 1.210 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646940611 451956129 /nfs/dbraw/zinc/95/61/29/451956129.db2.gz JAYOSJFVDOFMIO-UYAOXDASSA-N 2 1 347.503 1.370 20 0 EDADMP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639607842 451971171 /nfs/dbraw/zinc/97/11/71/451971171.db2.gz WPNLHWFKSRTVQT-HLNWXESRSA-N 2 1 343.471 1.209 20 0 EDADMP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639607842 451971177 /nfs/dbraw/zinc/97/11/77/451971177.db2.gz WPNLHWFKSRTVQT-HLNWXESRSA-N 2 1 343.471 1.209 20 0 EDADMP C[N@H+]1CC[C@@](N)(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000649312853 451991509 /nfs/dbraw/zinc/99/15/09/451991509.db2.gz DCLFRWCADNQIIL-SFHVURJKSA-N 2 1 348.516 1.249 20 0 EDADMP O[C@]1(C[N@@H+]2CC[C@@H](n3cccn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639651468 452000494 /nfs/dbraw/zinc/00/04/94/452000494.db2.gz YCBMVGYCHBTYNS-MOPGFXCFSA-N 2 1 326.444 1.767 20 0 EDADMP O[C@]1(C[N@H+]2CC[C@@H](n3cccn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639651468 452000500 /nfs/dbraw/zinc/00/05/00/452000500.db2.gz YCBMVGYCHBTYNS-MOPGFXCFSA-N 2 1 326.444 1.767 20 0 EDADMP O[C@]1(C[NH+]2CC[C@@H](n3cccn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639651468 452000504 /nfs/dbraw/zinc/00/05/04/452000504.db2.gz YCBMVGYCHBTYNS-MOPGFXCFSA-N 2 1 326.444 1.767 20 0 EDADMP O[C@]1(C[NH+]2CC[C@@H](n3cccn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639651468 452000508 /nfs/dbraw/zinc/00/05/08/452000508.db2.gz YCBMVGYCHBTYNS-MOPGFXCFSA-N 2 1 326.444 1.767 20 0 EDADMP Cn1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)c([C@@H]2CCC[NH2+]C2)n1 ZINC000649326542 452006849 /nfs/dbraw/zinc/00/68/49/452006849.db2.gz BJHXVSSOXRVBAD-OIISXLGYSA-N 2 1 345.491 1.586 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)C1 ZINC000649343897 452025246 /nfs/dbraw/zinc/02/52/46/452025246.db2.gz ASNMUIDRYBRKIL-NXHRZFHOSA-N 2 1 347.507 1.222 20 0 EDADMP O=S(=O)(Cc1ccccc1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000643056250 452028119 /nfs/dbraw/zinc/02/81/19/452028119.db2.gz YUSUTBNDXAJZKU-INIZCTEOSA-N 2 1 337.489 1.134 20 0 EDADMP Cc1ccc(N2CCC(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)[nH+]c1 ZINC000647082192 452049571 /nfs/dbraw/zinc/04/95/71/452049571.db2.gz SMFQTPZEOVNJNM-MRXNPFEDSA-N 2 1 332.448 1.101 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@]2(N)CC[NH+](C)C2)CC1 ZINC000649378637 452052306 /nfs/dbraw/zinc/05/23/06/452052306.db2.gz PUPYQSLPQHXZOJ-QFBILLFUSA-N 2 1 336.524 1.523 20 0 EDADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@]2(N)CC[N@H+](C)C2)CC1 ZINC000649378637 452052312 /nfs/dbraw/zinc/05/23/12/452052312.db2.gz PUPYQSLPQHXZOJ-QFBILLFUSA-N 2 1 336.524 1.523 20 0 EDADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@]2(N)CC[N@@H+](C)C2)CC1 ZINC000649378637 452052317 /nfs/dbraw/zinc/05/23/17/452052317.db2.gz PUPYQSLPQHXZOJ-QFBILLFUSA-N 2 1 336.524 1.523 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@]2([NH3+])CCN(C)C2)CC1 ZINC000649378637 452052322 /nfs/dbraw/zinc/05/23/22/452052322.db2.gz PUPYQSLPQHXZOJ-QFBILLFUSA-N 2 1 336.524 1.523 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@]2([NH3+])CCN(C)C2)CC1 ZINC000649378637 452052330 /nfs/dbraw/zinc/05/23/30/452052330.db2.gz PUPYQSLPQHXZOJ-QFBILLFUSA-N 2 1 336.524 1.523 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)c1nccnc1N(C)C[C@@H]1CCC[N@H+]1C ZINC000643197845 452063929 /nfs/dbraw/zinc/06/39/29/452063929.db2.gz DPURJPWMOJKSNS-HOTGVXAUSA-N 2 1 332.496 1.537 20 0 EDADMP O=C(CN1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000649419145 452081892 /nfs/dbraw/zinc/08/18/92/452081892.db2.gz GZBJIYLDQMHGOT-MOPGFXCFSA-N 2 1 342.487 1.015 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000639758241 452096290 /nfs/dbraw/zinc/09/62/90/452096290.db2.gz RHDMOHAVTJTUIL-OAHLLOKOSA-N 2 1 348.443 1.573 20 0 EDADMP [NH3+]C[C@H]1CCCCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637815651 452098648 /nfs/dbraw/zinc/09/86/48/452098648.db2.gz BWRGHSLRJHMOIR-GOSISDBHSA-N 3 1 344.503 1.710 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647179572 452108905 /nfs/dbraw/zinc/10/89/05/452108905.db2.gz FBUKBCPLQBGXAK-UHFFFAOYSA-N 2 1 342.491 1.631 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(CO)cc3)cn2)CC1 ZINC000647229415 452135653 /nfs/dbraw/zinc/13/56/53/452135653.db2.gz IYYDXKUBTNCBQW-UHFFFAOYSA-N 2 1 327.432 1.011 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2(COC)CC[NH2+]CC2)[C@@H](C)C1 ZINC000641757942 452240146 /nfs/dbraw/zinc/24/01/46/452240146.db2.gz MOJHMFDMZTXZFF-HOTGVXAUSA-N 2 1 340.512 1.374 20 0 EDADMP CC[C@H](CCO)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638005436 452242953 /nfs/dbraw/zinc/24/29/53/452242953.db2.gz QINDQNGWWKRRPB-QGZVFWFLSA-N 2 1 347.503 1.895 20 0 EDADMP C[C@@H](O)C[C@H](C)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638014861 452255112 /nfs/dbraw/zinc/25/51/12/452255112.db2.gz GNXDVBWFKZTWKC-DLBZAZTESA-N 2 1 347.503 1.893 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](CO)c1cccnc1 ZINC000647527357 452263224 /nfs/dbraw/zinc/26/32/24/452263224.db2.gz UGYBQMPHIOIFPW-RTBURBONSA-N 2 1 329.444 1.240 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](CO)c1cccnc1 ZINC000647527357 452263233 /nfs/dbraw/zinc/26/32/33/452263233.db2.gz UGYBQMPHIOIFPW-RTBURBONSA-N 2 1 329.444 1.240 20 0 EDADMP Cc1ccc(C[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000647530188 452264381 /nfs/dbraw/zinc/26/43/81/452264381.db2.gz ZEMCHTBZCUKVMA-SFTDATJTSA-N 2 1 342.483 1.981 20 0 EDADMP Cc1ccc(C[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000647530188 452264395 /nfs/dbraw/zinc/26/43/95/452264395.db2.gz ZEMCHTBZCUKVMA-SFTDATJTSA-N 2 1 342.483 1.981 20 0 EDADMP O=C(NC1CC1)c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000647541269 452273311 /nfs/dbraw/zinc/27/33/11/452273311.db2.gz VPPUHSWRDXXCPQ-SFHVURJKSA-N 2 1 328.460 1.058 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000641801161 452275400 /nfs/dbraw/zinc/27/54/00/452275400.db2.gz ARRTWCNIQZXUBT-NXEZZACHSA-N 2 1 327.226 1.498 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487765 452284328 /nfs/dbraw/zinc/28/43/28/452284328.db2.gz NFFPCQDMGIWJPP-OAGGEKHMSA-N 2 1 333.476 1.676 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487765 452284340 /nfs/dbraw/zinc/28/43/40/452284340.db2.gz NFFPCQDMGIWJPP-OAGGEKHMSA-N 2 1 333.476 1.676 20 0 EDADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641806339 452285212 /nfs/dbraw/zinc/28/52/12/452285212.db2.gz QRPSHAVWUWIGBS-KBRIMQKVSA-N 2 1 347.459 1.390 20 0 EDADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641806340 452285335 /nfs/dbraw/zinc/28/53/35/452285335.db2.gz QRPSHAVWUWIGBS-XOKHGSTOSA-N 2 1 347.459 1.390 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1OC ZINC000641807828 452287551 /nfs/dbraw/zinc/28/75/51/452287551.db2.gz SCNBCFZHHGYRSF-JCURWCKSSA-N 2 1 349.475 1.766 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCCOc1ccc(Cl)cc1 ZINC000641809675 452290206 /nfs/dbraw/zinc/29/02/06/452290206.db2.gz YMONIZXWPUTGQS-KBPBESRZSA-N 2 1 325.840 1.550 20 0 EDADMP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000659451021 452300973 /nfs/dbraw/zinc/30/09/73/452300973.db2.gz LKEBLMIBOQPWJX-ZJRDLVKKSA-N 2 1 342.487 1.684 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CCN(c3[nH+]ccc4[nH]ccc43)CC2)CC1 ZINC000663581524 452307343 /nfs/dbraw/zinc/30/73/43/452307343.db2.gz OCOLHFIXIBMATH-UHFFFAOYSA-N 2 1 341.459 1.943 20 0 EDADMP CCN(C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000663583639 452310608 /nfs/dbraw/zinc/31/06/08/452310608.db2.gz BYJBLXWYLQEDMM-KRWDZBQOSA-N 2 1 348.491 1.863 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000659460822 452316417 /nfs/dbraw/zinc/31/64/17/452316417.db2.gz UIMQOPLBIONPBC-VDHUWJSZSA-N 2 1 330.476 1.914 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)C(F)(F)F ZINC000663600643 452327804 /nfs/dbraw/zinc/32/78/04/452327804.db2.gz WCUKHDXDCXKQIF-CHWSQXEVSA-N 2 1 336.402 1.687 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638054252 452334586 /nfs/dbraw/zinc/33/45/86/452334586.db2.gz DXDGKXILQMQIJR-IEBWSBKVSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638054252 452334594 /nfs/dbraw/zinc/33/45/94/452334594.db2.gz DXDGKXILQMQIJR-IEBWSBKVSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638054252 452334606 /nfs/dbraw/zinc/33/46/06/452334606.db2.gz DXDGKXILQMQIJR-IEBWSBKVSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638054252 452334616 /nfs/dbraw/zinc/33/46/16/452334616.db2.gz DXDGKXILQMQIJR-IEBWSBKVSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638054252 452334623 /nfs/dbraw/zinc/33/46/23/452334623.db2.gz DXDGKXILQMQIJR-IEBWSBKVSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@@H](O)C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665762580 452339834 /nfs/dbraw/zinc/33/98/34/452339834.db2.gz JECFUXDASDAIPI-BBWFWOEESA-N 2 1 342.528 1.593 20 0 EDADMP C[C@@H](O)C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665762580 452339842 /nfs/dbraw/zinc/33/98/42/452339842.db2.gz JECFUXDASDAIPI-BBWFWOEESA-N 2 1 342.528 1.593 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000652150310 452342118 /nfs/dbraw/zinc/34/21/18/452342118.db2.gz SAZQMCJFSLJOSM-KRWDZBQOSA-N 2 1 334.464 1.316 20 0 EDADMP CCO[C@@H]1CN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000652148073 452343324 /nfs/dbraw/zinc/34/33/24/452343324.db2.gz MUOSFYIVUVDTLK-QKPAOTATSA-N 2 1 326.485 1.255 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638057402 452345403 /nfs/dbraw/zinc/34/54/03/452345403.db2.gz CANYYWOGYBJRFW-UHFFFAOYSA-N 2 1 331.460 1.056 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC000659490045 452351356 /nfs/dbraw/zinc/35/13/56/452351356.db2.gz NEVIYRFGDCWSGT-BRWVUGGUSA-N 2 1 334.439 1.589 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)Cc2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000638061044 452354226 /nfs/dbraw/zinc/35/42/26/452354226.db2.gz XOYYWWKNXHAKLT-IYBDPMFKSA-N 2 1 345.487 1.490 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000638070624 452378442 /nfs/dbraw/zinc/37/84/42/452378442.db2.gz SOHWOIWTXQELRT-XYJFISCASA-N 2 1 333.476 1.767 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000659522646 452386888 /nfs/dbraw/zinc/38/68/88/452386888.db2.gz FDSWSXLQSBVLKR-QZTJIDSGSA-N 2 1 348.491 1.570 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000638076175 452390848 /nfs/dbraw/zinc/39/08/48/452390848.db2.gz WENNJOPTFNUKEX-SUMWQHHRSA-N 2 1 330.432 1.522 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@]2(COC)CCCC[NH2+]2)c1 ZINC000638078659 452393128 /nfs/dbraw/zinc/39/31/28/452393128.db2.gz DYSJUZUAGLHHAS-LJQANCHMSA-N 2 1 333.476 1.913 20 0 EDADMP C[C@@H](CC[N@@H+](C)CC(=O)N1CCN(C)CC1)OCc1ccccc1 ZINC000640051738 452394876 /nfs/dbraw/zinc/39/48/76/452394876.db2.gz YFMGZTIOJSBVBY-KRWDZBQOSA-N 2 1 333.476 1.688 20 0 EDADMP C[C@@H](CCN(C)CC(=O)N1CCN(C)CC1)OCc1ccccc1 ZINC000640051738 452394883 /nfs/dbraw/zinc/39/48/83/452394883.db2.gz YFMGZTIOJSBVBY-KRWDZBQOSA-N 2 1 333.476 1.688 20 0 EDADMP C[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](C)[C@H]3CO)COC2)[C@@H]1CO ZINC000640057047 452400299 /nfs/dbraw/zinc/40/02/99/452400299.db2.gz OEEQDXKYJOQUEY-BRSBDYLESA-N 2 1 340.508 1.189 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC2CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652202951 452400832 /nfs/dbraw/zinc/40/08/32/452400832.db2.gz ZCVXRYGUMCXAQS-GOSISDBHSA-N 2 1 330.476 1.554 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC2CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652202951 452400837 /nfs/dbraw/zinc/40/08/37/452400837.db2.gz ZCVXRYGUMCXAQS-GOSISDBHSA-N 2 1 330.476 1.554 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCCC2)C[C@@H]1Cc1ccccc1 ZINC000659574316 452429581 /nfs/dbraw/zinc/42/95/81/452429581.db2.gz NSHVXSLHGZBKTA-KRWDZBQOSA-N 2 1 330.476 1.826 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC2([NH3+])CCCC2)C[C@@H]1Cc1ccccc1 ZINC000659574316 452429588 /nfs/dbraw/zinc/42/95/88/452429588.db2.gz NSHVXSLHGZBKTA-KRWDZBQOSA-N 2 1 330.476 1.826 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654380878 452431835 /nfs/dbraw/zinc/43/18/35/452431835.db2.gz ILQRKHIKTVQZAC-UUAJXVIYSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654380878 452431842 /nfs/dbraw/zinc/43/18/42/452431842.db2.gz ILQRKHIKTVQZAC-UUAJXVIYSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654380878 452431851 /nfs/dbraw/zinc/43/18/51/452431851.db2.gz ILQRKHIKTVQZAC-UUAJXVIYSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654380878 452431858 /nfs/dbraw/zinc/43/18/58/452431858.db2.gz ILQRKHIKTVQZAC-UUAJXVIYSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654380878 452431868 /nfs/dbraw/zinc/43/18/68/452431868.db2.gz ILQRKHIKTVQZAC-UUAJXVIYSA-N 2 1 338.496 1.410 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000659608987 452465158 /nfs/dbraw/zinc/46/51/58/452465158.db2.gz HJYVLAUUVDWDLU-QBPKDAKJSA-N 2 1 348.491 1.023 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000659611636 452467213 /nfs/dbraw/zinc/46/72/13/452467213.db2.gz SRAVFHPUSSZXRK-VVLHAWIVSA-N 2 1 338.496 1.399 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)[C@@H](C)C[NH2+]1 ZINC000659611592 452467502 /nfs/dbraw/zinc/46/75/02/452467502.db2.gz SGMQLOGOQNFGLM-QKPAOTATSA-N 2 1 336.480 1.022 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000659644877 452506788 /nfs/dbraw/zinc/50/67/88/452506788.db2.gz HMWKBFHZWVLZQI-QGZVFWFLSA-N 2 1 347.507 1.054 20 0 EDADMP c1cc(OCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc2c1OCO2 ZINC000655697344 452517905 /nfs/dbraw/zinc/51/79/05/452517905.db2.gz NUBOSLXKEPUMEY-HNNXBMFYSA-N 2 1 334.416 1.637 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(=O)n4ccccc4n3)C2)C1 ZINC000652345520 452520069 /nfs/dbraw/zinc/52/00/69/452520069.db2.gz DEWNSJRXWDERDJ-ZMSDIMECSA-N 2 1 342.443 1.413 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3nc(-c4ccccn4)no3)C2)C1 ZINC000652348454 452522075 /nfs/dbraw/zinc/52/20/75/452522075.db2.gz FFPYDSXPOBGLFZ-IIAWOOMASA-N 2 1 343.431 1.850 20 0 EDADMP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346888 452522466 /nfs/dbraw/zinc/52/24/66/452522466.db2.gz LALHMWATXHRVNC-QAETUUGQSA-N 2 1 325.497 1.756 20 0 EDADMP CCCN(CCC)C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347217 452523445 /nfs/dbraw/zinc/52/34/45/452523445.db2.gz VYJVUUIXTXFYOT-GVDBMIGSSA-N 2 1 325.497 1.853 20 0 EDADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793387 452524566 /nfs/dbraw/zinc/52/45/66/452524566.db2.gz WEIBLEXKSBCBHR-IFLJBQAJSA-N 3 1 343.515 1.847 20 0 EDADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793387 452524576 /nfs/dbraw/zinc/52/45/76/452524576.db2.gz WEIBLEXKSBCBHR-IFLJBQAJSA-N 3 1 343.515 1.847 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1nccs1 ZINC000652348738 452525370 /nfs/dbraw/zinc/52/53/70/452525370.db2.gz PKTYUPOTAZZFSI-BFHYXJOUSA-N 2 1 338.477 1.324 20 0 EDADMP CN(C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1nccs1 ZINC000652348738 452525378 /nfs/dbraw/zinc/52/53/78/452525378.db2.gz PKTYUPOTAZZFSI-BFHYXJOUSA-N 2 1 338.477 1.324 20 0 EDADMP CCCN(CCC)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361872 452542770 /nfs/dbraw/zinc/54/27/70/452542770.db2.gz ROZJYVZVUBYWTB-BBWFWOEESA-N 2 1 325.497 1.996 20 0 EDADMP Cn1c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)nnc1C1CCC1 ZINC000652363914 452545293 /nfs/dbraw/zinc/54/52/93/452545293.db2.gz RVVOEXRTLIDIIA-BZUAXINKSA-N 2 1 333.480 1.943 20 0 EDADMP Cn1c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)nnc1C1CCC1 ZINC000652363914 452545302 /nfs/dbraw/zinc/54/53/02/452545302.db2.gz RVVOEXRTLIDIIA-BZUAXINKSA-N 2 1 333.480 1.943 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654487535 452558517 /nfs/dbraw/zinc/55/85/17/452558517.db2.gz LRMRYTWWAPBGNP-NCOADZHNSA-N 2 1 340.512 1.658 20 0 EDADMP OCCC[N@H+]1CCC[C@@H]1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655771102 452568872 /nfs/dbraw/zinc/56/88/72/452568872.db2.gz AGZJDUSPEJWVHU-QZTJIDSGSA-N 2 1 325.497 1.066 20 0 EDADMP CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647834992 452569938 /nfs/dbraw/zinc/56/99/38/452569938.db2.gz IJBKNBBOACMAJA-MJGOQNOKSA-N 2 1 346.519 1.870 20 0 EDADMP CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647834992 452569952 /nfs/dbraw/zinc/56/99/52/452569952.db2.gz IJBKNBBOACMAJA-MJGOQNOKSA-N 2 1 346.519 1.870 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)C1 ZINC000652400089 452591330 /nfs/dbraw/zinc/59/13/30/452591330.db2.gz VYQQMECFBCWIFK-MRXNPFEDSA-N 2 1 340.512 1.023 20 0 EDADMP C[N@@H+](C[C@H](O)COc1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000647881169 452621610 /nfs/dbraw/zinc/62/16/10/452621610.db2.gz KPJJLZGBUYSSSM-JSGCOSHPSA-N 2 1 332.366 1.986 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654569419 452654674 /nfs/dbraw/zinc/65/46/74/452654674.db2.gz IDDHMNRPUVEOQL-LUKYLMHMSA-N 2 1 342.528 1.904 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654569419 452654680 /nfs/dbraw/zinc/65/46/80/452654680.db2.gz IDDHMNRPUVEOQL-LUKYLMHMSA-N 2 1 342.528 1.904 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654569419 452654685 /nfs/dbraw/zinc/65/46/85/452654685.db2.gz IDDHMNRPUVEOQL-LUKYLMHMSA-N 2 1 342.528 1.904 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654569419 452654689 /nfs/dbraw/zinc/65/46/89/452654689.db2.gz IDDHMNRPUVEOQL-LUKYLMHMSA-N 2 1 342.528 1.904 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654569419 452654694 /nfs/dbraw/zinc/65/46/94/452654694.db2.gz IDDHMNRPUVEOQL-LUKYLMHMSA-N 2 1 342.528 1.904 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000647965615 452709814 /nfs/dbraw/zinc/70/98/14/452709814.db2.gz CLSBRCZMUQHWLU-KRWDZBQOSA-N 2 1 327.513 1.264 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970250 452752993 /nfs/dbraw/zinc/75/29/93/452752993.db2.gz FWLBFIATPJASML-JONQDZQNSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970250 452752997 /nfs/dbraw/zinc/75/29/97/452752997.db2.gz FWLBFIATPJASML-JONQDZQNSA-N 2 1 326.485 1.255 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)C1CC1 ZINC000664093425 452783502 /nfs/dbraw/zinc/78/35/02/452783502.db2.gz FJNRQZWDHPSYPG-HZPDHXFCSA-N 2 1 336.480 1.023 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1CC1 ZINC000664093425 452783515 /nfs/dbraw/zinc/78/35/15/452783515.db2.gz FJNRQZWDHPSYPG-HZPDHXFCSA-N 2 1 336.480 1.023 20 0 EDADMP C[N@H+]1CC[C@H]2OCCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)[C@H]2C1 ZINC000648175716 452887456 /nfs/dbraw/zinc/88/74/56/452887456.db2.gz OMMHVJGBQIOKES-ZWKOTPCHSA-N 2 1 343.471 1.239 20 0 EDADMP CCO[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@H]1C[NH3+] ZINC000650714837 452948280 /nfs/dbraw/zinc/94/82/80/452948280.db2.gz FKEJIFCRTCJARV-RHSMWYFYSA-N 2 1 330.432 1.881 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@H]1C[NH3+] ZINC000650714837 452948291 /nfs/dbraw/zinc/94/82/91/452948291.db2.gz FKEJIFCRTCJARV-RHSMWYFYSA-N 2 1 330.432 1.881 20 0 EDADMP CCN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CC[N@@H+](CC)C1 ZINC000664310154 452984619 /nfs/dbraw/zinc/98/46/19/452984619.db2.gz ANUQYWDMEXBLTJ-GOEBONIOSA-N 2 1 328.526 1.549 20 0 EDADMP CCN1C[C@H](C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)Oc2ccccc21 ZINC000662261200 452990951 /nfs/dbraw/zinc/99/09/51/452990951.db2.gz UPVHMCWNQHPFBG-CVEARBPZSA-N 2 1 331.460 1.727 20 0 EDADMP FC1(F)Oc2ccc(CC[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)cc2O1 ZINC000662274354 453003055 /nfs/dbraw/zinc/00/30/55/453003055.db2.gz WHBLHHNVYKVTGM-CQSZACIVSA-N 2 1 339.386 1.530 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1 ZINC000662315422 453032602 /nfs/dbraw/zinc/03/26/02/453032602.db2.gz FIFIHNASPHEJRN-WBVHZDCISA-N 2 1 331.460 1.682 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646046974 453052930 /nfs/dbraw/zinc/05/29/30/453052930.db2.gz VMUYTIGNHUOSPO-KRWDZBQOSA-N 2 1 330.476 1.265 20 0 EDADMP Cc1csc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662336763 453053351 /nfs/dbraw/zinc/05/33/51/453053351.db2.gz GMBUAVLQWUZAFA-CQSZACIVSA-N 2 1 346.504 1.964 20 0 EDADMP Nc1cc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)ccn1 ZINC000662337902 453055149 /nfs/dbraw/zinc/05/51/49/453055149.db2.gz NQWHOYBEZNAULE-HNNXBMFYSA-N 2 1 341.463 1.176 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCN2C[C@H](C)OC[C@@H]2C)C1 ZINC000664395704 453059593 /nfs/dbraw/zinc/05/95/93/453059593.db2.gz IYNZHNSMLCQVLO-YESZJQIVSA-N 2 1 340.512 1.373 20 0 EDADMP CO[C@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC000660141072 453071684 /nfs/dbraw/zinc/07/16/84/453071684.db2.gz QZLYLSRHFMXROV-RYQLBKOJSA-N 2 1 325.497 1.138 20 0 EDADMP CC(C)CNC(=O)CCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000660152885 453084696 /nfs/dbraw/zinc/08/46/96/453084696.db2.gz CCEOZCXQQUVOBG-ZWKOTPCHSA-N 2 1 338.540 1.497 20 0 EDADMP CN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000644153831 453085952 /nfs/dbraw/zinc/08/59/52/453085952.db2.gz VQZWCSYQWPSKHC-HOTGVXAUSA-N 2 1 337.414 1.964 20 0 EDADMP COc1ccc(C)nc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000666722638 453097176 /nfs/dbraw/zinc/09/71/76/453097176.db2.gz WQBFWVPSINNHRB-AWEZNQCLSA-N 2 1 337.468 1.792 20 0 EDADMP COc1ccc(C)nc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000666722638 453097182 /nfs/dbraw/zinc/09/71/82/453097182.db2.gz WQBFWVPSINNHRB-AWEZNQCLSA-N 2 1 337.468 1.792 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000666770770 453136230 /nfs/dbraw/zinc/13/62/30/453136230.db2.gz VRNPMZBGNSRDJJ-WBMJQRKESA-N 2 1 330.432 1.245 20 0 EDADMP CC(C)(CNC(=O)C[N@H+]1CCCC[C@H]1C1CCC1)N1CCOCC1 ZINC000646137438 453147006 /nfs/dbraw/zinc/14/70/06/453147006.db2.gz GNBVRCRSVAKODD-KRWDZBQOSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662485732 453203112 /nfs/dbraw/zinc/20/31/12/453203112.db2.gz SPXQSAGXMRJGLL-AWEZNQCLSA-N 2 1 334.468 1.007 20 0 EDADMP [NH3+][C@H]1CCc2nc(NC(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)sc2C1 ZINC000662519740 453238366 /nfs/dbraw/zinc/23/83/66/453238366.db2.gz YNTDGQBIDHIPRL-IUCAKERBSA-N 2 1 332.433 1.011 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(C2CCC2)nn1 ZINC000648759538 453239121 /nfs/dbraw/zinc/23/91/21/453239121.db2.gz IBJCCEIDRBQJIF-MRXNPFEDSA-N 2 1 348.495 1.491 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000666920222 453242326 /nfs/dbraw/zinc/24/23/26/453242326.db2.gz PZKZVGJLSOVYRD-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000648762771 453243964 /nfs/dbraw/zinc/24/39/64/453243964.db2.gz YFZFJZLSCOXNSH-CABCVRRESA-N 2 1 349.479 1.100 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000648762771 453243967 /nfs/dbraw/zinc/24/39/67/453243967.db2.gz YFZFJZLSCOXNSH-CABCVRRESA-N 2 1 349.479 1.100 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000666924467 453251133 /nfs/dbraw/zinc/25/11/33/453251133.db2.gz GHLWPHUCNSPEHG-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000666924467 453251139 /nfs/dbraw/zinc/25/11/39/453251139.db2.gz GHLWPHUCNSPEHG-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658687000 453272689 /nfs/dbraw/zinc/27/26/89/453272689.db2.gz OJTPJJLCEDMROY-HNNXBMFYSA-N 2 1 340.512 1.166 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653114874 453303680 /nfs/dbraw/zinc/30/36/80/453303680.db2.gz ZQQQSQFVGIJJTD-FGTMMUONSA-N 2 1 336.524 1.393 20 0 EDADMP c1cc(N2CCOCC2)nc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)[nH+]1 ZINC000664679871 453314205 /nfs/dbraw/zinc/31/42/05/453314205.db2.gz XFHSRWFDQNPVBG-INIZCTEOSA-N 2 1 331.464 1.847 20 0 EDADMP c1cc(N2CCOCC2)nc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[nH+]1 ZINC000664679871 453314212 /nfs/dbraw/zinc/31/42/12/453314212.db2.gz XFHSRWFDQNPVBG-INIZCTEOSA-N 2 1 331.464 1.847 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653125017 453318547 /nfs/dbraw/zinc/31/85/47/453318547.db2.gz QCYMPGYKOFLZMW-QZTJIDSGSA-N 2 1 344.503 1.703 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000651192380 453340332 /nfs/dbraw/zinc/34/03/32/453340332.db2.gz LHNUKDOVALUJPJ-SJORKVTESA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000651192377 453341131 /nfs/dbraw/zinc/34/11/31/453341131.db2.gz LHNUKDOVALUJPJ-DLBZAZTESA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H](NC(=O)[C@H](N)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000653156863 453348435 /nfs/dbraw/zinc/34/84/35/453348435.db2.gz NWOLVLFEHRGKAO-RYQLBKOJSA-N 2 1 332.492 1.292 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[N@H+](C[C@H]3CCCO3)CC1)CC2 ZINC000651199007 453353732 /nfs/dbraw/zinc/35/37/32/453353732.db2.gz RQJRWBILPWMJRG-SJLPKXTDSA-N 2 1 346.475 1.467 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[N@@H+](C[C@H]3CCCO3)CC1)CC2 ZINC000651199007 453353742 /nfs/dbraw/zinc/35/37/42/453353742.db2.gz RQJRWBILPWMJRG-SJLPKXTDSA-N 2 1 346.475 1.467 20 0 EDADMP Cc1cccn2c(C[N@@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)cnc12 ZINC000667040368 453357119 /nfs/dbraw/zinc/35/71/19/453357119.db2.gz DOLAJNJXGMBHGS-HNNXBMFYSA-N 2 1 325.420 1.530 20 0 EDADMP Cc1cccn2c(C[N@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)cnc12 ZINC000667040368 453357130 /nfs/dbraw/zinc/35/71/30/453357130.db2.gz DOLAJNJXGMBHGS-HNNXBMFYSA-N 2 1 325.420 1.530 20 0 EDADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCOC1C[NH2+]C1 ZINC000653201930 453394475 /nfs/dbraw/zinc/39/44/75/453394475.db2.gz BLLFPTDQNRBQBZ-YESZJQIVSA-N 2 1 345.487 1.875 20 0 EDADMP C[C@@H]1C[NH+](CCN2CCC([N@H+]3CCOC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000660589012 453431289 /nfs/dbraw/zinc/43/12/89/453431289.db2.gz DBRFGENLAXCRQO-BRWVUGGUSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC[N@H+](C2CC2)C1 ZINC000667171423 453450412 /nfs/dbraw/zinc/45/04/12/453450412.db2.gz YKCSKIBMKORYLS-CYBMUJFWSA-N 2 1 330.432 1.027 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H](C)[NH3+] ZINC000662741035 453467002 /nfs/dbraw/zinc/46/70/02/453467002.db2.gz CECZXQXEYDUCML-WDSOQIARSA-N 2 1 346.519 1.538 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H](C)[NH3+] ZINC000662741035 453467007 /nfs/dbraw/zinc/46/70/07/453467007.db2.gz CECZXQXEYDUCML-WDSOQIARSA-N 2 1 346.519 1.538 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccn1 ZINC000655352667 453471662 /nfs/dbraw/zinc/47/16/62/453471662.db2.gz OAAYTBPPTPLXLK-IAGOWNOFSA-N 2 1 346.475 1.769 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662744871 453472656 /nfs/dbraw/zinc/47/26/56/453472656.db2.gz IZEAJVXQFJBLHU-CVEARBPZSA-N 2 1 348.495 1.539 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662755813 453492352 /nfs/dbraw/zinc/49/23/52/453492352.db2.gz GDVCHBKOQLAJSF-GOSISDBHSA-N 2 1 344.503 1.655 20 0 EDADMP C[C@H](NC(=O)CC[NH2+]C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000655449019 453536931 /nfs/dbraw/zinc/53/69/31/453536931.db2.gz GLPXDDBLZTWFMA-YJBOKZPZSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@H](NC(=O)CC[NH2+]C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000655449019 453536935 /nfs/dbraw/zinc/53/69/35/453536935.db2.gz GLPXDDBLZTWFMA-YJBOKZPZSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662804255 453539608 /nfs/dbraw/zinc/53/96/08/453539608.db2.gz PDZKZPPVLNPKQI-DZJNRPSUSA-N 2 1 331.460 1.377 20 0 EDADMP CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662858060 453573591 /nfs/dbraw/zinc/57/35/91/453573591.db2.gz DRMABYCWTSDLJT-IAGOWNOFSA-N 2 1 331.460 1.258 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1C[C@@H](C)O[C@H]1C ZINC000665146263 453588917 /nfs/dbraw/zinc/58/89/17/453588917.db2.gz UPQNXMFZCFPJRL-XUWVNRHRSA-N 2 1 328.501 1.371 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1C[C@@H](C)O[C@H]1C ZINC000665146263 453588920 /nfs/dbraw/zinc/58/89/20/453588920.db2.gz UPQNXMFZCFPJRL-XUWVNRHRSA-N 2 1 328.501 1.371 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659034556 453591340 /nfs/dbraw/zinc/59/13/40/453591340.db2.gz OGGLPFDYCZCKAH-WMLDXEAASA-N 2 1 332.448 1.811 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659092443 453626222 /nfs/dbraw/zinc/62/62/22/453626222.db2.gz XBUCVPWOQODFJC-AWEZNQCLSA-N 2 1 346.475 1.629 20 0 EDADMP CC[C@H]1CO[C@H](C)CN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665636659 453778042 /nfs/dbraw/zinc/77/80/42/453778042.db2.gz FMFVFJLPZZKDOA-XHSDSOJGSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@H]1CO[C@H](C)CN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665636659 453778046 /nfs/dbraw/zinc/77/80/46/453778046.db2.gz FMFVFJLPZZKDOA-XHSDSOJGSA-N 2 1 328.501 1.467 20 0 EDADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000663364648 453780976 /nfs/dbraw/zinc/78/09/76/453780976.db2.gz SURWUVSRSGWXMM-OALUTQOASA-N 2 1 348.487 1.886 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000663377174 453783701 /nfs/dbraw/zinc/78/37/01/453783701.db2.gz IJJVYCWGCJEMTK-SFHVURJKSA-N 2 1 347.503 1.895 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000663377174 453783703 /nfs/dbraw/zinc/78/37/03/453783703.db2.gz IJJVYCWGCJEMTK-SFHVURJKSA-N 2 1 347.503 1.895 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361428 453799465 /nfs/dbraw/zinc/79/94/65/453799465.db2.gz MCGMCXPOZNNRIT-WCVJEAGWSA-N 2 1 326.485 1.268 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361428 453799471 /nfs/dbraw/zinc/79/94/71/453799471.db2.gz MCGMCXPOZNNRIT-WCVJEAGWSA-N 2 1 326.485 1.268 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361428 453799474 /nfs/dbraw/zinc/79/94/74/453799474.db2.gz MCGMCXPOZNNRIT-WCVJEAGWSA-N 2 1 326.485 1.268 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361428 453799476 /nfs/dbraw/zinc/79/94/76/453799476.db2.gz MCGMCXPOZNNRIT-WCVJEAGWSA-N 2 1 326.485 1.268 20 0 EDADMP C[NH2+][C@H](C(=O)N1CCOC2(C[NH2+]C2)C1)c1cccc(Cl)c1Cl ZINC000663491831 453809430 /nfs/dbraw/zinc/80/94/30/453809430.db2.gz KNQIHRMXZWTNKG-ZDUSSCGKSA-N 2 1 344.242 1.455 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cn1 ZINC000684117057 486949937 /nfs/dbraw/zinc/94/99/37/486949937.db2.gz WDIWQOUHYKZQLF-HNNXBMFYSA-N 2 1 336.484 1.687 20 0 EDADMP COC1CC[NH+](CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000684163376 486962980 /nfs/dbraw/zinc/96/29/80/486962980.db2.gz PTUVSTRJPASLJM-UHFFFAOYSA-N 2 1 325.497 1.868 20 0 EDADMP CC[NH+]1CCN(c2cc(N3CC[N@H+](CC)[C@@H](C)C3)ncn2)C[C@@H]1C ZINC000681236709 486985235 /nfs/dbraw/zinc/98/52/35/486985235.db2.gz SVRLRMOCSUKWJX-HOTGVXAUSA-N 2 1 332.496 1.537 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000681250465 486990027 /nfs/dbraw/zinc/99/00/27/486990027.db2.gz GTNBWEVPMUALHH-CVEARBPZSA-N 2 1 325.497 1.866 20 0 EDADMP CC[N@H+]1CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[C@H]1C ZINC000677202606 487008211 /nfs/dbraw/zinc/00/82/11/487008211.db2.gz LNPPPZAZFNDANA-CYBMUJFWSA-N 2 1 347.463 1.405 20 0 EDADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3nc4c(s3)CCC4)C2)CC1 ZINC000667954401 487030582 /nfs/dbraw/zinc/03/05/82/487030582.db2.gz BKFMIURFDILJSZ-GFCCVEGCSA-N 2 1 334.489 1.530 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3nc4c(s3)CCC4)C2)CC1 ZINC000667954401 487030587 /nfs/dbraw/zinc/03/05/87/487030587.db2.gz BKFMIURFDILJSZ-GFCCVEGCSA-N 2 1 334.489 1.530 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1)c1ccccc1 ZINC000673514130 487034761 /nfs/dbraw/zinc/03/47/61/487034761.db2.gz OUYKXVBKBGTZFJ-SQNIBIBYSA-N 2 1 331.460 1.347 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1)c1ccccc1 ZINC000673514130 487034763 /nfs/dbraw/zinc/03/47/63/487034763.db2.gz OUYKXVBKBGTZFJ-SQNIBIBYSA-N 2 1 331.460 1.347 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)c1ccccc1 ZINC000673514130 487034765 /nfs/dbraw/zinc/03/47/65/487034765.db2.gz OUYKXVBKBGTZFJ-SQNIBIBYSA-N 2 1 331.460 1.347 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1)c1ccccc1 ZINC000673514130 487034769 /nfs/dbraw/zinc/03/47/69/487034769.db2.gz OUYKXVBKBGTZFJ-SQNIBIBYSA-N 2 1 331.460 1.347 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000673531106 487050340 /nfs/dbraw/zinc/05/03/40/487050340.db2.gz NEJXKSFXALAABQ-MSOLQXFVSA-N 2 1 331.460 1.224 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000673531106 487050343 /nfs/dbraw/zinc/05/03/43/487050343.db2.gz NEJXKSFXALAABQ-MSOLQXFVSA-N 2 1 331.460 1.224 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673669314 487084665 /nfs/dbraw/zinc/08/46/65/487084665.db2.gz HBCAYFSMKQATRS-SOLBZPMBSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673669314 487084667 /nfs/dbraw/zinc/08/46/67/487084667.db2.gz HBCAYFSMKQATRS-SOLBZPMBSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673669314 487084671 /nfs/dbraw/zinc/08/46/71/487084671.db2.gz HBCAYFSMKQATRS-SOLBZPMBSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673669314 487084673 /nfs/dbraw/zinc/08/46/73/487084673.db2.gz HBCAYFSMKQATRS-SOLBZPMBSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673669314 487084675 /nfs/dbraw/zinc/08/46/75/487084675.db2.gz HBCAYFSMKQATRS-SOLBZPMBSA-N 2 1 336.524 1.486 20 0 EDADMP CN(CCCC[NH+](C)C)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673841373 487129648 /nfs/dbraw/zinc/12/96/48/487129648.db2.gz UVOVBJQPCCEGMR-IBGZPJMESA-N 2 1 333.476 1.424 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCSC1 ZINC000677859916 487184499 /nfs/dbraw/zinc/18/44/99/487184499.db2.gz IXVAWCNQZACVCX-JKSUJKDBSA-N 2 1 341.521 1.137 20 0 EDADMP C[NH+](CC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)[C@H]1CCSC1 ZINC000677859916 487184502 /nfs/dbraw/zinc/18/45/02/487184502.db2.gz IXVAWCNQZACVCX-JKSUJKDBSA-N 2 1 341.521 1.137 20 0 EDADMP C[NH+](CC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)[C@H]1CCSC1 ZINC000677859916 487184505 /nfs/dbraw/zinc/18/45/05/487184505.db2.gz IXVAWCNQZACVCX-JKSUJKDBSA-N 2 1 341.521 1.137 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCSC1 ZINC000673979701 487175798 /nfs/dbraw/zinc/17/57/98/487175798.db2.gz IXXFCEMCDMCVJT-GOEBONIOSA-N 2 1 326.510 1.207 20 0 EDADMP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000674062368 487194100 /nfs/dbraw/zinc/19/41/00/487194100.db2.gz ODDHKRFYNDHJRV-MJGOQNOKSA-N 2 1 349.519 1.964 20 0 EDADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000674062368 487194103 /nfs/dbraw/zinc/19/41/03/487194103.db2.gz ODDHKRFYNDHJRV-MJGOQNOKSA-N 2 1 349.519 1.964 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000677984286 487219814 /nfs/dbraw/zinc/21/98/14/487219814.db2.gz RQDPTTNXCCORKE-GOSISDBHSA-N 2 1 337.508 1.676 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000677984678 487219916 /nfs/dbraw/zinc/21/99/16/487219916.db2.gz MSRQLSYIHPEAJK-HOTGVXAUSA-N 2 1 339.528 1.137 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000682295993 487341182 /nfs/dbraw/zinc/34/11/82/487341182.db2.gz TUXLFFBBIOJKFG-UKRRQHHQSA-N 2 1 341.415 1.216 20 0 EDADMP C[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000678955915 487381636 /nfs/dbraw/zinc/38/16/36/487381636.db2.gz FVXNWUGNMHANRD-APWZRJJASA-N 2 1 335.467 1.925 20 0 EDADMP CC[NH+]1CCCN(c2nccnc2N2CCC[N@H+](CC)CC2)CC1 ZINC000679391186 487421232 /nfs/dbraw/zinc/42/12/32/487421232.db2.gz OECQIZOUTBWWEG-UHFFFAOYSA-N 2 1 332.496 1.541 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000682876287 487425513 /nfs/dbraw/zinc/42/55/13/487425513.db2.gz GBSGGTGSNJMHMU-HUUCEWRRSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000682876287 487425514 /nfs/dbraw/zinc/42/55/14/487425514.db2.gz GBSGGTGSNJMHMU-HUUCEWRRSA-N 2 1 326.485 1.127 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000668962981 485499135 /nfs/dbraw/zinc/49/91/35/485499135.db2.gz GQDXMROACYKBOA-CAOSSQGBSA-N 2 1 340.512 1.643 20 0 EDADMP C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000119133215 485499354 /nfs/dbraw/zinc/49/93/54/485499354.db2.gz AZBMLVCTGJQOJZ-PBHICJAKSA-N 2 1 335.448 1.076 20 0 EDADMP C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000119133215 485499361 /nfs/dbraw/zinc/49/93/61/485499361.db2.gz AZBMLVCTGJQOJZ-PBHICJAKSA-N 2 1 335.448 1.076 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000669555842 485557943 /nfs/dbraw/zinc/55/79/43/485557943.db2.gz JQFHCTBCDYGVBR-INIZCTEOSA-N 2 1 331.464 1.884 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669561207 485568909 /nfs/dbraw/zinc/56/89/09/485568909.db2.gz YXUXEQIPVYTNGK-NXHRZFHOSA-N 2 1 330.476 1.948 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@H]1CCCC[NH2+]1 ZINC000669573811 485606673 /nfs/dbraw/zinc/60/66/73/485606673.db2.gz AMPMJAPRLFKBSD-ZWKOTPCHSA-N 2 1 330.476 1.950 20 0 EDADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)C(C)(C)C[NH+](C)C ZINC000669145284 485733699 /nfs/dbraw/zinc/73/36/99/485733699.db2.gz JPLBPSFSUOFWFJ-KBPBESRZSA-N 2 1 340.512 1.068 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000669398501 486058287 /nfs/dbraw/zinc/05/82/87/486058287.db2.gz WVKQDGIIPYTUPA-LLVKDONJSA-N 2 1 326.391 1.576 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]C1 ZINC000669420240 486139286 /nfs/dbraw/zinc/13/92/86/486139286.db2.gz FXKMBMGPNPJEMH-ZWKOTPCHSA-N 2 1 330.476 1.950 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000570584371 486205207 /nfs/dbraw/zinc/20/52/07/486205207.db2.gz NAVSGWSMGWATEM-LNLFQRSKSA-N 2 1 341.540 1.510 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000570584371 486205212 /nfs/dbraw/zinc/20/52/12/486205212.db2.gz NAVSGWSMGWATEM-LNLFQRSKSA-N 3 1 341.540 1.510 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000570584371 486205215 /nfs/dbraw/zinc/20/52/15/486205215.db2.gz NAVSGWSMGWATEM-LNLFQRSKSA-N 3 1 341.540 1.510 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000670443676 486523283 /nfs/dbraw/zinc/52/32/83/486523283.db2.gz GZUIRHMJHZERRP-MHORFTMASA-N 2 1 337.508 1.961 20 0 EDADMP COC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCOCC1 ZINC000682134551 486558578 /nfs/dbraw/zinc/55/85/78/486558578.db2.gz YLSSTYCBQKALJG-ZWKOTPCHSA-N 2 1 326.481 1.661 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CS(=O)(=O)NC)cc2)[C@H](C)C1 ZINC000131889551 491213966 /nfs/dbraw/zinc/21/39/66/491213966.db2.gz FTOVBYYZJFYIKC-RHSMWYFYSA-N 2 1 339.505 1.556 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494669 490998413 /nfs/dbraw/zinc/99/84/13/490998413.db2.gz FKLQGCMHQMHWDK-BHYGNILZSA-N 2 1 332.448 1.019 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494669 490998414 /nfs/dbraw/zinc/99/84/14/490998414.db2.gz FKLQGCMHQMHWDK-BHYGNILZSA-N 2 1 332.448 1.019 20 0 EDADMP CN(C(=O)CN1CC[NH+](C)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074447023 491014483 /nfs/dbraw/zinc/01/44/83/491014483.db2.gz CJXVWYDJUNXHOJ-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP CN(C(=O)CN1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074447023 491014484 /nfs/dbraw/zinc/01/44/84/491014484.db2.gz CJXVWYDJUNXHOJ-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000173738269 527825327 /nfs/dbraw/zinc/82/53/27/527825327.db2.gz VYAGOBXARGLCHT-CQSZACIVSA-N 2 1 344.459 1.371 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000173738269 527825330 /nfs/dbraw/zinc/82/53/30/527825330.db2.gz VYAGOBXARGLCHT-CQSZACIVSA-N 2 1 344.459 1.371 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000173738269 527825334 /nfs/dbraw/zinc/82/53/34/527825334.db2.gz VYAGOBXARGLCHT-CQSZACIVSA-N 2 1 344.459 1.371 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000173738269 527825339 /nfs/dbraw/zinc/82/53/39/527825339.db2.gz VYAGOBXARGLCHT-CQSZACIVSA-N 2 1 344.459 1.371 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000186968959 528369412 /nfs/dbraw/zinc/36/94/12/528369412.db2.gz UTGDWXHNDQVPOI-OAHLLOKOSA-N 2 1 336.480 1.700 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000186968959 528369416 /nfs/dbraw/zinc/36/94/16/528369416.db2.gz UTGDWXHNDQVPOI-OAHLLOKOSA-N 2 1 336.480 1.700 20 0 EDADMP CC[N@H+](CCO)CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000183993232 528544377 /nfs/dbraw/zinc/54/43/77/528544377.db2.gz NQQJVSWNBGRQMV-KRWDZBQOSA-N 2 1 337.439 1.221 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000183993232 528544384 /nfs/dbraw/zinc/54/43/84/528544384.db2.gz NQQJVSWNBGRQMV-KRWDZBQOSA-N 2 1 337.439 1.221 20 0 EDADMP CC[NH+](CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000183993232 528544393 /nfs/dbraw/zinc/54/43/93/528544393.db2.gz NQQJVSWNBGRQMV-KRWDZBQOSA-N 2 1 337.439 1.221 20 0 EDADMP CC[NH+](CCO)CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000183993232 528544399 /nfs/dbraw/zinc/54/43/99/528544399.db2.gz NQQJVSWNBGRQMV-KRWDZBQOSA-N 2 1 337.439 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)CC[N@@H+]1CCOC ZINC000168057148 529360394 /nfs/dbraw/zinc/36/03/94/529360394.db2.gz BYJNVEAVXYGNEE-QGZVFWFLSA-N 2 1 331.460 1.052 20 0 EDADMP CC[C@@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)CC[N@H+]1CCOC ZINC000168057148 529360396 /nfs/dbraw/zinc/36/03/96/529360396.db2.gz BYJNVEAVXYGNEE-QGZVFWFLSA-N 2 1 331.460 1.052 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2cccnc2)C1 ZINC000248402620 535110128 /nfs/dbraw/zinc/11/01/28/535110128.db2.gz NKURJRHOPTVFSD-WBVHZDCISA-N 2 1 334.464 1.205 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000345641281 535207713 /nfs/dbraw/zinc/20/77/13/535207713.db2.gz OMDPWIHWMQCQMV-IAGOWNOFSA-N 2 1 337.439 1.654 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CCO[C@H](C)C3)CC2)C1 ZINC000352691095 535215323 /nfs/dbraw/zinc/21/53/23/535215323.db2.gz IRHLXZMAOFIXGP-QRVBRYPASA-N 2 1 339.524 1.528 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCOC ZINC000347218439 535431719 /nfs/dbraw/zinc/43/17/19/535431719.db2.gz NYQIWEWPRZPJRT-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCOC ZINC000347218439 535431724 /nfs/dbraw/zinc/43/17/24/535431724.db2.gz NYQIWEWPRZPJRT-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCOC ZINC000347218439 535431729 /nfs/dbraw/zinc/43/17/29/535431729.db2.gz NYQIWEWPRZPJRT-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247037149 535768429 /nfs/dbraw/zinc/76/84/29/535768429.db2.gz NYRJHICQCWHVIQ-HKUYNNGSSA-N 2 1 344.503 1.655 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247037149 535768431 /nfs/dbraw/zinc/76/84/31/535768431.db2.gz NYRJHICQCWHVIQ-HKUYNNGSSA-N 2 1 344.503 1.655 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cn1 ZINC000346285823 536054641 /nfs/dbraw/zinc/05/46/41/536054641.db2.gz NMRBVBUGWULMLW-IAGOWNOFSA-N 2 1 333.480 1.455 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cn1 ZINC000346285823 536054644 /nfs/dbraw/zinc/05/46/44/536054644.db2.gz NMRBVBUGWULMLW-IAGOWNOFSA-N 2 1 333.480 1.455 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261626187 536111500 /nfs/dbraw/zinc/11/15/00/536111500.db2.gz CPIXIIRRBBJDET-USXIJHARSA-N 2 1 337.489 1.496 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1cnn(C)c1 ZINC000262333000 536383021 /nfs/dbraw/zinc/38/30/21/536383021.db2.gz GZNVKZRYLGONJJ-ZBFHGGJFSA-N 2 1 347.488 1.695 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1cnn(C)c1 ZINC000262302738 536386247 /nfs/dbraw/zinc/38/62/47/536386247.db2.gz BTBZDFIZVBXOEQ-QGTPRVQTSA-N 2 1 341.459 1.632 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1cnn(C)c1 ZINC000262302738 536386248 /nfs/dbraw/zinc/38/62/48/536386248.db2.gz BTBZDFIZVBXOEQ-QGTPRVQTSA-N 2 1 341.459 1.632 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237109631 536456644 /nfs/dbraw/zinc/45/66/44/536456644.db2.gz IFKCCISHBJUPHU-YJBOKZPZSA-N 2 1 348.466 1.547 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107835355 536784020 /nfs/dbraw/zinc/78/40/20/536784020.db2.gz QEHXAZRNPNENQN-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000097257368 536786386 /nfs/dbraw/zinc/78/63/86/536786386.db2.gz PNURYVLRGDCGPS-INIZCTEOSA-N 2 1 342.528 1.764 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000097257368 536786389 /nfs/dbraw/zinc/78/63/89/536786389.db2.gz PNURYVLRGDCGPS-INIZCTEOSA-N 2 1 342.528 1.764 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000097257368 536786392 /nfs/dbraw/zinc/78/63/92/536786392.db2.gz PNURYVLRGDCGPS-INIZCTEOSA-N 2 1 342.528 1.764 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727075029 578515404 /nfs/dbraw/zinc/51/54/04/578515404.db2.gz WSCMJADJJVKOEH-UHFFFAOYSA-N 2 1 343.585 1.064 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000735282263 578873818 /nfs/dbraw/zinc/87/38/18/578873818.db2.gz INKTUHAULCVKLE-NXHRZFHOSA-N 2 1 331.460 1.204 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000735282263 578873819 /nfs/dbraw/zinc/87/38/19/578873819.db2.gz INKTUHAULCVKLE-NXHRZFHOSA-N 2 1 331.460 1.204 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1C[C@H](O)c1ccccc1 ZINC000735282263 578873820 /nfs/dbraw/zinc/87/38/20/578873820.db2.gz INKTUHAULCVKLE-NXHRZFHOSA-N 2 1 331.460 1.204 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C[C@H](O)c1ccccc1 ZINC000735282263 578873821 /nfs/dbraw/zinc/87/38/21/578873821.db2.gz INKTUHAULCVKLE-NXHRZFHOSA-N 2 1 331.460 1.204 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)C(C)(C)CO)cc2)CC1 ZINC000736313018 578977115 /nfs/dbraw/zinc/97/71/15/578977115.db2.gz WVHHMXDLZXJYIM-UHFFFAOYSA-N 2 1 348.491 1.470 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COC1(C)CCC1 ZINC000746149440 579574093 /nfs/dbraw/zinc/57/40/93/579574093.db2.gz FHGGCLLFRMBLQU-MRXNPFEDSA-N 2 1 325.497 1.820 20 0 EDADMP COc1cccc([C@@H](CNC(=O)CC[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000750852747 579783919 /nfs/dbraw/zinc/78/39/19/579783919.db2.gz NQBYJBQLDXFWFM-QGZVFWFLSA-N 2 1 335.448 1.136 20 0 EDADMP CCOCCNC(=S)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000751012644 579791331 /nfs/dbraw/zinc/79/13/31/579791331.db2.gz YAIVIDSVYWYBLR-HNNXBMFYSA-N 2 1 330.542 1.245 20 0 EDADMP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[S@@]1=O ZINC000763491271 580100930 /nfs/dbraw/zinc/10/09/30/580100930.db2.gz MWDDYDLBJXNKJX-HJPURHCSSA-N 2 1 335.517 1.781 20 0 EDADMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[S@@]1=O ZINC000763491271 580100931 /nfs/dbraw/zinc/10/09/31/580100931.db2.gz MWDDYDLBJXNKJX-HJPURHCSSA-N 2 1 335.517 1.781 20 0 EDADMP O[C@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1cccc(F)c1 ZINC000779605798 580491117 /nfs/dbraw/zinc/49/11/17/580491117.db2.gz GXENZOATATZWIN-QGZVFWFLSA-N 2 1 338.423 1.018 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2cnn(-c3ccccc3)n2)C1 ZINC000779648138 580492603 /nfs/dbraw/zinc/49/26/03/580492603.db2.gz CZMHRDWNUVNKBI-INIZCTEOSA-N 2 1 344.419 1.375 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cnn(-c3ccccc3)n2)C1 ZINC000779648138 580492604 /nfs/dbraw/zinc/49/26/04/580492604.db2.gz CZMHRDWNUVNKBI-INIZCTEOSA-N 2 1 344.419 1.375 20 0 EDADMP CC[NH+](CC)CCOC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000785647655 580648717 /nfs/dbraw/zinc/64/87/17/580648717.db2.gz WDVALFIIJMKUKC-HOTGVXAUSA-N 2 1 339.480 1.204 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)COC[C@H]3CCCO3)C2)CC1 ZINC000799178068 581021457 /nfs/dbraw/zinc/02/14/57/581021457.db2.gz FUDVBERJGRDSAI-DLBZAZTESA-N 2 1 326.481 1.351 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCCO1 ZINC000891856907 590657040 /nfs/dbraw/zinc/65/70/40/590657040.db2.gz UXDYJZVHVCOGAD-JYJNAYRXSA-N 2 1 326.485 1.304 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)CCC(F)(F)F ZINC000891855745 590657450 /nfs/dbraw/zinc/65/74/50/590657450.db2.gz BBEXECTXTMJJOS-GXTWGEPZSA-N 2 1 336.402 1.512 20 0 EDADMP CN(C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000893190112 590702272 /nfs/dbraw/zinc/70/22/72/590702272.db2.gz BDTMQIFCFGIHQX-GOSISDBHSA-N 2 1 344.503 1.821 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000892000174 590736944 /nfs/dbraw/zinc/73/69/44/590736944.db2.gz PTEXCNDAZBOCPL-SJLPKXTDSA-N 2 1 330.476 1.868 20 0 EDADMP C[C@H](CNC(=O)NCc1cn(C)cn1)[N@H+]1CCc2ccccc2C1 ZINC000892020353 590753045 /nfs/dbraw/zinc/75/30/45/590753045.db2.gz VDOUMPKEXLXZDY-CQSZACIVSA-N 2 1 327.432 1.666 20 0 EDADMP C[C@H](CNC(=O)NCc1cn(C)cn1)N1CCc2ccccc2C1 ZINC000892020353 590753047 /nfs/dbraw/zinc/75/30/47/590753047.db2.gz VDOUMPKEXLXZDY-CQSZACIVSA-N 2 1 327.432 1.666 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000892062601 590778171 /nfs/dbraw/zinc/77/81/71/590778171.db2.gz CHSUQZCYOVWTHM-OCCSQVGLSA-N 2 1 332.439 1.910 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC(F)(F)CN ZINC000892063182 590778880 /nfs/dbraw/zinc/77/88/80/590778880.db2.gz YANQDBXNSIRIIO-HIFRSBDPSA-N 2 1 340.418 1.648 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000892063182 590778882 /nfs/dbraw/zinc/77/88/82/590778882.db2.gz YANQDBXNSIRIIO-HIFRSBDPSA-N 2 1 340.418 1.648 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000892063182 590778885 /nfs/dbraw/zinc/77/88/85/590778885.db2.gz YANQDBXNSIRIIO-HIFRSBDPSA-N 2 1 340.418 1.648 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)[C@H]1OC ZINC000893355613 590800607 /nfs/dbraw/zinc/80/06/07/590800607.db2.gz GNIDVJCZLMKSJI-LZLYRXPVSA-N 2 1 334.464 1.844 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000890896327 590838002 /nfs/dbraw/zinc/83/80/02/590838002.db2.gz ASFYWHOQSCJNIV-KSZLIROESA-N 2 1 349.523 1.548 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000892234943 590879610 /nfs/dbraw/zinc/87/96/10/590879610.db2.gz AJLMWCZNRDNNTE-MELADBBJSA-N 2 1 330.423 1.547 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000891008851 590910898 /nfs/dbraw/zinc/91/08/98/590910898.db2.gz ZTPFLQFWKPTHEF-UHFFFAOYSA-N 2 1 346.475 1.548 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000891008851 590910900 /nfs/dbraw/zinc/91/09/00/590910900.db2.gz ZTPFLQFWKPTHEF-UHFFFAOYSA-N 2 1 346.475 1.548 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)[C@H]1OC ZINC000892397804 591010510 /nfs/dbraw/zinc/01/05/10/591010510.db2.gz SXRUXRFKJGWCGJ-MTQWCTHYSA-N 2 1 347.503 1.757 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)NCC[C@@H]([NH3+])Cc3ccccc3)C2)C1 ZINC000892407698 591015274 /nfs/dbraw/zinc/01/52/74/591015274.db2.gz CRAHPMMEGCRDEY-MJGOQNOKSA-N 2 1 330.476 1.684 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC[N@H+]1CCc3ccccc3C1)C2 ZINC000891348876 591054196 /nfs/dbraw/zinc/05/41/96/591054196.db2.gz QUZPAOVDUREHCD-PKOBYXMFSA-N 2 1 328.460 1.296 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[NH2+]CCC12CCC2 ZINC000891350091 591054399 /nfs/dbraw/zinc/05/43/99/591054399.db2.gz ZKKWOFDRACWILC-UHFFFAOYSA-N 2 1 342.487 1.972 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000892536030 591063700 /nfs/dbraw/zinc/06/37/00/591063700.db2.gz LXLCBSMAQRNULB-KRWDZBQOSA-N 2 1 348.491 1.575 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000892536030 591063705 /nfs/dbraw/zinc/06/37/05/591063705.db2.gz LXLCBSMAQRNULB-KRWDZBQOSA-N 2 1 348.491 1.575 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)COC(C)=O)CC1 ZINC000892597795 591087820 /nfs/dbraw/zinc/08/78/20/591087820.db2.gz VIKATNMQFHDMJK-INIZCTEOSA-N 2 1 333.476 1.865 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000891485497 591089253 /nfs/dbraw/zinc/08/92/53/591089253.db2.gz OZBPQOMLGDDKOV-HNNXBMFYSA-N 2 1 326.485 1.175 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)oc1C ZINC000891542019 591115170 /nfs/dbraw/zinc/11/51/70/591115170.db2.gz AALPXHVWAFGPEP-HOTGVXAUSA-N 2 1 347.463 1.259 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000893867906 591120806 /nfs/dbraw/zinc/12/08/06/591120806.db2.gz UHYIIYAKUPWWJH-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CCN(C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1)[C@H]1CC[NH2+]C1 ZINC000891652524 591169934 /nfs/dbraw/zinc/16/99/34/591169934.db2.gz ZTNYHYUOZXBBPE-INIZCTEOSA-N 2 1 346.479 1.456 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776058 591171464 /nfs/dbraw/zinc/17/14/64/591171464.db2.gz LXWCNLHDVPIKFU-HZPDHXFCSA-N 2 1 338.496 1.128 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776059 591171493 /nfs/dbraw/zinc/17/14/93/591171493.db2.gz LXWCNLHDVPIKFU-JKSUJKDBSA-N 2 1 338.496 1.128 20 0 EDADMP CN(C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000892776450 591171800 /nfs/dbraw/zinc/17/18/00/591171800.db2.gz OBFCOTPPIRLKII-HOTGVXAUSA-N 2 1 336.480 1.023 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892781686 591173848 /nfs/dbraw/zinc/17/38/48/591173848.db2.gz ZSQNXXVVOKNEDU-JKSUJKDBSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@@H](O)c1cccc(NCc2ccc(N3CCN(C)CC3)nc2)n1 ZINC000891667034 591177588 /nfs/dbraw/zinc/17/75/88/591177588.db2.gz FZXWLNPLHJWSTJ-CQSZACIVSA-N 2 1 327.432 1.894 20 0 EDADMP COC1CCC(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000892794827 591182522 /nfs/dbraw/zinc/18/25/22/591182522.db2.gz WZUNDNITARNSTF-JCYILVPMSA-N 2 1 325.497 1.724 20 0 EDADMP COC1CCC(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000892794827 591182524 /nfs/dbraw/zinc/18/25/24/591182524.db2.gz WZUNDNITARNSTF-JCYILVPMSA-N 2 1 325.497 1.724 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000891686052 591185646 /nfs/dbraw/zinc/18/56/46/591185646.db2.gz YSYWCSHMMLFJBC-JKSUJKDBSA-N 2 1 338.496 1.543 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@@H]1c1ccccc1 ZINC000891722496 591198752 /nfs/dbraw/zinc/19/87/52/591198752.db2.gz CWFPPZVODUCLKU-LSTDLKDCSA-N 2 1 328.460 1.683 20 0 EDADMP COc1ccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)nc1 ZINC000892865111 591207725 /nfs/dbraw/zinc/20/77/25/591207725.db2.gz FLTJVRQCTGUIAU-UHFFFAOYSA-N 2 1 342.443 1.671 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000895666855 591247713 /nfs/dbraw/zinc/24/77/13/591247713.db2.gz STOQJBSRKXHVJX-HOTGVXAUSA-N 2 1 327.517 1.042 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1CCC[C@@H]1C ZINC000895666855 591247715 /nfs/dbraw/zinc/24/77/15/591247715.db2.gz STOQJBSRKXHVJX-HOTGVXAUSA-N 3 1 327.517 1.042 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1CCC[C@@H]1C ZINC000895666855 591247724 /nfs/dbraw/zinc/24/77/24/591247724.db2.gz STOQJBSRKXHVJX-HOTGVXAUSA-N 3 1 327.517 1.042 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000895666855 591247726 /nfs/dbraw/zinc/24/77/26/591247726.db2.gz STOQJBSRKXHVJX-HOTGVXAUSA-N 3 1 327.517 1.042 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000895666855 591247729 /nfs/dbraw/zinc/24/77/29/591247729.db2.gz STOQJBSRKXHVJX-HOTGVXAUSA-N 3 1 327.517 1.042 20 0 EDADMP C[NH+]1CC[C@H]1CNc1nc2ncccc2nc1NC[C@H]1CC[N@@H+]1C ZINC000895771099 591269436 /nfs/dbraw/zinc/26/94/36/591269436.db2.gz GNOZRRNGJOTGMQ-OLZOCXBDSA-N 2 1 327.436 1.257 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1nc2cccnc2nc1NC[C@@H]1CC[N@@H+]1C ZINC000895771099 591269441 /nfs/dbraw/zinc/26/94/41/591269441.db2.gz GNOZRRNGJOTGMQ-OLZOCXBDSA-N 2 1 327.436 1.257 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1nc2cccnc2nc1NC[C@@H]1CC[N@H+]1C ZINC000895771099 591269442 /nfs/dbraw/zinc/26/94/42/591269442.db2.gz GNOZRRNGJOTGMQ-OLZOCXBDSA-N 2 1 327.436 1.257 20 0 EDADMP C[NH+](C)CC[C@H](Nc1nc(N2CCOCC2)cc[nH+]1)c1cccnc1 ZINC000895893224 591298770 /nfs/dbraw/zinc/29/87/70/591298770.db2.gz URLKLNHPLUJRDA-INIZCTEOSA-N 2 1 342.447 1.813 20 0 EDADMP CN(Cc1c2c(nn1C)CCC2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894460095 591318575 /nfs/dbraw/zinc/31/85/75/591318575.db2.gz SIVPTYRIWXVIQF-INIZCTEOSA-N 2 1 331.508 1.509 20 0 EDADMP CN(CCC[N@@H+](C)[C@@H]1CCC2(C[C@@H]1F)OCCO2)CC[NH+](C)C ZINC000894523779 591332878 /nfs/dbraw/zinc/33/28/78/591332878.db2.gz NBXHHLIOSQNMRC-JKSUJKDBSA-N 2 1 331.476 1.435 20 0 EDADMP COC(=O)[C@@H]1[C@H](CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1(F)F ZINC000894771035 591411589 /nfs/dbraw/zinc/41/15/89/591411589.db2.gz VXOMYHJPAXCJLK-ILXRZTDVSA-N 2 1 345.434 1.141 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1(F)F ZINC000894771035 591411591 /nfs/dbraw/zinc/41/15/91/591411591.db2.gz VXOMYHJPAXCJLK-ILXRZTDVSA-N 2 1 345.434 1.141 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1(F)F ZINC000894771035 591411596 /nfs/dbraw/zinc/41/15/96/591411596.db2.gz VXOMYHJPAXCJLK-ILXRZTDVSA-N 2 1 345.434 1.141 20 0 EDADMP C[C@@H]1CO[C@@H](C)CN1CCNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000898588508 591418610 /nfs/dbraw/zinc/41/86/10/591418610.db2.gz KNUGJCGAOKHGJT-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NCC[N@H+]3CCC[C@H]3C)CC2)c1 ZINC000897488269 591493305 /nfs/dbraw/zinc/49/33/05/591493305.db2.gz ZGCWKFZGXNFESW-MRXNPFEDSA-N 2 1 331.464 1.706 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NCC[N@@H+]3CCC[C@H]3C)CC2)c1 ZINC000897488269 591493307 /nfs/dbraw/zinc/49/33/07/591493307.db2.gz ZGCWKFZGXNFESW-MRXNPFEDSA-N 2 1 331.464 1.706 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000897497863 591500852 /nfs/dbraw/zinc/50/08/52/591500852.db2.gz DCYMLZXUWYVMGS-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1CCC[NH+]1CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000897497863 591500856 /nfs/dbraw/zinc/50/08/56/591500856.db2.gz DCYMLZXUWYVMGS-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1CCC[NH+]1CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000897497863 591500859 /nfs/dbraw/zinc/50/08/59/591500859.db2.gz DCYMLZXUWYVMGS-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000897514839 591515028 /nfs/dbraw/zinc/51/50/28/591515028.db2.gz AITRKUDRWPNABK-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP CN(C(=O)c1c[nH]cc2ncnc1-2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000896989325 591706308 /nfs/dbraw/zinc/70/63/08/591706308.db2.gz RJNPOUVDHNMTLL-CQSZACIVSA-N 2 1 342.447 1.198 20 0 EDADMP Cn1cc([C@]2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCCO2)cn1 ZINC000898051757 591755910 /nfs/dbraw/zinc/75/59/10/591755910.db2.gz DYXSEFKVARRCKK-ZWKOTPCHSA-N 2 1 334.464 1.269 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+]2CCC23CC[NH+](C)CC3)cc1 ZINC000899911676 591979757 /nfs/dbraw/zinc/97/97/57/591979757.db2.gz WHUKJJMQDSGYLJ-QGZVFWFLSA-N 2 1 334.460 1.743 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C34CC[NH+](CC3)C4)cc2)CC1 ZINC000900347846 591997071 /nfs/dbraw/zinc/99/70/71/591997071.db2.gz DZDCUGMRUIVZEP-UHFFFAOYSA-N 2 1 342.443 1.109 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000900405074 592009478 /nfs/dbraw/zinc/00/94/78/592009478.db2.gz QRHLGWRQZSYAJP-NSHGMRRFSA-N 2 1 345.487 1.612 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000900405074 592009481 /nfs/dbraw/zinc/00/94/81/592009481.db2.gz QRHLGWRQZSYAJP-NSHGMRRFSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000900405074 592009484 /nfs/dbraw/zinc/00/94/84/592009484.db2.gz QRHLGWRQZSYAJP-NSHGMRRFSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000900405074 592009488 /nfs/dbraw/zinc/00/94/88/592009488.db2.gz QRHLGWRQZSYAJP-NSHGMRRFSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2CCCC[C@@H]2C[NH+](C)C)CC1 ZINC000900564362 592053648 /nfs/dbraw/zinc/05/36/48/592053648.db2.gz UMCXOCPVZANMJQ-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902788939 592064336 /nfs/dbraw/zinc/06/43/36/592064336.db2.gz BBNHKGBFCIJIND-MSOLQXFVSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+](C)CCN(C(=O)C[C@@]1(O)CCC[N@@H+](C)C1)C1CCCCC1 ZINC000900660899 592084185 /nfs/dbraw/zinc/08/41/85/592084185.db2.gz XOOWGXGJMDHLJS-SFHVURJKSA-N 2 1 325.497 1.556 20 0 EDADMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903136643 592125833 /nfs/dbraw/zinc/12/58/33/592125833.db2.gz FIYGFNLMVVQMLN-ZDUSSCGKSA-N 2 1 327.469 1.479 20 0 EDADMP C[C@@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCN1C ZINC000900811679 592133501 /nfs/dbraw/zinc/13/35/01/592133501.db2.gz MYEOLTBHGSVPLA-VQIMIIECSA-N 2 1 344.503 1.185 20 0 EDADMP C[C@@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@H]1C[N@H+](C)CCN1C ZINC000900811679 592133502 /nfs/dbraw/zinc/13/35/02/592133502.db2.gz MYEOLTBHGSVPLA-VQIMIIECSA-N 2 1 344.503 1.185 20 0 EDADMP C[C@@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@H]1C[N@@H+](C)CCN1C ZINC000900811679 592133503 /nfs/dbraw/zinc/13/35/03/592133503.db2.gz MYEOLTBHGSVPLA-VQIMIIECSA-N 2 1 344.503 1.185 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)[C@@H](C)C1 ZINC000903191173 592136463 /nfs/dbraw/zinc/13/64/63/592136463.db2.gz PAYLQMOYOJQXJW-GJZGRUSLSA-N 2 1 345.553 1.947 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)Nc1cc(C)cc(C)c1)C2 ZINC000903491029 592184642 /nfs/dbraw/zinc/18/46/42/592184642.db2.gz RTCLXBMBKKFHOW-KHYOSLBOSA-N 2 1 345.443 1.454 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1csc([C@H](C)OC)n1)C2 ZINC000903493247 592185834 /nfs/dbraw/zinc/18/58/34/592185834.db2.gz QOGWPRRANOODQG-OVZMXSCWSA-N 2 1 339.461 1.563 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1csc([C@H](C)OC)n1)C2 ZINC000903493247 592185836 /nfs/dbraw/zinc/18/58/36/592185836.db2.gz QOGWPRRANOODQG-OVZMXSCWSA-N 2 1 339.461 1.563 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903495939 592187669 /nfs/dbraw/zinc/18/76/69/592187669.db2.gz CMMOTMPRYORWHK-IXDOHACOSA-N 2 1 333.476 1.795 20 0 EDADMP CC(C)CCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510918 592190452 /nfs/dbraw/zinc/19/04/52/592190452.db2.gz UNNJJAYGGRYUIV-NXHRZFHOSA-N 2 1 336.524 1.438 20 0 EDADMP COC(=O)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)s1 ZINC000903507132 592198744 /nfs/dbraw/zinc/19/87/44/592198744.db2.gz OIVZHEMGSNWXBU-GASCZTMLSA-N 2 1 349.500 1.935 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906669678 592251606 /nfs/dbraw/zinc/25/16/06/592251606.db2.gz JCTOROPNJDVVIR-CYBMUJFWSA-N 2 1 334.464 1.664 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3C[NH3+])CC[C@H]21 ZINC000906658498 592268075 /nfs/dbraw/zinc/26/80/75/592268075.db2.gz INPAGLCYBJBJTP-GDBMZVCRSA-N 2 1 330.432 1.027 20 0 EDADMP Cn1c2ccc(CNC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)cc2nc1C1CC1 ZINC000908057430 592278089 /nfs/dbraw/zinc/27/80/89/592278089.db2.gz ZPSLHNYTAHYUFC-KUHUBIRLSA-N 2 1 342.443 1.522 20 0 EDADMP CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc2c(c1)nc(C1CC1)n2C ZINC000908057430 592278090 /nfs/dbraw/zinc/27/80/90/592278090.db2.gz ZPSLHNYTAHYUFC-KUHUBIRLSA-N 2 1 342.443 1.522 20 0 EDADMP CC[N@@H+](CC(=O)Nc1cccc(OC)c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718624 592280819 /nfs/dbraw/zinc/28/08/19/592280819.db2.gz PRXSTEDHIIHXNM-IEBWSBKVSA-N 2 1 347.459 1.724 20 0 EDADMP CC[N@H+](CC(=O)Nc1cccc(OC)c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718624 592280824 /nfs/dbraw/zinc/28/08/24/592280824.db2.gz PRXSTEDHIIHXNM-IEBWSBKVSA-N 2 1 347.459 1.724 20 0 EDADMP O=C(CC1CCCC1)N1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903725018 592283538 /nfs/dbraw/zinc/28/35/38/592283538.db2.gz UWMABMWPZOGNBN-QUCCMNQESA-N 2 1 349.519 1.870 20 0 EDADMP Cc1nc(CN2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cs1 ZINC000903738156 592300102 /nfs/dbraw/zinc/30/01/02/592300102.db2.gz YTAWGPGXQGMHBR-IRXDYDNUSA-N 2 1 336.505 1.338 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc(CC(C)(C)C[NH3+])n3)cn2)CC1 ZINC000904661481 592308596 /nfs/dbraw/zinc/30/85/96/592308596.db2.gz ZTHYNUNTUDPQNG-UHFFFAOYSA-N 2 1 330.436 1.411 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903767049 592309911 /nfs/dbraw/zinc/30/99/11/592309911.db2.gz SODKXNKEMUPLAV-IAGOWNOFSA-N 3 1 325.497 1.188 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903767049 592309914 /nfs/dbraw/zinc/30/99/14/592309914.db2.gz SODKXNKEMUPLAV-IAGOWNOFSA-N 3 1 325.497 1.188 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1C ZINC000908107409 592323318 /nfs/dbraw/zinc/32/33/18/592323318.db2.gz QPXGWBICPOSUGW-GOEBONIOSA-N 2 1 331.464 1.015 20 0 EDADMP C[N@H+](Cc1ccc(Cl)cc1-n1cncn1)C1(C[NH3+])CCOCC1 ZINC000903809886 592331388 /nfs/dbraw/zinc/33/13/88/592331388.db2.gz PGSSUOIFRJDLCY-UHFFFAOYSA-N 2 1 335.839 1.860 20 0 EDADMP C[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)C1(C[NH3+])CCOCC1 ZINC000903809886 592331393 /nfs/dbraw/zinc/33/13/93/592331393.db2.gz PGSSUOIFRJDLCY-UHFFFAOYSA-N 2 1 335.839 1.860 20 0 EDADMP FC(F)(F)c1ccnc([C@H]2CC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC000903825904 592335595 /nfs/dbraw/zinc/33/55/95/592335595.db2.gz DORCEWPZUHPIFS-RYUDHWBXSA-N 2 1 342.365 1.663 20 0 EDADMP C(C1CCOCC1)[C@H]1COCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903849609 592344740 /nfs/dbraw/zinc/34/47/40/592344740.db2.gz DZTIEFSUDQIQST-ROUUACIJSA-N 2 1 338.492 1.663 20 0 EDADMP CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903888415 592351675 /nfs/dbraw/zinc/35/16/75/592351675.db2.gz BOWNKECBGJDNOT-JKSUJKDBSA-N 2 1 348.495 1.187 20 0 EDADMP CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903888415 592351681 /nfs/dbraw/zinc/35/16/81/592351681.db2.gz BOWNKECBGJDNOT-JKSUJKDBSA-N 2 1 348.495 1.187 20 0 EDADMP CC(C)CNC(=O)C1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903877562 592357760 /nfs/dbraw/zinc/35/77/60/592357760.db2.gz BNIGWHYEDBOKON-INIZCTEOSA-N 2 1 348.495 1.187 20 0 EDADMP CC(C)N(C)C(=O)C1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903885181 592363240 /nfs/dbraw/zinc/36/32/40/592363240.db2.gz JALSWUXFTPWLFJ-MRXNPFEDSA-N 2 1 348.495 1.281 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cnn1C ZINC000903886581 592364507 /nfs/dbraw/zinc/36/45/07/592364507.db2.gz QVBABAGTHZSSBR-SFHVURJKSA-N 3 1 335.540 1.898 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cnn1C ZINC000903893252 592365576 /nfs/dbraw/zinc/36/55/76/592365576.db2.gz TVEZNVFTPWFANT-IRXDYDNUSA-N 2 1 347.507 1.180 20 0 EDADMP COc1ccc([C@@H](CO)[N@@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903893061 592365861 /nfs/dbraw/zinc/36/58/61/592365861.db2.gz PLVXLVFLWLYZIO-DNVCBOLYSA-N 2 1 346.475 1.520 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](CCO)Cc2ccc(C)cc2)cnn1C ZINC000903902604 592371608 /nfs/dbraw/zinc/37/16/08/592371608.db2.gz KHYQPMOCWPLLIS-SFHVURJKSA-N 2 1 330.476 1.649 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cnn1C ZINC000903908741 592374040 /nfs/dbraw/zinc/37/40/40/592374040.db2.gz PBSPICDEKZJPNA-MAUKXSAKSA-N 2 1 329.448 1.394 20 0 EDADMP CCOc1ccc(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1OC ZINC000903922658 592378604 /nfs/dbraw/zinc/37/86/04/592378604.db2.gz BMTGAORQDAESJT-HNNXBMFYSA-N 2 1 345.447 1.900 20 0 EDADMP CN1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1c1nc(C2CC2)no1 ZINC000903925879 592380037 /nfs/dbraw/zinc/38/00/37/592380037.db2.gz INBGKLPRTPVTRZ-YPAMNDHTSA-N 2 1 331.464 1.766 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cnn1C ZINC000903932391 592384561 /nfs/dbraw/zinc/38/45/61/592384561.db2.gz QJTLQUCJUZMQLS-UKBAYJJMSA-N 3 1 349.523 1.064 20 0 EDADMP CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903933815 592385070 /nfs/dbraw/zinc/38/50/70/592385070.db2.gz VZVQKLZVCNXNCH-ROUUACIJSA-N 2 1 340.475 1.913 20 0 EDADMP C[NH+]1CCN(C[C@@H]([NH2+]C[C@](C)(O)C(F)F)c2ccccc2)CC1 ZINC000905089032 592392641 /nfs/dbraw/zinc/39/26/41/592392641.db2.gz LBECOSDDXKOYFA-WBVHZDCISA-N 2 1 327.419 1.581 20 0 EDADMP Cc1cccc([C@@H](O)C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000905105220 592408077 /nfs/dbraw/zinc/40/80/77/592408077.db2.gz JUXHBZLZNMKKHR-SFHVURJKSA-N 2 1 333.476 1.561 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905122485 592417585 /nfs/dbraw/zinc/41/75/85/592417585.db2.gz PHFVUWJQVHIOBG-VQIMIIECSA-N 2 1 348.487 1.704 20 0 EDADMP O[C@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)CC1(O)CCCCC1 ZINC000905095345 592419932 /nfs/dbraw/zinc/41/99/32/592419932.db2.gz SCXOIYBCLHEBMK-KRWDZBQOSA-N 2 1 340.508 1.667 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1(O)CCC1 ZINC000905208494 592465832 /nfs/dbraw/zinc/46/58/32/592465832.db2.gz KPKUBRIXIWJGFL-NCXUSEDFSA-N 2 1 330.472 1.763 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2nccn2C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000904302623 592472105 /nfs/dbraw/zinc/47/21/05/592472105.db2.gz XHCHCGSYVPHTNT-GOEBONIOSA-N 2 1 331.464 1.298 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2nccn2C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000904302623 592472108 /nfs/dbraw/zinc/47/21/08/592472108.db2.gz XHCHCGSYVPHTNT-GOEBONIOSA-N 2 1 331.464 1.298 20 0 EDADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905357795 592505758 /nfs/dbraw/zinc/50/57/58/592505758.db2.gz BUAPVTQEDSCVRN-FHWLQOOXSA-N 2 1 348.487 1.125 20 0 EDADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905357795 592505761 /nfs/dbraw/zinc/50/57/61/592505761.db2.gz BUAPVTQEDSCVRN-FHWLQOOXSA-N 2 1 348.487 1.125 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905399973 592520895 /nfs/dbraw/zinc/52/08/95/592520895.db2.gz ORJLWJOZWBALRK-MDNKFWRPSA-N 2 1 348.487 1.247 20 0 EDADMP CO[C@H]1CCN(Cc2nc(C(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)co2)C1 ZINC000907204710 592545394 /nfs/dbraw/zinc/54/53/94/592545394.db2.gz GHUVHFLKIFKWKF-RDBSUJKOSA-N 2 1 336.436 1.060 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)c1ccccc1F)C2 ZINC000905503042 592546064 /nfs/dbraw/zinc/54/60/64/592546064.db2.gz MUEXGYNFVXPWHT-ZSXDVEMLSA-N 2 1 336.451 1.928 20 0 EDADMP CCOc1ccc(C[NH+]2CCN(C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000908691965 592573577 /nfs/dbraw/zinc/57/35/77/592573577.db2.gz CODIAVSFLKNSDO-LJQANCHMSA-N 2 1 347.503 1.660 20 0 EDADMP Cc1cn2nc(N3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)sc2n1 ZINC000905705698 592617743 /nfs/dbraw/zinc/61/77/43/592617743.db2.gz YAMOVKUAFGWFKN-OKILXGFUSA-N 2 1 332.477 1.504 20 0 EDADMP Cc1cn2nc(N3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)sc2n1 ZINC000905705698 592617746 /nfs/dbraw/zinc/61/77/46/592617746.db2.gz YAMOVKUAFGWFKN-OKILXGFUSA-N 2 1 332.477 1.504 20 0 EDADMP CCn1c([C@H]2CN(C)C[C@@H](C)O2)nnc1N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000908831710 592636301 /nfs/dbraw/zinc/63/63/01/592636301.db2.gz VYENWTIUUFLXGX-BASYENTBSA-N 2 1 348.495 1.078 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)C2)[nH+]1 ZINC000905926053 592685339 /nfs/dbraw/zinc/68/53/39/592685339.db2.gz VUIHCEDDGBYZCW-JZXOWHBKSA-N 2 1 335.448 1.026 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)C[C@@]3(O)CCOC3)C2)[nH+]1 ZINC000905926053 592685341 /nfs/dbraw/zinc/68/53/41/592685341.db2.gz VUIHCEDDGBYZCW-JZXOWHBKSA-N 2 1 335.448 1.026 20 0 EDADMP CCCn1ccnc1CCCN(C)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000907740448 592766908 /nfs/dbraw/zinc/76/69/08/592766908.db2.gz KLAXGGRBMGBUJB-SFHVURJKSA-N 2 1 336.480 1.531 20 0 EDADMP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N[C@@H]1CCC[C@@H]1n1ccnc1 ZINC000907798072 592799022 /nfs/dbraw/zinc/79/90/22/592799022.db2.gz CMLWXGMDKMJVGP-PMPSAXMXSA-N 2 1 338.477 1.382 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000907849793 592814088 /nfs/dbraw/zinc/81/40/88/592814088.db2.gz AEKCKSTUUIOCAB-KRWDZBQOSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000907849793 592814092 /nfs/dbraw/zinc/81/40/92/592814092.db2.gz AEKCKSTUUIOCAB-KRWDZBQOSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000907849793 592814095 /nfs/dbraw/zinc/81/40/95/592814095.db2.gz AEKCKSTUUIOCAB-KRWDZBQOSA-N 2 1 338.540 1.639 20 0 EDADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)C1CN(C)CC[N@@H+](C)C1)c1ccccc1 ZINC000906556972 592844064 /nfs/dbraw/zinc/84/40/64/592844064.db2.gz RZSHVWALFMMEOX-MRXNPFEDSA-N 2 1 346.519 1.725 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911625448 592968025 /nfs/dbraw/zinc/96/80/25/592968025.db2.gz WRZNPCYJUJWLAF-GXFFZTMASA-N 2 1 342.237 1.407 20 0 EDADMP CC1(C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000911837014 593020286 /nfs/dbraw/zinc/02/02/86/593020286.db2.gz BJXWCGACWNDUDN-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP CC[C@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)[NH+](CC)CC ZINC000911837641 593020590 /nfs/dbraw/zinc/02/05/90/593020590.db2.gz DMYJRRXCOSBHPU-BZUAXINKSA-N 2 1 325.497 1.722 20 0 EDADMP C[NH+]1CCC(N(CCO)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000911941445 593036841 /nfs/dbraw/zinc/03/68/41/593036841.db2.gz AGFFMURGDXCZAM-KRWDZBQOSA-N 2 1 329.460 1.114 20 0 EDADMP COc1c(C)cnc(CNC(=O)NCC[N@H+]2CCCOCC2)c1C ZINC000782952277 593131134 /nfs/dbraw/zinc/13/11/34/593131134.db2.gz ACHBGSYYQFZKAW-UHFFFAOYSA-N 2 1 336.436 1.229 20 0 EDADMP COc1c(C)cnc(CNC(=O)NCCN2CCCOCC2)c1C ZINC000782952277 593131136 /nfs/dbraw/zinc/13/11/36/593131136.db2.gz ACHBGSYYQFZKAW-UHFFFAOYSA-N 2 1 336.436 1.229 20 0 EDADMP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000839148855 593264967 /nfs/dbraw/zinc/26/49/67/593264967.db2.gz NQRVIYYLFCXHSR-RHSMWYFYSA-N 2 1 339.505 1.805 20 0 EDADMP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000839148855 593264968 /nfs/dbraw/zinc/26/49/68/593264968.db2.gz NQRVIYYLFCXHSR-RHSMWYFYSA-N 2 1 339.505 1.805 20 0 EDADMP C[N@H+](CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CCC1 ZINC000840010092 593345641 /nfs/dbraw/zinc/34/56/41/593345641.db2.gz FBCYFBREMYUMCI-CALCHBBNSA-N 2 1 327.428 1.545 20 0 EDADMP C[N@@H+](CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CCC1 ZINC000840010092 593345644 /nfs/dbraw/zinc/34/56/44/593345644.db2.gz FBCYFBREMYUMCI-CALCHBBNSA-N 2 1 327.428 1.545 20 0 EDADMP C[NH+](CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C1CCC1 ZINC000840010092 593345647 /nfs/dbraw/zinc/34/56/47/593345647.db2.gz FBCYFBREMYUMCI-CALCHBBNSA-N 2 1 327.428 1.545 20 0 EDADMP C[NH+](CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O)C1CCC1 ZINC000840010092 593345650 /nfs/dbraw/zinc/34/56/50/593345650.db2.gz FBCYFBREMYUMCI-CALCHBBNSA-N 2 1 327.428 1.545 20 0 EDADMP C[N@@H+](C[C@@H](O)CN1CCC(C)(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000809985394 593373914 /nfs/dbraw/zinc/37/39/14/593373914.db2.gz KYOPVXOFHZFWOU-OAHLLOKOSA-N 2 1 341.496 1.821 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C(=O)C3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000811747616 593478331 /nfs/dbraw/zinc/47/83/31/593478331.db2.gz PESMJCIWWWSIPT-SJORKVTESA-N 2 1 335.492 1.778 20 0 EDADMP Cc1cc(N2CCC([NH2+][C@H](C)C[C@@H]3CCC(=O)N3)CC2)nc(C)[nH+]1 ZINC000813328354 593526944 /nfs/dbraw/zinc/52/69/44/593526944.db2.gz IQGTVXIGEOUXCM-WBMJQRKESA-N 2 1 331.464 1.709 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC000818038990 593659924 /nfs/dbraw/zinc/65/99/24/593659924.db2.gz NUBMJPJOFHFSGN-DAYGRLMNSA-N 2 1 341.471 1.521 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC000818038990 593659926 /nfs/dbraw/zinc/65/99/26/593659926.db2.gz NUBMJPJOFHFSGN-DAYGRLMNSA-N 2 1 341.471 1.521 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC000818038990 593659927 /nfs/dbraw/zinc/65/99/27/593659927.db2.gz NUBMJPJOFHFSGN-DAYGRLMNSA-N 2 1 341.471 1.521 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000818998724 593733147 /nfs/dbraw/zinc/73/31/47/593733147.db2.gz USPBCMJFVRVZPD-SJORKVTESA-N 2 1 337.439 1.391 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000818998724 593733148 /nfs/dbraw/zinc/73/31/48/593733148.db2.gz USPBCMJFVRVZPD-SJORKVTESA-N 2 1 337.439 1.391 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000819043761 593735294 /nfs/dbraw/zinc/73/52/94/593735294.db2.gz WFZLHKSPEWDEBP-KRWDZBQOSA-N 2 1 337.439 1.391 20 0 EDADMP COc1cccc([C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000819062729 593736730 /nfs/dbraw/zinc/73/67/30/593736730.db2.gz SNTWJSYYIROURX-RBUKOAKNSA-N 2 1 334.460 1.962 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(F)ccc1F ZINC000819172857 593742713 /nfs/dbraw/zinc/74/27/13/593742713.db2.gz GNZXOTFYDFRGPT-KZNAEPCWSA-N 2 1 340.414 1.966 20 0 EDADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1=CC[N@@H+](C)CC1 ZINC000819219673 593744865 /nfs/dbraw/zinc/74/48/65/593744865.db2.gz FOMQTYPJPLSKLG-DYVFJYSZSA-N 2 1 338.473 1.364 20 0 EDADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623438 593885173 /nfs/dbraw/zinc/88/51/73/593885173.db2.gz LILCJQGEKDXPGT-GDBMZVCRSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623438 593885175 /nfs/dbraw/zinc/88/51/75/593885175.db2.gz LILCJQGEKDXPGT-GDBMZVCRSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623438 593885177 /nfs/dbraw/zinc/88/51/77/593885177.db2.gz LILCJQGEKDXPGT-GDBMZVCRSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623438 593885179 /nfs/dbraw/zinc/88/51/79/593885179.db2.gz LILCJQGEKDXPGT-GDBMZVCRSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625263 593886482 /nfs/dbraw/zinc/88/64/82/593886482.db2.gz JLBODGJGEAUTGA-XJKSGUPXSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625263 593886483 /nfs/dbraw/zinc/88/64/83/593886483.db2.gz JLBODGJGEAUTGA-XJKSGUPXSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625263 593886485 /nfs/dbraw/zinc/88/64/85/593886485.db2.gz JLBODGJGEAUTGA-XJKSGUPXSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625263 593886487 /nfs/dbraw/zinc/88/64/87/593886487.db2.gz JLBODGJGEAUTGA-XJKSGUPXSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821625615 593887203 /nfs/dbraw/zinc/88/72/03/593887203.db2.gz RXDJHCJJWDDXQA-UHFFFAOYSA-N 2 1 335.481 1.045 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCC[C@H]2CCCO)C1 ZINC000820809701 593894957 /nfs/dbraw/zinc/89/49/57/593894957.db2.gz GUOBZNTUYKJEJA-GVDBMIGSSA-N 2 1 325.497 1.495 20 0 EDADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cnnn1C ZINC000820812930 593895700 /nfs/dbraw/zinc/89/57/00/593895700.db2.gz VPZFLAPVFMZDCL-CQSZACIVSA-N 2 1 329.448 1.623 20 0 EDADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821087459 593962192 /nfs/dbraw/zinc/96/21/92/593962192.db2.gz BKDXDVKSINHWME-RHSMWYFYSA-N 2 1 344.463 1.564 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821087459 593962193 /nfs/dbraw/zinc/96/21/93/593962193.db2.gz BKDXDVKSINHWME-RHSMWYFYSA-N 2 1 344.463 1.564 20 0 EDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821087459 593962194 /nfs/dbraw/zinc/96/21/94/593962194.db2.gz BKDXDVKSINHWME-RHSMWYFYSA-N 2 1 344.463 1.564 20 0 EDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821087459 593962195 /nfs/dbraw/zinc/96/21/95/593962195.db2.gz BKDXDVKSINHWME-RHSMWYFYSA-N 2 1 344.463 1.564 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000821369386 594030309 /nfs/dbraw/zinc/03/03/09/594030309.db2.gz SQNGDTJDQYIKEU-GJZGRUSLSA-N 2 1 329.485 1.534 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000821369386 594030310 /nfs/dbraw/zinc/03/03/10/594030310.db2.gz SQNGDTJDQYIKEU-GJZGRUSLSA-N 2 1 329.485 1.534 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000821369386 594030312 /nfs/dbraw/zinc/03/03/12/594030312.db2.gz SQNGDTJDQYIKEU-GJZGRUSLSA-N 2 1 329.485 1.534 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000821369386 594030314 /nfs/dbraw/zinc/03/03/14/594030314.db2.gz SQNGDTJDQYIKEU-GJZGRUSLSA-N 2 1 329.485 1.534 20 0 EDADMP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000822704122 594088074 /nfs/dbraw/zinc/08/80/74/594088074.db2.gz BMIDDORCKRKHBQ-KRWDZBQOSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000822704122 594088077 /nfs/dbraw/zinc/08/80/77/594088077.db2.gz BMIDDORCKRKHBQ-KRWDZBQOSA-N 2 1 345.487 1.830 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000828054136 594331432 /nfs/dbraw/zinc/33/14/32/594331432.db2.gz UEYFEFISNILPAD-CYBMUJFWSA-N 2 1 340.855 1.394 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000830148470 594345555 /nfs/dbraw/zinc/34/55/55/594345555.db2.gz YMUZOGDERZTULS-GOSISDBHSA-N 2 1 330.476 1.394 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CCCCC[NH3+] ZINC000830148360 594345863 /nfs/dbraw/zinc/34/58/63/594345863.db2.gz SLSPBDNDBNKHFN-UHFFFAOYSA-N 2 1 332.492 1.786 20 0 EDADMP [NH3+]CCCCCCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000831138353 594566233 /nfs/dbraw/zinc/56/62/33/594566233.db2.gz RRWBYZWJHJYNIO-HOTGVXAUSA-N 2 1 326.485 1.448 20 0 EDADMP CC[C@@H](C[C@@H](C)O)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000831311438 594605279 /nfs/dbraw/zinc/60/52/79/594605279.db2.gz OMMSJRLMGNHDSX-WBVHZDCISA-N 2 1 339.524 1.848 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NCC2([NH+](C)C)CCC2)C[C@@H]1C ZINC000826968085 594613541 /nfs/dbraw/zinc/61/35/41/594613541.db2.gz HZCGMCLMTGVKEA-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](CNC(=O)C[C@@H]([NH3+])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000827050338 594630774 /nfs/dbraw/zinc/63/07/74/594630774.db2.gz WYTRNXJBWNDJER-CRAIPNDOSA-N 2 1 330.476 1.441 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)CC[C@H]21 ZINC000827311575 594660227 /nfs/dbraw/zinc/66/02/27/594660227.db2.gz PZERCNXHRKLIOC-GUDVDZBRSA-N 2 1 343.471 1.440 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)CC[C@H]21 ZINC000827311575 594660228 /nfs/dbraw/zinc/66/02/28/594660228.db2.gz PZERCNXHRKLIOC-GUDVDZBRSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)CC[C@H]21 ZINC000827311575 594660229 /nfs/dbraw/zinc/66/02/29/594660229.db2.gz PZERCNXHRKLIOC-GUDVDZBRSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CC[C@H]21 ZINC000827311575 594660230 /nfs/dbraw/zinc/66/02/30/594660230.db2.gz PZERCNXHRKLIOC-GUDVDZBRSA-N 2 1 343.471 1.440 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000831510242 594679869 /nfs/dbraw/zinc/67/98/69/594679869.db2.gz JNRUZDRGVTVZOF-INIZCTEOSA-N 2 1 348.447 1.046 20 0 EDADMP [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841790451 594953466 /nfs/dbraw/zinc/95/34/66/594953466.db2.gz WPEPKFOCMUCGIM-DLBZAZTESA-N 2 1 338.496 1.400 20 0 EDADMP [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000841790454 594953472 /nfs/dbraw/zinc/95/34/72/594953472.db2.gz WPEPKFOCMUCGIM-SJORKVTESA-N 2 1 338.496 1.400 20 0 EDADMP [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841791219 594953730 /nfs/dbraw/zinc/95/37/30/594953730.db2.gz PPELQSAGFVOTMX-ROUUACIJSA-N 2 1 346.475 1.063 20 0 EDADMP CN(C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CCC([NH3+])CC1 ZINC000841860206 594966805 /nfs/dbraw/zinc/96/68/05/594966805.db2.gz MKGPPEPTXRHJJC-BHUNQDJPSA-N 2 1 338.496 1.541 20 0 EDADMP CC[NH+]1CCN(c2ccc(-c3noc(CCC[NH3+])n3)cc2F)CC1 ZINC000843205869 595034025 /nfs/dbraw/zinc/03/40/25/595034025.db2.gz SVBDCPASEVHDED-UHFFFAOYSA-N 2 1 333.411 1.909 20 0 EDADMP C[NH2+]CCCc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000843206469 595034538 /nfs/dbraw/zinc/03/45/38/595034538.db2.gz YCULJZQKEUVATO-UHFFFAOYSA-N 2 1 330.436 1.426 20 0 EDADMP CC(C)CNC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000843344895 595081471 /nfs/dbraw/zinc/08/14/71/595081471.db2.gz FSZGSOWKNZYLEZ-UHFFFAOYSA-N 2 1 346.475 1.682 20 0 EDADMP CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cc(=O)oc2c1 ZINC000843364409 595088608 /nfs/dbraw/zinc/08/86/08/595088608.db2.gz IAOYPFNOCBLAKI-YPMHNXCESA-N 2 1 329.400 1.921 20 0 EDADMP C[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843494069 595130029 /nfs/dbraw/zinc/13/00/29/595130029.db2.gz IFWIYPCRSVDKRG-WDSOQIARSA-N 2 1 345.487 1.782 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000846137079 595154646 /nfs/dbraw/zinc/15/46/46/595154646.db2.gz RJJBKNBFJPLRFJ-UHFFFAOYSA-N 2 1 342.447 1.846 20 0 EDADMP Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000846227843 595179667 /nfs/dbraw/zinc/17/96/67/595179667.db2.gz WLAARTHMEIZOTR-UHFFFAOYSA-N 2 1 342.509 1.105 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1)[C@H]1CCC[NH2+]1 ZINC000843057060 595276484 /nfs/dbraw/zinc/27/64/84/595276484.db2.gz FWUVIICZEJKYSK-QFBILLFUSA-N 2 1 343.471 1.797 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844178479 595293544 /nfs/dbraw/zinc/29/35/44/595293544.db2.gz WVMYUBRRMJOMKZ-SQNIBIBYSA-N 2 1 337.508 1.868 20 0 EDADMP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000844187229 595296383 /nfs/dbraw/zinc/29/63/83/595296383.db2.gz HCRQNAGXBPFMRI-ROUUACIJSA-N 2 1 331.460 1.536 20 0 EDADMP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000846836330 595323795 /nfs/dbraw/zinc/32/37/95/595323795.db2.gz PFZZRXGIRZPJRM-PMPSAXMXSA-N 2 1 343.512 1.924 20 0 EDADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000846836330 595323798 /nfs/dbraw/zinc/32/37/98/595323798.db2.gz PFZZRXGIRZPJRM-PMPSAXMXSA-N 2 1 343.512 1.924 20 0 EDADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000846836330 595323801 /nfs/dbraw/zinc/32/38/01/595323801.db2.gz PFZZRXGIRZPJRM-PMPSAXMXSA-N 2 1 343.512 1.924 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000847311527 595393725 /nfs/dbraw/zinc/39/37/25/595393725.db2.gz GNQAQLZAEKRCEG-NCOADZHNSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847311527 595393728 /nfs/dbraw/zinc/39/37/28/595393728.db2.gz GNQAQLZAEKRCEG-NCOADZHNSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847311527 595393731 /nfs/dbraw/zinc/39/37/31/595393731.db2.gz GNQAQLZAEKRCEG-NCOADZHNSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000847406173 595412697 /nfs/dbraw/zinc/41/26/97/595412697.db2.gz BKESPEGAQXDYJQ-CEXWTWQISA-N 2 1 343.471 1.488 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000847406173 595412698 /nfs/dbraw/zinc/41/26/98/595412698.db2.gz BKESPEGAQXDYJQ-CEXWTWQISA-N 2 1 343.471 1.488 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000847406173 595412700 /nfs/dbraw/zinc/41/27/00/595412700.db2.gz BKESPEGAQXDYJQ-CEXWTWQISA-N 2 1 343.471 1.488 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848605496 595417090 /nfs/dbraw/zinc/41/70/90/595417090.db2.gz NFZDXZYDTVDLMJ-CUSZFKRNSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848605496 595417093 /nfs/dbraw/zinc/41/70/93/595417093.db2.gz NFZDXZYDTVDLMJ-CUSZFKRNSA-N 2 1 338.496 1.269 20 0 EDADMP C[N@@H+](CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C1CCCCC1 ZINC000849058533 595476736 /nfs/dbraw/zinc/47/67/36/595476736.db2.gz INVXAWPGZVIPTD-UHFFFAOYSA-N 2 1 345.495 1.387 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000849101942 595482339 /nfs/dbraw/zinc/48/23/39/595482339.db2.gz AUTACCLZGPGZDJ-OAHLLOKOSA-N 3 1 339.528 1.474 20 0 EDADMP CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849488474 595549237 /nfs/dbraw/zinc/54/92/37/595549237.db2.gz OQWJPDNAFARXRL-QZTJIDSGSA-N 2 1 347.507 1.446 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849495930 595550913 /nfs/dbraw/zinc/55/09/13/595550913.db2.gz GXQHVZKTDQSJOE-DJIMGWMZSA-N 2 1 335.496 1.300 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503998 595553284 /nfs/dbraw/zinc/55/32/84/595553284.db2.gz AQIIJQCIQUEMDT-RYQLBKOJSA-N 2 1 347.507 1.302 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503998 595553287 /nfs/dbraw/zinc/55/32/87/595553287.db2.gz AQIIJQCIQUEMDT-RYQLBKOJSA-N 2 1 347.507 1.302 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503998 595553288 /nfs/dbraw/zinc/55/32/88/595553288.db2.gz AQIIJQCIQUEMDT-RYQLBKOJSA-N 2 1 347.507 1.302 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849521665 595558453 /nfs/dbraw/zinc/55/84/53/595558453.db2.gz USWLBGAOKIWAKP-SJORKVTESA-N 2 1 333.480 1.010 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849541571 595560856 /nfs/dbraw/zinc/56/08/56/595560856.db2.gz PFQAHBOPPCVEIJ-DJIMGWMZSA-N 2 1 335.496 1.302 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000849557271 595566163 /nfs/dbraw/zinc/56/61/63/595566163.db2.gz FZISBBFVWJVBFH-ZJPYXAASSA-N 2 1 347.507 1.444 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[N@H+]1C1CC1 ZINC000849559315 595567112 /nfs/dbraw/zinc/56/71/12/595567112.db2.gz TUNRUQRJUWSXMR-SIUPPRGNSA-N 2 1 345.491 1.197 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C[NH+]1C1CC1 ZINC000849559315 595567113 /nfs/dbraw/zinc/56/71/13/595567113.db2.gz TUNRUQRJUWSXMR-SIUPPRGNSA-N 2 1 345.491 1.197 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C[NH+]1C1CC1 ZINC000849559315 595567116 /nfs/dbraw/zinc/56/71/16/595567116.db2.gz TUNRUQRJUWSXMR-SIUPPRGNSA-N 2 1 345.491 1.197 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+](C)CC2(C)C)cn1 ZINC000849574114 595576441 /nfs/dbraw/zinc/57/64/41/595576441.db2.gz WHJJZTFTBFBNDC-JKSUJKDBSA-N 2 1 333.480 1.008 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[N@H+](C)CC2(C)C)cn1 ZINC000849574114 595576442 /nfs/dbraw/zinc/57/64/42/595576442.db2.gz WHJJZTFTBFBNDC-JKSUJKDBSA-N 2 1 333.480 1.008 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[N@@H+](C)CC2(C)C)cn1 ZINC000849574114 595576443 /nfs/dbraw/zinc/57/64/43/595576443.db2.gz WHJJZTFTBFBNDC-JKSUJKDBSA-N 2 1 333.480 1.008 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852870532 595590192 /nfs/dbraw/zinc/59/01/92/595590192.db2.gz DGWXDCIJHKGPDA-VNQPRFMTSA-N 2 1 330.432 1.117 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000857852580 595633462 /nfs/dbraw/zinc/63/34/62/595633462.db2.gz SMQIRKYWASHWHR-QGZVFWFLSA-N 2 1 341.459 1.868 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000857852580 595633465 /nfs/dbraw/zinc/63/34/65/595633465.db2.gz SMQIRKYWASHWHR-QGZVFWFLSA-N 2 1 341.459 1.868 20 0 EDADMP O[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccn1 ZINC000853103905 595665685 /nfs/dbraw/zinc/66/56/85/595665685.db2.gz CRPXVESMIRMXDR-PKOBYXMFSA-N 2 1 327.428 1.471 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000855345505 595680090 /nfs/dbraw/zinc/68/00/90/595680090.db2.gz CEBJMKFNUGIDQT-YOEHRIQHSA-N 2 1 347.459 1.676 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000855345505 595680094 /nfs/dbraw/zinc/68/00/94/595680094.db2.gz CEBJMKFNUGIDQT-YOEHRIQHSA-N 2 1 347.459 1.676 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)N1CCc2ccccc21 ZINC000855346278 595680433 /nfs/dbraw/zinc/68/04/33/595680433.db2.gz VCANTVQAMPCKIR-IRXDYDNUSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)N1CCc2ccccc21 ZINC000855346278 595680435 /nfs/dbraw/zinc/68/04/35/595680435.db2.gz VCANTVQAMPCKIR-IRXDYDNUSA-N 2 1 346.519 1.826 20 0 EDADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)O2 ZINC000851732543 595901112 /nfs/dbraw/zinc/90/11/12/595901112.db2.gz SYVJJDROSDKNRJ-QLFBSQMISA-N 2 1 337.464 1.306 20 0 EDADMP COC(CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)OC ZINC000851764894 595914823 /nfs/dbraw/zinc/91/48/23/595914823.db2.gz NTEXNWFOBZCGTQ-UHFFFAOYSA-N 2 1 335.492 1.745 20 0 EDADMP NC(=O)[C@](O)(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000851861051 595952166 /nfs/dbraw/zinc/95/21/66/595952166.db2.gz NOBPDHQXKQHMEP-CVAIRZPRSA-N 2 1 343.471 1.308 20 0 EDADMP NC(=O)[C@](O)(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000851861051 595952167 /nfs/dbraw/zinc/95/21/67/595952167.db2.gz NOBPDHQXKQHMEP-CVAIRZPRSA-N 2 1 343.471 1.308 20 0 EDADMP NC(=O)[C@](O)(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000851861051 595952169 /nfs/dbraw/zinc/95/21/69/595952169.db2.gz NOBPDHQXKQHMEP-CVAIRZPRSA-N 2 1 343.471 1.308 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCC(=O)N3)C2)ccn1 ZINC000856583364 596020158 /nfs/dbraw/zinc/02/01/58/596020158.db2.gz FYXIWFSHYQCZLM-WMLDXEAASA-N 2 1 332.448 1.265 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCC(=O)N3)C2)ccn1 ZINC000856583364 596020162 /nfs/dbraw/zinc/02/01/62/596020162.db2.gz FYXIWFSHYQCZLM-WMLDXEAASA-N 2 1 332.448 1.265 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCC(=O)N3)C2)ccn1 ZINC000856583364 596020166 /nfs/dbraw/zinc/02/01/66/596020166.db2.gz FYXIWFSHYQCZLM-WMLDXEAASA-N 2 1 332.448 1.265 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC000861564851 596031317 /nfs/dbraw/zinc/03/13/17/596031317.db2.gz RDQHPUZRRZXVSA-IUODEOHRSA-N 2 1 328.420 1.515 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854333029 596038626 /nfs/dbraw/zinc/03/86/26/596038626.db2.gz LYBZHRNYUAHTRP-QGZVFWFLSA-N 2 1 334.464 1.685 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856633502 596039808 /nfs/dbraw/zinc/03/98/08/596039808.db2.gz XYQFYDJXEWVTDN-SFHVURJKSA-N 2 1 348.491 1.855 20 0 EDADMP C[C@@]1(CNC(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000861629993 596051797 /nfs/dbraw/zinc/05/17/97/596051797.db2.gz NNAYJHOXRVJZEJ-HKUYNNGSSA-N 2 1 346.475 1.186 20 0 EDADMP C[C@@H]1CN(C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)CC[N@@H+]1CCO ZINC000857185683 596179665 /nfs/dbraw/zinc/17/96/65/596179665.db2.gz DXWAPEJNSZULIW-VQIMIIECSA-N 2 1 345.487 1.634 20 0 EDADMP C[C@@H]1CN(C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)CC[N@H+]1CCO ZINC000857185683 596179667 /nfs/dbraw/zinc/17/96/67/596179667.db2.gz DXWAPEJNSZULIW-VQIMIIECSA-N 2 1 345.487 1.634 20 0 EDADMP C[C@@H]1CN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC[NH+]1CCO ZINC000857185683 596179670 /nfs/dbraw/zinc/17/96/70/596179670.db2.gz DXWAPEJNSZULIW-VQIMIIECSA-N 2 1 345.487 1.634 20 0 EDADMP C[C@@H]1CN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC[NH+]1CCO ZINC000857185683 596179673 /nfs/dbraw/zinc/17/96/73/596179673.db2.gz DXWAPEJNSZULIW-VQIMIIECSA-N 2 1 345.487 1.634 20 0 EDADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000852707990 596230998 /nfs/dbraw/zinc/23/09/98/596230998.db2.gz NRCJPVZMWKFYFG-INIZCTEOSA-N 2 1 339.480 1.384 20 0 EDADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000852707990 596231000 /nfs/dbraw/zinc/23/10/00/596231000.db2.gz NRCJPVZMWKFYFG-INIZCTEOSA-N 2 1 339.480 1.384 20 0 EDADMP CC[NH+]1CCC([NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC000866526528 596242363 /nfs/dbraw/zinc/24/23/63/596242363.db2.gz KPNQYVZMAUKHKR-UHFFFAOYSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000868750217 596294505 /nfs/dbraw/zinc/29/45/05/596294505.db2.gz HBYRIECIERXFSX-UUAJXVIYSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000868750217 596294508 /nfs/dbraw/zinc/29/45/08/596294508.db2.gz HBYRIECIERXFSX-UUAJXVIYSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000868750217 596294512 /nfs/dbraw/zinc/29/45/12/596294512.db2.gz HBYRIECIERXFSX-UUAJXVIYSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000868750217 596294516 /nfs/dbraw/zinc/29/45/16/596294516.db2.gz HBYRIECIERXFSX-UUAJXVIYSA-N 2 1 338.496 1.220 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](CCC2SCCS2)C1 ZINC000866711831 596305316 /nfs/dbraw/zinc/30/53/16/596305316.db2.gz OWHILTBQZFWNGP-GRYCIOLGSA-N 2 1 329.491 1.050 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000870891568 596392997 /nfs/dbraw/zinc/39/29/97/596392997.db2.gz FQAIRCYBCFICNP-YSHGAJCASA-N 2 1 345.487 1.910 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000870891568 596393001 /nfs/dbraw/zinc/39/30/01/596393001.db2.gz FQAIRCYBCFICNP-YSHGAJCASA-N 2 1 345.487 1.910 20 0 EDADMP [NH3+]C1(CNC(=O)CC[NH2+]CC2CC2)CCN(Cc2ccccc2)CC1 ZINC000870948630 596416169 /nfs/dbraw/zinc/41/61/69/596416169.db2.gz TVVOICJZBJJPIH-UHFFFAOYSA-N 2 1 344.503 1.486 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000870969521 596421582 /nfs/dbraw/zinc/42/15/82/596421582.db2.gz DESIJIZKIROKKY-GZOSKZMVSA-N 2 1 331.460 1.763 20 0 EDADMP CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1)[NH+](C)C ZINC000871283092 596523399 /nfs/dbraw/zinc/52/33/99/596523399.db2.gz GNKHWCKXZIPSNY-QZTJIDSGSA-N 2 1 333.476 1.652 20 0 EDADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1)[NH+](C)C ZINC000871283092 596523401 /nfs/dbraw/zinc/52/34/01/596523401.db2.gz GNKHWCKXZIPSNY-QZTJIDSGSA-N 2 1 333.476 1.652 20 0 EDADMP CC(C)(C)n1cc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cn1 ZINC000863548274 596614700 /nfs/dbraw/zinc/61/47/00/596614700.db2.gz OZGPTPIYAZOFFO-CVEARBPZSA-N 2 1 347.463 1.395 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000869782227 596634233 /nfs/dbraw/zinc/63/42/33/596634233.db2.gz IAPGCKFPAHZXCZ-ROUUACIJSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000869782227 596634235 /nfs/dbraw/zinc/63/42/35/596634235.db2.gz IAPGCKFPAHZXCZ-ROUUACIJSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000869782227 596634236 /nfs/dbraw/zinc/63/42/36/596634236.db2.gz IAPGCKFPAHZXCZ-ROUUACIJSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CC[C@@](C)(C(F)(F)F)C2)C1=O ZINC000871598957 596647890 /nfs/dbraw/zinc/64/78/90/596647890.db2.gz FQGYEWBFXFXPJX-SMDDNHRTSA-N 2 1 335.370 1.340 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CC[C@@](C)(C(F)(F)F)C2)C1=O ZINC000871598957 596647891 /nfs/dbraw/zinc/64/78/91/596647891.db2.gz FQGYEWBFXFXPJX-SMDDNHRTSA-N 2 1 335.370 1.340 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000868173752 596711464 /nfs/dbraw/zinc/71/14/64/596711464.db2.gz ZCLQLNNPQNFKBF-HNNXBMFYSA-N 2 1 348.447 1.135 20 0 EDADMP C[NH+](C)C1(C)CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000868215710 596728005 /nfs/dbraw/zinc/72/80/05/596728005.db2.gz FNVRHZFMZZLXEU-NDUQDZPOSA-N 2 1 338.496 1.412 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868243763 596743285 /nfs/dbraw/zinc/74/32/85/596743285.db2.gz NPAYVYGDHBTGTR-RRQGHBQHSA-N 2 1 344.459 1.382 20 0 EDADMP COC(=O)/C=C/c1ccc(OCC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872154168 596815193 /nfs/dbraw/zinc/81/51/93/596815193.db2.gz MHLLFNIDFIAKLP-MZKHAQQWSA-N 2 1 330.428 1.793 20 0 EDADMP COC(=O)/C=C/c1ccc(OCC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872154168 596815195 /nfs/dbraw/zinc/81/51/95/596815195.db2.gz MHLLFNIDFIAKLP-MZKHAQQWSA-N 2 1 330.428 1.793 20 0 EDADMP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156995 596815661 /nfs/dbraw/zinc/81/56/61/596815661.db2.gz GEVWELNFFVHAEQ-GOEBONIOSA-N 2 1 338.496 1.842 20 0 EDADMP O[C@]1(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH+](Cc2ccccc2)C1 ZINC000872200277 596832199 /nfs/dbraw/zinc/83/21/99/596832199.db2.gz YZAPUNWDNCYBEI-AABGKKOBSA-N 2 1 345.487 1.076 20 0 EDADMP O[C@]1(CNC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@H+](Cc2ccccc2)C1 ZINC000872200277 596832202 /nfs/dbraw/zinc/83/22/02/596832202.db2.gz YZAPUNWDNCYBEI-AABGKKOBSA-N 2 1 345.487 1.076 20 0 EDADMP O[C@]1(CNC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000872200277 596832207 /nfs/dbraw/zinc/83/22/07/596832207.db2.gz YZAPUNWDNCYBEI-AABGKKOBSA-N 2 1 345.487 1.076 20 0 EDADMP COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000872252570 596854291 /nfs/dbraw/zinc/85/42/91/596854291.db2.gz TXYLJZQAVKXZOI-HBUWYVDXSA-N 2 1 338.448 1.172 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000872254885 596855794 /nfs/dbraw/zinc/85/57/94/596855794.db2.gz FRBUCBDRGSMCOX-BPQIPLTHSA-N 2 1 338.411 1.602 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000875592887 596908634 /nfs/dbraw/zinc/90/86/34/596908634.db2.gz VZOKRJVCPXQHFI-INIZCTEOSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccns1 ZINC000875712941 596957059 /nfs/dbraw/zinc/95/70/59/596957059.db2.gz DSDHLJHXLFAEBY-QWHCGFSZSA-N 2 1 327.498 1.775 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccns1 ZINC000875712941 596957062 /nfs/dbraw/zinc/95/70/62/596957062.db2.gz DSDHLJHXLFAEBY-QWHCGFSZSA-N 2 1 327.498 1.775 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000876202774 597132959 /nfs/dbraw/zinc/13/29/59/597132959.db2.gz VWHNADNAKIJDHO-WMZOPIPTSA-N 2 1 340.512 1.395 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000874841210 597195085 /nfs/dbraw/zinc/19/50/85/597195085.db2.gz AEYHZMABLVKZEM-DZVNLGKHSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000874841210 597195087 /nfs/dbraw/zinc/19/50/87/597195087.db2.gz AEYHZMABLVKZEM-DZVNLGKHSA-N 2 1 337.508 1.815 20 0 EDADMP [NH3+]C[C@@H]1CCCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000876513319 597225704 /nfs/dbraw/zinc/22/57/04/597225704.db2.gz BVUQYHFSMQUYDU-SFHVURJKSA-N 3 1 344.503 1.567 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)C1 ZINC000876521092 597229500 /nfs/dbraw/zinc/22/95/00/597229500.db2.gz HCLWEKCISBXEPV-CABCVRRESA-N 2 1 345.443 1.876 20 0 EDADMP CC(C)(CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000876722888 597305740 /nfs/dbraw/zinc/30/57/40/597305740.db2.gz HNYGGYLKGWANCM-NVXWUHKLSA-N 2 1 333.451 1.887 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876727503 597308329 /nfs/dbraw/zinc/30/83/29/597308329.db2.gz MJBSLTGWDWVFDE-HOCLYGCPSA-N 2 1 331.464 1.330 20 0 EDADMP CN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000876778937 597337578 /nfs/dbraw/zinc/33/75/78/597337578.db2.gz SNKIHLXOMQHKEN-UHFFFAOYSA-N 2 1 327.432 1.756 20 0 EDADMP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000876960817 597397515 /nfs/dbraw/zinc/39/75/15/597397515.db2.gz NKFHUJPLEDUIGS-KRCKVYFQSA-N 2 1 343.471 1.425 20 0 EDADMP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H]([NH3+])COC(C)C ZINC000877030793 597416388 /nfs/dbraw/zinc/41/63/88/597416388.db2.gz LRXUKSVDABLUOP-SOLBZPMBSA-N 2 1 331.460 1.882 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)[C@](C)(N)c2ccccc2)C[C@H]1C[NH+](C)C ZINC000877143277 597442236 /nfs/dbraw/zinc/44/22/36/597442236.db2.gz KKDNVLWBGOMQIB-GPMSIDNRSA-N 2 1 332.492 1.058 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)CC[N@H+]1C ZINC000877206809 597462108 /nfs/dbraw/zinc/46/21/08/597462108.db2.gz QOVARGJRVIBRKM-DLBZAZTESA-N 2 1 342.447 1.073 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000877230309 597469809 /nfs/dbraw/zinc/46/98/09/597469809.db2.gz YRMVQJZLIJCQOL-OALUTQOASA-N 2 1 345.487 1.844 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000877230309 597469810 /nfs/dbraw/zinc/46/98/10/597469810.db2.gz YRMVQJZLIJCQOL-OALUTQOASA-N 2 1 345.487 1.844 20 0 EDADMP [NH3+][C@H](C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)c1ccc(F)cc1F ZINC000877341529 597495966 /nfs/dbraw/zinc/49/59/66/597495966.db2.gz YXTUVAQUWAFGTE-PBHICJAKSA-N 2 1 331.366 1.795 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000877391611 597508442 /nfs/dbraw/zinc/50/84/42/597508442.db2.gz XGJHGBWSQXRHLN-CRAIPNDOSA-N 2 1 331.464 1.033 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)C1 ZINC000877447716 597516933 /nfs/dbraw/zinc/51/69/33/597516933.db2.gz AGTLYUBYEJBAQM-NXHRZFHOSA-N 2 1 337.508 1.853 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)C1 ZINC000877447716 597516935 /nfs/dbraw/zinc/51/69/35/597516935.db2.gz AGTLYUBYEJBAQM-NXHRZFHOSA-N 2 1 337.508 1.853 20 0 EDADMP CCN(C)c1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cn1 ZINC000877746604 597552580 /nfs/dbraw/zinc/55/25/80/597552580.db2.gz SPSSCAFBSGLXBR-UHFFFAOYSA-N 2 1 331.508 1.750 20 0 EDADMP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H](O)c1ccc(C)cc1 ZINC000878148383 597581904 /nfs/dbraw/zinc/58/19/04/597581904.db2.gz GRWLLRDVLHHOKJ-GOSISDBHSA-N 2 1 333.476 1.561 20 0 EDADMP CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H](O)c1ccc(C)cc1 ZINC000878148383 597581905 /nfs/dbraw/zinc/58/19/05/597581905.db2.gz GRWLLRDVLHHOKJ-GOSISDBHSA-N 2 1 333.476 1.561 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCC4(CCC4)O3)CC2)CC1 ZINC000878245777 597589597 /nfs/dbraw/zinc/58/95/97/597589597.db2.gz HEZGUFLVUZNRJQ-GOSISDBHSA-N 2 1 349.519 1.964 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)[C@H]1CCSC1 ZINC000881473862 597631274 /nfs/dbraw/zinc/63/12/74/597631274.db2.gz BHQOAWCRFIQVLH-CVEARBPZSA-N 2 1 341.521 1.183 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879570062 597635301 /nfs/dbraw/zinc/63/53/01/597635301.db2.gz WYPWFVNRLIYCDG-SCTDSRPQSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879570062 597635303 /nfs/dbraw/zinc/63/53/03/597635303.db2.gz WYPWFVNRLIYCDG-SCTDSRPQSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879570062 597635308 /nfs/dbraw/zinc/63/53/08/597635308.db2.gz WYPWFVNRLIYCDG-SCTDSRPQSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000879570062 597635309 /nfs/dbraw/zinc/63/53/09/597635309.db2.gz WYPWFVNRLIYCDG-SCTDSRPQSA-N 2 1 334.460 1.599 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000883116730 597656032 /nfs/dbraw/zinc/65/60/32/597656032.db2.gz CLYWJMKSZFHSEK-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000883116730 597656034 /nfs/dbraw/zinc/65/60/34/597656034.db2.gz CLYWJMKSZFHSEK-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000883116730 597656036 /nfs/dbraw/zinc/65/60/36/597656036.db2.gz CLYWJMKSZFHSEK-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000881634071 597666575 /nfs/dbraw/zinc/66/65/75/597666575.db2.gz UDHZHNVDMMPLKH-KRWDZBQOSA-N 2 1 346.475 1.621 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883436303 597745958 /nfs/dbraw/zinc/74/59/58/597745958.db2.gz PFZVLQMXPXTPQS-WBVHZDCISA-N 2 1 343.475 1.786 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000883616806 597830831 /nfs/dbraw/zinc/83/08/31/597830831.db2.gz TXAJBRNMHITSKY-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000883616806 597830835 /nfs/dbraw/zinc/83/08/35/597830835.db2.gz TXAJBRNMHITSKY-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883616806 597830837 /nfs/dbraw/zinc/83/08/37/597830837.db2.gz TXAJBRNMHITSKY-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP CC1([NH+]2CCCC2)CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000879203612 597848117 /nfs/dbraw/zinc/84/81/17/597848117.db2.gz QHSNFOXACMDKSJ-LJQANCHMSA-N 2 1 331.460 1.310 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884180091 598017016 /nfs/dbraw/zinc/01/70/16/598017016.db2.gz LXESGEPVQIUKKE-INIZCTEOSA-N 2 1 345.491 1.486 20 0 EDADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884197905 598024643 /nfs/dbraw/zinc/02/46/43/598024643.db2.gz IIJSYEICJPLRTP-CVEARBPZSA-N 2 1 343.475 1.786 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884306506 598060471 /nfs/dbraw/zinc/06/04/71/598060471.db2.gz GJNROCXANCWEDA-QGZVFWFLSA-N 2 1 345.443 1.483 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc([C@H](C)[NH3+])nn1 ZINC000881278508 598115909 /nfs/dbraw/zinc/11/59/09/598115909.db2.gz WVWFSGXOAJPYNW-LZWOXQAQSA-N 2 1 342.447 1.250 20 0 EDADMP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000914169525 695255590 /nfs/dbraw/zinc/25/55/90/695255590.db2.gz VJYAYYRYAMMDJS-SJORKVTESA-N 2 1 341.521 1.220 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000914384206 695381606 /nfs/dbraw/zinc/38/16/06/695381606.db2.gz PCOUAGVYLFPZID-SFHVURJKSA-N 2 1 330.476 1.902 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC001031260701 696067711 /nfs/dbraw/zinc/06/77/11/696067711.db2.gz SOXIGCJNFDQORP-CQSZACIVSA-N 2 1 329.435 1.954 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC001031260701 696067714 /nfs/dbraw/zinc/06/77/14/696067714.db2.gz SOXIGCJNFDQORP-CQSZACIVSA-N 2 1 329.435 1.954 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2cc(-n3ccnc3)ccn2)CCC[N@H+]1CCCO ZINC000994164080 696551476 /nfs/dbraw/zinc/55/14/76/696551476.db2.gz WIAUMKHZOQWBAU-ZBFHGGJFSA-N 2 1 343.431 1.232 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1CCc1ccnn1C ZINC000994252541 696648788 /nfs/dbraw/zinc/64/87/88/696648788.db2.gz MEPCHNYLNRGATK-RDJZCZTQSA-N 2 1 345.491 1.028 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000916362476 696655165 /nfs/dbraw/zinc/65/51/65/696655165.db2.gz SCVAWAYIBHEGPC-KKUMJFAQSA-N 2 1 328.526 1.596 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000916362476 696655167 /nfs/dbraw/zinc/65/51/67/696655167.db2.gz SCVAWAYIBHEGPC-KKUMJFAQSA-N 2 1 328.526 1.596 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000916362476 696655169 /nfs/dbraw/zinc/65/51/69/696655169.db2.gz SCVAWAYIBHEGPC-KKUMJFAQSA-N 2 1 328.526 1.596 20 0 EDADMP COc1cccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000940008467 700110347 /nfs/dbraw/zinc/11/03/47/700110347.db2.gz OBJNNZXBDFKZRU-MRXNPFEDSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CC2CCOCC2)[C@H]1C ZINC000994417836 696833498 /nfs/dbraw/zinc/83/34/98/696833498.db2.gz GBJCLLGTVJFOHK-WMLDXEAASA-N 2 1 334.464 1.587 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCOCC2)[C@H]1C ZINC000994417836 696833501 /nfs/dbraw/zinc/83/35/01/696833501.db2.gz GBJCLLGTVJFOHK-WMLDXEAASA-N 2 1 334.464 1.587 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000917570171 697040393 /nfs/dbraw/zinc/04/03/93/697040393.db2.gz GQIVFYYMLLLFJC-WBVHZDCISA-N 2 1 333.480 1.715 20 0 EDADMP CCN1CCO[C@H](C(=O)NC2CN(CC3CCC4(CC4)CC3)C2)C1 ZINC001031418994 697072638 /nfs/dbraw/zinc/07/26/38/697072638.db2.gz QRGWZRKHSQBRGY-KRWDZBQOSA-N 2 1 335.492 1.478 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000918121597 697133836 /nfs/dbraw/zinc/13/38/36/697133836.db2.gz PAOXHKNIUTZGDT-SJORKVTESA-N 2 1 338.496 1.367 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000919128358 697247149 /nfs/dbraw/zinc/24/71/49/697247149.db2.gz XQCFWWQHLJGMIB-PQUAAJSLSA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000919128358 697247151 /nfs/dbraw/zinc/24/71/51/697247151.db2.gz XQCFWWQHLJGMIB-PQUAAJSLSA-N 2 1 338.496 1.413 20 0 EDADMP COc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001031576697 697271878 /nfs/dbraw/zinc/27/18/78/697271878.db2.gz CXPYJLSEZNENBE-SFHVURJKSA-N 2 1 331.460 1.380 20 0 EDADMP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c1C ZINC001031584230 697279482 /nfs/dbraw/zinc/27/94/82/697279482.db2.gz AESYXNFGEZWXRI-KRWDZBQOSA-N 2 1 331.460 1.646 20 0 EDADMP CN(CC[N@@H+](C)CCOC1CCSCC1)C1CC[NH+](C)CC1 ZINC000930114513 697392317 /nfs/dbraw/zinc/39/23/17/697392317.db2.gz SIQCCXVLVWDZQN-UHFFFAOYSA-N 2 1 329.554 1.856 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001031667017 697447920 /nfs/dbraw/zinc/44/79/20/697447920.db2.gz VNPSOLSQSQVJBH-SFHVURJKSA-N 2 1 337.508 1.724 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccc(F)cc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675620 697485715 /nfs/dbraw/zinc/48/57/15/697485715.db2.gz OUJBXFSCSZGHNR-GOSISDBHSA-N 2 1 331.435 1.716 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@H]3CCC(F)(F)C3)C2)CC[N@H+]1C ZINC001031681182 697500717 /nfs/dbraw/zinc/50/07/17/697500717.db2.gz HLJURIDSESHXPI-VNHYZAJKSA-N 2 1 329.435 1.810 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2CN(Cc3ccnc(N(C)C)c3)C2)CC[N@H+]1C ZINC001031682532 697502142 /nfs/dbraw/zinc/50/21/42/697502142.db2.gz NTSCZIDCGUUCAL-RHSMWYFYSA-N 2 1 345.491 1.036 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccnc(N(C)C)c3)C2)CC[N@@H+]1C ZINC001031682532 697502143 /nfs/dbraw/zinc/50/21/43/697502143.db2.gz NTSCZIDCGUUCAL-RHSMWYFYSA-N 2 1 345.491 1.036 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccnc(N(C)C)c3)C2)CC[N@H+]1C ZINC001031682532 697502145 /nfs/dbraw/zinc/50/21/45/697502145.db2.gz NTSCZIDCGUUCAL-RHSMWYFYSA-N 2 1 345.491 1.036 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001031715611 697741745 /nfs/dbraw/zinc/74/17/45/697741745.db2.gz XKBMEHNZGAOEJN-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP CC[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727384 697954115 /nfs/dbraw/zinc/95/41/15/697954115.db2.gz FPUPQLQHXXZVJP-YJBOKZPZSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC[C@@H]3CCCO3)C2)C1 ZINC001031729357 698051788 /nfs/dbraw/zinc/05/17/88/698051788.db2.gz LJAWWBIKVFXSSG-MSOLQXFVSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1ncc(CN2CC(CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)cn1 ZINC001031729192 698082542 /nfs/dbraw/zinc/08/25/42/698082542.db2.gz HMLWKFWHNQPRKK-SFHVURJKSA-N 2 1 345.491 1.311 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943337622 698155697 /nfs/dbraw/zinc/15/56/97/698155697.db2.gz YUHJYRQPVKGFOG-MAUKXSAKSA-N 2 1 347.507 1.479 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ocnc2C)C1 ZINC000995038539 700226890 /nfs/dbraw/zinc/22/68/90/700226890.db2.gz QHSGQQQJQUPZKI-CABCVRRESA-N 2 1 331.420 1.563 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766501 699063293 /nfs/dbraw/zinc/06/32/93/699063293.db2.gz KAMAXBBHDQBPAT-QZTJIDSGSA-N 2 1 345.491 1.293 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766501 699063296 /nfs/dbraw/zinc/06/32/96/699063296.db2.gz KAMAXBBHDQBPAT-QZTJIDSGSA-N 2 1 345.491 1.293 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001031772035 699095930 /nfs/dbraw/zinc/09/59/30/699095930.db2.gz MEWIPOQUXLAWMS-GOSISDBHSA-N 2 1 331.460 1.598 20 0 EDADMP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000939055006 699115774 /nfs/dbraw/zinc/11/57/74/699115774.db2.gz RYHYPJHDBOGXNO-BBRMVZONSA-N 2 1 346.475 1.830 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939129553 699227019 /nfs/dbraw/zinc/22/70/19/699227019.db2.gz XTRFNCBSUMYVQE-WMLDXEAASA-N 2 1 348.466 1.889 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001031806650 699431338 /nfs/dbraw/zinc/43/13/38/699431338.db2.gz JFRGYXNMFPRBGH-ZWKOTPCHSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941604411 701593692 /nfs/dbraw/zinc/59/36/92/701593692.db2.gz YXQOXXXXDOOCMZ-HKUYNNGSSA-N 2 1 348.535 1.488 20 0 EDADMP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccccc1 ZINC000939319157 699497513 /nfs/dbraw/zinc/49/75/13/699497513.db2.gz GBUMRUMJQABZCZ-FUHWJXTLSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]CC1CCCCC1 ZINC000939316948 699507129 /nfs/dbraw/zinc/50/71/29/699507129.db2.gz UUQTYIGMRUTEKY-WMZOPIPTSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)no1 ZINC000939386698 699539465 /nfs/dbraw/zinc/53/94/65/699539465.db2.gz DBIPHCWSFSTYEC-YOEHRIQHSA-N 2 1 334.464 1.651 20 0 EDADMP CCn1cc(CC[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)cn1 ZINC000939757021 699923772 /nfs/dbraw/zinc/92/37/72/699923772.db2.gz WSKYXHMNFICTLJ-YOEHRIQHSA-N 2 1 344.463 1.087 20 0 EDADMP Cc1nc(CC[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)cs1 ZINC000939756999 699923817 /nfs/dbraw/zinc/92/38/17/699923817.db2.gz WJPUQZOGMWINAL-LRDDRELGSA-N 2 1 347.488 1.636 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCN(C2C[NH+](CCC(C)C)C2)CC1 ZINC000941668019 701622081 /nfs/dbraw/zinc/62/20/81/701622081.db2.gz BOWQOVLFOKYZDL-UHFFFAOYSA-N 2 1 333.480 1.066 20 0 EDADMP CC1([NH2+]Cc2cncs2)CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC000940144782 700274824 /nfs/dbraw/zinc/27/48/24/700274824.db2.gz NOFVXRIFKCIQKR-UHFFFAOYSA-N 2 1 333.461 1.970 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cncc(C)c2)C1 ZINC000995042141 700277243 /nfs/dbraw/zinc/27/72/43/700277243.db2.gz ZHJRZQMKLQUQKZ-SJLPKXTDSA-N 2 1 341.459 1.970 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000940154285 700284749 /nfs/dbraw/zinc/28/47/49/700284749.db2.gz UHOFDNBQPYPUOO-UHFFFAOYSA-N 2 1 335.452 1.333 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000940154285 700284754 /nfs/dbraw/zinc/28/47/54/700284754.db2.gz UHOFDNBQPYPUOO-UHFFFAOYSA-N 2 1 335.452 1.333 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940159087 700291321 /nfs/dbraw/zinc/29/13/21/700291321.db2.gz AJXIIFHJFDCLIR-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000940178138 700311852 /nfs/dbraw/zinc/31/18/52/700311852.db2.gz CPNMVPYBWYUFSG-AWEZNQCLSA-N 2 1 349.479 1.587 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000940178138 700311853 /nfs/dbraw/zinc/31/18/53/700311853.db2.gz CPNMVPYBWYUFSG-AWEZNQCLSA-N 2 1 349.479 1.587 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000940214369 700354377 /nfs/dbraw/zinc/35/43/77/700354377.db2.gz JHIORTHLUCVGHC-VQIMIIECSA-N 2 1 346.475 1.589 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940328383 700506573 /nfs/dbraw/zinc/50/65/73/700506573.db2.gz IISDVJWMMUMUNO-OAHLLOKOSA-N 2 1 331.464 1.432 20 0 EDADMP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000940329665 700509190 /nfs/dbraw/zinc/50/91/90/700509190.db2.gz WIJLAIBZQSNQDN-AWEZNQCLSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3cccnc3)CC2)C1 ZINC000940329516 700509196 /nfs/dbraw/zinc/50/91/96/700509196.db2.gz UYAPHQKMHCJWHM-INIZCTEOSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940371011 700553235 /nfs/dbraw/zinc/55/32/35/700553235.db2.gz GRISUDOBTRZUJI-HNNXBMFYSA-N 2 1 348.491 1.986 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)nc1 ZINC000940426221 700619722 /nfs/dbraw/zinc/61/97/22/700619722.db2.gz KLCRSNSKFCCREG-MRXNPFEDSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)CC1(C)C ZINC000940892425 700967466 /nfs/dbraw/zinc/96/74/66/700967466.db2.gz CPGCIGUBNGUBHA-DLBZAZTESA-N 2 1 348.491 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC1(C)C ZINC000940892425 700967468 /nfs/dbraw/zinc/96/74/68/700967468.db2.gz CPGCIGUBNGUBHA-DLBZAZTESA-N 2 1 348.491 1.835 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940945174 701010771 /nfs/dbraw/zinc/01/07/71/701010771.db2.gz XSSAUKVKQNTXAW-OAHLLOKOSA-N 2 1 325.497 1.724 20 0 EDADMP CC1(C)C[N@@H+](C[C@@H]2CCCOC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166986 701377898 /nfs/dbraw/zinc/37/78/98/701377898.db2.gz NVFRHQOIYRCINN-IRXDYDNUSA-N 2 1 349.519 1.726 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1C[NH+](CC[C@H]3CCOC3)C1)CC2 ZINC001031932075 701381602 /nfs/dbraw/zinc/38/16/02/701381602.db2.gz SBWOWQOWMYKHRG-RDJZCZTQSA-N 2 1 346.475 1.229 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)o1 ZINC000941215691 701402053 /nfs/dbraw/zinc/40/20/53/701402053.db2.gz AAEBMJNSGMZBKS-HOCLYGCPSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941215691 701402054 /nfs/dbraw/zinc/40/20/54/701402054.db2.gz AAEBMJNSGMZBKS-HOCLYGCPSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)CC1(C)C ZINC000941224755 701414833 /nfs/dbraw/zinc/41/48/33/701414833.db2.gz YPWIIFMZXXGWMH-IAGOWNOFSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)CC1(C)C ZINC000941224755 701414834 /nfs/dbraw/zinc/41/48/34/701414834.db2.gz YPWIIFMZXXGWMH-IAGOWNOFSA-N 2 1 348.491 1.835 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCC3CC3)C2)CC1 ZINC000941460037 701544170 /nfs/dbraw/zinc/54/41/70/701544170.db2.gz MLHBXJUENHUJHD-GOSISDBHSA-N 2 1 334.508 1.099 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1C[NH+](C[C@H]3CCCOC3)C1)C2 ZINC001031975751 701888877 /nfs/dbraw/zinc/88/88/77/701888877.db2.gz ZEXRBVHRNSTZHJ-WBVHZDCISA-N 2 1 346.475 1.229 20 0 EDADMP Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189843 706632120 /nfs/dbraw/zinc/63/21/20/706632120.db2.gz NOBVNIGUGJFPES-IXDOHACOSA-N 2 1 330.476 1.811 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001031977128 702011504 /nfs/dbraw/zinc/01/15/04/702011504.db2.gz WZRDPTZGRJRUTI-QRWLVFNGSA-N 2 1 341.499 1.921 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(Cc2cc(C)ns2)C1 ZINC001032205539 702063469 /nfs/dbraw/zinc/06/34/69/702063469.db2.gz BBMQKNCDROKLKK-MRXNPFEDSA-N 2 1 336.505 1.874 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1nncs1 ZINC000995824280 702095384 /nfs/dbraw/zinc/09/53/84/702095384.db2.gz ODMOBDDHOROQGQ-ZIAGYGMSSA-N 2 1 349.504 1.207 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995826646 702099929 /nfs/dbraw/zinc/09/99/29/702099929.db2.gz RBLIWPCHVOBWIR-UMVBOHGHSA-N 2 1 335.452 1.045 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995826646 702099934 /nfs/dbraw/zinc/09/99/34/702099934.db2.gz RBLIWPCHVOBWIR-UMVBOHGHSA-N 2 1 335.452 1.045 20 0 EDADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995835413 702112370 /nfs/dbraw/zinc/11/23/70/702112370.db2.gz XCYXERFUDWGTLC-BFYDXBDKSA-N 2 1 345.491 1.452 20 0 EDADMP CN(C)c1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032182536 702202405 /nfs/dbraw/zinc/20/24/05/702202405.db2.gz MXUHHAGIUTXMSP-QGZVFWFLSA-N 2 1 330.476 1.252 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995920180 702241627 /nfs/dbraw/zinc/24/16/27/702241627.db2.gz TVABWCCVYJLSQF-HNNXBMFYSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995920180 702241629 /nfs/dbraw/zinc/24/16/29/702241629.db2.gz TVABWCCVYJLSQF-HNNXBMFYSA-N 2 1 348.495 1.109 20 0 EDADMP Cn1nccc1C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995916086 702276476 /nfs/dbraw/zinc/27/64/76/702276476.db2.gz IFYUWQOSHSZDSD-INIZCTEOSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1cccc(OCC[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001032185613 702302723 /nfs/dbraw/zinc/30/27/23/702302723.db2.gz AKAZPNZNVWQODD-QGZVFWFLSA-N 2 1 331.460 1.374 20 0 EDADMP CO[C@H](C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1 ZINC001032186222 702318680 /nfs/dbraw/zinc/31/86/80/702318680.db2.gz LGROXLGJZJHYJN-ZWKOTPCHSA-N 2 1 331.460 1.374 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cncc(C)c2)C1 ZINC000995191826 702328839 /nfs/dbraw/zinc/32/88/39/702328839.db2.gz AWACOVJZURYUJZ-SJLPKXTDSA-N 2 1 341.459 1.970 20 0 EDADMP Cc1cnc(CN[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)nc1 ZINC000995975744 702332080 /nfs/dbraw/zinc/33/20/80/702332080.db2.gz JNXFFOHTXMMUBU-JKSUJKDBSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(CN[C@@H]2CN(C(=O)[C@@H]3CCCCN3C)CC2(C)C)nc1 ZINC000995975744 702332089 /nfs/dbraw/zinc/33/20/89/702332089.db2.gz JNXFFOHTXMMUBU-JKSUJKDBSA-N 2 1 345.491 1.596 20 0 EDADMP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000995973896 702357932 /nfs/dbraw/zinc/35/79/32/702357932.db2.gz GEJNPWYKLCSOSU-KBPBESRZSA-N 2 1 336.505 1.954 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000995973896 702357936 /nfs/dbraw/zinc/35/79/36/702357936.db2.gz GEJNPWYKLCSOSU-KBPBESRZSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccns2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944167271 702404865 /nfs/dbraw/zinc/40/48/65/702404865.db2.gz CDBAZZOXQGWIGU-ZFWWWQNUSA-N 2 1 334.489 1.566 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)c(C)o1 ZINC000944167825 702406938 /nfs/dbraw/zinc/40/69/38/702406938.db2.gz FYZSDQWRNVHQBE-BBRMVZONSA-N 2 1 346.475 1.714 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)c(C)o1 ZINC000944167825 702406941 /nfs/dbraw/zinc/40/69/41/702406941.db2.gz FYZSDQWRNVHQBE-BBRMVZONSA-N 2 1 346.475 1.714 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944168217 702407916 /nfs/dbraw/zinc/40/79/16/702407916.db2.gz HQRSQFRPFXNARD-UKRRQHHQSA-N 2 1 341.446 1.954 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)s1 ZINC000944169066 702410042 /nfs/dbraw/zinc/41/00/42/702410042.db2.gz LOLVOERPDWOADV-HIFRSBDPSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)s1 ZINC000944169066 702410045 /nfs/dbraw/zinc/41/00/45/702410045.db2.gz LOLVOERPDWOADV-HIFRSBDPSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944156689 702452461 /nfs/dbraw/zinc/45/24/61/702452461.db2.gz VORHLBDKSAJLKG-GUYCJALGSA-N 2 1 346.475 1.714 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CC1CC1 ZINC000996072565 702484628 /nfs/dbraw/zinc/48/46/28/702484628.db2.gz QEZARLBCSBPTOD-IOSXPMGOSA-N 2 1 333.476 1.086 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CC3CCC3)C(C)(C)C2)C1 ZINC000996186705 702590902 /nfs/dbraw/zinc/59/09/02/702590902.db2.gz IXOKSRGFWKLLSN-IRXDYDNUSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CC3CCC3)C(C)(C)C2)C1 ZINC000996186705 702590906 /nfs/dbraw/zinc/59/09/06/702590906.db2.gz IXOKSRGFWKLLSN-IRXDYDNUSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942098781 702592953 /nfs/dbraw/zinc/59/29/53/702592953.db2.gz ASKKPLPEHVMFSF-GXTWGEPZSA-N 2 1 325.478 1.242 20 0 EDADMP Cc1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)s1 ZINC000995203297 702599364 /nfs/dbraw/zinc/59/93/64/702599364.db2.gz XCSAYKXENBPDNN-KGLIPLIRSA-N 2 1 348.476 1.426 20 0 EDADMP CCc1noc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995209269 702674713 /nfs/dbraw/zinc/67/47/13/702674713.db2.gz JHYXLPQVMCOLJW-ZIAGYGMSSA-N 2 1 335.452 1.102 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cnns3)C(C)(C)C2)C1 ZINC000996299828 702690654 /nfs/dbraw/zinc/69/06/54/702690654.db2.gz DWSHGEIQNRWLAH-TZMCWYRMSA-N 2 1 337.493 1.207 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)cn1 ZINC000996300043 702691204 /nfs/dbraw/zinc/69/12/04/702691204.db2.gz JDHOURLQQXTKTB-RHSMWYFYSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCC2)CC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942207124 702712630 /nfs/dbraw/zinc/71/26/30/702712630.db2.gz JPUAGXFBEYYWMM-CJNGLKHVSA-N 2 1 334.464 1.977 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CCC2)CC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942207124 702712632 /nfs/dbraw/zinc/71/26/32/702712632.db2.gz JPUAGXFBEYYWMM-CJNGLKHVSA-N 2 1 334.464 1.977 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256822 702747959 /nfs/dbraw/zinc/74/79/59/702747959.db2.gz HNYDTYILRGPCIX-RDJZCZTQSA-N 2 1 345.491 1.375 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)co1 ZINC000996463568 702791293 /nfs/dbraw/zinc/79/12/93/702791293.db2.gz IANKSGTUDUEPCG-QGZVFWFLSA-N 2 1 334.464 1.936 20 0 EDADMP Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996475600 702807906 /nfs/dbraw/zinc/80/79/06/702807906.db2.gz CLWAHCLMLJYMEJ-WBVHZDCISA-N 2 1 345.491 1.375 20 0 EDADMP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996500573 702839389 /nfs/dbraw/zinc/83/93/89/702839389.db2.gz GXZKAFIALZQRGG-DOTOQJQBSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CCc2ccns2)C(C)(C)C1 ZINC000996610324 702915457 /nfs/dbraw/zinc/91/54/57/702915457.db2.gz IHMFZCDAHWDTJY-HNNXBMFYSA-N 2 1 347.488 1.717 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC000996609558 702920712 /nfs/dbraw/zinc/92/07/12/702920712.db2.gz HUIGZEVAYQKXAZ-HNNXBMFYSA-N 2 1 331.420 1.515 20 0 EDADMP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000996610060 702921102 /nfs/dbraw/zinc/92/11/02/702921102.db2.gz XYHAJEKFCMCJAE-VSVYTNTFSA-N 2 1 337.508 1.722 20 0 EDADMP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996616445 702923371 /nfs/dbraw/zinc/92/33/71/702923371.db2.gz SBGGSBRPVIJGNN-RDJZCZTQSA-N 2 1 330.476 1.668 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CC3CCCC3)C(C)(C)C2)C1 ZINC000996643351 702945922 /nfs/dbraw/zinc/94/59/22/702945922.db2.gz JKVYTBGAIWEGHS-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CC3CCCC3)C(C)(C)C2)C1 ZINC000996643351 702945925 /nfs/dbraw/zinc/94/59/25/702945925.db2.gz JKVYTBGAIWEGHS-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)cn1 ZINC000996664066 702962344 /nfs/dbraw/zinc/96/23/44/702962344.db2.gz DJMPYBNHZFDDDP-UHFFFAOYSA-N 2 1 346.475 1.655 20 0 EDADMP CC[C@@H]([NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1)C(N)=O ZINC000996667391 702964470 /nfs/dbraw/zinc/96/44/70/702964470.db2.gz AXLTZJYYVKEQJF-HZPDHXFCSA-N 2 1 338.496 1.094 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCOc1ccccc1 ZINC001032315308 702968802 /nfs/dbraw/zinc/96/88/02/702968802.db2.gz ICYZZTDEEXMUIY-XYJFISCASA-N 2 1 329.444 1.445 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000996674210 702969458 /nfs/dbraw/zinc/96/94/58/702969458.db2.gz UEYKWVCTHMYBKK-HZPDHXFCSA-N 2 1 348.495 1.016 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000996674210 702969460 /nfs/dbraw/zinc/96/94/60/702969460.db2.gz UEYKWVCTHMYBKK-HZPDHXFCSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)[nH]1 ZINC000996670140 702971630 /nfs/dbraw/zinc/97/16/30/702971630.db2.gz VBAJLPQLHVZWKU-MRXNPFEDSA-N 2 1 348.495 1.457 20 0 EDADMP Cc1nccnc1C[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000996672398 702973359 /nfs/dbraw/zinc/97/33/59/702973359.db2.gz MUMNCZZDMPPDJZ-UHFFFAOYSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000996688293 702985670 /nfs/dbraw/zinc/98/56/70/702985670.db2.gz HSPQESCVDIRWIX-OAHLLOKOSA-N 2 1 335.452 1.333 20 0 EDADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996715376 703010231 /nfs/dbraw/zinc/01/02/31/703010231.db2.gz FSZKRBRFUFTCDG-ZBFHGGJFSA-N 2 1 349.504 1.636 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2nccnc2C)C[C@H]1C ZINC000942517990 703011966 /nfs/dbraw/zinc/01/19/66/703011966.db2.gz KGUGGILIWVWEMA-CZUORRHYSA-N 2 1 342.447 1.317 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2nccnc2C)C[C@H]1C ZINC000942517990 703011969 /nfs/dbraw/zinc/01/19/69/703011969.db2.gz KGUGGILIWVWEMA-CZUORRHYSA-N 2 1 342.447 1.317 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCC(F)(F)F)C[C@@H]1C ZINC000942518548 703020258 /nfs/dbraw/zinc/02/02/58/703020258.db2.gz TUUALSBCGBHXIT-AAEUAGOBSA-N 2 1 332.370 1.971 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCC(F)(F)F)C[C@@H]1C ZINC000942518548 703020261 /nfs/dbraw/zinc/02/02/61/703020261.db2.gz TUUALSBCGBHXIT-AAEUAGOBSA-N 2 1 332.370 1.971 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+][C@H](C)c2ncccn2)CC1 ZINC000996800641 703086705 /nfs/dbraw/zinc/08/67/05/703086705.db2.gz HCUZWNJHANBMQO-CQSZACIVSA-N 2 1 328.420 1.323 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000996798332 703090441 /nfs/dbraw/zinc/09/04/41/703090441.db2.gz MKZNZBYORWLNBO-UHFFFAOYSA-N 2 1 331.395 1.506 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000942597736 703112308 /nfs/dbraw/zinc/11/23/08/703112308.db2.gz NACJRKDVORXPEG-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000942597736 703112309 /nfs/dbraw/zinc/11/23/09/703112309.db2.gz NACJRKDVORXPEG-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597753 703112525 /nfs/dbraw/zinc/11/25/25/703112525.db2.gz NHOGNSHIAKCANN-SUMWQHHRSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cccnc2)CC1 ZINC000996976909 703241951 /nfs/dbraw/zinc/24/19/51/703241951.db2.gz DTGGTWWWCQMURX-QAPCUYQASA-N 2 1 330.476 1.893 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032043610 703249925 /nfs/dbraw/zinc/24/99/25/703249925.db2.gz JUIMYIMYANMBTH-ROUUACIJSA-N 2 1 345.491 1.293 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032043610 703249926 /nfs/dbraw/zinc/24/99/26/703249926.db2.gz JUIMYIMYANMBTH-ROUUACIJSA-N 2 1 345.491 1.293 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000996993867 703250361 /nfs/dbraw/zinc/25/03/61/703250361.db2.gz GOESQDFTFWHSJH-AWEZNQCLSA-N 2 1 349.479 1.758 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000996993867 703250362 /nfs/dbraw/zinc/25/03/62/703250362.db2.gz GOESQDFTFWHSJH-AWEZNQCLSA-N 2 1 349.479 1.758 20 0 EDADMP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000996996932 703260580 /nfs/dbraw/zinc/26/05/80/703260580.db2.gz ARBVJTNUSYKZMB-CQSZACIVSA-N 2 1 348.491 1.968 20 0 EDADMP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997009228 703269718 /nfs/dbraw/zinc/26/97/18/703269718.db2.gz YUOIMYPCVFTNTA-CQSZACIVSA-N 2 1 348.495 1.029 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000997012542 703272431 /nfs/dbraw/zinc/27/24/31/703272431.db2.gz XRQQEMPDULLUBB-WMLDXEAASA-N 2 1 346.475 1.369 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)o1 ZINC000997060548 703305524 /nfs/dbraw/zinc/30/55/24/703305524.db2.gz HIJUGKULEXHXSP-INIZCTEOSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)o1 ZINC000997060548 703305525 /nfs/dbraw/zinc/30/55/25/703305525.db2.gz HIJUGKULEXHXSP-INIZCTEOSA-N 2 1 349.479 1.722 20 0 EDADMP CC[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1)C(N)=O ZINC000997063964 703308823 /nfs/dbraw/zinc/30/88/23/703308823.db2.gz RWSYWMSSRKYGFU-HOTGVXAUSA-N 2 1 338.496 1.094 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821683 703330319 /nfs/dbraw/zinc/33/03/19/703330319.db2.gz GDCCWVBOVYDCSF-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[NH+](Cc2cnn(C)c2)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821683 703330321 /nfs/dbraw/zinc/33/03/21/703330321.db2.gz GDCCWVBOVYDCSF-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[NH+](Cc2cnn(C)c2)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821683 703330324 /nfs/dbraw/zinc/33/03/24/703330324.db2.gz GDCCWVBOVYDCSF-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCOCC2)CC[N@H+]1C ZINC001032414006 703466017 /nfs/dbraw/zinc/46/60/17/703466017.db2.gz YAWQQVQYDNUFLK-CADBVGFASA-N 2 1 349.519 1.819 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCOCC2)CC[NH+]1C ZINC001032414006 703466019 /nfs/dbraw/zinc/46/60/19/703466019.db2.gz YAWQQVQYDNUFLK-CADBVGFASA-N 2 1 349.519 1.819 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCOCC2)CC[NH+]1C ZINC001032414006 703466020 /nfs/dbraw/zinc/46/60/20/703466020.db2.gz YAWQQVQYDNUFLK-CADBVGFASA-N 2 1 349.519 1.819 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997181983 703466855 /nfs/dbraw/zinc/46/68/55/703466855.db2.gz FJNQQZIEUTZNGF-TZMCWYRMSA-N 2 1 334.468 1.097 20 0 EDADMP CC(C)[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997228089 703503756 /nfs/dbraw/zinc/50/37/56/703503756.db2.gz FXVKXAQLSOQPGD-RXHUYCNISA-N 2 1 335.492 1.475 20 0 EDADMP CCn1ccnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997360655 703591152 /nfs/dbraw/zinc/59/11/52/703591152.db2.gz QFKYCBXPISGYHD-IYBDPMFKSA-N 2 1 347.507 1.856 20 0 EDADMP CCc1nc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)no1 ZINC000997365828 703599497 /nfs/dbraw/zinc/59/94/97/703599497.db2.gz VMDBIHMICYBFCL-UHFFFAOYSA-N 2 1 349.479 1.589 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)c1ccccc1)C1CC1 ZINC001032445459 703614510 /nfs/dbraw/zinc/61/45/10/703614510.db2.gz HCKSARQGOLUVPN-INDMIFKZSA-N 2 1 343.471 1.345 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)c1ccccc1)C1CC1 ZINC001032445459 703614511 /nfs/dbraw/zinc/61/45/11/703614511.db2.gz HCKSARQGOLUVPN-INDMIFKZSA-N 2 1 343.471 1.345 20 0 EDADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccccc2)CCC1 ZINC001032442611 703618754 /nfs/dbraw/zinc/61/87/54/703618754.db2.gz AJSRRZJBBUNUCY-ROUUACIJSA-N 2 1 327.472 1.999 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000997422277 703670848 /nfs/dbraw/zinc/67/08/48/703670848.db2.gz VMTWTIOXBGFJQS-ZBFHGGJFSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000997422277 703670849 /nfs/dbraw/zinc/67/08/49/703670849.db2.gz VMTWTIOXBGFJQS-ZBFHGGJFSA-N 2 1 334.464 1.651 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](CCCF)CC2)C1 ZINC000997431568 703673453 /nfs/dbraw/zinc/67/34/53/703673453.db2.gz OPMWBXSEEHNPRL-GDBMZVCRSA-N 2 1 329.460 1.283 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](CCCF)CC2)C1 ZINC000997431568 703673454 /nfs/dbraw/zinc/67/34/54/703673454.db2.gz OPMWBXSEEHNPRL-GDBMZVCRSA-N 2 1 329.460 1.283 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)co1 ZINC000997513942 703762445 /nfs/dbraw/zinc/76/24/45/703762445.db2.gz AIPSTIUBGYVXJE-GUYCJALGSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)co1 ZINC000997513942 703762446 /nfs/dbraw/zinc/76/24/46/703762446.db2.gz AIPSTIUBGYVXJE-GUYCJALGSA-N 2 1 334.464 1.794 20 0 EDADMP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032500705 703818886 /nfs/dbraw/zinc/81/88/86/703818886.db2.gz CPBTYYUUQSSQHE-COXVUDFISA-N 2 1 326.400 1.270 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)ccn1 ZINC000995550071 703928033 /nfs/dbraw/zinc/92/80/33/703928033.db2.gz HKVHKDQWPFRAIO-JKSUJKDBSA-N 2 1 346.475 1.511 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(C)no2)CC1 ZINC001004201910 703932045 /nfs/dbraw/zinc/93/20/45/703932045.db2.gz SMXFWUYEQKMCLG-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(C)no2)CC1 ZINC001004201910 703932049 /nfs/dbraw/zinc/93/20/49/703932049.db2.gz SMXFWUYEQKMCLG-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1 ZINC000995549877 703933766 /nfs/dbraw/zinc/93/37/66/703933766.db2.gz GDLFZWXBVQPFBK-HOTGVXAUSA-N 2 1 334.439 1.642 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922533136 703933812 /nfs/dbraw/zinc/93/38/12/703933812.db2.gz LDLMGPMFUKHSGX-RBSFLKMASA-N 2 1 328.526 1.594 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922533136 703933815 /nfs/dbraw/zinc/93/38/15/703933815.db2.gz LDLMGPMFUKHSGX-RBSFLKMASA-N 2 1 328.526 1.594 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000922533136 703933819 /nfs/dbraw/zinc/93/38/19/703933819.db2.gz LDLMGPMFUKHSGX-RBSFLKMASA-N 2 1 328.526 1.594 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033076805 704125769 /nfs/dbraw/zinc/12/57/69/704125769.db2.gz PJDUSNIHEAOSIP-JKSUJKDBSA-N 2 1 325.497 1.819 20 0 EDADMP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCF)C1 ZINC001033091074 704165533 /nfs/dbraw/zinc/16/55/33/704165533.db2.gz JWIPCKAUMPZRIF-ZACQAIPSSA-N 2 1 341.471 1.236 20 0 EDADMP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033091074 704165534 /nfs/dbraw/zinc/16/55/34/704165534.db2.gz JWIPCKAUMPZRIF-ZACQAIPSSA-N 2 1 341.471 1.236 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)on2)C1 ZINC000999300828 706803196 /nfs/dbraw/zinc/80/31/96/706803196.db2.gz BEDROGZZFNKPMV-RDJZCZTQSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)on2)C1 ZINC000999300828 706803198 /nfs/dbraw/zinc/80/31/98/706803198.db2.gz BEDROGZZFNKPMV-RDJZCZTQSA-N 2 1 334.464 1.938 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](C[C@@H](C)O)C[C@H]3CC2)CC[N@H+]1C ZINC000946597669 704292556 /nfs/dbraw/zinc/29/25/56/704292556.db2.gz FGFSIGLSENZPLS-DFBDCSAJSA-N 2 1 337.508 1.268 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](C)O)C[C@H]3CC2)CC[NH+]1C ZINC000946597669 704292558 /nfs/dbraw/zinc/29/25/58/704292558.db2.gz FGFSIGLSENZPLS-DFBDCSAJSA-N 2 1 337.508 1.268 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](C[C@@H](C)O)C[C@H]3CC2)CC[NH+]1C ZINC000946597669 704292561 /nfs/dbraw/zinc/29/25/61/704292561.db2.gz FGFSIGLSENZPLS-DFBDCSAJSA-N 2 1 337.508 1.268 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000999302937 706806316 /nfs/dbraw/zinc/80/63/16/706806316.db2.gz GSODRPCPZREKPV-WBVHZDCISA-N 2 1 333.480 1.375 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC000999302932 706806415 /nfs/dbraw/zinc/80/64/15/706806415.db2.gz GSODRPCPZREKPV-RDJZCZTQSA-N 2 1 333.480 1.375 20 0 EDADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004440242 704422608 /nfs/dbraw/zinc/42/26/08/704422608.db2.gz YKROIEAWLGJXMV-ZWKOTPCHSA-N 2 1 335.492 1.024 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC3CC(C)(C)C3)C(C)(C)C2)C1 ZINC000995606478 704569928 /nfs/dbraw/zinc/56/99/28/704569928.db2.gz PGLBKTKAVRBMJH-JKSUJKDBSA-N 2 1 337.508 1.580 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC3CC(C)(C)C3)C(C)(C)C2)C1 ZINC000995606478 704569929 /nfs/dbraw/zinc/56/99/29/704569929.db2.gz PGLBKTKAVRBMJH-JKSUJKDBSA-N 2 1 337.508 1.580 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)n2)CC1 ZINC000997819430 704740583 /nfs/dbraw/zinc/74/05/83/704740583.db2.gz DCSWTENSDPVFMW-KRWDZBQOSA-N 2 1 348.495 1.018 20 0 EDADMP Cn1nccc1C[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000997830267 704749204 /nfs/dbraw/zinc/74/92/04/704749204.db2.gz GSWPKCIVKPRGIT-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1C[N@@H+](CCC2CCOCC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918980 704770397 /nfs/dbraw/zinc/77/03/97/704770397.db2.gz LXIAHQYFDOQLKL-FUHWJXTLSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997860894 704771181 /nfs/dbraw/zinc/77/11/81/704771181.db2.gz NWSSGLKLMQYCGM-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000997861829 704772149 /nfs/dbraw/zinc/77/21/49/704772149.db2.gz VMTWTIOXBGFJQS-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000997861829 704772150 /nfs/dbraw/zinc/77/21/50/704772150.db2.gz VMTWTIOXBGFJQS-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)ncn1 ZINC000944920834 704773228 /nfs/dbraw/zinc/77/32/28/704773228.db2.gz WMPDRVDOAMAHOE-YOEHRIQHSA-N 2 1 331.464 1.207 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)cn1 ZINC000944945226 704798308 /nfs/dbraw/zinc/79/83/08/704798308.db2.gz QDINOOWHADVKHS-RDJZCZTQSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+][C@@H](C)c2cnccn2)CC1 ZINC000997917032 704978361 /nfs/dbraw/zinc/97/83/61/704978361.db2.gz YXJQMRNQQSKZSD-HNNXBMFYSA-N 2 1 342.447 1.571 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000998009821 705179828 /nfs/dbraw/zinc/17/98/28/705179828.db2.gz ZCYLABYPGAXAEH-MSOLQXFVSA-N 2 1 337.508 1.414 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CCC[N@@H+](CC)CC1 ZINC000998067456 705280293 /nfs/dbraw/zinc/28/02/93/705280293.db2.gz USFRAZVFILKJHB-VIHIWDAPSA-N 2 1 335.492 1.573 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CCC[NH+](CC)CC1 ZINC000998067456 705280297 /nfs/dbraw/zinc/28/02/97/705280297.db2.gz USFRAZVFILKJHB-VIHIWDAPSA-N 2 1 335.492 1.573 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CCC[NH+](CC)CC1 ZINC000998067456 705280300 /nfs/dbraw/zinc/28/03/00/705280300.db2.gz USFRAZVFILKJHB-VIHIWDAPSA-N 2 1 335.492 1.573 20 0 EDADMP Cc1cccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000998083043 705311937 /nfs/dbraw/zinc/31/19/37/705311937.db2.gz UEGIHCSEPVJZSJ-SJLPKXTDSA-N 2 1 344.503 1.916 20 0 EDADMP Cc1nccnc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000998083571 705312397 /nfs/dbraw/zinc/31/23/97/705312397.db2.gz WGBRHGZTDSVOLO-HNNXBMFYSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1ccnc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000998083520 705312638 /nfs/dbraw/zinc/31/26/38/705312638.db2.gz VTMXCCRAPFKCHN-INIZCTEOSA-N 2 1 345.491 1.598 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000998084077 705313763 /nfs/dbraw/zinc/31/37/63/705313763.db2.gz YZJLZNQMURNKNF-YJBOKZPZSA-N 2 1 330.476 1.608 20 0 EDADMP CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998092822 705330250 /nfs/dbraw/zinc/33/02/50/705330250.db2.gz GEYJDQWXNDNRPM-IRXDYDNUSA-N 2 1 348.491 1.449 20 0 EDADMP CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998092822 705330256 /nfs/dbraw/zinc/33/02/56/705330256.db2.gz GEYJDQWXNDNRPM-IRXDYDNUSA-N 2 1 348.491 1.449 20 0 EDADMP CCc1nocc1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998215641 705536928 /nfs/dbraw/zinc/53/69/28/705536928.db2.gz CWPRMBPOEURZGY-INIZCTEOSA-N 2 1 348.491 1.907 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCOCC2)C1 ZINC001032627673 705736911 /nfs/dbraw/zinc/73/69/11/705736911.db2.gz DWKYGZPVZVZILS-WDSOQIARSA-N 2 1 349.519 1.820 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC2CCOCC2)C1 ZINC001032627673 705736913 /nfs/dbraw/zinc/73/69/13/705736913.db2.gz DWKYGZPVZVZILS-WDSOQIARSA-N 2 1 349.519 1.820 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCOCC2)C1 ZINC001032627673 705736915 /nfs/dbraw/zinc/73/69/15/705736915.db2.gz DWKYGZPVZVZILS-WDSOQIARSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1cncc(CN2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CCC(C)(C)C2)c1 ZINC001032629749 705758207 /nfs/dbraw/zinc/75/82/07/705758207.db2.gz JSZKWWWQFWDSRP-ROUUACIJSA-N 2 1 342.487 1.907 20 0 EDADMP CN(C)c1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998550866 705987421 /nfs/dbraw/zinc/98/74/21/705987421.db2.gz PMMOYHKPIWGGMW-FAFZWHIHSA-N 2 1 344.503 1.926 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)nc2)C1 ZINC000998865631 706295194 /nfs/dbraw/zinc/29/51/94/706295194.db2.gz FUEPGCQYEBSFOB-DAWZGUTISA-N 2 1 345.491 1.738 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000998900775 706337374 /nfs/dbraw/zinc/33/73/74/706337374.db2.gz HEKRWDTTXNODHI-ARWYELJZSA-N 2 1 348.495 1.157 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000998900775 706337377 /nfs/dbraw/zinc/33/73/77/706337377.db2.gz HEKRWDTTXNODHI-ARWYELJZSA-N 2 1 348.495 1.157 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnnn2C)C1 ZINC000999035167 706450017 /nfs/dbraw/zinc/45/00/17/706450017.db2.gz IWKAFBUDVLVFAM-DQPZFDDXSA-N 2 1 348.495 1.015 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]Cc2nncs2)C1 ZINC000999050887 706471822 /nfs/dbraw/zinc/47/18/22/706471822.db2.gz NXJHUGPYGAXELI-UHFFFAOYSA-N 2 1 335.477 1.246 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2cn(C)nc2C)C1 ZINC000999127854 706529509 /nfs/dbraw/zinc/52/95/09/706529509.db2.gz VWYCBQXDDNYQAE-UHFFFAOYSA-N 2 1 330.436 1.013 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+][C@@H](C)c2cnccn2)C1 ZINC000999125137 706549699 /nfs/dbraw/zinc/54/96/99/706549699.db2.gz HHKVOHTWGKPVBK-NFOMZHRRSA-N 2 1 328.420 1.322 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999351251 706864112 /nfs/dbraw/zinc/86/41/12/706864112.db2.gz DRPCUAXCWZRIAD-JKSUJKDBSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999351251 706864113 /nfs/dbraw/zinc/86/41/13/706864113.db2.gz DRPCUAXCWZRIAD-JKSUJKDBSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000999373729 706868468 /nfs/dbraw/zinc/86/84/68/706868468.db2.gz QZADWNYDYLBGKP-HOTGVXAUSA-N 2 1 343.431 1.838 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999367183 706880829 /nfs/dbraw/zinc/88/08/29/706880829.db2.gz DUTIZZFUZAWVHG-NVXWUHKLSA-N 2 1 331.464 1.206 20 0 EDADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999400199 706895285 /nfs/dbraw/zinc/89/52/85/706895285.db2.gz JQXPOYCSEBJRLQ-HOTGVXAUSA-N 2 1 331.464 1.432 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999400199 706895286 /nfs/dbraw/zinc/89/52/86/706895286.db2.gz JQXPOYCSEBJRLQ-HOTGVXAUSA-N 2 1 331.464 1.432 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000999402990 706911472 /nfs/dbraw/zinc/91/14/72/706911472.db2.gz LTINZSQQQFSMMD-UHFFFAOYSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999405775 706915022 /nfs/dbraw/zinc/91/50/22/706915022.db2.gz IFTZHXVQSYNSGF-GRTSSRMGSA-N 2 1 347.463 1.510 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999405775 706915025 /nfs/dbraw/zinc/91/50/25/706915025.db2.gz IFTZHXVQSYNSGF-GRTSSRMGSA-N 2 1 347.463 1.510 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(F)cn3)C2)C1 ZINC000999410557 706920228 /nfs/dbraw/zinc/92/02/28/706920228.db2.gz YUQPXYBSIZBRDK-NVPAJSRCSA-N 2 1 334.439 1.642 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1C ZINC000999410345 706920374 /nfs/dbraw/zinc/92/03/74/706920374.db2.gz VMVJPMKPAIDRGD-BZOOQXSSSA-N 2 1 333.480 1.149 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc(C)[nH+]1 ZINC001060879627 706987826 /nfs/dbraw/zinc/98/78/26/706987826.db2.gz JMUQFEQROOALQA-CABCVRRESA-N 2 1 331.464 1.560 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc(C)[nH+]1 ZINC001060879627 706987828 /nfs/dbraw/zinc/98/78/28/706987828.db2.gz JMUQFEQROOALQA-CABCVRRESA-N 2 1 331.464 1.560 20 0 EDADMP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)ncc4C3)CC[C@@H]2C1 ZINC000946779218 707238326 /nfs/dbraw/zinc/23/83/26/707238326.db2.gz JYWYTKLPRGNZPA-ZACQAIPSSA-N 2 1 330.476 1.944 20 0 EDADMP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CC[C@@H]2C1 ZINC000946779218 707238328 /nfs/dbraw/zinc/23/83/28/707238328.db2.gz JYWYTKLPRGNZPA-ZACQAIPSSA-N 2 1 330.476 1.944 20 0 EDADMP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CC[C@@H]2C1 ZINC000946779218 707238330 /nfs/dbraw/zinc/23/83/30/707238330.db2.gz JYWYTKLPRGNZPA-ZACQAIPSSA-N 2 1 330.476 1.944 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)sn1 ZINC000999730349 707274397 /nfs/dbraw/zinc/27/43/97/707274397.db2.gz YCLZIBMAYGRBTD-CQSZACIVSA-N 2 1 333.461 1.737 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033180190 707337618 /nfs/dbraw/zinc/33/76/18/707337618.db2.gz FJYZXPLWFPILLQ-QGZVFWFLSA-N 2 1 346.475 1.892 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033180190 707337622 /nfs/dbraw/zinc/33/76/22/707337622.db2.gz FJYZXPLWFPILLQ-QGZVFWFLSA-N 2 1 346.475 1.892 20 0 EDADMP Cc1ncc(CN[C@H]2CCCN(C(=O)CCc3nccn3C)C2)o1 ZINC000999778190 707339249 /nfs/dbraw/zinc/33/92/49/707339249.db2.gz VRCRZSYHMYJIMW-AWEZNQCLSA-N 2 1 331.420 1.430 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033295908 707404779 /nfs/dbraw/zinc/40/47/79/707404779.db2.gz OQNNXWOXRKBPGR-MOPGFXCFSA-N 2 1 342.487 1.989 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033295908 707404782 /nfs/dbraw/zinc/40/47/82/707404782.db2.gz OQNNXWOXRKBPGR-MOPGFXCFSA-N 2 1 342.487 1.989 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000999838433 707410213 /nfs/dbraw/zinc/41/02/13/707410213.db2.gz WWRJCPMYUGTLIN-MNNVXMFVSA-N 2 1 343.471 1.748 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000999838814 707410603 /nfs/dbraw/zinc/41/06/03/707410603.db2.gz YHRUVXQXPJMRPG-UHFFFAOYSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199753 707452489 /nfs/dbraw/zinc/45/24/89/707452489.db2.gz XUIJRQWHEHQWDN-RDJZCZTQSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199753 707452491 /nfs/dbraw/zinc/45/24/91/707452491.db2.gz XUIJRQWHEHQWDN-RDJZCZTQSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033199753 707452493 /nfs/dbraw/zinc/45/24/93/707452493.db2.gz XUIJRQWHEHQWDN-RDJZCZTQSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033199753 707452495 /nfs/dbraw/zinc/45/24/95/707452495.db2.gz XUIJRQWHEHQWDN-RDJZCZTQSA-N 2 1 334.464 1.808 20 0 EDADMP COc1cccc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)c1 ZINC000999835866 707470309 /nfs/dbraw/zinc/47/03/09/707470309.db2.gz HHZVJMQFOCZFIG-UHFFFAOYSA-N 2 1 342.443 1.979 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999876310 707523469 /nfs/dbraw/zinc/52/34/69/707523469.db2.gz LWQZJADWROUHND-GPANFISMSA-N 2 1 333.480 1.374 20 0 EDADMP C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004878072 707549755 /nfs/dbraw/zinc/54/97/55/707549755.db2.gz PLTKEKMJSHONFJ-CRAIPNDOSA-N 2 1 347.507 1.764 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999910303 707552861 /nfs/dbraw/zinc/55/28/61/707552861.db2.gz USOVPUZSUWJMBN-KZNAEPCWSA-N 2 1 331.460 1.395 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccnn1C ZINC001004890845 707570105 /nfs/dbraw/zinc/57/01/05/707570105.db2.gz DVRCKCNZSNLOTA-RDJZCZTQSA-N 2 1 344.463 1.484 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cncn3C)C2)C1 ZINC000999973381 707586192 /nfs/dbraw/zinc/58/61/92/707586192.db2.gz KMCUTGULZLMYAG-DLBZAZTESA-N 2 1 347.507 1.623 20 0 EDADMP CC(C)=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999960192 707623293 /nfs/dbraw/zinc/62/32/93/707623293.db2.gz CODBPDMDXILWCP-IRXDYDNUSA-N 2 1 346.479 1.202 20 0 EDADMP CC(C)=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960192 707623298 /nfs/dbraw/zinc/62/32/98/707623298.db2.gz CODBPDMDXILWCP-IRXDYDNUSA-N 2 1 346.479 1.202 20 0 EDADMP CC(C)=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960192 707623301 /nfs/dbraw/zinc/62/33/01/707623301.db2.gz CODBPDMDXILWCP-IRXDYDNUSA-N 2 1 346.479 1.202 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC001060894313 707641968 /nfs/dbraw/zinc/64/19/68/707641968.db2.gz JEXTWXBUIZTIMW-JKSUJKDBSA-N 2 1 345.491 1.950 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC001060894313 707641969 /nfs/dbraw/zinc/64/19/69/707641969.db2.gz JEXTWXBUIZTIMW-JKSUJKDBSA-N 2 1 345.491 1.950 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[NH+](C(C)C)C3)nn2)CC[N@H+]1C ZINC000999985456 707655600 /nfs/dbraw/zinc/65/56/00/707655600.db2.gz CFCDFHSTNCZTSA-YESZJQIVSA-N 2 1 348.495 1.280 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[N@@H+](C(C)C)C3)nn2)CC[NH+]1C ZINC000999985456 707655605 /nfs/dbraw/zinc/65/56/05/707655605.db2.gz CFCDFHSTNCZTSA-YESZJQIVSA-N 2 1 348.495 1.280 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[N@H+](C(C)C)C3)nn2)CC[NH+]1C ZINC000999985456 707655610 /nfs/dbraw/zinc/65/56/10/707655610.db2.gz CFCDFHSTNCZTSA-YESZJQIVSA-N 2 1 348.495 1.280 20 0 EDADMP C[C@H]([NH2+]Cc1cnon1)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004923931 707662017 /nfs/dbraw/zinc/66/20/17/707662017.db2.gz FICWICRQBXDIKS-BBRMVZONSA-N 2 1 335.452 1.271 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CC3CC3)C2)nn1 ZINC000999999112 707682486 /nfs/dbraw/zinc/68/24/86/707682486.db2.gz WTTYZGSHZHMNQW-SJORKVTESA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CC3CC3)C2)nn1 ZINC000999999112 707682489 /nfs/dbraw/zinc/68/24/89/707682489.db2.gz WTTYZGSHZHMNQW-SJORKVTESA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CC3CC3)C2)nn1 ZINC000999999112 707682493 /nfs/dbraw/zinc/68/24/93/707682493.db2.gz WTTYZGSHZHMNQW-SJORKVTESA-N 2 1 346.479 1.035 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213538 707709389 /nfs/dbraw/zinc/70/93/89/707709389.db2.gz KVUREZIUKASZHF-CJNGLKHVSA-N 2 1 330.432 1.824 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)c1 ZINC001033415689 707792740 /nfs/dbraw/zinc/79/27/40/707792740.db2.gz KBBQHRVTMQRIKD-AEFFLSMTSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC001033415689 707792742 /nfs/dbraw/zinc/79/27/42/707792742.db2.gz KBBQHRVTMQRIKD-AEFFLSMTSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cncc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)c1 ZINC001033415689 707792744 /nfs/dbraw/zinc/79/27/44/707792744.db2.gz KBBQHRVTMQRIKD-AEFFLSMTSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)c1 ZINC001033415689 707792747 /nfs/dbraw/zinc/79/27/47/707792747.db2.gz KBBQHRVTMQRIKD-AEFFLSMTSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033420741 707831627 /nfs/dbraw/zinc/83/16/27/707831627.db2.gz SIYMQTLGGXGXCO-DZGCQCFKSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033420741 707831636 /nfs/dbraw/zinc/83/16/36/707831636.db2.gz SIYMQTLGGXGXCO-DZGCQCFKSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420741 707831637 /nfs/dbraw/zinc/83/16/37/707831637.db2.gz SIYMQTLGGXGXCO-DZGCQCFKSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420741 707831642 /nfs/dbraw/zinc/83/16/42/707831642.db2.gz SIYMQTLGGXGXCO-DZGCQCFKSA-N 2 1 336.505 1.826 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC001000195349 707836420 /nfs/dbraw/zinc/83/64/20/707836420.db2.gz YCXQGYHVHQSKHX-GOEBONIOSA-N 2 1 348.495 1.171 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC001000195349 707836421 /nfs/dbraw/zinc/83/64/21/707836421.db2.gz YCXQGYHVHQSKHX-GOEBONIOSA-N 2 1 348.495 1.171 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033227211 707842368 /nfs/dbraw/zinc/84/23/68/707842368.db2.gz BWPRHJOGKPNYPU-KRWDZBQOSA-N 2 1 328.460 1.743 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033227211 707842373 /nfs/dbraw/zinc/84/23/73/707842373.db2.gz BWPRHJOGKPNYPU-KRWDZBQOSA-N 2 1 328.460 1.743 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccnn2C)C1 ZINC001033472730 707960785 /nfs/dbraw/zinc/96/07/85/707960785.db2.gz AZINJAJHLUGOGF-FUHWJXTLSA-N 2 1 347.507 1.716 20 0 EDADMP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)c1C ZINC001032781332 707970674 /nfs/dbraw/zinc/97/06/74/707970674.db2.gz RAWCMLQXXTXAEO-BZSNNMDCSA-N 2 1 343.471 1.740 20 0 EDADMP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)c1C ZINC001032781332 707970676 /nfs/dbraw/zinc/97/06/76/707970676.db2.gz RAWCMLQXXTXAEO-BZSNNMDCSA-N 2 1 343.471 1.740 20 0 EDADMP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)c1C ZINC001032781332 707970678 /nfs/dbraw/zinc/97/06/78/707970678.db2.gz RAWCMLQXXTXAEO-BZSNNMDCSA-N 2 1 343.471 1.740 20 0 EDADMP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)c1C ZINC001032781332 707970680 /nfs/dbraw/zinc/97/06/80/707970680.db2.gz RAWCMLQXXTXAEO-BZSNNMDCSA-N 2 1 343.471 1.740 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CC[C@]2(C1)CCC[N@@H+](CCOC1CCC1)C2 ZINC001040530593 708054759 /nfs/dbraw/zinc/05/47/59/708054759.db2.gz CUASMPSEDQIGGE-HXUWFJFHSA-N 2 1 349.519 1.966 20 0 EDADMP Cc1ncccc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005180064 708123151 /nfs/dbraw/zinc/12/31/51/708123151.db2.gz QEGRXVVMPRAOCW-SFHVURJKSA-N 2 1 330.476 1.907 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCc2ccns2)CC1 ZINC001005183394 708133609 /nfs/dbraw/zinc/13/36/09/708133609.db2.gz HWPLOTOMIXWGIT-MRXNPFEDSA-N 2 1 336.505 1.703 20 0 EDADMP Cc1cc(CN2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)sn1 ZINC001001450636 708152564 /nfs/dbraw/zinc/15/25/64/708152564.db2.gz LJJWFXXHJINWQY-OAHLLOKOSA-N 2 1 334.489 1.652 20 0 EDADMP Cc1cc(C[NH+]2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)sn1 ZINC001001450636 708152568 /nfs/dbraw/zinc/15/25/68/708152568.db2.gz LJJWFXXHJINWQY-OAHLLOKOSA-N 2 1 334.489 1.652 20 0 EDADMP Cc1cc(C[NH+]2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)sn1 ZINC001001450636 708152571 /nfs/dbraw/zinc/15/25/71/708152571.db2.gz LJJWFXXHJINWQY-OAHLLOKOSA-N 2 1 334.489 1.652 20 0 EDADMP Cc1cc(C[N@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)C3)CC2)sn1 ZINC001001450636 708152574 /nfs/dbraw/zinc/15/25/74/708152574.db2.gz LJJWFXXHJINWQY-OAHLLOKOSA-N 2 1 334.489 1.652 20 0 EDADMP Cc1cc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)C3)CC2)sn1 ZINC001001450636 708152578 /nfs/dbraw/zinc/15/25/78/708152578.db2.gz LJJWFXXHJINWQY-OAHLLOKOSA-N 2 1 334.489 1.652 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](C[C@H]3CCCCO3)C2)CC1 ZINC001033531545 708154760 /nfs/dbraw/zinc/15/47/60/708154760.db2.gz LONYVDWZTRVUKX-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001001534954 708161778 /nfs/dbraw/zinc/16/17/78/708161778.db2.gz OENGLTSDTRUFGF-GOSISDBHSA-N 2 1 345.491 1.598 20 0 EDADMP C[C@H](F)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001531312 708161809 /nfs/dbraw/zinc/16/18/09/708161809.db2.gz DXFGQZMTKDPJIV-SQWLQELKSA-N 2 1 329.460 1.282 20 0 EDADMP C[C@H](F)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001531312 708161811 /nfs/dbraw/zinc/16/18/11/708161811.db2.gz DXFGQZMTKDPJIV-SQWLQELKSA-N 2 1 329.460 1.282 20 0 EDADMP COCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033540665 708198271 /nfs/dbraw/zinc/19/82/71/708198271.db2.gz SKOWBKZQXIYMBV-MRXNPFEDSA-N 2 1 329.404 1.060 20 0 EDADMP COCC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033540665 708198272 /nfs/dbraw/zinc/19/82/72/708198272.db2.gz SKOWBKZQXIYMBV-MRXNPFEDSA-N 2 1 329.404 1.060 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001005209607 708235078 /nfs/dbraw/zinc/23/50/78/708235078.db2.gz MTVYOMDEIGCEHG-LJQANCHMSA-N 2 1 345.487 1.748 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001005209607 708235080 /nfs/dbraw/zinc/23/50/80/708235080.db2.gz MTVYOMDEIGCEHG-LJQANCHMSA-N 2 1 345.487 1.748 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)sn1 ZINC001033586749 708277865 /nfs/dbraw/zinc/27/78/65/708277865.db2.gz ABRGAXUNUVCCJO-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)sn1 ZINC001033586749 708277868 /nfs/dbraw/zinc/27/78/68/708277868.db2.gz ABRGAXUNUVCCJO-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)sn1 ZINC001033586749 708277870 /nfs/dbraw/zinc/27/78/70/708277870.db2.gz ABRGAXUNUVCCJO-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)sn1 ZINC001033586749 708277873 /nfs/dbraw/zinc/27/78/73/708277873.db2.gz ABRGAXUNUVCCJO-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001757557 708281203 /nfs/dbraw/zinc/28/12/03/708281203.db2.gz VLFBQAWVISHMJJ-FUHWJXTLSA-N 2 1 339.524 1.970 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001033585375 708312551 /nfs/dbraw/zinc/31/25/51/708312551.db2.gz HQKRCUSIQUJRPO-HZPDHXFCSA-N 2 1 346.475 1.863 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001033585375 708312555 /nfs/dbraw/zinc/31/25/55/708312555.db2.gz HQKRCUSIQUJRPO-HZPDHXFCSA-N 2 1 346.475 1.863 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2cscn2)CC1 ZINC001001826189 708328414 /nfs/dbraw/zinc/32/84/14/708328414.db2.gz SAISONGEOQLRBC-CZUORRHYSA-N 2 1 336.505 1.669 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2cscn2)CC1 ZINC001001826189 708328419 /nfs/dbraw/zinc/32/84/19/708328419.db2.gz SAISONGEOQLRBC-CZUORRHYSA-N 2 1 336.505 1.669 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001832277 708358166 /nfs/dbraw/zinc/35/81/66/708358166.db2.gz DDDCNOFNLSBDJV-RHSMWYFYSA-N 2 1 348.491 1.617 20 0 EDADMP C[N@H+]1C[C@H](C(=O)NCC2CC[NH+](CCO)CC2)[C@@H](c2ccccc2)C1 ZINC001001869064 708378505 /nfs/dbraw/zinc/37/85/05/708378505.db2.gz HEOABGRFQWUTIN-MOPGFXCFSA-N 2 1 345.487 1.152 20 0 EDADMP Cc1nc(CC[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cs1 ZINC001033654353 708421971 /nfs/dbraw/zinc/42/19/71/708421971.db2.gz AJEQVVBAIVLLGU-ZBFHGGJFSA-N 2 1 336.505 1.478 20 0 EDADMP Cc1nc(CC[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cs1 ZINC001033654353 708421972 /nfs/dbraw/zinc/42/19/72/708421972.db2.gz AJEQVVBAIVLLGU-ZBFHGGJFSA-N 2 1 336.505 1.478 20 0 EDADMP Cc1nc(CC[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001033654353 708421973 /nfs/dbraw/zinc/42/19/73/708421973.db2.gz AJEQVVBAIVLLGU-ZBFHGGJFSA-N 2 1 336.505 1.478 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC001033663858 708444822 /nfs/dbraw/zinc/44/48/22/708444822.db2.gz ABLKPKAYNZOFAX-QGZVFWFLSA-N 2 1 349.450 1.833 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001033668737 708457341 /nfs/dbraw/zinc/45/73/41/708457341.db2.gz OBEFUWQEFDNCME-QGZVFWFLSA-N 2 1 344.463 1.238 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001033668737 708457344 /nfs/dbraw/zinc/45/73/44/708457344.db2.gz OBEFUWQEFDNCME-QGZVFWFLSA-N 2 1 344.463 1.238 20 0 EDADMP CN(C)c1cccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)c1 ZINC001033658822 708469814 /nfs/dbraw/zinc/46/98/14/708469814.db2.gz UWDQHYNLJXUQJE-IBGZPJMESA-N 2 1 344.503 1.881 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC001033660562 708473384 /nfs/dbraw/zinc/47/33/84/708473384.db2.gz IGICCEMSTMAWQC-RDJZCZTQSA-N 2 1 349.450 1.689 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC001033660562 708473388 /nfs/dbraw/zinc/47/33/88/708473388.db2.gz IGICCEMSTMAWQC-RDJZCZTQSA-N 2 1 349.450 1.689 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC001033660562 708473390 /nfs/dbraw/zinc/47/33/90/708473390.db2.gz IGICCEMSTMAWQC-RDJZCZTQSA-N 2 1 349.450 1.689 20 0 EDADMP COc1ccc(F)cc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033663259 708480486 /nfs/dbraw/zinc/48/04/86/708480486.db2.gz UYPDAELMVJEAFV-YOEHRIQHSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(F)cc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033663259 708480488 /nfs/dbraw/zinc/48/04/88/708480488.db2.gz UYPDAELMVJEAFV-YOEHRIQHSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(F)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033663259 708480490 /nfs/dbraw/zinc/48/04/90/708480490.db2.gz UYPDAELMVJEAFV-YOEHRIQHSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(F)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033663259 708480492 /nfs/dbraw/zinc/48/04/92/708480492.db2.gz UYPDAELMVJEAFV-YOEHRIQHSA-N 2 1 349.450 1.819 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684340 708496287 /nfs/dbraw/zinc/49/62/87/708496287.db2.gz MXICVSBGJRVAPH-MAUKXSAKSA-N 2 1 333.476 1.929 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684342 708496810 /nfs/dbraw/zinc/49/68/10/708496810.db2.gz MXICVSBGJRVAPH-YJBOKZPZSA-N 2 1 333.476 1.929 20 0 EDADMP Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c(N2CCCC2)[nH+]1 ZINC000921873874 708748636 /nfs/dbraw/zinc/74/86/36/708748636.db2.gz NSKLTEJXFSGHRT-HOCLYGCPSA-N 2 1 331.464 1.882 20 0 EDADMP Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)c(N2CCCC2)[nH+]1 ZINC000921873874 708748638 /nfs/dbraw/zinc/74/86/38/708748638.db2.gz NSKLTEJXFSGHRT-HOCLYGCPSA-N 2 1 331.464 1.882 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033855408 708918102 /nfs/dbraw/zinc/91/81/02/708918102.db2.gz KBDHVUWLARHOGF-DLBZAZTESA-N 2 1 325.497 1.270 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033855408 708918104 /nfs/dbraw/zinc/91/81/04/708918104.db2.gz KBDHVUWLARHOGF-DLBZAZTESA-N 2 1 325.497 1.270 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033855408 708918105 /nfs/dbraw/zinc/91/81/05/708918105.db2.gz KBDHVUWLARHOGF-DLBZAZTESA-N 2 1 325.497 1.270 20 0 EDADMP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(C)n1 ZINC001002480047 709030347 /nfs/dbraw/zinc/03/03/47/709030347.db2.gz LJQMEBARZAUAHC-SFHVURJKSA-N 2 1 330.476 1.873 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001032826907 709207845 /nfs/dbraw/zinc/20/78/45/709207845.db2.gz KQNLDELVEWRSEV-GBESFXJTSA-N 2 1 345.487 1.785 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001032826907 709207847 /nfs/dbraw/zinc/20/78/47/709207847.db2.gz KQNLDELVEWRSEV-GBESFXJTSA-N 2 1 345.487 1.785 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001032826907 709207850 /nfs/dbraw/zinc/20/78/50/709207850.db2.gz KQNLDELVEWRSEV-GBESFXJTSA-N 2 1 345.487 1.785 20 0 EDADMP CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001034011975 709225211 /nfs/dbraw/zinc/22/52/11/709225211.db2.gz LBGSYAQMRZEEOC-GOSISDBHSA-N 2 1 337.508 1.678 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001034015192 709231227 /nfs/dbraw/zinc/23/12/27/709231227.db2.gz FMWAZQIFNKCVEC-INIZCTEOSA-N 2 1 343.475 1.304 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001034015192 709231229 /nfs/dbraw/zinc/23/12/29/709231229.db2.gz FMWAZQIFNKCVEC-INIZCTEOSA-N 2 1 343.475 1.304 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2cc(C)ns2)C1 ZINC001034040702 709252228 /nfs/dbraw/zinc/25/22/28/709252228.db2.gz WFTBNQICLCGCIG-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc(C)ns2)C1 ZINC001034040702 709252230 /nfs/dbraw/zinc/25/22/30/709252230.db2.gz WFTBNQICLCGCIG-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc(C)ns2)C1 ZINC001034040702 709252231 /nfs/dbraw/zinc/25/22/31/709252231.db2.gz WFTBNQICLCGCIG-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C)ns2)C1 ZINC001034040702 709252233 /nfs/dbraw/zinc/25/22/33/709252233.db2.gz WFTBNQICLCGCIG-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C)ns2)C1 ZINC001034040702 709252234 /nfs/dbraw/zinc/25/22/34/709252234.db2.gz WFTBNQICLCGCIG-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001034039559 709272371 /nfs/dbraw/zinc/27/23/71/709272371.db2.gz KEUQHAICYIXCHA-IRXDYDNUSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001034039559 709272372 /nfs/dbraw/zinc/27/23/72/709272372.db2.gz KEUQHAICYIXCHA-IRXDYDNUSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001034039559 709272373 /nfs/dbraw/zinc/27/23/73/709272373.db2.gz KEUQHAICYIXCHA-IRXDYDNUSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001034039559 709272375 /nfs/dbraw/zinc/27/23/75/709272375.db2.gz KEUQHAICYIXCHA-IRXDYDNUSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)cn1 ZINC001002793157 709401311 /nfs/dbraw/zinc/40/13/11/709401311.db2.gz VSPPMMQPGQGPEH-GOSISDBHSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)cn1 ZINC001002793157 709401312 /nfs/dbraw/zinc/40/13/12/709401312.db2.gz VSPPMMQPGQGPEH-GOSISDBHSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1noc(CCC[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001034132920 709402886 /nfs/dbraw/zinc/40/28/86/709402886.db2.gz VBZAOFCMRCABNT-HZPDHXFCSA-N 2 1 349.479 1.376 20 0 EDADMP Cc1noc(CCC[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001034132920 709402887 /nfs/dbraw/zinc/40/28/87/709402887.db2.gz VBZAOFCMRCABNT-HZPDHXFCSA-N 2 1 349.479 1.376 20 0 EDADMP Cc1noc(CCC[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001034132920 709402889 /nfs/dbraw/zinc/40/28/89/709402889.db2.gz VBZAOFCMRCABNT-HZPDHXFCSA-N 2 1 349.479 1.376 20 0 EDADMP Cn1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)cn1 ZINC001002801545 709415685 /nfs/dbraw/zinc/41/56/85/709415685.db2.gz JIWNGYQTISPDJG-AEFFLSMTSA-N 2 1 345.491 1.375 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CCCC3CCC3)C2)C1 ZINC001034148497 709419274 /nfs/dbraw/zinc/41/92/74/709419274.db2.gz LCDPLLXZTJSVDN-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CCCC3CCC3)C2)C1 ZINC001034148497 709419276 /nfs/dbraw/zinc/41/92/76/709419276.db2.gz LCDPLLXZTJSVDN-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCCC3CCC3)C2)C1 ZINC001034148497 709419278 /nfs/dbraw/zinc/41/92/78/709419278.db2.gz LCDPLLXZTJSVDN-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCCC3CCC3)C2)C1 ZINC001034148497 709419282 /nfs/dbraw/zinc/41/92/82/709419282.db2.gz LCDPLLXZTJSVDN-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC001002830890 709442142 /nfs/dbraw/zinc/44/21/42/709442142.db2.gz DSOLECJNHXWGPW-QGZVFWFLSA-N 2 1 332.448 1.405 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC001002850825 709459048 /nfs/dbraw/zinc/45/90/48/709459048.db2.gz AVVCSXVKWQTOMI-RHSMWYFYSA-N 2 1 346.475 1.511 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC001002850825 709459050 /nfs/dbraw/zinc/45/90/50/709459050.db2.gz AVVCSXVKWQTOMI-RHSMWYFYSA-N 2 1 346.475 1.511 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CCn2cccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034212969 709564598 /nfs/dbraw/zinc/56/45/98/709564598.db2.gz SMYIGDSWPKTRRQ-MSOLQXFVSA-N 2 1 345.491 1.196 20 0 EDADMP O[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000702545509 709652816 /nfs/dbraw/zinc/65/28/16/709652816.db2.gz RIELVZDEYMHSTC-UXHICEINSA-N 2 1 326.440 1.947 20 0 EDADMP O[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000702545509 709652819 /nfs/dbraw/zinc/65/28/19/709652819.db2.gz RIELVZDEYMHSTC-UXHICEINSA-N 2 1 326.440 1.947 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001002954615 709655119 /nfs/dbraw/zinc/65/51/19/709655119.db2.gz GFMZEZQHGWRNFD-SFHVURJKSA-N 2 1 347.507 1.418 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCC3)C2)O1 ZINC001034272649 709680627 /nfs/dbraw/zinc/68/06/27/709680627.db2.gz OEAFLXLLVFTLRS-BPQIPLTHSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCC3)C2)O1 ZINC001034272649 709680630 /nfs/dbraw/zinc/68/06/30/709680630.db2.gz OEAFLXLLVFTLRS-BPQIPLTHSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@H+](CC3CCCC3)C2)O1 ZINC001034272649 709680634 /nfs/dbraw/zinc/68/06/34/709680634.db2.gz OEAFLXLLVFTLRS-BPQIPLTHSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CCCC3)C2)O1 ZINC001034272649 709680635 /nfs/dbraw/zinc/68/06/35/709680635.db2.gz OEAFLXLLVFTLRS-BPQIPLTHSA-N 2 1 337.508 1.866 20 0 EDADMP CNC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309150 709750448 /nfs/dbraw/zinc/75/04/48/709750448.db2.gz IRQNCAPJKKUEIO-HIFRSBDPSA-N 2 1 343.431 1.053 20 0 EDADMP CNC(=O)[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309150 709750451 /nfs/dbraw/zinc/75/04/51/709750451.db2.gz IRQNCAPJKKUEIO-HIFRSBDPSA-N 2 1 343.431 1.053 20 0 EDADMP O=C(NC1CC[NH+](CCF)CC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001003006490 709774422 /nfs/dbraw/zinc/77/44/22/709774422.db2.gz BGAACIWPYNXVRD-MRXNPFEDSA-N 2 1 327.444 1.180 20 0 EDADMP O=C(NC1CC[NH+](CCF)CC1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001003006490 709774424 /nfs/dbraw/zinc/77/44/24/709774424.db2.gz BGAACIWPYNXVRD-MRXNPFEDSA-N 2 1 327.444 1.180 20 0 EDADMP CO[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034341060 709779527 /nfs/dbraw/zinc/77/95/27/709779527.db2.gz ZIKCEJVDSZYSLL-HZPDHXFCSA-N 2 1 325.497 1.866 20 0 EDADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000922134885 709823014 /nfs/dbraw/zinc/82/30/14/709823014.db2.gz KEZINOBDFBWWOY-UHFFFAOYSA-N 2 1 345.447 1.429 20 0 EDADMP Cc1cc(CN2CCCC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)ncn1 ZINC001034399021 709941080 /nfs/dbraw/zinc/94/10/80/709941080.db2.gz QYVWEQRMFACBSC-SJORKVTESA-N 2 1 345.491 1.740 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)ncn1 ZINC001034399021 709941085 /nfs/dbraw/zinc/94/10/85/709941085.db2.gz QYVWEQRMFACBSC-SJORKVTESA-N 2 1 345.491 1.740 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)ncn1 ZINC001034399021 709941089 /nfs/dbraw/zinc/94/10/89/709941089.db2.gz QYVWEQRMFACBSC-SJORKVTESA-N 2 1 345.491 1.740 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)ncn1 ZINC001034399021 709941096 /nfs/dbraw/zinc/94/10/96/709941096.db2.gz QYVWEQRMFACBSC-SJORKVTESA-N 2 1 345.491 1.740 20 0 EDADMP COC[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400246 709943738 /nfs/dbraw/zinc/94/37/38/709943738.db2.gz XEVDONHFWQVIFD-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP COC[C@@H](C)[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034400246 709943741 /nfs/dbraw/zinc/94/37/41/709943741.db2.gz XEVDONHFWQVIFD-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP COC[C@@H](C)[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034400246 709943746 /nfs/dbraw/zinc/94/37/46/709943746.db2.gz XEVDONHFWQVIFD-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3ccccn3)C2)C1 ZINC001034401419 709946678 /nfs/dbraw/zinc/94/66/78/709946678.db2.gz JBDIDTZQKXBGQW-WMZOPIPTSA-N 2 1 330.476 1.894 20 0 EDADMP Cn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034430407 709997182 /nfs/dbraw/zinc/99/71/82/709997182.db2.gz DVBKHOHJSJYXMZ-INIZCTEOSA-N 2 1 348.495 1.018 20 0 EDADMP Cn1nncc1C[N@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034430407 709997184 /nfs/dbraw/zinc/99/71/84/709997184.db2.gz DVBKHOHJSJYXMZ-INIZCTEOSA-N 2 1 348.495 1.018 20 0 EDADMP Cn1nccc1CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003158261 710066189 /nfs/dbraw/zinc/06/61/89/710066189.db2.gz FRXBJBSTRBATMZ-QGZVFWFLSA-N 2 1 333.480 1.028 20 0 EDADMP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034490668 710109269 /nfs/dbraw/zinc/10/92/69/710109269.db2.gz MPRNRGAEDJJUKL-DLBZAZTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034490668 710109271 /nfs/dbraw/zinc/10/92/71/710109271.db2.gz MPRNRGAEDJJUKL-DLBZAZTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490668 710109275 /nfs/dbraw/zinc/10/92/75/710109275.db2.gz MPRNRGAEDJJUKL-DLBZAZTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490668 710109277 /nfs/dbraw/zinc/10/92/77/710109277.db2.gz MPRNRGAEDJJUKL-DLBZAZTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)nn1C ZINC001034490391 710109355 /nfs/dbraw/zinc/10/93/55/710109355.db2.gz LAEVJJBIZHHZPD-SJORKVTESA-N 2 1 347.507 1.541 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)nn1C ZINC001034490391 710109357 /nfs/dbraw/zinc/10/93/57/710109357.db2.gz LAEVJJBIZHHZPD-SJORKVTESA-N 2 1 347.507 1.541 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1C ZINC001034490391 710109359 /nfs/dbraw/zinc/10/93/59/710109359.db2.gz LAEVJJBIZHHZPD-SJORKVTESA-N 2 1 347.507 1.541 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1C ZINC001034490391 710109361 /nfs/dbraw/zinc/10/93/61/710109361.db2.gz LAEVJJBIZHHZPD-SJORKVTESA-N 2 1 347.507 1.541 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003245113 710169057 /nfs/dbraw/zinc/16/90/57/710169057.db2.gz VJCZXGWKMRWLLJ-OAHLLOKOSA-N 2 1 343.475 1.747 20 0 EDADMP Cc1noc(CCC[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525689 710176138 /nfs/dbraw/zinc/17/61/38/710176138.db2.gz OUHWFFKKHHBDSZ-HZPDHXFCSA-N 2 1 349.479 1.233 20 0 EDADMP Cc1noc(CCC[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034525689 710176140 /nfs/dbraw/zinc/17/61/40/710176140.db2.gz OUHWFFKKHHBDSZ-HZPDHXFCSA-N 2 1 349.479 1.233 20 0 EDADMP Cc1noc(CCC[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034525689 710176141 /nfs/dbraw/zinc/17/61/41/710176141.db2.gz OUHWFFKKHHBDSZ-HZPDHXFCSA-N 2 1 349.479 1.233 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](CC[C@H]2CCCO2)C1 ZINC001034526655 710178983 /nfs/dbraw/zinc/17/89/83/710178983.db2.gz AWSPYWURDXHTSP-DLBZAZTESA-N 2 1 334.464 1.731 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001034526655 710178988 /nfs/dbraw/zinc/17/89/88/710178988.db2.gz AWSPYWURDXHTSP-DLBZAZTESA-N 2 1 334.464 1.731 20 0 EDADMP C[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034541192 710215379 /nfs/dbraw/zinc/21/53/79/710215379.db2.gz NNXPHGAJOKQSGR-ZBFHGGJFSA-N 2 1 346.475 1.206 20 0 EDADMP C[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034541192 710215380 /nfs/dbraw/zinc/21/53/80/710215380.db2.gz NNXPHGAJOKQSGR-ZBFHGGJFSA-N 2 1 346.475 1.206 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001034611982 710286597 /nfs/dbraw/zinc/28/65/97/710286597.db2.gz NXGIPMAFXDJLRI-BRWVUGGUSA-N 2 1 333.480 1.340 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCO[C@@H]3CC3(F)F)C2)CC[N@H+]1C ZINC001032840115 710289350 /nfs/dbraw/zinc/28/93/50/710289350.db2.gz SVPLIYPGUZRPRV-BYNSBNAKSA-N 2 1 345.434 1.331 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CCO[C@@H]3CC3(F)F)C2)CC[NH+]1C ZINC001032840115 710289351 /nfs/dbraw/zinc/28/93/51/710289351.db2.gz SVPLIYPGUZRPRV-BYNSBNAKSA-N 2 1 345.434 1.331 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCO[C@@H]3CC3(F)F)C2)CC[NH+]1C ZINC001032840115 710289354 /nfs/dbraw/zinc/28/93/54/710289354.db2.gz SVPLIYPGUZRPRV-BYNSBNAKSA-N 2 1 345.434 1.331 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)on1 ZINC001003375182 710293039 /nfs/dbraw/zinc/29/30/39/710293039.db2.gz JSOWCUOGYYZKSS-GOSISDBHSA-N 2 1 346.475 1.938 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034642178 710317665 /nfs/dbraw/zinc/31/76/65/710317665.db2.gz AWAIFHUTTSORNG-BQFCYCMXSA-N 2 1 347.507 1.810 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC001003484025 710378369 /nfs/dbraw/zinc/37/83/69/710378369.db2.gz UVBJLDYFZMJPCG-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP COC(=O)COc1ccccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000922273309 710563258 /nfs/dbraw/zinc/56/32/58/710563258.db2.gz DWWHHHSNCGCWJG-UHFFFAOYSA-N 2 1 349.475 1.308 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001034675323 710627630 /nfs/dbraw/zinc/62/76/30/710627630.db2.gz ZNJSPYVTHDWDTJ-IIAWOOMASA-N 2 1 335.452 1.379 20 0 EDADMP CC[C@@H](C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1)OC ZINC001005592391 710638853 /nfs/dbraw/zinc/63/88/53/710638853.db2.gz LOYLDXRQHMZART-DLBZAZTESA-N 2 1 325.497 1.819 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001003853955 710718147 /nfs/dbraw/zinc/71/81/47/710718147.db2.gz RHOADBSHKFPLGQ-CQSZACIVSA-N 2 1 343.431 1.496 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001034690974 710763748 /nfs/dbraw/zinc/76/37/48/710763748.db2.gz FRONKSADMIDPRE-WKILWMFISA-N 2 1 345.447 1.959 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2nncn2C)CC1 ZINC001034693003 710782662 /nfs/dbraw/zinc/78/26/62/710782662.db2.gz RNMDKKJCXOCNLO-RBSFLKMASA-N 2 1 345.451 1.098 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034734969 710918554 /nfs/dbraw/zinc/91/85/54/710918554.db2.gz CTUFIQCLPDSEEU-MGPQQGTHSA-N 2 1 337.493 1.539 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2cnn(C)c2)CC1 ZINC001034734977 710918675 /nfs/dbraw/zinc/91/86/75/710918675.db2.gz CYFJTKJJULYCDS-KBAYOESNSA-N 2 1 347.507 1.464 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCOC3)CC2)C1 ZINC001034735704 710922334 /nfs/dbraw/zinc/92/23/34/710922334.db2.gz MJLOFDORUCVTBX-BRWVUGGUSA-N 2 1 337.508 1.772 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC001034737524 710950144 /nfs/dbraw/zinc/95/01/44/710950144.db2.gz LHGPEEGTUICLMU-KBUPBQIOSA-N 2 1 349.479 1.347 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC001034737524 710950146 /nfs/dbraw/zinc/95/01/46/710950146.db2.gz LHGPEEGTUICLMU-KBUPBQIOSA-N 2 1 349.479 1.347 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1 ZINC001034737496 710950386 /nfs/dbraw/zinc/95/03/86/710950386.db2.gz JWNUCCUMDKUOIY-RZLSGREXSA-N 2 1 336.505 1.858 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1C ZINC001034737796 710950870 /nfs/dbraw/zinc/95/08/70/710950870.db2.gz MVXPDLFBIJQLSH-OWIUFQIYSA-N 2 1 347.507 1.443 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC001034738490 710954358 /nfs/dbraw/zinc/95/43/58/710954358.db2.gz TWIRPITUAKSYJP-PILAGYSTSA-N 2 1 348.466 1.935 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](C)O2)CC1 ZINC001034795255 711112974 /nfs/dbraw/zinc/11/29/74/711112974.db2.gz YGBHVHKFOLSCJF-MWQQHZPXSA-N 2 1 334.464 1.776 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001034792154 711118773 /nfs/dbraw/zinc/11/87/73/711118773.db2.gz GFMZAWJDVVNYMM-NMFUWQPSSA-N 2 1 334.468 1.143 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)nc1 ZINC001034793297 711123063 /nfs/dbraw/zinc/12/30/63/711123063.db2.gz VPLKPARIDPFRLE-JYJNAYRXSA-N 2 1 331.464 1.254 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC001003978148 711152929 /nfs/dbraw/zinc/15/29/29/711152929.db2.gz CGHIQGNJZYYFPT-UHFFFAOYSA-N 2 1 344.459 1.267 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]C[C@H]2CCOC2)cc1 ZINC001034810276 711170689 /nfs/dbraw/zinc/17/06/89/711170689.db2.gz CULDYHRDMJDWAL-MSOLQXFVSA-N 2 1 331.460 1.523 20 0 EDADMP CC(C)n1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001034882940 711284420 /nfs/dbraw/zinc/28/44/20/711284420.db2.gz IMVYMFPZXWUHQS-HZPDHXFCSA-N 2 1 334.468 1.034 20 0 EDADMP CC(C)n1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001034882940 711284424 /nfs/dbraw/zinc/28/44/24/711284424.db2.gz IMVYMFPZXWUHQS-HZPDHXFCSA-N 2 1 334.468 1.034 20 0 EDADMP COc1nscc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001034885241 711289862 /nfs/dbraw/zinc/28/98/62/711289862.db2.gz RCTHMUHENIRMQI-ZIAGYGMSSA-N 2 1 338.477 1.327 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nncn1C ZINC001034958465 711431658 /nfs/dbraw/zinc/43/16/58/711431658.db2.gz HUMAYNIRYYIONX-HZPDHXFCSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nncn1C ZINC001034958465 711431660 /nfs/dbraw/zinc/43/16/60/711431660.db2.gz HUMAYNIRYYIONX-HZPDHXFCSA-N 2 1 348.495 1.159 20 0 EDADMP Cc1ncoc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001034958311 711431959 /nfs/dbraw/zinc/43/19/59/711431959.db2.gz HDUVPAUGEIWMQW-CABCVRRESA-N 2 1 343.431 1.838 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[nH]1 ZINC001034958790 711432694 /nfs/dbraw/zinc/43/26/94/711432694.db2.gz MBBHTKZJIKTOLJ-HZPDHXFCSA-N 2 1 348.495 1.172 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[nH]1 ZINC001034958790 711432697 /nfs/dbraw/zinc/43/26/97/711432697.db2.gz MBBHTKZJIKTOLJ-HZPDHXFCSA-N 2 1 348.495 1.172 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccon2)C1 ZINC001034959114 711433172 /nfs/dbraw/zinc/43/31/72/711433172.db2.gz RUILDKYBJIVKFZ-DOTOQJQBSA-N 2 1 334.464 1.733 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccon2)C1 ZINC001034959114 711433174 /nfs/dbraw/zinc/43/31/74/711433174.db2.gz RUILDKYBJIVKFZ-DOTOQJQBSA-N 2 1 334.464 1.733 20 0 EDADMP COc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034939464 711442394 /nfs/dbraw/zinc/44/23/94/711442394.db2.gz BIVRESHOVVHFKR-DJIMGWMZSA-N 2 1 346.475 1.511 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccn(C)n2)CC[N@H+]1C ZINC001034940955 711445171 /nfs/dbraw/zinc/44/51/71/711445171.db2.gz IGSKQLIHPLCPRV-IXDOHACOSA-N 2 1 333.480 1.231 20 0 EDADMP COCc1nc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cs1 ZINC000922387045 711450053 /nfs/dbraw/zinc/45/00/53/711450053.db2.gz JOZYAKCOGZXYSM-JHNDHUHGSA-N 2 1 339.505 1.859 20 0 EDADMP COCc1nc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cs1 ZINC000922387045 711450055 /nfs/dbraw/zinc/45/00/55/711450055.db2.gz JOZYAKCOGZXYSM-JHNDHUHGSA-N 2 1 339.505 1.859 20 0 EDADMP COCc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001004146700 711557740 /nfs/dbraw/zinc/55/77/40/711557740.db2.gz ZXQQHGZUBJXXJA-GOSISDBHSA-N 2 1 345.487 1.865 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)N[C@@H](C)C[NH+](C)C)C2)[C@H]1C(C)C ZINC000922482571 711610023 /nfs/dbraw/zinc/61/00/23/711610023.db2.gz KFTRHJMDFFEYMA-CWIFOLKKSA-N 2 1 340.512 1.106 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2cc(C)no2)C1 ZINC001033126389 711889584 /nfs/dbraw/zinc/88/95/84/711889584.db2.gz MNLWTNPWILFLMJ-RDJZCZTQSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033126424 711889761 /nfs/dbraw/zinc/88/97/61/711889761.db2.gz NBFIZOMGWHWGCY-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033126424 711889762 /nfs/dbraw/zinc/88/97/62/711889762.db2.gz NBFIZOMGWHWGCY-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033139663 711935805 /nfs/dbraw/zinc/93/58/05/711935805.db2.gz HQYOGNIWPGYCSX-IRXDYDNUSA-N 2 1 341.471 1.522 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)[C@H]1CC[NH+](CCCF)C1 ZINC001033139663 711935808 /nfs/dbraw/zinc/93/58/08/711935808.db2.gz HQYOGNIWPGYCSX-IRXDYDNUSA-N 2 1 341.471 1.522 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)[C@H]1CC[NH+](CCCF)C1 ZINC001033139663 711935812 /nfs/dbraw/zinc/93/58/12/711935812.db2.gz HQYOGNIWPGYCSX-IRXDYDNUSA-N 2 1 341.471 1.522 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1)[NH+](C)C ZINC001004539596 711963755 /nfs/dbraw/zinc/96/37/55/711963755.db2.gz LRMGNFGFCJBVQC-IAGOWNOFSA-N 2 1 325.497 1.268 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033147403 712040473 /nfs/dbraw/zinc/04/04/73/712040473.db2.gz WWPUIFPPYXHYHU-QZTJIDSGSA-N 2 1 347.507 1.679 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033147403 712040475 /nfs/dbraw/zinc/04/04/75/712040475.db2.gz WWPUIFPPYXHYHU-QZTJIDSGSA-N 2 1 347.507 1.679 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033147403 712040478 /nfs/dbraw/zinc/04/04/78/712040478.db2.gz WWPUIFPPYXHYHU-QZTJIDSGSA-N 2 1 347.507 1.679 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]2CC1)[NH+](C)C ZINC000946642972 712129990 /nfs/dbraw/zinc/12/99/90/712129990.db2.gz XUPVVXHEMQSKQX-SOLBZPMBSA-N 2 1 347.507 1.431 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H](CC)OC)C[C@H]2CC1)[NH+](C)C ZINC000946642941 712130127 /nfs/dbraw/zinc/13/01/27/712130127.db2.gz WZTRTQWRRUCYJJ-XWTMOSNGSA-N 2 1 339.524 1.922 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCNC(=O)C(F)(F)F ZINC000378439063 282215842 /nfs/dbraw/zinc/21/58/42/282215842.db2.gz ZPKVKFKCLBLLOP-UPJWGTAASA-N 2 1 337.386 1.239 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000558722703 306245919 /nfs/dbraw/zinc/24/59/19/306245919.db2.gz OIKMTBQXGQSMGE-HRCADAONSA-N 2 1 343.537 1.511 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc(C(N)=O)cc3)C2)CC1 ZINC000174877060 529775991 /nfs/dbraw/zinc/77/59/91/529775991.db2.gz LEKAFDDHNWNLRD-GOSISDBHSA-N 2 1 330.476 1.387 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc(C(N)=O)cc3)C2)CC1 ZINC000174877060 529775992 /nfs/dbraw/zinc/77/59/92/529775992.db2.gz LEKAFDDHNWNLRD-GOSISDBHSA-N 2 1 330.476 1.387 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000183418233 529799329 /nfs/dbraw/zinc/79/93/29/529799329.db2.gz UYPLUDKSQZIWFE-UHFFFAOYSA-N 2 1 339.443 1.937 20 0 EDADMP CN(CC[N@H+](C)C[C@H](O)c1cc(F)ccc1F)C1CC[NH+](C)CC1 ZINC000180958345 529903803 /nfs/dbraw/zinc/90/38/03/529903803.db2.gz CUDNXLCVTJWMDK-SFHVURJKSA-N 2 1 341.446 1.956 20 0 EDADMP CN(CC[N@@H+](C)C[C@H](O)c1cc(F)ccc1F)C1CC[NH+](C)CC1 ZINC000180958345 529903804 /nfs/dbraw/zinc/90/38/04/529903804.db2.gz CUDNXLCVTJWMDK-SFHVURJKSA-N 2 1 341.446 1.956 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000561046263 306281782 /nfs/dbraw/zinc/28/17/82/306281782.db2.gz VACWTQMGCUSDQA-UHFFFAOYSA-N 2 1 346.475 1.907 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)CC[N@@H+]1C ZINC000246473547 539625849 /nfs/dbraw/zinc/62/58/49/539625849.db2.gz QRBXCCWBQNDVBT-ZACQAIPSSA-N 2 1 331.460 1.739 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)CC[N@H+]1C ZINC000246473547 539625850 /nfs/dbraw/zinc/62/58/50/539625850.db2.gz QRBXCCWBQNDVBT-ZACQAIPSSA-N 2 1 331.460 1.739 20 0 EDADMP [NH3+][C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCOCC2)c2ccccc21 ZINC000333290137 539627161 /nfs/dbraw/zinc/62/71/61/539627161.db2.gz OMTIGUUNTKLDME-ROUUACIJSA-N 2 1 331.460 1.602 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000561316608 306287060 /nfs/dbraw/zinc/28/70/60/306287060.db2.gz UYRGKYHMHLOEAS-IYBDPMFKSA-N 2 1 337.508 1.819 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000561464886 306287990 /nfs/dbraw/zinc/28/79/90/306287990.db2.gz XCPJLXSMKXPHCD-YESZJQIVSA-N 2 1 338.496 1.365 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000561464886 306287991 /nfs/dbraw/zinc/28/79/91/306287991.db2.gz XCPJLXSMKXPHCD-YESZJQIVSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982018 306291779 /nfs/dbraw/zinc/29/17/79/306291779.db2.gz IIIUPHITEABZMJ-DOTOQJQBSA-N 2 1 332.496 1.000 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982018 306291780 /nfs/dbraw/zinc/29/17/80/306291780.db2.gz IIIUPHITEABZMJ-DOTOQJQBSA-N 2 1 332.496 1.000 20 0 EDADMP C[NH2+][C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1cnn(C)c1 ZINC000563086563 306318374 /nfs/dbraw/zinc/31/83/74/306318374.db2.gz OJIJXVNXOQUONS-KRWDZBQOSA-N 2 1 342.447 1.108 20 0 EDADMP CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000412840632 304039598 /nfs/dbraw/zinc/03/95/98/304039598.db2.gz MSGCCIRXFPQZDK-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000412840632 304039600 /nfs/dbraw/zinc/03/96/00/304039600.db2.gz MSGCCIRXFPQZDK-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000412840632 304039601 /nfs/dbraw/zinc/03/96/01/304039601.db2.gz MSGCCIRXFPQZDK-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000412840632 304039602 /nfs/dbraw/zinc/03/96/02/304039602.db2.gz MSGCCIRXFPQZDK-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563270831 306325842 /nfs/dbraw/zinc/32/58/42/306325842.db2.gz BZKLZZYNJROHQV-IBGZPJMESA-N 3 1 340.556 1.085 20 0 EDADMP C[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264679813 283114568 /nfs/dbraw/zinc/11/45/68/283114568.db2.gz OCRJUVVQJYUXNV-AEFFLSMTSA-N 2 1 330.476 1.043 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264679813 283114572 /nfs/dbraw/zinc/11/45/72/283114572.db2.gz OCRJUVVQJYUXNV-AEFFLSMTSA-N 2 1 330.476 1.043 20 0 EDADMP CC[NH2+]CCCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000563521104 306336779 /nfs/dbraw/zinc/33/67/79/306336779.db2.gz FORCLXOKWQLQOD-UHFFFAOYSA-N 2 1 334.464 1.318 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000066987483 138183539 /nfs/dbraw/zinc/18/35/39/138183539.db2.gz MPRQISMSLHTWKS-UHFFFAOYSA-N 2 1 332.492 1.944 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CCOC)[C@@H](CC)C1 ZINC000360886072 283182283 /nfs/dbraw/zinc/18/22/83/283182283.db2.gz FMHSRVAGBFIUAO-IRXDYDNUSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000360886072 283182285 /nfs/dbraw/zinc/18/22/85/283182285.db2.gz FMHSRVAGBFIUAO-IRXDYDNUSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000360886072 283182286 /nfs/dbraw/zinc/18/22/86/283182286.db2.gz FMHSRVAGBFIUAO-IRXDYDNUSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000249861604 535322719 /nfs/dbraw/zinc/32/27/19/535322719.db2.gz ALEPCXCUQFTWGK-DLBZAZTESA-N 2 1 325.497 1.868 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000097375727 138296997 /nfs/dbraw/zinc/29/69/97/138296997.db2.gz NHKCDGOULMCMKP-UHFFFAOYSA-N 2 1 348.491 1.691 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000097375727 138296998 /nfs/dbraw/zinc/29/69/98/138296998.db2.gz NHKCDGOULMCMKP-UHFFFAOYSA-N 2 1 348.491 1.691 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000563586109 306339978 /nfs/dbraw/zinc/33/99/78/306339978.db2.gz FGYPRTWJSVRKHB-HZPDHXFCSA-N 2 1 326.485 1.032 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107844942 138304697 /nfs/dbraw/zinc/30/46/97/138304697.db2.gz YSNAXFWSYYDLNT-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP COC[C@@]1(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCC[NH2+]1 ZINC000563601386 306341328 /nfs/dbraw/zinc/34/13/28/306341328.db2.gz AHVNDGUXDNHCJE-SFHVURJKSA-N 2 1 338.496 1.415 20 0 EDADMP O=S(=O)(c1ccccc1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000563666791 306344360 /nfs/dbraw/zinc/34/43/60/306344360.db2.gz MPNLFFOEQGDANH-INIZCTEOSA-N 2 1 337.489 1.383 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000564203051 306356783 /nfs/dbraw/zinc/35/67/83/306356783.db2.gz BQDLSQKMDNKOEQ-FUHWJXTLSA-N 2 1 336.476 1.894 20 0 EDADMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1cccc2[nH]ccc21 ZINC000564210882 306357090 /nfs/dbraw/zinc/35/70/90/306357090.db2.gz KXUOXEXAAYBIBB-INIZCTEOSA-N 2 1 347.459 1.344 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564321460 306358359 /nfs/dbraw/zinc/35/83/59/306358359.db2.gz KZFGMBKIUOUPND-LSDHHAIUSA-N 2 1 336.432 1.477 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000413826592 304078548 /nfs/dbraw/zinc/07/85/48/304078548.db2.gz ARBZUGWQZLZJIL-KRWDZBQOSA-N 2 1 336.455 1.993 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](CC)C2)C[C@H]1CC ZINC000413829863 304079168 /nfs/dbraw/zinc/07/91/68/304079168.db2.gz FMJQCSJGDVVIAY-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CC)C2)C[C@H]1CC ZINC000413829863 304079169 /nfs/dbraw/zinc/07/91/69/304079169.db2.gz FMJQCSJGDVVIAY-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC)C2)C[C@H]1CC ZINC000413829863 304079170 /nfs/dbraw/zinc/07/91/70/304079170.db2.gz FMJQCSJGDVVIAY-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000564727318 306364106 /nfs/dbraw/zinc/36/41/06/306364106.db2.gz ZQUDUTRMNHSLPY-XYJFISCASA-N 2 1 348.491 1.703 20 0 EDADMP CC[NH+]1CCN(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000072078954 216004159 /nfs/dbraw/zinc/00/41/59/216004159.db2.gz PZRDFPBGSXPCDF-UHFFFAOYSA-N 2 1 345.491 1.436 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)[C@H](C)C1 ZINC000414184911 304104656 /nfs/dbraw/zinc/10/46/56/304104656.db2.gz GAPSMXNZVZGNSS-QZTJIDSGSA-N 3 1 338.540 1.103 20 0 EDADMP CCN1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)[C@H](C)C1 ZINC000414184911 304104657 /nfs/dbraw/zinc/10/46/57/304104657.db2.gz GAPSMXNZVZGNSS-QZTJIDSGSA-N 2 1 338.540 1.103 20 0 EDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N[C@@H](C)C1C[NH2+]C1 ZINC000566090881 306398405 /nfs/dbraw/zinc/39/84/05/306398405.db2.gz GPCDMFAAPJMMHT-ZDUSSCGKSA-N 2 1 332.448 1.103 20 0 EDADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000566296474 306407701 /nfs/dbraw/zinc/40/77/01/306407701.db2.gz VKPUNMZXHKAVNT-GOSISDBHSA-N 2 1 342.487 1.315 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000414712857 304131760 /nfs/dbraw/zinc/13/17/60/304131760.db2.gz VKZJEIBKDZSUAN-CABCVRRESA-N 2 1 346.475 1.724 20 0 EDADMP C[C@]1(c2ccc(F)cc2)CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414748091 304136727 /nfs/dbraw/zinc/13/67/27/304136727.db2.gz UCNZXZBDKKWBIQ-BEFAXECRSA-N 2 1 333.451 1.986 20 0 EDADMP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)CN1CCCCCC1 ZINC000414749230 304137040 /nfs/dbraw/zinc/13/70/40/304137040.db2.gz VTZOXTYLPLKNLB-KRWDZBQOSA-N 2 1 338.540 1.770 20 0 EDADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)CN1CCCCCC1 ZINC000414749230 304137041 /nfs/dbraw/zinc/13/70/41/304137041.db2.gz VTZOXTYLPLKNLB-KRWDZBQOSA-N 2 1 338.540 1.770 20 0 EDADMP COc1cc(NC(=O)C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc(OC)c1 ZINC000414760114 304137916 /nfs/dbraw/zinc/13/79/16/304137916.db2.gz XVIXJMHEJGWXPG-KBPBESRZSA-N 2 1 335.448 1.962 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000414785349 304140654 /nfs/dbraw/zinc/14/06/54/304140654.db2.gz SMVCNVVQUWZAHM-IAGOWNOFSA-N 2 1 348.491 1.885 20 0 EDADMP CC[NH2+]CC[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000414823888 304145207 /nfs/dbraw/zinc/14/52/07/304145207.db2.gz JAOYXMUDTSCPEU-UHFFFAOYSA-N 2 1 341.477 1.047 20 0 EDADMP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)CC1 ZINC000414830401 304145754 /nfs/dbraw/zinc/14/57/54/304145754.db2.gz AZEYYCGGIBTUNR-HOCLYGCPSA-N 2 1 341.496 1.530 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c1C ZINC000414991836 304148736 /nfs/dbraw/zinc/14/87/36/304148736.db2.gz BGPSAXIEZGBBJB-ZDUSSCGKSA-N 2 1 344.406 1.397 20 0 EDADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000414996404 304149112 /nfs/dbraw/zinc/14/91/12/304149112.db2.gz GQBIYJSZHLKZNK-VHSXEESVSA-N 2 1 337.212 1.869 20 0 EDADMP C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCC[N@H+]1C ZINC000415029782 304152470 /nfs/dbraw/zinc/15/24/70/304152470.db2.gz BNFUTDIVILSBAP-SMDDNHRTSA-N 2 1 348.422 1.009 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H]2CCC[NH2+]CC2)CC1 ZINC000415093923 304159201 /nfs/dbraw/zinc/15/92/01/304159201.db2.gz CVSBXABWNHLWCK-SFHVURJKSA-N 2 1 330.476 1.905 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415118126 304161321 /nfs/dbraw/zinc/16/13/21/304161321.db2.gz DRMZKIBYGSBYAU-INIZCTEOSA-N 2 1 329.404 1.361 20 0 EDADMP O=C1N[C@H]2C[N@H+](Cc3ccccc3F)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415140395 304163350 /nfs/dbraw/zinc/16/33/50/304163350.db2.gz NDZJYVUQGNKNMY-IRXDYDNUSA-N 2 1 332.423 1.546 20 0 EDADMP O=C1N[C@H]2C[N@@H+](Cc3ccccc3F)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415140395 304163352 /nfs/dbraw/zinc/16/33/52/304163352.db2.gz NDZJYVUQGNKNMY-IRXDYDNUSA-N 2 1 332.423 1.546 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000415139044 304163623 /nfs/dbraw/zinc/16/36/23/304163623.db2.gz HSKAIYYJPPGRHE-BBRMVZONSA-N 2 1 330.432 1.040 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000415148688 304165274 /nfs/dbraw/zinc/16/52/74/304165274.db2.gz LTPVNVBHSKZZTB-GJZGRUSLSA-N 2 1 346.475 1.676 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000415148688 304165276 /nfs/dbraw/zinc/16/52/76/304165276.db2.gz LTPVNVBHSKZZTB-GJZGRUSLSA-N 2 1 346.475 1.676 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)[nH+]1 ZINC000195516189 139019065 /nfs/dbraw/zinc/01/90/65/139019065.db2.gz HCDREKWMVOZUJD-BBWFWOEESA-N 2 1 346.475 1.760 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)c1 ZINC000415153205 304166147 /nfs/dbraw/zinc/16/61/47/304166147.db2.gz CMMBDIUDHQTQHK-UHFFFAOYSA-N 2 1 332.448 1.287 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@@H]1C ZINC000415155318 304166625 /nfs/dbraw/zinc/16/66/25/304166625.db2.gz VYGYLARQELGOIC-STQMWFEESA-N 2 1 330.432 1.169 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@@H]1C ZINC000415155318 304166626 /nfs/dbraw/zinc/16/66/26/304166626.db2.gz VYGYLARQELGOIC-STQMWFEESA-N 2 1 330.432 1.169 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000236630122 139027329 /nfs/dbraw/zinc/02/73/29/139027329.db2.gz OOAAYKSDIQDFLB-SFHVURJKSA-N 2 1 332.492 1.294 20 0 EDADMP COCC[NH2+]CC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000237202314 139043855 /nfs/dbraw/zinc/04/38/55/139043855.db2.gz LTKFIWSSMAWRMS-INIZCTEOSA-N 2 1 333.476 1.771 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)[C@H]3CCC[C@@H]3[NH3+])CC2)nc(C)[nH+]1 ZINC000237289571 139046755 /nfs/dbraw/zinc/04/67/55/139046755.db2.gz IABYUDNNJFIGSQ-HOTGVXAUSA-N 2 1 331.464 1.648 20 0 EDADMP Cc1cc(N2CCC(NC(=O)CC3CC[NH2+]CC3)CC2)nc(C)[nH+]1 ZINC000237785217 139060379 /nfs/dbraw/zinc/06/03/79/139060379.db2.gz VBCRCDCZXWHLPJ-UHFFFAOYSA-N 2 1 331.464 1.568 20 0 EDADMP O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)[C@H]1CNCCO1 ZINC000237911962 139063650 /nfs/dbraw/zinc/06/36/50/139063650.db2.gz XDUOSJYPNDTNRS-MRXNPFEDSA-N 2 1 326.400 1.813 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000111841996 220205526 /nfs/dbraw/zinc/20/55/26/220205526.db2.gz USZSBYMBTTYGOV-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000238141849 139069531 /nfs/dbraw/zinc/06/95/31/139069531.db2.gz JENCZLBHMGQTEH-WMZOPIPTSA-N 2 1 331.460 1.393 20 0 EDADMP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000238141849 139069532 /nfs/dbraw/zinc/06/95/32/139069532.db2.gz JENCZLBHMGQTEH-WMZOPIPTSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000245865842 139087897 /nfs/dbraw/zinc/08/78/97/139087897.db2.gz FJOOAAACGUSLNZ-SOLBZPMBSA-N 2 1 331.460 1.438 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CC(C)C)N1CCOCC1 ZINC000245884755 139088528 /nfs/dbraw/zinc/08/85/28/139088528.db2.gz CNCHISNMDRMUKC-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH2+]CC3)c2C1 ZINC000415287220 304185857 /nfs/dbraw/zinc/18/58/57/304185857.db2.gz WTBDFCDVHNCWES-AWEZNQCLSA-N 2 1 344.459 1.417 20 0 EDADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c2C1 ZINC000415299993 304188848 /nfs/dbraw/zinc/18/88/48/304188848.db2.gz ZXSDVTDMRKRPLH-UKRRQHHQSA-N 2 1 344.459 1.545 20 0 EDADMP C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000246472973 139109781 /nfs/dbraw/zinc/10/97/81/139109781.db2.gz QTHYOGQJEIASBU-SOUVJXGZSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000246472973 139109782 /nfs/dbraw/zinc/10/97/82/139109782.db2.gz QTHYOGQJEIASBU-SOUVJXGZSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000246472973 139109783 /nfs/dbraw/zinc/10/97/83/139109783.db2.gz QTHYOGQJEIASBU-SOUVJXGZSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000246472973 139109784 /nfs/dbraw/zinc/10/97/84/139109784.db2.gz QTHYOGQJEIASBU-SOUVJXGZSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000246962786 139128751 /nfs/dbraw/zinc/12/87/51/139128751.db2.gz IEDJNPWTPLNFOD-HOCLYGCPSA-N 2 1 332.448 1.331 20 0 EDADMP C[C@@H]1CC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1n1ccnc1 ZINC000246942914 139127963 /nfs/dbraw/zinc/12/79/63/139127963.db2.gz BZYNBCQJKHHKDU-ZIAGYGMSSA-N 2 1 333.436 1.487 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000247400438 139147471 /nfs/dbraw/zinc/14/74/71/139147471.db2.gz LKWPRWSTKXDHSV-HOTGVXAUSA-N 2 1 348.491 1.872 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247484610 139150231 /nfs/dbraw/zinc/15/02/31/139150231.db2.gz KIIYPBFUVXPBDS-YESZJQIVSA-N 2 1 340.512 1.659 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCO[C@H]3CCCCO3)C2)CC1 ZINC000248838291 139177213 /nfs/dbraw/zinc/17/72/13/139177213.db2.gz PHIXFZBVSTYWTJ-ROUUACIJSA-N 2 1 325.497 1.632 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCO[C@H]3CCCCO3)C2)CC1 ZINC000248838291 139177214 /nfs/dbraw/zinc/17/72/14/139177214.db2.gz PHIXFZBVSTYWTJ-ROUUACIJSA-N 2 1 325.497 1.632 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000249421358 139193130 /nfs/dbraw/zinc/19/31/30/139193130.db2.gz HMMCOSMOZRXRST-RTBURBONSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000249421358 139193131 /nfs/dbraw/zinc/19/31/31/139193131.db2.gz HMMCOSMOZRXRST-RTBURBONSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000249421358 139193132 /nfs/dbraw/zinc/19/31/32/139193132.db2.gz HMMCOSMOZRXRST-RTBURBONSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000249421358 139193133 /nfs/dbraw/zinc/19/31/33/139193133.db2.gz HMMCOSMOZRXRST-RTBURBONSA-N 2 1 345.487 1.734 20 0 EDADMP COCC1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000261540311 139208749 /nfs/dbraw/zinc/20/87/49/139208749.db2.gz FWPMVUBYLWXXIM-UHFFFAOYSA-N 2 1 331.460 1.347 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000261622146 139211999 /nfs/dbraw/zinc/21/19/99/139211999.db2.gz GFBZPSXLBOTUIM-MRXNPFEDSA-N 2 1 327.432 1.159 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000261647093 139214272 /nfs/dbraw/zinc/21/42/72/139214272.db2.gz BCDHZHOIHABMEX-MDMSPXHWSA-N 2 1 337.508 1.578 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000261647093 139214273 /nfs/dbraw/zinc/21/42/73/139214273.db2.gz BCDHZHOIHABMEX-MDMSPXHWSA-N 2 1 337.508 1.578 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248255647 284808075 /nfs/dbraw/zinc/80/80/75/284808075.db2.gz OCZKZWLVOFHXHW-QZWWFDLISA-N 2 1 327.513 1.967 20 0 EDADMP COc1cccc(C(=O)NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261864383 139232388 /nfs/dbraw/zinc/23/23/88/139232388.db2.gz CNQGZSPJJJMIRT-KSZLIROESA-N 2 1 347.459 1.172 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)CC2)cs1 ZINC000261843014 139230753 /nfs/dbraw/zinc/23/07/53/139230753.db2.gz PHDFDXDOOUBFOW-TZMCWYRMSA-N 2 1 336.505 1.859 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000261867841 139232629 /nfs/dbraw/zinc/23/26/29/139232629.db2.gz KZNXUFDXWQHVNW-CYBMUJFWSA-N 2 1 337.851 1.562 20 0 EDADMP C[N@H+](CCOc1ccc(F)cc1Cl)CC(=O)N1CC[NH2+]CC1 ZINC000262069721 139248355 /nfs/dbraw/zinc/24/83/55/139248355.db2.gz BYKYQEUVFQDOBE-UHFFFAOYSA-N 2 1 329.803 1.222 20 0 EDADMP C[N@@H+](CCOc1ccc(F)cc1Cl)CC(=O)N1CC[NH2+]CC1 ZINC000262069721 139248356 /nfs/dbraw/zinc/24/83/56/139248356.db2.gz BYKYQEUVFQDOBE-UHFFFAOYSA-N 2 1 329.803 1.222 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000415941286 251036412 /nfs/dbraw/zinc/03/64/12/251036412.db2.gz VVYQKYLEQRMCGE-PBHICJAKSA-N 2 1 348.447 1.209 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC000415942038 251036823 /nfs/dbraw/zinc/03/68/23/251036823.db2.gz IDDSFXFQDHQEPR-YOEHRIQHSA-N 2 1 332.448 1.590 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000416830412 251112353 /nfs/dbraw/zinc/11/23/53/251112353.db2.gz GXMCDSOMPJPRLD-LZWOXQAQSA-N 2 1 334.464 1.677 20 0 EDADMP CO[C@@H]1CCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000417015921 251131818 /nfs/dbraw/zinc/13/18/18/251131818.db2.gz NGXYRZNYTYJOAC-YHUYYLMFSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000417000497 251125207 /nfs/dbraw/zinc/12/52/07/251125207.db2.gz CXUJEWFEFPILDL-CRAIPNDOSA-N 2 1 330.476 1.956 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000417405367 251162567 /nfs/dbraw/zinc/16/25/67/251162567.db2.gz QDHZQXDLMSEBJQ-AWEZNQCLSA-N 2 1 328.407 1.920 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H](C)C3C[NH2+]C3)CC2)cs1 ZINC000262372339 139274023 /nfs/dbraw/zinc/27/40/23/139274023.db2.gz LWGPWSBBGAESAN-LBPRGKRZSA-N 2 1 336.505 1.635 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000417595553 251201583 /nfs/dbraw/zinc/20/15/83/251201583.db2.gz XTBXEFUWWOSRBJ-NJAFHUGGSA-N 2 1 330.476 1.758 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417608460 251204863 /nfs/dbraw/zinc/20/48/63/251204863.db2.gz ISPDBEBTBGATPY-HUUCEWRRSA-N 2 1 326.510 1.066 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](NC)c2cnn(C)c2)c1 ZINC000262413942 139277486 /nfs/dbraw/zinc/27/74/86/139277486.db2.gz QXLVJWPVZOMXCC-QGZVFWFLSA-N 2 1 329.448 1.449 20 0 EDADMP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]([NH2+]C)c2cnn(C)c2)c1 ZINC000262413942 139277487 /nfs/dbraw/zinc/27/74/87/139277487.db2.gz QXLVJWPVZOMXCC-QGZVFWFLSA-N 2 1 329.448 1.449 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]([NH2+]C)c2cnn(C)c2)c1 ZINC000262413942 139277488 /nfs/dbraw/zinc/27/74/88/139277488.db2.gz QXLVJWPVZOMXCC-QGZVFWFLSA-N 2 1 329.448 1.449 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000417673158 251222661 /nfs/dbraw/zinc/22/26/61/251222661.db2.gz VKCFCUQXMAGBNA-BBWFWOEESA-N 2 1 340.512 1.422 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)CC2)[nH+]1 ZINC000417708058 251237265 /nfs/dbraw/zinc/23/72/65/251237265.db2.gz YBHOFCLXYPVULY-UAGQMJEPSA-N 2 1 343.475 1.738 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000417740097 251251305 /nfs/dbraw/zinc/25/13/05/251251305.db2.gz YXUIXTYGCLVYAG-IRXDYDNUSA-N 2 1 345.491 1.330 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000417754929 251256577 /nfs/dbraw/zinc/25/65/77/251256577.db2.gz QJSCRQTVFJUKGD-HZPDHXFCSA-N 2 1 327.517 1.077 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC000417827139 251285698 /nfs/dbraw/zinc/28/56/98/251285698.db2.gz PDCOVLSBGAKOFW-UKRRQHHQSA-N 2 1 340.418 1.790 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC000417827139 251285702 /nfs/dbraw/zinc/28/57/02/251285702.db2.gz PDCOVLSBGAKOFW-UKRRQHHQSA-N 2 1 340.418 1.790 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417833759 251289769 /nfs/dbraw/zinc/28/97/69/251289769.db2.gz URDZFLWFRIUCIZ-JLSDUUJJSA-N 2 1 330.476 1.934 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Cc1ccc(F)cc1 ZINC000417821253 251282640 /nfs/dbraw/zinc/28/26/40/251282640.db2.gz IJLSDPZHPOXACJ-GOSISDBHSA-N 2 1 334.439 1.653 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000417873899 251308830 /nfs/dbraw/zinc/30/88/30/251308830.db2.gz MJDRQRJNDTXFAG-LULLPPNCSA-N 2 1 342.487 1.900 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[C@H]2CCC[NH2+]2)CCCO1 ZINC000418119458 251332245 /nfs/dbraw/zinc/33/22/45/251332245.db2.gz VAGKORWSUQSWPM-HZPDHXFCSA-N 2 1 326.485 1.319 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H]1C ZINC000418624165 251380481 /nfs/dbraw/zinc/38/04/81/251380481.db2.gz YLSAITNLNDGVOU-HUUCEWRRSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H]1C ZINC000418624165 251380485 /nfs/dbraw/zinc/38/04/85/251380485.db2.gz YLSAITNLNDGVOU-HUUCEWRRSA-N 2 1 326.485 1.127 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000262695475 139297057 /nfs/dbraw/zinc/29/70/57/139297057.db2.gz DDSSIJNPPMRKMY-IBGZPJMESA-N 2 1 348.491 1.769 20 0 EDADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000262729643 139299500 /nfs/dbraw/zinc/29/95/00/139299500.db2.gz BFCJTAJRZBGIJX-DLBZAZTESA-N 2 1 330.476 1.013 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262853921 139308116 /nfs/dbraw/zinc/30/81/16/139308116.db2.gz VQHREUPYOAQEBR-JKSUJKDBSA-N 2 1 333.480 1.802 20 0 EDADMP COC[C@]1(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC[NH2+]C1 ZINC000423321158 252045714 /nfs/dbraw/zinc/04/57/14/252045714.db2.gz DWXFQKSEOZFMKC-IBGZPJMESA-N 2 1 333.476 1.769 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423514811 252057843 /nfs/dbraw/zinc/05/78/43/252057843.db2.gz WQUQYXWYNBCPLG-DLBZAZTESA-N 2 1 337.489 1.819 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000424468824 252239977 /nfs/dbraw/zinc/23/99/77/252239977.db2.gz PSJMHMNYROSBBY-WBVHZDCISA-N 2 1 344.459 1.335 20 0 EDADMP O=C(NCC1=CC[NH2+]CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424477574 252247068 /nfs/dbraw/zinc/24/70/68/252247068.db2.gz LVLGWAPDOKEGGJ-RBUKOAKNSA-N 2 1 340.471 1.822 20 0 EDADMP COCC[NH2+]CCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424482671 252249846 /nfs/dbraw/zinc/24/98/46/252249846.db2.gz UZQCFZHVAQQVRU-ZWKOTPCHSA-N 2 1 346.475 1.138 20 0 EDADMP C[NH+](C)C1CCN(CCNCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425899361 252313527 /nfs/dbraw/zinc/31/35/27/252313527.db2.gz KZQJOPQHLLREBI-UHFFFAOYSA-N 2 1 335.496 1.257 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000349931306 285057654 /nfs/dbraw/zinc/05/76/54/285057654.db2.gz HGKRKTCTDFJREA-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000112435622 220326647 /nfs/dbraw/zinc/32/66/47/220326647.db2.gz JOEQPHZKVRHBHM-HZPDHXFCSA-N 2 1 342.528 1.905 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000112435622 220326649 /nfs/dbraw/zinc/32/66/49/220326649.db2.gz JOEQPHZKVRHBHM-HZPDHXFCSA-N 2 1 342.528 1.905 20 0 EDADMP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)CC1 ZINC000422025977 285187486 /nfs/dbraw/zinc/18/74/86/285187486.db2.gz UDDMNLMCLLRNAH-IBGZPJMESA-N 2 1 348.535 1.632 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000263676359 139351996 /nfs/dbraw/zinc/35/19/96/139351996.db2.gz MLSWOPKWKBUHAO-IBGZPJMESA-N 2 1 346.519 1.742 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CSC ZINC000175085683 285245330 /nfs/dbraw/zinc/24/53/30/285245330.db2.gz NQGHEOZQSDOABZ-LSDHHAIUSA-N 2 1 330.542 1.795 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2n(n1)CCCO2 ZINC000345729360 285249135 /nfs/dbraw/zinc/24/91/35/285249135.db2.gz ILCTYWKSAAEPIC-OAHLLOKOSA-N 2 1 349.479 1.154 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000490436336 255087830 /nfs/dbraw/zinc/08/78/30/255087830.db2.gz FQDPCZUMJLZUBO-HNNXBMFYSA-N 2 1 331.526 1.464 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496116954 255354412 /nfs/dbraw/zinc/35/44/12/255354412.db2.gz AHHSKCGXPPLAFU-BZUAXINKSA-N 2 1 343.512 1.924 20 0 EDADMP C[NH+]1CCC([NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000496127216 255356035 /nfs/dbraw/zinc/35/60/35/255356035.db2.gz HVOWAAQDFKRGRD-MRXNPFEDSA-N 2 1 341.496 1.678 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496348118 255384730 /nfs/dbraw/zinc/38/47/30/255384730.db2.gz QFUNVQNBZXBMPI-CABCVRRESA-N 2 1 329.485 1.536 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496348118 255384731 /nfs/dbraw/zinc/38/47/31/255384731.db2.gz QFUNVQNBZXBMPI-CABCVRRESA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496348118 255384732 /nfs/dbraw/zinc/38/47/32/255384732.db2.gz QFUNVQNBZXBMPI-CABCVRRESA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496348118 255384733 /nfs/dbraw/zinc/38/47/33/255384733.db2.gz QFUNVQNBZXBMPI-CABCVRRESA-N 2 1 329.485 1.536 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496473838 255396072 /nfs/dbraw/zinc/39/60/72/255396072.db2.gz KVLCWIMUZLVUKN-QGZVFWFLSA-N 2 1 325.453 1.042 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496473838 255396073 /nfs/dbraw/zinc/39/60/73/255396073.db2.gz KVLCWIMUZLVUKN-QGZVFWFLSA-N 2 1 325.453 1.042 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C[NH+]1CCCCC1 ZINC000154788417 224305862 /nfs/dbraw/zinc/30/58/62/224305862.db2.gz FYBSIZMWMOUNKF-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP CC[C@@]1(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]C1 ZINC000119629505 221363317 /nfs/dbraw/zinc/36/33/17/221363317.db2.gz BVXZJPAZWSTYGY-LJQANCHMSA-N 2 1 344.459 1.402 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119727203 221386638 /nfs/dbraw/zinc/38/66/38/221386638.db2.gz HMLYRPMBMRWJON-ZDUSSCGKSA-N 2 1 337.489 1.872 20 0 EDADMP COc1ccc(NC(=O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000264287792 139393828 /nfs/dbraw/zinc/39/38/28/139393828.db2.gz LQKQUBKWDPGPEY-HNNXBMFYSA-N 2 1 349.475 1.658 20 0 EDADMP CC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cc(C)sc2C)CC1 ZINC000271668652 535473887 /nfs/dbraw/zinc/47/38/87/535473887.db2.gz FXWWXNHXPILJLK-UHFFFAOYSA-N 2 1 345.534 1.717 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000415907579 304284870 /nfs/dbraw/zinc/28/48/70/304284870.db2.gz BKUTZSNSHZREJP-AWEZNQCLSA-N 2 1 348.447 1.507 20 0 EDADMP C[C@H](CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000167320737 533627716 /nfs/dbraw/zinc/62/77/16/533627716.db2.gz JASGRLGLNHZHTH-SJLPKXTDSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+](C)[C@H](CC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000416143581 304291691 /nfs/dbraw/zinc/29/16/91/304291691.db2.gz GXQJBAVARRYNJF-QGZVFWFLSA-N 2 1 333.476 1.906 20 0 EDADMP C[NH+](C)[C@H](CC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000416143581 304291694 /nfs/dbraw/zinc/29/16/94/304291694.db2.gz GXQJBAVARRYNJF-QGZVFWFLSA-N 2 1 333.476 1.906 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000271913443 140371491 /nfs/dbraw/zinc/37/14/91/140371491.db2.gz QTHPRSJBBYPDFI-MRXNPFEDSA-N 2 1 348.491 1.263 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C1 ZINC000271993427 140384558 /nfs/dbraw/zinc/38/45/58/140384558.db2.gz SCAVQVPIMODSIX-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000271993427 140384560 /nfs/dbraw/zinc/38/45/60/140384560.db2.gz SCAVQVPIMODSIX-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000271993427 140384561 /nfs/dbraw/zinc/38/45/61/140384561.db2.gz SCAVQVPIMODSIX-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000332276106 141154512 /nfs/dbraw/zinc/15/45/12/141154512.db2.gz QIZXEVLHDNPAPE-BZUAXINKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332276106 141154513 /nfs/dbraw/zinc/15/45/13/141154513.db2.gz QIZXEVLHDNPAPE-BZUAXINKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332276106 141154514 /nfs/dbraw/zinc/15/45/14/141154514.db2.gz QIZXEVLHDNPAPE-BZUAXINKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CCC(C)CC1 ZINC000332930366 141245457 /nfs/dbraw/zinc/24/54/57/141245457.db2.gz SURYQMFLCJOKII-HOTGVXAUSA-N 2 1 333.480 1.865 20 0 EDADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333560474 141337103 /nfs/dbraw/zinc/33/71/03/141337103.db2.gz QPBOZOCKOPJKDJ-IHXKFAGKSA-N 2 1 334.508 1.733 20 0 EDADMP C[C@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000333587484 141341196 /nfs/dbraw/zinc/34/11/96/141341196.db2.gz OEHOLWTUHZZKBL-LSDHHAIUSA-N 2 1 336.480 1.023 20 0 EDADMP C[C@@H]1NC(=O)N(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000333650594 141350554 /nfs/dbraw/zinc/35/05/54/141350554.db2.gz USKVVWDVYQFYJL-ZDUSSCGKSA-N 2 1 345.447 1.339 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000333806186 141385083 /nfs/dbraw/zinc/38/50/83/141385083.db2.gz IOIAFQBNYFEIGN-BFYDXBDKSA-N 2 1 338.496 1.399 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000338762260 141877659 /nfs/dbraw/zinc/87/76/59/141877659.db2.gz NPGKSKHQRZDSFB-JKSUJKDBSA-N 2 1 339.867 1.780 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000338762260 141877660 /nfs/dbraw/zinc/87/76/60/141877660.db2.gz NPGKSKHQRZDSFB-JKSUJKDBSA-N 2 1 339.867 1.780 20 0 EDADMP Cc1ccc(CCC[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000339407837 142040269 /nfs/dbraw/zinc/04/02/69/142040269.db2.gz PAMGIXHQGNNLKB-RTBURBONSA-N 2 1 344.503 1.903 20 0 EDADMP CC[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)[N@H+]1CCc2ccccc2C1 ZINC000345694599 143122295 /nfs/dbraw/zinc/12/22/95/143122295.db2.gz ACMXYMZJCLXDFZ-LSDHHAIUSA-N 2 1 325.403 1.922 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000346344313 143194305 /nfs/dbraw/zinc/19/43/05/143194305.db2.gz DASOVIVZNLCQRM-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC000346344313 143194307 /nfs/dbraw/zinc/19/43/07/143194307.db2.gz DASOVIVZNLCQRM-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC(=O)N(C2CC2)[C@@H]1c1ccnn1C ZINC000346717980 143237158 /nfs/dbraw/zinc/23/71/58/143237158.db2.gz XBIUWXRMHBOJTA-YOEHRIQHSA-N 2 1 328.420 1.019 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000347088115 143281068 /nfs/dbraw/zinc/28/10/68/143281068.db2.gz CKFHKWHQSYPVNG-GFCCVEGCSA-N 2 1 345.365 1.714 20 0 EDADMP Cc1ccc(NC(=O)[C@H](C)C[NH+]2CCOCC2)c(OCC[NH+](C)C)c1 ZINC000347698628 143351123 /nfs/dbraw/zinc/35/11/23/143351123.db2.gz INBQQXUAAFZRHX-MRXNPFEDSA-N 2 1 349.475 1.842 20 0 EDADMP COC1(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)CCCC1 ZINC000361554536 292111585 /nfs/dbraw/zinc/11/15/85/292111585.db2.gz UCEBECCTLNZPOI-SFHVURJKSA-N 2 1 339.524 1.672 20 0 EDADMP CCOC(=O)c1nn(C)cc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000369720266 155149396 /nfs/dbraw/zinc/14/93/96/155149396.db2.gz GKYUTGBTVOTEJT-UHFFFAOYSA-N 2 1 334.464 1.905 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH2+]C(C)(C)C2)[C@H](C)C1 ZINC000417670595 286058596 /nfs/dbraw/zinc/05/85/96/286058596.db2.gz OJUKUQJRKAZFGC-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000369893186 155220773 /nfs/dbraw/zinc/22/07/73/155220773.db2.gz OUCDUBRPJZFVCH-HRCADAONSA-N 2 1 333.480 1.960 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NCC[N@H+](C)C1CC1)[NH+](C)C ZINC000352666402 149109417 /nfs/dbraw/zinc/10/94/17/149109417.db2.gz VVUCKRNDRNUDBF-INIZCTEOSA-N 2 1 334.464 1.691 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NCC[N@@H+](C)C1CC1)[NH+](C)C ZINC000352666402 149109419 /nfs/dbraw/zinc/10/94/19/149109419.db2.gz VVUCKRNDRNUDBF-INIZCTEOSA-N 2 1 334.464 1.691 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC000416961895 304355947 /nfs/dbraw/zinc/35/59/47/304355947.db2.gz SSOCKHPKPGTOFS-MRXNPFEDSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC000353358467 149378904 /nfs/dbraw/zinc/37/89/04/149378904.db2.gz XVNUVTQAJURNJW-CMJOXMDJSA-N 2 1 338.517 1.949 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000369930179 155241186 /nfs/dbraw/zinc/24/11/86/155241186.db2.gz XBXGJPNFGLOULT-SJORKVTESA-N 2 1 335.492 1.717 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NC(C)(C)C[NH3+])cc2)C[C@H](C)O1 ZINC000416974947 304359115 /nfs/dbraw/zinc/35/91/15/304359115.db2.gz YFNPILBEECCAOF-GASCZTMLSA-N 2 1 348.491 1.832 20 0 EDADMP O=C1OCC[C@H]2CC[NH+](CCCC[N@@H+]3CC[C@H]4CCOC(=O)[C@@H]43)[C@@H]12 ZINC000369974931 155261795 /nfs/dbraw/zinc/26/17/95/155261795.db2.gz QPLXZPDKVCPMSZ-QKPAOTATSA-N 2 1 336.432 1.041 20 0 EDADMP O=C1OCC[C@@H]2CC[NH+](CCCC[N@@H+]3CC[C@@H]4CCOC(=O)[C@@H]43)[C@@H]12 ZINC000369974931 155261798 /nfs/dbraw/zinc/26/17/98/155261798.db2.gz QPLXZPDKVCPMSZ-QKPAOTATSA-N 2 1 336.432 1.041 20 0 EDADMP O=C1OCC[C@@H]2CC[NH+](CCCC[N@H+]3CC[C@@H]4CCOC(=O)[C@@H]43)[C@@H]12 ZINC000369974931 155261799 /nfs/dbraw/zinc/26/17/99/155261799.db2.gz QPLXZPDKVCPMSZ-QKPAOTATSA-N 2 1 336.432 1.041 20 0 EDADMP Cc1nn(C)c2ncc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc12 ZINC000355206396 150164934 /nfs/dbraw/zinc/16/49/34/150164934.db2.gz AOPKTSRTZPHFKO-KBAYOESNSA-N 2 1 343.475 1.960 20 0 EDADMP Cc1nn(C)c2ncc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc12 ZINC000355206396 150164936 /nfs/dbraw/zinc/16/49/36/150164936.db2.gz AOPKTSRTZPHFKO-KBAYOESNSA-N 2 1 343.475 1.960 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000355275484 150195902 /nfs/dbraw/zinc/19/59/02/150195902.db2.gz AVBRTAQUJQTJTL-DLBZAZTESA-N 2 1 332.452 1.829 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@H]2C1 ZINC000355382472 150243997 /nfs/dbraw/zinc/24/39/97/150243997.db2.gz XFKSSUMYGYFJEJ-ZWKOTPCHSA-N 2 1 331.460 1.683 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CCN1C1CC[NH+](C)CC1 ZINC000355499988 150293726 /nfs/dbraw/zinc/29/37/26/150293726.db2.gz CLICHXGBAYCULI-WBVHZDCISA-N 2 1 345.491 1.387 20 0 EDADMP CCC[NH2+]CCNC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417039318 304364939 /nfs/dbraw/zinc/36/49/39/304364939.db2.gz KDWYXIBSUNNRJT-QGZVFWFLSA-N 2 1 347.507 1.496 20 0 EDADMP CSC1(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC[NH+](C)CC1 ZINC000357873445 151179964 /nfs/dbraw/zinc/17/99/64/151179964.db2.gz UEKDIMYNHHUAKL-GJZGRUSLSA-N 2 1 342.553 1.842 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000357972942 151216307 /nfs/dbraw/zinc/21/63/07/151216307.db2.gz KQEUFOCOCDBVCF-GOEBONIOSA-N 2 1 330.542 1.843 20 0 EDADMP C[C@@H]1CN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000417085199 304371539 /nfs/dbraw/zinc/37/15/39/304371539.db2.gz BQZXHYNYGSTJSQ-OAHLLOKOSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@@H+]1CCc2sccc2C1 ZINC000417114334 304373561 /nfs/dbraw/zinc/37/35/61/304373561.db2.gz OAILZVLNKVRRFN-NFAWXSAZSA-N 2 1 334.489 1.498 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@H+]1CCc2sccc2C1 ZINC000417114334 304373563 /nfs/dbraw/zinc/37/35/63/304373563.db2.gz OAILZVLNKVRRFN-NFAWXSAZSA-N 2 1 334.489 1.498 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C12CCOCC2 ZINC000186337926 286279293 /nfs/dbraw/zinc/27/92/93/286279293.db2.gz DPWUDDJGJXOBKK-HZPDHXFCSA-N 2 1 326.481 1.661 20 0 EDADMP COCC[NH2+]CCNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000417120474 304374824 /nfs/dbraw/zinc/37/48/24/304374824.db2.gz VKFWHIQHRQZIOB-CYBMUJFWSA-N 2 1 340.493 1.030 20 0 EDADMP COCC[NH2+]CCNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000417120474 304374826 /nfs/dbraw/zinc/37/48/26/304374826.db2.gz VKFWHIQHRQZIOB-CYBMUJFWSA-N 2 1 340.493 1.030 20 0 EDADMP CC(C)CC[C@@H](O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000360686987 152153126 /nfs/dbraw/zinc/15/31/26/152153126.db2.gz ANJMZEXIDODGBE-MOPGFXCFSA-N 2 1 341.540 1.510 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417144520 304377553 /nfs/dbraw/zinc/37/75/53/304377553.db2.gz IFVWEGDIOSQODW-RYUDHWBXSA-N 2 1 340.418 1.964 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000360874452 152237732 /nfs/dbraw/zinc/23/77/32/152237732.db2.gz TZVSATQMYZUXLB-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP C[NH+]1CCC(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000360890434 152242787 /nfs/dbraw/zinc/24/27/87/152242787.db2.gz YNNBUJXYPNTCSC-DLBZAZTESA-N 2 1 338.496 1.271 20 0 EDADMP Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CC(=O)N2CCN(C)CC2)n1 ZINC000361107061 152307755 /nfs/dbraw/zinc/30/77/55/152307755.db2.gz VYDKZCDEFUBZAP-KRWDZBQOSA-N 2 1 333.480 1.128 20 0 EDADMP Cc1cc(C)n(C[C@@H]2CCCCN2CC(=O)N2CCN(C)CC2)n1 ZINC000361107061 152307756 /nfs/dbraw/zinc/30/77/56/152307756.db2.gz VYDKZCDEFUBZAP-KRWDZBQOSA-N 2 1 333.480 1.128 20 0 EDADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000361425010 152390956 /nfs/dbraw/zinc/39/09/56/152390956.db2.gz MFOSJGWEBHSMKR-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC000363703255 153034543 /nfs/dbraw/zinc/03/45/43/153034543.db2.gz FCLZGGGYMOLDKR-NXHRZFHOSA-N 2 1 346.475 1.177 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC000363703255 153034545 /nfs/dbraw/zinc/03/45/45/153034545.db2.gz FCLZGGGYMOLDKR-NXHRZFHOSA-N 2 1 346.475 1.177 20 0 EDADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000364089135 153142083 /nfs/dbraw/zinc/14/20/83/153142083.db2.gz AEDJHWOHRHAUEP-NOLJZWGESA-N 2 1 333.480 1.955 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)C[C@@H]1CC ZINC000364219825 153178763 /nfs/dbraw/zinc/17/87/63/153178763.db2.gz XHADXPPGDVYCNA-IRXDYDNUSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@@H]1CCC[C@](CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)([NH+](C)C)C1 ZINC000417210397 304384658 /nfs/dbraw/zinc/38/46/58/304384658.db2.gz DMFSGCRTNYRBGV-PVAVHDDUSA-N 2 1 328.476 1.840 20 0 EDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CS1 ZINC000365178435 153444250 /nfs/dbraw/zinc/44/42/50/153444250.db2.gz NPEWELNFXHGXLP-ULQDDVLXSA-N 2 1 327.538 1.513 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1 ZINC000367109408 154010633 /nfs/dbraw/zinc/01/06/33/154010633.db2.gz INOGWCLZJSVCTD-ROUUACIJSA-N 2 1 331.460 1.731 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1 ZINC000367109408 154010634 /nfs/dbraw/zinc/01/06/34/154010634.db2.gz INOGWCLZJSVCTD-ROUUACIJSA-N 2 1 331.460 1.731 20 0 EDADMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000367139694 154019855 /nfs/dbraw/zinc/01/98/55/154019855.db2.gz JVBCBEPABSDMEX-TWMKSMIVSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000367139694 154019856 /nfs/dbraw/zinc/01/98/56/154019856.db2.gz JVBCBEPABSDMEX-TWMKSMIVSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)C1 ZINC000367139694 154019858 /nfs/dbraw/zinc/01/98/58/154019858.db2.gz JVBCBEPABSDMEX-TWMKSMIVSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)C1 ZINC000367139694 154019860 /nfs/dbraw/zinc/01/98/60/154019860.db2.gz JVBCBEPABSDMEX-TWMKSMIVSA-N 2 1 338.496 1.268 20 0 EDADMP Cc1c([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cnn1C ZINC000367334745 154080622 /nfs/dbraw/zinc/08/06/22/154080622.db2.gz QJTVCOFVZVSGIN-GOSISDBHSA-N 2 1 347.507 1.854 20 0 EDADMP Cc1c([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cnn1C ZINC000367334745 154080624 /nfs/dbraw/zinc/08/06/24/154080624.db2.gz QJTVCOFVZVSGIN-GOSISDBHSA-N 2 1 347.507 1.854 20 0 EDADMP COC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)nc1 ZINC000367545772 154169467 /nfs/dbraw/zinc/16/94/67/154169467.db2.gz YNNQOFGSRPUNSI-SFHVURJKSA-N 2 1 346.475 1.469 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)nc1 ZINC000367545772 154169470 /nfs/dbraw/zinc/16/94/70/154169470.db2.gz YNNQOFGSRPUNSI-SFHVURJKSA-N 2 1 346.475 1.469 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367588725 154189028 /nfs/dbraw/zinc/18/90/28/154189028.db2.gz NPAUENKKTOCIMH-BRWVUGGUSA-N 2 1 337.489 1.557 20 0 EDADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000367700890 154235011 /nfs/dbraw/zinc/23/50/11/154235011.db2.gz DUFUPKNPCYDEMQ-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000367700890 154235015 /nfs/dbraw/zinc/23/50/15/154235015.db2.gz DUFUPKNPCYDEMQ-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(C)(C)CN2CCn3ccnc3C2)C1 ZINC000367894766 154316319 /nfs/dbraw/zinc/31/63/19/154316319.db2.gz NZUWVTKIHBKYDK-MRXNPFEDSA-N 2 1 347.507 1.573 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C1 ZINC000367894766 154316323 /nfs/dbraw/zinc/31/63/23/154316323.db2.gz NZUWVTKIHBKYDK-MRXNPFEDSA-N 2 1 347.507 1.573 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C1 ZINC000367894766 154316325 /nfs/dbraw/zinc/31/63/25/154316325.db2.gz NZUWVTKIHBKYDK-MRXNPFEDSA-N 2 1 347.507 1.573 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C1 ZINC000367894766 154316326 /nfs/dbraw/zinc/31/63/26/154316326.db2.gz NZUWVTKIHBKYDK-MRXNPFEDSA-N 2 1 347.507 1.573 20 0 EDADMP C[N@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000369648167 155119966 /nfs/dbraw/zinc/11/99/66/155119966.db2.gz NTWTUOOGAYRBEZ-NEPJUHHUSA-N 2 1 330.354 1.541 20 0 EDADMP C[N@@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000369648167 155119967 /nfs/dbraw/zinc/11/99/67/155119967.db2.gz NTWTUOOGAYRBEZ-NEPJUHHUSA-N 2 1 330.354 1.541 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000369658808 155123113 /nfs/dbraw/zinc/12/31/13/155123113.db2.gz DUTNYMJQVRPGHC-IBGZPJMESA-N 2 1 344.503 1.600 20 0 EDADMP Cn1ccnc(NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1=O ZINC000371883849 156149775 /nfs/dbraw/zinc/14/97/75/156149775.db2.gz KZJWHLDXGOVFFS-UHFFFAOYSA-N 2 1 333.480 1.389 20 0 EDADMP C[C@H]1CN(CC[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000374290992 157228706 /nfs/dbraw/zinc/22/87/06/157228706.db2.gz AORUAOOQRWXUND-INIZCTEOSA-N 2 1 325.497 1.282 20 0 EDADMP C[C@H]1CN(CC[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000374290992 157228709 /nfs/dbraw/zinc/22/87/09/157228709.db2.gz AORUAOOQRWXUND-INIZCTEOSA-N 2 1 325.497 1.282 20 0 EDADMP COc1ccc([C@@H]2[C@H](CNC(=O)[C@H]3CSC[NH2+]3)CCC[N@@H+]2C)cc1 ZINC000374460739 157297903 /nfs/dbraw/zinc/29/79/03/157297903.db2.gz IWOXIIDKQWEJET-USXIJHARSA-N 2 1 349.500 1.857 20 0 EDADMP COc1ccc([C@@H]2[C@H](CNC(=O)[C@H]3CSC[NH2+]3)CCC[N@H+]2C)cc1 ZINC000374460739 157297907 /nfs/dbraw/zinc/29/79/07/157297907.db2.gz IWOXIIDKQWEJET-USXIJHARSA-N 2 1 349.500 1.857 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000377966709 158041675 /nfs/dbraw/zinc/04/16/75/158041675.db2.gz YEBXPQVUBPLFLV-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000377966709 158041677 /nfs/dbraw/zinc/04/16/77/158041677.db2.gz YEBXPQVUBPLFLV-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[C@@H](NCc2nnc3n2C[C@H](C(F)(F)F)CC3)CC[N@H+]1C ZINC000378181877 158102624 /nfs/dbraw/zinc/10/26/24/158102624.db2.gz FMQXMVMILQXKLY-UTUOFQBUSA-N 2 1 331.386 1.975 20 0 EDADMP CN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364231500 162322090 /nfs/dbraw/zinc/32/20/90/162322090.db2.gz MFLOAXXMQOSHPN-QGZVFWFLSA-N 2 1 330.476 1.997 20 0 EDADMP CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364231500 162322093 /nfs/dbraw/zinc/32/20/93/162322093.db2.gz MFLOAXXMQOSHPN-QGZVFWFLSA-N 2 1 330.476 1.997 20 0 EDADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCC[NH+]1CCOCC1 ZINC000073426306 287260087 /nfs/dbraw/zinc/26/00/87/287260087.db2.gz KFZNXJPSQYQOBS-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCCC[NH+]1CCOCC1 ZINC000073426306 287260088 /nfs/dbraw/zinc/26/00/88/287260088.db2.gz KFZNXJPSQYQOBS-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000158695768 225067484 /nfs/dbraw/zinc/06/74/84/225067484.db2.gz JYGNQVXCGISLMR-QGZVFWFLSA-N 2 1 340.512 1.469 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418325038 304479920 /nfs/dbraw/zinc/47/99/20/304479920.db2.gz WJFBWZGOGFKGBR-SFHVURJKSA-N 2 1 330.476 1.556 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cn1 ZINC000164805365 226099955 /nfs/dbraw/zinc/09/99/55/226099955.db2.gz RXXUGAGXIFLSSR-OHFALNGGSA-N 2 1 325.416 1.565 20 0 EDADMP CO[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665761082 452337323 /nfs/dbraw/zinc/33/73/23/452337323.db2.gz WKGOWZACHISEPC-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP C[N@@H+](CCN1CC[NH+](CCC2OCCO2)CC1)Cc1ccccc1 ZINC000124247262 222398571 /nfs/dbraw/zinc/39/85/71/222398571.db2.gz CVCXDVZXNCYOBD-UHFFFAOYSA-N 2 1 333.476 1.499 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000194134515 273000657 /nfs/dbraw/zinc/00/06/57/273000657.db2.gz MHAXDGRRCRGDKV-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000194134515 273000658 /nfs/dbraw/zinc/00/06/58/273000658.db2.gz MHAXDGRRCRGDKV-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000194134515 273000659 /nfs/dbraw/zinc/00/06/59/273000659.db2.gz MHAXDGRRCRGDKV-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000274526995 268157845 /nfs/dbraw/zinc/15/78/45/268157845.db2.gz AMZCKXWJFMQBOK-UHFFFAOYSA-N 2 1 345.491 1.146 20 0 EDADMP C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274783170 268205667 /nfs/dbraw/zinc/20/56/67/268205667.db2.gz PRBWEENHXURJEL-DOTOQJQBSA-N 2 1 341.459 1.640 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000274195374 273076745 /nfs/dbraw/zinc/07/67/45/273076745.db2.gz PIIICVWGHADSAC-QAPCUYQASA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000274195374 273076746 /nfs/dbraw/zinc/07/67/46/273076746.db2.gz PIIICVWGHADSAC-QAPCUYQASA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[N@@H+](C)C1CC1 ZINC000274195374 273076747 /nfs/dbraw/zinc/07/67/47/273076747.db2.gz PIIICVWGHADSAC-QAPCUYQASA-N 2 1 330.476 1.900 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000283961118 274027355 /nfs/dbraw/zinc/02/73/55/274027355.db2.gz JZJHKMOLUBVXSD-WBVHZDCISA-N 2 1 348.491 1.252 20 0 EDADMP CCCCCC[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000365423166 275970171 /nfs/dbraw/zinc/97/01/71/275970171.db2.gz WNQVUPZPXITFPC-KRWDZBQOSA-N 2 1 328.497 1.477 20 0 EDADMP CCN(C(=O)C[NH2+]CCOC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368453922 276061783 /nfs/dbraw/zinc/06/17/83/276061783.db2.gz NJOVKQRLUOZKLQ-SJLPKXTDSA-N 2 1 333.476 1.906 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000356996068 276123104 /nfs/dbraw/zinc/12/31/04/276123104.db2.gz GOUXFFMKXLUWOW-UHFFFAOYSA-N 2 1 332.452 1.636 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000416995222 276196963 /nfs/dbraw/zinc/19/69/63/276196963.db2.gz SQWUEQSYXBQXBG-JKSUJKDBSA-N 2 1 347.507 1.359 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCOC[C@@H]1C ZINC000433450987 276370911 /nfs/dbraw/zinc/37/09/11/276370911.db2.gz AXAPUVZKNACQFA-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000355193674 276840435 /nfs/dbraw/zinc/84/04/35/276840435.db2.gz WATYMPWMJKMBEE-WCVJEAGWSA-N 2 1 332.448 1.471 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)n1C ZINC000333399225 276899168 /nfs/dbraw/zinc/89/91/68/276899168.db2.gz PRZMJXSIPUIWAG-ZBFHGGJFSA-N 2 1 348.495 1.550 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(OCC[NH3+])cc3)C2)C1 ZINC000415946052 277085629 /nfs/dbraw/zinc/08/56/29/277085629.db2.gz MOBPVGUDDJRVRI-SFHVURJKSA-N 2 1 332.448 1.974 20 0 EDADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369028038 277150455 /nfs/dbraw/zinc/15/04/55/277150455.db2.gz NDYPKEYTZUSUJM-JKSUJKDBSA-N 2 1 338.496 1.412 20 0 EDADMP COCCC[N@H+](C)CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790786 277205613 /nfs/dbraw/zinc/20/56/13/277205613.db2.gz XYOFULPXMUCNER-HKUYNNGSSA-N 2 1 333.476 1.800 20 0 EDADMP COCCC[N@@H+](C)CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790786 277205614 /nfs/dbraw/zinc/20/56/14/277205614.db2.gz XYOFULPXMUCNER-HKUYNNGSSA-N 2 1 333.476 1.800 20 0 EDADMP CO[C@H]1C[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000451850966 277350379 /nfs/dbraw/zinc/35/03/79/277350379.db2.gz MEKJZDHVTFVHMM-IRXDYDNUSA-N 2 1 335.492 1.619 20 0 EDADMP C[C@@H]([NH2+]CCCNS(C)(=O)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272385461 278345947 /nfs/dbraw/zinc/34/59/47/278345947.db2.gz CEMZRMXWDGLNHD-WBVHZDCISA-N 2 1 339.505 1.426 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000119711559 288106396 /nfs/dbraw/zinc/10/63/96/288106396.db2.gz PITWXLSNTFCBSO-XJKCOSOUSA-N 2 1 325.478 1.195 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000372750856 279181410 /nfs/dbraw/zinc/18/14/10/279181410.db2.gz LEUOYAQKTBUFFE-GOSISDBHSA-N 2 1 337.508 1.964 20 0 EDADMP CC[NH+]1CCCN(c2cncc(N3CCC[N@H+](CC)CC3)n2)CC1 ZINC000342205515 279291837 /nfs/dbraw/zinc/29/18/37/279291837.db2.gz MSWZVIICZRCMQB-UHFFFAOYSA-N 2 1 332.496 1.541 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000237603947 288151746 /nfs/dbraw/zinc/15/17/46/288151746.db2.gz LYHCRDQTHQJEME-CYGHRXIMSA-N 2 1 337.508 1.852 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C[C@H](C)O1 ZINC000363834550 288152775 /nfs/dbraw/zinc/15/27/75/288152775.db2.gz WGSUHYKPPNDTOH-FCEWJHQRSA-N 2 1 349.519 1.676 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCN1CCOC1=O ZINC000364457864 288205661 /nfs/dbraw/zinc/20/56/61/288205661.db2.gz LQUXZRLAFISWHL-BZUAXINKSA-N 2 1 325.453 1.308 20 0 EDADMP O=C1OCC[C@@H]2CC[N@@H+](CCCC[NH+]3CC[C@@H]4CCOC(=O)[C@H]43)[C@@H]12 ZINC000369974933 280307423 /nfs/dbraw/zinc/30/74/23/280307423.db2.gz QPLXZPDKVCPMSZ-SYMSYNOKSA-N 2 1 336.432 1.041 20 0 EDADMP O=C1OCC[C@@H]2CC[NH+](CCCC[N@@H+]3CC[C@@H]4CCOC(=O)[C@H]43)[C@@H]12 ZINC000369974933 280307426 /nfs/dbraw/zinc/30/74/26/280307426.db2.gz QPLXZPDKVCPMSZ-SYMSYNOKSA-N 2 1 336.432 1.041 20 0 EDADMP O=C1OCC[C@@H]2CC[NH+](CCCC[N@H+]3CC[C@@H]4CCOC(=O)[C@H]43)[C@@H]12 ZINC000369974933 280307428 /nfs/dbraw/zinc/30/74/28/280307428.db2.gz QPLXZPDKVCPMSZ-SYMSYNOKSA-N 2 1 336.432 1.041 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000287676492 288292893 /nfs/dbraw/zinc/29/28/93/288292893.db2.gz IYUJKUFAZGEDRB-RYQLBKOJSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000287676492 288292894 /nfs/dbraw/zinc/29/28/94/288292894.db2.gz IYUJKUFAZGEDRB-RYQLBKOJSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360748575 288301924 /nfs/dbraw/zinc/30/19/24/288301924.db2.gz WZGQYPLGMXPOOV-IIAWOOMASA-N 2 1 326.510 1.302 20 0 EDADMP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000287778964 288321809 /nfs/dbraw/zinc/32/18/09/288321809.db2.gz IFWODVRGEYCKDU-HNNXBMFYSA-N 2 1 346.475 1.282 20 0 EDADMP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000287778964 288321811 /nfs/dbraw/zinc/32/18/11/288321811.db2.gz IFWODVRGEYCKDU-HNNXBMFYSA-N 2 1 346.475 1.282 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000290219810 288860400 /nfs/dbraw/zinc/86/04/00/288860400.db2.gz SVQMDLNTVZUOLD-NEWSRXKRSA-N 2 1 344.503 1.701 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)CCOCC1 ZINC000364208472 289047445 /nfs/dbraw/zinc/04/74/45/289047445.db2.gz JTTLMMSFFJADPP-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH+](C)C1(CNC(=O)NCC[N@H+](C)C2CCCC2)CCOCC1 ZINC000114027073 289050472 /nfs/dbraw/zinc/05/04/72/289050472.db2.gz JIOJUUJZONRSMO-UHFFFAOYSA-N 2 1 326.485 1.271 20 0 EDADMP CS[C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1[NH+](C)C ZINC000291828774 289191280 /nfs/dbraw/zinc/19/12/80/289191280.db2.gz DOLKZNUPQQNGPR-GJZGRUSLSA-N 2 1 338.477 1.388 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000362945499 289226108 /nfs/dbraw/zinc/22/61/08/289226108.db2.gz SOZZYWVNNRWXME-KRWDZBQOSA-N 2 1 333.476 1.715 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1OCCc2sccc21 ZINC000292533658 289374387 /nfs/dbraw/zinc/37/43/87/289374387.db2.gz XGQGRVMDZUAXOR-GUYCJALGSA-N 2 1 337.489 1.504 20 0 EDADMP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000454714031 290234259 /nfs/dbraw/zinc/23/42/59/290234259.db2.gz CKYAVSXBXRIRBO-FJIDUMEYSA-N 2 1 328.460 1.777 20 0 EDADMP C[NH+]1CC[C@H]2CN(C(=O)N[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)C[C@H]21 ZINC000454714031 290234262 /nfs/dbraw/zinc/23/42/62/290234262.db2.gz CKYAVSXBXRIRBO-FJIDUMEYSA-N 2 1 328.460 1.777 20 0 EDADMP C[NH+]1CC[C@H]2CN(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)C[C@H]21 ZINC000454714031 290234264 /nfs/dbraw/zinc/23/42/64/290234264.db2.gz CKYAVSXBXRIRBO-FJIDUMEYSA-N 2 1 328.460 1.777 20 0 EDADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCS(=O)(=O)N(C)C)C1 ZINC000336872436 290392453 /nfs/dbraw/zinc/39/24/53/290392453.db2.gz PLTZCFCOSCNKQB-IRXDYDNUSA-N 2 1 345.553 1.854 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCS(=O)(=O)N(C)C)C1 ZINC000336872436 290392454 /nfs/dbraw/zinc/39/24/54/290392454.db2.gz PLTZCFCOSCNKQB-IRXDYDNUSA-N 2 1 345.553 1.854 20 0 EDADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000336872436 290392455 /nfs/dbraw/zinc/39/24/55/290392455.db2.gz PLTZCFCOSCNKQB-IRXDYDNUSA-N 2 1 345.553 1.854 20 0 EDADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000336872436 290392456 /nfs/dbraw/zinc/39/24/56/290392456.db2.gz PLTZCFCOSCNKQB-IRXDYDNUSA-N 2 1 345.553 1.854 20 0 EDADMP COC[C@]1(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC[NH2+]C1 ZINC000423357213 293265492 /nfs/dbraw/zinc/26/54/92/293265492.db2.gz LUKDTWSOVQIEPO-LNLFQRSKSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496043152 293651827 /nfs/dbraw/zinc/65/18/27/293651827.db2.gz JEQNFNNGCYMLBO-ZFWWWQNUSA-N 2 1 340.468 1.645 20 0 EDADMP [NH3+][C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCOCC2)c2ccccc21 ZINC000333290358 295343194 /nfs/dbraw/zinc/34/31/94/295343194.db2.gz OMTIGUUNTKLDME-ZWKOTPCHSA-N 2 1 331.460 1.602 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666663954 453049107 /nfs/dbraw/zinc/04/91/07/453049107.db2.gz UZMMECCBPKDPSS-YOEHRIQHSA-N 2 1 326.485 1.005 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000420320568 304751809 /nfs/dbraw/zinc/75/18/09/304751809.db2.gz UCIXOTKZMXFVKY-INIZCTEOSA-N 2 1 345.443 1.733 20 0 EDADMP CC(C)[C@]1(CO)CC[NH+](CC(O)C[N@@H+]2CC[C@@](CO)(C(C)C)C2)C1 ZINC000377732992 447325949 /nfs/dbraw/zinc/32/59/49/447325949.db2.gz RAMVNOYIFYOQHP-RTBURBONSA-N 2 1 342.524 1.028 20 0 EDADMP COc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)ccc1S(C)(=O)=O ZINC000293761709 303014657 /nfs/dbraw/zinc/01/46/57/303014657.db2.gz SDNOUUSINYIXAG-QWHCGFSZSA-N 2 1 328.478 1.947 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)ccn1 ZINC000293957250 303044141 /nfs/dbraw/zinc/04/41/41/303044141.db2.gz STOGYEIMZDUEQT-GOSISDBHSA-N 2 1 332.448 1.190 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000294916278 303154767 /nfs/dbraw/zinc/15/47/67/303154767.db2.gz CKLPZEQXSKLYCM-MRXNPFEDSA-N 2 1 330.476 1.408 20 0 EDADMP COCCOC[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295040928 303166305 /nfs/dbraw/zinc/16/63/05/303166305.db2.gz NUOXFDOXSGMFSD-MOPGFXCFSA-N 2 1 336.476 1.464 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000295195453 303186841 /nfs/dbraw/zinc/18/68/41/303186841.db2.gz OLQFYICUYAWLHJ-MRXNPFEDSA-N 2 1 348.491 1.639 20 0 EDADMP Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cn2ccnc12 ZINC000296976898 303350905 /nfs/dbraw/zinc/35/09/05/303350905.db2.gz NRRLNSJZHKAGQA-OAHLLOKOSA-N 2 1 343.431 1.829 20 0 EDADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CC2 ZINC000422996622 304882530 /nfs/dbraw/zinc/88/25/30/304882530.db2.gz UDDMPGMYHMSQTD-QKPAOTATSA-N 2 1 333.480 1.463 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000423917103 304915996 /nfs/dbraw/zinc/91/59/96/304915996.db2.gz PTUKRGSXCLOXJX-CVEARBPZSA-N 2 1 333.480 1.803 20 0 EDADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000424452163 304929718 /nfs/dbraw/zinc/92/97/18/304929718.db2.gz GNJSEIQQLCWQTA-QZTJIDSGSA-N 2 1 346.475 1.588 20 0 EDADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000428950631 305020655 /nfs/dbraw/zinc/02/06/55/305020655.db2.gz GBXKSZIRDKLFEZ-APWZRJJASA-N 2 1 344.503 1.552 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000428945952 305020692 /nfs/dbraw/zinc/02/06/92/305020692.db2.gz HTQRMSYPJJVNHQ-UHFFFAOYSA-N 2 1 326.510 1.209 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428947569 305020711 /nfs/dbraw/zinc/02/07/11/305020711.db2.gz PGGJCLRYYGYNAQ-UHFFFAOYSA-N 2 1 326.485 1.128 20 0 EDADMP CCOC[C@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000430180851 305047189 /nfs/dbraw/zinc/04/71/89/305047189.db2.gz SBUAAMOULKSKOP-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP O=C([C@H]1CCC[N@H+]([C@H]2CCc3ccc(F)cc32)C1)N1CC[NH2+]CC1 ZINC000430615952 305059201 /nfs/dbraw/zinc/05/92/01/305059201.db2.gz DTVVBSZIIDNKTH-YJBOKZPZSA-N 2 1 331.435 1.957 20 0 EDADMP [NH3+]C[C@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430631991 305060480 /nfs/dbraw/zinc/06/04/80/305060480.db2.gz WDZPNIWITYWYIF-GOSISDBHSA-N 2 1 330.476 1.002 20 0 EDADMP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430941002 305069688 /nfs/dbraw/zinc/06/96/88/305069688.db2.gz SWIMRVLKAIMTLY-KEYYUXOJSA-N 2 1 328.460 1.884 20 0 EDADMP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430941002 305069689 /nfs/dbraw/zinc/06/96/89/305069689.db2.gz SWIMRVLKAIMTLY-KEYYUXOJSA-N 2 1 328.460 1.884 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430952506 305070470 /nfs/dbraw/zinc/07/04/70/305070470.db2.gz PVOMZRULXDSXMQ-BFHYXJOUSA-N 2 1 333.432 1.304 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430952506 305070471 /nfs/dbraw/zinc/07/04/71/305070471.db2.gz PVOMZRULXDSXMQ-BFHYXJOUSA-N 2 1 333.432 1.304 20 0 EDADMP COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430966555 305071432 /nfs/dbraw/zinc/07/14/32/305071432.db2.gz OQAJVJZXRBMKBK-RHSMWYFYSA-N 2 1 347.459 1.648 20 0 EDADMP COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430966555 305071433 /nfs/dbraw/zinc/07/14/33/305071433.db2.gz OQAJVJZXRBMKBK-RHSMWYFYSA-N 2 1 347.459 1.648 20 0 EDADMP COc1cc(C[NH+](C)C2CC(O)C2)cc(C[N@@H+](C)C2CC(O)C2)c1 ZINC000432866006 305096425 /nfs/dbraw/zinc/09/64/25/305096425.db2.gz QQIDDDVYJOLIMM-UHFFFAOYSA-N 2 1 334.460 1.605 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433127767 305101307 /nfs/dbraw/zinc/10/13/07/305101307.db2.gz UIFMTGWVLLIPHA-IXDOHACOSA-N 3 1 338.540 1.672 20 0 EDADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433127767 305101308 /nfs/dbraw/zinc/10/13/08/305101308.db2.gz UIFMTGWVLLIPHA-IXDOHACOSA-N 2 1 338.540 1.672 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433127767 305101309 /nfs/dbraw/zinc/10/13/09/305101309.db2.gz UIFMTGWVLLIPHA-IXDOHACOSA-N 2 1 338.540 1.672 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000433360622 305106647 /nfs/dbraw/zinc/10/66/47/305106647.db2.gz KVPJCKINUOFWQK-QGZVFWFLSA-N 2 1 337.508 1.699 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000433360622 305106648 /nfs/dbraw/zinc/10/66/48/305106648.db2.gz KVPJCKINUOFWQK-QGZVFWFLSA-N 2 1 337.508 1.699 20 0 EDADMP CC[N@H+](CC(=O)NC(=O)NCc1cccs1)[C@H]1CCC[NH2+]CC1 ZINC000435629886 305144054 /nfs/dbraw/zinc/14/40/54/305144054.db2.gz VHSHOAAXCFJIPF-ZDUSSCGKSA-N 2 1 338.477 1.538 20 0 EDADMP CC[N@@H+](CC(=O)NC(=O)NCc1cccs1)[C@H]1CCC[NH2+]CC1 ZINC000435629886 305144055 /nfs/dbraw/zinc/14/40/55/305144055.db2.gz VHSHOAAXCFJIPF-ZDUSSCGKSA-N 2 1 338.477 1.538 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436241957 305154807 /nfs/dbraw/zinc/15/48/07/305154807.db2.gz UFNXCRJPUWYUNB-ZDUSSCGKSA-N 2 1 332.423 1.984 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCCc2ccccc2OC)[C@@H](C)C1 ZINC000436300826 305155652 /nfs/dbraw/zinc/15/56/52/305155652.db2.gz LAGMAYXHYUPSMZ-DOTOQJQBSA-N 2 1 333.476 1.674 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCCc2ccccc2OC)[C@@H](C)C1 ZINC000436300826 305155653 /nfs/dbraw/zinc/15/56/53/305155653.db2.gz LAGMAYXHYUPSMZ-DOTOQJQBSA-N 2 1 333.476 1.674 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440502381 305208496 /nfs/dbraw/zinc/20/84/96/305208496.db2.gz HCBFMDGSKNLIIV-CRAIPNDOSA-N 2 1 325.497 1.866 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440502381 305208497 /nfs/dbraw/zinc/20/84/97/305208497.db2.gz HCBFMDGSKNLIIV-CRAIPNDOSA-N 2 1 325.497 1.866 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440502381 305208498 /nfs/dbraw/zinc/20/84/98/305208498.db2.gz HCBFMDGSKNLIIV-CRAIPNDOSA-N 2 1 325.497 1.866 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440502381 305208499 /nfs/dbraw/zinc/20/84/99/305208499.db2.gz HCBFMDGSKNLIIV-CRAIPNDOSA-N 2 1 325.497 1.866 20 0 EDADMP CCC[NH+](C)CC(=O)N1C[C@H](C)N(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC000441455416 305222271 /nfs/dbraw/zinc/22/22/71/305222271.db2.gz DBBAWPXGVVZSTF-IYBDPMFKSA-N 2 1 340.512 1.118 20 0 EDADMP CCC[NH+](C)CC(=O)N1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC000441455416 305222272 /nfs/dbraw/zinc/22/22/72/305222272.db2.gz DBBAWPXGVVZSTF-IYBDPMFKSA-N 2 1 340.512 1.118 20 0 EDADMP CCC[NH+](C)CC(=O)N1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC000441455416 305222273 /nfs/dbraw/zinc/22/22/73/305222273.db2.gz DBBAWPXGVVZSTF-IYBDPMFKSA-N 2 1 340.512 1.118 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000446493188 305265840 /nfs/dbraw/zinc/26/58/40/305265840.db2.gz NWNQQNRMOWFVKP-QGZVFWFLSA-N 2 1 340.512 1.520 20 0 EDADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000446493188 305265841 /nfs/dbraw/zinc/26/58/41/305265841.db2.gz NWNQQNRMOWFVKP-QGZVFWFLSA-N 2 1 340.512 1.520 20 0 EDADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000446493188 305265842 /nfs/dbraw/zinc/26/58/42/305265842.db2.gz NWNQQNRMOWFVKP-QGZVFWFLSA-N 2 1 340.512 1.520 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+]1CCCOCC1)[NH+]1CCCC[C@@H]1C ZINC000446502152 305265900 /nfs/dbraw/zinc/26/59/00/305265900.db2.gz SVUBSTBFRIGDLJ-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000446502152 305265901 /nfs/dbraw/zinc/26/59/01/305265901.db2.gz SVUBSTBFRIGDLJ-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000446502152 305265902 /nfs/dbraw/zinc/26/59/02/305265902.db2.gz SVUBSTBFRIGDLJ-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000449338597 305311807 /nfs/dbraw/zinc/31/18/07/305311807.db2.gz VTZGNSSSUWELKZ-CZUORRHYSA-N 2 1 347.459 1.034 20 0 EDADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000449338597 305311808 /nfs/dbraw/zinc/31/18/08/305311808.db2.gz VTZGNSSSUWELKZ-CZUORRHYSA-N 2 1 347.459 1.034 20 0 EDADMP CCC(CC)[C@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000449684299 305316812 /nfs/dbraw/zinc/31/68/12/305316812.db2.gz OYYFQADGOFUHIJ-DLBZAZTESA-N 2 1 325.497 1.772 20 0 EDADMP CCOC(=O)CCN1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527261 305351333 /nfs/dbraw/zinc/35/13/33/305351333.db2.gz DESCYPVZCRQLHP-QGZVFWFLSA-N 2 1 339.480 1.206 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC000451607933 305356032 /nfs/dbraw/zinc/35/60/32/305356032.db2.gz ISGDQSNQNORCGI-YESZJQIVSA-N 2 1 327.513 1.418 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000419694475 447353796 /nfs/dbraw/zinc/35/37/96/447353796.db2.gz JMTUBGUQABACJH-HNNXBMFYSA-N 2 1 340.512 1.247 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000458421048 447356278 /nfs/dbraw/zinc/35/62/78/447356278.db2.gz QACRRMYMUFILLA-HZPDHXFCSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000458421048 447356285 /nfs/dbraw/zinc/35/62/85/447356285.db2.gz QACRRMYMUFILLA-HZPDHXFCSA-N 2 1 338.496 1.080 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(C(N)=O)c2)CC1 ZINC000516624243 305738925 /nfs/dbraw/zinc/73/89/25/305738925.db2.gz PQCMXWRBNRXYQC-UHFFFAOYSA-N 2 1 339.399 1.185 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000414940252 447365071 /nfs/dbraw/zinc/36/50/71/447365071.db2.gz XLVZMDWLEAVWCN-XJKSGUPXSA-N 2 1 330.432 1.342 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000414940252 447365077 /nfs/dbraw/zinc/36/50/77/447365077.db2.gz XLVZMDWLEAVWCN-XJKSGUPXSA-N 2 1 330.432 1.342 20 0 EDADMP CN1CCC[C@H]([NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000539811880 306036992 /nfs/dbraw/zinc/03/69/92/306036992.db2.gz RKJJGAYAIRZAOK-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP CN1CCC[C@H]([NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000539811880 306036993 /nfs/dbraw/zinc/03/69/93/306036993.db2.gz RKJJGAYAIRZAOK-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP O=C(C[NH2+]C1(C2CC2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000543453534 306063975 /nfs/dbraw/zinc/06/39/75/306063975.db2.gz NKFWXJYBFGLPKB-UHFFFAOYSA-N 2 1 335.492 1.670 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000543683894 306066548 /nfs/dbraw/zinc/06/65/48/306066548.db2.gz IVESHOAFWLJWKH-GOSISDBHSA-N 2 1 348.491 1.831 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000543683894 306066549 /nfs/dbraw/zinc/06/65/49/306066549.db2.gz IVESHOAFWLJWKH-GOSISDBHSA-N 2 1 348.491 1.831 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000545176406 306081131 /nfs/dbraw/zinc/08/11/31/306081131.db2.gz KACVIRSDRVFRLY-RKVPGOIHSA-N 2 1 340.512 1.109 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000553076046 306182623 /nfs/dbraw/zinc/18/26/23/306182623.db2.gz BNHMWMJPZQGXSS-ZACQAIPSSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000553076046 306182624 /nfs/dbraw/zinc/18/26/24/306182624.db2.gz BNHMWMJPZQGXSS-ZACQAIPSSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000553076046 306182625 /nfs/dbraw/zinc/18/26/25/306182625.db2.gz BNHMWMJPZQGXSS-ZACQAIPSSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]CCC(=O)NC(N)=O)cc2)C1 ZINC000554596873 306196079 /nfs/dbraw/zinc/19/60/79/306196079.db2.gz PJOYEVRQPMIXNM-GASCZTMLSA-N 2 1 346.475 1.839 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[NH+](C)C ZINC000557137497 306224891 /nfs/dbraw/zinc/22/48/91/306224891.db2.gz REBJJXCMYJPLLK-HOCLYGCPSA-N 2 1 334.464 1.739 20 0 EDADMP CN(CCC[NH3+])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000557162644 306225152 /nfs/dbraw/zinc/22/51/52/306225152.db2.gz PQTDMJFZGNILGQ-UHFFFAOYSA-N 2 1 340.512 1.790 20 0 EDADMP O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000557177764 306225577 /nfs/dbraw/zinc/22/55/77/306225577.db2.gz ULZKXEZLZFRPFP-BBWFWOEESA-N 2 1 338.496 1.319 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@H]1C ZINC000414949069 447368808 /nfs/dbraw/zinc/36/88/08/447368808.db2.gz ZNQTVQWRCXPWIA-PBHICJAKSA-N 2 1 346.475 1.676 20 0 EDADMP CC[C@H](C)[NH+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000449625869 447379765 /nfs/dbraw/zinc/37/97/65/447379765.db2.gz CKJBBLKRLIYPEQ-INIZCTEOSA-N 2 1 332.496 1.145 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccccc2NC[C@H]2CCC[NH2+]C2)CC1 ZINC000415112490 447390232 /nfs/dbraw/zinc/39/02/32/447390232.db2.gz VGHAEJBIRRFUCF-KRWDZBQOSA-N 2 1 330.476 1.762 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2n(n1)CCCC2 ZINC000449826202 447399623 /nfs/dbraw/zinc/39/96/23/447399623.db2.gz QZTQSMADHVSWNH-KRWDZBQOSA-N 2 1 347.507 1.708 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000419771748 447403056 /nfs/dbraw/zinc/40/30/56/447403056.db2.gz GYGNIMAZUPDZBC-GJZGRUSLSA-N 2 1 340.512 1.055 20 0 EDADMP C[NH+](CCOCC[N@H+](C)[C@@H]1CCCC[C@H]1O)[C@@H]1CCCC[C@H]1O ZINC000426236662 447403685 /nfs/dbraw/zinc/40/36/85/447403685.db2.gz GQBASDYNRMJPMJ-BRSBDYLESA-N 2 1 328.497 1.474 20 0 EDADMP CS(=O)(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663470159 453803930 /nfs/dbraw/zinc/80/39/30/453803930.db2.gz SPHHFOLAHMCDAS-OAHLLOKOSA-N 2 1 329.510 1.122 20 0 EDADMP CC(C)C[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000045751564 441029330 /nfs/dbraw/zinc/02/93/30/441029330.db2.gz SOPNRNUZVNLYJG-QGZVFWFLSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000045751564 441029336 /nfs/dbraw/zinc/02/93/36/441029336.db2.gz SOPNRNUZVNLYJG-QGZVFWFLSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000045751564 441029339 /nfs/dbraw/zinc/02/93/39/441029339.db2.gz SOPNRNUZVNLYJG-QGZVFWFLSA-N 2 1 325.497 1.580 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000080545711 441178478 /nfs/dbraw/zinc/17/84/78/441178478.db2.gz USGUXCHMVOBRND-SFHVURJKSA-N 2 1 334.508 1.988 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000105275924 441246012 /nfs/dbraw/zinc/24/60/12/441246012.db2.gz BCEWALNNGRYCEV-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000105275924 441246018 /nfs/dbraw/zinc/24/60/18/441246018.db2.gz BCEWALNNGRYCEV-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000106458164 441345638 /nfs/dbraw/zinc/34/56/38/441345638.db2.gz RSKXMLAFOAULIJ-HKUYNNGSSA-N 2 1 346.519 1.900 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000063178547 441316944 /nfs/dbraw/zinc/31/69/44/441316944.db2.gz KOBFQDPORSYLJK-ZDUSSCGKSA-N 2 1 340.265 1.736 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000074110120 441395485 /nfs/dbraw/zinc/39/54/85/441395485.db2.gz ZYUOYBLLVLGFMT-INIZCTEOSA-N 2 1 338.496 1.415 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1C ZINC000083737909 441373514 /nfs/dbraw/zinc/37/35/14/441373514.db2.gz BIPPNZKFDHNXTG-AWEZNQCLSA-N 2 1 334.468 1.256 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(=O)NC)cc3)C2)CC1 ZINC000109025732 441485964 /nfs/dbraw/zinc/48/59/64/441485964.db2.gz TVSCLJWSVHSHCN-GOSISDBHSA-N 2 1 330.476 1.258 20 0 EDADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085790764 441450697 /nfs/dbraw/zinc/45/06/97/441450697.db2.gz NCSXIFAODCFIAX-OAHLLOKOSA-N 2 1 331.526 1.463 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000089433282 441551547 /nfs/dbraw/zinc/55/15/47/441551547.db2.gz ONBHDQPHKQEOBH-INIZCTEOSA-N 2 1 335.452 1.028 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000089433282 441551552 /nfs/dbraw/zinc/55/15/52/441551552.db2.gz ONBHDQPHKQEOBH-INIZCTEOSA-N 2 1 335.452 1.028 20 0 EDADMP CC[NH+]1CCN([C@H](C)CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000112917197 441567602 /nfs/dbraw/zinc/56/76/02/441567602.db2.gz JQAKPVPOYLXXSF-QGZVFWFLSA-N 2 1 332.492 1.261 20 0 EDADMP CC[NH+]1CCN([C@H](C)CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000112917197 441567606 /nfs/dbraw/zinc/56/76/06/441567606.db2.gz JQAKPVPOYLXXSF-QGZVFWFLSA-N 2 1 332.492 1.261 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173949925 441867745 /nfs/dbraw/zinc/86/77/45/441867745.db2.gz CBUAVPZJMYWNLO-OAHLLOKOSA-N 2 1 336.484 1.831 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCc1cccnc1 ZINC000173694918 441825662 /nfs/dbraw/zinc/82/56/62/441825662.db2.gz ZSCSPVWNIJFXNJ-SFHVURJKSA-N 2 1 347.507 1.682 20 0 EDADMP CC(C)C[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000077751083 441847165 /nfs/dbraw/zinc/84/71/65/441847165.db2.gz SVEXUHYUMPVZOX-UHFFFAOYSA-N 2 1 326.485 1.082 20 0 EDADMP CC(C)C[N@H+]1CCCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000077751083 441847170 /nfs/dbraw/zinc/84/71/70/441847170.db2.gz SVEXUHYUMPVZOX-UHFFFAOYSA-N 2 1 326.485 1.082 20 0 EDADMP CCOCCN1CCN(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000150751616 441942970 /nfs/dbraw/zinc/94/29/70/441942970.db2.gz AILJOWMBDWNGJZ-QGZVFWFLSA-N 2 1 340.512 1.328 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000150751616 441942975 /nfs/dbraw/zinc/94/29/75/441942975.db2.gz AILJOWMBDWNGJZ-QGZVFWFLSA-N 2 1 340.512 1.328 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000150751616 441942981 /nfs/dbraw/zinc/94/29/81/441942981.db2.gz AILJOWMBDWNGJZ-QGZVFWFLSA-N 2 1 340.512 1.328 20 0 EDADMP CC[C@@H](C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000125309939 442008522 /nfs/dbraw/zinc/00/85/22/442008522.db2.gz ZXIUCVNCEFUWRQ-WMZOPIPTSA-N 2 1 332.492 1.654 20 0 EDADMP CC(=O)NC1CCC([NH2+]C2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000161607717 442016403 /nfs/dbraw/zinc/01/64/03/442016403.db2.gz LZVWFKBBWDXPTE-UHFFFAOYSA-N 2 1 325.497 1.913 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175719767 442110947 /nfs/dbraw/zinc/11/09/47/442110947.db2.gz HNXFCXNULVHIKM-UHFFFAOYSA-N 2 1 326.485 1.271 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175720691 442111064 /nfs/dbraw/zinc/11/10/64/442111064.db2.gz RMADCCBAKUMJEX-OAHLLOKOSA-N 2 1 327.517 1.042 20 0 EDADMP Cc1cc(N2CCC([N@H+](C)CC[C@@H]3CCOC3=O)CC2)nc(C)[nH+]1 ZINC000120671859 442114570 /nfs/dbraw/zinc/11/45/70/442114570.db2.gz ZXMFINYPBGTZQU-OAHLLOKOSA-N 2 1 332.448 1.947 20 0 EDADMP Cc1cc(N2CCC([N@@H+](C)CC[C@@H]3CCOC3=O)CC2)nc(C)[nH+]1 ZINC000120671859 442114575 /nfs/dbraw/zinc/11/45/75/442114575.db2.gz ZXMFINYPBGTZQU-OAHLLOKOSA-N 2 1 332.448 1.947 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000175772032 442119368 /nfs/dbraw/zinc/11/93/68/442119368.db2.gz PLZXNQPWNIBUSL-QGZVFWFLSA-N 2 1 341.544 1.099 20 0 EDADMP C[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000163475930 442168769 /nfs/dbraw/zinc/16/87/69/442168769.db2.gz SBXZVGYUXWSYTQ-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000176085711 442173510 /nfs/dbraw/zinc/17/35/10/442173510.db2.gz HZAQQFCLBKEWQL-UHFFFAOYSA-N 2 1 334.464 1.452 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]c(=O)cc1C ZINC000127131253 442174325 /nfs/dbraw/zinc/17/43/25/442174325.db2.gz SVAHMDCOXWQLQH-OAHLLOKOSA-N 2 1 334.464 1.171 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(=O)N(C)C)c2)[C@H](C)C1 ZINC000163785703 442182872 /nfs/dbraw/zinc/18/28/72/442182872.db2.gz KLDXLJVHNOVCMK-CRAIPNDOSA-N 2 1 333.476 1.974 20 0 EDADMP C[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCN(C)CC1 ZINC000127328023 442193866 /nfs/dbraw/zinc/19/38/66/442193866.db2.gz RKLKTDPQFYPMCS-MSOLQXFVSA-N 2 1 348.535 1.914 20 0 EDADMP COCC[N@H+](C)CC[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000165983405 442212607 /nfs/dbraw/zinc/21/26/07/442212607.db2.gz KQIZVKLIJQDKNW-SFHVURJKSA-N 2 1 348.491 1.829 20 0 EDADMP COCC[N@@H+](C)CC[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000165983405 442212610 /nfs/dbraw/zinc/21/26/10/442212610.db2.gz KQIZVKLIJQDKNW-SFHVURJKSA-N 2 1 348.491 1.829 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000127766525 442223853 /nfs/dbraw/zinc/22/38/53/442223853.db2.gz NTRSHPJVRUFQGY-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000127766525 442223854 /nfs/dbraw/zinc/22/38/54/442223854.db2.gz NTRSHPJVRUFQGY-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[NH+]1CCSCC1 ZINC000152852829 442248220 /nfs/dbraw/zinc/24/82/20/442248220.db2.gz FPYWRHVZLWTYQW-JKSUJKDBSA-N 2 1 325.522 1.901 20 0 EDADMP COc1cccc(CC(=O)N2CCC([NH2+]C3CC[NH+](C)CC3)CC2)c1 ZINC000128365289 442261923 /nfs/dbraw/zinc/26/19/23/442261923.db2.gz MBZAWZOWYFVHDF-UHFFFAOYSA-N 2 1 345.487 1.913 20 0 EDADMP O=C(C[C@H]1CCC[NH2+]1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000153288691 442273630 /nfs/dbraw/zinc/27/36/30/442273630.db2.gz LBDSROJWQPGJNQ-CYBMUJFWSA-N 2 1 337.386 1.242 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000153491107 442285252 /nfs/dbraw/zinc/28/52/52/442285252.db2.gz SWQMEZCMVHTASN-INIZCTEOSA-N 2 1 340.512 1.207 20 0 EDADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000153696044 442296818 /nfs/dbraw/zinc/29/68/18/442296818.db2.gz MQAGWXBRMVPFKB-CQSZACIVSA-N 2 1 325.478 1.607 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCCN(c2ccccn2)C1)[N@@H+](C)C1CC1 ZINC000129163076 442304100 /nfs/dbraw/zinc/30/41/00/442304100.db2.gz BOZVKNPRFQAJAF-HUUCEWRRSA-N 2 1 331.464 1.832 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000171210956 442329109 /nfs/dbraw/zinc/32/91/09/442329109.db2.gz RAKDHFXXOPRQIE-UHFFFAOYSA-N 2 1 328.501 1.328 20 0 EDADMP CC(=O)NCCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177484864 442347855 /nfs/dbraw/zinc/34/78/55/442347855.db2.gz SFGUAKZAAQSUEM-IYBDPMFKSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C[N@H+]1C1CC1 ZINC000177221078 442315369 /nfs/dbraw/zinc/31/53/69/442315369.db2.gz NGZGEEOETQHASF-CVEARBPZSA-N 2 1 335.492 1.763 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCO[C@@](C)(c3ccccc3)C2)CC1 ZINC000177241895 442318657 /nfs/dbraw/zinc/31/86/57/442318657.db2.gz MZZGGVCRNZOUOV-YLJYHZDGSA-N 2 1 345.487 1.787 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000171853697 442385146 /nfs/dbraw/zinc/38/51/46/442385146.db2.gz FBAPDAGMZIAFLE-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000171853697 442385148 /nfs/dbraw/zinc/38/51/48/442385148.db2.gz FBAPDAGMZIAFLE-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000171853697 442385149 /nfs/dbraw/zinc/38/51/49/442385149.db2.gz FBAPDAGMZIAFLE-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@@H]1CCSC1 ZINC000132205031 442389194 /nfs/dbraw/zinc/38/91/94/442389194.db2.gz FXJHVHSCYGQWMV-HZPDHXFCSA-N 2 1 325.522 1.901 20 0 EDADMP C[N@H+](C[C@@H](O)Cn1cccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172268897 442433496 /nfs/dbraw/zinc/43/34/96/442433496.db2.gz UNFWUBSAADMXLS-LJQANCHMSA-N 2 1 328.460 1.840 20 0 EDADMP C[N@@H+](C[C@@H](O)Cn1cccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172268897 442433498 /nfs/dbraw/zinc/43/34/98/442433498.db2.gz UNFWUBSAADMXLS-LJQANCHMSA-N 2 1 328.460 1.840 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000178873973 442510039 /nfs/dbraw/zinc/51/00/39/442510039.db2.gz SMIIUMMPIYXMPZ-LJQANCHMSA-N 2 1 344.503 1.582 20 0 EDADMP CC[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000156302542 442465686 /nfs/dbraw/zinc/46/56/86/442465686.db2.gz QWNRIEHCYNTMIY-IAGOWNOFSA-N 2 1 338.496 1.101 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000178777013 442481427 /nfs/dbraw/zinc/48/14/27/442481427.db2.gz ARIFRZVQZMCUCS-UHFFFAOYSA-N 2 1 345.535 1.663 20 0 EDADMP C[N@@H+](CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@H]1CCSC1 ZINC000156449588 442481838 /nfs/dbraw/zinc/48/18/38/442481838.db2.gz JHSAWAQWHZGMFM-JKSUJKDBSA-N 2 1 325.522 1.758 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000179039284 442558300 /nfs/dbraw/zinc/55/83/00/442558300.db2.gz UKJVZXXERVWBIN-KRWDZBQOSA-N 2 1 334.464 1.543 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000179039284 442558302 /nfs/dbraw/zinc/55/83/02/442558302.db2.gz UKJVZXXERVWBIN-KRWDZBQOSA-N 2 1 334.464 1.543 20 0 EDADMP CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)CC1CC[NH2+]CC1 ZINC000178955398 442537472 /nfs/dbraw/zinc/53/74/72/442537472.db2.gz JQAORVNNBCYHKE-UHFFFAOYSA-N 2 1 333.432 1.718 20 0 EDADMP COc1ccc([C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000180091813 442539987 /nfs/dbraw/zinc/53/99/87/442539987.db2.gz KMWYRIJOSWGBPR-IBGZPJMESA-N 2 1 331.460 1.900 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](C)[C@H]2C)C1 ZINC000172856572 442556552 /nfs/dbraw/zinc/55/65/52/442556552.db2.gz XXAWTZKUJJWFLH-GVDBMIGSSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2C)C1 ZINC000172856572 442556554 /nfs/dbraw/zinc/55/65/54/442556554.db2.gz XXAWTZKUJJWFLH-GVDBMIGSSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](C)[C@H]2C)C1 ZINC000172856572 442556556 /nfs/dbraw/zinc/55/65/56/442556556.db2.gz XXAWTZKUJJWFLH-GVDBMIGSSA-N 2 1 325.497 1.580 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156730785 442514871 /nfs/dbraw/zinc/51/48/71/442514871.db2.gz NHUWKCOPVXLOCF-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])CCSC)CC2)cn1 ZINC000157300146 442569264 /nfs/dbraw/zinc/56/92/64/442569264.db2.gz TVOWFIUKTDWTCC-HNNXBMFYSA-N 2 1 339.509 1.018 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])CCSC)CC2)cn1 ZINC000157300146 442569269 /nfs/dbraw/zinc/56/92/69/442569269.db2.gz TVOWFIUKTDWTCC-HNNXBMFYSA-N 2 1 339.509 1.018 20 0 EDADMP C[NH+]1CCC([NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)CC1 ZINC000186717345 442600061 /nfs/dbraw/zinc/60/00/61/442600061.db2.gz HEVOGJUJJQGKFQ-UHFFFAOYSA-N 2 1 341.452 1.549 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)cc1 ZINC000180214443 442559663 /nfs/dbraw/zinc/55/96/63/442559663.db2.gz KXLNRJWWTBEZTM-CYBMUJFWSA-N 2 1 338.415 1.984 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](C)C1 ZINC000186577013 442565513 /nfs/dbraw/zinc/56/55/13/442565513.db2.gz RXKOFHATTQRPQM-GVDBMIGSSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000186577013 442565518 /nfs/dbraw/zinc/56/55/18/442565518.db2.gz RXKOFHATTQRPQM-GVDBMIGSSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000186577013 442565520 /nfs/dbraw/zinc/56/55/20/442565520.db2.gz RXKOFHATTQRPQM-GVDBMIGSSA-N 2 1 340.512 1.203 20 0 EDADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)Cn1cccn1 ZINC000179393412 442639401 /nfs/dbraw/zinc/63/94/01/442639401.db2.gz PYUVFCVZIRIYBR-IBGZPJMESA-N 2 1 343.475 1.878 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC[NH+]1CCCOCC1 ZINC000186920237 442629946 /nfs/dbraw/zinc/62/99/46/442629946.db2.gz SHWVMWWVJUFRKM-QGZVFWFLSA-N 2 1 340.512 1.663 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000186920237 442629950 /nfs/dbraw/zinc/62/99/50/442629950.db2.gz SHWVMWWVJUFRKM-QGZVFWFLSA-N 2 1 340.512 1.663 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000186920237 442629955 /nfs/dbraw/zinc/62/99/55/442629955.db2.gz SHWVMWWVJUFRKM-QGZVFWFLSA-N 2 1 340.512 1.663 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](Cn3ccnn3)C2)CC1 ZINC000192776699 442685247 /nfs/dbraw/zinc/68/52/47/442685247.db2.gz LKHKURRZONBJCV-GOSISDBHSA-N 2 1 334.512 1.406 20 0 EDADMP COC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000187882076 442696410 /nfs/dbraw/zinc/69/64/10/442696410.db2.gz GYTUJLMUQAWLSF-JZXOWHBKSA-N 2 1 328.497 1.907 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H]2CCCC[C@@H]2C)C1 ZINC000192628768 442670338 /nfs/dbraw/zinc/67/03/38/442670338.db2.gz KMSOPADWHMETOF-KSZLIROESA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H]2CCCC[C@@H]2C)C1 ZINC000192628768 442670340 /nfs/dbraw/zinc/67/03/40/442670340.db2.gz KMSOPADWHMETOF-KSZLIROESA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H]2CCCC[C@@H]2C)C1 ZINC000192628768 442670343 /nfs/dbraw/zinc/67/03/43/442670343.db2.gz KMSOPADWHMETOF-KSZLIROESA-N 2 1 339.524 1.970 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC3(C)CC[NH2+]CC3)cc2)CC1 ZINC000193356912 442735554 /nfs/dbraw/zinc/73/55/54/442735554.db2.gz IUWJKEDIXRTKDM-UHFFFAOYSA-N 2 1 330.476 1.306 20 0 EDADMP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)(N2CCOCC2)C1 ZINC000193399857 442738814 /nfs/dbraw/zinc/73/88/14/442738814.db2.gz MYYLONNYAFOKOH-TXQGORRRSA-N 2 1 339.524 1.576 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000193917970 442812239 /nfs/dbraw/zinc/81/22/39/442812239.db2.gz AXUGADHQQZTRSL-CQSZACIVSA-N 2 1 344.459 1.561 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000193917970 442812243 /nfs/dbraw/zinc/81/22/43/442812243.db2.gz AXUGADHQQZTRSL-CQSZACIVSA-N 2 1 344.459 1.561 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000193917970 442812246 /nfs/dbraw/zinc/81/22/46/442812246.db2.gz AXUGADHQQZTRSL-CQSZACIVSA-N 2 1 344.459 1.561 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000193917970 442812250 /nfs/dbraw/zinc/81/22/50/442812250.db2.gz AXUGADHQQZTRSL-CQSZACIVSA-N 2 1 344.459 1.561 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000247648796 442863488 /nfs/dbraw/zinc/86/34/88/442863488.db2.gz VZBMMWNJUZMQBN-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1)C[NH+]1CCOCC1 ZINC000265728822 442897404 /nfs/dbraw/zinc/89/74/04/442897404.db2.gz RTAVQOLVKZSSGU-FUHWJXTLSA-N 2 1 348.491 1.557 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000248618157 442908035 /nfs/dbraw/zinc/90/80/35/442908035.db2.gz MJLNYEAJCVLTJQ-CVEARBPZSA-N 2 1 340.512 1.347 20 0 EDADMP CN(C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000183342079 442923038 /nfs/dbraw/zinc/92/30/38/442923038.db2.gz OMGVKPBMCAXLJQ-IEBWSBKVSA-N 2 1 345.487 1.737 20 0 EDADMP CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000183342079 442923044 /nfs/dbraw/zinc/92/30/44/442923044.db2.gz OMGVKPBMCAXLJQ-IEBWSBKVSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCN2CCOC[C@H]2C)CC1 ZINC000249044467 442946449 /nfs/dbraw/zinc/94/64/49/442946449.db2.gz NKNFITXVQDEXHE-CEXWTWQISA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCN2CCOC[C@H]2C)CC1 ZINC000249044467 442946452 /nfs/dbraw/zinc/94/64/52/442946452.db2.gz NKNFITXVQDEXHE-CEXWTWQISA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC[NH+]2CCOC[C@H]2C)CC1 ZINC000249044467 442946456 /nfs/dbraw/zinc/94/64/56/442946456.db2.gz NKNFITXVQDEXHE-CEXWTWQISA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC[NH+]2CCOC[C@H]2C)CC1 ZINC000249044467 442946460 /nfs/dbraw/zinc/94/64/60/442946460.db2.gz NKNFITXVQDEXHE-CEXWTWQISA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000249044467 442946464 /nfs/dbraw/zinc/94/64/64/442946464.db2.gz NKNFITXVQDEXHE-CEXWTWQISA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000249044467 442946467 /nfs/dbraw/zinc/94/64/67/442946467.db2.gz NKNFITXVQDEXHE-CEXWTWQISA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000249143301 442956781 /nfs/dbraw/zinc/95/67/81/442956781.db2.gz WREHBXXZGXGVSD-BZUAXINKSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@@H]1[NH+](C)C ZINC000266150189 443035852 /nfs/dbraw/zinc/03/58/52/443035852.db2.gz GZVUABPZYKGXFG-NEWSRXKRSA-N 2 1 344.503 1.384 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]C[C@H](O)Cn1cccn1 ZINC000189953522 443036367 /nfs/dbraw/zinc/03/63/67/443036367.db2.gz VFJFVRQRHJEMOQ-ZCQXEVHSSA-N 2 1 342.487 1.990 20 0 EDADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CCCN(C)CC[NH+](C)C ZINC000623087845 450398713 /nfs/dbraw/zinc/39/87/13/450398713.db2.gz LCPBEOMOGIOLAG-UHFFFAOYSA-N 2 1 330.480 1.549 20 0 EDADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268815041 443116229 /nfs/dbraw/zinc/11/62/29/443116229.db2.gz PKBVYXRBCUDGER-NVXWUHKLSA-N 2 1 339.505 1.426 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185274406 443174078 /nfs/dbraw/zinc/17/40/78/443174078.db2.gz TZCMFNSBQPJNCI-JKIFEVAISA-N 2 1 336.455 1.876 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185274406 443174079 /nfs/dbraw/zinc/17/40/79/443174079.db2.gz TZCMFNSBQPJNCI-JKIFEVAISA-N 2 1 336.455 1.876 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000185287956 443176955 /nfs/dbraw/zinc/17/69/55/443176955.db2.gz SCDYBYPGQWOROI-GASCZTMLSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000185287956 443176957 /nfs/dbraw/zinc/17/69/57/443176957.db2.gz SCDYBYPGQWOROI-GASCZTMLSA-N 2 1 328.501 1.467 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000262158522 443184719 /nfs/dbraw/zinc/18/47/19/443184719.db2.gz PRFOUDRLDUYRRY-GOSISDBHSA-N 3 1 336.524 1.252 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCCN(CCC(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000262158522 443184723 /nfs/dbraw/zinc/18/47/23/443184723.db2.gz PRFOUDRLDUYRRY-GOSISDBHSA-N 2 1 336.524 1.252 20 0 EDADMP C[C@H](C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)C1C[NH2+]C1 ZINC000262338358 443191390 /nfs/dbraw/zinc/19/13/90/443191390.db2.gz HPDJOFPZMZXJFH-AWEZNQCLSA-N 2 1 344.459 1.258 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000269249726 443250734 /nfs/dbraw/zinc/25/07/34/443250734.db2.gz GQOXVHMHLCISNP-BHIYHBOVSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000269250828 443250910 /nfs/dbraw/zinc/25/09/10/443250910.db2.gz GQOXVHMHLCISNP-NZSAHSFTSA-N 2 1 345.487 1.782 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCOC)[C@H]2CCC[C@@H]2C)CC1 ZINC000411628655 319190926 /nfs/dbraw/zinc/19/09/26/319190926.db2.gz WZEZBJOIEFXGOD-RDJZCZTQSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000413849944 319293541 /nfs/dbraw/zinc/29/35/41/319293541.db2.gz ZHIZFIAWTYOLRZ-DLBZAZTESA-N 3 1 339.528 1.138 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)C1 ZINC000413849944 319293542 /nfs/dbraw/zinc/29/35/42/319293542.db2.gz ZHIZFIAWTYOLRZ-DLBZAZTESA-N 3 1 339.528 1.138 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)C1 ZINC000413849944 319293544 /nfs/dbraw/zinc/29/35/44/319293544.db2.gz ZHIZFIAWTYOLRZ-DLBZAZTESA-N 3 1 339.528 1.138 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCOC[C@@H]2Cc2ccccc2)C1 ZINC000414679205 319340707 /nfs/dbraw/zinc/34/07/07/319340707.db2.gz RHSBMTXLANEGBC-MSOLQXFVSA-N 2 1 331.460 1.127 20 0 EDADMP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414682680 319341500 /nfs/dbraw/zinc/34/15/00/319341500.db2.gz AELBKQAYDVQDTI-HZSPNIEDSA-N 2 1 325.478 1.715 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000414691462 319343226 /nfs/dbraw/zinc/34/32/26/319343226.db2.gz BUGWHHSFRQZMIV-JKSUJKDBSA-N 2 1 330.432 1.088 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H]3C)c2C1 ZINC000415739355 319368739 /nfs/dbraw/zinc/36/87/39/319368739.db2.gz HZCMHQNQZBOLKM-WFASDCNBSA-N 2 1 330.432 1.299 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H]3C)c2C1 ZINC000415739355 319368740 /nfs/dbraw/zinc/36/87/40/319368740.db2.gz HZCMHQNQZBOLKM-WFASDCNBSA-N 2 1 330.432 1.299 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000415973755 319386572 /nfs/dbraw/zinc/38/65/72/319386572.db2.gz KCEDZCVTVIPHNN-WBVHZDCISA-N 2 1 332.448 1.720 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000416164906 319395713 /nfs/dbraw/zinc/39/57/13/319395713.db2.gz BXYCXYIXQIYKCD-AEFFLSMTSA-N 2 1 333.476 1.859 20 0 EDADMP COCC[N@H+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000416164906 319395714 /nfs/dbraw/zinc/39/57/14/319395714.db2.gz BXYCXYIXQIYKCD-AEFFLSMTSA-N 2 1 333.476 1.859 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000191495369 443303258 /nfs/dbraw/zinc/30/32/58/443303258.db2.gz SVPWEWYAIOYLGI-IYBDPMFKSA-N 2 1 336.480 1.793 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000191495369 443303260 /nfs/dbraw/zinc/30/32/60/443303260.db2.gz SVPWEWYAIOYLGI-IYBDPMFKSA-N 2 1 336.480 1.793 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](CO)C1 ZINC000269422551 443307942 /nfs/dbraw/zinc/30/79/42/443307942.db2.gz JCVAAFYVNWAYDQ-BPQIPLTHSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](CO)C1 ZINC000269422551 443307945 /nfs/dbraw/zinc/30/79/45/443307945.db2.gz JCVAAFYVNWAYDQ-BPQIPLTHSA-N 2 1 331.460 1.080 20 0 EDADMP CC(C)C[C@H](CNC(=O)NCCC[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000416939713 319479789 /nfs/dbraw/zinc/47/97/89/319479789.db2.gz NKEBSCOMVYAHPW-MRXNPFEDSA-N 2 1 326.485 1.175 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000416940038 319480031 /nfs/dbraw/zinc/48/00/31/319480031.db2.gz OIMDEIVRINSTPW-CVEARBPZSA-N 2 1 326.485 1.032 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000416946135 319482004 /nfs/dbraw/zinc/48/20/04/319482004.db2.gz XDJTVLZWLONJFN-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC000278417215 443324395 /nfs/dbraw/zinc/32/43/95/443324395.db2.gz FVZCMDYCUZEFSE-SJLPKXTDSA-N 2 1 333.476 1.906 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC000278417215 443324400 /nfs/dbraw/zinc/32/44/00/443324400.db2.gz FVZCMDYCUZEFSE-SJLPKXTDSA-N 2 1 333.476 1.906 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)c2ccc(C[NH+](C)C)cc2)CCCO1 ZINC000278420308 443325151 /nfs/dbraw/zinc/32/51/51/443325151.db2.gz GCTZMRHXFSBSOU-INIZCTEOSA-N 2 1 333.476 1.979 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCCNS(C)(=O)=O ZINC000266938682 443296945 /nfs/dbraw/zinc/29/69/45/443296945.db2.gz BMLOGXNQOFXGHA-UHFFFAOYSA-N 2 1 341.521 1.674 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000272590243 443375390 /nfs/dbraw/zinc/37/53/90/443375390.db2.gz RVJCWPVCWSQHNO-NVXWUHKLSA-N 2 1 341.459 1.640 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000272590243 443375391 /nfs/dbraw/zinc/37/53/91/443375391.db2.gz RVJCWPVCWSQHNO-NVXWUHKLSA-N 2 1 341.459 1.640 20 0 EDADMP C[N@H+](Cc1ccccc1CNC(=O)[C@H]([NH3+])CC(N)=O)C1CCCCC1 ZINC000269651565 443380266 /nfs/dbraw/zinc/38/02/66/443380266.db2.gz DPYNDHKMUSEWAP-QGZVFWFLSA-N 2 1 346.475 1.270 20 0 EDADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]([NH3+])CC(N)=O)C1CCCCC1 ZINC000269651565 443380271 /nfs/dbraw/zinc/38/02/71/443380271.db2.gz DPYNDHKMUSEWAP-QGZVFWFLSA-N 2 1 346.475 1.270 20 0 EDADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC000282603255 443387119 /nfs/dbraw/zinc/38/71/19/443387119.db2.gz YFQGHJUFMZJZOZ-MRXNPFEDSA-N 2 1 339.505 1.426 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC000282603255 443387123 /nfs/dbraw/zinc/38/71/23/443387123.db2.gz YFQGHJUFMZJZOZ-MRXNPFEDSA-N 2 1 339.505 1.426 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCCO1 ZINC000278584146 443368151 /nfs/dbraw/zinc/36/81/51/443368151.db2.gz QDPARBHLNQPGOT-IEBWSBKVSA-N 2 1 347.503 1.776 20 0 EDADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000264767183 443415216 /nfs/dbraw/zinc/41/52/16/443415216.db2.gz UVZFCUGVFFGLGR-ROUUACIJSA-N 2 1 330.476 1.013 20 0 EDADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000264767183 443415219 /nfs/dbraw/zinc/41/52/19/443415219.db2.gz UVZFCUGVFFGLGR-ROUUACIJSA-N 2 1 330.476 1.013 20 0 EDADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000264767183 443415222 /nfs/dbraw/zinc/41/52/22/443415222.db2.gz UVZFCUGVFFGLGR-ROUUACIJSA-N 2 1 330.476 1.013 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(=O)[nH]c1 ZINC000278708807 443409597 /nfs/dbraw/zinc/40/95/97/443409597.db2.gz PQCVJBJRQSOMQO-QGZVFWFLSA-N 2 1 348.491 1.594 20 0 EDADMP CC[C@@H]([NH2+]CCc1ccc(OC)c(S(N)(=O)=O)c1)[C@@H]1CCC[NH2+]1 ZINC000423014751 319745939 /nfs/dbraw/zinc/74/59/39/319745939.db2.gz JGFCOQCUOLDWAQ-KGLIPLIRSA-N 2 1 341.477 1.005 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000272266766 443573829 /nfs/dbraw/zinc/57/38/29/443573829.db2.gz NEURAADVPMYZAE-RYQLBKOJSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000272266766 443573833 /nfs/dbraw/zinc/57/38/33/443573833.db2.gz NEURAADVPMYZAE-RYQLBKOJSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@H](C(=O)N1CCC([NH+](C)CCO)CC1)[N@@H+](C)Cc1ccccc1 ZINC000272266624 443573859 /nfs/dbraw/zinc/57/38/59/443573859.db2.gz BVOMTJQFTOOIBX-MRXNPFEDSA-N 2 1 333.476 1.422 20 0 EDADMP C[C@H](C(=O)N1CCC([N@H+](C)CCO)CC1)[NH+](C)Cc1ccccc1 ZINC000272266624 443573863 /nfs/dbraw/zinc/57/38/63/443573863.db2.gz BVOMTJQFTOOIBX-MRXNPFEDSA-N 2 1 333.476 1.422 20 0 EDADMP C[C@H](C(=O)N1CCC([N@@H+](C)CCO)CC1)[NH+](C)Cc1ccccc1 ZINC000272266624 443573867 /nfs/dbraw/zinc/57/38/67/443573867.db2.gz BVOMTJQFTOOIBX-MRXNPFEDSA-N 2 1 333.476 1.422 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCn2cc(Br)ccc2=O)[C@H](C)C1 ZINC000449380339 320186029 /nfs/dbraw/zinc/18/60/29/320186029.db2.gz WGKBGHZALWOVMI-OCCSQVGLSA-N 2 1 342.281 1.931 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457510680 320328925 /nfs/dbraw/zinc/32/89/25/320328925.db2.gz KDMAMUKOLAFRPM-MRXNPFEDSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000457580819 320329119 /nfs/dbraw/zinc/32/91/19/320329119.db2.gz PJKMCOCLIIBUFP-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000457711751 320332787 /nfs/dbraw/zinc/33/27/87/320332787.db2.gz NGFZTAYZUYWBSD-INIZCTEOSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000457711751 320332788 /nfs/dbraw/zinc/33/27/88/320332788.db2.gz NGFZTAYZUYWBSD-INIZCTEOSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000457711751 320332789 /nfs/dbraw/zinc/33/27/89/320332789.db2.gz NGFZTAYZUYWBSD-INIZCTEOSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000457711751 320332790 /nfs/dbraw/zinc/33/27/90/320332790.db2.gz NGFZTAYZUYWBSD-INIZCTEOSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(=O)[nH]n1 ZINC000286292991 443684548 /nfs/dbraw/zinc/68/45/48/443684548.db2.gz WIHQGYQGLPIFKO-YXJHDRRASA-N 2 1 342.443 1.304 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)COc1ccc(F)c(F)c1 ZINC000298218915 443723126 /nfs/dbraw/zinc/72/31/26/443723126.db2.gz AFRAYQVHPZVPSS-AWEZNQCLSA-N 2 1 326.387 1.921 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000521630189 320485021 /nfs/dbraw/zinc/48/50/21/320485021.db2.gz DBIZOGLDCZLNAO-FUHWJXTLSA-N 2 1 348.491 1.713 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(-n4ccnc4)nc3)[C@H]2C1 ZINC000292739328 443832128 /nfs/dbraw/zinc/83/21/28/443832128.db2.gz AHXNTLMWZDDAJP-DLBZAZTESA-N 2 1 327.432 1.562 20 0 EDADMP COCCN1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)CC1 ZINC000298678522 443836291 /nfs/dbraw/zinc/83/62/91/443836291.db2.gz WXLATHLVQSYQFB-OAHLLOKOSA-N 2 1 340.493 1.324 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292940792 443883990 /nfs/dbraw/zinc/88/39/90/443883990.db2.gz JVUPYIJDVXDXMI-KUHUBIRLSA-N 2 1 344.459 1.530 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)cn2cc[nH+]c12 ZINC000292908183 443876074 /nfs/dbraw/zinc/87/60/74/443876074.db2.gz AMLRTCNCFIGLCA-CQSZACIVSA-N 2 1 343.431 1.572 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)cn2cc[nH+]c12 ZINC000292908183 443876079 /nfs/dbraw/zinc/87/60/79/443876079.db2.gz AMLRTCNCFIGLCA-CQSZACIVSA-N 2 1 343.431 1.572 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000299473443 444055960 /nfs/dbraw/zinc/05/59/60/444055960.db2.gz YQPLYHDZSLRDHV-QRQLOZEOSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000299473443 444055962 /nfs/dbraw/zinc/05/59/62/444055962.db2.gz YQPLYHDZSLRDHV-QRQLOZEOSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000561013275 321031329 /nfs/dbraw/zinc/03/13/29/321031329.db2.gz IKFMILJAKBKBSK-OAHLLOKOSA-N 2 1 340.512 1.166 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000561013275 321031330 /nfs/dbraw/zinc/03/13/30/321031330.db2.gz IKFMILJAKBKBSK-OAHLLOKOSA-N 2 1 340.512 1.166 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000561013275 321031331 /nfs/dbraw/zinc/03/13/31/321031331.db2.gz IKFMILJAKBKBSK-OAHLLOKOSA-N 2 1 340.512 1.166 20 0 EDADMP COc1ccncc1CNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000562671790 321068440 /nfs/dbraw/zinc/06/84/40/321068440.db2.gz NIDGAJLAVNLZIL-SQWLQELKSA-N 2 1 332.448 1.962 20 0 EDADMP O=C(NCC1=CC[NH2+]CC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000562812170 321077734 /nfs/dbraw/zinc/07/77/34/321077734.db2.gz LPECCBWLOAECMR-SFHVURJKSA-N 2 1 328.460 1.727 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000563897418 321115030 /nfs/dbraw/zinc/11/50/30/321115030.db2.gz PKNUNKGCJWPHOY-QZTJIDSGSA-N 2 1 337.508 1.555 20 0 EDADMP C[NH+](C)CCn1c2cc(NC[C@@H](O)C[N@@H+](C)C3CC3)ccc2oc1=O ZINC000564863139 321152859 /nfs/dbraw/zinc/15/28/59/321152859.db2.gz IFNKGTOIWRHARO-OAHLLOKOSA-N 2 1 348.447 1.023 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000565312874 321181337 /nfs/dbraw/zinc/18/13/37/321181337.db2.gz MVHIKEHYOSZFGS-UHFFFAOYSA-N 2 1 346.519 1.500 20 0 EDADMP Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)nc1 ZINC000566078148 321213481 /nfs/dbraw/zinc/21/34/81/321213481.db2.gz VFPOPLRGGYVYFZ-BRWVUGGUSA-N 2 1 346.475 1.902 20 0 EDADMP Cn1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(-c2ccncc2)n1 ZINC000566974028 321238158 /nfs/dbraw/zinc/23/81/58/321238158.db2.gz UAOPHSLVSXSCGG-QGZVFWFLSA-N 2 1 341.459 1.669 20 0 EDADMP CN1C(=O)CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000567662851 321251857 /nfs/dbraw/zinc/25/18/57/321251857.db2.gz WWLDYNYWMHYCHI-FJIDUMEYSA-N 2 1 341.455 1.919 20 0 EDADMP CN1C(=O)CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC000567662851 321251859 /nfs/dbraw/zinc/25/18/59/321251859.db2.gz WWLDYNYWMHYCHI-FJIDUMEYSA-N 2 1 341.455 1.919 20 0 EDADMP C[C@@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CCC[NH2+]1 ZINC000567738421 321256737 /nfs/dbraw/zinc/25/67/37/321256737.db2.gz LQZJCOZHOPTKNZ-YJBOKZPZSA-N 2 1 330.432 1.217 20 0 EDADMP C[C@@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CCC[NH2+]1 ZINC000567738421 321256740 /nfs/dbraw/zinc/25/67/40/321256740.db2.gz LQZJCOZHOPTKNZ-YJBOKZPZSA-N 2 1 330.432 1.217 20 0 EDADMP CCC[C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CC[N@H+]1CCOC ZINC000568396852 321289856 /nfs/dbraw/zinc/28/98/56/321289856.db2.gz YVBNHUWWWMDWIM-LSDHHAIUSA-N 2 1 329.510 1.041 20 0 EDADMP O=C(C[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1)N1CCC1 ZINC000289308983 444103358 /nfs/dbraw/zinc/10/33/58/444103358.db2.gz IZGUNBKQONFUGH-OAHLLOKOSA-N 2 1 330.432 1.367 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1)N1CCC1 ZINC000289308983 444103360 /nfs/dbraw/zinc/10/33/60/444103360.db2.gz IZGUNBKQONFUGH-OAHLLOKOSA-N 2 1 330.432 1.367 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000571082881 321370246 /nfs/dbraw/zinc/37/02/46/321370246.db2.gz WELGSTCMIGSKHS-JONQDZQNSA-N 2 1 328.501 1.548 20 0 EDADMP C[C@H](C(=O)NCc1ccccc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289351343 444114770 /nfs/dbraw/zinc/11/47/70/444114770.db2.gz GEHYKCDXXCELKB-QGZVFWFLSA-N 2 1 334.508 1.507 20 0 EDADMP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1O ZINC000289451363 444147985 /nfs/dbraw/zinc/14/79/85/444147985.db2.gz NDVHMOBNSDEULD-ULQDDVLXSA-N 2 1 334.460 1.768 20 0 EDADMP [NH3+][C@H](CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)c1ccccc1 ZINC000575236186 321520124 /nfs/dbraw/zinc/52/01/24/321520124.db2.gz KPFRLPUTMUYQRY-IAGOWNOFSA-N 2 1 325.416 1.438 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000289667257 444188326 /nfs/dbraw/zinc/18/83/26/444188326.db2.gz DBDZWPQHDPVZAD-BRWVUGGUSA-N 2 1 345.491 1.096 20 0 EDADMP C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000304316007 444246679 /nfs/dbraw/zinc/24/66/79/444246679.db2.gz OIBJYZBJHJTUDB-VQTJNVASSA-N 2 1 347.503 1.133 20 0 EDADMP C[NH+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000304316007 444246682 /nfs/dbraw/zinc/24/66/82/444246682.db2.gz OIBJYZBJHJTUDB-VQTJNVASSA-N 2 1 347.503 1.133 20 0 EDADMP C[NH+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000304316007 444246684 /nfs/dbraw/zinc/24/66/84/444246684.db2.gz OIBJYZBJHJTUDB-VQTJNVASSA-N 2 1 347.503 1.133 20 0 EDADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000290153164 444248635 /nfs/dbraw/zinc/24/86/35/444248635.db2.gz NKNXZZBNPVQIOZ-RTBURBONSA-N 2 1 344.503 1.438 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000576758333 321593789 /nfs/dbraw/zinc/59/37/89/321593789.db2.gz NBWMZICYAZQQEL-GJZGRUSLSA-N 3 1 331.464 1.680 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000290298335 444264280 /nfs/dbraw/zinc/26/42/80/444264280.db2.gz IGRBWZZNHXHLNA-CYBMUJFWSA-N 2 1 332.448 1.415 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000290298335 444264282 /nfs/dbraw/zinc/26/42/82/444264282.db2.gz IGRBWZZNHXHLNA-CYBMUJFWSA-N 2 1 332.448 1.415 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000290298335 444264284 /nfs/dbraw/zinc/26/42/84/444264284.db2.gz IGRBWZZNHXHLNA-CYBMUJFWSA-N 2 1 332.448 1.415 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000290298335 444264286 /nfs/dbraw/zinc/26/42/86/444264286.db2.gz IGRBWZZNHXHLNA-CYBMUJFWSA-N 2 1 332.448 1.415 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000290298335 444264288 /nfs/dbraw/zinc/26/42/88/444264288.db2.gz IGRBWZZNHXHLNA-CYBMUJFWSA-N 2 1 332.448 1.415 20 0 EDADMP COC(=O)COC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000296520943 444236124 /nfs/dbraw/zinc/23/61/24/444236124.db2.gz SCEJCFHEHOTYIJ-INIZCTEOSA-N 2 1 349.475 1.102 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc(-c3ccco3)no2)CC1 ZINC000303318984 444236540 /nfs/dbraw/zinc/23/65/40/444236540.db2.gz USAPDZHNBOPAIB-ZDUSSCGKSA-N 2 1 334.420 1.854 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc(-c3ccco3)no2)CC1 ZINC000303318984 444236541 /nfs/dbraw/zinc/23/65/41/444236541.db2.gz USAPDZHNBOPAIB-ZDUSSCGKSA-N 2 1 334.420 1.854 20 0 EDADMP O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303412339 444237268 /nfs/dbraw/zinc/23/72/68/444237268.db2.gz XYXUZISWONTBGP-OALUTQOASA-N 2 1 339.524 1.268 20 0 EDADMP O[C@@H](CN1CCOCC1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303412339 444237271 /nfs/dbraw/zinc/23/72/71/444237271.db2.gz XYXUZISWONTBGP-OALUTQOASA-N 2 1 339.524 1.268 20 0 EDADMP CCc1ccc2[nH+]ccc(N(C)C[C@@H](O)C[NH+]3CCOCC3)c2c1 ZINC000297642042 444312350 /nfs/dbraw/zinc/31/23/50/444312350.db2.gz XWQCRQZYIWQMRC-MRXNPFEDSA-N 2 1 329.444 1.927 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000290733520 444316439 /nfs/dbraw/zinc/31/64/39/444316439.db2.gz XJQSDQYGCJQXFX-RDJZCZTQSA-N 2 1 332.448 1.759 20 0 EDADMP Cc1cc(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)cn2ccnc12 ZINC000297102351 444274741 /nfs/dbraw/zinc/27/47/41/444274741.db2.gz WLCORIFFMWYZPT-ZDUSSCGKSA-N 2 1 331.420 1.733 20 0 EDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000290796304 444324078 /nfs/dbraw/zinc/32/40/78/444324078.db2.gz VCIJFYCCKHEGMP-KRWDZBQOSA-N 2 1 335.473 1.563 20 0 EDADMP CC(C)OC[C@@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000305803674 444281395 /nfs/dbraw/zinc/28/13/95/444281395.db2.gz FPJSWWFEDQWJRX-WFFDWFOESA-N 2 1 325.497 1.015 20 0 EDADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CCN2C(=O)c3ccccc3C2=O)C1 ZINC000290557778 444294967 /nfs/dbraw/zinc/29/49/67/444294967.db2.gz SFGIKGORVJVJND-PBHICJAKSA-N 2 1 327.428 1.699 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CCN2C(=O)c3ccccc3C2=O)C1 ZINC000290557778 444294968 /nfs/dbraw/zinc/29/49/68/444294968.db2.gz SFGIKGORVJVJND-PBHICJAKSA-N 2 1 327.428 1.699 20 0 EDADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CCN2C(=O)c3ccccc3C2=O)C1 ZINC000290557778 444294971 /nfs/dbraw/zinc/29/49/71/444294971.db2.gz SFGIKGORVJVJND-PBHICJAKSA-N 2 1 327.428 1.699 20 0 EDADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CCN2C(=O)c3ccccc3C2=O)C1 ZINC000290557778 444294974 /nfs/dbraw/zinc/29/49/74/444294974.db2.gz SFGIKGORVJVJND-PBHICJAKSA-N 2 1 327.428 1.699 20 0 EDADMP O=C(NCC[NH+]1CCC1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000337712643 444367777 /nfs/dbraw/zinc/36/77/77/444367777.db2.gz HWOYTFNQTPILAP-HNNXBMFYSA-N 2 1 336.505 1.965 20 0 EDADMP O=C(CC[C@H]1CCC[NH2+]C1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000326582467 444376470 /nfs/dbraw/zinc/37/64/70/444376470.db2.gz BHDVZIXUOKOVFF-QGZVFWFLSA-N 2 1 345.487 1.915 20 0 EDADMP O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000329166158 444489919 /nfs/dbraw/zinc/48/99/19/444489919.db2.gz HXQMGYJTAASHCH-RBSFLKMASA-N 2 1 327.494 1.159 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+]C[C@H](O)C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000580065000 322004232 /nfs/dbraw/zinc/00/42/32/322004232.db2.gz FZWFNNBZSAJBEQ-HOTGVXAUSA-N 2 1 345.409 1.878 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1CCCC1 ZINC000580763818 322091821 /nfs/dbraw/zinc/09/18/21/322091821.db2.gz YYPWQTHXHQHWTE-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000580832236 322101271 /nfs/dbraw/zinc/10/12/71/322101271.db2.gz TXPJSRDZJDTCGR-DAYGRLMNSA-N 2 1 334.464 1.048 20 0 EDADMP COc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c(F)c1 ZINC000581015123 322125259 /nfs/dbraw/zinc/12/52/59/322125259.db2.gz FOMNNVPQSLNOST-UHFFFAOYSA-N 2 1 337.439 1.916 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000581235754 322152112 /nfs/dbraw/zinc/15/21/12/322152112.db2.gz IDLWEGHSQLUMKC-BZUAXINKSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000581430350 322176835 /nfs/dbraw/zinc/17/68/35/322176835.db2.gz ZZAOPDGXHQKAEW-KURKYZTESA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000332681242 444526782 /nfs/dbraw/zinc/52/67/82/444526782.db2.gz IKGYUPMBTOWDKT-IRXDYDNUSA-N 2 1 337.508 1.916 20 0 EDADMP C[C@@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)[N@@H+](C)Cc1ccccc1 ZINC000343769193 444578146 /nfs/dbraw/zinc/57/81/46/444578146.db2.gz LAIBBIWVOPPWGK-MIGBEJBISA-N 2 1 343.471 1.438 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000343856812 444630492 /nfs/dbraw/zinc/63/04/92/444630492.db2.gz ZDYYTTSBHFJWDW-HOCLYGCPSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000341187155 444717626 /nfs/dbraw/zinc/71/76/26/444717626.db2.gz CGNCYVIZQDBDQF-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341207602 444729621 /nfs/dbraw/zinc/72/96/21/444729621.db2.gz UFGVUAUBBOXRBI-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1CCOC ZINC000344018190 444730640 /nfs/dbraw/zinc/73/06/40/444730640.db2.gz VJRRUFZLXGUEKD-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1CCOC ZINC000344018190 444730643 /nfs/dbraw/zinc/73/06/43/444730643.db2.gz VJRRUFZLXGUEKD-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000334020807 444749329 /nfs/dbraw/zinc/74/93/29/444749329.db2.gz CYEAOGKHXUQYDX-ZNMIVQPWSA-N 2 1 326.485 1.268 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000334020807 444749333 /nfs/dbraw/zinc/74/93/33/444749333.db2.gz CYEAOGKHXUQYDX-ZNMIVQPWSA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000334020807 444749335 /nfs/dbraw/zinc/74/93/35/444749335.db2.gz CYEAOGKHXUQYDX-ZNMIVQPWSA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000334020807 444749339 /nfs/dbraw/zinc/74/93/39/444749339.db2.gz CYEAOGKHXUQYDX-ZNMIVQPWSA-N 2 1 326.485 1.268 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000341275181 444758035 /nfs/dbraw/zinc/75/80/35/444758035.db2.gz CPAYOYVCGRYXDE-DLBZAZTESA-N 2 1 346.475 1.135 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000341275181 444758038 /nfs/dbraw/zinc/75/80/38/444758038.db2.gz CPAYOYVCGRYXDE-DLBZAZTESA-N 2 1 346.475 1.135 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000341275181 444758042 /nfs/dbraw/zinc/75/80/42/444758042.db2.gz CPAYOYVCGRYXDE-DLBZAZTESA-N 2 1 346.475 1.135 20 0 EDADMP C[C@H](CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+](C)Cc1ccccc1 ZINC000344061536 444758456 /nfs/dbraw/zinc/75/84/56/444758456.db2.gz PURIFKRWJBANSC-MJGOQNOKSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)[N@H+](C)Cc1ccccc1 ZINC000344061536 444758458 /nfs/dbraw/zinc/75/84/58/444758458.db2.gz PURIFKRWJBANSC-MJGOQNOKSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)[N@@H+](C)Cc1ccccc1 ZINC000344061536 444758461 /nfs/dbraw/zinc/75/84/61/444758461.db2.gz PURIFKRWJBANSC-MJGOQNOKSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344063323 444759596 /nfs/dbraw/zinc/75/95/96/444759596.db2.gz NKAWEBNFQKEGSY-KURKYZTESA-N 2 1 340.556 1.885 20 0 EDADMP CCC[N@@H+](C)CC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000341304027 444770660 /nfs/dbraw/zinc/77/06/60/444770660.db2.gz SOAYSROCQMJNGC-UHFFFAOYSA-N 2 1 325.497 1.868 20 0 EDADMP CCn1ccnc1[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCCOCC1 ZINC000334077707 444772086 /nfs/dbraw/zinc/77/20/86/444772086.db2.gz KJCCIMODIWTZJJ-INIZCTEOSA-N 2 1 349.479 1.862 20 0 EDADMP CCn1ccnc1[C@@H]1CCCCN1C(=O)NCCN1CCCOCC1 ZINC000334077707 444772089 /nfs/dbraw/zinc/77/20/89/444772089.db2.gz KJCCIMODIWTZJJ-INIZCTEOSA-N 2 1 349.479 1.862 20 0 EDADMP C[C@@H]1C[C@@H](CO)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000344174545 444822097 /nfs/dbraw/zinc/82/20/97/444822097.db2.gz QVLAFDGKHSNJGG-SOLBZPMBSA-N 2 1 333.476 1.498 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000338731559 444827001 /nfs/dbraw/zinc/82/70/01/444827001.db2.gz QLCGCJKGUXIWEZ-UHFFFAOYSA-N 2 1 337.468 1.070 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000338731559 444827005 /nfs/dbraw/zinc/82/70/05/444827005.db2.gz QLCGCJKGUXIWEZ-UHFFFAOYSA-N 2 1 337.468 1.070 20 0 EDADMP C[C@@H]1C[C@H](C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000344235890 444855650 /nfs/dbraw/zinc/85/56/50/444855650.db2.gz MOYBKEGDBQVZGS-MDZRGWNJSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@@H]1C[C@H](C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000344235890 444855653 /nfs/dbraw/zinc/85/56/53/444855653.db2.gz MOYBKEGDBQVZGS-MDZRGWNJSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@@H]1C[C@H](C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000344235890 444855654 /nfs/dbraw/zinc/85/56/54/444855654.db2.gz MOYBKEGDBQVZGS-MDZRGWNJSA-N 2 1 345.487 1.600 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000337320530 445031976 /nfs/dbraw/zinc/03/19/76/445031976.db2.gz PEYLTSWAINDHOK-KSZLIROESA-N 2 1 327.513 1.434 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343147835 445095965 /nfs/dbraw/zinc/09/59/65/445095965.db2.gz DEEFEVKZWAVXKX-QRQLOZEOSA-N 2 1 342.487 1.328 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343147835 445095967 /nfs/dbraw/zinc/09/59/67/445095967.db2.gz DEEFEVKZWAVXKX-QRQLOZEOSA-N 2 1 342.487 1.328 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343147835 445095969 /nfs/dbraw/zinc/09/59/69/445095969.db2.gz DEEFEVKZWAVXKX-QRQLOZEOSA-N 2 1 342.487 1.328 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C)(C)CC2)C1 ZINC000339259960 445121427 /nfs/dbraw/zinc/12/14/27/445121427.db2.gz SQUYWPJMKRBRRJ-INIZCTEOSA-N 2 1 325.497 1.581 20 0 EDADMP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342089581 445165725 /nfs/dbraw/zinc/16/57/25/445165725.db2.gz RWGNZJCGEDMWJG-BHYGNILZSA-N 2 1 344.459 1.434 20 0 EDADMP CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342089581 445165729 /nfs/dbraw/zinc/16/57/29/445165729.db2.gz RWGNZJCGEDMWJG-BHYGNILZSA-N 2 1 344.459 1.434 20 0 EDADMP C[NH+](C)C1(CNC(=O)C[N@H+](C)[C@H]2CCSC2)Cc2ccccc2C1 ZINC000343279488 445175717 /nfs/dbraw/zinc/17/57/17/445175717.db2.gz ZBPIPAAESIUJDB-KRWDZBQOSA-N 2 1 347.528 1.639 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000339868843 445176506 /nfs/dbraw/zinc/17/65/06/445176506.db2.gz ZPZGOMGVJBBJRQ-UHFFFAOYSA-N 2 1 346.537 1.370 20 0 EDADMP CCNC(=O)C[C@@H]1CCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000342050425 445145182 /nfs/dbraw/zinc/14/51/82/445145182.db2.gz QXQLQEVULZVZBD-SFHVURJKSA-N 2 1 338.540 1.783 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000344862838 445146632 /nfs/dbraw/zinc/14/66/32/445146632.db2.gz OWKNSGPKFBADJS-VQIMIIECSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000344862838 445146636 /nfs/dbraw/zinc/14/66/36/445146636.db2.gz OWKNSGPKFBADJS-VQIMIIECSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000339547856 445149442 /nfs/dbraw/zinc/14/94/42/445149442.db2.gz VOVRBHZETIOGGA-HFTRVMKXSA-N 2 1 334.508 1.842 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CCC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000339654071 445158886 /nfs/dbraw/zinc/15/88/86/445158886.db2.gz OXLANHWOMROPKZ-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CCC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000339654071 445158888 /nfs/dbraw/zinc/15/88/88/445158888.db2.gz OXLANHWOMROPKZ-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCCC[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000346985012 445229229 /nfs/dbraw/zinc/22/92/29/445229229.db2.gz HKDNAXWSEKNBCB-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP O=C(CCN1CCN(Cc2ncc[nH]2)CC1)NCC1CCCCC1 ZINC000354605872 445311717 /nfs/dbraw/zinc/31/17/17/445311717.db2.gz XHSLETFNJNVHRZ-UHFFFAOYSA-N 2 1 333.480 1.614 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000343680075 445299110 /nfs/dbraw/zinc/29/91/10/445299110.db2.gz OPKBMFDEBVPPFV-MRXNPFEDSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000343680075 445299113 /nfs/dbraw/zinc/29/91/13/445299113.db2.gz OPKBMFDEBVPPFV-MRXNPFEDSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000343680075 445299116 /nfs/dbraw/zinc/29/91/16/445299116.db2.gz OPKBMFDEBVPPFV-MRXNPFEDSA-N 2 1 340.512 1.022 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000351865696 445347558 /nfs/dbraw/zinc/34/75/58/445347558.db2.gz OQDUJYZZTRICHQ-CBBWQLFWSA-N 2 1 349.475 1.939 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000351865696 445347561 /nfs/dbraw/zinc/34/75/61/445347561.db2.gz OQDUJYZZTRICHQ-CBBWQLFWSA-N 2 1 349.475 1.939 20 0 EDADMP CCN(C)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000359766543 445416413 /nfs/dbraw/zinc/41/64/13/445416413.db2.gz OEQMFOFGXFJSJH-MRXNPFEDSA-N 2 1 333.480 1.215 20 0 EDADMP CCN(C)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000359766543 445416418 /nfs/dbraw/zinc/41/64/18/445416418.db2.gz OEQMFOFGXFJSJH-MRXNPFEDSA-N 2 1 333.480 1.215 20 0 EDADMP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362548519 445433224 /nfs/dbraw/zinc/43/32/24/445433224.db2.gz UTQWKUWYUQRLQU-HZPDHXFCSA-N 2 1 330.476 1.965 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2cccn2C)cc[nH+]1 ZINC000354928953 445433498 /nfs/dbraw/zinc/43/34/98/445433498.db2.gz UTMNVXJCIVXDTC-HOCLYGCPSA-N 2 1 346.454 1.930 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2cccn2C)cc[nH+]1 ZINC000354928953 445433507 /nfs/dbraw/zinc/43/35/07/445433507.db2.gz UTMNVXJCIVXDTC-HOCLYGCPSA-N 2 1 346.454 1.930 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[NH2+]Cc2ccccn2)cc[nH+]1 ZINC000354935138 445435641 /nfs/dbraw/zinc/43/56/41/445435641.db2.gz ORALRRIYCRVZSK-HIFRSBDPSA-N 2 1 330.411 1.644 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000348909270 445437581 /nfs/dbraw/zinc/43/75/81/445437581.db2.gz INCRFUWALNREGA-UHFFFAOYSA-N 2 1 333.476 1.471 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](CCOC)[C@@H](CC)C1 ZINC000352033557 445452054 /nfs/dbraw/zinc/45/20/54/445452054.db2.gz USOIPDLCDNPSNE-INIZCTEOSA-N 2 1 328.501 1.471 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000352033557 445452058 /nfs/dbraw/zinc/45/20/58/445452058.db2.gz USOIPDLCDNPSNE-INIZCTEOSA-N 2 1 328.501 1.471 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000352033557 445452062 /nfs/dbraw/zinc/45/20/62/445452062.db2.gz USOIPDLCDNPSNE-INIZCTEOSA-N 2 1 328.501 1.471 20 0 EDADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000352126381 445510067 /nfs/dbraw/zinc/51/00/67/445510067.db2.gz SHDOKXJWQPYRIU-UYAOXDASSA-N 2 1 347.503 1.718 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000362735769 445524241 /nfs/dbraw/zinc/52/42/41/445524241.db2.gz QWVPNZKDMIPCHD-BBRMVZONSA-N 2 1 332.448 1.713 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)CCOC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000349060666 445491729 /nfs/dbraw/zinc/49/17/29/445491729.db2.gz VLLJJCFNULTYLM-WBVHZDCISA-N 2 1 331.460 1.534 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357644892 445572439 /nfs/dbraw/zinc/57/24/39/445572439.db2.gz ZYZOKGUWHZZJJB-BZUAXINKSA-N 2 1 328.501 1.514 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000362853936 445581618 /nfs/dbraw/zinc/58/16/18/445581618.db2.gz GJIUUSNEKZOOMI-INIZCTEOSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000353461746 445612823 /nfs/dbraw/zinc/61/28/23/445612823.db2.gz BKPQGUMJFKDASW-HDEZJCGLSA-N 2 1 337.508 1.626 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000353461746 445612825 /nfs/dbraw/zinc/61/28/25/445612825.db2.gz BKPQGUMJFKDASW-HDEZJCGLSA-N 2 1 337.508 1.626 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)C2CC(O)C2)CC1 ZINC000353486089 445624816 /nfs/dbraw/zinc/62/48/16/445624816.db2.gz WXPIAUPJGAGKLO-UHFFFAOYSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)C2CC(O)C2)CC1 ZINC000353486089 445624818 /nfs/dbraw/zinc/62/48/18/445624818.db2.gz WXPIAUPJGAGKLO-UHFFFAOYSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)C2CC(O)C2)CC1 ZINC000353486089 445624821 /nfs/dbraw/zinc/62/48/21/445624821.db2.gz WXPIAUPJGAGKLO-UHFFFAOYSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)C2CC(O)C2)CC1 ZINC000353486089 445624823 /nfs/dbraw/zinc/62/48/23/445624823.db2.gz WXPIAUPJGAGKLO-UHFFFAOYSA-N 2 1 345.487 1.484 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353497584 445628481 /nfs/dbraw/zinc/62/84/81/445628481.db2.gz DIUMTVLFIGUWTB-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000349660711 445638145 /nfs/dbraw/zinc/63/81/45/445638145.db2.gz DDHYSILWFRYPBO-HNNXBMFYSA-N 2 1 347.459 1.458 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000349660711 445638151 /nfs/dbraw/zinc/63/81/51/445638151.db2.gz DDHYSILWFRYPBO-HNNXBMFYSA-N 2 1 347.459 1.458 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000353417044 445593579 /nfs/dbraw/zinc/59/35/79/445593579.db2.gz ZCAFMLSSPSJSCF-HDMKZQKVSA-N 2 1 349.500 1.928 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000353417044 445593584 /nfs/dbraw/zinc/59/35/84/445593584.db2.gz ZCAFMLSSPSJSCF-HDMKZQKVSA-N 2 1 349.500 1.928 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000353576325 445663318 /nfs/dbraw/zinc/66/33/18/445663318.db2.gz FPBAIGUQXOEAIA-DOTOQJQBSA-N 2 1 346.475 1.840 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000349750662 445664793 /nfs/dbraw/zinc/66/47/93/445664793.db2.gz WZEQGGVFXHAAPR-DLBZAZTESA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000349750662 445664796 /nfs/dbraw/zinc/66/47/96/445664796.db2.gz WZEQGGVFXHAAPR-DLBZAZTESA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000349750662 445664798 /nfs/dbraw/zinc/66/47/98/445664798.db2.gz WZEQGGVFXHAAPR-DLBZAZTESA-N 2 1 338.496 1.221 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCCN(C(C)=O)CC2)CC1 ZINC000349751826 445664824 /nfs/dbraw/zinc/66/48/24/445664824.db2.gz YQYBUICOYQQUDY-UHFFFAOYSA-N 2 1 344.503 1.883 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000356202934 445673493 /nfs/dbraw/zinc/67/34/93/445673493.db2.gz IJPFASCZIGOIII-OWCLPIDISA-N 2 1 333.480 1.581 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)CCCC[NH+]2CCOCC2)CCCO1 ZINC000360290263 445680181 /nfs/dbraw/zinc/68/01/81/445680181.db2.gz CAYNHMVGGAITPC-QGZVFWFLSA-N 2 1 341.496 1.106 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)CCCC[NH+]2CCOCC2)CCCO1 ZINC000360290263 445680184 /nfs/dbraw/zinc/68/01/84/445680184.db2.gz CAYNHMVGGAITPC-QGZVFWFLSA-N 2 1 341.496 1.106 20 0 EDADMP CC[NH+](CC)CC(=O)NCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000363109487 445681583 /nfs/dbraw/zinc/68/15/83/445681583.db2.gz XBWRIILGKVHDNH-GOSISDBHSA-N 2 1 332.492 1.433 20 0 EDADMP FC(F)(F)CC[NH+]1CCC(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000360643471 445719397 /nfs/dbraw/zinc/71/93/97/445719397.db2.gz SZBLYVUJOODFAK-HUUCEWRRSA-N 2 1 335.414 1.856 20 0 EDADMP FC(F)(F)CC[NH+]1CCC(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000360643471 445719400 /nfs/dbraw/zinc/71/94/00/445719400.db2.gz SZBLYVUJOODFAK-HUUCEWRRSA-N 2 1 335.414 1.856 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)cn1 ZINC000353641068 445688936 /nfs/dbraw/zinc/68/89/36/445688936.db2.gz NWIOCMRELPBLNR-GOSISDBHSA-N 2 1 333.480 1.327 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)cn1 ZINC000353641068 445688941 /nfs/dbraw/zinc/68/89/41/445688941.db2.gz NWIOCMRELPBLNR-GOSISDBHSA-N 2 1 333.480 1.327 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000358695763 445722395 /nfs/dbraw/zinc/72/23/95/445722395.db2.gz ADWHGKFSADBJER-HNNXBMFYSA-N 2 1 328.501 1.110 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc(N3CCN(C)CC3)nc2)C[C@@H]1C ZINC000353743308 445736104 /nfs/dbraw/zinc/73/61/04/445736104.db2.gz CJRPGYNNRWBCMQ-FUHWJXTLSA-N 3 1 346.523 1.533 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000353743308 445736109 /nfs/dbraw/zinc/73/61/09/445736109.db2.gz CJRPGYNNRWBCMQ-FUHWJXTLSA-N 3 1 346.523 1.533 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000353743308 445736114 /nfs/dbraw/zinc/73/61/14/445736114.db2.gz CJRPGYNNRWBCMQ-FUHWJXTLSA-N 3 1 346.523 1.533 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000363304850 445758807 /nfs/dbraw/zinc/75/88/07/445758807.db2.gz LGNRRGYASYHESF-QAPCUYQASA-N 2 1 330.476 1.750 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000353794456 445759640 /nfs/dbraw/zinc/75/96/40/445759640.db2.gz MNTOHZCRPZUWHW-CEXWTWQISA-N 2 1 348.535 1.251 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000353808469 445765494 /nfs/dbraw/zinc/76/54/94/445765494.db2.gz RMELKQQKVXCVIP-IRXDYDNUSA-N 2 1 333.480 1.089 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000353808469 445765498 /nfs/dbraw/zinc/76/54/98/445765498.db2.gz RMELKQQKVXCVIP-IRXDYDNUSA-N 2 1 333.480 1.089 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C(N)=O)CCCC2)[C@H](C)C1 ZINC000361494075 445787626 /nfs/dbraw/zinc/78/76/26/445787626.db2.gz WLFNXRBXPUDBRU-CVEARBPZSA-N 2 1 325.497 1.759 20 0 EDADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361507323 445793354 /nfs/dbraw/zinc/79/33/54/445793354.db2.gz DHSGQZXFCWJDFA-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361507323 445793359 /nfs/dbraw/zinc/79/33/59/445793359.db2.gz DHSGQZXFCWJDFA-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[C@H]1C ZINC000358832332 445799571 /nfs/dbraw/zinc/79/95/71/445799571.db2.gz SIDQGHGFVKWVQW-ILXRZTDVSA-N 2 1 340.512 1.020 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[C@H]1C ZINC000358832332 445799575 /nfs/dbraw/zinc/79/95/75/445799575.db2.gz SIDQGHGFVKWVQW-ILXRZTDVSA-N 2 1 340.512 1.020 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCC[N@H+]1C ZINC000350619396 445856723 /nfs/dbraw/zinc/85/67/23/445856723.db2.gz QNJUDKXLNHRJRZ-RBSFLKMASA-N 2 1 340.512 1.068 20 0 EDADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000354021920 445859016 /nfs/dbraw/zinc/85/90/16/445859016.db2.gz ZQTSTEPIJHFLPM-MJGOQNOKSA-N 2 1 344.503 1.528 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000354021920 445859018 /nfs/dbraw/zinc/85/90/18/445859018.db2.gz ZQTSTEPIJHFLPM-MJGOQNOKSA-N 2 1 344.503 1.528 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000363655098 445863852 /nfs/dbraw/zinc/86/38/52/445863852.db2.gz AVXUEGBOKWUAIB-GOSISDBHSA-N 2 1 336.524 1.491 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000361774409 445933739 /nfs/dbraw/zinc/93/37/39/445933739.db2.gz SGOCQYMDGHMYKE-WBVHZDCISA-N 2 1 340.512 1.611 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1O ZINC000369112178 445935688 /nfs/dbraw/zinc/93/56/88/445935688.db2.gz KHPJVXNJAKADSN-RDJZCZTQSA-N 2 1 333.476 1.859 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1O ZINC000369112178 445935695 /nfs/dbraw/zinc/93/56/95/445935695.db2.gz KHPJVXNJAKADSN-RDJZCZTQSA-N 2 1 333.476 1.859 20 0 EDADMP CN(C(=O)NCCCn1cccn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364283415 445907425 /nfs/dbraw/zinc/90/74/25/445907425.db2.gz ZDTKTMCEJRTSQG-QGZVFWFLSA-N 2 1 348.495 1.083 20 0 EDADMP CCC[NH+]1CCN(C2CC[NH+](CC(=O)N3CCCCC3)CC2)CC1 ZINC000369153751 445956725 /nfs/dbraw/zinc/95/67/25/445956725.db2.gz FIXRUARYHLHJQW-UHFFFAOYSA-N 2 1 336.524 1.491 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)NCC[N@@H+](C)C2CCCCC2)n1 ZINC000361820428 445976490 /nfs/dbraw/zinc/97/64/90/445976490.db2.gz ZGQUKUMELLTVEW-UHFFFAOYSA-N 2 1 336.484 1.831 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000356765139 445996377 /nfs/dbraw/zinc/99/63/77/445996377.db2.gz HHUWLLDTJYPSLB-GOSISDBHSA-N 2 1 346.519 1.649 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000356765139 445996382 /nfs/dbraw/zinc/99/63/82/445996382.db2.gz HHUWLLDTJYPSLB-GOSISDBHSA-N 2 1 346.519 1.649 20 0 EDADMP CCn1cc(CC[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000351264673 446020513 /nfs/dbraw/zinc/02/05/13/446020513.db2.gz BDEYJAAGJWNIBG-HDICACEKSA-N 2 1 333.524 1.936 20 0 EDADMP CCn1cc(CC[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000351264673 446020519 /nfs/dbraw/zinc/02/05/19/446020519.db2.gz BDEYJAAGJWNIBG-HDICACEKSA-N 2 1 333.524 1.936 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@@H]3CCc4[nH]cnc4C3)CC2)CCO1 ZINC000366115199 446022184 /nfs/dbraw/zinc/02/21/84/446022184.db2.gz IIQHIZQZVHNFNL-ZIAGYGMSSA-N 2 1 347.463 1.162 20 0 EDADMP C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CCc4nc[nH]c4C3)CC2)CCO1 ZINC000366115199 446022188 /nfs/dbraw/zinc/02/21/88/446022188.db2.gz IIQHIZQZVHNFNL-ZIAGYGMSSA-N 2 1 347.463 1.162 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]31)CC2 ZINC000582849420 325943414 /nfs/dbraw/zinc/94/34/14/325943414.db2.gz KDEFBAYMQJJWHC-XYVMCAHJSA-N 2 1 346.475 1.464 20 0 EDADMP O=C(NCC1CC[NH+](C2CC2)CC1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000373102506 446028947 /nfs/dbraw/zinc/02/89/47/446028947.db2.gz AHYRENMZJIQGOX-SJORKVTESA-N 2 1 336.480 1.023 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000373113549 446036175 /nfs/dbraw/zinc/03/61/75/446036175.db2.gz UQLOXAXOYYCXQT-UHFFFAOYSA-N 2 1 341.455 1.894 20 0 EDADMP CN(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000369277955 446044314 /nfs/dbraw/zinc/04/43/14/446044314.db2.gz OOZXLNFEGQYIHF-OAHLLOKOSA-N 2 1 331.464 1.046 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000583569695 326097762 /nfs/dbraw/zinc/09/77/62/326097762.db2.gz JPEHJSMRRWNEFO-QGZVFWFLSA-N 2 1 340.512 1.661 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)[C@@H](C)C1 ZINC000583635700 326109330 /nfs/dbraw/zinc/10/93/30/326109330.db2.gz RGIHDVPKICPKOH-BQFCYCMXSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCN(c2cccc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)n2)CC1 ZINC000583646515 326111640 /nfs/dbraw/zinc/11/16/40/326111640.db2.gz UYRDKDHIVPBHFC-NVXWUHKLSA-N 2 1 343.475 1.190 20 0 EDADMP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351480509 446080824 /nfs/dbraw/zinc/08/08/24/446080824.db2.gz VLSGAIDWNJCMRR-OFQRWUPVSA-N 2 1 335.423 1.332 20 0 EDADMP CN(CCOc1ccccc1F)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351480509 446080831 /nfs/dbraw/zinc/08/08/31/446080831.db2.gz VLSGAIDWNJCMRR-OFQRWUPVSA-N 2 1 335.423 1.332 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000373182165 446081647 /nfs/dbraw/zinc/08/16/47/446081647.db2.gz ZQABNHSZIFBCRI-WWGRRREGSA-N 2 1 325.478 1.611 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H]3CC4(CC4)C(=O)O3)CC2)C[C@H](C)O1 ZINC000369348612 446091444 /nfs/dbraw/zinc/09/14/44/446091444.db2.gz JLWGICSWNCZNHX-HLLBOEOZSA-N 2 1 336.476 1.903 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NCCc3ccccc3F)C2)CC1 ZINC000365258985 446107099 /nfs/dbraw/zinc/10/70/99/446107099.db2.gz ISFJYNWLTKOFDO-INIZCTEOSA-N 2 1 348.466 1.836 20 0 EDADMP Cc1nccc(CN2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2=O)n1 ZINC000369890925 446164866 /nfs/dbraw/zinc/16/48/66/446164866.db2.gz BBVGRRIPNCUXHO-NXHRZFHOSA-N 2 1 343.475 1.492 20 0 EDADMP Cc1nccc(CN2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2=O)n1 ZINC000369890925 446164871 /nfs/dbraw/zinc/16/48/71/446164871.db2.gz BBVGRRIPNCUXHO-NXHRZFHOSA-N 2 1 343.475 1.492 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC000369967275 446170564 /nfs/dbraw/zinc/17/05/64/446170564.db2.gz MPTRITVBGDRISK-FUHWJXTLSA-N 3 1 336.524 1.345 20 0 EDADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000369967275 446170571 /nfs/dbraw/zinc/17/05/71/446170571.db2.gz MPTRITVBGDRISK-FUHWJXTLSA-N 3 1 336.524 1.345 20 0 EDADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000369967275 446170575 /nfs/dbraw/zinc/17/05/75/446170575.db2.gz MPTRITVBGDRISK-FUHWJXTLSA-N 3 1 336.524 1.345 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000369967275 446170583 /nfs/dbraw/zinc/17/05/83/446170583.db2.gz MPTRITVBGDRISK-FUHWJXTLSA-N 2 1 336.524 1.345 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000369967275 446170590 /nfs/dbraw/zinc/17/05/90/446170590.db2.gz MPTRITVBGDRISK-FUHWJXTLSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365390769 446184396 /nfs/dbraw/zinc/18/43/96/446184396.db2.gz KOXNBNTVQYLFKT-FUHWJXTLSA-N 2 1 347.507 1.781 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366318950 446146346 /nfs/dbraw/zinc/14/63/46/446146346.db2.gz AEGIGLOUGPWULM-MRXNPFEDSA-N 3 1 338.540 1.497 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH2+]3)[C@H](C)C2)s1 ZINC000366319816 446147770 /nfs/dbraw/zinc/14/77/70/446147770.db2.gz CJHOBOKJIUUQII-KCXAZCMYSA-N 2 1 336.505 1.920 20 0 EDADMP CCC(CC)[C@H](C(=O)NCC[N@H+](CC)C(C)C)[NH+]1CCOCC1 ZINC000359322653 446148137 /nfs/dbraw/zinc/14/81/37/446148137.db2.gz XEMBDCCGQPAERZ-QGZVFWFLSA-N 2 1 327.513 1.970 20 0 EDADMP CCC(CC)[C@H](C(=O)NCC[N@@H+](CC)C(C)C)[NH+]1CCOCC1 ZINC000359322653 446148140 /nfs/dbraw/zinc/14/81/40/446148140.db2.gz XEMBDCCGQPAERZ-QGZVFWFLSA-N 2 1 327.513 1.970 20 0 EDADMP O=C(CC1CC[NH2+]CC1)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000366328803 446155141 /nfs/dbraw/zinc/15/51/41/446155141.db2.gz WJSVHKJSNIZFHS-SFHVURJKSA-N 2 1 330.476 1.800 20 0 EDADMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000370228542 446194544 /nfs/dbraw/zinc/19/45/44/446194544.db2.gz SOHHBSDPCSLJOV-HOTGVXAUSA-N 2 1 348.495 1.925 20 0 EDADMP O=C(NC1C[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000366412576 446200419 /nfs/dbraw/zinc/20/04/19/446200419.db2.gz CMSRYVUITXNUTR-OAHLLOKOSA-N 2 1 340.427 1.642 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CCc2cncn2C)C[C@H](C)O1 ZINC000373711970 446310046 /nfs/dbraw/zinc/31/00/46/446310046.db2.gz DWQQRPVXNABHHX-UXLLHSPISA-N 2 1 334.464 1.453 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCc2cncn2C)C[C@H](C)O1 ZINC000373711970 446310048 /nfs/dbraw/zinc/31/00/48/446310048.db2.gz DWQQRPVXNABHHX-UXLLHSPISA-N 2 1 334.464 1.453 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000365732059 446319645 /nfs/dbraw/zinc/31/96/45/446319645.db2.gz DDHAHCPLHVFEGQ-BBWFWOEESA-N 2 1 337.464 1.536 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000365732059 446319649 /nfs/dbraw/zinc/31/96/49/446319649.db2.gz DDHAHCPLHVFEGQ-BBWFWOEESA-N 2 1 337.464 1.536 20 0 EDADMP O=C(NCCC[NH2+]C1CC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417503781 446356151 /nfs/dbraw/zinc/35/61/51/446356151.db2.gz MKZMZCHUYGRCID-GOSISDBHSA-N 2 1 344.503 1.992 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516839 446360819 /nfs/dbraw/zinc/36/08/19/446360819.db2.gz OVOSNLJKCULPKO-SJORKVTESA-N 2 1 334.464 1.357 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N(C)C2CC([NH3+])C2)[C@@H](C)C1 ZINC000417670236 446369782 /nfs/dbraw/zinc/36/97/82/446369782.db2.gz NNDGAASCNBOYEX-SLTXQBBLSA-N 2 1 326.485 1.255 20 0 EDADMP CC[C@H](NC(=O)NCC[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417893602 446378073 /nfs/dbraw/zinc/37/80/73/446378073.db2.gz NAAAVRZEBVRQKI-DLBZAZTESA-N 2 1 334.464 1.185 20 0 EDADMP CC[C@H](NC(=O)NCC[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417893602 446378078 /nfs/dbraw/zinc/37/80/78/446378078.db2.gz NAAAVRZEBVRQKI-DLBZAZTESA-N 2 1 334.464 1.185 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)C2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000417922099 446386349 /nfs/dbraw/zinc/38/63/49/446386349.db2.gz IQLDARDHHKVFQZ-NVXWUHKLSA-N 2 1 330.476 1.900 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC000366861271 446386455 /nfs/dbraw/zinc/38/64/55/446386455.db2.gz DWGMBBDRCLLEKF-OALUTQOASA-N 2 1 343.471 1.933 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC000366861271 446386458 /nfs/dbraw/zinc/38/64/58/446386458.db2.gz DWGMBBDRCLLEKF-OALUTQOASA-N 2 1 343.471 1.933 20 0 EDADMP CC(C)(C[NH3+])NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418070703 446430939 /nfs/dbraw/zinc/43/09/39/446430939.db2.gz HHPOTLDVXHMNRD-INIZCTEOSA-N 2 1 334.464 1.314 20 0 EDADMP [NH3+]CCCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418071451 446431568 /nfs/dbraw/zinc/43/15/68/446431568.db2.gz ITCXSGATDRAYLC-KRWDZBQOSA-N 2 1 334.464 1.316 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418074454 446432127 /nfs/dbraw/zinc/43/21/27/446432127.db2.gz FFUWLFXOKQELKO-GOEBONIOSA-N 2 1 336.505 1.511 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418074454 446432131 /nfs/dbraw/zinc/43/21/31/446432131.db2.gz FFUWLFXOKQELKO-GOEBONIOSA-N 2 1 336.505 1.511 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418095535 446439260 /nfs/dbraw/zinc/43/92/60/446439260.db2.gz GKKDBIHKUPNTKP-MRXNPFEDSA-N 2 1 340.512 1.646 20 0 EDADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000376340994 446439422 /nfs/dbraw/zinc/43/94/22/446439422.db2.gz YMTZPHGYPXHBFZ-KBPBESRZSA-N 2 1 334.468 1.254 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000418181639 446449822 /nfs/dbraw/zinc/44/98/22/446449822.db2.gz LIMXGJFDFDLTGC-OFQRWUPVSA-N 2 1 336.484 1.086 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000418184404 446450577 /nfs/dbraw/zinc/45/05/77/446450577.db2.gz PWWWDSQEJHABBS-NJAFHUGGSA-N 2 1 348.491 1.746 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000418184404 446450583 /nfs/dbraw/zinc/45/05/83/446450583.db2.gz PWWWDSQEJHABBS-NJAFHUGGSA-N 2 1 348.491 1.746 20 0 EDADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n(C)n1 ZINC000417976549 446405737 /nfs/dbraw/zinc/40/57/37/446405737.db2.gz GJOYVDQDSVEQLG-GOSISDBHSA-N 2 1 328.460 1.975 20 0 EDADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)n(C)n1 ZINC000417976549 446405740 /nfs/dbraw/zinc/40/57/40/446405740.db2.gz GJOYVDQDSVEQLG-GOSISDBHSA-N 2 1 328.460 1.975 20 0 EDADMP CCOC(=O)c1c[nH+]c2cc3c(cc2c1N1C[C@@H](C)[C@H]([NH3+])C1)OCO3 ZINC000420285452 446451450 /nfs/dbraw/zinc/45/14/50/446451450.db2.gz VPNOAEGJIQFNFA-ZWNOBZJWSA-N 2 1 343.383 1.924 20 0 EDADMP Cc1nccn1-c1cccc(N2CCC([N@@H+](C)CCCO)CC2)n1 ZINC000370747719 446414113 /nfs/dbraw/zinc/41/41/13/446414113.db2.gz BSFZUTCSRNDNJB-UHFFFAOYSA-N 2 1 329.448 1.859 20 0 EDADMP Cc1[nH+]ccn1-c1cccc(N2CCC([N@H+](C)CCCO)CC2)n1 ZINC000370747719 446414115 /nfs/dbraw/zinc/41/41/15/446414115.db2.gz BSFZUTCSRNDNJB-UHFFFAOYSA-N 2 1 329.448 1.859 20 0 EDADMP Cc1[nH+]ccn1-c1cccc(N2CCC([N@@H+](C)CCCO)CC2)n1 ZINC000370747719 446414119 /nfs/dbraw/zinc/41/41/19/446414119.db2.gz BSFZUTCSRNDNJB-UHFFFAOYSA-N 2 1 329.448 1.859 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000418014357 446416412 /nfs/dbraw/zinc/41/64/12/446416412.db2.gz OEGZCGYDOKQFLV-MAUKXSAKSA-N 2 1 330.476 1.900 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418043894 446423636 /nfs/dbraw/zinc/42/36/36/446423636.db2.gz ZGKQZNGZBNRLAY-MSOLQXFVSA-N 2 1 348.491 1.431 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000370766829 446425882 /nfs/dbraw/zinc/42/58/82/446425882.db2.gz OTQYUNDJPQOSJI-ZBFHGGJFSA-N 2 1 346.479 1.292 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000418197552 446455456 /nfs/dbraw/zinc/45/54/56/446455456.db2.gz TWWRZCZATKOWEX-DDBAPUKQSA-N 2 1 328.460 1.653 20 0 EDADMP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 ZINC000420292211 446456736 /nfs/dbraw/zinc/45/67/36/446456736.db2.gz LONKTTSLIWUJGE-LLVKDONJSA-N 2 1 345.426 1.896 20 0 EDADMP CCn1ccnc1C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000420303318 446466748 /nfs/dbraw/zinc/46/67/48/446466748.db2.gz CUEOIMKEEITJLG-IRXDYDNUSA-N 3 1 331.508 1.847 20 0 EDADMP CCn1ccnc1CN(CC[C@@H]1CC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000420303318 446466756 /nfs/dbraw/zinc/46/67/56/446466756.db2.gz CUEOIMKEEITJLG-IRXDYDNUSA-N 2 1 331.508 1.847 20 0 EDADMP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[NH2+]CC1 ZINC000420309407 446472078 /nfs/dbraw/zinc/47/20/78/446472078.db2.gz LIGVIQAGXAKOFJ-MOPGFXCFSA-N 3 1 346.519 1.870 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCCCC1CCOCC1 ZINC000420310653 446473232 /nfs/dbraw/zinc/47/32/32/446473232.db2.gz MQTHVEDXBCMMRI-KRWDZBQOSA-N 2 1 325.497 1.903 20 0 EDADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000420310148 446473246 /nfs/dbraw/zinc/47/32/46/446473246.db2.gz MHYXQVBYXODTSC-HZPDHXFCSA-N 2 1 339.480 1.395 20 0 EDADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000420310148 446473254 /nfs/dbraw/zinc/47/32/54/446473254.db2.gz MHYXQVBYXODTSC-HZPDHXFCSA-N 2 1 339.480 1.395 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423324175 446487181 /nfs/dbraw/zinc/48/71/81/446487181.db2.gz ATHUFGNICNWSEX-AWEZNQCLSA-N 2 1 346.475 1.427 20 0 EDADMP CC(=O)c1ccccc1OCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420326188 446492626 /nfs/dbraw/zinc/49/26/26/446492626.db2.gz JLWUHMFFANEWHC-INIZCTEOSA-N 2 1 332.444 1.955 20 0 EDADMP C[C@@H](C1CC1)N(C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CC1 ZINC000420324739 446491586 /nfs/dbraw/zinc/49/15/86/446491586.db2.gz HOXZESNTHGPLID-GOEBONIOSA-N 2 1 335.492 1.463 20 0 EDADMP CC(=O)c1ccccc1OCC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420326188 446492635 /nfs/dbraw/zinc/49/26/35/446492635.db2.gz JLWUHMFFANEWHC-INIZCTEOSA-N 2 1 332.444 1.955 20 0 EDADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420332030 446502083 /nfs/dbraw/zinc/50/20/83/446502083.db2.gz REEYZEYPMSBVEK-CVEARBPZSA-N 2 1 325.497 1.567 20 0 EDADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420332030 446502089 /nfs/dbraw/zinc/50/20/89/446502089.db2.gz REEYZEYPMSBVEK-CVEARBPZSA-N 2 1 325.497 1.567 20 0 EDADMP O=C(NCC[C@H]1CC[NH2+]C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418332354 446503311 /nfs/dbraw/zinc/50/33/11/446503311.db2.gz FHISSGKGZAKNRZ-QRQLOZEOSA-N 2 1 342.487 1.759 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374998690 446504177 /nfs/dbraw/zinc/50/41/77/446504177.db2.gz NVBMWLAVMCJQFE-UHFFFAOYSA-N 2 1 333.476 1.412 20 0 EDADMP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000420336410 446505890 /nfs/dbraw/zinc/50/58/90/446505890.db2.gz MIDJIYDZPCNVQE-SOUVJXGZSA-N 2 1 347.459 1.962 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418349478 446508730 /nfs/dbraw/zinc/50/87/30/446508730.db2.gz SDABEBPRFLZQCQ-IEBWSBKVSA-N 2 1 344.503 1.944 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[C@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000418349748 446509285 /nfs/dbraw/zinc/50/92/85/446509285.db2.gz XXSBTSGGELRZJL-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000423378182 446509694 /nfs/dbraw/zinc/50/96/94/446509694.db2.gz ZKQUZDDYOLYDID-DOTOQJQBSA-N 2 1 331.460 1.707 20 0 EDADMP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420340274 446511553 /nfs/dbraw/zinc/51/15/53/446511553.db2.gz ZUMHYLWCUVONSL-HOCLYGCPSA-N 2 1 349.450 1.518 20 0 EDADMP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420340274 446511560 /nfs/dbraw/zinc/51/15/60/446511560.db2.gz ZUMHYLWCUVONSL-HOCLYGCPSA-N 2 1 349.450 1.518 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH2+]Cc2cccnc2)[C@@H](C)C1 ZINC000418323989 446498339 /nfs/dbraw/zinc/49/83/39/446498339.db2.gz GKJZYMMMSQVYCG-FUHWJXTLSA-N 2 1 347.507 1.933 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCc1cc(F)cc(F)c1 ZINC000420329722 446499751 /nfs/dbraw/zinc/49/97/51/446499751.db2.gz OVOOHIXTJXLLGX-GJZGRUSLSA-N 2 1 337.414 1.903 20 0 EDADMP CC[NH2+]CCNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000418328473 446501069 /nfs/dbraw/zinc/50/10/69/446501069.db2.gz SHAWAKOPLIMKPR-KRWDZBQOSA-N 2 1 333.480 1.687 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000420389791 446564977 /nfs/dbraw/zinc/56/49/77/446564977.db2.gz YUYQDLPXVKSVGO-DZGCQCFKSA-N 2 1 335.448 1.237 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000420389791 446564980 /nfs/dbraw/zinc/56/49/80/446564980.db2.gz YUYQDLPXVKSVGO-DZGCQCFKSA-N 2 1 335.448 1.237 20 0 EDADMP c1ccc(OCCOCC[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000420391689 446566542 /nfs/dbraw/zinc/56/65/42/446566542.db2.gz TVBYMULWYSEAOG-MOPGFXCFSA-N 2 1 346.471 1.782 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1ccccc1 ZINC000423400689 446518549 /nfs/dbraw/zinc/51/85/49/446518549.db2.gz WTKZFBOSGICWHP-MSOLQXFVSA-N 2 1 333.476 1.940 20 0 EDADMP O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)N[C@H]1CCCC[NH2+]C1 ZINC000418370553 446518595 /nfs/dbraw/zinc/51/85/95/446518595.db2.gz PSAHKUIFJKWPCU-OKZBNKHCSA-N 2 1 346.475 1.063 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000420391606 446566827 /nfs/dbraw/zinc/56/68/27/446566827.db2.gz OOYFEQWQTLWZJA-JCGIZDLHSA-N 2 1 348.466 1.105 20 0 EDADMP c1ccc(-c2noc(CCC[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420348855 446525683 /nfs/dbraw/zinc/52/56/83/446525683.db2.gz NAACGXFEBCCUFS-KRWDZBQOSA-N 2 1 341.459 1.649 20 0 EDADMP Cc1cccc(-c2noc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000420349803 446527047 /nfs/dbraw/zinc/52/70/47/446527047.db2.gz QOFZQMWBCAMEBX-INIZCTEOSA-N 2 1 327.432 1.525 20 0 EDADMP Cc1cccc(-c2noc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000420349803 446527054 /nfs/dbraw/zinc/52/70/54/446527054.db2.gz QOFZQMWBCAMEBX-INIZCTEOSA-N 2 1 327.432 1.525 20 0 EDADMP Cc1ccc(NCCCNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)[nH+]c1 ZINC000423421082 446528097 /nfs/dbraw/zinc/52/80/97/446528097.db2.gz JRQYBTRXICBTBU-AWEZNQCLSA-N 2 1 342.447 1.812 20 0 EDADMP CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420350141 446528222 /nfs/dbraw/zinc/52/82/22/446528222.db2.gz RNDOPFONDDTUCD-QUCCMNQESA-N 2 1 344.503 1.479 20 0 EDADMP CC(C)[C@H](NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420350141 446528226 /nfs/dbraw/zinc/52/82/26/446528226.db2.gz RNDOPFONDDTUCD-QUCCMNQESA-N 2 1 344.503 1.479 20 0 EDADMP CCOC(=O)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)nc1 ZINC000411421099 446533632 /nfs/dbraw/zinc/53/36/32/446533632.db2.gz IAVNVLTWQCBLJL-UHFFFAOYSA-N 2 1 334.464 1.328 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418411720 446533968 /nfs/dbraw/zinc/53/39/68/446533968.db2.gz QNGVVGLGQLDTDJ-HLLBOEOZSA-N 2 1 340.512 1.501 20 0 EDADMP C[NH+](C)C[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453106261 446545262 /nfs/dbraw/zinc/54/52/62/446545262.db2.gz YLVUWZAHIHJTJF-UAFMIMERSA-N 3 1 331.504 1.942 20 0 EDADMP COc1cccc(OCC[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420369101 446548341 /nfs/dbraw/zinc/54/83/41/446548341.db2.gz BNZXDSRGZXXTNV-HNNXBMFYSA-N 2 1 331.420 1.461 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCOCCOc3ccccc3)C2)nn1 ZINC000420369027 446549450 /nfs/dbraw/zinc/54/94/50/446549450.db2.gz BFSHVZKQMGQDLY-QGZVFWFLSA-N 2 1 345.447 1.469 20 0 EDADMP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CCOCC1 ZINC000453202075 446551042 /nfs/dbraw/zinc/55/10/42/446551042.db2.gz YEUACLVVTHMDMV-LPHOPBHVSA-N 2 1 348.487 1.927 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418472076 446556239 /nfs/dbraw/zinc/55/62/39/446556239.db2.gz SAEUUICRUIEQEV-KURKYZTESA-N 2 1 348.491 1.439 20 0 EDADMP CCc1cccc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000420397877 446571262 /nfs/dbraw/zinc/57/12/62/446571262.db2.gz GAIANKGXSNJGEB-OALUTQOASA-N 2 1 342.487 1.969 20 0 EDADMP O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418520863 446578619 /nfs/dbraw/zinc/57/86/19/446578619.db2.gz HYYVECXLCLNHFY-QRVBRYPASA-N 2 1 342.487 1.759 20 0 EDADMP C[C@@H](NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1)c1ccc2ccccc2c1 ZINC000420405765 446578907 /nfs/dbraw/zinc/57/89/07/446578907.db2.gz PMBVNHSMLLRMDB-OAHLLOKOSA-N 2 1 341.455 1.803 20 0 EDADMP Cc1ccc(CC[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420405967 446580006 /nfs/dbraw/zinc/58/00/06/446580006.db2.gz QFRBQHOJRBAGMD-MOPGFXCFSA-N 2 1 342.487 1.758 20 0 EDADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420409104 446583630 /nfs/dbraw/zinc/58/36/30/446583630.db2.gz XKTCNIBXCMMZND-NSHDSACASA-N 2 1 341.839 1.461 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC1=CC[NH2+]CC1 ZINC000418541367 446586320 /nfs/dbraw/zinc/58/63/20/446586320.db2.gz QGQPCRGSJBCNBA-MRXNPFEDSA-N 2 1 328.460 1.822 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC1=CC[NH2+]CC1 ZINC000418541367 446586327 /nfs/dbraw/zinc/58/63/27/446586327.db2.gz QGQPCRGSJBCNBA-MRXNPFEDSA-N 2 1 328.460 1.822 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418547563 446589618 /nfs/dbraw/zinc/58/96/18/446589618.db2.gz JFMHEURDPZKOGZ-NJAFHUGGSA-N 2 1 330.476 1.900 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418574086 446600712 /nfs/dbraw/zinc/60/07/12/446600712.db2.gz LUGDFPAIJAJDLX-BBWFWOEESA-N 3 1 339.528 1.042 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000433871493 446603704 /nfs/dbraw/zinc/60/37/04/446603704.db2.gz CXAOADPZNKLSPK-DOTOQJQBSA-N 2 1 337.489 1.463 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2CC)CC1 ZINC000418655311 446635899 /nfs/dbraw/zinc/63/58/99/446635899.db2.gz QRLOVIKZFHQQKU-GOSISDBHSA-N 2 1 348.491 1.613 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1C[C@H](C)O ZINC000418667475 446641996 /nfs/dbraw/zinc/64/19/96/446641996.db2.gz MQZDQUVIHOGMPF-LUKYLMHMSA-N 2 1 340.512 1.238 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1CC ZINC000418732396 446659311 /nfs/dbraw/zinc/65/93/11/446659311.db2.gz JMTOASWWHXFESX-IKGGRYGDSA-N 2 1 340.512 1.646 20 0 EDADMP C[C@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@H+]1CC(C)(C)O ZINC000418743389 446664644 /nfs/dbraw/zinc/66/46/44/446664644.db2.gz ANXOLOASLBMIKT-LSDHHAIUSA-N 2 1 326.485 1.005 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000376721881 446677641 /nfs/dbraw/zinc/67/76/41/446677641.db2.gz RFFDUUMZHBNEIH-QGZVFWFLSA-N 2 1 331.460 1.145 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418627796 446622139 /nfs/dbraw/zinc/62/21/39/446622139.db2.gz OCANICGRIXGPHX-BPQIPLTHSA-N 2 1 330.476 1.758 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000434265480 446631654 /nfs/dbraw/zinc/63/16/54/446631654.db2.gz GWJSLKIEKSQLPA-OAHLLOKOSA-N 2 1 338.496 1.223 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000434265480 446631660 /nfs/dbraw/zinc/63/16/60/446631660.db2.gz GWJSLKIEKSQLPA-OAHLLOKOSA-N 2 1 338.496 1.223 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000434265480 446631665 /nfs/dbraw/zinc/63/16/65/446631665.db2.gz GWJSLKIEKSQLPA-OAHLLOKOSA-N 2 1 338.496 1.223 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000434265480 446631671 /nfs/dbraw/zinc/63/16/71/446631671.db2.gz GWJSLKIEKSQLPA-OAHLLOKOSA-N 2 1 338.496 1.223 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000418654552 446635433 /nfs/dbraw/zinc/63/54/33/446635433.db2.gz PURIKAUZECBGDI-WMZOPIPTSA-N 2 1 348.491 1.395 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CC[NH2+][C@H]3CC)CC2)cn1 ZINC000423760085 446688692 /nfs/dbraw/zinc/68/86/92/446688692.db2.gz QAAUCAUHSDLVCC-ROUUACIJSA-N 2 1 347.507 1.716 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CC[NH2+][C@H]3CC)CC2)cn1 ZINC000423760085 446688701 /nfs/dbraw/zinc/68/87/01/446688701.db2.gz QAAUCAUHSDLVCC-ROUUACIJSA-N 2 1 347.507 1.716 20 0 EDADMP C[C@@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423762953 446690761 /nfs/dbraw/zinc/69/07/61/446690761.db2.gz PATGNUUDUKWIHR-KYHPRHEASA-N 2 1 333.476 1.890 20 0 EDADMP C[C@@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423762953 446690767 /nfs/dbraw/zinc/69/07/67/446690767.db2.gz PATGNUUDUKWIHR-KYHPRHEASA-N 2 1 333.476 1.890 20 0 EDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000423763132 446692041 /nfs/dbraw/zinc/69/20/41/446692041.db2.gz RAUASAMIKFVPQQ-HNNXBMFYSA-N 2 1 348.495 1.367 20 0 EDADMP COCCC[NH+]1CCC(Nc2nc(N[C@@H]3CCCOC3)cc[nH+]2)CC1 ZINC000435350165 446694013 /nfs/dbraw/zinc/69/40/13/446694013.db2.gz NNZGRHLZBYUPKI-MRXNPFEDSA-N 2 1 349.479 1.980 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@@H]([NH3+])c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000423879295 446739166 /nfs/dbraw/zinc/73/91/66/446739166.db2.gz QWBKZZKFBUKEDU-KBAYOESNSA-N 2 1 331.460 1.646 20 0 EDADMP O=C(CC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)N1CCOCC1 ZINC000435627243 446704935 /nfs/dbraw/zinc/70/49/35/446704935.db2.gz NCBAFJSMHIVVKX-SFHVURJKSA-N 2 1 346.475 1.275 20 0 EDADMP O=C(CC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)N1CCOCC1 ZINC000435627243 446704941 /nfs/dbraw/zinc/70/49/41/446704941.db2.gz NCBAFJSMHIVVKX-SFHVURJKSA-N 2 1 346.475 1.275 20 0 EDADMP COc1cc2[nH+]c(NC3CCC([NH+](C)C)CC3)nc(N)c2cc1OC ZINC000420626984 446709034 /nfs/dbraw/zinc/70/90/34/446709034.db2.gz MZOUJROIRJVNNC-UHFFFAOYSA-N 2 1 345.447 1.936 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)CC1 ZINC000376790148 446720250 /nfs/dbraw/zinc/72/02/50/446720250.db2.gz VRKLTTHTWSSRCF-IFXJQAMLSA-N 2 1 331.460 1.812 20 0 EDADMP [NH3+][C@H](CC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000371279825 446740048 /nfs/dbraw/zinc/74/00/48/446740048.db2.gz LJADFCHJAGQSFH-FGTMMUONSA-N 2 1 331.460 1.836 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000368235308 446727370 /nfs/dbraw/zinc/72/73/70/446727370.db2.gz HQWCTDZRIKEMQJ-RHSMWYFYSA-N 2 1 329.460 1.114 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000368235308 446727374 /nfs/dbraw/zinc/72/73/74/446727374.db2.gz HQWCTDZRIKEMQJ-RHSMWYFYSA-N 2 1 329.460 1.114 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000420662898 446731146 /nfs/dbraw/zinc/73/11/46/446731146.db2.gz BXPXFGNLGZDOIE-INIZCTEOSA-N 2 1 340.512 1.070 20 0 EDADMP CCCCCC[C@H](O)C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375338437 446734147 /nfs/dbraw/zinc/73/41/47/446734147.db2.gz YEEFQUVLABWLIE-IBGZPJMESA-N 2 1 341.540 1.658 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000423888847 446744446 /nfs/dbraw/zinc/74/44/46/446744446.db2.gz HMJKBBRVLZGKFC-RKVPGOIHSA-N 2 1 347.459 1.418 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000423888847 446744453 /nfs/dbraw/zinc/74/44/53/446744453.db2.gz HMJKBBRVLZGKFC-RKVPGOIHSA-N 2 1 347.459 1.418 20 0 EDADMP C[NH+]1CCC([C@H]2CCN(c3cc[nH+]c(N4CCOCC4)n3)C2)CC1 ZINC000368302302 446769283 /nfs/dbraw/zinc/76/92/83/446769283.db2.gz TWWGSPQZDBECMN-INIZCTEOSA-N 2 1 331.464 1.481 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000423934080 446786139 /nfs/dbraw/zinc/78/61/39/446786139.db2.gz USZTUMVGQMQYBK-KPFFTGBYSA-N 2 1 345.487 1.954 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000423934080 446786144 /nfs/dbraw/zinc/78/61/44/446786144.db2.gz USZTUMVGQMQYBK-KPFFTGBYSA-N 2 1 345.487 1.954 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000418935156 446809681 /nfs/dbraw/zinc/80/96/81/446809681.db2.gz GMHYYHLPNULZDX-DOTOQJQBSA-N 2 1 346.475 1.011 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000454225705 446814524 /nfs/dbraw/zinc/81/45/24/446814524.db2.gz LXMABISAWPQWMP-AYOQOUSVSA-N 2 1 342.487 1.779 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424016143 446823825 /nfs/dbraw/zinc/82/38/25/446823825.db2.gz BRWKIGFXRYVHNS-INIZCTEOSA-N 2 1 332.492 1.484 20 0 EDADMP C[N@H+]1CCCC12CCN(C(=O)[C@H]1COCCN1CC1CCC1)CC2 ZINC000376987243 446842050 /nfs/dbraw/zinc/84/20/50/446842050.db2.gz HHDMSECEDNJDOH-QGZVFWFLSA-N 2 1 335.492 1.574 20 0 EDADMP C[N@@H+]1CCN(CCNc2cc[nH+]c(N3CCCCC3)n2)CC1(C)C ZINC000440684179 446851634 /nfs/dbraw/zinc/85/16/34/446851634.db2.gz ZXIXTSKMUNWKRZ-UHFFFAOYSA-N 2 1 332.496 1.905 20 0 EDADMP C[N@H+]1CCN(CCNc2cc[nH+]c(N3CCCCC3)n2)CC1(C)C ZINC000440684179 446851639 /nfs/dbraw/zinc/85/16/39/446851639.db2.gz ZXIXTSKMUNWKRZ-UHFFFAOYSA-N 2 1 332.496 1.905 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424147280 446859697 /nfs/dbraw/zinc/85/96/97/446859697.db2.gz RFXYFIGWSJTIAE-CABCVRRESA-N 2 1 334.468 1.149 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412109901 446864815 /nfs/dbraw/zinc/86/48/15/446864815.db2.gz QJNJBVZVEFLSLO-LJQANCHMSA-N 2 1 344.503 1.648 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CCN(S(C)(=O)=O)C3)C2)CC1 ZINC000368482298 446889948 /nfs/dbraw/zinc/88/99/48/446889948.db2.gz JJPXEYXXLRXLDK-OAHLLOKOSA-N 2 1 329.510 1.076 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccc(F)cc1)C2 ZINC000371491198 446890348 /nfs/dbraw/zinc/89/03/48/446890348.db2.gz MKFBVTQSCAIIRJ-CJNGLKHVSA-N 2 1 330.407 1.940 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454533546 446903513 /nfs/dbraw/zinc/90/35/13/446903513.db2.gz WMZKECUFUDYIQU-KRWDZBQOSA-N 2 1 338.496 1.413 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)C2=O)c1 ZINC000442756885 446954382 /nfs/dbraw/zinc/95/43/82/446954382.db2.gz AXABMDLEFFMNJX-XNJGSVPQSA-N 2 1 333.432 1.478 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([N@H+]3C[C@@H](C[NH3+])C[C@H]3C)C2=O)c1 ZINC000442756885 446954385 /nfs/dbraw/zinc/95/43/85/446954385.db2.gz AXABMDLEFFMNJX-XNJGSVPQSA-N 2 1 333.432 1.478 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)CC2)c1 ZINC000442766983 446958719 /nfs/dbraw/zinc/95/87/19/446958719.db2.gz LUAAVSCMALYGBK-IEBWSBKVSA-N 2 1 344.503 1.308 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)CC2)c1 ZINC000442766983 446958724 /nfs/dbraw/zinc/95/87/24/446958724.db2.gz LUAAVSCMALYGBK-IEBWSBKVSA-N 2 1 344.503 1.308 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000442776937 446962702 /nfs/dbraw/zinc/96/27/02/446962702.db2.gz HXZWYOIGLDNUAB-AJNGGQMLSA-N 2 1 349.475 1.939 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000442776937 446962706 /nfs/dbraw/zinc/96/27/06/446962706.db2.gz HXZWYOIGLDNUAB-AJNGGQMLSA-N 2 1 349.475 1.939 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000371833152 446969055 /nfs/dbraw/zinc/96/90/55/446969055.db2.gz VVXYGUKFEYJUDM-QGZVFWFLSA-N 2 1 336.524 1.489 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000371833152 446969060 /nfs/dbraw/zinc/96/90/60/446969060.db2.gz VVXYGUKFEYJUDM-QGZVFWFLSA-N 2 1 336.524 1.489 20 0 EDADMP CCN1CCO[C@H](C(=O)NC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000372154632 447020399 /nfs/dbraw/zinc/02/03/99/447020399.db2.gz BBICLRJVUUYEOC-QRQLOZEOSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000372154632 447020402 /nfs/dbraw/zinc/02/04/02/447020402.db2.gz BBICLRJVUUYEOC-QRQLOZEOSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000372154632 447020407 /nfs/dbraw/zinc/02/04/07/447020407.db2.gz BBICLRJVUUYEOC-QRQLOZEOSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000372154632 447020411 /nfs/dbraw/zinc/02/04/11/447020411.db2.gz BBICLRJVUUYEOC-QRQLOZEOSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000372154632 447020417 /nfs/dbraw/zinc/02/04/17/447020417.db2.gz BBICLRJVUUYEOC-QRQLOZEOSA-N 2 1 345.487 1.734 20 0 EDADMP O=C(NCC[N@H+]1CC=CCC1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000375693458 446982214 /nfs/dbraw/zinc/98/22/14/446982214.db2.gz SCTAMBBNDKMDOH-IRXDYDNUSA-N 2 1 336.480 1.191 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000375693458 446982218 /nfs/dbraw/zinc/98/22/18/446982218.db2.gz SCTAMBBNDKMDOH-IRXDYDNUSA-N 2 1 336.480 1.191 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000377200536 446988813 /nfs/dbraw/zinc/98/88/13/446988813.db2.gz YSWBTXHEQVFQBM-NPYXIHBLSA-N 3 1 334.508 1.192 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000377200536 446988816 /nfs/dbraw/zinc/98/88/16/446988816.db2.gz YSWBTXHEQVFQBM-NPYXIHBLSA-N 3 1 334.508 1.192 20 0 EDADMP COC(=O)CN1CCC(N[C@@H]2c3ccccc3CC[C@@H]2[NH+](C)C)CC1 ZINC000368629799 446991417 /nfs/dbraw/zinc/99/14/17/446991417.db2.gz BANLBPRQNFGQGO-AZUAARDMSA-N 2 1 345.487 1.831 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000425055327 447004273 /nfs/dbraw/zinc/00/42/73/447004273.db2.gz HOJPVUSRSWJMOA-SFFUCWETSA-N 2 1 337.508 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000425055327 447004279 /nfs/dbraw/zinc/00/42/79/447004279.db2.gz HOJPVUSRSWJMOA-SFFUCWETSA-N 2 1 337.508 1.673 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)C(=O)NCC(C)C)C2)nc(C)[nH+]1 ZINC000375787655 447048340 /nfs/dbraw/zinc/04/83/40/447048340.db2.gz HEOQOAIMAXNMCK-ZBFHGGJFSA-N 2 1 333.480 1.813 20 0 EDADMP CC1CC[NH+](CCNC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)CC1 ZINC000368702147 447051819 /nfs/dbraw/zinc/05/18/19/447051819.db2.gz RIHGAWGPVCLMMQ-UHFFFAOYSA-N 2 1 340.512 1.207 20 0 EDADMP C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000443792131 447063389 /nfs/dbraw/zinc/06/33/89/447063389.db2.gz SORVNOSCDRNHPP-HLLBOEOZSA-N 2 1 333.480 1.210 20 0 EDADMP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000443792131 447063394 /nfs/dbraw/zinc/06/33/94/447063394.db2.gz SORVNOSCDRNHPP-HLLBOEOZSA-N 2 1 333.480 1.210 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000368795430 447113074 /nfs/dbraw/zinc/11/30/74/447113074.db2.gz GBLUTKJQLDEHNP-RYQLBKOJSA-N 2 1 331.460 1.344 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1(C)C ZINC000444185043 447091413 /nfs/dbraw/zinc/09/14/13/447091413.db2.gz PWSQBAWJNZHDCE-FSZRXZPDSA-N 2 1 325.497 1.898 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[N@@H+](CCCOC)CC2)C1(C)C ZINC000372509864 447097915 /nfs/dbraw/zinc/09/79/15/447097915.db2.gz YSPSQMMOOVJXKG-QAPCUYQASA-N 2 1 341.496 1.090 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)c3ccccc3F)C2)CC1 ZINC000375908118 447138618 /nfs/dbraw/zinc/13/86/18/447138618.db2.gz VEIIXNADZNXVBE-LPHOPBHVSA-N 2 1 335.467 1.959 20 0 EDADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000372577587 447157811 /nfs/dbraw/zinc/15/78/11/447157811.db2.gz OBLZAFGMCRPZHE-CYBMUJFWSA-N 2 1 342.447 1.853 20 0 EDADMP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375904017 447134533 /nfs/dbraw/zinc/13/45/33/447134533.db2.gz JBGOXXOMBGJUQJ-MRXNPFEDSA-N 2 1 338.521 1.319 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000419432823 447172989 /nfs/dbraw/zinc/17/29/89/447172989.db2.gz YMWJEEHESVCQDY-HUUCEWRRSA-N 2 1 340.512 1.346 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000455656674 447199163 /nfs/dbraw/zinc/19/91/63/447199163.db2.gz KTZOHPXEXILKLP-AWEZNQCLSA-N 2 1 336.484 1.687 20 0 EDADMP C[N@@H+](CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000446258627 447247527 /nfs/dbraw/zinc/24/75/27/447247527.db2.gz NVNFQQBUEQFDMA-FRQCXROJSA-N 2 1 337.508 1.900 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1)c1ccccc1 ZINC000425541775 447220035 /nfs/dbraw/zinc/22/00/35/447220035.db2.gz GRFPFXTZKBUFDR-CVEARBPZSA-N 2 1 342.447 1.013 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1)c1ccccc1 ZINC000425541775 447220036 /nfs/dbraw/zinc/22/00/36/447220036.db2.gz GRFPFXTZKBUFDR-CVEARBPZSA-N 2 1 342.447 1.013 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000419513960 447236547 /nfs/dbraw/zinc/23/65/47/447236547.db2.gz NGOBVKVFRCAIGD-ARFHVFGLSA-N 2 1 328.501 1.203 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cc(C(N)=O)cs3)C2)CC1 ZINC000377630049 447256277 /nfs/dbraw/zinc/25/62/77/447256277.db2.gz RZGRJKAOQCPDSQ-CQSZACIVSA-N 2 1 336.505 1.306 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@@H]3CC[NH+](CC4CCCC4)C3)[C@@H]2C1 ZINC000425676924 447265082 /nfs/dbraw/zinc/26/50/82/447265082.db2.gz IABTVVBKJRHCHF-RCCFBDPRSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000425676924 447265085 /nfs/dbraw/zinc/26/50/85/447265085.db2.gz IABTVVBKJRHCHF-RCCFBDPRSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000425676924 447265088 /nfs/dbraw/zinc/26/50/88/447265088.db2.gz IABTVVBKJRHCHF-RCCFBDPRSA-N 2 1 334.508 1.987 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)NCC1CC[NH+](C2CC2)CC1 ZINC000458707199 447458407 /nfs/dbraw/zinc/45/84/07/447458407.db2.gz NXHHNILPFMXBMY-QGZVFWFLSA-N 2 1 338.496 1.007 20 0 EDADMP [NH3+]CC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000390920086 447505904 /nfs/dbraw/zinc/50/59/04/447505904.db2.gz HIMYZGQGTZCFBP-GOSISDBHSA-N 2 1 345.487 1.913 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCCC[NH2+]1 ZINC000391033973 447510096 /nfs/dbraw/zinc/51/00/96/447510096.db2.gz XVSYBLXBBKIQLE-MOPGFXCFSA-N 2 1 345.487 1.926 20 0 EDADMP CCOC(=O)CC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000385617441 447468800 /nfs/dbraw/zinc/46/88/00/447468800.db2.gz DFXONHPEUNIHCT-SFHVURJKSA-N 2 1 334.460 1.945 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000416209810 447538720 /nfs/dbraw/zinc/53/87/20/447538720.db2.gz MSXFKWPHMLQLPR-SOLBZPMBSA-N 2 1 333.476 1.593 20 0 EDADMP C[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000396412477 447543356 /nfs/dbraw/zinc/54/33/56/447543356.db2.gz HJQIEHPMMPDTHD-MRXNPFEDSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000396412477 447543360 /nfs/dbraw/zinc/54/33/60/447543360.db2.gz HJQIEHPMMPDTHD-MRXNPFEDSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[NH+](C)C ZINC000459032924 447546670 /nfs/dbraw/zinc/54/66/70/447546670.db2.gz BQXYPBCYQZXGOS-RYQLBKOJSA-N 2 1 348.491 1.119 20 0 EDADMP CCC[C@H](O)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000450647577 447548534 /nfs/dbraw/zinc/54/85/34/447548534.db2.gz IWHUSQRMDJKBGL-ULQDDVLXSA-N 2 1 328.497 1.738 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000457820279 447640880 /nfs/dbraw/zinc/64/08/80/447640880.db2.gz VFXPUAAOWRYVMQ-JKSUJKDBSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000404519264 447600439 /nfs/dbraw/zinc/60/04/39/447600439.db2.gz UZBAWYQDFBKWRP-CUSZFKRNSA-N 2 1 331.460 1.485 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000457692415 447620259 /nfs/dbraw/zinc/62/02/59/447620259.db2.gz NPOBCOTVPOTENS-VQHPVUNQSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000457692415 447620266 /nfs/dbraw/zinc/62/02/66/447620266.db2.gz NPOBCOTVPOTENS-VQHPVUNQSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000457692415 447620272 /nfs/dbraw/zinc/62/02/72/447620272.db2.gz NPOBCOTVPOTENS-VQHPVUNQSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496074774 447704204 /nfs/dbraw/zinc/70/42/04/447704204.db2.gz ZQWLFBCJHFGFEZ-ILXRZTDVSA-N 2 1 329.485 1.629 20 0 EDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496074774 447704208 /nfs/dbraw/zinc/70/42/08/447704208.db2.gz ZQWLFBCJHFGFEZ-ILXRZTDVSA-N 2 1 329.485 1.629 20 0 EDADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC[NH+]1C ZINC000496074774 447704215 /nfs/dbraw/zinc/70/42/15/447704215.db2.gz ZQWLFBCJHFGFEZ-ILXRZTDVSA-N 2 1 329.485 1.629 20 0 EDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC[NH+]1C ZINC000496074774 447704220 /nfs/dbraw/zinc/70/42/20/447704220.db2.gz ZQWLFBCJHFGFEZ-ILXRZTDVSA-N 2 1 329.485 1.629 20 0 EDADMP O[C@]1(CNC2CC[NH+](C3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000459419416 447658677 /nfs/dbraw/zinc/65/86/77/447658677.db2.gz AMRBCDCTRDJZEN-FQEVSTJZSA-N 3 1 329.488 1.840 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000457932424 447676547 /nfs/dbraw/zinc/67/65/47/447676547.db2.gz MASHMLLAJAIRSU-ZACQAIPSSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000457932424 447676553 /nfs/dbraw/zinc/67/65/53/447676553.db2.gz MASHMLLAJAIRSU-ZACQAIPSSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457932424 447676559 /nfs/dbraw/zinc/67/65/59/447676559.db2.gz MASHMLLAJAIRSU-ZACQAIPSSA-N 2 1 340.512 1.253 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422638359 447683595 /nfs/dbraw/zinc/68/35/95/447683595.db2.gz QCZSMFQWLFXRAP-ZOBUZTSGSA-N 2 1 333.476 1.959 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422638359 447683599 /nfs/dbraw/zinc/68/35/99/447683599.db2.gz QCZSMFQWLFXRAP-ZOBUZTSGSA-N 2 1 333.476 1.959 20 0 EDADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422641361 447684826 /nfs/dbraw/zinc/68/48/26/447684826.db2.gz XVWZCRWTWCILOW-IBEHDNSVSA-N 2 1 338.496 1.696 20 0 EDADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422641361 447684831 /nfs/dbraw/zinc/68/48/31/447684831.db2.gz XVWZCRWTWCILOW-IBEHDNSVSA-N 2 1 338.496 1.696 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416934658 447715114 /nfs/dbraw/zinc/71/51/14/447715114.db2.gz DSULDRFEPWCHEK-YESZJQIVSA-N 2 1 340.512 1.502 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000416936567 447715491 /nfs/dbraw/zinc/71/54/91/447715491.db2.gz BYGHQQCQDXQKOM-SJJOOFSGSA-N 2 1 338.496 1.410 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000416939499 447717328 /nfs/dbraw/zinc/71/73/28/447717328.db2.gz NCYKBHDLFWLKQK-HRCADAONSA-N 2 1 326.485 1.125 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000416947789 447722626 /nfs/dbraw/zinc/72/26/26/447722626.db2.gz YGQVIXOQZRUACY-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP [NH3+]CC1CCC([NH2+]CCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000422713355 447724047 /nfs/dbraw/zinc/72/40/47/447724047.db2.gz JMFVDUYMRFXDKC-UHFFFAOYSA-N 2 1 346.523 1.486 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CN[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422719312 447727804 /nfs/dbraw/zinc/72/78/04/447727804.db2.gz YKJZZSCCNZPVBO-QFBILLFUSA-N 2 1 335.492 1.731 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000416958377 447727928 /nfs/dbraw/zinc/72/79/28/447727928.db2.gz OZHZCXHZCYNDFQ-CVEARBPZSA-N 2 1 327.517 1.075 20 0 EDADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000496147099 447728892 /nfs/dbraw/zinc/72/88/92/447728892.db2.gz NUMKYAMQHXYSNM-QLFBSQMISA-N 2 1 329.485 1.534 20 0 EDADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422745046 447735915 /nfs/dbraw/zinc/73/59/15/447735915.db2.gz XBRQIDZIHIPEAW-XYPWUTKMSA-N 2 1 337.489 1.746 20 0 EDADMP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000422761107 447742231 /nfs/dbraw/zinc/74/22/31/447742231.db2.gz MNLDRICNRADJDH-WBVHZDCISA-N 2 1 332.448 1.242 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000430553864 447777779 /nfs/dbraw/zinc/77/77/79/447777779.db2.gz PQWWPUKHCUAGPT-GOEBONIOSA-N 2 1 349.475 1.721 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000430553864 447777780 /nfs/dbraw/zinc/77/77/80/447777780.db2.gz PQWWPUKHCUAGPT-GOEBONIOSA-N 2 1 349.475 1.721 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)C1 ZINC000422974847 447785848 /nfs/dbraw/zinc/78/58/48/447785848.db2.gz RVIIXKFMYADZMQ-HZPDHXFCSA-N 3 1 325.497 1.629 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423110002 447806884 /nfs/dbraw/zinc/80/68/84/447806884.db2.gz OJGHJRDGUPGHHC-CVEARBPZSA-N 3 1 325.497 1.772 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423110002 447806886 /nfs/dbraw/zinc/80/68/86/447806886.db2.gz OJGHJRDGUPGHHC-CVEARBPZSA-N 3 1 325.497 1.772 20 0 EDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497134041 447880535 /nfs/dbraw/zinc/88/05/35/447880535.db2.gz RLDLEZVFKLOUIB-YOEHRIQHSA-N 2 1 329.485 1.584 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000549625827 447877016 /nfs/dbraw/zinc/87/70/16/447877016.db2.gz JOXHFHUMIZOMKP-WBVHZDCISA-N 2 1 326.481 1.255 20 0 EDADMP C[N@@H+](CC[C@@H]1CCNC1=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000570104531 447947556 /nfs/dbraw/zinc/94/75/56/447947556.db2.gz LBQGMLDESWNCOV-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000576000903 447949167 /nfs/dbraw/zinc/94/91/67/447949167.db2.gz OOBTXEAVPBNSGX-QRQLOZEOSA-N 2 1 345.487 1.327 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000576000903 447949174 /nfs/dbraw/zinc/94/91/74/447949174.db2.gz OOBTXEAVPBNSGX-QRQLOZEOSA-N 2 1 345.487 1.327 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000576000903 447949180 /nfs/dbraw/zinc/94/91/80/447949180.db2.gz OOBTXEAVPBNSGX-QRQLOZEOSA-N 2 1 345.487 1.327 20 0 EDADMP CC(C)[N@H+]1CCCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000497204629 447956694 /nfs/dbraw/zinc/95/66/94/447956694.db2.gz XQYBDRXIPGSLFW-GOSISDBHSA-N 2 1 336.480 1.277 20 0 EDADMP O=C1O[C@@]2(CN1C[NH+]1CCC(n3ccnc3)CC1)C[NH+]1CCC2CC1 ZINC000496837953 447957125 /nfs/dbraw/zinc/95/71/25/447957125.db2.gz TWSBSIZSYFVMJJ-GOSISDBHSA-N 2 1 345.447 1.394 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000530814800 447963731 /nfs/dbraw/zinc/96/37/31/447963731.db2.gz IDQJWKOOLGJFPP-IBGZPJMESA-N 2 1 333.476 1.470 20 0 EDADMP CC[NH+](CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000530814800 447963737 /nfs/dbraw/zinc/96/37/37/447963737.db2.gz IDQJWKOOLGJFPP-IBGZPJMESA-N 2 1 333.476 1.470 20 0 EDADMP CC[NH+](CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000530814800 447963740 /nfs/dbraw/zinc/96/37/40/447963740.db2.gz IDQJWKOOLGJFPP-IBGZPJMESA-N 2 1 333.476 1.470 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000530884686 447977703 /nfs/dbraw/zinc/97/77/03/447977703.db2.gz LALFQJAFHVZKQT-OAHLLOKOSA-N 2 1 333.480 1.090 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000530884686 447977710 /nfs/dbraw/zinc/97/77/10/447977710.db2.gz LALFQJAFHVZKQT-OAHLLOKOSA-N 2 1 333.480 1.090 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](COC)C(C)C ZINC000525304129 447992752 /nfs/dbraw/zinc/99/27/52/447992752.db2.gz ZKYQZWLDIHFOAS-DLBZAZTESA-N 2 1 342.528 1.715 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000576463022 448061435 /nfs/dbraw/zinc/06/14/35/448061435.db2.gz FBCUKMXCAABJTN-UOVPBQLFSA-N 2 1 348.491 1.294 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@]3(C)CCC[NH2+]3)CC2)oc1C ZINC000576402951 448046723 /nfs/dbraw/zinc/04/67/23/448046723.db2.gz NKBOTOOABLZRHO-SFHVURJKSA-N 2 1 334.464 1.762 20 0 EDADMP CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000576460414 448060378 /nfs/dbraw/zinc/06/03/78/448060378.db2.gz VWKCTBGEYVMRJP-RBUKOAKNSA-N 2 1 336.476 1.376 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000570836388 448072982 /nfs/dbraw/zinc/07/29/82/448072982.db2.gz GUOXWIYQLIUBAI-QAPCUYQASA-N 2 1 347.459 1.459 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000571043944 448098081 /nfs/dbraw/zinc/09/80/81/448098081.db2.gz GNLRXUKVBBHEPX-GOSISDBHSA-N 2 1 328.460 1.906 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000502391923 448101396 /nfs/dbraw/zinc/10/13/96/448101396.db2.gz LCGYYEPERDWXIP-RYQLBKOJSA-N 2 1 349.523 1.848 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@H](C)Cn1ccnc1)CCC(F)(F)F ZINC000492026512 448160439 /nfs/dbraw/zinc/16/04/39/448160439.db2.gz ZFFBPTPOFGQYIR-LBPRGKRZSA-N 2 1 335.374 1.845 20 0 EDADMP CCN(CCNC(=O)N[C@@H](C)Cn1ccnc1)CCC(F)(F)F ZINC000492026512 448160446 /nfs/dbraw/zinc/16/04/46/448160446.db2.gz ZFFBPTPOFGQYIR-LBPRGKRZSA-N 2 1 335.374 1.845 20 0 EDADMP C[NH+]1CCC(CCO)([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000497039633 448148061 /nfs/dbraw/zinc/14/80/61/448148061.db2.gz OYCPUNQBHVZBJH-UHFFFAOYSA-N 2 1 329.485 1.726 20 0 EDADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@H]1CCOC1 ZINC000577075180 448206272 /nfs/dbraw/zinc/20/62/72/448206272.db2.gz AUXBIVUYTGFOTB-SFHVURJKSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000582415429 448230265 /nfs/dbraw/zinc/23/02/65/448230265.db2.gz UOGQPMMGDIPZFW-QGZVFWFLSA-N 2 1 335.448 1.459 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577164693 448222456 /nfs/dbraw/zinc/22/24/56/448222456.db2.gz WNFVYEBCLOQGIW-JQHSSLGASA-N 2 1 330.476 1.948 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)[C@H](C)C1 ZINC000532491354 448265207 /nfs/dbraw/zinc/26/52/07/448265207.db2.gz JKCBHIPTDOMYLN-AZOIQLNYSA-N 2 1 344.459 1.561 20 0 EDADMP C[NH2+]C[C@](C)(O)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000572167394 448306356 /nfs/dbraw/zinc/30/63/56/448306356.db2.gz DOROHPMLMGAZEM-PMACEKPBSA-N 3 1 331.504 1.945 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[N@H+]1C1CC1 ZINC000515504729 448324394 /nfs/dbraw/zinc/32/43/94/448324394.db2.gz DELDBAUTSSNORH-UKPHBRMFSA-N 2 1 337.533 1.945 20 0 EDADMP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000577372912 448279845 /nfs/dbraw/zinc/27/98/45/448279845.db2.gz YYYBSHPTNCAFDT-WMZOPIPTSA-N 2 1 348.466 1.058 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000572241120 448324774 /nfs/dbraw/zinc/32/47/74/448324774.db2.gz MXRGXAAQCALMPH-UHFFFAOYSA-N 2 1 332.492 1.309 20 0 EDADMP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H](O)CN2CCN(C)CC2)c1 ZINC000515347149 448294152 /nfs/dbraw/zinc/29/41/52/448294152.db2.gz SUMXOBPWZDIUIP-FQEVSTJZSA-N 2 1 348.535 1.226 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000515350076 448294519 /nfs/dbraw/zinc/29/45/19/448294519.db2.gz ZETWCAAKYFFYKK-HXUWFJFHSA-N 2 1 344.503 1.062 20 0 EDADMP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000572138907 448301426 /nfs/dbraw/zinc/30/14/26/448301426.db2.gz ZFMBJCKQCDZNGK-YOEHRIQHSA-N 2 1 342.447 1.251 20 0 EDADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000572138907 448301430 /nfs/dbraw/zinc/30/14/30/448301430.db2.gz ZFMBJCKQCDZNGK-YOEHRIQHSA-N 2 1 342.447 1.251 20 0 EDADMP C[C@@H](NC(=O)NCCN1CCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000533111961 448360430 /nfs/dbraw/zinc/36/04/30/448360430.db2.gz OJXIBSHFKCCLGZ-AEFFLSMTSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000572502581 448397157 /nfs/dbraw/zinc/39/71/57/448397157.db2.gz XJNISNJZBLDHND-CZUORRHYSA-N 2 1 334.468 1.211 20 0 EDADMP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000572502581 448397162 /nfs/dbraw/zinc/39/71/62/448397162.db2.gz XJNISNJZBLDHND-CZUORRHYSA-N 2 1 334.468 1.211 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NC1CC[NH2+]CC1 ZINC000577841856 448399773 /nfs/dbraw/zinc/39/97/73/448399773.db2.gz WZQWIZXWRIMGPN-UHFFFAOYSA-N 2 1 332.448 1.070 20 0 EDADMP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000583018947 448404261 /nfs/dbraw/zinc/40/42/61/448404261.db2.gz NOXCJDIQIBPVNH-IAGOWNOFSA-N 2 1 337.489 1.351 20 0 EDADMP C[C@H]1CC2(C[N@H+]1CC(=O)NC[C@H]1Cc3ccccc3O1)CC[NH2+]CC2 ZINC000577857456 448404797 /nfs/dbraw/zinc/40/47/97/448404797.db2.gz IUHROKHDYIZQKG-DOTOQJQBSA-N 2 1 343.471 1.570 20 0 EDADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000583023580 448406651 /nfs/dbraw/zinc/40/66/51/448406651.db2.gz YLTJLWWQAWJUBA-DNLWUEFJSA-N 2 1 337.512 1.065 20 0 EDADMP C[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000516098036 448380542 /nfs/dbraw/zinc/38/05/42/448380542.db2.gz GOAZLZYOKQKJPG-MXEMCNAFSA-N 3 1 343.515 1.868 20 0 EDADMP C[NH+]1CC[C@H](NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000516098036 448380550 /nfs/dbraw/zinc/38/05/50/448380550.db2.gz GOAZLZYOKQKJPG-MXEMCNAFSA-N 3 1 343.515 1.868 20 0 EDADMP C[NH+]1CC[C@H](NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000516098036 448380555 /nfs/dbraw/zinc/38/05/55/448380555.db2.gz GOAZLZYOKQKJPG-MXEMCNAFSA-N 3 1 343.515 1.868 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000516098036 448380559 /nfs/dbraw/zinc/38/05/59/448380559.db2.gz GOAZLZYOKQKJPG-MXEMCNAFSA-N 3 1 343.515 1.868 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000516098036 448380565 /nfs/dbraw/zinc/38/05/65/448380565.db2.gz GOAZLZYOKQKJPG-MXEMCNAFSA-N 2 1 343.515 1.868 20 0 EDADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000578122740 448465969 /nfs/dbraw/zinc/46/59/69/448465969.db2.gz JSZGETMOILDYBJ-IEBWSBKVSA-N 2 1 348.491 1.113 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000566444448 448473240 /nfs/dbraw/zinc/47/32/40/448473240.db2.gz NLQINTOZZPARFX-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000584459604 448533700 /nfs/dbraw/zinc/53/37/00/448533700.db2.gz ZWTIDZKXFZSTKD-OIISXLGYSA-N 2 1 336.480 1.151 20 0 EDADMP Cc1cc(=O)n2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)sc2n1 ZINC000517146967 448543833 /nfs/dbraw/zinc/54/38/33/448543833.db2.gz RDJSNRGXZWQUHY-STQMWFEESA-N 2 1 333.461 1.281 20 0 EDADMP CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000584681681 448594762 /nfs/dbraw/zinc/59/47/62/448594762.db2.gz NZBDUFSEKFDWFO-UHFFFAOYSA-N 2 1 344.459 1.419 20 0 EDADMP CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000584681681 448594763 /nfs/dbraw/zinc/59/47/63/448594763.db2.gz NZBDUFSEKFDWFO-UHFFFAOYSA-N 2 1 344.459 1.419 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000573316979 448595372 /nfs/dbraw/zinc/59/53/72/448595372.db2.gz SJPNCRNJBYRPSA-YRXWBPOGSA-N 3 1 341.540 1.558 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)[C@H](C)C1 ZINC000528706841 448638817 /nfs/dbraw/zinc/63/88/17/448638817.db2.gz DYLLXTHALOXLLK-ZIAGYGMSSA-N 2 1 348.447 1.087 20 0 EDADMP C[N@@H+](C[C@H](O)CNc1cccc(C[NH+]2CCC(O)CC2)c1)C1CC1 ZINC000567262938 448652328 /nfs/dbraw/zinc/65/23/28/448652328.db2.gz HYOAXBPSYRSHHZ-LJQANCHMSA-N 2 1 333.476 1.510 20 0 EDADMP Cc1cccc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000584782888 448631224 /nfs/dbraw/zinc/63/12/24/448631224.db2.gz VDHQSGCGUFZQLM-ZWKOTPCHSA-N 2 1 336.476 1.417 20 0 EDADMP O=C(NCC[NH+]1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579002871 448693048 /nfs/dbraw/zinc/69/30/48/448693048.db2.gz USXQDBSTFGHTJU-KRWDZBQOSA-N 2 1 331.460 1.081 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[N@H+]2CCN(C)C3(CCCCC3)C2)C[C@@H](C)O1 ZINC000573979182 448761413 /nfs/dbraw/zinc/76/14/13/448761413.db2.gz LSGUQJURJHBORZ-KZNAEPCWSA-N 2 1 339.524 1.407 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000528996579 448731491 /nfs/dbraw/zinc/73/14/91/448731491.db2.gz YUFXLGGPFHXLLA-INIZCTEOSA-N 2 1 348.495 1.973 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000567678037 448733583 /nfs/dbraw/zinc/73/35/83/448733583.db2.gz IHTZYYHFCQMZNS-HNNXBMFYSA-N 2 1 332.510 1.170 20 0 EDADMP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC(=O)N1Cc1ccccc1 ZINC000567700414 448739544 /nfs/dbraw/zinc/73/95/44/448739544.db2.gz LKNAGCUWDKBLHK-OLMNPRSZSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC(=O)N1Cc1ccccc1 ZINC000567700414 448739551 /nfs/dbraw/zinc/73/95/51/448739551.db2.gz LKNAGCUWDKBLHK-OLMNPRSZSA-N 2 1 331.460 1.221 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000568051622 448807484 /nfs/dbraw/zinc/80/74/84/448807484.db2.gz UJDLZRKTVHZFQE-QAPCUYQASA-N 2 1 329.448 1.622 20 0 EDADMP C[C@]1(CO)CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000545400836 448794015 /nfs/dbraw/zinc/79/40/15/448794015.db2.gz AUTOHHJUBYNGFB-HXUWFJFHSA-N 2 1 345.487 1.745 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(C)[C@H]2CC[NH2+]C2)CC1 ZINC000567990651 448794641 /nfs/dbraw/zinc/79/46/41/448794641.db2.gz RUWXYJCPYKEBIR-IBGZPJMESA-N 2 1 344.503 1.323 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000519705856 448823930 /nfs/dbraw/zinc/82/39/30/448823930.db2.gz MMWLRBGDIMXEMH-OWCLPIDISA-N 2 1 339.480 1.251 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000529373708 448846013 /nfs/dbraw/zinc/84/60/13/448846013.db2.gz CEJZJDHDGBWGGR-QZTJIDSGSA-N 2 1 346.475 1.281 20 0 EDADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000574528822 448896637 /nfs/dbraw/zinc/89/66/37/448896637.db2.gz OJWDQKTYVBLFET-JYJNAYRXSA-N 2 1 344.496 1.225 20 0 EDADMP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000574528822 448896641 /nfs/dbraw/zinc/89/66/41/448896641.db2.gz OJWDQKTYVBLFET-JYJNAYRXSA-N 2 1 344.496 1.225 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000574528822 448896645 /nfs/dbraw/zinc/89/66/45/448896645.db2.gz OJWDQKTYVBLFET-JYJNAYRXSA-N 2 1 344.496 1.225 20 0 EDADMP C[C@H]1CN(C(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000547736309 448921892 /nfs/dbraw/zinc/92/18/92/448921892.db2.gz RCRCPAPVJBIFKB-INIZCTEOSA-N 2 1 339.524 1.945 20 0 EDADMP C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1CC(C)(C)O ZINC000547736309 448921899 /nfs/dbraw/zinc/92/18/99/448921899.db2.gz RCRCPAPVJBIFKB-INIZCTEOSA-N 2 1 339.524 1.945 20 0 EDADMP C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1CC(C)(C)O ZINC000547736309 448921905 /nfs/dbraw/zinc/92/19/05/448921905.db2.gz RCRCPAPVJBIFKB-INIZCTEOSA-N 2 1 339.524 1.945 20 0 EDADMP CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000579967440 448924152 /nfs/dbraw/zinc/92/41/52/448924152.db2.gz JTXYFXLIDJMPDI-LJQANCHMSA-N 2 1 336.476 1.567 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[N@H+]1C1CC1 ZINC000568856248 448927049 /nfs/dbraw/zinc/92/70/49/448927049.db2.gz PDVAOSMKFUVGEE-KFWWJZLASA-N 2 1 336.480 1.009 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CCO)C(C)C)CC2)CC1 ZINC000520836338 448936526 /nfs/dbraw/zinc/93/65/26/448936526.db2.gz LTRFXGFNVVFRDP-GOSISDBHSA-N 2 1 339.524 1.706 20 0 EDADMP C[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579838486 448892405 /nfs/dbraw/zinc/89/24/05/448892405.db2.gz YWIOHUGWKFGLRT-MYZZLAAOSA-N 2 1 329.444 1.144 20 0 EDADMP C[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579838486 448892409 /nfs/dbraw/zinc/89/24/09/448892409.db2.gz YWIOHUGWKFGLRT-MYZZLAAOSA-N 2 1 329.444 1.144 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C[N@H+](C)CC(C)(C)C)C[C@@H](C)O1 ZINC000588901433 448947167 /nfs/dbraw/zinc/94/71/67/448947167.db2.gz BDMSNGHGIANNPP-HUUCEWRRSA-N 2 1 327.513 1.968 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H](C)O1 ZINC000588901433 448947174 /nfs/dbraw/zinc/94/71/74/448947174.db2.gz BDMSNGHGIANNPP-HUUCEWRRSA-N 2 1 327.513 1.968 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000575000763 449010496 /nfs/dbraw/zinc/01/04/96/449010496.db2.gz MYBFGHNDMFFVDB-SJORKVTESA-N 2 1 339.524 1.972 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000575000763 449010500 /nfs/dbraw/zinc/01/05/00/449010500.db2.gz MYBFGHNDMFFVDB-SJORKVTESA-N 2 1 339.524 1.972 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000569468499 449031207 /nfs/dbraw/zinc/03/12/07/449031207.db2.gz DLCGMOVYVCOWFY-YJBOKZPZSA-N 2 1 348.470 1.631 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000569468499 449031211 /nfs/dbraw/zinc/03/12/11/449031211.db2.gz DLCGMOVYVCOWFY-YJBOKZPZSA-N 2 1 348.470 1.631 20 0 EDADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000530220007 449084132 /nfs/dbraw/zinc/08/41/32/449084132.db2.gz AXAOJYLSXPCOOA-ROUUACIJSA-N 2 1 347.438 1.771 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000522060287 449048212 /nfs/dbraw/zinc/04/82/12/449048212.db2.gz JZKFJDIOGQIZPD-CRAIPNDOSA-N 2 1 349.479 1.194 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592960214 449085366 /nfs/dbraw/zinc/08/53/66/449085366.db2.gz UMMAZSBGMKKXSA-HUUCEWRRSA-N 2 1 333.480 1.427 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000575399057 449088158 /nfs/dbraw/zinc/08/81/58/449088158.db2.gz LSLGDMRPUFXUEN-UOVPBQLFSA-N 2 1 330.476 1.886 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](n3ccnc3)C2)CC1 ZINC000603933883 449161001 /nfs/dbraw/zinc/16/10/01/449161001.db2.gz XXWPJZCJDUDKMG-QGZVFWFLSA-N 2 1 333.480 1.509 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](n3ccnc3)C2)CC1 ZINC000603933883 449161007 /nfs/dbraw/zinc/16/10/07/449161007.db2.gz XXWPJZCJDUDKMG-QGZVFWFLSA-N 2 1 333.480 1.509 20 0 EDADMP COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595893083 449237099 /nfs/dbraw/zinc/23/70/99/449237099.db2.gz OVUMDEMKDUVJRY-NVXWUHKLSA-N 2 1 332.444 1.819 20 0 EDADMP CC(C)(C)OC(=O)CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601963789 449248976 /nfs/dbraw/zinc/24/89/76/449248976.db2.gz GPQFGOAWLIVBLG-IBGZPJMESA-N 2 1 334.460 1.945 20 0 EDADMP CC(C)(C)OC(=O)CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601963789 449248978 /nfs/dbraw/zinc/24/89/78/449248978.db2.gz GPQFGOAWLIVBLG-IBGZPJMESA-N 2 1 334.460 1.945 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000605425576 449381102 /nfs/dbraw/zinc/38/11/02/449381102.db2.gz CWJUONYRLXETEL-FXAWDEMLSA-N 2 1 343.471 1.224 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000605425576 449381105 /nfs/dbraw/zinc/38/11/05/449381105.db2.gz CWJUONYRLXETEL-FXAWDEMLSA-N 2 1 343.471 1.224 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000605425576 449381112 /nfs/dbraw/zinc/38/11/12/449381112.db2.gz CWJUONYRLXETEL-FXAWDEMLSA-N 2 1 343.471 1.224 20 0 EDADMP O=C(NCC12CCC[NH+]1CCC2)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000614226945 449515657 /nfs/dbraw/zinc/51/56/57/449515657.db2.gz MNONGJKFSWVQCD-HXUWFJFHSA-N 2 1 343.471 1.368 20 0 EDADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCC2 ZINC000594502068 449558275 /nfs/dbraw/zinc/55/82/75/449558275.db2.gz CKVCUCBAYDWBSV-WMZOPIPTSA-N 2 1 332.444 1.897 20 0 EDADMP COc1cc(CNC(=O)[C@H]2CCCC[N@H+]2C)ccc1OCC[NH+](C)C ZINC000600974408 449626839 /nfs/dbraw/zinc/62/68/39/449626839.db2.gz IIEUUBIJYNXKSV-MRXNPFEDSA-N 2 1 349.475 1.736 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1cnccc1Cl ZINC000617507588 449657974 /nfs/dbraw/zinc/65/79/74/449657974.db2.gz BHMSOTWAWZMKAF-ZDUSSCGKSA-N 2 1 326.872 1.666 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1cnccc1Cl ZINC000617507588 449657982 /nfs/dbraw/zinc/65/79/82/449657982.db2.gz BHMSOTWAWZMKAF-ZDUSSCGKSA-N 2 1 326.872 1.666 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000607928056 449670684 /nfs/dbraw/zinc/67/06/84/449670684.db2.gz ALKXUHDHFRQNGK-MRXNPFEDSA-N 2 1 349.475 1.916 20 0 EDADMP Cc1ccn2cnc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c2c1 ZINC000617502686 449647449 /nfs/dbraw/zinc/64/74/49/449647449.db2.gz YSCBBLAXNOMJJD-HNNXBMFYSA-N 2 1 331.464 1.645 20 0 EDADMP Cc1ccn2cnc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c2c1 ZINC000617502686 449647452 /nfs/dbraw/zinc/64/74/52/449647452.db2.gz YSCBBLAXNOMJJD-HNNXBMFYSA-N 2 1 331.464 1.645 20 0 EDADMP C[N@@H+](CCCNC(=O)NC1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000601243096 449769427 /nfs/dbraw/zinc/76/94/27/449769427.db2.gz JUPJTACQXGMYMG-UHFFFAOYSA-N 2 1 340.512 1.397 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000608654811 449898772 /nfs/dbraw/zinc/89/87/72/449898772.db2.gz VZJSMDPTQUIKBV-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000608654811 449898777 /nfs/dbraw/zinc/89/87/77/449898777.db2.gz VZJSMDPTQUIKBV-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000608654811 449898782 /nfs/dbraw/zinc/89/87/82/449898782.db2.gz VZJSMDPTQUIKBV-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP CCOC(=O)CCCNC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845895 449853322 /nfs/dbraw/zinc/85/33/22/449853322.db2.gz MXUFOYGSKZUOON-UHFFFAOYSA-N 2 1 348.447 1.053 20 0 EDADMP CCOC(=O)[C@@]1(C)C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CCO1 ZINC000603005992 450001490 /nfs/dbraw/zinc/00/14/90/450001490.db2.gz UQCRGCXSIJXYQI-GOSISDBHSA-N 2 1 341.496 1.057 20 0 EDADMP CCOC(=O)[C@@]1(C)C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CCO1 ZINC000603005992 450001492 /nfs/dbraw/zinc/00/14/92/450001492.db2.gz UQCRGCXSIJXYQI-GOSISDBHSA-N 2 1 341.496 1.057 20 0 EDADMP O=C(C[N@@H+]1CCC[C@H](c2ccncn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000613208966 450081407 /nfs/dbraw/zinc/08/14/07/450081407.db2.gz FMELHKMHZUGAEP-HNNXBMFYSA-N 2 1 343.475 1.399 20 0 EDADMP O=C(C[N@H+]1CCC[C@H](c2ccncn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000613208966 450081412 /nfs/dbraw/zinc/08/14/12/450081412.db2.gz FMELHKMHZUGAEP-HNNXBMFYSA-N 2 1 343.475 1.399 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000595404192 450118728 /nfs/dbraw/zinc/11/87/28/450118728.db2.gz MKVNKZGXQZRTBM-QZTJIDSGSA-N 2 1 342.487 1.894 20 0 EDADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000595404192 450118731 /nfs/dbraw/zinc/11/87/31/450118731.db2.gz MKVNKZGXQZRTBM-QZTJIDSGSA-N 2 1 342.487 1.894 20 0 EDADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000595404192 450118735 /nfs/dbraw/zinc/11/87/35/450118735.db2.gz MKVNKZGXQZRTBM-QZTJIDSGSA-N 2 1 342.487 1.894 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(C3)CCOCC4)CC2)CC1 ZINC000613342739 450142333 /nfs/dbraw/zinc/14/23/33/450142333.db2.gz NRBVPZGYFPVOMJ-UHFFFAOYSA-N 2 1 349.519 1.822 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3COc4ccccc4O3)C2)CC1 ZINC000610250275 450163417 /nfs/dbraw/zinc/16/34/17/450163417.db2.gz LZUCABGOKSLNSC-MSOLQXFVSA-N 2 1 345.487 1.927 20 0 EDADMP CC(C)[C@H](C(=O)NCCCN1CCC[N@@H+](C)CC1)[NH+]1CCCCC1 ZINC000603899759 450372905 /nfs/dbraw/zinc/37/29/05/450372905.db2.gz HTTASVTWSZITCG-GOSISDBHSA-N 2 1 338.540 1.641 20 0 EDADMP CC(C)[C@H](C(=O)NCCC[N@@H+]1CCCN(C)CC1)[NH+]1CCCCC1 ZINC000603899759 450372909 /nfs/dbraw/zinc/37/29/09/450372909.db2.gz HTTASVTWSZITCG-GOSISDBHSA-N 2 1 338.540 1.641 20 0 EDADMP CC(C)[C@H](C(=O)NCCC[N@H+]1CCCN(C)CC1)[NH+]1CCCCC1 ZINC000603899759 450372913 /nfs/dbraw/zinc/37/29/13/450372913.db2.gz HTTASVTWSZITCG-GOSISDBHSA-N 2 1 338.540 1.641 20 0 EDADMP O=C([C@H](C[NH+]1CCCC1)c1ccccc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000616549522 450446156 /nfs/dbraw/zinc/44/61/56/450446156.db2.gz FAUYKBOJKKCBFE-RTBURBONSA-N 2 1 343.471 1.143 20 0 EDADMP O=C([C@H](C[NH+]1CCCC1)c1ccccc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000616549522 450446161 /nfs/dbraw/zinc/44/61/61/450446161.db2.gz FAUYKBOJKKCBFE-RTBURBONSA-N 2 1 343.471 1.143 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCOCC2)CC1(C)C ZINC000623546591 450540540 /nfs/dbraw/zinc/54/05/40/450540540.db2.gz IOURXFWQRAKHJS-MRXNPFEDSA-N 2 1 325.497 1.330 20 0 EDADMP COC1CC[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000626023165 450555983 /nfs/dbraw/zinc/55/59/83/450555983.db2.gz ZFIBUVBILAVBSO-RBUKOAKNSA-N 2 1 345.487 1.559 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@]3(CO)CCCC(C)(C)C3)cn2)CC1 ZINC000623669552 450563015 /nfs/dbraw/zinc/56/30/15/450563015.db2.gz PRMIYMBDZAEFEM-IBGZPJMESA-N 2 1 347.507 1.649 20 0 EDADMP CCC1([NH+](C)C)CCN(C(=O)NCCC[N@@H+](C)CCOC)CC1 ZINC000633077099 450663071 /nfs/dbraw/zinc/66/30/71/450663071.db2.gz QSSKYEYLPFLCNZ-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP FC(F)CN1CCC[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000624097897 450705946 /nfs/dbraw/zinc/70/59/46/450705946.db2.gz ILLVVTKMKROALQ-JKSUJKDBSA-N 2 1 331.451 1.949 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000629513887 450722671 /nfs/dbraw/zinc/72/26/71/450722671.db2.gz XKKXPXPJVKPIOO-CYBMUJFWSA-N 2 1 346.406 1.768 20 0 EDADMP O[C@@H](C[NH2+]Cc1ccc(COC2CCOCC2)cc1)C[NH+]1CCCC1 ZINC000629570208 450740387 /nfs/dbraw/zinc/74/03/87/450740387.db2.gz JJQDCNHXMLEBRI-IBGZPJMESA-N 2 1 348.487 1.929 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000629570327 450741002 /nfs/dbraw/zinc/74/10/02/450741002.db2.gz CCJDYQOHBJWQJL-CQSZACIVSA-N 2 1 327.375 1.238 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000629570327 450741012 /nfs/dbraw/zinc/74/10/12/450741012.db2.gz CCJDYQOHBJWQJL-CQSZACIVSA-N 2 1 327.375 1.238 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC(=O)N1CCc3sccc3C1)C2 ZINC000629585612 450750573 /nfs/dbraw/zinc/75/05/73/450750573.db2.gz YGZBVRYTBWVIDS-HDICACEKSA-N 2 1 333.501 1.954 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)[C@H]2CCC[C@H]21 ZINC000624261801 450769329 /nfs/dbraw/zinc/76/93/29/450769329.db2.gz BHXGQEAERORTFW-OWCLPIDISA-N 2 1 345.443 1.859 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)[C@H]2CCC[C@H]21 ZINC000624261801 450769335 /nfs/dbraw/zinc/76/93/35/450769335.db2.gz BHXGQEAERORTFW-OWCLPIDISA-N 2 1 345.443 1.859 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000631827115 450799586 /nfs/dbraw/zinc/79/95/86/450799586.db2.gz FRZYXNKYZYDXHY-RYRKJORJSA-N 2 1 345.487 1.940 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888172 450850497 /nfs/dbraw/zinc/85/04/97/450850497.db2.gz WTEUOLCSHFSDGF-PBHICJAKSA-N 2 1 327.428 1.747 20 0 EDADMP CC(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CC2([NH+](C)C)CC2)cc1 ZINC000631903204 450861811 /nfs/dbraw/zinc/86/18/11/450861811.db2.gz BJTROOADLOQAJZ-INIZCTEOSA-N 2 1 339.505 1.823 20 0 EDADMP C[N@@H+](CCC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C1CCCCC1 ZINC000633481208 450872203 /nfs/dbraw/zinc/87/22/03/450872203.db2.gz BBXYMGIDRHOOOY-QGZVFWFLSA-N 2 1 325.497 1.604 20 0 EDADMP Cc1cc(C2(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)CC2)on1 ZINC000635410480 450917271 /nfs/dbraw/zinc/91/72/71/450917271.db2.gz IQJZWEQISOGSKC-UHFFFAOYSA-N 2 1 341.415 1.800 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C[C@@H]3CC[NH+](C)C3)c2)CCO1 ZINC000635426344 450931517 /nfs/dbraw/zinc/93/15/17/450931517.db2.gz QSBBGVXTJICSQT-LPHOPBHVSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C[C@@H]3CC[NH+](C)C3)c2)CCO1 ZINC000635426344 450931523 /nfs/dbraw/zinc/93/15/23/450931523.db2.gz QSBBGVXTJICSQT-LPHOPBHVSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)c2)CCO1 ZINC000635426344 450931527 /nfs/dbraw/zinc/93/15/27/450931527.db2.gz QSBBGVXTJICSQT-LPHOPBHVSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)c2)CCO1 ZINC000635426344 450931529 /nfs/dbraw/zinc/93/15/29/450931529.db2.gz QSBBGVXTJICSQT-LPHOPBHVSA-N 2 1 345.487 1.865 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cn2cc[nH+]c12 ZINC000627826013 450958965 /nfs/dbraw/zinc/95/89/65/450958965.db2.gz MBQQXTUTZYIAHK-CQSZACIVSA-N 2 1 343.431 1.429 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+](C)C2)cn2cc[nH+]c12 ZINC000627826013 450958969 /nfs/dbraw/zinc/95/89/69/450958969.db2.gz MBQQXTUTZYIAHK-CQSZACIVSA-N 2 1 343.431 1.429 20 0 EDADMP CCc1c[nH]c(CC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000635465451 450964698 /nfs/dbraw/zinc/96/46/98/450964698.db2.gz PQWFTZARNOJUJY-MRXNPFEDSA-N 2 1 335.496 1.389 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[NH2+]1 ZINC000626924773 451007616 /nfs/dbraw/zinc/00/76/16/451007616.db2.gz XDDZFDSZDPKNNE-QAPCUYQASA-N 2 1 346.475 1.459 20 0 EDADMP CC[C@H](CNC(=O)N(C)CCOCC[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000626935120 451017390 /nfs/dbraw/zinc/01/73/90/451017390.db2.gz XTABFLBIZQMDKW-GOSISDBHSA-N 2 1 348.491 1.440 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000626948771 451027583 /nfs/dbraw/zinc/02/75/83/451027583.db2.gz ZHFNRUSYRGHJGG-OWCLPIDISA-N 2 1 328.501 1.230 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCOCCC[NH3+] ZINC000627012435 451077600 /nfs/dbraw/zinc/07/76/00/451077600.db2.gz AVAPYTYNWFXJLF-RDJZCZTQSA-N 2 1 334.464 1.172 20 0 EDADMP Cc1cn2c(n1)C[C@H](C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000628015968 451088838 /nfs/dbraw/zinc/08/88/38/451088838.db2.gz NYQQUVOOOGQZGR-LVQVYYBASA-N 2 1 334.464 1.368 20 0 EDADMP CC1([NH+]2CCCC2)CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000633943492 451119052 /nfs/dbraw/zinc/11/90/52/451119052.db2.gz ONPFIZJSPKDOEP-UHFFFAOYSA-N 2 1 337.508 1.966 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCOCC2)[C@@H](Cc2ccccc2)C1 ZINC000627148498 451147551 /nfs/dbraw/zinc/14/75/51/451147551.db2.gz XGOMYMHQIRZZJX-KRWDZBQOSA-N 2 1 346.475 1.063 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC2([NH3+])CCOCC2)[C@@H](Cc2ccccc2)C1 ZINC000627148498 451147558 /nfs/dbraw/zinc/14/75/58/451147558.db2.gz XGOMYMHQIRZZJX-KRWDZBQOSA-N 2 1 346.475 1.063 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627167674 451161478 /nfs/dbraw/zinc/16/14/78/451161478.db2.gz KOSYYGZHQYKFFH-BPKGMFCQSA-N 2 1 338.496 1.410 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627167674 451161482 /nfs/dbraw/zinc/16/14/82/451161482.db2.gz KOSYYGZHQYKFFH-BPKGMFCQSA-N 2 1 338.496 1.410 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000635711241 451189952 /nfs/dbraw/zinc/18/99/52/451189952.db2.gz PSQWSQBIEBUBKR-GOSISDBHSA-N 2 1 333.476 1.124 20 0 EDADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000635716540 451195240 /nfs/dbraw/zinc/19/52/40/451195240.db2.gz TXPSWFOVVNSEIZ-KRWDZBQOSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000627237865 451203467 /nfs/dbraw/zinc/20/34/67/451203467.db2.gz XASUYSNPIRBPRZ-WMLDXEAASA-N 2 1 334.439 1.793 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000627237865 451203472 /nfs/dbraw/zinc/20/34/72/451203472.db2.gz XASUYSNPIRBPRZ-WMLDXEAASA-N 2 1 334.439 1.793 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cnn2ccccc12 ZINC000640368459 451285673 /nfs/dbraw/zinc/28/56/73/451285673.db2.gz FRBAUVQQYWENCA-AWEZNQCLSA-N 2 1 332.452 1.728 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cnn2ccccc12 ZINC000640368459 451285682 /nfs/dbraw/zinc/28/56/82/451285682.db2.gz FRBAUVQQYWENCA-AWEZNQCLSA-N 2 1 332.452 1.728 20 0 EDADMP C[C@H](O)CN1CCN(C(=O)C[C@@H](n2ccnc2)C(F)(F)F)[C@H](C)C1 ZINC000635818834 451266133 /nfs/dbraw/zinc/26/61/33/451266133.db2.gz MRJUUIJBRHSHDY-FRRDWIJNSA-N 2 1 348.369 1.290 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000638101676 451267741 /nfs/dbraw/zinc/26/77/41/451267741.db2.gz QQOMGGHPPJHOMI-LJQANCHMSA-N 2 1 342.487 1.310 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000638103477 451270701 /nfs/dbraw/zinc/27/07/01/451270701.db2.gz OTBSNQPJGLJTHA-IMFGXOCKSA-N 2 1 345.487 1.911 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)c2oc(C[NH3+])cc2C)[C@H](C)C1 ZINC000638118274 451287240 /nfs/dbraw/zinc/28/72/40/451287240.db2.gz WJQLECZNKFEYJG-ZBFHGGJFSA-N 2 1 337.464 1.914 20 0 EDADMP CN(Cc1cc[nH]n1)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638110988 451277943 /nfs/dbraw/zinc/27/79/43/451277943.db2.gz BQOBPBVCRBHODN-UHFFFAOYSA-N 2 1 341.459 1.752 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638111665 451279382 /nfs/dbraw/zinc/27/93/82/451279382.db2.gz PEHOCTWIMKRAIP-LJQANCHMSA-N 2 1 346.519 1.684 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000638113236 451280974 /nfs/dbraw/zinc/28/09/74/451280974.db2.gz AFHPBEMCWRRXQR-CZUORRHYSA-N 2 1 325.478 1.496 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000638113236 451280979 /nfs/dbraw/zinc/28/09/79/451280979.db2.gz AFHPBEMCWRRXQR-CZUORRHYSA-N 2 1 325.478 1.496 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000638113236 451280982 /nfs/dbraw/zinc/28/09/82/451280982.db2.gz AFHPBEMCWRRXQR-CZUORRHYSA-N 2 1 325.478 1.496 20 0 EDADMP O=C(CCC1C[NH2+]C1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000638137899 451312277 /nfs/dbraw/zinc/31/22/77/451312277.db2.gz QJDQHBVUBRGSML-UHFFFAOYSA-N 2 1 344.503 1.310 20 0 EDADMP CCC[NH2+]CCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638148452 451322519 /nfs/dbraw/zinc/32/25/19/451322519.db2.gz ZNTOYMFVOQNFSC-UHFFFAOYSA-N 3 1 332.492 1.486 20 0 EDADMP CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000632477891 451326266 /nfs/dbraw/zinc/32/62/66/451326266.db2.gz QKXMWSJUQAUKMZ-KRWDZBQOSA-N 2 1 337.489 1.463 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000638195161 451349790 /nfs/dbraw/zinc/34/97/90/451349790.db2.gz RFBMDAOIHIEHFQ-LJQANCHMSA-N 2 1 338.455 1.365 20 0 EDADMP CC1(C)[C@H](NC(=O)C2C[NH+](C3CCCCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000640513885 451366114 /nfs/dbraw/zinc/36/61/14/451366114.db2.gz XSVRMTDTNOLZGM-MSOLQXFVSA-N 2 1 349.519 1.866 20 0 EDADMP COC[C@@]1(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000638227771 451368723 /nfs/dbraw/zinc/36/87/23/451368723.db2.gz ASJPJUAYRPPPRF-HKUYNNGSSA-N 2 1 331.460 1.393 20 0 EDADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638267080 451388152 /nfs/dbraw/zinc/38/81/52/451388152.db2.gz FDRKLEGMLGAYDG-QZTJIDSGSA-N 3 1 344.503 1.614 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000638284989 451400983 /nfs/dbraw/zinc/40/09/83/451400983.db2.gz CSBASCVLAFVWET-WZGPROSRSA-N 2 1 345.487 1.862 20 0 EDADMP C[C@](O)(C[C@H](O)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000634642872 451435785 /nfs/dbraw/zinc/43/57/85/451435785.db2.gz RXJGYHCXTZJUGR-PMACEKPBSA-N 2 1 332.488 1.936 20 0 EDADMP C[C@](O)(C[C@H](O)C[NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000634642872 451435789 /nfs/dbraw/zinc/43/57/89/451435789.db2.gz RXJGYHCXTZJUGR-PMACEKPBSA-N 2 1 332.488 1.936 20 0 EDADMP C[C@@H](C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[NH+]1CCSCC1 ZINC000628904667 451466020 /nfs/dbraw/zinc/46/60/20/451466020.db2.gz OCPOGMONSNNSNA-HNNXBMFYSA-N 2 1 341.521 1.137 20 0 EDADMP CO[C@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000638367946 451467311 /nfs/dbraw/zinc/46/73/11/451467311.db2.gz RKNWMTOZRJKRIW-XFKSJGNHSA-N 2 1 343.471 1.486 20 0 EDADMP O[C@]1(C[NH2+]CCN2CCSCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704200 451479047 /nfs/dbraw/zinc/47/90/47/451479047.db2.gz HMFYSUVHVJGFNJ-SFHVURJKSA-N 2 1 335.517 1.262 20 0 EDADMP O[C@]1(C[NH2+]CCN2CCSCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704200 451479052 /nfs/dbraw/zinc/47/90/52/451479052.db2.gz HMFYSUVHVJGFNJ-SFHVURJKSA-N 2 1 335.517 1.262 20 0 EDADMP O[C@@]1(C[NH2+]CCCCn2ccnc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704654 451480313 /nfs/dbraw/zinc/48/03/13/451480313.db2.gz NKRNQHJGHNOUAQ-LJQANCHMSA-N 2 1 328.460 1.890 20 0 EDADMP O[C@@]1(C[NH2+]CCCCn2ccnc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704654 451480320 /nfs/dbraw/zinc/48/03/20/451480320.db2.gz NKRNQHJGHNOUAQ-LJQANCHMSA-N 2 1 328.460 1.890 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634709777 451487611 /nfs/dbraw/zinc/48/76/11/451487611.db2.gz OAMILUNWFOJLNE-IRXDYDNUSA-N 2 1 328.497 1.237 20 0 EDADMP O=C1C[C@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000634711070 451489608 /nfs/dbraw/zinc/48/96/08/451489608.db2.gz ITAPZNVRZYJVMO-YLJYHZDGSA-N 2 1 343.471 1.224 20 0 EDADMP O=C1C[C@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000634711070 451489614 /nfs/dbraw/zinc/48/96/14/451489614.db2.gz ITAPZNVRZYJVMO-YLJYHZDGSA-N 2 1 343.471 1.224 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000638342341 451446015 /nfs/dbraw/zinc/44/60/15/451446015.db2.gz PXBAIACLOKSFEQ-WBVHZDCISA-N 2 1 334.464 1.751 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000636089937 451508101 /nfs/dbraw/zinc/50/81/01/451508101.db2.gz CHEIJBUEAIUQDW-KGLIPLIRSA-N 2 1 344.463 1.681 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)CC2)cs1 ZINC000638647961 451631161 /nfs/dbraw/zinc/63/11/61/451631161.db2.gz QPOHRJHIGPUOAS-SWLSCSKDSA-N 2 1 336.505 1.920 20 0 EDADMP CN(CCOCC[NH3+])C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000638675476 451646196 /nfs/dbraw/zinc/64/61/96/451646196.db2.gz HNMIVIZFYNYZCR-INIZCTEOSA-N 2 1 337.489 1.210 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCCCC[C@H]([NH3+])C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000638819993 451700455 /nfs/dbraw/zinc/70/04/55/451700455.db2.gz OHUADLLOJCIAMX-NCOADZHNSA-N 2 1 325.497 1.850 20 0 EDADMP COc1cccc(OCCn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000641043414 451740585 /nfs/dbraw/zinc/74/05/85/451740585.db2.gz AMTSOPCQKIAYOX-UHFFFAOYSA-N 2 1 345.447 1.331 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c2ccccc2)CC1 ZINC000638968043 451743264 /nfs/dbraw/zinc/74/32/64/451743264.db2.gz OLBZRMHTIXHCBH-BHIYHBOVSA-N 2 1 344.503 1.609 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000641180969 451771407 /nfs/dbraw/zinc/77/14/07/451771407.db2.gz KSTIRGAGOXVMLF-UHFFFAOYSA-N 2 1 332.448 1.154 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC2CC[NH+](CC(C)(C)O)CC2)CCCO1 ZINC000639122209 451771922 /nfs/dbraw/zinc/77/19/22/451771922.db2.gz RRTODUAZIDJHOO-INIZCTEOSA-N 2 1 327.513 1.312 20 0 EDADMP O[C@]1(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641230360 451791393 /nfs/dbraw/zinc/79/13/93/451791393.db2.gz PWYOUXKELWMHHP-IEBWSBKVSA-N 2 1 341.459 1.382 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000642021599 451806091 /nfs/dbraw/zinc/80/60/91/451806091.db2.gz HPBGJCZULGNPJD-ROUUACIJSA-N 2 1 346.475 1.138 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000644524122 451840144 /nfs/dbraw/zinc/84/01/44/451840144.db2.gz USWGDVVOTSUHQD-KZNAEPCWSA-N 2 1 334.460 1.789 20 0 EDADMP C[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000649076426 451818416 /nfs/dbraw/zinc/81/84/16/451818416.db2.gz XXSAQRWUTXMNLV-JKSUJKDBSA-N 2 1 346.475 1.085 20 0 EDADMP C[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000649076426 451818424 /nfs/dbraw/zinc/81/84/24/451818424.db2.gz XXSAQRWUTXMNLV-JKSUJKDBSA-N 2 1 346.475 1.085 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000649131478 451866388 /nfs/dbraw/zinc/86/63/88/451866388.db2.gz NWPQCNPSHNKJBH-QGZVFWFLSA-N 2 1 331.460 1.613 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000644575226 451870321 /nfs/dbraw/zinc/87/03/21/451870321.db2.gz XTSXYBJIOICZIJ-XOKHGSTOSA-N 2 1 335.448 1.457 20 0 EDADMP O=C([C@@H]1CCc2cncn2C1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000649209206 451905212 /nfs/dbraw/zinc/90/52/12/451905212.db2.gz GVZFAFJJJWSECD-WBVHZDCISA-N 2 1 332.448 1.159 20 0 EDADMP CC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000644636479 451910180 /nfs/dbraw/zinc/91/01/80/451910180.db2.gz VFKUJNSGCNRPDE-MOPGFXCFSA-N 2 1 333.476 1.327 20 0 EDADMP CC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000644636479 451910186 /nfs/dbraw/zinc/91/01/86/451910186.db2.gz VFKUJNSGCNRPDE-MOPGFXCFSA-N 2 1 333.476 1.327 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000644672989 451932324 /nfs/dbraw/zinc/93/23/24/451932324.db2.gz OORWNKVRWNLKRY-JKSUJKDBSA-N 2 1 327.419 1.408 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000644672989 451932329 /nfs/dbraw/zinc/93/23/29/451932329.db2.gz OORWNKVRWNLKRY-JKSUJKDBSA-N 2 1 327.419 1.408 20 0 EDADMP COCC1(O)CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639548531 451937499 /nfs/dbraw/zinc/93/74/99/451937499.db2.gz JLNGLRBCPHWDNR-LJQANCHMSA-N 2 1 334.460 1.097 20 0 EDADMP COCC1(O)CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639548531 451937506 /nfs/dbraw/zinc/93/75/06/451937506.db2.gz JLNGLRBCPHWDNR-LJQANCHMSA-N 2 1 334.460 1.097 20 0 EDADMP COCC1(O)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639548531 451937510 /nfs/dbraw/zinc/93/75/10/451937510.db2.gz JLNGLRBCPHWDNR-LJQANCHMSA-N 2 1 334.460 1.097 20 0 EDADMP COCC1(O)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639548531 451937515 /nfs/dbraw/zinc/93/75/15/451937515.db2.gz JLNGLRBCPHWDNR-LJQANCHMSA-N 2 1 334.460 1.097 20 0 EDADMP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000649279036 451950361 /nfs/dbraw/zinc/95/03/61/451950361.db2.gz RMMHTWDEDFKREQ-IBGZPJMESA-N 2 1 343.471 1.312 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000637608618 451971907 /nfs/dbraw/zinc/97/19/07/451971907.db2.gz WVUCPEPTGUEHKF-WMZOPIPTSA-N 2 1 330.476 1.712 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000637608618 451971915 /nfs/dbraw/zinc/97/19/15/451971915.db2.gz WVUCPEPTGUEHKF-WMZOPIPTSA-N 2 1 330.476 1.712 20 0 EDADMP COCCC1(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000649307221 451983108 /nfs/dbraw/zinc/98/31/08/451983108.db2.gz ASTIZHKYSRRMOY-IXDOHACOSA-N 2 1 339.524 1.875 20 0 EDADMP CCN1CC[NH+](CCCC[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651676460 452007817 /nfs/dbraw/zinc/00/78/17/452007817.db2.gz AHLYCCFJRDVIQF-UHFFFAOYSA-N 2 1 342.491 1.775 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000649331735 452013104 /nfs/dbraw/zinc/01/31/04/452013104.db2.gz SCKNLPSPDXCUMD-LSDHHAIUSA-N 2 1 348.495 1.443 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c2)C[C@H](C)O1 ZINC000649337759 452017588 /nfs/dbraw/zinc/01/75/88/452017588.db2.gz NJDMNIPGOIXTTO-AQDKSWOWSA-N 2 1 329.444 1.985 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c2)C[C@H](C)O1 ZINC000649337759 452017592 /nfs/dbraw/zinc/01/75/92/452017592.db2.gz NJDMNIPGOIXTTO-AQDKSWOWSA-N 2 1 329.444 1.985 20 0 EDADMP Cn1ccnc1[C@H]1CC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000653591460 452029105 /nfs/dbraw/zinc/02/91/05/452029105.db2.gz HYFFYDHXJFYQTA-HOTGVXAUSA-N 2 1 340.427 1.329 20 0 EDADMP Cn1ccnc1[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000653591460 452029113 /nfs/dbraw/zinc/02/91/13/452029113.db2.gz HYFFYDHXJFYQTA-HOTGVXAUSA-N 2 1 340.427 1.329 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000643062004 452029606 /nfs/dbraw/zinc/02/96/06/452029606.db2.gz BWAPHFULNLGGLF-IRXDYDNUSA-N 2 1 344.459 1.721 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000643062004 452029613 /nfs/dbraw/zinc/02/96/13/452029613.db2.gz BWAPHFULNLGGLF-IRXDYDNUSA-N 2 1 344.459 1.721 20 0 EDADMP Fc1cccc(-n2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000643072461 452033267 /nfs/dbraw/zinc/03/32/67/452033267.db2.gz FUTUZROSSOCIFO-SFHVURJKSA-N 2 1 329.423 1.491 20 0 EDADMP Fc1cccc(-n2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000643072461 452033272 /nfs/dbraw/zinc/03/32/72/452033272.db2.gz FUTUZROSSOCIFO-SFHVURJKSA-N 2 1 329.423 1.491 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000647094189 452057279 /nfs/dbraw/zinc/05/72/79/452057279.db2.gz XQMLHRSDVGEELG-QGZVFWFLSA-N 2 1 345.491 1.581 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)NCc3cc(F)cc(F)c3)C2)CC1 ZINC000639757549 452096847 /nfs/dbraw/zinc/09/68/47/452096847.db2.gz HUXAAFOKRUCPDJ-UHFFFAOYSA-N 2 1 337.414 1.999 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639759611 452097999 /nfs/dbraw/zinc/09/79/99/452097999.db2.gz DPVJRWHMBMHWNJ-UHFFFAOYSA-N 2 1 345.487 1.908 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C2)CC1 ZINC000639758641 452098368 /nfs/dbraw/zinc/09/83/68/452098368.db2.gz WUMHEFSVFADEHL-IRXDYDNUSA-N 2 1 335.492 1.574 20 0 EDADMP [NH3+]C1CCC(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000637820383 452101241 /nfs/dbraw/zinc/10/12/41/452101241.db2.gz XTZUTXAYBVJSNI-UHFFFAOYSA-N 3 1 344.503 1.756 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637828900 452105792 /nfs/dbraw/zinc/10/57/92/452105792.db2.gz IMLNMFIDTFXPIB-UHFFFAOYSA-N 3 1 346.519 1.874 20 0 EDADMP COCCn1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647248832 452145662 /nfs/dbraw/zinc/14/56/62/452145662.db2.gz JPCVJLYDWBHUJC-MOPGFXCFSA-N 2 1 328.460 1.965 20 0 EDADMP COCCn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647248832 452145664 /nfs/dbraw/zinc/14/56/64/452145664.db2.gz JPCVJLYDWBHUJC-MOPGFXCFSA-N 2 1 328.460 1.965 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCC[C@@H]3[NH3+])c2)C1 ZINC000643462710 452235228 /nfs/dbraw/zinc/23/52/28/452235228.db2.gz HOQXNVVIZPJIIB-SQNIBIBYSA-N 2 1 330.476 1.353 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])c2)C1 ZINC000643462710 452235238 /nfs/dbraw/zinc/23/52/38/452235238.db2.gz HOQXNVVIZPJIIB-SQNIBIBYSA-N 3 1 330.476 1.353 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])c2)C1 ZINC000643462710 452235246 /nfs/dbraw/zinc/23/52/46/452235246.db2.gz HOQXNVVIZPJIIB-SQNIBIBYSA-N 3 1 330.476 1.353 20 0 EDADMP CCOCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000647528108 452263073 /nfs/dbraw/zinc/26/30/73/452263073.db2.gz JJQMIGDTOUQTHI-GBESFXJTSA-N 2 1 336.476 1.247 20 0 EDADMP CCOCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000647528108 452263080 /nfs/dbraw/zinc/26/30/80/452263080.db2.gz JJQMIGDTOUQTHI-GBESFXJTSA-N 2 1 336.476 1.247 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000663560242 452274914 /nfs/dbraw/zinc/27/49/14/452274914.db2.gz JZRIJFAAGIXYLY-IRXDYDNUSA-N 2 1 339.528 1.042 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000641805029 452282601 /nfs/dbraw/zinc/28/26/01/452282601.db2.gz MJITVDKSSLIIKT-GJZGRUSLSA-N 2 1 330.432 1.233 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000659436826 452283254 /nfs/dbraw/zinc/28/32/54/452283254.db2.gz ZOHQSRCKBPBVJO-QGZVFWFLSA-N 2 1 347.507 1.101 20 0 EDADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000641805828 452285569 /nfs/dbraw/zinc/28/55/69/452285569.db2.gz OWHSDYNHSPUPBV-KNXALSJPSA-N 2 1 333.432 1.890 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000641808223 452288127 /nfs/dbraw/zinc/28/81/27/452288127.db2.gz TYMXKLWWIOLRKR-IAGOWNOFSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H]([NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C(C)(C)n1cncn1 ZINC000638035312 452291121 /nfs/dbraw/zinc/29/11/21/452291121.db2.gz RPWMNYCLARLTRR-SJORKVTESA-N 2 1 334.512 1.504 20 0 EDADMP COCCN1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000649850880 452313199 /nfs/dbraw/zinc/31/31/99/452313199.db2.gz DOGOSYDQQUVJNM-UHFFFAOYSA-N 2 1 340.556 1.445 20 0 EDADMP COCC[N@@H+]1CCN(CCCN2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000649850880 452313206 /nfs/dbraw/zinc/31/32/06/452313206.db2.gz DOGOSYDQQUVJNM-UHFFFAOYSA-N 2 1 340.556 1.445 20 0 EDADMP COCC[N@H+]1CCN(CCCN2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000649850880 452313213 /nfs/dbraw/zinc/31/32/13/452313213.db2.gz DOGOSYDQQUVJNM-UHFFFAOYSA-N 2 1 340.556 1.445 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000639985587 452318672 /nfs/dbraw/zinc/31/86/72/452318672.db2.gz BAWRRDCDRWILGH-MRXNPFEDSA-N 2 1 343.537 1.608 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)C[C@@H]1CCCOC1 ZINC000665757853 452327048 /nfs/dbraw/zinc/32/70/48/452327048.db2.gz YHPQTKJECQOVOH-HOTGVXAUSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)C[C@@H]1CCCOC1 ZINC000665757853 452327053 /nfs/dbraw/zinc/32/70/53/452327053.db2.gz YHPQTKJECQOVOH-HOTGVXAUSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000665758903 452327209 /nfs/dbraw/zinc/32/72/09/452327209.db2.gz SLSMDORFRWNNNB-ULQDDVLXSA-N 2 1 341.544 1.383 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000665758903 452327217 /nfs/dbraw/zinc/32/72/17/452327217.db2.gz SLSMDORFRWNNNB-ULQDDVLXSA-N 3 1 341.544 1.383 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000665758903 452327219 /nfs/dbraw/zinc/32/72/19/452327219.db2.gz SLSMDORFRWNNNB-ULQDDVLXSA-N 3 1 341.544 1.383 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000665758903 452327225 /nfs/dbraw/zinc/32/72/25/452327225.db2.gz SLSMDORFRWNNNB-ULQDDVLXSA-N 3 1 341.544 1.383 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000665758903 452327228 /nfs/dbraw/zinc/32/72/28/452327228.db2.gz SLSMDORFRWNNNB-ULQDDVLXSA-N 3 1 341.544 1.383 20 0 EDADMP CO[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665761082 452337312 /nfs/dbraw/zinc/33/73/12/452337312.db2.gz WKGOWZACHISEPC-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](n2cccn2)C1 ZINC000665762403 452341500 /nfs/dbraw/zinc/34/15/00/452341500.db2.gz CRUMYFVLWMPNSD-HOTGVXAUSA-N 2 1 336.484 1.112 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](n2cccn2)C1 ZINC000665762403 452341506 /nfs/dbraw/zinc/34/15/06/452341506.db2.gz CRUMYFVLWMPNSD-HOTGVXAUSA-N 2 1 336.484 1.112 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H]2COC[C@@H]21 ZINC000665763815 452349081 /nfs/dbraw/zinc/34/90/81/452349081.db2.gz MRGQKSONUNPKNJ-XHSDSOJGSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H]2COC[C@@H]21 ZINC000665763815 452349092 /nfs/dbraw/zinc/34/90/92/452349092.db2.gz MRGQKSONUNPKNJ-XHSDSOJGSA-N 2 1 326.485 1.079 20 0 EDADMP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657594481 452360292 /nfs/dbraw/zinc/36/02/92/452360292.db2.gz ATNICQMLRIJPMX-KRWDZBQOSA-N 2 1 329.448 1.463 20 0 EDADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000657596948 452365032 /nfs/dbraw/zinc/36/50/32/452365032.db2.gz PQTMSJUBYHBKPI-SFHVURJKSA-N 2 1 327.428 1.947 20 0 EDADMP CC[NH2+]CCCNC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659506247 452371056 /nfs/dbraw/zinc/37/10/56/452371056.db2.gz ZPOYKDQQICUPOW-SFHVURJKSA-N 2 1 347.507 1.101 20 0 EDADMP CC[NH2+]CCCNC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659506247 452371059 /nfs/dbraw/zinc/37/10/59/452371059.db2.gz ZPOYKDQQICUPOW-SFHVURJKSA-N 2 1 347.507 1.101 20 0 EDADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000661639738 452457644 /nfs/dbraw/zinc/45/76/44/452457644.db2.gz OJTFBQPJLUJLFB-PMACEKPBSA-N 2 1 331.504 1.690 20 0 EDADMP C[NH+](C[C@H](O)CN1CC[C@H]([N@H+](C)CCc2ccccc2)C1)C1CC1 ZINC000661639738 452457654 /nfs/dbraw/zinc/45/76/54/452457654.db2.gz OJTFBQPJLUJLFB-PMACEKPBSA-N 2 1 331.504 1.690 20 0 EDADMP C[NH+](C[C@H](O)CN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)C1CC1 ZINC000661639738 452457663 /nfs/dbraw/zinc/45/76/63/452457663.db2.gz OJTFBQPJLUJLFB-PMACEKPBSA-N 2 1 331.504 1.690 20 0 EDADMP C[C@@]1(C[NH3+])CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659609232 452466169 /nfs/dbraw/zinc/46/61/69/452466169.db2.gz IYENBQLRKYHVFG-INMHGKMJSA-N 2 1 336.480 1.010 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000659621985 452478526 /nfs/dbraw/zinc/47/85/26/452478526.db2.gz MCDRCURTDGWRGG-OAHLLOKOSA-N 2 1 328.501 1.360 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2COC[C@]2(C)C1)c1ccccc1 ZINC000661698842 452502624 /nfs/dbraw/zinc/50/26/24/452502624.db2.gz BELMZKGHXMPXSA-LMMKCTJWSA-N 2 1 331.460 1.374 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000655680475 452506266 /nfs/dbraw/zinc/50/62/66/452506266.db2.gz MHYPEQNWWQGONN-HZPDHXFCSA-N 2 1 326.485 1.007 20 0 EDADMP CCN(CC)C(=O)CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655691890 452512434 /nfs/dbraw/zinc/51/24/34/452512434.db2.gz ZSGLIXKABBAAKL-KRWDZBQOSA-N 2 1 325.497 1.868 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccn(C)c(=O)c1 ZINC000640207991 452515630 /nfs/dbraw/zinc/51/56/30/452515630.db2.gz OOMMJMXLZQXVSJ-MRXNPFEDSA-N 2 1 349.479 1.265 20 0 EDADMP CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345474 452520514 /nfs/dbraw/zinc/52/05/14/452520514.db2.gz CKMALHVSCJAZFT-GBESFXJTSA-N 2 1 345.487 1.863 20 0 EDADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647786525 452522079 /nfs/dbraw/zinc/52/20/79/452522079.db2.gz RASUIOOLMXELKJ-XUVXKRRUSA-N 3 1 329.488 1.997 20 0 EDADMP CC(C)CN(C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347494 452522376 /nfs/dbraw/zinc/52/23/76/452522376.db2.gz CFEOSCFVMREFLM-JZXOWHBKSA-N 2 1 337.508 1.852 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3nc(-c4ccccn4)no3)C2)C1 ZINC000652348453 452523159 /nfs/dbraw/zinc/52/31/59/452523159.db2.gz FFPYDSXPOBGLFZ-FMKPAKJESA-N 2 1 343.431 1.850 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)C1 ZINC000652347547 452523681 /nfs/dbraw/zinc/52/36/81/452523681.db2.gz DJQMWQHJACFLQK-BBWFWOEESA-N 2 1 335.492 1.510 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652350341 452526119 /nfs/dbraw/zinc/52/61/19/452526119.db2.gz SXEQXQOIMNSCMS-JRBPQWBISA-N 3 1 347.503 1.956 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652350341 452526126 /nfs/dbraw/zinc/52/61/26/452526126.db2.gz SXEQXQOIMNSCMS-JRBPQWBISA-N 2 1 347.503 1.956 20 0 EDADMP COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652350341 452526133 /nfs/dbraw/zinc/52/61/33/452526133.db2.gz SXEQXQOIMNSCMS-JRBPQWBISA-N 2 1 347.503 1.956 20 0 EDADMP COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652350341 452526140 /nfs/dbraw/zinc/52/61/40/452526140.db2.gz SXEQXQOIMNSCMS-JRBPQWBISA-N 2 1 347.503 1.956 20 0 EDADMP CNC(=O)c1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652349033 452527126 /nfs/dbraw/zinc/52/71/26/452527126.db2.gz ZISVIYNSKPCQPQ-OKZBNKHCSA-N 2 1 331.460 1.765 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OC ZINC000652353491 452528521 /nfs/dbraw/zinc/52/85/21/452528521.db2.gz LVXUJENXCKSZMY-GDBMZVCRSA-N 2 1 349.475 1.769 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OC ZINC000652353491 452528528 /nfs/dbraw/zinc/52/85/28/452528528.db2.gz LVXUJENXCKSZMY-GDBMZVCRSA-N 2 1 349.475 1.769 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655712489 452528663 /nfs/dbraw/zinc/52/86/63/452528663.db2.gz RXRGATDMRKGKOL-ZWKOTPCHSA-N 2 1 325.497 1.066 20 0 EDADMP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655712489 452528673 /nfs/dbraw/zinc/52/86/73/452528673.db2.gz RXRGATDMRKGKOL-ZWKOTPCHSA-N 3 1 325.497 1.066 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655712489 452528679 /nfs/dbraw/zinc/52/86/79/452528679.db2.gz RXRGATDMRKGKOL-ZWKOTPCHSA-N 3 1 325.497 1.066 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652354179 452532199 /nfs/dbraw/zinc/53/21/99/452532199.db2.gz OZANDGIACHSUNL-NVXWUHKLSA-N 2 1 333.476 1.803 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652354179 452532207 /nfs/dbraw/zinc/53/22/07/452532207.db2.gz OZANDGIACHSUNL-NVXWUHKLSA-N 2 1 333.476 1.803 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(=O)n3ccccc3n2)C1 ZINC000652360871 452541188 /nfs/dbraw/zinc/54/11/88/452541188.db2.gz SMYFWMSUNNCHKN-DJIMGWMZSA-N 2 1 342.443 1.555 20 0 EDADMP Cc1ccccc1CNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361432 452542562 /nfs/dbraw/zinc/54/25/62/452542562.db2.gz HFYPLULDSKFMOH-OTWHNJEPSA-N 2 1 345.487 1.972 20 0 EDADMP OCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCOCC1 ZINC000655755242 452559683 /nfs/dbraw/zinc/55/96/83/452559683.db2.gz UUXYMGQQRDMCCT-ROUUACIJSA-N 2 1 326.481 1.397 20 0 EDADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)[C@H]2C1 ZINC000655767901 452566972 /nfs/dbraw/zinc/56/69/72/452566972.db2.gz MVRFYRRWUNOUKT-LEAZDLGRSA-N 2 1 349.519 1.866 20 0 EDADMP C[C@H](Cn1cncn1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000657852677 452567722 /nfs/dbraw/zinc/56/77/22/452567722.db2.gz XDIROFMXUUMPIY-CVEARBPZSA-N 2 1 329.448 1.677 20 0 EDADMP C[C@H](Cn1cncn1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000657852677 452567728 /nfs/dbraw/zinc/56/77/28/452567728.db2.gz XDIROFMXUUMPIY-CVEARBPZSA-N 2 1 329.448 1.677 20 0 EDADMP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835028 452570534 /nfs/dbraw/zinc/57/05/34/452570534.db2.gz JQTHURCYFWVHSN-HNNXBMFYSA-N 2 1 336.455 1.010 20 0 EDADMP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835028 452570543 /nfs/dbraw/zinc/57/05/43/452570543.db2.gz JQTHURCYFWVHSN-HNNXBMFYSA-N 2 1 336.455 1.010 20 0 EDADMP C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CCN1CC[NH2+]CC1 ZINC000647835435 452573448 /nfs/dbraw/zinc/57/34/48/452573448.db2.gz YLWCXXWVYGROTD-IBGZPJMESA-N 2 1 344.503 1.407 20 0 EDADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655781095 452574485 /nfs/dbraw/zinc/57/44/85/452574485.db2.gz SQACUMKYRMZICL-FUHWJXTLSA-N 2 1 345.487 1.996 20 0 EDADMP OC[C@]1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCc2ccccc21 ZINC000655791913 452583672 /nfs/dbraw/zinc/58/36/72/452583672.db2.gz HGOSCBVOFDLRHW-AZUAARDMSA-N 2 1 330.472 1.706 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)cn2)CC1 ZINC000655811027 452590042 /nfs/dbraw/zinc/59/00/42/452590042.db2.gz HMOSEFJQJDLRCY-ROUUACIJSA-N 2 1 345.491 1.666 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000661857066 452635343 /nfs/dbraw/zinc/63/53/43/452635343.db2.gz LXXAALMJBRALMA-SOLBZPMBSA-N 2 1 333.476 1.905 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000661857066 452635355 /nfs/dbraw/zinc/63/53/55/452635355.db2.gz LXXAALMJBRALMA-SOLBZPMBSA-N 2 1 333.476 1.905 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647901954 452643596 /nfs/dbraw/zinc/64/35/96/452643596.db2.gz XUZJVSNWKUZUAK-NVXWUHKLSA-N 2 1 344.459 1.578 20 0 EDADMP C[C@@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000654561137 452643967 /nfs/dbraw/zinc/64/39/67/452643967.db2.gz CHNADIYYVHTXKH-BZZMCLGOSA-N 2 1 346.475 1.138 20 0 EDADMP C[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000657969231 452648963 /nfs/dbraw/zinc/64/89/63/452648963.db2.gz KPFMCOCFLHVJDN-CRAIPNDOSA-N 2 1 329.448 1.413 20 0 EDADMP [NH3+]C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000655910402 452666890 /nfs/dbraw/zinc/66/68/90/452666890.db2.gz RCFBPCXRLFIOQD-ZDUSSCGKSA-N 2 1 330.354 1.403 20 0 EDADMP [NH3+]C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C(F)(F)F ZINC000655913231 452672612 /nfs/dbraw/zinc/67/26/12/452672612.db2.gz SRFKKKHMJLBECH-CQSZACIVSA-N 2 1 344.381 1.794 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000652486211 452681049 /nfs/dbraw/zinc/68/10/49/452681049.db2.gz TWWPHIGLEGZCNT-MRXNPFEDSA-N 2 1 340.512 1.070 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H]1c1ccccc1 ZINC000655927176 452695074 /nfs/dbraw/zinc/69/50/74/452695074.db2.gz GNJLMNWUDWBNFX-XQQFMLRXSA-N 2 1 330.354 1.621 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000647960757 452705620 /nfs/dbraw/zinc/70/56/20/452705620.db2.gz HITIOWHUCSBSTM-BBWFWOEESA-N 2 1 327.513 1.704 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000647960757 452705626 /nfs/dbraw/zinc/70/56/26/452705626.db2.gz HITIOWHUCSBSTM-BBWFWOEESA-N 2 1 327.513 1.704 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000647960757 452705633 /nfs/dbraw/zinc/70/56/33/452705633.db2.gz HITIOWHUCSBSTM-BBWFWOEESA-N 2 1 327.513 1.704 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000647960757 452705642 /nfs/dbraw/zinc/70/56/42/452705642.db2.gz HITIOWHUCSBSTM-BBWFWOEESA-N 2 1 327.513 1.704 20 0 EDADMP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nn1 ZINC000655941151 452712663 /nfs/dbraw/zinc/71/26/63/452712663.db2.gz NEJUHMKTYZJTFE-TXEJJXNPSA-N 2 1 330.354 1.849 20 0 EDADMP Cc1cc(=O)n2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)sc2n1 ZINC000647976158 452721329 /nfs/dbraw/zinc/72/13/29/452721329.db2.gz KZXMXZOFZBZTPD-UONOGXRCSA-N 2 1 347.488 1.671 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000647977433 452723602 /nfs/dbraw/zinc/72/36/02/452723602.db2.gz BFMHMLGXDUDEHV-YDZRNGNQSA-N 2 1 349.519 1.868 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964292 452745630 /nfs/dbraw/zinc/74/56/30/452745630.db2.gz YZADDPGYOYODNX-LJIGWXMPSA-N 2 1 334.464 1.483 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964292 452745640 /nfs/dbraw/zinc/74/56/40/452745640.db2.gz YZADDPGYOYODNX-LJIGWXMPSA-N 2 1 334.464 1.483 20 0 EDADMP C[C@H](CNC(=O)NCCC1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655968647 452749560 /nfs/dbraw/zinc/74/95/60/452749560.db2.gz CLHZUZSDSNPVRW-KFWWJZLASA-N 2 1 326.485 1.173 20 0 EDADMP C[C@H](CNC(=O)NCCC1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655968647 452749571 /nfs/dbraw/zinc/74/95/71/452749571.db2.gz CLHZUZSDSNPVRW-KFWWJZLASA-N 2 1 326.485 1.173 20 0 EDADMP CCCN(C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000655971290 452755334 /nfs/dbraw/zinc/75/53/34/452755334.db2.gz ZFOUQJNCCAINBX-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP CCCN(C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000655971290 452755342 /nfs/dbraw/zinc/75/53/42/452755342.db2.gz ZFOUQJNCCAINBX-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+](CC)CC(=O)N1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659878536 452755315 /nfs/dbraw/zinc/75/53/15/452755315.db2.gz LUWRNBCNICBSMR-HDICACEKSA-N 2 1 338.540 1.450 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664077240 452770416 /nfs/dbraw/zinc/77/04/16/452770416.db2.gz OXOHYKJIZMAYPT-DLBZAZTESA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664077240 452770423 /nfs/dbraw/zinc/77/04/23/452770423.db2.gz OXOHYKJIZMAYPT-DLBZAZTESA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664077240 452770436 /nfs/dbraw/zinc/77/04/36/452770436.db2.gz OXOHYKJIZMAYPT-DLBZAZTESA-N 2 1 338.496 1.101 20 0 EDADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)C[C@H]2C1 ZINC000643883279 452792661 /nfs/dbraw/zinc/79/26/61/452792661.db2.gz JHOUGWMEFHLCFI-ZRSRNVLSSA-N 2 1 337.508 1.186 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000654726530 452840855 /nfs/dbraw/zinc/84/08/55/452840855.db2.gz ULTXGCQYAOGOKL-QZTJIDSGSA-N 2 1 343.475 1.930 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)C3CCC([NH3+])CC3)CC2)cn1 ZINC000648153016 452865071 /nfs/dbraw/zinc/86/50/71/452865071.db2.gz YYPBLVRZCWXOHK-UHFFFAOYSA-N 2 1 333.480 1.455 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)C3CCC([NH3+])CC3)CC2)cn1 ZINC000648153016 452865083 /nfs/dbraw/zinc/86/50/83/452865083.db2.gz YYPBLVRZCWXOHK-UHFFFAOYSA-N 2 1 333.480 1.455 20 0 EDADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1Br ZINC000648159736 452870339 /nfs/dbraw/zinc/87/03/39/452870339.db2.gz CZENFDQXEXOKFO-IMRBUKKESA-N 2 1 338.249 1.915 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C[C@H](C)[N@@H+]1CCO ZINC000654738787 452870946 /nfs/dbraw/zinc/87/09/46/452870946.db2.gz RCPSVVCWCCTUFZ-VVLHAWIVSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@H](C)[NH+]1CCO ZINC000654738787 452870949 /nfs/dbraw/zinc/87/09/49/452870949.db2.gz RCPSVVCWCCTUFZ-VVLHAWIVSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C[C@H](C)[NH+]1CCO ZINC000654738787 452870952 /nfs/dbraw/zinc/87/09/52/452870952.db2.gz RCPSVVCWCCTUFZ-VVLHAWIVSA-N 2 1 338.496 1.100 20 0 EDADMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000648167618 452879141 /nfs/dbraw/zinc/87/91/41/452879141.db2.gz DMJIXTVNLRLOLF-UHZRXMQZSA-N 2 1 339.483 1.965 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)CC(C)C ZINC000650612295 452884813 /nfs/dbraw/zinc/88/48/13/452884813.db2.gz LUAFLIQWPGQORH-DOTOQJQBSA-N 2 1 340.512 1.203 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)CC(C)C ZINC000650612295 452884820 /nfs/dbraw/zinc/88/48/20/452884820.db2.gz LUAFLIQWPGQORH-DOTOQJQBSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H](CNc1cc(N2CCOCC2)ncn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656211708 452963829 /nfs/dbraw/zinc/96/38/29/452963829.db2.gz XZYYKSLPAFRTNE-SOUVJXGZSA-N 2 1 335.452 1.223 20 0 EDADMP COc1ccc(OC)c(C[N@@H+](CCO)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662253673 452980397 /nfs/dbraw/zinc/98/03/97/452980397.db2.gz BJSUAKWQSSUPKQ-INIZCTEOSA-N 2 1 336.432 1.019 20 0 EDADMP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000662253632 452980868 /nfs/dbraw/zinc/98/08/68/452980868.db2.gz BBKSXXNCWNIEFM-XJKSGUPXSA-N 2 1 349.862 1.898 20 0 EDADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000662253632 452980874 /nfs/dbraw/zinc/98/08/74/452980874.db2.gz BBKSXXNCWNIEFM-XJKSGUPXSA-N 2 1 349.862 1.898 20 0 EDADMP O=C([C@@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2)N1CCOCC1 ZINC000662258172 452988896 /nfs/dbraw/zinc/98/88/96/452988896.db2.gz SIJFARZQESMSJK-IBGZPJMESA-N 2 1 343.471 1.546 20 0 EDADMP CCN(C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000664318889 452994263 /nfs/dbraw/zinc/99/42/63/452994263.db2.gz QKYJAZXZTTYXPS-QGZVFWFLSA-N 2 1 336.455 1.993 20 0 EDADMP CCN(C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CC[NH+](C)C1 ZINC000664318889 452994270 /nfs/dbraw/zinc/99/42/70/452994270.db2.gz QKYJAZXZTTYXPS-QGZVFWFLSA-N 2 1 336.455 1.993 20 0 EDADMP CCN(C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CC[NH+](C)C1 ZINC000664318889 452994280 /nfs/dbraw/zinc/99/42/80/452994280.db2.gz QKYJAZXZTTYXPS-QGZVFWFLSA-N 2 1 336.455 1.993 20 0 EDADMP CCOc1ccccc1C[N@@H+]1CCN(C[C@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000662281039 453003557 /nfs/dbraw/zinc/00/35/57/453003557.db2.gz RYQQYYJSYMIYGX-SJLPKXTDSA-N 2 1 333.476 1.580 20 0 EDADMP CCOc1ccccc1C[N@H+]1CCN(C[C@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000662281039 453003562 /nfs/dbraw/zinc/00/35/62/453003562.db2.gz RYQQYYJSYMIYGX-SJLPKXTDSA-N 2 1 333.476 1.580 20 0 EDADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1OC ZINC000666614137 453012105 /nfs/dbraw/zinc/01/21/05/453012105.db2.gz RHYJTTMSYKNRSL-HNNXBMFYSA-N 2 1 335.448 1.333 20 0 EDADMP O=C1[C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000662298949 453020198 /nfs/dbraw/zinc/02/01/98/453020198.db2.gz UCKQQBCLXZPJQZ-NXHRZFHOSA-N 2 1 341.455 1.493 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065577 453076932 /nfs/dbraw/zinc/07/69/32/453076932.db2.gz WBCUJKVBEZZHIK-RYQLBKOJSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065577 453076940 /nfs/dbraw/zinc/07/69/40/453076940.db2.gz WBCUJKVBEZZHIK-RYQLBKOJSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065422 453077382 /nfs/dbraw/zinc/07/73/82/453077382.db2.gz DHWRWTMGKTUBSY-XIRDDKMYSA-N 2 1 331.460 1.390 20 0 EDADMP C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065422 453077386 /nfs/dbraw/zinc/07/73/86/453077386.db2.gz DHWRWTMGKTUBSY-XIRDDKMYSA-N 2 1 331.460 1.390 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644160229 453091691 /nfs/dbraw/zinc/09/16/91/453091691.db2.gz VBAFQTLWNLCWTP-BMFZPTHFSA-N 2 1 337.414 1.868 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662387708 453096601 /nfs/dbraw/zinc/09/66/01/453096601.db2.gz HPVBLQWZRSZZQL-GJZGRUSLSA-N 2 1 333.480 1.729 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000662397573 453108041 /nfs/dbraw/zinc/10/80/41/453108041.db2.gz HDHOGXPBXKSIHX-KRWDZBQOSA-N 2 1 325.497 1.853 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000646105888 453110306 /nfs/dbraw/zinc/11/03/06/453110306.db2.gz KPZGHLBLFJJEGT-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000646159912 453171279 /nfs/dbraw/zinc/17/12/79/453171279.db2.gz NBNMIFHJVDXGPM-FZKCQIBNSA-N 2 1 349.479 1.659 20 0 EDADMP C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662472862 453183933 /nfs/dbraw/zinc/18/39/33/453183933.db2.gz WBCUJKVBEZZHIK-NXHRZFHOSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662472862 453183941 /nfs/dbraw/zinc/18/39/41/453183941.db2.gz WBCUJKVBEZZHIK-NXHRZFHOSA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000662475761 453189632 /nfs/dbraw/zinc/18/96/32/453189632.db2.gz OSAKSRQJZQWVID-IAGOWNOFSA-N 2 1 346.475 1.789 20 0 EDADMP CN(CCC[NH3+])Cc1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468346 453205322 /nfs/dbraw/zinc/20/53/22/453205322.db2.gz LMFUKUGVJUTDQG-GOSISDBHSA-N 2 1 342.491 1.581 20 0 EDADMP CN(Cc1cnc[nH]1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000664576336 453211594 /nfs/dbraw/zinc/21/15/94/453211594.db2.gz GUZUXJIXDVZHGA-UHFFFAOYSA-N 2 1 328.420 1.863 20 0 EDADMP CC1([NH3+])CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000666906502 453229918 /nfs/dbraw/zinc/22/99/18/453229918.db2.gz NWOHEMGYQDDCRB-UHFFFAOYSA-N 2 1 346.475 1.906 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC[N@H+]1C ZINC000648753971 453234802 /nfs/dbraw/zinc/23/48/02/453234802.db2.gz PXGHIVXHLXOORV-CZUORRHYSA-N 2 1 332.448 1.856 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)c1cccc(Cl)c1Cl ZINC000662570237 453297024 /nfs/dbraw/zinc/29/70/24/453297024.db2.gz JBDWXOYWCXLHJK-HZMBPMFUSA-N 2 1 346.258 1.749 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000662589673 453317686 /nfs/dbraw/zinc/31/76/86/453317686.db2.gz CHDCXLPHIKKGBM-GOEBONIOSA-N 2 1 333.480 1.658 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2CCC[C@H]2CO)CC[N@H+]1C ZINC000648857573 453335356 /nfs/dbraw/zinc/33/53/56/453335356.db2.gz FZLBTYGMDWMYMC-AYOQOUSVSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC[NH+]1C ZINC000648857573 453335361 /nfs/dbraw/zinc/33/53/61/453335361.db2.gz FZLBTYGMDWMYMC-AYOQOUSVSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CC[NH+]1C ZINC000648857573 453335363 /nfs/dbraw/zinc/33/53/63/453335363.db2.gz FZLBTYGMDWMYMC-AYOQOUSVSA-N 2 1 345.487 1.600 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000651193316 453343292 /nfs/dbraw/zinc/34/32/92/453343292.db2.gz SCTNLZNWTNCGIH-KRWDZBQOSA-N 2 1 340.512 1.328 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000655245791 453368885 /nfs/dbraw/zinc/36/88/85/453368885.db2.gz WKETXWJPLASIQE-HHXXYDBFSA-N 2 1 345.487 1.641 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000662669320 453381890 /nfs/dbraw/zinc/38/18/90/453381890.db2.gz WYFCKZVGNPBPRI-ZIAGYGMSSA-N 2 1 331.464 1.623 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000662687625 453408940 /nfs/dbraw/zinc/40/89/40/453408940.db2.gz HPLJMKRJXWCEDO-ZNMIVQPWSA-N 2 1 349.479 1.106 20 0 EDADMP [NH3+]CC1(CCNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000653221154 453409866 /nfs/dbraw/zinc/40/98/66/453409866.db2.gz KNTOVISKIJRIGC-KRWDZBQOSA-N 2 1 331.460 1.523 20 0 EDADMP [NH3+]CC1(CCNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000653221154 453409874 /nfs/dbraw/zinc/40/98/74/453409874.db2.gz KNTOVISKIJRIGC-KRWDZBQOSA-N 2 1 331.460 1.523 20 0 EDADMP O=C([C@@H]1CCCC[NH+]1Cc1ccccc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298025 453419965 /nfs/dbraw/zinc/41/99/65/453419965.db2.gz ZUEHUNOSIOMOKF-OTWHNJEPSA-N 2 1 343.471 1.319 20 0 EDADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655298025 453419976 /nfs/dbraw/zinc/41/99/76/453419976.db2.gz ZUEHUNOSIOMOKF-OTWHNJEPSA-N 2 1 343.471 1.319 20 0 EDADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655298025 453419983 /nfs/dbraw/zinc/41/99/83/453419983.db2.gz ZUEHUNOSIOMOKF-OTWHNJEPSA-N 2 1 343.471 1.319 20 0 EDADMP CCO[C@@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000653247776 453431319 /nfs/dbraw/zinc/43/13/19/453431319.db2.gz QWMWYOFVQAXHOQ-BMFZPTHFSA-N 2 1 339.867 1.765 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662711930 453435914 /nfs/dbraw/zinc/43/59/14/453435914.db2.gz CVOGVBXFWGPDHU-QZTJIDSGSA-N 2 1 345.487 1.769 20 0 EDADMP c1c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nnn1Cc1cccnc1 ZINC000656782971 453445257 /nfs/dbraw/zinc/44/52/57/453445257.db2.gz KLLCYJMXJVSQHB-GOSISDBHSA-N 2 1 340.475 1.933 20 0 EDADMP c1c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)nnn1Cc1cccnc1 ZINC000656786402 453448033 /nfs/dbraw/zinc/44/80/33/453448033.db2.gz MFDGDUQKXTZXGK-SFHVURJKSA-N 2 1 340.475 1.933 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000662740788 453466011 /nfs/dbraw/zinc/46/60/11/453466011.db2.gz BXTNNGVEAZVMKW-MJGOQNOKSA-N 2 1 344.503 1.309 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000662740788 453466022 /nfs/dbraw/zinc/46/60/22/453466022.db2.gz BXTNNGVEAZVMKW-MJGOQNOKSA-N 2 1 344.503 1.309 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000662740650 453466975 /nfs/dbraw/zinc/46/69/75/453466975.db2.gz AKGZDBQZWQXNDZ-ROUUACIJSA-N 2 1 330.476 1.061 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000662740650 453466978 /nfs/dbraw/zinc/46/69/78/453466978.db2.gz AKGZDBQZWQXNDZ-ROUUACIJSA-N 2 1 330.476 1.061 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662749405 453480421 /nfs/dbraw/zinc/48/04/21/453480421.db2.gz LJIZQHNDYXDBPP-LSDHHAIUSA-N 2 1 334.468 1.007 20 0 EDADMP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662776787 453511954 /nfs/dbraw/zinc/51/19/54/453511954.db2.gz NZGCZCBRJYIFEQ-NSHDSACASA-N 2 1 329.379 1.524 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662792935 453527003 /nfs/dbraw/zinc/52/70/03/453527003.db2.gz ZLVQVUALSRBGLM-KRWDZBQOSA-N 2 1 334.508 1.290 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662797145 453531556 /nfs/dbraw/zinc/53/15/56/453531556.db2.gz WHEOHROCDUNAAZ-UHFFFAOYSA-N 2 1 345.487 1.763 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000665043613 453550739 /nfs/dbraw/zinc/55/07/39/453550739.db2.gz CZZWYYMNJXNMPB-NPYXIHBLSA-N 2 1 338.496 1.364 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000660734167 453553763 /nfs/dbraw/zinc/55/37/63/453553763.db2.gz HZEYQJSTGDDOIA-GOSISDBHSA-N 2 1 344.503 1.869 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000667326871 453558954 /nfs/dbraw/zinc/55/89/54/453558954.db2.gz DHUURXYGFAVGSW-ROUUACIJSA-N 2 1 330.476 1.854 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000667331005 453564493 /nfs/dbraw/zinc/56/44/93/453564493.db2.gz RTPFFMAKMRAFLB-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NCCc2cn3cccc(C)c3n2)C1 ZINC000660788465 453574902 /nfs/dbraw/zinc/57/49/02/453574902.db2.gz JQRAGYOXPHTMHS-MRXNPFEDSA-N 2 1 329.448 1.969 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[NH+]1CCSCC1 ZINC000660823347 453588765 /nfs/dbraw/zinc/58/87/65/453588765.db2.gz FGVYGLRRIUCNIU-HNNXBMFYSA-N 2 1 328.526 1.455 20 0 EDADMP CN(C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899454 453593374 /nfs/dbraw/zinc/59/33/74/453593374.db2.gz DCXXFSOKJOQXDR-OKZBNKHCSA-N 2 1 334.508 1.144 20 0 EDADMP CN(C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899454 453593377 /nfs/dbraw/zinc/59/33/77/453593377.db2.gz DCXXFSOKJOQXDR-OKZBNKHCSA-N 2 1 334.508 1.144 20 0 EDADMP CC[N@@H+](CCCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C1CCCCC1 ZINC000665219084 453611510 /nfs/dbraw/zinc/61/15/10/453611510.db2.gz LBJQXSGGGRTKDU-IRXDYDNUSA-N 2 1 340.512 1.347 20 0 EDADMP O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000665242682 453622033 /nfs/dbraw/zinc/62/20/33/453622033.db2.gz GYCZXCYCDUJSRN-KKUMJFAQSA-N 2 1 327.428 1.935 20 0 EDADMP Cc1cnc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000665256040 453626950 /nfs/dbraw/zinc/62/69/50/453626950.db2.gz MORACKJUOSJONC-KRWDZBQOSA-N 2 1 349.523 1.812 20 0 EDADMP Cc1cnc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000665256040 453626955 /nfs/dbraw/zinc/62/69/55/453626955.db2.gz MORACKJUOSJONC-KRWDZBQOSA-N 2 1 349.523 1.812 20 0 EDADMP C[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665292960 453639184 /nfs/dbraw/zinc/63/91/84/453639184.db2.gz NMTGGQTUYTYAGY-GDBMZVCRSA-N 2 1 341.459 1.641 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000659248047 453684293 /nfs/dbraw/zinc/68/42/93/453684293.db2.gz SBKCGMKMAUOHQF-ROUUACIJSA-N 2 1 333.476 1.862 20 0 EDADMP CC(C)[C@@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[NH+]1CCOCC1 ZINC000659286387 453702063 /nfs/dbraw/zinc/70/20/63/453702063.db2.gz DYQXYRMLRSCSSE-QZTJIDSGSA-N 2 1 331.460 1.694 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]C1)c1sc2c(c1Br)C[NH2+]C2 ZINC000659291874 453705008 /nfs/dbraw/zinc/70/50/08/453705008.db2.gz AFMYHNWMDMLASK-QMMMGPOBSA-N 2 1 344.278 1.843 20 0 EDADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659309727 453710671 /nfs/dbraw/zinc/71/06/71/453710671.db2.gz NIBQUNQDGUUQIH-CVEARBPZSA-N 2 1 325.416 1.128 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659318897 453714523 /nfs/dbraw/zinc/71/45/23/453714523.db2.gz GWKUJUNXDNOGJZ-NXHRZFHOSA-N 2 1 333.476 1.766 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C2CCC2)CC1 ZINC000661153540 453737358 /nfs/dbraw/zinc/73/73/58/453737358.db2.gz IRMSTQWKYHHDEU-QFBILLFUSA-N 2 1 345.487 1.642 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000665555898 453747576 /nfs/dbraw/zinc/74/75/76/453747576.db2.gz MWWWIOGIPKDUBR-JKSUJKDBSA-N 2 1 338.496 1.223 20 0 EDADMP CC[NH+](CC)CCNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000663401397 453790086 /nfs/dbraw/zinc/79/00/86/453790086.db2.gz NALZQWOLBJFSJL-GOSISDBHSA-N 2 1 348.491 1.394 20 0 EDADMP Cc1nc(N2CCOCC2)ccc1NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000676270288 486717731 /nfs/dbraw/zinc/71/77/31/486717731.db2.gz OFKGIBUNAWCHFT-AWEZNQCLSA-N 2 1 333.436 1.442 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nnc(C)s1 ZINC000680497437 486791904 /nfs/dbraw/zinc/79/19/04/486791904.db2.gz FAZVXEJNKKVIGW-CYBMUJFWSA-N 2 1 325.482 1.335 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000680579195 486817369 /nfs/dbraw/zinc/81/73/69/486817369.db2.gz XANYXJZWDTXJCH-OAHLLOKOSA-N 2 1 332.448 1.475 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000680579195 486817376 /nfs/dbraw/zinc/81/73/76/486817376.db2.gz XANYXJZWDTXJCH-OAHLLOKOSA-N 2 1 332.448 1.475 20 0 EDADMP C[N@H+]1CC[C@](O)(CNCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000680815545 486859060 /nfs/dbraw/zinc/85/90/60/486859060.db2.gz SMWCZAAUFJYYKV-IBGZPJMESA-N 2 1 333.476 1.317 20 0 EDADMP CN1CC[C@](O)(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000680815545 486859065 /nfs/dbraw/zinc/85/90/65/486859065.db2.gz SMWCZAAUFJYYKV-IBGZPJMESA-N 2 1 333.476 1.317 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000680815545 486859070 /nfs/dbraw/zinc/85/90/70/486859070.db2.gz SMWCZAAUFJYYKV-IBGZPJMESA-N 3 1 333.476 1.317 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000680815545 486859075 /nfs/dbraw/zinc/85/90/75/486859075.db2.gz SMWCZAAUFJYYKV-IBGZPJMESA-N 3 1 333.476 1.317 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000683909774 486862659 /nfs/dbraw/zinc/86/26/59/486862659.db2.gz DGTOPCQYUZAGLE-JXFKEZNVSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000683909774 486862665 /nfs/dbraw/zinc/86/26/65/486862665.db2.gz DGTOPCQYUZAGLE-JXFKEZNVSA-N 2 1 345.487 1.348 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000683943667 486875362 /nfs/dbraw/zinc/87/53/62/486875362.db2.gz IJYMSXYZKOINQT-INIZCTEOSA-N 2 1 337.489 1.511 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000676802517 486882728 /nfs/dbraw/zinc/88/27/28/486882728.db2.gz HQSRYLACWASWHQ-LSDHHAIUSA-N 2 1 329.510 1.265 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000676802517 486882735 /nfs/dbraw/zinc/88/27/35/486882735.db2.gz HQSRYLACWASWHQ-LSDHHAIUSA-N 2 1 329.510 1.265 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000676802517 486882741 /nfs/dbraw/zinc/88/27/41/486882741.db2.gz HQSRYLACWASWHQ-LSDHHAIUSA-N 2 1 329.510 1.265 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000676802517 486882749 /nfs/dbraw/zinc/88/27/49/486882749.db2.gz HQSRYLACWASWHQ-LSDHHAIUSA-N 2 1 329.510 1.265 20 0 EDADMP O=C(NCc1c[nH+]c2n1CCCC2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000673082803 486902930 /nfs/dbraw/zinc/90/29/30/486902930.db2.gz AWOUFNNQJKVJCJ-HNNXBMFYSA-N 2 1 331.464 1.989 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1 ZINC000684199320 486981981 /nfs/dbraw/zinc/98/19/81/486981981.db2.gz NLYOXIRKDDASNB-DLBZAZTESA-N 2 1 332.496 1.027 20 0 EDADMP CC[NH+]1CCN(c2cc(N3CC[N@H+](CC)[C@H](C)C3)nc(C)n2)C[C@H]1C ZINC000677152474 486986099 /nfs/dbraw/zinc/98/60/99/486986099.db2.gz CWSGSAXKWMPINV-HZPDHXFCSA-N 2 1 346.523 1.846 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000684257036 487003824 /nfs/dbraw/zinc/00/38/24/487003824.db2.gz SZMRQPUDGSIRRX-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000684257036 487003830 /nfs/dbraw/zinc/00/38/30/487003830.db2.gz SZMRQPUDGSIRRX-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000684257036 487003837 /nfs/dbraw/zinc/00/38/37/487003837.db2.gz SZMRQPUDGSIRRX-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP CN(C)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000677322313 487044700 /nfs/dbraw/zinc/04/47/00/487044700.db2.gz ODFXYNJMPZYBDH-HXUWFJFHSA-N 2 1 340.471 1.874 20 0 EDADMP CN(C)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000677322313 487044706 /nfs/dbraw/zinc/04/47/06/487044706.db2.gz ODFXYNJMPZYBDH-HXUWFJFHSA-N 2 1 340.471 1.874 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000673650400 487076339 /nfs/dbraw/zinc/07/63/39/487076339.db2.gz QFKZATSHQYOSNX-SFHVURJKSA-N 2 1 337.508 1.820 20 0 EDADMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000673810561 487119335 /nfs/dbraw/zinc/11/93/35/487119335.db2.gz UTBUEZFHQRSPGW-AWEZNQCLSA-N 2 1 326.404 1.873 20 0 EDADMP Cn1cc(CCC[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cn1 ZINC000681711538 487139375 /nfs/dbraw/zinc/13/93/75/487139375.db2.gz MDCIVDXHDSVYMG-FQEVSTJZSA-N 2 1 342.487 1.922 20 0 EDADMP Cn1cc(CCC[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cn1 ZINC000681711538 487139381 /nfs/dbraw/zinc/13/93/81/487139381.db2.gz MDCIVDXHDSVYMG-FQEVSTJZSA-N 2 1 342.487 1.922 20 0 EDADMP Cn1cc(CCC[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000681711538 487139385 /nfs/dbraw/zinc/13/93/85/487139385.db2.gz MDCIVDXHDSVYMG-FQEVSTJZSA-N 2 1 342.487 1.922 20 0 EDADMP Cn1cc(CCC[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000681711538 487139389 /nfs/dbraw/zinc/13/93/89/487139389.db2.gz MDCIVDXHDSVYMG-FQEVSTJZSA-N 2 1 342.487 1.922 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCSC1 ZINC000673979702 487175634 /nfs/dbraw/zinc/17/56/34/487175634.db2.gz IXXFCEMCDMCVJT-HOCLYGCPSA-N 2 1 326.510 1.207 20 0 EDADMP NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000685474826 487281391 /nfs/dbraw/zinc/28/13/91/487281391.db2.gz LYUPINHBZSTRQB-KRWDZBQOSA-N 2 1 331.460 1.859 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1-n1cncn1 ZINC000678338477 487291823 /nfs/dbraw/zinc/29/18/23/487291823.db2.gz AWWNFAJJKVABIW-NZSAHSFTSA-N 2 1 341.459 1.951 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000675191629 487387071 /nfs/dbraw/zinc/38/70/71/487387071.db2.gz TWZBAIWXBJQZLN-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP CSc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cnn1C ZINC000682900801 487428134 /nfs/dbraw/zinc/42/81/34/487428134.db2.gz YAESVEFJHDJABG-GFCCVEGCSA-N 2 1 337.493 1.040 20 0 EDADMP CSc1c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cnn1C ZINC000682900801 487428136 /nfs/dbraw/zinc/42/81/36/487428136.db2.gz YAESVEFJHDJABG-GFCCVEGCSA-N 2 1 337.493 1.040 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[NH2+]C1CC1 ZINC000669518561 485484316 /nfs/dbraw/zinc/48/43/16/485484316.db2.gz XLNBSZUIBMKRKU-QAPCUYQASA-N 2 1 330.476 1.948 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000668963000 485499310 /nfs/dbraw/zinc/49/93/10/485499310.db2.gz MSPRHPCNVCKBKV-RBSFLKMASA-N 2 1 326.485 1.316 20 0 EDADMP C[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538209 485518903 /nfs/dbraw/zinc/51/89/03/485518903.db2.gz DPPNYPTZESCVBN-WBVHZDCISA-N 2 1 334.464 1.266 20 0 EDADMP C[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538209 485518908 /nfs/dbraw/zinc/51/89/08/485518908.db2.gz DPPNYPTZESCVBN-WBVHZDCISA-N 2 1 334.464 1.266 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669288056 485523126 /nfs/dbraw/zinc/52/31/26/485523126.db2.gz OTQWXMWFHPBXOF-SJLPKXTDSA-N 2 1 328.460 1.438 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nnc(C)s1 ZINC000680497442 485533336 /nfs/dbraw/zinc/53/33/36/485533336.db2.gz FAZVXEJNKKVIGW-ZDUSSCGKSA-N 2 1 325.482 1.335 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)C[C@H]1Cc1ccccc1 ZINC000353434387 485656130 /nfs/dbraw/zinc/65/61/30/485656130.db2.gz DHLGBFUBOOHPNN-PKOBYXMFSA-N 2 1 342.487 1.791 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)C[C@H]1Cc1ccccc1 ZINC000353434387 485656138 /nfs/dbraw/zinc/65/61/38/485656138.db2.gz DHLGBFUBOOHPNN-PKOBYXMFSA-N 2 1 342.487 1.791 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1Cc1ccccc1 ZINC000353434387 485656144 /nfs/dbraw/zinc/65/61/44/485656144.db2.gz DHLGBFUBOOHPNN-PKOBYXMFSA-N 2 1 342.487 1.791 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1Cc1ccccc1 ZINC000353434387 485656151 /nfs/dbraw/zinc/65/61/51/485656151.db2.gz DHLGBFUBOOHPNN-PKOBYXMFSA-N 2 1 342.487 1.791 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000669184426 485785110 /nfs/dbraw/zinc/78/51/10/485785110.db2.gz ZAPATGBPVPOPGX-MRXNPFEDSA-N 2 1 340.512 1.212 20 0 EDADMP FC(F)Cn1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cn1 ZINC000366396408 485911620 /nfs/dbraw/zinc/91/16/20/485911620.db2.gz AJXVOGVKSDWAHY-ZDUSSCGKSA-N 2 1 328.407 1.739 20 0 EDADMP CCC(CC)(C[NH3+])C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000236646343 485930643 /nfs/dbraw/zinc/93/06/43/485930643.db2.gz ZDYWBGHVHQHDQH-CALCHBBNSA-N 2 1 338.540 1.769 20 0 EDADMP CN(C(=O)Cc1cc(C2CC2)no1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668618698 485960422 /nfs/dbraw/zinc/96/04/22/485960422.db2.gz SYZDGZAIXDXHRB-MRXNPFEDSA-N 2 1 346.475 1.721 20 0 EDADMP O[C@H]1CC[N@H+](C2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)C1 ZINC000668738150 486107399 /nfs/dbraw/zinc/10/73/99/486107399.db2.gz AYPNJENIUJFGOT-SFHVURJKSA-N 2 1 327.432 1.298 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH2+]CC1 ZINC000669420565 486141314 /nfs/dbraw/zinc/14/13/14/486141314.db2.gz QFPXXTGGAMBRGJ-SFHVURJKSA-N 2 1 330.476 1.904 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000669473266 486226952 /nfs/dbraw/zinc/22/69/52/486226952.db2.gz ILLRBCZBNXWMDZ-DLBZAZTESA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000659471216 486628678 /nfs/dbraw/zinc/62/86/78/486628678.db2.gz QSYDEVVKLBGSQL-HPBDAGMYSA-N 2 1 346.475 1.150 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659471216 486628680 /nfs/dbraw/zinc/62/86/80/486628680.db2.gz QSYDEVVKLBGSQL-HPBDAGMYSA-N 2 1 346.475 1.150 20 0 EDADMP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000133016064 491218987 /nfs/dbraw/zinc/21/89/87/491218987.db2.gz WSLFKAPDLXMIMI-JSGCOSHPSA-N 2 1 326.485 1.314 20 0 EDADMP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133016064 491218988 /nfs/dbraw/zinc/21/89/88/491218988.db2.gz WSLFKAPDLXMIMI-JSGCOSHPSA-N 2 1 326.485 1.314 20 0 EDADMP C[C@@H](NC(=O)NCC[NH2+]C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494803 490998676 /nfs/dbraw/zinc/99/86/76/490998676.db2.gz MRKXCRDUWSUAIK-QAPCUYQASA-N 2 1 346.475 1.327 20 0 EDADMP C[C@@H](NC(=O)NCC[NH2+]C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494803 490998677 /nfs/dbraw/zinc/99/86/77/490998677.db2.gz MRKXCRDUWSUAIK-QAPCUYQASA-N 2 1 346.475 1.327 20 0 EDADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000125067631 491007044 /nfs/dbraw/zinc/00/70/44/491007044.db2.gz UAGDODIGYDEVAT-UHFFFAOYSA-N 2 1 340.435 1.150 20 0 EDADMP CC(=O)N1CCN(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340181642 534793406 /nfs/dbraw/zinc/79/34/06/534793406.db2.gz VXMIWDVDISFZIR-WOJBJXKFSA-N 2 1 344.503 1.576 20 0 EDADMP CC(=O)N1CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340181642 534793410 /nfs/dbraw/zinc/79/34/10/534793410.db2.gz VXMIWDVDISFZIR-WOJBJXKFSA-N 2 1 344.503 1.576 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245471691 536439888 /nfs/dbraw/zinc/43/98/88/536439888.db2.gz XYXXKPULUQLKBX-IPQPSQTFSA-N 2 1 343.471 1.629 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245471691 536439889 /nfs/dbraw/zinc/43/98/89/536439889.db2.gz XYXXKPULUQLKBX-IPQPSQTFSA-N 2 1 343.471 1.629 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245471691 536439891 /nfs/dbraw/zinc/43/98/91/536439891.db2.gz XYXXKPULUQLKBX-IPQPSQTFSA-N 2 1 343.471 1.629 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245471691 536439892 /nfs/dbraw/zinc/43/98/92/536439892.db2.gz XYXXKPULUQLKBX-IPQPSQTFSA-N 2 1 343.471 1.629 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000174184459 527958525 /nfs/dbraw/zinc/95/85/25/527958525.db2.gz CCXJDNMNHBFCSY-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000247091058 534957661 /nfs/dbraw/zinc/95/76/61/534957661.db2.gz PKQYDIXQEWPQOC-HUUCEWRRSA-N 2 1 339.505 1.977 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000248543317 535116659 /nfs/dbraw/zinc/11/66/59/535116659.db2.gz CZEXFJJYHZPLSJ-XMTFNYHQSA-N 2 1 339.524 1.874 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262286579 535128276 /nfs/dbraw/zinc/12/82/76/535128276.db2.gz OHHJUKNXEVBINJ-INIZCTEOSA-N 2 1 333.480 1.056 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123684572 535274803 /nfs/dbraw/zinc/27/48/03/535274803.db2.gz AFYJISOSQVRMGW-UONOGXRCSA-N 2 1 335.452 1.297 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123684572 535274807 /nfs/dbraw/zinc/27/48/07/535274807.db2.gz AFYJISOSQVRMGW-UONOGXRCSA-N 2 1 335.452 1.297 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004549 535542388 /nfs/dbraw/zinc/54/23/88/535542388.db2.gz FSPXDXYWTIQNGH-JKSUJKDBSA-N 2 1 336.480 1.606 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004549 535542396 /nfs/dbraw/zinc/54/23/96/535542396.db2.gz FSPXDXYWTIQNGH-JKSUJKDBSA-N 2 1 336.480 1.606 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246888492 535567185 /nfs/dbraw/zinc/56/71/85/535567185.db2.gz BYFZPSOPZNBFSN-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246888492 535567193 /nfs/dbraw/zinc/56/71/93/535567193.db2.gz BYFZPSOPZNBFSN-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246888492 535567196 /nfs/dbraw/zinc/56/71/96/535567196.db2.gz BYFZPSOPZNBFSN-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246888492 535567204 /nfs/dbraw/zinc/56/72/04/535567204.db2.gz BYFZPSOPZNBFSN-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cc(=O)[nH]1 ZINC000339655894 535595026 /nfs/dbraw/zinc/59/50/26/535595026.db2.gz VGLMFEINZWPEON-HNNXBMFYSA-N 2 1 334.464 1.584 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000262679123 535689765 /nfs/dbraw/zinc/68/97/65/535689765.db2.gz SDLPPMFWOIHEGI-UHFFFAOYSA-N 2 1 338.540 1.820 20 0 EDADMP CN(C(=O)C[C@H]1COCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262330432 536006474 /nfs/dbraw/zinc/00/64/74/536006474.db2.gz GQCLLJFRNOMIPC-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000332279123 536020076 /nfs/dbraw/zinc/02/00/76/536020076.db2.gz QYYCRZFINYVRIP-SJORKVTESA-N 2 1 337.489 1.653 20 0 EDADMP CC[C@@]1(C)CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000075998953 536037526 /nfs/dbraw/zinc/03/75/26/536037526.db2.gz WEJPJKLKERFRGX-MJGOQNOKSA-N 2 1 339.524 1.972 20 0 EDADMP CC[C@@]1(C)CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000075998953 536037533 /nfs/dbraw/zinc/03/75/33/536037533.db2.gz WEJPJKLKERFRGX-MJGOQNOKSA-N 2 1 339.524 1.972 20 0 EDADMP CC[C@@]1(C)CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000075998953 536037538 /nfs/dbraw/zinc/03/75/38/536037538.db2.gz WEJPJKLKERFRGX-MJGOQNOKSA-N 2 1 339.524 1.972 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000109755373 536354918 /nfs/dbraw/zinc/35/49/18/536354918.db2.gz FIUIXRGFAMSVRJ-GOSISDBHSA-N 2 1 336.524 1.537 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[C@@H](C[NH+]4CCCC4)C3)cn2)CC1 ZINC000093597798 536425778 /nfs/dbraw/zinc/42/57/78/536425778.db2.gz VYLHGOHSNFUICH-KRWDZBQOSA-N 2 1 344.507 1.146 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+](CC(C)C)CC2)[N@@H+](C)C1 ZINC000346356650 536778051 /nfs/dbraw/zinc/77/80/51/536778051.db2.gz WACHTIJLWBHQFO-IRXDYDNUSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCC2CC[NH+](C3CC3)CC2)[N@@H+](C)C1 ZINC000348032866 536778581 /nfs/dbraw/zinc/77/85/81/536778581.db2.gz PHIDPNMKDONNGL-IRXDYDNUSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000726070603 578331884 /nfs/dbraw/zinc/33/18/84/578331884.db2.gz CXEMVTHYADLWBF-CABCVRRESA-N 2 1 327.469 1.290 20 0 EDADMP CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000726070603 578331885 /nfs/dbraw/zinc/33/18/85/578331885.db2.gz CXEMVTHYADLWBF-CABCVRRESA-N 2 1 327.469 1.290 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)NC2CCOCC2)CC1 ZINC000727783092 578538631 /nfs/dbraw/zinc/53/86/31/578538631.db2.gz WTWVJMCFNLHUJS-UHFFFAOYSA-N 2 1 335.477 1.299 20 0 EDADMP C[C@@H]1CN(C[C@H]2CN(C)CCO2)CC[N@H+]1CC1(O)CCCCC1 ZINC000729930959 578602969 /nfs/dbraw/zinc/60/29/69/578602969.db2.gz SMSROMOIDMCGBZ-IAGOWNOFSA-N 2 1 325.497 1.018 20 0 EDADMP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CC1(O)CCCCC1 ZINC000729930959 578602972 /nfs/dbraw/zinc/60/29/72/578602972.db2.gz SMSROMOIDMCGBZ-IAGOWNOFSA-N 2 1 325.497 1.018 20 0 EDADMP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CC1(O)CCCCC1 ZINC000729930959 578602974 /nfs/dbraw/zinc/60/29/74/578602974.db2.gz SMSROMOIDMCGBZ-IAGOWNOFSA-N 2 1 325.497 1.018 20 0 EDADMP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CC1(O)CCCCC1 ZINC000729930959 578602976 /nfs/dbraw/zinc/60/29/76/578602976.db2.gz SMSROMOIDMCGBZ-IAGOWNOFSA-N 2 1 325.497 1.018 20 0 EDADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000732289207 578703372 /nfs/dbraw/zinc/70/33/72/578703372.db2.gz MPTSQLLFESTLBD-IRXDYDNUSA-N 2 1 325.497 1.556 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000732289207 578703373 /nfs/dbraw/zinc/70/33/73/578703373.db2.gz MPTSQLLFESTLBD-IRXDYDNUSA-N 2 1 325.497 1.556 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000735282259 578873998 /nfs/dbraw/zinc/87/39/98/578873998.db2.gz INKTUHAULCVKLE-KBAYOESNSA-N 2 1 331.460 1.204 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000735282259 578874000 /nfs/dbraw/zinc/87/40/00/578874000.db2.gz INKTUHAULCVKLE-KBAYOESNSA-N 2 1 331.460 1.204 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1C[C@@H](O)c1ccccc1 ZINC000735282259 578874001 /nfs/dbraw/zinc/87/40/01/578874001.db2.gz INKTUHAULCVKLE-KBAYOESNSA-N 2 1 331.460 1.204 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C[C@@H](O)c1ccccc1 ZINC000735282259 578874004 /nfs/dbraw/zinc/87/40/04/578874004.db2.gz INKTUHAULCVKLE-KBAYOESNSA-N 2 1 331.460 1.204 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000735327191 578876366 /nfs/dbraw/zinc/87/63/66/578876366.db2.gz NPJNJAMCDXDWFJ-VQHPVUNQSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000735327191 578876368 /nfs/dbraw/zinc/87/63/68/578876368.db2.gz NPJNJAMCDXDWFJ-VQHPVUNQSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000735327191 578876369 /nfs/dbraw/zinc/87/63/69/578876369.db2.gz NPJNJAMCDXDWFJ-VQHPVUNQSA-N 2 1 336.480 1.118 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC1 ZINC000738074962 579157417 /nfs/dbraw/zinc/15/74/17/579157417.db2.gz AMISTKLPDPWAIN-QGZVFWFLSA-N 2 1 344.459 1.381 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C(=O)NC(C3CC3)(C3CC3)C2=O)CC1 ZINC000738077775 579157540 /nfs/dbraw/zinc/15/75/40/579157540.db2.gz WUQBLXSNSPQLJN-UHFFFAOYSA-N 2 1 334.464 1.328 20 0 EDADMP C[NH+]1CCC2(CCN2C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000748324931 579679591 /nfs/dbraw/zinc/67/95/91/579679591.db2.gz UTRNOZQZWDQXKK-SFHVURJKSA-N 2 1 342.487 1.990 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000749825116 579741100 /nfs/dbraw/zinc/74/11/00/579741100.db2.gz CSUOFMKASSSGJJ-HUUCEWRRSA-N 2 1 328.526 1.046 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000750287175 579758321 /nfs/dbraw/zinc/75/83/21/579758321.db2.gz AFAXKMBLUSOBNT-JKSUJKDBSA-N 2 1 341.496 1.680 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000750287175 579758322 /nfs/dbraw/zinc/75/83/22/579758322.db2.gz AFAXKMBLUSOBNT-JKSUJKDBSA-N 2 1 341.496 1.680 20 0 EDADMP COC(=O)Cc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000752017741 579833927 /nfs/dbraw/zinc/83/39/27/579833927.db2.gz GAKWXABMEGNLGT-LJQANCHMSA-N 2 1 345.487 1.614 20 0 EDADMP COC(=O)Cc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000752017741 579833929 /nfs/dbraw/zinc/83/39/29/579833929.db2.gz GAKWXABMEGNLGT-LJQANCHMSA-N 2 1 345.487 1.614 20 0 EDADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)CCO2 ZINC000765797264 580151638 /nfs/dbraw/zinc/15/16/38/580151638.db2.gz NUUQSCVVHMPSDP-RHSMWYFYSA-N 2 1 331.460 1.860 20 0 EDADMP C[NH+](C)CCCC1CC[NH+](CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000766381385 580165785 /nfs/dbraw/zinc/16/57/85/580165785.db2.gz MGZKZWBQMLPDCZ-GOSISDBHSA-N 2 1 336.480 1.718 20 0 EDADMP COC(=O)COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000767873463 580202530 /nfs/dbraw/zinc/20/25/30/580202530.db2.gz CHCTVXDYBCFDKO-HOCLYGCPSA-N 2 1 336.432 1.346 20 0 EDADMP C[C@H](CNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000769106570 580228692 /nfs/dbraw/zinc/22/86/92/580228692.db2.gz BMZMZJYIJAEVBB-CYBMUJFWSA-N 2 1 342.484 1.042 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000772902834 580323071 /nfs/dbraw/zinc/32/30/71/580323071.db2.gz CJWPRNSVZCNPAO-UHFFFAOYSA-N 2 1 332.448 1.137 20 0 EDADMP C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000776637871 580425077 /nfs/dbraw/zinc/42/50/77/580425077.db2.gz HDHISAPHJCSIAO-VTGFLYEISA-N 2 1 343.471 1.993 20 0 EDADMP CCC[N@@H+](CCO)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000778566793 580467577 /nfs/dbraw/zinc/46/75/77/580467577.db2.gz RRWDFLCDEQTRTN-UHFFFAOYSA-N 2 1 348.491 1.471 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2nc(C(C)(C)C)no2)C1 ZINC000779650823 580492917 /nfs/dbraw/zinc/49/29/17/580492917.db2.gz APOOFQXBAZCQHO-NSHDSACASA-N 2 1 325.413 1.475 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2nc(C(C)(C)C)no2)C1 ZINC000779650823 580492918 /nfs/dbraw/zinc/49/29/18/580492918.db2.gz APOOFQXBAZCQHO-NSHDSACASA-N 2 1 325.413 1.475 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786801487 580679660 /nfs/dbraw/zinc/67/96/60/580679660.db2.gz RJCSPYNVEAOEEA-YOEHRIQHSA-N 2 1 332.448 1.324 20 0 EDADMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000788769818 580729378 /nfs/dbraw/zinc/72/93/78/580729378.db2.gz GAJNTZUKNHNNTE-GOSISDBHSA-N 2 1 343.471 1.835 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000788769818 580729379 /nfs/dbraw/zinc/72/93/79/580729379.db2.gz GAJNTZUKNHNNTE-GOSISDBHSA-N 2 1 343.471 1.835 20 0 EDADMP C[C@@]1(CNC(=O)CC[NH+]2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000799014964 581014037 /nfs/dbraw/zinc/01/40/37/581014037.db2.gz NAQCQBMCHCZARC-FQEVSTJZSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@@]1(CNC(=O)CC[NH+]2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799014964 581014038 /nfs/dbraw/zinc/01/40/38/581014038.db2.gz NAQCQBMCHCZARC-FQEVSTJZSA-N 2 1 345.487 1.737 20 0 EDADMP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cn1 ZINC000799606115 581032616 /nfs/dbraw/zinc/03/26/16/581032616.db2.gz RQBPXTRRDIIHRB-IBGZPJMESA-N 2 1 345.418 1.876 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCCO1 ZINC000891855055 590656169 /nfs/dbraw/zinc/65/61/69/590656169.db2.gz HSLRSQRWTWVSJR-HOTGVXAUSA-N 2 1 340.512 1.565 20 0 EDADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000891882160 590668425 /nfs/dbraw/zinc/66/84/25/590668425.db2.gz PFWQKSMUQCEPFI-MOPGFXCFSA-N 2 1 342.487 1.923 20 0 EDADMP C[NH+]1CCC[C@H]2[C@H]1CCN2C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000891882160 590668427 /nfs/dbraw/zinc/66/84/27/590668427.db2.gz PFWQKSMUQCEPFI-MOPGFXCFSA-N 2 1 342.487 1.923 20 0 EDADMP C[NH+]1CCC[C@H]2[C@H]1CCN2C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000891882160 590668430 /nfs/dbraw/zinc/66/84/30/590668430.db2.gz PFWQKSMUQCEPFI-MOPGFXCFSA-N 2 1 342.487 1.923 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000891956315 590707120 /nfs/dbraw/zinc/70/71/20/590707120.db2.gz OJLNMIQISRHHJI-HNNXBMFYSA-N 2 1 330.476 1.863 20 0 EDADMP C[NH2+]CCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000891961448 590709786 /nfs/dbraw/zinc/70/97/86/590709786.db2.gz AQMGKBXOEPMMHM-QGZVFWFLSA-N 2 1 334.464 1.105 20 0 EDADMP C[NH2+]CCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000891961448 590709789 /nfs/dbraw/zinc/70/97/89/590709789.db2.gz AQMGKBXOEPMMHM-QGZVFWFLSA-N 2 1 334.464 1.105 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCc1cn2c(n1)CCCC2 ZINC000891990533 590731017 /nfs/dbraw/zinc/73/10/17/590731017.db2.gz VYIVJOJLRHDRPT-HZPDHXFCSA-N 2 1 331.464 1.640 20 0 EDADMP CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000892025905 590755829 /nfs/dbraw/zinc/75/58/29/590755829.db2.gz AXOVNCDQDGLXPA-GOSISDBHSA-N 2 1 330.476 1.814 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1 ZINC000892040489 590766398 /nfs/dbraw/zinc/76/63/98/590766398.db2.gz CHBADJUMCMXYJJ-BBRMVZONSA-N 2 1 334.464 1.351 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N1CCN(C)CC[N@@H+](C)CC1)C(C)C ZINC000893371200 590813835 /nfs/dbraw/zinc/81/38/35/590813835.db2.gz YXNQKILOYCLXBH-UHFFFAOYSA-N 2 1 341.544 1.384 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c3c(nn2C)CCOC3)C1 ZINC000892146519 590821543 /nfs/dbraw/zinc/82/15/43/590821543.db2.gz VXMAGPFHKORCCF-HNNXBMFYSA-N 2 1 336.480 1.426 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000909360906 590884688 /nfs/dbraw/zinc/88/46/88/590884688.db2.gz GRFDPHTWTGBUSO-BEFAXECRSA-N 2 1 339.524 1.801 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC000893622474 591015227 /nfs/dbraw/zinc/01/52/27/591015227.db2.gz SQKAOEJHLSSFGO-YSHGAJCASA-N 2 1 342.487 1.995 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)C[NH+]1Cc1ccccc1 ZINC000893622474 591015232 /nfs/dbraw/zinc/01/52/32/591015232.db2.gz SQKAOEJHLSSFGO-YSHGAJCASA-N 2 1 342.487 1.995 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)C[NH+]1Cc1ccccc1 ZINC000893622474 591015237 /nfs/dbraw/zinc/01/52/37/591015237.db2.gz SQKAOEJHLSSFGO-YSHGAJCASA-N 2 1 342.487 1.995 20 0 EDADMP C[NH+]1CCC(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000892421492 591020944 /nfs/dbraw/zinc/02/09/44/591020944.db2.gz LHKGYOSASUZTIC-QGZVFWFLSA-N 3 1 336.549 1.968 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000891340244 591050283 /nfs/dbraw/zinc/05/02/83/591050283.db2.gz MEJJQJMITVPGOW-UHFFFAOYSA-N 2 1 339.528 1.315 20 0 EDADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000891364269 591061568 /nfs/dbraw/zinc/06/15/68/591061568.db2.gz TXORULOQOVUBFK-VXGBXAGGSA-N 2 1 335.477 1.296 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891405193 591067684 /nfs/dbraw/zinc/06/76/84/591067684.db2.gz DAPPYRFUUKOZDT-QAPCUYQASA-N 2 1 340.431 1.660 20 0 EDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892546724 591067927 /nfs/dbraw/zinc/06/79/27/591067927.db2.gz KVDGXSDIYSUVPW-SCTDSRPQSA-N 2 1 346.475 1.002 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892563199 591074167 /nfs/dbraw/zinc/07/41/67/591074167.db2.gz PZWFPDMNLBNCOZ-DLBZAZTESA-N 2 1 343.487 1.627 20 0 EDADMP COCCC1(NC(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC[NH2+]CC1 ZINC000891536510 591113573 /nfs/dbraw/zinc/11/35/73/591113573.db2.gz SIVLKWLBPIQMQC-AWEZNQCLSA-N 2 1 337.468 1.286 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891545080 591118556 /nfs/dbraw/zinc/11/85/56/591118556.db2.gz IMAGVQUPOUFSRY-UHFFFAOYSA-N 2 1 325.482 1.401 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NC3(C[NH3+])CCCCC3)C2)CC1 ZINC000891561257 591126057 /nfs/dbraw/zinc/12/60/57/591126057.db2.gz VXZILEXDHIEMKA-OAHLLOKOSA-N 2 1 337.512 1.116 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC3(C[NH3+])CCCCC3)C2)CC1 ZINC000891561257 591126059 /nfs/dbraw/zinc/12/60/59/591126059.db2.gz VXZILEXDHIEMKA-OAHLLOKOSA-N 2 1 337.512 1.116 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)[C@@H](C)C1 ZINC000891563877 591127214 /nfs/dbraw/zinc/12/72/14/591127214.db2.gz JLENDXMETQGNCM-JONQDZQNSA-N 2 1 326.485 1.255 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000891565657 591128126 /nfs/dbraw/zinc/12/81/26/591128126.db2.gz QZBJAVQFUYNUKG-BZUAXINKSA-N 2 1 326.485 1.256 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000893988866 591160898 /nfs/dbraw/zinc/16/08/98/591160898.db2.gz CZRSTLQILUHNHG-SJLPKXTDSA-N 2 1 343.475 1.644 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891642858 591164368 /nfs/dbraw/zinc/16/43/68/591164368.db2.gz AALSZADIGDBCBT-VDHUWJSZSA-N 2 1 330.476 1.934 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C[N@H+]1C1CC1 ZINC000891658911 591172242 /nfs/dbraw/zinc/17/22/42/591172242.db2.gz AUFBNUIOUCRSPY-KBRIMQKVSA-N 2 1 328.460 1.625 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891685494 591184967 /nfs/dbraw/zinc/18/49/67/591184967.db2.gz MBUYMUOFOZYCIJ-HPFXQQBRSA-N 2 1 336.480 1.214 20 0 EDADMP C[C@@H]1CC[N@H+](CCNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000891700222 591190644 /nfs/dbraw/zinc/19/06/44/591190644.db2.gz WYNTVNWGRKOJSS-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000891700222 591190648 /nfs/dbraw/zinc/19/06/48/591190648.db2.gz WYNTVNWGRKOJSS-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000891700222 591190650 /nfs/dbraw/zinc/19/06/50/591190650.db2.gz WYNTVNWGRKOJSS-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000891700222 591190652 /nfs/dbraw/zinc/19/06/52/591190652.db2.gz WYNTVNWGRKOJSS-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000892835762 591197800 /nfs/dbraw/zinc/19/78/00/591197800.db2.gz DZGUJZGTLJKRAX-MRXNPFEDSA-N 2 1 338.496 1.272 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000892835730 591198063 /nfs/dbraw/zinc/19/80/63/591198063.db2.gz DCAHNNUURIQQHZ-MRXNPFEDSA-N 2 1 338.496 1.415 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC000891740207 591205433 /nfs/dbraw/zinc/20/54/33/591205433.db2.gz RHUWUDUGISDUFW-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC000891740207 591205435 /nfs/dbraw/zinc/20/54/35/591205435.db2.gz RHUWUDUGISDUFW-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)N3CCc4sc(C[NH3+])nc4C3)C2)C1 ZINC000892880028 591215290 /nfs/dbraw/zinc/21/52/90/591215290.db2.gz XVCXROKCZZDHRG-KRWDZBQOSA-N 2 1 349.504 1.498 20 0 EDADMP COC(=O)c1cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cs1 ZINC000894242401 591242058 /nfs/dbraw/zinc/24/20/58/591242058.db2.gz ZAQUTJQLVVDKQC-UHFFFAOYSA-N 2 1 339.505 1.898 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC(Cc2ccoc2)C1 ZINC000895665431 591246266 /nfs/dbraw/zinc/24/62/66/591246266.db2.gz CQOASHSXCKYYQP-HNNXBMFYSA-N 2 1 336.480 1.736 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC(Cc2ccoc2)C1 ZINC000895665431 591246268 /nfs/dbraw/zinc/24/62/68/591246268.db2.gz CQOASHSXCKYYQP-HNNXBMFYSA-N 2 1 336.480 1.736 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1(C2(O)CCC2)CC1 ZINC000895666011 591246797 /nfs/dbraw/zinc/24/67/97/591246797.db2.gz IXCYFCCQFPWBGW-HNNXBMFYSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1(C2(O)CCC2)CC1 ZINC000895666011 591246799 /nfs/dbraw/zinc/24/67/99/591246799.db2.gz IXCYFCCQFPWBGW-HNNXBMFYSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)CC1 ZINC000895932279 591306594 /nfs/dbraw/zinc/30/65/94/591306594.db2.gz MAMUNEOYCDDRNA-KZNAEPCWSA-N 2 1 337.508 1.460 20 0 EDADMP CN(CC[N@@H+](C)[C@H]1CCC2(C[C@@H]1F)OCCO2)C1CC[NH+](C)CC1 ZINC000894453079 591315942 /nfs/dbraw/zinc/31/59/42/591315942.db2.gz AMOAYYJLYBIYIR-IRXDYDNUSA-N 2 1 343.487 1.578 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000896059233 591331257 /nfs/dbraw/zinc/33/12/57/591331257.db2.gz UUEYTDJHYGKPOR-KRWDZBQOSA-N 2 1 331.460 1.909 20 0 EDADMP CC(C)(C)N1CC[C@H]1C(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000896059233 591331262 /nfs/dbraw/zinc/33/12/62/591331262.db2.gz UUEYTDJHYGKPOR-KRWDZBQOSA-N 2 1 331.460 1.909 20 0 EDADMP C[C@H](NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000151112966 591347421 /nfs/dbraw/zinc/34/74/21/591347421.db2.gz QGDUVUDEOCGYGK-BHYGNILZSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000151112966 591347425 /nfs/dbraw/zinc/34/74/25/591347425.db2.gz QGDUVUDEOCGYGK-BHYGNILZSA-N 2 1 340.512 1.515 20 0 EDADMP CC1(C)CC[N@@H+](CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000898595973 591429545 /nfs/dbraw/zinc/42/95/45/591429545.db2.gz MVTCJOBIIMLWFZ-MRXNPFEDSA-N 2 1 338.496 1.082 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000897469169 591470687 /nfs/dbraw/zinc/47/06/87/591470687.db2.gz FIBMZCVOINERRS-JKSUJKDBSA-N 2 1 331.464 1.644 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000897481679 591487422 /nfs/dbraw/zinc/48/74/22/591487422.db2.gz HIAWTNGMUAXBBL-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000897483681 591489291 /nfs/dbraw/zinc/48/92/91/591489291.db2.gz SNZWSDRQOWNUDZ-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000897517544 591517455 /nfs/dbraw/zinc/51/74/55/591517455.db2.gz AZQVVCVPVHBFTE-WBVHZDCISA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCN1C ZINC000896567923 591529467 /nfs/dbraw/zinc/52/94/67/591529467.db2.gz JSEZMQCEEOHAME-YTQUADARSA-N 2 1 344.503 1.402 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1C[N@H+](C)CCN1C ZINC000896567923 591529470 /nfs/dbraw/zinc/52/94/70/591529470.db2.gz JSEZMQCEEOHAME-YTQUADARSA-N 2 1 344.503 1.402 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896567923 591529474 /nfs/dbraw/zinc/52/94/74/591529474.db2.gz JSEZMQCEEOHAME-YTQUADARSA-N 2 1 344.503 1.402 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000909436254 591567245 /nfs/dbraw/zinc/56/72/45/591567245.db2.gz IIJFTVDOJJKHNN-CQSZACIVSA-N 2 1 330.432 1.429 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000909436254 591567247 /nfs/dbraw/zinc/56/72/47/591567247.db2.gz IIJFTVDOJJKHNN-CQSZACIVSA-N 2 1 330.432 1.429 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CC)CCC(N)=O)CC1 ZINC000896715360 591592005 /nfs/dbraw/zinc/59/20/05/591592005.db2.gz RIXKWLIKSOQGSI-UHFFFAOYSA-N 2 1 332.492 1.916 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000896749846 591602605 /nfs/dbraw/zinc/60/26/05/591602605.db2.gz YTDCDUTXGNBTLQ-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP C[N@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000896749846 591602595 /nfs/dbraw/zinc/60/25/95/591602595.db2.gz YTDCDUTXGNBTLQ-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000896749846 591602599 /nfs/dbraw/zinc/60/25/99/591602599.db2.gz YTDCDUTXGNBTLQ-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP C[N@@H+](CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)Cc1ccc(F)cc1 ZINC000896841688 591629656 /nfs/dbraw/zinc/62/96/56/591629656.db2.gz VPSWVGCYRNOTEH-QGZVFWFLSA-N 2 1 335.423 1.094 20 0 EDADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897759273 591646285 /nfs/dbraw/zinc/64/62/85/591646285.db2.gz WSUWEMAFYVURGZ-COXVUDFISA-N 2 1 331.464 1.875 20 0 EDADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000897759273 591646287 /nfs/dbraw/zinc/64/62/87/591646287.db2.gz WSUWEMAFYVURGZ-COXVUDFISA-N 2 1 331.464 1.875 20 0 EDADMP O=c1[nH]c2ccc(C[N@H+]3CCC[C@@H](N4CCOCC4)CC3)cc2[nH]1 ZINC000895193357 591651650 /nfs/dbraw/zinc/65/16/50/591651650.db2.gz WFKIYICFGRBXNA-OAHLLOKOSA-N 2 1 330.432 1.955 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000895463976 591767553 /nfs/dbraw/zinc/76/75/53/591767553.db2.gz ALZWQTGKGFMNFX-ROUUACIJSA-N 2 1 331.460 1.518 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000895463976 591767555 /nfs/dbraw/zinc/76/75/55/591767555.db2.gz ALZWQTGKGFMNFX-ROUUACIJSA-N 2 1 331.460 1.518 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897232233 591778975 /nfs/dbraw/zinc/77/89/75/591778975.db2.gz MOYRUUZAJRZMFI-GOSISDBHSA-N 2 1 329.444 1.400 20 0 EDADMP COc1cccc([C@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[NH+](C)C)c1 ZINC000900012540 591862658 /nfs/dbraw/zinc/86/26/58/591862658.db2.gz BPBCACJGAQNHJB-HKUYNNGSSA-N 2 1 349.475 1.261 20 0 EDADMP CN(Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(C)(C)C[NH+](C)C ZINC000898308163 591865810 /nfs/dbraw/zinc/86/58/10/591865810.db2.gz QLSMEGVHWLAOQK-UHFFFAOYSA-N 2 1 334.512 1.248 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000900011664 591866427 /nfs/dbraw/zinc/86/64/27/591866427.db2.gz YQHCDPVQMZKARD-INIZCTEOSA-N 2 1 339.480 1.062 20 0 EDADMP C[N@@H+](CCO)CCNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000899731844 591918286 /nfs/dbraw/zinc/91/82/86/591918286.db2.gz MRUQBCJYMZRYMQ-INIZCTEOSA-N 2 1 337.439 1.078 20 0 EDADMP C[NH+](CCO)CCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000899731844 591918287 /nfs/dbraw/zinc/91/82/87/591918287.db2.gz MRUQBCJYMZRYMQ-INIZCTEOSA-N 2 1 337.439 1.078 20 0 EDADMP C[NH+](CCO)CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000899731844 591918293 /nfs/dbraw/zinc/91/82/93/591918293.db2.gz MRUQBCJYMZRYMQ-INIZCTEOSA-N 2 1 337.439 1.078 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(CO)[nH]cc(OC)c1=O ZINC000902236920 591952739 /nfs/dbraw/zinc/95/27/39/591952739.db2.gz CHORFNCNNPCANE-UHFFFAOYSA-N 2 1 348.447 1.547 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(CO)[nH]cc(OC)c1=O ZINC000902236920 591952740 /nfs/dbraw/zinc/95/27/40/591952740.db2.gz CHORFNCNNPCANE-UHFFFAOYSA-N 2 1 348.447 1.547 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C12CC[NH+](CC1)C2 ZINC000900255864 591962631 /nfs/dbraw/zinc/96/26/31/591962631.db2.gz KMQKSAGECHIOGM-UHFFFAOYSA-N 2 1 329.444 1.231 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900257415 591963281 /nfs/dbraw/zinc/96/32/81/591963281.db2.gz ZNCHLMDPJKJNMK-QGZVFWFLSA-N 2 1 329.404 1.361 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900257415 591963283 /nfs/dbraw/zinc/96/32/83/591963283.db2.gz ZNCHLMDPJKJNMK-QGZVFWFLSA-N 2 1 329.404 1.361 20 0 EDADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC000899871110 591966832 /nfs/dbraw/zinc/96/68/32/591966832.db2.gz OEVSMPQPLXMCKS-IBGZPJMESA-N 2 1 348.487 1.451 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000899927293 591984276 /nfs/dbraw/zinc/98/42/76/591984276.db2.gz OSLNDIAGMVITGR-HKUYNNGSSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900336598 591987969 /nfs/dbraw/zinc/98/79/69/591987969.db2.gz VSHTZJVFVROWHY-JTDSTZFVSA-N 2 1 339.524 1.706 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900336598 591987971 /nfs/dbraw/zinc/98/79/71/591987971.db2.gz VSHTZJVFVROWHY-JTDSTZFVSA-N 2 1 339.524 1.706 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900336598 591987973 /nfs/dbraw/zinc/98/79/73/591987973.db2.gz VSHTZJVFVROWHY-JTDSTZFVSA-N 2 1 339.524 1.706 20 0 EDADMP O=c1ccn(CCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(=O)[nH]1 ZINC000902522098 592010097 /nfs/dbraw/zinc/01/00/97/592010097.db2.gz WFWGBKFKHFNSRM-CVEARBPZSA-N 2 1 328.416 1.422 20 0 EDADMP COC[C@@H]1C[NH2+]CCN1c1cc[nH+]c(N[C@H]2CCCO[C@H]2C(C)C)n1 ZINC000900450595 592021277 /nfs/dbraw/zinc/02/12/77/592021277.db2.gz NEKYSSHPPNDKQM-ZOBUZTSGSA-N 2 1 349.479 1.517 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900604831 592066887 /nfs/dbraw/zinc/06/68/87/592066887.db2.gz UUOPOIZWXWHMDR-QAPCUYQASA-N 2 1 334.464 1.456 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900604831 592066889 /nfs/dbraw/zinc/06/68/89/592066889.db2.gz UUOPOIZWXWHMDR-QAPCUYQASA-N 2 1 334.464 1.456 20 0 EDADMP C[C@@H](CNC(=O)c1ccnn1CC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000900656205 592082580 /nfs/dbraw/zinc/08/25/80/592082580.db2.gz QQZRSRMYAGRZLP-INIZCTEOSA-N 2 1 343.475 1.695 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900705560 592099864 /nfs/dbraw/zinc/09/98/64/592099864.db2.gz GBHDOOKGRCRLNY-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000900705560 592099866 /nfs/dbraw/zinc/09/98/66/592099866.db2.gz GBHDOOKGRCRLNY-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000900705560 592099868 /nfs/dbraw/zinc/09/98/68/592099868.db2.gz GBHDOOKGRCRLNY-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP O[C@]1(C[NH2+][C@H]2CCO[C@@]23CCOC3)CC[N@H+](Cc2ccccc2)C1 ZINC000903100108 592120172 /nfs/dbraw/zinc/12/01/72/592120172.db2.gz PPKAPTGDAIESHX-GBESFXJTSA-N 2 1 332.444 1.161 20 0 EDADMP O[C@]1(C[NH2+][C@H]2CCO[C@@]23CCOC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000903100108 592120174 /nfs/dbraw/zinc/12/01/74/592120174.db2.gz PPKAPTGDAIESHX-GBESFXJTSA-N 2 1 332.444 1.161 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C3CCN(C(C)=O)CC3)C2)[C@H]1C(C)C ZINC000903116964 592123505 /nfs/dbraw/zinc/12/35/05/592123505.db2.gz BSSFDYDQCJXESJ-MKXGPGLRSA-N 2 1 337.508 1.457 20 0 EDADMP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000903188575 592135486 /nfs/dbraw/zinc/13/54/86/592135486.db2.gz GOJXXRAGQTVQLS-GJZGRUSLSA-N 2 1 343.537 1.843 20 0 EDADMP CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903207713 592138109 /nfs/dbraw/zinc/13/81/09/592138109.db2.gz ZPCVABMKFARYHB-IVZBYUQCSA-N 2 1 349.519 1.350 20 0 EDADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@]3(CO)COCCN3C)CC2)C1 ZINC000903279497 592150652 /nfs/dbraw/zinc/15/06/52/592150652.db2.gz JZWJUZCQHAGCMD-NEWSRXKRSA-N 2 1 339.524 1.312 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000900890147 592158276 /nfs/dbraw/zinc/15/82/76/592158276.db2.gz MOPYCDLYMKSBNW-JKSUJKDBSA-N 2 1 339.480 1.062 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000900890147 592158278 /nfs/dbraw/zinc/15/82/78/592158278.db2.gz MOPYCDLYMKSBNW-JKSUJKDBSA-N 2 1 339.480 1.062 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000900890147 592158280 /nfs/dbraw/zinc/15/82/80/592158280.db2.gz MOPYCDLYMKSBNW-JKSUJKDBSA-N 2 1 339.480 1.062 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCOCCN1C(=O)c2ccccc2C1=O ZINC000903424925 592171236 /nfs/dbraw/zinc/17/12/36/592171236.db2.gz LTRBHMCHBOOGIW-KRWDZBQOSA-N 2 1 347.459 1.604 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](C[C@@H]3CC[C@H](C(F)(F)F)O3)C2)nn1 ZINC000903458570 592171323 /nfs/dbraw/zinc/17/13/23/592171323.db2.gz DLMLEJXSDVBUJF-FRRDWIJNSA-N 2 1 333.358 1.484 20 0 EDADMP C[N@@H+](CCOCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[NH2+]CC1 ZINC000903448701 592172865 /nfs/dbraw/zinc/17/28/65/592172865.db2.gz KBQOHARRKBMGQJ-OAHLLOKOSA-N 2 1 345.443 1.373 20 0 EDADMP CO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000903445707 592172985 /nfs/dbraw/zinc/17/29/85/592172985.db2.gz NKDHPYJGSHNPHQ-ZNMIVQPWSA-N 2 1 337.468 1.412 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)NC1CCCCCC1)C2 ZINC000903490636 592184394 /nfs/dbraw/zinc/18/43/94/592184394.db2.gz BHCDBNLIAZZPMU-IYOUNJFTSA-N 2 1 337.464 1.038 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCOc1ccc(OC)cc1)C2 ZINC000903492640 592184847 /nfs/dbraw/zinc/18/48/47/592184847.db2.gz PCOGUAZUUOQFQR-IYOUNJFTSA-N 2 1 334.416 1.286 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000903493100 592185730 /nfs/dbraw/zinc/18/57/30/592185730.db2.gz UHCXHPATVAGXFE-ZDXGLAPJSA-N 2 1 343.427 1.004 20 0 EDADMP C[NH+](C)CCN(Cc1cccs1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900990883 592198907 /nfs/dbraw/zinc/19/89/07/592198907.db2.gz CQIJTQUBWUSAFI-KRWDZBQOSA-N 2 1 339.505 1.485 20 0 EDADMP Cn1ccc([C@H]2CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000903563476 592211118 /nfs/dbraw/zinc/21/11/18/592211118.db2.gz DRNXXZAOCFOCHM-LNLFQRSKSA-N 2 1 328.460 1.530 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904384333 592247674 /nfs/dbraw/zinc/24/76/74/592247674.db2.gz IVGVLRLVYJAWRS-SOLBZPMBSA-N 2 1 343.427 1.379 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906665559 592248250 /nfs/dbraw/zinc/24/82/50/592248250.db2.gz ZECRFUQGLGDOII-XJKSGUPXSA-N 2 1 346.475 1.618 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000901133026 592251427 /nfs/dbraw/zinc/25/14/27/592251427.db2.gz AEPZKVFURIJHIQ-JWHDQAAXSA-N 2 1 349.519 1.820 20 0 EDADMP COC(=O)c1ccc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)cc1 ZINC000904454386 592265038 /nfs/dbraw/zinc/26/50/38/592265038.db2.gz UVMAAOUBLXGWIA-KRWDZBQOSA-N 2 1 341.411 1.899 20 0 EDADMP Cn1c2ccc(CNC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)cc2nc1C1CC1 ZINC000908057431 592277656 /nfs/dbraw/zinc/27/76/56/592277656.db2.gz ZPSLHNYTAHYUFC-LIRRHRJNSA-N 2 1 342.443 1.522 20 0 EDADMP CN1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc2c(c1)nc(C1CC1)n2C ZINC000908057431 592277661 /nfs/dbraw/zinc/27/76/61/592277661.db2.gz ZPSLHNYTAHYUFC-LIRRHRJNSA-N 2 1 342.443 1.522 20 0 EDADMP COc1cc2c(cc1OC)C[N@@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903718867 592280914 /nfs/dbraw/zinc/28/09/14/592280914.db2.gz SLTVKJWZPHDORL-QFBILLFUSA-N 2 1 332.444 1.831 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000908034708 592282020 /nfs/dbraw/zinc/28/20/20/592282020.db2.gz GRRMZVKLJHJVNI-KZNAEPCWSA-N 2 1 335.492 1.574 20 0 EDADMP C[NH+](C)CCOc1ccc(-c2noc(C[C@H]([NH3+])C(F)F)n2)cc1 ZINC000904553053 592286233 /nfs/dbraw/zinc/28/62/33/592286233.db2.gz VAGMPBKVFFAHDG-LBPRGKRZSA-N 2 1 326.347 1.812 20 0 EDADMP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCN(c2ccccc2)C1=O ZINC000903730767 592287207 /nfs/dbraw/zinc/28/72/07/592287207.db2.gz YZCTZYRZDXTHIS-ROUUACIJSA-N 2 1 343.471 1.882 20 0 EDADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCN(c2ccccc2)C1=O ZINC000903730767 592287210 /nfs/dbraw/zinc/28/72/10/592287210.db2.gz YZCTZYRZDXTHIS-ROUUACIJSA-N 2 1 343.471 1.882 20 0 EDADMP c1ccc(C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000903745616 592292197 /nfs/dbraw/zinc/29/21/97/592292197.db2.gz LJZMMAVYPZOMOO-UFYCRDLUSA-N 3 1 344.503 1.794 20 0 EDADMP c1ccc(C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000903745616 592292199 /nfs/dbraw/zinc/29/21/99/592292199.db2.gz LJZMMAVYPZOMOO-UFYCRDLUSA-N 3 1 344.503 1.794 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@H](C)C1 ZINC000904597556 592292423 /nfs/dbraw/zinc/29/24/23/592292423.db2.gz TYFOGIDLQJYBBH-ZIAGYGMSSA-N 2 1 334.464 1.799 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000904607896 592295110 /nfs/dbraw/zinc/29/51/10/592295110.db2.gz VRLUFHGERRXYTL-DLBZAZTESA-N 2 1 346.475 1.943 20 0 EDADMP C1CO[C@H]([C@@H]2C[C@H](c3nc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)no3)CC[NH2+]2)C1 ZINC000904637359 592300129 /nfs/dbraw/zinc/30/01/29/592300129.db2.gz IMTIGTGLCKEDAU-YXMSTPNBSA-N 2 1 348.447 1.620 20 0 EDADMP C1CO[C@H]([C@@H]2C[C@H](c3nc([C@@H]4C[N@H+]5CCC[C@H]5CO4)no3)CC[NH2+]2)C1 ZINC000904637359 592300133 /nfs/dbraw/zinc/30/01/33/592300133.db2.gz IMTIGTGLCKEDAU-YXMSTPNBSA-N 2 1 348.447 1.620 20 0 EDADMP NC(=O)Cc1cccc2c1CC[N@@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903777521 592319453 /nfs/dbraw/zinc/31/94/53/592319453.db2.gz BXVNCEKNYTUWER-QGZVFWFLSA-N 2 1 343.471 1.231 20 0 EDADMP C[N@@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903781936 592321447 /nfs/dbraw/zinc/32/14/47/592321447.db2.gz XRDUHQHHKZQZFA-YQVWRLOYSA-N 2 1 345.443 1.712 20 0 EDADMP C[C@]1([C@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)COC(=O)N1 ZINC000903785965 592321872 /nfs/dbraw/zinc/32/18/72/592321872.db2.gz CVSVEGKFFXWGBG-YQQAZPJKSA-N 2 1 337.464 1.356 20 0 EDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)C1 ZINC000903825020 592334285 /nfs/dbraw/zinc/33/42/85/592334285.db2.gz XFNQRHSBKMCSCJ-FZKCQIBNSA-N 2 1 337.851 1.385 20 0 EDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)C1 ZINC000903825020 592334289 /nfs/dbraw/zinc/33/42/89/592334289.db2.gz XFNQRHSBKMCSCJ-FZKCQIBNSA-N 2 1 337.851 1.385 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCN(Cc3ccsc3)CC1)C2 ZINC000903843302 592342770 /nfs/dbraw/zinc/34/27/70/592342770.db2.gz IALKQUWRAIMMPF-ULQDDVLXSA-N 2 1 348.516 1.204 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCN(Cc3ccsc3)CC1)C2 ZINC000903843302 592342775 /nfs/dbraw/zinc/34/27/75/592342775.db2.gz IALKQUWRAIMMPF-ULQDDVLXSA-N 2 1 348.516 1.204 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCN(c3ccccc3F)CC1)C2 ZINC000903843680 592343067 /nfs/dbraw/zinc/34/30/67/592343067.db2.gz PVYIYWVFDNAUCX-JYJNAYRXSA-N 2 1 346.450 1.286 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCN(c3ccccc3F)CC1)C2 ZINC000903843680 592343072 /nfs/dbraw/zinc/34/30/72/592343072.db2.gz PVYIYWVFDNAUCX-JYJNAYRXSA-N 2 1 346.450 1.286 20 0 EDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000903854306 592346469 /nfs/dbraw/zinc/34/64/69/592346469.db2.gz JDMARHBGMDSHEG-CRAIPNDOSA-N 2 1 330.432 1.216 20 0 EDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000903854306 592346475 /nfs/dbraw/zinc/34/64/75/592346475.db2.gz JDMARHBGMDSHEG-CRAIPNDOSA-N 2 1 330.432 1.216 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903862890 592349471 /nfs/dbraw/zinc/34/94/71/592349471.db2.gz FMRDVMLEQFSKMX-IBGZPJMESA-N 2 1 327.428 1.891 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903862890 592349475 /nfs/dbraw/zinc/34/94/75/592349475.db2.gz FMRDVMLEQFSKMX-IBGZPJMESA-N 2 1 327.428 1.891 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cnn1C ZINC000903889640 592350985 /nfs/dbraw/zinc/35/09/85/592350985.db2.gz URYHKKGHJPOTSB-IRXDYDNUSA-N 2 1 342.491 1.675 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000903889843 592351253 /nfs/dbraw/zinc/35/12/53/592351253.db2.gz WISJOKGFJFKZNY-CVEARBPZSA-N 2 1 341.463 1.532 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000903889843 592351257 /nfs/dbraw/zinc/35/12/57/592351257.db2.gz WISJOKGFJFKZNY-CVEARBPZSA-N 2 1 341.463 1.532 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000908202078 592379754 /nfs/dbraw/zinc/37/97/54/592379754.db2.gz IFEWPQOGSGVXLK-QZTJIDSGSA-N 2 1 331.460 1.081 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCC(c2ccncn2)CC1 ZINC000903930118 592382848 /nfs/dbraw/zinc/38/28/48/592382848.db2.gz SMQZRUCLJAXMFH-OAHLLOKOSA-N 2 1 327.436 1.372 20 0 EDADMP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC1(O)CCCC1 ZINC000905023236 592384209 /nfs/dbraw/zinc/38/42/09/592384209.db2.gz GGOQQWCYOKJPRV-IBGZPJMESA-N 2 1 348.487 1.665 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)CC2(O)CCCC2)cn1 ZINC000905058386 592395722 /nfs/dbraw/zinc/39/57/22/592395722.db2.gz FLNHMMQKACDDJC-MRXNPFEDSA-N 2 1 330.432 1.721 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)C2 ZINC000903978492 592399413 /nfs/dbraw/zinc/39/94/13/592399413.db2.gz HHSOPLMRFQYVGG-KHYOSLBOSA-N 2 1 348.491 1.967 20 0 EDADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1(O)CCCC1 ZINC000905098495 592404419 /nfs/dbraw/zinc/40/44/19/592404419.db2.gz SWBPVCLQJLLHFO-RBUKOAKNSA-N 2 1 332.488 1.807 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000906891138 592407806 /nfs/dbraw/zinc/40/78/06/592407806.db2.gz XGSDQQJUQUUSJS-AEFFLSMTSA-N 2 1 339.524 1.660 20 0 EDADMP C/C(=C/C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)CN1CCOCC1 ZINC000908357674 592476570 /nfs/dbraw/zinc/47/65/70/592476570.db2.gz HXBJEXFWHWWGHU-TXQCQQFXSA-N 2 1 335.492 1.598 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905347722 592501988 /nfs/dbraw/zinc/50/19/88/592501988.db2.gz BHYHINNHTXYXSK-SJORKVTESA-N 2 1 328.497 1.259 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908524698 592520673 /nfs/dbraw/zinc/52/06/73/592520673.db2.gz HNGXUMRWCBQXKJ-FUHWJXTLSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000907231771 592560352 /nfs/dbraw/zinc/56/03/52/592560352.db2.gz SKFYKDZGYWMIID-INIZCTEOSA-N 2 1 332.492 1.117 20 0 EDADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907231771 592560355 /nfs/dbraw/zinc/56/03/55/592560355.db2.gz SKFYKDZGYWMIID-INIZCTEOSA-N 2 1 332.492 1.117 20 0 EDADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907231771 592560358 /nfs/dbraw/zinc/56/03/58/592560358.db2.gz SKFYKDZGYWMIID-INIZCTEOSA-N 2 1 332.492 1.117 20 0 EDADMP CN1C[C@@H](CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000905526203 592561358 /nfs/dbraw/zinc/56/13/58/592561358.db2.gz UPGOVQSFOIHIOC-HKUYNNGSSA-N 2 1 331.460 1.081 20 0 EDADMP CN1C[C@@H](CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000905526203 592561360 /nfs/dbraw/zinc/56/13/60/592561360.db2.gz UPGOVQSFOIHIOC-HKUYNNGSSA-N 2 1 331.460 1.081 20 0 EDADMP CC(C)O[C@@]1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000905557208 592565732 /nfs/dbraw/zinc/56/57/32/592565732.db2.gz NECQGVWPJOFDHQ-WOJBJXKFSA-N 2 1 348.487 1.797 20 0 EDADMP CC(C)O[C@@]1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000905557208 592565734 /nfs/dbraw/zinc/56/57/34/592565734.db2.gz NECQGVWPJOFDHQ-WOJBJXKFSA-N 2 1 348.487 1.797 20 0 EDADMP CCN1CCC[C@@H](NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000905548996 592571824 /nfs/dbraw/zinc/57/18/24/592571824.db2.gz DSFPHVMWFNQJMR-ZWKOTPCHSA-N 2 1 331.460 1.006 20 0 EDADMP CCN1CCC[C@@H](NC[C@H](O)C[N@H+]2CCc3ccccc3C2)C1=O ZINC000905548996 592571826 /nfs/dbraw/zinc/57/18/26/592571826.db2.gz DSFPHVMWFNQJMR-ZWKOTPCHSA-N 2 1 331.460 1.006 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1CN1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000905734900 592631917 /nfs/dbraw/zinc/63/19/17/592631917.db2.gz XWYSBIXQFTULPV-ALKREAHSSA-N 2 1 342.443 1.038 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906382104 592814225 /nfs/dbraw/zinc/81/42/25/592814225.db2.gz RDNRNZVTBBSWDR-HZPDHXFCSA-N 2 1 338.540 1.353 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906450461 592824417 /nfs/dbraw/zinc/82/44/17/592824417.db2.gz DGXFTNMWZRZMJH-SOLBZPMBSA-N 2 1 336.524 1.344 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906450461 592824419 /nfs/dbraw/zinc/82/44/19/592824419.db2.gz DGXFTNMWZRZMJH-SOLBZPMBSA-N 2 1 336.524 1.344 20 0 EDADMP Cc1cc(C)c(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(C)n1 ZINC000906511607 592837578 /nfs/dbraw/zinc/83/75/78/592837578.db2.gz LNGJQIUCGJPSLL-MRXNPFEDSA-N 2 1 344.459 1.561 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)CC[N@H+]1C ZINC000912586875 593106481 /nfs/dbraw/zinc/10/64/81/593106481.db2.gz ZAQYEFCNVLIULG-JKSUJKDBSA-N 2 1 325.497 1.316 20 0 EDADMP O=C1N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)[C@@H](C2CC2)[C@]12CCCO2 ZINC000840001049 593328549 /nfs/dbraw/zinc/32/85/49/593328549.db2.gz WLTMSTWRHIHMQZ-AZUAARDMSA-N 2 1 347.503 1.922 20 0 EDADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812849068 593510687 /nfs/dbraw/zinc/51/06/87/593510687.db2.gz OCJGEOSITQWPDU-APWZRJJASA-N 2 1 333.476 1.595 20 0 EDADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812849068 593510688 /nfs/dbraw/zinc/51/06/88/593510688.db2.gz OCJGEOSITQWPDU-APWZRJJASA-N 2 1 333.476 1.595 20 0 EDADMP COc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1-c1nn[nH]n1 ZINC000821804595 593943627 /nfs/dbraw/zinc/94/36/27/593943627.db2.gz OJBDQLUZTVBMGD-UHFFFAOYSA-N 2 1 342.447 1.839 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1csc(C2CC2)n1 ZINC000824402075 594003143 /nfs/dbraw/zinc/00/31/43/594003143.db2.gz TWJSPERPAMQYBA-ZDUSSCGKSA-N 2 1 338.521 1.951 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1csc(C2CC2)n1 ZINC000824402075 594003145 /nfs/dbraw/zinc/00/31/45/594003145.db2.gz TWJSPERPAMQYBA-ZDUSSCGKSA-N 2 1 338.521 1.951 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)COc1ccc(F)c(F)c1 ZINC000824826764 594080661 /nfs/dbraw/zinc/08/06/61/594080661.db2.gz PAGQFRDWQAFCCN-ZDUSSCGKSA-N 2 1 343.418 1.732 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)COc1ccc(F)c(F)c1 ZINC000824826764 594080663 /nfs/dbraw/zinc/08/06/63/594080663.db2.gz PAGQFRDWQAFCCN-ZDUSSCGKSA-N 2 1 343.418 1.732 20 0 EDADMP Fc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(-c2nn[nH]n2)c1 ZINC000822771986 594098307 /nfs/dbraw/zinc/09/83/07/594098307.db2.gz NTUGZKDQMZISIN-UHFFFAOYSA-N 2 1 339.378 1.723 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc(CC4(C[NH3+])CC4)n3)cn2)CC1 ZINC000822914208 594121293 /nfs/dbraw/zinc/12/12/93/594121293.db2.gz DLDDADGJAQJLKW-UHFFFAOYSA-N 2 1 328.420 1.165 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc(-c4coc(C[NH3+])c4)n3)cn2)CC1 ZINC000822915016 594121635 /nfs/dbraw/zinc/12/16/35/594121635.db2.gz LDEZDSKRMLLXHW-UHFFFAOYSA-N 2 1 340.387 1.602 20 0 EDADMP COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000826181738 594365154 /nfs/dbraw/zinc/36/51/54/594365154.db2.gz MEOYQISTMIZYFZ-UHFFFAOYSA-N 2 1 341.419 1.902 20 0 EDADMP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000826181738 594365158 /nfs/dbraw/zinc/36/51/58/594365158.db2.gz MEOYQISTMIZYFZ-UHFFFAOYSA-N 2 1 341.419 1.902 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000827023497 594625525 /nfs/dbraw/zinc/62/55/25/594625525.db2.gz CCNXCWXAKBPSAR-LJQANCHMSA-N 2 1 344.503 1.568 20 0 EDADMP CCO[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)C[NH+](C)C ZINC000831758278 594700249 /nfs/dbraw/zinc/70/02/49/594700249.db2.gz XMRSNOLCXUOCMJ-ZWKOTPCHSA-N 2 1 333.476 1.734 20 0 EDADMP [NH3+]CCOc1cccc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000841286660 594881711 /nfs/dbraw/zinc/88/17/11/594881711.db2.gz GYHBTSAFSFHHRO-QGZVFWFLSA-N 2 1 348.447 1.353 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000841722561 594943579 /nfs/dbraw/zinc/94/35/79/594943579.db2.gz OOWTXGWXUIPGIY-HNNXBMFYSA-N 2 1 330.436 1.892 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1cccc(C[NH3+])c1 ZINC000841851375 594965183 /nfs/dbraw/zinc/96/51/83/594965183.db2.gz RQFXTPGTASTFPE-KRWDZBQOSA-N 2 1 325.412 1.941 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000843279738 595060701 /nfs/dbraw/zinc/06/07/01/595060701.db2.gz KOTBGVIYGAPZIF-XHSDSOJGSA-N 2 1 342.553 1.386 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000843279738 595060705 /nfs/dbraw/zinc/06/07/05/595060705.db2.gz KOTBGVIYGAPZIF-XHSDSOJGSA-N 2 1 342.553 1.386 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000843279738 595060710 /nfs/dbraw/zinc/06/07/10/595060710.db2.gz KOTBGVIYGAPZIF-XHSDSOJGSA-N 2 1 342.553 1.386 20 0 EDADMP Cc1cc(C)c(N2CC[C@@H]([N@H+](C)CCN3CC[NH2+]CC3)C2=O)c(C)c1 ZINC000843349358 595082916 /nfs/dbraw/zinc/08/29/16/595082916.db2.gz WOUFQMJLKCQNPF-GOSISDBHSA-N 2 1 344.503 1.554 20 0 EDADMP Cc1cc(C)c(N2CC[C@@H]([N@@H+](C)CCN3CC[NH2+]CC3)C2=O)c(C)c1 ZINC000843349358 595082921 /nfs/dbraw/zinc/08/29/21/595082921.db2.gz WOUFQMJLKCQNPF-GOSISDBHSA-N 2 1 344.503 1.554 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845958883 595105601 /nfs/dbraw/zinc/10/56/01/595105601.db2.gz UHXYOELIKNMBHZ-MQBCKMQZSA-N 2 1 327.469 1.336 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845958883 595105603 /nfs/dbraw/zinc/10/56/03/595105603.db2.gz UHXYOELIKNMBHZ-MQBCKMQZSA-N 2 1 327.469 1.336 20 0 EDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000842471549 595113458 /nfs/dbraw/zinc/11/34/58/595113458.db2.gz IHNGBQQCWPRTDG-MRXNPFEDSA-N 2 1 346.475 1.393 20 0 EDADMP Cc1ccc2c(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc(=O)oc2c1C ZINC000842475657 595115062 /nfs/dbraw/zinc/11/50/62/595115062.db2.gz XMVSQERLMLCYBH-QGZVFWFLSA-N 2 1 341.455 1.889 20 0 EDADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000842480167 595116923 /nfs/dbraw/zinc/11/69/23/595116923.db2.gz FAIRGFWGYVZLKO-CQSZACIVSA-N 2 1 327.428 1.952 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000844174722 595291764 /nfs/dbraw/zinc/29/17/64/595291764.db2.gz CNWLMMGTHWWIFL-HNNXBMFYSA-N 2 1 327.432 1.970 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H](C)[NH2+]C3CC3)cc2)CC1 ZINC000844175832 595292490 /nfs/dbraw/zinc/29/24/90/595292490.db2.gz KSSAATASZZVWLH-AWEZNQCLSA-N 2 1 344.459 1.543 20 0 EDADMP CC1(C)CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000844182762 595294861 /nfs/dbraw/zinc/29/48/61/595294861.db2.gz LLNNSMSVRFGPLD-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844184165 595295674 /nfs/dbraw/zinc/29/56/74/595295674.db2.gz BCOPEKSDDVIFCO-HOTGVXAUSA-N 2 1 325.497 1.772 20 0 EDADMP C[C@H](CNC(=O)CCCC[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848295689 595356004 /nfs/dbraw/zinc/35/60/04/595356004.db2.gz SDOVJRHVVQMJGY-ZACQAIPSSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@H](CNC(=O)CCCC[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848295689 595356006 /nfs/dbraw/zinc/35/60/06/595356006.db2.gz SDOVJRHVVQMJGY-ZACQAIPSSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000847293141 595388888 /nfs/dbraw/zinc/38/88/88/595388888.db2.gz ANJDSGNSGCTRNL-TWMKSMIVSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000847293141 595388892 /nfs/dbraw/zinc/38/88/92/595388892.db2.gz ANJDSGNSGCTRNL-TWMKSMIVSA-N 2 1 340.512 1.658 20 0 EDADMP COc1ccc([C@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000848518393 595402002 /nfs/dbraw/zinc/40/20/02/595402002.db2.gz KHGSJKHEBCECFK-RTBURBONSA-N 2 1 334.460 1.962 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNC(=O)c1ccccc1 ZINC000849074151 595478291 /nfs/dbraw/zinc/47/82/91/595478291.db2.gz BBFPPWMGCKKFEJ-INIZCTEOSA-N 2 1 331.464 1.405 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H]4C[C@@]4(CO)C3)CC2)CC1 ZINC000847851712 595492822 /nfs/dbraw/zinc/49/28/22/595492822.db2.gz XDPMCUVWDGJALJ-APWZRJJASA-N 2 1 335.492 1.024 20 0 EDADMP O=C1N(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]2CCCCN12 ZINC000850563037 595535775 /nfs/dbraw/zinc/53/57/75/595535775.db2.gz QVCOQHZOPFRMQS-SJORKVTESA-N 2 1 336.480 1.119 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000849486799 595547972 /nfs/dbraw/zinc/54/79/72/595547972.db2.gz JAKVYKLJGBDUTC-MSOLQXFVSA-N 2 1 347.507 1.448 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[NH+]1CCCC1 ZINC000849522091 595558328 /nfs/dbraw/zinc/55/83/28/595558328.db2.gz JHXQXXHSQJIBOR-DJIMGWMZSA-N 2 1 333.480 1.056 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NCCCC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849540373 595559556 /nfs/dbraw/zinc/55/95/56/595559556.db2.gz FIGCIYOEPXEPNE-ZWKOTPCHSA-N 2 1 349.523 1.692 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849561877 595568822 /nfs/dbraw/zinc/56/88/22/595568822.db2.gz LOSLOIMVDGHVDE-ZSGPHXLJSA-N 2 1 345.491 1.054 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849561877 595568825 /nfs/dbraw/zinc/56/88/25/595568825.db2.gz LOSLOIMVDGHVDE-ZSGPHXLJSA-N 2 1 345.491 1.054 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849561877 595568828 /nfs/dbraw/zinc/56/88/28/595568828.db2.gz LOSLOIMVDGHVDE-ZSGPHXLJSA-N 2 1 345.491 1.054 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC(C)(C)C[NH+]2CCCC2)cn1 ZINC000849602807 595590142 /nfs/dbraw/zinc/59/01/42/595590142.db2.gz QWCQGWJUOXYSRH-IRXDYDNUSA-N 2 1 347.507 1.446 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)CC1(C)C ZINC000858106019 595701542 /nfs/dbraw/zinc/70/15/42/595701542.db2.gz QVYCRRPPNYIBQC-INIZCTEOSA-N 2 1 339.505 1.568 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)CC1(C)C ZINC000858106019 595701546 /nfs/dbraw/zinc/70/15/46/595701546.db2.gz QVYCRRPPNYIBQC-INIZCTEOSA-N 2 1 339.505 1.568 20 0 EDADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000853250099 595720230 /nfs/dbraw/zinc/72/02/30/595720230.db2.gz ZWDMZKCCIKJNFK-HOTGVXAUSA-N 2 1 333.480 1.425 20 0 EDADMP OCc1cc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc[nH+]1 ZINC000858346157 595770071 /nfs/dbraw/zinc/77/00/71/595770071.db2.gz DXWSWTWQXDXHKF-UHFFFAOYSA-N 2 1 330.407 1.947 20 0 EDADMP CCOP(=O)(OCC)[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852107877 596046982 /nfs/dbraw/zinc/04/69/82/596046982.db2.gz QEMYLGFNZCCLHM-CABCVRRESA-N 2 1 334.397 1.989 20 0 EDADMP CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852107877 596046985 /nfs/dbraw/zinc/04/69/85/596046985.db2.gz QEMYLGFNZCCLHM-CABCVRRESA-N 2 1 334.397 1.989 20 0 EDADMP CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000852107877 596046988 /nfs/dbraw/zinc/04/69/88/596046988.db2.gz QEMYLGFNZCCLHM-CABCVRRESA-N 2 1 334.397 1.989 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000861630998 596052475 /nfs/dbraw/zinc/05/24/75/596052475.db2.gz XHYJYSZJXMGVNX-WDYCEAGBSA-N 2 1 330.476 1.948 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cc1 ZINC000861717807 596079131 /nfs/dbraw/zinc/07/91/31/596079131.db2.gz TZZYNAZSKGLNND-ROUUACIJSA-N 2 1 331.460 1.072 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)C1 ZINC000857180245 596177574 /nfs/dbraw/zinc/17/75/74/596177574.db2.gz XQKAJWZWIHZHQF-MJGOQNOKSA-N 2 1 331.460 1.292 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857180245 596177577 /nfs/dbraw/zinc/17/75/77/596177577.db2.gz XQKAJWZWIHZHQF-MJGOQNOKSA-N 2 1 331.460 1.292 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857180245 596177580 /nfs/dbraw/zinc/17/75/80/596177580.db2.gz XQKAJWZWIHZHQF-MJGOQNOKSA-N 2 1 331.460 1.292 20 0 EDADMP CC[N@@H+](CC(=O)N1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1)C1CC1 ZINC000870535374 596274383 /nfs/dbraw/zinc/27/43/83/596274383.db2.gz CWYJBHACUJLSDA-IRXDYDNUSA-N 2 1 344.459 1.502 20 0 EDADMP CCN(CC(=O)N1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1)C1CC1 ZINC000870535374 596274385 /nfs/dbraw/zinc/27/43/85/596274385.db2.gz CWYJBHACUJLSDA-IRXDYDNUSA-N 2 1 344.459 1.502 20 0 EDADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714571 596306672 /nfs/dbraw/zinc/30/66/72/596306672.db2.gz RYKIDCOZYVWBJG-OIISXLGYSA-N 2 1 330.432 1.120 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)CCC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000870873406 596385438 /nfs/dbraw/zinc/38/54/38/596385438.db2.gz CJHGYURCSHQFEK-XAZSACEBSA-N 2 1 335.492 1.619 20 0 EDADMP CN(C(=O)c1csc(C2CC[NH2+]CC2)n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000870922737 596406644 /nfs/dbraw/zinc/40/66/44/596406644.db2.gz NEXZLKVYCGOBTA-AWEZNQCLSA-N 2 1 334.489 1.919 20 0 EDADMP COCC[C@H](C[NH2+]CC1=CC[N@@H+](C)CC1)NC(=O)OC(C)(C)C ZINC000865522241 596599403 /nfs/dbraw/zinc/59/94/03/596599403.db2.gz MDMIROJHDGEPQK-OAHLLOKOSA-N 2 1 327.469 1.768 20 0 EDADMP CC(C)(C)OC(=O)N(CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000863552754 596616006 /nfs/dbraw/zinc/61/60/06/596616006.db2.gz PEBYFMVFIKEMQW-OAHLLOKOSA-N 2 1 327.469 1.432 20 0 EDADMP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000863554784 596617053 /nfs/dbraw/zinc/61/70/53/596617053.db2.gz IFOBFKRMMSJABR-UHFFFAOYSA-N 2 1 348.491 1.913 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000863554784 596617055 /nfs/dbraw/zinc/61/70/55/596617055.db2.gz IFOBFKRMMSJABR-UHFFFAOYSA-N 2 1 348.491 1.913 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868232675 596738112 /nfs/dbraw/zinc/73/81/12/596738112.db2.gz RNAKFPQNGMZDKV-JKSUJKDBSA-N 2 1 332.448 1.288 20 0 EDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000872144908 596809913 /nfs/dbraw/zinc/80/99/13/596809913.db2.gz IGQGPOUUDJLFCV-OAGGEKHMSA-N 2 1 333.480 1.424 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])C[C@H]1C ZINC000872191030 596827944 /nfs/dbraw/zinc/82/79/44/596827944.db2.gz WRSXALNGSWDGMB-CVEARBPZSA-N 2 1 340.512 1.295 20 0 EDADMP CCOC(=O)C1=CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000872216022 596839991 /nfs/dbraw/zinc/83/99/91/596839991.db2.gz MBYMONSIWOHOFJ-UYAOXDASSA-N 2 1 344.455 1.865 20 0 EDADMP CCOC(=O)C1=CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000872216022 596839994 /nfs/dbraw/zinc/83/99/94/596839994.db2.gz MBYMONSIWOHOFJ-UYAOXDASSA-N 2 1 344.455 1.865 20 0 EDADMP Cc1ccc2ncc(C[N@@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)n2c1 ZINC000872255869 596856620 /nfs/dbraw/zinc/85/66/20/596856620.db2.gz NFGPRKALEMMHDI-IMJJTQAJSA-N 2 1 341.415 1.010 20 0 EDADMP Cc1ccc2ncc(C[N@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)n2c1 ZINC000872255869 596856621 /nfs/dbraw/zinc/85/66/21/596856621.db2.gz NFGPRKALEMMHDI-IMJJTQAJSA-N 2 1 341.415 1.010 20 0 EDADMP COC/C=C\C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000866408683 596878562 /nfs/dbraw/zinc/87/85/62/596878562.db2.gz NOKLVPWFLHPWSZ-PLNGDYQASA-N 2 1 337.508 1.844 20 0 EDADMP C[NH+](C)CCn1c2cc(NC(=O)C[NH+]3CCCC3)ccc2oc1=O ZINC000874250962 596986008 /nfs/dbraw/zinc/98/60/08/596986008.db2.gz CJYAAFPYDIGBHA-UHFFFAOYSA-N 2 1 332.404 1.190 20 0 EDADMP CC[C@@]1(C)CC(=O)N(C[N@H+](CCOC)CC2CC[NH+](C)CC2)C1 ZINC000872631752 597000751 /nfs/dbraw/zinc/00/07/51/597000751.db2.gz FTPYUQUOIBPOLL-SFHVURJKSA-N 2 1 325.497 1.883 20 0 EDADMP CC[C@@]1(C)CC(=O)N(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)C1 ZINC000872631752 597000755 /nfs/dbraw/zinc/00/07/55/597000755.db2.gz FTPYUQUOIBPOLL-SFHVURJKSA-N 2 1 325.497 1.883 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000874830030 597188180 /nfs/dbraw/zinc/18/81/80/597188180.db2.gz PYXOXLHVOQZFAI-BRWVUGGUSA-N 2 1 337.533 1.899 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[NH+]1CCCC[C@H]1C ZINC000875071808 597269561 /nfs/dbraw/zinc/26/95/61/597269561.db2.gz NHAANGNOWSMGLK-PMPSAXMXSA-N 2 1 340.512 1.394 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)[N@@H+]1CCCC[C@H]1C ZINC000875071808 597269564 /nfs/dbraw/zinc/26/95/64/597269564.db2.gz NHAANGNOWSMGLK-PMPSAXMXSA-N 2 1 340.512 1.394 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)[N@H+]1CCCC[C@H]1C ZINC000875071808 597269568 /nfs/dbraw/zinc/26/95/68/597269568.db2.gz NHAANGNOWSMGLK-PMPSAXMXSA-N 2 1 340.512 1.394 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876746448 597319058 /nfs/dbraw/zinc/31/90/58/597319058.db2.gz XSJQWKGHAKSYNP-CYBMUJFWSA-N 2 1 333.354 1.400 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H](N)c2cccc(Br)c2)C1 ZINC000876773453 597333919 /nfs/dbraw/zinc/33/39/19/597333919.db2.gz REZWHRRBBGRJHX-BXUZGUMPSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000876773453 597333921 /nfs/dbraw/zinc/33/39/21/597333921.db2.gz REZWHRRBBGRJHX-BXUZGUMPSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000876773453 597333924 /nfs/dbraw/zinc/33/39/24/597333924.db2.gz REZWHRRBBGRJHX-BXUZGUMPSA-N 2 1 340.265 1.907 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000876773076 597334121 /nfs/dbraw/zinc/33/41/21/597334121.db2.gz VWKBRVNXNRDQBQ-BZUAXINKSA-N 2 1 333.480 1.671 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876776762 597336338 /nfs/dbraw/zinc/33/63/38/597336338.db2.gz QKYDUWGGSOZNMU-MSOLQXFVSA-N 2 1 332.492 1.246 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876782452 597338403 /nfs/dbraw/zinc/33/84/03/597338403.db2.gz RKDZBNHKYQZLBC-AEFFLSMTSA-N 3 1 329.448 1.304 20 0 EDADMP O=C(CCC12CC(C1)C[NH2+]2)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000876960822 597397311 /nfs/dbraw/zinc/39/73/11/597397311.db2.gz NQTCIUHUEFIZAV-FDYSRKEFSA-N 2 1 343.471 1.402 20 0 EDADMP C[NH+](C)C1CCN(c2ccc(NCc3c[nH+]c(N)nc3N)cc2)CC1 ZINC000877131290 597439710 /nfs/dbraw/zinc/43/97/10/597439710.db2.gz YIWJDRVSSDFTDG-UHFFFAOYSA-N 2 1 341.463 1.784 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000877231505 597470515 /nfs/dbraw/zinc/47/05/15/597470515.db2.gz MRQRNSNILVWHKX-SFHVURJKSA-N 2 1 345.487 1.831 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000877231505 597470516 /nfs/dbraw/zinc/47/05/16/597470516.db2.gz MRQRNSNILVWHKX-SFHVURJKSA-N 2 1 345.487 1.831 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000877231206 597470589 /nfs/dbraw/zinc/47/05/89/597470589.db2.gz KYKJAXVGXXPOOI-MSOLQXFVSA-N 2 1 331.460 1.454 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000877231206 597470592 /nfs/dbraw/zinc/47/05/92/597470592.db2.gz KYKJAXVGXXPOOI-MSOLQXFVSA-N 2 1 331.460 1.454 20 0 EDADMP C[C@@]12CN(C(=O)[C@H]3CCO[C@H]3C[NH3+])C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877352083 597498705 /nfs/dbraw/zinc/49/87/05/597498705.db2.gz AUDIZFJTUDFSOE-CGBFIWBNSA-N 2 1 343.471 1.331 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000877357997 597500464 /nfs/dbraw/zinc/50/04/64/597500464.db2.gz APCZHKFIYXLGAY-MCIONIFRSA-N 2 1 329.366 1.885 20 0 EDADMP C[C@H](CCN1CC[C@@H]2[C@H](CC[N@H+]2C)C1)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879578500 597640813 /nfs/dbraw/zinc/64/08/13/597640813.db2.gz TXGKMNBOGZNOIJ-WAPOTWQKSA-N 2 1 334.552 1.817 20 0 EDADMP C[C@H](CCN1CC[C@@H]2[C@H](CC[NH+]2C)C1)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879578500 597640815 /nfs/dbraw/zinc/64/08/15/597640815.db2.gz TXGKMNBOGZNOIJ-WAPOTWQKSA-N 2 1 334.552 1.817 20 0 EDADMP C[C@H](CCN1CC[C@@H]2[C@H](CC[NH+]2C)C1)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879578500 597640816 /nfs/dbraw/zinc/64/08/16/597640816.db2.gz TXGKMNBOGZNOIJ-WAPOTWQKSA-N 2 1 334.552 1.817 20 0 EDADMP CC(=O)Oc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000879593642 597649811 /nfs/dbraw/zinc/64/98/11/597649811.db2.gz IQUARVCVFQXSNX-UHFFFAOYSA-N 2 1 331.460 1.824 20 0 EDADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCC2(CCOCC2)CO1 ZINC000883265325 597696825 /nfs/dbraw/zinc/69/68/25/597696825.db2.gz ZCKJOCQAFTVEFX-QZTJIDSGSA-N 2 1 338.492 1.805 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(CCOCC2)O1 ZINC000883427270 597743271 /nfs/dbraw/zinc/74/32/71/597743271.db2.gz MTGPJRZFCKGJIM-HOTGVXAUSA-N 2 1 339.480 1.034 20 0 EDADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000879951774 597782057 /nfs/dbraw/zinc/78/20/57/597782057.db2.gz QSUCSCKAXRLYFG-QGZVFWFLSA-N 2 1 340.508 1.619 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)CCN1c1cc[nH+]cc1 ZINC000880260502 597886277 /nfs/dbraw/zinc/88/62/77/597886277.db2.gz DBOHNVSKJOPFGZ-NJAFHUGGSA-N 2 1 335.448 1.149 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000880415332 597927157 /nfs/dbraw/zinc/92/71/57/597927157.db2.gz KBVKMZIUMPZBBI-QGZVFWFLSA-N 2 1 329.529 1.510 20 0 EDADMP C[N@H+](CC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1)C1CCC1 ZINC000882332425 597937514 /nfs/dbraw/zinc/93/75/14/597937514.db2.gz WHUNJYGTOPKTOW-UHFFFAOYSA-N 2 1 325.497 1.820 20 0 EDADMP C[N@@H+](CC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1)C1CCC1 ZINC000882332425 597937516 /nfs/dbraw/zinc/93/75/16/597937516.db2.gz WHUNJYGTOPKTOW-UHFFFAOYSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CC(C)(C)CO1 ZINC000889332982 597942025 /nfs/dbraw/zinc/94/20/25/597942025.db2.gz PVXZDMUJODVVBK-JKSUJKDBSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CC(C)(C)CO1 ZINC000889332982 597942026 /nfs/dbraw/zinc/94/20/26/597942026.db2.gz PVXZDMUJODVVBK-JKSUJKDBSA-N 2 1 342.528 1.763 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc2c1CC[NH+](CC(C)(C)O)C2 ZINC000133720167 597994200 /nfs/dbraw/zinc/99/42/00/597994200.db2.gz BWKCRUCCGWQQSU-QGZVFWFLSA-N 2 1 331.460 1.848 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc2c1CC[NH+](CC(C)(C)O)C2 ZINC000133720167 597994202 /nfs/dbraw/zinc/99/42/02/597994202.db2.gz BWKCRUCCGWQQSU-QGZVFWFLSA-N 2 1 331.460 1.848 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000133720167 597994203 /nfs/dbraw/zinc/99/42/03/597994203.db2.gz BWKCRUCCGWQQSU-QGZVFWFLSA-N 2 1 331.460 1.848 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000133720167 597994205 /nfs/dbraw/zinc/99/42/05/597994205.db2.gz BWKCRUCCGWQQSU-QGZVFWFLSA-N 2 1 331.460 1.848 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000884183684 598017971 /nfs/dbraw/zinc/01/79/71/598017971.db2.gz TYXHZVJNXGBOAH-IYBDPMFKSA-N 2 1 349.475 1.514 20 0 EDADMP C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000881019109 598053897 /nfs/dbraw/zinc/05/38/97/598053897.db2.gz GFPOKFOYACAFTH-LUXYFRNMSA-N 2 1 347.507 1.273 20 0 EDADMP C[NH2+]CCOc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000884328297 598069208 /nfs/dbraw/zinc/06/92/08/598069208.db2.gz NMJRVYGCRNQMEC-NVXWUHKLSA-N 2 1 331.460 1.841 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000884363167 598081406 /nfs/dbraw/zinc/08/14/06/598081406.db2.gz XYTFIVYDSXMGHR-UTUOFQBUSA-N 2 1 326.238 1.691 20 0 EDADMP C[NH+]1CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000881134895 598084979 /nfs/dbraw/zinc/08/49/79/598084979.db2.gz SKBWRRIVEUSJAZ-SFHVURJKSA-N 2 1 343.475 1.750 20 0 EDADMP C[NH+]1CCN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000881134895 598084981 /nfs/dbraw/zinc/08/49/81/598084981.db2.gz SKBWRRIVEUSJAZ-SFHVURJKSA-N 2 1 343.475 1.750 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000914075980 695071680 /nfs/dbraw/zinc/07/16/80/695071680.db2.gz MYBQQYJUIBMHLN-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000914075980 695071684 /nfs/dbraw/zinc/07/16/84/695071684.db2.gz MYBQQYJUIBMHLN-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000914075980 695071689 /nfs/dbraw/zinc/07/16/89/695071689.db2.gz MYBQQYJUIBMHLN-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP CCc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)cc(C)[nH+]1 ZINC001060476362 695406078 /nfs/dbraw/zinc/40/60/78/695406078.db2.gz FSGKFZZDZJRYPZ-RSLZBJJISA-N 2 1 343.475 1.096 20 0 EDADMP CCc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cc(C)[nH+]1 ZINC001060476362 695406079 /nfs/dbraw/zinc/40/60/79/695406079.db2.gz FSGKFZZDZJRYPZ-RSLZBJJISA-N 2 1 343.475 1.096 20 0 EDADMP CCC(CC)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031857007 700008133 /nfs/dbraw/zinc/00/81/33/700008133.db2.gz OQPOQJXPIMENLE-URSIVYNOSA-N 2 1 335.492 1.334 20 0 EDADMP C[C@H]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000925412770 695560861 /nfs/dbraw/zinc/56/08/61/695560861.db2.gz XRXRJVKWBQLHNP-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000925412770 695560865 /nfs/dbraw/zinc/56/08/65/695560865.db2.gz XRXRJVKWBQLHNP-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1CCCN(C(=O)C2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)C1 ZINC000915694424 695972302 /nfs/dbraw/zinc/97/23/02/695972302.db2.gz LEBPLXIHXQILJB-AEFFLSMTSA-N 2 1 337.508 1.414 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993365172 696013270 /nfs/dbraw/zinc/01/32/70/696013270.db2.gz LLAYPNGPLFWDDM-CVEARBPZSA-N 2 1 335.496 1.683 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cncn1C ZINC000993927344 696447025 /nfs/dbraw/zinc/44/70/25/696447025.db2.gz LQXTUYBUVFRSOT-QAPCUYQASA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1Cc1cncn1C ZINC000993927344 696447026 /nfs/dbraw/zinc/44/70/26/696447026.db2.gz LQXTUYBUVFRSOT-QAPCUYQASA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC[N@@H+]1CCCO ZINC000994115338 696539638 /nfs/dbraw/zinc/53/96/38/696539638.db2.gz RJWHEVAWMUKPGF-YOEHRIQHSA-N 2 1 343.431 1.232 20 0 EDADMP C[C@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC[N@H+]1CCCO ZINC000994115338 696539639 /nfs/dbraw/zinc/53/96/39/696539639.db2.gz RJWHEVAWMUKPGF-YOEHRIQHSA-N 2 1 343.431 1.232 20 0 EDADMP C[C@H]1[C@H](NC(=O)Cc2cncn2C)CCC[N@H+]1Cc1ccccn1 ZINC000994209609 696582611 /nfs/dbraw/zinc/58/26/11/696582611.db2.gz NQVCSQNEZWSACQ-WMLDXEAASA-N 2 1 327.432 1.527 20 0 EDADMP C[C@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1Cc1ccccn1 ZINC000994209609 696582613 /nfs/dbraw/zinc/58/26/13/696582613.db2.gz NQVCSQNEZWSACQ-WMLDXEAASA-N 2 1 327.432 1.527 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948064415 696598575 /nfs/dbraw/zinc/59/85/75/696598575.db2.gz CDVBWPUWANAXDR-NVXWUHKLSA-N 2 1 333.476 1.977 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000916578087 696682852 /nfs/dbraw/zinc/68/28/52/696682852.db2.gz TVJQXOXVHYWMHQ-MRXNPFEDSA-N 2 1 345.491 1.902 20 0 EDADMP Cc1cccc(NCCNC(=O)NCCN2CCOCC2(C)C)[nH+]1 ZINC000916624689 696689551 /nfs/dbraw/zinc/68/95/51/696689551.db2.gz PRUPNMCBCVBSRU-UHFFFAOYSA-N 2 1 335.452 1.212 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)n1 ZINC000994406006 696829552 /nfs/dbraw/zinc/82/95/52/696829552.db2.gz JYNOXXKCGXAKJX-ZWKOTPCHSA-N 2 1 347.507 1.565 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CCC[N@H+]1CCCO ZINC000994493472 696933787 /nfs/dbraw/zinc/93/37/87/696933787.db2.gz DGLXBBJBWXTVQR-QAPCUYQASA-N 2 1 333.476 1.713 20 0 EDADMP C[C@H]1[C@H](NC(=O)Cn2ccnc2)CCC[N@H+]1CCOc1ccccc1 ZINC000994505729 696949299 /nfs/dbraw/zinc/94/92/99/696949299.db2.gz KIMRVYFWTCLBIW-FUHWJXTLSA-N 2 1 342.443 1.931 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)c2ccccc2F)C1 ZINC001031576594 697271991 /nfs/dbraw/zinc/27/19/91/697271991.db2.gz AZRZIISAXRBTMH-IRXDYDNUSA-N 2 1 335.423 1.001 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)c2ccccc2F)C1 ZINC001031576594 697271992 /nfs/dbraw/zinc/27/19/92/697271992.db2.gz AZRZIISAXRBTMH-IRXDYDNUSA-N 2 1 335.423 1.001 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C3CC3)C2)C1 ZINC001031596141 697295470 /nfs/dbraw/zinc/29/54/70/697295470.db2.gz HFTQVCUQQFPWEY-LJQANCHMSA-N 2 1 343.471 1.443 20 0 EDADMP C[NH+]1CCC(NC(=S)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000920309648 697419491 /nfs/dbraw/zinc/41/94/91/697419491.db2.gz JKJXRXMCALPFFC-INIZCTEOSA-N 2 1 340.537 1.142 20 0 EDADMP CC1(C)CC(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001031688240 697522680 /nfs/dbraw/zinc/52/26/80/697522680.db2.gz BCSRMMRPJXJGFK-IRXDYDNUSA-N 2 1 335.492 1.334 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000921181580 697525813 /nfs/dbraw/zinc/52/58/13/697525813.db2.gz RVIKINWEMHUBKO-HUUCEWRRSA-N 2 1 328.526 1.597 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921181580 697525815 /nfs/dbraw/zinc/52/58/15/697525815.db2.gz RVIKINWEMHUBKO-HUUCEWRRSA-N 2 1 328.526 1.597 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921181580 697525817 /nfs/dbraw/zinc/52/58/17/697525817.db2.gz RVIKINWEMHUBKO-HUUCEWRRSA-N 2 1 328.526 1.597 20 0 EDADMP O=C(NCC1C[NH+](CC2=CCCCC2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031689342 697531014 /nfs/dbraw/zinc/53/10/14/697531014.db2.gz TXDKJHMRVIRNCZ-MSOLQXFVSA-N 2 1 333.476 1.398 20 0 EDADMP CO[C@H](C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1)C1CCC1 ZINC001031744975 698350278 /nfs/dbraw/zinc/35/02/78/698350278.db2.gz ZEHGBFGPJZHMJL-BFYDXBDKSA-N 2 1 332.448 1.376 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1 ZINC000940110293 700223875 /nfs/dbraw/zinc/22/38/75/700223875.db2.gz WBGXORIKQQBTTF-INIZCTEOSA-N 2 1 347.507 1.764 20 0 EDADMP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000940111729 700226106 /nfs/dbraw/zinc/22/61/06/700226106.db2.gz NYOGQJVDIBIDKY-GDBMZVCRSA-N 2 1 347.463 1.415 20 0 EDADMP C#CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CCCCC1 ZINC000068334493 698507037 /nfs/dbraw/zinc/50/70/37/698507037.db2.gz JGITWJGKEIOEKA-IBGZPJMESA-N 2 1 349.519 1.727 20 0 EDADMP C#CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CCCCC1 ZINC000068334493 698507040 /nfs/dbraw/zinc/50/70/40/698507040.db2.gz JGITWJGKEIOEKA-IBGZPJMESA-N 2 1 349.519 1.727 20 0 EDADMP C#CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CCCCC1 ZINC000068334493 698507041 /nfs/dbraw/zinc/50/70/41/698507041.db2.gz JGITWJGKEIOEKA-IBGZPJMESA-N 2 1 349.519 1.727 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000940117426 700250000 /nfs/dbraw/zinc/25/00/00/700250000.db2.gz RYVZYABAMZYKIC-CZUORRHYSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nc1 ZINC000940120326 700253663 /nfs/dbraw/zinc/25/36/63/700253663.db2.gz NAGFLBZSEUMIRF-HZPDHXFCSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)oc1C ZINC000939053947 699114038 /nfs/dbraw/zinc/11/40/38/699114038.db2.gz BULZZFIVPUCZJU-LRDDRELGSA-N 2 1 334.464 1.570 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1NCc1nncs1 ZINC000939137577 699224812 /nfs/dbraw/zinc/22/48/12/699224812.db2.gz KNHAMSDELCDFMM-STQMWFEESA-N 2 1 337.493 1.207 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1nncs1 ZINC000939137577 699224817 /nfs/dbraw/zinc/22/48/17/699224817.db2.gz KNHAMSDELCDFMM-STQMWFEESA-N 2 1 337.493 1.207 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cncn2C)C1 ZINC000939236549 699405431 /nfs/dbraw/zinc/40/54/31/699405431.db2.gz QEYPSHWIVPDZHK-GOEBONIOSA-N 2 1 344.463 1.377 20 0 EDADMP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CCc1ccccc1 ZINC000939312873 699487433 /nfs/dbraw/zinc/48/74/33/699487433.db2.gz FKMOPQRARIXAAW-PKOBYXMFSA-N 2 1 345.487 1.388 20 0 EDADMP Cc1cncc(C[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001031813177 699497405 /nfs/dbraw/zinc/49/74/05/699497405.db2.gz OTKMSUCKHJDVFA-UHFFFAOYSA-N 2 1 328.460 1.566 20 0 EDADMP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000939319159 699497589 /nfs/dbraw/zinc/49/75/89/699497589.db2.gz GBUMRUMJQABZCZ-WMZOPIPTSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941676881 701615575 /nfs/dbraw/zinc/61/55/75/701615575.db2.gz GKRUPDYGPLJSET-IYBDPMFKSA-N 2 1 334.508 1.098 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)s1 ZINC000939750046 699897505 /nfs/dbraw/zinc/89/75/05/699897505.db2.gz XVEHUBRINYTEDZ-ABAIWWIYSA-N 2 1 347.488 1.902 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000939745088 699910302 /nfs/dbraw/zinc/91/03/02/699910302.db2.gz AAJXGAIMJYUWCP-BLLLJJGKSA-N 2 1 347.850 1.877 20 0 EDADMP CCc1nc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)cs1 ZINC000939760005 699927448 /nfs/dbraw/zinc/92/74/48/699927448.db2.gz UFQZEXNJWUTLDG-ZFWWWQNUSA-N 2 1 336.505 1.738 20 0 EDADMP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000940179075 700312717 /nfs/dbraw/zinc/31/27/17/700312717.db2.gz QRYGYXBGAHOIEC-OAHLLOKOSA-N 2 1 333.480 1.375 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000940296224 700467970 /nfs/dbraw/zinc/46/79/70/700467970.db2.gz GZJYGJHNYYCJCN-UHFFFAOYSA-N 2 1 349.479 1.445 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nccn3C)CC2)CC[N@H+]1C ZINC000940282056 700470738 /nfs/dbraw/zinc/47/07/38/700470738.db2.gz FWOKTESLWINKOV-HOTGVXAUSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1 ZINC000940329528 700508882 /nfs/dbraw/zinc/50/88/82/700508882.db2.gz VEECTIMIDMIRHA-GXTWGEPZSA-N 2 1 337.493 1.207 20 0 EDADMP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000940329666 700509095 /nfs/dbraw/zinc/50/90/95/700509095.db2.gz WIJLAIBZQSNQDN-CQSZACIVSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940329622 700509105 /nfs/dbraw/zinc/50/91/05/700509105.db2.gz WDQXNVQHRRZMSM-CABCVRRESA-N 2 1 331.464 1.145 20 0 EDADMP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000940329882 700509461 /nfs/dbraw/zinc/50/94/61/700509461.db2.gz ZEFUMMKYZOGIBG-OAHLLOKOSA-N 2 1 345.491 1.740 20 0 EDADMP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000940373130 700555912 /nfs/dbraw/zinc/55/59/12/700555912.db2.gz FDALFWUXHPRWTC-CVEARBPZSA-N 2 1 347.463 1.557 20 0 EDADMP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000940472372 700657885 /nfs/dbraw/zinc/65/78/85/700657885.db2.gz UVEIICYHNFOJAX-OKILXGFUSA-N 2 1 349.479 1.722 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940457440 700660794 /nfs/dbraw/zinc/66/07/94/700660794.db2.gz FZPCTDCHBDMJDN-CYBMUJFWSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940457440 700660795 /nfs/dbraw/zinc/66/07/95/700660795.db2.gz FZPCTDCHBDMJDN-CYBMUJFWSA-N 2 1 335.452 1.054 20 0 EDADMP CC(C)n1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC000940461764 700664925 /nfs/dbraw/zinc/66/49/25/700664925.db2.gz JQMBJZIUNSRDGH-HNNXBMFYSA-N 2 1 348.495 1.281 20 0 EDADMP Cc1ncsc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000940461953 700665449 /nfs/dbraw/zinc/66/54/49/700665449.db2.gz SREBINQYGCIUEL-AWEZNQCLSA-N 2 1 336.505 1.874 20 0 EDADMP CC[C@H](C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1)[NH+](C)C ZINC000940481381 700669276 /nfs/dbraw/zinc/66/92/76/700669276.db2.gz HBSZFGTUPUAHFJ-HUUCEWRRSA-N 2 1 349.479 1.064 20 0 EDADMP CC1(C)C[N@@H+](CCCF)CC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000940745738 700872185 /nfs/dbraw/zinc/87/21/85/700872185.db2.gz TXCWPZGZOLLCTC-JKSUJKDBSA-N 2 1 325.472 1.905 20 0 EDADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C)[NH+]1CCCCC1 ZINC000940746856 700873006 /nfs/dbraw/zinc/87/30/06/700873006.db2.gz CIHZAVCNXHZMQP-MRXNPFEDSA-N 2 1 339.524 1.850 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940798526 700916298 /nfs/dbraw/zinc/91/62/98/700916298.db2.gz IBPHQUIMGUFXBX-HOTGVXAUSA-N 2 1 325.497 1.173 20 0 EDADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCO)CC2(C)C)C1 ZINC000940798526 700916300 /nfs/dbraw/zinc/91/63/00/700916300.db2.gz IBPHQUIMGUFXBX-HOTGVXAUSA-N 2 1 325.497 1.173 20 0 EDADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCO)CC2(C)C)C1 ZINC000940798526 700916302 /nfs/dbraw/zinc/91/63/02/700916302.db2.gz IBPHQUIMGUFXBX-HOTGVXAUSA-N 2 1 325.497 1.173 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940830971 700930691 /nfs/dbraw/zinc/93/06/91/700930691.db2.gz BAFWZBQFONVNKL-INIZCTEOSA-N 2 1 337.508 1.726 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940863902 700946207 /nfs/dbraw/zinc/94/62/07/700946207.db2.gz HKWZXPUJSLVDNC-JKSUJKDBSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC000995111265 700993554 /nfs/dbraw/zinc/99/35/54/700993554.db2.gz IZWKIUZUDSHRBY-HOTGVXAUSA-N 2 1 349.479 1.484 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3nc[nH]c32)C(C)(C)C1 ZINC000941023025 701063194 /nfs/dbraw/zinc/06/31/94/701063194.db2.gz ZNDFFEWKZUAPGO-DZGCQCFKSA-N 2 1 334.464 1.693 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)Cn3ccnc3)[C@H](C)C2)o1 ZINC000945806354 701196247 /nfs/dbraw/zinc/19/62/47/701196247.db2.gz CXNZRQGTMTWZFA-DOMZBBRYSA-N 2 1 331.420 1.515 20 0 EDADMP Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941163098 701228048 /nfs/dbraw/zinc/22/80/48/701228048.db2.gz HDFZWZGYEJJFPP-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941163098 701228050 /nfs/dbraw/zinc/22/80/50/701228050.db2.gz HDFZWZGYEJJFPP-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1ccc(C[NH+]2CC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC000941163098 701228052 /nfs/dbraw/zinc/22/80/52/701228052.db2.gz HDFZWZGYEJJFPP-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1ccc(C[NH+]2CC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC000941163098 701228054 /nfs/dbraw/zinc/22/80/54/701228054.db2.gz HDFZWZGYEJJFPP-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941218191 701408838 /nfs/dbraw/zinc/40/88/38/701408838.db2.gz WZAPCQWKUQEYGP-CVEARBPZSA-N 2 1 333.480 1.089 20 0 EDADMP Cn1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)cn1 ZINC000941218191 701408839 /nfs/dbraw/zinc/40/88/39/701408839.db2.gz WZAPCQWKUQEYGP-CVEARBPZSA-N 2 1 333.480 1.089 20 0 EDADMP Cn1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)cn1 ZINC000941218191 701408841 /nfs/dbraw/zinc/40/88/41/701408841.db2.gz WZAPCQWKUQEYGP-CVEARBPZSA-N 2 1 333.480 1.089 20 0 EDADMP Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221032 701411482 /nfs/dbraw/zinc/41/14/82/701411482.db2.gz KNYGFMGQKLBMAY-MRXNPFEDSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cn3ccnc3C)C(C)(C)C2)o1 ZINC000941224505 701414532 /nfs/dbraw/zinc/41/45/32/701414532.db2.gz WILAJUQSKDZGLB-INIZCTEOSA-N 2 1 345.447 1.905 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CC(C)(C)C3)C2)CC1 ZINC000941345316 701480874 /nfs/dbraw/zinc/48/08/74/701480874.db2.gz RMYIFBAYRLVWJR-SFHVURJKSA-N 2 1 348.535 1.345 20 0 EDADMP CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941436945 701540087 /nfs/dbraw/zinc/54/00/87/701540087.db2.gz MCOYMNCWLXBTFL-KRWDZBQOSA-N 2 1 345.491 1.389 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)co1 ZINC000999175010 706606858 /nfs/dbraw/zinc/60/68/58/706606858.db2.gz SKXNGFCEKLZHDU-NVXWUHKLSA-N 2 1 332.448 1.405 20 0 EDADMP Cn1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)cn1 ZINC001032129057 701807784 /nfs/dbraw/zinc/80/77/84/701807784.db2.gz PQNNQQAAVOLVON-DLBZAZTESA-N 2 1 333.480 1.089 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCOC1 ZINC001032657928 706621810 /nfs/dbraw/zinc/62/18/10/706621810.db2.gz JBINGQLKEAHIAC-JYJNAYRXSA-N 2 1 332.448 1.328 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCOC1 ZINC001032657928 706621813 /nfs/dbraw/zinc/62/18/13/706621813.db2.gz JBINGQLKEAHIAC-JYJNAYRXSA-N 2 1 332.448 1.328 20 0 EDADMP CCc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](CC)CCO3)C2)c1 ZINC001032202237 701917810 /nfs/dbraw/zinc/91/78/10/701917810.db2.gz PJZOMFMMAZBTTK-LJQANCHMSA-N 2 1 345.487 1.518 20 0 EDADMP CCc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)c1 ZINC001032202237 701917815 /nfs/dbraw/zinc/91/78/15/701917815.db2.gz PJZOMFMMAZBTTK-LJQANCHMSA-N 2 1 345.487 1.518 20 0 EDADMP Cc1ncsc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999190818 706633580 /nfs/dbraw/zinc/63/35/80/706633580.db2.gz UKXYDTPNTSSLAW-QLFBSQMISA-N 2 1 336.505 1.872 20 0 EDADMP COc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000999191377 706633992 /nfs/dbraw/zinc/63/39/92/706633992.db2.gz XYVCMJKHCUGHHZ-IIDMSEBBSA-N 2 1 346.475 1.511 20 0 EDADMP Cc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031977539 702023976 /nfs/dbraw/zinc/02/39/76/702023976.db2.gz CQPITPPVYRGGJU-KDOFPFPSSA-N 2 1 333.451 1.880 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1C[NH+](C[C@@H]3CCCCO3)C1)C2 ZINC001031977509 702024011 /nfs/dbraw/zinc/02/40/11/702024011.db2.gz CGKFJQPWZOZHRO-WMZOPIPTSA-N 2 1 346.475 1.371 20 0 EDADMP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995825532 702097255 /nfs/dbraw/zinc/09/72/55/702097255.db2.gz NURQLPCCPLMVJT-FRFSOERESA-N 2 1 348.491 1.904 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995870446 702173455 /nfs/dbraw/zinc/17/34/55/702173455.db2.gz IQHLSPKNLGVYPF-CVEARBPZSA-N 2 1 334.464 1.876 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995870446 702173457 /nfs/dbraw/zinc/17/34/57/702173457.db2.gz IQHLSPKNLGVYPF-CVEARBPZSA-N 2 1 334.464 1.876 20 0 EDADMP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)o1 ZINC000995894561 702196539 /nfs/dbraw/zinc/19/65/39/702196539.db2.gz KFSMYXMGCWYFKE-NVXWUHKLSA-N 2 1 348.491 1.904 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)cn1 ZINC000995916852 702278270 /nfs/dbraw/zinc/27/82/70/702278270.db2.gz KSJGSUAXYKOCSI-KRWDZBQOSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995916751 702278297 /nfs/dbraw/zinc/27/82/97/702278297.db2.gz JWCMJWDGSWLWHJ-QGZVFWFLSA-N 2 1 347.507 1.539 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC001015929922 702319977 /nfs/dbraw/zinc/31/99/77/702319977.db2.gz FMXWCJUVWCZDNP-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000995973024 702358246 /nfs/dbraw/zinc/35/82/46/702358246.db2.gz FQZAHLIQWNGPIP-KBPBESRZSA-N 2 1 337.493 1.349 20 0 EDADMP CCc1noc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995209267 702674538 /nfs/dbraw/zinc/67/45/38/702674538.db2.gz JHYXLPQVMCOLJW-UONOGXRCSA-N 2 1 335.452 1.102 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)CC1 ZINC000183833241 702681518 /nfs/dbraw/zinc/68/15/18/702681518.db2.gz IYPBPJTWJFMNPP-CVEARBPZSA-N 2 1 339.480 1.014 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C3(C)OCCO3)C2)CC1 ZINC000183833241 702681521 /nfs/dbraw/zinc/68/15/21/702681521.db2.gz IYPBPJTWJFMNPP-CVEARBPZSA-N 2 1 339.480 1.014 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cncn3C)C(C)(C)C2)C1 ZINC000996293003 702685030 /nfs/dbraw/zinc/68/50/30/702685030.db2.gz AEFCBTRPPDQPIA-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000996299717 702690512 /nfs/dbraw/zinc/69/05/12/702690512.db2.gz CXUNPDZEBJCDJQ-KGLIPLIRSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000996299717 702690514 /nfs/dbraw/zinc/69/05/14/702690514.db2.gz CXUNPDZEBJCDJQ-KGLIPLIRSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)o1 ZINC000996300425 702691842 /nfs/dbraw/zinc/69/18/42/702691842.db2.gz MEBGOKYWUPLJJG-CJNGLKHVSA-N 2 1 334.464 1.794 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1 ZINC000996301976 702694163 /nfs/dbraw/zinc/69/41/63/702694163.db2.gz VRKJZXFJNQVFGX-NVXWUHKLSA-N 2 1 347.507 1.274 20 0 EDADMP C[C@H](C(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1)[NH+]1CCCCCC1 ZINC000996380303 702746049 /nfs/dbraw/zinc/74/60/49/702746049.db2.gz QVILDJSFZMESNF-ZBFHGGJFSA-N 2 1 349.479 1.661 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996381820 702747306 /nfs/dbraw/zinc/74/73/06/702747306.db2.gz ZTSVSOMJIKDZAM-CVEARBPZSA-N 2 1 349.479 1.659 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996381820 702747308 /nfs/dbraw/zinc/74/73/08/702747308.db2.gz ZTSVSOMJIKDZAM-CVEARBPZSA-N 2 1 349.479 1.659 20 0 EDADMP C[C@H]1C[N@@H+](CCn2cccn2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256970 702748126 /nfs/dbraw/zinc/74/81/26/702748126.db2.gz IVBXYEWEDHYQOI-DLBZAZTESA-N 2 1 345.491 1.338 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC2(C)C)[nH]1 ZINC000996385881 702749877 /nfs/dbraw/zinc/74/98/77/702749877.db2.gz LXCLGYRVKJRWLG-HNNXBMFYSA-N 2 1 348.495 1.172 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCOC)CC2 ZINC001040952972 702779180 /nfs/dbraw/zinc/77/91/80/702779180.db2.gz HJQWBSBPSDHVKX-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)C1 ZINC000996516527 702852077 /nfs/dbraw/zinc/85/20/77/702852077.db2.gz APWBVCULRXGLLN-GJZGRUSLSA-N 2 1 331.464 1.145 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)C1 ZINC000996516527 702852079 /nfs/dbraw/zinc/85/20/79/702852079.db2.gz APWBVCULRXGLLN-GJZGRUSLSA-N 2 1 331.464 1.145 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996616870 702924179 /nfs/dbraw/zinc/92/41/79/702924179.db2.gz UQKFWTRZHLJUSI-IAGOWNOFSA-N 2 1 347.507 1.278 20 0 EDADMP CC1(C)CC(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000996618353 702925073 /nfs/dbraw/zinc/92/50/73/702925073.db2.gz FLFWVMOXAMRKJI-ROUUACIJSA-N 2 1 349.519 1.866 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996623060 702928327 /nfs/dbraw/zinc/92/83/27/702928327.db2.gz UZOUCYYDFJSWQX-MSOLQXFVSA-N 2 1 344.459 1.025 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnnn2CC)CC1 ZINC000996659956 702957148 /nfs/dbraw/zinc/95/71/48/702957148.db2.gz HHBYNTKKDVGBPT-QGZVFWFLSA-N 2 1 348.495 1.253 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996669519 702971078 /nfs/dbraw/zinc/97/10/78/702971078.db2.gz GPIVLIUXCZONJY-DLBZAZTESA-N 2 1 347.507 1.621 20 0 EDADMP Cc1ccc(OCCN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001032315118 702973723 /nfs/dbraw/zinc/97/37/23/702973723.db2.gz AWWYHNRSUVFADW-JENIJYKNSA-N 2 1 343.471 1.753 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996691978 702988591 /nfs/dbraw/zinc/98/85/91/702988591.db2.gz UTBRODHHMBRYJB-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000996717518 703011419 /nfs/dbraw/zinc/01/14/19/703011419.db2.gz AYZRWNKYYQPQRC-HIFRSBDPSA-N 2 1 349.479 1.758 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000996717518 703011422 /nfs/dbraw/zinc/01/14/22/703011422.db2.gz AYZRWNKYYQPQRC-HIFRSBDPSA-N 2 1 349.479 1.758 20 0 EDADMP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000996718341 703012345 /nfs/dbraw/zinc/01/23/45/703012345.db2.gz NMDAJLHFUDIMLJ-WMZOPIPTSA-N 2 1 345.491 1.518 20 0 EDADMP Cc1cncn1CC(=O)N[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C[C@@H]1C ZINC000942518343 703013326 /nfs/dbraw/zinc/01/33/26/703013326.db2.gz QNMHIDJDIGNDNR-SUMWQHHRSA-N 2 1 344.463 1.260 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C[C@@H]1C ZINC000942518343 703013332 /nfs/dbraw/zinc/01/33/32/703013332.db2.gz QNMHIDJDIGNDNR-SUMWQHHRSA-N 2 1 344.463 1.260 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000996727141 703021905 /nfs/dbraw/zinc/02/19/05/703021905.db2.gz DTSZPUFOFGMDMP-INIZCTEOSA-N 2 1 348.495 1.424 20 0 EDADMP COc1nccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000996727136 703022124 /nfs/dbraw/zinc/02/21/24/703022124.db2.gz DSGZBGMGGIZXRG-INIZCTEOSA-N 2 1 347.463 1.050 20 0 EDADMP C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC000942530224 703031299 /nfs/dbraw/zinc/03/12/99/703031299.db2.gz PYPUTSPPGQFRQJ-VQIMIIECSA-N 2 1 347.503 1.613 20 0 EDADMP C[C@@H]1C[N@@H+](CCn2cccn2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942558586 703063114 /nfs/dbraw/zinc/06/31/14/703063114.db2.gz YSINGMLYRRGNHZ-SJORKVTESA-N 2 1 347.507 1.584 20 0 EDADMP C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942554989 703068001 /nfs/dbraw/zinc/06/80/01/703068001.db2.gz BTNVZEYQYWCLEZ-HOCLYGCPSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942554989 703068003 /nfs/dbraw/zinc/06/80/03/703068003.db2.gz BTNVZEYQYWCLEZ-HOCLYGCPSA-N 2 1 348.495 1.016 20 0 EDADMP CCN1CC[NH+](C2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000996789978 703082488 /nfs/dbraw/zinc/08/24/88/703082488.db2.gz TXMHOBBGKGPXND-AOCRQIFASA-N 2 1 336.524 1.536 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)s1 ZINC000996799520 703085468 /nfs/dbraw/zinc/08/54/68/703085468.db2.gz UUBJKKGTXFUELL-UHFFFAOYSA-N 2 1 333.461 1.737 20 0 EDADMP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032042742 703206089 /nfs/dbraw/zinc/20/60/89/703206089.db2.gz IPIGMONLRVSZKA-RDJZCZTQSA-N 2 1 348.516 1.751 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000996945282 703214121 /nfs/dbraw/zinc/21/41/21/703214121.db2.gz HJGASLNDJPGOQY-UHFFFAOYSA-N 2 1 349.479 1.445 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000996998341 703255329 /nfs/dbraw/zinc/25/53/29/703255329.db2.gz IKDOGCOFASIGPK-AWEZNQCLSA-N 2 1 336.505 1.751 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1)c1ncccn1 ZINC000996999006 703255834 /nfs/dbraw/zinc/25/58/34/703255834.db2.gz LLGVOIQAIHRVPB-HNNXBMFYSA-N 2 1 345.491 1.850 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000996996936 703260418 /nfs/dbraw/zinc/26/04/18/703260418.db2.gz CDDMRDOULBCWDX-HNNXBMFYSA-N 2 1 333.480 1.028 20 0 EDADMP Cc1ncsc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000997006338 703263301 /nfs/dbraw/zinc/26/33/01/703263301.db2.gz KZCMIBBKDAHSGB-CYBMUJFWSA-N 2 1 336.505 1.874 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1)c1csnn1 ZINC000997006221 703263556 /nfs/dbraw/zinc/26/35/56/703263556.db2.gz KINGJDSWQZJCNG-OLZOCXBDSA-N 2 1 337.493 1.522 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)o1 ZINC000997008471 703266493 /nfs/dbraw/zinc/26/64/93/703266493.db2.gz UWFMSLGBLGGQQH-UHFFFAOYSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)o1 ZINC000997008471 703266495 /nfs/dbraw/zinc/26/64/95/703266495.db2.gz UWFMSLGBLGGQQH-UHFFFAOYSA-N 2 1 335.452 1.191 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)ccn1 ZINC000997010687 703271029 /nfs/dbraw/zinc/27/10/29/703271029.db2.gz TUCFAHIVPOZHCZ-PBHICJAKSA-N 2 1 346.475 1.369 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000997012544 703272333 /nfs/dbraw/zinc/27/23/33/703272333.db2.gz XRQQEMPDULLUBB-YOEHRIQHSA-N 2 1 346.475 1.369 20 0 EDADMP CCCn1ncnc1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997181514 703466289 /nfs/dbraw/zinc/46/62/89/703466289.db2.gz BCPGHINHSYSVCK-OAHLLOKOSA-N 2 1 348.495 1.111 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC000997187126 703476604 /nfs/dbraw/zinc/47/66/04/703476604.db2.gz WPVMOFZXELWBOP-VQIMIIECSA-N 2 1 345.487 1.642 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000997261871 703540639 /nfs/dbraw/zinc/54/06/39/703540639.db2.gz UQTHKDKBCDPERE-SOLBZPMBSA-N 2 1 337.508 1.724 20 0 EDADMP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997298938 703556654 /nfs/dbraw/zinc/55/66/54/703556654.db2.gz STSLYPQQISZSHF-RHSMWYFYSA-N 2 1 348.491 1.617 20 0 EDADMP Cc1ncsc1CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997304919 703564296 /nfs/dbraw/zinc/56/42/96/703564296.db2.gz XYROAVDGPRUMGT-CQSZACIVSA-N 2 1 336.505 1.526 20 0 EDADMP CCc1noc([C@H](C)[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000997306308 703565043 /nfs/dbraw/zinc/56/50/43/703565043.db2.gz CIIQTWQXQPSMAR-ZDUSSCGKSA-N 2 1 335.452 1.369 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000997310660 703567488 /nfs/dbraw/zinc/56/74/88/703567488.db2.gz RGSDZFYOLSLKIU-UHFFFAOYSA-N 2 1 333.461 1.471 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC000997359700 703590175 /nfs/dbraw/zinc/59/01/75/703590175.db2.gz IQXJANPGWHBAPO-OKILXGFUSA-N 2 1 349.479 1.585 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC000997359700 703590176 /nfs/dbraw/zinc/59/01/76/703590176.db2.gz IQXJANPGWHBAPO-OKILXGFUSA-N 2 1 349.479 1.585 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nncn2C)CC1 ZINC000997366700 703600334 /nfs/dbraw/zinc/60/03/34/703600334.db2.gz JTPBUHZUVIDQJA-GOEBONIOSA-N 2 1 348.495 1.331 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000997419951 703669877 /nfs/dbraw/zinc/66/98/77/703669877.db2.gz FIZGBKVFTDZMSH-RHSMWYFYSA-N 2 1 348.466 1.889 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997419800 703669943 /nfs/dbraw/zinc/66/99/43/703669943.db2.gz COEDSMURVQLJST-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997419800 703669944 /nfs/dbraw/zinc/66/99/44/703669944.db2.gz COEDSMURVQLJST-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](OC)c1ccccc1)[NH+](C)C ZINC001032474794 703695617 /nfs/dbraw/zinc/69/56/17/703695617.db2.gz MQBUCSJUSRZBPA-OKYOBFRVSA-N 2 1 345.487 1.999 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](OC)c1ccccc1)[NH+](C)C ZINC001032474794 703695618 /nfs/dbraw/zinc/69/56/18/703695618.db2.gz MQBUCSJUSRZBPA-OKYOBFRVSA-N 2 1 345.487 1.999 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000997531603 703784275 /nfs/dbraw/zinc/78/42/75/703784275.db2.gz RMEFTQXYNFVUIB-QFBILLFUSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000997531603 703784277 /nfs/dbraw/zinc/78/42/77/703784277.db2.gz RMEFTQXYNFVUIB-QFBILLFUSA-N 2 1 345.487 1.734 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC000997614604 703914433 /nfs/dbraw/zinc/91/44/33/703914433.db2.gz RJCUXZKUUZVOOH-IUODEOHRSA-N 2 1 335.452 1.361 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)no1 ZINC000997614604 703914435 /nfs/dbraw/zinc/91/44/35/703914435.db2.gz RJCUXZKUUZVOOH-IUODEOHRSA-N 2 1 335.452 1.361 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997615482 703914899 /nfs/dbraw/zinc/91/48/99/703914899.db2.gz XGZGUXDXXHOWSX-RDJZCZTQSA-N 2 1 325.497 1.460 20 0 EDADMP CC[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1)OC ZINC001004209357 703951557 /nfs/dbraw/zinc/95/15/57/703951557.db2.gz SQVKCURSGIQGCN-SJORKVTESA-N 2 1 325.497 1.866 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)ncn1 ZINC000995550931 703954970 /nfs/dbraw/zinc/95/49/70/703954970.db2.gz KRMVTUUAZWKIPA-HOTGVXAUSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)s1 ZINC000995554463 703970251 /nfs/dbraw/zinc/97/02/51/703970251.db2.gz WZOJCNMCZFWLBJ-KGLIPLIRSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000999291339 706786371 /nfs/dbraw/zinc/78/63/71/706786371.db2.gz AOCMVXXMUHNZIY-MARRMLSSSA-N 2 1 347.507 1.538 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033080190 704145513 /nfs/dbraw/zinc/14/55/13/704145513.db2.gz FDVFXERSGMJNNJ-FUHWJXTLSA-N 2 1 335.492 1.430 20 0 EDADMP CCn1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC000999303544 706796951 /nfs/dbraw/zinc/79/69/51/706796951.db2.gz NWNDPWHBEJJLOL-JPQBHMHHSA-N 2 1 348.495 1.107 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCn2cccn2)CC1 ZINC001032711376 706797268 /nfs/dbraw/zinc/79/72/68/706797268.db2.gz SPBOLHZNSJPBAN-ROUUACIJSA-N 2 1 345.491 1.289 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCn2cccn2)CC1 ZINC001032711376 706797269 /nfs/dbraw/zinc/79/72/69/706797269.db2.gz SPBOLHZNSJPBAN-ROUUACIJSA-N 2 1 345.491 1.289 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CCCOC2)CC1 ZINC001032710722 706799464 /nfs/dbraw/zinc/79/94/64/706799464.db2.gz NPSGEBIXNDERNS-NEWSRXKRSA-N 2 1 349.519 1.819 20 0 EDADMP C[NH+]1CCC([NH2+]C[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000922786204 704342912 /nfs/dbraw/zinc/34/29/12/704342912.db2.gz OTNGULOUJKYZKH-QGZVFWFLSA-N 2 1 327.469 1.696 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCCF)CC2)C1 ZINC001004379583 704355016 /nfs/dbraw/zinc/35/50/16/704355016.db2.gz JVGTUSMRQRZQKI-DLBZAZTESA-N 2 1 341.471 1.380 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCCF)CC2)C1 ZINC001004379583 704355018 /nfs/dbraw/zinc/35/50/18/704355018.db2.gz JVGTUSMRQRZQKI-DLBZAZTESA-N 2 1 341.471 1.380 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CCCF)CC2)C1 ZINC001004379583 704355019 /nfs/dbraw/zinc/35/50/19/704355019.db2.gz JVGTUSMRQRZQKI-DLBZAZTESA-N 2 1 341.471 1.380 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CCCF)CC2)C1 ZINC001004379583 704355020 /nfs/dbraw/zinc/35/50/20/704355020.db2.gz JVGTUSMRQRZQKI-DLBZAZTESA-N 2 1 341.471 1.380 20 0 EDADMP CN(C)Cc1csc(CNC(=O)NCCCC[N@@H+](C)C2CC2)n1 ZINC000922808524 704384202 /nfs/dbraw/zinc/38/42/02/704384202.db2.gz BTVBCCIVGQBDLO-UHFFFAOYSA-N 2 1 339.509 1.878 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC000999309653 706812573 /nfs/dbraw/zinc/81/25/73/706812573.db2.gz VJMCYFRDJBQABV-WMZOPIPTSA-N 2 1 347.507 1.418 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000922851905 704438672 /nfs/dbraw/zinc/43/86/72/704438672.db2.gz CHQGMEYZFNBOHW-OAGGEKHMSA-N 2 1 340.537 1.597 20 0 EDADMP C[NH+]1CCC[C@H](CCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000922851905 704438674 /nfs/dbraw/zinc/43/86/74/704438674.db2.gz CHQGMEYZFNBOHW-OAGGEKHMSA-N 2 1 340.537 1.597 20 0 EDADMP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538931 704592498 /nfs/dbraw/zinc/59/24/98/704592498.db2.gz YZBQYFGKLNAETH-PVAVHDDUSA-N 2 1 331.460 1.070 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000997708289 704599536 /nfs/dbraw/zinc/59/95/36/704599536.db2.gz OOZJIBIXDJYXGT-RYQLBKOJSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000997820884 704739411 /nfs/dbraw/zinc/73/94/11/704739411.db2.gz KGUDHPTZGFNTAN-KRWDZBQOSA-N 2 1 348.495 1.018 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000997842371 704757563 /nfs/dbraw/zinc/75/75/63/704757563.db2.gz BXBYPDZVWFNVQZ-INIZCTEOSA-N 2 1 337.468 1.292 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc(CO)cc2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918446 704769607 /nfs/dbraw/zinc/76/96/07/704769607.db2.gz JCBXWTUIZYOTMJ-LPHOPBHVSA-N 2 1 345.487 1.601 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc(CO)cc2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918447 704769719 /nfs/dbraw/zinc/76/97/19/704769719.db2.gz JCBXWTUIZYOTMJ-QFBILLFUSA-N 2 1 345.487 1.601 20 0 EDADMP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000997860760 704771325 /nfs/dbraw/zinc/77/13/25/704771325.db2.gz CUFNEHIXFSWVSE-BBRMVZONSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997866319 704772894 /nfs/dbraw/zinc/77/28/94/704772894.db2.gz RZYGLBPVBNVOEQ-GOSISDBHSA-N 2 1 347.507 1.541 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000997865840 704773019 /nfs/dbraw/zinc/77/30/19/704773019.db2.gz ITHRIARMMCAULL-GOEBONIOSA-N 2 1 348.466 1.889 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccns2)CC1 ZINC000997869181 704774819 /nfs/dbraw/zinc/77/48/19/704774819.db2.gz ZCVVWFWXHMAPGD-DZGCQCFKSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944945326 704798220 /nfs/dbraw/zinc/79/82/20/704798220.db2.gz RDULMHBAMQAIHE-YOEHRIQHSA-N 2 1 334.439 1.643 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944945326 704798221 /nfs/dbraw/zinc/79/82/21/704798221.db2.gz RDULMHBAMQAIHE-YOEHRIQHSA-N 2 1 334.439 1.643 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)ccn1 ZINC000944945551 704798674 /nfs/dbraw/zinc/79/86/74/704798674.db2.gz SBYYNLLIMNHUJY-DOTOQJQBSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944964506 704832765 /nfs/dbraw/zinc/83/27/65/704832765.db2.gz IUEKDKZYPZYBEN-YVEFUNNKSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944964506 704832771 /nfs/dbraw/zinc/83/27/71/704832771.db2.gz IUEKDKZYPZYBEN-YVEFUNNKSA-N 2 1 345.447 1.823 20 0 EDADMP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H]1CC(C)(C)CO1 ZINC001032573587 704950397 /nfs/dbraw/zinc/95/03/97/704950397.db2.gz NLEHLSBTTALPPZ-QAETUUGQSA-N 2 1 335.492 1.571 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H]1CC(C)(C)CO1 ZINC001032573587 704950402 /nfs/dbraw/zinc/95/04/02/704950402.db2.gz NLEHLSBTTALPPZ-QAETUUGQSA-N 2 1 335.492 1.571 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CC(C)(C)CO1 ZINC001032573587 704950408 /nfs/dbraw/zinc/95/04/08/704950408.db2.gz NLEHLSBTTALPPZ-QAETUUGQSA-N 2 1 335.492 1.571 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CC(C)(C)CO1 ZINC001032573587 704950412 /nfs/dbraw/zinc/95/04/12/704950412.db2.gz NLEHLSBTTALPPZ-QAETUUGQSA-N 2 1 335.492 1.571 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000997913573 704974693 /nfs/dbraw/zinc/97/46/93/704974693.db2.gz BXANJSGDKBPMLA-WMZOPIPTSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000997913550 704974768 /nfs/dbraw/zinc/97/47/68/704974768.db2.gz BDAFADKFRTXZNS-WBVHZDCISA-N 2 1 334.464 1.587 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2cnc(C)s2)CC1 ZINC000997914833 704976968 /nfs/dbraw/zinc/97/69/68/704976968.db2.gz LDUZOMCYVVSRJQ-UHFFFAOYSA-N 2 1 347.488 1.985 20 0 EDADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997932342 705041693 /nfs/dbraw/zinc/04/16/93/705041693.db2.gz VKZIRJWBQPLMSR-TVRKMHQQSA-N 2 1 333.476 1.088 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2nccn2C)CC1 ZINC000997951802 705071974 /nfs/dbraw/zinc/07/19/74/705071974.db2.gz ZTWQNULQZLJLNW-SJORKVTESA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000997951802 705071977 /nfs/dbraw/zinc/07/19/77/705071977.db2.gz ZTWQNULQZLJLNW-SJORKVTESA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2nccn2C)CC1 ZINC000997951802 705071980 /nfs/dbraw/zinc/07/19/80/705071980.db2.gz ZTWQNULQZLJLNW-SJORKVTESA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2nccn2C)CC1 ZINC000997951802 705071983 /nfs/dbraw/zinc/07/19/83/705071983.db2.gz ZTWQNULQZLJLNW-SJORKVTESA-N 2 1 347.507 1.717 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC[C@@H]2CCOC2)CC[N@H+]1C ZINC001032587223 705104826 /nfs/dbraw/zinc/10/48/26/705104826.db2.gz QBUIJQPNDQZNOB-PJVZLEMVSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC[C@@H]2CCOC2)CC[NH+]1C ZINC001032587223 705104829 /nfs/dbraw/zinc/10/48/29/705104829.db2.gz QBUIJQPNDQZNOB-PJVZLEMVSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC[C@@H]2CCOC2)CC[NH+]1C ZINC001032587223 705104831 /nfs/dbraw/zinc/10/48/31/705104831.db2.gz QBUIJQPNDQZNOB-PJVZLEMVSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@@H]2CCOC2)CC[N@H+]1C ZINC001032587358 705113103 /nfs/dbraw/zinc/11/31/03/705113103.db2.gz VVABSABIFQHFGG-ADHGMGHFSA-N 2 1 335.492 1.428 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCOC2)CC[NH+]1C ZINC001032587358 705113104 /nfs/dbraw/zinc/11/31/04/705113104.db2.gz VVABSABIFQHFGG-ADHGMGHFSA-N 2 1 335.492 1.428 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCOC2)CC[NH+]1C ZINC001032587358 705113106 /nfs/dbraw/zinc/11/31/06/705113106.db2.gz VVABSABIFQHFGG-ADHGMGHFSA-N 2 1 335.492 1.428 20 0 EDADMP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000998079466 705297568 /nfs/dbraw/zinc/29/75/68/705297568.db2.gz PFPZYHPCXZTVOY-KDOFPFPSSA-N 2 1 347.507 1.254 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000998079819 705304867 /nfs/dbraw/zinc/30/48/67/705304867.db2.gz UALCVIHMFNUDIH-HIFRSBDPSA-N 2 1 349.479 1.158 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000998079819 705304870 /nfs/dbraw/zinc/30/48/70/705304870.db2.gz UALCVIHMFNUDIH-HIFRSBDPSA-N 2 1 349.479 1.158 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000998082088 705308616 /nfs/dbraw/zinc/30/86/16/705308616.db2.gz NNHQOZQBZLFGDJ-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP Cn1nccc1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998217650 705540421 /nfs/dbraw/zinc/54/04/21/705540421.db2.gz PLDHUYBULIXFJF-INIZCTEOSA-N 2 1 333.480 1.090 20 0 EDADMP CC(C)c1noc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000998268390 705644011 /nfs/dbraw/zinc/64/40/11/705644011.db2.gz FQVYMPVZMYZUFN-UHFFFAOYSA-N 2 1 349.479 1.617 20 0 EDADMP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC000998269914 705646849 /nfs/dbraw/zinc/64/68/49/705646849.db2.gz QVBONPFFFSVWQP-UHFFFAOYSA-N 2 1 345.447 1.825 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC000998269926 705647578 /nfs/dbraw/zinc/64/75/78/705647578.db2.gz RBBUNZXWMOFJQU-YOEHRIQHSA-N 2 1 334.464 1.587 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@@H]2CCCO2)C1 ZINC001032629477 705752024 /nfs/dbraw/zinc/75/20/24/705752024.db2.gz YHIKGQTVIYLQMA-ULQDDVLXSA-N 2 1 335.492 1.573 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCCO2)C1 ZINC001032629477 705752026 /nfs/dbraw/zinc/75/20/26/705752026.db2.gz YHIKGQTVIYLQMA-ULQDDVLXSA-N 2 1 335.492 1.573 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCCO2)C1 ZINC001032629477 705752028 /nfs/dbraw/zinc/75/20/28/705752028.db2.gz YHIKGQTVIYLQMA-ULQDDVLXSA-N 2 1 335.492 1.573 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000998547954 705982591 /nfs/dbraw/zinc/98/25/91/705982591.db2.gz CXOIJWNIVYNEER-YMAMQOFZSA-N 2 1 336.867 1.908 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000998719995 706151920 /nfs/dbraw/zinc/15/19/20/706151920.db2.gz HSUGOKDLNGHAAQ-CABCVRRESA-N 2 1 332.448 1.727 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000998719995 706151922 /nfs/dbraw/zinc/15/19/22/706151922.db2.gz HSUGOKDLNGHAAQ-CABCVRRESA-N 2 1 332.448 1.727 20 0 EDADMP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC000998725735 706160459 /nfs/dbraw/zinc/16/04/59/706160459.db2.gz XWNJNVRRBAWXOT-JKSUJKDBSA-N 2 1 332.448 1.265 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000998732346 706165101 /nfs/dbraw/zinc/16/51/01/706165101.db2.gz RSAVQSWPUDFNEZ-DLBZAZTESA-N 2 1 333.480 1.175 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000998762814 706200996 /nfs/dbraw/zinc/20/09/96/706200996.db2.gz HUTLROXOZZMQDK-YMAMQOFZSA-N 2 1 335.452 1.330 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000998762814 706200999 /nfs/dbraw/zinc/20/09/99/706200999.db2.gz HUTLROXOZZMQDK-YMAMQOFZSA-N 2 1 335.452 1.330 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cnc(C)nc3)C2)CC[N@H+]1C ZINC000998790791 706237509 /nfs/dbraw/zinc/23/75/09/706237509.db2.gz GBEPNPXASMKKCG-ZGUYJTEBSA-N 2 1 345.491 1.594 20 0 EDADMP Cc1nocc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518148 706550732 /nfs/dbraw/zinc/55/07/32/706550732.db2.gz OQERZOIVNGLGGD-JZXOWHBKSA-N 2 1 346.475 1.748 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999146084 706559977 /nfs/dbraw/zinc/55/99/77/706559977.db2.gz UWKWGBGMXMIHDU-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999363420 706876851 /nfs/dbraw/zinc/87/68/51/706876851.db2.gz HJEUYGMYORDGRT-QGZVFWFLSA-N 2 1 330.476 1.955 20 0 EDADMP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999406151 706915603 /nfs/dbraw/zinc/91/56/03/706915603.db2.gz KWVUGZLJNABONF-QQFBHYJXSA-N 2 1 333.480 1.466 20 0 EDADMP CCn1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC000999406203 706915725 /nfs/dbraw/zinc/91/57/25/706915725.db2.gz NKDWQFBQDMXAMM-JEYLPNPQSA-N 2 1 348.495 1.170 20 0 EDADMP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999406845 706916145 /nfs/dbraw/zinc/91/61/45/706916145.db2.gz SNRINFJFRSVWMU-IUDNXUCKSA-N 2 1 331.464 1.348 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)nc1 ZINC000999435119 706942485 /nfs/dbraw/zinc/94/24/85/706942485.db2.gz QIDIIGAUIWOHKH-RDJZCZTQSA-N 2 1 333.480 1.452 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000999506302 707003757 /nfs/dbraw/zinc/00/37/57/707003757.db2.gz PYNPBOWJHICDTN-BDVYOWHSSA-N 2 1 348.495 1.157 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000999506302 707003760 /nfs/dbraw/zinc/00/37/60/707003760.db2.gz PYNPBOWJHICDTN-BDVYOWHSSA-N 2 1 348.495 1.157 20 0 EDADMP Cn1cc(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC000999515139 707014578 /nfs/dbraw/zinc/01/45/78/707014578.db2.gz XRTKAQHDIWEFFO-SJORKVTESA-N 2 1 333.480 1.028 20 0 EDADMP CCn1ncc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000999597727 707100553 /nfs/dbraw/zinc/10/05/53/707100553.db2.gz HMKWEPJUKZQVIV-UHFFFAOYSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999598610 707101467 /nfs/dbraw/zinc/10/14/67/707101467.db2.gz VVDSIJBQCNLHJE-CQSZACIVSA-N 2 1 333.436 1.087 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038555402 707180312 /nfs/dbraw/zinc/18/03/12/707180312.db2.gz LWDHXMGJEVHRCV-WBVHZDCISA-N 2 1 333.476 1.630 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000999698937 707226415 /nfs/dbraw/zinc/22/64/15/707226415.db2.gz VDDPBQWNTTXFCY-HSBZDZAISA-N 2 1 347.463 1.368 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]2CC1)[NH+](C)C ZINC000946784695 707312056 /nfs/dbraw/zinc/31/20/56/707312056.db2.gz OTHZAPNEKRAKJB-JZXOWHBKSA-N 2 1 348.491 1.994 20 0 EDADMP CC[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)CC[C@@H]2C1)OC ZINC000946784843 707315892 /nfs/dbraw/zinc/31/58/92/707315892.db2.gz WZTRTQWRRUCYJJ-MHORFTMASA-N 2 1 339.524 1.922 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033276668 707341197 /nfs/dbraw/zinc/34/11/97/707341197.db2.gz DTBOSQHPSGHTRS-ZEVUXNIQSA-N 2 1 349.519 1.819 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033276668 707341201 /nfs/dbraw/zinc/34/12/01/707341201.db2.gz DTBOSQHPSGHTRS-ZEVUXNIQSA-N 2 1 349.519 1.819 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033276668 707341204 /nfs/dbraw/zinc/34/12/04/707341204.db2.gz DTBOSQHPSGHTRS-ZEVUXNIQSA-N 2 1 349.519 1.819 20 0 EDADMP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]([NH2+]Cc2ccon2)C1 ZINC000999794148 707365618 /nfs/dbraw/zinc/36/56/18/707365618.db2.gz SAXFMFDQMYNOAJ-DLBZAZTESA-N 2 1 332.448 1.630 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)[nH]1 ZINC000999788977 707406185 /nfs/dbraw/zinc/40/61/85/707406185.db2.gz DXWMFCCPTDBPDL-RDJZCZTQSA-N 2 1 346.479 1.068 20 0 EDADMP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033296618 707407134 /nfs/dbraw/zinc/40/71/34/707407134.db2.gz WPBSKPTXKMSUAD-PKOBYXMFSA-N 2 1 349.519 1.963 20 0 EDADMP Cc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001033199692 707452511 /nfs/dbraw/zinc/45/25/11/707452511.db2.gz WQNDXEJJZJGOHP-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001033199692 707452514 /nfs/dbraw/zinc/45/25/14/707452514.db2.gz WQNDXEJJZJGOHP-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001033199692 707452517 /nfs/dbraw/zinc/45/25/17/707452517.db2.gz WQNDXEJJZJGOHP-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001033199692 707452521 /nfs/dbraw/zinc/45/25/21/707452521.db2.gz WQNDXEJJZJGOHP-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nc3ccccc3o2)C1 ZINC000999828104 707456514 /nfs/dbraw/zinc/45/65/14/707456514.db2.gz CNVJABFOTJSWFO-NFOMZHRRSA-N 2 1 342.443 1.859 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033318628 707511349 /nfs/dbraw/zinc/51/13/49/707511349.db2.gz JRIXRBSPAXKKDM-MRXNPFEDSA-N 2 1 334.464 1.890 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033318628 707511352 /nfs/dbraw/zinc/51/13/52/707511352.db2.gz JRIXRBSPAXKKDM-MRXNPFEDSA-N 2 1 334.464 1.890 20 0 EDADMP C[C@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004878791 707550767 /nfs/dbraw/zinc/55/07/67/707550767.db2.gz QUECYVZYEADXIT-YJBOKZPZSA-N 2 1 347.507 1.764 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cncn3C)C2)C1 ZINC001033353634 707608740 /nfs/dbraw/zinc/60/87/40/707608740.db2.gz HYZFMBDJAXFIOU-SJORKVTESA-N 2 1 347.507 1.575 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cncn3C)C2)C1 ZINC001033353634 707608742 /nfs/dbraw/zinc/60/87/42/707608742.db2.gz HYZFMBDJAXFIOU-SJORKVTESA-N 2 1 347.507 1.575 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cncn3C)C2)C1 ZINC001033353634 707608746 /nfs/dbraw/zinc/60/87/46/707608746.db2.gz HYZFMBDJAXFIOU-SJORKVTESA-N 2 1 347.507 1.575 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cncn3C)C2)C1 ZINC001033353634 707608750 /nfs/dbraw/zinc/60/87/50/707608750.db2.gz HYZFMBDJAXFIOU-SJORKVTESA-N 2 1 347.507 1.575 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC001000018689 707644993 /nfs/dbraw/zinc/64/49/93/707644993.db2.gz CVVIXUKFHNZVFV-JCGIZDLHSA-N 2 1 345.491 1.596 20 0 EDADMP CCCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999989087 707663482 /nfs/dbraw/zinc/66/34/82/707663482.db2.gz ZOLGRFCKLRMFSY-HYVNUMGLSA-N 2 1 348.495 1.281 20 0 EDADMP CCCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999989087 707663487 /nfs/dbraw/zinc/66/34/87/707663487.db2.gz ZOLGRFCKLRMFSY-HYVNUMGLSA-N 2 1 348.495 1.281 20 0 EDADMP CCCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999989087 707663491 /nfs/dbraw/zinc/66/34/91/707663491.db2.gz ZOLGRFCKLRMFSY-HYVNUMGLSA-N 2 1 348.495 1.281 20 0 EDADMP CCc1nocc1CN1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033360331 707688102 /nfs/dbraw/zinc/68/81/02/707688102.db2.gz HTZMHTCDAWEUFZ-ZOBUZTSGSA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033360331 707688103 /nfs/dbraw/zinc/68/81/03/707688103.db2.gz HTZMHTCDAWEUFZ-ZOBUZTSGSA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033360331 707688106 /nfs/dbraw/zinc/68/81/06/707688106.db2.gz HTZMHTCDAWEUFZ-ZOBUZTSGSA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033360331 707688107 /nfs/dbraw/zinc/68/81/07/707688107.db2.gz HTZMHTCDAWEUFZ-ZOBUZTSGSA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033360331 707688109 /nfs/dbraw/zinc/68/81/09/707688109.db2.gz HTZMHTCDAWEUFZ-ZOBUZTSGSA-N 2 1 348.491 2.000 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033374086 707711918 /nfs/dbraw/zinc/71/19/18/707711918.db2.gz WMYLVCXOHAMNKC-HOCLYGCPSA-N 2 1 335.448 1.524 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033374086 707711920 /nfs/dbraw/zinc/71/19/20/707711920.db2.gz WMYLVCXOHAMNKC-HOCLYGCPSA-N 2 1 335.448 1.524 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033391497 707724058 /nfs/dbraw/zinc/72/40/58/707724058.db2.gz UAYZIFMTHACHKU-KRWDZBQOSA-N 2 1 346.475 1.465 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033391497 707724062 /nfs/dbraw/zinc/72/40/62/707724062.db2.gz UAYZIFMTHACHKU-KRWDZBQOSA-N 2 1 346.475 1.465 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391430 707767181 /nfs/dbraw/zinc/76/71/81/707767181.db2.gz RRSXTDXSLDWMQJ-SFHVURJKSA-N 2 1 330.476 1.765 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)o1 ZINC001033419699 707828747 /nfs/dbraw/zinc/82/87/47/707828747.db2.gz KUAFVOGMZLJIDF-GDBMZVCRSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)o1 ZINC001033419699 707828749 /nfs/dbraw/zinc/82/87/49/707828749.db2.gz KUAFVOGMZLJIDF-GDBMZVCRSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)o1 ZINC001033419699 707828754 /nfs/dbraw/zinc/82/87/54/707828754.db2.gz KUAFVOGMZLJIDF-GDBMZVCRSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)o1 ZINC001033419699 707828758 /nfs/dbraw/zinc/82/87/58/707828758.db2.gz KUAFVOGMZLJIDF-GDBMZVCRSA-N 2 1 348.491 1.920 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033226047 707865019 /nfs/dbraw/zinc/86/50/19/707865019.db2.gz NOQLCWJNOQVNDK-OAHLLOKOSA-N 2 1 348.516 1.847 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033440667 707870193 /nfs/dbraw/zinc/87/01/93/707870193.db2.gz SDXZXFAQYIVRIA-OTWHNJEPSA-N 2 1 345.487 1.247 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[C@H]1CC[NH+](CCCO)C1 ZINC001033440667 707870196 /nfs/dbraw/zinc/87/01/96/707870196.db2.gz SDXZXFAQYIVRIA-OTWHNJEPSA-N 2 1 345.487 1.247 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[C@H]1CC[NH+](CCCO)C1 ZINC001033440667 707870199 /nfs/dbraw/zinc/87/01/99/707870199.db2.gz SDXZXFAQYIVRIA-OTWHNJEPSA-N 2 1 345.487 1.247 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033471507 707934242 /nfs/dbraw/zinc/93/42/42/707934242.db2.gz KCKFKMRMROCSHZ-SFHVURJKSA-N 2 1 330.476 1.846 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc2c(c1)CCC2 ZINC001038094053 707948371 /nfs/dbraw/zinc/94/83/71/707948371.db2.gz AREDCLWWHLVUCA-OALUTQOASA-N 2 1 327.472 1.960 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc2c(c1)CCC2 ZINC001038094053 707948374 /nfs/dbraw/zinc/94/83/74/707948374.db2.gz AREDCLWWHLVUCA-OALUTQOASA-N 2 1 327.472 1.960 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC001038094053 707948377 /nfs/dbraw/zinc/94/83/77/707948377.db2.gz AREDCLWWHLVUCA-OALUTQOASA-N 2 1 327.472 1.960 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC001038094053 707948379 /nfs/dbraw/zinc/94/83/79/707948379.db2.gz AREDCLWWHLVUCA-OALUTQOASA-N 2 1 327.472 1.960 20 0 EDADMP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783760 707980942 /nfs/dbraw/zinc/98/09/42/707980942.db2.gz QBZZIIHHQYIKED-GJZGRUSLSA-N 2 1 334.489 1.375 20 0 EDADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783760 707980945 /nfs/dbraw/zinc/98/09/45/707980945.db2.gz QBZZIIHHQYIKED-GJZGRUSLSA-N 2 1 334.489 1.375 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](NCc2cc(C)on2)C1 ZINC001001003524 708081636 /nfs/dbraw/zinc/08/16/36/708081636.db2.gz SHCIMRQZJLQVAG-DOTOQJQBSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)on2)C1 ZINC001001003524 708081637 /nfs/dbraw/zinc/08/16/37/708081637.db2.gz SHCIMRQZJLQVAG-DOTOQJQBSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005185483 708118445 /nfs/dbraw/zinc/11/84/45/708118445.db2.gz RWZGPIFVKNTWQU-KRWDZBQOSA-N 2 1 331.464 1.302 20 0 EDADMP CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033539981 708196727 /nfs/dbraw/zinc/19/67/27/708196727.db2.gz NDUFEXPYUDWNRY-RHSMWYFYSA-N 2 1 343.431 1.449 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033539981 708196729 /nfs/dbraw/zinc/19/67/29/708196729.db2.gz NDUFEXPYUDWNRY-RHSMWYFYSA-N 2 1 343.431 1.449 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033574950 708249099 /nfs/dbraw/zinc/24/90/99/708249099.db2.gz NYYOVAPHRWKDDP-CRAIPNDOSA-N 2 1 337.508 1.676 20 0 EDADMP Cc1nc(CC[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001033591975 708289982 /nfs/dbraw/zinc/28/99/82/708289982.db2.gz DLXGPCVIVCGODY-INIZCTEOSA-N 2 1 348.516 1.623 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)nc(C)[nH+]1 ZINC001061029413 708354973 /nfs/dbraw/zinc/35/49/73/708354973.db2.gz QONHOZFSBWCIQY-INIZCTEOSA-N 2 1 343.475 1.982 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001833964 708360099 /nfs/dbraw/zinc/36/00/99/708360099.db2.gz NEWGRZYLAWUIBR-CXAGYDPISA-N 2 1 348.491 1.817 20 0 EDADMP CCn1cc(CC[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)cn1 ZINC001033670466 708460427 /nfs/dbraw/zinc/46/04/27/708460427.db2.gz VECRSMSOCRTRFP-QGZVFWFLSA-N 2 1 344.463 1.183 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)cn1 ZINC001033670466 708460429 /nfs/dbraw/zinc/46/04/29/708460429.db2.gz VECRSMSOCRTRFP-QGZVFWFLSA-N 2 1 344.463 1.183 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC001033658779 708469456 /nfs/dbraw/zinc/46/94/56/708469456.db2.gz UIZKTHFPPGITHP-KRWDZBQOSA-N 2 1 333.451 1.997 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033687102 708502288 /nfs/dbraw/zinc/50/22/88/708502288.db2.gz XWPXCWUQWRVUCQ-ROUUACIJSA-N 2 1 347.507 1.636 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033687102 708502291 /nfs/dbraw/zinc/50/22/91/708502291.db2.gz XWPXCWUQWRVUCQ-ROUUACIJSA-N 2 1 347.507 1.636 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001033687102 708502302 /nfs/dbraw/zinc/50/23/02/708502302.db2.gz XWPXCWUQWRVUCQ-ROUUACIJSA-N 2 1 347.507 1.636 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001033687102 708502305 /nfs/dbraw/zinc/50/23/05/708502305.db2.gz XWPXCWUQWRVUCQ-ROUUACIJSA-N 2 1 347.507 1.636 20 0 EDADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922892399 708507757 /nfs/dbraw/zinc/50/77/57/708507757.db2.gz PELKFNPKNDPAPZ-GOSISDBHSA-N 2 1 335.492 1.763 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CCOC)C2)o1 ZINC001033698894 708546311 /nfs/dbraw/zinc/54/63/11/708546311.db2.gz FDNIVEAKYRPBEU-OAHLLOKOSA-N 2 1 337.464 1.914 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccnc(OC)c2)C1 ZINC001033774917 708674687 /nfs/dbraw/zinc/67/46/87/708674687.db2.gz KVXZQYCJDFWJTN-SJORKVTESA-N 2 1 346.475 1.607 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccnc(OC)c2)C1 ZINC001033774917 708674690 /nfs/dbraw/zinc/67/46/90/708674690.db2.gz KVXZQYCJDFWJTN-SJORKVTESA-N 2 1 346.475 1.607 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccnc(OC)c2)C1 ZINC001033774917 708674691 /nfs/dbraw/zinc/67/46/91/708674691.db2.gz KVXZQYCJDFWJTN-SJORKVTESA-N 2 1 346.475 1.607 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccnc(OC)c2)C1 ZINC001033774917 708674694 /nfs/dbraw/zinc/67/46/94/708674694.db2.gz KVXZQYCJDFWJTN-SJORKVTESA-N 2 1 346.475 1.607 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2conc2C)C1 ZINC001033830940 708852567 /nfs/dbraw/zinc/85/25/67/708852567.db2.gz QBDWTGLUTYYYEQ-ROUUACIJSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2conc2C)C1 ZINC001033830940 708852570 /nfs/dbraw/zinc/85/25/70/708852570.db2.gz QBDWTGLUTYYYEQ-ROUUACIJSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033835639 708863165 /nfs/dbraw/zinc/86/31/65/708863165.db2.gz CBYPQHDBHJQTDR-KRWDZBQOSA-N 2 1 347.507 1.947 20 0 EDADMP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001033896592 709014709 /nfs/dbraw/zinc/01/47/09/709014709.db2.gz INITWESGDHGKSY-ZBFHGGJFSA-N 2 1 343.431 1.185 20 0 EDADMP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)cc1C ZINC001002537363 709094311 /nfs/dbraw/zinc/09/43/11/709094311.db2.gz WMCSFAMFCYTFBE-IBGZPJMESA-N 2 1 345.487 1.715 20 0 EDADMP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1C ZINC001002537363 709094313 /nfs/dbraw/zinc/09/43/13/709094313.db2.gz WMCSFAMFCYTFBE-IBGZPJMESA-N 2 1 345.487 1.715 20 0 EDADMP CCc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC001002536571 709094334 /nfs/dbraw/zinc/09/43/34/709094334.db2.gz SFMOLKDTJARMHG-LJQANCHMSA-N 2 1 345.487 1.660 20 0 EDADMP CCc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC001002536571 709094337 /nfs/dbraw/zinc/09/43/37/709094337.db2.gz SFMOLKDTJARMHG-LJQANCHMSA-N 2 1 345.487 1.660 20 0 EDADMP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033982593 709191390 /nfs/dbraw/zinc/19/13/90/709191390.db2.gz DVSSRGMIDISNQO-QGZVFWFLSA-N 2 1 335.496 1.637 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001034037361 709269611 /nfs/dbraw/zinc/26/96/11/709269611.db2.gz CIQKBSWGPZWBLV-JKSUJKDBSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001034037361 709269613 /nfs/dbraw/zinc/26/96/13/709269613.db2.gz CIQKBSWGPZWBLV-JKSUJKDBSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001034037361 709269615 /nfs/dbraw/zinc/26/96/15/709269615.db2.gz CIQKBSWGPZWBLV-JKSUJKDBSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001034037361 709269616 /nfs/dbraw/zinc/26/96/16/709269616.db2.gz CIQKBSWGPZWBLV-JKSUJKDBSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccnc2OC)C1 ZINC001034041390 709289898 /nfs/dbraw/zinc/28/98/98/709289898.db2.gz CUJPJWXRJCDAOQ-IRXDYDNUSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cccnc2OC)C1 ZINC001034041390 709289899 /nfs/dbraw/zinc/28/98/99/709289899.db2.gz CUJPJWXRJCDAOQ-IRXDYDNUSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cccnc2OC)C1 ZINC001034041390 709289901 /nfs/dbraw/zinc/28/99/01/709289901.db2.gz CUJPJWXRJCDAOQ-IRXDYDNUSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cccnc2OC)C1 ZINC001034041390 709289903 /nfs/dbraw/zinc/28/99/03/709289903.db2.gz CUJPJWXRJCDAOQ-IRXDYDNUSA-N 2 1 346.475 1.465 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)cn1 ZINC001002792583 709400649 /nfs/dbraw/zinc/40/06/49/709400649.db2.gz QTNNXDKUAOVTCQ-SFHVURJKSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)cn1 ZINC001002792583 709400650 /nfs/dbraw/zinc/40/06/50/709400650.db2.gz QTNNXDKUAOVTCQ-SFHVURJKSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002802207 709416642 /nfs/dbraw/zinc/41/66/42/709416642.db2.gz LQUMTLATQSEEHW-CRAIPNDOSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002802207 709416643 /nfs/dbraw/zinc/41/66/43/709416643.db2.gz LQUMTLATQSEEHW-CRAIPNDOSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1cnc([C@H](C)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)o1 ZINC001032830152 709465881 /nfs/dbraw/zinc/46/58/81/709465881.db2.gz IIWHCJXAYGADLG-TUUVXOQKSA-N 2 1 334.464 1.965 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034205241 709528341 /nfs/dbraw/zinc/52/83/41/709528341.db2.gz UTOWNTNXBHZKDC-ROUUACIJSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034205241 709528345 /nfs/dbraw/zinc/52/83/45/709528345.db2.gz UTOWNTNXBHZKDC-ROUUACIJSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cnn(C)c2)C1 ZINC001034205241 709528348 /nfs/dbraw/zinc/52/83/48/709528348.db2.gz UTOWNTNXBHZKDC-ROUUACIJSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001034205241 709528352 /nfs/dbraw/zinc/52/83/52/709528352.db2.gz UTOWNTNXBHZKDC-ROUUACIJSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CCn2cccn2)C1 ZINC001034308838 709749501 /nfs/dbraw/zinc/74/95/01/709749501.db2.gz GFBVSOZTGDHPDJ-INIZCTEOSA-N 2 1 330.436 1.059 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CCn2cccn2)C1 ZINC001034308838 709749503 /nfs/dbraw/zinc/74/95/03/709749503.db2.gz GFBVSOZTGDHPDJ-INIZCTEOSA-N 2 1 330.436 1.059 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](CC2CCC2)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321554 709771983 /nfs/dbraw/zinc/77/19/83/709771983.db2.gz UYIPZXCVDNEKAC-NRGCRIOASA-N 2 1 347.503 1.620 20 0 EDADMP O=C(N[C@H]1CCCC[NH+](CC2CCC2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001034321554 709771986 /nfs/dbraw/zinc/77/19/86/709771986.db2.gz UYIPZXCVDNEKAC-NRGCRIOASA-N 2 1 347.503 1.620 20 0 EDADMP O=C(N[C@H]1CCCC[NH+](CC2CCC2)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001034321554 709771989 /nfs/dbraw/zinc/77/19/89/709771989.db2.gz UYIPZXCVDNEKAC-NRGCRIOASA-N 2 1 347.503 1.620 20 0 EDADMP CO[C@H](C)C[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003011180 709783056 /nfs/dbraw/zinc/78/30/56/709783056.db2.gz NBBBVTNKBKBKGN-NVXWUHKLSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034331571 709786589 /nfs/dbraw/zinc/78/65/89/709786589.db2.gz TVKZFILRVKZJTD-SJLPKXTDSA-N 2 1 347.503 1.756 20 0 EDADMP CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](C[C@@H]2CCOC2)C1)[NH+]1CCCC1 ZINC001034339482 709801594 /nfs/dbraw/zinc/80/15/94/709801594.db2.gz GZPBATQIIFUXPJ-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000702810986 709856420 /nfs/dbraw/zinc/85/64/20/709856420.db2.gz XNSGCNPBHUWGBL-BBRMVZONSA-N 2 1 339.480 1.431 20 0 EDADMP COC[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)c2occc2CN(C)C)C1 ZINC001034364488 709883650 /nfs/dbraw/zinc/88/36/50/709883650.db2.gz KPTVAOMMZXZCQN-GOEBONIOSA-N 2 1 337.464 1.960 20 0 EDADMP COC[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364488 709883654 /nfs/dbraw/zinc/88/36/54/709883654.db2.gz KPTVAOMMZXZCQN-GOEBONIOSA-N 2 1 337.464 1.960 20 0 EDADMP CC[C@@H](C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)OC ZINC001034378023 709899115 /nfs/dbraw/zinc/89/91/15/709899115.db2.gz NRFCVDGURJCYIJ-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034400228 709943405 /nfs/dbraw/zinc/94/34/05/709943405.db2.gz XBRFZYJJSYUBFF-ZBFHGGJFSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034400228 709943408 /nfs/dbraw/zinc/94/34/08/709943408.db2.gz XBRFZYJJSYUBFF-ZBFHGGJFSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1ncoc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034400228 709943411 /nfs/dbraw/zinc/94/34/11/709943411.db2.gz XBRFZYJJSYUBFF-ZBFHGGJFSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034400228 709943415 /nfs/dbraw/zinc/94/34/15/709943415.db2.gz XBRFZYJJSYUBFF-ZBFHGGJFSA-N 2 1 334.464 1.938 20 0 EDADMP COC[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400253 709943521 /nfs/dbraw/zinc/94/35/21/709943521.db2.gz XEVDONHFWQVIFD-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP COC[C@H](C)[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034400253 709943524 /nfs/dbraw/zinc/94/35/24/709943524.db2.gz XEVDONHFWQVIFD-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP COC[C@H](C)[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034400253 709943528 /nfs/dbraw/zinc/94/35/28/709943528.db2.gz XEVDONHFWQVIFD-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CCCC[N@@H+](CC3CC3)C2)cn1 ZINC001034435238 710008427 /nfs/dbraw/zinc/00/84/27/710008427.db2.gz HYVKMPVJLORVFX-KRWDZBQOSA-N 2 1 333.480 1.439 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034489640 710106848 /nfs/dbraw/zinc/10/68/48/710106848.db2.gz HOJGSTYUUNXLIE-JKSUJKDBSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001034489640 710106851 /nfs/dbraw/zinc/10/68/51/710106851.db2.gz HOJGSTYUUNXLIE-JKSUJKDBSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034489640 710106856 /nfs/dbraw/zinc/10/68/56/710106856.db2.gz HOJGSTYUUNXLIE-JKSUJKDBSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034489640 710106860 /nfs/dbraw/zinc/10/68/60/710106860.db2.gz HOJGSTYUUNXLIE-JKSUJKDBSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nocc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034490047 710107957 /nfs/dbraw/zinc/10/79/57/710107957.db2.gz IHRCXMNYXLGKPR-WBVHZDCISA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nocc1C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034490047 710107960 /nfs/dbraw/zinc/10/79/60/710107960.db2.gz IHRCXMNYXLGKPR-WBVHZDCISA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nocc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034490047 710107962 /nfs/dbraw/zinc/10/79/62/710107962.db2.gz IHRCXMNYXLGKPR-WBVHZDCISA-N 2 1 334.464 1.796 20 0 EDADMP Cn1cc(CC[N@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034491391 710111413 /nfs/dbraw/zinc/11/14/13/710111413.db2.gz UDOWQDXJHXKJQR-FUHWJXTLSA-N 2 1 347.507 1.275 20 0 EDADMP Cn1cc(CC[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034491391 710111417 /nfs/dbraw/zinc/11/14/17/710111417.db2.gz UDOWQDXJHXKJQR-FUHWJXTLSA-N 2 1 347.507 1.275 20 0 EDADMP Cn1cc(CC[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034491391 710111420 /nfs/dbraw/zinc/11/14/20/710111420.db2.gz UDOWQDXJHXKJQR-FUHWJXTLSA-N 2 1 347.507 1.275 20 0 EDADMP Cc1nocc1C[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034487174 710133511 /nfs/dbraw/zinc/13/35/11/710133511.db2.gz MHXOEPDUGLCVQT-INIZCTEOSA-N 2 1 332.448 1.550 20 0 EDADMP Cc1nocc1C[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034487174 710133514 /nfs/dbraw/zinc/13/35/14/710133514.db2.gz MHXOEPDUGLCVQT-INIZCTEOSA-N 2 1 332.448 1.550 20 0 EDADMP COc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)on1 ZINC001034526668 710178780 /nfs/dbraw/zinc/17/87/80/710178780.db2.gz ZQNCQEVMRNNXBL-ZIAGYGMSSA-N 2 1 336.436 1.106 20 0 EDADMP COc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)on1 ZINC001034526668 710178784 /nfs/dbraw/zinc/17/87/84/710178784.db2.gz ZQNCQEVMRNNXBL-ZIAGYGMSSA-N 2 1 336.436 1.106 20 0 EDADMP COc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC001034526668 710178787 /nfs/dbraw/zinc/17/87/87/710178787.db2.gz ZQNCQEVMRNNXBL-ZIAGYGMSSA-N 2 1 336.436 1.106 20 0 EDADMP COc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001034526668 710178790 /nfs/dbraw/zinc/17/87/90/710178790.db2.gz ZQNCQEVMRNNXBL-ZIAGYGMSSA-N 2 1 336.436 1.106 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001034527781 710181296 /nfs/dbraw/zinc/18/12/96/710181296.db2.gz HXNUWUSPTLHTNI-ROUUACIJSA-N 2 1 337.508 1.870 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@@H+](CCc2ccns2)C1 ZINC001034528788 710182906 /nfs/dbraw/zinc/18/29/06/710182906.db2.gz RCYOLIPQDGIOBR-OAHLLOKOSA-N 2 1 336.505 1.752 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CCC(C)C)C2)C1 ZINC001034534125 710195767 /nfs/dbraw/zinc/19/57/67/710195767.db2.gz IAOMSMVCWMKDLH-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CCC(C)C)C2)C1 ZINC001034534125 710195770 /nfs/dbraw/zinc/19/57/70/710195770.db2.gz IAOMSMVCWMKDLH-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCC(C)C)C2)C1 ZINC001034534125 710195772 /nfs/dbraw/zinc/19/57/72/710195772.db2.gz IAOMSMVCWMKDLH-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC(C)C)C2)C1 ZINC001034534125 710195775 /nfs/dbraw/zinc/19/57/75/710195775.db2.gz IAOMSMVCWMKDLH-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000922161406 710221580 /nfs/dbraw/zinc/22/15/80/710221580.db2.gz AQOJFBCCBLWDGW-SFHVURJKSA-N 2 1 330.476 1.258 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2scnc2C)CC1 ZINC001003313278 710241718 /nfs/dbraw/zinc/24/17/18/710241718.db2.gz YOHOVLUPIOOTAC-UHFFFAOYSA-N 2 1 333.461 1.737 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1)c1ncccn1 ZINC001034607881 710264565 /nfs/dbraw/zinc/26/45/65/710264565.db2.gz UTSQPDBUKHUDCI-KLHDSHLOSA-N 2 1 331.464 1.649 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001034610803 710284835 /nfs/dbraw/zinc/28/48/35/710284835.db2.gz FHYOZPOXHNAQMU-ZOBUZTSGSA-N 2 1 334.464 1.848 20 0 EDADMP CCn1nnc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001034613300 710288320 /nfs/dbraw/zinc/28/83/20/710288320.db2.gz YWHRCRIWDFYPJO-BZUAXINKSA-N 2 1 348.495 1.218 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C(C)(C)[NH+]3CCCC3)CC2)ncn1 ZINC001003424560 710339782 /nfs/dbraw/zinc/33/97/82/710339782.db2.gz RHCDTSWUEAZXEG-UHFFFAOYSA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034658236 710342687 /nfs/dbraw/zinc/34/26/87/710342687.db2.gz BQYNNDNMSVRDRV-ULQDDVLXSA-N 2 1 345.491 1.868 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccnn3C)CC2)C1 ZINC001003482651 710376930 /nfs/dbraw/zinc/37/69/30/710376930.db2.gz JEKCNECAKOYELW-MRXNPFEDSA-N 2 1 347.507 1.623 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccnn3C)CC2)C1 ZINC001003482651 710376932 /nfs/dbraw/zinc/37/69/32/710376932.db2.gz JEKCNECAKOYELW-MRXNPFEDSA-N 2 1 347.507 1.623 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CCC3CCOCC3)CC2)C1 ZINC001003626438 710455531 /nfs/dbraw/zinc/45/55/31/710455531.db2.gz OUDPWDSNURBZOX-MRXNPFEDSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001003627982 710457843 /nfs/dbraw/zinc/45/78/43/710457843.db2.gz LBPGMKOFLVRTBF-ZFWWWQNUSA-N 2 1 345.434 1.476 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001003628431 710458136 /nfs/dbraw/zinc/45/81/36/710458136.db2.gz PNINWGVKKJYLBU-HNNXBMFYSA-N 2 1 333.480 1.028 20 0 EDADMP CC[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1)OC ZINC001003629545 710459428 /nfs/dbraw/zinc/45/94/28/710459428.db2.gz CBRBXMFULKUBQO-CRAIPNDOSA-N 2 1 348.491 1.760 20 0 EDADMP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003741780 710524329 /nfs/dbraw/zinc/52/43/29/710524329.db2.gz TZWNSWKRKUWUCC-CVEARBPZSA-N 2 1 338.496 1.094 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC001034674446 710622884 /nfs/dbraw/zinc/62/28/84/710622884.db2.gz PYRIRUBRVVYSFR-KKUMJFAQSA-N 2 1 334.468 1.114 20 0 EDADMP Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001034734257 710915608 /nfs/dbraw/zinc/91/56/08/710915608.db2.gz LRFOJLWWWHRXPV-OCVGTWLNSA-N 2 1 349.479 1.798 20 0 EDADMP Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001034734257 710915611 /nfs/dbraw/zinc/91/56/11/710915611.db2.gz LRFOJLWWWHRXPV-OCVGTWLNSA-N 2 1 349.479 1.798 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC001034734260 710915631 /nfs/dbraw/zinc/91/56/31/710915631.db2.gz LRFOJLWWWHRXPV-XRGAULLZSA-N 2 1 349.479 1.798 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC001034734260 710915635 /nfs/dbraw/zinc/91/56/35/710915635.db2.gz LRFOJLWWWHRXPV-XRGAULLZSA-N 2 1 349.479 1.798 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC001034734877 710917876 /nfs/dbraw/zinc/91/78/76/710917876.db2.gz BDLIXZYCVKWZLN-RBSFLKMASA-N 2 1 349.479 1.633 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC001034734877 710917881 /nfs/dbraw/zinc/91/78/81/710917881.db2.gz BDLIXZYCVKWZLN-RBSFLKMASA-N 2 1 349.479 1.633 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001034735303 710920382 /nfs/dbraw/zinc/92/03/82/710920382.db2.gz FAHMWIKEZYSSKS-BPLDGKMQSA-N 2 1 335.452 1.379 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC001034738832 710931679 /nfs/dbraw/zinc/93/16/79/710931679.db2.gz VYFJKWUBZUHITM-XRGAULLZSA-N 2 1 349.479 1.940 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001034738832 710931685 /nfs/dbraw/zinc/93/16/85/710931685.db2.gz VYFJKWUBZUHITM-XRGAULLZSA-N 2 1 349.479 1.940 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC001034737897 710951742 /nfs/dbraw/zinc/95/17/42/710951742.db2.gz ODNFTEATUYRQOT-RBSFLKMASA-N 2 1 349.479 1.633 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC001034737897 710951746 /nfs/dbraw/zinc/95/17/46/710951746.db2.gz ODNFTEATUYRQOT-RBSFLKMASA-N 2 1 349.479 1.633 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001034776680 711054141 /nfs/dbraw/zinc/05/41/41/711054141.db2.gz XIIZCFCZWJUCPD-KBAYOESNSA-N 2 1 345.491 1.644 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001034778392 711080394 /nfs/dbraw/zinc/08/03/94/711080394.db2.gz IMIRTHKTOWMQHC-RBSFLKMASA-N 2 1 335.452 1.237 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034778392 711080400 /nfs/dbraw/zinc/08/04/00/711080400.db2.gz IMIRTHKTOWMQHC-RBSFLKMASA-N 2 1 335.452 1.237 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC001034792138 711118493 /nfs/dbraw/zinc/11/84/93/711118493.db2.gz FXTFXLARZSZTCX-RBSFLKMASA-N 2 1 336.505 1.920 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC001034792410 711119358 /nfs/dbraw/zinc/11/93/58/711119358.db2.gz JCKDASCCRFSKPN-BZUAXINKSA-N 2 1 331.464 1.254 20 0 EDADMP CC(C)n1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034792367 711119563 /nfs/dbraw/zinc/11/95/63/711119563.db2.gz HEYQXHQYMAFMQF-ULQDDVLXSA-N 2 1 347.507 1.933 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCOCC3)CC2)C1 ZINC001034792666 711120171 /nfs/dbraw/zinc/12/01/71/711120171.db2.gz KEXBJWOSKYTCDP-BZSNNMDCSA-N 2 1 337.508 1.772 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c(C)o1 ZINC001034792733 711120706 /nfs/dbraw/zinc/12/07/06/711120706.db2.gz MXVITIPIAUKJPS-BZUAXINKSA-N 2 1 334.464 1.760 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)CC2)no1 ZINC001034793780 711124416 /nfs/dbraw/zinc/12/44/16/711124416.db2.gz RQKPGTPYOHGJPW-SHTZXODSSA-N 2 1 331.420 1.705 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034797059 711130002 /nfs/dbraw/zinc/13/00/02/711130002.db2.gz VDGYGZZRUGMUQT-ULQDDVLXSA-N 2 1 345.491 1.868 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)C1 ZINC001034798190 711133144 /nfs/dbraw/zinc/13/31/44/711133144.db2.gz ZPTNEFGGSBPGRP-BZSNNMDCSA-N 2 1 337.508 1.914 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)C1 ZINC001034798190 711133149 /nfs/dbraw/zinc/13/31/49/711133149.db2.gz ZPTNEFGGSBPGRP-BZSNNMDCSA-N 2 1 337.508 1.914 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003968749 711145165 /nfs/dbraw/zinc/14/51/65/711145165.db2.gz UCQAKQVRBUHONB-HNNXBMFYSA-N 2 1 348.495 1.029 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003968749 711145169 /nfs/dbraw/zinc/14/51/69/711145169.db2.gz UCQAKQVRBUHONB-HNNXBMFYSA-N 2 1 348.495 1.029 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001003983944 711183906 /nfs/dbraw/zinc/18/39/06/711183906.db2.gz VWNQSUOTPRVGRN-MRXNPFEDSA-N 2 1 346.475 1.911 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncc(Cl)s1 ZINC001034884520 711288328 /nfs/dbraw/zinc/28/83/28/711288328.db2.gz IRZGKFWDTAZCGE-VXGBXAGGSA-N 2 1 342.896 1.971 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncc(Cl)s1 ZINC001034884520 711288331 /nfs/dbraw/zinc/28/83/31/711288331.db2.gz IRZGKFWDTAZCGE-VXGBXAGGSA-N 2 1 342.896 1.971 20 0 EDADMP CCn1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)nn1 ZINC001034934884 711361564 /nfs/dbraw/zinc/36/15/64/711361564.db2.gz XOQXAKGFJPJDPW-SJORKVTESA-N 2 1 348.495 1.251 20 0 EDADMP CCn1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)nn1 ZINC001034934884 711361567 /nfs/dbraw/zinc/36/15/67/711361567.db2.gz XOQXAKGFJPJDPW-SJORKVTESA-N 2 1 348.495 1.251 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC001034958184 711431237 /nfs/dbraw/zinc/43/12/37/711431237.db2.gz CWBMCIZODWPBEJ-SJORKVTESA-N 2 1 346.475 1.768 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cnon2)C1 ZINC001034958240 711431904 /nfs/dbraw/zinc/43/19/04/711431904.db2.gz FBNFCYPYUXPMEG-GDBMZVCRSA-N 2 1 335.452 1.128 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cnon2)C1 ZINC001034958240 711431907 /nfs/dbraw/zinc/43/19/07/711431907.db2.gz FBNFCYPYUXPMEG-GDBMZVCRSA-N 2 1 335.452 1.128 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC001034958818 711432888 /nfs/dbraw/zinc/43/28/88/711432888.db2.gz MGLYGKKJLDTSFB-SJORKVTESA-N 2 1 339.443 1.936 20 0 EDADMP CCc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001034940807 711444430 /nfs/dbraw/zinc/44/44/30/711444430.db2.gz INSMJJBTFWZGEP-NVXWUHKLSA-N 2 1 346.475 1.659 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc4n3CCC4)C2)[C@H]1C(C)C ZINC000922393931 711459816 /nfs/dbraw/zinc/45/98/16/711459816.db2.gz LQGXYKGUUIFVQE-PSBWJHGTSA-N 2 1 332.492 1.789 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnn4c3CCC4)C2)[C@H]1C(C)C ZINC000922395537 711469054 /nfs/dbraw/zinc/46/90/54/711469054.db2.gz SSBRURNINFRVIU-OWYHZJEWSA-N 2 1 332.492 1.789 20 0 EDADMP CN(C)c1cc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)ccn1 ZINC001004145812 711555767 /nfs/dbraw/zinc/55/57/67/711555767.db2.gz VFHMSWFVPPDVAD-MRXNPFEDSA-N 2 1 345.491 1.180 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCCO)CC1 ZINC001004473818 711850510 /nfs/dbraw/zinc/85/05/10/711850510.db2.gz LXXTYNPJARSRNF-MSOLQXFVSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004473818 711850511 /nfs/dbraw/zinc/85/05/11/711850511.db2.gz LXXTYNPJARSRNF-MSOLQXFVSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004473818 711850513 /nfs/dbraw/zinc/85/05/13/711850513.db2.gz LXXTYNPJARSRNF-MSOLQXFVSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1 ZINC000946638617 712108083 /nfs/dbraw/zinc/10/80/83/712108083.db2.gz URYLXFWYEVOPLP-KURKYZTESA-N 2 1 349.519 1.414 20 0 EDADMP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033151950 712140844 /nfs/dbraw/zinc/14/08/44/712140844.db2.gz MNQQSEWMPZPYAX-CVEARBPZSA-N 2 1 342.447 1.190 20 0 EDADMP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033151950 712140847 /nfs/dbraw/zinc/14/08/47/712140847.db2.gz MNQQSEWMPZPYAX-CVEARBPZSA-N 2 1 342.447 1.190 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946678063 712370116 /nfs/dbraw/zinc/37/01/16/712370116.db2.gz SZOQTFWNHNWWQG-KURKYZTESA-N 2 1 346.475 1.398 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946678063 712370118 /nfs/dbraw/zinc/37/01/18/712370118.db2.gz SZOQTFWNHNWWQG-KURKYZTESA-N 2 1 346.475 1.398 20 0 EDADMP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]2C1 ZINC000946678259 712370559 /nfs/dbraw/zinc/37/05/59/712370559.db2.gz WLRRWQRFQHJOBG-OAGGEKHMSA-N 2 1 342.443 1.499 20 0 EDADMP CN(CCC[N@@H+](C)CC(=O)N(C)C1CCCCC1)CC[NH+](C)C ZINC000344072340 282091494 /nfs/dbraw/zinc/09/14/94/282091494.db2.gz SLNJCWLBVJKZDM-UHFFFAOYSA-N 2 1 326.529 1.593 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422906278 282105351 /nfs/dbraw/zinc/10/53/51/282105351.db2.gz JLCGCTCVUUZKCD-ZWKOTPCHSA-N 3 1 332.492 1.728 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cc(Br)cs1 ZINC000053299104 214175111 /nfs/dbraw/zinc/17/51/11/214175111.db2.gz YNBFOFYSDUSEFS-UHFFFAOYSA-N 2 1 346.294 1.764 20 0 EDADMP Cc1n[nH]cc1C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000558421779 306238083 /nfs/dbraw/zinc/23/80/83/306238083.db2.gz AQNQYVYXHXUAQM-GJZGRUSLSA-N 2 1 336.480 1.808 20 0 EDADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000370757460 282233494 /nfs/dbraw/zinc/23/34/94/282233494.db2.gz LRMTYUIQTSMNRI-OTWHNJEPSA-N 2 1 345.487 1.906 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)C1CC1 ZINC000104856377 282244069 /nfs/dbraw/zinc/24/40/69/282244069.db2.gz ILCUWCMYNZVRLG-RTBURBONSA-N 2 1 345.487 1.641 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-n2ccnc2)cc1 ZINC000174726208 529887763 /nfs/dbraw/zinc/88/77/63/529887763.db2.gz CHFPOUJPMNCWQN-UHFFFAOYSA-N 2 1 327.476 1.942 20 0 EDADMP CN(CC[N@H+](C)C[C@H](O)c1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000180940609 529903631 /nfs/dbraw/zinc/90/36/31/529903631.db2.gz FYMMEXDGCAYEQM-SFHVURJKSA-N 2 1 341.446 1.956 20 0 EDADMP CN(CC[N@@H+](C)C[C@H](O)c1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000180940609 529903632 /nfs/dbraw/zinc/90/36/32/529903632.db2.gz FYMMEXDGCAYEQM-SFHVURJKSA-N 2 1 341.446 1.956 20 0 EDADMP CN(C/C=C/CN(C)[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000340196912 282335350 /nfs/dbraw/zinc/33/53/50/282335350.db2.gz GEOKNBJQIXNKQA-FMEUAVTJSA-N 2 1 332.536 1.880 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000187194517 530018720 /nfs/dbraw/zinc/01/87/20/530018720.db2.gz CGHBSJLGYFTYAO-ULQDDVLXSA-N 2 1 337.489 1.036 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC1(O)CCCCCC1 ZINC000426206692 282353612 /nfs/dbraw/zinc/35/36/12/282353612.db2.gz QSGCTSIUEYFYPL-UHFFFAOYSA-N 2 1 337.508 1.747 20 0 EDADMP CCC[NH+](CC)CC(=O)N1CCN(C(=O)C[N@H+](CC)CCC)CC1 ZINC000434829160 305131305 /nfs/dbraw/zinc/13/13/05/305131305.db2.gz PCCSFCYJYFCMDV-UHFFFAOYSA-N 2 1 340.512 1.121 20 0 EDADMP CC[N@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000066987888 215101704 /nfs/dbraw/zinc/10/17/04/215101704.db2.gz MOTKFLFPHZAMHU-KRWDZBQOSA-N 2 1 347.507 1.448 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000066987888 215101706 /nfs/dbraw/zinc/10/17/06/215101706.db2.gz MOTKFLFPHZAMHU-KRWDZBQOSA-N 2 1 347.507 1.448 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)CC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC000339233782 539701238 /nfs/dbraw/zinc/70/12/38/539701238.db2.gz KNRPOIQARUHHRA-GVDBMIGSSA-N 2 1 325.497 1.866 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000342989718 539772153 /nfs/dbraw/zinc/77/21/53/539772153.db2.gz PKRKPIYPHXSKLM-HZPDHXFCSA-N 2 1 340.512 1.214 20 0 EDADMP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000561978875 306291765 /nfs/dbraw/zinc/29/17/65/306291765.db2.gz NWWGSJNIRSXEPU-MRXNPFEDSA-N 2 1 348.491 1.033 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c[nH]c4nccnc34)CC2)CC1 ZINC000562939935 306313034 /nfs/dbraw/zinc/31/30/34/306313034.db2.gz UBZXSVPPTCAGKD-UHFFFAOYSA-N 2 1 342.491 1.902 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)CCO1 ZINC000184227922 235341055 /nfs/dbraw/zinc/34/10/55/235341055.db2.gz ZJGGQPDUQKEWBL-MRXNPFEDSA-N 2 1 337.508 1.997 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)C2)C1 ZINC000333623824 283166793 /nfs/dbraw/zinc/16/67/93/283166793.db2.gz ZYBOOPVOCPVTBF-SWGHUGEVSA-N 2 1 346.519 1.877 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105070277 138300740 /nfs/dbraw/zinc/30/07/40/138300740.db2.gz KELSFBBBWZDVRR-KRWDZBQOSA-N 2 1 338.496 1.369 20 0 EDADMP C[C@@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123511725 138318944 /nfs/dbraw/zinc/31/89/44/138318944.db2.gz YGFWBTHJQBQZQZ-ZDUSSCGKSA-N 2 1 335.500 1.635 20 0 EDADMP C[C@H](C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[NH+]1CCSCC1 ZINC000133299494 138391306 /nfs/dbraw/zinc/39/13/06/138391306.db2.gz JIXXBLWFRJSPPQ-HUUCEWRRSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@H](C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)[NH+]1CCSCC1 ZINC000133299494 138391308 /nfs/dbraw/zinc/39/13/08/138391308.db2.gz JIXXBLWFRJSPPQ-HUUCEWRRSA-N 2 1 341.521 1.135 20 0 EDADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000563670880 306344506 /nfs/dbraw/zinc/34/45/06/306344506.db2.gz ZRXKIZWTVWGDJU-RHSMWYFYSA-N 2 1 342.447 1.709 20 0 EDADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000563670880 306344507 /nfs/dbraw/zinc/34/45/07/306344507.db2.gz ZRXKIZWTVWGDJU-RHSMWYFYSA-N 2 1 342.447 1.709 20 0 EDADMP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000131512108 223242489 /nfs/dbraw/zinc/24/24/89/223242489.db2.gz SLJJCAIFMUIXRD-HKUYNNGSSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000131512108 223242491 /nfs/dbraw/zinc/24/24/91/223242491.db2.gz SLJJCAIFMUIXRD-HKUYNNGSSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000131512108 223242493 /nfs/dbraw/zinc/24/24/93/223242493.db2.gz SLJJCAIFMUIXRD-HKUYNNGSSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000131512108 223242495 /nfs/dbraw/zinc/24/24/95/223242495.db2.gz SLJJCAIFMUIXRD-HKUYNNGSSA-N 2 1 345.487 1.736 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000131828275 223276548 /nfs/dbraw/zinc/27/65/48/223276548.db2.gz CEBGWVFGJMRBKE-PKOBYXMFSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000131828275 223276551 /nfs/dbraw/zinc/27/65/51/223276551.db2.gz CEBGWVFGJMRBKE-PKOBYXMFSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000131828275 223276553 /nfs/dbraw/zinc/27/65/53/223276553.db2.gz CEBGWVFGJMRBKE-PKOBYXMFSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000131828275 223276556 /nfs/dbraw/zinc/27/65/56/223276556.db2.gz CEBGWVFGJMRBKE-PKOBYXMFSA-N 2 1 343.471 1.488 20 0 EDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000414183852 304104877 /nfs/dbraw/zinc/10/48/77/304104877.db2.gz NYROXSPREKDZSR-UONOGXRCSA-N 2 1 325.478 1.717 20 0 EDADMP CC[NH+]1CCC(n2nccc2NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000414337865 304108181 /nfs/dbraw/zinc/10/81/81/304108181.db2.gz JTVHQPCHYSOXQP-UHFFFAOYSA-N 2 1 331.468 1.952 20 0 EDADMP CC(C)N1CC[NH+](CCCN2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000565775610 306391242 /nfs/dbraw/zinc/39/12/42/306391242.db2.gz FPDHRAFQDJALKE-HXUWFJFHSA-N 2 1 330.520 1.961 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000353810955 296109509 /nfs/dbraw/zinc/10/95/09/296109509.db2.gz MLZZRCDWEQEFDL-FUHWJXTLSA-N 2 1 335.492 1.478 20 0 EDADMP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414991269 304148590 /nfs/dbraw/zinc/14/85/90/304148590.db2.gz AXLNDRZGQJYEEP-JLJPHGGASA-N 2 1 342.480 1.932 20 0 EDADMP CCOc1cc(C[NH2+]C[C@@H]([NH3+])CC)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414987861 304148295 /nfs/dbraw/zinc/14/82/95/304148295.db2.gz ZGKJZGLMQQXYPE-ZFWWWQNUSA-N 2 1 337.464 1.768 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000415065691 304156231 /nfs/dbraw/zinc/15/62/31/304156231.db2.gz SACZHXWVDSMISY-HOTGVXAUSA-N 2 1 345.447 1.010 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000415065691 304156233 /nfs/dbraw/zinc/15/62/33/304156233.db2.gz SACZHXWVDSMISY-HOTGVXAUSA-N 2 1 345.447 1.010 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000415065695 304156302 /nfs/dbraw/zinc/15/63/02/304156302.db2.gz SACZHXWVDSMISY-HZPDHXFCSA-N 2 1 345.447 1.010 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000415065695 304156305 /nfs/dbraw/zinc/15/63/05/304156305.db2.gz SACZHXWVDSMISY-HZPDHXFCSA-N 2 1 345.447 1.010 20 0 EDADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000415138862 304163335 /nfs/dbraw/zinc/16/33/35/304163335.db2.gz KSCGTKUZQTVWON-ROUUACIJSA-N 2 1 346.450 1.854 20 0 EDADMP Cc1ccc(F)c(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000415138862 304163337 /nfs/dbraw/zinc/16/33/37/304163337.db2.gz KSCGTKUZQTVWON-ROUUACIJSA-N 2 1 346.450 1.854 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000415139070 304163522 /nfs/dbraw/zinc/16/35/22/304163522.db2.gz HXXIWCBJRPOGEB-XEZPLFJOSA-N 2 1 330.432 1.340 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@H]1C ZINC000415144013 304164461 /nfs/dbraw/zinc/16/44/61/304164461.db2.gz CSBCPOWYTYLGNG-KGLIPLIRSA-N 2 1 332.448 1.286 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NC3CC3)C2)[nH+]1 ZINC000195516216 139019072 /nfs/dbraw/zinc/01/90/72/139019072.db2.gz MSCLDRWAOGPVGH-KBPBESRZSA-N 2 1 345.447 1.501 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC000415152791 304166282 /nfs/dbraw/zinc/16/62/82/304166282.db2.gz SMFYQWWEZLGXJG-LSDHHAIUSA-N 2 1 346.475 1.676 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC000415152791 304166283 /nfs/dbraw/zinc/16/62/83/304166283.db2.gz SMFYQWWEZLGXJG-LSDHHAIUSA-N 2 1 346.475 1.676 20 0 EDADMP CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000236839440 139033229 /nfs/dbraw/zinc/03/32/29/139033229.db2.gz OLEPZBZEBRNEJQ-LJQANCHMSA-N 2 1 332.492 1.537 20 0 EDADMP Cc1cc(N2CCC(NC(=O)CCC3CC[NH2+]CC3)CC2)nc(C)[nH+]1 ZINC000237785256 139060347 /nfs/dbraw/zinc/06/03/47/139060347.db2.gz XBCYAZJEWXOEPT-UHFFFAOYSA-N 2 1 345.491 1.958 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000238046595 139067487 /nfs/dbraw/zinc/06/74/87/139067487.db2.gz IXZYLCIVCFZODZ-QGZVFWFLSA-N 2 1 333.501 1.468 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000111834693 220201441 /nfs/dbraw/zinc/20/14/41/220201441.db2.gz JHIRJDVAQKZWIU-INIZCTEOSA-N 2 1 340.512 1.659 20 0 EDADMP O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000238018446 139066753 /nfs/dbraw/zinc/06/67/53/139066753.db2.gz MRTUQLGZAUUAJD-LJQANCHMSA-N 2 1 344.503 1.453 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000238052550 139067695 /nfs/dbraw/zinc/06/76/95/139067695.db2.gz USTRELVXCDRREI-QGZVFWFLSA-N 2 1 333.501 1.646 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000111848001 220208254 /nfs/dbraw/zinc/20/82/54/220208254.db2.gz TWOXZJVLFMLOBH-QGZVFWFLSA-N 2 1 340.512 1.661 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000111866550 220214190 /nfs/dbraw/zinc/21/41/90/220214190.db2.gz CZHFTDPTFZJBBZ-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(C)[C@H](C)CO)CC1 ZINC000245598396 139080574 /nfs/dbraw/zinc/08/05/74/139080574.db2.gz LXHRSRBEZDPSRL-QGZVFWFLSA-N 2 1 333.476 1.342 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H](C)CO)CC1 ZINC000245598396 139080575 /nfs/dbraw/zinc/08/05/75/139080575.db2.gz LXHRSRBEZDPSRL-QGZVFWFLSA-N 2 1 333.476 1.342 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)CO)CC1 ZINC000245598396 139080577 /nfs/dbraw/zinc/08/05/77/139080577.db2.gz LXHRSRBEZDPSRL-QGZVFWFLSA-N 2 1 333.476 1.342 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)CO)CC1 ZINC000245598396 139080578 /nfs/dbraw/zinc/08/05/78/139080578.db2.gz LXHRSRBEZDPSRL-QGZVFWFLSA-N 2 1 333.476 1.342 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)COc3cccc(C)c3)C2)CC1 ZINC000245891404 139088672 /nfs/dbraw/zinc/08/86/72/139088672.db2.gz BSIKOWDRFAWPPT-RBUKOAKNSA-N 2 1 347.503 1.447 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000246759634 139120435 /nfs/dbraw/zinc/12/04/35/139120435.db2.gz MTRPOHZHGPIKME-WMZOPIPTSA-N 2 1 346.475 1.233 20 0 EDADMP Cc1csc2nc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc(=O)n12 ZINC000246743620 139119868 /nfs/dbraw/zinc/11/98/68/139119868.db2.gz GVUCWYHDRVWHHB-ZFWWWQNUSA-N 2 1 332.473 1.981 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246802894 139122295 /nfs/dbraw/zinc/12/22/95/139122295.db2.gz BAZVRSYPNFOTPS-KBAYOESNSA-N 2 1 345.491 1.638 20 0 EDADMP COC(=O)c1ccccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246943345 139128009 /nfs/dbraw/zinc/12/80/09/139128009.db2.gz NQBMUASNSZJDQA-WMLDXEAASA-N 2 1 345.443 1.828 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC[N@H+]1C ZINC000247101415 139135463 /nfs/dbraw/zinc/13/54/63/139135463.db2.gz XYIKRBWPTUAUDI-RBSFLKMASA-N 2 1 345.443 1.058 20 0 EDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC[NH+]1C ZINC000247101415 139135464 /nfs/dbraw/zinc/13/54/64/139135464.db2.gz XYIKRBWPTUAUDI-RBSFLKMASA-N 2 1 345.443 1.058 20 0 EDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC[NH+]1C ZINC000247101415 139135465 /nfs/dbraw/zinc/13/54/65/139135465.db2.gz XYIKRBWPTUAUDI-RBSFLKMASA-N 2 1 345.443 1.058 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247484595 139150111 /nfs/dbraw/zinc/15/01/11/139150111.db2.gz KIIYPBFUVXPBDS-BRWVUGGUSA-N 2 1 340.512 1.659 20 0 EDADMP [NH3+]Cc1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000248877750 139178749 /nfs/dbraw/zinc/17/87/49/139178749.db2.gz NCIBRVZVKQUZNR-OALUTQOASA-N 2 1 339.439 1.511 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C[C@@H]1CCC[C@H]1O)c1ccccc1 ZINC000249378596 139192195 /nfs/dbraw/zinc/19/21/95/139192195.db2.gz ZEEFXTRYFFPNNX-RCCFBDPRSA-N 2 1 333.476 1.498 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261602567 139209783 /nfs/dbraw/zinc/20/97/83/139209783.db2.gz ACSSJFIIGYRGTM-APWZRJJASA-N 2 1 345.487 1.863 20 0 EDADMP CCc1nc(N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc(C)[nH+]1 ZINC000261633027 139213095 /nfs/dbraw/zinc/21/30/95/139213095.db2.gz HPRRBKJLYDDNGX-CABCVRRESA-N 2 1 331.464 1.432 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000261676580 139216694 /nfs/dbraw/zinc/21/66/94/139216694.db2.gz HPZUKUOAHNUNRP-LBPRGKRZSA-N 2 1 338.839 1.065 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000261676580 139216695 /nfs/dbraw/zinc/21/66/95/139216695.db2.gz HPZUKUOAHNUNRP-LBPRGKRZSA-N 2 1 338.839 1.065 20 0 EDADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261693557 139218188 /nfs/dbraw/zinc/21/81/88/139218188.db2.gz JHAFXHSBWBDXBI-GFCCVEGCSA-N 2 1 327.375 1.713 20 0 EDADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261693557 139218189 /nfs/dbraw/zinc/21/81/89/139218189.db2.gz JHAFXHSBWBDXBI-GFCCVEGCSA-N 2 1 327.375 1.713 20 0 EDADMP C[N@H+]1CCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261719723 139220144 /nfs/dbraw/zinc/22/01/44/139220144.db2.gz GTVFEYGAEAWIFF-OAHLLOKOSA-N 2 1 340.265 1.787 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261843467 139230870 /nfs/dbraw/zinc/23/08/70/139230870.db2.gz IWZQJJHSSMNOBI-BBRMVZONSA-N 2 1 336.867 1.815 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccncc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261843467 139230871 /nfs/dbraw/zinc/23/08/71/139230871.db2.gz IWZQJJHSSMNOBI-BBRMVZONSA-N 2 1 336.867 1.815 20 0 EDADMP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261909854 139236060 /nfs/dbraw/zinc/23/60/60/139236060.db2.gz QCDLJAGMZOKFLP-AWEZNQCLSA-N 2 1 336.867 1.566 20 0 EDADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261909854 139236061 /nfs/dbraw/zinc/23/60/61/139236061.db2.gz QCDLJAGMZOKFLP-AWEZNQCLSA-N 2 1 336.867 1.566 20 0 EDADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261961611 139240231 /nfs/dbraw/zinc/24/02/31/139240231.db2.gz PQYGXHAMBMXSOD-QRVBRYPASA-N 2 1 331.460 1.934 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)O1 ZINC000261998339 139242757 /nfs/dbraw/zinc/24/27/57/139242757.db2.gz NHGBTGUGAFBNQH-ZBFHGGJFSA-N 2 1 335.473 1.680 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C2CCCCC2)n1 ZINC000262099439 139250869 /nfs/dbraw/zinc/25/08/69/139250869.db2.gz IKGKFCQQVPEVJV-GOSISDBHSA-N 2 1 331.508 1.947 20 0 EDADMP C[C@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CCCC[NH2+]1 ZINC000262270806 139265355 /nfs/dbraw/zinc/26/53/55/139265355.db2.gz UODFVIBKBPDPPN-QFBILLFUSA-N 2 1 344.459 1.607 20 0 EDADMP C[C@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CCCC[NH2+]1 ZINC000262270806 139265356 /nfs/dbraw/zinc/26/53/56/139265356.db2.gz UODFVIBKBPDPPN-QFBILLFUSA-N 2 1 344.459 1.607 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCNCC1(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000417023739 251137400 /nfs/dbraw/zinc/13/74/00/251137400.db2.gz WJGGWQIJLMQKMS-MCIONIFRSA-N 2 1 332.439 1.651 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000417014717 251132624 /nfs/dbraw/zinc/13/26/24/251132624.db2.gz FTPVNMZOVUINHK-KRWDZBQOSA-N 2 1 347.507 1.088 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417026269 251139557 /nfs/dbraw/zinc/13/95/57/251139557.db2.gz ABXFFAJQDAYLMT-KRWDZBQOSA-N 2 1 341.544 1.419 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000417573697 251192022 /nfs/dbraw/zinc/19/20/22/251192022.db2.gz XPIIASUQSRYBMT-RHSMWYFYSA-N 2 1 334.464 1.616 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H]3COCC[NH2+]3)cc2)C1 ZINC000262393709 139275784 /nfs/dbraw/zinc/27/57/84/139275784.db2.gz OMBXVPYKSIOWNK-LPHOPBHVSA-N 2 1 345.487 1.913 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCC2)[C@@H](C)C1 ZINC000417666376 251218722 /nfs/dbraw/zinc/21/87/22/251218722.db2.gz CQKIIKLKBOHHOD-GJZGRUSLSA-N 2 1 326.485 1.304 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)[nH+]1 ZINC000417689419 251229294 /nfs/dbraw/zinc/22/92/94/251229294.db2.gz GESPYRHWTAFAHN-DOTOQJQBSA-N 2 1 343.475 1.752 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH2+]C)C2)[C@@H](C)C1 ZINC000417674502 251224558 /nfs/dbraw/zinc/22/45/58/251224558.db2.gz ZOPLCFUICSEPFB-BBWFWOEESA-N 2 1 340.512 1.517 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417722927 251242266 /nfs/dbraw/zinc/24/22/66/251242266.db2.gz BWEKTUYNGZLMKI-HOTGVXAUSA-N 2 1 333.480 1.104 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417726908 251244669 /nfs/dbraw/zinc/24/46/69/251244669.db2.gz IHRVRFPJXWYLGW-OWCLPIDISA-N 2 1 333.480 1.232 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417730055 251246746 /nfs/dbraw/zinc/24/67/46/251246746.db2.gz LZJDACNJOZHIGC-SJLPKXTDSA-N 2 1 347.507 1.480 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417736571 251249310 /nfs/dbraw/zinc/24/93/10/251249310.db2.gz UXWMWSPOKIRMPV-SJORKVTESA-N 2 1 345.491 1.187 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N[C@@H](CC[NH3+])C(F)F)CC2)[nH+]c1 ZINC000417740562 251251049 /nfs/dbraw/zinc/25/10/49/251251049.db2.gz ZWGHDKOBRCKRLV-ZDUSSCGKSA-N 2 1 341.406 1.641 20 0 EDADMP COC[C@@]1(CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCC[NH2+]1 ZINC000417793992 251272716 /nfs/dbraw/zinc/27/27/16/251272716.db2.gz MJYTWHSRESCWKF-AEFFLSMTSA-N 2 1 338.496 1.319 20 0 EDADMP COC[C@]1(CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCC[NH2+]1 ZINC000417793994 251273666 /nfs/dbraw/zinc/27/36/66/251273666.db2.gz MJYTWHSRESCWKF-FUHWJXTLSA-N 2 1 338.496 1.319 20 0 EDADMP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000417816059 251281670 /nfs/dbraw/zinc/28/16/70/251281670.db2.gz BZKYFBJIIMECEF-LZLYRXPVSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000417880067 251310625 /nfs/dbraw/zinc/31/06/25/251310625.db2.gz SJRPSECCPNDSGM-YSHGAJCASA-N 2 1 342.487 1.900 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418106375 251323146 /nfs/dbraw/zinc/32/31/46/251323146.db2.gz MZQODAOQUZRBFE-BPQIPLTHSA-N 2 1 330.476 1.887 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418104170 251323708 /nfs/dbraw/zinc/32/37/08/251323708.db2.gz JYANTSGYLVDLIV-FHWLQOOXSA-N 2 1 342.487 1.902 20 0 EDADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418109311 251324214 /nfs/dbraw/zinc/32/42/14/251324214.db2.gz UDYRBRKOISEEFN-KZNAEPCWSA-N 2 1 330.476 1.935 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)cc(N2CCCC2)[nH+]1 ZINC000418196494 251355189 /nfs/dbraw/zinc/35/51/89/251355189.db2.gz HRFTVROFCYODEB-ZDUSSCGKSA-N 2 1 341.406 1.772 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@H]1C ZINC000418685686 251385848 /nfs/dbraw/zinc/38/58/48/251385848.db2.gz NHUXUTVUWUOXRQ-XYVMCAHJSA-N 2 1 330.476 1.866 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000262798756 139304469 /nfs/dbraw/zinc/30/44/69/139304469.db2.gz OSCXJLOPQACOFC-PVAVHDDUSA-N 2 1 333.501 1.861 20 0 EDADMP CC[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCC[NH2+]1 ZINC000422898211 252014771 /nfs/dbraw/zinc/01/47/71/252014771.db2.gz DQIHFFXTBUFHTA-LESCRADOSA-N 2 1 347.459 1.431 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)n(C)n1 ZINC000423075144 252034509 /nfs/dbraw/zinc/03/45/09/252034509.db2.gz NVCZSRKFABRTCR-BSDSXHPESA-N 2 1 347.507 1.444 20 0 EDADMP C[C@](CO)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000423072027 252034528 /nfs/dbraw/zinc/03/45/28/252034528.db2.gz IQAJTEGNJYABRA-ZGXWSNOMSA-N 2 1 332.488 1.974 20 0 EDADMP O=C1CCN1c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423094420 252036346 /nfs/dbraw/zinc/03/63/46/252036346.db2.gz BSZWCQGCYCKFES-KSZLIROESA-N 2 1 329.444 1.670 20 0 EDADMP C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415603309 304237111 /nfs/dbraw/zinc/23/71/11/304237111.db2.gz UFTOFCSCURLPFL-ZIAGYGMSSA-N 2 1 332.448 1.320 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC(C)(C)CC[NH3+])cc2F)CC1 ZINC000424049605 252124787 /nfs/dbraw/zinc/12/47/87/252124787.db2.gz XCKZRXOTAKJSRU-UHFFFAOYSA-N 2 1 336.455 1.825 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423782799 252073103 /nfs/dbraw/zinc/07/31/03/252073103.db2.gz JHWDINKGKYOHQD-DAYGRLMNSA-N 2 1 347.459 1.418 20 0 EDADMP C[C@H](CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000423790037 252075949 /nfs/dbraw/zinc/07/59/49/252075949.db2.gz GAYUSYUCOPFSTF-IAGOWNOFSA-N 2 1 339.524 1.829 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000423796909 252078805 /nfs/dbraw/zinc/07/88/05/252078805.db2.gz MFBLOQLLZOFKQN-KRWDZBQOSA-N 2 1 330.476 1.881 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000424465734 252238489 /nfs/dbraw/zinc/23/84/89/252238489.db2.gz KGWFFYHBHXPAIZ-CQSZACIVSA-N 2 1 344.459 1.335 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@@H]1C ZINC000424445430 252234797 /nfs/dbraw/zinc/23/47/97/252234797.db2.gz FNBQJIFTKUEYAS-WMLDXEAASA-N 2 1 346.475 1.723 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424474855 252244927 /nfs/dbraw/zinc/24/49/27/252244927.db2.gz JAIJOLPGRVDIQO-RCCFBDPRSA-N 2 1 330.476 1.886 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358507004 296344473 /nfs/dbraw/zinc/34/44/73/296344473.db2.gz MLRQPOZBTYWMGR-SJORKVTESA-N 2 1 337.508 1.773 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C[C@H](C)O1 ZINC000263161345 139325804 /nfs/dbraw/zinc/32/58/04/139325804.db2.gz DVECLYDNGBUDBR-KRXQYRFLSA-N 2 1 325.497 1.898 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C[C@H](C)O1 ZINC000263161345 139325805 /nfs/dbraw/zinc/32/58/05/139325805.db2.gz DVECLYDNGBUDBR-KRXQYRFLSA-N 2 1 325.497 1.898 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2C1 ZINC000415678063 304254696 /nfs/dbraw/zinc/25/46/96/304254696.db2.gz WDLLIORZVFNZDO-GASCZTMLSA-N 2 1 342.443 1.029 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2C1 ZINC000415678063 304254699 /nfs/dbraw/zinc/25/46/99/304254699.db2.gz WDLLIORZVFNZDO-GASCZTMLSA-N 2 1 342.443 1.029 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+][C@H]3C)c2C1 ZINC000415682776 304255658 /nfs/dbraw/zinc/25/56/58/304255658.db2.gz RZUASXUUWPPGFA-XJKSGUPXSA-N 2 1 344.459 1.607 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+][C@H]3C)c2C1 ZINC000415682776 304255659 /nfs/dbraw/zinc/25/56/59/304255659.db2.gz RZUASXUUWPPGFA-XJKSGUPXSA-N 2 1 344.459 1.607 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNCC(F)(F)F ZINC000353730072 285243568 /nfs/dbraw/zinc/24/35/68/285243568.db2.gz OZBHRWUSIWRAGJ-CYBMUJFWSA-N 2 1 338.418 1.013 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000487557460 255032358 /nfs/dbraw/zinc/03/23/58/255032358.db2.gz JVOQBJBHDFIFMC-YSHGAJCASA-N 2 1 327.472 1.775 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000487557460 255032360 /nfs/dbraw/zinc/03/23/60/255032360.db2.gz JVOQBJBHDFIFMC-YSHGAJCASA-N 2 1 327.472 1.775 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000487557460 255032363 /nfs/dbraw/zinc/03/23/63/255032363.db2.gz JVOQBJBHDFIFMC-YSHGAJCASA-N 2 1 327.472 1.775 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc2n1CCCC2 ZINC000371017504 285250356 /nfs/dbraw/zinc/25/03/56/285250356.db2.gz JPIIKGBJKTYEIU-MRXNPFEDSA-N 2 1 347.507 1.708 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@]2(C)CCO[C@H]2C)CC1 ZINC000494278115 255244035 /nfs/dbraw/zinc/24/40/35/255244035.db2.gz XEROLUJCEXIHBZ-PXNSSMCTSA-N 2 1 345.487 1.796 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000118115074 221119863 /nfs/dbraw/zinc/11/98/63/221119863.db2.gz GESKAIQKIMCMOF-UHFFFAOYSA-N 2 1 334.464 1.535 20 0 EDADMP COC[C@@]1(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000357266425 285324188 /nfs/dbraw/zinc/32/41/88/285324188.db2.gz HVGNWMBIJDXEGY-QUCCMNQESA-N 2 1 345.487 1.926 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000119525829 221340362 /nfs/dbraw/zinc/34/03/62/221340362.db2.gz BLPVGFSBVFTUGL-GJZGRUSLSA-N 2 1 328.501 1.230 20 0 EDADMP COCCOc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000119536922 221342875 /nfs/dbraw/zinc/34/28/75/221342875.db2.gz ZJVLTOUWTOWKDT-UHFFFAOYSA-N 2 1 347.503 1.925 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000264296187 139394685 /nfs/dbraw/zinc/39/46/85/139394685.db2.gz MSAVTHRVBVDBSW-INIZCTEOSA-N 2 1 342.447 1.811 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000415907372 304284966 /nfs/dbraw/zinc/28/49/66/304284966.db2.gz MQEQFVANJGELAT-MRXNPFEDSA-N 2 1 347.507 1.801 20 0 EDADMP C[C@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC000416213216 304296454 /nfs/dbraw/zinc/29/64/54/304296454.db2.gz FYMZQKIHQJRMSC-WMZOPIPTSA-N 2 1 347.503 1.983 20 0 EDADMP C[C@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC000416213214 304296556 /nfs/dbraw/zinc/29/65/56/304296556.db2.gz FYMZQKIHQJRMSC-FUHWJXTLSA-N 2 1 347.503 1.983 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)CC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000416240474 304299585 /nfs/dbraw/zinc/29/95/85/304299585.db2.gz JRPZUJJBTCLESA-MOPGFXCFSA-N 2 1 343.471 1.366 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000416240474 304299587 /nfs/dbraw/zinc/29/95/87/304299587.db2.gz JRPZUJJBTCLESA-MOPGFXCFSA-N 2 1 343.471 1.366 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)CC[N@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000416240474 304299588 /nfs/dbraw/zinc/29/95/88/304299588.db2.gz JRPZUJJBTCLESA-MOPGFXCFSA-N 2 1 343.471 1.366 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)CC[N@H+]2CCc3ccccc3C2)[NH+](C)C1 ZINC000416240496 304299649 /nfs/dbraw/zinc/29/96/49/304299649.db2.gz JUHGZTWUTNHGNI-OALUTQOASA-N 2 1 345.487 1.612 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)CC[NH+]2CCc3ccccc3C2)[N@H+](C)C1 ZINC000416240496 304299651 /nfs/dbraw/zinc/29/96/51/304299651.db2.gz JUHGZTWUTNHGNI-OALUTQOASA-N 2 1 345.487 1.612 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)CC[NH+]2CCc3ccccc3C2)[N@@H+](C)C1 ZINC000416240496 304299654 /nfs/dbraw/zinc/29/96/54/304299654.db2.gz JUHGZTWUTNHGNI-OALUTQOASA-N 2 1 345.487 1.612 20 0 EDADMP Cc1n[nH]cc1C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000271151573 140247076 /nfs/dbraw/zinc/24/70/76/140247076.db2.gz AYKFXAFWNSRSFY-UHFFFAOYSA-N 2 1 343.475 1.981 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271814080 140354962 /nfs/dbraw/zinc/35/49/62/140354962.db2.gz YXMNVHWJIVCZFY-CFVMTHIKSA-N 2 1 325.478 1.857 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000331638134 141060420 /nfs/dbraw/zinc/06/04/20/141060420.db2.gz SONIJQOHRVCQTQ-HUUCEWRRSA-N 2 1 337.468 1.113 20 0 EDADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000331638134 141060421 /nfs/dbraw/zinc/06/04/21/141060421.db2.gz SONIJQOHRVCQTQ-HUUCEWRRSA-N 2 1 337.468 1.113 20 0 EDADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000331638134 141060422 /nfs/dbraw/zinc/06/04/22/141060422.db2.gz SONIJQOHRVCQTQ-HUUCEWRRSA-N 2 1 337.468 1.113 20 0 EDADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cn1C ZINC000332185871 141136957 /nfs/dbraw/zinc/13/69/57/141136957.db2.gz WPRLDMCSSSPKFA-FUHWJXTLSA-N 2 1 349.475 1.669 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000332346216 141166199 /nfs/dbraw/zinc/16/61/99/141166199.db2.gz PVTZIVIDKMGWLV-HYVNUMGLSA-N 2 1 338.496 1.256 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000333466038 141321661 /nfs/dbraw/zinc/32/16/61/141321661.db2.gz ZYBYKALJMJYYSP-QKPAOTATSA-N 2 1 340.512 1.562 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000333466038 141321662 /nfs/dbraw/zinc/32/16/62/141321662.db2.gz ZYBYKALJMJYYSP-QKPAOTATSA-N 2 1 340.512 1.562 20 0 EDADMP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000333649694 141350465 /nfs/dbraw/zinc/35/04/65/141350465.db2.gz JOVBPXDPFLTCAV-ZBFHGGJFSA-N 2 1 334.468 1.021 20 0 EDADMP Cn1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333653095 141350802 /nfs/dbraw/zinc/35/08/02/141350802.db2.gz ZIPGUIZBKAVFDJ-BFYDXBDKSA-N 2 1 345.491 1.443 20 0 EDADMP c1[nH+]cn2c1C[C@H](c1nc([C@H]3CN4CCCC[C@@H]4CO3)no1)CC2 ZINC000333749420 141372864 /nfs/dbraw/zinc/37/28/64/141372864.db2.gz SQRZCSAYHMSYRU-UMVBOHGHSA-N 2 1 329.404 1.922 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000333769360 141377696 /nfs/dbraw/zinc/37/76/96/141377696.db2.gz BUVQZQDKCKGRTE-RYRKJORJSA-N 2 1 338.496 1.128 20 0 EDADMP C[N@@H+](C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C[C@@H]1CC[NH+](C)C1 ZINC000416408616 304316310 /nfs/dbraw/zinc/31/63/10/304316310.db2.gz QZCUDOBZLWQAIR-ZBFHGGJFSA-N 2 1 347.459 1.195 20 0 EDADMP C[NH+](C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C[C@@H]1CC[N@H+](C)C1 ZINC000416408616 304316312 /nfs/dbraw/zinc/31/63/12/304316312.db2.gz QZCUDOBZLWQAIR-ZBFHGGJFSA-N 2 1 347.459 1.195 20 0 EDADMP C[NH+](C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C[C@@H]1CC[N@@H+](C)C1 ZINC000416408616 304316314 /nfs/dbraw/zinc/31/63/14/304316314.db2.gz QZCUDOBZLWQAIR-ZBFHGGJFSA-N 2 1 347.459 1.195 20 0 EDADMP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000340120083 142272060 /nfs/dbraw/zinc/27/20/60/142272060.db2.gz QIZIDBWEVQEZHQ-SJLPKXTDSA-N 2 1 345.491 1.085 20 0 EDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000340191900 142297866 /nfs/dbraw/zinc/29/78/66/142297866.db2.gz UGHHYSALDJJVPZ-KRWDZBQOSA-N 2 1 348.472 1.896 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000340213118 142305863 /nfs/dbraw/zinc/30/58/63/142305863.db2.gz SZAACQCROZMBLE-MRXNPFEDSA-N 2 1 340.512 1.070 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)c3nccn3c2)C[C@H]1C ZINC000340324802 142341984 /nfs/dbraw/zinc/34/19/84/142341984.db2.gz KMUDXGIEKBNRNS-KGLIPLIRSA-N 2 1 343.431 1.522 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)c3nccn3c2)C[C@H]1C ZINC000340324802 142341987 /nfs/dbraw/zinc/34/19/87/142341987.db2.gz KMUDXGIEKBNRNS-KGLIPLIRSA-N 2 1 343.431 1.522 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000346082667 143165697 /nfs/dbraw/zinc/16/56/97/143165697.db2.gz IHNNUKFOMCYRPK-INIZCTEOSA-N 2 1 333.476 1.470 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000346082667 143165698 /nfs/dbraw/zinc/16/56/98/143165698.db2.gz IHNNUKFOMCYRPK-INIZCTEOSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000346125429 143170279 /nfs/dbraw/zinc/17/02/79/143170279.db2.gz GCIGAFMTOKWEJR-KRWDZBQOSA-N 2 1 345.491 1.146 20 0 EDADMP O=C([C@H]1CCC[N@H+](Cc2csc(C3CC3)n2)C1)N1CC[NH2+]CC1 ZINC000347019940 143272327 /nfs/dbraw/zinc/27/23/27/143272327.db2.gz MIQOTQOYVWUDNV-AWEZNQCLSA-N 2 1 334.489 1.664 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1)N1CC[NH2+]CC1 ZINC000347019940 143272328 /nfs/dbraw/zinc/27/23/28/143272328.db2.gz MIQOTQOYVWUDNV-AWEZNQCLSA-N 2 1 334.489 1.664 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1)N1CC[NH2+]CC1 ZINC000347033869 143274456 /nfs/dbraw/zinc/27/44/56/143274456.db2.gz BDWOQIPFNYLFGV-ZDUSSCGKSA-N 2 1 341.377 1.748 20 0 EDADMP O=C([C@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)C1)N1CC[NH2+]CC1 ZINC000347033869 143274457 /nfs/dbraw/zinc/27/44/57/143274457.db2.gz BDWOQIPFNYLFGV-ZDUSSCGKSA-N 2 1 341.377 1.748 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000347037788 143275057 /nfs/dbraw/zinc/27/50/57/143275057.db2.gz FZEKUNVVBDPYBL-CYBMUJFWSA-N 2 1 345.472 1.492 20 0 EDADMP Cc1ccc(NC(=O)[C@@H](C)C[NH+]2CCOCC2)c(OCC[NH+](C)C)c1 ZINC000347698614 143351168 /nfs/dbraw/zinc/35/11/68/143351168.db2.gz INBQQXUAAFZRHX-INIZCTEOSA-N 2 1 349.475 1.842 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCCC(F)(F)F)C2)CC1 ZINC000369788381 155177451 /nfs/dbraw/zinc/17/74/51/155177451.db2.gz DXUFZKPBHOQSAW-GFCCVEGCSA-N 2 1 336.402 1.797 20 0 EDADMP COCCN1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)CC1 ZINC000369819505 155189143 /nfs/dbraw/zinc/18/91/43/155189143.db2.gz OJMKEQZRVAINPV-CQSZACIVSA-N 2 1 334.464 1.429 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000353245806 149338590 /nfs/dbraw/zinc/33/85/90/149338590.db2.gz UXPVVOSWQQCQSW-VSZNYVQBSA-N 2 1 337.508 1.759 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)[C@H]2CCC[C@H]21 ZINC000353403150 149393321 /nfs/dbraw/zinc/39/33/21/149393321.db2.gz LLNPSQBWHAKMER-CEXWTWQISA-N 2 1 348.535 1.393 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H]1C)[NH+]1CCOCC1 ZINC000416960102 304355719 /nfs/dbraw/zinc/35/57/19/304355719.db2.gz QSPRPWISDLILIY-IMJJTQAJSA-N 2 1 326.485 1.255 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416964748 304356392 /nfs/dbraw/zinc/35/63/92/304356392.db2.gz CSHRYMGXPQVAJQ-OAGGEKHMSA-N 2 1 348.491 1.703 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416967835 304356951 /nfs/dbraw/zinc/35/69/51/304356951.db2.gz HTGHCOWBANUPAA-HRCADAONSA-N 2 1 348.491 1.832 20 0 EDADMP CC[N@@H+](CCC1CC1)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000355033396 150083824 /nfs/dbraw/zinc/08/38/24/150083824.db2.gz DNVBSTPAWZQAAP-QGZVFWFLSA-N 2 1 325.497 1.581 20 0 EDADMP CC[NH+](CCC1CC1)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000355033396 150083826 /nfs/dbraw/zinc/08/38/26/150083826.db2.gz DNVBSTPAWZQAAP-QGZVFWFLSA-N 2 1 325.497 1.581 20 0 EDADMP CC[NH+](CCC1CC1)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000355033396 150083829 /nfs/dbraw/zinc/08/38/29/150083829.db2.gz DNVBSTPAWZQAAP-QGZVFWFLSA-N 2 1 325.497 1.581 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccccc3C[NH+](C)C)[C@H]2C1 ZINC000355360983 150233776 /nfs/dbraw/zinc/23/37/76/150233776.db2.gz HJKKCTSQYYUDJI-ROUUACIJSA-N 2 1 331.460 1.683 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417028775 304362260 /nfs/dbraw/zinc/36/22/60/304362260.db2.gz BUBYRXMEVSYJKC-HZPDHXFCSA-N 2 1 326.485 1.400 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NCC[C@H](C)[NH3+])cc2)CC1 ZINC000416986100 304361929 /nfs/dbraw/zinc/36/19/29/304361929.db2.gz ISUZWVWJBIFVPV-INIZCTEOSA-N 2 1 347.507 1.361 20 0 EDADMP COC[C@]1(CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417032358 304363276 /nfs/dbraw/zinc/36/32/76/304363276.db2.gz FCZMECNFBKASTA-SJLPKXTDSA-N 2 1 340.512 1.566 20 0 EDADMP [NH3+]CC1CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000417033127 304363334 /nfs/dbraw/zinc/36/33/34/304363334.db2.gz RJBKDBLWRICGJQ-UHFFFAOYSA-N 2 1 330.476 1.815 20 0 EDADMP C[C@H]1CN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000417044350 304365500 /nfs/dbraw/zinc/36/55/00/304365500.db2.gz XWBBXCPNAJZYMN-MAUKXSAKSA-N 2 1 330.476 1.814 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000357462572 151039481 /nfs/dbraw/zinc/03/94/81/151039481.db2.gz HXKSVBSFBGYYKY-IYBDPMFKSA-N 2 1 333.476 1.977 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000357462572 151039485 /nfs/dbraw/zinc/03/94/85/151039485.db2.gz HXKSVBSFBGYYKY-IYBDPMFKSA-N 2 1 333.476 1.977 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000357616816 151086598 /nfs/dbraw/zinc/08/65/98/151086598.db2.gz VJWWXVVGAOXDGN-CQSZACIVSA-N 2 1 349.475 1.955 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@]2(O)CC[NH+](C)C2)cc1)C1CC1 ZINC000358058106 151251761 /nfs/dbraw/zinc/25/17/61/151251761.db2.gz BVZYWXSFZOGKRN-LJQANCHMSA-N 2 1 331.460 1.467 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1)C1CC1 ZINC000358058106 151251762 /nfs/dbraw/zinc/25/17/62/151251762.db2.gz BVZYWXSFZOGKRN-LJQANCHMSA-N 2 1 331.460 1.467 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1)C1CC1 ZINC000358058106 151251763 /nfs/dbraw/zinc/25/17/63/151251763.db2.gz BVZYWXSFZOGKRN-LJQANCHMSA-N 2 1 331.460 1.467 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C(=O)NC)[C@H](C)C1 ZINC000358235007 151314171 /nfs/dbraw/zinc/31/41/71/151314171.db2.gz HRUZBZZYYIQZKO-LTIDMASMSA-N 2 1 325.497 1.628 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358509087 151399781 /nfs/dbraw/zinc/39/97/81/151399781.db2.gz MRHVDJZDTLVDIY-KRWDZBQOSA-N 2 1 345.487 1.954 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH2+]C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000417119163 304374192 /nfs/dbraw/zinc/37/41/92/304374192.db2.gz SPULWUVKXFWRND-CYBMUJFWSA-N 2 1 336.505 1.936 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH2+]C1CC1)[N@H+]1CCc2sccc2C1 ZINC000417119163 304374193 /nfs/dbraw/zinc/37/41/93/304374193.db2.gz SPULWUVKXFWRND-CYBMUJFWSA-N 2 1 336.505 1.936 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000360400360 152021237 /nfs/dbraw/zinc/02/12/37/152021237.db2.gz ZGSJGZFOJASREG-HOCLYGCPSA-N 2 1 328.526 1.455 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)CC[NH+](C)C)[C@H](C)C1 ZINC000360793093 152206886 /nfs/dbraw/zinc/20/68/86/152206886.db2.gz CSMZCFKQSWCOTA-IKGGRYGDSA-N 2 1 342.528 1.763 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H]1Cc2cccc(F)c2O1 ZINC000360943715 152259677 /nfs/dbraw/zinc/25/96/77/152259677.db2.gz YEEWLGLXKDHGKF-QGZVFWFLSA-N 2 1 349.450 1.614 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1Cc2cccc(F)c2O1 ZINC000360943715 152259678 /nfs/dbraw/zinc/25/96/78/152259678.db2.gz YEEWLGLXKDHGKF-QGZVFWFLSA-N 2 1 349.450 1.614 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000361083381 152297806 /nfs/dbraw/zinc/29/78/06/152297806.db2.gz GWLBRFGRCRQFRM-NJAFHUGGSA-N 2 1 337.508 1.772 20 0 EDADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)CC1 ZINC000361180807 152327895 /nfs/dbraw/zinc/32/78/95/152327895.db2.gz YJBPVTOEHLSJGK-IRXDYDNUSA-N 2 1 338.496 1.412 20 0 EDADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)CC1 ZINC000361180807 152327899 /nfs/dbraw/zinc/32/78/99/152327899.db2.gz YJBPVTOEHLSJGK-IRXDYDNUSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H](NC(=O)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000361428151 152391687 /nfs/dbraw/zinc/39/16/87/152391687.db2.gz AQOGKJIGFGZHHS-MJGOQNOKSA-N 2 1 344.503 1.576 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000363558064 153000107 /nfs/dbraw/zinc/00/01/07/153000107.db2.gz ORAAMDWQNYIUDH-XDNAFOTISA-N 2 1 334.508 1.844 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000363558064 153000108 /nfs/dbraw/zinc/00/01/08/153000108.db2.gz ORAAMDWQNYIUDH-XDNAFOTISA-N 2 1 334.508 1.844 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000363558064 153000110 /nfs/dbraw/zinc/00/01/10/153000110.db2.gz ORAAMDWQNYIUDH-XDNAFOTISA-N 2 1 334.508 1.844 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC[C@H](CO)C1)c1ccccc1 ZINC000363827196 153068373 /nfs/dbraw/zinc/06/83/73/153068373.db2.gz RUMSVCFQOOQBPX-FUHWJXTLSA-N 2 1 333.476 1.500 20 0 EDADMP CC(C)c1noc(CCC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000364205461 153173110 /nfs/dbraw/zinc/17/31/10/153173110.db2.gz GUFUBQPAGDQBFI-CQSZACIVSA-N 2 1 349.479 1.410 20 0 EDADMP CC(C)c1noc(CCC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000364205461 153173111 /nfs/dbraw/zinc/17/31/11/153173111.db2.gz GUFUBQPAGDQBFI-CQSZACIVSA-N 2 1 349.479 1.410 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[NH+]1CCSCC1 ZINC000364556613 153269264 /nfs/dbraw/zinc/26/92/64/153269264.db2.gz ZYBFCNLBEOMMRN-PVAVHDDUSA-N 2 1 348.516 1.628 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[NH+]1CCSCC1 ZINC000364556613 153269268 /nfs/dbraw/zinc/26/92/68/153269268.db2.gz ZYBFCNLBEOMMRN-PVAVHDDUSA-N 2 1 348.516 1.628 20 0 EDADMP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000364714606 153311640 /nfs/dbraw/zinc/31/16/40/153311640.db2.gz YLZJGPBMPQASQW-NVXWUHKLSA-N 2 1 346.475 1.547 20 0 EDADMP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000364714606 153311644 /nfs/dbraw/zinc/31/16/44/153311644.db2.gz YLZJGPBMPQASQW-NVXWUHKLSA-N 2 1 346.475 1.547 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000364734811 153319195 /nfs/dbraw/zinc/31/91/95/153319195.db2.gz LGKBTGKAIRVLKG-YKTARERQSA-N 2 1 337.508 1.756 20 0 EDADMP Cc1ccncc1CCC[N@H+]1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000367369815 154091668 /nfs/dbraw/zinc/09/16/68/154091668.db2.gz ICEFKUWLWDZSDY-YJBOKZPZSA-N 2 1 330.432 1.633 20 0 EDADMP COC[C@@H]([NH3+])C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000367550373 154171144 /nfs/dbraw/zinc/17/11/44/154171144.db2.gz IALTVUCWGRYZJE-UJJTZGENSA-N 2 1 331.460 1.614 20 0 EDADMP C[N@H+](CC(=O)NC[C@H]1CCCO1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367887568 154313494 /nfs/dbraw/zinc/31/34/94/154313494.db2.gz UXFOHODLXINLSF-GOSISDBHSA-N 2 1 346.475 1.525 20 0 EDADMP Cc1nccc(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)n1 ZINC000367958862 154344269 /nfs/dbraw/zinc/34/42/69/154344269.db2.gz TYCNPOYCCFEXMS-CQSZACIVSA-N 2 1 326.404 1.208 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CCCO1 ZINC000368067167 154394624 /nfs/dbraw/zinc/39/46/24/154394624.db2.gz VEPPVDNRPQGISU-AEFFLSMTSA-N 2 1 338.496 1.225 20 0 EDADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)o1 ZINC000369398503 155013899 /nfs/dbraw/zinc/01/38/99/155013899.db2.gz OCWIURNFDWLMMM-OAHLLOKOSA-N 2 1 335.448 1.667 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)o1 ZINC000369398503 155013902 /nfs/dbraw/zinc/01/39/02/155013902.db2.gz OCWIURNFDWLMMM-OAHLLOKOSA-N 2 1 335.448 1.667 20 0 EDADMP C[NH+]1CCC(CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000369656169 155121595 /nfs/dbraw/zinc/12/15/95/155121595.db2.gz JKXGVEBJJDZFOV-OKZBNKHCSA-N 2 1 334.508 1.844 20 0 EDADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1(C)C ZINC000344181251 286488734 /nfs/dbraw/zinc/48/87/34/286488734.db2.gz YODKOCYFXCOUDI-CVEARBPZSA-N 2 1 325.497 1.722 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000356135421 286509881 /nfs/dbraw/zinc/50/98/81/286509881.db2.gz VJASIXXVHFBZMB-KBXCAEBGSA-N 2 1 349.475 1.246 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000369658430 292352229 /nfs/dbraw/zinc/35/22/29/292352229.db2.gz DGMRNAMPSIGEHH-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000369658430 292352231 /nfs/dbraw/zinc/35/22/31/292352231.db2.gz DGMRNAMPSIGEHH-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000369658430 292352233 /nfs/dbraw/zinc/35/22/33/292352233.db2.gz DGMRNAMPSIGEHH-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP NC(=O)NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374056377 157125234 /nfs/dbraw/zinc/12/52/34/157125234.db2.gz YQKNVUWFIPKKIA-IBGZPJMESA-N 2 1 344.459 1.560 20 0 EDADMP NC(=O)NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374056377 157125239 /nfs/dbraw/zinc/12/52/39/157125239.db2.gz YQKNVUWFIPKKIA-IBGZPJMESA-N 2 1 344.459 1.560 20 0 EDADMP NC(=O)NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374056377 157125244 /nfs/dbraw/zinc/12/52/44/157125244.db2.gz YQKNVUWFIPKKIA-IBGZPJMESA-N 2 1 344.459 1.560 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC000374067537 157128199 /nfs/dbraw/zinc/12/81/99/157128199.db2.gz RUAMIXKZPFTVRD-UHFFFAOYSA-N 2 1 333.480 1.279 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC000374067537 157128201 /nfs/dbraw/zinc/12/82/01/157128201.db2.gz RUAMIXKZPFTVRD-UHFFFAOYSA-N 2 1 333.480 1.279 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000374516518 157315733 /nfs/dbraw/zinc/31/57/33/157315733.db2.gz YETIVIACKJWQGX-LJQANCHMSA-N 2 1 345.487 1.783 20 0 EDADMP CC[C@H](NC(=O)/C=C/C[NH+](C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000378156797 158095690 /nfs/dbraw/zinc/09/56/90/158095690.db2.gz AIBUJTVIVROOJI-PBKBVCMISA-N 2 1 345.487 1.900 20 0 EDADMP CC[C@H](NC(=O)/C=C/C[NH+](C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000378156797 158095693 /nfs/dbraw/zinc/09/56/93/158095693.db2.gz AIBUJTVIVROOJI-PBKBVCMISA-N 2 1 345.487 1.900 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@]2([NH+](C)C)CCOc3ccccc32)C1 ZINC000378189644 158104159 /nfs/dbraw/zinc/10/41/59/158104159.db2.gz YTQGOEWRLQCDSE-DOXZYTNZSA-N 2 1 331.460 1.812 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000378247904 158119945 /nfs/dbraw/zinc/11/99/45/158119945.db2.gz YWKHFMYRFZSKRH-IXDOHACOSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000378247904 158119946 /nfs/dbraw/zinc/11/99/46/158119946.db2.gz YWKHFMYRFZSKRH-IXDOHACOSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000378247904 158119948 /nfs/dbraw/zinc/11/99/48/158119948.db2.gz YWKHFMYRFZSKRH-IXDOHACOSA-N 2 1 338.496 1.269 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000352220671 162058470 /nfs/dbraw/zinc/05/84/70/162058470.db2.gz DCBZMIPBDOBRCT-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP COC(=O)CN(C)C(=O)CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352341785 162128526 /nfs/dbraw/zinc/12/85/26/162128526.db2.gz KBSLRAZMTQYWOV-UHFFFAOYSA-N 2 1 349.431 1.255 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)CCO1 ZINC000352440551 162183314 /nfs/dbraw/zinc/18/33/14/162183314.db2.gz PDSRRPICKASDIF-YJBOKZPZSA-N 2 1 335.492 1.573 20 0 EDADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000352506872 162218945 /nfs/dbraw/zinc/21/89/45/162218945.db2.gz AUAGNXSFMAVEIT-LJQANCHMSA-N 2 1 344.503 1.534 20 0 EDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000352506872 162218948 /nfs/dbraw/zinc/21/89/48/162218948.db2.gz AUAGNXSFMAVEIT-LJQANCHMSA-N 2 1 344.503 1.534 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H](C)C1 ZINC000355095643 287090410 /nfs/dbraw/zinc/09/04/10/287090410.db2.gz QJMABAJCBIVXOZ-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000073477756 287260710 /nfs/dbraw/zinc/26/07/10/287260710.db2.gz FBCNWZTTYYXAJL-SFHVURJKSA-N 2 1 344.503 1.657 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000073721357 287264218 /nfs/dbraw/zinc/26/42/18/287264218.db2.gz YZOSTRUPIQMDAU-QGZVFWFLSA-N 2 1 340.512 1.518 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000073721357 287264220 /nfs/dbraw/zinc/26/42/20/287264220.db2.gz YZOSTRUPIQMDAU-QGZVFWFLSA-N 2 1 340.512 1.518 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000073721357 287264221 /nfs/dbraw/zinc/26/42/21/287264221.db2.gz YZOSTRUPIQMDAU-QGZVFWFLSA-N 2 1 340.512 1.518 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)C1 ZINC000118898372 287348874 /nfs/dbraw/zinc/34/88/74/287348874.db2.gz RYZICIJZTZNCMT-CQSZACIVSA-N 2 1 341.415 1.269 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)CO[C@@H](C)COC)CC1 ZINC000639985889 452318658 /nfs/dbraw/zinc/31/86/58/452318658.db2.gz DYHCENVKYOGZIA-DLBZAZTESA-N 2 1 328.497 1.739 20 0 EDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000247225164 273015901 /nfs/dbraw/zinc/01/59/01/273015901.db2.gz XYEITKZSUWOPOU-HUUCEWRRSA-N 2 1 339.505 1.977 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000247225164 273015903 /nfs/dbraw/zinc/01/59/03/273015903.db2.gz XYEITKZSUWOPOU-HUUCEWRRSA-N 2 1 339.505 1.977 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC([NH+](C)CCCO)CC1)c1ccccc1 ZINC000270389858 273023140 /nfs/dbraw/zinc/02/31/40/273023140.db2.gz RTHABJNKOQZMFZ-LJQANCHMSA-N 2 1 347.503 1.985 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccccc1 ZINC000270389858 273023141 /nfs/dbraw/zinc/02/31/41/273023141.db2.gz RTHABJNKOQZMFZ-LJQANCHMSA-N 2 1 347.503 1.985 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)c1ccccc1 ZINC000270389858 273023142 /nfs/dbraw/zinc/02/31/42/273023142.db2.gz RTHABJNKOQZMFZ-LJQANCHMSA-N 2 1 347.503 1.985 20 0 EDADMP COc1cc2[nH+]c(NCC3=CC[N@H+](C)CC3)nc(N)c2cc1OC ZINC000273900500 268091082 /nfs/dbraw/zinc/09/10/82/268091082.db2.gz HUNAIZFFKSDNLX-UHFFFAOYSA-N 2 1 329.404 1.903 20 0 EDADMP COc1cc2[nH+]c(NCC3=CC[N@@H+](C)CC3)nc(N)c2cc1OC ZINC000273900500 268091085 /nfs/dbraw/zinc/09/10/85/268091085.db2.gz HUNAIZFFKSDNLX-UHFFFAOYSA-N 2 1 329.404 1.903 20 0 EDADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274854430 268223810 /nfs/dbraw/zinc/22/38/10/268223810.db2.gz RWOHCJPOXSMNGQ-GOEBONIOSA-N 2 1 332.448 1.332 20 0 EDADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274854430 268223813 /nfs/dbraw/zinc/22/38/13/268223813.db2.gz RWOHCJPOXSMNGQ-GOEBONIOSA-N 2 1 332.448 1.332 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000275164978 268289345 /nfs/dbraw/zinc/28/93/45/268289345.db2.gz BBQXSEJPLGVGHQ-HNNXBMFYSA-N 2 1 342.447 1.669 20 0 EDADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000275193367 268295303 /nfs/dbraw/zinc/29/53/03/268295303.db2.gz DONFBLSPNKBZCJ-OALUTQOASA-N 2 1 345.487 1.739 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000275193367 268295306 /nfs/dbraw/zinc/29/53/06/268295306.db2.gz DONFBLSPNKBZCJ-OALUTQOASA-N 2 1 345.487 1.739 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000275193367 268295307 /nfs/dbraw/zinc/29/53/07/268295307.db2.gz DONFBLSPNKBZCJ-OALUTQOASA-N 2 1 345.487 1.739 20 0 EDADMP CC(=O)CCc1ccc(OC[C@H](O)C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1 ZINC000275482543 268349489 /nfs/dbraw/zinc/34/94/89/268349489.db2.gz NHQJRNSAMGSYHB-RBUKOAKNSA-N 2 1 348.487 1.831 20 0 EDADMP CC(=O)CCc1ccc(OC[C@H](O)C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000275482543 268349490 /nfs/dbraw/zinc/34/94/90/268349490.db2.gz NHQJRNSAMGSYHB-RBUKOAKNSA-N 2 1 348.487 1.831 20 0 EDADMP CC(=O)CCc1ccc(OC[C@H](O)C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000275482543 268349492 /nfs/dbraw/zinc/34/94/92/268349492.db2.gz NHQJRNSAMGSYHB-RBUKOAKNSA-N 2 1 348.487 1.831 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@H]1CC[C@H](O)CC1)c1ccccc1 ZINC000275866189 268379780 /nfs/dbraw/zinc/37/97/80/268379780.db2.gz NGRGLZZDQZNZJF-KZNAEPCWSA-N 2 1 333.476 1.641 20 0 EDADMP CCN1CC[NH+](CCC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275805479 273129191 /nfs/dbraw/zinc/12/91/91/273129191.db2.gz ICODZKLECWLBLJ-UHFFFAOYSA-N 2 1 332.492 1.757 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000284168056 274103276 /nfs/dbraw/zinc/10/32/76/274103276.db2.gz USCQYZKVCLLGSL-SJORKVTESA-N 2 1 346.475 1.006 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000284168045 274103317 /nfs/dbraw/zinc/10/33/17/274103317.db2.gz USCQYZKVCLLGSL-DLBZAZTESA-N 2 1 346.475 1.006 20 0 EDADMP C[N@H+](CCO)C1CC[NH+](CCC(=O)N2CCCc3ccccc32)CC1 ZINC000284817785 274344659 /nfs/dbraw/zinc/34/46/59/274344659.db2.gz AIMYRRGPVJRCLX-UHFFFAOYSA-N 2 1 345.487 1.744 20 0 EDADMP C[N@@H+](CCO)C1CC[NH+](CCC(=O)N2CCCc3ccccc32)CC1 ZINC000284817785 274344661 /nfs/dbraw/zinc/34/46/61/274344661.db2.gz AIMYRRGPVJRCLX-UHFFFAOYSA-N 2 1 345.487 1.744 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H](C)C[NH2+]C)cc2)CC1 ZINC000236885973 276196590 /nfs/dbraw/zinc/19/65/90/276196590.db2.gz MMWRTGQRVDSDOB-MRXNPFEDSA-N 2 1 332.492 1.296 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000418435236 276239983 /nfs/dbraw/zinc/23/99/83/276239983.db2.gz AMAIBAAEFKMWMY-GOEBONIOSA-N 2 1 334.464 1.869 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccncc1 ZINC000080565237 276371043 /nfs/dbraw/zinc/37/10/43/276371043.db2.gz UZZMJRDZESPUMI-QGZVFWFLSA-N 2 1 333.480 1.639 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2c3ccccc3CC[C@H]2[NH+](C)C)C1 ZINC000369929771 276393047 /nfs/dbraw/zinc/39/30/47/276393047.db2.gz ZUCYQPYZQUERGZ-SQNIBIBYSA-N 2 1 331.460 1.441 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2c3ccccc3CC[C@H]2[NH+](C)C)C1 ZINC000369929771 276393048 /nfs/dbraw/zinc/39/30/48/276393048.db2.gz ZUCYQPYZQUERGZ-SQNIBIBYSA-N 2 1 331.460 1.441 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000237315138 277029982 /nfs/dbraw/zinc/02/99/82/277029982.db2.gz VLPGRXUMEUVHDM-KRWDZBQOSA-N 2 1 332.492 1.166 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CCC[N@H+](C)CC2)c2ccccc2)CC1 ZINC000111660892 277111348 /nfs/dbraw/zinc/11/13/48/277111348.db2.gz VLIBLECQMWIQCX-SFHVURJKSA-N 2 1 330.476 1.139 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CCC[N@@H+](C)CC2)c2ccccc2)CC1 ZINC000111660892 277111352 /nfs/dbraw/zinc/11/13/52/277111352.db2.gz VLIBLECQMWIQCX-SFHVURJKSA-N 2 1 330.476 1.139 20 0 EDADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000457891548 277150486 /nfs/dbraw/zinc/15/04/86/277150486.db2.gz BBBWISMGYIOXSL-MRXNPFEDSA-N 2 1 340.512 1.395 20 0 EDADMP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000332633392 277221597 /nfs/dbraw/zinc/22/15/97/277221597.db2.gz ZLRVIXVLOWUMFF-HOTGVXAUSA-N 2 1 343.537 1.796 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000106402489 277316500 /nfs/dbraw/zinc/31/65/00/277316500.db2.gz PUFNSSBEQPVFMX-GOSISDBHSA-N 2 1 345.487 1.566 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000106402489 277316502 /nfs/dbraw/zinc/31/65/02/277316502.db2.gz PUFNSSBEQPVFMX-GOSISDBHSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000125017567 277933026 /nfs/dbraw/zinc/93/30/26/277933026.db2.gz FPAQXISIMOTHPC-PMPSAXMXSA-N 2 1 331.460 1.730 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000179713604 278153028 /nfs/dbraw/zinc/15/30/28/278153028.db2.gz UFDQCWACHOJDQJ-DLBZAZTESA-N 2 1 332.492 1.259 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000179713604 278153030 /nfs/dbraw/zinc/15/30/30/278153030.db2.gz UFDQCWACHOJDQJ-DLBZAZTESA-N 2 1 332.492 1.259 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000364163389 278274980 /nfs/dbraw/zinc/27/49/80/278274980.db2.gz XQTVCKPONBGOPI-PMPSAXMXSA-N 2 1 333.480 1.865 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000364163389 278274981 /nfs/dbraw/zinc/27/49/81/278274981.db2.gz XQTVCKPONBGOPI-PMPSAXMXSA-N 2 1 333.480 1.865 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423348521 278664767 /nfs/dbraw/zinc/66/47/67/278664767.db2.gz UECLKZYVXYZYKQ-WMLDXEAASA-N 2 1 339.505 1.991 20 0 EDADMP Cc1cnn(C)c1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000286759349 288079641 /nfs/dbraw/zinc/07/96/41/288079641.db2.gz ZGHWBGDPMNNADN-ROUUACIJSA-N 2 1 328.460 1.701 20 0 EDADMP Cc1cnn(C)c1C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000286759349 288079642 /nfs/dbraw/zinc/07/96/42/288079642.db2.gz ZGHWBGDPMNNADN-ROUUACIJSA-N 2 1 328.460 1.701 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000487574396 279108144 /nfs/dbraw/zinc/10/81/44/279108144.db2.gz MYAYCMLUSQDMBF-MRXNPFEDSA-N 2 1 328.501 1.326 20 0 EDADMP CC(C)C[C@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000336871356 279161758 /nfs/dbraw/zinc/16/17/58/279161758.db2.gz FFPNJFZBBOZMTR-HZPDHXFCSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417025440 279287282 /nfs/dbraw/zinc/28/72/82/279287282.db2.gz RCLWRNLRDYXARG-SJLPKXTDSA-N 2 1 347.507 1.259 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000417025440 279287286 /nfs/dbraw/zinc/28/72/86/279287286.db2.gz RCLWRNLRDYXARG-SJLPKXTDSA-N 2 1 347.507 1.259 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000417025440 279287289 /nfs/dbraw/zinc/28/72/89/279287289.db2.gz RCLWRNLRDYXARG-SJLPKXTDSA-N 2 1 347.507 1.259 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000361502827 279341529 /nfs/dbraw/zinc/34/15/29/279341529.db2.gz YSSKDENBVSPOST-IAGOWNOFSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000361502827 279341530 /nfs/dbraw/zinc/34/15/30/279341530.db2.gz YSSKDENBVSPOST-IAGOWNOFSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000266953524 279395642 /nfs/dbraw/zinc/39/56/42/279395642.db2.gz VGHOKUUUPACYJD-QFBILLFUSA-N 2 1 345.487 1.642 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000266953524 279395644 /nfs/dbraw/zinc/39/56/44/279395644.db2.gz VGHOKUUUPACYJD-QFBILLFUSA-N 2 1 345.487 1.642 20 0 EDADMP C[C@@H]1C[N@@H+](CCO[C@H]2CCCCO2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000373073977 288180416 /nfs/dbraw/zinc/18/04/16/288180416.db2.gz IKNVDDBBLPAVMI-SQNIBIBYSA-N 2 1 325.497 1.487 20 0 EDADMP CC(C)[C@@H]1CN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@H+]1C ZINC000497159338 280014127 /nfs/dbraw/zinc/01/41/27/280014127.db2.gz JANAGPJQJODBFP-FUHWJXTLSA-N 2 1 336.480 1.133 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000355481039 280243095 /nfs/dbraw/zinc/24/30/95/280243095.db2.gz MCRBZCFLJQKFEB-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000355481039 280243098 /nfs/dbraw/zinc/24/30/98/280243098.db2.gz MCRBZCFLJQKFEB-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000291724729 289162415 /nfs/dbraw/zinc/16/24/15/289162415.db2.gz HRWXEKGAITXYMX-LMMKCTJWSA-N 2 1 344.503 1.402 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000291724729 289162417 /nfs/dbraw/zinc/16/24/17/289162417.db2.gz HRWXEKGAITXYMX-LMMKCTJWSA-N 2 1 344.503 1.402 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000292030665 289243596 /nfs/dbraw/zinc/24/35/96/289243596.db2.gz GTNZYINUMSVZOU-IBGZPJMESA-N 2 1 344.503 1.582 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)CCCC[NH+]2CCOCC2)CCSC1 ZINC000359635408 289399087 /nfs/dbraw/zinc/39/90/87/289399087.db2.gz HCMNYYZPAGBMFO-INIZCTEOSA-N 2 1 329.510 1.042 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CCCCCC[NH3+])C[C@H](C)O1 ZINC000237675493 297013964 /nfs/dbraw/zinc/01/39/64/297013964.db2.gz TUZBPVCVCWVLHL-BBWFWOEESA-N 2 1 325.497 1.996 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@H](CC[NH3+])C(F)F)C[C@H](C)O1 ZINC000418710076 297015632 /nfs/dbraw/zinc/01/56/32/297015632.db2.gz LFVBIQSVXAPJET-RFQIPJPRSA-N 2 1 348.438 1.252 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@H](CC[NH3+])C(F)F)C[C@H](C)O1 ZINC000418710076 297015633 /nfs/dbraw/zinc/01/56/33/297015633.db2.gz LFVBIQSVXAPJET-RFQIPJPRSA-N 2 1 348.438 1.252 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000262010532 295392400 /nfs/dbraw/zinc/39/24/00/295392400.db2.gz QSTDUMPNICRRPD-RDJZCZTQSA-N 2 1 331.460 1.948 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000458362373 447323495 /nfs/dbraw/zinc/32/34/95/447323495.db2.gz SCMZTMSNOIUKIX-SJORKVTESA-N 2 1 340.512 1.349 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000458362373 447323508 /nfs/dbraw/zinc/32/35/08/447323508.db2.gz SCMZTMSNOIUKIX-SJORKVTESA-N 2 1 340.512 1.349 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000458362373 447323516 /nfs/dbraw/zinc/32/35/16/447323516.db2.gz SCMZTMSNOIUKIX-SJORKVTESA-N 2 1 340.512 1.349 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000458362373 447323523 /nfs/dbraw/zinc/32/35/23/447323523.db2.gz SCMZTMSNOIUKIX-SJORKVTESA-N 2 1 340.512 1.349 20 0 EDADMP CCS(=O)(=O)CCCCC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660481069 453335658 /nfs/dbraw/zinc/33/56/58/453335658.db2.gz YHPNQCYEHJJQJA-QGZVFWFLSA-N 2 1 346.537 1.778 20 0 EDADMP CCS(=O)(=O)CCCCCN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660481069 453335671 /nfs/dbraw/zinc/33/56/71/453335671.db2.gz YHPNQCYEHJJQJA-QGZVFWFLSA-N 2 1 346.537 1.778 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3sccc3CN(C)C)[C@H]2C1 ZINC000293963240 303044988 /nfs/dbraw/zinc/04/49/88/303044988.db2.gz TWAHUMYJLBGDQJ-LSDHHAIUSA-N 2 1 337.489 1.745 20 0 EDADMP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3sccc3C[NH+](C)C)[C@H]2C1 ZINC000293963240 303044989 /nfs/dbraw/zinc/04/49/89/303044989.db2.gz TWAHUMYJLBGDQJ-LSDHHAIUSA-N 2 1 337.489 1.745 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cn2cc[nH+]c12 ZINC000293983504 303047542 /nfs/dbraw/zinc/04/75/42/303047542.db2.gz BXSUNZGTTQSFSA-ZFWWWQNUSA-N 2 1 343.431 1.426 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn2cc[nH+]c12 ZINC000293983504 303047544 /nfs/dbraw/zinc/04/75/44/303047544.db2.gz BXSUNZGTTQSFSA-ZFWWWQNUSA-N 2 1 343.431 1.426 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458386822 447339430 /nfs/dbraw/zinc/33/94/30/447339430.db2.gz WVYPKBAMMIGVBV-JKSUJKDBSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458386822 447339433 /nfs/dbraw/zinc/33/94/33/447339433.db2.gz WVYPKBAMMIGVBV-JKSUJKDBSA-N 2 1 326.485 1.007 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414879611 447340248 /nfs/dbraw/zinc/34/02/48/447340248.db2.gz PHFAKBLFCAMNQV-KRWDZBQOSA-N 2 1 346.475 1.855 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)/C=C\C[NH+](C)C ZINC000493574224 447345253 /nfs/dbraw/zinc/34/52/53/447345253.db2.gz ABWDZNTUOSXPHW-PMBGHPPTSA-N 2 1 345.487 1.758 20 0 EDADMP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423100026 304886024 /nfs/dbraw/zinc/88/60/24/304886024.db2.gz BFHOBSJMPGGSAA-OLZOCXBDSA-N 2 1 331.869 1.396 20 0 EDADMP CS(=O)(=O)CC1(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425895360 304976322 /nfs/dbraw/zinc/97/63/22/304976322.db2.gz IGVKKCJWSDYYOY-UHFFFAOYSA-N 2 1 327.450 1.056 20 0 EDADMP CSC[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000429286733 305027682 /nfs/dbraw/zinc/02/76/82/305027682.db2.gz SMAHLSSNINCYJC-CQSZACIVSA-N 2 1 325.522 1.804 20 0 EDADMP Cc1cccc(C)c1OCCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430608861 305058591 /nfs/dbraw/zinc/05/85/91/305058591.db2.gz GJIAZEMUSKNHIX-KRWDZBQOSA-N 2 1 333.476 1.859 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000430611861 305058958 /nfs/dbraw/zinc/05/89/58/305058958.db2.gz PWZYXCRJRUKQBB-HOCLYGCPSA-N 2 1 349.475 1.422 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000430611861 305058959 /nfs/dbraw/zinc/05/89/59/305058959.db2.gz PWZYXCRJRUKQBB-HOCLYGCPSA-N 2 1 349.475 1.422 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](CCSc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430621821 305059594 /nfs/dbraw/zinc/05/95/94/305059594.db2.gz KJGPUSVTMJIIGV-MRXNPFEDSA-N 2 1 333.501 1.923 20 0 EDADMP CN(CC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000430620612 305059690 /nfs/dbraw/zinc/05/96/90/305059690.db2.gz CDJGMKYRAZEAKR-QGZVFWFLSA-N 2 1 330.476 1.267 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000430639930 305060744 /nfs/dbraw/zinc/06/07/44/305060744.db2.gz QFAJNNZECXFXEL-CQSZACIVSA-N 2 1 339.867 1.896 20 0 EDADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430639684 305060764 /nfs/dbraw/zinc/06/07/64/305060764.db2.gz IOELBDIZUOOFTJ-DZGCQCFKSA-N 2 1 343.431 1.585 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000430913361 305067702 /nfs/dbraw/zinc/06/77/02/305067702.db2.gz UNEPHRQRIUWHQC-KRWDZBQOSA-N 2 1 335.448 1.312 20 0 EDADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC1 ZINC000430948985 305070088 /nfs/dbraw/zinc/07/00/88/305070088.db2.gz MHZYGWWIXZNZSY-CYBMUJFWSA-N 2 1 332.448 1.386 20 0 EDADMP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000430961009 305071066 /nfs/dbraw/zinc/07/10/66/305071066.db2.gz BAZSVZNNPAVCAP-ZDUSSCGKSA-N 2 1 341.477 1.623 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000433176186 305102298 /nfs/dbraw/zinc/10/22/98/305102298.db2.gz RQJMSAWCRAIYNU-WMZOPIPTSA-N 2 1 332.492 1.544 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433338600 305106105 /nfs/dbraw/zinc/10/61/05/305106105.db2.gz WSCVWFAAZGQXBE-CVEARBPZSA-N 2 1 328.501 1.517 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433338600 305106106 /nfs/dbraw/zinc/10/61/06/305106106.db2.gz WSCVWFAAZGQXBE-CVEARBPZSA-N 2 1 328.501 1.517 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433338600 305106107 /nfs/dbraw/zinc/10/61/07/305106107.db2.gz WSCVWFAAZGQXBE-CVEARBPZSA-N 2 1 328.501 1.517 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433385516 305107320 /nfs/dbraw/zinc/10/73/20/305107320.db2.gz BHRQVDRLJLMXLK-HOTGVXAUSA-N 2 1 348.495 1.587 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433385694 305107381 /nfs/dbraw/zinc/10/73/81/305107381.db2.gz YSKOEDCZGMVHQR-HUUCEWRRSA-N 2 1 348.495 1.443 20 0 EDADMP CC[N@H+](CCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1)C1CC1 ZINC000434097098 305117833 /nfs/dbraw/zinc/11/78/33/305117833.db2.gz CVUSSIKVCIZEKN-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@@H+](CCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1)C1CC1 ZINC000434097098 305117834 /nfs/dbraw/zinc/11/78/34/305117834.db2.gz CVUSSIKVCIZEKN-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+](CCNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C1CC1 ZINC000434097098 305117835 /nfs/dbraw/zinc/11/78/35/305117835.db2.gz CVUSSIKVCIZEKN-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+](CCNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C1CC1 ZINC000434097098 305117836 /nfs/dbraw/zinc/11/78/36/305117836.db2.gz CVUSSIKVCIZEKN-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OCC(=O)NCC3CC3)C[C@@H]12 ZINC000435387240 305139569 /nfs/dbraw/zinc/13/95/69/305139569.db2.gz YPKAEEZDFUGMFO-KBAYOESNSA-N 2 1 343.471 1.761 20 0 EDADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000435389952 305139793 /nfs/dbraw/zinc/13/97/93/305139793.db2.gz NNIHSQQKIOUAQV-MRXNPFEDSA-N 2 1 331.460 1.762 20 0 EDADMP C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1CC(C)(C)O ZINC000435858406 305148361 /nfs/dbraw/zinc/14/83/61/305148361.db2.gz OUCKWLMCZWLNAX-HNNXBMFYSA-N 2 1 340.512 1.347 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000436293758 305155499 /nfs/dbraw/zinc/15/54/99/305155499.db2.gz DQWCYVIMDVUTRY-DLBZAZTESA-N 2 1 331.460 1.570 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000436293758 305155500 /nfs/dbraw/zinc/15/55/00/305155500.db2.gz DQWCYVIMDVUTRY-DLBZAZTESA-N 2 1 331.460 1.570 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438888235 305190597 /nfs/dbraw/zinc/19/05/97/305190597.db2.gz BVVLZJKHTOZBED-ULFGMLNVSA-N 2 1 326.444 1.637 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414900715 447348944 /nfs/dbraw/zinc/34/89/44/447348944.db2.gz INADOUMWXPONOM-GOSISDBHSA-N 2 1 336.480 1.931 20 0 EDADMP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000440956981 305214651 /nfs/dbraw/zinc/21/46/51/305214651.db2.gz LQFKCBWVXYHLRN-WMZOPIPTSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1CC[C@@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000442856763 305230282 /nfs/dbraw/zinc/23/02/82/305230282.db2.gz YZKVUXQKZMLJBI-SFHVURJKSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000442856763 305230283 /nfs/dbraw/zinc/23/02/83/305230283.db2.gz YZKVUXQKZMLJBI-SFHVURJKSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000442856763 305230284 /nfs/dbraw/zinc/23/02/84/305230284.db2.gz YZKVUXQKZMLJBI-SFHVURJKSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442899596 305230867 /nfs/dbraw/zinc/23/08/67/305230867.db2.gz LITFJEWJHUNYSI-UHFFFAOYSA-N 2 1 335.496 1.539 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442899596 305230868 /nfs/dbraw/zinc/23/08/68/305230868.db2.gz LITFJEWJHUNYSI-UHFFFAOYSA-N 2 1 335.496 1.539 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NCC[N@H+]2CCCC(C)(C)C2)CCSC1 ZINC000445103430 305256319 /nfs/dbraw/zinc/25/63/19/305256319.db2.gz FLYLORQZWJDHGC-QGZVFWFLSA-N 2 1 342.553 1.845 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000446365060 305263840 /nfs/dbraw/zinc/26/38/40/305263840.db2.gz YUDTVJFOVFJIIC-MIALQEHNSA-N 2 1 349.519 1.709 20 0 EDADMP Cc1ccc(NC(=O)CC[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)nc1 ZINC000447008333 305272691 /nfs/dbraw/zinc/27/26/91/305272691.db2.gz UXHJMMGLLHQDAI-INIZCTEOSA-N 2 1 348.491 1.743 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425898065 447355010 /nfs/dbraw/zinc/35/50/10/447355010.db2.gz XRAFXEKMYRKDLP-INIZCTEOSA-N 3 1 336.480 1.468 20 0 EDADMP OC[C@@H]1CCC[N@@H+]1CCCCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425898065 447355018 /nfs/dbraw/zinc/35/50/18/447355018.db2.gz XRAFXEKMYRKDLP-INIZCTEOSA-N 2 1 336.480 1.468 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425898065 447355024 /nfs/dbraw/zinc/35/50/24/447355024.db2.gz XRAFXEKMYRKDLP-INIZCTEOSA-N 2 1 336.480 1.468 20 0 EDADMP CSC1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[NH+](C)CC1 ZINC000515507637 305723685 /nfs/dbraw/zinc/72/36/85/305723685.db2.gz HEUBVLSNOVPOQE-UHFFFAOYSA-N 2 1 345.472 1.825 20 0 EDADMP Cc1c[nH+]cn1Cc1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000528148035 305865713 /nfs/dbraw/zinc/86/57/13/305865713.db2.gz QDLBMMPXIAWZGY-UHFFFAOYSA-N 2 1 328.376 1.625 20 0 EDADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187497 305976309 /nfs/dbraw/zinc/97/63/09/305976309.db2.gz GKHIJXVEQMOZPO-CABCVRRESA-N 2 1 338.521 1.493 20 0 EDADMP C[NH+]1CCC([C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)CC1 ZINC000544617902 306077274 /nfs/dbraw/zinc/07/72/74/306077274.db2.gz LSERDMQVFUJZJB-MRXNPFEDSA-N 2 1 330.476 1.952 20 0 EDADMP CN1CC[NH+](CCCCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548388096 306126149 /nfs/dbraw/zinc/12/61/49/306126149.db2.gz PVXROCKDINTAMO-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP C[N@H+](CCC(=O)NCCCCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000548388096 306126150 /nfs/dbraw/zinc/12/61/50/306126150.db2.gz PVXROCKDINTAMO-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP C[N@@H+](CCC(=O)NCCCCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000548388096 306126151 /nfs/dbraw/zinc/12/61/51/306126151.db2.gz PVXROCKDINTAMO-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP CNC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000552040887 306174348 /nfs/dbraw/zinc/17/43/48/306174348.db2.gz FUWXGODZGRZYHJ-KURKYZTESA-N 2 1 331.460 1.774 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000414949978 447371014 /nfs/dbraw/zinc/37/10/14/447371014.db2.gz GYZUMPALYDTXSK-ZENOOKHLSA-N 2 1 333.432 1.920 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000426041722 447383714 /nfs/dbraw/zinc/38/37/14/447383714.db2.gz HCLVUEFWKHZNTE-IIAWOOMASA-N 2 1 345.553 1.897 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000426067510 447385834 /nfs/dbraw/zinc/38/58/34/447385834.db2.gz SBJIIYJEBRVLDJ-HRCADAONSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000426067510 447385840 /nfs/dbraw/zinc/38/58/40/447385840.db2.gz SBJIIYJEBRVLDJ-HRCADAONSA-N 2 1 338.496 1.364 20 0 EDADMP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)CC1 ZINC000426116108 447390736 /nfs/dbraw/zinc/39/07/36/447390736.db2.gz SVMQHIGOASAHIY-SFHVURJKSA-N 2 1 334.508 1.288 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000458538499 447404286 /nfs/dbraw/zinc/40/42/86/447404286.db2.gz AABBWWFAQTTWOA-GDAAHCPNSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000458538499 447404292 /nfs/dbraw/zinc/40/42/92/447404292.db2.gz AABBWWFAQTTWOA-GDAAHCPNSA-N 2 1 342.487 1.995 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419779057 447406591 /nfs/dbraw/zinc/40/65/91/447406591.db2.gz PDPJAYPKLJUIIZ-HZPDHXFCSA-N 2 1 346.475 1.039 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000458544918 447407038 /nfs/dbraw/zinc/40/70/38/447407038.db2.gz VPOHHNLEGRLMOU-IRXDYDNUSA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000458544918 447407041 /nfs/dbraw/zinc/40/70/41/447407041.db2.gz VPOHHNLEGRLMOU-IRXDYDNUSA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000458544918 447407042 /nfs/dbraw/zinc/40/70/42/447407042.db2.gz VPOHHNLEGRLMOU-IRXDYDNUSA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000057559667 441122661 /nfs/dbraw/zinc/12/26/61/441122661.db2.gz ACRZPPWNHIZYOD-UHFFFAOYSA-N 2 1 334.420 1.435 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000085363356 441433757 /nfs/dbraw/zinc/43/37/57/441433757.db2.gz JSXVESRCSGCARB-JKSUJKDBSA-N 2 1 342.528 1.619 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000112206245 441546327 /nfs/dbraw/zinc/54/63/27/441546327.db2.gz GLIZBZHUFNSHIJ-XWTMOSNGSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000066176824 441509792 /nfs/dbraw/zinc/50/97/92/441509792.db2.gz YFTQZYJCLCPGCG-DLBZAZTESA-N 2 1 338.496 1.223 20 0 EDADMP CC[NH+]1CCN([C@@H](C)CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000112917196 441567298 /nfs/dbraw/zinc/56/72/98/441567298.db2.gz JQAKPVPOYLXXSF-KRWDZBQOSA-N 2 1 332.492 1.261 20 0 EDADMP CC[NH+]1CCN([C@@H](C)CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000112917196 441567301 /nfs/dbraw/zinc/56/73/01/441567301.db2.gz JQAKPVPOYLXXSF-KRWDZBQOSA-N 2 1 332.492 1.261 20 0 EDADMP COC(=O)CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(C)C ZINC000114455739 441658181 /nfs/dbraw/zinc/65/81/81/441658181.db2.gz FRKFBVDNMFWBLW-UHFFFAOYSA-N 2 1 341.496 1.497 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173410145 441738769 /nfs/dbraw/zinc/73/87/69/441738769.db2.gz FBKOXPGFIFVWSJ-MSOLQXFVSA-N 2 1 332.492 1.907 20 0 EDADMP C[C@H](O)C1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000158517752 441743158 /nfs/dbraw/zinc/74/31/58/441743158.db2.gz CQSCSUMBEOWZFL-MAUKXSAKSA-N 2 1 333.476 1.498 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)C1(C(=O)NCC[N@H+](C)C(C)C)CCC1 ZINC000137328545 441763632 /nfs/dbraw/zinc/76/36/32/441763632.db2.gz NPSOJTSKINCPRA-UHFFFAOYSA-N 2 1 340.512 1.070 20 0 EDADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000077407850 441775170 /nfs/dbraw/zinc/77/51/70/441775170.db2.gz LIHGGXLKXJBVPZ-QGZVFWFLSA-N 2 1 335.423 1.239 20 0 EDADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000077407850 441775174 /nfs/dbraw/zinc/77/51/74/441775174.db2.gz LIHGGXLKXJBVPZ-QGZVFWFLSA-N 2 1 335.423 1.239 20 0 EDADMP Cn1ccc(N2CCC[C@@H]([NH+]3CCC(C[NH+]4CCCC4)CC3)C2=O)n1 ZINC000173533528 441782250 /nfs/dbraw/zinc/78/22/50/441782250.db2.gz FNVMOIKORQYTTI-QGZVFWFLSA-N 2 1 345.491 1.723 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000121816979 441786435 /nfs/dbraw/zinc/78/64/35/441786435.db2.gz QAIXCSONYJFPCG-MRXNPFEDSA-N 2 1 348.491 1.801 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000121816979 441786439 /nfs/dbraw/zinc/78/64/39/441786439.db2.gz QAIXCSONYJFPCG-MRXNPFEDSA-N 2 1 348.491 1.801 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000173603739 441801938 /nfs/dbraw/zinc/80/19/38/441801938.db2.gz JIMRHSNUBCVDBY-ZWKOTPCHSA-N 3 1 336.524 1.347 20 0 EDADMP CCNC(=O)C[N@H+](CC)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000119330305 441928953 /nfs/dbraw/zinc/92/89/53/441928953.db2.gz RXMZKJQSZWRAAQ-UHFFFAOYSA-N 2 1 332.492 1.787 20 0 EDADMP CCNC(=O)C[N@@H+](CC)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000119330305 441928955 /nfs/dbraw/zinc/92/89/55/441928955.db2.gz RXMZKJQSZWRAAQ-UHFFFAOYSA-N 2 1 332.492 1.787 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000174692769 441953987 /nfs/dbraw/zinc/95/39/87/441953987.db2.gz BLLJSNPCSGBGPP-SFHVURJKSA-N 2 1 349.450 1.627 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000174692769 441953993 /nfs/dbraw/zinc/95/39/93/441953993.db2.gz BLLJSNPCSGBGPP-SFHVURJKSA-N 2 1 349.450 1.627 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175754207 442116426 /nfs/dbraw/zinc/11/64/26/442116426.db2.gz BHVZKLFYZUBLEX-KRWDZBQOSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000163350203 442160392 /nfs/dbraw/zinc/16/03/92/442160392.db2.gz NPYAEDSWKHYMAN-LMMKCTJWSA-N 2 1 344.503 1.654 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000163350203 442160398 /nfs/dbraw/zinc/16/03/98/442160398.db2.gz NPYAEDSWKHYMAN-LMMKCTJWSA-N 2 1 344.503 1.654 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccnc(-n2ccnc2)c1 ZINC000127007242 442161722 /nfs/dbraw/zinc/16/17/22/442161722.db2.gz HYRYQLGTQDOVTO-HZPDHXFCSA-N 2 1 341.415 1.250 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccnc(-n2ccnc2)c1 ZINC000127007242 442161723 /nfs/dbraw/zinc/16/17/23/442161723.db2.gz HYRYQLGTQDOVTO-HZPDHXFCSA-N 2 1 341.415 1.250 20 0 EDADMP C[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000166597220 442217735 /nfs/dbraw/zinc/21/77/35/442217735.db2.gz OJBPZHFMUCIQGP-QGZVFWFLSA-N 2 1 345.487 1.392 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000130700329 442354021 /nfs/dbraw/zinc/35/40/21/442354021.db2.gz QHHUGDMALGCLOK-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154341322 442334089 /nfs/dbraw/zinc/33/40/89/442334089.db2.gz ZVRPGACGJBOYQU-HIFRSBDPSA-N 2 1 341.883 1.589 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C[C@@H]3CC[NH2+]C3)c2)CCO1 ZINC000130548721 442349028 /nfs/dbraw/zinc/34/90/28/442349028.db2.gz CXFZYTBVHLNVPH-WBVHZDCISA-N 2 1 331.460 1.523 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C[C@@H]3CC[NH2+]C3)c2)CCO1 ZINC000130548721 442349030 /nfs/dbraw/zinc/34/90/30/442349030.db2.gz CXFZYTBVHLNVPH-WBVHZDCISA-N 2 1 331.460 1.523 20 0 EDADMP CN1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)[C@H](c2ccccc2)C1 ZINC000153938433 442312045 /nfs/dbraw/zinc/31/20/45/442312045.db2.gz HOQUKJHHIAHLMM-SJORKVTESA-N 2 1 333.501 1.939 20 0 EDADMP CN(CC(=O)N1CCN(C)C[C@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000153938433 442312050 /nfs/dbraw/zinc/31/20/50/442312050.db2.gz HOQUKJHHIAHLMM-SJORKVTESA-N 2 1 333.501 1.939 20 0 EDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132000922 442384947 /nfs/dbraw/zinc/38/49/47/442384947.db2.gz KEYUSOHENPNGSY-HOTGVXAUSA-N 2 1 331.526 1.464 20 0 EDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132000922 442384949 /nfs/dbraw/zinc/38/49/49/442384949.db2.gz KEYUSOHENPNGSY-HOTGVXAUSA-N 2 1 331.526 1.464 20 0 EDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132000922 442384951 /nfs/dbraw/zinc/38/49/51/442384951.db2.gz KEYUSOHENPNGSY-HOTGVXAUSA-N 2 1 331.526 1.464 20 0 EDADMP CC[C@H](C)C[N@@H+](CC)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000177860358 442391499 /nfs/dbraw/zinc/39/14/99/442391499.db2.gz OLWFOJLPSSJNDX-DLBZAZTESA-N 2 1 327.513 1.827 20 0 EDADMP CC[C@H](C)C[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000177860358 442391503 /nfs/dbraw/zinc/39/15/03/442391503.db2.gz OLWFOJLPSSJNDX-DLBZAZTESA-N 2 1 327.513 1.827 20 0 EDADMP CC[C@H](C)C[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000177860358 442391504 /nfs/dbraw/zinc/39/15/04/442391504.db2.gz OLWFOJLPSSJNDX-DLBZAZTESA-N 2 1 327.513 1.827 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CCN1CCOC ZINC000130984229 442361335 /nfs/dbraw/zinc/36/13/35/442361335.db2.gz MLBKGIJVEBYVKI-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1CCOC ZINC000130984229 442361340 /nfs/dbraw/zinc/36/13/40/442361340.db2.gz MLBKGIJVEBYVKI-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1CCOC ZINC000130984229 442361343 /nfs/dbraw/zinc/36/13/43/442361343.db2.gz MLBKGIJVEBYVKI-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1CCOC ZINC000130984229 442361344 /nfs/dbraw/zinc/36/13/44/442361344.db2.gz MLBKGIJVEBYVKI-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)[C@H](C)C1 ZINC000133287095 442411190 /nfs/dbraw/zinc/41/11/90/442411190.db2.gz OFOYDAIQWGGDFB-WBVHZDCISA-N 2 1 345.553 1.757 20 0 EDADMP O=C(C[N@@H+]1CC[C@H](Oc2ccncc2)C1)NCCOc1ccccc1 ZINC000156308551 442465058 /nfs/dbraw/zinc/46/50/58/442465058.db2.gz YNHLILXNNCAVHO-SFHVURJKSA-N 2 1 341.411 1.730 20 0 EDADMP O=C(C[N@H+]1CC[C@H](Oc2ccncc2)C1)NCCOc1ccccc1 ZINC000156308551 442465064 /nfs/dbraw/zinc/46/50/64/442465064.db2.gz YNHLILXNNCAVHO-SFHVURJKSA-N 2 1 341.411 1.730 20 0 EDADMP COCCN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000179562496 442475502 /nfs/dbraw/zinc/47/55/02/442475502.db2.gz JUJQICRCPRVZNL-HUUCEWRRSA-N 2 1 329.485 1.942 20 0 EDADMP C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000186969180 442638887 /nfs/dbraw/zinc/63/88/87/442638887.db2.gz UDUJTFARLGJSRL-JKSUJKDBSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000186969180 442638891 /nfs/dbraw/zinc/63/88/91/442638891.db2.gz UDUJTFARLGJSRL-JKSUJKDBSA-N 2 1 325.497 1.555 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000186893474 442627125 /nfs/dbraw/zinc/62/71/25/442627125.db2.gz IJCWNZDJQHNTNX-OAHLLOKOSA-N 2 1 325.497 1.410 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000187974906 442701281 /nfs/dbraw/zinc/70/12/81/442701281.db2.gz VADMHNVORUPPRN-AFAVFJNCSA-N 2 1 328.416 1.735 20 0 EDADMP CCc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc(=O)[nH]1 ZINC000181576345 442705030 /nfs/dbraw/zinc/70/50/30/442705030.db2.gz KXUMFCZPPWJFCR-KRWDZBQOSA-N 2 1 348.491 1.425 20 0 EDADMP C[C@H]1COCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000192559097 442662546 /nfs/dbraw/zinc/66/25/46/442662546.db2.gz MZNPCLWTNKEZJS-ZYSHUDEJSA-N 2 1 345.487 1.899 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](CC2CCC2)C(C)C)C1 ZINC000193202857 442721953 /nfs/dbraw/zinc/72/19/53/442721953.db2.gz AGWKOJYSTWNPOG-SFHVURJKSA-N 2 1 339.524 1.970 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)CC[C@@H](C)[NH3+])C2)cc(OC)c1 ZINC000193321613 442732724 /nfs/dbraw/zinc/73/27/24/442732724.db2.gz SWWOXLJSTZCZCC-HIFRSBDPSA-N 2 1 335.448 1.522 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)CC[C@@H](C)[NH3+])C2)cc(OC)c1 ZINC000193321613 442732726 /nfs/dbraw/zinc/73/27/26/442732726.db2.gz SWWOXLJSTZCZCC-HIFRSBDPSA-N 2 1 335.448 1.522 20 0 EDADMP CC1(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]CC1 ZINC000193363145 442736209 /nfs/dbraw/zinc/73/62/09/442736209.db2.gz FOTXUHBKKDCWFO-QGZVFWFLSA-N 2 1 331.460 1.536 20 0 EDADMP CC1(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]CC1 ZINC000193363145 442736212 /nfs/dbraw/zinc/73/62/12/442736212.db2.gz FOTXUHBKKDCWFO-QGZVFWFLSA-N 2 1 331.460 1.536 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000193525115 442750751 /nfs/dbraw/zinc/75/07/51/442750751.db2.gz ZFKYSAOUJPAIAI-CGTJXYLNSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000193525115 442750753 /nfs/dbraw/zinc/75/07/53/442750753.db2.gz ZFKYSAOUJPAIAI-CGTJXYLNSA-N 2 1 331.460 1.534 20 0 EDADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000193757310 442780504 /nfs/dbraw/zinc/78/05/04/442780504.db2.gz FEFFSBPEUWMCBB-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000193757310 442780510 /nfs/dbraw/zinc/78/05/10/442780510.db2.gz FEFFSBPEUWMCBB-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP CCC[NH+]1CC[C@@H](CNC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000193757310 442780516 /nfs/dbraw/zinc/78/05/16/442780516.db2.gz FEFFSBPEUWMCBB-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP CCC[NH+]1CC[C@@H](CNC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000193757310 442780521 /nfs/dbraw/zinc/78/05/21/442780521.db2.gz FEFFSBPEUWMCBB-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP CCC(CC)[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)CC)[NH+]1CCOCC1 ZINC000246734886 442808968 /nfs/dbraw/zinc/80/89/68/442808968.db2.gz MLADRYBYOKOQFC-WBVHZDCISA-N 2 1 327.513 1.970 20 0 EDADMP CCC(CC)[C@@H](C(=O)NCC[N@H+](C)[C@H](C)CC)[NH+]1CCOCC1 ZINC000246734886 442808971 /nfs/dbraw/zinc/80/89/71/442808971.db2.gz MLADRYBYOKOQFC-WBVHZDCISA-N 2 1 327.513 1.970 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH2+]1 ZINC000246886137 442820003 /nfs/dbraw/zinc/82/00/03/442820003.db2.gz IMQLBEHCRJXXGU-JZXOWHBKSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH2+]1 ZINC000246886137 442820007 /nfs/dbraw/zinc/82/00/07/442820007.db2.gz IMQLBEHCRJXXGU-JZXOWHBKSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000247164165 442838747 /nfs/dbraw/zinc/83/87/47/442838747.db2.gz UXWFHWDUMGLCFQ-DLBZAZTESA-N 2 1 338.496 1.082 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000194202901 442861316 /nfs/dbraw/zinc/86/13/16/442861316.db2.gz JVWGZHDESHHDIO-MRXNPFEDSA-N 2 1 347.507 1.623 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(C)s1 ZINC000182955939 442854850 /nfs/dbraw/zinc/85/48/50/442854850.db2.gz ICTGOOCVBPVYSW-UHFFFAOYSA-N 2 1 339.505 1.912 20 0 EDADMP COC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000265853659 442945896 /nfs/dbraw/zinc/94/58/96/442945896.db2.gz YXYWUFQGJUPSRT-UHOSZYNNSA-N 2 1 345.487 1.734 20 0 EDADMP COC[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000265853659 442945901 /nfs/dbraw/zinc/94/59/01/442945901.db2.gz YXYWUFQGJUPSRT-UHOSZYNNSA-N 2 1 345.487 1.734 20 0 EDADMP COC[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000265853659 442945907 /nfs/dbraw/zinc/94/59/07/442945907.db2.gz YXYWUFQGJUPSRT-UHOSZYNNSA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000249091233 442951159 /nfs/dbraw/zinc/95/11/59/442951159.db2.gz GYIVYVFSIPLQTA-HUUCEWRRSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000249091233 442951161 /nfs/dbraw/zinc/95/11/61/442951161.db2.gz GYIVYVFSIPLQTA-HUUCEWRRSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000249091233 442951162 /nfs/dbraw/zinc/95/11/62/442951162.db2.gz GYIVYVFSIPLQTA-HUUCEWRRSA-N 2 1 328.501 1.203 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000266132073 443028562 /nfs/dbraw/zinc/02/85/62/443028562.db2.gz CPEXNGGYHIDWCX-UHFFFAOYSA-N 2 1 337.464 1.325 20 0 EDADMP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000237889464 443186333 /nfs/dbraw/zinc/18/63/33/443186333.db2.gz XKPNWLZMVGJVNO-SFHVURJKSA-N 2 1 337.508 1.870 20 0 EDADMP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[NH+](CCc2cccs2)CC1 ZINC000269236157 443244403 /nfs/dbraw/zinc/24/44/03/443244403.db2.gz NBJVYDADJDQUFY-OAHLLOKOSA-N 2 1 337.489 1.203 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000266763129 443232583 /nfs/dbraw/zinc/23/25/83/443232583.db2.gz DUQIUQAWAUHDMS-HNNXBMFYSA-N 2 1 344.503 1.868 20 0 EDADMP CCC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262707253 443208335 /nfs/dbraw/zinc/20/83/35/443208335.db2.gz NFZAEFJQWPAADV-IAGOWNOFSA-N 2 1 346.475 1.128 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262771306 443211787 /nfs/dbraw/zinc/21/17/87/443211787.db2.gz MJSOSYLZQWCDBZ-YYIAUSFCSA-N 2 1 347.507 1.904 20 0 EDADMP COc1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(OC)c1 ZINC000358503740 319112852 /nfs/dbraw/zinc/11/28/52/319112852.db2.gz GFRSTWYFBMEXEN-UHFFFAOYSA-N 2 1 333.432 1.718 20 0 EDADMP CCCNC(=O)CCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000411222283 319170871 /nfs/dbraw/zinc/17/08/71/319170871.db2.gz NTKQEJPLBSQOFK-HDICACEKSA-N 2 1 338.540 1.783 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414193385 319318800 /nfs/dbraw/zinc/31/88/00/319318800.db2.gz MRSQNYSIIIAROP-FGTMMUONSA-N 3 1 338.540 1.101 20 0 EDADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414193385 319318802 /nfs/dbraw/zinc/31/88/02/319318802.db2.gz MRSQNYSIIIAROP-FGTMMUONSA-N 2 1 338.540 1.101 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000414682605 319341729 /nfs/dbraw/zinc/34/17/29/319341729.db2.gz YQADEWCETJVTIO-WMLDXEAASA-N 2 1 335.423 1.396 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000414682605 319341732 /nfs/dbraw/zinc/34/17/32/319341732.db2.gz YQADEWCETJVTIO-WMLDXEAASA-N 2 1 335.423 1.396 20 0 EDADMP CCOc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000415010680 319345429 /nfs/dbraw/zinc/34/54/29/319345429.db2.gz HBHLTTHETCKBIH-MGPQQGTHSA-N 2 1 337.464 1.766 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CC[NH2+]CC3)c2)C1 ZINC000415084724 319346395 /nfs/dbraw/zinc/34/63/95/319346395.db2.gz HMPXGCCEQAPOIB-KRWDZBQOSA-N 3 1 330.476 1.226 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC3CC[NH2+]CC3)c2)C1 ZINC000415084724 319346397 /nfs/dbraw/zinc/34/63/97/319346397.db2.gz HMPXGCCEQAPOIB-KRWDZBQOSA-N 2 1 330.476 1.226 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC3CC[NH2+]CC3)c2)C1 ZINC000415084724 319346399 /nfs/dbraw/zinc/34/63/99/319346399.db2.gz HMPXGCCEQAPOIB-KRWDZBQOSA-N 2 1 330.476 1.226 20 0 EDADMP C[NH2+]CCCNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415304021 319360558 /nfs/dbraw/zinc/36/05/58/319360558.db2.gz GRZVHBOZFSGDFI-HNNXBMFYSA-N 2 1 346.475 1.583 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)Nc2ccccc2C[NH2+]C)C[C@@H]1C ZINC000415904525 319383151 /nfs/dbraw/zinc/38/31/51/319383151.db2.gz RVEGZNXNHHOHJS-HNNXBMFYSA-N 2 1 334.464 1.981 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)Nc2ccccc2C[NH2+]C)C[C@@H]1C ZINC000415904525 319383153 /nfs/dbraw/zinc/38/31/53/319383153.db2.gz RVEGZNXNHHOHJS-HNNXBMFYSA-N 2 1 334.464 1.981 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000269308705 443276702 /nfs/dbraw/zinc/27/67/02/443276702.db2.gz VKBFUJNWHCDMLU-IBGZPJMESA-N 2 1 330.476 1.762 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000185810079 443261925 /nfs/dbraw/zinc/26/19/25/443261925.db2.gz GHXWATWAXYEQOC-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1C[C@H](C)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000416950753 319483702 /nfs/dbraw/zinc/48/37/02/319483702.db2.gz IAFUJADKCNQRAG-IMJJTQAJSA-N 2 1 326.485 1.112 20 0 EDADMP CC[C@@](C)(O)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000282472026 443350063 /nfs/dbraw/zinc/35/00/63/443350063.db2.gz KUMSZQMOTPSFHT-HXUWFJFHSA-N 2 1 347.503 1.814 20 0 EDADMP CC[C@@](C)(O)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000282472026 443350066 /nfs/dbraw/zinc/35/00/66/443350066.db2.gz KUMSZQMOTPSFHT-HXUWFJFHSA-N 2 1 347.503 1.814 20 0 EDADMP CC[N@@H+](CC(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)C1CC1 ZINC000269705911 443403930 /nfs/dbraw/zinc/40/39/30/443403930.db2.gz SIGRHEQIKGJOFZ-MRXNPFEDSA-N 2 1 331.464 1.645 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@H]1CCOC1 ZINC000267475244 443470652 /nfs/dbraw/zinc/47/06/52/443470652.db2.gz ZAAVWGCXGCDPDI-QRQLOZEOSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@H]1CCOC1 ZINC000267475244 443470658 /nfs/dbraw/zinc/47/06/58/443470658.db2.gz ZAAVWGCXGCDPDI-QRQLOZEOSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@H]1CCOC1 ZINC000267475244 443470662 /nfs/dbraw/zinc/47/06/62/443470662.db2.gz ZAAVWGCXGCDPDI-QRQLOZEOSA-N 2 1 345.487 1.734 20 0 EDADMP [NH3+][C@H]1CC[C@H](C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC000423718992 319806155 /nfs/dbraw/zinc/80/61/55/319806155.db2.gz BODQYIULSCDDHC-ROUUACIJSA-N 2 1 346.475 1.260 20 0 EDADMP Cc1nc[nH]c1CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000279318608 443554132 /nfs/dbraw/zinc/55/41/32/443554132.db2.gz FWHIVDIKPBUIBW-AEFFLSMTSA-N 2 1 342.443 1.260 20 0 EDADMP Cc1nc[nH]c1CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000279318608 443554134 /nfs/dbraw/zinc/55/41/34/443554134.db2.gz FWHIVDIKPBUIBW-AEFFLSMTSA-N 2 1 342.443 1.260 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444269859 320123708 /nfs/dbraw/zinc/12/37/08/320123708.db2.gz OUEKHBNSKUUSPG-UYAOXDASSA-N 2 1 342.487 1.267 20 0 EDADMP COc1nccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000449018292 320174581 /nfs/dbraw/zinc/17/45/81/320174581.db2.gz JGCTWRHCWLJKFU-GJZGRUSLSA-N 2 1 334.464 1.806 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2CCO)[C@H](C)C1 ZINC000453275193 320261717 /nfs/dbraw/zinc/26/17/17/320261717.db2.gz WQIYUICJMODPRR-QRVBRYPASA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2CCO)[C@H](C)C1 ZINC000453275193 320261718 /nfs/dbraw/zinc/26/17/18/320261718.db2.gz WQIYUICJMODPRR-QRVBRYPASA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2CCO)[C@H](C)C1 ZINC000453275193 320261719 /nfs/dbraw/zinc/26/17/19/320261719.db2.gz WQIYUICJMODPRR-QRVBRYPASA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+]2CCO)[C@H](C)C1 ZINC000453275193 320261720 /nfs/dbraw/zinc/26/17/20/320261720.db2.gz WQIYUICJMODPRR-QRVBRYPASA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+]2CCO)[C@H](C)C1 ZINC000453275193 320261721 /nfs/dbraw/zinc/26/17/21/320261721.db2.gz WQIYUICJMODPRR-QRVBRYPASA-N 2 1 341.540 1.560 20 0 EDADMP COCC[NH+]1CCC([N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453278502 320261727 /nfs/dbraw/zinc/26/17/27/320261727.db2.gz KKISIHARVFOLGG-OAHLLOKOSA-N 2 1 325.497 1.711 20 0 EDADMP COCC[NH+]1CCC([N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453278502 320261728 /nfs/dbraw/zinc/26/17/28/320261728.db2.gz KKISIHARVFOLGG-OAHLLOKOSA-N 2 1 325.497 1.711 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455838688 320304243 /nfs/dbraw/zinc/30/42/43/320304243.db2.gz CABBVWUXOGTKME-KDOFPFPSSA-N 2 1 346.475 1.766 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[NH+]1CCOCC1 ZINC000457590362 320329665 /nfs/dbraw/zinc/32/96/65/320329665.db2.gz FHWPVPDWPPKIQU-MRXNPFEDSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000479352213 320355445 /nfs/dbraw/zinc/35/54/45/320355445.db2.gz XNRHZOMZLVQSJO-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000479352213 320355446 /nfs/dbraw/zinc/35/54/46/320355446.db2.gz XNRHZOMZLVQSJO-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP CC(C)c1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n[nH]1 ZINC000516207901 320434787 /nfs/dbraw/zinc/43/47/87/320434787.db2.gz CKIXIHLVFKXCFT-UHFFFAOYSA-N 2 1 328.420 1.932 20 0 EDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000298359605 443753607 /nfs/dbraw/zinc/75/36/07/443753607.db2.gz KBRDWKHSMWPKFS-CQSZACIVSA-N 2 1 342.443 1.971 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)cn1 ZINC000529310437 320573456 /nfs/dbraw/zinc/57/34/56/320573456.db2.gz SHGCWUBSDBXQIN-HNNXBMFYSA-N 2 1 340.431 1.660 20 0 EDADMP O=C1[C@H]([NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCN1CC(F)(F)F ZINC000530241940 320617149 /nfs/dbraw/zinc/61/71/49/320617149.db2.gz RXJFNQMJBKMPOE-UONOGXRCSA-N 2 1 349.397 1.240 20 0 EDADMP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000530513403 320629312 /nfs/dbraw/zinc/62/93/12/320629312.db2.gz VYVLPOBLJUGWJK-CYBMUJFWSA-N 2 1 346.431 1.987 20 0 EDADMP CN(C)c1ccncc1CNC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000292951721 443886390 /nfs/dbraw/zinc/88/63/90/443886390.db2.gz IRZUKXZGCJVJDR-LJQANCHMSA-N 3 1 340.471 1.656 20 0 EDADMP CN(C)c1ccncc1CNC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000292951721 443886395 /nfs/dbraw/zinc/88/63/95/443886395.db2.gz IRZUKXZGCJVJDR-LJQANCHMSA-N 3 1 340.471 1.656 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000292990792 443897118 /nfs/dbraw/zinc/89/71/18/443897118.db2.gz INBQDRYDKAOKMA-ZDUSSCGKSA-N 2 1 331.420 1.428 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293010638 443901419 /nfs/dbraw/zinc/90/14/19/443901419.db2.gz PRCLGFKCDQQDEW-UYAOXDASSA-N 2 1 348.487 1.990 20 0 EDADMP [NH3+][C@@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000562817073 321078687 /nfs/dbraw/zinc/07/86/87/321078687.db2.gz RMOCGDPFOKCIFU-KSZLIROESA-N 2 1 328.460 1.497 20 0 EDADMP CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000562986975 321084764 /nfs/dbraw/zinc/08/47/64/321084764.db2.gz FJDFPUJTKZOCDK-MXWWQKGMSA-N 2 1 337.464 1.902 20 0 EDADMP [NH3+]CCCCC(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000563212985 321100800 /nfs/dbraw/zinc/10/08/00/321100800.db2.gz INEDJWQUCMTNDE-UHFFFAOYSA-N 2 1 345.447 1.505 20 0 EDADMP C[C@]1(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]C1 ZINC000565039810 321165478 /nfs/dbraw/zinc/16/54/78/321165478.db2.gz BEAUZHGOFOKHTP-IBGZPJMESA-N 2 1 330.476 1.315 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000566000703 321209685 /nfs/dbraw/zinc/20/96/85/321209685.db2.gz UCLSLIREPZYEME-AEFFLSMTSA-N 2 1 331.460 1.775 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000566000703 321209686 /nfs/dbraw/zinc/20/96/86/321209686.db2.gz UCLSLIREPZYEME-AEFFLSMTSA-N 2 1 331.460 1.775 20 0 EDADMP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000566107219 321215605 /nfs/dbraw/zinc/21/56/05/321215605.db2.gz GXXXPXFGRWULLV-LJQANCHMSA-N 2 1 336.476 1.784 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000567725870 321254627 /nfs/dbraw/zinc/25/46/27/321254627.db2.gz MNURBBNRSGPUNW-HNNXBMFYSA-N 2 1 332.510 1.028 20 0 EDADMP CC[C@]1(C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000567982661 321271284 /nfs/dbraw/zinc/27/12/84/321271284.db2.gz IIDOKCFOUTZYME-YVWKXTFCSA-N 2 1 345.487 1.924 20 0 EDADMP CC[C@]1(C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000567982661 321271286 /nfs/dbraw/zinc/27/12/86/321271286.db2.gz IIDOKCFOUTZYME-YVWKXTFCSA-N 2 1 345.487 1.924 20 0 EDADMP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568392085 321289324 /nfs/dbraw/zinc/28/93/24/321289324.db2.gz CCICHFDETUXLNH-LSDHHAIUSA-N 2 1 339.386 1.001 20 0 EDADMP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568392085 321289325 /nfs/dbraw/zinc/28/93/25/321289325.db2.gz CCICHFDETUXLNH-LSDHHAIUSA-N 2 1 339.386 1.001 20 0 EDADMP CC(C)OC[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000568741140 321303944 /nfs/dbraw/zinc/30/39/44/321303944.db2.gz NTCQCBKDXCVMIG-LJQANCHMSA-N 2 1 335.492 1.310 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C[NH+]1CCCC1 ZINC000569085534 321317676 /nfs/dbraw/zinc/31/76/76/321317676.db2.gz YRCXUCPJCYZLJY-NVXWUHKLSA-N 2 1 331.464 1.469 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)oc1C ZINC000289435539 444143288 /nfs/dbraw/zinc/14/32/88/444143288.db2.gz OAUUUVWEAIFNON-UHFFFAOYSA-N 2 1 325.453 1.690 20 0 EDADMP CN(C)C(=O)c1cccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000289485456 444155425 /nfs/dbraw/zinc/15/54/25/444155425.db2.gz SCWWRPFOXFUEAS-UHFFFAOYSA-N 2 1 334.508 1.704 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNc2cc(N3CCCC[C@@H]3CO)ncn2)C1 ZINC000302918426 444231855 /nfs/dbraw/zinc/23/18/55/444231855.db2.gz XRONUSTZAJDXOO-JKSUJKDBSA-N 2 1 333.480 1.972 20 0 EDADMP C[C@H](C(=O)N1CCCCC1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303319561 444236598 /nfs/dbraw/zinc/23/65/98/444236598.db2.gz USRWMJFKGHQYAH-JKSUJKDBSA-N 2 1 325.497 1.412 20 0 EDADMP COCCOC[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000311224360 444292634 /nfs/dbraw/zinc/29/26/34/444292634.db2.gz PDCDHPVRMMFOSM-XUVXKRRUSA-N 2 1 348.487 1.464 20 0 EDADMP COCCOC[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311224360 444292636 /nfs/dbraw/zinc/29/26/36/444292636.db2.gz PDCDHPVRMMFOSM-XUVXKRRUSA-N 2 1 348.487 1.464 20 0 EDADMP COCCOC[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311224360 444292640 /nfs/dbraw/zinc/29/26/40/444292640.db2.gz PDCDHPVRMMFOSM-XUVXKRRUSA-N 2 1 348.487 1.464 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000578120073 321724087 /nfs/dbraw/zinc/72/40/87/321724087.db2.gz LKDAAZAPIJJOFE-QAPCUYQASA-N 2 1 346.475 1.681 20 0 EDADMP [NH3+][C@H](CC(F)F)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000323427944 444343164 /nfs/dbraw/zinc/34/31/64/444343164.db2.gz VNQJBFCHPMRIQD-CQSZACIVSA-N 2 1 327.375 1.118 20 0 EDADMP COC[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000323563506 444343830 /nfs/dbraw/zinc/34/38/30/444343830.db2.gz URYADFNTHKKRDK-LJQANCHMSA-N 2 1 331.460 1.347 20 0 EDADMP CCC1(C)CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000337699537 444360638 /nfs/dbraw/zinc/36/06/38/444360638.db2.gz VNGZESWAGYIQCO-QGZVFWFLSA-N 2 1 339.524 1.972 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000331027887 444364838 /nfs/dbraw/zinc/36/48/38/444364838.db2.gz WJBNNGPJOORIDL-XHSDSOJGSA-N 2 1 325.497 1.599 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000327526548 444383079 /nfs/dbraw/zinc/38/30/79/444383079.db2.gz IYDJLHOLWFEYOR-WDSOQIARSA-N 2 1 346.519 1.711 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000337831019 444428305 /nfs/dbraw/zinc/42/83/05/444428305.db2.gz ZZNRAZDTGLZDJJ-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000337831019 444428308 /nfs/dbraw/zinc/42/83/08/444428308.db2.gz ZZNRAZDTGLZDJJ-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000337831019 444428310 /nfs/dbraw/zinc/42/83/10/444428310.db2.gz ZZNRAZDTGLZDJJ-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000340537616 444429661 /nfs/dbraw/zinc/42/96/61/444429661.db2.gz VOXXRMHSUYXPJR-LBPRGKRZSA-N 2 1 340.265 1.851 20 0 EDADMP Cc1[nH+]ccn1CCCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000337984686 444479932 /nfs/dbraw/zinc/47/99/32/444479932.db2.gz QQTBLGFYTSEVKP-UHFFFAOYSA-N 2 1 336.461 1.622 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000581120600 322138131 /nfs/dbraw/zinc/13/81/31/322138131.db2.gz VDKAVRMUVJFKBL-ZACQAIPSSA-N 2 1 339.528 1.075 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cccc4c3OCCO4)C2)nn1 ZINC000581179252 322145073 /nfs/dbraw/zinc/14/50/73/322145073.db2.gz XCTAHSMISZAQGS-HNNXBMFYSA-N 2 1 329.404 1.345 20 0 EDADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000581306150 322161682 /nfs/dbraw/zinc/16/16/82/322161682.db2.gz SGBXBMLHFHAVML-GOSISDBHSA-N 2 1 349.519 1.659 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[NH2+]1 ZINC000581596966 322196645 /nfs/dbraw/zinc/19/66/45/322196645.db2.gz PBTOENGYSMGWQG-QAPCUYQASA-N 2 1 346.475 1.459 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)COC1CCC([NH3+])CC1)[NH+](C)C ZINC000581604767 322198018 /nfs/dbraw/zinc/19/80/18/322198018.db2.gz VZNGEKNVLPQZFJ-VMBOVVBDSA-N 2 1 349.475 1.701 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000340822583 444527108 /nfs/dbraw/zinc/52/71/08/444527108.db2.gz NPMJTWFMCZTBNB-SJORKVTESA-N 2 1 340.512 1.110 20 0 EDADMP CCC[NH+](C)CC(=O)N1CCC[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC000343707549 444533883 /nfs/dbraw/zinc/53/38/83/444533883.db2.gz OXXQTBOPZLQFBW-MRXNPFEDSA-N 2 1 340.512 1.025 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC000343707549 444533887 /nfs/dbraw/zinc/53/38/87/444533887.db2.gz OXXQTBOPZLQFBW-MRXNPFEDSA-N 2 1 340.512 1.025 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC000343707549 444533890 /nfs/dbraw/zinc/53/38/90/444533890.db2.gz OXXQTBOPZLQFBW-MRXNPFEDSA-N 2 1 340.512 1.025 20 0 EDADMP C[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)CN1CC[NH+](C)CC1 ZINC000340848665 444541956 /nfs/dbraw/zinc/54/19/56/444541956.db2.gz IVSRAMQKPOVHDX-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)NCC2=CC[N@@H+](C)CC2)cc1F ZINC000343717622 444542947 /nfs/dbraw/zinc/54/29/47/444542947.db2.gz QKIUCJUQJMWISE-UHFFFAOYSA-N 2 1 334.439 1.948 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000333014339 444629546 /nfs/dbraw/zinc/62/95/46/444629546.db2.gz WBDUFPHXDWJXRE-MVJTYMMSSA-N 2 1 337.508 1.743 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1C ZINC000340956089 444596364 /nfs/dbraw/zinc/59/63/64/444596364.db2.gz QXJNGHMSAKGWDG-RDJZCZTQSA-N 2 1 348.491 1.909 20 0 EDADMP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338296551 444616761 /nfs/dbraw/zinc/61/67/61/444616761.db2.gz SSAGGLNWYBZKNO-AWEZNQCLSA-N 2 1 335.496 1.761 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000341059572 444658110 /nfs/dbraw/zinc/65/81/10/444658110.db2.gz XEXMLYBXSHODGR-SJORKVTESA-N 3 1 341.544 1.384 20 0 EDADMP C[C@H](CNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)[N@@H+](C)C1CC1 ZINC000333439098 444671169 /nfs/dbraw/zinc/67/11/69/444671169.db2.gz VUHHRMOTYVCNNO-XOKHGSTOSA-N 2 1 338.496 1.397 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000341187152 444716913 /nfs/dbraw/zinc/71/69/13/444716913.db2.gz CGNCYVIZQDBDQF-CABCVRRESA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000333938822 444723325 /nfs/dbraw/zinc/72/33/25/444723325.db2.gz MUTJYIJFXUFVQO-VNHYZAJKSA-N 2 1 336.505 1.792 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000333938822 444723327 /nfs/dbraw/zinc/72/33/27/444723327.db2.gz MUTJYIJFXUFVQO-VNHYZAJKSA-N 2 1 336.505 1.792 20 0 EDADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344023120 444733719 /nfs/dbraw/zinc/73/37/19/444733719.db2.gz HMMFJSKMPNJZIT-KRWDZBQOSA-N 2 1 326.529 1.449 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000341199392 444724002 /nfs/dbraw/zinc/72/40/02/444724002.db2.gz KJLHJXBXEXAYEG-UHFFFAOYSA-N 2 1 342.528 1.718 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CN(C)C[C@H]2C)c1 ZINC000344050143 444750850 /nfs/dbraw/zinc/75/08/50/444750850.db2.gz BJYYPXWUGLKARR-APWZRJJASA-N 2 1 335.492 1.683 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000334027172 444751935 /nfs/dbraw/zinc/75/19/35/444751935.db2.gz HXZIGGQGFZSQDN-UONOGXRCSA-N 2 1 333.480 1.889 20 0 EDADMP CCCC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)C(=O)Nc1cc(C)on1 ZINC000344080167 444770283 /nfs/dbraw/zinc/77/02/83/444770283.db2.gz BFCKKXWWEBCFHP-HUUCEWRRSA-N 2 1 345.447 2.529 20 0 EDADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000330233950 444899668 /nfs/dbraw/zinc/89/96/68/444899668.db2.gz YCUVKXIYKGWITF-KBPBESRZSA-N 2 1 334.468 1.706 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000330440186 444981877 /nfs/dbraw/zinc/98/18/77/444981877.db2.gz PLYCMMCBLYAVJY-UHFFFAOYSA-N 2 1 339.480 1.204 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000337376917 445054582 /nfs/dbraw/zinc/05/45/82/445054582.db2.gz SCYPOXNFMWFUJK-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000337376917 445054587 /nfs/dbraw/zinc/05/45/87/445054587.db2.gz SCYPOXNFMWFUJK-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000337376917 445054592 /nfs/dbraw/zinc/05/45/92/445054592.db2.gz SCYPOXNFMWFUJK-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000337376918 445054881 /nfs/dbraw/zinc/05/48/81/445054881.db2.gz SCYPOXNFMWFUJK-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000337376918 445054882 /nfs/dbraw/zinc/05/48/82/445054882.db2.gz SCYPOXNFMWFUJK-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000337376918 445054884 /nfs/dbraw/zinc/05/48/84/445054884.db2.gz SCYPOXNFMWFUJK-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000341915680 445070290 /nfs/dbraw/zinc/07/02/90/445070290.db2.gz DGIAEIKMPVHGCQ-SJORKVTESA-N 2 1 325.497 1.726 20 0 EDADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000341922518 445074044 /nfs/dbraw/zinc/07/40/44/445074044.db2.gz XIBGPUMWPFZGDL-QGZVFWFLSA-N 2 1 329.448 2.076 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000341922518 445074046 /nfs/dbraw/zinc/07/40/46/445074046.db2.gz XIBGPUMWPFZGDL-QGZVFWFLSA-N 2 1 329.448 2.076 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000341936713 445081943 /nfs/dbraw/zinc/08/19/43/445081943.db2.gz ANUIONSRGBNMPT-IVMMDQJWSA-N 2 1 326.510 1.206 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC[N@H+](C2CCC2)C1 ZINC000344717969 445136461 /nfs/dbraw/zinc/13/64/61/445136461.db2.gz CEWTXVHJEIIILC-GOEBONIOSA-N 2 1 325.522 1.757 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC[NH+](C2CCC2)C1 ZINC000344717969 445136463 /nfs/dbraw/zinc/13/64/63/445136463.db2.gz CEWTXVHJEIIILC-GOEBONIOSA-N 2 1 325.522 1.757 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC[NH+](C2CCC2)C1 ZINC000344717969 445136465 /nfs/dbraw/zinc/13/64/65/445136465.db2.gz CEWTXVHJEIIILC-GOEBONIOSA-N 2 1 325.522 1.757 20 0 EDADMP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343168946 445111194 /nfs/dbraw/zinc/11/11/94/445111194.db2.gz AVBWDTNHMVXPDQ-RTBURBONSA-N 2 1 342.487 1.330 20 0 EDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000343269889 445171213 /nfs/dbraw/zinc/17/12/13/445171213.db2.gz CSYMDEGZLHFPLT-HOJAQTOUSA-N 2 1 330.520 1.905 20 0 EDADMP COC[C@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC(C)(C)O1 ZINC000343338591 445204695 /nfs/dbraw/zinc/20/46/95/445204695.db2.gz DSQIVTNPSRFHBV-QGZVFWFLSA-N 2 1 327.513 1.528 20 0 EDADMP CC(C)C[C@H](CNC(=O)NCC1=CC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000343341831 445205639 /nfs/dbraw/zinc/20/56/39/445205639.db2.gz KFHAMARJGBMDHP-QGZVFWFLSA-N 2 1 338.496 1.294 20 0 EDADMP CC(C)C[C@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000343341831 445205641 /nfs/dbraw/zinc/20/56/41/445205641.db2.gz KFHAMARJGBMDHP-QGZVFWFLSA-N 2 1 338.496 1.294 20 0 EDADMP CC(C)N1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C)[C@@H]2c2ccnn2C)C1=O ZINC000346910799 445227641 /nfs/dbraw/zinc/22/76/41/445227641.db2.gz CWIOHASPKZSCKR-SZMVWBNQSA-N 2 1 347.507 1.744 20 0 EDADMP CC(C)N1CC[C@H](N(C)C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)C1=O ZINC000346910799 445227643 /nfs/dbraw/zinc/22/76/43/445227643.db2.gz CWIOHASPKZSCKR-SZMVWBNQSA-N 2 1 347.507 1.744 20 0 EDADMP CN(CCC[NH+]1CCCC1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000343624565 445267951 /nfs/dbraw/zinc/26/79/51/445267951.db2.gz QEPQOTLKBJNIHU-UHFFFAOYSA-N 3 1 332.496 1.146 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000343572594 445246275 /nfs/dbraw/zinc/24/62/75/445246275.db2.gz ONMVHXODUNDZRA-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000343572594 445246276 /nfs/dbraw/zinc/24/62/76/445246276.db2.gz ONMVHXODUNDZRA-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000343572594 445246278 /nfs/dbraw/zinc/24/62/78/445246278.db2.gz ONMVHXODUNDZRA-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000343572594 445246279 /nfs/dbraw/zinc/24/62/79/445246279.db2.gz ONMVHXODUNDZRA-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)CCC[N@H+]1C ZINC000343599080 445257565 /nfs/dbraw/zinc/25/75/65/445257565.db2.gz JIHGEVSZEOZWMW-CRAIPNDOSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC[N@@H+]2CCc3ccccc3C2)CCC[NH+]1C ZINC000343599080 445257566 /nfs/dbraw/zinc/25/75/66/445257566.db2.gz JIHGEVSZEOZWMW-CRAIPNDOSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC[N@H+]2CCc3ccccc3C2)CCC[NH+]1C ZINC000343599080 445257569 /nfs/dbraw/zinc/25/75/69/445257569.db2.gz JIHGEVSZEOZWMW-CRAIPNDOSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H](CN1CCOCC1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348333392 445260235 /nfs/dbraw/zinc/26/02/35/445260235.db2.gz YOZIFGVIPYITPX-RLLQIKCJSA-N 2 1 329.488 1.771 20 0 EDADMP C[C@H](CN1CCOCC1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348333392 445260241 /nfs/dbraw/zinc/26/02/41/445260241.db2.gz YOZIFGVIPYITPX-RLLQIKCJSA-N 2 1 329.488 1.771 20 0 EDADMP C[C@H](CN1CCOCC1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348333392 445260245 /nfs/dbraw/zinc/26/02/45/445260245.db2.gz YOZIFGVIPYITPX-RLLQIKCJSA-N 2 1 329.488 1.771 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)CC2)cs1 ZINC000351748900 445307135 /nfs/dbraw/zinc/30/71/35/445307135.db2.gz RDRHIHVKAPGOAY-WFASDCNBSA-N 2 1 336.505 1.859 20 0 EDADMP COCCC[N@H+](C)C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348188344 445310086 /nfs/dbraw/zinc/31/00/86/445310086.db2.gz YCMHXJTVNVVJFR-ZIAGYGMSSA-N 2 1 325.432 1.428 20 0 EDADMP COCCC[N@@H+](C)C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348188344 445310088 /nfs/dbraw/zinc/31/00/88/445310088.db2.gz YCMHXJTVNVVJFR-ZIAGYGMSSA-N 2 1 325.432 1.428 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H](C)C1 ZINC000351793073 445323953 /nfs/dbraw/zinc/32/39/53/445323953.db2.gz MSAUPMUPYNICLY-HUUCEWRRSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000354513660 445272534 /nfs/dbraw/zinc/27/25/34/445272534.db2.gz RUGLVSGRIYWFEQ-FUHWJXTLSA-N 2 1 339.524 1.802 20 0 EDADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000354518649 445275298 /nfs/dbraw/zinc/27/52/98/445275298.db2.gz WHJUVSPJPSAGDE-DLBZAZTESA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000354518649 445275300 /nfs/dbraw/zinc/27/53/00/445275300.db2.gz WHJUVSPJPSAGDE-DLBZAZTESA-N 2 1 340.512 1.205 20 0 EDADMP CC[C@H](C(=O)N1CCO[C@@H]2CC[NH+](C)C[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000348588970 445333662 /nfs/dbraw/zinc/33/36/62/445333662.db2.gz QVFOISFFLUVKCP-GUDVDZBRSA-N 2 1 345.487 1.829 20 0 EDADMP CC[C@H](C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21)[NH+](C)Cc1ccccc1 ZINC000348588970 445333665 /nfs/dbraw/zinc/33/36/65/445333665.db2.gz QVFOISFFLUVKCP-GUDVDZBRSA-N 2 1 345.487 1.829 20 0 EDADMP CC[C@H](C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21)[NH+](C)Cc1ccccc1 ZINC000348588970 445333667 /nfs/dbraw/zinc/33/36/67/445333667.db2.gz QVFOISFFLUVKCP-GUDVDZBRSA-N 2 1 345.487 1.829 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@H]2COC[C@@H]2O)CC1 ZINC000348645547 445343752 /nfs/dbraw/zinc/34/37/52/445343752.db2.gz OFAHGRPOGUDLDX-OALUTQOASA-N 2 1 333.476 1.410 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC000351857494 445344694 /nfs/dbraw/zinc/34/46/94/445344694.db2.gz BRCODCJADXDQHM-GXTWGEPZSA-N 2 1 341.402 1.916 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC000351857494 445344696 /nfs/dbraw/zinc/34/46/96/445344696.db2.gz BRCODCJADXDQHM-GXTWGEPZSA-N 2 1 341.402 1.916 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCCCOC(C)(C)C)CC1 ZINC000354812557 445404689 /nfs/dbraw/zinc/40/46/89/445404689.db2.gz ANASLZQMNOLSHJ-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000354812557 445404691 /nfs/dbraw/zinc/40/46/91/445404691.db2.gz ANASLZQMNOLSHJ-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362553947 445436029 /nfs/dbraw/zinc/43/60/29/445436029.db2.gz QXHCMAWPTLPPLP-KBPBESRZSA-N 2 1 342.447 1.723 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC000355371670 445456459 /nfs/dbraw/zinc/45/64/59/445456459.db2.gz RGCFBUMTNJOLAJ-FGTMMUONSA-N 2 1 337.508 1.819 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCOC2C[NH2+]C2)cc1 ZINC000348988600 445467247 /nfs/dbraw/zinc/46/72/47/445467247.db2.gz BIFJCMLRQOWWDJ-CYBMUJFWSA-N 2 1 328.416 1.736 20 0 EDADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000362706921 445510830 /nfs/dbraw/zinc/51/08/30/445510830.db2.gz RNMOQJXZRJVQFQ-GOSISDBHSA-N 2 1 348.466 1.106 20 0 EDADMP C[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)[N@H+](C)Cc1ccccc1 ZINC000352365343 445523041 /nfs/dbraw/zinc/52/30/41/445523041.db2.gz QMWCERUMWUIXPS-INIZCTEOSA-N 2 1 341.459 2.246 20 0 EDADMP C[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)[N@@H+](C)Cc1ccccc1 ZINC000352365343 445523046 /nfs/dbraw/zinc/52/30/46/445523046.db2.gz QMWCERUMWUIXPS-INIZCTEOSA-N 2 1 341.459 2.246 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC3(O)CCCC3)CC2)C1 ZINC000349041567 445485642 /nfs/dbraw/zinc/48/56/42/445485642.db2.gz UNGKIRIJACUHFN-QGZVFWFLSA-N 2 1 325.497 1.018 20 0 EDADMP C[C@@H](C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000357226301 445491848 /nfs/dbraw/zinc/49/18/48/445491848.db2.gz OKURWBQJLVYKDT-MRXNPFEDSA-N 2 1 330.476 1.123 20 0 EDADMP C[C@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000357315513 445544895 /nfs/dbraw/zinc/54/48/95/445544895.db2.gz RXGZJOVOFXVPQI-YXJHDRRASA-N 2 1 334.464 1.044 20 0 EDADMP CC(C)[N@H+]1CCc2nc(CNCCOCC[NH+](C)C)sc2C1 ZINC000349250827 445547115 /nfs/dbraw/zinc/54/71/15/445547115.db2.gz HLONGYMMDNXPCY-UHFFFAOYSA-N 2 1 326.510 1.577 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([NH+](C)CCO)[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000356071793 445602337 /nfs/dbraw/zinc/60/23/37/445602337.db2.gz UOYNPIDXHDYHKA-GPMSIDNRSA-N 2 1 345.487 1.347 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000356071793 445602341 /nfs/dbraw/zinc/60/23/41/445602341.db2.gz UOYNPIDXHDYHKA-GPMSIDNRSA-N 2 1 345.487 1.347 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000356071793 445602345 /nfs/dbraw/zinc/60/23/45/445602345.db2.gz UOYNPIDXHDYHKA-GPMSIDNRSA-N 2 1 345.487 1.347 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000353449647 445606838 /nfs/dbraw/zinc/60/68/38/445606838.db2.gz OCESQCDNXAZUQH-ATLSCFEFSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000362993059 445641414 /nfs/dbraw/zinc/64/14/14/445641414.db2.gz CNKICRXEGIMBGB-SJLPKXTDSA-N 2 1 347.507 1.933 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000349613035 445622406 /nfs/dbraw/zinc/62/24/06/445622406.db2.gz DKBOXXWXGAPIHI-HNNXBMFYSA-N 2 1 334.464 1.268 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000360210401 445629982 /nfs/dbraw/zinc/62/99/82/445629982.db2.gz XVTMHMXZWLFECT-DLBZAZTESA-N 2 1 337.439 1.654 20 0 EDADMP CCN1CCC([N@@H+](C)CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000358520562 445630637 /nfs/dbraw/zinc/63/06/37/445630637.db2.gz WEVPFXVZRLMZRP-UHFFFAOYSA-N 2 1 346.475 1.819 20 0 EDADMP CC[NH+]1CCC([N@H+](C)CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000358520562 445630639 /nfs/dbraw/zinc/63/06/39/445630639.db2.gz WEVPFXVZRLMZRP-UHFFFAOYSA-N 2 1 346.475 1.819 20 0 EDADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000358520562 445630642 /nfs/dbraw/zinc/63/06/42/445630642.db2.gz WEVPFXVZRLMZRP-UHFFFAOYSA-N 2 1 346.475 1.819 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)C[NH+]1CCOCC1 ZINC000353522182 445640783 /nfs/dbraw/zinc/64/07/83/445640783.db2.gz FUUSENQJEZNBHP-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1O ZINC000353429208 445597325 /nfs/dbraw/zinc/59/73/25/445597325.db2.gz SYBILKXUPVACAF-DZGCQCFKSA-N 2 1 335.448 1.639 20 0 EDADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1O ZINC000353429208 445597327 /nfs/dbraw/zinc/59/73/27/445597327.db2.gz SYBILKXUPVACAF-DZGCQCFKSA-N 2 1 335.448 1.639 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCO1 ZINC000358544084 445643887 /nfs/dbraw/zinc/64/38/87/445643887.db2.gz VJTAWJWJKAPARL-NVXWUHKLSA-N 2 1 335.423 1.224 20 0 EDADMP CC[C@@H](CNC(=O)C1CC[NH+](Cc2nccn2C)CC1)[NH+]1CCCC1 ZINC000363026788 445654569 /nfs/dbraw/zinc/65/45/69/445654569.db2.gz NIXPBKWUAIWSNM-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP COc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1O ZINC000353677524 445703961 /nfs/dbraw/zinc/70/39/61/445703961.db2.gz YVTWJRGBKYKQHR-UHFFFAOYSA-N 2 1 335.448 1.483 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000349938021 445726990 /nfs/dbraw/zinc/72/69/90/445726990.db2.gz SRXBAUNJPXXIQP-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000349938023 445727251 /nfs/dbraw/zinc/72/72/51/445727251.db2.gz SRXBAUNJPXXIQP-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)C2([NH3+])CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000353752364 445738937 /nfs/dbraw/zinc/73/89/37/445738937.db2.gz GEQFBHPDVWLGLP-SJLPKXTDSA-N 2 1 345.487 1.911 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000363297745 445755971 /nfs/dbraw/zinc/75/59/71/445755971.db2.gz XWYIGQPOAJRTLF-KRWDZBQOSA-N 2 1 336.524 1.537 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000363323687 445766075 /nfs/dbraw/zinc/76/60/75/445766075.db2.gz CAQUBJDAMIESMV-MSOLQXFVSA-N 2 1 336.524 1.395 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000363323687 445766077 /nfs/dbraw/zinc/76/60/77/445766077.db2.gz CAQUBJDAMIESMV-MSOLQXFVSA-N 2 1 336.524 1.395 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000363323687 445766080 /nfs/dbraw/zinc/76/60/80/445766080.db2.gz CAQUBJDAMIESMV-MSOLQXFVSA-N 2 1 336.524 1.395 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H]2CCC(C)(C)C2)C1 ZINC000361471454 445775973 /nfs/dbraw/zinc/77/59/73/445775973.db2.gz RCCCLWPWTGYMTJ-IRXDYDNUSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@H]2CCC(C)(C)C2)C1 ZINC000361471454 445775977 /nfs/dbraw/zinc/77/59/77/445775977.db2.gz RCCCLWPWTGYMTJ-IRXDYDNUSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@H]2CCC(C)(C)C2)C1 ZINC000361471454 445775981 /nfs/dbraw/zinc/77/59/81/445775981.db2.gz RCCCLWPWTGYMTJ-IRXDYDNUSA-N 2 1 339.524 1.970 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000350204861 445792719 /nfs/dbraw/zinc/79/27/19/445792719.db2.gz GDXHKTWQTGLSGT-GVDBMIGSSA-N 2 1 341.496 1.103 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@H](C)CC2(C)C)C1 ZINC000350286297 445806725 /nfs/dbraw/zinc/80/67/25/445806725.db2.gz LPDLANKTHPSPSP-CVEARBPZSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2C[C@H](C)CC2(C)C)C1 ZINC000350286297 445806728 /nfs/dbraw/zinc/80/67/28/445806728.db2.gz LPDLANKTHPSPSP-CVEARBPZSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2C[C@H](C)CC2(C)C)C1 ZINC000350286297 445806734 /nfs/dbraw/zinc/80/67/34/445806734.db2.gz LPDLANKTHPSPSP-CVEARBPZSA-N 2 1 325.497 1.580 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2(O)CCOCC2)[C@H](C)C1 ZINC000353904646 445807133 /nfs/dbraw/zinc/80/71/33/445807133.db2.gz AXERHNXGDOQOFX-SJORKVTESA-N 2 1 328.497 1.645 20 0 EDADMP CC[C@]1(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000363511312 445839235 /nfs/dbraw/zinc/83/92/35/445839235.db2.gz JVENRCDDESCGSO-PXNSSMCTSA-N 2 1 344.503 1.703 20 0 EDADMP [NH3+]CCCN(Cc1ccccc1)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000358911340 445844792 /nfs/dbraw/zinc/84/47/92/445844792.db2.gz CYYGLFZAHLYCGK-HNNXBMFYSA-N 2 1 327.432 1.478 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCC[N@H+]1C ZINC000350619393 445856688 /nfs/dbraw/zinc/85/66/88/445856688.db2.gz QNJUDKXLNHRJRZ-ILXRZTDVSA-N 2 1 340.512 1.068 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NC[C@@H]3CCCO3)C2)c1 ZINC000361751823 445916734 /nfs/dbraw/zinc/91/67/34/445916734.db2.gz PTFKLQXERCVFOC-IKGGRYGDSA-N 2 1 346.475 1.808 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCC1)C1CC[NH+](C2CC2)CC1 ZINC000365942908 445919603 /nfs/dbraw/zinc/91/96/03/445919603.db2.gz YANUXSZHSXWIPJ-UHFFFAOYSA-N 2 1 335.492 1.622 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC000361793338 445951421 /nfs/dbraw/zinc/95/14/21/445951421.db2.gz WZSNHIQSUNKMPQ-VYDXJSESSA-N 2 1 342.553 1.938 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CC2)c1=O ZINC000365091878 446018328 /nfs/dbraw/zinc/01/83/28/446018328.db2.gz GMQNTJJXMCNYKQ-YQQAZPJKSA-N 2 1 347.507 1.550 20 0 EDADMP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@@H](C(=O)OC)C(C)C)CC1 ZINC000351333927 446033986 /nfs/dbraw/zinc/03/39/86/446033986.db2.gz CVRZXUZKTJPTAB-QGZVFWFLSA-N 2 1 341.496 1.354 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000583264316 326038444 /nfs/dbraw/zinc/03/84/44/326038444.db2.gz IHMCHBGUYKTWAZ-JKIFEVAISA-N 2 1 333.480 1.135 20 0 EDADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000359223438 446053777 /nfs/dbraw/zinc/05/37/77/446053777.db2.gz RZLCKGSBZRWYIX-WMLDXEAASA-N 2 1 346.475 1.883 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COCc2ccccc2)CCCO1 ZINC000583495501 326083384 /nfs/dbraw/zinc/08/33/84/326083384.db2.gz IKYKFVVJCRQRCH-HKUYNNGSSA-N 2 1 336.476 1.655 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583801682 326142276 /nfs/dbraw/zinc/14/22/76/326142276.db2.gz DGIJVWKRSNTMJZ-QBYUYEEZSA-N 2 1 334.464 1.311 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583801682 326142278 /nfs/dbraw/zinc/14/22/78/326142278.db2.gz DGIJVWKRSNTMJZ-QBYUYEEZSA-N 2 1 334.464 1.311 20 0 EDADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CC(F)(F)C[NH3+])CC1 ZINC000584238923 326226654 /nfs/dbraw/zinc/22/66/54/326226654.db2.gz HEJXKZUEJFLSAC-GFCCVEGCSA-N 2 1 326.391 1.707 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NC[C@H]3CCN(c4ccccc4)C3)C[C@H]12 ZINC000351480156 446081160 /nfs/dbraw/zinc/08/11/60/446081160.db2.gz UAXYFIIZPJIYGR-ZAWLATJESA-N 2 1 342.487 1.298 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NC[C@H]3CCN(c4ccccc4)C3)C[C@H]12 ZINC000351480156 446081165 /nfs/dbraw/zinc/08/11/65/446081165.db2.gz UAXYFIIZPJIYGR-ZAWLATJESA-N 2 1 342.487 1.298 20 0 EDADMP CCOc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351490720 446093319 /nfs/dbraw/zinc/09/33/19/446093319.db2.gz IWTHESASBLOMCS-RYQLBKOJSA-N 2 1 331.460 1.713 20 0 EDADMP CCOc1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351490720 446093321 /nfs/dbraw/zinc/09/33/21/446093321.db2.gz IWTHESASBLOMCS-RYQLBKOJSA-N 2 1 331.460 1.713 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351493106 446096017 /nfs/dbraw/zinc/09/60/17/446096017.db2.gz LURATASJTKJNNU-PAPYEOQZSA-N 2 1 331.416 1.454 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351493106 446096021 /nfs/dbraw/zinc/09/60/21/446096021.db2.gz LURATASJTKJNNU-PAPYEOQZSA-N 2 1 331.416 1.454 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351496364 446101163 /nfs/dbraw/zinc/10/11/63/446101163.db2.gz RJYOPRTWBBZJGJ-CWLKWCNXSA-N 2 1 331.460 1.548 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351496364 446101170 /nfs/dbraw/zinc/10/11/70/446101170.db2.gz RJYOPRTWBBZJGJ-CWLKWCNXSA-N 2 1 331.460 1.548 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000351500110 446105747 /nfs/dbraw/zinc/10/57/47/446105747.db2.gz WORLHUANJSBRRP-CWRNSKLLSA-N 2 1 330.432 1.621 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000351500110 446105753 /nfs/dbraw/zinc/10/57/53/446105753.db2.gz WORLHUANJSBRRP-CWRNSKLLSA-N 2 1 330.432 1.621 20 0 EDADMP COC(=O)C(C)(C)CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000354423530 446193717 /nfs/dbraw/zinc/19/37/17/446193717.db2.gz SVCNNFYHEHRAQO-IBGZPJMESA-N 2 1 334.460 1.802 20 0 EDADMP COC(=O)C(C)(C)CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000354423530 446193719 /nfs/dbraw/zinc/19/37/19/446193719.db2.gz SVCNNFYHEHRAQO-IBGZPJMESA-N 2 1 334.460 1.802 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000351623072 446216126 /nfs/dbraw/zinc/21/61/26/446216126.db2.gz GJOURYBVBKHDPS-ILOCAZANSA-N 2 1 337.508 1.863 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351623072 446216130 /nfs/dbraw/zinc/21/61/30/446216130.db2.gz GJOURYBVBKHDPS-ILOCAZANSA-N 2 1 337.508 1.863 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351623072 446216134 /nfs/dbraw/zinc/21/61/34/446216134.db2.gz GJOURYBVBKHDPS-ILOCAZANSA-N 2 1 337.508 1.863 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351623072 446216141 /nfs/dbraw/zinc/21/61/41/446216141.db2.gz GJOURYBVBKHDPS-ILOCAZANSA-N 2 1 337.508 1.863 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351623072 446216144 /nfs/dbraw/zinc/21/61/44/446216144.db2.gz GJOURYBVBKHDPS-ILOCAZANSA-N 2 1 337.508 1.863 20 0 EDADMP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000365676766 446296637 /nfs/dbraw/zinc/29/66/37/446296637.db2.gz YPDVYFHZQGNEPM-INIZCTEOSA-N 2 1 342.443 1.925 20 0 EDADMP C[C@@H](O)COC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000366632154 446286768 /nfs/dbraw/zinc/28/67/68/446286768.db2.gz HHNAWCMYGUMMPP-SJORKVTESA-N 2 1 326.481 1.744 20 0 EDADMP C[C@@H](O)COC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000366632154 446286774 /nfs/dbraw/zinc/28/67/74/446286774.db2.gz HHNAWCMYGUMMPP-SJORKVTESA-N 2 1 326.481 1.744 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000366636068 446288284 /nfs/dbraw/zinc/28/82/84/446288284.db2.gz MACRSGHCNLFSTK-CRAIPNDOSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417339423 446347070 /nfs/dbraw/zinc/34/70/70/446347070.db2.gz ZXDCIWGORIQAIR-DLBZAZTESA-N 2 1 347.507 1.981 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000359637699 446331009 /nfs/dbraw/zinc/33/10/09/446331009.db2.gz RQSDTUQERSCKEO-ZBFHGGJFSA-N 2 1 328.526 1.597 20 0 EDADMP [NH3+]C1(CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000417509289 446357457 /nfs/dbraw/zinc/35/74/57/446357457.db2.gz VFQFGDSWLXWJFJ-KRWDZBQOSA-N 2 1 330.476 1.732 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCS[C@@H](c3ccccc3)C2)CC1 ZINC000374876578 446430429 /nfs/dbraw/zinc/43/04/29/446430429.db2.gz NDPLHWNYIPJXPN-QGZVFWFLSA-N 2 1 333.501 1.941 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCS[C@@H](c3ccccc3)C2)CC1 ZINC000374876578 446430434 /nfs/dbraw/zinc/43/04/34/446430434.db2.gz NDPLHWNYIPJXPN-QGZVFWFLSA-N 2 1 333.501 1.941 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CC[C@@](C)(C[NH3+])C2)n1 ZINC000420249772 446432191 /nfs/dbraw/zinc/43/21/91/446432191.db2.gz YXEOLDNUJUXGJO-ZVZYQTTQSA-N 2 1 333.480 2.267 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)CC1 ZINC000366971058 446434945 /nfs/dbraw/zinc/43/49/45/446434945.db2.gz WAXVNMVPBGRIHB-KRWDZBQOSA-N 2 1 341.459 1.447 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](n3ncc4ccccc43)C2)CC1 ZINC000366971058 446434952 /nfs/dbraw/zinc/43/49/52/446434952.db2.gz WAXVNMVPBGRIHB-KRWDZBQOSA-N 2 1 341.459 1.447 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431897827 446439482 /nfs/dbraw/zinc/43/94/82/446439482.db2.gz GTMXPMUPEREMOU-LJQANCHMSA-N 2 1 346.519 1.823 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)CC[NH2+]CC1 ZINC000423161568 446443658 /nfs/dbraw/zinc/44/36/58/446443658.db2.gz JDIXKBAZGPXYOY-OAHLLOKOSA-N 3 1 325.497 1.772 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)CC[NH2+]CC1 ZINC000423161568 446443661 /nfs/dbraw/zinc/44/36/61/446443661.db2.gz JDIXKBAZGPXYOY-OAHLLOKOSA-N 3 1 325.497 1.772 20 0 EDADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(S(N)(=O)=O)cc1 ZINC000423194892 446450222 /nfs/dbraw/zinc/45/02/22/446450222.db2.gz ZKEWPZZKZRAQHZ-CQSZACIVSA-N 2 1 348.472 1.560 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)N[C@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000417985274 446408290 /nfs/dbraw/zinc/40/82/90/446408290.db2.gz HAWHVVNFWDFQTK-JLZZUVOBSA-N 2 1 332.448 1.619 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000417994665 446410259 /nfs/dbraw/zinc/41/02/59/446410259.db2.gz OZNFNTLSZFMYRQ-QZTJIDSGSA-N 2 1 348.491 1.570 20 0 EDADMP CC(C)SCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000374860844 446421811 /nfs/dbraw/zinc/42/18/11/446421811.db2.gz GSALTYVZDAUBSR-QGZVFWFLSA-N 2 1 329.554 1.855 20 0 EDADMP COC(=O)c1ccc(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000420292311 446456599 /nfs/dbraw/zinc/45/65/99/446456599.db2.gz PEXKUAUSYRCJQF-UHFFFAOYSA-N 2 1 349.431 1.242 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420296212 446459228 /nfs/dbraw/zinc/45/92/28/446459228.db2.gz WRIIGUZNHORAOU-MAUKXSAKSA-N 2 1 340.471 1.953 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420296212 446459237 /nfs/dbraw/zinc/45/92/37/446459237.db2.gz WRIIGUZNHORAOU-MAUKXSAKSA-N 2 1 340.471 1.953 20 0 EDADMP COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)CC[C@H]3CC[NH2+]C3)C2=O)c1 ZINC000420299871 446461204 /nfs/dbraw/zinc/46/12/04/446461204.db2.gz JPUAOQCVLYPXLJ-RDTXWAMCSA-N 2 1 347.459 1.741 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)s1 ZINC000420301353 446464445 /nfs/dbraw/zinc/46/44/45/446464445.db2.gz VPADYQHRCXHZJZ-GFCCVEGCSA-N 2 1 339.461 1.130 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N(CC[NH3+])CCO)CCC1 ZINC000418241613 446469691 /nfs/dbraw/zinc/46/96/91/446469691.db2.gz KKLVFPYPFKTBMZ-UHFFFAOYSA-N 2 1 334.464 1.004 20 0 EDADMP CCN(C)C(=O)CC[N@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000420318435 446483092 /nfs/dbraw/zinc/48/30/92/446483092.db2.gz WDCPRLDINJYSJM-INIZCTEOSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C)C(=O)CC[N@@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000420318435 446483096 /nfs/dbraw/zinc/48/30/96/446483096.db2.gz WDCPRLDINJYSJM-INIZCTEOSA-N 2 1 347.507 1.716 20 0 EDADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1cccs1 ZINC000420327152 446495928 /nfs/dbraw/zinc/49/59/28/446495928.db2.gz KRXAMCAUHABDSH-ZIAGYGMSSA-N 2 1 337.489 1.613 20 0 EDADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1cccs1 ZINC000420327152 446495934 /nfs/dbraw/zinc/49/59/34/446495934.db2.gz KRXAMCAUHABDSH-ZIAGYGMSSA-N 2 1 337.489 1.613 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)CC12CCOCC2 ZINC000420338409 446507385 /nfs/dbraw/zinc/50/73/85/446507385.db2.gz XYCZGKCLFWOKJM-WBVHZDCISA-N 2 1 329.444 1.479 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCN(c3ccccc3)C2=O)CC12CCOCC2 ZINC000420338409 446507393 /nfs/dbraw/zinc/50/73/93/446507393.db2.gz XYCZGKCLFWOKJM-WBVHZDCISA-N 2 1 329.444 1.479 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCOc1ccccc1 ZINC000420337933 446507891 /nfs/dbraw/zinc/50/78/91/446507891.db2.gz KJFPJXMIVVBDSJ-IAGOWNOFSA-N 2 1 331.460 1.503 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418347676 446508330 /nfs/dbraw/zinc/50/83/30/446508330.db2.gz QTFMDPIEIXIKJI-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420341032 446512311 /nfs/dbraw/zinc/51/23/11/446512311.db2.gz PSAWCHUBBMWOEE-SOUVJXGZSA-N 2 1 347.459 1.921 20 0 EDADMP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420341032 446512319 /nfs/dbraw/zinc/51/23/19/446512319.db2.gz PSAWCHUBBMWOEE-SOUVJXGZSA-N 2 1 347.459 1.921 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418325315 446499245 /nfs/dbraw/zinc/49/92/45/446499245.db2.gz IUONEMZSYDCEGE-MSOLQXFVSA-N 2 1 345.491 1.687 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)C1 ZINC000423358995 446499544 /nfs/dbraw/zinc/49/95/44/446499544.db2.gz CORVJNCABMVKCX-HNNXBMFYSA-N 2 1 344.459 1.451 20 0 EDADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346422 446519029 /nfs/dbraw/zinc/51/90/29/446519029.db2.gz CSYROPCDLXYYBE-IRXDYDNUSA-N 2 1 330.476 1.610 20 0 EDADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346422 446519035 /nfs/dbraw/zinc/51/90/35/446519035.db2.gz CSYROPCDLXYYBE-IRXDYDNUSA-N 2 1 330.476 1.610 20 0 EDADMP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347239 446521538 /nfs/dbraw/zinc/52/15/38/446521538.db2.gz FYHTYSHJEXQLHU-GOSISDBHSA-N 2 1 344.503 1.729 20 0 EDADMP CCc1cccc(CC)c1NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347239 446521548 /nfs/dbraw/zinc/52/15/48/446521548.db2.gz FYHTYSHJEXQLHU-GOSISDBHSA-N 2 1 344.503 1.729 20 0 EDADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349042 446524673 /nfs/dbraw/zinc/52/46/73/446524673.db2.gz NPOAXFMNAMXBEA-HNNXBMFYSA-N 2 1 348.516 1.717 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423423615 446529473 /nfs/dbraw/zinc/52/94/73/446529473.db2.gz ZWXQZRQJRMQFSI-HZPDHXFCSA-N 2 1 345.491 1.871 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418403254 446530776 /nfs/dbraw/zinc/53/07/76/446530776.db2.gz BSXDYKORPGGMJI-CABCVRRESA-N 2 1 326.485 1.256 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418403254 446530780 /nfs/dbraw/zinc/53/07/80/446530780.db2.gz BSXDYKORPGGMJI-CABCVRRESA-N 2 1 326.485 1.256 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000420356577 446536295 /nfs/dbraw/zinc/53/62/95/446536295.db2.gz GNLCHERLASCWCV-KRWDZBQOSA-N 2 1 331.460 1.682 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000420356577 446536301 /nfs/dbraw/zinc/53/63/01/446536301.db2.gz GNLCHERLASCWCV-KRWDZBQOSA-N 2 1 331.460 1.682 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420391480 446567456 /nfs/dbraw/zinc/56/74/56/446567456.db2.gz IKFFRCKVKHXYBO-MSOLQXFVSA-N 2 1 345.487 1.818 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420391480 446567463 /nfs/dbraw/zinc/56/74/63/446567463.db2.gz IKFFRCKVKHXYBO-MSOLQXFVSA-N 2 1 345.487 1.818 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000418432697 446541935 /nfs/dbraw/zinc/54/19/35/446541935.db2.gz ZZLMVPRSMIEKFG-CQSZACIVSA-N 2 1 326.485 1.399 20 0 EDADMP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420366902 446546236 /nfs/dbraw/zinc/54/62/36/446546236.db2.gz VDHZSZZEWMVBHY-HNNXBMFYSA-N 2 1 339.480 1.110 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCNCC2(F)F)[C@@H](C)C1 ZINC000423473085 446549858 /nfs/dbraw/zinc/54/98/58/446549858.db2.gz IJENFHJXMQNUPT-XHSDSOJGSA-N 2 1 333.467 1.958 20 0 EDADMP O=C(CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)N1CC[NH2+]CC1 ZINC000420371556 446550756 /nfs/dbraw/zinc/55/07/56/446550756.db2.gz KKWORSWEYYCVLL-ZDUSSCGKSA-N 2 1 333.398 1.863 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000433336212 446555945 /nfs/dbraw/zinc/55/59/45/446555945.db2.gz UKDUCSAPJWMWRA-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP CCC[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000433336212 446555948 /nfs/dbraw/zinc/55/59/48/446555948.db2.gz UKDUCSAPJWMWRA-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP CCC[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000433336212 446555950 /nfs/dbraw/zinc/55/59/50/446555950.db2.gz UKDUCSAPJWMWRA-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC000418603735 446611831 /nfs/dbraw/zinc/61/18/31/446611831.db2.gz OBCUDUDIVRILPA-NJAFHUGGSA-N 2 1 330.476 1.695 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC000418603735 446611838 /nfs/dbraw/zinc/61/18/38/446611838.db2.gz OBCUDUDIVRILPA-NJAFHUGGSA-N 2 1 330.476 1.695 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[NH2+]CCOC)CC[N@H+]1Cc1ccccc1 ZINC000418504352 446570562 /nfs/dbraw/zinc/57/05/62/446570562.db2.gz BMHNLAHBDOOBIS-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP CN(c1ccccc1C[N@H+]1CC[C@@H](CC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000367702658 446577850 /nfs/dbraw/zinc/57/78/50/446577850.db2.gz HVWNNGUVNVWLDI-INIZCTEOSA-N 2 1 344.503 1.914 20 0 EDADMP C[C@H](NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1)c1ccc2ccccc2c1 ZINC000420405763 446578650 /nfs/dbraw/zinc/57/86/50/446578650.db2.gz PMBVNHSMLLRMDB-HNNXBMFYSA-N 2 1 341.455 1.803 20 0 EDADMP CCC[C@H]1CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418537491 446585199 /nfs/dbraw/zinc/58/51/99/446585199.db2.gz JUUVNVQYBTUYQQ-FUHWJXTLSA-N 2 1 340.512 1.518 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418563430 446596831 /nfs/dbraw/zinc/59/68/31/446596831.db2.gz HYRZHDQQUZUFMD-HUUCEWRRSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@H]1[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCC[N@H+]1C ZINC000433874404 446604862 /nfs/dbraw/zinc/60/48/62/446604862.db2.gz JOPQGPSZLMHGBJ-XJKSGUPXSA-N 2 1 325.478 1.509 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)cn2)CC1 ZINC000368137278 446662705 /nfs/dbraw/zinc/66/27/05/446662705.db2.gz YZPDVCZHZCQDOR-MSOLQXFVSA-N 2 1 344.507 1.145 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)cn2)CC1 ZINC000368137278 446662709 /nfs/dbraw/zinc/66/27/09/446662709.db2.gz YZPDVCZHZCQDOR-MSOLQXFVSA-N 2 1 344.507 1.145 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423738524 446670150 /nfs/dbraw/zinc/67/01/50/446670150.db2.gz UTDPVNFAVXJYBA-SFHVURJKSA-N 2 1 347.459 1.108 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000368155583 446674186 /nfs/dbraw/zinc/67/41/86/446674186.db2.gz PBDNBYLZNGNQNJ-WBVHZDCISA-N 2 1 338.496 1.269 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000423764687 446693173 /nfs/dbraw/zinc/69/31/73/446693173.db2.gz XTOKNYIRRQDLDK-HXUWFJFHSA-N 2 1 344.503 1.014 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418779091 446697205 /nfs/dbraw/zinc/69/72/05/446697205.db2.gz WWPRYVUEEWDJOJ-OAHLLOKOSA-N 2 1 326.485 1.271 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418779091 446697213 /nfs/dbraw/zinc/69/72/13/446697213.db2.gz WWPRYVUEEWDJOJ-OAHLLOKOSA-N 2 1 326.485 1.271 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCNCC2(F)F)[C@@H](C)C1 ZINC000418778843 446697550 /nfs/dbraw/zinc/69/75/50/446697550.db2.gz YXTPHGQXWHCYMD-IHRRRGAJSA-N 2 1 332.439 1.603 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418779090 446697674 /nfs/dbraw/zinc/69/76/74/446697674.db2.gz WWPRYVUEEWDJOJ-HNNXBMFYSA-N 2 1 326.485 1.271 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418779090 446697677 /nfs/dbraw/zinc/69/76/77/446697677.db2.gz WWPRYVUEEWDJOJ-HNNXBMFYSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000423825780 446713708 /nfs/dbraw/zinc/71/37/08/446713708.db2.gz LZEHIXYXLAUZBP-MJGOQNOKSA-N 2 1 347.459 1.325 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC[N@@H+]1Cc1ccccc1 ZINC000423832186 446721173 /nfs/dbraw/zinc/72/11/73/446721173.db2.gz XELHFEGTYWQYJS-IAGOWNOFSA-N 2 1 347.459 1.390 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC[N@H+]1Cc1ccccc1 ZINC000423832186 446721179 /nfs/dbraw/zinc/72/11/79/446721179.db2.gz XELHFEGTYWQYJS-IAGOWNOFSA-N 2 1 347.459 1.390 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1COCCN1CC1CCC1 ZINC000376811522 446733912 /nfs/dbraw/zinc/73/39/12/446733912.db2.gz JUOQKRRFETWWTH-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)no1 ZINC000371195598 446684314 /nfs/dbraw/zinc/68/43/14/446684314.db2.gz NQXHSKIPSLJWOT-MRXNPFEDSA-N 2 1 334.464 2.510 20 0 EDADMP Cc1cc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)no1 ZINC000371195598 446684318 /nfs/dbraw/zinc/68/43/18/446684318.db2.gz NQXHSKIPSLJWOT-MRXNPFEDSA-N 2 1 334.464 2.510 20 0 EDADMP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371293304 446750086 /nfs/dbraw/zinc/75/00/86/446750086.db2.gz GMTVVPSWQQTVJY-JRBPQWBISA-N 2 1 348.487 1.918 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2C[NH2+]CCO2)C[N@H+]1Cc1ccccc1 ZINC000423900432 446753154 /nfs/dbraw/zinc/75/31/54/446753154.db2.gz KAQDKPAPKIPPQX-NJAFHUGGSA-N 2 1 331.460 1.392 20 0 EDADMP COCC[C@]1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]C1 ZINC000423913035 446762731 /nfs/dbraw/zinc/76/27/31/446762731.db2.gz WOHOFVDCLMPGIH-KVSKMBFKSA-N 2 1 335.492 1.478 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437844324 446765801 /nfs/dbraw/zinc/76/58/01/446765801.db2.gz IBZYFSYDAPBGIK-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP COC(=O)[C@]1(C)CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000412059849 446821127 /nfs/dbraw/zinc/82/11/27/446821127.db2.gz DCICXYAYWQEWJE-GOSISDBHSA-N 2 1 325.497 1.678 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000420791390 446823297 /nfs/dbraw/zinc/82/32/97/446823297.db2.gz ONTMOHDFGUPXHA-OAHLLOKOSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)cc2)C[C@H](C)O1 ZINC000368385552 446829247 /nfs/dbraw/zinc/82/92/47/446829247.db2.gz OXNYEHIJSDEBPN-DACLVMHWSA-N 2 1 349.450 1.726 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)cc2)C[C@H](C)O1 ZINC000368385552 446829253 /nfs/dbraw/zinc/82/92/53/446829253.db2.gz OXNYEHIJSDEBPN-DACLVMHWSA-N 2 1 349.450 1.726 20 0 EDADMP CCCCN1CCOC[C@@H]1C(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000376936201 446808191 /nfs/dbraw/zinc/80/81/91/446808191.db2.gz XWDIETMDXRNSJH-QGZVFWFLSA-N 2 1 334.464 1.645 20 0 EDADMP C[N@H+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C2(CCCCC2)C1 ZINC000424159610 446861999 /nfs/dbraw/zinc/86/19/99/446861999.db2.gz VVSINOIKMMRFBN-OAHLLOKOSA-N 2 1 346.479 1.293 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c2n1CCCC2 ZINC000371449575 446863461 /nfs/dbraw/zinc/86/34/61/446863461.db2.gz WLXIAVQYCWKCDD-BLLLJJGKSA-N 2 1 331.464 1.810 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c2n1CCCC2 ZINC000371449575 446863471 /nfs/dbraw/zinc/86/34/71/446863471.db2.gz WLXIAVQYCWKCDD-BLLLJJGKSA-N 2 1 331.464 1.810 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000419023474 446871271 /nfs/dbraw/zinc/87/12/71/446871271.db2.gz JPDIYXWSKDDTGQ-OWCLPIDISA-N 2 1 340.512 1.055 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420891392 446871911 /nfs/dbraw/zinc/87/19/11/446871911.db2.gz MQNUVRQPZMSFAW-RDHHWEPZSA-N 2 1 338.496 1.364 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000419035258 446877586 /nfs/dbraw/zinc/87/75/86/446877586.db2.gz ZIVWQCRTWZBBRM-MRXNPFEDSA-N 2 1 338.496 1.016 20 0 EDADMP CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420925070 446894820 /nfs/dbraw/zinc/89/48/20/446894820.db2.gz VIRDJOXQEONZHT-RTBURBONSA-N 2 1 334.460 1.802 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000419084094 446913474 /nfs/dbraw/zinc/91/34/74/446913474.db2.gz XZKWSYKMHSMWLZ-BZUAXINKSA-N 2 1 338.496 1.095 20 0 EDADMP Cc1cc(N2CCC([N@@H+](C)CCN3CCOC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000375597598 446915318 /nfs/dbraw/zinc/91/53/18/446915318.db2.gz NADZYCBJCSQVKN-MRXNPFEDSA-N 2 1 347.507 1.715 20 0 EDADMP Cc1cc(N2CCC([N@H+](C)CCN3CCOC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000375597598 446915322 /nfs/dbraw/zinc/91/53/22/446915322.db2.gz NADZYCBJCSQVKN-MRXNPFEDSA-N 2 1 347.507 1.715 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cccc(CN2CCOCC2)c1 ZINC000420960391 446929994 /nfs/dbraw/zinc/92/99/94/446929994.db2.gz GTXVYZAKYFQHPJ-ZWKOTPCHSA-N 2 1 347.503 1.406 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)[C@@]1([NH+](C)C)CCOc2ccccc21 ZINC000371597985 446936875 /nfs/dbraw/zinc/93/68/75/446936875.db2.gz SVPMJVXCORZCHI-LJQANCHMSA-N 2 1 349.475 1.311 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@@]1([NH+](C)C)CCOc2ccccc21 ZINC000371597985 446936879 /nfs/dbraw/zinc/93/68/79/446936879.db2.gz SVPMJVXCORZCHI-LJQANCHMSA-N 2 1 349.475 1.311 20 0 EDADMP CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420967654 446937047 /nfs/dbraw/zinc/93/70/47/446937047.db2.gz USWMOCBMOGBYSF-LJQANCHMSA-N 2 1 331.460 1.477 20 0 EDADMP CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420967654 446937048 /nfs/dbraw/zinc/93/70/48/446937048.db2.gz USWMOCBMOGBYSF-LJQANCHMSA-N 2 1 331.460 1.477 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000371579918 446934690 /nfs/dbraw/zinc/93/46/90/446934690.db2.gz MCTZBWVMQAADPY-NVXWUHKLSA-N 2 1 349.523 1.105 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000371579918 446934698 /nfs/dbraw/zinc/93/46/98/446934698.db2.gz MCTZBWVMQAADPY-NVXWUHKLSA-N 2 1 349.523 1.105 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000371579918 446934707 /nfs/dbraw/zinc/93/47/07/446934707.db2.gz MCTZBWVMQAADPY-NVXWUHKLSA-N 2 1 349.523 1.105 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000371579918 446934719 /nfs/dbraw/zinc/93/47/19/446934719.db2.gz MCTZBWVMQAADPY-NVXWUHKLSA-N 2 1 349.523 1.105 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000371579918 446934727 /nfs/dbraw/zinc/93/47/27/446934727.db2.gz MCTZBWVMQAADPY-NVXWUHKLSA-N 2 1 349.523 1.105 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1Cc1ccc(CN2CCOCC2)cc1 ZINC000420979174 446952769 /nfs/dbraw/zinc/95/27/69/446952769.db2.gz VFVNVQCUNRQSJS-KRWDZBQOSA-N 2 1 333.476 1.017 20 0 EDADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442758392 446953967 /nfs/dbraw/zinc/95/39/67/446953967.db2.gz AQZYKPDKUOLMNL-TUVASFSCSA-N 2 1 333.432 1.000 20 0 EDADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442758392 446953972 /nfs/dbraw/zinc/95/39/72/446953972.db2.gz AQZYKPDKUOLMNL-TUVASFSCSA-N 2 1 333.432 1.000 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419147672 446963434 /nfs/dbraw/zinc/96/34/34/446963434.db2.gz CEWYGQPFSDKSMG-BZUAXINKSA-N 2 1 338.496 1.001 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCCOc1cccc(Cl)c1 ZINC000442785742 446967876 /nfs/dbraw/zinc/96/78/76/446967876.db2.gz WBVOSAYMRCNFOA-STQMWFEESA-N 2 1 325.840 1.504 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCCOc1cccc(Cl)c1 ZINC000442785742 446967882 /nfs/dbraw/zinc/96/78/82/446967882.db2.gz WBVOSAYMRCNFOA-STQMWFEESA-N 2 1 325.840 1.504 20 0 EDADMP COC(=O)CN1CCC([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000368638624 446997469 /nfs/dbraw/zinc/99/74/69/446997469.db2.gz ZUSAKAPLZKGPHU-PXNSSMCTSA-N 2 1 345.487 1.906 20 0 EDADMP O=C(NCC1CC[NH+](CCc2ccccc2)CC1)[C@H]1COCC[NH2+]1 ZINC000372099748 447000105 /nfs/dbraw/zinc/00/01/05/447000105.db2.gz XZXCKWVCNRTYRT-GOSISDBHSA-N 2 1 331.460 1.046 20 0 EDADMP CC(C)(O)C[N@H+]1CCCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000368703128 447052723 /nfs/dbraw/zinc/05/27/23/447052723.db2.gz YTEFYHGPSCUANG-UHFFFAOYSA-N 2 1 340.512 1.351 20 0 EDADMP C[C@H](CNc1nc2ccccc2nc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000443456563 447054400 /nfs/dbraw/zinc/05/44/00/447054400.db2.gz WEMSSZJJGFGLKI-CQSZACIVSA-N 2 1 328.464 1.744 20 0 EDADMP Cc1nccn1CC[N@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375813339 447072320 /nfs/dbraw/zinc/07/23/20/447072320.db2.gz ZIFGMKCGZJVMPZ-CVEARBPZSA-N 2 1 336.436 1.561 20 0 EDADMP COc1cc2nc(N3C[C@@H](C)[N@@H+](C)C[C@@H]3C)nc(N)c2cc1OC ZINC000443525620 447060110 /nfs/dbraw/zinc/06/01/10/447060110.db2.gz ZPXVRSCCOVBWQB-MNOVXSKESA-N 2 1 331.420 1.758 20 0 EDADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375889758 447124307 /nfs/dbraw/zinc/12/43/07/447124307.db2.gz LBMCHGCVSJYYFO-SJORKVTESA-N 2 1 338.540 1.780 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCSC[C@@H]2C2CCC2)CC1 ZINC000419360572 447125165 /nfs/dbraw/zinc/12/51/65/447125165.db2.gz LTVKWMNDDZBQBG-MRXNPFEDSA-N 2 1 325.522 1.804 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421307217 447121189 /nfs/dbraw/zinc/12/11/89/447121189.db2.gz XAAVMMLMZQPWCA-INIZCTEOSA-N 2 1 346.475 1.548 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)C[C@H](C)O1 ZINC000444174318 447087921 /nfs/dbraw/zinc/08/79/21/447087921.db2.gz FPXDKKOJDUDYKT-JHDROBOHSA-N 2 1 335.492 1.334 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425397060 447141840 /nfs/dbraw/zinc/14/18/40/447141840.db2.gz QUIKULUSAODWJQ-HOCLYGCPSA-N 2 1 325.497 1.410 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000368846444 447154413 /nfs/dbraw/zinc/15/44/13/447154413.db2.gz QUFVCHAWLFDTGA-JSGCOSHPSA-N 2 1 342.399 1.852 20 0 EDADMP CC(C)[NH+](CCNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)C(C)C ZINC000419411209 447159903 /nfs/dbraw/zinc/15/99/03/447159903.db2.gz HBBLIBFYOWXVQV-JKSUJKDBSA-N 2 1 328.501 1.202 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)CC1 ZINC000375962799 447176366 /nfs/dbraw/zinc/17/63/66/447176366.db2.gz PIKGZWISNBBHOB-MSOLQXFVSA-N 2 1 325.497 1.282 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000455643343 447194989 /nfs/dbraw/zinc/19/49/89/447194989.db2.gz AEWLXOJYRGOJAA-OAHLLOKOSA-N 2 1 336.484 1.544 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000455657436 447198614 /nfs/dbraw/zinc/19/86/14/447198614.db2.gz LSSJIORXEZDQRQ-HNNXBMFYSA-N 2 1 336.484 1.783 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376026456 447217807 /nfs/dbraw/zinc/21/78/07/447217807.db2.gz AKWQWGOFGUDEDD-MRXNPFEDSA-N 2 1 348.495 1.954 20 0 EDADMP CN1CCN(C(=O)CC2CC[NH+](Cc3ccc(F)cn3)CC2)CC1 ZINC000372732970 447255008 /nfs/dbraw/zinc/25/50/08/447255008.db2.gz UDPDZDVKWADRRB-UHFFFAOYSA-N 2 1 334.439 1.597 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000425553652 447227605 /nfs/dbraw/zinc/22/76/05/447227605.db2.gz UDPVUQTYYAFXCC-UHFFFAOYSA-N 2 1 326.400 1.810 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000425553652 447227610 /nfs/dbraw/zinc/22/76/10/447227610.db2.gz UDPVUQTYYAFXCC-UHFFFAOYSA-N 2 1 326.400 1.810 20 0 EDADMP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)n2)CC1 ZINC000376041141 447228614 /nfs/dbraw/zinc/22/86/14/447228614.db2.gz FIUXXKIFNNZVOW-ZBFHGGJFSA-N 2 1 346.479 1.708 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)C(C)C ZINC000419504016 447230099 /nfs/dbraw/zinc/23/00/99/447230099.db2.gz UNFSQSFLNADWBM-IAGOWNOFSA-N 2 1 342.528 1.592 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCC1CC2 ZINC000372732215 447255254 /nfs/dbraw/zinc/25/52/54/447255254.db2.gz MLIAWJICNAUMJA-IBGZPJMESA-N 2 1 343.471 1.584 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCC1CC2 ZINC000372732215 447255261 /nfs/dbraw/zinc/25/52/61/447255261.db2.gz MLIAWJICNAUMJA-IBGZPJMESA-N 2 1 343.471 1.584 20 0 EDADMP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCC[NH+]3CCc4sccc4C3)[C@@H]2C1 ZINC000425665049 447260317 /nfs/dbraw/zinc/26/03/17/447260317.db2.gz VOSAMDTYDCVHKI-GOEBONIOSA-N 2 1 348.516 1.842 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)NCC[NH+]3CCc4sccc4C3)[C@@H]2C1 ZINC000425665049 447260322 /nfs/dbraw/zinc/26/03/22/447260322.db2.gz VOSAMDTYDCVHKI-GOEBONIOSA-N 2 1 348.516 1.842 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)NCC[N@@H+]3CCc4sccc4C3)[C@@H]2C1 ZINC000425665049 447260327 /nfs/dbraw/zinc/26/03/27/447260327.db2.gz VOSAMDTYDCVHKI-GOEBONIOSA-N 2 1 348.516 1.842 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)NCC[N@H+]3CCc4sccc4C3)[C@@H]2C1 ZINC000425665049 447260332 /nfs/dbraw/zinc/26/03/32/447260332.db2.gz VOSAMDTYDCVHKI-GOEBONIOSA-N 2 1 348.516 1.842 20 0 EDADMP COC1([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCCCC1 ZINC000421826675 447260725 /nfs/dbraw/zinc/26/07/25/447260725.db2.gz UHYHNTFOSNDNSV-JKSUJKDBSA-N 2 1 325.497 1.901 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)c2C1 ZINC000415471236 447463622 /nfs/dbraw/zinc/46/36/22/447463622.db2.gz ZCADRZAZLKMCLY-CZUORRHYSA-N 2 1 344.459 1.546 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)c2C1 ZINC000415471236 447463629 /nfs/dbraw/zinc/46/36/29/447463629.db2.gz ZCADRZAZLKMCLY-CZUORRHYSA-N 2 1 344.459 1.546 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000458727079 447464576 /nfs/dbraw/zinc/46/45/76/447464576.db2.gz LVVXNFBIUILITQ-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390656275 447496529 /nfs/dbraw/zinc/49/65/29/447496529.db2.gz WMFCUKWGFMRDLC-BZUAXINKSA-N 2 1 341.496 1.942 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000426809940 447503799 /nfs/dbraw/zinc/50/37/99/447503799.db2.gz GWFROYDWKSTOKA-IYBDPMFKSA-N 2 1 325.497 1.676 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000390913513 447506899 /nfs/dbraw/zinc/50/68/99/447506899.db2.gz ZYBVAXOTIBLYRX-CQSZACIVSA-N 2 1 339.867 1.896 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000495442126 447507076 /nfs/dbraw/zinc/50/70/76/447507076.db2.gz BHZPAUWDFMUCMW-MPGHIAIKSA-N 2 1 341.496 1.726 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000495442126 447507081 /nfs/dbraw/zinc/50/70/81/447507081.db2.gz BHZPAUWDFMUCMW-MPGHIAIKSA-N 2 1 341.496 1.726 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCN(C(=O)OC)C2)CC1 ZINC000495482512 447509239 /nfs/dbraw/zinc/50/92/39/447509239.db2.gz VZODDWPZGIAKBU-CABCVRRESA-N 2 1 327.469 1.554 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000457424278 447577475 /nfs/dbraw/zinc/57/74/75/447577475.db2.gz QFNSIRDZZIQRNL-ROUUACIJSA-N 2 1 348.491 1.435 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000457515698 447584679 /nfs/dbraw/zinc/58/46/79/447584679.db2.gz CLBRTKLZDNWNPS-YLFCFFPRSA-N 2 1 335.492 1.476 20 0 EDADMP CN(C(=O)CC[N@H+]1CCc2ccccc2C1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000416237579 447546150 /nfs/dbraw/zinc/54/61/50/447546150.db2.gz FEJYEUANAMKRCY-MOPGFXCFSA-N 2 1 343.471 1.366 20 0 EDADMP O=C(CC[NH+]1CCc2ccccc2C1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000416245372 447546368 /nfs/dbraw/zinc/54/63/68/447546368.db2.gz YAZTUSKQXRMKDU-IBGZPJMESA-N 2 1 345.487 1.398 20 0 EDADMP O=C(CC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CCCC[NH+]1CCO ZINC000416245372 447546376 /nfs/dbraw/zinc/54/63/76/447546376.db2.gz YAZTUSKQXRMKDU-IBGZPJMESA-N 2 1 345.487 1.398 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)NC[C@@H]1CCCC[NH+]1CCO ZINC000416245372 447546386 /nfs/dbraw/zinc/54/63/86/447546386.db2.gz YAZTUSKQXRMKDU-IBGZPJMESA-N 2 1 345.487 1.398 20 0 EDADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000450656273 447551403 /nfs/dbraw/zinc/55/14/03/447551403.db2.gz VVXOOGKVAFVLMH-MJGOQNOKSA-N 2 1 348.487 1.310 20 0 EDADMP COCCCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000397965362 447553963 /nfs/dbraw/zinc/55/39/63/447553963.db2.gz GQDFXJUOTCKEGQ-WMZOPIPTSA-N 2 1 333.476 1.639 20 0 EDADMP COCCCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000397965362 447553969 /nfs/dbraw/zinc/55/39/69/447553969.db2.gz GQDFXJUOTCKEGQ-WMZOPIPTSA-N 2 1 333.476 1.639 20 0 EDADMP COC[C@]1(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000398106569 447556915 /nfs/dbraw/zinc/55/69/15/447556915.db2.gz BOGNSVHBUDHWAC-AYBZRNKSSA-N 2 1 331.460 1.392 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420034008 447557474 /nfs/dbraw/zinc/55/74/74/447557474.db2.gz BVRUKDAAYFRBCE-INIZCTEOSA-N 2 1 338.496 1.016 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)C1 ZINC000427264797 447571851 /nfs/dbraw/zinc/57/18/51/447571851.db2.gz IZMHUVXNOFWEMB-HZPDHXFCSA-N 2 1 344.459 1.322 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000457692414 447620702 /nfs/dbraw/zinc/62/07/02/447620702.db2.gz NPOBCOTVPOTENS-TWMKSMIVSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000457692414 447620705 /nfs/dbraw/zinc/62/07/05/447620705.db2.gz NPOBCOTVPOTENS-TWMKSMIVSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000457692414 447620714 /nfs/dbraw/zinc/62/07/14/447620714.db2.gz NPOBCOTVPOTENS-TWMKSMIVSA-N 2 1 340.512 1.203 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1CCOC ZINC000459261029 447625454 /nfs/dbraw/zinc/62/54/54/447625454.db2.gz LAOQCPIZZRQIMB-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1CCOC ZINC000459261029 447625460 /nfs/dbraw/zinc/62/54/60/447625460.db2.gz LAOQCPIZZRQIMB-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1CCOC ZINC000459261029 447625465 /nfs/dbraw/zinc/62/54/65/447625465.db2.gz LAOQCPIZZRQIMB-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416916921 447708798 /nfs/dbraw/zinc/70/87/98/447708798.db2.gz ICWWNZWBGRLGGH-KFWWJZLASA-N 2 1 328.501 1.691 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416916921 447708801 /nfs/dbraw/zinc/70/88/01/447708801.db2.gz ICWWNZWBGRLGGH-KFWWJZLASA-N 2 1 328.501 1.691 20 0 EDADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCNS(=O)(=O)N(C)C)CC1 ZINC000459543689 447701622 /nfs/dbraw/zinc/70/16/22/447701622.db2.gz YEJRKEJCIWONCX-GOEBONIOSA-N 2 1 346.541 1.015 20 0 EDADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCNS(=O)(=O)N(C)C)CC1 ZINC000459543691 447701975 /nfs/dbraw/zinc/70/19/75/447701975.db2.gz YEJRKEJCIWONCX-ZBFHGGJFSA-N 2 1 346.541 1.015 20 0 EDADMP Cc1cc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc(C)n1 ZINC000422585927 447655945 /nfs/dbraw/zinc/65/59/45/447655945.db2.gz DXLWPMXZMTZQHP-INIZCTEOSA-N 2 1 330.432 1.010 20 0 EDADMP Cc1cc(CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc(C)n1 ZINC000422585927 447655950 /nfs/dbraw/zinc/65/59/50/447655950.db2.gz DXLWPMXZMTZQHP-INIZCTEOSA-N 2 1 330.432 1.010 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000420184832 447660239 /nfs/dbraw/zinc/66/02/39/447660239.db2.gz JZQOWGJVHWFXQP-JKQORVJESA-N 2 1 333.480 2.266 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N2CCC(C[NH3+])CC2)n1 ZINC000420194136 447664265 /nfs/dbraw/zinc/66/42/65/447664265.db2.gz ZUEWEAVDOACAIL-WBVHZDCISA-N 2 1 333.480 2.267 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@H]1CCC[NH+]1CCCO)Cc1ccccc1 ZINC000457921205 447672710 /nfs/dbraw/zinc/67/27/10/447672710.db2.gz BQJJYSSUPWNFDV-GOSISDBHSA-N 2 1 348.491 1.264 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)Cc1ccccc1 ZINC000457921205 447672715 /nfs/dbraw/zinc/67/27/15/447672715.db2.gz BQJJYSSUPWNFDV-GOSISDBHSA-N 2 1 348.491 1.264 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@H+]1CCCO)Cc1ccccc1 ZINC000457921205 447672719 /nfs/dbraw/zinc/67/27/19/447672719.db2.gz BQJJYSSUPWNFDV-GOSISDBHSA-N 2 1 348.491 1.264 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000457927305 447674373 /nfs/dbraw/zinc/67/43/73/447674373.db2.gz IGHFCXGVLPSTHE-IKGGRYGDSA-N 2 1 340.512 1.253 20 0 EDADMP COCC[NH2+]CCNc1cc[nH+]c(N[C@H]2CCCO[C@@H]2C(C)C)n1 ZINC000420220883 447676214 /nfs/dbraw/zinc/67/62/14/447676214.db2.gz WQJVZKFPXDIPNQ-GOEBONIOSA-N 2 1 337.468 1.740 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCc2cc(F)cc(F)c2)C[C@@H]1C[NH3+] ZINC000422631153 447678742 /nfs/dbraw/zinc/67/87/42/447678742.db2.gz FCIBMPUVGNFBLH-BZPMIXESSA-N 2 1 325.403 1.886 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)C[C@@H]1C[NH3+] ZINC000422631153 447678749 /nfs/dbraw/zinc/67/87/49/447678749.db2.gz FCIBMPUVGNFBLH-BZPMIXESSA-N 2 1 325.403 1.886 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](CCNS(=O)(=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000422636610 447682435 /nfs/dbraw/zinc/68/24/35/447682435.db2.gz NFJAWQONBVJEDF-RBSFLKMASA-N 2 1 325.478 1.270 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCNS(=O)(=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000422636610 447682439 /nfs/dbraw/zinc/68/24/39/447682439.db2.gz NFJAWQONBVJEDF-RBSFLKMASA-N 2 1 325.478 1.270 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCC(C)CC1 ZINC000458048772 447708579 /nfs/dbraw/zinc/70/85/79/447708579.db2.gz OSISOZAZXKIDGT-SJORKVTESA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccco1 ZINC000416812645 447690027 /nfs/dbraw/zinc/69/00/27/447690027.db2.gz LUSWPEVJGBGXJO-ARFHVFGLSA-N 2 1 334.464 1.913 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)[nH+]c1 ZINC000417058888 447732246 /nfs/dbraw/zinc/73/22/46/447732246.db2.gz GYCXEGNNYMMHRK-QGZVFWFLSA-N 2 1 345.491 2.223 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000417104034 447735311 /nfs/dbraw/zinc/73/53/11/447735311.db2.gz DTIDMIDIRALXSI-VNHYZAJKSA-N 2 1 336.505 1.792 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000417104034 447735316 /nfs/dbraw/zinc/73/53/16/447735316.db2.gz DTIDMIDIRALXSI-VNHYZAJKSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)C2CC([NH3+])C2)cc1F ZINC000417267054 447740234 /nfs/dbraw/zinc/74/02/34/447740234.db2.gz GJARQPHHZNPVTI-UHFFFAOYSA-N 2 1 331.395 1.951 20 0 EDADMP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000429428718 447748275 /nfs/dbraw/zinc/74/82/75/447748275.db2.gz USULHSCXRDKXCI-PBHICJAKSA-N 2 1 340.489 1.537 20 0 EDADMP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000429428718 447748277 /nfs/dbraw/zinc/74/82/77/447748277.db2.gz USULHSCXRDKXCI-PBHICJAKSA-N 2 1 340.489 1.537 20 0 EDADMP COc1ccc([C@@H](NCCCN2CC[NH+](C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422795091 447752597 /nfs/dbraw/zinc/75/25/97/447752597.db2.gz ZRGNEGRJHGKKLA-WOJBJXKFSA-N 2 1 346.519 1.715 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H]2COCC2(C)C)CC1 ZINC000451822492 447756594 /nfs/dbraw/zinc/75/65/94/447756594.db2.gz HKSTZCITIPXXRK-SFHVURJKSA-N 2 1 345.487 1.654 20 0 EDADMP C[C@H]([NH2+]CCCN1c2ccccc2OCC1=O)c1c[nH+]ccc1N ZINC000422927406 447774570 /nfs/dbraw/zinc/77/45/70/447774570.db2.gz YRMJQMIWCKENBG-ZDUSSCGKSA-N 2 1 326.400 1.960 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1OC ZINC000430563625 447780023 /nfs/dbraw/zinc/78/00/23/447780023.db2.gz JNSYKYKHFVMUEF-HUUCEWRRSA-N 2 1 349.475 1.721 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1OC ZINC000430563625 447780027 /nfs/dbraw/zinc/78/00/27/447780027.db2.gz JNSYKYKHFVMUEF-HUUCEWRRSA-N 2 1 349.475 1.721 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000430565285 447780398 /nfs/dbraw/zinc/78/03/98/447780398.db2.gz FEZSTFZUGGRZFR-IEBWSBKVSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000430565285 447780401 /nfs/dbraw/zinc/78/04/01/447780401.db2.gz FEZSTFZUGGRZFR-IEBWSBKVSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430565285 447780403 /nfs/dbraw/zinc/78/04/03/447780403.db2.gz FEZSTFZUGGRZFR-IEBWSBKVSA-N 2 1 344.503 1.390 20 0 EDADMP OC(C[NH+]1CCC[C@@]2(CCOC2)C1)C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451913371 447781955 /nfs/dbraw/zinc/78/19/55/447781955.db2.gz WLMJTDBKHMZNOG-RTBURBONSA-N 2 1 338.492 1.352 20 0 EDADMP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2c[nH+]ccc2N)ncn1 ZINC000422963047 447782234 /nfs/dbraw/zinc/78/22/34/447782234.db2.gz FGNSYMPKVLMVOR-OLZOCXBDSA-N 2 1 327.436 1.645 20 0 EDADMP COc1cc(NC(=O)CC[N@H+]2CC[C@@H](C[NH3+])C2)cc(OC)c1OC ZINC000430930267 447788186 /nfs/dbraw/zinc/78/81/86/447788186.db2.gz XVYXKAWZEMHGQK-LBPRGKRZSA-N 2 1 337.420 1.322 20 0 EDADMP CC[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)C1 ZINC000488502884 447847819 /nfs/dbraw/zinc/84/78/19/447847819.db2.gz ISETZUXDHRWLFH-ZKRNXSKHSA-N 2 1 333.480 1.239 20 0 EDADMP CC[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)C1 ZINC000488502884 447847820 /nfs/dbraw/zinc/84/78/20/447847820.db2.gz ISETZUXDHRWLFH-ZKRNXSKHSA-N 2 1 333.480 1.239 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000522924904 447864216 /nfs/dbraw/zinc/86/42/16/447864216.db2.gz MNTLXTGBEYGQFY-QZTJIDSGSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522924904 447864218 /nfs/dbraw/zinc/86/42/18/447864218.db2.gz MNTLXTGBEYGQFY-QZTJIDSGSA-N 2 1 330.476 1.894 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC(C)(C)CCNC(=O)C[N@H+](C)C(C)C ZINC000452566334 447823559 /nfs/dbraw/zinc/82/35/59/447823559.db2.gz UHJLBZSPRKHUGF-UHFFFAOYSA-N 2 1 328.501 1.068 20 0 EDADMP CC(C)[NH+](C)CC(=O)NCCC(C)(C)NC(=O)C[N@H+](C)C(C)C ZINC000452566334 447823560 /nfs/dbraw/zinc/82/35/60/447823560.db2.gz UHJLBZSPRKHUGF-UHFFFAOYSA-N 2 1 328.501 1.068 20 0 EDADMP CC(C)[NH+](C)CC(=O)NCCC(C)(C)NC(=O)C[N@@H+](C)C(C)C ZINC000452566334 447823561 /nfs/dbraw/zinc/82/35/61/447823561.db2.gz UHJLBZSPRKHUGF-UHFFFAOYSA-N 2 1 328.501 1.068 20 0 EDADMP C[C@H](NC(=O)NC1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569695071 447869322 /nfs/dbraw/zinc/86/93/22/447869322.db2.gz BUGGECAQRZIRRM-YJBOKZPZSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@H](NC(=O)NC1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569695071 447869326 /nfs/dbraw/zinc/86/93/26/447869326.db2.gz BUGGECAQRZIRRM-YJBOKZPZSA-N 2 1 346.475 1.327 20 0 EDADMP CC(C)[NH2+]CCC(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000575987443 447944394 /nfs/dbraw/zinc/94/43/94/447944394.db2.gz VUTWZJOATGGGCF-UHFFFAOYSA-N 2 1 332.492 1.484 20 0 EDADMP C[NH+]1CCCN(c2nc(C3CC3)cc(N3CCC[N@H+](C)CC3)n2)CC1 ZINC000552885260 447962941 /nfs/dbraw/zinc/96/29/41/447962941.db2.gz GOFZVQVPLVUCGP-UHFFFAOYSA-N 2 1 344.507 1.638 20 0 EDADMP C[NH+]1CCCN(c2cc(C3CC3)nc(N3CCC[N@H+](C)CC3)n2)CC1 ZINC000552885260 447962945 /nfs/dbraw/zinc/96/29/45/447962945.db2.gz GOFZVQVPLVUCGP-UHFFFAOYSA-N 2 1 344.507 1.638 20 0 EDADMP C[NH+]1CCCN(c2cc(C3CC3)nc(N3CCC[N@@H+](C)CC3)n2)CC1 ZINC000552885260 447962949 /nfs/dbraw/zinc/96/29/49/447962949.db2.gz GOFZVQVPLVUCGP-UHFFFAOYSA-N 2 1 344.507 1.638 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000530912922 447983636 /nfs/dbraw/zinc/98/36/36/447983636.db2.gz CDVZSNQADPAJKO-QWFCFKBJSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000576211664 447999097 /nfs/dbraw/zinc/99/90/97/447999097.db2.gz UGEONEBNXUUMEB-NXHRZFHOSA-N 2 1 345.491 1.025 20 0 EDADMP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc2c(c1)OCO2 ZINC000576220271 448002502 /nfs/dbraw/zinc/00/25/02/448002502.db2.gz KRBLISKZMHDDAN-DZGCQCFKSA-N 2 1 334.416 1.229 20 0 EDADMP CN(C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000525692909 448011955 /nfs/dbraw/zinc/01/19/55/448011955.db2.gz KUJAUBRBBAOPIS-IBGZPJMESA-N 2 1 331.460 1.176 20 0 EDADMP [NH3+][C@@H](CC(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000570265276 447971474 /nfs/dbraw/zinc/97/14/74/447971474.db2.gz QOXMKSPSZXKHHK-ABHNRTSZSA-N 2 1 330.476 1.409 20 0 EDADMP CCOC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000576101510 447972579 /nfs/dbraw/zinc/97/25/79/447972579.db2.gz WUHCZBCAOGAAOY-INIZCTEOSA-N 2 1 325.453 1.490 20 0 EDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000497286434 448041146 /nfs/dbraw/zinc/04/11/46/448041146.db2.gz XNOHHBMYRMBVOE-KEYYUXOJSA-N 2 1 327.469 1.431 20 0 EDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000497286434 448041147 /nfs/dbraw/zinc/04/11/47/448041147.db2.gz XNOHHBMYRMBVOE-KEYYUXOJSA-N 2 1 327.469 1.431 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531299908 448058072 /nfs/dbraw/zinc/05/80/72/448058072.db2.gz NDADLERCFVUJFN-QUCCMNQESA-N 2 1 345.487 1.424 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531299908 448058075 /nfs/dbraw/zinc/05/80/75/448058075.db2.gz NDADLERCFVUJFN-QUCCMNQESA-N 2 1 345.487 1.424 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531299908 448058081 /nfs/dbraw/zinc/05/80/81/448058081.db2.gz NDADLERCFVUJFN-QUCCMNQESA-N 2 1 345.487 1.424 20 0 EDADMP CCC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000502380116 448099930 /nfs/dbraw/zinc/09/99/30/448099930.db2.gz UGQCJWUATDASQF-RYQLBKOJSA-N 2 1 349.523 1.992 20 0 EDADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000571053851 448102052 /nfs/dbraw/zinc/10/20/52/448102052.db2.gz ICUKMJOXKITRBF-CHWSQXEVSA-N 2 1 342.281 1.931 20 0 EDADMP COC[C@@]1(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CCC[NH2+]1 ZINC000576871971 448158618 /nfs/dbraw/zinc/15/86/18/448158618.db2.gz MQRJOZCTKFZLHO-MJGOQNOKSA-N 2 1 346.475 1.178 20 0 EDADMP C[N@@H+](C[C@H](O)CNCc1ccncc1OC[C@H]1CCOC1)C1CC1 ZINC000571159432 448113361 /nfs/dbraw/zinc/11/33/61/448113361.db2.gz LLWMRIHXEOIITL-WMLDXEAASA-N 2 1 335.448 1.042 20 0 EDADMP C[NH2+]CCCNC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000576730056 448128146 /nfs/dbraw/zinc/12/81/46/448128146.db2.gz ZXFZMUMLHUZFQS-WBVHZDCISA-N 2 1 334.464 1.185 20 0 EDADMP C[NH2+]CCCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000576730056 448128148 /nfs/dbraw/zinc/12/81/48/448128148.db2.gz ZXFZMUMLHUZFQS-WBVHZDCISA-N 2 1 334.464 1.185 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000527253811 448195347 /nfs/dbraw/zinc/19/53/47/448195347.db2.gz IPZBGPJWRNBTHC-HZPDHXFCSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC000527253811 448195349 /nfs/dbraw/zinc/19/53/49/448195349.db2.gz IPZBGPJWRNBTHC-HZPDHXFCSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC000527253811 448195353 /nfs/dbraw/zinc/19/53/53/448195353.db2.gz IPZBGPJWRNBTHC-HZPDHXFCSA-N 2 1 325.497 1.555 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN[C@@H]1CC[NH+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000576884764 448163617 /nfs/dbraw/zinc/16/36/17/448163617.db2.gz LIGXNWCPVYZHSH-MISYRCLQSA-N 2 1 347.503 1.875 20 0 EDADMP CC[NH+](C)C[C@H](O)CN[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000576884764 448163621 /nfs/dbraw/zinc/16/36/21/448163621.db2.gz LIGXNWCPVYZHSH-MISYRCLQSA-N 2 1 347.503 1.875 20 0 EDADMP CC[NH+](C)C[C@H](O)CN[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000576884764 448163623 /nfs/dbraw/zinc/16/36/23/448163623.db2.gz LIGXNWCPVYZHSH-MISYRCLQSA-N 2 1 347.503 1.875 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccncc3)CC2)CC1 ZINC000571906378 448233497 /nfs/dbraw/zinc/23/34/97/448233497.db2.gz TYAAZKNGXVDWGF-UHFFFAOYSA-N 2 1 330.476 1.894 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000515174661 448269833 /nfs/dbraw/zinc/26/98/33/448269833.db2.gz MYLYFQHUVBIBAF-INIZCTEOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCc3ccccc3)C2)O1 ZINC000527553811 448276897 /nfs/dbraw/zinc/27/68/97/448276897.db2.gz BBFSRYZKKIRHMD-BHIYHBOVSA-N 2 1 345.487 1.481 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCc3ccccc3)C2)O1 ZINC000527553811 448276904 /nfs/dbraw/zinc/27/69/04/448276904.db2.gz BBFSRYZKKIRHMD-BHIYHBOVSA-N 2 1 345.487 1.481 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)O1 ZINC000527553811 448276912 /nfs/dbraw/zinc/27/69/12/448276912.db2.gz BBFSRYZKKIRHMD-BHIYHBOVSA-N 2 1 345.487 1.481 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)O1 ZINC000527553811 448276918 /nfs/dbraw/zinc/27/69/18/448276918.db2.gz BBFSRYZKKIRHMD-BHIYHBOVSA-N 2 1 345.487 1.481 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000591409575 448355057 /nfs/dbraw/zinc/35/50/57/448355057.db2.gz UCDMTKWMGFITPQ-NXHRZFHOSA-N 2 1 346.475 1.452 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000591418491 448357504 /nfs/dbraw/zinc/35/75/04/448357504.db2.gz DMAVKZBAEHSIMC-HUUCEWRRSA-N 2 1 336.505 1.105 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000591418491 448357509 /nfs/dbraw/zinc/35/75/09/448357509.db2.gz DMAVKZBAEHSIMC-HUUCEWRRSA-N 2 1 336.505 1.105 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000582894904 448370634 /nfs/dbraw/zinc/37/06/34/448370634.db2.gz ZZTOTXJKOXJQCG-HNNXBMFYSA-N 2 1 326.485 1.269 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)C1 ZINC000577589724 448333519 /nfs/dbraw/zinc/33/35/19/448333519.db2.gz JXWCOJASMAPCJZ-NVXWUHKLSA-N 2 1 341.459 1.480 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](CCOc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000516168800 448389916 /nfs/dbraw/zinc/38/99/16/448389916.db2.gz GGWLYQLJJBVGEY-QZTJIDSGSA-N 2 1 344.459 1.286 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CCOC)C12CCCCC2 ZINC000577861675 448405394 /nfs/dbraw/zinc/40/53/94/448405394.db2.gz JQAQCLSDGQKVKQ-BRWVUGGUSA-N 2 1 328.497 1.643 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)C12CCCCC2 ZINC000577861675 448405399 /nfs/dbraw/zinc/40/53/99/448405399.db2.gz JQAQCLSDGQKVKQ-BRWVUGGUSA-N 2 1 328.497 1.643 20 0 EDADMP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000584459603 448533187 /nfs/dbraw/zinc/53/31/87/448533187.db2.gz ZWTIDZKXFZSTKD-DJIMGWMZSA-N 2 1 336.480 1.151 20 0 EDADMP CO[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)[C@@H](C[NH3+])C1 ZINC000517225341 448556766 /nfs/dbraw/zinc/55/67/66/448556766.db2.gz DGBHXDGNMKLPHH-OAGGEKHMSA-N 2 1 326.485 1.255 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)CC1 ZINC000584538813 448564204 /nfs/dbraw/zinc/56/42/04/448564204.db2.gz BPWRKHPHQDOMAP-RTBURBONSA-N 2 1 349.519 1.866 20 0 EDADMP [NH3+][C@H]1CCN(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000566845946 448568669 /nfs/dbraw/zinc/56/86/69/448568669.db2.gz WYOQKKXTRAGXJS-JKSUJKDBSA-N 2 1 334.489 1.347 20 0 EDADMP [NH3+][C@H]1CCN(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000566845946 448568678 /nfs/dbraw/zinc/56/86/78/448568678.db2.gz WYOQKKXTRAGXJS-JKSUJKDBSA-N 2 1 334.489 1.347 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCN2CCOC[C@H]2C)C1 ZINC000517140097 448542603 /nfs/dbraw/zinc/54/26/03/448542603.db2.gz CPXHXCYJWFXXDR-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)C2=O)n1 ZINC000517153930 448545560 /nfs/dbraw/zinc/54/55/60/448545560.db2.gz LAGIBDZUFJLJOG-JYJNAYRXSA-N 2 1 331.464 1.237 20 0 EDADMP COCCc1noc(CC2CC[NH+](CCCc3c[nH+]cn3C)CC2)n1 ZINC000528617038 448604957 /nfs/dbraw/zinc/60/49/57/448604957.db2.gz DOXVFJJROUJGOZ-UHFFFAOYSA-N 2 1 347.463 1.879 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000539438909 448612674 /nfs/dbraw/zinc/61/26/74/448612674.db2.gz PRCDJRARCRMMOY-GOSISDBHSA-N 2 1 328.460 1.672 20 0 EDADMP C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000539438909 448612677 /nfs/dbraw/zinc/61/26/77/448612677.db2.gz PRCDJRARCRMMOY-GOSISDBHSA-N 2 1 328.460 1.672 20 0 EDADMP C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000539438909 448612680 /nfs/dbraw/zinc/61/26/80/448612680.db2.gz PRCDJRARCRMMOY-GOSISDBHSA-N 2 1 328.460 1.672 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000566904479 448581311 /nfs/dbraw/zinc/58/13/11/448581311.db2.gz BPFMPIGARHYNRI-FZCLSBEQSA-N 2 1 330.476 1.947 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCCN2CCN(c3ncccn3)CC2)C1 ZINC000573267051 448584899 /nfs/dbraw/zinc/58/48/99/448584899.db2.gz YJGUYUHEMWSTQC-IAGOWNOFSA-N 2 1 332.496 1.238 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000584769917 448624628 /nfs/dbraw/zinc/62/46/28/448624628.db2.gz FEWCFGYGGZFHFE-UHFFFAOYSA-N 2 1 339.528 1.363 20 0 EDADMP CN(C)C(=O)Cc1nc(C[N@@H+]2CC[C@H](c3nccn3C)C2)cs1 ZINC000566922544 448586666 /nfs/dbraw/zinc/58/66/66/448586666.db2.gz PCDLPAIFQQBEDW-LBPRGKRZSA-N 2 1 333.461 1.497 20 0 EDADMP CN(C)C(=O)Cc1nc(C[N@H+]2CC[C@H](c3nccn3C)C2)cs1 ZINC000566922544 448586672 /nfs/dbraw/zinc/58/66/72/448586672.db2.gz PCDLPAIFQQBEDW-LBPRGKRZSA-N 2 1 333.461 1.497 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000573308995 448593240 /nfs/dbraw/zinc/59/32/40/448593240.db2.gz ZGJVTWJTPITZAR-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000573485276 448638729 /nfs/dbraw/zinc/63/87/29/448638729.db2.gz KXUVRNLMDRKUCB-KZNAEPCWSA-N 2 1 328.460 1.362 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000567348381 448671049 /nfs/dbraw/zinc/67/10/49/448671049.db2.gz BEHUCWZRTHSBHL-MRXNPFEDSA-N 2 1 348.495 1.395 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1)[C@H]1CCC[NH2+]1 ZINC000579008518 448694253 /nfs/dbraw/zinc/69/42/53/448694253.db2.gz ZHXYRQQQPJDBFZ-DZGCQCFKSA-N 2 1 332.448 1.632 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1)[C@H]1CCC[NH2+]1 ZINC000579008518 448694256 /nfs/dbraw/zinc/69/42/56/448694256.db2.gz ZHXYRQQQPJDBFZ-DZGCQCFKSA-N 2 1 332.448 1.632 20 0 EDADMP CC[C@H](CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000567822304 448768498 /nfs/dbraw/zinc/76/84/98/448768498.db2.gz JUUZFFPSPXPQIN-FGTMMUONSA-N 2 1 331.460 1.316 20 0 EDADMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000568051070 448807132 /nfs/dbraw/zinc/80/71/32/448807132.db2.gz VRLKJOQFRDAXBU-MAUKXSAKSA-N 2 1 345.487 1.695 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529312371 448816564 /nfs/dbraw/zinc/81/65/64/448816564.db2.gz FCAIKACOIHAEBZ-KBAYOESNSA-N 2 1 346.475 1.185 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)o1 ZINC000592410011 448826380 /nfs/dbraw/zinc/82/63/80/448826380.db2.gz RMZVMNCGPDHBMA-IRXDYDNUSA-N 2 1 349.475 1.793 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000529358994 448840110 /nfs/dbraw/zinc/84/01/10/448840110.db2.gz KRGOQRXBVZZYCF-HOTGVXAUSA-N 2 1 336.480 1.167 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2n[nH]c3c2CCC3)CC1 ZINC000520425673 448897468 /nfs/dbraw/zinc/89/74/68/448897468.db2.gz VGSLGYRJNQKTTA-UHFFFAOYSA-N 2 1 326.404 1.298 20 0 EDADMP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000520481588 448902335 /nfs/dbraw/zinc/90/23/35/448902335.db2.gz VRRVRRJEZYZIBS-QGZVFWFLSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000568763083 448917878 /nfs/dbraw/zinc/91/78/78/448917878.db2.gz CZTSHLDAFCGNNE-RDJZCZTQSA-N 2 1 348.466 1.676 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)c1ccccc1 ZINC000547787126 448929138 /nfs/dbraw/zinc/92/91/38/448929138.db2.gz GBCVNZYFJAKHEX-FJIDUMEYSA-N 2 1 331.460 1.108 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000520782352 448929691 /nfs/dbraw/zinc/92/96/91/448929691.db2.gz JSHGRYMAJHRZFL-CQSZACIVSA-N 2 1 326.485 1.269 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000574504370 448888151 /nfs/dbraw/zinc/88/81/51/448888151.db2.gz CXQUXPQAJDVKJU-QAPCUYQASA-N 2 1 330.476 1.905 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@@H](C4CC4)C3)CC2)CC1 ZINC000569503824 449035662 /nfs/dbraw/zinc/03/56/62/449035662.db2.gz SRTSKTHEXNXSOE-LJQANCHMSA-N 2 1 349.519 1.820 20 0 EDADMP C[N@H+](CCc1cccc(NC[C@@H](O)CN2CC[NH+](C)CC2)c1)C1CC1 ZINC000575378761 449087358 /nfs/dbraw/zinc/08/73/58/449087358.db2.gz HCWNTYYKZGNVMG-HXUWFJFHSA-N 2 1 346.519 1.344 20 0 EDADMP C[N@@H+](CCc1cccc(NC[C@@H](O)CN2CC[NH+](C)CC2)c1)C1CC1 ZINC000575378761 449087363 /nfs/dbraw/zinc/08/73/63/449087363.db2.gz HCWNTYYKZGNVMG-HXUWFJFHSA-N 2 1 346.519 1.344 20 0 EDADMP COC(=O)[C@]1(NC[C@H]2CCC[NH+]2C)CCC[N@H+](Cc2ccccc2)C1 ZINC000593018697 449104846 /nfs/dbraw/zinc/10/48/46/449104846.db2.gz AXGJIHSYADMWSI-QUCCMNQESA-N 2 1 345.487 1.878 20 0 EDADMP COC(=O)[C@]1(NC[C@H]2CCC[NH+]2C)CCC[N@@H+](Cc2ccccc2)C1 ZINC000593018697 449104849 /nfs/dbraw/zinc/10/48/49/449104849.db2.gz AXGJIHSYADMWSI-QUCCMNQESA-N 2 1 345.487 1.878 20 0 EDADMP COC(=O)[C@]1(NC[C@H]2CCC[N@@H+]2C)CCC[NH+](Cc2ccccc2)C1 ZINC000593018697 449104855 /nfs/dbraw/zinc/10/48/55/449104855.db2.gz AXGJIHSYADMWSI-QUCCMNQESA-N 2 1 345.487 1.878 20 0 EDADMP COC(=O)[C@]1(NC[C@H]2CCC[N@H+]2C)CCC[NH+](Cc2ccccc2)C1 ZINC000593018697 449104857 /nfs/dbraw/zinc/10/48/57/449104857.db2.gz AXGJIHSYADMWSI-QUCCMNQESA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H]1CCC[N@H+](CC(=O)NC(=O)NCc2ccccc2)[C@@H]1CC[NH3+] ZINC000593730798 449166099 /nfs/dbraw/zinc/16/60/99/449166099.db2.gz GXORXOJGURXYLP-GOEBONIOSA-N 2 1 332.448 1.462 20 0 EDADMP C[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)[C@@H]1CC[NH3+] ZINC000593730798 449166102 /nfs/dbraw/zinc/16/61/02/449166102.db2.gz GXORXOJGURXYLP-GOEBONIOSA-N 2 1 332.448 1.462 20 0 EDADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593735067 449169627 /nfs/dbraw/zinc/16/96/27/449169627.db2.gz WXYZACVREDZAFC-JYJNAYRXSA-N 2 1 339.480 1.380 20 0 EDADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593735067 449169631 /nfs/dbraw/zinc/16/96/31/449169631.db2.gz WXYZACVREDZAFC-JYJNAYRXSA-N 2 1 339.480 1.380 20 0 EDADMP COC(=O)CCN1CCC[C@H]([N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1=O ZINC000595885924 449232051 /nfs/dbraw/zinc/23/20/51/449232051.db2.gz QIQQLTOGFDNDJR-XHSDSOJGSA-N 2 1 337.464 1.005 20 0 EDADMP COC(=O)CCN1CCC[C@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1=O ZINC000595885924 449232056 /nfs/dbraw/zinc/23/20/56/449232056.db2.gz QIQQLTOGFDNDJR-XHSDSOJGSA-N 2 1 337.464 1.005 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(N(C)C)nc3)C2)CC1 ZINC000611276245 449246820 /nfs/dbraw/zinc/24/68/20/449246820.db2.gz HSVDANCNTZSHBP-SFHVURJKSA-N 2 1 331.508 1.748 20 0 EDADMP CCn1ccnc1CN1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000600500613 449413811 /nfs/dbraw/zinc/41/38/11/449413811.db2.gz PMQVODMPHYWUSE-INIZCTEOSA-N 2 1 333.480 1.422 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000605523909 449390799 /nfs/dbraw/zinc/39/07/99/449390799.db2.gz YDIDFSJYBUSPGZ-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000600635955 449467689 /nfs/dbraw/zinc/46/76/89/449467689.db2.gz MMWFGEZCQPIDJE-QGZVFWFLSA-N 2 1 333.480 1.578 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000600635955 449467693 /nfs/dbraw/zinc/46/76/93/449467693.db2.gz MMWFGEZCQPIDJE-QGZVFWFLSA-N 2 1 333.480 1.578 20 0 EDADMP COC(=O)CCNC(=O)CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000600711622 449510414 /nfs/dbraw/zinc/51/04/14/449510414.db2.gz SOZJULAKIKTAQC-JKSUJKDBSA-N 2 1 333.432 1.139 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000600965064 449618951 /nfs/dbraw/zinc/61/89/51/449618951.db2.gz FVWJRQVXGUIOFG-GOSISDBHSA-N 2 1 344.503 1.799 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnn(C)c1C(F)F ZINC000617505063 449649937 /nfs/dbraw/zinc/64/99/37/449649937.db2.gz WAKWCYXTZCJLBT-NSHDSACASA-N 2 1 331.411 1.360 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnn(C)c1C(F)F ZINC000617505063 449649943 /nfs/dbraw/zinc/64/99/43/449649943.db2.gz WAKWCYXTZCJLBT-NSHDSACASA-N 2 1 331.411 1.360 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000617506291 449652839 /nfs/dbraw/zinc/65/28/39/449652839.db2.gz IZCFYSXIGMHZJR-LBPRGKRZSA-N 2 1 334.420 1.535 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000617506291 449652846 /nfs/dbraw/zinc/65/28/46/449652846.db2.gz IZCFYSXIGMHZJR-LBPRGKRZSA-N 2 1 334.420 1.535 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000602508012 449638615 /nfs/dbraw/zinc/63/86/15/449638615.db2.gz YSWJBGVPFCQNNG-CVEARBPZSA-N 2 1 337.464 1.300 20 0 EDADMP Cn1nc(C(=O)OC(C)(C)C)cc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000602511826 449640453 /nfs/dbraw/zinc/64/04/53/449640453.db2.gz RPXKOOQLTBSZHB-ZDUSSCGKSA-N 2 1 334.464 1.949 20 0 EDADMP Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000602511826 449640459 /nfs/dbraw/zinc/64/04/59/449640459.db2.gz RPXKOOQLTBSZHB-ZDUSSCGKSA-N 2 1 334.464 1.949 20 0 EDADMP Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000602511826 449640464 /nfs/dbraw/zinc/64/04/64/449640464.db2.gz RPXKOOQLTBSZHB-ZDUSSCGKSA-N 2 1 334.464 1.949 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000612331616 449647409 /nfs/dbraw/zinc/64/74/09/449647409.db2.gz KLGWZSSVHNQNDB-OAHLLOKOSA-N 2 1 327.517 1.042 20 0 EDADMP C[C@@H](C(=O)NCCN(C)CCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000617766617 449828341 /nfs/dbraw/zinc/82/83/41/449828341.db2.gz RCEZGQOBGQLBHG-KRWDZBQOSA-N 2 1 346.519 1.433 20 0 EDADMP C[C@@H](C(=O)NCCN(C)CCC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000617766617 449828346 /nfs/dbraw/zinc/82/83/46/449828346.db2.gz RCEZGQOBGQLBHG-KRWDZBQOSA-N 2 1 346.519 1.433 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000615084074 449943944 /nfs/dbraw/zinc/94/39/44/449943944.db2.gz RBLVYGLGJWDJRC-INIZCTEOSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000612868582 449919117 /nfs/dbraw/zinc/91/91/17/449919117.db2.gz YXPXQRIWLXKAGQ-APWZRJJASA-N 2 1 345.491 1.248 20 0 EDADMP C[NH+](C)CC1CN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000615505943 450118276 /nfs/dbraw/zinc/11/82/76/450118276.db2.gz MSLFEDDQZXKDBD-LJQANCHMSA-N 2 1 329.488 1.961 20 0 EDADMP C[C@H]1C[NH+](Cc2ccc(C(=O)N3CC(C[NH+](C)C)C3)cc2)C[C@H](C)O1 ZINC000615513529 450120724 /nfs/dbraw/zinc/12/07/24/450120724.db2.gz TVECEDWXDPJXOY-HOTGVXAUSA-N 2 1 345.487 1.929 20 0 EDADMP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000618354538 450171031 /nfs/dbraw/zinc/17/10/31/450171031.db2.gz CGNZWWKRBZBCLH-ROUUACIJSA-N 2 1 331.460 1.092 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000618354538 450171034 /nfs/dbraw/zinc/17/10/34/450171034.db2.gz CGNZWWKRBZBCLH-ROUUACIJSA-N 2 1 331.460 1.092 20 0 EDADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000618354538 450171038 /nfs/dbraw/zinc/17/10/38/450171038.db2.gz CGNZWWKRBZBCLH-ROUUACIJSA-N 2 1 331.460 1.092 20 0 EDADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000618354538 450171042 /nfs/dbraw/zinc/17/10/42/450171042.db2.gz CGNZWWKRBZBCLH-ROUUACIJSA-N 2 1 331.460 1.092 20 0 EDADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000620724223 450534022 /nfs/dbraw/zinc/53/40/22/450534022.db2.gz YCUWTOLOMFXKAD-IBGZPJMESA-N 2 1 344.503 1.261 20 0 EDADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000620724223 450534023 /nfs/dbraw/zinc/53/40/23/450534023.db2.gz YCUWTOLOMFXKAD-IBGZPJMESA-N 2 1 344.503 1.261 20 0 EDADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000633041278 450639467 /nfs/dbraw/zinc/63/94/67/450639467.db2.gz VJNMHJQEAFBQCW-CMPLNLGQSA-N 2 1 338.839 1.288 20 0 EDADMP CC(C)(CN1CCOCC1)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000635133266 450677479 /nfs/dbraw/zinc/67/74/79/450677479.db2.gz MTMVJHIWQFTLPN-UHFFFAOYSA-N 2 1 346.475 1.084 20 0 EDADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000629524724 450724681 /nfs/dbraw/zinc/72/46/81/450724681.db2.gz UWZRYPYRACAGGC-ZDUSSCGKSA-N 2 1 341.477 1.095 20 0 EDADMP O[C@H](C[NH2+]CCOc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000629557864 450735287 /nfs/dbraw/zinc/73/52/87/450735287.db2.gz HEHBZQXKMPUCSM-CQSZACIVSA-N 2 1 343.265 1.874 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)C2([NH3+])CCCC2)c2cccs2)CC1 ZINC000621488006 450741668 /nfs/dbraw/zinc/74/16/68/450741668.db2.gz JWWJKQDIXMUHIC-CQSZACIVSA-N 2 1 336.505 1.424 20 0 EDADMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000629575122 450744104 /nfs/dbraw/zinc/74/41/04/450744104.db2.gz LJYANAFFHOGBJP-UHFFFAOYSA-N 2 1 333.476 1.375 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000629575122 450744110 /nfs/dbraw/zinc/74/41/10/450744110.db2.gz LJYANAFFHOGBJP-UHFFFAOYSA-N 2 1 333.476 1.375 20 0 EDADMP O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629579031 450745459 /nfs/dbraw/zinc/74/54/59/450745459.db2.gz YNZIKJULQCFERW-IAGOWNOFSA-N 2 1 332.448 1.339 20 0 EDADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629584243 450750206 /nfs/dbraw/zinc/75/02/06/450750206.db2.gz MZIFGWQTKSQSOF-WOJBJXKFSA-N 2 1 347.503 1.190 20 0 EDADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629584243 450750211 /nfs/dbraw/zinc/75/02/11/450750211.db2.gz MZIFGWQTKSQSOF-WOJBJXKFSA-N 3 1 347.503 1.190 20 0 EDADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629584243 450750215 /nfs/dbraw/zinc/75/02/15/450750215.db2.gz MZIFGWQTKSQSOF-WOJBJXKFSA-N 3 1 347.503 1.190 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631780212 450770314 /nfs/dbraw/zinc/77/03/14/450770314.db2.gz SDZGAKHSLPATRG-MRXNPFEDSA-N 2 1 339.505 1.173 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000631785514 450773870 /nfs/dbraw/zinc/77/38/70/450773870.db2.gz PGVWEHGPYHXODJ-XHSDSOJGSA-N 2 1 343.537 1.748 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000631785514 450773873 /nfs/dbraw/zinc/77/38/73/450773873.db2.gz PGVWEHGPYHXODJ-XHSDSOJGSA-N 2 1 343.537 1.748 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000635279336 450810085 /nfs/dbraw/zinc/81/00/85/450810085.db2.gz OSPKOGGZSBNTTO-QGZVFWFLSA-N 2 1 330.476 1.714 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)C[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000635279336 450810091 /nfs/dbraw/zinc/81/00/91/450810091.db2.gz OSPKOGGZSBNTTO-QGZVFWFLSA-N 2 1 330.476 1.714 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)C[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000635279336 450810097 /nfs/dbraw/zinc/81/00/97/450810097.db2.gz OSPKOGGZSBNTTO-QGZVFWFLSA-N 2 1 330.476 1.714 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841015 450810150 /nfs/dbraw/zinc/81/01/50/450810150.db2.gz HGPRQPWVMPAIQQ-JHJVBQTASA-N 2 1 325.403 1.539 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841015 450810156 /nfs/dbraw/zinc/81/01/56/450810156.db2.gz HGPRQPWVMPAIQQ-JHJVBQTASA-N 2 1 325.403 1.539 20 0 EDADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000635286080 450816932 /nfs/dbraw/zinc/81/69/32/450816932.db2.gz CEJLWIHHNKLLAY-KRWDZBQOSA-N 2 1 344.503 1.655 20 0 EDADMP C[NH+](C)CCC[N@H+](C)CCNc1nc2ccccc2n2cncc12 ZINC000624392634 450828464 /nfs/dbraw/zinc/82/84/64/450828464.db2.gz VWXAGEFDEDUECL-UHFFFAOYSA-N 2 1 326.448 2.178 20 0 EDADMP C[NH+](C)CCC[N@@H+](C)CCNc1nc2ccccc2n2cncc12 ZINC000624392634 450828471 /nfs/dbraw/zinc/82/84/71/450828471.db2.gz VWXAGEFDEDUECL-UHFFFAOYSA-N 2 1 326.448 2.178 20 0 EDADMP C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000631827114 450799203 /nfs/dbraw/zinc/79/92/03/450799203.db2.gz FRZYXNKYZYDXHY-NUJGCVRESA-N 2 1 345.487 1.940 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccnn1CC1CCC1 ZINC000633614589 450944308 /nfs/dbraw/zinc/94/43/08/450944308.db2.gz RQMYXJKHUYJXAZ-HNNXBMFYSA-N 2 1 335.496 1.685 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccnn1CC1CCC1 ZINC000633614589 450944314 /nfs/dbraw/zinc/94/43/14/450944314.db2.gz RQMYXJKHUYJXAZ-HNNXBMFYSA-N 2 1 335.496 1.685 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC000635550830 451046559 /nfs/dbraw/zinc/04/65/59/451046559.db2.gz JIFQCWRZXSSGSH-INIZCTEOSA-N 2 1 334.508 1.147 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC000635550830 451046563 /nfs/dbraw/zinc/04/65/63/451046563.db2.gz JIFQCWRZXSSGSH-INIZCTEOSA-N 2 1 334.508 1.147 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[NH2+]1 ZINC000626968805 451041580 /nfs/dbraw/zinc/04/15/80/451041580.db2.gz LIFBOHGBNLOBTG-BHIYHBOVSA-N 2 1 344.503 1.991 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000627005917 451070446 /nfs/dbraw/zinc/07/04/46/451070446.db2.gz NXGBGKPZIFUOPR-IRXDYDNUSA-N 2 1 334.464 1.309 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627037702 451095734 /nfs/dbraw/zinc/09/57/34/451095734.db2.gz BJIWKRFJBNFWBR-XQQFMLRXSA-N 2 1 338.418 1.884 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nn(C)c2ccccc21 ZINC000628050618 451105758 /nfs/dbraw/zinc/10/57/58/451105758.db2.gz IKDDTLKZPADBCP-AWEZNQCLSA-N 2 1 331.464 1.575 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nn(C)c2ccccc21 ZINC000628050618 451105760 /nfs/dbraw/zinc/10/57/60/451105760.db2.gz IKDDTLKZPADBCP-AWEZNQCLSA-N 2 1 331.464 1.575 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000627115425 451131328 /nfs/dbraw/zinc/13/13/28/451131328.db2.gz ASFXGKOEHHVMLO-AGIUHOORSA-N 2 1 336.402 1.639 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000627116808 451132308 /nfs/dbraw/zinc/13/23/08/451132308.db2.gz NNHUEBLNBMSIGR-SJORKVTESA-N 2 1 338.496 1.271 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000635667760 451152935 /nfs/dbraw/zinc/15/29/35/451152935.db2.gz OOQNZSUVUSPOGK-UHFFFAOYSA-N 2 1 346.519 1.303 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000635722682 451197948 /nfs/dbraw/zinc/19/79/48/451197948.db2.gz XASLEYKOZJRHBC-ARFHVFGLSA-N 2 1 334.464 1.717 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CCC3C[NH2+]C3)cc2)CC1 ZINC000638085168 451249214 /nfs/dbraw/zinc/24/92/14/451249214.db2.gz OOTZLEFWYVXHOG-UHFFFAOYSA-N 2 1 344.459 1.402 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000638101674 451266434 /nfs/dbraw/zinc/26/64/34/451266434.db2.gz QQOMGGHPPJHOMI-IBGZPJMESA-N 2 1 342.487 1.310 20 0 EDADMP COC[C@]1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638127093 451297067 /nfs/dbraw/zinc/29/70/67/451297067.db2.gz UNHBQLYZIQOGMF-ICSRJNTNSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638131531 451303723 /nfs/dbraw/zinc/30/37/23/451303723.db2.gz RHRQRWQKHPOONT-LPHOPBHVSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000638132850 451305533 /nfs/dbraw/zinc/30/55/33/451305533.db2.gz FSMKHJZWTSEEFM-CABCVRRESA-N 2 1 334.489 1.200 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)C[NH+](C)CCc2ccccc2)CCCO1 ZINC000635857607 451305715 /nfs/dbraw/zinc/30/57/15/451305715.db2.gz HLJUBNLFKZAQBW-SFHVURJKSA-N 2 1 347.503 1.778 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)C[N@H+](C)CCc2ccccc2)CCCO1 ZINC000635857607 451305721 /nfs/dbraw/zinc/30/57/21/451305721.db2.gz HLJUBNLFKZAQBW-SFHVURJKSA-N 2 1 347.503 1.778 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)C[N@@H+](C)CCc2ccccc2)CCCO1 ZINC000635857607 451305727 /nfs/dbraw/zinc/30/57/27/451305727.db2.gz HLJUBNLFKZAQBW-SFHVURJKSA-N 2 1 347.503 1.778 20 0 EDADMP CC[C@@H](NC(=O)CCC1C[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638136404 451308945 /nfs/dbraw/zinc/30/89/45/451308945.db2.gz ZEOWTKHCELSTJQ-RTBURBONSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@@H](NC(=O)CCC1C[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638136404 451308949 /nfs/dbraw/zinc/30/89/49/451308949.db2.gz ZEOWTKHCELSTJQ-RTBURBONSA-N 2 1 345.487 1.782 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000636588072 451328927 /nfs/dbraw/zinc/32/89/27/451328927.db2.gz RUTXKUKFGGAHRE-MSOLQXFVSA-N 2 1 346.475 1.017 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000636588072 451328931 /nfs/dbraw/zinc/32/89/31/451328931.db2.gz RUTXKUKFGGAHRE-MSOLQXFVSA-N 2 1 346.475 1.017 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000636588072 451328936 /nfs/dbraw/zinc/32/89/36/451328936.db2.gz RUTXKUKFGGAHRE-MSOLQXFVSA-N 2 1 346.475 1.017 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000636629141 451366586 /nfs/dbraw/zinc/36/65/86/451366586.db2.gz GQVUZUPOVNFAGE-XHSDSOJGSA-N 2 1 340.512 1.109 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000636629141 451366589 /nfs/dbraw/zinc/36/65/89/451366589.db2.gz GQVUZUPOVNFAGE-XHSDSOJGSA-N 2 1 340.512 1.109 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000636629141 451366592 /nfs/dbraw/zinc/36/65/92/451366592.db2.gz GQVUZUPOVNFAGE-XHSDSOJGSA-N 2 1 340.512 1.109 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000638232215 451371779 /nfs/dbraw/zinc/37/17/79/451371779.db2.gz FNSLGFQJJQCAEF-LJQANCHMSA-N 2 1 346.519 1.813 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000638232215 451371785 /nfs/dbraw/zinc/37/17/85/451371785.db2.gz FNSLGFQJJQCAEF-LJQANCHMSA-N 2 1 346.519 1.813 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533018 451384259 /nfs/dbraw/zinc/38/42/59/451384259.db2.gz ZNYHSSMWNSPUCR-IAGOWNOFSA-N 2 1 325.497 1.868 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000632574301 451415197 /nfs/dbraw/zinc/41/51/97/451415197.db2.gz FVCLWHYLXGVSRM-INIZCTEOSA-N 2 1 325.478 1.132 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000632574301 451415202 /nfs/dbraw/zinc/41/52/02/451415202.db2.gz FVCLWHYLXGVSRM-INIZCTEOSA-N 2 1 325.478 1.132 20 0 EDADMP C[C@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)[NH+](C)C ZINC000638356560 451457046 /nfs/dbraw/zinc/45/70/46/451457046.db2.gz RMCHOCVBNLSGJU-CYBMUJFWSA-N 2 1 333.480 1.533 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638369460 451467017 /nfs/dbraw/zinc/46/70/17/451467017.db2.gz RMUSKKACKRDVPH-DUPRYPCISA-N 2 1 345.487 1.767 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634703286 451479375 /nfs/dbraw/zinc/47/93/75/451479375.db2.gz TVDKEFRSAQWKAS-WOJBJXKFSA-N 2 1 347.503 1.324 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634703286 451479378 /nfs/dbraw/zinc/47/93/78/451479378.db2.gz TVDKEFRSAQWKAS-WOJBJXKFSA-N 2 1 347.503 1.324 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634703286 451479383 /nfs/dbraw/zinc/47/93/83/451479383.db2.gz TVDKEFRSAQWKAS-WOJBJXKFSA-N 2 1 347.503 1.324 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000638438141 451516857 /nfs/dbraw/zinc/51/68/57/451516857.db2.gz HFEVTQNQMOPASV-UHFFFAOYSA-N 2 1 345.487 1.904 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1coc(C(F)(F)F)n1 ZINC000636160812 451555101 /nfs/dbraw/zinc/55/51/01/451555101.db2.gz HPYNFZGEIKKXIR-JTQLQIEISA-N 2 1 336.358 1.695 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1coc(C(F)(F)F)n1 ZINC000636160812 451555104 /nfs/dbraw/zinc/55/51/04/451555104.db2.gz HPYNFZGEIKKXIR-JTQLQIEISA-N 2 1 336.358 1.695 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000629175369 451583185 /nfs/dbraw/zinc/58/31/85/451583185.db2.gz NFGYUBFDXBUNQB-QZTJIDSGSA-N 2 1 331.460 1.081 20 0 EDADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000629175369 451583190 /nfs/dbraw/zinc/58/31/90/451583190.db2.gz NFGYUBFDXBUNQB-QZTJIDSGSA-N 2 1 331.460 1.081 20 0 EDADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000629175369 451583195 /nfs/dbraw/zinc/58/31/95/451583195.db2.gz NFGYUBFDXBUNQB-QZTJIDSGSA-N 2 1 331.460 1.081 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000638572276 451583730 /nfs/dbraw/zinc/58/37/30/451583730.db2.gz ZZRNNDLVTYGXHZ-ZWKOTPCHSA-N 2 1 330.476 1.304 20 0 EDADMP [NH3+]CCCOCCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000638664240 451640066 /nfs/dbraw/zinc/64/00/66/451640066.db2.gz UKUWQHPUQDQYKP-UHFFFAOYSA-N 2 1 348.266 1.209 20 0 EDADMP O=C1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CCCN1 ZINC000638686425 451652883 /nfs/dbraw/zinc/65/28/83/451652883.db2.gz LMQSLTYCYDOQIU-KURKYZTESA-N 2 1 331.460 1.128 20 0 EDADMP O=C1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CCCN1 ZINC000638686425 451652888 /nfs/dbraw/zinc/65/28/88/451652888.db2.gz LMQSLTYCYDOQIU-KURKYZTESA-N 2 1 331.460 1.128 20 0 EDADMP COc1ccccc1OCCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640950150 451701204 /nfs/dbraw/zinc/70/12/04/451701204.db2.gz POGWHUSVHLWDBB-UHFFFAOYSA-N 2 1 345.447 1.331 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000638858236 451712744 /nfs/dbraw/zinc/71/27/44/451712744.db2.gz ZHIBOGBNEZHWJI-HYJFEMIMSA-N 2 1 345.487 1.638 20 0 EDADMP CCC1([NH+](C)C)CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000636448121 451713220 /nfs/dbraw/zinc/71/32/20/451713220.db2.gz WOLDVVZMMDIZRN-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000638977273 451744434 /nfs/dbraw/zinc/74/44/34/451744434.db2.gz QICXXBBXZZOSKN-LZQZEXGQSA-N 2 1 345.487 1.790 20 0 EDADMP [NH3+]C[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccc(F)cc1 ZINC000638983828 451745727 /nfs/dbraw/zinc/74/57/27/451745727.db2.gz HGZYMRAXTWUMNS-MRXNPFEDSA-N 2 1 343.406 1.311 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)Cn1cc(C[C@H]([NH3+])Cc2ccccc2)nn1 ZINC000641221921 451787823 /nfs/dbraw/zinc/78/78/23/451787823.db2.gz MBKRKPBNUPBHMJ-AEFFLSMTSA-N 2 1 331.464 1.092 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000642021600 451806229 /nfs/dbraw/zinc/80/62/29/451806229.db2.gz HPBGJCZULGNPJD-ZWKOTPCHSA-N 2 1 346.475 1.138 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000644523978 451840324 /nfs/dbraw/zinc/84/03/24/451840324.db2.gz FICYLERMDNXZQL-OKZBNKHCSA-N 2 1 347.459 1.601 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc(OCCN3CCOCC3)cc2)C[C@]1(C)CO ZINC000639331733 451830720 /nfs/dbraw/zinc/83/07/20/451830720.db2.gz YHPDHHLLFJZSIS-FXAWDEMLSA-N 2 1 348.487 1.848 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000649102982 451846534 /nfs/dbraw/zinc/84/65/34/451846534.db2.gz SLYWHUOLMVKKEU-UHOSZYNNSA-N 2 1 345.487 1.416 20 0 EDADMP CN1CCc2c(cccc2S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000641323797 451847317 /nfs/dbraw/zinc/84/73/17/451847317.db2.gz PBIHSXGRWXTMJS-AWEZNQCLSA-N 2 1 337.489 1.295 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)CC2)[nH+]c1 ZINC000646845236 451883083 /nfs/dbraw/zinc/88/30/83/451883083.db2.gz HKSOMWDVJUQBNT-GOEBONIOSA-N 2 1 332.448 1.181 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000639473204 451884397 /nfs/dbraw/zinc/88/43/97/451884397.db2.gz QUNHPYWVFBZCSZ-IXDOHACOSA-N 2 1 332.496 1.256 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000639473204 451884404 /nfs/dbraw/zinc/88/44/04/451884404.db2.gz QUNHPYWVFBZCSZ-IXDOHACOSA-N 2 1 332.496 1.256 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000644607355 451892174 /nfs/dbraw/zinc/89/21/74/451892174.db2.gz ILXROGOTEMYXFS-RBUKOAKNSA-N 2 1 340.471 1.743 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000644607355 451892179 /nfs/dbraw/zinc/89/21/79/451892179.db2.gz ILXROGOTEMYXFS-RBUKOAKNSA-N 2 1 340.471 1.743 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642750481 451949611 /nfs/dbraw/zinc/94/96/11/451949611.db2.gz BQOXPJVAXITQAZ-JKSUJKDBSA-N 2 1 338.496 1.016 20 0 EDADMP CC(=O)N1CC[C@H](C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639546092 451935950 /nfs/dbraw/zinc/93/59/50/451935950.db2.gz BSZSQKHVIBXWAP-UXHICEINSA-N 2 1 345.487 1.424 20 0 EDADMP CC(=O)N1CC[C@H](C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639546092 451935956 /nfs/dbraw/zinc/93/59/56/451935956.db2.gz BSZSQKHVIBXWAP-UXHICEINSA-N 2 1 345.487 1.424 20 0 EDADMP CC(=O)N1CC[C@H](C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639546092 451935961 /nfs/dbraw/zinc/93/59/61/451935961.db2.gz BSZSQKHVIBXWAP-UXHICEINSA-N 2 1 345.487 1.424 20 0 EDADMP CC(=O)N1CC[C@H](C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639546092 451935967 /nfs/dbraw/zinc/93/59/67/451935967.db2.gz BSZSQKHVIBXWAP-UXHICEINSA-N 2 1 345.487 1.424 20 0 EDADMP CC(=O)N1CC[C@H](C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639546092 451935971 /nfs/dbraw/zinc/93/59/71/451935971.db2.gz BSZSQKHVIBXWAP-UXHICEINSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)C[C@H](C)O1 ZINC000649288308 451963200 /nfs/dbraw/zinc/96/32/00/451963200.db2.gz JTLTVMPAFYGFNX-BUSDAAPNSA-N 2 1 343.471 1.377 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)cc2)CC1 ZINC000649308598 451986223 /nfs/dbraw/zinc/98/62/23/451986223.db2.gz PMGOPRFCPSZKGU-KRWDZBQOSA-N 2 1 344.459 1.530 20 0 EDADMP C[C@@H](C(=O)N1CCC(C)([NH3+])CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000646991994 451991990 /nfs/dbraw/zinc/99/19/90/451991990.db2.gz WALDNKYGITTXPV-HNNXBMFYSA-N 2 1 348.466 1.676 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@]2(C)CCC[NH2+]2)c1 ZINC000649318930 451997706 /nfs/dbraw/zinc/99/77/06/451997706.db2.gz WHAAJRTVSSYSKP-LJQANCHMSA-N 2 1 349.475 1.402 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649318902 451998347 /nfs/dbraw/zinc/99/83/47/451998347.db2.gz UOEWBVYUWDGXIH-GJZGRUSLSA-N 2 1 325.840 1.567 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649318902 451998354 /nfs/dbraw/zinc/99/83/54/451998354.db2.gz UOEWBVYUWDGXIH-GJZGRUSLSA-N 2 1 325.840 1.567 20 0 EDADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000647017367 452006603 /nfs/dbraw/zinc/00/66/03/452006603.db2.gz BPJWJUFLJKLYDQ-HOTGVXAUSA-N 2 1 338.496 1.097 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)oc1C ZINC000649331576 452013611 /nfs/dbraw/zinc/01/36/11/452013611.db2.gz CWQQJDSRJYHXRK-OAGGEKHMSA-N 2 1 332.448 1.370 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000649334909 452016668 /nfs/dbraw/zinc/01/66/68/452016668.db2.gz WCKQRQDQUYGPKP-INIZCTEOSA-N 2 1 325.497 1.773 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)[C@@H]1c1cccs1 ZINC000649340983 452020931 /nfs/dbraw/zinc/02/09/31/452020931.db2.gz FHXHIPYPGWFRTK-IJEWVQPXSA-N 2 1 337.489 1.483 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000644840644 452022912 /nfs/dbraw/zinc/02/29/12/452022912.db2.gz DFGVSFLCKJUJFI-INIZCTEOSA-N 2 1 340.489 1.494 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000644840644 452022914 /nfs/dbraw/zinc/02/29/14/452022914.db2.gz DFGVSFLCKJUJFI-INIZCTEOSA-N 2 1 340.489 1.494 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000647053941 452032279 /nfs/dbraw/zinc/03/22/79/452032279.db2.gz ZHOQVEYYNPKSJF-ITQYTPKQSA-N 2 1 343.471 1.887 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@H](c2ccccc2)C1 ZINC000649350610 452032719 /nfs/dbraw/zinc/03/27/19/452032719.db2.gz SBQHTKVZVQZBLF-YRXWBPOGSA-N 2 1 342.487 1.232 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@H](c2ccccc2)C1 ZINC000649350610 452032727 /nfs/dbraw/zinc/03/27/27/452032727.db2.gz SBQHTKVZVQZBLF-YRXWBPOGSA-N 2 1 342.487 1.232 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@H](c2ccccc2)C1 ZINC000649350610 452032736 /nfs/dbraw/zinc/03/27/36/452032736.db2.gz SBQHTKVZVQZBLF-YRXWBPOGSA-N 2 1 342.487 1.232 20 0 EDADMP CCCN(C(=O)C(=O)NCc1cc(C)nc(C)c1)[C@H]1CC[N@@H+](C)C1 ZINC000647082057 452049946 /nfs/dbraw/zinc/04/99/46/452049946.db2.gz FZNJGBWYDMPEIR-INIZCTEOSA-N 2 1 332.448 1.257 20 0 EDADMP CCCN(C(=O)C(=O)NCc1cc(C)nc(C)c1)[C@H]1CCN(C)C1 ZINC000647082057 452049951 /nfs/dbraw/zinc/04/99/51/452049951.db2.gz FZNJGBWYDMPEIR-INIZCTEOSA-N 2 1 332.448 1.257 20 0 EDADMP [NH3+]C1(CNC(=O)C[C@@H]2CC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000647090631 452055487 /nfs/dbraw/zinc/05/54/87/452055487.db2.gz GJXHZMYNGPOJEQ-KRWDZBQOSA-N 2 1 330.476 1.096 20 0 EDADMP COCC[N@H+](C)C[C@H](O)CN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000653679359 452073756 /nfs/dbraw/zinc/07/37/56/452073756.db2.gz ZSYIQHKBAWDIHJ-PKOBYXMFSA-N 2 1 334.460 1.395 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000653679359 452073764 /nfs/dbraw/zinc/07/37/64/452073764.db2.gz ZSYIQHKBAWDIHJ-PKOBYXMFSA-N 2 1 334.460 1.395 20 0 EDADMP CC[C@H]1C[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@H]1[NH3+] ZINC000649416862 452080245 /nfs/dbraw/zinc/08/02/45/452080245.db2.gz OEBDWBZOHFEYEV-DLBZAZTESA-N 2 1 345.491 1.180 20 0 EDADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000649420406 452081724 /nfs/dbraw/zinc/08/17/24/452081724.db2.gz HNBJHLURRDTRMM-WMLDXEAASA-N 2 1 343.431 1.850 20 0 EDADMP Cc1ncsc1CC[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000649420732 452083258 /nfs/dbraw/zinc/08/32/58/452083258.db2.gz DWNBEQWZBNVTKQ-HUUCEWRRSA-N 2 1 349.504 1.214 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)CC1=O ZINC000647152921 452093925 /nfs/dbraw/zinc/09/39/25/452093925.db2.gz PEBLNYDAXIYFBY-MJBXVCDLSA-N 2 1 333.436 1.294 20 0 EDADMP CCN(CCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)CC(F)(F)F ZINC000639766350 452108369 /nfs/dbraw/zinc/10/83/69/452108369.db2.gz MZUDAGQJPQWKJU-CQSZACIVSA-N 2 1 325.419 1.649 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000639766411 452108893 /nfs/dbraw/zinc/10/88/93/452108893.db2.gz OCRSFKGHJBLWLW-LJQANCHMSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000639766411 452108900 /nfs/dbraw/zinc/10/89/00/452108900.db2.gz OCRSFKGHJBLWLW-LJQANCHMSA-N 2 1 331.460 1.354 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000637861025 452119559 /nfs/dbraw/zinc/11/95/59/452119559.db2.gz QXQVTQCAUPTJFP-BEFAXECRSA-N 2 1 340.471 1.782 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)cc1 ZINC000637861025 452119560 /nfs/dbraw/zinc/11/95/60/452119560.db2.gz QXQVTQCAUPTJFP-BEFAXECRSA-N 2 1 340.471 1.782 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000647522566 452257385 /nfs/dbraw/zinc/25/73/85/452257385.db2.gz ODWKXIISKLCQNL-UXHICEINSA-N 2 1 328.456 1.673 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000647522566 452257395 /nfs/dbraw/zinc/25/73/95/452257395.db2.gz ODWKXIISKLCQNL-UXHICEINSA-N 2 1 328.456 1.673 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000641803245 452279960 /nfs/dbraw/zinc/27/99/60/452279960.db2.gz RQMDEDRJBJUWIU-IAGOWNOFSA-N 2 1 330.476 1.046 20 0 EDADMP Cc1cc(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)n(-c2ccc(F)cc2)n1 ZINC000641804952 452283411 /nfs/dbraw/zinc/28/34/11/452283411.db2.gz MHPSCBVVKZZHCN-LSDHHAIUSA-N 2 1 345.422 1.974 20 0 EDADMP Cc1cc(C)cc(OCCN(C)C(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641809284 452288040 /nfs/dbraw/zinc/28/80/40/452288040.db2.gz VROBZKWLAHPBTF-IAGOWNOFSA-N 2 1 333.476 1.856 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641808133 452289346 /nfs/dbraw/zinc/28/93/46/452289346.db2.gz SRQOVNUVAKBMSJ-MWDDYTRKSA-N 2 1 349.475 1.985 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(Oc3ccccc3F)CC2)CC1 ZINC000639981454 452313530 /nfs/dbraw/zinc/31/35/30/452313530.db2.gz XLRDMACTGZNAGC-UHFFFAOYSA-N 2 1 349.450 1.833 20 0 EDADMP [NH3+]CC1(CCNC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000652127964 452324548 /nfs/dbraw/zinc/32/45/48/452324548.db2.gz KIPSLMJOGKSJOE-UHFFFAOYSA-N 2 1 330.476 1.863 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638060838 452351280 /nfs/dbraw/zinc/35/12/80/452351280.db2.gz SJSNXHIWAYGXEX-IBGZPJMESA-N 2 1 346.519 1.682 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638060838 452351290 /nfs/dbraw/zinc/35/12/90/452351290.db2.gz SJSNXHIWAYGXEX-IBGZPJMESA-N 2 1 346.519 1.682 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC[NH2+]C2CC2)C1 ZINC000659511677 452375939 /nfs/dbraw/zinc/37/59/39/452375939.db2.gz ZHUNDTUQEDBLBC-GOSISDBHSA-N 2 1 330.476 1.697 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)N[C@H]1CC[NH2+]C1 ZINC000659517161 452381044 /nfs/dbraw/zinc/38/10/44/452381044.db2.gz XWKWYXFDDLGELX-MSOLQXFVSA-N 2 1 342.487 1.950 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000663644711 452388206 /nfs/dbraw/zinc/38/82/06/452388206.db2.gz ZSOXJXQTFXSYLC-WBVHZDCISA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659537676 452397417 /nfs/dbraw/zinc/39/74/17/452397417.db2.gz MNCLXDCUVQVIOW-AEFFLSMTSA-N 2 1 347.507 1.100 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659537676 452397428 /nfs/dbraw/zinc/39/74/28/452397428.db2.gz MNCLXDCUVQVIOW-AEFFLSMTSA-N 2 1 347.507 1.100 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652204174 452401900 /nfs/dbraw/zinc/40/19/00/452401900.db2.gz IPKGMYDTMSMRGX-ZWKOTPCHSA-N 2 1 330.476 1.554 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652204174 452401907 /nfs/dbraw/zinc/40/19/07/452401907.db2.gz IPKGMYDTMSMRGX-ZWKOTPCHSA-N 2 1 330.476 1.554 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC[NH2+]1 ZINC000659545327 452402919 /nfs/dbraw/zinc/40/29/19/452402919.db2.gz ZSKNWVIVWVHUHV-JLSDUUJJSA-N 2 1 346.475 1.193 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000663682063 452418707 /nfs/dbraw/zinc/41/87/07/452418707.db2.gz KUFASVUDCMWTET-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654382487 452435031 /nfs/dbraw/zinc/43/50/31/452435031.db2.gz XHLZDAXMFDFHJA-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654382487 452435040 /nfs/dbraw/zinc/43/50/40/452435040.db2.gz XHLZDAXMFDFHJA-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654382487 452435049 /nfs/dbraw/zinc/43/50/49/452435049.db2.gz XHLZDAXMFDFHJA-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652318946 452491462 /nfs/dbraw/zinc/49/14/62/452491462.db2.gz HFLURJAZQPRQLU-UHFFFAOYSA-N 2 1 339.528 1.091 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)NCc3ccccc3)C2)C1 ZINC000652345765 452519952 /nfs/dbraw/zinc/51/99/52/452519952.db2.gz LICKTRQPJHHPNU-KZNAEPCWSA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)N[C@H]1CCOc3ccccc31)C2 ZINC000652350799 452524980 /nfs/dbraw/zinc/52/49/80/452524980.db2.gz JYNBWWYMPKCQMD-QOKNQOGYSA-N 2 1 329.444 1.687 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)N[C@H]1CCOc3ccccc31)C2 ZINC000652350799 452524984 /nfs/dbraw/zinc/52/49/84/452524984.db2.gz JYNBWWYMPKCQMD-QOKNQOGYSA-N 2 1 329.444 1.687 20 0 EDADMP CNC(=O)c1cccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655714978 452531932 /nfs/dbraw/zinc/53/19/32/452531932.db2.gz FWGHSNALJUDCHB-IBGZPJMESA-N 2 1 345.487 1.822 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)N2CCc3ccccc32)C1 ZINC000652360295 452541668 /nfs/dbraw/zinc/54/16/68/452541668.db2.gz DUHONTFYACXLOH-BHIYHBOVSA-N 2 1 343.471 1.937 20 0 EDADMP C[C@@H](Cn1cncn1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000657817433 452549826 /nfs/dbraw/zinc/54/98/26/452549826.db2.gz OGYMPYLJIAWYMG-GJZGRUSLSA-N 2 1 334.493 1.306 20 0 EDADMP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835402 452574098 /nfs/dbraw/zinc/57/40/98/452574098.db2.gz XENGCVVVXRGNHX-AWEZNQCLSA-N 2 1 338.883 1.182 20 0 EDADMP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835402 452574105 /nfs/dbraw/zinc/57/41/05/452574105.db2.gz XENGCVVVXRGNHX-AWEZNQCLSA-N 2 1 338.883 1.182 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1C ZINC000661983253 452735801 /nfs/dbraw/zinc/73/58/01/452735801.db2.gz UAYIWFSLPUHNON-YQQAZPJKSA-N 2 1 338.496 1.364 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1C ZINC000661983251 452736560 /nfs/dbraw/zinc/73/65/60/452736560.db2.gz UAYIWFSLPUHNON-HLLBOEOZSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655958514 452738488 /nfs/dbraw/zinc/73/84/88/452738488.db2.gz LXQGPQFEKYYGHN-IAOVAPTHSA-N 2 1 344.459 1.778 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658143629 452750583 /nfs/dbraw/zinc/75/05/83/452750583.db2.gz BOBPTOLHRGHKNC-YZGWKJHDSA-N 2 1 348.487 1.655 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[NH+](CCCC(=O)NCC(C)C)CC1 ZINC000659877352 452752874 /nfs/dbraw/zinc/75/28/74/452752874.db2.gz DRSOVZCFSNSISK-UHFFFAOYSA-N 2 1 340.512 1.025 20 0 EDADMP [NH3+]CCCOC1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655973863 452756062 /nfs/dbraw/zinc/75/60/62/452756062.db2.gz JSZOTWSJCVIHJB-IAGOWNOFSA-N 2 1 338.496 1.543 20 0 EDADMP CC(C)Nc1nc(NC[C@H]2CC[N@@H+]2C(C)(C)C)nc(NCCO)[nH+]1 ZINC000664141947 452818070 /nfs/dbraw/zinc/81/80/70/452818070.db2.gz DPZRJNNMCXXMSI-GFCCVEGCSA-N 2 1 337.472 1.381 20 0 EDADMP CC(C)Nc1nc(NC[C@H]2CC[N@H+]2C(C)(C)C)nc(NCCO)[nH+]1 ZINC000664141947 452818074 /nfs/dbraw/zinc/81/80/74/452818074.db2.gz DPZRJNNMCXXMSI-GFCCVEGCSA-N 2 1 337.472 1.381 20 0 EDADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@]1(O)CCCOC1 ZINC000658317576 452844303 /nfs/dbraw/zinc/84/43/03/452844303.db2.gz SCMNRWZEZMVFAS-SJLPKXTDSA-N 2 1 326.481 1.397 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000650583198 452857202 /nfs/dbraw/zinc/85/72/02/452857202.db2.gz VMQOSXHEXHBHNV-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CC1(OCC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C[NH2+]C1 ZINC000648152094 452864108 /nfs/dbraw/zinc/86/41/08/452864108.db2.gz PUTGKOFZGMXXMV-UHFFFAOYSA-N 2 1 345.487 1.532 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)[C@H]3CCC[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000648161614 452872227 /nfs/dbraw/zinc/87/22/27/452872227.db2.gz PJBLRLMJZZBYEO-KURKYZTESA-N 2 1 329.444 1.841 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)[C@H]3CCC[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000648161614 452872234 /nfs/dbraw/zinc/87/22/34/452872234.db2.gz PJBLRLMJZZBYEO-KURKYZTESA-N 2 1 329.444 1.841 20 0 EDADMP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000648167874 452877991 /nfs/dbraw/zinc/87/79/91/452877991.db2.gz BNPQUJZYBCEEKD-QEJZJMRPSA-N 2 1 327.419 1.707 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)CCC[N@H+]1C ZINC000648175926 452887258 /nfs/dbraw/zinc/88/72/58/452887258.db2.gz FWWCKXYNDXYESN-HDMKZQKVSA-N 2 1 333.480 1.451 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000660054988 452970038 /nfs/dbraw/zinc/97/00/38/452970038.db2.gz ATICNMTYTHWXFV-CALCHBBNSA-N 2 1 338.540 1.354 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000662243515 452970576 /nfs/dbraw/zinc/97/05/76/452970576.db2.gz MLRWTSIRUNYKCS-LBPRGKRZSA-N 2 1 343.443 1.844 20 0 EDADMP CCOc1ccccc1N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662258137 452984184 /nfs/dbraw/zinc/98/41/84/452984184.db2.gz ILYIKPHGAFWCJH-MRXNPFEDSA-N 2 1 331.460 1.728 20 0 EDADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000662256195 452985288 /nfs/dbraw/zinc/98/52/88/452985288.db2.gz UDGOIXSYTGGZEA-IAGOWNOFSA-N 2 1 329.444 1.635 20 0 EDADMP OCC[N@@H+](CCOCC(F)(F)F)Cc1cccc2c1CC[NH2+]C2 ZINC000662258968 452987594 /nfs/dbraw/zinc/98/75/94/452987594.db2.gz ZIEQGLNLTPDGBU-UHFFFAOYSA-N 2 1 332.366 1.706 20 0 EDADMP CCc1nsc(N2CCC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662262025 452994077 /nfs/dbraw/zinc/99/40/77/452994077.db2.gz CTUUEOGOTWDFFB-CYBMUJFWSA-N 2 1 337.493 1.134 20 0 EDADMP COc1ccnc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1OC ZINC000662285123 453009043 /nfs/dbraw/zinc/00/90/43/453009043.db2.gz XIIFKXFLUIZKNB-YSVLISHTSA-N 2 1 335.448 1.960 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)c1ccsc1 ZINC000666627436 453020514 /nfs/dbraw/zinc/02/05/14/453020514.db2.gz PPEHSXJFJDAUSC-OAHLLOKOSA-N 2 1 346.456 1.564 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)COCc2ccco2)CCO1 ZINC000662318781 453036382 /nfs/dbraw/zinc/03/63/82/453036382.db2.gz GJRHWFRHEXRJHQ-JKSUJKDBSA-N 2 1 326.437 1.200 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)COCc2ccco2)CCO1 ZINC000662318781 453036388 /nfs/dbraw/zinc/03/63/88/453036388.db2.gz GJRHWFRHEXRJHQ-JKSUJKDBSA-N 2 1 326.437 1.200 20 0 EDADMP CC(C)(C)n1nnc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000660116134 453041906 /nfs/dbraw/zinc/04/19/06/453041906.db2.gz VOQHAPCJLZDYSH-GDBMZVCRSA-N 2 1 332.496 1.919 20 0 EDADMP CC(C)(C)n1nnc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000660116134 453041916 /nfs/dbraw/zinc/04/19/16/453041916.db2.gz VOQHAPCJLZDYSH-GDBMZVCRSA-N 2 1 332.496 1.919 20 0 EDADMP CC(C)(C)n1nnc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000660116134 453041922 /nfs/dbraw/zinc/04/19/22/453041922.db2.gz VOQHAPCJLZDYSH-GDBMZVCRSA-N 2 1 332.496 1.919 20 0 EDADMP CC(C)(C)n1nnc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000660116134 453041930 /nfs/dbraw/zinc/04/19/30/453041930.db2.gz VOQHAPCJLZDYSH-GDBMZVCRSA-N 2 1 332.496 1.919 20 0 EDADMP c1cnn(CC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662327322 453046948 /nfs/dbraw/zinc/04/69/48/453046948.db2.gz NGBNTWJNJGZESR-UHFFFAOYSA-N 2 1 328.464 1.953 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662351053 453067099 /nfs/dbraw/zinc/06/70/99/453067099.db2.gz IJJJCLSYWUSPTB-CQSZACIVSA-N 2 1 334.468 1.197 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cccc3c2C[NH2+]C3)C[C@H](C)O1 ZINC000662364176 453073914 /nfs/dbraw/zinc/07/39/14/453073914.db2.gz FRDHGQNYICPAGQ-KBPBESRZSA-N 2 1 331.460 1.907 20 0 EDADMP C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065420 453076750 /nfs/dbraw/zinc/07/67/50/453076750.db2.gz DHWRWTMGKTUBSY-UAGQMJEPSA-N 2 1 331.460 1.390 20 0 EDADMP C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065420 453076754 /nfs/dbraw/zinc/07/67/54/453076754.db2.gz DHWRWTMGKTUBSY-UAGQMJEPSA-N 2 1 331.460 1.390 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000666754340 453117731 /nfs/dbraw/zinc/11/77/31/453117731.db2.gz LGFXKKNLJZYARJ-DLBZAZTESA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000666754809 453120576 /nfs/dbraw/zinc/12/05/76/453120576.db2.gz UTCMKXGAKOLWOI-ULQDDVLXSA-N 2 1 340.512 1.203 20 0 EDADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccccc1 ZINC000646121921 453136243 /nfs/dbraw/zinc/13/62/43/453136243.db2.gz YVODURIATVXGEN-RTBURBONSA-N 2 1 344.503 1.576 20 0 EDADMP [NH3+]CCOCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000646140210 453147978 /nfs/dbraw/zinc/14/79/78/453147978.db2.gz ALFOEYCEDQCWAY-IBGZPJMESA-N 2 1 331.460 1.476 20 0 EDADMP [NH3+][C@H](c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)[C@H]1CCCO1 ZINC000656455286 453196219 /nfs/dbraw/zinc/19/62/19/453196219.db2.gz BRBVPBNINIYBKN-KBAYOESNSA-N 2 1 327.432 1.904 20 0 EDADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000646189609 453202090 /nfs/dbraw/zinc/20/20/90/453202090.db2.gz XOXXQYHBMMCELL-SJLPKXTDSA-N 2 1 328.460 1.738 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC[C@H]21 ZINC000662502069 453217594 /nfs/dbraw/zinc/21/75/94/453217594.db2.gz HNQBXEDNMNJQNG-GDBMZVCRSA-N 2 1 332.448 1.698 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[N@@H+]1C ZINC000648744578 453229625 /nfs/dbraw/zinc/22/96/25/453229625.db2.gz GUZIGXMBAQAISS-CRAIPNDOSA-N 2 1 331.460 1.840 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[N@H+]1C ZINC000648744578 453229632 /nfs/dbraw/zinc/22/96/32/453229632.db2.gz GUZIGXMBAQAISS-CRAIPNDOSA-N 2 1 331.460 1.840 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000655121726 453239272 /nfs/dbraw/zinc/23/92/72/453239272.db2.gz PBKNXDYJDIXEIE-OALUTQOASA-N 2 1 345.487 1.472 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655121726 453239277 /nfs/dbraw/zinc/23/92/77/453239277.db2.gz PBKNXDYJDIXEIE-OALUTQOASA-N 2 1 345.487 1.472 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655121726 453239284 /nfs/dbraw/zinc/23/92/84/453239284.db2.gz PBKNXDYJDIXEIE-OALUTQOASA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1Br)C1CC1 ZINC000662526555 453246336 /nfs/dbraw/zinc/24/63/36/453246336.db2.gz HJRHMYCJXKAWQL-KBPBESRZSA-N 2 1 340.265 1.905 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000662529613 453251087 /nfs/dbraw/zinc/25/10/87/453251087.db2.gz DNRNCYWKFSDNSJ-YESZJQIVSA-N 2 1 325.497 1.757 20 0 EDADMP C[C@H](CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[NH+](C)C ZINC000666950625 453275074 /nfs/dbraw/zinc/27/50/74/453275074.db2.gz ZEPRUHHFEFKAHM-BZUAXINKSA-N 2 1 338.496 1.269 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666977517 453296450 /nfs/dbraw/zinc/29/64/50/453296450.db2.gz BSIRAUCCFTUCLB-IAGOWNOFSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[N@@H+](C)Cc1ccccc1 ZINC000653124169 453317735 /nfs/dbraw/zinc/31/77/35/453317735.db2.gz SFWKHWWGZIIRIN-AYBZRNKSSA-N 2 1 331.460 1.249 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000651193073 453343952 /nfs/dbraw/zinc/34/39/52/453343952.db2.gz KINQODXTGQYTJG-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000653169456 453362044 /nfs/dbraw/zinc/36/20/44/453362044.db2.gz AQARVPIXICELID-RMXPPQQLSA-N 2 1 328.460 1.776 20 0 EDADMP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000653169456 453362051 /nfs/dbraw/zinc/36/20/51/453362051.db2.gz AQARVPIXICELID-RMXPPQQLSA-N 2 1 328.460 1.776 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccnc(C[NH3+])c2)C1 ZINC000662659099 453371429 /nfs/dbraw/zinc/37/14/29/453371429.db2.gz OQYTWPVBRBVDSE-LJQANCHMSA-N 2 1 338.455 1.929 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000662659580 453374145 /nfs/dbraw/zinc/37/41/45/453374145.db2.gz SQLUQMAKQFZFKM-ZWKOTPCHSA-N 2 1 347.528 1.857 20 0 EDADMP C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[N@H+]1CCCC[C@H]1C ZINC000662679163 453398569 /nfs/dbraw/zinc/39/85/69/453398569.db2.gz KYUOSQYRQTWGBC-PMPSAXMXSA-N 2 1 348.495 1.585 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000662690486 453409812 /nfs/dbraw/zinc/40/98/12/453409812.db2.gz ABKDQXWSTJMUFI-KSZLIROESA-N 2 1 331.460 1.379 20 0 EDADMP O=C([C@H]1CCC[NH+](Cc2ccccc2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298320 453419859 /nfs/dbraw/zinc/41/98/59/453419859.db2.gz FEWGLELDEUINJZ-GBESFXJTSA-N 2 1 343.471 1.176 20 0 EDADMP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655298320 453419867 /nfs/dbraw/zinc/41/98/67/453419867.db2.gz FEWGLELDEUINJZ-GBESFXJTSA-N 2 1 343.471 1.176 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655298320 453419879 /nfs/dbraw/zinc/41/98/79/453419879.db2.gz FEWGLELDEUINJZ-GBESFXJTSA-N 2 1 343.471 1.176 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C)[NH+]1CCOCC1 ZINC000646482098 453426559 /nfs/dbraw/zinc/42/65/59/453426559.db2.gz RRBMPXWFUNUEFP-USXIJHARSA-N 2 1 325.497 1.674 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000667170104 453450600 /nfs/dbraw/zinc/45/06/00/453450600.db2.gz OHDRUAKYWBQUKK-HNNXBMFYSA-N 2 1 332.448 1.287 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000667170104 453450611 /nfs/dbraw/zinc/45/06/11/453450611.db2.gz OHDRUAKYWBQUKK-HNNXBMFYSA-N 2 1 332.448 1.287 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cccc2c1CC[NH2+]C2 ZINC000662731354 453457219 /nfs/dbraw/zinc/45/72/19/453457219.db2.gz CTZZFYLRUZGGNK-MOPGFXCFSA-N 2 1 343.471 1.706 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000664898438 453470474 /nfs/dbraw/zinc/47/04/74/453470474.db2.gz ZUVXYZXCIQGSKQ-FUHWJXTLSA-N 2 1 332.492 1.895 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662758518 453496741 /nfs/dbraw/zinc/49/67/41/453496741.db2.gz SIWYPTLQJORMOC-SJLPKXTDSA-N 2 1 344.503 1.701 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3[NH2+]CCC3(C)C)cc2)CC1 ZINC000662758907 453497235 /nfs/dbraw/zinc/49/72/35/453497235.db2.gz VCZTUMBUOPPLSF-KRWDZBQOSA-N 2 1 330.476 1.761 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662791381 453525526 /nfs/dbraw/zinc/52/55/26/453525526.db2.gz LMMIXQHPUMICIM-GJZGRUSLSA-N 2 1 336.484 1.443 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)CC3([NH3+])CC3)CC[N@H+]2C2CC2)c1 ZINC000662800084 453534603 /nfs/dbraw/zinc/53/46/03/453534603.db2.gz YGSHIQMJZIRAGN-SJLPKXTDSA-N 2 1 329.444 1.971 20 0 EDADMP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662832736 453559909 /nfs/dbraw/zinc/55/99/09/453559909.db2.gz KPNTWFBDEFXHDB-NRWUCQMLSA-N 2 1 337.386 1.142 20 0 EDADMP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662832736 453559911 /nfs/dbraw/zinc/55/99/11/453559911.db2.gz KPNTWFBDEFXHDB-NRWUCQMLSA-N 2 1 337.386 1.142 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000667328040 453560326 /nfs/dbraw/zinc/56/03/26/453560326.db2.gz CJQZUNYTJXFTPY-CEXWTWQISA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000667328040 453560330 /nfs/dbraw/zinc/56/03/30/453560330.db2.gz CJQZUNYTJXFTPY-CEXWTWQISA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000667328040 453560334 /nfs/dbraw/zinc/56/03/34/453560334.db2.gz CJQZUNYTJXFTPY-CEXWTWQISA-N 2 1 342.487 1.997 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1(n2cccn2)CC[NH2+]CC1 ZINC000662836739 453562286 /nfs/dbraw/zinc/56/22/86/453562286.db2.gz DBPIFIYQSZGYEJ-CVEARBPZSA-N 2 1 331.464 1.095 20 0 EDADMP CC(C)CNC(=O)CCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000660761429 453564845 /nfs/dbraw/zinc/56/48/45/453564845.db2.gz YPXIQKUPBXMFDG-UHFFFAOYSA-N 2 1 325.497 1.365 20 0 EDADMP CC[C@@]1(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CCC[NH2+]1 ZINC000662857895 453573320 /nfs/dbraw/zinc/57/33/20/453573320.db2.gz CRNDLRSCVHZTQU-HKUYNNGSSA-N 2 1 331.460 1.402 20 0 EDADMP CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899407 453593315 /nfs/dbraw/zinc/59/33/15/453593315.db2.gz CMXJCDHRUXURKO-SJORKVTESA-N 2 1 334.508 1.003 20 0 EDADMP CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899407 453593319 /nfs/dbraw/zinc/59/33/19/453593319.db2.gz CMXJCDHRUXURKO-SJORKVTESA-N 2 1 334.508 1.003 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1C ZINC000660856847 453614468 /nfs/dbraw/zinc/61/44/68/453614468.db2.gz YEIFALQIVHUOJO-CQSZACIVSA-N 2 1 348.495 1.692 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)n1C ZINC000660856847 453614474 /nfs/dbraw/zinc/61/44/74/453614474.db2.gz YEIFALQIVHUOJO-CQSZACIVSA-N 2 1 348.495 1.692 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659089490 453624861 /nfs/dbraw/zinc/62/48/61/453624861.db2.gz CSNJYSAARQJVAU-KGLIPLIRSA-N 2 1 346.475 1.881 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000665282889 453634389 /nfs/dbraw/zinc/63/43/89/453634389.db2.gz DLBAFDJXNSBASN-RNQOJCNYSA-N 2 1 346.519 1.145 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000665282889 453634390 /nfs/dbraw/zinc/63/43/90/453634390.db2.gz DLBAFDJXNSBASN-RNQOJCNYSA-N 2 1 346.519 1.145 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000663002420 453642888 /nfs/dbraw/zinc/64/28/88/453642888.db2.gz FPERRMXTQXWFAB-HUUCEWRRSA-N 2 1 331.464 1.338 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000659112878 453643814 /nfs/dbraw/zinc/64/38/14/453643814.db2.gz SOLSKUPYNUQVMD-KBPBESRZSA-N 2 1 346.475 1.709 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000659114270 453645270 /nfs/dbraw/zinc/64/52/70/453645270.db2.gz MLIVSUJLGUAMQF-GJZGRUSLSA-N 2 1 346.475 1.581 20 0 EDADMP [NH3+]C[C@@H](NC(=O)c1sc2c(c1Br)C[NH2+]C2)C1CC1 ZINC000659291262 453704353 /nfs/dbraw/zinc/70/43/53/453704353.db2.gz RKYOSRWYNBOGIW-MRVPVSSYSA-N 2 1 330.251 1.581 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](CO)Cc2ccccc2)CC1 ZINC000661098087 453713950 /nfs/dbraw/zinc/71/39/50/453713950.db2.gz NEENDSZIGLZZRL-SFHVURJKSA-N 2 1 333.476 1.122 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](CO)Cc2ccccc2)CC1 ZINC000661098087 453713953 /nfs/dbraw/zinc/71/39/53/453713953.db2.gz NEENDSZIGLZZRL-SFHVURJKSA-N 2 1 333.476 1.122 20 0 EDADMP CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665553875 453745399 /nfs/dbraw/zinc/74/53/99/453745399.db2.gz BGELFZNNZJUOOS-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665553875 453745402 /nfs/dbraw/zinc/74/54/02/453745402.db2.gz BGELFZNNZJUOOS-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665553875 453745405 /nfs/dbraw/zinc/74/54/05/453745405.db2.gz BGELFZNNZJUOOS-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP [NH3+]C[C@H]1OCC[C@H]1c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000663250051 453746729 /nfs/dbraw/zinc/74/67/29/453746729.db2.gz AOQXGDSQTYUJAS-HZPDHXFCSA-N 2 1 344.415 1.400 20 0 EDADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CO1 ZINC000657310226 453764134 /nfs/dbraw/zinc/76/41/34/453764134.db2.gz ATWPBXWTEJCRHD-ZWKOTPCHSA-N 2 1 331.460 1.731 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000665640003 453778817 /nfs/dbraw/zinc/77/88/17/453778817.db2.gz LJTCPWBRRDRCLK-GJZGRUSLSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000665640003 453778819 /nfs/dbraw/zinc/77/88/19/453778819.db2.gz LJTCPWBRRDRCLK-GJZGRUSLSA-N 2 1 328.501 1.467 20 0 EDADMP C[NH+](C)CCCNC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663408675 453791434 /nfs/dbraw/zinc/79/14/34/453791434.db2.gz GKGIXCKXRUKWQG-GOSISDBHSA-N 2 1 347.507 1.054 20 0 EDADMP C[NH+](C)CCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663408675 453791436 /nfs/dbraw/zinc/79/14/36/453791436.db2.gz GKGIXCKXRUKWQG-GOSISDBHSA-N 2 1 347.507 1.054 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000683260334 486670114 /nfs/dbraw/zinc/67/01/14/486670114.db2.gz LARWOKWCWJPHEO-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000683260334 486670117 /nfs/dbraw/zinc/67/01/17/486670117.db2.gz LARWOKWCWJPHEO-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP Cc1ccncc1[C@@H](C)[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000679942397 486678412 /nfs/dbraw/zinc/67/84/12/486678412.db2.gz NHDAMZJPFKHIKS-SJORKVTESA-N 2 1 348.491 1.514 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000676245708 486705600 /nfs/dbraw/zinc/70/56/00/486705600.db2.gz PHAGYBKQLDNHHN-UGUYLWEFSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000676245708 486705602 /nfs/dbraw/zinc/70/56/02/486705602.db2.gz PHAGYBKQLDNHHN-UGUYLWEFSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000676245708 486705606 /nfs/dbraw/zinc/70/56/06/486705606.db2.gz PHAGYBKQLDNHHN-UGUYLWEFSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676245708 486705609 /nfs/dbraw/zinc/70/56/09/486705609.db2.gz PHAGYBKQLDNHHN-UGUYLWEFSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676245708 486705611 /nfs/dbraw/zinc/70/56/11/486705611.db2.gz PHAGYBKQLDNHHN-UGUYLWEFSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676308519 486730150 /nfs/dbraw/zinc/73/01/50/486730150.db2.gz XGZPZFVLTWEOCJ-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676308519 486730152 /nfs/dbraw/zinc/73/01/52/486730152.db2.gz XGZPZFVLTWEOCJ-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000667559462 486845588 /nfs/dbraw/zinc/84/55/88/486845588.db2.gz NJGQTPTWPANJMU-CQSZACIVSA-N 2 1 346.475 1.853 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000683987375 486898678 /nfs/dbraw/zinc/89/86/78/486898678.db2.gz FQWLUSPTBBWSMY-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000683987375 486898682 /nfs/dbraw/zinc/89/86/82/486898682.db2.gz FQWLUSPTBBWSMY-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP O=C(NCc1c[nH+]c2n1CCCC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000673082804 486903028 /nfs/dbraw/zinc/90/30/28/486903028.db2.gz AWOUFNNQJKVJCJ-OAHLLOKOSA-N 2 1 331.464 1.989 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@H+]([C@H]3CC(=O)N(c4ccccc4)C3=O)C2)CC1 ZINC000677296888 487036380 /nfs/dbraw/zinc/03/63/80/487036380.db2.gz VJAHMHNFEQXFTK-AEFFLSMTSA-N 2 1 341.455 1.982 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000673706340 487096872 /nfs/dbraw/zinc/09/68/72/487096872.db2.gz IKWXKHNHZGROSL-ROUUACIJSA-N 2 1 334.508 1.844 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000673706340 487096878 /nfs/dbraw/zinc/09/68/78/487096878.db2.gz IKWXKHNHZGROSL-ROUUACIJSA-N 2 1 334.508 1.844 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000673706340 487096884 /nfs/dbraw/zinc/09/68/84/487096884.db2.gz IKWXKHNHZGROSL-ROUUACIJSA-N 2 1 334.508 1.844 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668162746 487126499 /nfs/dbraw/zinc/12/64/99/487126499.db2.gz GYDAFFOBEHDHQU-HXUWFJFHSA-N 2 1 347.503 1.924 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCO[C@@H]3C3CC3)C2)CC1 ZINC000677653223 487141721 /nfs/dbraw/zinc/14/17/21/487141721.db2.gz BKOSFOQQEQITHX-USXIJHARSA-N 2 1 336.480 1.022 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CCO[C@@H]3C3CC3)C2)CC1 ZINC000677653223 487141724 /nfs/dbraw/zinc/14/17/24/487141724.db2.gz BKOSFOQQEQITHX-USXIJHARSA-N 2 1 336.480 1.022 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CC1(C)C ZINC000685042563 487220115 /nfs/dbraw/zinc/22/01/15/487220115.db2.gz DLAVAUPXIZSBOK-UHFFFAOYSA-N 2 1 344.503 1.694 20 0 EDADMP Cc1ncc2n1CC[C@H](C(=O)N1CCC[N@@H+](C[C@@H]3CCCO3)CC1)C2 ZINC000685602760 487301393 /nfs/dbraw/zinc/30/13/93/487301393.db2.gz RXRCYXPUDPKJOK-WMZOPIPTSA-N 2 1 346.475 1.467 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC[N@@H+](C[C@@H]3CCCO3)CC1)C2 ZINC000685602760 487301399 /nfs/dbraw/zinc/30/13/99/487301399.db2.gz RXRCYXPUDPKJOK-WMZOPIPTSA-N 2 1 346.475 1.467 20 0 EDADMP CC(C)c1cnc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000675233564 487392011 /nfs/dbraw/zinc/39/20/11/487392011.db2.gz WUDXNMLTVZPZIW-GJZGRUSLSA-N 2 1 334.464 1.925 20 0 EDADMP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000682591569 487393288 /nfs/dbraw/zinc/39/32/88/487393288.db2.gz ZSOMHDKYGGIXOP-QGZVFWFLSA-N 2 1 346.475 1.677 20 0 EDADMP CC(=O)N1CCN(Cc2ccc(NC(=O)[C@H](C)N(C)C)cc2)CC1 ZINC000679116292 487393752 /nfs/dbraw/zinc/39/37/52/487393752.db2.gz WMIJFWGEQIHCTB-AWEZNQCLSA-N 2 1 332.448 1.239 20 0 EDADMP Cc1ccnc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000683016197 487442299 /nfs/dbraw/zinc/44/22/99/487442299.db2.gz VYSGYOOLHHQGBQ-UHFFFAOYSA-N 2 1 330.476 1.766 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@]12CCCO2 ZINC000679722152 487461592 /nfs/dbraw/zinc/46/15/92/487461592.db2.gz WMAJMUKRAXUQHC-OKYOBFRVSA-N 2 1 338.492 1.946 20 0 EDADMP Cn1nnnc1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000679721788 487461602 /nfs/dbraw/zinc/46/16/02/487461602.db2.gz RRPRHYCPKCDFMI-KZNAEPCWSA-N 2 1 340.475 1.643 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000669534041 485511813 /nfs/dbraw/zinc/51/18/13/485511813.db2.gz CPLQLFQIOBYOLK-VQHPVUNQSA-N 2 1 338.496 1.399 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000669534042 485512279 /nfs/dbraw/zinc/51/22/79/485512279.db2.gz CPLQLFQIOBYOLK-YYIAUSFCSA-N 2 1 338.496 1.399 20 0 EDADMP O=C(NCC[NH2+]C1CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000669570466 485589435 /nfs/dbraw/zinc/58/94/35/485589435.db2.gz WBWMXVUSRLMYRD-GOSISDBHSA-N 2 1 346.475 1.329 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669573736 485605805 /nfs/dbraw/zinc/60/58/05/485605805.db2.gz CHSIWPFSBGATFR-ZWKOTPCHSA-N 2 1 330.476 1.950 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669573791 485606126 /nfs/dbraw/zinc/60/61/26/485606126.db2.gz YINQGPPANHOHOM-OTWHNJEPSA-N 2 1 342.487 1.902 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000668347782 485615020 /nfs/dbraw/zinc/61/50/20/485615020.db2.gz DWBJQWVEZMYCSA-DLBZAZTESA-N 2 1 346.475 1.006 20 0 EDADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(-n2cnnn2)c1 ZINC000669618878 485826370 /nfs/dbraw/zinc/82/63/70/485826370.db2.gz XYVHAISPKKIZKE-OAHLLOKOSA-N 2 1 343.479 1.339 20 0 EDADMP COc1cccc2c1CCC[C@@H]2[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000194882423 485827680 /nfs/dbraw/zinc/82/76/80/485827680.db2.gz UDHRIAKHHNUCTE-KRWDZBQOSA-N 2 1 331.460 1.826 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000669389605 486026119 /nfs/dbraw/zinc/02/61/19/486026119.db2.gz FXISAHABNQWLJA-KGLIPLIRSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000669389605 486026125 /nfs/dbraw/zinc/02/61/25/486026125.db2.gz FXISAHABNQWLJA-KGLIPLIRSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000669420171 486138902 /nfs/dbraw/zinc/13/89/02/486138902.db2.gz COEOTGWHLIUWIM-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@H]1CCCC[NH2+]1 ZINC000669459257 486213294 /nfs/dbraw/zinc/21/32/94/486213294.db2.gz ZZLWYBPJCJEATM-RTBURBONSA-N 2 1 344.503 1.992 20 0 EDADMP COCC[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451532236 486289830 /nfs/dbraw/zinc/28/98/30/486289830.db2.gz KMUNBNDMLFQBEV-FUHWJXTLSA-N 2 1 325.497 1.678 20 0 EDADMP COCC[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451532236 486289833 /nfs/dbraw/zinc/28/98/33/486289833.db2.gz KMUNBNDMLFQBEV-FUHWJXTLSA-N 2 1 325.497 1.678 20 0 EDADMP COCC[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451532236 486289835 /nfs/dbraw/zinc/28/98/35/486289835.db2.gz KMUNBNDMLFQBEV-FUHWJXTLSA-N 2 1 325.497 1.678 20 0 EDADMP COCC[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451532236 486289839 /nfs/dbraw/zinc/28/98/39/486289839.db2.gz KMUNBNDMLFQBEV-FUHWJXTLSA-N 2 1 325.497 1.678 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCO[C@H](c3ccccc3)C2)CC1 ZINC000669928653 486515244 /nfs/dbraw/zinc/51/52/44/486515244.db2.gz BAHSYVBTOWFJCA-SFHVURJKSA-N 2 1 331.460 1.614 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCO[C@H](c3ccccc3)C2)CC1 ZINC000669928653 486515248 /nfs/dbraw/zinc/51/52/48/486515248.db2.gz BAHSYVBTOWFJCA-SFHVURJKSA-N 2 1 331.460 1.614 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261712595 486646994 /nfs/dbraw/zinc/64/69/94/486646994.db2.gz JGOUUWHWPZURQG-XMTFNYHQSA-N 2 1 336.524 1.378 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638369582 491020736 /nfs/dbraw/zinc/02/07/36/491020736.db2.gz DEFFBAIGWJXVLH-HUUCEWRRSA-N 2 1 339.505 1.792 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000530354876 518030846 /nfs/dbraw/zinc/03/08/46/518030846.db2.gz XLZBTMBDAUCMPV-ZDUSSCGKSA-N 2 1 344.415 1.756 20 0 EDADMP CC(=O)NCC[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000347666051 534448290 /nfs/dbraw/zinc/44/82/90/534448290.db2.gz GGNXHHUTLVMJGI-IBGZPJMESA-N 2 1 338.540 1.641 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000186968974 528369160 /nfs/dbraw/zinc/36/91/60/528369160.db2.gz UTGDWXHNDQVPOI-HNNXBMFYSA-N 2 1 336.480 1.700 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000186968974 528369168 /nfs/dbraw/zinc/36/91/68/528369168.db2.gz UTGDWXHNDQVPOI-HNNXBMFYSA-N 2 1 336.480 1.700 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000152890921 528996252 /nfs/dbraw/zinc/99/62/52/528996252.db2.gz NMWVIWXIZQNSCO-UHFFFAOYSA-N 2 1 340.512 1.347 20 0 EDADMP CC(C)(CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[N@H+]1CCc2ccccc2C1 ZINC000261640707 535135605 /nfs/dbraw/zinc/13/56/05/535135605.db2.gz DKGQGWQDBOGNSK-SJORKVTESA-N 2 1 331.460 1.446 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000332273384 535144351 /nfs/dbraw/zinc/14/43/51/535144351.db2.gz FXAACNQWJUMCJE-UHFFFAOYSA-N 2 1 333.480 1.626 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346885057 535209538 /nfs/dbraw/zinc/20/95/38/535209538.db2.gz YAYAASHMIVHHPH-BHIYHBOVSA-N 2 1 345.487 1.732 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346885057 535209541 /nfs/dbraw/zinc/20/95/41/535209541.db2.gz YAYAASHMIVHHPH-BHIYHBOVSA-N 2 1 345.487 1.732 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346885057 535209544 /nfs/dbraw/zinc/20/95/44/535209544.db2.gz YAYAASHMIVHHPH-BHIYHBOVSA-N 2 1 345.487 1.732 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346885057 535209548 /nfs/dbraw/zinc/20/95/48/535209548.db2.gz YAYAASHMIVHHPH-BHIYHBOVSA-N 2 1 345.487 1.732 20 0 EDADMP CCCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH2+]CC1 ZINC000236818214 535232177 /nfs/dbraw/zinc/23/21/77/535232177.db2.gz QKAAKIIWEVSWCJ-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP CCCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH2+]CC1 ZINC000236818214 535232179 /nfs/dbraw/zinc/23/21/79/535232179.db2.gz QKAAKIIWEVSWCJ-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000352567825 535265716 /nfs/dbraw/zinc/26/57/16/535265716.db2.gz PUKAGGXWZQUVHJ-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC[N@H+]2CCCC[C@@H]2CC)C1(C)C ZINC000249060898 535440749 /nfs/dbraw/zinc/44/07/49/535440749.db2.gz GRAKBOJCDHXIBK-HDMKZQKVSA-N 2 1 325.497 1.900 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[NH+](CCCCCn2cc(C)cn2)CC1 ZINC000347962825 535490795 /nfs/dbraw/zinc/49/07/95/535490795.db2.gz AUENMPYHIFQTFV-UHFFFAOYSA-N 2 1 349.523 1.848 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000339946986 535587685 /nfs/dbraw/zinc/58/76/85/535587685.db2.gz SCZSJRDUTYEWRD-DLBZAZTESA-N 2 1 341.544 1.288 20 0 EDADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC000073404323 535606046 /nfs/dbraw/zinc/60/60/46/535606046.db2.gz KABZDBFKYDGYBZ-SFHVURJKSA-N 2 1 333.476 1.865 20 0 EDADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC000073404323 535606050 /nfs/dbraw/zinc/60/60/50/535606050.db2.gz KABZDBFKYDGYBZ-SFHVURJKSA-N 2 1 333.476 1.865 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC000262547152 535610740 /nfs/dbraw/zinc/61/07/40/535610740.db2.gz OEPQZKXCFBPKJP-SFHVURJKSA-N 2 1 343.475 1.839 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248826373 535627860 /nfs/dbraw/zinc/62/78/60/535627860.db2.gz LZLYBDYCLGYMLG-SJLPKXTDSA-N 2 1 330.476 1.854 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248826373 535627866 /nfs/dbraw/zinc/62/78/66/535627866.db2.gz LZLYBDYCLGYMLG-SJLPKXTDSA-N 2 1 330.476 1.854 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NC1CC[NH+](CCOC)CC1)c1ccccc1 ZINC000264028485 535759820 /nfs/dbraw/zinc/75/98/20/535759820.db2.gz LUICNWQTRMTWTR-GOSISDBHSA-N 2 1 333.476 1.906 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261660026 535877006 /nfs/dbraw/zinc/87/70/06/535877006.db2.gz BDBZMIGTFMMSEE-YOEHRIQHSA-N 2 1 334.464 1.626 20 0 EDADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261970305 535917027 /nfs/dbraw/zinc/91/70/27/535917027.db2.gz QLVKGRQAXWOMOT-OTWHNJEPSA-N 3 1 347.503 1.874 20 0 EDADMP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000353393113 535952040 /nfs/dbraw/zinc/95/20/40/535952040.db2.gz FUXMHTYBZXVRGT-RDJZCZTQSA-N 2 1 334.439 1.964 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000236930870 535954793 /nfs/dbraw/zinc/95/47/93/535954793.db2.gz WHWURVPJTNNJPL-KSSFIOAISA-N 2 1 346.475 1.315 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)cn1 ZINC000346285822 536054562 /nfs/dbraw/zinc/05/45/62/536054562.db2.gz NMRBVBUGWULMLW-DLBZAZTESA-N 2 1 333.480 1.455 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)cn1 ZINC000346285822 536054566 /nfs/dbraw/zinc/05/45/66/536054566.db2.gz NMRBVBUGWULMLW-DLBZAZTESA-N 2 1 333.480 1.455 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000272069006 536332840 /nfs/dbraw/zinc/33/28/40/536332840.db2.gz JEKIDBBRXBPBCJ-UHFFFAOYSA-N 2 1 343.475 1.607 20 0 EDADMP C[N@@H+]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c2ccccc2C1 ZINC000262721908 536407346 /nfs/dbraw/zinc/40/73/46/536407346.db2.gz FXCROWLWICAFQS-INIZCTEOSA-N 2 1 339.443 1.900 20 0 EDADMP C[N@H+]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c2ccccc2C1 ZINC000262721908 536407348 /nfs/dbraw/zinc/40/73/48/536407348.db2.gz FXCROWLWICAFQS-INIZCTEOSA-N 2 1 339.443 1.900 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1([NH3+])CCOCC1 ZINC000261880084 536433222 /nfs/dbraw/zinc/43/32/22/536433222.db2.gz PCMATPFXMKTWHK-KRWDZBQOSA-N 2 1 331.460 1.475 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000262889536 536566669 /nfs/dbraw/zinc/56/66/69/536566669.db2.gz OLSCHVJJASQJHH-DAYGRLMNSA-N 2 1 349.475 1.276 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@]3(C)CC[NH2+]C3)C2)cc(OC)c1 ZINC000237307203 536768401 /nfs/dbraw/zinc/76/84/01/536768401.db2.gz WVKDJLUOCZQYOE-KXBFYZLASA-N 2 1 347.459 1.394 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@]3(C)CC[NH2+]C3)C2)cc(OC)c1 ZINC000237307203 536768407 /nfs/dbraw/zinc/76/84/07/536768407.db2.gz WVKDJLUOCZQYOE-KXBFYZLASA-N 2 1 347.459 1.394 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)[NH+](C)C1 ZINC000348027832 536774563 /nfs/dbraw/zinc/77/45/63/536774563.db2.gz JYPUEHWHMBYMMP-XHSDSOJGSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[N@H+](C)C1 ZINC000348027832 536774568 /nfs/dbraw/zinc/77/45/68/536774568.db2.gz JYPUEHWHMBYMMP-XHSDSOJGSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[N@@H+](C)C1 ZINC000348027832 536774574 /nfs/dbraw/zinc/77/45/74/536774574.db2.gz JYPUEHWHMBYMMP-XHSDSOJGSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C)[N@@H+](C)C1 ZINC000346533525 536777903 /nfs/dbraw/zinc/77/79/03/536777903.db2.gz NQDGOJSYJSVPTI-OWCLPIDISA-N 2 1 328.501 1.323 20 0 EDADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000742959098 579466213 /nfs/dbraw/zinc/46/62/13/579466213.db2.gz MSJACQMSLKVTCY-GOSISDBHSA-N 2 1 345.487 1.832 20 0 EDADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000742959098 579466215 /nfs/dbraw/zinc/46/62/15/579466215.db2.gz MSJACQMSLKVTCY-GOSISDBHSA-N 2 1 345.487 1.832 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)NC1CC[NH+](CCCOC)CC1 ZINC000726908375 578491656 /nfs/dbraw/zinc/49/16/56/578491656.db2.gz YFPCBCAHNONPBW-INIZCTEOSA-N 2 1 342.553 1.436 20 0 EDADMP C[NH+](C)CC1CC[NH+](C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000727931724 578541248 /nfs/dbraw/zinc/54/12/48/578541248.db2.gz PXLWVMKXZPOYRF-QGZVFWFLSA-N 2 1 340.489 1.397 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@@H](n2ccnc2)C1 ZINC000729620404 578585252 /nfs/dbraw/zinc/58/52/52/578585252.db2.gz XWDKJTWMEGLICI-OWCLPIDISA-N 2 1 333.436 1.093 20 0 EDADMP C[N@@H+](CCNC(=S)NCCCN1CCOCC1)C1CCCC1 ZINC000729644585 578586154 /nfs/dbraw/zinc/58/61/54/578586154.db2.gz GYOLRZCLXGXUTQ-UHFFFAOYSA-N 2 1 328.526 1.047 20 0 EDADMP C[N@H+](CCNC(=S)NCCC[NH+]1CCOCC1)C1CCCC1 ZINC000729644585 578586156 /nfs/dbraw/zinc/58/61/56/578586156.db2.gz GYOLRZCLXGXUTQ-UHFFFAOYSA-N 2 1 328.526 1.047 20 0 EDADMP C[N@@H+](CCNC(=S)NCCC[NH+]1CCOCC1)C1CCCC1 ZINC000729644585 578586158 /nfs/dbraw/zinc/58/61/58/578586158.db2.gz GYOLRZCLXGXUTQ-UHFFFAOYSA-N 2 1 328.526 1.047 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2ccc(O)cc2)CC1 ZINC000729926903 578597856 /nfs/dbraw/zinc/59/78/56/578597856.db2.gz SOHFLYJCTZIMED-CQSZACIVSA-N 2 1 335.448 1.355 20 0 EDADMP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000733165263 578745608 /nfs/dbraw/zinc/74/56/08/578745608.db2.gz AKEVUKFOWXRXKB-ZWKOTPCHSA-N 2 1 332.492 1.996 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734275679 578804301 /nfs/dbraw/zinc/80/43/01/578804301.db2.gz AZJCVMGQTTWGEF-NVXWUHKLSA-N 2 1 340.512 1.659 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=S)N1CCC([N@@H+](C)CCCO)CC1 ZINC000734309681 578806224 /nfs/dbraw/zinc/80/62/24/578806224.db2.gz PUHBGXPMUDQBAS-UHFFFAOYSA-N 2 1 344.569 1.227 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000734859391 578841266 /nfs/dbraw/zinc/84/12/66/578841266.db2.gz XOXZJZDMEUYXBO-HNNXBMFYSA-N 2 1 326.485 1.269 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000734859391 578841267 /nfs/dbraw/zinc/84/12/67/578841267.db2.gz XOXZJZDMEUYXBO-HNNXBMFYSA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@@H](O)C[C@@H]3C)cc2)CC1 ZINC000761113492 580048578 /nfs/dbraw/zinc/04/85/78/580048578.db2.gz PJBQIMHFPUAASX-YJBOKZPZSA-N 2 1 346.475 1.222 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3C[C@@H](O)C[C@@H]3C)cc2)CC1 ZINC000761113492 580048579 /nfs/dbraw/zinc/04/85/79/580048579.db2.gz PJBQIMHFPUAASX-YJBOKZPZSA-N 2 1 346.475 1.222 20 0 EDADMP CC(C)[NH+](CCCNC(=S)NCCC[NH+]1CCOCC1)C(C)C ZINC000746391559 579591396 /nfs/dbraw/zinc/59/13/96/579591396.db2.gz CASVXQISANGEJK-UHFFFAOYSA-N 2 1 344.569 1.682 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCSC1=O ZINC000750734715 579779045 /nfs/dbraw/zinc/77/90/45/579779045.db2.gz MDQMNHYMULXWMX-CQSZACIVSA-N 2 1 342.509 1.030 20 0 EDADMP CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000758244905 579978245 /nfs/dbraw/zinc/97/82/45/579978245.db2.gz XXTIRLVNLOBUFO-DNVCBOLYSA-N 2 1 348.491 1.718 20 0 EDADMP COc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1Cn1cccn1 ZINC000762785986 580083081 /nfs/dbraw/zinc/08/30/81/580083081.db2.gz JHLIZVCSURFUEW-HNAYVOBHSA-N 2 1 344.459 1.657 20 0 EDADMP COc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1Cn1cccn1 ZINC000762785986 580083082 /nfs/dbraw/zinc/08/30/82/580083082.db2.gz JHLIZVCSURFUEW-HNAYVOBHSA-N 2 1 344.459 1.657 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCCC2)[C@H](C)C1 ZINC000764605164 580124523 /nfs/dbraw/zinc/12/45/23/580124523.db2.gz DYFPNGYEKHOPKS-IAGOWNOFSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000770430841 580260284 /nfs/dbraw/zinc/26/02/84/580260284.db2.gz DJAKHKJZJIUKOP-SJORKVTESA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H]1CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC12CCC2 ZINC000770669251 580267203 /nfs/dbraw/zinc/26/72/03/580267203.db2.gz CDVGCAZYOYRQRD-AWEZNQCLSA-N 2 1 334.464 1.472 20 0 EDADMP C[C@H]1CC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC12CCC2 ZINC000770669251 580267204 /nfs/dbraw/zinc/26/72/04/580267204.db2.gz CDVGCAZYOYRQRD-AWEZNQCLSA-N 2 1 334.464 1.472 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000773196810 580330210 /nfs/dbraw/zinc/33/02/10/580330210.db2.gz FQEAFKRGAGAPBN-SJLPKXTDSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000773196810 580330211 /nfs/dbraw/zinc/33/02/11/580330211.db2.gz FQEAFKRGAGAPBN-SJLPKXTDSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1CCC[NH+]1CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000773196810 580330212 /nfs/dbraw/zinc/33/02/12/580330212.db2.gz FQEAFKRGAGAPBN-SJLPKXTDSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1CCC[NH+]1CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000773196810 580330213 /nfs/dbraw/zinc/33/02/13/580330213.db2.gz FQEAFKRGAGAPBN-SJLPKXTDSA-N 2 1 331.460 1.488 20 0 EDADMP O=CN1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000774197784 580356487 /nfs/dbraw/zinc/35/64/87/580356487.db2.gz KSHWWBHLOOBWOK-HKUYNNGSSA-N 2 1 331.460 1.080 20 0 EDADMP O=CN1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000774197784 580356488 /nfs/dbraw/zinc/35/64/88/580356488.db2.gz KSHWWBHLOOBWOK-HKUYNNGSSA-N 2 1 331.460 1.080 20 0 EDADMP CN(CC[N@@H+](C)Cc1ccc(OCC(N)=O)cc1)C1CC[NH+](C)CC1 ZINC000774731005 580372364 /nfs/dbraw/zinc/37/23/64/580372364.db2.gz RRYNRJCMBHQPBP-UHFFFAOYSA-N 2 1 348.491 1.009 20 0 EDADMP C[C@H](CCO)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000779390073 580484832 /nfs/dbraw/zinc/48/48/32/580484832.db2.gz FDOPPGREHSNNCO-OAHLLOKOSA-N 2 1 335.448 1.208 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2cccc3c2OCCO3)C1 ZINC000779650294 580492797 /nfs/dbraw/zinc/49/27/97/580492797.db2.gz MKPVDMHPXWTZRM-HNNXBMFYSA-N 2 1 335.404 1.565 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cccc3c2OCCO3)C1 ZINC000779650294 580492798 /nfs/dbraw/zinc/49/27/98/580492798.db2.gz MKPVDMHPXWTZRM-HNNXBMFYSA-N 2 1 335.404 1.565 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2cccc(C(=O)N(C)C)c2)C1 ZINC000779652250 580493069 /nfs/dbraw/zinc/49/30/69/580493069.db2.gz GOOLSHDQWWKBMK-MRXNPFEDSA-N 2 1 348.447 1.496 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cccc(C(=O)N(C)C)c2)C1 ZINC000779652250 580493070 /nfs/dbraw/zinc/49/30/70/580493070.db2.gz GOOLSHDQWWKBMK-MRXNPFEDSA-N 2 1 348.447 1.496 20 0 EDADMP Cc1cc(C)cc(NC(=O)CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000779655314 580493550 /nfs/dbraw/zinc/49/35/50/580493550.db2.gz TVHLCWRXCPEQFJ-INIZCTEOSA-N 2 1 348.447 1.850 20 0 EDADMP Cc1cc(C)cc(NC(=O)CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000779655314 580493551 /nfs/dbraw/zinc/49/35/51/580493551.db2.gz TVHLCWRXCPEQFJ-INIZCTEOSA-N 2 1 348.447 1.850 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000781861581 580558928 /nfs/dbraw/zinc/55/89/28/580558928.db2.gz MKLSZQSVPIUZAR-INIZCTEOSA-N 2 1 327.513 1.802 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000781861581 580558929 /nfs/dbraw/zinc/55/89/29/580558929.db2.gz MKLSZQSVPIUZAR-INIZCTEOSA-N 2 1 327.513 1.802 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000781861581 580558930 /nfs/dbraw/zinc/55/89/30/580558930.db2.gz MKLSZQSVPIUZAR-INIZCTEOSA-N 2 1 327.513 1.802 20 0 EDADMP COC(=O)[C@]1(NCC[NH+]2CCCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000782495179 580576218 /nfs/dbraw/zinc/57/62/18/580576218.db2.gz WSNIOHXKJHKDBL-FQEVSTJZSA-N 2 1 345.487 1.880 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000788771796 580729483 /nfs/dbraw/zinc/72/94/83/580729483.db2.gz RWPQJLGDRYRKQV-GOSISDBHSA-N 2 1 343.471 1.835 20 0 EDADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1(C)C ZINC000799726975 581035471 /nfs/dbraw/zinc/03/54/71/581035471.db2.gz UEXRPERYAWXXAI-ILXRZTDVSA-N 2 1 329.579 1.982 20 0 EDADMP COCCOC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000893046948 590635012 /nfs/dbraw/zinc/63/50/12/590635012.db2.gz ISSYLKPXUKTBLR-WDSOQIARSA-N 2 1 336.476 1.511 20 0 EDADMP COCCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000893046948 590635015 /nfs/dbraw/zinc/63/50/15/590635015.db2.gz ISSYLKPXUKTBLR-WDSOQIARSA-N 2 1 336.476 1.511 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000891818801 590636103 /nfs/dbraw/zinc/63/61/03/590636103.db2.gz YKDYNLDMGKOEEK-KBAYOESNSA-N 2 1 330.476 1.934 20 0 EDADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891854048 590656724 /nfs/dbraw/zinc/65/67/24/590656724.db2.gz ACRMUGXRVQYKHV-ULQDDVLXSA-N 2 1 346.500 1.360 20 0 EDADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891854048 590656730 /nfs/dbraw/zinc/65/67/30/590656730.db2.gz ACRMUGXRVQYKHV-ULQDDVLXSA-N 2 1 346.500 1.360 20 0 EDADMP C[C@H](CNC(=O)N1CCC([NH2+]C2CCC2)CC1)C[NH+]1CCOCC1 ZINC000893111870 590667456 /nfs/dbraw/zinc/66/74/56/590667456.db2.gz JQGDOXRZIJBUIP-OAHLLOKOSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@]12CN(C(=O)NC[C@H]3CCC[NH2+]3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000892000135 590737131 /nfs/dbraw/zinc/73/71/31/590737131.db2.gz QKASKKLKJGKLSD-NLWGTHIKSA-N 2 1 342.487 1.902 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000892254799 590888920 /nfs/dbraw/zinc/88/89/20/590888920.db2.gz VINRHDYAHXNYKP-AWEZNQCLSA-N 2 1 342.447 1.859 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000892254799 590888923 /nfs/dbraw/zinc/88/89/23/590888923.db2.gz VINRHDYAHXNYKP-AWEZNQCLSA-N 2 1 342.447 1.859 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000892286368 590914836 /nfs/dbraw/zinc/91/48/36/590914836.db2.gz KBWYBWDGBXNMMH-CNMWIUBYSA-N 2 1 336.524 1.946 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000892286368 590914838 /nfs/dbraw/zinc/91/48/38/590914838.db2.gz KBWYBWDGBXNMMH-CNMWIUBYSA-N 2 1 336.524 1.946 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000892286368 590914843 /nfs/dbraw/zinc/91/48/43/590914843.db2.gz KBWYBWDGBXNMMH-CNMWIUBYSA-N 2 1 336.524 1.946 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892388510 591005829 /nfs/dbraw/zinc/00/58/29/591005829.db2.gz XDGHQGQAIUTTSY-GJZGRUSLSA-N 2 1 340.512 1.251 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000893620508 591013363 /nfs/dbraw/zinc/01/33/63/591013363.db2.gz CRUFBLRRRHHULD-OQIJWPOYSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000893620508 591013367 /nfs/dbraw/zinc/01/33/67/591013367.db2.gz CRUFBLRRRHHULD-OQIJWPOYSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000893620508 591013371 /nfs/dbraw/zinc/01/33/71/591013371.db2.gz CRUFBLRRRHHULD-OQIJWPOYSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000893699215 591051898 /nfs/dbraw/zinc/05/18/98/591051898.db2.gz IFPVOMDFXBCIIU-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000893699215 591051902 /nfs/dbraw/zinc/05/19/02/591051902.db2.gz IFPVOMDFXBCIIU-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000892535356 591063718 /nfs/dbraw/zinc/06/37/18/591063718.db2.gz DHHCNZOYWXLUHM-SJLPKXTDSA-N 2 1 346.475 1.186 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000892535356 591063723 /nfs/dbraw/zinc/06/37/23/591063723.db2.gz DHHCNZOYWXLUHM-SJLPKXTDSA-N 2 1 346.475 1.186 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000892592287 591085058 /nfs/dbraw/zinc/08/50/58/591085058.db2.gz JJQNOTWOSPMKKL-KFESYUHLSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000892592287 591085063 /nfs/dbraw/zinc/08/50/63/591085063.db2.gz JJQNOTWOSPMKKL-KFESYUHLSA-N 2 1 338.496 1.268 20 0 EDADMP CCN(C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000891509336 591099216 /nfs/dbraw/zinc/09/92/16/591099216.db2.gz SXXSFPSTPPUOQM-OALUTQOASA-N 2 1 344.503 1.944 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000891536058 591111681 /nfs/dbraw/zinc/11/16/81/591111681.db2.gz CBOZETMPDVYEGN-MSOLQXFVSA-N 2 1 348.491 1.357 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[NH2+]CCC34CCC4)C2)CC1 ZINC000891559622 591126577 /nfs/dbraw/zinc/12/65/77/591126577.db2.gz GIOMHMDXFBSDPZ-MRXNPFEDSA-N 3 1 349.523 1.083 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CC[NH2+]CCC34CCC4)C2)CC1 ZINC000891559622 591126579 /nfs/dbraw/zinc/12/65/79/591126579.db2.gz GIOMHMDXFBSDPZ-MRXNPFEDSA-N 2 1 349.523 1.083 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000893915303 591136448 /nfs/dbraw/zinc/13/64/48/591136448.db2.gz XICMNPANTIPOFX-OAHLLOKOSA-N 2 1 349.479 1.163 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000891590887 591138185 /nfs/dbraw/zinc/13/81/85/591138185.db2.gz FCCFTIZQWMIRNC-DZJNRPSUSA-N 2 1 346.475 1.312 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000891590887 591138189 /nfs/dbraw/zinc/13/81/89/591138189.db2.gz FCCFTIZQWMIRNC-DZJNRPSUSA-N 2 1 346.475 1.312 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[NH+](C)C2)C1 ZINC000891597006 591141709 /nfs/dbraw/zinc/14/17/09/591141709.db2.gz DBKUTAZYMAYSCZ-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)C1 ZINC000891597006 591141710 /nfs/dbraw/zinc/14/17/10/591141710.db2.gz DBKUTAZYMAYSCZ-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000891597006 591141713 /nfs/dbraw/zinc/14/17/13/591141713.db2.gz DBKUTAZYMAYSCZ-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000891598409 591143088 /nfs/dbraw/zinc/14/30/88/591143088.db2.gz SQWIKUODNSPKAN-MRXNPFEDSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000891598409 591143089 /nfs/dbraw/zinc/14/30/89/591143089.db2.gz SQWIKUODNSPKAN-MRXNPFEDSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@H+]2CCC(C)(C)C2)C1 ZINC000891598409 591143091 /nfs/dbraw/zinc/14/30/91/591143091.db2.gz SQWIKUODNSPKAN-MRXNPFEDSA-N 2 1 340.512 1.374 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)n1C ZINC000891654992 591170582 /nfs/dbraw/zinc/17/05/82/591170582.db2.gz NAKMOLCRGXKTPY-KRWDZBQOSA-N 2 1 334.468 1.161 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc(Cl)nc2[nH]cnc21 ZINC000892787600 591176601 /nfs/dbraw/zinc/17/66/01/591176601.db2.gz SBWHYWJDTUXHFX-UHFFFAOYSA-N 2 1 339.875 1.716 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891672431 591178338 /nfs/dbraw/zinc/17/83/38/591178338.db2.gz ANCPRFRHBGSPOO-DNIRFERGSA-N 2 1 334.386 1.248 20 0 EDADMP [NH3+][C@@H]1CCCCCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000891685532 591185057 /nfs/dbraw/zinc/18/50/57/591185057.db2.gz NJOZQIVKSWTTRM-IXDOHACOSA-N 2 1 338.496 1.543 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892808203 591186966 /nfs/dbraw/zinc/18/69/66/591186966.db2.gz LZBKNCGVZNGFIU-QAPCUYQASA-N 2 1 330.476 1.684 20 0 EDADMP CN(C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000892809072 591187738 /nfs/dbraw/zinc/18/77/38/591187738.db2.gz RWILNYORSASMMG-AEFFLSMTSA-N 2 1 328.460 1.579 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000894105434 591195639 /nfs/dbraw/zinc/19/56/39/591195639.db2.gz IUEOXQVLMQXTNG-BVIKNXMNSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894105434 591195642 /nfs/dbraw/zinc/19/56/42/591195642.db2.gz IUEOXQVLMQXTNG-BVIKNXMNSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000894105434 591195643 /nfs/dbraw/zinc/19/56/43/591195643.db2.gz IUEOXQVLMQXTNG-BVIKNXMNSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1=CC[N@@H+](C)CC1 ZINC000891766850 591217512 /nfs/dbraw/zinc/21/75/12/591217512.db2.gz YEIUZLSRMRJTCB-GDBMZVCRSA-N 2 1 336.480 1.095 20 0 EDADMP C[N@H+]1C[C@@H](CNC(=O)NC[C@H]2CCC[NH+](C)C2)[C@H](c2ccccc2)C1 ZINC000892902208 591220084 /nfs/dbraw/zinc/22/00/84/591220084.db2.gz GUVCWZAQVKVELM-QRQLOZEOSA-N 2 1 344.503 1.973 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)[C@H](c2ccccc2)C1 ZINC000892902208 591220088 /nfs/dbraw/zinc/22/00/88/591220088.db2.gz GUVCWZAQVKVELM-QRQLOZEOSA-N 2 1 344.503 1.973 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)[C@H](c2ccccc2)C1 ZINC000892902208 591220091 /nfs/dbraw/zinc/22/00/91/591220091.db2.gz GUVCWZAQVKVELM-QRQLOZEOSA-N 2 1 344.503 1.973 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000892943109 591232646 /nfs/dbraw/zinc/23/26/46/591232646.db2.gz DHWIUIMOSJQIPX-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892992744 591249098 /nfs/dbraw/zinc/24/90/98/591249098.db2.gz YFAVZSLFTUDTJF-MVCQKVDPSA-N 2 1 343.519 1.807 20 0 EDADMP C[N@H+]1C[C@@H](CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000893018346 591255947 /nfs/dbraw/zinc/25/59/47/591255947.db2.gz FIORDDDQVQXWIZ-LMMKCTJWSA-N 2 1 342.487 1.868 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000893018346 591255950 /nfs/dbraw/zinc/25/59/50/591255950.db2.gz FIORDDDQVQXWIZ-LMMKCTJWSA-N 2 1 342.487 1.868 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000893018346 591255953 /nfs/dbraw/zinc/25/59/53/591255953.db2.gz FIORDDDQVQXWIZ-LMMKCTJWSA-N 2 1 342.487 1.868 20 0 EDADMP COC(=O)[C@]1(O)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000895708067 591257263 /nfs/dbraw/zinc/25/72/63/591257263.db2.gz OEJFQDCQKRXOSY-IBGZPJMESA-N 2 1 348.443 1.271 20 0 EDADMP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000895809644 591274243 /nfs/dbraw/zinc/27/42/43/591274243.db2.gz NZWHDKWWEHYIKA-LJQANCHMSA-N 2 1 349.519 1.822 20 0 EDADMP NC(=O)[C@@H]1CCCN1CCCNc1cc(C2CC2)nc(C2CC2)n1 ZINC000894724719 591400850 /nfs/dbraw/zinc/40/08/50/591400850.db2.gz LOWMNRIRAXBYNA-HNNXBMFYSA-N 2 1 329.448 1.983 20 0 EDADMP COC(=O)[C@@H]1[C@@H](CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1(F)F ZINC000894771038 591411244 /nfs/dbraw/zinc/41/12/44/591411244.db2.gz VXOMYHJPAXCJLK-ZNMIVQPWSA-N 2 1 345.434 1.141 20 0 EDADMP COC(=O)[C@@H]1[C@@H](C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1(F)F ZINC000894771038 591411245 /nfs/dbraw/zinc/41/12/45/591411245.db2.gz VXOMYHJPAXCJLK-ZNMIVQPWSA-N 2 1 345.434 1.141 20 0 EDADMP COC(=O)[C@@H]1[C@@H](C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1(F)F ZINC000894771038 591411247 /nfs/dbraw/zinc/41/12/47/591411247.db2.gz VXOMYHJPAXCJLK-ZNMIVQPWSA-N 2 1 345.434 1.141 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000894815334 591428036 /nfs/dbraw/zinc/42/80/36/591428036.db2.gz KWGOPEGNEFGRMF-BBWFWOEESA-N 2 1 338.496 1.101 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000894815334 591428040 /nfs/dbraw/zinc/42/80/40/591428040.db2.gz KWGOPEGNEFGRMF-BBWFWOEESA-N 2 1 338.496 1.101 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000894815334 591428042 /nfs/dbraw/zinc/42/80/42/591428042.db2.gz KWGOPEGNEFGRMF-BBWFWOEESA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000898596084 591429523 /nfs/dbraw/zinc/42/95/23/591429523.db2.gz PEUXCOHNXZOEIY-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000896353632 591434859 /nfs/dbraw/zinc/43/48/59/591434859.db2.gz YOBFBWFSMONHKN-AOIWGVFYSA-N 2 1 349.519 1.820 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000897442704 591454471 /nfs/dbraw/zinc/45/44/71/591454471.db2.gz HVGQEOZEDSJJOR-INIZCTEOSA-N 2 1 340.512 1.328 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000897442704 591454475 /nfs/dbraw/zinc/45/44/75/591454475.db2.gz HVGQEOZEDSJJOR-INIZCTEOSA-N 2 1 340.512 1.328 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@H]2CCCC[NH+](C)C2)C[C@H](C)O1 ZINC000897553957 591550861 /nfs/dbraw/zinc/55/08/61/591550861.db2.gz HJZXYYTVEGCKAP-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@H]2CCCC[NH+](C)C2)C[C@H](C)O1 ZINC000897553957 591550865 /nfs/dbraw/zinc/55/08/65/591550865.db2.gz HJZXYYTVEGCKAP-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2CCCC[N@H+](C)C2)C[C@H](C)O1 ZINC000897553957 591550868 /nfs/dbraw/zinc/55/08/68/591550868.db2.gz HJZXYYTVEGCKAP-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000897553957 591550870 /nfs/dbraw/zinc/55/08/70/591550870.db2.gz HJZXYYTVEGCKAP-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NC3CCC(C)([NH+]4CCCC4)CC3)C[C@H]2C1 ZINC000896609155 591552029 /nfs/dbraw/zinc/55/20/29/591552029.db2.gz XCAKPDAJZCXTPO-GIOYIUAESA-N 2 1 334.508 1.987 20 0 EDADMP CC[N@@H+](CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1)CCC(F)(F)F ZINC000897561002 591555165 /nfs/dbraw/zinc/55/51/65/591555165.db2.gz VKXBBKXZESCSFS-ZDUSSCGKSA-N 2 1 337.386 1.098 20 0 EDADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000896789462 591612500 /nfs/dbraw/zinc/61/25/00/591612500.db2.gz DGUZNBLYZMRLGP-QAPCUYQASA-N 2 1 345.491 1.980 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000896789462 591612503 /nfs/dbraw/zinc/61/25/03/591612503.db2.gz DGUZNBLYZMRLGP-QAPCUYQASA-N 2 1 345.491 1.980 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000896789462 591612506 /nfs/dbraw/zinc/61/25/06/591612506.db2.gz DGUZNBLYZMRLGP-QAPCUYQASA-N 2 1 345.491 1.980 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000896789462 591612509 /nfs/dbraw/zinc/61/25/09/591612509.db2.gz DGUZNBLYZMRLGP-QAPCUYQASA-N 2 1 345.491 1.980 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)[C@@H]1c1ccccc1 ZINC000897905610 591715812 /nfs/dbraw/zinc/71/58/12/591715812.db2.gz OJPQGFUYLOKNLA-RDGPPVDQSA-N 2 1 343.471 1.659 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000899991304 591859757 /nfs/dbraw/zinc/85/97/57/591859757.db2.gz HDDDZOVCGNCIBN-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000900013685 591872665 /nfs/dbraw/zinc/87/26/65/591872665.db2.gz OAIZEDCJICOIST-QUCCMNQESA-N 2 1 345.487 1.787 20 0 EDADMP O=C1C[C@H]([C@H]2CCCO2)CN1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000902140141 591920529 /nfs/dbraw/zinc/92/05/29/591920529.db2.gz VZZPSMIRTVMNGO-ZWKOTPCHSA-N 2 1 335.492 1.779 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)Cc1ccccc1 ZINC000900174144 591938220 /nfs/dbraw/zinc/93/82/20/591938220.db2.gz QIGKAJCDJCVDST-BJLQDIEVSA-N 2 1 347.503 1.511 20 0 EDADMP CC1CCN(c2ccc(CNC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)cn2)CC1 ZINC000900233731 591950011 /nfs/dbraw/zinc/95/00/11/591950011.db2.gz ZNVMJCHROAKONU-APWZRJJASA-N 2 1 346.475 1.389 20 0 EDADMP CC1CCN(c2ccc(CNC(=O)[C@]3(C)C[C@@H](O)CN3C)cn2)CC1 ZINC000900233731 591950014 /nfs/dbraw/zinc/95/00/14/591950014.db2.gz ZNVMJCHROAKONU-APWZRJJASA-N 2 1 346.475 1.389 20 0 EDADMP C[NH+]1CCC2(CCN2C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000899911199 591979468 /nfs/dbraw/zinc/97/94/68/591979468.db2.gz RQSLZOKBRMKBLZ-IBGZPJMESA-N 2 1 329.488 1.576 20 0 EDADMP CN1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)cn2)CC1 ZINC000902336545 591980703 /nfs/dbraw/zinc/98/07/03/591980703.db2.gz NIIMDDBHAVJTDJ-QGZVFWFLSA-N 2 1 331.508 1.701 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000899942193 591989178 /nfs/dbraw/zinc/98/91/78/591989178.db2.gz OXOQQQBOELYORT-LJQANCHMSA-N 2 1 346.519 1.822 20 0 EDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccnn1CC[NH+](C)C ZINC000900413370 592011778 /nfs/dbraw/zinc/01/17/78/592011778.db2.gz VKLVKCOCPYZNHF-UHFFFAOYSA-N 2 1 335.496 1.781 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNc1ccccn1 ZINC000900482064 592030681 /nfs/dbraw/zinc/03/06/81/592030681.db2.gz YPNGOQXOTXVWDN-MRXNPFEDSA-N 2 1 333.480 1.368 20 0 EDADMP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900694436 592087997 /nfs/dbraw/zinc/08/79/97/592087997.db2.gz HZYWFYRMQKAFRB-MSOLQXFVSA-N 2 1 336.524 1.393 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900694436 592088000 /nfs/dbraw/zinc/08/80/00/592088000.db2.gz HZYWFYRMQKAFRB-MSOLQXFVSA-N 2 1 336.524 1.393 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900694436 592088004 /nfs/dbraw/zinc/08/80/04/592088004.db2.gz HZYWFYRMQKAFRB-MSOLQXFVSA-N 2 1 336.524 1.393 20 0 EDADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900760285 592109298 /nfs/dbraw/zinc/10/92/98/592109298.db2.gz TZGLWNBGAULZGY-SZMVWBNQSA-N 2 1 335.492 1.620 20 0 EDADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1F ZINC000903420937 592170789 /nfs/dbraw/zinc/17/07/89/592170789.db2.gz GYUBJGORHDPSEW-CQSZACIVSA-N 2 1 337.414 1.917 20 0 EDADMP CS(=O)(=O)c1ccc(OCCC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903470257 592175180 /nfs/dbraw/zinc/17/51/80/592175180.db2.gz JBQWRMCZPPVLHQ-INIZCTEOSA-N 2 1 338.473 1.733 20 0 EDADMP CCCCC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491764 592184868 /nfs/dbraw/zinc/18/48/68/592184868.db2.gz ABOWISMIVIWZMI-AFIMGQEJSA-N 2 1 339.480 1.284 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C[C@H]1CC[NH3+] ZINC000903496905 592188296 /nfs/dbraw/zinc/18/82/96/592188296.db2.gz JORIXJSFTRQYON-KZNAEPCWSA-N 2 1 344.503 1.546 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497445 592188500 /nfs/dbraw/zinc/18/85/00/592188500.db2.gz XMIXOGQRPIGENY-FGTMMUONSA-N 2 1 344.503 1.640 20 0 EDADMP O=C(CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)NC1CCCC1 ZINC000903509194 592189857 /nfs/dbraw/zinc/18/98/57/592189857.db2.gz DDEFXLNOZZKPBU-HDICACEKSA-N 2 1 334.508 1.336 20 0 EDADMP O=C(CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)NC1CCCC1 ZINC000903509194 592189859 /nfs/dbraw/zinc/18/98/59/592189859.db2.gz DDEFXLNOZZKPBU-HDICACEKSA-N 2 1 334.508 1.336 20 0 EDADMP O=C(CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)NC1CCCC1 ZINC000903509194 592189860 /nfs/dbraw/zinc/18/98/60/592189860.db2.gz DDEFXLNOZZKPBU-HDICACEKSA-N 2 1 334.508 1.336 20 0 EDADMP CC(C)N(C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)C(C)C ZINC000903510835 592190504 /nfs/dbraw/zinc/19/05/04/592190504.db2.gz LMSYCFWMDWXZSJ-HDICACEKSA-N 2 1 336.524 1.532 20 0 EDADMP CC(C)Cc1noc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)n1 ZINC000903522769 592196628 /nfs/dbraw/zinc/19/66/28/592196628.db2.gz RPSYKFPYADAYTI-DYVFJYSZSA-N 2 1 335.452 1.005 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)CC1 ZINC000903567953 592223856 /nfs/dbraw/zinc/22/38/56/592223856.db2.gz GTSDXMFAJUEPQZ-HUUCEWRRSA-N 2 1 348.466 1.316 20 0 EDADMP Cc1cc(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)c(C)s1 ZINC000904336494 592234673 /nfs/dbraw/zinc/23/46/73/592234673.db2.gz REGYOBXPVJDEBP-OKILXGFUSA-N 2 1 343.518 1.409 20 0 EDADMP CN(C)C(=O)c1cccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000904373425 592240926 /nfs/dbraw/zinc/24/09/26/592240926.db2.gz QKPLIFFKTYKGIP-MSOLQXFVSA-N 2 1 343.471 1.589 20 0 EDADMP c1cc(N2CC[NH2+]CC2)oc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000904377388 592245060 /nfs/dbraw/zinc/24/50/60/592245060.db2.gz PNUJNUVATUCVPY-QGZVFWFLSA-N 2 1 332.492 1.901 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000901133025 592251230 /nfs/dbraw/zinc/25/12/30/592251230.db2.gz AEPZKVFURIJHIQ-JEVOJNTISA-N 2 1 349.519 1.820 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906671529 592252601 /nfs/dbraw/zinc/25/26/01/592252601.db2.gz ROVMOGJEPOLNFZ-CQSZACIVSA-N 2 1 346.475 1.667 20 0 EDADMP COCCCn1nccc1C[NH2+]Cc1ccncc1O[C@H]1CC[NH2+]C1 ZINC000904449624 592263656 /nfs/dbraw/zinc/26/36/56/592263656.db2.gz LKFLAVFWVAWICA-KRWDZBQOSA-N 2 1 345.447 1.345 20 0 EDADMP NC(=O)c1csc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)c1 ZINC000904452917 592264788 /nfs/dbraw/zinc/26/47/88/592264788.db2.gz MJDAWVDZXJFQRV-ZDUSSCGKSA-N 2 1 332.429 1.273 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904516336 592275748 /nfs/dbraw/zinc/27/57/48/592275748.db2.gz YGQAXIRDNWBGSC-IAGOWNOFSA-N 2 1 330.432 1.353 20 0 EDADMP O=C1C[C@@H](c2ccccc2)[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903723306 592283830 /nfs/dbraw/zinc/28/38/30/592283830.db2.gz UXZFHJPZZUYWHA-ROUUACIJSA-N 2 1 343.471 1.708 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC000906713016 592284210 /nfs/dbraw/zinc/28/42/10/592284210.db2.gz WHGSBRXYORQQNG-QGZVFWFLSA-N 2 1 336.524 1.489 20 0 EDADMP C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728561 592286209 /nfs/dbraw/zinc/28/62/09/592286209.db2.gz CCDZOOWXAZLPAL-WBVHZDCISA-N 2 1 339.386 1.604 20 0 EDADMP C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728561 592286211 /nfs/dbraw/zinc/28/62/11/592286211.db2.gz CCDZOOWXAZLPAL-WBVHZDCISA-N 2 1 339.386 1.604 20 0 EDADMP COc1ccc([C@@H](CO)[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903728920 592286345 /nfs/dbraw/zinc/28/63/45/592286345.db2.gz HMPUEUIPEUUELO-ZWKOTPCHSA-N 2 1 334.460 1.819 20 0 EDADMP CC(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727640 592286446 /nfs/dbraw/zinc/28/64/46/592286446.db2.gz WKBJTJPADTVOFC-IAGOWNOFSA-N 2 1 337.508 1.629 20 0 EDADMP c1nn(-c2ccccc2)c2c1C[N@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903733185 592289407 /nfs/dbraw/zinc/28/94/07/592289407.db2.gz IUKFOWFDCGMZHL-AZUAARDMSA-N 2 1 338.455 1.999 20 0 EDADMP c1nn(-c2ccccc2)c2c1C[N@@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903733185 592289409 /nfs/dbraw/zinc/28/94/09/592289409.db2.gz IUKFOWFDCGMZHL-AZUAARDMSA-N 2 1 338.455 1.999 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@H](C)C1 ZINC000904597552 592292522 /nfs/dbraw/zinc/29/25/22/592292522.db2.gz TYFOGIDLQJYBBH-KGLIPLIRSA-N 2 1 334.464 1.799 20 0 EDADMP Cc1noc(C)c1CN1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903738184 592300212 /nfs/dbraw/zinc/30/02/12/592300212.db2.gz YZHBDHWUNKXUTK-AEFFLSMTSA-N 2 1 334.464 1.178 20 0 EDADMP Cc1ncc(CN2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)s1 ZINC000903740100 592301508 /nfs/dbraw/zinc/30/15/08/592301508.db2.gz DFSGKCFWPYTJIA-DOTOQJQBSA-N 2 1 336.505 1.338 20 0 EDADMP Cc1csc(N2CC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@@H]2C)n1 ZINC000903740846 592303357 /nfs/dbraw/zinc/30/33/57/592303357.db2.gz ZWGUNHHNKYGCGN-YQQAZPJKSA-N 2 1 336.505 1.731 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCOC3CCSCC3)C2)nn1 ZINC000903761538 592308008 /nfs/dbraw/zinc/30/80/08/592308008.db2.gz VSUZSICIEURFNE-CQSZACIVSA-N 2 1 325.482 1.286 20 0 EDADMP CCOC(=O)[C@]1(F)C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC12CCC2 ZINC000903769210 592310749 /nfs/dbraw/zinc/31/07/49/592310749.db2.gz ZRGJSTGEEAGIGK-YXJHDRRASA-N 2 1 340.439 1.512 20 0 EDADMP CCOC(=O)[C@]1(F)C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC12CCC2 ZINC000903769210 592310750 /nfs/dbraw/zinc/31/07/50/592310750.db2.gz ZRGJSTGEEAGIGK-YXJHDRRASA-N 2 1 340.439 1.512 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](CCOCC)[C@@H](C)C2)C1 ZINC000906727345 592315413 /nfs/dbraw/zinc/31/54/13/592315413.db2.gz LMIOVQWWPVKIDH-IRXDYDNUSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CCOCC)[C@@H](C)C2)C1 ZINC000906727345 592315416 /nfs/dbraw/zinc/31/54/16/592315416.db2.gz LMIOVQWWPVKIDH-IRXDYDNUSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@H+](CCOCC)[C@@H](C)C2)C1 ZINC000906727345 592315419 /nfs/dbraw/zinc/31/54/19/592315419.db2.gz LMIOVQWWPVKIDH-IRXDYDNUSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@@H+](CCOCC)[C@@H](C)C2)C1 ZINC000906727345 592315423 /nfs/dbraw/zinc/31/54/23/592315423.db2.gz LMIOVQWWPVKIDH-IRXDYDNUSA-N 2 1 325.497 1.678 20 0 EDADMP Fc1ccc(N2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c(F)c1 ZINC000903778925 592318902 /nfs/dbraw/zinc/31/89/02/592318902.db2.gz TVJJBUARLGGLCC-YJBOKZPZSA-N 2 1 337.414 1.855 20 0 EDADMP CNC(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903780577 592320034 /nfs/dbraw/zinc/32/00/34/592320034.db2.gz JBHTZCCZHARCCA-KRWDZBQOSA-N 2 1 331.460 1.393 20 0 EDADMP CNC(=O)C[N@H+](Cc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903780577 592320036 /nfs/dbraw/zinc/32/00/36/592320036.db2.gz JBHTZCCZHARCCA-KRWDZBQOSA-N 2 1 331.460 1.393 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@H](CNc3ccccn3)C2)cnn1C ZINC000903889641 592351304 /nfs/dbraw/zinc/35/13/04/592351304.db2.gz URYHKKGHJPOTSB-SJORKVTESA-N 2 1 342.491 1.675 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)CN1CCC[C@@H](C(=O)OCC)C1 ZINC000908171040 592358692 /nfs/dbraw/zinc/35/86/92/592358692.db2.gz LTNYKFRUFJZJIC-CVEARBPZSA-N 2 1 339.480 1.252 20 0 EDADMP Fc1cccc(O[C@H]2CC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000903914378 592365258 /nfs/dbraw/zinc/36/52/58/592365258.db2.gz UFBYOVTYAKIBFU-QAPCUYQASA-N 2 1 345.422 1.995 20 0 EDADMP Fc1cccc(O[C@H]2CC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000903914378 592365263 /nfs/dbraw/zinc/36/52/63/592365263.db2.gz UFBYOVTYAKIBFU-QAPCUYQASA-N 2 1 345.422 1.995 20 0 EDADMP CN(C[C@H]([NH3+])CC(F)F)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000903913518 592376431 /nfs/dbraw/zinc/37/64/31/592376431.db2.gz DNTBMPHZFXLMJE-JGGQBBKZSA-N 2 1 329.439 1.717 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cnn1C ZINC000903931170 592383444 /nfs/dbraw/zinc/38/34/44/592383444.db2.gz ADDCQGNPKMQVDY-NXWXRZEISA-N 3 1 349.523 1.207 20 0 EDADMP CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903938095 592389470 /nfs/dbraw/zinc/38/94/70/592389470.db2.gz ZMFHNZMUMODVNU-NPYXIHBLSA-N 2 1 347.463 1.331 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]CC2(O)C3CC4CC(C3)CC2C4)C1 ZINC000905081100 592389671 /nfs/dbraw/zinc/38/96/71/592389671.db2.gz GYMMLHCQBZBULU-HEARQBNBSA-N 2 1 349.519 1.351 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)C[C@@H]2CCc3nccn3C2)cnn1C ZINC000903917530 592390801 /nfs/dbraw/zinc/39/08/01/592390801.db2.gz ZGNVXEULVIEXOB-JKSUJKDBSA-N 2 1 330.480 1.237 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cnn1C ZINC000903917530 592390805 /nfs/dbraw/zinc/39/08/05/592390805.db2.gz ZGNVXEULVIEXOB-JKSUJKDBSA-N 3 1 330.480 1.237 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cnn1C ZINC000903917530 592390810 /nfs/dbraw/zinc/39/08/10/592390810.db2.gz ZGNVXEULVIEXOB-JKSUJKDBSA-N 3 1 330.480 1.237 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000908229094 592393988 /nfs/dbraw/zinc/39/39/88/592393988.db2.gz FRHCOSLQIUTDEO-AYOQOUSVSA-N 2 1 343.471 1.486 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1nc3c(s1)CCCC3)C2 ZINC000903976992 592398192 /nfs/dbraw/zinc/39/81/92/592398192.db2.gz GWCMADYZRDDRCJ-JKDFXYPNSA-N 2 1 335.473 1.734 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(C(F)(F)F)n[nH]1)C2 ZINC000903977191 592399366 /nfs/dbraw/zinc/39/93/66/592399366.db2.gz LHTOOUUQGUBZBI-RWEMILLDSA-N 2 1 332.326 1.141 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)C2 ZINC000903977191 592399371 /nfs/dbraw/zinc/39/93/71/592399371.db2.gz LHTOOUUQGUBZBI-RWEMILLDSA-N 2 1 332.326 1.141 20 0 EDADMP CCc1nn(C)c(Cl)c1C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903978621 592399735 /nfs/dbraw/zinc/39/97/35/592399735.db2.gz IHPMTOGFKHMXKL-USBNGQNGSA-N 2 1 340.855 1.348 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904307599 592473873 /nfs/dbraw/zinc/47/38/73/592473873.db2.gz SCWGKGGTVQNJBD-FGTMMUONSA-N 2 1 344.459 1.576 20 0 EDADMP COc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cn1 ZINC000905294948 592487064 /nfs/dbraw/zinc/48/70/64/592487064.db2.gz MIDXTTHPFSKJAJ-IYBDPMFKSA-N 2 1 345.447 1.523 20 0 EDADMP CC[NH+](CC)CCOc1cccc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)c1 ZINC000907093587 592506118 /nfs/dbraw/zinc/50/61/18/592506118.db2.gz ZNEQYKBTVVIKFZ-LPHOPBHVSA-N 2 1 349.475 1.801 20 0 EDADMP CC[NH+](CC)CCOc1cccc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)c1 ZINC000907093587 592506120 /nfs/dbraw/zinc/50/61/20/592506120.db2.gz ZNEQYKBTVVIKFZ-LPHOPBHVSA-N 2 1 349.475 1.801 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000908538022 592529588 /nfs/dbraw/zinc/52/95/88/592529588.db2.gz QGZRDIAICLZCIG-IBGZPJMESA-N 2 1 336.524 1.347 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000908538022 592529590 /nfs/dbraw/zinc/52/95/90/592529590.db2.gz QGZRDIAICLZCIG-IBGZPJMESA-N 2 1 336.524 1.347 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000908538022 592529594 /nfs/dbraw/zinc/52/95/94/592529594.db2.gz QGZRDIAICLZCIG-IBGZPJMESA-N 2 1 336.524 1.347 20 0 EDADMP O[C@@H](CNc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C[NH+]1CCCC1 ZINC000905438522 592534820 /nfs/dbraw/zinc/53/48/20/592534820.db2.gz LFCCRRDNIIDEKI-UXHICEINSA-N 2 1 344.503 1.840 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)COCC(C)C)C2)[C@@H]1C(C)C ZINC000905503690 592546801 /nfs/dbraw/zinc/54/68/01/592546801.db2.gz SHQZUTKLPOATLW-JKEDJMADSA-N 2 1 342.524 1.479 20 0 EDADMP [NH3+]C1CC[NH+](CCNc2nc(C(F)(F)F)nc3nc[nH]c32)CC1 ZINC000905703518 592616062 /nfs/dbraw/zinc/61/60/62/592616062.db2.gz BVTAVFYZZZRFFB-UHFFFAOYSA-N 2 1 329.330 1.158 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(c1cc[nH+]c(N3CCCCC3)n1)C2 ZINC000905695367 592625458 /nfs/dbraw/zinc/62/54/58/592625458.db2.gz OMFJVPYZPLCYJQ-IYOUNJFTSA-N 2 1 345.447 1.184 20 0 EDADMP CCn1c([C@@H]2CN(C)C[C@H](C)O2)nnc1N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000908831713 592636487 /nfs/dbraw/zinc/63/64/87/592636487.db2.gz VYENWTIUUFLXGX-YRBFXIGRSA-N 2 1 348.495 1.078 20 0 EDADMP Cc1ccc2c(c1)[C@@H]1C[NH+](C)CC[C@H]1N2C(=O)[C@@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000905984000 592703946 /nfs/dbraw/zinc/70/39/46/592703946.db2.gz URUOKTQQTPXPRM-HYEGPXJVSA-N 2 1 343.471 1.848 20 0 EDADMP Cc1ccc2c(c1)[C@@H]1C[NH+](C)CC[C@H]1N2C(=O)[C@@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000905984000 592703948 /nfs/dbraw/zinc/70/39/48/592703948.db2.gz URUOKTQQTPXPRM-HYEGPXJVSA-N 2 1 343.471 1.848 20 0 EDADMP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H]1C[NH+](C)C[C@@H](C)O1 ZINC000905984000 592703950 /nfs/dbraw/zinc/70/39/50/592703950.db2.gz URUOKTQQTPXPRM-HYEGPXJVSA-N 2 1 343.471 1.848 20 0 EDADMP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H]1C[NH+](C)C[C@@H](C)O1 ZINC000905984000 592703954 /nfs/dbraw/zinc/70/39/54/592703954.db2.gz URUOKTQQTPXPRM-HYEGPXJVSA-N 2 1 343.471 1.848 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000906085952 592738987 /nfs/dbraw/zinc/73/89/87/592738987.db2.gz GXDIQUFBHQEYML-CGTJXYLNSA-N 2 1 333.476 1.766 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000906085952 592738990 /nfs/dbraw/zinc/73/89/90/592738990.db2.gz GXDIQUFBHQEYML-CGTJXYLNSA-N 2 1 333.476 1.766 20 0 EDADMP C[NH+](C)CCCC1CC[NH+](Cc2cn(Cc3ncon3)nn2)CC1 ZINC000906281889 592773742 /nfs/dbraw/zinc/77/37/42/592773742.db2.gz WIXJUOCQNLCZCL-UHFFFAOYSA-N 2 1 333.440 1.263 20 0 EDADMP O=C(N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC000907877721 592826075 /nfs/dbraw/zinc/82/60/75/592826075.db2.gz MLBOWGWASVMLIS-HDICACEKSA-N 2 1 325.456 1.673 20 0 EDADMP CCn1ccnc1[C@@H]1CCCCN1C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000907937617 592849845 /nfs/dbraw/zinc/84/98/45/592849845.db2.gz FTTSVMKTRVIGEC-YJBOKZPZSA-N 2 1 334.464 1.803 20 0 EDADMP C[NH+](C)CCN(CCc1ccccc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000732891831 592934628 /nfs/dbraw/zinc/93/46/28/592934628.db2.gz VJCGDJMXWORUQB-UHFFFAOYSA-N 2 1 332.492 1.897 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000911656355 592978647 /nfs/dbraw/zinc/97/86/47/592978647.db2.gz NQPQQBHNLGZGFF-CYBMUJFWSA-N 2 1 342.237 1.279 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000911702151 592990345 /nfs/dbraw/zinc/99/03/45/592990345.db2.gz JNCPDMWPTSDUSK-QZTJIDSGSA-N 2 1 332.492 1.943 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000911899702 593028213 /nfs/dbraw/zinc/02/82/13/593028213.db2.gz ATZLYFYEQLXWSM-QUCCMNQESA-N 2 1 345.487 1.219 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000911899702 593028214 /nfs/dbraw/zinc/02/82/14/593028214.db2.gz ATZLYFYEQLXWSM-QUCCMNQESA-N 2 1 345.487 1.219 20 0 EDADMP C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)[C@H](Cc2ccccc2)C1 ZINC000911899702 593028215 /nfs/dbraw/zinc/02/82/15/593028215.db2.gz ATZLYFYEQLXWSM-QUCCMNQESA-N 2 1 345.487 1.219 20 0 EDADMP C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[C@H](Cc2ccccc2)C1 ZINC000911899702 593028216 /nfs/dbraw/zinc/02/82/16/593028216.db2.gz ATZLYFYEQLXWSM-QUCCMNQESA-N 2 1 345.487 1.219 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912030725 593049915 /nfs/dbraw/zinc/04/99/15/593049915.db2.gz ZQVDTOGWDAZZNN-SJORKVTESA-N 2 1 337.508 1.903 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000912489309 593098721 /nfs/dbraw/zinc/09/87/21/593098721.db2.gz IBNULQFPLAZJSG-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP Cc1cncc(N(Cc2ncc[nH]2)C(=O)CC[NH+]2CCOCC2)c1 ZINC000912528852 593103243 /nfs/dbraw/zinc/10/32/43/593103243.db2.gz HFEIXAVAOMSFCH-UHFFFAOYSA-N 2 1 329.404 1.369 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2cnnn2-c2ccccc2)C1 ZINC000808263986 593245981 /nfs/dbraw/zinc/24/59/81/593245981.db2.gz KLRPRCUIRPUGBI-INIZCTEOSA-N 2 1 344.419 1.375 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cnnn2-c2ccccc2)C1 ZINC000808263986 593245983 /nfs/dbraw/zinc/24/59/83/593245983.db2.gz KLRPRCUIRPUGBI-INIZCTEOSA-N 2 1 344.419 1.375 20 0 EDADMP C[C@H](O)c1ncc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)s1 ZINC000809147695 593320662 /nfs/dbraw/zinc/32/06/62/593320662.db2.gz VJODCNMZJDPLKW-LBPRGKRZSA-N 2 1 340.493 1.086 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C(=O)C3(CCC3)[C@H]2[C@@H]2CCCO2)CC1 ZINC000811747613 593478456 /nfs/dbraw/zinc/47/84/56/593478456.db2.gz PESMJCIWWWSIPT-DLBZAZTESA-N 2 1 335.492 1.778 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000813500841 593536777 /nfs/dbraw/zinc/53/67/77/593536777.db2.gz LFADXTCLIZGGSW-KRWDZBQOSA-N 2 1 329.460 1.114 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000813500841 593536779 /nfs/dbraw/zinc/53/67/79/593536779.db2.gz LFADXTCLIZGGSW-KRWDZBQOSA-N 2 1 329.460 1.114 20 0 EDADMP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000817276973 593587506 /nfs/dbraw/zinc/58/75/06/593587506.db2.gz VTCGZTGLKXGOBT-PMPSAXMXSA-N 2 1 326.481 1.885 20 0 EDADMP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000817276973 593587507 /nfs/dbraw/zinc/58/75/07/593587507.db2.gz VTCGZTGLKXGOBT-PMPSAXMXSA-N 2 1 326.481 1.885 20 0 EDADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000817893406 593646148 /nfs/dbraw/zinc/64/61/48/593646148.db2.gz SRQQBUIJQQDFRE-CVEARBPZSA-N 2 1 325.478 1.356 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000818997866 593733082 /nfs/dbraw/zinc/73/30/82/593733082.db2.gz MUAUQLAKEIQZMH-IRXDYDNUSA-N 2 1 337.439 1.391 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000818997866 593733083 /nfs/dbraw/zinc/73/30/83/593733083.db2.gz MUAUQLAKEIQZMH-IRXDYDNUSA-N 2 1 337.439 1.391 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1(C)C ZINC000819287957 593748529 /nfs/dbraw/zinc/74/85/29/593748529.db2.gz SPXUCOSGHAEORV-INIZCTEOSA-N 2 1 327.419 1.614 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000824691453 594057282 /nfs/dbraw/zinc/05/72/82/594057282.db2.gz DGKNZHLXBCRHTR-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000822951265 594127402 /nfs/dbraw/zinc/12/74/02/594127402.db2.gz ONRMJOKYTLMUOM-ZFWWWQNUSA-N 2 1 342.447 1.739 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(-c2nn[nH]n2)cs1 ZINC000825848832 594261836 /nfs/dbraw/zinc/26/18/36/594261836.db2.gz GDSOUDKUEMMYEV-SNPRPXQTSA-N 2 1 348.476 1.612 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(-c2nn[nH]n2)cs1 ZINC000825848832 594261838 /nfs/dbraw/zinc/26/18/38/594261838.db2.gz GDSOUDKUEMMYEV-SNPRPXQTSA-N 2 1 348.476 1.612 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826330605 594429039 /nfs/dbraw/zinc/42/90/39/594429039.db2.gz AJTAFKDWFRLQGQ-MRXNPFEDSA-N 2 1 341.419 1.427 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826330605 594429040 /nfs/dbraw/zinc/42/90/40/594429040.db2.gz AJTAFKDWFRLQGQ-MRXNPFEDSA-N 2 1 341.419 1.427 20 0 EDADMP CC[NH+]1CCN(CC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000826668876 594550530 /nfs/dbraw/zinc/55/05/30/594550530.db2.gz XJUVJMJNZOHSFV-SFHVURJKSA-N 2 1 336.524 1.537 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829272195 594590948 /nfs/dbraw/zinc/59/09/48/594590948.db2.gz HSNQZKYPUPXKHR-UHFFFAOYSA-N 2 1 334.464 1.543 20 0 EDADMP CCO[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000831756402 594700034 /nfs/dbraw/zinc/70/00/34/594700034.db2.gz HSHAZKCYCCVUDX-RTBURBONSA-N 2 1 347.503 1.982 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000833552337 594872208 /nfs/dbraw/zinc/87/22/08/594872208.db2.gz JTQYZKYCDIZHAQ-YOEHRIQHSA-N 2 1 329.460 1.162 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000833552337 594872209 /nfs/dbraw/zinc/87/22/09/594872209.db2.gz JTQYZKYCDIZHAQ-YOEHRIQHSA-N 2 1 329.460 1.162 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000833552337 594872211 /nfs/dbraw/zinc/87/22/11/594872211.db2.gz JTQYZKYCDIZHAQ-YOEHRIQHSA-N 2 1 329.460 1.162 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000843348979 595083105 /nfs/dbraw/zinc/08/31/05/595083105.db2.gz BIABGNVUFRZGMP-UHFFFAOYSA-N 2 1 341.455 1.619 20 0 EDADMP NS(=O)(=O)c1ccc(OCC[N@@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)cc1 ZINC000843362151 595087830 /nfs/dbraw/zinc/08/78/30/595087830.db2.gz UARFYNBVNZWBOL-AGUYFDCRSA-N 2 1 339.461 1.057 20 0 EDADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2ccc(O)cc2)CC1 ZINC000842479217 595115663 /nfs/dbraw/zinc/11/56/63/595115663.db2.gz QPCCOVFYVLCUCT-AEFFLSMTSA-N 2 1 333.432 1.549 20 0 EDADMP Cn1cncc1[C@H]1CC(=O)N(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)C1 ZINC000842624767 595148076 /nfs/dbraw/zinc/14/80/76/595148076.db2.gz KMDNCTIMWXFTLD-HNAYVOBHSA-N 2 1 342.443 1.533 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)NCc2ccccn2)C1 ZINC000846226839 595179302 /nfs/dbraw/zinc/17/93/02/595179302.db2.gz COZKZGFEIUUFKC-HYVNUMGLSA-N 2 1 332.448 1.059 20 0 EDADMP CCC[N@@H+](C)CC(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000844163697 595288152 /nfs/dbraw/zinc/28/81/52/595288152.db2.gz UDJFPHHVNHZOER-UHFFFAOYSA-N 2 1 333.432 1.876 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000844172411 595290788 /nfs/dbraw/zinc/29/07/88/595290788.db2.gz XEFAWMSUXSQQIC-YJBOKZPZSA-N 2 1 347.459 1.455 20 0 EDADMP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000844178203 595293393 /nfs/dbraw/zinc/29/33/93/595293393.db2.gz WJJLBYPRVBLAAT-OALUTQOASA-N 2 1 345.487 1.926 20 0 EDADMP CC(C)c1cnc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)o1 ZINC000844221652 595306595 /nfs/dbraw/zinc/30/65/95/595306595.db2.gz QRPGMQKSODLEMQ-LSDHHAIUSA-N 2 1 334.464 1.878 20 0 EDADMP CC(C)c1cnc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)o1 ZINC000844221652 595306597 /nfs/dbraw/zinc/30/65/97/595306597.db2.gz QRPGMQKSODLEMQ-LSDHHAIUSA-N 2 1 334.464 1.878 20 0 EDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846809003 595319643 /nfs/dbraw/zinc/31/96/43/595319643.db2.gz OKQMTHARNHEDEK-PBHICJAKSA-N 2 1 327.469 1.242 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CN(CC)C(=O)O2)[C@@H](C)C1 ZINC000846856775 595327513 /nfs/dbraw/zinc/32/75/13/595327513.db2.gz GWWHFCSUHVIBHJ-JYJNAYRXSA-N 2 1 327.469 1.554 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000846961402 595342987 /nfs/dbraw/zinc/34/29/87/595342987.db2.gz WNEWTIGLNMBTDB-OLZOCXBDSA-N 2 1 344.381 1.695 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000846961402 595342989 /nfs/dbraw/zinc/34/29/89/595342989.db2.gz WNEWTIGLNMBTDB-OLZOCXBDSA-N 2 1 344.381 1.695 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@](C)(CO)C3CC3)CC2)CC1 ZINC000847585882 595452865 /nfs/dbraw/zinc/45/28/65/595452865.db2.gz VJGXDNGBYQAWHW-IBGZPJMESA-N 2 1 337.508 1.460 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=[NH2+])N(C)C2CC2)c1 ZINC000849080135 595478988 /nfs/dbraw/zinc/47/89/88/595478988.db2.gz XCMLGPTVOVHCHM-UHFFFAOYSA-N 2 1 334.464 1.762 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)c1ccccc1Cl ZINC000849100936 595481845 /nfs/dbraw/zinc/48/18/45/595481845.db2.gz PLVJAFLRADZDBA-OAHLLOKOSA-N 2 1 340.855 1.210 20 0 EDADMP COc1ccc(OC)c(NC(=[NH2+])NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000849108472 595482915 /nfs/dbraw/zinc/48/29/15/595482915.db2.gz USCCHNYXAWHPJN-UHFFFAOYSA-N 2 1 349.479 1.666 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000845502119 595508154 /nfs/dbraw/zinc/50/81/54/595508154.db2.gz ISGPJGLXPVALJA-YJBOKZPZSA-N 2 1 346.475 1.514 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC2(C)CC[NH+](C)CC2)cn1 ZINC000849572596 595575585 /nfs/dbraw/zinc/57/55/85/595575585.db2.gz CFKOLTQIOKDGDR-IAGOWNOFSA-N 2 1 347.507 1.304 20 0 EDADMP CC(C)[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849575098 595577664 /nfs/dbraw/zinc/57/76/64/595577664.db2.gz BWOYVMRVVRRUEU-ZWKOTPCHSA-N 2 1 347.507 1.443 20 0 EDADMP CC(C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849575098 595577668 /nfs/dbraw/zinc/57/76/68/595577668.db2.gz BWOYVMRVVRRUEU-ZWKOTPCHSA-N 2 1 347.507 1.443 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849594040 595585363 /nfs/dbraw/zinc/58/53/63/595585363.db2.gz SFPSJUFHAGISEF-SZMVWBNQSA-N 2 1 349.523 1.692 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849594040 595585365 /nfs/dbraw/zinc/58/53/65/595585365.db2.gz SFPSJUFHAGISEF-SZMVWBNQSA-N 2 1 349.523 1.692 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849594040 595585366 /nfs/dbraw/zinc/58/53/66/595585366.db2.gz SFPSJUFHAGISEF-SZMVWBNQSA-N 2 1 349.523 1.692 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849598326 595587609 /nfs/dbraw/zinc/58/76/09/595587609.db2.gz ZNZUFWPIYAXFAQ-BPQIPLTHSA-N 2 1 349.523 1.692 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849598326 595587612 /nfs/dbraw/zinc/58/76/12/595587612.db2.gz ZNZUFWPIYAXFAQ-BPQIPLTHSA-N 2 1 349.523 1.692 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849598326 595587613 /nfs/dbraw/zinc/58/76/13/595587613.db2.gz ZNZUFWPIYAXFAQ-BPQIPLTHSA-N 2 1 349.523 1.692 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NC(C)(C)C[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849599594 595589013 /nfs/dbraw/zinc/58/90/13/595589013.db2.gz CRRQXARQGCKZBY-SJORKVTESA-N 2 1 349.523 1.690 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NC(C)(C)C[NH+]2CCCC2)cn1 ZINC000849602809 595589926 /nfs/dbraw/zinc/58/99/26/595589926.db2.gz QWCQGWJUOXYSRH-SJORKVTESA-N 2 1 347.507 1.446 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000852908446 595609816 /nfs/dbraw/zinc/60/98/16/595609816.db2.gz XQNYRKZZWZOJSB-MOPGFXCFSA-N 2 1 345.487 1.530 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC[C@H]2COC(C)(C)O2)CC1 ZINC000851763896 595913917 /nfs/dbraw/zinc/91/39/17/595913917.db2.gz YDIJQIPSHMFMMO-IRXDYDNUSA-N 2 1 325.497 1.630 20 0 EDADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000851849863 595946665 /nfs/dbraw/zinc/94/66/65/595946665.db2.gz YRQBENUGLNWODF-MRXNPFEDSA-N 2 1 347.459 1.455 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000851865310 595953870 /nfs/dbraw/zinc/95/38/70/595953870.db2.gz UAEYVBOZOWHNMW-OAGGEKHMSA-N 2 1 343.512 1.923 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000851865310 595953872 /nfs/dbraw/zinc/95/38/72/595953872.db2.gz UAEYVBOZOWHNMW-OAGGEKHMSA-N 2 1 343.512 1.923 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000851865310 595953875 /nfs/dbraw/zinc/95/38/75/595953875.db2.gz UAEYVBOZOWHNMW-OAGGEKHMSA-N 2 1 343.512 1.923 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000851865310 595953879 /nfs/dbraw/zinc/95/38/79/595953879.db2.gz UAEYVBOZOWHNMW-OAGGEKHMSA-N 2 1 343.512 1.923 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000851913737 595971528 /nfs/dbraw/zinc/97/15/28/595971528.db2.gz YWKKPQOWRSCFMY-XHSDSOJGSA-N 2 1 343.512 1.923 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000851913737 595971530 /nfs/dbraw/zinc/97/15/30/595971530.db2.gz YWKKPQOWRSCFMY-XHSDSOJGSA-N 2 1 343.512 1.923 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000851913737 595971533 /nfs/dbraw/zinc/97/15/33/595971533.db2.gz YWKKPQOWRSCFMY-XHSDSOJGSA-N 2 1 343.512 1.923 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000851913737 595971534 /nfs/dbraw/zinc/97/15/34/595971534.db2.gz YWKKPQOWRSCFMY-XHSDSOJGSA-N 2 1 343.512 1.923 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000859211815 596005321 /nfs/dbraw/zinc/00/53/21/596005321.db2.gz ALWJMXBADQIUON-KRWDZBQOSA-N 2 1 339.505 1.462 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC(=O)OC)C2)ccn1 ZINC000856585532 596022021 /nfs/dbraw/zinc/02/20/21/596022021.db2.gz IKPHOAGTTXGVFS-KRWDZBQOSA-N 2 1 335.448 1.940 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCC(=O)OC)C2)ccn1 ZINC000856585532 596022027 /nfs/dbraw/zinc/02/20/27/596022027.db2.gz IKPHOAGTTXGVFS-KRWDZBQOSA-N 2 1 335.448 1.940 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCC(=O)OC)C2)ccn1 ZINC000856585532 596022031 /nfs/dbraw/zinc/02/20/31/596022031.db2.gz IKPHOAGTTXGVFS-KRWDZBQOSA-N 2 1 335.448 1.940 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000852064841 596030068 /nfs/dbraw/zinc/03/00/68/596030068.db2.gz RXAHTIHSKOJIBK-INIZCTEOSA-N 2 1 326.485 1.269 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C(C)C ZINC000861570409 596032384 /nfs/dbraw/zinc/03/23/84/596032384.db2.gz PKUFSDCKTNPYBL-OLZOCXBDSA-N 2 1 338.418 1.885 20 0 EDADMP O=C(CC[NH+]1CCc2ccccc2C1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861717218 596078822 /nfs/dbraw/zinc/07/88/22/596078822.db2.gz YQWNNHDDXALRNZ-RBUKOAKNSA-N 2 1 343.471 1.102 20 0 EDADMP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000861717218 596078827 /nfs/dbraw/zinc/07/88/27/596078827.db2.gz YQWNNHDDXALRNZ-RBUKOAKNSA-N 2 1 343.471 1.102 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000861717218 596078832 /nfs/dbraw/zinc/07/88/32/596078832.db2.gz YQWNNHDDXALRNZ-RBUKOAKNSA-N 2 1 343.471 1.102 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857101544 596157912 /nfs/dbraw/zinc/15/79/12/596157912.db2.gz WZNNIALXGQUAIP-GOSISDBHSA-N 2 1 333.476 1.804 20 0 EDADMP COCC[NH+](C)CCNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857101544 596157915 /nfs/dbraw/zinc/15/79/15/596157915.db2.gz WZNNIALXGQUAIP-GOSISDBHSA-N 2 1 333.476 1.804 20 0 EDADMP COCC[NH+](C)CCNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857101544 596157919 /nfs/dbraw/zinc/15/79/19/596157919.db2.gz WZNNIALXGQUAIP-GOSISDBHSA-N 2 1 333.476 1.804 20 0 EDADMP COC(=O)/C=C/c1ccc(OCC[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000866665990 596285415 /nfs/dbraw/zinc/28/54/15/596285415.db2.gz JVURABBHRBDZQJ-ZGRWHYIRSA-N 2 1 334.416 1.301 20 0 EDADMP COC(=O)/C=C/c1ccc(OCC[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000866665990 596285419 /nfs/dbraw/zinc/28/54/19/596285419.db2.gz JVURABBHRBDZQJ-ZGRWHYIRSA-N 2 1 334.416 1.301 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000866706319 596301572 /nfs/dbraw/zinc/30/15/72/596301572.db2.gz OCXAMCVNVNGHSO-JXFKEZNVSA-N 2 1 345.487 1.803 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000866706319 596301576 /nfs/dbraw/zinc/30/15/76/596301576.db2.gz OCXAMCVNVNGHSO-JXFKEZNVSA-N 2 1 345.487 1.803 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000866714378 596306281 /nfs/dbraw/zinc/30/62/81/596306281.db2.gz NMKLJZBWUKVALC-XYJFISCASA-N 2 1 343.427 1.031 20 0 EDADMP O=C(NCC[N@@H+]1CCCOCC1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870927634 596408671 /nfs/dbraw/zinc/40/86/71/596408671.db2.gz YGCPDLALRWRNIJ-UHFFFAOYSA-N 2 1 338.477 1.062 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870927634 596408673 /nfs/dbraw/zinc/40/86/73/596408673.db2.gz YGCPDLALRWRNIJ-UHFFFAOYSA-N 2 1 338.477 1.062 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871156517 596482719 /nfs/dbraw/zinc/48/27/19/596482719.db2.gz DDXLYFJNPDTVHR-UHFFFAOYSA-N 2 1 344.463 1.779 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871156517 596482720 /nfs/dbraw/zinc/48/27/20/596482720.db2.gz DDXLYFJNPDTVHR-UHFFFAOYSA-N 2 1 344.463 1.779 20 0 EDADMP Cc1ccnc(C[NH2+]CC2(O)CC[NH+](C)CC2)c1Br ZINC000865473785 596585182 /nfs/dbraw/zinc/58/51/82/596585182.db2.gz RHAOISIQHKTJHJ-UHFFFAOYSA-N 2 1 328.254 1.699 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000863550107 596615302 /nfs/dbraw/zinc/61/53/02/596615302.db2.gz NXJXMMVZPCOLPX-CVEARBPZSA-N 2 1 337.370 1.722 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000869779321 596631454 /nfs/dbraw/zinc/63/14/54/596631454.db2.gz YWGWFJNHWJXLSS-RDJZCZTQSA-N 2 1 337.508 1.745 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000869779321 596631456 /nfs/dbraw/zinc/63/14/56/596631456.db2.gz YWGWFJNHWJXLSS-RDJZCZTQSA-N 2 1 337.508 1.745 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000869779321 596631460 /nfs/dbraw/zinc/63/14/60/596631460.db2.gz YWGWFJNHWJXLSS-RDJZCZTQSA-N 2 1 337.508 1.745 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000869799820 596639520 /nfs/dbraw/zinc/63/95/20/596639520.db2.gz JLZMLXKCTAVIFW-PKOBYXMFSA-N 2 1 345.487 1.593 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000869799820 596639523 /nfs/dbraw/zinc/63/95/23/596639523.db2.gz JLZMLXKCTAVIFW-PKOBYXMFSA-N 2 1 345.487 1.593 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C(C)(C)[C@H]3CCCCO3)cn2)CC1 ZINC000865748032 596668614 /nfs/dbraw/zinc/66/86/14/596668614.db2.gz YNIIZWVBBINCMA-MRXNPFEDSA-N 2 1 333.480 1.666 20 0 EDADMP CN(C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000868237170 596740182 /nfs/dbraw/zinc/74/01/82/596740182.db2.gz RFBGXVBVRHCSQI-IXDOHACOSA-N 2 1 342.443 1.135 20 0 EDADMP C[NH+]1CCN([C@@H](C[NH2+]C[C@@H](O)CC(C)(C)O)c2cccs2)CC1 ZINC000871966997 596763299 /nfs/dbraw/zinc/76/32/99/596763299.db2.gz XFVIQBPZVZOECV-GJZGRUSLSA-N 2 1 341.521 1.148 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+][C@@H](c3ccc(OC)cc3)C2)CC[N@@H+]1C ZINC000870146041 596772442 /nfs/dbraw/zinc/77/24/42/596772442.db2.gz UGZJCZZXNZJKAH-RCCFBDPRSA-N 2 1 331.460 1.898 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+][C@@H](c3ccc(OC)cc3)C2)CC[N@H+]1C ZINC000870146041 596772443 /nfs/dbraw/zinc/77/24/43/596772443.db2.gz UGZJCZZXNZJKAH-RCCFBDPRSA-N 2 1 331.460 1.898 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868310072 596783130 /nfs/dbraw/zinc/78/31/30/596783130.db2.gz QWUMDUZHDUENBJ-DOTOQJQBSA-N 2 1 344.459 1.287 20 0 EDADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000872158422 596816802 /nfs/dbraw/zinc/81/68/02/596816802.db2.gz UZZDUFUSPCIDKR-WMZOPIPTSA-N 3 1 336.524 1.428 20 0 EDADMP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1)C1CCCC1 ZINC000872158422 596816806 /nfs/dbraw/zinc/81/68/06/596816806.db2.gz UZZDUFUSPCIDKR-WMZOPIPTSA-N 2 1 336.524 1.428 20 0 EDADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1)C1CCCC1 ZINC000872158422 596816810 /nfs/dbraw/zinc/81/68/10/596816810.db2.gz UZZDUFUSPCIDKR-WMZOPIPTSA-N 2 1 336.524 1.428 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[NH+]3CCCC3)cc2)C1 ZINC000874268801 596993414 /nfs/dbraw/zinc/99/34/14/596993414.db2.gz NLEYWBJDZIHHOS-MRXNPFEDSA-N 2 1 344.459 1.418 20 0 EDADMP CCC[C@@H]1CC(=O)N(C[N@H+](CCOC)CC2CC[NH+](C)CC2)C1 ZINC000872631748 597000903 /nfs/dbraw/zinc/00/09/03/597000903.db2.gz FQUGTZYPBGTZOT-QGZVFWFLSA-N 2 1 325.497 1.883 20 0 EDADMP CCC[C@@H]1CC(=O)N(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)C1 ZINC000872631748 597000906 /nfs/dbraw/zinc/00/09/06/597000906.db2.gz FQUGTZYPBGTZOT-QGZVFWFLSA-N 2 1 325.497 1.883 20 0 EDADMP OCC[N@@H+](CCOCC(F)(F)F)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873205730 597227130 /nfs/dbraw/zinc/22/71/30/597227130.db2.gz UOKKVEKXSCBTNC-UHFFFAOYSA-N 2 1 338.395 1.767 20 0 EDADMP c1c(C[N@@H+](CCN2CCOCC2)CC2CC2)sc2c1C[NH2+]CC2 ZINC000873212629 597229700 /nfs/dbraw/zinc/22/97/00/597229700.db2.gz QKKVMHFFNJPVOK-UHFFFAOYSA-N 2 1 335.517 1.938 20 0 EDADMP COc1ccccc1[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000873221791 597231556 /nfs/dbraw/zinc/23/15/56/597231556.db2.gz QGCIHRLAVLUZKC-QAPCUYQASA-N 2 1 347.459 1.266 20 0 EDADMP COc1ccccc1[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000873221791 597231559 /nfs/dbraw/zinc/23/15/59/597231559.db2.gz QGCIHRLAVLUZKC-QAPCUYQASA-N 2 1 347.459 1.266 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@]3(CCc4ccccc43)C2)C1 ZINC000873226968 597234149 /nfs/dbraw/zinc/23/41/49/597234149.db2.gz FIVJRIONEOWQRQ-JXFKEZNVSA-N 2 1 327.472 1.774 20 0 EDADMP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CC[NH2+]C[C@H]1C(F)F ZINC000876854266 597359975 /nfs/dbraw/zinc/35/99/75/597359975.db2.gz SRYWDKWRLDGNSI-NSHDSACASA-N 2 1 330.404 1.289 20 0 EDADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000877030953 597417418 /nfs/dbraw/zinc/41/74/18/597417418.db2.gz OCTMSIYOQYBSKY-SZVBFZGTSA-N 2 1 343.471 1.898 20 0 EDADMP CC[C@@H]1COCCN1CCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000875535649 597468569 /nfs/dbraw/zinc/46/85/69/597468569.db2.gz QXDMZPAQPFFVCN-WBVHZDCISA-N 2 1 338.496 1.413 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285121 597486387 /nfs/dbraw/zinc/48/63/87/597486387.db2.gz XZAIQXJJGLLFJQ-RTBURBONSA-N 2 1 342.487 1.157 20 0 EDADMP Cn1ncc2cc(C[NH2+]CC(=O)NCC[NH+]3CCCCCC3)cnc21 ZINC000877548930 597534031 /nfs/dbraw/zinc/53/40/31/597534031.db2.gz WXHHQSLWODMNBY-UHFFFAOYSA-N 2 1 344.463 1.050 20 0 EDADMP COC(=O)/C=C/c1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)o1 ZINC000877746672 597552539 /nfs/dbraw/zinc/55/25/39/597552539.db2.gz WIHGEWWBSHAVEV-AATRIKPKSA-N 2 1 347.459 1.678 20 0 EDADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3c(c(=O)[nH]2)COCC3)CC1 ZINC000878048115 597571897 /nfs/dbraw/zinc/57/18/97/597571897.db2.gz PAYRGEYFURRNAT-UHFFFAOYSA-N 2 1 334.464 1.807 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3c(c(=O)[nH]2)COCC3)CC1 ZINC000878048115 597571898 /nfs/dbraw/zinc/57/18/98/597571898.db2.gz PAYRGEYFURRNAT-UHFFFAOYSA-N 2 1 334.464 1.807 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000878222588 597588000 /nfs/dbraw/zinc/58/80/00/597588000.db2.gz HNQXEWMDBIBVMN-ICSRJNTNSA-N 2 1 345.487 1.785 20 0 EDADMP CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878293468 597593285 /nfs/dbraw/zinc/59/32/85/597593285.db2.gz KBRAFOBAPLMVJI-OAHLLOKOSA-N 2 1 339.480 1.252 20 0 EDADMP COc1cccc([C@H]2CN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC[NH2+]2)c1 ZINC000879523389 597617058 /nfs/dbraw/zinc/61/70/58/597617058.db2.gz CBVRWVMNXIHWMI-CEXWTWQISA-N 2 1 331.460 1.505 20 0 EDADMP COc1cccc([C@H]2CN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC[NH2+]2)c1 ZINC000879523389 597617060 /nfs/dbraw/zinc/61/70/60/597617060.db2.gz CBVRWVMNXIHWMI-CEXWTWQISA-N 2 1 331.460 1.505 20 0 EDADMP CN(C[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000879581300 597642850 /nfs/dbraw/zinc/64/28/50/597642850.db2.gz XUNNTUMKAVEMAJ-RKVPGOIHSA-N 2 1 341.496 1.630 20 0 EDADMP CN(C[C@](C)(O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000879581300 597642856 /nfs/dbraw/zinc/64/28/56/597642856.db2.gz XUNNTUMKAVEMAJ-RKVPGOIHSA-N 2 1 341.496 1.630 20 0 EDADMP CN(C[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000879581300 597642860 /nfs/dbraw/zinc/64/28/60/597642860.db2.gz XUNNTUMKAVEMAJ-RKVPGOIHSA-N 2 1 341.496 1.630 20 0 EDADMP CN(C[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000879581300 597642863 /nfs/dbraw/zinc/64/28/63/597642863.db2.gz XUNNTUMKAVEMAJ-RKVPGOIHSA-N 2 1 341.496 1.630 20 0 EDADMP COC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1CCCOC1 ZINC000883185591 597680733 /nfs/dbraw/zinc/68/07/33/597680733.db2.gz ANMRJLHFGWLSHE-QZTJIDSGSA-N 2 1 327.513 1.291 20 0 EDADMP COC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCCOC1 ZINC000883190244 597681717 /nfs/dbraw/zinc/68/17/17/597681717.db2.gz YGZZJSSVTZBJAW-SZMVWBNQSA-N 2 1 326.481 1.661 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(F)(F)C(F)(F)F ZINC000883362922 597724551 /nfs/dbraw/zinc/72/45/51/597724551.db2.gz QSJWNBWMBAHRQB-VXGBXAGGSA-N 2 1 346.340 1.778 20 0 EDADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000883585791 597814430 /nfs/dbraw/zinc/81/44/30/597814430.db2.gz YCSTXQZXZAEILN-JQHSSLGASA-N 2 1 341.459 1.549 20 0 EDADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)NC1CC[NH2+]CC1 ZINC000883586953 597815546 /nfs/dbraw/zinc/81/55/46/597815546.db2.gz WHNMBGFBBUKNKP-GOSISDBHSA-N 2 1 343.475 1.845 20 0 EDADMP COC(=O)[C@@H]([NH2+]CCCNC(=O)C1CC[NH+](C2CC2)CC1)C(C)C ZINC000880164638 597861864 /nfs/dbraw/zinc/86/18/64/597861864.db2.gz DQNXVPUDGPFZOG-INIZCTEOSA-N 2 1 339.480 1.154 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000883728119 597877778 /nfs/dbraw/zinc/87/77/78/597877778.db2.gz JGIUVBFVCHJHEL-HOTGVXAUSA-N 2 1 331.464 1.786 20 0 EDADMP CC[N@@H+]1[C@H](C)CN(C(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[C@@H]1C ZINC000880611038 597980529 /nfs/dbraw/zinc/98/05/29/597980529.db2.gz HLSZZKXLINUYFF-MVJTYMMSSA-N 2 1 347.507 1.397 20 0 EDADMP CC[NH+]1[C@H](C)CN(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C[C@@H]1C ZINC000880611038 597980530 /nfs/dbraw/zinc/98/05/30/597980530.db2.gz HLSZZKXLINUYFF-MVJTYMMSSA-N 2 1 347.507 1.397 20 0 EDADMP CC[NH+]1[C@H](C)CN(C(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C[C@@H]1C ZINC000880611038 597980532 /nfs/dbraw/zinc/98/05/32/597980532.db2.gz HLSZZKXLINUYFF-MVJTYMMSSA-N 2 1 347.507 1.397 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CC[C@H]1CC(C)(C)CO1 ZINC000880663806 597990541 /nfs/dbraw/zinc/99/05/41/597990541.db2.gz FUSGGWZBURINJM-HOTGVXAUSA-N 2 1 327.513 1.970 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CC[C@H]1CC(C)(C)CO1 ZINC000880663806 597990544 /nfs/dbraw/zinc/99/05/44/597990544.db2.gz FUSGGWZBURINJM-HOTGVXAUSA-N 2 1 327.513 1.970 20 0 EDADMP C[NH2+]CCOc1ccccc1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000884180388 598016827 /nfs/dbraw/zinc/01/68/27/598016827.db2.gz WZSKFMXFMNVNKG-MRXNPFEDSA-N 2 1 349.475 1.371 20 0 EDADMP COCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000884186043 598018238 /nfs/dbraw/zinc/01/82/38/598018238.db2.gz OPIJNPSBKVPGEF-QAPCUYQASA-N 2 1 333.476 1.899 20 0 EDADMP [NH3+]CC1(O)CCN(C(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000884346505 598076728 /nfs/dbraw/zinc/07/67/28/598076728.db2.gz NRXOXUOAQBPRLR-LBPRGKRZSA-N 2 1 331.338 1.017 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000914150896 695162380 /nfs/dbraw/zinc/16/23/80/695162380.db2.gz ZKRIEKANMJSKCR-UAGQMJEPSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000914150896 695162382 /nfs/dbraw/zinc/16/23/82/695162382.db2.gz ZKRIEKANMJSKCR-UAGQMJEPSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000914150896 695162383 /nfs/dbraw/zinc/16/23/83/695162383.db2.gz ZKRIEKANMJSKCR-UAGQMJEPSA-N 2 1 336.480 1.166 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)C[NH+]1CCCC1 ZINC000914243823 695303450 /nfs/dbraw/zinc/30/34/50/695303450.db2.gz UTABGROSJMLNEJ-NVXWUHKLSA-N 2 1 338.496 1.271 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000914248758 695310584 /nfs/dbraw/zinc/31/05/84/695310584.db2.gz XKGJRUOXTZWYMC-KRWDZBQOSA-N 2 1 344.463 1.969 20 0 EDADMP C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000914335521 695360372 /nfs/dbraw/zinc/36/03/72/695360372.db2.gz OIOKRHSMNAAHOO-WBVHZDCISA-N 2 1 343.537 1.464 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)NC2C[NH+](CCCC3CCC3)C2)cn1 ZINC001031083770 695491582 /nfs/dbraw/zinc/49/15/82/695491582.db2.gz RTUHCMLGDUNRTI-UHFFFAOYSA-N 2 1 333.480 1.439 20 0 EDADMP CCc1ccc(CN2CCN(C(=O)[C@@]3(C)C[C@@H](O)CN3C)CC2)cc1 ZINC000915042413 695720758 /nfs/dbraw/zinc/72/07/58/695720758.db2.gz YTETXUXVWYCAGT-UYAOXDASSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@H]1CCCN(C(=O)C2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)C1 ZINC000915694425 695972267 /nfs/dbraw/zinc/97/22/67/695972267.db2.gz LEBPLXIHXQILJB-FUHWJXTLSA-N 2 1 337.508 1.414 20 0 EDADMP CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000993366800 696015102 /nfs/dbraw/zinc/01/51/02/696015102.db2.gz PAUSMLNJOGXCBU-JKSUJKDBSA-N 2 1 335.496 1.828 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000993750662 696348430 /nfs/dbraw/zinc/34/84/30/696348430.db2.gz DLJSVQFWMDJSPI-PBHICJAKSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1cnn(C)c1 ZINC000993750662 696348431 /nfs/dbraw/zinc/34/84/31/696348431.db2.gz DLJSVQFWMDJSPI-PBHICJAKSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cncn1C ZINC000993756247 696350743 /nfs/dbraw/zinc/35/07/43/696350743.db2.gz GNLGQIVJBJTFTE-WMLDXEAASA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1cncn1C ZINC000993756247 696350746 /nfs/dbraw/zinc/35/07/46/696350746.db2.gz GNLGQIVJBJTFTE-WMLDXEAASA-N 2 1 333.480 1.231 20 0 EDADMP Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)cn1 ZINC000993758148 696351377 /nfs/dbraw/zinc/35/13/77/696351377.db2.gz ICBFRPIYAJKEAW-KBXCAEBGSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)cn1 ZINC000993758148 696351380 /nfs/dbraw/zinc/35/13/80/696351380.db2.gz ICBFRPIYAJKEAW-KBXCAEBGSA-N 2 1 345.491 1.596 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCCN1Cc1cncn1C ZINC000993801905 696378445 /nfs/dbraw/zinc/37/84/45/696378445.db2.gz DDZBAXBAZFSPKR-NVXWUHKLSA-N 2 1 347.507 1.621 20 0 EDADMP C[NH+](C)CCNC(=S)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000916120232 696623486 /nfs/dbraw/zinc/62/34/86/696623486.db2.gz ZWQONHLAJJNWTH-CQSZACIVSA-N 2 1 328.913 1.968 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000916360504 696655301 /nfs/dbraw/zinc/65/53/01/696655301.db2.gz HWVHMIYKRBZQGJ-GDBMZVCRSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000916360504 696655302 /nfs/dbraw/zinc/65/53/02/696655302.db2.gz HWVHMIYKRBZQGJ-GDBMZVCRSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000916360504 696655303 /nfs/dbraw/zinc/65/53/03/696655303.db2.gz HWVHMIYKRBZQGJ-GDBMZVCRSA-N 2 1 326.485 1.269 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000940008287 700109939 /nfs/dbraw/zinc/10/99/39/700109939.db2.gz HPNSMXSVTYHHIR-HZPDHXFCSA-N 2 1 337.508 1.866 20 0 EDADMP COc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000940008309 700109958 /nfs/dbraw/zinc/10/99/58/700109958.db2.gz IKAKKNJAPOLPSJ-MRXNPFEDSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCc2ccnn2C)[C@H]1C ZINC000994426160 696848676 /nfs/dbraw/zinc/84/86/76/696848676.db2.gz SXMFZSZFIXBPJZ-YOEHRIQHSA-N 2 1 344.463 1.137 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCc2ccnn2C)[C@H]1C ZINC000994426160 696848679 /nfs/dbraw/zinc/84/86/79/696848679.db2.gz SXMFZSZFIXBPJZ-YOEHRIQHSA-N 2 1 344.463 1.137 20 0 EDADMP C[C@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CCC[N@H+]1CCCO ZINC000994482945 696923396 /nfs/dbraw/zinc/92/33/96/696923396.db2.gz FUSDULCCQNPWCZ-YJBOKZPZSA-N 2 1 333.476 1.713 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000917897846 697099638 /nfs/dbraw/zinc/09/96/38/697099638.db2.gz DNJORLPJZFIJNQ-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP CCOC1CC(C[NH+]2CC(NC(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001031438093 697104652 /nfs/dbraw/zinc/10/46/52/697104652.db2.gz SHCVBPLYSVZUBQ-UHFFFAOYSA-N 2 1 345.487 1.977 20 0 EDADMP COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000930112709 697385512 /nfs/dbraw/zinc/38/55/12/697385512.db2.gz GQUNPFVOUJZDMA-SJLPKXTDSA-N 2 1 339.524 1.924 20 0 EDADMP CO[C@H](C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccccc1 ZINC001031681877 697506056 /nfs/dbraw/zinc/50/60/56/697506056.db2.gz NLCRUHCAPAFYNW-ATZDWAIDSA-N 2 1 345.487 1.762 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688880 697527411 /nfs/dbraw/zinc/52/74/11/697527411.db2.gz MYQFIUBRWUAWGA-QZTJIDSGSA-N 2 1 329.444 1.098 20 0 EDADMP CC[N@H+]1C[C@H](C)[C@H](NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000921406544 697594819 /nfs/dbraw/zinc/59/48/19/697594819.db2.gz KOWGEZWKMGSTRW-BHYGNILZSA-N 2 1 333.480 1.714 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2cc(OC)ccn2)C1 ZINC001031711658 697719628 /nfs/dbraw/zinc/71/96/28/697719628.db2.gz JRHVYTHWMJVTLS-GOSISDBHSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)[nH]1 ZINC000940108350 700220765 /nfs/dbraw/zinc/22/07/65/700220765.db2.gz CORUDWRBGRKLPU-HNNXBMFYSA-N 2 1 348.495 1.457 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943513853 698427156 /nfs/dbraw/zinc/42/71/56/698427156.db2.gz ARRZVPYOAUTOGL-NVXWUHKLSA-N 2 1 335.496 1.541 20 0 EDADMP C[C@H]1C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943515484 698429586 /nfs/dbraw/zinc/42/95/86/698429586.db2.gz HIFUZRABAQNYNG-YOEHRIQHSA-N 2 1 333.480 1.295 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ocnc2C)C1 ZINC000995038545 700226870 /nfs/dbraw/zinc/22/68/70/700226870.db2.gz QHSGQQQJQUPZKI-HUUCEWRRSA-N 2 1 331.420 1.563 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)nc1 ZINC000939064050 699131295 /nfs/dbraw/zinc/13/12/95/699131295.db2.gz QBEDCJCXDPTZSI-GOEBONIOSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1cnc(CN[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939128727 699207444 /nfs/dbraw/zinc/20/74/44/699207444.db2.gz OURKDTIUSPQKIP-DZGCQCFKSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc2c([nH]1)CC[C@@H](C(=O)NCC1C[NH+](C[C@@H]3CCCCO3)C1)C2 ZINC001031788965 699240332 /nfs/dbraw/zinc/24/03/32/699240332.db2.gz LGQBWPQJVNCEPB-CVEARBPZSA-N 2 1 346.475 1.440 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000939236551 699405443 /nfs/dbraw/zinc/40/54/43/699405443.db2.gz QEYPSHWIVPDZHK-ZBFHGGJFSA-N 2 1 344.463 1.377 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000939748073 699894665 /nfs/dbraw/zinc/89/46/65/699894665.db2.gz NBPPWCCISHTKCW-BLLLJJGKSA-N 2 1 331.395 1.362 20 0 EDADMP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000939749994 699897359 /nfs/dbraw/zinc/89/73/59/699897359.db2.gz XBCGVITUBDJMTG-CZUORRHYSA-N 2 1 343.431 1.232 20 0 EDADMP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)cn1 ZINC000939757018 699923863 /nfs/dbraw/zinc/92/38/63/699923863.db2.gz WSKYXHMNFICTLJ-RHSMWYFYSA-N 2 1 344.463 1.087 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000940179510 700313344 /nfs/dbraw/zinc/31/33/44/700313344.db2.gz WKKOHYCEPLZIJC-AWEZNQCLSA-N 2 1 335.452 1.333 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1 ZINC000940327812 700505066 /nfs/dbraw/zinc/50/50/66/700505066.db2.gz VHYGIEYFRQDGPA-DZGCQCFKSA-N 2 1 336.505 1.812 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3ccon3)CC2)C1 ZINC000940328907 700507430 /nfs/dbraw/zinc/50/74/30/700507430.db2.gz NAPOMUIXSMYQIE-UHFFFAOYSA-N 2 1 334.464 1.877 20 0 EDADMP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940426734 700620740 /nfs/dbraw/zinc/62/07/40/700620740.db2.gz ZPYQXCVAEMRXGY-INIZCTEOSA-N 2 1 347.507 1.716 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC000940472682 700658124 /nfs/dbraw/zinc/65/81/24/700658124.db2.gz PQJIBJGEQWUBNI-OAHLLOKOSA-N 2 1 348.495 1.458 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940472782 700658202 /nfs/dbraw/zinc/65/82/02/700658202.db2.gz XQNSBZUEEGPGSO-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3C)CC2)on1 ZINC000940461826 700665327 /nfs/dbraw/zinc/66/53/27/700665327.db2.gz MVGALMBRPMFMNF-UHFFFAOYSA-N 2 1 331.420 1.659 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940620741 700781849 /nfs/dbraw/zinc/78/18/49/700781849.db2.gz JOLMTRRWTKONIP-HZPDHXFCSA-N 2 1 333.480 1.231 20 0 EDADMP Cn1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)cn1 ZINC000940620741 700781852 /nfs/dbraw/zinc/78/18/52/700781852.db2.gz JOLMTRRWTKONIP-HZPDHXFCSA-N 2 1 333.480 1.231 20 0 EDADMP Cn1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)cn1 ZINC000940620741 700781854 /nfs/dbraw/zinc/78/18/54/700781854.db2.gz JOLMTRRWTKONIP-HZPDHXFCSA-N 2 1 333.480 1.231 20 0 EDADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C)[NH+]1CCCCC1 ZINC000940748067 700873949 /nfs/dbraw/zinc/87/39/49/700873949.db2.gz UTDCEPLDHWILPK-OAHLLOKOSA-N 2 1 325.497 1.460 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902237 700977068 /nfs/dbraw/zinc/97/70/68/700977068.db2.gz ZTHYAABHKOKQLR-BWRBCVJASA-N 2 1 335.492 1.475 20 0 EDADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902237 700977069 /nfs/dbraw/zinc/97/70/69/700977069.db2.gz ZTHYAABHKOKQLR-BWRBCVJASA-N 2 1 335.492 1.475 20 0 EDADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902237 700977070 /nfs/dbraw/zinc/97/70/70/700977070.db2.gz ZTHYAABHKOKQLR-BWRBCVJASA-N 2 1 335.492 1.475 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940985701 701039848 /nfs/dbraw/zinc/03/98/48/701039848.db2.gz BLYPUCCWBQMJAY-RDJZCZTQSA-N 2 1 348.491 1.617 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940985701 701039850 /nfs/dbraw/zinc/03/98/50/701039850.db2.gz BLYPUCCWBQMJAY-RDJZCZTQSA-N 2 1 348.491 1.617 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ocnc3C)C2)C1 ZINC001031919268 701041484 /nfs/dbraw/zinc/04/14/84/701041484.db2.gz QJAHURLESAGJGE-INIZCTEOSA-N 2 1 334.464 1.653 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ocnc3C)C2)C1 ZINC001031919268 701041486 /nfs/dbraw/zinc/04/14/86/701041486.db2.gz QJAHURLESAGJGE-INIZCTEOSA-N 2 1 334.464 1.653 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000941076286 701103971 /nfs/dbraw/zinc/10/39/71/701103971.db2.gz VPUZEMVBQWVZCU-DLBZAZTESA-N 2 1 339.524 1.848 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941076286 701103972 /nfs/dbraw/zinc/10/39/72/701103972.db2.gz VPUZEMVBQWVZCU-DLBZAZTESA-N 2 1 339.524 1.848 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941076286 701103973 /nfs/dbraw/zinc/10/39/73/701103973.db2.gz VPUZEMVBQWVZCU-DLBZAZTESA-N 2 1 339.524 1.848 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999169099 706597482 /nfs/dbraw/zinc/59/74/82/706597482.db2.gz DBCALYPBJXGMLA-CVEARBPZSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)on1 ZINC000941167300 701378438 /nfs/dbraw/zinc/37/84/38/701378438.db2.gz SQDGYCSIAZMHFY-INIZCTEOSA-N 2 1 346.475 1.796 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)ncn1 ZINC000941221647 701412598 /nfs/dbraw/zinc/41/25/98/701412598.db2.gz ZNLUHQQQNXBUDE-QGZVFWFLSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC000999172094 706603038 /nfs/dbraw/zinc/60/30/38/706603038.db2.gz ZWZLKKVLWXTDPQ-HUUCEWRRSA-N 2 1 349.504 1.269 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3cccc(C)c3)C2)C1 ZINC001032197806 701745571 /nfs/dbraw/zinc/74/55/71/701745571.db2.gz WRYCGOQQXOPWLD-QFBILLFUSA-N 2 1 345.487 1.825 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3cccc(C)c3)C2)C1 ZINC001032197806 701745580 /nfs/dbraw/zinc/74/55/80/701745580.db2.gz WRYCGOQQXOPWLD-QFBILLFUSA-N 2 1 345.487 1.825 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128628 701794068 /nfs/dbraw/zinc/79/40/68/701794068.db2.gz IILAHYHIJJMEMI-HZPDHXFCSA-N 2 1 334.464 1.651 20 0 EDADMP Cn1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)cn1 ZINC001032129060 701807579 /nfs/dbraw/zinc/80/75/79/701807579.db2.gz PQNNQQAAVOLVON-SJORKVTESA-N 2 1 333.480 1.089 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130182 701836409 /nfs/dbraw/zinc/83/64/09/701836409.db2.gz HCJWTTPFYRSZRX-UHFFFAOYSA-N 2 1 334.489 1.404 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCCc2ccccc2)C1 ZINC001031975940 701932318 /nfs/dbraw/zinc/93/23/18/701932318.db2.gz CBPDWNBEPBIHMF-VQIMIIECSA-N 2 1 329.488 1.865 20 0 EDADMP Cc1ncsc1CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976976 702005655 /nfs/dbraw/zinc/00/56/55/702005655.db2.gz UQXCYGQDRZLMNC-SWLSCSKDSA-N 2 1 336.505 1.240 20 0 EDADMP CCc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)c1 ZINC001031977211 702014412 /nfs/dbraw/zinc/01/44/12/702014412.db2.gz AWKIEIOQKGAYMO-DNVCBOLYSA-N 2 1 329.488 1.995 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)oc1C ZINC000999190480 706633022 /nfs/dbraw/zinc/63/30/22/706633022.db2.gz RTDWQMKSGNRWMP-VNQPRFMTSA-N 2 1 334.464 1.712 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)oc1C ZINC000999190480 706633025 /nfs/dbraw/zinc/63/30/25/706633025.db2.gz RTDWQMKSGNRWMP-VNQPRFMTSA-N 2 1 334.464 1.712 20 0 EDADMP Cc1ccncc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999191296 706634056 /nfs/dbraw/zinc/63/40/56/706634056.db2.gz XEROIDKULGHWLU-BPQIPLTHSA-N 2 1 330.476 1.811 20 0 EDADMP CC[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1)OC ZINC001031977712 702031848 /nfs/dbraw/zinc/03/18/48/702031848.db2.gz HDIYHQBBADDHMT-WBVHZDCISA-N 2 1 334.464 1.227 20 0 EDADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C)c1ncccn1 ZINC000995889582 702230176 /nfs/dbraw/zinc/23/01/76/702230176.db2.gz WWCXMDQXNDEIGD-LSDHHAIUSA-N 2 1 345.491 1.849 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@@H]1[NH2+]CCF ZINC000995891183 702233511 /nfs/dbraw/zinc/23/35/11/702233511.db2.gz CPNFTUQTHLVDMX-HOTGVXAUSA-N 2 1 341.471 1.426 20 0 EDADMP CCn1nncc1C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995920212 702241357 /nfs/dbraw/zinc/24/13/57/702241357.db2.gz TZIJQLWQENEBBD-INIZCTEOSA-N 2 1 348.495 1.109 20 0 EDADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2(C)C)nn1 ZINC000995911877 702269351 /nfs/dbraw/zinc/26/93/51/702269351.db2.gz BCWFUELSWXKJHC-JKSUJKDBSA-N 2 1 348.495 1.016 20 0 EDADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2(C)C)nn1 ZINC000995911877 702269355 /nfs/dbraw/zinc/26/93/55/702269355.db2.gz BCWFUELSWXKJHC-JKSUJKDBSA-N 2 1 348.495 1.016 20 0 EDADMP Cn1cncc1C[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995912502 702270935 /nfs/dbraw/zinc/27/09/35/702270935.db2.gz FMEVQZPIZXXRLG-RDJZCZTQSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1ccccc1CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186574 702275589 /nfs/dbraw/zinc/27/55/89/702275589.db2.gz SAFZJCJMWYBQQR-LJQANCHMSA-N 2 1 329.488 1.927 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC([NH2+]Cc2cnsn2)C1 ZINC000999222481 706656036 /nfs/dbraw/zinc/65/60/36/706656036.db2.gz HNYNPCUMOBZGKA-UHFFFAOYSA-N 2 1 337.493 1.492 20 0 EDADMP CCc1ccc([C@@H](O)C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032185661 702303422 /nfs/dbraw/zinc/30/34/22/702303422.db2.gz AVSCXIKZYWMPRP-MOPGFXCFSA-N 2 1 345.487 1.282 20 0 EDADMP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)ccc1C ZINC001032186132 702316846 /nfs/dbraw/zinc/31/68/46/702316846.db2.gz JAQFPTUDFCNSEK-QGZVFWFLSA-N 2 1 331.460 1.503 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)no1 ZINC000944152908 702439924 /nfs/dbraw/zinc/43/99/24/702439924.db2.gz FCRADFKMUPGUSA-CZUORRHYSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)no1 ZINC000944152908 702439926 /nfs/dbraw/zinc/43/99/26/702439926.db2.gz FCRADFKMUPGUSA-CZUORRHYSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995199323 702481838 /nfs/dbraw/zinc/48/18/38/702481838.db2.gz POAUKMDYUIRMEG-RDJZCZTQSA-N 2 1 344.463 1.308 20 0 EDADMP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)no1 ZINC000995205438 702623955 /nfs/dbraw/zinc/62/39/55/702623955.db2.gz ZSZGQQQMLOWHLS-HUUCEWRRSA-N 2 1 331.420 1.563 20 0 EDADMP CCn1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)n1 ZINC000996293126 702685209 /nfs/dbraw/zinc/68/52/09/702685209.db2.gz BJEAMZSUJIMUES-GOEBONIOSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)n1 ZINC000996293126 702685211 /nfs/dbraw/zinc/68/52/11/702685211.db2.gz BJEAMZSUJIMUES-GOEBONIOSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996293110 702685283 /nfs/dbraw/zinc/68/52/83/702685283.db2.gz BIDQPCJVUBZTTF-BBRMVZONSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996293191 702685751 /nfs/dbraw/zinc/68/57/51/702685751.db2.gz BPLGOSHQZUILSK-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300257 702691781 /nfs/dbraw/zinc/69/17/81/702691781.db2.gz KZFURTCQFQLTFD-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300257 702691782 /nfs/dbraw/zinc/69/17/82/702691782.db2.gz KZFURTCQFQLTFD-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300957 702692765 /nfs/dbraw/zinc/69/27/65/702692765.db2.gz POHULGRCWUKCAI-GUYCJALGSA-N 2 1 348.491 1.960 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]CC3CCOCC3)C(C)(C)C2)C1 ZINC000996302607 702694586 /nfs/dbraw/zinc/69/45/86/702694586.db2.gz XWQSVXVFUSTJJE-DOTOQJQBSA-N 2 1 337.508 1.581 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]C[C@@H]3CCOC3)C(C)(C)C2)C1 ZINC000996311182 702700474 /nfs/dbraw/zinc/70/04/74/702700474.db2.gz QHSYZGPVSPOIGL-JKSUJKDBSA-N 2 1 337.508 1.581 20 0 EDADMP C[C@@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675684 706695032 /nfs/dbraw/zinc/69/50/32/706695032.db2.gz HSGXNWWYJRGXJY-KBMXLJTQSA-N 2 1 337.443 1.092 20 0 EDADMP C[C@H](O)C[NH2+][C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1(C)C ZINC000996459266 702803498 /nfs/dbraw/zinc/80/34/98/702803498.db2.gz BOLOXQYWLNPGCF-BBRMVZONSA-N 2 1 343.431 1.088 20 0 EDADMP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996503208 702825150 /nfs/dbraw/zinc/82/51/50/702825150.db2.gz YMPZABBJZUFQCW-WMZOPIPTSA-N 2 1 345.491 1.338 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996519685 702855626 /nfs/dbraw/zinc/85/56/26/702855626.db2.gz QFZZUHOQUGXBBN-CVEARBPZSA-N 2 1 347.507 1.571 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996521403 702857303 /nfs/dbraw/zinc/85/73/03/702857303.db2.gz VRZWPHCXZZCDRU-HOCLYGCPSA-N 2 1 348.491 1.905 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996521403 702857306 /nfs/dbraw/zinc/85/73/06/702857306.db2.gz VRZWPHCXZZCDRU-HOCLYGCPSA-N 2 1 348.491 1.905 20 0 EDADMP CC(C)n1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)nn1 ZINC000996608069 702910945 /nfs/dbraw/zinc/91/09/45/702910945.db2.gz AYDTVPLUDONXIX-MRXNPFEDSA-N 2 1 348.495 1.281 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ncnn3CC)CC2)CC[N@H+]1C ZINC000996603530 702913038 /nfs/dbraw/zinc/91/30/38/702913038.db2.gz OMJONJKFKLFLAT-JKSUJKDBSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)nc1 ZINC000996610842 702916016 /nfs/dbraw/zinc/91/60/16/702916016.db2.gz KWDJOVPXWQOGBE-HUUCEWRRSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)nc1 ZINC000996610842 702916018 /nfs/dbraw/zinc/91/60/18/702916018.db2.gz KWDJOVPXWQOGBE-HUUCEWRRSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]C[C@@H]2CCCCO2)C(C)(C)C1 ZINC000996611782 702917127 /nfs/dbraw/zinc/91/71/27/702917127.db2.gz PGACXIIWDNBWFT-HOTGVXAUSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996625400 702929023 /nfs/dbraw/zinc/92/90/23/702929023.db2.gz RVLOJYRDZLREMH-MRXNPFEDSA-N 2 1 327.432 1.613 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000996662149 702959645 /nfs/dbraw/zinc/95/96/45/702959645.db2.gz PINMGCMARQHOCF-SFHVURJKSA-N 2 1 347.507 1.684 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996677476 702976446 /nfs/dbraw/zinc/97/64/46/702976446.db2.gz KFJCBURPTLIWCN-NVXWUHKLSA-N 2 1 346.475 1.768 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000996680122 702978953 /nfs/dbraw/zinc/97/89/53/702978953.db2.gz SQAVDACTLNCAAH-IRXDYDNUSA-N 2 1 346.475 1.910 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000996681304 702979760 /nfs/dbraw/zinc/97/97/60/702979760.db2.gz YZPCJZMFSLLVSN-QGZVFWFLSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1C ZINC000942518516 703020148 /nfs/dbraw/zinc/02/01/48/703020148.db2.gz SQTIIVJAFKRHAX-PXAZEXFGSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1C ZINC000942518516 703020152 /nfs/dbraw/zinc/02/01/52/703020152.db2.gz SQTIIVJAFKRHAX-PXAZEXFGSA-N 2 1 345.447 1.823 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nncn2C)CC1 ZINC000996755373 703044153 /nfs/dbraw/zinc/04/41/53/703044153.db2.gz CGLWHEZZEZYULR-MRXNPFEDSA-N 2 1 348.495 1.016 20 0 EDADMP CCN1CC[NH+](C2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC000996789979 703082327 /nfs/dbraw/zinc/08/23/27/703082327.db2.gz TXMHOBBGKGPXND-WWDZGPRUSA-N 2 1 336.524 1.536 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000996799962 703086206 /nfs/dbraw/zinc/08/62/06/703086206.db2.gz CMMRBRUCZLARKG-UHFFFAOYSA-N 2 1 343.431 1.838 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2nc(C)oc2C)CC1 ZINC000996801669 703087702 /nfs/dbraw/zinc/08/77/02/703087702.db2.gz MISMJKACJNBYSL-UHFFFAOYSA-N 2 1 331.420 1.577 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598395 703113194 /nfs/dbraw/zinc/11/31/94/703113194.db2.gz WYBYWZUVICXZTA-SCLBCKFNSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042446 703200489 /nfs/dbraw/zinc/20/04/89/703200489.db2.gz AINYEHHTFVAACN-IEBWSBKVSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032042446 703200490 /nfs/dbraw/zinc/20/04/90/703200490.db2.gz AINYEHHTFVAACN-IEBWSBKVSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042864 703208826 /nfs/dbraw/zinc/20/88/26/703208826.db2.gz MLWKOZLVHLYGMY-WMZOPIPTSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032042864 703208827 /nfs/dbraw/zinc/20/88/27/703208827.db2.gz MLWKOZLVHLYGMY-WMZOPIPTSA-N 2 1 346.475 1.856 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942719459 703234015 /nfs/dbraw/zinc/23/40/15/703234015.db2.gz FWTVUGHHEBFFMZ-QFBILLFUSA-N 2 1 347.503 1.877 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)cn1 ZINC000996999074 703255916 /nfs/dbraw/zinc/25/59/16/703255916.db2.gz LTYZAMLFPFLELB-CQSZACIVSA-N 2 1 331.464 1.350 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000996996867 703260284 /nfs/dbraw/zinc/26/02/84/703260284.db2.gz AGSAKRFILKEKQI-CQSZACIVSA-N 2 1 334.439 1.643 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3nnc(C4CC4)[nH]3)CC2)C1 ZINC000997007229 703264456 /nfs/dbraw/zinc/26/44/56/703264456.db2.gz PEZVJDJUXIQVTR-CYBMUJFWSA-N 2 1 346.479 1.105 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)nn1C ZINC000997007097 703264592 /nfs/dbraw/zinc/26/45/92/703264592.db2.gz OKLJJTWSJXXLPB-AWEZNQCLSA-N 2 1 333.480 1.151 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000997008506 703266607 /nfs/dbraw/zinc/26/66/07/703266607.db2.gz MXOZRZGREDDAJR-KDOFPFPSSA-N 2 1 345.491 1.108 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000997092165 703338402 /nfs/dbraw/zinc/33/84/02/703338402.db2.gz BLTCPNDINCLXTD-FGTMMUONSA-N 2 1 349.519 1.726 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1csnn1 ZINC000997182012 703466835 /nfs/dbraw/zinc/46/68/35/703466835.db2.gz FQKNJDSGOOANKG-STQMWFEESA-N 2 1 337.493 1.522 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000997185076 703473866 /nfs/dbraw/zinc/47/38/66/703473866.db2.gz BTFXFDKRRAZJQO-GFCCVEGCSA-N 2 1 333.436 1.115 20 0 EDADMP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997185140 703473943 /nfs/dbraw/zinc/47/39/43/703473943.db2.gz QMKRCYZZQDRJHS-HNNXBMFYSA-N 2 1 348.491 1.968 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997185123 703473988 /nfs/dbraw/zinc/47/39/88/703473988.db2.gz QAKZQWIQXSSPFS-OAHLLOKOSA-N 2 1 331.464 1.207 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC[NH+](CC2CC2)CC1 ZINC000997229222 703504890 /nfs/dbraw/zinc/50/48/90/703504890.db2.gz VAPPKROVWUIGJJ-JWPJJUSYSA-N 2 1 347.503 1.476 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2coc(C)n2)CC1 ZINC000997366347 703600265 /nfs/dbraw/zinc/60/02/65/703600265.db2.gz DBTPZGIAHXHGLV-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)nc2)CC1 ZINC000997366630 703600441 /nfs/dbraw/zinc/60/04/41/703600441.db2.gz IBNGLBSVLADHLV-SFHVURJKSA-N 2 1 345.491 1.740 20 0 EDADMP CC(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001032443769 703620599 /nfs/dbraw/zinc/62/05/99/703620599.db2.gz CBSCHWNRFZKVIP-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032443769 703620601 /nfs/dbraw/zinc/62/06/01/703620601.db2.gz CBSCHWNRFZKVIP-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001032443769 703620603 /nfs/dbraw/zinc/62/06/03/703620603.db2.gz CBSCHWNRFZKVIP-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccns2)CC1 ZINC000997516611 703765665 /nfs/dbraw/zinc/76/56/65/703765665.db2.gz SLEOHOULTBTCQK-XJKSGUPXSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(Cc2nccn2C)CC1 ZINC000997596768 703890395 /nfs/dbraw/zinc/89/03/95/703890395.db2.gz OCIRYXXYCBBEBH-ZMSDIMECSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997596768 703890397 /nfs/dbraw/zinc/89/03/97/703890397.db2.gz OCIRYXXYCBBEBH-ZMSDIMECSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997596768 703890399 /nfs/dbraw/zinc/89/03/99/703890399.db2.gz OCIRYXXYCBBEBH-ZMSDIMECSA-N 2 1 347.507 1.477 20 0 EDADMP CCCn1ncnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997607731 703904633 /nfs/dbraw/zinc/90/46/33/703904633.db2.gz QBQZSHWQJVLHHT-INIZCTEOSA-N 2 1 348.495 1.111 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)s1 ZINC000997615778 703914751 /nfs/dbraw/zinc/91/47/51/703914751.db2.gz WWEALIKUZQMLSI-HNNXBMFYSA-N 2 1 336.505 1.874 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001004204690 703943852 /nfs/dbraw/zinc/94/38/52/703943852.db2.gz TZNHZKCKPHQMAM-GASCZTMLSA-N 2 1 333.480 1.374 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001004204690 703943857 /nfs/dbraw/zinc/94/38/57/703943857.db2.gz TZNHZKCKPHQMAM-GASCZTMLSA-N 2 1 333.480 1.374 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922547143 703953608 /nfs/dbraw/zinc/95/36/08/703953608.db2.gz OVLXGSJBROVWMB-XHSDSOJGSA-N 2 1 342.553 1.986 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922547143 703953610 /nfs/dbraw/zinc/95/36/10/703953610.db2.gz OVLXGSJBROVWMB-XHSDSOJGSA-N 2 1 342.553 1.986 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000922547143 703953615 /nfs/dbraw/zinc/95/36/15/703953615.db2.gz OVLXGSJBROVWMB-XHSDSOJGSA-N 2 1 342.553 1.986 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCCOC1 ZINC001032520627 703961512 /nfs/dbraw/zinc/96/15/12/703961512.db2.gz ADBXLLJUBKJGEC-JLSDUUJJSA-N 2 1 340.427 1.660 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033074578 704118049 /nfs/dbraw/zinc/11/80/49/704118049.db2.gz BFMRIYVUEHEJAH-KRWDZBQOSA-N 2 1 347.507 1.717 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033074578 704118050 /nfs/dbraw/zinc/11/80/50/704118050.db2.gz BFMRIYVUEHEJAH-KRWDZBQOSA-N 2 1 347.507 1.717 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082205 704138591 /nfs/dbraw/zinc/13/85/91/704138591.db2.gz PBJWNBGKPTXKJM-HOTGVXAUSA-N 2 1 348.516 1.826 20 0 EDADMP CC[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1)OC ZINC001032711199 706804728 /nfs/dbraw/zinc/80/47/28/706804728.db2.gz LOWHQVMLAIZXMR-BZSNNMDCSA-N 2 1 337.508 1.817 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000999301790 706804932 /nfs/dbraw/zinc/80/49/32/706804932.db2.gz CHFGPVRYQOFGMU-RDJZCZTQSA-N 2 1 333.480 1.375 20 0 EDADMP CC(C)=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001004382185 704361051 /nfs/dbraw/zinc/36/10/51/704361051.db2.gz VMEDZYULFZNSJS-RBUKOAKNSA-N 2 1 349.519 1.986 20 0 EDADMP CC(C)=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001004382185 704361054 /nfs/dbraw/zinc/36/10/54/704361054.db2.gz VMEDZYULFZNSJS-RBUKOAKNSA-N 2 1 349.519 1.986 20 0 EDADMP CC(C)=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004382185 704361057 /nfs/dbraw/zinc/36/10/57/704361057.db2.gz VMEDZYULFZNSJS-RBUKOAKNSA-N 2 1 349.519 1.986 20 0 EDADMP CC(C)=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004382185 704361060 /nfs/dbraw/zinc/36/10/60/704361060.db2.gz VMEDZYULFZNSJS-RBUKOAKNSA-N 2 1 349.519 1.986 20 0 EDADMP C[N@@H+](CCCCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1)C1CC1 ZINC000922810250 704377642 /nfs/dbraw/zinc/37/76/42/704377642.db2.gz OPGWLBUPRTVBKU-QGZVFWFLSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](CCCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)C1CC1 ZINC000922810250 704377643 /nfs/dbraw/zinc/37/76/43/704377643.db2.gz OPGWLBUPRTVBKU-QGZVFWFLSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](CCCCNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)C1CC1 ZINC000922810250 704377644 /nfs/dbraw/zinc/37/76/44/704377644.db2.gz OPGWLBUPRTVBKU-QGZVFWFLSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCC1CCOCC1 ZINC000947933400 704554158 /nfs/dbraw/zinc/55/41/58/704554158.db2.gz AAOJJZUHXHONKU-AEFFLSMTSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CCC3CCCC3)C(C)(C)C2)C1 ZINC000995593878 704560340 /nfs/dbraw/zinc/56/03/40/704560340.db2.gz BLJKPHZLDRIWSB-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CCC3CCCC3)C(C)(C)C2)C1 ZINC000995593878 704560341 /nfs/dbraw/zinc/56/03/41/704560341.db2.gz BLJKPHZLDRIWSB-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccsc3)C(C)(C)C2)C1 ZINC000995594810 704561706 /nfs/dbraw/zinc/56/17/06/704561706.db2.gz CLEJRDVLKWGAOT-LSDHHAIUSA-N 2 1 337.489 1.405 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccsc3)C(C)(C)C2)C1 ZINC000995594810 704561708 /nfs/dbraw/zinc/56/17/08/704561708.db2.gz CLEJRDVLKWGAOT-LSDHHAIUSA-N 2 1 337.489 1.405 20 0 EDADMP Cc1cncc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2(C)C)c1 ZINC000995609446 704575109 /nfs/dbraw/zinc/57/51/09/704575109.db2.gz XQJZWCSIYORBMB-SJORKVTESA-N 2 1 346.475 1.047 20 0 EDADMP Cc1cncc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2(C)C)c1 ZINC000995609446 704575110 /nfs/dbraw/zinc/57/51/10/704575110.db2.gz XQJZWCSIYORBMB-SJORKVTESA-N 2 1 346.475 1.047 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997831520 704749866 /nfs/dbraw/zinc/74/98/66/704749866.db2.gz UQXXRHFBUZFUQE-IAGOWNOFSA-N 2 1 346.475 1.625 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]Cc2ccns2)CC1)C1CCC1 ZINC000997831018 704751508 /nfs/dbraw/zinc/75/15/08/704751508.db2.gz OPVOZKLVAVJDRW-UHFFFAOYSA-N 2 1 336.505 1.956 20 0 EDADMP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997837466 704755410 /nfs/dbraw/zinc/75/54/10/704755410.db2.gz TXRXETKTHXVJSW-HNNXBMFYSA-N 2 1 345.491 1.233 20 0 EDADMP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1)[NH+](C)C ZINC000997854449 704766330 /nfs/dbraw/zinc/76/63/30/704766330.db2.gz DYTXDQSVWSPMLH-CQSZACIVSA-N 2 1 325.482 1.207 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997859271 704768267 /nfs/dbraw/zinc/76/82/67/704768267.db2.gz KNZRDTJDIFMVPE-IRXDYDNUSA-N 2 1 347.463 1.415 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997860457 704769327 /nfs/dbraw/zinc/76/93/27/704769327.db2.gz HNWLYZFFJSNSNL-YOEHRIQHSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1nonc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997863677 704771100 /nfs/dbraw/zinc/77/11/00/704771100.db2.gz DDEUCNGJIIXLHI-MRXNPFEDSA-N 2 1 335.452 1.191 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997861437 704771872 /nfs/dbraw/zinc/77/18/72/704771872.db2.gz RZMLQVJJCUHSGW-HOCLYGCPSA-N 2 1 333.480 1.089 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997874802 704779596 /nfs/dbraw/zinc/77/95/96/704779596.db2.gz RGLRZPDHXMXQBU-DOTOQJQBSA-N 2 1 325.497 1.460 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944964504 704832578 /nfs/dbraw/zinc/83/25/78/704832578.db2.gz IUEKDKZYPZYBEN-SJCJKPOMSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944964504 704832582 /nfs/dbraw/zinc/83/25/82/704832582.db2.gz IUEKDKZYPZYBEN-SJCJKPOMSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1nccn1CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1C ZINC000944966021 704837915 /nfs/dbraw/zinc/83/79/15/704837915.db2.gz WVXQLCBOTWQCFH-YOEHRIQHSA-N 2 1 327.432 1.613 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1C ZINC000944966021 704837926 /nfs/dbraw/zinc/83/79/26/704837926.db2.gz WVXQLCBOTWQCFH-YOEHRIQHSA-N 2 1 327.432 1.613 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCCN(Cc2cnn(C)n2)CC1 ZINC000997951669 705070122 /nfs/dbraw/zinc/07/01/22/705070122.db2.gz YTINSDZNNNUOBI-SJORKVTESA-N 2 1 348.495 1.112 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC000997951135 705077642 /nfs/dbraw/zinc/07/76/42/705077642.db2.gz VOBRTZRTZSYJDB-SJLPKXTDSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2ccnn2C)CC1 ZINC000997951135 705077645 /nfs/dbraw/zinc/07/76/45/705077645.db2.gz VOBRTZRTZSYJDB-SJLPKXTDSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2ccnn2C)CC1 ZINC000997951135 705077648 /nfs/dbraw/zinc/07/76/48/705077648.db2.gz VOBRTZRTZSYJDB-SJLPKXTDSA-N 2 1 347.507 1.717 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)n1 ZINC000998003909 705164727 /nfs/dbraw/zinc/16/47/27/705164727.db2.gz FCZWOVCCJBQPBD-BBRMVZONSA-N 2 1 349.479 1.437 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)n1 ZINC000998003909 705164730 /nfs/dbraw/zinc/16/47/30/705164730.db2.gz FCZWOVCCJBQPBD-BBRMVZONSA-N 2 1 349.479 1.437 20 0 EDADMP CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000998043122 705238448 /nfs/dbraw/zinc/23/84/48/705238448.db2.gz XAACPMQHPJKKGH-ARFHVFGLSA-N 2 1 334.464 1.599 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1)c1ncccn1 ZINC000998081201 705301069 /nfs/dbraw/zinc/30/10/69/705301069.db2.gz GSQDBDXXZKDCHF-CVEARBPZSA-N 2 1 345.491 1.850 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998080213 705305312 /nfs/dbraw/zinc/30/53/12/705305312.db2.gz YQBRDFZUBXQTDZ-WFASDCNBSA-N 2 1 337.493 1.064 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000998083023 705310703 /nfs/dbraw/zinc/31/07/03/705310703.db2.gz SVQMVYJOZQADFF-HNNXBMFYSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000998083905 705313775 /nfs/dbraw/zinc/31/37/75/705313775.db2.gz YKDDRYWYBMVOLA-HNNXBMFYSA-N 2 1 347.507 1.399 20 0 EDADMP CCN(C(=O)[C@H]1CCCc2nc[nH]c21)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998115367 705360357 /nfs/dbraw/zinc/36/03/57/705360357.db2.gz IIBPVWLNYNDWLW-GJZGRUSLSA-N 2 1 334.464 1.525 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)n1 ZINC001032603045 705421886 /nfs/dbraw/zinc/42/18/86/705421886.db2.gz MPQFCTFVVNJIMW-ROUUACIJSA-N 2 1 345.491 1.127 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)n1 ZINC001032603045 705421890 /nfs/dbraw/zinc/42/18/90/705421890.db2.gz MPQFCTFVVNJIMW-ROUUACIJSA-N 2 1 345.491 1.127 20 0 EDADMP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998216758 705538511 /nfs/dbraw/zinc/53/85/11/705538511.db2.gz KMJVZEYLGHSLNZ-XJKSGUPXSA-N 2 1 349.479 1.609 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000998269957 705647176 /nfs/dbraw/zinc/64/71/76/705647176.db2.gz SEQQJRGVXVDJSM-UHFFFAOYSA-N 2 1 327.432 1.615 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(CO)cc2)C1 ZINC001032627690 705736939 /nfs/dbraw/zinc/73/69/39/705736939.db2.gz FNMICROLMJBULZ-SNRMKQJTSA-N 2 1 343.471 1.306 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(CO)cc2)C1 ZINC001032627690 705736940 /nfs/dbraw/zinc/73/69/40/705736940.db2.gz FNMICROLMJBULZ-SNRMKQJTSA-N 2 1 343.471 1.306 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(CO)cc2)C1 ZINC001032627690 705736945 /nfs/dbraw/zinc/73/69/45/705736945.db2.gz FNMICROLMJBULZ-SNRMKQJTSA-N 2 1 343.471 1.306 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(CO)cc2)C1 ZINC001032627690 705736947 /nfs/dbraw/zinc/73/69/47/705736947.db2.gz FNMICROLMJBULZ-SNRMKQJTSA-N 2 1 343.471 1.306 20 0 EDADMP CCOc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000998548927 705984649 /nfs/dbraw/zinc/98/46/49/705984649.db2.gz IQAZQRWMKJRWOD-OFLPRAFFSA-N 2 1 346.475 1.654 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)ccn1 ZINC000998549241 705985195 /nfs/dbraw/zinc/98/51/95/705985195.db2.gz KSHHSRQBOKOLSN-GPANFISMSA-N 2 1 332.448 1.263 20 0 EDADMP Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998582780 706019084 /nfs/dbraw/zinc/01/90/84/706019084.db2.gz KPPJPMGGJKNACT-DAWZGUTISA-N 2 1 331.460 1.405 20 0 EDADMP Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998582780 706019087 /nfs/dbraw/zinc/01/90/87/706019087.db2.gz KPPJPMGGJKNACT-DAWZGUTISA-N 2 1 331.460 1.405 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cs1 ZINC000998586227 706024824 /nfs/dbraw/zinc/02/48/24/706024824.db2.gz OXBPTSIZVUSUCQ-UYSNPLJNSA-N 2 1 337.489 1.466 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cs1 ZINC000998586227 706024825 /nfs/dbraw/zinc/02/48/25/706024825.db2.gz OXBPTSIZVUSUCQ-UYSNPLJNSA-N 2 1 337.489 1.466 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000998722085 706153818 /nfs/dbraw/zinc/15/38/18/706153818.db2.gz ODRONNFDSYLMEO-HUUCEWRRSA-N 2 1 336.867 1.910 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC000998724542 706156320 /nfs/dbraw/zinc/15/63/20/706156320.db2.gz UNKTWHXDBSBZCR-HZPDHXFCSA-N 2 1 332.448 1.265 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000998733854 706167452 /nfs/dbraw/zinc/16/74/52/706167452.db2.gz UQONELQCTRAWOA-IRXDYDNUSA-N 2 1 347.507 1.813 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CC3CC(F)(F)C3)C2)CC[N@H+]1C ZINC000998791048 706237992 /nfs/dbraw/zinc/23/79/92/706237992.db2.gz GVMTXQJTFLXFIM-GALLPEHLSA-N 2 1 329.435 1.951 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nccn3C)C2)CC[N@H+]1C ZINC000998795578 706242715 /nfs/dbraw/zinc/24/27/15/706242715.db2.gz ZXFJSPXGEUTHDJ-SSHXOBKSSA-N 2 1 333.480 1.229 20 0 EDADMP Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998813601 706256463 /nfs/dbraw/zinc/25/64/63/706256463.db2.gz WKAZJYKNYIEZIU-ZWKOTPCHSA-N 2 1 331.460 1.406 20 0 EDADMP Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998813601 706256464 /nfs/dbraw/zinc/25/64/64/706256464.db2.gz WKAZJYKNYIEZIU-ZWKOTPCHSA-N 2 1 331.460 1.406 20 0 EDADMP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCc4[nH+]ccn43)C2)o1 ZINC000998899135 706327009 /nfs/dbraw/zinc/32/70/09/706327009.db2.gz BHLNHJUWCHTCBU-ZBCRRDGASA-N 2 1 343.431 1.836 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC000998901628 706338611 /nfs/dbraw/zinc/33/86/11/706338611.db2.gz PXPPJGUQPLHGCQ-HWOWSKLDSA-N 2 1 349.479 1.720 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC000998901628 706338613 /nfs/dbraw/zinc/33/86/13/706338613.db2.gz PXPPJGUQPLHGCQ-HWOWSKLDSA-N 2 1 349.479 1.720 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC(NCc2cnon2)C1 ZINC000998902803 706339733 /nfs/dbraw/zinc/33/97/33/706339733.db2.gz YLIRSOQBXKORLN-QWFMPGPPSA-N 2 1 347.463 1.556 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC([NH2+]Cc2cnon2)C1 ZINC000998902803 706339736 /nfs/dbraw/zinc/33/97/36/706339736.db2.gz YLIRSOQBXKORLN-QWFMPGPPSA-N 2 1 347.463 1.556 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC([NH2+]Cc2cnon2)C1 ZINC000998902803 706339740 /nfs/dbraw/zinc/33/97/40/706339740.db2.gz YLIRSOQBXKORLN-QWFMPGPPSA-N 2 1 347.463 1.556 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC000998994852 706412149 /nfs/dbraw/zinc/41/21/49/706412149.db2.gz LMVRZRSFSDJJMU-NRXISQOPSA-N 2 1 346.479 1.245 20 0 EDADMP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000998995733 706413328 /nfs/dbraw/zinc/41/33/28/706413328.db2.gz UFUFAQRBPCCDQY-DQPZFDDXSA-N 2 1 334.464 1.800 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)o1 ZINC000999035264 706450040 /nfs/dbraw/zinc/45/00/40/706450040.db2.gz KGFFGJBWODPQSN-GPANFISMSA-N 2 1 349.479 1.577 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)o1 ZINC000999035264 706450042 /nfs/dbraw/zinc/45/00/42/706450042.db2.gz KGFFGJBWODPQSN-GPANFISMSA-N 2 1 349.479 1.577 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)s1 ZINC000999126422 706550850 /nfs/dbraw/zinc/55/08/50/706550850.db2.gz NHZXTHZIPWIMLS-UHFFFAOYSA-N 2 1 333.461 1.736 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999142908 706556113 /nfs/dbraw/zinc/55/61/13/706556113.db2.gz DEBLJTJVHILPPZ-JKSUJKDBSA-N 2 1 331.464 1.430 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999142908 706556116 /nfs/dbraw/zinc/55/61/16/706556116.db2.gz DEBLJTJVHILPPZ-JKSUJKDBSA-N 2 1 331.464 1.430 20 0 EDADMP Cc1nonc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518153 706575009 /nfs/dbraw/zinc/57/50/09/706575009.db2.gz OTWHORLMBQTIFU-HLLBOEOZSA-N 2 1 347.463 1.143 20 0 EDADMP Cc1nonc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518153 706575010 /nfs/dbraw/zinc/57/50/10/706575010.db2.gz OTWHORLMBQTIFU-HLLBOEOZSA-N 2 1 347.463 1.143 20 0 EDADMP Cc1nonc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518153 706575011 /nfs/dbraw/zinc/57/50/11/706575011.db2.gz OTWHORLMBQTIFU-HLLBOEOZSA-N 2 1 347.463 1.143 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2nncn2C)C1 ZINC000999354162 706843104 /nfs/dbraw/zinc/84/31/04/706843104.db2.gz PJKLKSVTHDUJIW-HOTGVXAUSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2nncn2C)C1 ZINC000999354162 706843106 /nfs/dbraw/zinc/84/31/06/706843106.db2.gz PJKLKSVTHDUJIW-HOTGVXAUSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccn(C)n3)C2)C1 ZINC000999349839 706862267 /nfs/dbraw/zinc/86/22/67/706862267.db2.gz VKRONHHYTITRNW-FUHWJXTLSA-N 2 1 347.507 1.479 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1)C1CCC1 ZINC000999379467 706873427 /nfs/dbraw/zinc/87/34/27/706873427.db2.gz RPPRPBILSXABLV-IEBWSBKVSA-N 2 1 345.487 1.785 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)nn1C ZINC000999398037 706892348 /nfs/dbraw/zinc/89/23/48/706892348.db2.gz BBDUTQRSTVDNJP-FUHWJXTLSA-N 2 1 347.507 1.684 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)ncn1 ZINC000999407120 706916735 /nfs/dbraw/zinc/91/67/35/706916735.db2.gz DFVSSWIXICAIJK-KTAKPFMOSA-N 2 1 331.464 1.206 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]Cc2ncccn2)C1 ZINC000999507787 707005505 /nfs/dbraw/zinc/00/55/05/707005505.db2.gz AVSHIACHMAVBEX-UHFFFAOYSA-N 2 1 331.464 1.288 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999510753 707009073 /nfs/dbraw/zinc/00/90/73/707009073.db2.gz LXUIYRMMDAAXRU-RTBURBONSA-N 2 1 345.487 1.744 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)n2C2CC2)C1)[NH+](C)C ZINC000999493964 707030760 /nfs/dbraw/zinc/03/07/60/707030760.db2.gz GOYYUCOLDSGXNU-GOEBONIOSA-N 2 1 348.495 1.342 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC000999575952 707083049 /nfs/dbraw/zinc/08/30/49/707083049.db2.gz RTPBYVZELVVJRA-SJORKVTESA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1)OC ZINC001033269695 707317122 /nfs/dbraw/zinc/31/71/22/707317122.db2.gz UGSDPZWAXWPBKE-HOTGVXAUSA-N 2 1 348.491 1.720 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1)OC ZINC001033269695 707317127 /nfs/dbraw/zinc/31/71/27/707317127.db2.gz UGSDPZWAXWPBKE-HOTGVXAUSA-N 2 1 348.491 1.720 20 0 EDADMP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033270186 707319633 /nfs/dbraw/zinc/31/96/33/707319633.db2.gz ZCVDUCPQMJQKPU-HUUCEWRRSA-N 2 1 334.464 1.330 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033270186 707319635 /nfs/dbraw/zinc/31/96/35/707319635.db2.gz ZCVDUCPQMJQKPU-HUUCEWRRSA-N 2 1 334.464 1.330 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CC4(CCC4)C3)C2)O1 ZINC001033185364 707370894 /nfs/dbraw/zinc/37/08/94/707370894.db2.gz ONPSWIBRPJFZEN-KBAYOESNSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CC4(CCC4)C3)C2)O1 ZINC001033185364 707370900 /nfs/dbraw/zinc/37/09/00/707370900.db2.gz ONPSWIBRPJFZEN-KBAYOESNSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CC4(CCC4)C3)C2)O1 ZINC001033185364 707370907 /nfs/dbraw/zinc/37/09/07/707370907.db2.gz ONPSWIBRPJFZEN-KBAYOESNSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CC4(CCC4)C3)C2)O1 ZINC001033185364 707370913 /nfs/dbraw/zinc/37/09/13/707370913.db2.gz ONPSWIBRPJFZEN-KBAYOESNSA-N 2 1 349.519 1.819 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000999837770 707408830 /nfs/dbraw/zinc/40/88/30/707408830.db2.gz SCFPMFHHJBOHAC-GRTSSRMGSA-N 2 1 336.867 1.766 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(F)c3)C2)C1 ZINC000999860372 707440345 /nfs/dbraw/zinc/44/03/45/707440345.db2.gz AEHXUTZOUDEORW-DAWZGUTISA-N 2 1 349.450 1.625 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(F)c3)C2)C1 ZINC000999860372 707440347 /nfs/dbraw/zinc/44/03/47/707440347.db2.gz AEHXUTZOUDEORW-DAWZGUTISA-N 2 1 349.450 1.625 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925345190 707506394 /nfs/dbraw/zinc/50/63/94/707506394.db2.gz URAQQQRVOCMJQL-NJAFHUGGSA-N 2 1 330.476 1.647 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)CC[N@H+]1C ZINC000925345190 707506399 /nfs/dbraw/zinc/50/63/99/707506399.db2.gz URAQQQRVOCMJQL-NJAFHUGGSA-N 2 1 330.476 1.647 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC[NH+]1C ZINC000925345190 707506402 /nfs/dbraw/zinc/50/64/02/707506402.db2.gz URAQQQRVOCMJQL-NJAFHUGGSA-N 2 1 330.476 1.647 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC[NH+]1C ZINC000925345190 707506407 /nfs/dbraw/zinc/50/64/07/707506407.db2.gz URAQQQRVOCMJQL-NJAFHUGGSA-N 2 1 330.476 1.647 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946808706 707507778 /nfs/dbraw/zinc/50/77/78/707507778.db2.gz RSVLTAXJZASNAQ-FGTMMUONSA-N 2 1 337.508 1.412 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946808706 707507782 /nfs/dbraw/zinc/50/77/82/707507782.db2.gz RSVLTAXJZASNAQ-FGTMMUONSA-N 2 1 337.508 1.412 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946808706 707507786 /nfs/dbraw/zinc/50/77/86/707507786.db2.gz RSVLTAXJZASNAQ-FGTMMUONSA-N 2 1 337.508 1.412 20 0 EDADMP Cc1nonc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004874350 707537885 /nfs/dbraw/zinc/53/78/85/707537885.db2.gz CLYOTEOFAJDSLF-PBHICJAKSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1nonc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004874350 707537888 /nfs/dbraw/zinc/53/78/88/707537888.db2.gz CLYOTEOFAJDSLF-PBHICJAKSA-N 2 1 349.479 1.722 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC000999971549 707581716 /nfs/dbraw/zinc/58/17/16/707581716.db2.gz BPGYORNMLBPHSD-ZWKOTPCHSA-N 2 1 347.507 1.623 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC000999972029 707582848 /nfs/dbraw/zinc/58/28/48/707582848.db2.gz FLRVNFUSOCFHFB-HOTGVXAUSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC000999972029 707582852 /nfs/dbraw/zinc/58/28/52/707582852.db2.gz FLRVNFUSOCFHFB-HOTGVXAUSA-N 2 1 348.495 1.018 20 0 EDADMP CN(C(=O)[C@H]1COCCN1C1CCCC1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033365946 707661072 /nfs/dbraw/zinc/66/10/72/707661072.db2.gz RQOLYAPBPKOQDF-RTBURBONSA-N 2 1 349.519 1.963 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)cc(C)[nH+]1 ZINC001060898035 707696665 /nfs/dbraw/zinc/69/66/65/707696665.db2.gz MPSGVEFFRJAFGK-OAHLLOKOSA-N 2 1 343.475 1.704 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033396884 707736444 /nfs/dbraw/zinc/73/64/44/707736444.db2.gz PTFUJFWEDSCIAW-IRXDYDNUSA-N 2 1 337.508 1.676 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001033398463 707739170 /nfs/dbraw/zinc/73/91/70/707739170.db2.gz WTQHEZXMKFMDTI-FUHWJXTLSA-N 2 1 337.508 1.678 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCOc3ccccc3)C2)C1 ZINC001033415440 707792044 /nfs/dbraw/zinc/79/20/44/707792044.db2.gz IQTMRCPAAAKZCN-QZTJIDSGSA-N 2 1 345.487 1.940 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCOc3ccccc3)C2)C1 ZINC001033415440 707792047 /nfs/dbraw/zinc/79/20/47/707792047.db2.gz IQTMRCPAAAKZCN-QZTJIDSGSA-N 2 1 345.487 1.940 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCOc3ccccc3)C2)C1 ZINC001033415440 707792051 /nfs/dbraw/zinc/79/20/51/707792051.db2.gz IQTMRCPAAAKZCN-QZTJIDSGSA-N 2 1 345.487 1.940 20 0 EDADMP C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001004964624 707793992 /nfs/dbraw/zinc/79/39/92/707793992.db2.gz MOSHXPRIPDXQIT-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033420488 707832008 /nfs/dbraw/zinc/83/20/08/707832008.db2.gz PWAARXVPFPBPFD-QAPCUYQASA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420488 707832012 /nfs/dbraw/zinc/83/20/12/707832012.db2.gz PWAARXVPFPBPFD-QAPCUYQASA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420488 707832014 /nfs/dbraw/zinc/83/20/14/707832014.db2.gz PWAARXVPFPBPFD-QAPCUYQASA-N 2 1 330.476 1.765 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001000195344 707836241 /nfs/dbraw/zinc/83/62/41/707836241.db2.gz YCXQGYHVHQSKHX-GDBMZVCRSA-N 2 1 348.495 1.171 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001000195344 707836243 /nfs/dbraw/zinc/83/62/43/707836243.db2.gz YCXQGYHVHQSKHX-GDBMZVCRSA-N 2 1 348.495 1.171 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033426131 707847082 /nfs/dbraw/zinc/84/70/82/707847082.db2.gz NRGBUTWQJHXJQY-KRWDZBQOSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033426131 707847084 /nfs/dbraw/zinc/84/70/84/707847084.db2.gz NRGBUTWQJHXJQY-KRWDZBQOSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033426131 707847086 /nfs/dbraw/zinc/84/70/86/707847086.db2.gz NRGBUTWQJHXJQY-KRWDZBQOSA-N 2 1 337.508 1.678 20 0 EDADMP Cc1cnc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)nc1 ZINC001004996087 707887240 /nfs/dbraw/zinc/88/72/40/707887240.db2.gz ZDPZUYRMRVXSMN-DLBZAZTESA-N 2 1 345.491 1.740 20 0 EDADMP Cc1cc(NC[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc(C)[nH+]1 ZINC001060927674 707932978 /nfs/dbraw/zinc/93/29/78/707932978.db2.gz PRRBWECVRWLSRL-NVXWUHKLSA-N 2 1 343.475 1.696 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033476453 707937589 /nfs/dbraw/zinc/93/75/89/707937589.db2.gz ZHACCQFFTDQAIY-ZWKOTPCHSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033476453 707937592 /nfs/dbraw/zinc/93/75/92/707937592.db2.gz ZHACCQFFTDQAIY-ZWKOTPCHSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033476453 707937594 /nfs/dbraw/zinc/93/75/94/707937594.db2.gz ZHACCQFFTDQAIY-ZWKOTPCHSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033476453 707937596 /nfs/dbraw/zinc/93/75/96/707937596.db2.gz ZHACCQFFTDQAIY-ZWKOTPCHSA-N 2 1 347.507 1.716 20 0 EDADMP COc1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)ccc1C ZINC001032780775 707965599 /nfs/dbraw/zinc/96/55/99/707965599.db2.gz CWFRGQNDKRHJKV-SQNIBIBYSA-N 2 1 343.471 1.740 20 0 EDADMP COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)ccc1C ZINC001032780775 707965602 /nfs/dbraw/zinc/96/56/02/707965602.db2.gz CWFRGQNDKRHJKV-SQNIBIBYSA-N 2 1 343.471 1.740 20 0 EDADMP COc1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)ccc1C ZINC001032780775 707965606 /nfs/dbraw/zinc/96/56/06/707965606.db2.gz CWFRGQNDKRHJKV-SQNIBIBYSA-N 2 1 343.471 1.740 20 0 EDADMP COc1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)C2)ccc1C ZINC001032780775 707965610 /nfs/dbraw/zinc/96/56/10/707965610.db2.gz CWFRGQNDKRHJKV-SQNIBIBYSA-N 2 1 343.471 1.740 20 0 EDADMP COc1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)ccc1C ZINC001032780775 707965611 /nfs/dbraw/zinc/96/56/11/707965611.db2.gz CWFRGQNDKRHJKV-SQNIBIBYSA-N 2 1 343.471 1.740 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2cccc(F)c2)C1 ZINC001032781299 707970238 /nfs/dbraw/zinc/97/02/38/707970238.db2.gz PYFXOQUPQAGYGC-PVAVHDDUSA-N 2 1 347.434 1.441 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2cccc(F)c2)C1 ZINC001032781299 707970240 /nfs/dbraw/zinc/97/02/40/707970240.db2.gz PYFXOQUPQAGYGC-PVAVHDDUSA-N 2 1 347.434 1.441 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOc2cccc(F)c2)C1 ZINC001032781299 707970242 /nfs/dbraw/zinc/97/02/42/707970242.db2.gz PYFXOQUPQAGYGC-PVAVHDDUSA-N 2 1 347.434 1.441 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOc2cccc(F)c2)C1 ZINC001032781299 707970244 /nfs/dbraw/zinc/97/02/44/707970244.db2.gz PYFXOQUPQAGYGC-PVAVHDDUSA-N 2 1 347.434 1.441 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001001008410 708082139 /nfs/dbraw/zinc/08/21/39/708082139.db2.gz PVDCRHJENMDALH-ROUUACIJSA-N 2 1 347.507 1.418 20 0 EDADMP Cc1ccncc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001001279299 708122594 /nfs/dbraw/zinc/12/25/94/708122594.db2.gz PWYUXSUAIKVPDF-SFHVURJKSA-N 2 1 346.475 1.049 20 0 EDADMP Cc1ccncc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001001279299 708122596 /nfs/dbraw/zinc/12/25/96/708122596.db2.gz PWYUXSUAIKVPDF-SFHVURJKSA-N 2 1 346.475 1.049 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001005183458 708134135 /nfs/dbraw/zinc/13/41/35/708134135.db2.gz IPFJWCLRBPZCST-LSDHHAIUSA-N 2 1 345.434 1.428 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001005208075 708229369 /nfs/dbraw/zinc/22/93/69/708229369.db2.gz AYDQSNWNELYVML-GOSISDBHSA-N 2 1 349.519 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001005208075 708229370 /nfs/dbraw/zinc/22/93/70/708229370.db2.gz AYDQSNWNELYVML-GOSISDBHSA-N 2 1 349.519 1.820 20 0 EDADMP CC[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1)OC ZINC001033586564 708277427 /nfs/dbraw/zinc/27/74/27/708277427.db2.gz WRLXSKMSHTYZAP-LSDHHAIUSA-N 2 1 334.464 1.719 20 0 EDADMP CC[C@H](C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1)OC ZINC001033586564 708277429 /nfs/dbraw/zinc/27/74/29/708277429.db2.gz WRLXSKMSHTYZAP-LSDHHAIUSA-N 2 1 334.464 1.719 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033593490 708293040 /nfs/dbraw/zinc/29/30/40/708293040.db2.gz HNEKXOWCGMTJHB-CVEARBPZSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033593490 708293042 /nfs/dbraw/zinc/29/30/42/708293042.db2.gz HNEKXOWCGMTJHB-CVEARBPZSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033593490 708293045 /nfs/dbraw/zinc/29/30/45/708293045.db2.gz HNEKXOWCGMTJHB-CVEARBPZSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033593490 708293047 /nfs/dbraw/zinc/29/30/47/708293047.db2.gz HNEKXOWCGMTJHB-CVEARBPZSA-N 2 1 331.464 1.160 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593787 708293190 /nfs/dbraw/zinc/29/31/90/708293190.db2.gz MGDBYXQIZQXDSF-HNNXBMFYSA-N 2 1 346.475 1.674 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033593855 708294560 /nfs/dbraw/zinc/29/45/60/708294560.db2.gz NEKULXPZKXFPEU-CQSZACIVSA-N 2 1 327.419 1.660 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001033665105 708447374 /nfs/dbraw/zinc/44/73/74/708447374.db2.gz MBCPKFMDURYHED-MRXNPFEDSA-N 2 1 327.432 1.628 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC001033665105 708447375 /nfs/dbraw/zinc/44/73/75/708447375.db2.gz MBCPKFMDURYHED-MRXNPFEDSA-N 2 1 327.432 1.628 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033667045 708453677 /nfs/dbraw/zinc/45/36/77/708453677.db2.gz CWLIYGMAUXBGTG-QZTJIDSGSA-N 2 1 342.443 1.458 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033667045 708453679 /nfs/dbraw/zinc/45/36/79/708453679.db2.gz CWLIYGMAUXBGTG-QZTJIDSGSA-N 2 1 342.443 1.458 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033662169 708477288 /nfs/dbraw/zinc/47/72/88/708477288.db2.gz OGRDCOXSXUHEJG-LSDHHAIUSA-N 2 1 336.505 1.478 20 0 EDADMP Cc1ncsc1CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033662169 708477289 /nfs/dbraw/zinc/47/72/89/708477289.db2.gz OGRDCOXSXUHEJG-LSDHHAIUSA-N 2 1 336.505 1.478 20 0 EDADMP Cc1ncsc1CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033662169 708477291 /nfs/dbraw/zinc/47/72/91/708477291.db2.gz OGRDCOXSXUHEJG-LSDHHAIUSA-N 2 1 336.505 1.478 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033686724 708501493 /nfs/dbraw/zinc/50/14/93/708501493.db2.gz SLKNFAOLNOZLEM-MSOLQXFVSA-N 2 1 347.507 1.370 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033686724 708501495 /nfs/dbraw/zinc/50/14/95/708501495.db2.gz SLKNFAOLNOZLEM-MSOLQXFVSA-N 2 1 347.507 1.370 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033686724 708501497 /nfs/dbraw/zinc/50/14/97/708501497.db2.gz SLKNFAOLNOZLEM-MSOLQXFVSA-N 2 1 347.507 1.370 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC001033830311 708851610 /nfs/dbraw/zinc/85/16/10/708851610.db2.gz HDTFWKOMPCPCJX-DOTOQJQBSA-N 2 1 348.516 1.908 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001033830311 708851612 /nfs/dbraw/zinc/85/16/12/708851612.db2.gz HDTFWKOMPCPCJX-DOTOQJQBSA-N 2 1 348.516 1.908 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC001002472372 709005508 /nfs/dbraw/zinc/00/55/08/709005508.db2.gz ABXWVBZNKSMPJB-ROUUACIJSA-N 2 1 337.508 1.602 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033939943 709145303 /nfs/dbraw/zinc/14/53/03/709145303.db2.gz FCQLXBPFFNDNJB-GOSISDBHSA-N 2 1 330.476 1.846 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033941309 709147761 /nfs/dbraw/zinc/14/77/61/709147761.db2.gz PFYCDMZEEQWFPN-GOSISDBHSA-N 2 1 347.507 1.227 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001034015477 709232090 /nfs/dbraw/zinc/23/20/90/709232090.db2.gz HLNWEQRKRPCYKW-IRXDYDNUSA-N 2 1 335.492 1.432 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC001034043903 709295184 /nfs/dbraw/zinc/29/51/84/709295184.db2.gz YEEUOUDUJJYEJG-FUHWJXTLSA-N 2 1 330.476 1.765 20 0 EDADMP C[C@H](O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005504492 709333917 /nfs/dbraw/zinc/33/39/17/709333917.db2.gz SAQVVQPYVUAUOZ-YJBOKZPZSA-N 2 1 337.508 1.697 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001002792022 709399735 /nfs/dbraw/zinc/39/97/35/709399735.db2.gz MKWNZTDXEISNOD-SFHVURJKSA-N 2 1 347.507 1.416 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3=CCCCC3)C2)C1 ZINC001034148504 709419290 /nfs/dbraw/zinc/41/92/90/709419290.db2.gz LEGGXPMYSSAZTR-ZWKOTPCHSA-N 2 1 335.492 1.788 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3=CCCCC3)C2)C1 ZINC001034148504 709419293 /nfs/dbraw/zinc/41/92/93/709419293.db2.gz LEGGXPMYSSAZTR-ZWKOTPCHSA-N 2 1 335.492 1.788 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC3=CCCCC3)C2)C1 ZINC001034148504 709419295 /nfs/dbraw/zinc/41/92/95/709419295.db2.gz LEGGXPMYSSAZTR-ZWKOTPCHSA-N 2 1 335.492 1.788 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001034148504 709419297 /nfs/dbraw/zinc/41/92/97/709419297.db2.gz LEGGXPMYSSAZTR-ZWKOTPCHSA-N 2 1 335.492 1.788 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001032829793 709460238 /nfs/dbraw/zinc/46/02/38/709460238.db2.gz UXMWCZWCVHPGEC-BZSNNMDCSA-N 2 1 337.508 1.602 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC001032829793 709460239 /nfs/dbraw/zinc/46/02/39/709460239.db2.gz UXMWCZWCVHPGEC-BZSNNMDCSA-N 2 1 337.508 1.602 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001032829793 709460241 /nfs/dbraw/zinc/46/02/41/709460241.db2.gz UXMWCZWCVHPGEC-BZSNNMDCSA-N 2 1 337.508 1.602 20 0 EDADMP Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)cn1 ZINC001032830318 709466959 /nfs/dbraw/zinc/46/69/59/709466959.db2.gz YGOFQBPQBRLBAV-YVSFHVDLSA-N 2 1 345.491 1.767 20 0 EDADMP Cc1cnc([C@@H](C)[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)cn1 ZINC001032830318 709466961 /nfs/dbraw/zinc/46/69/61/709466961.db2.gz YGOFQBPQBRLBAV-YVSFHVDLSA-N 2 1 345.491 1.767 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cn1 ZINC001032830318 709466963 /nfs/dbraw/zinc/46/69/63/709466963.db2.gz YGOFQBPQBRLBAV-YVSFHVDLSA-N 2 1 345.491 1.767 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC001032830318 709466964 /nfs/dbraw/zinc/46/69/64/709466964.db2.gz YGOFQBPQBRLBAV-YVSFHVDLSA-N 2 1 345.491 1.767 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CCn2cccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034212970 709564170 /nfs/dbraw/zinc/56/41/70/709564170.db2.gz SMYIGDSWPKTRRQ-QZTJIDSGSA-N 2 1 345.491 1.196 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)C1 ZINC000702605021 709700739 /nfs/dbraw/zinc/70/07/39/709700739.db2.gz STQZRBQYFFGEDJ-ZQIUZPCESA-N 2 1 339.480 1.479 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)C1 ZINC000702605021 709700742 /nfs/dbraw/zinc/70/07/42/709700742.db2.gz STQZRBQYFFGEDJ-ZQIUZPCESA-N 2 1 339.480 1.479 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](CC[C@H]2CCCO2)C1 ZINC001034309624 709751801 /nfs/dbraw/zinc/75/18/01/709751801.db2.gz NPRHPSPGCQKDKK-IAGOWNOFSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001034309624 709751803 /nfs/dbraw/zinc/75/18/03/709751803.db2.gz NPRHPSPGCQKDKK-IAGOWNOFSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001034310010 709752787 /nfs/dbraw/zinc/75/27/87/709752787.db2.gz RSACFQDMEUNENW-QGZVFWFLSA-N 2 1 344.463 1.404 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cn(C)nc2C)C1 ZINC001034310010 709752790 /nfs/dbraw/zinc/75/27/90/709752790.db2.gz RSACFQDMEUNENW-QGZVFWFLSA-N 2 1 344.463 1.404 20 0 EDADMP C[C@H](c1cnccn1)[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386894 709915720 /nfs/dbraw/zinc/91/57/20/709915720.db2.gz VAOIVEUMCJMPNR-WBVHZDCISA-N 2 1 345.491 1.850 20 0 EDADMP C[C@H](c1cnccn1)[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386894 709915721 /nfs/dbraw/zinc/91/57/21/709915721.db2.gz VAOIVEUMCJMPNR-WBVHZDCISA-N 2 1 345.491 1.850 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034396904 709936391 /nfs/dbraw/zinc/93/63/91/709936391.db2.gz IVAVLXCWKGBVHT-NVXWUHKLSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034396904 709936393 /nfs/dbraw/zinc/93/63/93/709936393.db2.gz IVAVLXCWKGBVHT-NVXWUHKLSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cnn(C)c2)C1 ZINC001034396904 709936396 /nfs/dbraw/zinc/93/63/96/709936396.db2.gz IVAVLXCWKGBVHT-NVXWUHKLSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001034396904 709936399 /nfs/dbraw/zinc/93/63/99/709936399.db2.gz IVAVLXCWKGBVHT-NVXWUHKLSA-N 2 1 333.480 1.375 20 0 EDADMP COCC[N@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034397335 709938024 /nfs/dbraw/zinc/93/80/24/709938024.db2.gz KHNOQWMFQLYBNS-MAUKXSAKSA-N 2 1 343.487 1.816 20 0 EDADMP COCC[NH+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034397335 709938027 /nfs/dbraw/zinc/93/80/27/709938027.db2.gz KHNOQWMFQLYBNS-MAUKXSAKSA-N 2 1 343.487 1.816 20 0 EDADMP COCC[NH+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034397335 709938029 /nfs/dbraw/zinc/93/80/29/709938029.db2.gz KHNOQWMFQLYBNS-MAUKXSAKSA-N 2 1 343.487 1.816 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001003165699 710076830 /nfs/dbraw/zinc/07/68/30/710076830.db2.gz ICIJBXPMZDKBKB-KRWDZBQOSA-N 2 1 346.475 1.655 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001003165699 710076831 /nfs/dbraw/zinc/07/68/31/710076831.db2.gz ICIJBXPMZDKBKB-KRWDZBQOSA-N 2 1 346.475 1.655 20 0 EDADMP O=C(N[C@H]1CCCC[N@H+](CCCO)C1)C1CC[NH+](CC2CC2)CC1 ZINC001034476815 710083469 /nfs/dbraw/zinc/08/34/69/710083469.db2.gz HDEFLCDIFLYOKJ-SFHVURJKSA-N 2 1 337.508 1.462 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](Cc3ccns3)C2)C1 ZINC001034491827 710112906 /nfs/dbraw/zinc/11/29/06/710112906.db2.gz YBMXZFCWGRCICT-CABCVRRESA-N 2 1 336.505 1.956 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](Cc3ccns3)C2)C1 ZINC001034491827 710112907 /nfs/dbraw/zinc/11/29/07/710112907.db2.gz YBMXZFCWGRCICT-CABCVRRESA-N 2 1 336.505 1.956 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@H+](Cc3ccns3)C2)C1 ZINC001034491827 710112909 /nfs/dbraw/zinc/11/29/09/710112909.db2.gz YBMXZFCWGRCICT-CABCVRRESA-N 2 1 336.505 1.956 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@@H+](Cc3ccns3)C2)C1 ZINC001034491827 710112911 /nfs/dbraw/zinc/11/29/11/710112911.db2.gz YBMXZFCWGRCICT-CABCVRRESA-N 2 1 336.505 1.956 20 0 EDADMP CCn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034486917 710133383 /nfs/dbraw/zinc/13/33/83/710133383.db2.gz DAGLRLKOBGYQTA-HZPDHXFCSA-N 2 1 348.495 1.111 20 0 EDADMP CCn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034486917 710133386 /nfs/dbraw/zinc/13/33/86/710133386.db2.gz DAGLRLKOBGYQTA-HZPDHXFCSA-N 2 1 348.495 1.111 20 0 EDADMP CCn1nncc1C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034486917 710133387 /nfs/dbraw/zinc/13/33/87/710133387.db2.gz DAGLRLKOBGYQTA-HZPDHXFCSA-N 2 1 348.495 1.111 20 0 EDADMP CCn1nncc1C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034486917 710133388 /nfs/dbraw/zinc/13/33/88/710133388.db2.gz DAGLRLKOBGYQTA-HZPDHXFCSA-N 2 1 348.495 1.111 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cc(C4CC4)no3)C2)C1 ZINC001034525824 710176838 /nfs/dbraw/zinc/17/68/38/710176838.db2.gz QEOYKPWRXJVDMQ-HZPDHXFCSA-N 2 1 346.475 1.974 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cc(C4CC4)no3)C2)C1 ZINC001034525824 710176840 /nfs/dbraw/zinc/17/68/40/710176840.db2.gz QEOYKPWRXJVDMQ-HZPDHXFCSA-N 2 1 346.475 1.974 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cc(C4CC4)no3)C2)C1 ZINC001034525824 710176843 /nfs/dbraw/zinc/17/68/43/710176843.db2.gz QEOYKPWRXJVDMQ-HZPDHXFCSA-N 2 1 346.475 1.974 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cc(C4CC4)no3)C2)C1 ZINC001034525824 710176845 /nfs/dbraw/zinc/17/68/45/710176845.db2.gz QEOYKPWRXJVDMQ-HZPDHXFCSA-N 2 1 346.475 1.974 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001034529071 710183544 /nfs/dbraw/zinc/18/35/44/710183544.db2.gz WBOQTGIOWSAEGK-LJQANCHMSA-N 2 1 345.487 1.745 20 0 EDADMP CCc1nc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc(C)[nH+]1 ZINC001061757147 710196212 /nfs/dbraw/zinc/19/62/12/710196212.db2.gz GESGDRZSBNUDDL-OWCLPIDISA-N 2 1 345.491 1.630 20 0 EDADMP CCc1nc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc(C)[nH+]1 ZINC001061757147 710196213 /nfs/dbraw/zinc/19/62/13/710196213.db2.gz GESGDRZSBNUDDL-OWCLPIDISA-N 2 1 345.491 1.630 20 0 EDADMP C[C@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034541188 710215083 /nfs/dbraw/zinc/21/50/83/710215083.db2.gz NNXPHGAJOKQSGR-GDBMZVCRSA-N 2 1 346.475 1.206 20 0 EDADMP C[C@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034541188 710215084 /nfs/dbraw/zinc/21/50/84/710215084.db2.gz NNXPHGAJOKQSGR-GDBMZVCRSA-N 2 1 346.475 1.206 20 0 EDADMP Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001034607391 710271016 /nfs/dbraw/zinc/27/10/16/710271016.db2.gz NOJCWVHICVFIJV-CYUUQNCZSA-N 2 1 335.452 1.550 20 0 EDADMP Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001034607391 710271018 /nfs/dbraw/zinc/27/10/18/710271018.db2.gz NOJCWVHICVFIJV-CYUUQNCZSA-N 2 1 335.452 1.550 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001034652826 710328198 /nfs/dbraw/zinc/32/81/98/710328198.db2.gz AKUSXPBHCJXTGC-SRABZTEZSA-N 2 1 348.447 1.055 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CCc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001003493260 710375902 /nfs/dbraw/zinc/37/59/02/710375902.db2.gz UNTFVMLUFQKNBQ-RDJZCZTQSA-N 2 1 347.507 1.274 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001003624355 710453424 /nfs/dbraw/zinc/45/34/24/710453424.db2.gz OOMGWMGQYUCBSV-CQSZACIVSA-N 2 1 333.480 1.293 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001003625638 710454862 /nfs/dbraw/zinc/45/48/62/710454862.db2.gz HXXHELPNHBJJRO-HOCLYGCPSA-N 2 1 345.491 1.768 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001003625638 710454863 /nfs/dbraw/zinc/45/48/63/710454863.db2.gz HXXHELPNHBJJRO-HOCLYGCPSA-N 2 1 345.491 1.768 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001003627598 710457676 /nfs/dbraw/zinc/45/76/76/710457676.db2.gz HEVAWEYNKSGISS-GJZGRUSLSA-N 2 1 331.464 1.603 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003627598 710457677 /nfs/dbraw/zinc/45/76/77/710457677.db2.gz HEVAWEYNKSGISS-GJZGRUSLSA-N 2 1 331.464 1.603 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC001003630026 710459557 /nfs/dbraw/zinc/45/95/57/710459557.db2.gz HXYREEQDTJEPIN-WBVHZDCISA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003633749 710461713 /nfs/dbraw/zinc/46/17/13/710461713.db2.gz HQTOHLMYOORWCJ-BBRMVZONSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003633749 710461714 /nfs/dbraw/zinc/46/17/14/710461714.db2.gz HQTOHLMYOORWCJ-BBRMVZONSA-N 2 1 331.464 1.063 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001003776394 710545277 /nfs/dbraw/zinc/54/52/77/710545277.db2.gz OPVZXYHTEOOQJP-AEFFLSMTSA-N 2 1 345.491 1.518 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001003776394 710545280 /nfs/dbraw/zinc/54/52/80/710545280.db2.gz OPVZXYHTEOOQJP-AEFFLSMTSA-N 2 1 345.491 1.518 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cn(C)nn2)CC1 ZINC001034658854 710587672 /nfs/dbraw/zinc/58/76/72/710587672.db2.gz JQMGKSRAIOISHF-BFYDXBDKSA-N 2 1 348.495 1.207 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC001034673636 710611723 /nfs/dbraw/zinc/61/17/23/710611723.db2.gz DJYQTCDTACWRHF-BRSBDYLESA-N 2 1 337.508 1.914 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)no1 ZINC001034675009 710626385 /nfs/dbraw/zinc/62/63/85/710626385.db2.gz XMTWYOLWNMFUPS-BFYDXBDKSA-N 2 1 334.464 1.984 20 0 EDADMP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC001034674956 710626578 /nfs/dbraw/zinc/62/65/78/710626578.db2.gz VXFGJUZQNUWMCT-QCEMKRCNSA-N 2 1 348.495 1.675 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)on1 ZINC001005593094 710641513 /nfs/dbraw/zinc/64/15/13/710641513.db2.gz QCUMZRXIJUXRTN-KRWDZBQOSA-N 2 1 334.464 1.890 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)CC2)on1 ZINC001005593094 710641514 /nfs/dbraw/zinc/64/15/14/710641514.db2.gz QCUMZRXIJUXRTN-KRWDZBQOSA-N 2 1 334.464 1.890 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC001005627329 710751389 /nfs/dbraw/zinc/75/13/89/710751389.db2.gz YKJYFZACAVOLTM-DZGCQCFKSA-N 2 1 348.491 1.781 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034692622 710781969 /nfs/dbraw/zinc/78/19/69/710781969.db2.gz LHTCCJVGKZXUAF-SHTZXODSSA-N 2 1 330.436 1.142 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3nccn3C)CC2)C1 ZINC001034733898 710914489 /nfs/dbraw/zinc/91/44/89/710914489.db2.gz GPAPIUHRCHJYMZ-BZUAXINKSA-N 2 1 333.480 1.279 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034735708 710921961 /nfs/dbraw/zinc/92/19/61/710921961.db2.gz MKZOMXUMPBROPK-BZUAXINKSA-N 2 1 333.480 1.421 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034736695 710923995 /nfs/dbraw/zinc/92/39/95/710923995.db2.gz AGKRBOFRICYPOH-QSPRXWTASA-N 2 1 348.491 1.952 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC001034736561 710924239 /nfs/dbraw/zinc/92/42/39/710924239.db2.gz WJGUVIMXVYDPMY-BPLDGKMQSA-N 2 1 335.452 1.379 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC001034736561 710924243 /nfs/dbraw/zinc/92/42/43/710924243.db2.gz WJGUVIMXVYDPMY-BPLDGKMQSA-N 2 1 335.452 1.379 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC001034737190 710949203 /nfs/dbraw/zinc/94/92/03/710949203.db2.gz HGCHUMDVQGNDMI-LEUOFYLZSA-N 2 1 330.476 1.796 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001034737556 710950497 /nfs/dbraw/zinc/95/04/97/710950497.db2.gz MLIZVWQDHSIZRF-KQTLUZQSSA-N 2 1 336.505 1.858 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC001034738220 710953668 /nfs/dbraw/zinc/95/36/68/710953668.db2.gz RMELSIBOQQVXOK-YFHUEUNASA-N 2 1 330.476 1.796 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC001034775684 711049468 /nfs/dbraw/zinc/04/94/68/711049468.db2.gz GDUZTDVSIAXVGJ-BRWVUGGUSA-N 2 1 347.507 1.587 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034775718 711049600 /nfs/dbraw/zinc/04/96/00/711049600.db2.gz HHJIDQNMANIZCR-BRWVUGGUSA-N 2 1 347.507 1.762 20 0 EDADMP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)no1 ZINC001034778620 711082277 /nfs/dbraw/zinc/08/22/77/711082277.db2.gz WRUNENOTIWIKOY-QEJZJMRPSA-N 2 1 347.463 1.552 20 0 EDADMP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)ccn1 ZINC001034791612 711116298 /nfs/dbraw/zinc/11/62/98/711116298.db2.gz NVAJBFRQAFLWFF-BRWVUGGUSA-N 2 1 346.475 1.559 20 0 EDADMP Cc1nnc([C@@H](C)N2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001003970437 711119687 /nfs/dbraw/zinc/11/96/87/711119687.db2.gz GBBGZLZTNRFWGF-TZMCWYRMSA-N 2 1 335.452 1.361 20 0 EDADMP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)on1 ZINC001034793156 711122051 /nfs/dbraw/zinc/12/20/51/711122051.db2.gz QPMOFICFROEZHL-MGPQQGTHSA-N 2 1 336.436 1.152 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)C3)CC2)C1 ZINC001034797623 711132129 /nfs/dbraw/zinc/13/21/29/711132129.db2.gz QYXRKDLVDNMGCD-NHHFINERSA-N 2 1 337.508 1.770 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)C3)CC2)C1 ZINC001034797623 711132130 /nfs/dbraw/zinc/13/21/30/711132130.db2.gz QYXRKDLVDNMGCD-NHHFINERSA-N 2 1 337.508 1.770 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH2+]CC3CC3)cc2)C1 ZINC001034832199 711238456 /nfs/dbraw/zinc/23/84/56/711238456.db2.gz LSLRWXRQGDFLOS-SFHVURJKSA-N 2 1 331.460 1.523 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH2+]CC3CC3)cc2)C1 ZINC001034832199 711238459 /nfs/dbraw/zinc/23/84/59/711238459.db2.gz LSLRWXRQGDFLOS-SFHVURJKSA-N 2 1 331.460 1.523 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)s1 ZINC001034885557 711290225 /nfs/dbraw/zinc/29/02/25/711290225.db2.gz WGCFTMKDYHWJOI-KGLIPLIRSA-N 2 1 349.504 1.590 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)s1 ZINC001034885557 711290228 /nfs/dbraw/zinc/29/02/28/711290228.db2.gz WGCFTMKDYHWJOI-KGLIPLIRSA-N 2 1 349.504 1.590 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccnc(N(C)C)n1)C2 ZINC000922387387 711426876 /nfs/dbraw/zinc/42/68/76/711426876.db2.gz KLQYXHOUAQVXNH-CBZIJGRNSA-N 2 1 333.480 1.112 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)C2 ZINC000922388807 711432584 /nfs/dbraw/zinc/43/25/84/711432584.db2.gz RLJDQIHAJVBMSF-VXIBKDFQSA-N 2 1 331.460 1.355 20 0 EDADMP Cc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001034959399 711434406 /nfs/dbraw/zinc/43/44/06/711434406.db2.gz YJESPLIVQDOELK-NVXWUHKLSA-N 2 1 331.464 1.206 20 0 EDADMP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001034940098 711443436 /nfs/dbraw/zinc/44/34/36/711443436.db2.gz XLUQDNBXMGINRT-UMVBOHGHSA-N 2 1 336.436 1.104 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CCN(Cc3c(F)cccc3F)CC2)C1 ZINC001004145088 711553721 /nfs/dbraw/zinc/55/37/21/711553721.db2.gz SJPYJUFDERFFEF-ZDUSSCGKSA-N 2 1 337.414 1.997 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CCN(Cc3cc(C4CC4)no3)CC2)C1 ZINC001004149726 711564250 /nfs/dbraw/zinc/56/42/50/711564250.db2.gz LFAFMTLCTWSFRD-AWEZNQCLSA-N 2 1 332.448 1.584 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(C4CC4)no3)CC2)C1 ZINC001004149726 711564252 /nfs/dbraw/zinc/56/42/52/711564252.db2.gz LFAFMTLCTWSFRD-AWEZNQCLSA-N 2 1 332.448 1.584 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(C4CC4)no3)CC2)C1 ZINC001004149726 711564254 /nfs/dbraw/zinc/56/42/54/711564254.db2.gz LFAFMTLCTWSFRD-AWEZNQCLSA-N 2 1 332.448 1.584 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCn3cc(Cl)cn3)CC2)C1 ZINC001004151414 711568931 /nfs/dbraw/zinc/56/89/31/711568931.db2.gz YBVIBEPIQWSSFF-CYBMUJFWSA-N 2 1 339.871 1.069 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nocc3C)C[C@H]2CC1)[NH+](C)C ZINC000946642344 712126896 /nfs/dbraw/zinc/12/68/96/712126896.db2.gz FTOZETFNHQFSCO-SOLBZPMBSA-N 2 1 348.491 1.994 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033152214 712145693 /nfs/dbraw/zinc/14/56/93/712145693.db2.gz NNFQOMQLTAZWMD-DLBZAZTESA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033152214 712145696 /nfs/dbraw/zinc/14/56/96/712145696.db2.gz NNFQOMQLTAZWMD-DLBZAZTESA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033152214 712145700 /nfs/dbraw/zinc/14/57/00/712145700.db2.gz NNFQOMQLTAZWMD-DLBZAZTESA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033152214 712145703 /nfs/dbraw/zinc/14/57/03/712145703.db2.gz NNFQOMQLTAZWMD-DLBZAZTESA-N 2 1 347.507 1.716 20 0 EDADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000052210163 214123033 /nfs/dbraw/zinc/12/30/33/214123033.db2.gz QIEOFAYKOCPMLL-HNNXBMFYSA-N 2 1 340.512 1.023 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000052210163 214123036 /nfs/dbraw/zinc/12/30/36/214123036.db2.gz QIEOFAYKOCPMLL-HNNXBMFYSA-N 2 1 340.512 1.023 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000187326113 530067737 /nfs/dbraw/zinc/06/77/37/530067737.db2.gz KQRFZVHUGZVXBN-UHFFFAOYSA-N 2 1 347.459 1.585 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnn(CC(F)(F)F)c1 ZINC000349313058 539474269 /nfs/dbraw/zinc/47/42/69/539474269.db2.gz GMFZCJCYDJHIIE-UHFFFAOYSA-N 2 1 333.402 1.515 20 0 EDADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000077323618 535036614 /nfs/dbraw/zinc/03/66/14/535036614.db2.gz JWVIIKKFDCIOAV-UHFFFAOYSA-N 2 1 325.497 1.865 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000561231276 306284937 /nfs/dbraw/zinc/28/49/37/306284937.db2.gz XBQBZVPFADYTTM-ZWKOTPCHSA-N 2 1 346.475 1.106 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000339288140 539706144 /nfs/dbraw/zinc/70/61/44/539706144.db2.gz VUCOQCKWWRUFAS-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000339288140 539706149 /nfs/dbraw/zinc/70/61/49/539706149.db2.gz VUCOQCKWWRUFAS-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP O=C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000166372762 539925678 /nfs/dbraw/zinc/92/56/78/539925678.db2.gz JRLFYDNNNXSATM-PKOBYXMFSA-N 2 1 342.487 1.552 20 0 EDADMP O=C(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000166372762 539925681 /nfs/dbraw/zinc/92/56/81/539925681.db2.gz JRLFYDNNNXSATM-PKOBYXMFSA-N 2 1 342.487 1.552 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[NH+]1CCOCC1 ZINC000562790101 306309128 /nfs/dbraw/zinc/30/91/28/306309128.db2.gz VXTXGWMOPKBTFN-ARFHVFGLSA-N 2 1 326.485 1.031 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000048093088 540183796 /nfs/dbraw/zinc/18/37/96/540183796.db2.gz SGLUUBYFORIBEP-KRWDZBQOSA-N 2 1 338.496 1.269 20 0 EDADMP CCn1nc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c2ccccc21 ZINC000563460695 306334749 /nfs/dbraw/zinc/33/47/49/306334749.db2.gz FTXBJEQFCFTUSD-OAHLLOKOSA-N 2 1 339.447 1.944 20 0 EDADMP CCn1nc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c2ccccc21 ZINC000563460695 306334750 /nfs/dbraw/zinc/33/47/50/306334750.db2.gz FTXBJEQFCFTUSD-OAHLLOKOSA-N 2 1 339.447 1.944 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCC[NH+]1CCOCC1 ZINC000066687833 138180546 /nfs/dbraw/zinc/18/05/46/138180546.db2.gz WMYGVFXZNSNOQP-KRWDZBQOSA-N 2 1 340.512 1.663 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCC[NH+]1CCOCC1 ZINC000066687833 138180547 /nfs/dbraw/zinc/18/05/47/138180547.db2.gz WMYGVFXZNSNOQP-KRWDZBQOSA-N 2 1 340.512 1.663 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000098030441 138297214 /nfs/dbraw/zinc/29/72/14/138297214.db2.gz BUDJXFMJGKOOTA-IAGOWNOFSA-N 2 1 340.512 1.518 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000120329725 138315503 /nfs/dbraw/zinc/31/55/03/138315503.db2.gz BBICLRJVUUYEOC-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000120329725 138315504 /nfs/dbraw/zinc/31/55/04/138315504.db2.gz BBICLRJVUUYEOC-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000120329725 138315505 /nfs/dbraw/zinc/31/55/05/138315505.db2.gz BBICLRJVUUYEOC-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000120329725 138315506 /nfs/dbraw/zinc/31/55/06/138315506.db2.gz BBICLRJVUUYEOC-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000563590397 306340318 /nfs/dbraw/zinc/34/03/18/306340318.db2.gz DOEBWCTUNOECLR-SJORKVTESA-N 2 1 332.448 1.020 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000413836362 304079818 /nfs/dbraw/zinc/07/98/18/304079818.db2.gz LQHRKOXGSWTWMX-WCXIOVBPSA-N 2 1 338.496 1.364 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000413836362 304079819 /nfs/dbraw/zinc/07/98/19/304079819.db2.gz LQHRKOXGSWTWMX-WCXIOVBPSA-N 2 1 338.496 1.364 20 0 EDADMP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)Cn1cccn1 ZINC000564847348 306367113 /nfs/dbraw/zinc/36/71/13/306367113.db2.gz BDISLYKCSMMGBZ-HZPDHXFCSA-N 2 1 334.489 1.807 20 0 EDADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)Cn1cccn1 ZINC000564847348 306367114 /nfs/dbraw/zinc/36/71/14/306367114.db2.gz BDISLYKCSMMGBZ-HZPDHXFCSA-N 2 1 334.489 1.807 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCCCO[C@@H](C)c2ccccc2)C1 ZINC000351860986 296025484 /nfs/dbraw/zinc/02/54/84/296025484.db2.gz KENMMSUZSQOYGL-SOLBZPMBSA-N 2 1 333.476 1.940 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCCCO[C@@H](C)c2ccccc2)C1 ZINC000351860986 296025487 /nfs/dbraw/zinc/02/54/87/296025487.db2.gz KENMMSUZSQOYGL-SOLBZPMBSA-N 2 1 333.476 1.940 20 0 EDADMP CC(C)C[C@@H]([NH3+])CN1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000414694343 304128254 /nfs/dbraw/zinc/12/82/54/304128254.db2.gz NGBFLZYHNURSCA-MSOLQXFVSA-N 2 1 326.529 1.087 20 0 EDADMP C[N@H+](Cc1nc2c(s1)CCCC2)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414707801 304130740 /nfs/dbraw/zinc/13/07/40/304130740.db2.gz ZBQXMIPCLXHKLU-CYBMUJFWSA-N 2 1 336.505 1.651 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@@H](O)C(C)C)C2)CC1 ZINC000451523860 305350910 /nfs/dbraw/zinc/35/09/10/305350910.db2.gz AWGOXXFHQDCTIA-QZTJIDSGSA-N 2 1 325.497 1.270 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@@H](O)C(C)C)C2)CC1 ZINC000451523860 305350911 /nfs/dbraw/zinc/35/09/11/305350911.db2.gz AWGOXXFHQDCTIA-QZTJIDSGSA-N 2 1 325.497 1.270 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)C(C)C)C2)CC1 ZINC000451523860 305350908 /nfs/dbraw/zinc/35/09/08/305350908.db2.gz AWGOXXFHQDCTIA-QZTJIDSGSA-N 2 1 325.497 1.270 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)C(C)C)C2)CC1 ZINC000451523860 305350909 /nfs/dbraw/zinc/35/09/09/305350909.db2.gz AWGOXXFHQDCTIA-QZTJIDSGSA-N 2 1 325.497 1.270 20 0 EDADMP CCN(CC)CC[N@@H+](CC(C)C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414716887 304131951 /nfs/dbraw/zinc/13/19/51/304131951.db2.gz YTPRHUIDSKQFCK-QGZVFWFLSA-N 2 1 326.529 1.484 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000414773149 304139429 /nfs/dbraw/zinc/13/94/29/304139429.db2.gz WKWUFFGRSKIUKJ-IYBDPMFKSA-N 2 1 334.464 1.494 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333945784 284057915 /nfs/dbraw/zinc/05/79/15/284057915.db2.gz TZYCECMWEFZQQR-IKGGRYGDSA-N 2 1 329.448 1.364 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333945784 284057916 /nfs/dbraw/zinc/05/79/16/284057916.db2.gz TZYCECMWEFZQQR-IKGGRYGDSA-N 2 1 329.448 1.364 20 0 EDADMP O=C(COc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1)N1CCCC1 ZINC000414828774 304145775 /nfs/dbraw/zinc/14/57/75/304145775.db2.gz MTECXRYUUDHYCD-MRXNPFEDSA-N 2 1 331.460 1.777 20 0 EDADMP Cn1ccnc1COc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415117275 304161296 /nfs/dbraw/zinc/16/12/96/304161296.db2.gz WVXPIBRHEMOLNY-QGZVFWFLSA-N 2 1 330.432 1.549 20 0 EDADMP Cn1ccnc1COc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415117275 304161298 /nfs/dbraw/zinc/16/12/98/304161298.db2.gz WVXPIBRHEMOLNY-QGZVFWFLSA-N 2 1 330.432 1.549 20 0 EDADMP c1cc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c2c(c1)OCCO2 ZINC000415125801 304162189 /nfs/dbraw/zinc/16/21/89/304162189.db2.gz FLGAZYABVZOBQR-CVEARBPZSA-N 2 1 330.428 1.658 20 0 EDADMP COc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(OC)c1 ZINC000415134248 304162586 /nfs/dbraw/zinc/16/25/86/304162586.db2.gz OGUASIRSACZEKJ-SJORKVTESA-N 2 1 332.444 1.904 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415137582 304163111 /nfs/dbraw/zinc/16/31/11/304163111.db2.gz FSLMCKAXUSBQMS-AWEZNQCLSA-N 2 1 345.447 1.442 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2F)CC1 ZINC000195253888 139011507 /nfs/dbraw/zinc/01/15/07/139011507.db2.gz RIYMXBLNMLTKFD-IYBDPMFKSA-N 2 1 346.450 1.259 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415146093 304164724 /nfs/dbraw/zinc/16/47/24/304164724.db2.gz GCBDSHBOJFPHBQ-CVEARBPZSA-N 2 1 330.432 1.169 20 0 EDADMP COc1ccccc1C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415143583 304164381 /nfs/dbraw/zinc/16/43/81/304164381.db2.gz SWJHXKJZJCFXIW-IRXDYDNUSA-N 2 1 344.459 1.415 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000078647904 217094719 /nfs/dbraw/zinc/09/47/19/217094719.db2.gz NMTSFYHUMOWQAL-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000236631274 139027229 /nfs/dbraw/zinc/02/72/29/139027229.db2.gz QPXHNEUNMRGRIX-GOSISDBHSA-N 2 1 331.460 1.523 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000415158520 304167724 /nfs/dbraw/zinc/16/77/24/304167724.db2.gz FPLNTKGNXODRIQ-NVXWUHKLSA-N 2 1 344.459 1.287 20 0 EDADMP COCC[C@H](C)NC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1 ZINC000237113571 139041033 /nfs/dbraw/zinc/04/10/33/139041033.db2.gz GZHULTXALWQTCI-YOEHRIQHSA-N 2 1 330.432 1.342 20 0 EDADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])Cc1ccccc1)Cc1ccc(F)cc1 ZINC000237143626 139042064 /nfs/dbraw/zinc/04/20/64/139042064.db2.gz RRSGIPXUHWQVSC-SFHVURJKSA-N 2 1 329.419 1.944 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC3CCC([NH3+])CC3)cc2)CC1 ZINC000237213477 139044559 /nfs/dbraw/zinc/04/45/59/139044559.db2.gz ZNYSKWCCKDVCNW-UHFFFAOYSA-N 2 1 330.476 1.434 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000237215307 139044646 /nfs/dbraw/zinc/04/46/46/139044646.db2.gz LLMQGKXLDOZOAB-IBGZPJMESA-N 2 1 330.476 1.050 20 0 EDADMP CN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237269440 139046178 /nfs/dbraw/zinc/04/61/78/139046178.db2.gz IHXNPCPVLXGADL-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237496803 139052577 /nfs/dbraw/zinc/05/25/77/139052577.db2.gz ZLRNANKCGKKOKE-BBRMVZONSA-N 2 1 337.851 1.534 20 0 EDADMP COC(=O)[C@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000337485529 284364948 /nfs/dbraw/zinc/36/49/48/284364948.db2.gz YLYGGCFTMVBGTB-SJORKVTESA-N 2 1 325.497 1.534 20 0 EDADMP Cc1nccn1-c1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2)cn1 ZINC000237649842 139056936 /nfs/dbraw/zinc/05/69/36/139056936.db2.gz KNVQBOBMDYUKLB-SFHVURJKSA-N 2 1 347.422 1.906 20 0 EDADMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245430040 139074106 /nfs/dbraw/zinc/07/41/06/139074106.db2.gz NKQBBZDUZRKFBO-IAGOWNOFSA-N 2 1 338.540 1.782 20 0 EDADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245430040 139074107 /nfs/dbraw/zinc/07/41/07/139074107.db2.gz NKQBBZDUZRKFBO-IAGOWNOFSA-N 2 1 338.540 1.782 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC000415261684 304180897 /nfs/dbraw/zinc/18/08/97/304180897.db2.gz ZLLQWSSAEFRHAJ-CQSZACIVSA-N 2 1 344.459 1.287 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000246184966 139098133 /nfs/dbraw/zinc/09/81/33/139098133.db2.gz MBAALXCUKBPMOV-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000246184966 139098134 /nfs/dbraw/zinc/09/81/34/139098134.db2.gz MBAALXCUKBPMOV-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000246184966 139098135 /nfs/dbraw/zinc/09/81/35/139098135.db2.gz MBAALXCUKBPMOV-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP CN1CCO[C@H](CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000246786881 139121696 /nfs/dbraw/zinc/12/16/96/139121696.db2.gz RASNFIYPAHSCMS-QZTJIDSGSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000246962821 139128830 /nfs/dbraw/zinc/12/88/30/139128830.db2.gz IEDJNPWTPLNFOD-ZBFHGGJFSA-N 2 1 332.448 1.331 20 0 EDADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)c1)C1CC1 ZINC000415349801 304200873 /nfs/dbraw/zinc/20/08/73/304200873.db2.gz DRMWERPCIWSISQ-OAHLLOKOSA-N 2 1 344.459 1.069 20 0 EDADMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248561317 139167440 /nfs/dbraw/zinc/16/74/40/139167440.db2.gz GCJYEYZKKKDAGN-HLLBOEOZSA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[C@H](C(=O)N(C)CC[NH+](C)C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248561317 139167441 /nfs/dbraw/zinc/16/74/41/139167441.db2.gz GCJYEYZKKKDAGN-HLLBOEOZSA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[C@H](C(=O)N(C)CC[NH+](C)C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248561317 139167442 /nfs/dbraw/zinc/16/74/42/139167442.db2.gz GCJYEYZKKKDAGN-HLLBOEOZSA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248561317 139167443 /nfs/dbraw/zinc/16/74/43/139167443.db2.gz GCJYEYZKKKDAGN-HLLBOEOZSA-N 2 1 325.497 1.673 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)[C@@H](C)C1 ZINC000249416600 139193032 /nfs/dbraw/zinc/19/30/32/139193032.db2.gz GQWBRCNLAMKPJQ-DOTOQJQBSA-N 2 1 341.496 1.008 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)[C@@H](C)C1 ZINC000249416600 139193033 /nfs/dbraw/zinc/19/30/33/139193033.db2.gz GQWBRCNLAMKPJQ-DOTOQJQBSA-N 2 1 341.496 1.008 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C)C(C)C ZINC000410475620 250319136 /nfs/dbraw/zinc/31/91/36/250319136.db2.gz MZSUFZMTSBEGKH-INIZCTEOSA-N 2 1 340.512 1.116 20 0 EDADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000249782271 139198658 /nfs/dbraw/zinc/19/86/58/139198658.db2.gz QGUCYSXAHCCURW-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000249782271 139198659 /nfs/dbraw/zinc/19/86/59/139198659.db2.gz QGUCYSXAHCCURW-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP Fc1ccc(-c2noc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000261602601 139209858 /nfs/dbraw/zinc/20/98/58/139209858.db2.gz BRZHITNRDFOIAM-OAHLLOKOSA-N 2 1 331.395 1.355 20 0 EDADMP Fc1ccc(-c2noc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000261602601 139209859 /nfs/dbraw/zinc/20/98/59/139209859.db2.gz BRZHITNRDFOIAM-OAHLLOKOSA-N 2 1 331.395 1.355 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](CCOCC(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000261613366 139211111 /nfs/dbraw/zinc/21/11/11/139211111.db2.gz BHIUZQMLOLICFB-STQMWFEESA-N 2 1 337.386 1.146 20 0 EDADMP COc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1OC(F)F ZINC000261636364 139213136 /nfs/dbraw/zinc/21/31/36/139213136.db2.gz HVZUWTHDLAKHAO-CQSZACIVSA-N 2 1 341.402 1.776 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000261683203 139217183 /nfs/dbraw/zinc/21/71/83/139217183.db2.gz KDCFQTFKRISMNZ-SFHVURJKSA-N 3 1 336.524 1.393 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC000261687363 139217583 /nfs/dbraw/zinc/21/75/83/139217583.db2.gz AXDCVOFLNQSPLC-LJQANCHMSA-N 2 1 330.476 1.245 20 0 EDADMP CN(C)C(=O)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)[nH]1 ZINC000261785705 139225757 /nfs/dbraw/zinc/22/57/57/139225757.db2.gz UKPHSZGSLFTYHD-WBVHZDCISA-N 2 1 326.444 1.891 20 0 EDADMP CN(C)C(=O)c1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)[nH]1 ZINC000261785705 139225758 /nfs/dbraw/zinc/22/57/58/139225758.db2.gz UKPHSZGSLFTYHD-WBVHZDCISA-N 2 1 326.444 1.891 20 0 EDADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)s2)cn1 ZINC000261941867 139238917 /nfs/dbraw/zinc/23/89/17/139238917.db2.gz MVZZPZWJZGJMEA-CYBMUJFWSA-N 2 1 347.488 1.436 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261936834 139238493 /nfs/dbraw/zinc/23/84/93/139238493.db2.gz KCLPQOGASVTMQV-DOMZBBRYSA-N 2 1 339.892 1.908 20 0 EDADMP c1ccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)nc1 ZINC000261959223 139240125 /nfs/dbraw/zinc/24/01/25/139240125.db2.gz PIVZGEGJGMCXGM-XUVXKRRUSA-N 2 1 344.503 1.793 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1OC(F)F ZINC000262146911 139255046 /nfs/dbraw/zinc/25/50/46/139255046.db2.gz QMKLTLPTVVEUJE-AWEZNQCLSA-N 2 1 341.402 1.776 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1OC(F)F ZINC000262146911 139255047 /nfs/dbraw/zinc/25/50/47/139255047.db2.gz QMKLTLPTVVEUJE-AWEZNQCLSA-N 2 1 341.402 1.776 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416883674 251117617 /nfs/dbraw/zinc/11/76/17/251117617.db2.gz OISXNOPBLOIQBE-GOSISDBHSA-N 2 1 346.475 1.460 20 0 EDADMP COCC1(CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000417002641 251127377 /nfs/dbraw/zinc/12/73/77/251127377.db2.gz AUAACJOAUYQUKT-JKSUJKDBSA-N 2 1 340.512 1.422 20 0 EDADMP CC[C@H](CNC(=O)N1CC[NH2+][C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000417007177 251128114 /nfs/dbraw/zinc/12/81/14/251128114.db2.gz GVBOKAGKOXUKDK-MAUKXSAKSA-N 2 1 330.476 1.827 20 0 EDADMP CN(C(=O)NCC[N@H+]1CCc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417010720 251131014 /nfs/dbraw/zinc/13/10/14/251131014.db2.gz QACOTFYPWDCBMG-DFNIBXOVSA-N 2 1 342.487 1.969 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@@H]1CCC[NH2+]C1 ZINC000417014499 251132325 /nfs/dbraw/zinc/13/23/25/251132325.db2.gz DLJPEJJDDBFMEJ-MRXNPFEDSA-N 2 1 330.476 1.734 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H](C)C[NH3+])cc2)CC1 ZINC000417000255 251125315 /nfs/dbraw/zinc/12/53/15/251125315.db2.gz YUAUOYFBMKSACS-INIZCTEOSA-N 2 1 347.507 1.218 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417001682 251126706 /nfs/dbraw/zinc/12/67/06/251126706.db2.gz FDOCOHXWSRAYDR-AEFFLSMTSA-N 2 1 328.460 1.296 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000417308475 251153625 /nfs/dbraw/zinc/15/36/25/251153625.db2.gz CRLSULCXALCEPP-HZPDHXFCSA-N 2 1 330.476 1.684 20 0 EDADMP Cc1ccc([C@H](CNC(=O)NCC(F)(F)C[NH3+])[NH+]2CCCC2)o1 ZINC000417423998 251167853 /nfs/dbraw/zinc/16/78/53/251167853.db2.gz SWPOBJCTUCWTTN-LBPRGKRZSA-N 2 1 330.379 1.618 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417306828 251154357 /nfs/dbraw/zinc/15/43/57/251154357.db2.gz ATWLHTQQVIKFAZ-DNVCBOLYSA-N 2 1 330.476 1.814 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000417498693 251181516 /nfs/dbraw/zinc/18/15/16/251181516.db2.gz DITAAXZWQLGSBG-ROUUACIJSA-N 2 1 348.491 1.829 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262360473 139272941 /nfs/dbraw/zinc/27/29/41/139272941.db2.gz VCWAZLYJDJLXJS-LUYZLQTOSA-N 2 1 337.489 1.624 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262360473 139272942 /nfs/dbraw/zinc/27/29/42/139272942.db2.gz VCWAZLYJDJLXJS-LUYZLQTOSA-N 2 1 337.489 1.624 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1ccccc1 ZINC000417494122 251179467 /nfs/dbraw/zinc/17/94/67/251179467.db2.gz OYIOWZUGQHBRBL-VYDXJSESSA-N 2 1 336.480 1.731 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000417666360 251219508 /nfs/dbraw/zinc/21/95/08/251219508.db2.gz CPVVELCNQNKOPE-CWRNSKLLSA-N 2 1 326.485 1.160 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417615921 251207612 /nfs/dbraw/zinc/20/76/12/251207612.db2.gz YJJWWLONVAQVEJ-IRXDYDNUSA-N 2 1 340.512 1.646 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000417667223 251220811 /nfs/dbraw/zinc/22/08/11/251220811.db2.gz GFUNCOBGTIJKRP-PMPSAXMXSA-N 2 1 326.485 1.175 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000417723775 251242231 /nfs/dbraw/zinc/24/22/31/251242231.db2.gz CIPHFUTTWXIJFD-INIZCTEOSA-N 2 1 345.491 2.000 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417721469 251243333 /nfs/dbraw/zinc/24/33/33/251243333.db2.gz AKQOYUGVZASGHH-JKSUJKDBSA-N 2 1 333.480 1.234 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417736619 251248848 /nfs/dbraw/zinc/24/88/48/251248848.db2.gz VAWSINLLUPFYFW-IAGOWNOFSA-N 2 1 347.507 1.352 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NCC[NH2+]C2CCCCCC2)n1C ZINC000417837812 251292694 /nfs/dbraw/zinc/29/26/94/251292694.db2.gz IHTOVXUCHMJRSF-UHFFFAOYSA-N 2 1 336.484 1.598 20 0 EDADMP C[C@@H](CCNC(=O)NCCN1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000417807942 251278096 /nfs/dbraw/zinc/27/80/96/251278096.db2.gz DVZGMEZETRIXJB-KRWDZBQOSA-N 2 1 347.507 1.101 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000417816347 251282396 /nfs/dbraw/zinc/28/23/96/251282396.db2.gz PYSKHNULCJVHCG-CVEARBPZSA-N 2 1 326.485 1.256 20 0 EDADMP CC[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417888056 251315676 /nfs/dbraw/zinc/31/56/76/251315676.db2.gz IJTHPWVHODWIMX-XYVMCAHJSA-N 2 1 348.491 1.701 20 0 EDADMP CC[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417888056 251315679 /nfs/dbraw/zinc/31/56/79/251315679.db2.gz IJTHPWVHODWIMX-XYVMCAHJSA-N 2 1 348.491 1.701 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCCO[C@@H](C[NH3+])C1)CCC(F)(F)F ZINC000418078014 251321666 /nfs/dbraw/zinc/32/16/66/251321666.db2.gz MZLWDWKEVXDDCO-LBPRGKRZSA-N 2 1 340.390 1.020 20 0 EDADMP [NH3+]CC[C@H](NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)F ZINC000418109619 251324830 /nfs/dbraw/zinc/32/48/30/251324830.db2.gz VAKRDGQTKRJWBR-GJZGRUSLSA-N 2 1 340.418 1.790 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000418128741 251336998 /nfs/dbraw/zinc/33/69/98/251336998.db2.gz AWHBUYNLHZQJHV-XDNAFOTISA-N 2 1 328.460 1.414 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000418709546 251391392 /nfs/dbraw/zinc/39/13/92/251391392.db2.gz URPSXNYYGNAJLG-LTIDMASMSA-N 2 1 340.512 1.787 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000418714049 251393129 /nfs/dbraw/zinc/39/31/29/251393129.db2.gz HSTVZCWZQDMVSS-JKSUJKDBSA-N 2 1 331.464 1.739 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@H](CC[NH3+])C(F)F)CC2)c1 ZINC000418715271 251393153 /nfs/dbraw/zinc/39/31/53/251393153.db2.gz REQOHKRFFCLUGW-OAHLLOKOSA-N 2 1 340.418 1.805 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@H+]1CCOC ZINC000418623583 251380689 /nfs/dbraw/zinc/38/06/89/251380689.db2.gz OFKGBOGCUVMJKI-SJORKVTESA-N 2 1 340.512 1.646 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262618085 139290510 /nfs/dbraw/zinc/29/05/10/139290510.db2.gz ICDRVAGZSTUHQY-RCCFBDPRSA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262618085 139290511 /nfs/dbraw/zinc/29/05/11/139290511.db2.gz ICDRVAGZSTUHQY-RCCFBDPRSA-N 2 1 331.460 1.521 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000262715750 139298407 /nfs/dbraw/zinc/29/84/07/139298407.db2.gz VJHOHRBHFRGQQL-DAYGRLMNSA-N 2 1 325.497 1.852 20 0 EDADMP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422889622 252012364 /nfs/dbraw/zinc/01/23/64/252012364.db2.gz PYRZVRBFXKOZHR-APWZRJJASA-N 3 1 346.519 1.991 20 0 EDADMP COCC[N@H+]1CC[C@H](N[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000422890266 252013394 /nfs/dbraw/zinc/01/33/94/252013394.db2.gz RPJFYIKALKESCA-WDSOQIARSA-N 2 1 333.476 1.799 20 0 EDADMP C[NH+](C)CCOc1cccc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422897160 252014804 /nfs/dbraw/zinc/01/48/04/252014804.db2.gz JFNBAENDGCEGHG-VAMGGRTRSA-N 2 1 347.503 1.874 20 0 EDADMP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422900022 252017121 /nfs/dbraw/zinc/01/71/21/252017121.db2.gz IQWJVOGPENFJTR-HOTGVXAUSA-N 2 1 325.478 1.484 20 0 EDADMP COc1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1Cl ZINC000423155309 252039995 /nfs/dbraw/zinc/03/99/95/252039995.db2.gz IVTWENBMTDAUDJ-NWANDNLSSA-N 2 1 325.840 1.990 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423776252 252068948 /nfs/dbraw/zinc/06/89/48/252068948.db2.gz AKLPWKLFUFOVSN-WZYMTQMTSA-N 2 1 337.464 1.003 20 0 EDADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000423959811 252108707 /nfs/dbraw/zinc/10/87/07/252108707.db2.gz XTJHDQZQSPHEQU-OPQOLIRYSA-N 2 1 336.524 1.617 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423797367 252079150 /nfs/dbraw/zinc/07/91/50/252079150.db2.gz MKEKZEKWYNZHSQ-INIZCTEOSA-N 2 1 325.497 1.583 20 0 EDADMP Cn1cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424142550 252142186 /nfs/dbraw/zinc/14/21/86/252142186.db2.gz YKQRWXPWSWVFMV-KBPBESRZSA-N 2 1 331.464 1.101 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424144844 252143642 /nfs/dbraw/zinc/14/36/42/252143642.db2.gz MFQDOTHZWKZTMV-JKSUJKDBSA-N 2 1 346.479 1.197 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000424464578 252238774 /nfs/dbraw/zinc/23/87/74/252238774.db2.gz ITLLZMJPKGCHMN-BBRMVZONSA-N 2 1 332.448 1.333 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000111834694 285023655 /nfs/dbraw/zinc/02/36/55/285023655.db2.gz JHIRJDVAQKZWIU-MRXNPFEDSA-N 2 1 340.512 1.659 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(N(C)C)ccn1 ZINC000263663397 139350856 /nfs/dbraw/zinc/35/08/56/139350856.db2.gz HJCCAMHUDXUJIE-QGZVFWFLSA-N 2 1 347.507 1.636 20 0 EDADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000493979449 255229344 /nfs/dbraw/zinc/22/93/44/255229344.db2.gz ZXGBOOPBCFLHJB-JQHSSLGASA-N 2 1 333.476 1.940 20 0 EDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496162711 255359569 /nfs/dbraw/zinc/35/95/69/255359569.db2.gz WTQSQLNGQWRFEQ-CQSZACIVSA-N 2 1 326.441 1.399 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C1CC1 ZINC000496174914 255361215 /nfs/dbraw/zinc/36/12/15/255361215.db2.gz QZCKBHNGTNBHBL-ARFHVFGLSA-N 2 1 341.496 1.867 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C1CC1 ZINC000496174914 255361216 /nfs/dbraw/zinc/36/12/16/255361216.db2.gz QZCKBHNGTNBHBL-ARFHVFGLSA-N 2 1 341.496 1.867 20 0 EDADMP COC1CCC([N@@H+](C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000496358880 255386240 /nfs/dbraw/zinc/38/62/40/255386240.db2.gz LDKXVIFHKMOKKN-HTWSVDAQSA-N 2 1 337.464 1.750 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496622632 255412731 /nfs/dbraw/zinc/41/27/31/255412731.db2.gz JXOAETMEDNPGIR-CYBMUJFWSA-N 2 1 327.473 1.357 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC(C)C ZINC000355404807 285282550 /nfs/dbraw/zinc/28/25/50/285282550.db2.gz CAKTXUYWVIDCEX-INIZCTEOSA-N 2 1 333.542 1.710 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC(C)C ZINC000355404807 285282552 /nfs/dbraw/zinc/28/25/52/285282552.db2.gz CAKTXUYWVIDCEX-INIZCTEOSA-N 2 1 333.542 1.710 20 0 EDADMP CC[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000117343732 221054851 /nfs/dbraw/zinc/05/48/51/221054851.db2.gz YJYIEVNQDHIFSU-ZWKOTPCHSA-N 2 1 339.524 1.972 20 0 EDADMP CC[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000117343732 221054854 /nfs/dbraw/zinc/05/48/54/221054854.db2.gz YJYIEVNQDHIFSU-ZWKOTPCHSA-N 2 1 339.524 1.972 20 0 EDADMP CC[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000117343732 221054857 /nfs/dbraw/zinc/05/48/57/221054857.db2.gz YJYIEVNQDHIFSU-ZWKOTPCHSA-N 2 1 339.524 1.972 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415920297 304285521 /nfs/dbraw/zinc/28/55/21/304285521.db2.gz JRMJBLOKMAYSMC-GASCZTMLSA-N 2 1 334.464 1.979 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415920297 304285522 /nfs/dbraw/zinc/28/55/22/304285522.db2.gz JRMJBLOKMAYSMC-GASCZTMLSA-N 2 1 334.464 1.979 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)c1 ZINC000415928376 304285869 /nfs/dbraw/zinc/28/58/69/304285869.db2.gz FJLXGPUSDLHCTA-IRXDYDNUSA-N 2 1 334.464 1.979 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000166381206 533646871 /nfs/dbraw/zinc/64/68/71/533646871.db2.gz IAGROUHFJLQPFY-IRXDYDNUSA-N 2 1 335.517 1.748 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000270573413 140126409 /nfs/dbraw/zinc/12/64/09/140126409.db2.gz VRLLPSPSQNWOHI-IBGZPJMESA-N 2 1 345.487 1.811 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccnn3C)CC2)CC1 ZINC000331985889 141106778 /nfs/dbraw/zinc/10/67/78/141106778.db2.gz YWJPSPALHRMOMJ-UHFFFAOYSA-N 2 1 333.480 1.200 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000333073530 141259276 /nfs/dbraw/zinc/25/92/76/141259276.db2.gz ASCMAVWVYIDGAT-OAHLLOKOSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000333073530 141259278 /nfs/dbraw/zinc/25/92/78/141259278.db2.gz ASCMAVWVYIDGAT-OAHLLOKOSA-N 2 1 338.496 1.101 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000333405719 141312848 /nfs/dbraw/zinc/31/28/48/141312848.db2.gz GCRLVXVZHJRXQX-GJZGRUSLSA-N 2 1 344.463 1.825 20 0 EDADMP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)NC1CCCCCC1 ZINC000333635308 141348377 /nfs/dbraw/zinc/34/83/77/141348377.db2.gz BJIPLYNWEYVSQF-SJORKVTESA-N 2 1 335.492 1.526 20 0 EDADMP C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000333701009 141361200 /nfs/dbraw/zinc/36/12/00/141361200.db2.gz QUYTXKNXMLGDET-ARFHVFGLSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000333718085 141364725 /nfs/dbraw/zinc/36/47/25/141364725.db2.gz UCLVKSQIXFJKPT-QKPAOTATSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000333718085 141364726 /nfs/dbraw/zinc/36/47/26/141364726.db2.gz UCLVKSQIXFJKPT-QKPAOTATSA-N 2 1 326.485 1.125 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000333728940 141367737 /nfs/dbraw/zinc/36/77/37/141367737.db2.gz VTWBTAHBOUCHTJ-CJNGLKHVSA-N 2 1 332.448 1.941 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000333769357 141377765 /nfs/dbraw/zinc/37/77/65/141377765.db2.gz BUVQZQDKCKGRTE-JFIYKMOQSA-N 2 1 338.496 1.128 20 0 EDADMP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333810116 141385586 /nfs/dbraw/zinc/38/55/86/141385586.db2.gz FKJFSZNHBBEITN-VQHPVUNQSA-N 2 1 335.492 1.382 20 0 EDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000338569688 141835066 /nfs/dbraw/zinc/83/50/66/141835066.db2.gz LIOCZGYFGOGPJM-HZPDHXFCSA-N 2 1 325.497 1.534 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000339922448 142200857 /nfs/dbraw/zinc/20/08/57/142200857.db2.gz NFRXDTJPHCFBOC-UHFFFAOYSA-N 2 1 340.512 1.071 20 0 EDADMP OCC[C@@H]1CSCC[NH+]1C/C=C/C[N@@H+]1CCSC[C@@H]1CCO ZINC000340206388 142302737 /nfs/dbraw/zinc/30/27/37/142302737.db2.gz XJJXRICQPPFTHK-YVFUIXNUSA-N 2 1 346.562 1.142 20 0 EDADMP OCC[C@@H]1CSCC[N@H+]1C/C=C/C[NH+]1CCSC[C@@H]1CCO ZINC000340206388 142302738 /nfs/dbraw/zinc/30/27/38/142302738.db2.gz XJJXRICQPPFTHK-YVFUIXNUSA-N 2 1 346.562 1.142 20 0 EDADMP OCC[C@@H]1CSCC[N@@H+]1C/C=C/C[NH+]1CCSC[C@@H]1CCO ZINC000340206388 142302739 /nfs/dbraw/zinc/30/27/39/142302739.db2.gz XJJXRICQPPFTHK-YVFUIXNUSA-N 2 1 346.562 1.142 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000345112337 143051885 /nfs/dbraw/zinc/05/18/85/143051885.db2.gz KTTPQKGQJWNUFH-OAHLLOKOSA-N 2 1 334.464 1.980 20 0 EDADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000345112337 143051886 /nfs/dbraw/zinc/05/18/86/143051886.db2.gz KTTPQKGQJWNUFH-OAHLLOKOSA-N 2 1 334.464 1.980 20 0 EDADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000345112337 143051887 /nfs/dbraw/zinc/05/18/87/143051887.db2.gz KTTPQKGQJWNUFH-OAHLLOKOSA-N 2 1 334.464 1.980 20 0 EDADMP C[C@H]1[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCC[N@@H+]1C ZINC000345289695 143073708 /nfs/dbraw/zinc/07/37/08/143073708.db2.gz KPXQCKOIJUYKGP-PKOBYXMFSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H]1[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCC[N@H+]1C ZINC000345289695 143073709 /nfs/dbraw/zinc/07/37/09/143073709.db2.gz KPXQCKOIJUYKGP-PKOBYXMFSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000345307207 143075946 /nfs/dbraw/zinc/07/59/46/143075946.db2.gz MABZJUAWBZWQCG-CALCHBBNSA-N 2 1 347.507 1.679 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCC[N@H+]1C ZINC000345328943 143078766 /nfs/dbraw/zinc/07/87/66/143078766.db2.gz UZNXNUPLXYHXDY-MJGOQNOKSA-N 2 1 344.503 1.798 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000345739104 143127485 /nfs/dbraw/zinc/12/74/85/143127485.db2.gz NIAMJLQABPVHOW-CABCVRRESA-N 2 1 326.485 1.221 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000346133168 143171013 /nfs/dbraw/zinc/17/10/13/143171013.db2.gz DDMMHPNERUJRCN-UHFFFAOYSA-N 2 1 338.540 1.594 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000346252644 143183860 /nfs/dbraw/zinc/18/38/60/143183860.db2.gz LPPKIDAYVWDXBH-BRWVUGGUSA-N 2 1 339.524 1.968 20 0 EDADMP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)CCO3)C2)C1 ZINC000346301759 143189139 /nfs/dbraw/zinc/18/91/39/143189139.db2.gz VWYVTMNLOJPIPO-ICSRJNTNSA-N 2 1 343.471 1.442 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)CCO3)C2)C1 ZINC000346301759 143189140 /nfs/dbraw/zinc/18/91/40/143189140.db2.gz VWYVTMNLOJPIPO-ICSRJNTNSA-N 2 1 343.471 1.442 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)C1 ZINC000346301759 143189141 /nfs/dbraw/zinc/18/91/41/143189141.db2.gz VWYVTMNLOJPIPO-ICSRJNTNSA-N 2 1 343.471 1.442 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)C1 ZINC000346301759 143189142 /nfs/dbraw/zinc/18/91/42/143189142.db2.gz VWYVTMNLOJPIPO-ICSRJNTNSA-N 2 1 343.471 1.442 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000346533940 143214345 /nfs/dbraw/zinc/21/43/45/143214345.db2.gz USSHBWDNTGMGQZ-JHNDHUHGSA-N 2 1 331.464 1.958 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000347032254 143274258 /nfs/dbraw/zinc/27/42/58/143274258.db2.gz ZQRHIVQBDRUASK-OAHLLOKOSA-N 2 1 348.466 1.713 20 0 EDADMP Cn1cnc2cc(C[N@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)ccc21 ZINC000347157017 143288715 /nfs/dbraw/zinc/28/87/15/143288715.db2.gz DYFMZFVMZOHHHY-INIZCTEOSA-N 2 1 341.459 1.217 20 0 EDADMP CSCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000347640403 143344480 /nfs/dbraw/zinc/34/44/80/143344480.db2.gz XKUMGEMRTJDDNR-CQSZACIVSA-N 2 1 329.510 1.218 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCC([N@H+](C)CCCO)CC2)s1 ZINC000347875686 143373565 /nfs/dbraw/zinc/37/35/65/143373565.db2.gz WWZTYARXVBLPFF-UHFFFAOYSA-N 2 1 326.510 1.483 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCC([N@@H+](C)CCCO)CC2)s1 ZINC000347875686 143373566 /nfs/dbraw/zinc/37/35/66/143373566.db2.gz WWZTYARXVBLPFF-UHFFFAOYSA-N 2 1 326.510 1.483 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)C1 ZINC000417667650 286060611 /nfs/dbraw/zinc/06/06/11/286060611.db2.gz HBUXNCOIKUUDSV-NCOADZHNSA-N 2 1 338.496 1.127 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000416859153 304352411 /nfs/dbraw/zinc/35/24/11/304352411.db2.gz ZNYNZXQEJJSERL-LZWOXQAQSA-N 2 1 334.464 1.738 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000352639966 149098087 /nfs/dbraw/zinc/09/80/87/149098087.db2.gz JXPMXKMHSBUNRY-MJGOQNOKSA-N 2 1 347.503 1.791 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000352729332 149133561 /nfs/dbraw/zinc/13/35/61/149133561.db2.gz VLKQXKNPZMIIJQ-OAHLLOKOSA-N 2 1 326.510 1.305 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416964747 304356274 /nfs/dbraw/zinc/35/62/74/304356274.db2.gz CSHRYMGXPQVAJQ-HRCADAONSA-N 2 1 348.491 1.703 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000369930177 155241027 /nfs/dbraw/zinc/24/10/27/155241027.db2.gz XBXGJPNFGLOULT-IAGOWNOFSA-N 2 1 335.492 1.717 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000416971395 304357703 /nfs/dbraw/zinc/35/77/03/304357703.db2.gz GQUQCSNOKNRHED-INIZCTEOSA-N 2 1 327.517 1.027 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC000355351908 150228573 /nfs/dbraw/zinc/22/85/73/150228573.db2.gz UVYLKQHGOPRVPY-ROUUACIJSA-N 2 1 331.460 1.683 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417027584 304362057 /nfs/dbraw/zinc/36/20/57/304362057.db2.gz NSTYNLUWKLJINS-UHFFFAOYSA-N 2 1 326.391 1.328 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417027584 304362061 /nfs/dbraw/zinc/36/20/61/304362061.db2.gz NSTYNLUWKLJINS-UHFFFAOYSA-N 2 1 326.391 1.328 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000357404883 151021060 /nfs/dbraw/zinc/02/10/60/151021060.db2.gz AHJYLNWXWBIAND-GDBMZVCRSA-N 2 1 331.464 1.046 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000357404876 151021290 /nfs/dbraw/zinc/02/12/90/151021290.db2.gz KYJYRPXKJLUOJV-SJORKVTESA-N 2 1 337.508 1.963 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000357404876 151021293 /nfs/dbraw/zinc/02/12/93/151021293.db2.gz KYJYRPXKJLUOJV-SJORKVTESA-N 2 1 337.508 1.963 20 0 EDADMP CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000357553896 151065919 /nfs/dbraw/zinc/06/59/19/151065919.db2.gz PTJZFZSTWGCAOE-BBWFWOEESA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000357553896 151065920 /nfs/dbraw/zinc/06/59/20/151065920.db2.gz PTJZFZSTWGCAOE-BBWFWOEESA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000357553896 151065921 /nfs/dbraw/zinc/06/59/21/151065921.db2.gz PTJZFZSTWGCAOE-BBWFWOEESA-N 2 1 325.497 1.722 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CCO)C2)CC1 ZINC000357944587 151205086 /nfs/dbraw/zinc/20/50/86/151205086.db2.gz HYYOTHHFSGCNDU-MSOLQXFVSA-N 2 1 345.487 1.596 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CCO)C2)CC1 ZINC000357944587 151205088 /nfs/dbraw/zinc/20/50/88/151205088.db2.gz HYYOTHHFSGCNDU-MSOLQXFVSA-N 2 1 345.487 1.596 20 0 EDADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000358037549 151242934 /nfs/dbraw/zinc/24/29/34/151242934.db2.gz QSJBOEWLDJJYFN-INIZCTEOSA-N 2 1 331.460 1.649 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000358037549 151242935 /nfs/dbraw/zinc/24/29/35/151242935.db2.gz QSJBOEWLDJJYFN-INIZCTEOSA-N 2 1 331.460 1.649 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000358037549 151242937 /nfs/dbraw/zinc/24/29/37/151242937.db2.gz QSJBOEWLDJJYFN-INIZCTEOSA-N 2 1 331.460 1.649 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000358037549 151242938 /nfs/dbraw/zinc/24/29/38/151242938.db2.gz QSJBOEWLDJJYFN-INIZCTEOSA-N 2 1 331.460 1.649 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000358096093 151268738 /nfs/dbraw/zinc/26/87/38/151268738.db2.gz DXCYPMZNVLOJOX-HOTGVXAUSA-N 2 1 336.480 1.001 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000358254775 151318078 /nfs/dbraw/zinc/31/80/78/151318078.db2.gz QDJGWJCXJWLPKK-NXEWRWPSSA-N 3 1 329.488 1.838 20 0 EDADMP C[NH+]1CC[C@](O)(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000358254775 151318082 /nfs/dbraw/zinc/31/80/82/151318082.db2.gz QDJGWJCXJWLPKK-NXEWRWPSSA-N 3 1 329.488 1.838 20 0 EDADMP C[NH+]1CC[C@](O)(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000358254775 151318084 /nfs/dbraw/zinc/31/80/84/151318084.db2.gz QDJGWJCXJWLPKK-NXEWRWPSSA-N 3 1 329.488 1.838 20 0 EDADMP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)C1 ZINC000358269065 151321500 /nfs/dbraw/zinc/32/15/00/151321500.db2.gz SSIFDBYLULNNCP-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000358286871 151326457 /nfs/dbraw/zinc/32/64/57/151326457.db2.gz BQSQSHDBTVTHPT-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCCCC1 ZINC000358464081 151386171 /nfs/dbraw/zinc/38/61/71/151386171.db2.gz LZXNGIBIEABNMD-MRXNPFEDSA-N 2 1 325.497 1.412 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417091188 304371680 /nfs/dbraw/zinc/37/16/80/304371680.db2.gz JDPFKFUFHDBGHH-UHFFFAOYSA-N 2 1 326.485 1.130 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000417110833 304373102 /nfs/dbraw/zinc/37/31/02/304373102.db2.gz LEOKUMBIBPKTMN-HZSPNIEDSA-N 2 1 336.505 1.887 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000417110833 304373103 /nfs/dbraw/zinc/37/31/03/304373103.db2.gz LEOKUMBIBPKTMN-HZSPNIEDSA-N 2 1 336.505 1.887 20 0 EDADMP C[C@H](C(=O)NC(C)(C)CC[NH+]1CCCCCC1)N1CC[NH+](C)CC1 ZINC000359528774 151744328 /nfs/dbraw/zinc/74/43/28/151744328.db2.gz DAQWLBABIOFCEA-QGZVFWFLSA-N 2 1 338.540 1.783 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360376568 152011935 /nfs/dbraw/zinc/01/19/35/152011935.db2.gz JFFLJCIYFSXTKA-RDJZCZTQSA-N 2 1 342.553 1.987 20 0 EDADMP Cn1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C(F)F)n1 ZINC000360966998 152265263 /nfs/dbraw/zinc/26/52/63/152265263.db2.gz TUAVCAMPXNNYRS-LLVKDONJSA-N 2 1 329.395 1.035 20 0 EDADMP Cn1cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C(F)F)n1 ZINC000360966998 152265267 /nfs/dbraw/zinc/26/52/67/152265267.db2.gz TUAVCAMPXNNYRS-LLVKDONJSA-N 2 1 329.395 1.035 20 0 EDADMP CCC(CC)[C@H](C(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000361098962 152304137 /nfs/dbraw/zinc/30/41/37/152304137.db2.gz UYZFTAYFFVNNNV-OKZBNKHCSA-N 2 1 337.508 1.628 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCN2CCCOCC2)[C@H](C)C1 ZINC000361337851 152365698 /nfs/dbraw/zinc/36/56/98/152365698.db2.gz YXJANIBNSBCOHO-QZTJIDSGSA-N 2 1 327.513 1.435 20 0 EDADMP CCCCS(=O)(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363640284 153019878 /nfs/dbraw/zinc/01/98/78/153019878.db2.gz XCUVVIPWXKAEDG-UHFFFAOYSA-N 2 1 345.553 1.902 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[N@H+](CC)C2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000363755279 153047407 /nfs/dbraw/zinc/04/74/07/153047407.db2.gz FTNMZVKREFJNRA-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[N@@H+](CC)C2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000363755279 153047410 /nfs/dbraw/zinc/04/74/10/153047410.db2.gz FTNMZVKREFJNRA-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)nc(C)[nH+]1 ZINC000363873508 153082045 /nfs/dbraw/zinc/08/20/45/153082045.db2.gz GARMZVYRLZRJLK-QGZVFWFLSA-N 2 1 345.491 1.910 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C[C@H]1[NH+]1CCOCC1 ZINC000363949608 153105331 /nfs/dbraw/zinc/10/53/31/153105331.db2.gz APCCDWNODPGFQV-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)C[C@H]1[NH+]1CCOCC1 ZINC000363949608 153105336 /nfs/dbraw/zinc/10/53/36/153105336.db2.gz APCCDWNODPGFQV-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](O)COC(C)(C)C ZINC000364349438 153212545 /nfs/dbraw/zinc/21/25/45/153212545.db2.gz AIBUUNYNMVLJBY-NCOADZHNSA-N 2 1 328.497 1.641 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364565345 153272146 /nfs/dbraw/zinc/27/21/46/153272146.db2.gz ZCTBNYPENAXVNJ-MJGOQNOKSA-N 2 1 329.444 1.135 20 0 EDADMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000367139693 154019624 /nfs/dbraw/zinc/01/96/24/154019624.db2.gz JVBCBEPABSDMEX-QZWWFDLISA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000367139693 154019626 /nfs/dbraw/zinc/01/96/26/154019626.db2.gz JVBCBEPABSDMEX-QZWWFDLISA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)C1 ZINC000367139693 154019628 /nfs/dbraw/zinc/01/96/28/154019628.db2.gz JVBCBEPABSDMEX-QZWWFDLISA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)C1 ZINC000367139693 154019629 /nfs/dbraw/zinc/01/96/29/154019629.db2.gz JVBCBEPABSDMEX-QZWWFDLISA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2C[NH+]3CCCC[C@@H]3CO2)C1 ZINC000367139692 154019824 /nfs/dbraw/zinc/01/98/24/154019824.db2.gz JVBCBEPABSDMEX-NCOADZHNSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2C[NH+]3CCCC[C@@H]3CO2)C1 ZINC000367139692 154019825 /nfs/dbraw/zinc/01/98/25/154019825.db2.gz JVBCBEPABSDMEX-NCOADZHNSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)C1 ZINC000367139692 154019826 /nfs/dbraw/zinc/01/98/26/154019826.db2.gz JVBCBEPABSDMEX-NCOADZHNSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)C1 ZINC000367139692 154019827 /nfs/dbraw/zinc/01/98/27/154019827.db2.gz JVBCBEPABSDMEX-NCOADZHNSA-N 2 1 338.496 1.268 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@H]([NH3+])C3CCOCC3)C[C@@H]2[C@H]1c1ccccc1 ZINC000367188178 154034413 /nfs/dbraw/zinc/03/44/13/154034413.db2.gz UHENNZOWOZJBLG-FCGDIQPGSA-N 2 1 343.471 1.502 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000367576573 154183100 /nfs/dbraw/zinc/18/31/00/154183100.db2.gz PTKSHDJWQBQFJC-HNNXBMFYSA-N 2 1 338.496 1.101 20 0 EDADMP C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367708719 154238657 /nfs/dbraw/zinc/23/86/57/154238657.db2.gz VSAIQDKTLIKKHP-GVDBMIGSSA-N 2 1 346.475 1.547 20 0 EDADMP C[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367708719 154238658 /nfs/dbraw/zinc/23/86/58/154238658.db2.gz VSAIQDKTLIKKHP-GVDBMIGSSA-N 2 1 346.475 1.547 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000368056759 154389445 /nfs/dbraw/zinc/38/94/45/154389445.db2.gz HZWRHXVXZWRSNN-UHFFFAOYSA-N 2 1 341.455 1.894 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000369395573 155011605 /nfs/dbraw/zinc/01/16/05/155011605.db2.gz NUGYNNWAYHUBNM-PVAVHDDUSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000369395573 155011607 /nfs/dbraw/zinc/01/16/07/155011607.db2.gz NUGYNNWAYHUBNM-PVAVHDDUSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCC[N@@H+](C)C1CC1 ZINC000369395573 155011609 /nfs/dbraw/zinc/01/16/09/155011609.db2.gz NUGYNNWAYHUBNM-PVAVHDDUSA-N 2 1 338.496 1.269 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)CN2CCc3sccc3C2)CC1 ZINC000371634015 156039816 /nfs/dbraw/zinc/03/98/16/156039816.db2.gz GKIGDTSZICHYCH-UHFFFAOYSA-N 2 1 337.489 1.287 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000574919643 306660118 /nfs/dbraw/zinc/66/01/18/306660118.db2.gz HRBABUGRWWTLAW-AOIWGVFYSA-N 2 1 344.503 1.701 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000372349335 156347332 /nfs/dbraw/zinc/34/73/32/156347332.db2.gz JDHXJUSOJCTRSS-IRXDYDNUSA-N 2 1 338.496 1.415 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000372349335 156347336 /nfs/dbraw/zinc/34/73/36/156347336.db2.gz JDHXJUSOJCTRSS-IRXDYDNUSA-N 2 1 338.496 1.415 20 0 EDADMP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000372438558 156390415 /nfs/dbraw/zinc/39/04/15/156390415.db2.gz QIVWNDVUZCQKFK-IPMKNSEASA-N 2 1 343.471 1.630 20 0 EDADMP CC(C)OCCCC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374623348 157348216 /nfs/dbraw/zinc/34/82/16/157348216.db2.gz NLGGOSZWBDLKHX-QGZVFWFLSA-N 2 1 325.497 1.819 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC000374778217 157397011 /nfs/dbraw/zinc/39/70/11/157397011.db2.gz MYTNDWJLHKIOTC-UHFFFAOYSA-N 2 1 348.466 1.502 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC000374778217 157397014 /nfs/dbraw/zinc/39/70/14/157397014.db2.gz MYTNDWJLHKIOTC-UHFFFAOYSA-N 2 1 348.466 1.502 20 0 EDADMP C[N@@H+](CCC(=O)N1CCOCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374776090 157397590 /nfs/dbraw/zinc/39/75/90/157397590.db2.gz FBSIDODUFBADSP-UHFFFAOYSA-N 2 1 346.475 1.479 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cnn(C)c2)CC[N@H+]1C ZINC000377935610 158033628 /nfs/dbraw/zinc/03/36/28/158033628.db2.gz BIFYTRYNRGMCRK-OVWQWFNUSA-N 2 1 347.507 1.650 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)CC[NH+]1C ZINC000377935610 158033630 /nfs/dbraw/zinc/03/36/30/158033630.db2.gz BIFYTRYNRGMCRK-OVWQWFNUSA-N 2 1 347.507 1.650 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)CC[NH+]1C ZINC000377935610 158033632 /nfs/dbraw/zinc/03/36/32/158033632.db2.gz BIFYTRYNRGMCRK-OVWQWFNUSA-N 2 1 347.507 1.650 20 0 EDADMP Cn1cc(NC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000377971363 158043500 /nfs/dbraw/zinc/04/35/00/158043500.db2.gz XKJFYYFRQXCYEF-UHFFFAOYSA-N 2 1 348.495 1.738 20 0 EDADMP COCC[C@]1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000378210687 158111474 /nfs/dbraw/zinc/11/14/74/158111474.db2.gz NOLFHUIGCKDIBX-LJQANCHMSA-N 2 1 331.460 1.347 20 0 EDADMP CC[N@@H+](CCNC(=O)C(C)(C)CN1CCn2ccnc2C1)C1CC1 ZINC000378510576 158194860 /nfs/dbraw/zinc/19/48/60/158194860.db2.gz GYUSCTDUTNZHEB-UHFFFAOYSA-N 2 1 333.480 1.325 20 0 EDADMP CC[N@@H+](CCNC(=O)C(C)(C)C[NH+]1CCn2ccnc2C1)C1CC1 ZINC000378510576 158194864 /nfs/dbraw/zinc/19/48/64/158194864.db2.gz GYUSCTDUTNZHEB-UHFFFAOYSA-N 2 1 333.480 1.325 20 0 EDADMP CC[NH+](CCNC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1)C1CC1 ZINC000378510576 158194866 /nfs/dbraw/zinc/19/48/66/158194866.db2.gz GYUSCTDUTNZHEB-UHFFFAOYSA-N 2 1 333.480 1.325 20 0 EDADMP CC[NH+](CCNC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1)C1CC1 ZINC000378510576 158194867 /nfs/dbraw/zinc/19/48/67/158194867.db2.gz GYUSCTDUTNZHEB-UHFFFAOYSA-N 2 1 333.480 1.325 20 0 EDADMP [NH3+]CCC[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)CC1CCCC1 ZINC000352508005 162218628 /nfs/dbraw/zinc/21/86/28/162218628.db2.gz GBJSVFJHLQRZEY-MSOLQXFVSA-N 2 1 337.508 1.997 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000352562370 162256269 /nfs/dbraw/zinc/25/62/69/162256269.db2.gz KAYAITACROSYLN-INIZCTEOSA-N 2 1 342.509 1.575 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000352562370 162256271 /nfs/dbraw/zinc/25/62/71/162256271.db2.gz KAYAITACROSYLN-INIZCTEOSA-N 2 1 342.509 1.575 20 0 EDADMP CCCCOC[C@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000365171900 162351605 /nfs/dbraw/zinc/35/16/05/162351605.db2.gz SMRSYZJTFJYDOV-ZWKOTPCHSA-N 2 1 327.513 1.264 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCSCC1 ZINC000073976173 287266766 /nfs/dbraw/zinc/26/67/66/287266766.db2.gz WXOJBXPMLIHDMN-MRXNPFEDSA-N 2 1 342.553 1.940 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000122946512 222188201 /nfs/dbraw/zinc/18/82/01/222188201.db2.gz YJIOQAQYPOGSIO-IXDOHACOSA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000122946512 222188205 /nfs/dbraw/zinc/18/82/05/222188205.db2.gz YJIOQAQYPOGSIO-IXDOHACOSA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000122946512 222188211 /nfs/dbraw/zinc/18/82/11/222188211.db2.gz YJIOQAQYPOGSIO-IXDOHACOSA-N 2 1 325.497 1.437 20 0 EDADMP Cc1nn(C)c2ncc(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc12 ZINC000171589139 227159683 /nfs/dbraw/zinc/15/96/83/227159683.db2.gz NKCBFYAUTWYBJO-CQSZACIVSA-N 2 1 345.491 1.801 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418401459 304491709 /nfs/dbraw/zinc/49/17/09/304491709.db2.gz GOXXSQMROWPKRD-PVAVHDDUSA-N 2 1 346.475 1.869 20 0 EDADMP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000190153318 272974426 /nfs/dbraw/zinc/97/44/26/272974426.db2.gz BCVOFHBVQCGPQM-HZPDHXFCSA-N 2 1 331.460 1.900 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000237052996 273007193 /nfs/dbraw/zinc/00/71/93/273007193.db2.gz HOMYMZKAAOJIHL-HOTGVXAUSA-N 2 1 325.497 1.772 20 0 EDADMP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CSC[NH2+]2)[C@@H]1c1cccs1 ZINC000237117292 273007872 /nfs/dbraw/zinc/00/78/72/273007872.db2.gz BUUPWSFGWKWKKM-OUCADQQQSA-N 2 1 325.503 1.910 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CSC[NH2+]2)[C@@H]1c1cccs1 ZINC000237117292 273007873 /nfs/dbraw/zinc/00/78/73/273007873.db2.gz BUUPWSFGWKWKKM-OUCADQQQSA-N 2 1 325.503 1.910 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CCO1 ZINC000274836827 268218867 /nfs/dbraw/zinc/21/88/67/268218867.db2.gz VUTNUGWWSPMCTQ-IRXDYDNUSA-N 2 1 335.423 1.366 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CCO1 ZINC000274836827 268218869 /nfs/dbraw/zinc/21/88/69/268218869.db2.gz VUTNUGWWSPMCTQ-IRXDYDNUSA-N 2 1 335.423 1.366 20 0 EDADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275363328 268330326 /nfs/dbraw/zinc/33/03/26/268330326.db2.gz VZGVYMVCUIPODL-CYBMUJFWSA-N 2 1 333.436 1.163 20 0 EDADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275363328 268330328 /nfs/dbraw/zinc/33/03/28/268330328.db2.gz VZGVYMVCUIPODL-CYBMUJFWSA-N 2 1 333.436 1.163 20 0 EDADMP C[C@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000276246988 273154726 /nfs/dbraw/zinc/15/47/26/273154726.db2.gz MVTCSDVECHHVSF-MRXNPFEDSA-N 2 1 332.492 1.043 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCCCO ZINC000276341220 273161227 /nfs/dbraw/zinc/16/12/27/273161227.db2.gz HCGDPHNXLDKKSS-SJLPKXTDSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCCCO ZINC000276341220 273161229 /nfs/dbraw/zinc/16/12/29/273161229.db2.gz HCGDPHNXLDKKSS-SJLPKXTDSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCCCO ZINC000276341220 273161230 /nfs/dbraw/zinc/16/12/30/273161230.db2.gz HCGDPHNXLDKKSS-SJLPKXTDSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nncn2-c2ccccc2)CC1 ZINC000277884615 273232445 /nfs/dbraw/zinc/23/24/45/273232445.db2.gz ZKOUCXYEOKEZBX-MRXNPFEDSA-N 2 1 343.475 1.792 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nncn2-c2ccccc2)CC1 ZINC000277884615 273232446 /nfs/dbraw/zinc/23/24/46/273232446.db2.gz ZKOUCXYEOKEZBX-MRXNPFEDSA-N 2 1 343.475 1.792 20 0 EDADMP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@H+]3C3CC3)cn2)CC1 ZINC000279838997 273332486 /nfs/dbraw/zinc/33/24/86/273332486.db2.gz ZRVQEOGGVNNMQX-QGZVFWFLSA-N 2 1 343.475 1.076 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000272590252 274355129 /nfs/dbraw/zinc/35/51/29/274355129.db2.gz RVJCWPVCWSQHNO-WBVHZDCISA-N 2 1 341.459 1.640 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000272590252 274355130 /nfs/dbraw/zinc/35/51/30/274355130.db2.gz RVJCWPVCWSQHNO-WBVHZDCISA-N 2 1 341.459 1.640 20 0 EDADMP CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]C1CC[NH+](C)CC1)CC2 ZINC000372280125 275656341 /nfs/dbraw/zinc/65/63/41/275656341.db2.gz DJMLMYBJPWRRPJ-AWEZNQCLSA-N 2 1 333.480 1.268 20 0 EDADMP CCC[C@H](C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000373167249 276037429 /nfs/dbraw/zinc/03/74/29/276037429.db2.gz PQRNXFTXNBQCIX-YYIAUSFCSA-N 2 1 325.497 1.817 20 0 EDADMP CCC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000373167249 276037431 /nfs/dbraw/zinc/03/74/31/276037431.db2.gz PQRNXFTXNBQCIX-YYIAUSFCSA-N 2 1 325.497 1.817 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000339944502 276107633 /nfs/dbraw/zinc/10/76/33/276107633.db2.gz BRPXJGQWZVWVSD-HNNXBMFYSA-N 2 1 327.517 1.042 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000458382308 276160617 /nfs/dbraw/zinc/16/06/17/276160617.db2.gz RAYSWDJFVIMDMQ-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458382308 276160618 /nfs/dbraw/zinc/16/06/18/276160618.db2.gz RAYSWDJFVIMDMQ-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458382308 276160619 /nfs/dbraw/zinc/16/06/19/276160619.db2.gz RAYSWDJFVIMDMQ-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000073173692 276206046 /nfs/dbraw/zinc/20/60/46/276206046.db2.gz IJBIFNWQKMMWEO-RBUKOAKNSA-N 2 1 345.487 1.969 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000073173692 276206048 /nfs/dbraw/zinc/20/60/48/276206048.db2.gz IJBIFNWQKMMWEO-RBUKOAKNSA-N 2 1 345.487 1.969 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351443687 276283803 /nfs/dbraw/zinc/28/38/03/276283803.db2.gz NGZCXYCSYNRNSA-ZOBUZTSGSA-N 2 1 325.497 1.458 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351443687 276283805 /nfs/dbraw/zinc/28/38/05/276283805.db2.gz NGZCXYCSYNRNSA-ZOBUZTSGSA-N 2 1 325.497 1.458 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351443687 276283806 /nfs/dbraw/zinc/28/38/06/276283806.db2.gz NGZCXYCSYNRNSA-ZOBUZTSGSA-N 2 1 325.497 1.458 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351443687 276283807 /nfs/dbraw/zinc/28/38/07/276283807.db2.gz NGZCXYCSYNRNSA-ZOBUZTSGSA-N 2 1 325.497 1.458 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)C1 ZINC000363220739 277074235 /nfs/dbraw/zinc/07/42/35/277074235.db2.gz HCHABPFTWROEHV-INIZCTEOSA-N 2 1 348.466 1.866 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)C1 ZINC000363220739 277074237 /nfs/dbraw/zinc/07/42/37/277074237.db2.gz HCHABPFTWROEHV-INIZCTEOSA-N 2 1 348.466 1.866 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)N2CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000417026811 277105001 /nfs/dbraw/zinc/10/50/01/277105001.db2.gz SPJPWGJHRGDNPG-MSOLQXFVSA-N 2 1 345.491 1.108 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)N2CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000417026811 277105002 /nfs/dbraw/zinc/10/50/02/277105002.db2.gz SPJPWGJHRGDNPG-MSOLQXFVSA-N 2 1 345.491 1.108 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)N2CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000417026811 277105003 /nfs/dbraw/zinc/10/50/03/277105003.db2.gz SPJPWGJHRGDNPG-MSOLQXFVSA-N 2 1 345.491 1.108 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCN(c3ncccn3)CC2)[C@H]2CCC[C@@H]21 ZINC000367604404 277170872 /nfs/dbraw/zinc/17/08/72/277170872.db2.gz BKJOBTKLLRGFCC-SQNIBIBYSA-N 2 1 344.507 1.061 20 0 EDADMP C[C@@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[NH+]1CCSCC1 ZINC000339459706 277545572 /nfs/dbraw/zinc/54/55/72/277545572.db2.gz AGDYRMLNVSRZMN-GOEBONIOSA-N 2 1 325.522 1.614 20 0 EDADMP CC[N@H+]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000286468205 288013071 /nfs/dbraw/zinc/01/30/71/288013071.db2.gz KSAXSVRFGSFMRD-AEFFLSMTSA-N 2 1 332.492 1.432 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)C[NH+]1CCCCCC1)C[NH+]1CCOCC1 ZINC000185484553 278203421 /nfs/dbraw/zinc/20/34/21/278203421.db2.gz ISCPQXNVRMOFQN-IAGOWNOFSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333486743 278226950 /nfs/dbraw/zinc/22/69/50/278226950.db2.gz CUKKYMBTGHBEQI-OTBWCIGPSA-N 2 1 337.512 1.114 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415421745 278246246 /nfs/dbraw/zinc/24/62/46/278246246.db2.gz VIRWBNWGSOBJKD-ZDUSSCGKSA-N 2 1 332.448 1.067 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@@H](C)O1 ZINC000333154803 288066757 /nfs/dbraw/zinc/06/67/57/288066757.db2.gz FOLDGUVFQPUWQM-APIJFGDWSA-N 2 1 326.485 1.314 20 0 EDADMP C[C@@]1(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CCC[NH2+]C1 ZINC000423348694 279162573 /nfs/dbraw/zinc/16/25/73/279162573.db2.gz UJUGKYJBTYQNDW-IAGOWNOFSA-N 2 1 337.489 1.691 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000360134294 279374926 /nfs/dbraw/zinc/37/49/26/279374926.db2.gz GCBQPPVUZKDUAF-INIZCTEOSA-N 2 1 335.496 1.884 20 0 EDADMP CC(C)[C@@H](C(=O)NCCC1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000102640023 279785390 /nfs/dbraw/zinc/78/53/90/279785390.db2.gz DUVPUTBHQXOQSK-NUJGCVRESA-N 2 1 339.524 1.968 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)C[N@@H+]1C1CC1 ZINC000177052499 280001775 /nfs/dbraw/zinc/00/17/75/280001775.db2.gz VGFJLUIFQMMYSF-HOCLYGCPSA-N 2 1 345.491 1.374 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)C[N@H+]1C1CC1 ZINC000177052499 280001776 /nfs/dbraw/zinc/00/17/76/280001776.db2.gz VGFJLUIFQMMYSF-HOCLYGCPSA-N 2 1 345.491 1.374 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000659980108 452888639 /nfs/dbraw/zinc/88/86/39/452888639.db2.gz QPQXZASMVGOLQU-KZNAEPCWSA-N 2 1 327.513 1.528 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000420809170 289046246 /nfs/dbraw/zinc/04/62/46/289046246.db2.gz YNTMBQRFNVWQGK-SFHVURJKSA-N 2 1 344.503 1.821 20 0 EDADMP COc1ccc(NC(=O)NC(=O)CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292043975 289246906 /nfs/dbraw/zinc/24/69/06/289246906.db2.gz AXHVYTIWELRVHE-GOSISDBHSA-N 2 1 346.431 1.371 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292050451 289249224 /nfs/dbraw/zinc/24/92/24/289249224.db2.gz BMAIWJLYYNUODI-AZUAARDMSA-N 3 1 344.503 1.433 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000183212064 289298115 /nfs/dbraw/zinc/29/81/15/289298115.db2.gz XYFBTPASLDVVAP-IAGOWNOFSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[NH+]1CCSCC1 ZINC000339459710 289301276 /nfs/dbraw/zinc/30/12/76/289301276.db2.gz AGDYRMLNVSRZMN-ZBFHGGJFSA-N 2 1 325.522 1.614 20 0 EDADMP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342142733 289334031 /nfs/dbraw/zinc/33/40/31/289334031.db2.gz WBBKOUWVUOLYSX-OCVGTWLNSA-N 2 1 336.480 1.593 20 0 EDADMP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000292614686 289395361 /nfs/dbraw/zinc/39/53/61/289395361.db2.gz XOVWCXHKTXNSQY-KSZLIROESA-N 2 1 345.512 1.987 20 0 EDADMP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000361720341 289424875 /nfs/dbraw/zinc/42/48/75/289424875.db2.gz YAHDEJLCZBVNHA-KBAYOESNSA-N 2 1 337.508 1.772 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000237231056 290055798 /nfs/dbraw/zinc/05/57/98/290055798.db2.gz NPAJRVOARNHTCE-SQNIBIBYSA-N 2 1 330.476 1.219 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCCO[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000420282207 304743207 /nfs/dbraw/zinc/74/32/07/304743207.db2.gz MRRJKCBXTYGFMX-ZOBUZTSGSA-N 2 1 349.479 1.646 20 0 EDADMP [NH3+]CC1(O)CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000420400740 304755667 /nfs/dbraw/zinc/75/56/67/304755667.db2.gz FMRDRKJYDONSBN-UHFFFAOYSA-N 2 1 326.444 1.647 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000458355543 447320795 /nfs/dbraw/zinc/32/07/95/447320795.db2.gz CWFUMDFUGNKKAH-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000372861261 447321722 /nfs/dbraw/zinc/32/17/22/447321722.db2.gz XEQXOFBFPANPAQ-SFHVURJKSA-N 2 1 348.466 1.106 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000419656151 447325689 /nfs/dbraw/zinc/32/56/89/447325689.db2.gz IIRXHWVDISAQER-BFYDXBDKSA-N 2 1 346.475 1.009 20 0 EDADMP C[C@@H](O)CNc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ncn1 ZINC000294256916 303083802 /nfs/dbraw/zinc/08/38/02/303083802.db2.gz FEAYOEFSLNSONR-ZBFHGGJFSA-N 2 1 327.432 1.956 20 0 EDADMP COc1nccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000295586065 303238088 /nfs/dbraw/zinc/23/80/88/303238088.db2.gz DWTRTKADZINJLH-AEFFLSMTSA-N 2 1 342.443 1.458 20 0 EDADMP COc1nccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000295586069 303238134 /nfs/dbraw/zinc/23/81/34/303238134.db2.gz DWTRTKADZINJLH-FUHWJXTLSA-N 2 1 342.443 1.458 20 0 EDADMP CSC[C@@H](O)C[N@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000296028970 303290095 /nfs/dbraw/zinc/29/00/95/303290095.db2.gz RXCRUETZULECAV-GJZGRUSLSA-N 2 1 337.489 1.859 20 0 EDADMP C[C@@H]1[C@H](O)CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000296412295 303314627 /nfs/dbraw/zinc/31/46/27/303314627.db2.gz VGBLFQKDGQHZHU-VQIMIIECSA-N 2 1 345.487 1.744 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](Cc2ccccc2)OC)CC1 ZINC000297294274 303382280 /nfs/dbraw/zinc/38/22/80/303382280.db2.gz YDWPKBJZCFOLNV-IBGZPJMESA-N 2 1 347.503 1.730 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000298727445 303549436 /nfs/dbraw/zinc/54/94/36/303549436.db2.gz MCTLPGIDYOSEHF-UHFFFAOYSA-N 2 1 341.459 1.520 20 0 EDADMP CCC(CC)[C@H](CNC(=O)COC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000423335865 304893064 /nfs/dbraw/zinc/89/30/64/304893064.db2.gz XMKDFYJEDREFRA-KRWDZBQOSA-N 2 1 341.496 1.008 20 0 EDADMP Cn1cc(C(=O)N2CC[NH+](C3CCC3)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000423433698 304896176 /nfs/dbraw/zinc/89/61/76/304896176.db2.gz RTJTWXRQEKQTGR-AWEZNQCLSA-N 2 1 331.464 1.197 20 0 EDADMP CC(C)(C)[C@H](C[NH3+])NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000423950759 304920518 /nfs/dbraw/zinc/92/05/18/304920518.db2.gz JAAKFOZDYAOEMZ-KRWDZBQOSA-N 2 1 332.492 1.294 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000423999050 304924025 /nfs/dbraw/zinc/92/40/25/304924025.db2.gz MXCGCBFGTBACKI-QRQLOZEOSA-N 2 1 344.503 1.418 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000429031497 305023292 /nfs/dbraw/zinc/02/32/92/305023292.db2.gz SNJBRHNEVCETDD-UHFFFAOYSA-N 2 1 342.447 1.840 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652887 305061404 /nfs/dbraw/zinc/06/14/04/305061404.db2.gz XXHDAEHXWBWVHF-SQNIBIBYSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652885 305061418 /nfs/dbraw/zinc/06/14/18/305061418.db2.gz XXHDAEHXWBWVHF-KURKYZTESA-N 2 1 337.508 1.726 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000430879396 305066699 /nfs/dbraw/zinc/06/66/99/305066699.db2.gz NYRONWAMNSJOLA-HIFRSBDPSA-N 2 1 332.448 1.178 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000430913387 305067668 /nfs/dbraw/zinc/06/76/68/305067668.db2.gz USITYESXUARKNP-BZSNNMDCSA-N 2 1 333.476 1.940 20 0 EDADMP Cc1cccc(C[NH+]2CCN(Cc3nc(C(C)(C)[NH3+])no3)CC2)c1 ZINC000431072592 305074296 /nfs/dbraw/zinc/07/42/96/305074296.db2.gz TWPWSKGQRGZSLT-UHFFFAOYSA-N 2 1 329.448 1.890 20 0 EDADMP COC(=O)[C@@H]1CCC[N@@H+](CC[C@H](C)[NH+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000431594248 305080265 /nfs/dbraw/zinc/08/02/65/305080265.db2.gz FFCSQWUTOHOBOD-XHSDSOJGSA-N 2 1 340.464 1.535 20 0 EDADMP COC(=O)[C@@H]1CCC[NH+](CC[C@H](C)[N@@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000431594248 305080266 /nfs/dbraw/zinc/08/02/66/305080266.db2.gz FFCSQWUTOHOBOD-XHSDSOJGSA-N 2 1 340.464 1.535 20 0 EDADMP COC(=O)[C@@H]1CCC[NH+](CC[C@H](C)[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000431594248 305080267 /nfs/dbraw/zinc/08/02/67/305080267.db2.gz FFCSQWUTOHOBOD-XHSDSOJGSA-N 2 1 340.464 1.535 20 0 EDADMP CC(C)[C@@H](C[NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000433128051 305101218 /nfs/dbraw/zinc/10/12/18/305101218.db2.gz KDCCJFNSMPXZIV-MAUKXSAKSA-N 2 1 333.476 1.754 20 0 EDADMP CC(C)[C@@H](C[NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000433128051 305101219 /nfs/dbraw/zinc/10/12/19/305101219.db2.gz KDCCJFNSMPXZIV-MAUKXSAKSA-N 2 1 333.476 1.754 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CCC[N@H+]1C ZINC000433411719 305108457 /nfs/dbraw/zinc/10/84/57/305108457.db2.gz QWECWKRQLOKIBT-PMPSAXMXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CCC[NH+]1C ZINC000433411719 305108458 /nfs/dbraw/zinc/10/84/58/305108458.db2.gz QWECWKRQLOKIBT-PMPSAXMXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CCC[NH+]1C ZINC000433411719 305108459 /nfs/dbraw/zinc/10/84/59/305108459.db2.gz QWECWKRQLOKIBT-PMPSAXMXSA-N 2 1 326.485 1.269 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)ccn1 ZINC000434446980 305122757 /nfs/dbraw/zinc/12/27/57/305122757.db2.gz SFNQHYQVHXKHEM-KRWDZBQOSA-N 2 1 346.475 1.769 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@H](O)C1 ZINC000434711683 305129203 /nfs/dbraw/zinc/12/92/03/305129203.db2.gz QRFCKHWYRPVJGE-SZMVWBNQSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@H](O)C1 ZINC000434711683 305129204 /nfs/dbraw/zinc/12/92/04/305129204.db2.gz QRFCKHWYRPVJGE-SZMVWBNQSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H](O)C1 ZINC000434711683 305129205 /nfs/dbraw/zinc/12/92/05/305129205.db2.gz QRFCKHWYRPVJGE-SZMVWBNQSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H](O)C1 ZINC000434711683 305129206 /nfs/dbraw/zinc/12/92/06/305129206.db2.gz QRFCKHWYRPVJGE-SZMVWBNQSA-N 2 1 331.460 1.222 20 0 EDADMP CCC[N@@H+](C)CC(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435576932 305142858 /nfs/dbraw/zinc/14/28/58/305142858.db2.gz XSDIHLYSQUBHQT-AWEZNQCLSA-N 2 1 336.505 1.956 20 0 EDADMP CC[N@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435631074 305144122 /nfs/dbraw/zinc/14/41/22/305144122.db2.gz ZTIZIFUESXILDM-HNNXBMFYSA-N 2 1 348.447 1.807 20 0 EDADMP CC[N@@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435631074 305144123 /nfs/dbraw/zinc/14/41/23/305144123.db2.gz ZTIZIFUESXILDM-HNNXBMFYSA-N 2 1 348.447 1.807 20 0 EDADMP CN(C)C(=O)c1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436058577 305151631 /nfs/dbraw/zinc/15/16/31/305151631.db2.gz ZBVABSKQIRLIQQ-KRWDZBQOSA-N 2 1 346.475 1.208 20 0 EDADMP CC(=O)Nc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436057490 305151717 /nfs/dbraw/zinc/15/17/17/305151717.db2.gz GNUJFCFMKGCAOR-KRWDZBQOSA-N 2 1 332.448 1.465 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000436453084 305157491 /nfs/dbraw/zinc/15/74/91/305157491.db2.gz NXXMLALPSAWMEO-OAHLLOKOSA-N 2 1 333.480 1.748 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000436453084 305157492 /nfs/dbraw/zinc/15/74/92/305157492.db2.gz NXXMLALPSAWMEO-OAHLLOKOSA-N 2 1 333.480 1.748 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000442760895 305229766 /nfs/dbraw/zinc/22/97/66/305229766.db2.gz AUKHAPKLFLAJHE-GJZGRUSLSA-N 2 1 344.459 1.811 20 0 EDADMP Cc1cccc(NCCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)[nH+]1 ZINC000446378918 305264212 /nfs/dbraw/zinc/26/42/12/305264212.db2.gz XRPHVEVEFRELCK-DDUZABMNSA-N 2 1 332.448 1.451 20 0 EDADMP CC[NH+]1C[C@H](C)N(C[C@@H](O)CN2C[C@H](C)[N@@H+](CC)C[C@H]2C)C[C@H]1C ZINC000447316137 305278205 /nfs/dbraw/zinc/27/82/05/305278205.db2.gz WECARWZHNXHBFB-YANVKFGNSA-N 2 1 340.556 1.176 20 0 EDADMP CC[NH+]1C[C@@H](C)N(C[C@H](O)CN2C[C@@H](C)[N@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316137 305278206 /nfs/dbraw/zinc/27/82/06/305278206.db2.gz WECARWZHNXHBFB-YANVKFGNSA-N 2 1 340.556 1.176 20 0 EDADMP CC[NH+]1C[C@@H](C)N(C[C@H](O)CN2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316137 305278207 /nfs/dbraw/zinc/27/82/07/305278207.db2.gz WECARWZHNXHBFB-YANVKFGNSA-N 2 1 340.556 1.176 20 0 EDADMP C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000447844501 305286966 /nfs/dbraw/zinc/28/69/66/305286966.db2.gz QKFIRFTXEVPNKT-LTFXXXRZSA-N 2 1 342.524 1.598 20 0 EDADMP C[C@H](O)C[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447844501 305286967 /nfs/dbraw/zinc/28/69/67/305286967.db2.gz QKFIRFTXEVPNKT-LTFXXXRZSA-N 2 1 342.524 1.598 20 0 EDADMP C[C@H](O)C[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447844501 305286968 /nfs/dbraw/zinc/28/69/68/305286968.db2.gz QKFIRFTXEVPNKT-LTFXXXRZSA-N 2 1 342.524 1.598 20 0 EDADMP CO[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)C[C@H]1C ZINC000451563637 305353770 /nfs/dbraw/zinc/35/37/70/305353770.db2.gz JWHCWZZLYRLRFY-BRWVUGGUSA-N 2 1 346.475 1.476 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C1 ZINC000414908635 447353904 /nfs/dbraw/zinc/35/39/04/447353904.db2.gz QKSPYVLKFRBBIX-AWEZNQCLSA-N 2 1 332.448 1.145 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000458416227 447355369 /nfs/dbraw/zinc/35/53/69/447355369.db2.gz DTEVOMQTYFUPEQ-DOTOQJQBSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1CCCO)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000458416227 447355374 /nfs/dbraw/zinc/35/53/74/447355374.db2.gz DTEVOMQTYFUPEQ-DOTOQJQBSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1CCCO)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000458416227 447355381 /nfs/dbraw/zinc/35/53/81/447355381.db2.gz DTEVOMQTYFUPEQ-DOTOQJQBSA-N 2 1 338.496 1.149 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000414925019 447358848 /nfs/dbraw/zinc/35/88/48/447358848.db2.gz JEVCQTQTTMFLMD-INIZCTEOSA-N 2 1 344.459 1.431 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000414925019 447358852 /nfs/dbraw/zinc/35/88/52/447358852.db2.gz JEVCQTQTTMFLMD-INIZCTEOSA-N 2 1 344.459 1.431 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414922030 447357745 /nfs/dbraw/zinc/35/77/45/447357745.db2.gz GCDWOZOGYGKKDM-CZUORRHYSA-N 2 1 332.448 1.588 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000422133155 447364474 /nfs/dbraw/zinc/36/44/74/447364474.db2.gz KWJPEFWBTNQDFI-HZPDHXFCSA-N 2 1 325.522 1.757 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530225252 305934710 /nfs/dbraw/zinc/93/47/10/305934710.db2.gz UXSJPNWFSZSEKC-GOSISDBHSA-N 2 1 336.480 1.952 20 0 EDADMP CC[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCOCC1 ZINC000531883460 305970189 /nfs/dbraw/zinc/97/01/89/305970189.db2.gz MCOUYARVJIWWPT-KRWDZBQOSA-N 2 1 333.480 1.523 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000535013495 306010554 /nfs/dbraw/zinc/01/05/54/306010554.db2.gz WXVXURWHYQLLFH-KZNAEPCWSA-N 2 1 325.497 1.140 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCC[N@@H+](C(C)(C)C)CC3)cn2)CC1 ZINC000535822328 306017648 /nfs/dbraw/zinc/01/76/48/306017648.db2.gz FXWSWQNMQYTRHO-UHFFFAOYSA-N 2 1 346.523 1.535 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCC[N@H+](C(C)(C)C)CC3)cn2)CC1 ZINC000535822328 306017649 /nfs/dbraw/zinc/01/76/49/306017649.db2.gz FXWSWQNMQYTRHO-UHFFFAOYSA-N 2 1 346.523 1.535 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000537581208 306027708 /nfs/dbraw/zinc/02/77/08/306027708.db2.gz MASWJXCGZDGQFK-UHFFFAOYSA-N 2 1 348.491 1.721 20 0 EDADMP C[NH+](C)CCOCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000538650238 306031310 /nfs/dbraw/zinc/03/13/10/306031310.db2.gz PKSZVMZVWGXPBA-GOSISDBHSA-N 2 1 333.476 1.593 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000548102791 306119938 /nfs/dbraw/zinc/11/99/38/306119938.db2.gz FXOVEBFKEHKNAN-CVEARBPZSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000548102791 306119939 /nfs/dbraw/zinc/11/99/39/306119939.db2.gz FXOVEBFKEHKNAN-CVEARBPZSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000548102791 306119940 /nfs/dbraw/zinc/11/99/40/306119940.db2.gz FXOVEBFKEHKNAN-CVEARBPZSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC1CC[NH2+]CC1 ZINC000557167938 306225245 /nfs/dbraw/zinc/22/52/45/306225245.db2.gz OBTWJIYASYDKCQ-MRXNPFEDSA-N 2 1 345.491 1.248 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)COC1CCC([NH3+])CC1 ZINC000557190497 306225989 /nfs/dbraw/zinc/22/59/89/306225989.db2.gz WNCGAELILKPQBZ-VMBOVVBDSA-N 2 1 347.459 1.455 20 0 EDADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000665249792 453623678 /nfs/dbraw/zinc/62/36/78/453623678.db2.gz ZIFIPTVIIMWFCH-CYBMUJFWSA-N 2 1 325.478 1.859 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000426041721 447383637 /nfs/dbraw/zinc/38/36/37/447383637.db2.gz HCLVUEFWKHZNTE-FMKPAKJESA-N 2 1 345.553 1.897 20 0 EDADMP CN1CC[NH2+]C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414980750 447382794 /nfs/dbraw/zinc/38/27/94/447382794.db2.gz WOVCTNWXIQMIHQ-NXEWRWPSSA-N 2 1 328.504 1.675 20 0 EDADMP CC(C)C[C@@H](CNC(=O)C1([NH+]2CCN(C)CC2)CCCC1)[NH+](C)C ZINC000377957558 447392247 /nfs/dbraw/zinc/39/22/47/447392247.db2.gz ONUIYUALGHAIHO-KRWDZBQOSA-N 2 1 338.540 1.639 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000378207566 447407732 /nfs/dbraw/zinc/40/77/32/447407732.db2.gz SOHUQZJGYXBACF-CEXWTWQISA-N 2 1 344.503 1.609 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000105082996 441231345 /nfs/dbraw/zinc/23/13/45/441231345.db2.gz SRWCXUFYQICNFW-QGZVFWFLSA-N 2 1 334.439 1.918 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]3C[NH3+])c2C1 ZINC000415436673 447438604 /nfs/dbraw/zinc/43/86/04/447438604.db2.gz BRIXUACMYZXIDP-CJNGLKHVSA-N 2 1 344.459 1.594 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]3C[NH3+])c2C1 ZINC000415436673 447438613 /nfs/dbraw/zinc/43/86/13/447438613.db2.gz BRIXUACMYZXIDP-CJNGLKHVSA-N 2 1 344.459 1.594 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)cn1 ZINC000105168618 441240182 /nfs/dbraw/zinc/24/01/82/441240182.db2.gz MTRZBLPVPMZSJB-ZDUSSCGKSA-N 2 1 342.447 1.858 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)cn1 ZINC000105168618 441240187 /nfs/dbraw/zinc/24/01/87/441240187.db2.gz MTRZBLPVPMZSJB-ZDUSSCGKSA-N 2 1 342.447 1.858 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000104880118 441218320 /nfs/dbraw/zinc/21/83/20/441218320.db2.gz WWSKVTHPNXSHDT-RDJZCZTQSA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000104880118 441218322 /nfs/dbraw/zinc/21/83/22/441218322.db2.gz WWSKVTHPNXSHDT-RDJZCZTQSA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000104880118 441218327 /nfs/dbraw/zinc/21/83/27/441218327.db2.gz WWSKVTHPNXSHDT-RDJZCZTQSA-N 2 1 344.459 1.417 20 0 EDADMP CC(C)[NH+](CCNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000047683916 441219434 /nfs/dbraw/zinc/21/94/34/441219434.db2.gz XLQQLURWPUZGCS-CALCHBBNSA-N 2 1 342.528 1.904 20 0 EDADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081484140 441276230 /nfs/dbraw/zinc/27/62/30/441276230.db2.gz JEIWKNIYSOBAQI-ROUUACIJSA-N 2 1 331.460 1.298 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081484140 441276233 /nfs/dbraw/zinc/27/62/33/441276233.db2.gz JEIWKNIYSOBAQI-ROUUACIJSA-N 2 1 331.460 1.298 20 0 EDADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081484140 441276237 /nfs/dbraw/zinc/27/62/37/441276237.db2.gz JEIWKNIYSOBAQI-ROUUACIJSA-N 2 1 331.460 1.298 20 0 EDADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081484140 441276239 /nfs/dbraw/zinc/27/62/39/441276239.db2.gz JEIWKNIYSOBAQI-ROUUACIJSA-N 2 1 331.460 1.298 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000062371905 441302355 /nfs/dbraw/zinc/30/23/55/441302355.db2.gz DINANZZJMOTINZ-IBGZPJMESA-N 2 1 345.487 1.860 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000063744205 441348783 /nfs/dbraw/zinc/34/87/83/441348783.db2.gz WRTFHXUGGZQHAB-LJQANCHMSA-N 2 1 347.503 1.983 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063744205 441348790 /nfs/dbraw/zinc/34/87/90/441348790.db2.gz WRTFHXUGGZQHAB-LJQANCHMSA-N 2 1 347.503 1.983 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063744205 441348796 /nfs/dbraw/zinc/34/87/96/441348796.db2.gz WRTFHXUGGZQHAB-LJQANCHMSA-N 2 1 347.503 1.983 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1CC[NH+](C)CC1 ZINC000073945642 441371864 /nfs/dbraw/zinc/37/18/64/441371864.db2.gz UIFHHAUMUHAQMV-QGZVFWFLSA-N 2 1 344.503 1.655 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](C2CCOCC2)CC1 ZINC000074498941 441440793 /nfs/dbraw/zinc/44/07/93/441440793.db2.gz KBTLWEMKZKIEQS-QGZVFWFLSA-N 2 1 338.496 1.367 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000074498941 441440797 /nfs/dbraw/zinc/44/07/97/441440797.db2.gz KBTLWEMKZKIEQS-QGZVFWFLSA-N 2 1 338.496 1.367 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000074498941 441440800 /nfs/dbraw/zinc/44/08/00/441440800.db2.gz KBTLWEMKZKIEQS-QGZVFWFLSA-N 2 1 338.496 1.367 20 0 EDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000075021862 441487609 /nfs/dbraw/zinc/48/76/09/441487609.db2.gz FNDRLKMTVQPLJE-BRWVUGGUSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@@H]1C[C@@H](C)C[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000075021862 441487613 /nfs/dbraw/zinc/48/76/13/441487613.db2.gz FNDRLKMTVQPLJE-BRWVUGGUSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@@H]1C[C@@H](C)C[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000075021862 441487616 /nfs/dbraw/zinc/48/76/16/441487616.db2.gz FNDRLKMTVQPLJE-BRWVUGGUSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+](C)CC1CC1 ZINC000053185117 441503409 /nfs/dbraw/zinc/50/34/09/441503409.db2.gz HWGGMLUKVXTUAL-MRXNPFEDSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+](C)CC1CC1 ZINC000053185117 441503412 /nfs/dbraw/zinc/50/34/12/441503412.db2.gz HWGGMLUKVXTUAL-MRXNPFEDSA-N 2 1 345.487 1.865 20 0 EDADMP CCN1CC[NH+](CCC(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000088348468 441504458 /nfs/dbraw/zinc/50/44/58/441504458.db2.gz DDMVVOLKHVDOCB-UHFFFAOYSA-N 2 1 336.480 1.197 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066919375 441587583 /nfs/dbraw/zinc/58/75/83/441587583.db2.gz ZVLDDPOEIAZKCF-TVFCKZIOSA-N 2 1 339.524 1.968 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCCc3cn4c(n3)CCCC4)CC[C@@H]21 ZINC000136966131 441734553 /nfs/dbraw/zinc/73/45/53/441734553.db2.gz YYFJWRFPANRSQO-RDJZCZTQSA-N 2 1 345.491 1.888 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000139463860 441816262 /nfs/dbraw/zinc/81/62/62/441816262.db2.gz MHQOINRPGUSIRN-GOSISDBHSA-N 2 1 330.476 1.651 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000139463860 441816273 /nfs/dbraw/zinc/81/62/73/441816273.db2.gz MHQOINRPGUSIRN-GOSISDBHSA-N 2 1 330.476 1.651 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000139528542 441820361 /nfs/dbraw/zinc/82/03/61/441820361.db2.gz PCCUBLHMFBFSPI-QGZVFWFLSA-N 2 1 331.464 1.439 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2)CC1 ZINC000173966195 441871390 /nfs/dbraw/zinc/87/13/90/441871390.db2.gz IFAYJPMJAMFWOL-UHFFFAOYSA-N 2 1 344.503 1.392 20 0 EDADMP C[C@@H](CN1CCN(C)CC1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000121979339 441823068 /nfs/dbraw/zinc/82/30/68/441823068.db2.gz VFLCOWSKCXTILD-GTPINHCMSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000121979339 441823073 /nfs/dbraw/zinc/82/30/73/441823073.db2.gz VFLCOWSKCXTILD-GTPINHCMSA-N 2 1 339.528 1.042 20 0 EDADMP CC(=O)Nc1ccc(NC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000139815518 441827629 /nfs/dbraw/zinc/82/76/29/441827629.db2.gz LEAAMGGDEFZTHZ-QAPCUYQASA-N 2 1 344.459 2.000 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000150732690 441938934 /nfs/dbraw/zinc/93/89/34/441938934.db2.gz FBQAKBLDWFEYLN-MJGOQNOKSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000150732690 441938939 /nfs/dbraw/zinc/93/89/39/441938939.db2.gz FBQAKBLDWFEYLN-MJGOQNOKSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000174601438 441942372 /nfs/dbraw/zinc/94/23/72/441942372.db2.gz NZFWVPNVXVREIR-MSOLQXFVSA-N 2 1 333.476 1.386 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000174601438 441942377 /nfs/dbraw/zinc/94/23/77/441942377.db2.gz NZFWVPNVXVREIR-MSOLQXFVSA-N 2 1 333.476 1.386 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000174770081 441966555 /nfs/dbraw/zinc/96/65/55/441966555.db2.gz WJUJENKRVXDFGS-SFHVURJKSA-N 2 1 345.487 1.660 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000174770081 441966559 /nfs/dbraw/zinc/96/65/59/441966559.db2.gz WJUJENKRVXDFGS-SFHVURJKSA-N 2 1 345.487 1.660 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000174770081 441966564 /nfs/dbraw/zinc/96/65/64/441966564.db2.gz WJUJENKRVXDFGS-SFHVURJKSA-N 2 1 345.487 1.660 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000174770081 441966568 /nfs/dbraw/zinc/96/65/68/441966568.db2.gz WJUJENKRVXDFGS-SFHVURJKSA-N 2 1 345.487 1.660 20 0 EDADMP CC[N@@H+](CC(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)C1CC1 ZINC000151796087 442121378 /nfs/dbraw/zinc/12/13/78/442121378.db2.gz LUMOLSGPZASKJF-UHFFFAOYSA-N 2 1 332.448 2.000 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000162852318 442126851 /nfs/dbraw/zinc/12/68/51/442126851.db2.gz FQJFCTBXUHEQMU-PKOBYXMFSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000175845962 442133543 /nfs/dbraw/zinc/13/35/43/442133543.db2.gz MLMWAFCAFBWAKP-RDJZCZTQSA-N 2 1 331.464 1.850 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000175845962 442133546 /nfs/dbraw/zinc/13/35/46/442133546.db2.gz MLMWAFCAFBWAKP-RDJZCZTQSA-N 2 1 331.464 1.850 20 0 EDADMP CCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)CC1 ZINC000176065100 442169658 /nfs/dbraw/zinc/16/96/58/442169658.db2.gz BLQDVPCUSUCLTR-UHFFFAOYSA-N 2 1 346.475 1.549 20 0 EDADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCN(C)CC2)C12CCCCC2 ZINC000121138261 442181718 /nfs/dbraw/zinc/18/17/18/442181718.db2.gz DPGLYICQZAVNPP-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000163225669 442151881 /nfs/dbraw/zinc/15/18/81/442151881.db2.gz IGHDCHBKAZRAKE-UHFFFAOYSA-N 2 1 332.448 1.241 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000152890885 442250266 /nfs/dbraw/zinc/25/02/66/442250266.db2.gz LXPSRBPKWMLOGC-QGZVFWFLSA-N 2 1 339.528 1.045 20 0 EDADMP CC[N@@H+]1CCC[C@H](CNC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000152890885 442250267 /nfs/dbraw/zinc/25/02/67/442250267.db2.gz LXPSRBPKWMLOGC-QGZVFWFLSA-N 2 1 339.528 1.045 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000152890885 442250269 /nfs/dbraw/zinc/25/02/69/442250269.db2.gz LXPSRBPKWMLOGC-QGZVFWFLSA-N 2 1 339.528 1.045 20 0 EDADMP C[N@@H+](CCC(=O)Nc1sccc1C(N)=O)C[C@@H]1CCC[NH+](C)C1 ZINC000152420552 442211012 /nfs/dbraw/zinc/21/10/12/442211012.db2.gz HCXKZOSCQXYSGH-GFCCVEGCSA-N 2 1 338.477 1.449 20 0 EDADMP C[NH+](CCC(=O)Nc1sccc1C(N)=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000152420552 442211016 /nfs/dbraw/zinc/21/10/16/442211016.db2.gz HCXKZOSCQXYSGH-GFCCVEGCSA-N 2 1 338.477 1.449 20 0 EDADMP C[NH+](CCC(=O)Nc1sccc1C(N)=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152420552 442211017 /nfs/dbraw/zinc/21/10/17/442211017.db2.gz HCXKZOSCQXYSGH-GFCCVEGCSA-N 2 1 338.477 1.449 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1)C(C)C ZINC000152665478 442235682 /nfs/dbraw/zinc/23/56/82/442235682.db2.gz OAKRJYYZLOSLQZ-LJQANCHMSA-N 2 1 335.492 1.959 20 0 EDADMP c1nc(N2CC[NH+](C3CC3)CC2)cc(N2CC[NH+](C3CC3)CC2)n1 ZINC000128113985 442246263 /nfs/dbraw/zinc/24/62/63/442246263.db2.gz UXNOXYHKDQFEPU-UHFFFAOYSA-N 2 1 328.464 1.045 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000177129368 442301775 /nfs/dbraw/zinc/30/17/75/442301775.db2.gz BAULTQYWWWXMNB-LJQANCHMSA-N 2 1 346.519 1.822 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000171189349 442325154 /nfs/dbraw/zinc/32/51/54/442325154.db2.gz JWFBKTNZDMQMBU-GOSISDBHSA-N 2 1 348.491 1.701 20 0 EDADMP CN1CCC([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000177318218 442328184 /nfs/dbraw/zinc/32/81/84/442328184.db2.gz DFMVCIGYQBRMRY-GOSISDBHSA-N 2 1 344.503 1.568 20 0 EDADMP C[NH+]1CCC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000177318218 442328186 /nfs/dbraw/zinc/32/81/86/442328186.db2.gz DFMVCIGYQBRMRY-GOSISDBHSA-N 3 1 344.503 1.568 20 0 EDADMP C[NH+]1CCC([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000177318218 442328189 /nfs/dbraw/zinc/32/81/89/442328189.db2.gz DFMVCIGYQBRMRY-GOSISDBHSA-N 3 1 344.503 1.568 20 0 EDADMP C[NH+]1CCC(NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000177318218 442328191 /nfs/dbraw/zinc/32/81/91/442328191.db2.gz DFMVCIGYQBRMRY-GOSISDBHSA-N 2 1 344.503 1.568 20 0 EDADMP C[NH+]1CCC(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000177318218 442328193 /nfs/dbraw/zinc/32/81/93/442328193.db2.gz DFMVCIGYQBRMRY-GOSISDBHSA-N 2 1 344.503 1.568 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCN1CCOCC1(C)C ZINC000171105051 442312895 /nfs/dbraw/zinc/31/28/95/442312895.db2.gz MTLPLPBUXASPKT-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP C[N@@H+](CCNC(=O)NCCN1CCOCC1(C)C)C1CCCC1 ZINC000171686829 442370353 /nfs/dbraw/zinc/37/03/53/442370353.db2.gz YPQTWEQBNHHZSL-UHFFFAOYSA-N 2 1 326.485 1.271 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000171808256 442382341 /nfs/dbraw/zinc/38/23/41/442382341.db2.gz ZXWWXIRGMOTEDM-UHFFFAOYSA-N 2 1 334.464 1.934 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@H]2CSCC[NH2+]2)cn1 ZINC000133457103 442419426 /nfs/dbraw/zinc/41/94/26/442419426.db2.gz XQGDWLYAHPGPNI-AWEZNQCLSA-N 2 1 331.445 1.287 20 0 EDADMP CC[C@@H](NC(=O)C[NH2+]CC1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000178869622 442508955 /nfs/dbraw/zinc/50/89/55/442508955.db2.gz RTBGEZKYMDHZAF-RTBURBONSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@@H](NC(=O)C[NH2+]CC1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000178869622 442508958 /nfs/dbraw/zinc/50/89/58/442508958.db2.gz RTBGEZKYMDHZAF-RTBURBONSA-N 2 1 345.487 1.782 20 0 EDADMP CC(C)[NH+](CCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C(C)C ZINC000186988591 442641297 /nfs/dbraw/zinc/64/12/97/442641297.db2.gz JOVHAJLAPGFBAC-INIZCTEOSA-N 2 1 342.528 1.592 20 0 EDADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC(=O)N3CC[NH+](C)CC3)c(C)n2n1 ZINC000179423657 442645384 /nfs/dbraw/zinc/64/53/84/442645384.db2.gz HVTGDXQYYKIUBU-CQSZACIVSA-N 2 1 344.463 1.161 20 0 EDADMP C[N@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)C[C@H]2C1 ZINC000192473534 442650618 /nfs/dbraw/zinc/65/06/18/442650618.db2.gz ZGTOEBNKAKPSSF-ZIFCJYIRSA-N 2 1 343.471 1.204 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)C[C@H]2C1 ZINC000192473534 442650621 /nfs/dbraw/zinc/65/06/21/442650621.db2.gz ZGTOEBNKAKPSSF-ZIFCJYIRSA-N 2 1 343.471 1.204 20 0 EDADMP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3Cc3ccc(F)cc3)C[C@H]2C1 ZINC000192471121 442650727 /nfs/dbraw/zinc/65/07/27/442650727.db2.gz WOCPLJXKINPTIM-SOLBZPMBSA-N 2 1 331.435 1.810 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3Cc3ccc(F)cc3)C[C@H]2C1 ZINC000192471121 442650729 /nfs/dbraw/zinc/65/07/29/442650729.db2.gz WOCPLJXKINPTIM-SOLBZPMBSA-N 2 1 331.435 1.810 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)C[C@H]2C1 ZINC000192471121 442650732 /nfs/dbraw/zinc/65/07/32/442650732.db2.gz WOCPLJXKINPTIM-SOLBZPMBSA-N 2 1 331.435 1.810 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)C[C@H]2C1 ZINC000192471121 442650735 /nfs/dbraw/zinc/65/07/35/442650735.db2.gz WOCPLJXKINPTIM-SOLBZPMBSA-N 2 1 331.435 1.810 20 0 EDADMP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@@H]1O ZINC000186789803 442612133 /nfs/dbraw/zinc/61/21/33/442612133.db2.gz SXSBGXFAIDQHQB-LPHOPBHVSA-N 2 1 345.487 1.601 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000192522753 442657093 /nfs/dbraw/zinc/65/70/93/442657093.db2.gz OYXVPDBNLUGHCV-LJQANCHMSA-N 2 1 332.492 1.250 20 0 EDADMP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000188181941 442721351 /nfs/dbraw/zinc/72/13/51/442721351.db2.gz DCDNYXVGKULXPY-UHFFFAOYSA-N 2 1 339.443 1.404 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000182301369 442755592 /nfs/dbraw/zinc/75/55/92/442755592.db2.gz JSQAEJMWUFWWHP-HNNXBMFYSA-N 2 1 339.480 1.203 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000182301369 442755594 /nfs/dbraw/zinc/75/55/94/442755594.db2.gz JSQAEJMWUFWWHP-HNNXBMFYSA-N 2 1 339.480 1.203 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000265522435 442807795 /nfs/dbraw/zinc/80/77/95/442807795.db2.gz SZFWJEPKMXVCKO-FUHWJXTLSA-N 2 1 349.475 1.658 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000265522435 442807798 /nfs/dbraw/zinc/80/77/98/442807798.db2.gz SZFWJEPKMXVCKO-FUHWJXTLSA-N 2 1 349.475 1.658 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000193870839 442802241 /nfs/dbraw/zinc/80/22/41/442802241.db2.gz QLWZOHZKDKXYPH-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000193870839 442802247 /nfs/dbraw/zinc/80/22/47/442802247.db2.gz QLWZOHZKDKXYPH-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CCOC)CC2)[C@@H](C)C1 ZINC000246395859 442779081 /nfs/dbraw/zinc/77/90/81/442779081.db2.gz JPEBXSWDIRIZDJ-DOTOQJQBSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000247047187 442831017 /nfs/dbraw/zinc/83/10/17/442831017.db2.gz SGTFYXCUZVGQNF-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000247370879 442850166 /nfs/dbraw/zinc/85/01/66/442850166.db2.gz FBAPDAGMZIAFLE-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000247370879 442850170 /nfs/dbraw/zinc/85/01/70/442850170.db2.gz FBAPDAGMZIAFLE-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000247370879 442850175 /nfs/dbraw/zinc/85/01/75/442850175.db2.gz FBAPDAGMZIAFLE-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000247812261 442868580 /nfs/dbraw/zinc/86/85/80/442868580.db2.gz VFMXBQOTYHHNIO-ZACQAIPSSA-N 2 1 339.528 1.042 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000265666472 442870265 /nfs/dbraw/zinc/87/02/65/442870265.db2.gz AFFGIWSHVNUOCE-GOSISDBHSA-N 2 1 330.476 1.361 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1CCC[N@H+]1C ZINC000265666472 442870267 /nfs/dbraw/zinc/87/02/67/442870267.db2.gz AFFGIWSHVNUOCE-GOSISDBHSA-N 2 1 330.476 1.361 20 0 EDADMP C[C@@H]1COC[C@H](C)N1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265889943 442958704 /nfs/dbraw/zinc/95/87/04/442958704.db2.gz RARGVONAQAOYDV-CALCHBBNSA-N 2 1 331.460 1.440 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CCc3ccc(O)cc3)cn2)CC1 ZINC000268513991 443017058 /nfs/dbraw/zinc/01/70/58/443017058.db2.gz DFDFEHBBFRMQGG-UHFFFAOYSA-N 2 1 327.432 1.266 20 0 EDADMP C[C@H]1C[C@@H](NCCNS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000268805313 443113902 /nfs/dbraw/zinc/11/39/02/443113902.db2.gz MALSHVIZGJPTPU-HOCLYGCPSA-N 2 1 325.478 1.178 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000268805313 443113910 /nfs/dbraw/zinc/11/39/10/443113910.db2.gz MALSHVIZGJPTPU-HOCLYGCPSA-N 2 1 325.478 1.178 20 0 EDADMP FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261850129 443171360 /nfs/dbraw/zinc/17/13/60/443171360.db2.gz BERRBXXGUTXAAR-RRFJBIMHSA-N 2 1 335.414 1.760 20 0 EDADMP Cc1cccn2c(C[N@@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cnc12 ZINC000262025282 443180433 /nfs/dbraw/zinc/18/04/33/443180433.db2.gz NMFYBHWEZXOHPH-OAHLLOKOSA-N 2 1 329.448 1.462 20 0 EDADMP Cc1cccn2c(C[N@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cnc12 ZINC000262025282 443180440 /nfs/dbraw/zinc/18/04/40/443180440.db2.gz NMFYBHWEZXOHPH-OAHLLOKOSA-N 2 1 329.448 1.462 20 0 EDADMP O=C(CC[N@H+](CCO)[C@H]1CCCc2ccccc21)N1CC[NH2+]CC1 ZINC000262142817 443183987 /nfs/dbraw/zinc/18/39/87/443183987.db2.gz OTNGXWCOUMGDPQ-SFHVURJKSA-N 2 1 331.460 1.180 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000269124280 443205585 /nfs/dbraw/zinc/20/55/85/443205585.db2.gz UYCGRMDTOWTJLS-ZWKOTPCHSA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000269124280 443205588 /nfs/dbraw/zinc/20/55/88/443205588.db2.gz UYCGRMDTOWTJLS-ZWKOTPCHSA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000269124280 443205591 /nfs/dbraw/zinc/20/55/91/443205591.db2.gz UYCGRMDTOWTJLS-ZWKOTPCHSA-N 2 1 333.476 1.326 20 0 EDADMP C[NH+](C)C1CCN(C(=O)Cc2noc([C@H]3CCC[N@@H+]3C3CC3)n2)CC1 ZINC000350274455 319046691 /nfs/dbraw/zinc/04/66/91/319046691.db2.gz PJZPNYKUJATZTP-OAHLLOKOSA-N 2 1 347.463 1.464 20 0 EDADMP C[NH+](C)C1CCN(C(=O)Cc2noc([C@H]3CCC[N@H+]3C3CC3)n2)CC1 ZINC000350274455 319046693 /nfs/dbraw/zinc/04/66/93/319046693.db2.gz PJZPNYKUJATZTP-OAHLLOKOSA-N 2 1 347.463 1.464 20 0 EDADMP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cn1ccnn1 ZINC000414194010 319318974 /nfs/dbraw/zinc/31/89/74/319318974.db2.gz UHIIBYUHJBVXFL-AKHDSKFASA-N 2 1 341.459 1.424 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414193388 319319205 /nfs/dbraw/zinc/31/92/05/319319205.db2.gz MRSQNYSIIIAROP-SQNIBIBYSA-N 3 1 338.540 1.101 20 0 EDADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414193388 319319207 /nfs/dbraw/zinc/31/92/07/319319207.db2.gz MRSQNYSIIIAROP-SQNIBIBYSA-N 2 1 338.540 1.101 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414659738 319337968 /nfs/dbraw/zinc/33/79/68/319337968.db2.gz LQAOBQPVHBUQRC-CQSZACIVSA-N 2 1 332.448 1.465 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H](c2ccccc2)O1 ZINC000414689607 319342740 /nfs/dbraw/zinc/34/27/40/319342740.db2.gz LDPUTMFFQTZYER-NUJGCVRESA-N 2 1 331.460 1.646 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415957134 319384655 /nfs/dbraw/zinc/38/46/55/319384655.db2.gz JIKJHULZEVUEJL-CQSZACIVSA-N 2 1 328.420 1.614 20 0 EDADMP C[C@]1(C(N)=O)CCCC[NH+]1CCCC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185917478 443283188 /nfs/dbraw/zinc/28/31/88/443283188.db2.gz FBSNQAUHMMLDBQ-HDICACEKSA-N 2 1 338.496 1.226 20 0 EDADMP C[C@]1(C(N)=O)CCCC[N@H+]1CCCC[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000185917478 443283192 /nfs/dbraw/zinc/28/31/92/443283192.db2.gz FBSNQAUHMMLDBQ-HDICACEKSA-N 2 1 338.496 1.226 20 0 EDADMP C[C@]1(C(N)=O)CCCC[N@@H+]1CCCC[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000185917478 443283194 /nfs/dbraw/zinc/28/31/94/443283194.db2.gz FBSNQAUHMMLDBQ-HDICACEKSA-N 2 1 338.496 1.226 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cc(C)nn1C ZINC000191480748 443300517 /nfs/dbraw/zinc/30/05/17/443300517.db2.gz OJICPYPKHHMDRQ-UHFFFAOYSA-N 2 1 332.452 1.838 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cc(C)nn1C ZINC000191480748 443300518 /nfs/dbraw/zinc/30/05/18/443300518.db2.gz OJICPYPKHHMDRQ-UHFFFAOYSA-N 2 1 332.452 1.838 20 0 EDADMP COc1ccccc1C[N@@H+](CCO)CCCN1CC[NH+](C(C)C)CC1 ZINC000191478111 443300529 /nfs/dbraw/zinc/30/05/29/443300529.db2.gz AANDMMNUZNRZQO-UHFFFAOYSA-N 2 1 349.519 1.906 20 0 EDADMP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000416914550 319473322 /nfs/dbraw/zinc/47/33/22/319473322.db2.gz GAXGWIHGOCBOJC-KBXIAJHMSA-N 2 1 326.485 1.266 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000416934129 319478002 /nfs/dbraw/zinc/47/80/02/319478002.db2.gz DCESIPCCZHEGQZ-IAGOWNOFSA-N 2 1 340.512 1.550 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC1([NH3+])CCCCC1)[NH+]1CCOCC1 ZINC000416940662 319480247 /nfs/dbraw/zinc/48/02/47/319480247.db2.gz PGJWBFBUMNYEMM-HNNXBMFYSA-N 2 1 326.485 1.304 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](C)CCN2C)cc1)C(C)C ZINC000264700834 443381500 /nfs/dbraw/zinc/38/15/00/443381500.db2.gz DBGPDNDXBNAWIA-IBGZPJMESA-N 2 1 346.519 1.893 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1)C(C)C ZINC000264700834 443381502 /nfs/dbraw/zinc/38/15/02/443381502.db2.gz DBGPDNDXBNAWIA-IBGZPJMESA-N 2 1 346.519 1.893 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1)C(C)C ZINC000264700834 443381507 /nfs/dbraw/zinc/38/15/07/443381507.db2.gz DBGPDNDXBNAWIA-IBGZPJMESA-N 2 1 346.519 1.893 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000269671388 443388463 /nfs/dbraw/zinc/38/84/63/443388463.db2.gz OXYIJFZSRASOCV-KCXAZCMYSA-N 2 1 332.448 1.448 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000269671388 443388469 /nfs/dbraw/zinc/38/84/69/443388469.db2.gz OXYIJFZSRASOCV-KCXAZCMYSA-N 2 1 332.448 1.448 20 0 EDADMP C[NH+](C)C/C=C/C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000264648329 443361382 /nfs/dbraw/zinc/36/13/82/443361382.db2.gz RWNNNOJUHMVEEC-ONEGZZNKSA-N 2 1 334.439 1.182 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000264763495 443413270 /nfs/dbraw/zinc/41/32/70/443413270.db2.gz QPPLIUDUKWQAPZ-QZTJIDSGSA-N 2 1 328.460 1.751 20 0 EDADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000264763495 443413273 /nfs/dbraw/zinc/41/32/73/443413273.db2.gz QPPLIUDUKWQAPZ-QZTJIDSGSA-N 2 1 328.460 1.751 20 0 EDADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000264763495 443413276 /nfs/dbraw/zinc/41/32/76/443413276.db2.gz QPPLIUDUKWQAPZ-QZTJIDSGSA-N 2 1 328.460 1.751 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)NCC[NH+]1CCSCC1 ZINC000264807113 443433165 /nfs/dbraw/zinc/43/31/65/443433165.db2.gz OIMXTBZPXLPRSN-UHFFFAOYSA-N 2 1 337.489 1.406 20 0 EDADMP Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)[NH+](C)C)cc1 ZINC000264732136 443396477 /nfs/dbraw/zinc/39/64/77/443396477.db2.gz NFXBZMWMTQFINI-MSOLQXFVSA-N 2 1 347.507 1.143 20 0 EDADMP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272654434 443398261 /nfs/dbraw/zinc/39/82/61/443398261.db2.gz LFZVPPHEOYLORG-IEBWSBKVSA-N 3 1 331.504 1.943 20 0 EDADMP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272654434 443398266 /nfs/dbraw/zinc/39/82/66/443398266.db2.gz LFZVPPHEOYLORG-IEBWSBKVSA-N 2 1 331.504 1.943 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[NH+](C)CCN2C)c1 ZINC000264760353 443411154 /nfs/dbraw/zinc/41/11/54/443411154.db2.gz LPQYIHFQVHVCBR-GOSISDBHSA-N 2 1 347.507 1.183 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000264760353 443411155 /nfs/dbraw/zinc/41/11/55/443411155.db2.gz LPQYIHFQVHVCBR-GOSISDBHSA-N 2 1 347.507 1.183 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000264760353 443411159 /nfs/dbraw/zinc/41/11/59/443411159.db2.gz LPQYIHFQVHVCBR-GOSISDBHSA-N 2 1 347.507 1.183 20 0 EDADMP CC1(C(=O)NCC(F)(F)C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423537370 319782836 /nfs/dbraw/zinc/78/28/36/319782836.db2.gz CPZZMDLYHVSUQD-UHFFFAOYSA-N 2 1 325.403 1.999 20 0 EDADMP C[C@@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)N1CC[NH+](C)CC1 ZINC000423619370 319794294 /nfs/dbraw/zinc/79/42/94/319794294.db2.gz VGJYKUAKAWOLRZ-HNAYVOBHSA-N 2 1 340.471 1.592 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272282525 443579559 /nfs/dbraw/zinc/57/95/59/443579559.db2.gz BVOQZKGQORUEEP-QZTJIDSGSA-N 2 1 330.476 1.984 20 0 EDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2O)CC1 ZINC000436827385 320024543 /nfs/dbraw/zinc/02/45/43/320024543.db2.gz JPZHRAZHRVNLSJ-YOEHRIQHSA-N 2 1 331.460 1.927 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2O)CC1 ZINC000436827385 320024545 /nfs/dbraw/zinc/02/45/45/320024545.db2.gz JPZHRAZHRVNLSJ-YOEHRIQHSA-N 2 1 331.460 1.927 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000438080118 320032747 /nfs/dbraw/zinc/03/27/47/320032747.db2.gz NOEIZBBXDCMQCN-CVEARBPZSA-N 2 1 334.464 1.779 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000438080118 320032748 /nfs/dbraw/zinc/03/27/48/320032748.db2.gz NOEIZBBXDCMQCN-CVEARBPZSA-N 2 1 334.464 1.779 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000441165431 320091368 /nfs/dbraw/zinc/09/13/68/320091368.db2.gz LVTYEINSQAXOQF-MRXNPFEDSA-N 2 1 333.476 1.817 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000441165431 320091370 /nfs/dbraw/zinc/09/13/70/320091370.db2.gz LVTYEINSQAXOQF-MRXNPFEDSA-N 2 1 333.476 1.817 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000443691294 320109144 /nfs/dbraw/zinc/10/91/44/320109144.db2.gz RIJMODUJDAHMLO-YCPHGPKFSA-N 2 1 328.526 1.405 20 0 EDADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC000449058678 320176908 /nfs/dbraw/zinc/17/69/08/320176908.db2.gz LGDQLQWUIOYZJA-OAHLLOKOSA-N 2 1 339.505 1.221 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000489397557 320359777 /nfs/dbraw/zinc/35/97/77/320359777.db2.gz NBSHAVOMEYXDCX-IXDOHACOSA-N 2 1 340.512 1.326 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000489397557 320359778 /nfs/dbraw/zinc/35/97/78/320359778.db2.gz NBSHAVOMEYXDCX-IXDOHACOSA-N 2 1 340.512 1.326 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000489397557 320359779 /nfs/dbraw/zinc/35/97/79/320359779.db2.gz NBSHAVOMEYXDCX-IXDOHACOSA-N 2 1 340.512 1.326 20 0 EDADMP CC[C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[N@H+]1C[C@@H](C)O ZINC000276459718 443713430 /nfs/dbraw/zinc/71/34/30/443713430.db2.gz AFVZENNHRLTWDD-DNVCBOLYSA-N 2 1 345.487 1.292 20 0 EDADMP CN(C)c1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccn1 ZINC000518906404 320461342 /nfs/dbraw/zinc/46/13/42/320461342.db2.gz DEQAZHMNLJSODB-UHFFFAOYSA-N 2 1 340.431 1.547 20 0 EDADMP COc1ccc(CN2CCC[N@H+](CCc3cncn3C)CC2=O)cc1 ZINC000298394173 443760684 /nfs/dbraw/zinc/76/06/84/443760684.db2.gz LMVUGJMFPWJXAO-UHFFFAOYSA-N 2 1 342.443 1.706 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000288111932 443774418 /nfs/dbraw/zinc/77/44/18/443774418.db2.gz VPBFKADTSFWHDG-JQHSSLGASA-N 2 1 348.491 1.119 20 0 EDADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cnc2cnccn12 ZINC000288516553 443905043 /nfs/dbraw/zinc/90/50/43/443905043.db2.gz JEQQSRFUAGXSSG-UHFFFAOYSA-N 2 1 340.431 1.745 20 0 EDADMP C[N@@H+](CCn1ccnc1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285391244 443967327 /nfs/dbraw/zinc/96/73/27/443967327.db2.gz HKEXMRRCOJZJOK-UHFFFAOYSA-N 3 1 327.476 1.633 20 0 EDADMP C[N@H+](CCn1ccnc1)CCN1CCN(Cc2ccccc2)CC1 ZINC000285391244 443967332 /nfs/dbraw/zinc/96/73/32/443967332.db2.gz HKEXMRRCOJZJOK-UHFFFAOYSA-N 3 1 327.476 1.633 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000562993586 321086542 /nfs/dbraw/zinc/08/65/42/321086542.db2.gz KBMGZTWNMOMPNM-KRWDZBQOSA-N 2 1 325.497 1.460 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000563103329 321095896 /nfs/dbraw/zinc/09/58/96/321095896.db2.gz GBEUUYVRVPZDOG-HZPDHXFCSA-N 2 1 333.480 1.266 20 0 EDADMP CN1CC[NH+](CC2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000563379101 321106920 /nfs/dbraw/zinc/10/69/20/321106920.db2.gz VHLDXMUXNVWLKK-UHFFFAOYSA-N 2 1 336.524 1.204 20 0 EDADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000564973873 321162266 /nfs/dbraw/zinc/16/22/66/321162266.db2.gz AEIDDAOQIUPZBR-LSDHHAIUSA-N 2 1 332.366 1.656 20 0 EDADMP C[C@@]1(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]C1 ZINC000565039812 321165367 /nfs/dbraw/zinc/16/53/67/321165367.db2.gz BEAUZHGOFOKHTP-LJQANCHMSA-N 2 1 330.476 1.315 20 0 EDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000565167722 321171852 /nfs/dbraw/zinc/17/18/52/321171852.db2.gz ZSLYEDQEDNFESF-HDMKZQKVSA-N 2 1 326.481 1.743 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000565167722 321171853 /nfs/dbraw/zinc/17/18/53/321171853.db2.gz ZSLYEDQEDNFESF-HDMKZQKVSA-N 2 1 326.481 1.743 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000565167722 321171854 /nfs/dbraw/zinc/17/18/54/321171854.db2.gz ZSLYEDQEDNFESF-HDMKZQKVSA-N 2 1 326.481 1.743 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000565167722 321171855 /nfs/dbraw/zinc/17/18/55/321171855.db2.gz ZSLYEDQEDNFESF-HDMKZQKVSA-N 2 1 326.481 1.743 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)CC[NH2+]C2CC2)[C@@H](c2ccccc2)C1 ZINC000565435133 321186524 /nfs/dbraw/zinc/18/65/24/321186524.db2.gz YKUCWPGJLZWTRW-LJQANCHMSA-N 2 1 344.503 1.624 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)CC[NH2+]C2CC2)[C@@H](c2ccccc2)C1 ZINC000565435133 321186525 /nfs/dbraw/zinc/18/65/25/321186525.db2.gz YKUCWPGJLZWTRW-LJQANCHMSA-N 2 1 344.503 1.624 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)CC[NH2+]C2CC2)[C@@H](c2ccccc2)C1 ZINC000565435133 321186527 /nfs/dbraw/zinc/18/65/27/321186527.db2.gz YKUCWPGJLZWTRW-LJQANCHMSA-N 2 1 344.503 1.624 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)COC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000566173135 321220765 /nfs/dbraw/zinc/22/07/65/321220765.db2.gz LLHNTIRWQDPICI-FXQLRMTLSA-N 2 1 341.496 1.277 20 0 EDADMP C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000567585811 321247219 /nfs/dbraw/zinc/24/72/19/321247219.db2.gz WKZKBZXYJAFBGL-NWANDNLSSA-N 2 1 341.402 1.375 20 0 EDADMP C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000567585811 321247221 /nfs/dbraw/zinc/24/72/21/321247221.db2.gz WKZKBZXYJAFBGL-NWANDNLSSA-N 2 1 341.402 1.375 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000567690684 321252813 /nfs/dbraw/zinc/25/28/13/321252813.db2.gz HDRXOVDKFUQTDB-IBGZPJMESA-N 2 1 337.483 1.736 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC[N@H+]1C ZINC000569320840 321323879 /nfs/dbraw/zinc/32/38/79/321323879.db2.gz HDWLBTTYQBFEOT-INIZCTEOSA-N 2 1 332.448 1.973 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000570572093 321348959 /nfs/dbraw/zinc/34/89/59/321348959.db2.gz XUSBXIRLKVSJMI-ZXYDBVAFSA-N 2 1 343.471 1.965 20 0 EDADMP CN(CCC[N@@H+](C)CC(=O)N1CCc2ccccc2C1)CC[NH+](C)C ZINC000289422983 444139386 /nfs/dbraw/zinc/13/93/86/444139386.db2.gz MXGHKVFVOGMOOI-UHFFFAOYSA-N 2 1 346.519 1.387 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC000285917845 444152245 /nfs/dbraw/zinc/15/22/45/444152245.db2.gz CGJSMDYKBIEORJ-UHFFFAOYSA-N 2 1 345.487 1.878 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC000285939982 444159102 /nfs/dbraw/zinc/15/91/02/444159102.db2.gz VNCHSXKBDONZIP-MOPGFXCFSA-N 2 1 343.471 1.828 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)Cc1c(Cl)ncnc1N(C)C ZINC000289525358 444165072 /nfs/dbraw/zinc/16/50/72/444165072.db2.gz VWBMUCZLTTZFAH-UHFFFAOYSA-N 2 1 342.919 1.511 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000289928018 444220504 /nfs/dbraw/zinc/22/05/04/444220504.db2.gz OFZOSSFNVZXZGS-BMFZPTHFSA-N 2 1 333.432 1.046 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000576758334 321593833 /nfs/dbraw/zinc/59/38/33/321593833.db2.gz NBWMZICYAZQQEL-HUUCEWRRSA-N 3 1 331.464 1.680 20 0 EDADMP C[C@H](O)[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000305672236 444271945 /nfs/dbraw/zinc/27/19/45/444271945.db2.gz XSWNEXXMQJOBCA-WNRNVDISSA-N 2 1 328.497 1.189 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000290100675 444242625 /nfs/dbraw/zinc/24/26/25/444242625.db2.gz WVNUBNPVEKKUBO-HOCLYGCPSA-N 2 1 328.460 1.960 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000290100675 444242626 /nfs/dbraw/zinc/24/26/26/444242626.db2.gz WVNUBNPVEKKUBO-HOCLYGCPSA-N 2 1 328.460 1.960 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000290100675 444242627 /nfs/dbraw/zinc/24/26/27/444242627.db2.gz WVNUBNPVEKKUBO-HOCLYGCPSA-N 2 1 328.460 1.960 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000290100675 444242629 /nfs/dbraw/zinc/24/26/29/444242629.db2.gz WVNUBNPVEKKUBO-HOCLYGCPSA-N 2 1 328.460 1.960 20 0 EDADMP Cc1ccccc1OC[C@H](O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000304147656 444242973 /nfs/dbraw/zinc/24/29/73/444242973.db2.gz JGLVERZYVCYCSR-RBUKOAKNSA-N 2 1 347.503 1.447 20 0 EDADMP Cc1ccccc1OC[C@H](O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000304147656 444242974 /nfs/dbraw/zinc/24/29/74/444242974.db2.gz JGLVERZYVCYCSR-RBUKOAKNSA-N 2 1 347.503 1.447 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1O ZINC000305755912 444278077 /nfs/dbraw/zinc/27/80/77/444278077.db2.gz BINXAGLLSNSYGB-QFBILLFUSA-N 2 1 345.487 1.601 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2)C[C@H](C)C1 ZINC000323510109 444343622 /nfs/dbraw/zinc/34/36/22/444343622.db2.gz YIFCIZNUQYNJKQ-ICSRJNTNSA-N 2 1 349.519 1.379 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000323510109 444343623 /nfs/dbraw/zinc/34/36/23/444343623.db2.gz YIFCIZNUQYNJKQ-ICSRJNTNSA-N 2 1 349.519 1.379 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000323510109 444343624 /nfs/dbraw/zinc/34/36/24/444343624.db2.gz YIFCIZNUQYNJKQ-ICSRJNTNSA-N 2 1 349.519 1.379 20 0 EDADMP CC(C)C[C@H](CNC(=O)NCCC[NH2+]C(C)C)[NH+]1CCOCC1 ZINC000578226582 321742253 /nfs/dbraw/zinc/74/22/53/321742253.db2.gz DTPAHMGBSTYEBE-MRXNPFEDSA-N 2 1 328.501 1.421 20 0 EDADMP Cc1ccc(OCCC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1C ZINC000324767461 444357549 /nfs/dbraw/zinc/35/75/49/444357549.db2.gz CIBXYCHIWISBQE-KRWDZBQOSA-N 2 1 333.476 1.859 20 0 EDADMP CC(C)C[C@H](CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000325224441 444363363 /nfs/dbraw/zinc/36/33/63/444363363.db2.gz RQXJWVUVRSAVKR-FGTMMUONSA-N 2 1 339.524 1.875 20 0 EDADMP CC[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000337812841 444419761 /nfs/dbraw/zinc/41/97/61/444419761.db2.gz MJPHEMOISLMTMY-RTBURBONSA-N 2 1 345.487 1.693 20 0 EDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC[N@@H+]1C ZINC000329003095 444441350 /nfs/dbraw/zinc/44/13/50/444441350.db2.gz HJQQOHBONXLORR-XWESNNAXSA-N 2 1 345.491 1.687 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](O)C34CCCC4)cn2)CC1 ZINC000329184883 444494866 /nfs/dbraw/zinc/49/48/66/444494866.db2.gz PHLMXVCUHLEURF-INIZCTEOSA-N 2 1 331.464 1.108 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](O)C34CCCC4)cn2)CC1 ZINC000329184883 444494869 /nfs/dbraw/zinc/49/48/69/444494869.db2.gz PHLMXVCUHLEURF-INIZCTEOSA-N 2 1 331.464 1.108 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580881913 322107232 /nfs/dbraw/zinc/10/72/32/322107232.db2.gz GBYNYQLPNRVSTG-NJAFHUGGSA-N 2 1 330.476 1.806 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)[C@@H]2CCC[C@H]21 ZINC000580908334 322111363 /nfs/dbraw/zinc/11/13/63/322111363.db2.gz IOONCURCKOEPJN-YESZJQIVSA-N 2 1 334.485 1.979 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000581001234 322122659 /nfs/dbraw/zinc/12/26/59/322122659.db2.gz HNPUOOKLQPDZEV-KBAYOESNSA-N 2 1 345.491 1.106 20 0 EDADMP C[C@@H](O)[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000581998127 322242649 /nfs/dbraw/zinc/24/26/49/322242649.db2.gz WHHQXWSBAMWLCK-LSDHHAIUSA-N 2 1 335.448 1.206 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)c2)C1 ZINC000582013522 322245640 /nfs/dbraw/zinc/24/56/40/322245640.db2.gz OIULNMHNOJXEKO-CEXWTWQISA-N 3 1 344.503 1.743 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(OC3CCCCC3)CC2)CC1 ZINC000338235080 444578750 /nfs/dbraw/zinc/57/87/50/444578750.db2.gz HIHRUWVSTDPAJB-UHFFFAOYSA-N 2 1 337.508 1.964 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)CC[N@H+]1CCOC ZINC000342352518 444648509 /nfs/dbraw/zinc/64/85/09/444648509.db2.gz XNAFIIFNBZJIMF-INMHGKMJSA-N 2 1 338.496 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC[NH+]1CCOC ZINC000342352518 444648515 /nfs/dbraw/zinc/64/85/15/444648515.db2.gz XNAFIIFNBZJIMF-INMHGKMJSA-N 2 1 338.496 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC[NH+]1CCOC ZINC000342352518 444648518 /nfs/dbraw/zinc/64/85/18/444648518.db2.gz XNAFIIFNBZJIMF-INMHGKMJSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000329639969 444660554 /nfs/dbraw/zinc/66/05/54/444660554.db2.gz WVAPHUIFGCZXFS-WMLDXEAASA-N 2 1 337.489 1.656 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cnnn2C)C[C@H](C)O1 ZINC000343928032 444674768 /nfs/dbraw/zinc/67/47/68/444674768.db2.gz CGUCOESBYIAQBF-GASCZTMLSA-N 2 1 329.448 1.714 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000342408959 444679473 /nfs/dbraw/zinc/67/94/73/444679473.db2.gz CRJMFBXFAOJGJZ-INIZCTEOSA-N 2 1 334.512 1.438 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000342408959 444679475 /nfs/dbraw/zinc/67/94/75/444679475.db2.gz CRJMFBXFAOJGJZ-INIZCTEOSA-N 2 1 334.512 1.438 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341207600 444729649 /nfs/dbraw/zinc/72/96/49/444729649.db2.gz UFGVUAUBBOXRBI-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000334001492 444742464 /nfs/dbraw/zinc/74/24/64/444742464.db2.gz RWEBVZPJSUDIQS-QKPAOTATSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000334001492 444742469 /nfs/dbraw/zinc/74/24/69/444742469.db2.gz RWEBVZPJSUDIQS-QKPAOTATSA-N 2 1 340.512 1.656 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000344070287 444765028 /nfs/dbraw/zinc/76/50/28/444765028.db2.gz UZQIWOZOYPAFOY-MOPGFXCFSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000344070287 444765031 /nfs/dbraw/zinc/76/50/31/444765031.db2.gz UZQIWOZOYPAFOY-MOPGFXCFSA-N 2 1 345.487 1.734 20 0 EDADMP CCn1ccnc1[C@H]1CCCCN1C(=O)NCC[N@H+]1CCCOCC1 ZINC000334077708 444772368 /nfs/dbraw/zinc/77/23/68/444772368.db2.gz KJCCIMODIWTZJJ-MRXNPFEDSA-N 2 1 349.479 1.862 20 0 EDADMP CCn1ccnc1[C@H]1CCCCN1C(=O)NCCN1CCCOCC1 ZINC000334077708 444772370 /nfs/dbraw/zinc/77/23/70/444772370.db2.gz KJCCIMODIWTZJJ-MRXNPFEDSA-N 2 1 349.479 1.862 20 0 EDADMP C[C@@H](CNC(=O)N1CCC([N@@H+](C)CCO)CC1)[NH+]1CCC[C@H](C)C1 ZINC000334084167 444775320 /nfs/dbraw/zinc/77/53/20/444775320.db2.gz YJDYBNDFXRAQDA-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](CNC(=O)N1CCC([NH+](C)CCO)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000334084167 444775326 /nfs/dbraw/zinc/77/53/26/444775326.db2.gz YJDYBNDFXRAQDA-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](CNC(=O)N1CCC([NH+](C)CCO)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000334084167 444775330 /nfs/dbraw/zinc/77/53/30/444775330.db2.gz YJDYBNDFXRAQDA-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000344123425 444793380 /nfs/dbraw/zinc/79/33/80/444793380.db2.gz VRUNBYPIUGTDDB-HNNXBMFYSA-N 2 1 340.493 1.375 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000344123425 444793385 /nfs/dbraw/zinc/79/33/85/444793385.db2.gz VRUNBYPIUGTDDB-HNNXBMFYSA-N 2 1 340.493 1.375 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)CC[N@H+]1C ZINC000341367908 444798266 /nfs/dbraw/zinc/79/82/66/444798266.db2.gz GGNYPFFDNDGQHU-GDBMZVCRSA-N 2 1 349.479 1.304 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CCN1CCO[C@@H](C)C1 ZINC000344141799 444803536 /nfs/dbraw/zinc/80/35/36/444803536.db2.gz ANIVFKGTPGSWEH-SFHVURJKSA-N 2 1 326.529 1.057 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)C[C@H]1CC ZINC000342664716 444803964 /nfs/dbraw/zinc/80/39/64/444803964.db2.gz QHYAVBJWGSWCQJ-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000344182297 444826443 /nfs/dbraw/zinc/82/64/43/444826443.db2.gz GWFXEHRKBVIFOE-KLHDSHLOSA-N 2 1 325.497 1.721 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000344182297 444826448 /nfs/dbraw/zinc/82/64/48/444826448.db2.gz GWFXEHRKBVIFOE-KLHDSHLOSA-N 2 1 325.497 1.721 20 0 EDADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000342714129 444830144 /nfs/dbraw/zinc/83/01/44/444830144.db2.gz CAXNECYQISIDKT-CQSZACIVSA-N 2 1 327.375 1.810 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)C(=O)N(C)C(C)C ZINC000344189516 444830326 /nfs/dbraw/zinc/83/03/26/444830326.db2.gz WZUGRDOSXURVPE-KRWDZBQOSA-N 2 1 326.529 1.591 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000342716193 444830881 /nfs/dbraw/zinc/83/08/81/444830881.db2.gz VABJDAFPUUGIKR-YJBOKZPZSA-N 2 1 331.460 1.523 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000342764510 444855124 /nfs/dbraw/zinc/85/51/24/444855124.db2.gz IONNNQBQHAIRRL-KGLIPLIRSA-N 2 1 327.469 1.284 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC000344302120 444888886 /nfs/dbraw/zinc/88/88/86/444888886.db2.gz UNFCWPBNPMABQB-ZBFHGGJFSA-N 2 1 347.463 1.405 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000342862278 444899688 /nfs/dbraw/zinc/89/96/88/444899688.db2.gz RFBYBHGKKJCPJN-MLGOLLRUSA-N 2 1 331.464 1.376 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000342862278 444899692 /nfs/dbraw/zinc/89/96/92/444899692.db2.gz RFBYBHGKKJCPJN-MLGOLLRUSA-N 2 1 331.464 1.376 20 0 EDADMP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000338939271 444945204 /nfs/dbraw/zinc/94/52/04/444945204.db2.gz JMTPZUFXUGFODD-ZACQAIPSSA-N 2 1 339.524 1.968 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000341759595 444987908 /nfs/dbraw/zinc/98/79/08/444987908.db2.gz HWMPFAUTWKBISP-QAPCUYQASA-N 2 1 348.466 1.262 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000341759595 444987914 /nfs/dbraw/zinc/98/79/14/444987914.db2.gz HWMPFAUTWKBISP-QAPCUYQASA-N 2 1 348.466 1.262 20 0 EDADMP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000341769677 444993279 /nfs/dbraw/zinc/99/32/79/444993279.db2.gz MRRQEEOYRRJFSU-APWZRJJASA-N 2 1 344.503 1.960 20 0 EDADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000337273109 445011119 /nfs/dbraw/zinc/01/11/19/445011119.db2.gz OWUBNDSXIRWHCS-UHFFFAOYSA-N 2 1 332.448 1.532 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)CCN1C1CC[NH+](C)CC1 ZINC000339061304 445014278 /nfs/dbraw/zinc/01/42/78/445014278.db2.gz HMUKWPXXGNMFPT-OXQOHEQNSA-N 2 1 349.494 1.829 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000339313738 445131826 /nfs/dbraw/zinc/13/18/26/445131826.db2.gz FBACFZLDKOYPOK-HOTGVXAUSA-N 2 1 328.501 1.232 20 0 EDADMP C[C@@H](CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[N@@H+](C)C1CC1 ZINC000341986429 445108816 /nfs/dbraw/zinc/10/88/16/445108816.db2.gz UUMALLXBKZKUJK-ZFWWWQNUSA-N 2 1 340.512 1.068 20 0 EDADMP CCCc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n[nH]1 ZINC000619180047 450422369 /nfs/dbraw/zinc/42/23/69/450422369.db2.gz BLVSOIFHHZGTDJ-UHFFFAOYSA-N 2 1 328.420 1.761 20 0 EDADMP CCC[C@H]1CN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC[N@@H+]1CCOC ZINC000347497491 445239759 /nfs/dbraw/zinc/23/97/59/445239759.db2.gz YVYDQEAMOGSSHD-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP CCC[C@H]1CN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC[N@H+]1CCOC ZINC000347497491 445239762 /nfs/dbraw/zinc/23/97/62/445239762.db2.gz YVYDQEAMOGSSHD-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP CCC[C@H]1CN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC[NH+]1CCOC ZINC000347497491 445239764 /nfs/dbraw/zinc/23/97/64/445239764.db2.gz YVYDQEAMOGSSHD-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP CCC[C@H]1CN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC[NH+]1CCOC ZINC000347497491 445239766 /nfs/dbraw/zinc/23/97/66/445239766.db2.gz YVYDQEAMOGSSHD-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)C[C@H]1C ZINC000351635809 445251667 /nfs/dbraw/zinc/25/16/67/445251667.db2.gz QDSYQOPIZDCQPU-NXOAAHMSSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC000351635809 445251670 /nfs/dbraw/zinc/25/16/70/445251670.db2.gz QDSYQOPIZDCQPU-NXOAAHMSSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC000351635809 445251674 /nfs/dbraw/zinc/25/16/74/445251674.db2.gz QDSYQOPIZDCQPU-NXOAAHMSSA-N 2 1 340.512 1.346 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000348208475 445316703 /nfs/dbraw/zinc/31/67/03/445316703.db2.gz FKNDGAJBQMGGAQ-OAHLLOKOSA-N 2 1 326.510 1.163 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000348376547 445270205 /nfs/dbraw/zinc/27/02/05/445270205.db2.gz LVDDXCOEEWJMQR-MRXNPFEDSA-N 2 1 327.517 1.044 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@H](OC)C[C@@H]1C[NH+]1CCCC1 ZINC000348126517 445282661 /nfs/dbraw/zinc/28/26/61/445282661.db2.gz JQTIZFSRUPGIAC-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)C(C)C ZINC000351734609 445298961 /nfs/dbraw/zinc/29/89/61/445298961.db2.gz NEDNQXGZRHDTMQ-MRXNPFEDSA-N 2 1 327.517 1.042 20 0 EDADMP CC[N@H+](CCNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1)C(C)C ZINC000351734609 445298964 /nfs/dbraw/zinc/29/89/64/445298964.db2.gz NEDNQXGZRHDTMQ-MRXNPFEDSA-N 2 1 327.517 1.042 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1)C(C)C ZINC000351734609 445298967 /nfs/dbraw/zinc/29/89/67/445298967.db2.gz NEDNQXGZRHDTMQ-MRXNPFEDSA-N 2 1 327.517 1.042 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000351858433 445345184 /nfs/dbraw/zinc/34/51/84/445345184.db2.gz ZBMDHAZQJJTBQQ-ILXRZTDVSA-N 2 1 349.475 1.859 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000351858433 445345186 /nfs/dbraw/zinc/34/51/86/445345186.db2.gz ZBMDHAZQJJTBQQ-ILXRZTDVSA-N 2 1 349.475 1.859 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351867488 445348048 /nfs/dbraw/zinc/34/80/48/445348048.db2.gz YOPBVYIYGALLQG-ZBFHGGJFSA-N 2 1 349.475 1.721 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351867488 445348051 /nfs/dbraw/zinc/34/80/51/445348051.db2.gz YOPBVYIYGALLQG-ZBFHGGJFSA-N 2 1 349.475 1.721 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000362420907 445373652 /nfs/dbraw/zinc/37/36/52/445373652.db2.gz PNPIJBLJFXXJCF-CQSZACIVSA-N 2 1 336.484 1.263 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000362420907 445373656 /nfs/dbraw/zinc/37/36/56/445373656.db2.gz PNPIJBLJFXXJCF-CQSZACIVSA-N 2 1 336.484 1.263 20 0 EDADMP [NH3+]CCOCC[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000357070226 445406363 /nfs/dbraw/zinc/40/63/63/445406363.db2.gz AIQZDGZEKQTVHJ-UHFFFAOYSA-N 2 1 325.840 1.002 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359789391 445429909 /nfs/dbraw/zinc/42/99/09/445429909.db2.gz HEMMUGMYYHCHOK-KSWRQPAISA-N 2 1 325.497 1.529 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359789391 445429912 /nfs/dbraw/zinc/42/99/12/445429912.db2.gz HEMMUGMYYHCHOK-KSWRQPAISA-N 2 1 325.497 1.529 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC)cn2)C1 ZINC000352013485 445438328 /nfs/dbraw/zinc/43/83/28/445438328.db2.gz JDMQRIRRKWHCGR-KRWDZBQOSA-N 2 1 335.448 1.801 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C[C@@H](C)O1 ZINC000362562198 445440474 /nfs/dbraw/zinc/44/04/74/445440474.db2.gz RTQQYKGLZOUIMH-MGPQQGTHSA-N 2 1 349.479 1.104 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C2CCOCC2)CC1 ZINC000348950429 445452306 /nfs/dbraw/zinc/45/23/06/445452306.db2.gz QCTHIPFAMUIWBB-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CCCC2)CC1 ZINC000362760427 445536417 /nfs/dbraw/zinc/53/64/17/445536417.db2.gz QXBNFLYNBFICAH-RDJZCZTQSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@@H](F)C[NH2+]3)CC2)oc1C ZINC000362725729 445519878 /nfs/dbraw/zinc/51/98/78/445519878.db2.gz SYXIZNMXCQTQFQ-CABCVRRESA-N 2 1 338.427 1.320 20 0 EDADMP CCCn1nc(C)c(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)c1C ZINC000362677271 445494399 /nfs/dbraw/zinc/49/43/99/445494399.db2.gz XPGDTAMURMPXFE-INIZCTEOSA-N 2 1 333.480 1.306 20 0 EDADMP COc1cc(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)ccc1OCC[NH+](C)C ZINC000362682812 445498401 /nfs/dbraw/zinc/49/84/01/445498401.db2.gz GUJACRVOSMLICB-HOCLYGCPSA-N 2 1 349.475 1.450 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C[C@H]3COCC[NH2+]3)c2)C[C@H](C)O1 ZINC000357237686 445499800 /nfs/dbraw/zinc/49/98/00/445499800.db2.gz HEXCKMJFQSSDEO-DAYGRLMNSA-N 2 1 347.459 1.613 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C[C@H]3COCC[NH2+]3)c2)C[C@H](C)O1 ZINC000357237686 445499803 /nfs/dbraw/zinc/49/98/03/445499803.db2.gz HEXCKMJFQSSDEO-DAYGRLMNSA-N 2 1 347.459 1.613 20 0 EDADMP CC[NH+]1CCN(CC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000359954724 445502894 /nfs/dbraw/zinc/50/28/94/445502894.db2.gz PTWDNJKPTQGWIR-UHFFFAOYSA-N 2 1 346.519 1.781 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000360124598 445580364 /nfs/dbraw/zinc/58/03/64/445580364.db2.gz LUMUXYHDPXSRCB-HOTGVXAUSA-N 2 1 328.501 1.107 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)CC[N@H+]1C ZINC000360044431 445542602 /nfs/dbraw/zinc/54/26/02/445542602.db2.gz FLINGOLFBOAPHE-LSDHHAIUSA-N 2 1 336.480 1.704 20 0 EDADMP C[NH+](C)C[C@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc(F)cc1 ZINC000360211922 445631340 /nfs/dbraw/zinc/63/13/40/445631340.db2.gz HCXJYCQCIOYSHU-HOTGVXAUSA-N 2 1 339.480 1.982 20 0 EDADMP CC(C)[N@@H+](CCO)CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000356227606 445686283 /nfs/dbraw/zinc/68/62/83/445686283.db2.gz WFUKTJWETNLWJP-KRWDZBQOSA-N 2 1 333.476 1.595 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000356229476 445687186 /nfs/dbraw/zinc/68/71/86/445687186.db2.gz RGKUMMKEWXDTPP-HNNXBMFYSA-N 2 1 333.480 1.725 20 0 EDADMP C[C@H]1C[C@H](C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000358694324 445721454 /nfs/dbraw/zinc/72/14/54/445721454.db2.gz QCKFNMJXRWGNRD-DLBZAZTESA-N 2 1 345.491 1.098 20 0 EDADMP CSC1(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC[NH+](C)CC1 ZINC000360695231 445722907 /nfs/dbraw/zinc/72/29/07/445722907.db2.gz OFJVDZGTFUGCKX-LSDHHAIUSA-N 2 1 340.537 1.549 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC000363247787 445738790 /nfs/dbraw/zinc/73/87/90/445738790.db2.gz VDYKWBJAFUTYCF-IAGOWNOFSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000363247787 445738796 /nfs/dbraw/zinc/73/87/96/445738796.db2.gz VDYKWBJAFUTYCF-IAGOWNOFSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC000363247787 445738800 /nfs/dbraw/zinc/73/88/00/445738800.db2.gz VDYKWBJAFUTYCF-IAGOWNOFSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000361111023 445749770 /nfs/dbraw/zinc/74/97/70/445749770.db2.gz IPIMQIFIYLMDEH-ROUUACIJSA-N 2 1 346.523 1.309 20 0 EDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000361227281 445754748 /nfs/dbraw/zinc/75/47/48/445754748.db2.gz FPTNADMNIBZDJW-GJZGRUSLSA-N 2 1 327.266 1.819 20 0 EDADMP CC(C)N1CCC[C@H]([N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1=O ZINC000363477994 445820490 /nfs/dbraw/zinc/82/04/90/445820490.db2.gz FDPFFUCEDPMKKY-MSOLQXFVSA-N 2 1 336.524 1.486 20 0 EDADMP CC1(C)CC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC(C)(C)[NH2+]1 ZINC000363390713 445785396 /nfs/dbraw/zinc/78/53/96/445785396.db2.gz VNOMFKFEBSVVEK-LSDHHAIUSA-N 2 1 338.496 1.458 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000350225010 445796188 /nfs/dbraw/zinc/79/61/88/445796188.db2.gz UKULAYADQVQSRG-DLBZAZTESA-N 2 1 325.497 1.678 20 0 EDADMP COc1ccccc1CNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000363434012 445801191 /nfs/dbraw/zinc/80/11/91/445801191.db2.gz RGEYODMSWBNSDH-JKSUJKDBSA-N 2 1 332.448 1.562 20 0 EDADMP COc1ccccc1CNC(=[NH2+])NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000363434012 445801195 /nfs/dbraw/zinc/80/11/95/445801195.db2.gz RGEYODMSWBNSDH-JKSUJKDBSA-N 2 1 332.448 1.562 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000350284599 445806096 /nfs/dbraw/zinc/80/60/96/445806096.db2.gz DYCKVMBYNRRECL-GJZGRUSLSA-N 2 1 342.484 1.042 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000358848948 445808200 /nfs/dbraw/zinc/80/82/00/445808200.db2.gz AZVWJLJOHNYABP-IRXDYDNUSA-N 2 1 337.439 1.341 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000356531509 445844983 /nfs/dbraw/zinc/84/49/83/445844983.db2.gz LVMQOSPUDXWOOE-INIZCTEOSA-N 2 1 340.512 1.611 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3nnnn3-c3ccccc3)CC[C@H]21 ZINC000361675954 445873225 /nfs/dbraw/zinc/87/32/25/445873225.db2.gz PUMCAUCNKUSVGK-NVXWUHKLSA-N 2 1 326.448 1.621 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3nnnn3-c3ccccc3)CC[C@H]21 ZINC000361675954 445873231 /nfs/dbraw/zinc/87/32/31/445873231.db2.gz PUMCAUCNKUSVGK-NVXWUHKLSA-N 2 1 326.448 1.621 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3nnnn3-c3ccccc3)CC[C@H]21 ZINC000361675954 445873237 /nfs/dbraw/zinc/87/32/37/445873237.db2.gz PUMCAUCNKUSVGK-NVXWUHKLSA-N 2 1 326.448 1.621 20 0 EDADMP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000356669397 445927284 /nfs/dbraw/zinc/92/72/84/445927284.db2.gz DBQMQLOMRJLBAB-OXQOHEQNSA-N 2 1 347.503 1.863 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)Cc3ccccc3C2)C[N@H+]1C1CC1 ZINC000365917281 445905720 /nfs/dbraw/zinc/90/57/20/445905720.db2.gz DZMBBLVSAHFCKE-YOEHRIQHSA-N 2 1 327.472 1.827 20 0 EDADMP COC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350951964 445957179 /nfs/dbraw/zinc/95/71/79/445957179.db2.gz QVFHRCPOARBGGR-UHFFFAOYSA-N 2 1 333.432 1.685 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2([NH+](C)C)CCc3ccccc32)C1 ZINC000369170454 445966699 /nfs/dbraw/zinc/96/66/99/445966699.db2.gz UEKXJWJQYOCBEB-VQIMIIECSA-N 2 1 331.460 1.227 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@]2([NH+](C)C)CCc3ccccc32)C1 ZINC000369170454 445966701 /nfs/dbraw/zinc/96/67/01/445966701.db2.gz UEKXJWJQYOCBEB-VQIMIIECSA-N 2 1 331.460 1.227 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)[nH+]1 ZINC000369174306 445969637 /nfs/dbraw/zinc/96/96/37/445969637.db2.gz NLLCUYKAGYFFHS-DNVCBOLYSA-N 2 1 328.460 1.865 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000369199398 445988151 /nfs/dbraw/zinc/98/81/51/445988151.db2.gz WCGXMFGOUNMKHK-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000369199398 445988158 /nfs/dbraw/zinc/98/81/58/445988158.db2.gz WCGXMFGOUNMKHK-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC000361793340 445950951 /nfs/dbraw/zinc/95/09/51/445950951.db2.gz WZSNHIQSUNKMPQ-ZOBUZTSGSA-N 2 1 342.553 1.938 20 0 EDADMP CN(CC[N@@H+](C)CCC(=O)Nc1cccnc1)C1CC[NH+](C)CC1 ZINC000361869188 446024378 /nfs/dbraw/zinc/02/43/78/446024378.db2.gz RWEWFFZDTLBGPH-UHFFFAOYSA-N 2 1 333.480 1.368 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000583569694 326097788 /nfs/dbraw/zinc/09/77/88/326097788.db2.gz JPEHJSMRRWNEFO-KRWDZBQOSA-N 2 1 340.512 1.661 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)CCCC[NH3+])C2)cc(OC)c1 ZINC000583932932 326167969 /nfs/dbraw/zinc/16/79/69/326167969.db2.gz QCVXCYMZVYUAHA-HNNXBMFYSA-N 2 1 335.448 1.523 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)CCCC[NH3+])C2)cc(OC)c1 ZINC000583932932 326167971 /nfs/dbraw/zinc/16/79/71/326167971.db2.gz QCVXCYMZVYUAHA-HNNXBMFYSA-N 2 1 335.448 1.523 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1)N1CC[NH2+]CC1 ZINC000583994173 326179949 /nfs/dbraw/zinc/17/99/49/326179949.db2.gz PMYUORYQAJALKZ-KRWDZBQOSA-N 2 1 328.460 1.298 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)NCc3ccc(N4CCCC4)nc3)C2)C1 ZINC000366178419 446065803 /nfs/dbraw/zinc/06/58/03/446065803.db2.gz NYTYVZHJHKNYPT-IBGZPJMESA-N 2 1 343.475 1.919 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc(N4CCCC4)nc3)C2)C1 ZINC000366178420 446065881 /nfs/dbraw/zinc/06/58/81/446065881.db2.gz NYTYVZHJHKNYPT-LJQANCHMSA-N 2 1 343.475 1.919 20 0 EDADMP CCC[C@H](C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000373167248 446070555 /nfs/dbraw/zinc/07/05/55/446070555.db2.gz PQRNXFTXNBQCIX-VVLHAWIVSA-N 2 1 325.497 1.817 20 0 EDADMP CCC[C@H](C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000373167248 446070561 /nfs/dbraw/zinc/07/05/61/446070561.db2.gz PQRNXFTXNBQCIX-VVLHAWIVSA-N 2 1 325.497 1.817 20 0 EDADMP COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000351475213 446077558 /nfs/dbraw/zinc/07/75/58/446077558.db2.gz HYBCUJCGMKCMLM-DDHJSBNISA-N 2 1 333.432 1.700 20 0 EDADMP COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000351475213 446077564 /nfs/dbraw/zinc/07/75/64/446077564.db2.gz HYBCUJCGMKCMLM-DDHJSBNISA-N 2 1 333.432 1.700 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000369654415 446139569 /nfs/dbraw/zinc/13/95/69/446139569.db2.gz LIVCSTXTOOFYHB-ZBFHGGJFSA-N 2 1 348.495 2.000 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCCOc3cccc(Cl)c3)C[C@H]12 ZINC000351494611 446098784 /nfs/dbraw/zinc/09/87/84/446098784.db2.gz OLQKOIHKKBZOKL-UHOFOFEASA-N 2 1 337.851 1.504 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCCOc3cccc(Cl)c3)C[C@H]12 ZINC000351494611 446098792 /nfs/dbraw/zinc/09/87/92/446098792.db2.gz OLQKOIHKKBZOKL-UHOFOFEASA-N 2 1 337.851 1.504 20 0 EDADMP COCCN(C)c1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000369366883 446107242 /nfs/dbraw/zinc/10/72/42/446107242.db2.gz SWJYNHIYYRNUON-OAHLLOKOSA-N 2 1 329.448 1.713 20 0 EDADMP O=C1[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000359293452 446127611 /nfs/dbraw/zinc/12/76/11/446127611.db2.gz VDVCKMULLFLPOQ-ZOWXZIJZSA-N 2 1 339.361 1.962 20 0 EDADMP O=C1[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000359293452 446127615 /nfs/dbraw/zinc/12/76/15/446127615.db2.gz VDVCKMULLFLPOQ-ZOWXZIJZSA-N 2 1 339.361 1.962 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000351616602 446210908 /nfs/dbraw/zinc/21/09/08/446210908.db2.gz ULEURRHYBDTCQL-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H](NC(=O)C1CCN(Cc2nccn2C)CC1)C1=CC[N@@H+](C)CC1 ZINC000370356681 446244606 /nfs/dbraw/zinc/24/46/06/446244606.db2.gz DGMBFKXTEXTNPF-HNNXBMFYSA-N 2 1 345.491 1.399 20 0 EDADMP C[C@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)C1=CC[N@H+](C)CC1 ZINC000370356681 446244609 /nfs/dbraw/zinc/24/46/09/446244609.db2.gz DGMBFKXTEXTNPF-HNNXBMFYSA-N 2 1 345.491 1.399 20 0 EDADMP Cc1c(/C=C/C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cnn1C ZINC000362132152 446228332 /nfs/dbraw/zinc/22/83/32/446228332.db2.gz RWNZMEIRBYVJIO-QWNKOJSDSA-N 2 1 345.491 1.369 20 0 EDADMP Cc1c(/C=C/C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cnn1C ZINC000362132152 446228335 /nfs/dbraw/zinc/22/83/35/446228335.db2.gz RWNZMEIRBYVJIO-QWNKOJSDSA-N 2 1 345.491 1.369 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[N@H+]1C1CC1 ZINC000370323250 446229914 /nfs/dbraw/zinc/22/99/14/446229914.db2.gz DGVMIZNLXQRWKI-SOLBZPMBSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[NH+]1C1CC1 ZINC000370323250 446229923 /nfs/dbraw/zinc/22/99/23/446229923.db2.gz DGVMIZNLXQRWKI-SOLBZPMBSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[NH+]1C1CC1 ZINC000370323250 446229925 /nfs/dbraw/zinc/22/99/25/446229925.db2.gz DGVMIZNLXQRWKI-SOLBZPMBSA-N 2 1 349.523 1.033 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCSC3)CC2)CC1 ZINC000365507751 446235602 /nfs/dbraw/zinc/23/56/02/446235602.db2.gz JOYMRXACGFZIHW-INIZCTEOSA-N 2 1 325.522 1.616 20 0 EDADMP CC(C)CC[C@H](O)C[N@H+]1CCN(C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000366497181 446238251 /nfs/dbraw/zinc/23/82/51/446238251.db2.gz ZFTHHORTACRBQO-OKZBNKHCSA-N 2 1 327.513 1.120 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000373624216 446285033 /nfs/dbraw/zinc/28/50/33/446285033.db2.gz HZGQQMLGIFYWEY-ZQOJQMTGSA-N 2 1 337.508 1.850 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000366771005 446343696 /nfs/dbraw/zinc/34/36/96/446343696.db2.gz YFUSCMAERRRYBZ-GOSISDBHSA-N 2 1 346.475 1.583 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000366771005 446343699 /nfs/dbraw/zinc/34/36/99/446343699.db2.gz YFUSCMAERRRYBZ-GOSISDBHSA-N 2 1 346.475 1.583 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCC[NH2+]CC1 ZINC000417504314 446356549 /nfs/dbraw/zinc/35/65/49/446356549.db2.gz MYPALNMGRVNTEA-GOSISDBHSA-N 2 1 330.476 1.556 20 0 EDADMP C[C@H](C[NH3+])NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417593421 446366317 /nfs/dbraw/zinc/36/63/17/446366317.db2.gz ZSEYFFKCTPPJKF-CQSZACIVSA-N 2 1 326.485 1.447 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000417670613 446369799 /nfs/dbraw/zinc/36/97/99/446369799.db2.gz OMXLUVSPYBBFMB-ARFHVFGLSA-N 2 1 326.485 1.175 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000366830860 446372621 /nfs/dbraw/zinc/37/26/21/446372621.db2.gz SSIZRWLYFGXZOY-ZWKOTPCHSA-N 2 1 337.508 1.699 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000366830860 446372624 /nfs/dbraw/zinc/37/26/24/446372624.db2.gz SSIZRWLYFGXZOY-ZWKOTPCHSA-N 2 1 337.508 1.699 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C2CCN(C(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC000370670843 446379818 /nfs/dbraw/zinc/37/98/18/446379818.db2.gz HZSVAUUAAZFKSU-GOSISDBHSA-N 2 1 345.491 1.108 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C2CCN(C(N)=O)CC2)[C@H](c2ccccc2)C1 ZINC000370670844 446380646 /nfs/dbraw/zinc/38/06/46/446380646.db2.gz HZSVAUUAAZFKSU-SFHVURJKSA-N 2 1 345.491 1.108 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417929350 446388967 /nfs/dbraw/zinc/38/89/67/446388967.db2.gz IQURJLZSTVCZPY-QGZVFWFLSA-N 2 1 339.528 1.091 20 0 EDADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(C(=O)OC)cc2)CC1 ZINC000420284124 446449663 /nfs/dbraw/zinc/44/96/63/446449663.db2.gz CPEXBHYCOHQBFU-UHFFFAOYSA-N 2 1 333.432 1.733 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)N(C)CC[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418002112 446412749 /nfs/dbraw/zinc/41/27/49/446412749.db2.gz YWNXIAPKVRXWBV-IAGOWNOFSA-N 2 1 332.448 1.573 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC000418008252 446413812 /nfs/dbraw/zinc/41/38/12/446413812.db2.gz GYROPKRAIFREKQ-JSGCOSHPSA-N 2 1 326.391 1.400 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC000418008252 446413813 /nfs/dbraw/zinc/41/38/13/446413813.db2.gz GYROPKRAIFREKQ-JSGCOSHPSA-N 2 1 326.391 1.400 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418011615 446415075 /nfs/dbraw/zinc/41/50/75/446415075.db2.gz LBZHBRLEWYQKGY-KPFFTGBYSA-N 2 1 342.487 1.902 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000370766142 446424054 /nfs/dbraw/zinc/42/40/54/446424054.db2.gz KBYJGRGKLVRUNK-HPFXQQBRSA-N 2 1 330.476 1.926 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)C2([NH3+])CCCCC2)[C@H](c2ccccc2)C1 ZINC000370765908 446424405 /nfs/dbraw/zinc/42/44/05/446424405.db2.gz IESJMZKNZTVBCN-SFHVURJKSA-N 2 1 344.503 1.753 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000418199084 446455385 /nfs/dbraw/zinc/45/53/85/446455385.db2.gz MUFBNYWLAZRKQK-CVEARBPZSA-N 2 1 340.512 1.504 20 0 EDADMP CCn1ccnc1C[N@H+](CCCC(=O)OC)[C@@H]1CC12CC[NH2+]CC2 ZINC000420302292 446465626 /nfs/dbraw/zinc/46/56/26/446465626.db2.gz BRPOQHDJSWAMJI-OAHLLOKOSA-N 2 1 334.464 1.800 20 0 EDADMP CCn1ccnc1C[N@@H+](CCCC(=O)OC)[C@@H]1CC12CC[NH2+]CC2 ZINC000420302292 446465631 /nfs/dbraw/zinc/46/56/31/446465631.db2.gz BRPOQHDJSWAMJI-OAHLLOKOSA-N 2 1 334.464 1.800 20 0 EDADMP [NH3+]CCN(CCO)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418248207 446472745 /nfs/dbraw/zinc/47/27/45/446472745.db2.gz VEZJZPXIRQPQHF-SFHVURJKSA-N 2 1 348.491 1.251 20 0 EDADMP CN(C(=O)[C@@H]1CC1(Cl)Cl)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370839475 446472936 /nfs/dbraw/zinc/47/29/36/446472936.db2.gz QIWIZWOWAAIVAQ-STQMWFEESA-N 2 1 334.291 1.807 20 0 EDADMP CN(C(=O)[C@@H]1CC1(Cl)Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370839475 446472945 /nfs/dbraw/zinc/47/29/45/446472945.db2.gz QIWIZWOWAAIVAQ-STQMWFEESA-N 2 1 334.291 1.807 20 0 EDADMP C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CC[C@H]1CC[NH2+]C1 ZINC000420316642 446481756 /nfs/dbraw/zinc/48/17/56/446481756.db2.gz MWHLIAKSOAKWMS-OAHLLOKOSA-N 2 1 340.489 1.790 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)N(CC[NH3+])CCc2ccccc2)C1 ZINC000418274995 446480507 /nfs/dbraw/zinc/48/05/07/446480507.db2.gz DJEKCAXVJCXXCH-GOSISDBHSA-N 2 1 332.492 1.931 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000420318095 446483849 /nfs/dbraw/zinc/48/38/49/446483849.db2.gz VTGUXBGMGZSJDI-JZXOWHBKSA-N 2 1 331.460 1.505 20 0 EDADMP Cc1noc([C@H]2CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000420322225 446487217 /nfs/dbraw/zinc/48/72/17/446487217.db2.gz SEUGBIRWIHSKMB-ULQDDVLXSA-N 2 1 330.432 1.488 20 0 EDADMP Cc1noc([C@H]2CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000420322225 446487222 /nfs/dbraw/zinc/48/72/22/446487222.db2.gz SEUGBIRWIHSKMB-ULQDDVLXSA-N 2 1 330.432 1.488 20 0 EDADMP O=C(NCCC[NH2+]C1CC1)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418296830 446489769 /nfs/dbraw/zinc/48/97/69/446489769.db2.gz GXNFJFKEUCDREX-ZWKOTPCHSA-N 2 1 346.475 1.063 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000423332653 446492113 /nfs/dbraw/zinc/49/21/13/446492113.db2.gz QWMMJCJPPWAMKI-XOKHGSTOSA-N 2 1 344.459 1.463 20 0 EDADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423363991 446501349 /nfs/dbraw/zinc/50/13/49/446501349.db2.gz OMPGPXYYFDWRSJ-DZGCQCFKSA-N 2 1 325.478 1.730 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CC([NH3+])C1 ZINC000420334472 446504280 /nfs/dbraw/zinc/50/42/80/446504280.db2.gz OLJCDRAPPCCZDX-UHFFFAOYSA-N 2 1 330.432 1.564 20 0 EDADMP Cc1nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000432816622 446509708 /nfs/dbraw/zinc/50/97/08/446509708.db2.gz AQKAYROITOYBEE-AJNGGQMLSA-N 2 1 347.511 1.238 20 0 EDADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)CC1(C[NH3+])CC1)CC2 ZINC000423393739 446515424 /nfs/dbraw/zinc/51/54/24/446515424.db2.gz QYIHBZZRJUXYDB-UHFFFAOYSA-N 2 1 347.459 1.307 20 0 EDADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)CC1(C[NH3+])CC1)CC2 ZINC000423393739 446515428 /nfs/dbraw/zinc/51/54/28/446515428.db2.gz QYIHBZZRJUXYDB-UHFFFAOYSA-N 2 1 347.459 1.307 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000418487605 446562414 /nfs/dbraw/zinc/56/24/14/446562414.db2.gz JTWBNFXORCHFKH-XHSDSOJGSA-N 2 1 348.491 1.957 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000418487605 446562421 /nfs/dbraw/zinc/56/24/21/446562421.db2.gz JTWBNFXORCHFKH-XHSDSOJGSA-N 2 1 348.491 1.957 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000418491198 446564180 /nfs/dbraw/zinc/56/41/80/446564180.db2.gz OADLMEDRSUKIBI-GJZGRUSLSA-N 2 1 348.491 1.693 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418493721 446565546 /nfs/dbraw/zinc/56/55/46/446565546.db2.gz WWRXQEOPTKTCSS-GOSISDBHSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000418494751 446565691 /nfs/dbraw/zinc/56/56/91/446565691.db2.gz SPOQNALCROEIMZ-OAHLLOKOSA-N 2 1 348.491 1.959 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000418494751 446565696 /nfs/dbraw/zinc/56/56/96/446565696.db2.gz SPOQNALCROEIMZ-OAHLLOKOSA-N 2 1 348.491 1.959 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)C3(C)C[NH2+]C3)CC2)cs1 ZINC000423401662 446518522 /nfs/dbraw/zinc/51/85/22/446518522.db2.gz GNKWLTSOEUSIHO-UHFFFAOYSA-N 2 1 336.505 1.643 20 0 EDADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1F ZINC000420347296 446521975 /nfs/dbraw/zinc/52/19/75/446521975.db2.gz GJSGLXRIZFNMPZ-HOCLYGCPSA-N 2 1 334.439 1.441 20 0 EDADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1F ZINC000420347296 446521977 /nfs/dbraw/zinc/52/19/77/446521977.db2.gz GJSGLXRIZFNMPZ-HOCLYGCPSA-N 2 1 334.439 1.441 20 0 EDADMP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348247 446523718 /nfs/dbraw/zinc/52/37/18/446523718.db2.gz KJLUEEGYHKLHFB-AEFFLSMTSA-N 2 1 342.487 1.334 20 0 EDADMP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348247 446523724 /nfs/dbraw/zinc/52/37/24/446523724.db2.gz KJLUEEGYHKLHFB-AEFFLSMTSA-N 2 1 342.487 1.334 20 0 EDADMP NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411406938 446524793 /nfs/dbraw/zinc/52/47/93/446524793.db2.gz KJHHFIUTXGGRHC-QGZVFWFLSA-N 2 1 337.489 1.535 20 0 EDADMP NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411406938 446524801 /nfs/dbraw/zinc/52/48/01/446524801.db2.gz KJHHFIUTXGGRHC-QGZVFWFLSA-N 2 1 337.489 1.535 20 0 EDADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420348434 446526030 /nfs/dbraw/zinc/52/60/30/446526030.db2.gz LPXHLAQIUZBPOD-MAUKXSAKSA-N 2 1 330.476 1.556 20 0 EDADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420348434 446526034 /nfs/dbraw/zinc/52/60/34/446526034.db2.gz LPXHLAQIUZBPOD-MAUKXSAKSA-N 2 1 330.476 1.556 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)C[C@H](C)O1 ZINC000423438871 446538235 /nfs/dbraw/zinc/53/82/35/446538235.db2.gz VOQUEIMJBCPYIM-DAYGRLMNSA-N 2 1 337.508 1.852 20 0 EDADMP CCC[C@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000418421805 446538730 /nfs/dbraw/zinc/53/87/30/446538730.db2.gz CXPCNPFDFCRBGG-ROUUACIJSA-N 2 1 348.491 1.829 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000420360269 446540566 /nfs/dbraw/zinc/54/05/66/446540566.db2.gz KYIKELTVGAPNGW-OAHLLOKOSA-N 2 1 346.500 1.933 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000370958134 446541021 /nfs/dbraw/zinc/54/10/21/446541021.db2.gz ZLLGTTPCUYVHCR-SFHVURJKSA-N 2 1 345.487 1.313 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)NCC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000418431823 446541845 /nfs/dbraw/zinc/54/18/45/446541845.db2.gz RNXBOUVXBMQSGO-GASCZTMLSA-N 2 1 340.512 1.645 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[NH2+][C@H]3CC[NH2+]CC3(C)C)CC2)c1 ZINC000420370527 446549169 /nfs/dbraw/zinc/54/91/69/446549169.db2.gz WDTTVFPYKWBMPJ-SFHVURJKSA-N 2 1 344.503 1.621 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418469157 446555271 /nfs/dbraw/zinc/55/52/71/446555271.db2.gz JVRGXZYYSPSQCZ-WBVHZDCISA-N 2 1 333.480 1.672 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000418601237 446610358 /nfs/dbraw/zinc/61/03/58/446610358.db2.gz UJATUAMJAKZSLR-RYRKJORJSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000418601237 446610363 /nfs/dbraw/zinc/61/03/63/446610363.db2.gz UJATUAMJAKZSLR-RYRKJORJSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000418609436 446614630 /nfs/dbraw/zinc/61/46/30/446614630.db2.gz SMHDNZKHLSTRPQ-BGTYHANMSA-N 2 1 346.475 1.062 20 0 EDADMP CC(C)CCOCC[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420400511 446572766 /nfs/dbraw/zinc/57/27/66/446572766.db2.gz JSRAYSDJXKQLQS-IRXDYDNUSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC000433464046 446576127 /nfs/dbraw/zinc/57/61/27/446576127.db2.gz UZTIHGWWWCGYBZ-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433464046 446576134 /nfs/dbraw/zinc/57/61/34/446576134.db2.gz UZTIHGWWWCGYBZ-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433464046 446576139 /nfs/dbraw/zinc/57/61/39/446576139.db2.gz UZTIHGWWWCGYBZ-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)CC[NH3+] ZINC000418515570 446576663 /nfs/dbraw/zinc/57/66/63/446576663.db2.gz BQHLSLIWJJIZEX-DOTOQJQBSA-N 2 1 333.480 1.815 20 0 EDADMP O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418520864 446578421 /nfs/dbraw/zinc/57/84/21/446578421.db2.gz HYYVECXLCLNHFY-QYZOEREBSA-N 2 1 342.487 1.759 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)NCCCOC2CCCCC2)C[C@H]1C[NH3+] ZINC000420406767 446580829 /nfs/dbraw/zinc/58/08/29/446580829.db2.gz NYKMBLAGESGPGA-HZPDHXFCSA-N 2 1 325.497 1.759 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCOC2CCCCC2)C[C@H]1C[NH3+] ZINC000420406767 446580835 /nfs/dbraw/zinc/58/08/35/446580835.db2.gz NYKMBLAGESGPGA-HZPDHXFCSA-N 2 1 325.497 1.759 20 0 EDADMP C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000418529253 446582027 /nfs/dbraw/zinc/58/20/27/446582027.db2.gz SYMOGHXICUUSAF-HYVNUMGLSA-N 2 1 339.528 1.312 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418538663 446585073 /nfs/dbraw/zinc/58/50/73/446585073.db2.gz DWKXBYFVHBMIGW-RDJZCZTQSA-N 2 1 333.480 1.815 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000418545050 446588439 /nfs/dbraw/zinc/58/84/39/446588439.db2.gz DLTVXCJVOROLLE-GOEBONIOSA-N 2 1 336.505 1.758 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000371090148 446620514 /nfs/dbraw/zinc/62/05/14/446620514.db2.gz WKPQTGMCVZGJFU-WMZOPIPTSA-N 2 1 346.475 1.583 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000371090148 446620521 /nfs/dbraw/zinc/62/05/21/446620521.db2.gz WKPQTGMCVZGJFU-WMZOPIPTSA-N 2 1 346.475 1.583 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371090148 446620551 /nfs/dbraw/zinc/62/05/51/446620551.db2.gz WKPQTGMCVZGJFU-WMZOPIPTSA-N 2 1 346.475 1.583 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000371090148 446620531 /nfs/dbraw/zinc/62/05/31/446620531.db2.gz WKPQTGMCVZGJFU-WMZOPIPTSA-N 2 1 346.475 1.583 20 0 EDADMP CC[C@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1C[C@@H](C)O ZINC000418667478 446641935 /nfs/dbraw/zinc/64/19/35/446641935.db2.gz MQZDQUVIHOGMPF-VQHPVUNQSA-N 2 1 340.512 1.238 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418667654 446642379 /nfs/dbraw/zinc/64/23/79/446642379.db2.gz HKXMNXSVTVVMMJ-SFHVURJKSA-N 2 1 348.491 1.830 20 0 EDADMP C[N@@H+]1CC[C@@H](CN[C@H](Cc2ccccc2)C(N)=O)[C@@H]1c1cccnc1 ZINC000376690166 446653499 /nfs/dbraw/zinc/65/34/99/446653499.db2.gz OUCYVRUQAOVEST-OTWHNJEPSA-N 2 1 338.455 1.761 20 0 EDADMP O=C(C[C@@H]1CCC[NH2+]1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000423717689 446656503 /nfs/dbraw/zinc/65/65/03/446656503.db2.gz AOSHIALXAYHBOD-SFHVURJKSA-N 2 1 346.475 1.275 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC[N@H+](C2CC2)C1 ZINC000418642202 446628411 /nfs/dbraw/zinc/62/84/11/446628411.db2.gz SVWLNNOTDIRUIK-KXBFYZLASA-N 2 1 342.487 1.999 20 0 EDADMP COC[C@@]1(CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCC[NH2+]1 ZINC000418650007 446633549 /nfs/dbraw/zinc/63/35/49/446633549.db2.gz FKADXSXNWUXHLG-AEFFLSMTSA-N 2 1 338.496 1.128 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)CC2(C[NH3+])CCCCC2)C[C@H](C)O1 ZINC000423758546 446687234 /nfs/dbraw/zinc/68/72/34/446687234.db2.gz GDXJBJUHADWRNU-IYBDPMFKSA-N 2 1 325.497 1.853 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)CC2(C[NH3+])CCCCC2)C[C@H](C)O1 ZINC000423758546 446687242 /nfs/dbraw/zinc/68/72/42/446687242.db2.gz GDXJBJUHADWRNU-IYBDPMFKSA-N 2 1 325.497 1.853 20 0 EDADMP O=C(CC[N@H+]1CCC[C@H]2COC[C@H]21)N1CCN(c2ccccn2)CC1 ZINC000376739917 446689603 /nfs/dbraw/zinc/68/96/03/446689603.db2.gz OAXVNYJYHUYQAW-DLBZAZTESA-N 2 1 344.459 1.231 20 0 EDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000423763134 446693238 /nfs/dbraw/zinc/69/32/38/446693238.db2.gz RAUASAMIKFVPQQ-OAHLLOKOSA-N 2 1 348.495 1.367 20 0 EDADMP CCC[C@H](C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)[NH+](C)C ZINC000371225026 446702457 /nfs/dbraw/zinc/70/24/57/446702457.db2.gz FOCQQDXAQMDJJR-JKSUJKDBSA-N 2 1 333.480 1.909 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000423828174 446718417 /nfs/dbraw/zinc/71/84/17/446718417.db2.gz OCWQUMXDPDMORW-NVXWUHKLSA-N 2 1 337.851 1.580 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000423828174 446718421 /nfs/dbraw/zinc/71/84/21/446718421.db2.gz OCWQUMXDPDMORW-NVXWUHKLSA-N 2 1 337.851 1.580 20 0 EDADMP CC[C@H]1CN(C(=O)C2([NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000423831384 446721962 /nfs/dbraw/zinc/72/19/62/446721962.db2.gz VYYQKPQCOLKIDA-KRWDZBQOSA-N 2 1 331.460 1.617 20 0 EDADMP CC[C@H]1CN(C(=O)C2([NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000423831384 446721968 /nfs/dbraw/zinc/72/19/68/446721968.db2.gz VYYQKPQCOLKIDA-KRWDZBQOSA-N 2 1 331.460 1.617 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC[N@@H+]1C ZINC000376824789 446740027 /nfs/dbraw/zinc/74/00/27/446740027.db2.gz YICZSNZHBLLYNC-PMPSAXMXSA-N 2 1 337.489 1.522 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC[N@H+]1C ZINC000376824789 446740031 /nfs/dbraw/zinc/74/00/31/446740031.db2.gz YICZSNZHBLLYNC-PMPSAXMXSA-N 2 1 337.489 1.522 20 0 EDADMP CN(CC[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000375336924 446732237 /nfs/dbraw/zinc/73/22/37/446732237.db2.gz PVLFOVKFQSCUJO-UHFFFAOYSA-N 2 1 346.519 1.463 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000418855152 446753935 /nfs/dbraw/zinc/75/39/35/446753935.db2.gz CWZDIHUHCFRSNC-AWEZNQCLSA-N 2 1 338.496 1.001 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438881105 446801283 /nfs/dbraw/zinc/80/12/83/446801283.db2.gz JVJBRKNIAIRPIS-YOEHRIQHSA-N 2 1 328.460 1.838 20 0 EDADMP C[C@@H]1CN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)[N@H+]1C ZINC000454223498 446814223 /nfs/dbraw/zinc/81/42/23/446814223.db2.gz HLRNUROLQQPPEY-FZKCQIBNSA-N 2 1 326.485 1.220 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000377008900 446857328 /nfs/dbraw/zinc/85/73/28/446857328.db2.gz CTCQSQDZAZCGDG-UHFFFAOYSA-N 2 1 336.524 1.489 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000424453504 446875061 /nfs/dbraw/zinc/87/50/61/446875061.db2.gz KHFVBJLXDQWURA-HNNXBMFYSA-N 2 1 346.475 1.629 20 0 EDADMP CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420904179 446880370 /nfs/dbraw/zinc/88/03/70/446880370.db2.gz BTHKRGRAKARCLU-SFHVURJKSA-N 2 1 331.460 1.477 20 0 EDADMP CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420904179 446880376 /nfs/dbraw/zinc/88/03/76/446880376.db2.gz BTHKRGRAKARCLU-SFHVURJKSA-N 2 1 331.460 1.477 20 0 EDADMP CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924749 446894612 /nfs/dbraw/zinc/89/46/12/446894612.db2.gz UKSFWKKEYOWFDI-LJQANCHMSA-N 2 1 336.476 1.737 20 0 EDADMP CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924749 446894617 /nfs/dbraw/zinc/89/46/17/446894617.db2.gz UKSFWKKEYOWFDI-LJQANCHMSA-N 2 1 336.476 1.737 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419076986 446907400 /nfs/dbraw/zinc/90/74/00/446907400.db2.gz ILDRRWCWPYITCB-HNNXBMFYSA-N 2 1 338.496 1.145 20 0 EDADMP CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420972648 446943847 /nfs/dbraw/zinc/94/38/47/446943847.db2.gz MFHKAXIJSNFRQF-SFHVURJKSA-N 2 1 331.460 1.429 20 0 EDADMP CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420972648 446943852 /nfs/dbraw/zinc/94/38/52/446943852.db2.gz MFHKAXIJSNFRQF-SFHVURJKSA-N 2 1 331.460 1.429 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442757326 446953835 /nfs/dbraw/zinc/95/38/35/446953835.db2.gz GDJXCOCXXOJDOF-GDBMZVCRSA-N 2 1 349.475 1.721 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442757326 446953838 /nfs/dbraw/zinc/95/38/38/446953838.db2.gz GDJXCOCXXOJDOF-GDBMZVCRSA-N 2 1 349.475 1.721 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442769264 446959551 /nfs/dbraw/zinc/95/95/51/446959551.db2.gz POQKGPYKCWAHET-QLFBSQMISA-N 2 1 344.459 1.810 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442769264 446959555 /nfs/dbraw/zinc/95/95/55/446959555.db2.gz POQKGPYKCWAHET-QLFBSQMISA-N 2 1 344.459 1.810 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000454967085 447015305 /nfs/dbraw/zinc/01/53/05/447015305.db2.gz WJETZXGFFLZOFL-DSLXNQLJSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000454967085 447015310 /nfs/dbraw/zinc/01/53/10/447015310.db2.gz WJETZXGFFLZOFL-DSLXNQLJSA-N 2 1 342.487 1.995 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000372146600 447018314 /nfs/dbraw/zinc/01/83/14/447018314.db2.gz NJJJUJUMMSUXMP-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)C2)CC1 ZINC000377196531 446985091 /nfs/dbraw/zinc/98/50/91/446985091.db2.gz JIRLUNCZXANDPZ-FZCLSBEQSA-N 2 1 334.508 1.192 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)C2)CC1 ZINC000377196531 446985101 /nfs/dbraw/zinc/98/51/01/446985101.db2.gz JIRLUNCZXANDPZ-FZCLSBEQSA-N 2 1 334.508 1.192 20 0 EDADMP COC(=O)CN1CCC([NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000368638625 446998155 /nfs/dbraw/zinc/99/81/55/446998155.db2.gz ZUSAKAPLZKGPHU-XLIONFOSSA-N 2 1 345.487 1.906 20 0 EDADMP C[C@H](C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000372099440 447000927 /nfs/dbraw/zinc/00/09/27/447000927.db2.gz UVYDISXFPHYMQE-QXAKKESOSA-N 2 1 344.503 1.561 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000443059573 447002541 /nfs/dbraw/zinc/00/25/41/447002541.db2.gz NDHKWFRDYYFCOZ-QGZVFWFLSA-N 2 1 345.491 1.181 20 0 EDADMP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000419191353 447002725 /nfs/dbraw/zinc/00/27/25/447002725.db2.gz OAGCPVQJRFYSRZ-CABCVRRESA-N 2 1 346.475 1.141 20 0 EDADMP NC(=O)NC(=O)CCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000368691750 447041174 /nfs/dbraw/zinc/04/11/74/447041174.db2.gz ISFCBZCWVAKFDO-SJORKVTESA-N 2 1 344.459 1.415 20 0 EDADMP NC(=O)NC(=O)CCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368691750 447041180 /nfs/dbraw/zinc/04/11/80/447041180.db2.gz ISFCBZCWVAKFDO-SJORKVTESA-N 2 1 344.459 1.415 20 0 EDADMP NC(=O)NC(=O)CCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368691750 447041187 /nfs/dbraw/zinc/04/11/87/447041187.db2.gz ISFCBZCWVAKFDO-SJORKVTESA-N 2 1 344.459 1.415 20 0 EDADMP C[C@H](C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1)[NH+]1CCCCCC1 ZINC000444383007 447096862 /nfs/dbraw/zinc/09/68/62/447096862.db2.gz QTSWQCSXBDYNFG-JKSUJKDBSA-N 2 1 325.497 1.555 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000375939865 447163786 /nfs/dbraw/zinc/16/37/86/447163786.db2.gz CIBADQMOBPFDGM-QGZVFWFLSA-N 3 1 332.496 1.145 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000375901683 447132873 /nfs/dbraw/zinc/13/28/73/447132873.db2.gz CRSJVJXOCPEYEL-RBUKOAKNSA-N 2 1 335.467 1.959 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000455657991 447199075 /nfs/dbraw/zinc/19/90/75/447199075.db2.gz MOEWANXIVHHJOK-UHFFFAOYSA-N 2 1 336.484 1.831 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000377564665 447208052 /nfs/dbraw/zinc/20/80/52/447208052.db2.gz PMBVOCLFMZVAOK-INIZCTEOSA-N 2 1 339.480 1.382 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000375952686 447170568 /nfs/dbraw/zinc/17/05/68/447170568.db2.gz CQJJMXOTEMXQJD-MOPGFXCFSA-N 2 1 339.524 1.672 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCC[C@@](O)(C(N)=O)C2)cc1 ZINC000377619045 447249266 /nfs/dbraw/zinc/24/92/66/447249266.db2.gz CWZZMGDZUMGLEH-UGSOOPFHSA-N 2 1 328.416 1.554 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCC[C@@](O)(C(N)=O)C2)cc1 ZINC000377619045 447249271 /nfs/dbraw/zinc/24/92/71/447249271.db2.gz CWZZMGDZUMGLEH-UGSOOPFHSA-N 2 1 328.416 1.554 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCC1CC2 ZINC000372732216 447254065 /nfs/dbraw/zinc/25/40/65/447254065.db2.gz MLIAWJICNAUMJA-LJQANCHMSA-N 2 1 343.471 1.584 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCC1CC2 ZINC000372732216 447254071 /nfs/dbraw/zinc/25/40/71/447254071.db2.gz MLIAWJICNAUMJA-LJQANCHMSA-N 2 1 343.471 1.584 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000376046462 447233090 /nfs/dbraw/zinc/23/30/90/447233090.db2.gz ZKLWXODZKVRLCH-BPQIPLTHSA-N 2 1 333.476 1.719 20 0 EDADMP CO[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)CC(C)C ZINC000419521143 447239504 /nfs/dbraw/zinc/23/95/04/447239504.db2.gz RBRVISQGWFITJS-KRWDZBQOSA-N 2 1 342.528 1.715 20 0 EDADMP CO[C@H](CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)CC(C)C ZINC000419521143 447239508 /nfs/dbraw/zinc/23/95/08/447239508.db2.gz RBRVISQGWFITJS-KRWDZBQOSA-N 2 1 342.528 1.715 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+]1CCCCC1 ZINC000369046246 447285195 /nfs/dbraw/zinc/28/51/95/447285195.db2.gz FDKKZRIRRFMRQN-ZACQAIPSSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000369046802 447285958 /nfs/dbraw/zinc/28/59/58/447285958.db2.gz ITDBDANJKBFKQZ-VYDXJSESSA-N 2 1 338.496 1.269 20 0 EDADMP COC1(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCOCC1 ZINC000369015273 447264960 /nfs/dbraw/zinc/26/49/60/447264960.db2.gz DSRKXTWHSBGDDD-LJQANCHMSA-N 2 1 348.487 1.751 20 0 EDADMP COC1(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCOCC1 ZINC000369015273 447264965 /nfs/dbraw/zinc/26/49/65/447264965.db2.gz DSRKXTWHSBGDDD-LJQANCHMSA-N 2 1 348.487 1.751 20 0 EDADMP COC1(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000369015273 447264971 /nfs/dbraw/zinc/26/49/71/447264971.db2.gz DSRKXTWHSBGDDD-LJQANCHMSA-N 2 1 348.487 1.751 20 0 EDADMP COC1(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000369015273 447264977 /nfs/dbraw/zinc/26/49/77/447264977.db2.gz DSRKXTWHSBGDDD-LJQANCHMSA-N 2 1 348.487 1.751 20 0 EDADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cn1C ZINC000377648715 447271022 /nfs/dbraw/zinc/27/10/22/447271022.db2.gz LKKMLKVCFODQKD-HYVNUMGLSA-N 2 1 349.475 1.791 20 0 EDADMP COC[C@]1(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000379673178 447453239 /nfs/dbraw/zinc/45/32/39/447453239.db2.gz PJEUWVKZFORGNZ-LPHOPBHVSA-N 2 1 333.476 1.639 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379682560 447453627 /nfs/dbraw/zinc/45/36/27/447453627.db2.gz XVYSCZTVCMUEBT-AEFFLSMTSA-N 2 1 330.476 1.061 20 0 EDADMP COCC1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000381175965 447458956 /nfs/dbraw/zinc/45/89/56/447458956.db2.gz ZVYLWVNVZGRHQZ-SFHVURJKSA-N 2 1 345.487 1.641 20 0 EDADMP COCCOC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000450345910 447462694 /nfs/dbraw/zinc/46/26/94/447462694.db2.gz CIRBZMBODUTXLN-QZTJIDSGSA-N 2 1 328.497 1.598 20 0 EDADMP CCN(C(=O)C(=O)NCC[NH2+]C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000419897542 447476416 /nfs/dbraw/zinc/47/64/16/447476416.db2.gz OLHNHMYCVGPWDZ-WBVHZDCISA-N 2 1 346.475 1.006 20 0 EDADMP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CSC[NH2+]1 ZINC000390955431 447508629 /nfs/dbraw/zinc/50/86/29/447508629.db2.gz YMVJNLUKUKXQNZ-CVEARBPZSA-N 2 1 335.473 1.056 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CSC[NH2+]1 ZINC000390955431 447508633 /nfs/dbraw/zinc/50/86/33/447508633.db2.gz YMVJNLUKUKXQNZ-CVEARBPZSA-N 2 1 335.473 1.056 20 0 EDADMP C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000426938667 447518941 /nfs/dbraw/zinc/51/89/41/447518941.db2.gz BIUQNEKECTVNRA-MAUKXSAKSA-N 2 1 334.508 1.240 20 0 EDADMP COC[C@@]1(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]C1 ZINC000396405368 447543012 /nfs/dbraw/zinc/54/30/12/447543012.db2.gz CYGXIPGDXGYTOQ-VQIMIIECSA-N 2 1 331.460 1.345 20 0 EDADMP COC[C@@]1(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]C1 ZINC000396405368 447543017 /nfs/dbraw/zinc/54/30/17/447543017.db2.gz CYGXIPGDXGYTOQ-VQIMIIECSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000427270054 447572081 /nfs/dbraw/zinc/57/20/81/447572081.db2.gz PXGNXCDQZZPSTP-IAGOWNOFSA-N 2 1 330.476 1.313 20 0 EDADMP CCOC(=O)c1noc(CN2CC[C@@H](CNc3cccc(C)n3)C2)n1 ZINC000459344431 447640882 /nfs/dbraw/zinc/64/08/82/447640882.db2.gz RKJFNRSGLXDETN-ZDUSSCGKSA-N 2 1 345.403 1.884 20 0 EDADMP CC[N@H+](CCC1CC[NH+](Cc2cn(CC(N)=O)nn2)CC1)CC1CC1 ZINC000459350423 447642781 /nfs/dbraw/zinc/64/27/81/447642781.db2.gz CDMNZWIFQFWUBW-UHFFFAOYSA-N 2 1 348.495 1.097 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(CC(N)=O)nn2)CC1)CC1CC1 ZINC000459350423 447642785 /nfs/dbraw/zinc/64/27/85/447642785.db2.gz CDMNZWIFQFWUBW-UHFFFAOYSA-N 2 1 348.495 1.097 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000420111438 447609056 /nfs/dbraw/zinc/60/90/56/447609056.db2.gz CKKWJARZAYJIHF-KEYYUXOJSA-N 2 1 344.459 1.018 20 0 EDADMP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000416870657 447700826 /nfs/dbraw/zinc/70/08/26/447700826.db2.gz OJWUUBGWMHFAON-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416890322 447702772 /nfs/dbraw/zinc/70/27/72/447702772.db2.gz WNXFJQWDMHZELZ-KRWDZBQOSA-N 2 1 334.464 1.301 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000427914053 447668613 /nfs/dbraw/zinc/66/86/13/447668613.db2.gz PTTPNKGZIGKHAR-INIZCTEOSA-N 2 1 337.508 1.819 20 0 EDADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2cnc(C3CC3)nc2)ccn1 ZINC000459464461 447674809 /nfs/dbraw/zinc/67/48/09/447674809.db2.gz OZMVCCOQDVDWRJ-UHFFFAOYSA-N 2 1 327.432 1.979 20 0 EDADMP COCc1cccc(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422633033 447680800 /nfs/dbraw/zinc/68/08/00/447680800.db2.gz HVDPAVNHISWCDI-MPGHIAIKSA-N 2 1 333.476 1.754 20 0 EDADMP COCc1cccc(CNC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422633033 447680802 /nfs/dbraw/zinc/68/08/02/447680802.db2.gz HVDPAVNHISWCDI-MPGHIAIKSA-N 2 1 333.476 1.754 20 0 EDADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422635568 447681476 /nfs/dbraw/zinc/68/14/76/447681476.db2.gz LOCGIPVMFCMBCI-VGWMRTNUSA-N 2 1 339.480 1.236 20 0 EDADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422635568 447681482 /nfs/dbraw/zinc/68/14/82/447681482.db2.gz LOCGIPVMFCMBCI-VGWMRTNUSA-N 2 1 339.480 1.236 20 0 EDADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCc3cn[nH]c3)CC2)C[C@@H](C)O1 ZINC000459478444 447682033 /nfs/dbraw/zinc/68/20/33/447682033.db2.gz SOJOCXQMUBGVFO-HZPDHXFCSA-N 2 1 336.480 1.542 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000416943809 447719862 /nfs/dbraw/zinc/71/98/62/447719862.db2.gz UHOODKDNACOIAB-ARFHVFGLSA-N 2 1 326.485 1.125 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+]1CCOCC1 ZINC000416950125 447723357 /nfs/dbraw/zinc/72/33/57/447723357.db2.gz HSAJMQOIYXKOGD-PVAVHDDUSA-N 2 1 340.512 1.502 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000416952102 447724013 /nfs/dbraw/zinc/72/40/13/447724013.db2.gz JAZPPJKKERYTES-AEFFLSMTSA-N 2 1 340.512 1.504 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH+]c1 ZINC000417058390 447732264 /nfs/dbraw/zinc/73/22/64/447732264.db2.gz FONPXLNUNFCDHK-OWCLPIDISA-N 2 1 331.464 1.879 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422834103 447764570 /nfs/dbraw/zinc/76/45/70/447764570.db2.gz NHZPLPGPJNUNHI-RYQLBKOJSA-N 2 1 328.460 1.968 20 0 EDADMP CCC[NH2+]CCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417266534 447739013 /nfs/dbraw/zinc/73/90/13/447739013.db2.gz FDVFRQWXSZEEJN-MRXNPFEDSA-N 2 1 348.491 1.706 20 0 EDADMP CCC[NH2+]CCNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417266534 447739015 /nfs/dbraw/zinc/73/90/15/447739015.db2.gz FDVFRQWXSZEEJN-MRXNPFEDSA-N 2 1 348.491 1.706 20 0 EDADMP C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1c[nH+]ccc1N ZINC000422794611 447750801 /nfs/dbraw/zinc/75/08/01/447750801.db2.gz ZFKWYPQSOCKYRF-GFCCVEGCSA-N 2 1 331.420 1.399 20 0 EDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000422820616 447759742 /nfs/dbraw/zinc/75/97/42/447759742.db2.gz RKTAWOQFLUATKI-HIFRSBDPSA-N 2 1 325.478 1.415 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000522879936 447861062 /nfs/dbraw/zinc/86/10/62/447861062.db2.gz KALGSHDFQFMTEJ-IAGOWNOFSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522879936 447861069 /nfs/dbraw/zinc/86/10/69/447861069.db2.gz KALGSHDFQFMTEJ-IAGOWNOFSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522879936 447861079 /nfs/dbraw/zinc/86/10/79/447861079.db2.gz KALGSHDFQFMTEJ-IAGOWNOFSA-N 2 1 328.460 1.647 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530574992 447916883 /nfs/dbraw/zinc/91/68/83/447916883.db2.gz QAYZLEHLTWORFK-UYAOXDASSA-N 2 1 345.487 1.470 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530574992 447916889 /nfs/dbraw/zinc/91/68/89/447916889.db2.gz QAYZLEHLTWORFK-UYAOXDASSA-N 2 1 345.487 1.470 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)cc1)C1CC1 ZINC000575871495 447918290 /nfs/dbraw/zinc/91/82/90/447918290.db2.gz FGQOPJCZZYTMOQ-OALUTQOASA-N 2 1 343.471 1.874 20 0 EDADMP CC(C)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)N1CC[NH+](C)CC1 ZINC000576210411 447999944 /nfs/dbraw/zinc/99/99/44/447999944.db2.gz KKUVALUKHZAJOB-GOSISDBHSA-N 2 1 345.491 1.683 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CNC[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000576100679 447971126 /nfs/dbraw/zinc/97/11/26/447971126.db2.gz XDLYRESKPYZBHG-IZBJGVDFSA-N 2 1 349.519 1.219 20 0 EDADMP CC[C@H](C)NC(=O)c1cccc(CNC[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000576321651 448025862 /nfs/dbraw/zinc/02/58/62/448025862.db2.gz RRKDOFVAHOYDOR-KBXCAEBGSA-N 2 1 333.476 1.760 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000570442841 448015090 /nfs/dbraw/zinc/01/50/90/448015090.db2.gz UVSRKULVVCGXKS-INIZCTEOSA-N 2 1 333.480 1.803 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000526041169 448085459 /nfs/dbraw/zinc/08/54/59/448085459.db2.gz WJPGDEUNZUZNED-LSDHHAIUSA-N 2 1 339.505 1.943 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)[NH+](C)C1 ZINC000501768961 448097578 /nfs/dbraw/zinc/09/75/78/448097578.db2.gz FZPUZFPTSQCTQE-UGUYLWEFSA-N 2 1 326.485 1.076 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2C[NH+](C(C)C)C[C@H]2C)[N@H+](C)C1 ZINC000501768961 448097584 /nfs/dbraw/zinc/09/75/84/448097584.db2.gz FZPUZFPTSQCTQE-UGUYLWEFSA-N 2 1 326.485 1.076 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2C[NH+](C(C)C)C[C@H]2C)[N@@H+](C)C1 ZINC000501768961 448097591 /nfs/dbraw/zinc/09/75/91/448097591.db2.gz FZPUZFPTSQCTQE-UGUYLWEFSA-N 2 1 326.485 1.076 20 0 EDADMP O=C(NCC1CC[NH2+]CC1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000576725682 448127126 /nfs/dbraw/zinc/12/71/26/448127126.db2.gz IJAKEPPKXNTXSM-UHFFFAOYSA-N 2 1 346.475 1.682 20 0 EDADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000576731533 448129412 /nfs/dbraw/zinc/12/94/12/448129412.db2.gz GNPOLXDKGZAVLJ-OIISXLGYSA-N 2 1 348.495 1.411 20 0 EDADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000576731533 448129417 /nfs/dbraw/zinc/12/94/17/448129417.db2.gz GNPOLXDKGZAVLJ-OIISXLGYSA-N 2 1 348.495 1.411 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)Nc3cccnc3)C2)CC1 ZINC000576763285 448133937 /nfs/dbraw/zinc/13/39/37/448133937.db2.gz HPVMEHVCFRVHSQ-GOSISDBHSA-N 2 1 345.491 1.511 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000571303908 448134153 /nfs/dbraw/zinc/13/41/53/448134153.db2.gz HFWRDONXTVGJAP-BPQIPLTHSA-N 2 1 330.476 1.948 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\C1CCOCC1 ZINC000491882835 448143619 /nfs/dbraw/zinc/14/36/19/448143619.db2.gz KOQFVRMUHRKREN-JTHGQSKGSA-N 2 1 337.508 1.844 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC000571580495 448175565 /nfs/dbraw/zinc/17/55/65/448175565.db2.gz XVYHFMMWTMFLMX-NVXWUHKLSA-N 2 1 335.496 1.463 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000571580495 448175571 /nfs/dbraw/zinc/17/55/71/448175571.db2.gz XVYHFMMWTMFLMX-NVXWUHKLSA-N 2 1 335.496 1.463 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000571580495 448175577 /nfs/dbraw/zinc/17/55/77/448175577.db2.gz XVYHFMMWTMFLMX-NVXWUHKLSA-N 2 1 335.496 1.463 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000531964782 448176255 /nfs/dbraw/zinc/17/62/55/448176255.db2.gz IXMMEMKPGHVTLV-LYMQGIMYSA-N 2 1 344.459 1.560 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)Nc2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000557044405 448177613 /nfs/dbraw/zinc/17/76/13/448177613.db2.gz QKHLGHLFNMQJJQ-GASCZTMLSA-N 2 1 346.475 1.953 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000532089181 448199672 /nfs/dbraw/zinc/19/96/72/448199672.db2.gz ZDOUJOLWTGDBIV-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000514912059 448222022 /nfs/dbraw/zinc/22/20/22/448222022.db2.gz HBGSSRZBPQBFHA-FDCRZUCXSA-N 2 1 333.476 1.487 20 0 EDADMP C[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000514912059 448222027 /nfs/dbraw/zinc/22/20/27/448222027.db2.gz HBGSSRZBPQBFHA-FDCRZUCXSA-N 2 1 333.476 1.487 20 0 EDADMP C[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000514912059 448222034 /nfs/dbraw/zinc/22/20/34/448222034.db2.gz HBGSSRZBPQBFHA-FDCRZUCXSA-N 2 1 333.476 1.487 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000582476982 448248837 /nfs/dbraw/zinc/24/88/37/448248837.db2.gz PEMBBYAZUAYQEV-UGSOOPFHSA-N 2 1 349.500 1.785 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCNC(=O)NC(C)C)[C@H](C)C1 ZINC000515056820 448250896 /nfs/dbraw/zinc/25/08/96/448250896.db2.gz KJXUCARNSFNVHO-CVEARBPZSA-N 2 1 328.501 1.421 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000577306264 448262843 /nfs/dbraw/zinc/26/28/43/448262843.db2.gz WCOYKUPPOSKANR-SFHVURJKSA-N 2 1 338.540 1.103 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](CNC2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000577306264 448262849 /nfs/dbraw/zinc/26/28/49/448262849.db2.gz WCOYKUPPOSKANR-SFHVURJKSA-N 2 1 338.540 1.103 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000577306264 448262854 /nfs/dbraw/zinc/26/28/54/448262854.db2.gz WCOYKUPPOSKANR-SFHVURJKSA-N 2 1 338.540 1.103 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@@H](OC)C3)CC2)CC1 ZINC000572176508 448307245 /nfs/dbraw/zinc/30/72/45/448307245.db2.gz CEFDRTIOEHFZMP-SJLPKXTDSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000582723495 448321959 /nfs/dbraw/zinc/32/19/59/448321959.db2.gz HJFOIDBVRTVSSS-WBVHZDCISA-N 2 1 333.480 1.612 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC000577603430 448339028 /nfs/dbraw/zinc/33/90/28/448339028.db2.gz CLTULZXYAHRZSW-OALUTQOASA-N 2 1 348.487 1.655 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000577831573 448396244 /nfs/dbraw/zinc/39/62/44/448396244.db2.gz CMVDDJMOAAPMOP-NUJGCVRESA-N 2 1 330.476 1.806 20 0 EDADMP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572498793 448396287 /nfs/dbraw/zinc/39/62/87/448396287.db2.gz NPPMLSFHFPKBRX-CEXWTWQISA-N 2 1 342.487 1.948 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000572498270 448396319 /nfs/dbraw/zinc/39/63/19/448396319.db2.gz NIYHLKCWYSOAJD-WMZOPIPTSA-N 2 1 345.491 1.858 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000572596065 448416572 /nfs/dbraw/zinc/41/65/72/448416572.db2.gz FNQATNRBFSRNSN-MAUKXSAKSA-N 2 1 334.460 1.813 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516488883 448428232 /nfs/dbraw/zinc/42/82/32/448428232.db2.gz OHRXLQQMXGBCQB-RBUKOAKNSA-N 2 1 345.487 1.424 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516488883 448428236 /nfs/dbraw/zinc/42/82/36/448428236.db2.gz OHRXLQQMXGBCQB-RBUKOAKNSA-N 2 1 345.487 1.424 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1)c1ccccc1 ZINC000572647608 448432154 /nfs/dbraw/zinc/43/21/54/448432154.db2.gz UCPAGDTZSLLMNF-FGTMMUONSA-N 2 1 349.475 1.189 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000572845370 448478825 /nfs/dbraw/zinc/47/88/25/448478825.db2.gz PLUDNGCUJPOSBI-HDICACEKSA-N 2 1 330.476 1.178 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)NCC3([NH3+])CCC3)CC2)cn1 ZINC000516916803 448495671 /nfs/dbraw/zinc/49/56/71/448495671.db2.gz URGXFKHNDLAXDN-UHFFFAOYSA-N 2 1 348.495 1.392 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)NCC3([NH3+])CCC3)CC2)cn1 ZINC000516916803 448495676 /nfs/dbraw/zinc/49/56/76/448495676.db2.gz URGXFKHNDLAXDN-UHFFFAOYSA-N 2 1 348.495 1.392 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000516973653 448512853 /nfs/dbraw/zinc/51/28/53/448512853.db2.gz WLBHIEAKCALRCK-GUDVDZBRSA-N 2 1 345.487 1.734 20 0 EDADMP [NH3+]Cc1nc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)no1 ZINC000584411325 448518189 /nfs/dbraw/zinc/51/81/89/448518189.db2.gz WMAONKLVJGLQSH-JKSUJKDBSA-N 2 1 329.448 1.700 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000566617581 448520456 /nfs/dbraw/zinc/52/04/56/448520456.db2.gz RKMDRMLSCRBJFZ-KKUMJFAQSA-N 2 1 336.505 1.151 20 0 EDADMP [NH3+]CCc1ccccc1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000566627426 448524375 /nfs/dbraw/zinc/52/43/75/448524375.db2.gz VADKGOWNGSALJC-UHFFFAOYSA-N 2 1 330.476 1.134 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000517232336 448557462 /nfs/dbraw/zinc/55/74/62/448557462.db2.gz NLAXTZUEWJSCSJ-GJZGRUSLSA-N 2 1 338.521 1.526 20 0 EDADMP CCC[N@@H+](C)CC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000517370079 448576043 /nfs/dbraw/zinc/57/60/43/448576043.db2.gz GNRJXDNPMNEZKO-SFHVURJKSA-N 2 1 332.492 1.433 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CCNC(=O)c1ccc(Cl)cc1)C1CC1 ZINC000517128082 448541843 /nfs/dbraw/zinc/54/18/43/448541843.db2.gz WMZYZYXDTUFDII-OAHLLOKOSA-N 2 1 325.840 1.115 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CCNC(=O)c1ccc(Cl)cc1)C1CC1 ZINC000517128082 448541844 /nfs/dbraw/zinc/54/18/44/448541844.db2.gz WMZYZYXDTUFDII-OAHLLOKOSA-N 2 1 325.840 1.115 20 0 EDADMP Cc1nc(NC[C@H]2CCC[N@H+](C)C2)cc(NC[C@@H]2CCC[NH+](C)C2)[nH+]1 ZINC000536987871 448548380 /nfs/dbraw/zinc/54/83/80/448548380.db2.gz OVJVILWESPPLJM-CALCHBBNSA-N 3 1 346.523 2.292 20 0 EDADMP Cc1nc(NC[C@H]2CCC[NH+](C)C2)cc(NC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000536987871 448548385 /nfs/dbraw/zinc/54/83/85/448548385.db2.gz OVJVILWESPPLJM-CALCHBBNSA-N 3 1 346.523 2.292 20 0 EDADMP Cc1nc(NC[C@H]2CCC[NH+](C)C2)cc(NC[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000536987871 448548389 /nfs/dbraw/zinc/54/83/89/448548389.db2.gz OVJVILWESPPLJM-CALCHBBNSA-N 3 1 346.523 2.292 20 0 EDADMP Cc1nc(NC[C@@H]2CCC[N@@H+](C)C2)cc(NC[C@H]2CCC[NH+](C)C2)[nH+]1 ZINC000536987871 448548396 /nfs/dbraw/zinc/54/83/96/448548396.db2.gz OVJVILWESPPLJM-CALCHBBNSA-N 3 1 346.523 2.292 20 0 EDADMP Cc1nc(NC[C@@H]2CCC[N@H+](C)C2)cc(NC[C@H]2CCC[NH+](C)C2)[nH+]1 ZINC000536987871 448548401 /nfs/dbraw/zinc/54/84/01/448548401.db2.gz OVJVILWESPPLJM-CALCHBBNSA-N 3 1 346.523 2.292 20 0 EDADMP Cc1nc(NC[C@@H]2CCC[NH+](C)C2)cc(NC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000536987871 448548406 /nfs/dbraw/zinc/54/84/06/448548406.db2.gz OVJVILWESPPLJM-CALCHBBNSA-N 3 1 346.523 2.292 20 0 EDADMP Cc1nc(NC[C@@H]2CCC[NH+](C)C2)cc(NC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000536987871 448548412 /nfs/dbraw/zinc/54/84/12/448548412.db2.gz OVJVILWESPPLJM-CALCHBBNSA-N 3 1 346.523 2.292 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000573407132 448618556 /nfs/dbraw/zinc/61/85/56/448618556.db2.gz FPMPPNCDLODPAA-SJLPKXTDSA-N 2 1 337.508 1.747 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCC[NH+](C)C2)CCCO1 ZINC000573278510 448586544 /nfs/dbraw/zinc/58/65/44/448586544.db2.gz AZFQSRYLTIQGMQ-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC000573278510 448586549 /nfs/dbraw/zinc/58/65/49/448586549.db2.gz AZFQSRYLTIQGMQ-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000573278510 448586554 /nfs/dbraw/zinc/58/65/54/448586554.db2.gz AZFQSRYLTIQGMQ-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000566981179 448596783 /nfs/dbraw/zinc/59/67/83/448596783.db2.gz ZYWNRHHXUSVSAG-LSDHHAIUSA-N 2 1 326.485 1.175 20 0 EDADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000573318331 448596800 /nfs/dbraw/zinc/59/68/00/448596800.db2.gz WDENHQKRJPXPKP-GOSISDBHSA-N 2 1 349.519 1.659 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)[C@H](CO)C3)CC2)CC1 ZINC000578641903 448602625 /nfs/dbraw/zinc/60/26/25/448602625.db2.gz OMZHWCJSXUBENA-WBVHZDCISA-N 2 1 337.508 1.270 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ncn(C)n1 ZINC000578942916 448673048 /nfs/dbraw/zinc/67/30/48/448673048.db2.gz SFQCMFKEOJYNEY-UHFFFAOYSA-N 2 1 348.495 1.083 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000517900587 448627784 /nfs/dbraw/zinc/62/77/84/448627784.db2.gz BBLQQVZQYBGDAG-GOSISDBHSA-N 2 1 332.492 1.943 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000517900587 448627786 /nfs/dbraw/zinc/62/77/86/448627786.db2.gz BBLQQVZQYBGDAG-GOSISDBHSA-N 2 1 332.492 1.943 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000518393633 448673991 /nfs/dbraw/zinc/67/39/91/448673991.db2.gz GVCDWKAPYRRILQ-UHFFFAOYSA-N 2 1 333.476 1.585 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1)[C@H]1CCC[NH2+]1 ZINC000579008526 448694009 /nfs/dbraw/zinc/69/40/09/448694009.db2.gz ZHXYRQQQPJDBFZ-UKRRQHHQSA-N 2 1 332.448 1.632 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1)[C@H]1CCC[NH2+]1 ZINC000579008526 448694012 /nfs/dbraw/zinc/69/40/12/448694012.db2.gz ZHXYRQQQPJDBFZ-UKRRQHHQSA-N 2 1 332.448 1.632 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@H]1C[C@H](OC)C[NH2+]1)c1ccccc1 ZINC000567592261 448719271 /nfs/dbraw/zinc/71/92/71/448719271.db2.gz UCPAGDTZSLLMNF-RCCFBDPRSA-N 2 1 349.475 1.189 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000519120144 448742915 /nfs/dbraw/zinc/74/29/15/448742915.db2.gz SXVTXGADQWMNPN-RYRKJORJSA-N 2 1 330.476 1.948 20 0 EDADMP COCC[NH2+]C1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000568051361 448807572 /nfs/dbraw/zinc/80/75/72/448807572.db2.gz GDWCCGIEPAGVMW-UHFFFAOYSA-N 2 1 348.447 1.425 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ncn(C(C)(C)C)n2)CC1 ZINC000519498114 448772738 /nfs/dbraw/zinc/77/27/38/448772738.db2.gz XQCQZXGRLSXPKW-UHFFFAOYSA-N 2 1 343.435 1.432 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000545238386 448779664 /nfs/dbraw/zinc/77/96/64/448779664.db2.gz GEXCAOXIAITVMG-MSOLQXFVSA-N 2 1 331.460 1.211 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000545238386 448779672 /nfs/dbraw/zinc/77/96/72/448779672.db2.gz GEXCAOXIAITVMG-MSOLQXFVSA-N 2 1 331.460 1.211 20 0 EDADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000579453383 448795481 /nfs/dbraw/zinc/79/54/81/448795481.db2.gz IAENLZRENPLRAE-DLBZAZTESA-N 2 1 348.516 1.655 20 0 EDADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000579453383 448795486 /nfs/dbraw/zinc/79/54/86/448795486.db2.gz IAENLZRENPLRAE-DLBZAZTESA-N 2 1 348.516 1.655 20 0 EDADMP C[C@H](CCNC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCCC1 ZINC000574195366 448814618 /nfs/dbraw/zinc/81/46/18/448814618.db2.gz UZJXUWCBJBWPRX-BRSBDYLESA-N 2 1 327.513 1.311 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)NCC(C)(C)[NH3+])c2cccs2)CC1 ZINC000574297122 448839777 /nfs/dbraw/zinc/83/97/77/448839777.db2.gz FOUYQCCQEJMPDB-ZDUSSCGKSA-N 2 1 339.509 1.073 20 0 EDADMP [NH3+][C@H]1CCc2ncc(NC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)cc2C1 ZINC000568271021 448847890 /nfs/dbraw/zinc/84/78/90/448847890.db2.gz PGSWFJSEMKZWDN-KSSFIOAISA-N 2 1 344.459 1.480 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000574336900 448848197 /nfs/dbraw/zinc/84/81/97/448848197.db2.gz LTWHAKQKNPBHLE-HNNXBMFYSA-N 2 1 335.496 1.685 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccc(-c4ccccc4F)o3)CCN2C1=O ZINC000579732844 448868243 /nfs/dbraw/zinc/86/82/43/448868243.db2.gz DSKDZMMAWFLFPF-LRDDRELGSA-N 2 1 329.375 1.830 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4F)o3)CCN2C1=O ZINC000579732844 448868247 /nfs/dbraw/zinc/86/82/47/448868247.db2.gz DSKDZMMAWFLFPF-LRDDRELGSA-N 2 1 329.375 1.830 20 0 EDADMP C[C@H](CC(=O)NCc1ccnc(N2CCN(C)CC2)c1)n1ccnc1 ZINC000520236034 448876202 /nfs/dbraw/zinc/87/62/02/448876202.db2.gz KAFIBODXIFGDGD-OAHLLOKOSA-N 2 1 342.447 1.297 20 0 EDADMP CC(C)(CNC(=O)NC[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000579814595 448882631 /nfs/dbraw/zinc/88/26/31/448882631.db2.gz WTPHHKQNGMQRMS-KRWDZBQOSA-N 2 1 346.475 1.111 20 0 EDADMP O=C1CNC(=O)N1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568509916 448882733 /nfs/dbraw/zinc/88/27/33/448882733.db2.gz HDMBPJSOOKEYFB-MRXNPFEDSA-N 2 1 342.443 1.325 20 0 EDADMP O=C1CNC(=O)N1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568509916 448882736 /nfs/dbraw/zinc/88/27/36/448882736.db2.gz HDMBPJSOOKEYFB-MRXNPFEDSA-N 2 1 342.443 1.325 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC000579928378 448911337 /nfs/dbraw/zinc/91/13/37/448911337.db2.gz JGZMPIVAZFFGFT-STQMWFEESA-N 2 1 337.386 1.227 20 0 EDADMP COCCC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000529637284 448912917 /nfs/dbraw/zinc/91/29/17/448912917.db2.gz BBPMQMOICXCBQS-UHFFFAOYSA-N 2 1 333.480 1.477 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000520393228 448891192 /nfs/dbraw/zinc/89/11/92/448891192.db2.gz XGNZDBDLSYCIOI-LEAZDLGRSA-N 3 1 347.503 1.619 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000520393228 448891199 /nfs/dbraw/zinc/89/11/99/448891199.db2.gz XGNZDBDLSYCIOI-LEAZDLGRSA-N 3 1 347.503 1.619 20 0 EDADMP C[C@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+](C2CCC2)C1 ZINC000581406988 448974107 /nfs/dbraw/zinc/97/41/07/448974107.db2.gz NBPDETIWMBLZME-OAHLLOKOSA-N 2 1 348.495 1.783 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592957876 449079784 /nfs/dbraw/zinc/07/97/84/449079784.db2.gz RBHYUKXRWOVUHS-INIZCTEOSA-N 2 1 347.507 1.912 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)CC[NH2+]C3CC3)c2)CC1 ZINC000569624732 449060216 /nfs/dbraw/zinc/06/02/16/449060216.db2.gz XMZPEEGMXBQHBE-UHFFFAOYSA-N 2 1 344.459 1.084 20 0 EDADMP COC(=O)c1coc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000597942996 449152700 /nfs/dbraw/zinc/15/27/00/449152700.db2.gz SEUZBIOGQDLCSD-LBPRGKRZSA-N 2 1 325.409 1.068 20 0 EDADMP COC(=O)c1coc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000597942996 449152703 /nfs/dbraw/zinc/15/27/03/449152703.db2.gz SEUZBIOGQDLCSD-LBPRGKRZSA-N 2 1 325.409 1.068 20 0 EDADMP COC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000597943354 449153456 /nfs/dbraw/zinc/15/34/56/449153456.db2.gz YZDSTXUBVWOHQE-JYJNAYRXSA-N 2 1 341.496 1.354 20 0 EDADMP COC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000597943354 449153459 /nfs/dbraw/zinc/15/34/59/449153459.db2.gz YZDSTXUBVWOHQE-JYJNAYRXSA-N 2 1 341.496 1.354 20 0 EDADMP COC(=O)[C@H]1C[C@@H]([NH+](C)C/C=C\C[N@H+](C)[C@H]2C[C@@H](C(=O)OC)C2)C1 ZINC000595851066 449206422 /nfs/dbraw/zinc/20/64/22/449206422.db2.gz UQSPQLKYEIAWLS-RNDSNWHESA-N 2 1 338.448 1.309 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[NH+]4CCC[C@@H]4C3)CC2)C1 ZINC000604640300 449267049 /nfs/dbraw/zinc/26/70/49/449267049.db2.gz YATBNVWJMOYRMC-KSZLIROESA-N 2 1 349.523 1.035 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000604640300 449267053 /nfs/dbraw/zinc/26/70/53/449267053.db2.gz YATBNVWJMOYRMC-KSZLIROESA-N 2 1 349.523 1.035 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000604640300 449267056 /nfs/dbraw/zinc/26/70/56/449267056.db2.gz YATBNVWJMOYRMC-KSZLIROESA-N 2 1 349.523 1.035 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C(=O)OC)n2C)CC1 ZINC000602007017 449271948 /nfs/dbraw/zinc/27/19/48/449271948.db2.gz UTFDGPUOECPVFW-UHFFFAOYSA-N 2 1 336.480 1.319 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786199 449295305 /nfs/dbraw/zinc/29/53/05/449295305.db2.gz HGVRHYGRVZDDQG-INIZCTEOSA-N 2 1 327.513 1.970 20 0 EDADMP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NC[C@H]3CCC[N@@H+](CC4CC4)C3)c21 ZINC000595991758 449300464 /nfs/dbraw/zinc/30/04/64/449300464.db2.gz JYTYSPPTPVLTSY-CVEARBPZSA-N 2 1 345.491 1.571 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000590819034 449307540 /nfs/dbraw/zinc/30/75/40/449307540.db2.gz UYGGILLXODPTOC-QZTJIDSGSA-N 2 1 328.497 1.595 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)ccn2)CC1 ZINC000617014924 449430337 /nfs/dbraw/zinc/43/03/37/449430337.db2.gz QXMAVSNSRCMARG-INIZCTEOSA-N 2 1 345.491 1.436 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000614336601 449565912 /nfs/dbraw/zinc/56/59/12/449565912.db2.gz ZJPRSDJLBIZYCF-KRWDZBQOSA-N 2 1 337.508 1.964 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)C1 ZINC000602466241 449612329 /nfs/dbraw/zinc/61/23/29/449612329.db2.gz BHMWGEYGBJHYLT-NPMXOYFQSA-N 2 1 343.537 1.115 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)C1 ZINC000602469275 449616106 /nfs/dbraw/zinc/61/61/06/449616106.db2.gz PWHWXRUIDZGUHJ-FATZIPQQSA-N 2 1 343.537 1.114 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1 ZINC000617505904 449653611 /nfs/dbraw/zinc/65/36/11/449653611.db2.gz UYUNVQRNNPGHCM-ZWOKBUDYSA-N 2 1 349.519 1.929 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1 ZINC000617505904 449653618 /nfs/dbraw/zinc/65/36/18/449653618.db2.gz UYUNVQRNNPGHCM-ZWOKBUDYSA-N 2 1 349.519 1.929 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000612331495 449646940 /nfs/dbraw/zinc/64/69/40/449646940.db2.gz IXGOXTKKIFYOPP-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cn[nH]c3)c2)C1 ZINC000594786707 449696554 /nfs/dbraw/zinc/69/65/54/449696554.db2.gz SGAGAIZPSFGWES-QGZVFWFLSA-N 2 1 327.432 1.397 20 0 EDADMP COC(=O)CC1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000599026205 449703878 /nfs/dbraw/zinc/70/38/78/449703878.db2.gz CUPJUTVLYKFBRV-OFLPRAFFSA-N 2 1 326.481 1.935 20 0 EDADMP CCOC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)[nH]1 ZINC000602654365 449732005 /nfs/dbraw/zinc/73/20/05/449732005.db2.gz ANBXQZSASOHSPA-UHFFFAOYSA-N 2 1 348.491 1.651 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@H]1CCC[NH+]1C1CC1 ZINC000617703196 449748608 /nfs/dbraw/zinc/74/86/08/449748608.db2.gz DGPKPUHOQMSNAJ-RTBURBONSA-N 2 1 343.471 1.496 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000617703196 449748614 /nfs/dbraw/zinc/74/86/14/449748614.db2.gz DGPKPUHOQMSNAJ-RTBURBONSA-N 2 1 343.471 1.496 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000617703196 449748622 /nfs/dbraw/zinc/74/86/22/449748622.db2.gz DGPKPUHOQMSNAJ-RTBURBONSA-N 2 1 343.471 1.496 20 0 EDADMP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000594926610 449810370 /nfs/dbraw/zinc/81/03/70/449810370.db2.gz UKJCHWSOCNKWCH-AYOQOUSVSA-N 2 1 345.487 1.721 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000617765906 449827248 /nfs/dbraw/zinc/82/72/48/449827248.db2.gz VOWQDMAIAMFFJC-KRWDZBQOSA-N 2 1 338.540 1.641 20 0 EDADMP CCOC(=O)c1ncc(C[NH+]2CCC(OCCC[NH3+])CC2)s1 ZINC000601323080 449830483 /nfs/dbraw/zinc/83/04/83/449830483.db2.gz KSIFVGUNUZCMPF-UHFFFAOYSA-N 2 1 327.450 1.650 20 0 EDADMP C[NH+]1CCC2(CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)C2)CC1 ZINC000614959711 449895056 /nfs/dbraw/zinc/89/50/56/449895056.db2.gz SPKGFAAOOHAXOZ-UHFFFAOYSA-N 2 1 332.448 1.828 20 0 EDADMP C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000612882981 449925047 /nfs/dbraw/zinc/92/50/47/449925047.db2.gz MHDJFGPMKMKSNT-VDZJLULYSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000612882981 449925053 /nfs/dbraw/zinc/92/50/53/449925053.db2.gz MHDJFGPMKMKSNT-VDZJLULYSA-N 2 1 346.475 1.327 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612962339 449958677 /nfs/dbraw/zinc/95/86/77/449958677.db2.gz GOTGAHBOZVLZTF-KRWDZBQOSA-N 2 1 328.460 1.486 20 0 EDADMP O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC(C[NH+]2CCOCC2)C1 ZINC000615140123 449974974 /nfs/dbraw/zinc/97/49/74/449974974.db2.gz UMHCVVFTHNIPOW-LJQANCHMSA-N 2 1 343.471 1.299 20 0 EDADMP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC(C[NH+]2CCOCC2)C1 ZINC000615140123 449974984 /nfs/dbraw/zinc/97/49/84/449974984.db2.gz UMHCVVFTHNIPOW-LJQANCHMSA-N 2 1 343.471 1.299 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601476981 450000287 /nfs/dbraw/zinc/00/02/87/450000287.db2.gz NKEDHMWMDNPQJA-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000601476981 450000294 /nfs/dbraw/zinc/00/02/94/450000294.db2.gz NKEDHMWMDNPQJA-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000601476981 450000301 /nfs/dbraw/zinc/00/03/01/450000301.db2.gz NKEDHMWMDNPQJA-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601476981 450000306 /nfs/dbraw/zinc/00/03/06/450000306.db2.gz NKEDHMWMDNPQJA-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601476981 450000311 /nfs/dbraw/zinc/00/03/11/450000311.db2.gz NKEDHMWMDNPQJA-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)cn1 ZINC000615268171 450030779 /nfs/dbraw/zinc/03/07/79/450030779.db2.gz UHYDVNYLWHNZJZ-IRXDYDNUSA-N 2 1 332.448 1.078 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)CC1 ZINC000613211574 450082360 /nfs/dbraw/zinc/08/23/60/450082360.db2.gz WRHOONFQJFQDTO-MRXNPFEDSA-N 2 1 345.491 1.565 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)CC1 ZINC000613211574 450082369 /nfs/dbraw/zinc/08/23/69/450082369.db2.gz WRHOONFQJFQDTO-MRXNPFEDSA-N 2 1 345.491 1.565 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)CN(C)C2CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599584758 450086211 /nfs/dbraw/zinc/08/62/11/450086211.db2.gz WRLPIMDRDUMZIW-KBMXLJTQSA-N 2 1 326.481 1.741 20 0 EDADMP C[NH+](C)CC1CN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000615505939 450118543 /nfs/dbraw/zinc/11/85/43/450118543.db2.gz MSLFEDDQZXKDBD-IBGZPJMESA-N 2 1 329.488 1.961 20 0 EDADMP CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250430 450164857 /nfs/dbraw/zinc/16/48/57/450164857.db2.gz JNEMWJXIGZPSCK-IRXDYDNUSA-N 2 1 325.497 1.819 20 0 EDADMP CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250430 450164862 /nfs/dbraw/zinc/16/48/62/450164862.db2.gz JNEMWJXIGZPSCK-IRXDYDNUSA-N 2 1 325.497 1.819 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000619898140 450363734 /nfs/dbraw/zinc/36/37/34/450363734.db2.gz DWKQKTIYZJJUPW-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000619898140 450363741 /nfs/dbraw/zinc/36/37/41/450363741.db2.gz DWKQKTIYZJJUPW-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000619898140 450363748 /nfs/dbraw/zinc/36/37/48/450363748.db2.gz DWKQKTIYZJJUPW-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000619898140 450363753 /nfs/dbraw/zinc/36/37/53/450363753.db2.gz DWKQKTIYZJJUPW-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNCc1cccc2c1OCCCO2 ZINC000623618054 450552356 /nfs/dbraw/zinc/55/23/56/450552356.db2.gz AVNQLLWWYCFIKC-HNNXBMFYSA-N 2 1 333.432 1.277 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNCc1cccc2c1OCCCO2 ZINC000623618054 450552357 /nfs/dbraw/zinc/55/23/57/450552357.db2.gz AVNQLLWWYCFIKC-HNNXBMFYSA-N 2 1 333.432 1.277 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC3CC3)C1)C2 ZINC000621110930 450583450 /nfs/dbraw/zinc/58/34/50/450583450.db2.gz YRZSKPHXYNHNIV-DLBZAZTESA-N 2 1 330.476 1.992 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000621110930 450583453 /nfs/dbraw/zinc/58/34/53/450583453.db2.gz YRZSKPHXYNHNIV-DLBZAZTESA-N 2 1 330.476 1.992 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[NH2+]1 ZINC000621151832 450599962 /nfs/dbraw/zinc/59/99/62/450599962.db2.gz JITQKOGRVGWTAT-ZWKOTPCHSA-N 2 1 330.476 1.750 20 0 EDADMP CCC1([NH+](C)C)CCN(C(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000633031350 450626677 /nfs/dbraw/zinc/62/66/77/450626677.db2.gz KAFMLIBAGANDPV-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000633041279 450639291 /nfs/dbraw/zinc/63/92/91/450639291.db2.gz VJNMHJQEAFBQCW-JQWIXIFHSA-N 2 1 338.839 1.288 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1CO ZINC000621372346 450706063 /nfs/dbraw/zinc/70/60/63/450706063.db2.gz UEVZGKXULOTLGU-NXHRZFHOSA-N 2 1 333.476 1.356 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)[C@@H]2CCC[C@@H]21 ZINC000624116970 450712300 /nfs/dbraw/zinc/71/23/00/450712300.db2.gz CNWKGAIERSXXSP-UGUYLWEFSA-N 2 1 341.463 1.165 20 0 EDADMP C[N@@H+](CCOCC[NH3+])[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000629578935 450745494 /nfs/dbraw/zinc/74/54/94/450745494.db2.gz XYQNUSBGZUMSLM-MRXNPFEDSA-N 2 1 341.402 1.363 20 0 EDADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC[N@H+]3CC[C@@H](O)C3)ccc21 ZINC000626579612 450809715 /nfs/dbraw/zinc/80/97/15/450809715.db2.gz CZMGKJCDEOFOLL-WBVHZDCISA-N 2 1 332.448 1.424 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccn1 ZINC000621776281 450863964 /nfs/dbraw/zinc/86/39/64/450863964.db2.gz HYJFGUVLEQVBTJ-DLBZAZTESA-N 2 1 329.448 1.110 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccn1 ZINC000621776281 450863967 /nfs/dbraw/zinc/86/39/67/450863967.db2.gz HYJFGUVLEQVBTJ-DLBZAZTESA-N 2 1 329.448 1.110 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc4[nH]c5c(c4c3)C[N@H+](C)CC5)C[C@H]21 ZINC000627656170 450871006 /nfs/dbraw/zinc/87/10/06/450871006.db2.gz WGNHOGIBVYMLKT-MNZLEMJZSA-N 2 1 338.455 1.788 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc4[nH]c5c(c4c3)C[N@@H+](C)CC5)C[C@H]21 ZINC000627656170 450871009 /nfs/dbraw/zinc/87/10/09/450871009.db2.gz WGNHOGIBVYMLKT-MNZLEMJZSA-N 2 1 338.455 1.788 20 0 EDADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000629964590 450922851 /nfs/dbraw/zinc/92/28/51/450922851.db2.gz KARPSRLIQHAZRD-UHFFFAOYSA-N 2 1 345.447 1.348 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cn2cc[nH+]c12 ZINC000627826012 450959197 /nfs/dbraw/zinc/95/91/97/450959197.db2.gz MBQQXTUTZYIAHK-AWEZNQCLSA-N 2 1 343.431 1.429 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cn2cc[nH+]c12 ZINC000627826012 450959202 /nfs/dbraw/zinc/95/92/02/450959202.db2.gz MBQQXTUTZYIAHK-AWEZNQCLSA-N 2 1 343.431 1.429 20 0 EDADMP CCOc1cc2[nH+]ccc(NCC[N@H+]3CC[C@H](O)C3)c2cc1OCC ZINC000624774544 450991363 /nfs/dbraw/zinc/99/13/63/450991363.db2.gz QXMUSBYWVOJOGQ-AWEZNQCLSA-N 2 1 345.443 1.933 20 0 EDADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635505020 450999296 /nfs/dbraw/zinc/99/92/96/450999296.db2.gz GOQSYISYABSLCZ-QGZVFWFLSA-N 2 1 335.492 1.765 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC[N@@H+]1CCc3sccc3C1)C2 ZINC000626946710 451025328 /nfs/dbraw/zinc/02/53/28/451025328.db2.gz XLOHEPVHSJDIAZ-HDICACEKSA-N 2 1 348.516 1.747 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC[N@H+]1CCc3sccc3C1)C2 ZINC000626946710 451025330 /nfs/dbraw/zinc/02/53/30/451025330.db2.gz XLOHEPVHSJDIAZ-HDICACEKSA-N 2 1 348.516 1.747 20 0 EDADMP COCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC000635530693 451025764 /nfs/dbraw/zinc/02/57/64/451025764.db2.gz JGAWLEHUILJBOJ-SFHVURJKSA-N 2 1 333.476 1.388 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC000635530693 451025772 /nfs/dbraw/zinc/02/57/72/451025772.db2.gz JGAWLEHUILJBOJ-SFHVURJKSA-N 2 1 333.476 1.388 20 0 EDADMP COCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC000635530693 451025777 /nfs/dbraw/zinc/02/57/77/451025777.db2.gz JGAWLEHUILJBOJ-SFHVURJKSA-N 2 1 333.476 1.388 20 0 EDADMP COCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC000635530693 451025785 /nfs/dbraw/zinc/02/57/85/451025785.db2.gz JGAWLEHUILJBOJ-SFHVURJKSA-N 2 1 333.476 1.388 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000626947527 451026321 /nfs/dbraw/zinc/02/63/21/451026321.db2.gz UTFFTLZJUOSRQC-IYBDPMFKSA-N 2 1 342.528 1.620 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626966468 451038978 /nfs/dbraw/zinc/03/89/78/451038978.db2.gz VRAUJANPDQDGDJ-NVXWUHKLSA-N 2 1 340.512 1.517 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000626994795 451061058 /nfs/dbraw/zinc/06/10/58/451061058.db2.gz KBGDJJOUOQKAOX-AEFFLSMTSA-N 2 1 348.491 1.575 20 0 EDADMP C[C@@H](NC(=O)NCC1([NH3+])CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627011875 451075539 /nfs/dbraw/zinc/07/55/39/451075539.db2.gz LWLTXRCISBVXJD-HUUCEWRRSA-N 2 1 338.496 1.447 20 0 EDADMP C[C@@H](NC(=O)NCCOCCC[NH3+])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627012380 451077352 /nfs/dbraw/zinc/07/73/52/451077352.db2.gz ZBGAFJCQOGGNSD-HUUCEWRRSA-N 2 1 326.485 1.304 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000627012723 451077461 /nfs/dbraw/zinc/07/74/61/451077461.db2.gz HHMJGWJKRLZYDG-NVXWUHKLSA-N 2 1 334.464 1.124 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000627038493 451095545 /nfs/dbraw/zinc/09/55/45/451095545.db2.gz MULRKGWNJPWJQI-DOTOQJQBSA-N 2 1 340.512 1.515 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000626981239 451049688 /nfs/dbraw/zinc/04/96/88/451049688.db2.gz ZEKQZKKZRUWRRG-QKPAOTATSA-N 2 1 326.485 1.173 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000632216871 451122296 /nfs/dbraw/zinc/12/22/96/451122296.db2.gz OEYPZRATDOADKU-WBVHZDCISA-N 2 1 339.505 1.378 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000627114127 451130305 /nfs/dbraw/zinc/13/03/05/451130305.db2.gz YQEPYZAHIMVGLI-GVDBMIGSSA-N 2 1 334.439 1.665 20 0 EDADMP CN(C(=O)NCC1([NH3+])CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627152234 451150647 /nfs/dbraw/zinc/15/06/47/451150647.db2.gz UPQVECJWONWYSS-KRWDZBQOSA-N 2 1 346.475 1.410 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000627176452 451165698 /nfs/dbraw/zinc/16/56/98/451165698.db2.gz UZJTVIRJCINXEU-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000635688755 451171601 /nfs/dbraw/zinc/17/16/01/451171601.db2.gz IGRAVMMRCHFOOG-MSOLQXFVSA-N 2 1 331.460 1.006 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000635688755 451171602 /nfs/dbraw/zinc/17/16/02/451171602.db2.gz IGRAVMMRCHFOOG-MSOLQXFVSA-N 2 1 331.460 1.006 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000635688755 451171603 /nfs/dbraw/zinc/17/16/03/451171603.db2.gz IGRAVMMRCHFOOG-MSOLQXFVSA-N 2 1 331.460 1.006 20 0 EDADMP O=C(NCC[NH+]1CCC1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635724069 451199880 /nfs/dbraw/zinc/19/98/80/451199880.db2.gz JFTFRMOLHOMTHU-UYAOXDASSA-N 2 1 343.471 1.347 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@@H+]1C ZINC000630458361 451202407 /nfs/dbraw/zinc/20/24/07/451202407.db2.gz YNUDSJJJRDBJNN-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@H+]1C ZINC000630458361 451202412 /nfs/dbraw/zinc/20/24/12/451202412.db2.gz YNUDSJJJRDBJNN-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000635743491 451212873 /nfs/dbraw/zinc/21/28/73/451212873.db2.gz OWOCHVSQOZBGHK-QYZOEREBSA-N 2 1 345.487 1.327 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000635743491 451212877 /nfs/dbraw/zinc/21/28/77/451212877.db2.gz OWOCHVSQOZBGHK-QYZOEREBSA-N 2 1 345.487 1.327 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000635743491 451212881 /nfs/dbraw/zinc/21/28/81/451212881.db2.gz OWOCHVSQOZBGHK-QYZOEREBSA-N 2 1 345.487 1.327 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638110822 451278066 /nfs/dbraw/zinc/27/80/66/451278066.db2.gz IRRRSZFFHUHJRK-ICSRJNTNSA-N 2 1 345.487 1.722 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)C[C@H]1C ZINC000638120669 451289584 /nfs/dbraw/zinc/28/95/84/451289584.db2.gz BKRDFNSLOAKKHW-UWWQBHOKSA-N 2 1 333.476 1.896 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638126298 451297329 /nfs/dbraw/zinc/29/73/29/451297329.db2.gz SXNLAHIZGXUFPB-OALUTQOASA-N 2 1 346.519 1.636 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638126298 451297333 /nfs/dbraw/zinc/29/73/33/451297333.db2.gz SXNLAHIZGXUFPB-OALUTQOASA-N 2 1 346.519 1.636 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638127626 451298557 /nfs/dbraw/zinc/29/85/57/451298557.db2.gz WXTCSKWZAGMBCZ-IEBWSBKVSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000638137405 451309973 /nfs/dbraw/zinc/30/99/73/451309973.db2.gz JXOFKGYDMYCEQX-NVXWUHKLSA-N 2 1 328.460 1.361 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)C3=CC[C@H]([NH3+])C3)cc2)CC1 ZINC000638138509 451313035 /nfs/dbraw/zinc/31/30/35/451313035.db2.gz CIZROOCJJPNFTM-INIZCTEOSA-N 2 1 344.459 1.299 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638142492 451316666 /nfs/dbraw/zinc/31/66/66/451316666.db2.gz CHWNXTOEOIRNRK-QYZOEREBSA-N 2 1 344.503 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638142492 451316668 /nfs/dbraw/zinc/31/66/68/451316668.db2.gz CHWNXTOEOIRNRK-QYZOEREBSA-N 2 1 344.503 1.436 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638271273 451390791 /nfs/dbraw/zinc/39/07/91/451390791.db2.gz OAIJGOWXEORJBP-SFHVURJKSA-N 2 1 332.492 1.435 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638271273 451390795 /nfs/dbraw/zinc/39/07/95/451390795.db2.gz OAIJGOWXEORJBP-SFHVURJKSA-N 2 1 332.492 1.435 20 0 EDADMP O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635950650 451390921 /nfs/dbraw/zinc/39/09/21/451390921.db2.gz OYAKRLGAQQIUKS-ARFHVFGLSA-N 2 1 326.400 1.719 20 0 EDADMP CO[C@@]1(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CCOC1 ZINC000638285706 451403026 /nfs/dbraw/zinc/40/30/26/451403026.db2.gz JYSVOSZVVBOFAV-NVXWUHKLSA-N 2 1 339.505 1.432 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000638287955 451405317 /nfs/dbraw/zinc/40/53/17/451405317.db2.gz YEYFJOJVUBJOPM-MXSMSXNCSA-N 2 1 333.476 1.718 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)N(C)CCCn2cc[nH+]c2C)c1 ZINC000638299136 451414351 /nfs/dbraw/zinc/41/43/51/451414351.db2.gz ILXYHFJHJOKZNV-QGZVFWFLSA-N 2 1 330.432 1.619 20 0 EDADMP CO[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000638304589 451418411 /nfs/dbraw/zinc/41/84/11/451418411.db2.gz IGAVOWGFQXCBAW-MOPGFXCFSA-N 2 1 334.460 1.660 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000638307451 451420834 /nfs/dbraw/zinc/42/08/34/451420834.db2.gz FAFRJIHBRWCLIL-IEBWSBKVSA-N 2 1 327.472 1.818 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634643107 451436168 /nfs/dbraw/zinc/43/61/68/451436168.db2.gz WJBPJIBHWMIOOU-UYAOXDASSA-N 2 1 331.504 1.945 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634643107 451436171 /nfs/dbraw/zinc/43/61/71/451436171.db2.gz WJBPJIBHWMIOOU-UYAOXDASSA-N 2 1 331.504 1.945 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634643107 451436173 /nfs/dbraw/zinc/43/61/73/451436173.db2.gz WJBPJIBHWMIOOU-UYAOXDASSA-N 2 1 331.504 1.945 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000638350252 451451344 /nfs/dbraw/zinc/45/13/44/451451344.db2.gz FEDWESUFMHXIOM-MSOLQXFVSA-N 2 1 338.455 1.362 20 0 EDADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000638367941 451467049 /nfs/dbraw/zinc/46/70/49/451467049.db2.gz RKNWMTOZRJKRIW-JRBPQWBISA-N 2 1 343.471 1.486 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634699253 451471534 /nfs/dbraw/zinc/47/15/34/451471534.db2.gz HBTHKPUEDDNCDF-IRXDYDNUSA-N 2 1 328.497 1.381 20 0 EDADMP C[N@@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C(C)(C)C ZINC000640627128 451474942 /nfs/dbraw/zinc/47/49/42/451474942.db2.gz ZOSUFDPLPWHBKM-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP C[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C(C)(C)C ZINC000640627128 451474948 /nfs/dbraw/zinc/47/49/48/451474948.db2.gz ZOSUFDPLPWHBKM-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636755822 451477630 /nfs/dbraw/zinc/47/76/30/451477630.db2.gz LKTOKOJMDUIADJ-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636755822 451477635 /nfs/dbraw/zinc/47/76/35/451477635.db2.gz LKTOKOJMDUIADJ-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP O[C@]1(C[NH2+]CCCCn2ccnc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704653 451480671 /nfs/dbraw/zinc/48/06/71/451480671.db2.gz NKRNQHJGHNOUAQ-IBGZPJMESA-N 2 1 328.460 1.890 20 0 EDADMP O[C@]1(C[NH2+]CCCCn2ccnc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704653 451480675 /nfs/dbraw/zinc/48/06/75/451480675.db2.gz NKRNQHJGHNOUAQ-IBGZPJMESA-N 2 1 328.460 1.890 20 0 EDADMP CCNC(=O)C(C)(C)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634709957 451488526 /nfs/dbraw/zinc/48/85/26/451488526.db2.gz QMNNPHBGGWRIOM-IBGZPJMESA-N 2 1 333.476 1.375 20 0 EDADMP CCNC(=O)C(C)(C)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709957 451488532 /nfs/dbraw/zinc/48/85/32/451488532.db2.gz QMNNPHBGGWRIOM-IBGZPJMESA-N 2 1 333.476 1.375 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000634710997 451490163 /nfs/dbraw/zinc/49/01/63/451490163.db2.gz HSNBPNUOEDSZMY-LZLYRXPVSA-N 2 1 340.508 1.522 20 0 EDADMP CN(C)c1cc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc[nH+]1 ZINC000640597260 451442732 /nfs/dbraw/zinc/44/27/32/451442732.db2.gz AGTUMMUWVGNSAT-HNNXBMFYSA-N 2 1 335.452 1.722 20 0 EDADMP OCC1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000634720843 451501450 /nfs/dbraw/zinc/50/14/50/451501450.db2.gz PTYQXDHHLFPWMI-IBGZPJMESA-N 2 1 334.460 1.002 20 0 EDADMP OCC1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000634720843 451501453 /nfs/dbraw/zinc/50/14/53/451501453.db2.gz PTYQXDHHLFPWMI-IBGZPJMESA-N 2 1 334.460 1.002 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)CC1 ZINC000636087429 451506284 /nfs/dbraw/zinc/50/62/84/451506284.db2.gz JDOMTEWNWPMYTJ-HOTGVXAUSA-N 2 1 347.507 1.477 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C)n2C ZINC000636090911 451509414 /nfs/dbraw/zinc/50/94/14/451509414.db2.gz NEURCSSLOONNLU-KBPBESRZSA-N 2 1 344.463 1.493 20 0 EDADMP CCC(CC)[C@@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000636097787 451513777 /nfs/dbraw/zinc/51/37/77/451513777.db2.gz KUFUUYQVDGVNBT-KSZLIROESA-N 2 1 337.508 1.866 20 0 EDADMP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000636097400 451513955 /nfs/dbraw/zinc/51/39/55/451513955.db2.gz HURLPTVWJJONPL-CEXWTWQISA-N 2 1 343.471 1.630 20 0 EDADMP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000636097400 451513957 /nfs/dbraw/zinc/51/39/57/451513957.db2.gz HURLPTVWJJONPL-CEXWTWQISA-N 2 1 343.471 1.630 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCC[N@@H+](Cc3cccnc3)C1)C2 ZINC000634745362 451521975 /nfs/dbraw/zinc/52/19/75/451521975.db2.gz FHKHQQMLOMEGRG-YSIASYRMSA-N 2 1 342.487 1.752 20 0 EDADMP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000634768794 451537312 /nfs/dbraw/zinc/53/73/12/451537312.db2.gz YXKRIUTTXKSRAR-LMMKCTJWSA-N 2 1 328.460 1.552 20 0 EDADMP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(=O)N1CCCC[C@H]1C ZINC000638490565 451542015 /nfs/dbraw/zinc/54/20/15/451542015.db2.gz YQNDYMWZEDOZGB-HUUCEWRRSA-N 2 1 325.497 1.601 20 0 EDADMP CCN(CC[NH3+])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638515234 451554389 /nfs/dbraw/zinc/55/43/89/451554389.db2.gz BWIUHNAUWKDZQH-HKUYNNGSSA-N 2 1 331.460 1.332 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC000638570796 451582583 /nfs/dbraw/zinc/58/25/83/451582583.db2.gz AAHZIEROSWKFDG-QFBILLFUSA-N 2 1 329.488 1.969 20 0 EDADMP C[NH2+]CCOCCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000638574210 451585127 /nfs/dbraw/zinc/58/51/27/451585127.db2.gz ADZHGEICFZVFBY-UHFFFAOYSA-N 2 1 348.266 1.080 20 0 EDADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638589063 451592650 /nfs/dbraw/zinc/59/26/50/451592650.db2.gz QFYJKGAPSTZSFV-NSHDSACASA-N 2 1 338.253 1.923 20 0 EDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638589063 451592654 /nfs/dbraw/zinc/59/26/54/451592654.db2.gz QFYJKGAPSTZSFV-NSHDSACASA-N 2 1 338.253 1.923 20 0 EDADMP CC(C)(C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)Oc1ccccc1 ZINC000638599924 451597531 /nfs/dbraw/zinc/59/75/31/451597531.db2.gz VAJPYAUQXHJQQU-GOSISDBHSA-N 2 1 347.503 1.840 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3COCC[NH2+]3)cc2)C[C@@H](C)O1 ZINC000638620074 451614752 /nfs/dbraw/zinc/61/47/52/451614752.db2.gz YKOPNQFDBZETNO-RKVPGOIHSA-N 2 1 347.459 1.014 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)n2cc(-c3ccc(C[NH3+])cc3)nn2)CC1 ZINC000640831544 451616975 /nfs/dbraw/zinc/61/69/75/451616975.db2.gz UTYROMPOXQDLPW-AWEZNQCLSA-N 2 1 342.447 1.129 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632859493 451618465 /nfs/dbraw/zinc/61/84/65/451618465.db2.gz UJSZKYGJQNVNCV-OTWHNJEPSA-N 2 1 343.471 1.488 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632859493 451618469 /nfs/dbraw/zinc/61/84/69/451618469.db2.gz UJSZKYGJQNVNCV-OTWHNJEPSA-N 2 1 343.471 1.488 20 0 EDADMP C[C@@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)C1=CC[N@@H+](C)CC1 ZINC000637035040 451690206 /nfs/dbraw/zinc/69/02/06/451690206.db2.gz UGFIYWSBKGPBJV-CQSZACIVSA-N 2 1 346.479 1.922 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000638834920 451705630 /nfs/dbraw/zinc/70/56/30/451705630.db2.gz IFFKSRAOOKTCIX-RDJZCZTQSA-N 2 1 331.460 1.249 20 0 EDADMP Cc1nc(N)nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000631372226 451715825 /nfs/dbraw/zinc/71/58/25/451715825.db2.gz KNFOOTGDNPSVRI-INIZCTEOSA-N 2 1 338.459 1.898 20 0 EDADMP CN(C)[C@H](CNC(=O)NC[C@H]1COCCN1C)c1cccc(F)c1 ZINC000636472612 451725665 /nfs/dbraw/zinc/72/56/65/451725665.db2.gz HFAZVSYEKHCPTK-JKSUJKDBSA-N 2 1 338.427 1.058 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cn1 ZINC000631416635 451730596 /nfs/dbraw/zinc/73/05/96/451730596.db2.gz XNYDYUOSMHNQAP-UHFFFAOYSA-N 2 1 333.480 1.535 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)C[C@@H](C)O1 ZINC000638928079 451738151 /nfs/dbraw/zinc/73/81/51/451738151.db2.gz KUXQMSGKSILQSA-KNCCTNLNSA-N 2 1 329.444 1.482 20 0 EDADMP CO[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1CCOC1 ZINC000638977015 451744326 /nfs/dbraw/zinc/74/43/26/451744326.db2.gz NVSGXLFPEVYVDF-GBESFXJTSA-N 2 1 334.460 1.394 20 0 EDADMP CC[NH2+]Cc1ccn(Cc2cn(C[C@@H]3CCCC[N@H+]3C(C)C)nn2)n1 ZINC000641167798 451767580 /nfs/dbraw/zinc/76/75/80/451767580.db2.gz ZAZMICCEXWATEL-SFHVURJKSA-N 2 1 345.495 1.895 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@@H](O)CCc3ccccc3)nn2)CC1 ZINC000641217714 451785547 /nfs/dbraw/zinc/78/55/47/451785547.db2.gz KLVICKJHARTGHJ-IBGZPJMESA-N 2 1 343.475 1.237 20 0 EDADMP O[C@@]1(Cn2cc([C@H]3CCC[NH2+]C3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641230359 451791165 /nfs/dbraw/zinc/79/11/65/451791165.db2.gz PWYOUXKELWMHHP-HKUYNNGSSA-N 2 1 341.459 1.382 20 0 EDADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000639265640 451800929 /nfs/dbraw/zinc/80/09/29/451800929.db2.gz VKSBGHFOUUSLSN-GUDVDZBRSA-N 2 1 345.487 1.782 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000639265640 451800931 /nfs/dbraw/zinc/80/09/31/451800931.db2.gz VKSBGHFOUUSLSN-GUDVDZBRSA-N 2 1 345.487 1.782 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649129063 451862299 /nfs/dbraw/zinc/86/22/99/451862299.db2.gz KJGXABDAUPGGHY-HNNXBMFYSA-N 2 1 334.464 1.720 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC[C@H](O)C[NH+](C)Cc2ccccc2)CCCO1 ZINC000644632258 451907193 /nfs/dbraw/zinc/90/71/93/451907193.db2.gz HTSUYNSPAFDDHC-QUCCMNQESA-N 2 1 349.519 1.570 20 0 EDADMP C[C@@H]1C[NH+](CCCNC[C@H](O)C[N@H+](C)Cc2ccccc2)CCCO1 ZINC000644632258 451907199 /nfs/dbraw/zinc/90/71/99/451907199.db2.gz HTSUYNSPAFDDHC-QUCCMNQESA-N 2 1 349.519 1.570 20 0 EDADMP C[C@@H]1C[NH+](CCCNC[C@H](O)C[N@@H+](C)Cc2ccccc2)CCCO1 ZINC000644632258 451907204 /nfs/dbraw/zinc/90/72/04/451907204.db2.gz HTSUYNSPAFDDHC-QUCCMNQESA-N 2 1 349.519 1.570 20 0 EDADMP Cc1ncc(CNC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000639518473 451919456 /nfs/dbraw/zinc/91/94/56/451919456.db2.gz IJBPFVDMZWVCQY-GDBMZVCRSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncc(CNC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000639518473 451919462 /nfs/dbraw/zinc/91/94/62/451919462.db2.gz IJBPFVDMZWVCQY-GDBMZVCRSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncc(CNC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000639518473 451919469 /nfs/dbraw/zinc/91/94/69/451919469.db2.gz IJBPFVDMZWVCQY-GDBMZVCRSA-N 2 1 336.505 1.874 20 0 EDADMP C[N@H+]1C[C@H]2CCN(CCC[NH+]3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000644733020 451958176 /nfs/dbraw/zinc/95/81/76/451958176.db2.gz VQFPNDSYWQLLRC-UYAOXDASSA-N 2 1 328.504 1.835 20 0 EDADMP CC[C@H](CNC(=O)COC1(C)C[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000649292977 451968872 /nfs/dbraw/zinc/96/88/72/451968872.db2.gz RLZPROYAAFNRSX-QGZVFWFLSA-N 2 1 331.460 1.318 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649293983 451969682 /nfs/dbraw/zinc/96/96/82/451969682.db2.gz VUQCSNDINGHPBT-INIZCTEOSA-N 2 1 337.414 1.796 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649300364 451976307 /nfs/dbraw/zinc/97/63/07/451976307.db2.gz LFRHBNFVRMKPRU-JLZZUVOBSA-N 2 1 335.398 1.796 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CCC[NH2+]1 ZINC000649299393 451977019 /nfs/dbraw/zinc/97/70/19/451977019.db2.gz PJMLIHFMBULCIQ-SUMWQHHRSA-N 2 1 337.489 1.380 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CCC[NH2+]1 ZINC000649299393 451977023 /nfs/dbraw/zinc/97/70/23/451977023.db2.gz PJMLIHFMBULCIQ-SUMWQHHRSA-N 2 1 337.489 1.380 20 0 EDADMP CC1CC[NH+]([C@@H](CNC(=O)[C@]2(N)CC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000649303857 451979954 /nfs/dbraw/zinc/97/99/54/451979954.db2.gz MXTJYLGWECEKMJ-ICSRJNTNSA-N 2 1 344.503 1.609 20 0 EDADMP COC[C@]1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000649305116 451981707 /nfs/dbraw/zinc/98/17/07/451981707.db2.gz FOPVCJVMYOBPHI-QUCCMNQESA-N 2 1 345.487 1.926 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000649305117 451982450 /nfs/dbraw/zinc/98/24/50/451982450.db2.gz FOPVCJVMYOBPHI-UYAOXDASSA-N 2 1 345.487 1.926 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[C@H]1[NH3+] ZINC000647009792 452002976 /nfs/dbraw/zinc/00/29/76/452002976.db2.gz IYZIBYWBEAFIKJ-BHIYHBOVSA-N 2 1 344.503 1.561 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H]3C[NH2+]CCOC3)c2)C[C@H](C)O1 ZINC000649337652 452017540 /nfs/dbraw/zinc/01/75/40/452017540.db2.gz CNCADJLRZVTZJM-UXLLHSPISA-N 2 1 347.459 1.470 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]3C[NH2+]CCOC3)c2)C[C@H](C)O1 ZINC000649337652 452017543 /nfs/dbraw/zinc/01/75/43/452017543.db2.gz CNCADJLRZVTZJM-UXLLHSPISA-N 2 1 347.459 1.470 20 0 EDADMP C[C@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649340212 452021034 /nfs/dbraw/zinc/02/10/34/452021034.db2.gz JRXSMQFPRPVUMR-DOTOQJQBSA-N 2 1 333.476 1.910 20 0 EDADMP C[C@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649340212 452021038 /nfs/dbraw/zinc/02/10/38/452021038.db2.gz JRXSMQFPRPVUMR-DOTOQJQBSA-N 2 1 333.476 1.910 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000649370024 452045806 /nfs/dbraw/zinc/04/58/06/452045806.db2.gz BOYDTIJPFAFTCR-WBVHZDCISA-N 2 1 328.460 1.837 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000649370024 452045814 /nfs/dbraw/zinc/04/58/14/452045814.db2.gz BOYDTIJPFAFTCR-WBVHZDCISA-N 2 1 328.460 1.837 20 0 EDADMP CNC(=O)Cc1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418298 452080311 /nfs/dbraw/zinc/08/03/11/452080311.db2.gz YRIORYBEKUWSLV-UONOGXRCSA-N 2 1 336.505 1.643 20 0 EDADMP Cn1ccc(N2CCC[C@@H]([N@H+]3CCC4(C3)CC[NH+](C)CC4)C2=O)n1 ZINC000639757611 452096868 /nfs/dbraw/zinc/09/68/68/452096868.db2.gz JJUVQZSGIHCNQN-OAHLLOKOSA-N 2 1 331.464 1.333 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000639761209 452099232 /nfs/dbraw/zinc/09/92/32/452099232.db2.gz FAUAGDFJYMSVIT-FUHWJXTLSA-N 2 1 349.500 1.878 20 0 EDADMP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000637824388 452102074 /nfs/dbraw/zinc/10/20/74/452102074.db2.gz ZACDHVAVBYTPQG-NZSAHSFTSA-N 2 1 327.472 1.952 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000637833339 452106824 /nfs/dbraw/zinc/10/68/24/452106824.db2.gz RZEGMGHBCXCMEE-ZWKOTPCHSA-N 2 1 326.444 1.262 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+](C2CCC2)C1 ZINC000645016292 452114804 /nfs/dbraw/zinc/11/48/04/452114804.db2.gz ICRTYSPLYAOCLP-HNNXBMFYSA-N 2 1 348.495 1.783 20 0 EDADMP O=C(CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)Nc1ccccc1 ZINC000649625543 452172493 /nfs/dbraw/zinc/17/24/93/452172493.db2.gz GGGSAWMSHBFFQQ-UHFFFAOYSA-N 2 1 331.460 1.842 20 0 EDADMP CCn1ccc(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000649641679 452178815 /nfs/dbraw/zinc/17/88/15/452178815.db2.gz YLEACAITVXXPHL-UHFFFAOYSA-N 2 1 328.420 1.231 20 0 EDADMP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000639876336 452213913 /nfs/dbraw/zinc/21/39/13/452213913.db2.gz DIWWAXAXYDHJFQ-IAGOWNOFSA-N 2 1 325.497 1.017 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000639881207 452216439 /nfs/dbraw/zinc/21/64/39/452216439.db2.gz VAAVAOPTYJBWEK-IAGOWNOFSA-N 2 1 327.513 1.263 20 0 EDADMP COc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1F ZINC000647486376 452230757 /nfs/dbraw/zinc/23/07/57/452230757.db2.gz IZHJLKFDRAXMIT-HNNXBMFYSA-N 2 1 335.423 1.478 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](Cc2nc3c(s2)CCC3)C1)[C@@H]1CCC[NH2+]1 ZINC000647509518 452246265 /nfs/dbraw/zinc/24/62/65/452246265.db2.gz JGJKGHLVODHSHE-HIFRSBDPSA-N 2 1 348.516 1.712 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1)[C@@H]1CCC[NH2+]1 ZINC000647509518 452246276 /nfs/dbraw/zinc/24/62/76/452246276.db2.gz JGJKGHLVODHSHE-HIFRSBDPSA-N 2 1 348.516 1.712 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544221 452275059 /nfs/dbraw/zinc/27/50/59/452275059.db2.gz YIJHCFCPKZZBKY-HOTGVXAUSA-N 2 1 341.455 1.994 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NCC12CC(C1)C[NH2+]2 ZINC000659432343 452276741 /nfs/dbraw/zinc/27/67/41/452276741.db2.gz XAIAEIXGCUULBT-UHFFFAOYSA-N 2 1 344.459 1.070 20 0 EDADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000641802730 452278185 /nfs/dbraw/zinc/27/81/85/452278185.db2.gz BGWWVXNSLNWYGK-VUCTXSBTSA-N 2 1 328.460 1.931 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000659434071 452281563 /nfs/dbraw/zinc/28/15/63/452281563.db2.gz GSMAIQHJOULXNK-CVEARBPZSA-N 2 1 333.480 1.104 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1F ZINC000641809881 452291769 /nfs/dbraw/zinc/29/17/69/452291769.db2.gz YMPXABJJCZZNSJ-UVBJJODRSA-N 2 1 337.439 1.897 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645317869 452295890 /nfs/dbraw/zinc/29/58/90/452295890.db2.gz HNKHDQRFZIBZMC-UHFFFAOYSA-N 2 1 349.479 1.478 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(Cc3nccs3)CC2)CC1 ZINC000639984521 452315143 /nfs/dbraw/zinc/31/51/43/452315143.db2.gz DZQLBYFJUHJSQP-UHFFFAOYSA-N 2 1 336.505 1.562 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000639987114 452318709 /nfs/dbraw/zinc/31/87/09/452318709.db2.gz WRPBWUQZSJRVHX-UHFFFAOYSA-N 2 1 336.524 1.491 20 0 EDADMP O=C(Cc1cccc2c1CC[NH2+]C2)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000638051533 452322869 /nfs/dbraw/zinc/32/28/69/452322869.db2.gz KGZCZVCXMLKOST-GOSISDBHSA-N 2 1 343.471 1.198 20 0 EDADMP COCC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665757564 452324908 /nfs/dbraw/zinc/32/49/08/452324908.db2.gz OGXXHKWJGKRGCJ-HNNXBMFYSA-N 2 1 328.501 1.326 20 0 EDADMP COCC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665757564 452324911 /nfs/dbraw/zinc/32/49/11/452324911.db2.gz OGXXHKWJGKRGCJ-HNNXBMFYSA-N 2 1 328.501 1.326 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000638052046 452325647 /nfs/dbraw/zinc/32/56/47/452325647.db2.gz VUCUCTTVPJENMF-YLQAJVPDSA-N 2 1 339.867 1.826 20 0 EDADMP CO[C@@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CCOCC1 ZINC000638054514 452337216 /nfs/dbraw/zinc/33/72/16/452337216.db2.gz DWBNOJOWFFLCID-ROUUACIJSA-N 2 1 325.497 1.140 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000638057798 452343525 /nfs/dbraw/zinc/34/35/25/452343525.db2.gz OAHSXQORTDQPEN-GOSISDBHSA-N 2 1 345.487 1.348 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000659485464 452346717 /nfs/dbraw/zinc/34/67/17/452346717.db2.gz QMOOSNAMRNBBNT-QGZVFWFLSA-N 2 1 348.491 1.656 20 0 EDADMP COc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)n1 ZINC000657597297 452364941 /nfs/dbraw/zinc/36/49/41/452364941.db2.gz SNHDETAAOFUZOO-SFHVURJKSA-N 2 1 327.428 1.947 20 0 EDADMP C[C@@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000638067602 452371224 /nfs/dbraw/zinc/37/12/24/452371224.db2.gz FPAMEZPCCFKOJX-ZIFCJYIRSA-N 2 1 346.519 1.682 20 0 EDADMP C[C@@H](CNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638067602 452371234 /nfs/dbraw/zinc/37/12/34/452371234.db2.gz FPAMEZPCCFKOJX-ZIFCJYIRSA-N 2 1 346.519 1.682 20 0 EDADMP C[C@@H](CNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000638067602 452371244 /nfs/dbraw/zinc/37/12/44/452371244.db2.gz FPAMEZPCCFKOJX-ZIFCJYIRSA-N 2 1 346.519 1.682 20 0 EDADMP C[C@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000638070536 452378968 /nfs/dbraw/zinc/37/89/68/452378968.db2.gz YYOZPPSBTHOOQS-LMMKCTJWSA-N 2 1 346.519 1.825 20 0 EDADMP C[C@H](CNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000638070536 452378977 /nfs/dbraw/zinc/37/89/77/452378977.db2.gz YYOZPPSBTHOOQS-LMMKCTJWSA-N 2 1 346.519 1.825 20 0 EDADMP C[C@H](CNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000638070536 452378986 /nfs/dbraw/zinc/37/89/86/452378986.db2.gz YYOZPPSBTHOOQS-LMMKCTJWSA-N 2 1 346.519 1.825 20 0 EDADMP CCN(C(=O)NCCCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000663653133 452392881 /nfs/dbraw/zinc/39/28/81/452392881.db2.gz AXYQHCVRKXRIMW-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000659535855 452395586 /nfs/dbraw/zinc/39/55/86/452395586.db2.gz LGJGJSCBZQILNH-ROUUACIJSA-N 2 1 346.475 1.195 20 0 EDADMP O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659537735 452397814 /nfs/dbraw/zinc/39/78/14/452397814.db2.gz HIIMUSGLCIXKPG-IAGOWNOFSA-N 2 1 348.491 1.239 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652209088 452405044 /nfs/dbraw/zinc/40/50/44/452405044.db2.gz ZUPKYRMLGSTABN-MSOLQXFVSA-N 2 1 332.492 1.928 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652209088 452405052 /nfs/dbraw/zinc/40/50/52/452405052.db2.gz ZUPKYRMLGSTABN-MSOLQXFVSA-N 2 1 332.492 1.928 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cn2cc[nH+]c12 ZINC000645447200 452415606 /nfs/dbraw/zinc/41/56/06/452415606.db2.gz RUZSMZIKSPWVRL-AWEZNQCLSA-N 2 1 343.431 1.570 20 0 EDADMP O=C(C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000640095719 452418813 /nfs/dbraw/zinc/41/88/13/452418813.db2.gz PYUYQPBMAOJAIF-KURKYZTESA-N 2 1 335.492 1.355 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)CC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000645483431 452453284 /nfs/dbraw/zinc/45/32/84/452453284.db2.gz MYCVKRXDQZOWDT-KRWDZBQOSA-N 2 1 330.476 1.905 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2ccc(C[NH3+])cc2F)CC[N@H+](C2CC2)C1 ZINC000652269984 452459078 /nfs/dbraw/zinc/45/90/78/452459078.db2.gz PPCJFNYBOMQYRW-ZDUSSCGKSA-N 2 1 334.439 1.910 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000659608261 452463779 /nfs/dbraw/zinc/46/37/79/452463779.db2.gz BQUCYHGWCOAOCL-MWDXBVQZSA-N 2 1 348.491 1.023 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659609569 452466150 /nfs/dbraw/zinc/46/61/50/452466150.db2.gz KBDYVOPADBQFSZ-BZUAXINKSA-N 2 1 336.480 1.023 20 0 EDADMP COc1cccc([C@@]2(C)CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000661712392 452517835 /nfs/dbraw/zinc/51/78/35/452517835.db2.gz QIONPTGBKIIFCJ-FQEVSTJZSA-N 2 1 345.487 1.823 20 0 EDADMP COc1cccc([C@@]2(C)CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000661712392 452517844 /nfs/dbraw/zinc/51/78/44/452517844.db2.gz QIONPTGBKIIFCJ-FQEVSTJZSA-N 2 1 345.487 1.823 20 0 EDADMP c1ccc(N2CCOCC2)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655701638 452521445 /nfs/dbraw/zinc/52/14/45/452521445.db2.gz VHTRECBUWGNMSE-IBGZPJMESA-N 2 1 345.487 1.866 20 0 EDADMP c1ncn(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)n1 ZINC000655714434 452531328 /nfs/dbraw/zinc/53/13/28/452531328.db2.gz DADQIQARBMEZCE-GOSISDBHSA-N 2 1 327.432 1.610 20 0 EDADMP CS(=O)(=O)CC1(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652364053 452547608 /nfs/dbraw/zinc/54/76/08/452547608.db2.gz VZMHWEIKAYCSCJ-ZNMIVQPWSA-N 2 1 330.494 1.172 20 0 EDADMP C[C@@H](CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000659690702 452569045 /nfs/dbraw/zinc/56/90/45/452569045.db2.gz SDZITJZIONIWIM-HNNXBMFYSA-N 2 1 348.491 1.209 20 0 EDADMP CC(C)c1ccc(CCNC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647835171 452570836 /nfs/dbraw/zinc/57/08/36/452570836.db2.gz PKVDVUABDJRVRZ-UHFFFAOYSA-N 2 1 346.519 1.306 20 0 EDADMP CC(C)c1ccc(CCNC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647835171 452570838 /nfs/dbraw/zinc/57/08/38/452570838.db2.gz PKVDVUABDJRVRZ-UHFFFAOYSA-N 2 1 346.519 1.306 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)F)nc1 ZINC000657869549 452580359 /nfs/dbraw/zinc/58/03/59/452580359.db2.gz JVBZDWKFXDWZTI-GFCCVEGCSA-N 2 1 326.391 1.834 20 0 EDADMP CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647878652 452617591 /nfs/dbraw/zinc/61/75/91/452617591.db2.gz WPPYZZMWBIXTQP-MRXNPFEDSA-N 2 1 331.526 1.560 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)CCC(F)(F)F ZINC000654544756 452625302 /nfs/dbraw/zinc/62/53/02/452625302.db2.gz PVIXRHDCOMDFPH-BETUJISGSA-N 2 1 338.418 1.900 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000647965616 452710090 /nfs/dbraw/zinc/71/00/90/452710090.db2.gz CLSBRCZMUQHWLU-QGZVFWFLSA-N 2 1 327.513 1.264 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000661952233 452712770 /nfs/dbraw/zinc/71/27/70/452712770.db2.gz CZHPNNAZIKRUFN-INIZCTEOSA-N 2 1 331.464 1.706 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000661952233 452712775 /nfs/dbraw/zinc/71/27/75/452712775.db2.gz CZHPNNAZIKRUFN-INIZCTEOSA-N 2 1 331.464 1.706 20 0 EDADMP Cc1nc(C(C)(C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)no1 ZINC000664010170 452712996 /nfs/dbraw/zinc/71/29/96/452712996.db2.gz INYWLGZCBYYAGJ-LBPRGKRZSA-N 2 1 340.472 1.184 20 0 EDADMP Cc1nc(C(C)(C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)no1 ZINC000664010170 452713004 /nfs/dbraw/zinc/71/30/04/452713004.db2.gz INYWLGZCBYYAGJ-LBPRGKRZSA-N 2 1 340.472 1.184 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649699 452741477 /nfs/dbraw/zinc/74/14/77/452741477.db2.gz KZTIZKBQBSOLFI-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649699 452741485 /nfs/dbraw/zinc/74/14/85/452741485.db2.gz KZTIZKBQBSOLFI-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655966740 452747453 /nfs/dbraw/zinc/74/74/53/452747453.db2.gz GGMPHLHDIFYYJT-TTZDDIAXSA-N 2 1 326.485 1.301 20 0 EDADMP C[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655966740 452747462 /nfs/dbraw/zinc/74/74/62/452747462.db2.gz GGMPHLHDIFYYJT-TTZDDIAXSA-N 2 1 326.485 1.301 20 0 EDADMP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658140640 452748779 /nfs/dbraw/zinc/74/87/79/452748779.db2.gz VSMDWCJHKKOALA-SJORKVTESA-N 2 1 331.460 1.400 20 0 EDADMP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1CCCCC1 ZINC000652705252 452858360 /nfs/dbraw/zinc/85/83/60/452858360.db2.gz CLJVZOPYBIPGJN-GJZGRUSLSA-N 2 1 340.512 1.389 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000648160013 452869607 /nfs/dbraw/zinc/86/96/07/452869607.db2.gz NOPNDQMACXVDLH-WWDZGPRUSA-N 2 1 330.476 1.879 20 0 EDADMP C[C@H]1C[C@@H](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC000648168100 452880519 /nfs/dbraw/zinc/88/05/19/452880519.db2.gz VCPDIBKTNXLQTH-IKLKHMQRSA-N 2 1 327.472 1.869 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@]1(C)CO ZINC000662146646 452882152 /nfs/dbraw/zinc/88/21/52/452882152.db2.gz STRWXFOGCRAMDA-SUMDDJOVSA-N 2 1 333.476 1.356 20 0 EDADMP Cn1c2ccccc2cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1=O ZINC000662151738 452886703 /nfs/dbraw/zinc/88/67/03/452886703.db2.gz JXQWIRHPQYMIBR-SFHVURJKSA-N 2 1 341.455 1.570 20 0 EDADMP Cn1c2ccccc2cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1=O ZINC000662151738 452886710 /nfs/dbraw/zinc/88/67/10/452886710.db2.gz JXQWIRHPQYMIBR-SFHVURJKSA-N 2 1 341.455 1.570 20 0 EDADMP Cc1cccc2nc(CCNC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)cn21 ZINC000645932059 452911301 /nfs/dbraw/zinc/91/13/01/452911301.db2.gz USKWSLWYPXBBJM-DOTOQJQBSA-N 2 1 341.459 1.921 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])C2)CC1 ZINC000645977527 452963168 /nfs/dbraw/zinc/96/31/68/452963168.db2.gz FMKUEVUGMFROGI-CGTJXYLNSA-N 2 1 336.524 1.569 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])C2)CC1 ZINC000645977527 452963177 /nfs/dbraw/zinc/96/31/77/452963177.db2.gz FMKUEVUGMFROGI-CGTJXYLNSA-N 2 1 336.524 1.569 20 0 EDADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248488 452972722 /nfs/dbraw/zinc/97/27/22/452972722.db2.gz DCDNYMDOHAJDMB-YOEHRIQHSA-N 2 1 327.432 1.781 20 0 EDADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CCN(S(C)(=O)=O)CC1 ZINC000662258023 452985995 /nfs/dbraw/zinc/98/59/95/452985995.db2.gz HJOUIYAJZLKXNE-UHFFFAOYSA-N 2 1 337.489 1.188 20 0 EDADMP c1cc2c(ncnc2N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)s1 ZINC000662259922 452987772 /nfs/dbraw/zinc/98/77/72/452987772.db2.gz CVYAXKQNDVHJAR-ZDUSSCGKSA-N 2 1 345.472 1.334 20 0 EDADMP CCN1C[C@@H](C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)Oc2ccccc21 ZINC000662261202 452991379 /nfs/dbraw/zinc/99/13/79/452991379.db2.gz UPVHMCWNQHPFBG-HZPDHXFCSA-N 2 1 331.460 1.727 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CC2)C1 ZINC000646003035 452998447 /nfs/dbraw/zinc/99/84/47/452998447.db2.gz OGKMNFMVGDXKQC-MSOLQXFVSA-N 2 1 348.466 1.106 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NCC[C@@H](C)[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000664328421 453002035 /nfs/dbraw/zinc/00/20/35/453002035.db2.gz RPFNZNIWOBLRSZ-CQSZACIVSA-N 2 1 348.495 1.702 20 0 EDADMP CC(C)(C)n1nnc(CC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)n1 ZINC000662284556 453007150 /nfs/dbraw/zinc/00/71/50/453007150.db2.gz NLQJCNHSTUMOGG-KFWWJZLASA-N 2 1 336.484 1.331 20 0 EDADMP NS(=O)(=O)c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)co1 ZINC000662293763 453016289 /nfs/dbraw/zinc/01/62/89/453016289.db2.gz NJAMPIHTJMCNRO-AWEZNQCLSA-N 2 1 327.450 1.139 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662307770 453026701 /nfs/dbraw/zinc/02/67/01/453026701.db2.gz ZBEFLMDBMDIRGW-RTBURBONSA-N 2 1 329.488 1.756 20 0 EDADMP CN(CCc1ccccc1)[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662307770 453026710 /nfs/dbraw/zinc/02/67/10/453026710.db2.gz ZBEFLMDBMDIRGW-RTBURBONSA-N 2 1 329.488 1.756 20 0 EDADMP CN(CCc1ccccc1)[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662307770 453026717 /nfs/dbraw/zinc/02/67/17/453026717.db2.gz ZBEFLMDBMDIRGW-RTBURBONSA-N 2 1 329.488 1.756 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662317742 453033829 /nfs/dbraw/zinc/03/38/29/453033829.db2.gz ZWSCNAYMVGMKLR-RHSMWYFYSA-N 2 1 339.505 1.934 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCc1nnn(C(C)(C)C)n1 ZINC000660115462 453041656 /nfs/dbraw/zinc/04/16/56/453041656.db2.gz AEVPEYNBMKPFLX-ILXRZTDVSA-N 2 1 336.484 1.154 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1nnn(C(C)(C)C)n1 ZINC000660115462 453041666 /nfs/dbraw/zinc/04/16/66/453041666.db2.gz AEVPEYNBMKPFLX-ILXRZTDVSA-N 2 1 336.484 1.154 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000662324009 453043836 /nfs/dbraw/zinc/04/38/36/453043836.db2.gz SNIFPJOJXWHGIH-LJQANCHMSA-N 3 1 340.556 1.445 20 0 EDADMP CC(C)[NH+]1CCN(CCCN2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000662324009 453043839 /nfs/dbraw/zinc/04/38/39/453043839.db2.gz SNIFPJOJXWHGIH-LJQANCHMSA-N 2 1 340.556 1.445 20 0 EDADMP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000650899618 453099157 /nfs/dbraw/zinc/09/91/57/453099157.db2.gz LBRBELJZSRJUBE-INIZCTEOSA-N 2 1 328.501 1.232 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000650899618 453099164 /nfs/dbraw/zinc/09/91/64/453099164.db2.gz LBRBELJZSRJUBE-INIZCTEOSA-N 2 1 328.501 1.232 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C[NH2+]C(C)C)cc2)CC1 ZINC000662389727 453100969 /nfs/dbraw/zinc/10/09/69/453100969.db2.gz ZTOMGJZCFCOJNE-UHFFFAOYSA-N 2 1 332.492 1.438 20 0 EDADMP Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646103505 453103838 /nfs/dbraw/zinc/10/38/38/453103838.db2.gz VYGGOXUNUNKATR-SFHVURJKSA-N 2 1 348.487 1.840 20 0 EDADMP COC[C@]1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC[NH2+]C1 ZINC000646106149 453109511 /nfs/dbraw/zinc/10/95/11/453109511.db2.gz PZFPHXWRUJEXKI-HKUYNNGSSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662414741 453124828 /nfs/dbraw/zinc/12/48/28/453124828.db2.gz YGMFBOSSXFAPCB-GWCFXTLKSA-N 2 1 326.238 1.517 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CCO1 ZINC000662430625 453139584 /nfs/dbraw/zinc/13/95/84/453139584.db2.gz AGGPYBZRMXKFOF-BIMULSAOSA-N 2 1 342.237 1.024 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662454536 453163691 /nfs/dbraw/zinc/16/36/91/453163691.db2.gz BTABSCQDTDBBQB-DLBZAZTESA-N 2 1 330.476 1.041 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000662457390 453164953 /nfs/dbraw/zinc/16/49/53/453164953.db2.gz HZWPVOLGITWUJM-QFBILLFUSA-N 2 1 342.487 1.506 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000662457390 453164956 /nfs/dbraw/zinc/16/49/56/453164956.db2.gz HZWPVOLGITWUJM-QFBILLFUSA-N 2 1 342.487 1.506 20 0 EDADMP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655073829 453198253 /nfs/dbraw/zinc/19/82/53/453198253.db2.gz GLERMLKLSBLNES-FXAWDEMLSA-N 2 1 343.471 1.081 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334755 453222501 /nfs/dbraw/zinc/22/25/01/453222501.db2.gz QJMINHDJLZSMMM-PMACEKPBSA-N 2 1 349.519 1.256 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)CN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334755 453222510 /nfs/dbraw/zinc/22/25/10/453222510.db2.gz QJMINHDJLZSMMM-PMACEKPBSA-N 2 1 349.519 1.256 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)CN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334755 453222520 /nfs/dbraw/zinc/22/25/20/453222520.db2.gz QJMINHDJLZSMMM-PMACEKPBSA-N 2 1 349.519 1.256 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000664598250 453232828 /nfs/dbraw/zinc/23/28/28/453232828.db2.gz GGHCJVYGVUDUNQ-XHSDSOJGSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000664598250 453232836 /nfs/dbraw/zinc/23/28/36/453232836.db2.gz GGHCJVYGVUDUNQ-XHSDSOJGSA-N 2 1 328.501 1.515 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cccc2c1C[NH2+]C2 ZINC000662530058 453252982 /nfs/dbraw/zinc/25/29/82/453252982.db2.gz LJSGMWKKRFUATK-MSOLQXFVSA-N 2 1 329.444 1.663 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000648794299 453280458 /nfs/dbraw/zinc/28/04/58/453280458.db2.gz IQAMFFSSLFBGEO-PSBWJHGTSA-N 2 1 345.487 1.732 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000648794299 453280466 /nfs/dbraw/zinc/28/04/66/453280466.db2.gz IQAMFFSSLFBGEO-PSBWJHGTSA-N 2 1 345.487 1.732 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000648794299 453280473 /nfs/dbraw/zinc/28/04/73/453280473.db2.gz IQAMFFSSLFBGEO-PSBWJHGTSA-N 2 1 345.487 1.732 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000648794299 453280480 /nfs/dbraw/zinc/28/04/80/453280480.db2.gz IQAMFFSSLFBGEO-PSBWJHGTSA-N 2 1 345.487 1.732 20 0 EDADMP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000653106234 453288674 /nfs/dbraw/zinc/28/86/74/453288674.db2.gz YAMXFRFLNVEYBI-HUUCEWRRSA-N 2 1 326.872 1.338 20 0 EDADMP C[C@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662561159 453288831 /nfs/dbraw/zinc/28/88/31/453288831.db2.gz PQFPYMOZDFNWBC-TZMCWYRMSA-N 2 1 326.238 1.646 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662591534 453319510 /nfs/dbraw/zinc/31/95/10/453319510.db2.gz SVXAWJHVBVTFBS-HUUCEWRRSA-N 2 1 331.464 1.338 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000648867911 453343174 /nfs/dbraw/zinc/34/31/74/453343174.db2.gz GCITZTDBRABOQF-POAQFYNOSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000648867911 453343181 /nfs/dbraw/zinc/34/31/81/453343181.db2.gz GCITZTDBRABOQF-POAQFYNOSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000648867911 453343187 /nfs/dbraw/zinc/34/31/87/453343187.db2.gz GCITZTDBRABOQF-POAQFYNOSA-N 2 1 345.487 1.422 20 0 EDADMP CO[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C1CCCC1 ZINC000667054346 453369653 /nfs/dbraw/zinc/36/96/53/453369653.db2.gz FKXKFRIWCCUNSH-KRWDZBQOSA-N 2 1 332.448 1.977 20 0 EDADMP CCN(C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000664754917 453376181 /nfs/dbraw/zinc/37/61/81/453376181.db2.gz MPQKUXFGOMDOHI-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP O=C1C[C@@H](C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CN1 ZINC000660536288 453381471 /nfs/dbraw/zinc/38/14/71/453381471.db2.gz GAJXUFKWIZTFRS-MOPGFXCFSA-N 2 1 342.487 1.015 20 0 EDADMP C[N@@H+](CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C1CCCCC1 ZINC000662680863 453400771 /nfs/dbraw/zinc/40/07/71/453400771.db2.gz MRMAIMBSYPDPON-INIZCTEOSA-N 2 1 348.495 1.587 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCc1cccnc1N1CCCC1 ZINC000660584825 453423839 /nfs/dbraw/zinc/42/38/39/453423839.db2.gz MRHPNFFWRZHZFA-UHFFFAOYSA-N 2 1 335.452 1.059 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@@H](C)O1 ZINC000667180360 453455498 /nfs/dbraw/zinc/45/54/98/453455498.db2.gz NKIQTZOCHSZJPC-NQNKBUKLSA-N 2 1 346.475 1.624 20 0 EDADMP C[N@H+]1CC[C@H](c2nc(-c3ccc(N4CC[NH+](C)CC4)cn3)no2)C1 ZINC000664940606 453504752 /nfs/dbraw/zinc/50/47/52/453504752.db2.gz QTOTXLNSDWXHMJ-ZDUSSCGKSA-N 2 1 328.420 1.303 20 0 EDADMP C[N@H+]1CC[C@@H](c2nc(-c3ccc(N4CC[NH+](C)CC4)cn3)no2)C1 ZINC000664940605 453505153 /nfs/dbraw/zinc/50/51/53/453505153.db2.gz QTOTXLNSDWXHMJ-CYBMUJFWSA-N 2 1 328.420 1.303 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678485 453508288 /nfs/dbraw/zinc/50/82/88/453508288.db2.gz VFEBFQNEDNNMFX-IBGZPJMESA-N 2 1 335.492 1.180 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000662803996 453538982 /nfs/dbraw/zinc/53/89/82/453538982.db2.gz AOBUJIVEVCZTGQ-LULLPPNCSA-N 2 1 345.487 1.767 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C1CC1)C1(CO)CCC1)c1ccccc1 ZINC000660773363 453570705 /nfs/dbraw/zinc/57/07/05/453570705.db2.gz WDPZLUHZGSUWHX-GOSISDBHSA-N 2 1 345.487 1.785 20 0 EDADMP CC[N@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000660786240 453573968 /nfs/dbraw/zinc/57/39/68/453573968.db2.gz IUPNKPBSMBVWFE-HKUYNNGSSA-N 2 1 346.519 1.822 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659034557 453591678 /nfs/dbraw/zinc/59/16/78/453591678.db2.gz OGGLPFDYCZCKAH-YOEHRIQHSA-N 2 1 332.448 1.811 20 0 EDADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000665249793 453623793 /nfs/dbraw/zinc/62/37/93/453623793.db2.gz ZIFIPTVIIMWFCH-ZDUSSCGKSA-N 2 1 325.478 1.859 20 0 EDADMP C[C@@H](NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000665285391 453635878 /nfs/dbraw/zinc/63/58/78/453635878.db2.gz LNQWOWCSDBCGKR-HOJAQTOUSA-N 2 1 330.520 1.923 20 0 EDADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000661036116 453688882 /nfs/dbraw/zinc/68/88/82/453688882.db2.gz DZRPKKNFZNOQGR-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000661036116 453688889 /nfs/dbraw/zinc/68/88/89/453688889.db2.gz DZRPKKNFZNOQGR-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000661036116 453688893 /nfs/dbraw/zinc/68/88/93/453688893.db2.gz DZRPKKNFZNOQGR-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661035876 453689345 /nfs/dbraw/zinc/68/93/45/453689345.db2.gz BDYZNPDIYZMPET-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661035876 453689348 /nfs/dbraw/zinc/68/93/48/453689348.db2.gz BDYZNPDIYZMPET-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661035876 453689352 /nfs/dbraw/zinc/68/93/52/453689352.db2.gz BDYZNPDIYZMPET-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]1)c1sc2c(c1Br)C[NH2+]C2 ZINC000659293084 453705265 /nfs/dbraw/zinc/70/52/65/453705265.db2.gz COFKEQQKZYTDGM-SSDOTTSWSA-N 2 1 330.251 1.596 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1(C)C ZINC000661130419 453722772 /nfs/dbraw/zinc/72/27/72/453722772.db2.gz MOALWOUDCNTRQF-OAHLLOKOSA-N 2 1 339.528 1.184 20 0 EDADMP C[NH+]1CCN(CCNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1(C)C ZINC000661130419 453722775 /nfs/dbraw/zinc/72/27/75/453722775.db2.gz MOALWOUDCNTRQF-OAHLLOKOSA-N 2 1 339.528 1.184 20 0 EDADMP C[NH+]1CCN(CCNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1(C)C ZINC000661130419 453722777 /nfs/dbraw/zinc/72/27/77/453722777.db2.gz MOALWOUDCNTRQF-OAHLLOKOSA-N 2 1 339.528 1.184 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000683260335 486670096 /nfs/dbraw/zinc/67/00/96/486670096.db2.gz LARWOKWCWJPHEO-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000683260335 486670100 /nfs/dbraw/zinc/67/01/00/486670100.db2.gz LARWOKWCWJPHEO-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCC[C@H]1C ZINC000676242198 486702449 /nfs/dbraw/zinc/70/24/49/486702449.db2.gz AHCWFMTVLHTHBL-UGUYLWEFSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCC[C@H]1C ZINC000676242198 486702453 /nfs/dbraw/zinc/70/24/53/486702453.db2.gz AHCWFMTVLHTHBL-UGUYLWEFSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCCC[C@H]1C ZINC000676242198 486702455 /nfs/dbraw/zinc/70/24/55/486702455.db2.gz AHCWFMTVLHTHBL-UGUYLWEFSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@H+]1CCCC[C@H]1C ZINC000676242198 486702459 /nfs/dbraw/zinc/70/24/59/486702459.db2.gz AHCWFMTVLHTHBL-UGUYLWEFSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414045271 486711241 /nfs/dbraw/zinc/71/12/41/486711241.db2.gz VZUUGUMMQCLVGE-MRXNPFEDSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414045271 486711247 /nfs/dbraw/zinc/71/12/47/486711247.db2.gz VZUUGUMMQCLVGE-MRXNPFEDSA-N 2 1 325.497 1.820 20 0 EDADMP C[NH2+]CCN(C)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417038596 486792023 /nfs/dbraw/zinc/79/20/23/486792023.db2.gz JMQGNQBNVFHBNQ-MRXNPFEDSA-N 2 1 333.480 1.058 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cn1 ZINC000684117058 486950065 /nfs/dbraw/zinc/95/00/65/486950065.db2.gz WDIWQOUHYKZQLF-OAHLLOKOSA-N 2 1 336.484 1.687 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000684164017 486963614 /nfs/dbraw/zinc/96/36/14/486963614.db2.gz QLQMUOKKSCURIL-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP COCC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000684164017 486963617 /nfs/dbraw/zinc/96/36/17/486963617.db2.gz QLQMUOKKSCURIL-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP COCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000684164017 486963623 /nfs/dbraw/zinc/96/36/23/486963623.db2.gz QLQMUOKKSCURIL-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000677194108 487005655 /nfs/dbraw/zinc/00/56/55/487005655.db2.gz QJPJMDSOJXYUSM-GOSISDBHSA-N 2 1 344.503 1.751 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000667951423 487028341 /nfs/dbraw/zinc/02/83/41/487028341.db2.gz SRASLNNRDOJSIV-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCS(N)(=O)=O ZINC000681411649 487036785 /nfs/dbraw/zinc/03/67/85/487036785.db2.gz AIUAFFXGRYKIHU-HOCLYGCPSA-N 2 1 325.478 1.165 20 0 EDADMP CC[C@@H](C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)[NH+](CC)CC ZINC000673650345 487076857 /nfs/dbraw/zinc/07/68/57/487076857.db2.gz NZOYWCMORHPYFC-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCO[C@H]3C3CC3)C2)CC1 ZINC000677653222 487142430 /nfs/dbraw/zinc/14/24/30/487142430.db2.gz BKOSFOQQEQITHX-UAGQMJEPSA-N 2 1 336.480 1.022 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CCO[C@H]3C3CC3)C2)CC1 ZINC000677653222 487142433 /nfs/dbraw/zinc/14/24/33/487142433.db2.gz BKOSFOQQEQITHX-UAGQMJEPSA-N 2 1 336.480 1.022 20 0 EDADMP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000674015820 487184559 /nfs/dbraw/zinc/18/45/59/487184559.db2.gz YTLQYSJNZXKNJJ-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000674015820 487184562 /nfs/dbraw/zinc/18/45/62/487184562.db2.gz YTLQYSJNZXKNJJ-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP CN(C)C(=O)CCN1CCC([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000684955579 487200208 /nfs/dbraw/zinc/20/02/08/487200208.db2.gz PARNJOIQNDVAMN-QGZVFWFLSA-N 2 1 330.476 1.991 20 0 EDADMP C[C@@H](NC(=O)N(C)C[C@@H]1CCc2[nH+]ccn2C1)C1CC[NH+](C)CC1 ZINC000681872621 487212763 /nfs/dbraw/zinc/21/27/63/487212763.db2.gz BUUAHJGMXBCYIG-CABCVRRESA-N 2 1 333.480 1.817 20 0 EDADMP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)C1CC[NH+](C)CC1 ZINC000682192209 487317796 /nfs/dbraw/zinc/31/77/96/487317796.db2.gz ICHWHVYHZAAHHW-ZDUSSCGKSA-N 2 1 344.459 1.417 20 0 EDADMP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)C1CC[NH+](C)CC1 ZINC000682192209 487317800 /nfs/dbraw/zinc/31/78/00/487317800.db2.gz ICHWHVYHZAAHHW-ZDUSSCGKSA-N 2 1 344.459 1.417 20 0 EDADMP C[C@H](CCCCO)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000679334552 487415754 /nfs/dbraw/zinc/41/57/54/487415754.db2.gz YDOFJFZZMSZRBO-MRXNPFEDSA-N 2 1 333.476 1.715 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CCN1C ZINC000683084638 487448338 /nfs/dbraw/zinc/44/83/38/487448338.db2.gz JGTKCKBWUISKNX-HOTGVXAUSA-N 2 1 331.464 1.642 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)Cc1ccc(F)cc1 ZINC000669518039 485483244 /nfs/dbraw/zinc/48/32/44/485483244.db2.gz UPAKNEPQBINUJQ-DOTOQJQBSA-N 2 1 334.439 1.651 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000669528964 485503541 /nfs/dbraw/zinc/50/35/41/485503541.db2.gz XXXVWUUDBVBCSQ-BVPBIZIASA-N 2 1 328.460 1.524 20 0 EDADMP C[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538162 485518639 /nfs/dbraw/zinc/51/86/39/485518639.db2.gz BIXRGMRURFIPRI-HOCLYGCPSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538162 485518642 /nfs/dbraw/zinc/51/86/42/485518642.db2.gz BIXRGMRURFIPRI-HOCLYGCPSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000669557142 485560261 /nfs/dbraw/zinc/56/02/61/485560261.db2.gz VIXIHICVFISPIX-NRSFXHEJSA-N 2 1 330.476 1.934 20 0 EDADMP [NH3+]C[C@@H]1CCN(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000669570255 485588718 /nfs/dbraw/zinc/58/87/18/485588718.db2.gz GDBWQUFMTFOFCB-DLBZAZTESA-N 2 1 348.516 1.594 20 0 EDADMP [NH3+]C[C@@H]1CCN(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000669570255 485588725 /nfs/dbraw/zinc/58/87/25/485588725.db2.gz GDBWQUFMTFOFCB-DLBZAZTESA-N 2 1 348.516 1.594 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000669578663 485623091 /nfs/dbraw/zinc/62/30/91/485623091.db2.gz WNVRDWDPDQKGDL-USXIJHARSA-N 2 1 338.496 1.541 20 0 EDADMP Cc1cc(CNC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC000669588579 485642753 /nfs/dbraw/zinc/64/27/53/485642753.db2.gz FAWFILRPROMCJG-GDBMZVCRSA-N 2 1 347.463 1.248 20 0 EDADMP FC(F)C1CCC([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000669614996 485754191 /nfs/dbraw/zinc/75/41/91/485754191.db2.gz NPVIKEINZQPCQN-GPANFISMSA-N 2 1 331.451 1.806 20 0 EDADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NCC[NH2+]C3CC3)cc2)C[C@H](C)O1 ZINC000237627858 485994970 /nfs/dbraw/zinc/99/49/70/485994970.db2.gz BIFWDKNRSQLCNT-GJZGRUSLSA-N 2 1 331.460 1.778 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@@H]1CCCC[NH2+]1 ZINC000238073307 486027779 /nfs/dbraw/zinc/02/77/79/486027779.db2.gz HLNJGIWXOCNOEY-ZWKOTPCHSA-N 2 1 331.460 1.536 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@@H]1CCCC[NH2+]1 ZINC000238073307 486027788 /nfs/dbraw/zinc/02/77/88/486027788.db2.gz HLNJGIWXOCNOEY-ZWKOTPCHSA-N 2 1 331.460 1.536 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccccc2-n2cncn2)CCO1 ZINC000668785572 486195062 /nfs/dbraw/zinc/19/50/62/486195062.db2.gz SHDOIWFVQOOGKZ-KRWDZBQOSA-N 2 1 329.448 1.810 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccccc2-n2cncn2)CCO1 ZINC000668785572 486195067 /nfs/dbraw/zinc/19/50/67/486195067.db2.gz SHDOIWFVQOOGKZ-KRWDZBQOSA-N 2 1 329.448 1.810 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669458887 486214445 /nfs/dbraw/zinc/21/44/45/486214445.db2.gz JBFGSGSFDVARNB-RBUKOAKNSA-N 2 1 344.503 1.992 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000668809851 486219029 /nfs/dbraw/zinc/21/90/29/486219029.db2.gz DIKUTDHZCWVPDX-WBVHZDCISA-N 2 1 334.464 1.266 20 0 EDADMP CN(CCC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1cc[nH+]cc1 ZINC000679409305 491011269 /nfs/dbraw/zinc/01/12/69/491011269.db2.gz YQQJJSJJHWFQFE-SFHVURJKSA-N 2 1 345.491 1.146 20 0 EDADMP COC1CC[NH+](CCNC(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000080056083 491169850 /nfs/dbraw/zinc/16/98/50/491169850.db2.gz HLUKATURFGDYPB-OAHLLOKOSA-N 2 1 338.452 1.292 20 0 EDADMP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000155258494 533945471 /nfs/dbraw/zinc/94/54/71/533945471.db2.gz JWNRODYMBWGTPL-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262638097 536448710 /nfs/dbraw/zinc/44/87/10/536448710.db2.gz ITJAHAIKSQDWQH-UKRRQHHQSA-N 2 1 332.448 1.178 20 0 EDADMP CC1CC[NH+](CCN2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000153387335 528241110 /nfs/dbraw/zinc/24/11/10/528241110.db2.gz MBNJFGDWLQASLL-UHFFFAOYSA-N 2 1 336.524 1.348 20 0 EDADMP CC1CC[NH+](CCN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000153387335 528241117 /nfs/dbraw/zinc/24/11/17/528241117.db2.gz MBNJFGDWLQASLL-UHFFFAOYSA-N 2 1 336.524 1.348 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CCC[C@H](C[NH2+]C)C1)[NH+]1CCOCC1 ZINC000159015056 528808209 /nfs/dbraw/zinc/80/82/09/528808209.db2.gz HKOABCQMMAPCJY-WBVHZDCISA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000164606519 528833766 /nfs/dbraw/zinc/83/37/66/528833766.db2.gz FPIILFQSOSVVRR-GOSISDBHSA-N 2 1 333.476 1.912 20 0 EDADMP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000236687175 534935046 /nfs/dbraw/zinc/93/50/46/534935046.db2.gz RQEBOXDDXJKPCF-UHFFFAOYSA-N 2 1 333.476 1.900 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C(C2CC2)C2CC2)C1 ZINC000050989123 535110341 /nfs/dbraw/zinc/11/03/41/535110341.db2.gz OXBOZVMCUGCTJW-KRWDZBQOSA-N 2 1 337.508 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C(C2CC2)C2CC2)C1 ZINC000050989123 535110345 /nfs/dbraw/zinc/11/03/45/535110345.db2.gz OXBOZVMCUGCTJW-KRWDZBQOSA-N 2 1 337.508 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C(C2CC2)C2CC2)C1 ZINC000050989123 535110351 /nfs/dbraw/zinc/11/03/51/535110351.db2.gz OXBOZVMCUGCTJW-KRWDZBQOSA-N 2 1 337.508 1.580 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)CC[C@H]2C)C1 ZINC000076150025 535117295 /nfs/dbraw/zinc/11/72/95/535117295.db2.gz CZAPKEUITVQTKU-GVDBMIGSSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2C)C1 ZINC000076150025 535117300 /nfs/dbraw/zinc/11/73/00/535117300.db2.gz CZAPKEUITVQTKU-GVDBMIGSSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H](C)CC[C@H]2C)C1 ZINC000076150025 535117307 /nfs/dbraw/zinc/11/73/07/535117307.db2.gz CZAPKEUITVQTKU-GVDBMIGSSA-N 2 1 325.497 1.580 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000133432079 535223613 /nfs/dbraw/zinc/22/36/13/535223613.db2.gz NKGYVHBSHXQEAV-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000133432079 535223617 /nfs/dbraw/zinc/22/36/17/535223617.db2.gz NKGYVHBSHXQEAV-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP CCCC[NH+](C)CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133432079 535223618 /nfs/dbraw/zinc/22/36/18/535223618.db2.gz NKGYVHBSHXQEAV-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP CCCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133432079 535223622 /nfs/dbraw/zinc/22/36/22/535223622.db2.gz NKGYVHBSHXQEAV-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333410140 535481317 /nfs/dbraw/zinc/48/13/17/535481317.db2.gz RCFHYLBWKFFLHB-ZACQAIPSSA-N 2 1 338.496 1.399 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000339608861 535570408 /nfs/dbraw/zinc/57/04/08/535570408.db2.gz SIKHGQPIDBBLTD-IRXDYDNUSA-N 2 1 346.475 1.006 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1cnn(C)c1C ZINC000270212244 535592271 /nfs/dbraw/zinc/59/22/71/535592271.db2.gz OFEQBKSZYCHMNP-BBVFFXRHSA-N 2 1 347.507 1.616 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000263366850 535712649 /nfs/dbraw/zinc/71/26/49/535712649.db2.gz WJHKJYDGVLWZJJ-AEFFLSMTSA-N 2 1 332.492 1.466 20 0 EDADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262048412 535905830 /nfs/dbraw/zinc/90/58/30/535905830.db2.gz ZICKFLPCLXPLPU-ZCNNSNEGSA-N 3 1 347.503 1.874 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)cn1 ZINC000333475922 536053540 /nfs/dbraw/zinc/05/35/40/536053540.db2.gz BKWLYSSFFRARJF-DOTOQJQBSA-N 2 1 348.495 1.261 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)cn1 ZINC000333475922 536053543 /nfs/dbraw/zinc/05/35/43/536053543.db2.gz BKWLYSSFFRARJF-DOTOQJQBSA-N 2 1 348.495 1.261 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)s1 ZINC000347923390 536055811 /nfs/dbraw/zinc/05/58/11/536055811.db2.gz UBYDVMQILBXJEA-FVQBIDKESA-N 2 1 338.521 1.888 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000271172547 536368297 /nfs/dbraw/zinc/36/82/97/536368297.db2.gz FNAFNJZMJWBEMQ-QGZVFWFLSA-N 2 1 326.444 1.906 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000271172547 536368300 /nfs/dbraw/zinc/36/83/00/536368300.db2.gz FNAFNJZMJWBEMQ-QGZVFWFLSA-N 2 1 326.444 1.906 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000262438465 536387465 /nfs/dbraw/zinc/38/74/65/536387465.db2.gz UOCKXHXGWIGMSW-ROUUACIJSA-N 2 1 341.459 1.461 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000262438465 536387467 /nfs/dbraw/zinc/38/74/67/536387467.db2.gz UOCKXHXGWIGMSW-ROUUACIJSA-N 2 1 341.459 1.461 20 0 EDADMP COCc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000347081266 536802375 /nfs/dbraw/zinc/80/23/75/536802375.db2.gz XQQAJVKCNLOPFV-SFHVURJKSA-N 2 1 331.460 1.477 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(C3CCCC3)CC1)C2=O ZINC000743376451 579478200 /nfs/dbraw/zinc/47/82/00/579478200.db2.gz GBVKRKBFAWASPL-UHFFFAOYSA-N 2 1 348.491 1.862 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NC1CC[NH+](CCCOC)CC1 ZINC000726908390 578491706 /nfs/dbraw/zinc/49/17/06/578491706.db2.gz YFPCBCAHNONPBW-MRXNPFEDSA-N 2 1 342.553 1.436 20 0 EDADMP Cc1[nH]nc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1Br ZINC000728611384 578549461 /nfs/dbraw/zinc/54/94/61/578549461.db2.gz CQSZGEPCPONMDU-UHFFFAOYSA-N 2 1 346.273 1.046 20 0 EDADMP CNC(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000733329024 578759507 /nfs/dbraw/zinc/75/95/07/578759507.db2.gz KSWNBYISWAWGIK-SFHVURJKSA-N 2 1 331.460 1.779 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000734951172 578849120 /nfs/dbraw/zinc/84/91/20/578849120.db2.gz QFXKEVFWJCOWAC-SFHVURJKSA-N 2 1 348.491 1.610 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000734951172 578849121 /nfs/dbraw/zinc/84/91/21/578849121.db2.gz QFXKEVFWJCOWAC-SFHVURJKSA-N 2 1 348.491 1.610 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)CCCCC[NH3+])cc2)CC1 ZINC000746306106 579586126 /nfs/dbraw/zinc/58/61/26/579586126.db2.gz HAHKPGZEEAMFAG-UHFFFAOYSA-N 2 1 346.519 1.959 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000746637493 579604281 /nfs/dbraw/zinc/60/42/81/579604281.db2.gz RCHSAGQBFMWQOL-MRXNPFEDSA-N 2 1 339.867 1.781 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000749304704 579721012 /nfs/dbraw/zinc/72/10/12/579721012.db2.gz LCOQWMHLQFSZJT-LJQANCHMSA-N 2 1 345.487 1.680 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000749304704 579721013 /nfs/dbraw/zinc/72/10/13/579721013.db2.gz LCOQWMHLQFSZJT-LJQANCHMSA-N 2 1 345.487 1.680 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NC[C@H]1CCCO1 ZINC000751011849 579791174 /nfs/dbraw/zinc/79/11/74/579791174.db2.gz PLVCHSFVRWUEED-JKSUJKDBSA-N 2 1 342.553 1.388 20 0 EDADMP CC(C)C[C@H]1CCC(=O)N(C[N@@H+]2CC[C@H](c3nccn3C)C2)C1=O ZINC000755789453 579935104 /nfs/dbraw/zinc/93/51/04/579935104.db2.gz NGWIZBWBMAYKSZ-CABCVRRESA-N 2 1 332.448 1.978 20 0 EDADMP CC(C)C[C@H]1CCC(=O)N(C[N@H+]2CC[C@H](c3nccn3C)C2)C1=O ZINC000755789453 579935105 /nfs/dbraw/zinc/93/51/05/579935105.db2.gz NGWIZBWBMAYKSZ-CABCVRRESA-N 2 1 332.448 1.978 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCC(N)=O)cc2)CCCO1 ZINC000762483711 580075306 /nfs/dbraw/zinc/07/53/06/580075306.db2.gz XAAGMTQTFYGYKC-OAHLLOKOSA-N 2 1 335.448 1.141 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(NC)s1 ZINC000764099514 580113343 /nfs/dbraw/zinc/11/33/43/580113343.db2.gz AEKJHUKZIUUHRP-CYBMUJFWSA-N 2 1 339.509 1.673 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000765790623 580151416 /nfs/dbraw/zinc/15/14/16/580151416.db2.gz GJJXZJSWMWYJCZ-OKYOBFRVSA-N 2 1 339.524 1.576 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000765790623 580151417 /nfs/dbraw/zinc/15/14/17/580151417.db2.gz GJJXZJSWMWYJCZ-OKYOBFRVSA-N 2 1 339.524 1.576 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000765790623 580151418 /nfs/dbraw/zinc/15/14/18/580151418.db2.gz GJJXZJSWMWYJCZ-OKYOBFRVSA-N 2 1 339.524 1.576 20 0 EDADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000778984131 580477423 /nfs/dbraw/zinc/47/74/23/580477423.db2.gz UGRADXIDGZODEV-JYJNAYRXSA-N 2 1 341.496 1.678 20 0 EDADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000778984131 580477424 /nfs/dbraw/zinc/47/74/24/580477424.db2.gz UGRADXIDGZODEV-JYJNAYRXSA-N 2 1 341.496 1.678 20 0 EDADMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000788769821 580729381 /nfs/dbraw/zinc/72/93/81/580729381.db2.gz GAJNTZUKNHNNTE-SFHVURJKSA-N 2 1 343.471 1.835 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000788769821 580729382 /nfs/dbraw/zinc/72/93/82/580729382.db2.gz GAJNTZUKNHNNTE-SFHVURJKSA-N 2 1 343.471 1.835 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=S)NCCC[NH+](C)C ZINC000795163633 580914837 /nfs/dbraw/zinc/91/48/37/580914837.db2.gz IMBPZDYGFGMVMY-UHFFFAOYSA-N 2 1 326.510 1.860 20 0 EDADMP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000796567623 580956683 /nfs/dbraw/zinc/95/66/83/580956683.db2.gz NAVFGODJBUHUAJ-AWEZNQCLSA-N 2 1 331.416 1.698 20 0 EDADMP Cc1cc(N)nc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)[nH+]1 ZINC000893119597 590669553 /nfs/dbraw/zinc/66/95/53/590669553.db2.gz VZLULSRNQSLDDU-INIZCTEOSA-N 2 1 327.432 1.936 20 0 EDADMP C[N@@H+](CCCCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1CC1 ZINC000891954757 590705682 /nfs/dbraw/zinc/70/56/82/590705682.db2.gz UURYXNWOSADYOG-QGZVFWFLSA-N 2 1 330.476 1.875 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000892130769 590815409 /nfs/dbraw/zinc/81/54/09/590815409.db2.gz SBTBDFRRACZPME-INIZCTEOSA-N 2 1 345.491 1.687 20 0 EDADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000891007668 590909740 /nfs/dbraw/zinc/90/97/40/590909740.db2.gz JRSUVPAURZVMEY-UHFFFAOYSA-N 2 1 346.475 1.282 20 0 EDADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000891007668 590909742 /nfs/dbraw/zinc/90/97/42/590909742.db2.gz JRSUVPAURZVMEY-UHFFFAOYSA-N 2 1 346.475 1.282 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000892294360 590919735 /nfs/dbraw/zinc/91/97/35/590919735.db2.gz KFHNCJRUZDWXOB-BPQIPLTHSA-N 2 1 346.475 1.042 20 0 EDADMP CN1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+](C)CC1 ZINC000888985416 590955960 /nfs/dbraw/zinc/95/59/60/590955960.db2.gz XJNBNLKUFIAKLN-GOSISDBHSA-N 2 1 332.492 1.385 20 0 EDADMP C[NH+]1CCC[C@H](CNc2nccc(NC[C@H]3CCC[N@H+](C)C3)n2)C1 ZINC000892421898 591021545 /nfs/dbraw/zinc/02/15/45/591021545.db2.gz QHDIWQRBQSLQJW-HZPDHXFCSA-N 3 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@H](CNc2nc(NC[C@H]3CCC[N@@H+](C)C3)cc[nH+]2)C1 ZINC000892421898 591021560 /nfs/dbraw/zinc/02/15/60/591021560.db2.gz QHDIWQRBQSLQJW-HZPDHXFCSA-N 3 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@H](CNc2nc(NC[C@H]3CCC[N@H+](C)C3)cc[nH+]2)C1 ZINC000892421898 591021565 /nfs/dbraw/zinc/02/15/65/591021565.db2.gz QHDIWQRBQSLQJW-HZPDHXFCSA-N 3 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@H](CNc2cc[nH+]c(NC[C@H]3CCC[N@H+](C)C3)n2)C1 ZINC000892421898 591021570 /nfs/dbraw/zinc/02/15/70/591021570.db2.gz QHDIWQRBQSLQJW-HZPDHXFCSA-N 3 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@H](CNc2cc[nH+]c(NC[C@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000892421898 591021575 /nfs/dbraw/zinc/02/15/75/591021575.db2.gz QHDIWQRBQSLQJW-HZPDHXFCSA-N 3 1 332.496 1.984 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)[C@H]1OC ZINC000892451983 591032534 /nfs/dbraw/zinc/03/25/34/591032534.db2.gz FPRIZNMANOAUMI-IPMKNSEASA-N 2 1 334.460 1.801 20 0 EDADMP CN(C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000893742931 591072927 /nfs/dbraw/zinc/07/29/27/591072927.db2.gz MZYCROINRMLWMW-YESZJQIVSA-N 2 1 338.496 1.100 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891546833 591117305 /nfs/dbraw/zinc/11/73/05/591117305.db2.gz PSMMYNMSGPCLOJ-HNNXBMFYSA-N 2 1 340.537 1.647 20 0 EDADMP C[C@H](CNC(=O)NCC[C@@H]([NH3+])Cc1ccccc1)C[NH+]1CCOCC1 ZINC000891584074 591136305 /nfs/dbraw/zinc/13/63/05/591136305.db2.gz OVCSBAPJRNHOEW-SJLPKXTDSA-N 2 1 348.491 1.214 20 0 EDADMP C[NH+]1CCC(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)(N2CCCCC2)CC1 ZINC000891605790 591146894 /nfs/dbraw/zinc/14/68/94/591146894.db2.gz IMQDKTMRHBUFRE-CALCHBBNSA-N 2 1 349.523 1.083 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)n1C ZINC000891652948 591169949 /nfs/dbraw/zinc/16/99/49/591169949.db2.gz AGWWTCLUJVZSNA-OAHLLOKOSA-N 2 1 344.463 1.245 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)C[N@H+]1C1CC1 ZINC000891659335 591172095 /nfs/dbraw/zinc/17/20/95/591172095.db2.gz DTBOQEXZGOEGAU-HYVNUMGLSA-N 2 1 330.476 1.871 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C[N@H+]1C1CC1 ZINC000891658913 591172320 /nfs/dbraw/zinc/17/23/20/591172320.db2.gz AUFBNUIOUCRSPY-XYPHTWIQSA-N 2 1 328.460 1.625 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000892817146 591190423 /nfs/dbraw/zinc/19/04/23/591190423.db2.gz AGPCDXOKQMZHQP-HUUCEWRRSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000892858643 591207377 /nfs/dbraw/zinc/20/73/77/591207377.db2.gz MTMFHKHJVYEJLS-IYBDPMFKSA-N 2 1 339.528 1.314 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1ncnc2sc(NC[C@@H]3CC[N@@H+]3C)nc21 ZINC000895769242 591268879 /nfs/dbraw/zinc/26/88/79/591268879.db2.gz PCLPTWYPQZNBNY-MNOVXSKESA-N 2 1 333.465 1.318 20 0 EDADMP C[NH+]1CC[C@H]1CNc1nc2c(ncnc2NC[C@H]2CC[N@@H+]2C)s1 ZINC000895769242 591268881 /nfs/dbraw/zinc/26/88/81/591268881.db2.gz PCLPTWYPQZNBNY-MNOVXSKESA-N 2 1 333.465 1.318 20 0 EDADMP C[NH+]1CC[C@H]1CNc1nc2c(ncnc2NC[C@H]2CC[N@H+]2C)s1 ZINC000895769242 591268883 /nfs/dbraw/zinc/26/88/83/591268883.db2.gz PCLPTWYPQZNBNY-MNOVXSKESA-N 2 1 333.465 1.318 20 0 EDADMP C[NH+]1CCN(C2CC[NH+](Cc3cccc4[nH]c(=O)oc43)CC2)CC1 ZINC000895845995 591286683 /nfs/dbraw/zinc/28/66/83/591286683.db2.gz QVJHQWJFBYTXGX-UHFFFAOYSA-N 2 1 330.432 1.745 20 0 EDADMP CC1(C)CC[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000895851820 591287665 /nfs/dbraw/zinc/28/76/65/591287665.db2.gz WRKXIUKYFALXKV-MRXNPFEDSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895850798 591287885 /nfs/dbraw/zinc/28/78/85/591287885.db2.gz KYWJSKPYFUAXAP-YESZJQIVSA-N 2 1 336.480 1.118 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000895900326 591300071 /nfs/dbraw/zinc/30/00/71/591300071.db2.gz FGFOGHHIQJODRZ-QZTJIDSGSA-N 2 1 334.508 1.987 20 0 EDADMP CN(CCC[N@@H+](C)[C@H]1CCC2(C[C@@H]1F)OCCO2)CC[NH+](C)C ZINC000894523777 591332626 /nfs/dbraw/zinc/33/26/26/591332626.db2.gz NBXHHLIOSQNMRC-HOTGVXAUSA-N 2 1 331.476 1.435 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4C)cn2)CC1 ZINC000896117315 591349356 /nfs/dbraw/zinc/34/93/56/591349356.db2.gz LVAOVBUHLLUKCA-IRXDYDNUSA-N 2 1 346.479 1.850 20 0 EDADMP CN1Cc2ccccc2[C@H]1CNC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000896241299 591398100 /nfs/dbraw/zinc/39/81/00/591398100.db2.gz XUUKOAJHRPWJFN-GOSISDBHSA-N 2 1 345.491 1.062 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896375389 591442886 /nfs/dbraw/zinc/44/28/86/591442886.db2.gz IJCRIGFGTLZWFU-OALUTQOASA-N 2 1 343.471 1.488 20 0 EDADMP Cc1[nH+]ccc(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1Br ZINC000894863668 591449577 /nfs/dbraw/zinc/44/95/77/591449577.db2.gz UFOGWIKNGVQRRC-NSHDSACASA-N 2 1 328.254 1.832 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000897483237 591489640 /nfs/dbraw/zinc/48/96/40/591489640.db2.gz MRHKKMPRGLBQCP-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000898992038 591623972 /nfs/dbraw/zinc/62/39/72/591623972.db2.gz SQEIBTBOVSWDDD-PMPSAXMXSA-N 2 1 328.501 1.059 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000898993407 591633444 /nfs/dbraw/zinc/63/34/44/591633444.db2.gz PTVUYHVMPUKHQY-PMPSAXMXSA-N 2 1 328.501 1.059 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897738420 591657275 /nfs/dbraw/zinc/65/72/75/591657275.db2.gz BAIFCFORERLSFX-UHFFFAOYSA-N 2 1 343.471 1.440 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)NCCN1CCC2(C1)OCCO2 ZINC000899058868 591658233 /nfs/dbraw/zinc/65/82/33/591658233.db2.gz XXRQZJJYYSPIOG-UHFFFAOYSA-N 2 1 327.469 1.064 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000899224053 591741216 /nfs/dbraw/zinc/74/12/16/591741216.db2.gz MHFHPRMGNGLTPH-CQSZACIVSA-N 2 1 345.447 1.128 20 0 EDADMP O=C(C1C[NH+](C2CCOCC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000895439567 591758644 /nfs/dbraw/zinc/75/86/44/591758644.db2.gz HJIQMRMBRLKFFF-UHFFFAOYSA-N 2 1 343.471 1.442 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NC2CC([NH+]3CCOCC3)C2)[C@@H]1c1ccccc1 ZINC000898094040 591775351 /nfs/dbraw/zinc/77/53/51/591775351.db2.gz AUTNVRSSXRWMGX-BTRQGYIVSA-N 2 1 343.471 1.659 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC([NH+]3CCOCC3)C2)[C@@H]1c1ccccc1 ZINC000898094040 591775354 /nfs/dbraw/zinc/77/53/54/591775354.db2.gz AUTNVRSSXRWMGX-BTRQGYIVSA-N 2 1 343.471 1.659 20 0 EDADMP CN1CCC[C@@H]1c1cc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)[nH]n1 ZINC000897235967 591781188 /nfs/dbraw/zinc/78/11/88/591781188.db2.gz VITMAFYHPNZNFW-WMLDXEAASA-N 2 1 349.479 1.143 20 0 EDADMP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898110102 591785863 /nfs/dbraw/zinc/78/58/63/591785863.db2.gz NZLGSYLRXOZYOV-KRWDZBQOSA-N 2 1 335.492 1.356 20 0 EDADMP Cc1cccc2nc(CCNC(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)cn21 ZINC000895533380 591791436 /nfs/dbraw/zinc/79/14/36/591791436.db2.gz HUBCHCDLAUMZOE-GDBMZVCRSA-N 2 1 327.432 1.531 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000899961404 591840034 /nfs/dbraw/zinc/84/00/34/591840034.db2.gz OSLAAXXVGWOTSP-QAPCUYQASA-N 2 1 335.448 1.380 20 0 EDADMP C[C@H](C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1)N1CC[NH+](C)CC1 ZINC000898298594 591863280 /nfs/dbraw/zinc/86/32/80/591863280.db2.gz QHVRPBDNHMNHGE-OAHLLOKOSA-N 2 1 339.443 1.822 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000900106622 591909145 /nfs/dbraw/zinc/90/91/45/591909145.db2.gz PHPAEOUMQHZYPE-QUCCMNQESA-N 2 1 345.487 1.787 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000900203675 591940851 /nfs/dbraw/zinc/94/08/51/591940851.db2.gz FKBVTHLTIJEPNB-ROUUACIJSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000900203675 591940854 /nfs/dbraw/zinc/94/08/54/591940854.db2.gz FKBVTHLTIJEPNB-ROUUACIJSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000900203675 591940855 /nfs/dbraw/zinc/94/08/55/591940855.db2.gz FKBVTHLTIJEPNB-ROUUACIJSA-N 2 1 338.540 1.639 20 0 EDADMP Cn1ccnc1[C@H]1CC[N@H+](CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902201729 591944479 /nfs/dbraw/zinc/94/44/79/591944479.db2.gz QAYNWGRSTRBLGO-FACIQBDNSA-N 2 1 340.427 1.364 20 0 EDADMP Cn1ccnc1[C@H]1CC[N@@H+](CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902201729 591944481 /nfs/dbraw/zinc/94/44/81/591944481.db2.gz QAYNWGRSTRBLGO-FACIQBDNSA-N 2 1 340.427 1.364 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)C2)CC1 ZINC000900453935 592021804 /nfs/dbraw/zinc/02/18/04/592021804.db2.gz QCMAZBQAYYSBNC-JENIJYKNSA-N 2 1 337.508 1.412 20 0 EDADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900597658 592064362 /nfs/dbraw/zinc/06/43/62/592064362.db2.gz KOHQYBJYMQXAJV-OAHLLOKOSA-N 2 1 330.436 1.427 20 0 EDADMP Cc1ccc(NC(=O)CONC(=[NH2+])[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1C ZINC000902811264 592069207 /nfs/dbraw/zinc/06/92/07/592069207.db2.gz OYRMSKCUAMUBCZ-JKSUJKDBSA-N 2 1 346.431 1.604 20 0 EDADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900744256 592115929 /nfs/dbraw/zinc/11/59/29/592115929.db2.gz CXYOPAKTYNOIKE-RGVPCPSESA-N 2 1 349.519 1.963 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C[C@@H]1C(F)(F)F ZINC000903093765 592121865 /nfs/dbraw/zinc/12/18/65/592121865.db2.gz UOSFIMJXMFGFIY-LOWDOPEQSA-N 2 1 340.386 1.409 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C12CC[NH+](CC1)C2 ZINC000900782922 592122769 /nfs/dbraw/zinc/12/27/69/592122769.db2.gz KRKVMGSMVIJMBE-UHFFFAOYSA-N 2 1 342.487 1.363 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)[C@@H](C)C1 ZINC000903191175 592136552 /nfs/dbraw/zinc/13/65/52/592136552.db2.gz PAYLQMOYOJQXJW-LSDHHAIUSA-N 2 1 345.553 1.947 20 0 EDADMP COC[C@H](C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C(C)C ZINC000903460101 592171714 /nfs/dbraw/zinc/17/17/14/592171714.db2.gz XCRWXJHKFQEGDA-USXIJHARSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@@H](c1ncccn1)[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000903464257 592172363 /nfs/dbraw/zinc/17/23/63/592172363.db2.gz FGURAUSBGHKFSZ-LSDHHAIUSA-N 2 1 341.463 1.550 20 0 EDADMP C[C@@H](c1ncccn1)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000903464257 592172364 /nfs/dbraw/zinc/17/23/64/592172364.db2.gz FGURAUSBGHKFSZ-LSDHHAIUSA-N 2 1 341.463 1.550 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCC(=O)Nc1ccccc1)C2 ZINC000903491793 592185044 /nfs/dbraw/zinc/18/50/44/592185044.db2.gz AYHNIZUDRQLQSB-IYOUNJFTSA-N 2 1 331.416 1.228 20 0 EDADMP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495885 592187572 /nfs/dbraw/zinc/18/75/72/592187572.db2.gz AZWZDHIURABJKN-MGPQQGTHSA-N 2 1 330.432 1.277 20 0 EDADMP O=C1CC[C@@H]([NH2+]Cc2nc3c(o2)CCCC3)[C@H](C2CC[NH2+]CC2)N1 ZINC000903526817 592189157 /nfs/dbraw/zinc/18/91/57/592189157.db2.gz POOMBDAMSYKPJI-KDOFPFPSSA-N 2 1 332.448 1.290 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1OC ZINC000904405083 592250360 /nfs/dbraw/zinc/25/03/60/592250360.db2.gz IVSMNQYZVCTYOR-CQSZACIVSA-N 2 1 335.448 1.381 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000901134846 592252220 /nfs/dbraw/zinc/25/22/20/592252220.db2.gz IYYDHAIORODDTG-ROUUACIJSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000901134846 592252223 /nfs/dbraw/zinc/25/22/23/592252223.db2.gz IYYDHAIORODDTG-ROUUACIJSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000901134846 592252226 /nfs/dbraw/zinc/25/22/26/592252226.db2.gz IYYDHAIORODDTG-ROUUACIJSA-N 2 1 336.524 1.345 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416935 592252696 /nfs/dbraw/zinc/25/26/96/592252696.db2.gz UJESUHNUMOWFKH-WMZOPIPTSA-N 2 1 346.523 1.804 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@@H](C3CCOCC3)C2)cnn1C ZINC000904432931 592255980 /nfs/dbraw/zinc/25/59/80/592255980.db2.gz JBYOMIKEBLOJLJ-FUHWJXTLSA-N 2 1 334.508 1.985 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000904509707 592273335 /nfs/dbraw/zinc/27/33/35/592273335.db2.gz JYWINTUYHBGAKO-DLBZAZTESA-N 2 1 332.448 1.469 20 0 EDADMP CCC(CC)C(=O)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903724666 592284152 /nfs/dbraw/zinc/28/41/52/592284152.db2.gz PJIKLLJUHCUCML-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP O=C(C1CCCCC1)N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903725267 592284770 /nfs/dbraw/zinc/28/47/70/592284770.db2.gz AKQJXBBZDSOPTI-SFHVURJKSA-N 2 1 349.519 1.870 20 0 EDADMP CC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000903729085 592285684 /nfs/dbraw/zinc/28/56/84/592285684.db2.gz JQDSOKFRKUCJFT-NSHGMRRFSA-N 2 1 343.471 1.882 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000901236887 592297489 /nfs/dbraw/zinc/29/74/89/592297489.db2.gz ZFHGHJVXUIYALN-FUHWJXTLSA-N 2 1 341.459 1.620 20 0 EDADMP c1cc2c(cc1-c1nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no1)OCC[NH2+]C2 ZINC000904638659 592300145 /nfs/dbraw/zinc/30/01/45/592300145.db2.gz QOAZWQAVZNBVKW-HOCLYGCPSA-N 2 1 342.399 1.754 20 0 EDADMP Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903739686 592301968 /nfs/dbraw/zinc/30/19/68/592301968.db2.gz OEVCUULWKBRCKE-FGTMMUONSA-N 2 1 333.480 1.376 20 0 EDADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903763226 592307254 /nfs/dbraw/zinc/30/72/54/592307254.db2.gz IWMPJGGTMCJOKV-DOMZBBRYSA-N 2 1 349.397 1.146 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCOCC)[C@H](C)C2)C1 ZINC000906727343 592315523 /nfs/dbraw/zinc/31/55/23/592315523.db2.gz LMIOVQWWPVKIDH-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCOCC)[C@H](C)C2)C1 ZINC000906727343 592315528 /nfs/dbraw/zinc/31/55/28/592315528.db2.gz LMIOVQWWPVKIDH-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](CCOCC)[C@H](C)C2)C1 ZINC000906727343 592315532 /nfs/dbraw/zinc/31/55/32/592315532.db2.gz LMIOVQWWPVKIDH-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@@H+](CCOCC)[C@H](C)C2)C1 ZINC000906727343 592315535 /nfs/dbraw/zinc/31/55/35/592315535.db2.gz LMIOVQWWPVKIDH-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cn1 ZINC000903784481 592322370 /nfs/dbraw/zinc/32/23/70/592322370.db2.gz PYRXCIWBXUWGMX-FWCIAMDOSA-N 2 1 330.476 1.899 20 0 EDADMP CCOc1ccc(OC[C@H](O)C[N@H+](C)C2(C[NH3+])CCOCC2)cc1 ZINC000903809841 592331542 /nfs/dbraw/zinc/33/15/42/592331542.db2.gz NCRVTXAJDCXBHC-OAHLLOKOSA-N 2 1 338.448 1.265 20 0 EDADMP CCOc1ccc(OC[C@H](O)C[N@@H+](C)C2(C[NH3+])CCOCC2)cc1 ZINC000903809841 592331548 /nfs/dbraw/zinc/33/15/48/592331548.db2.gz NCRVTXAJDCXBHC-OAHLLOKOSA-N 2 1 338.448 1.265 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCc3[nH]c4ccccc4c3C1)C2 ZINC000903845572 592344004 /nfs/dbraw/zinc/34/40/04/592344004.db2.gz IZVUENMLXMITKU-KKUMJFAQSA-N 2 1 338.455 1.864 20 0 EDADMP COc1ccc(OCC[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903877374 592358067 /nfs/dbraw/zinc/35/80/67/592358067.db2.gz NNEQJKJDOAJKJH-OAHLLOKOSA-N 2 1 345.447 1.722 20 0 EDADMP COc1ccc(OCC[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903877374 592358072 /nfs/dbraw/zinc/35/80/72/592358072.db2.gz NNEQJKJDOAJKJH-OAHLLOKOSA-N 2 1 345.447 1.722 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](Cc2ccccc2)C[C@H](C)O)cnn1C ZINC000903884637 592362214 /nfs/dbraw/zinc/36/22/14/592362214.db2.gz FMFOIYMHPDPCTD-MAUKXSAKSA-N 2 1 330.476 1.729 20 0 EDADMP CN(CC[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903893068 592365900 /nfs/dbraw/zinc/36/59/00/592365900.db2.gz PROJMKOWQDZGCS-KRWDZBQOSA-N 2 1 328.464 1.771 20 0 EDADMP CN(CC[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903893068 592365907 /nfs/dbraw/zinc/36/59/07/592365907.db2.gz PROJMKOWQDZGCS-KRWDZBQOSA-N 2 1 328.464 1.771 20 0 EDADMP Cc1cnn([C@H]2CCC[N@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)c1 ZINC000903893278 592366589 /nfs/dbraw/zinc/36/65/89/592366589.db2.gz UIXILZNTAGNSKJ-AEFFLSMTSA-N 2 1 330.480 1.688 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000903909314 592373862 /nfs/dbraw/zinc/37/38/62/592373862.db2.gz TWDZVBGERHURHN-INIZCTEOSA-N 3 1 332.496 1.510 20 0 EDADMP C[NH+]1CCC2(CCCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000903909314 592373868 /nfs/dbraw/zinc/37/38/68/592373868.db2.gz TWDZVBGERHURHN-INIZCTEOSA-N 2 1 332.496 1.510 20 0 EDADMP c1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000903919865 592376868 /nfs/dbraw/zinc/37/68/68/592376868.db2.gz PWWJUIKSBMVTGM-UHFFFAOYSA-N 3 1 328.504 1.638 20 0 EDADMP O=C(c1ccc(NC2=[NH+]CCC2)cc1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000908199541 592377562 /nfs/dbraw/zinc/37/75/62/592377562.db2.gz GIIFNJYKGSPXSC-IRXDYDNUSA-N 2 1 342.443 1.572 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@H]2c2ccnn2C)cnn1C ZINC000903916589 592388581 /nfs/dbraw/zinc/38/85/81/592388581.db2.gz HYXSKVALRVNWCJ-QAPCUYQASA-N 2 1 330.480 1.807 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC[C@H]2c2ccnn2C)cnn1C ZINC000903916589 592388586 /nfs/dbraw/zinc/38/85/86/592388586.db2.gz HYXSKVALRVNWCJ-QAPCUYQASA-N 2 1 330.480 1.807 20 0 EDADMP [NH3+]C1CCN(Cc2cn([C@H]3CC[N@@H+](Cc4ccccc4)C3)nn2)CC1 ZINC000905057872 592395079 /nfs/dbraw/zinc/39/50/79/592395079.db2.gz ZSDHRHVHBXVLGT-IBGZPJMESA-N 2 1 340.475 1.648 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1c[nH]nc1-c1ccsc1)C2 ZINC000903977056 592398906 /nfs/dbraw/zinc/39/89/06/592398906.db2.gz HXSYOVIBQJFANG-VBQJREDUSA-N 2 1 346.456 1.851 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000906929726 592413260 /nfs/dbraw/zinc/41/32/60/592413260.db2.gz VSLMTVJNLKNCBN-UHFFFAOYSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)c2cccn2CCN2CCOCC2)C[N@H+]1C1CC1 ZINC000906941556 592420907 /nfs/dbraw/zinc/42/09/07/592420907.db2.gz NSZMJHFKAIUPGG-HZPDHXFCSA-N 2 1 346.475 1.175 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908524699 592520529 /nfs/dbraw/zinc/52/05/29/592520529.db2.gz HNGXUMRWCBQXKJ-WMZOPIPTSA-N 2 1 325.497 1.460 20 0 EDADMP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000905503251 592546163 /nfs/dbraw/zinc/54/61/63/592546163.db2.gz OESYEJQTWBDUTA-DUQPFJRNSA-N 2 1 328.497 1.089 20 0 EDADMP CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000905504803 592546817 /nfs/dbraw/zinc/54/68/17/592546817.db2.gz YGJIVLORWBNZDN-IEWDOMPSSA-N 2 1 342.524 1.623 20 0 EDADMP C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000907286461 592584704 /nfs/dbraw/zinc/58/47/04/592584704.db2.gz QLRQTWBYZRFIGU-JKSUJKDBSA-N 2 1 336.524 1.249 20 0 EDADMP C[C@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907286461 592584707 /nfs/dbraw/zinc/58/47/07/592584707.db2.gz QLRQTWBYZRFIGU-JKSUJKDBSA-N 2 1 336.524 1.249 20 0 EDADMP C[C@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000907286461 592584709 /nfs/dbraw/zinc/58/47/09/592584709.db2.gz QLRQTWBYZRFIGU-JKSUJKDBSA-N 2 1 336.524 1.249 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000907533907 592691721 /nfs/dbraw/zinc/69/17/21/592691721.db2.gz ZGELNQUNDWUIDY-HOJAQTOUSA-N 2 1 345.487 1.612 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000907533907 592691722 /nfs/dbraw/zinc/69/17/22/592691722.db2.gz ZGELNQUNDWUIDY-HOJAQTOUSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000907533907 592691724 /nfs/dbraw/zinc/69/17/24/592691724.db2.gz ZGELNQUNDWUIDY-HOJAQTOUSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000907533907 592691725 /nfs/dbraw/zinc/69/17/25/592691725.db2.gz ZGELNQUNDWUIDY-HOJAQTOUSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H](O)CN1CCCC1 ZINC000908996885 592703457 /nfs/dbraw/zinc/70/34/57/592703457.db2.gz UATIQFFRUVERFH-MAUKXSAKSA-N 2 1 329.448 1.717 20 0 EDADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H](O)CN1CCCC1 ZINC000908996885 592703461 /nfs/dbraw/zinc/70/34/61/592703461.db2.gz UATIQFFRUVERFH-MAUKXSAKSA-N 2 1 329.448 1.717 20 0 EDADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000908996885 592703478 /nfs/dbraw/zinc/70/34/78/592703478.db2.gz UATIQFFRUVERFH-MAUKXSAKSA-N 2 1 329.448 1.717 20 0 EDADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000908996885 592703479 /nfs/dbraw/zinc/70/34/79/592703479.db2.gz UATIQFFRUVERFH-MAUKXSAKSA-N 2 1 329.448 1.717 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000909207459 592769731 /nfs/dbraw/zinc/76/97/31/592769731.db2.gz ZTTGALJWJAKCTF-WZYMTQMTSA-N 2 1 337.464 1.003 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000909207459 592769735 /nfs/dbraw/zinc/76/97/35/592769735.db2.gz ZTTGALJWJAKCTF-WZYMTQMTSA-N 2 1 337.464 1.003 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000909207459 592769736 /nfs/dbraw/zinc/76/97/36/592769736.db2.gz ZTTGALJWJAKCTF-WZYMTQMTSA-N 2 1 337.464 1.003 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000909207459 592769740 /nfs/dbraw/zinc/76/97/40/592769740.db2.gz ZTTGALJWJAKCTF-WZYMTQMTSA-N 2 1 337.464 1.003 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000907878121 592825995 /nfs/dbraw/zinc/82/59/95/592825995.db2.gz YQRAFDUFRMCIOA-CABCVRRESA-N 2 1 327.469 1.108 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000907878121 592825997 /nfs/dbraw/zinc/82/59/97/592825997.db2.gz YQRAFDUFRMCIOA-CABCVRRESA-N 2 1 327.469 1.108 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000907878316 592826156 /nfs/dbraw/zinc/82/61/56/592826156.db2.gz QINTYOXMUDCHNJ-QGZVFWFLSA-N 2 1 326.529 1.639 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC000906489360 592831081 /nfs/dbraw/zinc/83/10/81/592831081.db2.gz SQERBSKWGPHGNG-ZACQAIPSSA-N 2 1 325.497 1.676 20 0 EDADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906658317 592864613 /nfs/dbraw/zinc/86/46/13/592864613.db2.gz XQFMTQLBDYPXKR-OAHLLOKOSA-N 2 1 341.415 1.280 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000910573576 592875962 /nfs/dbraw/zinc/87/59/62/592875962.db2.gz VTHJBWNVMOEJJZ-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000910573576 592875963 /nfs/dbraw/zinc/87/59/63/592875963.db2.gz VTHJBWNVMOEJJZ-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000912350578 593087965 /nfs/dbraw/zinc/08/79/65/593087965.db2.gz FCFNYRGFFJINHL-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000838303005 593153786 /nfs/dbraw/zinc/15/37/86/593153786.db2.gz RCLSASWPZQALDJ-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000838853113 593225729 /nfs/dbraw/zinc/22/57/29/593225729.db2.gz IVLBDEUHCUAWMO-IRXDYDNUSA-N 2 1 339.524 1.924 20 0 EDADMP CC[C@@H]1CCC[N@H+]1CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000839986600 593294165 /nfs/dbraw/zinc/29/41/65/593294165.db2.gz DXEYWFVNDTXSBN-KURKYZTESA-N 2 1 341.455 1.935 20 0 EDADMP CC[C@@H]1CCC[NH+]1CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000839986600 593294167 /nfs/dbraw/zinc/29/41/67/593294167.db2.gz DXEYWFVNDTXSBN-KURKYZTESA-N 2 1 341.455 1.935 20 0 EDADMP CC[C@@H]1CCC[NH+]1CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000839986600 593294169 /nfs/dbraw/zinc/29/41/69/593294169.db2.gz DXEYWFVNDTXSBN-KURKYZTESA-N 2 1 341.455 1.935 20 0 EDADMP COc1ccc([C@H](O)C2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000812858051 593511093 /nfs/dbraw/zinc/51/10/93/593511093.db2.gz WSUMAKNDCARKIU-ICSRJNTNSA-N 2 1 348.487 1.897 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000813821550 593556629 /nfs/dbraw/zinc/55/66/29/593556629.db2.gz VPZLPENZKFQQPO-IEBWSBKVSA-N 2 1 342.487 1.997 20 0 EDADMP C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2)C1=O ZINC000817929519 593649673 /nfs/dbraw/zinc/64/96/73/593649673.db2.gz PLBVDBUBUUIPTE-TXPKVOOTSA-N 2 1 342.443 1.881 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000818997864 593733042 /nfs/dbraw/zinc/73/30/42/593733042.db2.gz MUAUQLAKEIQZMH-DLBZAZTESA-N 2 1 337.439 1.391 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000818997864 593733043 /nfs/dbraw/zinc/73/30/43/593733043.db2.gz MUAUQLAKEIQZMH-DLBZAZTESA-N 2 1 337.439 1.391 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(F)ccc1F ZINC000819172861 593742898 /nfs/dbraw/zinc/74/28/98/593742898.db2.gz GNZXOTFYDFRGPT-RCCFBDPRSA-N 2 1 340.414 1.966 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)CCc1ccncc1 ZINC000820068099 593788181 /nfs/dbraw/zinc/78/81/81/593788181.db2.gz HMVZFRKGFSQGJV-INIZCTEOSA-N 2 1 335.496 1.538 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)CCc1ccncc1 ZINC000820068099 593788182 /nfs/dbraw/zinc/78/81/82/593788182.db2.gz HMVZFRKGFSQGJV-INIZCTEOSA-N 2 1 335.496 1.538 20 0 EDADMP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673348 593830103 /nfs/dbraw/zinc/83/01/03/593830103.db2.gz LDUXENFZMMCSOY-WMLDXEAASA-N 2 1 342.447 1.318 20 0 EDADMP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673348 593830105 /nfs/dbraw/zinc/83/01/05/593830105.db2.gz LDUXENFZMMCSOY-WMLDXEAASA-N 2 1 342.447 1.318 20 0 EDADMP O=S(=O)(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000820809113 593895001 /nfs/dbraw/zinc/89/50/01/593895001.db2.gz UIKXPUCMXZDLKE-ZXFUBFMLSA-N 2 1 349.500 1.712 20 0 EDADMP O=S(=O)(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000820809113 593895005 /nfs/dbraw/zinc/89/50/05/593895005.db2.gz UIKXPUCMXZDLKE-ZXFUBFMLSA-N 2 1 349.500 1.712 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000824200065 593954450 /nfs/dbraw/zinc/95/44/50/593954450.db2.gz AUAHTQGJYCECOD-OALUTQOASA-N 2 1 343.471 1.584 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821088131 593963011 /nfs/dbraw/zinc/96/30/11/593963011.db2.gz KACHZDXKGSNLDM-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821088131 593963013 /nfs/dbraw/zinc/96/30/13/593963013.db2.gz KACHZDXKGSNLDM-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821088131 593963016 /nfs/dbraw/zinc/96/30/16/593963016.db2.gz KACHZDXKGSNLDM-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821088131 593963020 /nfs/dbraw/zinc/96/30/20/593963020.db2.gz KACHZDXKGSNLDM-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189630 593986034 /nfs/dbraw/zinc/98/60/34/593986034.db2.gz QQAKKFFCVBKTTO-KRWDZBQOSA-N 2 1 344.463 1.799 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000825411722 594181291 /nfs/dbraw/zinc/18/12/91/594181291.db2.gz DPAIIWLMDFOGFR-ZDUSSCGKSA-N 2 1 334.424 1.392 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000825411722 594181293 /nfs/dbraw/zinc/18/12/93/594181293.db2.gz DPAIIWLMDFOGFR-ZDUSSCGKSA-N 2 1 334.424 1.392 20 0 EDADMP C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000830302041 594371498 /nfs/dbraw/zinc/37/14/98/594371498.db2.gz YWWXXSRVWCHMLY-ZVZYQTTQSA-N 2 1 335.423 1.094 20 0 EDADMP C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000830302041 594371501 /nfs/dbraw/zinc/37/15/01/594371501.db2.gz YWWXXSRVWCHMLY-ZVZYQTTQSA-N 2 1 335.423 1.094 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC000828956268 594537270 /nfs/dbraw/zinc/53/72/70/594537270.db2.gz LFDBPAIRTLJMNQ-ZIAGYGMSSA-N 2 1 340.855 1.270 20 0 EDADMP C[NH+]1CCC(OCC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000826634483 594543949 /nfs/dbraw/zinc/54/39/49/594543949.db2.gz HARBZQHYLMNMHP-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@]1(F)CC[NH2+]C1 ZINC000829225063 594584252 /nfs/dbraw/zinc/58/42/52/594584252.db2.gz BKIUSBNCILDRSF-RGPMPMONSA-N 2 1 331.435 2.000 20 0 EDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000829266937 594590068 /nfs/dbraw/zinc/59/00/68/594590068.db2.gz DZGANRXGCNTHAK-HNNXBMFYSA-N 2 1 341.496 1.822 20 0 EDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000829266937 594590070 /nfs/dbraw/zinc/59/00/70/594590070.db2.gz DZGANRXGCNTHAK-HNNXBMFYSA-N 2 1 341.496 1.822 20 0 EDADMP C[C@@H](C(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000827462333 594674466 /nfs/dbraw/zinc/67/44/66/594674466.db2.gz MZQKMSOCRUKQQG-BBWFWOEESA-N 2 1 336.524 1.486 20 0 EDADMP C[C@]1(CNC(=O)NCC[NH2+]C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841895294 594975926 /nfs/dbraw/zinc/97/59/26/594975926.db2.gz BZPSPYBYCWYRFA-LJQANCHMSA-N 2 1 330.476 1.950 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)CC[N@H+]1C ZINC000843328867 595075482 /nfs/dbraw/zinc/07/54/82/595075482.db2.gz PTOSGDXIEPPBIT-CXAGYDPISA-N 2 1 345.443 1.874 20 0 EDADMP C[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)C1CCC([NH3+])CC1 ZINC000843354998 595085580 /nfs/dbraw/zinc/08/55/80/595085580.db2.gz IFVYNPPWSKCZMY-UHFFFAOYSA-N 2 1 341.477 1.766 20 0 EDADMP C[NH+]1CCN([C@@H](c2nc([C@@H]3CCC[NH2+]C3)no2)c2ccccc2)CC1 ZINC000842669056 595165829 /nfs/dbraw/zinc/16/58/29/595165829.db2.gz PZBLZKPFKYCCJM-IAGOWNOFSA-N 2 1 341.459 1.873 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000834848917 595230328 /nfs/dbraw/zinc/23/03/28/595230328.db2.gz KSVSULIFBMFVGF-AEFFLSMTSA-N 2 1 325.497 1.853 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000844165377 595288429 /nfs/dbraw/zinc/28/84/29/595288429.db2.gz FDGHBFNPHRELCJ-XJKSGUPXSA-N 2 1 339.867 1.828 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000844175387 595292363 /nfs/dbraw/zinc/29/23/63/595292363.db2.gz LWIAPFCAOBCFMM-MRXNPFEDSA-N 2 1 330.432 1.140 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000846699358 595303720 /nfs/dbraw/zinc/30/37/20/595303720.db2.gz MMVYQLQWKFIORE-BRWVUGGUSA-N 2 1 334.464 1.859 20 0 EDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844226543 595309738 /nfs/dbraw/zinc/30/97/38/595309738.db2.gz NNCPURCWQKAXMA-QGZVFWFLSA-N 2 1 348.491 1.815 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000847293796 595389097 /nfs/dbraw/zinc/38/90/97/595389097.db2.gz IASRZVSBGXZSQY-IYBDPMFKSA-N 2 1 342.447 1.715 20 0 EDADMP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000847311833 595393568 /nfs/dbraw/zinc/39/35/68/595393568.db2.gz ISTXIUAWCJMKHR-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000847406175 595412561 /nfs/dbraw/zinc/41/25/61/595412561.db2.gz BKESPEGAQXDYJQ-GBESFXJTSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000847406175 595412564 /nfs/dbraw/zinc/41/25/64/595412564.db2.gz BKESPEGAQXDYJQ-GBESFXJTSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000847406175 595412567 /nfs/dbraw/zinc/41/25/67/595412567.db2.gz BKESPEGAQXDYJQ-GBESFXJTSA-N 2 1 343.471 1.488 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)COC)c1 ZINC000849061661 595476667 /nfs/dbraw/zinc/47/66/67/595476667.db2.gz WSNRBARNVNBCBW-MRXNPFEDSA-N 2 1 347.463 1.370 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)COc1cccc(C)c1 ZINC000849068167 595477512 /nfs/dbraw/zinc/47/75/12/595477512.db2.gz LRAYWZZBHCXSIQ-JKSUJKDBSA-N 2 1 334.464 1.333 20 0 EDADMP [NH2+]=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCSCC1 ZINC000849073236 595478208 /nfs/dbraw/zinc/47/82/08/595478208.db2.gz YGJKZTWMNWKFOK-UHFFFAOYSA-N 2 1 348.520 1.167 20 0 EDADMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000849099112 595481606 /nfs/dbraw/zinc/48/16/06/595481606.db2.gz KEOQTEDZIUYTPI-ZDUSSCGKSA-N 2 1 336.436 1.608 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849481891 595546709 /nfs/dbraw/zinc/54/67/09/595546709.db2.gz OJKXDAQCTWZRHI-IRXDYDNUSA-N 2 1 333.480 1.008 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC[NH+](C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849481891 595546712 /nfs/dbraw/zinc/54/67/12/595546712.db2.gz OJKXDAQCTWZRHI-IRXDYDNUSA-N 2 1 333.480 1.008 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)C[NH+]1CCCC1 ZINC000849501802 595553425 /nfs/dbraw/zinc/55/34/25/595553425.db2.gz AUOGJSBCWSJNQX-KBAYOESNSA-N 2 1 347.507 1.304 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC[NH+](C)CC2(C)C)cn1 ZINC000849574113 595576448 /nfs/dbraw/zinc/57/64/48/595576448.db2.gz WHJJZTFTBFBNDC-HZPDHXFCSA-N 2 1 333.480 1.008 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@H]2C(=O)N2CC[N@H+](C)CC2(C)C)cn1 ZINC000849574113 595576449 /nfs/dbraw/zinc/57/64/49/595576449.db2.gz WHJJZTFTBFBNDC-HZPDHXFCSA-N 2 1 333.480 1.008 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@H]2C(=O)N2CC[N@@H+](C)CC2(C)C)cn1 ZINC000849574113 595576450 /nfs/dbraw/zinc/57/64/50/595576450.db2.gz WHJJZTFTBFBNDC-HZPDHXFCSA-N 2 1 333.480 1.008 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852868429 595587466 /nfs/dbraw/zinc/58/74/66/595587466.db2.gz FDHBXBCDLGKGCR-MRXNPFEDSA-N 2 1 343.475 1.018 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852870527 595590529 /nfs/dbraw/zinc/59/05/29/595590529.db2.gz DGWXDCIJHKGPDA-BMFZPTHFSA-N 2 1 330.432 1.117 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000852873202 595592290 /nfs/dbraw/zinc/59/22/90/595592290.db2.gz QNRYFOWRFUKQGJ-IAGOWNOFSA-N 2 1 332.448 1.131 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NC2CC([NH+](C)C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849613404 595596463 /nfs/dbraw/zinc/59/64/63/595596463.db2.gz QRKVMWRKLDPHHQ-OPQOLIRYSA-N 2 1 347.507 1.443 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)C2=NO[C@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000852888022 595599545 /nfs/dbraw/zinc/59/95/45/595599545.db2.gz GYLHJKKHAKZHEP-PVAVHDDUSA-N 2 1 344.459 1.507 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](O)c1ccc(Cl)cc1 ZINC000855346727 595681642 /nfs/dbraw/zinc/68/16/42/595681642.db2.gz KEUSAVKORNXYAN-BBRMVZONSA-N 2 1 341.883 1.762 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](O)c1ccc(Cl)cc1 ZINC000855346727 595681645 /nfs/dbraw/zinc/68/16/45/595681645.db2.gz KEUSAVKORNXYAN-BBRMVZONSA-N 2 1 341.883 1.762 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000858192586 595725416 /nfs/dbraw/zinc/72/54/16/595725416.db2.gz LHIXYWDNYBLLSN-GVDBMIGSSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000858192586 595725419 /nfs/dbraw/zinc/72/54/19/595725419.db2.gz LHIXYWDNYBLLSN-GVDBMIGSSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000858192586 595725422 /nfs/dbraw/zinc/72/54/22/595725422.db2.gz LHIXYWDNYBLLSN-GVDBMIGSSA-N 2 1 336.480 1.166 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000851752947 595908476 /nfs/dbraw/zinc/90/84/76/595908476.db2.gz PHQYWYGAWMQSGX-JKSUJKDBSA-N 2 1 343.512 1.876 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000851752947 595908479 /nfs/dbraw/zinc/90/84/79/595908479.db2.gz PHQYWYGAWMQSGX-JKSUJKDBSA-N 2 1 343.512 1.876 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000851752947 595908481 /nfs/dbraw/zinc/90/84/81/595908481.db2.gz PHQYWYGAWMQSGX-JKSUJKDBSA-N 2 1 343.512 1.876 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000851752947 595908483 /nfs/dbraw/zinc/90/84/83/595908483.db2.gz PHQYWYGAWMQSGX-JKSUJKDBSA-N 2 1 343.512 1.876 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)NC(=O)NC2CCCC2)cc1 ZINC000859213886 596006495 /nfs/dbraw/zinc/00/64/95/596006495.db2.gz BSYUHZCEIDMLLN-UHFFFAOYSA-N 2 1 346.475 1.948 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)NC(=O)NC2CCCC2)cc1 ZINC000859213886 596006499 /nfs/dbraw/zinc/00/64/99/596006499.db2.gz BSYUHZCEIDMLLN-UHFFFAOYSA-N 2 1 346.475 1.948 20 0 EDADMP CCn1nncc1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856548669 596016240 /nfs/dbraw/zinc/01/62/40/596016240.db2.gz LVONAVUXDGLOMQ-GOSISDBHSA-N 2 1 344.463 1.798 20 0 EDADMP CCn1nncc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856548669 596016243 /nfs/dbraw/zinc/01/62/43/596016243.db2.gz LVONAVUXDGLOMQ-GOSISDBHSA-N 2 1 344.463 1.798 20 0 EDADMP CCn1nncc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856548669 596016246 /nfs/dbraw/zinc/01/62/46/596016246.db2.gz LVONAVUXDGLOMQ-GOSISDBHSA-N 2 1 344.463 1.798 20 0 EDADMP CCn1nncc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856548669 596016249 /nfs/dbraw/zinc/01/62/49/596016249.db2.gz LVONAVUXDGLOMQ-GOSISDBHSA-N 2 1 344.463 1.798 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CNC(=O)C3)C2)ccn1 ZINC000856584422 596020082 /nfs/dbraw/zinc/02/00/82/596020082.db2.gz JWFIDILQSKSYFL-PBHICJAKSA-N 2 1 332.448 1.123 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CNC(=O)C3)C2)ccn1 ZINC000856584422 596020086 /nfs/dbraw/zinc/02/00/86/596020086.db2.gz JWFIDILQSKSYFL-PBHICJAKSA-N 2 1 332.448 1.123 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CNC(=O)C3)C2)ccn1 ZINC000856584422 596020089 /nfs/dbraw/zinc/02/00/89/596020089.db2.gz JWFIDILQSKSYFL-PBHICJAKSA-N 2 1 332.448 1.123 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC(=O)NC(C)C)C2)ccn1 ZINC000856591867 596027335 /nfs/dbraw/zinc/02/73/35/596027335.db2.gz QOYCMTVSTCIVOG-SFHVURJKSA-N 2 1 348.491 1.901 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC(=O)NC(C)C)C2)ccn1 ZINC000856591867 596027337 /nfs/dbraw/zinc/02/73/37/596027337.db2.gz QOYCMTVSTCIVOG-SFHVURJKSA-N 2 1 348.491 1.901 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC(=O)NC(C)C)C2)ccn1 ZINC000856591867 596027340 /nfs/dbraw/zinc/02/73/40/596027340.db2.gz QOYCMTVSTCIVOG-SFHVURJKSA-N 2 1 348.491 1.901 20 0 EDADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H]3CCNC3=O)C2)ccn1 ZINC000856599408 596031075 /nfs/dbraw/zinc/03/10/75/596031075.db2.gz IPDJEMJAHTURLB-IRXDYDNUSA-N 2 1 332.448 1.263 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H]3CCNC3=O)C2)ccn1 ZINC000856599408 596031080 /nfs/dbraw/zinc/03/10/80/596031080.db2.gz IPDJEMJAHTURLB-IRXDYDNUSA-N 2 1 332.448 1.263 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)ccn1 ZINC000856599408 596031084 /nfs/dbraw/zinc/03/10/84/596031084.db2.gz IPDJEMJAHTURLB-IRXDYDNUSA-N 2 1 332.448 1.263 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)ccn1 ZINC000856599408 596031089 /nfs/dbraw/zinc/03/10/89/596031089.db2.gz IPDJEMJAHTURLB-IRXDYDNUSA-N 2 1 332.448 1.263 20 0 EDADMP C[NH2+]CCOCCNC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000861630118 596051747 /nfs/dbraw/zinc/05/17/47/596051747.db2.gz OXVCEQXXJSWYSX-IBGZPJMESA-N 2 1 348.491 1.434 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000852140873 596059560 /nfs/dbraw/zinc/05/95/60/596059560.db2.gz KZIKVPNFNULANB-ZACQAIPSSA-N 2 1 326.481 1.695 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000852140873 596059565 /nfs/dbraw/zinc/05/95/65/596059565.db2.gz KZIKVPNFNULANB-ZACQAIPSSA-N 2 1 326.481 1.695 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000852140873 596059570 /nfs/dbraw/zinc/05/95/70/596059570.db2.gz KZIKVPNFNULANB-ZACQAIPSSA-N 2 1 326.481 1.695 20 0 EDADMP COc1ccc(OC)c2c1C[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C[C@H]2O ZINC000852744427 596237334 /nfs/dbraw/zinc/23/73/34/596237334.db2.gz CGBHLTAEICKRRP-TZMCWYRMSA-N 2 1 334.416 1.074 20 0 EDADMP COc1ccc(OC)c2c1C[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C[C@H]2O ZINC000852744427 596237335 /nfs/dbraw/zinc/23/73/35/596237335.db2.gz CGBHLTAEICKRRP-TZMCWYRMSA-N 2 1 334.416 1.074 20 0 EDADMP CCc1ccc(CC[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866714678 596306487 /nfs/dbraw/zinc/30/64/87/596306487.db2.gz VBELBUXNUBCXHP-KSZLIROESA-N 2 1 329.444 1.658 20 0 EDADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870867744 596383356 /nfs/dbraw/zinc/38/33/56/596383356.db2.gz KYUYEVARISVMTH-KBPBESRZSA-N 2 1 334.489 1.967 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+](C)C(C)(C)CC2)cn1 ZINC000871158598 596483665 /nfs/dbraw/zinc/48/36/65/596483665.db2.gz GIYOTMJQIWVAQU-DLBZAZTESA-N 2 1 347.507 1.398 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[N@H+](C)C(C)(C)CC2)cn1 ZINC000871158598 596483669 /nfs/dbraw/zinc/48/36/69/596483669.db2.gz GIYOTMJQIWVAQU-DLBZAZTESA-N 2 1 347.507 1.398 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cn1 ZINC000871158598 596483671 /nfs/dbraw/zinc/48/36/71/596483671.db2.gz GIYOTMJQIWVAQU-DLBZAZTESA-N 2 1 347.507 1.398 20 0 EDADMP C/C=C/C[C@@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000863341062 596556667 /nfs/dbraw/zinc/55/66/67/596556667.db2.gz TZTUMIKWBXBTAF-NHZBNJEXSA-N 2 1 334.464 1.638 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N[C@H](C)c2ccccc2)C1 ZINC000863465492 596591236 /nfs/dbraw/zinc/59/12/36/596591236.db2.gz FRQOCLGYMAXHKD-ZBFHGGJFSA-N 2 1 348.447 1.471 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N[C@H](C)c2ccccc2)C1 ZINC000863465492 596591238 /nfs/dbraw/zinc/59/12/38/596591238.db2.gz FRQOCLGYMAXHKD-ZBFHGGJFSA-N 2 1 348.447 1.471 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCCNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865500985 596592749 /nfs/dbraw/zinc/59/27/49/596592749.db2.gz JSPVGMNIYWUCRE-NSHDSACASA-N 2 1 330.354 1.522 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000863653062 596644747 /nfs/dbraw/zinc/64/47/47/596644747.db2.gz ZJTOLPRSKJZMBR-UHFFFAOYSA-N 2 1 349.475 1.942 20 0 EDADMP O[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC1(O)CCOCC1 ZINC000863969698 596738376 /nfs/dbraw/zinc/73/83/76/596738376.db2.gz YLZWWZKQQVLHKV-IAGOWNOFSA-N 2 1 326.481 1.229 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2c3ccccc3CN2C)C1 ZINC000868284591 596764776 /nfs/dbraw/zinc/76/47/76/596764776.db2.gz COGQYWITMROGDS-WBVHZDCISA-N 2 1 332.448 1.193 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1 ZINC000868298183 596774499 /nfs/dbraw/zinc/77/44/99/596774499.db2.gz QEXHYFAEIKFSAJ-ZDUSSCGKSA-N 2 1 332.448 1.588 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cn2cc[nH+]c12 ZINC000868308188 596781964 /nfs/dbraw/zinc/78/19/64/596781964.db2.gz SSKACLRXONFVEM-BTTYYORXSA-N 2 1 341.415 1.228 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1)[C@@H]1CCC[NH2+]1 ZINC000872144129 596808840 /nfs/dbraw/zinc/80/88/40/596808840.db2.gz VJTHUAVBARTEMG-BBWFWOEESA-N 2 1 335.492 1.526 20 0 EDADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000872158419 596817123 /nfs/dbraw/zinc/81/71/23/596817123.db2.gz UZZDUFUSPCIDKR-AEFFLSMTSA-N 3 1 336.524 1.428 20 0 EDADMP [NH3+][C@@H](C[C@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1)C1CCCC1 ZINC000872158419 596817124 /nfs/dbraw/zinc/81/71/24/596817124.db2.gz UZZDUFUSPCIDKR-AEFFLSMTSA-N 2 1 336.524 1.428 20 0 EDADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1)C1CCCC1 ZINC000872158419 596817126 /nfs/dbraw/zinc/81/71/26/596817126.db2.gz UZZDUFUSPCIDKR-AEFFLSMTSA-N 2 1 336.524 1.428 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])C[C@H]1C ZINC000872191032 596828141 /nfs/dbraw/zinc/82/81/41/596828141.db2.gz WRSXALNGSWDGMB-HZPDHXFCSA-N 2 1 340.512 1.295 20 0 EDADMP COCC[N@H+](CC1CC[NH+](C)CC1)Cn1cc(Br)cn1 ZINC000872632229 597000454 /nfs/dbraw/zinc/00/04/54/597000454.db2.gz WCEKUWBIGRXSHW-UHFFFAOYSA-N 2 1 345.285 1.893 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1cc(Br)cn1 ZINC000872632229 597000456 /nfs/dbraw/zinc/00/04/56/597000456.db2.gz WCEKUWBIGRXSHW-UHFFFAOYSA-N 2 1 345.285 1.893 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000874510225 597102823 /nfs/dbraw/zinc/10/28/23/597102823.db2.gz MWNRCPCWRCPOFO-CMKODMSKSA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000874510225 597102825 /nfs/dbraw/zinc/10/28/25/597102825.db2.gz MWNRCPCWRCPOFO-CMKODMSKSA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000874510225 597102828 /nfs/dbraw/zinc/10/28/28/597102828.db2.gz MWNRCPCWRCPOFO-CMKODMSKSA-N 2 1 327.472 1.919 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000876521339 597229425 /nfs/dbraw/zinc/22/94/25/597229425.db2.gz LSBPKWNZKMJAHQ-AWEZNQCLSA-N 2 1 342.399 1.739 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873212003 597229785 /nfs/dbraw/zinc/22/97/85/597229785.db2.gz WEUOLUUFOQDACC-UHFFFAOYSA-N 3 1 336.549 1.757 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)cn1 ZINC000876720431 597304365 /nfs/dbraw/zinc/30/43/65/597304365.db2.gz IGYNNZNCMOSQMH-DEOSSOPVSA-N 2 1 347.444 1.015 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000876756791 597324475 /nfs/dbraw/zinc/32/44/75/597324475.db2.gz YNXYDBUKXNHHLD-UKPHBRMFSA-N 2 1 335.423 1.966 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876837048 597354435 /nfs/dbraw/zinc/35/44/35/597354435.db2.gz BIXPSLKACZYQCX-UTXVFXJSSA-N 2 1 329.444 1.724 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876976845 597403349 /nfs/dbraw/zinc/40/33/49/597403349.db2.gz RIGVFIDCESAMCU-KZNAEPCWSA-N 2 1 344.503 1.292 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876976845 597403352 /nfs/dbraw/zinc/40/33/52/597403352.db2.gz RIGVFIDCESAMCU-KZNAEPCWSA-N 2 1 344.503 1.292 20 0 EDADMP CO[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCOCC1 ZINC000877030480 597416426 /nfs/dbraw/zinc/41/64/26/597416426.db2.gz CUCNHVRYCGDXIQ-MSOLQXFVSA-N 2 1 326.481 1.661 20 0 EDADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C[C@H]1C[NH2+]CCO1 ZINC000877031236 597417261 /nfs/dbraw/zinc/41/72/61/597417261.db2.gz SCZKFNUUUZUVIE-YXJHDRRASA-N 2 1 329.444 1.508 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877133467 597439659 /nfs/dbraw/zinc/43/96/59/597439659.db2.gz BUKZOBYSAOMMSX-NRSFXHEJSA-N 2 1 333.451 1.818 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000877228666 597468821 /nfs/dbraw/zinc/46/88/21/597468821.db2.gz CARTUONRKUFOCF-FHWLQOOXSA-N 2 1 345.487 1.700 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000877228666 597468826 /nfs/dbraw/zinc/46/88/26/597468826.db2.gz CARTUONRKUFOCF-FHWLQOOXSA-N 2 1 345.487 1.700 20 0 EDADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000877364399 597501943 /nfs/dbraw/zinc/50/19/43/597501943.db2.gz XSXIRAKTWLSQHJ-GOSISDBHSA-N 2 1 343.512 1.974 20 0 EDADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000877364399 597501946 /nfs/dbraw/zinc/50/19/46/597501946.db2.gz XSXIRAKTWLSQHJ-GOSISDBHSA-N 2 1 343.512 1.974 20 0 EDADMP Cn1ncc2cc(C[N@@H+](C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cnc21 ZINC000877525465 597530754 /nfs/dbraw/zinc/53/07/54/597530754.db2.gz DKAAYZBERDLWBQ-GOSISDBHSA-N 2 1 342.491 1.569 20 0 EDADMP O[C@]1(C[NH+]2CCC3(CC2)OCCO3)CC[N@H+](Cc2ccccc2)C1 ZINC000877965512 597566850 /nfs/dbraw/zinc/56/68/50/597566850.db2.gz IOMWXRFHZOGWET-SFHVURJKSA-N 2 1 332.444 1.462 20 0 EDADMP O[C@]1(C[NH+]2CCC3(CC2)OCCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000877965512 597566851 /nfs/dbraw/zinc/56/68/51/597566851.db2.gz IOMWXRFHZOGWET-SFHVURJKSA-N 2 1 332.444 1.462 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CC2(CO1)CCOCC2 ZINC000878288533 597592869 /nfs/dbraw/zinc/59/28/69/597592869.db2.gz YIIXGDLYBNUWTM-TVFCKZIOSA-N 2 1 338.492 1.756 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000879535320 597623792 /nfs/dbraw/zinc/62/37/92/597623792.db2.gz BMDFMRROZSTQHZ-KGLIPLIRSA-N 2 1 342.484 1.042 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000878571206 597639017 /nfs/dbraw/zinc/63/90/17/597639017.db2.gz NZYMANFQEWAGNG-OCCSQVGLSA-N 2 1 334.291 1.713 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000878571206 597639019 /nfs/dbraw/zinc/63/90/19/597639019.db2.gz NZYMANFQEWAGNG-OCCSQVGLSA-N 2 1 334.291 1.713 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879581387 597643329 /nfs/dbraw/zinc/64/33/29/597643329.db2.gz ZJQHBNJZBCFDJK-ZFWWWQNUSA-N 2 1 332.473 1.633 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879581387 597643332 /nfs/dbraw/zinc/64/33/32/597643332.db2.gz ZJQHBNJZBCFDJK-ZFWWWQNUSA-N 2 1 332.473 1.633 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879581387 597643336 /nfs/dbraw/zinc/64/33/36/597643336.db2.gz ZJQHBNJZBCFDJK-ZFWWWQNUSA-N 2 1 332.473 1.633 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879581387 597643338 /nfs/dbraw/zinc/64/33/38/597643338.db2.gz ZJQHBNJZBCFDJK-ZFWWWQNUSA-N 2 1 332.473 1.633 20 0 EDADMP C[NH+]1CCN(C2CC[NH+]([C@@H]3C[C@@H]4CCCC[C@H]4NC3=O)CC2)CC1 ZINC000879594833 597650646 /nfs/dbraw/zinc/65/06/46/597650646.db2.gz SBOPZVWZTOINFY-CGTJXYLNSA-N 2 1 334.508 1.146 20 0 EDADMP CC(C)C[N@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)CC1CC[NH+](C)CC1 ZINC000879702318 597694426 /nfs/dbraw/zinc/69/44/26/597694426.db2.gz KDTLOOASTYBJOL-CALCHBBNSA-N 2 1 339.524 1.922 20 0 EDADMP CC(C)C[N@@H+](C[C@H](O)COC[C@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000879702676 597694892 /nfs/dbraw/zinc/69/48/92/597694892.db2.gz UOTYHNSECOODPA-RBUKOAKNSA-N 2 1 342.524 1.843 20 0 EDADMP C[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000883332631 597716593 /nfs/dbraw/zinc/71/65/93/597716593.db2.gz ZPFWGPWMVOWPET-CABCVRRESA-N 2 1 331.464 1.784 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CC3CC3)C2)[C@H](C)C1 ZINC000883394658 597730975 /nfs/dbraw/zinc/73/09/75/597730975.db2.gz DYUSSIKGWSDAMR-NXHRZFHOSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000878864881 597738320 /nfs/dbraw/zinc/73/83/20/597738320.db2.gz BXMDIHIUYZZMPA-FUHWJXTLSA-N 2 1 326.481 1.351 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000878864881 597738321 /nfs/dbraw/zinc/73/83/21/597738321.db2.gz BXMDIHIUYZZMPA-FUHWJXTLSA-N 2 1 326.481 1.351 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000878866715 597739050 /nfs/dbraw/zinc/73/90/50/597739050.db2.gz VOZDSMABBNHDCU-CRAIPNDOSA-N 2 1 341.496 1.632 20 0 EDADMP CCC1([NH+]2CCCCC2)CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000883448167 597750987 /nfs/dbraw/zinc/75/09/87/597750987.db2.gz WCASDXVIIDNYHL-UHFFFAOYSA-N 3 1 336.524 1.539 20 0 EDADMP COC(=O)CC[C@@H](C(=O)OC)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250339 597864895 /nfs/dbraw/zinc/86/48/95/597864895.db2.gz DWDQVAQMSRNSNM-AWEZNQCLSA-N 2 1 326.437 1.289 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000880260418 597885480 /nfs/dbraw/zinc/88/54/80/597885480.db2.gz DFLGLAINXOFNKP-WBVHZDCISA-N 2 1 335.448 1.149 20 0 EDADMP O[C@]1(C[NH+]2CCC3(CC2)COCCO3)CC[N@H+](Cc2ccccc2)C1 ZINC000880548799 597961084 /nfs/dbraw/zinc/96/10/84/597961084.db2.gz CYDGXOVQLPWTES-IBGZPJMESA-N 2 1 346.471 1.505 20 0 EDADMP O[C@]1(C[NH+]2CCC3(CC2)COCCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000880548799 597961086 /nfs/dbraw/zinc/96/10/86/597961086.db2.gz CYDGXOVQLPWTES-IBGZPJMESA-N 2 1 346.471 1.505 20 0 EDADMP CN(C(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884213211 598031499 /nfs/dbraw/zinc/03/14/99/598031499.db2.gz WAQVBEWCGNEBQU-WBVHZDCISA-N 2 1 327.428 1.998 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994132651 696530242 /nfs/dbraw/zinc/53/02/42/696530242.db2.gz KHVQETZIZHCKGX-WBVHZDCISA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1CCOC1CCC1 ZINC000994250136 696642176 /nfs/dbraw/zinc/64/21/76/696642176.db2.gz IKRQGDJFSDWDSW-WBVHZDCISA-N 2 1 335.492 1.620 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)o1 ZINC000994253949 696656420 /nfs/dbraw/zinc/65/64/20/696656420.db2.gz OUIZUEDTYORGSE-GOEBONIOSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)o1 ZINC000994253949 696656423 /nfs/dbraw/zinc/65/64/23/696656423.db2.gz OUIZUEDTYORGSE-GOEBONIOSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1nnsc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000940007995 700109481 /nfs/dbraw/zinc/10/94/81/700109481.db2.gz CVNDMYQVBLSBFW-CYBMUJFWSA-N 2 1 337.493 1.411 20 0 EDADMP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000940008733 700110730 /nfs/dbraw/zinc/11/07/30/700110730.db2.gz ZPYWSDSERNWRKA-OAHLLOKOSA-N 2 1 334.464 1.802 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccccc3F)CC2)C1 ZINC000940024186 700122655 /nfs/dbraw/zinc/12/26/55/700122655.db2.gz DDFANSNXIQQEEA-QGZVFWFLSA-N 2 1 349.450 1.627 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccccc3F)CC2)C1 ZINC000940024186 700122656 /nfs/dbraw/zinc/12/26/56/700122656.db2.gz DDFANSNXIQQEEA-QGZVFWFLSA-N 2 1 349.450 1.627 20 0 EDADMP CCN1CCO[C@H](C(=O)NC2CN(CC3CCC(C)(C)CC3)C2)C1 ZINC001031417846 697068188 /nfs/dbraw/zinc/06/81/88/697068188.db2.gz DCQQQLUAPBYKSK-KRWDZBQOSA-N 2 1 337.508 1.724 20 0 EDADMP CO[C@H](C[NH+]1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1)C1CCC1 ZINC001031434244 697097421 /nfs/dbraw/zinc/09/74/21/697097421.db2.gz ZLMSTRNJWUFYCF-LJQANCHMSA-N 2 1 345.487 1.977 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](OC)C2CCCC2)C1 ZINC001031440186 697112028 /nfs/dbraw/zinc/11/20/28/697112028.db2.gz SADBGYCRXNKYME-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](OC)C2CCCC2)C1 ZINC001031440186 697112030 /nfs/dbraw/zinc/11/20/30/697112030.db2.gz SADBGYCRXNKYME-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000919634488 697307871 /nfs/dbraw/zinc/30/78/71/697307871.db2.gz JLGXMYKDGMPHLJ-PQUAAJSLSA-N 2 1 338.496 1.413 20 0 EDADMP Cn1cc(/C=C/C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1 ZINC000919861167 697351723 /nfs/dbraw/zinc/35/17/23/697351723.db2.gz PWABJAWGPQATLQ-ONEGZZNKSA-N 2 1 326.404 1.219 20 0 EDADMP CCc1nocc1CN1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668509 697460946 /nfs/dbraw/zinc/46/09/46/697460946.db2.gz HYVLMYXKRYNSNE-RDJZCZTQSA-N 2 1 346.475 1.659 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668509 697460947 /nfs/dbraw/zinc/46/09/47/697460947.db2.gz HYVLMYXKRYNSNE-RDJZCZTQSA-N 2 1 346.475 1.659 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668509 697460948 /nfs/dbraw/zinc/46/09/48/697460948.db2.gz HYVLMYXKRYNSNE-RDJZCZTQSA-N 2 1 346.475 1.659 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NCC2C[NH+](Cc3ccsc3)C2)n1 ZINC001031677493 697495025 /nfs/dbraw/zinc/49/50/25/697495025.db2.gz OMVGIKPTNLXSHC-UHFFFAOYSA-N 2 1 347.488 1.368 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cn(C)nc2C)C1 ZINC001031713543 697733340 /nfs/dbraw/zinc/73/33/40/697733340.db2.gz BPGPJGMLHPCCAB-QGZVFWFLSA-N 2 1 333.480 1.151 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cn(C)nc2C)C1 ZINC001031713543 697733342 /nfs/dbraw/zinc/73/33/42/697733342.db2.gz BPGPJGMLHPCCAB-QGZVFWFLSA-N 2 1 333.480 1.151 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccnc2C)C1 ZINC000995036087 700183635 /nfs/dbraw/zinc/18/36/35/700183635.db2.gz KCMAFCMIYDYWIB-WMZOPIPTSA-N 2 1 341.459 1.970 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC001031729429 698053285 /nfs/dbraw/zinc/05/32/85/698053285.db2.gz NDNAQLXWGFNTKA-AEFFLSMTSA-N 2 1 337.508 1.439 20 0 EDADMP O=C(NCC1C[NH+](CC2CCC2)C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001031730056 698064934 /nfs/dbraw/zinc/06/49/34/698064934.db2.gz CKTOPPYOMJZGEO-GOSISDBHSA-N 2 1 335.492 1.478 20 0 EDADMP O=C(NCC1C[NH+](CCn2cccn2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001031730133 698065712 /nfs/dbraw/zinc/06/57/12/698065712.db2.gz FIPIDXVMKRITHJ-GOSISDBHSA-N 2 1 345.491 1.338 20 0 EDADMP O=C(NCC1C[NH+](C/C=C/Cl)C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001031730549 698071699 /nfs/dbraw/zinc/07/16/99/698071699.db2.gz QPQJSLQFQLLERD-BAXHPOPBSA-N 2 1 341.883 1.430 20 0 EDADMP O=C(NCC1C[NH+](C/C=C/Cl)C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001031730549 698071704 /nfs/dbraw/zinc/07/17/04/698071704.db2.gz QPQJSLQFQLLERD-BAXHPOPBSA-N 2 1 341.883 1.430 20 0 EDADMP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001031731834 698153917 /nfs/dbraw/zinc/15/39/17/698153917.db2.gz NFBQIFDOTHQRCH-MRXNPFEDSA-N 2 1 332.448 1.378 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000995037582 700209171 /nfs/dbraw/zinc/20/91/71/700209171.db2.gz OEAKUNFSTZMTMT-CVEARBPZSA-N 2 1 327.432 1.661 20 0 EDADMP CC1([NH2+]CC2CCC2)CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000940124490 700258300 /nfs/dbraw/zinc/25/83/00/700258300.db2.gz FJUXREHXHNYSPX-IAGOWNOFSA-N 2 1 335.492 1.620 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766412 699062067 /nfs/dbraw/zinc/06/20/67/699062067.db2.gz IBBUJDHSCPCUON-HZPDHXFCSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766412 699062071 /nfs/dbraw/zinc/06/20/71/699062071.db2.gz IBBUJDHSCPCUON-HZPDHXFCSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1ccc(OCC[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001031771686 699093108 /nfs/dbraw/zinc/09/31/08/699093108.db2.gz GIIZGVBJNGEYPB-IBGZPJMESA-N 2 1 345.487 1.906 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001031776667 699168921 /nfs/dbraw/zinc/16/89/21/699168921.db2.gz LPARRBJFGOHUPY-KRWDZBQOSA-N 2 1 333.480 1.032 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)[C@@H](C)C1 ZINC000939236988 699406421 /nfs/dbraw/zinc/40/64/21/699406421.db2.gz SXKNFESXGHTDDI-HOCLYGCPSA-N 2 1 344.463 1.377 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939258179 699435738 /nfs/dbraw/zinc/43/57/38/699435738.db2.gz PRIBWIJFXZVLTC-WBMJQRKESA-N 2 1 335.452 1.046 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000939312864 699487382 /nfs/dbraw/zinc/48/73/82/699487382.db2.gz FIHDYOVERMCBQC-QAPCUYQASA-N 2 1 349.450 1.485 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCN(C3C[NH+](CCC(C)(C)C)C3)CC2)C1 ZINC000941665566 701619506 /nfs/dbraw/zinc/61/95/06/701619506.db2.gz JVMJRTOADSBHCA-MRXNPFEDSA-N 2 1 336.524 1.203 20 0 EDADMP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000939755536 699906717 /nfs/dbraw/zinc/90/67/17/699906717.db2.gz QTZOJGIXVNHXOY-MLGOLLRUSA-N 2 1 345.447 1.687 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000939757419 699924536 /nfs/dbraw/zinc/92/45/36/699924536.db2.gz YGPOSVGNQMJDNV-GOEBONIOSA-N 2 1 348.495 1.065 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)n1 ZINC000939811070 699959158 /nfs/dbraw/zinc/95/91/58/699959158.db2.gz QOWUMIRBZXRNTD-RDJZCZTQSA-N 2 1 345.491 1.598 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940142312 700270658 /nfs/dbraw/zinc/27/06/58/700270658.db2.gz OOGLKOHYWCFBEV-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000940178871 700312871 /nfs/dbraw/zinc/31/28/71/700312871.db2.gz ODYKRKHMHFRGJF-QGZVFWFLSA-N 2 1 347.507 1.858 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1 ZINC000940214342 700354213 /nfs/dbraw/zinc/35/42/13/700354213.db2.gz IKBBVCFLQDLZOR-UHFFFAOYSA-N 2 1 334.449 1.214 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1 ZINC000940214608 700354700 /nfs/dbraw/zinc/35/47/00/700354700.db2.gz QWQUCXNSKHZOAG-UHFFFAOYSA-N 2 1 330.436 1.096 20 0 EDADMP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000940328020 700505823 /nfs/dbraw/zinc/50/58/23/700505823.db2.gz CNSPKUZDPHGUEN-INIZCTEOSA-N 2 1 347.507 1.716 20 0 EDADMP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000940328411 700507068 /nfs/dbraw/zinc/50/70/68/700507068.db2.gz JELPGDMTJVIYKH-CQSZACIVSA-N 2 1 349.479 1.445 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)nc1 ZINC000940329257 700508365 /nfs/dbraw/zinc/50/83/65/700508365.db2.gz STWYFPIDXXRVLC-HNNXBMFYSA-N 2 1 345.491 1.598 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC000940472681 700658162 /nfs/dbraw/zinc/65/81/62/700658162.db2.gz PQJIBJGEQWUBNI-HNNXBMFYSA-N 2 1 348.495 1.458 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940457441 700660896 /nfs/dbraw/zinc/66/08/96/700660896.db2.gz FZPCTDCHBDMJDN-ZDUSSCGKSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940457441 700660897 /nfs/dbraw/zinc/66/08/97/700660897.db2.gz FZPCTDCHBDMJDN-ZDUSSCGKSA-N 2 1 335.452 1.054 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3C)CC2)no1 ZINC000940461518 700664529 /nfs/dbraw/zinc/66/45/29/700664529.db2.gz FNSLLNJQLJYFBH-UHFFFAOYSA-N 2 1 331.420 1.659 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000940462034 700665497 /nfs/dbraw/zinc/66/54/97/700665497.db2.gz XQALQVXSCLQAIX-UHFFFAOYSA-N 2 1 345.447 1.967 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940620740 700781980 /nfs/dbraw/zinc/78/19/80/700781980.db2.gz JOLMTRRWTKONIP-HOTGVXAUSA-N 2 1 333.480 1.231 20 0 EDADMP Cn1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)cn1 ZINC000940620740 700781982 /nfs/dbraw/zinc/78/19/82/700781982.db2.gz JOLMTRRWTKONIP-HOTGVXAUSA-N 2 1 333.480 1.231 20 0 EDADMP Cn1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)cn1 ZINC000940620740 700781984 /nfs/dbraw/zinc/78/19/84/700781984.db2.gz JOLMTRRWTKONIP-HOTGVXAUSA-N 2 1 333.480 1.231 20 0 EDADMP Cn1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC000995100968 700890544 /nfs/dbraw/zinc/89/05/44/700890544.db2.gz DUBOHDSZMXNJKQ-JKSUJKDBSA-N 2 1 347.507 1.527 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCn2cccn2)CC1(C)C ZINC000940843204 700939453 /nfs/dbraw/zinc/93/94/53/700939453.db2.gz ZEVVHTNAPHFKND-DLBZAZTESA-N 2 1 347.507 1.584 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCn2cccn2)CC1(C)C ZINC000940843204 700939454 /nfs/dbraw/zinc/93/94/54/700939454.db2.gz ZEVVHTNAPHFKND-DLBZAZTESA-N 2 1 347.507 1.584 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)CC1(C)C ZINC000940843204 700939455 /nfs/dbraw/zinc/93/94/55/700939455.db2.gz ZEVVHTNAPHFKND-DLBZAZTESA-N 2 1 347.507 1.584 20 0 EDADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900004 700975252 /nfs/dbraw/zinc/97/52/52/700975252.db2.gz APTHLKFONFRZKW-ASPXRTSYSA-N 2 1 349.519 1.866 20 0 EDADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900004 700975254 /nfs/dbraw/zinc/97/52/54/700975254.db2.gz APTHLKFONFRZKW-ASPXRTSYSA-N 2 1 349.519 1.866 20 0 EDADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900004 700975255 /nfs/dbraw/zinc/97/52/55/700975255.db2.gz APTHLKFONFRZKW-ASPXRTSYSA-N 2 1 349.519 1.866 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001031916623 701007434 /nfs/dbraw/zinc/00/74/34/701007434.db2.gz CLCQNKRQHOJXQK-FUHWJXTLSA-N 2 1 337.508 1.583 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C)C2 ZINC000941031889 701073343 /nfs/dbraw/zinc/07/33/43/701073343.db2.gz CRSAIZQLUBRQTC-WBVHZDCISA-N 2 1 348.491 1.353 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C)C2 ZINC000941031889 701073346 /nfs/dbraw/zinc/07/33/46/701073346.db2.gz CRSAIZQLUBRQTC-WBVHZDCISA-N 2 1 348.491 1.353 20 0 EDADMP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](CCCO)CC2(C)C)CC1 ZINC000941078291 701139957 /nfs/dbraw/zinc/13/99/57/701139957.db2.gz CPQRTDZPCBDGSK-MRXNPFEDSA-N 2 1 325.497 1.317 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(Cc3ccon3)CC2(C)C)C1 ZINC000941163986 701228970 /nfs/dbraw/zinc/22/89/70/701228970.db2.gz RDSIPVCTRAZWQA-GDBMZVCRSA-N 2 1 334.464 1.733 20 0 EDADMP CC1(C)C[N@@H+](Cc2cncs2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167123 701378126 /nfs/dbraw/zinc/37/81/26/701378126.db2.gz RPLVRRRAJLQCCG-OAHLLOKOSA-N 2 1 348.516 1.956 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217273 701403319 /nfs/dbraw/zinc/40/33/19/701403319.db2.gz LNVBQYZSIOMSBW-PBHICJAKSA-N 2 1 348.491 1.905 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941217273 701403320 /nfs/dbraw/zinc/40/33/20/701403320.db2.gz LNVBQYZSIOMSBW-PBHICJAKSA-N 2 1 348.491 1.905 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217273 701403321 /nfs/dbraw/zinc/40/33/21/701403321.db2.gz LNVBQYZSIOMSBW-PBHICJAKSA-N 2 1 348.491 1.905 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941238243 701428683 /nfs/dbraw/zinc/42/86/83/701428683.db2.gz VXIDRWSMXXQXIU-QGZVFWFLSA-N 2 1 333.476 1.571 20 0 EDADMP CC(C)[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408629 701521141 /nfs/dbraw/zinc/52/11/41/701521141.db2.gz NQZJDUBNFUWMKC-IAGOWNOFSA-N 2 1 334.508 1.098 20 0 EDADMP Cc1ncoc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518580 706604797 /nfs/dbraw/zinc/60/47/97/706604797.db2.gz XZYODOJLSYNCIV-BBWFWOEESA-N 2 1 346.475 1.748 20 0 EDADMP Cc1ncoc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518580 706604799 /nfs/dbraw/zinc/60/47/99/706604799.db2.gz XZYODOJLSYNCIV-BBWFWOEESA-N 2 1 346.475 1.748 20 0 EDADMP Cc1ncoc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518580 706604801 /nfs/dbraw/zinc/60/48/01/706604801.db2.gz XZYODOJLSYNCIV-BBWFWOEESA-N 2 1 346.475 1.748 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995802759 702047279 /nfs/dbraw/zinc/04/72/79/702047279.db2.gz OHLFZUIPBFHTPA-IAGOWNOFSA-N 2 1 347.507 1.620 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3ncccn3)C(C)(C)C2)CC[N@H+]1C ZINC000995823357 702093184 /nfs/dbraw/zinc/09/31/84/702093184.db2.gz FWHQMPFMAGCJAP-RBSFLKMASA-N 2 1 331.464 1.143 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ncccn3)C(C)(C)C2)CC[N@@H+]1C ZINC000995823357 702093190 /nfs/dbraw/zinc/09/31/90/702093190.db2.gz FWHQMPFMAGCJAP-RBSFLKMASA-N 2 1 331.464 1.143 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ncccn3)C(C)(C)C2)CC[N@H+]1C ZINC000995823357 702093196 /nfs/dbraw/zinc/09/31/96/702093196.db2.gz FWHQMPFMAGCJAP-RBSFLKMASA-N 2 1 331.464 1.143 20 0 EDADMP Cc1cc(F)ccc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031980476 702132295 /nfs/dbraw/zinc/13/22/95/702132295.db2.gz SNOMEGOCFZMMQM-RDTXWAMCSA-N 2 1 333.451 1.880 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000995868926 702153006 /nfs/dbraw/zinc/15/30/06/702153006.db2.gz DUBHXDRRSCUIRX-HZPDHXFCSA-N 2 1 348.495 1.016 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000995868926 702153011 /nfs/dbraw/zinc/15/30/11/702153011.db2.gz DUBHXDRRSCUIRX-HZPDHXFCSA-N 2 1 348.495 1.016 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cn(CC)nn3)C2)CC[N@@H+]1C ZINC000999203206 706647818 /nfs/dbraw/zinc/64/78/18/706647818.db2.gz ZNMSRTLMYCAAPG-HYVNUMGLSA-N 2 1 348.495 1.109 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cn(CC)nn3)C2)CC[N@H+]1C ZINC000999203206 706647821 /nfs/dbraw/zinc/64/78/21/706647821.db2.gz ZNMSRTLMYCAAPG-HYVNUMGLSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995893023 702193772 /nfs/dbraw/zinc/19/37/72/702193772.db2.gz GXSHLPOSPFKIJL-HZPDHXFCSA-N 2 1 334.464 1.650 20 0 EDADMP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)CCC1 ZINC000995899182 702203748 /nfs/dbraw/zinc/20/37/48/702203748.db2.gz VPZOVAMRYJQHDO-AWEZNQCLSA-N 2 1 331.464 1.288 20 0 EDADMP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]Cc3nccs3)C(C)(C)C2)CCC1 ZINC000995899334 702204795 /nfs/dbraw/zinc/20/47/95/702204795.db2.gz WCIDWAIKMSSURN-CYBMUJFWSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)co1 ZINC000995919452 702239566 /nfs/dbraw/zinc/23/95/66/702239566.db2.gz QYWORZYJNBXXQB-MRXNPFEDSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)co1 ZINC000995919452 702239569 /nfs/dbraw/zinc/23/95/69/702239569.db2.gz QYWORZYJNBXXQB-MRXNPFEDSA-N 2 1 334.464 1.794 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H](NCc2ncccn2)C(C)(C)C1)C1CCC1 ZINC000995920117 702240786 /nfs/dbraw/zinc/24/07/86/702240786.db2.gz SLSPUEQSOPWYLY-OAHLLOKOSA-N 2 1 331.464 1.288 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1)C1CCC1 ZINC000995920117 702240792 /nfs/dbraw/zinc/24/07/92/702240792.db2.gz SLSPUEQSOPWYLY-OAHLLOKOSA-N 2 1 331.464 1.288 20 0 EDADMP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995913939 702273394 /nfs/dbraw/zinc/27/33/94/702273394.db2.gz JEQINZWRPLIHSL-LSDHHAIUSA-N 2 1 348.495 1.016 20 0 EDADMP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995913939 702273399 /nfs/dbraw/zinc/27/33/99/702273399.db2.gz JEQINZWRPLIHSL-LSDHHAIUSA-N 2 1 348.495 1.016 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001032186942 702288905 /nfs/dbraw/zinc/28/89/05/702288905.db2.gz ZPHHQRGWPYGIPX-QGZVFWFLSA-N 2 1 331.460 1.503 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3CC)C2)CC[N@@H+]1C ZINC000999211313 706664272 /nfs/dbraw/zinc/66/42/72/706664272.db2.gz YGQNBTUPOIPKNS-OWCLPIDISA-N 2 1 348.495 1.109 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3CC)C2)CC[N@H+]1C ZINC000999211313 706664274 /nfs/dbraw/zinc/66/42/74/706664274.db2.gz YGQNBTUPOIPKNS-OWCLPIDISA-N 2 1 348.495 1.109 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996002492 702382506 /nfs/dbraw/zinc/38/25/06/702382506.db2.gz IZBHJFCXEZSPTO-HOTGVXAUSA-N 2 1 349.479 1.517 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996002492 702382513 /nfs/dbraw/zinc/38/25/13/702382513.db2.gz IZBHJFCXEZSPTO-HOTGVXAUSA-N 2 1 349.479 1.517 20 0 EDADMP Cc1noc(CN[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)n1 ZINC000996301194 702693027 /nfs/dbraw/zinc/69/30/27/702693027.db2.gz RPUQOZGVKHACPO-GXTWGEPZSA-N 2 1 335.452 1.189 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]CCc2ccnn2C)C(C)(C)C1 ZINC000996302596 702694849 /nfs/dbraw/zinc/69/48/49/702694849.db2.gz XPABTAHEDALOID-WBVHZDCISA-N 2 1 347.507 1.274 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996302641 702694947 /nfs/dbraw/zinc/69/49/47/702694947.db2.gz YFSDCKCDFGKCFX-SWLSCSKDSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996302641 702694948 /nfs/dbraw/zinc/69/49/48/702694948.db2.gz YFSDCKCDFGKCFX-SWLSCSKDSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996302583 702694963 /nfs/dbraw/zinc/69/49/63/702694963.db2.gz XJOFSWXBDGGJJE-WFASDCNBSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996302583 702694964 /nfs/dbraw/zinc/69/49/64/702694964.db2.gz XJOFSWXBDGGJJE-WFASDCNBSA-N 2 1 335.452 1.189 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]([NH2+]C[C@H]3CCOC3)C(C)(C)C2)C1 ZINC000996311179 702700345 /nfs/dbraw/zinc/70/03/45/702700345.db2.gz QHSYZGPVSPOIGL-CVEARBPZSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)co1 ZINC000995213906 702715571 /nfs/dbraw/zinc/71/55/71/702715571.db2.gz QTEDQJXPJBPBJV-CABCVRRESA-N 2 1 331.420 1.563 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCC2)cn1 ZINC001032675791 706694873 /nfs/dbraw/zinc/69/48/73/706694873.db2.gz OOYLCBYTNVCKNI-IRXDYDNUSA-N 2 1 331.464 1.144 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996475535 702807531 /nfs/dbraw/zinc/80/75/31/702807531.db2.gz CBYWEQOHFXKUQZ-RHSMWYFYSA-N 2 1 332.448 1.630 20 0 EDADMP CCc1noc(CN[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996512090 702831329 /nfs/dbraw/zinc/83/13/29/702831329.db2.gz AOGYAUPFPMTFTR-KGLIPLIRSA-N 2 1 349.479 1.300 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]Cc3ccns3)C(C)(C)C2)C1 ZINC000996518560 702854126 /nfs/dbraw/zinc/85/41/26/702854126.db2.gz KWEYAKHSJWVSJW-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996522011 702857537 /nfs/dbraw/zinc/85/75/37/702857537.db2.gz XLJDTTQYEVXIQN-DOTOQJQBSA-N 2 1 330.476 1.750 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000996562777 702876824 /nfs/dbraw/zinc/87/68/24/702876824.db2.gz XCKNRQCZLLWDGM-HNNXBMFYSA-N 2 1 347.463 1.054 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000996608423 702911341 /nfs/dbraw/zinc/91/13/41/702911341.db2.gz SHXMDJLTNRLSGI-GZBFAFLISA-N 2 1 349.479 1.614 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996608757 702912136 /nfs/dbraw/zinc/91/21/36/702912136.db2.gz HMMHLHOVZZRRMZ-GDBMZVCRSA-N 2 1 334.464 1.570 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)C1 ZINC000996617705 702924581 /nfs/dbraw/zinc/92/45/81/702924581.db2.gz VTBFNVGVEKJEPO-CZUORRHYSA-N 2 1 334.439 1.499 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000996625216 702928830 /nfs/dbraw/zinc/92/88/30/702928830.db2.gz ZSVQHKOVGAFWMV-OALUTQOASA-N 2 1 343.471 1.630 20 0 EDADMP O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000996625222 702928901 /nfs/dbraw/zinc/92/89/01/702928901.db2.gz ZSVQHKOVGAFWMV-RTBURBONSA-N 2 1 343.471 1.630 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ocnc2C)CC1 ZINC000996647095 702948949 /nfs/dbraw/zinc/94/89/49/702948949.db2.gz XDGNERBPIJUAMS-MRXNPFEDSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000996673990 702969174 /nfs/dbraw/zinc/96/91/74/702969174.db2.gz SLPNIAROFKWTPJ-JKSUJKDBSA-N 2 1 345.491 1.678 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000996673990 702969176 /nfs/dbraw/zinc/96/91/76/702969176.db2.gz SLPNIAROFKWTPJ-JKSUJKDBSA-N 2 1 345.491 1.678 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCC([NH2+]CCC2CC2)CC1 ZINC000996672571 702973462 /nfs/dbraw/zinc/97/34/62/702973462.db2.gz RKLMVOOSPKHUSB-KRWDZBQOSA-N 2 1 333.480 1.194 20 0 EDADMP CCn1ncc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000996689273 702986752 /nfs/dbraw/zinc/98/67/52/702986752.db2.gz LAXKYQZCAQBSRX-KRWDZBQOSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000942518051 703012083 /nfs/dbraw/zinc/01/20/83/703012083.db2.gz LGUAOAIESRUEEK-YOEHRIQHSA-N 2 1 327.432 1.613 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000942518051 703012084 /nfs/dbraw/zinc/01/20/84/703012084.db2.gz LGUAOAIESRUEEK-YOEHRIQHSA-N 2 1 327.432 1.613 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1)c1csnn1 ZINC000996720697 703014451 /nfs/dbraw/zinc/01/44/51/703014451.db2.gz DXSMYMDTQQJFQD-WFASDCNBSA-N 2 1 337.493 1.664 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996716355 703014798 /nfs/dbraw/zinc/01/47/98/703014798.db2.gz JMEFTTOFSZUZTA-GJZGRUSLSA-N 2 1 349.504 1.636 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCc2ccnn2C)C1 ZINC001032026263 703052295 /nfs/dbraw/zinc/05/22/95/703052295.db2.gz BLPSCLWLXMHSJU-GOSISDBHSA-N 2 1 347.507 1.274 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2csc(C)n2)CC1 ZINC000996801903 703087937 /nfs/dbraw/zinc/08/79/37/703087937.db2.gz NGLVEVXUEBDLJN-UHFFFAOYSA-N 2 1 333.461 1.737 20 0 EDADMP C[C@H]1C[N@@H+](CCn2cccn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942594552 703107057 /nfs/dbraw/zinc/10/70/57/703107057.db2.gz KNPVZWQIUQHZSR-RDJZCZTQSA-N 2 1 333.480 1.052 20 0 EDADMP C[C@H]1C[N@@H+](CCOC2CCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597136 703112082 /nfs/dbraw/zinc/11/20/82/703112082.db2.gz JBMPFYGWAUPPPI-YJBOKZPZSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032043124 703215818 /nfs/dbraw/zinc/21/58/18/703215818.db2.gz VPAKPBNDRIWFMM-IRXDYDNUSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032043124 703215820 /nfs/dbraw/zinc/21/58/20/703215820.db2.gz VPAKPBNDRIWFMM-IRXDYDNUSA-N 2 1 332.448 1.548 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000996981826 703236548 /nfs/dbraw/zinc/23/65/48/703236548.db2.gz YBGZKKGZPHWKSV-CRAIPNDOSA-N 2 1 347.507 1.274 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1)c1ncccn1 ZINC000996999010 703256031 /nfs/dbraw/zinc/25/60/31/703256031.db2.gz LLGVOIQAIHRVPB-OAHLLOKOSA-N 2 1 345.491 1.850 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000996996684 703259947 /nfs/dbraw/zinc/25/99/47/703259947.db2.gz YCWIEGGHMYANLM-HNNXBMFYSA-N 2 1 348.495 1.424 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3ncccn3)CC2)C1 ZINC000997004561 703261628 /nfs/dbraw/zinc/26/16/28/703261628.db2.gz FBJITAPHYWQQMF-UHFFFAOYSA-N 2 1 331.464 1.289 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000997004742 703261978 /nfs/dbraw/zinc/26/19/78/703261978.db2.gz GMSREDTXRZHRTG-AWEZNQCLSA-N 2 1 348.495 1.029 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c(C)o1 ZINC000997005355 703262337 /nfs/dbraw/zinc/26/23/37/703262337.db2.gz DJAVKWROWFSQMV-BLLLJJGKSA-N 2 1 334.464 1.570 20 0 EDADMP CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000997005433 703262695 /nfs/dbraw/zinc/26/26/95/703262695.db2.gz IJNLCPQMFNPBBJ-CQSZACIVSA-N 2 1 348.495 1.029 20 0 EDADMP Cc1ccncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997008364 703266046 /nfs/dbraw/zinc/26/60/46/703266046.db2.gz LSDWKWMPJWJYJE-CRAIPNDOSA-N 2 1 330.476 1.668 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000997003563 703267651 /nfs/dbraw/zinc/26/76/51/703267651.db2.gz BXLLFDWUQZISTH-HNNXBMFYSA-N 2 1 348.495 1.281 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997009887 703270739 /nfs/dbraw/zinc/27/07/39/703270739.db2.gz QWQRKIPHXVYVEH-GUYCJALGSA-N 2 1 348.491 1.824 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997010503 703270963 /nfs/dbraw/zinc/27/09/63/703270963.db2.gz SCTIIBGTXDIWEA-HIFRSBDPSA-N 2 1 349.479 1.300 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997010503 703270964 /nfs/dbraw/zinc/27/09/64/703270964.db2.gz SCTIIBGTXDIWEA-HIFRSBDPSA-N 2 1 349.479 1.300 20 0 EDADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000997084196 703322370 /nfs/dbraw/zinc/32/23/70/703322370.db2.gz KWQBKPZVIRTEHU-KBPBESRZSA-N 2 1 342.447 1.720 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC[N@H+]1C ZINC000921531585 703391909 /nfs/dbraw/zinc/39/19/09/703391909.db2.gz KDVNMKIGFSJEKH-SIXLDLHFSA-N 2 1 338.496 1.146 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000997261870 703540577 /nfs/dbraw/zinc/54/05/77/703540577.db2.gz UQTHKDKBCDPERE-JFIYKMOQSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3nc4c(o3)CCCC4)CC2)C1 ZINC000997297196 703555724 /nfs/dbraw/zinc/55/57/24/703555724.db2.gz CNBOBLIXBOUJJL-AWEZNQCLSA-N 2 1 346.475 1.586 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000997366948 703601133 /nfs/dbraw/zinc/60/11/33/703601133.db2.gz QVYZBJWEADBURI-MAUKXSAKSA-N 2 1 345.491 1.993 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000997370715 703603420 /nfs/dbraw/zinc/60/34/20/703603420.db2.gz FGPGFNWUEVERPY-APWZRJJASA-N 2 1 345.487 1.906 20 0 EDADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC[C@H]2CCOC2)CCC1 ZINC001032444456 703621686 /nfs/dbraw/zinc/62/16/86/703621686.db2.gz ZLDRTPIVWTWUQG-ULQDDVLXSA-N 2 1 335.492 1.573 20 0 EDADMP Cc1ccnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997422396 703671174 /nfs/dbraw/zinc/67/11/74/703671174.db2.gz XLDTWHOHRQYFCP-WBVHZDCISA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ccnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997422396 703671175 /nfs/dbraw/zinc/67/11/75/703671175.db2.gz XLDTWHOHRQYFCP-WBVHZDCISA-N 2 1 345.491 1.453 20 0 EDADMP O=C(c1ccn2cncc2c1)N1C[C@@H]2C[C@H]1CN2CCOC1CCC1 ZINC001032500240 703816942 /nfs/dbraw/zinc/81/69/42/703816942.db2.gz PUYYUAVPKDHOIU-IRXDYDNUSA-N 2 1 340.427 1.802 20 0 EDADMP CCn1nnc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997608620 703907532 /nfs/dbraw/zinc/90/75/32/703907532.db2.gz VGQOBBYSNVNWJS-MRXNPFEDSA-N 2 1 348.495 1.029 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1csnn1 ZINC000997615927 703915282 /nfs/dbraw/zinc/91/52/82/703915282.db2.gz XMHQIUKNVDXWLV-IUODEOHRSA-N 2 1 337.493 1.522 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)sn1 ZINC000995551007 703955634 /nfs/dbraw/zinc/95/56/34/703955634.db2.gz LMKSUOFZQDGOFI-HUUCEWRRSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCC(F)(F)C1 ZINC001032522003 703975862 /nfs/dbraw/zinc/97/58/62/703975862.db2.gz PTWVBWIOKABFPX-KKUMJFAQSA-N 2 1 338.402 1.912 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCC(F)(F)C1 ZINC001032522003 703975864 /nfs/dbraw/zinc/97/58/64/703975864.db2.gz PTWVBWIOKABFPX-KKUMJFAQSA-N 2 1 338.402 1.912 20 0 EDADMP CC1([NH+]2CCC2)CCC(NC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000922608433 704128120 /nfs/dbraw/zinc/12/81/20/704128120.db2.gz UXFOWTZAVRRJTH-UHFFFAOYSA-N 2 1 338.496 1.415 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001033082899 704140881 /nfs/dbraw/zinc/14/08/81/704140881.db2.gz VRAIPXHYKIDELO-QZTJIDSGSA-N 2 1 343.475 1.160 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001033082899 704140882 /nfs/dbraw/zinc/14/08/82/704140882.db2.gz VRAIPXHYKIDELO-QZTJIDSGSA-N 2 1 343.475 1.160 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033083726 704143050 /nfs/dbraw/zinc/14/30/50/704143050.db2.gz ZQRCILIXCQXNQO-DLBZAZTESA-N 2 1 346.475 1.612 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033083726 704143052 /nfs/dbraw/zinc/14/30/52/704143052.db2.gz ZQRCILIXCQXNQO-DLBZAZTESA-N 2 1 346.475 1.612 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(F)cn3)C2)CC[N@H+]1C ZINC001033096958 704186244 /nfs/dbraw/zinc/18/62/44/704186244.db2.gz RQGSUQNHPSQTGO-FGTMMUONSA-N 2 1 348.466 1.984 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(F)cn3)C2)CC[N@@H+]1C ZINC001033096958 704186246 /nfs/dbraw/zinc/18/62/46/704186246.db2.gz RQGSUQNHPSQTGO-FGTMMUONSA-N 2 1 348.466 1.984 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(F)cn3)C2)CC[N@H+]1C ZINC001033096958 704186248 /nfs/dbraw/zinc/18/62/48/704186248.db2.gz RQGSUQNHPSQTGO-FGTMMUONSA-N 2 1 348.466 1.984 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(F)cn3)C2)CC[NH+]1C ZINC001033096958 704186251 /nfs/dbraw/zinc/18/62/51/704186251.db2.gz RQGSUQNHPSQTGO-FGTMMUONSA-N 2 1 348.466 1.984 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)CC[NH+]1C ZINC001033096958 704186253 /nfs/dbraw/zinc/18/62/53/704186253.db2.gz RQGSUQNHPSQTGO-FGTMMUONSA-N 2 1 348.466 1.984 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+]2Cc2cnon2)CC1 ZINC001004367585 704334987 /nfs/dbraw/zinc/33/49/87/704334987.db2.gz DXXFASOXBNTZRY-IAGOWNOFSA-N 2 1 347.463 1.367 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2Cc2cnon2)CC1 ZINC001004367585 704334989 /nfs/dbraw/zinc/33/49/89/704334989.db2.gz DXXFASOXBNTZRY-IAGOWNOFSA-N 2 1 347.463 1.367 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2Cc2cnon2)CC1 ZINC001004367585 704334992 /nfs/dbraw/zinc/33/49/92/704334992.db2.gz DXXFASOXBNTZRY-IAGOWNOFSA-N 2 1 347.463 1.367 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccc(F)c3)C(C)(C)C2)C1 ZINC000995596456 704563387 /nfs/dbraw/zinc/56/33/87/704563387.db2.gz HYSPMEUOPJZOHZ-DLBZAZTESA-N 2 1 349.450 1.483 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccc(F)c3)C(C)(C)C2)C1 ZINC000995596456 704563388 /nfs/dbraw/zinc/56/33/88/704563388.db2.gz HYSPMEUOPJZOHZ-DLBZAZTESA-N 2 1 349.450 1.483 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000997707674 704598510 /nfs/dbraw/zinc/59/85/10/704598510.db2.gz GKOBCGATJUVDBO-CGTJXYLNSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997771472 704673101 /nfs/dbraw/zinc/67/31/01/704673101.db2.gz HTTIHFDTNROPGL-QZTJIDSGSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000997774182 704679057 /nfs/dbraw/zinc/67/90/57/704679057.db2.gz CXRUTALPVPKMFU-KRWDZBQOSA-N 2 1 348.495 1.016 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997803897 704715752 /nfs/dbraw/zinc/71/57/52/704715752.db2.gz NZILDFQYQLEQMQ-ROUUACIJSA-N 2 1 335.492 1.478 20 0 EDADMP O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997803898 704715757 /nfs/dbraw/zinc/71/57/57/704715757.db2.gz NZILDFQYQLEQMQ-ZWKOTPCHSA-N 2 1 335.492 1.478 20 0 EDADMP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2nc(C3CC3)no2)CC1)[NH+](C)C ZINC000997855685 704764621 /nfs/dbraw/zinc/76/46/21/704764621.db2.gz ONWPZYSQZKSXDJ-OAHLLOKOSA-N 2 1 349.479 1.615 20 0 EDADMP Cc1ccnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000997864573 704771490 /nfs/dbraw/zinc/77/14/90/704771490.db2.gz KNZHHPINKAXHLJ-QGZVFWFLSA-N 2 1 345.491 1.598 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CC[NH+](C/C=C\Cl)CC2)C1 ZINC000997872296 704778044 /nfs/dbraw/zinc/77/80/44/704778044.db2.gz ZFGJFJZTSVEZRX-UYCDMLEZSA-N 2 1 343.899 1.676 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CC[NH+](C/C=C\Cl)CC2)C1 ZINC000997872296 704778047 /nfs/dbraw/zinc/77/80/47/704778047.db2.gz ZFGJFJZTSVEZRX-UYCDMLEZSA-N 2 1 343.899 1.676 20 0 EDADMP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C)c1ccccc1 ZINC001032564781 704821067 /nfs/dbraw/zinc/82/10/67/704821067.db2.gz IPAWIAXVFJWIQC-OKYOBFRVSA-N 2 1 343.471 1.753 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C)c1ccccc1 ZINC001032564781 704821072 /nfs/dbraw/zinc/82/10/72/704821072.db2.gz IPAWIAXVFJWIQC-OKYOBFRVSA-N 2 1 343.471 1.753 20 0 EDADMP CO[C@@H](C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001032564781 704821076 /nfs/dbraw/zinc/82/10/76/704821076.db2.gz IPAWIAXVFJWIQC-OKYOBFRVSA-N 2 1 343.471 1.753 20 0 EDADMP CO[C@@H](C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001032564781 704821081 /nfs/dbraw/zinc/82/10/81/704821081.db2.gz IPAWIAXVFJWIQC-OKYOBFRVSA-N 2 1 343.471 1.753 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2snnc2C)CC1 ZINC000997914414 704972904 /nfs/dbraw/zinc/97/29/04/704972904.db2.gz FSSTXJHTTQLGNK-UHFFFAOYSA-N 2 1 348.476 1.380 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000997915815 704979237 /nfs/dbraw/zinc/97/92/37/704979237.db2.gz OEVCIXCBRAFMIQ-UHFFFAOYSA-N 2 1 333.461 1.676 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945092155 705061795 /nfs/dbraw/zinc/06/17/95/705061795.db2.gz PPZGVUVEDXMIPF-QAPCUYQASA-N 2 1 333.476 1.835 20 0 EDADMP CCN(C(=O)[C@@H]1CCc2[nH]c(C)nc2C1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998042760 705237874 /nfs/dbraw/zinc/23/78/74/705237874.db2.gz AMVKOLMSZYWALC-CVEARBPZSA-N 2 1 348.491 1.518 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000998079022 705292002 /nfs/dbraw/zinc/29/20/02/705292002.db2.gz NZNBFSQZHXYDAX-DZGCQCFKSA-N 2 1 349.479 1.158 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000998079022 705292006 /nfs/dbraw/zinc/29/20/06/705292006.db2.gz NZNBFSQZHXYDAX-DZGCQCFKSA-N 2 1 349.479 1.158 20 0 EDADMP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000998076707 705297203 /nfs/dbraw/zinc/29/72/03/705297203.db2.gz CPNPJEILVNLDHS-FZKQIMNGSA-N 2 1 348.491 1.817 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1)c1cnccn1 ZINC000998082165 705308397 /nfs/dbraw/zinc/30/83/97/705308397.db2.gz NZCUQMHETNYCPS-HOTGVXAUSA-N 2 1 345.491 1.708 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000998082502 705309844 /nfs/dbraw/zinc/30/98/44/705309844.db2.gz PZZLIQYQGURSJV-WMZOPIPTSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000998082637 705310223 /nfs/dbraw/zinc/31/02/23/705310223.db2.gz RUWDLZOSZYDZSY-KGLIPLIRSA-N 2 1 349.479 1.609 20 0 EDADMP CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998092819 705330178 /nfs/dbraw/zinc/33/01/78/705330178.db2.gz GEYJDQWXNDNRPM-IAGOWNOFSA-N 2 1 348.491 1.449 20 0 EDADMP CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998092819 705330184 /nfs/dbraw/zinc/33/01/84/705330184.db2.gz GEYJDQWXNDNRPM-IAGOWNOFSA-N 2 1 348.491 1.449 20 0 EDADMP CCOC1CC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)C1 ZINC001032603287 705427739 /nfs/dbraw/zinc/42/77/39/705427739.db2.gz VSCGOIYVSFUVKG-YCHGYYGWSA-N 2 1 335.492 1.428 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000998216652 705539007 /nfs/dbraw/zinc/53/90/07/705539007.db2.gz JNGADWCPFXKEGD-KRWDZBQOSA-N 2 1 347.507 1.399 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3noc(C4CC4)n3)CC2)C1 ZINC000998266862 705635676 /nfs/dbraw/zinc/63/56/76/705635676.db2.gz RYYABTYVOGRTIU-OAHLLOKOSA-N 2 1 347.463 1.227 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3noc(C4CC4)n3)CC2)C1 ZINC000998266862 705635682 /nfs/dbraw/zinc/63/56/82/705635682.db2.gz RYYABTYVOGRTIU-OAHLLOKOSA-N 2 1 347.463 1.227 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nccn2C)CC1 ZINC000998284530 705679362 /nfs/dbraw/zinc/67/93/62/705679362.db2.gz DOUBCMMZLSYDAL-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998289439 705686483 /nfs/dbraw/zinc/68/64/83/705686483.db2.gz LZSIPJPGPDPSPO-INIZCTEOSA-N 2 1 335.452 1.272 20 0 EDADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC1 ZINC001032629878 705755920 /nfs/dbraw/zinc/75/59/20/705755920.db2.gz ONLZNWOCQZVTJO-GJZGRUSLSA-N 2 1 330.432 1.579 20 0 EDADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC1 ZINC001032629878 705755924 /nfs/dbraw/zinc/75/59/24/705755924.db2.gz ONLZNWOCQZVTJO-GJZGRUSLSA-N 2 1 330.432 1.579 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2CC)C1 ZINC000998865052 706294751 /nfs/dbraw/zinc/29/47/51/706294751.db2.gz DWIREPWSXTUWPE-UYSNPLJNSA-N 2 1 348.495 1.251 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2conc2C)C1 ZINC000998866631 706296485 /nfs/dbraw/zinc/29/64/85/706296485.db2.gz MSCWXLPPGGVGEF-JCYILVPMSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)co1 ZINC000999049981 706470712 /nfs/dbraw/zinc/47/07/12/706470712.db2.gz HLPHPOPVBLDQMH-UHFFFAOYSA-N 2 1 332.448 1.690 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nn1C ZINC000999145972 706559824 /nfs/dbraw/zinc/55/98/24/706559824.db2.gz TZOINRJFVXTOQL-WMZOPIPTSA-N 2 1 347.507 1.682 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999146988 706560596 /nfs/dbraw/zinc/56/05/96/706560596.db2.gz ZIWCZPHEIGVOPY-DLBZAZTESA-N 2 1 333.480 1.374 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999355832 706845567 /nfs/dbraw/zinc/84/55/67/706845567.db2.gz XVQYUADLIUUYTG-ZBFHGGJFSA-N 2 1 335.452 1.413 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999355832 706845568 /nfs/dbraw/zinc/84/55/68/706845568.db2.gz XVQYUADLIUUYTG-ZBFHGGJFSA-N 2 1 335.452 1.413 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC000999350530 706863298 /nfs/dbraw/zinc/86/32/98/706863298.db2.gz YHDQTGFTVNBWPD-HNNXBMFYSA-N 2 1 348.495 1.424 20 0 EDADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000999402622 706911081 /nfs/dbraw/zinc/91/10/81/706911081.db2.gz HOXWATPRSWEUMP-ODIFPOPNSA-N 2 1 346.475 1.511 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC000999403987 706912756 /nfs/dbraw/zinc/91/27/56/706912756.db2.gz YLFHMYIKFKVMIE-UONOGXRCSA-N 2 1 337.493 1.493 20 0 EDADMP Cc1nnsc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999409764 706919908 /nfs/dbraw/zinc/91/99/08/706919908.db2.gz SMJBJMJOHHVXNG-XGNXJENSSA-N 2 1 337.493 1.267 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccsc3)C2)O1 ZINC000999497356 706995467 /nfs/dbraw/zinc/99/54/67/706995467.db2.gz PWFBWEVZLKJQQX-VNQPRFMTSA-N 2 1 337.489 1.548 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccsc3)C2)O1 ZINC000999497356 706995468 /nfs/dbraw/zinc/99/54/68/706995468.db2.gz PWFBWEVZLKJQQX-VNQPRFMTSA-N 2 1 337.489 1.548 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999510746 707009187 /nfs/dbraw/zinc/00/91/87/707009187.db2.gz LXUIYRMMDAAXRU-OALUTQOASA-N 2 1 345.487 1.744 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC000999576549 707083624 /nfs/dbraw/zinc/08/36/24/707083624.db2.gz YDDZSCBRCIXRSU-HZPDHXFCSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC000999576549 707083626 /nfs/dbraw/zinc/08/36/26/707083626.db2.gz YDDZSCBRCIXRSU-HZPDHXFCSA-N 2 1 348.495 1.016 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999594531 707097888 /nfs/dbraw/zinc/09/78/88/707097888.db2.gz BDZQAZWJOJHMLU-HNNXBMFYSA-N 2 1 346.479 1.007 20 0 EDADMP CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033276716 707341272 /nfs/dbraw/zinc/34/12/72/707341272.db2.gz FPYVLMRSLHRLIN-VZDIDWBNSA-N 2 1 335.492 1.428 20 0 EDADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033276716 707341275 /nfs/dbraw/zinc/34/12/75/707341275.db2.gz FPYVLMRSLHRLIN-VZDIDWBNSA-N 2 1 335.492 1.428 20 0 EDADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033276716 707341276 /nfs/dbraw/zinc/34/12/76/707341276.db2.gz FPYVLMRSLHRLIN-VZDIDWBNSA-N 2 1 335.492 1.428 20 0 EDADMP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033296422 707405905 /nfs/dbraw/zinc/40/59/05/707405905.db2.gz UCOACUZWIWRZMJ-RBUKOAKNSA-N 2 1 342.487 1.989 20 0 EDADMP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033296422 707405907 /nfs/dbraw/zinc/40/59/07/707405907.db2.gz UCOACUZWIWRZMJ-RBUKOAKNSA-N 2 1 342.487 1.989 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000999838674 707410318 /nfs/dbraw/zinc/41/03/18/707410318.db2.gz VZWPMMGSLBRYAG-UHFFFAOYSA-N 2 1 330.436 1.013 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC000999831242 707458440 /nfs/dbraw/zinc/45/84/40/707458440.db2.gz JKPKSHQUGJOODZ-IYXRBSQSSA-N 2 1 349.479 1.398 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC000999831242 707458442 /nfs/dbraw/zinc/45/84/42/707458442.db2.gz JKPKSHQUGJOODZ-IYXRBSQSSA-N 2 1 349.479 1.398 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC000999831405 707461447 /nfs/dbraw/zinc/46/14/47/707461447.db2.gz KXIHEOIBANBECU-NFOMZHRRSA-N 2 1 347.463 1.053 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC000999831405 707461451 /nfs/dbraw/zinc/46/14/51/707461451.db2.gz KXIHEOIBANBECU-NFOMZHRRSA-N 2 1 347.463 1.053 20 0 EDADMP COCc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000999837151 707473705 /nfs/dbraw/zinc/47/37/05/707473705.db2.gz OEOLTRRPXNNHPZ-VIQWUECVSA-N 2 1 345.487 1.864 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3C)C2)C1 ZINC000999862309 707500497 /nfs/dbraw/zinc/50/04/97/707500497.db2.gz NSWIXKSZBSVKKU-CTWPCTMYSA-N 2 1 345.487 1.795 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3C)C2)C1 ZINC000999862309 707500501 /nfs/dbraw/zinc/50/05/01/707500501.db2.gz NSWIXKSZBSVKKU-CTWPCTMYSA-N 2 1 345.487 1.795 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cncc(C)c3)C2)C1 ZINC000999863632 707502514 /nfs/dbraw/zinc/50/25/14/707502514.db2.gz SXOPGWNCJVQIOK-DAWZGUTISA-N 2 1 346.475 1.190 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cncc(C)c3)C2)C1 ZINC000999863632 707502517 /nfs/dbraw/zinc/50/25/17/707502517.db2.gz SXOPGWNCJVQIOK-DAWZGUTISA-N 2 1 346.475 1.190 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ocnc2C)C1 ZINC000999876510 707523869 /nfs/dbraw/zinc/52/38/69/707523869.db2.gz MTKDWFXJFZPVEH-GPANFISMSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)nc1 ZINC000999876364 707524065 /nfs/dbraw/zinc/52/40/65/707524065.db2.gz LTZNOTHVBWZCDH-MRXNPFEDSA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncccn3)C2)C1 ZINC000999976216 707590529 /nfs/dbraw/zinc/59/05/29/707590529.db2.gz WVDVLTCRTWAEBN-IAGOWNOFSA-N 2 1 345.491 1.679 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncccn3)C2)C1 ZINC000999976216 707590532 /nfs/dbraw/zinc/59/05/32/707590532.db2.gz WVDVLTCRTWAEBN-IAGOWNOFSA-N 2 1 345.491 1.679 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001033363071 707652725 /nfs/dbraw/zinc/65/27/25/707652725.db2.gz UQXWFPOSOGCMTO-XIRDDKMYSA-N 2 1 333.480 1.183 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cnn(C)c3)C2)CC[N@H+]1C ZINC001033363071 707652730 /nfs/dbraw/zinc/65/27/30/707652730.db2.gz UQXWFPOSOGCMTO-XIRDDKMYSA-N 2 1 333.480 1.183 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cnn(C)c3)C2)CC[NH+]1C ZINC001033363071 707652735 /nfs/dbraw/zinc/65/27/35/707652735.db2.gz UQXWFPOSOGCMTO-XIRDDKMYSA-N 2 1 333.480 1.183 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)CC[NH+]1C ZINC001033363071 707652740 /nfs/dbraw/zinc/65/27/40/707652740.db2.gz UQXWFPOSOGCMTO-XIRDDKMYSA-N 2 1 333.480 1.183 20 0 EDADMP CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999998420 707680866 /nfs/dbraw/zinc/68/08/66/707680866.db2.gz RRKFLPHLHHGCCV-HOTGVXAUSA-N 2 1 334.468 1.035 20 0 EDADMP CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999998420 707680869 /nfs/dbraw/zinc/68/08/69/707680869.db2.gz RRKFLPHLHHGCCV-HOTGVXAUSA-N 2 1 334.468 1.035 20 0 EDADMP CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C)nn2)C1 ZINC000999998420 707680872 /nfs/dbraw/zinc/68/08/72/707680872.db2.gz RRKFLPHLHHGCCV-HOTGVXAUSA-N 2 1 334.468 1.035 20 0 EDADMP C[C@@H]([NH2+]Cc1cnon1)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001004942104 707687304 /nfs/dbraw/zinc/68/73/04/707687304.db2.gz LRTMQHPQNSMYNY-GDBMZVCRSA-N 2 1 349.479 1.661 20 0 EDADMP C[C@@H]([NH2+]Cc1cnon1)[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001004942104 707687306 /nfs/dbraw/zinc/68/73/06/707687306.db2.gz LRTMQHPQNSMYNY-GDBMZVCRSA-N 2 1 349.479 1.661 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415872 707793927 /nfs/dbraw/zinc/79/39/27/707793927.db2.gz MBPFMXDTNRHVSF-ZBFHGGJFSA-N 2 1 334.464 1.754 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415872 707793931 /nfs/dbraw/zinc/79/39/31/707793931.db2.gz MBPFMXDTNRHVSF-ZBFHGGJFSA-N 2 1 334.464 1.754 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033415872 707793935 /nfs/dbraw/zinc/79/39/35/707793935.db2.gz MBPFMXDTNRHVSF-ZBFHGGJFSA-N 2 1 334.464 1.754 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033415872 707793940 /nfs/dbraw/zinc/79/39/40/707793940.db2.gz MBPFMXDTNRHVSF-ZBFHGGJFSA-N 2 1 334.464 1.754 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001000191032 707831494 /nfs/dbraw/zinc/83/14/94/707831494.db2.gz HPVNPDSCMBNOGK-HOCLYGCPSA-N 2 1 347.463 1.050 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)o1 ZINC001033420479 707831579 /nfs/dbraw/zinc/83/15/79/707831579.db2.gz PPKVAYWXKCKWKZ-XJKSGUPXSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)o1 ZINC001033420479 707831586 /nfs/dbraw/zinc/83/15/86/707831586.db2.gz PPKVAYWXKCKWKZ-XJKSGUPXSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)o1 ZINC001033420479 707831588 /nfs/dbraw/zinc/83/15/88/707831588.db2.gz PPKVAYWXKCKWKZ-XJKSGUPXSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)o1 ZINC001033420479 707831592 /nfs/dbraw/zinc/83/15/92/707831592.db2.gz PPKVAYWXKCKWKZ-XJKSGUPXSA-N 2 1 334.464 1.666 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423922 707840552 /nfs/dbraw/zinc/84/05/52/707840552.db2.gz VRWADPLNFVABKI-APWZRJJASA-N 2 1 347.503 1.972 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccnn1C ZINC001004988081 707844428 /nfs/dbraw/zinc/84/44/28/707844428.db2.gz ADXALSJADQAPJF-PBHICJAKSA-N 2 1 344.463 1.484 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001033474618 707964106 /nfs/dbraw/zinc/96/41/06/707964106.db2.gz ITPCROWPRYGKHT-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001000377924 708003442 /nfs/dbraw/zinc/00/34/42/708003442.db2.gz LOGMWKPRZXWOIB-GDBMZVCRSA-N 2 1 335.452 1.413 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001000377924 708003445 /nfs/dbraw/zinc/00/34/45/708003445.db2.gz LOGMWKPRZXWOIB-GDBMZVCRSA-N 2 1 335.452 1.413 20 0 EDADMP CCc1nc(NC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc(C)[nH+]1 ZINC001060992335 708109901 /nfs/dbraw/zinc/10/99/01/708109901.db2.gz RWVVHNBCVLZZKB-ZBFHGGJFSA-N 2 1 345.491 1.950 20 0 EDADMP CCc1nc(NC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc(C)[nH+]1 ZINC001060992335 708109904 /nfs/dbraw/zinc/10/99/04/708109904.db2.gz RWVVHNBCVLZZKB-ZBFHGGJFSA-N 2 1 345.491 1.950 20 0 EDADMP CO[C@H](C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1)C1CCC1 ZINC001005184567 708111241 /nfs/dbraw/zinc/11/12/41/708111241.db2.gz ODHMVITXZZRLDK-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP COc1ncccc1C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001005179911 708122844 /nfs/dbraw/zinc/12/28/44/708122844.db2.gz OYVKFQCIKGGMRU-QGZVFWFLSA-N 2 1 346.475 1.607 20 0 EDADMP COc1ncccc1C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001005179911 708122846 /nfs/dbraw/zinc/12/28/46/708122846.db2.gz OYVKFQCIKGGMRU-QGZVFWFLSA-N 2 1 346.475 1.607 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001016260131 708160195 /nfs/dbraw/zinc/16/01/95/708160195.db2.gz MNIDAABSLFHTJL-DLBZAZTESA-N 2 1 328.416 1.116 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001016260131 708160198 /nfs/dbraw/zinc/16/01/98/708160198.db2.gz MNIDAABSLFHTJL-DLBZAZTESA-N 2 1 328.416 1.116 20 0 EDADMP CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC001001525460 708161164 /nfs/dbraw/zinc/16/11/64/708161164.db2.gz XPDYIYYKEYVDCD-WBVHZDCISA-N 2 1 335.423 1.415 20 0 EDADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001005209599 708235143 /nfs/dbraw/zinc/23/51/43/708235143.db2.gz MJXZLDUQPBHQTB-QGZVFWFLSA-N 2 1 325.497 1.676 20 0 EDADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001005209599 708235145 /nfs/dbraw/zinc/23/51/45/708235145.db2.gz MJXZLDUQPBHQTB-QGZVFWFLSA-N 2 1 325.497 1.676 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033582393 708265837 /nfs/dbraw/zinc/26/58/37/708265837.db2.gz OQKQVHASJXUVPY-JKSUJKDBSA-N 2 1 349.479 1.185 20 0 EDADMP Cc1noc(CCC[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001033582393 708265838 /nfs/dbraw/zinc/26/58/38/708265838.db2.gz OQKQVHASJXUVPY-JKSUJKDBSA-N 2 1 349.479 1.185 20 0 EDADMP Cc1noc(CCC[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033582393 708265840 /nfs/dbraw/zinc/26/58/40/708265840.db2.gz OQKQVHASJXUVPY-JKSUJKDBSA-N 2 1 349.479 1.185 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001033591824 708290324 /nfs/dbraw/zinc/29/03/24/708290324.db2.gz CPRSKISNKVSWFY-HNNXBMFYSA-N 2 1 332.448 1.420 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001033591824 708290326 /nfs/dbraw/zinc/29/03/26/708290326.db2.gz CPRSKISNKVSWFY-HNNXBMFYSA-N 2 1 332.448 1.420 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001033593909 708294423 /nfs/dbraw/zinc/29/44/23/708294423.db2.gz OCHMUDSUMKCTOZ-MRXNPFEDSA-N 2 1 344.459 1.219 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001033593909 708294424 /nfs/dbraw/zinc/29/44/24/708294424.db2.gz OCHMUDSUMKCTOZ-MRXNPFEDSA-N 2 1 344.459 1.219 20 0 EDADMP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC001001835723 708340132 /nfs/dbraw/zinc/34/01/32/708340132.db2.gz ZJOQBSJHXARXFH-RDTXWAMCSA-N 2 1 345.491 1.311 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)sc1C ZINC001033658681 708425244 /nfs/dbraw/zinc/42/52/44/708425244.db2.gz BGPVUSGLCXLXTH-HUUCEWRRSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)sc1C ZINC001033658681 708425245 /nfs/dbraw/zinc/42/52/45/708425245.db2.gz BGPVUSGLCXLXTH-HUUCEWRRSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)sc1C ZINC001033658681 708425248 /nfs/dbraw/zinc/42/52/48/708425248.db2.gz BGPVUSGLCXLXTH-HUUCEWRRSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)sc1C ZINC001033658681 708425251 /nfs/dbraw/zinc/42/52/51/708425251.db2.gz BGPVUSGLCXLXTH-HUUCEWRRSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)sc1C ZINC001033658679 708425386 /nfs/dbraw/zinc/42/53/86/708425386.db2.gz BGPVUSGLCXLXTH-GJZGRUSLSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)sc1C ZINC001033658679 708425387 /nfs/dbraw/zinc/42/53/87/708425387.db2.gz BGPVUSGLCXLXTH-GJZGRUSLSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)sc1C ZINC001033658679 708425388 /nfs/dbraw/zinc/42/53/88/708425388.db2.gz BGPVUSGLCXLXTH-GJZGRUSLSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)sc1C ZINC001033658679 708425389 /nfs/dbraw/zinc/42/53/89/708425389.db2.gz BGPVUSGLCXLXTH-GJZGRUSLSA-N 2 1 336.505 1.744 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033671200 708461400 /nfs/dbraw/zinc/46/14/00/708461400.db2.gz GEJWLXYVZBVPQR-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033671200 708461402 /nfs/dbraw/zinc/46/14/02/708461402.db2.gz GEJWLXYVZBVPQR-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001033671200 708461404 /nfs/dbraw/zinc/46/14/04/708461404.db2.gz GEJWLXYVZBVPQR-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001033671200 708461405 /nfs/dbraw/zinc/46/14/05/708461405.db2.gz GEJWLXYVZBVPQR-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033658701 708469361 /nfs/dbraw/zinc/46/93/61/708469361.db2.gz BIQSGQWPDIRTSC-DLBZAZTESA-N 2 1 331.460 1.680 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC(C)(C)C)C2)C1 ZINC001033678301 708487103 /nfs/dbraw/zinc/48/71/03/708487103.db2.gz DZGUVCPPAMCXFD-JKSUJKDBSA-N 2 1 325.497 1.676 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC(C)(C)C)C2)C1 ZINC001033678301 708487106 /nfs/dbraw/zinc/48/71/06/708487106.db2.gz DZGUVCPPAMCXFD-JKSUJKDBSA-N 2 1 325.497 1.676 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001033678301 708487108 /nfs/dbraw/zinc/48/71/08/708487108.db2.gz DZGUVCPPAMCXFD-JKSUJKDBSA-N 2 1 325.497 1.676 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001033678301 708487110 /nfs/dbraw/zinc/48/71/10/708487110.db2.gz DZGUVCPPAMCXFD-JKSUJKDBSA-N 2 1 325.497 1.676 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033687172 708502118 /nfs/dbraw/zinc/50/21/18/708502118.db2.gz ZIMHWCCDOQFVHP-DLBZAZTESA-N 2 1 333.480 1.290 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033687172 708502121 /nfs/dbraw/zinc/50/21/21/708502121.db2.gz ZIMHWCCDOQFVHP-DLBZAZTESA-N 2 1 333.480 1.290 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033687172 708502122 /nfs/dbraw/zinc/50/21/22/708502122.db2.gz ZIMHWCCDOQFVHP-DLBZAZTESA-N 2 1 333.480 1.290 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2nccc(C)n2)C1 ZINC001033833354 708858757 /nfs/dbraw/zinc/85/87/57/708858757.db2.gz GAUCBBYRTNNUPM-BRWVUGGUSA-N 2 1 345.491 1.548 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033837015 708864759 /nfs/dbraw/zinc/86/47/59/708864759.db2.gz QFLSJHFELHGOQA-MOPGFXCFSA-N 2 1 349.519 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CCn2cncn2)CC1 ZINC001005474386 709110498 /nfs/dbraw/zinc/11/04/98/709110498.db2.gz DCVKMNZBIFUPCK-QGZVFWFLSA-N 2 1 348.495 1.075 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC001034013719 709227721 /nfs/dbraw/zinc/22/77/21/709227721.db2.gz RCNKJHCAGXWTKF-MRXNPFEDSA-N 2 1 346.475 1.810 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001034037671 709269885 /nfs/dbraw/zinc/26/98/85/709269885.db2.gz DHIBVVWMKGHBMB-LSDHHAIUSA-N 2 1 336.505 1.560 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC001034037671 709269888 /nfs/dbraw/zinc/26/98/88/709269888.db2.gz DHIBVVWMKGHBMB-LSDHHAIUSA-N 2 1 336.505 1.560 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC001034037671 709269890 /nfs/dbraw/zinc/26/98/90/709269890.db2.gz DHIBVVWMKGHBMB-LSDHHAIUSA-N 2 1 336.505 1.560 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001034044048 709295943 /nfs/dbraw/zinc/29/59/43/709295943.db2.gz ZPCLOVGODFFMRK-ROUUACIJSA-N 2 1 330.476 1.765 20 0 EDADMP C[C@@]12CN(C(=O)C3CC[NH2+]CC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702076817 709312242 /nfs/dbraw/zinc/31/22/42/709312242.db2.gz OIEHXKLQNOHIHS-AZUAARDMSA-N 2 1 327.472 1.967 20 0 EDADMP Cn1nccc1CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034129518 709398881 /nfs/dbraw/zinc/39/88/81/709398881.db2.gz CJSDSMLBLCONBG-NVXWUHKLSA-N 2 1 333.480 1.028 20 0 EDADMP Cn1nccc1CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034129518 709398885 /nfs/dbraw/zinc/39/88/85/709398885.db2.gz CJSDSMLBLCONBG-NVXWUHKLSA-N 2 1 333.480 1.028 20 0 EDADMP Cn1nccc1CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034129518 709398888 /nfs/dbraw/zinc/39/88/88/709398888.db2.gz CJSDSMLBLCONBG-NVXWUHKLSA-N 2 1 333.480 1.028 20 0 EDADMP Cc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034135850 709406650 /nfs/dbraw/zinc/40/66/50/709406650.db2.gz FRRKACPIWDWTFJ-ROUUACIJSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1ncccc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034135850 709406651 /nfs/dbraw/zinc/40/66/51/709406651.db2.gz FRRKACPIWDWTFJ-ROUUACIJSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1ncccc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034135850 709406653 /nfs/dbraw/zinc/40/66/53/709406653.db2.gz FRRKACPIWDWTFJ-ROUUACIJSA-N 2 1 330.476 1.955 20 0 EDADMP Cn1nccc1CN1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002802330 709417003 /nfs/dbraw/zinc/41/70/03/709417003.db2.gz OMNJESXDKIYBFT-RDJZCZTQSA-N 2 1 345.491 1.375 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002802330 709417006 /nfs/dbraw/zinc/41/70/06/709417006.db2.gz OMNJESXDKIYBFT-RDJZCZTQSA-N 2 1 345.491 1.375 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002802330 709417008 /nfs/dbraw/zinc/41/70/08/709417008.db2.gz OMNJESXDKIYBFT-RDJZCZTQSA-N 2 1 345.491 1.375 20 0 EDADMP Cc1ncoc1C[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002812849 709420656 /nfs/dbraw/zinc/42/06/56/709420656.db2.gz UUFKLAZZIGDYJT-DOTOQJQBSA-N 2 1 346.475 1.938 20 0 EDADMP C[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001002822977 709432742 /nfs/dbraw/zinc/43/27/42/709432742.db2.gz JOCRFCFUFUBZQV-HOTGVXAUSA-N 2 1 337.508 1.602 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC001002851919 709461872 /nfs/dbraw/zinc/46/18/72/709461872.db2.gz LVOFVAADQWTBBX-MLGOLLRUSA-N 2 1 336.505 1.872 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](Cc2ccccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034207868 709555636 /nfs/dbraw/zinc/55/56/36/709555636.db2.gz PJZZEHXBECNKLQ-OALUTQOASA-N 2 1 342.487 1.894 20 0 EDADMP COC[C@H](C)[N@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290793 709716125 /nfs/dbraw/zinc/71/61/25/709716125.db2.gz IYGYDBVVQAKNQY-HOCLYGCPSA-N 2 1 330.432 1.954 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](C[C@@H]2CCOC2)C1)c1ccc2c[nH+]cn2c1 ZINC001034310019 709753135 /nfs/dbraw/zinc/75/31/35/709753135.db2.gz RWSJKDCJKPVZHC-DOTOQJQBSA-N 2 1 342.443 1.955 20 0 EDADMP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364404 709883875 /nfs/dbraw/zinc/88/38/75/709883875.db2.gz UFIJACPFXNHDNW-IAGOWNOFSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364404 709883880 /nfs/dbraw/zinc/88/38/80/709883880.db2.gz UFIJACPFXNHDNW-IAGOWNOFSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034364404 709883885 /nfs/dbraw/zinc/88/38/85/709883885.db2.gz UFIJACPFXNHDNW-IAGOWNOFSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034364404 709883889 /nfs/dbraw/zinc/88/38/89/709883889.db2.gz UFIJACPFXNHDNW-IAGOWNOFSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364405 709883937 /nfs/dbraw/zinc/88/39/37/709883937.db2.gz UFIJACPFXNHDNW-IRXDYDNUSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364405 709883941 /nfs/dbraw/zinc/88/39/41/709883941.db2.gz UFIJACPFXNHDNW-IRXDYDNUSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034364405 709883947 /nfs/dbraw/zinc/88/39/47/709883947.db2.gz UFIJACPFXNHDNW-IRXDYDNUSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034364405 709883952 /nfs/dbraw/zinc/88/39/52/709883952.db2.gz UFIJACPFXNHDNW-IRXDYDNUSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1nocc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034397194 709937508 /nfs/dbraw/zinc/93/75/08/709937508.db2.gz JHUHGAZDBNVRHF-YOEHRIQHSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nocc1C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034397194 709937511 /nfs/dbraw/zinc/93/75/11/709937511.db2.gz JHUHGAZDBNVRHF-YOEHRIQHSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nocc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034397194 709937513 /nfs/dbraw/zinc/93/75/13/709937513.db2.gz JHUHGAZDBNVRHF-YOEHRIQHSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nocc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034397194 709937516 /nfs/dbraw/zinc/93/75/16/709937516.db2.gz JHUHGAZDBNVRHF-YOEHRIQHSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCOCC2)C1 ZINC001034398159 709939591 /nfs/dbraw/zinc/93/95/91/709939591.db2.gz MXZRLISTEHZJHV-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC001034398159 709939594 /nfs/dbraw/zinc/93/95/94/709939594.db2.gz MXZRLISTEHZJHV-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CCOCC2)C1 ZINC001034398159 709939599 /nfs/dbraw/zinc/93/95/99/709939599.db2.gz MXZRLISTEHZJHV-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP COCC[N@H+]1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034439654 710016048 /nfs/dbraw/zinc/01/60/48/710016048.db2.gz WNMREMJTEGCQQR-IRXDYDNUSA-N 2 1 325.497 1.868 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCc2ccns2)CC1 ZINC001003157661 710060605 /nfs/dbraw/zinc/06/06/05/710060605.db2.gz DTWBLACNYCGLHV-MRXNPFEDSA-N 2 1 336.505 1.751 20 0 EDADMP CO[C@H](C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1)C1CCC1 ZINC001003161129 710070302 /nfs/dbraw/zinc/07/03/02/710070302.db2.gz UZGYLBWWQLXXCO-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001003167733 710079538 /nfs/dbraw/zinc/07/95/38/710079538.db2.gz PEXDGXXYLKZUDS-QGZVFWFLSA-N 2 1 346.475 1.655 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001003167733 710079542 /nfs/dbraw/zinc/07/95/42/710079542.db2.gz PEXDGXXYLKZUDS-QGZVFWFLSA-N 2 1 346.475 1.655 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC001034490740 710109943 /nfs/dbraw/zinc/10/99/43/710109943.db2.gz LZJMMQUWKICUGW-QGZVFWFLSA-N 2 1 335.492 1.480 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001003230242 710151006 /nfs/dbraw/zinc/15/10/06/710151006.db2.gz MJJZOALCDWFHIU-WMZOPIPTSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1ccncc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034523861 710171722 /nfs/dbraw/zinc/17/17/22/710171722.db2.gz CELWXKAVVCFDJF-FUHWJXTLSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ccncc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034523861 710171725 /nfs/dbraw/zinc/17/17/25/710171725.db2.gz CELWXKAVVCFDJF-FUHWJXTLSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ccncc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034523861 710171728 /nfs/dbraw/zinc/17/17/28/710171728.db2.gz CELWXKAVVCFDJF-FUHWJXTLSA-N 2 1 330.476 1.812 20 0 EDADMP COc1ccnc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001034525436 710175493 /nfs/dbraw/zinc/17/54/93/710175493.db2.gz MSMHCCDLTNWWPZ-CVEARBPZSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccnc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001034525436 710175496 /nfs/dbraw/zinc/17/54/96/710175496.db2.gz MSMHCCDLTNWWPZ-CVEARBPZSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccnc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001034525436 710175499 /nfs/dbraw/zinc/17/54/99/710175499.db2.gz MSMHCCDLTNWWPZ-CVEARBPZSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccnc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001034525436 710175502 /nfs/dbraw/zinc/17/55/02/710175502.db2.gz MSMHCCDLTNWWPZ-CVEARBPZSA-N 2 1 346.475 1.513 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034525429 710175669 /nfs/dbraw/zinc/17/56/69/710175669.db2.gz MPCJHDTWKBLKEX-JKSUJKDBSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1noc(C)c1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034525429 710175671 /nfs/dbraw/zinc/17/56/71/710175671.db2.gz MPCJHDTWKBLKEX-JKSUJKDBSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1noc(C)c1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034525429 710175673 /nfs/dbraw/zinc/17/56/73/710175673.db2.gz MPCJHDTWKBLKEX-JKSUJKDBSA-N 2 1 348.491 1.968 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](CCOC2CCC2)C1 ZINC001034529579 710184846 /nfs/dbraw/zinc/18/48/46/710184846.db2.gz JTCXFXCGMKPATI-INIZCTEOSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](CCOC2CCC2)C1 ZINC001034529579 710184848 /nfs/dbraw/zinc/18/48/48/710184848.db2.gz JTCXFXCGMKPATI-INIZCTEOSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc1 ZINC001034606737 710269772 /nfs/dbraw/zinc/26/97/72/710269772.db2.gz BYPRMNHENUFGMG-JYJNAYRXSA-N 2 1 331.464 1.396 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001034613288 710288378 /nfs/dbraw/zinc/28/83/78/710288378.db2.gz YQRFTNIBBSFUAP-JYJNAYRXSA-N 2 1 348.495 1.218 20 0 EDADMP CCc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001034608287 710300363 /nfs/dbraw/zinc/30/03/63/710300363.db2.gz ZGMHXTHFLDDCEX-TUVASFSCSA-N 2 1 349.479 1.804 20 0 EDADMP CCc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001034608287 710300364 /nfs/dbraw/zinc/30/03/64/710300364.db2.gz ZGMHXTHFLDDCEX-TUVASFSCSA-N 2 1 349.479 1.804 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000922164530 710307348 /nfs/dbraw/zinc/30/73/48/710307348.db2.gz VOYRLKYYCMCEKL-LJQANCHMSA-N 2 1 344.503 1.718 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nonc2C)CC1 ZINC001034658750 710342676 /nfs/dbraw/zinc/34/26/76/710342676.db2.gz DSXBIHVQVGIJFF-ZOBUZTSGSA-N 2 1 349.479 1.769 20 0 EDADMP CC[C@H](C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1)OC ZINC001003494965 710380344 /nfs/dbraw/zinc/38/03/44/710380344.db2.gz IAEMGGNTCJXEFF-IAGOWNOFSA-N 2 1 341.496 1.101 20 0 EDADMP CC[C@H](C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1)OC ZINC001003494965 710380347 /nfs/dbraw/zinc/38/03/47/710380347.db2.gz IAEMGGNTCJXEFF-IAGOWNOFSA-N 2 1 341.496 1.101 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2nn(C)cc2C)CC1 ZINC000929280617 710420849 /nfs/dbraw/zinc/42/08/49/710420849.db2.gz VFHWQHPGTJCLTC-UHFFFAOYSA-N 2 1 349.523 1.789 20 0 EDADMP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001003624101 710453665 /nfs/dbraw/zinc/45/36/65/710453665.db2.gz MAWALRKHYLEJED-AWEZNQCLSA-N 2 1 334.439 1.786 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001003624101 710453668 /nfs/dbraw/zinc/45/36/68/710453668.db2.gz MAWALRKHYLEJED-AWEZNQCLSA-N 2 1 334.439 1.786 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001003626103 710455365 /nfs/dbraw/zinc/45/53/65/710455365.db2.gz MAIRWRHORATGDL-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003633768 710461957 /nfs/dbraw/zinc/46/19/57/710461957.db2.gz HRQRJXUXTBPABT-SUMWQHHRSA-N 2 1 333.480 1.007 20 0 EDADMP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003741781 710524466 /nfs/dbraw/zinc/52/44/66/710524466.db2.gz TZWNSWKRKUWUCC-HOTGVXAUSA-N 2 1 338.496 1.094 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1)[C@@H]1CCCc2[nH+]ccn21 ZINC001034660874 710591354 /nfs/dbraw/zinc/59/13/54/710591354.db2.gz FRROTEHETXVPTO-DZKIICNBSA-N 2 1 343.431 1.966 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001005592444 710639543 /nfs/dbraw/zinc/63/95/43/710639543.db2.gz MNFQXXXZJAAWCQ-FUHWJXTLSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001034713453 710845871 /nfs/dbraw/zinc/84/58/71/710845871.db2.gz RWZDDMKVASDGDP-ULQDDVLXSA-N 2 1 325.497 1.769 20 0 EDADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001034713453 710845877 /nfs/dbraw/zinc/84/58/77/710845877.db2.gz RWZDDMKVASDGDP-ULQDDVLXSA-N 2 1 325.497 1.769 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnsn3)CC2)C1 ZINC001034734097 710915797 /nfs/dbraw/zinc/91/57/97/710915797.db2.gz KNPPMYLZDCGOAJ-IHRRRGAJSA-N 2 1 337.493 1.397 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnsn3)CC2)C1 ZINC001034734097 710915800 /nfs/dbraw/zinc/91/58/00/710915800.db2.gz KNPPMYLZDCGOAJ-IHRRRGAJSA-N 2 1 337.493 1.397 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001034737026 710948431 /nfs/dbraw/zinc/94/84/31/710948431.db2.gz GUVAMHSCRSMOFG-NBOOPKSLSA-N 2 1 347.507 1.618 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)cc1 ZINC001032967398 711027812 /nfs/dbraw/zinc/02/78/12/711027812.db2.gz IMCOQFYZSCJDQP-AEFFLSMTSA-N 2 1 331.460 1.822 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001032967398 711027818 /nfs/dbraw/zinc/02/78/18/711027818.db2.gz IMCOQFYZSCJDQP-AEFFLSMTSA-N 2 1 331.460 1.822 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001032967398 711027821 /nfs/dbraw/zinc/02/78/21/711027821.db2.gz IMCOQFYZSCJDQP-AEFFLSMTSA-N 2 1 331.460 1.822 20 0 EDADMP CCc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032975297 711065010 /nfs/dbraw/zinc/06/50/10/711065010.db2.gz HDWSQVNXPCDAKT-RBUKOAKNSA-N 2 1 345.487 1.612 20 0 EDADMP CCc1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032975297 711065014 /nfs/dbraw/zinc/06/50/14/711065014.db2.gz HDWSQVNXPCDAKT-RBUKOAKNSA-N 2 1 345.487 1.612 20 0 EDADMP CCc1ccccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032975297 711065015 /nfs/dbraw/zinc/06/50/15/711065015.db2.gz HDWSQVNXPCDAKT-RBUKOAKNSA-N 2 1 345.487 1.612 20 0 EDADMP CCc1ccccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032975297 711065019 /nfs/dbraw/zinc/06/50/19/711065019.db2.gz HDWSQVNXPCDAKT-RBUKOAKNSA-N 2 1 345.487 1.612 20 0 EDADMP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034779088 711083270 /nfs/dbraw/zinc/08/32/70/711083270.db2.gz OVOFERDPNLJMOG-JYJNAYRXSA-N 2 1 348.495 1.157 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1 ZINC001034794485 711111048 /nfs/dbraw/zinc/11/10/48/711111048.db2.gz KKXYZVCSRZQYLS-HDJSIYSDSA-N 2 1 333.461 1.865 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nc(C4CC4)no3)CC2)C1 ZINC001034792010 711118511 /nfs/dbraw/zinc/11/85/11/711118511.db2.gz BUARIWOOWHUMMT-KKUMJFAQSA-N 2 1 347.463 1.416 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nc(C4CC4)no3)CC2)C1 ZINC001034792010 711118513 /nfs/dbraw/zinc/11/85/13/711118513.db2.gz BUARIWOOWHUMMT-KKUMJFAQSA-N 2 1 347.463 1.416 20 0 EDADMP CCc1nc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001034792958 711121218 /nfs/dbraw/zinc/12/12/18/711121218.db2.gz PQOIHKXPNADDNF-MGPQQGTHSA-N 2 1 335.452 1.101 20 0 EDADMP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC001034792958 711121221 /nfs/dbraw/zinc/12/12/21/711121221.db2.gz PQOIHKXPNADDNF-MGPQQGTHSA-N 2 1 335.452 1.101 20 0 EDADMP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001034792958 711121226 /nfs/dbraw/zinc/12/12/26/711121226.db2.gz PQOIHKXPNADDNF-MGPQQGTHSA-N 2 1 335.452 1.101 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3ccc(CO)cc3)CC2)C1 ZINC001003976980 711147204 /nfs/dbraw/zinc/14/72/04/711147204.db2.gz UWCNOHDDDHZRML-SFHVURJKSA-N 2 1 345.487 1.601 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccncc2Cl)CC1)C12CC[NH+](CC1)C2 ZINC001003981072 711163545 /nfs/dbraw/zinc/16/35/45/711163545.db2.gz YXJAQKMHRNGUMG-UHFFFAOYSA-N 2 1 348.878 1.911 20 0 EDADMP Cn1cc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2)cn1 ZINC001034812539 711182643 /nfs/dbraw/zinc/18/26/43/711182643.db2.gz NESYERIBPSLKKQ-GOSISDBHSA-N 2 1 341.459 1.420 20 0 EDADMP Cc1nocc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001034830788 711236778 /nfs/dbraw/zinc/23/67/78/711236778.db2.gz DUDHWHJIAXSCCY-QGZVFWFLSA-N 2 1 342.443 1.841 20 0 EDADMP CN(C)c1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)ccn1 ZINC001034882344 711283182 /nfs/dbraw/zinc/28/31/82/711283182.db2.gz VCXGAVNYMIQZCY-SJORKVTESA-N 2 1 345.491 1.322 20 0 EDADMP Cc1nocc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001034934495 711360823 /nfs/dbraw/zinc/36/08/23/711360823.db2.gz OBPLKLVUMLYFSD-SJORKVTESA-N 2 1 334.464 1.936 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001034958866 711432796 /nfs/dbraw/zinc/43/27/96/711432796.db2.gz MVUIUFXYLBLUQS-ZWKOTPCHSA-N 2 1 347.507 1.764 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(C)no2)CC[N@H+]1C ZINC001034940922 711445085 /nfs/dbraw/zinc/44/50/85/711445085.db2.gz HJRRVBIUHYTLOA-HYVNUMGLSA-N 2 1 334.464 1.794 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1c3c(nn1C)CCOC3)C2 ZINC000922385570 711445408 /nfs/dbraw/zinc/44/54/08/711445408.db2.gz JFMZGBDJUAJGAI-NXWXRZEISA-N 2 1 348.491 1.062 20 0 EDADMP Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001034971895 711451630 /nfs/dbraw/zinc/45/16/30/711451630.db2.gz YSQYGIDYSJDMFV-BHIYHBOVSA-N 2 1 345.487 1.795 20 0 EDADMP Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001034971895 711451631 /nfs/dbraw/zinc/45/16/31/711451631.db2.gz YSQYGIDYSJDMFV-BHIYHBOVSA-N 2 1 345.487 1.795 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)C2 ZINC000922390455 711453920 /nfs/dbraw/zinc/45/39/20/711453920.db2.gz MUPICEFTWJMLMA-GBOPCIDUSA-N 2 1 346.397 1.998 20 0 EDADMP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2C[NH+]3CCC2CC3)nc(C)[nH+]1 ZINC001061395619 711472528 /nfs/dbraw/zinc/47/25/28/711472528.db2.gz MTHSHLLDVMZZPD-IAGOWNOFSA-N 2 1 343.475 1.520 20 0 EDADMP Cc1nc(CC[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cs1 ZINC001004145807 711555790 /nfs/dbraw/zinc/55/57/90/711555790.db2.gz VAGKPRLEIAJCHD-CQSZACIVSA-N 2 1 336.505 1.526 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cncc(C)c3)CC2)C1 ZINC001004184034 711625861 /nfs/dbraw/zinc/62/58/61/711625861.db2.gz BLWBJGJDEICKKU-GOSISDBHSA-N 2 1 346.475 1.191 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cncc(C)c3)CC2)C1 ZINC001004184034 711625864 /nfs/dbraw/zinc/62/58/64/711625864.db2.gz BLWBJGJDEICKKU-GOSISDBHSA-N 2 1 346.475 1.191 20 0 EDADMP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004477198 711857426 /nfs/dbraw/zinc/85/74/26/711857426.db2.gz OPSSEFJRMHJIJZ-SFHVURJKSA-N 2 1 349.519 1.964 20 0 EDADMP CC1CC[NH+](CC(=O)N2CCC([C@H]3CCC[N@H+]3CCO)CC2)CC1 ZINC001004587169 712021565 /nfs/dbraw/zinc/02/15/65/712021565.db2.gz XNHUWVOSCRJMNS-GOSISDBHSA-N 2 1 337.508 1.414 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCF)CC2)C1 ZINC001004618032 712078303 /nfs/dbraw/zinc/07/83/03/712078303.db2.gz AMEDEVKZXGVSPP-IRXDYDNUSA-N 2 1 341.471 1.380 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCF)CC2)C1 ZINC001004618032 712078304 /nfs/dbraw/zinc/07/83/04/712078304.db2.gz AMEDEVKZXGVSPP-IRXDYDNUSA-N 2 1 341.471 1.380 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CCF)CC2)C1 ZINC001004618032 712078305 /nfs/dbraw/zinc/07/83/05/712078305.db2.gz AMEDEVKZXGVSPP-IRXDYDNUSA-N 2 1 341.471 1.380 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CCF)CC2)C1 ZINC001004618032 712078307 /nfs/dbraw/zinc/07/83/07/712078307.db2.gz AMEDEVKZXGVSPP-IRXDYDNUSA-N 2 1 341.471 1.380 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC3CC3)CC2)C1 ZINC001004618110 712078327 /nfs/dbraw/zinc/07/83/27/712078327.db2.gz BCWXHRBSARQJGX-RTBURBONSA-N 2 1 349.519 1.820 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC3CC3)CC2)C1 ZINC001004618110 712078328 /nfs/dbraw/zinc/07/83/28/712078328.db2.gz BCWXHRBSARQJGX-RTBURBONSA-N 2 1 349.519 1.820 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001004618110 712078329 /nfs/dbraw/zinc/07/83/29/712078329.db2.gz BCWXHRBSARQJGX-RTBURBONSA-N 2 1 349.519 1.820 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC3CC3)CC2)C1 ZINC001004618110 712078330 /nfs/dbraw/zinc/07/83/30/712078330.db2.gz BCWXHRBSARQJGX-RTBURBONSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C[N@H+]3CC[C@H](C)C3)CC2)oc1C ZINC000557594505 306230411 /nfs/dbraw/zinc/23/04/11/306230411.db2.gz BRGWZUBRUWGERS-AWEZNQCLSA-N 2 1 348.491 1.961 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)oc1C ZINC000557594505 306230412 /nfs/dbraw/zinc/23/04/12/306230412.db2.gz BRGWZUBRUWGERS-AWEZNQCLSA-N 2 1 348.491 1.961 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000168003084 529374478 /nfs/dbraw/zinc/37/44/78/529374478.db2.gz OQKIFCIPQRYVRN-ATLSCFEFSA-N 2 1 333.476 1.626 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000052552944 214134330 /nfs/dbraw/zinc/13/43/30/214134330.db2.gz KFAJMFXZSTZCHB-SFHVURJKSA-N 2 1 345.491 1.830 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000558554468 306239659 /nfs/dbraw/zinc/23/96/59/306239659.db2.gz BEGAINQWRSAHBV-IBGZPJMESA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000558554468 306239660 /nfs/dbraw/zinc/23/96/60/306239660.db2.gz BEGAINQWRSAHBV-IBGZPJMESA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000458505461 282193079 /nfs/dbraw/zinc/19/30/79/282193079.db2.gz NDKOFRDVAUGTGH-ARFHVFGLSA-N 2 1 326.485 1.005 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)CC2)c1 ZINC000558824958 306247295 /nfs/dbraw/zinc/24/72/95/306247295.db2.gz YVJOXBRLAKAHBZ-QGZVFWFLSA-N 2 1 345.491 1.952 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3CC[N@H+](C(C)C)C3)CC2)c1 ZINC000558824958 306247296 /nfs/dbraw/zinc/24/72/96/306247296.db2.gz YVJOXBRLAKAHBZ-QGZVFWFLSA-N 2 1 345.491 1.952 20 0 EDADMP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000354836090 282237917 /nfs/dbraw/zinc/23/79/17/282237917.db2.gz AVXFHGJMXBNWEW-RBUKOAKNSA-N 2 1 344.503 1.574 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)C1CC1 ZINC000104856379 282245225 /nfs/dbraw/zinc/24/52/25/282245225.db2.gz ILCUWCMYNZVRLG-MOPGFXCFSA-N 2 1 345.487 1.641 20 0 EDADMP CCC(CC)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000360165762 282274851 /nfs/dbraw/zinc/27/48/51/282274851.db2.gz YVABQVXIHFGNHX-KRWDZBQOSA-N 2 1 325.497 1.581 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000132174383 530032778 /nfs/dbraw/zinc/03/27/78/530032778.db2.gz OUIIAKJKAGXMEJ-ZDUSSCGKSA-N 2 1 327.494 1.833 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC000154228556 530062385 /nfs/dbraw/zinc/06/23/85/530062385.db2.gz UGZJEIMZCQVSOO-KURKYZTESA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154228556 530062386 /nfs/dbraw/zinc/06/23/86/530062386.db2.gz UGZJEIMZCQVSOO-KURKYZTESA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154228556 530062387 /nfs/dbraw/zinc/06/23/87/530062387.db2.gz UGZJEIMZCQVSOO-KURKYZTESA-N 2 1 331.460 1.080 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@](C)(O)C1 ZINC000177971965 232045290 /nfs/dbraw/zinc/04/52/90/232045290.db2.gz ZSGSRSRQWJKIAG-OXQOHEQNSA-N 2 1 345.487 1.612 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000177994021 232053222 /nfs/dbraw/zinc/05/32/22/232053222.db2.gz DESQHKBDKAMGBJ-HUUCEWRRSA-N 2 1 325.478 1.346 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000177994021 232053226 /nfs/dbraw/zinc/05/32/26/232053226.db2.gz DESQHKBDKAMGBJ-HUUCEWRRSA-N 2 1 325.478 1.346 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000339273724 539704696 /nfs/dbraw/zinc/70/46/96/539704696.db2.gz ZBAVPMWPXLMJLS-MSOLQXFVSA-N 2 1 337.508 1.964 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000339273724 539704699 /nfs/dbraw/zinc/70/46/99/539704699.db2.gz ZBAVPMWPXLMJLS-MSOLQXFVSA-N 2 1 337.508 1.964 20 0 EDADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@]1(N2CCOCC2)CCSC1 ZINC000166316346 539922840 /nfs/dbraw/zinc/92/28/40/539922840.db2.gz QJFNFWLLWYLVQT-GVDBMIGSSA-N 2 1 325.522 1.411 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[C@@H](C[NH+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000355356673 539954864 /nfs/dbraw/zinc/95/48/64/539954864.db2.gz YZRUOXZNVXWMMW-OGWHTMIXSA-N 2 1 339.524 1.120 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000355356673 539954867 /nfs/dbraw/zinc/95/48/67/539954867.db2.gz YZRUOXZNVXWMMW-OGWHTMIXSA-N 2 1 339.524 1.120 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000355356673 539954872 /nfs/dbraw/zinc/95/48/72/539954872.db2.gz YZRUOXZNVXWMMW-OGWHTMIXSA-N 2 1 339.524 1.120 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000355356673 539954882 /nfs/dbraw/zinc/95/48/82/539954882.db2.gz YZRUOXZNVXWMMW-OGWHTMIXSA-N 2 1 339.524 1.120 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000355356673 539954885 /nfs/dbraw/zinc/95/48/85/539954885.db2.gz YZRUOXZNVXWMMW-OGWHTMIXSA-N 2 1 339.524 1.120 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000355356673 539954888 /nfs/dbraw/zinc/95/48/88/539954888.db2.gz YZRUOXZNVXWMMW-OGWHTMIXSA-N 2 1 339.524 1.120 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000355356673 539954890 /nfs/dbraw/zinc/95/48/90/539954890.db2.gz YZRUOXZNVXWMMW-OGWHTMIXSA-N 2 1 339.524 1.120 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000562807007 306309683 /nfs/dbraw/zinc/30/96/83/306309683.db2.gz YDIDPAVFRSSXSA-FUHWJXTLSA-N 2 1 345.491 1.715 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000562807007 306309684 /nfs/dbraw/zinc/30/96/84/306309684.db2.gz YDIDPAVFRSSXSA-FUHWJXTLSA-N 2 1 345.491 1.715 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000346387025 535208202 /nfs/dbraw/zinc/20/82/02/535208202.db2.gz ZFIKUKHMTZVQDS-IXDOHACOSA-N 2 1 341.496 1.101 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000423858950 291028137 /nfs/dbraw/zinc/02/81/37/291028137.db2.gz FJCBGKRULCMECW-KBPBESRZSA-N 2 1 333.432 1.416 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000423858950 291028139 /nfs/dbraw/zinc/02/81/39/291028139.db2.gz FJCBGKRULCMECW-KBPBESRZSA-N 2 1 333.432 1.416 20 0 EDADMP C[NH+](C)CCn1nnnc1S[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000412998305 304048661 /nfs/dbraw/zinc/04/86/61/304048661.db2.gz YOXYJLBUCGZODF-OAHLLOKOSA-N 2 1 332.477 1.601 20 0 EDADMP CN(CCC[NH3+])C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000563489936 306335364 /nfs/dbraw/zinc/33/53/64/306335364.db2.gz PXNDTGDVSYWDSH-UHFFFAOYSA-N 2 1 332.448 1.069 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH+]1CCOCC1 ZINC000066687831 138180720 /nfs/dbraw/zinc/18/07/20/138180720.db2.gz WMYGVFXZNSNOQP-QGZVFWFLSA-N 2 1 340.512 1.663 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH+]1CCOCC1 ZINC000066687831 138180722 /nfs/dbraw/zinc/18/07/22/138180722.db2.gz WMYGVFXZNSNOQP-QGZVFWFLSA-N 2 1 340.512 1.663 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000089922239 138276056 /nfs/dbraw/zinc/27/60/56/138276056.db2.gz DDTSNPAJGJIFAC-UHFFFAOYSA-N 2 1 332.492 1.785 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000089922239 138276057 /nfs/dbraw/zinc/27/60/57/138276057.db2.gz DDTSNPAJGJIFAC-UHFFFAOYSA-N 2 1 332.492 1.785 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000109789849 138306224 /nfs/dbraw/zinc/30/62/24/138306224.db2.gz GUVZTMQXTHCDFI-UHFFFAOYSA-N 2 1 345.487 1.942 20 0 EDADMP CN(C)C(=O)C[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000133475812 138393885 /nfs/dbraw/zinc/39/38/85/138393885.db2.gz RLVOOSFPTFBSSN-KRWDZBQOSA-N 2 1 345.491 1.004 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)COC)CC2)CC1 ZINC000563823453 306348777 /nfs/dbraw/zinc/34/87/77/306348777.db2.gz TZRHOAZXCUJIIA-UHFFFAOYSA-N 2 1 325.497 1.724 20 0 EDADMP O=C(Nc1cccc2c1CC[NH2+]C2)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000563873782 306350961 /nfs/dbraw/zinc/35/09/61/306350961.db2.gz UEIKEJDMYPRBHL-HNNXBMFYSA-N 2 1 332.448 1.301 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000564652206 306362128 /nfs/dbraw/zinc/36/21/28/306362128.db2.gz FNQZEDIZPVMKRX-IPMKNSEASA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000564652206 306362129 /nfs/dbraw/zinc/36/21/29/306362129.db2.gz FNQZEDIZPVMKRX-IPMKNSEASA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000564652206 306362130 /nfs/dbraw/zinc/36/21/30/306362130.db2.gz FNQZEDIZPVMKRX-IPMKNSEASA-N 2 1 342.487 1.846 20 0 EDADMP C[N@@H+](C[C@H](O)CNc1ccc(CC[NH+]2CCOCC2)cc1)C1CC1 ZINC000564723469 306363713 /nfs/dbraw/zinc/36/37/13/306363713.db2.gz JZXVKLKIFJGPQJ-LJQANCHMSA-N 2 1 333.476 1.428 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)N[C@H]3CC[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000566021509 306397010 /nfs/dbraw/zinc/39/70/10/306397010.db2.gz ZRJBSOJGSYWGCA-BMGDILEWSA-N 2 1 344.459 1.634 20 0 EDADMP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@H]2C1 ZINC000566015006 306396574 /nfs/dbraw/zinc/39/65/74/306396574.db2.gz DMQJPDLJHFEGHD-HYVNUMGLSA-N 2 1 332.448 1.076 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@H]2C1 ZINC000566015006 306396575 /nfs/dbraw/zinc/39/65/75/306396575.db2.gz DMQJPDLJHFEGHD-HYVNUMGLSA-N 2 1 332.448 1.076 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1 ZINC000566096300 306399047 /nfs/dbraw/zinc/39/90/47/306399047.db2.gz HHNAHJQDOWMSAD-WBMJQRKESA-N 2 1 326.400 1.979 20 0 EDADMP COCC[N@@H+](CCc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414693562 304128601 /nfs/dbraw/zinc/12/86/01/304128601.db2.gz CFSACCLLTTZHME-SFHVURJKSA-N 2 1 333.476 1.375 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000414699600 304129220 /nfs/dbraw/zinc/12/92/20/304129220.db2.gz JEMYZJODGKUDRX-AWEZNQCLSA-N 2 1 332.448 1.193 20 0 EDADMP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414702416 304129982 /nfs/dbraw/zinc/12/99/82/304129982.db2.gz WXUZLFIWKKPHQI-OWCLPIDISA-N 2 1 339.480 1.108 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414707556 304130731 /nfs/dbraw/zinc/13/07/31/304130731.db2.gz PUMMRTQLGWZUDW-ZDUSSCGKSA-N 2 1 330.432 1.219 20 0 EDADMP COc1cc(NC(=O)C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc(OC)c1 ZINC000414760115 304137759 /nfs/dbraw/zinc/13/77/59/304137759.db2.gz XVIXJMHEJGWXPG-KGLIPLIRSA-N 2 1 335.448 1.962 20 0 EDADMP COc1ccc2c(c1)OCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000414759186 304138008 /nfs/dbraw/zinc/13/80/08/304138008.db2.gz DIAPBERQBMVORC-AWEZNQCLSA-N 2 1 333.432 1.087 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)c1 ZINC000414794541 304141205 /nfs/dbraw/zinc/14/12/05/304141205.db2.gz FXIQXHMEBDJVQA-UHFFFAOYSA-N 2 1 332.448 1.287 20 0 EDADMP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000249282609 284206537 /nfs/dbraw/zinc/20/65/37/284206537.db2.gz NCQYEDJLJOYAJY-KURKYZTESA-N 2 1 337.508 1.676 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000415107137 304160538 /nfs/dbraw/zinc/16/05/38/304160538.db2.gz KJIIURNPDYNPMJ-IBGZPJMESA-N 3 1 346.519 1.768 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000415107137 304160539 /nfs/dbraw/zinc/16/05/39/304160539.db2.gz KJIIURNPDYNPMJ-IBGZPJMESA-N 3 1 346.519 1.768 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000415145176 304164837 /nfs/dbraw/zinc/16/48/37/304164837.db2.gz VWZVVWHHOOPHTF-UKRRQHHQSA-N 2 1 330.432 1.040 20 0 EDADMP CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000236793864 139031696 /nfs/dbraw/zinc/03/16/96/139031696.db2.gz OQEMVYXARSZLCN-IBGZPJMESA-N 2 1 346.519 1.828 20 0 EDADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000110649062 220051423 /nfs/dbraw/zinc/05/14/23/220051423.db2.gz SEDQHPALRHMAAV-JTQLQIEISA-N 2 1 341.253 1.842 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000415172769 304170695 /nfs/dbraw/zinc/17/06/95/304170695.db2.gz PECVMZOPZLYULF-QGZVFWFLSA-N 2 1 346.475 1.533 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000415172769 304170698 /nfs/dbraw/zinc/17/06/98/304170698.db2.gz PECVMZOPZLYULF-QGZVFWFLSA-N 2 1 346.475 1.533 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC[N@@H+]1C ZINC000415173377 304170893 /nfs/dbraw/zinc/17/08/93/304170893.db2.gz QAEDAPCLMHXDTH-BBRMVZONSA-N 2 1 332.448 1.443 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC[N@H+]1C ZINC000415173377 304170894 /nfs/dbraw/zinc/17/08/94/304170894.db2.gz QAEDAPCLMHXDTH-BBRMVZONSA-N 2 1 332.448 1.443 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000415189591 304172848 /nfs/dbraw/zinc/17/28/48/304172848.db2.gz WNXKJXHAZSNGNN-UONOGXRCSA-N 2 1 332.448 1.286 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000415189591 304172849 /nfs/dbraw/zinc/17/28/49/304172849.db2.gz WNXKJXHAZSNGNN-UONOGXRCSA-N 2 1 332.448 1.286 20 0 EDADMP C[C@](C[NH3+])(NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000237597819 139055225 /nfs/dbraw/zinc/05/52/25/139055225.db2.gz HVOTVQVLLIUDBP-IEBWSBKVSA-N 2 1 331.460 1.521 20 0 EDADMP C[C@](C[NH3+])(NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000237597819 139055226 /nfs/dbraw/zinc/05/52/26/139055226.db2.gz HVOTVQVLLIUDBP-IEBWSBKVSA-N 2 1 331.460 1.521 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)cc1F ZINC000237642350 139056696 /nfs/dbraw/zinc/05/66/96/139056696.db2.gz VBERFSLOBGEEOE-HNNXBMFYSA-N 2 1 346.406 1.705 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000237602692 139055477 /nfs/dbraw/zinc/05/54/77/139055477.db2.gz ZZIMEWQCEXFNAT-IYBDPMFKSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CSC[NH2+]3)CC2)cc1 ZINC000237723086 139058647 /nfs/dbraw/zinc/05/86/47/139058647.db2.gz YBRASPHHEAFHTH-QGZVFWFLSA-N 2 1 333.501 1.986 20 0 EDADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1)C1CC1 ZINC000415272839 304182668 /nfs/dbraw/zinc/18/26/68/304182668.db2.gz QTQAZJGLGLUXKW-HNNXBMFYSA-N 2 1 344.459 1.212 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCCC[NH3+])cc2)C1 ZINC000415298692 304188511 /nfs/dbraw/zinc/18/85/11/304188511.db2.gz XLPNOAHEJUYHAA-CQSZACIVSA-N 2 1 332.448 1.322 20 0 EDADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000246583508 139113962 /nfs/dbraw/zinc/11/39/62/139113962.db2.gz ICQAITIRYMIYFN-KSZLIROESA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246583508 139113963 /nfs/dbraw/zinc/11/39/63/139113963.db2.gz ICQAITIRYMIYFN-KSZLIROESA-N 2 1 337.508 1.820 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@@H](O)CC(F)(F)F)CC2)nc(C)[nH+]1 ZINC000568078083 306471710 /nfs/dbraw/zinc/47/17/10/306471710.db2.gz FMHZRXUVJYSZPK-ZDUSSCGKSA-N 2 1 332.370 1.965 20 0 EDADMP COc1cccc([C@@H](CNC(=O)CC(F)(F)C[NH3+])[NH+]2CCCC2)c1 ZINC000568149689 306473305 /nfs/dbraw/zinc/47/33/05/306473305.db2.gz WSKSQPLKAZGUKT-OAHLLOKOSA-N 2 1 341.402 1.932 20 0 EDADMP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415374910 304207753 /nfs/dbraw/zinc/20/77/53/304207753.db2.gz ZYHGGVNNWFIDAN-OAHLLOKOSA-N 2 1 346.475 1.583 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000339948102 284670133 /nfs/dbraw/zinc/67/01/33/284670133.db2.gz WGQNKXUORVAFHR-IAGOWNOFSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@H](C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1)[C@@H]([NH3+])c1ccccc1 ZINC000248473108 139165621 /nfs/dbraw/zinc/16/56/21/139165621.db2.gz WPNSGHVRVZHMHX-RRQGHBQHSA-N 2 1 327.432 1.229 20 0 EDADMP CC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCCO1 ZINC000248593564 139168424 /nfs/dbraw/zinc/16/84/24/139168424.db2.gz LSEUQNCYGGQVTN-ULQDDVLXSA-N 2 1 341.496 1.007 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000091711693 218052873 /nfs/dbraw/zinc/05/28/73/218052873.db2.gz RWEBVZPJSUDIQS-QXSJWSMHSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000091711693 218052874 /nfs/dbraw/zinc/05/28/74/218052874.db2.gz RWEBVZPJSUDIQS-QXSJWSMHSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1C[C@@H](O)C[C@H](C)[NH+]1CC1(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)COC1 ZINC000248820441 139176198 /nfs/dbraw/zinc/17/61/98/139176198.db2.gz IUYHAWXRRMDOAV-TYTBLDAYSA-N 2 1 340.508 1.470 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000112215764 220263896 /nfs/dbraw/zinc/26/38/96/220263896.db2.gz HSKPWYLWRXCFLZ-CVEARBPZSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c2C1 ZINC000415418114 304219168 /nfs/dbraw/zinc/21/91/68/304219168.db2.gz NZLGMUJNLGEDHB-KBPBESRZSA-N 2 1 346.475 1.791 20 0 EDADMP Cc1nn(C)c2ncc(CN3CCC([N@@H+]4CCO[C@H](C)C4)CC3)cc12 ZINC000261382803 139208337 /nfs/dbraw/zinc/20/83/37/139208337.db2.gz IKAKPNIBIUUYRQ-CQSZACIVSA-N 2 1 343.475 1.962 20 0 EDADMP Cc1nn(C)c2ncc(C[NH+]3CCC(N4CCO[C@H](C)C4)CC3)cc12 ZINC000261382803 139208338 /nfs/dbraw/zinc/20/83/38/139208338.db2.gz IKAKPNIBIUUYRQ-CQSZACIVSA-N 2 1 343.475 1.962 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000261608821 139210557 /nfs/dbraw/zinc/21/05/57/139210557.db2.gz DGTMGEQKYWHVFW-HNNXBMFYSA-N 2 1 328.416 1.629 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000261637943 139213309 /nfs/dbraw/zinc/21/33/09/139213309.db2.gz DPNYUYBDHIXJHY-GJZGRUSLSA-N 2 1 336.505 1.840 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000261687340 139217551 /nfs/dbraw/zinc/21/75/51/139217551.db2.gz IQSXVSFCXPFABV-CYBMUJFWSA-N 2 1 329.366 1.992 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000261764775 139224070 /nfs/dbraw/zinc/22/40/70/139224070.db2.gz QERRLAJWDCXWEJ-LLVKDONJSA-N 2 1 335.433 1.085 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000261764775 139224071 /nfs/dbraw/zinc/22/40/71/139224071.db2.gz QERRLAJWDCXWEJ-LLVKDONJSA-N 2 1 335.433 1.085 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261769363 139224336 /nfs/dbraw/zinc/22/43/36/139224336.db2.gz IRKYDFCYSMDHMH-DLBZAZTESA-N 2 1 345.491 1.098 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261843474 139230744 /nfs/dbraw/zinc/23/07/44/139230744.db2.gz IWZQJJHSSMNOBI-XJKSGUPXSA-N 2 1 336.867 1.815 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccncc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261843474 139230745 /nfs/dbraw/zinc/23/07/45/139230745.db2.gz IWZQJJHSSMNOBI-XJKSGUPXSA-N 2 1 336.867 1.815 20 0 EDADMP c1cc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)ccn1 ZINC000261899333 139235119 /nfs/dbraw/zinc/23/51/19/139235119.db2.gz HLJSZEKKPDINMW-ZCNNSNEGSA-N 2 1 344.503 1.793 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000569199372 306499053 /nfs/dbraw/zinc/49/90/53/306499053.db2.gz WCXMIQXQEXUKRO-INIZCTEOSA-N 2 1 333.480 1.058 20 0 EDADMP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262044844 139246230 /nfs/dbraw/zinc/24/62/30/139246230.db2.gz YYUSSUMHCPFQFT-VAMGGRTRSA-N 3 1 347.503 1.874 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414909784 250885850 /nfs/dbraw/zinc/88/58/50/250885850.db2.gz CKRLNQOORZAVHO-KRWDZBQOSA-N 2 1 344.459 1.214 20 0 EDADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262136866 139254047 /nfs/dbraw/zinc/25/40/47/139254047.db2.gz OWEJLFWPVAMTOU-LJQANCHMSA-N 2 1 325.460 1.411 20 0 EDADMP C[C@H](CNC(=O)C1([NH3+])CCCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000262135562 139253998 /nfs/dbraw/zinc/25/39/98/139253998.db2.gz IXHRCPKGAAFQKQ-QGZVFWFLSA-N 2 1 344.503 1.975 20 0 EDADMP C[C@@H](NC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[C@H](C)[NH3+] ZINC000415776829 251025185 /nfs/dbraw/zinc/02/51/85/251025185.db2.gz BYBTYBIVDLVVKO-QWHCGFSZSA-N 2 1 332.448 1.114 20 0 EDADMP COc1ccc([C@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)c(OC)c1 ZINC000262202258 139259556 /nfs/dbraw/zinc/25/95/56/139259556.db2.gz SKRGAFAZKRJGLZ-QGZVFWFLSA-N 2 1 347.459 1.663 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](CCOc2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000262298384 139267839 /nfs/dbraw/zinc/26/78/39/139267839.db2.gz WZAVURFDPYURML-RDJZCZTQSA-N 2 1 349.450 1.785 20 0 EDADMP CC[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000417004533 251126712 /nfs/dbraw/zinc/12/67/12/251126712.db2.gz CNPDEYIMPJFVMY-QGTPRVQTSA-N 2 1 330.476 1.954 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000417497006 251180986 /nfs/dbraw/zinc/18/09/86/251180986.db2.gz CJUFWPNOPYFGSP-RTBURBONSA-N 2 1 344.503 1.944 20 0 EDADMP COCC1(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000262413156 139277392 /nfs/dbraw/zinc/27/73/92/139277392.db2.gz SXCSLZDKADRADZ-INIZCTEOSA-N 2 1 333.476 1.639 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417736568 251249050 /nfs/dbraw/zinc/24/90/50/251249050.db2.gz UXWMWSPOKIRMPV-IRXDYDNUSA-N 2 1 345.491 1.187 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC1([NH3+])CCC1 ZINC000417740094 251250305 /nfs/dbraw/zinc/25/03/05/251250305.db2.gz YXHUDTGDJRWMSH-MRXNPFEDSA-N 2 1 345.491 1.378 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCCC[NH3+] ZINC000417738120 251250933 /nfs/dbraw/zinc/25/09/33/251250933.db2.gz XBAIGGOESMBQEA-MRXNPFEDSA-N 2 1 333.480 1.235 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417990928 251319546 /nfs/dbraw/zinc/31/95/46/251319546.db2.gz JYOLLZOVIUFVSZ-LSDHHAIUSA-N 2 1 326.391 1.747 20 0 EDADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417990928 251319550 /nfs/dbraw/zinc/31/95/50/251319550.db2.gz JYOLLZOVIUFVSZ-LSDHHAIUSA-N 2 1 326.391 1.747 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000418476388 251373674 /nfs/dbraw/zinc/37/36/74/251373674.db2.gz TZJAQTZTFBKGGQ-KRWDZBQOSA-N 2 1 340.512 1.504 20 0 EDADMP Cc1cc(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000418196508 251355301 /nfs/dbraw/zinc/35/53/01/251355301.db2.gz HSKPJOGRMHNGFG-CJNGLKHVSA-N 2 1 331.464 1.787 20 0 EDADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000418526837 251375765 /nfs/dbraw/zinc/37/57/65/251375765.db2.gz OREAUBDVJCHPKU-QGZVFWFLSA-N 2 1 345.491 1.959 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)C[C@@H]1CC ZINC000418584097 251378651 /nfs/dbraw/zinc/37/86/51/251378651.db2.gz XGSZSPKAEKZRBW-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418787889 251435784 /nfs/dbraw/zinc/43/57/84/251435784.db2.gz KJZOAKVPHFECBM-AEFFLSMTSA-N 2 1 330.476 1.950 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)c2csc(C[NH3+])n2)[C@H](C)C1 ZINC000262669814 139294950 /nfs/dbraw/zinc/29/49/50/139294950.db2.gz MVJNNMOPBZVSIA-OLZOCXBDSA-N 2 1 340.493 1.469 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)c2csc(C[NH3+])n2)[C@H](C)C1 ZINC000262669814 139294951 /nfs/dbraw/zinc/29/49/51/139294951.db2.gz MVJNNMOPBZVSIA-OLZOCXBDSA-N 2 1 340.493 1.469 20 0 EDADMP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420331615 251677526 /nfs/dbraw/zinc/67/75/26/251677526.db2.gz RAULGZJDUAUDLC-RTBURBONSA-N 2 1 345.487 1.771 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000262885627 139310519 /nfs/dbraw/zinc/31/05/19/139310519.db2.gz WKHBVRZQWDQFRP-GOSISDBHSA-N 2 1 346.519 1.828 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422886490 252012202 /nfs/dbraw/zinc/01/22/02/252012202.db2.gz JERQUVWZTXTMOD-MPGHIAIKSA-N 3 1 332.492 1.599 20 0 EDADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c2ccccc21 ZINC000422893797 252015431 /nfs/dbraw/zinc/01/54/31/252015431.db2.gz ASKVTGJVATZINJ-JCURWCKSSA-N 2 1 342.395 1.889 20 0 EDADMP CC[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423348350 252048922 /nfs/dbraw/zinc/04/89/22/252048922.db2.gz TVHBMOWYNCZNSA-FZMZJTMJSA-N 2 1 345.896 1.898 20 0 EDADMP O=C(COC1CC[NH2+]CC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000423352830 252050447 /nfs/dbraw/zinc/05/04/47/252050447.db2.gz CAPNZVJFMTZUFT-GOSISDBHSA-N 2 1 345.487 1.436 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423514813 252058657 /nfs/dbraw/zinc/05/86/57/252058657.db2.gz WQUQYXWYNBCPLG-IRXDYDNUSA-N 2 1 337.489 1.819 20 0 EDADMP C[C@H](CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000423803248 252082664 /nfs/dbraw/zinc/08/26/64/252082664.db2.gz WGSCCLOJQMZDIL-MRXNPFEDSA-N 2 1 339.524 1.829 20 0 EDADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCCCS(C)(=O)=O)sc2C1 ZINC000424176459 252154356 /nfs/dbraw/zinc/15/43/56/252154356.db2.gz XVMQVDVKMRCPTJ-UHFFFAOYSA-N 2 1 345.534 1.824 20 0 EDADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCCCS(C)(=O)=O)sc2C1 ZINC000424176459 252154358 /nfs/dbraw/zinc/15/43/58/252154358.db2.gz XVMQVDVKMRCPTJ-UHFFFAOYSA-N 2 1 345.534 1.824 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000262940105 139314082 /nfs/dbraw/zinc/31/40/82/139314082.db2.gz UKADVRMNMZQHNT-YJBOKZPZSA-N 2 1 333.476 1.899 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424285210 252190662 /nfs/dbraw/zinc/19/06/62/252190662.db2.gz FOVBCVOPLBXJTG-HNNXBMFYSA-N 2 1 331.460 1.775 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000181050910 532952270 /nfs/dbraw/zinc/95/22/70/532952270.db2.gz RVXJWIVKWUTZHU-KRWDZBQOSA-N 2 1 348.491 1.481 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000181050910 532952275 /nfs/dbraw/zinc/95/22/75/532952275.db2.gz RVXJWIVKWUTZHU-KRWDZBQOSA-N 2 1 348.491 1.481 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000424467191 252239625 /nfs/dbraw/zinc/23/96/25/252239625.db2.gz MPWNMJHDKIYKEB-CZUORRHYSA-N 2 1 332.448 1.191 20 0 EDADMP O=C(NC[C@H]1CC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424479838 252248240 /nfs/dbraw/zinc/24/82/40/252248240.db2.gz OXWJNJVTWCVJBF-OKZBNKHCSA-N 2 1 328.460 1.512 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2CCO)CC1 ZINC000426213984 252324834 /nfs/dbraw/zinc/32/48/34/252324834.db2.gz DNKQCOCOLFJCLZ-IBGZPJMESA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2CCO)CC1 ZINC000426213984 252324838 /nfs/dbraw/zinc/32/48/38/252324838.db2.gz DNKQCOCOLFJCLZ-IBGZPJMESA-N 2 1 345.487 1.486 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000263241562 139330541 /nfs/dbraw/zinc/33/05/41/139330541.db2.gz GLHLKOHPTVJEAR-KSZLIROESA-N 2 1 336.524 1.297 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000263328097 139336148 /nfs/dbraw/zinc/33/61/48/139336148.db2.gz LEBJAQHYWOBIDD-KRWDZBQOSA-N 2 1 346.475 1.183 20 0 EDADMP C[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)N1CC[NH+](C)CC1 ZINC000112512698 220342004 /nfs/dbraw/zinc/34/20/04/220342004.db2.gz OUOGSQMHKODVMU-MRXNPFEDSA-N 2 1 348.491 1.592 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C(F)(F)F ZINC000344637542 285244253 /nfs/dbraw/zinc/24/42/53/285244253.db2.gz YTXVOOCXWUVWQA-QWHCGFSZSA-N 2 1 338.418 1.995 20 0 EDADMP CN1CC[NH+](CC2(C)CC[NH+](CN3CC(C)(C)OC3=O)CC2)CC1 ZINC000495269151 255276965 /nfs/dbraw/zinc/27/69/65/255276965.db2.gz BZHIYUBOZHCABR-UHFFFAOYSA-N 2 1 338.496 1.524 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)n(C)c2=O)[C@@H](C)C1 ZINC000494485302 255252368 /nfs/dbraw/zinc/25/23/68/255252368.db2.gz LUWDTSXGIPQPQT-MAUKXSAKSA-N 2 1 335.492 1.920 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[NH+]1CCCCC1 ZINC000494842500 255263007 /nfs/dbraw/zinc/26/30/07/255263007.db2.gz PTRHMHXRLWUVDN-SFHVURJKSA-N 2 1 340.556 1.839 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)[NH+]1CCCCC1 ZINC000494842500 255263008 /nfs/dbraw/zinc/26/30/08/255263008.db2.gz PTRHMHXRLWUVDN-SFHVURJKSA-N 2 1 340.556 1.839 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)C1 ZINC000119238537 221274601 /nfs/dbraw/zinc/27/46/01/221274601.db2.gz CZEXFJJYHZPLSJ-BSDSXHPESA-N 2 1 339.524 1.874 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COCc1cccs1 ZINC000119290741 221287272 /nfs/dbraw/zinc/28/72/72/221287272.db2.gz VHDOBRGGYQAQFV-MRXNPFEDSA-N 2 1 341.521 1.195 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N(C)c2ccccc2)CC1 ZINC000264293533 139394276 /nfs/dbraw/zinc/39/42/76/139394276.db2.gz OUOIGGZGXPIHKT-INIZCTEOSA-N 2 1 333.476 1.674 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000270361828 140085772 /nfs/dbraw/zinc/08/57/72/140085772.db2.gz RPZIJMNLLCUVNN-SJORKVTESA-N 2 1 327.432 1.936 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000270361828 140085775 /nfs/dbraw/zinc/08/57/75/140085775.db2.gz RPZIJMNLLCUVNN-SJORKVTESA-N 2 1 327.432 1.936 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1 ZINC000271768011 140346975 /nfs/dbraw/zinc/34/69/75/140346975.db2.gz CEPZASOPKGDHDI-INIZCTEOSA-N 2 1 336.480 1.384 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000271768011 140346977 /nfs/dbraw/zinc/34/69/77/140346977.db2.gz CEPZASOPKGDHDI-INIZCTEOSA-N 2 1 336.480 1.384 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000271768011 140346979 /nfs/dbraw/zinc/34/69/79/140346979.db2.gz CEPZASOPKGDHDI-INIZCTEOSA-N 2 1 336.480 1.384 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000331342845 141009612 /nfs/dbraw/zinc/00/96/12/141009612.db2.gz KUNLHATZUQUHIE-QWHCGFSZSA-N 2 1 345.896 1.950 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000333208219 141281052 /nfs/dbraw/zinc/28/10/52/141281052.db2.gz SQXGREOGOHWXHB-ALOPSCKCSA-N 2 1 343.475 1.847 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000333208219 141281053 /nfs/dbraw/zinc/28/10/53/141281053.db2.gz SQXGREOGOHWXHB-ALOPSCKCSA-N 2 1 343.475 1.847 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000333260052 141289077 /nfs/dbraw/zinc/28/90/77/141289077.db2.gz ISGYSONTLDAWQJ-IXDOHACOSA-N 2 1 331.464 1.506 20 0 EDADMP Cc1cc(NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cn2cc[nH+]c12 ZINC000333317641 141298170 /nfs/dbraw/zinc/29/81/70/141298170.db2.gz MNHWKNATNBRHKJ-OAHLLOKOSA-N 2 1 328.420 1.154 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333481111 141324418 /nfs/dbraw/zinc/32/44/18/141324418.db2.gz CBXQCJMYNORVAY-HLLBOEOZSA-N 2 1 338.496 1.269 20 0 EDADMP Cc1cc(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cn2cc[nH+]c12 ZINC000333721002 141366046 /nfs/dbraw/zinc/36/60/46/141366046.db2.gz VFOMEHGSWWQZFT-GJZGRUSLSA-N 2 1 329.404 1.580 20 0 EDADMP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000333751796 141373092 /nfs/dbraw/zinc/37/30/92/141373092.db2.gz ZDDZFHNLMFNIRK-GDBMZVCRSA-N 2 1 334.468 1.165 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(CCCN3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC000339395952 142036266 /nfs/dbraw/zinc/03/62/66/142036266.db2.gz VCDNPOAWJBULHT-OALUTQOASA-N 2 1 338.540 1.198 20 0 EDADMP CC[N@@H+]1CC[C@@H]2OCCN(CCC[NH+]3CCN(C(C)C)CC3)[C@H]2C1 ZINC000339395952 142036269 /nfs/dbraw/zinc/03/62/69/142036269.db2.gz VCDNPOAWJBULHT-OALUTQOASA-N 2 1 338.540 1.198 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(CCC[NH+]3CCN(C(C)C)CC3)[C@H]2C1 ZINC000339395952 142036270 /nfs/dbraw/zinc/03/62/70/142036270.db2.gz VCDNPOAWJBULHT-OALUTQOASA-N 2 1 338.540 1.198 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000339610822 142092893 /nfs/dbraw/zinc/09/28/93/142092893.db2.gz HMXJDIXEAUSIHD-JKSUJKDBSA-N 2 1 340.512 1.066 20 0 EDADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H](C)CO ZINC000339623611 142098695 /nfs/dbraw/zinc/09/86/95/142098695.db2.gz GHQPCCUBSFDKPU-QGZVFWFLSA-N 2 1 347.503 1.778 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000339851168 142177429 /nfs/dbraw/zinc/17/74/29/142177429.db2.gz TXMQMFJKKWDHAE-DLBZAZTESA-N 2 1 341.544 1.288 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000339851168 142177431 /nfs/dbraw/zinc/17/74/31/142177431.db2.gz TXMQMFJKKWDHAE-DLBZAZTESA-N 2 1 341.544 1.288 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000339851168 142177433 /nfs/dbraw/zinc/17/74/33/142177433.db2.gz TXMQMFJKKWDHAE-DLBZAZTESA-N 2 1 341.544 1.288 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000345487667 143097192 /nfs/dbraw/zinc/09/71/92/143097192.db2.gz MOJWGKBAGADMOF-QBPKDAKJSA-N 2 1 338.496 1.100 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1C[C@@H](C)O ZINC000345487667 143097193 /nfs/dbraw/zinc/09/71/93/143097193.db2.gz MOJWGKBAGADMOF-QBPKDAKJSA-N 2 1 338.496 1.100 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1C[C@@H](C)O ZINC000345487667 143097194 /nfs/dbraw/zinc/09/71/94/143097194.db2.gz MOJWGKBAGADMOF-QBPKDAKJSA-N 2 1 338.496 1.100 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000346278050 143186158 /nfs/dbraw/zinc/18/61/58/143186158.db2.gz PJMIXIXWKXUJKR-HOTGVXAUSA-N 2 1 339.528 1.137 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)C[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000346619259 143222585 /nfs/dbraw/zinc/22/25/85/143222585.db2.gz KRRYUQYLABCTOX-GVDBMIGSSA-N 2 1 340.512 1.469 20 0 EDADMP CCc1ncc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000346667889 143228859 /nfs/dbraw/zinc/22/88/59/143228859.db2.gz FIWRRZGGCXLOBN-ZFWWWQNUSA-N 2 1 336.505 1.786 20 0 EDADMP CNC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1c1cnn(C)c1 ZINC000346876845 143254867 /nfs/dbraw/zinc/25/48/67/143254867.db2.gz MLGKUFJBOOYWMS-YESZJQIVSA-N 2 1 333.480 1.056 20 0 EDADMP CNC(=O)[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1cnn(C)c1 ZINC000346876845 143254868 /nfs/dbraw/zinc/25/48/68/143254868.db2.gz MLGKUFJBOOYWMS-YESZJQIVSA-N 2 1 333.480 1.056 20 0 EDADMP CNC(=O)[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC000346876845 143254869 /nfs/dbraw/zinc/25/48/69/143254869.db2.gz MLGKUFJBOOYWMS-YESZJQIVSA-N 2 1 333.480 1.056 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000346986798 143268758 /nfs/dbraw/zinc/26/87/58/143268758.db2.gz LMWWCWHZSDGXGG-QGZVFWFLSA-N 2 1 334.464 1.268 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000347040466 143275323 /nfs/dbraw/zinc/27/53/23/143275323.db2.gz KMHMCJZTGCPTAP-MRXNPFEDSA-N 2 1 327.432 1.159 20 0 EDADMP O=C(NC[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000347836389 143368816 /nfs/dbraw/zinc/36/88/16/143368816.db2.gz SRDSVNLZGDNSFO-ZBFHGGJFSA-N 2 1 332.448 1.205 20 0 EDADMP O=C(NC[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000347836389 143368817 /nfs/dbraw/zinc/36/88/17/143368817.db2.gz SRDSVNLZGDNSFO-ZBFHGGJFSA-N 2 1 332.448 1.205 20 0 EDADMP CC[NH+]1CCC(NC(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000348005799 143390409 /nfs/dbraw/zinc/39/04/09/143390409.db2.gz HFCIPKYFVZJVQZ-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2[nH+]c(C)n3c2CCCC3)C1 ZINC000369739221 155156085 /nfs/dbraw/zinc/15/60/85/155156085.db2.gz OFFHADDEMLUBDG-CQSZACIVSA-N 2 1 335.452 1.048 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCc2[nH+]c(C)n3c2CCCC3)C1 ZINC000369739221 155156086 /nfs/dbraw/zinc/15/60/86/155156086.db2.gz OFFHADDEMLUBDG-CQSZACIVSA-N 2 1 335.452 1.048 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@@H](C)C1 ZINC000236866179 286061113 /nfs/dbraw/zinc/06/11/13/286061113.db2.gz KIYVPTSXDXEIHH-ULQDDVLXSA-N 2 1 337.508 1.629 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N(CC)CC)[C@H](C)C1 ZINC000358104757 286064358 /nfs/dbraw/zinc/06/43/58/286064358.db2.gz YQJYIOGRWMJXCO-ZACQAIPSSA-N 2 1 327.513 1.970 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N(CC)CC)[C@H](C)C1 ZINC000358104757 286064359 /nfs/dbraw/zinc/06/43/59/286064359.db2.gz YQJYIOGRWMJXCO-ZACQAIPSSA-N 2 1 327.513 1.970 20 0 EDADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000352674562 149111421 /nfs/dbraw/zinc/11/14/21/149111421.db2.gz BYZFXSYWSRKZCM-HNNXBMFYSA-N 2 1 342.553 1.845 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000352674562 149111424 /nfs/dbraw/zinc/11/14/24/149111424.db2.gz BYZFXSYWSRKZCM-HNNXBMFYSA-N 2 1 342.553 1.845 20 0 EDADMP C[C@@H]1CCC[C@@](CNC(=O)NCC[NH+]2CCSCC2)([NH+](C)C)C1 ZINC000352675648 149112748 /nfs/dbraw/zinc/11/27/48/149112748.db2.gz KTSCZKWABBDNDB-NVXWUHKLSA-N 2 1 342.553 1.845 20 0 EDADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCSCC1 ZINC000352681407 149115444 /nfs/dbraw/zinc/11/54/44/149115444.db2.gz YNJRKWMMAOIWAT-HUUCEWRRSA-N 2 1 328.526 1.455 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCSCC1 ZINC000352681407 149115446 /nfs/dbraw/zinc/11/54/46/149115446.db2.gz YNJRKWMMAOIWAT-HUUCEWRRSA-N 2 1 328.526 1.455 20 0 EDADMP C[C@H]1C[C@H](C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000352724468 149129471 /nfs/dbraw/zinc/12/94/71/149129471.db2.gz QVVWKRGGMRCPHG-FUHWJXTLSA-N 2 1 337.508 1.678 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000416965216 304356531 /nfs/dbraw/zinc/35/65/31/304356531.db2.gz DATFMVRDMZXTEW-GOSISDBHSA-N 2 1 348.491 1.786 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCN3Cc3ccccc3)[C@@H]2C1 ZINC000355352845 150229319 /nfs/dbraw/zinc/22/93/19/150229319.db2.gz WASKTDBUYPBKQH-OTWHNJEPSA-N 2 1 343.471 1.583 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000416986216 304361919 /nfs/dbraw/zinc/36/19/19/304361919.db2.gz IYHAGGPITSEFKT-INIZCTEOSA-N 2 1 347.507 1.313 20 0 EDADMP CN(C(=O)[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000355507700 150297096 /nfs/dbraw/zinc/29/70/96/150297096.db2.gz JJAYBJBGOLZQIN-RBUKOAKNSA-N 2 1 343.471 1.583 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000355507700 150297102 /nfs/dbraw/zinc/29/71/02/150297102.db2.gz JJAYBJBGOLZQIN-RBUKOAKNSA-N 2 1 343.471 1.583 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH+](C2CC2)C1 ZINC000355507700 150297104 /nfs/dbraw/zinc/29/71/04/150297104.db2.gz JJAYBJBGOLZQIN-RBUKOAKNSA-N 2 1 343.471 1.583 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH+](C2CC2)C1 ZINC000355507700 150297107 /nfs/dbraw/zinc/29/71/07/150297107.db2.gz JJAYBJBGOLZQIN-RBUKOAKNSA-N 2 1 343.471 1.583 20 0 EDADMP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000417034201 304363736 /nfs/dbraw/zinc/36/37/36/304363736.db2.gz DUSSYIPDWGGHTI-PBHICJAKSA-N 2 1 349.454 1.079 20 0 EDADMP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000370018535 155281999 /nfs/dbraw/zinc/28/19/99/155281999.db2.gz NMZPSUFYOXVUPC-ROUUACIJSA-N 2 1 336.524 1.251 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000370018535 155282000 /nfs/dbraw/zinc/28/20/00/155282000.db2.gz NMZPSUFYOXVUPC-ROUUACIJSA-N 2 1 336.524 1.251 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000370018535 155282004 /nfs/dbraw/zinc/28/20/04/155282004.db2.gz NMZPSUFYOXVUPC-ROUUACIJSA-N 2 1 336.524 1.251 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417044672 304366024 /nfs/dbraw/zinc/36/60/24/304366024.db2.gz NIJFGWICQILFGV-KBPBESRZSA-N 2 1 332.439 1.937 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000358008683 151232524 /nfs/dbraw/zinc/23/25/24/151232524.db2.gz WKSCQMXJYHSMNH-JKSUJKDBSA-N 2 1 328.501 1.374 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000358008683 151232526 /nfs/dbraw/zinc/23/25/26/151232526.db2.gz WKSCQMXJYHSMNH-JKSUJKDBSA-N 2 1 328.501 1.374 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000417093671 304371943 /nfs/dbraw/zinc/37/19/43/304371943.db2.gz BVFPDCHDJNMKRB-IIAWOOMASA-N 2 1 348.516 1.746 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000417093671 304371944 /nfs/dbraw/zinc/37/19/44/304371944.db2.gz BVFPDCHDJNMKRB-IIAWOOMASA-N 2 1 348.516 1.746 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000417093673 304372038 /nfs/dbraw/zinc/37/20/38/304372038.db2.gz BVFPDCHDJNMKRB-IJEWVQPXSA-N 2 1 348.516 1.746 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000417093673 304372039 /nfs/dbraw/zinc/37/20/39/304372039.db2.gz BVFPDCHDJNMKRB-IJEWVQPXSA-N 2 1 348.516 1.746 20 0 EDADMP COC[C@H](C)[C@@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000360396475 152020719 /nfs/dbraw/zinc/02/07/19/152020719.db2.gz RMXOASYDRHVZBO-IIQAOJFUSA-N 2 1 337.508 1.674 20 0 EDADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2csc(C[NH3+])n2)cc1 ZINC000360617703 152124985 /nfs/dbraw/zinc/12/49/85/152124985.db2.gz ICXYMSWDFAOFTR-UONOGXRCSA-N 2 1 346.456 1.486 20 0 EDADMP CSC1(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC[NH+](C)CC1 ZINC000360699687 152159583 /nfs/dbraw/zinc/15/95/83/152159583.db2.gz ZCXLFYWXWDPDAJ-HNNXBMFYSA-N 2 1 340.537 1.692 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000360955527 152262926 /nfs/dbraw/zinc/26/29/26/152262926.db2.gz JBCRUYDOMNJKBA-DZKIICNBSA-N 2 1 338.496 1.853 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@@H](C)C1 ZINC000361174800 152326608 /nfs/dbraw/zinc/32/66/08/152326608.db2.gz GDIDMVGFOLQLML-HKUYNNGSSA-N 3 1 341.540 1.417 20 0 EDADMP CCOCCCN1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@@H](C)C1 ZINC000361174800 152326609 /nfs/dbraw/zinc/32/66/09/152326609.db2.gz GDIDMVGFOLQLML-HKUYNNGSSA-N 2 1 341.540 1.417 20 0 EDADMP c1ccc(C[NH+]2C[C@@H]3CN(CC[N@H+]4CCCOCC4)C[C@H]3C2)cc1 ZINC000361397925 152382061 /nfs/dbraw/zinc/38/20/61/152382061.db2.gz ZHCDOBNMJSQQAB-PMACEKPBSA-N 2 1 329.488 1.773 20 0 EDADMP [NH3+]C[C@@H]1CCCCN1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417181361 304381387 /nfs/dbraw/zinc/38/13/87/304381387.db2.gz OPNGCRGFYDSLGG-SFHVURJKSA-N 2 1 346.475 1.542 20 0 EDADMP CC[N@@H+](CC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C1CC1 ZINC000363867267 153079685 /nfs/dbraw/zinc/07/96/85/153079685.db2.gz POYIWPMSWKFCNV-UHFFFAOYSA-N 2 1 336.524 1.347 20 0 EDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000417192820 304382717 /nfs/dbraw/zinc/38/27/17/304382717.db2.gz ZIFOXOONXKVGBI-QAPCUYQASA-N 2 1 346.475 1.445 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c2ccccc2)CC1 ZINC000364565463 153272485 /nfs/dbraw/zinc/27/24/85/153272485.db2.gz VTMUNOOHMVNBPJ-FCGDIQPGSA-N 2 1 342.487 1.456 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@H]1CCc2[nH+]ccn2C1)C[NH+]1CCCC1 ZINC000364705770 153310000 /nfs/dbraw/zinc/31/00/00/153310000.db2.gz LWXNJHKCLLDNNJ-JKSUJKDBSA-N 2 1 333.480 1.819 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000364724053 153314237 /nfs/dbraw/zinc/31/42/37/153314237.db2.gz MTMDBUYVSHCVJQ-YKTARERQSA-N 2 1 337.508 1.900 20 0 EDADMP CC1(CNC(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH2+]CC1 ZINC000417216374 304385219 /nfs/dbraw/zinc/38/52/19/304385219.db2.gz BIRDSVPHNQUSGF-UHFFFAOYSA-N 2 1 336.505 1.795 20 0 EDADMP CC1(CNC(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH2+]CC1 ZINC000417216374 304385221 /nfs/dbraw/zinc/38/52/21/304385221.db2.gz BIRDSVPHNQUSGF-UHFFFAOYSA-N 2 1 336.505 1.795 20 0 EDADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000417218407 304385641 /nfs/dbraw/zinc/38/56/41/304385641.db2.gz GPMJZWMYYXQRSH-TZMCWYRMSA-N 2 1 326.391 1.715 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000417218407 304385642 /nfs/dbraw/zinc/38/56/42/304385642.db2.gz GPMJZWMYYXQRSH-TZMCWYRMSA-N 2 1 326.391 1.715 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000417232848 304386360 /nfs/dbraw/zinc/38/63/60/304386360.db2.gz QRAFHDYJJPOGEH-KSZLIROESA-N 2 1 330.476 1.887 20 0 EDADMP COC(=O)c1oc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1C ZINC000367107838 154010360 /nfs/dbraw/zinc/01/03/60/154010360.db2.gz BGQYQJVYOVBGHN-INIZCTEOSA-N 2 1 349.475 1.834 20 0 EDADMP Cc1ccc([C@H](O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000367296446 154069489 /nfs/dbraw/zinc/06/94/89/154069489.db2.gz QJKDJPCDIBMZGJ-ZWKOTPCHSA-N 2 1 331.460 1.443 20 0 EDADMP CN(C(=O)NCCCC[NH+]1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367574637 154181261 /nfs/dbraw/zinc/18/12/61/154181261.db2.gz IICIEQGHSFZPEY-SJPCQFCGSA-N 2 1 338.496 1.365 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)cc1F ZINC000367752577 154254742 /nfs/dbraw/zinc/25/47/42/154254742.db2.gz XJPGRDQTVOKLLY-LLVKDONJSA-N 2 1 345.378 1.522 20 0 EDADMP Cc1[nH+]c(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c2n1CCCC2 ZINC000367900071 154317813 /nfs/dbraw/zinc/31/78/13/154317813.db2.gz DYVSVPWRHKYAEQ-RHSMWYFYSA-N 2 1 331.464 1.763 20 0 EDADMP Cc1[nH+]c(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c2n1CCCC2 ZINC000367900071 154317814 /nfs/dbraw/zinc/31/78/14/154317814.db2.gz DYVSVPWRHKYAEQ-RHSMWYFYSA-N 2 1 331.464 1.763 20 0 EDADMP CC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000369455423 155042547 /nfs/dbraw/zinc/04/25/47/155042547.db2.gz JSXNGSZBCBFZMA-WBVHZDCISA-N 2 1 333.480 1.543 20 0 EDADMP CC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000369455423 155042554 /nfs/dbraw/zinc/04/25/54/155042554.db2.gz JSXNGSZBCBFZMA-WBVHZDCISA-N 2 1 333.480 1.543 20 0 EDADMP CC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000369455423 155042560 /nfs/dbraw/zinc/04/25/60/155042560.db2.gz JSXNGSZBCBFZMA-WBVHZDCISA-N 2 1 333.480 1.543 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCC[NH+]2CCC[C@@H]2C1 ZINC000369584133 155099869 /nfs/dbraw/zinc/09/98/69/155099869.db2.gz LZMRKRDBKNZVMM-LJQANCHMSA-N 2 1 342.487 1.924 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000369584133 155099873 /nfs/dbraw/zinc/09/98/73/155099873.db2.gz LZMRKRDBKNZVMM-LJQANCHMSA-N 2 1 342.487 1.924 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000369584133 155099874 /nfs/dbraw/zinc/09/98/74/155099874.db2.gz LZMRKRDBKNZVMM-LJQANCHMSA-N 2 1 342.487 1.924 20 0 EDADMP Cc1nccn1CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000372163694 156250278 /nfs/dbraw/zinc/25/02/78/156250278.db2.gz IBOUPTDNSKPNDD-KRWDZBQOSA-N 2 1 334.464 1.683 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000372163694 156250282 /nfs/dbraw/zinc/25/02/82/156250282.db2.gz IBOUPTDNSKPNDD-KRWDZBQOSA-N 2 1 334.464 1.683 20 0 EDADMP CCO[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C12CCOCC2 ZINC000186337908 286538835 /nfs/dbraw/zinc/53/88/35/286538835.db2.gz DPWUDDJGJXOBKK-HOTGVXAUSA-N 2 1 326.481 1.661 20 0 EDADMP C[NH+]1CCC2(CCCN(C(=O)CCCC[NH+]3CCOCC3)C2)CC1 ZINC000374152491 157167989 /nfs/dbraw/zinc/16/79/89/157167989.db2.gz YOOKFEJKPUKEFP-UHFFFAOYSA-N 2 1 337.508 1.823 20 0 EDADMP Cc1noc2ncnc(N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c12 ZINC000374492527 157307038 /nfs/dbraw/zinc/30/70/38/157307038.db2.gz OXPXIMXVCNEFDX-CQSZACIVSA-N 2 1 330.436 1.531 20 0 EDADMP Cc1noc2ncnc(N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c12 ZINC000374492527 157307041 /nfs/dbraw/zinc/30/70/41/157307041.db2.gz OXPXIMXVCNEFDX-CQSZACIVSA-N 2 1 330.436 1.531 20 0 EDADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@](CO)(c3ccccc3)C2)CC1 ZINC000374557951 157327887 /nfs/dbraw/zinc/32/78/87/157327887.db2.gz AVCGWIUXLXOQLZ-FQEVSTJZSA-N 2 1 345.487 1.177 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@](CO)(c3ccccc3)C2)CC1 ZINC000374557951 157327893 /nfs/dbraw/zinc/32/78/93/157327893.db2.gz AVCGWIUXLXOQLZ-FQEVSTJZSA-N 2 1 345.487 1.177 20 0 EDADMP CC(C)Cn1cc(CN2CC[N@@H+](C[C@H]3CN(C)CCO3)C[C@@H]2C)cn1 ZINC000374716184 157375740 /nfs/dbraw/zinc/37/57/40/157375740.db2.gz KXKUUYXZPVHWME-PKOBYXMFSA-N 2 1 349.523 1.376 20 0 EDADMP CC(C)Cn1cc(CN2CCN(C[C@H]3CN(C)CCO3)C[C@@H]2C)cn1 ZINC000374716184 157375742 /nfs/dbraw/zinc/37/57/42/157375742.db2.gz KXKUUYXZPVHWME-PKOBYXMFSA-N 2 1 349.523 1.376 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)Cc3ccccc3)C2)CC1 ZINC000377832450 158005145 /nfs/dbraw/zinc/00/51/45/158005145.db2.gz SAUPTZXRFNBZOD-WOJBJXKFSA-N 2 1 331.504 1.690 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377880923 158018561 /nfs/dbraw/zinc/01/85/61/158018561.db2.gz UDUICXGFDWRXHX-JKSUJKDBSA-N 2 1 335.452 1.134 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377880923 158018564 /nfs/dbraw/zinc/01/85/64/158018564.db2.gz UDUICXGFDWRXHX-JKSUJKDBSA-N 2 1 335.452 1.134 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000377963326 158040935 /nfs/dbraw/zinc/04/09/35/158040935.db2.gz UZXRQEKOHIBIGQ-UHFFFAOYSA-N 2 1 341.496 1.106 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000378422085 158169431 /nfs/dbraw/zinc/16/94/31/158169431.db2.gz AQZUXZLZDXEOFI-ZBFHGGJFSA-N 2 1 335.496 1.528 20 0 EDADMP C[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000101648727 286775942 /nfs/dbraw/zinc/77/59/42/286775942.db2.gz KSCGKIYAHIBCNH-YOEHRIQHSA-N 2 1 336.455 1.181 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352141037 162008725 /nfs/dbraw/zinc/00/87/25/162008725.db2.gz PWVKYGQMUNPACW-GDBMZVCRSA-N 2 1 326.485 1.127 20 0 EDADMP CN(CCCNC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000352519098 162226551 /nfs/dbraw/zinc/22/65/51/162226551.db2.gz LVSIYIMZFLTLJX-SFHVURJKSA-N 2 1 332.492 1.832 20 0 EDADMP CN(CCCNC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000352519098 162226555 /nfs/dbraw/zinc/22/65/55/162226555.db2.gz LVSIYIMZFLTLJX-SFHVURJKSA-N 2 1 332.492 1.832 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCc3ccc(F)cc3)C2)CC1 ZINC000364231693 162320901 /nfs/dbraw/zinc/32/09/01/162320901.db2.gz PBOVGGYTWFOTKD-QGZVFWFLSA-N 2 1 348.466 1.836 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCc3ccc(F)cc3)C2)CC1 ZINC000364231693 162320907 /nfs/dbraw/zinc/32/09/07/162320907.db2.gz PBOVGGYTWFOTKD-QGZVFWFLSA-N 2 1 348.466 1.836 20 0 EDADMP C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000072759269 287256608 /nfs/dbraw/zinc/25/66/08/287256608.db2.gz JBCPLMAZXOEETM-KRWDZBQOSA-N 2 1 346.475 1.920 20 0 EDADMP C[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000072759269 287256609 /nfs/dbraw/zinc/25/66/09/287256609.db2.gz JBCPLMAZXOEETM-KRWDZBQOSA-N 2 1 346.475 1.920 20 0 EDADMP C[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC[C@@H]1CCCC[N@H+]1C ZINC000072759269 287256610 /nfs/dbraw/zinc/25/66/10/287256610.db2.gz JBCPLMAZXOEETM-KRWDZBQOSA-N 2 1 346.475 1.920 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000074846678 287273641 /nfs/dbraw/zinc/27/36/41/287273641.db2.gz FWHUYDFVLSZXMW-UHFFFAOYSA-N 2 1 338.496 1.365 20 0 EDADMP [NH3+][C@@H]1[C@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@@H]2CC[C@H]1C2 ZINC000164739331 226095255 /nfs/dbraw/zinc/09/52/55/226095255.db2.gz DAQFPJFSRXQUGU-HCXYKTFWSA-N 2 1 343.471 1.508 20 0 EDADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CSC[NH2+]1 ZINC000166214081 226151487 /nfs/dbraw/zinc/15/14/87/226151487.db2.gz HIQVHFVPCBHZHB-AWEZNQCLSA-N 2 1 325.503 1.739 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000123282482 222248915 /nfs/dbraw/zinc/24/89/15/222248915.db2.gz AUWUSACXYIHERJ-YOEHRIQHSA-N 2 1 328.501 1.109 20 0 EDADMP O=C(Nc1c[nH+]ccc1-n1ccnc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000275707881 268371113 /nfs/dbraw/zinc/37/11/13/268371113.db2.gz SBANSYDDPXEXCA-ZDUSSCGKSA-N 2 1 337.387 1.641 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[NH2+]C3CC3)cc2)CC1 ZINC000154675221 287648483 /nfs/dbraw/zinc/64/84/83/287648483.db2.gz YCJQPWSRNKLMBZ-UHFFFAOYSA-N 2 1 344.459 1.084 20 0 EDADMP COC(=O)c1coc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000278168396 273251197 /nfs/dbraw/zinc/25/11/97/273251197.db2.gz CHUJXJRDMGTCEI-ZBFHGGJFSA-N 2 1 337.464 1.989 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000283987848 274038699 /nfs/dbraw/zinc/03/86/99/274038699.db2.gz JFHWGAQOVNEZMO-UHFFFAOYSA-N 2 1 349.479 1.032 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000284353049 274171861 /nfs/dbraw/zinc/17/18/61/274171861.db2.gz XDHHXPGXPJTPKA-UHFFFAOYSA-N 2 1 349.479 1.079 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000284462322 274210697 /nfs/dbraw/zinc/21/06/97/274210697.db2.gz NMNHAQKCGMVLGY-UHFFFAOYSA-N 2 1 348.491 1.163 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342763676 274486488 /nfs/dbraw/zinc/48/64/88/274486488.db2.gz DBDZWPQHDPVZAD-IXDOHACOSA-N 2 1 345.491 1.096 20 0 EDADMP O=C(Nc1c[nH+]ccc1-n1ccnc1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424147243 275001046 /nfs/dbraw/zinc/00/10/46/275001046.db2.gz QXHUECKHUKFGGJ-GFCCVEGCSA-N 2 1 338.375 1.036 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)[C@@H]2CCOC2)[C@H](C)C1 ZINC000658074029 452716786 /nfs/dbraw/zinc/71/67/86/452716786.db2.gz BSUGYEWVSNJMAM-BDXSIMOUSA-N 2 1 328.497 1.765 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000351815901 276327990 /nfs/dbraw/zinc/32/79/90/276327990.db2.gz STRPTJYHQVIWRV-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000363680756 276383647 /nfs/dbraw/zinc/38/36/47/276383647.db2.gz WMGBHTPORHNHEA-UHFFFAOYSA-N 2 1 336.524 1.491 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000363680756 276383649 /nfs/dbraw/zinc/38/36/49/276383649.db2.gz WMGBHTPORHNHEA-UHFFFAOYSA-N 2 1 336.524 1.491 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000363680756 276383651 /nfs/dbraw/zinc/38/36/51/276383651.db2.gz WMGBHTPORHNHEA-UHFFFAOYSA-N 2 1 336.524 1.491 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC000345548623 277151903 /nfs/dbraw/zinc/15/19/03/277151903.db2.gz DWLOPMVSVBWNMY-SZMVWBNQSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000345548623 277151904 /nfs/dbraw/zinc/15/19/04/277151904.db2.gz DWLOPMVSVBWNMY-SZMVWBNQSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000345548623 277151906 /nfs/dbraw/zinc/15/19/06/277151906.db2.gz DWLOPMVSVBWNMY-SZMVWBNQSA-N 2 1 335.492 1.573 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[C@H]1O ZINC000286520163 288025903 /nfs/dbraw/zinc/02/59/03/288025903.db2.gz NDFITUSCRVTQGZ-RTBURBONSA-N 2 1 345.487 1.744 20 0 EDADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1N(C)C ZINC000354298214 278258029 /nfs/dbraw/zinc/25/80/29/278258029.db2.gz XFDDHFJPGDOZAJ-JKSUJKDBSA-N 2 1 332.492 1.991 20 0 EDADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1N(C)C ZINC000354298214 278258031 /nfs/dbraw/zinc/25/80/31/278258031.db2.gz XFDDHFJPGDOZAJ-JKSUJKDBSA-N 2 1 332.492 1.991 20 0 EDADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496156620 288049979 /nfs/dbraw/zinc/04/99/79/288049979.db2.gz ADNPZJPUSBSPRO-OWCLPIDISA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C[C@H](C)O1 ZINC000333149606 288066689 /nfs/dbraw/zinc/06/66/89/288066689.db2.gz FCJLZRMJMGOFGO-APIJFGDWSA-N 2 1 326.485 1.171 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C[C@H](C)O1 ZINC000333149606 288066693 /nfs/dbraw/zinc/06/66/93/288066693.db2.gz FCJLZRMJMGOFGO-APIJFGDWSA-N 2 1 326.485 1.171 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000357980032 279157591 /nfs/dbraw/zinc/15/75/91/279157591.db2.gz URSWNXMTFKBGLN-PMPSAXMXSA-N 2 1 326.485 1.221 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000188697654 279280460 /nfs/dbraw/zinc/28/04/60/279280460.db2.gz HHMBTYFEHGNDLY-CVEARBPZSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188697654 279280461 /nfs/dbraw/zinc/28/04/61/279280461.db2.gz HHMBTYFEHGNDLY-CVEARBPZSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188697654 279280464 /nfs/dbraw/zinc/28/04/64/279280464.db2.gz HHMBTYFEHGNDLY-CVEARBPZSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC(C)(C)CCC[NH3+])CC1 ZINC000417758065 279358568 /nfs/dbraw/zinc/35/85/68/279358568.db2.gz UPMQWUAOUGVEEJ-HNNXBMFYSA-N 2 1 327.517 1.077 20 0 EDADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000370122607 280129529 /nfs/dbraw/zinc/12/95/29/280129529.db2.gz OGRFJUFVTBYGLU-PKOBYXMFSA-N 2 1 349.519 1.964 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCCC1 ZINC000361288021 280246105 /nfs/dbraw/zinc/24/61/05/280246105.db2.gz NSKMWYQLUMDNQM-ZACQAIPSSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCCC1 ZINC000358831136 280247594 /nfs/dbraw/zinc/24/75/94/280247594.db2.gz PSBWPUONKSTFKZ-SJORKVTESA-N 2 1 339.528 1.042 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1CCOC ZINC000418726374 280355943 /nfs/dbraw/zinc/35/59/43/280355943.db2.gz CRMJHYQYVAGIIE-OWCLPIDISA-N 2 1 326.485 1.256 20 0 EDADMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000370766827 281187434 /nfs/dbraw/zinc/18/74/34/281187434.db2.gz OTQYUNDJPQOSJI-HOCLYGCPSA-N 2 1 346.479 1.292 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000288017736 288382112 /nfs/dbraw/zinc/38/21/12/288382112.db2.gz PVSONMMGQBECEP-UHFFFAOYSA-N 2 1 349.479 1.032 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000289895711 288798963 /nfs/dbraw/zinc/79/89/63/288798963.db2.gz MRJYIFFXFCEGBC-CRAIPNDOSA-N 2 1 331.460 1.888 20 0 EDADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291380680 289047435 /nfs/dbraw/zinc/04/74/35/289047435.db2.gz AZLLGUOUMHEGAK-HNNXBMFYSA-N 2 1 344.459 1.558 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCC[N@H+]1C ZINC000345319952 289059037 /nfs/dbraw/zinc/05/90/37/289059037.db2.gz MQRSBGDLQGOEES-VQIMIIECSA-N 2 1 344.503 1.647 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)CN1CCC[N@H+](C2CC2)CC1)c1ccccc1 ZINC000184576554 289277247 /nfs/dbraw/zinc/27/72/47/289277247.db2.gz QZARZYIYVPDBPB-IBGZPJMESA-N 2 1 344.503 1.576 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1OCCc2sccc21 ZINC000292533655 289374216 /nfs/dbraw/zinc/37/42/16/289374216.db2.gz XGQGRVMDZUAXOR-DYVFJYSZSA-N 2 1 337.489 1.504 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1C ZINC000364923597 290099731 /nfs/dbraw/zinc/09/97/31/290099731.db2.gz YDOSXUDNHSOCAU-HRCADAONSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H]1C ZINC000364923597 290099733 /nfs/dbraw/zinc/09/97/33/290099733.db2.gz YDOSXUDNHSOCAU-HRCADAONSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@@H]1C ZINC000364923597 290099734 /nfs/dbraw/zinc/09/97/34/290099734.db2.gz YDOSXUDNHSOCAU-HRCADAONSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000373373473 297017793 /nfs/dbraw/zinc/01/77/93/297017793.db2.gz QPQACBPHAQTLFV-PNKHAZJDSA-N 2 1 337.508 1.817 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000373373473 297017794 /nfs/dbraw/zinc/01/77/94/297017794.db2.gz QPQACBPHAQTLFV-PNKHAZJDSA-N 2 1 337.508 1.817 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C2 ZINC000377900558 293618504 /nfs/dbraw/zinc/61/85/04/293618504.db2.gz DIUDTZYIXRQWJX-WBVHZDCISA-N 2 1 334.464 1.323 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000339495319 297268324 /nfs/dbraw/zinc/26/83/24/297268324.db2.gz WZEWVEHTPYXFTL-OLZOCXBDSA-N 2 1 338.496 1.011 20 0 EDADMP COc1cc(C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C2CC2)ccc1O ZINC000414753004 447322549 /nfs/dbraw/zinc/32/25/49/447322549.db2.gz VSWBSRVKQIHOFH-HNNXBMFYSA-N 2 1 347.459 1.563 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cn2cc[nH+]c12 ZINC000294138585 303068229 /nfs/dbraw/zinc/06/82/29/303068229.db2.gz QFMWCXIMFOUNJJ-HIFRSBDPSA-N 2 1 343.431 1.570 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000294266415 303084741 /nfs/dbraw/zinc/08/47/41/303084741.db2.gz QUGARGGKDJRBGY-HNNXBMFYSA-N 2 1 345.451 1.646 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000294270628 303085280 /nfs/dbraw/zinc/08/52/80/303085280.db2.gz RCAJHCRRDMILQX-UHFFFAOYSA-N 2 1 333.440 1.504 20 0 EDADMP C[N@@H+]1CCC[C@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)CC[C@H]21 ZINC000294963689 303157497 /nfs/dbraw/zinc/15/74/97/303157497.db2.gz NITIOAAWWPWYTF-WMLDXEAASA-N 2 1 325.416 1.824 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)CC[C@H]21 ZINC000294963689 303157499 /nfs/dbraw/zinc/15/74/99/303157499.db2.gz NITIOAAWWPWYTF-WMLDXEAASA-N 2 1 325.416 1.824 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000296078458 303294062 /nfs/dbraw/zinc/29/40/62/303294062.db2.gz XDINVWZBZDOBCC-WWTUQBGBSA-N 2 1 337.489 1.871 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000296078458 303294063 /nfs/dbraw/zinc/29/40/63/303294063.db2.gz XDINVWZBZDOBCC-WWTUQBGBSA-N 2 1 337.489 1.871 20 0 EDADMP O=C1CCC(=O)N1CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297337128 303387035 /nfs/dbraw/zinc/38/70/35/303387035.db2.gz DHLZIVIUEMGXRY-UHFFFAOYSA-N 2 1 338.411 1.506 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC000416790291 303412044 /nfs/dbraw/zinc/41/20/44/303412044.db2.gz MFGFTIKTAHYMSI-MSOLQXFVSA-N 2 1 346.475 1.093 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458377729 447334707 /nfs/dbraw/zinc/33/47/07/447334707.db2.gz WLFCPNKRNULELF-HNNXBMFYSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1C[NH2+]C1 ZINC000422960181 304880940 /nfs/dbraw/zinc/88/09/40/304880940.db2.gz VNCWEUKXCRZLKI-CYBMUJFWSA-N 2 1 336.867 1.186 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000423936236 304919634 /nfs/dbraw/zinc/91/96/34/304919634.db2.gz BXKZVHQSTNUFMZ-JHNDHUHGSA-N 2 1 325.497 1.754 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)[C@H]1n1cccn1 ZINC000425896201 304976361 /nfs/dbraw/zinc/97/63/61/304976361.db2.gz NSNHYNKVSBRDEW-KZNAEPCWSA-N 2 1 345.447 1.846 20 0 EDADMP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000430601907 305057923 /nfs/dbraw/zinc/05/79/23/305057923.db2.gz VJXLMHJQLHFBAX-AWEZNQCLSA-N 2 1 335.448 1.852 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000430701059 305062805 /nfs/dbraw/zinc/06/28/05/305062805.db2.gz COVDAXFRGAHHKQ-RVKKMQEKSA-N 2 1 349.475 1.701 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000430701059 305062806 /nfs/dbraw/zinc/06/28/06/305062806.db2.gz COVDAXFRGAHHKQ-RVKKMQEKSA-N 2 1 349.475 1.701 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[NH2+]C[C@H]2CCCO2)[C@@H](C)C1 ZINC000430702921 305062900 /nfs/dbraw/zinc/06/29/00/305062900.db2.gz DEXMIPLHERFDDO-BBWFWOEESA-N 2 1 341.496 1.008 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000430778758 305064813 /nfs/dbraw/zinc/06/48/13/305064813.db2.gz VESZOFPNBCXRDT-KDOFPFPSSA-N 2 1 347.459 1.312 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)[C@@H]1c1cccs1 ZINC000430809164 305065121 /nfs/dbraw/zinc/06/51/21/305065121.db2.gz GDWJHPWNMBDKFX-CKEIUWERSA-N 2 1 337.489 1.626 20 0 EDADMP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000430945442 305069925 /nfs/dbraw/zinc/06/99/25/305069925.db2.gz XJSFOPZANHDTHR-ZDUSSCGKSA-N 2 1 335.448 1.962 20 0 EDADMP COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)c(OC)c1 ZINC000430968510 305071719 /nfs/dbraw/zinc/07/17/19/305071719.db2.gz WTMUJLCRHMPZBS-RHSMWYFYSA-N 2 1 347.459 1.648 20 0 EDADMP COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)c(OC)c1 ZINC000430968510 305071720 /nfs/dbraw/zinc/07/17/20/305071720.db2.gz WTMUJLCRHMPZBS-RHSMWYFYSA-N 2 1 347.459 1.648 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000431009026 305072721 /nfs/dbraw/zinc/07/27/21/305072721.db2.gz VNMUEZPOPCNAGV-ZDUSSCGKSA-N 2 1 345.447 1.232 20 0 EDADMP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc(Cl)c1OCC(N)=O ZINC000414898442 447348780 /nfs/dbraw/zinc/34/87/80/447348780.db2.gz AHNQVQZTCLDBIP-GFCCVEGCSA-N 2 1 341.839 1.444 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433453803 305109451 /nfs/dbraw/zinc/10/94/51/305109451.db2.gz CHUXIWHFGXITRO-BRWVUGGUSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433453803 305109452 /nfs/dbraw/zinc/10/94/52/305109452.db2.gz CHUXIWHFGXITRO-BRWVUGGUSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433453803 305109453 /nfs/dbraw/zinc/10/94/53/305109453.db2.gz CHUXIWHFGXITRO-BRWVUGGUSA-N 2 1 340.512 1.469 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000435387061 305139493 /nfs/dbraw/zinc/13/94/93/305139493.db2.gz WRURUCVDOZXHQE-HOCLYGCPSA-N 2 1 349.475 1.769 20 0 EDADMP CC[N@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]CC1 ZINC000435620050 305143813 /nfs/dbraw/zinc/14/38/13/305143813.db2.gz YWGWRXLVFUSCFQ-IAGOWNOFSA-N 2 1 331.460 1.570 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]CC1 ZINC000435620050 305143814 /nfs/dbraw/zinc/14/38/14/305143814.db2.gz YWGWRXLVFUSCFQ-IAGOWNOFSA-N 2 1 331.460 1.570 20 0 EDADMP CC[N@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000435626160 305143894 /nfs/dbraw/zinc/14/38/94/305143894.db2.gz JSUQHQKODJUVAQ-BZUAXINKSA-N 2 1 338.496 1.855 20 0 EDADMP CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000435626160 305143895 /nfs/dbraw/zinc/14/38/95/305143895.db2.gz JSUQHQKODJUVAQ-BZUAXINKSA-N 2 1 338.496 1.855 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[NH2+][C@@H](C)[C@@H]3C)CC2)c1 ZINC000436053590 305151539 /nfs/dbraw/zinc/15/15/39/305151539.db2.gz UFUCIXUXLDFFOL-ROUUACIJSA-N 2 1 344.503 1.321 20 0 EDADMP CN(C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CCCCC1 ZINC000436060070 305151825 /nfs/dbraw/zinc/15/18/25/305151825.db2.gz MCAJKSRZYORPPI-MRXNPFEDSA-N 2 1 338.496 1.097 20 0 EDADMP CN(C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CCCCC1 ZINC000436060070 305151826 /nfs/dbraw/zinc/15/18/26/305151826.db2.gz MCAJKSRZYORPPI-MRXNPFEDSA-N 2 1 338.496 1.097 20 0 EDADMP CC1=CC[NH+](CCNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000436386524 305156518 /nfs/dbraw/zinc/15/65/18/305156518.db2.gz PLSBJVFZKQBGPW-MRXNPFEDSA-N 2 1 338.496 1.125 20 0 EDADMP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000436386524 305156519 /nfs/dbraw/zinc/15/65/19/305156519.db2.gz PLSBJVFZKQBGPW-MRXNPFEDSA-N 2 1 338.496 1.125 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000436386524 305156520 /nfs/dbraw/zinc/15/65/20/305156520.db2.gz PLSBJVFZKQBGPW-MRXNPFEDSA-N 2 1 338.496 1.125 20 0 EDADMP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443066160 305234429 /nfs/dbraw/zinc/23/44/29/305234429.db2.gz DMZNDKDYDUBGNE-CABCVRRESA-N 2 1 349.475 1.942 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CCC([NH+](C)C[C@H](C)O)CC1)c1ccccc1 ZINC000444375911 305247486 /nfs/dbraw/zinc/24/74/86/305247486.db2.gz QWWZBMSSNNNSJX-LPHOPBHVSA-N 2 1 347.503 1.983 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1)c1ccccc1 ZINC000444375911 305247487 /nfs/dbraw/zinc/24/74/87/305247487.db2.gz QWWZBMSSNNNSJX-LPHOPBHVSA-N 2 1 347.503 1.983 20 0 EDADMP CCOC1CC(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)(N2CCOCC2)C1 ZINC000447566116 305282279 /nfs/dbraw/zinc/28/22/79/305282279.db2.gz QMBBUWYOMQZPSI-NALMEZQBSA-N 2 1 325.497 1.186 20 0 EDADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000449243465 305309345 /nfs/dbraw/zinc/30/93/45/305309345.db2.gz KZSCHZZGKAGNNP-FXAWDEMLSA-N 2 1 331.504 1.738 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2C(=O)N[C@H](C)C2=O)cc1 ZINC000459391620 305519864 /nfs/dbraw/zinc/51/98/64/305519864.db2.gz VFBZMYUCUCBBCB-QWHCGFSZSA-N 2 1 341.415 1.772 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377782355 447354183 /nfs/dbraw/zinc/35/41/83/447354183.db2.gz QBICZHVBAGPSFQ-DLBZAZTESA-N 2 1 337.508 1.439 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414913019 447354530 /nfs/dbraw/zinc/35/45/30/447354530.db2.gz VNEQLMFODNXCOU-CQSZACIVSA-N 2 1 344.459 1.071 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCC(F)(F)C[NH3+])c1ccc(Cl)cc1 ZINC000516023795 305731240 /nfs/dbraw/zinc/73/12/40/305731240.db2.gz AHYZSSQNDNNSMN-LBPRGKRZSA-N 2 1 334.798 1.836 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529306221 305907546 /nfs/dbraw/zinc/90/75/46/305907546.db2.gz RGQBUPGCUGDLJA-QGZVFWFLSA-N 2 1 349.479 1.382 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449130457 447366180 /nfs/dbraw/zinc/36/61/80/447366180.db2.gz ZCRBXNWGKHFKDA-ZDUSSCGKSA-N 2 1 341.377 1.845 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000553163226 306183260 /nfs/dbraw/zinc/18/32/60/306183260.db2.gz JVRCUQBJNHCAOP-HNNXBMFYSA-N 2 1 332.448 1.077 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000554568161 306195521 /nfs/dbraw/zinc/19/55/21/306195521.db2.gz YBIFURGZMLRJTM-BQFCYCMXSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000554568161 306195522 /nfs/dbraw/zinc/19/55/22/306195522.db2.gz YBIFURGZMLRJTM-BQFCYCMXSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000414973225 447380544 /nfs/dbraw/zinc/38/05/44/447380544.db2.gz YZVRVBSMDXTOPS-OAHLLOKOSA-N 2 1 334.464 1.810 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCC(O)CC1 ZINC000080565235 441180534 /nfs/dbraw/zinc/18/05/34/441180534.db2.gz UIQADMYDCVPAEU-CGZBRXJRSA-N 2 1 340.512 1.347 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000105112032 441234552 /nfs/dbraw/zinc/23/45/52/441234552.db2.gz ALYSWRMMOCGMDA-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000105112032 441234554 /nfs/dbraw/zinc/23/45/54/441234554.db2.gz ALYSWRMMOCGMDA-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000105112032 441234555 /nfs/dbraw/zinc/23/45/55/441234555.db2.gz ALYSWRMMOCGMDA-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP CC[NH+](CC)CCNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000047578406 441205620 /nfs/dbraw/zinc/20/56/20/441205620.db2.gz KROCCEOZOGABIV-UHFFFAOYSA-N 2 1 347.507 1.450 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000047683582 441219297 /nfs/dbraw/zinc/21/92/97/441219297.db2.gz GAJOTRXFYOIWAC-QGZVFWFLSA-N 2 1 342.528 1.761 20 0 EDADMP Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000081360677 441257399 /nfs/dbraw/zinc/25/73/99/441257399.db2.gz OIXJOFAAUFYTCB-IBGZPJMESA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000081360677 441257402 /nfs/dbraw/zinc/25/74/02/441257402.db2.gz OIXJOFAAUFYTCB-IBGZPJMESA-N 2 1 345.487 1.654 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[C@@H]1O ZINC000081569027 441291343 /nfs/dbraw/zinc/29/13/43/441291343.db2.gz NDFITUSCRVTQGZ-MOPGFXCFSA-N 2 1 345.487 1.744 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000073643721 441337538 /nfs/dbraw/zinc/33/75/38/441337538.db2.gz WMUMKVJLHGEWNM-SJLPKXTDSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000073643721 441337539 /nfs/dbraw/zinc/33/75/39/441337539.db2.gz WMUMKVJLHGEWNM-SJLPKXTDSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000073653544 441339973 /nfs/dbraw/zinc/33/99/73/441339973.db2.gz IGXODDVCFCGUNO-IAGOWNOFSA-N 2 1 341.544 1.290 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073288319 441307449 /nfs/dbraw/zinc/30/74/49/441307449.db2.gz MHAKKBTZZQYBRJ-UHFFFAOYSA-N 2 1 334.464 1.301 20 0 EDADMP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000106901762 441386691 /nfs/dbraw/zinc/38/66/91/441386691.db2.gz UCNZTTSEDMVSQV-SFHVURJKSA-N 2 1 333.476 1.721 20 0 EDADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000106543134 441353584 /nfs/dbraw/zinc/35/35/84/441353584.db2.gz AFCIIIDCXKMMLC-KRWDZBQOSA-N 2 1 347.507 1.054 20 0 EDADMP C[C@@H](CN1CCN(C)CC1)NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000106543134 441353588 /nfs/dbraw/zinc/35/35/88/441353588.db2.gz AFCIIIDCXKMMLC-KRWDZBQOSA-N 2 1 347.507 1.054 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C[NH+]1CCCCC1 ZINC000106539573 441353693 /nfs/dbraw/zinc/35/36/93/441353693.db2.gz OBXKVSKZUOQOOF-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@H+](C)CCNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000073896987 441367104 /nfs/dbraw/zinc/36/71/04/441367104.db2.gz BYHQIHNYHTVOEL-QGZVFWFLSA-N 2 1 347.507 1.448 20 0 EDADMP CC[N@@H+](C)CCNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000073896987 441367109 /nfs/dbraw/zinc/36/71/09/441367109.db2.gz BYHQIHNYHTVOEL-QGZVFWFLSA-N 2 1 347.507 1.448 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000108618422 441469040 /nfs/dbraw/zinc/46/90/40/441469040.db2.gz WWLXSJMQQKWGPU-QGZVFWFLSA-N 2 1 344.459 1.287 20 0 EDADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713593 441471709 /nfs/dbraw/zinc/47/17/09/441471709.db2.gz URJKATDAKZOWTG-OAHLLOKOSA-N 2 1 338.496 1.809 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000074846665 441471761 /nfs/dbraw/zinc/47/17/61/441471761.db2.gz PEVABOYYEIOVAV-INIZCTEOSA-N 2 1 334.508 1.987 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000052867507 441482468 /nfs/dbraw/zinc/48/24/68/441482468.db2.gz LNKUVNMRDCNTTG-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000052867507 441482473 /nfs/dbraw/zinc/48/24/73/441482473.db2.gz LNKUVNMRDCNTTG-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000052867507 441482477 /nfs/dbraw/zinc/48/24/77/441482477.db2.gz LNKUVNMRDCNTTG-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000074676306 441456690 /nfs/dbraw/zinc/45/66/90/441456690.db2.gz JLSVLOCXPGOFKN-UHFFFAOYSA-N 2 1 338.540 1.591 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000074676306 441456694 /nfs/dbraw/zinc/45/66/94/441456694.db2.gz JLSVLOCXPGOFKN-UHFFFAOYSA-N 2 1 338.540 1.591 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000109701399 441502782 /nfs/dbraw/zinc/50/27/82/441502782.db2.gz CDKRWCHCAXWVAO-IRXDYDNUSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000109701399 441502786 /nfs/dbraw/zinc/50/27/86/441502786.db2.gz CDKRWCHCAXWVAO-IRXDYDNUSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1cccc(C(N)=O)c1 ZINC000089546918 441559046 /nfs/dbraw/zinc/55/90/46/441559046.db2.gz LVLYQDHWKVFEHQ-MNEFBYGVSA-N 2 1 345.487 1.807 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090518067 441632846 /nfs/dbraw/zinc/63/28/46/441632846.db2.gz JDHXJUSOJCTRSS-SJORKVTESA-N 2 1 338.496 1.415 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090518067 441632849 /nfs/dbraw/zinc/63/28/49/441632849.db2.gz JDHXJUSOJCTRSS-SJORKVTESA-N 2 1 338.496 1.415 20 0 EDADMP CC(C)[N@H+](C)CCCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000055327044 441642104 /nfs/dbraw/zinc/64/21/04/441642104.db2.gz UOPIBDFYGZGTLM-UHFFFAOYSA-N 2 1 335.496 1.479 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000055327044 441642112 /nfs/dbraw/zinc/64/21/12/441642112.db2.gz UOPIBDFYGZGTLM-UHFFFAOYSA-N 2 1 335.496 1.479 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000067507152 441646610 /nfs/dbraw/zinc/64/66/10/441646610.db2.gz PVWCAMLUUYPZQL-INIZCTEOSA-N 2 1 333.476 1.974 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000067507152 441646611 /nfs/dbraw/zinc/64/66/11/441646611.db2.gz PVWCAMLUUYPZQL-INIZCTEOSA-N 2 1 333.476 1.974 20 0 EDADMP O=C(C[N@H+]1CCC[C@H](O)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076432667 441646751 /nfs/dbraw/zinc/64/67/51/441646751.db2.gz KGSYAKYWXNHGPA-SFHVURJKSA-N 2 1 331.460 1.355 20 0 EDADMP O=C(C[N@@H+]1CCC[C@H](O)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076432667 441646754 /nfs/dbraw/zinc/64/67/54/441646754.db2.gz KGSYAKYWXNHGPA-SFHVURJKSA-N 2 1 331.460 1.355 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000158291691 441719077 /nfs/dbraw/zinc/71/90/77/441719077.db2.gz AFWWSEJRBWHYNJ-INIZCTEOSA-N 2 1 340.512 1.376 20 0 EDADMP CCCCOC(=O)CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000116399708 441819527 /nfs/dbraw/zinc/81/95/27/441819527.db2.gz PRNKDWGCQCIIIA-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP CCCCOC(=O)CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000116399708 441819533 /nfs/dbraw/zinc/81/95/33/441819533.db2.gz PRNKDWGCQCIIIA-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000173673044 441821000 /nfs/dbraw/zinc/82/10/00/441821000.db2.gz KRCRAZYOHPOFLN-ZACQAIPSSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000173673044 441821006 /nfs/dbraw/zinc/82/10/06/441821006.db2.gz KRCRAZYOHPOFLN-ZACQAIPSSA-N 2 1 340.512 1.467 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000077574200 441808288 /nfs/dbraw/zinc/80/82/88/441808288.db2.gz PGKQALGZJHMJAT-MRXNPFEDSA-N 2 1 327.517 1.044 20 0 EDADMP COCCN1CCC([NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000173645137 441813059 /nfs/dbraw/zinc/81/30/59/441813059.db2.gz LPIPWUQPLLIGTG-LBPRGKRZSA-N 2 1 341.402 1.992 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000174181631 441899858 /nfs/dbraw/zinc/89/98/58/441899858.db2.gz NEQPEANABKBDKY-QGZVFWFLSA-N 2 1 344.503 1.900 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC000078511363 441939243 /nfs/dbraw/zinc/93/92/43/441939243.db2.gz POQQGSOOXPCCRQ-MRXNPFEDSA-N 2 1 334.464 1.691 20 0 EDADMP CC[C@@H](C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)[NH+](C)C ZINC000125200014 441995017 /nfs/dbraw/zinc/99/50/17/441995017.db2.gz RDOUABILPJHGIE-INIZCTEOSA-N 2 1 336.480 1.960 20 0 EDADMP CN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000151135383 442011552 /nfs/dbraw/zinc/01/15/52/442011552.db2.gz CAJFJBSNMCFGFR-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000151135383 442011558 /nfs/dbraw/zinc/01/15/58/442011558.db2.gz CAJFJBSNMCFGFR-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000079886202 442094070 /nfs/dbraw/zinc/09/40/70/442094070.db2.gz GYFMDPAUYNZWIP-NVXWUHKLSA-N 2 1 347.507 1.389 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1)C1CC1 ZINC000151486139 442069976 /nfs/dbraw/zinc/06/99/76/442069976.db2.gz ITRUMGDCEPZQNE-UHFFFAOYSA-N 2 1 345.491 1.324 20 0 EDADMP O=C(NCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccn[nH]1 ZINC000162289533 442080980 /nfs/dbraw/zinc/08/09/80/442080980.db2.gz DKCPATUSLCVSRX-UHFFFAOYSA-N 2 1 341.459 1.436 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCC1CC[NH2+]CC1 ZINC000120525449 442089097 /nfs/dbraw/zinc/08/90/97/442089097.db2.gz GYAXQDPPAQRGKM-GOSISDBHSA-N 2 1 331.460 1.393 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC1CC[NH2+]CC1 ZINC000120525449 442089102 /nfs/dbraw/zinc/08/91/02/442089102.db2.gz GYAXQDPPAQRGKM-GOSISDBHSA-N 2 1 331.460 1.393 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175736180 442113362 /nfs/dbraw/zinc/11/33/62/442113362.db2.gz OIQHQNRKZYKNQI-UHFFFAOYSA-N 2 1 340.512 1.472 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2)CC1 ZINC000126658109 442130888 /nfs/dbraw/zinc/13/08/88/442130888.db2.gz DTIBQONDEHUUCK-UHFFFAOYSA-N 2 1 345.491 1.067 20 0 EDADMP CN(CC[N@H+](C)Cc1ccc(-n2ccnc2)nc1)C1CC[NH+](C)CC1 ZINC000126366409 442104290 /nfs/dbraw/zinc/10/42/90/442104290.db2.gz YWHICONJYKBFKJ-UHFFFAOYSA-N 2 1 342.491 1.725 20 0 EDADMP CN(CC[N@@H+](C)Cc1ccc(-n2ccnc2)nc1)C1CC[NH+](C)CC1 ZINC000126366409 442104296 /nfs/dbraw/zinc/10/42/96/442104296.db2.gz YWHICONJYKBFKJ-UHFFFAOYSA-N 2 1 342.491 1.725 20 0 EDADMP CCOCCCNC(=O)C1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000127302932 442191262 /nfs/dbraw/zinc/19/12/62/442191262.db2.gz UXTKDXYJLQCOOD-UHFFFAOYSA-N 2 1 336.480 1.836 20 0 EDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000163307712 442157885 /nfs/dbraw/zinc/15/78/85/442157885.db2.gz GLTXDILLFCBSCW-KBPBESRZSA-N 2 1 325.478 1.587 20 0 EDADMP COCCC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000128385262 442263350 /nfs/dbraw/zinc/26/33/50/442263350.db2.gz BDNAWWACJBKGFY-INIZCTEOSA-N 2 1 343.493 1.497 20 0 EDADMP COCCC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000128385262 442263352 /nfs/dbraw/zinc/26/33/52/442263352.db2.gz BDNAWWACJBKGFY-INIZCTEOSA-N 2 1 343.493 1.497 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000153788676 442303285 /nfs/dbraw/zinc/30/32/85/442303285.db2.gz MMXLJFCXBDTEQM-INIZCTEOSA-N 2 1 346.475 1.453 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CCCN(c2ccccn2)C1)[N@@H+](C)C1CC1 ZINC000129163276 442304159 /nfs/dbraw/zinc/30/41/59/442304159.db2.gz BOZVKNPRFQAJAF-GJZGRUSLSA-N 2 1 331.464 1.832 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000171197692 442326034 /nfs/dbraw/zinc/32/60/34/442326034.db2.gz RXBQAMZTVWZJBY-HNNXBMFYSA-N 2 1 338.496 1.271 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000171200913 442327029 /nfs/dbraw/zinc/32/70/29/442327029.db2.gz USRCNEDCDWQBEA-HOTGVXAUSA-N 2 1 342.528 1.620 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccco2)[C@H](C)C1 ZINC000177800975 442386128 /nfs/dbraw/zinc/38/61/28/442386128.db2.gz OPALXYMZZDGGGK-WBVHZDCISA-N 2 1 337.464 1.622 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccco2)[C@H](C)C1 ZINC000177800975 442386132 /nfs/dbraw/zinc/38/61/32/442386132.db2.gz OPALXYMZZDGGGK-WBVHZDCISA-N 2 1 337.464 1.622 20 0 EDADMP COc1cc(C[N@H+](CCO)C2CCN(C)CC2)cc(OC)c1OC ZINC000155508861 442403555 /nfs/dbraw/zinc/40/35/55/442403555.db2.gz UFHKQQKBMCZGBN-UHFFFAOYSA-N 2 1 338.448 1.601 20 0 EDADMP COc1cc(C[N@@H+](CCO)C2CCN(C)CC2)cc(OC)c1OC ZINC000155508861 442403558 /nfs/dbraw/zinc/40/35/58/442403558.db2.gz UFHKQQKBMCZGBN-UHFFFAOYSA-N 2 1 338.448 1.601 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000155666817 442417536 /nfs/dbraw/zinc/41/75/36/442417536.db2.gz CBCZLOSYRILXAD-QGZVFWFLSA-N 2 1 331.460 1.670 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)CC1 ZINC000155673546 442418024 /nfs/dbraw/zinc/41/80/24/442418024.db2.gz KQOZUIMORUFDQP-GOSISDBHSA-N 2 1 340.475 1.479 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000156210541 442454873 /nfs/dbraw/zinc/45/48/73/442454873.db2.gz YWMQYJZHXZYCAA-NJAFHUGGSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000156210541 442454874 /nfs/dbraw/zinc/45/48/74/442454874.db2.gz YWMQYJZHXZYCAA-NJAFHUGGSA-N 2 1 331.460 1.473 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000178728296 442465353 /nfs/dbraw/zinc/46/53/53/442465353.db2.gz QRFLHMWIPPMPGX-SFHVURJKSA-N 2 1 332.492 1.119 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000134923631 442537307 /nfs/dbraw/zinc/53/73/07/442537307.db2.gz XZJGIPWLHHWFNQ-ZBFHGGJFSA-N 2 1 348.491 1.656 20 0 EDADMP CC1(C)NC(=O)N(CCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000134923631 442537308 /nfs/dbraw/zinc/53/73/08/442537308.db2.gz XZJGIPWLHHWFNQ-ZBFHGGJFSA-N 2 1 348.491 1.656 20 0 EDADMP CC1(C)NC(=O)N(CCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000134923631 442537309 /nfs/dbraw/zinc/53/73/09/442537309.db2.gz XZJGIPWLHHWFNQ-ZBFHGGJFSA-N 2 1 348.491 1.656 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000178891403 442517002 /nfs/dbraw/zinc/51/70/02/442517002.db2.gz KLAXBWYPEOKUDM-QGZVFWFLSA-N 2 1 346.475 1.393 20 0 EDADMP CC[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000172984540 442578391 /nfs/dbraw/zinc/57/83/91/442578391.db2.gz QPIHNHIBIHGFMY-HNNXBMFYSA-N 2 1 341.496 1.354 20 0 EDADMP CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000157261169 442565847 /nfs/dbraw/zinc/56/58/47/442565847.db2.gz KKMXYBUTBDEFCK-INIZCTEOSA-N 2 1 345.443 1.369 20 0 EDADMP CN1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000157261169 442565851 /nfs/dbraw/zinc/56/58/51/442565851.db2.gz KKMXYBUTBDEFCK-INIZCTEOSA-N 2 1 345.443 1.369 20 0 EDADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000192721545 442680417 /nfs/dbraw/zinc/68/04/17/442680417.db2.gz GLNYXWJFCQDNGX-QGZVFWFLSA-N 2 1 345.553 1.302 20 0 EDADMP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)CS(C)(=O)=O ZINC000192740058 442682660 /nfs/dbraw/zinc/68/26/60/442682660.db2.gz WOUQTNCVMARIQO-MRXNPFEDSA-N 2 1 333.542 1.158 20 0 EDADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)CS(C)(=O)=O ZINC000192740058 442682662 /nfs/dbraw/zinc/68/26/62/442682662.db2.gz WOUQTNCVMARIQO-MRXNPFEDSA-N 2 1 333.542 1.158 20 0 EDADMP CC[NH+](CC)CCN1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000181365503 442692791 /nfs/dbraw/zinc/69/27/91/442692791.db2.gz UAJHLUWNLRQDQZ-SFHVURJKSA-N 2 1 326.529 1.055 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000187345456 442671089 /nfs/dbraw/zinc/67/10/89/442671089.db2.gz XSFMYUQELWSONG-UHFFFAOYSA-N 2 1 340.512 1.397 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1(C)C ZINC000188202498 442723931 /nfs/dbraw/zinc/72/39/31/442723931.db2.gz AQGYYXFDCIZNGI-DAYGRLMNSA-N 2 1 325.497 1.613 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000193525141 442750771 /nfs/dbraw/zinc/75/07/71/442750771.db2.gz ZFKYSAOUJPAIAI-JQHSSLGASA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000193525141 442750773 /nfs/dbraw/zinc/75/07/73/442750773.db2.gz ZFKYSAOUJPAIAI-JQHSSLGASA-N 2 1 331.460 1.534 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000246377710 442777226 /nfs/dbraw/zinc/77/72/26/442777226.db2.gz IBAIUAKRRROQQY-BBWFWOEESA-N 2 1 340.512 1.326 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000246377710 442777230 /nfs/dbraw/zinc/77/72/30/442777230.db2.gz IBAIUAKRRROQQY-BBWFWOEESA-N 2 1 340.512 1.326 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000265604894 442842550 /nfs/dbraw/zinc/84/25/50/442842550.db2.gz MQJKFHSGMSCXNX-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000265604894 442842556 /nfs/dbraw/zinc/84/25/56/442842556.db2.gz MQJKFHSGMSCXNX-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000265604894 442842561 /nfs/dbraw/zinc/84/25/61/442842561.db2.gz MQJKFHSGMSCXNX-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](CCOC)C2)cn1 ZINC000265649408 442863107 /nfs/dbraw/zinc/86/31/07/442863107.db2.gz XBQMZDXOJGZXCH-INIZCTEOSA-N 2 1 349.479 1.448 20 0 EDADMP O=S(=O)(CCO)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000189174889 442891874 /nfs/dbraw/zinc/89/18/74/442891874.db2.gz MRNHRIDVLAWWRW-JKSUJKDBSA-N 2 1 338.473 1.169 20 0 EDADMP O=S(=O)(CCO)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000189174889 442891879 /nfs/dbraw/zinc/89/18/79/442891879.db2.gz MRNHRIDVLAWWRW-JKSUJKDBSA-N 2 1 338.473 1.169 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194449989 442898313 /nfs/dbraw/zinc/89/83/13/442898313.db2.gz ADFBWDNPQLBQHO-GOSISDBHSA-N 2 1 348.491 1.122 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194449989 442898317 /nfs/dbraw/zinc/89/83/17/442898317.db2.gz ADFBWDNPQLBQHO-GOSISDBHSA-N 2 1 348.491 1.122 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194449989 442898320 /nfs/dbraw/zinc/89/83/20/442898320.db2.gz ADFBWDNPQLBQHO-GOSISDBHSA-N 2 1 348.491 1.122 20 0 EDADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[NH+](C)CC1 ZINC000194647031 442931162 /nfs/dbraw/zinc/93/11/62/442931162.db2.gz QPVLWPAZDSRZHF-QGZVFWFLSA-N 2 1 344.503 1.535 20 0 EDADMP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000189450302 442957092 /nfs/dbraw/zinc/95/70/92/442957092.db2.gz ORYCRZWVJHKTOH-INIZCTEOSA-N 2 1 346.475 1.535 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@H]3CC[N@@H+](CC)C[C@H]3C)CC2)c1=O ZINC000252528088 443041570 /nfs/dbraw/zinc/04/15/70/443041570.db2.gz FBDFCCQEZIOYSW-WBVHZDCISA-N 2 1 347.507 1.552 20 0 EDADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000268832930 443122162 /nfs/dbraw/zinc/12/21/62/443122162.db2.gz CQPXWUYIFWJGRI-SFHVURJKSA-N 2 1 331.460 1.826 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(C[N@@H+]3C[C@@H](C)[C@H](CO)C3)c2)C[C@H]1CO ZINC000190853251 443196296 /nfs/dbraw/zinc/19/62/96/443196296.db2.gz HCPJAQPYWMIGPI-YKCBXCCJSA-N 2 1 332.488 1.807 20 0 EDADMP CCOc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1OC ZINC000261968560 443176642 /nfs/dbraw/zinc/17/66/42/443176642.db2.gz HYOAYOMSJKMXET-INIZCTEOSA-N 2 1 349.475 1.913 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000262099400 443183276 /nfs/dbraw/zinc/18/32/76/443183276.db2.gz ZCVJZNHWVAPQKK-QGZVFWFLSA-N 2 1 325.412 1.941 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000262307409 443189809 /nfs/dbraw/zinc/18/98/09/443189809.db2.gz RQCRXFQOTUWXKP-ZOBUZTSGSA-N 2 1 344.459 1.592 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000262307409 443189813 /nfs/dbraw/zinc/18/98/13/443189813.db2.gz RQCRXFQOTUWXKP-ZOBUZTSGSA-N 2 1 344.459 1.592 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)c1cccc(OC)c1 ZINC000262386684 443192587 /nfs/dbraw/zinc/19/25/87/443192587.db2.gz XMCKKUXBDGKBEZ-OLMNPRSZSA-N 2 1 349.475 1.571 20 0 EDADMP C[NH+](C)C1(CNC(=O)c2csc(C[NH3+])n2)Cc2ccccc2C1 ZINC000269242200 443247985 /nfs/dbraw/zinc/24/79/85/443247985.db2.gz BNGPWYMAFNEQCV-UHFFFAOYSA-N 2 1 330.457 1.431 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397453197 319134675 /nfs/dbraw/zinc/13/46/75/319134675.db2.gz PYOYQUIHPRDADJ-FPCVCCKLSA-N 2 1 341.496 1.941 20 0 EDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401687988 319138058 /nfs/dbraw/zinc/13/80/58/319138058.db2.gz YFVGPZKXVSEKGO-INIZCTEOSA-N 2 1 328.416 1.963 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264198376 443254548 /nfs/dbraw/zinc/25/45/48/443254548.db2.gz DRYFGPSJRUMVFO-IEBWSBKVSA-N 2 1 346.519 1.822 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264198376 443254552 /nfs/dbraw/zinc/25/45/52/443254552.db2.gz DRYFGPSJRUMVFO-IEBWSBKVSA-N 2 1 346.519 1.822 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CCC([NH3+])CC3)c2)C1 ZINC000415087161 319346077 /nfs/dbraw/zinc/34/60/77/319346077.db2.gz KPNZVKPTSIOWMA-LMDPOFIKSA-N 3 1 344.503 1.743 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)CC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000416166709 319396141 /nfs/dbraw/zinc/39/61/41/319396141.db2.gz NQGNEEMJOJCJCZ-GOSISDBHSA-N 2 1 331.460 1.224 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000246167906 443274660 /nfs/dbraw/zinc/27/46/60/443274660.db2.gz LBLSAAFROLZKNF-DLBZAZTESA-N 2 1 341.544 1.290 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000246167906 443274665 /nfs/dbraw/zinc/27/46/65/443274665.db2.gz LBLSAAFROLZKNF-DLBZAZTESA-N 2 1 341.544 1.290 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000246167906 443274670 /nfs/dbraw/zinc/27/46/70/443274670.db2.gz LBLSAAFROLZKNF-DLBZAZTESA-N 2 1 341.544 1.290 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000269285956 443266655 /nfs/dbraw/zinc/26/66/55/443266655.db2.gz IGYKVTCJZBMNSQ-QFBILLFUSA-N 2 1 330.476 1.313 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NCc1cccnc1 ZINC000191482944 443300641 /nfs/dbraw/zinc/30/06/41/443300641.db2.gz IPJCKIFOHYSIQE-UHFFFAOYSA-N 2 1 329.448 1.869 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NCc1cccnc1 ZINC000191482944 443300644 /nfs/dbraw/zinc/30/06/44/443300644.db2.gz IPJCKIFOHYSIQE-UHFFFAOYSA-N 2 1 329.448 1.869 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000416852353 319466471 /nfs/dbraw/zinc/46/64/71/319466471.db2.gz MOGQEOQSJNGKNO-DOMZBBRYSA-N 2 1 340.855 1.230 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000416934400 319478007 /nfs/dbraw/zinc/47/80/07/319478007.db2.gz DLZIUTCMNVTBOZ-ROUUACIJSA-N 2 1 348.491 1.733 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000416942822 319480952 /nfs/dbraw/zinc/48/09/52/319480952.db2.gz SKEDWZNPFYRICR-ARFHVFGLSA-N 2 1 326.485 1.112 20 0 EDADMP C[NH2+]CCCNC(=O)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000419043176 319546385 /nfs/dbraw/zinc/54/63/85/319546385.db2.gz QLEJRNIIRSCYTM-CYBMUJFWSA-N 2 1 343.431 1.084 20 0 EDADMP CC[C@](C)(O)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000282472023 443349572 /nfs/dbraw/zinc/34/95/72/443349572.db2.gz KUMSZQMOTPSFHT-FQEVSTJZSA-N 2 1 347.503 1.814 20 0 EDADMP CC[C@](C)(O)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000282472023 443349574 /nfs/dbraw/zinc/34/95/74/443349574.db2.gz KUMSZQMOTPSFHT-FQEVSTJZSA-N 2 1 347.503 1.814 20 0 EDADMP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264679815 443371151 /nfs/dbraw/zinc/37/11/51/443371151.db2.gz OCRJUVVQJYUXNV-FUHWJXTLSA-N 2 1 330.476 1.043 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264679815 443371155 /nfs/dbraw/zinc/37/11/55/443371155.db2.gz OCRJUVVQJYUXNV-FUHWJXTLSA-N 2 1 330.476 1.043 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000271145518 443493064 /nfs/dbraw/zinc/49/30/64/443493064.db2.gz TURLXYMJNUCZMZ-PKOBYXMFSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423448010 319776849 /nfs/dbraw/zinc/77/68/49/319776849.db2.gz POQFRZPEJCWIOD-RDBSUJKOSA-N 2 1 341.477 1.094 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423606959 319791480 /nfs/dbraw/zinc/79/14/80/319791480.db2.gz IZEHBBNVUVQBBT-MRXNPFEDSA-N 2 1 347.507 1.527 20 0 EDADMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C12CCC[NH+]1CCC2 ZINC000279368393 443565988 /nfs/dbraw/zinc/56/59/88/443565988.db2.gz LHARLKKNIAYSSR-GOSISDBHSA-N 2 1 343.471 1.150 20 0 EDADMP COCC[N@H+](C)CCC[NH2+][C@H](CN1CCOCC1)c1ccccc1C ZINC000273161378 443553475 /nfs/dbraw/zinc/55/34/75/443553475.db2.gz KLVQQWQWKSKPLJ-HXUWFJFHSA-N 2 1 349.519 1.926 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+][C@H](CN1CCOCC1)c1ccccc1C ZINC000273161378 443553479 /nfs/dbraw/zinc/55/34/79/443553479.db2.gz KLVQQWQWKSKPLJ-HXUWFJFHSA-N 2 1 349.519 1.926 20 0 EDADMP CN1CCN(C(=O)CC[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000283326182 443602335 /nfs/dbraw/zinc/60/23/35/443602335.db2.gz ZZDYLGDXPXHADE-QGZVFWFLSA-N 2 1 333.451 1.854 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000283326182 443602337 /nfs/dbraw/zinc/60/23/37/443602337.db2.gz ZZDYLGDXPXHADE-QGZVFWFLSA-N 2 1 333.451 1.854 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000283326182 443602339 /nfs/dbraw/zinc/60/23/39/443602339.db2.gz ZZDYLGDXPXHADE-QGZVFWFLSA-N 2 1 333.451 1.854 20 0 EDADMP C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C1=CC[N@@H+](C)CC1 ZINC000276239352 443674333 /nfs/dbraw/zinc/67/43/33/443674333.db2.gz YGDDJBQTKCWYHV-AWEZNQCLSA-N 2 1 344.459 1.453 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)[NH+]1CCCC[C@H]1C ZINC000457725712 320333595 /nfs/dbraw/zinc/33/35/95/320333595.db2.gz ZJIAOAVRGCARGS-IXDOHACOSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCCC[NH+]1CCO)[N@@H+]1CCCC[C@H]1C ZINC000457725712 320333596 /nfs/dbraw/zinc/33/35/96/320333596.db2.gz ZJIAOAVRGCARGS-IXDOHACOSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCCC[NH+]1CCO)[N@H+]1CCCC[C@H]1C ZINC000457725712 320333597 /nfs/dbraw/zinc/33/35/97/320333597.db2.gz ZJIAOAVRGCARGS-IXDOHACOSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000457747955 320334914 /nfs/dbraw/zinc/33/49/14/320334914.db2.gz UNOLNAZTRDYPEQ-IRXDYDNUSA-N 2 1 340.512 1.207 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000457747955 320334915 /nfs/dbraw/zinc/33/49/15/320334915.db2.gz UNOLNAZTRDYPEQ-IRXDYDNUSA-N 2 1 340.512 1.207 20 0 EDADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)C1 ZINC000457747955 320334916 /nfs/dbraw/zinc/33/49/16/320334916.db2.gz UNOLNAZTRDYPEQ-IRXDYDNUSA-N 2 1 340.512 1.207 20 0 EDADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)C1 ZINC000457747955 320334917 /nfs/dbraw/zinc/33/49/17/320334917.db2.gz UNOLNAZTRDYPEQ-IRXDYDNUSA-N 2 1 340.512 1.207 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000459273667 320345477 /nfs/dbraw/zinc/34/54/77/320345477.db2.gz YMBLUVJMWRTYPE-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000459273667 320345478 /nfs/dbraw/zinc/34/54/78/320345478.db2.gz YMBLUVJMWRTYPE-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000459273667 320345479 /nfs/dbraw/zinc/34/54/79/320345479.db2.gz YMBLUVJMWRTYPE-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000459273667 320345480 /nfs/dbraw/zinc/34/54/80/320345480.db2.gz YMBLUVJMWRTYPE-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000459330510 320347020 /nfs/dbraw/zinc/34/70/20/320347020.db2.gz ZMHVUVLMDQNSEH-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000459330510 320347021 /nfs/dbraw/zinc/34/70/21/320347021.db2.gz ZMHVUVLMDQNSEH-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000459330510 320347022 /nfs/dbraw/zinc/34/70/22/320347022.db2.gz ZMHVUVLMDQNSEH-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000459330510 320347023 /nfs/dbraw/zinc/34/70/23/320347023.db2.gz ZMHVUVLMDQNSEH-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000479370624 320355476 /nfs/dbraw/zinc/35/54/76/320355476.db2.gz DKSNVWMUYOASJK-ZACQAIPSSA-N 2 1 340.512 1.062 20 0 EDADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000281423649 443907838 /nfs/dbraw/zinc/90/78/38/443907838.db2.gz KPQFQBBCHYVGMZ-UHFFFAOYSA-N 2 1 344.459 1.515 20 0 EDADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000281423649 443907841 /nfs/dbraw/zinc/90/78/41/443907841.db2.gz KPQFQBBCHYVGMZ-UHFFFAOYSA-N 2 1 344.459 1.515 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)CC(=O)OCC ZINC000277394932 443976911 /nfs/dbraw/zinc/97/69/11/443976911.db2.gz ZDEHFRPOKUALBV-UHFFFAOYSA-N 2 1 338.452 1.179 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)CC(=O)OCC ZINC000277394932 443976915 /nfs/dbraw/zinc/97/69/15/443976915.db2.gz ZDEHFRPOKUALBV-UHFFFAOYSA-N 2 1 338.452 1.179 20 0 EDADMP C[C@H](CNC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000562987214 321085582 /nfs/dbraw/zinc/08/55/82/321085582.db2.gz QXJUMZSVMXJOEF-BDXSIMOUSA-N 2 1 327.513 1.167 20 0 EDADMP C[C@H](CNC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000562987214 321085583 /nfs/dbraw/zinc/08/55/83/321085583.db2.gz QXJUMZSVMXJOEF-BDXSIMOUSA-N 2 1 327.513 1.167 20 0 EDADMP CC[C@H](CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)OC ZINC000563394581 321108034 /nfs/dbraw/zinc/10/80/34/321108034.db2.gz LICFZRKLICMAHO-QGZVFWFLSA-N 2 1 325.497 1.724 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)C1 ZINC000564929313 321158233 /nfs/dbraw/zinc/15/82/33/321158233.db2.gz NKLXXWOWXUKELJ-KJWYOANISA-N 2 1 347.459 1.611 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC3(O)CCC3)CC2)CC1 ZINC000568219910 321282074 /nfs/dbraw/zinc/28/20/74/321282074.db2.gz CDWUARFJAARMLP-UHFFFAOYSA-N 2 1 337.508 1.604 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC=C(COC)CC3)CC2)CC1 ZINC000568291223 321286461 /nfs/dbraw/zinc/28/64/61/321286461.db2.gz CLOCTYFUQVDJIG-UHFFFAOYSA-N 2 1 349.519 1.988 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000568608218 321298952 /nfs/dbraw/zinc/29/89/52/321298952.db2.gz UKCGTAFLRAVZKW-QRQLOZEOSA-N 2 1 344.503 1.848 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569007450 321315131 /nfs/dbraw/zinc/31/51/31/321315131.db2.gz KBWYLHCSQSLNJT-XKGZKEIXSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569007450 321315133 /nfs/dbraw/zinc/31/51/33/321315133.db2.gz KBWYLHCSQSLNJT-XKGZKEIXSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C[NH+]1CCCC1 ZINC000569085535 321317775 /nfs/dbraw/zinc/31/77/75/321317775.db2.gz YRCXUCPJCYZLJY-RDJZCZTQSA-N 2 1 331.464 1.469 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+](C)C2CCCCC2)[C@@H](C)C[N@H+]1CCO ZINC000570616759 321350027 /nfs/dbraw/zinc/35/00/27/321350027.db2.gz HKEBMVUXHZKKAO-CVEARBPZSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H](C)C[NH+]1CCO ZINC000570616759 321350028 /nfs/dbraw/zinc/35/00/28/321350028.db2.gz HKEBMVUXHZKKAO-CVEARBPZSA-N 2 1 325.497 1.555 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000571198491 321375977 /nfs/dbraw/zinc/37/59/77/321375977.db2.gz MMGQZBDXNYAONZ-WMLDXEAASA-N 2 1 349.475 1.327 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000571198491 321375978 /nfs/dbraw/zinc/37/59/78/321375978.db2.gz MMGQZBDXNYAONZ-WMLDXEAASA-N 2 1 349.475 1.327 20 0 EDADMP C[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571506599 321388950 /nfs/dbraw/zinc/38/89/50/321388950.db2.gz PEBNBFXPTNEEAU-GDBMZVCRSA-N 2 1 334.464 1.312 20 0 EDADMP C[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571506599 321388952 /nfs/dbraw/zinc/38/89/52/321388952.db2.gz PEBNBFXPTNEEAU-GDBMZVCRSA-N 2 1 334.464 1.312 20 0 EDADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC000289417402 444137292 /nfs/dbraw/zinc/13/72/92/444137292.db2.gz MIXRSFKNTOIVCM-QGZVFWFLSA-N 2 1 330.476 1.902 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC000289417402 444137295 /nfs/dbraw/zinc/13/72/95/444137295.db2.gz MIXRSFKNTOIVCM-QGZVFWFLSA-N 2 1 330.476 1.902 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C(N)=O)cc1 ZINC000289447046 444146385 /nfs/dbraw/zinc/14/63/85/444146385.db2.gz MRRPMCOSRUQJDN-GOSISDBHSA-N 2 1 332.492 1.633 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCSC1 ZINC000294822898 444146847 /nfs/dbraw/zinc/14/68/47/444146847.db2.gz CSHFQNNXEFBPIB-MRXNPFEDSA-N 2 1 331.445 1.434 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000289885320 444215139 /nfs/dbraw/zinc/21/51/39/444215139.db2.gz STXSXSMQTWNUEP-RBUKOAKNSA-N 2 1 342.487 1.116 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000289570104 444174147 /nfs/dbraw/zinc/17/41/47/444174147.db2.gz AWAWMGOMQYHWNO-VQIMIIECSA-N 2 1 343.475 1.661 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000289570104 444174149 /nfs/dbraw/zinc/17/41/49/444174149.db2.gz AWAWMGOMQYHWNO-VQIMIIECSA-N 2 1 343.475 1.661 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)C1CC1 ZINC000289788504 444203552 /nfs/dbraw/zinc/20/35/52/444203552.db2.gz LMZRNTNWUZVRIY-SFHVURJKSA-N 2 1 331.460 1.792 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)C1CC1 ZINC000289788504 444203554 /nfs/dbraw/zinc/20/35/54/444203554.db2.gz LMZRNTNWUZVRIY-SFHVURJKSA-N 2 1 331.460 1.792 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc(N3CCSCC3)ncn2)C1 ZINC000302828088 444226255 /nfs/dbraw/zinc/22/62/55/444226255.db2.gz IIWTXMOJJDTEGS-CABCVRRESA-N 2 1 333.505 1.950 20 0 EDADMP COc1ccc([C@H](C)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1O ZINC000289997017 444228450 /nfs/dbraw/zinc/22/84/50/444228450.db2.gz YSWPAPQLGKMONU-GOEBONIOSA-N 2 1 349.475 1.994 20 0 EDADMP COc1ccc([C@H](C)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1O ZINC000289997017 444228452 /nfs/dbraw/zinc/22/84/52/444228452.db2.gz YSWPAPQLGKMONU-GOEBONIOSA-N 2 1 349.475 1.994 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCCN(c3ccccc3)CC2)CC1 ZINC000302932782 444231741 /nfs/dbraw/zinc/23/17/41/444231741.db2.gz DTBVCRZASKUTNQ-SFHVURJKSA-N 2 1 344.503 1.751 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000290079371 444239133 /nfs/dbraw/zinc/23/91/33/444239133.db2.gz VYPCCTYRYFBJQN-IPELMVKDSA-N 2 1 345.487 1.912 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000290079371 444239134 /nfs/dbraw/zinc/23/91/34/444239134.db2.gz VYPCCTYRYFBJQN-IPELMVKDSA-N 2 1 345.487 1.912 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000577606424 321666678 /nfs/dbraw/zinc/66/66/78/321666678.db2.gz IZPJJKUQMFKTFR-BBWFWOEESA-N 2 1 338.496 1.400 20 0 EDADMP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000324949922 444360716 /nfs/dbraw/zinc/36/07/16/444360716.db2.gz GOMQLDFMCRQPDW-CVEARBPZSA-N 2 1 340.512 1.104 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[N@@H+]1C ZINC000340255525 444374491 /nfs/dbraw/zinc/37/44/91/444374491.db2.gz HCPNCSDACMERSX-IFIJOSMWSA-N 2 1 337.489 1.784 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[N@H+]1C ZINC000340255525 444374492 /nfs/dbraw/zinc/37/44/92/444374492.db2.gz HCPNCSDACMERSX-IFIJOSMWSA-N 2 1 337.489 1.784 20 0 EDADMP CC(C)[N@H+](C)CCN[C@H](C)Cn1cc(Br)ccc1=O ZINC000340473648 444392398 /nfs/dbraw/zinc/39/23/98/444392398.db2.gz JTWFSPZYJNQUMG-GFCCVEGCSA-N 2 1 330.270 1.929 20 0 EDADMP CC(C)[N@@H+](C)CCN[C@H](C)Cn1cc(Br)ccc1=O ZINC000340473648 444392399 /nfs/dbraw/zinc/39/23/99/444392399.db2.gz JTWFSPZYJNQUMG-GFCCVEGCSA-N 2 1 330.270 1.929 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331212403 444446331 /nfs/dbraw/zinc/44/63/31/444446331.db2.gz ZPNNVCLVFNKKBE-OAHLLOKOSA-N 2 1 339.505 1.901 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000338047535 444498299 /nfs/dbraw/zinc/49/82/99/444498299.db2.gz QUPMDOZQKAYKQN-UHFFFAOYSA-N 2 1 338.540 1.594 20 0 EDADMP C[C@@H](Cc1cnn(C)c1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000580877663 322106441 /nfs/dbraw/zinc/10/64/41/322106441.db2.gz GRYCJUDDKNTCIT-AWEZNQCLSA-N 2 1 342.447 1.384 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000581020452 322125636 /nfs/dbraw/zinc/12/56/36/322125636.db2.gz JWFBPOIPEKYGAM-MRXNPFEDSA-N 2 1 330.476 1.714 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000581365032 322168595 /nfs/dbraw/zinc/16/85/95/322168595.db2.gz AGLMEDBVWDJFKL-SJORKVTESA-N 2 1 328.497 1.501 20 0 EDADMP CC(C)[NH2+]CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000581381594 322171489 /nfs/dbraw/zinc/17/14/89/322171489.db2.gz NPJARAAXFUSPQM-HNNXBMFYSA-N 2 1 332.448 1.320 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[NH2+]1 ZINC000581596967 322196575 /nfs/dbraw/zinc/19/65/75/322196575.db2.gz PBTOENGYSMGWQG-YJBOKZPZSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000343761787 444571887 /nfs/dbraw/zinc/57/18/87/444571887.db2.gz HZPXOQIXLXGYFB-OLMNPRSZSA-N 2 1 331.460 1.635 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000343761787 444571893 /nfs/dbraw/zinc/57/18/93/444571893.db2.gz HZPXOQIXLXGYFB-OLMNPRSZSA-N 2 1 331.460 1.635 20 0 EDADMP COc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(C)c1OC ZINC000342232616 444579331 /nfs/dbraw/zinc/57/93/31/444579331.db2.gz NVVCFOXVIATENL-UHFFFAOYSA-N 2 1 335.448 1.266 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1C ZINC000340956077 444596340 /nfs/dbraw/zinc/59/63/40/444596340.db2.gz QXJNGHMSAKGWDG-DOTOQJQBSA-N 2 1 348.491 1.909 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000332934926 444602700 /nfs/dbraw/zinc/60/27/00/444602700.db2.gz HIMQIZLVWSRGTP-NHYWBVRUSA-N 2 1 342.447 1.435 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000332934926 444602701 /nfs/dbraw/zinc/60/27/01/444602701.db2.gz HIMQIZLVWSRGTP-NHYWBVRUSA-N 2 1 342.447 1.435 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000332947558 444607080 /nfs/dbraw/zinc/60/70/80/444607080.db2.gz SAWCUEWISHIKBR-WFASDCNBSA-N 2 1 344.463 1.681 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000332947558 444607085 /nfs/dbraw/zinc/60/70/85/444607085.db2.gz SAWCUEWISHIKBR-WFASDCNBSA-N 2 1 344.463 1.681 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C[N@H+]1Cc1ccccc1 ZINC000343819583 444609423 /nfs/dbraw/zinc/60/94/23/444609423.db2.gz JKGWSNPXRJKLKN-QRQLOZEOSA-N 2 1 342.487 1.156 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C[NH+]1Cc1ccccc1 ZINC000343819583 444609427 /nfs/dbraw/zinc/60/94/27/444609427.db2.gz JKGWSNPXRJKLKN-QRQLOZEOSA-N 2 1 342.487 1.156 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C[NH+]1Cc1ccccc1 ZINC000343819583 444609431 /nfs/dbraw/zinc/60/94/31/444609431.db2.gz JKGWSNPXRJKLKN-QRQLOZEOSA-N 2 1 342.487 1.156 20 0 EDADMP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000343831563 444616684 /nfs/dbraw/zinc/61/66/84/444616684.db2.gz YDPYPWCHYBLOSJ-WSTZPKSXSA-N 2 1 346.471 1.897 20 0 EDADMP COC(=O)[C@](C)(O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000343831563 444616687 /nfs/dbraw/zinc/61/66/87/444616687.db2.gz YDPYPWCHYBLOSJ-WSTZPKSXSA-N 2 1 346.471 1.897 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000343831563 444616689 /nfs/dbraw/zinc/61/66/89/444616689.db2.gz YDPYPWCHYBLOSJ-WSTZPKSXSA-N 2 1 346.471 1.897 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000343831563 444616691 /nfs/dbraw/zinc/61/66/91/444616691.db2.gz YDPYPWCHYBLOSJ-WSTZPKSXSA-N 2 1 346.471 1.897 20 0 EDADMP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343896190 444652496 /nfs/dbraw/zinc/65/24/96/444652496.db2.gz WSUUHJYKTIMKDD-ZFWWWQNUSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343896190 444652501 /nfs/dbraw/zinc/65/25/01/444652501.db2.gz WSUUHJYKTIMKDD-ZFWWWQNUSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@@H]1CCCN1C(=O)CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343919647 444668550 /nfs/dbraw/zinc/66/85/50/444668550.db2.gz GXELZUDWBDMLJE-KZNAEPCWSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343919843 444669698 /nfs/dbraw/zinc/66/96/98/444669698.db2.gz IDFLXYCQGFHSEQ-MAUKXSAKSA-N 2 1 334.508 1.288 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000333440287 444671214 /nfs/dbraw/zinc/67/12/14/444671214.db2.gz VZKJZMRUPMQYPC-LBZRDPAVSA-N 2 1 334.508 1.922 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000333466930 444673648 /nfs/dbraw/zinc/67/36/48/444673648.db2.gz ACACAXNPXMQJFX-RFZNHBKKSA-N 2 1 342.487 1.886 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341112837 444680226 /nfs/dbraw/zinc/68/02/26/444680226.db2.gz CANVZADKIOZKLD-HZPDHXFCSA-N 2 1 328.501 1.517 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCO1 ZINC000341021312 444636474 /nfs/dbraw/zinc/63/64/74/444636474.db2.gz SUQNUEARYRYIGV-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343885507 444646009 /nfs/dbraw/zinc/64/60/09/444646009.db2.gz HCKAXDKCGIOHBC-CRAIPNDOSA-N 2 1 342.491 1.426 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343885507 444646013 /nfs/dbraw/zinc/64/60/13/444646013.db2.gz HCKAXDKCGIOHBC-CRAIPNDOSA-N 2 1 342.491 1.426 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CCCC[NH2+]C2)CCC[N@H+]1C ZINC000333828961 444701494 /nfs/dbraw/zinc/70/14/94/444701494.db2.gz SMDJDYRTXDQCMH-ZMSDIMECSA-N 2 1 348.495 1.244 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000333903724 444713758 /nfs/dbraw/zinc/71/37/58/444713758.db2.gz CBDUPRQAIGSTLF-HCXYKTFWSA-N 2 1 342.487 1.997 20 0 EDADMP COC(=O)COc1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000341124265 444685409 /nfs/dbraw/zinc/68/54/09/444685409.db2.gz ASCYVDAOGKBZMM-KRWDZBQOSA-N 2 1 348.443 1.393 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000333794073 444698178 /nfs/dbraw/zinc/69/81/78/444698178.db2.gz YHTSKJPBZSYESB-MAUKXSAKSA-N 2 1 333.480 1.955 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000333794073 444698183 /nfs/dbraw/zinc/69/81/83/444698183.db2.gz YHTSKJPBZSYESB-MAUKXSAKSA-N 2 1 333.480 1.955 20 0 EDADMP Cc1nc(CN2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)oc1C ZINC000342549509 444740477 /nfs/dbraw/zinc/74/04/77/444740477.db2.gz WFSMBROGYNHIKH-CXAGYDPISA-N 2 1 348.491 1.817 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)oc1C ZINC000342549509 444740480 /nfs/dbraw/zinc/74/04/80/444740480.db2.gz WFSMBROGYNHIKH-CXAGYDPISA-N 2 1 348.491 1.817 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)oc1C ZINC000342549509 444740484 /nfs/dbraw/zinc/74/04/84/444740484.db2.gz WFSMBROGYNHIKH-CXAGYDPISA-N 2 1 348.491 1.817 20 0 EDADMP COC(=O)[C@](C)(O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336719744 444796219 /nfs/dbraw/zinc/79/62/19/444796219.db2.gz RTWBHQMOHHFQTK-JENIJYKNSA-N 2 1 332.444 1.364 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336719744 444796225 /nfs/dbraw/zinc/79/62/25/444796225.db2.gz RTWBHQMOHHFQTK-JENIJYKNSA-N 2 1 332.444 1.364 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336719744 444796229 /nfs/dbraw/zinc/79/62/29/444796229.db2.gz RTWBHQMOHHFQTK-JENIJYKNSA-N 2 1 332.444 1.364 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000341503465 444865686 /nfs/dbraw/zinc/86/56/86/444865686.db2.gz COYZITWDYRDBLJ-PVAVHDDUSA-N 2 1 325.497 1.437 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000341503465 444865688 /nfs/dbraw/zinc/86/56/88/444865688.db2.gz COYZITWDYRDBLJ-PVAVHDDUSA-N 2 1 325.497 1.437 20 0 EDADMP COc1ccc([C@@H]2C[C@H]2[C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000342713103 444828806 /nfs/dbraw/zinc/82/88/06/444828806.db2.gz RKBWCUKBBZCYTB-SNRMKQJTSA-N 2 1 345.487 1.941 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)C[C@H](C)O1 ZINC000344296912 444886026 /nfs/dbraw/zinc/88/60/26/444886026.db2.gz RIGYRAWRFTVJDH-XUWVNRHRSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)C[C@H](C)O1 ZINC000344296912 444886030 /nfs/dbraw/zinc/88/60/30/444886030.db2.gz RIGYRAWRFTVJDH-XUWVNRHRSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C[C@H](C)O1 ZINC000344296912 444886035 /nfs/dbraw/zinc/88/60/35/444886035.db2.gz RIGYRAWRFTVJDH-XUWVNRHRSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@H](C)O1 ZINC000344296912 444886039 /nfs/dbraw/zinc/88/60/39/444886039.db2.gz RIGYRAWRFTVJDH-XUWVNRHRSA-N 2 1 340.512 1.656 20 0 EDADMP COC[C@@H]1C[C@@H](OC)C[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000344374306 444927968 /nfs/dbraw/zinc/92/79/68/444927968.db2.gz UQFLNUNQZMYART-KSZLIROESA-N 2 1 349.475 1.141 20 0 EDADMP COC[C@@H]1C[C@@H](OC)C[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000344374306 444927971 /nfs/dbraw/zinc/92/79/71/444927971.db2.gz UQFLNUNQZMYART-KSZLIROESA-N 2 1 349.475 1.141 20 0 EDADMP CC(C)COC[C@H](O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338939492 444945081 /nfs/dbraw/zinc/94/50/81/444945081.db2.gz CNUIWWIEOGVOES-ZIFCJYIRSA-N 2 1 342.524 1.841 20 0 EDADMP COC(=O)[C@@H](C)C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000338939721 444945898 /nfs/dbraw/zinc/94/58/98/444945898.db2.gz OXUKCEQKZTZIRL-ZDUSSCGKSA-N 2 1 337.464 1.003 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)Cc2cn(-c3cc[nH+]cc3)nc2C)[N@@H+](C)C1 ZINC000344508766 445022425 /nfs/dbraw/zinc/02/24/25/445022425.db2.gz ZDJGYCJTLPBURX-ZWKOTPCHSA-N 2 1 329.448 1.727 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000337317044 445030941 /nfs/dbraw/zinc/03/09/41/445030941.db2.gz DXGSTZVLUWVJEQ-CVEARBPZSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000341772553 444994642 /nfs/dbraw/zinc/99/46/42/444994642.db2.gz XEOTUCDTTFXFND-IEBWSBKVSA-N 2 1 344.503 1.118 20 0 EDADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000337279422 445013642 /nfs/dbraw/zinc/01/36/42/445013642.db2.gz UEXIDOQLTTZHMH-OAHLLOKOSA-N 2 1 336.432 1.573 20 0 EDADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000337279422 445013645 /nfs/dbraw/zinc/01/36/45/445013645.db2.gz UEXIDOQLTTZHMH-OAHLLOKOSA-N 2 1 336.432 1.573 20 0 EDADMP O[C@]1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000339067290 445016877 /nfs/dbraw/zinc/01/68/77/445016877.db2.gz FYWSHHJMEZDIRV-ZCNNSNEGSA-N 2 1 329.488 1.840 20 0 EDADMP O[C@]1(CN[C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000339067290 445016880 /nfs/dbraw/zinc/01/68/80/445016880.db2.gz FYWSHHJMEZDIRV-ZCNNSNEGSA-N 2 1 329.488 1.840 20 0 EDADMP O[C@]1(CN[C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000339067290 445016885 /nfs/dbraw/zinc/01/68/85/445016885.db2.gz FYWSHHJMEZDIRV-ZCNNSNEGSA-N 2 1 329.488 1.840 20 0 EDADMP O=C(c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1)N1CCOCC1 ZINC000339066845 445017060 /nfs/dbraw/zinc/01/70/60/445017060.db2.gz KZFWUKBCNHUBFM-OALUTQOASA-N 2 1 343.471 1.875 20 0 EDADMP O=C(c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1)N1CCOCC1 ZINC000339066845 445017063 /nfs/dbraw/zinc/01/70/63/445017063.db2.gz KZFWUKBCNHUBFM-OALUTQOASA-N 2 1 343.471 1.875 20 0 EDADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CCN4CCOC[C@@H]4C3)C2)cc1 ZINC000341909945 445066634 /nfs/dbraw/zinc/06/66/34/445066634.db2.gz NBQUAVKQOIDBRA-PMACEKPBSA-N 2 1 345.487 1.294 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000344616501 445088116 /nfs/dbraw/zinc/08/81/16/445088116.db2.gz NKEGVLJSGXLFPZ-IAGOWNOFSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000344616501 445088120 /nfs/dbraw/zinc/08/81/20/445088120.db2.gz NKEGVLJSGXLFPZ-IAGOWNOFSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000344616501 445088123 /nfs/dbraw/zinc/08/81/23/445088123.db2.gz NKEGVLJSGXLFPZ-IAGOWNOFSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc(OC)c1 ZINC000337447385 445085540 /nfs/dbraw/zinc/08/55/40/445085540.db2.gz QVXICQZOFJVJKG-QGZVFWFLSA-N 2 1 348.491 1.887 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000337340276 445039538 /nfs/dbraw/zinc/03/95/38/445039538.db2.gz SOAPJNWKMPAGLI-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000337340276 445039540 /nfs/dbraw/zinc/03/95/40/445039540.db2.gz SOAPJNWKMPAGLI-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000337340276 445039542 /nfs/dbraw/zinc/03/95/42/445039542.db2.gz SOAPJNWKMPAGLI-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000339430339 445138520 /nfs/dbraw/zinc/13/85/20/445138520.db2.gz UUIIFKGNOBMUOZ-LJQANCHMSA-N 2 1 344.459 1.532 20 0 EDADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000339430339 445138524 /nfs/dbraw/zinc/13/85/24/445138524.db2.gz UUIIFKGNOBMUOZ-LJQANCHMSA-N 2 1 344.459 1.532 20 0 EDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000339430339 445138527 /nfs/dbraw/zinc/13/85/27/445138527.db2.gz UUIIFKGNOBMUOZ-LJQANCHMSA-N 2 1 344.459 1.532 20 0 EDADMP C[C@@H]1CN(CC[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000337483810 445100672 /nfs/dbraw/zinc/10/06/72/445100672.db2.gz XLVUMJRPBZXJNM-MISYRCLQSA-N 2 1 329.488 1.771 20 0 EDADMP CC[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc1ccccn1)C1CC1 ZINC000337516441 445115393 /nfs/dbraw/zinc/11/53/93/445115393.db2.gz QIYTXICXSAMAOW-UHFFFAOYSA-N 2 1 333.480 1.639 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000342097208 445170667 /nfs/dbraw/zinc/17/06/67/445170667.db2.gz SLJDCEVGMGCZKH-MAUKXSAKSA-N 2 1 330.476 1.570 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342116763 445181220 /nfs/dbraw/zinc/18/12/20/445181220.db2.gz YQXFDBIRBSEJDZ-NUEKZKHPSA-N 2 1 330.432 1.173 20 0 EDADMP C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)COCC1CCOCC1 ZINC000343248521 445159420 /nfs/dbraw/zinc/15/94/20/445159420.db2.gz IAMYLJBQLOQTAT-KURKYZTESA-N 2 1 326.481 1.566 20 0 EDADMP Cc1cccc(OCCCNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342079961 445160336 /nfs/dbraw/zinc/16/03/36/445160336.db2.gz FKTDUTLEHAMLKL-UHOSZYNNSA-N 2 1 345.487 1.939 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000346162628 445206838 /nfs/dbraw/zinc/20/68/38/445206838.db2.gz ZMOHXBMQXNXYGU-LJQANCHMSA-N 2 1 341.459 1.872 20 0 EDADMP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000343407668 445216993 /nfs/dbraw/zinc/21/69/93/445216993.db2.gz PTVVCKCANMKBJI-PKOBYXMFSA-N 2 1 349.523 1.361 20 0 EDADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000337671881 445195388 /nfs/dbraw/zinc/19/53/88/445195388.db2.gz DKZNASLBTLMXAE-IAGOWNOFSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@@H](C)C1 ZINC000337671881 445195390 /nfs/dbraw/zinc/19/53/90/445195390.db2.gz DKZNASLBTLMXAE-IAGOWNOFSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000345765211 445198887 /nfs/dbraw/zinc/19/88/87/445198887.db2.gz YYZXYJTVFSYYJG-UXLLHSPISA-N 2 1 340.512 1.203 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000346704899 445224163 /nfs/dbraw/zinc/22/41/63/445224163.db2.gz ZKMYCUYWJVXOJD-IPMKNSEASA-N 2 1 345.487 1.829 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)[N@H+](C)C1 ZINC000346704899 445224165 /nfs/dbraw/zinc/22/41/65/445224165.db2.gz ZKMYCUYWJVXOJD-IPMKNSEASA-N 2 1 345.487 1.829 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)[N@@H+](C)C1 ZINC000346704899 445224166 /nfs/dbraw/zinc/22/41/66/445224166.db2.gz ZKMYCUYWJVXOJD-IPMKNSEASA-N 2 1 345.487 1.829 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+](C)Cc1ccccc1 ZINC000343581995 445250304 /nfs/dbraw/zinc/25/03/04/445250304.db2.gz QULPBJWJJFROHX-AEFFLSMTSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)[N@H+](C)Cc1ccccc1 ZINC000343581995 445250308 /nfs/dbraw/zinc/25/03/08/445250308.db2.gz QULPBJWJJFROHX-AEFFLSMTSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)[N@@H+](C)Cc1ccccc1 ZINC000343581995 445250310 /nfs/dbraw/zinc/25/03/10/445250310.db2.gz QULPBJWJJFROHX-AEFFLSMTSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+](C)Cc1ccccc1 ZINC000343582635 445251232 /nfs/dbraw/zinc/25/12/32/445251232.db2.gz QULPBJWJJFROHX-SJLPKXTDSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)[N@H+](C)Cc1ccccc1 ZINC000343582635 445251235 /nfs/dbraw/zinc/25/12/35/445251235.db2.gz QULPBJWJJFROHX-SJLPKXTDSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)[N@@H+](C)Cc1ccccc1 ZINC000343582635 445251238 /nfs/dbraw/zinc/25/12/38/445251238.db2.gz QULPBJWJJFROHX-SJLPKXTDSA-N 2 1 330.476 1.013 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)[N@@H+](C)C1 ZINC000347888140 445254081 /nfs/dbraw/zinc/25/40/81/445254081.db2.gz LZFNONVGBGEBGN-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H]([NH2+][C@@H]1COC[C@@H]1n1ccnn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348516170 445310668 /nfs/dbraw/zinc/31/06/68/445310668.db2.gz QANHKAZBLZYSDO-KANFNMMFSA-N 2 1 341.459 1.718 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1nccn1C ZINC000348122599 445279709 /nfs/dbraw/zinc/27/97/09/445279709.db2.gz RPHCYPRPFDAXDJ-DLBZAZTESA-N 2 1 348.470 1.860 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1nccn1C ZINC000348122599 445279712 /nfs/dbraw/zinc/27/97/12/445279712.db2.gz RPHCYPRPFDAXDJ-DLBZAZTESA-N 2 1 348.470 1.860 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000351866199 445348204 /nfs/dbraw/zinc/34/82/04/445348204.db2.gz RAWNWUFMMFTJOE-RDJZCZTQSA-N 2 1 341.459 1.217 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000351866199 445348205 /nfs/dbraw/zinc/34/82/05/445348205.db2.gz RAWNWUFMMFTJOE-RDJZCZTQSA-N 2 1 341.459 1.217 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000351898966 445361937 /nfs/dbraw/zinc/36/19/37/445361937.db2.gz LTOWHNABTPHFJT-SJORKVTESA-N 2 1 342.528 1.595 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC000351805408 445327304 /nfs/dbraw/zinc/32/73/04/445327304.db2.gz BXKMQCSXRXGVKD-QFBILLFUSA-N 2 1 345.487 1.388 20 0 EDADMP C[C@H](CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C[NH+](C)C ZINC000355730041 445475548 /nfs/dbraw/zinc/47/55/48/445475548.db2.gz HBICIYYRSXDVMU-AEFFLSMTSA-N 2 1 332.492 1.289 20 0 EDADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354933481 445435026 /nfs/dbraw/zinc/43/50/26/445435026.db2.gz GMFWJMFDADFTAH-QLFBSQMISA-N 2 1 347.442 1.334 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000355089725 445441997 /nfs/dbraw/zinc/44/19/97/445441997.db2.gz SBTITXUMEGKJKK-NUJGCVRESA-N 2 1 332.492 1.430 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)C2 ZINC000355251364 445451387 /nfs/dbraw/zinc/45/13/87/445451387.db2.gz CXPRRKSUKSHCEO-IAGOWNOFSA-N 2 1 330.476 1.944 20 0 EDADMP C[C@H](C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C1C[NH2+]C1 ZINC000357260402 445513554 /nfs/dbraw/zinc/51/35/54/445513554.db2.gz VWPNKQDVZNMKNT-XHSDSOJGSA-N 2 1 337.508 1.580 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000349045577 445486242 /nfs/dbraw/zinc/48/62/42/445486242.db2.gz FDQSYNHKKUVVKI-PXAZEXFGSA-N 2 1 326.400 1.545 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)ccn2)CC1 ZINC000352094597 445489193 /nfs/dbraw/zinc/48/91/93/445489193.db2.gz CXZKXEBRIHQVFZ-IAGOWNOFSA-N 2 1 343.475 1.190 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)c2ccco2)C1)C1CC1 ZINC000352116743 445504092 /nfs/dbraw/zinc/50/40/92/445504092.db2.gz ZPTRLLCJQOWCQG-GDBMZVCRSA-N 2 1 335.448 1.177 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)c2ccco2)C1)C1CC1 ZINC000352116743 445504094 /nfs/dbraw/zinc/50/40/94/445504094.db2.gz ZPTRLLCJQOWCQG-GDBMZVCRSA-N 2 1 335.448 1.177 20 0 EDADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1)C1CC1 ZINC000352116743 445504098 /nfs/dbraw/zinc/50/40/98/445504098.db2.gz ZPTRLLCJQOWCQG-GDBMZVCRSA-N 2 1 335.448 1.177 20 0 EDADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)c2ccco2)C1)C1CC1 ZINC000352116743 445504099 /nfs/dbraw/zinc/50/40/99/445504099.db2.gz ZPTRLLCJQOWCQG-GDBMZVCRSA-N 2 1 335.448 1.177 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(CO)c1 ZINC000362696317 445504441 /nfs/dbraw/zinc/50/44/41/445504441.db2.gz XYRZXMNILRCXPP-GOSISDBHSA-N 2 1 333.476 1.667 20 0 EDADMP CCCN(CC[NH+](CC)CC)C(=O)NCC[NH+]1CCSCC1 ZINC000360110672 445573077 /nfs/dbraw/zinc/57/30/77/445573077.db2.gz OCTCINBNJZPLTK-UHFFFAOYSA-N 2 1 330.542 1.799 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000357747518 445579450 /nfs/dbraw/zinc/57/94/50/445579450.db2.gz MDJASMLEXKZEMS-OAHLLOKOSA-N 2 1 342.528 1.904 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H](N2CCOCC2)[C@@H]1C ZINC000357760510 445580476 /nfs/dbraw/zinc/58/04/76/445580476.db2.gz LBMIXEHVXBXSKB-JYJNAYRXSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000357760510 445580479 /nfs/dbraw/zinc/58/04/79/445580479.db2.gz LBMIXEHVXBXSKB-JYJNAYRXSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000357760510 445580482 /nfs/dbraw/zinc/58/04/82/445580482.db2.gz LBMIXEHVXBXSKB-JYJNAYRXSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)CNC(=O)CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000362910185 445606878 /nfs/dbraw/zinc/60/68/78/445606878.db2.gz GEGJTUTXRYPNDV-IYBDPMFKSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)CNC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000362910185 445606885 /nfs/dbraw/zinc/60/68/85/445606885.db2.gz GEGJTUTXRYPNDV-IYBDPMFKSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360393424 445704931 /nfs/dbraw/zinc/70/49/31/445704931.db2.gz CCCGELUQMLXBFZ-HLLBOEOZSA-N 2 1 342.553 1.843 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000353698944 445714693 /nfs/dbraw/zinc/71/46/93/445714693.db2.gz ZTFBCWQQWZZETE-UHFFFAOYSA-N 2 1 335.452 1.262 20 0 EDADMP CCC(CC)(CNC(=O)[C@@H]([NH3+])CC(N)=O)[NH2+][C@H](C)c1ccccc1 ZINC000353707152 445718161 /nfs/dbraw/zinc/71/81/61/445718161.db2.gz MOTVPUKGHNZMOU-HIFRSBDPSA-N 2 1 334.464 1.215 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)CC(C)C ZINC000349760463 445670292 /nfs/dbraw/zinc/67/02/92/445670292.db2.gz XAMQVWXKOUUEQO-DLBZAZTESA-N 2 1 341.544 1.288 20 0 EDADMP C[N@@H+](CCCNC(=O)NC[C@]1(O)CC[NH+](C)C1)C1CCCCC1 ZINC000358698560 445724896 /nfs/dbraw/zinc/72/48/96/445724896.db2.gz XHCZJOGMWYLHPH-QGZVFWFLSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCCNC(=O)NC[C@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000358698560 445724900 /nfs/dbraw/zinc/72/49/00/445724900.db2.gz XHCZJOGMWYLHPH-QGZVFWFLSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000358698560 445724907 /nfs/dbraw/zinc/72/49/07/445724907.db2.gz XHCZJOGMWYLHPH-QGZVFWFLSA-N 2 1 326.485 1.007 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000360889367 445737736 /nfs/dbraw/zinc/73/77/36/445737736.db2.gz MSRHJNHJTQOHDE-ULQDDVLXSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000360889367 445737740 /nfs/dbraw/zinc/73/77/40/445737740.db2.gz MSRHJNHJTQOHDE-ULQDDVLXSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000360889367 445737745 /nfs/dbraw/zinc/73/77/45/445737745.db2.gz MSRHJNHJTQOHDE-ULQDDVLXSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000361094292 445748880 /nfs/dbraw/zinc/74/88/80/445748880.db2.gz FYWZZLGSDGVOHM-YGTYDBBMSA-N 2 1 337.508 1.625 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363302513 445758028 /nfs/dbraw/zinc/75/80/28/445758028.db2.gz JEFMMPOVSXOTBD-JKSUJKDBSA-N 2 1 343.537 1.119 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000353932568 445816925 /nfs/dbraw/zinc/81/69/25/445816925.db2.gz MXVZQVSPODPKTO-INIZCTEOSA-N 2 1 345.487 1.979 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCC(C)(C)O)CC2)C[C@H](C)O1 ZINC000358867980 445821149 /nfs/dbraw/zinc/82/11/49/445821149.db2.gz XXEVRSRRXIJLJC-IYBDPMFKSA-N 2 1 328.497 1.738 20 0 EDADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCC(C)(C)O)CC2)C[C@H](C)O1 ZINC000358867980 445821153 /nfs/dbraw/zinc/82/11/53/445821153.db2.gz XXEVRSRRXIJLJC-IYBDPMFKSA-N 2 1 328.497 1.738 20 0 EDADMP C[N@H+]1CCCN(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000350415707 445825667 /nfs/dbraw/zinc/82/56/67/445825667.db2.gz PRRZCFXBLZAMRF-GOSISDBHSA-N 2 1 330.476 1.856 20 0 EDADMP C[NH+]1CCCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000350415707 445825670 /nfs/dbraw/zinc/82/56/70/445825670.db2.gz PRRZCFXBLZAMRF-GOSISDBHSA-N 2 1 330.476 1.856 20 0 EDADMP C[NH+]1CCCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000350415707 445825674 /nfs/dbraw/zinc/82/56/74/445825674.db2.gz PRRZCFXBLZAMRF-GOSISDBHSA-N 2 1 330.476 1.856 20 0 EDADMP CC[C@H](C(=O)NCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000363496326 445831679 /nfs/dbraw/zinc/83/16/79/445831679.db2.gz OMQWHRWIWYXZIR-QZTJIDSGSA-N 2 1 332.492 1.432 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000361502828 445791835 /nfs/dbraw/zinc/79/18/35/445791835.db2.gz YSSKDENBVSPOST-IRXDYDNUSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000361502828 445791837 /nfs/dbraw/zinc/79/18/37/445791837.db2.gz YSSKDENBVSPOST-IRXDYDNUSA-N 2 1 337.508 1.726 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1CN1C(=O)N[C@H](Cc2cnc[nH]2)C1=O ZINC000358999197 445880703 /nfs/dbraw/zinc/88/07/03/445880703.db2.gz UJTGEWVVAFYOSO-HUUCEWRRSA-N 2 1 333.436 1.527 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CN1C(=O)N[C@H](Cc2cnc[nH]2)C1=O ZINC000358999197 445880704 /nfs/dbraw/zinc/88/07/04/445880704.db2.gz UJTGEWVVAFYOSO-HUUCEWRRSA-N 2 1 333.436 1.527 20 0 EDADMP [NH3+]Cc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)ccn1 ZINC000361610019 445846636 /nfs/dbraw/zinc/84/66/36/445846636.db2.gz LDBPEQTXUZHWRH-UHFFFAOYSA-N 2 1 332.448 1.305 20 0 EDADMP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000354021921 445858979 /nfs/dbraw/zinc/85/89/79/445858979.db2.gz ZQTSTEPIJHFLPM-PKOBYXMFSA-N 2 1 344.503 1.528 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000354021921 445858981 /nfs/dbraw/zinc/85/89/81/445858981.db2.gz ZQTSTEPIJHFLPM-PKOBYXMFSA-N 2 1 344.503 1.528 20 0 EDADMP C[C@@H](C(=O)NC1(CCO)CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000354142648 445939552 /nfs/dbraw/zinc/93/95/52/445939552.db2.gz JDECXFCUONHMMJ-INIZCTEOSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](C(=O)NC1(CCO)CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000354142648 445939557 /nfs/dbraw/zinc/93/95/57/445939557.db2.gz JDECXFCUONHMMJ-INIZCTEOSA-N 2 1 345.487 1.396 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000361782674 445940739 /nfs/dbraw/zinc/94/07/39/445940739.db2.gz AVOKCYHOMMVLDP-UHFFFAOYSA-N 2 1 340.537 1.741 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000354078279 445889846 /nfs/dbraw/zinc/88/98/46/445889846.db2.gz POLOAXSSOJBUHB-AWEZNQCLSA-N 2 1 325.478 1.780 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc3c(c2)nnn3C)C1 ZINC000354087599 445893936 /nfs/dbraw/zinc/89/39/36/445893936.db2.gz CYKHJKSQRTWOTR-INIZCTEOSA-N 2 1 331.464 1.901 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000350744966 445894879 /nfs/dbraw/zinc/89/48/79/445894879.db2.gz DIYDQXVAKBLIKU-PMPSAXMXSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[NH+](CC(C)(C)O)CC1 ZINC000364644241 445942140 /nfs/dbraw/zinc/94/21/40/445942140.db2.gz ZHKUNEUPFZSQPB-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364644241 445942145 /nfs/dbraw/zinc/94/21/45/445942145.db2.gz ZHKUNEUPFZSQPB-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000364644241 445942149 /nfs/dbraw/zinc/94/21/49/445942149.db2.gz ZHKUNEUPFZSQPB-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CCN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000372908276 445915576 /nfs/dbraw/zinc/91/55/76/445915576.db2.gz SQOZZLMMHVMFGR-BPQIPLTHSA-N 2 1 331.460 1.659 20 0 EDADMP CN(C[C@H]1CC2(CC2)C(=O)O1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000373010110 445972913 /nfs/dbraw/zinc/97/29/13/445972913.db2.gz BGPQXXNLXIKBIA-XLIONFOSSA-N 2 1 344.455 1.651 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C[C@@H](C)[NH+]1CCO ZINC000365106632 446028134 /nfs/dbraw/zinc/02/81/34/446028134.db2.gz DVDHZKURCFXWLP-OAGGEKHMSA-N 2 1 338.496 1.100 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000359181645 446005995 /nfs/dbraw/zinc/00/59/95/446005995.db2.gz USRXQXVUBVWCOA-UHFFFAOYSA-N 2 1 346.431 1.607 20 0 EDADMP CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000351213383 446009291 /nfs/dbraw/zinc/00/92/91/446009291.db2.gz KCOOOWFCZZNPOP-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000351213383 446009296 /nfs/dbraw/zinc/00/92/96/446009296.db2.gz KCOOOWFCZZNPOP-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)C2 ZINC000365083333 446013319 /nfs/dbraw/zinc/01/33/19/446013319.db2.gz SUYGQTKBTSLJQF-SWLSCSKDSA-N 2 1 341.415 1.222 20 0 EDADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000583385645 326063684 /nfs/dbraw/zinc/06/36/84/326063684.db2.gz OUIFYVSDEDTMPA-OIISXLGYSA-N 2 1 343.537 1.653 20 0 EDADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000584005588 326183171 /nfs/dbraw/zinc/18/31/71/326183171.db2.gz ZCKWEEHRSNDDNU-HZPDHXFCSA-N 2 1 325.416 1.129 20 0 EDADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000584005588 326183173 /nfs/dbraw/zinc/18/31/73/326183173.db2.gz ZCKWEEHRSNDDNU-HZPDHXFCSA-N 2 1 325.416 1.129 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)c1 ZINC000584043108 326188670 /nfs/dbraw/zinc/18/86/70/326188670.db2.gz AIYOSEDIUUUOHP-GOSISDBHSA-N 2 1 346.475 1.201 20 0 EDADMP C[C@@H](CC(=O)NC1CCC([NH+]2CCNCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000584112368 326202162 /nfs/dbraw/zinc/20/21/62/326202162.db2.gz HOHWPHMAWOGQBK-KNXWPPODSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584230167 326224966 /nfs/dbraw/zinc/22/49/66/326224966.db2.gz OMIFVHSGGMZOLY-VDZJLULYSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584230167 326224969 /nfs/dbraw/zinc/22/49/69/326224969.db2.gz OMIFVHSGGMZOLY-VDZJLULYSA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000359249140 446082744 /nfs/dbraw/zinc/08/27/44/446082744.db2.gz IMOCEGFCSHACCR-GJZGRUSLSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000359249140 446082749 /nfs/dbraw/zinc/08/27/49/446082749.db2.gz IMOCEGFCSHACCR-GJZGRUSLSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000359249140 446082755 /nfs/dbraw/zinc/08/27/55/446082755.db2.gz IMOCEGFCSHACCR-GJZGRUSLSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1C ZINC000369654233 446139809 /nfs/dbraw/zinc/13/98/09/446139809.db2.gz KRBVPULYFIJLGX-HOCLYGCPSA-N 2 1 348.495 2.096 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H](C)C1 ZINC000369654414 446140127 /nfs/dbraw/zinc/14/01/27/446140127.db2.gz LIVCSTXTOOFYHB-HOCLYGCPSA-N 2 1 348.495 2.000 20 0 EDADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351495621 446099728 /nfs/dbraw/zinc/09/97/28/446099728.db2.gz PNFBNVAATIAPDN-QXAKKESOSA-N 2 1 345.487 1.810 20 0 EDADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351495621 446099734 /nfs/dbraw/zinc/09/97/34/446099734.db2.gz PNFBNVAATIAPDN-QXAKKESOSA-N 2 1 345.487 1.810 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCCCSc3ccccc3)C[C@@H]12 ZINC000351495999 446099989 /nfs/dbraw/zinc/09/99/89/446099989.db2.gz QTPPDGGVRBWJCF-USXIJHARSA-N 2 1 333.501 1.954 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCCCSc3ccccc3)C[C@@H]12 ZINC000351495999 446099996 /nfs/dbraw/zinc/09/99/96/446099996.db2.gz QTPPDGGVRBWJCF-USXIJHARSA-N 2 1 333.501 1.954 20 0 EDADMP CCC(CC)[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000359345975 446164438 /nfs/dbraw/zinc/16/44/38/446164438.db2.gz JFLCYIWBBQXNNX-WMZOPIPTSA-N 2 1 339.524 1.924 20 0 EDADMP CCC(CC)[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000359345975 446164441 /nfs/dbraw/zinc/16/44/41/446164441.db2.gz JFLCYIWBBQXNNX-WMZOPIPTSA-N 2 1 339.524 1.924 20 0 EDADMP COC(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000354388626 446169214 /nfs/dbraw/zinc/16/92/14/446169214.db2.gz NJEYKCYQWOWERM-UHFFFAOYSA-N 2 1 347.459 1.994 20 0 EDADMP COc1ccc(OC)c(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000354391650 446171991 /nfs/dbraw/zinc/17/19/91/446171991.db2.gz QCXMHXJAAVGGFG-UHFFFAOYSA-N 2 1 335.448 1.916 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000369678893 446145790 /nfs/dbraw/zinc/14/57/90/446145790.db2.gz BDUKDAFEADBNJN-HNNXBMFYSA-N 2 1 341.521 1.185 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000369678893 446145797 /nfs/dbraw/zinc/14/57/97/446145797.db2.gz BDUKDAFEADBNJN-HNNXBMFYSA-N 2 1 341.521 1.185 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH2+]C3)[C@H](C)C2)s1 ZINC000366325266 446152480 /nfs/dbraw/zinc/15/24/80/446152480.db2.gz PCZLZCANYHAQBP-XPKDYRNWSA-N 2 1 336.505 1.778 20 0 EDADMP CC[N@@H+](CCNC(=O)C1CC[NH+](Cc2cccnc2)CC1)C1CC1 ZINC000365534460 446244034 /nfs/dbraw/zinc/24/40/34/446244034.db2.gz FKUOXTBGLREUNL-UHFFFAOYSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000365498340 446231435 /nfs/dbraw/zinc/23/14/35/446231435.db2.gz NDUCXLMZNRZCQH-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000365498340 446231438 /nfs/dbraw/zinc/23/14/38/446231438.db2.gz NDUCXLMZNRZCQH-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000365498340 446231442 /nfs/dbraw/zinc/23/14/42/446231442.db2.gz NDUCXLMZNRZCQH-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)C1CCCC1 ZINC000365538975 446246642 /nfs/dbraw/zinc/24/66/42/446246642.db2.gz OFFPHSKXIIWPBT-SZMVWBNQSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](CCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)C1CCCC1 ZINC000365538975 446246647 /nfs/dbraw/zinc/24/66/47/446246647.db2.gz OFFPHSKXIIWPBT-SZMVWBNQSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](CCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)C1CCCC1 ZINC000365538975 446246653 /nfs/dbraw/zinc/24/66/53/446246653.db2.gz OFFPHSKXIIWPBT-SZMVWBNQSA-N 2 1 334.508 1.987 20 0 EDADMP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000366554097 446260287 /nfs/dbraw/zinc/26/02/87/446260287.db2.gz WAZDUNCYNQTELC-UHFFFAOYSA-N 2 1 328.460 1.985 20 0 EDADMP C[C@H]1CN(C(=O)[C@]2([NH+](C)C)CCCSC2)CC[N@@H+]1CC(C)(C)O ZINC000370408507 446265717 /nfs/dbraw/zinc/26/57/17/446265717.db2.gz WDXUCHZZEPYJKC-YOEHRIQHSA-N 2 1 343.537 1.117 20 0 EDADMP C[C@H]1CN(C(=O)[C@]2([NH+](C)C)CCCSC2)CC[N@H+]1CC(C)(C)O ZINC000370408507 446265719 /nfs/dbraw/zinc/26/57/19/446265719.db2.gz WDXUCHZZEPYJKC-YOEHRIQHSA-N 2 1 343.537 1.117 20 0 EDADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccco1 ZINC000359548562 446285753 /nfs/dbraw/zinc/28/57/53/446285753.db2.gz UWWUTUSEWYRQJZ-XHSDSOJGSA-N 2 1 334.464 1.215 20 0 EDADMP CC[NH+](CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C1CC1 ZINC000366716745 446320939 /nfs/dbraw/zinc/32/09/39/446320939.db2.gz GBSDUXNFLLGFAA-RDTXWAMCSA-N 2 1 333.480 1.404 20 0 EDADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3n[nH]c(=O)s3)CC2)C[C@@H](C)O1 ZINC000373754516 446326087 /nfs/dbraw/zinc/32/60/87/446326087.db2.gz QHDRGSVKORQGTL-CHWSQXEVSA-N 2 1 340.493 1.955 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC[C@@H]3C[NH3+])c2)CCO1 ZINC000417273242 446337346 /nfs/dbraw/zinc/33/73/46/446337346.db2.gz WTGRTBAYOMOSPZ-MAUKXSAKSA-N 2 1 346.475 1.540 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC[C@@H]3C[NH3+])c2)CCO1 ZINC000417273242 446337351 /nfs/dbraw/zinc/33/73/51/446337351.db2.gz WTGRTBAYOMOSPZ-MAUKXSAKSA-N 2 1 346.475 1.540 20 0 EDADMP COC[C@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000370589398 446345414 /nfs/dbraw/zinc/34/54/14/446345414.db2.gz PUJAWBNYVRZXCE-KRWDZBQOSA-N 2 1 333.476 1.654 20 0 EDADMP C[NH+]1CCC2(CCCN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C2)CC1 ZINC000374149474 446354511 /nfs/dbraw/zinc/35/45/11/446354511.db2.gz AWVPGQOLVLGSJP-SFHVURJKSA-N 2 1 349.519 1.964 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)N2CCC(c3ccccn3)CC2)CC1 ZINC000366798625 446357497 /nfs/dbraw/zinc/35/74/97/446357497.db2.gz WYHHVVNENBVQKD-INIZCTEOSA-N 2 1 330.476 1.814 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417510611 446357816 /nfs/dbraw/zinc/35/78/16/446357816.db2.gz XKSWXVJIJWIVPE-OALUTQOASA-N 2 1 344.503 1.944 20 0 EDADMP COC[C@@]1(CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000417547971 446364428 /nfs/dbraw/zinc/36/44/28/446364428.db2.gz HNXJPEORFOYBPF-RDJZCZTQSA-N 2 1 326.485 1.175 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000417587114 446365058 /nfs/dbraw/zinc/36/50/58/446365058.db2.gz NNNAQFVBAUEQOL-KBAYOESNSA-N 2 1 330.476 1.758 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000417819910 446374356 /nfs/dbraw/zinc/37/43/56/446374356.db2.gz GVYFUDJCLNZUQP-WMZOPIPTSA-N 2 1 330.476 1.902 20 0 EDADMP CC[C@H](NC(=O)N[C@H](C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417898408 446380431 /nfs/dbraw/zinc/38/04/31/446380431.db2.gz RMBHEHHRWSEKOO-HYVNUMGLSA-N 2 1 334.464 1.312 20 0 EDADMP CC[C@H](NC(=O)N[C@H](C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417898408 446380436 /nfs/dbraw/zinc/38/04/36/446380436.db2.gz RMBHEHHRWSEKOO-HYVNUMGLSA-N 2 1 334.464 1.312 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000417922660 446386957 /nfs/dbraw/zinc/38/69/57/446386957.db2.gz JIJIYBUNZGGEMV-SJLPKXTDSA-N 2 1 330.476 1.902 20 0 EDADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000431804503 446435129 /nfs/dbraw/zinc/43/51/29/446435129.db2.gz KEZBUFNDCXZFRL-UHFFFAOYSA-N 2 1 344.463 1.997 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)ccc1C[NH+](C)C ZINC000411240232 446440020 /nfs/dbraw/zinc/44/00/20/446440020.db2.gz HGNDBDVWEFYAAS-UHFFFAOYSA-N 2 1 332.448 1.206 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC(O)(C[NH3+])CC2)cc[nH+]1 ZINC000420276424 446446810 /nfs/dbraw/zinc/44/68/10/446446810.db2.gz RQFOHCJXFJURLJ-HOCLYGCPSA-N 2 1 349.479 1.382 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000418021563 446418694 /nfs/dbraw/zinc/41/86/94/446418694.db2.gz JQOKLRJQJOZTFF-UHFFFAOYSA-N 2 1 330.476 1.851 20 0 EDADMP C[NH2+]CC1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000420305147 446468523 /nfs/dbraw/zinc/46/85/23/446468523.db2.gz YSAJVCZMTTUUIC-GOSISDBHSA-N 2 1 332.492 1.337 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)NCCC[NH2+]C3CC3)CC2)cn1 ZINC000418289989 446485942 /nfs/dbraw/zinc/48/59/42/446485942.db2.gz PWWHNNJKUHXMKF-UHFFFAOYSA-N 2 1 348.495 1.262 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)NCCC[NH2+]C3CC3)CC2)cn1 ZINC000418289989 446485947 /nfs/dbraw/zinc/48/59/47/446485947.db2.gz PWWHNNJKUHXMKF-UHFFFAOYSA-N 2 1 348.495 1.262 20 0 EDADMP Cn1ccnc1C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420321067 446487479 /nfs/dbraw/zinc/48/74/79/446487479.db2.gz ZJXUOIKHDMBYJL-IAGOWNOFSA-N 3 1 331.508 1.754 20 0 EDADMP Cn1ccnc1CN(CC[C@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420321067 446487487 /nfs/dbraw/zinc/48/74/87/446487487.db2.gz ZJXUOIKHDMBYJL-IAGOWNOFSA-N 2 1 331.508 1.754 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000423328627 446490053 /nfs/dbraw/zinc/49/00/53/446490053.db2.gz KYUQHXGJAQAXCT-BBRMVZONSA-N 2 1 333.432 1.747 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000423328627 446490060 /nfs/dbraw/zinc/49/00/60/446490060.db2.gz KYUQHXGJAQAXCT-BBRMVZONSA-N 2 1 333.432 1.747 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000423333122 446490650 /nfs/dbraw/zinc/49/06/50/446490650.db2.gz DVJQWLXXILRUBG-OWCLPIDISA-N 2 1 325.497 1.770 20 0 EDADMP CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327103 446495171 /nfs/dbraw/zinc/49/51/71/446495171.db2.gz CYDAYYYBKHXLBU-GASCZTMLSA-N 2 1 345.443 1.733 20 0 EDADMP CCOC(=O)CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000420327410 446495832 /nfs/dbraw/zinc/49/58/32/446495832.db2.gz YTDSYUVBTLSZKI-HZPDHXFCSA-N 2 1 339.480 1.300 20 0 EDADMP [NH3+]C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)C1CCCCC1 ZINC000418343113 446508699 /nfs/dbraw/zinc/50/86/99/446508699.db2.gz AMFFWACIHXYKPL-HOTGVXAUSA-N 2 1 326.485 1.040 20 0 EDADMP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339892 446510051 /nfs/dbraw/zinc/51/00/51/446510051.db2.gz ZHKBGLXRCYXRJH-NVXWUHKLSA-N 2 1 343.471 1.652 20 0 EDADMP C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339892 446510056 /nfs/dbraw/zinc/51/00/56/446510056.db2.gz ZHKBGLXRCYXRJH-NVXWUHKLSA-N 2 1 343.471 1.652 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)c1ccccc1 ZINC000423387314 446512541 /nfs/dbraw/zinc/51/25/41/446512541.db2.gz RYBIHZJGOIEQET-LMMKCTJWSA-N 2 1 331.460 1.564 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420342349 446513194 /nfs/dbraw/zinc/51/31/94/446513194.db2.gz QSEJQRZROIDJNF-SOUVJXGZSA-N 2 1 336.480 1.465 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NC(=O)NCc1ccccc1 ZINC000420341511 446513632 /nfs/dbraw/zinc/51/36/32/446513632.db2.gz ORPPWZPQBKJCGM-DLBZAZTESA-N 2 1 344.459 1.334 20 0 EDADMP CC(C)(C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]([NH3+])c1ccccc1 ZINC000423388846 446513917 /nfs/dbraw/zinc/51/39/17/446513917.db2.gz JCVMELWFLHQVCP-HOTGVXAUSA-N 2 1 346.475 1.169 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418359252 446513982 /nfs/dbraw/zinc/51/39/82/446513982.db2.gz ZTOGACNQGOTIQP-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328827 446497646 /nfs/dbraw/zinc/49/76/46/446497646.db2.gz NBSGFHZBXDSUGH-AEFFLSMTSA-N 2 1 345.487 1.893 20 0 EDADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328827 446497649 /nfs/dbraw/zinc/49/76/49/446497649.db2.gz NBSGFHZBXDSUGH-AEFFLSMTSA-N 2 1 345.487 1.893 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423354395 446497664 /nfs/dbraw/zinc/49/76/64/446497664.db2.gz CVSDLDKVSILKEZ-XUWVNRHRSA-N 2 1 347.507 1.973 20 0 EDADMP Cn1cc(C(=O)NCC[N@@H+](C)C2CCCCC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000423346308 446498034 /nfs/dbraw/zinc/49/80/34/446498034.db2.gz ZTCUNLBSKNRMSY-HNNXBMFYSA-N 2 1 347.507 1.881 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329524 446498691 /nfs/dbraw/zinc/49/86/91/446498691.db2.gz ONDFPSRYJBCDAE-QZWWFDLISA-N 2 1 337.508 1.757 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329524 446498699 /nfs/dbraw/zinc/49/86/99/446498699.db2.gz ONDFPSRYJBCDAE-QZWWFDLISA-N 2 1 337.508 1.757 20 0 EDADMP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329772 446499429 /nfs/dbraw/zinc/49/94/29/446499429.db2.gz OXUUSGXSVIPWIR-SJLPKXTDSA-N 2 1 345.487 1.687 20 0 EDADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420386862 446563775 /nfs/dbraw/zinc/56/37/75/446563775.db2.gz JFSIKSHYHILLCE-VQHPVUNQSA-N 2 1 335.492 1.476 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CCOCC3CCCC3)cn2)CC1 ZINC000453584665 446564954 /nfs/dbraw/zinc/56/49/54/446564954.db2.gz LWHCAVXRYFBXJW-UHFFFAOYSA-N 2 1 333.480 1.525 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418370130 446518467 /nfs/dbraw/zinc/51/84/67/446518467.db2.gz OYGYSXWAKAVPEI-IRXDYDNUSA-N 3 1 339.528 1.186 20 0 EDADMP COC(=O)c1coc([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000423399192 446518447 /nfs/dbraw/zinc/51/84/47/446518447.db2.gz WBYLKEGYMGOWKN-GXFFZTMASA-N 2 1 349.353 1.553 20 0 EDADMP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346218 446518494 /nfs/dbraw/zinc/51/84/94/446518494.db2.gz CLHMTGJELYEPLZ-SJLPKXTDSA-N 2 1 330.476 1.013 20 0 EDADMP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346392 446519542 /nfs/dbraw/zinc/51/95/42/446519542.db2.gz WTROUPLCNYQKAK-YTQUADARSA-N 2 1 329.488 1.974 20 0 EDADMP O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420346781 446521563 /nfs/dbraw/zinc/52/15/63/446521563.db2.gz DNVSBWJAIDLFIG-ZWKOTPCHSA-N 2 1 346.450 1.125 20 0 EDADMP O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420346781 446521568 /nfs/dbraw/zinc/52/15/68/446521568.db2.gz DNVSBWJAIDLFIG-ZWKOTPCHSA-N 2 1 346.450 1.125 20 0 EDADMP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420346988 446521794 /nfs/dbraw/zinc/52/17/94/446521794.db2.gz FGYKRXHSRRXBIQ-HOCLYGCPSA-N 2 1 348.516 1.715 20 0 EDADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420346988 446521804 /nfs/dbraw/zinc/52/18/04/446521804.db2.gz FGYKRXHSRRXBIQ-HOCLYGCPSA-N 2 1 348.516 1.715 20 0 EDADMP [NH3+]C1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000418389338 446525093 /nfs/dbraw/zinc/52/50/93/446525093.db2.gz RNXPNRUOFDAAAG-FOIPXRHGSA-N 2 1 346.475 1.191 20 0 EDADMP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348673 446525798 /nfs/dbraw/zinc/52/57/98/446525798.db2.gz MKTWEADBRIWOGT-SFHVURJKSA-N 2 1 348.466 1.154 20 0 EDADMP CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350055 446527315 /nfs/dbraw/zinc/52/73/15/446527315.db2.gz RFXUTNWEXGEWIO-MRXNPFEDSA-N 2 1 346.475 1.393 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000420352833 446531152 /nfs/dbraw/zinc/53/11/52/446531152.db2.gz AYBXVOOBTFOWCA-SJORKVTESA-N 3 1 332.492 1.383 20 0 EDADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000418404621 446532932 /nfs/dbraw/zinc/53/29/32/446532932.db2.gz CXTFIAVZOXYQJK-WMMRIRDVSA-N 2 1 332.492 1.928 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000420370579 446549245 /nfs/dbraw/zinc/54/92/45/446549245.db2.gz JPZKRHYOJMLUPI-JFIYKMOQSA-N 2 1 331.460 1.728 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(CCCO)C2)[C@H](C)C1 ZINC000453252242 446553165 /nfs/dbraw/zinc/55/31/65/446553165.db2.gz BWOXOVHZCLCKLH-QYZOEREBSA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCC[NH+](CCCO)C2)[C@H](C)C1 ZINC000453252242 446553171 /nfs/dbraw/zinc/55/31/71/446553171.db2.gz BWOXOVHZCLCKLH-QYZOEREBSA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2CCC[NH+](CCCO)C2)[C@H](C)C1 ZINC000453252242 446553178 /nfs/dbraw/zinc/55/31/78/446553178.db2.gz BWOXOVHZCLCKLH-QYZOEREBSA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[NH+]1CC[C@H](N[C@H]2CCC[N@H+](CCCO)C2)[C@H](C)C1 ZINC000453252242 446553184 /nfs/dbraw/zinc/55/31/84/446553184.db2.gz BWOXOVHZCLCKLH-QYZOEREBSA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[NH+]1CC[C@H](N[C@H]2CCC[N@@H+](CCCO)C2)[C@H](C)C1 ZINC000453252242 446553189 /nfs/dbraw/zinc/55/31/89/446553189.db2.gz BWOXOVHZCLCKLH-QYZOEREBSA-N 2 1 341.540 1.560 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)CC2)c1 ZINC000420397808 446572311 /nfs/dbraw/zinc/57/23/11/446572311.db2.gz GHMBVIBBCRIEMK-QZTJIDSGSA-N 2 1 344.503 1.560 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)CC2)c1 ZINC000420397808 446572314 /nfs/dbraw/zinc/57/23/14/446572314.db2.gz GHMBVIBBCRIEMK-QZTJIDSGSA-N 2 1 344.503 1.560 20 0 EDADMP COCc1cccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420399319 446573674 /nfs/dbraw/zinc/57/36/74/446573674.db2.gz NVUPCHNNWAXJLT-RTBURBONSA-N 2 1 345.487 1.913 20 0 EDADMP COCc1cccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420399319 446573679 /nfs/dbraw/zinc/57/36/79/446573679.db2.gz NVUPCHNNWAXJLT-RTBURBONSA-N 2 1 345.487 1.913 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000418512505 446575291 /nfs/dbraw/zinc/57/52/91/446575291.db2.gz LLEQGRTVSXNXGK-OLZOCXBDSA-N 2 1 330.354 1.246 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420402430 446575357 /nfs/dbraw/zinc/57/53/57/446575357.db2.gz IUIFQXVFJFUSLE-UONOGXRCSA-N 2 1 345.443 1.784 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418522545 446579710 /nfs/dbraw/zinc/57/97/10/446579710.db2.gz JKVXJEQWKRFRPJ-KBAYOESNSA-N 2 1 330.476 1.887 20 0 EDADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420406128 446579852 /nfs/dbraw/zinc/57/98/52/446579852.db2.gz PXYZKRBUDYYFET-CQSZACIVSA-N 2 1 333.476 1.924 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000371020868 446579876 /nfs/dbraw/zinc/57/98/76/446579876.db2.gz WIDLWKLKJONTLD-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP O=C(NCC1CC[NH+](CCO)CC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434351500 446637505 /nfs/dbraw/zinc/63/75/05/446637505.db2.gz CERRBTFUHUZGLD-QGZVFWFLSA-N 2 1 338.496 1.007 20 0 EDADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1)CC1CC1 ZINC000418668462 446641759 /nfs/dbraw/zinc/64/17/59/446641759.db2.gz HTFSDLIOOKLEQQ-PIIMJCKOSA-N 2 1 334.508 1.748 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000418668414 446642106 /nfs/dbraw/zinc/64/21/06/446642106.db2.gz GNUBMUHEIDYLEW-BPQIPLTHSA-N 2 1 348.491 1.439 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418668416 446642218 /nfs/dbraw/zinc/64/22/18/446642218.db2.gz GNUBMUHEIDYLEW-NJAFHUGGSA-N 2 1 348.491 1.439 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C[C@H]1C ZINC000418683280 446646970 /nfs/dbraw/zinc/64/69/70/446646970.db2.gz WVUIPWAUTHDSNW-AEFFLSMTSA-N 2 1 348.491 1.829 20 0 EDADMP COCC[N@H+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C[C@H]1C ZINC000418683280 446646973 /nfs/dbraw/zinc/64/69/73/446646973.db2.gz WVUIPWAUTHDSNW-AEFFLSMTSA-N 2 1 348.491 1.829 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418690493 446648305 /nfs/dbraw/zinc/64/83/05/446648305.db2.gz XFBSOHOCWDOOKN-LEUOFYLZSA-N 2 1 328.460 1.620 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423738522 446669191 /nfs/dbraw/zinc/66/91/91/446669191.db2.gz UTDPVNFAVXJYBA-GOSISDBHSA-N 2 1 347.459 1.108 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)[C@@H](c2ccccc2)C1 ZINC000418767242 446685240 /nfs/dbraw/zinc/68/52/40/446685240.db2.gz QBJKSJDRHTZOSY-CABCVRRESA-N 2 1 338.402 1.682 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)[C@@H](c2ccccc2)C1 ZINC000418767242 446685248 /nfs/dbraw/zinc/68/52/48/446685248.db2.gz QBJKSJDRHTZOSY-CABCVRRESA-N 2 1 338.402 1.682 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000423770333 446696431 /nfs/dbraw/zinc/69/64/31/446696431.db2.gz DCEJJLZURHPXGN-PKOBYXMFSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCC(NC(=O)CN(C)Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000411798632 446678283 /nfs/dbraw/zinc/67/82/83/446678283.db2.gz UXAJNJNYVCPZAU-UHFFFAOYSA-N 2 1 348.491 1.739 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000423751099 446679508 /nfs/dbraw/zinc/67/95/08/446679508.db2.gz YEGGTQKRRVPSEJ-LMMKCTJWSA-N 2 1 336.524 1.523 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423753434 446684302 /nfs/dbraw/zinc/68/43/02/446684302.db2.gz BTPZTHRQRSKWTL-LSDHHAIUSA-N 2 1 335.496 1.737 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423901305 446752914 /nfs/dbraw/zinc/75/29/14/446752914.db2.gz TVFPJTNNQGLEKJ-OAHLLOKOSA-N 2 1 347.459 1.158 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423901305 446752919 /nfs/dbraw/zinc/75/29/19/446752919.db2.gz TVFPJTNNQGLEKJ-OAHLLOKOSA-N 2 1 347.459 1.158 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000423931040 446782053 /nfs/dbraw/zinc/78/20/53/446782053.db2.gz LXVRQFFUFGLWLR-UIBIWLFHSA-N 2 1 347.507 1.650 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000423934872 446787646 /nfs/dbraw/zinc/78/76/46/446787646.db2.gz XCSFWFQKCJIDAN-XJNFMUPTSA-N 2 1 335.496 1.635 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1c1ccccc1 ZINC000423935085 446787743 /nfs/dbraw/zinc/78/77/43/446787743.db2.gz YGVBQNAAPZCMSN-YRXWBPOGSA-N 2 1 345.487 1.940 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1c1ccccc1 ZINC000423935085 446787747 /nfs/dbraw/zinc/78/77/47/446787747.db2.gz YGVBQNAAPZCMSN-YRXWBPOGSA-N 2 1 345.487 1.940 20 0 EDADMP [NH3+]C[C@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000423955863 446798318 /nfs/dbraw/zinc/79/83/18/446798318.db2.gz LHECMADNSCMDOL-MOPGFXCFSA-N 2 1 345.487 1.911 20 0 EDADMP [NH3+]C[C@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000423955863 446798321 /nfs/dbraw/zinc/79/83/21/446798321.db2.gz LHECMADNSCMDOL-MOPGFXCFSA-N 2 1 345.487 1.911 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)N1CCc2sccc2C1 ZINC000454240121 446821647 /nfs/dbraw/zinc/82/16/47/446821647.db2.gz ANPRVNWSBQSSDR-IJEWVQPXSA-N 2 1 348.516 1.840 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH+]1CCc2sccc2C1 ZINC000454240121 446821656 /nfs/dbraw/zinc/82/16/56/446821656.db2.gz ANPRVNWSBQSSDR-IJEWVQPXSA-N 2 1 348.516 1.840 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000454240121 446821659 /nfs/dbraw/zinc/82/16/59/446821659.db2.gz ANPRVNWSBQSSDR-IJEWVQPXSA-N 2 1 348.516 1.840 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000454240121 446821666 /nfs/dbraw/zinc/82/16/66/446821666.db2.gz ANPRVNWSBQSSDR-IJEWVQPXSA-N 2 1 348.516 1.840 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424042199 446830402 /nfs/dbraw/zinc/83/04/02/446830402.db2.gz AJKUBXUTJWMWED-FGTMMUONSA-N 2 1 329.444 1.098 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424042200 446830669 /nfs/dbraw/zinc/83/06/69/446830669.db2.gz AJKUBXUTJWMWED-OKZBNKHCSA-N 2 1 329.444 1.098 20 0 EDADMP CN(C)C(=O)c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)[nH]1 ZINC000371415647 446840513 /nfs/dbraw/zinc/84/05/13/446840513.db2.gz FPNLDSYATCVDFZ-UHFFFAOYSA-N 2 1 348.491 1.651 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000419003617 446858925 /nfs/dbraw/zinc/85/89/25/446858925.db2.gz QNDNDXMXHOSVAA-IRXDYDNUSA-N 2 1 346.475 1.011 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)c1 ZINC000419015890 446867850 /nfs/dbraw/zinc/86/78/50/446867850.db2.gz FKJYHFINNBNUNG-KRWDZBQOSA-N 2 1 348.491 1.244 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419020936 446870804 /nfs/dbraw/zinc/87/08/04/446870804.db2.gz GLNPZYLTBJHHHZ-HLLBOEOZSA-N 2 1 346.475 1.039 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000424454320 446875379 /nfs/dbraw/zinc/87/53/79/446875379.db2.gz LJNAKGBOVONIRQ-BBRMVZONSA-N 2 1 332.448 1.237 20 0 EDADMP COC1(C[NH2+]CCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CCOCC1 ZINC000368461425 446877489 /nfs/dbraw/zinc/87/74/89/446877489.db2.gz IRJCLSXPMFMOEZ-IBGZPJMESA-N 2 1 347.503 1.760 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@@H](C)C1 ZINC000424459840 446878401 /nfs/dbraw/zinc/87/84/01/446878401.db2.gz HPGPKMQPGCORJX-YLFCFFPRSA-N 2 1 340.512 1.693 20 0 EDADMP CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420901862 446879132 /nfs/dbraw/zinc/87/91/32/446879132.db2.gz LFABWFBSSBQAJS-HXUWFJFHSA-N 2 1 345.487 1.867 20 0 EDADMP CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420901862 446879137 /nfs/dbraw/zinc/87/91/37/446879137.db2.gz LFABWFBSSBQAJS-HXUWFJFHSA-N 2 1 345.487 1.867 20 0 EDADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420915081 446886359 /nfs/dbraw/zinc/88/63/59/446886359.db2.gz DJXVNCAMAVLXNF-MSOLQXFVSA-N 2 1 331.460 1.523 20 0 EDADMP Cn1cc([C@@H]2[C@H](CNC(=O)c3ccc(C[NH3+])cc3)CCC[N@H+]2C)cn1 ZINC000368478501 446886567 /nfs/dbraw/zinc/88/65/67/446886567.db2.gz SLFYOUKZAREBRV-WMZOPIPTSA-N 2 1 341.459 1.692 20 0 EDADMP CC[N@H+]1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)[C@@H](C)C1 ZINC000412339926 446940866 /nfs/dbraw/zinc/94/08/66/446940866.db2.gz QDPFFNRVRCUSPE-HOCLYGCPSA-N 2 1 325.522 1.757 20 0 EDADMP CC[N@H+](CCOc1ccccc1C)CCC(=O)N1CC[NH+](C)CC1 ZINC000420976363 446950163 /nfs/dbraw/zinc/95/01/63/446950163.db2.gz STKKXFVHVPPQSF-UHFFFAOYSA-N 2 1 333.476 1.860 20 0 EDADMP CC[N@@H+](CCOc1ccccc1C)CCC(=O)N1CC[NH+](C)CC1 ZINC000420976363 446950168 /nfs/dbraw/zinc/95/01/68/446950168.db2.gz STKKXFVHVPPQSF-UHFFFAOYSA-N 2 1 333.476 1.860 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442771010 446961333 /nfs/dbraw/zinc/96/13/33/446961333.db2.gz SJBABFXMGZZHCP-ZFWWWQNUSA-N 2 1 335.448 1.032 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442771010 446961339 /nfs/dbraw/zinc/96/13/39/446961339.db2.gz SJBABFXMGZZHCP-ZFWWWQNUSA-N 2 1 335.448 1.032 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000442783510 446968104 /nfs/dbraw/zinc/96/81/04/446968104.db2.gz TYVBAZSOFZLKFV-GHMZBOCLSA-N 2 1 338.839 1.437 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000372111235 447007533 /nfs/dbraw/zinc/00/75/33/447007533.db2.gz PQMHEIPBEOWXSW-INIZCTEOSA-N 2 1 334.464 1.766 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC([NH2+]C3CCCC3)CC2)C1 ZINC000372115519 447009937 /nfs/dbraw/zinc/00/99/37/447009937.db2.gz HSTSBHINRUFJPS-KRWDZBQOSA-N 2 1 338.496 1.413 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000419158547 446975300 /nfs/dbraw/zinc/97/53/00/446975300.db2.gz WMASRCKTLGCLRI-JKSUJKDBSA-N 2 1 340.512 1.104 20 0 EDADMP Cc1ccc(NCCCNC(=O)c2cccn2C2CC[NH2+]CC2)[nH+]c1 ZINC000372100127 447000084 /nfs/dbraw/zinc/00/00/84/447000084.db2.gz AXACOIQBDDLEGK-UHFFFAOYSA-N 2 1 341.459 2.348 20 0 EDADMP CN(CCCNC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443061675 447001215 /nfs/dbraw/zinc/00/12/15/447001215.db2.gz SDJGOSWTTMCIIR-KRWDZBQOSA-N 2 1 332.492 1.690 20 0 EDADMP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000372107586 447004896 /nfs/dbraw/zinc/00/48/96/447004896.db2.gz KVBGXBYYBPUUJY-AEFFLSMTSA-N 2 1 337.508 1.604 20 0 EDADMP O[C@H]1C[N@@H+](Cc2cccc(C[NH+]3C[C@@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000368787438 447105233 /nfs/dbraw/zinc/10/52/33/447105233.db2.gz VXQGFBBQEPVBIM-HDICACEKSA-N 2 1 328.456 1.600 20 0 EDADMP O[C@H]1C[NH+](Cc2cccc(C[N@@H+]3C[C@@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000368787438 447105236 /nfs/dbraw/zinc/10/52/36/447105236.db2.gz VXQGFBBQEPVBIM-HDICACEKSA-N 2 1 328.456 1.600 20 0 EDADMP O[C@H]1C[NH+](Cc2cccc(C[N@H+]3C[C@@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000368787438 447105242 /nfs/dbraw/zinc/10/52/42/447105242.db2.gz VXQGFBBQEPVBIM-HDICACEKSA-N 2 1 328.456 1.600 20 0 EDADMP CC(C)[C@H](C)NC(=O)C[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000372523645 447108063 /nfs/dbraw/zinc/10/80/63/447108063.db2.gz CFBKPEWHSJKUBF-TXPKVOOTSA-N 2 1 349.523 1.896 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000368738657 447077032 /nfs/dbraw/zinc/07/70/32/447077032.db2.gz BADURAAPOIYCLC-FGTMMUONSA-N 2 1 336.524 1.536 20 0 EDADMP Cc1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000444185956 447092218 /nfs/dbraw/zinc/09/22/18/447092218.db2.gz QHKHLQGSTSMFOR-OAHLLOKOSA-N 2 1 330.432 1.720 20 0 EDADMP Cc1ncccc1OC[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000419394468 447149240 /nfs/dbraw/zinc/14/92/40/447149240.db2.gz SHSANDCSUVXUCU-QGZVFWFLSA-N 2 1 346.475 1.397 20 0 EDADMP Cc1ncccc1OC[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000419394468 447149248 /nfs/dbraw/zinc/14/92/48/447149248.db2.gz SHSANDCSUVXUCU-QGZVFWFLSA-N 2 1 346.475 1.397 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000444999094 447154221 /nfs/dbraw/zinc/15/42/21/447154221.db2.gz PBAHQUUPSSMEIU-UHFFFAOYSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000419407152 447156394 /nfs/dbraw/zinc/15/63/94/447156394.db2.gz JRKOXAQGAFCJFH-CABCVRRESA-N 2 1 346.475 1.171 20 0 EDADMP CO[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1)C1CC1 ZINC000425475426 447181914 /nfs/dbraw/zinc/18/19/14/447181914.db2.gz JFDGBUJPWALYAE-HKUYNNGSSA-N 2 1 337.508 1.678 20 0 EDADMP CO[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1)C1CC1 ZINC000425475426 447181917 /nfs/dbraw/zinc/18/19/17/447181917.db2.gz JFDGBUJPWALYAE-HKUYNNGSSA-N 2 1 337.508 1.678 20 0 EDADMP CO[C@@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1)C1CC1 ZINC000425475426 447181923 /nfs/dbraw/zinc/18/19/23/447181923.db2.gz JFDGBUJPWALYAE-HKUYNNGSSA-N 2 1 337.508 1.678 20 0 EDADMP CO[C@@H](C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1)C1CC1 ZINC000425475426 447181928 /nfs/dbraw/zinc/18/19/28/447181928.db2.gz JFDGBUJPWALYAE-HKUYNNGSSA-N 2 1 337.508 1.678 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000419429224 447169480 /nfs/dbraw/zinc/16/94/80/447169480.db2.gz AFFQYABFPQYGKH-CVEARBPZSA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000419429225 447169593 /nfs/dbraw/zinc/16/95/93/447169593.db2.gz AFFQYABFPQYGKH-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000375952689 447170674 /nfs/dbraw/zinc/17/06/74/447170674.db2.gz CQJJMXOTEMXQJD-RTBURBONSA-N 2 1 339.524 1.672 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000368990096 447249903 /nfs/dbraw/zinc/24/99/03/447249903.db2.gz DWYNQJABDWPVGT-IRXDYDNUSA-N 2 1 349.479 1.382 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)C(C)C ZINC000446060477 447222591 /nfs/dbraw/zinc/22/25/91/447222591.db2.gz JZFZBDSTVPMTIV-UHFFFAOYSA-N 2 1 348.491 1.576 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425548681 447226458 /nfs/dbraw/zinc/22/64/58/447226458.db2.gz KDJBZBXKYOLLHX-MRXNPFEDSA-N 2 1 342.528 1.859 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000376046801 447233189 /nfs/dbraw/zinc/23/31/89/447233189.db2.gz RSWWLMRFRZTUJK-CWLKWCNXSA-N 2 1 326.481 1.348 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000376046801 447233193 /nfs/dbraw/zinc/23/31/93/447233193.db2.gz RSWWLMRFRZTUJK-CWLKWCNXSA-N 2 1 326.481 1.348 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000376046801 447233197 /nfs/dbraw/zinc/23/31/97/447233197.db2.gz RSWWLMRFRZTUJK-CWLKWCNXSA-N 2 1 326.481 1.348 20 0 EDADMP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000372716465 447242739 /nfs/dbraw/zinc/24/27/39/447242739.db2.gz OYQKJFCRLVBMJL-JKSUJKDBSA-N 2 1 344.459 1.660 20 0 EDADMP C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000372783863 447283550 /nfs/dbraw/zinc/28/35/50/447283550.db2.gz RYWRZBBYMBICQC-JKSUJKDBSA-N 2 1 329.554 1.903 20 0 EDADMP C[C@H]1C[C@H](NC(=O)COC2(C)C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000379681203 447454184 /nfs/dbraw/zinc/45/41/84/447454184.db2.gz PQQHWMHOZZIOFH-DOTOQJQBSA-N 2 1 331.460 1.534 20 0 EDADMP CCC[NH2+]CCNC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000415517002 447491779 /nfs/dbraw/zinc/49/17/79/447491779.db2.gz IEBSQCZLBYKMMN-UHFFFAOYSA-N 2 1 332.448 1.467 20 0 EDADMP CCC[NH2+]CCNC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000415517002 447491781 /nfs/dbraw/zinc/49/17/81/447491781.db2.gz IEBSQCZLBYKMMN-UHFFFAOYSA-N 2 1 332.448 1.467 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390656282 447496240 /nfs/dbraw/zinc/49/62/40/447496240.db2.gz WMFCUKWGFMRDLC-OWCLPIDISA-N 2 1 341.496 1.942 20 0 EDADMP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390899745 447504945 /nfs/dbraw/zinc/50/49/45/447504945.db2.gz MXTSMMXCOBHBCM-RCCFBDPRSA-N 2 1 331.460 1.521 20 0 EDADMP CN(C)c1nccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000391089907 447509947 /nfs/dbraw/zinc/50/99/47/447509947.db2.gz YGWDWXLYGXUYGT-QGZVFWFLSA-N 2 1 341.459 2.246 20 0 EDADMP CN(C)c1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000391089907 447509958 /nfs/dbraw/zinc/50/99/58/447509958.db2.gz YGWDWXLYGXUYGT-QGZVFWFLSA-N 2 1 341.459 2.246 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000457110032 447519126 /nfs/dbraw/zinc/51/91/26/447519126.db2.gz HJJINTLTWXNISM-QGZVFWFLSA-N 2 1 337.508 1.963 20 0 EDADMP O=C1NCC[C@@H]1CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000395786362 447540840 /nfs/dbraw/zinc/54/08/40/447540840.db2.gz QGXLWHFXTSGSCD-QYZOEREBSA-N 2 1 327.472 1.967 20 0 EDADMP O=C1NCC[C@@H]1CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000395786362 447540849 /nfs/dbraw/zinc/54/08/49/447540849.db2.gz QGXLWHFXTSGSCD-QYZOEREBSA-N 2 1 327.472 1.967 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[NH+](C)C ZINC000459032922 447546855 /nfs/dbraw/zinc/54/68/55/447546855.db2.gz BQXYPBCYQZXGOS-JQHSSLGASA-N 2 1 348.491 1.119 20 0 EDADMP COc1cccc2c(N3CCC[C@@H](C(=O)NCC[NH3+])C3)cc(C)[nH+]c12 ZINC000420168287 447651530 /nfs/dbraw/zinc/65/15/30/447651530.db2.gz KAEQQPFFWKGDGK-CQSZACIVSA-N 2 1 342.443 1.843 20 0 EDADMP C[C@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@H+](C2CC2)C1 ZINC000457845182 447647311 /nfs/dbraw/zinc/64/73/11/447647311.db2.gz AFDHOKUHQXDXMT-OAHLLOKOSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000416558158 447648298 /nfs/dbraw/zinc/64/82/98/447648298.db2.gz OOENSGUCILGJCA-OAHLLOKOSA-N 2 1 339.505 1.758 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000416869318 447699510 /nfs/dbraw/zinc/69/95/10/447699510.db2.gz GTJKSLWTRJIQAY-KRWDZBQOSA-N 2 1 331.464 1.614 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000427917034 447669998 /nfs/dbraw/zinc/66/99/98/447669998.db2.gz OAILFOAFOJYHOJ-GJZGRUSLSA-N 2 1 325.497 1.865 20 0 EDADMP COCc1ccc(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000422632331 447679304 /nfs/dbraw/zinc/67/93/04/447679304.db2.gz GSWUFBWYUXUGOA-MPGHIAIKSA-N 2 1 333.476 1.754 20 0 EDADMP COCc1ccc(CNC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000422632331 447679308 /nfs/dbraw/zinc/67/93/08/447679308.db2.gz GSWUFBWYUXUGOA-MPGHIAIKSA-N 2 1 333.476 1.754 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000422641364 447685236 /nfs/dbraw/zinc/68/52/36/447685236.db2.gz XVWZCRWTWCILOW-ZVDSWSACSA-N 2 1 338.496 1.696 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000422641364 447685239 /nfs/dbraw/zinc/68/52/39/447685239.db2.gz XVWZCRWTWCILOW-ZVDSWSACSA-N 2 1 338.496 1.696 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCCC[NH2+]Cc1cccnc1)c1ccco1 ZINC000416804949 447689000 /nfs/dbraw/zinc/68/90/00/447689000.db2.gz DHDGAMZXVLFGDP-INIZCTEOSA-N 2 1 345.447 1.756 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000416934700 447714426 /nfs/dbraw/zinc/71/44/26/447714426.db2.gz DXUFZXODCSKHJK-IRXDYDNUSA-N 2 1 340.512 1.504 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000416939953 447717011 /nfs/dbraw/zinc/71/70/11/447717011.db2.gz NZMJQFJUPQARPJ-OAGGEKHMSA-N 2 1 326.485 1.112 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000416941518 447719072 /nfs/dbraw/zinc/71/90/72/447719072.db2.gz AAFQBFLMWRKVTL-BBWFWOEESA-N 2 1 339.528 1.075 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417256001 447738622 /nfs/dbraw/zinc/73/86/22/447738622.db2.gz QSKKQMVPKDQOOP-RQJABVFESA-N 2 1 332.439 1.649 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459715213 447749897 /nfs/dbraw/zinc/74/98/97/447749897.db2.gz PAIBXXXOIIZIGK-RYQLBKOJSA-N 2 1 329.448 1.139 20 0 EDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000430579791 447781307 /nfs/dbraw/zinc/78/13/07/447781307.db2.gz KTEVQPBLMUMXAZ-MRXNPFEDSA-N 2 1 328.478 1.822 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2OC)C1 ZINC000430782698 447785012 /nfs/dbraw/zinc/78/50/12/447785012.db2.gz XXBHCGYRFYJSHT-MAUKXSAKSA-N 2 1 349.475 1.654 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@@H]1C ZINC000430800446 447786367 /nfs/dbraw/zinc/78/63/67/447786367.db2.gz QYLSGTJCHBSGNM-XJKSGUPXSA-N 2 1 348.495 1.456 20 0 EDADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCN2C(=O)NC3(CCCC3)C2=O)c2ccccc21 ZINC000423048686 447797950 /nfs/dbraw/zinc/79/79/50/447797950.db2.gz IIJNDLHMJCQZFH-HUUCEWRRSA-N 2 1 328.416 1.585 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]C2CC(N3CCCCC3)C2)CC[NH2+]CC1 ZINC000423106252 447805798 /nfs/dbraw/zinc/80/57/98/447805798.db2.gz ZNCSLXTZPNZJAJ-GTPINHCMSA-N 2 1 337.508 1.914 20 0 EDADMP C[C@H](CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000569676591 447863499 /nfs/dbraw/zinc/86/34/99/447863499.db2.gz LQJWBACDTUPHLW-AEFFLSMTSA-N 3 1 347.507 1.181 20 0 EDADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000496728588 447860666 /nfs/dbraw/zinc/86/06/66/447860666.db2.gz VRSCHMWEVFNHFA-ZWKOTPCHSA-N 2 1 341.496 1.680 20 0 EDADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000496728588 447860667 /nfs/dbraw/zinc/86/06/67/447860667.db2.gz VRSCHMWEVFNHFA-ZWKOTPCHSA-N 2 1 341.496 1.680 20 0 EDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000496728588 447860669 /nfs/dbraw/zinc/86/06/69/447860669.db2.gz VRSCHMWEVFNHFA-ZWKOTPCHSA-N 2 1 341.496 1.680 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000575745478 447888438 /nfs/dbraw/zinc/88/84/38/447888438.db2.gz MTRVSEQAKZVBBT-UHFFFAOYSA-N 2 1 330.476 1.050 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn2c(n1)CCC2 ZINC000569815198 447898548 /nfs/dbraw/zinc/89/85/48/447898548.db2.gz YFTBSEZECWCQPR-HNNXBMFYSA-N 2 1 333.480 1.317 20 0 EDADMP C[C@@H]1C[NH+](C)CCN1Cc1cncc(CN2CC[N@H+](C)C[C@H]2C)c1 ZINC000569917596 447915407 /nfs/dbraw/zinc/91/54/07/447915407.db2.gz KHYORXSKSGLUHJ-IAGOWNOFSA-N 2 1 331.508 1.353 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCSC1 ZINC000530656215 447935052 /nfs/dbraw/zinc/93/50/52/447935052.db2.gz RNHAEQXVKFBBLZ-QGZVFWFLSA-N 2 1 342.553 1.940 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000530814457 447964026 /nfs/dbraw/zinc/96/40/26/447964026.db2.gz GBFBKKIVVGQGAJ-IEBWSBKVSA-N 2 1 331.460 1.224 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530814457 447964031 /nfs/dbraw/zinc/96/40/31/447964031.db2.gz GBFBKKIVVGQGAJ-IEBWSBKVSA-N 2 1 331.460 1.224 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530814457 447964036 /nfs/dbraw/zinc/96/40/36/447964036.db2.gz GBFBKKIVVGQGAJ-IEBWSBKVSA-N 2 1 331.460 1.224 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc(OC)c1 ZINC000531034240 448005114 /nfs/dbraw/zinc/00/51/14/448005114.db2.gz QJJANJVIFMWCSV-HOTGVXAUSA-N 2 1 347.459 1.346 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc(OC)c1 ZINC000531034240 448005117 /nfs/dbraw/zinc/00/51/17/448005117.db2.gz QJJANJVIFMWCSV-HOTGVXAUSA-N 2 1 347.459 1.346 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc(OC)c1 ZINC000531034240 448005119 /nfs/dbraw/zinc/00/51/19/448005119.db2.gz QJJANJVIFMWCSV-HOTGVXAUSA-N 2 1 347.459 1.346 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc(OC)c1 ZINC000531034240 448005124 /nfs/dbraw/zinc/00/51/24/448005124.db2.gz QJJANJVIFMWCSV-HOTGVXAUSA-N 2 1 347.459 1.346 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1(CCO)CC[NH+](C)CC1 ZINC000570411452 448008216 /nfs/dbraw/zinc/00/82/16/448008216.db2.gz ORAHNSBKLPRHHW-HKUYNNGSSA-N 2 1 331.504 1.943 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)CNC[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000576100681 447971160 /nfs/dbraw/zinc/97/11/60/447971160.db2.gz XDLYRESKPYZBHG-PIKOESSRSA-N 2 1 349.519 1.219 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)CNC[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000576100681 447971163 /nfs/dbraw/zinc/97/11/63/447971163.db2.gz XDLYRESKPYZBHG-PIKOESSRSA-N 2 1 349.519 1.219 20 0 EDADMP CCOC(=O)N1CCC([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000497284624 448037649 /nfs/dbraw/zinc/03/76/49/448037649.db2.gz HRSUDBWTTWCEMO-HNNXBMFYSA-N 2 1 327.469 1.698 20 0 EDADMP CCOC(=O)N1CCC([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000497284624 448037652 /nfs/dbraw/zinc/03/76/52/448037652.db2.gz HRSUDBWTTWCEMO-HNNXBMFYSA-N 2 1 327.469 1.698 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1nn[nH]n1 ZINC000556812878 448159854 /nfs/dbraw/zinc/15/98/54/448159854.db2.gz ZKVZKLFAPYHOOO-CQSZACIVSA-N 2 1 343.435 1.029 20 0 EDADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1nnn[n-]1 ZINC000556812878 448159859 /nfs/dbraw/zinc/15/98/59/448159859.db2.gz ZKVZKLFAPYHOOO-CQSZACIVSA-N 2 1 343.435 1.029 20 0 EDADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C2CC[NH+](C)CC2)s1 ZINC000576724982 448126905 /nfs/dbraw/zinc/12/69/05/448126905.db2.gz TYUQZONURWYMTL-MNOVXSKESA-N 2 1 325.482 1.747 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000526995650 448133782 /nfs/dbraw/zinc/13/37/82/448133782.db2.gz CGAJDIWCBSULGY-OAHLLOKOSA-N 2 1 342.447 1.531 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000526995650 448133785 /nfs/dbraw/zinc/13/37/85/448133785.db2.gz CGAJDIWCBSULGY-OAHLLOKOSA-N 2 1 342.447 1.531 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000527113395 448162091 /nfs/dbraw/zinc/16/20/91/448162091.db2.gz ZPCVADPPDANJON-IBGZPJMESA-N 2 1 331.460 1.224 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000576799241 448140323 /nfs/dbraw/zinc/14/03/23/448140323.db2.gz IZOBEIKGTWVIEG-AEFFLSMTSA-N 2 1 345.491 1.603 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCN1CCc2sccc2C1 ZINC000556724971 448146814 /nfs/dbraw/zinc/14/68/14/448146814.db2.gz YWICRDGWWSROBF-HNNXBMFYSA-N 2 1 336.505 1.842 20 0 EDADMP CC[C@H]1CN(C)CCN1C(=O)NCCN1CCc2sccc2C1 ZINC000556724971 448146820 /nfs/dbraw/zinc/14/68/20/448146820.db2.gz YWICRDGWWSROBF-HNNXBMFYSA-N 2 1 336.505 1.842 20 0 EDADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000497084278 448185346 /nfs/dbraw/zinc/18/53/46/448185346.db2.gz TTZYUQGRKFRECZ-OAHLLOKOSA-N 2 1 340.512 1.611 20 0 EDADMP Cn1nccc1[C@H]1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC(=O)N1C ZINC000497096248 448195790 /nfs/dbraw/zinc/19/57/90/448195790.db2.gz WYGMMFNUPLGSKX-OIPACUDHSA-N 2 1 331.464 1.298 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2(COC)CC[NH2+]CC2)C[C@H]1C ZINC000571746801 448197732 /nfs/dbraw/zinc/19/77/32/448197732.db2.gz XDQPEUXMCUMKLL-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH3+])CCC3)cc2)C1 ZINC000571757318 448200550 /nfs/dbraw/zinc/20/05/50/448200550.db2.gz BRIWCJWIALLBNR-AWEZNQCLSA-N 2 1 330.432 1.204 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000571777536 448205809 /nfs/dbraw/zinc/20/58/09/448205809.db2.gz VTCWLDZVYKZPNB-NJAFHUGGSA-N 2 1 346.475 1.327 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000514590546 448167148 /nfs/dbraw/zinc/16/71/48/448167148.db2.gz ZBZXZAYGAOITHD-OKZBNKHCSA-N 2 1 330.476 1.997 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000571928591 448238432 /nfs/dbraw/zinc/23/84/32/448238432.db2.gz FNRLEQLSRLVDHQ-MRXNPFEDSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000577120859 448214395 /nfs/dbraw/zinc/21/43/95/448214395.db2.gz CGNSRJJEOREFSU-KRWDZBQOSA-N 2 1 345.491 1.052 20 0 EDADMP Cc1ncc2n1CC[C@H](C(=O)N[C@H]1C[N@H+](C)C[C@H]1c1ccccc1)C2 ZINC000577252248 448246864 /nfs/dbraw/zinc/24/68/64/448246864.db2.gz YJLLKDCNMBEIBO-WDSOQIARSA-N 2 1 338.455 1.968 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1C[N@H+](C)C[C@H]1c1ccccc1)C2 ZINC000577252248 448246871 /nfs/dbraw/zinc/24/68/71/448246871.db2.gz YJLLKDCNMBEIBO-WDSOQIARSA-N 2 1 338.455 1.968 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000515053455 448250104 /nfs/dbraw/zinc/25/01/04/448250104.db2.gz DKNYLAYVJATPFK-WSTZPKSXSA-N 2 1 343.471 1.393 20 0 EDADMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CCOCC1 ZINC000532507021 448268105 /nfs/dbraw/zinc/26/81/05/448268105.db2.gz BLDSSVBSCCOVFP-QGZVFWFLSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000577355661 448271810 /nfs/dbraw/zinc/27/18/10/448271810.db2.gz VBXFMRLLLNHGQL-BZUAXINKSA-N 2 1 326.485 1.302 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)Nc1cccc2c1CC[NH2+]C2 ZINC000571983111 448253353 /nfs/dbraw/zinc/25/33/53/448253353.db2.gz QPORZCVBYTUUHX-HNNXBMFYSA-N 2 1 332.448 1.301 20 0 EDADMP O=C(NCC1CC[NH2+]CC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000582535691 448265805 /nfs/dbraw/zinc/26/58/05/448265805.db2.gz YFOOXAWFMRKEBR-SFHVURJKSA-N 2 1 330.476 1.950 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1C ZINC000591282788 448306394 /nfs/dbraw/zinc/30/63/94/448306394.db2.gz QZSIBJJFQMYSPT-HNNXBMFYSA-N 2 1 334.464 1.827 20 0 EDADMP C[C@H](Cc1cnc[nH]1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000572177006 448307292 /nfs/dbraw/zinc/30/72/92/448307292.db2.gz MWNPIUBKVITTEV-OAHLLOKOSA-N 2 1 334.464 1.740 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000577486489 448309602 /nfs/dbraw/zinc/30/96/02/448309602.db2.gz ZBVVVRCLEJKIOT-AWEZNQCLSA-N 2 1 326.391 1.415 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000515523271 448326503 /nfs/dbraw/zinc/32/65/03/448326503.db2.gz WDTYOFQWKGMXKE-QGZVFWFLSA-N 2 1 346.475 1.665 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000582794953 448343649 /nfs/dbraw/zinc/34/36/49/448343649.db2.gz KBZDJYBSEMAYIO-GDBMZVCRSA-N 2 1 325.840 1.126 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000582794953 448343653 /nfs/dbraw/zinc/34/36/53/448343653.db2.gz KBZDJYBSEMAYIO-GDBMZVCRSA-N 2 1 325.840 1.126 20 0 EDADMP CC(=O)N1CCC(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC000516206992 448398175 /nfs/dbraw/zinc/39/81/75/448398175.db2.gz KPCIQQZOUKFNDP-UHFFFAOYSA-N 2 1 345.447 1.030 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])n1C ZINC000566192037 448410243 /nfs/dbraw/zinc/41/02/43/448410243.db2.gz HKOAFXYTXVSASM-INIZCTEOSA-N 2 1 342.447 1.254 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn2ncccc12 ZINC000572441151 448378074 /nfs/dbraw/zinc/37/80/74/448378074.db2.gz DJTVSBXNQFRTNV-OAHLLOKOSA-N 2 1 344.463 1.217 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](Nc3ccccc3)C2)C1 ZINC000578166899 448476090 /nfs/dbraw/zinc/47/60/90/448476090.db2.gz CAMVMTRBIBHXOJ-AEFFLSMTSA-N 2 1 330.476 1.760 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCOC[C@@H]3C)CC2)CC1 ZINC000566449763 448477319 /nfs/dbraw/zinc/47/73/19/448477319.db2.gz RQQQDECFVGOJPC-YJBOKZPZSA-N 2 1 337.508 1.724 20 0 EDADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)NCC1CC[NH2+]CC1 ZINC000516916534 448495320 /nfs/dbraw/zinc/49/53/20/448495320.db2.gz QBYYLDNOQGHIKT-GOSISDBHSA-N 2 1 346.475 1.052 20 0 EDADMP O=C(C[N@@H+]1CCC[C@H](n2ccnc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000591866808 448511132 /nfs/dbraw/zinc/51/11/32/448511132.db2.gz GCLYBXYHABZALO-KRWDZBQOSA-N 2 1 331.464 1.263 20 0 EDADMP O=C(C[N@H+]1CCC[C@H](n2ccnc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000591866808 448511134 /nfs/dbraw/zinc/51/11/34/448511134.db2.gz GCLYBXYHABZALO-KRWDZBQOSA-N 2 1 331.464 1.263 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)N3CC[NH2+]CC3)CC[N@H+]2C2CC2)c1 ZINC000584400211 448511379 /nfs/dbraw/zinc/51/13/79/448511379.db2.gz JTBHZEMZFUDDLJ-ZWKOTPCHSA-N 2 1 344.459 1.588 20 0 EDADMP OCC1(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)COC1 ZINC000536486550 448527364 /nfs/dbraw/zinc/52/73/64/448527364.db2.gz XPOCZFFCMBSUTK-UHFFFAOYSA-N 2 1 330.472 1.983 20 0 EDADMP COCC[NH2+]CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000566680607 448536929 /nfs/dbraw/zinc/53/69/29/448536929.db2.gz JRPNLUOFBLBXTJ-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CCN4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000584470477 448539036 /nfs/dbraw/zinc/53/90/36/448539036.db2.gz BZZJUAAOJAAIHH-NHCUHLMSSA-N 2 1 342.531 1.878 20 0 EDADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCN4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000584470477 448539038 /nfs/dbraw/zinc/53/90/38/448539038.db2.gz BZZJUAAOJAAIHH-NHCUHLMSSA-N 3 1 342.531 1.878 20 0 EDADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCN4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000584470477 448539042 /nfs/dbraw/zinc/53/90/42/448539042.db2.gz BZZJUAAOJAAIHH-NHCUHLMSSA-N 3 1 342.531 1.878 20 0 EDADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCN4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000584470477 448539048 /nfs/dbraw/zinc/53/90/48/448539048.db2.gz BZZJUAAOJAAIHH-NHCUHLMSSA-N 3 1 342.531 1.878 20 0 EDADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCN4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000584470477 448539050 /nfs/dbraw/zinc/53/90/50/448539050.db2.gz BZZJUAAOJAAIHH-NHCUHLMSSA-N 3 1 342.531 1.878 20 0 EDADMP CCN1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cn2)CC1 ZINC000518164315 448650044 /nfs/dbraw/zinc/65/00/44/448650044.db2.gz MMPPJHDZJGQHQA-MSOLQXFVSA-N 2 1 331.508 1.831 20 0 EDADMP COc1ccc2c(c1)C[C@H]([NH2+]Cc1nnc(C3CC[NH2+]CC3)[nH]1)CO2 ZINC000567261803 448652906 /nfs/dbraw/zinc/65/29/06/448652906.db2.gz OAAVNQBJJPNJLL-AWEZNQCLSA-N 2 1 343.431 1.374 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)CN1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000567358984 448675633 /nfs/dbraw/zinc/67/56/33/448675633.db2.gz DJZJVIZKZGRULP-SFHVURJKSA-N 2 1 332.492 1.466 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000584783033 448631392 /nfs/dbraw/zinc/63/13/92/448631392.db2.gz JJDFDFQPFMCHFF-VVLHAWIVSA-N 2 1 327.513 1.859 20 0 EDADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C[C@@H](C)C1 ZINC000567209425 448636218 /nfs/dbraw/zinc/63/62/18/448636218.db2.gz AMKCKPNWUAYOSZ-CFAJVAMVSA-N 2 1 331.464 1.639 20 0 EDADMP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)C[C@@H](C)C1 ZINC000567209425 448636222 /nfs/dbraw/zinc/63/62/22/448636222.db2.gz AMKCKPNWUAYOSZ-CFAJVAMVSA-N 2 1 331.464 1.639 20 0 EDADMP C[C@H]([NH2+][C@@H]1COCC1(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567456202 448696795 /nfs/dbraw/zinc/69/67/95/448696795.db2.gz ZSAQFZONYNFRCD-CGTJXYLNSA-N 2 1 345.487 1.780 20 0 EDADMP CC[NH2+]CCNC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000567595973 448720580 /nfs/dbraw/zinc/72/05/80/448720580.db2.gz QZTOIXMXZUKHNK-DOTOQJQBSA-N 2 1 334.464 1.185 20 0 EDADMP CC[NH2+]CCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000567595973 448720583 /nfs/dbraw/zinc/72/05/83/448720583.db2.gz QZTOIXMXZUKHNK-DOTOQJQBSA-N 2 1 334.464 1.185 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000567681942 448737460 /nfs/dbraw/zinc/73/74/60/448737460.db2.gz BOOOZLYDBCVWBD-MSOLQXFVSA-N 2 1 333.476 1.122 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000567681942 448737462 /nfs/dbraw/zinc/73/74/62/448737462.db2.gz BOOOZLYDBCVWBD-MSOLQXFVSA-N 2 1 333.476 1.122 20 0 EDADMP CC(C)n1cc(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cn1 ZINC000519130889 448744596 /nfs/dbraw/zinc/74/45/96/448744596.db2.gz QVCJLVJPALFIDL-UHFFFAOYSA-N 2 1 336.484 1.954 20 0 EDADMP CC(C)n1cc(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cn1 ZINC000519130889 448744601 /nfs/dbraw/zinc/74/46/01/448744601.db2.gz QVCJLVJPALFIDL-UHFFFAOYSA-N 2 1 336.484 1.954 20 0 EDADMP CCC[N@@H+](C)CC(=O)N1CCCN(Cc2nccn2C(C)C)CC1 ZINC000519332845 448759655 /nfs/dbraw/zinc/75/96/55/448759655.db2.gz JJRGEYHAIJWDOE-UHFFFAOYSA-N 2 1 335.496 1.840 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)C1CC1 ZINC000579472986 448801810 /nfs/dbraw/zinc/80/18/10/448801810.db2.gz AGRHABXPCWEDKF-DZGCQCFKSA-N 2 1 328.403 1.161 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)C1CC1 ZINC000579472986 448801813 /nfs/dbraw/zinc/80/18/13/448801813.db2.gz AGRHABXPCWEDKF-DZGCQCFKSA-N 2 1 328.403 1.161 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](c2cccnc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000574153818 448802085 /nfs/dbraw/zinc/80/20/85/448802085.db2.gz GTTNWKCYKYZULX-MRXNPFEDSA-N 2 1 328.460 1.614 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000568051623 448807163 /nfs/dbraw/zinc/80/71/63/448807163.db2.gz UJDLZRKTVHZFQE-YJBOKZPZSA-N 2 1 329.448 1.622 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000574200257 448815193 /nfs/dbraw/zinc/81/51/93/448815193.db2.gz OTNICKXBZMEFLR-WMZOPIPTSA-N 2 1 338.540 1.816 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](C)CCO)CC2)CC1 ZINC000568196080 448833012 /nfs/dbraw/zinc/83/30/12/448833012.db2.gz YYLZRZLBKRIRSB-OAHLLOKOSA-N 2 1 325.497 1.317 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000529355803 448838484 /nfs/dbraw/zinc/83/84/84/448838484.db2.gz HDNRZNAUQALTNH-OAHLLOKOSA-N 2 1 329.448 1.506 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529375306 448847206 /nfs/dbraw/zinc/84/72/06/448847206.db2.gz PUAKWXBDQCJKKY-SFHVURJKSA-N 2 1 346.475 1.201 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)COCC(F)F)CC2)CC1 ZINC000529496695 448882162 /nfs/dbraw/zinc/88/21/62/448882162.db2.gz CJMFUFXKMHBVMU-UHFFFAOYSA-N 2 1 333.423 1.287 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)COCC(F)F)CC2)CC1 ZINC000529496695 448882164 /nfs/dbraw/zinc/88/21/64/448882164.db2.gz CJMFUFXKMHBVMU-UHFFFAOYSA-N 2 1 333.423 1.287 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000568822956 448921579 /nfs/dbraw/zinc/92/15/79/448921579.db2.gz UXLIPEIODLLWMM-ICSRJNTNSA-N 2 1 347.503 1.716 20 0 EDADMP C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000547787141 448929175 /nfs/dbraw/zinc/92/91/75/448929175.db2.gz JIXVFRFPSMVJRA-RYQLBKOJSA-N 2 1 333.476 1.498 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[N@H+]1Cc1ccccc1 ZINC000520771054 448929254 /nfs/dbraw/zinc/92/92/54/448929254.db2.gz MAERAQGEPZWKBC-XXQMMXQMSA-N 2 1 342.487 1.804 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000574504369 448888033 /nfs/dbraw/zinc/88/80/33/448888033.db2.gz CXQUXPQAJDVKJU-MAUKXSAKSA-N 2 1 330.476 1.905 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000521258557 448968817 /nfs/dbraw/zinc/96/88/17/448968817.db2.gz AKMLAJOKFWKIIR-DOTOQJQBSA-N 2 1 348.491 1.939 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000521258557 448968821 /nfs/dbraw/zinc/96/88/21/448968821.db2.gz AKMLAJOKFWKIIR-DOTOQJQBSA-N 2 1 348.491 1.939 20 0 EDADMP CCCN(CCO)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000569501186 449035062 /nfs/dbraw/zinc/03/50/62/449035062.db2.gz MQVNNAWOAOUROJ-UHFFFAOYSA-N 2 1 325.497 1.414 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2N2CCOCC2)CC12CCOCC2 ZINC000582181359 449032396 /nfs/dbraw/zinc/03/23/96/449032396.db2.gz STYAZYXFHYSSEZ-GOSISDBHSA-N 2 1 345.487 1.711 20 0 EDADMP C[C@H]1CN(C(=O)N[C@H]2CCn3ccnc3C2)CC[N@H+](C2CCC2)C1 ZINC000582038663 448994038 /nfs/dbraw/zinc/99/40/38/448994038.db2.gz CMGBHIZCHDBCHI-CABCVRRESA-N 2 1 331.464 1.714 20 0 EDADMP COc1ccc([C@@H](C[NH3+])CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239865 449090822 /nfs/dbraw/zinc/09/08/22/449090822.db2.gz ILTYJRZPGCULGC-ICSRJNTNSA-N 2 1 347.503 1.828 20 0 EDADMP COc1ccc([C@@H](CN)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239865 449090826 /nfs/dbraw/zinc/09/08/26/449090826.db2.gz ILTYJRZPGCULGC-ICSRJNTNSA-N 2 1 347.503 1.828 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1CNCc1cccc(NS(C)(=O)=O)c1 ZINC000590073846 449104124 /nfs/dbraw/zinc/10/41/24/449104124.db2.gz PHJZSLUNQUOPSN-MRXNPFEDSA-N 2 1 341.477 1.259 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNCc1cccc(NS(C)(=O)=O)c1 ZINC000590073846 449104128 /nfs/dbraw/zinc/10/41/28/449104128.db2.gz PHJZSLUNQUOPSN-MRXNPFEDSA-N 2 1 341.477 1.259 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000593733361 449168328 /nfs/dbraw/zinc/16/83/28/449168328.db2.gz LUVYVJYJSYQCEX-XJKSGUPXSA-N 2 1 348.447 1.793 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000593733361 449168329 /nfs/dbraw/zinc/16/83/29/449168329.db2.gz LUVYVJYJSYQCEX-XJKSGUPXSA-N 2 1 348.447 1.793 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC000602120174 449360481 /nfs/dbraw/zinc/36/04/81/449360481.db2.gz MRHNLKGKQKMWFL-QGZVFWFLSA-N 2 1 338.540 1.591 20 0 EDADMP C[NH+]1CCC(CCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000590873522 449328875 /nfs/dbraw/zinc/32/88/75/449328875.db2.gz GGDNCWKSCFLVPP-QGZVFWFLSA-N 2 1 338.496 1.225 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000616994710 449421017 /nfs/dbraw/zinc/42/10/17/449421017.db2.gz DERDULMGVXSHMF-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000616994710 449421022 /nfs/dbraw/zinc/42/10/22/449421022.db2.gz DERDULMGVXSHMF-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000606632895 449493952 /nfs/dbraw/zinc/49/39/52/449493952.db2.gz XEQIUAFLTQJQGC-OWCLPIDISA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CCCC[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000607033248 449563083 /nfs/dbraw/zinc/56/30/83/449563083.db2.gz MSTLGKBWJQMXEI-BBWFWOEESA-N 2 1 327.513 1.920 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CCCC[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000607033248 449563090 /nfs/dbraw/zinc/56/30/90/449563090.db2.gz MSTLGKBWJQMXEI-BBWFWOEESA-N 2 1 327.513 1.920 20 0 EDADMP COC(=O)c1cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(C)o1 ZINC000594617725 449595151 /nfs/dbraw/zinc/59/51/51/449595151.db2.gz XVFYGQKCPWZAQO-UHFFFAOYSA-N 2 1 337.464 1.738 20 0 EDADMP O[C@@]1(C[NH2+]C[C@@H]2CNc3ccnn3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366811 449604706 /nfs/dbraw/zinc/60/47/06/449604706.db2.gz VULMDWYCDVLRHY-IEBWSBKVSA-N 2 1 341.459 1.151 20 0 EDADMP O[C@@]1(C[NH2+]C[C@@H]2CNc3ccnn3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366811 449604709 /nfs/dbraw/zinc/60/47/09/449604709.db2.gz VULMDWYCDVLRHY-IEBWSBKVSA-N 2 1 341.459 1.151 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH+](C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607405424 449609587 /nfs/dbraw/zinc/60/95/87/449609587.db2.gz YDCHMTUXCFNCHG-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH+](C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607405424 449609593 /nfs/dbraw/zinc/60/95/93/449609593.db2.gz YDCHMTUXCFNCHG-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000607409773 449611327 /nfs/dbraw/zinc/61/13/27/449611327.db2.gz MISFOEKDGDIREC-MJGOQNOKSA-N 2 1 346.475 1.017 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000607409773 449611336 /nfs/dbraw/zinc/61/13/36/449611336.db2.gz MISFOEKDGDIREC-MJGOQNOKSA-N 2 1 346.475 1.017 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000607409773 449611345 /nfs/dbraw/zinc/61/13/45/449611345.db2.gz MISFOEKDGDIREC-MJGOQNOKSA-N 2 1 346.475 1.017 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602469259 449615795 /nfs/dbraw/zinc/61/57/95/449615795.db2.gz SHEHKLXMUUFHOR-NPMXOYFQSA-N 2 1 343.537 1.258 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(NC2CC2)nc1 ZINC000617504563 449650625 /nfs/dbraw/zinc/65/06/25/449650625.db2.gz AFTSDXQJTXXUGE-AWEZNQCLSA-N 2 1 333.480 1.658 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(NC2CC2)nc1 ZINC000617504563 449650630 /nfs/dbraw/zinc/65/06/30/449650630.db2.gz AFTSDXQJTXXUGE-AWEZNQCLSA-N 2 1 333.480 1.658 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1COc2ccccc2O1 ZINC000617508233 449658713 /nfs/dbraw/zinc/65/87/13/449658713.db2.gz YVDCXVQQBFWFCM-JKSUJKDBSA-N 2 1 349.475 1.605 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1COc2ccccc2O1 ZINC000617508233 449658718 /nfs/dbraw/zinc/65/87/18/449658718.db2.gz YVDCXVQQBFWFCM-JKSUJKDBSA-N 2 1 349.475 1.605 20 0 EDADMP C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617503309 449646391 /nfs/dbraw/zinc/64/63/91/449646391.db2.gz DKUDEBMXONNDSP-LSDHHAIUSA-N 2 1 339.455 1.981 20 0 EDADMP C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617503309 449646397 /nfs/dbraw/zinc/64/63/97/449646397.db2.gz DKUDEBMXONNDSP-LSDHHAIUSA-N 2 1 339.455 1.981 20 0 EDADMP COc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1OC ZINC000617503433 449647222 /nfs/dbraw/zinc/64/72/22/449647222.db2.gz IZRDTLKQBOIMBI-AWEZNQCLSA-N 2 1 337.464 1.706 20 0 EDADMP COc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1OC ZINC000617503433 449647228 /nfs/dbraw/zinc/64/72/28/449647228.db2.gz IZRDTLKQBOIMBI-AWEZNQCLSA-N 2 1 337.464 1.706 20 0 EDADMP CC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000617503244 449647432 /nfs/dbraw/zinc/64/74/32/449647432.db2.gz ASAFRLRHUFCYJT-AWEZNQCLSA-N 2 1 334.464 1.647 20 0 EDADMP CC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617503244 449647436 /nfs/dbraw/zinc/64/74/36/449647436.db2.gz ASAFRLRHUFCYJT-AWEZNQCLSA-N 2 1 334.464 1.647 20 0 EDADMP CN(C(=O)NCCc1cn2c(n1)CCCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000601253771 449777197 /nfs/dbraw/zinc/77/71/97/449777197.db2.gz DHHXHKBZPVFBSQ-MRXNPFEDSA-N 2 1 331.464 1.640 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000594942080 449814766 /nfs/dbraw/zinc/81/47/66/449814766.db2.gz WIBRMWNJKFJNJP-APHBMKBZSA-N 2 1 332.448 1.849 20 0 EDADMP CC[C@@H](C)[C@@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2)C(=O)OC ZINC000602877015 449885514 /nfs/dbraw/zinc/88/55/14/449885514.db2.gz KAZRSUNXLIYEEL-GDBMZVCRSA-N 2 1 339.480 1.108 20 0 EDADMP C[C@]1(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000612902544 449933608 /nfs/dbraw/zinc/93/36/08/449933608.db2.gz BPKOCIQNBZTJEH-MJGOQNOKSA-N 2 1 346.475 1.329 20 0 EDADMP C[C@]1(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000612902541 449933969 /nfs/dbraw/zinc/93/39/69/449933969.db2.gz BPKOCIQNBZTJEH-HKUYNNGSSA-N 2 1 346.475 1.329 20 0 EDADMP COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000602945858 449947458 /nfs/dbraw/zinc/94/74/58/449947458.db2.gz RXHBGQSZRQYLDC-WMZOPIPTSA-N 2 1 341.496 1.055 20 0 EDADMP COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000602945858 449947461 /nfs/dbraw/zinc/94/74/61/449947461.db2.gz RXHBGQSZRQYLDC-WMZOPIPTSA-N 2 1 341.496 1.055 20 0 EDADMP C[C@@]1(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000612871672 449919665 /nfs/dbraw/zinc/91/96/65/449919665.db2.gz BVCQXEZCGAHWRH-GOSISDBHSA-N 2 1 332.448 1.070 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@]3(C)CC[NH2+]C3)c2)CCO1 ZINC000612873210 449920405 /nfs/dbraw/zinc/92/04/05/449920405.db2.gz ZIJITMQVDMLOFP-HNAYVOBHSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@]3(C)CC[NH2+]C3)c2)CCO1 ZINC000612873210 449920407 /nfs/dbraw/zinc/92/04/07/449920407.db2.gz ZIJITMQVDMLOFP-HNAYVOBHSA-N 2 1 346.475 1.459 20 0 EDADMP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc4[nH]c5c(c4c3)C[NH+](C)CC5)[C@H]2C1 ZINC000615186124 449993845 /nfs/dbraw/zinc/99/38/45/449993845.db2.gz YCTYJQDAXDTUER-KUHUBIRLSA-N 2 1 338.455 1.932 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)c3ccc4[nH]c5c(c4c3)C[NH+](C)CC5)[C@H]2C1 ZINC000615186124 449993850 /nfs/dbraw/zinc/99/38/50/449993850.db2.gz YCTYJQDAXDTUER-KUHUBIRLSA-N 2 1 338.455 1.932 20 0 EDADMP C[NH+]1C[C@H]2CCN(C(=O)c3ccc4[nH]c5c(c4c3)C[N@H+](C)CC5)[C@H]2C1 ZINC000615186124 449993853 /nfs/dbraw/zinc/99/38/53/449993853.db2.gz YCTYJQDAXDTUER-KUHUBIRLSA-N 2 1 338.455 1.932 20 0 EDADMP C[NH+]1C[C@H]2CCN(C(=O)c3ccc4[nH]c5c(c4c3)C[N@@H+](C)CC5)[C@H]2C1 ZINC000615186124 449993856 /nfs/dbraw/zinc/99/38/56/449993856.db2.gz YCTYJQDAXDTUER-KUHUBIRLSA-N 2 1 338.455 1.932 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3C[C@@H]4CCCC[C@H]4NC3=O)C2)CC1 ZINC000595338178 450051881 /nfs/dbraw/zinc/05/18/81/450051881.db2.gz MHLJJRGYJFFAIY-WJFTUGDTSA-N 2 1 348.535 1.534 20 0 EDADMP COc1cncc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000625326341 450293052 /nfs/dbraw/zinc/29/30/52/450293052.db2.gz SNFFZZVPOCHALB-UHFFFAOYSA-N 2 1 333.480 1.335 20 0 EDADMP CSC1(CNC(=O)N2CC[N@@H+](C)C(C)(C)C2)CC[NH+](C)CC1 ZINC000603431578 450300213 /nfs/dbraw/zinc/30/02/13/450300213.db2.gz LYHMLICRSATPCT-UHFFFAOYSA-N 2 1 328.526 1.549 20 0 EDADMP C[N@@H+](CCOC1CCOCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000625343946 450305338 /nfs/dbraw/zinc/30/53/38/450305338.db2.gz ODZKABINZLXGHN-HXUWFJFHSA-N 2 1 348.487 1.751 20 0 EDADMP CN(CCOC1CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000625343946 450305344 /nfs/dbraw/zinc/30/53/44/450305344.db2.gz ODZKABINZLXGHN-HXUWFJFHSA-N 2 1 348.487 1.751 20 0 EDADMP CN(CCOC1CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000625343946 450305348 /nfs/dbraw/zinc/30/53/48/450305348.db2.gz ODZKABINZLXGHN-HXUWFJFHSA-N 2 1 348.487 1.751 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000619479846 450485282 /nfs/dbraw/zinc/48/52/82/450485282.db2.gz YMCSNLPZIYIVPQ-UHFFFAOYSA-N 2 1 346.431 1.003 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000620772041 450541419 /nfs/dbraw/zinc/54/14/19/450541419.db2.gz KVMLVVVHQIXZFK-FUHWJXTLSA-N 2 1 331.460 1.345 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623632420 450555726 /nfs/dbraw/zinc/55/57/26/450555726.db2.gz ZWQOXGAFMPQBTB-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP c1cc(CN2CCO[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)ccn1 ZINC000623782001 450582851 /nfs/dbraw/zinc/58/28/51/450582851.db2.gz FQQCWASVNUVEAD-CEXWTWQISA-N 2 1 330.476 1.499 20 0 EDADMP COc1cc(Br)c(C[NH2+]CCOCCC[NH3+])c(OC)c1 ZINC000629401463 450651062 /nfs/dbraw/zinc/65/10/62/450651062.db2.gz QMPCTFQFBGRPDV-UHFFFAOYSA-N 2 1 347.253 1.921 20 0 EDADMP C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000624018556 450672626 /nfs/dbraw/zinc/67/26/26/450672626.db2.gz TYIMVHXKILPCMQ-RHSMWYFYSA-N 2 1 332.448 1.745 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H]2CCn3cc(C)nc3C2)CC[N@H+]1CCOC ZINC000626320132 450685581 /nfs/dbraw/zinc/68/55/81/450685581.db2.gz LTRPPRAPUMKENP-DLBZAZTESA-N 2 1 348.491 1.713 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H]2CCn3cc(C)nc3C2)CCN1CCOC ZINC000626320132 450685582 /nfs/dbraw/zinc/68/55/82/450685582.db2.gz LTRPPRAPUMKENP-DLBZAZTESA-N 2 1 348.491 1.713 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)Nc2cccc(C[NH+]3CC[C@H](O)C3)c2)CC[N@H+]1C ZINC000633157456 450716764 /nfs/dbraw/zinc/71/67/64/450716764.db2.gz QWMDOPGJRPQCMC-OKZBNKHCSA-N 2 1 331.460 1.922 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC[NH+]1C ZINC000633157456 450716767 /nfs/dbraw/zinc/71/67/67/450716767.db2.gz QWMDOPGJRPQCMC-OKZBNKHCSA-N 2 1 331.460 1.922 20 0 EDADMP O=C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc2c(c1)OCCO2 ZINC000629551976 450732334 /nfs/dbraw/zinc/73/23/34/450732334.db2.gz YWMHTMCUTWMIKM-OWCLPIDISA-N 2 1 345.443 1.907 20 0 EDADMP O=C(Nc1ccccc1)N1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629579032 450746134 /nfs/dbraw/zinc/74/61/34/450746134.db2.gz YNZIKJULQCFERW-IRXDYDNUSA-N 2 1 332.448 1.339 20 0 EDADMP COC[C@@H](C)[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000629590424 450753132 /nfs/dbraw/zinc/75/31/32/450753132.db2.gz ZBHRMTMNEFJFHD-VQIMIIECSA-N 2 1 345.487 1.833 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)[C@@H]2CCC[C@H]21 ZINC000624261799 450768597 /nfs/dbraw/zinc/76/85/97/450768597.db2.gz BHXGQEAERORTFW-HRCADAONSA-N 2 1 345.443 1.859 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)[C@@H]2CCC[C@H]21 ZINC000624261799 450768602 /nfs/dbraw/zinc/76/86/02/450768602.db2.gz BHXGQEAERORTFW-HRCADAONSA-N 2 1 345.443 1.859 20 0 EDADMP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C[NH3+] ZINC000631838973 450807130 /nfs/dbraw/zinc/80/71/30/450807130.db2.gz XTIPTOMRGSWKNR-VQIMIIECSA-N 3 1 344.503 1.425 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C[NH3+] ZINC000631838973 450807135 /nfs/dbraw/zinc/80/71/35/450807135.db2.gz XTIPTOMRGSWKNR-VQIMIIECSA-N 3 1 344.503 1.425 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3C[C@H]([NH3+])C[C@@H]3C)CC2)cc1 ZINC000631862867 450831882 /nfs/dbraw/zinc/83/18/82/450831882.db2.gz USALPXSSTFXSJU-PKOBYXMFSA-N 2 1 344.503 1.451 20 0 EDADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1CCC[N@@H+](Cc3cccnc3)C1)C2 ZINC000621693087 450836706 /nfs/dbraw/zinc/83/67/06/450836706.db2.gz TZHFBBZVCQYCDD-SCTDSRPQSA-N 2 1 328.460 1.633 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)CC1C[NH+](C)C1 ZINC000633417147 450839514 /nfs/dbraw/zinc/83/95/14/450839514.db2.gz MLPNRMUZWNYQIW-VQIMIIECSA-N 2 1 344.503 1.958 20 0 EDADMP Cc1ccc([C@H](CNS(=O)(=O)CCC[NH+](C)C)[NH+](C)C)cc1 ZINC000631812774 450791792 /nfs/dbraw/zinc/79/17/92/450791792.db2.gz MEBWGMTVCPXXSY-INIZCTEOSA-N 2 1 327.494 1.469 20 0 EDADMP C[C@H](C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)[NH+]1CCSCC1 ZINC000627740247 450910021 /nfs/dbraw/zinc/91/00/21/450910021.db2.gz HQUNRPIOKBNZMY-OAHLLOKOSA-N 2 1 341.521 1.137 20 0 EDADMP C[C@H](C(=O)N1CCC([N@H+]2CCCOCC2)CC1)[NH+]1CCSCC1 ZINC000627740247 450910025 /nfs/dbraw/zinc/91/00/25/450910025.db2.gz HQUNRPIOKBNZMY-OAHLLOKOSA-N 2 1 341.521 1.137 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CCC1 ZINC000629956700 450915263 /nfs/dbraw/zinc/91/52/63/450915263.db2.gz ANHHDBRKHLFAIH-UHFFFAOYSA-N 2 1 345.487 1.744 20 0 EDADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000635445195 450947560 /nfs/dbraw/zinc/94/75/60/450947560.db2.gz CILKTZCHENUHRH-ROUUACIJSA-N 2 1 335.492 1.620 20 0 EDADMP C[N@@H+](CC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1)CC(C)(C)C ZINC000635534729 451030508 /nfs/dbraw/zinc/03/05/08/451030508.db2.gz HUKSXAMGMWPRBZ-QGZVFWFLSA-N 2 1 338.540 1.593 20 0 EDADMP C[NH+](CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)CC(C)(C)C ZINC000635534729 451030511 /nfs/dbraw/zinc/03/05/11/451030511.db2.gz HUKSXAMGMWPRBZ-QGZVFWFLSA-N 2 1 338.540 1.593 20 0 EDADMP C[NH+](CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)CC(C)(C)C ZINC000635534729 451030514 /nfs/dbraw/zinc/03/05/14/451030514.db2.gz HUKSXAMGMWPRBZ-QGZVFWFLSA-N 2 1 338.540 1.593 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635559698 451057940 /nfs/dbraw/zinc/05/79/40/451057940.db2.gz HURLCBVYZXJCFT-UHFFFAOYSA-N 2 1 336.524 1.396 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635561293 451059337 /nfs/dbraw/zinc/05/93/37/451059337.db2.gz CZWCPZCJEQLKRQ-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCCOCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000626995512 451060561 /nfs/dbraw/zinc/06/05/61/451060561.db2.gz VPPQNJPIXFIOKK-AEFFLSMTSA-N 2 1 348.491 1.704 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000626997543 451062973 /nfs/dbraw/zinc/06/29/73/451062973.db2.gz AMHFZLLLQCQKGV-NVXWUHKLSA-N 2 1 334.464 1.185 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000627011584 451075565 /nfs/dbraw/zinc/07/55/65/451075565.db2.gz DZCUGECSAVTRJY-GJZGRUSLSA-N 2 1 326.485 1.175 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000627013755 451078229 /nfs/dbraw/zinc/07/82/29/451078229.db2.gz RDHYPNJDENAGBX-WMZOPIPTSA-N 2 1 348.491 1.384 20 0 EDADMP [NH3+]CCCOCCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627023485 451086950 /nfs/dbraw/zinc/08/69/50/451086950.db2.gz VTNFTSLLHHTIJP-QGZVFWFLSA-N 2 1 334.464 1.173 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635678147 451161971 /nfs/dbraw/zinc/16/19/71/451161971.db2.gz ZKHLVJAZKNCBAA-MRXNPFEDSA-N 2 1 325.497 1.439 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(C[NH+](C)C)nc2)CCCO1 ZINC000622556830 451169487 /nfs/dbraw/zinc/16/94/87/451169487.db2.gz QNCQVPZKSXSGNR-OAHLLOKOSA-N 2 1 334.464 1.374 20 0 EDADMP COC[C@]1(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCCC[NH2+]1 ZINC000638083422 451248430 /nfs/dbraw/zinc/24/84/30/451248430.db2.gz LNHFNDUZHVYQAW-HPFXQQBRSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638084996 451249357 /nfs/dbraw/zinc/24/93/57/451249357.db2.gz WIEUOJJDAULRCT-AYBZRNKSSA-N 2 1 331.460 1.694 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)c2oc(C[NH3+])cc2C)[C@@H](C)C1 ZINC000638118270 451286557 /nfs/dbraw/zinc/28/65/57/451286557.db2.gz WJQLECZNKFEYJG-GOEBONIOSA-N 2 1 337.464 1.914 20 0 EDADMP C[C@@H](NC(=O)Cc1cccc2c1CC[NH2+]C2)[C@H](C)[NH+]1CCOCC1 ZINC000638099675 451265037 /nfs/dbraw/zinc/26/50/37/451265037.db2.gz ISFXUGNUKBVRPA-CABCVRRESA-N 2 1 331.460 1.100 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cc(-c4ccco4)on3)nn2)CC1 ZINC000630588888 451266063 /nfs/dbraw/zinc/26/60/63/451266063.db2.gz LNNMZTSRADAYQT-UHFFFAOYSA-N 2 1 342.403 1.540 20 0 EDADMP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000638126925 451297434 /nfs/dbraw/zinc/29/74/34/451297434.db2.gz RSQHEHOKOZZOPB-JKSUJKDBSA-N 2 1 325.497 1.900 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)C3=CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000638136709 451309744 /nfs/dbraw/zinc/30/97/44/451309744.db2.gz LOEJQMWSPJOLSG-QGZVFWFLSA-N 2 1 328.460 1.810 20 0 EDADMP CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000638136893 451310637 /nfs/dbraw/zinc/31/06/37/451310637.db2.gz OWTTWUOIMORXPM-MJGOQNOKSA-N 2 1 346.475 1.140 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000638166454 451332167 /nfs/dbraw/zinc/33/21/67/451332167.db2.gz XCEUXJQCTMCHJE-MHORFTMASA-N 2 1 330.476 1.032 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000638166454 451332171 /nfs/dbraw/zinc/33/21/71/451332171.db2.gz XCEUXJQCTMCHJE-MHORFTMASA-N 2 1 330.476 1.032 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638210010 451355453 /nfs/dbraw/zinc/35/54/53/451355453.db2.gz ZTBNDRRYRVLTRC-WMZOPIPTSA-N 3 1 344.503 1.627 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000638256770 451383426 /nfs/dbraw/zinc/38/34/26/451383426.db2.gz RZWFMZPLSQRVQL-GOSISDBHSA-N 2 1 326.444 1.804 20 0 EDADMP Cn1c2cc(C[N@@H+]3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@@H]43)ccc2oc1=O ZINC000638184549 451344782 /nfs/dbraw/zinc/34/47/82/451344782.db2.gz YJTBMOFZGGPRFF-VKJFTORMSA-N 2 1 345.443 1.815 20 0 EDADMP Cn1c2cc(C[N@H+]3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@@H]43)ccc2oc1=O ZINC000638184549 451344787 /nfs/dbraw/zinc/34/47/87/451344787.db2.gz YJTBMOFZGGPRFF-VKJFTORMSA-N 2 1 345.443 1.815 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC000634457328 451348211 /nfs/dbraw/zinc/34/82/11/451348211.db2.gz WHSDJDWNJBEDTH-HKUYNNGSSA-N 2 1 345.487 1.654 20 0 EDADMP C[C@@]1(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C[NH2+]CCO1 ZINC000638273886 451393113 /nfs/dbraw/zinc/39/31/13/451393113.db2.gz BXUMNLBTCLSTDS-FQEVSTJZSA-N 2 1 345.487 1.532 20 0 EDADMP C[C@]1(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C[NH2+]CCO1 ZINC000638273888 451393455 /nfs/dbraw/zinc/39/34/55/451393455.db2.gz BXUMNLBTCLSTDS-HXUWFJFHSA-N 2 1 345.487 1.532 20 0 EDADMP C[C@H]1CN(C(=O)Nc2cc(C[NH+](C)C)ccn2)CC[N@H+]1CC(C)(C)O ZINC000640572059 451418037 /nfs/dbraw/zinc/41/80/37/451418037.db2.gz BZCJLNUCJDMJKI-AWEZNQCLSA-N 2 1 349.479 1.452 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000638309894 451423895 /nfs/dbraw/zinc/42/38/95/451423895.db2.gz QLNIOUQXGIGRDJ-NJAFHUGGSA-N 2 1 331.460 1.508 20 0 EDADMP CC[NH2+][C@H](C)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000638356983 451456844 /nfs/dbraw/zinc/45/68/44/451456844.db2.gz SDRYDTZUCFNYLC-CYBMUJFWSA-N 2 1 333.480 1.581 20 0 EDADMP CO[C@H](C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000638364149 451461725 /nfs/dbraw/zinc/46/17/25/451461725.db2.gz CTCLTNLCQICWQQ-GOSISDBHSA-N 2 1 331.460 1.589 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(N)nc3N)cc2)C1 ZINC000638364003 451461925 /nfs/dbraw/zinc/46/19/25/451461925.db2.gz VCEXWQJVZVGLSN-AWEZNQCLSA-N 2 1 340.475 1.823 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000638365829 451463164 /nfs/dbraw/zinc/46/31/64/451463164.db2.gz IUPPDJCRZQKXGU-ZDUSSCGKSA-N 2 1 329.466 1.529 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CCO1 ZINC000640618361 451466284 /nfs/dbraw/zinc/46/62/84/451466284.db2.gz HPIPPTYLCXLDFK-QGZVFWFLSA-N 2 1 349.479 1.718 20 0 EDADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1F ZINC000638411580 451497369 /nfs/dbraw/zinc/49/73/69/451497369.db2.gz JPQWGJDZXXYAOA-QRTARXTBSA-N 2 1 349.450 1.738 20 0 EDADMP OCCC[N@H+]1CCC[C@@H](NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634720266 451500443 /nfs/dbraw/zinc/50/04/43/451500443.db2.gz HPQJDAYCJZWOSG-UXHICEINSA-N 2 1 347.503 1.060 20 0 EDADMP OCCC[NH+]1CCC[C@@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634720266 451500448 /nfs/dbraw/zinc/50/04/48/451500448.db2.gz HPQJDAYCJZWOSG-UXHICEINSA-N 2 1 347.503 1.060 20 0 EDADMP OCCC[NH+]1CCC[C@@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634720266 451500450 /nfs/dbraw/zinc/50/04/50/451500450.db2.gz HPQJDAYCJZWOSG-UXHICEINSA-N 2 1 347.503 1.060 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCNC(=O)C3)c2)CCO1 ZINC000638419057 451504237 /nfs/dbraw/zinc/50/42/37/451504237.db2.gz FFGKFQXTIGXQLE-QAPCUYQASA-N 2 1 331.460 1.666 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCNC(=O)C3)c2)CCO1 ZINC000638419057 451504239 /nfs/dbraw/zinc/50/42/39/451504239.db2.gz FFGKFQXTIGXQLE-QAPCUYQASA-N 2 1 331.460 1.666 20 0 EDADMP CCn1ncc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C1CC1 ZINC000640679403 451506913 /nfs/dbraw/zinc/50/69/13/451506913.db2.gz SYYSTKOAFSDRIU-AWEZNQCLSA-N 2 1 335.496 1.782 20 0 EDADMP CCn1ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C1CC1 ZINC000640679403 451506918 /nfs/dbraw/zinc/50/69/18/451506918.db2.gz SYYSTKOAFSDRIU-AWEZNQCLSA-N 2 1 335.496 1.782 20 0 EDADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638481209 451534962 /nfs/dbraw/zinc/53/49/62/451534962.db2.gz IVVYFXOKQACDEO-HCXYKTFWSA-N 2 1 327.472 1.821 20 0 EDADMP Cc1cccc(OCCn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000640796372 451589489 /nfs/dbraw/zinc/58/94/89/451589489.db2.gz YXJOLOGUADSOLJ-UHFFFAOYSA-N 2 1 329.448 1.631 20 0 EDADMP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638613519 451607024 /nfs/dbraw/zinc/60/70/24/451607024.db2.gz XVOACPNTNGTTLB-GBESFXJTSA-N 2 1 343.471 1.249 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H]3COCC[NH2+]3)cc2)C[C@@H](C)O1 ZINC000638620073 451614710 /nfs/dbraw/zinc/61/47/10/451614710.db2.gz YKOPNQFDBZETNO-IIDMSEBBSA-N 2 1 347.459 1.014 20 0 EDADMP C[C@H]1CC[C@@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000638639794 451625429 /nfs/dbraw/zinc/62/54/29/451625429.db2.gz NLVXCQLADXWDPC-FUHWJXTLSA-N 3 1 344.503 1.627 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000638653527 451632897 /nfs/dbraw/zinc/63/28/97/451632897.db2.gz LITZYJJDFXJFFI-NVXWUHKLSA-N 2 1 339.528 1.314 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000638653527 451632901 /nfs/dbraw/zinc/63/29/01/451632901.db2.gz LITZYJJDFXJFFI-NVXWUHKLSA-N 2 1 339.528 1.314 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000638803815 451696027 /nfs/dbraw/zinc/69/60/27/451696027.db2.gz PJRAHJFQXIPNOJ-CVEARBPZSA-N 2 1 337.414 1.870 20 0 EDADMP COc1c(C)c[nH+]c(Cn2cc([C@@H]([NH3+])C3CCOCC3)nn2)c1C ZINC000640954095 451703261 /nfs/dbraw/zinc/70/32/61/451703261.db2.gz DXFIEQMIEFOFJB-INIZCTEOSA-N 2 1 331.420 1.773 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000636442783 451709773 /nfs/dbraw/zinc/70/97/73/451709773.db2.gz TXEYYLSZHJGEIL-QZTJIDSGSA-N 2 1 346.475 1.189 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000639058829 451759946 /nfs/dbraw/zinc/75/99/46/451759946.db2.gz IVNSLTWESGGEDF-UHFFFAOYSA-N 2 1 331.460 1.297 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000637283424 451779902 /nfs/dbraw/zinc/77/99/02/451779902.db2.gz QUXAAYTUIXICGP-CQSZACIVSA-N 2 1 334.468 1.756 20 0 EDADMP CC[NH+](CC)Cc1cn(C[C@@H](O)C[N@H+](C)Cc2ccccc2)nn1 ZINC000641214799 451784560 /nfs/dbraw/zinc/78/45/60/451784560.db2.gz JTEOMYAQQSVWDC-SFHVURJKSA-N 2 1 331.464 1.613 20 0 EDADMP CC[NH+](CC)Cc1cn(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)nn1 ZINC000641214799 451784563 /nfs/dbraw/zinc/78/45/63/451784563.db2.gz JTEOMYAQQSVWDC-SFHVURJKSA-N 2 1 331.464 1.613 20 0 EDADMP CC(C)(C)[C@H]([NH3+])c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641229457 451790798 /nfs/dbraw/zinc/79/07/98/451790798.db2.gz ITIRXEQGHMMEEZ-MJGOQNOKSA-N 2 1 343.475 1.961 20 0 EDADMP CC(=O)Nc1cccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000639207109 451792437 /nfs/dbraw/zinc/79/24/37/451792437.db2.gz VQZTZSKGCQAWHL-UHFFFAOYSA-N 2 1 346.475 1.727 20 0 EDADMP C[N@H+]1CCCC[C@H](C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000639346198 451838256 /nfs/dbraw/zinc/83/82/56/451838256.db2.gz DPRDFARFUMGMFT-CQSZACIVSA-N 2 1 331.526 1.558 20 0 EDADMP O[C@]1(CN2CC[NH+](C3CCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639488549 451897364 /nfs/dbraw/zinc/89/73/64/451897364.db2.gz JVCPMMJMTJOECW-FQEVSTJZSA-N 2 1 329.488 1.794 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnc1C ZINC000637428161 451849668 /nfs/dbraw/zinc/84/96/68/451849668.db2.gz AKYDVLCCIRSSAC-GOSISDBHSA-N 2 1 347.507 1.948 20 0 EDADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CN1CCOCC1 ZINC000644572197 451868867 /nfs/dbraw/zinc/86/88/67/451868867.db2.gz SDBKUNJLCDFYGE-PKOBYXMFSA-N 2 1 335.492 1.037 20 0 EDADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CN1CCOCC1 ZINC000644572197 451868872 /nfs/dbraw/zinc/86/88/72/451868872.db2.gz SDBKUNJLCDFYGE-PKOBYXMFSA-N 2 1 335.492 1.037 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC000639482039 451893399 /nfs/dbraw/zinc/89/33/99/451893399.db2.gz HDPMEWBLJZHBGM-UHFFFAOYSA-N 2 1 345.491 1.285 20 0 EDADMP CC(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000644636482 451910221 /nfs/dbraw/zinc/91/02/21/451910221.db2.gz VFKUJNSGCNRPDE-RTBURBONSA-N 2 1 333.476 1.327 20 0 EDADMP CC(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000644636482 451910226 /nfs/dbraw/zinc/91/02/26/451910226.db2.gz VFKUJNSGCNRPDE-RTBURBONSA-N 2 1 333.476 1.327 20 0 EDADMP COCCOC[C@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639506717 451912980 /nfs/dbraw/zinc/91/29/80/451912980.db2.gz REVAHMDIZDFLMA-VQTJNVASSA-N 2 1 348.487 1.608 20 0 EDADMP COCCOC[C@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639506717 451912987 /nfs/dbraw/zinc/91/29/87/451912987.db2.gz REVAHMDIZDFLMA-VQTJNVASSA-N 2 1 348.487 1.608 20 0 EDADMP COCCOC[C@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639506717 451912992 /nfs/dbraw/zinc/91/29/92/451912992.db2.gz REVAHMDIZDFLMA-VQTJNVASSA-N 2 1 348.487 1.608 20 0 EDADMP COCCOC[C@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639506717 451912995 /nfs/dbraw/zinc/91/29/95/451912995.db2.gz REVAHMDIZDFLMA-VQTJNVASSA-N 2 1 348.487 1.608 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000646916770 451935437 /nfs/dbraw/zinc/93/54/37/451935437.db2.gz QGBIVKCCYYYPEC-IEBWSBKVSA-N 2 1 342.487 1.361 20 0 EDADMP COCCO[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639550651 451940673 /nfs/dbraw/zinc/94/06/73/451940673.db2.gz YUHAVJLUUFMZIX-WOJBJXKFSA-N 2 1 348.487 1.751 20 0 EDADMP COCCO[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639550651 451940677 /nfs/dbraw/zinc/94/06/77/451940677.db2.gz YUHAVJLUUFMZIX-WOJBJXKFSA-N 2 1 348.487 1.751 20 0 EDADMP COCCO[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639550651 451940683 /nfs/dbraw/zinc/94/06/83/451940683.db2.gz YUHAVJLUUFMZIX-WOJBJXKFSA-N 2 1 348.487 1.751 20 0 EDADMP COCCO[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639550651 451940689 /nfs/dbraw/zinc/94/06/89/451940689.db2.gz YUHAVJLUUFMZIX-WOJBJXKFSA-N 2 1 348.487 1.751 20 0 EDADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000649271675 451944262 /nfs/dbraw/zinc/94/42/62/451944262.db2.gz RTAZITOOKDYLOR-INIZCTEOSA-N 2 1 338.883 1.306 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@]2(N)CC[NH+](C)C2)C1 ZINC000649288426 451961864 /nfs/dbraw/zinc/96/18/64/451961864.db2.gz PIBCTQPRNNTBTK-JXFKEZNVSA-N 2 1 344.503 1.568 20 0 EDADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@]2(N)CC[N@H+](C)C2)C1 ZINC000649288426 451961870 /nfs/dbraw/zinc/96/18/70/451961870.db2.gz PIBCTQPRNNTBTK-JXFKEZNVSA-N 2 1 344.503 1.568 20 0 EDADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@]2(N)CC[N@@H+](C)C2)C1 ZINC000649288426 451961873 /nfs/dbraw/zinc/96/18/73/451961873.db2.gz PIBCTQPRNNTBTK-JXFKEZNVSA-N 2 1 344.503 1.568 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000649294193 451971133 /nfs/dbraw/zinc/97/11/33/451971133.db2.gz BNPOWCWOUDRFMJ-SFHVURJKSA-N 2 1 325.497 1.726 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC000649304980 451982333 /nfs/dbraw/zinc/98/23/33/451982333.db2.gz UCIKFMCZZWEURW-AEFFLSMTSA-N 2 1 341.459 1.012 20 0 EDADMP COC[C@@]1(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)CCC[NH2+]1 ZINC000649306736 451983198 /nfs/dbraw/zinc/98/31/98/451983198.db2.gz LVCGYDVTQZASAB-LJQANCHMSA-N 2 1 333.476 1.912 20 0 EDADMP COC[C@]1(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000649307423 451984376 /nfs/dbraw/zinc/98/43/76/451984376.db2.gz OKWWMARVAQJFRV-IEZWGBDMSA-N 2 1 331.460 1.707 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC(C)([NH3+])CC3)cc2F)CC1 ZINC000646992113 451991976 /nfs/dbraw/zinc/99/19/76/451991976.db2.gz ZPVJQYIYWKPYDS-UHFFFAOYSA-N 2 1 348.466 1.921 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC000649334707 452016960 /nfs/dbraw/zinc/01/69/60/452016960.db2.gz CZJWPQKCOPKCGZ-NXHRZFHOSA-N 2 1 347.507 1.412 20 0 EDADMP COC[C@@]1(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649347030 452029983 /nfs/dbraw/zinc/02/99/83/452029983.db2.gz BACASPSKOFBIOT-VQIMIIECSA-N 2 1 333.476 1.782 20 0 EDADMP C[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C1CC[NH2+]CC1 ZINC000649351559 452034964 /nfs/dbraw/zinc/03/49/64/452034964.db2.gz AUBUIHUEVIVNOC-OAHLLOKOSA-N 3 1 345.491 1.798 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C[C@@H]21 ZINC000649355854 452038964 /nfs/dbraw/zinc/03/89/64/452038964.db2.gz WTNRIZMJAQHJHM-SPUZQDLCSA-N 2 1 328.460 1.632 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C[C@@H]21 ZINC000649355854 452038969 /nfs/dbraw/zinc/03/89/69/452038969.db2.gz WTNRIZMJAQHJHM-SPUZQDLCSA-N 2 1 328.460 1.632 20 0 EDADMP CC[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[C@@H]1[NH3+] ZINC000649358726 452040211 /nfs/dbraw/zinc/04/02/11/452040211.db2.gz ANJUEASMZLNMFI-MJGOQNOKSA-N 2 1 344.503 1.633 20 0 EDADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000647093027 452055734 /nfs/dbraw/zinc/05/57/34/452055734.db2.gz AKIXKJDZSJCQJS-BBRMVZONSA-N 2 1 331.464 1.337 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)c1nccnc1N(C)C[C@H]1CCC[N@H+]1C ZINC000643197846 452064503 /nfs/dbraw/zinc/06/45/03/452064503.db2.gz DPURJPWMOJKSNS-HZPDHXFCSA-N 2 1 332.496 1.537 20 0 EDADMP C[C@@]1(O)CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@@](C)(O)C3)c2)C1 ZINC000649404986 452070167 /nfs/dbraw/zinc/07/01/67/452070167.db2.gz YIXFALUIVJETJJ-RTBURBONSA-N 2 1 333.476 1.775 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(C)CCC[NH3+])CC1 ZINC000649410027 452073592 /nfs/dbraw/zinc/07/35/92/452073592.db2.gz ISVUDJQROYBYOL-UHFFFAOYSA-N 2 1 332.492 1.310 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000649411536 452074415 /nfs/dbraw/zinc/07/44/15/452074415.db2.gz CBXCQXGSEHGPGU-UHFFFAOYSA-N 2 1 344.503 1.325 20 0 EDADMP Cc1ccccc1CN1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000649411536 452074419 /nfs/dbraw/zinc/07/44/19/452074419.db2.gz CBXCQXGSEHGPGU-UHFFFAOYSA-N 2 1 344.503 1.325 20 0 EDADMP Cc1ccccc1CN1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000649411536 452074422 /nfs/dbraw/zinc/07/44/22/452074422.db2.gz CBXCQXGSEHGPGU-UHFFFAOYSA-N 2 1 344.503 1.325 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C2)CC1 ZINC000639758639 452098053 /nfs/dbraw/zinc/09/80/53/452098053.db2.gz WUMHEFSVFADEHL-IAGOWNOFSA-N 2 1 335.492 1.574 20 0 EDADMP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000637823533 452102041 /nfs/dbraw/zinc/10/20/41/452102041.db2.gz RKNHDZYIWOIHCI-NLWGTHIKSA-N 2 1 343.471 1.332 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC[NH2+]1 ZINC000637842517 452111587 /nfs/dbraw/zinc/11/15/87/452111587.db2.gz QVKWYRPPAYKZFI-AYOQOUSVSA-N 2 1 327.472 1.965 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC000645015360 452115106 /nfs/dbraw/zinc/11/51/06/452115106.db2.gz TUSFGWIOXYIIHL-KRWDZBQOSA-N 2 1 326.404 1.827 20 0 EDADMP C[N@@H+](CCN1CCN(C[C@@H]2CCC[NH+]2C)CC1)Cc1ccccc1 ZINC000649524628 452124506 /nfs/dbraw/zinc/12/45/06/452124506.db2.gz PYZNFBFSEXUKKS-FQEVSTJZSA-N 2 1 330.520 1.830 20 0 EDADMP C[NH+](CCN1CCN(C[C@@H]2CCC[N@@H+]2C)CC1)Cc1ccccc1 ZINC000649524628 452124511 /nfs/dbraw/zinc/12/45/11/452124511.db2.gz PYZNFBFSEXUKKS-FQEVSTJZSA-N 2 1 330.520 1.830 20 0 EDADMP C[NH+](CCN1CCN(C[C@@H]2CCC[N@H+]2C)CC1)Cc1ccccc1 ZINC000649524628 452124518 /nfs/dbraw/zinc/12/45/18/452124518.db2.gz PYZNFBFSEXUKKS-FQEVSTJZSA-N 2 1 330.520 1.830 20 0 EDADMP O=C(C[N@@H+]1CCC[C@@H](OC2CCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000653814435 452126870 /nfs/dbraw/zinc/12/68/70/452126870.db2.gz OKIOADPWQXSASM-GOSISDBHSA-N 2 1 335.492 1.763 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H](OC2CCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000653814435 452126872 /nfs/dbraw/zinc/12/68/72/452126872.db2.gz OKIOADPWQXSASM-GOSISDBHSA-N 2 1 335.492 1.763 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1CCO ZINC000649582199 452155227 /nfs/dbraw/zinc/15/52/27/452155227.db2.gz DAGLXXPHFAXKCE-KRWDZBQOSA-N 2 1 337.508 1.699 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1CCO ZINC000649582199 452155235 /nfs/dbraw/zinc/15/52/35/452155235.db2.gz DAGLXXPHFAXKCE-KRWDZBQOSA-N 2 1 337.508 1.699 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1CCO ZINC000649582199 452155242 /nfs/dbraw/zinc/15/52/42/452155242.db2.gz DAGLXXPHFAXKCE-KRWDZBQOSA-N 2 1 337.508 1.699 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1CCO ZINC000649582199 452155247 /nfs/dbraw/zinc/15/52/47/452155247.db2.gz DAGLXXPHFAXKCE-KRWDZBQOSA-N 2 1 337.508 1.699 20 0 EDADMP Cn1cc(CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000637950704 452197470 /nfs/dbraw/zinc/19/74/70/452197470.db2.gz IFLRNQIXAHYZGP-UHFFFAOYSA-N 2 1 341.459 1.420 20 0 EDADMP CN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000637981421 452224537 /nfs/dbraw/zinc/22/45/37/452224537.db2.gz SGWDHTFYBAGGMO-KRWDZBQOSA-N 2 1 331.460 1.617 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1Cl ZINC000659428178 452271926 /nfs/dbraw/zinc/27/19/26/452271926.db2.gz XTDTXCAXBLLPJG-YAJUMTOWSA-N 2 1 336.867 1.994 20 0 EDADMP C[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487268 452284078 /nfs/dbraw/zinc/28/40/78/452284078.db2.gz CDWHYUOVUHUEIK-KCYAQADSSA-N 2 1 333.476 1.936 20 0 EDADMP C[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487268 452284085 /nfs/dbraw/zinc/28/40/85/452284085.db2.gz CDWHYUOVUHUEIK-KCYAQADSSA-N 2 1 333.476 1.936 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488173 452284394 /nfs/dbraw/zinc/28/43/94/452284394.db2.gz VCTVVRPSLYVIJV-AFIMGQEJSA-N 2 1 331.460 1.487 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000641810051 452290773 /nfs/dbraw/zinc/29/07/73/452290773.db2.gz ZNQSPAHOVBWKQB-GJZGRUSLSA-N 2 1 330.432 1.467 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000659442538 452291352 /nfs/dbraw/zinc/29/13/52/452291352.db2.gz JEWXXKBWDQDULO-CABCVRRESA-N 2 1 334.464 1.314 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000659442538 452291362 /nfs/dbraw/zinc/29/13/62/452291362.db2.gz JEWXXKBWDQDULO-CABCVRRESA-N 2 1 334.464 1.314 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546710 452306399 /nfs/dbraw/zinc/30/63/99/452306399.db2.gz TUONXURFGGPDGF-HIFRSBDPSA-N 2 1 337.489 1.920 20 0 EDADMP O=C(NCCC1CC[NH2+]CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000652119648 452315449 /nfs/dbraw/zinc/31/54/49/452315449.db2.gz QATBJAAPDIEVOG-SFHVURJKSA-N 2 1 330.476 1.950 20 0 EDADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000639983419 452315480 /nfs/dbraw/zinc/31/54/80/452315480.db2.gz HHBOFDNKOLHZKA-INIZCTEOSA-N 2 1 326.481 1.229 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652120243 452315471 /nfs/dbraw/zinc/31/54/71/452315471.db2.gz BNDDRYRGNDVCNY-JZXOWHBKSA-N 2 1 338.496 1.114 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)c1ccccc1Cl ZINC000638052048 452326162 /nfs/dbraw/zinc/32/61/62/452326162.db2.gz VWNNDDWHZHSLMY-DOTOQJQBSA-N 2 1 339.867 1.814 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000665760637 452330005 /nfs/dbraw/zinc/33/00/05/452330005.db2.gz MAIWFZYVPPDQCH-GVDBMIGSSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000665760637 452330018 /nfs/dbraw/zinc/33/00/18/452330018.db2.gz MAIWFZYVPPDQCH-GVDBMIGSSA-N 2 1 342.528 1.451 20 0 EDADMP CO[C@@H]1C[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)[C@](C)(CO)C1 ZINC000640002296 452333516 /nfs/dbraw/zinc/33/35/16/452333516.db2.gz XLKKLKFNZNFPKM-ZCNNSNEGSA-N 2 1 348.487 1.749 20 0 EDADMP CC[C@]1(C)CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000665761551 452337436 /nfs/dbraw/zinc/33/74/36/452337436.db2.gz HPQBDERJEBYJFN-DOTOQJQBSA-N 2 1 328.501 1.469 20 0 EDADMP CC[C@]1(C)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000665761551 452337446 /nfs/dbraw/zinc/33/74/46/452337446.db2.gz HPQBDERJEBYJFN-DOTOQJQBSA-N 2 1 328.501 1.469 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000659482806 452341108 /nfs/dbraw/zinc/34/11/08/452341108.db2.gz TZRJZUSQFNJOAP-YDZRNGNQSA-N 2 1 342.487 1.948 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000652154821 452347704 /nfs/dbraw/zinc/34/77/04/452347704.db2.gz PGNPTFYEKYCOSA-UHFFFAOYSA-N 2 1 347.507 1.233 20 0 EDADMP COc1cccc([C@@H]([NH3+])C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638059166 452348648 /nfs/dbraw/zinc/34/86/48/452348648.db2.gz GAQYOMROWTWXNA-JKIFEVAISA-N 2 1 335.448 1.311 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](O)C1 ZINC000649892926 452367933 /nfs/dbraw/zinc/36/79/33/452367933.db2.gz QRFCKHWYRPVJGE-RYQLBKOJSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](O)C1 ZINC000649892926 452367941 /nfs/dbraw/zinc/36/79/41/452367941.db2.gz QRFCKHWYRPVJGE-RYQLBKOJSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](O)C1 ZINC000649892926 452367947 /nfs/dbraw/zinc/36/79/47/452367947.db2.gz QRFCKHWYRPVJGE-RYQLBKOJSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](O)C1 ZINC000649892926 452367956 /nfs/dbraw/zinc/36/79/56/452367956.db2.gz QRFCKHWYRPVJGE-RYQLBKOJSA-N 2 1 331.460 1.222 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000659511482 452375907 /nfs/dbraw/zinc/37/59/07/452375907.db2.gz QGWVFXQWZHBTMQ-ROUUACIJSA-N 2 1 346.475 1.052 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCC2C[NH2+]C2)c1 ZINC000638071576 452379663 /nfs/dbraw/zinc/37/96/63/452379663.db2.gz KQLJKRFSLLDZIL-INIZCTEOSA-N 2 1 330.432 1.074 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCC2C[NH2+]C2)c1 ZINC000638071576 452379672 /nfs/dbraw/zinc/37/96/72/452379672.db2.gz KQLJKRFSLLDZIL-INIZCTEOSA-N 2 1 330.432 1.074 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638072080 452381166 /nfs/dbraw/zinc/38/11/66/452381166.db2.gz PNHQYKANQHPWDA-AWEZNQCLSA-N 2 1 347.381 1.790 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCC2C[NH2+]C2)c1 ZINC000638071577 452381727 /nfs/dbraw/zinc/38/17/27/452381727.db2.gz KQLJKRFSLLDZIL-MRXNPFEDSA-N 2 1 330.432 1.074 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCC2C[NH2+]C2)c1 ZINC000638071577 452381735 /nfs/dbraw/zinc/38/17/35/452381735.db2.gz KQLJKRFSLLDZIL-MRXNPFEDSA-N 2 1 330.432 1.074 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)CC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000645434982 452405030 /nfs/dbraw/zinc/40/50/30/452405030.db2.gz WQQYFSDYMDLBFH-KRWDZBQOSA-N 2 1 332.492 1.609 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)CC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000645434982 452405040 /nfs/dbraw/zinc/40/50/40/452405040.db2.gz WQQYFSDYMDLBFH-KRWDZBQOSA-N 2 1 332.492 1.609 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)CC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000645434982 452405048 /nfs/dbraw/zinc/40/50/48/452405048.db2.gz WQQYFSDYMDLBFH-KRWDZBQOSA-N 2 1 332.492 1.609 20 0 EDADMP [NH3+]CC1(CC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000645452648 452421582 /nfs/dbraw/zinc/42/15/82/452421582.db2.gz RNWBWVQTOPQNPB-UHFFFAOYSA-N 2 1 344.503 1.440 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3cccc(F)c3)C[C@@H]21 ZINC000659582593 452438265 /nfs/dbraw/zinc/43/82/65/452438265.db2.gz UTJZEDXQYSJPPB-DDBAPUKQSA-N 2 1 346.450 1.617 20 0 EDADMP C[C@@H](CNC(=O)CC1([NH3+])CCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000645494517 452462942 /nfs/dbraw/zinc/46/29/42/452462942.db2.gz PQHBVMTVQQWRBH-INIZCTEOSA-N 2 1 330.476 1.585 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C1 ZINC000663773299 452500775 /nfs/dbraw/zinc/50/07/75/452500775.db2.gz FFIAEWZZLXLSOG-BZUAXINKSA-N 2 1 336.480 1.023 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000663773299 452500788 /nfs/dbraw/zinc/50/07/88/452500788.db2.gz FFIAEWZZLXLSOG-BZUAXINKSA-N 2 1 336.480 1.023 20 0 EDADMP C(Cc1nnc2n1CCCCC2)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655686000 452508399 /nfs/dbraw/zinc/50/83/99/452508399.db2.gz WRVMGJGGVBFRLG-QGZVFWFLSA-N 2 1 347.507 1.780 20 0 EDADMP C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)COC[C@H]1CCCO1 ZINC000655696414 452517376 /nfs/dbraw/zinc/51/73/76/452517376.db2.gz OWWPVTDJHVEILH-QZTJIDSGSA-N 2 1 326.481 1.805 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000647786185 452520540 /nfs/dbraw/zinc/52/05/40/452520540.db2.gz JXANWNZICYCDAJ-QHAWAJNXSA-N 3 1 342.531 1.912 20 0 EDADMP O=C(Cc1cccc(F)c1)NCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655710091 452528450 /nfs/dbraw/zinc/52/84/50/452528450.db2.gz BFCLTFAJJDILJZ-SFHVURJKSA-N 2 1 349.450 1.327 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCSC1 ZINC000654473720 452540792 /nfs/dbraw/zinc/54/07/92/452540792.db2.gz UAMFLICLRBUDRQ-INMHGKMJSA-N 2 1 340.537 1.740 20 0 EDADMP CC(C)N(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C(C)C ZINC000652360185 452541878 /nfs/dbraw/zinc/54/18/78/452541878.db2.gz CGHMRMWXICGPSA-BBWFWOEESA-N 2 1 325.497 1.993 20 0 EDADMP COc1cccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c1C ZINC000657804678 452542117 /nfs/dbraw/zinc/54/21/17/452542117.db2.gz NICUKUPOAKQGOM-UHFFFAOYSA-N 2 1 341.459 1.835 20 0 EDADMP Cc1ccoc1C(=O)NCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655730425 452543081 /nfs/dbraw/zinc/54/30/81/452543081.db2.gz SIYGBQNFXHRHFJ-KRWDZBQOSA-N 2 1 349.475 1.941 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363570 452544187 /nfs/dbraw/zinc/54/41/87/452544187.db2.gz IFBPJFGDEJVHNR-JAZQRGJZSA-N 3 1 347.503 1.278 20 0 EDADMP COc1cc2ccnc(N3CC[N@@H+](CCO)[C@H](C)C3)c2cc1OC ZINC000663823516 452549431 /nfs/dbraw/zinc/54/94/31/452549431.db2.gz WAUVQUCXFWXPPG-CYBMUJFWSA-N 2 1 331.416 1.755 20 0 EDADMP COc1cc2ccnc(N3CCN(CCO)[C@H](C)C3)c2cc1OC ZINC000663823516 452549440 /nfs/dbraw/zinc/54/94/40/452549440.db2.gz WAUVQUCXFWXPPG-CYBMUJFWSA-N 2 1 331.416 1.755 20 0 EDADMP CN1CC[NH+](CC2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC000647825670 452561047 /nfs/dbraw/zinc/56/10/47/452561047.db2.gz BZZFQAKLWFRDPO-IBGZPJMESA-N 2 1 348.535 1.489 20 0 EDADMP C[NH+]1CCN(CC2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000647825670 452561056 /nfs/dbraw/zinc/56/10/56/452561056.db2.gz BZZFQAKLWFRDPO-IBGZPJMESA-N 2 1 348.535 1.489 20 0 EDADMP C[NH+]1CCN(CC2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC000647825670 452561065 /nfs/dbraw/zinc/56/10/65/452561065.db2.gz BZZFQAKLWFRDPO-IBGZPJMESA-N 2 1 348.535 1.489 20 0 EDADMP C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000661770669 452565730 /nfs/dbraw/zinc/56/57/30/452565730.db2.gz GYFQKJBLWCPPES-YQVWRLOYSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@@H](O)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000661770669 452565739 /nfs/dbraw/zinc/56/57/39/452565739.db2.gz GYFQKJBLWCPPES-YQVWRLOYSA-N 2 1 345.487 1.737 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000659688889 452566048 /nfs/dbraw/zinc/56/60/48/452566048.db2.gz NLIJWJUTMUNHFG-OAHLLOKOSA-N 2 1 338.496 1.095 20 0 EDADMP COCC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCOCC1 ZINC000655769922 452567750 /nfs/dbraw/zinc/56/77/50/452567750.db2.gz SGDAJGHUMKNYKS-KRWDZBQOSA-N 2 1 326.481 1.663 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000647835090 452570872 /nfs/dbraw/zinc/57/08/72/452570872.db2.gz MMQFOMQRDDETTI-CABCVRRESA-N 2 1 336.455 1.228 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000647835090 452570876 /nfs/dbraw/zinc/57/08/76/452570876.db2.gz MMQFOMQRDDETTI-CABCVRRESA-N 2 1 336.455 1.228 20 0 EDADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655801228 452588664 /nfs/dbraw/zinc/58/86/64/452588664.db2.gz LSXUWHIXUITEQV-IMBTUZDBSA-N 2 1 339.524 1.717 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3cnn(C)c3)CC2)CC1 ZINC000654533645 452613999 /nfs/dbraw/zinc/61/39/99/452613999.db2.gz SLGXTKVUXOPTTM-UHFFFAOYSA-N 2 1 347.507 1.275 20 0 EDADMP CCN1C[C@H](C)N(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)C[C@@H]1C ZINC000652456958 452650166 /nfs/dbraw/zinc/65/01/66/452650166.db2.gz TZBINLZEWDYKQN-HOTGVXAUSA-N 2 1 340.512 1.022 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH+](C)CC(C)C)C[C@@H]1C ZINC000652456958 452650175 /nfs/dbraw/zinc/65/01/75/452650175.db2.gz TZBINLZEWDYKQN-HOTGVXAUSA-N 2 1 340.512 1.022 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH+](C)CC(C)C)C[C@@H]1C ZINC000652456958 452650181 /nfs/dbraw/zinc/65/01/81/452650181.db2.gz TZBINLZEWDYKQN-HOTGVXAUSA-N 2 1 340.512 1.022 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)C[C@@H]1C ZINC000652456958 452650191 /nfs/dbraw/zinc/65/01/91/452650191.db2.gz TZBINLZEWDYKQN-HOTGVXAUSA-N 2 1 340.512 1.022 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)C[C@@H]1C ZINC000652456958 452650199 /nfs/dbraw/zinc/65/01/99/452650199.db2.gz TZBINLZEWDYKQN-HOTGVXAUSA-N 2 1 340.512 1.022 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000666185676 452670153 /nfs/dbraw/zinc/67/01/53/452670153.db2.gz RLDZPFKTCFCWHG-AWEZNQCLSA-N 2 1 336.484 1.687 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C[C@H](C)O1 ZINC000655913514 452672072 /nfs/dbraw/zinc/67/20/72/452672072.db2.gz VBNWPDBAKVDUIK-OUAUKWLOSA-N 2 1 340.390 1.063 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C[C@H](C)O1 ZINC000655913514 452672079 /nfs/dbraw/zinc/67/20/79/452672079.db2.gz VBNWPDBAKVDUIK-OUAUKWLOSA-N 2 1 340.390 1.063 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C[C@H]1Cc1ccccc1 ZINC000655927846 452695655 /nfs/dbraw/zinc/69/56/55/452695655.db2.gz IWBVKJVXBLQREI-KGLIPLIRSA-N 2 1 344.381 1.444 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C[C@H]1Cc1ccccc1 ZINC000655927846 452695666 /nfs/dbraw/zinc/69/56/66/452695666.db2.gz IWBVKJVXBLQREI-KGLIPLIRSA-N 2 1 344.381 1.444 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000661945386 452701097 /nfs/dbraw/zinc/70/10/97/452701097.db2.gz CXTUULQSFITHCA-SJORKVTESA-N 2 1 338.496 1.225 20 0 EDADMP c1ccc(Cn2nnnc2C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975788 452721635 /nfs/dbraw/zinc/72/16/35/452721635.db2.gz FVNVLQIUBGIPPL-ZWKOTPCHSA-N 2 1 340.475 1.933 20 0 EDADMP c1ccc(Cn2nnnc2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975788 452721646 /nfs/dbraw/zinc/72/16/46/452721646.db2.gz FVNVLQIUBGIPPL-ZWKOTPCHSA-N 2 1 340.475 1.933 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH3+])CCCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655960918 452743562 /nfs/dbraw/zinc/74/35/62/452743562.db2.gz DDNAYPPGTIPMFF-HRCADAONSA-N 2 1 340.512 1.835 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH3+])CCCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655960918 452743569 /nfs/dbraw/zinc/74/35/69/452743569.db2.gz DDNAYPPGTIPMFF-HRCADAONSA-N 2 1 340.512 1.835 20 0 EDADMP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658138426 452747059 /nfs/dbraw/zinc/74/70/59/452747059.db2.gz NEBMKPLALFZGTB-ROUUACIJSA-N 2 1 329.448 1.413 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000655971175 452751332 /nfs/dbraw/zinc/75/13/32/452751332.db2.gz VKPBQKZXVUTLBX-LJIZCISZSA-N 2 1 326.485 1.253 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000655971175 452751338 /nfs/dbraw/zinc/75/13/38/452751338.db2.gz VKPBQKZXVUTLBX-LJIZCISZSA-N 2 1 326.485 1.253 20 0 EDADMP C[C@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971138 452752620 /nfs/dbraw/zinc/75/26/20/452752620.db2.gz TYKBODLLHLWWFD-ZACQAIPSSA-N 2 1 348.491 1.655 20 0 EDADMP C[C@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971138 452752627 /nfs/dbraw/zinc/75/26/27/452752627.db2.gz TYKBODLLHLWWFD-ZACQAIPSSA-N 2 1 348.491 1.655 20 0 EDADMP CCCN(C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000655971291 452755359 /nfs/dbraw/zinc/75/53/59/452755359.db2.gz ZFOUQJNCCAINBX-JONQDZQNSA-N 2 1 326.485 1.268 20 0 EDADMP CCCN(C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000655971291 452755368 /nfs/dbraw/zinc/75/53/68/452755368.db2.gz ZFOUQJNCCAINBX-JONQDZQNSA-N 2 1 326.485 1.268 20 0 EDADMP O=S1(=O)CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658168466 452765590 /nfs/dbraw/zinc/76/55/90/452765590.db2.gz XIKIASAJKQVXPS-QGZVFWFLSA-N 2 1 337.489 1.460 20 0 EDADMP CC[N@@H+](CCCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1CCCCC1 ZINC000652705253 452858564 /nfs/dbraw/zinc/85/85/64/452858564.db2.gz CLJVZOPYBIPGJN-HUUCEWRRSA-N 2 1 340.512 1.389 20 0 EDADMP CCN(CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)CC(F)(F)F ZINC000662154746 452891919 /nfs/dbraw/zinc/89/19/19/452891919.db2.gz ZEDHAOHNLSNRKH-OAHLLOKOSA-N 2 1 337.430 1.792 20 0 EDADMP CCN(CCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)CC(F)(F)F ZINC000662154746 452891925 /nfs/dbraw/zinc/89/19/25/452891925.db2.gz ZEDHAOHNLSNRKH-OAHLLOKOSA-N 2 1 337.430 1.792 20 0 EDADMP CO[C@@]1(C)C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664280788 452962414 /nfs/dbraw/zinc/96/24/14/452962414.db2.gz IOMKIVAOHTYPMJ-MPGHIAIKSA-N 2 1 342.528 1.761 20 0 EDADMP CO[C@@]1(C)C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664280788 452962419 /nfs/dbraw/zinc/96/24/19/452962419.db2.gz IOMKIVAOHTYPMJ-MPGHIAIKSA-N 2 1 342.528 1.761 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H]4CC[C@@H](C3)O4)CC2)CC1 ZINC000654849184 452973899 /nfs/dbraw/zinc/97/38/99/452973899.db2.gz PKLCKHJJPLXUAI-HDICACEKSA-N 2 1 335.492 1.573 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1)N1CCOCC1 ZINC000662249376 452975705 /nfs/dbraw/zinc/97/57/05/452975705.db2.gz UOHYKXNCVHCBAL-GOSISDBHSA-N 2 1 343.471 1.403 20 0 EDADMP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000662256185 452985162 /nfs/dbraw/zinc/98/51/62/452985162.db2.gz UAEFBAYBQKRUQV-CZUORRHYSA-N 2 1 333.407 1.384 20 0 EDADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000662256185 452985169 /nfs/dbraw/zinc/98/51/69/452985169.db2.gz UAEFBAYBQKRUQV-CZUORRHYSA-N 2 1 333.407 1.384 20 0 EDADMP CCO[C@@H]1C[C@@](CO)([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1(C)C ZINC000656257487 452994773 /nfs/dbraw/zinc/99/47/73/452994773.db2.gz JGOZIWWXKYIOLZ-SCTDSRPQSA-N 2 1 340.508 1.786 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000662315410 453033906 /nfs/dbraw/zinc/03/39/06/453033906.db2.gz FGRJMAJEBSNMCK-HOTGVXAUSA-N 2 1 334.464 1.425 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000656309314 453047999 /nfs/dbraw/zinc/04/79/99/453047999.db2.gz OGWDOFHRQGPCHL-HNNXBMFYSA-N 2 1 340.512 1.166 20 0 EDADMP Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CO2 ZINC000664448251 453102315 /nfs/dbraw/zinc/10/23/15/453102315.db2.gz OVYIELPRIWOAHS-RDJZCZTQSA-N 2 1 348.491 2.000 20 0 EDADMP Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CO2 ZINC000664448251 453102323 /nfs/dbraw/zinc/10/23/23/453102323.db2.gz OVYIELPRIWOAHS-RDJZCZTQSA-N 2 1 348.491 2.000 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)COCc1cccs1)CCO2 ZINC000646103336 453104019 /nfs/dbraw/zinc/10/40/19/453104019.db2.gz OVSRRHABPCCKGK-OAHLLOKOSA-N 2 1 340.489 1.422 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662402988 453114492 /nfs/dbraw/zinc/11/44/92/453114492.db2.gz QQGYFEMAVXARJP-QLFBSQMISA-N 2 1 347.507 1.973 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662407144 453117930 /nfs/dbraw/zinc/11/79/30/453117930.db2.gz TUSRVJFXVXSIEI-GXFFZTMASA-N 2 1 326.238 1.659 20 0 EDADMP C[NH2+]C1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662415931 453126222 /nfs/dbraw/zinc/12/62/22/453126222.db2.gz NBSSRXIDYFEJQC-UHFFFAOYSA-N 2 1 344.278 1.938 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2C(=O)CN(C)C2=O)cc1 ZINC000660204738 453129995 /nfs/dbraw/zinc/12/99/95/453129995.db2.gz OTNXGKADCXNEQK-ZDUSSCGKSA-N 2 1 341.415 1.725 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC[C@H]1[NH3+] ZINC000662421751 453131111 /nfs/dbraw/zinc/13/11/11/453131111.db2.gz YLRCIYOQQHCZJG-WQAKAFBOSA-N 2 1 326.238 1.645 20 0 EDADMP [NH3+]CCOCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000646140211 453147876 /nfs/dbraw/zinc/14/78/76/453147876.db2.gz ALFOEYCEDQCWAY-LJQANCHMSA-N 2 1 331.460 1.476 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666804537 453158207 /nfs/dbraw/zinc/15/82/07/453158207.db2.gz RTPNHENSYSUSON-KRWDZBQOSA-N 2 1 346.475 1.855 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000662460100 453168803 /nfs/dbraw/zinc/16/88/03/453168803.db2.gz PYTPEWITJUZBKG-ULQDDVLXSA-N 2 1 325.497 1.852 20 0 EDADMP CCN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1CC[N@@H+](C)C1 ZINC000664550024 453188070 /nfs/dbraw/zinc/18/80/70/453188070.db2.gz BEYWIOUCBRXRRI-INIZCTEOSA-N 2 1 349.479 1.258 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662492431 453210246 /nfs/dbraw/zinc/21/02/46/453210246.db2.gz KDYHDGYTIREBEG-CABCVRRESA-N 2 1 332.448 1.840 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3[NH2+]CC3(C)C)C2)cc(OC)c1 ZINC000646203005 453214952 /nfs/dbraw/zinc/21/49/52/453214952.db2.gz OWPBEULRBONWKD-YOEHRIQHSA-N 2 1 347.459 1.392 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3[NH2+]CC3(C)C)C2)cc(OC)c1 ZINC000646203005 453214960 /nfs/dbraw/zinc/21/49/60/453214960.db2.gz OWPBEULRBONWKD-YOEHRIQHSA-N 2 1 347.459 1.392 20 0 EDADMP C[C@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000651091524 453260845 /nfs/dbraw/zinc/26/08/45/453260845.db2.gz JDBYZLQNKVFRAE-QGTPRVQTSA-N 2 1 346.475 1.138 20 0 EDADMP C[C@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000651091524 453260853 /nfs/dbraw/zinc/26/08/53/453260853.db2.gz JDBYZLQNKVFRAE-QGTPRVQTSA-N 2 1 346.475 1.138 20 0 EDADMP C[NH2+][C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc(Cl)c1Cl ZINC000662559221 453288056 /nfs/dbraw/zinc/28/80/56/453288056.db2.gz UXISOUSLJPQFAX-RBZYPMLTSA-N 2 1 328.243 1.932 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)c2sc3c(c2Br)C[NH2+]C3)CC[NH2+]1 ZINC000662562877 453290963 /nfs/dbraw/zinc/29/09/63/453290963.db2.gz QQRXYBAOEGFCEN-SFYZADRCSA-N 2 1 344.278 1.984 20 0 EDADMP CN(CC1C[NH+](C)C1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000660422574 453295544 /nfs/dbraw/zinc/29/55/44/453295544.db2.gz WYGMYEBLZKKNOJ-GOSISDBHSA-N 2 1 330.476 1.854 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000666978306 453298540 /nfs/dbraw/zinc/29/85/40/453298540.db2.gz WJVBGVXJAPNMOI-IAGOWNOFSA-N 2 1 338.496 1.364 20 0 EDADMP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000653112855 453299261 /nfs/dbraw/zinc/29/92/61/453299261.db2.gz LEGGVYNAKNUQKL-QZTJIDSGSA-N 2 1 332.492 1.294 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662577773 453305331 /nfs/dbraw/zinc/30/53/31/453305331.db2.gz FJIPDTAPJZIXTC-HNNXBMFYSA-N 2 1 333.480 1.581 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653120544 453311434 /nfs/dbraw/zinc/31/14/34/453311434.db2.gz SWGURSXAKSJPAB-IAGOWNOFSA-N 2 1 345.491 1.098 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000653154623 453344751 /nfs/dbraw/zinc/34/47/51/453344751.db2.gz XCLNWSMIEBPXKL-MSOLQXFVSA-N 2 1 332.492 1.388 20 0 EDADMP CN(CC1C[NH+](C)C1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000660567928 453408518 /nfs/dbraw/zinc/40/85/18/453408518.db2.gz MIRPBNJOQBAGOT-GOSISDBHSA-N 2 1 344.503 1.754 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662689199 453409928 /nfs/dbraw/zinc/40/99/28/453409928.db2.gz UQIWZKJRCUNJNF-ZFWWWQNUSA-N 2 1 345.451 1.164 20 0 EDADMP [NH3+][C@H]1C[C@H](C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)C1 ZINC000662702546 453424431 /nfs/dbraw/zinc/42/44/31/453424431.db2.gz LLOMSAQJOUIJOH-WKILWMFISA-N 2 1 342.443 1.649 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000660587499 453429399 /nfs/dbraw/zinc/42/93/99/453429399.db2.gz STCUOGLXPHJBAQ-UHFFFAOYSA-N 2 1 347.507 1.933 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CCC(CC[NH3+])CC2)c2ccccc2)CC1 ZINC000653256589 453439675 /nfs/dbraw/zinc/43/96/75/453439675.db2.gz FDKZPIFOQOJAFK-IBGZPJMESA-N 2 1 344.503 1.563 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1)[NH+]1CCOCC1 ZINC000662721573 453447448 /nfs/dbraw/zinc/44/74/48/453447448.db2.gz ZGSKMHXQJYCLJI-COXVUDFISA-N 2 1 333.432 1.382 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CCOCC1 ZINC000662729531 453455921 /nfs/dbraw/zinc/45/59/21/453455921.db2.gz SXHKULGVNKNNNW-AWEZNQCLSA-N 2 1 327.375 1.192 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C[C@H](C)O)C3CC3)CC2)CC1 ZINC000655372701 453482832 /nfs/dbraw/zinc/48/28/32/453482832.db2.gz WZEMFJWGRNJQSM-HNNXBMFYSA-N 2 1 337.508 1.555 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660654666 453489864 /nfs/dbraw/zinc/48/98/64/453489864.db2.gz HRMKZCRVHGOLFG-QUCCMNQESA-N 2 1 348.487 1.990 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000662803999 453539016 /nfs/dbraw/zinc/53/90/16/453539016.db2.gz AOBUJIVEVCZTGQ-QXCFHYIPSA-N 2 1 345.487 1.767 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662846556 453568363 /nfs/dbraw/zinc/56/83/63/453568363.db2.gz RKMQDCRCDSCCKT-QAPCUYQASA-N 2 1 331.460 1.933 20 0 EDADMP CC[N@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000660786242 453574008 /nfs/dbraw/zinc/57/40/08/453574008.db2.gz IUPNKPBSMBVWFE-IEBWSBKVSA-N 2 1 346.519 1.822 20 0 EDADMP C[C@]1(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CCC[NH2+]C1 ZINC000662860700 453576125 /nfs/dbraw/zinc/57/61/25/453576125.db2.gz UIAIKOBOVAJIBS-HKUYNNGSSA-N 2 1 331.460 1.259 20 0 EDADMP CN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900555 453593403 /nfs/dbraw/zinc/59/34/03/453593403.db2.gz NKGOMTJYXNTFKG-GBESFXJTSA-N 2 1 348.535 1.249 20 0 EDADMP CN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900555 453593405 /nfs/dbraw/zinc/59/34/05/453593405.db2.gz NKGOMTJYXNTFKG-GBESFXJTSA-N 2 1 348.535 1.249 20 0 EDADMP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899877 453593718 /nfs/dbraw/zinc/59/37/18/453593718.db2.gz HJMCPVLGCGUXQZ-RTBURBONSA-N 2 1 344.503 1.703 20 0 EDADMP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899877 453593721 /nfs/dbraw/zinc/59/37/21/453593721.db2.gz HJMCPVLGCGUXQZ-RTBURBONSA-N 2 1 344.503 1.703 20 0 EDADMP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900533 453594546 /nfs/dbraw/zinc/59/45/46/453594546.db2.gz NCKGAZIYTGDZTM-LJQANCHMSA-N 2 1 342.487 1.530 20 0 EDADMP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900533 453594547 /nfs/dbraw/zinc/59/45/47/453594547.db2.gz NCKGAZIYTGDZTM-LJQANCHMSA-N 2 1 342.487 1.530 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000665289779 453637434 /nfs/dbraw/zinc/63/74/34/453637434.db2.gz XBKANTXTTGHVOY-RCCFBDPRSA-N 3 1 336.524 1.439 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)CC1 ZINC000665289779 453637437 /nfs/dbraw/zinc/63/74/37/453637437.db2.gz XBKANTXTTGHVOY-RCCFBDPRSA-N 2 1 336.524 1.439 20 0 EDADMP CC[N@H+]1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[C@@H]1C ZINC000665386682 453677479 /nfs/dbraw/zinc/67/74/79/453677479.db2.gz CYTSMPWQTOMTGI-HOCLYGCPSA-N 2 1 325.522 1.757 20 0 EDADMP CCCn1nccc1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000657344524 453770290 /nfs/dbraw/zinc/77/02/90/453770290.db2.gz AXOMVNSRYIAVHJ-UHFFFAOYSA-N 2 1 343.475 1.874 20 0 EDADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000663362883 453779022 /nfs/dbraw/zinc/77/90/22/453779022.db2.gz DMAQPUXBPKSTHR-RTBURBONSA-N 2 1 348.487 1.886 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663363083 453780119 /nfs/dbraw/zinc/78/01/19/453780119.db2.gz GXPOPDYPNFXAFV-MSOLQXFVSA-N 2 1 334.460 1.578 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000676244846 486704804 /nfs/dbraw/zinc/70/48/04/486704804.db2.gz CQAYQTAAUDSUQK-XYJFISCASA-N 2 1 348.491 1.525 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000676244846 486704807 /nfs/dbraw/zinc/70/48/07/486704807.db2.gz CQAYQTAAUDSUQK-XYJFISCASA-N 2 1 348.491 1.525 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000676244846 486704809 /nfs/dbraw/zinc/70/48/09/486704809.db2.gz CQAYQTAAUDSUQK-XYJFISCASA-N 2 1 348.491 1.525 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000676244846 486704812 /nfs/dbraw/zinc/70/48/12/486704812.db2.gz CQAYQTAAUDSUQK-XYJFISCASA-N 2 1 348.491 1.525 20 0 EDADMP C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676243432 486704261 /nfs/dbraw/zinc/70/42/61/486704261.db2.gz MRZSEDAPMIGETL-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676243432 486704264 /nfs/dbraw/zinc/70/42/64/486704264.db2.gz MRZSEDAPMIGETL-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676243432 486704268 /nfs/dbraw/zinc/70/42/68/486704268.db2.gz MRZSEDAPMIGETL-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243432 486704271 /nfs/dbraw/zinc/70/42/71/486704271.db2.gz MRZSEDAPMIGETL-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676332621 486738694 /nfs/dbraw/zinc/73/86/94/486738694.db2.gz PCDOHSFDEKRMNY-MAUKXSAKSA-N 2 1 331.460 1.731 20 0 EDADMP C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676332621 486738700 /nfs/dbraw/zinc/73/87/00/486738700.db2.gz PCDOHSFDEKRMNY-MAUKXSAKSA-N 2 1 331.460 1.731 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](CCO)C(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672725260 486778956 /nfs/dbraw/zinc/77/89/56/486778956.db2.gz HXXLVOIVJRMLAR-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)C1 ZINC000680489447 486789846 /nfs/dbraw/zinc/78/98/46/486789846.db2.gz UWSULIDHZZUZPB-MRXNPFEDSA-N 2 1 345.491 1.000 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)C1 ZINC000680489447 486789852 /nfs/dbraw/zinc/78/98/52/486789852.db2.gz UWSULIDHZZUZPB-MRXNPFEDSA-N 2 1 345.491 1.000 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000676543219 486801273 /nfs/dbraw/zinc/80/12/73/486801273.db2.gz ZYLLMFWAOMAGKB-LVQVYYBASA-N 2 1 326.485 1.077 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000676543219 486801280 /nfs/dbraw/zinc/80/12/80/486801280.db2.gz ZYLLMFWAOMAGKB-LVQVYYBASA-N 2 1 326.485 1.077 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000676543219 486801286 /nfs/dbraw/zinc/80/12/86/486801286.db2.gz ZYLLMFWAOMAGKB-LVQVYYBASA-N 2 1 326.485 1.077 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000676543219 486801293 /nfs/dbraw/zinc/80/12/93/486801293.db2.gz ZYLLMFWAOMAGKB-LVQVYYBASA-N 2 1 326.485 1.077 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000417669626 486805614 /nfs/dbraw/zinc/80/56/14/486805614.db2.gz MFFIAROWOGRURW-VQHPVUNQSA-N 2 1 340.512 1.693 20 0 EDADMP C[NH+](C)CCn1c2cc(NC(=O)C3([NH+](C)C)CC3)ccc2oc1=O ZINC000667578454 486854864 /nfs/dbraw/zinc/85/48/64/486854864.db2.gz VKSMNKWPZVSBEM-UHFFFAOYSA-N 2 1 332.404 1.189 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000681188666 486964802 /nfs/dbraw/zinc/96/48/02/486964802.db2.gz OSURXAGGYFTDMX-IRXDYDNUSA-N 2 1 339.528 1.186 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000673670666 487085229 /nfs/dbraw/zinc/08/52/29/487085229.db2.gz KAHJZWUOHIUJCP-HKUYNNGSSA-N 2 1 331.460 1.034 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673866456 487139407 /nfs/dbraw/zinc/13/94/07/487139407.db2.gz CNRKVLIICFQURM-INIZCTEOSA-N 2 1 336.484 1.783 20 0 EDADMP OCC[C@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@@H](CCO)C2)C1 ZINC000674232629 487219566 /nfs/dbraw/zinc/21/95/66/487219566.db2.gz HNELICSSWJCWHD-HDICACEKSA-N 2 1 328.497 1.192 20 0 EDADMP OCC[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](CCO)C2)C1 ZINC000674232629 487219569 /nfs/dbraw/zinc/21/95/69/487219569.db2.gz HNELICSSWJCWHD-HDICACEKSA-N 2 1 328.497 1.192 20 0 EDADMP OCC[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](CCO)C2)C1 ZINC000674232629 487219570 /nfs/dbraw/zinc/21/95/70/487219570.db2.gz HNELICSSWJCWHD-HDICACEKSA-N 2 1 328.497 1.192 20 0 EDADMP CN(CC[N@@H+](C)Cc1ccccc1-n1cncn1)C1CC[NH+](C)CC1 ZINC000685454750 487278030 /nfs/dbraw/zinc/27/80/30/487278030.db2.gz DPNWFFXGACDRJU-UHFFFAOYSA-N 2 1 342.491 1.725 20 0 EDADMP CN1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000685581861 487298801 /nfs/dbraw/zinc/29/88/01/487298801.db2.gz XPXDRPDBPMGKND-JCGIZDLHSA-N 2 1 339.430 1.756 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccn(C(F)F)n1 ZINC000678828028 487368741 /nfs/dbraw/zinc/36/87/41/487368741.db2.gz KXYYQEUIAXIMFC-ZDUSSCGKSA-N 2 1 343.422 1.766 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000675191991 487387434 /nfs/dbraw/zinc/38/74/34/487387434.db2.gz SLRKJHRMKKXAAJ-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000682613060 487396981 /nfs/dbraw/zinc/39/69/81/487396981.db2.gz FJPHVGSTRXGNFE-SFHVURJKSA-N 2 1 348.491 1.481 20 0 EDADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(-n2cnnn2)c1 ZINC000675838826 487449889 /nfs/dbraw/zinc/44/98/89/487449889.db2.gz OIPSSRWZUKJTER-QAPCUYQASA-N 2 1 344.463 1.550 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675898285 487458049 /nfs/dbraw/zinc/45/80/49/487458049.db2.gz KSXFEPNIXNNDFM-YLJYHZDGSA-N 3 1 331.504 1.943 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675898285 487458051 /nfs/dbraw/zinc/45/80/51/487458051.db2.gz KSXFEPNIXNNDFM-YLJYHZDGSA-N 3 1 331.504 1.943 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669534146 485512178 /nfs/dbraw/zinc/51/21/78/485512178.db2.gz OEEXAOYBOJLCPN-NCOADZHNSA-N 2 1 336.480 1.023 20 0 EDADMP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000333251702 485539873 /nfs/dbraw/zinc/53/98/73/485539873.db2.gz GYCZXCYCDUJSRN-SOUVJXGZSA-N 2 1 327.428 1.935 20 0 EDADMP [NH3+][C@@H]1CCCN(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000669570311 485588570 /nfs/dbraw/zinc/58/85/70/485588570.db2.gz OIUYIIFWLUSRII-SJORKVTESA-N 2 1 348.516 1.737 20 0 EDADMP [NH3+][C@@H]1CCCN(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000669570311 485588577 /nfs/dbraw/zinc/58/85/77/485588577.db2.gz OIUYIIFWLUSRII-SJORKVTESA-N 2 1 348.516 1.737 20 0 EDADMP [NH3+]C/C=C\CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000669570380 485589394 /nfs/dbraw/zinc/58/93/94/485589394.db2.gz CNXZVBYEEKUCCM-CHYADLBTSA-N 2 1 332.448 1.092 20 0 EDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)CC(C)(C)[NH3+] ZINC000237354825 485976966 /nfs/dbraw/zinc/97/69/66/485976966.db2.gz UNWUTRKPNLQZEC-UHFFFAOYSA-N 2 1 348.447 1.149 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000237607331 485994062 /nfs/dbraw/zinc/99/40/62/485994062.db2.gz FQVZMXQKQPGIRG-GASCZTMLSA-N 2 1 334.464 1.369 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669388175 486023467 /nfs/dbraw/zinc/02/34/67/486023467.db2.gz RXSLMPDCMVPEMX-YESZJQIVSA-N 2 1 334.508 1.892 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000669389683 486025491 /nfs/dbraw/zinc/02/54/91/486025491.db2.gz UDQXORGNWBISIE-HIFRSBDPSA-N 2 1 336.505 1.936 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000669389683 486025494 /nfs/dbraw/zinc/02/54/94/486025494.db2.gz UDQXORGNWBISIE-HIFRSBDPSA-N 2 1 336.505 1.936 20 0 EDADMP C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000670443678 486523992 /nfs/dbraw/zinc/52/39/92/486523992.db2.gz GZUIRHMJHZERRP-XMTFNYHQSA-N 2 1 337.508 1.961 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000275497959 486536562 /nfs/dbraw/zinc/53/65/62/486536562.db2.gz BXOITWNAIARJDV-FGTMMUONSA-N 2 1 331.460 1.664 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000275497959 486536566 /nfs/dbraw/zinc/53/65/66/486536566.db2.gz BXOITWNAIARJDV-FGTMMUONSA-N 2 1 331.460 1.664 20 0 EDADMP CN1CC(=O)N(CC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000659972604 486635359 /nfs/dbraw/zinc/63/53/59/486635359.db2.gz BTEOSMDHVQSCNU-KRWDZBQOSA-N 2 1 344.459 1.334 20 0 EDADMP CN1CC(=O)N(CC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000659972604 486635361 /nfs/dbraw/zinc/63/53/61/486635361.db2.gz BTEOSMDHVQSCNU-KRWDZBQOSA-N 2 1 344.459 1.334 20 0 EDADMP CN1CC(=O)N(CC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000659972604 486635363 /nfs/dbraw/zinc/63/53/63/486635363.db2.gz BTEOSMDHVQSCNU-KRWDZBQOSA-N 2 1 344.459 1.334 20 0 EDADMP CN1CC(=O)N(CC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000659972604 486635364 /nfs/dbraw/zinc/63/53/64/486635364.db2.gz BTEOSMDHVQSCNU-KRWDZBQOSA-N 2 1 344.459 1.334 20 0 EDADMP CN(C)C[C@@](C)(O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000131466698 491212953 /nfs/dbraw/zinc/21/29/53/491212953.db2.gz VWKWAJRQTZGVLP-IBGZPJMESA-N 2 1 335.492 1.563 20 0 EDADMP C[C@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000133706896 491221788 /nfs/dbraw/zinc/22/17/88/491221788.db2.gz NEAACCROGZFUKD-YVSFHVDLSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@H](NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000133706896 491221790 /nfs/dbraw/zinc/22/17/90/491221790.db2.gz NEAACCROGZFUKD-YVSFHVDLSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000133706896 491221792 /nfs/dbraw/zinc/22/17/92/491221792.db2.gz NEAACCROGZFUKD-YVSFHVDLSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133706896 491221794 /nfs/dbraw/zinc/22/17/94/491221794.db2.gz NEAACCROGZFUKD-YVSFHVDLSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000073103937 491007539 /nfs/dbraw/zinc/00/75/39/491007539.db2.gz ZORDIQZWYUQKPU-AEFFLSMTSA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000073103937 491007540 /nfs/dbraw/zinc/00/75/40/491007540.db2.gz ZORDIQZWYUQKPU-AEFFLSMTSA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000073103937 491007541 /nfs/dbraw/zinc/00/75/41/491007541.db2.gz ZORDIQZWYUQKPU-AEFFLSMTSA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000073103937 491007542 /nfs/dbraw/zinc/00/75/42/491007542.db2.gz ZORDIQZWYUQKPU-AEFFLSMTSA-N 2 1 330.476 1.893 20 0 EDADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000073476667 491008819 /nfs/dbraw/zinc/00/88/19/491008819.db2.gz JTPDMIKUTUMVAU-KRWDZBQOSA-N 2 1 335.492 1.622 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1C1CC1 ZINC000127607381 491016746 /nfs/dbraw/zinc/01/67/46/491016746.db2.gz JBVFJURHNPATQT-LSDHHAIUSA-N 2 1 329.448 1.538 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000362993057 518177166 /nfs/dbraw/zinc/17/71/66/518177166.db2.gz CNKICRXEGIMBGB-FUHWJXTLSA-N 2 1 347.507 1.933 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000363366289 521707678 /nfs/dbraw/zinc/70/76/78/521707678.db2.gz BNSYAKMHMKRFJV-HNNXBMFYSA-N 2 1 325.478 1.359 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000363366289 521707680 /nfs/dbraw/zinc/70/76/80/521707680.db2.gz BNSYAKMHMKRFJV-HNNXBMFYSA-N 2 1 325.478 1.359 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000346387025 535208205 /nfs/dbraw/zinc/20/82/05/535208205.db2.gz ZFIKUKHMTZVQDS-IXDOHACOSA-N 2 1 341.496 1.101 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000346387025 535208208 /nfs/dbraw/zinc/20/82/08/535208208.db2.gz ZFIKUKHMTZVQDS-IXDOHACOSA-N 2 1 341.496 1.101 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC[N@@H+]1C ZINC000339610646 535211172 /nfs/dbraw/zinc/21/11/72/535211172.db2.gz MGESXGXTUCZMOB-MRXNPFEDSA-N 2 1 340.512 1.020 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC[N@H+]1C ZINC000339610646 535211176 /nfs/dbraw/zinc/21/11/76/535211176.db2.gz MGESXGXTUCZMOB-MRXNPFEDSA-N 2 1 340.512 1.020 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000347206061 535432228 /nfs/dbraw/zinc/43/22/28/535432228.db2.gz DZDSDMBJXPGVKQ-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000347206061 535432233 /nfs/dbraw/zinc/43/22/33/535432233.db2.gz DZDSDMBJXPGVKQ-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000347206061 535432237 /nfs/dbraw/zinc/43/22/37/535432237.db2.gz DZDSDMBJXPGVKQ-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000344810613 535577154 /nfs/dbraw/zinc/57/71/54/535577154.db2.gz HLHOEEDLOBWYLE-HOCLYGCPSA-N 2 1 336.480 1.074 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000347012845 535692292 /nfs/dbraw/zinc/69/22/92/535692292.db2.gz KUFVMASDCSENGC-INIZCTEOSA-N 2 1 326.529 1.687 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)C1 ZINC000074680348 535759196 /nfs/dbraw/zinc/75/91/96/535759196.db2.gz AQMJXOBFNXGTPD-QGZVFWFLSA-N 2 1 335.448 1.595 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)C1 ZINC000074680348 535759203 /nfs/dbraw/zinc/75/92/03/535759203.db2.gz AQMJXOBFNXGTPD-QGZVFWFLSA-N 2 1 335.448 1.595 20 0 EDADMP C[NH2+][C@H](C)Cc1noc([C@H](c2ccccc2)N2CC[NH+](C)CC2)n1 ZINC000261811943 536405831 /nfs/dbraw/zinc/40/58/31/536405831.db2.gz PWPMLIDGMFEXNH-PBHICJAKSA-N 2 1 329.448 1.557 20 0 EDADMP COc1cc(C)[nH+]c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000339818820 536690813 /nfs/dbraw/zinc/69/08/13/536690813.db2.gz CLJZZXPWEFPDIE-UHFFFAOYSA-N 2 1 332.448 1.139 20 0 EDADMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)ccc1OCc1ccccc1 ZINC000262171552 536801046 /nfs/dbraw/zinc/80/10/46/536801046.db2.gz VGLVQVVTQDQTCO-ROUUACIJSA-N 2 1 342.439 1.944 20 0 EDADMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000728906569 578554091 /nfs/dbraw/zinc/55/40/91/578554091.db2.gz ARFVKOJKTVFYET-UHFFFAOYSA-N 2 1 336.480 1.862 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000728906569 578554092 /nfs/dbraw/zinc/55/40/92/578554092.db2.gz ARFVKOJKTVFYET-UHFFFAOYSA-N 2 1 336.480 1.862 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000729929097 578604109 /nfs/dbraw/zinc/60/41/09/578604109.db2.gz BAVCVYIJUMSIOS-MISYRCLQSA-N 2 1 347.503 1.183 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000732448207 578712752 /nfs/dbraw/zinc/71/27/52/578712752.db2.gz FPZAHNAHLSCBNY-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CCC(OCC[NH+](C)C)CC1 ZINC000732624535 578721173 /nfs/dbraw/zinc/72/11/73/578721173.db2.gz QLCNYLQKEHWCFS-HNNXBMFYSA-N 2 1 342.553 1.388 20 0 EDADMP C[C@H](CNC(=S)NCC(C)(C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000737459843 579094181 /nfs/dbraw/zinc/09/41/81/579094181.db2.gz JNLRKGLFEYYMLX-CQSZACIVSA-N 2 1 330.542 1.007 20 0 EDADMP C[C@@H](CNC(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000747553937 579648660 /nfs/dbraw/zinc/64/86/60/579648660.db2.gz AVZUYFPLDJGJGG-CABCVRRESA-N 2 1 336.484 1.829 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000751317931 579801396 /nfs/dbraw/zinc/80/13/96/579801396.db2.gz PVUWLRGKXKOKOD-GOSISDBHSA-N 2 1 331.460 1.662 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)Nc2cccc3c2CC[NH+](CC(C)(C)O)C3)C1 ZINC000753123166 579873102 /nfs/dbraw/zinc/87/31/02/579873102.db2.gz XEYFFTDMXFYYQN-HNNXBMFYSA-N 2 1 331.460 1.706 20 0 EDADMP C[NH+]1CC[C@H](C(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)C1 ZINC000753123166 579873103 /nfs/dbraw/zinc/87/31/03/579873103.db2.gz XEYFFTDMXFYYQN-HNNXBMFYSA-N 2 1 331.460 1.706 20 0 EDADMP C[NH+]1CC[C@H](C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)C1 ZINC000753123166 579873104 /nfs/dbraw/zinc/87/31/04/579873104.db2.gz XEYFFTDMXFYYQN-HNNXBMFYSA-N 2 1 331.460 1.706 20 0 EDADMP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000754784538 579912074 /nfs/dbraw/zinc/91/20/74/579912074.db2.gz FREGKDQTUPYSGU-SJORKVTESA-N 2 1 337.489 1.322 20 0 EDADMP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754784538 579912075 /nfs/dbraw/zinc/91/20/75/579912075.db2.gz FREGKDQTUPYSGU-SJORKVTESA-N 2 1 337.489 1.322 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@H+](CN3C(=O)c4cccc(N)c4C3=O)C2)CC1 ZINC000755779674 579934820 /nfs/dbraw/zinc/93/48/20/579934820.db2.gz LGPSCMDSKRZGIE-AWEZNQCLSA-N 2 1 342.443 1.486 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@@H+](CN3C(=O)c4cccc(N)c4C3=O)C2)CC1 ZINC000755779674 579934821 /nfs/dbraw/zinc/93/48/21/579934821.db2.gz LGPSCMDSKRZGIE-AWEZNQCLSA-N 2 1 342.443 1.486 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)CCC[NH+](C)C ZINC000758380868 579981053 /nfs/dbraw/zinc/98/10/53/579981053.db2.gz BADFOHGZZHQRGE-UHFFFAOYSA-N 2 1 330.436 1.669 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)[C@H](C)C1 ZINC000765280843 580139242 /nfs/dbraw/zinc/13/92/42/580139242.db2.gz TXUSIOWUIFBZKV-NVXWUHKLSA-N 2 1 339.505 1.426 20 0 EDADMP C[NH+]1CCC(CNC(=S)NCC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000766535648 580169169 /nfs/dbraw/zinc/16/91/69/580169169.db2.gz AIWDYKXZJQQTLU-UHFFFAOYSA-N 2 1 326.554 1.914 20 0 EDADMP Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)nc(N)[nH+]1 ZINC000767312921 580186219 /nfs/dbraw/zinc/18/62/19/580186219.db2.gz VBQLOTZJMILEEJ-INIZCTEOSA-N 2 1 327.432 1.936 20 0 EDADMP CC(C)CCc1noc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000779652973 580493237 /nfs/dbraw/zinc/49/32/37/580493237.db2.gz RVKYEFVCESZZDJ-CYBMUJFWSA-N 2 1 339.440 1.766 20 0 EDADMP CC(C)CCc1noc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000779652973 580493238 /nfs/dbraw/zinc/49/32/38/580493238.db2.gz RVKYEFVCESZZDJ-CYBMUJFWSA-N 2 1 339.440 1.766 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000779654740 580493485 /nfs/dbraw/zinc/49/34/85/580493485.db2.gz QSPYKLOPOQWAFD-QLFBSQMISA-N 2 1 340.468 1.289 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000779654740 580493486 /nfs/dbraw/zinc/49/34/86/580493486.db2.gz QSPYKLOPOQWAFD-QLFBSQMISA-N 2 1 340.468 1.289 20 0 EDADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](C(=O)OC)CC1=O ZINC000782270089 580570202 /nfs/dbraw/zinc/57/02/02/580570202.db2.gz ODBKAYRHZXFVOH-QGZVFWFLSA-N 2 1 347.459 1.549 20 0 EDADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](C(=O)OC)CC1=O ZINC000782270089 580570203 /nfs/dbraw/zinc/57/02/03/580570203.db2.gz ODBKAYRHZXFVOH-QGZVFWFLSA-N 2 1 347.459 1.549 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000785825884 580654272 /nfs/dbraw/zinc/65/42/72/580654272.db2.gz PLAMDLLDWVPWGG-OAHLLOKOSA-N 2 1 334.464 1.683 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000785825884 580654273 /nfs/dbraw/zinc/65/42/73/580654273.db2.gz PLAMDLLDWVPWGG-OAHLLOKOSA-N 2 1 334.464 1.683 20 0 EDADMP CN1C[C@H]2CC[NH+](CCCCCC[N@@H+]3CC[C@H]4CN(C)C[C@H]43)[C@@H]2C1 ZINC000794948619 580908650 /nfs/dbraw/zinc/90/86/50/580908650.db2.gz KURWUJDQNDUBQR-IYWMVGAKSA-N 2 1 334.552 1.819 20 0 EDADMP CN1C[C@H]2CC[N@@H+](CCCCCC[NH+]3CC[C@H]4CN(C)C[C@H]43)[C@@H]2C1 ZINC000794948619 580908651 /nfs/dbraw/zinc/90/86/51/580908651.db2.gz KURWUJDQNDUBQR-IYWMVGAKSA-N 2 1 334.552 1.819 20 0 EDADMP CN1C[C@H]2CC[N@H+](CCCCCC[NH+]3CC[C@H]4CN(C)C[C@H]43)[C@@H]2C1 ZINC000794948619 580908652 /nfs/dbraw/zinc/90/86/52/580908652.db2.gz KURWUJDQNDUBQR-IYWMVGAKSA-N 2 1 334.552 1.819 20 0 EDADMP CC[C@@H]1OCC[C@H]1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000795927179 580941459 /nfs/dbraw/zinc/94/14/59/580941459.db2.gz BTALOPBAHKVBDL-ZACQAIPSSA-N 2 1 325.497 1.676 20 0 EDADMP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000891816302 590634577 /nfs/dbraw/zinc/63/45/77/590634577.db2.gz VKVZRKPGHHXCNU-SJLPKXTDSA-N 2 1 346.475 1.473 20 0 EDADMP c1cc(N[C@H]2CC[N@H+](C3CC3)C2)nc(N[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000892001202 590737113 /nfs/dbraw/zinc/73/71/13/590737113.db2.gz YPZUYYAQNUGRFY-UONOGXRCSA-N 2 1 328.464 1.774 20 0 EDADMP c1cc(N[C@H]2CC[NH+](C3CC3)C2)nc(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000892001202 590737116 /nfs/dbraw/zinc/73/71/16/590737116.db2.gz YPZUYYAQNUGRFY-UONOGXRCSA-N 2 1 328.464 1.774 20 0 EDADMP c1cc(N[C@H]2CC[NH+](C3CC3)C2)nc(N[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000892001202 590737121 /nfs/dbraw/zinc/73/71/21/590737121.db2.gz YPZUYYAQNUGRFY-UONOGXRCSA-N 2 1 328.464 1.774 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000892023869 590754231 /nfs/dbraw/zinc/75/42/31/590754231.db2.gz LEWSYHDTYJPYSN-ZWKOTPCHSA-N 2 1 346.475 1.232 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000892023869 590754232 /nfs/dbraw/zinc/75/42/32/590754232.db2.gz LEWSYHDTYJPYSN-ZWKOTPCHSA-N 2 1 346.475 1.232 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000892117976 590808392 /nfs/dbraw/zinc/80/83/92/590808392.db2.gz BENJVOKZJQLOCV-DOTOQJQBSA-N 2 1 346.475 1.018 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000892148301 590822304 /nfs/dbraw/zinc/82/23/04/590822304.db2.gz XKAGFQOTIBIWED-DLBZAZTESA-N 2 1 334.464 1.232 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000892148301 590822309 /nfs/dbraw/zinc/82/23/09/590822309.db2.gz XKAGFQOTIBIWED-DLBZAZTESA-N 2 1 334.464 1.232 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000892186705 590853257 /nfs/dbraw/zinc/85/32/57/590853257.db2.gz BKTJHNMRACIOGP-SCNOPHJPSA-N 2 1 328.460 1.860 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000892186705 590853272 /nfs/dbraw/zinc/85/32/72/590853272.db2.gz BKTJHNMRACIOGP-SCNOPHJPSA-N 2 1 328.460 1.860 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)CCSC1 ZINC000893415877 590855919 /nfs/dbraw/zinc/85/59/19/590855919.db2.gz HHGFDXXMMOFXJQ-IIAWOOMASA-N 2 1 326.510 1.302 20 0 EDADMP CCc1ccc(C[NH+]2CCN(C(=O)NCCOCC[NH2+]C)CC2)cc1 ZINC000892279751 590910095 /nfs/dbraw/zinc/91/00/95/590910095.db2.gz BGLCSPFGBKFQRA-UHFFFAOYSA-N 2 1 348.491 1.312 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCCOCCC[NH3+])C2)cc1 ZINC000892292436 590919314 /nfs/dbraw/zinc/91/93/14/590919314.db2.gz RJGQNWXONDOYGO-QGZVFWFLSA-N 2 1 334.464 1.234 20 0 EDADMP C[NH+]1CCC(CCO)([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000893600095 591001004 /nfs/dbraw/zinc/00/10/04/591001004.db2.gz BUTRCJGWZOHYBY-GASCZTMLSA-N 2 1 341.496 1.726 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892391768 591007809 /nfs/dbraw/zinc/00/78/09/591007809.db2.gz KQATXAHVTHVHNU-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nc(N)cc(C)[nH+]3)CC2)CC1 ZINC000892429490 591024862 /nfs/dbraw/zinc/02/48/62/591024862.db2.gz LXDKOIMCEZRCEB-UHFFFAOYSA-N 2 1 346.479 1.138 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H]([NH3+])C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000891361751 591060068 /nfs/dbraw/zinc/06/00/68/591060068.db2.gz UHTOTCIVVJNWST-BRWVUGGUSA-N 2 1 345.491 1.328 20 0 EDADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000891363876 591061230 /nfs/dbraw/zinc/06/12/30/591061230.db2.gz NUVSQUHZCUDSHM-PMPSAXMXSA-N 2 1 336.480 1.071 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891408209 591068422 /nfs/dbraw/zinc/06/84/22/591068422.db2.gz ZGSWJLGXJBPQBU-MAUKXSAKSA-N 2 1 340.431 1.327 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000891508549 591098353 /nfs/dbraw/zinc/09/83/53/591098353.db2.gz NQVNLRXXBARJAT-BPQIPLTHSA-N 2 1 330.476 1.682 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000891538394 591112981 /nfs/dbraw/zinc/11/29/81/591112981.db2.gz XJNJYEMKYCGSTG-GJZGRUSLSA-N 2 1 326.485 1.175 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)oc1C ZINC000891543366 591117335 /nfs/dbraw/zinc/11/73/35/591117335.db2.gz JJICFQLWTBATCZ-IYBDPMFKSA-N 2 1 349.479 1.540 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000893867907 591120654 /nfs/dbraw/zinc/12/06/54/591120654.db2.gz UHYIIYAKUPWWJH-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000891594107 591140047 /nfs/dbraw/zinc/14/00/47/591140047.db2.gz UZVNBQDGIRQZQB-NXHRZFHOSA-N 2 1 346.475 1.409 20 0 EDADMP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000891594107 591140049 /nfs/dbraw/zinc/14/00/49/591140049.db2.gz UZVNBQDGIRQZQB-NXHRZFHOSA-N 2 1 346.475 1.409 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)Cc1ccccc1 ZINC000891626675 591156269 /nfs/dbraw/zinc/15/62/69/591156269.db2.gz MTOXFGAYPXPKGD-MSOLQXFVSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000891626675 591156270 /nfs/dbraw/zinc/15/62/70/591156270.db2.gz MTOXFGAYPXPKGD-MSOLQXFVSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000891626675 591156272 /nfs/dbraw/zinc/15/62/72/591156272.db2.gz MTOXFGAYPXPKGD-MSOLQXFVSA-N 2 1 330.476 1.854 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892789083 591179255 /nfs/dbraw/zinc/17/92/55/591179255.db2.gz NGTBYOYVLBNEEK-DLBZAZTESA-N 2 1 330.476 1.873 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892789085 591179517 /nfs/dbraw/zinc/17/95/17/591179517.db2.gz NGTBYOYVLBNEEK-IAGOWNOFSA-N 2 1 330.476 1.873 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000892880943 591213194 /nfs/dbraw/zinc/21/31/94/591213194.db2.gz MFDCNTVKHNRJQG-GFCCVEGCSA-N 2 1 337.493 1.354 20 0 EDADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895696748 591257166 /nfs/dbraw/zinc/25/71/66/591257166.db2.gz GFZJUCOFLIGSSE-RTBURBONSA-N 2 1 343.471 1.488 20 0 EDADMP C[NH+](C)CCc1ccc(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1 ZINC000894346631 591285746 /nfs/dbraw/zinc/28/57/46/591285746.db2.gz VGEKJNHSELIRKE-AZUAARDMSA-N 2 1 344.503 1.884 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000894457191 591316299 /nfs/dbraw/zinc/31/62/99/591316299.db2.gz VHDYAHHASQVGIM-JKSUJKDBSA-N 2 1 341.496 1.942 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000894457191 591316301 /nfs/dbraw/zinc/31/63/01/591316301.db2.gz VHDYAHHASQVGIM-JKSUJKDBSA-N 2 1 341.496 1.942 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000894454962 591316888 /nfs/dbraw/zinc/31/68/88/591316888.db2.gz CQNAORGGLZFKQS-LSDHHAIUSA-N 2 1 331.526 1.366 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000896059234 591331374 /nfs/dbraw/zinc/33/13/74/591331374.db2.gz UUEYTDJHYGKPOR-QGZVFWFLSA-N 2 1 331.460 1.909 20 0 EDADMP CC(C)(C)N1CC[C@@H]1C(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000896059234 591331378 /nfs/dbraw/zinc/33/13/78/591331378.db2.gz UUEYTDJHYGKPOR-QGZVFWFLSA-N 2 1 331.460 1.909 20 0 EDADMP Cn1cnc(CNC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000898615390 591441494 /nfs/dbraw/zinc/44/14/94/591441494.db2.gz GSOQLKSHXFGVKG-SFHVURJKSA-N 2 1 327.432 1.884 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000894924831 591478953 /nfs/dbraw/zinc/47/89/53/591478953.db2.gz BYCGIMPVBNSAMM-BRWVUGGUSA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000894924831 591478956 /nfs/dbraw/zinc/47/89/56/591478956.db2.gz BYCGIMPVBNSAMM-BRWVUGGUSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000894987165 591512829 /nfs/dbraw/zinc/51/28/29/591512829.db2.gz MIENCRGHTHWPAA-ZACQAIPSSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000894987165 591512833 /nfs/dbraw/zinc/51/28/33/591512833.db2.gz MIENCRGHTHWPAA-ZACQAIPSSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000894987165 591512837 /nfs/dbraw/zinc/51/28/37/591512837.db2.gz MIENCRGHTHWPAA-ZACQAIPSSA-N 2 1 340.512 1.347 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NCC[NH+]2CCC[C@@H]2C)C[C@@H]1C ZINC000897514032 591514721 /nfs/dbraw/zinc/51/47/21/591514721.db2.gz LEXZXMDZDKVHMT-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NCC[N@@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC000897514032 591514724 /nfs/dbraw/zinc/51/47/24/591514724.db2.gz LEXZXMDZDKVHMT-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NCC[N@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC000897514032 591514729 /nfs/dbraw/zinc/51/47/29/591514729.db2.gz LEXZXMDZDKVHMT-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[NH+]1CCSCC1 ZINC000895269085 591689164 /nfs/dbraw/zinc/68/91/64/591689164.db2.gz RMPPCHGMJQRIDF-HUUCEWRRSA-N 2 1 334.489 1.556 20 0 EDADMP COC(=O)c1ccc(CNC[C@H]2CC[N@@H+]2C2CCOCC2)cc1F ZINC000897228410 591778544 /nfs/dbraw/zinc/77/85/44/591778544.db2.gz KYMVEVBVNKWNPQ-OAHLLOKOSA-N 2 1 336.407 1.955 20 0 EDADMP COC(=O)c1ccc(CNC[C@H]2CC[N@H+]2C2CCOCC2)cc1F ZINC000897228410 591778545 /nfs/dbraw/zinc/77/85/45/591778545.db2.gz KYMVEVBVNKWNPQ-OAHLLOKOSA-N 2 1 336.407 1.955 20 0 EDADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898284802 591853073 /nfs/dbraw/zinc/85/30/73/591853073.db2.gz PGFQCPFZGHONCA-SUMWQHHRSA-N 2 1 337.489 1.655 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898284802 591853080 /nfs/dbraw/zinc/85/30/80/591853080.db2.gz PGFQCPFZGHONCA-SUMWQHHRSA-N 2 1 337.489 1.655 20 0 EDADMP CC[N@@H+]1CCc2nc(NC(=O)C[C@@]3(O)CCC[NH+](C)C3)sc2C1 ZINC000900017969 591869724 /nfs/dbraw/zinc/86/97/24/591869724.db2.gz BVSKPXHQQGHADA-INIZCTEOSA-N 2 1 338.477 1.306 20 0 EDADMP CC[N@H+]1CCc2nc(NC(=O)C[C@@]3(O)CCC[NH+](C)C3)sc2C1 ZINC000900017969 591869725 /nfs/dbraw/zinc/86/97/25/591869725.db2.gz BVSKPXHQQGHADA-INIZCTEOSA-N 2 1 338.477 1.306 20 0 EDADMP CC[NH+]1CCc2nc(NC(=O)C[C@@]3(O)CCC[N@H+](C)C3)sc2C1 ZINC000900017969 591869727 /nfs/dbraw/zinc/86/97/27/591869727.db2.gz BVSKPXHQQGHADA-INIZCTEOSA-N 2 1 338.477 1.306 20 0 EDADMP CC[NH+]1CCc2nc(NC(=O)C[C@@]3(O)CCC[N@@H+](C)C3)sc2C1 ZINC000900017969 591869729 /nfs/dbraw/zinc/86/97/29/591869729.db2.gz BVSKPXHQQGHADA-INIZCTEOSA-N 2 1 338.477 1.306 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000900179164 591930405 /nfs/dbraw/zinc/93/04/05/591930405.db2.gz GUJXZIGSZBLAIG-ZHALLVOQSA-N 2 1 331.460 1.222 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000900179164 591930407 /nfs/dbraw/zinc/93/04/07/591930407.db2.gz GUJXZIGSZBLAIG-ZHALLVOQSA-N 2 1 331.460 1.222 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000900179164 591930409 /nfs/dbraw/zinc/93/04/09/591930409.db2.gz GUJXZIGSZBLAIG-ZHALLVOQSA-N 2 1 331.460 1.222 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000900179164 591930410 /nfs/dbraw/zinc/93/04/10/591930410.db2.gz GUJXZIGSZBLAIG-ZHALLVOQSA-N 2 1 331.460 1.222 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000900216491 591946367 /nfs/dbraw/zinc/94/63/67/591946367.db2.gz NDFCTZIIXBKMEF-ROUUACIJSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000900216491 591946371 /nfs/dbraw/zinc/94/63/71/591946371.db2.gz NDFCTZIIXBKMEF-ROUUACIJSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000900216491 591946375 /nfs/dbraw/zinc/94/63/75/591946375.db2.gz NDFCTZIIXBKMEF-ROUUACIJSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C1([NH3+])CC1 ZINC000902353230 591985500 /nfs/dbraw/zinc/98/55/00/591985500.db2.gz XPOJARSHFKNBNU-ZNMIVQPWSA-N 2 1 331.460 1.905 20 0 EDADMP Cc1cc(C(=O)CONC(=[NH2+])[C@H]2C[N@H+]3CCC[C@H]3CO2)c(C)n1C ZINC000902811573 592069117 /nfs/dbraw/zinc/06/91/17/592069117.db2.gz ZDBNMSRCZULYQK-XJKSGUPXSA-N 2 1 334.420 1.186 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)C[NH+](CC)CC)C1 ZINC000900695308 592088363 /nfs/dbraw/zinc/08/83/63/592088363.db2.gz OTPOLEAETZSKIN-LSDHHAIUSA-N 2 1 327.469 1.108 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)C[NH+](CC)CC)C1 ZINC000900695308 592088366 /nfs/dbraw/zinc/08/83/66/592088366.db2.gz OTPOLEAETZSKIN-LSDHHAIUSA-N 2 1 327.469 1.108 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC1 ZINC000900686096 592094234 /nfs/dbraw/zinc/09/42/34/592094234.db2.gz DSGLQLNHNCWCJR-AEFFLSMTSA-N 2 1 325.497 1.412 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900686096 592094237 /nfs/dbraw/zinc/09/42/37/592094237.db2.gz DSGLQLNHNCWCJR-AEFFLSMTSA-N 2 1 325.497 1.412 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900686096 592094240 /nfs/dbraw/zinc/09/42/40/592094240.db2.gz DSGLQLNHNCWCJR-AEFFLSMTSA-N 2 1 325.497 1.412 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]CCN2Cc3ccccc3OCC2=O)CC1(C)C ZINC000903180612 592131115 /nfs/dbraw/zinc/13/11/15/592131115.db2.gz GFKYOKBCLLFGTP-MRXNPFEDSA-N 2 1 331.460 1.870 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCN1C ZINC000900812646 592134256 /nfs/dbraw/zinc/13/42/56/592134256.db2.gz XBFNFZNEQGBALV-QXAKKESOSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCN1C ZINC000900812646 592134258 /nfs/dbraw/zinc/13/42/58/592134258.db2.gz XBFNFZNEQGBALV-QXAKKESOSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCN1C ZINC000900812646 592134259 /nfs/dbraw/zinc/13/42/59/592134259.db2.gz XBFNFZNEQGBALV-QXAKKESOSA-N 2 1 344.503 1.259 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000903240731 592142791 /nfs/dbraw/zinc/14/27/91/592142791.db2.gz AWYVZVXPOHSOBA-CMPLNLGQSA-N 2 1 348.369 1.331 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000903240731 592142793 /nfs/dbraw/zinc/14/27/93/592142793.db2.gz AWYVZVXPOHSOBA-CMPLNLGQSA-N 2 1 348.369 1.331 20 0 EDADMP CN(c1cccc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](C)C3)c1)S(C)(=O)=O ZINC000903424033 592171313 /nfs/dbraw/zinc/17/13/13/592171313.db2.gz LABBMPZTBCCCMC-FKEKPDDDSA-N 2 1 337.489 1.512 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H](C)C(=O)NC1CCCCC1)C2 ZINC000903493437 592185591 /nfs/dbraw/zinc/18/55/91/592185591.db2.gz XTXGOVSNNZZYHE-FLTUCWPJSA-N 2 1 337.464 1.036 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900960490 592186032 /nfs/dbraw/zinc/18/60/32/592186032.db2.gz SKTJLVQQNAVWHP-SFHVURJKSA-N 2 1 347.507 1.599 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900960202 592186067 /nfs/dbraw/zinc/18/60/67/592186067.db2.gz QVMOTRCCMQGNBV-HGKSCXNLSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900960202 592186068 /nfs/dbraw/zinc/18/60/68/592186068.db2.gz QVMOTRCCMQGNBV-HGKSCXNLSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900960202 592186069 /nfs/dbraw/zinc/18/60/69/592186069.db2.gz QVMOTRCCMQGNBV-HGKSCXNLSA-N 2 1 345.487 1.468 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C2 ZINC000903493523 592186329 /nfs/dbraw/zinc/18/63/29/592186329.db2.gz UDONAGHTSBMGRC-CWSCBRNRSA-N 2 1 342.333 1.116 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](OC)c1ccc(F)cc1)C2 ZINC000903494540 592186692 /nfs/dbraw/zinc/18/66/92/592186692.db2.gz IZOPLKCQOJGVGC-ZDRJDWQYSA-N 2 1 336.407 1.726 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000907958522 592233215 /nfs/dbraw/zinc/23/32/15/592233215.db2.gz GDKCJDDHPPCBCC-UHFFFAOYSA-N 2 1 338.540 1.737 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906649246 592233874 /nfs/dbraw/zinc/23/38/74/592233874.db2.gz BDJHKDQTNRSCJJ-HNNXBMFYSA-N 2 1 332.448 1.419 20 0 EDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)C1 ZINC000904381456 592247322 /nfs/dbraw/zinc/24/73/22/592247322.db2.gz PPMKWAVEACMYJD-KKKKKVIPSA-N 2 1 331.382 1.455 20 0 EDADMP C[C@]1(C[N@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)CCC[NH2+]C1 ZINC000904384356 592247341 /nfs/dbraw/zinc/24/73/41/592247341.db2.gz JPEODJLATSATNA-VXNCWWDNSA-N 2 1 337.508 1.508 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906679866 592260897 /nfs/dbraw/zinc/26/08/97/592260897.db2.gz NCHYIGLNKIQJEN-HNNXBMFYSA-N 2 1 332.448 1.372 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000904509710 592273293 /nfs/dbraw/zinc/27/32/93/592273293.db2.gz JYWINTUYHBGAKO-IAGOWNOFSA-N 2 1 332.448 1.469 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000904515191 592275882 /nfs/dbraw/zinc/27/58/82/592275882.db2.gz IYASBLILSHWUGJ-DLBZAZTESA-N 2 1 332.448 1.469 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903726049 592285308 /nfs/dbraw/zinc/28/53/08/592285308.db2.gz JWHSXBKCIMXHKR-DODZYUBVSA-N 2 1 337.508 1.772 20 0 EDADMP c1ccc(C[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000903746313 592293142 /nfs/dbraw/zinc/29/31/42/592293142.db2.gz XRLPKGALYJQNMR-OQIJWPOYSA-N 2 1 331.460 1.830 20 0 EDADMP c1ccc(C[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000903746313 592293146 /nfs/dbraw/zinc/29/31/46/592293146.db2.gz XRLPKGALYJQNMR-OQIJWPOYSA-N 2 1 331.460 1.830 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)[C@@H]1c1ccccc1 ZINC000901233153 592296689 /nfs/dbraw/zinc/29/66/89/592296689.db2.gz KHGJHFCSLAMOAH-NEWSRXKRSA-N 2 1 331.460 1.395 20 0 EDADMP C[NH+]1CC[C@@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)[C@@H]1c1ccccc1 ZINC000901233153 592296692 /nfs/dbraw/zinc/29/66/92/592296692.db2.gz KHGJHFCSLAMOAH-NEWSRXKRSA-N 2 1 331.460 1.395 20 0 EDADMP C[NH+]1CC[C@@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[C@@H]1c1ccccc1 ZINC000901233153 592296696 /nfs/dbraw/zinc/29/66/96/592296696.db2.gz KHGJHFCSLAMOAH-NEWSRXKRSA-N 2 1 331.460 1.395 20 0 EDADMP C[C@@H]1CN(CC[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000903753146 592297154 /nfs/dbraw/zinc/29/71/54/592297154.db2.gz RSQPCIWPPWAZKJ-IXDOHACOSA-N 2 1 325.497 1.186 20 0 EDADMP FC(F)(c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1)C1CC[NH2+]CC1 ZINC000904636608 592299868 /nfs/dbraw/zinc/29/98/68/592299868.db2.gz CSNQXLSGJDJJMN-NEPJUHHUSA-N 2 1 328.363 1.697 20 0 EDADMP FC(F)(c1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1)C1CC[NH2+]CC1 ZINC000904636608 592299872 /nfs/dbraw/zinc/29/98/72/592299872.db2.gz CSNQXLSGJDJJMN-NEPJUHHUSA-N 2 1 328.363 1.697 20 0 EDADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000903740142 592301581 /nfs/dbraw/zinc/30/15/81/592301581.db2.gz SEFWTWSBMCAXFN-CVEARBPZSA-N 2 1 345.491 1.562 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903766864 592309877 /nfs/dbraw/zinc/30/98/77/592309877.db2.gz SODKXNKEMUPLAV-DLBZAZTESA-N 3 1 325.497 1.188 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903766864 592309880 /nfs/dbraw/zinc/30/98/80/592309880.db2.gz SODKXNKEMUPLAV-DLBZAZTESA-N 3 1 325.497 1.188 20 0 EDADMP c1c([C@@H]2CCC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000903770146 592310776 /nfs/dbraw/zinc/31/07/76/592310776.db2.gz TUEDYWLKAHDWBN-DLBZAZTESA-N 3 1 346.523 1.388 20 0 EDADMP c1c([C@@H]2CCCN(C[C@H]3CCCC[NH2+]C3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000903770146 592310780 /nfs/dbraw/zinc/31/07/80/592310780.db2.gz TUEDYWLKAHDWBN-DLBZAZTESA-N 2 1 346.523 1.388 20 0 EDADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2nnc3n2CCOC3)CC1 ZINC000903792379 592315593 /nfs/dbraw/zinc/31/55/93/592315593.db2.gz AHXHGQLCCJECDU-UHFFFAOYSA-N 2 1 327.432 1.301 20 0 EDADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2[C@H]2CCN(C3CCOCC3)C2=O)CCC1 ZINC000903814615 592324764 /nfs/dbraw/zinc/32/47/64/592324764.db2.gz NTFMMDQSUSSOKM-IRXDYDNUSA-N 2 1 335.492 1.750 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ncc[nH]2)C1 ZINC000901297734 592328713 /nfs/dbraw/zinc/32/87/13/592328713.db2.gz BLDJJAKMKLQYCF-ZIAGYGMSSA-N 2 1 334.420 1.348 20 0 EDADMP Cc1noc(C[C@@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903824431 592334521 /nfs/dbraw/zinc/33/45/21/592334521.db2.gz QPFRNYWWIFRFNQ-HOTGVXAUSA-N 2 1 334.464 1.791 20 0 EDADMP COc1ccccc1N1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000903830250 592336170 /nfs/dbraw/zinc/33/61/70/592336170.db2.gz XHWFFEXBEQUUKE-INIZCTEOSA-N 2 1 331.460 1.728 20 0 EDADMP CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903889380 592350890 /nfs/dbraw/zinc/35/08/90/592350890.db2.gz RKBLRRFQWSFWTD-HOTGVXAUSA-N 2 1 348.495 1.331 20 0 EDADMP CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903889380 592350892 /nfs/dbraw/zinc/35/08/92/592350892.db2.gz RKBLRRFQWSFWTD-HOTGVXAUSA-N 2 1 348.495 1.331 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000908158952 592354075 /nfs/dbraw/zinc/35/40/75/592354075.db2.gz CKUGCICZYZXVJS-UHFFFAOYSA-N 2 1 347.507 1.607 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000906830542 592358286 /nfs/dbraw/zinc/35/82/86/592358286.db2.gz UNOBBKAUZBKANH-IBGZPJMESA-N 2 1 344.503 1.213 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000906830542 592358292 /nfs/dbraw/zinc/35/82/92/592358292.db2.gz UNOBBKAUZBKANH-IBGZPJMESA-N 2 1 344.503 1.213 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000906830542 592358297 /nfs/dbraw/zinc/35/82/97/592358297.db2.gz UNOBBKAUZBKANH-IBGZPJMESA-N 2 1 344.503 1.213 20 0 EDADMP CCCCNC(=O)C1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903882731 592361545 /nfs/dbraw/zinc/36/15/45/592361545.db2.gz AWXYEOLGAMHVEC-INIZCTEOSA-N 2 1 348.495 1.331 20 0 EDADMP Cc1noc([C@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903885365 592364112 /nfs/dbraw/zinc/36/41/12/592364112.db2.gz GAFPNKUFPXHBPC-KBPBESRZSA-N 2 1 331.424 1.274 20 0 EDADMP Cc1noc([C@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903885365 592364119 /nfs/dbraw/zinc/36/41/19/592364119.db2.gz GAFPNKUFPXHBPC-KBPBESRZSA-N 2 1 331.424 1.274 20 0 EDADMP CC(=O)N(C[C@@H]1CCC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903915449 592370378 /nfs/dbraw/zinc/37/03/78/592370378.db2.gz YSDFXFYRMRJLSP-LPHOPBHVSA-N 2 1 347.507 1.321 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000903915139 592371333 /nfs/dbraw/zinc/37/13/33/592371333.db2.gz NHQPFVSUEYWSFW-AWEZNQCLSA-N 2 1 337.493 1.301 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000903915139 592371337 /nfs/dbraw/zinc/37/13/37/592371337.db2.gz NHQPFVSUEYWSFW-AWEZNQCLSA-N 2 1 337.493 1.301 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCc3ccc(O)cc3CC2)cnn1C ZINC000903904378 592372761 /nfs/dbraw/zinc/37/27/61/592372761.db2.gz TVFCWNOYDOHYDI-HNNXBMFYSA-N 2 1 328.460 1.652 20 0 EDADMP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1(O)CCCC1 ZINC000905023306 592384058 /nfs/dbraw/zinc/38/40/58/592384058.db2.gz GZCPYHLYAIWMRU-GOSISDBHSA-N 2 1 334.460 1.274 20 0 EDADMP CCn1cc(C[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C(C)C)cn1 ZINC000903933179 592384878 /nfs/dbraw/zinc/38/48/78/592384878.db2.gz ZUEWXVBNHHIONS-INIZCTEOSA-N 2 1 332.496 1.973 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCN(C(=O)CC(C)C)CC2)cnn1C ZINC000903937759 592387700 /nfs/dbraw/zinc/38/77/00/592387700.db2.gz QVGCJSSMIGFMAS-QGZVFWFLSA-N 2 1 349.523 1.426 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)cnn1C ZINC000903937759 592387705 /nfs/dbraw/zinc/38/77/05/592387705.db2.gz QVGCJSSMIGFMAS-QGZVFWFLSA-N 2 1 349.523 1.426 20 0 EDADMP CO[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903940110 592391762 /nfs/dbraw/zinc/39/17/62/592391762.db2.gz XIHJUOJDGNGTRZ-TZMCWYRMSA-N 2 1 334.386 1.499 20 0 EDADMP CO[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903940110 592391769 /nfs/dbraw/zinc/39/17/69/592391769.db2.gz XIHJUOJDGNGTRZ-TZMCWYRMSA-N 2 1 334.386 1.499 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000905059391 592397039 /nfs/dbraw/zinc/39/70/39/592397039.db2.gz GKWYDCZJCDEIDQ-QGZVFWFLSA-N 2 1 347.459 1.608 20 0 EDADMP C[N@H+]1CC[C@@H](Cc2nc(-c3ccc(N4CC[NH+](C)CC4)cn3)no2)C1 ZINC000904105084 592426608 /nfs/dbraw/zinc/42/66/08/592426608.db2.gz HNQMSHHMGJZWTF-AWEZNQCLSA-N 2 1 342.447 1.378 20 0 EDADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000904302439 592472188 /nfs/dbraw/zinc/47/21/88/592472188.db2.gz WILVLBOESBRMTH-MSOLQXFVSA-N 3 1 330.476 1.226 20 0 EDADMP C[NH+](C)[C@H](CNS(=O)(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000905332025 592508543 /nfs/dbraw/zinc/50/85/43/592508543.db2.gz SCAJCMXUFPPFPW-MRXNPFEDSA-N 2 1 325.478 1.208 20 0 EDADMP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CCC([NH+]3CCOCC3)CC1)C2 ZINC000908537622 592528799 /nfs/dbraw/zinc/52/87/99/592528799.db2.gz ZKOKXTGBSKIWLJ-QLOJAFMTSA-N 2 1 349.519 1.822 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1)C1CC1 ZINC000905472482 592544931 /nfs/dbraw/zinc/54/49/31/592544931.db2.gz FXHODJYBQWWLQP-DLBZAZTESA-N 2 1 326.481 1.397 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1)C1CC1 ZINC000905472482 592544932 /nfs/dbraw/zinc/54/49/32/592544932.db2.gz FXHODJYBQWWLQP-DLBZAZTESA-N 2 1 326.481 1.397 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)COc1ccccc1)C2 ZINC000905503255 592546024 /nfs/dbraw/zinc/54/60/24/592546024.db2.gz OIEYWDMWKJCBBN-FAJAVTLNSA-N 2 1 348.487 1.496 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000905601111 592575073 /nfs/dbraw/zinc/57/50/73/592575073.db2.gz CYFVAJAOWSVFQK-NVXWUHKLSA-N 2 1 347.532 1.951 20 0 EDADMP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)CC2)CC1 ZINC000907384682 592620700 /nfs/dbraw/zinc/62/07/00/592620700.db2.gz LTUNPEXQURXUJJ-IXDOHACOSA-N 2 1 336.524 1.534 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000909874538 592704464 /nfs/dbraw/zinc/70/44/64/592704464.db2.gz GUPUMGHCHDPJRX-OAHLLOKOSA-N 2 1 344.415 1.226 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000909874538 592704466 /nfs/dbraw/zinc/70/44/66/592704466.db2.gz GUPUMGHCHDPJRX-OAHLLOKOSA-N 2 1 344.415 1.226 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000906645392 592865881 /nfs/dbraw/zinc/86/58/81/592865881.db2.gz LUMJIRUWZGDJBK-HOTGVXAUSA-N 2 1 344.459 1.562 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000910864364 592898027 /nfs/dbraw/zinc/89/80/27/592898027.db2.gz KSVHAMCKHGQKRE-UHFFFAOYSA-N 2 1 339.524 1.660 20 0 EDADMP O=C(N[C@H]1CCn2cncc2C1)C1CCC(N2CCOCC2)CC1 ZINC000911572037 592951687 /nfs/dbraw/zinc/95/16/87/592951687.db2.gz REIFTTUHJVIUFV-PCKAHOCUSA-N 2 1 332.448 1.205 20 0 EDADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911651707 592977276 /nfs/dbraw/zinc/97/72/76/592977276.db2.gz DKCSNMWRZFZOTK-SKDRFNHKSA-N 2 1 328.210 1.017 20 0 EDADMP CC1(C)[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C[C@H]1[NH+]1CCOCC1 ZINC000911847376 593025666 /nfs/dbraw/zinc/02/56/66/593025666.db2.gz UXJXLTRGUGCHGU-YYIAUSFCSA-N 2 1 335.492 1.619 20 0 EDADMP CC1(C)[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C[C@H]1[NH+]1CCOCC1 ZINC000911847376 593025667 /nfs/dbraw/zinc/02/56/67/593025667.db2.gz UXJXLTRGUGCHGU-YYIAUSFCSA-N 2 1 335.492 1.619 20 0 EDADMP CCc1nc(C)c(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)n1 ZINC000912302402 593084321 /nfs/dbraw/zinc/08/43/21/593084321.db2.gz CBEVPISURDSSQR-AWEZNQCLSA-N 2 1 349.523 1.587 20 0 EDADMP CCc1nc(C)c(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)n1 ZINC000912302402 593084322 /nfs/dbraw/zinc/08/43/22/593084322.db2.gz CBEVPISURDSSQR-AWEZNQCLSA-N 2 1 349.523 1.587 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnc(NC2CC2)s1 ZINC000912302529 593084414 /nfs/dbraw/zinc/08/44/14/593084414.db2.gz DMEWEADHQSIUII-LBPRGKRZSA-N 2 1 339.509 1.719 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnc(NC2CC2)s1 ZINC000912302529 593084415 /nfs/dbraw/zinc/08/44/15/593084415.db2.gz DMEWEADHQSIUII-LBPRGKRZSA-N 2 1 339.509 1.719 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C1)C2=O ZINC000840116925 593200244 /nfs/dbraw/zinc/20/02/44/593200244.db2.gz RPCQJOXPFPJFSV-LLDVTBCESA-N 2 1 344.459 1.104 20 0 EDADMP O=C1[C@H](C2CC2)[C@H](C2CC2)N1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000839964204 593246635 /nfs/dbraw/zinc/24/66/35/593246635.db2.gz PBQAAKCXVXWZGR-MOPGFXCFSA-N 2 1 347.503 1.635 20 0 EDADMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)N[C@](C)(C2CCCC2)C1=O ZINC000802729138 593272891 /nfs/dbraw/zinc/27/28/91/593272891.db2.gz JOPANSCQNQRQOA-GOSISDBHSA-N 2 1 336.480 1.718 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)N[C@](C)(C2CCCC2)C1=O ZINC000802729138 593272894 /nfs/dbraw/zinc/27/28/94/593272894.db2.gz JOPANSCQNQRQOA-GOSISDBHSA-N 2 1 336.480 1.718 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)s1 ZINC000809544701 593344303 /nfs/dbraw/zinc/34/43/03/593344303.db2.gz SAJCXBIPDNBGGX-OAHLLOKOSA-N 2 1 338.521 1.891 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)s1 ZINC000809544701 593344305 /nfs/dbraw/zinc/34/43/05/593344305.db2.gz SAJCXBIPDNBGGX-OAHLLOKOSA-N 2 1 338.521 1.891 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000809644514 593352381 /nfs/dbraw/zinc/35/23/81/593352381.db2.gz RKTKIXUMKBCSCZ-CYBMUJFWSA-N 2 1 340.493 1.304 20 0 EDADMP C[C@@H]1C[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C[C@H]1C ZINC000840017478 593370912 /nfs/dbraw/zinc/37/09/12/593370912.db2.gz ZEDWDFFQPAHLGG-AHCXZYCDSA-N 2 1 341.455 1.649 20 0 EDADMP CC1=CCN(CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)CC1 ZINC000840038367 593403712 /nfs/dbraw/zinc/40/37/12/593403712.db2.gz UASYZWODGONMJJ-HDICACEKSA-N 2 1 339.439 1.713 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH+](C)C ZINC000810755593 593427524 /nfs/dbraw/zinc/42/75/24/593427524.db2.gz XNUGKNKKDOFHGH-IOASZLSFSA-N 2 1 331.501 1.703 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=S)NCCC[NH+]1CCOCC1 ZINC000811721261 593476970 /nfs/dbraw/zinc/47/69/70/593476970.db2.gz VQYOMVDEQIQQKW-OAHLLOKOSA-N 2 1 330.542 1.293 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=S)NCCC[NH+]1CCOCC1 ZINC000811721261 593476971 /nfs/dbraw/zinc/47/69/71/593476971.db2.gz VQYOMVDEQIQQKW-OAHLLOKOSA-N 2 1 330.542 1.293 20 0 EDADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000813322894 593525914 /nfs/dbraw/zinc/52/59/14/593525914.db2.gz INVDEWABVBBSRY-CRAIPNDOSA-N 2 1 331.460 1.666 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000817778668 593631252 /nfs/dbraw/zinc/63/12/52/593631252.db2.gz TZNSRUHHKCZYEC-DLBZAZTESA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815615966 593644482 /nfs/dbraw/zinc/64/44/82/593644482.db2.gz CDDZLUBRERGHAB-KDOFPFPSSA-N 2 1 333.432 1.751 20 0 EDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815615966 593644484 /nfs/dbraw/zinc/64/44/84/593644484.db2.gz CDDZLUBRERGHAB-KDOFPFPSSA-N 2 1 333.432 1.751 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH2+]Cc1cccnc1-n1cc[nH+]c1C ZINC000818970345 593731088 /nfs/dbraw/zinc/73/10/88/593731088.db2.gz NKNACMRNILHVOD-XJKSGUPXSA-N 2 1 334.420 1.078 20 0 EDADMP COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000818968512 593731198 /nfs/dbraw/zinc/73/11/98/593731198.db2.gz CRAXJUPUEJKVDP-CZUORRHYSA-N 2 1 334.420 1.078 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000824691454 594057253 /nfs/dbraw/zinc/05/72/53/594057253.db2.gz DGKNZHLXBCRHTR-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP c1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000826514580 594513347 /nfs/dbraw/zinc/51/33/47/594513347.db2.gz WBQJRSMOQDTGBH-GJZGRUSLSA-N 2 1 328.420 1.462 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C[C@@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000826907507 594599585 /nfs/dbraw/zinc/59/95/85/594599585.db2.gz QEYDQDLHZLKELN-RTBURBONSA-N 2 1 344.503 1.609 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C[C@@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000826907507 594599587 /nfs/dbraw/zinc/59/95/87/594599587.db2.gz QEYDQDLHZLKELN-RTBURBONSA-N 2 1 344.503 1.609 20 0 EDADMP CN1CC[C@@H]2C[N@@H+](CCCCCC[NH+]3C[C@@H]4CCN(C)[C@@H]4C3)C[C@@H]21 ZINC000831728162 594696958 /nfs/dbraw/zinc/69/69/58/594696958.db2.gz DFPYWRAABUATFF-JVSBHGNQSA-N 2 1 334.552 1.819 20 0 EDADMP CN1CC[C@@H]2C[NH+](CCCCCC[N@@H+]3C[C@@H]4CCN(C)[C@@H]4C3)C[C@@H]21 ZINC000831728162 594696959 /nfs/dbraw/zinc/69/69/59/594696959.db2.gz DFPYWRAABUATFF-JVSBHGNQSA-N 2 1 334.552 1.819 20 0 EDADMP CN1CC[C@@H]2C[NH+](CCCCCC[N@H+]3C[C@@H]4CCN(C)[C@@H]4C3)C[C@@H]21 ZINC000831728162 594696960 /nfs/dbraw/zinc/69/69/60/594696960.db2.gz DFPYWRAABUATFF-JVSBHGNQSA-N 2 1 334.552 1.819 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841305419 594883283 /nfs/dbraw/zinc/88/32/83/594883283.db2.gz BXURXVFUELFWFI-IRXDYDNUSA-N 2 1 330.432 1.317 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cn1 ZINC000841721238 594943177 /nfs/dbraw/zinc/94/31/77/594943177.db2.gz DVYQHIBTSMCSJM-XJKSGUPXSA-N 2 1 342.447 1.987 20 0 EDADMP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841790278 594953438 /nfs/dbraw/zinc/95/34/38/594953438.db2.gz BNCFFYQQAKNNBS-DLBZAZTESA-N 2 1 332.448 1.020 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000841897543 594976382 /nfs/dbraw/zinc/97/63/82/594976382.db2.gz ZRRRJFXCUBQCME-HKUYNNGSSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH2+]C[C@@H](C)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000843207109 595034966 /nfs/dbraw/zinc/03/49/66/595034966.db2.gz LDHIRWNTHAEELJ-CYBMUJFWSA-N 2 1 330.436 1.596 20 0 EDADMP Cc1ccc2c(CN(C)CC(=O)N3CCNCC3)cc(=O)oc2c1C ZINC000843346771 595081897 /nfs/dbraw/zinc/08/18/97/595081897.db2.gz ODIADWQNIZDKNS-UHFFFAOYSA-N 2 1 343.427 1.273 20 0 EDADMP CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000843348129 595082103 /nfs/dbraw/zinc/08/21/03/595082103.db2.gz YDOZXCWWLMOSQY-ZDUSSCGKSA-N 2 1 329.400 1.922 20 0 EDADMP CC(=O)Nc1ccc2c(C[N@H+]3CCC[C@@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000843348129 595082108 /nfs/dbraw/zinc/08/21/08/595082108.db2.gz YDOZXCWWLMOSQY-ZDUSSCGKSA-N 2 1 329.400 1.922 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843353852 595084223 /nfs/dbraw/zinc/08/42/23/595084223.db2.gz NDMAUHCBYVKYPP-UHFFFAOYSA-N 2 1 349.475 1.864 20 0 EDADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355526 595085331 /nfs/dbraw/zinc/08/53/31/595085331.db2.gz TYRMNWKFQCXEKX-NRXISQOPSA-N 2 1 325.453 1.132 20 0 EDADMP CN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843485207 595126145 /nfs/dbraw/zinc/12/61/45/595126145.db2.gz JCTIHEKJAMKMCN-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCCCC[NH3+])CC2)CC1 ZINC000846221492 595177279 /nfs/dbraw/zinc/17/72/79/595177279.db2.gz LICZKPIDPVOSPH-UHFFFAOYSA-N 3 1 338.540 1.772 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000843073981 595281380 /nfs/dbraw/zinc/28/13/80/595281380.db2.gz WKWAXTPVDCCHGB-RHSMWYFYSA-N 2 1 328.403 1.825 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000846674824 595298759 /nfs/dbraw/zinc/29/87/59/595298759.db2.gz VIMOLASTDUFNFQ-KXBFYZLASA-N 2 1 344.459 1.003 20 0 EDADMP CC[N@@H+](CCCNC(=O)CO[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000846687080 595301696 /nfs/dbraw/zinc/30/16/96/595301696.db2.gz BSUGYFLADKGJCO-KRWDZBQOSA-N 2 1 325.497 1.916 20 0 EDADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000844220394 595305493 /nfs/dbraw/zinc/30/54/93/595305493.db2.gz VSAPZTNCYBBTAH-YJBOKZPZSA-N 2 1 346.475 1.521 20 0 EDADMP CO[C@H](C)C[N@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844709644 595380488 /nfs/dbraw/zinc/38/04/88/595380488.db2.gz SSNMZKBSCCURKR-NEWSRXKRSA-N 2 1 345.487 1.891 20 0 EDADMP CO[C@H](C)C[N@@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844709644 595380491 /nfs/dbraw/zinc/38/04/91/595380491.db2.gz SSNMZKBSCCURKR-NEWSRXKRSA-N 2 1 345.487 1.891 20 0 EDADMP CO[C@H](C)C[NH+](C)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844709644 595380493 /nfs/dbraw/zinc/38/04/93/595380493.db2.gz SSNMZKBSCCURKR-NEWSRXKRSA-N 2 1 345.487 1.891 20 0 EDADMP CO[C@H](C)C[NH+](C)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844709644 595380497 /nfs/dbraw/zinc/38/04/97/595380497.db2.gz SSNMZKBSCCURKR-NEWSRXKRSA-N 2 1 345.487 1.891 20 0 EDADMP COc1ccccc1[C@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848524815 595402566 /nfs/dbraw/zinc/40/25/66/595402566.db2.gz XLYWMGIKVFSMCZ-FUHWJXTLSA-N 2 1 334.460 1.962 20 0 EDADMP Cn1c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cnc1Cl ZINC000848547905 595404768 /nfs/dbraw/zinc/40/47/68/595404768.db2.gz SGKCKQZNHXBSFB-MRXNPFEDSA-N 2 1 334.851 1.930 20 0 EDADMP COc1ccc(OC)c(NC(=[NH2+])NCCC[N@H+](C)CCN(C)C)c1 ZINC000849079227 595479118 /nfs/dbraw/zinc/47/91/18/595479118.db2.gz AGERJSNMXPKZPN-UHFFFAOYSA-N 2 1 337.468 1.524 20 0 EDADMP COc1ccc(OC)c(NC(=[NH2+])NCCC[N@@H+](C)CCN(C)C)c1 ZINC000849079227 595479120 /nfs/dbraw/zinc/47/91/20/595479120.db2.gz AGERJSNMXPKZPN-UHFFFAOYSA-N 2 1 337.468 1.524 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCC2(CCCCC2)O1 ZINC000849093049 595480326 /nfs/dbraw/zinc/48/03/26/595480326.db2.gz OYOQQCKRZWFXBQ-MRXNPFEDSA-N 2 1 338.496 1.705 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849523870 595558213 /nfs/dbraw/zinc/55/82/13/595558213.db2.gz XSQZKGKGPZGSED-IRXDYDNUSA-N 2 1 335.496 1.256 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+](C)CC2(C)C)cn1 ZINC000849574112 595576613 /nfs/dbraw/zinc/57/66/13/595576613.db2.gz WHJJZTFTBFBNDC-HOTGVXAUSA-N 2 1 333.480 1.008 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[N@H+](C)CC2(C)C)cn1 ZINC000849574112 595576618 /nfs/dbraw/zinc/57/66/18/595576618.db2.gz WHJJZTFTBFBNDC-HOTGVXAUSA-N 2 1 333.480 1.008 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[N@@H+](C)CC2(C)C)cn1 ZINC000849574112 595576622 /nfs/dbraw/zinc/57/66/22/595576622.db2.gz WHJJZTFTBFBNDC-HOTGVXAUSA-N 2 1 333.480 1.008 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849582070 595581285 /nfs/dbraw/zinc/58/12/85/595581285.db2.gz KOIMCJVTTYGMQX-IRXDYDNUSA-N 2 1 335.496 1.256 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NC2(C[NH+](C)C)CCC2)cn1 ZINC000849585909 595582532 /nfs/dbraw/zinc/58/25/32/595582532.db2.gz MZNSOLXZRWOPLJ-CVEARBPZSA-N 2 1 333.480 1.056 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000852888019 595599564 /nfs/dbraw/zinc/59/95/64/595599564.db2.gz GYLHJKKHAKZHEP-DJIMGWMZSA-N 2 1 344.459 1.507 20 0 EDADMP CC[C@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000852890678 595601450 /nfs/dbraw/zinc/60/14/50/595601450.db2.gz UYFOYLFUOVAOSO-HOTGVXAUSA-N 2 1 330.432 1.213 20 0 EDADMP CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000851956706 595985928 /nfs/dbraw/zinc/98/59/28/595985928.db2.gz ZVYXHIMMNJFGMB-HOCLYGCPSA-N 2 1 329.485 1.534 20 0 EDADMP c1ncn2c1C[NH+](CCCCCC[N@H+]1CCn3cncc3C1)CC2 ZINC000852064634 596029136 /nfs/dbraw/zinc/02/91/36/596029136.db2.gz CJZWVPQIALZFAK-UHFFFAOYSA-N 2 1 328.464 1.971 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000852064201 596030498 /nfs/dbraw/zinc/03/04/98/596030498.db2.gz VOSUJPDWRMZMSV-ULQDDVLXSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000861590631 596039404 /nfs/dbraw/zinc/03/94/04/596039404.db2.gz APIAJSKSFPEGFT-HOTGVXAUSA-N 2 1 333.480 1.186 20 0 EDADMP CCc1noc(C[C@@]2(O)CCC[N@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000856679420 596048438 /nfs/dbraw/zinc/04/84/38/596048438.db2.gz NYRMEESZNVGWED-KRWDZBQOSA-N 2 1 333.436 1.368 20 0 EDADMP CCc1noc(C[C@@]2(O)CCC[N@@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000856679420 596048441 /nfs/dbraw/zinc/04/84/41/596048441.db2.gz NYRMEESZNVGWED-KRWDZBQOSA-N 2 1 333.436 1.368 20 0 EDADMP O=C(CC[NH+]1CCc2ccccc2C1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861717215 596078219 /nfs/dbraw/zinc/07/82/19/596078219.db2.gz YQWNNHDDXALRNZ-MOPGFXCFSA-N 2 1 343.471 1.102 20 0 EDADMP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000861717215 596078223 /nfs/dbraw/zinc/07/82/23/596078223.db2.gz YQWNNHDDXALRNZ-MOPGFXCFSA-N 2 1 343.471 1.102 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000861717215 596078225 /nfs/dbraw/zinc/07/82/25/596078225.db2.gz YQWNNHDDXALRNZ-MOPGFXCFSA-N 2 1 343.471 1.102 20 0 EDADMP Cn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(Cl)n1 ZINC000856793976 596083553 /nfs/dbraw/zinc/08/35/53/596083553.db2.gz NGDQASATLHNHAN-MRXNPFEDSA-N 2 1 334.851 1.930 20 0 EDADMP Cn1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(Cl)n1 ZINC000856793976 596083559 /nfs/dbraw/zinc/08/35/59/596083559.db2.gz NGDQASATLHNHAN-MRXNPFEDSA-N 2 1 334.851 1.930 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NCC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC000120077914 596243609 /nfs/dbraw/zinc/24/36/09/596243609.db2.gz YJKTYEVMKPEPSR-CALCHBBNSA-N 2 1 342.528 1.856 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)[C@H](C)C1 ZINC000866570474 596254272 /nfs/dbraw/zinc/25/42/72/596254272.db2.gz MEFDQDIYPUPSCH-HUUCEWRRSA-N 2 1 349.541 1.028 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(S(=O)(=O)NC)cc2)[C@H](C)C1 ZINC000866577561 596256628 /nfs/dbraw/zinc/25/66/28/596256628.db2.gz LNCLYDMAELPDTL-PBHICJAKSA-N 2 1 339.505 1.457 20 0 EDADMP COC(=O)/C=C/c1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000866665856 596285478 /nfs/dbraw/zinc/28/54/78/596285478.db2.gz JCCMDVYUCXQFEW-KOEAPFFJSA-N 2 1 330.428 1.935 20 0 EDADMP COC(=O)/C=C/c1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000866665856 596285482 /nfs/dbraw/zinc/28/54/82/596285482.db2.gz JCCMDVYUCXQFEW-KOEAPFFJSA-N 2 1 330.428 1.935 20 0 EDADMP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705732 596300897 /nfs/dbraw/zinc/30/08/97/596300897.db2.gz ICWPHGZTNLYZIL-GOSISDBHSA-N 2 1 327.513 1.862 20 0 EDADMP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705732 596300901 /nfs/dbraw/zinc/30/09/01/596300901.db2.gz ICWPHGZTNLYZIL-GOSISDBHSA-N 2 1 327.513 1.862 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000870865174 596381802 /nfs/dbraw/zinc/38/18/02/596381802.db2.gz HGICZSYMXCYICH-BZSNNMDCSA-N 2 1 344.503 1.831 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C1CC[NH2+]CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000870986700 596430669 /nfs/dbraw/zinc/43/06/69/596430669.db2.gz SXKYRZRHODUDHA-ANQUJSFKSA-N 2 1 325.497 1.625 20 0 EDADMP C/C=C/C[C@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000863341055 596556488 /nfs/dbraw/zinc/55/64/88/596556488.db2.gz TZTUMIKWBXBTAF-BWPKMQGJSA-N 2 1 334.464 1.638 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000863546718 596613984 /nfs/dbraw/zinc/61/39/84/596613984.db2.gz FFHFBQXTAPKZOV-JKSUJKDBSA-N 2 1 332.404 1.309 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)C1 ZINC000863650859 596644782 /nfs/dbraw/zinc/64/47/82/596644782.db2.gz DFWRMDAGWRCGTF-DSLXNQLJSA-N 2 1 327.472 1.919 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868228752 596735991 /nfs/dbraw/zinc/73/59/91/596735991.db2.gz KCWNGDSOMLHIHK-RRQGHBQHSA-N 2 1 344.459 1.286 20 0 EDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)C1 ZINC000872144689 596810093 /nfs/dbraw/zinc/81/00/93/596810093.db2.gz ILKRBAYQUHZMRZ-XHSDSOJGSA-N 2 1 336.480 1.022 20 0 EDADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000872144692 596810282 /nfs/dbraw/zinc/81/02/82/596810282.db2.gz DQFMGUAJLAHAMN-CVEARBPZSA-N 2 1 347.507 1.814 20 0 EDADMP CC(C)(C)S(=O)(=O)CCC[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000872145243 596810426 /nfs/dbraw/zinc/81/04/26/596810426.db2.gz QFIVTBMGPINDKG-HZPDHXFCSA-N 2 1 346.537 1.808 20 0 EDADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157232 596815684 /nfs/dbraw/zinc/81/56/84/596815684.db2.gz NTYJHFPQLJQQKW-GDBMZVCRSA-N 2 1 331.526 1.545 20 0 EDADMP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)C1 ZINC000866267919 596842888 /nfs/dbraw/zinc/84/28/88/596842888.db2.gz ISGLLNZCZKHXRF-OTWHNJEPSA-N 2 1 337.508 1.330 20 0 EDADMP CC(C)(C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872254695 596855416 /nfs/dbraw/zinc/85/54/16/596855416.db2.gz BSNYAMIYHPYZSK-BBWFWOEESA-N 2 1 329.444 1.831 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872256919 596857334 /nfs/dbraw/zinc/85/73/34/596857334.db2.gz FTSLBJUCWRWENZ-OAGGEKHMSA-N 2 1 333.436 1.139 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872256919 596857336 /nfs/dbraw/zinc/85/73/36/596857336.db2.gz FTSLBJUCWRWENZ-OAGGEKHMSA-N 2 1 333.436 1.139 20 0 EDADMP CC(C)(O)C[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000866413029 596880444 /nfs/dbraw/zinc/88/04/44/596880444.db2.gz FDLYWGBSVNTXBL-SFHVURJKSA-N 2 1 332.492 1.481 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000866413029 596880445 /nfs/dbraw/zinc/88/04/45/596880445.db2.gz FDLYWGBSVNTXBL-SFHVURJKSA-N 2 1 332.492 1.481 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000875706121 596953825 /nfs/dbraw/zinc/95/38/25/596953825.db2.gz AFMBSXQJUQZRTD-HRCADAONSA-N 2 1 338.496 1.148 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000875706121 596953826 /nfs/dbraw/zinc/95/38/26/596953826.db2.gz AFMBSXQJUQZRTD-HRCADAONSA-N 2 1 338.496 1.148 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000875706121 596953828 /nfs/dbraw/zinc/95/38/28/596953828.db2.gz AFMBSXQJUQZRTD-HRCADAONSA-N 2 1 338.496 1.148 20 0 EDADMP CCNc1nc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)nc(NC(C)(C)C)[nH+]1 ZINC000872779367 597065283 /nfs/dbraw/zinc/06/52/83/597065283.db2.gz GFMAXQIDBPPSIS-QWHCGFSZSA-N 2 1 333.484 1.609 20 0 EDADMP CCNc1nc(N2CC[C@H]3[C@H]2CCC[N@H+]3C)nc(NC(C)(C)C)[nH+]1 ZINC000872779367 597065286 /nfs/dbraw/zinc/06/52/86/597065286.db2.gz GFMAXQIDBPPSIS-QWHCGFSZSA-N 2 1 333.484 1.609 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000873111471 597199795 /nfs/dbraw/zinc/19/97/95/597199795.db2.gz ANKOTDXJUNDOSW-CVEARBPZSA-N 2 1 330.432 1.087 20 0 EDADMP CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873203488 597226106 /nfs/dbraw/zinc/22/61/06/597226106.db2.gz FBONNDFIYJILEQ-OAHLLOKOSA-N 2 1 342.505 1.628 20 0 EDADMP COc1ccc([C@H](N[C@H]2CC[N@@H+](CC(C)(C)O)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000873235111 597234768 /nfs/dbraw/zinc/23/47/68/597234768.db2.gz JHOONSUBDXXTGS-WDSOQIARSA-N 2 1 347.503 1.923 20 0 EDADMP Cc1nonc1CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000876668371 597282258 /nfs/dbraw/zinc/28/22/58/597282258.db2.gz VQLTWTPAPBHXNQ-UHFFFAOYSA-N 2 1 343.431 1.378 20 0 EDADMP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[NH+](CCc3cccs3)CC2)C1(F)F ZINC000876726735 597308408 /nfs/dbraw/zinc/30/84/08/597308408.db2.gz PEZDWGYPDUIMEV-CHWSQXEVSA-N 2 1 329.416 1.275 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876747215 597319909 /nfs/dbraw/zinc/31/99/09/597319909.db2.gz YBYADRUJGXQIJT-VVLHAWIVSA-N 2 1 336.524 1.377 20 0 EDADMP Cn1ncc(C[NH3+])c1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000876772541 597333764 /nfs/dbraw/zinc/33/37/64/597333764.db2.gz DLAOENRWAVWGIR-MRXNPFEDSA-N 2 1 327.432 1.225 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876784441 597339726 /nfs/dbraw/zinc/33/97/26/597339726.db2.gz FYQAMMBKKMBDGL-WMZOPIPTSA-N 2 1 348.466 1.215 20 0 EDADMP Cn1ncc2cc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cnc21 ZINC000876811784 597348850 /nfs/dbraw/zinc/34/88/50/597348850.db2.gz NCKOBJVLJYOIAO-IXDOHACOSA-N 2 1 329.448 1.652 20 0 EDADMP Cn1ncc2cc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cnc21 ZINC000876811784 597348853 /nfs/dbraw/zinc/34/88/53/597348853.db2.gz NCKOBJVLJYOIAO-IXDOHACOSA-N 2 1 329.448 1.652 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000876933358 597389724 /nfs/dbraw/zinc/38/97/24/597389724.db2.gz NEPTXNZFYAKSJM-HNNXBMFYSA-N 2 1 339.505 1.936 20 0 EDADMP CC(C)(CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000877021526 597414190 /nfs/dbraw/zinc/41/41/90/597414190.db2.gz DDJMLFFIYJVXCO-GJZGRUSLSA-N 2 1 341.496 1.990 20 0 EDADMP CC(C)(CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000877021526 597414191 /nfs/dbraw/zinc/41/41/91/597414191.db2.gz DDJMLFFIYJVXCO-GJZGRUSLSA-N 2 1 341.496 1.990 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877132570 597439683 /nfs/dbraw/zinc/43/96/83/597439683.db2.gz HQBYSZDOQVJRND-NZSAHSFTSA-N 2 1 345.487 1.639 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000877229109 597469041 /nfs/dbraw/zinc/46/90/41/597469041.db2.gz HIJNSLOBSPAXHI-CGTJXYLNSA-N 2 1 331.460 1.310 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000877229109 597469043 /nfs/dbraw/zinc/46/90/43/597469043.db2.gz HIJNSLOBSPAXHI-CGTJXYLNSA-N 2 1 331.460 1.310 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000877228667 597469209 /nfs/dbraw/zinc/46/92/09/597469209.db2.gz CARTUONRKUFOCF-OTWHNJEPSA-N 2 1 345.487 1.700 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000877228667 597469210 /nfs/dbraw/zinc/46/92/10/597469210.db2.gz CARTUONRKUFOCF-OTWHNJEPSA-N 2 1 345.487 1.700 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000877231493 597470803 /nfs/dbraw/zinc/47/08/03/597470803.db2.gz MOGVCSWHOAIGIM-SFHVURJKSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000877231493 597470806 /nfs/dbraw/zinc/47/08/06/597470806.db2.gz MOGVCSWHOAIGIM-SFHVURJKSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000877231884 597471439 /nfs/dbraw/zinc/47/14/39/597471439.db2.gz VYUHAMDTWCMMAB-MJGOQNOKSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000877231884 597471441 /nfs/dbraw/zinc/47/14/41/597471441.db2.gz VYUHAMDTWCMMAB-MJGOQNOKSA-N 2 1 331.460 1.312 20 0 EDADMP CC[C@@H](O)C[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878284251 597592387 /nfs/dbraw/zinc/59/23/87/597592387.db2.gz DJYHAOMWTHBAJU-GOSISDBHSA-N 2 1 333.476 1.470 20 0 EDADMP CC[C@@H](O)C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878284251 597592388 /nfs/dbraw/zinc/59/23/88/597592388.db2.gz DJYHAOMWTHBAJU-GOSISDBHSA-N 2 1 333.476 1.470 20 0 EDADMP COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879569136 597635244 /nfs/dbraw/zinc/63/52/44/597635244.db2.gz KBOHLSGAQHEGFM-YQVWRLOYSA-N 2 1 334.460 1.599 20 0 EDADMP COc1cccc(COC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879569136 597635248 /nfs/dbraw/zinc/63/52/48/597635248.db2.gz KBOHLSGAQHEGFM-YQVWRLOYSA-N 2 1 334.460 1.599 20 0 EDADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000879569136 597635251 /nfs/dbraw/zinc/63/52/51/597635251.db2.gz KBOHLSGAQHEGFM-YQVWRLOYSA-N 2 1 334.460 1.599 20 0 EDADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000879569136 597635253 /nfs/dbraw/zinc/63/52/53/597635253.db2.gz KBOHLSGAQHEGFM-YQVWRLOYSA-N 2 1 334.460 1.599 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCc3nnnn3C)C2)s1 ZINC000878574883 597639871 /nfs/dbraw/zinc/63/98/71/597639871.db2.gz XXLAFUZNTNTOIC-AWEZNQCLSA-N 2 1 334.493 1.576 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCc3nnnn3C)C2)s1 ZINC000878574883 597639875 /nfs/dbraw/zinc/63/98/75/597639875.db2.gz XXLAFUZNTNTOIC-AWEZNQCLSA-N 2 1 334.493 1.576 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCc3nnnn3C)C2)s1 ZINC000878574883 597639878 /nfs/dbraw/zinc/63/98/78/597639878.db2.gz XXLAFUZNTNTOIC-AWEZNQCLSA-N 2 1 334.493 1.576 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCc3nnnn3C)C2)s1 ZINC000878574883 597639880 /nfs/dbraw/zinc/63/98/80/597639880.db2.gz XXLAFUZNTNTOIC-AWEZNQCLSA-N 2 1 334.493 1.576 20 0 EDADMP COC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@H]1CCCOC1 ZINC000883234464 597691229 /nfs/dbraw/zinc/69/12/29/597691229.db2.gz GMEWKYXIUFVRDI-UFYCRDLUSA-N 2 1 348.487 1.784 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883301846 597707553 /nfs/dbraw/zinc/70/75/53/597707553.db2.gz JVXABBLEIUMAQM-NVXWUHKLSA-N 2 1 340.512 1.659 20 0 EDADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)O1 ZINC000883424301 597741783 /nfs/dbraw/zinc/74/17/83/597741783.db2.gz NMYOSBCETJATCR-GVDBMIGSSA-N 2 1 337.508 1.914 20 0 EDADMP c1nnnn1CC[N@@H+]1C[C@@H]2CC[C@H]1[C@@H]1C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000878891788 597748373 /nfs/dbraw/zinc/74/83/73/597748373.db2.gz LDYRCHWMAWZIKF-MANSERQUSA-N 2 1 338.459 1.516 20 0 EDADMP c1nnnn1CC[N@H+]1C[C@@H]2CC[C@H]1[C@@H]1C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000878891788 597748375 /nfs/dbraw/zinc/74/83/75/597748375.db2.gz LDYRCHWMAWZIKF-MANSERQUSA-N 2 1 338.459 1.516 20 0 EDADMP c1nnnn1CC[NH+]1C[C@@H]2CC[C@H]1[C@@H]1C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000878891788 597748376 /nfs/dbraw/zinc/74/83/76/597748376.db2.gz LDYRCHWMAWZIKF-MANSERQUSA-N 2 1 338.459 1.516 20 0 EDADMP c1nnnn1CC[NH+]1C[C@@H]2CC[C@H]1[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000878891788 597748377 /nfs/dbraw/zinc/74/83/77/597748377.db2.gz LDYRCHWMAWZIKF-MANSERQUSA-N 2 1 338.459 1.516 20 0 EDADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000879947316 597779548 /nfs/dbraw/zinc/77/95/48/597779548.db2.gz DMBXGQRECFUDSU-MSOLQXFVSA-N 2 1 340.508 1.883 20 0 EDADMP COCC[N@@H+](CCc1ccc(C(N)=O)cc1)CC1CC[NH+](C)CC1 ZINC000879125688 597827760 /nfs/dbraw/zinc/82/77/60/597827760.db2.gz GHPWFEUZOUNPPP-UHFFFAOYSA-N 2 1 333.476 1.618 20 0 EDADMP COCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000884185861 598018218 /nfs/dbraw/zinc/01/82/18/598018218.db2.gz JULPTLXQASQXKM-QAPCUYQASA-N 2 1 333.476 1.899 20 0 EDADMP [NH3+]Cc1ocnc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000884369705 598083578 /nfs/dbraw/zinc/08/35/78/598083578.db2.gz MQYGTPJCJSMERY-LSDHHAIUSA-N 2 1 326.400 1.480 20 0 EDADMP [NH3+]Cc1ocnc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000884369705 598083580 /nfs/dbraw/zinc/08/35/80/598083580.db2.gz MQYGTPJCJSMERY-LSDHHAIUSA-N 2 1 326.400 1.480 20 0 EDADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000884412158 598097330 /nfs/dbraw/zinc/09/73/30/598097330.db2.gz KCEDYBGUZZEBCJ-DLBZAZTESA-N 2 1 338.540 1.623 20 0 EDADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000884412158 598097334 /nfs/dbraw/zinc/09/73/34/598097334.db2.gz KCEDYBGUZZEBCJ-DLBZAZTESA-N 2 1 338.540 1.623 20 0 EDADMP C[N@H+]1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CCC1(C)C ZINC000884464827 598113094 /nfs/dbraw/zinc/11/30/94/598113094.db2.gz DBEKWXDGZDPTBC-UHFFFAOYSA-N 2 1 331.464 1.048 20 0 EDADMP C[NH+](C)C1(CNC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000914112285 695116079 /nfs/dbraw/zinc/11/60/79/695116079.db2.gz GMCPFKISBARGNK-UHFFFAOYSA-N 2 1 345.491 1.202 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC4CC4)[C@H]3C2)no1 ZINC000992738135 695259867 /nfs/dbraw/zinc/25/98/67/695259867.db2.gz HUCSDKBXEQRNKV-BHYGNILZSA-N 2 1 346.475 1.977 20 0 EDADMP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC000992777051 695317863 /nfs/dbraw/zinc/31/78/63/695317863.db2.gz XHVHWTOBBNCRHY-OWCLPIDISA-N 2 1 330.476 1.999 20 0 EDADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000915119173 695746149 /nfs/dbraw/zinc/74/61/49/695746149.db2.gz MXBNTFPQJWPIDY-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP Cc1ccccc1CCC[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031263757 696075322 /nfs/dbraw/zinc/07/53/22/696075322.db2.gz YYYBCVUHRUXUKC-UHFFFAOYSA-N 2 1 327.472 1.824 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CCC2CCOCC2)[C@@H]1C ZINC000993622905 696288006 /nfs/dbraw/zinc/28/80/06/696288006.db2.gz PJRDZFCKQJJERW-AEFFLSMTSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCOCC2)[C@@H]1C ZINC000993622905 696288009 /nfs/dbraw/zinc/28/80/09/696288009.db2.gz PJRDZFCKQJJERW-AEFFLSMTSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993737035 696340171 /nfs/dbraw/zinc/34/01/71/696340171.db2.gz BGAIMKONGRRJLC-CRAIPNDOSA-N 2 1 347.507 1.539 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1CCn1cccn1 ZINC000993929363 696448382 /nfs/dbraw/zinc/44/83/82/696448382.db2.gz PKWMLAAXRJWBPW-AEFFLSMTSA-N 2 1 347.507 1.584 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCOc3ccc(F)cc3)C2)C1 ZINC001015705424 696593553 /nfs/dbraw/zinc/59/35/53/696593553.db2.gz LDPFCIMZHPNTNC-WBVHZDCISA-N 2 1 349.450 1.737 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1cncs1 ZINC000994251756 696645096 /nfs/dbraw/zinc/64/50/96/696645096.db2.gz LBYMVYBQIRUIRR-ZFWWWQNUSA-N 2 1 334.489 1.708 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1Cc1cncs1 ZINC000994251756 696645098 /nfs/dbraw/zinc/64/50/98/696645098.db2.gz LBYMVYBQIRUIRR-ZFWWWQNUSA-N 2 1 334.489 1.708 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000940008351 700109911 /nfs/dbraw/zinc/10/99/11/700109911.db2.gz KDHHAIMRJIPUQL-AWEZNQCLSA-N 2 1 347.463 1.512 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000940008351 700109912 /nfs/dbraw/zinc/10/99/12/700109912.db2.gz KDHHAIMRJIPUQL-AWEZNQCLSA-N 2 1 347.463 1.512 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1CCc1ccns1 ZINC000994403444 696825782 /nfs/dbraw/zinc/82/57/82/696825782.db2.gz CFLIGANBTNOPMA-HOCLYGCPSA-N 2 1 336.505 1.751 20 0 EDADMP Cc1nc(CN2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H]2C)c(C)o1 ZINC000994421533 696842885 /nfs/dbraw/zinc/84/28/85/696842885.db2.gz MHZWFYFUBBCYOE-LRDDRELGSA-N 2 1 345.447 1.966 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC001031585398 697281143 /nfs/dbraw/zinc/28/11/43/697281143.db2.gz WORAYWOYPNDJBR-SFHVURJKSA-N 2 1 343.471 1.306 20 0 EDADMP Cc1cccc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031594364 697293963 /nfs/dbraw/zinc/29/39/63/697293963.db2.gz CMPBVACBNPFRRX-GOSISDBHSA-N 2 1 331.460 1.182 20 0 EDADMP Cc1cccc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031594364 697293965 /nfs/dbraw/zinc/29/39/65/697293965.db2.gz CMPBVACBNPFRRX-GOSISDBHSA-N 2 1 331.460 1.182 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001031667016 697447877 /nfs/dbraw/zinc/44/78/77/697447877.db2.gz VNPSOLSQSQVJBH-GOSISDBHSA-N 2 1 337.508 1.724 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ncccc3C)C2)CC[N@@H+]1C ZINC001031683848 697514401 /nfs/dbraw/zinc/51/44/01/697514401.db2.gz AIMGVQISFQHOLS-FUHWJXTLSA-N 2 1 330.476 1.668 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ncccc3C)C2)CC[N@H+]1C ZINC001031683848 697514404 /nfs/dbraw/zinc/51/44/04/697514404.db2.gz AIMGVQISFQHOLS-FUHWJXTLSA-N 2 1 330.476 1.668 20 0 EDADMP O=C(NCC1C[NH+](CCCC2CCC2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688265 697519859 /nfs/dbraw/zinc/51/98/59/697519859.db2.gz BYJVCIRIFGQJOP-QZTJIDSGSA-N 2 1 335.492 1.478 20 0 EDADMP O=C(NCC1C[NH+](CCC2CCCC2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688912 697528357 /nfs/dbraw/zinc/52/83/57/697528357.db2.gz NJPBOFPHWREMOW-ROUUACIJSA-N 2 1 335.492 1.478 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000921340048 697561824 /nfs/dbraw/zinc/56/18/24/697561824.db2.gz TULSXPCHKWKBRL-CZUORRHYSA-N 2 1 346.479 1.454 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000921340048 697561825 /nfs/dbraw/zinc/56/18/25/697561825.db2.gz TULSXPCHKWKBRL-CZUORRHYSA-N 2 1 346.479 1.454 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCc2nc(CN(C)C)cs2)C[N@H+]1C1CC1 ZINC000921382664 697581382 /nfs/dbraw/zinc/58/13/82/697581382.db2.gz HMNHROUJQUZPJR-VXGBXAGGSA-N 2 1 337.493 1.629 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCO)CC1 ZINC000948575119 700162815 /nfs/dbraw/zinc/16/28/15/700162815.db2.gz PXMMIKLMZMVFRY-IAGOWNOFSA-N 2 1 325.497 1.412 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000948575119 700162819 /nfs/dbraw/zinc/16/28/19/700162819.db2.gz PXMMIKLMZMVFRY-IAGOWNOFSA-N 2 1 325.497 1.412 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000948575119 700162823 /nfs/dbraw/zinc/16/28/23/700162823.db2.gz PXMMIKLMZMVFRY-IAGOWNOFSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000921435229 697611392 /nfs/dbraw/zinc/61/13/92/697611392.db2.gz XARNFLNBHUZCQA-SYAUCNOPSA-N 2 1 338.521 1.348 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921435229 697611393 /nfs/dbraw/zinc/61/13/93/697611393.db2.gz XARNFLNBHUZCQA-SYAUCNOPSA-N 2 1 338.521 1.348 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921435229 697611395 /nfs/dbraw/zinc/61/13/95/697611395.db2.gz XARNFLNBHUZCQA-SYAUCNOPSA-N 2 1 338.521 1.348 20 0 EDADMP C[NH+](C)CC[C@H](NS(=O)(=O)CC1([NH+](C)C)CC1)c1cccnc1 ZINC000921479053 697630695 /nfs/dbraw/zinc/63/06/95/697630695.db2.gz AJFLXPZIRVKASG-HNNXBMFYSA-N 2 1 340.493 1.088 20 0 EDADMP CC[C@@H](C(=O)N1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1)[NH+](C)C ZINC000943263633 697983776 /nfs/dbraw/zinc/98/37/76/697983776.db2.gz OFDCJUOCQTWWIL-HOTGVXAUSA-N 2 1 349.479 1.029 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CCOC3CCC3)C2)C1 ZINC001031729601 698054935 /nfs/dbraw/zinc/05/49/35/698054935.db2.gz QOIQPVNVERUPAA-KRWDZBQOSA-N 2 1 337.508 1.581 20 0 EDADMP O=C(NCC1C[NH+](C/C=C\Cl)C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001031730550 698071642 /nfs/dbraw/zinc/07/16/42/698071642.db2.gz QPQJSLQFQLLERD-CPCLXONGSA-N 2 1 341.883 1.430 20 0 EDADMP O=C(NCC1C[NH+](C/C=C\Cl)C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001031730550 698071649 /nfs/dbraw/zinc/07/16/49/698071649.db2.gz QPQJSLQFQLLERD-CPCLXONGSA-N 2 1 341.883 1.430 20 0 EDADMP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1)C1CCC1 ZINC001031732188 698124975 /nfs/dbraw/zinc/12/49/75/698124975.db2.gz XCHNAFWSASPJFO-IRXDYDNUSA-N 2 1 346.475 1.624 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ocnc2C)C1 ZINC000995038547 700226939 /nfs/dbraw/zinc/22/69/39/700226939.db2.gz QHSGQQQJQUPZKI-LSDHHAIUSA-N 2 1 331.420 1.563 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nccn3C)CC2)CC[N@H+]1C ZINC000940123568 700256808 /nfs/dbraw/zinc/25/68/08/700256808.db2.gz MLQAFSBCRILDOJ-JKSUJKDBSA-N 2 1 347.507 1.621 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccnn3C)C[C@H]2C)CC1 ZINC000943756431 698831321 /nfs/dbraw/zinc/83/13/21/698831321.db2.gz PSVIMVTWEKUAPQ-SJLPKXTDSA-N 2 1 347.507 1.479 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766386 699061504 /nfs/dbraw/zinc/06/15/04/699061504.db2.gz HMOBJMXPCIQNKW-IAGOWNOFSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766386 699061508 /nfs/dbraw/zinc/06/15/08/699061508.db2.gz HMOBJMXPCIQNKW-IAGOWNOFSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1ccccc1OCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031771785 699093641 /nfs/dbraw/zinc/09/36/41/699093641.db2.gz IMQPRHITOXSEDF-GOSISDBHSA-N 2 1 345.487 1.906 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1nccn1C ZINC000939128054 699206226 /nfs/dbraw/zinc/20/62/26/699206226.db2.gz HCKPDAXAOXGQFZ-GJZGRUSLSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939137099 699224144 /nfs/dbraw/zinc/22/41/44/699224144.db2.gz FGYIMZWDASHAAE-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)o1 ZINC000939256987 699433946 /nfs/dbraw/zinc/43/39/46/699433946.db2.gz HSMOBOOWUNOOHF-YOEHRIQHSA-N 2 1 348.491 1.905 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)nc1 ZINC000939258498 699435862 /nfs/dbraw/zinc/43/58/62/699435862.db2.gz QRSSRYFFFLTNOW-NVXWUHKLSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nncs1 ZINC000939259123 699436929 /nfs/dbraw/zinc/43/69/29/699436929.db2.gz UFTIIQGRMRIBLH-TZMCWYRMSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000939312872 699487345 /nfs/dbraw/zinc/48/73/45/699487345.db2.gz FKMOPQRARIXAAW-MJGOQNOKSA-N 2 1 345.487 1.388 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncccn3)C2)CC1 ZINC000939453269 699599409 /nfs/dbraw/zinc/59/94/09/699599409.db2.gz HHDAGYQFQCGJRN-NVXWUHKLSA-N 2 1 345.491 1.534 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)c(C)o1 ZINC000939552286 699701962 /nfs/dbraw/zinc/70/19/62/699701962.db2.gz XEECVZYGKQBHSA-WBMJQRKESA-N 2 1 332.448 1.324 20 0 EDADMP COc1ccnc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)c1 ZINC000939749658 699896884 /nfs/dbraw/zinc/89/68/84/699896884.db2.gz WTPXWXREOJMCIX-GUYCJALGSA-N 2 1 343.431 1.232 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000939753909 699903697 /nfs/dbraw/zinc/90/36/97/699903697.db2.gz JLOPMLSPPVACTI-YVEFUNNKSA-N 2 1 343.431 1.694 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC000939754095 699904237 /nfs/dbraw/zinc/90/42/37/699904237.db2.gz KSIVPVRAAAMWDD-GJZGRUSLSA-N 2 1 348.495 1.065 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1noc2c1CCCC2 ZINC000939755141 699906070 /nfs/dbraw/zinc/90/60/70/699906070.db2.gz PPBVTIDKOJTIQU-WMLDXEAASA-N 2 1 346.475 1.586 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCn2cccn2)C1 ZINC001032119099 701628713 /nfs/dbraw/zinc/62/87/13/701628713.db2.gz FHRMCRUKXDXYKU-SFHVURJKSA-N 2 1 347.507 1.586 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000940179473 700313534 /nfs/dbraw/zinc/31/35/34/700313534.db2.gz VKNGKCHICSUFAR-AWEZNQCLSA-N 2 1 334.468 1.068 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940214826 700354977 /nfs/dbraw/zinc/35/49/77/700354977.db2.gz YQBMDOBLAGHCAT-UHFFFAOYSA-N 2 1 334.464 1.589 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000940328015 700505621 /nfs/dbraw/zinc/50/56/21/700505621.db2.gz CKZXFRJRFKEYIM-CZUORRHYSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000940328103 700505922 /nfs/dbraw/zinc/50/59/22/700505922.db2.gz FNEBXNKJYQLURO-YOEHRIQHSA-N 2 1 347.507 1.397 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940329251 700508373 /nfs/dbraw/zinc/50/83/73/700508373.db2.gz SJQDUBVHKHWRQM-HNNXBMFYSA-N 2 1 333.480 1.375 20 0 EDADMP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940426305 700620121 /nfs/dbraw/zinc/62/01/21/700620121.db2.gz OWAZVZMGGGKZQN-OAHLLOKOSA-N 2 1 348.495 1.111 20 0 EDADMP CCn1nnc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940462061 700665700 /nfs/dbraw/zinc/66/57/00/700665700.db2.gz YWGUFFPPVIPJAH-OAHLLOKOSA-N 2 1 348.495 1.029 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC[C@@H]2CCCO2)CC1(C)C ZINC000940894061 700963729 /nfs/dbraw/zinc/96/37/29/700963729.db2.gz WDLUWOFKLKSEFE-IRXDYDNUSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)CC1(C)C ZINC000940894061 700963730 /nfs/dbraw/zinc/96/37/30/700963730.db2.gz WDLUWOFKLKSEFE-IRXDYDNUSA-N 2 1 348.491 1.977 20 0 EDADMP Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)C2)n1 ZINC000941002754 701036643 /nfs/dbraw/zinc/03/66/43/701036643.db2.gz MLRVBAPFEZKBSB-QGZVFWFLSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)C2)n1 ZINC000941002754 701036645 /nfs/dbraw/zinc/03/66/45/701036645.db2.gz MLRVBAPFEZKBSB-QGZVFWFLSA-N 2 1 347.507 1.479 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940985700 701039931 /nfs/dbraw/zinc/03/99/31/701039931.db2.gz BLYPUCCWBQMJAY-NVXWUHKLSA-N 2 1 348.491 1.617 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940985700 701039933 /nfs/dbraw/zinc/03/99/33/701039933.db2.gz BLYPUCCWBQMJAY-NVXWUHKLSA-N 2 1 348.491 1.617 20 0 EDADMP Cc1ncc2n1C[C@H](C(=O)N[C@@H]1CCN(CCF)CC1(C)C)CC2 ZINC000940988077 701041934 /nfs/dbraw/zinc/04/19/34/701041934.db2.gz QWWDDGOPTSHWLF-GDBMZVCRSA-N 2 1 336.455 1.940 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029706 701070405 /nfs/dbraw/zinc/07/04/05/701070405.db2.gz ZIHNXBOKJXAJHI-JKSUJKDBSA-N 2 1 339.524 1.970 20 0 EDADMP CO[C@@H](C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029706 701070408 /nfs/dbraw/zinc/07/04/08/701070408.db2.gz ZIHNXBOKJXAJHI-JKSUJKDBSA-N 2 1 339.524 1.970 20 0 EDADMP CO[C@@H](C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029706 701070410 /nfs/dbraw/zinc/07/04/10/701070410.db2.gz ZIHNXBOKJXAJHI-JKSUJKDBSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccnn3C)CC2(C)C)C1 ZINC000941033984 701077704 /nfs/dbraw/zinc/07/77/04/701077704.db2.gz ZDVTXEWBSXZPTM-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccnn3C)CC2(C)C)C1 ZINC000941033984 701077706 /nfs/dbraw/zinc/07/77/06/701077706.db2.gz ZDVTXEWBSXZPTM-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccnn3C)CC2(C)C)C1 ZINC000941033984 701077708 /nfs/dbraw/zinc/07/77/08/701077708.db2.gz ZDVTXEWBSXZPTM-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001031922791 701091634 /nfs/dbraw/zinc/09/16/34/701091634.db2.gz JZIVMULROITSOG-LPHOPBHVSA-N 2 1 345.487 1.905 20 0 EDADMP CC1(C)C[N@@H+](Cc2cccnc2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166862 701377602 /nfs/dbraw/zinc/37/76/02/701377602.db2.gz JUELDUFBUUVEJJ-KRWDZBQOSA-N 2 1 342.487 1.894 20 0 EDADMP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)cn1 ZINC000941220559 701410952 /nfs/dbraw/zinc/41/09/52/701410952.db2.gz GHEJOADMHUBSIE-WBVHZDCISA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)cn1 ZINC000941220559 701410953 /nfs/dbraw/zinc/41/09/53/701410953.db2.gz GHEJOADMHUBSIE-WBVHZDCISA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941220559 701410954 /nfs/dbraw/zinc/41/09/54/701410954.db2.gz GHEJOADMHUBSIE-WBVHZDCISA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941220559 701410955 /nfs/dbraw/zinc/41/09/55/701410955.db2.gz GHEJOADMHUBSIE-WBVHZDCISA-N 2 1 345.491 1.453 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941443220 701535373 /nfs/dbraw/zinc/53/53/73/701535373.db2.gz LTCJSYAFNLAYTJ-SFHVURJKSA-N 2 1 348.535 1.489 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCOC1 ZINC001032658117 706607572 /nfs/dbraw/zinc/60/75/72/706607572.db2.gz OQWQYGHXRHWUEG-ULQDDVLXSA-N 2 1 346.475 1.718 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCOC1 ZINC001032658117 706607574 /nfs/dbraw/zinc/60/75/74/706607574.db2.gz OQWQYGHXRHWUEG-ULQDDVLXSA-N 2 1 346.475 1.718 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032658255 706629640 /nfs/dbraw/zinc/62/96/40/706629640.db2.gz RGPGLDKWUMDTPC-IRXDYDNUSA-N 2 1 346.475 1.718 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032658255 706629642 /nfs/dbraw/zinc/62/96/42/706629642.db2.gz RGPGLDKWUMDTPC-IRXDYDNUSA-N 2 1 346.475 1.718 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001031977129 702010873 /nfs/dbraw/zinc/01/08/73/702010873.db2.gz WZRDPTZGRJRUTI-YWZLYKJASA-N 2 1 341.499 1.921 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)co1 ZINC000995900755 702206989 /nfs/dbraw/zinc/20/69/89/702206989.db2.gz ZBFQWHYAQUKMEW-HOTGVXAUSA-N 2 1 334.464 1.650 20 0 EDADMP Cn1ncnc1C[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995919308 702238866 /nfs/dbraw/zinc/23/88/66/702238866.db2.gz YQBCPYVMHSXLEF-CABCVRRESA-N 2 1 348.495 1.016 20 0 EDADMP Cn1ncnc1C[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995919308 702238872 /nfs/dbraw/zinc/23/88/72/702238872.db2.gz YQBCPYVMHSXLEF-CABCVRRESA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000995921868 702244576 /nfs/dbraw/zinc/24/45/76/702244576.db2.gz ZDHAZHKPQJIYPF-CVEARBPZSA-N 2 1 349.479 1.659 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000995921868 702244579 /nfs/dbraw/zinc/24/45/79/702244579.db2.gz ZDHAZHKPQJIYPF-CVEARBPZSA-N 2 1 349.479 1.659 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCOc3cccc(F)c3)C2)C1 ZINC001032185866 702310039 /nfs/dbraw/zinc/31/00/39/702310039.db2.gz DKSVLIIXZJRHOS-OAHLLOKOSA-N 2 1 335.423 1.204 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995975797 702332232 /nfs/dbraw/zinc/33/22/32/702332232.db2.gz JOYHIMUUGVOXNP-IRXDYDNUSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)co1 ZINC000995995302 702373668 /nfs/dbraw/zinc/37/36/68/702373668.db2.gz HJHSNVDPYFMERU-MRXNPFEDSA-N 2 1 346.475 1.938 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncc(C)cn3)C2)CC[N@@H+]1C ZINC000999211001 706664050 /nfs/dbraw/zinc/66/40/50/706664050.db2.gz WOMYHJKRFCGGJI-YESZJQIVSA-N 2 1 345.491 1.596 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncc(C)cn3)C2)CC[N@H+]1C ZINC000999211001 706664052 /nfs/dbraw/zinc/66/40/52/706664052.db2.gz WOMYHJKRFCGGJI-YESZJQIVSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944156688 702452634 /nfs/dbraw/zinc/45/26/34/702452634.db2.gz VORHLBDKSAJLKG-DYVFJYSZSA-N 2 1 346.475 1.714 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942055588 702502393 /nfs/dbraw/zinc/50/23/93/702502393.db2.gz BEGGIIJKVSMFBU-HZPDHXFCSA-N 2 1 335.496 1.541 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@H](NCc3cnon3)C(C)(C)C2)CC[N@H+]1C ZINC000996198216 702624704 /nfs/dbraw/zinc/62/47/04/702624704.db2.gz UFQPPIKPHIICFM-YDHLFZDLSA-N 2 1 335.452 1.127 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cnon3)C(C)(C)C2)CC[N@@H+]1C ZINC000996198216 702624707 /nfs/dbraw/zinc/62/47/07/702624707.db2.gz UFQPPIKPHIICFM-YDHLFZDLSA-N 2 1 335.452 1.127 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cnon3)C(C)(C)C2)CC[N@H+]1C ZINC000996198216 702624710 /nfs/dbraw/zinc/62/47/10/702624710.db2.gz UFQPPIKPHIICFM-YDHLFZDLSA-N 2 1 335.452 1.127 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(C)ncn2)C1 ZINC000995208113 702669120 /nfs/dbraw/zinc/66/91/20/702669120.db2.gz GLTQDZNWGHVZSJ-JKSUJKDBSA-N 2 1 342.447 1.365 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)no1 ZINC000996293064 702685455 /nfs/dbraw/zinc/68/54/55/702685455.db2.gz AZGRECPACKXVMX-CZUORRHYSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)no1 ZINC000996293064 702685456 /nfs/dbraw/zinc/68/54/56/702685456.db2.gz AZGRECPACKXVMX-CZUORRHYSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996300443 702691819 /nfs/dbraw/zinc/69/18/19/702691819.db2.gz MGVXVTAWDFYVOL-RHSMWYFYSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996302692 702694923 /nfs/dbraw/zinc/69/49/23/702694923.db2.gz YVVKXQJEDPZONW-NVXWUHKLSA-N 2 1 330.476 1.750 20 0 EDADMP CC1(C)CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cccnc1 ZINC000996414103 702765138 /nfs/dbraw/zinc/76/51/38/702765138.db2.gz INQHGOWSTWJAFY-QGZVFWFLSA-N 2 1 346.475 1.131 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCCO)CC2 ZINC001040953209 702802425 /nfs/dbraw/zinc/80/24/25/702802425.db2.gz KXCRNUKEHKIAEH-QGZVFWFLSA-N 2 1 337.508 1.558 20 0 EDADMP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996478213 702810104 /nfs/dbraw/zinc/81/01/04/702810104.db2.gz QUEJWBNCGQAKSN-WBVHZDCISA-N 2 1 345.491 1.375 20 0 EDADMP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996503457 702825227 /nfs/dbraw/zinc/82/52/27/702825227.db2.gz YYXXCJPPQWNFKO-ZFWWWQNUSA-N 2 1 349.504 1.493 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996521259 702856723 /nfs/dbraw/zinc/85/67/23/702856723.db2.gz VEDNAARQKHRHCH-HUUCEWRRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996521259 702856726 /nfs/dbraw/zinc/85/67/26/702856726.db2.gz VEDNAARQKHRHCH-HUUCEWRRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996521263 702856748 /nfs/dbraw/zinc/85/67/48/702856748.db2.gz VEDNAARQKHRHCH-LSDHHAIUSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996521263 702856751 /nfs/dbraw/zinc/85/67/51/702856751.db2.gz VEDNAARQKHRHCH-LSDHHAIUSA-N 2 1 334.464 1.651 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996607600 702910718 /nfs/dbraw/zinc/91/07/18/702910718.db2.gz CUVVJKGOBIIJAW-ZBFHGGJFSA-N 2 1 333.480 1.181 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+][C@@H](C)c2cnccn2)C(C)(C)C1 ZINC000996610674 702915742 /nfs/dbraw/zinc/91/57/42/702915742.db2.gz JROVQYILJVDXJM-BBRMVZONSA-N 2 1 342.447 1.569 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)s1 ZINC000996611667 702916993 /nfs/dbraw/zinc/91/69/93/702916993.db2.gz NMIFVBWKUICRTN-CYBMUJFWSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC000996613145 702917859 /nfs/dbraw/zinc/91/78/59/702917859.db2.gz UFVPDAUTJZJTJT-HNNXBMFYSA-N 2 1 331.420 1.515 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1ncccn1 ZINC000996610127 702921107 /nfs/dbraw/zinc/92/11/07/702921107.db2.gz YPHHHYDGJUMLFR-SQWLQELKSA-N 2 1 331.464 1.458 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)c1cnccn1 ZINC000996664736 702967042 /nfs/dbraw/zinc/96/70/42/702967042.db2.gz IIYAODJMHNOCOU-AWEZNQCLSA-N 2 1 331.464 1.603 20 0 EDADMP Cc1ncccc1C[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000996664807 702967173 /nfs/dbraw/zinc/96/71/73/702967173.db2.gz JCOIXKDANQJYFX-UHFFFAOYSA-N 2 1 330.476 1.955 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)c1ncccn1 ZINC000996670761 702971981 /nfs/dbraw/zinc/97/19/81/702971981.db2.gz DNZZPHQKMXZVIW-AWEZNQCLSA-N 2 1 331.464 1.603 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)c(C)o1 ZINC000996670722 702972007 /nfs/dbraw/zinc/97/20/07/702972007.db2.gz CWCYDXVHACVJBE-UHFFFAOYSA-N 2 1 334.464 1.856 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000996676787 702975824 /nfs/dbraw/zinc/97/58/24/702975824.db2.gz IFEZBYNPDCQIES-INIZCTEOSA-N 2 1 335.452 1.053 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996678407 702977053 /nfs/dbraw/zinc/97/70/53/702977053.db2.gz NHJWWTZGCZLWQV-MLGOLLRUSA-N 2 1 349.479 1.614 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000355117869 703004474 /nfs/dbraw/zinc/00/44/74/703004474.db2.gz JUFYFMNALFLZPL-IAGOWNOFSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000355117869 703004475 /nfs/dbraw/zinc/00/44/75/703004475.db2.gz JUFYFMNALFLZPL-IAGOWNOFSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000355117869 703004476 /nfs/dbraw/zinc/00/44/76/703004476.db2.gz JUFYFMNALFLZPL-IAGOWNOFSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000996721448 703016402 /nfs/dbraw/zinc/01/64/02/703016402.db2.gz AGDQQGUTDCRQNJ-HNNXBMFYSA-N 2 1 348.495 1.493 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1 ZINC001032684303 706715326 /nfs/dbraw/zinc/71/53/26/706715326.db2.gz KIKGNTGWYCDXHG-OALUTQOASA-N 2 1 349.519 1.964 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1 ZINC001032684303 706715330 /nfs/dbraw/zinc/71/53/30/706715330.db2.gz KIKGNTGWYCDXHG-OALUTQOASA-N 2 1 349.519 1.964 20 0 EDADMP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684491 706715849 /nfs/dbraw/zinc/71/58/49/706715849.db2.gz RVTJVEMPDIAOHR-JLSDUUJJSA-N 2 1 331.460 1.682 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001032027829 703050082 /nfs/dbraw/zinc/05/00/82/703050082.db2.gz ZHIVNAVAUUUMKO-WMZOPIPTSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CN(C)CCO2)c1 ZINC001032331381 703108038 /nfs/dbraw/zinc/10/80/38/703108038.db2.gz BFLRARYPPTWTEB-FHWLQOOXSA-N 2 1 343.471 1.419 20 0 EDADMP Cc1cc(C)cc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CN(C)CCO2)c1 ZINC001032331381 703108041 /nfs/dbraw/zinc/10/80/41/703108041.db2.gz BFLRARYPPTWTEB-FHWLQOOXSA-N 2 1 343.471 1.419 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597980 703112837 /nfs/dbraw/zinc/11/28/37/703112837.db2.gz PDXOVXUKUMOXTR-RHSMWYFYSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccns2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598146 703113398 /nfs/dbraw/zinc/11/33/98/703113398.db2.gz RZDAFPOZUUMQKM-CJNGLKHVSA-N 2 1 336.505 1.812 20 0 EDADMP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032042415 703199792 /nfs/dbraw/zinc/19/97/92/703199792.db2.gz CPMXABJHFREYSM-OALUTQOASA-N 2 1 349.519 1.868 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000997007832 703265292 /nfs/dbraw/zinc/26/52/92/703265292.db2.gz JSDJSNXWKHCODF-BEFAXECRSA-N 2 1 345.487 1.974 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1)[NH+]1CCCCC1 ZINC001032404197 703423711 /nfs/dbraw/zinc/42/37/11/703423711.db2.gz AXXYSLSVYJLVTG-ROUUACIJSA-N 2 1 349.519 1.963 20 0 EDADMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032407391 703432870 /nfs/dbraw/zinc/43/28/70/703432870.db2.gz CJKAKRHTJKPDEY-FHWLQOOXSA-N 2 1 347.503 1.430 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOC2CCC2)CC[N@@H+]1C ZINC001032414004 703466300 /nfs/dbraw/zinc/46/63/00/703466300.db2.gz XWYLYMLKBNVCTK-UOVPBQLFSA-N 2 1 335.492 1.571 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOC2CCC2)CC[N@H+]1C ZINC001032414004 703466302 /nfs/dbraw/zinc/46/63/02/703466302.db2.gz XWYLYMLKBNVCTK-UOVPBQLFSA-N 2 1 335.492 1.571 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOC2CCC2)CC[NH+]1C ZINC001032414004 703466304 /nfs/dbraw/zinc/46/63/04/703466304.db2.gz XWYLYMLKBNVCTK-UOVPBQLFSA-N 2 1 335.492 1.571 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOC2CCC2)CC[NH+]1C ZINC001032414004 703466305 /nfs/dbraw/zinc/46/63/05/703466305.db2.gz XWYLYMLKBNVCTK-UOVPBQLFSA-N 2 1 335.492 1.571 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997300904 703544401 /nfs/dbraw/zinc/54/44/01/703544401.db2.gz ZBGBDUFPUIMHGY-AWEZNQCLSA-N 2 1 332.448 1.123 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccncc3Cl)CC2)C1 ZINC000997298339 703556075 /nfs/dbraw/zinc/55/60/75/703556075.db2.gz IOZWCFPGMPRDRL-AWEZNQCLSA-N 2 1 336.867 1.767 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cc(CO)ccc3F)CC2)C1 ZINC000997299561 703557221 /nfs/dbraw/zinc/55/72/21/703557221.db2.gz PMCIREDEXIXLIR-OAHLLOKOSA-N 2 1 349.450 1.350 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ocnc2C)CC1 ZINC000997366344 703600127 /nfs/dbraw/zinc/60/01/27/703600127.db2.gz CZJHUYXIZWDLHJ-MRXNPFEDSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000997366956 703600982 /nfs/dbraw/zinc/60/09/82/703600982.db2.gz QVYZBJWEADBURI-YJBOKZPZSA-N 2 1 345.491 1.993 20 0 EDADMP Cc1nsc(C)c1CN1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015998289 703756160 /nfs/dbraw/zinc/75/61/60/703756160.db2.gz NTIVJHIJRPUOEW-LSDHHAIUSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015998289 703756162 /nfs/dbraw/zinc/75/61/62/703756162.db2.gz NTIVJHIJRPUOEW-LSDHHAIUSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015998289 703756163 /nfs/dbraw/zinc/75/61/63/703756163.db2.gz NTIVJHIJRPUOEW-LSDHHAIUSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nsc(C)c1C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015998289 703756165 /nfs/dbraw/zinc/75/61/65/703756165.db2.gz NTIVJHIJRPUOEW-LSDHHAIUSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nsc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015998289 703756167 /nfs/dbraw/zinc/75/61/67/703756167.db2.gz NTIVJHIJRPUOEW-LSDHHAIUSA-N 2 1 336.505 1.792 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000997608312 703905306 /nfs/dbraw/zinc/90/53/06/703905306.db2.gz UQBDQWPTIGFDKS-HNNXBMFYSA-N 2 1 347.463 1.369 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000997608312 703905308 /nfs/dbraw/zinc/90/53/08/703905308.db2.gz UQBDQWPTIGFDKS-HNNXBMFYSA-N 2 1 347.463 1.369 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000997611778 703911985 /nfs/dbraw/zinc/91/19/85/703911985.db2.gz HIGFFZDPXVXGBL-CRAIPNDOSA-N 2 1 345.491 1.768 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997642099 703948272 /nfs/dbraw/zinc/94/82/72/703948272.db2.gz MULILBFUOOMLLO-YJBOKZPZSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1nc(CN[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)c(C)o1 ZINC000995550659 703954251 /nfs/dbraw/zinc/95/42/51/703954251.db2.gz KIAWMBUJOMNQAL-HZPDHXFCSA-N 2 1 334.464 1.712 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)c(C)o1 ZINC000995550659 703954256 /nfs/dbraw/zinc/95/42/56/703954256.db2.gz KIAWMBUJOMNQAL-HZPDHXFCSA-N 2 1 334.464 1.712 20 0 EDADMP CC(C)n1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995550999 703955664 /nfs/dbraw/zinc/95/56/64/703955664.db2.gz LKPGNJPSVBHJEP-IRXDYDNUSA-N 2 1 347.507 1.885 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995555526 703975234 /nfs/dbraw/zinc/97/52/34/703975234.db2.gz ZUHVHQKMSOMWRJ-CVEARBPZSA-N 2 1 333.480 1.149 20 0 EDADMP CCn1ncnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000999294464 706791719 /nfs/dbraw/zinc/79/17/19/706791719.db2.gz UBTMDXPBXSYGIO-FXQLRMTLSA-N 2 1 348.495 1.107 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082246 704138529 /nfs/dbraw/zinc/13/85/29/704138529.db2.gz PHQLARGRMBUZCA-SJORKVTESA-N 2 1 332.448 1.358 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082246 704138532 /nfs/dbraw/zinc/13/85/32/704138532.db2.gz PHQLARGRMBUZCA-SJORKVTESA-N 2 1 332.448 1.358 20 0 EDADMP Cc1cc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1C ZINC001033094936 704174106 /nfs/dbraw/zinc/17/41/06/704174106.db2.gz LFPDRJOIJMWGIT-DJIMGWMZSA-N 2 1 333.480 1.101 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000922852618 704438852 /nfs/dbraw/zinc/43/88/52/704438852.db2.gz MLUZOBOXIHGFSX-DOTOQJQBSA-N 2 1 338.496 1.271 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)n2)CC1 ZINC000997777053 704678024 /nfs/dbraw/zinc/67/80/24/704678024.db2.gz SIUZPUACNFXKLM-QGZVFWFLSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1 ZINC000997786886 704696099 /nfs/dbraw/zinc/69/60/99/704696099.db2.gz RKHFIVGFWNJONP-DOTOQJQBSA-N 2 1 325.497 1.458 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1)[NH+](C)C ZINC000997844985 704758507 /nfs/dbraw/zinc/75/85/07/704758507.db2.gz RTKCTOCOASBOSR-HNNXBMFYSA-N 2 1 339.509 1.453 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000997860681 704767445 /nfs/dbraw/zinc/76/74/45/704767445.db2.gz AVMSCJJTYRSGGV-SFHVURJKSA-N 2 1 345.491 1.598 20 0 EDADMP C[C@H]1CN(Cc2nnc(C3CC3)o2)CC[C@@H]1NC(=O)CN1CCCC1 ZINC000944944264 704797033 /nfs/dbraw/zinc/79/70/33/704797033.db2.gz LTQVWIZABQOXFY-ZFWWWQNUSA-N 2 1 347.463 1.369 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC000997947722 705068856 /nfs/dbraw/zinc/06/88/56/705068856.db2.gz DRCQKQGQWRFMNT-IRXDYDNUSA-N 2 1 348.495 1.075 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](CCn2cncn2)CC1 ZINC000997947722 705068861 /nfs/dbraw/zinc/06/88/61/705068861.db2.gz DRCQKQGQWRFMNT-IRXDYDNUSA-N 2 1 348.495 1.075 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](CCn2cncn2)CC1 ZINC000997947722 705068867 /nfs/dbraw/zinc/06/88/67/705068867.db2.gz DRCQKQGQWRFMNT-IRXDYDNUSA-N 2 1 348.495 1.075 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]C[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000998004799 705167413 /nfs/dbraw/zinc/16/74/13/705167413.db2.gz PTXCMBPSSWYSMC-SZMVWBNQSA-N 2 1 337.508 1.581 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC000998032374 705217815 /nfs/dbraw/zinc/21/78/15/705217815.db2.gz STOYKVSQPBXAHN-UHFFFAOYSA-N 2 1 349.479 1.302 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998065499 705277639 /nfs/dbraw/zinc/27/76/39/705277639.db2.gz WKYKYPIVOZRGKQ-MRXNPFEDSA-N 2 1 330.432 1.643 20 0 EDADMP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998076741 705296909 /nfs/dbraw/zinc/29/69/09/705296909.db2.gz CYHUXDWWSXHUOG-SUMWQHHRSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000998078320 705298986 /nfs/dbraw/zinc/29/89/86/705298986.db2.gz LGUANWRWOHLLBM-SUMWQHHRSA-N 2 1 348.491 1.817 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)no1 ZINC000998080956 705300265 /nfs/dbraw/zinc/30/02/65/705300265.db2.gz GJPVQOOHGIHKHL-SUMWQHHRSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1ncoc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000998082115 705308347 /nfs/dbraw/zinc/30/83/47/705308347.db2.gz NPFYIXHRZRHURE-AWEZNQCLSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998083609 705312386 /nfs/dbraw/zinc/31/23/86/705312386.db2.gz WVADFSRZJIXAJP-INIZCTEOSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000998083538 705312761 /nfs/dbraw/zinc/31/27/61/705312761.db2.gz WBMCJJKCZKKVHD-CYBMUJFWSA-N 2 1 337.493 1.351 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000998083538 705312763 /nfs/dbraw/zinc/31/27/63/705312763.db2.gz WBMCJJKCZKKVHD-CYBMUJFWSA-N 2 1 337.493 1.351 20 0 EDADMP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)c1 ZINC001032602335 705393283 /nfs/dbraw/zinc/39/32/83/705393283.db2.gz ORROBHRRJBWBQP-ROUUACIJSA-N 2 1 343.471 1.822 20 0 EDADMP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)c1 ZINC001032602335 705393286 /nfs/dbraw/zinc/39/32/86/705393286.db2.gz ORROBHRRJBWBQP-ROUUACIJSA-N 2 1 343.471 1.822 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998152855 705427907 /nfs/dbraw/zinc/42/79/07/705427907.db2.gz BMUWVDOUOAWESD-UHFFFAOYSA-N 2 1 346.475 1.132 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2nonc2C)CC1 ZINC000998190540 705492812 /nfs/dbraw/zinc/49/28/12/705492812.db2.gz QOFOYOWURMJVEA-JKSUJKDBSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](Cc2nonc2C)CC1 ZINC000998190540 705492813 /nfs/dbraw/zinc/49/28/13/705492813.db2.gz QOFOYOWURMJVEA-JKSUJKDBSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](Cc2nonc2C)CC1 ZINC000998190540 705492815 /nfs/dbraw/zinc/49/28/15/705492815.db2.gz QOFOYOWURMJVEA-JKSUJKDBSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](Cc2nonc2C)CC1 ZINC000998190540 705492820 /nfs/dbraw/zinc/49/28/20/705492820.db2.gz QOFOYOWURMJVEA-JKSUJKDBSA-N 2 1 349.479 1.533 20 0 EDADMP COc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000998273383 705653847 /nfs/dbraw/zinc/65/38/47/705653847.db2.gz PFFIEZAOCVAUAM-KRWDZBQOSA-N 2 1 346.475 1.370 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000998287690 705683007 /nfs/dbraw/zinc/68/30/07/705683007.db2.gz PTPFZYPXKJGACD-OKILXGFUSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000998287690 705683012 /nfs/dbraw/zinc/68/30/12/705683012.db2.gz PTPFZYPXKJGACD-OKILXGFUSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1cc(F)ccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998585319 706018099 /nfs/dbraw/zinc/01/80/99/706018099.db2.gz IXBZQXSKISWMTL-ABHNRTSZSA-N 2 1 349.450 1.544 20 0 EDADMP Cc1cc(F)ccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998585319 706018100 /nfs/dbraw/zinc/01/81/00/706018100.db2.gz IXBZQXSKISWMTL-ABHNRTSZSA-N 2 1 349.450 1.544 20 0 EDADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1F ZINC000998587260 706026382 /nfs/dbraw/zinc/02/63/82/706026382.db2.gz SZQOQCRUROAMGY-LEOMRAHMSA-N 2 1 349.450 1.544 20 0 EDADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1F ZINC000998587260 706026384 /nfs/dbraw/zinc/02/63/84/706026384.db2.gz SZQOQCRUROAMGY-LEOMRAHMSA-N 2 1 349.450 1.544 20 0 EDADMP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC000998720620 706147750 /nfs/dbraw/zinc/14/77/50/706147750.db2.gz JPWGTIILJQSOOJ-SJLPKXTDSA-N 2 1 331.460 1.870 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(CO)ccc2F)C1 ZINC000998728163 706158017 /nfs/dbraw/zinc/15/80/17/706158017.db2.gz BTRIUDSFLMPMAE-FUHWJXTLSA-N 2 1 349.450 1.493 20 0 EDADMP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000998762352 706200221 /nfs/dbraw/zinc/20/02/21/706200221.db2.gz BKEODXXGJIVRBR-ABHNRTSZSA-N 2 1 347.507 1.855 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998762857 706201705 /nfs/dbraw/zinc/20/17/05/706201705.db2.gz ITFWZXAEBNZIFW-DQPZFDDXSA-N 2 1 333.480 1.372 20 0 EDADMP Cc1ccnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC000998779823 706220569 /nfs/dbraw/zinc/22/05/69/706220569.db2.gz GBVRCXYVCYQBMF-OFLPRAFFSA-N 2 1 343.475 1.206 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC000998792207 706239130 /nfs/dbraw/zinc/23/91/30/706239130.db2.gz VQYRLEPAPRWOOW-MLVVQWTHSA-N 2 1 336.505 1.871 20 0 EDADMP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000998995389 706412662 /nfs/dbraw/zinc/41/26/62/706412662.db2.gz RGNHKJHBNSDLAL-JCYILVPMSA-N 2 1 346.475 1.654 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)o1 ZINC000998995980 706413953 /nfs/dbraw/zinc/41/39/53/706413953.db2.gz XMECWCJTTWDHRT-RUXDESIVSA-N 2 1 335.452 1.195 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)o1 ZINC000998995980 706413955 /nfs/dbraw/zinc/41/39/55/706413955.db2.gz XMECWCJTTWDHRT-RUXDESIVSA-N 2 1 335.452 1.195 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+][C@H](C)c2cnc(C)cn2)C1 ZINC000999123230 706548545 /nfs/dbraw/zinc/54/85/45/706548545.db2.gz FHJHAASKKIMYSF-QQFBHYJXSA-N 2 1 342.447 1.630 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999131214 706566250 /nfs/dbraw/zinc/56/62/50/706566250.db2.gz AVWHHXCKDNCXOC-IAGOWNOFSA-N 2 1 333.480 1.337 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nc1 ZINC000999375052 706869698 /nfs/dbraw/zinc/86/96/98/706869698.db2.gz TVTVLWLSEXOUGG-RDJZCZTQSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1nnsc1C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999377561 706871784 /nfs/dbraw/zinc/87/17/84/706871784.db2.gz NMASBRZMZBBBCX-CYBMUJFWSA-N 2 1 337.493 1.411 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)on1 ZINC000999398137 706892685 /nfs/dbraw/zinc/89/26/85/706892685.db2.gz COZSQZFCYPUCFH-HOTGVXAUSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000999398869 706893332 /nfs/dbraw/zinc/89/33/32/706893332.db2.gz ASZMNZMTXGZBPH-HPUBIQBYSA-N 2 1 333.480 1.026 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999399172 706893824 /nfs/dbraw/zinc/89/38/24/706893824.db2.gz FLNCZXYBEYBUNS-JKSUJKDBSA-N 2 1 348.495 1.253 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999399172 706893827 /nfs/dbraw/zinc/89/38/27/706893827.db2.gz FLNCZXYBEYBUNS-JKSUJKDBSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999399644 706894305 /nfs/dbraw/zinc/89/43/05/706894305.db2.gz IXCFTNXLTRJMIP-DLBZAZTESA-N 2 1 334.464 1.938 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)[nH]1 ZINC000999406599 706915631 /nfs/dbraw/zinc/91/56/31/706915631.db2.gz OMXLSGZGYXQLQY-NFOMZHRRSA-N 2 1 348.495 1.491 20 0 EDADMP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999409871 706919605 /nfs/dbraw/zinc/91/96/05/706919605.db2.gz UGDADECRWMTMBH-IUDNXUCKSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nc1 ZINC000999409881 706919878 /nfs/dbraw/zinc/91/98/78/706919878.db2.gz UKANGYZZKQAZHS-IUDNXUCKSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc1 ZINC000999409881 706919880 /nfs/dbraw/zinc/91/98/80/706919880.db2.gz UKANGYZZKQAZHS-IUDNXUCKSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000999629656 707154818 /nfs/dbraw/zinc/15/48/18/707154818.db2.gz PIAZCNMTIYGJFJ-UHFFFAOYSA-N 2 1 349.479 1.577 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999687759 707241731 /nfs/dbraw/zinc/24/17/31/707241731.db2.gz JGQQBTIICSYUTN-LMDPOFIKSA-N 2 1 345.487 1.600 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]CCc2scnc2C)C1 ZINC000999725533 707266929 /nfs/dbraw/zinc/26/69/29/707266929.db2.gz MIIGGEVNFFZXBH-HNNXBMFYSA-N 2 1 347.488 1.780 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CCF)C[C@H]3CC2)CC[N@H+]1C ZINC000946735533 707300385 /nfs/dbraw/zinc/30/03/85/707300385.db2.gz NTUPGCRFLXOAPY-LUKYLMHMSA-N 2 1 325.472 1.857 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCF)C[C@H]3CC2)CC[NH+]1C ZINC000946735533 707300390 /nfs/dbraw/zinc/30/03/90/707300390.db2.gz NTUPGCRFLXOAPY-LUKYLMHMSA-N 2 1 325.472 1.857 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCF)C[C@H]3CC2)CC[NH+]1C ZINC000946735533 707300396 /nfs/dbraw/zinc/30/03/96/707300396.db2.gz NTUPGCRFLXOAPY-LUKYLMHMSA-N 2 1 325.472 1.857 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]3C[N@@H+](CCF)C[C@H]3CC1)CC2 ZINC000946740331 707331381 /nfs/dbraw/zinc/33/13/81/707331381.db2.gz ZXAPLSACKOMORL-IXDOHACOSA-N 2 1 348.466 1.894 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]3C[N@H+](CCF)C[C@H]3CC1)CC2 ZINC000946740331 707331384 /nfs/dbraw/zinc/33/13/84/707331384.db2.gz ZXAPLSACKOMORL-IXDOHACOSA-N 2 1 348.466 1.894 20 0 EDADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279606 707347067 /nfs/dbraw/zinc/34/70/67/707347067.db2.gz VQHJGHAGZVPALW-NRGCRIOASA-N 2 1 349.519 1.819 20 0 EDADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033279606 707347072 /nfs/dbraw/zinc/34/70/72/707347072.db2.gz VQHJGHAGZVPALW-NRGCRIOASA-N 2 1 349.519 1.819 20 0 EDADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033279606 707347074 /nfs/dbraw/zinc/34/70/74/707347074.db2.gz VQHJGHAGZVPALW-NRGCRIOASA-N 2 1 349.519 1.819 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033296615 707407211 /nfs/dbraw/zinc/40/72/11/707407211.db2.gz WPBSKPTXKMSUAD-HKUYNNGSSA-N 2 1 349.519 1.963 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033196659 707411044 /nfs/dbraw/zinc/41/10/44/707411044.db2.gz DNTBFNGBSQAOAO-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033196659 707411046 /nfs/dbraw/zinc/41/10/46/707411046.db2.gz DNTBFNGBSQAOAO-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033196659 707411048 /nfs/dbraw/zinc/41/10/48/707411048.db2.gz DNTBFNGBSQAOAO-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC(NCc2nc(C(C)(C)C)no2)C1 ZINC000999833785 707465421 /nfs/dbraw/zinc/46/54/21/707465421.db2.gz CRHHVYGKGILJGI-IYXRBSQSSA-N 2 1 349.479 1.398 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC000999833785 707465428 /nfs/dbraw/zinc/46/54/28/707465428.db2.gz CRHHVYGKGILJGI-IYXRBSQSSA-N 2 1 349.479 1.398 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC000999833785 707465433 /nfs/dbraw/zinc/46/54/33/707465433.db2.gz CRHHVYGKGILJGI-IYXRBSQSSA-N 2 1 349.479 1.398 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nocc2C)C1 ZINC000999875857 707522588 /nfs/dbraw/zinc/52/25/88/707522588.db2.gz BODUXFGYAHHCOF-DQPZFDDXSA-N 2 1 334.464 1.936 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncccn2)C1 ZINC000999876773 707525029 /nfs/dbraw/zinc/52/50/29/707525029.db2.gz RJHMOJFYGVQMHT-UYSNPLJNSA-N 2 1 331.464 1.430 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncccn2)C1 ZINC000999876773 707525033 /nfs/dbraw/zinc/52/50/33/707525033.db2.gz RJHMOJFYGVQMHT-UYSNPLJNSA-N 2 1 331.464 1.430 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC000999972031 707582622 /nfs/dbraw/zinc/58/26/22/707582622.db2.gz FLRVNFUSOCFHFB-JKSUJKDBSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC000999972031 707582626 /nfs/dbraw/zinc/58/26/26/707582626.db2.gz FLRVNFUSOCFHFB-JKSUJKDBSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CCn3cccn3)C2)C1 ZINC001033354005 707609551 /nfs/dbraw/zinc/60/95/51/707609551.db2.gz LKPBCWKKBKZKKF-ROUUACIJSA-N 2 1 347.507 1.538 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCn3cccn3)C2)C1 ZINC001033354005 707609553 /nfs/dbraw/zinc/60/95/53/707609553.db2.gz LKPBCWKKBKZKKF-ROUUACIJSA-N 2 1 347.507 1.538 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCn3cccn3)C2)C1 ZINC001033354005 707609555 /nfs/dbraw/zinc/60/95/55/707609555.db2.gz LKPBCWKKBKZKKF-ROUUACIJSA-N 2 1 347.507 1.538 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](CCC3CC3)C2)nn1 ZINC000999964241 707630124 /nfs/dbraw/zinc/63/01/24/707630124.db2.gz WWXIGQLPDPMTHX-IRXDYDNUSA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CCC3CC3)C2)nn1 ZINC000999964241 707630127 /nfs/dbraw/zinc/63/01/27/707630127.db2.gz WWXIGQLPDPMTHX-IRXDYDNUSA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CCC3CC3)C2)nn1 ZINC000999964241 707630128 /nfs/dbraw/zinc/63/01/28/707630128.db2.gz WWXIGQLPDPMTHX-IRXDYDNUSA-N 2 1 346.479 1.035 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001033397645 707737510 /nfs/dbraw/zinc/73/75/10/707737510.db2.gz ULUWMLKJFACACL-HUUCEWRRSA-N 2 1 345.434 1.285 20 0 EDADMP CC1(C)CO[C@@H](C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001032733633 707741466 /nfs/dbraw/zinc/74/14/66/707741466.db2.gz DUGDNEUNHZEWKO-HRCADAONSA-N 2 1 333.476 1.182 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032736614 707750603 /nfs/dbraw/zinc/75/06/03/707750603.db2.gz WAAZXYDFAQNRTI-HOTGVXAUSA-N 2 1 344.459 1.473 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032736614 707750606 /nfs/dbraw/zinc/75/06/06/707750606.db2.gz WAAZXYDFAQNRTI-HOTGVXAUSA-N 2 1 344.459 1.473 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC001033418383 707802270 /nfs/dbraw/zinc/80/22/70/707802270.db2.gz BZMCGTFFMOWILD-HUUCEWRRSA-N 2 1 336.505 1.703 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033418383 707802273 /nfs/dbraw/zinc/80/22/73/707802273.db2.gz BZMCGTFFMOWILD-HUUCEWRRSA-N 2 1 336.505 1.703 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033418383 707802277 /nfs/dbraw/zinc/80/22/77/707802277.db2.gz BZMCGTFFMOWILD-HUUCEWRRSA-N 2 1 336.505 1.703 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)cn1 ZINC001033420391 707830918 /nfs/dbraw/zinc/83/09/18/707830918.db2.gz OUBORPJTZBTDNE-WMZOPIPTSA-N 2 1 347.507 1.320 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC001033420391 707830922 /nfs/dbraw/zinc/83/09/22/707830922.db2.gz OUBORPJTZBTDNE-WMZOPIPTSA-N 2 1 347.507 1.320 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)cn1 ZINC001033420391 707830926 /nfs/dbraw/zinc/83/09/26/707830926.db2.gz OUBORPJTZBTDNE-WMZOPIPTSA-N 2 1 347.507 1.320 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033225022 707849715 /nfs/dbraw/zinc/84/97/15/707849715.db2.gz CBTACCCAGWIRDX-IRXDYDNUSA-N 2 1 349.519 1.963 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001033229944 707889101 /nfs/dbraw/zinc/88/91/01/707889101.db2.gz XFKGNRBPZPGVRB-SJORKVTESA-N 2 1 335.492 1.717 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001033474057 707963114 /nfs/dbraw/zinc/96/31/14/707963114.db2.gz FGXBWAGFWQDINN-GOSISDBHSA-N 2 1 345.491 1.550 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001033474057 707963115 /nfs/dbraw/zinc/96/31/15/707963115.db2.gz FGXBWAGFWQDINN-GOSISDBHSA-N 2 1 345.491 1.550 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(CF)cc2)C1 ZINC001032781779 707968181 /nfs/dbraw/zinc/96/81/81/707968181.db2.gz IDYFHUUMKRUDOP-BZSNNMDCSA-N 2 1 331.435 1.893 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(CF)cc2)C1 ZINC001032781779 707968184 /nfs/dbraw/zinc/96/81/84/707968184.db2.gz IDYFHUUMKRUDOP-BZSNNMDCSA-N 2 1 331.435 1.893 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(CF)cc2)C1 ZINC001032781779 707968188 /nfs/dbraw/zinc/96/81/88/707968188.db2.gz IDYFHUUMKRUDOP-BZSNNMDCSA-N 2 1 331.435 1.893 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(CF)cc2)C1 ZINC001032781779 707968191 /nfs/dbraw/zinc/96/81/91/707968191.db2.gz IDYFHUUMKRUDOP-BZSNNMDCSA-N 2 1 331.435 1.893 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(CF)cc2)C1 ZINC001032781779 707968196 /nfs/dbraw/zinc/96/81/96/707968196.db2.gz IDYFHUUMKRUDOP-BZSNNMDCSA-N 2 1 331.435 1.893 20 0 EDADMP Cc1nccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1cccs1 ZINC001032784198 707983125 /nfs/dbraw/zinc/98/31/25/707983125.db2.gz MHBVTHQXIPAPIT-GJZGRUSLSA-N 2 1 330.457 1.781 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1cccs1 ZINC001032784198 707983127 /nfs/dbraw/zinc/98/31/27/707983127.db2.gz MHBVTHQXIPAPIT-GJZGRUSLSA-N 2 1 330.457 1.781 20 0 EDADMP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033490933 707985439 /nfs/dbraw/zinc/98/54/39/707985439.db2.gz YMFPSXHHAGGNTH-QGZVFWFLSA-N 2 1 333.480 1.391 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1C ZINC000921776253 708015099 /nfs/dbraw/zinc/01/50/99/708015099.db2.gz QUEYMQRBCNAZBZ-RHSMWYFYSA-N 2 1 331.464 1.690 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1C ZINC000921776255 708015350 /nfs/dbraw/zinc/01/53/50/708015350.db2.gz QUEYMQRBCNAZBZ-YOEHRIQHSA-N 2 1 331.464 1.690 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCOCC1 ZINC001032802471 708088225 /nfs/dbraw/zinc/08/82/25/708088225.db2.gz ABXZEXVDIMOUQN-GBESFXJTSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032802471 708088227 /nfs/dbraw/zinc/08/82/27/708088227.db2.gz ABXZEXVDIMOUQN-GBESFXJTSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032802471 708088231 /nfs/dbraw/zinc/08/82/31/708088231.db2.gz ABXZEXVDIMOUQN-GBESFXJTSA-N 2 1 349.519 1.963 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582730 708266229 /nfs/dbraw/zinc/26/62/29/708266229.db2.gz QCUDCUQWEOLJRL-DOTOQJQBSA-N 2 1 333.480 1.103 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033582730 708266231 /nfs/dbraw/zinc/26/62/31/708266231.db2.gz QCUDCUQWEOLJRL-DOTOQJQBSA-N 2 1 333.480 1.103 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033582730 708266232 /nfs/dbraw/zinc/26/62/32/708266232.db2.gz QCUDCUQWEOLJRL-DOTOQJQBSA-N 2 1 333.480 1.103 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033571406 708274779 /nfs/dbraw/zinc/27/47/79/708274779.db2.gz NVOGOSSFEHWFQY-MAUKXSAKSA-N 2 1 337.508 1.676 20 0 EDADMP CCc1onc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592859 708292129 /nfs/dbraw/zinc/29/21/29/708292129.db2.gz IJUKPNYJPRTCPU-HNNXBMFYSA-N 2 1 346.475 1.674 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)on1 ZINC001001831835 708335955 /nfs/dbraw/zinc/33/59/55/708335955.db2.gz ARELXFLVOLMCRB-SUMWQHHRSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001834039 708360555 /nfs/dbraw/zinc/36/05/55/708360555.db2.gz NUPPJSYNJIKSJY-RDTXWAMCSA-N 2 1 347.507 1.254 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659448 708470983 /nfs/dbraw/zinc/47/09/83/708470983.db2.gz XHIQMVNBAQLNRW-HNNXBMFYSA-N 2 1 336.505 1.623 20 0 EDADMP Cc1ncsc1C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002119650 708632837 /nfs/dbraw/zinc/63/28/37/708632837.db2.gz CMHPDVAZYQFSIC-OAHLLOKOSA-N 2 1 336.505 1.731 20 0 EDADMP CO[C@@H](C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC001002125428 708640517 /nfs/dbraw/zinc/64/05/17/708640517.db2.gz KKIWPTUXHWNSFQ-ROUUACIJSA-N 2 1 337.508 1.581 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](CCC3CCOCC3)CC2)C1 ZINC001002125318 708640607 /nfs/dbraw/zinc/64/06/07/708640607.db2.gz IXNATTVMWNCLBB-SFHVURJKSA-N 2 1 337.508 1.583 20 0 EDADMP CCn1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001002128115 708644511 /nfs/dbraw/zinc/64/45/11/708644511.db2.gz UPBSTRBAIFRYMF-MRXNPFEDSA-N 2 1 333.480 1.183 20 0 EDADMP CCn1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001002128115 708644514 /nfs/dbraw/zinc/64/45/14/708644514.db2.gz UPBSTRBAIFRYMF-MRXNPFEDSA-N 2 1 333.480 1.183 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CCO[C@H]3CC3(F)F)CC2)C1 ZINC001002128136 708644744 /nfs/dbraw/zinc/64/47/44/708644744.db2.gz VXOAUZSWYRSPGL-CABCVRRESA-N 2 1 345.434 1.191 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](Cc3cccnc3)CC2)C1 ZINC001002139575 708676524 /nfs/dbraw/zinc/67/65/24/708676524.db2.gz YZPSMZCVXYSVRM-GOSISDBHSA-N 2 1 346.475 1.131 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](Cc3cccnc3)CC2)C1 ZINC001002139575 708676525 /nfs/dbraw/zinc/67/65/25/708676525.db2.gz YZPSMZCVXYSVRM-GOSISDBHSA-N 2 1 346.475 1.131 20 0 EDADMP CCN(C(=O)[C@H]1CN(C)CCO1)[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033789391 708700120 /nfs/dbraw/zinc/70/01/20/708700120.db2.gz NVWGZKWDDKVTAZ-LSDHHAIUSA-N 2 1 345.434 1.285 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000921884310 708787248 /nfs/dbraw/zinc/78/72/48/708787248.db2.gz UCCHPTGBACCZGS-QZTJIDSGSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000921884310 708787253 /nfs/dbraw/zinc/78/72/53/708787253.db2.gz UCCHPTGBACCZGS-QZTJIDSGSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000921884310 708787257 /nfs/dbraw/zinc/78/72/57/708787257.db2.gz UCCHPTGBACCZGS-QZTJIDSGSA-N 2 1 346.475 1.147 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033826923 708828196 /nfs/dbraw/zinc/82/81/96/708828196.db2.gz XEFFNLALDPWNEF-ZWKOTPCHSA-N 2 1 347.507 1.679 20 0 EDADMP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001005426346 708978298 /nfs/dbraw/zinc/97/82/98/708978298.db2.gz SHIRKFOGGZBJDF-ZWKOTPCHSA-N 2 1 335.492 1.739 20 0 EDADMP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001005426327 708978394 /nfs/dbraw/zinc/97/83/94/708978394.db2.gz SHIRKFOGGZBJDF-MSOLQXFVSA-N 2 1 335.492 1.739 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357457646 708990932 /nfs/dbraw/zinc/99/09/32/708990932.db2.gz PDAFALJDZWBTGX-RTBURBONSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000357457646 708990936 /nfs/dbraw/zinc/99/09/36/708990936.db2.gz PDAFALJDZWBTGX-RTBURBONSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000357457646 708990940 /nfs/dbraw/zinc/99/09/40/708990940.db2.gz PDAFALJDZWBTGX-RTBURBONSA-N 2 1 345.487 1.734 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC001034012498 709225606 /nfs/dbraw/zinc/22/56/06/709225606.db2.gz FVWZZMUFVVBABD-QGZVFWFLSA-N 2 1 342.487 1.909 20 0 EDADMP CCc1onc(C)c1C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034037623 709269684 /nfs/dbraw/zinc/26/96/84/709269684.db2.gz CUQFRXGSOKBEFP-CVEARBPZSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034037623 709269685 /nfs/dbraw/zinc/26/96/85/709269685.db2.gz CUQFRXGSOKBEFP-CVEARBPZSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034037623 709269686 /nfs/dbraw/zinc/26/96/86/709269686.db2.gz CUQFRXGSOKBEFP-CVEARBPZSA-N 2 1 348.491 1.920 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001034037670 709270130 /nfs/dbraw/zinc/27/01/30/709270130.db2.gz DHIBVVWMKGHBMB-HUUCEWRRSA-N 2 1 336.505 1.560 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC001034037670 709270131 /nfs/dbraw/zinc/27/01/31/709270131.db2.gz DHIBVVWMKGHBMB-HUUCEWRRSA-N 2 1 336.505 1.560 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC001034037670 709270133 /nfs/dbraw/zinc/27/01/33/709270133.db2.gz DHIBVVWMKGHBMB-HUUCEWRRSA-N 2 1 336.505 1.560 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccc(OC)n2)C1 ZINC001034041630 709290788 /nfs/dbraw/zinc/29/07/88/709290788.db2.gz GNPUDUJEDVENOS-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cccc(OC)n2)C1 ZINC001034041630 709290792 /nfs/dbraw/zinc/29/07/92/709290792.db2.gz GNPUDUJEDVENOS-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(OC)n2)C1 ZINC001034041630 709290796 /nfs/dbraw/zinc/29/07/96/709290796.db2.gz GNPUDUJEDVENOS-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(OC)n2)C1 ZINC001034041630 709290799 /nfs/dbraw/zinc/29/07/99/709290799.db2.gz GNPUDUJEDVENOS-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCCc2nc(C)no2)C1 ZINC001034042526 709292598 /nfs/dbraw/zinc/29/25/98/709292598.db2.gz PNXZLJWCVLDLEG-CVEARBPZSA-N 2 1 349.479 1.185 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCCc2nc(C)no2)C1 ZINC001034042526 709292602 /nfs/dbraw/zinc/29/26/02/709292602.db2.gz PNXZLJWCVLDLEG-CVEARBPZSA-N 2 1 349.479 1.185 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001034046158 709298827 /nfs/dbraw/zinc/29/88/27/709298827.db2.gz UYQTXNAEEKVMMP-ZWKOTPCHSA-N 2 1 345.487 1.940 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCOc2ccccc2)C1 ZINC001034046158 709298829 /nfs/dbraw/zinc/29/88/29/709298829.db2.gz UYQTXNAEEKVMMP-ZWKOTPCHSA-N 2 1 345.487 1.940 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCOc2ccccc2)C1 ZINC001034046158 709298830 /nfs/dbraw/zinc/29/88/30/709298830.db2.gz UYQTXNAEEKVMMP-ZWKOTPCHSA-N 2 1 345.487 1.940 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)o1 ZINC001002812986 709420857 /nfs/dbraw/zinc/42/08/57/709420857.db2.gz VOAZNMHTMJFSOQ-DOTOQJQBSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)o1 ZINC001002812986 709420860 /nfs/dbraw/zinc/42/08/60/709420860.db2.gz VOAZNMHTMJFSOQ-DOTOQJQBSA-N 2 1 346.475 1.938 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3cc(C4CC4)no3)CC2)CC[N@@H+]1C ZINC001002860286 709468516 /nfs/dbraw/zinc/46/85/16/709468516.db2.gz LCYLDPQZIIBWEB-CXAGYDPISA-N 2 1 346.475 1.973 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3cc(C4CC4)no3)CC2)CC[N@H+]1C ZINC001002860286 709468517 /nfs/dbraw/zinc/46/85/17/709468517.db2.gz LCYLDPQZIIBWEB-CXAGYDPISA-N 2 1 346.475 1.973 20 0 EDADMP O=C(NC1CC[NH+](C/C=C\Cl)CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001002875782 709483069 /nfs/dbraw/zinc/48/30/69/709483069.db2.gz QZKAVCAKBHTCON-YHUXVREISA-N 2 1 327.856 1.183 20 0 EDADMP Cn1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001034209002 709558443 /nfs/dbraw/zinc/55/84/43/709558443.db2.gz WELXNPYIUQOPRY-ZWKOTPCHSA-N 2 1 345.491 1.233 20 0 EDADMP CO[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034256928 709640925 /nfs/dbraw/zinc/64/09/25/709640925.db2.gz FEASXNDGXGRHHU-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001002994405 709742289 /nfs/dbraw/zinc/74/22/89/709742289.db2.gz HGTQZOSGJQMCKJ-HZPDHXFCSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1)OC ZINC001002995606 709743200 /nfs/dbraw/zinc/74/32/00/709743200.db2.gz POCPSSVUGMINMC-SJLPKXTDSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034321992 709773420 /nfs/dbraw/zinc/77/34/20/709773420.db2.gz YEZDNRDKJLBAOK-NNVNDSJASA-N 2 1 347.503 1.787 20 0 EDADMP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034321992 709773424 /nfs/dbraw/zinc/77/34/24/709773424.db2.gz YEZDNRDKJLBAOK-NNVNDSJASA-N 2 1 347.503 1.787 20 0 EDADMP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034321992 709773428 /nfs/dbraw/zinc/77/34/28/709773428.db2.gz YEZDNRDKJLBAOK-NNVNDSJASA-N 2 1 347.503 1.787 20 0 EDADMP CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](CCn2cncn2)C1)[NH+]1CCCC1 ZINC001034339564 709801188 /nfs/dbraw/zinc/80/11/88/709801188.db2.gz JAVZMXNWAQLAHN-MRXNPFEDSA-N 2 1 348.495 1.123 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3ccccn3)C2)C1 ZINC001034401418 709946618 /nfs/dbraw/zinc/94/66/18/709946618.db2.gz JBDIDTZQKXBGQW-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)on1 ZINC001034487187 710134216 /nfs/dbraw/zinc/13/42/16/710134216.db2.gz MPQPWHBYYFPQMJ-OAHLLOKOSA-N 2 1 332.448 1.550 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)on1 ZINC001034487187 710134220 /nfs/dbraw/zinc/13/42/20/710134220.db2.gz MPQPWHBYYFPQMJ-OAHLLOKOSA-N 2 1 332.448 1.550 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001003230239 710150922 /nfs/dbraw/zinc/15/09/22/710150922.db2.gz MJJZOALCDWFHIU-AEFFLSMTSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1ncsc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034526336 710178569 /nfs/dbraw/zinc/17/85/69/710178569.db2.gz XGPJAODCLQAYPQ-CABCVRRESA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncsc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034526336 710178572 /nfs/dbraw/zinc/17/85/72/710178572.db2.gz XGPJAODCLQAYPQ-CABCVRRESA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncsc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034526336 710178574 /nfs/dbraw/zinc/17/85/74/710178574.db2.gz XGPJAODCLQAYPQ-CABCVRRESA-N 2 1 336.505 1.874 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001003319082 710247579 /nfs/dbraw/zinc/24/75/79/710247579.db2.gz QYXSPTIOUBAGIH-MRXNPFEDSA-N 2 1 334.464 1.587 20 0 EDADMP Cn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC001034608026 710267655 /nfs/dbraw/zinc/26/76/55/710267655.db2.gz XIQMSBYACVLQDY-BRWVUGGUSA-N 2 1 333.480 1.074 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1 ZINC001034606736 710269916 /nfs/dbraw/zinc/26/99/16/710269916.db2.gz BYPRMNHENUFGMG-BZUAXINKSA-N 2 1 331.464 1.396 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC001034648500 710325351 /nfs/dbraw/zinc/32/53/51/710325351.db2.gz KBZNAQYBSUUVEW-JYJNAYRXSA-N 2 1 347.463 1.237 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nccn3C)CC2)CC[N@H+]1C ZINC001034649386 710325872 /nfs/dbraw/zinc/32/58/72/710325872.db2.gz IGVPXPDRWIYSJI-LUKYLMHMSA-N 2 1 347.507 1.667 20 0 EDADMP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001034663050 710332483 /nfs/dbraw/zinc/33/24/83/710332483.db2.gz OZDKDEJZFLTIGF-NBOOPKSLSA-N 2 1 337.508 1.791 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cn1 ZINC001003506423 710387927 /nfs/dbraw/zinc/38/79/27/710387927.db2.gz FOOJHQCYGGMRMM-HOTGVXAUSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cn1 ZINC001003506423 710387930 /nfs/dbraw/zinc/38/79/30/710387930.db2.gz FOOJHQCYGGMRMM-HOTGVXAUSA-N 2 1 345.491 1.596 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC001003544181 710412145 /nfs/dbraw/zinc/41/21/45/710412145.db2.gz KYZJKXDKEQIWRX-UHFFFAOYSA-N 2 1 346.475 1.513 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CCC2CCOCC2)CC1 ZINC001003628194 710458353 /nfs/dbraw/zinc/45/83/53/710458353.db2.gz NXDHUSBLNKJDAF-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001032843749 710492640 /nfs/dbraw/zinc/49/26/40/710492640.db2.gz RMHAXNUOVVPKJC-CEXWTWQISA-N 2 1 345.487 1.785 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001032843749 710492641 /nfs/dbraw/zinc/49/26/41/710492641.db2.gz RMHAXNUOVVPKJC-CEXWTWQISA-N 2 1 345.487 1.785 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001032843749 710492642 /nfs/dbraw/zinc/49/26/42/710492642.db2.gz RMHAXNUOVVPKJC-CEXWTWQISA-N 2 1 345.487 1.785 20 0 EDADMP COc1ccccc1CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044292816 710629701 /nfs/dbraw/zinc/62/97/01/710629701.db2.gz SDQQBLYDNTUVHW-QGZVFWFLSA-N 2 1 345.487 1.722 20 0 EDADMP COc1ccccc1CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044292816 710629705 /nfs/dbraw/zinc/62/97/05/710629705.db2.gz SDQQBLYDNTUVHW-QGZVFWFLSA-N 2 1 345.487 1.722 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC001005590729 710645777 /nfs/dbraw/zinc/64/57/77/710645777.db2.gz DNGYBUBAEHEJKK-QGZVFWFLSA-N 2 1 333.480 1.327 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC001005590729 710645780 /nfs/dbraw/zinc/64/57/80/710645780.db2.gz DNGYBUBAEHEJKK-QGZVFWFLSA-N 2 1 333.480 1.327 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034690920 710763484 /nfs/dbraw/zinc/76/34/84/710763484.db2.gz CUPVGSOEWARYFY-QAQDUYKDSA-N 2 1 334.464 1.635 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCN(Cc2ccnc(Cl)c2)C1 ZINC001032944010 710918112 /nfs/dbraw/zinc/91/81/12/710918112.db2.gz HPIICEQKVONBJA-GJZGRUSLSA-N 2 1 336.867 1.862 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC001034737876 710951679 /nfs/dbraw/zinc/95/16/79/710951679.db2.gz OBJXKVXBGZWGDG-MGHWNKPDSA-N 2 1 345.491 1.500 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001032958517 710951886 /nfs/dbraw/zinc/95/18/86/710951886.db2.gz BIFNNWQNOCMYAO-SJORKVTESA-N 2 1 333.480 1.127 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001032958517 710951889 /nfs/dbraw/zinc/95/18/89/710951889.db2.gz BIFNNWQNOCMYAO-SJORKVTESA-N 2 1 333.480 1.127 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001032958517 710951894 /nfs/dbraw/zinc/95/18/94/710951894.db2.gz BIFNNWQNOCMYAO-SJORKVTESA-N 2 1 333.480 1.127 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032967402 711027328 /nfs/dbraw/zinc/02/73/28/711027328.db2.gz IMCOQFYZSCJDQP-FUHWJXTLSA-N 2 1 331.460 1.822 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001032967402 711027333 /nfs/dbraw/zinc/02/73/33/711027333.db2.gz IMCOQFYZSCJDQP-FUHWJXTLSA-N 2 1 331.460 1.822 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001032967402 711027335 /nfs/dbraw/zinc/02/73/35/711027335.db2.gz IMCOQFYZSCJDQP-FUHWJXTLSA-N 2 1 331.460 1.822 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001034775676 711049320 /nfs/dbraw/zinc/04/93/20/711049320.db2.gz FXUAEMCOYPMGLS-DTZQCDIJSA-N 2 1 349.479 1.798 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001003966458 711103800 /nfs/dbraw/zinc/10/38/00/711103800.db2.gz BZZWSSAFYUIWKX-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001003966458 711103803 /nfs/dbraw/zinc/10/38/03/711103803.db2.gz BZZWSSAFYUIWKX-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCCO2)CC1 ZINC001034794235 711109982 /nfs/dbraw/zinc/10/99/82/711109982.db2.gz CPFHDQJFLFBBHF-BRWVUGGUSA-N 2 1 334.464 1.778 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034794922 711112303 /nfs/dbraw/zinc/11/23/03/711112303.db2.gz PUTOOGRASIBQEC-JOCQHMNTSA-N 2 1 334.449 1.260 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2C)CC1 ZINC001034795485 711113732 /nfs/dbraw/zinc/11/37/32/711113732.db2.gz JNSLQTOXCLJBCH-BZUAXINKSA-N 2 1 348.495 1.207 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC001034792137 711118411 /nfs/dbraw/zinc/11/84/11/711118411.db2.gz FXTFXLARZSZTCX-KKUMJFAQSA-N 2 1 336.505 1.920 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001034793914 711125152 /nfs/dbraw/zinc/12/51/52/711125152.db2.gz VFUWCMJRUVULJX-SHTZXODSSA-N 2 1 345.451 1.020 20 0 EDADMP CCc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)nc(C)[nH+]1 ZINC001061363947 711138224 /nfs/dbraw/zinc/13/82/24/711138224.db2.gz ALCJDAUKEDSMRP-ZBFHGGJFSA-N 2 1 331.464 1.384 20 0 EDADMP CCc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)nc(C)[nH+]1 ZINC001061363947 711138228 /nfs/dbraw/zinc/13/82/28/711138228.db2.gz ALCJDAUKEDSMRP-ZBFHGGJFSA-N 2 1 331.464 1.384 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]Cc1ccccn1 ZINC001034959097 711433341 /nfs/dbraw/zinc/43/33/41/711433341.db2.gz RKHSUDPASDFQDE-IAGOWNOFSA-N 2 1 339.443 1.936 20 0 EDADMP COc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001034939446 711441783 /nfs/dbraw/zinc/44/17/83/711441783.db2.gz AOAUQXLYWRPKSK-DJIMGWMZSA-N 2 1 346.475 1.511 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)nc1Cl)C2 ZINC000922391429 711456085 /nfs/dbraw/zinc/45/60/85/711456085.db2.gz WHNNPUBKJUSFKH-KQTLUZQSSA-N 2 1 326.872 1.643 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3nc4ccccc4o3)CC2)C1 ZINC001004142715 711542656 /nfs/dbraw/zinc/54/26/56/711542656.db2.gz JPAJMLCPICCWED-AWEZNQCLSA-N 2 1 342.443 1.860 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3nc4ccccc4o3)CC2)C1 ZINC001004142715 711542657 /nfs/dbraw/zinc/54/26/57/711542657.db2.gz JPAJMLCPICCWED-AWEZNQCLSA-N 2 1 342.443 1.860 20 0 EDADMP COc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004149064 711563133 /nfs/dbraw/zinc/56/31/33/711563133.db2.gz DFHPQRXQTBYCNE-AWEZNQCLSA-N 2 1 349.450 1.867 20 0 EDADMP COc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004149064 711563136 /nfs/dbraw/zinc/56/31/36/711563136.db2.gz DFHPQRXQTBYCNE-AWEZNQCLSA-N 2 1 349.450 1.867 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001004159426 711584170 /nfs/dbraw/zinc/58/41/70/711584170.db2.gz AUXKGXYOXCXVBV-AWEZNQCLSA-N 2 1 342.390 1.196 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001033127906 711878659 /nfs/dbraw/zinc/87/86/59/711878659.db2.gz YHHISPSCHDLTSC-HOTGVXAUSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001033127906 711878667 /nfs/dbraw/zinc/87/86/67/711878667.db2.gz YHHISPSCHDLTSC-HOTGVXAUSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001033127906 711878669 /nfs/dbraw/zinc/87/86/69/711878669.db2.gz YHHISPSCHDLTSC-HOTGVXAUSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001033127906 711878672 /nfs/dbraw/zinc/87/86/72/711878672.db2.gz YHHISPSCHDLTSC-HOTGVXAUSA-N 2 1 334.464 1.890 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1)C1CC1 ZINC000946623884 711925334 /nfs/dbraw/zinc/92/53/34/711925334.db2.gz RWWALISPCDYLOW-GDAAHCPNSA-N 2 1 349.519 1.534 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)on1 ZINC001033141342 711944214 /nfs/dbraw/zinc/94/42/14/711944214.db2.gz DNPFJXURZBTKPY-SJORKVTESA-N 2 1 348.491 1.994 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)on1 ZINC001033141342 711944216 /nfs/dbraw/zinc/94/42/16/711944216.db2.gz DNPFJXURZBTKPY-SJORKVTESA-N 2 1 348.491 1.994 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)on1 ZINC001033141342 711944218 /nfs/dbraw/zinc/94/42/18/711944218.db2.gz DNPFJXURZBTKPY-SJORKVTESA-N 2 1 348.491 1.994 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)on1 ZINC001033141342 711944219 /nfs/dbraw/zinc/94/42/19/711944219.db2.gz DNPFJXURZBTKPY-SJORKVTESA-N 2 1 348.491 1.994 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccnn3C)C2)C1 ZINC001033143586 711952986 /nfs/dbraw/zinc/95/29/86/711952986.db2.gz IOSKBRGKVZLFSH-SJORKVTESA-N 2 1 347.507 1.431 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccnn3C)C2)C1 ZINC001033143586 711952987 /nfs/dbraw/zinc/95/29/87/711952987.db2.gz IOSKBRGKVZLFSH-SJORKVTESA-N 2 1 347.507 1.431 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccnn3C)C2)C1 ZINC001033143586 711952988 /nfs/dbraw/zinc/95/29/88/711952988.db2.gz IOSKBRGKVZLFSH-SJORKVTESA-N 2 1 347.507 1.431 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccnn3C)C2)C1 ZINC001033143586 711952990 /nfs/dbraw/zinc/95/29/90/711952990.db2.gz IOSKBRGKVZLFSH-SJORKVTESA-N 2 1 347.507 1.431 20 0 EDADMP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004548680 711959576 /nfs/dbraw/zinc/95/95/76/711959576.db2.gz UARAMHPNDKBGOC-AEFFLSMTSA-N 2 1 337.508 1.678 20 0 EDADMP COCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001004548680 711959578 /nfs/dbraw/zinc/95/95/78/711959578.db2.gz UARAMHPNDKBGOC-AEFFLSMTSA-N 2 1 337.508 1.678 20 0 EDADMP COCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001004548680 711959579 /nfs/dbraw/zinc/95/95/79/711959579.db2.gz UARAMHPNDKBGOC-AEFFLSMTSA-N 2 1 337.508 1.678 20 0 EDADMP O=C(N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1)[C@@]12CC[NH+](C1)CCC2 ZINC001004598749 712042805 /nfs/dbraw/zinc/04/28/05/712042805.db2.gz FOOODSKKMPVBHN-HKUYNNGSSA-N 2 1 335.492 1.168 20 0 EDADMP O=C(N1CCC([C@@H]2CCC[NH+]2CCO)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001004598749 712042806 /nfs/dbraw/zinc/04/28/06/712042806.db2.gz FOOODSKKMPVBHN-HKUYNNGSSA-N 2 1 335.492 1.168 20 0 EDADMP O=C(N1CCC([C@@H]2CCC[NH+]2CCO)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001004598749 712042808 /nfs/dbraw/zinc/04/28/08/712042808.db2.gz FOOODSKKMPVBHN-HKUYNNGSSA-N 2 1 335.492 1.168 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC3CC3)CC2)C1 ZINC001004618098 712078289 /nfs/dbraw/zinc/07/82/89/712078289.db2.gz BCWXHRBSARQJGX-MOPGFXCFSA-N 2 1 349.519 1.820 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC3CC3)CC2)C1 ZINC001004618098 712078291 /nfs/dbraw/zinc/07/82/91/712078291.db2.gz BCWXHRBSARQJGX-MOPGFXCFSA-N 2 1 349.519 1.820 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001004618098 712078292 /nfs/dbraw/zinc/07/82/92/712078292.db2.gz BCWXHRBSARQJGX-MOPGFXCFSA-N 2 1 349.519 1.820 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC3CC3)CC2)C1 ZINC001004618098 712078293 /nfs/dbraw/zinc/07/82/93/712078293.db2.gz BCWXHRBSARQJGX-MOPGFXCFSA-N 2 1 349.519 1.820 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCO)CC1 ZINC001004619862 712081055 /nfs/dbraw/zinc/08/10/55/712081055.db2.gz MTSKFMOPSRWVIQ-QZTJIDSGSA-N 2 1 337.508 1.556 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004619862 712081057 /nfs/dbraw/zinc/08/10/57/712081057.db2.gz MTSKFMOPSRWVIQ-QZTJIDSGSA-N 2 1 337.508 1.556 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004619862 712081058 /nfs/dbraw/zinc/08/10/58/712081058.db2.gz MTSKFMOPSRWVIQ-QZTJIDSGSA-N 2 1 337.508 1.556 20 0 EDADMP CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642276 712126213 /nfs/dbraw/zinc/12/62/13/712126213.db2.gz CFOXADXOSWHMCH-ZJPYXAASSA-N 2 1 337.508 1.532 20 0 EDADMP CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642276 712126215 /nfs/dbraw/zinc/12/62/15/712126215.db2.gz CFOXADXOSWHMCH-ZJPYXAASSA-N 2 1 337.508 1.532 20 0 EDADMP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642276 712126216 /nfs/dbraw/zinc/12/62/16/712126216.db2.gz CFOXADXOSWHMCH-ZJPYXAASSA-N 2 1 337.508 1.532 20 0 EDADMP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642276 712126218 /nfs/dbraw/zinc/12/62/18/712126218.db2.gz CFOXADXOSWHMCH-ZJPYXAASSA-N 2 1 337.508 1.532 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[NH+]21)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946642959 712130067 /nfs/dbraw/zinc/13/00/67/712130067.db2.gz XKOJHGYSGDSEFV-MHORFTMASA-N 2 1 335.492 1.166 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946642959 712130071 /nfs/dbraw/zinc/13/00/71/712130071.db2.gz XKOJHGYSGDSEFV-MHORFTMASA-N 2 1 335.492 1.166 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946642959 712130072 /nfs/dbraw/zinc/13/00/72/712130072.db2.gz XKOJHGYSGDSEFV-MHORFTMASA-N 2 1 335.492 1.166 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033152247 712147726 /nfs/dbraw/zinc/14/77/26/712147726.db2.gz NUOSBSBHBNQEKZ-IRXDYDNUSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033152247 712147727 /nfs/dbraw/zinc/14/77/27/712147727.db2.gz NUOSBSBHBNQEKZ-IRXDYDNUSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033152247 712147728 /nfs/dbraw/zinc/14/77/28/712147728.db2.gz NUOSBSBHBNQEKZ-IRXDYDNUSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033152247 712147729 /nfs/dbraw/zinc/14/77/29/712147729.db2.gz NUOSBSBHBNQEKZ-IRXDYDNUSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC000370536398 712330865 /nfs/dbraw/zinc/33/08/65/712330865.db2.gz SFJOAZQTHWQKFA-ROUUACIJSA-N 2 1 337.508 1.581 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457809605 282091238 /nfs/dbraw/zinc/09/12/38/282091238.db2.gz NJLDSDXRRSNEOL-UHFFFAOYSA-N 2 1 338.540 1.593 20 0 EDADMP CN(CCCN(C)C(=O)C1C[NH+](C2CCCCC2)C1)CC[NH+](C)C ZINC000457809605 282091239 /nfs/dbraw/zinc/09/12/39/282091239.db2.gz NJLDSDXRRSNEOL-UHFFFAOYSA-N 2 1 338.540 1.593 20 0 EDADMP Cc1noc([C@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n1 ZINC000052862488 214152621 /nfs/dbraw/zinc/15/26/21/214152621.db2.gz IBXZSXSOYZVQJH-AWEZNQCLSA-N 2 1 347.463 1.300 20 0 EDADMP Cc1noc([C@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n1 ZINC000052862488 214152623 /nfs/dbraw/zinc/15/26/23/214152623.db2.gz IBXZSXSOYZVQJH-AWEZNQCLSA-N 2 1 347.463 1.300 20 0 EDADMP C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000152286609 290640276 /nfs/dbraw/zinc/64/02/76/290640276.db2.gz LQZKQMJWOSNIRR-INMHGKMJSA-N 2 1 325.497 1.578 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000343477861 282221209 /nfs/dbraw/zinc/22/12/09/282221209.db2.gz OZPOUWWTRWVTJR-PKOBYXMFSA-N 2 1 337.508 1.726 20 0 EDADMP c1ccc(-n2nnnc2CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000329857365 539469609 /nfs/dbraw/zinc/46/96/09/539469609.db2.gz VHYNGJGAXVWRTF-INIZCTEOSA-N 2 1 326.448 1.623 20 0 EDADMP c1ccc(-n2nnnc2CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000329857365 539469615 /nfs/dbraw/zinc/46/96/15/539469615.db2.gz VHYNGJGAXVWRTF-INIZCTEOSA-N 2 1 326.448 1.623 20 0 EDADMP COc1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(OC)c1 ZINC000178674062 232364324 /nfs/dbraw/zinc/36/43/24/232364324.db2.gz SDRFICPHWHEZOC-AWEZNQCLSA-N 2 1 335.448 1.519 20 0 EDADMP Cc1cc(N2CCC([NH2+][C@@H](C(N)=O)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000178696010 232385610 /nfs/dbraw/zinc/38/56/10/232385610.db2.gz JDOWYBIKDRHGMM-GOSISDBHSA-N 2 1 339.443 1.878 20 0 EDADMP Cc1ncccc1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000560439135 306268948 /nfs/dbraw/zinc/26/89/48/306268948.db2.gz OOJVTPYECHKPPN-UHFFFAOYSA-N 2 1 325.416 1.718 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000333232558 539626158 /nfs/dbraw/zinc/62/61/58/539626158.db2.gz CIFVYIRIIKTAHP-LJIGWXMPSA-N 2 1 333.480 1.307 20 0 EDADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339274845 539704996 /nfs/dbraw/zinc/70/49/96/539704996.db2.gz JYNVFTKFWAGDKM-ZWKOTPCHSA-N 2 1 338.540 1.641 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339274845 539705000 /nfs/dbraw/zinc/70/50/00/539705000.db2.gz JYNVFTKFWAGDKM-ZWKOTPCHSA-N 2 1 338.540 1.641 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339274845 539705004 /nfs/dbraw/zinc/70/50/04/539705004.db2.gz JYNVFTKFWAGDKM-ZWKOTPCHSA-N 2 1 338.540 1.641 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@H]3CCC[C@H]3[NH3+])CC2)CC1 ZINC000366327729 282697711 /nfs/dbraw/zinc/69/77/11/282697711.db2.gz SVVOWDUVCRBFJA-ZWKOTPCHSA-N 3 1 336.524 1.426 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000353356154 539932903 /nfs/dbraw/zinc/93/29/03/539932903.db2.gz RJEZUPRTHSJYHO-CYBMUJFWSA-N 2 1 348.413 1.970 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000362174211 540004962 /nfs/dbraw/zinc/00/49/62/540004962.db2.gz VFLSAQYXGYYZOA-BDXSIMOUSA-N 2 1 327.513 1.120 20 0 EDADMP CCc1nn(C)cc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000180074031 540120120 /nfs/dbraw/zinc/12/01/20/540120120.db2.gz ULFWRHPRQLMYMA-UHFFFAOYSA-N 2 1 347.507 1.359 20 0 EDADMP C[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000264158093 283114335 /nfs/dbraw/zinc/11/43/35/283114335.db2.gz AVTXENFHSWVXIN-QAPCUYQASA-N 2 1 331.460 1.252 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000264158093 283114336 /nfs/dbraw/zinc/11/43/36/283114336.db2.gz AVTXENFHSWVXIN-QAPCUYQASA-N 2 1 331.460 1.252 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](C2CCCCC2)C1 ZINC000069110752 138197747 /nfs/dbraw/zinc/19/77/47/138197747.db2.gz DBLSMONYLGSWRH-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000069110752 138197749 /nfs/dbraw/zinc/19/77/49/138197749.db2.gz DBLSMONYLGSWRH-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000069110752 138197750 /nfs/dbraw/zinc/19/77/50/138197750.db2.gz DBLSMONYLGSWRH-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP Cn1cc(N2CC[C@@H]([NH+]3CCC(C[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000111218738 138307920 /nfs/dbraw/zinc/30/79/20/138307920.db2.gz WFTITSRKOOKSGH-QGZVFWFLSA-N 2 1 331.464 1.333 20 0 EDADMP CC[NH+]1CCN(C(=O)CN2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000133069722 138388044 /nfs/dbraw/zinc/38/80/44/138388044.db2.gz UMTHGHBAHSARBG-UHFFFAOYSA-N 2 1 347.459 1.226 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)NCC[NH+](C)C)CC2)oc1C ZINC000133665908 138396536 /nfs/dbraw/zinc/39/65/36/138396536.db2.gz BPIIEILAZIMDCJ-UHFFFAOYSA-N 2 1 337.468 1.364 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000563640674 306343508 /nfs/dbraw/zinc/34/35/08/306343508.db2.gz PQMVKLNQEBDSAX-OAGGEKHMSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000563640674 306343509 /nfs/dbraw/zinc/34/35/09/306343509.db2.gz PQMVKLNQEBDSAX-OAGGEKHMSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000563640674 306343510 /nfs/dbraw/zinc/34/35/10/306343510.db2.gz PQMVKLNQEBDSAX-OAGGEKHMSA-N 2 1 338.496 1.100 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@@H](O)Cc1ccccc1 ZINC000344134932 283260113 /nfs/dbraw/zinc/26/01/13/283260113.db2.gz RKIWDUOYGFYREL-FQEVSTJZSA-N 2 1 333.520 1.940 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H](N)c2cscn2)CCN1CCOC ZINC000563814936 306348382 /nfs/dbraw/zinc/34/83/82/306348382.db2.gz YOYHJRIIFPDAEA-GXTWGEPZSA-N 2 1 326.466 1.102 20 0 EDADMP C[C@@](O)(C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000564560882 306360796 /nfs/dbraw/zinc/36/07/96/306360796.db2.gz HEHRWLGACUTJKD-LSDHHAIUSA-N 2 1 332.366 1.656 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)Cn1cccn1 ZINC000564847347 306367177 /nfs/dbraw/zinc/36/71/77/306367177.db2.gz BDISLYKCSMMGBZ-HOTGVXAUSA-N 2 1 334.489 1.807 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Cn1cccn1 ZINC000564847347 306367178 /nfs/dbraw/zinc/36/71/78/306367178.db2.gz BDISLYKCSMMGBZ-HOTGVXAUSA-N 2 1 334.489 1.807 20 0 EDADMP COCCNC(=O)C1([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000414175129 304104499 /nfs/dbraw/zinc/10/44/99/304104499.db2.gz BQFOXHIHGPNERI-WMZOPIPTSA-N 2 1 345.487 1.782 20 0 EDADMP COCCNC(=O)C1([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000414175129 304104502 /nfs/dbraw/zinc/10/45/02/304104502.db2.gz BQFOXHIHGPNERI-WMZOPIPTSA-N 2 1 345.487 1.782 20 0 EDADMP CN(C)c1ncc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000414356680 304111179 /nfs/dbraw/zinc/11/11/79/304111179.db2.gz GCGYLIUOSRLCAX-LJQANCHMSA-N 2 1 343.475 1.213 20 0 EDADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000414698236 304129190 /nfs/dbraw/zinc/12/91/90/304129190.db2.gz ITQOYVORLYPDIY-IEBWSBKVSA-N 2 1 344.503 1.785 20 0 EDADMP Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@H](C)CO1 ZINC000414716578 304132220 /nfs/dbraw/zinc/13/22/20/304132220.db2.gz XAHCCZYPHDEESH-LMMKCTJWSA-N 2 1 345.487 1.954 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000414825501 304145221 /nfs/dbraw/zinc/14/52/21/304145221.db2.gz CIYWMBQKWLHTFP-UHFFFAOYSA-N 2 1 344.459 1.431 20 0 EDADMP O=C(COc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC1CC1 ZINC000414826068 304145370 /nfs/dbraw/zinc/14/53/70/304145370.db2.gz IDZVUGWDRSTDJO-JWTNVVGKSA-N 2 1 343.471 1.964 20 0 EDADMP CCOc1cc(C[NH2+]C[C@H]([NH3+])CC)ccc1O[C@H](C)C(=O)N(C)C ZINC000414987859 304148235 /nfs/dbraw/zinc/14/82/35/304148235.db2.gz ZGKJZGLMQQXYPE-UKRRQHHQSA-N 2 1 337.464 1.768 20 0 EDADMP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415007974 304150241 /nfs/dbraw/zinc/15/02/41/304150241.db2.gz VFHBMYDUVXGKRZ-HOCLYGCPSA-N 2 1 339.430 1.958 20 0 EDADMP c1cc(N2CCCC2)ncc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061859 304155439 /nfs/dbraw/zinc/15/54/39/304155439.db2.gz YWWGQHMUZBGEGK-UHFFFAOYSA-N 2 1 343.519 1.988 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058756 304155548 /nfs/dbraw/zinc/15/55/48/304155548.db2.gz WQPKYQGTYVRXTB-FZKQIMNGSA-N 2 1 336.480 1.868 20 0 EDADMP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)oc1C ZINC000415134278 304162469 /nfs/dbraw/zinc/16/24/69/304162469.db2.gz VXCRDQDPRPNMJX-CYBMUJFWSA-N 2 1 333.392 1.262 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)oc1C ZINC000415134278 304162471 /nfs/dbraw/zinc/16/24/71/304162471.db2.gz VXCRDQDPRPNMJX-CYBMUJFWSA-N 2 1 333.392 1.262 20 0 EDADMP COc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1OC ZINC000415136286 304162953 /nfs/dbraw/zinc/16/29/53/304162953.db2.gz RIPBISNYJCFBSK-CVEARBPZSA-N 2 1 332.444 1.904 20 0 EDADMP CN(CC[NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415135632 304163208 /nfs/dbraw/zinc/16/32/08/304163208.db2.gz BASLOQXRCSBNPZ-UHFFFAOYSA-N 2 1 345.447 1.396 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000415143312 304164063 /nfs/dbraw/zinc/16/40/63/304164063.db2.gz BTGMHQWKIOZASN-UONOGXRCSA-N 2 1 344.459 1.212 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000236660168 139027862 /nfs/dbraw/zinc/02/78/62/139027862.db2.gz XOUKFWJDAKPFGX-SFHVURJKSA-N 2 1 332.492 1.537 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000415162752 304168514 /nfs/dbraw/zinc/16/85/14/304168514.db2.gz AABICAUEVMEBPM-INIZCTEOSA-N 2 1 332.448 1.143 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000415162752 304168515 /nfs/dbraw/zinc/16/85/15/304168515.db2.gz AABICAUEVMEBPM-INIZCTEOSA-N 2 1 332.448 1.143 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2F)CC1 ZINC000236997048 139037473 /nfs/dbraw/zinc/03/74/73/139037473.db2.gz MFHSHQOZJXYQEG-OAHLLOKOSA-N 2 1 334.439 1.449 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000237035910 139038694 /nfs/dbraw/zinc/03/86/94/139038694.db2.gz NTKMQLLDLPOETM-FUHWJXTLSA-N 2 1 332.492 1.640 20 0 EDADMP COCC[NH2+]CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000237200331 139043900 /nfs/dbraw/zinc/04/39/00/139043900.db2.gz LERITOPLPJLHLP-MRXNPFEDSA-N 2 1 333.476 1.771 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000237304063 139047204 /nfs/dbraw/zinc/04/72/04/139047204.db2.gz YCQMIRNZHFCAJQ-MRXNPFEDSA-N 2 1 347.459 1.394 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000237304063 139047205 /nfs/dbraw/zinc/04/72/05/139047205.db2.gz YCQMIRNZHFCAJQ-MRXNPFEDSA-N 2 1 347.459 1.394 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000497030646 284350052 /nfs/dbraw/zinc/35/00/52/284350052.db2.gz BSBVJNJTUIKIRI-CAOSSQGBSA-N 2 1 343.512 1.923 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)c2csc(C[NH3+])n2)C[C@@H](C)O1 ZINC000237502961 139052666 /nfs/dbraw/zinc/05/26/66/139052666.db2.gz KPOQNTZJCCVPIN-VXGBXAGGSA-N 2 1 326.466 1.221 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000415193632 304173596 /nfs/dbraw/zinc/17/35/96/304173596.db2.gz MJQQEOFCAMMIBB-DYVFJYSZSA-N 2 1 344.459 1.778 20 0 EDADMP C[C@@]1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000237580544 139054635 /nfs/dbraw/zinc/05/46/35/139054635.db2.gz YBHMSHUGDSSWKE-LJQANCHMSA-N 2 1 348.466 1.454 20 0 EDADMP C[C@@](C[NH3+])(NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000237625323 139056151 /nfs/dbraw/zinc/05/61/51/139056151.db2.gz PAUYJRLQYUDGLK-IBGZPJMESA-N 2 1 330.476 1.048 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000111866208 220212886 /nfs/dbraw/zinc/21/28/86/220212886.db2.gz PYKSDXKOVNOHIL-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP Cn1cc(N2CC[C@H](N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)cn1 ZINC000246433600 139108100 /nfs/dbraw/zinc/10/81/00/139108100.db2.gz CTEGMQCGHGGNCW-JLSDUUJJSA-N 2 1 343.475 1.474 20 0 EDADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1)C1CC1 ZINC000415316746 304193236 /nfs/dbraw/zinc/19/32/36/304193236.db2.gz OTKRUBBEYCXKIA-INIZCTEOSA-N 2 1 344.459 1.130 20 0 EDADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCC[NH2+]CC2)c1)C1CC1 ZINC000415329224 304195954 /nfs/dbraw/zinc/19/59/54/304195954.db2.gz YAMHJCJHHYTIKC-UHFFFAOYSA-N 2 1 344.459 1.084 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]3CCC[C@H]32)C1 ZINC000247694592 139154053 /nfs/dbraw/zinc/15/40/53/139154053.db2.gz WMRHDELWPDOYEU-RCCFBDPRSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H]3CCC[C@H]32)C1 ZINC000247694592 139154054 /nfs/dbraw/zinc/15/40/54/139154054.db2.gz WMRHDELWPDOYEU-RCCFBDPRSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H]3CCC[C@H]32)C1 ZINC000247694592 139154055 /nfs/dbraw/zinc/15/40/55/139154055.db2.gz WMRHDELWPDOYEU-RCCFBDPRSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC1([NH+](C)C)CCOCC1 ZINC000247999885 139156904 /nfs/dbraw/zinc/15/69/04/139156904.db2.gz KGVJAPGXXIHLCZ-IEBWSBKVSA-N 2 1 346.519 1.992 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC1([NH+](C)C)CCOCC1 ZINC000247999885 139156905 /nfs/dbraw/zinc/15/69/05/139156905.db2.gz KGVJAPGXXIHLCZ-IEBWSBKVSA-N 2 1 346.519 1.992 20 0 EDADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCN1C(=O)CNC1=O ZINC000092821266 218171957 /nfs/dbraw/zinc/17/19/57/218171957.db2.gz CDEJHUVGTLKNCD-UHFFFAOYSA-N 2 1 345.447 1.172 20 0 EDADMP CC[N@H+](CCc1nccs1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093764608 218246863 /nfs/dbraw/zinc/24/68/63/218246863.db2.gz TUOWVYGAYOGAEV-UHFFFAOYSA-N 2 1 346.504 1.750 20 0 EDADMP CC[N@@H+](CCc1nccs1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093764608 218246866 /nfs/dbraw/zinc/24/68/66/218246866.db2.gz TUOWVYGAYOGAEV-UHFFFAOYSA-N 2 1 346.504 1.750 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NC1CC[NH+](C3CC3)CC1)CC[NH2+]CC2 ZINC000424284708 296294616 /nfs/dbraw/zinc/29/46/16/296294616.db2.gz DRTUIMUTKFAXRE-OAHLLOKOSA-N 3 1 334.508 1.193 20 0 EDADMP CCn1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c2ccccc21 ZINC000261679515 139216862 /nfs/dbraw/zinc/21/68/62/139216862.db2.gz ADQCVRFVHZRVRK-HNNXBMFYSA-N 2 1 343.475 1.876 20 0 EDADMP CCn1nc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c2ccccc21 ZINC000261679515 139216863 /nfs/dbraw/zinc/21/68/63/139216863.db2.gz ADQCVRFVHZRVRK-HNNXBMFYSA-N 2 1 343.475 1.876 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000261675552 139216455 /nfs/dbraw/zinc/21/64/55/139216455.db2.gz HKJSQTPEOYWKEL-INMHGKMJSA-N 2 1 333.501 1.972 20 0 EDADMP COc1cccc(C(=O)NCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261864397 139232306 /nfs/dbraw/zinc/23/23/06/139232306.db2.gz CNQGZSPJJJMIRT-RCCFBDPRSA-N 2 1 347.459 1.172 20 0 EDADMP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cn1 ZINC000261938485 139238688 /nfs/dbraw/zinc/23/86/88/139238688.db2.gz MOVUFPNYLXSAOL-DZOHQFGASA-N 2 1 333.480 1.136 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000261968627 139240700 /nfs/dbraw/zinc/24/07/00/139240700.db2.gz IAJOULZCSYESNE-QGZVFWFLSA-N 2 1 342.447 1.087 20 0 EDADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000262011192 139243643 /nfs/dbraw/zinc/24/36/43/139243643.db2.gz UEYPSVTXUQWSAW-UHFFFAOYSA-N 2 1 346.475 1.648 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000414878474 250875317 /nfs/dbraw/zinc/87/53/17/250875317.db2.gz NRJMZWYAWOTOJO-HUUCEWRRSA-N 2 1 346.475 1.881 20 0 EDADMP CN1c2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2CCC1=O ZINC000262091007 139250286 /nfs/dbraw/zinc/25/02/86/139250286.db2.gz GZYDPMMOZOFIFH-QGZVFWFLSA-N 2 1 328.460 1.075 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000262136234 139253923 /nfs/dbraw/zinc/25/39/23/139253923.db2.gz YTPNIJHOKJYGDI-KRWDZBQOSA-N 2 1 345.491 1.501 20 0 EDADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)C1(CC)CC ZINC000262154358 139255650 /nfs/dbraw/zinc/25/56/50/139255650.db2.gz PKSNNWZHLJMOQA-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP CN(C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)C1CC([NH3+])C1 ZINC000415791508 251027925 /nfs/dbraw/zinc/02/79/25/251027925.db2.gz QOTKZQOPUFZDFK-UHFFFAOYSA-N 2 1 338.839 1.288 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415776830 251025846 /nfs/dbraw/zinc/02/58/46/251025846.db2.gz BYBTYBIVDLVVKO-STQMWFEESA-N 2 1 332.448 1.114 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000416788633 251110027 /nfs/dbraw/zinc/11/00/27/251110027.db2.gz IUCKDMLRYFOBPZ-MRXNPFEDSA-N 2 1 338.496 1.128 20 0 EDADMP CC[C@@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417008348 251128680 /nfs/dbraw/zinc/12/86/80/251128680.db2.gz IMINDCBLCQHOOR-ROUUACIJSA-N 2 1 346.475 1.192 20 0 EDADMP C[C@H]1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000417012557 251131026 /nfs/dbraw/zinc/13/10/26/251131026.db2.gz XDSSTHBYZSHOSR-YJBOKZPZSA-N 2 1 330.476 1.671 20 0 EDADMP CC(C)(CNC(=O)N1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000417087923 251141693 /nfs/dbraw/zinc/14/16/93/251141693.db2.gz IRHOMZAYRPSQRL-UHFFFAOYSA-N 2 1 330.476 1.828 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417173224 251145505 /nfs/dbraw/zinc/14/55/05/251145505.db2.gz LENVSEIBOHBQAC-LBPRGKRZSA-N 2 1 340.418 1.823 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2)C1 ZINC000262357632 139272920 /nfs/dbraw/zinc/27/29/20/139272920.db2.gz IDABESTZWXTBAK-JLSDUUJJSA-N 2 1 331.460 1.258 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)N[C@@H](C)C[NH3+])CC2)cs1 ZINC000417602798 251203302 /nfs/dbraw/zinc/20/33/02/251203302.db2.gz WLVJSRQMUDDIHJ-LBPRGKRZSA-N 2 1 339.509 1.564 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000417730524 251247492 /nfs/dbraw/zinc/24/74/92/251247492.db2.gz MRSODCHLWNWRCO-LZLYRXPVSA-N 2 1 345.491 1.186 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000417753050 251255990 /nfs/dbraw/zinc/25/59/90/251255990.db2.gz NVIGWSJWKRWQIB-JKSUJKDBSA-N 2 1 347.507 1.389 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417813892 251280744 /nfs/dbraw/zinc/28/07/44/251280744.db2.gz AMTBHWDDTPBSHW-OQIJWPOYSA-N 2 1 342.487 1.758 20 0 EDADMP [NH3+]CC[C@H](NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)F ZINC000418109618 251324271 /nfs/dbraw/zinc/32/42/71/251324271.db2.gz VAKRDGQTKRJWBR-CABCVRRESA-N 2 1 340.418 1.790 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000418686301 251386378 /nfs/dbraw/zinc/38/63/78/251386378.db2.gz ORLUOBBSQGWZFT-XOYOTBSWSA-N 2 1 330.476 1.866 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NCC[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000262592153 139288933 /nfs/dbraw/zinc/28/89/33/139288933.db2.gz RYWJBSCWIGMEAH-SJLPKXTDSA-N 2 1 330.476 1.091 20 0 EDADMP [NH3+][C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000262584365 139288346 /nfs/dbraw/zinc/28/83/46/139288346.db2.gz NSQPVFDPDVRDBK-MOPGFXCFSA-N 2 1 339.439 1.704 20 0 EDADMP [NH3+][C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000262584365 139288347 /nfs/dbraw/zinc/28/83/47/139288347.db2.gz NSQPVFDPDVRDBK-MOPGFXCFSA-N 2 1 339.439 1.704 20 0 EDADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420244408 251655050 /nfs/dbraw/zinc/65/50/50/251655050.db2.gz DFJXCOIAEPSARK-CJNGLKHVSA-N 2 1 343.427 1.442 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000262889540 139310683 /nfs/dbraw/zinc/31/06/83/139310683.db2.gz OLSCHVJJASQJHH-RVKKMQEKSA-N 2 1 349.475 1.276 20 0 EDADMP CCN(C(=O)C(=O)N(C)CC[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000423178154 252041883 /nfs/dbraw/zinc/04/18/83/252041883.db2.gz KJWILMDWWPJIEG-WBVHZDCISA-N 2 1 346.475 1.088 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]([NH3+])C3CCC3)cc2)C1 ZINC000423357749 252052720 /nfs/dbraw/zinc/05/27/20/252052720.db2.gz ANZCJFMTBCJPHA-NVXWUHKLSA-N 2 1 344.459 1.450 20 0 EDADMP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000422909489 252019684 /nfs/dbraw/zinc/01/96/84/252019684.db2.gz GCYFSWPPWKXAMQ-MSOLQXFVSA-N 2 1 333.476 1.910 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000423855283 252092179 /nfs/dbraw/zinc/09/21/79/252092179.db2.gz VXMCJIKNKOIJMR-GGPKGHCWSA-N 2 1 343.471 1.393 20 0 EDADMP CC[C@@H]1CN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000423865475 252095111 /nfs/dbraw/zinc/09/51/11/252095111.db2.gz DFNNEYRMTHAMSY-DAYGRLMNSA-N 2 1 331.460 1.889 20 0 EDADMP C[C@@H](CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000423803247 252083410 /nfs/dbraw/zinc/08/34/10/252083410.db2.gz WGSCCLOJQMZDIL-INIZCTEOSA-N 2 1 339.524 1.829 20 0 EDADMP [NH3+][C@H]1CCc2nc(NC(=O)c3c[nH]nc3[C@@H]3CCC[NH2+]C3)sc2C1 ZINC000424179376 252155290 /nfs/dbraw/zinc/15/52/90/252155290.db2.gz SVKXPJTYAJVSLG-ZJUUUORDSA-N 2 1 346.460 1.402 20 0 EDADMP O=C(C[C@H]1C[NH2+]CCO1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424219142 252167213 /nfs/dbraw/zinc/16/72/13/252167213.db2.gz ZPJDWDFDONLTIT-OKZBNKHCSA-N 2 1 329.444 1.098 20 0 EDADMP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[N@H+]1CCC[C@@H](C)C1 ZINC000424134831 252135942 /nfs/dbraw/zinc/13/59/42/252135942.db2.gz NYOAUEAHTOKLEA-KFWWJZLASA-N 2 1 334.468 1.053 20 0 EDADMP Cc1ccc2nc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc(=O)n2c1 ZINC000424298152 252191597 /nfs/dbraw/zinc/19/15/97/252191597.db2.gz TZJIZYHXTOHYKU-OAHLLOKOSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424383778 252204414 /nfs/dbraw/zinc/20/44/14/252204414.db2.gz UMLVENZYRGLIHR-HNNXBMFYSA-N 2 1 347.507 1.529 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)CCC[N@H+](C)CCN(C)C)c1 ZINC000424424904 252222901 /nfs/dbraw/zinc/22/29/01/252222901.db2.gz IVLCJVCEUCVGMB-UHFFFAOYSA-N 2 1 335.496 1.801 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)CCCN(C)CC[NH+](C)C)c1 ZINC000424424904 252222904 /nfs/dbraw/zinc/22/29/04/252222904.db2.gz IVLCJVCEUCVGMB-UHFFFAOYSA-N 2 1 335.496 1.801 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000424428905 252226352 /nfs/dbraw/zinc/22/63/52/252226352.db2.gz VISFGBNNJHICMT-HNNXBMFYSA-N 2 1 332.448 1.640 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000345020868 285023630 /nfs/dbraw/zinc/02/36/30/285023630.db2.gz OICBGXQNDIPLRJ-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263128088 139323857 /nfs/dbraw/zinc/32/38/57/139323857.db2.gz BKPLRKZESRXKQM-OCCSQVGLSA-N 2 1 328.840 1.807 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@@H]2C)CC1 ZINC000488728099 255051143 /nfs/dbraw/zinc/05/11/43/255051143.db2.gz XQWFMEVRGAIBFW-ZIFCJYIRSA-N 2 1 345.487 1.595 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@@H]2C)CC1 ZINC000488728099 255051145 /nfs/dbraw/zinc/05/11/45/255051145.db2.gz XQWFMEVRGAIBFW-ZIFCJYIRSA-N 2 1 345.487 1.595 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CSC1(C)C ZINC000338807707 285278278 /nfs/dbraw/zinc/27/82/78/285278278.db2.gz BPNLUNBYUSGJEP-GJZGRUSLSA-N 2 1 342.553 1.938 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CCC[NH3+] ZINC000418701605 285278643 /nfs/dbraw/zinc/27/86/43/285278643.db2.gz KHGGLMVWCNORNS-CVEARBPZSA-N 3 1 327.517 1.171 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc(C)n1 ZINC000347947337 285281160 /nfs/dbraw/zinc/28/11/60/285281160.db2.gz SMXALHFEMZOKST-INIZCTEOSA-N 2 1 333.480 1.582 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)C1CC1 ZINC000118103084 221117393 /nfs/dbraw/zinc/11/73/93/221117393.db2.gz HXTYJCSROUGDHA-MRXNPFEDSA-N 2 1 330.432 1.027 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)C1CC1 ZINC000118103084 221117394 /nfs/dbraw/zinc/11/73/94/221117394.db2.gz HXTYJCSROUGDHA-MRXNPFEDSA-N 2 1 330.432 1.027 20 0 EDADMP c1nc2n(n1)C[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000118975579 221214922 /nfs/dbraw/zinc/21/49/22/221214922.db2.gz PDFASYCTQFCITJ-GOSISDBHSA-N 2 1 325.460 1.890 20 0 EDADMP CCc1noc(C)c1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000119081243 221239494 /nfs/dbraw/zinc/23/94/94/221239494.db2.gz CDJPTCHKMQSMSW-UHFFFAOYSA-N 2 1 348.491 1.922 20 0 EDADMP O[C@@H]1C[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+](Cc2ccccc2)C1 ZINC000305773678 285334340 /nfs/dbraw/zinc/33/43/40/285334340.db2.gz XMZDURYVJXGYTD-IYWMVGAKSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@@H]1C[C@H](CN[C@@H]2CC[NH+]3CCC[C@H]3C2)[N@H+](Cc2ccccc2)C1 ZINC000305773678 285334344 /nfs/dbraw/zinc/33/43/44/285334344.db2.gz XMZDURYVJXGYTD-IYWMVGAKSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@@H]1C[C@H](CN[C@@H]2CC[NH+]3CCC[C@H]3C2)[N@@H+](Cc2ccccc2)C1 ZINC000305773678 285334347 /nfs/dbraw/zinc/33/43/47/285334347.db2.gz XMZDURYVJXGYTD-IYWMVGAKSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)N(Cc2ccccc2)C1 ZINC000305773678 285334350 /nfs/dbraw/zinc/33/43/50/285334350.db2.gz XMZDURYVJXGYTD-IYWMVGAKSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)N(Cc2ccccc2)C1 ZINC000305773678 285334351 /nfs/dbraw/zinc/33/43/51/285334351.db2.gz XMZDURYVJXGYTD-IYWMVGAKSA-N 2 1 329.488 1.838 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc3c2OCCO3)CC1 ZINC000264272424 139392260 /nfs/dbraw/zinc/39/22/60/139392260.db2.gz AGEIOMYZAQMHQY-OAHLLOKOSA-N 2 1 334.460 1.982 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264324108 139397302 /nfs/dbraw/zinc/39/73/02/139397302.db2.gz AJHIXROCEUKGRH-MOPGFXCFSA-N 2 1 344.503 1.528 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CCCC[NH2+]C3)c2C1 ZINC000415863883 304282133 /nfs/dbraw/zinc/28/21/33/304282133.db2.gz HGHIEAUQXPRRGD-HNNXBMFYSA-N 2 1 344.459 1.609 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CCCC[NH2+]C3)c2C1 ZINC000415863883 304282135 /nfs/dbraw/zinc/28/21/35/304282135.db2.gz HGHIEAUQXPRRGD-HNNXBMFYSA-N 2 1 344.459 1.609 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCCO1 ZINC000416053660 304287467 /nfs/dbraw/zinc/28/74/67/304287467.db2.gz VWNQSQFZPWYAAG-RYUDHWBXSA-N 2 1 340.390 1.066 20 0 EDADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416213584 304296368 /nfs/dbraw/zinc/29/63/68/304296368.db2.gz HTZZVJFDZOICOT-FUHWJXTLSA-N 2 1 333.476 1.595 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000331342843 141009595 /nfs/dbraw/zinc/00/95/95/141009595.db2.gz KUNLHATZUQUHIE-CHWSQXEVSA-N 2 1 345.896 1.950 20 0 EDADMP Cn1c2ccccc2nc1C(C)(C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000331400120 141017191 /nfs/dbraw/zinc/01/71/91/141017191.db2.gz LMQAARVZOMODHC-UHFFFAOYSA-N 2 1 343.475 1.562 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000332536170 141198536 /nfs/dbraw/zinc/19/85/36/141198536.db2.gz IYTNEMGGVFWWNK-HUUCEWRRSA-N 2 1 347.463 1.405 20 0 EDADMP CC1CC[NH+](CCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000333032862 141253005 /nfs/dbraw/zinc/25/30/05/141253005.db2.gz HWGOJVVGNHJIES-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP [NH3+]C1(CNC(=O)N2CC[NH+](C3CC3)CC2)C2CC3CC(C2)CC1C3 ZINC000333493266 141326107 /nfs/dbraw/zinc/32/61/07/141326107.db2.gz GYMWFNHWESHGJQ-UHFFFAOYSA-N 2 1 332.492 1.630 20 0 EDADMP [NH3+]C[C@@H](C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccc(F)cc1 ZINC000333582453 141340395 /nfs/dbraw/zinc/34/03/95/141340395.db2.gz OBBZFFSPNHPWQJ-JQHSSLGASA-N 3 1 333.451 1.568 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000333595756 141342374 /nfs/dbraw/zinc/34/23/74/141342374.db2.gz OZHUFNVKVKBQPJ-WBMJQRKESA-N 2 1 346.479 1.502 20 0 EDADMP Cn1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333653098 141350935 /nfs/dbraw/zinc/35/09/35/141350935.db2.gz ZIPGUIZBKAVFDJ-INMHGKMJSA-N 2 1 345.491 1.443 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000333789243 141382195 /nfs/dbraw/zinc/38/21/95/141382195.db2.gz FXGZNBSICHUVSA-HNNXBMFYSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC[N@H+]1C ZINC000343823107 142893590 /nfs/dbraw/zinc/89/35/90/142893590.db2.gz SZWWIACZCNBNGC-INMHGKMJSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000345209061 143064648 /nfs/dbraw/zinc/06/46/48/143064648.db2.gz KKWVOZCMTYZLND-AEFFLSMTSA-N 2 1 345.487 1.327 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCC[N@H+]1C ZINC000345324008 143077932 /nfs/dbraw/zinc/07/79/32/143077932.db2.gz QKZQGWNJILSEBM-SJORKVTESA-N 2 1 345.491 1.193 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000345801831 143135109 /nfs/dbraw/zinc/13/51/09/143135109.db2.gz ZDHQEZDQLJPZPZ-YLFCFFPRSA-N 2 1 338.496 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000345801831 143135110 /nfs/dbraw/zinc/13/51/10/143135110.db2.gz ZDHQEZDQLJPZPZ-YLFCFFPRSA-N 2 1 338.496 1.221 20 0 EDADMP C[NH+](C)CCOCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000345924042 143147724 /nfs/dbraw/zinc/14/77/24/143147724.db2.gz ARKJFQRVZGLTKM-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC[C@@H]([NH3+])C2)CC1 ZINC000346086993 143166140 /nfs/dbraw/zinc/16/61/40/143166140.db2.gz UZQUFBRFMGFKNR-LJQANCHMSA-N 2 1 344.503 1.452 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000346395206 143200280 /nfs/dbraw/zinc/20/02/80/143200280.db2.gz RGFQVNVQZNDKSL-IXDOHACOSA-N 2 1 340.512 1.467 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC000346395206 143200281 /nfs/dbraw/zinc/20/02/81/143200281.db2.gz RGFQVNVQZNDKSL-IXDOHACOSA-N 2 1 340.512 1.467 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC000346395206 143200282 /nfs/dbraw/zinc/20/02/82/143200282.db2.gz RGFQVNVQZNDKSL-IXDOHACOSA-N 2 1 340.512 1.467 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000346602000 143221088 /nfs/dbraw/zinc/22/10/88/143221088.db2.gz HXVXRHUXZJHTGC-SQNIBIBYSA-N 2 1 327.513 1.170 20 0 EDADMP Cn1nccc1[C@@H]1[C@@H]([NH2+]CCC[NH+]2CCCCC2)CC(=O)N1C1CC1 ZINC000346701569 143234325 /nfs/dbraw/zinc/23/43/25/143234325.db2.gz BGWFJHKJZDTBKZ-LPHOPBHVSA-N 2 1 345.491 1.690 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCCC2CC[NH+](C)CC2)[N@@H+](C)C1 ZINC000347044902 143275823 /nfs/dbraw/zinc/27/58/23/143275823.db2.gz AEEHRKUHFRNQGJ-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000347065371 143278225 /nfs/dbraw/zinc/27/82/25/143278225.db2.gz KTAFUHXHYZYZOF-INIZCTEOSA-N 2 1 341.459 1.468 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000347068004 143278400 /nfs/dbraw/zinc/27/84/00/143278400.db2.gz LCPRQTMENMRYKC-CABCVRRESA-N 2 1 328.501 1.373 20 0 EDADMP Cc1ccn2c(C[N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cnc2c1 ZINC000347176748 143291347 /nfs/dbraw/zinc/29/13/47/143291347.db2.gz RBFJWINXSMFEAA-MRXNPFEDSA-N 2 1 341.459 1.287 20 0 EDADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000347759509 143359275 /nfs/dbraw/zinc/35/92/75/143359275.db2.gz JIFHXWMQOFMMNI-JKSUJKDBSA-N 2 1 340.512 1.166 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000416788017 304349175 /nfs/dbraw/zinc/34/91/75/304349175.db2.gz HKNTWRFJUNXQDZ-IAGOWNOFSA-N 2 1 338.496 1.272 20 0 EDADMP COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352700664 149122544 /nfs/dbraw/zinc/12/25/44/149122544.db2.gz VOXCKAHNEFQKCL-RDJZCZTQSA-N 2 1 347.459 1.106 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000352748156 149148600 /nfs/dbraw/zinc/14/86/00/149148600.db2.gz IUYAPMWVMPPXPL-UHFFFAOYSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000352778078 149162394 /nfs/dbraw/zinc/16/23/94/149162394.db2.gz FGNSROJDIQCGNE-IRXDYDNUSA-N 2 1 345.491 1.145 20 0 EDADMP CCC[C@@]1([NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC000352815635 149178672 /nfs/dbraw/zinc/17/86/72/149178672.db2.gz KXCLNLSTZBDCRP-FUHWJXTLSA-N 2 1 341.496 1.008 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(CCF)c1 ZINC000352864429 149194221 /nfs/dbraw/zinc/19/42/21/149194221.db2.gz DSNZXMHACJFCJW-MRXNPFEDSA-N 2 1 339.459 1.341 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCc2[nH+]ccn21 ZINC000353078502 149277408 /nfs/dbraw/zinc/27/74/08/149277408.db2.gz DDQRIGZNWZKCEP-QGZVFWFLSA-N 2 1 339.443 1.936 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000353267522 149345743 /nfs/dbraw/zinc/34/57/43/149345743.db2.gz USGHCWBPALKNQC-OAHLLOKOSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[C@@H]1CN(c2ccnc(N3CCOCC3)n2)CC[N@H+]1CCOC ZINC000353265832 149345954 /nfs/dbraw/zinc/34/59/54/149345954.db2.gz MXJBYRGSXDCDGV-MRXNPFEDSA-N 2 1 349.479 1.250 20 0 EDADMP [NH3+]CCCOC1CC[NH+](CC(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC000573564423 306624482 /nfs/dbraw/zinc/62/44/82/306624482.db2.gz ICTSYABGKCMFAM-UHFFFAOYSA-N 2 1 349.519 1.757 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCN1C1CC[NH+](C)CC1 ZINC000355111304 150122137 /nfs/dbraw/zinc/12/21/37/150122137.db2.gz NOURNPBAGWZJDO-HZPDHXFCSA-N 2 1 349.523 1.033 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000355546938 150308918 /nfs/dbraw/zinc/30/89/18/150308918.db2.gz QVRXIRYFUMGZTR-GFCCVEGCSA-N 2 1 332.452 1.683 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000355546938 150308921 /nfs/dbraw/zinc/30/89/21/150308921.db2.gz QVRXIRYFUMGZTR-GFCCVEGCSA-N 2 1 332.452 1.683 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)[C@H](C[NH3+])C1 ZINC000417042659 304365131 /nfs/dbraw/zinc/36/51/31/304365131.db2.gz LUUKIMNNGKEBPI-YESZJQIVSA-N 2 1 340.512 1.789 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417049545 304366892 /nfs/dbraw/zinc/36/68/92/304366892.db2.gz UKSCXSDDVHRKON-JKSUJKDBSA-N 2 1 326.485 1.319 20 0 EDADMP C[C@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000357820287 151161765 /nfs/dbraw/zinc/16/17/65/151161765.db2.gz ZOSJXYXHHGKJPY-XHSDSOJGSA-N 2 1 338.496 1.435 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000357820287 151161767 /nfs/dbraw/zinc/16/17/67/151161767.db2.gz ZOSJXYXHHGKJPY-XHSDSOJGSA-N 2 1 338.496 1.435 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000357820287 151161769 /nfs/dbraw/zinc/16/17/69/151161769.db2.gz ZOSJXYXHHGKJPY-XHSDSOJGSA-N 2 1 338.496 1.435 20 0 EDADMP C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)C(C)(C)C[NH+](C)C ZINC000357858816 151174675 /nfs/dbraw/zinc/17/46/75/151174675.db2.gz FTNJRQOMMFKFRI-BZUAXINKSA-N 2 1 340.512 1.467 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000357980018 151220862 /nfs/dbraw/zinc/22/08/62/151220862.db2.gz URSWNXMTFKBGLN-OAGGEKHMSA-N 2 1 326.485 1.221 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000358092154 151267176 /nfs/dbraw/zinc/26/71/76/151267176.db2.gz GNNVNNJLCZMTGI-JKSUJKDBSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000358092154 151267177 /nfs/dbraw/zinc/26/71/77/151267177.db2.gz GNNVNNJLCZMTGI-JKSUJKDBSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000358092154 151267180 /nfs/dbraw/zinc/26/71/80/151267180.db2.gz GNNVNNJLCZMTGI-JKSUJKDBSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000358130683 151283248 /nfs/dbraw/zinc/28/32/48/151283248.db2.gz VJJOQIPGJFQABS-MRXNPFEDSA-N 2 1 341.544 1.432 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000358130683 151283249 /nfs/dbraw/zinc/28/32/49/151283249.db2.gz VJJOQIPGJFQABS-MRXNPFEDSA-N 2 1 341.544 1.432 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000358130683 151283250 /nfs/dbraw/zinc/28/32/50/151283250.db2.gz VJJOQIPGJFQABS-MRXNPFEDSA-N 2 1 341.544 1.432 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000358250190 151317047 /nfs/dbraw/zinc/31/70/47/151317047.db2.gz LBSXBTWDUNKCRF-CVEARBPZSA-N 2 1 339.277 1.963 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000358250190 151317050 /nfs/dbraw/zinc/31/70/50/151317050.db2.gz LBSXBTWDUNKCRF-CVEARBPZSA-N 2 1 339.277 1.963 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C ZINC000360796429 152208278 /nfs/dbraw/zinc/20/82/78/152208278.db2.gz GKMXSDOUTLHIQX-XHSDSOJGSA-N 2 1 328.501 1.203 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000370135705 155342884 /nfs/dbraw/zinc/34/28/84/155342884.db2.gz IYACCQBAWRCGDV-AVEIZBFRSA-N 2 1 334.508 1.985 20 0 EDADMP COC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361333329 152363869 /nfs/dbraw/zinc/36/38/69/152363869.db2.gz BJUJHHMUZVSZMS-IBGZPJMESA-N 2 1 347.503 1.776 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000363865908 153079842 /nfs/dbraw/zinc/07/98/42/153079842.db2.gz VQCMYEHBGYRSMO-WBVHZDCISA-N 2 1 335.492 1.620 20 0 EDADMP CC1CCC(O)(C[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)CC1 ZINC000364330704 153207976 /nfs/dbraw/zinc/20/79/76/153207976.db2.gz WBJXQLOJNYUVRK-UHFFFAOYSA-N 2 1 339.524 1.268 20 0 EDADMP C[C@@H](NC(=O)C1([NH+](C)C)Cc2ccccc2C1)C1=CC[N@@H+](C)CC1 ZINC000364689632 153303809 /nfs/dbraw/zinc/30/38/09/153303809.db2.gz YBPHNHBGEUZPBD-OAHLLOKOSA-N 2 1 327.472 1.852 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c2n1CCCC2 ZINC000370225729 155387073 /nfs/dbraw/zinc/38/70/73/155387073.db2.gz XSQANPIQIXOCCR-JSGCOSHPSA-N 2 1 331.464 1.952 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c2n1CCCC2 ZINC000370225729 155387075 /nfs/dbraw/zinc/38/70/75/155387075.db2.gz XSQANPIQIXOCCR-JSGCOSHPSA-N 2 1 331.464 1.952 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)CC[N@@H+]1C ZINC000364887411 153360821 /nfs/dbraw/zinc/36/08/21/153360821.db2.gz RXFJVTYQPBPJPX-HOTGVXAUSA-N 2 1 347.507 1.666 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)CC[N@H+]1C ZINC000364887411 153360823 /nfs/dbraw/zinc/36/08/23/153360823.db2.gz RXFJVTYQPBPJPX-HOTGVXAUSA-N 2 1 347.507 1.666 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)CC[NH+]1C ZINC000364887411 153360824 /nfs/dbraw/zinc/36/08/24/153360824.db2.gz RXFJVTYQPBPJPX-HOTGVXAUSA-N 2 1 347.507 1.666 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)CC[NH+]1C ZINC000364887411 153360826 /nfs/dbraw/zinc/36/08/26/153360826.db2.gz RXFJVTYQPBPJPX-HOTGVXAUSA-N 2 1 347.507 1.666 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000417232850 304386244 /nfs/dbraw/zinc/38/62/44/304386244.db2.gz QRAFHDYJJPOGEH-RCCFBDPRSA-N 2 1 330.476 1.887 20 0 EDADMP FCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000367191153 154035407 /nfs/dbraw/zinc/03/54/07/154035407.db2.gz JOFRTFGEXRPZFL-OKZBNKHCSA-N 2 1 327.488 1.901 20 0 EDADMP C[C@@H]1CCC[N@H+]1C1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000367274560 154062733 /nfs/dbraw/zinc/06/27/33/154062733.db2.gz NGZBPBKMJRJDNK-CABCVRRESA-N 2 1 329.510 1.217 20 0 EDADMP CCOC1CC2(C1)CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C2 ZINC000367598347 154192627 /nfs/dbraw/zinc/19/26/27/154192627.db2.gz QLRLJOJBXRQMKL-UHFFFAOYSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367619875 154202207 /nfs/dbraw/zinc/20/22/07/154202207.db2.gz PRXSKBBKCGFSFA-KRWDZBQOSA-N 2 1 333.480 1.785 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)[C@H](C)C3C[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000367651333 154215023 /nfs/dbraw/zinc/21/50/23/154215023.db2.gz QIUDCFDDPIDZGZ-CYBMUJFWSA-N 2 1 331.464 1.376 20 0 EDADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CC[C@H](CC(N)=O)C3)c2cc1C ZINC000367993515 154358655 /nfs/dbraw/zinc/35/86/55/154358655.db2.gz LZAQOCHSFAUWRW-HUUCEWRRSA-N 2 1 330.432 1.211 20 0 EDADMP O=C1NC[C@@H]2C[N@@H+](C[C@H]3CN(Cc4ccccc4)CCCO3)CC[C@H]12 ZINC000368066059 154393308 /nfs/dbraw/zinc/39/33/08/154393308.db2.gz WBUJDWWPDQHCSC-QRVBRYPASA-N 2 1 343.471 1.345 20 0 EDADMP O=C1NC[C@@H]2CN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC[C@H]12 ZINC000368066059 154393312 /nfs/dbraw/zinc/39/33/12/154393312.db2.gz WBUJDWWPDQHCSC-QRVBRYPASA-N 2 1 343.471 1.345 20 0 EDADMP O=C1NC[C@@H]2CN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC[C@H]12 ZINC000368066059 154393314 /nfs/dbraw/zinc/39/33/14/154393314.db2.gz WBUJDWWPDQHCSC-QRVBRYPASA-N 2 1 343.471 1.345 20 0 EDADMP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000369598775 155104172 /nfs/dbraw/zinc/10/41/72/155104172.db2.gz CXBZEYYFKRJOPY-MOPGFXCFSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)C[C@H](C)O1 ZINC000372419663 156380768 /nfs/dbraw/zinc/38/07/68/156380768.db2.gz DOLVPDNIAVOANK-IXDOHACOSA-N 2 1 349.519 1.819 20 0 EDADMP CCn1ccnc(NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1=O ZINC000374527043 157317635 /nfs/dbraw/zinc/31/76/35/157317635.db2.gz NJNYGNIEKULQRR-UHFFFAOYSA-N 2 1 347.507 1.871 20 0 EDADMP C[C@H](CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CC[NH2+]CC1 ZINC000378200286 158106304 /nfs/dbraw/zinc/10/63/04/158106304.db2.gz APRDOLLPRPYTQZ-AEFFLSMTSA-N 2 1 336.524 1.251 20 0 EDADMP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C[C@H](C)O ZINC000352201423 162046727 /nfs/dbraw/zinc/04/67/27/162046727.db2.gz FSTGLUYMBMNHPN-SFHVURJKSA-N 2 1 347.503 1.732 20 0 EDADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C[C@H](C)O ZINC000352201423 162046730 /nfs/dbraw/zinc/04/67/30/162046730.db2.gz FSTGLUYMBMNHPN-SFHVURJKSA-N 2 1 347.503 1.732 20 0 EDADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C[C@H](C)O ZINC000352201423 162046732 /nfs/dbraw/zinc/04/67/32/162046732.db2.gz FSTGLUYMBMNHPN-SFHVURJKSA-N 2 1 347.503 1.732 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000352224356 162059643 /nfs/dbraw/zinc/05/96/43/162059643.db2.gz YMVKBPRIDAFVPF-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352503382 162218004 /nfs/dbraw/zinc/21/80/04/162218004.db2.gz FVLVNDSGONKQTP-MRXNPFEDSA-N 2 1 349.475 1.784 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352503382 162218006 /nfs/dbraw/zinc/21/80/06/162218006.db2.gz FVLVNDSGONKQTP-MRXNPFEDSA-N 2 1 349.475 1.784 20 0 EDADMP COc1cccc(OC)c1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364229565 162321980 /nfs/dbraw/zinc/32/19/80/162321980.db2.gz HOYNFEVLVOFOBE-AWEZNQCLSA-N 2 1 347.459 1.602 20 0 EDADMP COc1cccc(OC)c1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364229565 162321983 /nfs/dbraw/zinc/32/19/83/162321983.db2.gz HOYNFEVLVOFOBE-AWEZNQCLSA-N 2 1 347.459 1.602 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000074676127 287272436 /nfs/dbraw/zinc/27/24/36/287272436.db2.gz QKYPUAPSWVTGFK-UHFFFAOYSA-N 2 1 346.519 1.896 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077591722 287288679 /nfs/dbraw/zinc/28/86/79/287288679.db2.gz KUIMKYKDFPFAFT-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CC1 ZINC000077590822 287288883 /nfs/dbraw/zinc/28/88/83/287288883.db2.gz IBNYETSICBUHNY-UHFFFAOYSA-N 2 1 338.496 1.225 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638080586 452397609 /nfs/dbraw/zinc/39/76/09/452397609.db2.gz CCEKPWCZFMRGJF-TWMKSMIVSA-N 2 1 325.497 1.850 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638080586 452397615 /nfs/dbraw/zinc/39/76/15/452397615.db2.gz CCEKPWCZFMRGJF-TWMKSMIVSA-N 2 1 325.497 1.850 20 0 EDADMP C[C@]1(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[NH2+]C1 ZINC000237749056 273012650 /nfs/dbraw/zinc/01/26/50/273012650.db2.gz BWRAJAZJKMNDTN-AWEZNQCLSA-N 2 1 337.386 1.099 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261749314 273017271 /nfs/dbraw/zinc/01/72/71/273017271.db2.gz LAUGCEXQPVODNL-MJGOQNOKSA-N 2 1 345.487 1.721 20 0 EDADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000247225156 273015945 /nfs/dbraw/zinc/01/59/45/273015945.db2.gz XYEITKZSUWOPOU-CABCVRRESA-N 2 1 339.505 1.977 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000247225156 273015948 /nfs/dbraw/zinc/01/59/48/273015948.db2.gz XYEITKZSUWOPOU-CABCVRRESA-N 2 1 339.505 1.977 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2nc[nH]c2n1 ZINC000273301840 268019901 /nfs/dbraw/zinc/01/99/01/268019901.db2.gz KRMDYIFFFOUIIB-CQSZACIVSA-N 2 1 344.463 1.446 20 0 EDADMP CCn1nc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c2ccccc21 ZINC000274468239 268144281 /nfs/dbraw/zinc/14/42/81/268144281.db2.gz UYTFXNZEOQYHMU-UHFFFAOYSA-N 2 1 329.448 1.310 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277655892 268569883 /nfs/dbraw/zinc/56/98/83/268569883.db2.gz SWOBOOOQEJEBFJ-OKZBNKHCSA-N 2 1 331.460 1.080 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000276271439 273157293 /nfs/dbraw/zinc/15/72/93/273157293.db2.gz TXLUMBHPAHBNBG-GOSISDBHSA-N 2 1 333.476 1.688 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000276271439 273157294 /nfs/dbraw/zinc/15/72/94/273157294.db2.gz TXLUMBHPAHBNBG-GOSISDBHSA-N 2 1 333.476 1.688 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000276271443 273157302 /nfs/dbraw/zinc/15/73/02/273157302.db2.gz TXLUMBHPAHBNBG-SFHVURJKSA-N 2 1 333.476 1.688 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000276271443 273157303 /nfs/dbraw/zinc/15/73/03/273157303.db2.gz TXLUMBHPAHBNBG-SFHVURJKSA-N 2 1 333.476 1.688 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@H+]1CC=CCC1 ZINC000280535311 273368245 /nfs/dbraw/zinc/36/82/45/273368245.db2.gz UTUQTJJNONGABD-UHFFFAOYSA-N 2 1 344.459 1.373 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000280535311 273368247 /nfs/dbraw/zinc/36/82/47/273368247.db2.gz UTUQTJJNONGABD-UHFFFAOYSA-N 2 1 344.459 1.373 20 0 EDADMP NC(=O)NC(=O)OCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280559256 273371283 /nfs/dbraw/zinc/37/12/83/273371283.db2.gz UXDZQIMSHBZNPI-IYBDPMFKSA-N 2 1 346.431 1.245 20 0 EDADMP NC(=O)NC(=O)OCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280559256 273371284 /nfs/dbraw/zinc/37/12/84/273371284.db2.gz UXDZQIMSHBZNPI-IYBDPMFKSA-N 2 1 346.431 1.245 20 0 EDADMP NC(=O)NC(=O)OCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280559256 273371285 /nfs/dbraw/zinc/37/12/85/273371285.db2.gz UXDZQIMSHBZNPI-IYBDPMFKSA-N 2 1 346.431 1.245 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000339314757 274023225 /nfs/dbraw/zinc/02/32/25/274023225.db2.gz DGEUTWJWYFNTTO-SJLPKXTDSA-N 2 1 348.491 1.699 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000339314757 274023227 /nfs/dbraw/zinc/02/32/27/274023227.db2.gz DGEUTWJWYFNTTO-SJLPKXTDSA-N 2 1 348.491 1.699 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000339314757 274023228 /nfs/dbraw/zinc/02/32/28/274023228.db2.gz DGEUTWJWYFNTTO-SJLPKXTDSA-N 2 1 348.491 1.699 20 0 EDADMP CCCCCC[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000365423167 275970181 /nfs/dbraw/zinc/97/01/81/275970181.db2.gz WNQVUPZPXITFPC-QGZVFWFLSA-N 2 1 328.497 1.477 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH+](C)CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C ZINC000328641508 276224925 /nfs/dbraw/zinc/22/49/25/276224925.db2.gz FNNUMCQJSIVMOH-CABCVRRESA-N 2 1 336.480 1.860 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C ZINC000328641508 276224926 /nfs/dbraw/zinc/22/49/26/276224926.db2.gz FNNUMCQJSIVMOH-CABCVRRESA-N 2 1 336.480 1.860 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C ZINC000328641508 276224927 /nfs/dbraw/zinc/22/49/27/276224927.db2.gz FNNUMCQJSIVMOH-CABCVRRESA-N 2 1 336.480 1.860 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C ZINC000328641508 276224928 /nfs/dbraw/zinc/22/49/28/276224928.db2.gz FNNUMCQJSIVMOH-CABCVRRESA-N 2 1 336.480 1.860 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369203077 276363159 /nfs/dbraw/zinc/36/31/59/276363159.db2.gz FUSHCZDABLGIID-ZACQAIPSSA-N 2 1 338.496 1.101 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]c(C2CC2)n1 ZINC000343642313 276370853 /nfs/dbraw/zinc/37/08/53/276370853.db2.gz DTCFHXVZCCGZIO-OAHLLOKOSA-N 2 1 333.480 1.775 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343642313 276370855 /nfs/dbraw/zinc/37/08/55/276370855.db2.gz DTCFHXVZCCGZIO-OAHLLOKOSA-N 2 1 333.480 1.775 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343642313 276370856 /nfs/dbraw/zinc/37/08/56/276370856.db2.gz DTCFHXVZCCGZIO-OAHLLOKOSA-N 2 1 333.480 1.775 20 0 EDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000338569689 277047850 /nfs/dbraw/zinc/04/78/50/277047850.db2.gz LIOCZGYFGOGPJM-JKSUJKDBSA-N 2 1 325.497 1.534 20 0 EDADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000359223436 277082781 /nfs/dbraw/zinc/08/27/81/277082781.db2.gz RZLCKGSBZRWYIX-PBHICJAKSA-N 2 1 346.475 1.883 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000195159191 277104980 /nfs/dbraw/zinc/10/49/80/277104980.db2.gz CMACAZNHMLGOET-MOPGFXCFSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000195159191 277104982 /nfs/dbraw/zinc/10/49/82/277104982.db2.gz CMACAZNHMLGOET-MOPGFXCFSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000195159191 277104983 /nfs/dbraw/zinc/10/49/83/277104983.db2.gz CMACAZNHMLGOET-MOPGFXCFSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCN(c3ncccn3)CC2)[C@H]2CCC[C@H]21 ZINC000367604402 277171143 /nfs/dbraw/zinc/17/11/43/277171143.db2.gz BKJOBTKLLRGFCC-FGTMMUONSA-N 2 1 344.507 1.061 20 0 EDADMP COC(=O)[C@@H]1CCC[NH+](C[C@@H](C)C[N@@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000247187937 277347330 /nfs/dbraw/zinc/34/73/30/277347330.db2.gz SQJOXAAOJQSMMK-PHZGNYQRSA-N 2 1 340.464 1.393 20 0 EDADMP COC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C)C[NH+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000247187937 277347331 /nfs/dbraw/zinc/34/73/31/277347331.db2.gz SQJOXAAOJQSMMK-PHZGNYQRSA-N 2 1 340.464 1.393 20 0 EDADMP COC(=O)[C@@H]1CCC[N@H+](C[C@@H](C)C[NH+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000247187937 277347332 /nfs/dbraw/zinc/34/73/32/277347332.db2.gz SQJOXAAOJQSMMK-PHZGNYQRSA-N 2 1 340.464 1.393 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417021863 278171475 /nfs/dbraw/zinc/17/14/75/278171475.db2.gz NTPKXIIHQMPFDJ-SJLPKXTDSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000417021863 278171477 /nfs/dbraw/zinc/17/14/77/278171477.db2.gz NTPKXIIHQMPFDJ-SJLPKXTDSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000417021863 278171478 /nfs/dbraw/zinc/17/14/78/278171478.db2.gz NTPKXIIHQMPFDJ-SJLPKXTDSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000180092168 278342232 /nfs/dbraw/zinc/34/22/32/278342232.db2.gz ZSVNHHNWEZLERS-CQSZACIVSA-N 2 1 329.448 1.388 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000367129258 288072832 /nfs/dbraw/zinc/07/28/32/288072832.db2.gz OMRQSFIDIZROBD-QZWWFDLISA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000367129258 288072835 /nfs/dbraw/zinc/07/28/35/288072835.db2.gz OMRQSFIDIZROBD-QZWWFDLISA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367129258 288072836 /nfs/dbraw/zinc/07/28/36/288072836.db2.gz OMRQSFIDIZROBD-QZWWFDLISA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367129258 288072838 /nfs/dbraw/zinc/07/28/38/288072838.db2.gz OMRQSFIDIZROBD-QZWWFDLISA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(N2CCOCC2)CCCOC1 ZINC000371281231 288104196 /nfs/dbraw/zinc/10/41/96/288104196.db2.gz BTCQANAOHALDOF-BDXSIMOUSA-N 2 1 325.497 1.186 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000344255517 279186113 /nfs/dbraw/zinc/18/61/13/279186113.db2.gz MBQTZUFIDLAJQX-IAGOWNOFSA-N 2 1 325.416 1.628 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000344255517 279186114 /nfs/dbraw/zinc/18/61/14/279186114.db2.gz MBQTZUFIDLAJQX-IAGOWNOFSA-N 2 1 325.416 1.628 20 0 EDADMP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000268948166 279314443 /nfs/dbraw/zinc/31/44/43/279314443.db2.gz UZUHOIVOMSHRNV-KZNAEPCWSA-N 2 1 331.508 1.664 20 0 EDADMP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000268948166 279314445 /nfs/dbraw/zinc/31/44/45/279314445.db2.gz UZUHOIVOMSHRNV-KZNAEPCWSA-N 2 1 331.508 1.664 20 0 EDADMP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000337677876 279316090 /nfs/dbraw/zinc/31/60/90/279316090.db2.gz MDGGHDGUUSAPKB-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000337677876 279316092 /nfs/dbraw/zinc/31/60/92/279316092.db2.gz MDGGHDGUUSAPKB-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000246407121 279334694 /nfs/dbraw/zinc/33/46/94/279334694.db2.gz KLUVTOBFBARFOT-OALUTQOASA-N 2 1 344.503 1.576 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000246407121 279334697 /nfs/dbraw/zinc/33/46/97/279334697.db2.gz KLUVTOBFBARFOT-OALUTQOASA-N 2 1 344.503 1.576 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)NCC(C)(C)[NH3+])CC1 ZINC000416993409 279363683 /nfs/dbraw/zinc/36/36/83/279363683.db2.gz QDJKWJMCFYGMJH-UHFFFAOYSA-N 2 1 347.507 1.361 20 0 EDADMP C[C@](C[NH3+])([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000430557933 280139946 /nfs/dbraw/zinc/13/99/46/280139946.db2.gz UVQUOMYHOMHNHN-LJQANCHMSA-N 2 1 348.466 1.581 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417700482 281056263 /nfs/dbraw/zinc/05/62/63/281056263.db2.gz LKFQECLQAQJIPF-RDJZCZTQSA-N 2 1 326.485 1.319 20 0 EDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000287758672 288316216 /nfs/dbraw/zinc/31/62/16/288316216.db2.gz QSHYDOYUDVUVCY-CRAIPNDOSA-N 2 1 329.448 1.765 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000290300891 288875218 /nfs/dbraw/zinc/87/52/18/288875218.db2.gz NOTBRKQYTMMLRU-KBPBESRZSA-N 2 1 341.839 1.339 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000357874767 289046069 /nfs/dbraw/zinc/04/60/69/289046069.db2.gz UHKGFCBDNHZARS-WCXIOVBPSA-N 2 1 338.496 1.364 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000420809169 289046250 /nfs/dbraw/zinc/04/62/50/289046250.db2.gz YNTMBQRFNVWQGK-GOSISDBHSA-N 2 1 344.503 1.821 20 0 EDADMP C[C@@H](C[NH2+]Cc1ccccc1OCC(=O)NCC1CC1)C[NH+](C)C ZINC000291632484 289132808 /nfs/dbraw/zinc/13/28/08/289132808.db2.gz AQTCPYPWOLQKNE-HNNXBMFYSA-N 2 1 333.476 1.879 20 0 EDADMP CS[C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1[NH+](C)C ZINC000291828771 289191163 /nfs/dbraw/zinc/19/11/63/289191163.db2.gz DOLKZNUPQQNGPR-CABCVRRESA-N 2 1 338.477 1.388 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000291872538 289202651 /nfs/dbraw/zinc/20/26/51/289202651.db2.gz IMSPHGANCSOMEV-AZUAARDMSA-N 2 1 344.503 1.897 20 0 EDADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3cccc4[nH]ccc43)C2)C1 ZINC000292131772 289269116 /nfs/dbraw/zinc/26/91/16/289269116.db2.gz LHLWBZFOLQJFHJ-BEFAXECRSA-N 2 1 329.444 1.935 20 0 EDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3cccc4[nH]ccc43)C2)C1 ZINC000292131772 289269120 /nfs/dbraw/zinc/26/91/20/289269120.db2.gz LHLWBZFOLQJFHJ-BEFAXECRSA-N 2 1 329.444 1.935 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)COc3cccc4[nH]ccc43)C2)C1 ZINC000292131772 289269121 /nfs/dbraw/zinc/26/91/21/289269121.db2.gz LHLWBZFOLQJFHJ-BEFAXECRSA-N 2 1 329.444 1.935 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3cccc4[nH]ccc43)C2)C1 ZINC000292131772 289269123 /nfs/dbraw/zinc/26/91/23/289269123.db2.gz LHLWBZFOLQJFHJ-BEFAXECRSA-N 2 1 329.444 1.935 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CC[NH+](C)CC1 ZINC000366722097 289357943 /nfs/dbraw/zinc/35/79/43/289357943.db2.gz JZZGLOMBEYKHCK-SJLPKXTDSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CC[NH+](C)CC1 ZINC000366722097 289357944 /nfs/dbraw/zinc/35/79/44/289357944.db2.gz JZZGLOMBEYKHCK-SJLPKXTDSA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NCC2=CC[NH2+]CC2)c2ccccc2)CC1 ZINC000186336813 290055870 /nfs/dbraw/zinc/05/58/70/290055870.db2.gz MPPFZJONEDKEKC-SFHVURJKSA-N 2 1 328.460 1.011 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442781007 295134189 /nfs/dbraw/zinc/13/41/89/295134189.db2.gz NQOIUDWZAJKADB-VNHYZAJKSA-N 2 1 335.448 1.378 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442781007 295134190 /nfs/dbraw/zinc/13/41/90/295134190.db2.gz NQOIUDWZAJKADB-VNHYZAJKSA-N 2 1 335.448 1.378 20 0 EDADMP COc1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000342713101 295226559 /nfs/dbraw/zinc/22/65/59/295226559.db2.gz RKBWCUKBBZCYTB-LZQZEXGQSA-N 2 1 345.487 1.941 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NCCN3CCc4ccccc43)C[C@@H]21 ZINC000342111863 295316344 /nfs/dbraw/zinc/31/63/44/295316344.db2.gz UVCMGVVUKYAFML-OKZBNKHCSA-N 2 1 342.487 1.225 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NCCN3CCc4ccccc43)C[C@@H]21 ZINC000342111863 295316346 /nfs/dbraw/zinc/31/63/46/295316346.db2.gz UVCMGVVUKYAFML-OKZBNKHCSA-N 2 1 342.487 1.225 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000261936888 295410944 /nfs/dbraw/zinc/41/09/44/295410944.db2.gz KCXYLJWMNRDGBT-UKRRQHHQSA-N 2 1 335.473 1.263 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]1)N1CC[NH+](CCc2cccs2)CC1 ZINC000418545375 304510913 /nfs/dbraw/zinc/51/09/13/304510913.db2.gz FLQJTGWBAFXPGT-OAHLLOKOSA-N 2 1 336.505 1.760 20 0 EDADMP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000346263748 297304874 /nfs/dbraw/zinc/30/48/74/297304874.db2.gz NERVRBJXQSYEHP-KSZLIROESA-N 2 1 337.508 1.678 20 0 EDADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000346263748 297304875 /nfs/dbraw/zinc/30/48/75/297304875.db2.gz NERVRBJXQSYEHP-KSZLIROESA-N 2 1 337.508 1.678 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C[NH3+] ZINC000422633363 297367280 /nfs/dbraw/zinc/36/72/80/297367280.db2.gz HZTPBDVZMWBVSF-NEPXVJNWSA-N 3 1 346.519 1.711 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C[NH3+] ZINC000422633363 297367281 /nfs/dbraw/zinc/36/72/81/297367281.db2.gz HZTPBDVZMWBVSF-NEPXVJNWSA-N 3 1 346.519 1.711 20 0 EDADMP COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420319859 304751196 /nfs/dbraw/zinc/75/11/96/304751196.db2.gz AQUNUTYHNAEZAU-SIIHOXLZSA-N 2 1 347.459 1.850 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000294231954 303080724 /nfs/dbraw/zinc/08/07/24/303080724.db2.gz WWMDTPFAMAACRO-INIZCTEOSA-N 2 1 325.432 1.596 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@H+](C)Cc1ccccc1 ZINC000295299580 303201560 /nfs/dbraw/zinc/20/15/60/303201560.db2.gz AYOIRNTZOBHJQY-AEFFLSMTSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@@H+](C)Cc1ccccc1 ZINC000295299580 303201561 /nfs/dbraw/zinc/20/15/61/303201561.db2.gz AYOIRNTZOBHJQY-AEFFLSMTSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+](C)Cc1ccccc1 ZINC000295299580 303201563 /nfs/dbraw/zinc/20/15/63/303201563.db2.gz AYOIRNTZOBHJQY-AEFFLSMTSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+](C)Cc1ccccc1 ZINC000295299580 303201565 /nfs/dbraw/zinc/20/15/65/303201565.db2.gz AYOIRNTZOBHJQY-AEFFLSMTSA-N 2 1 333.476 1.470 20 0 EDADMP [NH3+]CCC[N@H+](CC(=O)NC(=O)NC1CCCCC1)CC1CCCC1 ZINC000352488411 303376217 /nfs/dbraw/zinc/37/62/17/303376217.db2.gz PWERFBSHGXAGDC-UHFFFAOYSA-N 2 1 338.496 1.986 20 0 EDADMP O[C@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1F ZINC000360016433 303827079 /nfs/dbraw/zinc/82/70/79/303827079.db2.gz MZRUBOXSFORWFA-QGZVFWFLSA-N 2 1 338.423 1.018 20 0 EDADMP C[C@@](C[NH3+])([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000430580977 305056953 /nfs/dbraw/zinc/05/69/53/305056953.db2.gz IHFRFSDOWCGVHB-INIZCTEOSA-N 2 1 326.462 1.576 20 0 EDADMP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430613729 305058992 /nfs/dbraw/zinc/05/89/92/305058992.db2.gz WMKZSJKWHSQSGV-KBPBESRZSA-N 2 1 349.479 1.572 20 0 EDADMP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430613729 305058993 /nfs/dbraw/zinc/05/89/93/305058993.db2.gz WMKZSJKWHSQSGV-KBPBESRZSA-N 2 1 349.479 1.572 20 0 EDADMP C[N@@H+](CCOc1cc(Cl)cc(Cl)c1)CC(=O)N1CC[NH2+]CC1 ZINC000430633212 305060449 /nfs/dbraw/zinc/06/04/49/305060449.db2.gz ZFAYXNWQRDVDIO-UHFFFAOYSA-N 2 1 346.258 1.736 20 0 EDADMP C[N@H+](CCOc1cc(Cl)cc(Cl)c1)CC(=O)N1CC[NH2+]CC1 ZINC000430633212 305060448 /nfs/dbraw/zinc/06/04/48/305060448.db2.gz ZFAYXNWQRDVDIO-UHFFFAOYSA-N 2 1 346.258 1.736 20 0 EDADMP O=C(Nc1c[nH+]ccc1-n1ccnc1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000430815208 305065263 /nfs/dbraw/zinc/06/52/63/305065263.db2.gz LYYGUIGVIXCKIH-UHFFFAOYSA-N 2 1 338.375 1.036 20 0 EDADMP C[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000430873424 305066538 /nfs/dbraw/zinc/06/65/38/305066538.db2.gz SLQAPJCMCGWKTO-HNAYVOBHSA-N 2 1 344.459 1.322 20 0 EDADMP Cc1c(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000430878668 305066722 /nfs/dbraw/zinc/06/67/22/305066722.db2.gz KAYXGRGJKUEPNN-OKILXGFUSA-N 2 1 348.495 1.504 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430944849 305069781 /nfs/dbraw/zinc/06/97/81/305069781.db2.gz VAQCWVLYPMPESZ-RVKKMQEKSA-N 2 1 348.466 1.532 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430944849 305069782 /nfs/dbraw/zinc/06/97/82/305069782.db2.gz VAQCWVLYPMPESZ-RVKKMQEKSA-N 2 1 348.466 1.532 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000433128052 305101224 /nfs/dbraw/zinc/10/12/24/305101224.db2.gz KDCCJFNSMPXZIV-QAPCUYQASA-N 2 1 333.476 1.754 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000433128052 305101225 /nfs/dbraw/zinc/10/12/25/305101225.db2.gz KDCCJFNSMPXZIV-QAPCUYQASA-N 2 1 333.476 1.754 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000433175425 305102313 /nfs/dbraw/zinc/10/23/13/305102313.db2.gz PMTSKUNTVAPAML-SFHVURJKSA-N 2 1 332.492 1.498 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433381546 305107057 /nfs/dbraw/zinc/10/70/57/305107057.db2.gz AHCKXEBTDDYGBC-HZPDHXFCSA-N 2 1 346.479 1.197 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000433388137 305107567 /nfs/dbraw/zinc/10/75/67/305107567.db2.gz LQFIWGNWVUTOEW-JKSUJKDBSA-N 2 1 342.528 1.763 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000435376140 305139226 /nfs/dbraw/zinc/13/92/26/305139226.db2.gz PTBOXMITYFRCJE-DZGCQCFKSA-N 2 1 335.448 1.379 20 0 EDADMP C[NH2+]CCC[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000435877571 305148784 /nfs/dbraw/zinc/14/87/84/305148784.db2.gz SDYPVGAVMSVNCF-ZDUSSCGKSA-N 2 1 345.443 1.910 20 0 EDADMP CC1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000436059648 305151735 /nfs/dbraw/zinc/15/17/35/305151735.db2.gz BYOXWFVBVCXZRH-GPANFISMSA-N 2 1 338.496 1.001 20 0 EDADMP CC1CCC(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000436059648 305151736 /nfs/dbraw/zinc/15/17/36/305151736.db2.gz BYOXWFVBVCXZRH-GPANFISMSA-N 2 1 338.496 1.001 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000438118886 305181545 /nfs/dbraw/zinc/18/15/45/305181545.db2.gz NTHKMBTWSFAXCH-QGZVFWFLSA-N 2 1 348.491 1.981 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000438118886 305181546 /nfs/dbraw/zinc/18/15/46/305181546.db2.gz NTHKMBTWSFAXCH-QGZVFWFLSA-N 2 1 348.491 1.981 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000438118885 305181576 /nfs/dbraw/zinc/18/15/76/305181576.db2.gz NTHKMBTWSFAXCH-KRWDZBQOSA-N 2 1 348.491 1.981 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000438118885 305181577 /nfs/dbraw/zinc/18/15/77/305181577.db2.gz NTHKMBTWSFAXCH-KRWDZBQOSA-N 2 1 348.491 1.981 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)COCc1ccco1 ZINC000441266103 305219929 /nfs/dbraw/zinc/21/99/29/305219929.db2.gz MTFJRRUHUOZDSR-CYGHRXIMSA-N 2 1 338.448 1.341 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000441397956 305221976 /nfs/dbraw/zinc/22/19/76/305221976.db2.gz RPBQRAWZYXDJCJ-CABCVRRESA-N 2 1 338.496 1.364 20 0 EDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000443064112 305234273 /nfs/dbraw/zinc/23/42/73/305234273.db2.gz BPEJDMPGSDOZRS-LSDHHAIUSA-N 2 1 333.432 1.003 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443066735 305234453 /nfs/dbraw/zinc/23/44/53/305234453.db2.gz SCFCTBQISSXXEP-MRXNPFEDSA-N 2 1 349.475 1.423 20 0 EDADMP C[C@@H](C(=O)N(C)CC[NH+](C)C1CCN(C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444030424 305242963 /nfs/dbraw/zinc/24/29/63/305242963.db2.gz KZKHYQFLSPBPBG-BBWFWOEESA-N 2 1 338.540 1.732 20 0 EDADMP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444030424 305242964 /nfs/dbraw/zinc/24/29/64/305242964.db2.gz KZKHYQFLSPBPBG-BBWFWOEESA-N 2 1 338.540 1.732 20 0 EDADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444030424 305242965 /nfs/dbraw/zinc/24/29/65/305242965.db2.gz KZKHYQFLSPBPBG-BBWFWOEESA-N 2 1 338.540 1.732 20 0 EDADMP C[C@@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444030424 305242966 /nfs/dbraw/zinc/24/29/66/305242966.db2.gz KZKHYQFLSPBPBG-BBWFWOEESA-N 2 1 338.540 1.732 20 0 EDADMP C[C@@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444030424 305242967 /nfs/dbraw/zinc/24/29/67/305242967.db2.gz KZKHYQFLSPBPBG-BBWFWOEESA-N 2 1 338.540 1.732 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444264858 305244784 /nfs/dbraw/zinc/24/47/84/305244784.db2.gz DEYYJBPWRADHGL-YVWKXTFCSA-N 2 1 342.487 1.313 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)[NH+]1CCN(c2ccccc2)CC1 ZINC000444267091 305244911 /nfs/dbraw/zinc/24/49/11/305244911.db2.gz OTBJKVDSBSUDEY-POAQFYNOSA-N 2 1 342.487 1.313 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC2([NH+](C)C)CCC2)C[C@@H]1CC ZINC000446626414 305268225 /nfs/dbraw/zinc/26/82/25/305268225.db2.gz XHEWCRDSMUWVQN-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449351037 305312316 /nfs/dbraw/zinc/31/23/16/305312316.db2.gz NRDKXYJEYUBQQS-LPHOPBHVSA-N 2 1 331.460 1.145 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000452393434 305397575 /nfs/dbraw/zinc/39/75/75/305397575.db2.gz SPBROXWIOIPZOR-RBUKOAKNSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000452393434 305397576 /nfs/dbraw/zinc/39/75/76/305397576.db2.gz SPBROXWIOIPZOR-RBUKOAKNSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000452393434 305397577 /nfs/dbraw/zinc/39/75/77/305397577.db2.gz SPBROXWIOIPZOR-RBUKOAKNSA-N 2 1 345.487 1.614 20 0 EDADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000516643023 305739789 /nfs/dbraw/zinc/73/97/89/305739789.db2.gz VFHNREJMFUGFEI-ZBFHGGJFSA-N 2 1 339.505 1.851 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000414928500 447360181 /nfs/dbraw/zinc/36/01/81/447360181.db2.gz QCXFQODNPUEZHX-INIZCTEOSA-N 2 1 346.475 1.677 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000414932925 447362260 /nfs/dbraw/zinc/36/22/60/447362260.db2.gz WFDPLFIDSJZMNH-INIZCTEOSA-N 2 1 332.448 1.287 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000414935290 447364502 /nfs/dbraw/zinc/36/45/02/447364502.db2.gz VHEGQKNXBRHCBW-OAHLLOKOSA-N 2 1 330.432 1.041 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000414943210 447366312 /nfs/dbraw/zinc/36/63/12/447366312.db2.gz NNRXYKUJQIUFSX-ZFWWWQNUSA-N 2 1 344.459 1.476 20 0 EDADMP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000541680605 306046743 /nfs/dbraw/zinc/04/67/43/306046743.db2.gz ODRXEXDPRYBZBK-AWEZNQCLSA-N 2 1 334.464 1.331 20 0 EDADMP CC(C)C[C@H](CNC(=O)CCN(C)c1cc[nH+]cc1)[NH+]1CCOCC1 ZINC000543715846 306067765 /nfs/dbraw/zinc/06/77/65/306067765.db2.gz KJCHDAGOGLTMSR-GOSISDBHSA-N 2 1 348.491 1.771 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000548063665 306118933 /nfs/dbraw/zinc/11/89/33/306118933.db2.gz HXSAJBYYBQBFFP-KRWDZBQOSA-N 2 1 337.508 1.822 20 0 EDADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000552297949 306178714 /nfs/dbraw/zinc/17/87/14/306178714.db2.gz MBRPMYMZLFNZMJ-NDBYEHHHSA-N 2 1 339.509 1.993 20 0 EDADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000552297949 306178715 /nfs/dbraw/zinc/17/87/15/306178715.db2.gz MBRPMYMZLFNZMJ-NDBYEHHHSA-N 2 1 339.509 1.993 20 0 EDADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000557137478 306224826 /nfs/dbraw/zinc/22/48/26/306224826.db2.gz PSDIFECWEIKVDJ-JKSUJKDBSA-N 2 1 346.475 1.411 20 0 EDADMP Cc1noc(CCC[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)n1 ZINC000425958523 447367925 /nfs/dbraw/zinc/36/79/25/447367925.db2.gz NPMUAHPZQOAKLA-IBGZPJMESA-N 2 1 344.459 1.879 20 0 EDADMP Cc1noc(CCC[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)n1 ZINC000425958523 447367932 /nfs/dbraw/zinc/36/79/32/447367932.db2.gz NPMUAHPZQOAKLA-IBGZPJMESA-N 2 1 344.459 1.879 20 0 EDADMP Cc1noc(CCC[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000425958523 447367937 /nfs/dbraw/zinc/36/79/37/447367937.db2.gz NPMUAHPZQOAKLA-IBGZPJMESA-N 2 1 344.459 1.879 20 0 EDADMP Cc1noc(CCC[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000425958523 447367942 /nfs/dbraw/zinc/36/79/42/447367942.db2.gz NPMUAHPZQOAKLA-IBGZPJMESA-N 2 1 344.459 1.879 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000414949976 447370369 /nfs/dbraw/zinc/37/03/69/447370369.db2.gz GYZUMPALYDTXSK-WOSRLPQWSA-N 2 1 333.432 1.920 20 0 EDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414965298 447376394 /nfs/dbraw/zinc/37/63/94/447376394.db2.gz FLIFCFZULKEYDM-KFWWJZLASA-N 3 1 336.446 1.723 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000414964026 447377113 /nfs/dbraw/zinc/37/71/13/447377113.db2.gz LLNYVWILHSVBMN-DOTOQJQBSA-N 2 1 344.459 1.287 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000458497916 447389366 /nfs/dbraw/zinc/38/93/66/447389366.db2.gz HWQWKGDWYOABPF-ZBFHGGJFSA-N 2 1 328.526 1.455 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)NC[C@H](C)[NH+](C)C)CC2)CC1 ZINC000422186275 447393917 /nfs/dbraw/zinc/39/39/17/447393917.db2.gz AMYNDPOQMFSCKT-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)NC[C@H](C)[NH+](C)C)CC2)CC1 ZINC000422186275 447393921 /nfs/dbraw/zinc/39/39/21/447393921.db2.gz AMYNDPOQMFSCKT-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000458520119 447397790 /nfs/dbraw/zinc/39/77/90/447397790.db2.gz WPOXBKMPIRSJGX-HRCADAONSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000057701042 441128303 /nfs/dbraw/zinc/12/83/03/441128303.db2.gz JMDQQYNATSRUGY-ANQUJSFKSA-N 2 1 325.497 1.719 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000057701042 441128307 /nfs/dbraw/zinc/12/83/07/441128307.db2.gz JMDQQYNATSRUGY-ANQUJSFKSA-N 2 1 325.497 1.719 20 0 EDADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000103211189 441177053 /nfs/dbraw/zinc/17/70/53/441177053.db2.gz HEHPOHUNOBZHGR-UHFFFAOYSA-N 2 1 329.448 1.642 20 0 EDADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2ccncc2)CC1 ZINC000080746962 441193682 /nfs/dbraw/zinc/19/36/82/441193682.db2.gz WQMGNCPKTMKLON-UHFFFAOYSA-N 2 1 334.464 1.843 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCCC[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000105070290 441229638 /nfs/dbraw/zinc/22/96/38/441229638.db2.gz RZTVABLZLKASHS-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP Cc1ccc(-c2n[nH]cc2CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000105475237 441255619 /nfs/dbraw/zinc/25/56/19/441255619.db2.gz UUTQENFEKREXMI-AWEZNQCLSA-N 2 1 345.447 1.655 20 0 EDADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000105475237 441255630 /nfs/dbraw/zinc/25/56/30/441255630.db2.gz UUTQENFEKREXMI-AWEZNQCLSA-N 2 1 345.447 1.655 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000072908427 441276286 /nfs/dbraw/zinc/27/62/86/441276286.db2.gz FMOGLNSLZRPWAZ-UHFFFAOYSA-N 2 1 348.491 1.691 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000073881989 441365187 /nfs/dbraw/zinc/36/51/87/441365187.db2.gz QNOLGJISUWBTDO-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1C ZINC000083735747 441372147 /nfs/dbraw/zinc/37/21/47/441372147.db2.gz XBXUQRWDRCIPRB-AGUYFDCRSA-N 2 1 334.468 1.301 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1C ZINC000083735747 441372151 /nfs/dbraw/zinc/37/21/51/441372151.db2.gz XBXUQRWDRCIPRB-AGUYFDCRSA-N 2 1 334.468 1.301 20 0 EDADMP CN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000073988370 441377578 /nfs/dbraw/zinc/37/75/78/441377578.db2.gz GYVJMCJVJSPPML-IBGZPJMESA-N 2 1 344.503 1.600 20 0 EDADMP CN(Cc1ccco1)C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958234 441429247 /nfs/dbraw/zinc/42/92/47/441429247.db2.gz ZIJJXAHXIYMZLI-UHFFFAOYSA-N 2 1 335.448 1.282 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCSC1 ZINC000074820950 441468825 /nfs/dbraw/zinc/46/88/25/441468825.db2.gz AWGKUZDVXRQKFO-HUUCEWRRSA-N 2 1 328.526 1.549 20 0 EDADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085790763 441450825 /nfs/dbraw/zinc/45/08/25/441450825.db2.gz NCSXIFAODCFIAX-HNNXBMFYSA-N 2 1 331.526 1.463 20 0 EDADMP Cc1n[nH]cc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420898 441453031 /nfs/dbraw/zinc/45/30/31/441453031.db2.gz FTGAZRRTVVJHHH-QGZVFWFLSA-N 2 1 341.459 1.705 20 0 EDADMP COc1ccc([C@H](NC(=O)[C@H]2CCCN2C)c2nccn2C)cc1 ZINC000110046085 441513412 /nfs/dbraw/zinc/51/34/12/441513412.db2.gz DLGOMJJFTZNZMQ-CVEARBPZSA-N 2 1 328.416 1.729 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000089433284 441551353 /nfs/dbraw/zinc/55/13/53/441551353.db2.gz ONBHDQPHKQEOBH-MRXNPFEDSA-N 2 1 335.452 1.028 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000089433284 441551356 /nfs/dbraw/zinc/55/13/56/441551356.db2.gz ONBHDQPHKQEOBH-MRXNPFEDSA-N 2 1 335.452 1.028 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](CO)c2ccc(OC)cc2)CC1 ZINC000113510090 441611630 /nfs/dbraw/zinc/61/16/30/441611630.db2.gz BVCMBTCOYZZQKL-GOSISDBHSA-N 2 1 349.475 1.261 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](CO)c2ccc(OC)cc2)CC1 ZINC000113510090 441611632 /nfs/dbraw/zinc/61/16/32/441611632.db2.gz BVCMBTCOYZZQKL-GOSISDBHSA-N 2 1 349.475 1.261 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000054510063 441582030 /nfs/dbraw/zinc/58/20/30/441582030.db2.gz RUSSLPQESMVJBP-INIZCTEOSA-N 2 1 331.464 1.645 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066915485 441584953 /nfs/dbraw/zinc/58/49/53/441584953.db2.gz FSQBMYYFSWTETL-UXLLHSPISA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066915485 441584959 /nfs/dbraw/zinc/58/49/59/441584959.db2.gz FSQBMYYFSWTETL-UXLLHSPISA-N 2 1 325.497 1.673 20 0 EDADMP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000090412473 441628157 /nfs/dbraw/zinc/62/81/57/441628157.db2.gz QNXMWGLNMAZBJG-LUKYLMHMSA-N 2 1 338.496 1.269 20 0 EDADMP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000090412473 441628161 /nfs/dbraw/zinc/62/81/61/441628161.db2.gz QNXMWGLNMAZBJG-LUKYLMHMSA-N 2 1 338.496 1.269 20 0 EDADMP Cn1ccnc1C[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000136958523 441735056 /nfs/dbraw/zinc/73/50/56/441735056.db2.gz NYJMNPXZSBELGV-CVEARBPZSA-N 2 1 345.491 1.869 20 0 EDADMP C[C@H](CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000121777043 441778025 /nfs/dbraw/zinc/77/80/25/441778025.db2.gz RBODDZQGWGBXON-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000138618368 441795915 /nfs/dbraw/zinc/79/59/15/441795915.db2.gz KTHNHDHDSKSMEF-MRXNPFEDSA-N 2 1 333.480 1.952 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000138618368 441795920 /nfs/dbraw/zinc/79/59/20/441795920.db2.gz KTHNHDHDSKSMEF-MRXNPFEDSA-N 2 1 333.480 1.952 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)no1 ZINC000174451296 441925438 /nfs/dbraw/zinc/92/54/38/441925438.db2.gz HKTBJPQDNSSFFG-HNNXBMFYSA-N 2 1 337.468 1.541 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000174770123 441966908 /nfs/dbraw/zinc/96/69/08/441966908.db2.gz RJTASPIFWAUFGX-QGZVFWFLSA-N 2 1 331.460 1.270 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000174770123 441966911 /nfs/dbraw/zinc/96/69/11/441966911.db2.gz RJTASPIFWAUFGX-QGZVFWFLSA-N 2 1 331.460 1.270 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000174770123 441966917 /nfs/dbraw/zinc/96/69/17/441966917.db2.gz RJTASPIFWAUFGX-QGZVFWFLSA-N 2 1 331.460 1.270 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000174770123 441966919 /nfs/dbraw/zinc/96/69/19/441966919.db2.gz RJTASPIFWAUFGX-QGZVFWFLSA-N 2 1 331.460 1.270 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000174947556 441987648 /nfs/dbraw/zinc/98/76/48/441987648.db2.gz FSRKQAAGSJCOMI-LSDHHAIUSA-N 2 1 346.475 1.776 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCN2CCOCC2)[C@H](C)C1 ZINC000151182510 442020207 /nfs/dbraw/zinc/02/02/07/442020207.db2.gz DJSHYYSMZUJUOY-MSOLQXFVSA-N 2 1 327.513 1.435 20 0 EDADMP COc1ccc(COC[C@@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000162792291 442122553 /nfs/dbraw/zinc/12/25/53/442122553.db2.gz JSSVUQGICXASBI-HBFSDRIKSA-N 2 1 348.487 1.989 20 0 EDADMP COc1ccc(COC[C@@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000162792291 442122556 /nfs/dbraw/zinc/12/25/56/442122556.db2.gz JSSVUQGICXASBI-HBFSDRIKSA-N 2 1 348.487 1.989 20 0 EDADMP COc1ccc(COC[C@@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000162792291 442122560 /nfs/dbraw/zinc/12/25/60/442122560.db2.gz JSSVUQGICXASBI-HBFSDRIKSA-N 2 1 348.487 1.989 20 0 EDADMP C[N@H+](CCc1ccccn1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000120775367 442131612 /nfs/dbraw/zinc/13/16/12/442131612.db2.gz BBJKZWBHSDQKRA-UHFFFAOYSA-N 2 1 326.448 1.298 20 0 EDADMP C[N@@H+](CCc1ccccn1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000120775367 442131618 /nfs/dbraw/zinc/13/16/18/442131618.db2.gz BBJKZWBHSDQKRA-UHFFFAOYSA-N 2 1 326.448 1.298 20 0 EDADMP CCS(=O)(=O)N(C)C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000162962065 442134680 /nfs/dbraw/zinc/13/46/80/442134680.db2.gz FYIXJEJLQVWLEO-UHFFFAOYSA-N 2 1 342.509 1.718 20 0 EDADMP COc1ccc([C@H](C[NH2+]C2CC[NH+](C)CC2)N2CCOCC2)cc1 ZINC000120812656 442136381 /nfs/dbraw/zinc/13/63/81/442136381.db2.gz POVHHVCPODDCEV-IBGZPJMESA-N 2 1 333.476 1.752 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176059143 442168593 /nfs/dbraw/zinc/16/85/93/442168593.db2.gz XVWHCASQMDXCNK-UHFFFAOYSA-N 2 1 349.479 1.701 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000127452396 442204226 /nfs/dbraw/zinc/20/42/26/442204226.db2.gz QXQLCTCGSPOPFD-KURKYZTESA-N 2 1 333.476 1.324 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000152354644 442201637 /nfs/dbraw/zinc/20/16/37/442201637.db2.gz KQMJVFASFKZOJE-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000152354644 442201639 /nfs/dbraw/zinc/20/16/39/442201639.db2.gz KQMJVFASFKZOJE-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000152354644 442201643 /nfs/dbraw/zinc/20/16/43/442201643.db2.gz KQMJVFASFKZOJE-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000167250561 442219418 /nfs/dbraw/zinc/21/94/18/442219418.db2.gz KRYQSADGLBRHMJ-SFHVURJKSA-N 2 1 333.476 1.812 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000167249778 442219998 /nfs/dbraw/zinc/21/99/98/442219998.db2.gz SXVXPLKQKTUHPL-QZTJIDSGSA-N 2 1 333.476 1.812 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)oc1C ZINC000168625238 442224737 /nfs/dbraw/zinc/22/47/37/442224737.db2.gz HCYHAEIGLIXDFK-CVEARBPZSA-N 2 1 334.464 1.747 20 0 EDADMP O=C(C[NH+]1C[C@H]2CCC[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000152649385 442234559 /nfs/dbraw/zinc/23/45/59/442234559.db2.gz CAQVKPDGHILRHI-QZTJIDSGSA-N 2 1 349.519 1.870 20 0 EDADMP COC(=O)[C@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000171060898 442304932 /nfs/dbraw/zinc/30/49/32/442304932.db2.gz JBYUFFSBZMMVJS-PIGHNIFASA-N 2 1 338.448 1.313 20 0 EDADMP CC[C@@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000130590920 442350895 /nfs/dbraw/zinc/35/08/95/442350895.db2.gz CHOPOWMPGGYOML-MRXNPFEDSA-N 2 1 332.448 1.069 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000154022349 442317140 /nfs/dbraw/zinc/31/71/40/442317140.db2.gz YDVNLXXJUOBSST-MRXNPFEDSA-N 2 1 340.512 1.207 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000154022349 442317143 /nfs/dbraw/zinc/31/71/43/442317143.db2.gz YDVNLXXJUOBSST-MRXNPFEDSA-N 2 1 340.512 1.207 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000154022349 442317147 /nfs/dbraw/zinc/31/71/47/442317147.db2.gz YDVNLXXJUOBSST-MRXNPFEDSA-N 2 1 340.512 1.207 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000131880521 442382618 /nfs/dbraw/zinc/38/26/18/442382618.db2.gz VXXLSWPGPBXTDP-WBVHZDCISA-N 2 1 328.501 1.109 20 0 EDADMP C[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)C[NH+]1CCOCC1 ZINC000155490573 442402584 /nfs/dbraw/zinc/40/25/84/442402584.db2.gz QJLIELPWBHDVPG-IAGOWNOFSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)C[NH+]1CCOCC1 ZINC000155490573 442402585 /nfs/dbraw/zinc/40/25/85/442402585.db2.gz QJLIELPWBHDVPG-IAGOWNOFSA-N 2 1 340.512 1.518 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000186449238 442536745 /nfs/dbraw/zinc/53/67/45/442536745.db2.gz HGBDHUMEFPGOCF-GOSISDBHSA-N 2 1 330.476 1.387 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)N1CCN(C)CC1 ZINC000180191628 442556679 /nfs/dbraw/zinc/55/66/79/442556679.db2.gz CMFXZCUYQSTGKW-RYQLBKOJSA-N 2 1 330.476 1.184 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000180191628 442556683 /nfs/dbraw/zinc/55/66/83/442556683.db2.gz CMFXZCUYQSTGKW-RYQLBKOJSA-N 2 1 330.476 1.184 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000192102907 442593315 /nfs/dbraw/zinc/59/33/15/442593315.db2.gz GAFIXUGFKKFZNI-HUUCEWRRSA-N 2 1 344.459 1.895 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCCn1cc[nH+]c1C ZINC000173173123 442616607 /nfs/dbraw/zinc/61/66/07/442616607.db2.gz KWDGFNVMZMOLDT-MRXNPFEDSA-N 2 1 337.468 1.382 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCCCn1cc[nH+]c1C ZINC000173173123 442616612 /nfs/dbraw/zinc/61/66/12/442616612.db2.gz KWDGFNVMZMOLDT-MRXNPFEDSA-N 2 1 337.468 1.382 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000157917707 442628433 /nfs/dbraw/zinc/62/84/33/442628433.db2.gz MLSNKZHCIQTFHT-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000192727549 442680764 /nfs/dbraw/zinc/68/07/64/442680764.db2.gz QPZGIDXFECWNLT-ZDUSSCGKSA-N 2 1 325.478 1.857 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000192756021 442684096 /nfs/dbraw/zinc/68/40/96/442684096.db2.gz VTHQINMWIVNCOT-ROUUACIJSA-N 2 1 325.497 1.282 20 0 EDADMP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC[N@@H+](C)Cc2ccccc2)C1(C)C ZINC000188119032 442713277 /nfs/dbraw/zinc/71/32/77/442713277.db2.gz BPZKCBPIUOIIOG-LPHOPBHVSA-N 2 1 333.476 1.767 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246489962 442786156 /nfs/dbraw/zinc/78/61/56/442786156.db2.gz WEGFOGGNHONMBM-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246489962 442786158 /nfs/dbraw/zinc/78/61/58/442786158.db2.gz WEGFOGGNHONMBM-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246489962 442786161 /nfs/dbraw/zinc/78/61/61/442786161.db2.gz WEGFOGGNHONMBM-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)CC1 ZINC000193602456 442758518 /nfs/dbraw/zinc/75/85/18/442758518.db2.gz XCUWENYSDMIZFR-UHFFFAOYSA-N 2 1 344.503 1.650 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000246377541 442777835 /nfs/dbraw/zinc/77/78/35/442777835.db2.gz RHPJHKPJFOXRPS-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[NH+](C)C ZINC000193915596 442810969 /nfs/dbraw/zinc/81/09/69/442810969.db2.gz DZQAKTJBUNVLDC-QGZVFWFLSA-N 2 1 346.475 1.663 20 0 EDADMP CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[NH+](C)C ZINC000193915596 442810973 /nfs/dbraw/zinc/81/09/73/442810973.db2.gz DZQAKTJBUNVLDC-QGZVFWFLSA-N 2 1 346.475 1.663 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1cccs1 ZINC000188779745 442811037 /nfs/dbraw/zinc/81/10/37/442811037.db2.gz OEYJJOOAMQHPDN-QVHKTLOISA-N 2 1 325.453 1.947 20 0 EDADMP C[C@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000246765237 442811087 /nfs/dbraw/zinc/81/10/87/442811087.db2.gz QURXGRLKDZWAAF-HUUCEWRRSA-N 2 1 336.484 1.687 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000182716349 442812659 /nfs/dbraw/zinc/81/26/59/442812659.db2.gz JVYWKAHQUHEKEL-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP C[NH+](C[C@@H]1CCC[C@H]1O)CC1(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)COC1 ZINC000248416098 442890652 /nfs/dbraw/zinc/89/06/52/442890652.db2.gz INOQEHDYSNMKCI-XLAORIBOSA-N 2 1 340.508 1.189 20 0 EDADMP C[NH+](C[C@@H]1CCC[C@@H]1O)CC1(C[N@H+](C)C[C@@H]2CCC[C@H]2O)COC1 ZINC000248416098 442890655 /nfs/dbraw/zinc/89/06/55/442890655.db2.gz INOQEHDYSNMKCI-XLAORIBOSA-N 2 1 340.508 1.189 20 0 EDADMP C[NH+](C[C@@H]1CCC[C@@H]1O)CC1(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)COC1 ZINC000248416098 442890660 /nfs/dbraw/zinc/89/06/60/442890660.db2.gz INOQEHDYSNMKCI-XLAORIBOSA-N 2 1 340.508 1.189 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)C[C@H]12 ZINC000248599618 442904860 /nfs/dbraw/zinc/90/48/60/442904860.db2.gz IVRDXTQEUCDUSV-XMTFNYHQSA-N 2 1 345.512 1.972 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCOCC2)cc1 ZINC000183685999 442953997 /nfs/dbraw/zinc/95/39/97/442953997.db2.gz RWGGKQDAONHHHC-HNAYVOBHSA-N 2 1 344.459 1.524 20 0 EDADMP COC(=O)CCNC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183676389 442951767 /nfs/dbraw/zinc/95/17/67/442951767.db2.gz SROSETOSUYNILU-CYBMUJFWSA-N 2 1 344.415 1.511 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC000268797908 443112013 /nfs/dbraw/zinc/11/20/13/443112013.db2.gz JDPDIRWEMWNOKM-ZBFHGGJFSA-N 2 1 325.478 1.036 20 0 EDADMP CC[C@@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000268797110 443112128 /nfs/dbraw/zinc/11/21/28/443112128.db2.gz ISQDGXUBUADMFE-KRWDZBQOSA-N 2 1 333.480 1.050 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237478187 443173506 /nfs/dbraw/zinc/17/35/06/443173506.db2.gz TYMPNYRIHXGIKT-BPQIPLTHSA-N 2 1 331.460 1.616 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237478187 443173510 /nfs/dbraw/zinc/17/35/10/443173510.db2.gz TYMPNYRIHXGIKT-BPQIPLTHSA-N 2 1 331.460 1.616 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000237043235 443156521 /nfs/dbraw/zinc/15/65/21/443156521.db2.gz FLMCCDCAYRUDLR-LJIGWXMPSA-N 2 1 325.497 1.708 20 0 EDADMP C[NH+]1CCC(O)(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000266780047 443238513 /nfs/dbraw/zinc/23/85/13/443238513.db2.gz SPQWCUGSTPNDTB-QGZVFWFLSA-N 2 1 331.460 1.224 20 0 EDADMP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000262513132 443198581 /nfs/dbraw/zinc/19/85/81/443198581.db2.gz DXCOVOLGVSLOPG-BQFCYCMXSA-N 2 1 332.492 1.465 20 0 EDADMP C[C@H]([NH3+])[C@H](C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000262513132 443198584 /nfs/dbraw/zinc/19/85/84/443198584.db2.gz DXCOVOLGVSLOPG-BQFCYCMXSA-N 2 1 332.492 1.465 20 0 EDADMP C[C@H]([NH3+])[C@H](C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000262513132 443198587 /nfs/dbraw/zinc/19/85/87/443198587.db2.gz DXCOVOLGVSLOPG-BQFCYCMXSA-N 2 1 332.492 1.465 20 0 EDADMP C[NH+](C)C1CCN(C(=O)Cc2noc([C@@H]3CCC[N@@H+]3C3CC3)n2)CC1 ZINC000350274454 319046460 /nfs/dbraw/zinc/04/64/60/319046460.db2.gz PJZPNYKUJATZTP-HNNXBMFYSA-N 2 1 347.463 1.464 20 0 EDADMP C[NH+](C)C1CCN(C(=O)Cc2noc([C@@H]3CCC[N@H+]3C3CC3)n2)CC1 ZINC000350274454 319046463 /nfs/dbraw/zinc/04/64/63/319046463.db2.gz PJZPNYKUJATZTP-HNNXBMFYSA-N 2 1 347.463 1.464 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000382658871 319124639 /nfs/dbraw/zinc/12/46/39/319124639.db2.gz NWASONKTARGZTR-QUCCMNQESA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000382658871 319124642 /nfs/dbraw/zinc/12/46/42/319124642.db2.gz NWASONKTARGZTR-QUCCMNQESA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000382658871 319124645 /nfs/dbraw/zinc/12/46/45/319124645.db2.gz NWASONKTARGZTR-QUCCMNQESA-N 2 1 349.519 1.522 20 0 EDADMP C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000382763718 319124778 /nfs/dbraw/zinc/12/47/78/319124778.db2.gz OTVQBSBDTOXGNQ-GOSISDBHSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCC(=O)N1CC[NH2+]CC1 ZINC000382763718 319124780 /nfs/dbraw/zinc/12/47/80/319124780.db2.gz OTVQBSBDTOXGNQ-GOSISDBHSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCC(=O)N1CC[NH2+]CC1 ZINC000382763718 319124781 /nfs/dbraw/zinc/12/47/81/319124781.db2.gz OTVQBSBDTOXGNQ-GOSISDBHSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@H]1CCN(C(=O)COC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000382730398 319124909 /nfs/dbraw/zinc/12/49/09/319124909.db2.gz AIKJFFTZGKSUQF-KRWDZBQOSA-N 2 1 345.487 1.878 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)ccc1C[NH+](C)C ZINC000411244741 319173488 /nfs/dbraw/zinc/17/34/88/319173488.db2.gz NLLHZXZRJQRZAC-MRXNPFEDSA-N 2 1 332.448 1.206 20 0 EDADMP O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000411376675 319181078 /nfs/dbraw/zinc/18/10/78/319181078.db2.gz BFBQPADRCTVQFG-SJORKVTESA-N 2 1 337.533 1.901 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(F)(c3ccccn3)CC2)CC1 ZINC000411769133 319202038 /nfs/dbraw/zinc/20/20/38/319202038.db2.gz QTODIJHPCDAWQM-UHFFFAOYSA-N 2 1 348.466 1.943 20 0 EDADMP Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)c1C ZINC000414682077 319341587 /nfs/dbraw/zinc/34/15/87/319341587.db2.gz XQCCQMRWYDTGNG-MRXNPFEDSA-N 2 1 346.475 1.371 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CCN(C[C@H]([NH3+])CC(C)C)CC2)CC1 ZINC000414693262 319343204 /nfs/dbraw/zinc/34/32/04/319343204.db2.gz LQAPPMNMQMORPI-GOSISDBHSA-N 2 1 338.540 1.626 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000415087895 319346591 /nfs/dbraw/zinc/34/65/91/319346591.db2.gz LFBWXEUKBMFZGU-ZWKOTPCHSA-N 2 1 330.476 1.226 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000415196558 319349218 /nfs/dbraw/zinc/34/92/18/319349218.db2.gz SAPPCVIQLUCUMZ-MRXNPFEDSA-N 2 1 346.475 1.581 20 0 EDADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+](C2CCC2)C1 ZINC000415269193 319358957 /nfs/dbraw/zinc/35/89/57/319358957.db2.gz OWFATMCGFNTOEZ-AWEZNQCLSA-N 2 1 344.459 1.417 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415902009 319383182 /nfs/dbraw/zinc/38/31/82/319383182.db2.gz VQHLYXTWYQQNLW-KRWDZBQOSA-N 2 1 332.448 1.301 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000415962201 319385804 /nfs/dbraw/zinc/38/58/04/319385804.db2.gz WUBYUBLYSSPSIC-HUUCEWRRSA-N 2 1 334.464 1.715 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000246155063 443273429 /nfs/dbraw/zinc/27/34/29/443273429.db2.gz DJJFEAXYEJENNM-GVDBMIGSSA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000246155063 443273431 /nfs/dbraw/zinc/27/34/31/443273431.db2.gz DJJFEAXYEJENNM-GVDBMIGSSA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000246155063 443273433 /nfs/dbraw/zinc/27/34/33/443273433.db2.gz DJJFEAXYEJENNM-GVDBMIGSSA-N 2 1 340.512 1.325 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000269272735 443261747 /nfs/dbraw/zinc/26/17/47/443261747.db2.gz UFIYKIPIYXGPAW-BPQIPLTHSA-N 2 1 331.460 1.392 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C ZINC000416828314 319464687 /nfs/dbraw/zinc/46/46/87/319464687.db2.gz DQBHRHUKEUZYLV-HNNXBMFYSA-N 2 1 336.480 1.924 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000416839217 319466314 /nfs/dbraw/zinc/46/63/14/319466314.db2.gz JTCFMDUPVDGJON-QFBILLFUSA-N 2 1 348.491 1.987 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C)[NH+](C)C ZINC000416850818 319466728 /nfs/dbraw/zinc/46/67/28/319466728.db2.gz QLKOTFFUBPKOSU-LZWOXQAQSA-N 2 1 334.464 1.690 20 0 EDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000416885253 319468934 /nfs/dbraw/zinc/46/89/34/319468934.db2.gz PZBQYHYKYHEKAB-MSOLQXFVSA-N 2 1 346.475 1.445 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000416949149 319483239 /nfs/dbraw/zinc/48/32/39/319483239.db2.gz ZSECDURPDIPHSC-PMPSAXMXSA-N 2 1 326.485 1.255 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH3+])cc1 ZINC000419045042 319546772 /nfs/dbraw/zinc/54/67/72/319546772.db2.gz VMRLZTIUMYVTCZ-OLZOCXBDSA-N 2 1 343.431 1.069 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000267453591 443462690 /nfs/dbraw/zinc/46/26/90/443462690.db2.gz UVPQZEZELIKRST-FUHWJXTLSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000267453591 443462695 /nfs/dbraw/zinc/46/26/95/443462695.db2.gz UVPQZEZELIKRST-FUHWJXTLSA-N 2 1 330.476 1.854 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422739813 319736382 /nfs/dbraw/zinc/73/63/82/319736382.db2.gz MGVBKQRAFKQQKF-BRWVUGGUSA-N 2 1 337.489 1.605 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](COCc3ccccc3)C2)CC1 ZINC000283143449 443538210 /nfs/dbraw/zinc/53/82/10/443538210.db2.gz ODGVHGHQNKKPSX-LJQANCHMSA-N 2 1 345.487 1.689 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](COCc3ccccc3)C2)CC1 ZINC000283143449 443538212 /nfs/dbraw/zinc/53/82/12/443538212.db2.gz ODGVHGHQNKKPSX-LJQANCHMSA-N 2 1 345.487 1.689 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272350134 443600313 /nfs/dbraw/zinc/60/03/13/443600313.db2.gz ADYSIRXPRLSUID-HXUWFJFHSA-N 2 1 330.520 1.830 20 0 EDADMP C[C@H]([NH2+]CCCNS(C)(=O)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272385459 443609460 /nfs/dbraw/zinc/60/94/60/443609460.db2.gz CEMZRMXWDGLNHD-RDJZCZTQSA-N 2 1 339.505 1.426 20 0 EDADMP C[NH+](C)C1(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000438514667 320035347 /nfs/dbraw/zinc/03/53/47/320035347.db2.gz FUHBNWZDHMVRNG-UHFFFAOYSA-N 2 1 344.503 1.405 20 0 EDADMP CCS(=O)(=O)N(C)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000440321468 320071366 /nfs/dbraw/zinc/07/13/66/320071366.db2.gz UXKOFMKPEYNXSD-OAHLLOKOSA-N 2 1 331.526 1.607 20 0 EDADMP CCS(=O)(=O)N(C)C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000440321468 320071364 /nfs/dbraw/zinc/07/13/64/320071364.db2.gz UXKOFMKPEYNXSD-OAHLLOKOSA-N 2 1 331.526 1.607 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)CCO3)C[C@@H]21 ZINC000453036260 320260113 /nfs/dbraw/zinc/26/01/13/320260113.db2.gz NTQQPLFGOJKKBV-SQNIBIBYSA-N 2 1 329.444 1.050 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)CCO3)C[C@@H]21 ZINC000453036260 320260115 /nfs/dbraw/zinc/26/01/15/320260115.db2.gz NTQQPLFGOJKKBV-SQNIBIBYSA-N 2 1 329.444 1.050 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@@H]21 ZINC000453036260 320260117 /nfs/dbraw/zinc/26/01/17/320260117.db2.gz NTQQPLFGOJKKBV-SQNIBIBYSA-N 2 1 329.444 1.050 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@@H]21 ZINC000453036260 320260119 /nfs/dbraw/zinc/26/01/19/320260119.db2.gz NTQQPLFGOJKKBV-SQNIBIBYSA-N 2 1 329.444 1.050 20 0 EDADMP CC(C)[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[NH+]1CCOCC1 ZINC000457590357 320329649 /nfs/dbraw/zinc/32/96/49/320329649.db2.gz FHWPVPDWPPKIQU-INIZCTEOSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCCC[C@H]1C ZINC000457700086 320332376 /nfs/dbraw/zinc/33/23/76/320332376.db2.gz GYCWTEGPEVQFBM-ZACQAIPSSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@@H+]1CCCC[C@H]1C ZINC000457700086 320332377 /nfs/dbraw/zinc/33/23/77/320332377.db2.gz GYCWTEGPEVQFBM-ZACQAIPSSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@H+]1CCCC[C@H]1C ZINC000457700086 320332378 /nfs/dbraw/zinc/33/23/78/320332378.db2.gz GYCWTEGPEVQFBM-ZACQAIPSSA-N 2 1 340.512 1.395 20 0 EDADMP CCN1CC[NH+](CCC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000291017312 443734406 /nfs/dbraw/zinc/73/44/06/443734406.db2.gz DYWRDGUUATWIKI-UHFFFAOYSA-N 2 1 332.448 1.135 20 0 EDADMP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298352187 443752269 /nfs/dbraw/zinc/75/22/69/443752269.db2.gz JVIHFPGRHNBYFE-QGZVFWFLSA-N 2 1 343.519 1.809 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccoc1 ZINC000285011860 443821189 /nfs/dbraw/zinc/82/11/89/443821189.db2.gz AEVRWCRPIAQILG-AWEZNQCLSA-N 2 1 329.466 1.316 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000276726056 443803961 /nfs/dbraw/zinc/80/39/61/443803961.db2.gz YBPSLCDEIBPNIQ-UHFFFAOYSA-N 2 1 331.460 1.169 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccn(C)c1 ZINC000277161345 443923685 /nfs/dbraw/zinc/92/36/85/443923685.db2.gz XBROUTKPVBULKA-GFOMBABLSA-N 2 1 332.492 1.913 20 0 EDADMP CCOC[C@@H](O)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285404651 443972504 /nfs/dbraw/zinc/97/25/04/443972504.db2.gz BCCQCDSZBHNARG-UXHICEINSA-N 2 1 347.503 1.276 20 0 EDADMP CCOC[C@@H](O)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285404651 443972509 /nfs/dbraw/zinc/97/25/09/443972509.db2.gz BCCQCDSZBHNARG-UXHICEINSA-N 2 1 347.503 1.276 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000299307396 444013275 /nfs/dbraw/zinc/01/32/75/444013275.db2.gz DSCILAITIPZIEC-UHFFFAOYSA-N 2 1 332.492 1.390 20 0 EDADMP CC(C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000299307396 444013278 /nfs/dbraw/zinc/01/32/78/444013278.db2.gz DSCILAITIPZIEC-UHFFFAOYSA-N 2 1 332.492 1.390 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000299307396 444013283 /nfs/dbraw/zinc/01/32/83/444013283.db2.gz DSCILAITIPZIEC-UHFFFAOYSA-N 2 1 332.492 1.390 20 0 EDADMP CC(C)[NH2+]CCC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000554288139 320951189 /nfs/dbraw/zinc/95/11/89/320951189.db2.gz MYABFNGWVGVHLI-UHFFFAOYSA-N 2 1 336.455 1.452 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ncnn2-c2ccccc2)CC1 ZINC000281989865 444056036 /nfs/dbraw/zinc/05/60/36/444056036.db2.gz MRFCXZUUBOEITI-MRXNPFEDSA-N 2 1 343.475 1.792 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncnn2-c2ccccc2)CC1 ZINC000281989865 444056040 /nfs/dbraw/zinc/05/60/40/444056040.db2.gz MRFCXZUUBOEITI-MRXNPFEDSA-N 2 1 343.475 1.792 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000299480203 444057867 /nfs/dbraw/zinc/05/78/67/444057867.db2.gz JRGSPHALPUZMIH-MRXNPFEDSA-N 2 1 333.411 1.933 20 0 EDADMP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000562293965 321050293 /nfs/dbraw/zinc/05/02/93/321050293.db2.gz PSIQMNKFYIXPBY-ROUUACIJSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@@H+]1CCO ZINC000562772873 321076164 /nfs/dbraw/zinc/07/61/64/321076164.db2.gz ATOIBPLCKADVLM-GFCCVEGCSA-N 2 1 336.411 1.002 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000563213143 321100748 /nfs/dbraw/zinc/10/07/48/321100748.db2.gz QICHWWNYRMICQM-UHFFFAOYSA-N 3 1 325.416 1.544 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCO[C@H](C)C3)CC2)CC1 ZINC000563375281 321106354 /nfs/dbraw/zinc/10/63/54/321106354.db2.gz FVFCAJRCNZTANK-MRXNPFEDSA-N 2 1 337.508 1.820 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000563886027 321114593 /nfs/dbraw/zinc/11/45/93/321114593.db2.gz ZYVAIZPVYVSPQL-SJORKVTESA-N 2 1 346.475 1.170 20 0 EDADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000563960012 321117767 /nfs/dbraw/zinc/11/77/67/321117767.db2.gz MHQFRONHDIDJAA-LXZKKBNFSA-N 2 1 349.479 1.619 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC000564857505 321151963 /nfs/dbraw/zinc/15/19/63/321151963.db2.gz UVFNDSLINJNOIL-LJQANCHMSA-N 2 1 347.503 1.512 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000565184015 321174424 /nfs/dbraw/zinc/17/44/24/321174424.db2.gz ZQCZCCAQMMYBKD-MRXNPFEDSA-N 2 1 335.496 1.829 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1)C(C)C ZINC000567835322 321260460 /nfs/dbraw/zinc/26/04/60/321260460.db2.gz JAZNCSROLXMGKM-UHFFFAOYSA-N 2 1 346.475 1.079 20 0 EDADMP C[C@@H](C(=O)NCc1cccs1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289458542 444149799 /nfs/dbraw/zinc/14/97/99/444149799.db2.gz PWLBAEPURCBZHO-HNNXBMFYSA-N 2 1 340.537 1.568 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000301444121 444172114 /nfs/dbraw/zinc/17/21/14/444172114.db2.gz JLMOKEOFVDJVIE-HZPDHXFCSA-N 2 1 333.480 1.748 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](O)CC(C)(C)C1)c1ccccc1 ZINC000296164175 444209045 /nfs/dbraw/zinc/20/90/45/444209045.db2.gz SYKCBOZKRNFCKY-ZWKOTPCHSA-N 2 1 347.503 1.888 20 0 EDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000574787026 321501998 /nfs/dbraw/zinc/50/19/98/321501998.db2.gz LBWJDQZBSXFZKZ-CABCVRRESA-N 2 1 336.505 1.745 20 0 EDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289849193 444211087 /nfs/dbraw/zinc/21/10/87/444211087.db2.gz RCECNLHXBLPHLV-WBMJQRKESA-N 2 1 325.478 1.641 20 0 EDADMP O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2)N1CCN(Cc2ccccc2)CC1 ZINC000289646843 444185918 /nfs/dbraw/zinc/18/59/18/444185918.db2.gz XDRUAWKDHXFVKX-HDICACEKSA-N 2 1 341.455 1.527 20 0 EDADMP CO[C@H]1C[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C12CCC2 ZINC000576563386 321576607 /nfs/dbraw/zinc/57/66/07/321576607.db2.gz QDQMSZKWROMNBD-HOTGVXAUSA-N 2 1 331.464 1.276 20 0 EDADMP COC(=O)COC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000296520947 444236437 /nfs/dbraw/zinc/23/64/37/444236437.db2.gz SCEJCFHEHOTYIJ-MRXNPFEDSA-N 2 1 349.475 1.102 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)CN2CCOCC2)C1 ZINC000304018861 444240174 /nfs/dbraw/zinc/24/01/74/444240174.db2.gz WYTHSFZOQVGBOY-CEXWTWQISA-N 2 1 339.524 1.266 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)CN2CCOCC2)C1 ZINC000304018861 444240177 /nfs/dbraw/zinc/24/01/77/444240177.db2.gz WYTHSFZOQVGBOY-CEXWTWQISA-N 2 1 339.524 1.266 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000304018861 444240178 /nfs/dbraw/zinc/24/01/78/444240178.db2.gz WYTHSFZOQVGBOY-CEXWTWQISA-N 2 1 339.524 1.266 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000304018861 444240180 /nfs/dbraw/zinc/24/01/80/444240180.db2.gz WYTHSFZOQVGBOY-CEXWTWQISA-N 2 1 339.524 1.266 20 0 EDADMP CN(Cc1cccs1)C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000317504003 444315801 /nfs/dbraw/zinc/31/58/01/444315801.db2.gz GSAZBHFSHRFXLI-UHFFFAOYSA-N 2 1 325.478 1.536 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000577606426 321666738 /nfs/dbraw/zinc/66/67/38/321666738.db2.gz IZPJJKUQMFKTFR-GVDBMIGSSA-N 2 1 338.496 1.400 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000297173098 444277413 /nfs/dbraw/zinc/27/74/13/444277413.db2.gz UANCYNLUBLFHIF-SFHVURJKSA-N 2 1 342.443 1.599 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000297173098 444277415 /nfs/dbraw/zinc/27/74/15/444277415.db2.gz UANCYNLUBLFHIF-SFHVURJKSA-N 2 1 342.443 1.599 20 0 EDADMP CC[C@H]1CN(C(=O)NCc2ccc3c[nH+]cn3c2)CC[N@H+]1C[C@H](C)O ZINC000297569648 444302897 /nfs/dbraw/zinc/30/28/97/444302897.db2.gz QLVNRMOIPBVAML-HOCLYGCPSA-N 2 1 345.447 1.321 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CCSC1 ZINC000339980050 444347121 /nfs/dbraw/zinc/34/71/21/444347121.db2.gz ZPCHVWPIQNZJAC-ZBFHGGJFSA-N 2 1 341.521 1.041 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000579255921 321910419 /nfs/dbraw/zinc/91/04/19/321910419.db2.gz URUYOFMZBNKJMU-ZBFHGGJFSA-N 2 1 327.856 1.372 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4c(c3)oc(=O)n4C)C2)CC1 ZINC000340564116 444440007 /nfs/dbraw/zinc/44/00/07/444440007.db2.gz UNAMKIULJSOQBG-INIZCTEOSA-N 2 1 344.459 1.343 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)[C@@H](C)C1 ZINC000331939265 444492150 /nfs/dbraw/zinc/49/21/50/444492150.db2.gz DZYVTFWFZKZGOQ-VGDUNAEUSA-N 2 1 347.507 1.568 20 0 EDADMP CCN1CCC([NH+]2CCC(C(=O)NCC[N@@H+](C)C(C)C)CC2)CC1 ZINC000580462855 322055193 /nfs/dbraw/zinc/05/51/93/322055193.db2.gz ANSVELVBHDZHNZ-UHFFFAOYSA-N 2 1 338.540 1.639 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[N@H+](C)C(C)C)CC2)CC1 ZINC000580462855 322055194 /nfs/dbraw/zinc/05/51/94/322055194.db2.gz ANSVELVBHDZHNZ-UHFFFAOYSA-N 3 1 338.540 1.639 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[N@@H+](C)C(C)C)CC2)CC1 ZINC000580462855 322055196 /nfs/dbraw/zinc/05/51/96/322055196.db2.gz ANSVELVBHDZHNZ-UHFFFAOYSA-N 3 1 338.540 1.639 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000581001235 322122671 /nfs/dbraw/zinc/12/26/71/322122671.db2.gz HNPUOOKLQPDZEV-NJAFHUGGSA-N 2 1 345.491 1.106 20 0 EDADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000581241362 322153033 /nfs/dbraw/zinc/15/30/33/322153033.db2.gz JQYRYLFFNNIWME-GJZGRUSLSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)[NH2+]CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000581381595 322171514 /nfs/dbraw/zinc/17/15/14/322171514.db2.gz NPJARAAXFUSPQM-OAHLLOKOSA-N 2 1 332.448 1.320 20 0 EDADMP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000332596359 444521478 /nfs/dbraw/zinc/52/14/78/444521478.db2.gz HVNGCYPKWPLMDE-KLHDSHLOSA-N 2 1 329.510 1.311 20 0 EDADMP CC(C)COC[C@@H](O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343707947 444534699 /nfs/dbraw/zinc/53/46/99/444534699.db2.gz CAPJPEOVQJBDRR-AEFFLSMTSA-N 2 1 327.513 1.120 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000332852820 444573279 /nfs/dbraw/zinc/57/32/79/444573279.db2.gz XONVBVNTGYFFDH-IKGGRYGDSA-N 2 1 338.496 1.148 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC[N@H+]1C ZINC000341009034 444628560 /nfs/dbraw/zinc/62/85/60/444628560.db2.gz DTHOQFWYUAETAG-BPQIPLTHSA-N 2 1 332.492 1.941 20 0 EDADMP CC[C@@]1(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)CCC[NH2+]1 ZINC000343794935 444595829 /nfs/dbraw/zinc/59/58/29/444595829.db2.gz TUWNWNNFFYSVHB-IBGZPJMESA-N 2 1 336.524 1.585 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000343797169 444598246 /nfs/dbraw/zinc/59/82/46/444598246.db2.gz LJRVOQPNPXUANH-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000343797169 444598251 /nfs/dbraw/zinc/59/82/51/444598251.db2.gz LJRVOQPNPXUANH-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000343797169 444598256 /nfs/dbraw/zinc/59/82/56/444598256.db2.gz LJRVOQPNPXUANH-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000338312971 444625713 /nfs/dbraw/zinc/62/57/13/444625713.db2.gz GALIDZVBFPFGQV-HOTGVXAUSA-N 2 1 329.510 1.218 20 0 EDADMP CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000338312971 444625717 /nfs/dbraw/zinc/62/57/17/444625717.db2.gz GALIDZVBFPFGQV-HOTGVXAUSA-N 2 1 329.510 1.218 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000343894620 444651451 /nfs/dbraw/zinc/65/14/51/444651451.db2.gz VEGKGVVATJPCFD-HZPDHXFCSA-N 2 1 339.480 1.252 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C[C@H](C)O1 ZINC000333149608 444643083 /nfs/dbraw/zinc/64/30/83/444643083.db2.gz FCJLZRMJMGOFGO-BYNSBNAKSA-N 2 1 326.485 1.171 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C[C@H](C)O1 ZINC000333149608 444643087 /nfs/dbraw/zinc/64/30/87/444643087.db2.gz FCJLZRMJMGOFGO-BYNSBNAKSA-N 2 1 326.485 1.171 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000342349064 444646680 /nfs/dbraw/zinc/64/66/80/444646680.db2.gz QKRSJIOTSUPBGW-YJBOKZPZSA-N 2 1 345.491 1.638 20 0 EDADMP C[C@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000333587477 444683447 /nfs/dbraw/zinc/68/34/47/444683447.db2.gz OEHOLWTUHZZKBL-GJZGRUSLSA-N 2 1 336.480 1.023 20 0 EDADMP Cc1nc(CN2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)oc1C ZINC000342549520 444740704 /nfs/dbraw/zinc/74/07/04/444740704.db2.gz WFSMBROGYNHIKH-SUMWQHHRSA-N 2 1 348.491 1.817 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)oc1C ZINC000342549520 444740705 /nfs/dbraw/zinc/74/07/05/444740705.db2.gz WFSMBROGYNHIKH-SUMWQHHRSA-N 2 1 348.491 1.817 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)oc1C ZINC000342549520 444740708 /nfs/dbraw/zinc/74/07/08/444740708.db2.gz WFSMBROGYNHIKH-SUMWQHHRSA-N 2 1 348.491 1.817 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+](CC)CC)C[C@H]1CC ZINC000342647898 444795156 /nfs/dbraw/zinc/79/51/56/444795156.db2.gz FHAIDJFDHCFRGE-DLBZAZTESA-N 2 1 342.528 1.859 20 0 EDADMP C[N@H+](CCOc1ccc(Cl)cc1Br)C[C@H](O)C[NH3+] ZINC000336796796 444796998 /nfs/dbraw/zinc/79/69/98/444796998.db2.gz VXCBRDGWBMOMTO-SNVBAGLBSA-N 2 1 337.645 1.733 20 0 EDADMP C[N@@H+](CCOc1ccc(Cl)cc1Br)C[C@H](O)C[NH3+] ZINC000336796796 444797003 /nfs/dbraw/zinc/79/70/03/444797003.db2.gz VXCBRDGWBMOMTO-SNVBAGLBSA-N 2 1 337.645 1.733 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)Cc1ccccc1 ZINC000342686176 444813985 /nfs/dbraw/zinc/81/39/85/444813985.db2.gz AAYWSZMAKDBHKU-LSDHHAIUSA-N 2 1 325.403 1.520 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)CCC[N@H+]1C ZINC000341444271 444835334 /nfs/dbraw/zinc/83/53/34/444835334.db2.gz ZBSCLZOOJZJOQS-GOEBONIOSA-N 2 1 349.479 1.304 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342766207 444855923 /nfs/dbraw/zinc/85/59/23/444855923.db2.gz SQAFTIQEJUMYAX-GJZGRUSLSA-N 2 1 325.403 1.520 20 0 EDADMP C[C@H]1OCC[NH2+][C@H]1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000344442767 444974829 /nfs/dbraw/zinc/97/48/29/444974829.db2.gz PGCAPOMZMDMGRG-RHSMWYFYSA-N 2 1 335.448 1.010 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000341668057 444940875 /nfs/dbraw/zinc/94/08/75/444940875.db2.gz VGDSUUDCTFGGSR-IAGOWNOFSA-N 2 1 325.497 1.581 20 0 EDADMP CC[C@H](O)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000339015156 444986222 /nfs/dbraw/zinc/98/62/22/444986222.db2.gz YUVHNJQXTMIYBL-IBGZPJMESA-N 2 1 347.503 1.718 20 0 EDADMP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000339065202 445015715 /nfs/dbraw/zinc/01/57/15/445015715.db2.gz CMXMWDSNSUBLQQ-IAGOWNOFSA-N 2 1 331.460 1.918 20 0 EDADMP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000339065202 445015718 /nfs/dbraw/zinc/01/57/18/445015718.db2.gz CMXMWDSNSUBLQQ-IAGOWNOFSA-N 2 1 331.460 1.918 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000337367588 445051022 /nfs/dbraw/zinc/05/10/22/445051022.db2.gz MWJIWIKLUIXQJG-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000337367588 445051026 /nfs/dbraw/zinc/05/10/26/445051026.db2.gz MWJIWIKLUIXQJG-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000341888023 445054053 /nfs/dbraw/zinc/05/40/53/445054053.db2.gz OMYRXEHDVHBJIK-JFIYKMOQSA-N 2 1 335.492 1.430 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000341918936 445072046 /nfs/dbraw/zinc/07/20/46/445072046.db2.gz GRMJILZQMHRBPB-BPQIPLTHSA-N 2 1 346.475 1.231 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)CC[N@H+](C2CCC2)C1 ZINC000344742267 445139288 /nfs/dbraw/zinc/13/92/88/445139288.db2.gz PBTRCAMLMUPNBO-APWZRJJASA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@]12CCOC2)c1ccccc1 ZINC000341962192 445097618 /nfs/dbraw/zinc/09/76/18/445097618.db2.gz HBUZAAGJFDURMB-HKUYNNGSSA-N 2 1 331.460 1.660 20 0 EDADMP CCOc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342081616 445161777 /nfs/dbraw/zinc/16/17/77/445161777.db2.gz HFOFUHWANOFGDK-SZMVWBNQSA-N 2 1 331.460 1.761 20 0 EDADMP CCOc1cccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342081616 445161779 /nfs/dbraw/zinc/16/17/79/445161779.db2.gz HFOFUHWANOFGDK-SZMVWBNQSA-N 2 1 331.460 1.761 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342094214 445168591 /nfs/dbraw/zinc/16/85/91/445168591.db2.gz FASZTTLSXFYDSO-BSWAZPDLSA-N 2 1 344.459 1.460 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)COc1ccc(F)cc1 ZINC000343272798 445171839 /nfs/dbraw/zinc/17/18/39/445171839.db2.gz VCSDKYQPOOMQTO-DDBAPUKQSA-N 2 1 338.423 1.312 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342100393 445172299 /nfs/dbraw/zinc/17/22/99/445172299.db2.gz KDMACEMMRCQJSC-OTWHNJEPSA-N 2 1 345.487 1.899 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342100393 445172300 /nfs/dbraw/zinc/17/23/00/445172300.db2.gz KDMACEMMRCQJSC-OTWHNJEPSA-N 2 1 345.487 1.899 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1)C(C)C ZINC000339919833 445182969 /nfs/dbraw/zinc/18/29/69/445182969.db2.gz GKRACAOHHGGFPK-UHFFFAOYSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)C(C)C ZINC000342069849 445155750 /nfs/dbraw/zinc/15/57/50/445155750.db2.gz YNWQIPJCDHEOJB-HNNXBMFYSA-N 2 1 340.512 1.163 20 0 EDADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)OCCO2 ZINC000346084262 445205850 /nfs/dbraw/zinc/20/58/50/445205850.db2.gz CMHPFSJESFSQOO-GDBMZVCRSA-N 2 1 347.459 1.696 20 0 EDADMP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000343374839 445212208 /nfs/dbraw/zinc/21/22/08/445212208.db2.gz UTAVDZALGDGXGV-LZLYRXPVSA-N 2 1 336.480 1.324 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCSC1 ZINC000343398486 445215917 /nfs/dbraw/zinc/21/59/17/445215917.db2.gz JUVAVXREUHRCQR-QGZVFWFLSA-N 2 1 348.516 1.600 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1=O ZINC000343410804 445217742 /nfs/dbraw/zinc/21/77/42/445217742.db2.gz SDOGHKQJSSHLDI-SJORKVTESA-N 2 1 345.491 1.448 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)[N@H+](C)C1 ZINC000346699257 445223846 /nfs/dbraw/zinc/22/38/46/445223846.db2.gz CJJGDUOEVLJHDB-KZNAEPCWSA-N 2 1 333.476 1.337 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)[N@@H+](C)C1 ZINC000346699257 445223847 /nfs/dbraw/zinc/22/38/47/445223847.db2.gz CJJGDUOEVLJHDB-KZNAEPCWSA-N 2 1 333.476 1.337 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)[NH+](C)C1 ZINC000347563787 445242437 /nfs/dbraw/zinc/24/24/37/445242437.db2.gz NTPOPGRISFMLDS-GVDBMIGSSA-N 2 1 340.512 1.325 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)[N@H+](C)C1 ZINC000347563787 445242439 /nfs/dbraw/zinc/24/24/39/445242439.db2.gz NTPOPGRISFMLDS-GVDBMIGSSA-N 2 1 340.512 1.325 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)[N@@H+](C)C1 ZINC000347563787 445242441 /nfs/dbraw/zinc/24/24/41/445242441.db2.gz NTPOPGRISFMLDS-GVDBMIGSSA-N 2 1 340.512 1.325 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347702293 445245234 /nfs/dbraw/zinc/24/52/34/445245234.db2.gz MIYBQLQGPHCSBL-BBWFWOEESA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCSCC[C@H]2C)C1 ZINC000348187995 445310496 /nfs/dbraw/zinc/31/04/96/445310496.db2.gz QVPWXODBKAUGFQ-HZPDHXFCSA-N 2 1 343.537 1.287 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCSCC[C@H]2C)C1 ZINC000348187995 445310497 /nfs/dbraw/zinc/31/04/97/445310497.db2.gz QVPWXODBKAUGFQ-HZPDHXFCSA-N 2 1 343.537 1.287 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCSCC[C@H]2C)C1 ZINC000348187995 445310499 /nfs/dbraw/zinc/31/04/99/445310499.db2.gz QVPWXODBKAUGFQ-HZPDHXFCSA-N 2 1 343.537 1.287 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000351767214 445314131 /nfs/dbraw/zinc/31/41/31/445314131.db2.gz FOUJHOIEHSOXFO-SOLBZPMBSA-N 2 1 340.512 1.205 20 0 EDADMP CCOC(=O)COCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000351722011 445292779 /nfs/dbraw/zinc/29/27/79/445292779.db2.gz VSKJWJWRTDNSFH-UHFFFAOYSA-N 2 1 341.496 1.057 20 0 EDADMP Cc1nc2c(n1[C@@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C1)CCCC2 ZINC000351824701 445334545 /nfs/dbraw/zinc/33/45/45/445334545.db2.gz SEPQWLUBQBDOJV-CQSZACIVSA-N 2 1 340.493 1.209 20 0 EDADMP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000351849730 445342695 /nfs/dbraw/zinc/34/26/95/445342695.db2.gz GYVRNZVCGRQNCY-RDJZCZTQSA-N 2 1 333.476 1.974 20 0 EDADMP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000351849730 445342698 /nfs/dbraw/zinc/34/26/98/445342698.db2.gz GYVRNZVCGRQNCY-RDJZCZTQSA-N 2 1 333.476 1.974 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000351850550 445343069 /nfs/dbraw/zinc/34/30/69/445343069.db2.gz IUHMMZZEDSDBJA-HOSILWTGSA-N 2 1 347.459 1.693 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000351850550 445343071 /nfs/dbraw/zinc/34/30/71/445343071.db2.gz IUHMMZZEDSDBJA-HOSILWTGSA-N 2 1 347.459 1.693 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000351862899 445346472 /nfs/dbraw/zinc/34/64/72/445346472.db2.gz RRHBGEZMQLCXFL-UONOGXRCSA-N 2 1 339.867 1.846 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000351862899 445346474 /nfs/dbraw/zinc/34/64/74/445346474.db2.gz RRHBGEZMQLCXFL-UONOGXRCSA-N 2 1 339.867 1.846 20 0 EDADMP CC[C@@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)O1 ZINC000362506728 445416812 /nfs/dbraw/zinc/41/68/12/445416812.db2.gz NISLXNNZMXKMEQ-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362554605 445436839 /nfs/dbraw/zinc/43/68/39/445436839.db2.gz YXCUGMCJWCSPJY-KGLIPLIRSA-N 2 1 333.480 1.727 20 0 EDADMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)CC1 ZINC000348937352 445448174 /nfs/dbraw/zinc/44/81/74/445448174.db2.gz VZKBHOOCXMJGQF-UHFFFAOYSA-N 2 1 347.507 1.693 20 0 EDADMP CCN1CC[NH+](CCC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000348947567 445451322 /nfs/dbraw/zinc/45/13/22/445451322.db2.gz JPLIMWGEYRSCRQ-UHFFFAOYSA-N 2 1 338.540 1.786 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c(Cl)cnn1C ZINC000349036242 445483793 /nfs/dbraw/zinc/48/37/93/445483793.db2.gz ODCHFWQITYDKQP-AWEZNQCLSA-N 2 1 327.904 1.921 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCOC2C[NH2+]C2)cc1 ZINC000348988601 445467235 /nfs/dbraw/zinc/46/72/35/445467235.db2.gz BIFJCMLRQOWWDJ-ZDUSSCGKSA-N 2 1 328.416 1.736 20 0 EDADMP [NH3+]CCC[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)CC1CCCC1 ZINC000352505103 445534093 /nfs/dbraw/zinc/53/40/93/445534093.db2.gz XUDASGJSPXZTRK-UHFFFAOYSA-N 2 1 344.459 1.813 20 0 EDADMP [NH3+]CCC[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)CC1CCCC1 ZINC000352505103 445534095 /nfs/dbraw/zinc/53/40/95/445534095.db2.gz XUDASGJSPXZTRK-UHFFFAOYSA-N 2 1 344.459 1.813 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357235137 445497630 /nfs/dbraw/zinc/49/76/30/445497630.db2.gz VMUSZFKTCUAJCS-GOEBONIOSA-N 2 1 349.479 1.029 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357235137 445497633 /nfs/dbraw/zinc/49/76/33/445497633.db2.gz VMUSZFKTCUAJCS-GOEBONIOSA-N 2 1 349.479 1.029 20 0 EDADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000349082044 445498925 /nfs/dbraw/zinc/49/89/25/445498925.db2.gz LCFGVGOLWNVTIS-INIZCTEOSA-N 2 1 325.497 1.414 20 0 EDADMP O=C1CNCCN1[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000362697676 445505166 /nfs/dbraw/zinc/50/51/66/445505166.db2.gz LEPJIGVOJZAUAJ-GOSISDBHSA-N 2 1 339.443 1.269 20 0 EDADMP O=C1CNCCN1[C@@H]1CCC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000362697855 445505483 /nfs/dbraw/zinc/50/54/83/445505483.db2.gz LRRXOBIEFGMUQZ-CQSZACIVSA-N 2 1 334.489 1.807 20 0 EDADMP O=C1CNCCN1[C@@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000362697855 445505488 /nfs/dbraw/zinc/50/54/88/445505488.db2.gz LRRXOBIEFGMUQZ-CQSZACIVSA-N 2 1 334.489 1.807 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362807067 445558496 /nfs/dbraw/zinc/55/84/96/445558496.db2.gz FSZFOIYFAOBKAQ-IAGOWNOFSA-N 2 1 345.491 1.802 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([NH+](C)CCO)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000356046216 445589342 /nfs/dbraw/zinc/58/93/42/445589342.db2.gz MQOGLKWUGMLBDT-LZLYRXPVSA-N 2 1 333.476 1.420 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000356046216 445589351 /nfs/dbraw/zinc/58/93/51/445589351.db2.gz MQOGLKWUGMLBDT-LZLYRXPVSA-N 2 1 333.476 1.420 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000356046216 445589353 /nfs/dbraw/zinc/58/93/53/445589353.db2.gz MQOGLKWUGMLBDT-LZLYRXPVSA-N 2 1 333.476 1.420 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000362843845 445577267 /nfs/dbraw/zinc/57/72/67/445577267.db2.gz RKDQLNLFVJHLHV-KRWDZBQOSA-N 2 1 340.512 1.469 20 0 EDADMP C[NH+]1CCC(n2ccc(NC(=O)[C@@H]3CCCc4[nH+]ccn43)n2)CC1 ZINC000356034614 445581196 /nfs/dbraw/zinc/58/11/96/445581196.db2.gz ICXZONSZFWMASP-AWEZNQCLSA-N 2 1 328.420 1.862 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCOCC2)CC[N@H+]1C ZINC000362857135 445582853 /nfs/dbraw/zinc/58/28/53/445582853.db2.gz VFULIDDFNUQHMM-HNNXBMFYSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000353433199 445599585 /nfs/dbraw/zinc/59/95/85/445599585.db2.gz PEIBTLNZENSGPY-ROUUACIJSA-N 2 1 338.540 1.782 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000349526276 445605374 /nfs/dbraw/zinc/60/53/74/445605374.db2.gz QAIHISLZDWVPSY-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000353453195 445608765 /nfs/dbraw/zinc/60/87/65/445608765.db2.gz DXCMCPIZWSKQBX-CXAGYDPISA-N 2 1 329.444 1.991 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358515642 445627295 /nfs/dbraw/zinc/62/72/95/445627295.db2.gz MYQYJSVGLDBNCP-UHFFFAOYSA-N 2 1 331.460 1.566 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521996 445631144 /nfs/dbraw/zinc/63/11/44/445631144.db2.gz ZGFAJNYXQWLEST-OAHLLOKOSA-N 2 1 344.459 1.476 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000357922202 445593856 /nfs/dbraw/zinc/59/38/56/445593856.db2.gz RICKYDPRCUQXGE-UXLLHSPISA-N 2 1 336.480 1.141 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000357922202 445593860 /nfs/dbraw/zinc/59/38/60/445593860.db2.gz RICKYDPRCUQXGE-UXLLHSPISA-N 2 1 336.480 1.141 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000349682515 445644382 /nfs/dbraw/zinc/64/43/82/445644382.db2.gz BTJVYEPUZWWQLG-SJORKVTESA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)C1 ZINC000349682515 445644383 /nfs/dbraw/zinc/64/43/83/445644383.db2.gz BTJVYEPUZWWQLG-SJORKVTESA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)C1 ZINC000349682515 445644384 /nfs/dbraw/zinc/64/43/84/445644384.db2.gz BTJVYEPUZWWQLG-SJORKVTESA-N 2 1 340.512 1.325 20 0 EDADMP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000358580317 445660554 /nfs/dbraw/zinc/66/05/54/445660554.db2.gz MSLWDVAALPSABG-QGZVFWFLSA-N 2 1 348.491 1.863 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)N(C)C ZINC000349780675 445676018 /nfs/dbraw/zinc/67/60/18/445676018.db2.gz XIHGJVFOAYFQIZ-RDJZCZTQSA-N 2 1 346.475 1.788 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000349780675 445676020 /nfs/dbraw/zinc/67/60/20/445676020.db2.gz XIHGJVFOAYFQIZ-RDJZCZTQSA-N 2 1 346.475 1.788 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CC[NH2+][C@H](C)C1 ZINC000358693947 445721260 /nfs/dbraw/zinc/72/12/60/445721260.db2.gz QZOSQBSABCBZGD-IKGGRYGDSA-N 2 1 345.491 1.096 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000358698500 445725135 /nfs/dbraw/zinc/72/51/35/445725135.db2.gz XCSWHUNIUVLXEZ-DOTOQJQBSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358698500 445725138 /nfs/dbraw/zinc/72/51/38/445725138.db2.gz XCSWHUNIUVLXEZ-DOTOQJQBSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358698500 445725142 /nfs/dbraw/zinc/72/51/42/445725142.db2.gz XCSWHUNIUVLXEZ-DOTOQJQBSA-N 2 1 326.485 1.007 20 0 EDADMP Cc1nc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc(N(C)C)n1 ZINC000360876974 445737179 /nfs/dbraw/zinc/73/71/79/445737179.db2.gz MPDLLTLNCPVOCJ-BBRMVZONSA-N 2 1 326.448 2.178 20 0 EDADMP O=C(NC1CC[NH+](C2CC2)CC1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360982475 445742505 /nfs/dbraw/zinc/74/25/05/445742505.db2.gz CPQUJFQEOBTHGA-QGTPRVQTSA-N 2 1 332.492 1.739 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000350005255 445747318 /nfs/dbraw/zinc/74/73/18/445747318.db2.gz QKKXELXRNFFYIY-UHFFFAOYSA-N 2 1 347.507 1.442 20 0 EDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000361227284 445755249 /nfs/dbraw/zinc/75/52/49/445755249.db2.gz FPTNADMNIBZDJW-HUUCEWRRSA-N 2 1 327.266 1.819 20 0 EDADMP CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353944228 445822247 /nfs/dbraw/zinc/82/22/47/445822247.db2.gz QUASFJNKOKVEBV-KJFZJZGVSA-N 2 1 340.537 1.690 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000350198300 445791917 /nfs/dbraw/zinc/79/19/17/445791917.db2.gz AAVGEJVZNFRQQB-OAHLLOKOSA-N 2 1 339.505 1.797 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC000350198300 445791920 /nfs/dbraw/zinc/79/19/20/445791920.db2.gz AAVGEJVZNFRQQB-OAHLLOKOSA-N 2 1 339.505 1.797 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000356519908 445837688 /nfs/dbraw/zinc/83/76/88/445837688.db2.gz HIVFIFVGFZTFJI-CVEARBPZSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000356519908 445837691 /nfs/dbraw/zinc/83/76/91/445837691.db2.gz HIVFIFVGFZTFJI-CVEARBPZSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000356519908 445837693 /nfs/dbraw/zinc/83/76/93/445837693.db2.gz HIVFIFVGFZTFJI-CVEARBPZSA-N 2 1 340.512 1.070 20 0 EDADMP COc1cc2[nH+]c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)nc(N)c2cc1OC ZINC000363514981 445840258 /nfs/dbraw/zinc/84/02/58/445840258.db2.gz AMMHWCFYOXVGQK-NEPJUHHUSA-N 2 1 343.431 1.690 20 0 EDADMP COc1cc2[nH+]c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)nc(N)c2cc1OC ZINC000363514981 445840261 /nfs/dbraw/zinc/84/02/61/445840261.db2.gz AMMHWCFYOXVGQK-NEPJUHHUSA-N 2 1 343.431 1.690 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](C3CC3)C(C)(C)CO)cn2)CC1 ZINC000356533719 445845451 /nfs/dbraw/zinc/84/54/51/445845451.db2.gz UZMAOGBNHPJSPN-MRXNPFEDSA-N 2 1 333.480 1.115 20 0 EDADMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1ccccn1 ZINC000363534949 445848345 /nfs/dbraw/zinc/84/83/45/445848345.db2.gz OTWMUGPIOPBXHZ-UHFFFAOYSA-N 2 1 328.464 1.555 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1ccccn1 ZINC000363534949 445848347 /nfs/dbraw/zinc/84/83/47/445848347.db2.gz OTWMUGPIOPBXHZ-UHFFFAOYSA-N 2 1 328.464 1.555 20 0 EDADMP CN1C[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)Cc2ccccc21 ZINC000372932110 445928468 /nfs/dbraw/zinc/92/84/68/445928468.db2.gz ZUWMYEOWXFIIGC-MRXNPFEDSA-N 2 1 345.491 1.131 20 0 EDADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000359085910 445934270 /nfs/dbraw/zinc/93/42/70/445934270.db2.gz BWSIQTIRDPGKKT-HKUYNNGSSA-N 2 1 344.503 1.403 20 0 EDADMP Cc1c(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000361711795 445892980 /nfs/dbraw/zinc/89/29/80/445892980.db2.gz VJBXUMADHXNOSP-CZUORRHYSA-N 2 1 346.479 1.210 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000356626889 445895747 /nfs/dbraw/zinc/89/57/47/445895747.db2.gz FUFJAAGQJNLBNS-IYBDPMFKSA-N 2 1 340.512 1.659 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000372899832 445911758 /nfs/dbraw/zinc/91/17/58/445911758.db2.gz LWJAKSBXVLMACK-IIDMSEBBSA-N 2 1 334.464 1.620 20 0 EDADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000372999679 445968241 /nfs/dbraw/zinc/96/82/41/445968241.db2.gz NPEQMFHYPYJNNK-VMWRSERWSA-N 2 1 335.492 1.763 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000373011857 445975198 /nfs/dbraw/zinc/97/51/98/445975198.db2.gz WTQQBECKYCMTAP-GVDBMIGSSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000373011857 445975207 /nfs/dbraw/zinc/97/52/07/445975207.db2.gz WTQQBECKYCMTAP-GVDBMIGSSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000373011857 445975212 /nfs/dbraw/zinc/97/52/12/445975212.db2.gz WTQQBECKYCMTAP-GVDBMIGSSA-N 2 1 336.480 1.166 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)CCCOC)C[C@H]1C ZINC000361790680 445948997 /nfs/dbraw/zinc/94/89/97/445948997.db2.gz VPZZWBWTYAKURL-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP COCC[C@]1(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000373091809 446021706 /nfs/dbraw/zinc/02/17/06/446021706.db2.gz XUFWNQRPQRAMNJ-LJQANCHMSA-N 2 1 331.460 1.177 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@H]2CCCN(c3cc(C)nc(C)n3)C2)CC1 ZINC000369267425 446032028 /nfs/dbraw/zinc/03/20/28/446032028.db2.gz DADWAGJHXDWUMD-INIZCTEOSA-N 2 1 346.479 1.409 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC000351332621 446034411 /nfs/dbraw/zinc/03/44/11/446034411.db2.gz UBLLWBYWFCAFKS-LJQANCHMSA-N 2 1 332.492 1.951 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CN2CCOCC2)[C@@H](C)C1 ZINC000361893761 446046763 /nfs/dbraw/zinc/04/67/63/446046763.db2.gz ROKYCTSINSWVPN-FHWLQOOXSA-N 2 1 341.540 1.681 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000583371016 326059683 /nfs/dbraw/zinc/05/96/83/326059683.db2.gz PMEMLBSZBNZADQ-RYQLBKOJSA-N 2 1 330.476 1.855 20 0 EDADMP C[NH+](Cc1cncc(C[N@H+](C)CC(C)(C)CO)c1)CC(C)(C)CO ZINC000583913098 326163689 /nfs/dbraw/zinc/16/36/89/326163689.db2.gz KJWJOSRIERYWKT-UHFFFAOYSA-N 2 1 337.508 1.982 20 0 EDADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CS1 ZINC000365178879 446067564 /nfs/dbraw/zinc/06/75/64/446067564.db2.gz PBQVIDBVBZJSRG-IKGGRYGDSA-N 2 1 341.565 1.903 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351477144 446077511 /nfs/dbraw/zinc/07/75/11/446077511.db2.gz MKFDHIHWLGBSSS-WDSOQIARSA-N 2 1 345.487 1.899 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351477144 446077518 /nfs/dbraw/zinc/07/75/18/446077518.db2.gz MKFDHIHWLGBSSS-WDSOQIARSA-N 2 1 345.487 1.899 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000356931420 446136124 /nfs/dbraw/zinc/13/61/24/446136124.db2.gz XWYNYNOTDQVZLA-KRWDZBQOSA-N 2 1 329.444 1.639 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000356931420 446136129 /nfs/dbraw/zinc/13/61/29/446136129.db2.gz XWYNYNOTDQVZLA-KRWDZBQOSA-N 2 1 329.444 1.639 20 0 EDADMP CCc1ccc(C[NH+]2CCN(C[C@@H](O)C[N@H+](C)C3CC3)CC2)s1 ZINC000351515755 446117433 /nfs/dbraw/zinc/11/74/33/446117433.db2.gz UVKWMDHTGTUCRW-INIZCTEOSA-N 2 1 337.533 1.883 20 0 EDADMP CCc1ccc(C[NH+]2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)CC2)s1 ZINC000351515755 446117440 /nfs/dbraw/zinc/11/74/40/446117440.db2.gz UVKWMDHTGTUCRW-INIZCTEOSA-N 2 1 337.533 1.883 20 0 EDADMP COCCSCCC[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000373248131 446122145 /nfs/dbraw/zinc/12/21/45/446122145.db2.gz WLANTENKSIIART-KRWDZBQOSA-N 2 1 329.554 1.716 20 0 EDADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359368360 446177477 /nfs/dbraw/zinc/17/74/77/446177477.db2.gz SEOJHXUPSNBVET-DLBZAZTESA-N 2 1 328.460 1.797 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000359368360 446177482 /nfs/dbraw/zinc/17/74/82/446177482.db2.gz SEOJHXUPSNBVET-DLBZAZTESA-N 2 1 328.460 1.797 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000359368360 446177487 /nfs/dbraw/zinc/17/74/87/446177487.db2.gz SEOJHXUPSNBVET-DLBZAZTESA-N 2 1 328.460 1.797 20 0 EDADMP CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351580129 446177794 /nfs/dbraw/zinc/17/77/94/446177794.db2.gz CVJZKTAZPOKWSP-OAHLLOKOSA-N 2 1 325.478 1.463 20 0 EDADMP CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351580129 446177799 /nfs/dbraw/zinc/17/77/99/446177799.db2.gz CVJZKTAZPOKWSP-OAHLLOKOSA-N 2 1 325.478 1.463 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCCn3ccnc32)C[C@H](C)O1 ZINC000366492571 446236975 /nfs/dbraw/zinc/23/69/75/446236975.db2.gz IAHAHZALHLDEOL-OWCLPIDISA-N 2 1 349.479 1.559 20 0 EDADMP C[C@@H]1CN(CCCNC(=O)NC[C@H]2CCCn3ccnc32)C[C@H](C)O1 ZINC000366492571 446236980 /nfs/dbraw/zinc/23/69/80/446236980.db2.gz IAHAHZALHLDEOL-OWCLPIDISA-N 2 1 349.479 1.559 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=O)[C@]1([NH+](C)C)CCc2ccccc21 ZINC000365670835 446294647 /nfs/dbraw/zinc/29/46/47/446294647.db2.gz FXKSJXOAYHKOTF-FQEVSTJZSA-N 2 1 346.519 1.389 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)CC[NH2+]1 ZINC000373562580 446262103 /nfs/dbraw/zinc/26/21/03/446262103.db2.gz UTGJWJBQYYKMCL-QBYUYEEZSA-N 2 1 333.480 1.307 20 0 EDADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000366590885 446272643 /nfs/dbraw/zinc/27/26/43/446272643.db2.gz SMGUUQHPEQBFBL-ROUUACIJSA-N 2 1 331.460 1.659 20 0 EDADMP CCCCOC(=O)CC[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000362252552 446287093 /nfs/dbraw/zinc/28/70/93/446287093.db2.gz BACFGBPCHVRXAP-KRWDZBQOSA-N 2 1 325.497 1.679 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000417337869 446346838 /nfs/dbraw/zinc/34/68/38/446346838.db2.gz JLOGRGIDEFYEEW-KYJSFNMBSA-N 2 1 330.476 1.860 20 0 EDADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000362315698 446316753 /nfs/dbraw/zinc/31/67/53/446316753.db2.gz DEHJHONTCADAQQ-IBGZPJMESA-N 2 1 342.487 1.653 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000417337871 446347474 /nfs/dbraw/zinc/34/74/74/446347474.db2.gz JLOGRGIDEFYEEW-UWWQBHOKSA-N 2 1 330.476 1.860 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417593415 446366494 /nfs/dbraw/zinc/36/64/94/446366494.db2.gz ZSEYFFKCTPPJKF-AWEZNQCLSA-N 2 1 326.485 1.447 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCNCC2(F)F)C1 ZINC000417891142 446376235 /nfs/dbraw/zinc/37/62/35/446376235.db2.gz QNVSZEHYHHMPIH-KBPBESRZSA-N 2 1 332.439 1.508 20 0 EDADMP CC[C@H](NC(=O)NC[C@@H](C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417895522 446378714 /nfs/dbraw/zinc/37/87/14/446378714.db2.gz OPCIQFDFUQZIBG-RYQLBKOJSA-N 2 1 348.491 1.560 20 0 EDADMP CC[C@H](NC(=O)NC[C@@H](C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417895522 446378718 /nfs/dbraw/zinc/37/87/18/446378718.db2.gz OPCIQFDFUQZIBG-RYQLBKOJSA-N 2 1 348.491 1.560 20 0 EDADMP COC[C@@]1(CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000417912891 446383811 /nfs/dbraw/zinc/38/38/11/446383811.db2.gz PETLMJGKOJTGCI-AEFFLSMTSA-N 2 1 340.512 1.422 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[C@H]1c1ccccc1 ZINC000417946275 446394774 /nfs/dbraw/zinc/39/47/74/446394774.db2.gz RFHPTBPKPFGXOQ-XLAORIBOSA-N 2 1 328.460 1.825 20 0 EDADMP [NH3+]C1(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)Cc2ccccc2C1 ZINC000370770623 446428320 /nfs/dbraw/zinc/42/83/20/446428320.db2.gz DQMIXTXJAUIBDX-OKZBNKHCSA-N 2 1 325.456 1.425 20 0 EDADMP C[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418081894 446434619 /nfs/dbraw/zinc/43/46/19/446434619.db2.gz WCSWWPAOHRJGBD-DOTOQJQBSA-N 2 1 348.516 1.607 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418112836 446440417 /nfs/dbraw/zinc/44/04/17/446440417.db2.gz ZFKIZLLGZZPQGE-SQNIBIBYSA-N 2 1 330.476 1.935 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)CCC[NH3+])[C@@H]1c1ccccc1 ZINC000418184342 446451366 /nfs/dbraw/zinc/45/13/66/446451366.db2.gz PTWKJWWNECQWKZ-NJAFHUGGSA-N 2 1 348.491 1.875 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C)CCC[NH3+])[C@@H]1c1ccccc1 ZINC000418184342 446451370 /nfs/dbraw/zinc/45/13/70/446451370.db2.gz PTWKJWWNECQWKZ-NJAFHUGGSA-N 2 1 348.491 1.875 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000417988741 446409135 /nfs/dbraw/zinc/40/91/35/446409135.db2.gz IRSCHTNFBCFCJH-OLMNPRSZSA-N 2 1 346.475 1.193 20 0 EDADMP C[C@@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417988731 446409159 /nfs/dbraw/zinc/40/91/59/446409159.db2.gz HTTCEKHIUPLGCD-YSHGAJCASA-N 2 1 342.487 1.900 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000417994634 446410501 /nfs/dbraw/zinc/41/05/01/446410501.db2.gz OYLSWFGILRYUKM-MSOLQXFVSA-N 2 1 346.475 1.147 20 0 EDADMP C[C@H](NC(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418006683 446413593 /nfs/dbraw/zinc/41/35/93/446413593.db2.gz MOPBJNXEXNCDDP-SOLBZPMBSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418016369 446416761 /nfs/dbraw/zinc/41/67/61/446416761.db2.gz QZINCVLXBNSZQP-BVIKNXMNSA-N 2 1 330.476 1.899 20 0 EDADMP CCCC(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420297144 446459873 /nfs/dbraw/zinc/45/98/73/446459873.db2.gz FOOZENNTELQBRW-QYZOEREBSA-N 2 1 347.503 1.546 20 0 EDADMP C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CCC[NH3+])CC3)cc2NC1=O ZINC000420299488 446461164 /nfs/dbraw/zinc/46/11/64/446461164.db2.gz IUABSSXYZINCEJ-LBPRGKRZSA-N 2 1 331.416 1.650 20 0 EDADMP C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CC[C@@H]1CC[NH2+]C1 ZINC000420316641 446481514 /nfs/dbraw/zinc/48/15/14/446481514.db2.gz MWHLIAKSOAKWMS-HNNXBMFYSA-N 2 1 340.489 1.790 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000370842247 446475407 /nfs/dbraw/zinc/47/54/07/446475407.db2.gz FUTDJLKHGGGPAV-NXOAAHMSSA-N 2 1 338.496 1.221 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000370842247 446475416 /nfs/dbraw/zinc/47/54/16/446475416.db2.gz FUTDJLKHGGGPAV-NXOAAHMSSA-N 2 1 338.496 1.221 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000370842247 446475425 /nfs/dbraw/zinc/47/54/25/446475425.db2.gz FUTDJLKHGGGPAV-NXOAAHMSSA-N 2 1 338.496 1.221 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420312181 446476505 /nfs/dbraw/zinc/47/65/05/446476505.db2.gz RTAOYQOHGHCFAJ-DVOMOZLQSA-N 2 1 333.432 1.147 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420312181 446476507 /nfs/dbraw/zinc/47/65/07/446476507.db2.gz RTAOYQOHGHCFAJ-DVOMOZLQSA-N 2 1 333.432 1.147 20 0 EDADMP COC[C@H]1C[NH+](CCC(C)CC[N@H+]2CCO[C@@H](COC)C2)CCO1 ZINC000411302221 446479106 /nfs/dbraw/zinc/47/91/06/446479106.db2.gz ATIDDQIDHQXJKX-QZTJIDSGSA-N 2 1 344.496 1.097 20 0 EDADMP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420317514 446483422 /nfs/dbraw/zinc/48/34/22/446483422.db2.gz UUGQXPVSGYEMGU-AWEZNQCLSA-N 2 1 333.432 1.497 20 0 EDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423327355 446489838 /nfs/dbraw/zinc/48/98/38/446489838.db2.gz RJINXWKWEGLWJB-RDJZCZTQSA-N 2 1 340.512 1.009 20 0 EDADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423327355 446489840 /nfs/dbraw/zinc/48/98/40/446489840.db2.gz RJINXWKWEGLWJB-RDJZCZTQSA-N 2 1 340.512 1.009 20 0 EDADMP CCC[C@H](C(=O)NCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000367088569 446505007 /nfs/dbraw/zinc/50/50/07/446505007.db2.gz BYNZFURYTIRAIW-RTBURBONSA-N 2 1 346.519 1.822 20 0 EDADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1 ZINC000418341359 446506977 /nfs/dbraw/zinc/50/69/77/446506977.db2.gz DCORSMOLDAAIRV-YJBOKZPZSA-N 2 1 348.491 1.518 20 0 EDADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1 ZINC000418341359 446506984 /nfs/dbraw/zinc/50/69/84/446506984.db2.gz DCORSMOLDAAIRV-YJBOKZPZSA-N 2 1 348.491 1.518 20 0 EDADMP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420383020 446558278 /nfs/dbraw/zinc/55/82/78/446558278.db2.gz QHXJKMCQAGTCRF-INIZCTEOSA-N 2 1 343.431 1.655 20 0 EDADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1OC ZINC000423518433 446559278 /nfs/dbraw/zinc/55/92/78/446559278.db2.gz ORIPXGPZOLLWDQ-ZBFHGGJFSA-N 2 1 338.448 1.750 20 0 EDADMP CN(Cc1cccs1)C(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420385435 446560269 /nfs/dbraw/zinc/56/02/69/446560269.db2.gz GRZRTPDQEBGHMH-CVEARBPZSA-N 2 1 349.500 1.407 20 0 EDADMP CN(C(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000420385967 446560738 /nfs/dbraw/zinc/56/07/38/446560738.db2.gz HUJJVQYHTZGPLC-SJORKVTESA-N 2 1 329.444 1.350 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418483297 446560996 /nfs/dbraw/zinc/56/09/96/446560996.db2.gz ZAPGLGOSIOKVRT-MHORFTMASA-N 2 1 346.475 1.048 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000418484023 446561158 /nfs/dbraw/zinc/56/11/58/446561158.db2.gz ZPLHRUSNVUHPHE-MSOLQXFVSA-N 2 1 330.476 1.950 20 0 EDADMP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCCc1ccc(F)cc1 ZINC000420386339 446561573 /nfs/dbraw/zinc/56/15/73/446561573.db2.gz FOWRPWXEDCIJAK-AEFFLSMTSA-N 2 1 333.451 1.948 20 0 EDADMP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCCc1ccc(F)cc1 ZINC000420386339 446561580 /nfs/dbraw/zinc/56/15/80/446561580.db2.gz FOWRPWXEDCIJAK-AEFFLSMTSA-N 2 1 333.451 1.948 20 0 EDADMP CC[C@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000423395435 446517017 /nfs/dbraw/zinc/51/70/17/446517017.db2.gz SOJGVUGTOKMONP-GJZGRUSLSA-N 2 1 349.479 1.060 20 0 EDADMP CC[C@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000423395435 446517023 /nfs/dbraw/zinc/51/70/23/446517023.db2.gz SOJGVUGTOKMONP-GJZGRUSLSA-N 2 1 349.479 1.060 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418370128 446517941 /nfs/dbraw/zinc/51/79/41/446517941.db2.gz OYGYSXWAKAVPEI-DLBZAZTESA-N 3 1 339.528 1.186 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420345890 446519311 /nfs/dbraw/zinc/51/93/11/446519311.db2.gz VWWXYMLTNAMFES-GASCZTMLSA-N 2 1 338.473 1.400 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418398162 446527941 /nfs/dbraw/zinc/52/79/41/446527941.db2.gz KGNYVQYGBPHZOD-QZTJIDSGSA-N 2 1 345.491 1.815 20 0 EDADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N(Cc1ccccc1)C1CC1 ZINC000420350159 446528440 /nfs/dbraw/zinc/52/84/40/446528440.db2.gz RRHXJFFJGKSIFK-IBGZPJMESA-N 2 1 342.487 1.157 20 0 EDADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350741 446529017 /nfs/dbraw/zinc/52/90/17/446529017.db2.gz USAIDTMDHDHUQC-CJNGLKHVSA-N 2 1 336.867 1.647 20 0 EDADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350741 446529024 /nfs/dbraw/zinc/52/90/24/446529024.db2.gz USAIDTMDHDHUQC-CJNGLKHVSA-N 2 1 336.867 1.647 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000418414791 446535388 /nfs/dbraw/zinc/53/53/88/446535388.db2.gz MBSMDOLMURJYQT-INIZCTEOSA-N 2 1 336.484 1.011 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000418414791 446535394 /nfs/dbraw/zinc/53/53/94/446535394.db2.gz MBSMDOLMURJYQT-INIZCTEOSA-N 2 1 336.484 1.011 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000420354925 446536373 /nfs/dbraw/zinc/53/63/73/446536373.db2.gz DNOCHRLFQAYQDQ-CQSZACIVSA-N 2 1 341.402 1.882 20 0 EDADMP CC(CC[NH+]1CCSC[C@H]1CO)CC[N@H+]1CCSC[C@H]1CO ZINC000411432961 446538867 /nfs/dbraw/zinc/53/88/67/446538867.db2.gz XBLNCIXVLSKVCN-HZPDHXFCSA-N 2 1 348.578 1.222 20 0 EDADMP C[C@H](CCCc1cccnc1)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000453092351 446543528 /nfs/dbraw/zinc/54/35/28/446543528.db2.gz DKCAVBFMDWBUQP-AEFFLSMTSA-N 2 1 332.492 1.970 20 0 EDADMP CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCOCC[NH3+] ZINC000420368679 446545501 /nfs/dbraw/zinc/54/55/01/446545501.db2.gz IDEMEIHOCKYGES-APWZRJJASA-N 2 1 334.508 1.898 20 0 EDADMP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CCOCC1 ZINC000453202074 446550822 /nfs/dbraw/zinc/55/08/22/446550822.db2.gz YEUACLVVTHMDMV-APWZRJJASA-N 2 1 348.487 1.927 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000423634111 446617299 /nfs/dbraw/zinc/61/72/99/446617299.db2.gz MKZHXYQZBIRMFM-OALUTQOASA-N 2 1 344.503 1.403 20 0 EDADMP [NH3+]C1(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CCC1 ZINC000418510221 446573725 /nfs/dbraw/zinc/57/37/25/446573725.db2.gz NSDOYZQWGWQQHH-DLBZAZTESA-N 2 1 346.475 1.050 20 0 EDADMP O=C(NC[C@H]1CC[NH2+]C1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000418520853 446578947 /nfs/dbraw/zinc/57/89/47/446578947.db2.gz HYIKUHJXMQBNKI-IBGZPJMESA-N 2 1 344.503 1.946 20 0 EDADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC(F)(F)C[NH3+] ZINC000418521527 446580123 /nfs/dbraw/zinc/58/01/23/446580123.db2.gz GTJMJICKDUVPTC-UHFFFAOYSA-N 2 1 341.406 1.533 20 0 EDADMP C[C@H]1CC[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000420413807 446586618 /nfs/dbraw/zinc/58/66/18/446586618.db2.gz TUFVXBMJOPACHV-LSDHHAIUSA-N 2 1 340.489 1.776 20 0 EDADMP C[C@H]1CC[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000420413807 446586621 /nfs/dbraw/zinc/58/66/21/446586621.db2.gz TUFVXBMJOPACHV-LSDHHAIUSA-N 2 1 340.489 1.776 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418567930 446598225 /nfs/dbraw/zinc/59/82/25/446598225.db2.gz XCZITNIHAZOOFH-MAUKXSAKSA-N 2 1 334.464 1.002 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000418600349 446609348 /nfs/dbraw/zinc/60/93/48/446609348.db2.gz JLUZZKIBYIWYKS-CVEARBPZSA-N 3 1 327.517 1.042 20 0 EDADMP O[C@H](COCC(F)(F)F)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367927654 446609624 /nfs/dbraw/zinc/60/96/24/446609624.db2.gz QGIINVOVYVHRHL-AEGPPILISA-N 2 1 336.398 1.875 20 0 EDADMP O[C@H](COCC(F)(F)F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000367927654 446609629 /nfs/dbraw/zinc/60/96/29/446609629.db2.gz QGIINVOVYVHRHL-AEGPPILISA-N 2 1 336.398 1.875 20 0 EDADMP O[C@H](COCC(F)(F)F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000367927654 446609632 /nfs/dbraw/zinc/60/96/32/446609632.db2.gz QGIINVOVYVHRHL-AEGPPILISA-N 2 1 336.398 1.875 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000434278913 446637299 /nfs/dbraw/zinc/63/72/99/446637299.db2.gz GPYQXRUFSXCGQV-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000434278913 446637307 /nfs/dbraw/zinc/63/73/07/446637307.db2.gz GPYQXRUFSXCGQV-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418676790 446645497 /nfs/dbraw/zinc/64/54/97/446645497.db2.gz ZWSNRYHNNXYLCH-QAQDUYKDSA-N 2 1 340.512 1.504 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418690494 446648855 /nfs/dbraw/zinc/64/88/55/446648855.db2.gz XFBSOHOCWDOOKN-NRSFXHEJSA-N 2 1 328.460 1.620 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368122100 446654187 /nfs/dbraw/zinc/65/41/87/446654187.db2.gz JKBOOEBDKCCVOG-MSOLQXFVSA-N 2 1 343.471 1.536 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368122100 446654193 /nfs/dbraw/zinc/65/41/93/446654193.db2.gz JKBOOEBDKCCVOG-MSOLQXFVSA-N 2 1 343.471 1.536 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418707706 446654501 /nfs/dbraw/zinc/65/45/01/446654501.db2.gz BYVSSBSUZUFJKA-GJZGRUSLSA-N 2 1 326.485 1.256 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418707706 446654508 /nfs/dbraw/zinc/65/45/08/446654508.db2.gz BYVSSBSUZUFJKA-GJZGRUSLSA-N 2 1 326.485 1.256 20 0 EDADMP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000375256433 446674880 /nfs/dbraw/zinc/67/48/80/446674880.db2.gz RBCQKDNEEMDSME-FCGDIQPGSA-N 2 1 343.471 1.758 20 0 EDADMP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000375256433 446674886 /nfs/dbraw/zinc/67/48/86/446674886.db2.gz RBCQKDNEEMDSME-FCGDIQPGSA-N 2 1 343.471 1.758 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000423747598 446675799 /nfs/dbraw/zinc/67/57/99/446675799.db2.gz SRBDHQYCWOOTBD-OALUTQOASA-N 2 1 344.503 1.705 20 0 EDADMP COC[C@]1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CCC[NH2+]1 ZINC000418652235 446633745 /nfs/dbraw/zinc/63/37/45/446633745.db2.gz IITJQOXRIBQFNP-SOLBZPMBSA-N 2 1 338.496 1.412 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000423768063 446694670 /nfs/dbraw/zinc/69/46/70/446694670.db2.gz ZRWPUAIPDVMIFG-MOPGFXCFSA-N 2 1 344.503 1.185 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1(C)C ZINC000423798623 446699204 /nfs/dbraw/zinc/69/92/04/446699204.db2.gz JFKRGTFRKLWWNX-IIDMSEBBSA-N 2 1 325.497 1.756 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375316380 446714124 /nfs/dbraw/zinc/71/41/24/446714124.db2.gz XPYOYFIICCRCMY-KBAYOESNSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375316380 446714127 /nfs/dbraw/zinc/71/41/27/446714127.db2.gz XPYOYFIICCRCMY-KBAYOESNSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000375316380 446714131 /nfs/dbraw/zinc/71/41/31/446714131.db2.gz XPYOYFIICCRCMY-KBAYOESNSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000375316380 446714133 /nfs/dbraw/zinc/71/41/33/446714133.db2.gz XPYOYFIICCRCMY-KBAYOESNSA-N 2 1 343.471 1.222 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000411909592 446718542 /nfs/dbraw/zinc/71/85/42/446718542.db2.gz FZYGZKFLNKJNPG-NVXWUHKLSA-N 2 1 344.459 1.384 20 0 EDADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H](C)C1 ZINC000418759949 446679132 /nfs/dbraw/zinc/67/91/32/446679132.db2.gz AEDFEZHGUKNGFL-PYTCMNEWSA-N 2 1 334.508 1.746 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000423749787 446680285 /nfs/dbraw/zinc/68/02/85/446680285.db2.gz SHDXVHULHVVMSL-OWCLPIDISA-N 2 1 339.480 1.108 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H](O)COc1ccccc1 ZINC000371293468 446749982 /nfs/dbraw/zinc/74/99/82/446749982.db2.gz GTJXGTJOCZJZLT-JFRXWTBNSA-N 2 1 334.460 1.610 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)COc1ccccc1 ZINC000371293468 446749987 /nfs/dbraw/zinc/74/99/87/446749987.db2.gz GTJXGTJOCZJZLT-JFRXWTBNSA-N 2 1 334.460 1.610 20 0 EDADMP CNC(=O)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371294652 446750993 /nfs/dbraw/zinc/75/09/93/446750993.db2.gz MHBPPOACAVSVPX-KZNAEPCWSA-N 2 1 331.460 1.730 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371294652 446750998 /nfs/dbraw/zinc/75/09/98/446750998.db2.gz MHBPPOACAVSVPX-KZNAEPCWSA-N 2 1 331.460 1.730 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000418855153 446754390 /nfs/dbraw/zinc/75/43/90/446754390.db2.gz CWZDIHUHCFRSNC-CQSZACIVSA-N 2 1 338.496 1.001 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000423928796 446780720 /nfs/dbraw/zinc/78/07/20/446780720.db2.gz HUOFYISPYXBYAM-OWSLCNJRSA-N 2 1 331.460 1.692 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000423928796 446780725 /nfs/dbraw/zinc/78/07/25/446780725.db2.gz HUOFYISPYXBYAM-OWSLCNJRSA-N 2 1 331.460 1.692 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000423928793 446780926 /nfs/dbraw/zinc/78/09/26/446780926.db2.gz HUOFYISPYXBYAM-BDXSIMOUSA-N 2 1 331.460 1.692 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000423928793 446780933 /nfs/dbraw/zinc/78/09/33/446780933.db2.gz HUOFYISPYXBYAM-BDXSIMOUSA-N 2 1 331.460 1.692 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000423884422 446741333 /nfs/dbraw/zinc/74/13/33/446741333.db2.gz WEQCXOJMZNEJFP-KURKYZTESA-N 2 1 331.460 1.126 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000423886850 446742891 /nfs/dbraw/zinc/74/28/91/446742891.db2.gz GCKUKSGGEWDFBF-WZYMTQMTSA-N 2 1 337.464 1.003 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000423886850 446742894 /nfs/dbraw/zinc/74/28/94/446742894.db2.gz GCKUKSGGEWDFBF-WZYMTQMTSA-N 2 1 337.464 1.003 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC[N@H+]1C ZINC000418959167 446829391 /nfs/dbraw/zinc/82/93/91/446829391.db2.gz HFHYNCKDCSEQSO-HOCLYGCPSA-N 2 1 338.496 1.014 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000420810982 446837768 /nfs/dbraw/zinc/83/77/68/446837768.db2.gz FGYVQZXSNVAELI-HNNXBMFYSA-N 2 1 336.505 1.842 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000420810982 446837775 /nfs/dbraw/zinc/83/77/75/446837775.db2.gz FGYVQZXSNVAELI-HNNXBMFYSA-N 2 1 336.505 1.842 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000420810982 446837781 /nfs/dbraw/zinc/83/77/81/446837781.db2.gz FGYVQZXSNVAELI-HNNXBMFYSA-N 2 1 336.505 1.842 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000420810982 446837785 /nfs/dbraw/zinc/83/77/85/446837785.db2.gz FGYVQZXSNVAELI-HNNXBMFYSA-N 2 1 336.505 1.842 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c2n1CCCC2 ZINC000371449578 446864258 /nfs/dbraw/zinc/86/42/58/446864258.db2.gz WLXIAVQYCWKCDD-WBMJQRKESA-N 2 1 331.464 1.810 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c2n1CCCC2 ZINC000371449578 446864260 /nfs/dbraw/zinc/86/42/60/446864260.db2.gz WLXIAVQYCWKCDD-WBMJQRKESA-N 2 1 331.464 1.810 20 0 EDADMP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000419031585 446875930 /nfs/dbraw/zinc/87/59/30/446875930.db2.gz ACZTXLYLWVDPPK-CYBMUJFWSA-N 2 1 343.431 1.084 20 0 EDADMP CN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000412143480 446878155 /nfs/dbraw/zinc/87/81/55/446878155.db2.gz ZLKIZUVIOLSYQQ-HOTGVXAUSA-N 2 1 325.522 1.757 20 0 EDADMP C[N@@H+](Cc1ccc(CN2CCOCC2)cc1)C1CCN(CCO)CC1 ZINC000420909133 446883048 /nfs/dbraw/zinc/88/30/48/446883048.db2.gz YHGVYQUXNZXKHE-UHFFFAOYSA-N 2 1 347.503 1.407 20 0 EDADMP C[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)[C@@H](C)C[N@H+]1C ZINC000412229565 446905066 /nfs/dbraw/zinc/90/50/66/446905066.db2.gz QLFAFPRATDFTQE-IJEWVQPXSA-N 2 1 325.522 1.755 20 0 EDADMP O=C1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C2CC2)N1 ZINC000420957940 446926834 /nfs/dbraw/zinc/92/68/34/446926834.db2.gz DEEXTZWMKZWLJJ-UYAOXDASSA-N 2 1 343.471 1.666 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC[N@H+]1C ZINC000371765768 446960431 /nfs/dbraw/zinc/96/04/31/446960431.db2.gz MTEOHZNLJNQKDD-FUHWJXTLSA-N 2 1 347.507 1.924 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442772340 446961163 /nfs/dbraw/zinc/96/11/63/446961163.db2.gz VJWMULNNMPRQGB-FRRDWIJNSA-N 2 1 325.403 1.681 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442772340 446961170 /nfs/dbraw/zinc/96/11/70/446961170.db2.gz VJWMULNNMPRQGB-FRRDWIJNSA-N 2 1 325.403 1.681 20 0 EDADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057314 446999514 /nfs/dbraw/zinc/99/95/14/446999514.db2.gz GGIJWQQSEMRERB-OAGGEKHMSA-N 2 1 347.459 1.392 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000443058984 446999878 /nfs/dbraw/zinc/99/98/78/446999878.db2.gz BPEJDMPGSDOZRS-CABCVRRESA-N 2 1 333.432 1.003 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419279234 447053679 /nfs/dbraw/zinc/05/36/79/447053679.db2.gz CJQKGGNAWRGTMG-AWEZNQCLSA-N 2 1 334.464 1.171 20 0 EDADMP Nc1cc(N)nc(SCc2cccc(CN3CCOCC3)c2)n1 ZINC000421183566 447055417 /nfs/dbraw/zinc/05/54/17/447055417.db2.gz OEVBZRPAUWDZNG-UHFFFAOYSA-N 2 1 331.445 1.766 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)C1 ZINC000368720980 447065092 /nfs/dbraw/zinc/06/50/92/447065092.db2.gz CHXSKVSBRPKRHD-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375760155 447027999 /nfs/dbraw/zinc/02/79/99/447027999.db2.gz SKJYBFSBQJDFNF-GVDBMIGSSA-N 2 1 339.480 1.840 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375760155 447028007 /nfs/dbraw/zinc/02/80/07/447028007.db2.gz SKJYBFSBQJDFNF-GVDBMIGSSA-N 2 1 339.480 1.840 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375760155 447028013 /nfs/dbraw/zinc/02/80/13/447028013.db2.gz SKJYBFSBQJDFNF-GVDBMIGSSA-N 2 1 339.480 1.840 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375760155 447028018 /nfs/dbraw/zinc/02/80/18/447028018.db2.gz SKJYBFSBQJDFNF-GVDBMIGSSA-N 2 1 339.480 1.840 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000425437640 447161861 /nfs/dbraw/zinc/16/18/61/447161861.db2.gz BJTKEEJHIFIEAH-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@H](C)[NH+](C)C)CC2)cn1 ZINC000455423610 447125871 /nfs/dbraw/zinc/12/58/71/447125871.db2.gz ARZDYFHDSPUQAE-HNNXBMFYSA-N 2 1 336.484 1.070 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)NC[C@H](C)[NH+](C)C)CC2)cn1 ZINC000455423610 447125873 /nfs/dbraw/zinc/12/58/73/447125873.db2.gz ARZDYFHDSPUQAE-HNNXBMFYSA-N 2 1 336.484 1.070 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(-c2cccnc2)n[nH]1 ZINC000377621148 447250669 /nfs/dbraw/zinc/25/06/69/447250669.db2.gz AYQNXOXJHNLLTK-UHFFFAOYSA-N 2 1 328.464 1.541 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000425530436 447215097 /nfs/dbraw/zinc/21/50/97/447215097.db2.gz AUKFPVJWUFVQTF-HNNXBMFYSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NCc3nccn3C)CC2)C[C@H](C)O1 ZINC000368981170 447244334 /nfs/dbraw/zinc/24/43/34/447244334.db2.gz QJDSAPBZHPFVQC-GASCZTMLSA-N 2 1 349.479 1.451 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)CC1 ZINC000377681712 447291514 /nfs/dbraw/zinc/29/15/14/447291514.db2.gz RFMGWLSWASKRAJ-HXUWFJFHSA-N 2 1 343.471 1.620 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)CC1 ZINC000377681712 447291520 /nfs/dbraw/zinc/29/15/20/447291520.db2.gz RFMGWLSWASKRAJ-HXUWFJFHSA-N 2 1 343.471 1.620 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000372816098 447299185 /nfs/dbraw/zinc/29/91/85/447299185.db2.gz XKSOIJBNVIVSJG-MAUKXSAKSA-N 2 1 339.443 1.724 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000372816098 447299189 /nfs/dbraw/zinc/29/91/89/447299189.db2.gz XKSOIJBNVIVSJG-MAUKXSAKSA-N 2 1 339.443 1.724 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494655631 447453851 /nfs/dbraw/zinc/45/38/51/447453851.db2.gz RIVNTHDNQFHVOV-KSZLIROESA-N 2 1 336.524 1.536 20 0 EDADMP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458707132 447458350 /nfs/dbraw/zinc/45/83/50/447458350.db2.gz NKCKLIKQEADTPP-INIZCTEOSA-N 2 1 338.496 1.007 20 0 EDADMP COCCOC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000450399019 447477475 /nfs/dbraw/zinc/47/74/75/447477475.db2.gz BNMWNXDMKJHITM-FGTMMUONSA-N 2 1 328.497 1.597 20 0 EDADMP COCCOC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000450399019 447477478 /nfs/dbraw/zinc/47/74/78/447477478.db2.gz BNMWNXDMKJHITM-FGTMMUONSA-N 2 1 328.497 1.597 20 0 EDADMP COCCOC[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000450399019 447477484 /nfs/dbraw/zinc/47/74/84/447477484.db2.gz BNMWNXDMKJHITM-FGTMMUONSA-N 2 1 328.497 1.597 20 0 EDADMP COCCOC[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000450399019 447477491 /nfs/dbraw/zinc/47/74/91/447477491.db2.gz BNMWNXDMKJHITM-FGTMMUONSA-N 2 1 328.497 1.597 20 0 EDADMP COc1ccc(CNC(=O)CC[N@H+]2CC[C@H](C[NH+](C)C)C2)c(OC)c1 ZINC000450406120 447479918 /nfs/dbraw/zinc/47/99/18/447479918.db2.gz RCRLRWWWNZRTHY-OAHLLOKOSA-N 2 1 349.475 1.594 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000390748646 447496333 /nfs/dbraw/zinc/49/63/33/447496333.db2.gz RDSFYCROCXGBRJ-HKUYNNGSSA-N 2 1 331.460 1.393 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)ccc1Cl ZINC000415540949 447505286 /nfs/dbraw/zinc/50/52/86/447505286.db2.gz ZKSBUZGEUJYGSX-CQSZACIVSA-N 2 1 338.839 1.194 20 0 EDADMP CC(C)OC[C@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000391054231 447510134 /nfs/dbraw/zinc/51/01/34/447510134.db2.gz IFVBSDRNSVLRMK-MOPGFXCFSA-N 2 1 336.476 1.653 20 0 EDADMP CC(C)OC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000391054231 447510138 /nfs/dbraw/zinc/51/01/38/447510138.db2.gz IFVBSDRNSVLRMK-MOPGFXCFSA-N 2 1 336.476 1.653 20 0 EDADMP CC[NH+](CC)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000457415471 447576071 /nfs/dbraw/zinc/57/60/71/447576071.db2.gz WAUSHYRLQKSNMJ-SJPCQFCGSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000457424277 447577614 /nfs/dbraw/zinc/57/76/14/447577614.db2.gz QFNSIRDZZIQRNL-QZTJIDSGSA-N 2 1 348.491 1.435 20 0 EDADMP COCC1(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]CC1 ZINC000396372545 447542324 /nfs/dbraw/zinc/54/23/24/447542324.db2.gz LQHGKFBDIZGHDG-KRWDZBQOSA-N 2 1 345.487 1.736 20 0 EDADMP COCC1(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]CC1 ZINC000396372545 447542334 /nfs/dbraw/zinc/54/23/34/447542334.db2.gz LQHGKFBDIZGHDG-KRWDZBQOSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1CN(CCN(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000459043510 447550840 /nfs/dbraw/zinc/55/08/40/447550840.db2.gz DBGFMMWPDBOJSP-DJSILETISA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000459043510 447550843 /nfs/dbraw/zinc/55/08/43/447550843.db2.gz DBGFMMWPDBOJSP-DJSILETISA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000459043510 447550849 /nfs/dbraw/zinc/55/08/49/447550849.db2.gz DBGFMMWPDBOJSP-DJSILETISA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000459043510 447550853 /nfs/dbraw/zinc/55/08/53/447550853.db2.gz DBGFMMWPDBOJSP-DJSILETISA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000459043510 447550855 /nfs/dbraw/zinc/55/08/55/447550855.db2.gz DBGFMMWPDBOJSP-DJSILETISA-N 2 1 338.496 1.362 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCCC[NH+](C)C1CC1 ZINC000459150688 447596489 /nfs/dbraw/zinc/59/64/89/447596489.db2.gz HUALREQOVVRLQH-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCCC[NH+](C)C1CC1 ZINC000459150688 447596497 /nfs/dbraw/zinc/59/64/97/447596497.db2.gz HUALREQOVVRLQH-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459150688 447596504 /nfs/dbraw/zinc/59/65/04/447596504.db2.gz HUALREQOVVRLQH-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000459150688 447596509 /nfs/dbraw/zinc/59/65/09/447596509.db2.gz HUALREQOVVRLQH-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1CCC[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)[C@H]1CC[NH3+] ZINC000404271034 447598608 /nfs/dbraw/zinc/59/86/08/447598608.db2.gz KTGNDGPFCGLZPR-BBRMVZONSA-N 2 1 341.477 1.162 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496065938 447704018 /nfs/dbraw/zinc/70/40/18/447704018.db2.gz MJOGAJVKWBQVRC-ZDUSSCGKSA-N 2 1 327.473 1.355 20 0 EDADMP CCOC(=O)c1c[nH+]c2cc3c(cc2c1N1CC[C@H]([NH3+])C1)OCO3 ZINC000420174913 447654602 /nfs/dbraw/zinc/65/46/02/447654602.db2.gz UHFLXUARAMMWSJ-JTQLQIEISA-N 2 1 329.356 1.678 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)C[C@H](C)O1 ZINC000416930476 447713693 /nfs/dbraw/zinc/71/36/93/447713693.db2.gz KSDASTMFYGOMOS-LXTVHRRPSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)C[C@H](C)O1 ZINC000416930476 447713698 /nfs/dbraw/zinc/71/36/98/447713698.db2.gz KSDASTMFYGOMOS-LXTVHRRPSA-N 2 1 326.485 1.266 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000416944417 447719896 /nfs/dbraw/zinc/71/98/96/447719896.db2.gz UZVXUSAGFKFIRL-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422831750 447763841 /nfs/dbraw/zinc/76/38/41/447763841.db2.gz UDCQKMQWCJPMSC-WCFLWFBJSA-N 2 1 333.354 1.865 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)N1CC[NH+](C)CC1 ZINC000416953489 447725336 /nfs/dbraw/zinc/72/53/36/447725336.db2.gz KOMKMKUNLBQXTP-IKGGRYGDSA-N 2 1 339.528 1.027 20 0 EDADMP CC[C@@H](CNC(=O)NC1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000417009295 447729305 /nfs/dbraw/zinc/72/93/05/447729305.db2.gz KEGCUYJZPHCJGM-SFHVURJKSA-N 2 1 330.476 1.875 20 0 EDADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000422754710 447740772 /nfs/dbraw/zinc/74/07/72/447740772.db2.gz AQXCPLAFNIZBPA-AZUAARDMSA-N 2 1 330.520 1.782 20 0 EDADMP CCOC[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000459713826 447749837 /nfs/dbraw/zinc/74/98/37/447749837.db2.gz NTDPKJKEJQMXSY-QGZVFWFLSA-N 2 1 325.497 1.866 20 0 EDADMP c1cnc(N2CCOCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422822754 447759245 /nfs/dbraw/zinc/75/92/45/447759245.db2.gz BPQGJCGSVWYIRN-RCCFBDPRSA-N 2 1 330.476 1.929 20 0 EDADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC000471856565 447815535 /nfs/dbraw/zinc/81/55/35/447815535.db2.gz LRKDTTPAUGQLAZ-IRXDYDNUSA-N 2 1 344.459 1.210 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000452107713 447815738 /nfs/dbraw/zinc/81/57/38/447815738.db2.gz BYYHWTRUVUKRJD-KURKYZTESA-N 2 1 345.487 1.762 20 0 EDADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000430708659 447783318 /nfs/dbraw/zinc/78/33/18/447783318.db2.gz KDQUDLQZYFOXEZ-ZWKOTPCHSA-N 2 1 345.487 1.782 20 0 EDADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000430708659 447783320 /nfs/dbraw/zinc/78/33/20/447783320.db2.gz KDQUDLQZYFOXEZ-ZWKOTPCHSA-N 2 1 345.487 1.782 20 0 EDADMP O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C[N@H+]1CCc2ccccc2C1 ZINC000422969596 447784079 /nfs/dbraw/zinc/78/40/79/447784079.db2.gz USRFNTDCVPGUQN-IVAOSVALSA-N 2 1 343.515 1.916 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CN1CCc2ccccc2C1 ZINC000422969596 447784083 /nfs/dbraw/zinc/78/40/83/447784083.db2.gz USRFNTDCVPGUQN-IVAOSVALSA-N 2 1 343.515 1.916 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000487940367 447838182 /nfs/dbraw/zinc/83/81/82/447838182.db2.gz CXFNEURSDOPODL-MUQADHOPSA-N 2 1 347.507 1.459 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000487940367 447838183 /nfs/dbraw/zinc/83/81/83/447838183.db2.gz CXFNEURSDOPODL-MUQADHOPSA-N 2 1 347.507 1.459 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000487940367 447838185 /nfs/dbraw/zinc/83/81/85/447838185.db2.gz CXFNEURSDOPODL-MUQADHOPSA-N 2 1 347.507 1.459 20 0 EDADMP CCOC(=O)[C@H]1[C@@H]([NH2+]CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000496653578 447841472 /nfs/dbraw/zinc/84/14/72/447841472.db2.gz CVIIWKNXQNQNBW-UONOGXRCSA-N 2 1 343.468 1.469 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[N@H+]1C ZINC000569741170 447880873 /nfs/dbraw/zinc/88/08/73/447880873.db2.gz ZLEUIUKLCWSQGU-FVQBIDKESA-N 2 1 325.522 1.803 20 0 EDADMP C[C@@H](NC(=O)C1(C[NH3+])CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000575985852 447944122 /nfs/dbraw/zinc/94/41/22/447944122.db2.gz ACRKFWVALCDPRL-SJLPKXTDSA-N 2 1 345.487 1.911 20 0 EDADMP C[C@@H](NC(=O)C1(C[NH3+])CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000575985852 447944127 /nfs/dbraw/zinc/94/41/27/447944127.db2.gz ACRKFWVALCDPRL-SJLPKXTDSA-N 2 1 345.487 1.911 20 0 EDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497206030 447958468 /nfs/dbraw/zinc/95/84/68/447958468.db2.gz AMORHNLQELSGPE-HZPDHXFCSA-N 2 1 335.448 1.552 20 0 EDADMP C[C@H](O)C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000524971698 447962712 /nfs/dbraw/zinc/96/27/12/447962712.db2.gz UZQOEZVGOWZRMS-INIZCTEOSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](O)C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000524971698 447962717 /nfs/dbraw/zinc/96/27/17/447962717.db2.gz UZQOEZVGOWZRMS-INIZCTEOSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530574989 447917677 /nfs/dbraw/zinc/91/76/77/447917677.db2.gz QAYZLEHLTWORFK-AZUAARDMSA-N 2 1 345.487 1.470 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530574989 447917686 /nfs/dbraw/zinc/91/76/86/447917686.db2.gz QAYZLEHLTWORFK-AZUAARDMSA-N 2 1 345.487 1.470 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000530814459 447963896 /nfs/dbraw/zinc/96/38/96/447963896.db2.gz GBFBKKIVVGQGAJ-PKOBYXMFSA-N 2 1 331.460 1.224 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530814459 447963901 /nfs/dbraw/zinc/96/39/01/447963901.db2.gz GBFBKKIVVGQGAJ-PKOBYXMFSA-N 2 1 331.460 1.224 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530814459 447963904 /nfs/dbraw/zinc/96/39/04/447963904.db2.gz GBFBKKIVVGQGAJ-PKOBYXMFSA-N 2 1 331.460 1.224 20 0 EDADMP Cc1ncc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1C ZINC000570410649 448007568 /nfs/dbraw/zinc/00/75/68/448007568.db2.gz HDYWRJSCRPFWHO-SFHVURJKSA-N 3 1 328.460 1.975 20 0 EDADMP Cc1ncc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)n1C ZINC000570410649 448007569 /nfs/dbraw/zinc/00/75/69/448007569.db2.gz HDYWRJSCRPFWHO-SFHVURJKSA-N 3 1 328.460 1.975 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000531298318 448058545 /nfs/dbraw/zinc/05/85/45/448058545.db2.gz JOWGMQLHGXHSMK-KPFFTGBYSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000531298318 448058549 /nfs/dbraw/zinc/05/85/49/448058549.db2.gz JOWGMQLHGXHSMK-KPFFTGBYSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000531298318 448058553 /nfs/dbraw/zinc/05/85/53/448058553.db2.gz JOWGMQLHGXHSMK-KPFFTGBYSA-N 2 1 345.487 1.565 20 0 EDADMP CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000576460416 448060236 /nfs/dbraw/zinc/06/02/36/448060236.db2.gz VWKCTBGEYVMRJP-RTBURBONSA-N 2 1 336.476 1.376 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1cccnc1 ZINC000570898516 448079336 /nfs/dbraw/zinc/07/93/36/448079336.db2.gz YMFQSNOBGAZLHT-ZACQAIPSSA-N 2 1 332.448 1.594 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000531483831 448092079 /nfs/dbraw/zinc/09/20/79/448092079.db2.gz CEIXNSXQBBUQKZ-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000576806836 448142293 /nfs/dbraw/zinc/14/22/93/448142293.db2.gz JJNLOOVYPHLPBQ-OKILXGFUSA-N 2 1 326.485 1.173 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000576806836 448142299 /nfs/dbraw/zinc/14/22/99/448142299.db2.gz JJNLOOVYPHLPBQ-OKILXGFUSA-N 2 1 326.485 1.173 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000527113397 448162492 /nfs/dbraw/zinc/16/24/92/448162492.db2.gz ZPCVADPPDANJON-LJQANCHMSA-N 2 1 331.460 1.224 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[N@H+]1CCc2ccccc2C1 ZINC000509335181 448150646 /nfs/dbraw/zinc/15/06/46/448150646.db2.gz DNYNIEIABAUMJA-QRVBRYPASA-N 2 1 345.487 1.692 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000571420076 448152908 /nfs/dbraw/zinc/15/29/08/448152908.db2.gz VVNVPXCQMWOSGR-KBAYOESNSA-N 2 1 346.475 1.279 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000571420076 448152913 /nfs/dbraw/zinc/15/29/13/448152913.db2.gz VVNVPXCQMWOSGR-KBAYOESNSA-N 2 1 346.475 1.279 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[NH2+][C@@H]3C)cc2)CC1 ZINC000577103726 448210939 /nfs/dbraw/zinc/21/09/39/448210939.db2.gz XWZVLEPWKXTKEH-QAPCUYQASA-N 2 1 330.476 1.761 20 0 EDADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOCCNC(=O)OC(C)(C)C)C2)C1 ZINC000497081605 448183393 /nfs/dbraw/zinc/18/33/93/448183393.db2.gz WIAXNGGAGAZEEB-GOSISDBHSA-N 2 1 341.496 1.945 20 0 EDADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOCCNC(=O)OC(C)(C)C)C2)C1 ZINC000497081605 448183398 /nfs/dbraw/zinc/18/33/98/448183398.db2.gz WIAXNGGAGAZEEB-GOSISDBHSA-N 2 1 341.496 1.945 20 0 EDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOCCNC(=O)OC(C)(C)C)C2)C1 ZINC000497081605 448183401 /nfs/dbraw/zinc/18/34/01/448183401.db2.gz WIAXNGGAGAZEEB-GOSISDBHSA-N 2 1 341.496 1.945 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000514684010 448186285 /nfs/dbraw/zinc/18/62/85/448186285.db2.gz GNTSFNMBPXSXQH-CYBMUJFWSA-N 2 1 346.479 1.740 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@H]1CCC[NH2+]C1 ZINC000571657141 448187169 /nfs/dbraw/zinc/18/71/69/448187169.db2.gz VHUVNWUTMFCJHM-ROUUACIJSA-N 2 1 330.476 1.602 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2(COC)CC[NH2+]CC2)C[C@@H]1C ZINC000571746812 448197749 /nfs/dbraw/zinc/19/77/49/448197749.db2.gz XDQPEUXMCUMKLL-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000514799178 448206629 /nfs/dbraw/zinc/20/66/29/448206629.db2.gz SSJBFUAMZVCWMM-HOTGVXAUSA-N 2 1 325.416 1.129 20 0 EDADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000514799178 448206636 /nfs/dbraw/zinc/20/66/36/448206636.db2.gz SSJBFUAMZVCWMM-HOTGVXAUSA-N 2 1 325.416 1.129 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1cncc(O)c1 ZINC000492517200 448229489 /nfs/dbraw/zinc/22/94/89/448229489.db2.gz DQJQVIPRBLDXRK-ZPUOCTKUSA-N 2 1 346.475 1.675 20 0 EDADMP c1cnc(N2CCC([NH2+]CC3([NH+]4CCCC4)CCOCC3)CC2)cn1 ZINC000532215302 448216633 /nfs/dbraw/zinc/21/66/33/448216633.db2.gz MAKXKPRCHNAZEF-UHFFFAOYSA-N 2 1 345.491 1.680 20 0 EDADMP C[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000514912060 448222256 /nfs/dbraw/zinc/22/22/56/448222256.db2.gz HBGSSRZBPQBFHA-QXGSTGNESA-N 2 1 333.476 1.487 20 0 EDADMP C[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000514912060 448222262 /nfs/dbraw/zinc/22/22/62/448222262.db2.gz HBGSSRZBPQBFHA-QXGSTGNESA-N 2 1 333.476 1.487 20 0 EDADMP C[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000514912060 448222266 /nfs/dbraw/zinc/22/22/66/448222266.db2.gz HBGSSRZBPQBFHA-QXGSTGNESA-N 2 1 333.476 1.487 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000532348080 448241638 /nfs/dbraw/zinc/24/16/38/448241638.db2.gz CXJQYSHLFGUHSS-QGZVFWFLSA-N 2 1 348.495 1.001 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000527537634 448251321 /nfs/dbraw/zinc/25/13/21/448251321.db2.gz FLOGHJKXEITXPN-CRAIPNDOSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000527537634 448251329 /nfs/dbraw/zinc/25/13/29/448251329.db2.gz FLOGHJKXEITXPN-CRAIPNDOSA-N 2 1 331.460 1.486 20 0 EDADMP C[N@@H+](CCO)C1CCN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC1 ZINC000515411310 448309694 /nfs/dbraw/zinc/30/96/94/448309694.db2.gz PHFGLYTVCMDAAH-QGZVFWFLSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCO)C1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000515411310 448309699 /nfs/dbraw/zinc/30/96/99/448309699.db2.gz PHFGLYTVCMDAAH-QGZVFWFLSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCO)C1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000515411310 448309700 /nfs/dbraw/zinc/30/97/00/448309700.db2.gz PHFGLYTVCMDAAH-QGZVFWFLSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000577386363 448285154 /nfs/dbraw/zinc/28/51/54/448285154.db2.gz PRQJEGIWXIOGLL-HOCLYGCPSA-N 2 1 325.522 1.662 20 0 EDADMP COC(=O)[C@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+](C)C1 ZINC000591263208 448301069 /nfs/dbraw/zinc/30/10/69/448301069.db2.gz MWVQJWSRPABDBD-QGZVFWFLSA-N 2 1 349.475 1.164 20 0 EDADMP COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000591263208 448301074 /nfs/dbraw/zinc/30/10/74/448301074.db2.gz MWVQJWSRPABDBD-QGZVFWFLSA-N 2 1 349.475 1.164 20 0 EDADMP COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000591263208 448301079 /nfs/dbraw/zinc/30/10/79/448301079.db2.gz MWVQJWSRPABDBD-QGZVFWFLSA-N 2 1 349.475 1.164 20 0 EDADMP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000591457793 448370532 /nfs/dbraw/zinc/37/05/32/448370532.db2.gz ZGNBUIVIRGGTMY-KRWDZBQOSA-N 2 1 333.476 1.975 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)CCOC)C12CCCCC2 ZINC000577861678 448405805 /nfs/dbraw/zinc/40/58/05/448405805.db2.gz JQAQCLSDGQKVKQ-YESZJQIVSA-N 2 1 328.497 1.643 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CCOC)C12CCCCC2 ZINC000577861678 448405809 /nfs/dbraw/zinc/40/58/09/448405809.db2.gz JQAQCLSDGQKVKQ-YESZJQIVSA-N 2 1 328.497 1.643 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000583084775 448420792 /nfs/dbraw/zinc/42/07/92/448420792.db2.gz OXUXQJWMHPJAQH-WOSRLPQWSA-N 2 1 347.463 1.384 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000583084775 448420795 /nfs/dbraw/zinc/42/07/95/448420795.db2.gz OXUXQJWMHPJAQH-WOSRLPQWSA-N 2 1 347.463 1.384 20 0 EDADMP Cc1ccc(NCCC[NH2+]C[C@H](O)COc2cccc(C)c2)[nH+]c1 ZINC000516563734 448439125 /nfs/dbraw/zinc/43/91/25/448439125.db2.gz QTWBMHOORNAMAO-KRWDZBQOSA-N 2 1 329.444 2.530 20 0 EDADMP C[C@H](c1ccc(NC(=O)NC2CC[NH2+]CC2)cc1)[NH+]1CCOCC1 ZINC000572702434 448442526 /nfs/dbraw/zinc/44/25/26/448442526.db2.gz HFCJQZDQMLMJCN-CQSZACIVSA-N 2 1 332.448 1.953 20 0 EDADMP C[N@H+]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000516629961 448452319 /nfs/dbraw/zinc/45/23/19/448452319.db2.gz DEIPDKOSQSOPLM-UHFFFAOYSA-N 2 1 344.503 1.536 20 0 EDADMP C[NH+](C)CCOc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000591717192 448469354 /nfs/dbraw/zinc/46/93/54/448469354.db2.gz QPKDWEILFMEJDM-UHFFFAOYSA-N 3 1 348.535 1.744 20 0 EDADMP C[NH+](C)CCOc1cc(CNC(=O)C[N@H+]2CCC(C)(C)C2)ccn1 ZINC000566447242 448474532 /nfs/dbraw/zinc/47/45/32/448474532.db2.gz PUPDSQXLWNHRGX-UHFFFAOYSA-N 2 1 334.464 1.370 20 0 EDADMP C[C@@H](NC(=O)N1CCC([NH3+])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566667990 448531710 /nfs/dbraw/zinc/53/17/10/448531710.db2.gz FQGCEMDXMKZKPU-CRAIPNDOSA-N 2 1 346.475 1.409 20 0 EDADMP C[C@@H](NC(=O)N1CCC([NH3+])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566667990 448531717 /nfs/dbraw/zinc/53/17/17/448531717.db2.gz FQGCEMDXMKZKPU-CRAIPNDOSA-N 2 1 346.475 1.409 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000528364480 448500314 /nfs/dbraw/zinc/50/03/14/448500314.db2.gz MNSNLOCQLLSSNQ-IYBDPMFKSA-N 2 1 334.464 1.539 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000528364480 448500318 /nfs/dbraw/zinc/50/03/18/448500318.db2.gz MNSNLOCQLLSSNQ-IYBDPMFKSA-N 2 1 334.464 1.539 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000517248159 448563110 /nfs/dbraw/zinc/56/31/10/448563110.db2.gz ZEZNIOXGWWSJHT-GOSISDBHSA-N 2 1 346.475 1.993 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)CC2 ZINC000573118795 448549462 /nfs/dbraw/zinc/54/94/62/448549462.db2.gz WZVOMROGQCUYQM-MRXNPFEDSA-N 2 1 348.491 1.713 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CCc2ccc(C(C)=O)cc2CC1 ZINC000567058475 448606513 /nfs/dbraw/zinc/60/65/13/448606513.db2.gz SHOMJGCGXAHZMC-IBGZPJMESA-N 2 1 334.460 1.229 20 0 EDADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000517556734 448591505 /nfs/dbraw/zinc/59/15/05/448591505.db2.gz SYBKBKTWMWRKOV-GOSISDBHSA-N 2 1 332.492 1.614 20 0 EDADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528704266 448637864 /nfs/dbraw/zinc/63/78/64/448637864.db2.gz HEWSGMLFWPLPSJ-MRXNPFEDSA-N 2 1 348.447 1.137 20 0 EDADMP COc1ccc(COC[C@@H](O)C[NH2+][C@@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000573480872 448638945 /nfs/dbraw/zinc/63/89/45/448638945.db2.gz VQKQDJZSWLFAGC-YJBOKZPZSA-N 2 1 334.460 1.813 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000518214978 448655691 /nfs/dbraw/zinc/65/56/91/448655691.db2.gz ILSVBGYQNTWHCV-RBUKOAKNSA-N 2 1 345.487 1.472 20 0 EDADMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000518214978 448655695 /nfs/dbraw/zinc/65/56/95/448655695.db2.gz ILSVBGYQNTWHCV-RBUKOAKNSA-N 2 1 345.487 1.472 20 0 EDADMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518214978 448655702 /nfs/dbraw/zinc/65/57/02/448655702.db2.gz ILSVBGYQNTWHCV-RBUKOAKNSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000517933769 448631138 /nfs/dbraw/zinc/63/11/38/448631138.db2.gz KTBBLVIGCPNICS-CZUORRHYSA-N 2 1 345.491 1.438 20 0 EDADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000518534280 448689931 /nfs/dbraw/zinc/68/99/31/448689931.db2.gz DSHVUNROMFNPNB-QZTJIDSGSA-N 2 1 336.476 1.480 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000567455493 448696578 /nfs/dbraw/zinc/69/65/78/448696578.db2.gz YGDLFVSSLFWGDI-JKSUJKDBSA-N 2 1 339.528 1.219 20 0 EDADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000579228171 448745074 /nfs/dbraw/zinc/74/50/74/448745074.db2.gz BUAYRABXVUYLRE-KXBFYZLASA-N 2 1 332.492 1.652 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000579229704 448746638 /nfs/dbraw/zinc/74/66/38/448746638.db2.gz QAUORWMGFMLJSR-INIZCTEOSA-N 2 1 333.480 1.281 20 0 EDADMP Cc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1C(F)(F)F ZINC000579253613 448755783 /nfs/dbraw/zinc/75/57/83/448755783.db2.gz YWMWSLZBAHKTLR-TZMCWYRMSA-N 2 1 327.350 1.758 20 0 EDADMP Cc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1C(F)(F)F ZINC000579253613 448755789 /nfs/dbraw/zinc/75/57/89/448755789.db2.gz YWMWSLZBAHKTLR-TZMCWYRMSA-N 2 1 327.350 1.758 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)COc1ccccc1Cl)C[NH+]1CCCC1 ZINC000573966684 448758644 /nfs/dbraw/zinc/75/86/44/448758644.db2.gz IBFOHLGGYKNFRE-KGLIPLIRSA-N 2 1 328.840 1.126 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000545884209 448804809 /nfs/dbraw/zinc/80/48/09/448804809.db2.gz PUZMHNYRBHPGKQ-SJORKVTESA-N 2 1 338.496 1.125 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC[NH+]1C[C@@H](C)O ZINC000545884209 448804813 /nfs/dbraw/zinc/80/48/13/448804813.db2.gz PUZMHNYRBHPGKQ-SJORKVTESA-N 2 1 338.496 1.125 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[N@@H+]2CC=C(C)CC2)CC[NH+]1C[C@@H](C)O ZINC000545884209 448804818 /nfs/dbraw/zinc/80/48/18/448804818.db2.gz PUZMHNYRBHPGKQ-SJORKVTESA-N 2 1 338.496 1.125 20 0 EDADMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000568051069 448807502 /nfs/dbraw/zinc/80/75/02/448807502.db2.gz VRLKJOQFRDAXBU-CRAIPNDOSA-N 2 1 345.487 1.695 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000567986820 448793071 /nfs/dbraw/zinc/79/30/71/448793071.db2.gz FCWHLBWTDNDVKN-LSDHHAIUSA-N 2 1 349.504 1.480 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000574142077 448798960 /nfs/dbraw/zinc/79/89/60/448798960.db2.gz YOOQJGMKOBDPNF-MWDXBVQZSA-N 2 1 338.496 1.031 20 0 EDADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000546614429 448831343 /nfs/dbraw/zinc/83/13/43/448831343.db2.gz MFOWWBYHYFKRFI-KBXCAEBGSA-N 2 1 349.500 1.799 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000546614429 448831348 /nfs/dbraw/zinc/83/13/48/448831348.db2.gz MFOWWBYHYFKRFI-KBXCAEBGSA-N 2 1 349.500 1.799 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529373225 448846812 /nfs/dbraw/zinc/84/68/12/448846812.db2.gz AIUDVRKYRUQRQW-NUJGCVRESA-N 2 1 346.475 1.279 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@@H](O)CC(C)(C)C)CC1 ZINC000574344263 448851695 /nfs/dbraw/zinc/85/16/95/448851695.db2.gz CCGBJRGJUJGLKF-CQSZACIVSA-N 2 1 334.464 1.959 20 0 EDADMP C[C@@H](NC(=O)c1cnccc1N)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000568399563 448868890 /nfs/dbraw/zinc/86/88/90/448868890.db2.gz SSPWJIHVXZHBKN-KDOFPFPSSA-N 2 1 340.427 1.513 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CCN([C@H](C)c2ccsc2)CC1 ZINC000579910589 448905278 /nfs/dbraw/zinc/90/52/78/448905278.db2.gz JUEJLBHUTZBXSM-NVXWUHKLSA-N 2 1 341.521 1.366 20 0 EDADMP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000579910589 448905281 /nfs/dbraw/zinc/90/52/81/448905281.db2.gz JUEJLBHUTZBXSM-NVXWUHKLSA-N 2 1 341.521 1.366 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000569353055 449010342 /nfs/dbraw/zinc/01/03/42/449010342.db2.gz GMLCTNQVPWFVPW-RDTXWAMCSA-N 2 1 347.459 1.625 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC000548419822 449039079 /nfs/dbraw/zinc/03/90/79/449039079.db2.gz VCXDKGSKMAPKCK-VSZNYVQBSA-N 2 1 339.524 1.970 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC000548419822 449039084 /nfs/dbraw/zinc/03/90/84/449039084.db2.gz VCXDKGSKMAPKCK-VSZNYVQBSA-N 2 1 339.524 1.970 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC000548419822 449039089 /nfs/dbraw/zinc/03/90/89/449039089.db2.gz VCXDKGSKMAPKCK-VSZNYVQBSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@H](c1ccc(NC(=O)COC2CC[NH2+]CC2)cc1)[NH+]1CCOCC1 ZINC000569598961 449054210 /nfs/dbraw/zinc/05/42/10/449054210.db2.gz HZQUGXYMMXOPJM-OAHLLOKOSA-N 2 1 347.459 1.787 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595722574 449131808 /nfs/dbraw/zinc/13/18/08/449131808.db2.gz FOHCXEIZAZBCSP-CRAIPNDOSA-N 2 1 335.448 1.872 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595722574 449131809 /nfs/dbraw/zinc/13/18/09/449131809.db2.gz FOHCXEIZAZBCSP-CRAIPNDOSA-N 2 1 335.448 1.872 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ncccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000530221374 449086811 /nfs/dbraw/zinc/08/68/11/449086811.db2.gz PUYGASKNTAOBTC-ZFWWWQNUSA-N 2 1 336.867 1.815 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ncccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000530221374 449086816 /nfs/dbraw/zinc/08/68/16/449086816.db2.gz PUYGASKNTAOBTC-ZFWWWQNUSA-N 2 1 336.867 1.815 20 0 EDADMP C[C@H]1CCC[N@H+](CC(=O)NC(=O)NCc2ccccc2)[C@H]1CC[NH3+] ZINC000593730799 449165776 /nfs/dbraw/zinc/16/57/76/449165776.db2.gz GXORXOJGURXYLP-HOCLYGCPSA-N 2 1 332.448 1.462 20 0 EDADMP C[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)[C@H]1CC[NH3+] ZINC000593730799 449165780 /nfs/dbraw/zinc/16/57/80/449165780.db2.gz GXORXOJGURXYLP-HOCLYGCPSA-N 2 1 332.448 1.462 20 0 EDADMP CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910503 449247879 /nfs/dbraw/zinc/24/78/79/449247879.db2.gz IRNLHEXBTCLPKG-ZBFHGGJFSA-N 2 1 349.479 1.340 20 0 EDADMP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910503 449247883 /nfs/dbraw/zinc/24/78/83/449247883.db2.gz IRNLHEXBTCLPKG-ZBFHGGJFSA-N 2 1 349.479 1.340 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000605985788 449434479 /nfs/dbraw/zinc/43/44/79/449434479.db2.gz KJFSKDQBSSMVFP-UHFFFAOYSA-N 2 1 339.528 1.140 20 0 EDADMP CC(C)[N@@H+]1CCCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000605985788 449434485 /nfs/dbraw/zinc/43/44/85/449434485.db2.gz KJFSKDQBSSMVFP-UHFFFAOYSA-N 2 1 339.528 1.140 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000605985788 449434489 /nfs/dbraw/zinc/43/44/89/449434489.db2.gz KJFSKDQBSSMVFP-UHFFFAOYSA-N 2 1 339.528 1.140 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)C(=O)OC)CC2)CC1 ZINC000594351167 449463109 /nfs/dbraw/zinc/46/31/09/449463109.db2.gz FLUUXCMLQFSTCI-CQSZACIVSA-N 2 1 339.480 1.203 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000606718272 449515964 /nfs/dbraw/zinc/51/59/64/449515964.db2.gz JQAUYIOKYRDAQA-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CCOC(=O)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000602440517 449589433 /nfs/dbraw/zinc/58/94/33/449589433.db2.gz UVSLQSCWCLJQGY-UHFFFAOYSA-N 2 1 333.432 1.049 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(CCOC)s3)C2)CC1 ZINC000602466782 449612713 /nfs/dbraw/zinc/61/27/13/449612713.db2.gz WXSAYJOYWFRTJT-OAHLLOKOSA-N 2 1 338.521 1.544 20 0 EDADMP Cc1nc(CC2CC2)oc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507235 449656637 /nfs/dbraw/zinc/65/66/37/449656637.db2.gz NHGCRUGWOYHVMP-ZDUSSCGKSA-N 2 1 336.480 1.937 20 0 EDADMP Cc1nc(CC2CC2)oc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507235 449656644 /nfs/dbraw/zinc/65/66/44/449656644.db2.gz NHGCRUGWOYHVMP-ZDUSSCGKSA-N 2 1 336.480 1.937 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2oc(=O)[nH]c21 ZINC000617508039 449657752 /nfs/dbraw/zinc/65/77/52/449657752.db2.gz SOUFXZWXXUVYSZ-LBPRGKRZSA-N 2 1 334.420 1.535 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2oc(=O)[nH]c21 ZINC000617508039 449657762 /nfs/dbraw/zinc/65/77/62/449657762.db2.gz SOUFXZWXXUVYSZ-LBPRGKRZSA-N 2 1 334.420 1.535 20 0 EDADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594738104 449658459 /nfs/dbraw/zinc/65/84/59/449658459.db2.gz HCELZPQCJZHJID-UONOGXRCSA-N 2 1 327.350 1.758 20 0 EDADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594738104 449658462 /nfs/dbraw/zinc/65/84/62/449658462.db2.gz HCELZPQCJZHJID-UONOGXRCSA-N 2 1 327.350 1.758 20 0 EDADMP CCN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000617555767 449684104 /nfs/dbraw/zinc/68/41/04/449684104.db2.gz BICWDOMFVCXTRP-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP CCN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000617555767 449684108 /nfs/dbraw/zinc/68/41/08/449684108.db2.gz BICWDOMFVCXTRP-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000617503308 449645792 /nfs/dbraw/zinc/64/57/92/449645792.db2.gz DKUDEBMXONNDSP-GJZGRUSLSA-N 2 1 339.455 1.981 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000617503308 449645799 /nfs/dbraw/zinc/64/57/99/449645799.db2.gz DKUDEBMXONNDSP-GJZGRUSLSA-N 2 1 339.455 1.981 20 0 EDADMP Cc1ccccc1C(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617503246 449646839 /nfs/dbraw/zinc/64/68/39/449646839.db2.gz ATPGVKWCNIRJCC-INIZCTEOSA-N 2 1 348.491 1.113 20 0 EDADMP Cc1ccccc1C(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617503246 449646845 /nfs/dbraw/zinc/64/68/45/449646845.db2.gz ATPGVKWCNIRJCC-INIZCTEOSA-N 2 1 348.491 1.113 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000617700683 449746608 /nfs/dbraw/zinc/74/66/08/449746608.db2.gz JOFJYQPXKZTZKC-ZWKOTPCHSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617700683 449746613 /nfs/dbraw/zinc/74/66/13/449746613.db2.gz JOFJYQPXKZTZKC-ZWKOTPCHSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617700683 449746619 /nfs/dbraw/zinc/74/66/19/449746619.db2.gz JOFJYQPXKZTZKC-ZWKOTPCHSA-N 2 1 331.460 1.354 20 0 EDADMP COC(=O)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)o1 ZINC000597187257 449863467 /nfs/dbraw/zinc/86/34/67/449863467.db2.gz OUUKVENIGFRDGY-MRXNPFEDSA-N 2 1 344.411 1.923 20 0 EDADMP COC(=O)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)o1 ZINC000597187257 449863470 /nfs/dbraw/zinc/86/34/70/449863470.db2.gz OUUKVENIGFRDGY-MRXNPFEDSA-N 2 1 344.411 1.923 20 0 EDADMP C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000615085432 449944299 /nfs/dbraw/zinc/94/42/99/449944299.db2.gz CIXPLOQXOJGKEL-HNNXBMFYSA-N 2 1 346.475 1.469 20 0 EDADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000608692368 449911206 /nfs/dbraw/zinc/91/12/06/449911206.db2.gz JHLMKIHVTNVOOX-DLBZAZTESA-N 2 1 338.496 1.223 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)c1 ZINC000612962503 449958374 /nfs/dbraw/zinc/95/83/74/449958374.db2.gz BQUFUYJTNDJBOR-SFHVURJKSA-N 2 1 342.487 1.964 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@H](c2ccccc2)C1 ZINC000612963957 449958416 /nfs/dbraw/zinc/95/84/16/449958416.db2.gz NFMSHVICXDXBHZ-DLBZAZTESA-N 2 1 328.460 1.827 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@H](c2ccccc2)C1 ZINC000612963957 449958420 /nfs/dbraw/zinc/95/84/20/449958420.db2.gz NFMSHVICXDXBHZ-DLBZAZTESA-N 2 1 328.460 1.827 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612978973 449968831 /nfs/dbraw/zinc/96/88/31/449968831.db2.gz CVOGBMAKJOAVLP-NXHRZFHOSA-N 2 1 342.487 1.948 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCN3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000595340347 450054303 /nfs/dbraw/zinc/05/43/03/450054303.db2.gz RTJIDLKBTBVOLT-CEXWTWQISA-N 2 1 338.540 1.196 20 0 EDADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000599657715 450132309 /nfs/dbraw/zinc/13/23/09/450132309.db2.gz LJAOUNQVXNQMAN-CQSZACIVSA-N 2 1 346.475 1.947 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@H](OC)C3)CC2)CC1 ZINC000613810608 450324456 /nfs/dbraw/zinc/32/44/56/450324456.db2.gz HQESDAUCPRKWKC-KRWDZBQOSA-N 2 1 339.480 1.014 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000616120114 450326165 /nfs/dbraw/zinc/32/61/65/450326165.db2.gz MSDPHKKKOXZWCQ-UHFFFAOYSA-N 2 1 328.420 1.508 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000619893439 450358819 /nfs/dbraw/zinc/35/88/19/450358819.db2.gz ILPSGHKFVBBFJN-ZWKOTPCHSA-N 2 1 330.476 1.894 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000619893439 450358825 /nfs/dbraw/zinc/35/88/25/450358825.db2.gz ILPSGHKFVBBFJN-ZWKOTPCHSA-N 2 1 330.476 1.894 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000619893439 450358829 /nfs/dbraw/zinc/35/88/29/450358829.db2.gz ILPSGHKFVBBFJN-ZWKOTPCHSA-N 2 1 330.476 1.894 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000623405079 450515743 /nfs/dbraw/zinc/51/57/43/450515743.db2.gz XKLJEQIERAWKGJ-UHFFFAOYSA-N 2 1 346.454 1.524 20 0 EDADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620480604 450499745 /nfs/dbraw/zinc/49/97/45/450499745.db2.gz HAQXMTVJQLAUBZ-ZWKOTPCHSA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000620480604 450499747 /nfs/dbraw/zinc/49/97/47/450499747.db2.gz HAQXMTVJQLAUBZ-ZWKOTPCHSA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000620480604 450499748 /nfs/dbraw/zinc/49/97/48/450499748.db2.gz HAQXMTVJQLAUBZ-ZWKOTPCHSA-N 2 1 335.492 1.451 20 0 EDADMP COc1ccc(CNCCC[N@@H+]2CCC[C@H]2C(N)=O)c(Cl)c1 ZINC000623617899 450551980 /nfs/dbraw/zinc/55/19/80/450551980.db2.gz UQMRXRVDGCJHOC-HNNXBMFYSA-N 2 1 325.840 1.778 20 0 EDADMP COc1ccc(CNCCC[N@H+]2CCC[C@H]2C(N)=O)c(Cl)c1 ZINC000623617899 450551983 /nfs/dbraw/zinc/55/19/83/450551983.db2.gz UQMRXRVDGCJHOC-HNNXBMFYSA-N 2 1 325.840 1.778 20 0 EDADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623900685 450630111 /nfs/dbraw/zinc/63/01/11/450630111.db2.gz PZRQZQKNAFZNDB-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623900685 450630113 /nfs/dbraw/zinc/63/01/13/450630113.db2.gz PZRQZQKNAFZNDB-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623900685 450630118 /nfs/dbraw/zinc/63/01/18/450630118.db2.gz PZRQZQKNAFZNDB-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623900688 450630192 /nfs/dbraw/zinc/63/01/92/450630192.db2.gz PZRQZQKNAFZNDB-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)NCC[N@H+](C)C3CC3)C2)cc1 ZINC000633080887 450666928 /nfs/dbraw/zinc/66/69/28/450666928.db2.gz AEWXQUIOXCCLEO-KRWDZBQOSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCC[NH+](C)C3CC3)C2)cc1 ZINC000633080887 450666934 /nfs/dbraw/zinc/66/69/34/450666934.db2.gz AEWXQUIOXCCLEO-KRWDZBQOSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCC[NH+](C)C3CC3)C2)cc1 ZINC000633080887 450666938 /nfs/dbraw/zinc/66/69/38/450666938.db2.gz AEWXQUIOXCCLEO-KRWDZBQOSA-N 2 1 330.476 1.963 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623900688 450630197 /nfs/dbraw/zinc/63/01/97/450630197.db2.gz PZRQZQKNAFZNDB-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623900688 450630200 /nfs/dbraw/zinc/63/02/00/450630200.db2.gz PZRQZQKNAFZNDB-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP CCc1ccc([C@@H](CNS(=O)(=O)CCC[NH+](C)C)[NH+](C)C)cc1 ZINC000631661391 450701209 /nfs/dbraw/zinc/70/12/09/450701209.db2.gz HWQHFJODQHDBOV-QGZVFWFLSA-N 2 1 341.521 1.723 20 0 EDADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000629521699 450725102 /nfs/dbraw/zinc/72/51/02/450725102.db2.gz RJSHBEUSMUTDFY-LBPRGKRZSA-N 2 1 327.450 1.217 20 0 EDADMP C[C@@H](CNS(=O)(=O)CCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000631722795 450734105 /nfs/dbraw/zinc/73/41/05/450734105.db2.gz LTJRTXSQDSODSE-HNNXBMFYSA-N 2 1 339.505 1.304 20 0 EDADMP C[C@@H](CNS(=O)(=O)CCC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000631722795 450734108 /nfs/dbraw/zinc/73/41/08/450734108.db2.gz LTJRTXSQDSODSE-HNNXBMFYSA-N 2 1 339.505 1.304 20 0 EDADMP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)CCOCC[NH3+] ZINC000629580197 450747193 /nfs/dbraw/zinc/74/71/93/450747193.db2.gz UTXILHAYFDQYEQ-LLVKDONJSA-N 2 1 331.363 1.522 20 0 EDADMP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)CCOCC[NH3+] ZINC000629580197 450747200 /nfs/dbraw/zinc/74/72/00/450747200.db2.gz UTXILHAYFDQYEQ-LLVKDONJSA-N 2 1 331.363 1.522 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000631787156 450777192 /nfs/dbraw/zinc/77/71/92/450777192.db2.gz BFQIGPZHYKFHGI-HUUCEWRRSA-N 2 1 345.553 1.757 20 0 EDADMP C[C@H](C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000635258254 450789280 /nfs/dbraw/zinc/78/92/80/450789280.db2.gz SXQJWTHSSLNGQA-AEFFLSMTSA-N 2 1 332.492 1.432 20 0 EDADMP Cc1cc(N2CCC(NC(=O)CC[C@@H]3CCC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000621651797 450815575 /nfs/dbraw/zinc/81/55/75/450815575.db2.gz QDCDRBCSVYCPKD-INIZCTEOSA-N 2 1 345.491 1.958 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621652721 450816315 /nfs/dbraw/zinc/81/63/15/450816315.db2.gz DGTRGDLRKOZONY-QZTJIDSGSA-N 2 1 336.524 1.395 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000631849292 450824450 /nfs/dbraw/zinc/82/44/50/450824450.db2.gz DDKKIUVIKPOZFB-OALUTQOASA-N 2 1 342.487 1.075 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000635262186 450791996 /nfs/dbraw/zinc/79/19/96/450791996.db2.gz LWZIBLJYCQSMEQ-DOTOQJQBSA-N 2 1 325.497 1.581 20 0 EDADMP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000631821417 450797586 /nfs/dbraw/zinc/79/75/86/450797586.db2.gz XDLQOQMXIDEFNZ-INMHGKMJSA-N 2 1 346.475 1.039 20 0 EDADMP O[C@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624335800 450798837 /nfs/dbraw/zinc/79/88/37/450798837.db2.gz AJSWOAAFZSAVKX-IVAOSVALSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@H]1CC[N@H+](CCN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624335800 450798840 /nfs/dbraw/zinc/79/88/40/450798840.db2.gz AJSWOAAFZSAVKX-IVAOSVALSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@H]1CC[N@@H+](CCN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624335800 450798844 /nfs/dbraw/zinc/79/88/44/450798844.db2.gz AJSWOAAFZSAVKX-IVAOSVALSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@H]1CC[NH+](CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624335800 450798845 /nfs/dbraw/zinc/79/88/45/450798845.db2.gz AJSWOAAFZSAVKX-IVAOSVALSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@H]1CC[NH+](CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624335800 450798849 /nfs/dbraw/zinc/79/88/49/450798849.db2.gz AJSWOAAFZSAVKX-IVAOSVALSA-N 2 1 343.515 1.943 20 0 EDADMP CCn1nccc1CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000621775099 450862789 /nfs/dbraw/zinc/86/27/89/450862789.db2.gz GEOGQOITCFAJLJ-NVXWUHKLSA-N 2 1 333.480 1.026 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)C[C@H]21 ZINC000627649226 450866815 /nfs/dbraw/zinc/86/68/15/450866815.db2.gz OGBNJRTUWNQRNL-XWTMOSNGSA-N 2 1 345.512 1.795 20 0 EDADMP Cn1cc(Cl)c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000624549192 450891213 /nfs/dbraw/zinc/89/12/13/450891213.db2.gz OFNITCSJISGBHE-UHFFFAOYSA-N 2 1 334.811 1.473 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000635457741 450957850 /nfs/dbraw/zinc/95/78/50/450957850.db2.gz JWQSPAKTBPGMMT-QGZVFWFLSA-N 3 1 345.491 1.052 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000635457741 450957858 /nfs/dbraw/zinc/95/78/58/450957858.db2.gz JWQSPAKTBPGMMT-QGZVFWFLSA-N 2 1 345.491 1.052 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000635457741 450957863 /nfs/dbraw/zinc/95/78/63/450957863.db2.gz JWQSPAKTBPGMMT-QGZVFWFLSA-N 2 1 345.491 1.052 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000624746186 450979098 /nfs/dbraw/zinc/97/90/98/450979098.db2.gz KXFYXEMKKXTGHB-UHFFFAOYSA-N 2 1 329.404 1.720 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000633797311 451021092 /nfs/dbraw/zinc/02/10/92/451021092.db2.gz KAJLCNDANCCSTB-NXHRZFHOSA-N 2 1 331.460 1.201 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000633797311 451021098 /nfs/dbraw/zinc/02/10/98/451021098.db2.gz KAJLCNDANCCSTB-NXHRZFHOSA-N 2 1 331.460 1.201 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000633797311 451021103 /nfs/dbraw/zinc/02/11/03/451021103.db2.gz KAJLCNDANCCSTB-NXHRZFHOSA-N 2 1 331.460 1.201 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000633797311 451021108 /nfs/dbraw/zinc/02/11/08/451021108.db2.gz KAJLCNDANCCSTB-NXHRZFHOSA-N 2 1 331.460 1.201 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000632127881 451056335 /nfs/dbraw/zinc/05/63/35/451056335.db2.gz KXPYDLJWBJAOPJ-GDBMZVCRSA-N 2 1 329.510 1.217 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000626993756 451060162 /nfs/dbraw/zinc/06/01/62/451060162.db2.gz MGWQVIRYPBLXGQ-UOVPBQLFSA-N 2 1 330.476 1.947 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CCOCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000626998488 451064972 /nfs/dbraw/zinc/06/49/72/451064972.db2.gz OATUFMIWEXIENJ-WBVHZDCISA-N 2 1 334.464 1.266 20 0 EDADMP COCC[N@H+]1CCN(C(=O)[C@@H]2CCn3cc(C)nc3C2)C(C)(C)C1 ZINC000628007680 451084886 /nfs/dbraw/zinc/08/48/86/451084886.db2.gz JTIWGIZDSVXLEB-OAHLLOKOSA-N 2 1 334.464 1.323 20 0 EDADMP COCCN1CCN(C(=O)[C@@H]2CCn3cc(C)nc3C2)C(C)(C)C1 ZINC000628007680 451084888 /nfs/dbraw/zinc/08/48/88/451084888.db2.gz JTIWGIZDSVXLEB-OAHLLOKOSA-N 2 1 334.464 1.323 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627023471 451086420 /nfs/dbraw/zinc/08/64/20/451086420.db2.gz VHQDWRQXHNRYOG-SFHVURJKSA-N 2 1 348.491 1.386 20 0 EDADMP C[C@H](NS(=O)(=O)CCC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000632197338 451107513 /nfs/dbraw/zinc/10/75/13/451107513.db2.gz PCMHZIVWEZMIAK-LSDHHAIUSA-N 2 1 331.526 1.511 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000632301074 451183717 /nfs/dbraw/zinc/18/37/17/451183717.db2.gz LZKHVPJQLPOMQS-MRXNPFEDSA-N 2 1 343.537 1.797 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000632301074 451183722 /nfs/dbraw/zinc/18/37/22/451183722.db2.gz LZKHVPJQLPOMQS-MRXNPFEDSA-N 2 1 343.537 1.797 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000635711242 451190465 /nfs/dbraw/zinc/19/04/65/451190465.db2.gz PSQWSQBIEBUBKR-SFHVURJKSA-N 2 1 333.476 1.124 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@]2(C[NH3+])CCCOC2)cc1F ZINC000638085288 451250349 /nfs/dbraw/zinc/25/03/49/451250349.db2.gz XCGUDPSUEQPNEP-GOSISDBHSA-N 2 1 346.406 1.692 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)CN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000638111779 451279822 /nfs/dbraw/zinc/27/98/22/451279822.db2.gz HJOYHCBRIMFKNR-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000638117351 451283924 /nfs/dbraw/zinc/28/39/24/451283924.db2.gz TWJDNDCTOMSQRO-AEFFLSMTSA-N 2 1 333.476 1.946 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000638117356 451284218 /nfs/dbraw/zinc/28/42/18/451284218.db2.gz TWJDNDCTOMSQRO-SJLPKXTDSA-N 2 1 333.476 1.946 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+]1CCC(C)CC1 ZINC000636550770 451291064 /nfs/dbraw/zinc/29/10/64/451291064.db2.gz FOZOWDVPHUSTQL-SJORKVTESA-N 2 1 340.512 1.109 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000636596289 451336335 /nfs/dbraw/zinc/33/63/35/451336335.db2.gz LPPUDXHZJOCBQH-SJORKVTESA-N 2 1 346.479 1.898 20 0 EDADMP [NH3+][C@@H]1CC=C(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000638138410 451313578 /nfs/dbraw/zinc/31/35/78/451313578.db2.gz AKCYNPOCWQNXIR-MRXNPFEDSA-N 2 1 348.878 1.626 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638142002 451315964 /nfs/dbraw/zinc/31/59/64/451315964.db2.gz ADOVBXIXFQVCQS-SZVBFZGTSA-N 2 1 331.460 1.236 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000640511700 451361240 /nfs/dbraw/zinc/36/12/40/451361240.db2.gz HXSLTXNOUAJFHW-IXDOHACOSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000640511700 451361243 /nfs/dbraw/zinc/36/12/43/451361243.db2.gz HXSLTXNOUAJFHW-IXDOHACOSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)c1 ZINC000640525433 451375277 /nfs/dbraw/zinc/37/52/77/451375277.db2.gz OMUYBGNKRRQWJM-MSOLQXFVSA-N 2 1 345.487 1.977 20 0 EDADMP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000635894399 451338184 /nfs/dbraw/zinc/33/81/84/451338184.db2.gz GIWAZEPTCDUCME-AEFFLSMTSA-N 2 1 335.492 1.717 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)N3CC[NH+](C)CC3)C2)cc1 ZINC000634456382 451346026 /nfs/dbraw/zinc/34/60/26/451346026.db2.gz BSYJEFJTNYAJDV-MJGOQNOKSA-N 2 1 344.503 1.321 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)N3CC[NH+](C)CC3)C2)cc1 ZINC000634456382 451346028 /nfs/dbraw/zinc/34/60/28/451346028.db2.gz BSYJEFJTNYAJDV-MJGOQNOKSA-N 2 1 344.503 1.321 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000628746610 451394621 /nfs/dbraw/zinc/39/46/21/451394621.db2.gz DIZGLCZLCWKTNF-OAHLLOKOSA-N 2 1 344.463 1.684 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000628746610 451394629 /nfs/dbraw/zinc/39/46/29/451394629.db2.gz DIZGLCZLCWKTNF-OAHLLOKOSA-N 2 1 344.463 1.684 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3CCCC[N@@H+](C)C3)ccn2)CC1 ZINC000628756100 451399991 /nfs/dbraw/zinc/39/99/91/451399991.db2.gz PZSQZVLPQUXDBF-INIZCTEOSA-N 2 1 345.491 1.295 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638285405 451403421 /nfs/dbraw/zinc/40/34/21/451403421.db2.gz KLOSXQXXOUZQBR-ZWKOTPCHSA-N 2 1 332.492 1.388 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000638285405 451403427 /nfs/dbraw/zinc/40/34/27/451403427.db2.gz KLOSXQXXOUZQBR-ZWKOTPCHSA-N 2 1 332.492 1.388 20 0 EDADMP CN(CCc1ccccc1)CC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000635976078 451410847 /nfs/dbraw/zinc/41/08/47/451410847.db2.gz VKTVDNHIWZJRKR-GOSISDBHSA-N 2 1 333.476 1.124 20 0 EDADMP C[N@H+](CCc1ccccc1)CC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000635976078 451410851 /nfs/dbraw/zinc/41/08/51/451410851.db2.gz VKTVDNHIWZJRKR-GOSISDBHSA-N 2 1 333.476 1.124 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000635976078 451410856 /nfs/dbraw/zinc/41/08/56/451410856.db2.gz VKTVDNHIWZJRKR-GOSISDBHSA-N 2 1 333.476 1.124 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000635976078 451410859 /nfs/dbraw/zinc/41/08/59/451410859.db2.gz VKTVDNHIWZJRKR-GOSISDBHSA-N 2 1 333.476 1.124 20 0 EDADMP C[C@](O)(C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000634698789 451470546 /nfs/dbraw/zinc/47/05/46/451470546.db2.gz XWPQPWZMAVMCEZ-PMACEKPBSA-N 2 1 348.487 1.520 20 0 EDADMP CC[C@H](C)NC(=O)CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634700216 451474099 /nfs/dbraw/zinc/47/40/99/451474099.db2.gz VRKIICYWGDCRSG-LPHOPBHVSA-N 2 1 333.476 1.518 20 0 EDADMP CC[C@H](C)NC(=O)CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700216 451474101 /nfs/dbraw/zinc/47/41/01/451474101.db2.gz VRKIICYWGDCRSG-LPHOPBHVSA-N 2 1 333.476 1.518 20 0 EDADMP C[C@@H](CNC(=O)Cc1cccc2c1CC[NH2+]C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638397142 451486230 /nfs/dbraw/zinc/48/62/30/451486230.db2.gz OTPYMWJHGJZCBL-HRCADAONSA-N 2 1 345.487 1.489 20 0 EDADMP C[C@@H](CNC(=O)Cc1cccc2c1CC[NH2+]C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638397142 451486235 /nfs/dbraw/zinc/48/62/35/451486235.db2.gz OTPYMWJHGJZCBL-HRCADAONSA-N 2 1 345.487 1.489 20 0 EDADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634709287 451487762 /nfs/dbraw/zinc/48/77/62/451487762.db2.gz GZMIZZIYBQBFTD-AOIWGVFYSA-N 2 1 331.460 1.128 20 0 EDADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709287 451487765 /nfs/dbraw/zinc/48/77/65/451487765.db2.gz GZMIZZIYBQBFTD-AOIWGVFYSA-N 2 1 331.460 1.128 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)CC(C)(C)C ZINC000638346304 451448913 /nfs/dbraw/zinc/44/89/13/451448913.db2.gz HSBNHPQGAGIQAL-HZPDHXFCSA-N 2 1 325.497 1.709 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638409305 451495842 /nfs/dbraw/zinc/49/58/42/451495842.db2.gz XGLUWBYBRPAEQU-LNLFQRSKSA-N 2 1 329.444 1.003 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000638411274 451497294 /nfs/dbraw/zinc/49/72/94/451497294.db2.gz MMELLSBIBBSELP-CZUORRHYSA-N 2 1 334.370 1.732 20 0 EDADMP OC[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634719925 451499091 /nfs/dbraw/zinc/49/90/91/451499091.db2.gz BPLYPXXLMIVQAZ-RTWAWAEBSA-N 2 1 340.467 1.989 20 0 EDADMP OC[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634719925 451499098 /nfs/dbraw/zinc/49/90/98/451499098.db2.gz BPLYPXXLMIVQAZ-RTWAWAEBSA-N 2 1 340.467 1.989 20 0 EDADMP OC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000634720898 451500802 /nfs/dbraw/zinc/50/08/02/451500802.db2.gz QJQJKDWMCBHQNV-OALUTQOASA-N 2 1 334.460 1.001 20 0 EDADMP OC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000634720898 451500807 /nfs/dbraw/zinc/50/08/07/451500807.db2.gz QJQJKDWMCBHQNV-OALUTQOASA-N 2 1 334.460 1.001 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000634724285 451505994 /nfs/dbraw/zinc/50/59/94/451505994.db2.gz NGDSPMUNJJWCCJ-YZGWKJHDSA-N 2 1 347.503 1.037 20 0 EDADMP C[NH2+]CCOCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000638580557 451588289 /nfs/dbraw/zinc/58/82/89/451588289.db2.gz QGEGHZFKBSPEND-QGZVFWFLSA-N 2 1 337.439 1.532 20 0 EDADMP C[NH2+]CCOCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000638580557 451588294 /nfs/dbraw/zinc/58/82/94/451588294.db2.gz QGEGHZFKBSPEND-QGZVFWFLSA-N 2 1 337.439 1.532 20 0 EDADMP CCC1([NH+]2CCCC2)CCN(C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000634998580 451641435 /nfs/dbraw/zinc/64/14/35/451641435.db2.gz HRQVLUGSSCLNQZ-QGZVFWFLSA-N 2 1 336.524 1.524 20 0 EDADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccco1 ZINC000637139402 451739326 /nfs/dbraw/zinc/73/93/26/451739326.db2.gz JYQAULOTGBSQBQ-RRFJBIMHSA-N 2 1 338.452 1.075 20 0 EDADMP COc1cc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)ccc1Cl ZINC000641069610 451745065 /nfs/dbraw/zinc/74/50/65/451745065.db2.gz VRDDMVMBBBGUNJ-UHFFFAOYSA-N 2 1 349.866 1.954 20 0 EDADMP COc1cccc([C@H](C)n2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000641075434 451745793 /nfs/dbraw/zinc/74/57/93/451745793.db2.gz VEAPMJPUSCOISK-AWEZNQCLSA-N 2 1 329.448 1.862 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641169882 451768137 /nfs/dbraw/zinc/76/81/37/451768137.db2.gz SBEUCIPNLCCZNZ-GOSISDBHSA-N 2 1 334.512 1.507 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641169882 451768139 /nfs/dbraw/zinc/76/81/39/451768139.db2.gz SBEUCIPNLCCZNZ-GOSISDBHSA-N 3 1 334.512 1.507 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641169882 451768140 /nfs/dbraw/zinc/76/81/40/451768140.db2.gz SBEUCIPNLCCZNZ-GOSISDBHSA-N 3 1 334.512 1.507 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639369666 451850898 /nfs/dbraw/zinc/85/08/98/451850898.db2.gz WUYHYFZARSLLQI-HDICACEKSA-N 2 1 339.399 1.060 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2COCCN2C)CC1 ZINC000637446339 451861737 /nfs/dbraw/zinc/86/17/37/451861737.db2.gz QGDKRQPBMZEZAL-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)CCO2 ZINC000649131987 451866262 /nfs/dbraw/zinc/86/62/62/451866262.db2.gz IFJGPWBWADNQPN-QGZVFWFLSA-N 2 1 349.519 1.964 20 0 EDADMP CC(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000644636481 451910237 /nfs/dbraw/zinc/91/02/37/451910237.db2.gz VFKUJNSGCNRPDE-RBUKOAKNSA-N 2 1 333.476 1.327 20 0 EDADMP CC(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000644636481 451910243 /nfs/dbraw/zinc/91/02/43/451910243.db2.gz VFKUJNSGCNRPDE-RBUKOAKNSA-N 2 1 333.476 1.327 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNc1nccnc1NC[C@H]1CCC[N@@H+]1CC ZINC000649223589 451915597 /nfs/dbraw/zinc/91/55/97/451915597.db2.gz RGEHYOHCCFSLJT-HZPDHXFCSA-N 2 1 332.496 1.113 20 0 EDADMP C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000642684812 451915842 /nfs/dbraw/zinc/91/58/42/451915842.db2.gz TUUJAJGHEQVVKC-LSDHHAIUSA-N 2 1 346.475 1.141 20 0 EDADMP C[N@H+]1CC[C@H](NS(=O)(=O)CCn2ccnc2)[C@@H]1c1ccccc1 ZINC000641398750 451937131 /nfs/dbraw/zinc/93/71/31/451937131.db2.gz KFEBWDSUKITIAH-HOTGVXAUSA-N 2 1 334.445 1.248 20 0 EDADMP CN1CC[C@H](NS(=O)(=O)CCn2ccnc2)[C@@H]1c1ccccc1 ZINC000641398750 451937137 /nfs/dbraw/zinc/93/71/37/451937137.db2.gz KFEBWDSUKITIAH-HOTGVXAUSA-N 2 1 334.445 1.248 20 0 EDADMP Cc1nocc1CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000637616896 451974398 /nfs/dbraw/zinc/97/43/98/451974398.db2.gz OZCOHTKGIYTKHJ-SJPCQFCGSA-N 2 1 347.463 1.435 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000649304202 451980126 /nfs/dbraw/zinc/98/01/26/451980126.db2.gz NWLVQZWBBWWUTJ-FUHWJXTLSA-N 2 1 331.460 1.875 20 0 EDADMP COC[C@@]1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000649305113 451981141 /nfs/dbraw/zinc/98/11/41/451981141.db2.gz FOPVCJVMYOBPHI-AZUAARDMSA-N 2 1 345.487 1.926 20 0 EDADMP CC(C)n1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)nn1 ZINC000644795822 451994553 /nfs/dbraw/zinc/99/45/53/451994553.db2.gz UPTANCMBAKTIQP-OAHLLOKOSA-N 2 1 334.468 1.100 20 0 EDADMP CC(C)n1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)nn1 ZINC000644795822 451994557 /nfs/dbraw/zinc/99/45/57/451994557.db2.gz UPTANCMBAKTIQP-OAHLLOKOSA-N 2 1 334.468 1.100 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cn2)CC1 ZINC000637666194 452008590 /nfs/dbraw/zinc/00/85/90/452008590.db2.gz XXMVDIFYIJBOPV-WMLDXEAASA-N 2 1 346.479 1.708 20 0 EDADMP CN(Cc1ccco1)C(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682183 452021399 /nfs/dbraw/zinc/02/13/99/452021399.db2.gz MGLBADIZDXWBHH-UHFFFAOYSA-N 2 1 328.416 1.845 20 0 EDADMP CN(Cc1ccco1)C(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682183 452021402 /nfs/dbraw/zinc/02/14/02/452021402.db2.gz MGLBADIZDXWBHH-UHFFFAOYSA-N 2 1 328.416 1.845 20 0 EDADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NC[C@H](C)[NH3+] ZINC000641493004 452024865 /nfs/dbraw/zinc/02/48/65/452024865.db2.gz JYCXOOJAFCWAIF-MPGHIAIKSA-N 2 1 347.507 1.979 20 0 EDADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NC[C@H](C)[NH3+] ZINC000641493004 452024870 /nfs/dbraw/zinc/02/48/70/452024870.db2.gz JYCXOOJAFCWAIF-MPGHIAIKSA-N 2 1 347.507 1.979 20 0 EDADMP C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000649344608 452025056 /nfs/dbraw/zinc/02/50/56/452025056.db2.gz HDBWFPWFMHZHAN-FUHWJXTLSA-N 2 1 331.460 1.345 20 0 EDADMP CC[C@H](NC(=O)[C@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649348724 452032170 /nfs/dbraw/zinc/03/21/70/452032170.db2.gz SXJWDZSRTXNWFZ-RCCFBDPRSA-N 2 1 331.460 1.534 20 0 EDADMP CC[C@H](NC(=O)[C@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649348724 452032176 /nfs/dbraw/zinc/03/21/76/452032176.db2.gz SXJWDZSRTXNWFZ-RCCFBDPRSA-N 2 1 331.460 1.534 20 0 EDADMP Cc1nc(N(C)C[C@@H]2CCC[NH+]2C)cc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000643197878 452063985 /nfs/dbraw/zinc/06/39/85/452063985.db2.gz OLQCOTVYZTWHGC-IRXDYDNUSA-N 2 1 346.523 1.846 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000644935989 452074224 /nfs/dbraw/zinc/07/42/24/452074224.db2.gz VQBXARPOPCWZLB-INIZCTEOSA-N 2 1 338.496 1.223 20 0 EDADMP CC1(C)C[NH2+]CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000649410086 452074453 /nfs/dbraw/zinc/07/44/53/452074453.db2.gz NVMNFTJWWDZGMW-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)n1 ZINC000649412857 452075956 /nfs/dbraw/zinc/07/59/56/452075956.db2.gz BTQWDJAITZEJNE-KRWDZBQOSA-N 2 1 333.480 1.176 20 0 EDADMP O=C(NC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637797738 452087566 /nfs/dbraw/zinc/08/75/66/452087566.db2.gz GYGKHGPKQBWZAT-UYAOXDASSA-N 2 1 343.471 1.393 20 0 EDADMP Cc1cccn2c(=O)cc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)nc12 ZINC000639758914 452098686 /nfs/dbraw/zinc/09/86/86/452098686.db2.gz ZPGHFEBRZKOQLM-UHFFFAOYSA-N 2 1 326.444 1.921 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000639765155 452107156 /nfs/dbraw/zinc/10/71/56/452107156.db2.gz HSBZDOZSNHVCFO-IBGZPJMESA-N 2 1 339.524 1.660 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000653955958 452184108 /nfs/dbraw/zinc/18/41/08/452184108.db2.gz WAPMEUOOWOWEOM-WCXIOVBPSA-N 2 1 340.512 1.514 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000653955958 452184093 /nfs/dbraw/zinc/18/40/93/452184093.db2.gz WAPMEUOOWOWEOM-WCXIOVBPSA-N 2 1 340.512 1.514 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000653955958 452184099 /nfs/dbraw/zinc/18/40/99/452184099.db2.gz WAPMEUOOWOWEOM-WCXIOVBPSA-N 2 1 340.512 1.514 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000653955958 452184114 /nfs/dbraw/zinc/18/41/14/452184114.db2.gz WAPMEUOOWOWEOM-WCXIOVBPSA-N 2 1 340.512 1.514 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2nccc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000647486489 452230612 /nfs/dbraw/zinc/23/06/12/452230612.db2.gz ZRSDPRYVRBKUDN-QGZVFWFLSA-N 2 1 338.455 1.879 20 0 EDADMP Cn1c[nH+]cc1CCN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000649751870 452231116 /nfs/dbraw/zinc/23/11/16/452231116.db2.gz UEXZBBPIFXUMHU-UXHICEINSA-N 2 1 340.471 1.938 20 0 EDADMP Cn1c[nH+]cc1CCN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000649751870 452231122 /nfs/dbraw/zinc/23/11/22/452231122.db2.gz UEXZBBPIFXUMHU-UXHICEINSA-N 2 1 340.471 1.938 20 0 EDADMP COC[C@@H]1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000637990587 452233153 /nfs/dbraw/zinc/23/31/53/452233153.db2.gz FQDDBCGTEZRWEO-GOSISDBHSA-N 2 1 345.487 1.865 20 0 EDADMP CC(C)[C@@H](CCO)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637990789 452233588 /nfs/dbraw/zinc/23/35/88/452233588.db2.gz FWJGJUPESDQLLA-GOSISDBHSA-N 2 1 347.503 1.893 20 0 EDADMP CCCN(C(=O)NC[C@@H]1CCC[NH+]1CCOC)[C@@H]1CC[N@@H+](C)C1 ZINC000645278905 452256211 /nfs/dbraw/zinc/25/62/11/452256211.db2.gz KQDKCBCOXWTRIH-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCCN(C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)[C@@H]1CC[NH+](C)C1 ZINC000645278905 452256218 /nfs/dbraw/zinc/25/62/18/452256218.db2.gz KQDKCBCOXWTRIH-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCCN(C(=O)NC[C@@H]1CCC[N@H+]1CCOC)[C@@H]1CC[NH+](C)C1 ZINC000645278905 452256227 /nfs/dbraw/zinc/25/62/27/452256227.db2.gz KQDKCBCOXWTRIH-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP Cc1ccccc1C[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647525238 452260778 /nfs/dbraw/zinc/26/07/78/452260778.db2.gz FYCIRONGZDXHPS-SFTDATJTSA-N 2 1 342.483 1.981 20 0 EDADMP Cc1ccccc1C[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647525238 452260785 /nfs/dbraw/zinc/26/07/85/452260785.db2.gz FYCIRONGZDXHPS-SFTDATJTSA-N 2 1 342.483 1.981 20 0 EDADMP Cc1cc(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)n(-c2ccccc2F)n1 ZINC000641801196 452274190 /nfs/dbraw/zinc/27/41/90/452274190.db2.gz AYUFQGFPGCDXDA-LSDHHAIUSA-N 2 1 345.422 1.974 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000647541254 452274937 /nfs/dbraw/zinc/27/49/37/452274937.db2.gz UORCMBLBFZRNFP-GOSISDBHSA-N 3 1 332.492 1.107 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N[C@@H]3C[NH2+]C[C@@H](C)C3)C2)cc(OC)c1 ZINC000647549806 452276818 /nfs/dbraw/zinc/27/68/18/452276818.db2.gz RVOCANQXWLIWOE-XIRDDKMYSA-N 2 1 333.476 1.866 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N[C@@H]3C[NH2+]C[C@@H](C)C3)C2)cc(OC)c1 ZINC000647549806 452276827 /nfs/dbraw/zinc/27/68/27/452276827.db2.gz RVOCANQXWLIWOE-XIRDDKMYSA-N 2 1 333.476 1.866 20 0 EDADMP [NH3+]C1(CNC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCCC1 ZINC000659432435 452276840 /nfs/dbraw/zinc/27/68/40/452276840.db2.gz ZIYSCWKCEUJUNO-UHFFFAOYSA-N 2 1 346.475 1.590 20 0 EDADMP COc1ccc(CN(C)C(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1OC ZINC000641804387 452280770 /nfs/dbraw/zinc/28/07/70/452280770.db2.gz IIHFQADFNGBHEQ-HZPDHXFCSA-N 2 1 335.448 1.378 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641805072 452284044 /nfs/dbraw/zinc/28/40/44/452284044.db2.gz MNFIVSIPOBVKPG-HZPDHXFCSA-N 2 1 335.448 1.296 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659436948 452284646 /nfs/dbraw/zinc/28/46/46/452284646.db2.gz VVPNNTIPKDBBKP-NVXWUHKLSA-N 2 1 334.508 1.892 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659436463 452285051 /nfs/dbraw/zinc/28/50/51/452285051.db2.gz LWFLWNVDDLRTMO-DOTOQJQBSA-N 2 1 334.508 1.892 20 0 EDADMP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C(F)(F)F ZINC000655513885 452323888 /nfs/dbraw/zinc/32/38/88/452323888.db2.gz HMMUCWYRHQSJOL-OLZOCXBDSA-N 2 1 330.354 1.299 20 0 EDADMP CC(C)C[C@@H]1COCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665757529 452324419 /nfs/dbraw/zinc/32/44/19/452324419.db2.gz MWYTVNCBYYPPJP-DLBZAZTESA-N 2 1 342.528 1.715 20 0 EDADMP CC(C)C[C@@H]1COCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665757529 452324426 /nfs/dbraw/zinc/32/44/26/452324426.db2.gz MWYTVNCBYYPPJP-DLBZAZTESA-N 2 1 342.528 1.715 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000661515330 452324447 /nfs/dbraw/zinc/32/44/47/452324447.db2.gz RBMRLDBLEOTHEE-HZPDHXFCSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)C[N@H+]1Cc1ccccc1 ZINC000659468534 452325670 /nfs/dbraw/zinc/32/56/70/452325670.db2.gz BPPYFTXTYMLLLZ-JGWYNZBZSA-N 2 1 328.460 1.782 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000641858129 452326086 /nfs/dbraw/zinc/32/60/86/452326086.db2.gz GLMDXHMDBLVHFW-BFYDXBDKSA-N 2 1 331.464 1.503 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](CO)c1ccsc1 ZINC000665760708 452331905 /nfs/dbraw/zinc/33/19/05/452331905.db2.gz NRAWFJRWCDQGNT-DZGCQCFKSA-N 2 1 342.509 1.353 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](CO)c1ccsc1 ZINC000665760708 452331914 /nfs/dbraw/zinc/33/19/14/452331914.db2.gz NRAWFJRWCDQGNT-DZGCQCFKSA-N 2 1 342.509 1.353 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665759891 452333162 /nfs/dbraw/zinc/33/31/62/452333162.db2.gz SLQKCZKZGUQFJS-DLBZAZTESA-N 3 1 341.544 1.384 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665759891 452333171 /nfs/dbraw/zinc/33/31/71/452333171.db2.gz SLQKCZKZGUQFJS-DLBZAZTESA-N 3 1 341.544 1.384 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638054255 452334484 /nfs/dbraw/zinc/33/44/84/452334484.db2.gz DXDGKXILQMQIJR-PKOBYXMFSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638054255 452334491 /nfs/dbraw/zinc/33/44/91/452334491.db2.gz DXDGKXILQMQIJR-PKOBYXMFSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638054255 452334500 /nfs/dbraw/zinc/33/45/00/452334500.db2.gz DXDGKXILQMQIJR-PKOBYXMFSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638054255 452334511 /nfs/dbraw/zinc/33/45/11/452334511.db2.gz DXDGKXILQMQIJR-PKOBYXMFSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638054255 452334522 /nfs/dbraw/zinc/33/45/22/452334522.db2.gz DXDGKXILQMQIJR-PKOBYXMFSA-N 2 1 346.519 1.826 20 0 EDADMP CO[C@@H]1C[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@](C)(CO)C1 ZINC000640002294 452335990 /nfs/dbraw/zinc/33/59/90/452335990.db2.gz XLKKLKFNZNFPKM-UFYCRDLUSA-N 2 1 348.487 1.749 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)CC(F)(F)F ZINC000665761012 452335967 /nfs/dbraw/zinc/33/59/67/452335967.db2.gz UZRSHFHORRPOHD-RYUDHWBXSA-N 2 1 326.407 1.899 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)CC(F)(F)F ZINC000665761012 452335974 /nfs/dbraw/zinc/33/59/74/452335974.db2.gz UZRSHFHORRPOHD-RYUDHWBXSA-N 2 1 326.407 1.899 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCS[C@@H](C)CC1 ZINC000665761563 452337067 /nfs/dbraw/zinc/33/70/67/452337067.db2.gz IFMPOZUTQIQSAD-GJZGRUSLSA-N 2 1 330.542 1.795 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCS[C@@H](C)CC1 ZINC000665761563 452337072 /nfs/dbraw/zinc/33/70/72/452337072.db2.gz IFMPOZUTQIQSAD-GJZGRUSLSA-N 2 1 330.542 1.795 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000665762522 452340011 /nfs/dbraw/zinc/34/00/11/452340011.db2.gz HFOPNQRTJPTIAG-YQQAZPJKSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000665762522 452340020 /nfs/dbraw/zinc/34/00/20/452340020.db2.gz HFOPNQRTJPTIAG-YQQAZPJKSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](C)OC2(CCC2)C1 ZINC000665763771 452347189 /nfs/dbraw/zinc/34/71/89/452347189.db2.gz LICXMKYNVXQXGC-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](C)OC2(CCC2)C1 ZINC000665763771 452347197 /nfs/dbraw/zinc/34/71/97/452347197.db2.gz LICXMKYNVXQXGC-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)C[C@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000638060841 452351364 /nfs/dbraw/zinc/35/13/64/452351364.db2.gz SKGRZHICQGTLRC-QZTJIDSGSA-N 2 1 334.508 1.538 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659496190 452360815 /nfs/dbraw/zinc/36/08/15/452360815.db2.gz LKLROAOLMIFYTQ-QGZVFWFLSA-N 2 1 338.496 1.130 20 0 EDADMP CCO[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652174514 452368636 /nfs/dbraw/zinc/36/86/36/452368636.db2.gz WOSZHNGYVNVYQD-TVFCKZIOSA-N 2 1 346.475 1.437 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000663631627 452371823 /nfs/dbraw/zinc/37/18/23/452371823.db2.gz ZHOCUMIPYWEGEI-KRWDZBQOSA-N 3 1 341.544 1.290 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000663631627 452371837 /nfs/dbraw/zinc/37/18/37/452371837.db2.gz ZHOCUMIPYWEGEI-KRWDZBQOSA-N 3 1 341.544 1.290 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000659527442 452391351 /nfs/dbraw/zinc/39/13/51/452391351.db2.gz KYJAJELAPSTZOA-SFHVURJKSA-N 2 1 348.491 1.181 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC[NH2+]1 ZINC000659545329 452403033 /nfs/dbraw/zinc/40/30/33/452403033.db2.gz ZSKNWVIVWVHUHV-OLMNPRSZSA-N 2 1 346.475 1.193 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000659554378 452411942 /nfs/dbraw/zinc/41/19/42/452411942.db2.gz FXZDQMZGNPOKFS-VBQJREDUSA-N 2 1 334.464 1.178 20 0 EDADMP O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654377617 452430103 /nfs/dbraw/zinc/43/01/03/452430103.db2.gz QTUHYJSQKWWCBB-IAGOWNOFSA-N 2 1 338.496 1.415 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000645485107 452454992 /nfs/dbraw/zinc/45/49/92/452454992.db2.gz SHMNCENQUUKVAR-APWZRJJASA-N 2 1 344.503 1.438 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000659611717 452470288 /nfs/dbraw/zinc/47/02/88/452470288.db2.gz UAOQMNIFJDSEKF-GVDBMIGSSA-N 2 1 338.496 1.399 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000652288625 452471582 /nfs/dbraw/zinc/47/15/82/452471582.db2.gz RHNBFYQUJXGHEM-MRXNPFEDSA-N 2 1 347.507 1.231 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)C1 ZINC000663775195 452506180 /nfs/dbraw/zinc/50/61/80/452506180.db2.gz VGDPZGSTLJGRAY-ZWKOTPCHSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000663775195 452506191 /nfs/dbraw/zinc/50/61/91/452506191.db2.gz VGDPZGSTLJGRAY-ZWKOTPCHSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000663775195 452506202 /nfs/dbraw/zinc/50/62/02/452506202.db2.gz VGDPZGSTLJGRAY-ZWKOTPCHSA-N 2 1 346.475 1.147 20 0 EDADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652341641 452511808 /nfs/dbraw/zinc/51/18/08/452511808.db2.gz AHEJDYCNXYVPQG-MRXNPFEDSA-N 2 1 341.377 1.833 20 0 EDADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCOCC1 ZINC000655695387 452517846 /nfs/dbraw/zinc/51/78/46/452517846.db2.gz KXDGIXSCWIJCSF-OALUTQOASA-N 2 1 339.524 1.576 20 0 EDADMP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347408 452521794 /nfs/dbraw/zinc/52/17/94/452521794.db2.gz AHTXTUBZFCVOGZ-NOCIGQNYSA-N 2 1 349.519 1.994 20 0 EDADMP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346648 452522100 /nfs/dbraw/zinc/52/21/00/452522100.db2.gz CQFQPHIFPSFBOJ-VSZNYVQBSA-N 2 1 337.508 1.996 20 0 EDADMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cn2)CC1 ZINC000647789747 452523217 /nfs/dbraw/zinc/52/32/17/452523217.db2.gz KMBXPXWUNLJCQJ-GUDVDZBRSA-N 2 1 343.519 1.701 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347332 452524121 /nfs/dbraw/zinc/52/41/21/452524121.db2.gz YWNMAXJFOBYNOO-SMLCLMEVSA-N 2 1 325.497 1.898 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647794197 452526832 /nfs/dbraw/zinc/52/68/32/452526832.db2.gz UCLPZWRRRZIRGE-VBSBHUPXSA-N 3 1 329.488 1.731 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC1CC[NH+](CCOC)CC1 ZINC000663826312 452552968 /nfs/dbraw/zinc/55/29/68/452552968.db2.gz QTTLNZTVYAWBFB-UHFFFAOYSA-N 2 1 328.501 1.517 20 0 EDADMP Cc1cn2ccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2n1 ZINC000657856682 452572577 /nfs/dbraw/zinc/57/25/77/452572577.db2.gz PIMUPQSWANJCHO-DZGCQCFKSA-N 2 1 343.431 1.522 20 0 EDADMP Cc1cc(F)ccc1N1CCC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000647835902 452574126 /nfs/dbraw/zinc/57/41/26/452574126.db2.gz UJBNBIHYUFNELD-SFHVURJKSA-N 2 1 348.466 1.467 20 0 EDADMP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000647835902 452574132 /nfs/dbraw/zinc/57/41/32/452574132.db2.gz UJBNBIHYUFNELD-SFHVURJKSA-N 2 1 348.466 1.467 20 0 EDADMP Cc1ccc(F)c(N2CCC[C@H]([N@H+](C)CCN3CC[NH2+]CC3)C2=O)c1 ZINC000647835987 452574387 /nfs/dbraw/zinc/57/43/87/452574387.db2.gz XPFCRPCXXDMPFW-KRWDZBQOSA-N 2 1 348.466 1.467 20 0 EDADMP Cc1ccc(F)c(N2CCC[C@H]([N@@H+](C)CCN3CC[NH2+]CC3)C2=O)c1 ZINC000647835987 452574394 /nfs/dbraw/zinc/57/43/94/452574394.db2.gz XPFCRPCXXDMPFW-KRWDZBQOSA-N 2 1 348.466 1.467 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)CCC[NH3+])CC2)cc1 ZINC000647847337 452580505 /nfs/dbraw/zinc/58/05/05/452580505.db2.gz KCSLULKFLOBDMQ-UHFFFAOYSA-N 2 1 332.492 1.310 20 0 EDADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655801223 452587076 /nfs/dbraw/zinc/58/70/76/452587076.db2.gz LSXUWHIXUITEQV-BMFAXAFESA-N 2 1 339.524 1.717 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904257 452644217 /nfs/dbraw/zinc/64/42/17/452644217.db2.gz ZZCIKHJRLPQJQN-GJZGRUSLSA-N 2 1 334.464 1.315 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904257 452644224 /nfs/dbraw/zinc/64/42/24/452644224.db2.gz ZZCIKHJRLPQJQN-GJZGRUSLSA-N 2 1 334.464 1.315 20 0 EDADMP Cc1cn2ccc(NC(=O)C(=O)NCC[C@H]3CCC[N@H+](C)C3)cc2n1 ZINC000658007338 452680069 /nfs/dbraw/zinc/68/00/69/452680069.db2.gz PNVTWZJAHXGTBM-CQSZACIVSA-N 2 1 343.431 1.429 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000655921279 452684264 /nfs/dbraw/zinc/68/42/64/452684264.db2.gz NEIPATVCWVQPAG-MRVWCRGKSA-N 2 1 344.381 1.838 20 0 EDADMP c1cn2nc(N[C@H]3CC[N@@H+](CCC[NH+]4CCCCC4)C3)ccc2n1 ZINC000647941500 452685563 /nfs/dbraw/zinc/68/55/63/452685563.db2.gz GAYLGIDBUQAOTL-INIZCTEOSA-N 2 1 328.464 2.092 20 0 EDADMP c1cn2nc(N[C@H]3CC[N@H+](CCC[NH+]4CCCCC4)C3)ccc2n1 ZINC000647941500 452685565 /nfs/dbraw/zinc/68/55/65/452685565.db2.gz GAYLGIDBUQAOTL-INIZCTEOSA-N 2 1 328.464 2.092 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(F)(F)F ZINC000655926844 452693634 /nfs/dbraw/zinc/69/36/34/452693634.db2.gz GTRIFASDKRXPPB-QWHCGFSZSA-N 2 1 336.402 1.972 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C(F)(F)F ZINC000655926842 452693803 /nfs/dbraw/zinc/69/38/03/452693803.db2.gz GTRIFASDKRXPPB-CHWSQXEVSA-N 2 1 336.402 1.972 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000661945384 452699292 /nfs/dbraw/zinc/69/92/92/452699292.db2.gz CXTUULQSFITHCA-IAGOWNOFSA-N 2 1 338.496 1.225 20 0 EDADMP Nc1nc(N2CCC([N@H+]3CCCOCC3)CC2)c2c([nH+]1)CCCC2 ZINC000664008740 452711413 /nfs/dbraw/zinc/71/14/13/452711413.db2.gz KHUYBVORNPMQGH-UHFFFAOYSA-N 2 1 331.464 1.629 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000661954670 452715191 /nfs/dbraw/zinc/71/51/91/452715191.db2.gz YIAKRQFIHQNGPB-QGZVFWFLSA-N 2 1 340.512 1.659 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)c1cnc(N(C)C[C@@H]2CCC[N@H+]2C)cn1 ZINC000664028977 452729045 /nfs/dbraw/zinc/72/90/45/452729045.db2.gz JSLJJABMJJTNJG-HOTGVXAUSA-N 2 1 332.496 1.537 20 0 EDADMP [NH3+]CCCOC1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655973865 452757094 /nfs/dbraw/zinc/75/70/94/452757094.db2.gz JSZOTWSJCVIHJB-SJORKVTESA-N 2 1 338.496 1.543 20 0 EDADMP C[C@@H]1CC2(C[N@@H+]1Cc1cnc(N3CC[NH+](C)CC3)nc1)CCOCC2 ZINC000648070729 452800311 /nfs/dbraw/zinc/80/03/11/452800311.db2.gz HPCPZSQJLHLKER-MRXNPFEDSA-N 2 1 345.491 1.619 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1Cc1cnc(N3CC[NH+](C)CC3)nc1)CCOCC2 ZINC000648070729 452800317 /nfs/dbraw/zinc/80/03/17/452800317.db2.gz HPCPZSQJLHLKER-MRXNPFEDSA-N 2 1 345.491 1.619 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664130079 452810988 /nfs/dbraw/zinc/81/09/88/452810988.db2.gz SDUUDEGZIVFGQY-HOTGVXAUSA-N 2 1 336.480 1.119 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000648160077 452869113 /nfs/dbraw/zinc/86/91/13/452869113.db2.gz WJDOOIRCNXJDNF-RCCFBDPRSA-N 2 1 330.476 1.737 20 0 EDADMP CCCc1cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n2ncnc2n1 ZINC000664196400 452869356 /nfs/dbraw/zinc/86/93/56/452869356.db2.gz KVUNMCYQJCTBFU-AWEZNQCLSA-N 2 1 333.484 1.761 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)CC[N@H+]1C ZINC000664215408 452889586 /nfs/dbraw/zinc/88/95/86/452889586.db2.gz BMCCDXKYWWIKLB-MCIONIFRSA-N 2 1 337.468 1.262 20 0 EDADMP OC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@H]1O ZINC000666476338 452897361 /nfs/dbraw/zinc/89/73/61/452897361.db2.gz HQBQZKCTIYWICY-PKOBYXMFSA-N 2 1 334.460 1.336 20 0 EDADMP Cc1cccc2nc(CCNC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cn21 ZINC000645932061 452910953 /nfs/dbraw/zinc/91/09/53/452910953.db2.gz USKWSLWYPXBBJM-RDJZCZTQSA-N 2 1 341.459 1.921 20 0 EDADMP Cc1cccc2nc(CCNC(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)cn21 ZINC000645932062 452912060 /nfs/dbraw/zinc/91/20/60/452912060.db2.gz USKWSLWYPXBBJM-WBVHZDCISA-N 2 1 341.459 1.921 20 0 EDADMP CCn1cc(CNC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cn1 ZINC000654797389 452930277 /nfs/dbraw/zinc/93/02/77/452930277.db2.gz PZOZCBDOTKQPKO-UHFFFAOYSA-N 2 1 347.507 1.716 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977871 452965657 /nfs/dbraw/zinc/96/56/57/452965657.db2.gz MGFANRHYIPRTNT-WMZOPIPTSA-N 2 1 348.466 1.153 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977871 452965666 /nfs/dbraw/zinc/96/56/66/452965666.db2.gz MGFANRHYIPRTNT-WMZOPIPTSA-N 2 1 348.466 1.153 20 0 EDADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000652813610 452973445 /nfs/dbraw/zinc/97/34/45/452973445.db2.gz HPOWIBZEMIWJHG-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000652813610 452973455 /nfs/dbraw/zinc/97/34/55/452973455.db2.gz HPOWIBZEMIWJHG-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CCC[NH+](C)CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000652813610 452973467 /nfs/dbraw/zinc/97/34/67/452973467.db2.gz HPOWIBZEMIWJHG-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+](CC(=O)NCc1ccc(F)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249383 452974745 /nfs/dbraw/zinc/97/47/45/452974745.db2.gz LSIGDIIATFFURO-INIZCTEOSA-N 2 1 335.423 1.285 20 0 EDADMP Clc1ccc(CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662257331 452985973 /nfs/dbraw/zinc/98/59/73/452985973.db2.gz CSJPZYTYMMKUAO-KRWDZBQOSA-N 2 1 335.879 1.979 20 0 EDADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)nc1 ZINC000662259783 452987322 /nfs/dbraw/zinc/98/73/22/452987322.db2.gz BHZTUCBMDBXPGA-CVEARBPZSA-N 2 1 344.459 1.562 20 0 EDADMP CCN(CC)C(=O)CN1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662260891 452990900 /nfs/dbraw/zinc/99/09/00/452990900.db2.gz QFMSEVGEMRFWOY-UHFFFAOYSA-N 2 1 344.503 1.318 20 0 EDADMP C[N@H+](CCCNC(=O)C1CCC1)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000656257087 452992981 /nfs/dbraw/zinc/99/29/81/452992981.db2.gz GEGSMYUUBDTDES-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@@H+](CCCNC(=O)C1CCC1)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000656257087 452992991 /nfs/dbraw/zinc/99/29/91/452992991.db2.gz GEGSMYUUBDTDES-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2cccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2)C1 ZINC000656260488 452994939 /nfs/dbraw/zinc/99/49/39/452994939.db2.gz PZRDOKQBLYYILB-WOJBJXKFSA-N 2 1 345.487 1.918 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@]4(CCOC4)C3)CC2)CC1 ZINC000654884194 453003705 /nfs/dbraw/zinc/00/37/05/453003705.db2.gz ZJYWMXFMVQJMFR-HXUWFJFHSA-N 2 1 349.519 1.822 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662327065 453045689 /nfs/dbraw/zinc/04/56/89/453045689.db2.gz HWFSRCWVZLCHJD-LWYYNNOASA-N 2 1 330.472 1.810 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650859486 453059545 /nfs/dbraw/zinc/05/95/45/453059545.db2.gz HBLVPESPJKDSTD-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650859486 453059554 /nfs/dbraw/zinc/05/95/54/453059554.db2.gz HBLVPESPJKDSTD-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650859486 453059563 /nfs/dbraw/zinc/05/95/63/453059563.db2.gz HBLVPESPJKDSTD-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650859486 453059574 /nfs/dbraw/zinc/05/95/74/453059574.db2.gz HBLVPESPJKDSTD-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)C2 ZINC000648452226 453095508 /nfs/dbraw/zinc/09/55/08/453095508.db2.gz OSYFWSCCWCHZIE-LEWJYISDSA-N 2 1 343.515 1.930 20 0 EDADMP [NH3+][C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1Br ZINC000662401847 453111873 /nfs/dbraw/zinc/11/18/73/453111873.db2.gz CKSKBBGZSVOYAV-GXFFZTMASA-N 2 1 326.238 1.707 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC[C@@H]1[NH3+] ZINC000662421749 453131222 /nfs/dbraw/zinc/13/12/22/453131222.db2.gz YLRCIYOQQHCZJG-JIMOISOXSA-N 2 1 326.238 1.645 20 0 EDADMP C[C@@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)C[NH+]1CCOCC1 ZINC000662468119 453178270 /nfs/dbraw/zinc/17/82/70/453178270.db2.gz PSOKXABDHIGPQI-YJBOKZPZSA-N 2 1 345.487 1.763 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662501450 453218537 /nfs/dbraw/zinc/21/85/37/453218537.db2.gz AQDVKDKUMIQWEO-BZSNNMDCSA-N 2 1 333.476 1.780 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662501450 453218547 /nfs/dbraw/zinc/21/85/47/453218547.db2.gz AQDVKDKUMIQWEO-BZSNNMDCSA-N 2 1 333.476 1.780 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000666906527 453230393 /nfs/dbraw/zinc/23/03/93/453230393.db2.gz PIAJSRABVIQLTR-SJLPKXTDSA-N 2 1 346.475 1.953 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666974481 453292384 /nfs/dbraw/zinc/29/23/84/453292384.db2.gz RGUBUASVCYCPFS-HYVNUMGLSA-N 2 1 338.496 1.221 20 0 EDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662570427 453296064 /nfs/dbraw/zinc/29/60/64/453296064.db2.gz KQCMWYBFXAEXQO-SFYZADRCSA-N 2 1 344.278 1.971 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc1F ZINC000653112554 453299582 /nfs/dbraw/zinc/29/95/82/453299582.db2.gz AWZFACFJOJIPOB-OAHLLOKOSA-N 2 1 333.411 1.215 20 0 EDADMP CCCN(C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000666978737 453299770 /nfs/dbraw/zinc/29/97/70/453299770.db2.gz CROKPQOFJZUZMD-IRXDYDNUSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653114464 453301066 /nfs/dbraw/zinc/30/10/66/453301066.db2.gz JBTXQCTWZQULIA-NBMJBFSESA-N 2 1 348.535 1.534 20 0 EDADMP C[C@H]1C[NH+](CCN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@H](C)O1 ZINC000660439424 453310033 /nfs/dbraw/zinc/31/00/33/453310033.db2.gz ZJOIIXMTYQABGU-ULQDDVLXSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@H]1C[NH+](CCN2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@H](C)O1 ZINC000660439424 453310044 /nfs/dbraw/zinc/31/00/44/453310044.db2.gz ZJOIIXMTYQABGU-ULQDDVLXSA-N 2 1 325.497 1.281 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000653121794 453312589 /nfs/dbraw/zinc/31/25/89/453312589.db2.gz BUYKCPKTMBWJRE-DZKIICNBSA-N 2 1 338.521 1.526 20 0 EDADMP COc1c[nH+]ccc1N1CCN(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000660453494 453321145 /nfs/dbraw/zinc/32/11/45/453321145.db2.gz OMWZELXHBDXTKP-IYBDPMFKSA-N 2 1 334.464 1.321 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000660486690 453343113 /nfs/dbraw/zinc/34/31/13/453343113.db2.gz MEGULQCVUZNWDL-ZFWWWQNUSA-N 2 1 339.446 1.940 20 0 EDADMP C[C@@H](CCNC(=O)[C@@H]([NH3+])c1ccccc1Br)[NH+](C)C ZINC000662632302 453348136 /nfs/dbraw/zinc/34/81/36/453348136.db2.gz BKHQWMQCNXAZSP-GWCFXTLKSA-N 2 1 328.254 1.905 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000653175947 453365921 /nfs/dbraw/zinc/36/59/21/453365921.db2.gz GUGRLKRLPBUVEG-HDMKZQKVSA-N 2 1 325.497 1.613 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000658780594 453389080 /nfs/dbraw/zinc/38/90/80/453389080.db2.gz ZHKBDPQCBOXUGX-INIZCTEOSA-N 2 1 346.475 1.596 20 0 EDADMP C[NH+](C)CCOc1cccc(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)c1 ZINC000662673640 453391079 /nfs/dbraw/zinc/39/10/79/453391079.db2.gz NTAHDWDMRBJFFT-CYBMUJFWSA-N 2 1 343.431 1.679 20 0 EDADMP C[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[N@H+]1CCCC[C@@H]1C ZINC000662679497 453400669 /nfs/dbraw/zinc/40/06/69/453400669.db2.gz PEYJKQIXGMZFMK-KBPBESRZSA-N 2 1 334.468 1.195 20 0 EDADMP Cc1ccc(NCCCNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[nH+]c1 ZINC000662736769 453463448 /nfs/dbraw/zinc/46/34/48/453463448.db2.gz TUTPWZAAQCCGDV-CQSZACIVSA-N 2 1 330.354 1.850 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000662740995 453465686 /nfs/dbraw/zinc/46/56/86/453465686.db2.gz BQHZQZQQQPSJNI-GOSISDBHSA-N 2 1 330.476 1.061 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000662740995 453465695 /nfs/dbraw/zinc/46/56/95/453465695.db2.gz BQHZQZQQQPSJNI-GOSISDBHSA-N 2 1 330.476 1.061 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C3CC[NH2+]CC3)no2)[C@H](C)C1 ZINC000662743869 453470933 /nfs/dbraw/zinc/47/09/33/453470933.db2.gz ABUNHHNXPFKDDO-CZUORRHYSA-N 2 1 334.464 1.944 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000662760599 453498383 /nfs/dbraw/zinc/49/83/83/453498383.db2.gz XXZOBABYCMAYJL-KRWDZBQOSA-N 2 1 342.487 1.184 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000660740633 453557023 /nfs/dbraw/zinc/55/70/23/453557023.db2.gz RIZXJJFNRGYUGM-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660740633 453557031 /nfs/dbraw/zinc/55/70/31/453557031.db2.gz RIZXJJFNRGYUGM-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660740633 453557041 /nfs/dbraw/zinc/55/70/41/453557041.db2.gz RIZXJJFNRGYUGM-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NCCc2cn3cccc(C)c3n2)C1 ZINC000660788462 453574635 /nfs/dbraw/zinc/57/46/35/453574635.db2.gz JQRAGYOXPHTMHS-INIZCTEOSA-N 2 1 329.448 1.969 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659041697 453596265 /nfs/dbraw/zinc/59/62/65/453596265.db2.gz KTVRRCIXPZWGEG-IAGOWNOFSA-N 2 1 332.448 1.905 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662924815 453608058 /nfs/dbraw/zinc/60/80/58/453608058.db2.gz IPXIVZCBITVPTK-UHFFFAOYSA-N 2 1 340.512 1.153 20 0 EDADMP Cc1[nH+]ccn1CCC[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC000660859534 453617499 /nfs/dbraw/zinc/61/74/99/453617499.db2.gz MQBAQVSYSLBZGA-UHFFFAOYSA-N 2 1 335.452 1.088 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000665240883 453620897 /nfs/dbraw/zinc/62/08/97/453620897.db2.gz VEVXAEXVZGFZLQ-KLIQENQMSA-N 3 1 333.476 1.095 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662972480 453630537 /nfs/dbraw/zinc/63/05/37/453630537.db2.gz JOSNMSSNMYDJKU-WMLDXEAASA-N 2 1 335.448 1.264 20 0 EDADMP CCO[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665640395 453778342 /nfs/dbraw/zinc/77/83/42/453778342.db2.gz TXFCROBMXOWNLW-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CCO[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665640395 453778346 /nfs/dbraw/zinc/77/83/46/453778346.db2.gz TXFCROBMXOWNLW-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000661316903 453791124 /nfs/dbraw/zinc/79/11/24/453791124.db2.gz YMOICXRHUNJWIG-NVXWUHKLSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361426 453799805 /nfs/dbraw/zinc/79/98/05/453799805.db2.gz MCGMCXPOZNNRIT-JONQDZQNSA-N 2 1 326.485 1.268 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361426 453799811 /nfs/dbraw/zinc/79/98/11/453799811.db2.gz MCGMCXPOZNNRIT-JONQDZQNSA-N 2 1 326.485 1.268 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361426 453799814 /nfs/dbraw/zinc/79/98/14/453799814.db2.gz MCGMCXPOZNNRIT-JONQDZQNSA-N 2 1 326.485 1.268 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361426 453799816 /nfs/dbraw/zinc/79/98/16/453799816.db2.gz MCGMCXPOZNNRIT-JONQDZQNSA-N 2 1 326.485 1.268 20 0 EDADMP CO[C@]1(CO)CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000661390941 453805806 /nfs/dbraw/zinc/80/58/06/453805806.db2.gz ZSVDTXXIUOKVPL-LJQANCHMSA-N 2 1 334.460 1.492 20 0 EDADMP CN(c1ccccc1)[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000663499983 453811051 /nfs/dbraw/zinc/81/10/51/453811051.db2.gz HOKNDLFKNVIXKB-AEFFLSMTSA-N 2 1 330.476 1.394 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000676245118 486705192 /nfs/dbraw/zinc/70/51/92/486705192.db2.gz FFZZTYSBKOLQMX-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000676245118 486705196 /nfs/dbraw/zinc/70/51/96/486705196.db2.gz FFZZTYSBKOLQMX-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000676245118 486705200 /nfs/dbraw/zinc/70/52/00/486705200.db2.gz FFZZTYSBKOLQMX-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676245118 486705204 /nfs/dbraw/zinc/70/52/04/486705204.db2.gz FFZZTYSBKOLQMX-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000676305726 486728530 /nfs/dbraw/zinc/72/85/30/486728530.db2.gz IREVALOESGMMMC-XUWVNRHRSA-N 2 1 326.485 1.220 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000676305726 486728532 /nfs/dbraw/zinc/72/85/32/486728532.db2.gz IREVALOESGMMMC-XUWVNRHRSA-N 2 1 326.485 1.220 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000676305726 486728535 /nfs/dbraw/zinc/72/85/35/486728535.db2.gz IREVALOESGMMMC-XUWVNRHRSA-N 2 1 326.485 1.220 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000676305726 486728538 /nfs/dbraw/zinc/72/85/38/486728538.db2.gz IREVALOESGMMMC-XUWVNRHRSA-N 2 1 326.485 1.220 20 0 EDADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000676333679 486738259 /nfs/dbraw/zinc/73/82/59/486738259.db2.gz NIUFPWXOSCYQNS-QAPCUYQASA-N 2 1 346.475 1.442 20 0 EDADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000676333679 486738264 /nfs/dbraw/zinc/73/82/64/486738264.db2.gz NIUFPWXOSCYQNS-QAPCUYQASA-N 2 1 346.475 1.442 20 0 EDADMP C[NH+](C)CC1(C(=O)NCCCN2CCC[N@@H+](C)CC2)CCCCC1 ZINC000683850439 486839226 /nfs/dbraw/zinc/83/92/26/486839226.db2.gz FGOUKPFZFBMDGN-UHFFFAOYSA-N 2 1 338.540 1.642 20 0 EDADMP CN1CCC[N@H+](CCCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000683850439 486839231 /nfs/dbraw/zinc/83/92/31/486839231.db2.gz FGOUKPFZFBMDGN-UHFFFAOYSA-N 2 1 338.540 1.642 20 0 EDADMP CN1CCC[N@@H+](CCCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000683850439 486839235 /nfs/dbraw/zinc/83/92/35/486839235.db2.gz FGOUKPFZFBMDGN-UHFFFAOYSA-N 2 1 338.540 1.642 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000165803761 486847611 /nfs/dbraw/zinc/84/76/11/486847611.db2.gz IYKPNZGVBXSURR-QGZVFWFLSA-N 2 1 346.475 1.315 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000667784855 486963178 /nfs/dbraw/zinc/96/31/78/486963178.db2.gz BYWXYWIEWSPWJT-QGZVFWFLSA-N 2 1 332.448 1.735 20 0 EDADMP CC[NH+]1CCN(c2nc(N3CC[N@H+](CC)[C@@H](C)C3)ncc2C)C[C@@H]1C ZINC000677153820 486987024 /nfs/dbraw/zinc/98/70/24/486987024.db2.gz WIPKSKOGYACEAC-IRXDYDNUSA-N 2 1 346.523 1.846 20 0 EDADMP CC[NH+]1CCN(c2ncc(C)c(N3CC[N@H+](CC)[C@@H](C)C3)n2)C[C@@H]1C ZINC000677153820 486987029 /nfs/dbraw/zinc/98/70/29/486987029.db2.gz WIPKSKOGYACEAC-IRXDYDNUSA-N 2 1 346.523 1.846 20 0 EDADMP CC[NH+]1CCN(c2ncc(C)c(N3CC[N@@H+](CC)[C@@H](C)C3)n2)C[C@@H]1C ZINC000677153820 486987032 /nfs/dbraw/zinc/98/70/32/486987032.db2.gz WIPKSKOGYACEAC-IRXDYDNUSA-N 2 1 346.523 1.846 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000673446223 487003300 /nfs/dbraw/zinc/00/33/00/487003300.db2.gz MQTLVCQIYSZEDT-IBGZPJMESA-N 2 1 344.503 1.648 20 0 EDADMP COC1CCC(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC000681975634 487269196 /nfs/dbraw/zinc/26/91/96/487269196.db2.gz GNKXSWYFRFBLRL-UHFFFAOYSA-N 2 1 332.448 1.977 20 0 EDADMP COC[C@@H](C)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000685460696 487279521 /nfs/dbraw/zinc/27/95/21/487279521.db2.gz GGQHBBSFUSBVDR-YESZJQIVSA-N 2 1 328.497 1.859 20 0 EDADMP COC[C@@H](C)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000685460696 487279525 /nfs/dbraw/zinc/27/95/25/487279525.db2.gz GGQHBBSFUSBVDR-YESZJQIVSA-N 2 1 328.497 1.859 20 0 EDADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470505 487280184 /nfs/dbraw/zinc/28/01/84/487280184.db2.gz YWHIXCHOAGGRLS-CJNGLKHVSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470505 487280186 /nfs/dbraw/zinc/28/01/86/487280186.db2.gz YWHIXCHOAGGRLS-CJNGLKHVSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470505 487280189 /nfs/dbraw/zinc/28/01/89/487280189.db2.gz YWHIXCHOAGGRLS-CJNGLKHVSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470505 487280192 /nfs/dbraw/zinc/28/01/92/487280192.db2.gz YWHIXCHOAGGRLS-CJNGLKHVSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470505 487280195 /nfs/dbraw/zinc/28/01/95/487280195.db2.gz YWHIXCHOAGGRLS-CJNGLKHVSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470505 487280198 /nfs/dbraw/zinc/28/01/98/487280198.db2.gz YWHIXCHOAGGRLS-CJNGLKHVSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470505 487280200 /nfs/dbraw/zinc/28/02/00/487280200.db2.gz YWHIXCHOAGGRLS-CJNGLKHVSA-N 2 1 325.478 1.830 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000675192511 487387064 /nfs/dbraw/zinc/38/70/64/487387064.db2.gz YCNLFRPCZBVBAW-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000675250683 487393298 /nfs/dbraw/zinc/39/32/98/487393298.db2.gz JPUOWLYVNCJNSS-GOSISDBHSA-N 2 1 345.491 1.608 20 0 EDADMP CCOc1nc(C)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000682900793 487427988 /nfs/dbraw/zinc/42/79/88/487427988.db2.gz XQWRANBDUYNLME-OAHLLOKOSA-N 2 1 346.475 1.687 20 0 EDADMP CCOc1nc(C)ccc1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000682900793 487427991 /nfs/dbraw/zinc/42/79/91/487427991.db2.gz XQWRANBDUYNLME-OAHLLOKOSA-N 2 1 346.475 1.687 20 0 EDADMP C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000669538385 485521084 /nfs/dbraw/zinc/52/10/84/485521084.db2.gz OHKFSVMNHFTOOV-BHYGNILZSA-N 2 1 334.464 1.485 20 0 EDADMP C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538385 485521092 /nfs/dbraw/zinc/52/10/92/485521092.db2.gz OHKFSVMNHFTOOV-BHYGNILZSA-N 2 1 334.464 1.485 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c(N2CCCC2)[nH+]1 ZINC000669555721 485557723 /nfs/dbraw/zinc/55/77/23/485557723.db2.gz BXNLMXYWNNKNJH-CJNGLKHVSA-N 2 1 331.464 1.869 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c(N2CCCC2)[nH+]1 ZINC000669555680 485558105 /nfs/dbraw/zinc/55/81/05/485558105.db2.gz ACAMWRAYLLQLCV-IBGZPJMESA-N 2 1 343.475 1.885 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000669557872 485563811 /nfs/dbraw/zinc/56/38/11/485563811.db2.gz JVKBIZLDLSZIJG-NYLIBXOJSA-N 2 1 340.471 1.414 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000669091458 485638467 /nfs/dbraw/zinc/63/84/67/485638467.db2.gz JYSXZADWTOTKBS-HNNXBMFYSA-N 2 1 349.479 1.077 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000669091458 485638474 /nfs/dbraw/zinc/63/84/74/485638474.db2.gz JYSXZADWTOTKBS-HNNXBMFYSA-N 2 1 349.479 1.077 20 0 EDADMP CCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000669182741 485782518 /nfs/dbraw/zinc/78/25/18/485782518.db2.gz MBYSXYGUQVAJPO-INIZCTEOSA-N 2 1 340.512 1.164 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1cnn(C)c1 ZINC000344431147 485947226 /nfs/dbraw/zinc/94/72/26/485947226.db2.gz COJLPYMMOGBPSB-FGTMMUONSA-N 2 1 347.507 1.494 20 0 EDADMP C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)CC2 ZINC000346030517 485987072 /nfs/dbraw/zinc/98/70/72/485987072.db2.gz FORJIMAQHAXBFN-MSOLQXFVSA-N 2 1 349.519 1.820 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000669389703 486025885 /nfs/dbraw/zinc/02/58/85/486025885.db2.gz ZOTBSNBRWZDZKG-IJEWVQPXSA-N 2 1 348.516 1.888 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000669389703 486025891 /nfs/dbraw/zinc/02/58/91/486025891.db2.gz ZOTBSNBRWZDZKG-IJEWVQPXSA-N 2 1 348.516 1.888 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2C)CC1 ZINC000668930864 486355500 /nfs/dbraw/zinc/35/55/00/486355500.db2.gz BINHVAFKRLKPCZ-OAGGEKHMSA-N 2 1 348.495 1.271 20 0 EDADMP CC(C)C[NH+]1CCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2C)CC1 ZINC000668934981 486361588 /nfs/dbraw/zinc/36/15/88/486361588.db2.gz WLLAKAQRIHXPNM-CVEARBPZSA-N 2 1 348.495 1.129 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000132867151 491217819 /nfs/dbraw/zinc/21/78/19/491217819.db2.gz JTRBMMLMRYHGKB-HUUCEWRRSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000132867151 491217821 /nfs/dbraw/zinc/21/78/21/491217821.db2.gz JTRBMMLMRYHGKB-HUUCEWRRSA-N 2 1 326.485 1.269 20 0 EDADMP COC1CC[NH+](CCNC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000080073370 491170525 /nfs/dbraw/zinc/17/05/25/491170525.db2.gz RHZPMTNGQAXYNH-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC000153965041 534372087 /nfs/dbraw/zinc/37/20/87/534372087.db2.gz HYISMOYJHYZVNL-SOLBZPMBSA-N 2 1 330.476 1.184 20 0 EDADMP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158793416 534574669 /nfs/dbraw/zinc/57/46/69/534574669.db2.gz SBTADASQLSRSPO-IEBWSBKVSA-N 2 1 345.512 1.989 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000237242777 536453908 /nfs/dbraw/zinc/45/39/08/536453908.db2.gz AKHRBZOKPZKXES-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000237242777 536453910 /nfs/dbraw/zinc/45/39/10/536453910.db2.gz AKHRBZOKPZKXES-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188729793 527025245 /nfs/dbraw/zinc/02/52/45/527025245.db2.gz MGFHRVQSXOVWCD-HNNXBMFYSA-N 2 1 339.443 1.450 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000174184471 527959487 /nfs/dbraw/zinc/95/94/87/527959487.db2.gz CCXJDNMNHBFCSY-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C2CCC2)C1 ZINC000245994442 535110787 /nfs/dbraw/zinc/11/07/87/535110787.db2.gz AYUIADWSSXDHCE-ROUUACIJSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C2CCC2)C1 ZINC000245994442 535110792 /nfs/dbraw/zinc/11/07/92/535110792.db2.gz AYUIADWSSXDHCE-ROUUACIJSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C2CCC2)C1 ZINC000245994442 535110795 /nfs/dbraw/zinc/11/07/95/535110795.db2.gz AYUIADWSSXDHCE-ROUUACIJSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C)c2ccncc2)C1 ZINC000246088011 535119242 /nfs/dbraw/zinc/11/92/42/535119242.db2.gz ITCPCBLLADEQBP-NVXWUHKLSA-N 2 1 334.464 1.205 20 0 EDADMP CC[NH+](CC)CCNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000047578122 535536344 /nfs/dbraw/zinc/53/63/44/535536344.db2.gz BYZJDTLULHAYKQ-UHFFFAOYSA-N 2 1 348.491 1.660 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCCCO)CC2)CC1 ZINC000066666894 535613401 /nfs/dbraw/zinc/61/34/01/535613401.db2.gz UKKDQBNPSINBMX-UHFFFAOYSA-N 2 1 325.497 1.415 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)CCc3ccccc3)C2)CC1 ZINC000248557053 535735028 /nfs/dbraw/zinc/73/50/28/535735028.db2.gz IKDGIUCISHMUQO-UXHICEINSA-N 2 1 331.504 1.692 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC3(C[NH3+])CCCC3)cc2F)CC1 ZINC000236994822 535744101 /nfs/dbraw/zinc/74/41/01/535744101.db2.gz UJLUBAKXZKTTIA-UHFFFAOYSA-N 2 1 348.466 1.969 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262550092 535771900 /nfs/dbraw/zinc/77/19/00/535771900.db2.gz SWOBOOOQEJEBFJ-SQNIBIBYSA-N 2 1 331.460 1.080 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NCCCN2CC[NH2+]CC2)cc1)C(C)C ZINC000236994598 535782739 /nfs/dbraw/zinc/78/27/39/535782739.db2.gz LCZMBYDGXBGKDV-UHFFFAOYSA-N 2 1 346.519 1.942 20 0 EDADMP CCn1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)cn1 ZINC000093141526 536050687 /nfs/dbraw/zinc/05/06/87/536050687.db2.gz KEUURJSLOCQYKF-UHFFFAOYSA-N 2 1 347.507 1.669 20 0 EDADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000247593341 536358684 /nfs/dbraw/zinc/35/86/84/536358684.db2.gz NRSYJHPPVFQMRE-RBUKOAKNSA-N 2 1 347.503 1.528 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000247593341 536358686 /nfs/dbraw/zinc/35/86/86/536358686.db2.gz NRSYJHPPVFQMRE-RBUKOAKNSA-N 2 1 347.503 1.528 20 0 EDADMP C[NH2+][C@H](C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000262315574 536381062 /nfs/dbraw/zinc/38/10/62/536381062.db2.gz DKWDIYBQGUDUFX-DZKIICNBSA-N 2 1 335.496 1.553 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(C[NH3+])CCOCC1 ZINC000262121645 536433675 /nfs/dbraw/zinc/43/36/75/536433675.db2.gz FYTJMCYFSBIGES-SFHVURJKSA-N 2 1 345.487 1.722 20 0 EDADMP COc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1SC ZINC000347112671 536755543 /nfs/dbraw/zinc/75/55/43/536755543.db2.gz RNUKXXLWGYMIDL-AWEZNQCLSA-N 2 1 337.489 1.704 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000261793188 536769741 /nfs/dbraw/zinc/76/97/41/536769741.db2.gz ZDNSYDRCQGCAIM-AWEZNQCLSA-N 2 1 341.402 1.776 20 0 EDADMP COCC1(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000262415679 536807763 /nfs/dbraw/zinc/80/77/63/536807763.db2.gz TXVKRUASRIONCI-GASCZTMLSA-N 2 1 341.496 1.007 20 0 EDADMP COCC1(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000262415679 536807770 /nfs/dbraw/zinc/80/77/70/536807770.db2.gz TXVKRUASRIONCI-GASCZTMLSA-N 2 1 341.496 1.007 20 0 EDADMP NC(=O)COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000743851397 579492342 /nfs/dbraw/zinc/49/23/42/579492342.db2.gz GCFMBMPKRJSNMG-QGZVFWFLSA-N 2 1 331.460 1.859 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000743851397 579492343 /nfs/dbraw/zinc/49/23/43/579492343.db2.gz GCFMBMPKRJSNMG-QGZVFWFLSA-N 2 1 331.460 1.859 20 0 EDADMP CCOCCN1CCN(C(=S)NC[C@@H]2CCC[N@H+]2CC)C[C@@H]1C ZINC000735240815 578871094 /nfs/dbraw/zinc/87/10/94/578871094.db2.gz FGKNWXGRDXVAFT-HOTGVXAUSA-N 2 1 342.553 1.388 20 0 EDADMP CCOCC[N@H+]1CCN(C(=S)NC[C@@H]2CCC[NH+]2CC)C[C@@H]1C ZINC000735240815 578871098 /nfs/dbraw/zinc/87/10/98/578871098.db2.gz FGKNWXGRDXVAFT-HOTGVXAUSA-N 2 1 342.553 1.388 20 0 EDADMP CCOCC[NH+]1CCN(C(=S)NC[C@@H]2CCC[N@@H+]2CC)C[C@@H]1C ZINC000735240815 578871100 /nfs/dbraw/zinc/87/11/00/578871100.db2.gz FGKNWXGRDXVAFT-HOTGVXAUSA-N 2 1 342.553 1.388 20 0 EDADMP CCOCC[NH+]1CCN(C(=S)NC[C@@H]2CCC[N@H+]2CC)C[C@@H]1C ZINC000735240815 578871102 /nfs/dbraw/zinc/87/11/02/578871102.db2.gz FGKNWXGRDXVAFT-HOTGVXAUSA-N 2 1 342.553 1.388 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000739800403 579252892 /nfs/dbraw/zinc/25/28/92/579252892.db2.gz OKWKPMVTWLNYGJ-UHFFFAOYSA-N 2 1 331.460 1.838 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=S)NCC2CC[NH+](C)CC2)CCCO1 ZINC000761551517 580059135 /nfs/dbraw/zinc/05/91/35/580059135.db2.gz RAOCAGXMKORVBM-OAHLLOKOSA-N 2 1 342.553 1.293 20 0 EDADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccc(O)cc1 ZINC000745991590 579569276 /nfs/dbraw/zinc/56/92/76/579569276.db2.gz ZYCZYPGESWPNGF-UHFFFAOYSA-N 2 1 347.459 1.908 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=S)NCC(C)(C)C[NH+](C)C ZINC000746541655 579600060 /nfs/dbraw/zinc/60/00/60/579600060.db2.gz GDKJMCUCIMPMDP-UHFFFAOYSA-N 2 1 325.526 1.976 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000757228738 579965937 /nfs/dbraw/zinc/96/59/37/579965937.db2.gz DPCKJDBZZUZQIJ-OAHLLOKOSA-N 2 1 336.484 1.544 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000763121176 580093427 /nfs/dbraw/zinc/09/34/27/580093427.db2.gz LSFHAOSBZQMSHN-SFHVURJKSA-N 2 1 340.512 1.399 20 0 EDADMP CCNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000772976509 580324519 /nfs/dbraw/zinc/32/45/19/580324519.db2.gz HDJHKOBEWRVWIL-RDJZCZTQSA-N 2 1 339.505 1.426 20 0 EDADMP CCNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000772976509 580324520 /nfs/dbraw/zinc/32/45/20/580324520.db2.gz HDJHKOBEWRVWIL-RDJZCZTQSA-N 2 1 339.505 1.426 20 0 EDADMP CCO[C@@H](C)c1noc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000779652350 580493049 /nfs/dbraw/zinc/49/30/49/580493049.db2.gz HINBPBSKQZUSJB-RYUDHWBXSA-N 2 1 341.412 1.275 20 0 EDADMP CCO[C@@H](C)c1noc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000779652350 580493050 /nfs/dbraw/zinc/49/30/50/580493050.db2.gz HINBPBSKQZUSJB-RYUDHWBXSA-N 2 1 341.412 1.275 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cnn(C)n1 ZINC000786289160 580666441 /nfs/dbraw/zinc/66/64/41/580666441.db2.gz ZWELNIYQLVDCKX-UHFFFAOYSA-N 2 1 348.495 1.083 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786792409 580679401 /nfs/dbraw/zinc/67/94/01/580679401.db2.gz IFCOPAMNKBYVQS-HNNXBMFYSA-N 2 1 334.464 1.835 20 0 EDADMP O=C1O[C@]2(CN1C[N@@H+]1CC[C@@H](c3ccco3)C1)C[NH+]1CCC2CC1 ZINC000790364357 580767693 /nfs/dbraw/zinc/76/76/93/580767693.db2.gz YLWSBQFVSRVTFQ-KDOFPFPSSA-N 2 1 331.416 1.943 20 0 EDADMP O=C1O[C@]2(CN1C[N@H+]1CC[C@@H](c3ccco3)C1)C[NH+]1CCC2CC1 ZINC000790364357 580767694 /nfs/dbraw/zinc/76/76/94/580767694.db2.gz YLWSBQFVSRVTFQ-KDOFPFPSSA-N 2 1 331.416 1.943 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795939607 580941817 /nfs/dbraw/zinc/94/18/17/580941817.db2.gz SJUDLKZXIGGWLX-KRWDZBQOSA-N 2 1 326.481 1.746 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNc2cc[nH+]cc2CO)CC1 ZINC000891807056 590629647 /nfs/dbraw/zinc/62/96/47/590629647.db2.gz IZTPOIFAIKDTJK-UHFFFAOYSA-N 2 1 340.471 1.745 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000891818800 590636166 /nfs/dbraw/zinc/63/61/66/590636166.db2.gz YKDYNLDMGKOEEK-JQHSSLGASA-N 2 1 330.476 1.934 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NCC(C)(C)[NH3+])C1 ZINC000892034223 590762189 /nfs/dbraw/zinc/76/21/89/590762189.db2.gz MKNZEFGNMVACOA-MRXNPFEDSA-N 2 1 334.464 1.232 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NCC(C)(C)[NH3+])C1 ZINC000892034223 590762191 /nfs/dbraw/zinc/76/21/91/590762191.db2.gz MKNZEFGNMVACOA-MRXNPFEDSA-N 2 1 334.464 1.232 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000892095941 590795522 /nfs/dbraw/zinc/79/55/22/590795522.db2.gz ZBWKZMULPBZVLU-SZMVWBNQSA-N 2 1 330.476 1.867 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892152367 590824150 /nfs/dbraw/zinc/82/41/50/590824150.db2.gz GWXWBGFGZIVBEM-CRAIPNDOSA-N 2 1 331.508 1.755 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000893397653 590840487 /nfs/dbraw/zinc/84/04/87/590840487.db2.gz COKMXYWRQWLFHW-KRWDZBQOSA-N 2 1 340.512 1.611 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)CCCO3)CC1 ZINC000892176160 590845922 /nfs/dbraw/zinc/84/59/22/590845922.db2.gz RPLMBWCFILQQAE-GOSISDBHSA-N 2 1 343.471 1.750 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892235556 590878450 /nfs/dbraw/zinc/87/84/50/590878450.db2.gz WCZAWHKQNQQFEN-UUAJXVIYSA-N 2 1 342.455 1.804 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892235556 590878451 /nfs/dbraw/zinc/87/84/51/590878451.db2.gz WCZAWHKQNQQFEN-UUAJXVIYSA-N 2 1 342.455 1.804 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892265355 590898581 /nfs/dbraw/zinc/89/85/81/590898581.db2.gz NXJDPWCYWICIQO-KRWDZBQOSA-N 2 1 347.507 1.229 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892265355 590898583 /nfs/dbraw/zinc/89/85/83/590898583.db2.gz NXJDPWCYWICIQO-KRWDZBQOSA-N 2 1 347.507 1.229 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000892288312 590916714 /nfs/dbraw/zinc/91/67/14/590916714.db2.gz AFLZUZHJWCXANU-WBVHZDCISA-N 2 1 332.448 1.063 20 0 EDADMP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)[NH+](C)C)cc1 ZINC000892410213 591016740 /nfs/dbraw/zinc/01/67/40/591016740.db2.gz QBQNWHJQQZZZOH-BZSNNMDCSA-N 2 1 330.476 1.943 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC000892529763 591060270 /nfs/dbraw/zinc/06/02/70/591060270.db2.gz AJFKNEGJWHQBPE-MSOLQXFVSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N3CCCO[C@H](C[NH3+])C3)C2)cc1 ZINC000892529936 591060370 /nfs/dbraw/zinc/06/03/70/591060370.db2.gz GBKIKSHAMMQXFL-QZTJIDSGSA-N 2 1 346.475 1.329 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000892535342 591064575 /nfs/dbraw/zinc/06/45/75/591064575.db2.gz DECSXMYGYOGVNT-BPQIPLTHSA-N 2 1 346.475 1.327 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000892535342 591064579 /nfs/dbraw/zinc/06/45/79/591064579.db2.gz DECSXMYGYOGVNT-BPQIPLTHSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000891447422 591074670 /nfs/dbraw/zinc/07/46/70/591074670.db2.gz VZXAIXIITFTLMD-ZAAXVRCTSA-N 2 1 342.487 1.684 20 0 EDADMP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000892606875 591092136 /nfs/dbraw/zinc/09/21/36/591092136.db2.gz LMJFEWACIRENQG-YYIAUSFCSA-N 2 1 336.480 1.023 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000891515467 591102284 /nfs/dbraw/zinc/10/22/84/591102284.db2.gz AVXGMGVKFHYFOH-ZIAGYGMSSA-N 2 1 332.439 1.651 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000891536611 591113647 /nfs/dbraw/zinc/11/36/47/591113647.db2.gz DNCDKJVJUJQUQK-OAHLLOKOSA-N 2 1 326.485 1.400 20 0 EDADMP COc1cccc([C@H](CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)[NH+](C)C)c1 ZINC000891539364 591116301 /nfs/dbraw/zinc/11/63/01/591116301.db2.gz RUISJKWVGTYJKG-NJAFHUGGSA-N 2 1 346.475 1.643 20 0 EDADMP C[NH+]1CC[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000893876990 591125528 /nfs/dbraw/zinc/12/55/28/591125528.db2.gz DHGCYDXXIQLEOY-XMTFNYHQSA-N 2 1 328.460 1.635 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCCCC[C@@H]([NH3+])C3)C2)CC1 ZINC000891561131 591125954 /nfs/dbraw/zinc/12/59/54/591125954.db2.gz URVPGOSCMWQUBG-CVEARBPZSA-N 2 1 337.512 1.068 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCCCC[C@@H]([NH3+])C3)C2)CC1 ZINC000891561131 591125955 /nfs/dbraw/zinc/12/59/55/591125955.db2.gz URVPGOSCMWQUBG-CVEARBPZSA-N 2 1 337.512 1.068 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1C ZINC000892780609 591172988 /nfs/dbraw/zinc/17/29/88/591172988.db2.gz SMIJMCKJRUIRCV-OWCLPIDISA-N 2 1 338.496 1.269 20 0 EDADMP CC1(C)CC[N@@H+](CCNC(=O)NCCc2cn3ccccc3n2)C1 ZINC000891719385 591197907 /nfs/dbraw/zinc/19/79/07/591197907.db2.gz RCPCZLSMDYTWCK-UHFFFAOYSA-N 2 1 329.448 1.908 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000892883751 591216310 /nfs/dbraw/zinc/21/63/10/591216310.db2.gz FCLDHHSYKUWSKF-HNNXBMFYSA-N 2 1 340.512 1.659 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000892944850 591233362 /nfs/dbraw/zinc/23/33/62/591233362.db2.gz OZPCAUZFFGTBQT-IXDOHACOSA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892944850 591233363 /nfs/dbraw/zinc/23/33/63/591233363.db2.gz OZPCAUZFFGTBQT-IXDOHACOSA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000892944850 591233366 /nfs/dbraw/zinc/23/33/66/591233366.db2.gz OZPCAUZFFGTBQT-IXDOHACOSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000895653338 591244475 /nfs/dbraw/zinc/24/44/75/591244475.db2.gz GIXRWVDEBVGQNC-DNVCBOLYSA-N 2 1 343.471 1.270 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000895874930 591292188 /nfs/dbraw/zinc/29/21/88/591292188.db2.gz KEXNARYIFRKYSF-YVSFHVDLSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000895874930 591292191 /nfs/dbraw/zinc/29/21/91/591292191.db2.gz KEXNARYIFRKYSF-YVSFHVDLSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000895874930 591292192 /nfs/dbraw/zinc/29/21/92/591292192.db2.gz KEXNARYIFRKYSF-YVSFHVDLSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000895874930 591292193 /nfs/dbraw/zinc/29/21/93/591292193.db2.gz KEXNARYIFRKYSF-YVSFHVDLSA-N 2 1 337.508 1.959 20 0 EDADMP COC1CCC(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000894451335 591315777 /nfs/dbraw/zinc/31/57/77/591315777.db2.gz KNIKJOVCPKHXMU-UHFFFAOYSA-N 2 1 337.508 1.678 20 0 EDADMP Cc1cn(C(C)(C)C(=O)NCC2CCN(CC[NH+](C)C)CC2)cn1 ZINC000896410432 591457670 /nfs/dbraw/zinc/45/76/70/591457670.db2.gz MTOIBOUYXOCSJL-UHFFFAOYSA-N 2 1 335.496 1.316 20 0 EDADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000897454076 591459665 /nfs/dbraw/zinc/45/96/65/591459665.db2.gz ACTFOLQVVRSLTB-MAUKXSAKSA-N 2 1 348.491 1.939 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000897518149 591520013 /nfs/dbraw/zinc/52/00/13/591520013.db2.gz DDSGKPMRLDIRCZ-OAHLLOKOSA-N 2 1 338.496 1.413 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000896608926 591550911 /nfs/dbraw/zinc/55/09/11/591550911.db2.gz JJCZGQQFTWNYHW-QXSJWSMHSA-N 2 1 338.521 1.444 20 0 EDADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000896608926 591550912 /nfs/dbraw/zinc/55/09/12/591550912.db2.gz JJCZGQQFTWNYHW-QXSJWSMHSA-N 2 1 338.521 1.444 20 0 EDADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000896608926 591550916 /nfs/dbraw/zinc/55/09/16/591550916.db2.gz JJCZGQQFTWNYHW-QXSJWSMHSA-N 2 1 338.521 1.444 20 0 EDADMP C[NH+](C)[C@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C12CCC2 ZINC000898831760 591551734 /nfs/dbraw/zinc/55/17/34/591551734.db2.gz UMQKHCJGQOSZEH-HOTGVXAUSA-N 2 1 325.416 1.870 20 0 EDADMP Cc1cn(C(C)(C)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cn1 ZINC000897593127 591574513 /nfs/dbraw/zinc/57/45/13/591574513.db2.gz AIRIEDDRRQCRAY-OAHLLOKOSA-N 2 1 334.464 1.638 20 0 EDADMP Cc1cn(C(C)(C)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cn1 ZINC000897593127 591574516 /nfs/dbraw/zinc/57/45/16/591574516.db2.gz AIRIEDDRRQCRAY-OAHLLOKOSA-N 2 1 334.464 1.638 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+]1CCC(C)(C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000895602880 591815371 /nfs/dbraw/zinc/81/53/71/591815371.db2.gz FJIHXFZOOATHFH-HRCADAONSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@@H+]1CCC(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895602880 591815375 /nfs/dbraw/zinc/81/53/75/591815375.db2.gz FJIHXFZOOATHFH-HRCADAONSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+]1CCC(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895602880 591815379 /nfs/dbraw/zinc/81/53/79/591815379.db2.gz FJIHXFZOOATHFH-HRCADAONSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCC(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895602880 591815388 /nfs/dbraw/zinc/81/53/88/591815388.db2.gz FJIHXFZOOATHFH-HRCADAONSA-N 2 1 340.512 1.515 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000895603639 591815793 /nfs/dbraw/zinc/81/57/93/591815793.db2.gz QVOPNUYKWWGYIM-YSHGAJCASA-N 2 1 344.503 1.971 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000900106621 591909409 /nfs/dbraw/zinc/90/94/09/591909409.db2.gz PHPAEOUMQHZYPE-ICSRJNTNSA-N 2 1 345.487 1.787 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000900204610 591940973 /nfs/dbraw/zinc/94/09/73/591940973.db2.gz LNPDWIRJJVXKPL-INIZCTEOSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000900204610 591940975 /nfs/dbraw/zinc/94/09/75/591940975.db2.gz LNPDWIRJJVXKPL-INIZCTEOSA-N 2 1 339.480 1.110 20 0 EDADMP COc1cn(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)cc1=O ZINC000902193581 591941519 /nfs/dbraw/zinc/94/15/19/591941519.db2.gz CRNXOAWSNCKZRU-HLLBOEOZSA-N 2 1 335.448 1.306 20 0 EDADMP COc1cn(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)cc1=O ZINC000902193581 591941521 /nfs/dbraw/zinc/94/15/21/591941521.db2.gz CRNXOAWSNCKZRU-HLLBOEOZSA-N 2 1 335.448 1.306 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCC([NH+]2CCOCC2)CC1 ZINC000900214139 591944973 /nfs/dbraw/zinc/94/49/73/591944973.db2.gz AQJCVPFKTWOCGD-HIEASXQVSA-N 2 1 335.492 1.620 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000900227441 591956088 /nfs/dbraw/zinc/95/60/88/591956088.db2.gz QLEILOJFZCKEAL-QZTJIDSGSA-N 2 1 335.492 1.574 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000900272551 591975268 /nfs/dbraw/zinc/97/52/68/591975268.db2.gz RKEPGJJLVLSRFP-HKUYNNGSSA-N 2 1 349.450 1.361 20 0 EDADMP O=S(=O)(CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)N1CCCC1 ZINC000902449977 591999071 /nfs/dbraw/zinc/99/90/71/591999071.db2.gz AYYCTNKLSYVECJ-CVEARBPZSA-N 2 1 329.510 1.170 20 0 EDADMP O=S(=O)(CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)N1CCCC1 ZINC000902449981 591999085 /nfs/dbraw/zinc/99/90/85/591999085.db2.gz AYYCTNKLSYVECJ-JKSUJKDBSA-N 2 1 329.510 1.170 20 0 EDADMP COc1cc2[nH+]c(N3CC[C@H](C[NH3+])[C@H](C)C3)nc(N)c2cc1OC ZINC000900384451 592003003 /nfs/dbraw/zinc/00/30/03/592003003.db2.gz SPRAJBDFVHMKJO-GHMZBOCLSA-N 2 1 331.420 1.650 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000900477328 592028890 /nfs/dbraw/zinc/02/88/90/592028890.db2.gz CFSIWMYJBJKQIH-AUUYWEPGSA-N 2 1 348.491 1.458 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000900518907 592043796 /nfs/dbraw/zinc/04/37/96/592043796.db2.gz UCMDKJRAQYHQHV-PMPSAXMXSA-N 2 1 325.522 1.947 20 0 EDADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000900518907 592043799 /nfs/dbraw/zinc/04/37/99/592043799.db2.gz UCMDKJRAQYHQHV-PMPSAXMXSA-N 2 1 325.522 1.947 20 0 EDADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000900518907 592043801 /nfs/dbraw/zinc/04/38/01/592043801.db2.gz UCMDKJRAQYHQHV-PMPSAXMXSA-N 2 1 325.522 1.947 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)c1 ZINC000900585313 592070341 /nfs/dbraw/zinc/07/03/41/592070341.db2.gz YHWJUYHZDFGCPG-RDJZCZTQSA-N 2 1 344.459 1.756 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000900686097 592094042 /nfs/dbraw/zinc/09/40/42/592094042.db2.gz DSGLQLNHNCWCJR-FUHWJXTLSA-N 2 1 325.497 1.412 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900686097 592094043 /nfs/dbraw/zinc/09/40/43/592094043.db2.gz DSGLQLNHNCWCJR-FUHWJXTLSA-N 2 1 325.497 1.412 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900686097 592094045 /nfs/dbraw/zinc/09/40/45/592094045.db2.gz DSGLQLNHNCWCJR-FUHWJXTLSA-N 2 1 325.497 1.412 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000900725350 592105481 /nfs/dbraw/zinc/10/54/81/592105481.db2.gz KCALDCQPDSDGPL-GOSISDBHSA-N 2 1 338.540 1.593 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000900725350 592105483 /nfs/dbraw/zinc/10/54/83/592105483.db2.gz KCALDCQPDSDGPL-GOSISDBHSA-N 2 1 338.540 1.593 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000900725350 592105486 /nfs/dbraw/zinc/10/54/86/592105486.db2.gz KCALDCQPDSDGPL-GOSISDBHSA-N 2 1 338.540 1.593 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@@H]1CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]31)C2 ZINC000903112778 592122896 /nfs/dbraw/zinc/12/28/96/592122896.db2.gz QKDHBTAGSZOGDD-NPAJJYGASA-N 2 1 334.504 1.869 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)N(CC[NH+]2CCCC2)c2ccccc2)C1 ZINC000900792416 592125349 /nfs/dbraw/zinc/12/53/49/592125349.db2.gz GCJDMCCYNMFHSX-HXUWFJFHSA-N 2 1 345.487 1.962 20 0 EDADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[C@@H]1C ZINC000900846077 592145741 /nfs/dbraw/zinc/14/57/41/592145741.db2.gz PDGUAHYWPHUTCA-LSDHHAIUSA-N 2 1 344.459 1.818 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[C@@H]1C ZINC000900846077 592145744 /nfs/dbraw/zinc/14/57/44/592145744.db2.gz PDGUAHYWPHUTCA-LSDHHAIUSA-N 2 1 344.459 1.818 20 0 EDADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCCN3CCSC[C@H]23)CC1 ZINC000903269792 592149244 /nfs/dbraw/zinc/14/92/44/592149244.db2.gz BORJBRAKOVAITE-RCCFBDPRSA-N 2 1 339.549 1.799 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000903440704 592170119 /nfs/dbraw/zinc/17/01/19/592170119.db2.gz ABBKAEHJVAKPPL-WBVHZDCISA-N 2 1 331.460 1.431 20 0 EDADMP COc1cc(CN2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)cc(OC)c1 ZINC000903444497 592172971 /nfs/dbraw/zinc/17/29/71/592172971.db2.gz AKRDZRPESCIJFB-WBVHZDCISA-N 2 1 333.476 1.677 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903513235 592191672 /nfs/dbraw/zinc/19/16/72/592191672.db2.gz ZDKIFSZQCQJTTE-QRQLOZEOSA-N 2 1 348.535 1.678 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)CC1 ZINC000903588624 592223437 /nfs/dbraw/zinc/22/34/37/592223437.db2.gz MPNXQYQHUXXEPU-LBPRGKRZSA-N 2 1 341.452 1.187 20 0 EDADMP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000904334574 592233293 /nfs/dbraw/zinc/23/32/93/592233293.db2.gz ZQASOUBLLRHSLM-XBXGTLAGSA-N 2 1 343.880 1.384 20 0 EDADMP C[C@]1(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CCC[NH2+]C1 ZINC000904377733 592245469 /nfs/dbraw/zinc/24/54/69/592245469.db2.gz XJWPBKABNOMEQV-AABGKKOBSA-N 2 1 329.488 1.961 20 0 EDADMP C[C@]1(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CCC[NH2+]C1 ZINC000904377733 592245472 /nfs/dbraw/zinc/24/54/72/592245472.db2.gz XJWPBKABNOMEQV-AABGKKOBSA-N 2 1 329.488 1.961 20 0 EDADMP C[C@@]1(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCC[NH2+]C1 ZINC000904378935 592245497 /nfs/dbraw/zinc/24/54/97/592245497.db2.gz MWGFNTZATSUOJN-QFBILLFUSA-N 2 1 346.523 1.388 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906668205 592249845 /nfs/dbraw/zinc/24/98/45/592249845.db2.gz LCRJVTYFKAHCIF-AWEZNQCLSA-N 2 1 346.475 1.762 20 0 EDADMP [NH3+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000906678977 592260104 /nfs/dbraw/zinc/26/01/04/592260104.db2.gz RDMOTKZYWFIIKG-OAHLLOKOSA-N 2 1 344.459 1.322 20 0 EDADMP C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903721924 592282822 /nfs/dbraw/zinc/28/28/22/592282822.db2.gz GEFZORRWHJDZQX-RDJZCZTQSA-N 2 1 337.851 1.979 20 0 EDADMP C[N@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903721924 592282826 /nfs/dbraw/zinc/28/28/26/592282826.db2.gz GEFZORRWHJDZQX-RDJZCZTQSA-N 2 1 337.851 1.979 20 0 EDADMP Cc1ccccc1CN1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903732966 592289460 /nfs/dbraw/zinc/28/94/60/592289460.db2.gz IMTGYOYYFFMJQC-WOJBJXKFSA-N 2 1 329.488 1.881 20 0 EDADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000903753573 592297127 /nfs/dbraw/zinc/29/71/27/592297127.db2.gz WKSMYIHECWNQNR-RLFYNMQTSA-N 2 1 331.464 1.630 20 0 EDADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000903753573 592297128 /nfs/dbraw/zinc/29/71/28/592297128.db2.gz WKSMYIHECWNQNR-RLFYNMQTSA-N 2 1 331.464 1.630 20 0 EDADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000903753573 592297133 /nfs/dbraw/zinc/29/71/33/592297133.db2.gz WKSMYIHECWNQNR-RLFYNMQTSA-N 2 1 331.464 1.630 20 0 EDADMP C[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCN(CCn2cccn2)CC1 ZINC000903740005 592302004 /nfs/dbraw/zinc/30/20/04/592302004.db2.gz BXIJAVGSDFMTKI-MOPGFXCFSA-N 2 1 347.507 1.048 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904644615 592303388 /nfs/dbraw/zinc/30/33/88/592303388.db2.gz QMCNUDTWPHPKIQ-UHFFFAOYSA-N 2 1 333.480 1.683 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)C1 ZINC000903763233 592307481 /nfs/dbraw/zinc/30/74/81/592307481.db2.gz IXAUQAGYAHOXSV-TVFCKZIOSA-N 3 1 337.508 1.363 20 0 EDADMP O=C(NC[C@@H]1CCCN(Cc2ncon2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908118131 592329898 /nfs/dbraw/zinc/32/98/98/592329898.db2.gz JGHDFXZKQIFCBW-ARFHVFGLSA-N 2 1 347.463 1.415 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)C1 ZINC000903813444 592330424 /nfs/dbraw/zinc/33/04/24/592330424.db2.gz GKAIHFRMAMQEMY-CVEARBPZSA-N 2 1 343.537 1.642 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)C1=O ZINC000903813535 592331175 /nfs/dbraw/zinc/33/11/75/592331175.db2.gz GNZJOBAZKCIWIJ-AWEZNQCLSA-N 2 1 336.480 1.690 20 0 EDADMP O=C(CC[N@H+]1CC[NH2+]CCC12CCOCC2)Nc1ccc(F)cc1 ZINC000903813926 592332090 /nfs/dbraw/zinc/33/20/90/592332090.db2.gz CRFYQBCVQTXWMH-UHFFFAOYSA-N 2 1 335.423 1.999 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000901359334 592347031 /nfs/dbraw/zinc/34/70/31/592347031.db2.gz CUMYGDSGGGTYDG-NFBUACBFSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901359334 592347036 /nfs/dbraw/zinc/34/70/36/592347036.db2.gz CUMYGDSGGGTYDG-NFBUACBFSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901359334 592347040 /nfs/dbraw/zinc/34/70/40/592347040.db2.gz CUMYGDSGGGTYDG-NFBUACBFSA-N 2 1 345.487 1.468 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)CCOc2ccccc2F)cnn1C ZINC000903878428 592358986 /nfs/dbraw/zinc/35/89/86/592358986.db2.gz UCOQPFUODCKQDZ-OAHLLOKOSA-N 2 1 334.439 1.996 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cnn1C ZINC000903886041 592364075 /nfs/dbraw/zinc/36/40/75/592364075.db2.gz QUKPHSBVLVCDMT-IRXDYDNUSA-N 2 1 347.507 1.084 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCc3ccccc3[C@H]2CO)cnn1C ZINC000903895595 592367566 /nfs/dbraw/zinc/36/75/66/592367566.db2.gz OQJRKCQKFNEEJV-HNAYVOBHSA-N 2 1 328.460 1.438 20 0 EDADMP Cc1c(C[C@H](C[NH3+])CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cnn1C ZINC000903898375 592369422 /nfs/dbraw/zinc/36/94/22/592369422.db2.gz KKGRHMDMZDOHDY-HLIPFELVSA-N 2 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cnn1C ZINC000903898375 592369428 /nfs/dbraw/zinc/36/94/28/592369428.db2.gz KKGRHMDMZDOHDY-HLIPFELVSA-N 3 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cnn1C ZINC000903898375 592369433 /nfs/dbraw/zinc/36/94/33/592369433.db2.gz KKGRHMDMZDOHDY-HLIPFELVSA-N 3 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnn1C ZINC000903898375 592369439 /nfs/dbraw/zinc/36/94/39/592369439.db2.gz KKGRHMDMZDOHDY-HLIPFELVSA-N 3 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cnn1C ZINC000903898375 592369444 /nfs/dbraw/zinc/36/94/44/592369444.db2.gz KKGRHMDMZDOHDY-HLIPFELVSA-N 3 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cnn1C ZINC000903898375 592369450 /nfs/dbraw/zinc/36/94/50/592369450.db2.gz KKGRHMDMZDOHDY-HLIPFELVSA-N 2 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cnn1C ZINC000903898375 592369456 /nfs/dbraw/zinc/36/94/56/592369456.db2.gz KKGRHMDMZDOHDY-HLIPFELVSA-N 2 1 345.535 1.795 20 0 EDADMP OC[C@]1([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000903902689 592372067 /nfs/dbraw/zinc/37/20/67/592372067.db2.gz MNDOHNJTSQYRKV-CRAIPNDOSA-N 2 1 327.432 1.126 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+]C[C@H](O)C2(O)CCC2)[C@H](c2ccccc2)C1 ZINC000905035053 592373023 /nfs/dbraw/zinc/37/30/23/592373023.db2.gz NTSCDXLZOZORIT-OALUTQOASA-N 2 1 347.503 1.231 20 0 EDADMP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)COc1ccc2cc[nH]c2c1 ZINC000905057926 592395178 /nfs/dbraw/zinc/39/51/78/592395178.db2.gz BOJSEKLUTAYDJE-PBHICJAKSA-N 2 1 329.444 1.982 20 0 EDADMP FC(F)(F)CN1CCC([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903972001 592397605 /nfs/dbraw/zinc/39/76/05/592397605.db2.gz FLRPLGFGBWHHHE-AWEZNQCLSA-N 2 1 335.414 1.761 20 0 EDADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975312 592398597 /nfs/dbraw/zinc/39/85/97/592398597.db2.gz ZPHSAAUGMVTIGM-SJORKVTESA-N 2 1 337.508 1.916 20 0 EDADMP CCCN(CC[NH+]1CCCCCC1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908238676 592400003 /nfs/dbraw/zinc/40/00/03/592400003.db2.gz BMGIXPPNAXSREH-IBGZPJMESA-N 2 1 339.524 1.948 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000908239756 592401043 /nfs/dbraw/zinc/40/10/43/592401043.db2.gz MOCOOMJEAILFFY-UHFFFAOYSA-N 2 1 326.529 1.593 20 0 EDADMP CN(CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)CC[NH+](C)C ZINC000908239756 592401045 /nfs/dbraw/zinc/40/10/45/592401045.db2.gz MOCOOMJEAILFFY-UHFFFAOYSA-N 2 1 326.529 1.593 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)cnn1C ZINC000903986708 592406521 /nfs/dbraw/zinc/40/65/21/592406521.db2.gz PXJQNZNIEQRRBQ-KYJSFNMBSA-N 2 1 349.479 1.056 20 0 EDADMP O[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)C[C@H](O)c1ccccc1 ZINC000905093885 592418898 /nfs/dbraw/zinc/41/88/98/592418898.db2.gz NJWWTQNFOPLCDW-MOPGFXCFSA-N 2 1 348.487 1.706 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1(C)C ZINC000905245401 592475470 /nfs/dbraw/zinc/47/54/70/592475470.db2.gz DAGYVOOCUCGONP-RBUKOAKNSA-N 2 1 349.519 1.477 20 0 EDADMP C/C(=C\C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)CN1CCOCC1 ZINC000908357670 592476586 /nfs/dbraw/zinc/47/65/86/592476586.db2.gz HXBJEXFWHWWGHU-MOKGIYGOSA-N 2 1 335.492 1.598 20 0 EDADMP C[C@](O)(C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C(F)F ZINC000905365988 592516742 /nfs/dbraw/zinc/51/67/42/592516742.db2.gz DWTTZTXCHNMWJV-RDJZCZTQSA-N 2 1 328.403 1.749 20 0 EDADMP C[N@@H+](C[C@@H](O)CNc1ccc(N2CC[NH+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000905437758 592534319 /nfs/dbraw/zinc/53/43/19/592534319.db2.gz HTQHCPGWIBRWJG-PMACEKPBSA-N 2 1 344.503 1.838 20 0 EDADMP C[NH+](C[C@@H](O)CNc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000905437758 592534322 /nfs/dbraw/zinc/53/43/22/592534322.db2.gz HTQHCPGWIBRWJG-PMACEKPBSA-N 2 1 344.503 1.838 20 0 EDADMP C[NH+](C[C@@H](O)CNc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000905437758 592534326 /nfs/dbraw/zinc/53/43/26/592534326.db2.gz HTQHCPGWIBRWJG-PMACEKPBSA-N 2 1 344.503 1.838 20 0 EDADMP C[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000907285855 592584724 /nfs/dbraw/zinc/58/47/24/592584724.db2.gz OUGICXJNDSAHFZ-CVEARBPZSA-N 2 1 347.507 1.828 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COc2ccc3c(c2)C[NH2+]C3)C1 ZINC000905614710 592594962 /nfs/dbraw/zinc/59/49/62/592594962.db2.gz MYZKPXJXGQCIIJ-SFHVURJKSA-N 2 1 347.459 1.142 20 0 EDADMP COc1ncc(Cl)c(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000905700024 592613902 /nfs/dbraw/zinc/61/39/02/592613902.db2.gz HWLADLUBHKRTOQ-BETUJISGSA-N 2 1 337.855 1.544 20 0 EDADMP COc1ncc(Cl)c(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000905700024 592613904 /nfs/dbraw/zinc/61/39/04/592613904.db2.gz HWLADLUBHKRTOQ-BETUJISGSA-N 2 1 337.855 1.544 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(c1cc(NCC3CC3)[nH+]cn1)C2 ZINC000905692898 592623752 /nfs/dbraw/zinc/62/37/52/592623752.db2.gz JPIMYLYXOGXDRB-AHIWAGSCSA-N 2 1 331.420 1.015 20 0 EDADMP Cc1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)C3(O)CCCC3)C2)nc(C)[nH+]1 ZINC000905931765 592687710 /nfs/dbraw/zinc/68/77/10/592687710.db2.gz MCEITWZNGVTAJB-HZPDHXFCSA-N 2 1 334.464 1.318 20 0 EDADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[NH+](C)C ZINC000907634763 592735326 /nfs/dbraw/zinc/73/53/26/592735326.db2.gz JLNNNLXTACFFBI-HIRMHNASSA-N 2 1 333.476 1.558 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906223687 592761804 /nfs/dbraw/zinc/76/18/04/592761804.db2.gz VIGPNHCTBDRXBA-SJORKVTESA-N 2 1 345.491 1.437 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000907862454 592819231 /nfs/dbraw/zinc/81/92/31/592819231.db2.gz VSRHIDZVXGUWDX-GOSISDBHSA-N 2 1 344.503 1.118 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000907862454 592819232 /nfs/dbraw/zinc/81/92/32/592819232.db2.gz VSRHIDZVXGUWDX-GOSISDBHSA-N 2 1 344.503 1.118 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000907862454 592819233 /nfs/dbraw/zinc/81/92/33/592819233.db2.gz VSRHIDZVXGUWDX-GOSISDBHSA-N 2 1 344.503 1.118 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](CCO)C(C)C)CC1 ZINC000910861435 592897700 /nfs/dbraw/zinc/89/77/00/592897700.db2.gz QZGHESAQEUFOLD-GOSISDBHSA-N 2 1 339.524 1.802 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@H+](CCO)C(C)C)CC1 ZINC000910861435 592897701 /nfs/dbraw/zinc/89/77/01/592897701.db2.gz QZGHESAQEUFOLD-GOSISDBHSA-N 2 1 339.524 1.802 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1 ZINC000910861435 592897702 /nfs/dbraw/zinc/89/77/02/592897702.db2.gz QZGHESAQEUFOLD-GOSISDBHSA-N 2 1 339.524 1.802 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000911535122 592936449 /nfs/dbraw/zinc/93/64/49/592936449.db2.gz UKOYBHZRMDTETL-IXDOHACOSA-N 2 1 325.497 1.676 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000911535122 592936452 /nfs/dbraw/zinc/93/64/52/592936452.db2.gz UKOYBHZRMDTETL-IXDOHACOSA-N 2 1 325.497 1.676 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000911535122 592936454 /nfs/dbraw/zinc/93/64/54/592936454.db2.gz UKOYBHZRMDTETL-IXDOHACOSA-N 2 1 325.497 1.676 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C1 ZINC000911535122 592936456 /nfs/dbraw/zinc/93/64/56/592936456.db2.gz UKOYBHZRMDTETL-IXDOHACOSA-N 2 1 325.497 1.676 20 0 EDADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000911629654 592969175 /nfs/dbraw/zinc/96/91/75/592969175.db2.gz YSOSEOSHDZMWGL-ZDUSSCGKSA-N 2 1 342.237 1.326 20 0 EDADMP C[NH2+]CCCNC(=O)[C@H]([NH3+])c1ccccc1I ZINC000911677989 592980157 /nfs/dbraw/zinc/98/01/57/592980157.db2.gz XCAOIUVQSYAGKT-LLVKDONJSA-N 2 1 347.200 1.017 20 0 EDADMP C[NH2+]CCCNC(=O)[C@H]([NH3+])c1cc(Br)ccc1OC ZINC000911677996 592980232 /nfs/dbraw/zinc/98/02/32/592980232.db2.gz XJADVJGQWWCWEH-GFCCVEGCSA-N 2 1 330.226 1.183 20 0 EDADMP CN(C)[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)c1ccc(Cl)cc1 ZINC000912600560 593106259 /nfs/dbraw/zinc/10/62/59/593106259.db2.gz XGOFFWSOAKKERM-OAHLLOKOSA-N 2 1 327.856 1.325 20 0 EDADMP CN(CC[N@@H+](C)CCO)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000912600560 593106261 /nfs/dbraw/zinc/10/62/61/593106261.db2.gz XGOFFWSOAKKERM-OAHLLOKOSA-N 2 1 327.856 1.325 20 0 EDADMP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000912591411 593106945 /nfs/dbraw/zinc/10/69/45/593106945.db2.gz NWAHCAHITBBWNW-IXDOHACOSA-N 2 1 339.524 1.847 20 0 EDADMP CC1(C)C(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)[C@H]1C1CC1 ZINC000811733759 593477448 /nfs/dbraw/zinc/47/74/48/593477448.db2.gz BTLNLKAQBPKRTR-KRWDZBQOSA-N 2 1 335.492 1.635 20 0 EDADMP Cn1ncc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1Cl ZINC000816610670 593534672 /nfs/dbraw/zinc/53/46/72/593534672.db2.gz TWXDPILLMZHMNC-UHFFFAOYSA-N 2 1 325.888 1.533 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000818945899 593729480 /nfs/dbraw/zinc/72/94/80/593729480.db2.gz SWJRYVNDNZNKQY-OAHLLOKOSA-N 2 1 327.469 1.479 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000819003270 593733304 /nfs/dbraw/zinc/73/33/04/593733304.db2.gz CYOKSTKPKZNLLF-BLLLJJGKSA-N 2 1 341.402 1.175 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000819003270 593733305 /nfs/dbraw/zinc/73/33/05/593733305.db2.gz CYOKSTKPKZNLLF-BLLLJJGKSA-N 2 1 341.402 1.175 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[NH+]1CCCC1 ZINC000820234278 593801153 /nfs/dbraw/zinc/80/11/53/593801153.db2.gz ZUTGSMIZUMYSQC-KRWDZBQOSA-N 2 1 330.476 1.409 20 0 EDADMP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000822704124 594088347 /nfs/dbraw/zinc/08/83/47/594088347.db2.gz BMIDDORCKRKHBQ-QGZVFWFLSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000822704124 594088350 /nfs/dbraw/zinc/08/83/50/594088350.db2.gz BMIDDORCKRKHBQ-QGZVFWFLSA-N 2 1 345.487 1.830 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NC[C@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC000825867684 594265452 /nfs/dbraw/zinc/26/54/52/594265452.db2.gz HNAYDCUCBKXWGC-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)NC(=O)OC(C)(C)C ZINC000830651977 594447791 /nfs/dbraw/zinc/44/77/91/594447791.db2.gz KKSQGMDKYSRVFX-CQSZACIVSA-N 2 1 327.469 1.696 20 0 EDADMP C[C@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)NC(=O)OC(C)(C)C ZINC000830651977 594447793 /nfs/dbraw/zinc/44/77/93/594447793.db2.gz KKSQGMDKYSRVFX-CQSZACIVSA-N 2 1 327.469 1.696 20 0 EDADMP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000826513500 594512024 /nfs/dbraw/zinc/51/20/24/594512024.db2.gz NEJGIQQKTVHLHR-HNNXBMFYSA-N 2 1 342.447 1.457 20 0 EDADMP C[C@@]1(CNC(=O)N[C@@]2(C)CC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000831078245 594550228 /nfs/dbraw/zinc/55/02/28/594550228.db2.gz DCXZLYXXDPUOIP-OALUTQOASA-N 2 1 330.476 1.950 20 0 EDADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@]1(F)CC[NH2+]C1 ZINC000829225061 594584271 /nfs/dbraw/zinc/58/42/71/594584271.db2.gz BKIUSBNCILDRSF-PHSGOXPASA-N 2 1 331.435 2.000 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831233056 594587402 /nfs/dbraw/zinc/58/74/02/594587402.db2.gz YUBZPSNYERHNGB-YMAMQOFZSA-N 2 1 327.469 1.431 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831233056 594587403 /nfs/dbraw/zinc/58/74/03/594587403.db2.gz YUBZPSNYERHNGB-YMAMQOFZSA-N 2 1 327.469 1.431 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000827311014 594660317 /nfs/dbraw/zinc/66/03/17/594660317.db2.gz NSJYPKFDYHUBGH-OKZBNKHCSA-N 2 1 337.508 1.676 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000827311014 594660318 /nfs/dbraw/zinc/66/03/18/594660318.db2.gz NSJYPKFDYHUBGH-OKZBNKHCSA-N 2 1 337.508 1.676 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(OCC[NH3+])c3)CC[C@@H]21 ZINC000841284352 594881280 /nfs/dbraw/zinc/88/12/80/594881280.db2.gz GRYRGMYHKSBEKW-YOEHRIQHSA-N 2 1 332.448 1.972 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000841327205 594885455 /nfs/dbraw/zinc/88/54/55/594885455.db2.gz FBDWZYXCRFTKPG-CVEARBPZSA-N 2 1 346.431 1.153 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000841648380 594931056 /nfs/dbraw/zinc/93/10/56/594931056.db2.gz GKXHVCNHKZKXRH-MRXNPFEDSA-N 2 1 338.496 1.128 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841676297 594934451 /nfs/dbraw/zinc/93/44/51/594934451.db2.gz NVDCICFKJNXFLL-UHFFFAOYSA-N 2 1 347.507 1.013 20 0 EDADMP CN(C(=O)NCC[N@H+]1CCc2ccccc2C1)C1CCC([NH3+])CC1 ZINC000841694468 594938872 /nfs/dbraw/zinc/93/88/72/594938872.db2.gz XVTXSSFOGMVLJN-UHFFFAOYSA-N 2 1 330.476 1.956 20 0 EDADMP C[N@@H+](CC(=O)NCCc1c(F)cccc1F)C1CCC([NH3+])CC1 ZINC000843355455 595085197 /nfs/dbraw/zinc/08/51/97/595085197.db2.gz PZRANSYVNHDXJC-UHFFFAOYSA-N 2 1 325.403 1.825 20 0 EDADMP CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cc(=O)oc2c1 ZINC000843364407 595088442 /nfs/dbraw/zinc/08/84/42/595088442.db2.gz IAOYPFNOCBLAKI-DGCLKSJQSA-N 2 1 329.400 1.921 20 0 EDADMP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843368471 595089940 /nfs/dbraw/zinc/08/99/40/595089940.db2.gz UAXUJJPJWYDEFJ-XWUBHJNHSA-N 2 1 343.431 1.655 20 0 EDADMP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843368471 595089944 /nfs/dbraw/zinc/08/99/44/595089944.db2.gz UAXUJJPJWYDEFJ-XWUBHJNHSA-N 2 1 343.431 1.655 20 0 EDADMP C[C@H](CCNC(=O)CO[C@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000844189440 595297490 /nfs/dbraw/zinc/29/74/90/595297490.db2.gz MILJLQIZNJXJGC-AEFFLSMTSA-N 2 1 333.476 1.782 20 0 EDADMP C[NH+](C)CCOc1cc(-c2noc(-c3csc(C[NH3+])n3)n2)ccn1 ZINC000843191324 595301759 /nfs/dbraw/zinc/30/17/59/595301759.db2.gz DKKHAGQSXDTWFU-UHFFFAOYSA-N 2 1 346.416 1.654 20 0 EDADMP CCN(c1ccc(NC(=O)C[NH+]2CCC(O)(C[NH3+])CC2)cc1)C(C)C ZINC000844225023 595308579 /nfs/dbraw/zinc/30/85/79/595308579.db2.gz VKVQDWVNSPPEBF-UHFFFAOYSA-N 2 1 348.491 1.645 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)[C@H](C)C1 ZINC000844316576 595322847 /nfs/dbraw/zinc/32/28/47/595322847.db2.gz HICIDIJNCDPWOZ-OIISXLGYSA-N 2 1 339.480 1.696 20 0 EDADMP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000847311830 595393699 /nfs/dbraw/zinc/39/36/99/595393699.db2.gz ISTXIUAWCJMKHR-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP COC(=O)/C=C/c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000848908694 595465552 /nfs/dbraw/zinc/46/55/52/595465552.db2.gz BENRLSYJFRZWSW-BQYQJAHWSA-N 2 1 335.448 1.581 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)Nc1ccc(F)c(F)c1 ZINC000849069555 595477501 /nfs/dbraw/zinc/47/75/01/595477501.db2.gz LKINFWZILUVCLP-GFCCVEGCSA-N 2 1 339.390 1.502 20 0 EDADMP CCOCCONC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000847754282 595478891 /nfs/dbraw/zinc/47/88/91/595478891.db2.gz RBFIFQSIZOGFKF-UHFFFAOYSA-N 2 1 327.469 1.267 20 0 EDADMP CCOC(=O)[C@@]1(F)C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC12CCC2 ZINC000852754193 595526802 /nfs/dbraw/zinc/52/68/02/595526802.db2.gz BTMJHBBMBBJFBU-GUYCJALGSA-N 2 1 326.412 1.265 20 0 EDADMP CCOC(=O)[C@@]1(F)C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC12CCC2 ZINC000852754193 595526803 /nfs/dbraw/zinc/52/68/03/595526803.db2.gz BTMJHBBMBBJFBU-GUYCJALGSA-N 2 1 326.412 1.265 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000109372572 595529889 /nfs/dbraw/zinc/52/98/89/595529889.db2.gz WLXPEBITRKLIDR-INIZCTEOSA-N 2 1 345.491 1.013 20 0 EDADMP CC[N@@H+](CC(=O)N1CCO[C@H](C)C1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859995194 595537017 /nfs/dbraw/zinc/53/70/17/595537017.db2.gz DRYRRDBVDUVVOS-MRXNPFEDSA-N 2 1 333.476 1.817 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NC2CC[NH+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849489037 595549639 /nfs/dbraw/zinc/54/96/39/595549639.db2.gz QPTYNXLJVMQPDK-ZWKOTPCHSA-N 2 1 347.507 1.444 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849497495 595552057 /nfs/dbraw/zinc/55/20/57/595552057.db2.gz GBVAVQVALPXLDG-NJAFHUGGSA-N 2 1 347.507 1.446 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC[NH+]2CCCCC2)cn1 ZINC000849501590 595553206 /nfs/dbraw/zinc/55/32/06/595553206.db2.gz WXHNAFRVJSHIBM-IAGOWNOFSA-N 2 1 333.480 1.058 20 0 EDADMP O=C(C=C1CC[NH2+]CC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000852863969 595584755 /nfs/dbraw/zinc/58/47/55/595584755.db2.gz VAAPQEZNIAVUOR-LJQANCHMSA-N 2 1 327.472 1.977 20 0 EDADMP O[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccn1 ZINC000853103673 595665556 /nfs/dbraw/zinc/66/55/56/595665556.db2.gz CRPXVESMIRMXDR-IEBWSBKVSA-N 2 1 327.428 1.471 20 0 EDADMP COc1ccc(/C=C\C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1O ZINC000855346268 595680110 /nfs/dbraw/zinc/68/01/10/595680110.db2.gz UXERNWIBZJVKHE-WWRUEGTHSA-N 2 1 349.475 1.802 20 0 EDADMP COc1ccc(/C=C\C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1O ZINC000855346268 595680113 /nfs/dbraw/zinc/68/01/13/595680113.db2.gz UXERNWIBZJVKHE-WWRUEGTHSA-N 2 1 349.475 1.802 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000858525903 595818687 /nfs/dbraw/zinc/81/86/87/595818687.db2.gz NVYOQAZOAGMPLM-PMPSAXMXSA-N 2 1 341.496 1.942 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC1([NH3+])CCCC1 ZINC000851654457 595869653 /nfs/dbraw/zinc/86/96/53/595869653.db2.gz CKMJUWNCYCYAKD-UHFFFAOYSA-N 2 1 328.420 1.646 20 0 EDADMP CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000861351857 595957814 /nfs/dbraw/zinc/95/78/14/595957814.db2.gz FUOUHPCHUKOJFN-DOTOQJQBSA-N 2 1 330.388 1.533 20 0 EDADMP CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000861351857 595957818 /nfs/dbraw/zinc/95/78/18/595957818.db2.gz FUOUHPCHUKOJFN-DOTOQJQBSA-N 2 1 330.388 1.533 20 0 EDADMP O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CC(F)(F)F ZINC000854222397 596006542 /nfs/dbraw/zinc/00/65/42/596006542.db2.gz FDKUMWLKXPNFLE-TUAOUCFPSA-N 2 1 328.400 1.474 20 0 EDADMP COCC[NH+](CCOC)C1CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1 ZINC000852043969 596020346 /nfs/dbraw/zinc/02/03/46/596020346.db2.gz LJLPOMAHLDHOCZ-QGZVFWFLSA-N 2 1 344.496 1.587 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3cn[nH]c3)C2)ccn1 ZINC000856584191 596020645 /nfs/dbraw/zinc/02/06/45/596020645.db2.gz DTJTZRAGONDWHS-GOSISDBHSA-N 2 1 329.448 1.952 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3cn[nH]c3)C2)ccn1 ZINC000856584191 596020649 /nfs/dbraw/zinc/02/06/49/596020649.db2.gz DTJTZRAGONDWHS-GOSISDBHSA-N 2 1 329.448 1.952 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3cn[nH]c3)C2)ccn1 ZINC000856584191 596020653 /nfs/dbraw/zinc/02/06/53/596020653.db2.gz DTJTZRAGONDWHS-GOSISDBHSA-N 2 1 329.448 1.952 20 0 EDADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856590560 596025297 /nfs/dbraw/zinc/02/52/97/596025297.db2.gz WNBMFSVVKFIWTE-GOSISDBHSA-N 2 1 348.491 1.855 20 0 EDADMP CCN(C)C(=O)CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856590560 596025300 /nfs/dbraw/zinc/02/53/00/596025300.db2.gz WNBMFSVVKFIWTE-GOSISDBHSA-N 2 1 348.491 1.855 20 0 EDADMP CCN(C)C(=O)CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856590560 596025305 /nfs/dbraw/zinc/02/53/05/596025305.db2.gz WNBMFSVVKFIWTE-GOSISDBHSA-N 2 1 348.491 1.855 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NC(C)(C)C)C2)ccn1 ZINC000856592395 596026490 /nfs/dbraw/zinc/02/64/90/596026490.db2.gz HFUYWARYLWLZBW-KRWDZBQOSA-N 2 1 348.491 1.901 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NC(C)(C)C)C2)ccn1 ZINC000856592395 596026492 /nfs/dbraw/zinc/02/64/92/596026492.db2.gz HFUYWARYLWLZBW-KRWDZBQOSA-N 2 1 348.491 1.901 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(=O)NC(C)(C)C)C2)ccn1 ZINC000856592395 596026494 /nfs/dbraw/zinc/02/64/94/596026494.db2.gz HFUYWARYLWLZBW-KRWDZBQOSA-N 2 1 348.491 1.901 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)C2)ccn1 ZINC000856592395 596026496 /nfs/dbraw/zinc/02/64/96/596026496.db2.gz HFUYWARYLWLZBW-KRWDZBQOSA-N 2 1 348.491 1.901 20 0 EDADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598826 596029776 /nfs/dbraw/zinc/02/97/76/596029776.db2.gz CHRGODWXCFWLGT-SJORKVTESA-N 2 1 334.464 1.639 20 0 EDADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598826 596029779 /nfs/dbraw/zinc/02/97/79/596029779.db2.gz CHRGODWXCFWLGT-SJORKVTESA-N 2 1 334.464 1.639 20 0 EDADMP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856598826 596029782 /nfs/dbraw/zinc/02/97/82/596029782.db2.gz CHRGODWXCFWLGT-SJORKVTESA-N 2 1 334.464 1.639 20 0 EDADMP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856598826 596029784 /nfs/dbraw/zinc/02/97/84/596029784.db2.gz CHRGODWXCFWLGT-SJORKVTESA-N 2 1 334.464 1.639 20 0 EDADMP C[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000861590649 596038959 /nfs/dbraw/zinc/03/89/59/596038959.db2.gz AXDUVBKAKXAORR-ZMSDIMECSA-N 2 1 334.464 1.265 20 0 EDADMP C[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000861590649 596038962 /nfs/dbraw/zinc/03/89/62/596038962.db2.gz AXDUVBKAKXAORR-ZMSDIMECSA-N 2 1 334.464 1.265 20 0 EDADMP [NH3+][C@H]1CC[C@H](C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000870876578 596386813 /nfs/dbraw/zinc/38/68/13/596386813.db2.gz SKNGWFXMZIOHSK-QAQDUYKDSA-N 2 1 345.491 1.227 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870893298 596393426 /nfs/dbraw/zinc/39/34/26/596393426.db2.gz MFEATWBYPCTCEA-UHFFFAOYSA-N 2 1 340.493 1.308 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC000869236806 596456251 /nfs/dbraw/zinc/45/62/51/596456251.db2.gz JQJQDPCOWNWLGA-NSHDSACASA-N 2 1 341.887 1.942 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC000869236806 596456252 /nfs/dbraw/zinc/45/62/52/596456252.db2.gz JQJQDPCOWNWLGA-NSHDSACASA-N 2 1 341.887 1.942 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccnc(N4CCCC4)c3)CC[C@@H]21 ZINC000868023142 596658948 /nfs/dbraw/zinc/65/89/48/596658948.db2.gz CMXBEJYEEAMBDC-IRXDYDNUSA-N 2 1 343.475 1.917 20 0 EDADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCC[NH+]3CC[C@@H](O)C3)c2)C1 ZINC000863940421 596721802 /nfs/dbraw/zinc/72/18/02/596721802.db2.gz DQBOZBIUOOJEQP-QZTJIDSGSA-N 2 1 331.460 1.292 20 0 EDADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)c2)C1 ZINC000863940421 596721807 /nfs/dbraw/zinc/72/18/07/596721807.db2.gz DQBOZBIUOOJEQP-QZTJIDSGSA-N 2 1 331.460 1.292 20 0 EDADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NCC[N@H+]3CC[C@@H](O)C3)c2)C1 ZINC000863940421 596721810 /nfs/dbraw/zinc/72/18/10/596721810.db2.gz DQBOZBIUOOJEQP-QZTJIDSGSA-N 2 1 331.460 1.292 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868228187 596735473 /nfs/dbraw/zinc/73/54/73/596735473.db2.gz BJMRTMWMZPXVSJ-IXDOHACOSA-N 2 1 344.459 1.430 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000868283498 596763658 /nfs/dbraw/zinc/76/36/58/596763658.db2.gz ZCGGDCKGBCVNII-SJLPKXTDSA-N 2 1 328.460 1.957 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000868283498 596763660 /nfs/dbraw/zinc/76/36/60/596763660.db2.gz ZCGGDCKGBCVNII-SJLPKXTDSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000868283498 596763662 /nfs/dbraw/zinc/76/36/62/596763662.db2.gz ZCGGDCKGBCVNII-SJLPKXTDSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000868283498 596763663 /nfs/dbraw/zinc/76/36/63/596763663.db2.gz ZCGGDCKGBCVNII-SJLPKXTDSA-N 2 1 328.460 1.957 20 0 EDADMP CC(C)(C)S(=O)(=O)CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000872144047 596809068 /nfs/dbraw/zinc/80/90/68/596809068.db2.gz ARTXJTPCGHBZPH-OAGGEKHMSA-N 2 1 346.537 1.951 20 0 EDADMP COC(=O)C1=CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000872215827 596839049 /nfs/dbraw/zinc/83/90/49/596839049.db2.gz IHUCQCSETAPJBY-HKUYNNGSSA-N 2 1 330.428 1.475 20 0 EDADMP COC(=O)C1=CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000872215827 596839053 /nfs/dbraw/zinc/83/90/53/596839053.db2.gz IHUCQCSETAPJBY-HKUYNNGSSA-N 2 1 330.428 1.475 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(F)c1 ZINC000872256913 596857474 /nfs/dbraw/zinc/85/74/74/596857474.db2.gz FQBXODQYEVVXOX-WQVCFCJDSA-N 2 1 335.379 1.201 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(F)c1 ZINC000872256913 596857476 /nfs/dbraw/zinc/85/74/76/596857476.db2.gz FQBXODQYEVVXOX-WQVCFCJDSA-N 2 1 335.379 1.201 20 0 EDADMP Cc1cccc2ncc(C[N@@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)n21 ZINC000872256816 596857522 /nfs/dbraw/zinc/85/75/22/596857522.db2.gz ZQNRLOMQYFAKOG-IMJJTQAJSA-N 2 1 341.415 1.010 20 0 EDADMP Cc1cccc2ncc(C[N@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)n21 ZINC000872256816 596857524 /nfs/dbraw/zinc/85/75/24/596857524.db2.gz ZQNRLOMQYFAKOG-IMJJTQAJSA-N 2 1 341.415 1.010 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000872286576 596868270 /nfs/dbraw/zinc/86/82/70/596868270.db2.gz LLGFBYBXWZKIJB-FRQCXROJSA-N 2 1 328.460 1.052 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872294577 596871897 /nfs/dbraw/zinc/87/18/97/596871897.db2.gz RTUFNSNOUJJPMC-CVEARBPZSA-N 2 1 325.497 1.711 20 0 EDADMP C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCC1(C)C ZINC000875747015 596971180 /nfs/dbraw/zinc/97/11/80/596971180.db2.gz GILDJBMLIKCHQH-INIZCTEOSA-N 2 1 338.496 1.365 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cn1 ZINC000873017044 597161581 /nfs/dbraw/zinc/16/15/81/597161581.db2.gz UNZBYQGLRIJWFQ-HNNXBMFYSA-N 2 1 334.445 1.633 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@]3(CCc4ccccc43)C2)C1 ZINC000873226974 597233995 /nfs/dbraw/zinc/23/39/95/597233995.db2.gz FIVJRIONEOWQRQ-OXQOHEQNSA-N 2 1 327.472 1.774 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000876727504 597308232 /nfs/dbraw/zinc/30/82/32/597308232.db2.gz MJBSLTGWDWVFDE-ZBFHGGJFSA-N 2 1 331.464 1.330 20 0 EDADMP CCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876729484 597309624 /nfs/dbraw/zinc/30/96/24/597309624.db2.gz OLYRUNQBJWVMNO-MOPGFXCFSA-N 2 1 346.519 1.779 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876747214 597319660 /nfs/dbraw/zinc/31/96/60/597319660.db2.gz YBYADRUJGXQIJT-TWMKSMIVSA-N 2 1 336.524 1.377 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)[C@H](C)C1 ZINC000876763286 597328346 /nfs/dbraw/zinc/32/83/46/597328346.db2.gz FEQJIPDDNLTIEB-MTNOOBJLSA-N 2 1 337.508 1.772 20 0 EDADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000876961788 597397933 /nfs/dbraw/zinc/39/79/33/597397933.db2.gz XDFMHTQKMJRVNN-LQSBMHKMSA-N 2 1 343.471 1.281 20 0 EDADMP C[NH2+]CCOCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000877023776 597414708 /nfs/dbraw/zinc/41/47/08/597414708.db2.gz FCAWISJPOYCHFO-GOSISDBHSA-N 2 1 345.487 1.641 20 0 EDADMP CO[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCOCC1 ZINC000877030483 597416910 /nfs/dbraw/zinc/41/69/10/597416910.db2.gz CUCNHVRYCGDXIQ-ZWKOTPCHSA-N 2 1 326.481 1.661 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000875428460 597424582 /nfs/dbraw/zinc/42/45/82/597424582.db2.gz IYJVOFGLVNWVJI-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877133465 597439798 /nfs/dbraw/zinc/43/97/98/597439798.db2.gz BUKZOBYSAOMMSX-BGTYHANMSA-N 2 1 333.451 1.818 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000877229389 597469197 /nfs/dbraw/zinc/46/91/97/597469197.db2.gz LQQLLQLJKCOTBV-WMZOPIPTSA-N 2 1 333.476 1.700 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000877229389 597469198 /nfs/dbraw/zinc/46/91/98/597469198.db2.gz LQQLLQLJKCOTBV-WMZOPIPTSA-N 2 1 333.476 1.700 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000877391704 597508303 /nfs/dbraw/zinc/50/83/03/597508303.db2.gz XGJHGBWSQXRHLN-QAPCUYQASA-N 2 1 331.464 1.033 20 0 EDADMP NS(=O)(=O)c1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000877643841 597543772 /nfs/dbraw/zinc/54/37/72/597543772.db2.gz OAMCGGONFSVFDB-INIZCTEOSA-N 2 1 337.489 1.546 20 0 EDADMP NS(=O)(=O)c1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000877643841 597543773 /nfs/dbraw/zinc/54/37/73/597543773.db2.gz OAMCGGONFSVFDB-INIZCTEOSA-N 2 1 337.489 1.546 20 0 EDADMP COC(=O)c1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000877747536 597552844 /nfs/dbraw/zinc/55/28/44/597552844.db2.gz PUXALQJKCZBDKE-UHFFFAOYSA-N 2 1 331.460 1.685 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCCS(=O)(=O)C(C)(C)C ZINC000878315020 597594731 /nfs/dbraw/zinc/59/47/31/597594731.db2.gz DEDQGULATCSMKS-UHFFFAOYSA-N 2 1 333.542 1.159 20 0 EDADMP CC1(C)CC[C@@H](C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)OC1 ZINC000878338338 597596736 /nfs/dbraw/zinc/59/67/36/597596736.db2.gz PWIHKDZJFOMNMQ-INIZCTEOSA-N 2 1 326.481 1.351 20 0 EDADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000130780224 597624908 /nfs/dbraw/zinc/62/49/08/597624908.db2.gz XUZJWKRPYKYILR-CABCVRRESA-N 2 1 336.480 1.861 20 0 EDADMP C[N@@H+]1CC[C@H]2C[NH+](CCOCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879579986 597641649 /nfs/dbraw/zinc/64/16/49/597641649.db2.gz CRDUDSXOXTVMOS-LSDHHAIUSA-N 2 1 327.469 1.554 20 0 EDADMP C[N@H+]1CC[C@H]2C[NH+](CCOCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879579986 597641651 /nfs/dbraw/zinc/64/16/51/597641651.db2.gz CRDUDSXOXTVMOS-LSDHHAIUSA-N 2 1 327.469 1.554 20 0 EDADMP C[NH+]1CC[C@H]2C[N@H+](CCOCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879579986 597641653 /nfs/dbraw/zinc/64/16/53/597641653.db2.gz CRDUDSXOXTVMOS-LSDHHAIUSA-N 2 1 327.469 1.554 20 0 EDADMP C[NH+]1CC[C@H]2C[N@@H+](CCOCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879579986 597641655 /nfs/dbraw/zinc/64/16/55/597641655.db2.gz CRDUDSXOXTVMOS-LSDHHAIUSA-N 2 1 327.469 1.554 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000883142451 597665195 /nfs/dbraw/zinc/66/51/95/597665195.db2.gz JEOMJJTYKOOOKG-QAPCUYQASA-N 2 1 330.476 1.827 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000883142451 597665198 /nfs/dbraw/zinc/66/51/98/597665198.db2.gz JEOMJJTYKOOOKG-QAPCUYQASA-N 2 1 330.476 1.827 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000883142451 597665200 /nfs/dbraw/zinc/66/52/00/597665200.db2.gz JEOMJJTYKOOOKG-QAPCUYQASA-N 2 1 330.476 1.827 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000883142444 597665696 /nfs/dbraw/zinc/66/56/96/597665696.db2.gz JCYJRCOENNBQFU-HNNXBMFYSA-N 2 1 340.537 1.741 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000878864885 597738107 /nfs/dbraw/zinc/73/81/07/597738107.db2.gz BXMDIHIUYZZMPA-WMZOPIPTSA-N 2 1 326.481 1.351 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000878864885 597738109 /nfs/dbraw/zinc/73/81/09/597738109.db2.gz BXMDIHIUYZZMPA-WMZOPIPTSA-N 2 1 326.481 1.351 20 0 EDADMP Brc1ccccc1CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000883428118 597743617 /nfs/dbraw/zinc/74/36/17/597743617.db2.gz MDMSGXSQQSWINZ-OAHLLOKOSA-N 2 1 338.293 1.971 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C(C)(C)O)C1)c1ccccc1 ZINC000880147958 597857561 /nfs/dbraw/zinc/85/75/61/597857561.db2.gz MQXJCXRAZZMMSX-SJORKVTESA-N 2 1 333.476 1.498 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)CC1 ZINC000880492614 597945802 /nfs/dbraw/zinc/94/58/02/597945802.db2.gz UDDAZZGCQWVJRD-IAGOWNOFSA-N 2 1 337.508 1.722 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cncc(OC)c1 ZINC000880557396 597962682 /nfs/dbraw/zinc/96/26/82/597962682.db2.gz RLQVFHNMPUATIZ-MRXNPFEDSA-N 2 1 349.479 1.970 20 0 EDADMP COc1ccc(C[N@@H+](CCO)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000880572411 597967720 /nfs/dbraw/zinc/96/77/20/597967720.db2.gz QJOXXEREKSXELM-UHFFFAOYSA-N 2 1 349.519 1.906 20 0 EDADMP C[C@@H](C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2)[NH+](C)C ZINC000882592212 598000224 /nfs/dbraw/zinc/00/02/24/598000224.db2.gz ACXXDKLFILHMCC-FUHIMQAGSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H](C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2)[NH+](C)C ZINC000882592212 598000225 /nfs/dbraw/zinc/00/02/25/598000225.db2.gz ACXXDKLFILHMCC-FUHIMQAGSA-N 2 1 345.487 1.829 20 0 EDADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ncoc1C[NH3+] ZINC000884187455 598019362 /nfs/dbraw/zinc/01/93/62/598019362.db2.gz FTWURYGCICJERC-UHFFFAOYSA-N 2 1 346.431 1.784 20 0 EDADMP C[C@@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000884188341 598019670 /nfs/dbraw/zinc/01/96/70/598019670.db2.gz FPFLHUSILKGDOX-HOTGVXAUSA-N 2 1 345.491 1.341 20 0 EDADMP C[N@@H+](CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)C1CCCCC1 ZINC000884190197 598020537 /nfs/dbraw/zinc/02/05/37/598020537.db2.gz XXPWSKOFCIISKN-UHFFFAOYSA-N 2 1 345.491 1.486 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000884316423 598063350 /nfs/dbraw/zinc/06/33/50/598063350.db2.gz RYDBUIQNQYZXAQ-AEFFLSMTSA-N 2 1 331.460 1.841 20 0 EDADMP CC[C@](C)(CC(=O)OC)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000134388210 598091459 /nfs/dbraw/zinc/09/14/59/598091459.db2.gz YRMIQYBBWWHSRK-QGZVFWFLSA-N 2 1 335.452 1.050 20 0 EDADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1nc(N)[nH+]c(N)n1 ZINC000882895446 598098430 /nfs/dbraw/zinc/09/84/30/598098430.db2.gz MSUOCCIEVIHDFN-AWEZNQCLSA-N 2 1 327.436 1.527 20 0 EDADMP CN1CC[C@@H]1CNC(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000914250938 695305153 /nfs/dbraw/zinc/30/51/53/695305153.db2.gz GBTLOSKVNSSXFZ-QGZVFWFLSA-N 2 1 332.448 1.022 20 0 EDADMP CCc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)cc(C)[nH+]1 ZINC001060476360 695406086 /nfs/dbraw/zinc/40/60/86/695406086.db2.gz FSGKFZZDZJRYPZ-MLXUFAEESA-N 2 1 343.475 1.096 20 0 EDADMP CCc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cc(C)[nH+]1 ZINC001060476360 695406089 /nfs/dbraw/zinc/40/60/89/695406089.db2.gz FSGKFZZDZJRYPZ-MLXUFAEESA-N 2 1 343.475 1.096 20 0 EDADMP C[C@H]1CCN(C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000925412752 695558376 /nfs/dbraw/zinc/55/83/76/695558376.db2.gz XRXRJVKWBQLHNP-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000925412752 695558377 /nfs/dbraw/zinc/55/83/77/695558377.db2.gz XRXRJVKWBQLHNP-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000925412752 695558378 /nfs/dbraw/zinc/55/83/78/695558378.db2.gz XRXRJVKWBQLHNP-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001015599536 695736628 /nfs/dbraw/zinc/73/66/28/695736628.db2.gz PYNDAAPGOKAMIR-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001015599536 695736629 /nfs/dbraw/zinc/73/66/29/695736629.db2.gz PYNDAAPGOKAMIR-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001015599536 695736631 /nfs/dbraw/zinc/73/66/31/695736631.db2.gz PYNDAAPGOKAMIR-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001015599536 695736634 /nfs/dbraw/zinc/73/66/34/695736634.db2.gz PYNDAAPGOKAMIR-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1CC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@H]2CCCC[C@@H]12 ZINC000915208344 695763389 /nfs/dbraw/zinc/76/33/89/695763389.db2.gz FMIVOXJAYUDJBK-PMPSAXMXSA-N 2 1 348.491 1.861 20 0 EDADMP C[C@@H]1CC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@H]2CCCC[C@H]12 ZINC000915208340 695763452 /nfs/dbraw/zinc/76/34/52/695763452.db2.gz FMIVOXJAYUDJBK-OAGGEKHMSA-N 2 1 348.491 1.861 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@H+]1CC1CCC1 ZINC000993362329 696009334 /nfs/dbraw/zinc/00/93/34/696009334.db2.gz HLGBZVLTJVXKNK-WBVHZDCISA-N 2 1 347.507 1.828 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CCOC1CCC1 ZINC000993759672 696352510 /nfs/dbraw/zinc/35/25/10/696352510.db2.gz MCAGODVMRNSELA-QAPCUYQASA-N 2 1 337.508 1.866 20 0 EDADMP Cc1oncc1C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993761871 696360960 /nfs/dbraw/zinc/36/09/60/696360960.db2.gz PAMVUSIMWJIGPQ-CXAGYDPISA-N 2 1 334.464 1.794 20 0 EDADMP Cc1oncc1C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993761871 696360962 /nfs/dbraw/zinc/36/09/62/696360962.db2.gz PAMVUSIMWJIGPQ-CXAGYDPISA-N 2 1 334.464 1.794 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994211254 696583481 /nfs/dbraw/zinc/58/34/81/696583481.db2.gz YHHAQYKGRAHSSH-QAPCUYQASA-N 2 1 337.508 1.724 20 0 EDADMP CC[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000916033601 696615487 /nfs/dbraw/zinc/61/54/87/696615487.db2.gz ZUOHCJYUPPNUIK-HZPDHXFCSA-N 2 1 340.537 1.597 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)oc1C ZINC000940008414 700110408 /nfs/dbraw/zinc/11/04/08/700110408.db2.gz MREDETLRHNJLJH-OAHLLOKOSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(Cc2nccnc2C)[C@H]1C ZINC000994425234 696847430 /nfs/dbraw/zinc/84/74/30/696847430.db2.gz RNWUHQOFSNLCAY-GOEBONIOSA-N 2 1 342.447 1.459 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CCCO ZINC000948065939 697056366 /nfs/dbraw/zinc/05/63/66/697056366.db2.gz LDSIRPUBSWRXLK-NVXWUHKLSA-N 2 1 333.476 1.713 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000917897844 697099709 /nfs/dbraw/zinc/09/97/09/697099709.db2.gz DNJORLPJZFIJNQ-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP CCN1CCO[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)C1 ZINC000919127185 697246945 /nfs/dbraw/zinc/24/69/45/697246945.db2.gz OOIFHVPYMDAFAV-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP CCN1CCO[C@@H](CNC(=O)N2CCN(C)C[C@@H]2CC(C)C)C1 ZINC000919127185 697246946 /nfs/dbraw/zinc/24/69/46/697246946.db2.gz OOIFHVPYMDAFAV-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP Cc1ccc(C)c(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC001031593762 697292717 /nfs/dbraw/zinc/29/27/17/697292717.db2.gz HEJWQYWHVPUBJS-GOSISDBHSA-N 2 1 331.460 1.182 20 0 EDADMP Cc1ccc(C)c(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001031593762 697292719 /nfs/dbraw/zinc/29/27/19/697292719.db2.gz HEJWQYWHVPUBJS-GOSISDBHSA-N 2 1 331.460 1.182 20 0 EDADMP Cc1ncsc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665665 697445969 /nfs/dbraw/zinc/44/59/69/697445969.db2.gz CZASCJAPHDGTHO-HNNXBMFYSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1ncsc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031665665 697445970 /nfs/dbraw/zinc/44/59/70/697445970.db2.gz CZASCJAPHDGTHO-HNNXBMFYSA-N 2 1 336.505 1.872 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(CCO[C@@H]2CC2(F)F)C1 ZINC001031666869 697452143 /nfs/dbraw/zinc/45/21/43/697452143.db2.gz SRLUJCIRHSVUPZ-HUUCEWRRSA-N 2 1 345.434 1.331 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001031666869 697452145 /nfs/dbraw/zinc/45/21/45/697452145.db2.gz SRLUJCIRHSVUPZ-HUUCEWRRSA-N 2 1 345.434 1.331 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001031666869 697452146 /nfs/dbraw/zinc/45/21/46/697452146.db2.gz SRLUJCIRHSVUPZ-HUUCEWRRSA-N 2 1 345.434 1.331 20 0 EDADMP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031669920 697465832 /nfs/dbraw/zinc/46/58/32/697465832.db2.gz XXXXKGKGDXVZNR-IRXDYDNUSA-N 2 1 343.475 1.207 20 0 EDADMP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031669920 697465834 /nfs/dbraw/zinc/46/58/34/697465834.db2.gz XXXXKGKGDXVZNR-IRXDYDNUSA-N 2 1 343.475 1.207 20 0 EDADMP O=C(NCC1C[NH+](CCC2CCCC2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688899 697527642 /nfs/dbraw/zinc/52/76/42/697527642.db2.gz NJPBOFPHWREMOW-MSOLQXFVSA-N 2 1 335.492 1.478 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995036149 700183621 /nfs/dbraw/zinc/18/36/21/700183621.db2.gz KSVLLDNJPATEBZ-HOCLYGCPSA-N 2 1 345.422 1.800 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995036148 700183642 /nfs/dbraw/zinc/18/36/42/700183642.db2.gz KSVLLDNJPATEBZ-GOEBONIOSA-N 2 1 345.422 1.800 20 0 EDADMP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729961 698063308 /nfs/dbraw/zinc/06/33/08/698063308.db2.gz XMNBMDBILHHTGA-QGZVFWFLSA-N 2 1 345.491 1.311 20 0 EDADMP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031729961 698063311 /nfs/dbraw/zinc/06/33/11/698063311.db2.gz XMNBMDBILHHTGA-QGZVFWFLSA-N 2 1 345.491 1.311 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CCc3cccs3)C2)O1 ZINC001031765676 699056298 /nfs/dbraw/zinc/05/62/98/699056298.db2.gz LFTGCMWGCXAZFD-CZUORRHYSA-N 2 1 337.489 1.058 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CCc3cccs3)C2)O1 ZINC001031765676 699056299 /nfs/dbraw/zinc/05/62/99/699056299.db2.gz LFTGCMWGCXAZFD-CZUORRHYSA-N 2 1 337.489 1.058 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC001031776832 699169643 /nfs/dbraw/zinc/16/96/43/699169643.db2.gz PJIJFSBGGYXOLC-ZWKOTPCHSA-N 2 1 337.508 1.460 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC1CCOCC1 ZINC000939136870 699223684 /nfs/dbraw/zinc/22/36/84/699223684.db2.gz CPIVSBITQCPKJT-DOTOQJQBSA-N 2 1 337.508 1.581 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000939315949 699488955 /nfs/dbraw/zinc/48/89/55/699488955.db2.gz PAUIIZRONPABCC-HIFRSBDPSA-N 2 1 345.434 1.191 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)no1 ZINC000939386696 699539555 /nfs/dbraw/zinc/53/95/55/699539555.db2.gz DBIPHCWSFSTYEC-RHSMWYFYSA-N 2 1 334.464 1.651 20 0 EDADMP CCCC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677132 701615817 /nfs/dbraw/zinc/61/58/17/701615817.db2.gz LUZMKQMRZGOYQQ-CALCHBBNSA-N 2 1 336.524 1.488 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000939753761 699903519 /nfs/dbraw/zinc/90/35/19/699903519.db2.gz IQUJETVAAQWSRB-DYVFJYSZSA-N 2 1 330.407 1.967 20 0 EDADMP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000940327423 700504183 /nfs/dbraw/zinc/50/41/83/700504183.db2.gz BBRKDYBISQGSSU-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP CCCc1nc(CNC2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000940457767 700661585 /nfs/dbraw/zinc/66/15/85/700661585.db2.gz SVVYPEJMFUGEBO-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP CCCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000940457767 700661586 /nfs/dbraw/zinc/66/15/86/700661586.db2.gz SVVYPEJMFUGEBO-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP CCCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000940457767 700661587 /nfs/dbraw/zinc/66/15/87/700661587.db2.gz SVVYPEJMFUGEBO-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)CC2(C)C)n1 ZINC000940754090 700890674 /nfs/dbraw/zinc/89/06/74/700890674.db2.gz TXLZMISPFJXKJS-QGZVFWFLSA-N 2 1 347.507 1.685 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cnn(C)c3)CC2(C)C)CC[N@H+]1C ZINC000940756877 700892001 /nfs/dbraw/zinc/89/20/01/700892001.db2.gz LSULWNOBOKKDNC-DJIMGWMZSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)c3)CC2(C)C)CC[NH+]1C ZINC000940756877 700892003 /nfs/dbraw/zinc/89/20/03/700892003.db2.gz LSULWNOBOKKDNC-DJIMGWMZSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)c3)CC2(C)C)CC[NH+]1C ZINC000940756877 700892004 /nfs/dbraw/zinc/89/20/04/700892004.db2.gz LSULWNOBOKKDNC-DJIMGWMZSA-N 2 1 347.507 1.477 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCOC)CC2(C)C)C1 ZINC000940973843 701015949 /nfs/dbraw/zinc/01/59/49/701015949.db2.gz XSZWIJRVYSGJGS-SJORKVTESA-N 2 1 339.524 1.972 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CCOC)CC2(C)C)C1 ZINC000940973843 701015951 /nfs/dbraw/zinc/01/59/51/701015951.db2.gz XSZWIJRVYSGJGS-SJORKVTESA-N 2 1 339.524 1.972 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCOC)CC2(C)C)C1 ZINC000940973843 701015953 /nfs/dbraw/zinc/01/59/53/701015953.db2.gz XSZWIJRVYSGJGS-SJORKVTESA-N 2 1 339.524 1.972 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CCOC3CCC3)C2)C1 ZINC001031919621 701048887 /nfs/dbraw/zinc/04/88/87/701048887.db2.gz WVBCFQSGKBLBEA-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C)c3)C2)C1 ZINC001032197359 701691899 /nfs/dbraw/zinc/69/18/99/701691899.db2.gz JITIKFHMCYYNIW-GOSISDBHSA-N 2 1 331.460 1.264 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C)c3)C2)C1 ZINC001032197359 701691902 /nfs/dbraw/zinc/69/19/02/701691902.db2.gz JITIKFHMCYYNIW-GOSISDBHSA-N 2 1 331.460 1.264 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CCC[C@@H]3CCOC3)C2)CC[N@H+]1C ZINC001031925282 701140452 /nfs/dbraw/zinc/14/04/52/701140452.db2.gz CWYKWAMWYSBFGA-JZXOWHBKSA-N 2 1 337.508 1.581 20 0 EDADMP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001032197538 701695438 /nfs/dbraw/zinc/69/54/38/701695438.db2.gz NIOBJETWTDKRAG-RBUKOAKNSA-N 2 1 345.487 1.906 20 0 EDADMP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001032197538 701695440 /nfs/dbraw/zinc/69/54/40/701695440.db2.gz NIOBJETWTDKRAG-RBUKOAKNSA-N 2 1 345.487 1.906 20 0 EDADMP CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)c1cccc(-n2ccnc2)c1 ZINC000941137198 701196652 /nfs/dbraw/zinc/19/66/52/701196652.db2.gz WYBNSWKCNBPQOP-QGZVFWFLSA-N 2 1 342.443 1.695 20 0 EDADMP Cc1conc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166700 701377473 /nfs/dbraw/zinc/37/74/73/701377473.db2.gz HDIXBTBQTWNFFN-INIZCTEOSA-N 2 1 346.475 1.796 20 0 EDADMP Cc1conc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166700 701377474 /nfs/dbraw/zinc/37/74/74/701377474.db2.gz HDIXBTBQTWNFFN-INIZCTEOSA-N 2 1 346.475 1.796 20 0 EDADMP CC[C@@H](C[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1)OC ZINC001031931278 701378903 /nfs/dbraw/zinc/37/89/03/701378903.db2.gz HXWKRDITFXMTGI-RDJZCZTQSA-N 2 1 334.464 1.227 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CC3)CC2(C)C)C1 ZINC000941231488 701405207 /nfs/dbraw/zinc/40/52/07/701405207.db2.gz RQJUYYBCOLPCSN-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CC3)CC2(C)C)C1 ZINC000941231488 701405209 /nfs/dbraw/zinc/40/52/09/701405209.db2.gz RQJUYYBCOLPCSN-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCC3CC3)CC2(C)C)C1 ZINC000941231488 701405210 /nfs/dbraw/zinc/40/52/10/701405210.db2.gz RQJUYYBCOLPCSN-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC3CC3)CC2(C)C)C1 ZINC000941231488 701405212 /nfs/dbraw/zinc/40/52/12/701405212.db2.gz RQJUYYBCOLPCSN-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cscn3)C[C@H]2CC1 ZINC000946518554 706604277 /nfs/dbraw/zinc/60/42/77/706604277.db2.gz WSHQSOOEKPSQDC-UXLLHSPISA-N 2 1 348.516 1.908 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cscn3)C[C@H]2CC1 ZINC000946518554 706604278 /nfs/dbraw/zinc/60/42/78/706604278.db2.gz WSHQSOOEKPSQDC-UXLLHSPISA-N 2 1 348.516 1.908 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cscn3)C[C@H]2CC1 ZINC000946518554 706604279 /nfs/dbraw/zinc/60/42/79/706604279.db2.gz WSHQSOOEKPSQDC-UXLLHSPISA-N 2 1 348.516 1.908 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941430807 701537779 /nfs/dbraw/zinc/53/77/79/701537779.db2.gz CWDJKWCVPGQMJG-SFHVURJKSA-N 2 1 334.508 1.099 20 0 EDADMP CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC000941432480 701538568 /nfs/dbraw/zinc/53/85/68/701538568.db2.gz ANMJQOHBNTWNOW-QGZVFWFLSA-N 2 1 336.524 1.203 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc1 ZINC000999174041 706605512 /nfs/dbraw/zinc/60/55/12/706605512.db2.gz NJQGZKPWPXVFRH-SJORKVTESA-N 2 1 343.475 1.207 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCOc2cccc(F)c2)C1 ZINC001031976791 701920852 /nfs/dbraw/zinc/92/08/52/701920852.db2.gz SNMIURLCJDFBFU-KSSFIOAISA-N 2 1 349.450 1.450 20 0 EDADMP CC(C)c1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)n1 ZINC001031977207 702014624 /nfs/dbraw/zinc/01/46/24/702014624.db2.gz AVYGVJVSODSAII-MAUKXSAKSA-N 2 1 344.503 1.951 20 0 EDADMP CC(C)c1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)n1 ZINC001031977207 702014630 /nfs/dbraw/zinc/01/46/30/702014630.db2.gz AVYGVJVSODSAII-MAUKXSAKSA-N 2 1 344.503 1.951 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000999192193 706634842 /nfs/dbraw/zinc/63/48/42/706634842.db2.gz DIAVFIFCLYLBAL-BFYDXBDKSA-N 2 1 331.464 1.206 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000995805329 702051044 /nfs/dbraw/zinc/05/10/44/702051044.db2.gz UTTYSZNYQMHYON-CABCVRRESA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000995805329 702051051 /nfs/dbraw/zinc/05/10/51/702051051.db2.gz UTTYSZNYQMHYON-CABCVRRESA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000995806325 702051958 /nfs/dbraw/zinc/05/19/58/702051958.db2.gz WCZVYTAGRJOAQK-IRXDYDNUSA-N 2 1 347.507 1.620 20 0 EDADMP CC(C)CC[NH+]1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001031978307 702079332 /nfs/dbraw/zinc/07/93/32/702079332.db2.gz BOKALKNYUYBIHY-UHFFFAOYSA-N 2 1 334.464 1.978 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001032206047 702126835 /nfs/dbraw/zinc/12/68/35/702126835.db2.gz QFJCBKQLSKGSEG-IBGZPJMESA-N 2 1 345.487 1.601 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001032206242 702136111 /nfs/dbraw/zinc/13/61/11/702136111.db2.gz VSYUJGTWHFJNSC-LJQANCHMSA-N 2 1 345.487 1.988 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995819140 702136457 /nfs/dbraw/zinc/13/64/57/702136457.db2.gz CNVZCQFLWPWQPY-NVXWUHKLSA-N 2 1 346.475 1.651 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nocc3C)C2)CC[N@@H+]1C ZINC000999203125 706647915 /nfs/dbraw/zinc/64/79/15/706647915.db2.gz YQNQCXSYHQSDNF-YQQAZPJKSA-N 2 1 334.464 1.794 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nocc3C)C2)CC[N@H+]1C ZINC000999203125 706647919 /nfs/dbraw/zinc/64/79/19/706647919.db2.gz YQNQCXSYHQSDNF-YQQAZPJKSA-N 2 1 334.464 1.794 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nncs3)C2)CC[N@@H+]1C ZINC000999203773 706649087 /nfs/dbraw/zinc/64/90/87/706649087.db2.gz COEFXVZDWKUAPJ-HZSPNIEDSA-N 2 1 337.493 1.349 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nncs3)C2)CC[N@H+]1C ZINC000999203773 706649090 /nfs/dbraw/zinc/64/90/90/706649090.db2.gz COEFXVZDWKUAPJ-HZSPNIEDSA-N 2 1 337.493 1.349 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](C[C@H]3CCc4ccccc4C3)C2)C1 ZINC001032182796 702211135 /nfs/dbraw/zinc/21/11/35/702211135.db2.gz REAYBXBHVJUOJF-OXJNMPFZSA-N 2 1 341.499 1.791 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)nn1C ZINC000995917741 702235869 /nfs/dbraw/zinc/23/58/69/702235869.db2.gz MLVQIHILRHEHLU-QGZVFWFLSA-N 2 1 347.507 1.539 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCOCC1 ZINC001032663965 706653670 /nfs/dbraw/zinc/65/36/70/706653670.db2.gz LEEUUGCECHNXNF-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032663965 706653673 /nfs/dbraw/zinc/65/36/73/706653673.db2.gz LEEUUGCECHNXNF-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032663965 706653675 /nfs/dbraw/zinc/65/36/75/706653675.db2.gz LEEUUGCECHNXNF-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2nnc(C)s2)C(C)(C)C1)[NH+](C)C ZINC000995947089 702294514 /nfs/dbraw/zinc/29/45/14/702294514.db2.gz ITGZOTGUDWHRPV-OLZOCXBDSA-N 2 1 339.509 1.513 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995964424 702309354 /nfs/dbraw/zinc/30/93/54/702309354.db2.gz APPVOMDRKSTWQA-CVEARBPZSA-N 2 1 347.507 1.714 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CCOC3CCCCCC3)C2)C1 ZINC001032185918 702312194 /nfs/dbraw/zinc/31/21/94/702312194.db2.gz FOBAPXOUOMMNDK-KRWDZBQOSA-N 2 1 337.508 1.726 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnoc3C)C2)CC[N@H+]1C ZINC000999206251 706659953 /nfs/dbraw/zinc/65/99/53/706659953.db2.gz IRQPKEVGVIXNHW-IXDOHACOSA-N 2 1 334.464 1.794 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NCc2nccs2)C(C)(C)C1 ZINC000995973905 702359535 /nfs/dbraw/zinc/35/95/35/702359535.db2.gz GEJNPWYKLCSOSU-ZIAGYGMSSA-N 2 1 336.505 1.954 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000995973905 702359548 /nfs/dbraw/zinc/35/95/48/702359548.db2.gz GEJNPWYKLCSOSU-ZIAGYGMSSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)nn1C ZINC000944170003 702412602 /nfs/dbraw/zinc/41/26/02/702412602.db2.gz RJIAPMWFJQXFEV-YOEHRIQHSA-N 2 1 345.491 1.151 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)nn1C ZINC000944170003 702412605 /nfs/dbraw/zinc/41/26/05/702412605.db2.gz RJIAPMWFJQXFEV-YOEHRIQHSA-N 2 1 345.491 1.151 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944154069 702442115 /nfs/dbraw/zinc/44/21/15/702442115.db2.gz JGYQXEUZINPJNQ-YOEHRIQHSA-N 2 1 346.475 1.659 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2cncc(C)c2)C(C)(C)C1 ZINC000996042904 702460223 /nfs/dbraw/zinc/46/02/23/702460223.db2.gz NVONWRVZRGBBKL-KRWDZBQOSA-N 2 1 341.459 1.922 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)o1 ZINC000996463901 702791591 /nfs/dbraw/zinc/79/15/91/702791591.db2.gz JLFVNICUNDFZTC-HNNXBMFYSA-N 2 1 349.479 1.585 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)o1 ZINC000996463901 702791592 /nfs/dbraw/zinc/79/15/92/702791592.db2.gz JLFVNICUNDFZTC-HNNXBMFYSA-N 2 1 349.479 1.585 20 0 EDADMP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996500575 702839418 /nfs/dbraw/zinc/83/94/18/702839418.db2.gz GXZKAFIALZQRGG-NVXWUHKLSA-N 2 1 346.475 1.938 20 0 EDADMP C[C@@H]([NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C)c1ncccn1 ZINC000996521904 702857583 /nfs/dbraw/zinc/85/75/83/702857583.db2.gz UHXBADOBSIGMCL-CABCVRRESA-N 2 1 343.475 1.460 20 0 EDADMP CCc1noc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)n1 ZINC000996602169 702908806 /nfs/dbraw/zinc/90/88/06/702908806.db2.gz FFZUQIOJNRLXFA-LSDHHAIUSA-N 2 1 349.479 1.443 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)n1 ZINC000996602169 702908808 /nfs/dbraw/zinc/90/88/08/702908808.db2.gz FFZUQIOJNRLXFA-LSDHHAIUSA-N 2 1 349.479 1.443 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)n1 ZINC000996602169 702908810 /nfs/dbraw/zinc/90/88/10/702908810.db2.gz FFZUQIOJNRLXFA-LSDHHAIUSA-N 2 1 349.479 1.443 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)c(C)n1 ZINC000996608068 702911094 /nfs/dbraw/zinc/91/10/94/702911094.db2.gz FQIMDWRFZJRZES-QZTJIDSGSA-N 2 1 344.503 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996608157 702911501 /nfs/dbraw/zinc/91/15/01/702911501.db2.gz BULCBMHBVJGPBM-INIZCTEOSA-N 2 1 334.464 1.445 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCc3ccns3)C(C)(C)C2)C1 ZINC000996609993 702921055 /nfs/dbraw/zinc/92/10/55/702921055.db2.gz IVSCQZATLUISQT-DZGCQCFKSA-N 2 1 336.505 1.464 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996619008 702925578 /nfs/dbraw/zinc/92/55/78/702925578.db2.gz YAKNFOFXLZQHDH-ZFWWWQNUSA-N 2 1 334.464 1.515 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996619008 702925580 /nfs/dbraw/zinc/92/55/80/702925580.db2.gz YAKNFOFXLZQHDH-ZFWWWQNUSA-N 2 1 334.464 1.515 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nc(C)no2)CC1 ZINC000996644307 702946890 /nfs/dbraw/zinc/94/68/90/702946890.db2.gz JGWRSVQRURIKAA-XJKSGUPXSA-N 2 1 349.479 1.894 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nc(C)no2)CC1 ZINC000996644307 702946892 /nfs/dbraw/zinc/94/68/92/702946892.db2.gz JGWRSVQRURIKAA-XJKSGUPXSA-N 2 1 349.479 1.894 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2nc(C)no2)CC1 ZINC000996644306 702947083 /nfs/dbraw/zinc/94/70/83/702947083.db2.gz JGWRSVQRURIKAA-CZUORRHYSA-N 2 1 349.479 1.894 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2nc(C)no2)CC1 ZINC000996644306 702947085 /nfs/dbraw/zinc/94/70/85/702947085.db2.gz JGWRSVQRURIKAA-CZUORRHYSA-N 2 1 349.479 1.894 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC000996668906 702964776 /nfs/dbraw/zinc/96/47/76/702964776.db2.gz MHIIMZYWYICRMZ-QGZVFWFLSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000996670558 702971974 /nfs/dbraw/zinc/97/19/74/702971974.db2.gz ZGOFRRODQFPAAT-SFHVURJKSA-N 2 1 347.507 1.764 20 0 EDADMP CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1ncccn1 ZINC000996671874 702972706 /nfs/dbraw/zinc/97/27/06/702972706.db2.gz OWRHVMDRRXBWFQ-MRXNPFEDSA-N 2 1 345.491 1.679 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nonc2C)C(C)(C)C1 ZINC000996671905 702972862 /nfs/dbraw/zinc/97/28/62/702972862.db2.gz PKNGRYKDKRUMLA-HZPDHXFCSA-N 2 1 349.479 1.579 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nonc2C)C(C)(C)C1 ZINC000996671905 702972866 /nfs/dbraw/zinc/97/28/66/702972866.db2.gz PKNGRYKDKRUMLA-HZPDHXFCSA-N 2 1 349.479 1.579 20 0 EDADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC([NH2+]CCC2CC2)CC1 ZINC000996672576 702973487 /nfs/dbraw/zinc/97/34/87/702973487.db2.gz RKLMVOOSPKHUSB-QGZVFWFLSA-N 2 1 333.480 1.194 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1)C1CC1 ZINC000996675094 702974116 /nfs/dbraw/zinc/97/41/16/702974116.db2.gz FBGOMWOCXLGRMJ-MRXNPFEDSA-N 2 1 347.463 1.368 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996680183 702978947 /nfs/dbraw/zinc/97/89/47/702978947.db2.gz UBDKDKLGIPBPEG-GOEBONIOSA-N 2 1 332.448 1.378 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC000996690972 702988060 /nfs/dbraw/zinc/98/80/60/702988060.db2.gz QHSFVRCHWQVBOK-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP O=C(N1CCC([NH2+]Cc2cnsn2)CC1)C12CCC[NH+](CCC1)C2 ZINC000996723789 703018735 /nfs/dbraw/zinc/01/87/35/703018735.db2.gz YDMLNHHBNCFVCN-UHFFFAOYSA-N 2 1 349.504 1.495 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2conc2C)C[C@@H]1C ZINC000942519149 703021003 /nfs/dbraw/zinc/02/10/03/703021003.db2.gz ZGPPCFPABKTHLN-LRDDRELGSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2conc2C)C[C@@H]1C ZINC000942519149 703021006 /nfs/dbraw/zinc/02/10/06/703021006.db2.gz ZGPPCFPABKTHLN-LRDDRELGSA-N 2 1 331.420 1.515 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942529168 703029785 /nfs/dbraw/zinc/02/97/85/703029785.db2.gz GSJZEQYLRQSMOO-QFBILLFUSA-N 2 1 347.503 1.877 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555277 703068594 /nfs/dbraw/zinc/06/85/94/703068594.db2.gz HMIVZBKSHDBOFQ-RDJZCZTQSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555277 703068597 /nfs/dbraw/zinc/06/85/97/703068597.db2.gz HMIVZBKSHDBOFQ-RDJZCZTQSA-N 2 1 347.507 1.621 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N(Cc2cccnc2)C[C@@H]2CC[NH+](CCF)C2)C1 ZINC000995267410 703187542 /nfs/dbraw/zinc/18/75/42/703187542.db2.gz KUNOPABANYJRKD-MSOLQXFVSA-N 2 1 348.466 1.653 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N(Cc2cccnc2)C[C@@H]2CC[N@H+](CCF)C2)C1 ZINC000995267410 703187543 /nfs/dbraw/zinc/18/75/43/703187543.db2.gz KUNOPABANYJRKD-MSOLQXFVSA-N 2 1 348.466 1.653 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N(Cc2cccnc2)C[C@@H]2CC[N@@H+](CCF)C2)C1 ZINC000995267410 703187545 /nfs/dbraw/zinc/18/75/45/703187545.db2.gz KUNOPABANYJRKD-MSOLQXFVSA-N 2 1 348.466 1.653 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC([NH2+]C[C@@H]3CCOC3)CC1)CC2 ZINC000996936299 703205614 /nfs/dbraw/zinc/20/56/14/703205614.db2.gz RXECOLFXNCVJHN-JKSUJKDBSA-N 2 1 346.475 1.371 20 0 EDADMP Cc1ncc(CN2CC(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)cn1 ZINC001032042938 703210464 /nfs/dbraw/zinc/21/04/64/703210464.db2.gz PASUILZIMXGGKM-QZTJIDSGSA-N 2 1 343.475 1.350 20 0 EDADMP Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997011584 703271584 /nfs/dbraw/zinc/27/15/84/703271584.db2.gz XDQCOXCXEIHANJ-CJNGLKHVSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC000997012558 703272220 /nfs/dbraw/zinc/27/22/20/703272220.db2.gz XUOUVWJRDCYBEE-CXAGYDPISA-N 2 1 331.464 1.063 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000997059506 703304879 /nfs/dbraw/zinc/30/48/79/703304879.db2.gz DOOLXXMHNQMXQW-GOSISDBHSA-N 2 1 347.507 1.764 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](Cc2ncccn2)CC1 ZINC000997102100 703341907 /nfs/dbraw/zinc/34/19/07/703341907.db2.gz VJNCKTNFSPXDHV-BFYDXBDKSA-N 2 1 345.491 1.534 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2ncccn2)CC1 ZINC000997102100 703341909 /nfs/dbraw/zinc/34/19/09/703341909.db2.gz VJNCKTNFSPXDHV-BFYDXBDKSA-N 2 1 345.491 1.534 20 0 EDADMP Cc1nc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001032411035 703441965 /nfs/dbraw/zinc/44/19/65/703441965.db2.gz FJSCKQXKHJTWBD-ISWURRPUSA-N 2 1 348.516 1.619 20 0 EDADMP Cc1nc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001032411035 703441967 /nfs/dbraw/zinc/44/19/67/703441967.db2.gz FJSCKQXKHJTWBD-ISWURRPUSA-N 2 1 348.516 1.619 20 0 EDADMP Cc1nc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cs1 ZINC001032411035 703441968 /nfs/dbraw/zinc/44/19/68/703441968.db2.gz FJSCKQXKHJTWBD-ISWURRPUSA-N 2 1 348.516 1.619 20 0 EDADMP Cc1nc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cs1 ZINC001032411035 703441970 /nfs/dbraw/zinc/44/19/70/703441970.db2.gz FJSCKQXKHJTWBD-ISWURRPUSA-N 2 1 348.516 1.619 20 0 EDADMP CCc1nocc1C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997182845 703467871 /nfs/dbraw/zinc/46/78/71/703467871.db2.gz IHVWBOKHOWEUHE-AWEZNQCLSA-N 2 1 334.464 1.659 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997180159 703470593 /nfs/dbraw/zinc/47/05/93/703470593.db2.gz FWUXTRWVFLWSDQ-QAPCUYQASA-N 2 1 347.507 1.621 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000997311145 703567712 /nfs/dbraw/zinc/56/77/12/703567712.db2.gz WSDJQIXHUDKRED-UHFFFAOYSA-N 2 1 345.447 1.831 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2nc(C)no2)CC1 ZINC000997367108 703601312 /nfs/dbraw/zinc/60/13/12/703601312.db2.gz SFGHCCJNRIYNRH-CZUORRHYSA-N 2 1 349.479 1.894 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2nc(C)no2)CC1 ZINC000997367108 703601314 /nfs/dbraw/zinc/60/13/14/703601314.db2.gz SFGHCCJNRIYNRH-CZUORRHYSA-N 2 1 349.479 1.894 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)o1 ZINC000997368215 703604911 /nfs/dbraw/zinc/60/49/11/703604911.db2.gz CJOWLLOBWOTKNF-KRWDZBQOSA-N 2 1 349.479 1.579 20 0 EDADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000921584347 703627569 /nfs/dbraw/zinc/62/75/69/703627569.db2.gz UVUXRZOVJXQJEF-HDMKZQKVSA-N 2 1 345.491 1.999 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997420345 703670261 /nfs/dbraw/zinc/67/02/61/703670261.db2.gz HNWLYZFFJSNSNL-PBHICJAKSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cncc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000997605169 703901815 /nfs/dbraw/zinc/90/18/15/703901815.db2.gz DQNLVFVTINQCLO-GOSISDBHSA-N 2 1 330.476 1.812 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](CCCF)CC1 ZINC000997635619 703937053 /nfs/dbraw/zinc/93/70/53/703937053.db2.gz HNBJAXBBKRQDAB-IJEWVQPXSA-N 2 1 329.460 1.282 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](CCCF)CC1 ZINC000997635619 703937055 /nfs/dbraw/zinc/93/70/55/703937055.db2.gz HNBJAXBBKRQDAB-IJEWVQPXSA-N 2 1 329.460 1.282 20 0 EDADMP Cc1cccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000997643630 703952324 /nfs/dbraw/zinc/95/23/24/703952324.db2.gz AZDXAEJVOCRLRB-IBGZPJMESA-N 2 1 345.487 1.654 20 0 EDADMP Cc1cccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000997643630 703952325 /nfs/dbraw/zinc/95/23/25/703952325.db2.gz AZDXAEJVOCRLRB-IBGZPJMESA-N 2 1 345.487 1.654 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)s1 ZINC000995554471 703970202 /nfs/dbraw/zinc/97/02/02/703970202.db2.gz WZOJCNMCZFWLBJ-UONOGXRCSA-N 2 1 336.505 1.872 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccnn3C)C2)CC[N@H+]1C ZINC000999291461 706786910 /nfs/dbraw/zinc/78/69/10/706786910.db2.gz BQAGWZRJIBPPTE-JPQBHMHHSA-N 2 1 333.480 1.229 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033073406 704112602 /nfs/dbraw/zinc/11/26/02/704112602.db2.gz QFLAYXBEWPPZIH-ZWKOTPCHSA-N 2 1 347.507 1.634 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033073406 704112605 /nfs/dbraw/zinc/11/26/05/704112605.db2.gz QFLAYXBEWPPZIH-ZWKOTPCHSA-N 2 1 347.507 1.634 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033073406 704112608 /nfs/dbraw/zinc/11/26/08/704112608.db2.gz QFLAYXBEWPPZIH-ZWKOTPCHSA-N 2 1 347.507 1.634 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033073406 704112609 /nfs/dbraw/zinc/11/26/09/704112609.db2.gz QFLAYXBEWPPZIH-ZWKOTPCHSA-N 2 1 347.507 1.634 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)co1 ZINC000999294364 706791537 /nfs/dbraw/zinc/79/15/37/706791537.db2.gz SIBNAPIMQAFQJD-QPDVLNQLSA-N 2 1 334.464 1.792 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)co1 ZINC000999294364 706791542 /nfs/dbraw/zinc/79/15/42/706791542.db2.gz SIBNAPIMQAFQJD-QPDVLNQLSA-N 2 1 334.464 1.792 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033080819 704135654 /nfs/dbraw/zinc/13/56/54/704135654.db2.gz JOITXJAQKZSRBG-ROUUACIJSA-N 2 1 342.487 1.765 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](C[C@H](C)O)C[C@H]3CC2)CC[N@H+]1C ZINC000946597670 704292678 /nfs/dbraw/zinc/29/26/78/704292678.db2.gz FGFSIGLSENZPLS-IECFSIQFSA-N 2 1 337.508 1.268 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](C[C@H](C)O)C[C@H]3CC2)CC[NH+]1C ZINC000946597670 704292679 /nfs/dbraw/zinc/29/26/79/704292679.db2.gz FGFSIGLSENZPLS-IECFSIQFSA-N 2 1 337.508 1.268 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](C[C@H](C)O)C[C@H]3CC2)CC[NH+]1C ZINC000946597670 704292680 /nfs/dbraw/zinc/29/26/80/704292680.db2.gz FGFSIGLSENZPLS-IECFSIQFSA-N 2 1 337.508 1.268 20 0 EDADMP Cc1nnsc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947935205 704627881 /nfs/dbraw/zinc/62/78/81/704627881.db2.gz PKXDKOTWHKQTIH-OCCSQVGLSA-N 2 1 349.504 1.411 20 0 EDADMP Cc1nnsc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947935205 704627883 /nfs/dbraw/zinc/62/78/83/704627883.db2.gz PKXDKOTWHKQTIH-OCCSQVGLSA-N 2 1 349.504 1.411 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947936333 704664812 /nfs/dbraw/zinc/66/48/12/704664812.db2.gz VLYNHXYLWBEPEE-CJNGLKHVSA-N 2 1 346.475 1.856 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000997821700 704741498 /nfs/dbraw/zinc/74/14/98/704741498.db2.gz PRPPFNXRPLKDJB-KRWDZBQOSA-N 2 1 345.491 1.679 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]C[C@H]2C[C@@]23CCOC3)CC1)C1CCC1 ZINC000997831456 704749518 /nfs/dbraw/zinc/74/95/18/704749518.db2.gz SHYVLOPBMXVSBJ-YLJYHZDGSA-N 2 1 349.519 1.726 20 0 EDADMP CCc1nnc(CN2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944963467 704829227 /nfs/dbraw/zinc/82/92/27/704829227.db2.gz ALKWCBIBXOGDRB-GXTWGEPZSA-N 2 1 346.435 1.164 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCOC2CCC2)C[C@H]1C ZINC000944964110 704831777 /nfs/dbraw/zinc/83/17/77/704831777.db2.gz GNHPITPSIABWEQ-RHSMWYFYSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCOC2CCC2)C[C@H]1C ZINC000944964110 704831784 /nfs/dbraw/zinc/83/17/84/704831784.db2.gz GNHPITPSIABWEQ-RHSMWYFYSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2C)C[C@H]1C ZINC000944964698 704833152 /nfs/dbraw/zinc/83/31/52/704833152.db2.gz KFCHTYFYUUZYHC-RDTXWAMCSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2C)C[C@H]1C ZINC000944964698 704833159 /nfs/dbraw/zinc/83/31/59/704833159.db2.gz KFCHTYFYUUZYHC-RDTXWAMCSA-N 2 1 341.459 1.922 20 0 EDADMP CCn1ccnc1CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944965360 704835921 /nfs/dbraw/zinc/83/59/21/704835921.db2.gz RIFDGOZVUGBLST-GDBMZVCRSA-N 2 1 344.463 1.435 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000997915352 704979523 /nfs/dbraw/zinc/97/95/23/704979523.db2.gz LKVRBIORJCKLAL-IEBWSBKVSA-N 2 1 346.475 1.446 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+][C@H](C)c2ncccn2)CC1 ZINC000997916346 704981317 /nfs/dbraw/zinc/98/13/17/704981317.db2.gz RXTXIOCXOWPPGF-OAHLLOKOSA-N 2 1 342.447 1.571 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC000998081556 705302253 /nfs/dbraw/zinc/30/22/53/705302253.db2.gz JKLYYBDXSFVFDS-UONOGXRCSA-N 2 1 349.479 1.609 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998082563 705310297 /nfs/dbraw/zinc/31/02/97/705310297.db2.gz QSERIENWVRWZJV-YJBOKZPZSA-N 2 1 330.476 1.608 20 0 EDADMP Cc1cccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998083042 705311686 /nfs/dbraw/zinc/31/16/86/705311686.db2.gz UEGIHCSEPVJZSJ-FUHWJXTLSA-N 2 1 344.503 1.916 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000998268702 705644890 /nfs/dbraw/zinc/64/48/90/705644890.db2.gz IBZAFBKBUDGDKT-YJBOKZPZSA-N 2 1 348.491 1.835 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3nnc(C4CC4)o3)CC2)C1 ZINC000998272632 705656297 /nfs/dbraw/zinc/65/62/97/705656297.db2.gz MORSUEMBOPSOSH-OAHLLOKOSA-N 2 1 347.463 1.227 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3nnc(C4CC4)o3)CC2)C1 ZINC000998272632 705656301 /nfs/dbraw/zinc/65/63/01/705656301.db2.gz MORSUEMBOPSOSH-OAHLLOKOSA-N 2 1 347.463 1.227 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccccc1 ZINC001032626870 705729147 /nfs/dbraw/zinc/72/91/47/705729147.db2.gz NELPTHQSAQHIJF-WDSOQIARSA-N 2 1 327.472 1.999 20 0 EDADMP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628965 705746855 /nfs/dbraw/zinc/74/68/55/705746855.db2.gz PWXGKTFKAIZTSF-ZQIUZPCESA-N 2 1 327.444 1.130 20 0 EDADMP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628965 705746856 /nfs/dbraw/zinc/74/68/56/705746856.db2.gz PWXGKTFKAIZTSF-ZQIUZPCESA-N 2 1 327.444 1.130 20 0 EDADMP COCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001032628965 705746858 /nfs/dbraw/zinc/74/68/58/705746858.db2.gz PWXGKTFKAIZTSF-ZQIUZPCESA-N 2 1 327.444 1.130 20 0 EDADMP COCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001032628965 705746861 /nfs/dbraw/zinc/74/68/61/705746861.db2.gz PWXGKTFKAIZTSF-ZQIUZPCESA-N 2 1 327.444 1.130 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000998731569 706164418 /nfs/dbraw/zinc/16/44/18/706164418.db2.gz OLDWPTNXEFUVKW-QAPCUYQASA-N 2 1 345.491 1.394 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000998732354 706165253 /nfs/dbraw/zinc/16/52/53/706165253.db2.gz RSAVQSWPUDFNEZ-IRXDYDNUSA-N 2 1 333.480 1.175 20 0 EDADMP Cc1nnsc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998791153 706238133 /nfs/dbraw/zinc/23/81/33/706238133.db2.gz ISQKAHXJZQLGOJ-BLYZHGLHSA-N 2 1 337.493 1.266 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1C ZINC000998794718 706241566 /nfs/dbraw/zinc/24/15/66/706241566.db2.gz FUSSQTOOZZDQEO-RKHAHWSXSA-N 2 1 333.480 1.148 20 0 EDADMP Cc1ccc(F)cc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998831240 706261153 /nfs/dbraw/zinc/26/11/53/706261153.db2.gz ZVJDYEIKCWJPDL-ROUUACIJSA-N 2 1 349.450 1.545 20 0 EDADMP Cc1ccc(F)cc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998831240 706261155 /nfs/dbraw/zinc/26/11/55/706261155.db2.gz ZVJDYEIKCWJPDL-ROUUACIJSA-N 2 1 349.450 1.545 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC000998827112 706273751 /nfs/dbraw/zinc/27/37/51/706273751.db2.gz QKUFKHWQCXFXOQ-IRXDYDNUSA-N 2 1 335.492 1.478 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC000998827112 706273754 /nfs/dbraw/zinc/27/37/54/706273754.db2.gz QKUFKHWQCXFXOQ-IRXDYDNUSA-N 2 1 335.492 1.478 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000998864857 706294454 /nfs/dbraw/zinc/29/44/54/706294454.db2.gz CMAZEUSZEDVPHC-VJFUWPCTSA-N 2 1 347.507 1.682 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)ncn2)C1 ZINC000998866494 706296369 /nfs/dbraw/zinc/29/63/69/706296369.db2.gz KEXUVCNGAKYPOL-VJFUWPCTSA-N 2 1 345.491 1.738 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(CC)nn2)C1 ZINC000998866501 706296527 /nfs/dbraw/zinc/29/65/27/706296527.db2.gz KLQFRZSZRDXGAT-BDVYOWHSSA-N 2 1 348.495 1.251 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000998901306 706337594 /nfs/dbraw/zinc/33/75/94/706337594.db2.gz MFHKUZOMBJFTIZ-PQUAAJSLSA-N 2 1 347.507 1.762 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC(NCc2noc(C3CC3)n2)C1 ZINC000998989594 706421346 /nfs/dbraw/zinc/42/13/46/706421346.db2.gz ULZZJKLIDADZAG-YMAMQOFZSA-N 2 1 347.463 1.510 20 0 EDADMP Cc1cnc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC[C@@H]3C2)o1 ZINC000946517892 706555014 /nfs/dbraw/zinc/55/50/14/706555014.db2.gz LMXXMVNAQNAXIG-BBWFWOEESA-N 2 1 346.475 1.748 20 0 EDADMP Cc1cnc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC[C@@H]3C2)o1 ZINC000946517892 706555017 /nfs/dbraw/zinc/55/50/17/706555017.db2.gz LMXXMVNAQNAXIG-BBWFWOEESA-N 2 1 346.475 1.748 20 0 EDADMP Cc1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC[C@@H]3C2)o1 ZINC000946517892 706555019 /nfs/dbraw/zinc/55/50/19/706555019.db2.gz LMXXMVNAQNAXIG-BBWFWOEESA-N 2 1 346.475 1.748 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000999144743 706558487 /nfs/dbraw/zinc/55/84/87/706558487.db2.gz NIWVFXNIMPMPOO-RDJZCZTQSA-N 2 1 333.480 1.374 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cnsn2)C1 ZINC000999145043 706558544 /nfs/dbraw/zinc/55/85/44/706558544.db2.gz OWCUJHLJWUVEEW-ZFWWWQNUSA-N 2 1 337.493 1.492 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)nc1 ZINC000999405751 706915147 /nfs/dbraw/zinc/91/51/47/706915147.db2.gz HBCONPCDJDMHPN-QQFBHYJXSA-N 2 1 331.464 1.348 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)nc1 ZINC000999405751 706915150 /nfs/dbraw/zinc/91/51/50/706915150.db2.gz HBCONPCDJDMHPN-QQFBHYJXSA-N 2 1 331.464 1.348 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)o1 ZINC000999507434 707004993 /nfs/dbraw/zinc/00/49/93/707004993.db2.gz ZIJOMBCHPOPXGD-GPANFISMSA-N 2 1 349.479 1.720 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)o1 ZINC000999507434 707004994 /nfs/dbraw/zinc/00/49/94/707004994.db2.gz ZIJOMBCHPOPXGD-GPANFISMSA-N 2 1 349.479 1.720 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000999509036 707006752 /nfs/dbraw/zinc/00/67/52/707006752.db2.gz IRMBFZAWWVVMAB-IRXDYDNUSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1nonc1CN[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999571865 707077482 /nfs/dbraw/zinc/07/74/82/707077482.db2.gz AYGIKJMGBJMPPT-RDJZCZTQSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999571865 707077486 /nfs/dbraw/zinc/07/74/86/707077486.db2.gz AYGIKJMGBJMPPT-RDJZCZTQSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999571865 707077490 /nfs/dbraw/zinc/07/74/90/707077490.db2.gz AYGIKJMGBJMPPT-RDJZCZTQSA-N 2 1 349.479 1.579 20 0 EDADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779263 707238981 /nfs/dbraw/zinc/23/89/81/707238981.db2.gz LUWNTRBZGOHWJL-XDNAFOTISA-N 2 1 337.508 1.534 20 0 EDADMP COC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779263 707238982 /nfs/dbraw/zinc/23/89/82/707238982.db2.gz LUWNTRBZGOHWJL-XDNAFOTISA-N 2 1 337.508 1.534 20 0 EDADMP COC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779263 707238983 /nfs/dbraw/zinc/23/89/83/707238983.db2.gz LUWNTRBZGOHWJL-XDNAFOTISA-N 2 1 337.508 1.534 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nccn3C)C[C@H]2CC1)[NH+](C)C ZINC000946784711 707313794 /nfs/dbraw/zinc/31/37/94/707313794.db2.gz PRQYKLASEXPMSM-BBWFWOEESA-N 2 1 347.507 1.431 20 0 EDADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279598 707347094 /nfs/dbraw/zinc/34/70/94/707347094.db2.gz VQHJGHAGZVPALW-NNVNDSJASA-N 2 1 349.519 1.819 20 0 EDADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033279598 707347097 /nfs/dbraw/zinc/34/70/97/707347097.db2.gz VQHJGHAGZVPALW-NNVNDSJASA-N 2 1 349.519 1.819 20 0 EDADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033279598 707347102 /nfs/dbraw/zinc/34/71/02/707347102.db2.gz VQHJGHAGZVPALW-NNVNDSJASA-N 2 1 349.519 1.819 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033279715 707347476 /nfs/dbraw/zinc/34/74/76/707347476.db2.gz WOGPIEXXGJISSS-NRGCRIOASA-N 2 1 347.503 1.573 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001033279715 707347480 /nfs/dbraw/zinc/34/74/80/707347480.db2.gz WOGPIEXXGJISSS-NRGCRIOASA-N 2 1 347.503 1.573 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001033279715 707347482 /nfs/dbraw/zinc/34/74/82/707347482.db2.gz WOGPIEXXGJISSS-NRGCRIOASA-N 2 1 347.503 1.573 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033296633 707407108 /nfs/dbraw/zinc/40/71/08/707407108.db2.gz WRIXCABRAGRZNL-ROUUACIJSA-N 2 1 345.491 1.327 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033296633 707407113 /nfs/dbraw/zinc/40/71/13/707407113.db2.gz WRIXCABRAGRZNL-ROUUACIJSA-N 2 1 345.491 1.327 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3CC)C2)n1 ZINC000999875833 707522197 /nfs/dbraw/zinc/52/21/97/707522197.db2.gz BGSYLUTVGJLNGW-YMAMQOFZSA-N 2 1 349.479 1.585 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3CC)C2)n1 ZINC000999875833 707522202 /nfs/dbraw/zinc/52/22/02/707522202.db2.gz BGSYLUTVGJLNGW-YMAMQOFZSA-N 2 1 349.479 1.585 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)co1 ZINC000999876519 707524009 /nfs/dbraw/zinc/52/40/09/707524009.db2.gz OFBDSJXUJLJITB-HNNXBMFYSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nncn3C)C2)C1 ZINC000999974928 707588728 /nfs/dbraw/zinc/58/87/28/707588728.db2.gz QBLMUKURJLPVFD-HZPDHXFCSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nncn3C)C2)C1 ZINC000999974928 707588731 /nfs/dbraw/zinc/58/87/31/707588731.db2.gz QBLMUKURJLPVFD-HZPDHXFCSA-N 2 1 348.495 1.018 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999993897 707671720 /nfs/dbraw/zinc/67/17/20/707671720.db2.gz WWIIEQNZAFCGFC-IRXDYDNUSA-N 2 1 348.495 1.422 20 0 EDADMP CC(C)[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999993897 707671722 /nfs/dbraw/zinc/67/17/22/707671722.db2.gz WWIIEQNZAFCGFC-IRXDYDNUSA-N 2 1 348.495 1.422 20 0 EDADMP CC(C)[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)nn2)C1 ZINC000999993897 707671726 /nfs/dbraw/zinc/67/17/26/707671726.db2.gz WWIIEQNZAFCGFC-IRXDYDNUSA-N 2 1 348.495 1.422 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921690444 707720327 /nfs/dbraw/zinc/72/03/27/707720327.db2.gz MPBQRVBRTZBYES-KRWDZBQOSA-N 2 1 333.480 1.360 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921690444 707720332 /nfs/dbraw/zinc/72/03/32/707720332.db2.gz MPBQRVBRTZBYES-KRWDZBQOSA-N 2 1 333.480 1.360 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033392174 707725378 /nfs/dbraw/zinc/72/53/78/707725378.db2.gz ZJDOXEULMXJSKX-QGZVFWFLSA-N 2 1 333.480 1.103 20 0 EDADMP Cc1nnc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)o1 ZINC001004976475 707810407 /nfs/dbraw/zinc/81/04/07/707810407.db2.gz GFWMRBOBAOKMRR-HIFRSBDPSA-N 2 1 347.463 1.333 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](CCC3CCOCC3)C2)C1 ZINC001033419555 707827606 /nfs/dbraw/zinc/82/76/06/707827606.db2.gz JYOUEWPWTCBXIF-WMZOPIPTSA-N 2 1 337.508 1.678 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CCC3CCOCC3)C2)C1 ZINC001033419555 707827610 /nfs/dbraw/zinc/82/76/10/707827610.db2.gz JYOUEWPWTCBXIF-WMZOPIPTSA-N 2 1 337.508 1.678 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CCC3CCOCC3)C2)C1 ZINC001033419555 707827614 /nfs/dbraw/zinc/82/76/14/707827614.db2.gz JYOUEWPWTCBXIF-WMZOPIPTSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033419745 707828402 /nfs/dbraw/zinc/82/84/02/707828402.db2.gz CHEDDNDKTCLFPH-OAHLLOKOSA-N 2 1 332.448 1.827 20 0 EDADMP CN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033419745 707828406 /nfs/dbraw/zinc/82/84/06/707828406.db2.gz CHEDDNDKTCLFPH-OAHLLOKOSA-N 2 1 332.448 1.827 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)sn1 ZINC001033422545 707837105 /nfs/dbraw/zinc/83/71/05/707837105.db2.gz HPVCQQMLIONKDC-GJZGRUSLSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)sn1 ZINC001033422545 707837109 /nfs/dbraw/zinc/83/71/09/707837109.db2.gz HPVCQQMLIONKDC-GJZGRUSLSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)sn1 ZINC001033422545 707837111 /nfs/dbraw/zinc/83/71/11/707837111.db2.gz HPVCQQMLIONKDC-GJZGRUSLSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)sn1 ZINC001033422545 707837112 /nfs/dbraw/zinc/83/71/12/707837112.db2.gz HPVCQQMLIONKDC-GJZGRUSLSA-N 2 1 336.505 1.969 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC001000203454 707846751 /nfs/dbraw/zinc/84/67/51/707846751.db2.gz WTSWHTKPJAENBK-HNNXBMFYSA-N 2 1 348.495 1.111 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC001000203454 707846755 /nfs/dbraw/zinc/84/67/55/707846755.db2.gz WTSWHTKPJAENBK-HNNXBMFYSA-N 2 1 348.495 1.111 20 0 EDADMP Cc1cnc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)nc1 ZINC001004996093 707887284 /nfs/dbraw/zinc/88/72/84/707887284.db2.gz ZDPZUYRMRVXSMN-SJORKVTESA-N 2 1 345.491 1.740 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)nc(C)[nH+]1 ZINC001060930203 707942287 /nfs/dbraw/zinc/94/22/87/707942287.db2.gz VZTZLLVOXNHXKD-HNNXBMFYSA-N 2 1 331.464 1.838 20 0 EDADMP C[C@H](c1cnccn1)[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475321 707965000 /nfs/dbraw/zinc/96/50/00/707965000.db2.gz OKIAUGPJFBSVDH-WBVHZDCISA-N 2 1 345.491 1.802 20 0 EDADMP C[C@H](c1cnccn1)[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475321 707965003 /nfs/dbraw/zinc/96/50/03/707965003.db2.gz OKIAUGPJFBSVDH-WBVHZDCISA-N 2 1 345.491 1.802 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCc2cccc(F)c2)C1 ZINC001032781405 707968467 /nfs/dbraw/zinc/96/84/67/707968467.db2.gz UJZVRHLVHQSGEU-WDSOQIARSA-N 2 1 345.462 1.995 20 0 EDADMP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)c(C)n1 ZINC001032781909 707971532 /nfs/dbraw/zinc/97/15/32/707971532.db2.gz NBDNQICHEBECKL-SQNIBIBYSA-N 2 1 328.460 1.435 20 0 EDADMP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)C2)c(C)n1 ZINC001032781909 707971535 /nfs/dbraw/zinc/97/15/35/707971535.db2.gz NBDNQICHEBECKL-SQNIBIBYSA-N 2 1 328.460 1.435 20 0 EDADMP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)c(C)n1 ZINC001032781909 707971536 /nfs/dbraw/zinc/97/15/36/707971536.db2.gz NBDNQICHEBECKL-SQNIBIBYSA-N 2 1 328.460 1.435 20 0 EDADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)c(C)n1 ZINC001032781909 707971539 /nfs/dbraw/zinc/97/15/39/707971539.db2.gz NBDNQICHEBECKL-SQNIBIBYSA-N 2 1 328.460 1.435 20 0 EDADMP COCc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)c1 ZINC001032783486 707976168 /nfs/dbraw/zinc/97/61/68/707976168.db2.gz BZLFTEGQZAPBJU-OALUTQOASA-N 2 1 343.471 1.714 20 0 EDADMP COCc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)c1 ZINC001032783486 707976170 /nfs/dbraw/zinc/97/61/70/707976170.db2.gz BZLFTEGQZAPBJU-OALUTQOASA-N 2 1 343.471 1.714 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCCO1 ZINC001032784427 707984260 /nfs/dbraw/zinc/98/42/60/707984260.db2.gz XFMQRQJCUSLSAH-YESZJQIVSA-N 2 1 332.448 1.436 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCCCO1 ZINC001032784427 707984262 /nfs/dbraw/zinc/98/42/62/707984262.db2.gz XFMQRQJCUSLSAH-YESZJQIVSA-N 2 1 332.448 1.436 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CCCCC1 ZINC001032784919 707988350 /nfs/dbraw/zinc/98/83/50/707988350.db2.gz PIWUFYAGSWTZNU-NEWSRXKRSA-N 2 1 347.503 1.740 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CCCCC1 ZINC001032784919 707988353 /nfs/dbraw/zinc/98/83/53/707988353.db2.gz PIWUFYAGSWTZNU-NEWSRXKRSA-N 2 1 347.503 1.740 20 0 EDADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c3c(nn2C)CCOC3)C[C@H](C)O1 ZINC000921758303 707988546 /nfs/dbraw/zinc/98/85/46/707988546.db2.gz CQGNTPMERDZRJM-GASCZTMLSA-N 2 1 336.480 1.472 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1)[NH+]1CCCC1 ZINC001032803820 708091545 /nfs/dbraw/zinc/09/15/45/708091545.db2.gz MLURSZWUYLGHJB-OKZBNKHCSA-N 2 1 345.491 1.289 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1)[NH+]1CCCC1 ZINC001032803820 708091548 /nfs/dbraw/zinc/09/15/48/708091548.db2.gz MLURSZWUYLGHJB-OKZBNKHCSA-N 2 1 345.491 1.289 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001005183452 708133927 /nfs/dbraw/zinc/13/39/27/708133927.db2.gz IPFJWCLRBPZCST-CABCVRRESA-N 2 1 345.434 1.428 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001033524265 708137859 /nfs/dbraw/zinc/13/78/59/708137859.db2.gz GHPMGPHZCZCCPR-KRWDZBQOSA-N 2 1 333.480 1.148 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001061012505 708173478 /nfs/dbraw/zinc/17/34/78/708173478.db2.gz HONXWXLXFWDGQO-FRFSOERESA-N 2 1 345.491 1.948 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001061012505 708173481 /nfs/dbraw/zinc/17/34/81/708173481.db2.gz HONXWXLXFWDGQO-FRFSOERESA-N 2 1 345.491 1.948 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2CCN(Cc3ccn(C)n3)CC2)CC[N@H+]1C ZINC001001761886 708285066 /nfs/dbraw/zinc/28/50/66/708285066.db2.gz QMCRNBQASJYHRD-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3ccn(C)n3)CC2)CC[N@@H+]1C ZINC001001761886 708285068 /nfs/dbraw/zinc/28/50/68/708285068.db2.gz QMCRNBQASJYHRD-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3ccn(C)n3)CC2)CC[N@H+]1C ZINC001001761886 708285071 /nfs/dbraw/zinc/28/50/71/708285071.db2.gz QMCRNBQASJYHRD-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033593853 708294556 /nfs/dbraw/zinc/29/45/56/708294556.db2.gz NEKULXPZKXFPEU-AWEZNQCLSA-N 2 1 327.419 1.660 20 0 EDADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033584085 708309390 /nfs/dbraw/zinc/30/93/90/708309390.db2.gz ZXYFZYVIUYGOKM-DZGCQCFKSA-N 2 1 329.435 1.906 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001033584085 708309395 /nfs/dbraw/zinc/30/93/95/708309395.db2.gz ZXYFZYVIUYGOKM-DZGCQCFKSA-N 2 1 329.435 1.906 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001033584085 708309400 /nfs/dbraw/zinc/30/94/00/708309400.db2.gz ZXYFZYVIUYGOKM-DZGCQCFKSA-N 2 1 329.435 1.906 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001824179 708326576 /nfs/dbraw/zinc/32/65/76/708326576.db2.gz DVIPCPSKWTZRKJ-PBHICJAKSA-N 2 1 345.491 1.311 20 0 EDADMP Cc1cc(CN2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)nn1C ZINC001001835486 708339706 /nfs/dbraw/zinc/33/97/06/708339706.db2.gz WXPOJPVWCXCJEN-KDOFPFPSSA-N 2 1 347.507 1.254 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)nn1C ZINC001001835486 708339709 /nfs/dbraw/zinc/33/97/09/708339709.db2.gz WXPOJPVWCXCJEN-KDOFPFPSSA-N 2 1 347.507 1.254 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)nn1C ZINC001001835486 708339711 /nfs/dbraw/zinc/33/97/11/708339711.db2.gz WXPOJPVWCXCJEN-KDOFPFPSSA-N 2 1 347.507 1.254 20 0 EDADMP CCn1ccnc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001835011 708361828 /nfs/dbraw/zinc/36/18/28/708361828.db2.gz ULKSOVAPRVHXFL-RDJZCZTQSA-N 2 1 347.507 1.429 20 0 EDADMP CCn1ccnc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001835011 708361830 /nfs/dbraw/zinc/36/18/30/708361830.db2.gz ULKSOVAPRVHXFL-RDJZCZTQSA-N 2 1 347.507 1.429 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033663891 708444624 /nfs/dbraw/zinc/44/46/24/708444624.db2.gz AJVRUSIFNSYVFK-GOSISDBHSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033663891 708444626 /nfs/dbraw/zinc/44/46/26/708444626.db2.gz AJVRUSIFNSYVFK-GOSISDBHSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c(C)n1 ZINC001033666566 708451975 /nfs/dbraw/zinc/45/19/75/708451975.db2.gz YPDCPDZVXPUPSL-QZTJIDSGSA-N 2 1 330.476 1.683 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001033666566 708451978 /nfs/dbraw/zinc/45/19/78/708451978.db2.gz YPDCPDZVXPUPSL-QZTJIDSGSA-N 2 1 330.476 1.683 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001033666566 708451981 /nfs/dbraw/zinc/45/19/81/708451981.db2.gz YPDCPDZVXPUPSL-QZTJIDSGSA-N 2 1 330.476 1.683 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCOc2ccccc2F)C1 ZINC001033659176 708470538 /nfs/dbraw/zinc/47/05/38/708470538.db2.gz BTVRPNAEZLZDSN-HZPDHXFCSA-N 2 1 349.450 1.689 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC001033659176 708470540 /nfs/dbraw/zinc/47/05/40/708470540.db2.gz BTVRPNAEZLZDSN-HZPDHXFCSA-N 2 1 349.450 1.689 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC001033659176 708470543 /nfs/dbraw/zinc/47/05/43/708470543.db2.gz BTVRPNAEZLZDSN-HZPDHXFCSA-N 2 1 349.450 1.689 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685361 708499563 /nfs/dbraw/zinc/49/95/63/708499563.db2.gz SNDUXTWGXFSFGT-QAPCUYQASA-N 2 1 333.476 1.929 20 0 EDADMP COc1cccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001002120051 708633536 /nfs/dbraw/zinc/63/35/36/708633536.db2.gz FAGHIKOLKZXSQD-GOSISDBHSA-N 2 1 345.487 1.975 20 0 EDADMP Cc1ncccc1C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002121141 708634921 /nfs/dbraw/zinc/63/49/21/708634921.db2.gz ORLQSCKXADZPRX-GOSISDBHSA-N 2 1 330.476 1.670 20 0 EDADMP CN(C)C(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000921861879 708705422 /nfs/dbraw/zinc/70/54/22/708705422.db2.gz ZYAZZZDIMCNHJC-RTBURBONSA-N 2 1 345.487 1.856 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001033830237 708851743 /nfs/dbraw/zinc/85/17/43/708851743.db2.gz GFPCPNCMSLXDCQ-QZTJIDSGSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001033830237 708851746 /nfs/dbraw/zinc/85/17/46/708851746.db2.gz GFPCPNCMSLXDCQ-QZTJIDSGSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033830626 708852581 /nfs/dbraw/zinc/85/25/81/708852581.db2.gz LPGRNMTXZLBQSY-QZTJIDSGSA-N 2 1 345.491 1.185 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033830626 708852584 /nfs/dbraw/zinc/85/25/84/708852584.db2.gz LPGRNMTXZLBQSY-QZTJIDSGSA-N 2 1 345.491 1.185 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033830968 708852860 /nfs/dbraw/zinc/85/28/60/708852860.db2.gz QRXVAIDNTKFKFC-PKOBYXMFSA-N 2 1 349.519 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033831135 708853436 /nfs/dbraw/zinc/85/34/36/708853436.db2.gz TUEOXZOHTSXDFU-RTBURBONSA-N 2 1 342.487 1.846 20 0 EDADMP CN(C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)C1CCN(Cc2ccon2)CC1 ZINC001005392121 708865568 /nfs/dbraw/zinc/86/55/68/708865568.db2.gz WUMQQEYXJYQCDL-MAUKXSAKSA-N 2 1 346.475 1.972 20 0 EDADMP CN(C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)C1CCN(Cc2ccon2)CC1 ZINC001005392122 708865818 /nfs/dbraw/zinc/86/58/18/708865818.db2.gz WUMQQEYXJYQCDL-QAPCUYQASA-N 2 1 346.475 1.972 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001033877276 708946737 /nfs/dbraw/zinc/94/67/37/708946737.db2.gz DNVJWDVSEQWMFS-MRXNPFEDSA-N 2 1 330.432 1.826 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)sc1C ZINC001002445027 708965698 /nfs/dbraw/zinc/96/56/98/708965698.db2.gz RSZBYGFIECRNGA-HNNXBMFYSA-N 2 1 336.505 1.935 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)sc1C ZINC001002445027 708965701 /nfs/dbraw/zinc/96/57/01/708965701.db2.gz RSZBYGFIECRNGA-HNNXBMFYSA-N 2 1 336.505 1.935 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001033878938 708966764 /nfs/dbraw/zinc/96/67/64/708966764.db2.gz NDHCKSZPSKZTEC-BBRMVZONSA-N 2 1 330.432 1.560 20 0 EDADMP CO[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1)C1CCCC1 ZINC001002472629 709005816 /nfs/dbraw/zinc/00/58/16/709005816.db2.gz CKMBEGFROQOMCG-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001033896589 709014488 /nfs/dbraw/zinc/01/44/88/709014488.db2.gz INITWESGDHGKSY-GDBMZVCRSA-N 2 1 343.431 1.185 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001033898750 709018143 /nfs/dbraw/zinc/01/81/43/709018143.db2.gz RZPTWDLYPYWAAS-BBRMVZONSA-N 2 1 343.431 1.005 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001033898750 709018145 /nfs/dbraw/zinc/01/81/45/709018145.db2.gz RZPTWDLYPYWAAS-BBRMVZONSA-N 2 1 343.431 1.005 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccnc2OC)C1 ZINC001034041388 709289826 /nfs/dbraw/zinc/28/98/26/709289826.db2.gz CUJPJWXRJCDAOQ-DLBZAZTESA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cccnc2OC)C1 ZINC001034041388 709289827 /nfs/dbraw/zinc/28/98/27/709289827.db2.gz CUJPJWXRJCDAOQ-DLBZAZTESA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cccnc2OC)C1 ZINC001034041388 709289829 /nfs/dbraw/zinc/28/98/29/709289829.db2.gz CUJPJWXRJCDAOQ-DLBZAZTESA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cccnc2OC)C1 ZINC001034041388 709289831 /nfs/dbraw/zinc/28/98/31/709289831.db2.gz CUJPJWXRJCDAOQ-DLBZAZTESA-N 2 1 346.475 1.465 20 0 EDADMP Cc1noc(CCC[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001034132762 709402912 /nfs/dbraw/zinc/40/29/12/709402912.db2.gz VBZAOFCMRCABNT-HOTGVXAUSA-N 2 1 349.479 1.376 20 0 EDADMP Cc1noc(CCC[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001034132762 709402913 /nfs/dbraw/zinc/40/29/13/709402913.db2.gz VBZAOFCMRCABNT-HOTGVXAUSA-N 2 1 349.479 1.376 20 0 EDADMP Cc1noc(CCC[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001034132762 709402914 /nfs/dbraw/zinc/40/29/14/709402914.db2.gz VBZAOFCMRCABNT-HOTGVXAUSA-N 2 1 349.479 1.376 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC(C)(C)C)C2)C1 ZINC001034148346 709419428 /nfs/dbraw/zinc/41/94/28/709419428.db2.gz IRYJTPYEXWWNQD-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC(C)(C)C)C2)C1 ZINC001034148346 709419429 /nfs/dbraw/zinc/41/94/29/709419429.db2.gz IRYJTPYEXWWNQD-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCC(C)(C)C)C2)C1 ZINC001034148346 709419431 /nfs/dbraw/zinc/41/94/31/709419431.db2.gz IRYJTPYEXWWNQD-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001034148346 709419433 /nfs/dbraw/zinc/41/94/33/709419433.db2.gz IRYJTPYEXWWNQD-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP COC(=O)COc1ccccc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000922026246 709452269 /nfs/dbraw/zinc/45/22/69/709452269.db2.gz SEXZWWGNRQOCPL-CQSZACIVSA-N 2 1 329.400 1.787 20 0 EDADMP Cn1cncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034206937 709553938 /nfs/dbraw/zinc/55/39/38/709553938.db2.gz HLIQMKISHDZJKH-WMZOPIPTSA-N 2 1 345.491 1.233 20 0 EDADMP Cn1cncc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034206937 709553942 /nfs/dbraw/zinc/55/39/42/709553942.db2.gz HLIQMKISHDZJKH-WMZOPIPTSA-N 2 1 345.491 1.233 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034239729 709622549 /nfs/dbraw/zinc/62/25/49/709622549.db2.gz LUQKZMCLFWJANO-MSOLQXFVSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034239729 709622551 /nfs/dbraw/zinc/62/25/51/709622551.db2.gz LUQKZMCLFWJANO-MSOLQXFVSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cnn(C)c2)C1 ZINC001034239729 709622554 /nfs/dbraw/zinc/62/25/54/709622554.db2.gz LUQKZMCLFWJANO-MSOLQXFVSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001034239729 709622555 /nfs/dbraw/zinc/62/25/55/709622555.db2.gz LUQKZMCLFWJANO-MSOLQXFVSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001002954648 709655293 /nfs/dbraw/zinc/65/52/93/709655293.db2.gz HOUAJUBSVPURCP-QGZVFWFLSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001034310017 709753163 /nfs/dbraw/zinc/75/31/63/709753163.db2.gz RVIIONMOMZHRNL-ROUUACIJSA-N 2 1 348.491 1.979 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001034310017 709753164 /nfs/dbraw/zinc/75/31/64/709753164.db2.gz RVIIONMOMZHRNL-ROUUACIJSA-N 2 1 348.491 1.979 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001003011151 709782895 /nfs/dbraw/zinc/78/28/95/709782895.db2.gz MOKCYYMXCYXVJN-SFHVURJKSA-N 2 1 347.507 1.727 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1)[NH+]1CCCCCC1 ZINC001034439635 710015766 /nfs/dbraw/zinc/01/57/66/710015766.db2.gz WJCMYLSJNNGFQG-IAGOWNOFSA-N 2 1 325.497 1.604 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001003144139 710040176 /nfs/dbraw/zinc/04/01/76/710040176.db2.gz INAFVBUYJXVWGO-SJLPKXTDSA-N 2 1 345.491 1.518 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001003144139 710040178 /nfs/dbraw/zinc/04/01/78/710040178.db2.gz INAFVBUYJXVWGO-SJLPKXTDSA-N 2 1 345.491 1.518 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCCO)C1 ZINC001034482121 710106293 /nfs/dbraw/zinc/10/62/93/710106293.db2.gz ZTNPYSMTDZMBKF-QZTJIDSGSA-N 2 1 339.524 1.994 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1 ZINC001034482121 710106294 /nfs/dbraw/zinc/10/62/94/710106294.db2.gz ZTNPYSMTDZMBKF-QZTJIDSGSA-N 2 1 339.524 1.994 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1 ZINC001034482121 710106295 /nfs/dbraw/zinc/10/62/95/710106295.db2.gz ZTNPYSMTDZMBKF-QZTJIDSGSA-N 2 1 339.524 1.994 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034490062 710108411 /nfs/dbraw/zinc/10/84/11/710108411.db2.gz IUFOYIPNODTPRW-SJLPKXTDSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034490062 710108414 /nfs/dbraw/zinc/10/84/14/710108414.db2.gz IUFOYIPNODTPRW-SJLPKXTDSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490062 710108416 /nfs/dbraw/zinc/10/84/16/710108416.db2.gz IUFOYIPNODTPRW-SJLPKXTDSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490062 710108419 /nfs/dbraw/zinc/10/84/19/710108419.db2.gz IUFOYIPNODTPRW-SJLPKXTDSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC001003319946 710248330 /nfs/dbraw/zinc/24/83/30/710248330.db2.gz YXCLOFKAIUITAM-YJBOKZPZSA-N 2 1 332.448 1.199 20 0 EDADMP CC[C@@H](F)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003331600 710256079 /nfs/dbraw/zinc/25/60/79/710256079.db2.gz HNXGLCIIXOZKAH-DYDBFVOFSA-N 2 1 339.455 1.178 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1)c1ncccn1 ZINC001034607885 710264491 /nfs/dbraw/zinc/26/44/91/710264491.db2.gz UTSQPDBUKHUDCI-YHUYYLMFSA-N 2 1 331.464 1.649 20 0 EDADMP CC1CC(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CC2)C1 ZINC001003330775 710265054 /nfs/dbraw/zinc/26/50/54/710265054.db2.gz CSIXTUXYSYPHJS-LMFLDHGRSA-N 2 1 347.503 1.476 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001034611143 710285455 /nfs/dbraw/zinc/28/54/55/710285455.db2.gz IEQTWXQJKUVYPP-IIAWOOMASA-N 2 1 334.464 1.848 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001034613285 710288369 /nfs/dbraw/zinc/28/83/69/710288369.db2.gz YQRFTNIBBSFUAP-BZUAXINKSA-N 2 1 348.495 1.218 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC001034617954 710292889 /nfs/dbraw/zinc/29/28/89/710292889.db2.gz VURULQNMWHDPFT-KKUMJFAQSA-N 2 1 345.434 1.379 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC001034617954 710292892 /nfs/dbraw/zinc/29/28/92/710292892.db2.gz VURULQNMWHDPFT-KKUMJFAQSA-N 2 1 345.434 1.379 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC001034608280 710300133 /nfs/dbraw/zinc/30/01/33/710300133.db2.gz YVHPPTCIECJPPI-MPGHIAIKSA-N 2 1 345.491 1.441 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034647626 710324358 /nfs/dbraw/zinc/32/43/58/710324358.db2.gz NZGVCXYYOUDUIN-QBPKDAKJSA-N 2 1 347.507 1.760 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034648083 710324870 /nfs/dbraw/zinc/32/48/70/710324870.db2.gz XRYALPXBAJSFRA-BASLNEPJSA-N 2 1 334.464 1.840 20 0 EDADMP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001003482675 710376973 /nfs/dbraw/zinc/37/69/73/710376973.db2.gz BZBCOSCVWUMRIX-NVXWUHKLSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001003482675 710376974 /nfs/dbraw/zinc/37/69/74/710376974.db2.gz BZBCOSCVWUMRIX-NVXWUHKLSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3cncn3C)CC2)C1 ZINC001003482994 710377585 /nfs/dbraw/zinc/37/75/85/710377585.db2.gz MPMWCKJSLAYQSD-INIZCTEOSA-N 2 1 347.507 1.623 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3cncn3C)CC2)C1 ZINC001003482994 710377587 /nfs/dbraw/zinc/37/75/87/710377587.db2.gz MPMWCKJSLAYQSD-INIZCTEOSA-N 2 1 347.507 1.623 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000922189693 710391235 /nfs/dbraw/zinc/39/12/35/710391235.db2.gz BOYYAMPDQAWUDN-QZTJIDSGSA-N 2 1 346.475 1.281 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000922189693 710391237 /nfs/dbraw/zinc/39/12/37/710391237.db2.gz BOYYAMPDQAWUDN-QZTJIDSGSA-N 2 1 346.475 1.281 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000922189693 710391239 /nfs/dbraw/zinc/39/12/39/710391239.db2.gz BOYYAMPDQAWUDN-QZTJIDSGSA-N 2 1 346.475 1.281 20 0 EDADMP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001003628678 710458727 /nfs/dbraw/zinc/45/87/27/710458727.db2.gz SRXWFPUAFQSQFW-RDTXWAMCSA-N 2 1 343.487 1.814 20 0 EDADMP CC[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1)OC ZINC001003629553 710459335 /nfs/dbraw/zinc/45/93/35/710459335.db2.gz CBRBXMFULKUBQO-QAPCUYQASA-N 2 1 348.491 1.760 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)sn1 ZINC001003629817 710459418 /nfs/dbraw/zinc/45/94/18/710459418.db2.gz FOXWINJSPGGKSS-CYBMUJFWSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)sn1 ZINC001003629817 710459419 /nfs/dbraw/zinc/45/94/19/710459419.db2.gz FOXWINJSPGGKSS-CYBMUJFWSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)c(C)n1 ZINC001003636122 710463035 /nfs/dbraw/zinc/46/30/35/710463035.db2.gz STQYNFLJWCZNHV-AUUYWEPGSA-N 2 1 344.503 1.977 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003637177 710466771 /nfs/dbraw/zinc/46/67/71/710466771.db2.gz ZCEHRVAUAULVTQ-YOEHRIQHSA-N 2 1 346.475 1.369 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003637177 710466772 /nfs/dbraw/zinc/46/67/72/710466772.db2.gz ZCEHRVAUAULVTQ-YOEHRIQHSA-N 2 1 346.475 1.369 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](CC)C(N)=O)CC1 ZINC001034659662 710589309 /nfs/dbraw/zinc/58/93/09/710589309.db2.gz WWBDWUHAWGRBCP-KLHDSHLOSA-N 2 1 338.496 1.142 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)nn1C ZINC001034674009 710638029 /nfs/dbraw/zinc/63/80/29/710638029.db2.gz JIXKSMWWSYTJHH-JFIYKMOQSA-N 2 1 347.507 1.730 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[NH+]3CCC(C)CC3)CC2)ncn1 ZINC001003841145 710674180 /nfs/dbraw/zinc/67/41/80/710674180.db2.gz IIBBOJBFYQONFT-UHFFFAOYSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001034733797 710914333 /nfs/dbraw/zinc/91/43/33/710914333.db2.gz DCCYUPPRBMPNGG-BPUTZDHNSA-N 2 1 334.464 1.842 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001034736579 710924013 /nfs/dbraw/zinc/92/40/13/710924013.db2.gz XDTXZGLATLEKIN-JYJNAYRXSA-N 2 1 348.495 1.299 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032958947 710981541 /nfs/dbraw/zinc/98/15/41/710981541.db2.gz CKBINHXGGNABLW-CABCVRRESA-N 2 1 336.505 1.621 20 0 EDADMP Cc1ncsc1CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032958947 710981545 /nfs/dbraw/zinc/98/15/45/710981545.db2.gz CKBINHXGGNABLW-CABCVRRESA-N 2 1 336.505 1.621 20 0 EDADMP Cc1ncsc1CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032958947 710981550 /nfs/dbraw/zinc/98/15/50/710981550.db2.gz CKBINHXGGNABLW-CABCVRRESA-N 2 1 336.505 1.621 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC001034776697 711054101 /nfs/dbraw/zinc/05/41/01/711054101.db2.gz XUUHBPSFYFQHIM-TVFCKZIOSA-N 2 1 337.508 1.914 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000922335614 711086319 /nfs/dbraw/zinc/08/63/19/711086319.db2.gz SQINCYSHSFYSGB-MJGOQNOKSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000922335614 711086320 /nfs/dbraw/zinc/08/63/20/711086320.db2.gz SQINCYSHSFYSGB-MJGOQNOKSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000922335614 711086322 /nfs/dbraw/zinc/08/63/22/711086322.db2.gz SQINCYSHSFYSGB-MJGOQNOKSA-N 2 1 330.476 1.902 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034790942 711103671 /nfs/dbraw/zinc/10/36/71/711103671.db2.gz BMUUKMLHHMBXJY-KZNAEPCWSA-N 2 1 330.476 1.859 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncn2C)CC1 ZINC001034797033 711130097 /nfs/dbraw/zinc/13/00/97/711130097.db2.gz UFMQDMGPVVVBKR-LDKKBFSKSA-N 2 1 348.495 1.205 20 0 EDADMP CN(C)c1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001034881287 711281473 /nfs/dbraw/zinc/28/14/73/711281473.db2.gz GQFFYVPFIWKWKT-MJGOQNOKSA-N 2 1 344.503 1.927 20 0 EDADMP CC(C)Cn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001034882083 711283164 /nfs/dbraw/zinc/28/31/64/711283164.db2.gz RYYCUTIFXJVWQV-CVEARBPZSA-N 2 1 348.495 1.109 20 0 EDADMP CC(C)Cn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001034882083 711283166 /nfs/dbraw/zinc/28/31/66/711283166.db2.gz RYYCUTIFXJVWQV-CVEARBPZSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1nsc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001034883357 711285785 /nfs/dbraw/zinc/28/57/85/711285785.db2.gz RLYMPIMDSKHCMP-ZBFHGGJFSA-N 2 1 336.505 1.935 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001034957951 711430684 /nfs/dbraw/zinc/43/06/84/711430684.db2.gz QUACDUZVCUUKEK-MRXNPFEDSA-N 2 1 348.495 1.171 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001034957951 711430686 /nfs/dbraw/zinc/43/06/86/711430686.db2.gz QUACDUZVCUUKEK-MRXNPFEDSA-N 2 1 348.495 1.171 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001034958488 711432422 /nfs/dbraw/zinc/43/24/22/711432422.db2.gz JNOKVASRSWDVKD-HZPDHXFCSA-N 2 1 335.452 1.413 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001034958488 711432423 /nfs/dbraw/zinc/43/24/23/711432423.db2.gz JNOKVASRSWDVKD-HZPDHXFCSA-N 2 1 335.452 1.413 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(F)cn2)CC[N@H+]1C ZINC001034939829 711442708 /nfs/dbraw/zinc/44/27/08/711442708.db2.gz NNLYFLSLPMFWOL-KBRIMQKVSA-N 2 1 334.439 1.642 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(Cl)n1C)C2 ZINC000922391160 711455522 /nfs/dbraw/zinc/45/55/22/711455522.db2.gz UELMTFOCULBYPR-KQTLUZQSSA-N 2 1 326.872 1.643 20 0 EDADMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncnn3C(C)C)C2)[C@@H]1C(C)C ZINC000922392217 711457285 /nfs/dbraw/zinc/45/72/85/711457285.db2.gz FFOYUFXRVMXUSY-LMSBXDPUSA-N 2 1 335.496 1.818 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncnn3C(C)C)C2)[C@@H]1C(C)C ZINC000922392217 711457287 /nfs/dbraw/zinc/45/72/87/711457287.db2.gz FFOYUFXRVMXUSY-LMSBXDPUSA-N 2 1 335.496 1.818 20 0 EDADMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3nccnc3OC)C2)[C@@H]1C(C)C ZINC000922392689 711457987 /nfs/dbraw/zinc/45/79/87/711457987.db2.gz GDAJCEFANPXHFL-NYCLONFESA-N 2 1 334.464 1.445 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3nccnc3OC)C2)[C@@H]1C(C)C ZINC000922392689 711457989 /nfs/dbraw/zinc/45/79/89/711457989.db2.gz GDAJCEFANPXHFL-NYCLONFESA-N 2 1 334.464 1.445 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc4n(n3)CCC4)C2)[C@@H]1C(C)C ZINC000922393910 711459480 /nfs/dbraw/zinc/45/94/80/711459480.db2.gz LPIYRMQPCPSZOO-AKHDSKFASA-N 2 1 332.492 1.789 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(OC)n3)C2)[C@@H]1C(C)C ZINC000922395580 711469275 /nfs/dbraw/zinc/46/92/75/711469275.db2.gz UAQIZZKNJMXOLM-XLMAVXFVSA-N 2 1 334.464 1.445 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033125573 711875949 /nfs/dbraw/zinc/87/59/49/711875949.db2.gz FQGSGZYJTYYFRC-QZTJIDSGSA-N 2 1 347.507 1.370 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033125573 711875950 /nfs/dbraw/zinc/87/59/50/711875950.db2.gz FQGSGZYJTYYFRC-QZTJIDSGSA-N 2 1 347.507 1.370 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033125573 711875951 /nfs/dbraw/zinc/87/59/51/711875951.db2.gz FQGSGZYJTYYFRC-QZTJIDSGSA-N 2 1 347.507 1.370 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033127299 711877450 /nfs/dbraw/zinc/87/74/50/711877450.db2.gz UOEQEAWGHQOGJM-MSOLQXFVSA-N 2 1 347.507 1.370 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001033127299 711877453 /nfs/dbraw/zinc/87/74/53/711877453.db2.gz UOEQEAWGHQOGJM-MSOLQXFVSA-N 2 1 347.507 1.370 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001033127299 711877456 /nfs/dbraw/zinc/87/74/56/711877456.db2.gz UOEQEAWGHQOGJM-MSOLQXFVSA-N 2 1 347.507 1.370 20 0 EDADMP COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623780 711925340 /nfs/dbraw/zinc/92/53/40/711925340.db2.gz QTZMUTARBKUDGH-NRSFXHEJSA-N 2 1 337.508 1.532 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)on1 ZINC001033141339 711944292 /nfs/dbraw/zinc/94/42/92/711944292.db2.gz DNPFJXURZBTKPY-DLBZAZTESA-N 2 1 348.491 1.994 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)on1 ZINC001033141339 711944294 /nfs/dbraw/zinc/94/42/94/711944294.db2.gz DNPFJXURZBTKPY-DLBZAZTESA-N 2 1 348.491 1.994 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)on1 ZINC001033141339 711944295 /nfs/dbraw/zinc/94/42/95/711944295.db2.gz DNPFJXURZBTKPY-DLBZAZTESA-N 2 1 348.491 1.994 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)on1 ZINC001033141339 711944297 /nfs/dbraw/zinc/94/42/97/711944297.db2.gz DNPFJXURZBTKPY-DLBZAZTESA-N 2 1 348.491 1.994 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]2CC1)[NH+](C)C ZINC000946642644 712128635 /nfs/dbraw/zinc/12/86/35/712128635.db2.gz OJMHKFRLAZLCCP-IXDOHACOSA-N 2 1 348.491 1.994 20 0 EDADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946663033 712292328 /nfs/dbraw/zinc/29/23/28/712292328.db2.gz XVNPAZBSPSLFNX-OKZBNKHCSA-N 2 1 349.519 1.820 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000557670598 306232817 /nfs/dbraw/zinc/23/28/17/306232817.db2.gz XFYCRBSYTUWQDO-WMZOPIPTSA-N 2 1 330.476 1.704 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000557670598 306232818 /nfs/dbraw/zinc/23/28/18/306232818.db2.gz XFYCRBSYTUWQDO-WMZOPIPTSA-N 2 1 330.476 1.704 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000557670598 306232819 /nfs/dbraw/zinc/23/28/19/306232819.db2.gz XFYCRBSYTUWQDO-WMZOPIPTSA-N 2 1 330.476 1.704 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000105082625 282173656 /nfs/dbraw/zinc/17/36/56/282173656.db2.gz KWMJHUUOBFCOBV-GOSISDBHSA-N 2 1 330.476 1.649 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C3CC[NH+](C)CC3)c2)CCO1 ZINC000174763581 231302977 /nfs/dbraw/zinc/30/29/77/231302977.db2.gz TWNSHGUWJXPYBZ-MRXNPFEDSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C3CC[NH+](C)CC3)c2)CCO1 ZINC000174763581 231302980 /nfs/dbraw/zinc/30/29/80/231302980.db2.gz TWNSHGUWJXPYBZ-MRXNPFEDSA-N 2 1 345.487 1.865 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000412081810 303965757 /nfs/dbraw/zinc/96/57/57/303965757.db2.gz RTXDONCHWRIICW-CABCVRRESA-N 2 1 325.497 1.722 20 0 EDADMP C[NH+](C)[C@@]1(C(=O)NC2CC[NH+](C3CC3)CC2)CCOc2ccccc21 ZINC000363499045 282228916 /nfs/dbraw/zinc/22/89/16/282228916.db2.gz MEDYYPULPMMARH-FQEVSTJZSA-N 2 1 343.471 1.969 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH+]1CCOCC1 ZINC000377096401 282235752 /nfs/dbraw/zinc/23/57/52/282235752.db2.gz AKFFHGFHDKHZDR-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000178672526 232364093 /nfs/dbraw/zinc/36/40/93/232364093.db2.gz XFRSQIZOXVBLHQ-JKSUJKDBSA-N 2 1 333.476 1.941 20 0 EDADMP CC(C)[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000101977874 219178080 /nfs/dbraw/zinc/17/80/80/219178080.db2.gz YJOGLKZRDUNIMC-GASCZTMLSA-N 2 1 328.501 1.514 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000101977874 219178083 /nfs/dbraw/zinc/17/80/83/219178083.db2.gz YJOGLKZRDUNIMC-GASCZTMLSA-N 2 1 328.501 1.514 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000101977874 219178084 /nfs/dbraw/zinc/17/80/84/219178084.db2.gz YJOGLKZRDUNIMC-GASCZTMLSA-N 2 1 328.501 1.514 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000101977874 219178087 /nfs/dbraw/zinc/17/80/87/219178087.db2.gz YJOGLKZRDUNIMC-GASCZTMLSA-N 2 1 328.501 1.514 20 0 EDADMP CC[N@@H+](CCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C(C)C ZINC000102479756 219206617 /nfs/dbraw/zinc/20/66/17/219206617.db2.gz HQXSSYGYGJNFJU-UHFFFAOYSA-N 2 1 346.519 1.894 20 0 EDADMP CC[N@H+](CCNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C(C)C ZINC000102479756 219206619 /nfs/dbraw/zinc/20/66/19/219206619.db2.gz HQXSSYGYGJNFJU-UHFFFAOYSA-N 2 1 346.519 1.894 20 0 EDADMP CC[N@@H+](CCNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C(C)C ZINC000102479756 219206620 /nfs/dbraw/zinc/20/66/20/219206620.db2.gz HQXSSYGYGJNFJU-UHFFFAOYSA-N 2 1 346.519 1.894 20 0 EDADMP C[NH+](C)CCCCC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000560696837 306277648 /nfs/dbraw/zinc/27/76/48/306277648.db2.gz OCYXONMCXZABAG-KRWDZBQOSA-N 2 1 346.475 1.807 20 0 EDADMP C[NH+](C)CCCCC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000560696837 306277649 /nfs/dbraw/zinc/27/76/49/306277649.db2.gz OCYXONMCXZABAG-KRWDZBQOSA-N 2 1 346.475 1.807 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCO[C@H](Cc3ccccc3)C2)C1 ZINC000560961012 306281236 /nfs/dbraw/zinc/28/12/36/306281236.db2.gz DXIUXGFCECHVIA-QZTJIDSGSA-N 2 1 331.460 1.127 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000333455123 539630815 /nfs/dbraw/zinc/63/08/15/539630815.db2.gz YCZWSAWQPISMFM-OWCLPIDISA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000333455123 539630820 /nfs/dbraw/zinc/63/08/20/539630820.db2.gz YCZWSAWQPISMFM-OWCLPIDISA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000561202401 306284523 /nfs/dbraw/zinc/28/45/23/306284523.db2.gz AFNCIGFJQYFSSL-FUHWJXTLSA-N 2 1 337.508 1.963 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000343014474 539776420 /nfs/dbraw/zinc/77/64/20/539776420.db2.gz OPXJIMRVEBXEJQ-JKSUJKDBSA-N 2 1 340.512 1.166 20 0 EDADMP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)c1 ZINC000152560099 539820391 /nfs/dbraw/zinc/82/03/91/539820391.db2.gz CHJFRCWCZCOUBB-YJBOKZPZSA-N 2 1 348.491 1.657 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)c1 ZINC000152560099 539820394 /nfs/dbraw/zinc/82/03/94/539820394.db2.gz CHJFRCWCZCOUBB-YJBOKZPZSA-N 2 1 348.491 1.657 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000152560099 539820395 /nfs/dbraw/zinc/82/03/95/539820395.db2.gz CHJFRCWCZCOUBB-YJBOKZPZSA-N 2 1 348.491 1.657 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000152560099 539820397 /nfs/dbraw/zinc/82/03/97/539820397.db2.gz CHJFRCWCZCOUBB-YJBOKZPZSA-N 2 1 348.491 1.657 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352886993 539928248 /nfs/dbraw/zinc/92/82/48/539928248.db2.gz IOVQCZGMLKVOCD-KSZLIROESA-N 2 1 327.513 1.264 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352886993 539928256 /nfs/dbraw/zinc/92/82/56/539928256.db2.gz IOVQCZGMLKVOCD-KSZLIROESA-N 2 1 327.513 1.264 20 0 EDADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1O ZINC000353412683 539933023 /nfs/dbraw/zinc/93/30/23/539933023.db2.gz MQLVPMBGTIIKOL-CQSZACIVSA-N 2 1 349.475 1.994 20 0 EDADMP CS(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563119892 306319235 /nfs/dbraw/zinc/31/92/35/306319235.db2.gz LLOMPBVFTZVVJO-MRXNPFEDSA-N 2 1 337.489 1.322 20 0 EDADMP CS(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563119892 306319236 /nfs/dbraw/zinc/31/92/36/306319236.db2.gz LLOMPBVFTZVVJO-MRXNPFEDSA-N 2 1 337.489 1.322 20 0 EDADMP C[C@H](CNC(=O)NCc1cncn1C)[N@@H+]1CCc2sccc2C1 ZINC000290731090 540089614 /nfs/dbraw/zinc/08/96/14/540089614.db2.gz QNMMRLIEELTRDR-GFCCVEGCSA-N 2 1 333.461 1.728 20 0 EDADMP C[C@H](CNC(=O)NCc1cncn1C)[N@H+]1CCc2sccc2C1 ZINC000290731090 540089615 /nfs/dbraw/zinc/08/96/15/540089615.db2.gz QNMMRLIEELTRDR-GFCCVEGCSA-N 2 1 333.461 1.728 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(CC[NH3+])CCO)CC[N@H+]1Cc1ccccc1 ZINC000417828691 291071598 /nfs/dbraw/zinc/07/15/98/291071598.db2.gz FUURKCBQMCZMJC-RDJZCZTQSA-N 2 1 334.464 1.002 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(S(C)(=O)=O)CC2)[C@H]2CCC[C@H]21 ZINC000367638874 283135038 /nfs/dbraw/zinc/13/50/38/283135038.db2.gz RKPKODYERAUXSM-OWCLPIDISA-N 2 1 329.510 1.120 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000174663482 283171902 /nfs/dbraw/zinc/17/19/02/283171902.db2.gz UNDLOWUGCMVKDI-IXDOHACOSA-N 2 1 327.513 1.968 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000174663482 283171903 /nfs/dbraw/zinc/17/19/03/283171903.db2.gz UNDLOWUGCMVKDI-IXDOHACOSA-N 2 1 327.513 1.968 20 0 EDADMP CCC[NH+](CC)CCNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000174663482 283171904 /nfs/dbraw/zinc/17/19/04/283171904.db2.gz UNDLOWUGCMVKDI-IXDOHACOSA-N 2 1 327.513 1.968 20 0 EDADMP CCC[NH+](CC)CCNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000174663482 283171905 /nfs/dbraw/zinc/17/19/05/283171905.db2.gz UNDLOWUGCMVKDI-IXDOHACOSA-N 2 1 327.513 1.968 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2C(=O)CCC2=O)cc1 ZINC000089684267 138274836 /nfs/dbraw/zinc/27/48/36/138274836.db2.gz FJFWIROYYHCTDQ-ZDUSSCGKSA-N 2 1 326.400 1.980 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000090073537 138277594 /nfs/dbraw/zinc/27/75/94/138277594.db2.gz VUMXGDSNYKUINL-BRWVUGGUSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000090073537 138277595 /nfs/dbraw/zinc/27/75/95/138277595.db2.gz VUMXGDSNYKUINL-BRWVUGGUSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090073537 138277596 /nfs/dbraw/zinc/27/75/96/138277596.db2.gz VUMXGDSNYKUINL-BRWVUGGUSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090073537 138277597 /nfs/dbraw/zinc/27/75/97/138277597.db2.gz VUMXGDSNYKUINL-BRWVUGGUSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090523446 138279425 /nfs/dbraw/zinc/27/94/25/138279425.db2.gz GCVSQEIGPYGIDD-ZACQAIPSSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090523446 138279426 /nfs/dbraw/zinc/27/94/26/138279426.db2.gz GCVSQEIGPYGIDD-ZACQAIPSSA-N 2 1 338.496 1.413 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H](C3CC3)[NH+](C)C)cc2)CC1 ZINC000097126716 138296364 /nfs/dbraw/zinc/29/63/64/138296364.db2.gz IDSQXKWODXGUDZ-IBGZPJMESA-N 2 1 344.503 1.504 20 0 EDADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000097257303 138296699 /nfs/dbraw/zinc/29/66/99/138296699.db2.gz DFJQZANZCQUMJY-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000097257303 138296700 /nfs/dbraw/zinc/29/67/00/138296700.db2.gz DFJQZANZCQUMJY-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000563799016 306347493 /nfs/dbraw/zinc/34/74/93/306347493.db2.gz IIOADASQUPPADO-BRWVUGGUSA-N 2 1 338.496 1.128 20 0 EDADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000564645145 306361757 /nfs/dbraw/zinc/36/17/57/306361757.db2.gz DYPMTMYCMNWBRZ-CABCVRRESA-N 2 1 332.448 1.969 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000564645145 306361758 /nfs/dbraw/zinc/36/17/58/306361758.db2.gz DYPMTMYCMNWBRZ-CABCVRRESA-N 2 1 332.448 1.969 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000449097266 305306337 /nfs/dbraw/zinc/30/63/37/305306337.db2.gz CRFNRXJITHKPGD-QQFBHYJXSA-N 2 1 325.497 1.900 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564937723 306370548 /nfs/dbraw/zinc/37/05/48/306370548.db2.gz MQVWPKHVARDTDE-YHUYYLMFSA-N 2 1 340.512 1.643 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000366488976 296018430 /nfs/dbraw/zinc/01/84/30/296018430.db2.gz VRFZMBMKLINROO-MJGOQNOKSA-N 2 1 349.519 1.964 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CC[C@@H](C)O3)CC2)CC1 ZINC000565210330 306378564 /nfs/dbraw/zinc/37/85/64/306378564.db2.gz WJCVJXONXBUGJZ-CRAIPNDOSA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CC[C@H](C)O3)CC2)CC1 ZINC000565210331 306378610 /nfs/dbraw/zinc/37/86/10/306378610.db2.gz WJCVJXONXBUGJZ-MAUKXSAKSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000333891928 296025198 /nfs/dbraw/zinc/02/51/98/296025198.db2.gz HDLHSQREJDONTK-HZPDHXFCSA-N 2 1 338.496 1.400 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@H](C[NH3+])C3)c2C1 ZINC000565645776 306388737 /nfs/dbraw/zinc/38/87/37/306388737.db2.gz DFVLZTIPYRPKNS-CQSZACIVSA-N 2 1 344.459 1.548 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@H](C[NH3+])C3)c2C1 ZINC000565645776 306388738 /nfs/dbraw/zinc/38/87/38/306388738.db2.gz DFVLZTIPYRPKNS-CQSZACIVSA-N 2 1 344.459 1.548 20 0 EDADMP COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000415116674 304161356 /nfs/dbraw/zinc/16/13/56/304161356.db2.gz UZDDPANDWWPBEN-KRWDZBQOSA-N 2 1 331.460 1.570 20 0 EDADMP Cn1cc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(C(C)(C)C)n1 ZINC000415143794 304164490 /nfs/dbraw/zinc/16/44/90/304164490.db2.gz UAKJUUAUUXKMLS-CVEARBPZSA-N 2 1 332.492 1.918 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000236747723 139030183 /nfs/dbraw/zinc/03/01/83/139030183.db2.gz PMQPJXBBZKSCPT-KRWDZBQOSA-N 2 1 346.475 1.315 20 0 EDADMP CCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000236946418 139035791 /nfs/dbraw/zinc/03/57/91/139035791.db2.gz LVCDIUMYHFRQSO-SJORKVTESA-N 2 1 346.475 1.919 20 0 EDADMP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)CC1CCC1 ZINC000111298445 220135556 /nfs/dbraw/zinc/13/55/56/220135556.db2.gz HBRZCCWVKQKMEK-UHFFFAOYSA-N 2 1 337.508 1.870 20 0 EDADMP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)CC1CCC1 ZINC000111298445 220135559 /nfs/dbraw/zinc/13/55/59/220135559.db2.gz HBRZCCWVKQKMEK-UHFFFAOYSA-N 2 1 337.508 1.870 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000415224705 304176111 /nfs/dbraw/zinc/17/61/11/304176111.db2.gz BFRITQXXOYQJFS-CQSZACIVSA-N 2 1 334.464 1.580 20 0 EDADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000245453192 139075503 /nfs/dbraw/zinc/07/55/03/139075503.db2.gz FIVLVUQEODESKT-VQIMIIECSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000245453192 139075504 /nfs/dbraw/zinc/07/55/04/139075504.db2.gz FIVLVUQEODESKT-VQIMIIECSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245453192 139075505 /nfs/dbraw/zinc/07/55/05/139075505.db2.gz FIVLVUQEODESKT-VQIMIIECSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245453192 139075506 /nfs/dbraw/zinc/07/55/06/139075506.db2.gz FIVLVUQEODESKT-VQIMIIECSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000567820092 306464300 /nfs/dbraw/zinc/46/43/00/306464300.db2.gz FSUUCUBAXHBRJT-GJZGRUSLSA-N 2 1 334.464 1.444 20 0 EDADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000567822537 306464602 /nfs/dbraw/zinc/46/46/02/306464602.db2.gz AOIIFDMEWRIEAX-GUDVDZBRSA-N 2 1 343.471 1.633 20 0 EDADMP C[C@@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000246115232 139095351 /nfs/dbraw/zinc/09/53/51/139095351.db2.gz QVBVPURGCREHNW-AOIWGVFYSA-N 2 1 344.503 1.402 20 0 EDADMP C[C@@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000246115232 139095352 /nfs/dbraw/zinc/09/53/52/139095352.db2.gz QVBVPURGCREHNW-AOIWGVFYSA-N 2 1 344.503 1.402 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000246264290 139101666 /nfs/dbraw/zinc/10/16/66/139101666.db2.gz LIKPISLZKPYKPI-LZLYRXPVSA-N 2 1 332.492 1.687 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+]C3)c2)CCO1 ZINC000246278997 139102088 /nfs/dbraw/zinc/10/20/88/139102088.db2.gz MJTZILVADXOBJK-QAPCUYQASA-N 2 1 331.460 1.523 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+]C3)c2)CCO1 ZINC000246278997 139102089 /nfs/dbraw/zinc/10/20/89/139102089.db2.gz MJTZILVADXOBJK-QAPCUYQASA-N 2 1 331.460 1.523 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC2(C)C)cc1 ZINC000415297325 304188148 /nfs/dbraw/zinc/18/81/48/304188148.db2.gz NMJXUCQSPYJHCN-ZDUSSCGKSA-N 2 1 332.448 1.635 20 0 EDADMP COc1cccc(COC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000246325428 139104125 /nfs/dbraw/zinc/10/41/25/139104125.db2.gz AWIUYUNJLWNMMH-KBAYOESNSA-N 2 1 336.476 1.987 20 0 EDADMP COc1cccc(COC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000246325428 139104126 /nfs/dbraw/zinc/10/41/26/139104126.db2.gz AWIUYUNJLWNMMH-KBAYOESNSA-N 2 1 336.476 1.987 20 0 EDADMP COc1cccc(COC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000246325428 139104127 /nfs/dbraw/zinc/10/41/27/139104127.db2.gz AWIUYUNJLWNMMH-KBAYOESNSA-N 2 1 336.476 1.987 20 0 EDADMP COc1cccc(COC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000246325428 139104128 /nfs/dbraw/zinc/10/41/28/139104128.db2.gz AWIUYUNJLWNMMH-KBAYOESNSA-N 2 1 336.476 1.987 20 0 EDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c2C1 ZINC000415299991 304188781 /nfs/dbraw/zinc/18/87/81/304188781.db2.gz ZXSDVTDMRKRPLH-DZGCQCFKSA-N 2 1 344.459 1.545 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)C1 ZINC000415334521 304196753 /nfs/dbraw/zinc/19/67/53/304196753.db2.gz SNIFSXQSHURELM-PBHICJAKSA-N 2 1 344.459 1.335 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000247141705 139137352 /nfs/dbraw/zinc/13/73/52/139137352.db2.gz HUIDTGYJYRFDFR-DOTOQJQBSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000247283624 139143474 /nfs/dbraw/zinc/14/34/74/139143474.db2.gz SKISEHDVEXETKG-IRXDYDNUSA-N 2 1 342.528 1.763 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NCC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000247283624 139143475 /nfs/dbraw/zinc/14/34/75/139143475.db2.gz SKISEHDVEXETKG-IRXDYDNUSA-N 2 1 342.528 1.763 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NCC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000247283624 139143476 /nfs/dbraw/zinc/14/34/76/139143476.db2.gz SKISEHDVEXETKG-IRXDYDNUSA-N 2 1 342.528 1.763 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093124125 218194363 /nfs/dbraw/zinc/19/43/63/218194363.db2.gz CUATVZKNHOQISF-UHFFFAOYSA-N 2 1 349.479 1.175 20 0 EDADMP Fc1cccc(-c2nc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)co2)c1 ZINC000261603359 139209899 /nfs/dbraw/zinc/20/98/99/139209899.db2.gz CBSDGVYDTIVQOA-KRWDZBQOSA-N 2 1 330.407 1.960 20 0 EDADMP Fc1cccc(-c2nc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)co2)c1 ZINC000261603359 139209900 /nfs/dbraw/zinc/20/99/00/139209900.db2.gz CBSDGVYDTIVQOA-KRWDZBQOSA-N 2 1 330.407 1.960 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000261715579 139219925 /nfs/dbraw/zinc/21/99/25/139219925.db2.gz LKTHONCBNVZTSG-GFCCVEGCSA-N 2 1 334.445 1.690 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000261715579 139219926 /nfs/dbraw/zinc/21/99/26/139219926.db2.gz LKTHONCBNVZTSG-GFCCVEGCSA-N 2 1 334.445 1.690 20 0 EDADMP [NH3+][C@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)C1CCOCC1 ZINC000261803301 139227365 /nfs/dbraw/zinc/22/73/65/139227365.db2.gz OHCPKFYTSCYXDW-SFHVURJKSA-N 2 1 331.460 1.127 20 0 EDADMP c1ncn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)n1 ZINC000261843061 139230845 /nfs/dbraw/zinc/23/08/45/139230845.db2.gz AMEOERJVLHUGBV-GUDVDZBRSA-N 2 1 341.459 1.573 20 0 EDADMP C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@H](C[NH3+])C1 ZINC000261899052 139235162 /nfs/dbraw/zinc/23/51/62/139235162.db2.gz WCVKPHMKWJMLGF-LPHOPBHVSA-N 2 1 344.503 1.633 20 0 EDADMP C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@@H](C[NH3+])C1 ZINC000261899053 139235172 /nfs/dbraw/zinc/23/51/72/139235172.db2.gz WCVKPHMKWJMLGF-QFBILLFUSA-N 2 1 344.503 1.633 20 0 EDADMP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261905773 139235716 /nfs/dbraw/zinc/23/57/16/139235716.db2.gz IESNNOHIZZBCKT-QRVBRYPASA-N 2 1 343.471 1.826 20 0 EDADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261991172 139242322 /nfs/dbraw/zinc/24/23/22/139242322.db2.gz SIIGFKWNXKLILW-HUUCEWRRSA-N 2 1 339.480 1.156 20 0 EDADMP COC[C@H](N)C(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000262031754 139245250 /nfs/dbraw/zinc/24/52/50/139245250.db2.gz JXTQTSYHUYXYPJ-HRCADAONSA-N 2 1 341.402 1.579 20 0 EDADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262098214 139250745 /nfs/dbraw/zinc/25/07/45/139250745.db2.gz IEBIMUCBTVFSRG-MAUKXSAKSA-N 2 1 348.878 1.872 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2cccc(C[NH2+]C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000415941049 251036552 /nfs/dbraw/zinc/03/65/52/251036552.db2.gz GDWHCDIRALQIAD-AEFFLSMTSA-N 2 1 346.475 1.981 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NC1CCC([NH3+])CC1)[NH+](C)C ZINC000416832937 251112875 /nfs/dbraw/zinc/11/28/75/251112875.db2.gz IWEICTZQRCQUGW-ZBCRRDGASA-N 2 1 334.464 1.867 20 0 EDADMP [NH3+][C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000416881634 251117206 /nfs/dbraw/zinc/11/72/06/251117206.db2.gz LYUXNMXPQUOIBP-QGZVFWFLSA-N 2 1 332.448 1.152 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NC(C)(C)C[NH3+])cc2)CC1 ZINC000416989381 251119608 /nfs/dbraw/zinc/11/96/08/251119608.db2.gz MHHODABDZYNEOB-UHFFFAOYSA-N 2 1 347.507 1.361 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417010517 251130374 /nfs/dbraw/zinc/13/03/74/251130374.db2.gz PJRSNGKRXVYMAA-GOSISDBHSA-N 2 1 328.460 1.581 20 0 EDADMP C[C@@H](CCC[NH3+])NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417385205 251161290 /nfs/dbraw/zinc/16/12/90/251161290.db2.gz LUNBLTVAQWLTLD-INIZCTEOSA-N 2 1 348.495 1.020 20 0 EDADMP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000262365486 139273537 /nfs/dbraw/zinc/27/35/37/139273537.db2.gz VZXCDGMSXWGDKN-DAYGRLMNSA-N 2 1 333.476 1.754 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417556626 251187288 /nfs/dbraw/zinc/18/72/88/251187288.db2.gz PAPQWJLCNSKUNP-KGLIPLIRSA-N 2 1 332.439 1.937 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC([NH3+])(CC)CC)[C@@H](C)C1 ZINC000417664201 251219629 /nfs/dbraw/zinc/21/96/29/251219629.db2.gz BBJBTGBFPCSFKV-HOTGVXAUSA-N 2 1 342.528 1.940 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417615070 251207370 /nfs/dbraw/zinc/20/73/70/251207370.db2.gz WMNCPQSQLSHWRV-JKSUJKDBSA-N 2 1 340.537 1.599 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000417689261 251228740 /nfs/dbraw/zinc/22/87/40/251228740.db2.gz FWDHOVPLNZRQHH-MRXNPFEDSA-N 2 1 345.491 2.000 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000417670637 251223012 /nfs/dbraw/zinc/22/30/12/251223012.db2.gz OPHZTEBXJORKKH-BZUAXINKSA-N 2 1 326.485 1.127 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000417714482 251239839 /nfs/dbraw/zinc/23/98/39/251239839.db2.gz HOWBQDDNNRTJNL-YJBOKZPZSA-N 2 1 348.491 1.516 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417717548 251240745 /nfs/dbraw/zinc/24/07/45/251240745.db2.gz VFCJMZSSRBWGOM-SJORKVTESA-N 2 1 334.464 1.487 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000417729611 251246504 /nfs/dbraw/zinc/24/65/04/251246504.db2.gz LRPACCJDYTXBMZ-MRXNPFEDSA-N 2 1 331.464 1.752 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417730979 251247412 /nfs/dbraw/zinc/24/74/12/251247412.db2.gz NDMVVPRWXZJASO-SJORKVTESA-N 2 1 347.507 1.494 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000417744022 251253097 /nfs/dbraw/zinc/25/30/97/251253097.db2.gz CJOLWNBBTHVIPV-MSOLQXFVSA-N 2 1 348.491 1.339 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000417827046 251286959 /nfs/dbraw/zinc/28/69/59/251286959.db2.gz FCYGSFUNXOCNNP-MRXNPFEDSA-N 2 1 346.479 1.456 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000418123554 251335405 /nfs/dbraw/zinc/33/54/05/251335405.db2.gz ZJWJRBOOFUFXNZ-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP CN(C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000418076292 251320744 /nfs/dbraw/zinc/32/07/44/251320744.db2.gz IUWUZUYOONIZFN-MRXNPFEDSA-N 2 1 334.489 1.217 20 0 EDADMP CN(C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000418076292 251320748 /nfs/dbraw/zinc/32/07/48/251320748.db2.gz IUWUZUYOONIZFN-MRXNPFEDSA-N 2 1 334.489 1.217 20 0 EDADMP CC(C)([NH3+])CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418078599 251321594 /nfs/dbraw/zinc/32/15/94/251321594.db2.gz OHTXIPMNDUUIJR-HNNXBMFYSA-N 2 1 336.505 1.641 20 0 EDADMP CC(C)([NH3+])CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418078599 251321596 /nfs/dbraw/zinc/32/15/96/251321596.db2.gz OHTXIPMNDUUIJR-HNNXBMFYSA-N 2 1 336.505 1.641 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418429697 251368975 /nfs/dbraw/zinc/36/89/75/251368975.db2.gz SKXRTLFXBDDHJD-SJORKVTESA-N 2 1 348.491 1.439 20 0 EDADMP Cc1cc(CNC(=O)N[C@H](CC[NH3+])C(F)F)cc(N2CCCC2)[nH+]1 ZINC000418196490 251354204 /nfs/dbraw/zinc/35/42/04/251354204.db2.gz HRFTVROFCYODEB-CYBMUJFWSA-N 2 1 341.406 1.772 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)cs1 ZINC000262710167 139297947 /nfs/dbraw/zinc/29/79/47/139297947.db2.gz CKKBNUFNJHSGQM-MLGOLLRUSA-N 2 1 336.505 1.778 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343879 251686884 /nfs/dbraw/zinc/68/68/84/251686884.db2.gz RQCKBHQNDOVLKA-VNQPRFMTSA-N 2 1 344.459 1.434 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262736339 139300049 /nfs/dbraw/zinc/30/00/49/139300049.db2.gz FXTUQMNWIQBRSD-CGTJXYLNSA-N 2 1 331.460 1.616 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262736339 139300050 /nfs/dbraw/zinc/30/00/50/139300050.db2.gz FXTUQMNWIQBRSD-CGTJXYLNSA-N 2 1 331.460 1.616 20 0 EDADMP C[C@H](CC(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1)C1CC[NH2+]CC1 ZINC000262804588 139304966 /nfs/dbraw/zinc/30/49/66/139304966.db2.gz OGRAPAMBSPUZJX-GFCCVEGCSA-N 2 1 342.447 1.895 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000262847874 139307764 /nfs/dbraw/zinc/30/77/64/139307764.db2.gz JPVJGIZKBOZCGU-CRAIPNDOSA-N 2 1 333.476 1.899 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000262859794 139308714 /nfs/dbraw/zinc/30/87/14/139308714.db2.gz LBUFIZPYYBBCKZ-SJLPKXTDSA-N 2 1 330.476 1.061 20 0 EDADMP Cc1ccc(NCCCNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)[nH+]c1 ZINC000262875177 139309709 /nfs/dbraw/zinc/30/97/09/139309709.db2.gz YDOCHCUOCPCJAE-OAHLLOKOSA-N 2 1 342.447 1.743 20 0 EDADMP COCC[N@H+]1CC[C@H](N[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000422890264 252013759 /nfs/dbraw/zinc/01/37/59/252013759.db2.gz RPJFYIKALKESCA-UHOSZYNNSA-N 2 1 333.476 1.799 20 0 EDADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c2ccccc21 ZINC000422893799 252015116 /nfs/dbraw/zinc/01/51/16/252015116.db2.gz ASKVTGJVATZINJ-VUCTXSBTSA-N 2 1 342.395 1.889 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000423352266 252051163 /nfs/dbraw/zinc/05/11/63/252051163.db2.gz AEOOBLXAXBOAFD-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422909650 252019760 /nfs/dbraw/zinc/01/97/60/252019760.db2.gz GMVSTYOWBYTOEU-MJGOQNOKSA-N 2 1 344.503 1.703 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@H](C[NH3+])C2CCCC2)c2ccccc2)CC1 ZINC000423959919 252108771 /nfs/dbraw/zinc/10/87/71/252108771.db2.gz NCGWLNSIZWMMRO-MOPGFXCFSA-N 2 1 344.503 1.609 20 0 EDADMP C[N@H+](CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)Cc1ccccc1 ZINC000423995163 252110063 /nfs/dbraw/zinc/11/00/63/252110063.db2.gz DHJKQWUQNSTDRO-ICSRJNTNSA-N 2 1 345.487 1.863 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)Cc1ccccc1 ZINC000423995163 252110068 /nfs/dbraw/zinc/11/00/68/252110068.db2.gz DHJKQWUQNSTDRO-ICSRJNTNSA-N 2 1 345.487 1.863 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000423805483 252083400 /nfs/dbraw/zinc/08/34/00/252083400.db2.gz ZFYJSGAODAMDCO-QFBILLFUSA-N 2 1 337.508 1.583 20 0 EDADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424381829 252204657 /nfs/dbraw/zinc/20/46/57/252204657.db2.gz ZQPUZUGTPOAPAI-RAIGVLPGSA-N 2 1 328.254 1.859 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424412833 252217644 /nfs/dbraw/zinc/21/76/44/252217644.db2.gz BRXNJDOQDNQMTD-UHFFFAOYSA-N 2 1 347.507 1.991 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)C2 ZINC000112540023 220344911 /nfs/dbraw/zinc/34/49/11/220344911.db2.gz QWSHOBDOXICMLF-KBPBESRZSA-N 2 1 332.473 1.905 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(O)c(OC)c1 ZINC000442646866 254553836 /nfs/dbraw/zinc/55/38/36/254553836.db2.gz IHBBJPYIHYGBRU-MRXNPFEDSA-N 2 1 349.475 1.889 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000263761330 139358441 /nfs/dbraw/zinc/35/84/41/139358441.db2.gz KZOSMSHOYXNFHX-KRWDZBQOSA-N 2 1 336.480 1.037 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000487173192 255027967 /nfs/dbraw/zinc/02/79/67/255027967.db2.gz UWFHGRUNLQBPDO-AEFFLSMTSA-N 2 1 337.508 1.535 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000487557457 255032778 /nfs/dbraw/zinc/03/27/78/255032778.db2.gz JVOQBJBHDFIFMC-GDAAHCPNSA-N 2 1 327.472 1.775 20 0 EDADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000487557457 255032779 /nfs/dbraw/zinc/03/27/79/255032779.db2.gz JVOQBJBHDFIFMC-GDAAHCPNSA-N 2 1 327.472 1.775 20 0 EDADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000487557457 255032780 /nfs/dbraw/zinc/03/27/80/255032780.db2.gz JVOQBJBHDFIFMC-GDAAHCPNSA-N 2 1 327.472 1.775 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@H]2C)CC1 ZINC000488798255 255054742 /nfs/dbraw/zinc/05/47/42/255054742.db2.gz JNHSQFAFOALEDE-IEBWSBKVSA-N 2 1 345.487 1.342 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@H]2C)CC1 ZINC000488798255 255054744 /nfs/dbraw/zinc/05/47/44/255054744.db2.gz JNHSQFAFOALEDE-IEBWSBKVSA-N 2 1 345.487 1.342 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CSC[C@H]1C ZINC000357763390 285246270 /nfs/dbraw/zinc/24/62/70/285246270.db2.gz RNNDHBOIIZBDJT-OAGGEKHMSA-N 2 1 342.553 1.795 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000494702049 255258766 /nfs/dbraw/zinc/25/87/66/255258766.db2.gz HAUYQMFGHPZOCS-HOCLYGCPSA-N 2 1 334.464 1.226 20 0 EDADMP CN(C[C@H](O)C[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496459551 255394265 /nfs/dbraw/zinc/39/42/65/255394265.db2.gz IKIPBEKSZLSORN-ZALBZXLWSA-N 2 1 327.469 1.429 20 0 EDADMP CN(C[C@H](O)C[N@@H+](C)C1CC(NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496459551 255394266 /nfs/dbraw/zinc/39/42/66/255394266.db2.gz IKIPBEKSZLSORN-ZALBZXLWSA-N 2 1 327.469 1.429 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N1CC[C@@H](COC)C1 ZINC000337796072 285277862 /nfs/dbraw/zinc/27/78/62/285277862.db2.gz FLGMNHSEZZTNCU-SJORKVTESA-N 2 1 340.512 1.423 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCC[C@H]1C ZINC000248698855 285282406 /nfs/dbraw/zinc/28/24/06/285282406.db2.gz KKXMIZJBYNTGLL-CVEARBPZSA-N 2 1 346.541 1.063 20 0 EDADMP C[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000178571769 533217112 /nfs/dbraw/zinc/21/71/12/533217112.db2.gz PVZQQCYDBYCPNK-LSDHHAIUSA-N 2 1 334.439 1.143 20 0 EDADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)CC1 ZINC000119740435 221390536 /nfs/dbraw/zinc/39/05/36/221390536.db2.gz YJBPVTOEHLSJGK-IAGOWNOFSA-N 2 1 338.496 1.412 20 0 EDADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)CC1 ZINC000119740435 221390539 /nfs/dbraw/zinc/39/05/39/221390539.db2.gz YJBPVTOEHLSJGK-IAGOWNOFSA-N 2 1 338.496 1.412 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264324109 139397283 /nfs/dbraw/zinc/39/72/83/139397283.db2.gz AJHIXROCEUKGRH-OALUTQOASA-N 2 1 344.503 1.528 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000452727000 285356854 /nfs/dbraw/zinc/35/68/54/285356854.db2.gz GKAAAHARWSBEJZ-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000452727000 285356855 /nfs/dbraw/zinc/35/68/55/285356855.db2.gz GKAAAHARWSBEJZ-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000452727000 285356856 /nfs/dbraw/zinc/35/68/56/285356856.db2.gz GKAAAHARWSBEJZ-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000452727000 285356857 /nfs/dbraw/zinc/35/68/57/285356857.db2.gz GKAAAHARWSBEJZ-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](C)[C@H](CC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000416237850 304298894 /nfs/dbraw/zinc/29/88/94/304298894.db2.gz CTWXWXKEVVKMFB-SQNIBIBYSA-N 2 1 331.460 1.611 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3C[C@H]([NH3+])Cc4ccccc43)cn2)CC1 ZINC000571532331 306567996 /nfs/dbraw/zinc/56/79/96/306567996.db2.gz WFGFGJVNCOBHNR-QGZVFWFLSA-N 2 1 338.459 1.118 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H]1[NH+]1CCOCC1 ZINC000333274987 141291429 /nfs/dbraw/zinc/29/14/29/141291429.db2.gz GQQVSVQTWKTPGE-RDTXWAMCSA-N 2 1 344.459 1.517 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000333551898 141335438 /nfs/dbraw/zinc/33/54/38/141335438.db2.gz KIBIVPRXXYOPQH-IRXDYDNUSA-N 2 1 338.496 1.461 20 0 EDADMP C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000333701018 141361140 /nfs/dbraw/zinc/36/11/40/141361140.db2.gz QUYTXKNXMLGDET-OWCLPIDISA-N 2 1 338.496 1.269 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000333770724 141377950 /nfs/dbraw/zinc/37/79/50/141377950.db2.gz BZNWNSNONVONAB-XJKSGUPXSA-N 2 1 332.448 1.941 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000339948434 142209317 /nfs/dbraw/zinc/20/93/17/142209317.db2.gz ZKFRUKVVHGQHAP-QGZVFWFLSA-N 3 1 341.544 1.386 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)c3nccn3c2)C[C@@H]1C ZINC000340324806 142341829 /nfs/dbraw/zinc/34/18/29/142341829.db2.gz KMUDXGIEKBNRNS-UONOGXRCSA-N 2 1 343.431 1.522 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)c3nccn3c2)C[C@@H]1C ZINC000340324806 142341831 /nfs/dbraw/zinc/34/18/31/142341831.db2.gz KMUDXGIEKBNRNS-UONOGXRCSA-N 2 1 343.431 1.522 20 0 EDADMP COCC[NH+]1CCC([NH2+]Cc2cccc(N3CCOCC3)c2)CC1 ZINC000340433508 142391076 /nfs/dbraw/zinc/39/10/76/142391076.db2.gz ABRKHTGJHMPAFT-UHFFFAOYSA-N 2 1 333.476 1.724 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)c2cccs2)CC1 ZINC000572478227 306590302 /nfs/dbraw/zinc/59/03/02/306590302.db2.gz DABCJIBHLOIWQH-RKVPGOIHSA-N 2 1 348.516 1.152 20 0 EDADMP COc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc(Cl)c1OC ZINC000647493483 452236937 /nfs/dbraw/zinc/23/69/37/452236937.db2.gz WJRWDZKWQZTLRB-UHFFFAOYSA-N 2 1 327.856 1.694 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000342715686 142748724 /nfs/dbraw/zinc/74/87/24/142748724.db2.gz XAOUEECLJTWVQG-MSOLQXFVSA-N 2 1 345.487 1.986 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CCC[N@H+]1C ZINC000343619077 142865219 /nfs/dbraw/zinc/86/52/19/142865219.db2.gz JQPKDBOCBXIIEF-MAUKXSAKSA-N 2 1 348.491 1.909 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H](C)[NH+](CC)CC)CC[N@H+]1C[C@H](C)O ZINC000345479637 143096206 /nfs/dbraw/zinc/09/62/06/143096206.db2.gz MTGHKHXIFHFXFY-HRCADAONSA-N 2 1 328.501 1.203 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000345674342 143119866 /nfs/dbraw/zinc/11/98/66/143119866.db2.gz VFKBJJMUUYVWDF-UHFFFAOYSA-N 2 1 340.427 1.699 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CCC[N@H+]1C ZINC000345747908 143128546 /nfs/dbraw/zinc/12/85/46/143128546.db2.gz MVEPSFDICDJPEC-WBVHZDCISA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000346130974 143170909 /nfs/dbraw/zinc/17/09/09/143170909.db2.gz ACFYDHZLDFGJBD-ZACQAIPSSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000346211180 143179351 /nfs/dbraw/zinc/17/93/51/143179351.db2.gz BSSQOJPFNQVYIW-HOTGVXAUSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000346211180 143179352 /nfs/dbraw/zinc/17/93/52/143179352.db2.gz BSSQOJPFNQVYIW-HOTGVXAUSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000346211180 143179353 /nfs/dbraw/zinc/17/93/53/143179353.db2.gz BSSQOJPFNQVYIW-HOTGVXAUSA-N 2 1 325.497 1.722 20 0 EDADMP CCc1ncc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000346667887 143229002 /nfs/dbraw/zinc/22/90/02/143229002.db2.gz FIWRRZGGCXLOBN-UKRRQHHQSA-N 2 1 336.505 1.786 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346841696 143250704 /nfs/dbraw/zinc/25/07/04/143250704.db2.gz GWTMMECVJPVARE-XIRDDKMYSA-N 2 1 334.464 1.621 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346841694 143250811 /nfs/dbraw/zinc/25/08/11/143250811.db2.gz GWTMMECVJPVARE-USXIJHARSA-N 2 1 334.464 1.621 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346852335 143251832 /nfs/dbraw/zinc/25/18/32/143251832.db2.gz XEKCDQRODQFMTN-BHYGNILZSA-N 2 1 333.480 1.124 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000346979661 143268085 /nfs/dbraw/zinc/26/80/85/143268085.db2.gz MYQJNWNTTSZSHJ-FUHWJXTLSA-N 2 1 339.524 1.972 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)[NH+](C)C1 ZINC000347172475 143290849 /nfs/dbraw/zinc/29/08/49/143290849.db2.gz SZQYPRDGPPAGJC-YYIAUSFCSA-N 2 1 340.512 1.610 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)[N@H+](C)C1 ZINC000347172475 143290850 /nfs/dbraw/zinc/29/08/50/143290850.db2.gz SZQYPRDGPPAGJC-YYIAUSFCSA-N 2 1 340.512 1.610 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)[N@@H+](C)C1 ZINC000347172475 143290851 /nfs/dbraw/zinc/29/08/51/143290851.db2.gz SZQYPRDGPPAGJC-YYIAUSFCSA-N 2 1 340.512 1.610 20 0 EDADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347227830 143297583 /nfs/dbraw/zinc/29/75/83/143297583.db2.gz WMWXGDBPVCMEQN-GINYUPMKSA-N 2 1 343.471 1.852 20 0 EDADMP C[C@H]1C[N@@H+](C2CCN(Cc3ncc(C[NH+](C)C)s3)CC2)CCO1 ZINC000347635548 143343926 /nfs/dbraw/zinc/34/39/26/143343926.db2.gz HERGMVIQGGEWQX-AWEZNQCLSA-N 2 1 338.521 1.890 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(Cc3ncc(C[NH+](C)C)s3)CC2)CCO1 ZINC000347635548 143343927 /nfs/dbraw/zinc/34/39/27/143343927.db2.gz HERGMVIQGGEWQX-AWEZNQCLSA-N 2 1 338.521 1.890 20 0 EDADMP COCC[NH+]1CCC(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000340510897 149053765 /nfs/dbraw/zinc/05/37/65/149053765.db2.gz BQFSASGNYLSBNO-FQEVSTJZSA-N 2 1 347.503 1.106 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000352663208 149106557 /nfs/dbraw/zinc/10/65/57/149106557.db2.gz DYCDTCLYFBIUIX-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000352663208 149106559 /nfs/dbraw/zinc/10/65/59/149106559.db2.gz DYCDTCLYFBIUIX-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCSCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000352666819 149108252 /nfs/dbraw/zinc/10/82/52/149108252.db2.gz XGOKLAONEKESIV-LSDHHAIUSA-N 2 1 328.526 1.455 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCSCC1)[N@H+]1CCC[C@H](C)C1 ZINC000352666819 149108256 /nfs/dbraw/zinc/10/82/56/149108256.db2.gz XGOKLAONEKESIV-LSDHHAIUSA-N 2 1 328.526 1.455 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)NCC[NH+]1CCSCC1 ZINC000353304704 149358891 /nfs/dbraw/zinc/35/88/91/149358891.db2.gz PNZPBMRUPWRTLG-UHFFFAOYSA-N 2 1 342.553 1.943 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000417040983 304365267 /nfs/dbraw/zinc/36/52/67/304365267.db2.gz VYFSFVPYISEYEM-INMHGKMJSA-N 2 1 328.476 1.697 20 0 EDADMP CSC1(CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC[NH+](C)CC1 ZINC000357873506 151179997 /nfs/dbraw/zinc/17/99/97/151179997.db2.gz VAMMACGXDOZSPF-DZGCQCFKSA-N 2 1 340.537 1.596 20 0 EDADMP CSC1(CNC(=O)NCC[N@@H+]2CC=C(C)CC2)CC[NH+](C)CC1 ZINC000357899579 151187830 /nfs/dbraw/zinc/18/78/30/151187830.db2.gz GCDJDRIIVQLPIP-UHFFFAOYSA-N 2 1 340.537 1.765 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000358062556 151253365 /nfs/dbraw/zinc/25/33/65/151253365.db2.gz IEFZXSPCUDYQGS-ZBFHGGJFSA-N 2 1 325.840 1.126 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000358062556 151253366 /nfs/dbraw/zinc/25/33/66/151253366.db2.gz IEFZXSPCUDYQGS-ZBFHGGJFSA-N 2 1 325.840 1.126 20 0 EDADMP CC[N@H+]1CC[C@H](NCc2cccc(NS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000358082101 151263575 /nfs/dbraw/zinc/26/35/75/151263575.db2.gz IZNRABXDJDBIFM-BBRMVZONSA-N 2 1 325.478 1.878 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000358082101 151263577 /nfs/dbraw/zinc/26/35/77/151263577.db2.gz IZNRABXDJDBIFM-BBRMVZONSA-N 2 1 325.478 1.878 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000358125604 151280168 /nfs/dbraw/zinc/28/01/68/151280168.db2.gz AATOELIHFSAUSW-HOTGVXAUSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000358125604 151280169 /nfs/dbraw/zinc/28/01/69/151280169.db2.gz AATOELIHFSAUSW-HOTGVXAUSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000358125604 151280170 /nfs/dbraw/zinc/28/01/70/151280170.db2.gz AATOELIHFSAUSW-HOTGVXAUSA-N 2 1 340.512 1.610 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000358169824 151294817 /nfs/dbraw/zinc/29/48/17/151294817.db2.gz RLQOTJOJYLXSRJ-IRXDYDNUSA-N 2 1 342.528 1.857 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000358461479 151384205 /nfs/dbraw/zinc/38/42/05/151384205.db2.gz GIYMUTVFRVSPKK-DLBZAZTESA-N 2 1 325.497 1.412 20 0 EDADMP COc1ccccc1N1CC[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C1=O ZINC000358497829 151395130 /nfs/dbraw/zinc/39/51/30/151395130.db2.gz LFVWBSJNMIMGGE-MRXNPFEDSA-N 2 1 329.444 1.876 20 0 EDADMP CSC1(CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC[NH+](C)CC1 ZINC000360688336 152153045 /nfs/dbraw/zinc/15/30/45/152153045.db2.gz CROBLLLUEWIKCC-HNNXBMFYSA-N 2 1 340.537 1.694 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000370139888 155344273 /nfs/dbraw/zinc/34/42/73/155344273.db2.gz HROCWAWEJQTARN-LEUOFYLZSA-N 2 1 331.460 1.126 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CCN1CCCOCC1 ZINC000361376981 152376501 /nfs/dbraw/zinc/37/65/01/152376501.db2.gz NLMAYWUDUZCSBO-UHFFFAOYSA-N 2 1 326.529 1.058 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000351482424 286343891 /nfs/dbraw/zinc/34/38/91/286343891.db2.gz ZPVJHTZJQJZNFQ-PYTWLRIVSA-N 2 1 347.459 1.550 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000351482424 286343895 /nfs/dbraw/zinc/34/38/95/286343895.db2.gz ZPVJHTZJQJZNFQ-PYTWLRIVSA-N 2 1 347.459 1.550 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)NCc3ccco3)CC2)C[C@H](C)O1 ZINC000363916654 153095098 /nfs/dbraw/zinc/09/50/98/153095098.db2.gz DQBDDGCYCUWHPZ-IYBDPMFKSA-N 2 1 349.475 1.717 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)NCc3ccco3)CC2)C[C@H](C)O1 ZINC000363916654 153095101 /nfs/dbraw/zinc/09/51/01/153095101.db2.gz DQBDDGCYCUWHPZ-IYBDPMFKSA-N 2 1 349.475 1.717 20 0 EDADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(-c4ccco4)on3)C2)CC1 ZINC000364206217 153172747 /nfs/dbraw/zinc/17/27/47/153172747.db2.gz JXOSQVXUDPCHKW-CYBMUJFWSA-N 2 1 344.415 1.833 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(-c4ccco4)on3)C2)CC1 ZINC000364206217 153172748 /nfs/dbraw/zinc/17/27/48/153172748.db2.gz JXOSQVXUDPCHKW-CYBMUJFWSA-N 2 1 344.415 1.833 20 0 EDADMP CC(C)n1cc(CN2CCCN(C(=O)C[N@@H+](C)C(C)C)CC2)cn1 ZINC000364427162 153233472 /nfs/dbraw/zinc/23/34/72/153233472.db2.gz UVTOVHYCLKQIJT-UHFFFAOYSA-N 2 1 335.496 1.839 20 0 EDADMP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1)C(C)C ZINC000367110349 154011733 /nfs/dbraw/zinc/01/17/33/154011733.db2.gz MSDKACVZZZOTJL-GOSISDBHSA-N 2 1 338.540 1.591 20 0 EDADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1)C(C)C ZINC000367110349 154011734 /nfs/dbraw/zinc/01/17/34/154011734.db2.gz MSDKACVZZZOTJL-GOSISDBHSA-N 2 1 338.540 1.591 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000367283284 154065956 /nfs/dbraw/zinc/06/59/56/154065956.db2.gz UIQZLKOVSDPLKT-IRXDYDNUSA-N 2 1 347.459 1.090 20 0 EDADMP CN[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1cnn(C)c1 ZINC000367652508 154214601 /nfs/dbraw/zinc/21/46/01/154214601.db2.gz FCXPRCALZCSGFT-KCXAZCMYSA-N 2 1 347.488 1.551 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1cnn(C)c1 ZINC000367652508 154214607 /nfs/dbraw/zinc/21/46/07/154214607.db2.gz FCXPRCALZCSGFT-KCXAZCMYSA-N 2 1 347.488 1.551 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCNC[C@H]1C(F)F ZINC000367992888 154358829 /nfs/dbraw/zinc/35/88/29/154358829.db2.gz GRFIEKDZBZLBPU-CVEARBPZSA-N 2 1 337.414 1.964 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367992888 154358833 /nfs/dbraw/zinc/35/88/33/154358833.db2.gz GRFIEKDZBZLBPU-CVEARBPZSA-N 2 1 337.414 1.964 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367992888 154358836 /nfs/dbraw/zinc/35/88/36/154358836.db2.gz GRFIEKDZBZLBPU-CVEARBPZSA-N 2 1 337.414 1.964 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000417340892 304392522 /nfs/dbraw/zinc/39/25/22/304392522.db2.gz NHXRNWCSULFGMW-RKVPGOIHSA-N 2 1 330.476 1.730 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000369395571 155012459 /nfs/dbraw/zinc/01/24/59/155012459.db2.gz NUGYNNWAYHUBNM-HYVNUMGLSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000369395571 155012466 /nfs/dbraw/zinc/01/24/66/155012466.db2.gz NUGYNNWAYHUBNM-HYVNUMGLSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCC[N@@H+](C)C1CC1 ZINC000369395571 155012473 /nfs/dbraw/zinc/01/24/73/155012473.db2.gz NUGYNNWAYHUBNM-HYVNUMGLSA-N 2 1 338.496 1.269 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3cc[nH]c(=O)c3)CC2)CC1 ZINC000372016789 156211290 /nfs/dbraw/zinc/21/12/90/156211290.db2.gz IPSPDTCNXARWSC-UHFFFAOYSA-N 2 1 346.475 1.713 20 0 EDADMP C[C@H](C(=O)N1CCC[N@@H+](C2CCOCC2)CC1)[NH+]1CCSCC1 ZINC000372151121 156242685 /nfs/dbraw/zinc/24/26/85/156242685.db2.gz ZHYSVKOISXCZRO-OAHLLOKOSA-N 2 1 341.521 1.137 20 0 EDADMP C[C@H](C(=O)N1CCC[N@H+](C2CCOCC2)CC1)[NH+]1CCSCC1 ZINC000372151121 156242690 /nfs/dbraw/zinc/24/26/90/156242690.db2.gz ZHYSVKOISXCZRO-OAHLLOKOSA-N 2 1 341.521 1.137 20 0 EDADMP Brc1c[nH+]ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000372348939 156347588 /nfs/dbraw/zinc/34/75/88/156347588.db2.gz RGOZEFHRDKBFHW-GFCCVEGCSA-N 2 1 326.238 1.931 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC[NH2+]1 ZINC000373840911 157028338 /nfs/dbraw/zinc/02/83/38/157028338.db2.gz HOZBIDCBKJXDDD-NBOOPKSLSA-N 2 1 330.476 1.796 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCOC[C@H]1CCOC1 ZINC000378187212 158103059 /nfs/dbraw/zinc/10/30/59/158103059.db2.gz ZOKTUZWWDCDMTP-AKHDSKFASA-N 2 1 340.508 1.909 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000378205642 158108470 /nfs/dbraw/zinc/10/84/70/158108470.db2.gz NIFUIONHTJLCHJ-ZWKOTPCHSA-N 2 1 330.476 1.233 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000378369030 158155280 /nfs/dbraw/zinc/15/52/80/158155280.db2.gz JFQXDFJIHDVMJN-MRXNPFEDSA-N 2 1 344.503 1.647 20 0 EDADMP C[N@@H+](CCCn1ccnc1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000378446368 158176564 /nfs/dbraw/zinc/17/65/64/158176564.db2.gz YXMYEUOLVLKHQI-UHFFFAOYSA-N 2 1 333.480 1.292 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000378542123 158204453 /nfs/dbraw/zinc/20/44/53/158204453.db2.gz UASNAJVRPMUNPA-UHFFFAOYSA-N 2 1 348.443 1.117 20 0 EDADMP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C[C@H](C)O ZINC000352195682 162043030 /nfs/dbraw/zinc/04/30/30/162043030.db2.gz SKYCGQHMUOWTNQ-SFHVURJKSA-N 2 1 347.503 1.732 20 0 EDADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C[C@H](C)O ZINC000352195682 162043034 /nfs/dbraw/zinc/04/30/34/162043034.db2.gz SKYCGQHMUOWTNQ-SFHVURJKSA-N 2 1 347.503 1.732 20 0 EDADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C[C@H](C)O ZINC000352195682 162043036 /nfs/dbraw/zinc/04/30/36/162043036.db2.gz SKYCGQHMUOWTNQ-SFHVURJKSA-N 2 1 347.503 1.732 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000352208908 162052123 /nfs/dbraw/zinc/05/21/23/162052123.db2.gz VXURNLJAQBHRCL-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP CCCCOCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000120822193 287364712 /nfs/dbraw/zinc/36/47/12/287364712.db2.gz WEYVTFQIWIWYSA-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000194139377 273000629 /nfs/dbraw/zinc/00/06/29/273000629.db2.gz DGYBVSLBAUTMCT-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000194139377 273000631 /nfs/dbraw/zinc/00/06/31/273000631.db2.gz DGYBVSLBAUTMCT-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP CC[C@@]1(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]1 ZINC000274611134 268169133 /nfs/dbraw/zinc/16/91/33/268169133.db2.gz NITVASWADGYHOY-PXNSSMCTSA-N 2 1 344.503 1.846 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000275499523 268352052 /nfs/dbraw/zinc/35/20/52/268352052.db2.gz UVRAARUVPWOQCF-KRWDZBQOSA-N 2 1 346.475 1.789 20 0 EDADMP CCC[C@@H](C)C(=O)NCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655770394 452569990 /nfs/dbraw/zinc/56/99/90/452569990.db2.gz JBCOIJZXZRLDTF-NVXWUHKLSA-N 2 1 325.497 1.772 20 0 EDADMP Cc1ccccc1CN1CCN(C(=O)CN[C@@H](C)c2cn[nH]c2)CC1 ZINC000275234203 273107780 /nfs/dbraw/zinc/10/77/80/273107780.db2.gz WGOVEGZAHBDQNK-INIZCTEOSA-N 2 1 341.459 1.713 20 0 EDADMP Nc1ccncc1C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000275726077 273122532 /nfs/dbraw/zinc/12/25/32/273122532.db2.gz WTHRRUOEUGYKSE-UHFFFAOYSA-N 2 1 343.406 1.355 20 0 EDADMP CC(C)(C)OC(=O)N1CCC([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC000177245256 272940220 /nfs/dbraw/zinc/94/02/20/272940220.db2.gz OSYWRAQRDLSNTJ-UHFFFAOYSA-N 2 1 341.496 1.822 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000277267852 273185189 /nfs/dbraw/zinc/18/51/89/273185189.db2.gz MFEPWMKZNPWIPS-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000277267852 273185190 /nfs/dbraw/zinc/18/51/90/273185190.db2.gz MFEPWMKZNPWIPS-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278930163 273273013 /nfs/dbraw/zinc/27/30/13/273273013.db2.gz IZTIFHVRGPPMSP-UONOGXRCSA-N 2 1 348.472 1.704 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000284055892 274063631 /nfs/dbraw/zinc/06/36/31/274063631.db2.gz JVHDGQHSQNZTFI-UXHICEINSA-N 2 1 347.503 1.540 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000284755765 274319855 /nfs/dbraw/zinc/31/98/55/274319855.db2.gz FUNNEBXMIOWENE-BHIYHBOVSA-N 2 1 344.503 1.117 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000284755765 274319857 /nfs/dbraw/zinc/31/98/57/274319857.db2.gz FUNNEBXMIOWENE-BHIYHBOVSA-N 2 1 344.503 1.117 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000284755765 274319858 /nfs/dbraw/zinc/31/98/58/274319858.db2.gz FUNNEBXMIOWENE-BHIYHBOVSA-N 2 1 344.503 1.117 20 0 EDADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000422797621 275746267 /nfs/dbraw/zinc/74/62/67/275746267.db2.gz NQOSSLUEAHRVKD-YJBOKZPZSA-N 2 1 332.492 1.562 20 0 EDADMP CCC[C@H](C(=O)N1CCC([NH+]2CCN(CCC)CC2)CC1)[NH+](C)C ZINC000367194217 276281462 /nfs/dbraw/zinc/28/14/62/276281462.db2.gz AVHIXQONIIVELH-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP CC[C@H](CNS(C)(=O)=O)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449443857 276626546 /nfs/dbraw/zinc/62/65/46/276626546.db2.gz WHINYVULFISNGT-UXLLHSPISA-N 2 1 345.553 1.947 20 0 EDADMP COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000363532385 277062076 /nfs/dbraw/zinc/06/20/76/277062076.db2.gz JFOXNWWHORVVJF-HOTGVXAUSA-N 2 1 339.480 1.252 20 0 EDADMP COC(=O)CNC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000363532385 277062077 /nfs/dbraw/zinc/06/20/77/277062077.db2.gz JFOXNWWHORVVJF-HOTGVXAUSA-N 2 1 339.480 1.252 20 0 EDADMP COC(=O)CNC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000363532385 277062078 /nfs/dbraw/zinc/06/20/78/277062078.db2.gz JFOXNWWHORVVJF-HOTGVXAUSA-N 2 1 339.480 1.252 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NCCCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000417943853 277166729 /nfs/dbraw/zinc/16/67/29/277166729.db2.gz PHRVQFUQXSNNSF-ROUUACIJSA-N 2 1 345.491 1.026 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccccc1 ZINC000340090977 277167520 /nfs/dbraw/zinc/16/75/20/277167520.db2.gz VLPZBZOKTBXPFI-NJAFHUGGSA-N 2 1 328.460 1.968 20 0 EDADMP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]1c1ccccc1 ZINC000340090977 277167521 /nfs/dbraw/zinc/16/75/21/277167521.db2.gz VLPZBZOKTBXPFI-NJAFHUGGSA-N 2 1 328.460 1.968 20 0 EDADMP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]1c1ccccc1 ZINC000340090977 277167522 /nfs/dbraw/zinc/16/75/22/277167522.db2.gz VLPZBZOKTBXPFI-NJAFHUGGSA-N 2 1 328.460 1.968 20 0 EDADMP CC(C)(CNC(=O)C[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000269241186 277300184 /nfs/dbraw/zinc/30/01/84/277300184.db2.gz QWOQTHKUJQBUHW-QGZVFWFLSA-N 2 1 331.460 1.318 20 0 EDADMP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000375741155 277354190 /nfs/dbraw/zinc/35/41/90/277354190.db2.gz CNZPTGATTULWON-WMRANVBESA-N 2 1 335.492 1.331 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000125828350 277399109 /nfs/dbraw/zinc/39/91/09/277399109.db2.gz IQUNXFPYMCBQAU-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000125828350 277399110 /nfs/dbraw/zinc/39/91/10/277399110.db2.gz IQUNXFPYMCBQAU-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000125828350 277399111 /nfs/dbraw/zinc/39/91/11/277399111.db2.gz IQUNXFPYMCBQAU-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC000347190789 278289521 /nfs/dbraw/zinc/28/95/21/278289521.db2.gz HYFNZMSYXZLLHW-IRXDYDNUSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC000347190789 278289522 /nfs/dbraw/zinc/28/95/22/278289522.db2.gz HYFNZMSYXZLLHW-IRXDYDNUSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000347190789 278289523 /nfs/dbraw/zinc/28/95/23/278289523.db2.gz HYFNZMSYXZLLHW-IRXDYDNUSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000347190789 278289524 /nfs/dbraw/zinc/28/95/24/278289524.db2.gz HYFNZMSYXZLLHW-IRXDYDNUSA-N 2 1 345.487 1.348 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@@H]2C)CC1 ZINC000357608221 278803762 /nfs/dbraw/zinc/80/37/62/278803762.db2.gz LZYJDEZHXBZGEK-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C1)C2 ZINC000346277526 279162020 /nfs/dbraw/zinc/16/20/20/279162020.db2.gz UHPMTILJEIBTQD-YQYZPQCESA-N 2 1 330.476 1.943 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C1)C2 ZINC000346277526 279162021 /nfs/dbraw/zinc/16/20/21/279162021.db2.gz UHPMTILJEIBTQD-YQYZPQCESA-N 2 1 330.476 1.943 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCCC1 ZINC000362885374 279229752 /nfs/dbraw/zinc/22/97/52/279229752.db2.gz ONTWADBWVRWYPN-IAGOWNOFSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCCC1 ZINC000362885374 279229755 /nfs/dbraw/zinc/22/97/55/279229755.db2.gz ONTWADBWVRWYPN-IAGOWNOFSA-N 2 1 336.524 1.536 20 0 EDADMP CC[NH+]1CCC([NH2+][C@H]2CCC(=O)N(C3CC3)[C@H]2c2cncn2C)CC1 ZINC000344861496 279262491 /nfs/dbraw/zinc/26/24/91/279262491.db2.gz ZGHXGGQRBWHESJ-QFBILLFUSA-N 2 1 345.491 1.689 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000357795081 279270479 /nfs/dbraw/zinc/27/04/79/279270479.db2.gz IMSCIHWQUXLKBE-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000357795081 279270484 /nfs/dbraw/zinc/27/04/84/279270484.db2.gz IMSCIHWQUXLKBE-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCOC1 ZINC000074131965 279302725 /nfs/dbraw/zinc/30/27/25/279302725.db2.gz BIJPDBLMWPTWTP-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCOC1CC([N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000286983874 288130679 /nfs/dbraw/zinc/13/06/79/288130679.db2.gz OXXXIQYHRLFEAI-DAWZGUTISA-N 2 1 333.476 1.905 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCCO1 ZINC000418123504 288162600 /nfs/dbraw/zinc/16/26/00/288162600.db2.gz ZCSWUGHBULKXAW-OWCLPIDISA-N 2 1 326.485 1.304 20 0 EDADMP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000366407058 280021444 /nfs/dbraw/zinc/02/14/44/280021444.db2.gz DDKCXCZVUCNGHM-GJZGRUSLSA-N 2 1 329.448 1.304 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248214654 280141738 /nfs/dbraw/zinc/14/17/38/280141738.db2.gz FSQBMYYFSWTETL-BFYDXBDKSA-N 2 1 325.497 1.673 20 0 EDADMP C[C@@H](CCCC[NH3+])NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000292049115 289248467 /nfs/dbraw/zinc/24/84/67/289248467.db2.gz IXRRYLVNCAOKSW-WMZOPIPTSA-N 2 1 333.476 1.911 20 0 EDADMP C[C@@H](CCCC[NH3+])NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000292049115 289248471 /nfs/dbraw/zinc/24/84/71/289248471.db2.gz IXRRYLVNCAOKSW-WMZOPIPTSA-N 2 1 333.476 1.911 20 0 EDADMP C[C@H](C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000365324679 289286809 /nfs/dbraw/zinc/28/68/09/289286809.db2.gz FVMNOOXUBBHIQR-XMTFNYHQSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@H](C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000365324679 289286810 /nfs/dbraw/zinc/28/68/10/289286810.db2.gz FVMNOOXUBBHIQR-XMTFNYHQSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@H](C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000365324679 289286811 /nfs/dbraw/zinc/28/68/11/289286811.db2.gz FVMNOOXUBBHIQR-XMTFNYHQSA-N 2 1 336.524 1.486 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cn2cc[nH+]c12 ZINC000293158960 289537473 /nfs/dbraw/zinc/53/74/73/289537473.db2.gz WNQBBXUMSGMEPZ-UHFFFAOYSA-N 2 1 343.431 1.573 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H](C)O1 ZINC000333857194 297015814 /nfs/dbraw/zinc/01/58/14/297015814.db2.gz RFDCYUUQQVVTBU-NCOADZHNSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000365146733 297014262 /nfs/dbraw/zinc/01/42/62/297014262.db2.gz OHXJKQSQLJXKBU-INMHGKMJSA-N 2 1 338.496 1.364 20 0 EDADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+]([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000333839720 295303059 /nfs/dbraw/zinc/30/30/59/295303059.db2.gz KXOJUMZXPGMHDT-RDBSUJKOSA-N 2 1 349.397 1.368 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000362942969 298158974 /nfs/dbraw/zinc/15/89/74/298158974.db2.gz RSRHYCQNNJBPFW-MDMSPXHWSA-N 2 1 337.508 1.865 20 0 EDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414965300 298876335 /nfs/dbraw/zinc/87/63/35/298876335.db2.gz FLIFCFZULKEYDM-QLFBSQMISA-N 3 1 336.446 1.723 20 0 EDADMP Cn1cc([C@@H]2[C@@H](CNC(=O)NC3CC[NH+](C)CC3)CCC[N@H+]2C)cn1 ZINC000377713062 447310618 /nfs/dbraw/zinc/31/06/18/447310618.db2.gz RPVZCHWAHOUQFW-PBHICJAKSA-N 2 1 348.495 1.196 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000664538940 453179023 /nfs/dbraw/zinc/17/90/23/453179023.db2.gz KKBIYYFZGOGYNS-UHFFFAOYSA-N 2 1 341.544 1.432 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000651195079 453347058 /nfs/dbraw/zinc/34/70/58/453347058.db2.gz AZKNZOCMRVISGK-INIZCTEOSA-N 2 1 342.528 1.451 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000651195079 453347074 /nfs/dbraw/zinc/34/70/74/453347074.db2.gz AZKNZOCMRVISGK-INIZCTEOSA-N 2 1 342.528 1.451 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000651195079 453347081 /nfs/dbraw/zinc/34/70/81/453347081.db2.gz AZKNZOCMRVISGK-INIZCTEOSA-N 2 1 342.528 1.451 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000651196673 453352266 /nfs/dbraw/zinc/35/22/66/453352266.db2.gz IRHYALMALBHBTD-MRXNPFEDSA-N 2 1 328.501 1.110 20 0 EDADMP COCCOC[C@H](O)C[N@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000294989045 303159908 /nfs/dbraw/zinc/15/99/08/303159908.db2.gz QDMYNFNTUUNCPK-DLBZAZTESA-N 2 1 347.459 1.833 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2cc(C)c3nccn3c2)CC[N@H+]1C[C@H](C)O ZINC000296747637 303335524 /nfs/dbraw/zinc/33/55/24/303335524.db2.gz DKGLUJAAZNGVPY-GOEBONIOSA-N 2 1 345.447 1.952 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2cc(C)c3nccn3c2)CCN1C[C@H](C)O ZINC000296747637 303335525 /nfs/dbraw/zinc/33/55/25/303335525.db2.gz DKGLUJAAZNGVPY-GOEBONIOSA-N 2 1 345.447 1.952 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000372877322 447331788 /nfs/dbraw/zinc/33/17/88/447331788.db2.gz KOLKEYOYHQYUHJ-YIOZNXECSA-N 2 1 337.508 1.709 20 0 EDADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OCC(=O)N1CCCC1 ZINC000414882882 447342419 /nfs/dbraw/zinc/34/24/19/447342419.db2.gz UUTVVXWFZUEHLP-UHFFFAOYSA-N 2 1 347.459 1.667 20 0 EDADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422720333 304879127 /nfs/dbraw/zinc/87/91/27/304879127.db2.gz SIJWZNWUHSLHAK-SJORKVTESA-N 2 1 332.496 1.096 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C[C@@H]1[NH3+] ZINC000423990375 304923146 /nfs/dbraw/zinc/92/31/46/304923146.db2.gz ZHWQPVWQGKUMFT-BORJPKMPSA-N 2 1 331.460 1.715 20 0 EDADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430609206 305058649 /nfs/dbraw/zinc/05/86/49/305058649.db2.gz HIIXDMYHLLMUKD-HZPDHXFCSA-N 2 1 346.475 1.417 20 0 EDADMP Cc1cc(C)c(NC(=O)CNC(=O)C[NH+]2CCC(C[NH3+])CC2)c(C)c1 ZINC000430611086 305058752 /nfs/dbraw/zinc/05/87/52/305058752.db2.gz NBBNYLXEXUBYOG-UHFFFAOYSA-N 2 1 346.475 1.337 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000430617578 305059291 /nfs/dbraw/zinc/05/92/91/305059291.db2.gz NOKVSEPREAFIIW-GDBMZVCRSA-N 2 1 332.448 1.604 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000430617578 305059292 /nfs/dbraw/zinc/05/92/92/305059292.db2.gz NOKVSEPREAFIIW-GDBMZVCRSA-N 2 1 332.448 1.604 20 0 EDADMP COc1cccc(CCC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430642913 305061096 /nfs/dbraw/zinc/06/10/96/305061096.db2.gz PZGQNYZCIFMJPG-SFHVURJKSA-N 2 1 345.487 1.772 20 0 EDADMP Cc1c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000430742237 305063734 /nfs/dbraw/zinc/06/37/34/305063734.db2.gz KYJNZQYTQPOTBG-KBPBESRZSA-N 2 1 348.495 1.504 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430944845 305069896 /nfs/dbraw/zinc/06/98/96/305069896.db2.gz VAQCWVLYPMPESZ-IIDMSEBBSA-N 2 1 348.466 1.532 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430944845 305069897 /nfs/dbraw/zinc/06/98/97/305069897.db2.gz VAQCWVLYPMPESZ-IIDMSEBBSA-N 2 1 348.466 1.532 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OCC(=O)N3CCCC3)C[C@@H]12 ZINC000435385757 305139508 /nfs/dbraw/zinc/13/95/08/305139508.db2.gz UAHJQTQBGJSPMJ-CGTJXYLNSA-N 2 1 343.471 1.857 20 0 EDADMP c1ccc(C[N@@H+](CCCN2CCOCC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435618388 305143449 /nfs/dbraw/zinc/14/34/49/305143449.db2.gz QOFRFKUTBMMREC-LJQANCHMSA-N 2 1 332.492 1.748 20 0 EDADMP c1ccc(C[N@H+](CCCN2CCOCC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435618388 305143450 /nfs/dbraw/zinc/14/34/50/305143450.db2.gz QOFRFKUTBMMREC-LJQANCHMSA-N 2 1 332.492 1.748 20 0 EDADMP CC[N@H+](CC(=O)NC(=O)NCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435630181 305144190 /nfs/dbraw/zinc/14/41/90/305144190.db2.gz WBIMJRPDIFNNKX-MRXNPFEDSA-N 2 1 332.448 1.476 20 0 EDADMP CC[N@@H+](CC(=O)NC(=O)NCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435630181 305144191 /nfs/dbraw/zinc/14/41/91/305144191.db2.gz WBIMJRPDIFNNKX-MRXNPFEDSA-N 2 1 332.448 1.476 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000436139752 305152936 /nfs/dbraw/zinc/15/29/36/305152936.db2.gz FOWFBHAOEWKICM-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000436139752 305152937 /nfs/dbraw/zinc/15/29/37/305152937.db2.gz FOWFBHAOEWKICM-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000436139752 305152938 /nfs/dbraw/zinc/15/29/38/305152938.db2.gz FOWFBHAOEWKICM-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000440512375 305208753 /nfs/dbraw/zinc/20/87/53/305208753.db2.gz KHYDQROXMRIBRV-UYAOXDASSA-N 2 1 345.487 1.614 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440512375 305208754 /nfs/dbraw/zinc/20/87/54/305208754.db2.gz KHYDQROXMRIBRV-UYAOXDASSA-N 2 1 345.487 1.614 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440512375 305208755 /nfs/dbraw/zinc/20/87/55/305208755.db2.gz KHYDQROXMRIBRV-UYAOXDASSA-N 2 1 345.487 1.614 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC[N@H+]1C ZINC000442144581 305226055 /nfs/dbraw/zinc/22/60/55/305226055.db2.gz IGPIPDKLUJEOMP-PBHICJAKSA-N 2 1 346.475 1.328 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C[C@@H](C)C2)C1 ZINC000443639782 305240323 /nfs/dbraw/zinc/24/03/23/305240323.db2.gz LOVCLITXJREDGM-KZNAEPCWSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)C1 ZINC000443639782 305240324 /nfs/dbraw/zinc/24/03/24/305240324.db2.gz LOVCLITXJREDGM-KZNAEPCWSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)C1 ZINC000443639782 305240325 /nfs/dbraw/zinc/24/03/25/305240325.db2.gz LOVCLITXJREDGM-KZNAEPCWSA-N 2 1 339.524 1.827 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000446270430 305262222 /nfs/dbraw/zinc/26/22/22/305262222.db2.gz SHCSSSHOESNDGI-ZOBUZTSGSA-N 2 1 331.460 1.522 20 0 EDADMP CC[C@H]1CN(C(=O)NCC2([NH+](C)C)CCC2)CC[N@H+]1CCOC ZINC000446613541 305267945 /nfs/dbraw/zinc/26/79/45/305267945.db2.gz GUELQNFFVSXSSY-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000446889784 305271465 /nfs/dbraw/zinc/27/14/65/305271465.db2.gz CJOBEKRPZDYJKN-ZWKOTPCHSA-N 2 1 329.448 1.374 20 0 EDADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000446889784 305271466 /nfs/dbraw/zinc/27/14/66/305271466.db2.gz CJOBEKRPZDYJKN-ZWKOTPCHSA-N 2 1 329.448 1.374 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000447657509 305283673 /nfs/dbraw/zinc/28/36/73/305283673.db2.gz SUAFQUZCHITEDC-UHFFFAOYSA-N 2 1 325.497 1.676 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000447657509 305283674 /nfs/dbraw/zinc/28/36/74/305283674.db2.gz SUAFQUZCHITEDC-UHFFFAOYSA-N 2 1 325.497 1.676 20 0 EDADMP CC[C@H]1CN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000449348235 305312174 /nfs/dbraw/zinc/31/21/74/305312174.db2.gz KSIBNDBRUSMHLY-AZUAARDMSA-N 2 1 345.487 1.487 20 0 EDADMP CC[C@H]1CN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC[N@H+]1CCOC ZINC000449348235 305312175 /nfs/dbraw/zinc/31/21/75/305312175.db2.gz KSIBNDBRUSMHLY-AZUAARDMSA-N 2 1 345.487 1.487 20 0 EDADMP CC[C@H](C(=O)NC[C@H]1CCC[NH+]1CCCO)[N@@H+](C)Cc1ccccc1 ZINC000452365117 305393230 /nfs/dbraw/zinc/39/32/30/305393230.db2.gz NIMLJQXFNKUUGA-RTBURBONSA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+](C)Cc1ccccc1 ZINC000452365117 305393231 /nfs/dbraw/zinc/39/32/31/305393231.db2.gz NIMLJQXFNKUUGA-RTBURBONSA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+](C)Cc1ccccc1 ZINC000452365117 305393232 /nfs/dbraw/zinc/39/32/32/305393232.db2.gz NIMLJQXFNKUUGA-RTBURBONSA-N 2 1 347.503 1.860 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000457537358 305490735 /nfs/dbraw/zinc/49/07/35/305490735.db2.gz VYSBGLIGTAEQGD-UHFFFAOYSA-N 2 1 330.432 1.838 20 0 EDADMP CCCN(C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000515221388 305717288 /nfs/dbraw/zinc/71/72/88/305717288.db2.gz MUYGQEKUBPKSAM-HRCADAONSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000515307052 305718530 /nfs/dbraw/zinc/71/85/30/305718530.db2.gz ULXCFEDIYCNIEY-IAGOWNOFSA-N 2 1 345.491 1.248 20 0 EDADMP CN(CCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000515378519 305720366 /nfs/dbraw/zinc/72/03/66/305720366.db2.gz UNGZWTFQVJYXRY-UHFFFAOYSA-N 2 1 344.503 1.753 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000519209020 305767770 /nfs/dbraw/zinc/76/77/70/305767770.db2.gz YUGGCUBTZDCKNS-UHFFFAOYSA-N 2 1 335.452 1.136 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CCN(C)c2cc[nH+]cc2)C[C@H](C)O1 ZINC000543715609 306067789 /nfs/dbraw/zinc/06/77/89/306067789.db2.gz AHJAIPDDGAVCOU-IYBDPMFKSA-N 2 1 348.491 1.912 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CCN(C)c2cc[nH+]cc2)C[C@H](C)O1 ZINC000543715609 306067790 /nfs/dbraw/zinc/06/77/90/306067790.db2.gz AHJAIPDDGAVCOU-IYBDPMFKSA-N 2 1 348.491 1.912 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2cnccn2)C[C@@H]1c1ccccc1 ZINC000551029836 306155539 /nfs/dbraw/zinc/15/55/39/306155539.db2.gz AWCRYSXUBBFFIC-FUHWJXTLSA-N 2 1 339.443 1.632 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2cnccn2)C[C@@H]1c1ccccc1 ZINC000551029836 306155540 /nfs/dbraw/zinc/15/55/40/306155540.db2.gz AWCRYSXUBBFFIC-FUHWJXTLSA-N 2 1 339.443 1.632 20 0 EDADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000551412685 306158002 /nfs/dbraw/zinc/15/80/02/306158002.db2.gz APHJDSNBJADFDD-RBUKOAKNSA-N 2 1 347.503 1.718 20 0 EDADMP CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000551745589 306161133 /nfs/dbraw/zinc/16/11/33/306161133.db2.gz UCGICMSCBQTJGV-KRWDZBQOSA-N 2 1 346.475 1.282 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000551745589 306161134 /nfs/dbraw/zinc/16/11/34/306161134.db2.gz UCGICMSCBQTJGV-KRWDZBQOSA-N 2 1 346.475 1.282 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@H+]1C1CC1 ZINC000414945771 447367748 /nfs/dbraw/zinc/36/77/48/447367748.db2.gz SCRVZTKHAMUDBP-BLLLJJGKSA-N 2 1 342.443 1.012 20 0 EDADMP O=C(CCc1ncc[nH]1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000554499309 306193270 /nfs/dbraw/zinc/19/32/70/306193270.db2.gz NFWINIKKPXQQQL-UHFFFAOYSA-N 2 1 327.432 1.281 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000556749380 306215386 /nfs/dbraw/zinc/21/53/86/306215386.db2.gz PMYRXJZPWAEZIT-KRWDZBQOSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000557135567 306224640 /nfs/dbraw/zinc/22/46/40/306224640.db2.gz JJOITGSUYVWHBW-FCLJQHQZSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000557133930 306224715 /nfs/dbraw/zinc/22/47/15/306224715.db2.gz HIFHMJJJGDARMS-ARFHVFGLSA-N 2 1 326.485 1.160 20 0 EDADMP CCC[NH2+]CCNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000414957027 447373456 /nfs/dbraw/zinc/37/34/56/447373456.db2.gz BFKWMESNXSZVHF-UHFFFAOYSA-N 2 1 334.464 1.682 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@H]1CCn2ccnc2C1)CCC(F)(F)F ZINC000426010114 447377666 /nfs/dbraw/zinc/37/76/66/447377666.db2.gz JNBNBZJVKQWNPG-LBPRGKRZSA-N 2 1 347.385 1.771 20 0 EDADMP Cc1nc(COc2ccc(C[N@@H+]3CCCO[C@@H](C[NH3+])C3)cc2)no1 ZINC000415109753 447389014 /nfs/dbraw/zinc/38/90/14/447389014.db2.gz MFCZAQJRHDPBFK-INIZCTEOSA-N 2 1 332.404 1.507 20 0 EDADMP Cc1nc(COc2ccc(C[N@H+]3CCCO[C@@H](C[NH3+])C3)cc2)no1 ZINC000415109753 447389019 /nfs/dbraw/zinc/38/90/19/447389019.db2.gz MFCZAQJRHDPBFK-INIZCTEOSA-N 2 1 332.404 1.507 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCC[NH+](C)[C@H]1C ZINC000426210184 447399234 /nfs/dbraw/zinc/39/92/34/447399234.db2.gz LBVGRJZKHNOLLO-VYDXJSESSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000426210184 447399239 /nfs/dbraw/zinc/39/92/39/447399239.db2.gz LBVGRJZKHNOLLO-VYDXJSESSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000426210184 447399243 /nfs/dbraw/zinc/39/92/43/447399243.db2.gz LBVGRJZKHNOLLO-VYDXJSESSA-N 2 1 338.496 1.364 20 0 EDADMP CC(C)COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378424419 447426634 /nfs/dbraw/zinc/42/66/34/447426634.db2.gz DWFGQCCSCYITQB-MSOLQXFVSA-N 2 1 327.513 1.120 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000426390198 447433410 /nfs/dbraw/zinc/43/34/10/447433410.db2.gz IFDMCTCORLGCCM-QZTJIDSGSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426390198 447433414 /nfs/dbraw/zinc/43/34/14/447433414.db2.gz IFDMCTCORLGCCM-QZTJIDSGSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426390198 447433419 /nfs/dbraw/zinc/43/34/19/447433419.db2.gz IFDMCTCORLGCCM-QZTJIDSGSA-N 2 1 334.508 1.242 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000105103731 441233284 /nfs/dbraw/zinc/23/32/84/441233284.db2.gz XDWKAEMJCJVBFA-HOCLYGCPSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000105103731 441233288 /nfs/dbraw/zinc/23/32/88/441233288.db2.gz XDWKAEMJCJVBFA-HOCLYGCPSA-N 2 1 326.485 1.125 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000081255892 441245203 /nfs/dbraw/zinc/24/52/03/441245203.db2.gz DFXQJVCUBCVFNK-IRXDYDNUSA-N 2 1 325.497 1.580 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000081255892 441245206 /nfs/dbraw/zinc/24/52/06/441245206.db2.gz DFXQJVCUBCVFNK-IRXDYDNUSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)[NH+]1CCc2ccccc2C1 ZINC000072886830 441273095 /nfs/dbraw/zinc/27/30/95/441273095.db2.gz KRXQKZWVOROBFJ-OALUTQOASA-N 2 1 345.487 1.660 20 0 EDADMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)[NH+]1CCc2ccccc2C1 ZINC000072886830 441273099 /nfs/dbraw/zinc/27/30/99/441273099.db2.gz KRXQKZWVOROBFJ-OALUTQOASA-N 2 1 345.487 1.660 20 0 EDADMP CC[C@@H](CNC(=O)[C@@H]1C[NH+](CC)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000072886830 441273101 /nfs/dbraw/zinc/27/31/01/441273101.db2.gz KRXQKZWVOROBFJ-OALUTQOASA-N 2 1 345.487 1.660 20 0 EDADMP CC[C@@H](CNC(=O)[C@@H]1C[NH+](CC)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000072886830 441273105 /nfs/dbraw/zinc/27/31/05/441273105.db2.gz KRXQKZWVOROBFJ-OALUTQOASA-N 2 1 345.487 1.660 20 0 EDADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COCc2ccc(OC)cc2)CC1 ZINC000106388599 441336389 /nfs/dbraw/zinc/33/63/89/441336389.db2.gz IXBVXMDULCSMMI-SFHVURJKSA-N 2 1 336.476 1.989 20 0 EDADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COCc2ccc(OC)cc2)CC1 ZINC000106388599 441336394 /nfs/dbraw/zinc/33/63/94/441336394.db2.gz IXBVXMDULCSMMI-SFHVURJKSA-N 2 1 336.476 1.989 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000083695682 441367645 /nfs/dbraw/zinc/36/76/45/441367645.db2.gz YCANWKZKXISOMT-AWEZNQCLSA-N 2 1 336.484 1.550 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000083695682 441367648 /nfs/dbraw/zinc/36/76/48/441367648.db2.gz YCANWKZKXISOMT-AWEZNQCLSA-N 2 1 336.484 1.550 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)n1C ZINC000083726491 441370798 /nfs/dbraw/zinc/37/07/98/441370798.db2.gz BTQGQQJISYFENH-CQSZACIVSA-N 2 1 338.500 1.652 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107844923 441432300 /nfs/dbraw/zinc/43/23/00/441432300.db2.gz FOHCTZCVMUFCMA-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP COCCCNC(=O)C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000052184625 441438037 /nfs/dbraw/zinc/43/80/37/441438037.db2.gz YOKUEXUUMOFUIO-UHFFFAOYSA-N 2 1 325.497 1.583 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000074832405 441470736 /nfs/dbraw/zinc/47/07/36/441470736.db2.gz VVLABCRXJMREHP-UHFFFAOYSA-N 2 1 342.528 1.857 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CCOC)CC1 ZINC000108931367 441480893 /nfs/dbraw/zinc/48/08/93/441480893.db2.gz JPKSWECKZMHYTE-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CCOC)CC1 ZINC000108931367 441480896 /nfs/dbraw/zinc/48/08/96/441480896.db2.gz JPKSWECKZMHYTE-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CCC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)CC1CC1 ZINC000052891099 441484234 /nfs/dbraw/zinc/48/42/34/441484234.db2.gz HVLKJCUSYLWOIP-QGZVFWFLSA-N 2 1 325.497 1.581 20 0 EDADMP CCC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)CC1CC1 ZINC000052891099 441484235 /nfs/dbraw/zinc/48/42/35/441484235.db2.gz HVLKJCUSYLWOIP-QGZVFWFLSA-N 2 1 325.497 1.581 20 0 EDADMP CCC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)CC1CC1 ZINC000052891099 441484239 /nfs/dbraw/zinc/48/42/39/441484239.db2.gz HVLKJCUSYLWOIP-QGZVFWFLSA-N 2 1 325.497 1.581 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000052591688 441462810 /nfs/dbraw/zinc/46/28/10/441462810.db2.gz POUYMHWKKCGOSB-SFHVURJKSA-N 2 1 330.476 1.916 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000052591688 441462816 /nfs/dbraw/zinc/46/28/16/441462816.db2.gz POUYMHWKKCGOSB-SFHVURJKSA-N 2 1 330.476 1.916 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000108562707 441464900 /nfs/dbraw/zinc/46/49/00/441464900.db2.gz CGHPZHLEXBOPML-MRXNPFEDSA-N 2 1 348.516 1.890 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000108562707 441464901 /nfs/dbraw/zinc/46/49/01/441464901.db2.gz CGHPZHLEXBOPML-MRXNPFEDSA-N 2 1 348.516 1.890 20 0 EDADMP O=C(NCC[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108562707 441464903 /nfs/dbraw/zinc/46/49/03/441464903.db2.gz CGHPZHLEXBOPML-MRXNPFEDSA-N 2 1 348.516 1.890 20 0 EDADMP O=C(NCC[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108562707 441464905 /nfs/dbraw/zinc/46/49/05/441464905.db2.gz CGHPZHLEXBOPML-MRXNPFEDSA-N 2 1 348.516 1.890 20 0 EDADMP C[NH+]1CCN(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000109930957 441511663 /nfs/dbraw/zinc/51/16/63/441511663.db2.gz QDXMXTDBDICDHQ-HNNXBMFYSA-N 2 1 336.505 1.249 20 0 EDADMP CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000066898330 441581672 /nfs/dbraw/zinc/58/16/72/441581672.db2.gz JAJVGLCSYLQAPP-INMHGKMJSA-N 2 1 325.497 1.721 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH+]3CCCC[C@@H]3CO2)C[N@@H+]1C1CC1 ZINC000090610759 441637967 /nfs/dbraw/zinc/63/79/67/441637967.db2.gz AJEXAKVTPUKSTM-YALNPMBYSA-N 2 1 336.480 1.164 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH+]3CCCC[C@@H]3CO2)C[N@H+]1C1CC1 ZINC000090610759 441637969 /nfs/dbraw/zinc/63/79/69/441637969.db2.gz AJEXAKVTPUKSTM-YALNPMBYSA-N 2 1 336.480 1.164 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)C[NH+]1C1CC1 ZINC000090610759 441637970 /nfs/dbraw/zinc/63/79/70/441637970.db2.gz AJEXAKVTPUKSTM-YALNPMBYSA-N 2 1 336.480 1.164 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)C[NH+]1C1CC1 ZINC000090610759 441637972 /nfs/dbraw/zinc/63/79/72/441637972.db2.gz AJEXAKVTPUKSTM-YALNPMBYSA-N 2 1 336.480 1.164 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000114455471 441658031 /nfs/dbraw/zinc/65/80/31/441658031.db2.gz INRVRDCNSAMHGY-OAHLLOKOSA-N 2 1 333.480 1.578 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000114455471 441658035 /nfs/dbraw/zinc/65/80/35/441658035.db2.gz INRVRDCNSAMHGY-OAHLLOKOSA-N 2 1 333.480 1.578 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000042056643 441700725 /nfs/dbraw/zinc/70/07/25/441700725.db2.gz NLRHMBCLODPSAD-IAGOWNOFSA-N 2 1 344.459 1.430 20 0 EDADMP C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000137451572 441770511 /nfs/dbraw/zinc/77/05/11/441770511.db2.gz QVBVPURGCREHNW-LMMKCTJWSA-N 2 1 344.503 1.402 20 0 EDADMP C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000137451572 441770516 /nfs/dbraw/zinc/77/05/16/441770516.db2.gz QVBVPURGCREHNW-LMMKCTJWSA-N 2 1 344.503 1.402 20 0 EDADMP CN(C)c1nc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000077488189 441791811 /nfs/dbraw/zinc/79/18/11/441791811.db2.gz DFXHHZNYQMZJMV-INIZCTEOSA-N 2 1 327.432 1.374 20 0 EDADMP CN(C)c1nc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000077488189 441791816 /nfs/dbraw/zinc/79/18/16/441791816.db2.gz DFXHHZNYQMZJMV-INIZCTEOSA-N 2 1 327.432 1.374 20 0 EDADMP COCCN1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000173645191 441813662 /nfs/dbraw/zinc/81/36/62/441813662.db2.gz ILOUAXRUXMSDQC-AWEZNQCLSA-N 2 1 335.448 1.723 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC[NH+](C)CC)c2C1 ZINC000118107650 441889191 /nfs/dbraw/zinc/88/91/91/441889191.db2.gz ICSPBDQFMQIVTQ-UHFFFAOYSA-N 2 1 332.448 1.419 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC[NH+](C)CC)c2C1 ZINC000118107650 441889194 /nfs/dbraw/zinc/88/91/94/441889194.db2.gz ICSPBDQFMQIVTQ-UHFFFAOYSA-N 2 1 332.448 1.419 20 0 EDADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC[N@H+](C)CC)c2C1 ZINC000118107650 441889196 /nfs/dbraw/zinc/88/91/96/441889196.db2.gz ICSPBDQFMQIVTQ-UHFFFAOYSA-N 2 1 332.448 1.419 20 0 EDADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC[N@@H+](C)CC)c2C1 ZINC000118107650 441889199 /nfs/dbraw/zinc/88/91/99/441889199.db2.gz ICSPBDQFMQIVTQ-UHFFFAOYSA-N 2 1 332.448 1.419 20 0 EDADMP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174718525 441956925 /nfs/dbraw/zinc/95/69/25/441956925.db2.gz VDOJHTBMFJLROI-KZNAEPCWSA-N 2 1 338.540 1.449 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCC(=O)OC(C)(C)C)CC1 ZINC000150878770 441966548 /nfs/dbraw/zinc/96/65/48/441966548.db2.gz PGWOFSLLQVMKRZ-UHFFFAOYSA-N 2 1 327.469 1.251 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCC(=O)OC(C)(C)C)CC1 ZINC000150878770 441966554 /nfs/dbraw/zinc/96/65/54/441966554.db2.gz PGWOFSLLQVMKRZ-UHFFFAOYSA-N 2 1 327.469 1.251 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c(C)n[nH]c3C)CC2)CC1 ZINC000119994341 441989895 /nfs/dbraw/zinc/98/98/95/441989895.db2.gz SBQVKHZCHVHXAF-UHFFFAOYSA-N 2 1 347.507 1.793 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000120485503 442079888 /nfs/dbraw/zinc/07/98/88/442079888.db2.gz BIFQRCKWQUYKCN-OAGGEKHMSA-N 2 1 328.501 1.515 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)[C@@H]2CCSC2)C1 ZINC000162619399 442109690 /nfs/dbraw/zinc/10/96/90/442109690.db2.gz MIROUWAUGKDIHV-JKSUJKDBSA-N 2 1 327.538 1.908 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000162619399 442109694 /nfs/dbraw/zinc/10/96/94/442109694.db2.gz MIROUWAUGKDIHV-JKSUJKDBSA-N 2 1 327.538 1.908 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000162619399 442109698 /nfs/dbraw/zinc/10/96/98/442109698.db2.gz MIROUWAUGKDIHV-JKSUJKDBSA-N 2 1 327.538 1.908 20 0 EDADMP CC(C)[C@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[NH+](C)C ZINC000151811158 442123859 /nfs/dbraw/zinc/12/38/59/442123859.db2.gz WIMMRLDSNAXMPV-FGTMMUONSA-N 2 1 338.540 1.590 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000175846003 442133862 /nfs/dbraw/zinc/13/38/62/442133862.db2.gz MLMWAFCAFBWAKP-WBVHZDCISA-N 2 1 331.464 1.850 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000175846003 442133866 /nfs/dbraw/zinc/13/38/66/442133866.db2.gz MLMWAFCAFBWAKP-WBVHZDCISA-N 2 1 331.464 1.850 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000162609661 442108731 /nfs/dbraw/zinc/10/87/31/442108731.db2.gz ZEVXIVSNOWZRPR-HNNXBMFYSA-N 2 1 328.482 1.185 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000162609661 442108739 /nfs/dbraw/zinc/10/87/39/442108739.db2.gz ZEVXIVSNOWZRPR-HNNXBMFYSA-N 2 1 328.482 1.185 20 0 EDADMP C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000152227893 442185408 /nfs/dbraw/zinc/18/54/08/442185408.db2.gz HMFTUWKIYJFBEL-GOSISDBHSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000152227893 442185412 /nfs/dbraw/zinc/18/54/12/442185412.db2.gz HMFTUWKIYJFBEL-GOSISDBHSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000163350457 442159967 /nfs/dbraw/zinc/15/99/67/442159967.db2.gz NPYAEDSWKHYMAN-ZHALLVOQSA-N 2 1 344.503 1.654 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000163350457 442159969 /nfs/dbraw/zinc/15/99/69/442159969.db2.gz NPYAEDSWKHYMAN-ZHALLVOQSA-N 2 1 344.503 1.654 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000166126046 442214339 /nfs/dbraw/zinc/21/43/39/442214339.db2.gz XTNNNSPZQXKKPC-QAPCUYQASA-N 2 1 331.460 1.666 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000166126046 442214341 /nfs/dbraw/zinc/21/43/41/442214341.db2.gz XTNNNSPZQXKKPC-QAPCUYQASA-N 2 1 331.460 1.666 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000167703299 442222192 /nfs/dbraw/zinc/22/21/92/442222192.db2.gz OTXVZMJJQOFVPD-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000167699490 442222295 /nfs/dbraw/zinc/22/22/95/442222295.db2.gz NISOLYYGLHGTJN-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1 ZINC000127915250 442233053 /nfs/dbraw/zinc/23/30/53/442233053.db2.gz OAJGGHRKDQCTBH-MSOLQXFVSA-N 2 1 331.460 1.731 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1 ZINC000127915250 442233057 /nfs/dbraw/zinc/23/30/57/442233057.db2.gz OAJGGHRKDQCTBH-MSOLQXFVSA-N 2 1 331.460 1.731 20 0 EDADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154341227 442333913 /nfs/dbraw/zinc/33/39/13/442333913.db2.gz ZVRPGACGJBOYQU-ZFWWWQNUSA-N 2 1 341.883 1.589 20 0 EDADMP C[C@@H](CNC(=O)C1CC[NH+](Cc2nccn2C)CC1)[N@H+](C)C1CC1 ZINC000171105251 442313118 /nfs/dbraw/zinc/31/31/18/442313118.db2.gz ILSUXIKRRCCODX-AWEZNQCLSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H](CNC(=O)C1CC[NH+](Cc2nccn2C)CC1)[N@@H+](C)C1CC1 ZINC000171105251 442313119 /nfs/dbraw/zinc/31/31/19/442313119.db2.gz ILSUXIKRRCCODX-AWEZNQCLSA-N 2 1 333.480 1.231 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)C2(C)CC2)C1 ZINC000177236098 442318056 /nfs/dbraw/zinc/31/80/56/442318056.db2.gz MTPWRQUZPIZNFN-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@@H](C)C2(C)CC2)C1 ZINC000177236098 442318059 /nfs/dbraw/zinc/31/80/59/442318059.db2.gz MTPWRQUZPIZNFN-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@@H](C)C2(C)CC2)C1 ZINC000177236098 442318061 /nfs/dbraw/zinc/31/80/61/442318061.db2.gz MTPWRQUZPIZNFN-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CCC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC000131089253 442364321 /nfs/dbraw/zinc/36/43/21/442364321.db2.gz RZHOINIAZXSIFV-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC000131089253 442364323 /nfs/dbraw/zinc/36/43/23/442364323.db2.gz RZHOINIAZXSIFV-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171902953 442388628 /nfs/dbraw/zinc/38/86/28/442388628.db2.gz OTRFEXQAYDSTGC-QGZVFWFLSA-N 2 1 338.496 1.271 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCC[NH+]1CC(C)C ZINC000132771725 442399533 /nfs/dbraw/zinc/39/95/33/442399533.db2.gz FDSBCLXZUMIMDM-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000132771725 442399534 /nfs/dbraw/zinc/39/95/34/442399534.db2.gz FDSBCLXZUMIMDM-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000132771725 442399535 /nfs/dbraw/zinc/39/95/35/442399535.db2.gz FDSBCLXZUMIMDM-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NCC[NH+](C)C)c2)CCO1 ZINC000133527893 442422622 /nfs/dbraw/zinc/42/26/22/442422622.db2.gz HMDBOBPELYNGID-HNNXBMFYSA-N 2 1 334.464 1.268 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NCC[NH+](C)C)c2)CCO1 ZINC000133527893 442422624 /nfs/dbraw/zinc/42/26/24/442422624.db2.gz HMDBOBPELYNGID-HNNXBMFYSA-N 2 1 334.464 1.268 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)Cn2c(C)nc3ccccc32)C[C@H]1C ZINC000172225458 442425786 /nfs/dbraw/zinc/42/57/86/442425786.db2.gz XGSPFNPDBFIWJF-CQSZACIVSA-N 2 1 330.432 1.524 20 0 EDADMP COCC[N@H+]1CCN(C(=O)Cn2c(C)nc3ccccc32)C[C@H]1C ZINC000172225458 442425789 /nfs/dbraw/zinc/42/57/89/442425789.db2.gz XGSPFNPDBFIWJF-CQSZACIVSA-N 2 1 330.432 1.524 20 0 EDADMP COC[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000178701417 442458258 /nfs/dbraw/zinc/45/82/58/442458258.db2.gz YVMAHYOGESNXRY-ROUUACIJSA-N 2 1 328.497 1.720 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172422753 442458291 /nfs/dbraw/zinc/45/82/91/442458291.db2.gz MOKPACUNJYXMNA-UHFFFAOYSA-N 2 1 337.508 1.966 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172422753 442458296 /nfs/dbraw/zinc/45/82/96/442458296.db2.gz MOKPACUNJYXMNA-UHFFFAOYSA-N 2 1 337.508 1.966 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)n1 ZINC000156226649 442456881 /nfs/dbraw/zinc/45/68/81/442456881.db2.gz JJMGSYXZPMVMLZ-ZDUSSCGKSA-N 2 1 334.424 1.462 20 0 EDADMP C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000178823165 442495331 /nfs/dbraw/zinc/49/53/31/442495331.db2.gz OFVVNSHNRHAINV-OAHLLOKOSA-N 2 1 331.460 1.909 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000178826162 442495564 /nfs/dbraw/zinc/49/55/64/442495564.db2.gz DPOKXDSFRSCKFT-QFBILLFUSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000178826162 442495572 /nfs/dbraw/zinc/49/55/72/442495572.db2.gz DPOKXDSFRSCKFT-QFBILLFUSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000172624145 442508548 /nfs/dbraw/zinc/50/85/48/442508548.db2.gz SLMVEGJBIJKGAW-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP CC(C)[NH2+]C1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000179835751 442509253 /nfs/dbraw/zinc/50/92/53/442509253.db2.gz PVNPNJASIZRAHD-UHFFFAOYSA-N 2 1 332.496 1.191 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC([NH+](C)C)C3)cc2F)CC1 ZINC000134937366 442539456 /nfs/dbraw/zinc/53/94/56/442539456.db2.gz PBXUNRFCQVVUFC-UHFFFAOYSA-N 2 1 334.439 1.354 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000179008689 442550901 /nfs/dbraw/zinc/55/09/01/442550901.db2.gz ZDWKIJHCLYWLAX-JKSUJKDBSA-N 2 1 348.466 1.404 20 0 EDADMP CCCN(C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C1 ZINC000178900829 442519914 /nfs/dbraw/zinc/51/99/14/442519914.db2.gz IHWURFQJRKIGPS-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CCCN(C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C1 ZINC000178900829 442519920 /nfs/dbraw/zinc/51/99/20/442519920.db2.gz IHWURFQJRKIGPS-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1)N1CCOCC1 ZINC000179117708 442575938 /nfs/dbraw/zinc/57/59/38/442575938.db2.gz VZLUEXUEMYHDGZ-KRWDZBQOSA-N 2 1 346.475 1.446 20 0 EDADMP CC(C)(CNC(=O)C[N@H+]1CCC[C@H]1c1ccncc1)N1CCOCC1 ZINC000179117708 442575941 /nfs/dbraw/zinc/57/59/41/442575941.db2.gz VZLUEXUEMYHDGZ-KRWDZBQOSA-N 2 1 346.475 1.446 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])C2)cc(OC)c1 ZINC000192122446 442598007 /nfs/dbraw/zinc/59/80/07/442598007.db2.gz ASJIDLOOAZNWIZ-GZBFAFLISA-N 2 1 335.448 1.378 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])C2)cc(OC)c1 ZINC000192122446 442598011 /nfs/dbraw/zinc/59/80/11/442598011.db2.gz ASJIDLOOAZNWIZ-GZBFAFLISA-N 2 1 335.448 1.378 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000192756037 442683967 /nfs/dbraw/zinc/68/39/67/442683967.db2.gz VTHQINMWIVNCOT-ZWKOTPCHSA-N 2 1 325.497 1.282 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H](C)C2)C1 ZINC000187924156 442698263 /nfs/dbraw/zinc/69/82/63/442698263.db2.gz RPNQVJLCELAVSB-IAGOWNOFSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@@H](C)C2)C1 ZINC000187924156 442698264 /nfs/dbraw/zinc/69/82/64/442698264.db2.gz RPNQVJLCELAVSB-IAGOWNOFSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC[C@@H](C)C2)C1 ZINC000187924156 442698266 /nfs/dbraw/zinc/69/82/66/442698266.db2.gz RPNQVJLCELAVSB-IAGOWNOFSA-N 2 1 325.497 1.581 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000187948475 442700045 /nfs/dbraw/zinc/70/00/45/442700045.db2.gz YCIUIRBIQFEIRB-XOKHGSTOSA-N 2 1 333.432 1.395 20 0 EDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+](C)CC1 ZINC000188170398 442719829 /nfs/dbraw/zinc/71/98/29/442719829.db2.gz KDLHFGFJUVHVHZ-FQEVSTJZSA-N 2 1 345.487 1.424 20 0 EDADMP CCCN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000188105175 442712338 /nfs/dbraw/zinc/71/23/38/442712338.db2.gz QLBDCCGFLGIKCB-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246576396 442794123 /nfs/dbraw/zinc/79/41/23/442794123.db2.gz RWYKPIDTHRFHHI-RYRKJORJSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000246576396 442794127 /nfs/dbraw/zinc/79/41/27/442794127.db2.gz RWYKPIDTHRFHHI-RYRKJORJSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000246576396 442794130 /nfs/dbraw/zinc/79/41/30/442794130.db2.gz RWYKPIDTHRFHHI-RYRKJORJSA-N 2 1 334.508 1.987 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1C ZINC000182462358 442771009 /nfs/dbraw/zinc/77/10/09/442771009.db2.gz SBSRNDGDVWKGQE-CYBMUJFWSA-N 2 1 347.463 1.994 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000246384327 442777351 /nfs/dbraw/zinc/77/73/51/442777351.db2.gz RVSAMIBAQGLSKS-XHSDSOJGSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000246384327 442777354 /nfs/dbraw/zinc/77/73/54/442777354.db2.gz RVSAMIBAQGLSKS-XHSDSOJGSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000246384327 442777356 /nfs/dbraw/zinc/77/73/56/442777356.db2.gz RVSAMIBAQGLSKS-XHSDSOJGSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000193747388 442778759 /nfs/dbraw/zinc/77/87/59/442778759.db2.gz UATRUFDXOPNLJY-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000193747388 442778764 /nfs/dbraw/zinc/77/87/64/442778764.db2.gz UATRUFDXOPNLJY-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000193747388 442778768 /nfs/dbraw/zinc/77/87/68/442778768.db2.gz UATRUFDXOPNLJY-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000193747388 442778772 /nfs/dbraw/zinc/77/87/72/442778772.db2.gz UATRUFDXOPNLJY-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000193747406 442779025 /nfs/dbraw/zinc/77/90/25/442779025.db2.gz UATRUFDXOPNLJY-AWEZNQCLSA-N 2 1 344.459 1.419 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000193747406 442779030 /nfs/dbraw/zinc/77/90/30/442779030.db2.gz UATRUFDXOPNLJY-AWEZNQCLSA-N 2 1 344.459 1.419 20 0 EDADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000193747406 442779033 /nfs/dbraw/zinc/77/90/33/442779033.db2.gz UATRUFDXOPNLJY-AWEZNQCLSA-N 2 1 344.459 1.419 20 0 EDADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000193747406 442779037 /nfs/dbraw/zinc/77/90/37/442779037.db2.gz UATRUFDXOPNLJY-AWEZNQCLSA-N 2 1 344.459 1.419 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+]C2[C@@H](C)CCC[C@@H]2C)C1 ZINC000182710340 442810947 /nfs/dbraw/zinc/81/09/47/442810947.db2.gz UUIOEEZIUXHCJC-YESZJQIVSA-N 2 1 339.524 1.874 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194090043 442844769 /nfs/dbraw/zinc/84/47/69/442844769.db2.gz BWQQWNZUMSRLOZ-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194090043 442844771 /nfs/dbraw/zinc/84/47/71/442844771.db2.gz BWQQWNZUMSRLOZ-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194090043 442844774 /nfs/dbraw/zinc/84/47/74/442844774.db2.gz BWQQWNZUMSRLOZ-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000247657091 442864018 /nfs/dbraw/zinc/86/40/18/442864018.db2.gz YUQWOOJGKYSXTM-GVDBMIGSSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000247657091 442864022 /nfs/dbraw/zinc/86/40/22/442864022.db2.gz YUQWOOJGKYSXTM-GVDBMIGSSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000247657091 442864026 /nfs/dbraw/zinc/86/40/26/442864026.db2.gz YUQWOOJGKYSXTM-GVDBMIGSSA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)[C@H](C)C1 ZINC000189162992 442889295 /nfs/dbraw/zinc/88/92/95/442889295.db2.gz DZZDUMXIODBCFX-PBHICJAKSA-N 2 1 340.489 1.273 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)[C@H](C)C1 ZINC000189162992 442889298 /nfs/dbraw/zinc/88/92/98/442889298.db2.gz DZZDUMXIODBCFX-PBHICJAKSA-N 2 1 340.489 1.273 20 0 EDADMP CCN(C(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000182952453 442853778 /nfs/dbraw/zinc/85/37/78/442853778.db2.gz FZQRLNQRRDVWBK-GOSISDBHSA-N 2 1 346.519 1.997 20 0 EDADMP CCN(C(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000182952473 442853828 /nfs/dbraw/zinc/85/38/28/442853828.db2.gz FZQRLNQRRDVWBK-SFHVURJKSA-N 2 1 346.519 1.997 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000248599561 442905187 /nfs/dbraw/zinc/90/51/87/442905187.db2.gz IVEQLNBKCQMTPS-TWMKSMIVSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000248599561 442905191 /nfs/dbraw/zinc/90/51/91/442905191.db2.gz IVEQLNBKCQMTPS-TWMKSMIVSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000248599561 442905196 /nfs/dbraw/zinc/90/51/96/442905196.db2.gz IVEQLNBKCQMTPS-TWMKSMIVSA-N 2 1 340.512 1.203 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCOCC2)cc1 ZINC000183685969 442953945 /nfs/dbraw/zinc/95/39/45/442953945.db2.gz RWGGKQDAONHHHC-KXBFYZLASA-N 2 1 344.459 1.524 20 0 EDADMP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000268376489 442967500 /nfs/dbraw/zinc/96/75/00/442967500.db2.gz SYMRMLSDICJVHI-QFBILLFUSA-N 2 1 344.503 1.927 20 0 EDADMP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000265916939 442968032 /nfs/dbraw/zinc/96/80/32/442968032.db2.gz STVZLRIZDBSCCB-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000265916939 442968035 /nfs/dbraw/zinc/96/80/35/442968035.db2.gz STVZLRIZDBSCCB-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265916939 442968039 /nfs/dbraw/zinc/96/80/39/442968039.db2.gz STVZLRIZDBSCCB-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265916939 442968042 /nfs/dbraw/zinc/96/80/42/442968042.db2.gz STVZLRIZDBSCCB-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000195021026 442977357 /nfs/dbraw/zinc/97/73/57/442977357.db2.gz GISZJLGSAQZTQD-LVQVYYBASA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000195021026 442977359 /nfs/dbraw/zinc/97/73/59/442977359.db2.gz GISZJLGSAQZTQD-LVQVYYBASA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000195021026 442977360 /nfs/dbraw/zinc/97/73/60/442977360.db2.gz GISZJLGSAQZTQD-LVQVYYBASA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000195021026 442977362 /nfs/dbraw/zinc/97/73/62/442977362.db2.gz GISZJLGSAQZTQD-LVQVYYBASA-N 2 1 338.496 1.362 20 0 EDADMP CCOCCNC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189957780 443037221 /nfs/dbraw/zinc/03/72/21/443037221.db2.gz CZYSNPHUOOTCLE-IAGOWNOFSA-N 2 1 347.503 1.885 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000185046656 443124368 /nfs/dbraw/zinc/12/43/68/443124368.db2.gz JOQMIODHYXBZLO-UHFFFAOYSA-N 2 1 341.544 1.434 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000268936148 443152657 /nfs/dbraw/zinc/15/26/57/443152657.db2.gz YQXQGWDWPZFIIZ-AYOQOUSVSA-N 2 1 328.460 1.954 20 0 EDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000185604457 443225309 /nfs/dbraw/zinc/22/53/09/443225309.db2.gz AOGKBGBKAWAILI-GVDBMIGSSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@@H]1[C@@H](C)CC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000185604457 443225312 /nfs/dbraw/zinc/22/53/12/443225312.db2.gz AOGKBGBKAWAILI-GVDBMIGSSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@@H]1[C@@H](C)CC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000185604457 443225315 /nfs/dbraw/zinc/22/53/15/443225315.db2.gz AOGKBGBKAWAILI-GVDBMIGSSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709426 443242522 /nfs/dbraw/zinc/24/25/22/443242522.db2.gz HYKWGAQRVZMKRU-HDMKZQKVSA-N 2 1 345.491 1.768 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709426 443242524 /nfs/dbraw/zinc/24/25/24/443242524.db2.gz HYKWGAQRVZMKRU-HDMKZQKVSA-N 2 1 345.491 1.768 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000269125885 443205611 /nfs/dbraw/zinc/20/56/11/443205611.db2.gz DYHLVVFJSHKRRG-UHFFFAOYSA-N 2 1 332.492 1.554 20 0 EDADMP C[N@H+]1CC[C@H](c2nc(-c3ccccc3N3CC[NH+](C)CC3)no2)C1 ZINC000350090046 319041573 /nfs/dbraw/zinc/04/15/73/319041573.db2.gz ZJGZZJHUWBVGCC-AWEZNQCLSA-N 2 1 327.432 1.908 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000411921001 319213969 /nfs/dbraw/zinc/21/39/69/319213969.db2.gz CXCFRAAWWWMVHJ-RBUKOAKNSA-N 2 1 345.487 1.783 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000411921001 319213971 /nfs/dbraw/zinc/21/39/71/319213971.db2.gz CXCFRAAWWWMVHJ-RBUKOAKNSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413861126 319295114 /nfs/dbraw/zinc/29/51/14/319295114.db2.gz NKNYAMREFZTCGG-QGZVFWFLSA-N 2 1 345.487 1.811 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413861126 319295116 /nfs/dbraw/zinc/29/51/16/319295116.db2.gz NKNYAMREFZTCGG-QGZVFWFLSA-N 2 1 345.487 1.811 20 0 EDADMP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000413935574 319304880 /nfs/dbraw/zinc/30/48/80/319304880.db2.gz DTMQFPDLGCGERE-ZFWWWQNUSA-N 2 1 335.448 1.772 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c1C ZINC000414994037 319344759 /nfs/dbraw/zinc/34/47/59/319344759.db2.gz CWXKCWONOSWWGT-CYBMUJFWSA-N 2 1 344.406 1.397 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CC[NH2+]CC3)c2)C1 ZINC000415084728 319346291 /nfs/dbraw/zinc/34/62/91/319346291.db2.gz HMPXGCCEQAPOIB-QGZVFWFLSA-N 3 1 330.476 1.226 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC3CC[NH2+]CC3)c2)C1 ZINC000415084728 319346293 /nfs/dbraw/zinc/34/62/93/319346293.db2.gz HMPXGCCEQAPOIB-QGZVFWFLSA-N 2 1 330.476 1.226 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC3CC[NH2+]CC3)c2)C1 ZINC000415084728 319346295 /nfs/dbraw/zinc/34/62/95/319346295.db2.gz HMPXGCCEQAPOIB-QGZVFWFLSA-N 2 1 330.476 1.226 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000415258862 319358055 /nfs/dbraw/zinc/35/80/55/319358055.db2.gz SLICNEBACLOWRP-CQSZACIVSA-N 2 1 344.459 1.214 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415892323 319382147 /nfs/dbraw/zinc/38/21/47/319382147.db2.gz IFJQMDPPYNSFMA-KRWDZBQOSA-N 2 1 332.448 1.301 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000415985156 319387415 /nfs/dbraw/zinc/38/74/15/319387415.db2.gz RRIRBBIWCJWFGZ-SJLPKXTDSA-N 2 1 346.475 1.981 20 0 EDADMP CCC[C@H]1CN(C(=O)Nc2ncccc2C[NH3+])CC[N@H+]1CCOC ZINC000415985762 319387580 /nfs/dbraw/zinc/38/75/80/319387580.db2.gz GGITVPRREXGNLN-HNNXBMFYSA-N 2 1 335.452 1.505 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000416164909 319395557 /nfs/dbraw/zinc/39/55/57/319395557.db2.gz BXYCXYIXQIYKCD-WMZOPIPTSA-N 2 1 333.476 1.859 20 0 EDADMP COCC[N@H+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000416164909 319395559 /nfs/dbraw/zinc/39/55/59/319395559.db2.gz BXYCXYIXQIYKCD-WMZOPIPTSA-N 2 1 333.476 1.859 20 0 EDADMP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000191398163 443290048 /nfs/dbraw/zinc/29/00/48/443290048.db2.gz YSDVCSJOTVIZQM-UHFFFAOYSA-N 2 1 338.540 1.593 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@]3(C)CCC[NH2+]C3)c2)CCO1 ZINC000269360111 443292886 /nfs/dbraw/zinc/29/28/86/443292886.db2.gz RZFZCQKNPLXXHT-OXJNMPFZSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@]3(C)CCC[NH2+]C3)c2)CCO1 ZINC000269360111 443292891 /nfs/dbraw/zinc/29/28/91/443292891.db2.gz RZFZCQKNPLXXHT-OXJNMPFZSA-N 2 1 345.487 1.913 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000416839194 319465777 /nfs/dbraw/zinc/46/57/77/319465777.db2.gz JOORHRBDKFOMMP-GOEBONIOSA-N 2 1 334.464 1.691 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000264544031 443320193 /nfs/dbraw/zinc/32/01/93/443320193.db2.gz OEGMBBYFDZJYFH-OAHLLOKOSA-N 2 1 335.448 1.078 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)[nH+]c1 ZINC000272489702 443337549 /nfs/dbraw/zinc/33/75/49/443337549.db2.gz SWWGOHQZLMZXIW-HZPDHXFCSA-N 2 1 331.464 1.928 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)[nH+]c1 ZINC000272489702 443337554 /nfs/dbraw/zinc/33/75/54/443337554.db2.gz SWWGOHQZLMZXIW-HZPDHXFCSA-N 2 1 331.464 1.928 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCN2CCOC[C@@H]2C)CC1 ZINC000191467417 443299256 /nfs/dbraw/zinc/29/92/56/443299256.db2.gz NKNFITXVQDEXHE-QRVBRYPASA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000191467417 443299258 /nfs/dbraw/zinc/29/92/58/443299258.db2.gz NKNFITXVQDEXHE-QRVBRYPASA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000191467417 443299262 /nfs/dbraw/zinc/29/92/62/443299262.db2.gz NKNFITXVQDEXHE-QRVBRYPASA-N 2 1 338.540 1.198 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000272590239 443375080 /nfs/dbraw/zinc/37/50/80/443375080.db2.gz RVJCWPVCWSQHNO-DOTOQJQBSA-N 2 1 341.459 1.640 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000272590239 443375085 /nfs/dbraw/zinc/37/50/85/443375085.db2.gz RVJCWPVCWSQHNO-DOTOQJQBSA-N 2 1 341.459 1.640 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000267237127 443390022 /nfs/dbraw/zinc/39/00/22/443390022.db2.gz MCSVEKCXKVKTKF-ZDUSSCGKSA-N 2 1 336.461 1.793 20 0 EDADMP C[C@@H](NC(=O)NCCc1cn2ccccc2n1)C1=CC[N@@H+](C)CC1 ZINC000272879675 443476689 /nfs/dbraw/zinc/47/66/89/443476689.db2.gz XYHXVDJFQJNVLD-CQSZACIVSA-N 2 1 327.432 1.826 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000267453587 443463456 /nfs/dbraw/zinc/46/34/56/443463456.db2.gz UVPQZEZELIKRST-AEFFLSMTSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000267453587 443463458 /nfs/dbraw/zinc/46/34/58/443463458.db2.gz UVPQZEZELIKRST-AEFFLSMTSA-N 2 1 330.476 1.854 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)CC[NH2+]C1 ZINC000423303721 319762032 /nfs/dbraw/zinc/76/20/32/319762032.db2.gz JIRWHJNQTDAWEY-YJBOKZPZSA-N 2 1 335.448 1.040 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000283143448 443537782 /nfs/dbraw/zinc/53/77/82/443537782.db2.gz ODGVHGHQNKKPSX-IBGZPJMESA-N 2 1 345.487 1.689 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000283143448 443537789 /nfs/dbraw/zinc/53/77/89/443537789.db2.gz ODGVHGHQNKKPSX-IBGZPJMESA-N 2 1 345.487 1.689 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2cn3cc(C)ccc3n2)CC1 ZINC000273195657 443559496 /nfs/dbraw/zinc/55/94/96/443559496.db2.gz PRFGPCMAKBZHOD-MRXNPFEDSA-N 2 1 345.447 1.241 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436066968 320018711 /nfs/dbraw/zinc/01/87/11/320018711.db2.gz RWKJIGFNQNRGNN-PMPSAXMXSA-N 2 1 338.496 1.001 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436066968 320018713 /nfs/dbraw/zinc/01/87/13/320018713.db2.gz RWKJIGFNQNRGNN-PMPSAXMXSA-N 2 1 338.496 1.001 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)c1C ZINC000438091309 320033359 /nfs/dbraw/zinc/03/33/59/320033359.db2.gz DZQOQYYHRXSSRA-MRXNPFEDSA-N 2 1 336.480 1.837 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c1C ZINC000438091309 320033360 /nfs/dbraw/zinc/03/33/60/320033360.db2.gz DZQOQYYHRXSSRA-MRXNPFEDSA-N 2 1 336.480 1.837 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c1C ZINC000438091309 320033363 /nfs/dbraw/zinc/03/33/63/320033363.db2.gz DZQOQYYHRXSSRA-MRXNPFEDSA-N 2 1 336.480 1.837 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)c1C ZINC000438091309 320033366 /nfs/dbraw/zinc/03/33/66/320033366.db2.gz DZQOQYYHRXSSRA-MRXNPFEDSA-N 2 1 336.480 1.837 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000441041590 320086365 /nfs/dbraw/zinc/08/63/65/320086365.db2.gz SSRIRELVPQEKGF-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP CCCC[NH+](C)CCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000441041590 320086368 /nfs/dbraw/zinc/08/63/68/320086368.db2.gz SSRIRELVPQEKGF-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP CCCC[NH+](C)CCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441041590 320086369 /nfs/dbraw/zinc/08/63/69/320086369.db2.gz SSRIRELVPQEKGF-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)C1(C)C ZINC000444191395 320119791 /nfs/dbraw/zinc/11/97/91/320119791.db2.gz XJKTVBQIPCTLCR-AFIMGQEJSA-N 2 1 325.497 1.898 20 0 EDADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)ccc21 ZINC000453646389 320266730 /nfs/dbraw/zinc/26/67/30/320266730.db2.gz QISUAORLOJJRAR-KRWDZBQOSA-N 2 1 344.459 1.384 20 0 EDADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](CCO)C[C@H]2C)C1 ZINC000457747954 320334876 /nfs/dbraw/zinc/33/48/76/320334876.db2.gz UNOLNAZTRDYPEQ-IAGOWNOFSA-N 2 1 340.512 1.207 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](CCO)C[C@H]2C)C1 ZINC000457747954 320334877 /nfs/dbraw/zinc/33/48/77/320334877.db2.gz UNOLNAZTRDYPEQ-IAGOWNOFSA-N 2 1 340.512 1.207 20 0 EDADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[N@H+](CCO)C[C@H]2C)C1 ZINC000457747954 320334878 /nfs/dbraw/zinc/33/48/78/320334878.db2.gz UNOLNAZTRDYPEQ-IAGOWNOFSA-N 2 1 340.512 1.207 20 0 EDADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)C1 ZINC000457747954 320334879 /nfs/dbraw/zinc/33/48/79/320334879.db2.gz UNOLNAZTRDYPEQ-IAGOWNOFSA-N 2 1 340.512 1.207 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NCCOCC[NH+](C)C)CC2)[nH+]1 ZINC000471641546 320353093 /nfs/dbraw/zinc/35/30/93/320353093.db2.gz HEXQDANZWKFUIC-UHFFFAOYSA-N 2 1 349.479 1.236 20 0 EDADMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000479295235 320355124 /nfs/dbraw/zinc/35/51/24/320355124.db2.gz KPIMINGKLWANIO-GGPKGHCWSA-N 2 1 343.471 1.224 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC1CC[NH+](C)CC1)CCC(F)(F)F ZINC000494951333 320397635 /nfs/dbraw/zinc/39/76/35/320397635.db2.gz BOGIFFPHSYCDPX-UHFFFAOYSA-N 2 1 338.418 1.902 20 0 EDADMP COc1cc2[nH+]c(N3CC[C@H](C[NH+](C)C)C3)nc(N)c2cc1OC ZINC000293002676 443899101 /nfs/dbraw/zinc/89/91/01/443899101.db2.gz HJGOYWZPNYWOQX-LLVKDONJSA-N 2 1 331.420 1.617 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000299269989 444002407 /nfs/dbraw/zinc/00/24/07/444002407.db2.gz JAHSVPAXBHTCKL-SFHVURJKSA-N 2 1 330.476 1.258 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000299269989 444002411 /nfs/dbraw/zinc/00/24/11/444002411.db2.gz JAHSVPAXBHTCKL-SFHVURJKSA-N 2 1 330.476 1.258 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3CCC[N@H+]3C)cc2)CC1 ZINC000299269989 444002414 /nfs/dbraw/zinc/00/24/14/444002414.db2.gz JAHSVPAXBHTCKL-SFHVURJKSA-N 2 1 330.476 1.258 20 0 EDADMP COc1cccc(COC[C@@H](O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277305737 443958610 /nfs/dbraw/zinc/95/86/10/443958610.db2.gz ULALJJSNMFPNQV-ROUUACIJSA-N 2 1 336.476 1.989 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CCC[NH+]3C)c2)CCO1 ZINC000299572949 444082653 /nfs/dbraw/zinc/08/26/53/444082653.db2.gz RXETWFWHVNERFV-YJBOKZPZSA-N 2 1 331.460 1.618 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CCC[NH+]3C)c2)CCO1 ZINC000299572949 444082657 /nfs/dbraw/zinc/08/26/57/444082657.db2.gz RXETWFWHVNERFV-YJBOKZPZSA-N 2 1 331.460 1.618 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)c2)CCO1 ZINC000299572949 444082661 /nfs/dbraw/zinc/08/26/61/444082661.db2.gz RXETWFWHVNERFV-YJBOKZPZSA-N 2 1 331.460 1.618 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)[C@@H]3CCC[N@H+]3C)c2)CCO1 ZINC000299572949 444082665 /nfs/dbraw/zinc/08/26/65/444082665.db2.gz RXETWFWHVNERFV-YJBOKZPZSA-N 2 1 331.460 1.618 20 0 EDADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CCCO1 ZINC000277914962 444063706 /nfs/dbraw/zinc/06/37/06/444063706.db2.gz PPKBLSUQGWFZHW-INIZCTEOSA-N 2 1 349.475 1.975 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CCCO1 ZINC000277914962 444063711 /nfs/dbraw/zinc/06/37/11/444063711.db2.gz PPKBLSUQGWFZHW-INIZCTEOSA-N 2 1 349.475 1.975 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(=O)n(C)c3)CC2)CC1 ZINC000557552853 321005561 /nfs/dbraw/zinc/00/55/61/321005561.db2.gz NAJQSDJACMZMEP-UHFFFAOYSA-N 2 1 346.475 1.520 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000561128215 321034115 /nfs/dbraw/zinc/03/41/15/321034115.db2.gz NWBHIWYUJFNSJK-HOTGVXAUSA-N 2 1 326.485 1.114 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)COC)CC2)CC1 ZINC000563404456 321109136 /nfs/dbraw/zinc/10/91/36/321109136.db2.gz UVSGLCFSVGYHRM-UHFFFAOYSA-N 2 1 339.524 1.972 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000563960521 321117833 /nfs/dbraw/zinc/11/78/33/321117833.db2.gz STVADHYODZFJFB-XJKSGUPXSA-N 2 1 330.432 1.011 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@](C)(CC)CO)CC2)CC1 ZINC000563972058 321118496 /nfs/dbraw/zinc/11/84/96/321118496.db2.gz JWSYEJBVQNFSTA-GOSISDBHSA-N 2 1 325.497 1.460 20 0 EDADMP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)o1 ZINC000565047709 321166833 /nfs/dbraw/zinc/16/68/33/321166833.db2.gz WAWJILFFOGHKNF-HNNXBMFYSA-N 2 1 342.443 1.937 20 0 EDADMP CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1(C[NH3+])CCC1 ZINC000565659164 321195767 /nfs/dbraw/zinc/19/57/67/321195767.db2.gz DXILJSXHYUBKQE-UHFFFAOYSA-N 2 1 330.476 1.144 20 0 EDADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000566211805 321222514 /nfs/dbraw/zinc/22/25/14/321222514.db2.gz KTHYOYSZLCNDLS-FCWGVCEXSA-N 2 1 342.487 1.926 20 0 EDADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000567645879 321250462 /nfs/dbraw/zinc/25/04/62/321250462.db2.gz HVKKBHWRZDTPHA-JKSUJKDBSA-N 2 1 325.478 1.356 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3cn[nH]c3)CC2)CC1 ZINC000568202317 321280465 /nfs/dbraw/zinc/28/04/65/321280465.db2.gz JTVVZULHKWUZRQ-CQSZACIVSA-N 2 1 333.480 1.783 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CCC(=O)NC(N)=O)C1 ZINC000569474911 321327049 /nfs/dbraw/zinc/32/70/49/321327049.db2.gz VXEDQXBONCTZLP-CQSZACIVSA-N 2 1 332.448 1.593 20 0 EDADMP C[C@H]1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000285825088 444120351 /nfs/dbraw/zinc/12/03/51/444120351.db2.gz UJBQBJLPGTYHFM-WMZOPIPTSA-N 2 1 331.460 1.488 20 0 EDADMP CN(CCC[N@@H+](C)C[C@@H](O)c1cc(F)ccc1F)CC[NH+](C)C ZINC000289398606 444130488 /nfs/dbraw/zinc/13/04/88/444130488.db2.gz KUELRTQSOASRBI-QGZVFWFLSA-N 2 1 329.435 1.814 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000299720282 444124589 /nfs/dbraw/zinc/12/45/89/444124589.db2.gz SEETYDHCXMSTGH-UHFFFAOYSA-N 2 1 349.357 1.292 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000299720282 444124594 /nfs/dbraw/zinc/12/45/94/444124594.db2.gz SEETYDHCXMSTGH-UHFFFAOYSA-N 2 1 349.357 1.292 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1sccc1C(N)=O ZINC000299721935 444125580 /nfs/dbraw/zinc/12/55/80/444125580.db2.gz SLQOWYABWRDSOZ-UHFFFAOYSA-N 2 1 349.460 1.703 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1sccc1C(N)=O ZINC000299721935 444125583 /nfs/dbraw/zinc/12/55/83/444125583.db2.gz SLQOWYABWRDSOZ-UHFFFAOYSA-N 2 1 349.460 1.703 20 0 EDADMP CN(C)c1cc[nH+]c(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000302048854 444202133 /nfs/dbraw/zinc/20/21/33/444202133.db2.gz MLHAMIBNURGTLZ-INIZCTEOSA-N 2 1 327.432 1.721 20 0 EDADMP CN(C)c1cc[nH+]c(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)n1 ZINC000302048854 444202135 /nfs/dbraw/zinc/20/21/35/444202135.db2.gz MLHAMIBNURGTLZ-INIZCTEOSA-N 2 1 327.432 1.721 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000290148966 444248372 /nfs/dbraw/zinc/24/83/72/444248372.db2.gz VOCXSZAVHNIFGZ-OAHLLOKOSA-N 2 1 348.491 1.923 20 0 EDADMP O=C1NCCN1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000290242378 444258356 /nfs/dbraw/zinc/25/83/56/444258356.db2.gz JIPUAUBRXFDNFF-MOPGFXCFSA-N 2 1 342.487 1.998 20 0 EDADMP O=C1NCCN1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000290242378 444258358 /nfs/dbraw/zinc/25/83/58/444258358.db2.gz JIPUAUBRXFDNFF-MOPGFXCFSA-N 2 1 342.487 1.998 20 0 EDADMP O=C1NCCN1CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000290242378 444258361 /nfs/dbraw/zinc/25/83/61/444258361.db2.gz JIPUAUBRXFDNFF-MOPGFXCFSA-N 2 1 342.487 1.998 20 0 EDADMP O=C1NCCN1CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000290242378 444258362 /nfs/dbraw/zinc/25/83/62/444258362.db2.gz JIPUAUBRXFDNFF-MOPGFXCFSA-N 2 1 342.487 1.998 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000577208328 321632891 /nfs/dbraw/zinc/63/28/91/321632891.db2.gz SNZBPVSJLHHJAQ-OWCLPIDISA-N 2 1 326.485 1.447 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000296597221 444242068 /nfs/dbraw/zinc/24/20/68/444242068.db2.gz YDLCXXGBPPKWKM-GJZGRUSLSA-N 2 1 331.460 1.664 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000296597221 444242072 /nfs/dbraw/zinc/24/20/72/444242072.db2.gz YDLCXXGBPPKWKM-GJZGRUSLSA-N 2 1 331.460 1.664 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000290408396 444276830 /nfs/dbraw/zinc/27/68/30/444276830.db2.gz UDBSOCVETGWEGC-CQSZACIVSA-N 2 1 334.464 1.532 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+]([C@@H]3Cc4ccccc4[C@H]3O)C2)CC1 ZINC000305803141 444281597 /nfs/dbraw/zinc/28/15/97/444281597.db2.gz FKVDPMFAFRHTST-MISYRCLQSA-N 2 1 329.488 1.747 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@H+]([C@@H]3Cc4ccccc4[C@H]3O)C2)CC1 ZINC000305803141 444281599 /nfs/dbraw/zinc/28/15/99/444281599.db2.gz FKVDPMFAFRHTST-MISYRCLQSA-N 2 1 329.488 1.747 20 0 EDADMP Cc1nccc(N2CCN(C(=O)CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000328800330 444357284 /nfs/dbraw/zinc/35/72/84/444357284.db2.gz YHEAGBYJGLTOQR-HNNXBMFYSA-N 2 1 331.464 1.698 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1 ZINC000337801259 444414029 /nfs/dbraw/zinc/41/40/29/444414029.db2.gz HSBSWVFLHXHRQR-SQNIBIBYSA-N 2 1 349.475 1.319 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000337811691 444418485 /nfs/dbraw/zinc/41/84/85/444418485.db2.gz OIZPSVWUTNJLHN-GDBMZVCRSA-N 2 1 328.526 1.455 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000579255920 321910364 /nfs/dbraw/zinc/91/03/64/321910364.db2.gz URUYOFMZBNKJMU-HOCLYGCPSA-N 2 1 327.856 1.372 20 0 EDADMP C[NH+](C)CCCOc1ccc(CNC(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000579975406 321994714 /nfs/dbraw/zinc/99/47/14/321994714.db2.gz RKOQHKNVFZPDBO-UHFFFAOYSA-N 2 1 333.476 1.975 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCN2C(=O)NC3(CCCC3)C2=O)[C@H]2CCC[C@@H]21 ZINC000580341003 322039928 /nfs/dbraw/zinc/03/99/28/322039928.db2.gz JGJHSVKYNALCJA-ILXRZTDVSA-N 2 1 334.464 1.313 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000581088773 322134891 /nfs/dbraw/zinc/13/48/91/322134891.db2.gz IDCROTDBFPKECK-ZWKOTPCHSA-N 2 1 344.503 1.655 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000581088773 322134893 /nfs/dbraw/zinc/13/48/93/322134893.db2.gz IDCROTDBFPKECK-ZWKOTPCHSA-N 2 1 344.503 1.655 20 0 EDADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CCCc3c1cnn3-c1ncccn1)C2 ZINC000581108052 322135769 /nfs/dbraw/zinc/13/57/69/322135769.db2.gz XOGHCQSJKMXOTK-OCCSQVGLSA-N 2 1 335.415 1.910 20 0 EDADMP CCOCCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000581244194 322153750 /nfs/dbraw/zinc/15/37/50/322153750.db2.gz OQXOPFMOSVMFLU-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000329294848 444524399 /nfs/dbraw/zinc/52/43/99/444524399.db2.gz SFNRHGUIATWBAI-CWRNSKLLSA-N 2 1 333.480 1.378 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000340883377 444557545 /nfs/dbraw/zinc/55/75/45/444557545.db2.gz BGOOOLPCLZNHSN-UHFFFAOYSA-N 2 1 328.501 1.518 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000340931635 444582443 /nfs/dbraw/zinc/58/24/43/444582443.db2.gz HMXJZOBILUPONV-QAPCUYQASA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000340931635 444582445 /nfs/dbraw/zinc/58/24/45/444582445.db2.gz HMXJZOBILUPONV-QAPCUYQASA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000340931635 444582447 /nfs/dbraw/zinc/58/24/47/444582447.db2.gz HMXJZOBILUPONV-QAPCUYQASA-N 2 1 330.476 1.827 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C(=O)CCCC[NH+]1CCOCC1 ZINC000342177178 444549604 /nfs/dbraw/zinc/54/96/04/444549604.db2.gz HPPZMEPDYDZGDQ-UHFFFAOYSA-N 2 1 325.497 1.823 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1CCCC[C@H]1C ZINC000340941647 444588037 /nfs/dbraw/zinc/58/80/37/444588037.db2.gz UHUBHHHHNYABMY-HZPDHXFCSA-N 2 1 328.501 1.517 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000340941647 444588041 /nfs/dbraw/zinc/58/80/41/444588041.db2.gz UHUBHHHHNYABMY-HZPDHXFCSA-N 2 1 328.501 1.517 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000340941647 444588044 /nfs/dbraw/zinc/58/80/44/444588044.db2.gz UHUBHHHHNYABMY-HZPDHXFCSA-N 2 1 328.501 1.517 20 0 EDADMP CC[C@]1(C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]1 ZINC000343783378 444588838 /nfs/dbraw/zinc/58/88/38/444588838.db2.gz FBCSVDHHBCKGDM-HXUWFJFHSA-N 2 1 344.503 1.799 20 0 EDADMP CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000338310093 444624255 /nfs/dbraw/zinc/62/42/55/444624255.db2.gz YYPUOIBBGSLIRW-KBAYOESNSA-N 2 1 337.508 1.676 20 0 EDADMP CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000338310093 444624256 /nfs/dbraw/zinc/62/42/56/444624256.db2.gz YYPUOIBBGSLIRW-KBAYOESNSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCc3sccc3C2)CCC[N@@H+]1C ZINC000343899511 444655484 /nfs/dbraw/zinc/65/54/84/444655484.db2.gz YWBDLAJSPHKOIH-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCc3sccc3C2)CCC[N@H+]1C ZINC000343899511 444655488 /nfs/dbraw/zinc/65/54/88/444655488.db2.gz YWBDLAJSPHKOIH-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)CCC[NH+]1C ZINC000343899511 444655492 /nfs/dbraw/zinc/65/54/92/444655492.db2.gz YWBDLAJSPHKOIH-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)CCC[NH+]1C ZINC000343899511 444655495 /nfs/dbraw/zinc/65/54/95/444655495.db2.gz YWBDLAJSPHKOIH-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[N@H+]1C1CC1 ZINC000333430190 444667678 /nfs/dbraw/zinc/66/76/78/444667678.db2.gz UKSBAQIBJKYGNA-UOJCXKCYSA-N 2 1 336.480 1.149 20 0 EDADMP C[C@H](CNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)[N@@H+](C)C1CC1 ZINC000333439096 444671424 /nfs/dbraw/zinc/67/14/24/444671424.db2.gz VUHHRMOTYVCNNO-COXVUDFISA-N 2 1 338.496 1.397 20 0 EDADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ncc(C[NH+](C)C)s3)[C@H]2C1 ZINC000342412280 444681116 /nfs/dbraw/zinc/68/11/16/444681116.db2.gz DJCGGUDZTXYSBL-BPUTZDHNSA-N 2 1 336.505 1.941 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](C(C)C)N2CCOCC2)C1 ZINC000338329602 444637378 /nfs/dbraw/zinc/63/73/78/444637378.db2.gz ZFCRXMGNSIIXDQ-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000338329602 444637380 /nfs/dbraw/zinc/63/73/80/444637380.db2.gz ZFCRXMGNSIIXDQ-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000338329602 444637381 /nfs/dbraw/zinc/63/73/81/444637381.db2.gz ZFCRXMGNSIIXDQ-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000333903723 444713909 /nfs/dbraw/zinc/71/39/09/444713909.db2.gz CBDUPRQAIGSTLF-FCGDIQPGSA-N 2 1 342.487 1.997 20 0 EDADMP [NH3+]C1(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C2CC3CC(C2)CC1C3 ZINC000333914642 444717253 /nfs/dbraw/zinc/71/72/53/444717253.db2.gz MKPXDYXBODJNHU-CMPFZWEDSA-N 2 1 332.492 1.630 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000333927642 444720847 /nfs/dbraw/zinc/72/08/47/444720847.db2.gz WOSQEPRBEDMGLT-BQJWPVKWSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000333927642 444720848 /nfs/dbraw/zinc/72/08/48/444720848.db2.gz WOSQEPRBEDMGLT-BQJWPVKWSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000333927644 444720917 /nfs/dbraw/zinc/72/09/17/444720917.db2.gz WOSQEPRBEDMGLT-ZHCJQAHYSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000333927644 444720921 /nfs/dbraw/zinc/72/09/21/444720921.db2.gz WOSQEPRBEDMGLT-ZHCJQAHYSA-N 2 1 338.496 1.125 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333945786 444725623 /nfs/dbraw/zinc/72/56/23/444725623.db2.gz TZYCECMWEFZQQR-ZACQAIPSSA-N 2 1 329.448 1.364 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333945786 444725626 /nfs/dbraw/zinc/72/56/26/444725626.db2.gz TZYCECMWEFZQQR-ZACQAIPSSA-N 2 1 329.448 1.364 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+](C)C1CC1 ZINC000341124958 444686042 /nfs/dbraw/zinc/68/60/42/444686042.db2.gz LHNGQRKZSLLNMS-QGZVFWFLSA-N 3 1 339.528 1.138 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[N@H+](C)C1CC1 ZINC000341124958 444686045 /nfs/dbraw/zinc/68/60/45/444686045.db2.gz LHNGQRKZSLLNMS-QGZVFWFLSA-N 3 1 339.528 1.138 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000341124958 444686048 /nfs/dbraw/zinc/68/60/48/444686048.db2.gz LHNGQRKZSLLNMS-QGZVFWFLSA-N 3 1 339.528 1.138 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000341234514 444742562 /nfs/dbraw/zinc/74/25/62/444742562.db2.gz BNPKYWNKADIHKG-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP C[C@H]1C[C@@H](CO)CC[N@H+]1CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000344120041 444792051 /nfs/dbraw/zinc/79/20/51/444792051.db2.gz CMPAEMMMQHJTSG-HOTGVXAUSA-N 2 1 335.448 1.017 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000342693086 444817697 /nfs/dbraw/zinc/81/76/97/444817697.db2.gz LSFDFRWTNLDTGV-WBMJQRKESA-N 2 1 344.415 1.638 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000330032208 444817742 /nfs/dbraw/zinc/81/77/42/444817742.db2.gz UQKHZQZDGJNVDT-CQSZACIVSA-N 2 1 330.436 1.246 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000330032208 444817745 /nfs/dbraw/zinc/81/77/45/444817745.db2.gz UQKHZQZDGJNVDT-CQSZACIVSA-N 2 1 330.436 1.246 20 0 EDADMP Cc1noc(CCC[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000336879041 444826128 /nfs/dbraw/zinc/82/61/28/444826128.db2.gz KWQOMDZPOFAUSH-UHFFFAOYSA-N 2 1 335.496 1.801 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000342757584 444851000 /nfs/dbraw/zinc/85/10/00/444851000.db2.gz SXVXPLKQKTUHPL-ZWKOTPCHSA-N 2 1 333.476 1.812 20 0 EDADMP Cc1nn(C)c(C)c1[C@H]1[C@H](N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC(=O)N1C ZINC000330177600 444874369 /nfs/dbraw/zinc/87/43/69/444874369.db2.gz DBJXYTMKSYHGDM-VLLCBTQYSA-N 2 1 345.491 1.381 20 0 EDADMP Cc1nn(C)c(C)c1[C@H]1[C@H](N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC(=O)N1C ZINC000330177600 444874374 /nfs/dbraw/zinc/87/43/74/444874374.db2.gz DBJXYTMKSYHGDM-VLLCBTQYSA-N 2 1 345.491 1.381 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000342711800 444828683 /nfs/dbraw/zinc/82/86/83/444828683.db2.gz REUBMUVTWAGHRM-XWTMOSNGSA-N 2 1 336.524 1.392 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)CNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000336881309 444829181 /nfs/dbraw/zinc/82/91/81/444829181.db2.gz SPSYLVGXZDBGQK-QGZVFWFLSA-N 2 1 340.512 1.056 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1CCOC1 ZINC000337229344 444995406 /nfs/dbraw/zinc/99/54/06/444995406.db2.gz UXXLACGYTKHNFZ-LNLFQRSKSA-N 2 1 345.487 1.906 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000341903210 445062966 /nfs/dbraw/zinc/06/29/66/445062966.db2.gz TYAUUCCWBZDWBK-ILXRZTDVSA-N 2 1 336.480 1.559 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000337430752 445077225 /nfs/dbraw/zinc/07/72/25/445077225.db2.gz YWKSCYIRAKDLLE-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000337430752 445077229 /nfs/dbraw/zinc/07/72/29/445077229.db2.gz YWKSCYIRAKDLLE-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCCOc3cccc(F)c3)C[C@@H]21 ZINC000342095739 445169684 /nfs/dbraw/zinc/16/96/84/445169684.db2.gz YZSFTBRYFFYTMT-XOKHGSTOSA-N 2 1 335.423 1.380 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCCOc3cccc(F)c3)C[C@@H]21 ZINC000342095739 445169686 /nfs/dbraw/zinc/16/96/86/445169686.db2.gz YZSFTBRYFFYTMT-XOKHGSTOSA-N 2 1 335.423 1.380 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCC[N@H+]1C ZINC000339499106 445146626 /nfs/dbraw/zinc/14/66/26/445146626.db2.gz BTLQOCPYOUJUKH-JSGCOSHPSA-N 2 1 338.496 1.011 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C1 ZINC000346697608 445223839 /nfs/dbraw/zinc/22/38/39/445223839.db2.gz FHJGOCMWCNJCAI-RYQLBKOJSA-N 2 1 337.508 1.819 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[N@H+](C)C1 ZINC000346697608 445223840 /nfs/dbraw/zinc/22/38/40/445223840.db2.gz FHJGOCMWCNJCAI-RYQLBKOJSA-N 2 1 337.508 1.819 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[N@@H+](C)C1 ZINC000346697608 445223841 /nfs/dbraw/zinc/22/38/41/445223841.db2.gz FHJGOCMWCNJCAI-RYQLBKOJSA-N 2 1 337.508 1.819 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000346895731 445227311 /nfs/dbraw/zinc/22/73/11/445227311.db2.gz ZMMGRKLGZBKSAR-SUMDDJOVSA-N 2 1 328.460 1.960 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000346895731 445227313 /nfs/dbraw/zinc/22/73/13/445227313.db2.gz ZMMGRKLGZBKSAR-SUMDDJOVSA-N 2 1 328.460 1.960 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000343506476 445235664 /nfs/dbraw/zinc/23/56/64/445235664.db2.gz HNDNSAMIZLEDCH-ZMMAXQRCSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000343506476 445235666 /nfs/dbraw/zinc/23/56/66/445235666.db2.gz HNDNSAMIZLEDCH-ZMMAXQRCSA-N 2 1 337.508 1.722 20 0 EDADMP Cc1nc(CN2C[C@H](F)C[C@@H]2C[N@H+](C)CCn2cc[nH+]c2C)no1 ZINC000348184428 445308934 /nfs/dbraw/zinc/30/89/34/445308934.db2.gz WXBOWXBXMGSRKQ-HUUCEWRRSA-N 2 1 336.415 1.427 20 0 EDADMP Cc1nc(CN2C[C@H](F)C[C@@H]2C[N@@H+](C)CCn2cc[nH+]c2C)no1 ZINC000348184428 445308938 /nfs/dbraw/zinc/30/89/38/445308938.db2.gz WXBOWXBXMGSRKQ-HUUCEWRRSA-N 2 1 336.415 1.427 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000351768499 445314514 /nfs/dbraw/zinc/31/45/14/445314514.db2.gz WMTBYAAMQIEMKF-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000351857436 445344601 /nfs/dbraw/zinc/34/46/01/445344601.db2.gz BGRWLHPWVSZYBM-ZFWWWQNUSA-N 2 1 335.448 1.032 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000351857436 445344603 /nfs/dbraw/zinc/34/46/03/445344603.db2.gz BGRWLHPWVSZYBM-ZFWWWQNUSA-N 2 1 335.448 1.032 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000351861933 445346040 /nfs/dbraw/zinc/34/60/40/445346040.db2.gz MMRKIQHLZAMXPM-QAPCUYQASA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000351861933 445346041 /nfs/dbraw/zinc/34/60/41/445346041.db2.gz MMRKIQHLZAMXPM-QAPCUYQASA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)[C@H](C(=O)NCC1(C)CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356986560 445362717 /nfs/dbraw/zinc/36/27/17/445362717.db2.gz RCZQKZJHYUVJKN-IXDOHACOSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@H](C(=O)NCC1(C)CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356986560 445362723 /nfs/dbraw/zinc/36/27/23/445362723.db2.gz RCZQKZJHYUVJKN-IXDOHACOSA-N 2 1 339.524 1.968 20 0 EDADMP CCCN(CC[NH+]1CCCC1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000348562049 445326563 /nfs/dbraw/zinc/32/65/63/445326563.db2.gz YCRWGDHQSNSZLB-UHFFFAOYSA-N 2 1 346.523 1.536 20 0 EDADMP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc2c(c1)OCO2 ZINC000357084757 445417472 /nfs/dbraw/zinc/41/74/72/445417472.db2.gz JVFCRZGZEITPDC-AWEZNQCLSA-N 2 1 331.416 1.675 20 0 EDADMP [NH3+]CCOCC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000357103632 445430111 /nfs/dbraw/zinc/43/01/11/445430111.db2.gz KMADDXOFQQQOHM-CQSZACIVSA-N 2 1 338.427 1.635 20 0 EDADMP C[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000354959134 445436030 /nfs/dbraw/zinc/43/60/30/445436030.db2.gz NSUAKHGPRDGZPM-GJZGRUSLSA-N 2 1 326.485 1.005 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000352041554 445455623 /nfs/dbraw/zinc/45/56/23/445455623.db2.gz ZBAOBGRPBPSVAW-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP COC[C@]1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000357252677 445508743 /nfs/dbraw/zinc/50/87/43/445508743.db2.gz AXINCNPGEGKGGL-PKOBYXMFSA-N 2 1 349.450 1.675 20 0 EDADMP COC[C@]1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000357252677 445508749 /nfs/dbraw/zinc/50/87/49/445508749.db2.gz AXINCNPGEGKGGL-PKOBYXMFSA-N 2 1 349.450 1.675 20 0 EDADMP Cc1[nH+]ccn1-c1cncc(N2CCC(OCC[NH+](C)C)CC2)n1 ZINC000357254927 445510116 /nfs/dbraw/zinc/51/01/16/445510116.db2.gz DZVOXBPGBKHFGD-UHFFFAOYSA-N 2 1 330.436 1.518 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000359919613 445488336 /nfs/dbraw/zinc/48/83/36/445488336.db2.gz VPWPGDUTSBQKFM-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000359919613 445488338 /nfs/dbraw/zinc/48/83/38/445488338.db2.gz VPWPGDUTSBQKFM-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000359919613 445488340 /nfs/dbraw/zinc/48/83/40/445488340.db2.gz VPWPGDUTSBQKFM-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000359919613 445488342 /nfs/dbraw/zinc/48/83/42/445488342.db2.gz VPWPGDUTSBQKFM-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000359919613 445488343 /nfs/dbraw/zinc/48/83/43/445488343.db2.gz VPWPGDUTSBQKFM-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000359919145 445489142 /nfs/dbraw/zinc/48/91/42/445489142.db2.gz SUOOXTIEZXAFMT-BBWFWOEESA-N 2 1 342.528 1.593 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362802708 445556508 /nfs/dbraw/zinc/55/65/08/445556508.db2.gz VEMCCYRFPPTKFZ-HOCLYGCPSA-N 2 1 331.464 1.554 20 0 EDADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357709950 445578404 /nfs/dbraw/zinc/57/84/04/445578404.db2.gz RZFRSZFJRVLQRK-ROUUACIJSA-N 2 1 337.508 1.822 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+](C)C(C)C)CC[N@H+]1C[C@H](C)O ZINC000360134065 445586926 /nfs/dbraw/zinc/58/69/26/445586926.db2.gz FKYNZEZKTFQWTJ-OWCLPIDISA-N 2 1 328.501 1.202 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC[NH+]1C[C@H](C)O ZINC000360134065 445586930 /nfs/dbraw/zinc/58/69/30/445586930.db2.gz FKYNZEZKTFQWTJ-OWCLPIDISA-N 2 1 328.501 1.202 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC[NH+]1C[C@H](C)O ZINC000360134065 445586933 /nfs/dbraw/zinc/58/69/33/445586933.db2.gz FKYNZEZKTFQWTJ-OWCLPIDISA-N 2 1 328.501 1.202 20 0 EDADMP Cc1cc(NCCCC[NH+]2CCN(c3ncccn3)CC2)nc(C)[nH+]1 ZINC000352643910 445544774 /nfs/dbraw/zinc/54/47/74/445544774.db2.gz GZYYDTKJGKHGDM-UHFFFAOYSA-N 2 1 341.463 1.898 20 0 EDADMP CO[C@H](C[NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353451946 445607845 /nfs/dbraw/zinc/60/78/45/445607845.db2.gz QBEUTYIVGDXSJZ-MJGOQNOKSA-N 2 1 331.460 1.475 20 0 EDADMP O[C@H](COc1ccccc1F)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362926660 445612229 /nfs/dbraw/zinc/61/22/29/445612229.db2.gz RSVTWALRYDMXPI-KYHPRHEASA-N 2 1 334.435 1.982 20 0 EDADMP O[C@H](COc1ccccc1F)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362926660 445612234 /nfs/dbraw/zinc/61/22/34/445612234.db2.gz RSVTWALRYDMXPI-KYHPRHEASA-N 2 1 334.435 1.982 20 0 EDADMP O[C@H](COc1ccccc1F)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362926660 445612242 /nfs/dbraw/zinc/61/22/42/445612242.db2.gz RSVTWALRYDMXPI-KYHPRHEASA-N 2 1 334.435 1.982 20 0 EDADMP O[C@H](COc1ccccc1F)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362926660 445612244 /nfs/dbraw/zinc/61/22/44/445612244.db2.gz RSVTWALRYDMXPI-KYHPRHEASA-N 2 1 334.435 1.982 20 0 EDADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000353464734 445614178 /nfs/dbraw/zinc/61/41/78/445614178.db2.gz WKIYPOYKPJFRCS-CRAIPNDOSA-N 2 1 346.475 1.834 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCCO)Cc2ccccc2)CC1 ZINC000362949895 445624071 /nfs/dbraw/zinc/62/40/71/445624071.db2.gz UXAXJQKPFVJSMV-UHFFFAOYSA-N 2 1 347.503 1.860 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCCO)Cc2ccccc2)CC1 ZINC000362949895 445624075 /nfs/dbraw/zinc/62/40/75/445624075.db2.gz UXAXJQKPFVJSMV-UHFFFAOYSA-N 2 1 347.503 1.860 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000362986397 445639440 /nfs/dbraw/zinc/63/94/40/445639440.db2.gz KLWVVPITKNAKSI-PBHICJAKSA-N 2 1 331.460 1.780 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000349750669 445665064 /nfs/dbraw/zinc/66/50/64/445665064.db2.gz WZEQGGVFXHAAPR-SJORKVTESA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000349750669 445665068 /nfs/dbraw/zinc/66/50/68/445665068.db2.gz WZEQGGVFXHAAPR-SJORKVTESA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000349750669 445665073 /nfs/dbraw/zinc/66/50/73/445665073.db2.gz WZEQGGVFXHAAPR-SJORKVTESA-N 2 1 338.496 1.221 20 0 EDADMP COC(=O)CCNC(=O)C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000363087581 445673226 /nfs/dbraw/zinc/67/32/26/445673226.db2.gz HELYRJLTJWBCSD-UHFFFAOYSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)c1coc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000353628903 445682631 /nfs/dbraw/zinc/68/26/31/445682631.db2.gz URPNJNWOGPNPRM-CQSZACIVSA-N 2 1 338.448 1.981 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000349845582 445697166 /nfs/dbraw/zinc/69/71/66/445697166.db2.gz HQSCLJZWZRZFHZ-DLBZAZTESA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000356246284 445697198 /nfs/dbraw/zinc/69/71/98/445697198.db2.gz SNJCGKWUDXQSEL-XHSDSOJGSA-N 2 1 325.497 1.410 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000356248826 445698617 /nfs/dbraw/zinc/69/86/17/445698617.db2.gz FCASQMMTRLDIEM-CGTJXYLNSA-N 2 1 333.476 1.903 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000356248826 445698622 /nfs/dbraw/zinc/69/86/22/445698622.db2.gz FCASQMMTRLDIEM-CGTJXYLNSA-N 2 1 333.476 1.903 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000356306658 445727453 /nfs/dbraw/zinc/72/74/53/445727453.db2.gz VHFUTNALMZPAEY-BZUAXINKSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H](CC1CCOCC1)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000350006114 445747388 /nfs/dbraw/zinc/74/73/88/445747388.db2.gz GDCGUBOGCVMJRE-SJLPKXTDSA-N 2 1 337.508 1.678 20 0 EDADMP CN1CC[N@H+](C)C[C@H]1c1noc(-c2ccccc2OCC[NH+](C)C)n1 ZINC000350044580 445755597 /nfs/dbraw/zinc/75/55/97/445755597.db2.gz CTWQQQYNANLAFR-HNNXBMFYSA-N 2 1 345.447 1.595 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1c1noc(-c2ccccc2OCC[NH+](C)C)n1 ZINC000350044580 445755601 /nfs/dbraw/zinc/75/56/01/445755601.db2.gz CTWQQQYNANLAFR-HNNXBMFYSA-N 2 1 345.447 1.595 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(C)on2)C1 ZINC000350222385 445796215 /nfs/dbraw/zinc/79/62/15/445796215.db2.gz SCZNLAIVRISGCU-OAHLLOKOSA-N 2 1 338.452 1.744 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C(C)C ZINC000356469151 445807984 /nfs/dbraw/zinc/80/79/84/445807984.db2.gz ZYLSKSGELPOEMF-INIZCTEOSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358861299 445816304 /nfs/dbraw/zinc/81/63/04/445816304.db2.gz WDYMGVDZSNVBFN-KRWDZBQOSA-N 2 1 337.439 1.437 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000363824283 445878419 /nfs/dbraw/zinc/87/84/19/445878419.db2.gz MLTXYAXNSVMLJR-KSZLIROESA-N 2 1 348.491 1.286 20 0 EDADMP COCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CC[C@H](C)C1 ZINC000361632676 445858504 /nfs/dbraw/zinc/85/85/04/445858504.db2.gz UFAFDSAXEZBSOZ-WMZOPIPTSA-N 2 1 347.507 1.865 20 0 EDADMP COCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CC[C@H](C)C1 ZINC000361632676 445858509 /nfs/dbraw/zinc/85/85/09/445858509.db2.gz UFAFDSAXEZBSOZ-WMZOPIPTSA-N 2 1 347.507 1.865 20 0 EDADMP Cc1cc(N2CCC(NC(=O)c3ccnc(C[NH3+])c3)CC2)nc(C)[nH+]1 ZINC000361633359 445858621 /nfs/dbraw/zinc/85/86/21/445858621.db2.gz XLXFQMQAQMAAFS-UHFFFAOYSA-N 2 1 340.431 1.346 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000350732111 445891151 /nfs/dbraw/zinc/89/11/51/445891151.db2.gz JQRDRLJAIVTPQF-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)[N@H+]1CCO ZINC000364775357 445953799 /nfs/dbraw/zinc/95/37/99/445953799.db2.gz SIADGFHUEICBCY-IXDOHACOSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000364775357 445953803 /nfs/dbraw/zinc/95/38/03/445953803.db2.gz SIADGFHUEICBCY-IXDOHACOSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H](C)[NH+]1CCO ZINC000364775357 445953809 /nfs/dbraw/zinc/95/38/09/445953809.db2.gz SIADGFHUEICBCY-IXDOHACOSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](C)[NH+]1CCO ZINC000364775357 445953814 /nfs/dbraw/zinc/95/38/14/445953814.db2.gz SIADGFHUEICBCY-IXDOHACOSA-N 2 1 337.508 1.555 20 0 EDADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@H]1CCS(=O)(=O)C1)CC2)C1CC1 ZINC000365046914 445990724 /nfs/dbraw/zinc/99/07/24/445990724.db2.gz XQCIFACBBKJDKR-CABCVRRESA-N 2 1 326.506 1.617 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000369244645 446017550 /nfs/dbraw/zinc/01/75/50/446017550.db2.gz SHQIVJPRIWOYDN-UHFFFAOYSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000583263307 326037852 /nfs/dbraw/zinc/03/78/52/326037852.db2.gz RHSZOKWDWJQWAE-GJZGRUSLSA-N 2 1 334.464 1.809 20 0 EDADMP C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583430250 326070737 /nfs/dbraw/zinc/07/07/37/326070737.db2.gz CGZCRCRGKLYUKW-BPQIPLTHSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583430250 326070740 /nfs/dbraw/zinc/07/07/40/326070740.db2.gz CGZCRCRGKLYUKW-BPQIPLTHSA-N 2 1 346.475 1.327 20 0 EDADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000584221519 326221932 /nfs/dbraw/zinc/22/19/32/326221932.db2.gz PYVKSIXYYUNKLI-JFIYKMOQSA-N 2 1 336.480 1.025 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000351476521 446076639 /nfs/dbraw/zinc/07/66/39/446076639.db2.gz KYUTZKOMCIZPPG-SOUVJXGZSA-N 2 1 330.432 1.621 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000351476521 446076641 /nfs/dbraw/zinc/07/66/41/446076641.db2.gz KYUTZKOMCIZPPG-SOUVJXGZSA-N 2 1 330.432 1.621 20 0 EDADMP CC[C@H](C(=O)N[C@H]1CC[NH+](CCOC)C1)[N@@H+](C)Cc1ccccc1 ZINC000354286256 446082361 /nfs/dbraw/zinc/08/23/61/446082361.db2.gz XGBOWLXDECORPK-ZWKOTPCHSA-N 2 1 333.476 1.734 20 0 EDADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCOC)C1)[NH+](C)Cc1ccccc1 ZINC000354286256 446082369 /nfs/dbraw/zinc/08/23/69/446082369.db2.gz XGBOWLXDECORPK-ZWKOTPCHSA-N 2 1 333.476 1.734 20 0 EDADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCOC)C1)[NH+](C)Cc1ccccc1 ZINC000354286256 446082374 /nfs/dbraw/zinc/08/23/74/446082374.db2.gz XGBOWLXDECORPK-ZWKOTPCHSA-N 2 1 333.476 1.734 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)CC1 ZINC000365258714 446108093 /nfs/dbraw/zinc/10/80/93/446108093.db2.gz HLGVIJXPXVLPTO-RYRKJORJSA-N 2 1 349.523 1.081 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000365258714 446108100 /nfs/dbraw/zinc/10/81/00/446108100.db2.gz HLGVIJXPXVLPTO-RYRKJORJSA-N 2 1 349.523 1.081 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000365258714 446108102 /nfs/dbraw/zinc/10/81/02/446108102.db2.gz HLGVIJXPXVLPTO-RYRKJORJSA-N 2 1 349.523 1.081 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000365258714 446108105 /nfs/dbraw/zinc/10/81/05/446108105.db2.gz HLGVIJXPXVLPTO-RYRKJORJSA-N 2 1 349.523 1.081 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000365258714 446108107 /nfs/dbraw/zinc/10/81/07/446108107.db2.gz HLGVIJXPXVLPTO-RYRKJORJSA-N 2 1 349.523 1.081 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CC2(CCC2)C(=O)O1 ZINC000365266793 446113284 /nfs/dbraw/zinc/11/32/84/446113284.db2.gz LSXYNBYNEXFVFN-TWMKSMIVSA-N 2 1 336.476 1.951 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351525507 446126944 /nfs/dbraw/zinc/12/69/44/446126944.db2.gz UKMUQURLMMUPAK-KRWDZBQOSA-N 2 1 346.475 1.011 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000359346618 446165232 /nfs/dbraw/zinc/16/52/32/446165232.db2.gz CLCXLASNQAESRV-RDJZCZTQSA-N 2 1 334.439 1.964 20 0 EDADMP CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000366378718 446180988 /nfs/dbraw/zinc/18/09/88/446180988.db2.gz SAKWSGQBIYPMSC-BHYGNILZSA-N 2 1 344.459 1.284 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000366323905 446150791 /nfs/dbraw/zinc/15/07/91/446150791.db2.gz MTLXFTZRGXRXNU-QGZVFWFLSA-N 3 1 336.524 1.441 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[C@@H]1c1cccc(Cl)c1 ZINC000365333928 446153096 /nfs/dbraw/zinc/15/30/96/446153096.db2.gz ZCRSDJHLCJERTE-HNKHHVNMSA-N 2 1 337.851 1.172 20 0 EDADMP O=C(COc1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCCC1 ZINC000359455523 446232922 /nfs/dbraw/zinc/23/29/22/446232922.db2.gz JTSKTCBMKRDZSA-IAGOWNOFSA-N 2 1 329.444 1.339 20 0 EDADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366496098 446237958 /nfs/dbraw/zinc/23/79/58/446237958.db2.gz IFYPXQNDFREYII-RKVPGOIHSA-N 2 1 336.480 1.419 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@](C)(O)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000373532418 446251504 /nfs/dbraw/zinc/25/15/04/446251504.db2.gz WSBDFCGCACPVIQ-YLJYHZDGSA-N 2 1 331.504 1.994 20 0 EDADMP c1cc(N[C@H]2CCCOC2)nc(NC2CC([NH+]3CCCCC3)C2)[nH+]1 ZINC000373682731 446301084 /nfs/dbraw/zinc/30/10/84/446301084.db2.gz FNVRZZAGOCUEEH-FHERZECASA-N 2 1 331.464 2.496 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000359588893 446306785 /nfs/dbraw/zinc/30/67/85/446306785.db2.gz IMSCJOFIJYWYCY-DOTOQJQBSA-N 2 1 346.475 1.721 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000359637691 446331430 /nfs/dbraw/zinc/33/14/30/446331430.db2.gz RQSDTUQERSCKEO-GOEBONIOSA-N 2 1 328.526 1.597 20 0 EDADMP CN(C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@H]1CCC[NH2+]CC1 ZINC000417275119 446337497 /nfs/dbraw/zinc/33/74/97/446337497.db2.gz VHHOPOWGIVYQNB-HNNXBMFYSA-N 2 1 336.505 1.890 20 0 EDADMP CN(C(=O)NCC[N@H+]1CCc2sccc2C1)[C@H]1CCC[NH2+]CC1 ZINC000417275119 446337500 /nfs/dbraw/zinc/33/75/00/446337500.db2.gz VHHOPOWGIVYQNB-HNNXBMFYSA-N 2 1 336.505 1.890 20 0 EDADMP O=C(NCC1CC[NH+](C2CC2)CC1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000365815929 446354237 /nfs/dbraw/zinc/35/42/37/446354237.db2.gz LZZCJCRKBOQPHT-HNNXBMFYSA-N 2 1 331.464 1.619 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000417488852 446355269 /nfs/dbraw/zinc/35/52/69/446355269.db2.gz ATVBKGWXDAFBGS-FUHWJXTLSA-N 2 1 330.476 1.588 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000374178849 446356390 /nfs/dbraw/zinc/35/63/90/446356390.db2.gz ZDXOKLJTVYCWCX-MRXNPFEDSA-N 2 1 343.537 1.466 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417508531 446357299 /nfs/dbraw/zinc/35/72/99/446357299.db2.gz TUZMJAZPEGFZPJ-SJLPKXTDSA-N 2 1 332.492 1.978 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@H](C)[C@H]2C)[C@@H](C)C1 ZINC000417674349 446369276 /nfs/dbraw/zinc/36/92/76/446369276.db2.gz ZBWKMNZDZJQAEK-HZMVEIRTSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000370676289 446382143 /nfs/dbraw/zinc/38/21/43/446382143.db2.gz IXQXWFIWVWGSIB-BRSBDYLESA-N 2 1 328.497 1.499 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000365877384 446384615 /nfs/dbraw/zinc/38/46/15/446384615.db2.gz KSKQPTKLGKPXGB-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000365877384 446384618 /nfs/dbraw/zinc/38/46/18/446384618.db2.gz KSKQPTKLGKPXGB-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000365877384 446384621 /nfs/dbraw/zinc/38/46/21/446384621.db2.gz KSKQPTKLGKPXGB-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)CCC(F)(F)F ZINC000418075508 446432812 /nfs/dbraw/zinc/43/28/12/446432812.db2.gz HBQLXEZDOKDIGJ-CHWSQXEVSA-N 2 1 336.402 1.512 20 0 EDADMP COC(=O)c1ccsc1N1CC[C@H]([NH+]2CCC(C[NH3+])CC2)C1=O ZINC000420274471 446445072 /nfs/dbraw/zinc/44/50/72/446445072.db2.gz ORKHPAVVSXAURX-ZDUSSCGKSA-N 2 1 337.445 1.311 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417988728 446408724 /nfs/dbraw/zinc/40/87/24/446408724.db2.gz HTTCEKHIUPLGCD-AITUJVMLSA-N 2 1 342.487 1.900 20 0 EDADMP C[C@H](NC(=O)N1CC[NH2+]C[C@@](C)(F)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417988814 446408981 /nfs/dbraw/zinc/40/89/81/446408981.db2.gz IVOOLWUZWVCORR-RLFYNMQTSA-N 2 1 340.487 1.982 20 0 EDADMP C[C@H](NC(=O)N1CC[NH2+]C[C@@](C)(F)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417988814 446408983 /nfs/dbraw/zinc/40/89/83/446408983.db2.gz IVOOLWUZWVCORR-RLFYNMQTSA-N 2 1 340.487 1.982 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417996160 446409884 /nfs/dbraw/zinc/40/98/84/446409884.db2.gz QOEGOABRBOPZOB-YVSFHVDLSA-N 2 1 334.508 1.890 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418011620 446415589 /nfs/dbraw/zinc/41/55/89/446415589.db2.gz LBZHBRLEWYQKGY-YVWKXTFCSA-N 2 1 342.487 1.902 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC[N@H+]1C ZINC000418012702 446415706 /nfs/dbraw/zinc/41/57/06/446415706.db2.gz YBBDCOHKVHFLMZ-BGTYHANMSA-N 2 1 330.476 1.853 20 0 EDADMP COCC[C@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC[NH2+]C1 ZINC000370762757 446421838 /nfs/dbraw/zinc/42/18/38/446421838.db2.gz AOTIBHBXVIUFSW-CRAIPNDOSA-N 2 1 325.497 1.629 20 0 EDADMP CCOC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000420292179 446456274 /nfs/dbraw/zinc/45/62/74/446456274.db2.gz LKQMICBRLWFZNI-UHFFFAOYSA-N 2 1 333.432 1.733 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC3(O)CCC3)CC2)CC1 ZINC000411274906 446459756 /nfs/dbraw/zinc/45/97/56/446459756.db2.gz KUHIERJQWFPHFK-UHFFFAOYSA-N 2 1 337.508 1.558 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000420306187 446469374 /nfs/dbraw/zinc/46/93/74/446469374.db2.gz AAISTPXVCDOAAL-QFBILLFUSA-N 3 1 349.519 1.762 20 0 EDADMP COc1ccc([C@H](CN)C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000420306187 446469381 /nfs/dbraw/zinc/46/93/81/446469381.db2.gz AAISTPXVCDOAAL-QFBILLFUSA-N 2 1 349.519 1.762 20 0 EDADMP COc1ccc([C@H](CN)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000420306187 446469384 /nfs/dbraw/zinc/46/93/84/446469384.db2.gz AAISTPXVCDOAAL-QFBILLFUSA-N 2 1 349.519 1.762 20 0 EDADMP COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000420315262 446480263 /nfs/dbraw/zinc/48/02/63/446480263.db2.gz WTMRDRRKFQOSLN-PYJNHQTQSA-N 2 1 349.456 1.309 20 0 EDADMP COC(=O)c1ccsc1N1CC[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000420315262 446480266 /nfs/dbraw/zinc/48/02/66/446480266.db2.gz WTMRDRRKFQOSLN-PYJNHQTQSA-N 2 1 349.456 1.309 20 0 EDADMP CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000420317525 446484327 /nfs/dbraw/zinc/48/43/27/446484327.db2.gz UWRYIJMYQJGAHM-MRXNPFEDSA-N 2 1 347.459 1.644 20 0 EDADMP CC(C)[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)[NH3+] ZINC000423316623 446486714 /nfs/dbraw/zinc/48/67/14/446486714.db2.gz AGJPNMKHSRMSOW-QAPCUYQASA-N 2 1 333.476 1.754 20 0 EDADMP Cn1ccnc1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420321065 446487367 /nfs/dbraw/zinc/48/73/67/446487367.db2.gz ZJXUOIKHDMBYJL-DLBZAZTESA-N 3 1 331.508 1.754 20 0 EDADMP Cn1ccnc1CN(CC[C@@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420321065 446487375 /nfs/dbraw/zinc/48/73/75/446487375.db2.gz ZJXUOIKHDMBYJL-DLBZAZTESA-N 2 1 331.508 1.754 20 0 EDADMP CCc1ccc([C@@H]2C[NH2+]CCN2CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000420320820 446487462 /nfs/dbraw/zinc/48/74/62/446487462.db2.gz ZEZYVNVNISBEMC-IBGZPJMESA-N 2 1 344.503 1.359 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)COC2CC[NH2+]CC2)C1 ZINC000423322952 446488161 /nfs/dbraw/zinc/48/81/61/446488161.db2.gz HQYTYMJTHHLDIT-IYBDPMFKSA-N 2 1 325.497 1.629 20 0 EDADMP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420321941 446488318 /nfs/dbraw/zinc/48/83/18/446488318.db2.gz DGSPOZUYFVQNII-RBUKOAKNSA-N 2 1 345.487 1.771 20 0 EDADMP Nc1ncnc(NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1Cl ZINC000376426399 446490125 /nfs/dbraw/zinc/49/01/25/446490125.db2.gz LEEBKENSKLWMDM-ZDUSSCGKSA-N 2 1 332.839 2.431 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@@H]1CCOc2ccccc21 ZINC000420331512 446501255 /nfs/dbraw/zinc/50/12/55/446501255.db2.gz CBUCBLWURDVLEV-XYJFISCASA-N 2 1 343.471 1.948 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423367602 446503619 /nfs/dbraw/zinc/50/36/19/446503619.db2.gz DJBSRKAXHSPLGF-GJZGRUSLSA-N 2 1 333.480 1.491 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423372385 446506527 /nfs/dbraw/zinc/50/65/27/446506527.db2.gz GDUCIJJPVGASAN-UONOGXRCSA-N 2 1 331.464 1.623 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000423376073 446509072 /nfs/dbraw/zinc/50/90/72/446509072.db2.gz AJHDQXQSPWQNOK-CVEARBPZSA-N 2 1 340.512 1.151 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C[C@@H]1C ZINC000423384388 446512021 /nfs/dbraw/zinc/51/20/21/446512021.db2.gz QADDUPDUYVCBOE-HRCADAONSA-N 2 1 340.512 1.149 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420341106 446512332 /nfs/dbraw/zinc/51/23/32/446512332.db2.gz NQTDSNSJRNGGFS-MSOLQXFVSA-N 2 1 345.487 1.975 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCc1ccc(F)cc1 ZINC000420343313 446515069 /nfs/dbraw/zinc/51/50/69/446515069.db2.gz QMYZIMWNXCQOQS-SJORKVTESA-N 2 1 333.451 1.806 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423341514 446497221 /nfs/dbraw/zinc/49/72/21/446497221.db2.gz XZEPAKYNSBTWCC-LSDHHAIUSA-N 2 1 333.480 1.301 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423358918 446498576 /nfs/dbraw/zinc/49/85/76/446498576.db2.gz OGRBWXZUJLYAOP-CBZIJGRNSA-N 2 1 337.508 1.722 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C(=O)OC ZINC000420330523 446499038 /nfs/dbraw/zinc/49/90/38/446499038.db2.gz QASXSUZIMAHPIK-JKQORVJESA-N 2 1 339.480 1.012 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433371538 446565788 /nfs/dbraw/zinc/56/57/88/446565788.db2.gz BJADFXAJIPJGHV-HUUCEWRRSA-N 2 1 334.468 1.197 20 0 EDADMP COC(=O)c1coc([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000423399193 446518505 /nfs/dbraw/zinc/51/85/05/446518505.db2.gz WBYLKEGYMGOWKN-MFKMUULPSA-N 2 1 349.353 1.553 20 0 EDADMP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2n(n1)CCC2 ZINC000423404391 446520189 /nfs/dbraw/zinc/52/01/89/446520189.db2.gz YGRKWABDLRJPPI-SMDDNHRTSA-N 2 1 331.386 1.316 20 0 EDADMP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347240 446520807 /nfs/dbraw/zinc/52/08/07/446520807.db2.gz FYHTYSHJEXQLHU-SFHVURJKSA-N 2 1 344.503 1.729 20 0 EDADMP CCc1cccc(CC)c1NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347240 446520815 /nfs/dbraw/zinc/52/08/15/446520815.db2.gz FYHTYSHJEXQLHU-SFHVURJKSA-N 2 1 344.503 1.729 20 0 EDADMP CSc1cccc(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420351550 446530360 /nfs/dbraw/zinc/53/03/60/446530360.db2.gz XFIJBCRPNLLOMK-HNNXBMFYSA-N 2 1 334.489 1.327 20 0 EDADMP CSc1cccc(NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420351550 446530366 /nfs/dbraw/zinc/53/03/66/446530366.db2.gz XFIJBCRPNLLOMK-HNNXBMFYSA-N 2 1 334.489 1.327 20 0 EDADMP O=C(N[C@H]1CCC[NH2+]C1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418496751 446567205 /nfs/dbraw/zinc/56/72/05/446567205.db2.gz GBLAARUFBLFLGP-QRVBRYPASA-N 2 1 342.487 1.902 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000418411310 446533840 /nfs/dbraw/zinc/53/38/40/446533840.db2.gz PDUGDHNGQOBDSO-ARFHVFGLSA-N 2 1 326.485 1.256 20 0 EDADMP CC[C@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000423432519 446534557 /nfs/dbraw/zinc/53/45/57/446534557.db2.gz ONCDKYCFCCCPAW-ZWKOTPCHSA-N 2 1 345.487 1.911 20 0 EDADMP CC[C@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000423432519 446534562 /nfs/dbraw/zinc/53/45/62/446534562.db2.gz ONCDKYCFCCCPAW-ZWKOTPCHSA-N 2 1 345.487 1.911 20 0 EDADMP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000433139401 446535456 /nfs/dbraw/zinc/53/54/56/446535456.db2.gz XFFUCSYBOUKETP-LJQANCHMSA-N 3 1 344.503 1.580 20 0 EDADMP CS(=O)(=O)c1ccc2c(c1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420365068 446544980 /nfs/dbraw/zinc/54/49/80/446544980.db2.gz DMAVUXHLAALYCP-HNNXBMFYSA-N 2 1 336.501 1.880 20 0 EDADMP COC1([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453124166 446545157 /nfs/dbraw/zinc/54/51/57/446545157.db2.gz NRPPKJPAPLLTFH-MJGOQNOKSA-N 2 1 348.487 1.797 20 0 EDADMP COC1([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453124166 446545162 /nfs/dbraw/zinc/54/51/62/446545162.db2.gz NRPPKJPAPLLTFH-MJGOQNOKSA-N 2 1 348.487 1.797 20 0 EDADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000423479572 446551982 /nfs/dbraw/zinc/55/19/82/446551982.db2.gz OGYXYLVXDAFNNN-WCQYABFASA-N 2 1 332.416 1.986 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000418470076 446556313 /nfs/dbraw/zinc/55/63/13/446556313.db2.gz QJAXPRJDXDHKEU-HNNXBMFYSA-N 2 1 327.517 1.171 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000418470076 446556321 /nfs/dbraw/zinc/55/63/21/446556321.db2.gz QJAXPRJDXDHKEU-HNNXBMFYSA-N 2 1 327.517 1.171 20 0 EDADMP O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000433391026 446568256 /nfs/dbraw/zinc/56/82/56/446568256.db2.gz UELYURLCQOHURG-MRXNPFEDSA-N 2 1 346.479 1.293 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418510244 446573206 /nfs/dbraw/zinc/57/32/06/446573206.db2.gz HVPYDJWLDJZYOM-CQSZACIVSA-N 2 1 340.418 1.886 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418510244 446573212 /nfs/dbraw/zinc/57/32/12/446573212.db2.gz HVPYDJWLDJZYOM-CQSZACIVSA-N 2 1 340.418 1.886 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C3CCC3)CC2)CCCO1 ZINC000433462867 446577097 /nfs/dbraw/zinc/57/70/97/446577097.db2.gz MKEITIZRRBLSMQ-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000420405814 446577894 /nfs/dbraw/zinc/57/78/94/446577894.db2.gz UBQRCZWIKHICGJ-ZWKOTPCHSA-N 2 1 344.503 1.321 20 0 EDADMP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)[C@H](C)C1 ZINC000411521271 446582098 /nfs/dbraw/zinc/58/20/98/446582098.db2.gz SPYYDWJPPDXBPQ-OAHLLOKOSA-N 2 1 346.475 1.548 20 0 EDADMP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)[C@H](C)C1 ZINC000411521271 446582102 /nfs/dbraw/zinc/58/21/02/446582102.db2.gz SPYYDWJPPDXBPQ-OAHLLOKOSA-N 2 1 346.475 1.548 20 0 EDADMP CCS(=O)(=O)NCCC[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000371025714 446582200 /nfs/dbraw/zinc/58/22/00/446582200.db2.gz OQZGMYZEMGBHKZ-UHFFFAOYSA-N 2 1 340.493 1.596 20 0 EDADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000418556363 446593669 /nfs/dbraw/zinc/59/36/69/446593669.db2.gz FJAJXIJKISNPGC-HOCLYGCPSA-N 2 1 336.505 1.616 20 0 EDADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000418587661 446603827 /nfs/dbraw/zinc/60/38/27/446603827.db2.gz GYUSWPRIXSBZGE-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000376684394 446649361 /nfs/dbraw/zinc/64/93/61/446649361.db2.gz BANRQEIONBKYMI-ZFWWWQNUSA-N 2 1 334.468 1.254 20 0 EDADMP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000434258490 446632804 /nfs/dbraw/zinc/63/28/04/446632804.db2.gz CRMOYJLIZVYCSC-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000434258490 446632809 /nfs/dbraw/zinc/63/28/09/446632809.db2.gz CRMOYJLIZVYCSC-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000434258490 446632812 /nfs/dbraw/zinc/63/28/12/446632812.db2.gz CRMOYJLIZVYCSC-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000434258490 446632819 /nfs/dbraw/zinc/63/28/19/446632819.db2.gz CRMOYJLIZVYCSC-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP O[C@@H](COC1CCOCC1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371205247 446688038 /nfs/dbraw/zinc/68/80/38/446688038.db2.gz PVCSZHNJQOIDHL-ZWKOTPCHSA-N 2 1 340.508 1.741 20 0 EDADMP O[C@@H](COC1CCOCC1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371205247 446688043 /nfs/dbraw/zinc/68/80/43/446688043.db2.gz PVCSZHNJQOIDHL-ZWKOTPCHSA-N 2 1 340.508 1.741 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCC[C@]3(C)[NH3+])CC2)cn1 ZINC000423760054 446689319 /nfs/dbraw/zinc/68/93/19/446689319.db2.gz PVGBAOGNTCPSRL-AEFFLSMTSA-N 2 1 333.480 1.362 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCCC[C@]3(C)[NH3+])CC2)cn1 ZINC000423760054 446689324 /nfs/dbraw/zinc/68/93/24/446689324.db2.gz PVGBAOGNTCPSRL-AEFFLSMTSA-N 2 1 333.480 1.362 20 0 EDADMP C[NH+](C)CCOC1CCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)CC1 ZINC000435348677 446694772 /nfs/dbraw/zinc/69/47/72/446694772.db2.gz DTKSTDBIOPAYJL-OAHLLOKOSA-N 2 1 349.479 1.615 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)cn1 ZINC000423767359 446694805 /nfs/dbraw/zinc/69/48/05/446694805.db2.gz YSLPQTDJQLRUGK-IRXDYDNUSA-N 2 1 333.480 1.455 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)cn1 ZINC000423767359 446694812 /nfs/dbraw/zinc/69/48/12/446694812.db2.gz YSLPQTDJQLRUGK-IRXDYDNUSA-N 2 1 333.480 1.455 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000423770657 446696598 /nfs/dbraw/zinc/69/65/98/446696598.db2.gz DNKULUPOSFKBBY-NXHRZFHOSA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@H]1CN(C(=O)C2(OC)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423818452 446707773 /nfs/dbraw/zinc/70/77/73/446707773.db2.gz DKWVWLTWPKLPDS-SFHVURJKSA-N 2 1 345.487 1.878 20 0 EDADMP CC[C@H]1CN(C(=O)C2(OC)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423818452 446707782 /nfs/dbraw/zinc/70/77/82/446707782.db2.gz DKWVWLTWPKLPDS-SFHVURJKSA-N 2 1 345.487 1.878 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000423822732 446712034 /nfs/dbraw/zinc/71/20/34/446712034.db2.gz JXSYLHJHTCKVHZ-ICSRJNTNSA-N 2 1 345.487 1.736 20 0 EDADMP COCC[C@@]1(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000423846364 446728381 /nfs/dbraw/zinc/72/83/81/446728381.db2.gz PBNHSZYVLOHDIW-LPHOPBHVSA-N 2 1 333.476 1.639 20 0 EDADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371294608 446750066 /nfs/dbraw/zinc/75/00/66/446750066.db2.gz LWRBRYANNUUKLN-KVPLUYHFSA-N 2 1 348.487 1.918 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@@H]1c1ccccc1 ZINC000423926956 446776303 /nfs/dbraw/zinc/77/63/03/446776303.db2.gz FHZBKOOJSOGLCW-YSHGAJCASA-N 2 1 345.487 1.953 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@@H]1c1ccccc1 ZINC000423926956 446776312 /nfs/dbraw/zinc/77/63/12/446776312.db2.gz FHZBKOOJSOGLCW-YSHGAJCASA-N 2 1 345.487 1.953 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1)C1CC1 ZINC000412015350 446786183 /nfs/dbraw/zinc/78/61/83/446786183.db2.gz ZXFDVPZNXNLUOO-MOPGFXCFSA-N 2 1 348.487 1.562 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1)C1CC1 ZINC000412015350 446786187 /nfs/dbraw/zinc/78/61/87/446786187.db2.gz ZXFDVPZNXNLUOO-MOPGFXCFSA-N 2 1 348.487 1.562 20 0 EDADMP CCCCN1CCOC[C@@H]1C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000376933450 446804649 /nfs/dbraw/zinc/80/46/49/446804649.db2.gz PTROCLUXLQUTGD-IXDOHACOSA-N 2 1 341.496 1.055 20 0 EDADMP CCCCN1CCOC[C@@H]1C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000376933450 446804656 /nfs/dbraw/zinc/80/46/56/446804656.db2.gz PTROCLUXLQUTGD-IXDOHACOSA-N 2 1 341.496 1.055 20 0 EDADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000377008085 446857208 /nfs/dbraw/zinc/85/72/08/446857208.db2.gz STOVYZGEGKYHKL-ROUUACIJSA-N 2 1 338.540 1.750 20 0 EDADMP OCC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)COC1 ZINC000368444764 446867087 /nfs/dbraw/zinc/86/70/87/446867087.db2.gz CUEJQUYFOJWNMF-RBUKOAKNSA-N 2 1 330.472 1.982 20 0 EDADMP OCC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)COC1 ZINC000368444764 446867096 /nfs/dbraw/zinc/86/70/96/446867096.db2.gz CUEJQUYFOJWNMF-RBUKOAKNSA-N 2 1 330.472 1.982 20 0 EDADMP OCC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)COC1 ZINC000368444764 446867099 /nfs/dbraw/zinc/86/70/99/446867099.db2.gz CUEJQUYFOJWNMF-RBUKOAKNSA-N 2 1 330.472 1.982 20 0 EDADMP C[C@@H]1C[N@H+]([C@@H]2Cc3ccccc3[C@H]2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371472954 446879988 /nfs/dbraw/zinc/87/99/88/446879988.db2.gz JGKRWKWFRBDADJ-HUYLIWGRSA-N 2 1 329.488 1.603 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000419047010 446883430 /nfs/dbraw/zinc/88/34/30/446883430.db2.gz RALMZAKPAXBFOI-USXIJHARSA-N 2 1 346.475 1.038 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C1(C)C ZINC000371513466 446906029 /nfs/dbraw/zinc/90/60/29/446906029.db2.gz FJCOLHDNUYFWIO-IXDOHACOSA-N 2 1 325.497 1.186 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412271628 446917851 /nfs/dbraw/zinc/91/78/51/446917851.db2.gz QJOQOWVTTYHRMH-QGZVFWFLSA-N 2 1 345.487 1.811 20 0 EDADMP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000420958782 446930963 /nfs/dbraw/zinc/93/09/63/446930963.db2.gz FHWHQKDDIRFQGS-OALUTQOASA-N 2 1 334.460 1.802 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000442762844 446955724 /nfs/dbraw/zinc/95/57/24/446955724.db2.gz FVUXDPYCORDUNF-CABCVRRESA-N 2 1 334.439 1.143 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000442762844 446955730 /nfs/dbraw/zinc/95/57/30/446955730.db2.gz FVUXDPYCORDUNF-CABCVRRESA-N 2 1 334.439 1.143 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000413126567 447019283 /nfs/dbraw/zinc/01/92/83/447019283.db2.gz HWQCSSWWBOZWKW-CRAIPNDOSA-N 2 1 330.476 1.827 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000413126567 447019287 /nfs/dbraw/zinc/01/92/87/447019287.db2.gz HWQCSSWWBOZWKW-CRAIPNDOSA-N 2 1 330.476 1.827 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000413126567 447019298 /nfs/dbraw/zinc/01/92/98/447019298.db2.gz HWQCSSWWBOZWKW-CRAIPNDOSA-N 2 1 330.476 1.827 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419169170 446984816 /nfs/dbraw/zinc/98/48/16/446984816.db2.gz LUYUFQDLTJIYFA-CVEARBPZSA-N 2 1 338.496 1.016 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000413096637 446997537 /nfs/dbraw/zinc/99/75/37/446997537.db2.gz FHOKDTYOSBWTGM-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000413096637 446997545 /nfs/dbraw/zinc/99/75/45/446997545.db2.gz FHOKDTYOSBWTGM-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000413096637 446997550 /nfs/dbraw/zinc/99/75/50/446997550.db2.gz FHOKDTYOSBWTGM-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000372095346 446998635 /nfs/dbraw/zinc/99/86/35/446998635.db2.gz MXNWMIQGXQWTIB-LVQVYYBASA-N 2 1 341.521 1.087 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443059262 447002771 /nfs/dbraw/zinc/00/27/71/447002771.db2.gz MDZIDXUVQNQTGB-ZIAGYGMSSA-N 2 1 333.432 1.846 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000368699906 447049270 /nfs/dbraw/zinc/04/92/70/447049270.db2.gz KRLHCNYZMVIYFW-MRXNPFEDSA-N 2 1 345.491 1.247 20 0 EDADMP CC(C)n1cc(CN2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)cn1 ZINC000372417728 447055399 /nfs/dbraw/zinc/05/53/99/447055399.db2.gz XJCKXTBSLSYJAY-WMZOPIPTSA-N 2 1 335.496 1.301 20 0 EDADMP CC(C)n1cc(CN2CCN(C[C@@H]3CN(C)CCO3)C[C@@H]2C)cn1 ZINC000372417728 447055405 /nfs/dbraw/zinc/05/54/05/447055405.db2.gz XJCKXTBSLSYJAY-WMZOPIPTSA-N 2 1 335.496 1.301 20 0 EDADMP C[C@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1CCC[NH+]1CCCCC1 ZINC000372461180 447063591 /nfs/dbraw/zinc/06/35/91/447063591.db2.gz ZQWKNNZLFFARFR-RBUKOAKNSA-N 2 1 338.540 1.199 20 0 EDADMP CCCS(=O)(=O)CCN1CC[C@H](CNc2cc(C)ccn2)C1 ZINC000375807850 447067212 /nfs/dbraw/zinc/06/72/12/447067212.db2.gz CZXUTVQBHCOGGO-OAHLLOKOSA-N 2 1 325.478 1.949 20 0 EDADMP COCC[N@H+](C)CCNC(=O)N1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000413251986 447095560 /nfs/dbraw/zinc/09/55/60/447095560.db2.gz YBEVOZUCBGZYAJ-QGZVFWFLSA-N 2 1 348.491 1.481 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000413251986 447095565 /nfs/dbraw/zinc/09/55/65/447095565.db2.gz YBEVOZUCBGZYAJ-QGZVFWFLSA-N 2 1 348.491 1.481 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000413251986 447095571 /nfs/dbraw/zinc/09/55/71/447095571.db2.gz YBEVOZUCBGZYAJ-QGZVFWFLSA-N 2 1 348.491 1.481 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000413251986 447095574 /nfs/dbraw/zinc/09/55/74/447095574.db2.gz YBEVOZUCBGZYAJ-QGZVFWFLSA-N 2 1 348.491 1.481 20 0 EDADMP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375906732 447138823 /nfs/dbraw/zinc/13/88/23/447138823.db2.gz PTWWNDCGUCPNMS-ZWKOTPCHSA-N 2 1 338.540 1.638 20 0 EDADMP CC(C)CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375906732 447138833 /nfs/dbraw/zinc/13/88/33/447138833.db2.gz PTWWNDCGUCPNMS-ZWKOTPCHSA-N 2 1 338.540 1.638 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)CC1 ZINC000421365917 447142329 /nfs/dbraw/zinc/14/23/29/447142329.db2.gz VDQWYWRLSTUYKZ-SFHVURJKSA-N 2 1 347.503 1.800 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H](CO)OC(C)(C)C2)CC1 ZINC000421365917 447142336 /nfs/dbraw/zinc/14/23/36/447142336.db2.gz VDQWYWRLSTUYKZ-SFHVURJKSA-N 2 1 347.503 1.800 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C2)c1 ZINC000377486279 447157871 /nfs/dbraw/zinc/15/78/71/447157871.db2.gz FNJRTXWZSUJWRF-CABCVRRESA-N 2 1 347.463 1.747 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3)C2)CC1 ZINC000375892490 447126682 /nfs/dbraw/zinc/12/66/82/447126682.db2.gz VHWKIKUYRCFGNP-OALUTQOASA-N 2 1 347.503 1.527 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000425508968 447203798 /nfs/dbraw/zinc/20/37/98/447203798.db2.gz ODKORIPUXCUGRU-UHFFFAOYSA-N 2 1 338.496 1.391 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000419474565 447207335 /nfs/dbraw/zinc/20/73/35/447207335.db2.gz CJTTWRVUONROCW-BZUAXINKSA-N 2 1 338.496 1.001 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000419478380 447211021 /nfs/dbraw/zinc/21/10/21/447211021.db2.gz JJRLPJZKHCUVEY-JKSUJKDBSA-N 2 1 340.512 1.247 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446039294 447218000 /nfs/dbraw/zinc/21/80/00/447218000.db2.gz LCDDJLOUZZIYJV-UHFFFAOYSA-N 2 1 334.464 1.186 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCC[N@H+]1C ZINC000419544429 447255012 /nfs/dbraw/zinc/25/50/12/447255012.db2.gz HRIBTCTXVCACIF-HOCLYGCPSA-N 2 1 338.496 1.014 20 0 EDADMP CC[C@@H](C)NC(=O)C[N@@H+](C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000372719265 447244387 /nfs/dbraw/zinc/24/43/87/447244387.db2.gz SULPFQSQRGAQML-CYBMUJFWSA-N 2 1 333.480 1.909 20 0 EDADMP CC[C@@H](C)NC(=O)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000372719265 447244391 /nfs/dbraw/zinc/24/43/91/447244391.db2.gz SULPFQSQRGAQML-CYBMUJFWSA-N 2 1 333.480 1.909 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369047056 447286191 /nfs/dbraw/zinc/28/61/91/447286191.db2.gz KRUBLUYIJKECLL-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)c2C1 ZINC000415471235 447463228 /nfs/dbraw/zinc/46/32/28/447463228.db2.gz ZCADRZAZLKMCLY-CJNGLKHVSA-N 2 1 344.459 1.546 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)c2C1 ZINC000415471235 447463231 /nfs/dbraw/zinc/46/32/31/447463231.db2.gz ZCADRZAZLKMCLY-CJNGLKHVSA-N 2 1 344.459 1.546 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000458731046 447465573 /nfs/dbraw/zinc/46/55/73/447465573.db2.gz SCFJQGBYIAMIMZ-DLBZAZTESA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000458731046 447465577 /nfs/dbraw/zinc/46/55/77/447465577.db2.gz SCFJQGBYIAMIMZ-DLBZAZTESA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000458731046 447465583 /nfs/dbraw/zinc/46/55/83/447465583.db2.gz SCFJQGBYIAMIMZ-DLBZAZTESA-N 2 1 340.512 1.611 20 0 EDADMP O[C@H](CNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(F)(F)F ZINC000390890782 447504451 /nfs/dbraw/zinc/50/44/51/447504451.db2.gz ZBAHHWHJRATRES-LSDHHAIUSA-N 2 1 332.366 1.790 20 0 EDADMP O[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)C(F)(F)F ZINC000390890782 447504458 /nfs/dbraw/zinc/50/44/58/447504458.db2.gz ZBAHHWHJRATRES-LSDHHAIUSA-N 2 1 332.366 1.790 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000390896000 447504721 /nfs/dbraw/zinc/50/47/21/447504721.db2.gz KFSDPUFGPAKSTN-QZTJIDSGSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390902443 447505327 /nfs/dbraw/zinc/50/53/27/447505327.db2.gz VNHJYWPVPLARNK-MAUKXSAKSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000390911485 447507365 /nfs/dbraw/zinc/50/73/65/447507365.db2.gz XGUKNAFIZPDKCA-HKUYNNGSSA-N 2 1 331.460 1.393 20 0 EDADMP CCc1nn(C)cc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392465148 447524292 /nfs/dbraw/zinc/52/42/92/447524292.db2.gz BJFHHFRGRBYYDS-YOEHRIQHSA-N 2 1 333.480 1.063 20 0 EDADMP c1ccc(CN2CCN(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000400924834 447575106 /nfs/dbraw/zinc/57/51/06/447575106.db2.gz HAXWVQYSOIPAIV-QHAWAJNXSA-N 2 1 342.531 1.782 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CCCC1 ZINC000457436737 447580627 /nfs/dbraw/zinc/58/06/27/447580627.db2.gz KFPYTXYPMAXDMV-HNNXBMFYSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC000394408028 447538089 /nfs/dbraw/zinc/53/80/89/447538089.db2.gz MIIMQUFARFIKDM-OWCLPIDISA-N 2 1 340.512 1.467 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC(C)(C)C[NH+](C)C)cc2)CC1 ZINC000457201572 447538789 /nfs/dbraw/zinc/53/87/89/447538789.db2.gz GEQHFHGJGKSVIJ-UHFFFAOYSA-N 2 1 332.492 1.504 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000427202848 447561921 /nfs/dbraw/zinc/56/19/21/447561921.db2.gz HLBXSEBFSTUGIM-UHFFFAOYSA-N 2 1 336.524 1.393 20 0 EDADMP CN(C)c1nc(N2CCN(CCn3cc(Cl)cn3)CC2)cc[nH+]1 ZINC000459343559 447640682 /nfs/dbraw/zinc/64/06/82/447640682.db2.gz QLAYFSULVRNNOA-UHFFFAOYSA-N 2 1 335.843 1.215 20 0 EDADMP C[C@@H]1NC(=O)N(CC[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000459349722 447642547 /nfs/dbraw/zinc/64/25/47/447642547.db2.gz FPRCUROPUBUIBM-DOTOQJQBSA-N 2 1 344.459 1.381 20 0 EDADMP C[C@@H]1NC(=O)N(CC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000459349722 447642550 /nfs/dbraw/zinc/64/25/50/447642550.db2.gz FPRCUROPUBUIBM-DOTOQJQBSA-N 2 1 344.459 1.381 20 0 EDADMP C[C@@H]1NC(=O)N(CC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000459349722 447642553 /nfs/dbraw/zinc/64/25/53/447642553.db2.gz FPRCUROPUBUIBM-DOTOQJQBSA-N 2 1 344.459 1.381 20 0 EDADMP C[C@@H]1NC(=O)N(CC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000459349722 447642557 /nfs/dbraw/zinc/64/25/57/447642557.db2.gz FPRCUROPUBUIBM-DOTOQJQBSA-N 2 1 344.459 1.381 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000459349497 447642713 /nfs/dbraw/zinc/64/27/13/447642713.db2.gz FBWSOUQRRXAAGH-MRXNPFEDSA-N 2 1 334.464 1.992 20 0 EDADMP COCC[NH2+]CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404264722 447598374 /nfs/dbraw/zinc/59/83/74/447598374.db2.gz GOUNQRVLMWUHHI-GVDBMIGSSA-N 2 1 333.476 1.732 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000420140132 447630195 /nfs/dbraw/zinc/63/01/95/447630195.db2.gz GSFVTVHZBOJMPV-XHSDSOJGSA-N 2 1 338.496 1.094 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000416849593 447695660 /nfs/dbraw/zinc/69/56/60/447695660.db2.gz YFTPZFHJXXSSCP-NSHDSACASA-N 2 1 332.420 1.778 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000416875146 447700430 /nfs/dbraw/zinc/70/04/30/447700430.db2.gz UXGKWCSYRGXHPS-IAGOWNOFSA-N 2 1 340.512 1.550 20 0 EDADMP CC1(C)CN(CN2C[C@]3(CN4CCC3CC4)OC2=O)[C@@H]2COC[C@@H]21 ZINC000495934280 447654697 /nfs/dbraw/zinc/65/46/97/447654697.db2.gz KVXBFNOBDJBFOG-DAYGRLMNSA-N 2 1 335.448 1.217 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)NC1CC[NH+](CC2CC2)CC1 ZINC000457870338 447656204 /nfs/dbraw/zinc/65/62/04/447656204.db2.gz ZGRNRVCZNBYCRW-KRWDZBQOSA-N 2 1 338.496 1.007 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@@H]1CCCC[NH+]1CCO)Cc1ccccc1 ZINC000457940284 447678642 /nfs/dbraw/zinc/67/86/42/447678642.db2.gz QJADKROBBYDKRZ-SFHVURJKSA-N 2 1 348.491 1.264 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)Cc1ccccc1 ZINC000457940284 447678646 /nfs/dbraw/zinc/67/86/46/447678646.db2.gz QJADKROBBYDKRZ-SFHVURJKSA-N 2 1 348.491 1.264 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)Cc1ccccc1 ZINC000457940284 447678652 /nfs/dbraw/zinc/67/86/52/447678652.db2.gz QJADKROBBYDKRZ-SFHVURJKSA-N 2 1 348.491 1.264 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000416914449 447708008 /nfs/dbraw/zinc/70/80/08/447708008.db2.gz FQCJHCLQJVFHOW-ZNMIVQPWSA-N 2 1 340.512 1.643 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000416914449 447708010 /nfs/dbraw/zinc/70/80/10/447708010.db2.gz FQCJHCLQJVFHOW-ZNMIVQPWSA-N 2 1 340.512 1.643 20 0 EDADMP Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000459469782 447679006 /nfs/dbraw/zinc/67/90/06/447679006.db2.gz MRHMRLGTWKCACT-LJQANCHMSA-N 2 1 328.460 1.934 20 0 EDADMP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)[NH+](C)C)cc1 ZINC000458049173 447708212 /nfs/dbraw/zinc/70/82/12/447708212.db2.gz PVTMPYJFZUQSFO-AEFFLSMTSA-N 2 1 348.491 1.306 20 0 EDADMP Cc1ccc([C@H](CNC(=O)N2CC[N@H+](CCO)C[C@H]2C)[NH+](C)C)cc1 ZINC000458049173 447708218 /nfs/dbraw/zinc/70/82/18/447708218.db2.gz PVTMPYJFZUQSFO-AEFFLSMTSA-N 2 1 348.491 1.306 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000422637370 447682381 /nfs/dbraw/zinc/68/23/81/447682381.db2.gz OLBVSFYFPXEJMQ-OUAUKWLOSA-N 2 1 338.374 1.070 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000416759190 447685207 /nfs/dbraw/zinc/68/52/07/447685207.db2.gz MIWKGTPQUDGTTQ-HUUCEWRRSA-N 2 1 334.464 1.667 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000410086897 447687272 /nfs/dbraw/zinc/68/72/72/447687272.db2.gz XGLIIKNPSWLFPO-HHXXYDBFSA-N 2 1 339.439 1.896 20 0 EDADMP CSC[C@@H]1CCC[N@@H+]1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496091699 447709822 /nfs/dbraw/zinc/70/98/22/447709822.db2.gz JISPGHHNLZUSHB-HOCLYGCPSA-N 2 1 325.478 1.688 20 0 EDADMP CSC[C@@H]1CCC[N@H+]1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496091699 447709827 /nfs/dbraw/zinc/70/98/27/447709827.db2.gz JISPGHHNLZUSHB-HOCLYGCPSA-N 2 1 325.478 1.688 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)[NH+]1CCOCC1 ZINC000416939927 447716768 /nfs/dbraw/zinc/71/67/68/447716768.db2.gz NXBCNXKWIYTWIY-DLBZAZTESA-N 2 1 342.528 1.748 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[NH+]1CCOCC1 ZINC000416950129 447723772 /nfs/dbraw/zinc/72/37/72/447723772.db2.gz HSAJMQOIYXKOGD-XIRDDKMYSA-N 2 1 340.512 1.502 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN[C@@H]2C(=O)OCC)[C@@H](C)C1 ZINC000422743096 447734886 /nfs/dbraw/zinc/73/48/86/447734886.db2.gz HVXVDYPEKYHMKV-NXOAAHMSSA-N 2 1 341.496 1.007 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN[C@@H]2C(=O)OCC)[C@@H](C)C1 ZINC000422743096 447734888 /nfs/dbraw/zinc/73/48/88/447734888.db2.gz HVXVDYPEKYHMKV-NXOAAHMSSA-N 2 1 341.496 1.007 20 0 EDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422878192 447770462 /nfs/dbraw/zinc/77/04/62/447770462.db2.gz JIRCQWFTZWFALG-KURKYZTESA-N 2 1 338.540 1.830 20 0 EDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422878192 447770465 /nfs/dbraw/zinc/77/04/65/447770465.db2.gz JIRCQWFTZWFALG-KURKYZTESA-N 2 1 338.540 1.830 20 0 EDADMP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)ccn1 ZINC000423023909 447793080 /nfs/dbraw/zinc/79/30/80/447793080.db2.gz KSURIBLKFPKTOR-KURKYZTESA-N 3 1 348.491 1.269 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@]3(CCOC3)C1)C[NH+]1CCC2CC1 ZINC000496668935 447844856 /nfs/dbraw/zinc/84/48/56/447844856.db2.gz UGWPCGPAYDXPSQ-ZWKOTPCHSA-N 2 1 335.448 1.363 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@]3(CCOC3)C1)C[NH+]1CCC2CC1 ZINC000496668935 447844858 /nfs/dbraw/zinc/84/48/58/447844858.db2.gz UGWPCGPAYDXPSQ-ZWKOTPCHSA-N 2 1 335.448 1.363 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@@]3(CCOC3)C1)C[NH+]1CCC2CC1 ZINC000496668933 447844968 /nfs/dbraw/zinc/84/49/68/447844968.db2.gz UGWPCGPAYDXPSQ-QZTJIDSGSA-N 2 1 335.448 1.363 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@]3(CCOC3)C1)C[NH+]1CCC2CC1 ZINC000496668933 447844970 /nfs/dbraw/zinc/84/49/70/447844970.db2.gz UGWPCGPAYDXPSQ-QZTJIDSGSA-N 2 1 335.448 1.363 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC000488530275 447848540 /nfs/dbraw/zinc/84/85/40/447848540.db2.gz KEXPRCPWGWBHMZ-KDURUIRLSA-N 2 1 333.476 1.674 20 0 EDADMP CN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000576037962 447955985 /nfs/dbraw/zinc/95/59/85/447955985.db2.gz IZTGIHNVZFNOKR-FUHWJXTLSA-N 2 1 348.466 1.139 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000530584080 447921894 /nfs/dbraw/zinc/92/18/94/447921894.db2.gz GNSFPADKITWUME-SFHVURJKSA-N 2 1 336.524 1.491 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CC[NH+](C)C3)c2)CCO1 ZINC000524300323 447924271 /nfs/dbraw/zinc/92/42/71/447924271.db2.gz KYOVRTVWXYFESJ-QAPCUYQASA-N 2 1 331.460 1.475 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CC[NH+](C)C3)c2)CCO1 ZINC000524300323 447924273 /nfs/dbraw/zinc/92/42/73/447924273.db2.gz KYOVRTVWXYFESJ-QAPCUYQASA-N 2 1 331.460 1.475 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@H]3CC[N@H+](C)C3)c2)CCO1 ZINC000524300323 447924276 /nfs/dbraw/zinc/92/42/76/447924276.db2.gz KYOVRTVWXYFESJ-QAPCUYQASA-N 2 1 331.460 1.475 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)c2)CCO1 ZINC000524300323 447924278 /nfs/dbraw/zinc/92/42/78/447924278.db2.gz KYOVRTVWXYFESJ-QAPCUYQASA-N 2 1 331.460 1.475 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000525294350 447989894 /nfs/dbraw/zinc/98/98/94/447989894.db2.gz NRYLVPATYKYEMW-HRCADAONSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000525294350 447989897 /nfs/dbraw/zinc/98/98/97/447989897.db2.gz NRYLVPATYKYEMW-HRCADAONSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000525294350 447989900 /nfs/dbraw/zinc/98/99/00/447989900.db2.gz NRYLVPATYKYEMW-HRCADAONSA-N 2 1 326.485 1.125 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3cnn(C)c3)CC2)CC1 ZINC000576259634 448013905 /nfs/dbraw/zinc/01/39/05/448013905.db2.gz LKQFBQSFGSAVJR-UHFFFAOYSA-N 2 1 347.507 1.575 20 0 EDADMP CC(C)c1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n(C)n1 ZINC000531308301 448059410 /nfs/dbraw/zinc/05/94/10/448059410.db2.gz SRUPLYMBDMYDPQ-UHFFFAOYSA-N 2 1 342.447 1.943 20 0 EDADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000576704476 448119997 /nfs/dbraw/zinc/11/99/97/448119997.db2.gz UMQHGMARHBZZDJ-VQTJNVASSA-N 3 1 330.520 1.564 20 0 EDADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000576704476 448120005 /nfs/dbraw/zinc/12/00/05/448120005.db2.gz UMQHGMARHBZZDJ-VQTJNVASSA-N 2 1 330.520 1.564 20 0 EDADMP Cc1ccc(NC(=O)CC[NH2+]CCCNc2ccc(C)c[nH+]2)nc1 ZINC000571198514 448122862 /nfs/dbraw/zinc/12/28/62/448122862.db2.gz NHGQMNXSERNFIN-UHFFFAOYSA-N 2 1 327.432 2.514 20 0 EDADMP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000576767665 448136277 /nfs/dbraw/zinc/13/62/77/448136277.db2.gz DJDUSINWGUKFIW-NVXWUHKLSA-N 2 1 339.443 1.139 20 0 EDADMP CC[C@H](NC(=O)/C=C\C[NH+](C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000492105439 448180405 /nfs/dbraw/zinc/18/04/05/448180405.db2.gz AIBUJTVIVROOJI-ULNHMINQSA-N 2 1 345.487 1.900 20 0 EDADMP CC[C@H](NC(=O)/C=C\C[NH+](C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000492105439 448180411 /nfs/dbraw/zinc/18/04/11/448180411.db2.gz AIBUJTVIVROOJI-ULNHMINQSA-N 2 1 345.487 1.900 20 0 EDADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOCCNC(=O)OC(C)(C)C)C2)C1 ZINC000497081606 448183157 /nfs/dbraw/zinc/18/31/57/448183157.db2.gz WIAXNGGAGAZEEB-SFHVURJKSA-N 2 1 341.496 1.945 20 0 EDADMP C[NH+]1CCC[C@]2(CC[N@H+](CCOCCNC(=O)OC(C)(C)C)C2)C1 ZINC000497081606 448183159 /nfs/dbraw/zinc/18/31/59/448183159.db2.gz WIAXNGGAGAZEEB-SFHVURJKSA-N 2 1 341.496 1.945 20 0 EDADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOCCNC(=O)OC(C)(C)C)C2)C1 ZINC000497081606 448183161 /nfs/dbraw/zinc/18/31/61/448183161.db2.gz WIAXNGGAGAZEEB-SFHVURJKSA-N 2 1 341.496 1.945 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000532093916 448200587 /nfs/dbraw/zinc/20/05/87/448200587.db2.gz QAOVEVWFXZZQKP-KSZLIROESA-N 2 1 336.524 1.486 20 0 EDADMP [NH3+][C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000577058455 448202259 /nfs/dbraw/zinc/20/22/59/448202259.db2.gz MXHBXCXNGOUEON-DZGCQCFKSA-N 2 1 336.867 1.316 20 0 EDADMP CN1CCC(CNC(=O)CC(F)(F)C[NH3+])([NH+]2CCCCC2)CC1 ZINC000514794759 448204648 /nfs/dbraw/zinc/20/46/48/448204648.db2.gz FARHMMPGKALVIH-UHFFFAOYSA-N 2 1 332.439 1.037 20 0 EDADMP C[C@@H](Cc1c[nH]cn1)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000577191037 448232782 /nfs/dbraw/zinc/23/27/82/448232782.db2.gz YPJYQVFMINAEAO-SUMWQHHRSA-N 2 1 328.416 1.794 20 0 EDADMP C[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000577191037 448232786 /nfs/dbraw/zinc/23/27/86/448232786.db2.gz YPJYQVFMINAEAO-SUMWQHHRSA-N 2 1 328.416 1.794 20 0 EDADMP C[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000577191037 448232791 /nfs/dbraw/zinc/23/27/91/448232791.db2.gz YPJYQVFMINAEAO-SUMWQHHRSA-N 2 1 328.416 1.794 20 0 EDADMP CS[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH+]1CCCC1 ZINC000582555432 448274011 /nfs/dbraw/zinc/27/40/11/448274011.db2.gz MYEUBHZTEYNPSN-HUUCEWRRSA-N 2 1 325.522 1.757 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000572291620 448338078 /nfs/dbraw/zinc/33/80/78/448338078.db2.gz UAZCOGYIMBJENI-NXHRZFHOSA-N 2 1 337.508 1.996 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C)C3C[NH2+]C3)CC2)cn1 ZINC000577629415 448347272 /nfs/dbraw/zinc/34/72/72/448347272.db2.gz ZWLFCMHZLFWEIX-HNNXBMFYSA-N 2 1 333.480 1.183 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](C)C3C[NH2+]C3)CC2)cn1 ZINC000577629415 448347279 /nfs/dbraw/zinc/34/72/79/448347279.db2.gz ZWLFCMHZLFWEIX-HNNXBMFYSA-N 2 1 333.480 1.183 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)COc1ccccc1F ZINC000572483002 448389455 /nfs/dbraw/zinc/38/94/55/448389455.db2.gz JVWMIYBCNZPGGT-HUUCEWRRSA-N 2 1 326.412 1.002 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCN1CCOC[C@H]1C ZINC000591574030 448393313 /nfs/dbraw/zinc/39/33/13/448393313.db2.gz UWRZDWHFYOCVBS-VVLHAWIVSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@@H](C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1C[NH2+]C1 ZINC000578010401 448438950 /nfs/dbraw/zinc/43/89/50/448438950.db2.gz ILJYYBCSIAMJDM-RVKKMQEKSA-N 2 1 331.460 1.248 20 0 EDADMP C[C@@H](C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1C[NH2+]C1 ZINC000578010401 448438956 /nfs/dbraw/zinc/43/89/56/448438956.db2.gz ILJYYBCSIAMJDM-RVKKMQEKSA-N 2 1 331.460 1.248 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000591701271 448460260 /nfs/dbraw/zinc/46/02/60/448460260.db2.gz MLWXFEFBZJAJFQ-CYBMUJFWSA-N 2 1 336.461 1.989 20 0 EDADMP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000572780833 448464324 /nfs/dbraw/zinc/46/43/24/448464324.db2.gz WPTNQKZEGXUPGW-ZHALLVOQSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000572780833 448464327 /nfs/dbraw/zinc/46/43/27/448464327.db2.gz WPTNQKZEGXUPGW-ZHALLVOQSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572780833 448464331 /nfs/dbraw/zinc/46/43/31/448464331.db2.gz WPTNQKZEGXUPGW-ZHALLVOQSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572780833 448464333 /nfs/dbraw/zinc/46/43/33/448464333.db2.gz WPTNQKZEGXUPGW-ZHALLVOQSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000572803071 448465980 /nfs/dbraw/zinc/46/59/80/448465980.db2.gz PYKMUWZZAKOXKU-OCCSQVGLSA-N 2 1 329.404 1.071 20 0 EDADMP C[C@H]1C[C@@H](CC[NH2+]CCC(=O)NC(N)=O)C[N@H+]1Cc1ccccc1 ZINC000591757047 448481985 /nfs/dbraw/zinc/48/19/85/448481985.db2.gz TXAQEWMQXBCXSG-GOEBONIOSA-N 2 1 332.448 1.462 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NCCc3cn(C)cn3)CC2)c1 ZINC000516912338 448492930 /nfs/dbraw/zinc/49/29/30/448492930.db2.gz WPMHVMMQLNSZHR-UHFFFAOYSA-N 2 1 341.459 1.798 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000591726514 448473239 /nfs/dbraw/zinc/47/32/39/448473239.db2.gz DQOSZGHZFFDWNG-BRWVUGGUSA-N 2 1 348.443 1.429 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000528413670 448519479 /nfs/dbraw/zinc/51/94/79/448519479.db2.gz DBZKGTJJUHTVBQ-SFHVURJKSA-N 2 1 326.444 1.872 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000528413670 448519486 /nfs/dbraw/zinc/51/94/86/448519486.db2.gz DBZKGTJJUHTVBQ-SFHVURJKSA-N 2 1 326.444 1.872 20 0 EDADMP C[C@@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000578354606 448527789 /nfs/dbraw/zinc/52/77/89/448527789.db2.gz PQEUQTSNJNIECL-IUGDKWEMSA-N 2 1 348.491 1.750 20 0 EDADMP [NH3+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000584528850 448558270 /nfs/dbraw/zinc/55/82/70/448558270.db2.gz BBYBTRAPYJZXQE-KRWDZBQOSA-N 2 1 331.460 1.211 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCCOc3ccc4ccccc4c3)CCN2C1=O ZINC000578550715 448578303 /nfs/dbraw/zinc/57/83/03/448578303.db2.gz MFSLRZDIPOTZPI-IEBWSBKVSA-N 2 1 339.439 1.853 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCCOc3ccc4ccccc4c3)CCN2C1=O ZINC000578550715 448578305 /nfs/dbraw/zinc/57/83/05/448578305.db2.gz MFSLRZDIPOTZPI-IEBWSBKVSA-N 2 1 339.439 1.853 20 0 EDADMP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000517141947 448543022 /nfs/dbraw/zinc/54/30/22/448543022.db2.gz IDYDMYRGCODPMN-ROUUACIJSA-N 2 1 330.476 1.061 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000584616788 448585532 /nfs/dbraw/zinc/58/55/32/448585532.db2.gz LPYKAAKVVXEHBY-FGTMMUONSA-N 2 1 330.476 1.219 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000584616788 448585541 /nfs/dbraw/zinc/58/55/41/448585541.db2.gz LPYKAAKVVXEHBY-FGTMMUONSA-N 2 1 330.476 1.219 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000584616788 448585548 /nfs/dbraw/zinc/58/55/48/448585548.db2.gz LPYKAAKVVXEHBY-FGTMMUONSA-N 2 1 330.476 1.219 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000578647789 448603247 /nfs/dbraw/zinc/60/32/47/448603247.db2.gz HTHAQDBSMNQQIW-HKUYNNGSSA-N 2 1 346.519 1.856 20 0 EDADMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000518031046 448640687 /nfs/dbraw/zinc/64/06/87/448640687.db2.gz JQEIRQQGTGGTQO-OWCLPIDISA-N 2 1 331.464 1.714 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000518031046 448640692 /nfs/dbraw/zinc/64/06/92/448640692.db2.gz JQEIRQQGTGGTQO-OWCLPIDISA-N 2 1 331.464 1.714 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 ZINC000528780507 448672994 /nfs/dbraw/zinc/67/29/94/448672994.db2.gz IJOLMCZAKQOZDM-SJORKVTESA-N 2 1 343.537 1.054 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])[C@H](C)C1 ZINC000584783034 448631436 /nfs/dbraw/zinc/63/14/36/448631436.db2.gz JJDFDFQPFMCHFF-WCXIOVBPSA-N 2 1 327.513 1.859 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000592095625 448679994 /nfs/dbraw/zinc/67/99/94/448679994.db2.gz YDXRXRAVEFCIHB-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000592095625 448679998 /nfs/dbraw/zinc/67/99/98/448679998.db2.gz YDXRXRAVEFCIHB-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000592095625 448680002 /nfs/dbraw/zinc/68/00/02/448680002.db2.gz YDXRXRAVEFCIHB-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1CN(C[C@@H](O)C[N@H+]2CCN(C)C3(CCCCC3)C2)C[C@H](C)O1 ZINC000573979179 448762046 /nfs/dbraw/zinc/76/20/46/448762046.db2.gz LSGUQJURJHBORZ-KSZLIROESA-N 2 1 339.524 1.407 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CC[NH+](C)C3(CCCCC3)C2)C[C@H](C)O1 ZINC000573979179 448762051 /nfs/dbraw/zinc/76/20/51/448762051.db2.gz LSGUQJURJHBORZ-KSZLIROESA-N 2 1 339.524 1.407 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H](O)CN2CC[NH+](C)C3(CCCCC3)C2)C[C@H](C)O1 ZINC000573979179 448762058 /nfs/dbraw/zinc/76/20/58/448762058.db2.gz LSGUQJURJHBORZ-KSZLIROESA-N 2 1 339.524 1.407 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000567677999 448734632 /nfs/dbraw/zinc/73/46/32/448734632.db2.gz GZLNMNZDVYBZKH-MAUKXSAKSA-N 2 1 334.460 1.647 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)CN2CCOCC2)C1 ZINC000573914311 448746039 /nfs/dbraw/zinc/74/60/39/448746039.db2.gz ZYYRJVCTOYIAQZ-FGTMMUONSA-N 2 1 327.513 1.027 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000567764304 448754997 /nfs/dbraw/zinc/75/49/97/448754997.db2.gz WENLGSFZHYMDHM-ARFHVFGLSA-N 2 1 326.485 1.221 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@H]1CCC[NH2+]C1 ZINC000519634085 448805503 /nfs/dbraw/zinc/80/55/03/448805503.db2.gz FCEXPYGJQCBEAD-ROUUACIJSA-N 2 1 330.476 1.807 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[NH2+]C[C@H]1C(C)C)[NH+](C)C ZINC000529280558 448806344 /nfs/dbraw/zinc/80/63/44/448806344.db2.gz CCUSWCRSGYSMNY-IRXDYDNUSA-N 2 1 348.491 1.937 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000592391391 448820275 /nfs/dbraw/zinc/82/02/75/448820275.db2.gz OYEOISFYROQJKU-SCTDSRPQSA-N 2 1 341.540 1.509 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000529362669 448841008 /nfs/dbraw/zinc/84/10/08/448841008.db2.gz YGNMFFGQXYKZRG-DJIMGWMZSA-N 2 1 332.492 1.929 20 0 EDADMP C[N@@H+](CCN1CCCC1=O)Cc1cccc(CN2CCOCC2)c1 ZINC000568380005 448865171 /nfs/dbraw/zinc/86/51/71/448865171.db2.gz POFCOIQHEQWEGY-UHFFFAOYSA-N 2 1 331.460 1.573 20 0 EDADMP COC(=O)c1cn([C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)nn1 ZINC000592495611 448863590 /nfs/dbraw/zinc/86/35/90/448863590.db2.gz NFMZTVKZJWGHAO-HNNXBMFYSA-N 2 1 335.452 1.481 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000579826134 448886519 /nfs/dbraw/zinc/88/65/19/448886519.db2.gz LAAGBZBGQNFAFX-OAHLLOKOSA-N 2 1 326.485 1.080 20 0 EDADMP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000521368594 448976381 /nfs/dbraw/zinc/97/63/81/448976381.db2.gz NUECZNROKCBDBP-MAUKXSAKSA-N 2 1 347.507 1.603 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000521368594 448976387 /nfs/dbraw/zinc/97/63/87/448976387.db2.gz NUECZNROKCBDBP-MAUKXSAKSA-N 2 1 347.507 1.603 20 0 EDADMP COc1cc(OC)c([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1Cl ZINC000521423740 448983884 /nfs/dbraw/zinc/98/38/84/448983884.db2.gz MMNLHENALVXYCP-LLVKDONJSA-N 2 1 341.839 1.440 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000569314029 448998058 /nfs/dbraw/zinc/99/80/58/448998058.db2.gz LAELSYARNVNSOR-KRWDZBQOSA-N 2 1 348.491 1.863 20 0 EDADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000574987413 449007207 /nfs/dbraw/zinc/00/72/07/449007207.db2.gz XVUZSQQZUCHEOO-OKZBNKHCSA-N 2 1 328.460 1.881 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)COCc1ccccc1Cl)C[NH+]1CCCC1 ZINC000569363017 449013756 /nfs/dbraw/zinc/01/37/56/449013756.db2.gz WHCFZDJXEUFXIE-CVEARBPZSA-N 2 1 342.867 1.264 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)COCc1ccc(Cl)cc1 ZINC000582122492 449018091 /nfs/dbraw/zinc/01/80/91/449018091.db2.gz PZMJIGQLULSWHS-DLBZAZTESA-N 2 1 342.867 1.264 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592956142 449076653 /nfs/dbraw/zinc/07/66/53/449076653.db2.gz DTWALLJNNKCFQN-QXSJWSMHSA-N 2 1 347.507 1.815 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592960422 449085178 /nfs/dbraw/zinc/08/51/78/449085178.db2.gz ZXENJIWQGWQMKC-HUUCEWRRSA-N 2 1 333.480 1.714 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCC(C(=O)OCC)CC2)C1 ZINC000575248910 449069701 /nfs/dbraw/zinc/06/97/01/449069701.db2.gz YCTVCDACJPTJLH-HJOIGYKYSA-N 2 1 326.481 1.792 20 0 EDADMP COc1ccc(CN2CC[C@H]2C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000530241290 449092354 /nfs/dbraw/zinc/09/23/54/449092354.db2.gz PPOFLBZRBJSEEI-ZWKOTPCHSA-N 2 1 333.476 1.316 20 0 EDADMP CN(C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604208244 449192272 /nfs/dbraw/zinc/19/22/72/449192272.db2.gz IGPCKRZWIQMCBD-CRAIPNDOSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000604208244 449192278 /nfs/dbraw/zinc/19/22/78/449192278.db2.gz IGPCKRZWIQMCBD-CRAIPNDOSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000604208244 449192281 /nfs/dbraw/zinc/19/22/81/449192281.db2.gz IGPCKRZWIQMCBD-CRAIPNDOSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604208244 449192286 /nfs/dbraw/zinc/19/22/86/449192286.db2.gz IGPCKRZWIQMCBD-CRAIPNDOSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604208244 449192293 /nfs/dbraw/zinc/19/22/93/449192293.db2.gz IGPCKRZWIQMCBD-CRAIPNDOSA-N 2 1 349.523 1.033 20 0 EDADMP OCC1([NH2+]Cc2ccc(I)cc2)CC[NH2+]CC1 ZINC000595903670 449243654 /nfs/dbraw/zinc/24/36/54/449243654.db2.gz ZOXJMMLYFXWRKE-UHFFFAOYSA-N 2 1 346.212 1.495 20 0 EDADMP CCOC(=O)C[C@@H](C)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601966602 449250395 /nfs/dbraw/zinc/25/03/95/449250395.db2.gz SDOTZRFCBICKQS-APWZRJJASA-N 2 1 334.460 1.802 20 0 EDADMP CCOC(=O)C[C@@H](C)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601966602 449250404 /nfs/dbraw/zinc/25/04/04/449250404.db2.gz SDOTZRFCBICKQS-APWZRJJASA-N 2 1 334.460 1.802 20 0 EDADMP [NH3+]C[C@H]1CCCn2ncc(C(=O)N[C@@H]3CC[N@H+](C4CCCCC4)C3)c21 ZINC000595966564 449288699 /nfs/dbraw/zinc/28/86/99/449288699.db2.gz QIHAHGQWSFAOIP-HUUCEWRRSA-N 2 1 345.491 1.856 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)C(C)(C)CO)CC1 ZINC000605574931 449399935 /nfs/dbraw/zinc/39/99/35/449399935.db2.gz ADQBIFRGTBKGGL-UHFFFAOYSA-N 2 1 347.503 1.732 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)C(C)(C)CO)CC1 ZINC000605574931 449399940 /nfs/dbraw/zinc/39/99/40/449399940.db2.gz ADQBIFRGTBKGGL-UHFFFAOYSA-N 2 1 347.503 1.732 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)(C)CO)CC1 ZINC000605574931 449399945 /nfs/dbraw/zinc/39/99/45/449399945.db2.gz ADQBIFRGTBKGGL-UHFFFAOYSA-N 2 1 347.503 1.732 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)C2 ZINC000600747443 449532370 /nfs/dbraw/zinc/53/23/70/449532370.db2.gz XKSDABRMDWMKPI-HDICACEKSA-N 2 1 330.432 1.656 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)C2 ZINC000600747443 449532376 /nfs/dbraw/zinc/53/23/76/449532376.db2.gz XKSDABRMDWMKPI-HDICACEKSA-N 2 1 330.432 1.656 20 0 EDADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)C2 ZINC000598682538 449541043 /nfs/dbraw/zinc/54/10/43/449541043.db2.gz OKEFYMHUYPCVSK-YJBOKZPZSA-N 2 1 330.432 1.216 20 0 EDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)C2 ZINC000598682538 449541049 /nfs/dbraw/zinc/54/10/49/449541049.db2.gz OKEFYMHUYPCVSK-YJBOKZPZSA-N 2 1 330.432 1.216 20 0 EDADMP CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594612334 449593574 /nfs/dbraw/zinc/59/35/74/449593574.db2.gz LZMVTWIIBDIGPD-YJBOKZPZSA-N 2 1 342.480 1.312 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C2([S@](C)=O)CC[NH2+]CC2)C1 ZINC000602466243 449611935 /nfs/dbraw/zinc/61/19/35/449611935.db2.gz BHMWGEYGBJHYLT-WNSKOXEYSA-N 2 1 343.537 1.115 20 0 EDADMP Cc1ccn2ncc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c2n1 ZINC000617505857 449653871 /nfs/dbraw/zinc/65/38/71/449653871.db2.gz SKRDUYZASQBURF-AWEZNQCLSA-N 2 1 332.452 1.040 20 0 EDADMP Cc1ccn2ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c2n1 ZINC000617505857 449653877 /nfs/dbraw/zinc/65/38/77/449653877.db2.gz SKRDUYZASQBURF-AWEZNQCLSA-N 2 1 332.452 1.040 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2c(N)ncnc2c1 ZINC000617508078 449657924 /nfs/dbraw/zinc/65/79/24/449657924.db2.gz UHKWJCQGKXPXFC-ZDUSSCGKSA-N 2 1 344.463 1.214 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2c(N)ncnc2c1 ZINC000617508078 449657928 /nfs/dbraw/zinc/65/79/28/449657928.db2.gz UHKWJCQGKXPXFC-ZDUSSCGKSA-N 2 1 344.463 1.214 20 0 EDADMP CCOC(=O)[C@@]1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCOC1 ZINC000602745496 449780126 /nfs/dbraw/zinc/78/01/26/449780126.db2.gz PBDBUEVPNCEWBO-FUHWJXTLSA-N 2 1 340.464 1.189 20 0 EDADMP C[C@H]1C[N@H+](CCNC(=O)CC[NH+](C)C2CCCCC2)[C@@H](C)CO1 ZINC000617726534 449784619 /nfs/dbraw/zinc/78/46/19/449784619.db2.gz YEJLZLUWZBGZHG-HOTGVXAUSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@H]1C[N@@H+](CCNC(=O)CC[NH+](C)C2CCCCC2)[C@@H](C)CO1 ZINC000617726534 449784623 /nfs/dbraw/zinc/78/46/23/449784623.db2.gz YEJLZLUWZBGZHG-HOTGVXAUSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@H]1C[NH+](CCNC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](C)CO1 ZINC000617726534 449784624 /nfs/dbraw/zinc/78/46/24/449784624.db2.gz YEJLZLUWZBGZHG-HOTGVXAUSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@H]1C[NH+](CCNC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](C)CO1 ZINC000617726534 449784628 /nfs/dbraw/zinc/78/46/28/449784628.db2.gz YEJLZLUWZBGZHG-HOTGVXAUSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H](CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)[NH+](C)C ZINC000617752518 449816678 /nfs/dbraw/zinc/81/66/78/449816678.db2.gz ORRTYXUOIAVICY-WMZOPIPTSA-N 2 1 332.492 1.432 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+]C[C@@H]3CNc4ccnn4C3)C2)nc(C)[nH+]1 ZINC000595143393 449899024 /nfs/dbraw/zinc/89/90/24/449899024.db2.gz CQEMJHBGQPOAGK-CVEARBPZSA-N 2 1 341.463 1.590 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC([N@H+]3CCOC[C@@H]3C)CC1)CC2 ZINC000615085981 449946050 /nfs/dbraw/zinc/94/60/50/449946050.db2.gz IPEMKJLWOASBOF-HOCLYGCPSA-N 2 1 346.475 1.466 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC([N@@H+]3CCOC[C@@H]3C)CC1)CC2 ZINC000615085981 449946055 /nfs/dbraw/zinc/94/60/55/449946055.db2.gz IPEMKJLWOASBOF-HOCLYGCPSA-N 2 1 346.475 1.466 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000617977250 449960013 /nfs/dbraw/zinc/96/00/13/449960013.db2.gz PIUDSFGGKJRWPI-SFHVURJKSA-N 2 1 346.475 1.131 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000617977250 449960020 /nfs/dbraw/zinc/96/00/20/449960020.db2.gz PIUDSFGGKJRWPI-SFHVURJKSA-N 2 1 346.475 1.131 20 0 EDADMP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CC[NH+](CCc2cccs2)CC1 ZINC000612966956 449961990 /nfs/dbraw/zinc/96/19/90/449961990.db2.gz VWMJHFFPXPNGAP-INIZCTEOSA-N 2 1 348.516 1.760 20 0 EDADMP Cc1ccoc1CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000613004976 449980266 /nfs/dbraw/zinc/98/02/66/449980266.db2.gz JKBJPPQFSPMQEB-SJPCQFCGSA-N 2 1 331.460 1.900 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000618947939 450353971 /nfs/dbraw/zinc/35/39/71/450353971.db2.gz ICPCSAUEXWVAAH-SJORKVTESA-N 2 1 338.496 1.225 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000618947939 450353977 /nfs/dbraw/zinc/35/39/77/450353977.db2.gz ICPCSAUEXWVAAH-SJORKVTESA-N 2 1 338.496 1.225 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000619897894 450364639 /nfs/dbraw/zinc/36/46/39/450364639.db2.gz FLTDOMYVXCOENK-RTBURBONSA-N 2 1 344.503 1.576 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000619897894 450364642 /nfs/dbraw/zinc/36/46/42/450364642.db2.gz FLTDOMYVXCOENK-RTBURBONSA-N 2 1 344.503 1.576 20 0 EDADMP CC(=O)N1CCC[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000620243968 450457424 /nfs/dbraw/zinc/45/74/24/450457424.db2.gz LOZKDZIRGRTURX-HNNXBMFYSA-N 2 1 345.447 1.030 20 0 EDADMP COc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1OC1CC1 ZINC000623402060 450514782 /nfs/dbraw/zinc/51/47/82/450514782.db2.gz ZMUIAMONHQGHRM-UHFFFAOYSA-N 2 1 347.459 1.490 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC1(C)COC1 ZINC000625790458 450507844 /nfs/dbraw/zinc/50/78/44/450507844.db2.gz AJDNONMEAVBFJM-SJLPKXTDSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC1(C)COC1 ZINC000625790458 450507848 /nfs/dbraw/zinc/50/78/48/450507848.db2.gz AJDNONMEAVBFJM-SJLPKXTDSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC1(C)COC1 ZINC000625790458 450507850 /nfs/dbraw/zinc/50/78/50/450507850.db2.gz AJDNONMEAVBFJM-SJLPKXTDSA-N 2 1 345.487 1.734 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1(C)C ZINC000623521688 450536941 /nfs/dbraw/zinc/53/69/41/450536941.db2.gz BQQGQVLBGZRICT-KKUMJFAQSA-N 2 1 331.526 1.557 20 0 EDADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C[NH+]1CCOCC1 ZINC000625943196 450539411 /nfs/dbraw/zinc/53/94/11/450539411.db2.gz MXFALTICFPZFGU-AWEZNQCLSA-N 2 1 348.447 1.258 20 0 EDADMP CC[NH+]1CCN(CCC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000620770529 450541537 /nfs/dbraw/zinc/54/15/37/450541537.db2.gz CCVPAWHFPKSUPO-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000631587290 450667525 /nfs/dbraw/zinc/66/75/25/450667525.db2.gz RCTLMPVPTVRTAD-INIZCTEOSA-N 2 1 333.480 1.249 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2CCn3cc(C)nc3C2)CC[N@H+]1CCOC ZINC000626320135 450685199 /nfs/dbraw/zinc/68/51/99/450685199.db2.gz LTRPPRAPUMKENP-SJORKVTESA-N 2 1 348.491 1.713 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2CCn3cc(C)nc3C2)CCN1CCOC ZINC000626320135 450685205 /nfs/dbraw/zinc/68/52/05/450685205.db2.gz LTRPPRAPUMKENP-SJORKVTESA-N 2 1 348.491 1.713 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624059851 450689604 /nfs/dbraw/zinc/68/96/04/450689604.db2.gz HDBBPYUMKSVDEZ-SFHVURJKSA-N 2 1 327.432 1.721 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000629577120 450745400 /nfs/dbraw/zinc/74/54/00/450745400.db2.gz PYETTWLAVCSUGC-PMACEKPBSA-N 2 1 331.504 1.943 20 0 EDADMP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)CCOCC[NH3+] ZINC000629578461 450745475 /nfs/dbraw/zinc/74/54/75/450745475.db2.gz CMPGMURHQWBDKT-LBPRGKRZSA-N 2 1 345.846 1.733 20 0 EDADMP O=C(Cc1ccc(-n2ccnc2)cc1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000633256917 450760281 /nfs/dbraw/zinc/76/02/81/450760281.db2.gz QKGZXRRPXHQKGB-KRWDZBQOSA-N 2 1 342.443 1.378 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000635217733 450760885 /nfs/dbraw/zinc/76/08/85/450760885.db2.gz SWVUCKHJZFGOPZ-AEFFLSMTSA-N 2 1 331.460 1.518 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NCCN2CCN(c3ccccc3)CC2)C1 ZINC000635253756 450785260 /nfs/dbraw/zinc/78/52/60/450785260.db2.gz MKASJMRCEUFJNQ-KRWDZBQOSA-N 2 1 330.476 1.267 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000635253756 450785268 /nfs/dbraw/zinc/78/52/68/450785268.db2.gz MKASJMRCEUFJNQ-KRWDZBQOSA-N 2 1 330.476 1.267 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000635253756 450785275 /nfs/dbraw/zinc/78/52/75/450785275.db2.gz MKASJMRCEUFJNQ-KRWDZBQOSA-N 2 1 330.476 1.267 20 0 EDADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[C@@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC000621688830 450833814 /nfs/dbraw/zinc/83/38/14/450833814.db2.gz ZWOZHXLVDQYVJX-GGPKGHCWSA-N 2 1 343.471 1.617 20 0 EDADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC000621688830 450833820 /nfs/dbraw/zinc/83/38/20/450833820.db2.gz ZWOZHXLVDQYVJX-GGPKGHCWSA-N 2 1 343.471 1.617 20 0 EDADMP CCn1cc(CC[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000621775214 450862528 /nfs/dbraw/zinc/86/25/28/450862528.db2.gz ITEOKNHRIUZNPH-RDJZCZTQSA-N 2 1 333.480 1.026 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C[C@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@H]21 ZINC000627651209 450867864 /nfs/dbraw/zinc/86/78/64/450867864.db2.gz JFCPWOQVIKHTDX-PNYFIKQUSA-N 2 1 343.471 1.296 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@H]21 ZINC000627651209 450867868 /nfs/dbraw/zinc/86/78/68/450867868.db2.gz JFCPWOQVIKHTDX-PNYFIKQUSA-N 2 1 343.471 1.296 20 0 EDADMP CN1CC[NH+](CC2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC000629979633 450932135 /nfs/dbraw/zinc/93/21/35/450932135.db2.gz HVAYDMMJXWBGOE-UHFFFAOYSA-N 2 1 336.524 1.347 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)S(=O)(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC000632018455 450971419 /nfs/dbraw/zinc/97/14/19/450971419.db2.gz CERXYBXESWWYNY-HOTGVXAUSA-N 2 1 331.526 1.607 20 0 EDADMP C[C@@](O)(C[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000630045203 450978237 /nfs/dbraw/zinc/97/82/37/450978237.db2.gz ZLLUSEJVUQPWKL-KOUHRCEDSA-N 2 1 344.499 1.962 20 0 EDADMP C[C@@](O)(C[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000630045203 450978243 /nfs/dbraw/zinc/97/82/43/450978243.db2.gz ZLLUSEJVUQPWKL-KOUHRCEDSA-N 2 1 344.499 1.962 20 0 EDADMP C[C@@](O)(C[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000630045203 450978250 /nfs/dbraw/zinc/97/82/50/450978250.db2.gz ZLLUSEJVUQPWKL-KOUHRCEDSA-N 2 1 344.499 1.962 20 0 EDADMP C[C@@](O)(C[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000630045203 450978255 /nfs/dbraw/zinc/97/82/55/450978255.db2.gz ZLLUSEJVUQPWKL-KOUHRCEDSA-N 2 1 344.499 1.962 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC000635542722 451039072 /nfs/dbraw/zinc/03/90/72/451039072.db2.gz QNVXTLQGILBWAD-HOTGVXAUSA-N 2 1 331.464 1.520 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC000635542722 451039076 /nfs/dbraw/zinc/03/90/76/451039076.db2.gz QNVXTLQGILBWAD-HOTGVXAUSA-N 2 1 331.464 1.520 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](C)C1 ZINC000635571774 451070475 /nfs/dbraw/zinc/07/04/75/451070475.db2.gz CMUOVZWMKCSDAJ-ULQDDVLXSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](C)C1 ZINC000635571774 451070479 /nfs/dbraw/zinc/07/04/79/451070479.db2.gz CMUOVZWMKCSDAJ-ULQDDVLXSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](C)C1 ZINC000635571774 451070487 /nfs/dbraw/zinc/07/04/87/451070487.db2.gz CMUOVZWMKCSDAJ-ULQDDVLXSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000627013750 451078086 /nfs/dbraw/zinc/07/80/86/451078086.db2.gz RDHYPNJDENAGBX-AEFFLSMTSA-N 2 1 348.491 1.384 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn1 ZINC000632160068 451080713 /nfs/dbraw/zinc/08/07/13/451080713.db2.gz SYZWSLYRWXIMIQ-ROUUACIJSA-N 2 1 341.459 1.620 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635604051 451097410 /nfs/dbraw/zinc/09/74/10/451097410.db2.gz UJDXHKKFZNFKRS-ZWKOTPCHSA-N 2 1 344.503 1.655 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C[NH2+]1 ZINC000627201317 451183931 /nfs/dbraw/zinc/18/39/31/451183931.db2.gz GARCYUXNYVQADO-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H]1CC[C@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[NH2+]1 ZINC000627204632 451186081 /nfs/dbraw/zinc/18/60/81/451186081.db2.gz XWHKIDQYSVVISI-KANFNMMFSA-N 2 1 342.487 1.900 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627212344 451189931 /nfs/dbraw/zinc/18/99/31/451189931.db2.gz MEWOVVPTBDJXLN-SJORKVTESA-N 2 1 340.512 1.648 20 0 EDADMP [NH3+]Cc1ncc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000638086739 451252179 /nfs/dbraw/zinc/25/21/79/451252179.db2.gz VPEURXCOVMAZLA-MRXNPFEDSA-N 2 1 339.443 1.230 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000638086530 451252300 /nfs/dbraw/zinc/25/23/00/451252300.db2.gz TUYDBIMZURIPEA-DWRORGKVSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+](CCNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000638098610 451263548 /nfs/dbraw/zinc/26/35/48/451263548.db2.gz BVAJTTDPZASPDY-SFHVURJKSA-N 2 1 332.492 1.436 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000638098610 451263555 /nfs/dbraw/zinc/26/35/55/451263555.db2.gz BVAJTTDPZASPDY-SFHVURJKSA-N 2 1 332.492 1.436 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000638098610 451263563 /nfs/dbraw/zinc/26/35/63/451263563.db2.gz BVAJTTDPZASPDY-SFHVURJKSA-N 2 1 332.492 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000638098610 451263569 /nfs/dbraw/zinc/26/35/69/451263569.db2.gz BVAJTTDPZASPDY-SFHVURJKSA-N 2 1 332.492 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000638098610 451263573 /nfs/dbraw/zinc/26/35/73/451263573.db2.gz BVAJTTDPZASPDY-SFHVURJKSA-N 2 1 332.492 1.436 20 0 EDADMP COCC[NH2+]CCc1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000630591434 451267988 /nfs/dbraw/zinc/26/79/88/451267988.db2.gz FEOJLOOGSRNJNN-SFHVURJKSA-N 2 1 329.448 1.504 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000638124301 451293707 /nfs/dbraw/zinc/29/37/07/451293707.db2.gz RXRYMPVHCZFNQH-BPQIPLTHSA-N 2 1 332.492 1.387 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000638124301 451293713 /nfs/dbraw/zinc/29/37/13/451293713.db2.gz RXRYMPVHCZFNQH-BPQIPLTHSA-N 2 1 332.492 1.387 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000638124301 451293719 /nfs/dbraw/zinc/29/37/19/451293719.db2.gz RXRYMPVHCZFNQH-BPQIPLTHSA-N 2 1 332.492 1.387 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638127322 451298579 /nfs/dbraw/zinc/29/85/79/451298579.db2.gz CETNUONWIVZFQR-RTBURBONSA-N 2 1 346.519 1.636 20 0 EDADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638127322 451298586 /nfs/dbraw/zinc/29/85/86/451298586.db2.gz CETNUONWIVZFQR-RTBURBONSA-N 2 1 346.519 1.636 20 0 EDADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638127322 451298595 /nfs/dbraw/zinc/29/85/95/451298595.db2.gz CETNUONWIVZFQR-RTBURBONSA-N 2 1 346.519 1.636 20 0 EDADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638127322 451298601 /nfs/dbraw/zinc/29/86/01/451298601.db2.gz CETNUONWIVZFQR-RTBURBONSA-N 2 1 346.519 1.636 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638127322 451298606 /nfs/dbraw/zinc/29/86/06/451298606.db2.gz CETNUONWIVZFQR-RTBURBONSA-N 2 1 346.519 1.636 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc3c(cn2)OCCO3)C1 ZINC000638135371 451308206 /nfs/dbraw/zinc/30/82/06/451308206.db2.gz UDIYMOSSUSWZLA-INIZCTEOSA-N 2 1 335.448 1.786 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3c(cn2)OCCO3)C1 ZINC000638135371 451308212 /nfs/dbraw/zinc/30/82/12/451308212.db2.gz UDIYMOSSUSWZLA-INIZCTEOSA-N 2 1 335.448 1.786 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CN2CC[NH2+]CC2)cc1 ZINC000638135728 451308378 /nfs/dbraw/zinc/30/83/78/451308378.db2.gz UHCNQXMSGYMHCH-CQSZACIVSA-N 2 1 327.432 1.263 20 0 EDADMP [NH3+][C@@H]1CC=C(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000638137337 451311455 /nfs/dbraw/zinc/31/14/55/451311455.db2.gz ISYPEPHQFXESIW-LJQANCHMSA-N 2 1 342.487 1.358 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000638139786 451314752 /nfs/dbraw/zinc/31/47/52/451314752.db2.gz HCIGHDKAZSKMDJ-SFHVURJKSA-N 2 1 347.507 1.473 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC000634456672 451347575 /nfs/dbraw/zinc/34/75/75/451347575.db2.gz IQUCJRCFBBOSNQ-ROUUACIJSA-N 2 1 331.460 1.406 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC000634456672 451347581 /nfs/dbraw/zinc/34/75/81/451347581.db2.gz IQUCJRCFBBOSNQ-ROUUACIJSA-N 2 1 331.460 1.406 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000634456672 451347586 /nfs/dbraw/zinc/34/75/86/451347586.db2.gz IQUCJRCFBBOSNQ-ROUUACIJSA-N 2 1 331.460 1.406 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC000634456672 451347592 /nfs/dbraw/zinc/34/75/92/451347592.db2.gz IQUCJRCFBBOSNQ-ROUUACIJSA-N 2 1 331.460 1.406 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638286291 451402676 /nfs/dbraw/zinc/40/26/76/451402676.db2.gz PFYLACNMZVBYET-OAHLLOKOSA-N 2 1 339.443 1.672 20 0 EDADMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccncc1 ZINC000630809563 451414598 /nfs/dbraw/zinc/41/45/98/451414598.db2.gz DKMHNUJDWHZDHO-AWEZNQCLSA-N 2 1 325.416 1.971 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000638299677 451414669 /nfs/dbraw/zinc/41/46/69/451414669.db2.gz PDYUWLQNQKYANV-GGPKGHCWSA-N 2 1 345.487 1.876 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000638299677 451414674 /nfs/dbraw/zinc/41/46/74/451414674.db2.gz PDYUWLQNQKYANV-GGPKGHCWSA-N 2 1 345.487 1.876 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000638323130 451431640 /nfs/dbraw/zinc/43/16/40/451431640.db2.gz GBUIMMIMHCHUPR-IBGZPJMESA-N 2 1 344.503 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000638323130 451431647 /nfs/dbraw/zinc/43/16/47/451431647.db2.gz GBUIMMIMHCHUPR-IBGZPJMESA-N 2 1 344.503 1.436 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc(N)nc2N)cc1 ZINC000638364161 451461436 /nfs/dbraw/zinc/46/14/36/451461436.db2.gz WCMXTWRCVRSKLU-CQSZACIVSA-N 2 1 340.475 1.966 20 0 EDADMP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638405700 451494536 /nfs/dbraw/zinc/49/45/36/451494536.db2.gz GESPNJDZBWLBPQ-CABCVRRESA-N 2 1 331.460 1.100 20 0 EDADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638405700 451494542 /nfs/dbraw/zinc/49/45/42/451494542.db2.gz GESPNJDZBWLBPQ-CABCVRRESA-N 2 1 331.460 1.100 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000638375103 451472596 /nfs/dbraw/zinc/47/25/96/451472596.db2.gz DNUIWSYWBMMDLZ-DLBZAZTESA-N 2 1 330.476 1.237 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000638375103 451472602 /nfs/dbraw/zinc/47/26/02/451472602.db2.gz DNUIWSYWBMMDLZ-DLBZAZTESA-N 2 1 330.476 1.237 20 0 EDADMP CN(C)c1cc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc[nH+]1 ZINC000640597261 451442740 /nfs/dbraw/zinc/44/27/40/451442740.db2.gz AGTUMMUWVGNSAT-OAHLLOKOSA-N 2 1 335.452 1.722 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCNC(=O)C3)c2)CCO1 ZINC000638419056 451504289 /nfs/dbraw/zinc/50/42/89/451504289.db2.gz FFGKFQXTIGXQLE-MAUKXSAKSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCNC(=O)C3)c2)CCO1 ZINC000638419056 451504295 /nfs/dbraw/zinc/50/42/95/451504295.db2.gz FFGKFQXTIGXQLE-MAUKXSAKSA-N 2 1 331.460 1.666 20 0 EDADMP O[C@@H](C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C[NH+]1CCCC1 ZINC000634723552 451504947 /nfs/dbraw/zinc/50/49/47/451504947.db2.gz XCGMRSUFPXBCCH-XKQJLSEDSA-N 2 1 326.387 1.841 20 0 EDADMP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000638428754 451509818 /nfs/dbraw/zinc/50/98/18/451509818.db2.gz BCFUGUYDIPSRJB-RTBURBONSA-N 2 1 346.519 1.682 20 0 EDADMP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000638428754 451509821 /nfs/dbraw/zinc/50/98/21/451509821.db2.gz BCFUGUYDIPSRJB-RTBURBONSA-N 2 1 346.519 1.682 20 0 EDADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000638450553 451522070 /nfs/dbraw/zinc/52/20/70/451522070.db2.gz GLFNYCXVUKHLGZ-AWEZNQCLSA-N 2 1 331.526 1.558 20 0 EDADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000638481145 451535561 /nfs/dbraw/zinc/53/55/61/451535561.db2.gz HQUODKDSXDMWPI-RTBURBONSA-N 2 1 346.519 1.634 20 0 EDADMP c1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(C[NH+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000634780134 451542403 /nfs/dbraw/zinc/54/24/03/451542403.db2.gz UGBYUCGGUCTLRW-FGYAAKKASA-N 2 1 328.456 1.843 20 0 EDADMP CCN(CC[NH3+])C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638515235 451553655 /nfs/dbraw/zinc/55/36/55/451553655.db2.gz BWIUHNAUWKDZQH-IEBWSBKVSA-N 2 1 331.460 1.332 20 0 EDADMP CO[C@]1(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCOC1 ZINC000638524555 451556778 /nfs/dbraw/zinc/55/67/78/451556778.db2.gz QRZUHPOTBYZJAK-SFHVURJKSA-N 2 1 337.464 1.899 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(C(F)F)nc2)C1 ZINC000631064558 451564004 /nfs/dbraw/zinc/56/40/04/451564004.db2.gz PKNJTEYGUVQKPW-ZDUSSCGKSA-N 2 1 326.391 1.696 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(C(F)F)nc2)C1 ZINC000631064558 451564010 /nfs/dbraw/zinc/56/40/10/451564010.db2.gz PKNJTEYGUVQKPW-ZDUSSCGKSA-N 2 1 326.391 1.696 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000638536457 451564943 /nfs/dbraw/zinc/56/49/43/451564943.db2.gz NCLIJTMXRKVXGH-ZWNOBZJWSA-N 2 1 326.238 1.659 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000638536457 451564949 /nfs/dbraw/zinc/56/49/49/451564949.db2.gz NCLIJTMXRKVXGH-ZWNOBZJWSA-N 2 1 326.238 1.659 20 0 EDADMP C[NH2+]CCOCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000638577680 451585739 /nfs/dbraw/zinc/58/57/39/451585739.db2.gz CSOJJXSUHGRYLI-MRXNPFEDSA-N 2 1 337.439 1.390 20 0 EDADMP C[NH2+]CCOCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000638577308 451586237 /nfs/dbraw/zinc/58/62/37/451586237.db2.gz OWDJSUAPSDJVDI-INIZCTEOSA-N 2 1 348.491 1.845 20 0 EDADMP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc(C4CC4)nc4[nH]ccc43)C2)CC1 ZINC000631118274 451593735 /nfs/dbraw/zinc/59/37/35/451593735.db2.gz XFWCVKYFAIPQQB-CQSZACIVSA-N 2 1 340.475 2.416 20 0 EDADMP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc(C4CC4)nc4[nH]ccc43)C2)CC1 ZINC000631118274 451593742 /nfs/dbraw/zinc/59/37/42/451593742.db2.gz XFWCVKYFAIPQQB-CQSZACIVSA-N 2 1 340.475 2.416 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)CCO1 ZINC000636233784 451608355 /nfs/dbraw/zinc/60/83/55/451608355.db2.gz ZTGWWYNMQRWMRJ-IBGZPJMESA-N 2 1 347.503 1.730 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(CC(=O)Nc3cccc(F)c3)nn2)CC1 ZINC000640785926 451579069 /nfs/dbraw/zinc/57/90/69/451579069.db2.gz UUAOSBBTUDCZSG-UHFFFAOYSA-N 2 1 346.410 1.022 20 0 EDADMP O=c1c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cccn1C(F)F ZINC000638669998 451641551 /nfs/dbraw/zinc/64/15/51/451641551.db2.gz YXGSMIKQWNXVJG-ZDUSSCGKSA-N 2 1 341.402 1.834 20 0 EDADMP CN(CCOCC[NH3+])C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000638674864 451646017 /nfs/dbraw/zinc/64/60/17/451646017.db2.gz OPOZGWJPBDXZLJ-MRXNPFEDSA-N 2 1 348.491 1.927 20 0 EDADMP Cc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)c(-c2ccnn2C)c1 ZINC000635002250 451646685 /nfs/dbraw/zinc/64/66/85/451646685.db2.gz MIVFXCDDQAGGKZ-UHFFFAOYSA-N 2 1 328.460 1.942 20 0 EDADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1CCOC1 ZINC000638686843 451653118 /nfs/dbraw/zinc/65/31/18/451653118.db2.gz OKLZDVUGTMASSN-MTQWCTHYSA-N 2 1 348.487 1.511 20 0 EDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1CCOC1 ZINC000638686843 451653125 /nfs/dbraw/zinc/65/31/25/451653125.db2.gz OKLZDVUGTMASSN-MTQWCTHYSA-N 2 1 348.487 1.511 20 0 EDADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1CCOC1 ZINC000638686845 451653577 /nfs/dbraw/zinc/65/35/77/451653577.db2.gz OKLZDVUGTMASSN-UAFMIMERSA-N 2 1 348.487 1.511 20 0 EDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1CCOC1 ZINC000638686845 451653580 /nfs/dbraw/zinc/65/35/80/451653580.db2.gz OKLZDVUGTMASSN-UAFMIMERSA-N 2 1 348.487 1.511 20 0 EDADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1CCOC1 ZINC000638686848 451653758 /nfs/dbraw/zinc/65/37/58/451653758.db2.gz OKLZDVUGTMASSN-VNTMZGSJSA-N 2 1 348.487 1.511 20 0 EDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1CCOC1 ZINC000638686848 451653763 /nfs/dbraw/zinc/65/37/63/451653763.db2.gz OKLZDVUGTMASSN-VNTMZGSJSA-N 2 1 348.487 1.511 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCC1(F)F ZINC000638803821 451695872 /nfs/dbraw/zinc/69/58/72/451695872.db2.gz PJRAHJFQXIPNOJ-JKSUJKDBSA-N 2 1 337.414 1.870 20 0 EDADMP [NH3+]C1CCC(OCC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000638805171 451696618 /nfs/dbraw/zinc/69/66/18/451696618.db2.gz YPEXZHAYGQMXNB-LMDPOFIKSA-N 2 1 345.487 1.911 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638850812 451709988 /nfs/dbraw/zinc/70/99/88/451709988.db2.gz JOXBYENLZWZMSG-NFBUACBFSA-N 2 1 343.471 1.107 20 0 EDADMP CN(C)c1ccccc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641063204 451743902 /nfs/dbraw/zinc/74/39/02/451743902.db2.gz WOQLXVLPCIBLLG-UHFFFAOYSA-N 2 1 328.464 1.358 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@H](N)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000639018800 451752869 /nfs/dbraw/zinc/75/28/69/451752869.db2.gz WHTUWYNNBGLOEA-QZTJIDSGSA-N 2 1 332.492 1.244 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000639018800 451752870 /nfs/dbraw/zinc/75/28/70/451752870.db2.gz WHTUWYNNBGLOEA-QZTJIDSGSA-N 2 1 332.492 1.244 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000639018800 451752872 /nfs/dbraw/zinc/75/28/72/451752872.db2.gz WHTUWYNNBGLOEA-QZTJIDSGSA-N 2 1 332.492 1.244 20 0 EDADMP CO[C@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000639169518 451783674 /nfs/dbraw/zinc/78/36/74/451783674.db2.gz DXUUBMVTYMLMSO-GOSISDBHSA-N 2 1 327.513 1.386 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc2c(cn1)OCCO2 ZINC000639171124 451784276 /nfs/dbraw/zinc/78/42/76/451784276.db2.gz RENFBCZCIXDYNT-QGZVFWFLSA-N 2 1 348.491 1.701 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000639176758 451786052 /nfs/dbraw/zinc/78/60/52/451786052.db2.gz JYTXIOROBUIJRE-CYBMUJFWSA-N 2 1 343.518 1.559 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000639176758 451786053 /nfs/dbraw/zinc/78/60/53/451786053.db2.gz JYTXIOROBUIJRE-CYBMUJFWSA-N 2 1 343.518 1.559 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)Cn1ccnn1 ZINC000639257943 451799765 /nfs/dbraw/zinc/79/97/65/451799765.db2.gz URXUBKYLPKMCCW-BHIYHBOVSA-N 2 1 341.459 1.597 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)Cn1ccnn1 ZINC000639257943 451799768 /nfs/dbraw/zinc/79/97/68/451799768.db2.gz URXUBKYLPKMCCW-BHIYHBOVSA-N 2 1 341.459 1.597 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NCC[C@H](C)[NH+](C)C)cc1 ZINC000637385387 451815983 /nfs/dbraw/zinc/81/59/83/451815983.db2.gz AOWTWDJJLKIXRZ-RDJZCZTQSA-N 2 1 348.491 1.909 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)NCC[C@H](C)[NH+](C)C)cc1 ZINC000637385387 451815986 /nfs/dbraw/zinc/81/59/86/451815986.db2.gz AOWTWDJJLKIXRZ-RDJZCZTQSA-N 2 1 348.491 1.909 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(N)nc1N ZINC000639358797 451844878 /nfs/dbraw/zinc/84/48/78/451844878.db2.gz DJTJKGQYYGZARX-CZUORRHYSA-N 2 1 326.448 1.159 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(N)nc1N ZINC000639358797 451844883 /nfs/dbraw/zinc/84/48/83/451844883.db2.gz DJTJKGQYYGZARX-CZUORRHYSA-N 2 1 326.448 1.159 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)C[C@H](C)[N@@H+]1CCO ZINC000637471525 451889484 /nfs/dbraw/zinc/88/94/84/451889484.db2.gz VEJJJJDKYPUIMG-HLLBOEOZSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C[C@H](C)[NH+]1CCO ZINC000637471525 451889489 /nfs/dbraw/zinc/88/94/89/451889489.db2.gz VEJJJJDKYPUIMG-HLLBOEOZSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C[C@H](C)[NH+]1CCO ZINC000637471525 451889494 /nfs/dbraw/zinc/88/94/94/451889494.db2.gz VEJJJJDKYPUIMG-HLLBOEOZSA-N 2 1 338.496 1.100 20 0 EDADMP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000649283226 451956463 /nfs/dbraw/zinc/95/64/63/451956463.db2.gz YXRCJRBVYPJXTH-MRXNPFEDSA-N 2 1 337.414 1.618 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cnn1C ZINC000649293509 451968643 /nfs/dbraw/zinc/96/86/43/451968643.db2.gz WPVRIULIUKJSPC-DTDBQYNISA-N 2 1 347.507 1.268 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000649295426 451970366 /nfs/dbraw/zinc/97/03/66/451970366.db2.gz ISQNSFLGTZPQRQ-LSDHHAIUSA-N 2 1 334.468 1.054 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CCC(C)(C)[NH3+])cc2)CC1 ZINC000649304216 451979176 /nfs/dbraw/zinc/97/91/76/451979176.db2.gz PXNUMFBQTHNMCJ-UHFFFAOYSA-N 2 1 346.475 1.459 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)C1 ZINC000649315881 451995173 /nfs/dbraw/zinc/99/51/73/451995173.db2.gz YVMLYRJUAVJZKC-ABFRBSLYSA-N 2 1 342.443 1.073 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH2+]CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000649329701 452009909 /nfs/dbraw/zinc/00/99/09/452009909.db2.gz CPPXAGCQLRLCQH-BHIYHBOVSA-N 2 1 345.487 1.734 20 0 EDADMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000649328899 452010129 /nfs/dbraw/zinc/01/01/29/452010129.db2.gz QKWOIGAEHLIGDV-PXCRPINLSA-N 2 1 339.483 1.967 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000649329686 452010671 /nfs/dbraw/zinc/01/06/71/452010671.db2.gz BRUDYMXBLSBOLW-IKLKHMQRSA-N 2 1 327.472 1.963 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000649332840 452014229 /nfs/dbraw/zinc/01/42/29/452014229.db2.gz LLELKKCTCCAKDA-ZFWWWQNUSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649336686 452017367 /nfs/dbraw/zinc/01/73/67/452017367.db2.gz MPMZBYXFTGJDOJ-NJAFHUGGSA-N 2 1 331.460 1.249 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000643042087 452025199 /nfs/dbraw/zinc/02/51/99/452025199.db2.gz VBHRSKBDIICXQK-OVWQWFNUSA-N 2 1 345.491 2.138 20 0 EDADMP C[C@H]1CCN(C(=O)[C@@]2(N)CC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000649344860 452025654 /nfs/dbraw/zinc/02/56/54/452025654.db2.gz VELVAPKQWDZLIA-QFBILLFUSA-N 2 1 330.476 1.142 20 0 EDADMP C[C@H]1CCN(C(=O)[C@@]2(N)CC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000649344860 452025658 /nfs/dbraw/zinc/02/56/58/452025658.db2.gz VELVAPKQWDZLIA-QFBILLFUSA-N 2 1 330.476 1.142 20 0 EDADMP C[C@H]1CCN(C(=O)[C@@]2(N)CC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000649344860 452025662 /nfs/dbraw/zinc/02/56/62/452025662.db2.gz VELVAPKQWDZLIA-QFBILLFUSA-N 2 1 330.476 1.142 20 0 EDADMP COC[C@]1(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000649344888 452027215 /nfs/dbraw/zinc/02/72/15/452027215.db2.gz WKMRVSMCGAVTPL-XLIONFOSSA-N 2 1 345.487 1.878 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000649349714 452031808 /nfs/dbraw/zinc/03/18/08/452031808.db2.gz SUFCOORCTDKJHW-QGZVFWFLSA-N 2 1 326.400 1.439 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649350601 452033347 /nfs/dbraw/zinc/03/33/47/452033347.db2.gz ROGKALRAHQEMGH-UHFFFAOYSA-N 2 1 346.519 1.958 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)o1 ZINC000649360874 452042003 /nfs/dbraw/zinc/04/20/03/452042003.db2.gz WNKUNRAEKCHXRJ-HNNXBMFYSA-N 2 1 345.447 1.642 20 0 EDADMP O=C(C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000639704343 452043477 /nfs/dbraw/zinc/04/34/77/452043477.db2.gz RJHADWJLAXLZHQ-GOSISDBHSA-N 2 1 344.459 1.231 20 0 EDADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000649377022 452050845 /nfs/dbraw/zinc/05/08/45/452050845.db2.gz KECJOIORFPFJPQ-KRWDZBQOSA-N 2 1 332.448 1.135 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC[N@H+]1CCOC ZINC000649379305 452052593 /nfs/dbraw/zinc/05/25/93/452052593.db2.gz ZPIYGLCSKXXALE-KBPBESRZSA-N 2 1 333.423 1.191 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000637803079 452090362 /nfs/dbraw/zinc/09/03/62/452090362.db2.gz XPCZUCIVYCIARX-GBESFXJTSA-N 2 1 327.472 1.965 20 0 EDADMP CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637808898 452093594 /nfs/dbraw/zinc/09/35/94/452093594.db2.gz HUOHLAORQIQNOT-QUCCMNQESA-N 2 1 345.487 1.641 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)c1 ZINC000637808859 452094243 /nfs/dbraw/zinc/09/42/43/452094243.db2.gz HCSWXVVKJQTTQS-SFHVURJKSA-N 2 1 326.444 1.804 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)C1=O ZINC000649481553 452103700 /nfs/dbraw/zinc/10/37/00/452103700.db2.gz LPDHCTHJZDVUNA-LPHOPBHVSA-N 2 1 347.434 1.478 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@](C)(c3cccc(F)c3)C2)C1=O ZINC000649481553 452103701 /nfs/dbraw/zinc/10/37/01/452103701.db2.gz LPDHCTHJZDVUNA-LPHOPBHVSA-N 2 1 347.434 1.478 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000653777593 452111267 /nfs/dbraw/zinc/11/12/67/452111267.db2.gz QAFSCBNKRAWEPC-QGZVFWFLSA-N 2 1 326.444 1.991 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000653777593 452111272 /nfs/dbraw/zinc/11/12/72/452111272.db2.gz QAFSCBNKRAWEPC-QGZVFWFLSA-N 2 1 326.444 1.991 20 0 EDADMP [NH3+]C[C@@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000637854063 452116527 /nfs/dbraw/zinc/11/65/27/452116527.db2.gz CSGCPYCRPJNESG-QGZVFWFLSA-N 3 1 330.476 1.224 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)cn2cc[nH+]c12 ZINC000651899611 452153357 /nfs/dbraw/zinc/15/33/57/452153357.db2.gz IKTRCJWHZVQOTR-UHFFFAOYSA-N 2 1 345.447 1.675 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)cn2cc[nH+]c12 ZINC000651899611 452153362 /nfs/dbraw/zinc/15/33/62/452153362.db2.gz IKTRCJWHZVQOTR-UHFFFAOYSA-N 2 1 345.447 1.675 20 0 EDADMP Cn1nccc1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637909616 452158685 /nfs/dbraw/zinc/15/86/85/452158685.db2.gz SMOQIBBCAVLMBG-UHFFFAOYSA-N 2 1 327.432 1.742 20 0 EDADMP Cc1[nH]c2nc[nH+]c(N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)c2c1C ZINC000645197525 452206865 /nfs/dbraw/zinc/20/68/65/452206865.db2.gz MMBOZZVRAWCZND-CQSZACIVSA-N 2 1 342.447 1.493 20 0 EDADMP Cc1[nH]c2nc[nH+]c(N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)c2c1C ZINC000645197525 452206869 /nfs/dbraw/zinc/20/68/69/452206869.db2.gz MMBOZZVRAWCZND-CQSZACIVSA-N 2 1 342.447 1.493 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000647486372 452230302 /nfs/dbraw/zinc/23/03/02/452230302.db2.gz IZDKQLYCNCOIAQ-DLBZAZTESA-N 2 1 343.471 1.697 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647497877 452239557 /nfs/dbraw/zinc/23/95/57/452239557.db2.gz YXOLDNZEFWDLME-JKSUJKDBSA-N 2 1 349.475 1.769 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647497877 452239561 /nfs/dbraw/zinc/23/95/61/452239561.db2.gz YXOLDNZEFWDLME-JKSUJKDBSA-N 2 1 349.475 1.769 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647497875 452239745 /nfs/dbraw/zinc/23/97/45/452239745.db2.gz YXOLDNZEFWDLME-HOTGVXAUSA-N 2 1 349.475 1.769 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647497875 452239752 /nfs/dbraw/zinc/23/97/52/452239752.db2.gz YXOLDNZEFWDLME-HOTGVXAUSA-N 2 1 349.475 1.769 20 0 EDADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000647517870 452251371 /nfs/dbraw/zinc/25/13/71/452251371.db2.gz PLABRXPSBIAUFL-SFHVURJKSA-N 2 1 336.476 1.480 20 0 EDADMP CCN(C(=O)NCC(C)(C)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663557988 452268533 /nfs/dbraw/zinc/26/85/33/452268533.db2.gz FLAJFJFEZZOSSM-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP CCN(C(=O)NCC(C)(C)[NH+]1CCN(C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663557988 452268566 /nfs/dbraw/zinc/26/85/66/452268566.db2.gz FLAJFJFEZZOSSM-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP CCN(C(=O)NCC(C)(C)[NH+]1CCN(C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663557988 452268575 /nfs/dbraw/zinc/26/85/75/452268575.db2.gz FLAJFJFEZZOSSM-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP CC(C)OCc1ccc(CNC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641802722 452277731 /nfs/dbraw/zinc/27/77/31/452277731.db2.gz BBBGCJMZDRPMPB-IRXDYDNUSA-N 2 1 333.476 1.943 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000641804177 452280516 /nfs/dbraw/zinc/28/05/16/452280516.db2.gz JBFGZJBSHOYEHI-QZTJIDSGSA-N 2 1 345.487 1.910 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCc1ccccc1Cn1cccn1 ZINC000641804363 452280698 /nfs/dbraw/zinc/28/06/98/452280698.db2.gz YXUVLDGRLZVEFT-IRXDYDNUSA-N 2 1 341.459 1.263 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NCC12CC(C1)C[NH2+]2 ZINC000659434348 452281784 /nfs/dbraw/zinc/28/17/84/452281784.db2.gz LSLJSSJSFCVRMG-UHFFFAOYSA-N 2 1 328.460 1.486 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659446956 452296320 /nfs/dbraw/zinc/29/63/20/452296320.db2.gz LBWHVQNFSKLUKQ-IAGOWNOFSA-N 2 1 345.422 1.776 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000661508020 452314068 /nfs/dbraw/zinc/31/40/68/452314068.db2.gz MAOBCFYJKAPJJB-HUUCEWRRSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661508020 452314075 /nfs/dbraw/zinc/31/40/75/452314075.db2.gz MAOBCFYJKAPJJB-HUUCEWRRSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661508020 452314083 /nfs/dbraw/zinc/31/40/83/452314083.db2.gz MAOBCFYJKAPJJB-HUUCEWRRSA-N 2 1 340.512 1.346 20 0 EDADMP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665757335 452324093 /nfs/dbraw/zinc/32/40/93/452324093.db2.gz FZDFSMLAMHYQAT-IRXDYDNUSA-N 3 1 341.544 1.430 20 0 EDADMP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665757335 452324103 /nfs/dbraw/zinc/32/41/03/452324103.db2.gz FZDFSMLAMHYQAT-IRXDYDNUSA-N 3 1 341.544 1.430 20 0 EDADMP CC[C@H](NC(=O)N[C@H](C)C[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659469164 452325302 /nfs/dbraw/zinc/32/53/02/452325302.db2.gz HOXRGXJGNHHKBK-NJAFHUGGSA-N 2 1 348.491 1.573 20 0 EDADMP CC[C@H](NC(=O)N[C@H](C)C[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659469164 452325310 /nfs/dbraw/zinc/32/53/10/452325310.db2.gz HOXRGXJGNHHKBK-NJAFHUGGSA-N 2 1 348.491 1.573 20 0 EDADMP CC[C@@H](COCC1CC1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000657561542 452334650 /nfs/dbraw/zinc/33/46/50/452334650.db2.gz IXFFVIRVSGAMNP-KRWDZBQOSA-N 2 1 333.480 1.523 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652145036 452337758 /nfs/dbraw/zinc/33/77/58/452337758.db2.gz ASEPSXTUAFBVLB-QAETUUGQSA-N 2 1 340.512 1.645 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000638057893 452345208 /nfs/dbraw/zinc/34/52/08/452345208.db2.gz DAURREITVGOSKX-LJQANCHMSA-N 2 1 344.503 1.533 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C[C@@H](CC)O1 ZINC000665764067 452350457 /nfs/dbraw/zinc/35/04/57/452350457.db2.gz TVMMOHQUWOJBTN-GVDBMIGSSA-N 2 1 342.528 1.857 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C[C@@H](CC)O1 ZINC000665764067 452350463 /nfs/dbraw/zinc/35/04/63/452350463.db2.gz TVMMOHQUWOJBTN-GVDBMIGSSA-N 2 1 342.528 1.857 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638071513 452381990 /nfs/dbraw/zinc/38/19/90/452381990.db2.gz FZAQGTLMRNNCQV-SFHVURJKSA-N 2 1 344.503 1.438 20 0 EDADMP C[N@@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638071513 452381996 /nfs/dbraw/zinc/38/19/96/452381996.db2.gz FZAQGTLMRNNCQV-SFHVURJKSA-N 3 1 344.503 1.438 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638071513 452382001 /nfs/dbraw/zinc/38/20/01/452382001.db2.gz FZAQGTLMRNNCQV-SFHVURJKSA-N 3 1 344.503 1.438 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000663644709 452387837 /nfs/dbraw/zinc/38/78/37/452387837.db2.gz ZSOXJXQTFXSYLC-RDJZCZTQSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652216228 452410521 /nfs/dbraw/zinc/41/05/21/452410521.db2.gz MMYOJIRVVOTKMA-NJAFHUGGSA-N 2 1 330.476 1.553 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652216228 452410523 /nfs/dbraw/zinc/41/05/23/452410523.db2.gz MMYOJIRVVOTKMA-NJAFHUGGSA-N 2 1 330.476 1.553 20 0 EDADMP [NH3+]C1(CNC(=O)N2CC[NH+](CCc3cccs3)CC2)CCCC1 ZINC000659570231 452426008 /nfs/dbraw/zinc/42/60/08/452426008.db2.gz GUSNFEHSYMYIQE-UHFFFAOYSA-N 2 1 336.505 1.889 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000659578541 452434144 /nfs/dbraw/zinc/43/41/44/452434144.db2.gz DKZNHKLWNYJWGX-NCXUSEDFSA-N 2 1 342.487 1.868 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000659612939 452469129 /nfs/dbraw/zinc/46/91/29/452469129.db2.gz YIOLZVDVSWPTEG-BRWVUGGUSA-N 2 1 348.491 1.166 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000652340982 452513113 /nfs/dbraw/zinc/51/31/13/452513113.db2.gz RNZXWFVEGGWSQE-CQSZACIVSA-N 2 1 337.489 1.688 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(=O)n4ccccc4n3)C2)C1 ZINC000652345518 452518861 /nfs/dbraw/zinc/51/88/61/452518861.db2.gz DEWNSJRXWDERDJ-INMHGKMJSA-N 2 1 342.443 1.413 20 0 EDADMP CNC(=O)c1cccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655714981 452531596 /nfs/dbraw/zinc/53/15/96/452531596.db2.gz FWGHSNALJUDCHB-LJQANCHMSA-N 2 1 345.487 1.822 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482041 452550734 /nfs/dbraw/zinc/55/07/34/452550734.db2.gz VZHVSYBEPOPJDU-SUJAAXHWSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482041 452550744 /nfs/dbraw/zinc/55/07/44/452550744.db2.gz VZHVSYBEPOPJDU-SUJAAXHWSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482041 452550752 /nfs/dbraw/zinc/55/07/52/452550752.db2.gz VZHVSYBEPOPJDU-SUJAAXHWSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482041 452550761 /nfs/dbraw/zinc/55/07/61/452550761.db2.gz VZHVSYBEPOPJDU-SUJAAXHWSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H](C)O)CC1 ZINC000661770671 452565251 /nfs/dbraw/zinc/56/52/51/452565251.db2.gz GYFQKJBLWCPPES-ZIFCJYIRSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H](C)O)CC1 ZINC000661770671 452565254 /nfs/dbraw/zinc/56/52/54/452565254.db2.gz GYFQKJBLWCPPES-ZIFCJYIRSA-N 2 1 345.487 1.737 20 0 EDADMP CC1(C)C[C@H](O)CC[NH+](CC(O)C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000650163615 452565539 /nfs/dbraw/zinc/56/55/39/452565539.db2.gz FHIVLZHSTFCWFG-HZPDHXFCSA-N 2 1 342.524 1.313 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000640293845 452589007 /nfs/dbraw/zinc/58/90/07/452589007.db2.gz BRNKVENAVGAUMB-SFHVURJKSA-N 2 1 330.476 1.950 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655916063 452676150 /nfs/dbraw/zinc/67/61/50/452676150.db2.gz ZMDGRLPVKAFEJA-ZDUSSCGKSA-N 2 1 332.370 1.827 20 0 EDADMP [NH3+]C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(F)(F)F ZINC000655921576 452684651 /nfs/dbraw/zinc/68/46/51/452684651.db2.gz PBEJDRLRGNOBIT-RTXFEEFZSA-N 2 1 334.386 1.534 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000645685219 452687691 /nfs/dbraw/zinc/68/76/91/452687691.db2.gz WCIMFXMUCHDVDX-DZGCQCFKSA-N 2 1 340.265 1.833 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000647957284 452700726 /nfs/dbraw/zinc/70/07/26/452700726.db2.gz IWWWEHWQUXPNKY-QAPCUYQASA-N 2 1 331.464 1.961 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000647957284 452700731 /nfs/dbraw/zinc/70/07/31/452700731.db2.gz IWWWEHWQUXPNKY-QAPCUYQASA-N 2 1 331.464 1.961 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000647957284 452700738 /nfs/dbraw/zinc/70/07/38/452700738.db2.gz IWWWEHWQUXPNKY-QAPCUYQASA-N 2 1 331.464 1.961 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000647957284 452700745 /nfs/dbraw/zinc/70/07/45/452700745.db2.gz IWWWEHWQUXPNKY-QAPCUYQASA-N 2 1 331.464 1.961 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000647966483 452710271 /nfs/dbraw/zinc/71/02/71/452710271.db2.gz VRHXDLMBFORUJT-FQEVSTJZSA-N 2 1 348.535 1.721 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC000661953140 452715122 /nfs/dbraw/zinc/71/51/22/452715122.db2.gz MGJCHECHZGVHNL-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977901 452723738 /nfs/dbraw/zinc/72/37/38/452723738.db2.gz JOTUWOOEEHQRTI-MCIONIFRSA-N 2 1 333.484 1.292 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000647977431 452724371 /nfs/dbraw/zinc/72/43/71/452724371.db2.gz BFMHMLGXDUDEHV-HCXYKTFWSA-N 2 1 349.519 1.868 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654648177 452737727 /nfs/dbraw/zinc/73/77/27/452737727.db2.gz KBEMYFMKWDYXIH-ZACQAIPSSA-N 2 1 342.528 1.713 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654648177 452737734 /nfs/dbraw/zinc/73/77/34/452737734.db2.gz KBEMYFMKWDYXIH-ZACQAIPSSA-N 2 1 342.528 1.713 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCO1 ZINC000664181814 452850446 /nfs/dbraw/zinc/85/04/46/452850446.db2.gz MIPWWTWXMDWMHC-IAGOWNOFSA-N 2 1 338.496 1.223 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCO1 ZINC000664181812 452850537 /nfs/dbraw/zinc/85/05/37/452850537.db2.gz MIPWWTWXMDWMHC-DLBZAZTESA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)[C@H](C)C1 ZINC000654734435 452861766 /nfs/dbraw/zinc/86/17/66/452861766.db2.gz KWOGLZBEAHIERO-YYIAUSFCSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@H](C)C1 ZINC000654734435 452861778 /nfs/dbraw/zinc/86/17/78/452861778.db2.gz KWOGLZBEAHIERO-YYIAUSFCSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)[C@H](C)C1 ZINC000654734435 452861785 /nfs/dbraw/zinc/86/17/85/452861785.db2.gz KWOGLZBEAHIERO-YYIAUSFCSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc(C2CCOCC2)no1 ZINC000664196990 452868864 /nfs/dbraw/zinc/86/88/64/452868864.db2.gz XOTPLFGFJLXDLL-ZDUSSCGKSA-N 2 1 325.457 1.648 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc(C2CCOCC2)no1 ZINC000664196990 452868872 /nfs/dbraw/zinc/86/88/72/452868872.db2.gz XOTPLFGFJLXDLL-ZDUSSCGKSA-N 2 1 325.457 1.648 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)CC[N@H+]1C ZINC000664215410 452889730 /nfs/dbraw/zinc/88/97/30/452889730.db2.gz BMCCDXKYWWIKLB-RDBSUJKOSA-N 2 1 337.468 1.262 20 0 EDADMP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000648178032 452890118 /nfs/dbraw/zinc/89/01/18/452890118.db2.gz LHVNVAGTKGRLCD-MSOLQXFVSA-N 2 1 344.503 1.471 20 0 EDADMP [NH3+]C1(CNC(=O)[C@H]2CCCCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000648178146 452891085 /nfs/dbraw/zinc/89/10/85/452891085.db2.gz VFTCPVICQFNGRB-GOSISDBHSA-N 2 1 344.503 1.628 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000648178106 452892369 /nfs/dbraw/zinc/89/23/69/452892369.db2.gz QKYWSXXCLXGSHP-XHSDSOJGSA-N 2 1 346.475 1.624 20 0 EDADMP CCN1CCC([NH+]2CCC(C(=O)NCc3cc(C)[nH]n3)CC2)CC1 ZINC000654788037 452922698 /nfs/dbraw/zinc/92/26/98/452922698.db2.gz NVIAUVIWMWDKFT-UHFFFAOYSA-N 2 1 333.480 1.531 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3-n3cncn3)C2)C1 ZINC000650706842 452945863 /nfs/dbraw/zinc/94/58/63/452945863.db2.gz UGFHQVSOLSAYRD-LMMKCTJWSA-N 2 1 341.459 1.986 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)[C@@H](Cc2ccccc2)C1 ZINC000650725133 452954432 /nfs/dbraw/zinc/95/44/32/452954432.db2.gz UDHJRFVXCLLDJH-ROUUACIJSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)[C@@H](Cc2ccccc2)C1 ZINC000650725133 452954439 /nfs/dbraw/zinc/95/44/39/452954439.db2.gz UDHJRFVXCLLDJH-ROUUACIJSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000650725133 452954445 /nfs/dbraw/zinc/95/44/45/452954445.db2.gz UDHJRFVXCLLDJH-ROUUACIJSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000650725133 452954451 /nfs/dbraw/zinc/95/44/51/452954451.db2.gz UDHJRFVXCLLDJH-ROUUACIJSA-N 2 1 330.476 1.649 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1)c1ccccc1 ZINC000662256923 452984714 /nfs/dbraw/zinc/98/47/14/452984714.db2.gz KCNVIXYWJZTUDI-AEFFLSMTSA-N 2 1 343.471 1.649 20 0 EDADMP CCOc1ccc(CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662261209 452991226 /nfs/dbraw/zinc/99/12/26/452991226.db2.gz UTKZFAJSJZVEDG-LJQANCHMSA-N 2 1 345.487 1.724 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)C1 ZINC000646002934 452997560 /nfs/dbraw/zinc/99/75/60/452997560.db2.gz KHCPEXBTOPYWPF-WHBLYCTDSA-N 2 1 348.535 1.378 20 0 EDADMP O=C1[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CCN1CC(F)(F)F ZINC000662294524 453016868 /nfs/dbraw/zinc/01/68/68/453016868.db2.gz XKBLBAWHSJQLMU-KBPBESRZSA-N 2 1 333.398 1.861 20 0 EDADMP Cc1cc(=O)n2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)sc2n1 ZINC000662297855 453018637 /nfs/dbraw/zinc/01/86/37/453018637.db2.gz SLQFDLBZXRZOFI-AWEZNQCLSA-N 2 1 347.488 1.671 20 0 EDADMP C[C@@H]1CN(CCO)CCN1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666660458 453045559 /nfs/dbraw/zinc/04/55/59/453045559.db2.gz NXUMYVIZFVPXRN-HZPDHXFCSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000666660458 453045563 /nfs/dbraw/zinc/04/55/63/453045563.db2.gz NXUMYVIZFVPXRN-HZPDHXFCSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000666660458 453045568 /nfs/dbraw/zinc/04/55/68/453045568.db2.gz NXUMYVIZFVPXRN-HZPDHXFCSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666660458 453045573 /nfs/dbraw/zinc/04/55/73/453045573.db2.gz NXUMYVIZFVPXRN-HZPDHXFCSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666660458 453045576 /nfs/dbraw/zinc/04/55/76/453045576.db2.gz NXUMYVIZFVPXRN-HZPDHXFCSA-N 2 1 338.496 1.101 20 0 EDADMP C[N@@H+](CCCCNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000656308226 453048068 /nfs/dbraw/zinc/04/80/68/453048068.db2.gz AJSMVNAYNRNSBD-SJORKVTESA-N 2 1 338.496 1.101 20 0 EDADMP Cc1ccc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)nc1 ZINC000662338343 453054954 /nfs/dbraw/zinc/05/49/54/453054954.db2.gz QRENRPNTNQHQEH-INIZCTEOSA-N 2 1 340.475 1.902 20 0 EDADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660156849 453090532 /nfs/dbraw/zinc/09/05/32/453090532.db2.gz SCZJMAIVEAJXSA-ICBNADEASA-N 2 1 348.535 1.392 20 0 EDADMP C[C@@H]1C[N@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660156849 453090542 /nfs/dbraw/zinc/09/05/42/453090542.db2.gz SCZJMAIVEAJXSA-ICBNADEASA-N 2 1 348.535 1.392 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662401814 453112654 /nfs/dbraw/zinc/11/26/54/453112654.db2.gz BNVMSPMCFZFRGI-KBPBESRZSA-N 2 1 333.480 1.727 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000654995182 453113145 /nfs/dbraw/zinc/11/31/45/453113145.db2.gz YJRSJUONAZKBCN-INIZCTEOSA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000654995182 453113177 /nfs/dbraw/zinc/11/31/77/453113177.db2.gz YJRSJUONAZKBCN-INIZCTEOSA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000654995182 453113182 /nfs/dbraw/zinc/11/31/82/453113182.db2.gz YJRSJUONAZKBCN-INIZCTEOSA-N 2 1 339.528 1.137 20 0 EDADMP C[N@@H+](CCNC(=O)c1cnnn1C1CC[NH2+]CC1)C1CCCCC1 ZINC000662415722 453125716 /nfs/dbraw/zinc/12/57/16/453125716.db2.gz WLWUVDGGYZOBAC-UHFFFAOYSA-N 2 1 334.468 1.197 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666787340 453146773 /nfs/dbraw/zinc/14/67/73/453146773.db2.gz JBZFNDGRRWEIAC-INIZCTEOSA-N 2 1 332.448 1.465 20 0 EDADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000646139702 453147916 /nfs/dbraw/zinc/14/79/16/453147916.db2.gz FYGDDPHMJFVEFC-WMZOPIPTSA-N 2 1 333.476 1.319 20 0 EDADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000662476720 453188757 /nfs/dbraw/zinc/18/87/57/453188757.db2.gz OUAGGLCKTNPPTP-ZDUSSCGKSA-N 2 1 335.473 1.188 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666973082 453287496 /nfs/dbraw/zinc/28/74/96/453287496.db2.gz OODJBXMJBMGJOI-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@H]1C[NH2+]CCCO1)c1cccc(Cl)c1Cl ZINC000662570240 453296015 /nfs/dbraw/zinc/29/60/15/453296015.db2.gz JBDWXOYWCXLHJK-YGRLFVJLSA-N 2 1 346.258 1.749 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)[C@@H](C)C1 ZINC000653120373 453311138 /nfs/dbraw/zinc/31/11/38/453311138.db2.gz PGSKTTCVHJEQEK-BBWFWOEESA-N 2 1 325.497 1.629 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653121468 453313614 /nfs/dbraw/zinc/31/36/14/453313614.db2.gz WANYHWRRQZGAPS-NXHRZFHOSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000651196673 453352253 /nfs/dbraw/zinc/35/22/53/453352253.db2.gz IRHYALMALBHBTD-MRXNPFEDSA-N 2 1 328.501 1.110 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000651196673 453352259 /nfs/dbraw/zinc/35/22/59/453352259.db2.gz IRHYALMALBHBTD-MRXNPFEDSA-N 2 1 328.501 1.110 20 0 EDADMP c1ccc2c(c1)CCC([NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000651231426 453382518 /nfs/dbraw/zinc/38/25/18/453382518.db2.gz DPWDXWJWBAYCSM-OAQYLSRUSA-N 2 1 343.515 1.930 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000662671995 453386672 /nfs/dbraw/zinc/38/66/72/453386672.db2.gz UBGYCOXZJBPKLD-IRXDYDNUSA-N 2 1 335.423 1.224 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000662671995 453386678 /nfs/dbraw/zinc/38/66/78/453386678.db2.gz UBGYCOXZJBPKLD-IRXDYDNUSA-N 2 1 335.423 1.224 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667078573 453392097 /nfs/dbraw/zinc/39/20/97/453392097.db2.gz ZGJGDNSLYLFDOB-ZBFHGGJFSA-N 2 1 330.432 1.027 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2cc(C(C)(C)[NH3+])no2)C[C@H](C)O1 ZINC000662690372 453409949 /nfs/dbraw/zinc/40/99/49/453409949.db2.gz ZWUUWPKAEJNPIO-BETUJISGSA-N 2 1 338.452 1.488 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000646484360 453430326 /nfs/dbraw/zinc/43/03/26/453430326.db2.gz PKJDAQPXRHIHGD-QRQLOZEOSA-N 2 1 344.503 1.526 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662744874 453473228 /nfs/dbraw/zinc/47/32/28/453473228.db2.gz IZEAJVXQFJBLHU-HZPDHXFCSA-N 2 1 348.495 1.539 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N(C)CC2C[NH+](C)C2)[C@H](C)C1 ZINC000660677379 453506143 /nfs/dbraw/zinc/50/61/43/453506143.db2.gz YYCOHJFDYOVSSX-NVXWUHKLSA-N 2 1 340.512 1.326 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655443036 453529877 /nfs/dbraw/zinc/52/98/77/453529877.db2.gz LCJPSPYVNNSBJM-AZUAARDMSA-N 2 1 343.471 1.525 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCO[C@H]1C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662804258 453539740 /nfs/dbraw/zinc/53/97/40/453539740.db2.gz PDZKZPPVLNPKQI-OWLYRPNTSA-N 2 1 331.460 1.377 20 0 EDADMP CC(C)([NH3+])c1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)on1 ZINC000662805320 453540425 /nfs/dbraw/zinc/54/04/25/453540425.db2.gz KOSPHVWKDZCQSO-JSGCOSHPSA-N 2 1 332.448 1.957 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000667326974 453558411 /nfs/dbraw/zinc/55/84/11/453558411.db2.gz FOPVIWBGOUKXPI-SFHVURJKSA-N 2 1 328.460 1.822 20 0 EDADMP O=C(NCC[NH+]1CC=CCC1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000667326974 453558417 /nfs/dbraw/zinc/55/84/17/453558417.db2.gz FOPVIWBGOUKXPI-SFHVURJKSA-N 2 1 328.460 1.822 20 0 EDADMP O=C(NCC[NH+]1CC=CCC1)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000667326974 453558424 /nfs/dbraw/zinc/55/84/24/453558424.db2.gz FOPVIWBGOUKXPI-SFHVURJKSA-N 2 1 328.460 1.822 20 0 EDADMP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662859798 453575153 /nfs/dbraw/zinc/57/51/53/453575153.db2.gz OSLNPAFACWVPLH-KRWDZBQOSA-N 2 1 333.476 1.635 20 0 EDADMP C[C@@]1(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CCC[NH2+]C1 ZINC000662860701 453576606 /nfs/dbraw/zinc/57/66/06/453576606.db2.gz UIAIKOBOVAJIBS-IEBWSBKVSA-N 2 1 331.460 1.259 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1csnn1 ZINC000665150129 453592604 /nfs/dbraw/zinc/59/26/04/453592604.db2.gz QRPNKEQBEUOFTF-RYUDHWBXSA-N 2 1 328.486 1.170 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1csnn1 ZINC000665150129 453592606 /nfs/dbraw/zinc/59/26/06/453592606.db2.gz QRPNKEQBEUOFTF-RYUDHWBXSA-N 2 1 328.486 1.170 20 0 EDADMP CN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900530 453593878 /nfs/dbraw/zinc/59/38/78/453593878.db2.gz MZZRIETUGYEHDU-SFHVURJKSA-N 2 1 330.476 1.386 20 0 EDADMP CN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900530 453593879 /nfs/dbraw/zinc/59/38/79/453593879.db2.gz MZZRIETUGYEHDU-SFHVURJKSA-N 2 1 330.476 1.386 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659095553 453628346 /nfs/dbraw/zinc/62/83/46/453628346.db2.gz DQRKUWWQTPOMBM-OAHLLOKOSA-N 2 1 332.448 1.334 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C[NH2+]C(C)C)cc2)CC1 ZINC000659286916 453701684 /nfs/dbraw/zinc/70/16/84/453701684.db2.gz SWSLNZJRMZXCTB-UHFFFAOYSA-N 2 1 332.448 1.401 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000659312134 453711541 /nfs/dbraw/zinc/71/15/41/453711541.db2.gz WCHQNIPDABLPGV-GJZGRUSLSA-N 2 1 325.840 1.565 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000661209390 453760174 /nfs/dbraw/zinc/76/01/74/453760174.db2.gz HKRVHANWEUHXIV-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP Cn1nc(C(F)(F)F)cc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657349451 453771496 /nfs/dbraw/zinc/77/14/96/453771496.db2.gz HHPKGCDOABHOHD-UHFFFAOYSA-N 2 1 333.402 1.556 20 0 EDADMP CC[C@H]1CO[C@@H](C)CN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665636658 453777686 /nfs/dbraw/zinc/77/76/86/453777686.db2.gz FMFVFJLPZZKDOA-JYJNAYRXSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@H]1CO[C@@H](C)CN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665636658 453777687 /nfs/dbraw/zinc/77/76/87/453777687.db2.gz FMFVFJLPZZKDOA-JYJNAYRXSA-N 2 1 328.501 1.467 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)CC(C)C ZINC000676245476 486704837 /nfs/dbraw/zinc/70/48/37/486704837.db2.gz MODFKYYJGUAPBA-YESZJQIVSA-N 2 1 342.528 1.761 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)CC(C)C ZINC000676245476 486704840 /nfs/dbraw/zinc/70/48/40/486704840.db2.gz MODFKYYJGUAPBA-YESZJQIVSA-N 2 1 342.528 1.761 20 0 EDADMP C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676246601 486706636 /nfs/dbraw/zinc/70/66/36/486706636.db2.gz XGONBSJYCXTMTE-HPFXQQBRSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676246601 486706639 /nfs/dbraw/zinc/70/66/39/486706639.db2.gz XGONBSJYCXTMTE-HPFXQQBRSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000676307850 486730098 /nfs/dbraw/zinc/73/00/98/486730098.db2.gz RVOVCVQDOHSRMG-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000676307850 486730102 /nfs/dbraw/zinc/73/01/02/486730102.db2.gz RVOVCVQDOHSRMG-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H](NC(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676307850 486730108 /nfs/dbraw/zinc/73/01/08/486730108.db2.gz RVOVCVQDOHSRMG-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H](NC(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676307850 486730113 /nfs/dbraw/zinc/73/01/13/486730113.db2.gz RVOVCVQDOHSRMG-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000672961507 486856784 /nfs/dbraw/zinc/85/67/84/486856784.db2.gz DBVGPTYITACYDJ-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000672961507 486856790 /nfs/dbraw/zinc/85/67/90/486856790.db2.gz DBVGPTYITACYDJ-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cncc(COC)c1 ZINC000680927819 486896421 /nfs/dbraw/zinc/89/64/21/486896421.db2.gz RDBMRLITPICMEC-SFHVURJKSA-N 2 1 348.491 1.716 20 0 EDADMP CCOc1nc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)co1 ZINC000681252510 486991528 /nfs/dbraw/zinc/99/15/28/486991528.db2.gz AZZJYBHXFCZOLM-AWEZNQCLSA-N 2 1 338.452 1.561 20 0 EDADMP CN(c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)S(C)(=O)=O ZINC000677242014 487019132 /nfs/dbraw/zinc/01/91/32/487019132.db2.gz WDERPLGREBPQAS-NVXWUHKLSA-N 2 1 337.489 1.799 20 0 EDADMP CC(C)Oc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000677247712 487019559 /nfs/dbraw/zinc/01/95/59/487019559.db2.gz JIOYFQCYUBZIHN-HNNXBMFYSA-N 2 1 346.475 1.767 20 0 EDADMP CC(C)Oc1cccc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000677247712 487019564 /nfs/dbraw/zinc/01/95/64/487019564.db2.gz JIOYFQCYUBZIHN-HNNXBMFYSA-N 2 1 346.475 1.767 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCN1Cc1ccccn1 ZINC000673640512 487074749 /nfs/dbraw/zinc/07/47/49/487074749.db2.gz ICGXLAGPIUCTAZ-KBAYOESNSA-N 2 1 328.460 1.789 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000673640512 487074753 /nfs/dbraw/zinc/07/47/53/487074753.db2.gz ICGXLAGPIUCTAZ-KBAYOESNSA-N 2 1 328.460 1.789 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000673640512 487074760 /nfs/dbraw/zinc/07/47/60/487074760.db2.gz ICGXLAGPIUCTAZ-KBAYOESNSA-N 2 1 328.460 1.789 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673640512 487074764 /nfs/dbraw/zinc/07/47/64/487074764.db2.gz ICGXLAGPIUCTAZ-KBAYOESNSA-N 2 1 328.460 1.789 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673640512 487074770 /nfs/dbraw/zinc/07/47/70/487074770.db2.gz ICGXLAGPIUCTAZ-KBAYOESNSA-N 2 1 328.460 1.789 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000677429914 487079142 /nfs/dbraw/zinc/07/91/42/487079142.db2.gz NUUALQFIDMCVLB-FUHWJXTLSA-N 2 1 328.460 1.957 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000677429914 487079147 /nfs/dbraw/zinc/07/91/47/487079147.db2.gz NUUALQFIDMCVLB-FUHWJXTLSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000677429914 487079150 /nfs/dbraw/zinc/07/91/50/487079150.db2.gz NUUALQFIDMCVLB-FUHWJXTLSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000677429914 487079155 /nfs/dbraw/zinc/07/91/55/487079155.db2.gz NUUALQFIDMCVLB-FUHWJXTLSA-N 2 1 328.460 1.957 20 0 EDADMP Cn1cc(CCC[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cn1 ZINC000681711539 487139999 /nfs/dbraw/zinc/13/99/99/487139999.db2.gz MDCIVDXHDSVYMG-HXUWFJFHSA-N 2 1 342.487 1.922 20 0 EDADMP Cn1cc(CCC[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cn1 ZINC000681711539 487140002 /nfs/dbraw/zinc/14/00/02/487140002.db2.gz MDCIVDXHDSVYMG-HXUWFJFHSA-N 2 1 342.487 1.922 20 0 EDADMP Cn1cc(CCC[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000681711539 487140006 /nfs/dbraw/zinc/14/00/06/487140006.db2.gz MDCIVDXHDSVYMG-HXUWFJFHSA-N 2 1 342.487 1.922 20 0 EDADMP Cn1cc(CCC[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000681711539 487140011 /nfs/dbraw/zinc/14/00/11/487140011.db2.gz MDCIVDXHDSVYMG-HXUWFJFHSA-N 2 1 342.487 1.922 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000683136672 487453345 /nfs/dbraw/zinc/45/33/45/487453345.db2.gz BAMUGJWRLSLRDT-UYAOXDASSA-N 2 1 345.487 1.422 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000683136672 487453346 /nfs/dbraw/zinc/45/33/46/487453346.db2.gz BAMUGJWRLSLRDT-UYAOXDASSA-N 2 1 345.487 1.422 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000683136672 487453348 /nfs/dbraw/zinc/45/33/48/487453348.db2.gz BAMUGJWRLSLRDT-UYAOXDASSA-N 2 1 345.487 1.422 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000669517942 485483329 /nfs/dbraw/zinc/48/33/29/485483329.db2.gz YUJYRZKBVHFWFG-KSZLIROESA-N 2 1 343.471 1.804 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NC/C=C/C[NH3+])C2)cc(OC)c1 ZINC000669526083 485496889 /nfs/dbraw/zinc/49/68/89/485496889.db2.gz XXNJOYMSYSPYEU-NHZBNJEXSA-N 2 1 348.447 1.092 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)NC/C=C/C[NH3+])C2)cc(OC)c1 ZINC000669526083 485496899 /nfs/dbraw/zinc/49/68/99/485496899.db2.gz XXNJOYMSYSPYEU-NHZBNJEXSA-N 2 1 348.447 1.092 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[C@H]1c1ccccc1 ZINC000669545867 485536775 /nfs/dbraw/zinc/53/67/75/485536775.db2.gz IDKHDBVDROZYDF-LEUOFYLZSA-N 2 1 328.460 1.825 20 0 EDADMP C[C@@H](NC(=O)NCC[NH2+]C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000669554895 485554339 /nfs/dbraw/zinc/55/43/39/485554339.db2.gz UOBTVUITLIMNMJ-NVXWUHKLSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H](NC(=O)NCC[NH2+]C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000669554894 485554745 /nfs/dbraw/zinc/55/47/45/485554745.db2.gz UOBTVUITLIMNMJ-DOTOQJQBSA-N 2 1 330.476 1.948 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c(N2CCCC2)[nH+]1 ZINC000669555500 485556373 /nfs/dbraw/zinc/55/63/73/485556373.db2.gz HACRFRNPWOPVLN-GJZGRUSLSA-N 2 1 331.464 1.882 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1(C)C ZINC000669580310 485625250 /nfs/dbraw/zinc/62/52/50/485625250.db2.gz ZGTNPBJJLWIMJC-WKILWMFISA-N 2 1 339.528 1.077 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccn3C3CC[NH2+]CC3)CC[C@H]21 ZINC000325195523 485663786 /nfs/dbraw/zinc/66/37/86/485663786.db2.gz DSIHGYJSBFFLAK-NVXWUHKLSA-N 2 1 330.476 1.969 20 0 EDADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848035 485692660 /nfs/dbraw/zinc/69/26/60/485692660.db2.gz YOFSVMORYAUZBQ-CQSZACIVSA-N 2 1 347.463 1.607 20 0 EDADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848035 485692667 /nfs/dbraw/zinc/69/26/67/485692667.db2.gz YOFSVMORYAUZBQ-CQSZACIVSA-N 2 1 347.463 1.607 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC2C[NH2+]C2)C1 ZINC000669125118 485706247 /nfs/dbraw/zinc/70/62/47/485706247.db2.gz KTFYHHYKCKMACP-OAHLLOKOSA-N 2 1 330.476 1.937 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000668436823 485749456 /nfs/dbraw/zinc/74/94/56/485749456.db2.gz OYOGCNYNEGTJRD-RTBURBONSA-N 2 1 345.487 1.703 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669312717 485959745 /nfs/dbraw/zinc/95/97/45/485959745.db2.gz CQCLEZCSLGCHSV-PKOBYXMFSA-N 2 1 342.487 1.828 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@@H]1CCCC[NH2+]1 ZINC000669459254 486213538 /nfs/dbraw/zinc/21/35/38/486213538.db2.gz ZZLWYBPJCJEATM-MOPGFXCFSA-N 2 1 344.503 1.992 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636498671 486303351 /nfs/dbraw/zinc/30/33/51/486303351.db2.gz YPJYASHHRZBESE-GOSISDBHSA-N 2 1 348.491 1.394 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccncc1N(C)C ZINC000670081196 486607641 /nfs/dbraw/zinc/60/76/41/486607641.db2.gz WTDCXMQWXULQES-CQSZACIVSA-N 2 1 347.463 1.287 20 0 EDADMP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000088577494 491196472 /nfs/dbraw/zinc/19/64/72/491196472.db2.gz ALMKNWSCUDFGOA-MRXNPFEDSA-N 2 1 334.464 1.837 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000090581843 491199285 /nfs/dbraw/zinc/19/92/85/491199285.db2.gz UYZMRSQJDRBYDW-ZIAGYGMSSA-N 2 1 343.518 1.551 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000090581843 491199287 /nfs/dbraw/zinc/19/92/87/491199287.db2.gz UYZMRSQJDRBYDW-ZIAGYGMSSA-N 2 1 343.518 1.551 20 0 EDADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000085389398 491189097 /nfs/dbraw/zinc/18/90/97/491189097.db2.gz QKIPQSVQOWHYQW-HNNXBMFYSA-N 2 1 341.544 1.288 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000181054213 533746577 /nfs/dbraw/zinc/74/65/77/533746577.db2.gz SGZKYWPCHRQUDJ-YJBOKZPZSA-N 2 1 336.480 1.119 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@@](C)(O)C3)CC2)cc1 ZINC000178002944 533923619 /nfs/dbraw/zinc/92/36/19/533923619.db2.gz AOUVPTRMQXDUOT-HXUWFJFHSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@](C)(O)C3)CC2)cc1 ZINC000178002944 533923629 /nfs/dbraw/zinc/92/36/29/533923629.db2.gz AOUVPTRMQXDUOT-HXUWFJFHSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@@](C)(O)C3)CC2)cc1 ZINC000178002944 533923640 /nfs/dbraw/zinc/92/36/40/533923640.db2.gz AOUVPTRMQXDUOT-HXUWFJFHSA-N 2 1 345.487 1.486 20 0 EDADMP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1)[N@@H+](C)C1CC1 ZINC000171645748 534098732 /nfs/dbraw/zinc/09/87/32/534098732.db2.gz WEVOVRUPKJYZSS-OAHLLOKOSA-N 2 1 345.491 1.828 20 0 EDADMP CC1CC[NH+](CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000154537310 528227904 /nfs/dbraw/zinc/22/79/04/528227904.db2.gz CAJMZVAEAJAHAE-DFNIBXOVSA-N 2 1 348.535 1.488 20 0 EDADMP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000164578539 528256141 /nfs/dbraw/zinc/25/61/41/528256141.db2.gz MPRHKUUTXJLPCS-SFHVURJKSA-N 2 1 331.460 1.523 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000153544641 529056889 /nfs/dbraw/zinc/05/68/89/529056889.db2.gz VEGFOKQOJDSCJQ-KURKYZTESA-N 2 1 325.497 1.017 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000246507695 535123857 /nfs/dbraw/zinc/12/38/57/535123857.db2.gz QHXGKCVQVJVUEK-CGTJXYLNSA-N 2 1 333.476 1.796 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000236690294 535144475 /nfs/dbraw/zinc/14/44/75/535144475.db2.gz QCCIKZPOQHCPJC-OALUTQOASA-N 2 1 347.503 1.810 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093742287 535263849 /nfs/dbraw/zinc/26/38/49/535263849.db2.gz FDIXKXDUJVSUDI-KRWDZBQOSA-N 2 1 346.523 1.392 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093742287 535263852 /nfs/dbraw/zinc/26/38/52/535263852.db2.gz FDIXKXDUJVSUDI-KRWDZBQOSA-N 2 1 346.523 1.392 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](c2nc(C3([NH3+])CCCC3)no2)CC1=O ZINC000261835275 535556074 /nfs/dbraw/zinc/55/60/74/535556074.db2.gz RODILGDLQVHFQA-ZIAGYGMSSA-N 2 1 347.463 1.598 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[NH+](C)C2CC2)CC[N@H+]1CCOC ZINC000347189793 535736924 /nfs/dbraw/zinc/73/69/24/535736924.db2.gz QLTJXANIPLWSAF-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[N@H+](C)C2CC2)CC[NH+]1CCOC ZINC000347189793 535736929 /nfs/dbraw/zinc/73/69/29/535736929.db2.gz QLTJXANIPLWSAF-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[N@@H+](C)C2CC2)CC[NH+]1CCOC ZINC000347189793 535736936 /nfs/dbraw/zinc/73/69/36/535736936.db2.gz QLTJXANIPLWSAF-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261616911 535862827 /nfs/dbraw/zinc/86/28/27/535862827.db2.gz FLSPFCBQVDFEJW-MRXNPFEDSA-N 2 1 346.475 1.283 20 0 EDADMP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261616911 535862833 /nfs/dbraw/zinc/86/28/33/535862833.db2.gz FLSPFCBQVDFEJW-MRXNPFEDSA-N 2 1 346.475 1.283 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)NCC[NH+]2CCSCC2)cc1 ZINC000352665815 536006961 /nfs/dbraw/zinc/00/69/61/536006961.db2.gz SUZWLJAAUMTFQI-UHFFFAOYSA-N 2 1 336.505 1.596 20 0 EDADMP CCc1cnc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000346693539 536034246 /nfs/dbraw/zinc/03/42/46/536034246.db2.gz NQEQOQRLMGKDKS-HIFRSBDPSA-N 2 1 336.505 1.786 20 0 EDADMP CCc1cnc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000346693539 536034251 /nfs/dbraw/zinc/03/42/51/536034251.db2.gz NQEQOQRLMGKDKS-HIFRSBDPSA-N 2 1 336.505 1.786 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271474486 536075725 /nfs/dbraw/zinc/07/57/25/536075725.db2.gz ZTMNLTDUKMDAAC-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2csc(CC[NH3+])n2)C1 ZINC000194835146 536174029 /nfs/dbraw/zinc/17/40/29/536174029.db2.gz HFWJXPBHXQUNQW-GFCCVEGCSA-N 2 1 333.461 1.881 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000262301500 536386494 /nfs/dbraw/zinc/38/64/94/536386494.db2.gz BOWCGPSAQASWTF-OLMNPRSZSA-N 2 1 341.459 1.460 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000262301500 536386499 /nfs/dbraw/zinc/38/64/99/536386499.db2.gz BOWCGPSAQASWTF-OLMNPRSZSA-N 2 1 341.459 1.460 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000262301519 536387505 /nfs/dbraw/zinc/38/75/05/536387505.db2.gz BOWCGPSAQASWTF-WBAXXEDZSA-N 2 1 341.459 1.460 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000262301519 536387507 /nfs/dbraw/zinc/38/75/07/536387507.db2.gz BOWCGPSAQASWTF-WBAXXEDZSA-N 2 1 341.459 1.460 20 0 EDADMP COc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1SC ZINC000347112677 536749758 /nfs/dbraw/zinc/74/97/58/536749758.db2.gz RNUKXXLWGYMIDL-CQSZACIVSA-N 2 1 337.489 1.704 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000743768072 579490445 /nfs/dbraw/zinc/49/04/45/579490445.db2.gz SXHLSWULLVFDDA-OALUTQOASA-N 2 1 345.487 1.500 20 0 EDADMP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000743983327 579497068 /nfs/dbraw/zinc/49/70/68/579497068.db2.gz VYNRDFAMPVKXNU-ZDUSSCGKSA-N 2 1 330.432 1.171 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000743983327 579497069 /nfs/dbraw/zinc/49/70/69/579497069.db2.gz VYNRDFAMPVKXNU-ZDUSSCGKSA-N 2 1 330.432 1.171 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000743983327 579497071 /nfs/dbraw/zinc/49/70/71/579497071.db2.gz VYNRDFAMPVKXNU-ZDUSSCGKSA-N 2 1 330.432 1.171 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000743983327 579497073 /nfs/dbraw/zinc/49/70/73/579497073.db2.gz VYNRDFAMPVKXNU-ZDUSSCGKSA-N 2 1 330.432 1.171 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=S)NCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000760483643 580031830 /nfs/dbraw/zinc/03/18/30/580031830.db2.gz BZTYBEGOMXVOMO-GOEBONIOSA-N 2 1 326.554 1.865 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000734277309 578804496 /nfs/dbraw/zinc/80/44/96/578804496.db2.gz UBVVRKALJBQYLE-DOTOQJQBSA-N 2 1 338.496 1.271 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000745823537 579564435 /nfs/dbraw/zinc/56/44/35/579564435.db2.gz CMAUGZRYWIHBGK-IAGOWNOFSA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000746161769 579574442 /nfs/dbraw/zinc/57/44/42/579574442.db2.gz BEIOBKPSSNXBBZ-KRWDZBQOSA-N 2 1 325.497 1.870 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000746161769 579574443 /nfs/dbraw/zinc/57/44/43/579574443.db2.gz BEIOBKPSSNXBBZ-KRWDZBQOSA-N 2 1 325.497 1.870 20 0 EDADMP CCCCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000748437198 579686421 /nfs/dbraw/zinc/68/64/21/579686421.db2.gz SDFQXRPMTVULFS-QZTJIDSGSA-N 2 1 339.524 1.852 20 0 EDADMP CCCCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000748437198 579686422 /nfs/dbraw/zinc/68/64/22/579686422.db2.gz SDFQXRPMTVULFS-QZTJIDSGSA-N 2 1 339.524 1.852 20 0 EDADMP C[C@@H](NC(=S)NCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778533034 580467062 /nfs/dbraw/zinc/46/70/62/580467062.db2.gz XWAHQIFLSZXRQG-WBVHZDCISA-N 2 1 334.533 1.923 20 0 EDADMP CC(C)C[C@@H](C)N(C)C(=O)CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000779656404 580493737 /nfs/dbraw/zinc/49/37/37/580493737.db2.gz XULREZWMEQKLRG-HUUCEWRRSA-N 2 1 342.484 1.487 20 0 EDADMP CC(C)C[C@@H](C)N(C)C(=O)CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000779656404 580493738 /nfs/dbraw/zinc/49/37/38/580493738.db2.gz XULREZWMEQKLRG-HUUCEWRRSA-N 2 1 342.484 1.487 20 0 EDADMP CC[C@@H](C(=O)O[C@@H](C)C(=O)N1CCN(CC)CC1)N(CC)CC ZINC000783782816 580606204 /nfs/dbraw/zinc/60/62/04/580606204.db2.gz JWTPFWDZJABNNA-GJZGRUSLSA-N 2 1 327.469 1.203 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000891816094 590634548 /nfs/dbraw/zinc/63/45/48/590634548.db2.gz MJYPJXZUVIEHFW-INIZCTEOSA-N 2 1 348.491 1.768 20 0 EDADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891857439 590658164 /nfs/dbraw/zinc/65/81/64/590658164.db2.gz BEJTURQXGPHLOL-TZMCWYRMSA-N 2 1 330.423 1.547 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)NCCC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000891893512 590676278 /nfs/dbraw/zinc/67/62/78/590676278.db2.gz WKNOMJQNFSPTHG-RTBURBONSA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+]1C[C@H]2CCN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000891893512 590676280 /nfs/dbraw/zinc/67/62/80/590676280.db2.gz WKNOMJQNFSPTHG-RTBURBONSA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+]1C[C@H]2CCN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000891893512 590676281 /nfs/dbraw/zinc/67/62/81/590676281.db2.gz WKNOMJQNFSPTHG-RTBURBONSA-N 2 1 342.487 1.780 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000892004079 590738531 /nfs/dbraw/zinc/73/85/31/590738531.db2.gz BYCMVBDUDCAUQO-MSOLQXFVSA-N 2 1 346.475 1.247 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000892004079 590738535 /nfs/dbraw/zinc/73/85/35/590738535.db2.gz BYCMVBDUDCAUQO-MSOLQXFVSA-N 2 1 346.475 1.247 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000892013205 590744524 /nfs/dbraw/zinc/74/45/24/590744524.db2.gz CRRWSDJLPXXSCH-ROUUACIJSA-N 2 1 346.475 1.247 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000892013205 590744527 /nfs/dbraw/zinc/74/45/27/590744527.db2.gz CRRWSDJLPXXSCH-ROUUACIJSA-N 2 1 346.475 1.247 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NCC2([NH3+])CCC2)C1 ZINC000892052901 590773445 /nfs/dbraw/zinc/77/34/45/590773445.db2.gz GWKFWVIVSBHTJR-QGZVFWFLSA-N 2 1 346.475 1.376 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NCC2([NH3+])CCC2)C1 ZINC000892052901 590773447 /nfs/dbraw/zinc/77/34/47/590773447.db2.gz GWKFWVIVSBHTJR-QGZVFWFLSA-N 2 1 346.475 1.376 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000892140918 590819347 /nfs/dbraw/zinc/81/93/47/590819347.db2.gz FHLLXFMMILPTPJ-HLLBOEOZSA-N 2 1 334.464 1.231 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000892140918 590819351 /nfs/dbraw/zinc/81/93/51/590819351.db2.gz FHLLXFMMILPTPJ-HLLBOEOZSA-N 2 1 334.464 1.231 20 0 EDADMP Cc1[nH+]ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1Br ZINC000892142345 590820421 /nfs/dbraw/zinc/82/04/21/590820421.db2.gz GCUUJOHGXQBOOW-NEPJUHHUSA-N 2 1 326.238 1.850 20 0 EDADMP CN1CCN(C(=O)NCCCCCCC[NH+](C)C)CC[N@@H+](C)CC1 ZINC000892341056 590970084 /nfs/dbraw/zinc/97/00/84/590970084.db2.gz QPKLIZXXJXCGJJ-UHFFFAOYSA-N 2 1 341.544 1.387 20 0 EDADMP [NH3+]CCN(CCO)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000892350781 590978931 /nfs/dbraw/zinc/97/89/31/590978931.db2.gz AGRJHIJWIOXSHY-SFHVURJKSA-N 2 1 348.491 1.394 20 0 EDADMP [NH3+][C@H](CCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)Cc1ccccc1 ZINC000892407751 591014997 /nfs/dbraw/zinc/01/49/97/591014997.db2.gz DQYPYVQCVHSTME-MSOLQXFVSA-N 2 1 348.491 1.093 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892440477 591029541 /nfs/dbraw/zinc/02/95/41/591029541.db2.gz BZYGPCOLEUUBSL-WKILWMFISA-N 2 1 340.512 1.504 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892491400 591048086 /nfs/dbraw/zinc/04/80/86/591048086.db2.gz JLZSPMXXJIATNQ-CVEARBPZSA-N 2 1 339.528 1.090 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[NH2+]C[C@@H]1c1cccc(OC)c1)C1CC1 ZINC000891482479 591087467 /nfs/dbraw/zinc/08/74/67/591087467.db2.gz LHUBXPPKOOAAAC-GOSISDBHSA-N 2 1 346.475 1.835 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000891535534 591111804 /nfs/dbraw/zinc/11/18/04/591111804.db2.gz UFTZPJIVZVGLLK-SJLPKXTDSA-N 2 1 332.492 1.943 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000891538412 591113194 /nfs/dbraw/zinc/11/31/94/591113194.db2.gz XXDZKCWNVZWWCH-CABCVRRESA-N 2 1 326.485 1.175 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCOCC1 ZINC000891584127 591135247 /nfs/dbraw/zinc/13/52/47/591135247.db2.gz QHOYXBKRDAQSOO-GJZGRUSLSA-N 2 1 326.485 1.032 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776057 591171488 /nfs/dbraw/zinc/17/14/88/591171488.db2.gz LXWCNLHDVPIKFU-HOTGVXAUSA-N 2 1 338.496 1.128 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000891753106 591211719 /nfs/dbraw/zinc/21/17/19/591211719.db2.gz RVGNQVVJMLXNHW-SJORKVTESA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCC[C@H]1C)N1CC[NH+](C)CC1 ZINC000891753106 591211722 /nfs/dbraw/zinc/21/17/22/591211722.db2.gz RVGNQVVJMLXNHW-SJORKVTESA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCC[C@H]1C)N1CC[NH+](C)CC1 ZINC000891753106 591211726 /nfs/dbraw/zinc/21/17/26/591211726.db2.gz RVGNQVVJMLXNHW-SJORKVTESA-N 2 1 339.528 1.042 20 0 EDADMP Cn1cnc(CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000893001965 591251842 /nfs/dbraw/zinc/25/18/42/591251842.db2.gz QYGBCHDQFHVNLH-KRWDZBQOSA-N 2 1 327.432 1.884 20 0 EDADMP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cs1 ZINC000894262361 591254537 /nfs/dbraw/zinc/25/45/37/591254537.db2.gz ZPXXDRLQJOYOOT-AWEZNQCLSA-N 2 1 326.462 1.861 20 0 EDADMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc4c3OCC4)CC2)CC1 ZINC000894451309 591315755 /nfs/dbraw/zinc/31/57/55/591315755.db2.gz JNDGRINVMZNUHM-UHFFFAOYSA-N 2 1 343.471 1.608 20 0 EDADMP CN1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CC[N@@H+](C)CC1 ZINC000896202065 591382655 /nfs/dbraw/zinc/38/26/55/591382655.db2.gz DQTCRAXTBIHUGG-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH2+]C(C)C)c2ccc(OC)cc2)C1 ZINC000896259426 591400968 /nfs/dbraw/zinc/40/09/68/591400968.db2.gz VJAAFFHXSNWDIS-SJLPKXTDSA-N 2 1 349.475 1.571 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCSC1 ZINC000898634088 591454885 /nfs/dbraw/zinc/45/48/85/591454885.db2.gz GVNXMSGJOOJWOW-MRXNPFEDSA-N 2 1 341.521 1.183 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896536061 591501146 /nfs/dbraw/zinc/50/11/46/591501146.db2.gz USBCWQOMXGCLQN-OQIJWPOYSA-N 2 1 344.503 1.430 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896536061 591501147 /nfs/dbraw/zinc/50/11/47/591501147.db2.gz USBCWQOMXGCLQN-OQIJWPOYSA-N 2 1 344.503 1.430 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@@H]1CN(C)CCN1C ZINC000896536061 591501149 /nfs/dbraw/zinc/50/11/49/591501149.db2.gz USBCWQOMXGCLQN-OQIJWPOYSA-N 2 1 344.503 1.430 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@@H]1CN(C)CCN1C ZINC000896536061 591501151 /nfs/dbraw/zinc/50/11/51/591501151.db2.gz USBCWQOMXGCLQN-OQIJWPOYSA-N 2 1 344.503 1.430 20 0 EDADMP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896539364 591502744 /nfs/dbraw/zinc/50/27/44/591502744.db2.gz NGYOBAHJJIUYSF-CRAIPNDOSA-N 2 1 332.492 1.155 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1C[NH+](C)CCN1C ZINC000896556731 591521790 /nfs/dbraw/zinc/52/17/90/591521790.db2.gz QJIVDPYZRBLYNE-XYJFISCASA-N 2 1 336.524 1.392 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1C[N@H+](C)CCN1C ZINC000896556731 591521794 /nfs/dbraw/zinc/52/17/94/591521794.db2.gz QJIVDPYZRBLYNE-XYJFISCASA-N 2 1 336.524 1.392 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CN(C)CCN1C ZINC000896556731 591521804 /nfs/dbraw/zinc/52/18/04/591521804.db2.gz QJIVDPYZRBLYNE-XYJFISCASA-N 2 1 336.524 1.392 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C12CCC2 ZINC000898828064 591550650 /nfs/dbraw/zinc/55/06/50/591550650.db2.gz BCUNJVPPTXLART-CVEARBPZSA-N 2 1 332.448 1.873 20 0 EDADMP COC(=O)[C@H]1[C@H](C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1(F)F ZINC000895083892 591574723 /nfs/dbraw/zinc/57/47/23/591574723.db2.gz CJVYBYBWNPQBCK-FXUDXRNXSA-N 2 1 338.398 1.976 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)[C@@H]1c1ccccc1 ZINC000896932779 591688276 /nfs/dbraw/zinc/68/82/76/591688276.db2.gz IYPJTCZBNYTZKX-OALUTQOASA-N 2 1 345.487 1.642 20 0 EDADMP C[N@@H+](CCCCNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO)C1CC1 ZINC000895282025 591699407 /nfs/dbraw/zinc/69/94/07/591699407.db2.gz MHBCKIAQSNAFNC-DLBZAZTESA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C1CC1 ZINC000895282025 591699412 /nfs/dbraw/zinc/69/94/12/591699412.db2.gz MHBCKIAQSNAFNC-DLBZAZTESA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C1CC1 ZINC000895282025 591699415 /nfs/dbraw/zinc/69/94/15/591699415.db2.gz MHBCKIAQSNAFNC-DLBZAZTESA-N 2 1 338.496 1.101 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@@H]1c1ccccc1 ZINC000897240681 591783007 /nfs/dbraw/zinc/78/30/07/591783007.db2.gz NPZWDUBDZLECCY-SQNIBIBYSA-N 2 1 329.444 1.269 20 0 EDADMP COC(=O)[C@@H](CC1CCOCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000895593011 591818348 /nfs/dbraw/zinc/81/83/48/591818348.db2.gz POCNJQAXABDPDC-GOSISDBHSA-N 2 1 347.459 1.998 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897316067 591836177 /nfs/dbraw/zinc/83/61/77/591836177.db2.gz RFFSJLXJGHGUQA-MRXNPFEDSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000866932028 591843148 /nfs/dbraw/zinc/84/31/48/591843148.db2.gz ITOLKMSUPJWIIV-UHFFFAOYSA-N 2 1 343.537 1.797 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)CC[N@@H+]1C ZINC000898282335 591851975 /nfs/dbraw/zinc/85/19/75/591851975.db2.gz AVCSEPTXZPMENS-UKRRQHHQSA-N 2 1 325.478 1.655 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)CC[N@H+]1C ZINC000898282335 591851978 /nfs/dbraw/zinc/85/19/78/591851978.db2.gz AVCSEPTXZPMENS-UKRRQHHQSA-N 2 1 325.478 1.655 20 0 EDADMP C[N@@H+](CCCNC(=O)C[C@@]1(O)CCC[NH+](C)C1)Cc1ccccc1 ZINC000900015750 591868381 /nfs/dbraw/zinc/86/83/81/591868381.db2.gz ZASITFGMZPZJSC-IBGZPJMESA-N 2 1 333.476 1.472 20 0 EDADMP C[NH+](CCCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)Cc1ccccc1 ZINC000900015750 591868384 /nfs/dbraw/zinc/86/83/84/591868384.db2.gz ZASITFGMZPZJSC-IBGZPJMESA-N 2 1 333.476 1.472 20 0 EDADMP C[NH+](CCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000900015750 591868387 /nfs/dbraw/zinc/86/83/87/591868387.db2.gz ZASITFGMZPZJSC-IBGZPJMESA-N 2 1 333.476 1.472 20 0 EDADMP C[N@@H+](CCCNC(=O)C[C@@]1(O)CCC[NH+](C)C1)C1CCCCC1 ZINC000900106125 591909386 /nfs/dbraw/zinc/90/93/86/591909386.db2.gz CSYBWHPDSNLDQU-SFHVURJKSA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+](CCCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)C1CCCCC1 ZINC000900106125 591909388 /nfs/dbraw/zinc/90/93/88/591909388.db2.gz CSYBWHPDSNLDQU-SFHVURJKSA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+](CCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)C1CCCCC1 ZINC000900106125 591909391 /nfs/dbraw/zinc/90/93/91/591909391.db2.gz CSYBWHPDSNLDQU-SFHVURJKSA-N 2 1 325.497 1.604 20 0 EDADMP CCN(CC)c1ccc(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cn1 ZINC000900229116 591956669 /nfs/dbraw/zinc/95/66/69/591956669.db2.gz JLWYGFJXHIMIMR-SFHVURJKSA-N 2 1 334.464 1.391 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900283160 591970643 /nfs/dbraw/zinc/97/06/43/591970643.db2.gz PXGQRTLGCOMKMH-SFHVURJKSA-N 2 1 327.513 1.660 20 0 EDADMP C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1([NH3+])CC1 ZINC000902347234 591977760 /nfs/dbraw/zinc/97/77/60/591977760.db2.gz HPIPPNXSBMEUGV-YOEHRIQHSA-N 2 1 330.476 1.353 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1([NH3+])CC1 ZINC000902347234 591977763 /nfs/dbraw/zinc/97/77/63/591977763.db2.gz HPIPPNXSBMEUGV-YOEHRIQHSA-N 3 1 330.476 1.353 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1([NH3+])CC1 ZINC000902347234 591977764 /nfs/dbraw/zinc/97/77/64/591977764.db2.gz HPIPPNXSBMEUGV-YOEHRIQHSA-N 3 1 330.476 1.353 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1(N)CC1 ZINC000902347234 591977765 /nfs/dbraw/zinc/97/77/65/591977765.db2.gz HPIPPNXSBMEUGV-YOEHRIQHSA-N 2 1 330.476 1.353 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1(N)CC1 ZINC000902347234 591977766 /nfs/dbraw/zinc/97/77/66/591977766.db2.gz HPIPPNXSBMEUGV-YOEHRIQHSA-N 2 1 330.476 1.353 20 0 EDADMP CC1(C)C[NH2+]CC[C@H](NC[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000902363863 591986839 /nfs/dbraw/zinc/98/68/39/591986839.db2.gz NZQXYKFSFDUQOA-OALUTQOASA-N 2 1 331.504 1.773 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000902363863 591986841 /nfs/dbraw/zinc/98/68/41/591986841.db2.gz NZQXYKFSFDUQOA-OALUTQOASA-N 2 1 331.504 1.773 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000900351297 591992833 /nfs/dbraw/zinc/99/28/33/591992833.db2.gz YNCGXPCEJBBXMY-IEBWSBKVSA-N 2 1 331.460 1.719 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000900351297 591992836 /nfs/dbraw/zinc/99/28/36/591992836.db2.gz YNCGXPCEJBBXMY-IEBWSBKVSA-N 2 1 331.460 1.719 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000900407140 592010269 /nfs/dbraw/zinc/01/02/69/592010269.db2.gz PIYOXVHYHOHLSK-LJQANCHMSA-N 2 1 337.508 1.558 20 0 EDADMP C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1c[nH+]ccc1N ZINC000902520891 592010480 /nfs/dbraw/zinc/01/04/80/592010480.db2.gz PVUZHRWFAMWJDZ-ZJUUUORDSA-N 2 1 334.811 1.573 20 0 EDADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C[C@]2(O)CCC[N@@H+](C)C2)o1 ZINC000900418703 592013813 /nfs/dbraw/zinc/01/38/13/592013813.db2.gz RDUKQPUQIIEHOZ-GOSISDBHSA-N 2 1 337.464 1.325 20 0 EDADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000902927523 592085437 /nfs/dbraw/zinc/08/54/37/592085437.db2.gz HZZIFTSVOATSOJ-CRAIPNDOSA-N 2 1 345.491 1.961 20 0 EDADMP Cc1cc(N2CCC([NH2+][C@@H]3CCO[C@]34CCOC4)CC2)nc(C)[nH+]1 ZINC000903107352 592120730 /nfs/dbraw/zinc/12/07/30/592120730.db2.gz RTYWZIRAZXXMOU-AEFFLSMTSA-N 2 1 332.448 1.600 20 0 EDADMP O=C1COc2ccccc2CN1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903181854 592131923 /nfs/dbraw/zinc/13/19/23/592131923.db2.gz WRAVRGGVMWVDED-IAGOWNOFSA-N 2 1 329.444 1.624 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000900905253 592167295 /nfs/dbraw/zinc/16/72/95/592167295.db2.gz ZGZAULWBJWZAAD-UHFFFAOYSA-N 2 1 333.480 1.535 20 0 EDADMP FC(F)(F)[C@H]1CC[C@H](C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)O1 ZINC000903460134 592171511 /nfs/dbraw/zinc/17/15/11/592171511.db2.gz XVZOHTIVNNQBFQ-YIYPIFLZSA-N 2 1 334.382 1.797 20 0 EDADMP COCCN(C(C)=O)c1nc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cs1 ZINC000903498766 592178908 /nfs/dbraw/zinc/17/89/08/592178908.db2.gz DILXFAOOUVOSAC-TZMCWYRMSA-N 2 1 340.493 1.559 20 0 EDADMP COCCN(C(C)=O)c1nc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cs1 ZINC000903498766 592178911 /nfs/dbraw/zinc/17/89/11/592178911.db2.gz DILXFAOOUVOSAC-TZMCWYRMSA-N 2 1 340.493 1.559 20 0 EDADMP CCOC(=O)CN(C(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccccc1 ZINC000903500204 592180111 /nfs/dbraw/zinc/18/01/11/592180111.db2.gz VUNVYZSDGOWFDS-HZPDHXFCSA-N 2 1 347.459 1.499 20 0 EDADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900978661 592184799 /nfs/dbraw/zinc/18/47/99/592184799.db2.gz KERSYTFRMKZVAC-FUHWJXTLSA-N 2 1 325.497 1.316 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903496648 592187801 /nfs/dbraw/zinc/18/78/01/592187801.db2.gz WVAJXJBVSCKRQL-UMVBOHGHSA-N 2 1 332.448 1.290 20 0 EDADMP CC1CCC(NC(=O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC000903511708 592191058 /nfs/dbraw/zinc/19/10/58/592191058.db2.gz WNEHOFCHZNVJAH-JVPGXQPFSA-N 2 1 348.535 1.582 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[C@]2(O)CCC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC000901025814 592203219 /nfs/dbraw/zinc/20/32/19/592203219.db2.gz KWTNKUQTZFPYTB-IMFGXOCKSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000901025814 592203221 /nfs/dbraw/zinc/20/32/21/592203221.db2.gz KWTNKUQTZFPYTB-IMFGXOCKSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000901025814 592203223 /nfs/dbraw/zinc/20/32/23/592203223.db2.gz KWTNKUQTZFPYTB-IMFGXOCKSA-N 2 1 345.487 1.612 20 0 EDADMP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1 ZINC000904334277 592233644 /nfs/dbraw/zinc/23/36/44/592233644.db2.gz QXYNVPQOTDUQSR-XBXGTLAGSA-N 2 1 343.880 1.384 20 0 EDADMP CN(C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000906665226 592246794 /nfs/dbraw/zinc/24/67/94/592246794.db2.gz SMZCCKMWVNCAGV-MRXNPFEDSA-N 2 1 344.459 1.514 20 0 EDADMP CCn1nc(C2CC2)cc1C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000906677187 592258135 /nfs/dbraw/zinc/25/81/35/592258135.db2.gz KKOKATFPMUFCRF-UHFFFAOYSA-N 2 1 347.507 1.878 20 0 EDADMP CCn1nc(C2CC2)cc1C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000906677187 592258141 /nfs/dbraw/zinc/25/81/41/592258141.db2.gz KKOKATFPMUFCRF-UHFFFAOYSA-N 2 1 347.507 1.878 20 0 EDADMP COC(=O)c1cc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)c[nH]1 ZINC000904451295 592263991 /nfs/dbraw/zinc/26/39/91/592263991.db2.gz BZAAYEZBLKDZNK-AWEZNQCLSA-N 2 1 330.388 1.227 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903721903 592282426 /nfs/dbraw/zinc/28/24/26/592282426.db2.gz GACSXBMPGFIQGV-ZMMAXQRCSA-N 2 1 337.508 1.772 20 0 EDADMP NC(=O)c1ccc(C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)cc1 ZINC000903725442 592285281 /nfs/dbraw/zinc/28/52/81/592285281.db2.gz ZQNGFPKBBZMGRV-SFHVURJKSA-N 2 1 343.471 1.909 20 0 EDADMP CCN1C[C@H](C[N@@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)Oc2ccccc21 ZINC000903731966 592288087 /nfs/dbraw/zinc/28/80/87/592288087.db2.gz BKQALJSWPZHXSS-FUHIMQAGSA-N 2 1 345.487 1.974 20 0 EDADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCCN(c2cccnn2)C1 ZINC000903740021 592302115 /nfs/dbraw/zinc/30/21/15/592302115.db2.gz RTFAIENABCZDGL-SJORKVTESA-N 2 1 345.491 1.536 20 0 EDADMP Cn1nccc1[C@H]1[C@H]([NH2+]C[C@@H]2CCCC[NH2+]C2)CC(=O)N1C1CC1 ZINC000903760443 592306672 /nfs/dbraw/zinc/30/66/72/592306672.db2.gz WOXYUVDJRSFOPS-DDUZABMNSA-N 2 1 331.464 1.204 20 0 EDADMP COC(=O)CC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCOCC1 ZINC000903755824 592313550 /nfs/dbraw/zinc/31/35/50/592313550.db2.gz MDDQCJRRYQQKHN-INIZCTEOSA-N 2 1 340.464 1.189 20 0 EDADMP C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)[C@@H]2C1 ZINC000908096749 592314093 /nfs/dbraw/zinc/31/40/93/592314093.db2.gz LUUYXMGEPURLJH-IAGOWNOFSA-N 2 1 342.443 1.836 20 0 EDADMP C[N@H+]1CCCC12CCN(C(=O)C1CCC([NH+]3CCOCC3)CC1)CC2 ZINC000901305618 592322673 /nfs/dbraw/zinc/32/26/73/592322673.db2.gz RZHMPZYXAMUCMH-UHFFFAOYSA-N 2 1 349.519 1.964 20 0 EDADMP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000901291173 592327618 /nfs/dbraw/zinc/32/76/18/592327618.db2.gz HABKKHLRMFVFQC-PKOBYXMFSA-N 2 1 331.460 1.719 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000901291173 592327623 /nfs/dbraw/zinc/32/76/23/592327623.db2.gz HABKKHLRMFVFQC-PKOBYXMFSA-N 2 1 331.460 1.719 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000903889844 592351214 /nfs/dbraw/zinc/35/12/14/592351214.db2.gz WISJOKGFJFKZNY-HOTGVXAUSA-N 2 1 341.463 1.532 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000903889844 592351217 /nfs/dbraw/zinc/35/12/17/592351217.db2.gz WISJOKGFJFKZNY-HOTGVXAUSA-N 2 1 341.463 1.532 20 0 EDADMP COc1ccc(C[N@@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1OC ZINC000903877274 592357747 /nfs/dbraw/zinc/35/77/47/592357747.db2.gz LROWXRIZCJXHMT-INIZCTEOSA-N 2 1 346.475 1.995 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cnn1C ZINC000903896713 592367615 /nfs/dbraw/zinc/36/76/15/592367615.db2.gz DOBZRFOLSQSZBH-DOMZBBRYSA-N 2 1 348.413 1.481 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903909598 592374797 /nfs/dbraw/zinc/37/47/97/592374797.db2.gz GGTPNDUQHSLZOL-DLBZAZTESA-N 2 1 332.496 1.366 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@@H](c2ccccc2)N(C)C)cnn1C ZINC000903925283 592380022 /nfs/dbraw/zinc/38/00/22/592380022.db2.gz DHTWVPQJUYANAN-APWZRJJASA-N 2 1 329.492 1.738 20 0 EDADMP C[NH+](C)C[C@@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000908203441 592380409 /nfs/dbraw/zinc/38/04/09/592380409.db2.gz DBHGQNDSULAVHK-AEFFLSMTSA-N 2 1 337.439 1.391 20 0 EDADMP C[N@H+]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000903928151 592381457 /nfs/dbraw/zinc/38/14/57/592381457.db2.gz WJJGYDDBXNOHGD-MRXNPFEDSA-N 2 1 326.448 1.655 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H]1CCOc3ccccc31)C2 ZINC000903978759 592400168 /nfs/dbraw/zinc/40/01/68/592400168.db2.gz LQQAGTQBUQURNS-GJRWTSMGSA-N 2 1 330.428 1.765 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc3c(c1)OCCO3)C2 ZINC000903979134 592400324 /nfs/dbraw/zinc/40/03/24/592400324.db2.gz WKDWTHGNCKMSGC-IYOUNJFTSA-N 2 1 332.400 1.170 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)CC2(CO)CCCC2)CCCO1 ZINC000905232329 592459187 /nfs/dbraw/zinc/45/91/87/592459187.db2.gz NKDDBDWUEWVKON-DLBZAZTESA-N 2 1 328.497 1.381 20 0 EDADMP C[C@]1(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CCC[NH2+]C1 ZINC000904318299 592476343 /nfs/dbraw/zinc/47/63/43/592476343.db2.gz ODWAQMAAIPNFRO-QUCCMNQESA-N 2 1 347.503 1.434 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905334838 592508776 /nfs/dbraw/zinc/50/87/76/592508776.db2.gz DCRSTMSPDDAEBH-HNNXBMFYSA-N 2 1 345.553 1.806 20 0 EDADMP OCC1(C[C@@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000905379757 592519834 /nfs/dbraw/zinc/51/98/34/592519834.db2.gz GODIVPARUHCRHG-IAGOWNOFSA-N 2 1 326.481 1.133 20 0 EDADMP O=C1C[C@@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1CC1CC1 ZINC000905449854 592529426 /nfs/dbraw/zinc/52/94/26/592529426.db2.gz GWOUHXKYZVABRV-UYAOXDASSA-N 2 1 343.471 1.224 20 0 EDADMP O=C1C[C@@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CN1CC1CC1 ZINC000905449854 592529428 /nfs/dbraw/zinc/52/94/28/592529428.db2.gz GWOUHXKYZVABRV-UYAOXDASSA-N 2 1 343.471 1.224 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)Cc1ccccc1)C2 ZINC000905504869 592546805 /nfs/dbraw/zinc/54/68/05/592546805.db2.gz ZMEVAMMKEDYPQF-LTFPLMDUSA-N 2 1 332.488 1.659 20 0 EDADMP CC1([NH+]2CCC2)CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000905547959 592571316 /nfs/dbraw/zinc/57/13/16/592571316.db2.gz OJDDREIZKZKMSR-UHFFFAOYSA-N 2 1 340.537 1.143 20 0 EDADMP CCN1CCC[C@@H]([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)C1=O ZINC000905553815 592574504 /nfs/dbraw/zinc/57/45/04/592574504.db2.gz VSRNQFRAOQTIDO-MJGOQNOKSA-N 2 1 331.460 1.224 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C1CC1 ZINC000905691677 592606268 /nfs/dbraw/zinc/60/62/68/592606268.db2.gz WXXDKHXSDWCBND-QXSJWSMHSA-N 2 1 339.480 1.572 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C1CC1 ZINC000905691677 592606270 /nfs/dbraw/zinc/60/62/70/592606270.db2.gz WXXDKHXSDWCBND-QXSJWSMHSA-N 2 1 339.480 1.572 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CCC1 ZINC000908936195 592672110 /nfs/dbraw/zinc/67/21/10/592672110.db2.gz KPMKRZCNXWZIDP-MJGOQNOKSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CCC1 ZINC000908936195 592672112 /nfs/dbraw/zinc/67/21/12/592672112.db2.gz KPMKRZCNXWZIDP-MJGOQNOKSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CCC1 ZINC000908936195 592672115 /nfs/dbraw/zinc/67/21/15/592672115.db2.gz KPMKRZCNXWZIDP-MJGOQNOKSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)CCC2(O)CCC2)CC1 ZINC000905931277 592687479 /nfs/dbraw/zinc/68/74/79/592687479.db2.gz KSCNGJDBZQBGRC-DOTOQJQBSA-N 2 1 328.497 1.067 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC[S@@](=O)C(F)(F)F)CC1 ZINC000905932698 592687676 /nfs/dbraw/zinc/68/76/76/592687676.db2.gz NXKJIQDBEUGERS-WSVYEEACSA-N 2 1 330.416 1.280 20 0 EDADMP O[C@@H](CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000909047964 592720333 /nfs/dbraw/zinc/72/03/33/592720333.db2.gz QAEDFBIEURDEJK-LJQANCHMSA-N 2 1 335.467 1.790 20 0 EDADMP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000907602963 592728869 /nfs/dbraw/zinc/72/88/69/592728869.db2.gz GTXMGGKMYGYFNP-HNNXBMFYSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000907602963 592728872 /nfs/dbraw/zinc/72/88/72/592728872.db2.gz GTXMGGKMYGYFNP-HNNXBMFYSA-N 2 1 325.497 1.555 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000906220209 592761076 /nfs/dbraw/zinc/76/10/76/592761076.db2.gz YZRBIUNTZULEDZ-GOSISDBHSA-N 2 1 337.508 1.679 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc3[nH]ccc3n2)CC1 ZINC000906384510 592814371 /nfs/dbraw/zinc/81/43/71/592814371.db2.gz JPQQOZKURZRMRJ-UHFFFAOYSA-N 2 1 336.399 1.962 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000907862342 592819527 /nfs/dbraw/zinc/81/95/27/592819527.db2.gz RAMRLMVDZQWPEL-QUCCMNQESA-N 2 1 345.487 1.472 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000906582062 592857803 /nfs/dbraw/zinc/85/78/03/592857803.db2.gz MQBWGUMNYSVVNX-KRWDZBQOSA-N 2 1 337.508 1.870 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC000888378935 593039093 /nfs/dbraw/zinc/03/90/93/593039093.db2.gz FRNBMIVBERWFEY-CQSZACIVSA-N 2 1 332.448 1.977 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)CC[N@H+]1C ZINC000866981958 593133528 /nfs/dbraw/zinc/13/35/28/593133528.db2.gz PJOHMKNQFQOLRU-JKHFOPOESA-N 2 1 348.535 1.486 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC[NH+]1C ZINC000866981958 593133529 /nfs/dbraw/zinc/13/35/29/593133529.db2.gz PJOHMKNQFQOLRU-JKHFOPOESA-N 2 1 348.535 1.486 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC[NH+]1C ZINC000866981958 593133530 /nfs/dbraw/zinc/13/35/30/593133530.db2.gz PJOHMKNQFQOLRU-JKHFOPOESA-N 2 1 348.535 1.486 20 0 EDADMP Cc1cc(-n2c(C)cn(C[N@H+](C)CC3CC[NH+](C)CC3)c2=O)no1 ZINC000103461874 593303082 /nfs/dbraw/zinc/30/30/82/593303082.db2.gz CHWQGPDCUJBELK-UHFFFAOYSA-N 2 1 333.436 1.475 20 0 EDADMP Cc1cc(-n2c(C)cn(C[N@@H+](C)CC3CC[NH+](C)CC3)c2=O)no1 ZINC000103461874 593303084 /nfs/dbraw/zinc/30/30/84/593303084.db2.gz CHWQGPDCUJBELK-UHFFFAOYSA-N 2 1 333.436 1.475 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000758326395 593400959 /nfs/dbraw/zinc/40/09/59/593400959.db2.gz ZQVBBZVHGGBIHY-AEFFLSMTSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000758326395 593400960 /nfs/dbraw/zinc/40/09/60/593400960.db2.gz ZQVBBZVHGGBIHY-AEFFLSMTSA-N 2 1 331.460 1.488 20 0 EDADMP Cc1cc(C)cc([C@H](O)C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000819043683 593735430 /nfs/dbraw/zinc/73/54/30/593735430.db2.gz UAPZTMDSZFSTGN-LJQANCHMSA-N 2 1 347.503 1.869 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000819060372 593736521 /nfs/dbraw/zinc/73/65/21/593736521.db2.gz HMVPRROIGNWXKY-OALUTQOASA-N 2 1 348.487 1.968 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccc(F)cc1 ZINC000819062825 593736873 /nfs/dbraw/zinc/73/68/73/593736873.db2.gz UUBICRWRWKJWBP-MOPGFXCFSA-N 2 1 336.451 1.962 20 0 EDADMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000819363444 593751859 /nfs/dbraw/zinc/75/18/59/593751859.db2.gz WDHDFASGPSUEDN-KRWDZBQOSA-N 2 1 340.489 1.588 20 0 EDADMP C[NH+](C)CCOc1ccc(CCC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000820273662 593805310 /nfs/dbraw/zinc/80/53/10/593805310.db2.gz YZORUHYHGDJJQY-IEBWSBKVSA-N 2 1 345.487 1.722 20 0 EDADMP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673345 593830206 /nfs/dbraw/zinc/83/02/06/593830206.db2.gz LDUXENFZMMCSOY-PBHICJAKSA-N 2 1 342.447 1.318 20 0 EDADMP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673345 593830208 /nfs/dbraw/zinc/83/02/08/593830208.db2.gz LDUXENFZMMCSOY-PBHICJAKSA-N 2 1 342.447 1.318 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000824200069 593954400 /nfs/dbraw/zinc/95/44/00/593954400.db2.gz AUAHTQGJYCECOD-RBUKOAKNSA-N 2 1 343.471 1.584 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000821070965 593958520 /nfs/dbraw/zinc/95/85/20/593958520.db2.gz RFUNFNLHVYVYHA-QZTJIDSGSA-N 2 1 331.460 1.081 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000821070965 593958522 /nfs/dbraw/zinc/95/85/22/593958522.db2.gz RFUNFNLHVYVYHA-QZTJIDSGSA-N 2 1 331.460 1.081 20 0 EDADMP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821110331 593968091 /nfs/dbraw/zinc/96/80/91/593968091.db2.gz ZWUCNXVNDZQCEY-QGZVFWFLSA-N 2 1 344.463 1.706 20 0 EDADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821110331 593968093 /nfs/dbraw/zinc/96/80/93/593968093.db2.gz ZWUCNXVNDZQCEY-QGZVFWFLSA-N 2 1 344.463 1.706 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189648 593986106 /nfs/dbraw/zinc/98/61/06/593986106.db2.gz RCEZLSXKSMTUAU-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189648 593986108 /nfs/dbraw/zinc/98/61/08/593986108.db2.gz RCEZLSXKSMTUAU-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP NC(=O)[C@@H]1CCCN1C1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822774099 594098477 /nfs/dbraw/zinc/09/84/77/594098477.db2.gz AERVVBCFTATLBJ-AAEUAGOBSA-N 2 1 334.291 1.984 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000822897172 594118700 /nfs/dbraw/zinc/11/87/00/594118700.db2.gz BPWLATFKUIFAES-SFHVURJKSA-N 2 1 339.524 1.801 20 0 EDADMP C[C@@H](C[NH3+])c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000822925637 594122808 /nfs/dbraw/zinc/12/28/08/594122808.db2.gz GKHIFUGOXXDOPW-LBPRGKRZSA-N 2 1 329.404 1.186 20 0 EDADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC000826192901 594371259 /nfs/dbraw/zinc/37/12/59/594371259.db2.gz HJIZAXMVDJANLQ-UHFFFAOYSA-N 2 1 330.436 1.649 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)cc1 ZINC000826781066 594574391 /nfs/dbraw/zinc/57/43/91/594574391.db2.gz UHHINPSNUSDQTO-UHFFFAOYSA-N 2 1 329.444 1.997 20 0 EDADMP [NH3+][C@@H](CC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000826947107 594607740 /nfs/dbraw/zinc/60/77/40/594607740.db2.gz RWUIHJNPWGVEGV-IBGZPJMESA-N 2 1 344.503 1.438 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H]3[C@@H](CC[N@@H+]3C)C1)n2C ZINC000827287426 594658881 /nfs/dbraw/zinc/65/88/81/594658881.db2.gz KLXLBAGKWWUMCE-JSGCOSHPSA-N 2 1 342.447 1.201 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H]3[C@@H](CC[N@H+]3C)C1)n2C ZINC000827287426 594658882 /nfs/dbraw/zinc/65/88/82/594658882.db2.gz KLXLBAGKWWUMCE-JSGCOSHPSA-N 2 1 342.447 1.201 20 0 EDADMP C[C@@H](C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1)[NH+](C)C ZINC000831586734 594685739 /nfs/dbraw/zinc/68/57/39/594685739.db2.gz QBSHLCMWAOJMSN-INIZCTEOSA-N 2 1 333.476 1.734 20 0 EDADMP Cc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)c(N(C)C)n1 ZINC000836478722 594967772 /nfs/dbraw/zinc/96/77/72/594967772.db2.gz UMXNYWSOLRUFCH-AWEZNQCLSA-N 2 1 335.452 1.424 20 0 EDADMP CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000843348128 595082217 /nfs/dbraw/zinc/08/22/17/595082217.db2.gz YDOZXCWWLMOSQY-CYBMUJFWSA-N 2 1 329.400 1.922 20 0 EDADMP CC(=O)Nc1ccc2c(C[N@H+]3CCC[C@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000843348128 595082220 /nfs/dbraw/zinc/08/22/20/595082220.db2.gz YDOZXCWWLMOSQY-CYBMUJFWSA-N 2 1 329.400 1.922 20 0 EDADMP COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000843357231 595086633 /nfs/dbraw/zinc/08/66/33/595086633.db2.gz DGBLWOZVZLDIQU-KRWDZBQOSA-N 2 1 332.448 1.003 20 0 EDADMP COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000843357231 595086636 /nfs/dbraw/zinc/08/66/36/595086636.db2.gz DGBLWOZVZLDIQU-KRWDZBQOSA-N 2 1 332.448 1.003 20 0 EDADMP C[NH2+]C[C@@H](C)c1noc([C@H](c2ccccc2)N2CC[NH+](C)CC2)n1 ZINC000842580887 595132144 /nfs/dbraw/zinc/13/21/44/595132144.db2.gz BJVJLRLNFPRUSU-ZBFHGGJFSA-N 2 1 329.448 1.729 20 0 EDADMP CON(C)C(=O)CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000843095157 595286533 /nfs/dbraw/zinc/28/65/33/595286533.db2.gz NCTBBRGMPGQOEH-QGZVFWFLSA-N 2 1 335.448 1.143 20 0 EDADMP CCC(CC)[C@@H](C(=O)NCc1ccc(CC[NH3+])cc1)[NH+]1CCOCC1 ZINC000844165124 595288444 /nfs/dbraw/zinc/28/84/44/595288444.db2.gz PCNXHIWABMLNEB-IBGZPJMESA-N 2 1 347.503 1.941 20 0 EDADMP Cc1ccc(N2CCC(C(=O)NOC3CC[NH+](C)CC3)CC2)[nH+]c1 ZINC000846646879 595292242 /nfs/dbraw/zinc/29/22/42/595292242.db2.gz HRGRWVMQYRKFTG-UHFFFAOYSA-N 2 1 332.448 1.748 20 0 EDADMP C[C@H](O)c1ncc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])s1 ZINC000843122703 595292318 /nfs/dbraw/zinc/29/23/18/595292318.db2.gz SUZNUJWUYUFELM-RYUDHWBXSA-N 2 1 326.466 1.016 20 0 EDADMP C[C@H](O)c1ncc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])s1 ZINC000843122703 595292319 /nfs/dbraw/zinc/29/23/19/595292319.db2.gz SUZNUJWUYUFELM-RYUDHWBXSA-N 2 1 326.466 1.016 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000844175081 595292648 /nfs/dbraw/zinc/29/26/48/595292648.db2.gz FADAHGONWYCBSM-QGZVFWFLSA-N 2 1 344.459 1.530 20 0 EDADMP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844177414 595293642 /nfs/dbraw/zinc/29/36/42/595293642.db2.gz IQJQHUUCMWYBIR-RBUKOAKNSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@@H]1C[N@H+](CC2(Br)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000846841982 595325323 /nfs/dbraw/zinc/32/53/23/595325323.db2.gz QUURKBPXHLEBTK-KGLIPLIRSA-N 2 1 330.314 1.872 20 0 EDADMP C[C@@H]1C[N@@H+](CC2(Br)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000846841982 595325326 /nfs/dbraw/zinc/32/53/26/595325326.db2.gz QUURKBPXHLEBTK-KGLIPLIRSA-N 2 1 330.314 1.872 20 0 EDADMP CCN(CCOC)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844685858 595372811 /nfs/dbraw/zinc/37/28/11/595372811.db2.gz GCPBMNPBTVTWNZ-OALUTQOASA-N 2 1 345.487 1.893 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc2ccccc2n1 ZINC000849059983 595476791 /nfs/dbraw/zinc/47/67/91/595476791.db2.gz BGXYOYFGJPOEBN-UHFFFAOYSA-N 2 1 327.432 1.571 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000849072912 595478409 /nfs/dbraw/zinc/47/84/09/595478409.db2.gz QLUOXADZAIRGBY-INIZCTEOSA-N 2 1 343.475 1.699 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849552937 595563615 /nfs/dbraw/zinc/56/36/15/595563615.db2.gz PGMFMPHXCJMFJT-SQNIBIBYSA-N 2 1 347.507 1.254 20 0 EDADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849552937 595563617 /nfs/dbraw/zinc/56/36/17/595563617.db2.gz PGMFMPHXCJMFJT-SQNIBIBYSA-N 2 1 347.507 1.254 20 0 EDADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849552937 595563619 /nfs/dbraw/zinc/56/36/19/595563619.db2.gz PGMFMPHXCJMFJT-SQNIBIBYSA-N 2 1 347.507 1.254 20 0 EDADMP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849585339 595582768 /nfs/dbraw/zinc/58/27/68/595582768.db2.gz LBWABUTWWLYMRY-ROUUACIJSA-N 2 1 347.507 1.400 20 0 EDADMP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)=NO1 ZINC000852861742 595582921 /nfs/dbraw/zinc/58/29/21/595582921.db2.gz IIKAZBGLCZKIDS-CVEARBPZSA-N 2 1 330.432 1.118 20 0 EDADMP COc1cccc([C@H](O)C2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000860144190 595594584 /nfs/dbraw/zinc/59/45/84/595594584.db2.gz WANYKXPIRNECAV-AZUAARDMSA-N 2 1 348.487 1.897 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000852908449 595610155 /nfs/dbraw/zinc/61/01/55/595610155.db2.gz XQNYRKZZWZOJSB-RBUKOAKNSA-N 2 1 345.487 1.530 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCn4cncc43)CC2)CC1 ZINC000857979327 595674241 /nfs/dbraw/zinc/67/42/41/595674241.db2.gz WBRKKTGYZNRPGP-KRWDZBQOSA-N 2 1 345.491 1.640 20 0 EDADMP Cc1nc(Cl)ccc1CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346031 595680780 /nfs/dbraw/zinc/68/07/80/595680780.db2.gz MAGOKGKEZJPCFY-ZDUSSCGKSA-N 2 1 340.899 1.974 20 0 EDADMP Cc1nc(Cl)ccc1CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346031 595680782 /nfs/dbraw/zinc/68/07/82/595680782.db2.gz MAGOKGKEZJPCFY-ZDUSSCGKSA-N 2 1 340.899 1.974 20 0 EDADMP Cc1ccc(O[C@H]2CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)nc1 ZINC000858041022 595688510 /nfs/dbraw/zinc/68/85/10/595688510.db2.gz QLWFTSQWCDDESR-INIZCTEOSA-N 2 1 332.448 1.007 20 0 EDADMP Cc1ccc(O[C@H]2CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)nc1 ZINC000858041022 595688515 /nfs/dbraw/zinc/68/85/15/595688515.db2.gz QLWFTSQWCDDESR-INIZCTEOSA-N 2 1 332.448 1.007 20 0 EDADMP Cc1nc(N[C@@H]2CC[NH+](C3CC3)C2)nc(N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000853231669 595714027 /nfs/dbraw/zinc/71/40/27/595714027.db2.gz LEPGCIAIJYCSPL-OKILXGFUSA-N 2 1 343.479 1.477 20 0 EDADMP Cc1nc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N[C@H]2CC[NH+](C3CC3)C2)n1 ZINC000853231669 595714031 /nfs/dbraw/zinc/71/40/31/595714031.db2.gz LEPGCIAIJYCSPL-OKILXGFUSA-N 2 1 343.479 1.477 20 0 EDADMP Cc1nc(N[C@@H]2CC[N@H+](C3CC3)C2)nc(N[C@H]2CC[NH+](C3CC3)C2)n1 ZINC000853231669 595714035 /nfs/dbraw/zinc/71/40/35/595714035.db2.gz LEPGCIAIJYCSPL-OKILXGFUSA-N 2 1 343.479 1.477 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000850432483 595832759 /nfs/dbraw/zinc/83/27/59/595832759.db2.gz YJGASXJKBQGXHC-OAHLLOKOSA-N 2 1 331.460 1.826 20 0 EDADMP Brc1ncn(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000851727084 595899242 /nfs/dbraw/zinc/89/92/42/595899242.db2.gz AZBKFTFTBJBVBA-UHFFFAOYSA-N 2 1 342.285 1.848 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000856255017 595936560 /nfs/dbraw/zinc/93/65/60/595936560.db2.gz GUQMLGFPRGVDID-LJQANCHMSA-N 2 1 345.487 1.462 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3COC(C)(C)O3)CC2)CC1 ZINC000851842016 595944092 /nfs/dbraw/zinc/94/40/92/595944092.db2.gz OMQJUBVOMZFJOS-MRXNPFEDSA-N 2 1 339.480 1.014 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)[C@@H](C)C1 ZINC000866521275 596239561 /nfs/dbraw/zinc/23/95/61/596239561.db2.gz HFJWHGQRHQITNI-WMLDXEAASA-N 2 1 344.459 1.558 20 0 EDADMP CN1CC[NH+](C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)CC1 ZINC000866704801 596301290 /nfs/dbraw/zinc/30/12/90/596301290.db2.gz YANLGXZLPJRPDO-UHFFFAOYSA-N 2 1 328.504 1.544 20 0 EDADMP Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)C2=O)n1 ZINC000866707860 596301627 /nfs/dbraw/zinc/30/16/27/596301627.db2.gz PAQJEEGQIVOZRT-KSSFIOAISA-N 2 1 333.480 1.612 20 0 EDADMP Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)C2=O)n1 ZINC000866707860 596301631 /nfs/dbraw/zinc/30/16/31/596301631.db2.gz PAQJEEGQIVOZRT-KSSFIOAISA-N 2 1 333.480 1.612 20 0 EDADMP CC(C)(C)n1cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cn1 ZINC000866711320 596304793 /nfs/dbraw/zinc/30/47/93/596304793.db2.gz HXLNEYJFIWSMIP-ZNMIVQPWSA-N 2 1 333.436 1.005 20 0 EDADMP CC(C)(C)n1cc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cn1 ZINC000866711320 596304797 /nfs/dbraw/zinc/30/47/97/596304797.db2.gz HXLNEYJFIWSMIP-ZNMIVQPWSA-N 2 1 333.436 1.005 20 0 EDADMP CSc1ccccc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711252 596304806 /nfs/dbraw/zinc/30/48/06/596304806.db2.gz GIBSQPVKZKVCGG-ZNMIVQPWSA-N 2 1 333.457 1.775 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+]3CCOCC3)C2)cc1 ZINC000871188306 596493964 /nfs/dbraw/zinc/49/39/64/596493964.db2.gz NXLOGNJNHOLYDM-GOSISDBHSA-N 2 1 331.460 1.408 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+]3CCOCC3)C2)cc1 ZINC000871188306 596493967 /nfs/dbraw/zinc/49/39/67/596493967.db2.gz NXLOGNJNHOLYDM-GOSISDBHSA-N 2 1 331.460 1.408 20 0 EDADMP COCC[N@H+]1[C@H](C)CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000121767753 596509715 /nfs/dbraw/zinc/50/97/15/596509715.db2.gz IXTDDLCGDWYCJS-IYBDPMFKSA-N 2 1 333.476 1.929 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000121767753 596509717 /nfs/dbraw/zinc/50/97/17/596509717.db2.gz IXTDDLCGDWYCJS-IYBDPMFKSA-N 2 1 333.476 1.929 20 0 EDADMP C[NH+](C)C1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CCC1 ZINC000119359602 596523595 /nfs/dbraw/zinc/52/35/95/596523595.db2.gz BEABXYHGRJWXAD-INIZCTEOSA-N 2 1 344.459 1.559 20 0 EDADMP C[NH+](C)C1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CCC1 ZINC000119359602 596523596 /nfs/dbraw/zinc/52/35/96/596523596.db2.gz BEABXYHGRJWXAD-INIZCTEOSA-N 2 1 344.459 1.559 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2cc(CO)ccc2F)C1 ZINC000863465330 596591256 /nfs/dbraw/zinc/59/12/56/596591256.db2.gz BOEAPELUCDGUEI-HNNXBMFYSA-N 2 1 325.384 1.426 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cc(CO)ccc2F)C1 ZINC000863465330 596591258 /nfs/dbraw/zinc/59/12/58/596591258.db2.gz BOEAPELUCDGUEI-HNNXBMFYSA-N 2 1 325.384 1.426 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000863549191 596614450 /nfs/dbraw/zinc/61/44/50/596614450.db2.gz CGDQXSBDXOQPNZ-KGLIPLIRSA-N 2 1 336.823 1.492 20 0 EDADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H](O)c1c(F)cccc1F ZINC000863562163 596619819 /nfs/dbraw/zinc/61/98/19/596619819.db2.gz IPSJQHGCTMFSEB-ISTRZQFTSA-N 2 1 328.403 1.823 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000869762654 596621663 /nfs/dbraw/zinc/62/16/63/596621663.db2.gz JRNOWQRBMAXGIS-QGZVFWFLSA-N 2 1 348.491 1.571 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccccc1 ZINC000869778192 596630537 /nfs/dbraw/zinc/63/05/37/596630537.db2.gz AMLSBPHCOHRJEY-IRXDYDNUSA-N 2 1 333.476 1.641 20 0 EDADMP CN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000871600779 596649005 /nfs/dbraw/zinc/64/90/05/596649005.db2.gz DFDKJWBBIUBRAM-FRQCXROJSA-N 2 1 327.428 1.198 20 0 EDADMP CN1C(=O)C[C@@H]([N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000871600779 596649006 /nfs/dbraw/zinc/64/90/06/596649006.db2.gz DFDKJWBBIUBRAM-FRQCXROJSA-N 2 1 327.428 1.198 20 0 EDADMP CN1C(=O)C[C@@H]([NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000871600779 596649007 /nfs/dbraw/zinc/64/90/07/596649007.db2.gz DFDKJWBBIUBRAM-FRQCXROJSA-N 2 1 327.428 1.198 20 0 EDADMP CN1C(=O)C[C@@H]([NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000871600779 596649008 /nfs/dbraw/zinc/64/90/08/596649008.db2.gz DFDKJWBBIUBRAM-FRQCXROJSA-N 2 1 327.428 1.198 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CCC34CCOCC4)cn2)CC1 ZINC000865777298 596680314 /nfs/dbraw/zinc/68/03/14/596680314.db2.gz FKTWFHCNRPCRLG-QGZVFWFLSA-N 2 1 345.491 1.525 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868227392 596735320 /nfs/dbraw/zinc/73/53/20/596735320.db2.gz BDDXEIPFQFUAGB-DLBZAZTESA-N 2 1 344.459 1.240 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000864055470 596746234 /nfs/dbraw/zinc/74/62/34/596746234.db2.gz QEHVZJKMAAYKSB-JONQDZQNSA-N 2 1 340.512 1.562 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000864055470 596746238 /nfs/dbraw/zinc/74/62/38/596746238.db2.gz QEHVZJKMAAYKSB-JONQDZQNSA-N 2 1 340.512 1.562 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868282171 596763183 /nfs/dbraw/zinc/76/31/83/596763183.db2.gz UBQCENNSCGVXAZ-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)nc12 ZINC000868330993 596788990 /nfs/dbraw/zinc/78/89/90/596788990.db2.gz PMPWOQKPTJIZAS-RDJZCZTQSA-N 2 1 341.459 1.921 20 0 EDADMP C[C@]12C[N@H+](Cc3cccc4c3CC[NH2+]C4)C[C@@]1(C)CS(=O)(=O)C2 ZINC000872148517 596812087 /nfs/dbraw/zinc/81/20/87/596812087.db2.gz PUROJTZQEOJNLE-HDICACEKSA-N 2 1 334.485 1.589 20 0 EDADMP C[C@]12C[N@@H+](Cc3cccc4c3CC[NH2+]C4)C[C@@]1(C)CS(=O)(=O)C2 ZINC000872148517 596812089 /nfs/dbraw/zinc/81/20/89/596812089.db2.gz PUROJTZQEOJNLE-HDICACEKSA-N 2 1 334.485 1.589 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@@H](C(F)(F)F)O1 ZINC000872154845 596815745 /nfs/dbraw/zinc/81/57/45/596815745.db2.gz ZVYRVKSNAMSFHE-OEAJRASXSA-N 2 1 346.393 1.959 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@@H](C(F)(F)F)O1 ZINC000872154845 596815747 /nfs/dbraw/zinc/81/57/47/596815747.db2.gz ZVYRVKSNAMSFHE-OEAJRASXSA-N 2 1 346.393 1.959 20 0 EDADMP Cc1cccc(C[C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000866268213 596843182 /nfs/dbraw/zinc/84/31/82/596843182.db2.gz OYEWGCHTBCQWQL-QUCCMNQESA-N 2 1 331.504 1.922 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000872254771 596855597 /nfs/dbraw/zinc/85/55/97/596855597.db2.gz CYISDNMDEUUCQY-SAWDODRTSA-N 2 1 349.381 1.845 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000872254771 596855601 /nfs/dbraw/zinc/85/56/01/596855601.db2.gz CYISDNMDEUUCQY-SAWDODRTSA-N 2 1 349.381 1.845 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000872281995 596866723 /nfs/dbraw/zinc/86/67/23/596866723.db2.gz YVUMWFAADOSQCZ-TWMKSMIVSA-N 2 1 325.497 1.900 20 0 EDADMP Cc1nccnc1[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000875713008 596957479 /nfs/dbraw/zinc/95/74/79/596957479.db2.gz IMZIJZMRYQNYQE-DZGCQCFKSA-N 2 1 336.484 1.417 20 0 EDADMP Cc1nccnc1[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000875713008 596957480 /nfs/dbraw/zinc/95/74/80/596957480.db2.gz IMZIJZMRYQNYQE-DZGCQCFKSA-N 2 1 336.484 1.417 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1cc(-c2ccncn2)cn1 ZINC000872633802 597001549 /nfs/dbraw/zinc/00/15/49/597001549.db2.gz NKDAOTQEJBVOBW-UHFFFAOYSA-N 2 1 344.463 1.588 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccco1 ZINC000874432058 597075416 /nfs/dbraw/zinc/07/54/16/597075416.db2.gz UBOWVVWHXJDYBT-IRXDYDNUSA-N 2 1 342.443 1.896 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)C1 ZINC000876202372 597131927 /nfs/dbraw/zinc/13/19/27/597131927.db2.gz MWYDADFQAMTUSV-FUHWJXTLSA-N 2 1 338.496 1.149 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000876203267 597132858 /nfs/dbraw/zinc/13/28/58/597132858.db2.gz BEKAOHWKOMKCBD-FUHWJXTLSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000876203267 597132862 /nfs/dbraw/zinc/13/28/62/597132862.db2.gz BEKAOHWKOMKCBD-FUHWJXTLSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000876203267 597132865 /nfs/dbraw/zinc/13/28/65/597132865.db2.gz BEKAOHWKOMKCBD-FUHWJXTLSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000876203267 597132867 /nfs/dbraw/zinc/13/28/67/597132867.db2.gz BEKAOHWKOMKCBD-FUHWJXTLSA-N 2 1 346.475 1.319 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1 ZINC000873111461 597199282 /nfs/dbraw/zinc/19/92/82/597199282.db2.gz ABGFLMCUXQIKIO-MAZHCROVSA-N 2 1 330.432 1.340 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccccc1 ZINC000874988881 597233038 /nfs/dbraw/zinc/23/30/38/597233038.db2.gz GXSUJMWVEZFOPB-IRXDYDNUSA-N 2 1 348.491 1.434 20 0 EDADMP COc1ccc([C@@H](N[C@H]2CC[N@@H+](CC(C)(C)O)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000873235108 597234918 /nfs/dbraw/zinc/23/49/18/597234918.db2.gz JHOONSUBDXXTGS-QXAKKESOSA-N 2 1 347.503 1.923 20 0 EDADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000876720553 597303970 /nfs/dbraw/zinc/30/39/70/597303970.db2.gz KJBUUYFCBRAETF-YLDLQSEOSA-N 2 1 343.471 1.547 20 0 EDADMP COC[C@@]1(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CCCC[NH2+]1 ZINC000876721079 597305277 /nfs/dbraw/zinc/30/52/77/597305277.db2.gz QVKNWEHGBWVOPQ-GOSISDBHSA-N 2 1 343.431 1.351 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000876734951 597312947 /nfs/dbraw/zinc/31/29/47/597312947.db2.gz XEWAIZNAMMBQNF-CVEARBPZSA-N 2 1 333.480 1.576 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000876741297 597316489 /nfs/dbraw/zinc/31/64/89/597316489.db2.gz QENKBGHCRNLYLF-IRXDYDNUSA-N 2 1 347.507 1.966 20 0 EDADMP CC[N@@H+](CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)C(C)C ZINC000876750989 597321448 /nfs/dbraw/zinc/32/14/48/597321448.db2.gz ZLTKEKZCFSODKE-LLVKDONJSA-N 2 1 344.410 1.210 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H](N)c2cccc(Br)c2)C1 ZINC000876773456 597333770 /nfs/dbraw/zinc/33/37/70/597333770.db2.gz REZWHRRBBGRJHX-SMDDNHRTSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000876773456 597333775 /nfs/dbraw/zinc/33/37/75/597333775.db2.gz REZWHRRBBGRJHX-SMDDNHRTSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000876773456 597333778 /nfs/dbraw/zinc/33/37/78/597333778.db2.gz REZWHRRBBGRJHX-SMDDNHRTSA-N 2 1 340.265 1.907 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@]34CCC[C@H]3[NH2+]CC4)CC2)nc(C)[nH+]1 ZINC000876776138 597335159 /nfs/dbraw/zinc/33/51/59/597335159.db2.gz JURCVZDEEZAUKL-APWZRJJASA-N 2 1 343.475 1.711 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000875215338 597335832 /nfs/dbraw/zinc/33/58/32/597335832.db2.gz IHESGPZCDCGIOX-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000876839494 597354920 /nfs/dbraw/zinc/35/49/20/597354920.db2.gz XYAMBDTXZKBAHG-KCPJHIHWSA-N 2 1 325.815 1.761 20 0 EDADMP COC(=O)c1cccc2c(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)ccnc12 ZINC000876965271 597400396 /nfs/dbraw/zinc/40/03/96/597400396.db2.gz ATJZGIKWGDPEJN-OAHLLOKOSA-N 2 1 343.427 1.568 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000877004893 597409048 /nfs/dbraw/zinc/40/90/48/597409048.db2.gz VFHYHHUNYIUVDQ-AEFFLSMTSA-N 2 1 344.459 1.459 20 0 EDADMP CCOC(=O)N1CCC(C)(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000877022542 597414047 /nfs/dbraw/zinc/41/40/47/597414047.db2.gz NFPYEBHLYJIFKE-HZPDHXFCSA-N 2 1 339.480 1.698 20 0 EDADMP CCOC(=O)N1CCC(C)(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000877022542 597414050 /nfs/dbraw/zinc/41/40/50/597414050.db2.gz NFPYEBHLYJIFKE-HZPDHXFCSA-N 2 1 339.480 1.698 20 0 EDADMP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000877038211 597418650 /nfs/dbraw/zinc/41/86/50/597418650.db2.gz JZTPGKDOAHRVFZ-MSOLQXFVSA-N 2 1 343.471 1.393 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000877231986 597471493 /nfs/dbraw/zinc/47/14/93/597471493.db2.gz XOANWYGOFKMMAB-FUHWJXTLSA-N 2 1 335.423 1.014 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000877231986 597471497 /nfs/dbraw/zinc/47/14/97/597471497.db2.gz XOANWYGOFKMMAB-FUHWJXTLSA-N 2 1 335.423 1.014 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245483 597477105 /nfs/dbraw/zinc/47/71/05/597477105.db2.gz DFIUDHTWFXHKMF-XMTFNYHQSA-N 2 1 330.476 1.093 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245483 597477107 /nfs/dbraw/zinc/47/71/07/597477107.db2.gz DFIUDHTWFXHKMF-XMTFNYHQSA-N 2 1 330.476 1.093 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C2 ZINC000877374176 597503975 /nfs/dbraw/zinc/50/39/75/597503975.db2.gz AGXNBAOEFYHZSN-VDZJLULYSA-N 2 1 331.435 1.858 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)C2 ZINC000877374176 597503977 /nfs/dbraw/zinc/50/39/77/597503977.db2.gz AGXNBAOEFYHZSN-VDZJLULYSA-N 2 1 331.435 1.858 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@@H+]1C ZINC000877627282 597542598 /nfs/dbraw/zinc/54/25/98/597542598.db2.gz NIMOOXJBLVYKNT-QLFBSQMISA-N 2 1 339.480 1.837 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@H+]1C ZINC000877627282 597542599 /nfs/dbraw/zinc/54/25/99/597542599.db2.gz NIMOOXJBLVYKNT-QLFBSQMISA-N 2 1 339.480 1.837 20 0 EDADMP CN(C)C(=O)c1ccccc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877745908 597552590 /nfs/dbraw/zinc/55/25/90/597552590.db2.gz CWDAESVZOUFQNU-UHFFFAOYSA-N 2 1 344.503 1.600 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000878274274 597591788 /nfs/dbraw/zinc/59/17/88/597591788.db2.gz YTSGQLIRPVSBPP-SFHVURJKSA-N 2 1 330.476 1.773 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000878274274 597591789 /nfs/dbraw/zinc/59/17/89/597591789.db2.gz YTSGQLIRPVSBPP-SFHVURJKSA-N 2 1 330.476 1.773 20 0 EDADMP CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878272806 597591812 /nfs/dbraw/zinc/59/18/12/597591812.db2.gz NAQAEOCYPUNVAS-HZPDHXFCSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H](CCO)[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878339620 597596719 /nfs/dbraw/zinc/59/67/19/597596719.db2.gz DUXDCYDGVXGGLU-INIZCTEOSA-N 2 1 333.476 1.470 20 0 EDADMP CC(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1nnc2ccccn21 ZINC000878373712 597598328 /nfs/dbraw/zinc/59/83/28/597598328.db2.gz AYKPBGJBJADNEB-QGZVFWFLSA-N 2 1 344.463 1.226 20 0 EDADMP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878434906 597601716 /nfs/dbraw/zinc/60/17/16/597601716.db2.gz WMXXTUIUQGSIIT-GOSISDBHSA-N 2 1 344.503 1.798 20 0 EDADMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878434906 597601717 /nfs/dbraw/zinc/60/17/17/597601717.db2.gz WMXXTUIUQGSIIT-GOSISDBHSA-N 2 1 344.503 1.798 20 0 EDADMP CN(CCC[N@@H+](C)C[C@H]1CCC2(CCOCC2)CO1)CC[NH+](C)C ZINC000878623659 597658671 /nfs/dbraw/zinc/65/86/71/597658671.db2.gz UBZBSMSINMIBQK-GOSISDBHSA-N 2 1 341.540 1.778 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883423326 597741900 /nfs/dbraw/zinc/74/19/00/597741900.db2.gz IQVGPQHINSERBQ-WBVHZDCISA-N 2 1 331.464 1.786 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000883442950 597748691 /nfs/dbraw/zinc/74/86/91/597748691.db2.gz WPSBPOXLGFCWOY-CVEARBPZSA-N 2 1 332.448 1.177 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(Cc2ncc(C(=O)OC)s2)CC1 ZINC000883448288 597751032 /nfs/dbraw/zinc/75/10/32/597751032.db2.gz ZSNUONOIVZEMIB-MRXNPFEDSA-N 2 1 341.477 1.155 20 0 EDADMP COc1ccc([C@H]2CC[N@H+](CC(=O)NC3CC[NH+](C)CC3)C2)cc1F ZINC000879064776 597807665 /nfs/dbraw/zinc/80/76/65/597807665.db2.gz OURKMQVNIINSLV-HNNXBMFYSA-N 2 1 349.450 1.834 20 0 EDADMP COc1ccc([C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C)CC3)C2)cc1F ZINC000879064776 597807667 /nfs/dbraw/zinc/80/76/67/597807667.db2.gz OURKMQVNIINSLV-HNNXBMFYSA-N 2 1 349.450 1.834 20 0 EDADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000883585792 597814172 /nfs/dbraw/zinc/81/41/72/597814172.db2.gz YCSTXQZXZAEILN-SZMVWBNQSA-N 2 1 341.459 1.549 20 0 EDADMP [NH3+]Cc1ocnc1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000884207075 598029064 /nfs/dbraw/zinc/02/90/64/598029064.db2.gz LZANGPUNKMURGG-UHFFFAOYSA-N 2 1 346.456 1.977 20 0 EDADMP Cc1nccn1CCCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914247644 695309429 /nfs/dbraw/zinc/30/94/29/695309429.db2.gz CEGQYBOUHCQZLA-CABCVRRESA-N 2 1 337.493 1.461 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000915136306 695748606 /nfs/dbraw/zinc/74/86/06/695748606.db2.gz OXSFWKQLZUVBOC-NVXWUHKLSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000915136306 695748607 /nfs/dbraw/zinc/74/86/07/695748607.db2.gz OXSFWKQLZUVBOC-NVXWUHKLSA-N 2 1 338.496 1.269 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC001015654942 696030851 /nfs/dbraw/zinc/03/08/51/696030851.db2.gz JECYKNHJSHNYKI-DZGCQCFKSA-N 2 1 329.435 1.954 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)C1CC1 ZINC000916117340 696623066 /nfs/dbraw/zinc/62/30/66/696623066.db2.gz LZWVHXRTORYKPS-HUUCEWRRSA-N 2 1 326.510 1.350 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000916360509 696655058 /nfs/dbraw/zinc/65/50/58/696655058.db2.gz HWVHMIYKRBZQGJ-ZBFHGGJFSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000916360509 696655060 /nfs/dbraw/zinc/65/50/60/696655060.db2.gz HWVHMIYKRBZQGJ-ZBFHGGJFSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000916360509 696655061 /nfs/dbraw/zinc/65/50/61/696655061.db2.gz HWVHMIYKRBZQGJ-ZBFHGGJFSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1ccccn1 ZINC000994261154 696674883 /nfs/dbraw/zinc/67/48/83/696674883.db2.gz YYCSXUWLWJQJDG-NVXWUHKLSA-N 2 1 328.460 1.647 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1Cc1ccccn1 ZINC000994261154 696674885 /nfs/dbraw/zinc/67/48/85/696674885.db2.gz YYCSXUWLWJQJDG-NVXWUHKLSA-N 2 1 328.460 1.647 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000940008005 700109558 /nfs/dbraw/zinc/10/95/58/700109558.db2.gz DEKFLUMKXIEXSO-OAHLLOKOSA-N 2 1 348.495 1.424 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000940008636 700110748 /nfs/dbraw/zinc/11/07/48/700110748.db2.gz WMOSFCGBMFTWEI-OAHLLOKOSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CCC[C@H](NC(=O)Cn2ccnc2)[C@H]1C ZINC000994500958 696944797 /nfs/dbraw/zinc/94/47/97/696944797.db2.gz AJMNMTTWLOAZJP-CJNGLKHVSA-N 2 1 331.420 1.657 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CCC[C@H](NC(=O)Cn2ccnc2)[C@H]1C ZINC000994500958 696944801 /nfs/dbraw/zinc/94/48/01/696944801.db2.gz AJMNMTTWLOAZJP-CJNGLKHVSA-N 2 1 331.420 1.657 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000917889660 697103514 /nfs/dbraw/zinc/10/35/14/697103514.db2.gz HFUWSJVFYNOPQT-BZUAXINKSA-N 2 1 340.537 1.740 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000917889660 697103516 /nfs/dbraw/zinc/10/35/16/697103516.db2.gz HFUWSJVFYNOPQT-BZUAXINKSA-N 2 1 340.537 1.740 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000917889660 697103518 /nfs/dbraw/zinc/10/35/18/697103518.db2.gz HFUWSJVFYNOPQT-BZUAXINKSA-N 2 1 340.537 1.740 20 0 EDADMP COc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)ccc1C ZINC001031585305 697281067 /nfs/dbraw/zinc/28/10/67/697281067.db2.gz VWYVNSDKCLLHKJ-QGZVFWFLSA-N 2 1 331.460 1.646 20 0 EDADMP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031594225 697292802 /nfs/dbraw/zinc/29/28/02/697292802.db2.gz WVRRMMDRKKIVSY-ZWKOTPCHSA-N 2 1 331.460 1.516 20 0 EDADMP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031594225 697292804 /nfs/dbraw/zinc/29/28/04/697292804.db2.gz WVRRMMDRKKIVSY-ZWKOTPCHSA-N 2 1 331.460 1.516 20 0 EDADMP C[C@H](CNC(=S)NC1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000920309008 697419518 /nfs/dbraw/zinc/41/95/18/697419518.db2.gz NAFRPJGNKTVRLO-OAHLLOKOSA-N 2 1 346.544 1.992 20 0 EDADMP CCc1nocc1CN1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668507 697460916 /nfs/dbraw/zinc/46/09/16/697460916.db2.gz HYVLMYXKRYNSNE-DOTOQJQBSA-N 2 1 346.475 1.659 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668507 697460917 /nfs/dbraw/zinc/46/09/17/697460917.db2.gz HYVLMYXKRYNSNE-DOTOQJQBSA-N 2 1 346.475 1.659 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668507 697460918 /nfs/dbraw/zinc/46/09/18/697460918.db2.gz HYVLMYXKRYNSNE-DOTOQJQBSA-N 2 1 346.475 1.659 20 0 EDADMP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)cs1 ZINC001031688814 697527148 /nfs/dbraw/zinc/52/71/48/697527148.db2.gz LLLOBYWUTLXOPM-IRXDYDNUSA-N 2 1 349.500 1.468 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)C(C)(C)C[NH+](C)C ZINC000921388946 697587899 /nfs/dbraw/zinc/58/78/99/697587899.db2.gz WVMQPIMGANLBMK-GDBMZVCRSA-N 2 1 340.512 1.515 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2nccs2)C1 ZINC000995035851 700180908 /nfs/dbraw/zinc/18/09/08/700180908.db2.gz JHAPLJJKQJEVIQ-UONOGXRCSA-N 2 1 333.461 1.723 20 0 EDADMP CC[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727379 697954133 /nfs/dbraw/zinc/95/41/33/697954133.db2.gz FPUPQLQHXXZVJP-MAUKXSAKSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC000940110021 700223368 /nfs/dbraw/zinc/22/33/68/700223368.db2.gz RVCFCQXOLFVIOB-HNNXBMFYSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC000940110021 700223372 /nfs/dbraw/zinc/22/33/72/700223372.db2.gz RVCFCQXOLFVIOB-HNNXBMFYSA-N 2 1 349.479 1.722 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943513854 698426880 /nfs/dbraw/zinc/42/68/80/698426880.db2.gz ARRZVPYOAUTOGL-RDJZCZTQSA-N 2 1 335.496 1.541 20 0 EDADMP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000940111733 700225956 /nfs/dbraw/zinc/22/59/56/700225956.db2.gz NYOGQJVDIBIDKY-HOCLYGCPSA-N 2 1 347.463 1.415 20 0 EDADMP Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765702 699056836 /nfs/dbraw/zinc/05/68/36/699056836.db2.gz MNCJLWVWOOSLSB-GPMSIDNRSA-N 2 1 345.487 1.823 20 0 EDADMP Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765702 699056838 /nfs/dbraw/zinc/05/68/38/699056838.db2.gz MNCJLWVWOOSLSB-GPMSIDNRSA-N 2 1 345.487 1.823 20 0 EDADMP CCc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031769416 699079686 /nfs/dbraw/zinc/07/96/86/699079686.db2.gz LEEYOWSQNXFXCG-DNVCBOLYSA-N 2 1 345.487 1.516 20 0 EDADMP CCc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031769416 699079689 /nfs/dbraw/zinc/07/96/89/699079689.db2.gz LEEYOWSQNXFXCG-DNVCBOLYSA-N 2 1 345.487 1.516 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)s1 ZINC000939054428 699114683 /nfs/dbraw/zinc/11/46/83/699114683.db2.gz JGAXVQGYNUFUCX-RISCZKNCSA-N 2 1 337.493 1.125 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1nccn1C ZINC000939128055 699206312 /nfs/dbraw/zinc/20/63/12/699206312.db2.gz HCKPDAXAOXGQFZ-HUUCEWRRSA-N 2 1 333.480 1.089 20 0 EDADMP CC[C@@H](C[NH+]1CC(CNC(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1)OC ZINC001031787135 699241638 /nfs/dbraw/zinc/24/16/38/699241638.db2.gz BFZGZSUZMCVHGG-GJZGRUSLSA-N 2 1 334.464 1.296 20 0 EDADMP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cscn1 ZINC000939247210 699417391 /nfs/dbraw/zinc/41/73/91/699417391.db2.gz OFCLZIRUDCZSAP-XJKSGUPXSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)cs1 ZINC000939551263 699700446 /nfs/dbraw/zinc/70/04/46/699700446.db2.gz RSSBABLKCRHJKA-DOMZBBRYSA-N 2 1 334.489 1.484 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941674976 701614769 /nfs/dbraw/zinc/61/47/69/701614769.db2.gz OPIFEQLHQSDFJU-LJQANCHMSA-N 2 1 348.535 1.489 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cncc(F)c2)[C@@H](C)C1 ZINC000939748340 699895203 /nfs/dbraw/zinc/89/52/03/699895203.db2.gz OSHKXTHIWJSEHE-LRDDRELGSA-N 2 1 331.395 1.362 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000939750310 699898026 /nfs/dbraw/zinc/89/80/26/699898026.db2.gz YQVYEPRBNOCGIZ-IUODEOHRSA-N 2 1 347.850 1.877 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1nc2c(o1)CCCC2 ZINC000939753285 699902468 /nfs/dbraw/zinc/90/24/68/699902468.db2.gz DLYCDHCBSSZUJM-ZBFHGGJFSA-N 2 1 346.475 1.586 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000940178825 700312309 /nfs/dbraw/zinc/31/23/09/700312309.db2.gz MCOPWKSVGGYWED-QGZVFWFLSA-N 2 1 345.491 1.740 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1 ZINC000940179516 700313320 /nfs/dbraw/zinc/31/33/20/700313320.db2.gz WMNJEGFYSAYUGT-CQSZACIVSA-N 2 1 337.493 1.493 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000940214669 700355224 /nfs/dbraw/zinc/35/52/24/700355224.db2.gz VIVJEARSCOFNQJ-INIZCTEOSA-N 2 1 334.464 1.731 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1)[NH+](C)C ZINC000940307285 700489204 /nfs/dbraw/zinc/48/92/04/700489204.db2.gz SFNDLKYGFMTPLD-CQSZACIVSA-N 2 1 339.509 1.595 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]Cc2cnc(C)cn2)CC1 ZINC000940461475 700664575 /nfs/dbraw/zinc/66/45/75/700664575.db2.gz CQMMUOMNHAUEKW-UHFFFAOYSA-N 2 1 342.447 1.461 20 0 EDADMP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940461875 700665108 /nfs/dbraw/zinc/66/51/08/700665108.db2.gz PEXZYMLJJGNCBR-CQSZACIVSA-N 2 1 334.464 1.659 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940461775 700665133 /nfs/dbraw/zinc/66/51/33/700665133.db2.gz KGHIDXXZTVZWIP-UHFFFAOYSA-N 2 1 328.420 1.152 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC000940461991 700665620 /nfs/dbraw/zinc/66/56/20/700665620.db2.gz VKDMXMHDSHVWFI-AWEZNQCLSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1noc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995078506 700669813 /nfs/dbraw/zinc/66/98/13/700669813.db2.gz KHSUSQWYMFXTPT-HIFRSBDPSA-N 2 1 335.452 1.094 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCOC2)CC1(C)C ZINC000940892426 700967491 /nfs/dbraw/zinc/96/74/91/700967491.db2.gz CPGCIGUBNGUBHA-IAGOWNOFSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)CC1(C)C ZINC000940892426 700967493 /nfs/dbraw/zinc/96/74/93/700967493.db2.gz CPGCIGUBNGUBHA-IAGOWNOFSA-N 2 1 348.491 1.835 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940972160 701014394 /nfs/dbraw/zinc/01/43/94/701014394.db2.gz JDUHBCYNUBUNSR-DLBZAZTESA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940972160 701014396 /nfs/dbraw/zinc/01/43/96/701014396.db2.gz JDUHBCYNUBUNSR-DLBZAZTESA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940972160 701014397 /nfs/dbraw/zinc/01/43/97/701014397.db2.gz JDUHBCYNUBUNSR-DLBZAZTESA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940972160 701014399 /nfs/dbraw/zinc/01/43/99/701014399.db2.gz JDUHBCYNUBUNSR-DLBZAZTESA-N 2 1 339.524 1.968 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3nccnc3C)C2)C1 ZINC001031918246 701030309 /nfs/dbraw/zinc/03/03/09/701030309.db2.gz BFYPMIBZDRHYLT-KRWDZBQOSA-N 2 1 345.491 1.455 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3nccnc3C)C2)C1 ZINC001031918246 701030310 /nfs/dbraw/zinc/03/03/10/701030310.db2.gz BFYPMIBZDRHYLT-KRWDZBQOSA-N 2 1 345.491 1.455 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941003418 701042933 /nfs/dbraw/zinc/04/29/33/701042933.db2.gz WQFRKNLUCIUCJZ-GOEBONIOSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029097 701069824 /nfs/dbraw/zinc/06/98/24/701069824.db2.gz RPZHTDPKLXJKGP-GJZGRUSLSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@H](O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029097 701069827 /nfs/dbraw/zinc/06/98/27/701069827.db2.gz RPZHTDPKLXJKGP-GJZGRUSLSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@H](O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029097 701069831 /nfs/dbraw/zinc/06/98/31/701069831.db2.gz RPZHTDPKLXJKGP-GJZGRUSLSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029099 701069857 /nfs/dbraw/zinc/06/98/57/701069857.db2.gz RPZHTDPKLXJKGP-HUUCEWRRSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029099 701069861 /nfs/dbraw/zinc/06/98/61/701069861.db2.gz RPZHTDPKLXJKGP-HUUCEWRRSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029099 701069863 /nfs/dbraw/zinc/06/98/63/701069863.db2.gz RPZHTDPKLXJKGP-HUUCEWRRSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cnnn2C)CC1(C)C ZINC000941033755 701076642 /nfs/dbraw/zinc/07/66/42/701076642.db2.gz UMKHUKSRNNOKBP-GOEBONIOSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cnnn2C)CC1(C)C ZINC000941033755 701076645 /nfs/dbraw/zinc/07/66/45/701076645.db2.gz UMKHUKSRNNOKBP-GOEBONIOSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)CC1(C)C ZINC000941033755 701076647 /nfs/dbraw/zinc/07/66/47/701076647.db2.gz UMKHUKSRNNOKBP-GOEBONIOSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)CC1(C)C ZINC000941033755 701076650 /nfs/dbraw/zinc/07/66/50/701076650.db2.gz UMKHUKSRNNOKBP-GOEBONIOSA-N 2 1 348.495 1.016 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(Cc3ccon3)CC2(C)C)C1 ZINC000941163987 701229183 /nfs/dbraw/zinc/22/91/83/701229183.db2.gz RDSIPVCTRAZWQA-GOEBONIOSA-N 2 1 334.464 1.733 20 0 EDADMP CC1(C)C[N@@H+](CC2CCOCC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941215062 701401307 /nfs/dbraw/zinc/40/13/07/701401307.db2.gz KPNVJGSQQGHUAX-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1nc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)oc1C ZINC000941216560 701402708 /nfs/dbraw/zinc/40/27/08/701402708.db2.gz FASRHPXNZYHOCP-HOTGVXAUSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)oc1C ZINC000941216560 701402710 /nfs/dbraw/zinc/40/27/10/701402710.db2.gz FASRHPXNZYHOCP-HOTGVXAUSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)oc1C ZINC000941216560 701402712 /nfs/dbraw/zinc/40/27/12/701402712.db2.gz FASRHPXNZYHOCP-HOTGVXAUSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)oc1C ZINC000941216560 701402713 /nfs/dbraw/zinc/40/27/13/701402713.db2.gz FASRHPXNZYHOCP-HOTGVXAUSA-N 2 1 348.491 1.960 20 0 EDADMP CC[C@H](C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1)OC ZINC000941221132 701411433 /nfs/dbraw/zinc/41/14/33/701411433.db2.gz LRIHDLSTTHXVCM-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC[C@@H]2CCCO2)CC1(C)C ZINC000941223250 701413571 /nfs/dbraw/zinc/41/35/71/701413571.db2.gz CXMIAVYGQQKHCQ-IRXDYDNUSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)CC1(C)C ZINC000941223250 701413572 /nfs/dbraw/zinc/41/35/72/701413572.db2.gz CXMIAVYGQQKHCQ-IRXDYDNUSA-N 2 1 348.491 1.977 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CC(C)(C)C3)C2)CC1 ZINC000941345315 701480739 /nfs/dbraw/zinc/48/07/39/701480739.db2.gz RMYIFBAYRLVWJR-GOSISDBHSA-N 2 1 348.535 1.345 20 0 EDADMP CN(C)c1cc(C[NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)ccn1 ZINC001031947478 701502775 /nfs/dbraw/zinc/50/27/75/701502775.db2.gz GPTNQONGAMUEFP-UHFFFAOYSA-N 2 1 345.491 1.037 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032129461 701821962 /nfs/dbraw/zinc/82/19/62/701821962.db2.gz YOBFKPUYUVQQDU-SJLPKXTDSA-N 2 1 347.507 1.397 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1 ZINC001031978378 702084121 /nfs/dbraw/zinc/08/41/21/702084121.db2.gz SGDBAOXGXXTLBV-KSSFIOAISA-N 2 1 331.460 1.441 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1nccs1 ZINC000995817930 702134218 /nfs/dbraw/zinc/13/42/18/702134218.db2.gz BGHJYGPCDXQVNQ-HUUCEWRRSA-N 2 1 348.516 1.812 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)no1 ZINC000995892824 702193786 /nfs/dbraw/zinc/19/37/86/702193786.db2.gz GIBSDJSZUDJBPH-CVEARBPZSA-N 2 1 334.464 1.650 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)c(C)o1 ZINC000995894710 702197862 /nfs/dbraw/zinc/19/78/62/702197862.db2.gz KTHRDKLJJWZYJM-IRXDYDNUSA-N 2 1 348.491 1.958 20 0 EDADMP CN(C)c1cccc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032182535 702202433 /nfs/dbraw/zinc/20/24/33/702202433.db2.gz MXUHHAGIUTXMSP-KRWDZBQOSA-N 2 1 330.476 1.252 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)c3)C2)CC[N@H+]1C ZINC000999204184 706649792 /nfs/dbraw/zinc/64/97/92/706649792.db2.gz DEXSFKZKHJRTEE-YESZJQIVSA-N 2 1 333.480 1.231 20 0 EDADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995918650 702237426 /nfs/dbraw/zinc/23/74/26/702237426.db2.gz XRYSRZSOQMVNLB-GOEBONIOSA-N 2 1 348.495 1.016 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1)C1CCC1 ZINC000995918403 702237883 /nfs/dbraw/zinc/23/78/83/702237883.db2.gz NPBZIUVGLMUEAJ-KRWDZBQOSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995924724 702250193 /nfs/dbraw/zinc/25/01/93/702250193.db2.gz JMBMDSNJLVIADX-CVEARBPZSA-N 2 1 336.480 1.896 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)[nH]1 ZINC000995929295 702259882 /nfs/dbraw/zinc/25/98/82/702259882.db2.gz VLMJSOGUEUXJIY-ZFWWWQNUSA-N 2 1 336.484 1.026 20 0 EDADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995912424 702270255 /nfs/dbraw/zinc/27/02/55/702270255.db2.gz DQIZJUPIUGMBQV-HOTGVXAUSA-N 2 1 334.464 1.876 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995912424 702270259 /nfs/dbraw/zinc/27/02/59/702270259.db2.gz DQIZJUPIUGMBQV-HOTGVXAUSA-N 2 1 334.464 1.876 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CCOc3ccc(F)cc3)C2)C1 ZINC001032186795 702283423 /nfs/dbraw/zinc/28/34/23/702283423.db2.gz WXFMTJYBXDXXSH-HNNXBMFYSA-N 2 1 335.423 1.204 20 0 EDADMP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ncc(C)cn2)C(C)(C)C1)[NH+](C)C ZINC000995944399 702289843 /nfs/dbraw/zinc/28/98/43/702289843.db2.gz BZAWSBRTNFWDJM-CABCVRRESA-N 2 1 333.480 1.452 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CCOc3cccc(F)c3)C2)C1 ZINC001032185864 702309792 /nfs/dbraw/zinc/30/97/92/702309792.db2.gz DKSVLIIXZJRHOS-HNNXBMFYSA-N 2 1 335.423 1.204 20 0 EDADMP COc1cccc([C@H](C)[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032186099 702315262 /nfs/dbraw/zinc/31/52/62/702315262.db2.gz IKVSKPIMXADSFJ-WMLDXEAASA-N 2 1 331.460 1.756 20 0 EDADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186307 702323351 /nfs/dbraw/zinc/32/33/51/702323351.db2.gz NEZZVFURCLRZHP-OALUTQOASA-N 2 1 345.487 1.244 20 0 EDADMP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]Cc1ccon1 ZINC000995995288 702373349 /nfs/dbraw/zinc/37/33/49/702373349.db2.gz HIXLGFNMHPXABE-HNNXBMFYSA-N 2 1 332.448 1.630 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)ncn1 ZINC000944168869 702409283 /nfs/dbraw/zinc/40/92/83/702409283.db2.gz LGPGTEGJGLVJFO-PBHICJAKSA-N 2 1 343.475 1.207 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942055587 702502559 /nfs/dbraw/zinc/50/25/59/702502559.db2.gz BEGGIIJKVSMFBU-HOTGVXAUSA-N 2 1 335.496 1.541 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)s1 ZINC000995203294 702599111 /nfs/dbraw/zinc/59/91/11/702599111.db2.gz XCSAYKXENBPDNN-KBPBESRZSA-N 2 1 348.476 1.426 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccnn3C)C(C)(C)C2)C1 ZINC000996299890 702691171 /nfs/dbraw/zinc/69/11/71/702691171.db2.gz GHJSHWMRUZUNEY-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cnc(CN[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)nc1 ZINC000996301232 702692938 /nfs/dbraw/zinc/69/29/38/702692938.db2.gz SJPWMPOGDWRAMO-HOTGVXAUSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)nc1 ZINC000996301232 702692940 /nfs/dbraw/zinc/69/29/40/702692940.db2.gz SJPWMPOGDWRAMO-HOTGVXAUSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(CN[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)nc1 ZINC000996301455 702693529 /nfs/dbraw/zinc/69/35/29/702693529.db2.gz SZPIEHBEFUHQGR-ZBFHGGJFSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)nc1 ZINC000996301455 702693532 /nfs/dbraw/zinc/69/35/32/702693532.db2.gz SZPIEHBEFUHQGR-ZBFHGGJFSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@H]1C[N@@H+](CCn2cccn2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256975 702748092 /nfs/dbraw/zinc/74/80/92/702748092.db2.gz IVBXYEWEDHYQOI-IRXDYDNUSA-N 2 1 345.491 1.338 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)o1 ZINC000942257996 702752358 /nfs/dbraw/zinc/75/23/58/702752358.db2.gz NWZLVQLWROBDNC-YOEHRIQHSA-N 2 1 346.475 1.938 20 0 EDADMP CCc1noc(CN[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996512088 702831355 /nfs/dbraw/zinc/83/13/55/702831355.db2.gz AOGYAUPFPMTFTR-KBPBESRZSA-N 2 1 349.479 1.300 20 0 EDADMP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518244 702853862 /nfs/dbraw/zinc/85/38/62/702853862.db2.gz IUFQMRXYLNNQDA-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP CCc1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)no1 ZINC000996560540 702878874 /nfs/dbraw/zinc/87/88/74/702878874.db2.gz JIXBCRLDUBTJOD-HNNXBMFYSA-N 2 1 347.463 1.054 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3coc(C)n3)CC2)CC[N@H+]1C ZINC000996605182 702914411 /nfs/dbraw/zinc/91/44/11/702914411.db2.gz YUTOZXRXLYOPKO-DLBZAZTESA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)s1 ZINC000996615132 702922541 /nfs/dbraw/zinc/92/25/41/702922541.db2.gz PEAZVBXLHAFOIT-UKRRQHHQSA-N 2 1 336.505 1.730 20 0 EDADMP O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996623065 702928413 /nfs/dbraw/zinc/92/84/13/702928413.db2.gz UZOUCYYDFJSWQX-QZTJIDSGSA-N 2 1 344.459 1.025 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2ncccn2)CC1 ZINC000996643637 702946279 /nfs/dbraw/zinc/94/62/79/702946279.db2.gz DBPNYBVFKRNPON-WBVHZDCISA-N 2 1 345.491 1.993 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996646253 702948306 /nfs/dbraw/zinc/94/83/06/702948306.db2.gz RNZWSLRJZWAKLC-OAHLLOKOSA-N 2 1 337.493 1.493 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000996664549 702966909 /nfs/dbraw/zinc/96/69/09/702966909.db2.gz WRPZROLSEQIDAC-KRWDZBQOSA-N 2 1 333.480 1.375 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000996674213 702969297 /nfs/dbraw/zinc/96/92/97/702969297.db2.gz UEYKWVCTHMYBKK-JKSUJKDBSA-N 2 1 348.495 1.016 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000996674213 702969299 /nfs/dbraw/zinc/96/92/99/702969299.db2.gz UEYKWVCTHMYBKK-JKSUJKDBSA-N 2 1 348.495 1.016 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000996674600 702969754 /nfs/dbraw/zinc/96/97/54/702969754.db2.gz UZMPPWBGYRBPLH-CVEARBPZSA-N 2 1 348.495 1.016 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000996674600 702969755 /nfs/dbraw/zinc/96/97/55/702969755.db2.gz UZMPPWBGYRBPLH-CVEARBPZSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000996672601 702973771 /nfs/dbraw/zinc/97/37/71/702973771.db2.gz RUDANVBWSBDFAQ-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996679726 702978573 /nfs/dbraw/zinc/97/85/73/702978573.db2.gz QODFLCHZOCOYGG-CQSZACIVSA-N 2 1 346.460 1.393 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1)c1ncccn1 ZINC000996688218 702985718 /nfs/dbraw/zinc/98/57/18/702985718.db2.gz GRXLFYJQFUZSBS-WBVHZDCISA-N 2 1 345.491 1.993 20 0 EDADMP CCn1ccnc1C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996690080 702987472 /nfs/dbraw/zinc/98/74/72/702987472.db2.gz OIDUBDXFCHJKQY-KRWDZBQOSA-N 2 1 347.507 1.858 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)n1 ZINC000996712532 703007503 /nfs/dbraw/zinc/00/75/03/703007503.db2.gz QHBOGZBDIUOELB-CVEARBPZSA-N 2 1 347.463 1.476 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)n1 ZINC000996712532 703007505 /nfs/dbraw/zinc/00/75/05/703007505.db2.gz QHBOGZBDIUOELB-CVEARBPZSA-N 2 1 347.463 1.476 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000996727491 703022265 /nfs/dbraw/zinc/02/22/65/703022265.db2.gz GIMKOKOBHRYRTG-QGZVFWFLSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1nn(C)c(Cl)c1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000071877585 703035094 /nfs/dbraw/zinc/03/50/94/703035094.db2.gz VRVQBNCAGJPSPV-LBPRGKRZSA-N 2 1 328.888 1.907 20 0 EDADMP Cc1nn(C)c(Cl)c1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000071877585 703035097 /nfs/dbraw/zinc/03/50/97/703035097.db2.gz VRVQBNCAGJPSPV-LBPRGKRZSA-N 2 1 328.888 1.907 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2CCC([NH2+]Cc3cncs3)CC2)no1 ZINC000996747726 703041595 /nfs/dbraw/zinc/04/15/95/703041595.db2.gz NTPSAFDMMLHYEG-UHFFFAOYSA-N 2 1 349.460 1.587 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001032027411 703049332 /nfs/dbraw/zinc/04/93/32/703049332.db2.gz RCCBABXMYPOXNU-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000996799916 703086186 /nfs/dbraw/zinc/08/61/86/703086186.db2.gz CCWNZMHQTJSKOJ-CRAIPNDOSA-N 2 1 332.448 1.199 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597138 703112010 /nfs/dbraw/zinc/11/20/10/703112010.db2.gz JCHRSDHTWQOGBN-CRAIPNDOSA-N 2 1 330.476 1.750 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1)c1ncccn1 ZINC000996922037 703193047 /nfs/dbraw/zinc/19/30/47/703193047.db2.gz LAFWEGGCUDPIPV-JYJNAYRXSA-N 2 1 345.491 1.849 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042967 703211041 /nfs/dbraw/zinc/21/10/41/703211041.db2.gz PWYOGFCDQSKWQR-SJORKVTESA-N 2 1 332.448 1.548 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032042967 703211042 /nfs/dbraw/zinc/21/10/42/703211042.db2.gz PWYOGFCDQSKWQR-SJORKVTESA-N 2 1 332.448 1.548 20 0 EDADMP Cc1oncc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000996976263 703241524 /nfs/dbraw/zinc/24/15/24/703241524.db2.gz BYNWAINDXINISC-DYVFJYSZSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncoc1C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000996977340 703242106 /nfs/dbraw/zinc/24/21/06/703242106.db2.gz IDMVFTYUIFORJW-CZUORRHYSA-N 2 1 334.464 1.794 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)[nH]1 ZINC000996995176 703251878 /nfs/dbraw/zinc/25/18/78/703251878.db2.gz LWOPSUWFQJXNHD-AWEZNQCLSA-N 2 1 348.495 1.493 20 0 EDADMP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000996998497 703255630 /nfs/dbraw/zinc/25/56/30/703255630.db2.gz KEIAXPGXJIWBCN-AWEZNQCLSA-N 2 1 348.495 1.171 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)C1 ZINC000997004611 703261711 /nfs/dbraw/zinc/26/17/11/703261711.db2.gz FNXIQNYDULHDGY-OAHLLOKOSA-N 2 1 345.491 1.252 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000997006910 703264222 /nfs/dbraw/zinc/26/42/22/703264222.db2.gz HFRGCZAHFKIPBZ-GUYCJALGSA-N 2 1 334.439 1.499 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000997010498 703270600 /nfs/dbraw/zinc/27/06/00/703270600.db2.gz SCTIIBGTXDIWEA-DZGCQCFKSA-N 2 1 349.479 1.300 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000997010498 703270602 /nfs/dbraw/zinc/27/06/02/703270602.db2.gz SCTIIBGTXDIWEA-DZGCQCFKSA-N 2 1 349.479 1.300 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000997060765 703305722 /nfs/dbraw/zinc/30/57/22/703305722.db2.gz JMJXNOHJDNUKTA-QGZVFWFLSA-N 2 1 347.507 1.764 20 0 EDADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CCCOC2)CC1 ZINC001032699754 706736838 /nfs/dbraw/zinc/73/68/38/706736838.db2.gz WHGNRFPHSCTBFV-BZSNNMDCSA-N 2 1 335.492 1.430 20 0 EDADMP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000997133350 703393533 /nfs/dbraw/zinc/39/35/33/703393533.db2.gz XVIAQWFRUVVJLD-GDBMZVCRSA-N 2 1 334.464 1.624 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccnn1C ZINC001032399982 703413415 /nfs/dbraw/zinc/41/34/15/703413415.db2.gz OLWNWSZQSJYQKG-BZSNNMDCSA-N 2 1 345.491 1.121 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccnn1C ZINC001032399982 703413416 /nfs/dbraw/zinc/41/34/16/703413416.db2.gz OLWNWSZQSJYQKG-BZSNNMDCSA-N 2 1 345.491 1.121 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccnn1C ZINC001032399982 703413417 /nfs/dbraw/zinc/41/34/17/703413417.db2.gz OLWNWSZQSJYQKG-BZSNNMDCSA-N 2 1 345.491 1.121 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccnn1C ZINC001032399982 703413418 /nfs/dbraw/zinc/41/34/18/703413418.db2.gz OLWNWSZQSJYQKG-BZSNNMDCSA-N 2 1 345.491 1.121 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCOC1)[NH+]1CCCCC1 ZINC001032404374 703424037 /nfs/dbraw/zinc/42/40/37/703424037.db2.gz FMEUUWVJSJAGLG-ULQDDVLXSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2cccs2)CC[N@H+]1C ZINC001032411664 703446737 /nfs/dbraw/zinc/44/67/37/703446737.db2.gz UTQPDMXWYUVFAO-WBTNSWJXSA-N 2 1 333.501 1.916 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2cccs2)CC[NH+]1C ZINC001032411664 703446739 /nfs/dbraw/zinc/44/67/39/703446739.db2.gz UTQPDMXWYUVFAO-WBTNSWJXSA-N 2 1 333.501 1.916 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2cccs2)CC[NH+]1C ZINC001032411664 703446740 /nfs/dbraw/zinc/44/67/40/703446740.db2.gz UTQPDMXWYUVFAO-WBTNSWJXSA-N 2 1 333.501 1.916 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000997170120 703452071 /nfs/dbraw/zinc/45/20/71/703452071.db2.gz LLFCQNKRXCWHDT-QGZVFWFLSA-N 2 1 349.479 1.805 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC000997187328 703476986 /nfs/dbraw/zinc/47/69/86/703476986.db2.gz XRMUNRPJIILRPT-CQSZACIVSA-N 2 1 336.505 1.874 20 0 EDADMP O=C(N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1)C12CC[NH+](CC1)C2 ZINC000997191917 703488629 /nfs/dbraw/zinc/48/86/29/703488629.db2.gz HGMQHJAISFNQPA-UHFFFAOYSA-N 2 1 345.447 1.123 20 0 EDADMP COc1ccc(CC[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000997299878 703557227 /nfs/dbraw/zinc/55/72/27/703557227.db2.gz QVDIHJAQRSWABK-KRWDZBQOSA-N 2 1 345.487 1.770 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccnc2C)CC1 ZINC000997367118 703601537 /nfs/dbraw/zinc/60/15/37/703601537.db2.gz UBGVGIXDHVNXHS-SFHVURJKSA-N 2 1 345.491 1.740 20 0 EDADMP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](O)c1ccccc1)C1CCC1 ZINC001032448472 703623894 /nfs/dbraw/zinc/62/38/94/703623894.db2.gz PLSGAQBIMIEFKL-GBESFXJTSA-N 2 1 343.471 1.489 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](O)c1ccccc1)C1CCC1 ZINC001032448472 703623895 /nfs/dbraw/zinc/62/38/95/703623895.db2.gz PLSGAQBIMIEFKL-GBESFXJTSA-N 2 1 343.471 1.489 20 0 EDADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)c1ccccc1)C1CCC1 ZINC001032448472 703623896 /nfs/dbraw/zinc/62/38/96/703623896.db2.gz PLSGAQBIMIEFKL-GBESFXJTSA-N 2 1 343.471 1.489 20 0 EDADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)c1ccccc1)C1CCC1 ZINC001032448472 703623897 /nfs/dbraw/zinc/62/38/97/703623897.db2.gz PLSGAQBIMIEFKL-GBESFXJTSA-N 2 1 343.471 1.489 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccns2)CC1 ZINC000997422782 703671373 /nfs/dbraw/zinc/67/13/73/703671373.db2.gz ZCVVWFWXHMAPGD-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000997611780 703911913 /nfs/dbraw/zinc/91/19/13/703911913.db2.gz HIGFFZDPXVXGBL-QAPCUYQASA-N 2 1 345.491 1.768 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2coc(C3CC3)n2)CC1 ZINC000997615327 703914512 /nfs/dbraw/zinc/91/45/12/703914512.db2.gz UERONRLQIRRNFH-KRWDZBQOSA-N 2 1 346.475 1.974 20 0 EDADMP CCc1noc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000997615774 703914764 /nfs/dbraw/zinc/91/47/64/703914764.db2.gz WVHBUHAAHXKMGT-ZFWWWQNUSA-N 2 1 349.479 1.615 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000997615742 703914879 /nfs/dbraw/zinc/91/48/79/703914879.db2.gz WSYHMEBZHLMPCA-HOCLYGCPSA-N 2 1 334.464 1.966 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995550980 703955588 /nfs/dbraw/zinc/95/55/88/703955588.db2.gz LAFRAFFUSGFIOG-JKSUJKDBSA-N 2 1 334.464 1.712 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1)c1ccccc1 ZINC000997645781 703957982 /nfs/dbraw/zinc/95/79/82/703957982.db2.gz SEAJMHSDYVUDRJ-QFBILLFUSA-N 2 1 345.487 1.906 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1)c1ccccc1 ZINC000997645781 703957984 /nfs/dbraw/zinc/95/79/84/703957984.db2.gz SEAJMHSDYVUDRJ-QFBILLFUSA-N 2 1 345.487 1.906 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccccc3F)CC2)C1 ZINC000997646712 703959748 /nfs/dbraw/zinc/95/97/48/703959748.db2.gz XZPNIMUQEOFHNU-GOSISDBHSA-N 2 1 349.450 1.485 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccccc3F)CC2)C1 ZINC000997646712 703959751 /nfs/dbraw/zinc/95/97/51/703959751.db2.gz XZPNIMUQEOFHNU-GOSISDBHSA-N 2 1 349.450 1.485 20 0 EDADMP CCn1c(C)nnc1CN[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995554391 703969006 /nfs/dbraw/zinc/96/90/06/703969006.db2.gz WTTIMDQSAZAZMV-GJZGRUSLSA-N 2 1 348.495 1.027 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995554391 703969008 /nfs/dbraw/zinc/96/90/08/703969008.db2.gz WTTIMDQSAZAZMV-GJZGRUSLSA-N 2 1 348.495 1.027 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3nnc(C)[nH]3)C2)C1 ZINC000999286546 706779586 /nfs/dbraw/zinc/77/95/86/706779586.db2.gz AEQCWLJHMPPQEO-FHERZECASA-N 2 1 348.495 1.314 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033074138 704116972 /nfs/dbraw/zinc/11/69/72/704116972.db2.gz WGDZQGYLUPDRGF-MSOLQXFVSA-N 2 1 330.476 1.987 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033074138 704116974 /nfs/dbraw/zinc/11/69/74/704116974.db2.gz WGDZQGYLUPDRGF-MSOLQXFVSA-N 2 1 330.476 1.987 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033074138 704116976 /nfs/dbraw/zinc/11/69/76/704116976.db2.gz WGDZQGYLUPDRGF-MSOLQXFVSA-N 2 1 330.476 1.987 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033074138 704116978 /nfs/dbraw/zinc/11/69/78/704116978.db2.gz WGDZQGYLUPDRGF-MSOLQXFVSA-N 2 1 330.476 1.987 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033080818 704135373 /nfs/dbraw/zinc/13/53/73/704135373.db2.gz JOITXJAQKZSRBG-QZTJIDSGSA-N 2 1 342.487 1.765 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC001033083289 704141168 /nfs/dbraw/zinc/14/11/68/704141168.db2.gz WXSIRXPVUMPLDU-DOTOQJQBSA-N 2 1 348.516 1.826 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC001033083289 704141170 /nfs/dbraw/zinc/14/11/70/704141170.db2.gz WXSIRXPVUMPLDU-DOTOQJQBSA-N 2 1 348.516 1.826 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCn3cccn3)C2)CC[NH+]1C ZINC001033098821 704208614 /nfs/dbraw/zinc/20/86/14/704208614.db2.gz KOGRCTCQRQVREC-YESZJQIVSA-N 2 1 333.480 1.146 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCn3cccn3)C2)CC[NH+]1C ZINC001033098821 704208616 /nfs/dbraw/zinc/20/86/16/704208616.db2.gz KOGRCTCQRQVREC-YESZJQIVSA-N 2 1 333.480 1.146 20 0 EDADMP CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c(n3)CCCC4)CC[C@@H]2C1 ZINC000946597989 704309181 /nfs/dbraw/zinc/30/91/81/704309181.db2.gz SVTBDINHBOFDQM-IYBDPMFKSA-N 2 1 330.476 1.952 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004440239 704422745 /nfs/dbraw/zinc/42/27/45/704422745.db2.gz YKROIEAWLGJXMV-QZTJIDSGSA-N 2 1 335.492 1.024 20 0 EDADMP Cc1nocc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997785050 704689013 /nfs/dbraw/zinc/68/90/13/704689013.db2.gz IHMJFCOXWSZODB-RHSMWYFYSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3ccnn3C)CC2)CC[N@H+]1C ZINC000997786631 704692892 /nfs/dbraw/zinc/69/28/92/704692892.db2.gz TZMWXSUJIPHAOH-RHSMWYFYSA-N 2 1 333.480 1.089 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3ccon3)CC2)C1 ZINC000997822831 704742590 /nfs/dbraw/zinc/74/25/90/704742590.db2.gz GUEIHGWLIWSUSU-KRWDZBQOSA-N 2 1 348.491 1.981 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]Cc2nncs2)CC1)C1CCC1 ZINC000997830607 704748759 /nfs/dbraw/zinc/74/87/59/704748759.db2.gz KDAWNGCCUOLKGY-UHFFFAOYSA-N 2 1 337.493 1.351 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC000944921024 704773098 /nfs/dbraw/zinc/77/30/98/704773098.db2.gz XRMNXMMMWNJESP-GOEBONIOSA-N 2 1 348.491 1.968 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cnns2)CC1 ZINC000997869012 704774667 /nfs/dbraw/zinc/77/46/67/704774667.db2.gz XUWHVNMRWCSICD-GXTWGEPZSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cnns2)CC1 ZINC000997869012 704774669 /nfs/dbraw/zinc/77/46/69/704774669.db2.gz XUWHVNMRWCSICD-GXTWGEPZSA-N 2 1 337.493 1.207 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCCN(Cc2cnn(C)n2)CC1 ZINC000997951667 705070725 /nfs/dbraw/zinc/07/07/25/705070725.db2.gz YTINSDZNNNUOBI-IAGOWNOFSA-N 2 1 348.495 1.112 20 0 EDADMP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001032586650 705101596 /nfs/dbraw/zinc/10/15/96/705101596.db2.gz CRCVTCDABBKLRL-BZSNNMDCSA-N 2 1 337.508 1.817 20 0 EDADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001032586650 705101597 /nfs/dbraw/zinc/10/15/97/705101597.db2.gz CRCVTCDABBKLRL-BZSNNMDCSA-N 2 1 337.508 1.817 20 0 EDADMP CCC(CC)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001032586650 705101598 /nfs/dbraw/zinc/10/15/98/705101598.db2.gz CRCVTCDABBKLRL-BZSNNMDCSA-N 2 1 337.508 1.817 20 0 EDADMP CCC(CC)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001032586650 705101600 /nfs/dbraw/zinc/10/16/00/705101600.db2.gz CRCVTCDABBKLRL-BZSNNMDCSA-N 2 1 337.508 1.817 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@H]2CCCO2)CC[N@H+]1C ZINC001032586741 705105936 /nfs/dbraw/zinc/10/59/36/705105936.db2.gz BWGXKGMXDVTSTO-KFGODFMUSA-N 2 1 335.492 1.571 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@H]2CCCO2)CC[NH+]1C ZINC001032586741 705105939 /nfs/dbraw/zinc/10/59/39/705105939.db2.gz BWGXKGMXDVTSTO-KFGODFMUSA-N 2 1 335.492 1.571 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@H]2CCCO2)CC[NH+]1C ZINC001032586741 705105942 /nfs/dbraw/zinc/10/59/42/705105942.db2.gz BWGXKGMXDVTSTO-KFGODFMUSA-N 2 1 335.492 1.571 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCOCC2)CC[N@H+]1C ZINC001032589212 705153038 /nfs/dbraw/zinc/15/30/38/705153038.db2.gz YJJMGSFTKBEFCG-DKIMLUQUSA-N 2 1 335.492 1.428 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCOCC2)CC[NH+]1C ZINC001032589212 705153042 /nfs/dbraw/zinc/15/30/42/705153042.db2.gz YJJMGSFTKBEFCG-DKIMLUQUSA-N 2 1 335.492 1.428 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCOCC2)CC[NH+]1C ZINC001032589212 705153044 /nfs/dbraw/zinc/15/30/44/705153044.db2.gz YJJMGSFTKBEFCG-DKIMLUQUSA-N 2 1 335.492 1.428 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000998004797 705167156 /nfs/dbraw/zinc/16/71/56/705167156.db2.gz PTXCMBPSSWYSMC-JQHSSLGASA-N 2 1 337.508 1.581 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCOC1 ZINC001032592946 705204924 /nfs/dbraw/zinc/20/49/24/705204924.db2.gz VXNDEBIGQFNMLF-BPUTZDHNSA-N 2 1 333.432 1.276 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCOC1 ZINC001032592946 705204928 /nfs/dbraw/zinc/20/49/28/705204928.db2.gz VXNDEBIGQFNMLF-BPUTZDHNSA-N 2 1 333.432 1.276 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)no1 ZINC000998031547 705216471 /nfs/dbraw/zinc/21/64/71/705216471.db2.gz NCGQCAWZCRZSHV-CYBMUJFWSA-N 2 1 349.479 1.609 20 0 EDADMP CCN(C(=O)[C@@H]1CCc2[nH]c(C)nc2C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998042772 705238003 /nfs/dbraw/zinc/23/80/03/705238003.db2.gz AMVKOLMSZYWALC-HZPDHXFCSA-N 2 1 348.491 1.518 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998081564 705301811 /nfs/dbraw/zinc/30/18/11/705301811.db2.gz JNNOEWNHKLQACT-ZDUSSCGKSA-N 2 1 337.493 1.351 20 0 EDADMP CCc1nocc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998080518 705305855 /nfs/dbraw/zinc/30/58/55/705305855.db2.gz BXNQQCDYWCEZDZ-YOEHRIQHSA-N 2 1 348.491 1.763 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000998082216 705309152 /nfs/dbraw/zinc/30/91/52/705309152.db2.gz OPEKDOMBKBYXRX-CQSZACIVSA-N 2 1 336.505 1.956 20 0 EDADMP CCn1nncc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000998082568 705310427 /nfs/dbraw/zinc/31/04/27/705310427.db2.gz QTAYZHOUSDITIQ-OAHLLOKOSA-N 2 1 348.495 1.111 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998135931 705401211 /nfs/dbraw/zinc/40/12/11/705401211.db2.gz LKDKICHOOGEONZ-KRWDZBQOSA-N 2 1 349.479 1.661 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@H]1CCC[N@H+](CCCF)CC1 ZINC000998189869 705495656 /nfs/dbraw/zinc/49/56/56/705495656.db2.gz OETSSCKECBTHKT-DLBZAZTESA-N 2 1 343.487 1.770 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@H]1CCC[N@@H+](CCCF)CC1 ZINC000998189869 705495659 /nfs/dbraw/zinc/49/56/59/705495659.db2.gz OETSSCKECBTHKT-DLBZAZTESA-N 2 1 343.487 1.770 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@H]1CCC[NH+](CCCF)CC1 ZINC000998189869 705495662 /nfs/dbraw/zinc/49/56/62/705495662.db2.gz OETSSCKECBTHKT-DLBZAZTESA-N 2 1 343.487 1.770 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@H]1CCC[NH+](CCCF)CC1 ZINC000998189869 705495664 /nfs/dbraw/zinc/49/56/64/705495664.db2.gz OETSSCKECBTHKT-DLBZAZTESA-N 2 1 343.487 1.770 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3coc(C4CC4)n3)CC2)C1 ZINC000998265421 705632193 /nfs/dbraw/zinc/63/21/93/705632193.db2.gz MHSFPWLZXVIFDN-INIZCTEOSA-N 2 1 346.475 1.832 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]Cc2ncc(C)cn2)CC1 ZINC000998269254 705643331 /nfs/dbraw/zinc/64/33/31/705643331.db2.gz KXEVFZPYCYGUEV-UHFFFAOYSA-N 2 1 342.447 1.318 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000998582019 706016027 /nfs/dbraw/zinc/01/60/27/706016027.db2.gz AFBAVDYILIKCIL-ABHNRTSZSA-N 2 1 349.519 1.866 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000998582019 706016030 /nfs/dbraw/zinc/01/60/30/706016030.db2.gz AFBAVDYILIKCIL-ABHNRTSZSA-N 2 1 349.519 1.866 20 0 EDADMP CCn1cc(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC000998720542 706152394 /nfs/dbraw/zinc/15/23/94/706152394.db2.gz JDTFOITWAYUYJG-SJORKVTESA-N 2 1 333.480 1.120 20 0 EDADMP Cc1nc(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cs1 ZINC000998722695 706154089 /nfs/dbraw/zinc/15/40/89/706154089.db2.gz PYBMZEPQNYNFOA-GDBMZVCRSA-N 2 1 336.505 1.669 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(CO)ccc2F)C1 ZINC000998728159 706158012 /nfs/dbraw/zinc/15/80/12/706158012.db2.gz BTRIUDSFLMPMAE-AEFFLSMTSA-N 2 1 349.450 1.493 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnns2)C1 ZINC000998762386 706200534 /nfs/dbraw/zinc/20/05/34/706200534.db2.gz CQJNYFDYUWFXCB-SSDMNJCBSA-N 2 1 337.493 1.490 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000998822125 706268945 /nfs/dbraw/zinc/26/89/45/706268945.db2.gz FXJVWQLFJKUIOT-MSOLQXFVSA-N 2 1 335.492 1.788 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000998822125 706268947 /nfs/dbraw/zinc/26/89/47/706268947.db2.gz FXJVWQLFJKUIOT-MSOLQXFVSA-N 2 1 335.492 1.788 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC000998827107 706273806 /nfs/dbraw/zinc/27/38/06/706273806.db2.gz QKUFKHWQCXFXOQ-DLBZAZTESA-N 2 1 335.492 1.478 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC000998827107 706273808 /nfs/dbraw/zinc/27/38/08/706273808.db2.gz QKUFKHWQCXFXOQ-DLBZAZTESA-N 2 1 335.492 1.478 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CCc3ccccc3)C2)O1 ZINC000998984061 706402595 /nfs/dbraw/zinc/40/25/95/706402595.db2.gz PXYDUAOLTGFSOW-JYPHPWERSA-N 2 1 345.487 1.527 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CCc3ccccc3)C2)O1 ZINC000998984061 706402599 /nfs/dbraw/zinc/40/25/99/706402599.db2.gz PXYDUAOLTGFSOW-JYPHPWERSA-N 2 1 345.487 1.527 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CC([NH2+]Cc2cnon2)C1 ZINC000998986510 706418506 /nfs/dbraw/zinc/41/85/06/706418506.db2.gz GKMYUBMZOIDPND-UHFFFAOYSA-N 2 1 333.436 1.025 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)n1 ZINC000999033472 706447427 /nfs/dbraw/zinc/44/74/27/706447427.db2.gz LSQMMYVLTPECSL-UYSNPLJNSA-N 2 1 349.479 1.577 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)n1 ZINC000999033472 706447429 /nfs/dbraw/zinc/44/74/29/706447429.db2.gz LSQMMYVLTPECSL-UYSNPLJNSA-N 2 1 349.479 1.577 20 0 EDADMP Cn1nccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517246 706522008 /nfs/dbraw/zinc/52/20/08/706522008.db2.gz CYNBQNKDKUXHLX-JZXOWHBKSA-N 2 1 345.491 1.185 20 0 EDADMP Cn1nccc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946517246 706522012 /nfs/dbraw/zinc/52/20/12/706522012.db2.gz CYNBQNKDKUXHLX-JZXOWHBKSA-N 2 1 345.491 1.185 20 0 EDADMP Cn1nccc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946517246 706522014 /nfs/dbraw/zinc/52/20/14/706522014.db2.gz CYNBQNKDKUXHLX-JZXOWHBKSA-N 2 1 345.491 1.185 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC000999123466 706548289 /nfs/dbraw/zinc/54/82/89/706548289.db2.gz KQUBMCDHSHOMNO-UHFFFAOYSA-N 2 1 326.391 1.816 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2nccnc2C)C1 ZINC000999124411 706548817 /nfs/dbraw/zinc/54/88/17/706548817.db2.gz AILQVOHHOJDYKD-UHFFFAOYSA-N 2 1 328.420 1.069 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999142904 706556308 /nfs/dbraw/zinc/55/63/08/706556308.db2.gz DEBLJTJVHILPPZ-CVEARBPZSA-N 2 1 331.464 1.430 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999142904 706556309 /nfs/dbraw/zinc/55/63/09/706556309.db2.gz DEBLJTJVHILPPZ-CVEARBPZSA-N 2 1 331.464 1.430 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)no1 ZINC000999142956 706556710 /nfs/dbraw/zinc/55/67/10/706556710.db2.gz DQWVXPYPLKEEGJ-RDJZCZTQSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)no1 ZINC000999142956 706556711 /nfs/dbraw/zinc/55/67/11/706556711.db2.gz DQWVXPYPLKEEGJ-RDJZCZTQSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC000999144233 706557629 /nfs/dbraw/zinc/55/76/29/706557629.db2.gz KJUKGUOPRJVMFD-RDJZCZTQSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1nc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC[C@@H]3C2)co1 ZINC000946518072 706569179 /nfs/dbraw/zinc/56/91/79/706569179.db2.gz NQECQOHCXFYVJI-SOLBZPMBSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)CC[C@@H]3C2)co1 ZINC000946518072 706569181 /nfs/dbraw/zinc/56/91/81/706569181.db2.gz NQECQOHCXFYVJI-SOLBZPMBSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)CC[C@@H]3C2)co1 ZINC000946518072 706569185 /nfs/dbraw/zinc/56/91/85/706569185.db2.gz NQECQOHCXFYVJI-SOLBZPMBSA-N 2 1 346.475 1.748 20 0 EDADMP O=C(c1cc(-n2ccnc2)ccn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CC1 ZINC001032712870 706836776 /nfs/dbraw/zinc/83/67/76/706836776.db2.gz MZWHVQLOZXCLNI-IRXDYDNUSA-N 2 1 337.427 1.966 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H](NCc2cnn(C)n2)C1 ZINC000999350728 706863394 /nfs/dbraw/zinc/86/33/94/706863394.db2.gz ANMDNLDCDFUWAH-NVXWUHKLSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000999350728 706863398 /nfs/dbraw/zinc/86/33/98/706863398.db2.gz ANMDNLDCDFUWAH-NVXWUHKLSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000999350728 706863400 /nfs/dbraw/zinc/86/34/00/706863400.db2.gz ANMDNLDCDFUWAH-NVXWUHKLSA-N 2 1 348.495 1.159 20 0 EDADMP Cn1nccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000999376210 706870591 /nfs/dbraw/zinc/87/05/91/706870591.db2.gz VDQMMDMXKAHJGA-GOEBONIOSA-N 2 1 342.447 1.275 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999365667 706879241 /nfs/dbraw/zinc/87/92/41/706879241.db2.gz QVBCUKJTIVMIKJ-HNNXBMFYSA-N 2 1 348.495 1.171 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999365667 706879243 /nfs/dbraw/zinc/87/92/43/706879243.db2.gz QVBCUKJTIVMIKJ-HNNXBMFYSA-N 2 1 348.495 1.171 20 0 EDADMP Cc1oncc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999399647 706894179 /nfs/dbraw/zinc/89/41/79/706894179.db2.gz IXCFTNXLTRJMIP-IAGOWNOFSA-N 2 1 334.464 1.938 20 0 EDADMP Cn1cc(CC[NH2+][C@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)cn1 ZINC000999404033 706912674 /nfs/dbraw/zinc/91/26/74/706912674.db2.gz YUHYVJQBNVLWIY-ZWKOTPCHSA-N 2 1 347.507 1.418 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC000999404460 706913494 /nfs/dbraw/zinc/91/34/94/706913494.db2.gz WTQABICBLSDPSW-UHFFFAOYSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC000999404460 706913496 /nfs/dbraw/zinc/91/34/96/706913496.db2.gz WTQABICBLSDPSW-UHFFFAOYSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999410421 706920455 /nfs/dbraw/zinc/92/04/55/706920455.db2.gz XFQNRLIVVOYSTQ-RWBZWWBESA-N 2 1 330.476 1.811 20 0 EDADMP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)ccn1 ZINC000999507768 707005378 /nfs/dbraw/zinc/00/53/78/707005378.db2.gz DXGVEDRPNCYNGG-IRXDYDNUSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC000999508312 707005723 /nfs/dbraw/zinc/00/57/23/707005723.db2.gz IIMYQKSZIZOXTM-JQRITLKVSA-N 2 1 349.479 1.750 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](NCc2nnc(C3CC3)o2)C1 ZINC000999508976 707006254 /nfs/dbraw/zinc/00/62/54/707006254.db2.gz IBVVDBURPSADGJ-HUUCEWRRSA-N 2 1 347.463 1.512 20 0 EDADMP CN1CCCC[C@@H]1C(=O)N1CCC[C@@H](NCc2nnc(C3CC3)o2)C1 ZINC000999508976 707006260 /nfs/dbraw/zinc/00/62/60/707006260.db2.gz IBVVDBURPSADGJ-HUUCEWRRSA-N 2 1 347.463 1.512 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)ncn1 ZINC000999510760 707009181 /nfs/dbraw/zinc/00/91/81/707009181.db2.gz LYIRYMMUPCLFSJ-RDJZCZTQSA-N 2 1 331.464 1.350 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000999514043 707012866 /nfs/dbraw/zinc/01/28/66/707012866.db2.gz UEBUUTHGCRGRHH-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CC3)nn2C)C1)[NH+](C)C ZINC000999489689 707025816 /nfs/dbraw/zinc/02/58/16/707025816.db2.gz LOYCMFOQJMVCSU-LSDHHAIUSA-N 2 1 348.495 1.113 20 0 EDADMP O=C(N1CCC[C@H]([NH2+]Cc2ccon2)C1)C12CCC[NH+](CCC1)C2 ZINC000999490459 707026726 /nfs/dbraw/zinc/02/67/26/707026726.db2.gz PZAHVBQBSPSRDZ-INIZCTEOSA-N 2 1 332.448 1.631 20 0 EDADMP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033276711 707341226 /nfs/dbraw/zinc/34/12/26/707341226.db2.gz FPYVLMRSLHRLIN-DHADLLTHSA-N 2 1 335.492 1.428 20 0 EDADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033276711 707341230 /nfs/dbraw/zinc/34/12/30/707341230.db2.gz FPYVLMRSLHRLIN-DHADLLTHSA-N 2 1 335.492 1.428 20 0 EDADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033276711 707341234 /nfs/dbraw/zinc/34/12/34/707341234.db2.gz FPYVLMRSLHRLIN-DHADLLTHSA-N 2 1 335.492 1.428 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001033183561 707360646 /nfs/dbraw/zinc/36/06/46/707360646.db2.gz ZNJCWPMJVVMPLP-ROUUACIJSA-N 2 1 349.519 1.964 20 0 EDADMP CN(C)c1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000999838903 707411453 /nfs/dbraw/zinc/41/14/53/707411453.db2.gz YXJAHRFBSOOTFS-MUYFXNHWSA-N 2 1 344.503 1.783 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001033317581 707504976 /nfs/dbraw/zinc/50/49/76/707504976.db2.gz BOBZHUYMYWBBTE-DLBZAZTESA-N 2 1 337.508 1.963 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000999874111 707518331 /nfs/dbraw/zinc/51/83/31/707518331.db2.gz XKXBXRFXQJHWOH-MRXNPFEDSA-N 2 1 345.491 1.740 20 0 EDADMP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365153 707658807 /nfs/dbraw/zinc/65/88/07/707658807.db2.gz LWDGZTMALFEBPB-MSOLQXFVSA-N 2 1 337.508 1.963 20 0 EDADMP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365153 707658809 /nfs/dbraw/zinc/65/88/09/707658809.db2.gz LWDGZTMALFEBPB-MSOLQXFVSA-N 2 1 337.508 1.963 20 0 EDADMP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365153 707658813 /nfs/dbraw/zinc/65/88/13/707658813.db2.gz LWDGZTMALFEBPB-MSOLQXFVSA-N 2 1 337.508 1.963 20 0 EDADMP CN(C(=O)[C@@H]1COCCN1C1CCCC1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033365932 707661307 /nfs/dbraw/zinc/66/13/07/707661307.db2.gz RQOLYAPBPKOQDF-OALUTQOASA-N 2 1 349.519 1.963 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCOCC3)C2)CC[N@H+]1C ZINC001033359123 707684555 /nfs/dbraw/zinc/68/45/55/707684555.db2.gz UYJMJFJQCKXDDF-RYQLBKOJSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CCOCC3)C2)CC[NH+]1C ZINC001033359123 707684559 /nfs/dbraw/zinc/68/45/59/707684559.db2.gz UYJMJFJQCKXDDF-RYQLBKOJSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC[NH+]1C ZINC001033359123 707684561 /nfs/dbraw/zinc/68/45/61/707684561.db2.gz UYJMJFJQCKXDDF-RYQLBKOJSA-N 2 1 337.508 1.676 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033395369 707733114 /nfs/dbraw/zinc/73/31/14/707733114.db2.gz ILKNXGPDHUHYKF-GOSISDBHSA-N 2 1 337.508 1.678 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)sn1 ZINC001033419088 707804543 /nfs/dbraw/zinc/80/45/43/707804543.db2.gz GSYWNJAAEKMWAN-UKRRQHHQSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)sn1 ZINC001033419088 707804547 /nfs/dbraw/zinc/80/45/47/707804547.db2.gz GSYWNJAAEKMWAN-UKRRQHHQSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)sn1 ZINC001033419088 707804550 /nfs/dbraw/zinc/80/45/50/707804550.db2.gz GSYWNJAAEKMWAN-UKRRQHHQSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)sn1 ZINC001033419088 707804553 /nfs/dbraw/zinc/80/45/53/707804553.db2.gz GSYWNJAAEKMWAN-UKRRQHHQSA-N 2 1 336.505 1.826 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)o1 ZINC001000184741 707819883 /nfs/dbraw/zinc/81/98/83/707819883.db2.gz OUHWPIXGAIOYAQ-GJZGRUSLSA-N 2 1 334.464 1.802 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)o1 ZINC001000184741 707819886 /nfs/dbraw/zinc/81/98/86/707819886.db2.gz OUHWPIXGAIOYAQ-GJZGRUSLSA-N 2 1 334.464 1.802 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033425994 707846395 /nfs/dbraw/zinc/84/63/95/707846395.db2.gz MNDCUYHGHDQVRY-MRXNPFEDSA-N 2 1 333.480 1.185 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033425994 707846397 /nfs/dbraw/zinc/84/63/97/707846397.db2.gz MNDCUYHGHDQVRY-MRXNPFEDSA-N 2 1 333.480 1.185 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033425994 707846399 /nfs/dbraw/zinc/84/63/99/707846399.db2.gz MNDCUYHGHDQVRY-MRXNPFEDSA-N 2 1 333.480 1.185 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033425994 707846400 /nfs/dbraw/zinc/84/64/00/707846400.db2.gz MNDCUYHGHDQVRY-MRXNPFEDSA-N 2 1 333.480 1.185 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426123 707847029 /nfs/dbraw/zinc/84/70/29/707847029.db2.gz NMBJSBTWLKPKLP-INIZCTEOSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426123 707847033 /nfs/dbraw/zinc/84/70/33/707847033.db2.gz NMBJSBTWLKPKLP-INIZCTEOSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033426123 707847034 /nfs/dbraw/zinc/84/70/34/707847034.db2.gz NMBJSBTWLKPKLP-INIZCTEOSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033426123 707847037 /nfs/dbraw/zinc/84/70/37/707847037.db2.gz NMBJSBTWLKPKLP-INIZCTEOSA-N 2 1 334.464 1.748 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033427247 707851517 /nfs/dbraw/zinc/85/15/17/707851517.db2.gz ZBGIBACTPCMVPQ-INIZCTEOSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033427247 707851520 /nfs/dbraw/zinc/85/15/20/707851520.db2.gz ZBGIBACTPCMVPQ-INIZCTEOSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033427247 707851523 /nfs/dbraw/zinc/85/15/23/707851523.db2.gz ZBGIBACTPCMVPQ-INIZCTEOSA-N 2 1 337.508 1.820 20 0 EDADMP CCn1ccc(CN[C@@H](C)[C@H]2CCCCN2C(=O)Cn2ccnc2)n1 ZINC001005007455 707917185 /nfs/dbraw/zinc/91/71/85/707917185.db2.gz DNPKUJIURPVMEF-DOTOQJQBSA-N 2 1 344.463 1.659 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc3c(c2)CCC3)C1 ZINC001032781353 707970204 /nfs/dbraw/zinc/97/02/04/707970204.db2.gz RTHOJCCVASONDO-UFYCRDLUSA-N 2 1 339.483 1.912 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc3c(c2)CCC3)C1 ZINC001032781353 707970206 /nfs/dbraw/zinc/97/02/06/707970206.db2.gz RTHOJCCVASONDO-UFYCRDLUSA-N 2 1 339.483 1.912 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc3c(c2)CCC3)C1 ZINC001032781353 707970207 /nfs/dbraw/zinc/97/02/07/707970207.db2.gz RTHOJCCVASONDO-UFYCRDLUSA-N 2 1 339.483 1.912 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc3c(c2)CCC3)C1 ZINC001032781353 707970209 /nfs/dbraw/zinc/97/02/09/707970209.db2.gz RTHOJCCVASONDO-UFYCRDLUSA-N 2 1 339.483 1.912 20 0 EDADMP Cc1cccc(OCC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)c1 ZINC001032782437 707972974 /nfs/dbraw/zinc/97/29/74/707972974.db2.gz DITLCMZDZHRRLA-ROUUACIJSA-N 2 1 343.471 1.755 20 0 EDADMP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001033490952 707985532 /nfs/dbraw/zinc/98/55/32/707985532.db2.gz YZOARFPSHLBXEN-DRDHIDPGSA-N 2 1 339.871 1.344 20 0 EDADMP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001033490952 707985535 /nfs/dbraw/zinc/98/55/35/707985535.db2.gz YZOARFPSHLBXEN-DRDHIDPGSA-N 2 1 339.871 1.344 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC001000521759 708039768 /nfs/dbraw/zinc/03/97/68/708039768.db2.gz NSYDHBBVFCSTKS-MOPGFXCFSA-N 2 1 349.519 1.770 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NCC1=CC[N@H+](C[C@H](O)C2CCCCC2)CC1 ZINC001000521759 708039769 /nfs/dbraw/zinc/03/97/69/708039769.db2.gz NSYDHBBVFCSTKS-MOPGFXCFSA-N 2 1 349.519 1.770 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NCC1=CC[N@@H+](C[C@H](O)C2CCCCC2)CC1 ZINC001000521759 708039771 /nfs/dbraw/zinc/03/97/71/708039771.db2.gz NSYDHBBVFCSTKS-MOPGFXCFSA-N 2 1 349.519 1.770 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001001537727 708161907 /nfs/dbraw/zinc/16/19/07/708161907.db2.gz CIZOWTWRICABRN-MAUKXSAKSA-N 2 1 345.491 1.850 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001033593403 708293064 /nfs/dbraw/zinc/29/30/64/708293064.db2.gz MCHLLGGYUJAAFM-INIZCTEOSA-N 2 1 344.459 1.219 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001033593403 708293067 /nfs/dbraw/zinc/29/30/67/708293067.db2.gz MCHLLGGYUJAAFM-INIZCTEOSA-N 2 1 344.459 1.219 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CC2CCOCC2)CC1 ZINC001001824128 708326222 /nfs/dbraw/zinc/32/62/22/708326222.db2.gz BUCUHRLLGABZJJ-QAPCUYQASA-N 2 1 337.508 1.439 20 0 EDADMP Cc1nc[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001033615906 708341320 /nfs/dbraw/zinc/34/13/20/708341320.db2.gz DAIZWFSVSVJYGH-HZPDHXFCSA-N 2 1 334.464 1.610 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC001033654378 708421990 /nfs/dbraw/zinc/42/19/90/708421990.db2.gz ATANYXACTYKGKH-QZTJIDSGSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC001033654378 708421991 /nfs/dbraw/zinc/42/19/91/708421991.db2.gz ATANYXACTYKGKH-QZTJIDSGSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC001033654378 708421993 /nfs/dbraw/zinc/42/19/93/708421993.db2.gz ATANYXACTYKGKH-QZTJIDSGSA-N 2 1 337.508 1.678 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)c1 ZINC001033656851 708426576 /nfs/dbraw/zinc/42/65/76/708426576.db2.gz FUOKIOQTYHWZHM-QGZVFWFLSA-N 2 1 342.443 1.933 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)c1 ZINC001033656851 708426578 /nfs/dbraw/zinc/42/65/78/708426578.db2.gz FUOKIOQTYHWZHM-QGZVFWFLSA-N 2 1 342.443 1.933 20 0 EDADMP COc1ccc(CC[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001033666794 708453130 /nfs/dbraw/zinc/45/31/30/708453130.db2.gz ZKPWQANNDYROLX-SFHVURJKSA-N 2 1 345.487 1.866 20 0 EDADMP Cc1ncsc1CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033668527 708457504 /nfs/dbraw/zinc/45/75/04/708457504.db2.gz NHUXOYXZVXESMH-HNNXBMFYSA-N 2 1 347.488 1.732 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033668527 708457506 /nfs/dbraw/zinc/45/75/06/708457506.db2.gz NHUXOYXZVXESMH-HNNXBMFYSA-N 2 1 347.488 1.732 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC001033672383 708464014 /nfs/dbraw/zinc/46/40/14/708464014.db2.gz PFPCAFVHJZZMFH-MOPGFXCFSA-N 2 1 345.487 1.483 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC001033672383 708464018 /nfs/dbraw/zinc/46/40/18/708464018.db2.gz PFPCAFVHJZZMFH-MOPGFXCFSA-N 2 1 345.487 1.483 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001033672383 708464022 /nfs/dbraw/zinc/46/40/22/708464022.db2.gz PFPCAFVHJZZMFH-MOPGFXCFSA-N 2 1 345.487 1.483 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001033672383 708464024 /nfs/dbraw/zinc/46/40/24/708464024.db2.gz PFPCAFVHJZZMFH-MOPGFXCFSA-N 2 1 345.487 1.483 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033658703 708469854 /nfs/dbraw/zinc/46/98/54/708469854.db2.gz BIQSGQWPDIRTSC-IAGOWNOFSA-N 2 1 331.460 1.680 20 0 EDADMP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001033658703 708469855 /nfs/dbraw/zinc/46/98/55/708469855.db2.gz BIQSGQWPDIRTSC-IAGOWNOFSA-N 2 1 331.460 1.680 20 0 EDADMP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033658703 708469856 /nfs/dbraw/zinc/46/98/56/708469856.db2.gz BIQSGQWPDIRTSC-IAGOWNOFSA-N 2 1 331.460 1.680 20 0 EDADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685400 708499163 /nfs/dbraw/zinc/49/91/63/708499163.db2.gz SQAIWOIYFNZGPX-RHSMWYFYSA-N 2 1 346.475 1.029 20 0 EDADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685400 708499166 /nfs/dbraw/zinc/49/91/66/708499166.db2.gz SQAIWOIYFNZGPX-RHSMWYFYSA-N 2 1 346.475 1.029 20 0 EDADMP CCc1cnc(CN2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002119468 708632444 /nfs/dbraw/zinc/63/24/44/708632444.db2.gz ALMNPHUFIADWIE-HNNXBMFYSA-N 2 1 334.464 1.517 20 0 EDADMP CCc1cnc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002119468 708632446 /nfs/dbraw/zinc/63/24/46/708632446.db2.gz ALMNPHUFIADWIE-HNNXBMFYSA-N 2 1 334.464 1.517 20 0 EDADMP CCc1cnc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002119468 708632448 /nfs/dbraw/zinc/63/24/48/708632448.db2.gz ALMNPHUFIADWIE-HNNXBMFYSA-N 2 1 334.464 1.517 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002119751 708632864 /nfs/dbraw/zinc/63/28/64/708632864.db2.gz DNSWOMQLHUFLIG-INIZCTEOSA-N 2 1 333.480 1.008 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001005384258 708821159 /nfs/dbraw/zinc/82/11/59/708821159.db2.gz KECKMFHLKGEKIS-SFHVURJKSA-N 2 1 347.507 1.716 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000921935009 709054267 /nfs/dbraw/zinc/05/42/67/709054267.db2.gz IGEDLFXOMIWKNB-ZSYWTGECSA-N 2 1 342.487 1.900 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000921935009 709054270 /nfs/dbraw/zinc/05/42/70/709054270.db2.gz IGEDLFXOMIWKNB-ZSYWTGECSA-N 2 1 342.487 1.900 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000921935009 709054273 /nfs/dbraw/zinc/05/42/73/709054273.db2.gz IGEDLFXOMIWKNB-ZSYWTGECSA-N 2 1 342.487 1.900 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[NH+](CCCO)C2)C1 ZINC001033932057 709099236 /nfs/dbraw/zinc/09/92/36/709099236.db2.gz GCORHASQVGCTQJ-IRXDYDNUSA-N 2 1 325.497 1.414 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001033932057 709099240 /nfs/dbraw/zinc/09/92/40/709099240.db2.gz GCORHASQVGCTQJ-IRXDYDNUSA-N 2 1 325.497 1.414 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001033932057 709099241 /nfs/dbraw/zinc/09/92/41/709099241.db2.gz GCORHASQVGCTQJ-IRXDYDNUSA-N 2 1 325.497 1.414 20 0 EDADMP COC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005493482 709215627 /nfs/dbraw/zinc/21/56/27/709215627.db2.gz RZPOZQOMWUOQRR-IRXDYDNUSA-N 2 1 339.524 1.922 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001034040675 709271704 /nfs/dbraw/zinc/27/17/04/709271704.db2.gz VVIZAIDDOVAHLQ-JKSUJKDBSA-N 2 1 346.475 1.927 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001034040675 709271706 /nfs/dbraw/zinc/27/17/06/709271706.db2.gz VVIZAIDDOVAHLQ-JKSUJKDBSA-N 2 1 346.475 1.927 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001034040675 709271710 /nfs/dbraw/zinc/27/17/10/709271710.db2.gz VVIZAIDDOVAHLQ-JKSUJKDBSA-N 2 1 346.475 1.927 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001034040675 709271714 /nfs/dbraw/zinc/27/17/14/709271714.db2.gz VVIZAIDDOVAHLQ-JKSUJKDBSA-N 2 1 346.475 1.927 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001034047751 709301233 /nfs/dbraw/zinc/30/12/33/709301233.db2.gz KFUHKXIARMZYAO-IRXDYDNUSA-N 2 1 325.497 1.676 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001034047751 709301237 /nfs/dbraw/zinc/30/12/37/709301237.db2.gz KFUHKXIARMZYAO-IRXDYDNUSA-N 2 1 325.497 1.676 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001034047751 709301241 /nfs/dbraw/zinc/30/12/41/709301241.db2.gz KFUHKXIARMZYAO-IRXDYDNUSA-N 2 1 325.497 1.676 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001034047751 709301245 /nfs/dbraw/zinc/30/12/45/709301245.db2.gz KFUHKXIARMZYAO-IRXDYDNUSA-N 2 1 325.497 1.676 20 0 EDADMP COCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005503886 709328820 /nfs/dbraw/zinc/32/88/20/709328820.db2.gz KTJWEVHJCWOPOX-GOSISDBHSA-N 2 1 337.508 1.963 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cncn3C)C2)CC[N@@H+]1C ZINC001034216232 709571559 /nfs/dbraw/zinc/57/15/59/709571559.db2.gz FWHJUPSSPGZPAC-BPQIPLTHSA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cncn3C)C2)CC[N@H+]1C ZINC001034216232 709571561 /nfs/dbraw/zinc/57/15/61/709571561.db2.gz FWHJUPSSPGZPAC-BPQIPLTHSA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cncn3C)C2)CC[NH+]1C ZINC001034216232 709571563 /nfs/dbraw/zinc/57/15/63/709571563.db2.gz FWHJUPSSPGZPAC-BPQIPLTHSA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cncn3C)C2)CC[NH+]1C ZINC001034216232 709571564 /nfs/dbraw/zinc/57/15/64/709571564.db2.gz FWHJUPSSPGZPAC-BPQIPLTHSA-N 2 1 347.507 1.621 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034240128 709623513 /nfs/dbraw/zinc/62/35/13/709623513.db2.gz PIOVHVBOVNRTSZ-SJLPKXTDSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034240128 709623514 /nfs/dbraw/zinc/62/35/14/709623514.db2.gz PIOVHVBOVNRTSZ-SJLPKXTDSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccnn2C)C1 ZINC001034240128 709623515 /nfs/dbraw/zinc/62/35/15/709623515.db2.gz PIOVHVBOVNRTSZ-SJLPKXTDSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccnn2C)C1 ZINC001034240128 709623517 /nfs/dbraw/zinc/62/35/17/709623517.db2.gz PIOVHVBOVNRTSZ-SJLPKXTDSA-N 2 1 347.507 1.765 20 0 EDADMP COC[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001034260857 709647922 /nfs/dbraw/zinc/64/79/22/709647922.db2.gz PRMLBHPTJMBXSB-JKSUJKDBSA-N 2 1 336.480 1.932 20 0 EDADMP CO[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310035 709753008 /nfs/dbraw/zinc/75/30/08/709753008.db2.gz RZSIAPHSDXLAKZ-HOCLYGCPSA-N 2 1 330.432 1.954 20 0 EDADMP O=C(NC1CC[NH+](CC[C@H]2CCCO2)CC1)[C@@H]1CCCc2[nH+]ccn21 ZINC001003016763 709805078 /nfs/dbraw/zinc/80/50/78/709805078.db2.gz OWGPBYXAKBRSJK-SJORKVTESA-N 2 1 346.475 1.910 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001003229417 710150676 /nfs/dbraw/zinc/15/06/76/710150676.db2.gz GGPDYXSFFYKZHZ-SFHVURJKSA-N 2 1 347.507 1.621 20 0 EDADMP COc1ccnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001034525439 710175637 /nfs/dbraw/zinc/17/56/37/710175637.db2.gz MSMHCCDLTNWWPZ-JKSUJKDBSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001034525439 710175639 /nfs/dbraw/zinc/17/56/39/710175639.db2.gz MSMHCCDLTNWWPZ-JKSUJKDBSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccnc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001034525439 710175640 /nfs/dbraw/zinc/17/56/40/710175640.db2.gz MSMHCCDLTNWWPZ-JKSUJKDBSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccnc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001034525439 710175643 /nfs/dbraw/zinc/17/56/43/710175643.db2.gz MSMHCCDLTNWWPZ-JKSUJKDBSA-N 2 1 346.475 1.513 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CCOCC3)C2)C1 ZINC001034526483 710178474 /nfs/dbraw/zinc/17/84/74/710178474.db2.gz YPLKWXNZSLNIST-QZTJIDSGSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCC3CCOCC3)C2)C1 ZINC001034526483 710178476 /nfs/dbraw/zinc/17/84/76/710178476.db2.gz YPLKWXNZSLNIST-QZTJIDSGSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC3CCOCC3)C2)C1 ZINC001034526483 710178477 /nfs/dbraw/zinc/17/84/77/710178477.db2.gz YPLKWXNZSLNIST-QZTJIDSGSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001034529571 710184622 /nfs/dbraw/zinc/18/46/22/710184622.db2.gz JNYCZIFKTHKSFO-MSOLQXFVSA-N 2 1 348.491 1.979 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001034529571 710184625 /nfs/dbraw/zinc/18/46/25/710184625.db2.gz JNYCZIFKTHKSFO-MSOLQXFVSA-N 2 1 348.491 1.979 20 0 EDADMP CCc1noc(C)c1C[NH+]1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001003312361 710240970 /nfs/dbraw/zinc/24/09/70/710240970.db2.gz LNOAVPYKSGTXIB-UHFFFAOYSA-N 2 1 345.447 1.831 20 0 EDADMP CCCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001034607841 710277105 /nfs/dbraw/zinc/27/71/05/710277105.db2.gz ALIAQXCVLJDVGM-RBSFLKMASA-N 2 1 349.479 1.633 20 0 EDADMP CCCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001034607841 710277106 /nfs/dbraw/zinc/27/71/06/710277106.db2.gz ALIAQXCVLJDVGM-RBSFLKMASA-N 2 1 349.479 1.633 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001034612513 710287202 /nfs/dbraw/zinc/28/72/02/710287202.db2.gz RRFMGQDPMCZPNX-BFYDXBDKSA-N 2 1 346.475 1.701 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)ncn1 ZINC001034647330 710323494 /nfs/dbraw/zinc/32/34/94/710323494.db2.gz FMJQMWOSHBQQDX-YFHUEUNASA-N 2 1 345.491 1.642 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032841586 710331687 /nfs/dbraw/zinc/33/16/87/710331687.db2.gz IYCNOCXQJIBUSQ-CGTJXYLNSA-N 2 1 331.460 1.252 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032841586 710331690 /nfs/dbraw/zinc/33/16/90/710331690.db2.gz IYCNOCXQJIBUSQ-CGTJXYLNSA-N 2 1 331.460 1.252 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032841586 710331693 /nfs/dbraw/zinc/33/16/93/710331693.db2.gz IYCNOCXQJIBUSQ-CGTJXYLNSA-N 2 1 331.460 1.252 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034658234 710342714 /nfs/dbraw/zinc/34/27/14/710342714.db2.gz BQYNNDNMSVRDRV-BRWVUGGUSA-N 2 1 345.491 1.868 20 0 EDADMP CC[C@@H](F)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001003497318 710382192 /nfs/dbraw/zinc/38/21/92/710382192.db2.gz SSYPLMHHACHZLK-ZBFHGGJFSA-N 2 1 329.460 1.424 20 0 EDADMP CC[C@@H](F)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001003497318 710382195 /nfs/dbraw/zinc/38/21/95/710382195.db2.gz SSYPLMHHACHZLK-ZBFHGGJFSA-N 2 1 329.460 1.424 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000922189691 710391187 /nfs/dbraw/zinc/39/11/87/710391187.db2.gz BOYYAMPDQAWUDN-MSOLQXFVSA-N 2 1 346.475 1.281 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000922189691 710391189 /nfs/dbraw/zinc/39/11/89/710391189.db2.gz BOYYAMPDQAWUDN-MSOLQXFVSA-N 2 1 346.475 1.281 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000922189691 710391192 /nfs/dbraw/zinc/39/11/92/710391192.db2.gz BOYYAMPDQAWUDN-MSOLQXFVSA-N 2 1 346.475 1.281 20 0 EDADMP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)[C@H]1CCCc2[nH]cnc21 ZINC001003606473 710446683 /nfs/dbraw/zinc/44/66/83/710446683.db2.gz MOHGVVAPUYWHRB-ZBFHGGJFSA-N 2 1 346.475 1.837 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccc(F)cn3)CC2)C1 ZINC001003625269 710454440 /nfs/dbraw/zinc/45/44/40/710454440.db2.gz DPOHMXUBWGKWJS-CQSZACIVSA-N 2 1 334.439 1.643 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccc(F)cn3)CC2)C1 ZINC001003625269 710454441 /nfs/dbraw/zinc/45/44/41/710454441.db2.gz DPOHMXUBWGKWJS-CQSZACIVSA-N 2 1 334.439 1.643 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncn2C)CC1 ZINC001034659444 710588636 /nfs/dbraw/zinc/58/86/36/710588636.db2.gz UTKMWZJOISPKNR-BZUAXINKSA-N 2 1 348.495 1.207 20 0 EDADMP CC1CC(C[NH+]2CCC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001005581224 710612999 /nfs/dbraw/zinc/61/29/99/710612999.db2.gz JQYCNKWKJDJRBH-HDWXEKECSA-N 2 1 337.508 1.674 20 0 EDADMP CC1CC(C[NH+]2CCC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001005581224 710613001 /nfs/dbraw/zinc/61/30/01/710613001.db2.gz JQYCNKWKJDJRBH-HDWXEKECSA-N 2 1 337.508 1.674 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001034693290 710783194 /nfs/dbraw/zinc/78/31/94/710783194.db2.gz WAWYOWCXERGYMT-HDJSIYSDSA-N 2 1 333.461 1.865 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001034735857 710922273 /nfs/dbraw/zinc/92/22/73/710922273.db2.gz OBTDIEMJJMFXLU-JQFCIGGWSA-N 2 1 334.464 1.984 20 0 EDADMP Cn1nccc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001034736187 710922643 /nfs/dbraw/zinc/92/26/43/710922643.db2.gz RZOMELKOAKGCEO-WKILWMFISA-N 2 1 347.507 1.669 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1 ZINC001034738199 710953031 /nfs/dbraw/zinc/95/30/31/710953031.db2.gz RFMCJTRRGLJFKE-ABHRYQDASA-N 2 1 337.493 1.253 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1 ZINC001034738199 710953036 /nfs/dbraw/zinc/95/30/36/710953036.db2.gz RFMCJTRRGLJFKE-ABHRYQDASA-N 2 1 337.493 1.253 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001032960123 710966537 /nfs/dbraw/zinc/96/65/37/710966537.db2.gz NPNODUYGVXAKLT-AEFFLSMTSA-N 2 1 331.460 1.692 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCOc2ccccc2)C1 ZINC001032960123 710966542 /nfs/dbraw/zinc/96/65/42/710966542.db2.gz NPNODUYGVXAKLT-AEFFLSMTSA-N 2 1 331.460 1.692 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCOc2ccccc2)C1 ZINC001032960123 710966548 /nfs/dbraw/zinc/96/65/48/710966548.db2.gz NPNODUYGVXAKLT-AEFFLSMTSA-N 2 1 331.460 1.692 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3cncn3C)CC2)n1 ZINC001034775463 711048473 /nfs/dbraw/zinc/04/84/73/711048473.db2.gz ACRPNNSHBTWJPO-JOCQHMNTSA-N 2 1 346.435 1.125 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ncccn3)CC2)C1 ZINC001034779949 711065389 /nfs/dbraw/zinc/06/53/89/711065389.db2.gz ZAORJEMPMRGHRY-BZUAXINKSA-N 2 1 331.464 1.335 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001032975688 711067621 /nfs/dbraw/zinc/06/76/21/711067621.db2.gz KEHAZCVOAKEVQI-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001032975688 711067626 /nfs/dbraw/zinc/06/76/26/711067626.db2.gz KEHAZCVOAKEVQI-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001032975688 711067627 /nfs/dbraw/zinc/06/76/27/711067627.db2.gz KEHAZCVOAKEVQI-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001032975688 711067633 /nfs/dbraw/zinc/06/76/33/711067633.db2.gz KEHAZCVOAKEVQI-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001034785394 711087829 /nfs/dbraw/zinc/08/78/29/711087829.db2.gz UYEOOPQBXMVSSV-BJLQDIEVSA-N 2 1 349.519 1.916 20 0 EDADMP CCc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)nc(C)[nH+]1 ZINC001061363946 711138127 /nfs/dbraw/zinc/13/81/27/711138127.db2.gz ALCJDAUKEDSMRP-HOCLYGCPSA-N 2 1 331.464 1.384 20 0 EDADMP CCc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)nc(C)[nH+]1 ZINC001061363946 711138129 /nfs/dbraw/zinc/13/81/29/711138129.db2.gz ALCJDAUKEDSMRP-HOCLYGCPSA-N 2 1 331.464 1.384 20 0 EDADMP Cc1csc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001003980646 711162947 /nfs/dbraw/zinc/16/29/47/711162947.db2.gz VGVWRJIKQMEUEC-UHFFFAOYSA-N 2 1 334.489 1.628 20 0 EDADMP Cn1ccnc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001034812125 711179458 /nfs/dbraw/zinc/17/94/58/711179458.db2.gz HJVQXIBMGAXRCX-KRWDZBQOSA-N 2 1 341.459 1.420 20 0 EDADMP Cn1ccnc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001034812125 711179460 /nfs/dbraw/zinc/17/94/60/711179460.db2.gz HJVQXIBMGAXRCX-KRWDZBQOSA-N 2 1 341.459 1.420 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH2+]CC3CCC3)cc2)C1 ZINC001034831974 711238441 /nfs/dbraw/zinc/23/84/41/711238441.db2.gz HXTJXTCAIGSFLU-IBGZPJMESA-N 2 1 345.487 1.913 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH2+]CC3CCC3)cc2)C1 ZINC001034831974 711238443 /nfs/dbraw/zinc/23/84/43/711238443.db2.gz HXTJXTCAIGSFLU-IBGZPJMESA-N 2 1 345.487 1.913 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC001034934737 711361323 /nfs/dbraw/zinc/36/13/23/711361323.db2.gz VKNWPZVUANJGOW-MSOLQXFVSA-N 2 1 345.491 1.738 20 0 EDADMP CCn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001034936043 711364287 /nfs/dbraw/zinc/36/42/87/711364287.db2.gz IAQWZAADZBUSBA-SJORKVTESA-N 2 1 348.495 1.251 20 0 EDADMP CCn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)n1 ZINC001034936043 711364290 /nfs/dbraw/zinc/36/42/90/711364290.db2.gz IAQWZAADZBUSBA-SJORKVTESA-N 2 1 348.495 1.251 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001034953727 711418583 /nfs/dbraw/zinc/41/85/83/711418583.db2.gz HMUCDCPOZHFYAB-IAGOWNOFSA-N 2 1 333.480 1.375 20 0 EDADMP Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCc3[nH+]ccn32)cn1 ZINC001034958260 711431551 /nfs/dbraw/zinc/43/15/51/711431551.db2.gz FNOBYNJWCBIFND-HZPDHXFCSA-N 2 1 342.447 1.275 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]Cc1ccns1 ZINC001034958304 711431600 /nfs/dbraw/zinc/43/16/00/711431600.db2.gz HAAQGCVNZCIZJH-HIFRSBDPSA-N 2 1 345.472 1.998 20 0 EDADMP CCc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)o1 ZINC001034959509 711434231 /nfs/dbraw/zinc/43/42/31/711434231.db2.gz ZRDMGSRDZWPZQL-PBHICJAKSA-N 2 1 334.464 1.658 20 0 EDADMP CCn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)n1 ZINC001034936670 711436891 /nfs/dbraw/zinc/43/68/91/711436891.db2.gz UWVUULBEDZFFGL-QZTJIDSGSA-N 2 1 347.507 1.856 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(CC(F)F)c1)C2 ZINC000922389700 711438353 /nfs/dbraw/zinc/43/83/53/711438353.db2.gz JJOXUQXEPZTHPN-TXCZRRACSA-N 2 1 342.434 1.718 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncccn2)CC[N@@H+]1C ZINC001034941229 711445569 /nfs/dbraw/zinc/44/55/69/711445569.db2.gz NKDYQUKPCZAQQG-OWCLPIDISA-N 2 1 331.464 1.288 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncccn2)CC[N@H+]1C ZINC001034941229 711445571 /nfs/dbraw/zinc/44/55/71/711445571.db2.gz NKDYQUKPCZAQQG-OWCLPIDISA-N 2 1 331.464 1.288 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncnn1C(C)C)[NH+](C)C ZINC001034971705 711451645 /nfs/dbraw/zinc/45/16/45/711451645.db2.gz UNCORUHTJYZIGU-HUUCEWRRSA-N 2 1 336.484 1.280 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](CCC2CCOCC2)CC1 ZINC001004151666 711569432 /nfs/dbraw/zinc/56/94/32/711569432.db2.gz KSHYDFFOGSAMOM-UHFFFAOYSA-N 2 1 334.464 1.589 20 0 EDADMP CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033163805 712273390 /nfs/dbraw/zinc/27/33/90/712273390.db2.gz SWQCDBKAGCROGC-GVDBMIGSSA-N 2 1 346.475 1.863 20 0 EDADMP CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033163805 712273394 /nfs/dbraw/zinc/27/33/94/712273394.db2.gz SWQCDBKAGCROGC-GVDBMIGSSA-N 2 1 346.475 1.863 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000372478809 282120015 /nfs/dbraw/zinc/12/00/15/282120015.db2.gz WXCCVEPPEVKSKD-ULQDDVLXSA-N 2 1 338.496 1.223 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000559463545 306255377 /nfs/dbraw/zinc/25/53/77/306255377.db2.gz WALQUCPWYZZBFV-HNNXBMFYSA-N 2 1 325.478 1.368 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000169212222 529980355 /nfs/dbraw/zinc/98/03/55/529980355.db2.gz QLHOHXKDBWJDOL-PBHICJAKSA-N 2 1 346.475 1.647 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H](O)CN2CC([NH+](C)Cc3ccccc3)C2)C[C@H](C)O1 ZINC000349111013 539396816 /nfs/dbraw/zinc/39/68/16/539396816.db2.gz VLUPPWBYNPYPDC-FUHIMQAGSA-N 2 1 347.503 1.273 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CC([N@H+](C)Cc3ccccc3)C2)C[C@H](C)O1 ZINC000349111013 539396822 /nfs/dbraw/zinc/39/68/22/539396822.db2.gz VLUPPWBYNPYPDC-FUHIMQAGSA-N 2 1 347.503 1.273 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CC([N@@H+](C)Cc3ccccc3)C2)C[C@H](C)O1 ZINC000349111013 539396827 /nfs/dbraw/zinc/39/68/27/539396827.db2.gz VLUPPWBYNPYPDC-FUHIMQAGSA-N 2 1 347.503 1.273 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000171764464 530067727 /nfs/dbraw/zinc/06/77/27/530067727.db2.gz TXIJTJXMYWPOOM-UHFFFAOYSA-N 2 1 347.431 1.989 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000178001124 232055570 /nfs/dbraw/zinc/05/55/70/232055570.db2.gz AXLITDVVWXVDKH-WBVHZDCISA-N 2 1 344.459 1.560 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000178001124 232055573 /nfs/dbraw/zinc/05/55/73/232055573.db2.gz AXLITDVVWXVDKH-WBVHZDCISA-N 2 1 344.459 1.560 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000412423672 304006601 /nfs/dbraw/zinc/00/66/01/304006601.db2.gz UFGNPZBYSARSHU-NVXWUHKLSA-N 2 1 325.497 1.628 20 0 EDADMP c1cnc(N2CCN(CCC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000339066705 539700050 /nfs/dbraw/zinc/70/00/50/539700050.db2.gz DMAYSUGEVZDANV-MSOLQXFVSA-N 2 1 344.507 1.205 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCN1CCOC(C)(C)C1 ZINC000562619419 306303092 /nfs/dbraw/zinc/30/30/92/306303092.db2.gz JFKOUYKZMGYHRW-HNNXBMFYSA-N 2 1 340.512 1.517 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)[N@@H+](C)C1 ZINC000345888296 539842041 /nfs/dbraw/zinc/84/20/41/539842041.db2.gz NPYRINHDOBWXKK-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000347329547 539863966 /nfs/dbraw/zinc/86/39/66/539863966.db2.gz YKSRHZQUZRDISJ-WKULXVSPSA-N 2 1 325.497 1.015 20 0 EDADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000347329547 539863972 /nfs/dbraw/zinc/86/39/72/539863972.db2.gz YKSRHZQUZRDISJ-WKULXVSPSA-N 2 1 325.497 1.015 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000154814650 539901705 /nfs/dbraw/zinc/90/17/05/539901705.db2.gz PRDHQFXZCWZYEI-CQSZACIVSA-N 2 1 330.436 1.424 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2([NH3+])C[C@@H](OCC)C2(C)C)C1 ZINC000249074475 283061761 /nfs/dbraw/zinc/06/17/61/283061761.db2.gz NEDLBZPWSHPEDJ-HDMKZQKVSA-N 2 1 325.497 1.709 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000175236381 283171362 /nfs/dbraw/zinc/17/13/62/283171362.db2.gz KGVWGBWNDJDOJY-QGZVFWFLSA-N 2 1 341.544 1.290 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000175236381 283171363 /nfs/dbraw/zinc/17/13/63/283171363.db2.gz KGVWGBWNDJDOJY-QGZVFWFLSA-N 2 1 341.544 1.290 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000175236381 283171365 /nfs/dbraw/zinc/17/13/65/283171365.db2.gz KGVWGBWNDJDOJY-QGZVFWFLSA-N 2 1 341.544 1.290 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000079599064 138262253 /nfs/dbraw/zinc/26/22/53/138262253.db2.gz QXPMJPRMSSEWOW-HZPDHXFCSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](CN1CCOCC1)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000091510000 138284070 /nfs/dbraw/zinc/28/40/70/138284070.db2.gz RXAUYBDCBKDASJ-QRVBRYPASA-N 2 1 338.540 1.198 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105070280 138300802 /nfs/dbraw/zinc/30/08/02/138300802.db2.gz KELSFBBBWZDVRR-QGZVFWFLSA-N 2 1 338.496 1.369 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)CC1 ZINC000092587803 138289898 /nfs/dbraw/zinc/28/98/98/138289898.db2.gz PQLLHFSFFCQLNI-INIZCTEOSA-N 2 1 348.491 1.028 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)CC1 ZINC000092587803 138289899 /nfs/dbraw/zinc/28/98/99/138289899.db2.gz PQLLHFSFFCQLNI-INIZCTEOSA-N 2 1 348.491 1.028 20 0 EDADMP CCO[C@H]1C[C@@H]([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000093605300 138293922 /nfs/dbraw/zinc/29/39/22/138293922.db2.gz MMOWSWSLDMQLLQ-SJORKVTESA-N 2 1 347.507 1.864 20 0 EDADMP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000093605300 138293923 /nfs/dbraw/zinc/29/39/23/138293923.db2.gz MMOWSWSLDMQLLQ-SJORKVTESA-N 2 1 347.507 1.864 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@H](CO)C1 ZINC000125909842 138336875 /nfs/dbraw/zinc/33/68/75/138336875.db2.gz FHPOUSXNCPHWQA-NZSAHSFTSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H](CO)C1 ZINC000125909842 138336876 /nfs/dbraw/zinc/33/68/76/138336876.db2.gz FHPOUSXNCPHWQA-NZSAHSFTSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H](CO)C1 ZINC000125909842 138336877 /nfs/dbraw/zinc/33/68/77/138336877.db2.gz FHPOUSXNCPHWQA-NZSAHSFTSA-N 2 1 345.487 1.470 20 0 EDADMP O=C([C@@H]1CCn2cncc2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000130576999 138342303 /nfs/dbraw/zinc/34/23/03/138342303.db2.gz ZJVJISQDSWJWFK-GOSISDBHSA-N 2 1 338.455 1.832 20 0 EDADMP CC[N@H+](CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)C(C)C ZINC000133563709 138395333 /nfs/dbraw/zinc/39/53/33/138395333.db2.gz RBNKTQSAHCZXNK-GOSISDBHSA-N 2 1 333.476 1.734 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)C(C)C ZINC000133563709 138395334 /nfs/dbraw/zinc/39/53/34/138395334.db2.gz RBNKTQSAHCZXNK-GOSISDBHSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+](CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)C ZINC000133563709 138395335 /nfs/dbraw/zinc/39/53/35/138395335.db2.gz RBNKTQSAHCZXNK-GOSISDBHSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(C)C ZINC000133563709 138395336 /nfs/dbraw/zinc/39/53/36/138395336.db2.gz RBNKTQSAHCZXNK-GOSISDBHSA-N 2 1 333.476 1.734 20 0 EDADMP CCOC(=O)CCCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000133007758 138387014 /nfs/dbraw/zinc/38/70/14/138387014.db2.gz BHXNOJRMQVVKLF-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000563799471 306347601 /nfs/dbraw/zinc/34/76/01/306347601.db2.gz NMQCLKRIYMWJOY-KZNAEPCWSA-N 2 1 330.476 1.682 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000563799471 306347602 /nfs/dbraw/zinc/34/76/02/306347602.db2.gz NMQCLKRIYMWJOY-KZNAEPCWSA-N 2 1 330.476 1.682 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000338299235 299287137 /nfs/dbraw/zinc/28/71/37/299287137.db2.gz YFGJOZAIMGVWCC-VCBZYWHSSA-N 2 1 331.460 1.693 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000564710338 306362997 /nfs/dbraw/zinc/36/29/97/306362997.db2.gz DQEMRJQOHPWOFI-AWEZNQCLSA-N 2 1 331.420 1.196 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000564710338 306362998 /nfs/dbraw/zinc/36/29/98/306362998.db2.gz DQEMRJQOHPWOFI-AWEZNQCLSA-N 2 1 331.420 1.196 20 0 EDADMP CC[NH+]1CCN(c2ccccc2NC(=O)CC(F)(F)C[NH3+])CC1 ZINC000565151675 306376026 /nfs/dbraw/zinc/37/60/26/306376026.db2.gz OQAGCXNPGGNNPT-UHFFFAOYSA-N 2 1 326.391 1.751 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000130743711 223174014 /nfs/dbraw/zinc/17/40/14/223174014.db2.gz RSICBEZQKGBOBH-GOEBONIOSA-N 2 1 349.479 1.918 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000130743711 223174016 /nfs/dbraw/zinc/17/40/16/223174016.db2.gz RSICBEZQKGBOBH-GOEBONIOSA-N 2 1 349.479 1.918 20 0 EDADMP CCN(C)C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000565488259 306384996 /nfs/dbraw/zinc/38/49/96/306384996.db2.gz CPTBRFZKFMTBMP-SFHVURJKSA-N 2 1 333.476 1.536 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000565488259 306384999 /nfs/dbraw/zinc/38/49/99/306384999.db2.gz CPTBRFZKFMTBMP-SFHVURJKSA-N 2 1 333.476 1.536 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000565488259 306385000 /nfs/dbraw/zinc/38/50/00/306385000.db2.gz CPTBRFZKFMTBMP-SFHVURJKSA-N 2 1 333.476 1.536 20 0 EDADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]CC2(O)CCC2)c1 ZINC000565828384 306392427 /nfs/dbraw/zinc/39/24/27/306392427.db2.gz MNGOOOIYYYOBDJ-UHFFFAOYSA-N 2 1 347.459 1.352 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000565836579 306393146 /nfs/dbraw/zinc/39/31/46/306393146.db2.gz QSSRAPMARPOAKI-IBGZPJMESA-N 2 1 348.466 1.359 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](CCO)[C@H]2CCCc3ccccc32)C1 ZINC000414694758 304128397 /nfs/dbraw/zinc/12/83/97/304128397.db2.gz NRUMTZDZCRYMCI-APWZRJJASA-N 2 1 345.487 1.556 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2cccc(O)c2)CC2CC2)C1 ZINC000414699344 304129482 /nfs/dbraw/zinc/12/94/82/304129482.db2.gz SZSSPMZLEPNTLR-KRWDZBQOSA-N 2 1 331.460 1.802 20 0 EDADMP COc1ccccc1[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414699965 304129530 /nfs/dbraw/zinc/12/95/30/304129530.db2.gz JZGOCYMABWPTBP-CVEARBPZSA-N 2 1 331.460 1.682 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000264763499 284197185 /nfs/dbraw/zinc/19/71/85/284197185.db2.gz QPPLIUDUKWQAPZ-ZWKOTPCHSA-N 2 1 328.460 1.751 20 0 EDADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000264763499 284197187 /nfs/dbraw/zinc/19/71/87/284197187.db2.gz QPPLIUDUKWQAPZ-ZWKOTPCHSA-N 2 1 328.460 1.751 20 0 EDADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000264763499 284197188 /nfs/dbraw/zinc/19/71/88/284197188.db2.gz QPPLIUDUKWQAPZ-ZWKOTPCHSA-N 2 1 328.460 1.751 20 0 EDADMP O=C1N[C@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415142775 304163899 /nfs/dbraw/zinc/16/38/99/304163899.db2.gz SATGFRXCBLJIEJ-DLBZAZTESA-N 2 1 332.423 1.546 20 0 EDADMP O=C1N[C@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415142775 304163901 /nfs/dbraw/zinc/16/39/01/304163901.db2.gz SATGFRXCBLJIEJ-DLBZAZTESA-N 2 1 332.423 1.546 20 0 EDADMP CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000236677428 139028403 /nfs/dbraw/zinc/02/84/03/139028403.db2.gz OLEPZBZEBRNEJQ-IBGZPJMESA-N 2 1 332.492 1.537 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000236805516 139031989 /nfs/dbraw/zinc/03/19/89/139031989.db2.gz DIPALCFNRXWEAI-INIZCTEOSA-N 2 1 325.497 1.581 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H]1C ZINC000186571373 296183484 /nfs/dbraw/zinc/18/34/84/296183484.db2.gz VMNRRHDWOVQYKM-NUWOQIAWSA-N 2 1 340.512 1.203 20 0 EDADMP CCC[C@@H]([NH3+])C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000236921845 139035327 /nfs/dbraw/zinc/03/53/27/139035327.db2.gz HLWREPAPLUCNPF-GOSISDBHSA-N 2 1 332.492 1.390 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415169492 304169893 /nfs/dbraw/zinc/16/98/93/304169893.db2.gz WAYHNVSBLMQTQN-CVEARBPZSA-N 2 1 330.432 1.169 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)[C@H]([NH3+])CCSC)[NH+](C)C ZINC000237260473 139045751 /nfs/dbraw/zinc/04/57/51/139045751.db2.gz AENBOMIDPUDXPC-KGLIPLIRSA-N 2 1 325.478 1.495 20 0 EDADMP COCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000237295276 139046868 /nfs/dbraw/zinc/04/68/68/139046868.db2.gz FPLMMRBGDBMIGW-KRWDZBQOSA-N 2 1 337.439 1.532 20 0 EDADMP COCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000237295276 139046869 /nfs/dbraw/zinc/04/68/69/139046869.db2.gz FPLMMRBGDBMIGW-KRWDZBQOSA-N 2 1 337.439 1.532 20 0 EDADMP C[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[N@@H+]1CCc2sccc2C1 ZINC000237406925 139050225 /nfs/dbraw/zinc/05/02/25/139050225.db2.gz NXAWIKJNMVRTTN-HIFRSBDPSA-N 2 1 337.489 1.380 20 0 EDADMP C[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[N@H+]1CCc2sccc2C1 ZINC000237406925 139050226 /nfs/dbraw/zinc/05/02/26/139050226.db2.gz NXAWIKJNMVRTTN-HIFRSBDPSA-N 2 1 337.489 1.380 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000237459691 139051762 /nfs/dbraw/zinc/05/17/62/139051762.db2.gz QAYUPAJDIRNCIZ-CQSZACIVSA-N 2 1 348.495 1.443 20 0 EDADMP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000237924148 139063941 /nfs/dbraw/zinc/06/39/41/139063941.db2.gz YRBBFMZNPJWNDG-GOSISDBHSA-N 2 1 331.460 1.142 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000238056023 139067880 /nfs/dbraw/zinc/06/78/80/139067880.db2.gz PZXWZTRZCCONPE-ZWKOTPCHSA-N 2 1 347.528 1.762 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+](C)C1CCCCC1 ZINC000111847308 220207325 /nfs/dbraw/zinc/20/73/25/220207325.db2.gz BKUCOOWGDZSTDR-KRWDZBQOSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000111847308 220207332 /nfs/dbraw/zinc/20/73/32/220207332.db2.gz BKUCOOWGDZSTDR-KRWDZBQOSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000111847308 220207337 /nfs/dbraw/zinc/20/73/37/220207337.db2.gz BKUCOOWGDZSTDR-KRWDZBQOSA-N 2 1 340.512 1.661 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)NCC[N@@H+]1CCc2sccc2C1 ZINC000238087107 139068633 /nfs/dbraw/zinc/06/86/33/139068633.db2.gz PKKCISFKYXLZHH-ZDUSSCGKSA-N 2 1 325.503 1.318 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)NCC[N@H+]1CCc2sccc2C1 ZINC000238087107 139068634 /nfs/dbraw/zinc/06/86/34/139068634.db2.gz PKKCISFKYXLZHH-ZDUSSCGKSA-N 2 1 325.503 1.318 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000238093712 139068820 /nfs/dbraw/zinc/06/88/20/139068820.db2.gz CQSGMCNVPJTELF-IRXDYDNUSA-N 2 1 333.501 1.862 20 0 EDADMP CC(C)[C@H](C(=O)NCC1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245198379 139070881 /nfs/dbraw/zinc/07/08/81/139070881.db2.gz ALAPCCADHQNIDZ-BFYDXBDKSA-N 2 1 325.497 1.578 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2)C[C@H](C)O1 ZINC000245668487 139082536 /nfs/dbraw/zinc/08/25/36/139082536.db2.gz JMQMNZYUYFVWDN-QWQRMKEZSA-N 2 1 331.460 1.763 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2)C[C@H](C)O1 ZINC000245668487 139082537 /nfs/dbraw/zinc/08/25/37/139082537.db2.gz JMQMNZYUYFVWDN-QWQRMKEZSA-N 2 1 331.460 1.763 20 0 EDADMP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246377912 139106282 /nfs/dbraw/zinc/10/62/82/139106282.db2.gz ZCYSJIDCBOAKEO-QZTJIDSGSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@@H]1CCCCN1C(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246377912 139106283 /nfs/dbraw/zinc/10/62/83/139106283.db2.gz ZCYSJIDCBOAKEO-QZTJIDSGSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000246416269 139107466 /nfs/dbraw/zinc/10/74/66/139107466.db2.gz LQKAGYDQWQRFTK-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000246948189 139128179 /nfs/dbraw/zinc/12/81/79/139128179.db2.gz HZSJOVOPQPMCMB-DZKIICNBSA-N 2 1 336.432 1.475 20 0 EDADMP C[NH2+]CCNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415355588 304202411 /nfs/dbraw/zinc/20/24/11/304202411.db2.gz DLJIAMWWVNWPDB-CQSZACIVSA-N 2 1 332.448 1.193 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NC(C)(C)C[NH3+])ccc1Cl ZINC000415389818 304211883 /nfs/dbraw/zinc/21/18/83/304211883.db2.gz TXLXJHNZETWSQL-UHFFFAOYSA-N 2 1 326.828 1.194 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000248445002 139164232 /nfs/dbraw/zinc/16/42/32/139164232.db2.gz MHLYWZYLUYYOOR-ZWKOTPCHSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248445002 139164233 /nfs/dbraw/zinc/16/42/33/139164233.db2.gz MHLYWZYLUYYOOR-ZWKOTPCHSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248445002 139164234 /nfs/dbraw/zinc/16/42/34/139164234.db2.gz MHLYWZYLUYYOOR-ZWKOTPCHSA-N 2 1 346.475 1.147 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000248859767 139178046 /nfs/dbraw/zinc/17/80/46/139178046.db2.gz PQLDJJMPRHGDDD-WMLDXEAASA-N 2 1 336.455 1.877 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000248859767 139178047 /nfs/dbraw/zinc/17/80/47/139178047.db2.gz PQLDJJMPRHGDDD-WMLDXEAASA-N 2 1 336.455 1.877 20 0 EDADMP CNC(=O)NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821539 218172132 /nfs/dbraw/zinc/17/21/32/218172132.db2.gz AIYVGRZMDLDPMQ-UHFFFAOYSA-N 2 1 333.436 1.076 20 0 EDADMP CCOCC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000093311554 218212363 /nfs/dbraw/zinc/21/23/63/218212363.db2.gz UOJPJSSJARYTQS-UHFFFAOYSA-N 2 1 347.503 1.998 20 0 EDADMP CCOCC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000093311554 218212365 /nfs/dbraw/zinc/21/23/65/218212365.db2.gz UOJPJSSJARYTQS-UHFFFAOYSA-N 2 1 347.503 1.998 20 0 EDADMP CCOCC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000093311554 218212366 /nfs/dbraw/zinc/21/23/66/218212366.db2.gz UOJPJSSJARYTQS-UHFFFAOYSA-N 2 1 347.503 1.998 20 0 EDADMP CCOCC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000093311554 218212367 /nfs/dbraw/zinc/21/23/67/218212367.db2.gz UOJPJSSJARYTQS-UHFFFAOYSA-N 2 1 347.503 1.998 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000252449876 139204436 /nfs/dbraw/zinc/20/44/36/139204436.db2.gz PPDZCUOIHVBVBQ-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261609957 139210667 /nfs/dbraw/zinc/21/06/67/139210667.db2.gz BVKWMJNYTHOEOV-ACJLOTCBSA-N 2 1 335.448 1.379 20 0 EDADMP COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261609957 139210668 /nfs/dbraw/zinc/21/06/68/139210668.db2.gz BVKWMJNYTHOEOV-ACJLOTCBSA-N 2 1 335.448 1.379 20 0 EDADMP Cc1ccc2cc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)ccc2n1 ZINC000261661850 139215358 /nfs/dbraw/zinc/21/53/58/139215358.db2.gz KSBFVJQTKGCZJP-KRWDZBQOSA-N 2 1 326.444 1.830 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000261701309 139218869 /nfs/dbraw/zinc/21/88/69/139218869.db2.gz KCUJPWSECOOLMS-LBPRGKRZSA-N 2 1 335.839 1.275 20 0 EDADMP O=C(CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1cccc(Cl)c1 ZINC000261862778 139232253 /nfs/dbraw/zinc/23/22/53/139232253.db2.gz KNWXBMPSCTWSJE-MRXNPFEDSA-N 2 1 336.867 1.648 20 0 EDADMP FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261850134 139231400 /nfs/dbraw/zinc/23/14/00/139231400.db2.gz BERRBXXGUTXAAR-ZNMIVQPWSA-N 2 1 335.414 1.760 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261915058 139236666 /nfs/dbraw/zinc/23/66/66/139236666.db2.gz HXMAKCHNMXNTED-OAHLLOKOSA-N 2 1 325.416 1.582 20 0 EDADMP O=C1CNCCN1[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000261921678 139237225 /nfs/dbraw/zinc/23/72/25/139237225.db2.gz KNLKINLPWZXSLH-KRWDZBQOSA-N 2 1 339.443 1.269 20 0 EDADMP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1F ZINC000261923520 139237489 /nfs/dbraw/zinc/23/74/89/139237489.db2.gz KSSXXPKJYUFIGH-DJIMGWMZSA-N 2 1 335.423 1.302 20 0 EDADMP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000261996712 139242798 /nfs/dbraw/zinc/24/27/98/139242798.db2.gz UQJAAHKVGLGZJC-AWEZNQCLSA-N 2 1 325.478 1.498 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C2(C[NH3+])CCOCC2)cc1F ZINC000262063963 139247779 /nfs/dbraw/zinc/24/77/79/139247779.db2.gz BCCGGRWLIHYARB-UHFFFAOYSA-N 2 1 346.406 1.692 20 0 EDADMP Fc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000262065388 139247861 /nfs/dbraw/zinc/24/78/61/139247861.db2.gz AZPVQDJUIKSUHK-CYBMUJFWSA-N 2 1 329.366 1.907 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@@H]1C ZINC000414949074 250896802 /nfs/dbraw/zinc/89/68/02/250896802.db2.gz ZNQTVQWRCXPWIA-YOEHRIQHSA-N 2 1 346.475 1.676 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000262128175 139253230 /nfs/dbraw/zinc/25/32/30/139253230.db2.gz CUEMRZGXOQOIOV-YJBOKZPZSA-N 2 1 349.450 1.785 20 0 EDADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262137829 139254275 /nfs/dbraw/zinc/25/42/75/139254275.db2.gz YVIDPBVNGNVNMW-GOSISDBHSA-N 2 1 326.400 1.991 20 0 EDADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262137829 139254276 /nfs/dbraw/zinc/25/42/76/139254276.db2.gz YVIDPBVNGNVNMW-GOSISDBHSA-N 2 1 326.400 1.991 20 0 EDADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262137830 139254295 /nfs/dbraw/zinc/25/42/95/139254295.db2.gz YVIDPBVNGNVNMW-SFHVURJKSA-N 2 1 326.400 1.991 20 0 EDADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262137830 139254296 /nfs/dbraw/zinc/25/42/96/139254296.db2.gz YVIDPBVNGNVNMW-SFHVURJKSA-N 2 1 326.400 1.991 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415556969 251009461 /nfs/dbraw/zinc/00/94/61/251009461.db2.gz SFOPVNWVXCOUTR-CYBMUJFWSA-N 2 1 332.448 1.115 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)c2)CCO1 ZINC000262185244 139258294 /nfs/dbraw/zinc/25/82/94/139258294.db2.gz ZJNXJMOQNOFXIY-QGTPRVQTSA-N 2 1 347.459 1.030 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)c2)CCO1 ZINC000262185244 139258295 /nfs/dbraw/zinc/25/82/95/139258295.db2.gz ZJNXJMOQNOFXIY-QGTPRVQTSA-N 2 1 347.459 1.030 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1O ZINC000262222252 139261301 /nfs/dbraw/zinc/26/13/01/139261301.db2.gz MVGJFBONLUPULS-HZPDHXFCSA-N 2 1 347.459 1.481 20 0 EDADMP COCC1(CNC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000417002638 251126586 /nfs/dbraw/zinc/12/65/86/251126586.db2.gz AUAACJOAUYQUKT-CVEARBPZSA-N 2 1 340.512 1.422 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417024469 251139233 /nfs/dbraw/zinc/13/92/33/251139233.db2.gz QKFIBGSTUVHILF-SJLPKXTDSA-N 2 1 347.507 1.272 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000417024469 251139238 /nfs/dbraw/zinc/13/92/38/251139238.db2.gz QKFIBGSTUVHILF-SJLPKXTDSA-N 2 1 347.507 1.272 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000417024469 251139242 /nfs/dbraw/zinc/13/92/42/251139242.db2.gz QKFIBGSTUVHILF-SJLPKXTDSA-N 2 1 347.507 1.272 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000417520166 251183276 /nfs/dbraw/zinc/18/32/76/251183276.db2.gz WSSIXZXDZVRDHW-MSOLQXFVSA-N 2 1 348.491 1.829 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)[C@H](C)C1 ZINC000417664140 251218588 /nfs/dbraw/zinc/21/85/88/251218588.db2.gz ATHNDMYXFFWAPF-WCXIOVBPSA-N 2 1 340.512 1.421 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N(CCC[NH3+])CC2CCCC2)C1 ZINC000417701482 251233778 /nfs/dbraw/zinc/23/37/78/251233778.db2.gz HUEIFHJROBXRHM-MRXNPFEDSA-N 2 1 326.485 1.258 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@@H](CC[NH3+])C(F)F)CC2)[nH+]1 ZINC000417703476 251233957 /nfs/dbraw/zinc/23/39/57/251233957.db2.gz RATIFESCNJMFQZ-ZDUSSCGKSA-N 2 1 341.406 1.641 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000417667222 251221186 /nfs/dbraw/zinc/22/11/86/251221186.db2.gz GFUNCOBGTIJKRP-OAGGEKHMSA-N 2 1 326.485 1.175 20 0 EDADMP [NH3+]Cc1nc(-c2ccc(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])cc2)n[nH]1 ZINC000417831415 251288785 /nfs/dbraw/zinc/28/87/85/251288785.db2.gz QSOOZYLHHSDSBV-TZMCWYRMSA-N 2 1 328.420 1.777 20 0 EDADMP C[C@]([NH3+])(C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000417845056 251295519 /nfs/dbraw/zinc/29/55/19/251295519.db2.gz RQWMYCWOKJCVCQ-FAFZWHIHSA-N 2 1 330.476 1.193 20 0 EDADMP C[NH2+][C@@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)c1cnn(C)c1 ZINC000262484136 139281586 /nfs/dbraw/zinc/28/15/86/139281586.db2.gz ZXMDAKNJRJGDKO-GOSISDBHSA-N 2 1 343.475 1.837 20 0 EDADMP C[NH2+][C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)c1cnn(C)c1 ZINC000262484136 139281587 /nfs/dbraw/zinc/28/15/87/139281587.db2.gz ZXMDAKNJRJGDKO-GOSISDBHSA-N 2 1 343.475 1.837 20 0 EDADMP C[C@@]([NH3+])(C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000417845057 251295937 /nfs/dbraw/zinc/29/59/37/251295937.db2.gz RQWMYCWOKJCVCQ-TVPLGVNVSA-N 2 1 330.476 1.193 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000418638854 251382726 /nfs/dbraw/zinc/38/27/26/251382726.db2.gz LFMJQTVPGVAWNT-UHFFFAOYSA-N 2 1 328.460 1.822 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H]([NH3+])CC)CC2)cn1 ZINC000418701137 251388158 /nfs/dbraw/zinc/38/81/58/251388158.db2.gz CPCPJUHKTLJRMQ-INIZCTEOSA-N 2 1 336.484 1.248 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H]([NH3+])CC)CC2)cn1 ZINC000418701137 251388162 /nfs/dbraw/zinc/38/81/62/251388162.db2.gz CPCPJUHKTLJRMQ-INIZCTEOSA-N 2 1 336.484 1.248 20 0 EDADMP C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000419936378 251562564 /nfs/dbraw/zinc/56/25/64/251562564.db2.gz UDCNLZDUZKPSRI-INMHGKMJSA-N 2 1 346.475 1.039 20 0 EDADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000262666784 139294753 /nfs/dbraw/zinc/29/47/53/139294753.db2.gz PRPQAMVHUTUORB-GOSISDBHSA-N 2 1 331.460 1.566 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000262713676 139298261 /nfs/dbraw/zinc/29/82/61/139298261.db2.gz DCMBOFYOVWSNRY-MRXNPFEDSA-N 2 1 332.492 1.568 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000262799097 139304508 /nfs/dbraw/zinc/30/45/08/139304508.db2.gz DWAAUFQOHREABB-CRAIPNDOSA-N 2 1 330.476 1.304 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000423344336 252047433 /nfs/dbraw/zinc/04/74/33/252047433.db2.gz XQTXYOFNNYJVLE-XHSDSOJGSA-N 2 1 347.507 1.975 20 0 EDADMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)nn1 ZINC000422989738 252022165 /nfs/dbraw/zinc/02/21/65/252022165.db2.gz MGXBBTDIABZEPQ-FJIDUMEYSA-N 2 1 345.491 1.501 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000423858059 252093912 /nfs/dbraw/zinc/09/39/12/252093912.db2.gz YTUIPHWZKSDKBH-WDSOQIARSA-N 2 1 345.487 1.782 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000423783129 252073132 /nfs/dbraw/zinc/07/31/32/252073132.db2.gz JJAKJAPAGGJBOX-LSDHHAIUSA-N 2 1 339.480 1.108 20 0 EDADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000424147616 252143082 /nfs/dbraw/zinc/14/30/82/252143082.db2.gz RUMYARGDJHNCKL-MELADBBJSA-N 2 1 327.350 1.743 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[N@H+]2CCCC2(C)C)c1 ZINC000424447307 252235206 /nfs/dbraw/zinc/23/52/06/252235206.db2.gz LDEZURHKZJQFLC-UHFFFAOYSA-N 2 1 332.448 1.383 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000097049371 285033713 /nfs/dbraw/zinc/03/37/13/285033713.db2.gz GZIIVDPIPMVEGX-IKGGRYGDSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000097049371 285033714 /nfs/dbraw/zinc/03/37/14/285033714.db2.gz GZIIVDPIPMVEGX-IKGGRYGDSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000097049371 285033716 /nfs/dbraw/zinc/03/37/16/285033716.db2.gz GZIIVDPIPMVEGX-IKGGRYGDSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416150366 285032267 /nfs/dbraw/zinc/03/22/67/285032267.db2.gz JQIUARFRDRGKCX-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246953403 285200990 /nfs/dbraw/zinc/20/09/90/285200990.db2.gz PGIJRMKURDFMQX-MSOLQXFVSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000494706635 255258944 /nfs/dbraw/zinc/25/89/44/255258944.db2.gz CLYIMEMTFVRCPA-QGZVFWFLSA-N 2 1 332.492 1.438 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496401221 255391814 /nfs/dbraw/zinc/39/18/14/255391814.db2.gz XQIGIJXJIIJHAI-HNNXBMFYSA-N 2 1 327.469 1.696 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[N@@H+](C)C1CC1 ZINC000118127941 221126674 /nfs/dbraw/zinc/12/66/74/221126674.db2.gz QQOZXVGISVEFQZ-CQSZACIVSA-N 2 1 346.475 1.328 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000418443776 285314192 /nfs/dbraw/zinc/31/41/92/285314192.db2.gz NWGMYBQEIJNJKE-OAHLLOKOSA-N 2 1 327.517 1.075 20 0 EDADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000174735774 285318542 /nfs/dbraw/zinc/31/85/42/285318542.db2.gz LJOPAIOVDBIDHX-HOTGVXAUSA-N 2 1 339.528 1.042 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000174735774 285318546 /nfs/dbraw/zinc/31/85/46/285318546.db2.gz LJOPAIOVDBIDHX-HOTGVXAUSA-N 2 1 339.528 1.042 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000174735774 285318550 /nfs/dbraw/zinc/31/85/50/285318550.db2.gz LJOPAIOVDBIDHX-HOTGVXAUSA-N 2 1 339.528 1.042 20 0 EDADMP CN(CC[N@@H+](C)C[C@H](O)COCc1ccco1)C1CC[NH+](C)CC1 ZINC000119311985 221291435 /nfs/dbraw/zinc/29/14/35/221291435.db2.gz AGQWTDNZUBZYKQ-KRWDZBQOSA-N 2 1 339.480 1.115 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000119612732 221359482 /nfs/dbraw/zinc/35/94/82/221359482.db2.gz GGZJQKHSKYPNGX-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000119612732 221359486 /nfs/dbraw/zinc/35/94/86/221359486.db2.gz GGZJQKHSKYPNGX-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000119612732 221359489 /nfs/dbraw/zinc/35/94/89/221359489.db2.gz GGZJQKHSKYPNGX-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000119612732 221359494 /nfs/dbraw/zinc/35/94/94/221359494.db2.gz GGZJQKHSKYPNGX-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)COc2ccccc2)CC1 ZINC000264309095 139396015 /nfs/dbraw/zinc/39/60/15/139396015.db2.gz ZLUUCFBWDZDXNO-AEFFLSMTSA-N 2 1 336.476 1.451 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000452727001 285362167 /nfs/dbraw/zinc/36/21/67/285362167.db2.gz GKAAAHARWSBEJZ-SFHVURJKSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000452727001 285362168 /nfs/dbraw/zinc/36/21/68/285362168.db2.gz GKAAAHARWSBEJZ-SFHVURJKSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000452727001 285362169 /nfs/dbraw/zinc/36/21/69/285362169.db2.gz GKAAAHARWSBEJZ-SFHVURJKSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000452727001 285362170 /nfs/dbraw/zinc/36/21/70/285362170.db2.gz GKAAAHARWSBEJZ-SFHVURJKSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N(C)CC[NH3+])cc2)C1 ZINC000415879523 304283440 /nfs/dbraw/zinc/28/34/40/304283440.db2.gz POUINFJVDVIPTH-AWEZNQCLSA-N 2 1 332.448 1.274 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)[C@H](C)C1 ZINC000424146402 285394702 /nfs/dbraw/zinc/39/47/02/285394702.db2.gz PPQHJEZFJWAMPF-FMKPAKJESA-N 2 1 334.468 1.005 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000415924021 304285562 /nfs/dbraw/zinc/28/55/62/304285562.db2.gz QHSUVYPQTFAHQC-AWEZNQCLSA-N 2 1 334.464 1.715 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000415923637 304285574 /nfs/dbraw/zinc/28/55/74/304285574.db2.gz WVPGGAWBTDLIDN-QGZVFWFLSA-N 2 1 334.464 1.764 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000415929436 304285953 /nfs/dbraw/zinc/28/59/53/304285953.db2.gz HCHUZUICBFNESX-KRWDZBQOSA-N 2 1 334.464 1.764 20 0 EDADMP O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000416239997 304299454 /nfs/dbraw/zinc/29/94/54/304299454.db2.gz MIXJSYGNWSFJRV-LJQANCHMSA-N 2 1 345.487 1.398 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000416239997 304299455 /nfs/dbraw/zinc/29/94/55/304299455.db2.gz MIXJSYGNWSFJRV-LJQANCHMSA-N 2 1 345.487 1.398 20 0 EDADMP C[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000271928879 140374049 /nfs/dbraw/zinc/37/40/49/140374049.db2.gz LWAZNNYYXXLNTD-SFHVURJKSA-N 2 1 329.444 1.266 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000271928879 140374052 /nfs/dbraw/zinc/37/40/52/140374052.db2.gz LWAZNNYYXXLNTD-SFHVURJKSA-N 2 1 329.444 1.266 20 0 EDADMP C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000271928879 140374054 /nfs/dbraw/zinc/37/40/54/140374054.db2.gz LWAZNNYYXXLNTD-SFHVURJKSA-N 2 1 329.444 1.266 20 0 EDADMP C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000271928879 140374057 /nfs/dbraw/zinc/37/40/57/140374057.db2.gz LWAZNNYYXXLNTD-SFHVURJKSA-N 2 1 329.444 1.266 20 0 EDADMP Cc1[nH+]c2cc(NC[C@H](O)C[NH+]3C[C@H](C)O[C@@H](C)C3)ccc2n1C ZINC000572029209 306579939 /nfs/dbraw/zinc/57/99/39/306579939.db2.gz GYDCLQDZBGTVPR-XEZPLFJOSA-N 2 1 332.448 1.764 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[N@H+]1Cc1ccccc1 ZINC000333136159 141269893 /nfs/dbraw/zinc/26/98/93/141269893.db2.gz CIBCIHUWRRZHCL-DOTOQJQBSA-N 2 1 344.459 1.033 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)[C@H]2C1 ZINC000333322047 141299125 /nfs/dbraw/zinc/29/91/25/141299125.db2.gz NDOZBGJOHVLCDN-BBRMVZONSA-N 2 1 330.432 1.727 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000333595753 141342281 /nfs/dbraw/zinc/34/22/81/141342281.db2.gz OZHUFNVKVKBQPJ-BLLLJJGKSA-N 2 1 346.479 1.502 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333661608 141352211 /nfs/dbraw/zinc/35/22/11/141352211.db2.gz LPRFVTSUGVLJMV-BFWZDYSYSA-N 2 1 349.523 1.081 20 0 EDADMP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333661608 141352213 /nfs/dbraw/zinc/35/22/13/141352213.db2.gz LPRFVTSUGVLJMV-BFWZDYSYSA-N 2 1 349.523 1.081 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333661608 141352214 /nfs/dbraw/zinc/35/22/14/141352214.db2.gz LPRFVTSUGVLJMV-BFWZDYSYSA-N 2 1 349.523 1.081 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)cn1 ZINC000333765227 141376472 /nfs/dbraw/zinc/37/64/72/141376472.db2.gz BDQNIUIZJJHLMB-GOSISDBHSA-N 2 1 348.495 1.027 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)cn1 ZINC000333765227 141376473 /nfs/dbraw/zinc/37/64/73/141376473.db2.gz BDQNIUIZJJHLMB-GOSISDBHSA-N 2 1 348.495 1.027 20 0 EDADMP COC(=O)CNC(=O)CN1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000339661005 142111315 /nfs/dbraw/zinc/11/13/15/142111315.db2.gz LCJUBQLUMUKLML-AWEZNQCLSA-N 2 1 344.415 1.098 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000339948101 142209339 /nfs/dbraw/zinc/20/93/39/142209339.db2.gz WGQNKXUORVAFHR-DLBZAZTESA-N 2 1 342.528 1.763 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000342685017 142745075 /nfs/dbraw/zinc/74/50/75/142745075.db2.gz BBEFIXHNEUVUJT-LMMKCTJWSA-N 2 1 344.503 1.511 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000342685017 142745076 /nfs/dbraw/zinc/74/50/76/142745076.db2.gz BBEFIXHNEUVUJT-LMMKCTJWSA-N 2 1 344.503 1.511 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)CC1 ZINC000345163167 143059757 /nfs/dbraw/zinc/05/97/57/143059757.db2.gz AHQDMUIBTHQDPE-IAGOWNOFSA-N 2 1 346.475 1.335 20 0 EDADMP COCCN1CCCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)CC1 ZINC000345163167 143059758 /nfs/dbraw/zinc/05/97/58/143059758.db2.gz AHQDMUIBTHQDPE-IAGOWNOFSA-N 2 1 346.475 1.335 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[NH+](C)C)cc1 ZINC000346282817 143186706 /nfs/dbraw/zinc/18/67/06/143186706.db2.gz NAZXHBFKHRGXDP-QZTJIDSGSA-N 2 1 333.476 1.823 20 0 EDADMP OC[C@@H]1C[C@H](F)C[NH+]1Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cc1 ZINC000346357801 143196081 /nfs/dbraw/zinc/19/60/81/143196081.db2.gz BGLIROAZOWNKQI-XSLAGTTESA-N 2 1 340.414 1.496 20 0 EDADMP OC[C@@H]1C[C@H](F)C[NH+]1Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cc1 ZINC000346357801 143196082 /nfs/dbraw/zinc/19/60/82/143196082.db2.gz BGLIROAZOWNKQI-XSLAGTTESA-N 2 1 340.414 1.496 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)c2ccccc2OCC[NH+](C)C)[N@@H+](C)C1 ZINC000346698247 143233723 /nfs/dbraw/zinc/23/37/23/143233723.db2.gz KJHONFFMGVAJSV-HZPDHXFCSA-N 2 1 349.475 1.418 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000346816275 143248460 /nfs/dbraw/zinc/24/84/60/143248460.db2.gz CZZDNNUIRGSMDT-YTQUADARSA-N 3 1 328.504 1.998 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000347067965 143278501 /nfs/dbraw/zinc/27/85/01/143278501.db2.gz KTVUOICZEVXSPU-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347227833 143297568 /nfs/dbraw/zinc/29/75/68/143297568.db2.gz WMWXGDBPVCMEQN-NCRRVARUSA-N 2 1 343.471 1.852 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)nc1OC ZINC000347384396 143315343 /nfs/dbraw/zinc/31/53/43/143315343.db2.gz AAYPJSCYRHUTRZ-MRXNPFEDSA-N 2 1 348.491 1.887 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)N2CC[NH+](CC)CC2)C12CCCC2 ZINC000347695883 143350901 /nfs/dbraw/zinc/35/09/01/143350901.db2.gz ATYARGYVQWGFCH-IXDOHACOSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@@H+](CC(=O)N(C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C)C1CC1 ZINC000347864364 143371793 /nfs/dbraw/zinc/37/17/93/143371793.db2.gz FNDGWUFBJCRWQE-BEFAXECRSA-N 2 1 347.507 1.746 20 0 EDADMP CC[NH+](CC(=O)N(C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C1CC1 ZINC000347864364 143371794 /nfs/dbraw/zinc/37/17/94/143371794.db2.gz FNDGWUFBJCRWQE-BEFAXECRSA-N 2 1 347.507 1.746 20 0 EDADMP CC[NH+](CC(=O)N(C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C1CC1 ZINC000347864364 143371795 /nfs/dbraw/zinc/37/17/95/143371795.db2.gz FNDGWUFBJCRWQE-BEFAXECRSA-N 2 1 347.507 1.746 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000249528845 296581426 /nfs/dbraw/zinc/58/14/26/296581426.db2.gz AKCSIUHIYBJZRB-NJAFHUGGSA-N 2 1 330.476 1.089 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)[NH+](C)C ZINC000573428367 306620543 /nfs/dbraw/zinc/62/05/43/306620543.db2.gz AKPLUENMEIMXIR-VYDXJSESSA-N 2 1 346.475 1.549 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000352754293 149150608 /nfs/dbraw/zinc/15/06/08/149150608.db2.gz TVNLMCBATWOPFH-INIZCTEOSA-N 2 1 328.501 1.207 20 0 EDADMP CCOC1CC(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)C1 ZINC000352872340 149197585 /nfs/dbraw/zinc/19/75/85/149197585.db2.gz MIKLXBVRXCPSCW-CGZBRXJRSA-N 2 1 325.497 1.676 20 0 EDADMP Cc1nocc1C[N@H+](C)C[C@@H]1C[C@@H](F)CN1c1ccnc(N(C)C)n1 ZINC000353061437 149270674 /nfs/dbraw/zinc/27/06/74/149270674.db2.gz GJANQULDAHZOEL-CABCVRRESA-N 2 1 348.426 1.888 20 0 EDADMP Cc1nocc1CN(C)C[C@@H]1C[C@@H](F)CN1c1ccnc(N(C)C)n1 ZINC000353061437 149270677 /nfs/dbraw/zinc/27/06/77/149270677.db2.gz GJANQULDAHZOEL-CABCVRRESA-N 2 1 348.426 1.888 20 0 EDADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC[NH+]1CCSCC1 ZINC000353297893 149355720 /nfs/dbraw/zinc/35/57/20/149355720.db2.gz TZWVGYRCUIOVOO-GJZGRUSLSA-N 2 1 326.510 1.303 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416960158 304355747 /nfs/dbraw/zinc/35/57/47/304355747.db2.gz ZNDNZWBEBPHGHZ-QKPAOTATSA-N 2 1 326.485 1.397 20 0 EDADMP Cn1cc([C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)CCC[N@H+]2C)cn1 ZINC000369925947 155236276 /nfs/dbraw/zinc/23/62/76/155236276.db2.gz GTJOIJZWCOQOAF-WBVHZDCISA-N 2 1 333.480 1.261 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000417029576 304362386 /nfs/dbraw/zinc/36/23/86/304362386.db2.gz CCQGITRMDDLUNK-XWTMOSNGSA-N 2 1 336.524 1.995 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000417030881 304362597 /nfs/dbraw/zinc/36/25/97/304362597.db2.gz WYAUCDIHDGPSHV-SJORKVTESA-N 2 1 347.507 1.229 20 0 EDADMP CC1CC[NH+](CCCCNC(=O)N2CC[NH2+]C[C@](C)(F)C2)CC1 ZINC000417031737 304363022 /nfs/dbraw/zinc/36/30/22/304363022.db2.gz PTXPTJHHUMHQTP-KRWDZBQOSA-N 2 1 328.476 1.842 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417036344 304363915 /nfs/dbraw/zinc/36/39/15/304363915.db2.gz HPJJYXHGRUTXDP-IRXDYDNUSA-N 2 1 339.528 1.221 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCOCC3)[C@H]2C)CC1 ZINC000357608224 151083220 /nfs/dbraw/zinc/08/32/20/151083220.db2.gz LZYJDEZHXBZGEK-WBVHZDCISA-N 2 1 338.496 1.365 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357658985 151106030 /nfs/dbraw/zinc/10/60/30/151106030.db2.gz CINWVZJDJZMKID-YESZJQIVSA-N 2 1 342.528 1.905 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357658985 151106033 /nfs/dbraw/zinc/10/60/33/151106033.db2.gz CINWVZJDJZMKID-YESZJQIVSA-N 2 1 342.528 1.905 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357658985 151106035 /nfs/dbraw/zinc/10/60/35/151106035.db2.gz CINWVZJDJZMKID-YESZJQIVSA-N 2 1 342.528 1.905 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000357951202 151208031 /nfs/dbraw/zinc/20/80/31/151208031.db2.gz BZPZQTDECQQQEP-HOCLYGCPSA-N 2 1 330.542 1.843 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000358085472 151265440 /nfs/dbraw/zinc/26/54/40/151265440.db2.gz MXEXRJFWFVAQJM-DVOMOZLQSA-N 2 1 325.478 1.876 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000358085472 151265442 /nfs/dbraw/zinc/26/54/42/151265442.db2.gz MXEXRJFWFVAQJM-DVOMOZLQSA-N 2 1 325.478 1.876 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000358142811 151286793 /nfs/dbraw/zinc/28/67/93/151286793.db2.gz RLEXAUHOCNVCCI-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CCOc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)ccc1OC(F)F ZINC000358149339 151288273 /nfs/dbraw/zinc/28/82/73/151288273.db2.gz YZTTWSGDHNIKFL-MRXNPFEDSA-N 2 1 330.375 1.843 20 0 EDADMP CCOc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)ccc1OC(F)F ZINC000358149339 151288274 /nfs/dbraw/zinc/28/82/74/151288274.db2.gz YZTTWSGDHNIKFL-MRXNPFEDSA-N 2 1 330.375 1.843 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000358255140 151318349 /nfs/dbraw/zinc/31/83/49/151318349.db2.gz QCDLHCPPIFJVES-KXBFYZLASA-N 2 1 344.459 1.716 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000358255140 151318350 /nfs/dbraw/zinc/31/83/50/151318350.db2.gz QCDLHCPPIFJVES-KXBFYZLASA-N 2 1 344.459 1.716 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358495333 151395380 /nfs/dbraw/zinc/39/53/80/151395380.db2.gz HXUKZYVBEGOGEQ-ZACQAIPSSA-N 2 1 339.528 1.137 20 0 EDADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N[C@H]1CCOc2ccccc21 ZINC000358498766 151395717 /nfs/dbraw/zinc/39/57/17/151395717.db2.gz MWQCJDCPRRMISQ-INIZCTEOSA-N 2 1 329.444 1.702 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCOCC2(C)C)[C@@H](C)C1 ZINC000361164613 152323640 /nfs/dbraw/zinc/32/36/40/152323640.db2.gz RKEADWZAODFQFJ-ROUUACIJSA-N 2 1 341.540 1.824 20 0 EDADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)COC2 ZINC000361184905 152328904 /nfs/dbraw/zinc/32/89/04/152328904.db2.gz ZOADWPLQRCHOOY-GDBMZVCRSA-N 2 1 331.460 1.955 20 0 EDADMP COC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361333330 152364003 /nfs/dbraw/zinc/36/40/03/152364003.db2.gz BJUJHHMUZVSZMS-LJQANCHMSA-N 2 1 347.503 1.776 20 0 EDADMP [NH3+]CCCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417159228 304379093 /nfs/dbraw/zinc/37/90/93/304379093.db2.gz CEZQITVSZUUVOF-UHFFFAOYSA-N 2 1 326.391 1.577 20 0 EDADMP C[NH+](C)CCCCCCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000362396770 152696706 /nfs/dbraw/zinc/69/67/06/152696706.db2.gz PUHODEOKAHGMNZ-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP CC(C)(C)OC(=O)CCCN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000363652552 153023021 /nfs/dbraw/zinc/02/30/21/153023021.db2.gz QLHXEVQHXJXODC-HNNXBMFYSA-N 2 1 339.480 1.522 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCN1CCOCC1(C)C ZINC000363784274 153055535 /nfs/dbraw/zinc/05/55/35/153055535.db2.gz AVDCCAWMUNUUCY-KZNAEPCWSA-N 2 1 339.524 1.576 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)C1 ZINC000363959713 153107695 /nfs/dbraw/zinc/10/76/95/153107695.db2.gz FNKRBKBBSLCNRD-DNVCBOLYSA-N 2 1 331.460 1.779 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)C[C@@H]2CCn3ccnc3C2)C1 ZINC000364158184 153159192 /nfs/dbraw/zinc/15/91/92/153159192.db2.gz BZGLRQIZAFJFNS-HZPDHXFCSA-N 2 1 333.480 1.819 20 0 EDADMP NCc1cc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)co1 ZINC000364565437 153272965 /nfs/dbraw/zinc/27/29/65/153272965.db2.gz ZOHBYWAEHCMQEU-KRWDZBQOSA-N 2 1 329.400 1.369 20 0 EDADMP COc1ccc(CN2CCC(N3CCN(C)CC3=O)CC2)cc1OC ZINC000365022346 153399966 /nfs/dbraw/zinc/39/99/66/153399966.db2.gz TYXFFWZPJZQLHO-UHFFFAOYSA-N 2 1 347.459 1.442 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417264970 304388548 /nfs/dbraw/zinc/38/85/48/304388548.db2.gz AWYLRXRMZGTVSA-QAPCUYQASA-N 2 1 348.491 1.690 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417264970 304388550 /nfs/dbraw/zinc/38/85/50/304388550.db2.gz AWYLRXRMZGTVSA-QAPCUYQASA-N 2 1 348.491 1.690 20 0 EDADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CC[C@H](CC(N)=O)C3)c2cc1C ZINC000367993513 154360344 /nfs/dbraw/zinc/36/03/44/154360344.db2.gz LZAQOCHSFAUWRW-CABCVRRESA-N 2 1 330.432 1.211 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCCN1CCOCC1(C)C ZINC000369428564 155028340 /nfs/dbraw/zinc/02/83/40/155028340.db2.gz VCDRMIZGHLNCBF-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NCCN1CCOCC1(C)C ZINC000369428564 155028344 /nfs/dbraw/zinc/02/83/44/155028344.db2.gz VCDRMIZGHLNCBF-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000371607202 156027452 /nfs/dbraw/zinc/02/74/52/156027452.db2.gz ZUGFXOAWMLZRTA-HMQMGEFJSA-N 2 1 338.496 1.269 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000371607202 156027454 /nfs/dbraw/zinc/02/74/54/156027454.db2.gz ZUGFXOAWMLZRTA-HMQMGEFJSA-N 2 1 338.496 1.269 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000371607202 156027456 /nfs/dbraw/zinc/02/74/56/156027456.db2.gz ZUGFXOAWMLZRTA-HMQMGEFJSA-N 2 1 338.496 1.269 20 0 EDADMP CN1CCO[C@H](C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000371775370 156100110 /nfs/dbraw/zinc/10/01/10/156100110.db2.gz XXQNTRSFLNRGRR-HCXYKTFWSA-N 2 1 343.471 1.344 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)C1 ZINC000371775370 156100115 /nfs/dbraw/zinc/10/01/15/156100115.db2.gz XXQNTRSFLNRGRR-HCXYKTFWSA-N 2 1 343.471 1.344 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)C1 ZINC000371775370 156100118 /nfs/dbraw/zinc/10/01/18/156100118.db2.gz XXQNTRSFLNRGRR-HCXYKTFWSA-N 2 1 343.471 1.344 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000371775370 156100123 /nfs/dbraw/zinc/10/01/23/156100123.db2.gz XXQNTRSFLNRGRR-HCXYKTFWSA-N 2 1 343.471 1.344 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000371775370 156100127 /nfs/dbraw/zinc/10/01/27/156100127.db2.gz XXQNTRSFLNRGRR-HCXYKTFWSA-N 2 1 343.471 1.344 20 0 EDADMP O=S(=O)(CC[NH+]1CC[C@H](C2CC2)C1)CC[N@H+]1CC[C@H](C2CC2)C1 ZINC000372334846 156339910 /nfs/dbraw/zinc/33/99/10/156339910.db2.gz SYNFVWAUFUBBCD-ROUUACIJSA-N 2 1 340.533 1.865 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000372416320 156379596 /nfs/dbraw/zinc/37/95/96/156379596.db2.gz KKOFXGHXVFGAJS-AWEZNQCLSA-N 2 1 332.448 1.905 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000374155868 157169029 /nfs/dbraw/zinc/16/90/29/157169029.db2.gz BYEKREJHNFBSBB-QGZVFWFLSA-N 3 1 336.524 1.347 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000374155868 157169031 /nfs/dbraw/zinc/16/90/31/157169031.db2.gz BYEKREJHNFBSBB-QGZVFWFLSA-N 3 1 336.524 1.347 20 0 EDADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000374330669 157248574 /nfs/dbraw/zinc/24/85/74/157248574.db2.gz XAITYTLSWLNTLY-UONOGXRCSA-N 2 1 347.463 1.633 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000374383602 157269917 /nfs/dbraw/zinc/26/99/17/157269917.db2.gz GLHNEPXFKYKFTA-GOSISDBHSA-N 2 1 328.460 1.910 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000374383602 157269920 /nfs/dbraw/zinc/26/99/20/157269920.db2.gz GLHNEPXFKYKFTA-GOSISDBHSA-N 2 1 328.460 1.910 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H](c2ccccc2)C1 ZINC000378207485 158110049 /nfs/dbraw/zinc/11/00/49/158110049.db2.gz RURUNPBKTKYUNW-SQNIBIBYSA-N 2 1 330.476 1.219 20 0 EDADMP C[NH+](C[C@@H](O)CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000352365285 162142415 /nfs/dbraw/zinc/14/24/15/162142415.db2.gz PVDLFSSGKKIVFL-PKOBYXMFSA-N 2 1 332.492 1.290 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@@H]1CCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000352365285 162142417 /nfs/dbraw/zinc/14/24/17/162142417.db2.gz PVDLFSSGKKIVFL-PKOBYXMFSA-N 2 1 332.492 1.290 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@@H]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352365285 162142420 /nfs/dbraw/zinc/14/24/20/162142420.db2.gz PVDLFSSGKKIVFL-PKOBYXMFSA-N 2 1 332.492 1.290 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000073527321 287261053 /nfs/dbraw/zinc/26/10/53/287261053.db2.gz LYCHJNQJPAOVKE-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCSCC1 ZINC000073976175 287267085 /nfs/dbraw/zinc/26/70/85/287267085.db2.gz WXOJBXPMLIHDMN-INIZCTEOSA-N 2 1 342.553 1.940 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000074169641 287268837 /nfs/dbraw/zinc/26/88/37/287268837.db2.gz ZCJYHTLEJAYJNG-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000158915506 225109163 /nfs/dbraw/zinc/10/91/63/225109163.db2.gz ZJVKAXVOIYHALL-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@@H](C)CO1 ZINC000665763640 452345090 /nfs/dbraw/zinc/34/50/90/452345090.db2.gz HSLFARIWSDKDHK-JYJNAYRXSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H](C)CO1 ZINC000665763640 452345100 /nfs/dbraw/zinc/34/51/00/452345100.db2.gz HSLFARIWSDKDHK-JYJNAYRXSA-N 2 1 328.501 1.467 20 0 EDADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)CCS2 ZINC000191509874 272980000 /nfs/dbraw/zinc/98/00/00/272980000.db2.gz FWDLOELXLBNRRB-INIZCTEOSA-N 2 1 349.500 1.986 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194095585 273000293 /nfs/dbraw/zinc/00/02/93/273000293.db2.gz RIGBPDSTYHSZCD-QGZVFWFLSA-N 2 1 334.508 1.988 20 0 EDADMP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000194139236 273000639 /nfs/dbraw/zinc/00/06/39/273000639.db2.gz BBMHMJDMIAHGPT-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000194139236 273000640 /nfs/dbraw/zinc/00/06/40/273000640.db2.gz BBMHMJDMIAHGPT-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP Cc1nc2c(n1[C@H]1CCN(CC(=O)NCC(F)(F)F)C1)CCCC2 ZINC000275224828 268304229 /nfs/dbraw/zinc/30/42/29/268304229.db2.gz COTWKBDNEZBLBX-LBPRGKRZSA-N 2 1 344.381 1.996 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1)c1ccccc1 ZINC000275381655 268333493 /nfs/dbraw/zinc/33/34/93/268333493.db2.gz BEVSPMRLOFRJTA-DLBZAZTESA-N 2 1 333.476 1.498 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](O)C(C)(C)C1)c1ccccc1 ZINC000275381655 268333495 /nfs/dbraw/zinc/33/34/95/268333495.db2.gz BEVSPMRLOFRJTA-DLBZAZTESA-N 2 1 333.476 1.498 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1CC=CCC1)c1ccc(F)cc1 ZINC000279774170 273326297 /nfs/dbraw/zinc/32/62/97/273326297.db2.gz BOZDWSBHTJNFDP-KRWDZBQOSA-N 2 1 334.439 1.990 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280790538 273398753 /nfs/dbraw/zinc/39/87/53/273398753.db2.gz LBGPJEAPLCYNOR-CEXWTWQISA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280790538 273398754 /nfs/dbraw/zinc/39/87/54/273398754.db2.gz LBGPJEAPLCYNOR-CEXWTWQISA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280790538 273398755 /nfs/dbraw/zinc/39/87/55/273398755.db2.gz LBGPJEAPLCYNOR-CEXWTWQISA-N 2 1 342.487 1.854 20 0 EDADMP COc1cccc2c1CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C2 ZINC000426043084 274152199 /nfs/dbraw/zinc/15/21/99/274152199.db2.gz MUZSIKLCAIGRMC-IAGOWNOFSA-N 2 1 345.487 1.730 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000372826480 276012990 /nfs/dbraw/zinc/01/29/90/276012990.db2.gz VJNMUEZVZSMYHW-OKZBNKHCSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000372826480 276012992 /nfs/dbraw/zinc/01/29/92/276012992.db2.gz VJNMUEZVZSMYHW-OKZBNKHCSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000358275245 276259864 /nfs/dbraw/zinc/25/98/64/276259864.db2.gz MYYLBIZGHSNVKU-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000358275245 276259865 /nfs/dbraw/zinc/25/98/65/276259865.db2.gz MYYLBIZGHSNVKU-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)C[C@@H]1CC ZINC000370020492 276319890 /nfs/dbraw/zinc/31/98/90/276319890.db2.gz UAJABSLKLYLYKB-SQNIBIBYSA-N 2 1 337.508 1.820 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C[C@@H]1CC ZINC000370020492 276319892 /nfs/dbraw/zinc/31/98/92/276319892.db2.gz UAJABSLKLYLYKB-SQNIBIBYSA-N 2 1 337.508 1.820 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C[C@@H]1CC ZINC000370020492 276319894 /nfs/dbraw/zinc/31/98/94/276319894.db2.gz UAJABSLKLYLYKB-SQNIBIBYSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000347759508 276323766 /nfs/dbraw/zinc/32/37/66/276323766.db2.gz JIFHXWMQOFMMNI-HZPDHXFCSA-N 2 1 340.512 1.166 20 0 EDADMP CC[NH+](CC)CCCNC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351581534 276325684 /nfs/dbraw/zinc/32/56/84/276325684.db2.gz HUYQOINCPBIUAV-BBWFWOEESA-N 2 1 327.513 1.968 20 0 EDADMP CC[NH+](CC)CCCNC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351581534 276325686 /nfs/dbraw/zinc/32/56/86/276325686.db2.gz HUYQOINCPBIUAV-BBWFWOEESA-N 2 1 327.513 1.968 20 0 EDADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C12CCC2 ZINC000344178213 276362293 /nfs/dbraw/zinc/36/22/93/276362293.db2.gz VOJSLNPGUKRLJN-SJORKVTESA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn2ccnc2s1 ZINC000343968033 276371017 /nfs/dbraw/zinc/37/10/17/276371017.db2.gz AZUMWVUQYYOLBW-CQSZACIVSA-N 2 1 349.504 1.884 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCO[C@H]3CCCCO3)C2)CC1 ZINC000358804101 276386145 /nfs/dbraw/zinc/38/61/45/276386145.db2.gz IIPRFYVHDJTDEO-MSOLQXFVSA-N 2 1 325.497 1.632 20 0 EDADMP CC(=O)NCC[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000347666054 277034262 /nfs/dbraw/zinc/03/42/62/277034262.db2.gz GGNXHHUTLVMJGI-LJQANCHMSA-N 2 1 338.540 1.641 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C2)C1 ZINC000356293116 277071346 /nfs/dbraw/zinc/07/13/46/277071346.db2.gz HMUQGTXZRBACOF-IEBWSBKVSA-N 2 1 335.492 1.574 20 0 EDADMP C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C2)C1 ZINC000356293116 277071349 /nfs/dbraw/zinc/07/13/49/277071349.db2.gz HMUQGTXZRBACOF-IEBWSBKVSA-N 2 1 335.492 1.574 20 0 EDADMP C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C2)C1 ZINC000356293116 277071350 /nfs/dbraw/zinc/07/13/50/277071350.db2.gz HMUQGTXZRBACOF-IEBWSBKVSA-N 2 1 335.492 1.574 20 0 EDADMP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000369228355 277081812 /nfs/dbraw/zinc/08/18/12/277081812.db2.gz AVLFBNLHGYBZSY-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000305825901 277111688 /nfs/dbraw/zinc/11/16/88/277111688.db2.gz MNODOYOALQPRNU-RBUKOAKNSA-N 2 1 335.467 1.961 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000305825901 277111691 /nfs/dbraw/zinc/11/16/91/277111691.db2.gz MNODOYOALQPRNU-RBUKOAKNSA-N 2 1 335.467 1.961 20 0 EDADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)[C@@H]1C ZINC000358653117 277325696 /nfs/dbraw/zinc/32/56/96/277325696.db2.gz GIXJNRVXGOLARV-IXDOHACOSA-N 2 1 325.497 1.581 20 0 EDADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173141 278035471 /nfs/dbraw/zinc/03/54/71/278035471.db2.gz CIZYYLGAPUVVKA-OGWHTMIXSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173141 278035473 /nfs/dbraw/zinc/03/54/73/278035473.db2.gz CIZYYLGAPUVVKA-OGWHTMIXSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173141 278035474 /nfs/dbraw/zinc/03/54/74/278035474.db2.gz CIZYYLGAPUVVKA-OGWHTMIXSA-N 2 1 349.519 1.819 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1[NH+]1CCCC1 ZINC000355803443 278151491 /nfs/dbraw/zinc/15/14/91/278151491.db2.gz IKOSEPCVSHVNFF-RBSFLKMASA-N 2 1 334.489 1.799 20 0 EDADMP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000422837282 278357558 /nfs/dbraw/zinc/35/75/58/278357558.db2.gz LTZOJKVHKCCRFZ-IAGOWNOFSA-N 2 1 338.540 1.863 20 0 EDADMP Cc1cnn(C)c1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000286759336 288079775 /nfs/dbraw/zinc/07/97/75/288079775.db2.gz ZGHWBGDPMNNADN-MSOLQXFVSA-N 2 1 328.460 1.701 20 0 EDADMP Cc1cnn(C)c1C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000286759336 288079779 /nfs/dbraw/zinc/07/97/79/288079779.db2.gz ZGHWBGDPMNNADN-MSOLQXFVSA-N 2 1 328.460 1.701 20 0 EDADMP CC[NH+](CC)CC(=O)NC[C@@H]1OCC[N@H+](CC)[C@@H]1c1ccccc1 ZINC000347446349 279090158 /nfs/dbraw/zinc/09/01/58/279090158.db2.gz JYMROSUBZJCMJI-PKOBYXMFSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](CC)CC(=O)NC[C@@H]1OCC[N@@H+](CC)[C@@H]1c1ccccc1 ZINC000347446349 279090159 /nfs/dbraw/zinc/09/01/59/279090159.db2.gz JYMROSUBZJCMJI-PKOBYXMFSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000352066785 279111728 /nfs/dbraw/zinc/11/17/28/279111728.db2.gz DHVXRIFGHFNEDX-RDJZCZTQSA-N 2 1 343.537 1.607 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457811759 279127296 /nfs/dbraw/zinc/12/72/96/279127296.db2.gz OBFUFPANSHNNDU-CVEARBPZSA-N 2 1 328.501 1.109 20 0 EDADMP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000363802813 279321225 /nfs/dbraw/zinc/32/12/25/279321225.db2.gz KFNPPNSNXNVXPL-ULQDDVLXSA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000363802813 279321227 /nfs/dbraw/zinc/32/12/27/279321227.db2.gz KFNPPNSNXNVXPL-ULQDDVLXSA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)CCCOC)C[C@H]1C ZINC000361790683 279396837 /nfs/dbraw/zinc/39/68/37/279396837.db2.gz VPZZWBWTYAKURL-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+](C)CCCOC)C[C@H]1C ZINC000361790683 279396838 /nfs/dbraw/zinc/39/68/38/279396838.db2.gz VPZZWBWTYAKURL-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+](C)CCCOC)C[C@H]1C ZINC000361790683 279396839 /nfs/dbraw/zinc/39/68/39/279396839.db2.gz VPZZWBWTYAKURL-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000340962981 280248185 /nfs/dbraw/zinc/24/81/85/280248185.db2.gz PJSHAROMUQHIRF-ULQDDVLXSA-N 2 1 339.528 1.040 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000340962981 280248188 /nfs/dbraw/zinc/24/81/88/280248188.db2.gz PJSHAROMUQHIRF-ULQDDVLXSA-N 2 1 339.528 1.040 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000340962981 280248189 /nfs/dbraw/zinc/24/81/89/280248189.db2.gz PJSHAROMUQHIRF-ULQDDVLXSA-N 2 1 339.528 1.040 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262224958 280277608 /nfs/dbraw/zinc/27/76/08/280277608.db2.gz JUUIZXHBFWKEME-OAHLLOKOSA-N 2 1 325.497 1.759 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000366458309 280397028 /nfs/dbraw/zinc/39/70/28/280397028.db2.gz BIDRZWSOCGSIRG-ZIAGYGMSSA-N 2 1 348.472 1.813 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCOCC1 ZINC000073235798 282037480 /nfs/dbraw/zinc/03/74/80/282037480.db2.gz WCHONTPAMTUGDY-OAHLLOKOSA-N 2 1 338.496 1.413 20 0 EDADMP c1cnn([C@H]2CC[NH+](CCOCC[N@H+]3CC[C@H](n4cccn4)C3)C2)c1 ZINC000292024878 289242146 /nfs/dbraw/zinc/24/21/46/289242146.db2.gz YOGCRYUMWPEHBR-ROUUACIJSA-N 2 1 344.463 1.290 20 0 EDADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)NC(=O)NCc3ccccc3)C2)C1 ZINC000292037682 289245399 /nfs/dbraw/zinc/24/53/99/289245399.db2.gz ADWRBCPOBLANCB-IBGZPJMESA-N 2 1 344.459 1.430 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)NC(=O)NCc3ccccc3)C2)C1 ZINC000292037682 289245402 /nfs/dbraw/zinc/24/54/02/289245402.db2.gz ADWRBCPOBLANCB-IBGZPJMESA-N 2 1 344.459 1.430 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)C2)C1 ZINC000292037682 289245405 /nfs/dbraw/zinc/24/54/05/289245405.db2.gz ADWRBCPOBLANCB-IBGZPJMESA-N 2 1 344.459 1.430 20 0 EDADMP CN(C(=O)[C@]1([NH+](C)C)CCOc2ccccc21)C1CC[NH+](C)CC1 ZINC000369087684 289336694 /nfs/dbraw/zinc/33/66/94/289336694.db2.gz LESKUUDFOLTCNA-IBGZPJMESA-N 2 1 331.460 1.779 20 0 EDADMP C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC[C@H]1CCC[NH+]1C ZINC000292622138 289397058 /nfs/dbraw/zinc/39/70/58/289397058.db2.gz GDRXKLCJBCDWRA-CQSZACIVSA-N 2 1 341.477 1.129 20 0 EDADMP C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC[C@H]1CCC[NH+]1C ZINC000292622138 289397060 /nfs/dbraw/zinc/39/70/60/289397060.db2.gz GDRXKLCJBCDWRA-CQSZACIVSA-N 2 1 341.477 1.129 20 0 EDADMP C[NH+](CCOc1ccc(S(N)(=O)=O)cc1)CC[C@H]1CCC[N@@H+]1C ZINC000292622138 289397061 /nfs/dbraw/zinc/39/70/61/289397061.db2.gz GDRXKLCJBCDWRA-CQSZACIVSA-N 2 1 341.477 1.129 20 0 EDADMP C[NH+](CCOc1ccc(S(N)(=O)=O)cc1)CC[C@H]1CCC[N@H+]1C ZINC000292622138 289397062 /nfs/dbraw/zinc/39/70/62/289397062.db2.gz GDRXKLCJBCDWRA-CQSZACIVSA-N 2 1 341.477 1.129 20 0 EDADMP C[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000369128797 289661890 /nfs/dbraw/zinc/66/18/90/289661890.db2.gz YGEAULJUWYWFJH-KLAILNCOSA-N 2 1 338.496 1.271 20 0 EDADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354935940 293099538 /nfs/dbraw/zinc/09/95/38/293099538.db2.gz SZYNQJASKSICJY-KGLIPLIRSA-N 2 1 347.442 1.589 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000418802716 304532351 /nfs/dbraw/zinc/53/23/51/304532351.db2.gz YHRDKTYQQIZCOA-ZWKOTPCHSA-N 2 1 330.476 1.684 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H]2CC[C@@H](C)C2)C1 ZINC000429575054 305032373 /nfs/dbraw/zinc/03/23/73/305032373.db2.gz IQSJNYYFGILVOA-IXDOHACOSA-N 2 1 325.497 1.580 20 0 EDADMP CC[NH2+]CC1CC[NH+](CC(=O)N(C)c2ccccc2C(=O)OC)CC1 ZINC000420282102 304743033 /nfs/dbraw/zinc/74/30/33/304743033.db2.gz APQDXILLNLYYSJ-UHFFFAOYSA-N 2 1 347.459 1.758 20 0 EDADMP O[C@@H]1CC[N@@H+](C2CCN(c3cc[nH+]cc3Br)CC2)C1 ZINC000664599226 453234789 /nfs/dbraw/zinc/23/47/89/453234789.db2.gz YYMBKXRWOQTIQH-GFCCVEGCSA-N 2 1 326.238 1.880 20 0 EDADMP O[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3Br)CC2)C1 ZINC000664599226 453234795 /nfs/dbraw/zinc/23/47/95/453234795.db2.gz YYMBKXRWOQTIQH-GFCCVEGCSA-N 2 1 326.238 1.880 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cn2cc[nH+]c12 ZINC000293983501 303047562 /nfs/dbraw/zinc/04/75/62/303047562.db2.gz BXSUNZGTTQSFSA-UKRRQHHQSA-N 2 1 343.431 1.426 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cn2cc[nH+]c12 ZINC000293983501 303047564 /nfs/dbraw/zinc/04/75/64/303047564.db2.gz BXSUNZGTTQSFSA-UKRRQHHQSA-N 2 1 343.431 1.426 20 0 EDADMP Cn1nccc1[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC(=O)N1C ZINC000345003635 303084049 /nfs/dbraw/zinc/08/40/49/303084049.db2.gz WYGMMFNUPLGSKX-LLDVTBCESA-N 2 1 331.464 1.298 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000295042284 303166206 /nfs/dbraw/zinc/16/62/06/303166206.db2.gz POCICCOLOSWJTP-GJJHYRHESA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000295042284 303166208 /nfs/dbraw/zinc/16/62/08/303166208.db2.gz POCICCOLOSWJTP-GJJHYRHESA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000295042284 303166209 /nfs/dbraw/zinc/16/62/09/303166209.db2.gz POCICCOLOSWJTP-GJJHYRHESA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000295042284 303166212 /nfs/dbraw/zinc/16/62/12/303166212.db2.gz POCICCOLOSWJTP-GJJHYRHESA-N 3 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000295042284 303166213 /nfs/dbraw/zinc/16/62/13/303166213.db2.gz POCICCOLOSWJTP-GJJHYRHESA-N 3 1 331.504 1.724 20 0 EDADMP Cc1nc2ccccc2n1CC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456208444 447328232 /nfs/dbraw/zinc/32/82/32/447328232.db2.gz IKWDUOLAJWQUSR-OKILXGFUSA-N 2 1 330.432 1.258 20 0 EDADMP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662700708 453421810 /nfs/dbraw/zinc/42/18/10/453421810.db2.gz JZPGYLYJZFDFPC-FZMZJTMJSA-N 2 1 340.265 1.907 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662700708 453421820 /nfs/dbraw/zinc/42/18/20/453421820.db2.gz JZPGYLYJZFDFPC-FZMZJTMJSA-N 2 1 340.265 1.907 20 0 EDADMP CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420915088 304783416 /nfs/dbraw/zinc/78/34/16/304783416.db2.gz DJXVNCAMAVLXNF-ZWKOTPCHSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)C1C[NH2+]C1 ZINC000422941717 304880878 /nfs/dbraw/zinc/88/08/78/304880878.db2.gz VPDLQPQZNORION-SECBINFHSA-N 2 1 327.222 1.918 20 0 EDADMP C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430604307 305058232 /nfs/dbraw/zinc/05/82/32/305058232.db2.gz MPURRESIOBCDJE-UHFFFAOYSA-N 2 1 345.365 1.448 20 0 EDADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430604307 305058233 /nfs/dbraw/zinc/05/82/33/305058233.db2.gz MPURRESIOBCDJE-UHFFFAOYSA-N 2 1 345.365 1.448 20 0 EDADMP COc1ccccc1OCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430611044 305058803 /nfs/dbraw/zinc/05/88/03/305058803.db2.gz NHNBYRFYOTWVRI-MRXNPFEDSA-N 2 1 347.459 1.218 20 0 EDADMP COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000430611863 305058911 /nfs/dbraw/zinc/05/89/11/305058911.db2.gz PWZYXCRJRUKQBB-ZBFHGGJFSA-N 2 1 349.475 1.422 20 0 EDADMP COc1ccc(CCNC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000430611863 305058912 /nfs/dbraw/zinc/05/89/12/305058912.db2.gz PWZYXCRJRUKQBB-ZBFHGGJFSA-N 2 1 349.475 1.422 20 0 EDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000430624889 305059723 /nfs/dbraw/zinc/05/97/23/305059723.db2.gz JMRWSIWLJKAEBU-HNNXBMFYSA-N 2 1 329.444 1.994 20 0 EDADMP O=C([C@@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000430624428 305059797 /nfs/dbraw/zinc/05/97/97/305059797.db2.gz ILCUCNWTRXQVGR-OAHLLOKOSA-N 2 1 335.423 1.348 20 0 EDADMP COCC[NH2+]CC(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000430691071 305062372 /nfs/dbraw/zinc/06/23/72/305062372.db2.gz IEKVWYRLUYYDHZ-SFHVURJKSA-N 2 1 333.476 1.422 20 0 EDADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000430918576 305067899 /nfs/dbraw/zinc/06/78/99/305067899.db2.gz HYFUZKWMGLMGNG-UHFFFAOYSA-N 2 1 333.432 1.718 20 0 EDADMP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430933356 305069012 /nfs/dbraw/zinc/06/90/12/305069012.db2.gz HYQFFVOWJGMUPY-CYBMUJFWSA-N 2 1 327.375 1.527 20 0 EDADMP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430933356 305069011 /nfs/dbraw/zinc/06/90/11/305069011.db2.gz HYQFFVOWJGMUPY-CYBMUJFWSA-N 2 1 327.375 1.527 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430936508 305069215 /nfs/dbraw/zinc/06/92/15/305069215.db2.gz ZARHTOUDNVFTGN-HNNXBMFYSA-N 2 1 335.448 1.333 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430936508 305069216 /nfs/dbraw/zinc/06/92/16/305069216.db2.gz ZARHTOUDNVFTGN-HNNXBMFYSA-N 2 1 335.448 1.333 20 0 EDADMP COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000430938387 305069388 /nfs/dbraw/zinc/06/93/88/305069388.db2.gz HUBATMJYVHWILC-HIFRSBDPSA-N 2 1 335.448 1.032 20 0 EDADMP COc1ccc(CCNC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000430938387 305069389 /nfs/dbraw/zinc/06/93/89/305069389.db2.gz HUBATMJYVHWILC-HIFRSBDPSA-N 2 1 335.448 1.032 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000431048380 305073609 /nfs/dbraw/zinc/07/36/09/305073609.db2.gz JULHEIWOSXNGCY-FGTMMUONSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)C1CC[NH2+]CC1 ZINC000431077862 305074337 /nfs/dbraw/zinc/07/43/37/305074337.db2.gz DFSFAJBWHBLOOV-UHFFFAOYSA-N 2 1 346.475 1.867 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000433072630 305099710 /nfs/dbraw/zinc/09/97/10/305099710.db2.gz PAWOCKAUDMCPQC-ZGUYJTEBSA-N 2 1 337.508 1.628 20 0 EDADMP O=C(Nc1c[nH+]ccc1-n1ccnc1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433385042 305107122 /nfs/dbraw/zinc/10/71/22/305107122.db2.gz LROWEUOIHVHRMZ-GFCCVEGCSA-N 2 1 338.375 1.036 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC[C@H]1CCOC1 ZINC000433939214 305115111 /nfs/dbraw/zinc/11/51/11/305115111.db2.gz FMIGEKCLKNSOSA-IRXDYDNUSA-N 2 1 325.497 1.678 20 0 EDADMP CC[N@H+](CC(=O)NCc1ccccc1COC)[C@H]1CCC[NH2+]CC1 ZINC000435615542 305143488 /nfs/dbraw/zinc/14/34/88/305143488.db2.gz PPONJCVZUFSHFU-SFHVURJKSA-N 2 1 333.476 1.913 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccccc1COC)[C@H]1CCC[NH2+]CC1 ZINC000435615542 305143489 /nfs/dbraw/zinc/14/34/89/305143489.db2.gz PPONJCVZUFSHFU-SFHVURJKSA-N 2 1 333.476 1.913 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000435859125 305148396 /nfs/dbraw/zinc/14/83/96/305148396.db2.gz VIXNUQLUSAJQFA-HNNXBMFYSA-N 2 1 340.512 1.347 20 0 EDADMP CCOc1ccc(OCC[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436064755 305151956 /nfs/dbraw/zinc/15/19/56/305151956.db2.gz NGWVPRNVHAWRSV-MRXNPFEDSA-N 2 1 349.475 1.784 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2CC(C)C)C1 ZINC000438854430 305190227 /nfs/dbraw/zinc/19/02/27/305190227.db2.gz WITPOCXLXBMWGX-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000438854430 305190228 /nfs/dbraw/zinc/19/02/28/305190228.db2.gz WITPOCXLXBMWGX-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000438854430 305190229 /nfs/dbraw/zinc/19/02/29/305190229.db2.gz WITPOCXLXBMWGX-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP Cc1cccc(NCCNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)[nH+]1 ZINC000438889007 305190473 /nfs/dbraw/zinc/19/04/73/305190473.db2.gz XQJYWDOWAVQUOY-INIZCTEOSA-N 2 1 337.427 1.969 20 0 EDADMP C[N@H+](CC(=O)NCCN1CC[NH+](C)C(C)(C)C1)Cc1ccccc1 ZINC000442959483 305232142 /nfs/dbraw/zinc/23/21/42/305232142.db2.gz AEKQSRBPCXYYAJ-UHFFFAOYSA-N 2 1 332.492 1.261 20 0 EDADMP C[N@@H+](CC(=O)NCCN1CC[NH+](C)C(C)(C)C1)Cc1ccccc1 ZINC000442959483 305232143 /nfs/dbraw/zinc/23/21/43/305232143.db2.gz AEKQSRBPCXYYAJ-UHFFFAOYSA-N 2 1 332.492 1.261 20 0 EDADMP C[NH+](CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000442959483 305232144 /nfs/dbraw/zinc/23/21/44/305232144.db2.gz AEKQSRBPCXYYAJ-UHFFFAOYSA-N 2 1 332.492 1.261 20 0 EDADMP C[NH+](CC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000442959483 305232145 /nfs/dbraw/zinc/23/21/45/305232145.db2.gz AEKQSRBPCXYYAJ-UHFFFAOYSA-N 2 1 332.492 1.261 20 0 EDADMP Cc1cccc(OCCCNC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443063827 305234441 /nfs/dbraw/zinc/23/44/41/305234441.db2.gz XGUNZRQVXXRRTE-QGZVFWFLSA-N 2 1 333.476 1.941 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444264857 305244742 /nfs/dbraw/zinc/24/47/42/305244742.db2.gz DEYYJBPWRADHGL-POAQFYNOSA-N 2 1 342.487 1.313 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000447302748 305277482 /nfs/dbraw/zinc/27/74/82/305277482.db2.gz FYNUIGHQLIUSEY-BVIKNXMNSA-N 2 1 328.497 1.641 20 0 EDADMP OC(C[NH+]1CCC[C@@H]2COCC[C@@H]21)C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000447316473 305278185 /nfs/dbraw/zinc/27/81/85/305278185.db2.gz YSXBVZSNVNAZOA-FPAYPSAMSA-N 2 1 338.492 1.349 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC000448252069 305294293 /nfs/dbraw/zinc/29/42/93/305294293.db2.gz KZGPUGHRUFZSHY-JKSUJKDBSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC000448252069 305294294 /nfs/dbraw/zinc/29/42/94/305294294.db2.gz KZGPUGHRUFZSHY-JKSUJKDBSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC000448252069 305294295 /nfs/dbraw/zinc/29/42/95/305294295.db2.gz KZGPUGHRUFZSHY-JKSUJKDBSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC000448252069 305294296 /nfs/dbraw/zinc/29/42/96/305294296.db2.gz KZGPUGHRUFZSHY-JKSUJKDBSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449342508 305312188 /nfs/dbraw/zinc/31/21/88/305312188.db2.gz BYHARWVPQIEQHP-PKOBYXMFSA-N 2 1 331.460 1.145 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000449714152 305317874 /nfs/dbraw/zinc/31/78/74/305317874.db2.gz ZSPPTKLPGHYMKK-ZWKOTPCHSA-N 2 1 331.460 1.536 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000451735932 305365811 /nfs/dbraw/zinc/36/58/11/305365811.db2.gz FEYYSFGWMFPHEE-OALUTQOASA-N 2 1 346.519 1.822 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000457985521 305497944 /nfs/dbraw/zinc/49/79/44/305497944.db2.gz ULRHVAQMANWZDU-HNNXBMFYSA-N 2 1 341.496 1.151 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)C[NH+]1CCOCC1 ZINC000458408776 447351443 /nfs/dbraw/zinc/35/14/43/447351443.db2.gz HAYAUERLBBFJME-SJLPKXTDSA-N 2 1 338.496 1.082 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)C[NH+]1CCOCC1 ZINC000458408776 447351445 /nfs/dbraw/zinc/35/14/45/447351445.db2.gz HAYAUERLBBFJME-SJLPKXTDSA-N 2 1 338.496 1.082 20 0 EDADMP COc1ccc(C)cc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000542783847 306058276 /nfs/dbraw/zinc/05/82/76/306058276.db2.gz XKLFCFGMCNWTQC-UHFFFAOYSA-N 2 1 334.460 1.663 20 0 EDADMP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000543713871 306067672 /nfs/dbraw/zinc/06/76/72/306067672.db2.gz LMSKQPCXCGMGMN-WMZOPIPTSA-N 2 1 331.460 1.900 20 0 EDADMP CC[C@H]1C[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC(=O)N1 ZINC000544505964 306075417 /nfs/dbraw/zinc/07/54/17/306075417.db2.gz RRVRHSGJARCTRB-KBPBESRZSA-N 2 1 345.447 1.077 20 0 EDADMP CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000544602899 306077156 /nfs/dbraw/zinc/07/71/56/306077156.db2.gz MDFQBNYDWVAMCL-OFQRWUPVSA-N 2 1 331.526 1.366 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1coc(COC)n1 ZINC000547518436 306103265 /nfs/dbraw/zinc/10/32/65/306103265.db2.gz IVXULMYWHVPAJP-AWEZNQCLSA-N 2 1 338.452 1.309 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000553164496 306183327 /nfs/dbraw/zinc/18/33/27/306183327.db2.gz SRZTYIWMVOWYFK-QGZVFWFLSA-N 2 1 337.508 1.727 20 0 EDADMP CC(C)[NH2+]CCC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000553981926 306188457 /nfs/dbraw/zinc/18/84/57/306188457.db2.gz VPDLHZFSEPQVPG-IBGZPJMESA-N 2 1 346.519 1.870 20 0 EDADMP CC(C)[NH2+]CCC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000553981926 306188458 /nfs/dbraw/zinc/18/84/58/306188458.db2.gz VPDLHZFSEPQVPG-IBGZPJMESA-N 2 1 346.519 1.870 20 0 EDADMP CC(C)[NH2+]CCC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000553981926 306188459 /nfs/dbraw/zinc/18/84/59/306188459.db2.gz VPDLHZFSEPQVPG-IBGZPJMESA-N 2 1 346.519 1.870 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C[NH+]3CCO[C@H](C)C3)c2)C1 ZINC000557568499 306229469 /nfs/dbraw/zinc/22/94/69/306229469.db2.gz DLPGJACRVBXUEL-IAGOWNOFSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C[NH+]3CCO[C@H](C)C3)c2)C1 ZINC000557568499 306229470 /nfs/dbraw/zinc/22/94/70/306229470.db2.gz DLPGJACRVBXUEL-IAGOWNOFSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000557568499 306229471 /nfs/dbraw/zinc/22/94/71/306229471.db2.gz DLPGJACRVBXUEL-IAGOWNOFSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000557568499 306229472 /nfs/dbraw/zinc/22/94/72/306229472.db2.gz DLPGJACRVBXUEL-IAGOWNOFSA-N 2 1 345.487 1.865 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2C[NH2+]C)C[C@H]1C ZINC000414946595 447369647 /nfs/dbraw/zinc/36/96/47/447369647.db2.gz UEJVWRCKNWSDMX-GDBMZVCRSA-N 2 1 346.475 1.676 20 0 EDADMP COC[C@]1(C[NH2+][C@@H](C)Cn2cc(Br)cn2)CCC[NH2+]1 ZINC000414948617 447369661 /nfs/dbraw/zinc/36/96/61/447369661.db2.gz XWMDGVAKJSXERU-WCQYABFASA-N 2 1 331.258 1.392 20 0 EDADMP COC[C@@]1(C[NH2+][C@H](C)CC(=O)Nc2cccc(OC)c2)CCC[NH2+]1 ZINC000414948660 447368435 /nfs/dbraw/zinc/36/84/35/447368435.db2.gz XZFQZOBJKKGLNW-KDOFPFPSSA-N 2 1 335.448 1.771 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](CCO[C@@H]3CC3(F)F)CC2)CC1 ZINC000660835308 453597293 /nfs/dbraw/zinc/59/72/93/453597293.db2.gz UITWFXYISQSRPH-MRXNPFEDSA-N 2 1 331.451 1.903 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)C[NH+]1CCOCC1 ZINC000660850346 453607374 /nfs/dbraw/zinc/60/73/74/453607374.db2.gz UOZSSHLSXWIYHW-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)C[NH+]1CCOCC1 ZINC000660850346 453607376 /nfs/dbraw/zinc/60/73/76/453607376.db2.gz UOZSSHLSXWIYHW-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426321764 447415140 /nfs/dbraw/zinc/41/51/40/447415140.db2.gz FNMPQLPPMVSULI-KRWDZBQOSA-N 2 1 335.492 1.765 20 0 EDADMP C[NH+](C)C1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000422258822 447427696 /nfs/dbraw/zinc/42/76/96/447427696.db2.gz KOMBRIZNASFYSQ-GPANFISMSA-N 2 1 326.485 1.005 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCc1cn(C)cn1 ZINC000458620513 447427934 /nfs/dbraw/zinc/42/79/34/447427934.db2.gz NQNIXTQXSXEWPC-HNNXBMFYSA-N 2 1 329.448 1.782 20 0 EDADMP C[C@@H](CNC(=O)NCc1ccccc1OCC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000105205382 441241639 /nfs/dbraw/zinc/24/16/39/441241639.db2.gz WMCWRCRFLLYTAF-HNNXBMFYSA-N 2 1 348.491 1.909 20 0 EDADMP CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000104834120 441214109 /nfs/dbraw/zinc/21/41/09/441214109.db2.gz ZSWPOVQALPHGFZ-IBGZPJMESA-N 2 1 345.487 1.785 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000072908388 441276768 /nfs/dbraw/zinc/27/67/68/441276768.db2.gz XOHNKJZXHIBKEC-KRWDZBQOSA-N 2 1 334.464 1.131 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000072908388 441276772 /nfs/dbraw/zinc/27/67/72/441276772.db2.gz XOHNKJZXHIBKEC-KRWDZBQOSA-N 2 1 334.464 1.131 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000072908388 441276776 /nfs/dbraw/zinc/27/67/76/441276776.db2.gz XOHNKJZXHIBKEC-KRWDZBQOSA-N 2 1 334.464 1.131 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000072908388 441276779 /nfs/dbraw/zinc/27/67/79/441276779.db2.gz XOHNKJZXHIBKEC-KRWDZBQOSA-N 2 1 334.464 1.131 20 0 EDADMP CN1CC[NH+](CCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000063667034 441342067 /nfs/dbraw/zinc/34/20/67/441342067.db2.gz VAMDHOBNPDEJAN-UHFFFAOYSA-N 2 1 344.503 1.650 20 0 EDADMP CC[N@H+](CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C(C)C ZINC000074056032 441386915 /nfs/dbraw/zinc/38/69/15/441386915.db2.gz BRCDPRHABRRKMB-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C(C)C ZINC000074056032 441386918 /nfs/dbraw/zinc/38/69/18/441386918.db2.gz BRCDPRHABRRKMB-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP CN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000073988527 441377449 /nfs/dbraw/zinc/37/74/49/441377449.db2.gz CTLYULIEBXWLBV-KRWDZBQOSA-N 2 1 345.491 1.146 20 0 EDADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000074231587 441411399 /nfs/dbraw/zinc/41/13/99/441411399.db2.gz XWAUBAUPCLXRBQ-QGZVFWFLSA-N 2 1 341.496 1.057 20 0 EDADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000074231587 441411404 /nfs/dbraw/zinc/41/14/04/441411404.db2.gz XWAUBAUPCLXRBQ-QGZVFWFLSA-N 2 1 341.496 1.057 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000085363358 441434577 /nfs/dbraw/zinc/43/45/77/441434577.db2.gz JSXVESRCSGCARB-HOTGVXAUSA-N 2 1 342.528 1.619 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000074176958 441403889 /nfs/dbraw/zinc/40/38/89/441403889.db2.gz QWYWFXBOEJSTFD-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000074176958 441403895 /nfs/dbraw/zinc/40/38/95/441403895.db2.gz QWYWFXBOEJSTFD-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP Cn1cc(CCC[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000111241742 441530357 /nfs/dbraw/zinc/53/03/57/441530357.db2.gz XZMQFOFUMULWTP-UHFFFAOYSA-N 2 1 347.507 1.229 20 0 EDADMP C[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000039051570 441616377 /nfs/dbraw/zinc/61/63/77/441616377.db2.gz LTQYROHLIRXKDM-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP CN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000039051570 441616382 /nfs/dbraw/zinc/61/63/82/441616382.db2.gz LTQYROHLIRXKDM-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP CN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000039051570 441616386 /nfs/dbraw/zinc/61/63/86/441616386.db2.gz LTQYROHLIRXKDM-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090121605 441621635 /nfs/dbraw/zinc/62/16/35/441621635.db2.gz XBHHUVSRGXLCAL-QAPCUYQASA-N 3 1 332.492 1.408 20 0 EDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090121605 441621640 /nfs/dbraw/zinc/62/16/40/441621640.db2.gz XBHHUVSRGXLCAL-QAPCUYQASA-N 2 1 332.492 1.408 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)[C@H](C)C1 ZINC000090231604 441627564 /nfs/dbraw/zinc/62/75/64/441627564.db2.gz XHFLZQUGBPQJNM-CZUORRHYSA-N 2 1 329.510 1.263 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000076309903 441627612 /nfs/dbraw/zinc/62/76/12/441627612.db2.gz YOQADPUGFPQREU-DOTOQJQBSA-N 2 1 325.497 1.770 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000067507151 441646563 /nfs/dbraw/zinc/64/65/63/441646563.db2.gz PVWCAMLUUYPZQL-MRXNPFEDSA-N 2 1 333.476 1.974 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000067507151 441646566 /nfs/dbraw/zinc/64/65/66/441646566.db2.gz PVWCAMLUUYPZQL-MRXNPFEDSA-N 2 1 333.476 1.974 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000137403907 441767456 /nfs/dbraw/zinc/76/74/56/441767456.db2.gz SDNAJLPKOOEJAQ-DLBZAZTESA-N 2 1 335.517 1.713 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000173891212 441857388 /nfs/dbraw/zinc/85/73/88/441857388.db2.gz UICSJUIDFHHWQM-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCOC1 ZINC000174188578 441900537 /nfs/dbraw/zinc/90/05/37/441900537.db2.gz DJOCBPLOAOVPIZ-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP COCC[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000124284020 441915438 /nfs/dbraw/zinc/91/54/38/441915438.db2.gz JZZBSKMECPDTLP-MRXNPFEDSA-N 2 1 349.475 1.862 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174172125 441898264 /nfs/dbraw/zinc/89/82/64/441898264.db2.gz DDQJEYJZNFKIQU-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(C)COC1 ZINC000174884411 441977940 /nfs/dbraw/zinc/97/79/40/441977940.db2.gz GRVFBVKBWMIQIS-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP CC[C@@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)[NH+](C)C ZINC000124920966 441966259 /nfs/dbraw/zinc/96/62/59/441966259.db2.gz ZDXQOXPKWNAAPT-JKSUJKDBSA-N 2 1 332.448 1.415 20 0 EDADMP CC[C@@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)[NH+](C)C ZINC000124920966 441966264 /nfs/dbraw/zinc/96/62/64/441966264.db2.gz ZDXQOXPKWNAAPT-JKSUJKDBSA-N 2 1 332.448 1.415 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000174957986 441989180 /nfs/dbraw/zinc/98/91/80/441989180.db2.gz XESKFPUBVKHOQJ-INIZCTEOSA-N 2 1 347.459 1.695 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000125296611 442006097 /nfs/dbraw/zinc/00/60/97/442006097.db2.gz RGVRBUPKKJAXII-HKUYNNGSSA-N 2 1 346.519 1.900 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000079092787 442017554 /nfs/dbraw/zinc/01/75/54/442017554.db2.gz WBBLSANGNOQMIB-XHSDSOJGSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000079092787 442017560 /nfs/dbraw/zinc/01/75/60/442017560.db2.gz WBBLSANGNOQMIB-XHSDSOJGSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000079092787 442017567 /nfs/dbraw/zinc/01/75/67/442017567.db2.gz WBBLSANGNOQMIB-XHSDSOJGSA-N 2 1 338.496 1.269 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC[N@H+]1CCOC ZINC000161703930 442025553 /nfs/dbraw/zinc/02/55/53/442025553.db2.gz QYYAPZWNNJZOHB-NVXWUHKLSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC[NH+]1CCOC ZINC000161703930 442025558 /nfs/dbraw/zinc/02/55/58/442025558.db2.gz QYYAPZWNNJZOHB-NVXWUHKLSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC[NH+]1CCOC ZINC000161703930 442025564 /nfs/dbraw/zinc/02/55/64/442025564.db2.gz QYYAPZWNNJZOHB-NVXWUHKLSA-N 2 1 340.512 1.611 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H](CCO)C(C)C)CC1 ZINC000161961275 442048903 /nfs/dbraw/zinc/04/89/03/442048903.db2.gz PWXSSSKVWNBCKD-LJQANCHMSA-N 2 1 347.503 1.636 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000175375549 442052705 /nfs/dbraw/zinc/05/27/05/442052705.db2.gz HZCMNEODYIKGAZ-QGZVFWFLSA-N 2 1 338.496 1.225 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc3c(c2)nc(C)n3[C@H](C)CO)C1 ZINC000456721592 447445878 /nfs/dbraw/zinc/44/58/78/447445878.db2.gz QUGGGZZWRPQHJA-PXAZEXFGSA-N 2 1 346.431 1.557 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000175552744 442084488 /nfs/dbraw/zinc/08/44/88/442084488.db2.gz NTABZCCLJWQWIG-YQQAZPJKSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000175552744 442084491 /nfs/dbraw/zinc/08/44/91/442084491.db2.gz NTABZCCLJWQWIG-YQQAZPJKSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000175552744 442084496 /nfs/dbraw/zinc/08/44/96/442084496.db2.gz NTABZCCLJWQWIG-YQQAZPJKSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@H]1CN(C(=O)NCCCC[NH+]2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175672720 442103397 /nfs/dbraw/zinc/10/33/97/442103397.db2.gz FKPZHAZWPVBVNS-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000176044802 442166529 /nfs/dbraw/zinc/16/65/29/442166529.db2.gz NQVDLQXOWOMAPX-GVDBMIGSSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@@H]1CCN(CC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000121166751 442186582 /nfs/dbraw/zinc/18/65/82/442186582.db2.gz XCEJDMJYYXAZHV-GOSISDBHSA-N 2 1 344.503 1.357 20 0 EDADMP C[C@@H]1CCN(CC(=O)N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000121166751 442186586 /nfs/dbraw/zinc/18/65/86/442186586.db2.gz XCEJDMJYYXAZHV-GOSISDBHSA-N 2 1 344.503 1.357 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@@H]1CCSC1 ZINC000164276478 442194474 /nfs/dbraw/zinc/19/44/74/442194474.db2.gz MCVDXUUEVKETMX-MRXNPFEDSA-N 2 1 325.522 1.758 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C[N@H+]1C1CC1 ZINC000127420409 442201322 /nfs/dbraw/zinc/20/13/22/442201322.db2.gz HNDIJDKYULTLNV-LSDHHAIUSA-N 2 1 336.480 1.118 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000167249669 442219726 /nfs/dbraw/zinc/21/97/26/442219726.db2.gz SXVXPLKQKTUHPL-MSOLQXFVSA-N 2 1 333.476 1.812 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000167253959 442219743 /nfs/dbraw/zinc/21/97/43/442219743.db2.gz SNLDPKKKMFFYLP-ZWKOTPCHSA-N 2 1 333.476 1.954 20 0 EDADMP C[C@H](CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000167320954 442220153 /nfs/dbraw/zinc/22/01/53/442220153.db2.gz JASGRLGLNHZHTH-AEFFLSMTSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)[C@@H](C)c2cccnc2)C1 ZINC000127768906 442224068 /nfs/dbraw/zinc/22/40/68/442224068.db2.gz OOZSKOIUWALUQG-FUHWJXTLSA-N 2 1 348.491 1.547 20 0 EDADMP CC(C)CN1CCO[C@H](CNC(=O)CN(C)[C@@H](C)c2cccnc2)C1 ZINC000127768906 442224071 /nfs/dbraw/zinc/22/40/71/442224071.db2.gz OOZSKOIUWALUQG-FUHWJXTLSA-N 2 1 348.491 1.547 20 0 EDADMP CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000152552178 442224746 /nfs/dbraw/zinc/22/47/46/442224746.db2.gz VHPIBVNDZAGINP-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[NH2+]C3)CC2)oc1C ZINC000168624405 442224870 /nfs/dbraw/zinc/22/48/70/442224870.db2.gz POORVULNFMNBDZ-INIZCTEOSA-N 2 1 334.464 1.619 20 0 EDADMP O=C(C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000152649281 442234443 /nfs/dbraw/zinc/23/44/43/442234443.db2.gz CAQVKPDGHILRHI-HDICACEKSA-N 2 1 349.519 1.870 20 0 EDADMP O=C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000152649281 442234446 /nfs/dbraw/zinc/23/44/46/442234446.db2.gz CAQVKPDGHILRHI-HDICACEKSA-N 2 1 349.519 1.870 20 0 EDADMP C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129459944 442317387 /nfs/dbraw/zinc/31/73/87/442317387.db2.gz CQKKSLCGKREPQS-PKOBYXMFSA-N 2 1 345.487 1.388 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000178388182 442429662 /nfs/dbraw/zinc/42/96/62/442429662.db2.gz PGPCMXQCIUWJSU-OAHLLOKOSA-N 2 1 338.496 1.938 20 0 EDADMP CNC(=O)NC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000178391243 442429738 /nfs/dbraw/zinc/42/97/38/442429738.db2.gz YQVFXLQRAXVGHV-HNNXBMFYSA-N 2 1 338.496 1.809 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178872982 442510317 /nfs/dbraw/zinc/51/03/17/442510317.db2.gz KGFLHRLIESWEBV-SFHVURJKSA-N 2 1 330.476 1.050 20 0 EDADMP COC(=O)C[C@H]1CSCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191552637 442462016 /nfs/dbraw/zinc/46/20/16/442462016.db2.gz JWXPYHMFUNKDNG-INIZCTEOSA-N 2 1 343.537 1.383 20 0 EDADMP Cc1ccc(N2CCC(C(=O)NC[C@@](C)(O)C[NH+](C)C)CC2)[nH+]c1 ZINC000178722367 442463770 /nfs/dbraw/zinc/46/37/70/442463770.db2.gz XHQXSXTWLHMMQP-GOSISDBHSA-N 2 1 334.464 1.035 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000179039562 442558417 /nfs/dbraw/zinc/55/84/17/442558417.db2.gz UHACKBCXYIFYMD-UHFFFAOYSA-N 2 1 334.464 1.543 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCC1=CC[NH2+]CC1 ZINC000186356888 442519135 /nfs/dbraw/zinc/51/91/35/442519135.db2.gz VOSXQNFREHCTSB-GOSISDBHSA-N 2 1 329.444 1.313 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC1=CC[NH2+]CC1 ZINC000186356888 442519136 /nfs/dbraw/zinc/51/91/36/442519136.db2.gz VOSXQNFREHCTSB-GOSISDBHSA-N 2 1 329.444 1.313 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)[C@](C)([NH3+])c3ccccc3)CC2)CCO1 ZINC000192522394 442657210 /nfs/dbraw/zinc/65/72/10/442657210.db2.gz BOBXQABJKNRHBC-HNAYVOBHSA-N 2 1 331.460 1.572 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000187461160 442677977 /nfs/dbraw/zinc/67/79/77/442677977.db2.gz HMMCOSMOZRXRST-OALUTQOASA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000187461160 442677979 /nfs/dbraw/zinc/67/79/79/442677979.db2.gz HMMCOSMOZRXRST-OALUTQOASA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000187461160 442677981 /nfs/dbraw/zinc/67/79/81/442677981.db2.gz HMMCOSMOZRXRST-OALUTQOASA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000187461160 442677984 /nfs/dbraw/zinc/67/79/84/442677984.db2.gz HMMCOSMOZRXRST-OALUTQOASA-N 2 1 345.487 1.734 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000187947554 442699557 /nfs/dbraw/zinc/69/95/57/442699557.db2.gz NPLPENNCHPNJCF-LEUOFYLZSA-N 2 1 331.460 1.533 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCO ZINC000187270878 442665722 /nfs/dbraw/zinc/66/57/22/442665722.db2.gz ABPRFCOVEBDBLR-IEBWSBKVSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCO ZINC000187270878 442665723 /nfs/dbraw/zinc/66/57/23/442665723.db2.gz ABPRFCOVEBDBLR-IEBWSBKVSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000187270878 442665726 /nfs/dbraw/zinc/66/57/26/442665726.db2.gz ABPRFCOVEBDBLR-IEBWSBKVSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000187270878 442665728 /nfs/dbraw/zinc/66/57/28/442665728.db2.gz ABPRFCOVEBDBLR-IEBWSBKVSA-N 2 1 345.487 1.424 20 0 EDADMP CCCCOC(=O)CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182563798 442787980 /nfs/dbraw/zinc/78/79/80/442787980.db2.gz AIDJPCICQNYIBK-JWTNVVGKSA-N 2 1 337.508 1.963 20 0 EDADMP CCCCOC(=O)CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182563798 442787985 /nfs/dbraw/zinc/78/79/85/442787985.db2.gz AIDJPCICQNYIBK-JWTNVVGKSA-N 2 1 337.508 1.963 20 0 EDADMP CCOC(=O)C[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000182663961 442803342 /nfs/dbraw/zinc/80/33/42/442803342.db2.gz ZOVVMXDXOJDPLA-AWEZNQCLSA-N 2 1 327.469 1.249 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)N[C@@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000182531574 442781455 /nfs/dbraw/zinc/78/14/55/442781455.db2.gz YWRDDLDRRUUDLS-LSDHHAIUSA-N 2 1 346.475 1.848 20 0 EDADMP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246478329 442784875 /nfs/dbraw/zinc/78/48/75/442784875.db2.gz GKWPXOGSOPENST-DSLXNQLJSA-N 2 1 338.492 1.492 20 0 EDADMP O[C@H](COC[C@@H]1CCCO1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246478329 442784879 /nfs/dbraw/zinc/78/48/79/442784879.db2.gz GKWPXOGSOPENST-DSLXNQLJSA-N 2 1 338.492 1.492 20 0 EDADMP O[C@H](COC[C@@H]1CCCO1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246478329 442784884 /nfs/dbraw/zinc/78/48/84/442784884.db2.gz GKWPXOGSOPENST-DSLXNQLJSA-N 2 1 338.492 1.492 20 0 EDADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000268036493 442825258 /nfs/dbraw/zinc/82/52/58/442825258.db2.gz WRONEBABZPALKR-AEFFLSMTSA-N 2 1 335.492 1.980 20 0 EDADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183150818 442889904 /nfs/dbraw/zinc/88/99/04/442889904.db2.gz RXPOGBQPAWCATQ-RYUDHWBXSA-N 2 1 329.404 1.675 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1CO ZINC000248890642 442934922 /nfs/dbraw/zinc/93/49/22/442934922.db2.gz FRRFGAYDZCXXHU-LPHOPBHVSA-N 2 1 345.487 1.601 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCOCC2)cc1 ZINC000183685952 442953749 /nfs/dbraw/zinc/95/37/49/442953749.db2.gz RWGGKQDAONHHHC-BEFAXECRSA-N 2 1 344.459 1.524 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCn2c(C)csc2=O)[C@@H](C)C1 ZINC000249439271 442974753 /nfs/dbraw/zinc/97/47/53/442974753.db2.gz LRXVRRMFMAYHDI-GOEBONIOSA-N 2 1 341.521 1.945 20 0 EDADMP CC[C@]1(CO)CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249599141 442994083 /nfs/dbraw/zinc/99/40/83/442994083.db2.gz XSPFTAJDVJCQEV-QUCCMNQESA-N 2 1 347.503 1.890 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000266151348 443036769 /nfs/dbraw/zinc/03/67/69/443036769.db2.gz XAGXMQUBTXTFBM-BBRMVZONSA-N 2 1 325.478 1.878 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268793081 443109891 /nfs/dbraw/zinc/10/98/91/443109891.db2.gz CLUMAJTVYXMWSQ-PKOBYXMFSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000268793081 443109894 /nfs/dbraw/zinc/10/98/94/443109894.db2.gz CLUMAJTVYXMWSQ-PKOBYXMFSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)[C@H](C)C1 ZINC000268800759 443113121 /nfs/dbraw/zinc/11/31/21/443113121.db2.gz KBZQUMRCYWKFDB-APWZRJJASA-N 2 1 345.487 1.979 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)[C@H](C)C1 ZINC000268800759 443113126 /nfs/dbraw/zinc/11/31/26/443113126.db2.gz KBZQUMRCYWKFDB-APWZRJJASA-N 2 1 345.487 1.979 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCc3ccc4c(c3)CCO4)C2)CC1 ZINC000266565747 443170081 /nfs/dbraw/zinc/17/00/81/443170081.db2.gz ZQBHSWFNPSOPIG-LJQANCHMSA-N 2 1 329.488 1.876 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1CO ZINC000190837564 443192182 /nfs/dbraw/zinc/19/21/82/443192182.db2.gz KLVRGKNILPJARU-APWZRJJASA-N 2 1 345.487 1.459 20 0 EDADMP CN1CCO[C@@H]2CN(C(=O)NCCC[N@@H+](C)Cc3ccccc3)C[C@H]21 ZINC000350042213 319040149 /nfs/dbraw/zinc/04/01/49/319040149.db2.gz QXRVLMCDQXMSFW-QZTJIDSGSA-N 2 1 346.475 1.233 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269243652 443247702 /nfs/dbraw/zinc/24/77/02/443247702.db2.gz KMLUTSKVZYFUNO-UHFFFAOYSA-N 2 1 325.416 1.925 20 0 EDADMP COC1(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000382723079 319124571 /nfs/dbraw/zinc/12/45/71/319124571.db2.gz PEXIFUVHXARPIS-MRXNPFEDSA-N 2 1 331.460 1.488 20 0 EDADMP COC1(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000382723079 319124574 /nfs/dbraw/zinc/12/45/74/319124574.db2.gz PEXIFUVHXARPIS-MRXNPFEDSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000382725155 319124980 /nfs/dbraw/zinc/12/49/80/319124980.db2.gz RKRANAJCPWKXGN-FUHWJXTLSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000397299120 319134116 /nfs/dbraw/zinc/13/41/16/319134116.db2.gz CSRBFEVMHMQUAM-IJEWVQPXSA-N 2 1 339.505 1.742 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000397299120 319134118 /nfs/dbraw/zinc/13/41/18/319134118.db2.gz CSRBFEVMHMQUAM-IJEWVQPXSA-N 2 1 339.505 1.742 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccccc1Cl ZINC000269245513 443248523 /nfs/dbraw/zinc/24/85/23/443248523.db2.gz ULUSZPHNDFPFQE-BBRMVZONSA-N 2 1 339.867 1.828 20 0 EDADMP CC(C)C[C@]1(CO)CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411616589 319188825 /nfs/dbraw/zinc/18/88/25/319188825.db2.gz FMABNRABOAQBJK-IBGZPJMESA-N 2 1 339.524 1.848 20 0 EDADMP COc1ccccc1C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414670683 319338832 /nfs/dbraw/zinc/33/88/32/319338832.db2.gz DREUVRJBPGLWTP-HNNXBMFYSA-N 2 1 331.460 1.857 20 0 EDADMP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414682682 319341486 /nfs/dbraw/zinc/34/14/86/319341486.db2.gz AELBKQAYDVQDTI-MGPQQGTHSA-N 2 1 325.478 1.715 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)Nc1ncccc1C[NH3+])[NH+]1CCOCC1 ZINC000415999967 319388737 /nfs/dbraw/zinc/38/87/37/319388737.db2.gz WJKNQHJXFUPZAV-MRXNPFEDSA-N 2 1 349.479 1.799 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000416305300 319411699 /nfs/dbraw/zinc/41/16/99/319411699.db2.gz AVGWBYMBSJOVOM-QGZVFWFLSA-N 2 1 331.460 1.395 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000420370444 319611873 /nfs/dbraw/zinc/61/18/73/319611873.db2.gz VSXKRMQLNVMZNT-SJLPKXTDSA-N 2 1 344.503 1.607 20 0 EDADMP CC(C)[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H](C)[NH3+] ZINC000422926459 319737725 /nfs/dbraw/zinc/73/77/25/319737725.db2.gz DATNWBQOQPBOKP-JKSUJKDBSA-N 2 1 325.497 1.757 20 0 EDADMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000423405939 319771904 /nfs/dbraw/zinc/77/19/04/319771904.db2.gz JWLIDPCVBJMORT-LEWSCRJBSA-N 2 1 341.249 1.833 20 0 EDADMP CN1CCN(C(=O)CC[N@@H+](CCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000283005689 443493969 /nfs/dbraw/zinc/49/39/69/443493969.db2.gz FYJKGUYXKOVSDL-LJQANCHMSA-N 2 1 345.487 1.522 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+](CCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000283005689 443493972 /nfs/dbraw/zinc/49/39/72/443493972.db2.gz FYJKGUYXKOVSDL-LJQANCHMSA-N 2 1 345.487 1.522 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000283005689 443493975 /nfs/dbraw/zinc/49/39/75/443493975.db2.gz FYJKGUYXKOVSDL-LJQANCHMSA-N 2 1 345.487 1.522 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000272297732 443584273 /nfs/dbraw/zinc/58/42/73/443584273.db2.gz GKIGHTCLEFOBHU-YOEHRIQHSA-N 2 1 346.475 1.064 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272376600 443606519 /nfs/dbraw/zinc/60/65/19/443606519.db2.gz BJGXVFPGQYAJLM-MJGOQNOKSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+](CC1(C[N@H+](C)[C@H]2CC[C@H](O)CC2)COC1)[C@H]1CC[C@H](O)CC1 ZINC000439268539 320043620 /nfs/dbraw/zinc/04/36/20/320043620.db2.gz FSDUFICCKLKYRW-OPMHRUBESA-N 2 1 340.508 1.474 20 0 EDADMP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H]1CCC[N@H+]1C ZINC000286201764 443667090 /nfs/dbraw/zinc/66/70/90/443667090.db2.gz RRDVZHDTYRJYTM-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP OCCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000449389737 320187126 /nfs/dbraw/zinc/18/71/26/320187126.db2.gz TXJIVCLUEFOVBO-HNNXBMFYSA-N 2 1 337.430 1.840 20 0 EDADMP OCCC[N@H+]1CCC[C@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000449389737 320187128 /nfs/dbraw/zinc/18/71/28/320187128.db2.gz TXJIVCLUEFOVBO-HNNXBMFYSA-N 2 1 337.430 1.840 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CCCC3(F)F)cn2)CC1 ZINC000449500117 320192769 /nfs/dbraw/zinc/19/27/69/320192769.db2.gz UOPFYIFYJFMNSB-CQSZACIVSA-N 2 1 325.407 1.753 20 0 EDADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449729357 320203057 /nfs/dbraw/zinc/20/30/57/320203057.db2.gz ARTGRRLAGYTGAE-RCCFBDPRSA-N 2 1 329.444 1.098 20 0 EDADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449729357 320203059 /nfs/dbraw/zinc/20/30/59/320203059.db2.gz ARTGRRLAGYTGAE-RCCFBDPRSA-N 2 1 329.444 1.098 20 0 EDADMP CSC1(CNC(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+](C)CC1 ZINC000454975806 320298159 /nfs/dbraw/zinc/29/81/59/320298159.db2.gz QJUURWZKGQHZHV-UHFFFAOYSA-N 2 1 342.553 1.987 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000457505604 320328663 /nfs/dbraw/zinc/32/86/63/320328663.db2.gz HJFHRMHJBFECIJ-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000457505604 320328664 /nfs/dbraw/zinc/32/86/64/320328664.db2.gz HJFHRMHJBFECIJ-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000457505604 320328665 /nfs/dbraw/zinc/32/86/65/320328665.db2.gz HJFHRMHJBFECIJ-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000457748389 320334827 /nfs/dbraw/zinc/33/48/27/320334827.db2.gz PYIARPCXMZVLLF-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCCC2)C[C@H]1C ZINC000458841817 320342893 /nfs/dbraw/zinc/34/28/93/320342893.db2.gz GDEKJMNMHAVLCL-IAGOWNOFSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCOCC[NH+](C)C ZINC000471647476 320353126 /nfs/dbraw/zinc/35/31/26/320353126.db2.gz HDIQPNNPVONDQR-XHSDSOJGSA-N 2 1 328.501 1.230 20 0 EDADMP Cc1cc2ncn(C[C@@H](O)C[N@H+](CCOCCO)C(C)C)c2cc1C ZINC000283747974 443704799 /nfs/dbraw/zinc/70/47/99/443704799.db2.gz JZZHKLBBLPUBGX-KRWDZBQOSA-N 2 1 349.475 1.733 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000276553943 443744393 /nfs/dbraw/zinc/74/43/93/443744393.db2.gz FNNRBFSUVNHOGA-UHFFFAOYSA-N 2 1 344.503 1.132 20 0 EDADMP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000288798819 443986304 /nfs/dbraw/zinc/98/63/04/443986304.db2.gz IMCCCEYSJVHRDQ-MRXNPFEDSA-N 2 1 349.479 1.306 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000293226758 443956366 /nfs/dbraw/zinc/95/63/66/443956366.db2.gz XXLVXYIWBLSYNE-CQSZACIVSA-N 2 1 343.431 1.429 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000293226758 443956369 /nfs/dbraw/zinc/95/63/69/443956369.db2.gz XXLVXYIWBLSYNE-CQSZACIVSA-N 2 1 343.431 1.429 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293502590 444035694 /nfs/dbraw/zinc/03/56/94/444035694.db2.gz UVEJOGAWUZEIDF-HNNXBMFYSA-N 2 1 343.431 1.524 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293502590 444035699 /nfs/dbraw/zinc/03/56/99/444035699.db2.gz UVEJOGAWUZEIDF-HNNXBMFYSA-N 2 1 343.431 1.524 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000557358771 321002783 /nfs/dbraw/zinc/00/27/83/321002783.db2.gz UQNNUVIXTLSORJ-ZDUSSCGKSA-N 2 1 329.404 1.119 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000559834390 321016498 /nfs/dbraw/zinc/01/64/98/321016498.db2.gz HZWIVGIJGPRDGZ-MRXNPFEDSA-N 2 1 340.512 1.167 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC1CC[NH+](CCOC(C)C)CC1)CC2 ZINC000561268862 321038099 /nfs/dbraw/zinc/03/80/99/321038099.db2.gz AIVFZNOKJZMTBO-MRXNPFEDSA-N 2 1 348.491 1.760 20 0 EDADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NCc1ccc2c(c1)OCO2 ZINC000561278752 321038411 /nfs/dbraw/zinc/03/84/11/321038411.db2.gz SHZSLVGALNYHOC-HZPDHXFCSA-N 2 1 345.443 1.496 20 0 EDADMP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NCc1ccc2c(c1)OCO2 ZINC000561278752 321038412 /nfs/dbraw/zinc/03/84/12/321038412.db2.gz SHZSLVGALNYHOC-HZPDHXFCSA-N 2 1 345.443 1.496 20 0 EDADMP Cc1nccn1C[C@H](C)CNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000562661075 321067020 /nfs/dbraw/zinc/06/70/20/321067020.db2.gz CABDYKFWUZFFEM-CABCVRRESA-N 2 1 333.480 1.953 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000562661075 321067021 /nfs/dbraw/zinc/06/70/21/321067021.db2.gz CABDYKFWUZFFEM-CABCVRRESA-N 2 1 333.480 1.953 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000562817808 321078900 /nfs/dbraw/zinc/07/89/00/321078900.db2.gz KSROMQPWZWKTLX-KSSFIOAISA-N 2 1 339.443 1.957 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)Cn1c(C)nc2cc3c(cc21)OCCO3 ZINC000563423416 321110572 /nfs/dbraw/zinc/11/05/72/321110572.db2.gz KSMIUHOJEGTADZ-CYBMUJFWSA-N 2 1 335.404 1.055 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)Cn1c(C)[nH+]c2cc3c(cc21)OCCO3 ZINC000563423416 321110576 /nfs/dbraw/zinc/11/05/76/321110576.db2.gz KSMIUHOJEGTADZ-CYBMUJFWSA-N 2 1 335.404 1.055 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000563932147 321115953 /nfs/dbraw/zinc/11/59/53/321115953.db2.gz LSFXVVRGQOMGLH-KRWDZBQOSA-N 2 1 325.497 1.583 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000565038563 321165452 /nfs/dbraw/zinc/16/54/52/321165452.db2.gz HBSOEEDBNMHJDC-SFHVURJKSA-N 2 1 336.524 1.251 20 0 EDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000567041215 321239828 /nfs/dbraw/zinc/23/98/28/321239828.db2.gz ANXWNSLBEBWDIS-NVXWUHKLSA-N 2 1 338.540 1.591 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000567846104 321262479 /nfs/dbraw/zinc/26/24/79/321262479.db2.gz WKEMWMUPQZLNBP-GOEBONIOSA-N 2 1 333.480 1.266 20 0 EDADMP CN(C)c1nc(N2CCN(C(=O)C[C@H]3CCCC[C@@H]3[NH3+])CC2)cc[nH+]1 ZINC000571557152 321392546 /nfs/dbraw/zinc/39/25/46/321392546.db2.gz FHPCFWLTAKOHPL-CABCVRRESA-N 2 1 346.479 1.099 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000289826341 444208761 /nfs/dbraw/zinc/20/87/61/444208761.db2.gz BBZADYZRNDOKFU-BBWFWOEESA-N 2 1 345.491 1.096 20 0 EDADMP COCCc1nc(CN2CC[C@@H](CNc3cccc(C)n3)C2)no1 ZINC000289916748 444219090 /nfs/dbraw/zinc/21/90/90/444219090.db2.gz OHXYGRFUQQFGMM-AWEZNQCLSA-N 2 1 331.420 1.896 20 0 EDADMP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000295444164 444184222 /nfs/dbraw/zinc/18/42/22/444184222.db2.gz LQMATSHFXUNYKV-RBUKOAKNSA-N 2 1 345.487 1.614 20 0 EDADMP Cc1cc(N2CCC([N@@H+](C)C[C@H](O)COC(C)C)CC2)nc(C)[nH+]1 ZINC000305168233 444262378 /nfs/dbraw/zinc/26/23/78/444262378.db2.gz SZIKTFMBQHXWRN-KRWDZBQOSA-N 2 1 336.480 1.780 20 0 EDADMP Cc1cc(N2CCC([N@H+](C)C[C@H](O)COC(C)C)CC2)nc(C)[nH+]1 ZINC000305168233 444262380 /nfs/dbraw/zinc/26/23/80/444262380.db2.gz SZIKTFMBQHXWRN-KRWDZBQOSA-N 2 1 336.480 1.780 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290311917 444265805 /nfs/dbraw/zinc/26/58/05/444265805.db2.gz FZILAYLXUGWSCA-GUDVDZBRSA-N 2 1 343.471 1.345 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290311917 444265807 /nfs/dbraw/zinc/26/58/07/444265807.db2.gz FZILAYLXUGWSCA-GUDVDZBRSA-N 2 1 343.471 1.345 20 0 EDADMP CCO[C@@H](C)c1noc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000303870235 444237713 /nfs/dbraw/zinc/23/77/13/444237713.db2.gz QBHJBLYTMKEUNS-KBPBESRZSA-N 2 1 340.468 1.692 20 0 EDADMP CCO[C@@H](C)c1noc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000303870235 444237716 /nfs/dbraw/zinc/23/77/16/444237716.db2.gz QBHJBLYTMKEUNS-KBPBESRZSA-N 2 1 340.468 1.692 20 0 EDADMP COCC[N@H+](C)CCNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000290669527 444308804 /nfs/dbraw/zinc/30/88/04/444308804.db2.gz HXYCJDFGWYQNJW-UHFFFAOYSA-N 2 1 349.479 1.368 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000290669527 444308807 /nfs/dbraw/zinc/30/88/07/444308807.db2.gz HXYCJDFGWYQNJW-UHFFFAOYSA-N 2 1 349.479 1.368 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)ccn1 ZINC000297562020 444301315 /nfs/dbraw/zinc/30/13/15/444301315.db2.gz RYUHGCAFUOBDQP-GOSISDBHSA-N 2 1 347.507 1.948 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000578489271 321781761 /nfs/dbraw/zinc/78/17/61/321781761.db2.gz PFVAKOOCODYUPS-BHYGNILZSA-N 2 1 338.496 1.399 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[N@@H+]1C ZINC000340255530 444373903 /nfs/dbraw/zinc/37/39/03/444373903.db2.gz HCPNCSDACMERSX-SUYBPPKGSA-N 2 1 337.489 1.784 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[N@H+]1C ZINC000340255530 444373906 /nfs/dbraw/zinc/37/39/06/444373906.db2.gz HCPNCSDACMERSX-SUYBPPKGSA-N 2 1 337.489 1.784 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000340479035 444395431 /nfs/dbraw/zinc/39/54/31/444395431.db2.gz ORMNOAUCNUGMSR-OAHLLOKOSA-N 2 1 343.431 1.572 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000340479035 444395435 /nfs/dbraw/zinc/39/54/35/444395435.db2.gz ORMNOAUCNUGMSR-OAHLLOKOSA-N 2 1 343.431 1.572 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCN3CCNC3=O)C2)s1 ZINC000580776954 322094231 /nfs/dbraw/zinc/09/42/31/322094231.db2.gz FECVKLQETCFWLP-HNNXBMFYSA-N 2 1 336.505 1.835 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCN3CCNC3=O)C2)s1 ZINC000580776954 322094232 /nfs/dbraw/zinc/09/42/32/322094232.db2.gz FECVKLQETCFWLP-HNNXBMFYSA-N 2 1 336.505 1.835 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCN3CCNC3=O)C2)s1 ZINC000580776954 322094234 /nfs/dbraw/zinc/09/42/34/322094234.db2.gz FECVKLQETCFWLP-HNNXBMFYSA-N 2 1 336.505 1.835 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCN3CCNC3=O)C2)s1 ZINC000580776954 322094235 /nfs/dbraw/zinc/09/42/35/322094235.db2.gz FECVKLQETCFWLP-HNNXBMFYSA-N 2 1 336.505 1.835 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000581078858 322133306 /nfs/dbraw/zinc/13/33/06/322133306.db2.gz MQMUPIXQTJGMEX-CQSZACIVSA-N 2 1 326.391 1.536 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000581241364 322153109 /nfs/dbraw/zinc/15/31/09/322153109.db2.gz JQYRYLFFNNIWME-LSDHHAIUSA-N 2 1 338.496 1.100 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000581597164 322196619 /nfs/dbraw/zinc/19/66/19/322196619.db2.gz KPSQMZRPCOHEGD-SJORKVTESA-N 2 1 332.448 1.020 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnn3ncccc23)CC1 ZINC000581921946 322232595 /nfs/dbraw/zinc/23/25/95/322232595.db2.gz UGHJJZXZMQAITF-UHFFFAOYSA-N 2 1 337.387 1.128 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COC1CCOCC1 ZINC000343703985 444531182 /nfs/dbraw/zinc/53/11/82/444531182.db2.gz DFXVTZDKROQXNV-INIZCTEOSA-N 2 1 341.496 1.057 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[N@H+]1C ZINC000342460536 444700554 /nfs/dbraw/zinc/70/05/54/444700554.db2.gz HGZZTRXBRGUAJS-ZBFHGGJFSA-N 2 1 349.479 1.304 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000341191823 444720261 /nfs/dbraw/zinc/72/02/61/444720261.db2.gz GBMCJIMKABSKOU-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000341191823 444720262 /nfs/dbraw/zinc/72/02/62/444720262.db2.gz GBMCJIMKABSKOU-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000333936850 444723575 /nfs/dbraw/zinc/72/35/75/444723575.db2.gz KXRCHTFLOQCURP-MLHJIOFPSA-N 2 1 328.460 1.750 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000333939173 444724207 /nfs/dbraw/zinc/72/42/07/444724207.db2.gz NAAPWMHGWWOMDC-VQHPVUNQSA-N 2 1 336.480 1.151 20 0 EDADMP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCOC)C1)c1ccccc1 ZINC000341273546 444756765 /nfs/dbraw/zinc/75/67/65/444756765.db2.gz BURVFJFDOHTXPW-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1CCO ZINC000338606996 444772425 /nfs/dbraw/zinc/77/24/25/444772425.db2.gz LVCFEKCQJVMKKC-INIZCTEOSA-N 2 1 331.460 1.421 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1CCO ZINC000338606996 444772430 /nfs/dbraw/zinc/77/24/30/444772430.db2.gz LVCFEKCQJVMKKC-INIZCTEOSA-N 2 1 331.460 1.421 20 0 EDADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)C(=O)Nc1ncccn1 ZINC000344154355 444810869 /nfs/dbraw/zinc/81/08/69/444810869.db2.gz JEMYNFHIFSMRBB-INIZCTEOSA-N 2 1 348.495 1.153 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)C(=O)Nc1ncccn1 ZINC000344154355 444810872 /nfs/dbraw/zinc/81/08/72/444810872.db2.gz JEMYNFHIFSMRBB-INIZCTEOSA-N 2 1 348.495 1.153 20 0 EDADMP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)[C@H]1C ZINC000336868421 444812090 /nfs/dbraw/zinc/81/20/90/444812090.db2.gz SEHAOPSKKMYEDY-VYDXJSESSA-N 2 1 325.497 1.757 20 0 EDADMP CC(C)[N@H+]1CCc2nc(CNCC3(O)CC[NH+](C)CC3)sc2C1 ZINC000344214184 444843723 /nfs/dbraw/zinc/84/37/23/444843723.db2.gz REABEHYNVMTZCI-UHFFFAOYSA-N 2 1 338.521 1.456 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000342772856 444860055 /nfs/dbraw/zinc/86/00/55/444860055.db2.gz BDEVCZKHBHXBJE-NJAFHUGGSA-N 2 1 335.492 1.715 20 0 EDADMP CC(C)[NH+]1CCC(N2CC[NH+](C[C@](C)(O)C(F)(F)F)CC2)CC1 ZINC000337180488 444975709 /nfs/dbraw/zinc/97/57/09/444975709.db2.gz MACOMNRSIWEPRB-HNNXBMFYSA-N 2 1 337.430 1.790 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](CC)C[C@H]3C)cc2)CC1 ZINC000341779481 444998232 /nfs/dbraw/zinc/99/82/32/444998232.db2.gz ZWAPOSJKMPLKLJ-QGZVFWFLSA-N 2 1 344.503 1.995 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343031388 445018265 /nfs/dbraw/zinc/01/82/65/445018265.db2.gz AWWNDBXZEYMCSU-HZPDHXFCSA-N 2 1 340.512 1.214 20 0 EDADMP NC(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000344554144 445055932 /nfs/dbraw/zinc/05/59/32/445055932.db2.gz GQMIEPHCBFGWLH-AEFFLSMTSA-N 2 1 346.475 1.002 20 0 EDADMP NC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000344554144 445055938 /nfs/dbraw/zinc/05/59/38/445055938.db2.gz GQMIEPHCBFGWLH-AEFFLSMTSA-N 2 1 346.475 1.002 20 0 EDADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000343096505 445062453 /nfs/dbraw/zinc/06/24/53/445062453.db2.gz QUEFHFMNMXYAGS-RBUKOAKNSA-N 2 1 342.487 1.157 20 0 EDADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343096505 445062457 /nfs/dbraw/zinc/06/24/57/445062457.db2.gz QUEFHFMNMXYAGS-RBUKOAKNSA-N 2 1 342.487 1.157 20 0 EDADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343096505 445062462 /nfs/dbraw/zinc/06/24/62/445062462.db2.gz QUEFHFMNMXYAGS-RBUKOAKNSA-N 2 1 342.487 1.157 20 0 EDADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173136 445207398 /nfs/dbraw/zinc/20/73/98/445207398.db2.gz CIZYYLGAPUVVKA-NBMJBFSESA-N 2 1 349.519 1.819 20 0 EDADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173136 445207400 /nfs/dbraw/zinc/20/74/00/445207400.db2.gz CIZYYLGAPUVVKA-NBMJBFSESA-N 2 1 349.519 1.819 20 0 EDADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173136 445207401 /nfs/dbraw/zinc/20/74/01/445207401.db2.gz CIZYYLGAPUVVKA-NBMJBFSESA-N 2 1 349.519 1.819 20 0 EDADMP C[C@@H]1CN(CC[N@@H+](C)C[C@@H]2CCCN(C)[C@@H]2c2ccnn2C)CCO1 ZINC000346938815 445228198 /nfs/dbraw/zinc/22/81/98/445228198.db2.gz UGTWYKIHDQMHCG-AOIWGVFYSA-N 2 1 349.523 1.456 20 0 EDADMP Cn1nccc1[C@@H]1[C@H](C[N@@H+](C)C[C@H](O)C(F)(F)F)CCCN1C ZINC000346932174 445228236 /nfs/dbraw/zinc/22/82/36/445228236.db2.gz PXDOEOBYRMTDLG-UBHSHLNASA-N 2 1 334.386 1.658 20 0 EDADMP CN(C[C@H](O)C(F)(F)F)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346932174 445228238 /nfs/dbraw/zinc/22/82/38/445228238.db2.gz PXDOEOBYRMTDLG-UBHSHLNASA-N 2 1 334.386 1.658 20 0 EDADMP CN(C[C@H](O)C(F)(F)F)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346932174 445228240 /nfs/dbraw/zinc/22/82/40/445228240.db2.gz PXDOEOBYRMTDLG-UBHSHLNASA-N 2 1 334.386 1.658 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000343479160 445230644 /nfs/dbraw/zinc/23/06/44/445230644.db2.gz TZGCASBJQBJAOY-HUUCEWRRSA-N 2 1 346.475 1.546 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000347690096 445245010 /nfs/dbraw/zinc/24/50/10/445245010.db2.gz RXOPPCIRSCTJHU-SJORKVTESA-N 2 1 325.497 1.726 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343567966 445245632 /nfs/dbraw/zinc/24/56/32/445245632.db2.gz OMDJAWCGEAKMMF-SJORKVTESA-N 2 1 336.524 1.393 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343567966 445245633 /nfs/dbraw/zinc/24/56/33/445245633.db2.gz OMDJAWCGEAKMMF-SJORKVTESA-N 2 1 336.524 1.393 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343567966 445245635 /nfs/dbraw/zinc/24/56/35/445245635.db2.gz OMDJAWCGEAKMMF-SJORKVTESA-N 2 1 336.524 1.393 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCC[N@H+]1C ZINC000343625856 445269397 /nfs/dbraw/zinc/26/93/97/445269397.db2.gz NPCJHCLHTBFJRB-YJBOKZPZSA-N 2 1 345.491 1.828 20 0 EDADMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343640215 445276382 /nfs/dbraw/zinc/27/63/82/445276382.db2.gz LWPQPPSELSTQLA-RTBURBONSA-N 2 1 342.487 1.157 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348453567 445296547 /nfs/dbraw/zinc/29/65/47/445296547.db2.gz QZYCFZJDQQFNKN-GJZGRUSLSA-N 2 1 338.521 1.890 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(NC)nc1 ZINC000351806603 445327872 /nfs/dbraw/zinc/32/78/72/445327872.db2.gz FYLDCUHGAGVHBK-INIZCTEOSA-N 2 1 333.480 1.611 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1O ZINC000351960795 445401592 /nfs/dbraw/zinc/40/15/92/445401592.db2.gz WIPKKWGSXFGIGD-QAPCUYQASA-N 2 1 331.460 1.211 20 0 EDADMP CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000354836089 445416922 /nfs/dbraw/zinc/41/69/22/445416922.db2.gz AVXFHGJMXBNWEW-OALUTQOASA-N 2 1 344.503 1.574 20 0 EDADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000362471268 445399262 /nfs/dbraw/zinc/39/92/62/445399262.db2.gz RDWAABMAIBFIAX-BBWFWOEESA-N 2 1 338.496 1.223 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000362471268 445399264 /nfs/dbraw/zinc/39/92/64/445399264.db2.gz RDWAABMAIBFIAX-BBWFWOEESA-N 2 1 338.496 1.223 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000362471268 445399271 /nfs/dbraw/zinc/39/92/71/445399271.db2.gz RDWAABMAIBFIAX-BBWFWOEESA-N 2 1 338.496 1.223 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000362471268 445399278 /nfs/dbraw/zinc/39/92/78/445399278.db2.gz RDWAABMAIBFIAX-BBWFWOEESA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000348908588 445437343 /nfs/dbraw/zinc/43/73/43/445437343.db2.gz HCTJBFOFJCFJTF-KRWDZBQOSA-N 2 1 345.487 1.519 20 0 EDADMP C[C@@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000348908588 445437350 /nfs/dbraw/zinc/43/73/50/445437350.db2.gz HCTJBFOFJCFJTF-KRWDZBQOSA-N 2 1 345.487 1.519 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000362565264 445442838 /nfs/dbraw/zinc/44/28/38/445442838.db2.gz AEPDYSKTCRZINY-HUUCEWRRSA-N 2 1 349.479 1.060 20 0 EDADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000360013548 445528300 /nfs/dbraw/zinc/52/83/00/445528300.db2.gz GRFGAWPLWJQWIJ-WFASDCNBSA-N 2 1 334.445 1.920 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cn(C)cn1 ZINC000362677840 445494987 /nfs/dbraw/zinc/49/49/87/445494987.db2.gz WDJJGYVWJLIGAH-UHFFFAOYSA-N 2 1 347.507 1.688 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357235138 445497665 /nfs/dbraw/zinc/49/76/65/445497665.db2.gz VMUSZFKTCUAJCS-HOCLYGCPSA-N 2 1 349.479 1.029 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357235138 445497668 /nfs/dbraw/zinc/49/76/68/445497668.db2.gz VMUSZFKTCUAJCS-HOCLYGCPSA-N 2 1 349.479 1.029 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000357240120 445500814 /nfs/dbraw/zinc/50/08/14/445500814.db2.gz JLUHYEREABWFJZ-NEWSRXKRSA-N 2 1 345.487 1.876 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362802707 445556376 /nfs/dbraw/zinc/55/63/76/445556376.db2.gz VEMCCYRFPPTKFZ-GOEBONIOSA-N 2 1 331.464 1.554 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000356040469 445585531 /nfs/dbraw/zinc/58/55/31/445585531.db2.gz SRLLVHYXRHCUIR-VQIMIIECSA-N 2 1 348.491 1.263 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000358141662 445606836 /nfs/dbraw/zinc/60/68/36/445606836.db2.gz PXIVCHWXTRBDHV-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000358141662 445606841 /nfs/dbraw/zinc/60/68/41/445606841.db2.gz PXIVCHWXTRBDHV-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000360170462 445610180 /nfs/dbraw/zinc/61/01/80/445610180.db2.gz JFRQTYLEQILBOS-MRXNPFEDSA-N 2 1 340.512 1.071 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000356088796 445613189 /nfs/dbraw/zinc/61/31/89/445613189.db2.gz JSABABSQEUPUAQ-RDJZCZTQSA-N 2 1 340.512 1.658 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000353526686 445642842 /nfs/dbraw/zinc/64/28/42/445642842.db2.gz RWKABDJHLLVHFM-BPQIPLTHSA-N 2 1 336.524 1.012 20 0 EDADMP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353424839 445595679 /nfs/dbraw/zinc/59/56/79/445595679.db2.gz GGXFSWZBSLRDRY-YYIAUSFCSA-N 2 1 325.497 1.626 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC[NH+]1CCOC ZINC000360260559 445663361 /nfs/dbraw/zinc/66/33/61/445663361.db2.gz HPZKURPKYJEVSR-HZPDHXFCSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC[NH+]1CCOC ZINC000360260559 445663367 /nfs/dbraw/zinc/66/33/67/445663367.db2.gz HPZKURPKYJEVSR-HZPDHXFCSA-N 2 1 328.501 1.467 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000353612550 445676223 /nfs/dbraw/zinc/67/62/23/445676223.db2.gz RWTHGJGMNASTLR-UHFFFAOYSA-N 2 1 335.496 1.971 20 0 EDADMP COCCC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000363204489 445720117 /nfs/dbraw/zinc/72/01/17/445720117.db2.gz CZLOXUOBJSWQJX-GOSISDBHSA-N 2 1 333.476 1.860 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000363204489 445720119 /nfs/dbraw/zinc/72/01/19/445720119.db2.gz CZLOXUOBJSWQJX-GOSISDBHSA-N 2 1 333.476 1.860 20 0 EDADMP CCOC(=O)[C@@H](C)[N@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000353676490 445702535 /nfs/dbraw/zinc/70/25/35/445702535.db2.gz NXGLRYXEXSDUFM-OAHLLOKOSA-N 2 1 348.447 1.004 20 0 EDADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000353688282 445708155 /nfs/dbraw/zinc/70/81/55/445708155.db2.gz WDQOZUPGUKIORH-XJKSGUPXSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CCC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000349884671 445711680 /nfs/dbraw/zinc/71/16/80/445711680.db2.gz RUWVMRQYZXLYKV-ZIFCJYIRSA-N 2 1 339.524 1.407 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN2CCC[N@@H+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000349884671 445711683 /nfs/dbraw/zinc/71/16/83/445711683.db2.gz RUWVMRQYZXLYKV-ZIFCJYIRSA-N 2 1 339.524 1.407 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN2CCC[N@H+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000349884671 445711688 /nfs/dbraw/zinc/71/16/88/445711688.db2.gz RUWVMRQYZXLYKV-ZIFCJYIRSA-N 2 1 339.524 1.407 20 0 EDADMP CC(C)OCC[C@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000349883950 445711813 /nfs/dbraw/zinc/71/18/13/445711813.db2.gz PTLKZRXFCKLNMO-SWDXFRIISA-N 2 1 339.524 1.405 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000349899633 445715769 /nfs/dbraw/zinc/71/57/69/445715769.db2.gz WLZBWPSBMLUEKR-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP CCC[N@@H+](C)CC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000358601837 445670202 /nfs/dbraw/zinc/67/02/02/445670202.db2.gz RAGQFNYQHZQUAB-UHFFFAOYSA-N 2 1 334.420 1.436 20 0 EDADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363081948 445670419 /nfs/dbraw/zinc/67/04/19/445670419.db2.gz VHLGRZDORSCPMY-IRXDYDNUSA-N 2 1 335.492 1.765 20 0 EDADMP CN(C)[C@H](CNC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1)c1ccsc1 ZINC000350033877 445753552 /nfs/dbraw/zinc/75/35/52/445753552.db2.gz OBKAGVGLTBDRGB-RBSFLKMASA-N 2 1 338.477 1.075 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000350370199 445818716 /nfs/dbraw/zinc/81/87/16/445818716.db2.gz UZIXHCHGYRUOGF-BBWFWOEESA-N 2 1 341.496 1.055 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000350370199 445818721 /nfs/dbraw/zinc/81/87/21/445818721.db2.gz UZIXHCHGYRUOGF-BBWFWOEESA-N 2 1 341.496 1.055 20 0 EDADMP CCOC(=O)CC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358876745 445826929 /nfs/dbraw/zinc/82/69/29/445826929.db2.gz VAQQWJGWIVVQLI-HZPDHXFCSA-N 2 1 342.480 1.530 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000350153120 445781358 /nfs/dbraw/zinc/78/13/58/445781358.db2.gz LBAZKMGYKGURSW-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)N2CCC[C@@H]2C)C1 ZINC000350180073 445787469 /nfs/dbraw/zinc/78/74/69/445787469.db2.gz CYAKIKNUTMGLSL-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(=O)Nc2cc(C)on2)C1 ZINC000350222384 445796160 /nfs/dbraw/zinc/79/61/60/445796160.db2.gz SCZNLAIVRISGCU-HNNXBMFYSA-N 2 1 338.452 1.744 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@](C)(O)c3ccccc3)C2)CC1 ZINC000363457268 445812797 /nfs/dbraw/zinc/81/27/97/445812797.db2.gz RRKFNZKRQLVIMD-ICSRJNTNSA-N 2 1 331.504 1.854 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000353975043 445835977 /nfs/dbraw/zinc/83/59/77/445835977.db2.gz LKDNPQSXVBZSAO-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000353975043 445835980 /nfs/dbraw/zinc/83/59/80/445835980.db2.gz LKDNPQSXVBZSAO-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000358959126 445865057 /nfs/dbraw/zinc/86/50/57/445865057.db2.gz QAGUNWFRZLKLAE-OAHLLOKOSA-N 2 1 327.517 1.040 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CCCc2ccccc2)CC[NH+](C)C)C1 ZINC000354085001 445893150 /nfs/dbraw/zinc/89/31/50/445893150.db2.gz GEALVFBAZCMGNA-LJQANCHMSA-N 2 1 347.503 1.730 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(CCCc2ccccc2)CC[NH+](C)C)C1 ZINC000354085001 445893156 /nfs/dbraw/zinc/89/31/56/445893156.db2.gz GEALVFBAZCMGNA-LJQANCHMSA-N 2 1 347.503 1.730 20 0 EDADMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC1([NH+]2CCOCC2)CCCC1 ZINC000361720475 445897791 /nfs/dbraw/zinc/89/77/91/445897791.db2.gz ZWYFXTLKOORVOM-ALOPSCKCSA-N 2 1 335.492 1.668 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372911343 445917364 /nfs/dbraw/zinc/91/73/64/445917364.db2.gz WBGLOBXVESERSR-SQNIBIBYSA-N 2 1 329.444 1.098 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372911343 445917370 /nfs/dbraw/zinc/91/73/70/445917370.db2.gz WBGLOBXVESERSR-SQNIBIBYSA-N 2 1 329.444 1.098 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[NH+](C)C ZINC000369164227 445964275 /nfs/dbraw/zinc/96/42/75/445964275.db2.gz OJYAQNLYFTYDNA-ZWKOTPCHSA-N 2 1 332.492 1.996 20 0 EDADMP CN(C[C@@H]1CC2(CC2)C(=O)O1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000373010109 445973612 /nfs/dbraw/zinc/97/36/12/445973612.db2.gz BGPQXXNLXIKBIA-PXNSSMCTSA-N 2 1 344.455 1.651 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@]2(CC[NH+](C)C2)C1)Cc1ccccc1 ZINC000366087337 446004539 /nfs/dbraw/zinc/00/45/39/446004539.db2.gz JPYAQJZXLCOELJ-LJQANCHMSA-N 2 1 330.476 1.856 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)Cc1ccccc1 ZINC000366087337 446004542 /nfs/dbraw/zinc/00/45/42/446004542.db2.gz JPYAQJZXLCOELJ-LJQANCHMSA-N 2 1 330.476 1.856 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)Cc1ccccc1 ZINC000366087337 446004547 /nfs/dbraw/zinc/00/45/47/446004547.db2.gz JPYAQJZXLCOELJ-LJQANCHMSA-N 2 1 330.476 1.856 20 0 EDADMP c1coc(-c2noc(C[N@@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)n2)c1 ZINC000583135461 326008651 /nfs/dbraw/zinc/00/86/51/326008651.db2.gz XDTQTPKZWKLBTH-OLZOCXBDSA-N 2 1 330.388 1.530 20 0 EDADMP c1coc(-c2noc(C[N@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)n2)c1 ZINC000583135461 326008654 /nfs/dbraw/zinc/00/86/54/326008654.db2.gz XDTQTPKZWKLBTH-OLZOCXBDSA-N 2 1 330.388 1.530 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)c2cccc(-n3ccnc3)c2)[N@@H+](C)C1 ZINC000583456294 326076884 /nfs/dbraw/zinc/07/68/84/326076884.db2.gz RNEXADJAURGSTK-IRXDYDNUSA-N 2 1 328.416 1.663 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)[C@H](C)C1 ZINC000583635703 326109440 /nfs/dbraw/zinc/10/94/40/326109440.db2.gz RGIHDVPKICPKOH-RYRKJORJSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCN(c2cccc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)n2)CC1 ZINC000583646517 326111594 /nfs/dbraw/zinc/11/15/94/326111594.db2.gz UYRDKDHIVPBHFC-WBVHZDCISA-N 2 1 343.475 1.190 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000583801518 326141661 /nfs/dbraw/zinc/14/16/61/326141661.db2.gz OGNXLAIKIPLRAE-NEWSRXKRSA-N 2 1 344.503 1.930 20 0 EDADMP C[C@H]1CC2(C[N@H+]1CCNS(=O)(=O)c1ccccc1)CC[NH2+]CC2 ZINC000583866263 326154809 /nfs/dbraw/zinc/15/48/09/326154809.db2.gz KZQBFLDVCZQQBY-HNNXBMFYSA-N 2 1 337.489 1.429 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000583984287 326177531 /nfs/dbraw/zinc/17/75/31/326177531.db2.gz PJOTVSSQPUCGMU-HUUCEWRRSA-N 2 1 328.501 1.562 20 0 EDADMP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000584042314 326188063 /nfs/dbraw/zinc/18/80/63/326188063.db2.gz VTLUTGNJYBUUBX-QZTJIDSGSA-N 2 1 330.476 1.826 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCn4nccc43)CC2)CC1 ZINC000584122482 326204549 /nfs/dbraw/zinc/20/45/49/326204549.db2.gz SMCBEVNJGDGQBB-UHFFFAOYSA-N 2 1 345.491 1.816 20 0 EDADMP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351474802 446075812 /nfs/dbraw/zinc/07/58/12/446075812.db2.gz GZWGDGOLSIXYAO-AETAKHFUSA-N 2 1 340.471 1.884 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351476857 446077221 /nfs/dbraw/zinc/07/72/21/446077221.db2.gz LRDAEFRESCJOMK-BZSNNMDCSA-N 2 1 331.460 1.508 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351476857 446077228 /nfs/dbraw/zinc/07/72/28/446077228.db2.gz LRDAEFRESCJOMK-BZSNNMDCSA-N 2 1 331.460 1.508 20 0 EDADMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000369654413 446139773 /nfs/dbraw/zinc/13/97/73/446139773.db2.gz LIVCSTXTOOFYHB-GOEBONIOSA-N 2 1 348.495 2.000 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000369372574 446111994 /nfs/dbraw/zinc/11/19/94/446111994.db2.gz KBVUWCAHADJQTL-SOLBZPMBSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369372574 446112001 /nfs/dbraw/zinc/11/20/01/446112001.db2.gz KBVUWCAHADJQTL-SOLBZPMBSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369372574 446112005 /nfs/dbraw/zinc/11/20/05/446112005.db2.gz KBVUWCAHADJQTL-SOLBZPMBSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369372574 446112012 /nfs/dbraw/zinc/11/20/12/446112012.db2.gz KBVUWCAHADJQTL-SOLBZPMBSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369372574 446112018 /nfs/dbraw/zinc/11/20/18/446112018.db2.gz KBVUWCAHADJQTL-SOLBZPMBSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365390765 446183454 /nfs/dbraw/zinc/18/34/54/446183454.db2.gz KOXNBNTVQYLFKT-AEFFLSMTSA-N 2 1 347.507 1.781 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000369663079 446143691 /nfs/dbraw/zinc/14/36/91/446143691.db2.gz SKBQJOGPXXZQLV-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369663079 446143698 /nfs/dbraw/zinc/14/36/98/446143698.db2.gz SKBQJOGPXXZQLV-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369663079 446143704 /nfs/dbraw/zinc/14/37/04/446143704.db2.gz SKBQJOGPXXZQLV-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000366323544 446151197 /nfs/dbraw/zinc/15/11/97/446151197.db2.gz MQEUGEDNLZBLGG-CVEARBPZSA-N 2 1 336.505 1.490 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H](C)C1 ZINC000354439217 446204332 /nfs/dbraw/zinc/20/43/32/446204332.db2.gz VCXDKGSKMAPKCK-MLHJIOFPSA-N 2 1 339.524 1.970 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H](C)C1 ZINC000354439217 446204335 /nfs/dbraw/zinc/20/43/35/446204335.db2.gz VCXDKGSKMAPKCK-MLHJIOFPSA-N 2 1 339.524 1.970 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H](C)C1 ZINC000354439217 446204337 /nfs/dbraw/zinc/20/43/37/446204337.db2.gz VCXDKGSKMAPKCK-MLHJIOFPSA-N 2 1 339.524 1.970 20 0 EDADMP C[NH+](C)[C@]1(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)CCCSC1 ZINC000362117642 446223047 /nfs/dbraw/zinc/22/30/47/446223047.db2.gz KAUDPTPTWDIWPI-DOTOQJQBSA-N 2 1 343.537 1.167 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000366479262 446230988 /nfs/dbraw/zinc/23/09/88/446230988.db2.gz GJPMKIXGYNBLNV-MAUKXSAKSA-N 2 1 335.492 1.763 20 0 EDADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000366479262 446230991 /nfs/dbraw/zinc/23/09/91/446230991.db2.gz GJPMKIXGYNBLNV-MAUKXSAKSA-N 2 1 335.492 1.763 20 0 EDADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000366479262 446230993 /nfs/dbraw/zinc/23/09/93/446230993.db2.gz GJPMKIXGYNBLNV-MAUKXSAKSA-N 2 1 335.492 1.763 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](CO)C(C)C)CC1 ZINC000362175607 446247564 /nfs/dbraw/zinc/24/75/64/446247564.db2.gz FMTLNKNPYMGJAJ-IBGZPJMESA-N 2 1 347.503 1.636 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000359500080 446262148 /nfs/dbraw/zinc/26/21/48/446262148.db2.gz ADYDSIKNUMSIFY-YESZJQIVSA-N 2 1 325.497 1.410 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000359500080 446262154 /nfs/dbraw/zinc/26/21/54/446262154.db2.gz ADYDSIKNUMSIFY-YESZJQIVSA-N 2 1 325.497 1.410 20 0 EDADMP Cn1ccnc1CN1CCC[N@@H+](Cc2c[nH]c3nccnc23)CC1 ZINC000365653913 446288776 /nfs/dbraw/zinc/28/87/76/446288776.db2.gz FZVNOLBEOOYCFB-UHFFFAOYSA-N 2 1 325.420 1.351 20 0 EDADMP C[C@H]1C[N@H+](Cc2c[nH]c3nccnc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365661348 446291497 /nfs/dbraw/zinc/29/14/97/446291497.db2.gz QNYHVOCWJCQGPD-HOCLYGCPSA-N 2 1 328.464 1.367 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000359573696 446299499 /nfs/dbraw/zinc/29/94/99/446299499.db2.gz WOSUQTAJROSXFC-HNNXBMFYSA-N 2 1 342.553 1.987 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000370602607 446352784 /nfs/dbraw/zinc/35/27/84/446352784.db2.gz PMEDCYPGLHIUHN-GOSISDBHSA-N 2 1 349.475 1.352 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417500447 446355649 /nfs/dbraw/zinc/35/56/49/446355649.db2.gz INWOQVZJTKRGPO-QZTJIDSGSA-N 2 1 332.492 1.834 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000370670539 446380396 /nfs/dbraw/zinc/38/03/96/446380396.db2.gz DLYNXHLHPIJEAI-JYBIWHBTSA-N 2 1 348.487 1.905 20 0 EDADMP CC[C@H](NC(=O)NCC[C@@H](C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417898433 446380461 /nfs/dbraw/zinc/38/04/61/446380461.db2.gz RNRRSCWNOKQEOB-NJAFHUGGSA-N 2 1 348.491 1.703 20 0 EDADMP CC[C@H](NC(=O)NCC[C@@H](C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417898433 446380467 /nfs/dbraw/zinc/38/04/67/446380467.db2.gz RNRRSCWNOKQEOB-NJAFHUGGSA-N 2 1 348.491 1.703 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000417935269 446391085 /nfs/dbraw/zinc/39/10/85/446391085.db2.gz GOLPQBSTMNZKBP-ZJPYXAASSA-N 2 1 328.460 1.683 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)NCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417951434 446397331 /nfs/dbraw/zinc/39/73/31/446397331.db2.gz NEFZAKGDPQEMJE-FZMZJTMJSA-N 2 1 328.819 1.730 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccccc1 ZINC000417952143 446397476 /nfs/dbraw/zinc/39/74/76/446397476.db2.gz XULBEUUHNWUFHZ-OWSLCNJRSA-N 2 1 328.460 1.968 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000370774601 446431434 /nfs/dbraw/zinc/43/14/34/446431434.db2.gz SHGKIQBQFRIYOT-BVBHFADKSA-N 2 1 345.487 1.562 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418083063 446436018 /nfs/dbraw/zinc/43/60/18/446436018.db2.gz YZCJCAYPZIUIMN-ZBFHGGJFSA-N 2 1 336.505 1.641 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418083063 446436023 /nfs/dbraw/zinc/43/60/23/446436023.db2.gz YZCJCAYPZIUIMN-ZBFHGGJFSA-N 2 1 336.505 1.641 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NCc2ccc3c(c2)C[NH2+]C3)CCCO1 ZINC000418110739 446440922 /nfs/dbraw/zinc/44/09/22/446440922.db2.gz FVWIIURUOLIBGE-HNNXBMFYSA-N 2 1 346.475 1.590 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000370789273 446443392 /nfs/dbraw/zinc/44/33/92/446443392.db2.gz WMOUUZOKFHXTHO-IRXDYDNUSA-N 2 1 333.501 1.814 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366985532 446444160 /nfs/dbraw/zinc/44/41/60/446444160.db2.gz AJKUBXUTJWMWED-KSZLIROESA-N 2 1 329.444 1.098 20 0 EDADMP C[NH2+]CCCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418277935 446481057 /nfs/dbraw/zinc/48/10/57/446481057.db2.gz JZOHMYMSIHDRQX-ROUUACIJSA-N 2 1 330.476 1.759 20 0 EDADMP CCOC(=O)CC[N@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000420306000 446468235 /nfs/dbraw/zinc/46/82/35/446468235.db2.gz HERVXBBKNUULAT-HNNXBMFYSA-N 2 1 334.464 1.800 20 0 EDADMP CCOC(=O)CC[N@@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000420306000 446468241 /nfs/dbraw/zinc/46/82/41/446468241.db2.gz HERVXBBKNUULAT-HNNXBMFYSA-N 2 1 334.464 1.800 20 0 EDADMP CS(=O)(=O)N(CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000420306532 446470415 /nfs/dbraw/zinc/47/04/15/446470415.db2.gz LEXCHIYFOVNSFA-ULQDDVLXSA-N 2 1 337.489 1.117 20 0 EDADMP CS(=O)(=O)N(CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000420306532 446470418 /nfs/dbraw/zinc/47/04/18/446470418.db2.gz LEXCHIYFOVNSFA-ULQDDVLXSA-N 2 1 337.489 1.117 20 0 EDADMP CC[C@@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H](CC)CN1C(C)=O ZINC000420308485 446471845 /nfs/dbraw/zinc/47/18/45/446471845.db2.gz SHLQXDVOTZYFTH-ZRNYENFQSA-N 2 1 347.503 1.639 20 0 EDADMP CC[C@@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H](CC)CN1C(C)=O ZINC000420308485 446471851 /nfs/dbraw/zinc/47/18/51/446471851.db2.gz SHLQXDVOTZYFTH-ZRNYENFQSA-N 2 1 347.503 1.639 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418289880 446486094 /nfs/dbraw/zinc/48/60/94/446486094.db2.gz JWYJOWNPIQNJSK-INIZCTEOSA-N 2 1 333.480 1.592 20 0 EDADMP C[C@@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[N@H+]1CCCC[C@H]1C ZINC000423319193 446486858 /nfs/dbraw/zinc/48/68/58/446486858.db2.gz DCKRREWGDUQRSV-OWCLPIDISA-N 2 1 347.507 1.880 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420325192 446491676 /nfs/dbraw/zinc/49/16/76/446491676.db2.gz BEYXKDIHASQYHO-KDURUIRLSA-N 2 1 345.487 1.771 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C[C@H]1CC ZINC000418307247 446492819 /nfs/dbraw/zinc/49/28/19/446492819.db2.gz CSBGOCNJECLLAO-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP COC(=O)c1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420339097 446510293 /nfs/dbraw/zinc/51/02/93/446510293.db2.gz QJNWHQMHAYEWJI-INIZCTEOSA-N 2 1 345.443 1.876 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418352884 446510508 /nfs/dbraw/zinc/51/05/08/446510508.db2.gz CMYSRVOEUJXYGQ-HOCLYGCPSA-N 2 1 340.512 1.381 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000418350843 446510678 /nfs/dbraw/zinc/51/06/78/446510678.db2.gz RHHQUDZRIROTCJ-MRXNPFEDSA-N 2 1 330.476 1.902 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2NCCCC2(C)C)CC[NH2+]CC1 ZINC000423388061 446512363 /nfs/dbraw/zinc/51/23/63/446512363.db2.gz MOVBIZVYHHVFBS-CABCVRRESA-N 2 1 325.497 1.676 20 0 EDADMP CCOC(=O)C1([C@@H](C)NC[C@@H]2[NH2+]CCCC2(C)C)CC[NH2+]CC1 ZINC000423388061 446512370 /nfs/dbraw/zinc/51/23/70/446512370.db2.gz MOVBIZVYHHVFBS-CABCVRRESA-N 2 1 325.497 1.676 20 0 EDADMP CC(C)(C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]([NH3+])c1ccccc1 ZINC000423388848 446513748 /nfs/dbraw/zinc/51/37/48/446513748.db2.gz JCVMELWFLHQVCP-JKSUJKDBSA-N 2 1 346.475 1.169 20 0 EDADMP CC(C)CN(C(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)C(C)C ZINC000420384925 446561538 /nfs/dbraw/zinc/56/15/38/446561538.db2.gz FMLICJWVBOLZND-SJORKVTESA-N 2 1 337.508 1.580 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)C[NH3+] ZINC000418492176 446564050 /nfs/dbraw/zinc/56/40/50/446564050.db2.gz PECUETOKIGNVPL-WBVHZDCISA-N 2 1 333.480 1.672 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1ccccc1 ZINC000423400699 446517795 /nfs/dbraw/zinc/51/77/95/446517795.db2.gz WTKZFBOSGICWHP-ROUUACIJSA-N 2 1 333.476 1.940 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000411402446 446521608 /nfs/dbraw/zinc/52/16/08/446521608.db2.gz SLNCKEUXPWFVGP-UHFFFAOYSA-N 2 1 343.431 1.641 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000411402446 446521615 /nfs/dbraw/zinc/52/16/15/446521615.db2.gz SLNCKEUXPWFVGP-UHFFFAOYSA-N 2 1 343.431 1.641 20 0 EDADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N[C@H]1CCOc2ccccc21 ZINC000420347571 446523786 /nfs/dbraw/zinc/52/37/86/446523786.db2.gz YQLQGVIZAMSMED-UXLLHSPISA-N 2 1 329.444 1.558 20 0 EDADMP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349520 446526048 /nfs/dbraw/zinc/52/60/48/446526048.db2.gz PIXSAAHHCNJFTL-ZHALLVOQSA-N 2 1 344.503 1.274 20 0 EDADMP CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350053 446528577 /nfs/dbraw/zinc/52/85/77/446528577.db2.gz RFXUTNWEXGEWIO-INIZCTEOSA-N 2 1 346.475 1.393 20 0 EDADMP [NH3+]C1CCC(NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418401182 446530117 /nfs/dbraw/zinc/53/01/17/446530117.db2.gz NIWINDZTRZYLIJ-TVPLGVNVSA-N 2 1 346.475 1.193 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423426604 446530810 /nfs/dbraw/zinc/53/08/10/446530810.db2.gz NAFPKJPOVDWHTC-PXTPFGJHSA-N 2 1 329.488 1.457 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423426604 446530814 /nfs/dbraw/zinc/53/08/14/446530814.db2.gz NAFPKJPOVDWHTC-PXTPFGJHSA-N 3 1 329.488 1.457 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423426604 446530816 /nfs/dbraw/zinc/53/08/16/446530816.db2.gz NAFPKJPOVDWHTC-PXTPFGJHSA-N 3 1 329.488 1.457 20 0 EDADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000418404616 446532921 /nfs/dbraw/zinc/53/29/21/446532921.db2.gz CXTFIAVZOXYQJK-DIQFNYNJSA-N 2 1 332.492 1.928 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@@H](O)C[NH3+] ZINC000420354116 446532973 /nfs/dbraw/zinc/53/29/73/446532973.db2.gz ODRWFHPOKOJCFN-JTQLQIEISA-N 2 1 348.216 1.168 20 0 EDADMP CC(CC[NH+]1CCSC[C@@H]1CO)CC[N@H+]1CCSC[C@@H]1CO ZINC000411432959 446539823 /nfs/dbraw/zinc/53/98/23/446539823.db2.gz XBLNCIXVLSKVCN-HOTGVXAUSA-N 2 1 348.578 1.222 20 0 EDADMP CN1CC[NH+](CCCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433163230 446540127 /nfs/dbraw/zinc/54/01/27/446540127.db2.gz WTHSPEPPSJVAFC-SFHVURJKSA-N 2 1 332.492 1.433 20 0 EDADMP [NH3+]C1CCN(CCCC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000433164619 446540596 /nfs/dbraw/zinc/54/05/96/446540596.db2.gz SDYDBNLPFONCCQ-UHFFFAOYSA-N 2 1 336.524 1.524 20 0 EDADMP C[C@H]1CCC[C@@](CNC(=O)CCCN2CCC([NH3+])CC2)([NH+](C)C)C1 ZINC000433180943 446545364 /nfs/dbraw/zinc/54/53/64/446545364.db2.gz WPSQFTWXCQNKEO-QFBILLFUSA-N 2 1 338.540 1.816 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000418442907 446546428 /nfs/dbraw/zinc/54/64/28/446546428.db2.gz NEXYWEFTWSOMSG-ROUUACIJSA-N 2 1 332.492 1.928 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000418442907 446546434 /nfs/dbraw/zinc/54/64/34/446546434.db2.gz NEXYWEFTWSOMSG-ROUUACIJSA-N 2 1 332.492 1.928 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000420376253 446552856 /nfs/dbraw/zinc/55/28/56/446552856.db2.gz QFHPRKXABZWRPJ-WJMWBRGCSA-N 2 1 343.515 1.866 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(CCCO)C2)[C@@H](C)C1 ZINC000453252231 446553727 /nfs/dbraw/zinc/55/37/27/446553727.db2.gz BWOXOVHZCLCKLH-FHWLQOOXSA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCC[NH+](CCCO)C2)[C@@H](C)C1 ZINC000453252231 446553731 /nfs/dbraw/zinc/55/37/31/446553731.db2.gz BWOXOVHZCLCKLH-FHWLQOOXSA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2CCC[NH+](CCCO)C2)[C@@H](C)C1 ZINC000453252231 446553740 /nfs/dbraw/zinc/55/37/40/446553740.db2.gz BWOXOVHZCLCKLH-FHWLQOOXSA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[NH+]1CC[C@H](N[C@H]2CCC[N@H+](CCCO)C2)[C@@H](C)C1 ZINC000453252231 446553749 /nfs/dbraw/zinc/55/37/49/446553749.db2.gz BWOXOVHZCLCKLH-FHWLQOOXSA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[NH+]1CC[C@H](N[C@H]2CCC[N@@H+](CCCO)C2)[C@@H](C)C1 ZINC000453252231 446553756 /nfs/dbraw/zinc/55/37/56/446553756.db2.gz BWOXOVHZCLCKLH-FHWLQOOXSA-N 2 1 341.540 1.560 20 0 EDADMP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)N(C1CC1)C1CCCC1 ZINC000420392624 446568806 /nfs/dbraw/zinc/56/88/06/446568806.db2.gz WEJNZUPWESMWRE-MSOLQXFVSA-N 2 1 347.503 1.620 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420397843 446571398 /nfs/dbraw/zinc/57/13/98/446571398.db2.gz GKOUKXMGSHMOEY-IIAWOOMASA-N 2 1 332.448 1.318 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420397843 446571406 /nfs/dbraw/zinc/57/14/06/446571406.db2.gz GKOUKXMGSHMOEY-IIAWOOMASA-N 2 1 332.448 1.318 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000418621637 446618501 /nfs/dbraw/zinc/61/85/01/446618501.db2.gz SYMOGHXICUUSAF-XIRDDKMYSA-N 2 1 339.528 1.312 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000433463742 446576871 /nfs/dbraw/zinc/57/68/71/446576871.db2.gz AHQWKBFNCCTFGF-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C[C@H]1C[NH3+] ZINC000420407316 446580544 /nfs/dbraw/zinc/58/05/44/446580544.db2.gz OKOJFIIXUIZQAZ-KYJSFNMBSA-N 2 1 349.450 1.642 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C[C@H]1C[NH3+] ZINC000420407316 446580550 /nfs/dbraw/zinc/58/05/50/446580550.db2.gz OKOJFIIXUIZQAZ-KYJSFNMBSA-N 2 1 349.450 1.642 20 0 EDADMP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418529282 446581188 /nfs/dbraw/zinc/58/11/88/446581188.db2.gz SZKOMIGUQIYCJT-QUCCMNQESA-N 2 1 342.487 1.904 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)C[C@@H]1CC ZINC000418531161 446582878 /nfs/dbraw/zinc/58/28/78/446582878.db2.gz WHJVJJFCKNGLJM-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(F)(F)C[NH3+] ZINC000418541691 446586949 /nfs/dbraw/zinc/58/69/49/446586949.db2.gz QLVRYMAAAIASEB-OAHLLOKOSA-N 2 1 340.418 1.744 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(F)(F)C[NH3+] ZINC000418541691 446586950 /nfs/dbraw/zinc/58/69/50/446586950.db2.gz QLVRYMAAAIASEB-OAHLLOKOSA-N 2 1 340.418 1.744 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000418558116 446593379 /nfs/dbraw/zinc/59/33/79/446593379.db2.gz SHDUFGGVMIMGTL-WMZOPIPTSA-N 2 1 328.460 1.916 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1CC ZINC000418566177 446596223 /nfs/dbraw/zinc/59/62/23/446596223.db2.gz AECYZGRBBFVIRS-ARFHVFGLSA-N 2 1 326.485 1.399 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC[N@H+]1CCOC ZINC000418594388 446606346 /nfs/dbraw/zinc/60/63/46/446606346.db2.gz NFRNLVJDHGYQTB-ARFHVFGLSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@H]3C)cc2F)CC1 ZINC000423646989 446623334 /nfs/dbraw/zinc/62/33/34/446623334.db2.gz MOVTWFQCHYEUKO-CZUORRHYSA-N 2 1 334.439 1.529 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(CC(=O)N2CCNC2=O)CC1 ZINC000371102503 446629316 /nfs/dbraw/zinc/62/93/16/446629316.db2.gz ZWAIETPLSMMFIS-QGZVFWFLSA-N 2 1 344.459 1.525 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000418652017 446634810 /nfs/dbraw/zinc/63/48/10/446634810.db2.gz MIJYNNRZUFFZQR-CRAIPNDOSA-N 2 1 348.491 1.611 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000418652017 446634815 /nfs/dbraw/zinc/63/48/15/446634815.db2.gz MIJYNNRZUFFZQR-CRAIPNDOSA-N 2 1 348.491 1.611 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000418654346 446635299 /nfs/dbraw/zinc/63/52/99/446635299.db2.gz PQDGOZYRSAFQDG-HDMKZQKVSA-N 2 1 348.491 1.345 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)cn1 ZINC000418778649 446697782 /nfs/dbraw/zinc/69/77/82/446697782.db2.gz AOMJOCRDMCCKIQ-RDJZCZTQSA-N 2 1 348.495 1.248 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)cn1 ZINC000418778649 446697791 /nfs/dbraw/zinc/69/77/91/446697791.db2.gz AOMJOCRDMCCKIQ-RDJZCZTQSA-N 2 1 348.495 1.248 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000423801687 446698608 /nfs/dbraw/zinc/69/86/08/446698608.db2.gz NNNIAQUYFLTISO-YYAJDYIMSA-N 2 1 337.508 1.756 20 0 EDADMP CCOC(=O)CCCC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371261263 446721567 /nfs/dbraw/zinc/72/15/67/446721567.db2.gz WJMRUAXTZGBVCN-QGZVFWFLSA-N 2 1 325.497 1.820 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000423834444 446722609 /nfs/dbraw/zinc/72/26/09/446722609.db2.gz ULJTYEPTWWSVRG-MORSLUCNSA-N 2 1 331.460 1.945 20 0 EDADMP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000423839422 446726674 /nfs/dbraw/zinc/72/66/74/446726674.db2.gz YHHAXKGEFFVYDJ-HOCLYGCPSA-N 2 1 325.840 1.437 20 0 EDADMP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000423839422 446726680 /nfs/dbraw/zinc/72/66/80/446726680.db2.gz YHHAXKGEFFVYDJ-HOCLYGCPSA-N 2 1 325.840 1.437 20 0 EDADMP COCC[NH2+]CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423847927 446730194 /nfs/dbraw/zinc/73/01/94/446730194.db2.gz MUXIMGZOYOTZRW-UHFFFAOYSA-N 2 1 345.487 1.737 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000423862327 446735065 /nfs/dbraw/zinc/73/50/65/446735065.db2.gz SEJKLEONXPWASI-ARFHVFGLSA-N 2 1 339.480 1.108 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000423862327 446735071 /nfs/dbraw/zinc/73/50/71/446735071.db2.gz SEJKLEONXPWASI-ARFHVFGLSA-N 2 1 339.480 1.108 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)C2C[NH2+]C2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000368168639 446682310 /nfs/dbraw/zinc/68/23/10/446682310.db2.gz SKHKEFMEKFSIHE-MRXNPFEDSA-N 2 1 330.432 1.011 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000423887641 446745666 /nfs/dbraw/zinc/74/56/66/446745666.db2.gz YHVLUERDKSEGFM-JLSDUUJJSA-N 2 1 349.450 1.437 20 0 EDADMP COCC[NH2+]CC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423894613 446748295 /nfs/dbraw/zinc/74/82/95/446748295.db2.gz DZAFLQVEJARILV-WMZOPIPTSA-N 2 1 333.476 1.639 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2C[NH2+]CCO2)C[N@H+]1Cc1ccccc1 ZINC000423900434 446752462 /nfs/dbraw/zinc/75/24/62/446752462.db2.gz KAQDKPAPKIPPQX-NXHRZFHOSA-N 2 1 331.460 1.392 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](c4ccco4)C3)cn2)CC1 ZINC000371331896 446779791 /nfs/dbraw/zinc/77/97/91/446779791.db2.gz LNUSEADKAJGBAR-INIZCTEOSA-N 2 1 327.432 1.811 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](c4ccco4)C3)cn2)CC1 ZINC000371331896 446779795 /nfs/dbraw/zinc/77/97/95/446779795.db2.gz LNUSEADKAJGBAR-INIZCTEOSA-N 2 1 327.432 1.811 20 0 EDADMP c1cc(NC2CC[NH+](C3CCCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000376897908 446784181 /nfs/dbraw/zinc/78/41/81/446784181.db2.gz UGTILVXZYCSRGM-UHFFFAOYSA-N 2 1 331.464 2.132 20 0 EDADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000376897166 446784555 /nfs/dbraw/zinc/78/45/55/446784555.db2.gz JSFFOETWYDITAA-INIZCTEOSA-N 2 1 346.475 1.131 20 0 EDADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000376897166 446784561 /nfs/dbraw/zinc/78/45/61/446784561.db2.gz JSFFOETWYDITAA-INIZCTEOSA-N 2 1 346.475 1.131 20 0 EDADMP CC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCC[NH2+]1 ZINC000423934987 446787235 /nfs/dbraw/zinc/78/72/35/446787235.db2.gz XRGUPUGALUFNGP-LESCRADOSA-N 2 1 333.480 1.451 20 0 EDADMP CC(C)[NH+]1CCN(C2CC[NH+](CCS(=O)(=O)C(C)C)CC2)CC1 ZINC000371341778 446790852 /nfs/dbraw/zinc/79/08/52/446790852.db2.gz RDJONZWCFVFRSL-UHFFFAOYSA-N 2 1 345.553 1.300 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424016144 446824110 /nfs/dbraw/zinc/82/41/10/446824110.db2.gz BRWKIGFXRYVHNS-MRXNPFEDSA-N 2 1 332.492 1.484 20 0 EDADMP CC(C)[C@H](O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000368392193 446833617 /nfs/dbraw/zinc/83/36/17/446833617.db2.gz HHQPXGDNAXKDNZ-SOUVJXGZSA-N 2 1 339.459 1.408 20 0 EDADMP CC(C)[C@H](O)C[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000368392193 446833621 /nfs/dbraw/zinc/83/36/21/446833621.db2.gz HHQPXGDNAXKDNZ-SOUVJXGZSA-N 2 1 339.459 1.408 20 0 EDADMP C[N@@H+](CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)Cc1ccccc1 ZINC000368420459 446852947 /nfs/dbraw/zinc/85/29/47/446852947.db2.gz UWMYFTAHIZLWND-SQGPQFPESA-N 2 1 345.487 1.767 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000377008083 446857189 /nfs/dbraw/zinc/85/71/89/446857189.db2.gz STOVYZGEGKYHKL-MSOLQXFVSA-N 2 1 338.540 1.750 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000419003613 446859334 /nfs/dbraw/zinc/85/93/34/446859334.db2.gz QNDNDXMXHOSVAA-IAGOWNOFSA-N 2 1 346.475 1.011 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000424443367 446871161 /nfs/dbraw/zinc/87/11/61/446871161.db2.gz XPCUHOWTSRVJAY-HNNXBMFYSA-N 2 1 346.475 1.773 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424451257 446872726 /nfs/dbraw/zinc/87/27/26/446872726.db2.gz BAHDDMFDLNIAHV-CQSZACIVSA-N 2 1 334.464 1.629 20 0 EDADMP O=C(NC1CC[NH2+]CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424483494 446880140 /nfs/dbraw/zinc/88/01/40/446880140.db2.gz XZLNDXWHPFYPBR-FUHWJXTLSA-N 2 1 328.460 1.654 20 0 EDADMP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CCC1 ZINC000368467254 446880718 /nfs/dbraw/zinc/88/07/18/446880718.db2.gz VXRVBQXRLRIEJT-BRWVUGGUSA-N 2 1 337.508 1.772 20 0 EDADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000420910093 446884425 /nfs/dbraw/zinc/88/44/25/446884425.db2.gz DOOLJSFRXVNOHH-FQEVSTJZSA-N 2 1 345.487 1.425 20 0 EDADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000420910093 446884429 /nfs/dbraw/zinc/88/44/29/446884429.db2.gz DOOLJSFRXVNOHH-FQEVSTJZSA-N 2 1 345.487 1.425 20 0 EDADMP CCC1(CC)[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C[C@@H]1OC ZINC000371513162 446905628 /nfs/dbraw/zinc/90/56/28/446905628.db2.gz CFNJDEKUAFGIPB-KSZLIROESA-N 2 1 339.524 1.576 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCOCC(C)C)CC2)CC1 ZINC000368523689 446919926 /nfs/dbraw/zinc/91/99/26/446919926.db2.gz VUMORHQIMGCEGP-UHFFFAOYSA-N 2 1 339.524 1.925 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[NH+]2CCC1CC2 ZINC000377106686 446924281 /nfs/dbraw/zinc/92/42/81/446924281.db2.gz QVZPERDZIWAIHN-UHFFFAOYSA-N 2 1 334.489 1.596 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)ccn1 ZINC000371545008 446924628 /nfs/dbraw/zinc/92/46/28/446924628.db2.gz GYKHNLPIAQMIPS-GDBMZVCRSA-N 2 1 332.448 1.188 20 0 EDADMP C[C@H](C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCSCC1 ZINC000442661122 446928402 /nfs/dbraw/zinc/92/84/02/446928402.db2.gz TXKNLNSPVSHPNF-BZUAXINKSA-N 2 1 343.537 1.429 20 0 EDADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cccc(CN2CCOCC2)c1 ZINC000420960389 446930487 /nfs/dbraw/zinc/93/04/87/446930487.db2.gz GTXVYZAKYFQHPJ-ROUUACIJSA-N 2 1 347.503 1.406 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000368598675 446971325 /nfs/dbraw/zinc/97/13/25/446971325.db2.gz RAHKPROEQHIWNC-KWXDATOUSA-N 2 1 349.519 1.772 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442767206 446959152 /nfs/dbraw/zinc/95/91/52/446959152.db2.gz YCYRFHHKZVUIOH-IXDOHACOSA-N 2 1 330.476 1.393 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C[N@H+]1C1CC1 ZINC000371885227 446971908 /nfs/dbraw/zinc/97/19/08/446971908.db2.gz ATICNIUNANCJTK-MISMHTLLSA-N 2 1 332.492 1.737 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C[NH+]1C1CC1 ZINC000371885227 446971913 /nfs/dbraw/zinc/97/19/13/446971913.db2.gz ATICNIUNANCJTK-MISMHTLLSA-N 2 1 332.492 1.737 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)C[NH+]1C1CC1 ZINC000371885227 446971916 /nfs/dbraw/zinc/97/19/16/446971916.db2.gz ATICNIUNANCJTK-MISMHTLLSA-N 2 1 332.492 1.737 20 0 EDADMP Cc1cc(C)nc(C2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000375700589 446986019 /nfs/dbraw/zinc/98/60/19/446986019.db2.gz HBIGEVKIEBAPPX-UHFFFAOYSA-N 2 1 345.491 1.437 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000424996276 446987022 /nfs/dbraw/zinc/98/70/22/446987022.db2.gz CZYPCEKGOGLEQE-MRXNPFEDSA-N 2 1 325.497 1.820 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443059078 447001898 /nfs/dbraw/zinc/00/18/98/447001898.db2.gz LXVNYGDMADEDRX-SJORKVTESA-N 2 1 333.476 1.939 20 0 EDADMP C[C@@H](CNc1nc2ccccc2nc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000443456561 447053559 /nfs/dbraw/zinc/05/35/59/447053559.db2.gz WEMSSZJJGFGLKI-AWEZNQCLSA-N 2 1 328.464 1.744 20 0 EDADMP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000368711330 447057956 /nfs/dbraw/zinc/05/79/56/447057956.db2.gz DDDBCYGDMZBQDN-CABCVRRESA-N 2 1 349.504 1.071 20 0 EDADMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000443792130 447062994 /nfs/dbraw/zinc/06/29/94/447062994.db2.gz SORVNOSCDRNHPP-BFYDXBDKSA-N 2 1 333.480 1.210 20 0 EDADMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000443792130 447063000 /nfs/dbraw/zinc/06/30/00/447063000.db2.gz SORVNOSCDRNHPP-BFYDXBDKSA-N 2 1 333.480 1.210 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000425218594 447069084 /nfs/dbraw/zinc/06/90/84/447069084.db2.gz YOXBNNWERSTKOG-DOTOQJQBSA-N 2 1 337.489 1.463 20 0 EDADMP CCCNC(=O)CN1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000375860976 447105399 /nfs/dbraw/zinc/10/53/99/447105399.db2.gz KYERSNPAHAWKOQ-KZNAEPCWSA-N 2 1 336.524 1.439 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)ccc1C[NH+](C)C ZINC000421298019 447110783 /nfs/dbraw/zinc/11/07/83/447110783.db2.gz FPWOHNFLUJIBHD-KRWDZBQOSA-N 2 1 346.475 1.548 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000368738658 447077004 /nfs/dbraw/zinc/07/70/04/447077004.db2.gz BADURAAPOIYCLC-KSZLIROESA-N 2 1 336.524 1.536 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000372556309 447138321 /nfs/dbraw/zinc/13/83/21/447138321.db2.gz JEJHHESIZRJNBZ-SFHVURJKSA-N 2 1 347.503 1.985 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000372556309 447138328 /nfs/dbraw/zinc/13/83/28/447138328.db2.gz JEJHHESIZRJNBZ-SFHVURJKSA-N 2 1 347.503 1.985 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+](CC(C)(C)O)CC1)c1ccccc1 ZINC000372556309 447138334 /nfs/dbraw/zinc/13/83/34/447138334.db2.gz JEJHHESIZRJNBZ-SFHVURJKSA-N 2 1 347.503 1.985 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)c1ccccc1 ZINC000372556309 447138340 /nfs/dbraw/zinc/13/83/40/447138340.db2.gz JEJHHESIZRJNBZ-SFHVURJKSA-N 2 1 347.503 1.985 20 0 EDADMP CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000421387685 447147286 /nfs/dbraw/zinc/14/72/86/447147286.db2.gz PGGDIXRSZNBFLO-KRWDZBQOSA-N 2 1 344.503 1.785 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000377559610 447205484 /nfs/dbraw/zinc/20/54/84/447205484.db2.gz CAWXTDCWTWOHIO-KBAYOESNSA-N 2 1 330.476 1.798 20 0 EDADMP O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000377575663 447215912 /nfs/dbraw/zinc/21/59/12/447215912.db2.gz RHRNDLWYZPGCDQ-INIZCTEOSA-N 2 1 338.496 1.415 20 0 EDADMP Cc1nc2ccccc2n1CC(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000368953046 447220143 /nfs/dbraw/zinc/22/01/43/447220143.db2.gz ZNWPJUYKQFYLNN-CQSZACIVSA-N 2 1 330.432 1.260 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCC[N@H+]1C ZINC000419544430 447255353 /nfs/dbraw/zinc/25/53/53/447255353.db2.gz HRIBTCTXVCACIF-ZBFHGGJFSA-N 2 1 338.496 1.014 20 0 EDADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 ZINC000372732604 447255493 /nfs/dbraw/zinc/25/54/93/447255493.db2.gz QHEQREFOLFYLIG-INIZCTEOSA-N 2 1 342.443 1.460 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455862484 447244004 /nfs/dbraw/zinc/24/40/04/447244004.db2.gz RULPQVIIQZAEEY-KSSFIOAISA-N 2 1 346.475 1.766 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455862484 447244012 /nfs/dbraw/zinc/24/40/12/447244012.db2.gz RULPQVIIQZAEEY-KSSFIOAISA-N 2 1 346.475 1.766 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC[NH+]3CCC[C@H]3C2)CCCO1 ZINC000376098623 447268922 /nfs/dbraw/zinc/26/89/22/447268922.db2.gz QKSSRWUUPPWPAZ-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCCO1 ZINC000376098623 447268927 /nfs/dbraw/zinc/26/89/27/447268927.db2.gz QKSSRWUUPPWPAZ-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCCO1 ZINC000376098623 447268934 /nfs/dbraw/zinc/26/89/34/447268934.db2.gz QKSSRWUUPPWPAZ-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458703622 447456876 /nfs/dbraw/zinc/45/68/76/447456876.db2.gz IDQGEKOAQBKXFC-IRXDYDNUSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000458703622 447456879 /nfs/dbraw/zinc/45/68/79/447456879.db2.gz IDQGEKOAQBKXFC-IRXDYDNUSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000458703622 447456884 /nfs/dbraw/zinc/45/68/84/447456884.db2.gz IDQGEKOAQBKXFC-IRXDYDNUSA-N 2 1 338.496 1.149 20 0 EDADMP CN(C(=O)COC1(C)C[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388586519 447480103 /nfs/dbraw/zinc/48/01/03/447480103.db2.gz HAWLMZQZZJWPLK-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458820134 447482816 /nfs/dbraw/zinc/48/28/16/447482816.db2.gz WNLKDKIDWHXXDV-CVEARBPZSA-N 2 1 328.501 1.253 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458820134 447482819 /nfs/dbraw/zinc/48/28/19/447482819.db2.gz WNLKDKIDWHXXDV-CVEARBPZSA-N 2 1 328.501 1.253 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458820134 447482824 /nfs/dbraw/zinc/48/28/24/447482824.db2.gz WNLKDKIDWHXXDV-CVEARBPZSA-N 2 1 328.501 1.253 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000389904126 447488704 /nfs/dbraw/zinc/48/87/04/447488704.db2.gz FYRJPYIIOPAUMX-ZFWWWQNUSA-N 2 1 344.484 1.895 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(C[NH3+])CCOCC1 ZINC000389931447 447489120 /nfs/dbraw/zinc/48/91/20/447489120.db2.gz LFBIIYRXYVYUBU-WBVHZDCISA-N 2 1 331.460 1.379 20 0 EDADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000495381613 447498791 /nfs/dbraw/zinc/49/87/91/447498791.db2.gz BNKIXEGKISYXRV-VKJFTORMSA-N 2 1 341.496 1.821 20 0 EDADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000495381613 447498796 /nfs/dbraw/zinc/49/87/96/447498796.db2.gz BNKIXEGKISYXRV-VKJFTORMSA-N 2 1 341.496 1.821 20 0 EDADMP O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390847581 447502837 /nfs/dbraw/zinc/50/28/37/447502837.db2.gz BYWFXUOHJVZWBV-ZWKOTPCHSA-N 2 1 331.460 1.536 20 0 EDADMP C[N@@H+](C[C@H](O)CNC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390867196 447504746 /nfs/dbraw/zinc/50/47/46/447504746.db2.gz OMZFEGZGZINTKN-WOJBJXKFSA-N 2 1 347.503 1.322 20 0 EDADMP C[NH+](C[C@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390867196 447504751 /nfs/dbraw/zinc/50/47/51/447504751.db2.gz OMZFEGZGZINTKN-WOJBJXKFSA-N 2 1 347.503 1.322 20 0 EDADMP C[NH+](C[C@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390867196 447504757 /nfs/dbraw/zinc/50/47/57/447504757.db2.gz OMZFEGZGZINTKN-WOJBJXKFSA-N 2 1 347.503 1.322 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1C[NH2+]C1 ZINC000390985248 447508414 /nfs/dbraw/zinc/50/84/14/447508414.db2.gz XNUMFTPEJIZBKF-CRAIPNDOSA-N 2 1 331.460 1.249 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000392329750 447522688 /nfs/dbraw/zinc/52/26/88/447522688.db2.gz AJMRFBSEEFLVPY-GOEBONIOSA-N 2 1 332.448 1.170 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1CCO ZINC000427212523 447562686 /nfs/dbraw/zinc/56/26/86/447562686.db2.gz MDSDXUQUYKNRFO-QGZVFWFLSA-N 2 1 345.487 1.811 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1CCO ZINC000427212523 447562692 /nfs/dbraw/zinc/56/26/92/447562692.db2.gz MDSDXUQUYKNRFO-QGZVFWFLSA-N 2 1 345.487 1.811 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000457538399 447591193 /nfs/dbraw/zinc/59/11/93/447591193.db2.gz ZFQGMSUJAIHXAL-INIZCTEOSA-N 2 1 326.485 1.008 20 0 EDADMP CCOC(=O)c1c[nH+]c2cc3c(cc2c1N1CC[C@@H]([NH3+])C1)OCO3 ZINC000420148870 447638757 /nfs/dbraw/zinc/63/87/57/447638757.db2.gz UHFLXUARAMMWSJ-SNVBAGLBSA-N 2 1 329.356 1.678 20 0 EDADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C[C@@H]4COCCO4)CC3)C2)cc1 ZINC000450979413 447640726 /nfs/dbraw/zinc/64/07/26/447640726.db2.gz ANJMZTFPZCXFRL-WOJBJXKFSA-N 2 1 345.487 1.294 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C[C@@H]4COCCO4)CC3)C2)cc1 ZINC000450979413 447640730 /nfs/dbraw/zinc/64/07/30/447640730.db2.gz ANJMZTFPZCXFRL-WOJBJXKFSA-N 2 1 345.487 1.294 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000457755118 447625622 /nfs/dbraw/zinc/62/56/22/447625622.db2.gz XJELSZQQQNBPOO-INIZCTEOSA-N 2 1 326.485 1.130 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)[NH+](C)C ZINC000416827870 447692406 /nfs/dbraw/zinc/69/24/06/447692406.db2.gz DFDWLTRBJDSAOR-CHWSQXEVSA-N 2 1 344.406 1.580 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416838992 447694861 /nfs/dbraw/zinc/69/48/61/447694861.db2.gz JRISERLKFPXCBZ-RCCFBDPRSA-N 2 1 328.460 1.654 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459397334 447652155 /nfs/dbraw/zinc/65/21/55/447652155.db2.gz HIHMAHKZRDWLED-UHFFFAOYSA-N 2 1 338.473 1.685 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000416913421 447706810 /nfs/dbraw/zinc/70/68/10/447706810.db2.gz DRQQOLLQOGTXMO-LVQVYYBASA-N 2 1 340.512 1.786 20 0 EDADMP COc1cc2[nH+]c(N3CCC[C@@H]([C@H](C)[NH3+])C3)nc(N)c2cc1OC ZINC000420182775 447659462 /nfs/dbraw/zinc/65/94/62/447659462.db2.gz GPQCGKSQCWIQRI-WDEREUQCSA-N 2 1 331.420 1.793 20 0 EDADMP C[NH2+]C[C@@H]1CCN(c2nc(N[C@@H]3CCCO[C@@H]3C(C)C)cc[nH+]2)C1 ZINC000420189122 447661261 /nfs/dbraw/zinc/66/12/61/447661261.db2.gz NQEXPNIZVYYTQP-ZMSDIMECSA-N 2 1 333.480 2.138 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000422594923 447662549 /nfs/dbraw/zinc/66/25/49/447662549.db2.gz SXPQFEBOAAMJQA-KRWDZBQOSA-N 2 1 328.460 1.798 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)[C@H]1Sc1ccccc1 ZINC000459470837 447678362 /nfs/dbraw/zinc/67/83/62/447678362.db2.gz AQZWOEXSWVCLQZ-MLHJIOFPSA-N 2 1 336.501 1.981 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[C@H]1Sc1ccccc1 ZINC000459470837 447678370 /nfs/dbraw/zinc/67/83/70/447678370.db2.gz AQZWOEXSWVCLQZ-MLHJIOFPSA-N 2 1 336.501 1.981 20 0 EDADMP CC(C)C[C@H](CNC(=O)NC1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC000416942725 447719027 /nfs/dbraw/zinc/71/90/27/447719027.db2.gz SFACDMUOIZIPBS-UYSNPLJNSA-N 2 1 326.485 1.302 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH+]c1 ZINC000417058389 447732131 /nfs/dbraw/zinc/73/21/31/447732131.db2.gz FONPXLNUNFCDHK-HRCADAONSA-N 2 1 331.464 1.879 20 0 EDADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000422754136 447739543 /nfs/dbraw/zinc/73/95/43/447739543.db2.gz ACHJRJIOLSPPIZ-DFQSSKMNSA-N 2 1 346.519 1.146 20 0 EDADMP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430554966 447777411 /nfs/dbraw/zinc/77/74/11/447777411.db2.gz HIPSIMCQSXGCGM-OAHLLOKOSA-N 2 1 349.475 1.702 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)CCCOc2ccccc2)C1 ZINC000430559179 447778665 /nfs/dbraw/zinc/77/86/65/447778665.db2.gz ZUTXEJJXKYLXGX-SJORKVTESA-N 2 1 333.476 1.973 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)CCCOc2ccccc2)C1 ZINC000430559179 447778670 /nfs/dbraw/zinc/77/86/70/447778670.db2.gz ZUTXEJJXKYLXGX-SJORKVTESA-N 2 1 333.476 1.973 20 0 EDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000430564458 447779507 /nfs/dbraw/zinc/77/95/07/447779507.db2.gz BFFVJUISYAMISQ-INIZCTEOSA-N 2 1 340.855 1.731 20 0 EDADMP C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430564137 447779733 /nfs/dbraw/zinc/77/97/33/447779733.db2.gz YOGPGBZPMOFNCZ-ZDUSSCGKSA-N 2 1 325.478 1.583 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@]2(CCOC2)C1)c1ccccc1 ZINC000451908024 447780098 /nfs/dbraw/zinc/78/00/98/447780098.db2.gz ISXVZIBSYQEJDK-AZUAARDMSA-N 2 1 345.487 1.908 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000431313052 447797628 /nfs/dbraw/zinc/79/76/28/447797628.db2.gz LCDAGDYIAQNVGI-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000431392237 447801212 /nfs/dbraw/zinc/80/12/12/447801212.db2.gz YOJJTYVVXCMOLK-JHJVBQTASA-N 2 1 335.414 1.963 20 0 EDADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000431392237 447801214 /nfs/dbraw/zinc/80/12/14/447801214.db2.gz YOJJTYVVXCMOLK-JHJVBQTASA-N 2 1 335.414 1.963 20 0 EDADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000431392237 447801216 /nfs/dbraw/zinc/80/12/16/447801216.db2.gz YOJJTYVVXCMOLK-JHJVBQTASA-N 2 1 335.414 1.963 20 0 EDADMP COC[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000452039849 447807835 /nfs/dbraw/zinc/80/78/35/447807835.db2.gz PJEDUJGQRDEIPN-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP FC(F)Oc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)ccn1 ZINC000423112389 447807903 /nfs/dbraw/zinc/80/79/03/447807903.db2.gz XJRTZGUZHDLGCR-BFHYXJOUSA-N 2 1 327.375 1.930 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487674880 447835933 /nfs/dbraw/zinc/83/59/33/447835933.db2.gz KWXURIJPRHSSIT-BHYGNILZSA-N 2 1 340.512 1.394 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000522999119 447867797 /nfs/dbraw/zinc/86/77/97/447867797.db2.gz VJMFBOZZQORLQQ-ZBFHGGJFSA-N 2 1 336.480 1.023 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc3nncn3c2)CC1 ZINC000523591796 447893275 /nfs/dbraw/zinc/89/32/75/447893275.db2.gz ZFHDWDHYJCOSLG-UHFFFAOYSA-N 2 1 337.387 1.128 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000576014438 447951920 /nfs/dbraw/zinc/95/19/20/447951920.db2.gz OYMSHMPHFBMREB-QAPCUYQASA-N 2 1 346.475 1.316 20 0 EDADMP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000569936674 447922309 /nfs/dbraw/zinc/92/23/09/447922309.db2.gz CFHFGKVPRXYKNP-UHFFFAOYSA-N 2 1 345.487 1.791 20 0 EDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000570026532 447934642 /nfs/dbraw/zinc/93/46/42/447934642.db2.gz CHFOLBDQJBTUQE-BZUAXINKSA-N 2 1 333.480 1.816 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000525002128 447964037 /nfs/dbraw/zinc/96/40/37/447964037.db2.gz BNFDMEAVPGCSAD-QZTJIDSGSA-N 2 1 325.497 1.284 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000525002128 447964040 /nfs/dbraw/zinc/96/40/40/447964040.db2.gz BNFDMEAVPGCSAD-QZTJIDSGSA-N 2 1 325.497 1.284 20 0 EDADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[NH+]1CC(C)C1 ZINC000553222791 447978539 /nfs/dbraw/zinc/97/85/39/447978539.db2.gz IYRGFRURKAAXBE-YJBOKZPZSA-N 2 1 331.460 1.210 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3CCO)CC2)CC1 ZINC000576120337 447978763 /nfs/dbraw/zinc/97/87/63/447978763.db2.gz CHOPZSCQZKGGRH-GOSISDBHSA-N 2 1 337.508 1.556 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000525273948 447987090 /nfs/dbraw/zinc/98/70/90/447987090.db2.gz PDWXMNXTECOPMF-KRWDZBQOSA-N 2 1 347.507 1.968 20 0 EDADMP C[C@@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000570331189 447988111 /nfs/dbraw/zinc/98/81/11/447988111.db2.gz YQXQPJABZHHMAQ-ZBFHGGJFSA-N 2 1 333.480 1.136 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000496889795 448006339 /nfs/dbraw/zinc/00/63/39/448006339.db2.gz KBCPEYBFOLYQRK-GUYCJALGSA-N 2 1 327.469 1.336 20 0 EDADMP CN(C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000525692910 448012271 /nfs/dbraw/zinc/01/22/71/448012271.db2.gz KUJAUBRBBAOPIS-LJQANCHMSA-N 2 1 331.460 1.176 20 0 EDADMP O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000576465659 448061601 /nfs/dbraw/zinc/06/16/01/448061601.db2.gz HXVKNQHQURHQEI-ZWKOTPCHSA-N 2 1 330.476 1.942 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000576403733 448045914 /nfs/dbraw/zinc/04/59/14/448045914.db2.gz XUSHWEHAZDRYSU-DLBZAZTESA-N 3 1 336.524 1.297 20 0 EDADMP CC[NH+](CC)CCCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531285058 448052542 /nfs/dbraw/zinc/05/25/42/448052542.db2.gz LHNYPOFQNBSUEA-IBGZPJMESA-N 2 1 333.476 1.472 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000531482131 448091284 /nfs/dbraw/zinc/09/12/84/448091284.db2.gz LBAOEBVAIJAKTQ-BBWFWOEESA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000531482131 448091291 /nfs/dbraw/zinc/09/12/91/448091291.db2.gz LBAOEBVAIJAKTQ-BBWFWOEESA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000531482131 448091296 /nfs/dbraw/zinc/09/12/96/448091296.db2.gz LBAOEBVAIJAKTQ-BBWFWOEESA-N 2 1 340.512 1.515 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)Nc3cccnc3)C2)CC1 ZINC000514902531 448221177 /nfs/dbraw/zinc/22/11/77/448221177.db2.gz ADJSBYJKOQIEII-KRWDZBQOSA-N 2 1 331.464 1.122 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000591130253 448269834 /nfs/dbraw/zinc/26/98/34/448269834.db2.gz XUINYEMDOLBHHS-QGZVFWFLSA-N 2 1 346.475 1.791 20 0 EDADMP CC[NH2+]CCCNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000577351935 448271004 /nfs/dbraw/zinc/27/10/04/448271004.db2.gz PNKRSQRUXZZOBQ-UHFFFAOYSA-N 2 1 334.464 1.682 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+]1CCCC1 ZINC000591095046 448258943 /nfs/dbraw/zinc/25/89/43/448258943.db2.gz ULLKMCOTDFCZLI-WBVHZDCISA-N 2 1 331.460 1.900 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000577306263 448263045 /nfs/dbraw/zinc/26/30/45/448263045.db2.gz WCOYKUPPOSKANR-GOSISDBHSA-N 2 1 338.540 1.103 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](CNC2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000577306263 448263051 /nfs/dbraw/zinc/26/30/51/448263051.db2.gz WCOYKUPPOSKANR-GOSISDBHSA-N 2 1 338.540 1.103 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000577306263 448263053 /nfs/dbraw/zinc/26/30/53/448263053.db2.gz WCOYKUPPOSKANR-GOSISDBHSA-N 2 1 338.540 1.103 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000515485789 448320098 /nfs/dbraw/zinc/32/00/98/448320098.db2.gz ADTYVIGOCXMOLY-CRAIPNDOSA-N 2 1 330.476 1.761 20 0 EDADMP CC(C)c1ncc2c(n1)CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000527623013 448325502 /nfs/dbraw/zinc/32/55/02/448325502.db2.gz JCNRPBRHCQVRHT-UHFFFAOYSA-N 2 1 331.464 1.122 20 0 EDADMP CC(C)c1ncc2c(n1)CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000527623013 448325507 /nfs/dbraw/zinc/32/55/07/448325507.db2.gz JCNRPBRHCQVRHT-UHFFFAOYSA-N 2 1 331.464 1.122 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)C2=O)cn1 ZINC000515654895 448339103 /nfs/dbraw/zinc/33/91/03/448339103.db2.gz BVRFBCODZQRVOV-VYDXJSESSA-N 2 1 331.464 1.237 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000582797590 448344317 /nfs/dbraw/zinc/34/43/17/448344317.db2.gz VHRKXHBNQPMRNQ-MSOLQXFVSA-N 2 1 330.476 1.682 20 0 EDADMP COc1cc2[nH+]ccc(NCC[N@@H+]3CCO[C@@H](C)C3)c2cc1OC ZINC000572342748 448349840 /nfs/dbraw/zinc/34/98/40/448349840.db2.gz VBRABMBKXNZSPC-ZDUSSCGKSA-N 2 1 331.416 1.807 20 0 EDADMP COc1cc2[nH+]ccc(NCC[N@H+]3CCO[C@@H](C)C3)c2cc1OC ZINC000572342748 448349848 /nfs/dbraw/zinc/34/98/48/448349848.db2.gz VBRABMBKXNZSPC-ZDUSSCGKSA-N 2 1 331.416 1.807 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC(F)(F)CN)C1 ZINC000515870038 448361484 /nfs/dbraw/zinc/36/14/84/448361484.db2.gz JSGGKSJRNKKWQB-HNNXBMFYSA-N 2 1 340.418 1.539 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC(F)(F)C[NH3+])C1 ZINC000515870038 448361496 /nfs/dbraw/zinc/36/14/96/448361496.db2.gz JSGGKSJRNKKWQB-HNNXBMFYSA-N 2 1 340.418 1.539 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCN1CCOC[C@@H]1C ZINC000591574032 448393411 /nfs/dbraw/zinc/39/34/11/448393411.db2.gz UWRZDWHFYOCVBS-YVSFHVDLSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)[NH+]1CCOCC1 ZINC000577865298 448406725 /nfs/dbraw/zinc/40/67/25/448406725.db2.gz SUMQPRPIKAPHKD-ROUUACIJSA-N 2 1 331.460 1.346 20 0 EDADMP C[NH+](C)[C@@H]1CCc2cc(NC[C@H](O)CN3CC[NH+](C)CC3)ccc21 ZINC000582901200 448373576 /nfs/dbraw/zinc/37/35/76/448373576.db2.gz QGEBCNFRTFMUCK-PKOBYXMFSA-N 2 1 332.492 1.256 20 0 EDADMP COc1cccc(C[C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)c1 ZINC000566246385 448429283 /nfs/dbraw/zinc/42/92/83/448429283.db2.gz MWQRUVCRXCCYGI-KRWDZBQOSA-N 2 1 331.460 1.524 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N(C)Cc2c[nH]cn2)cc1 ZINC000528179135 448452911 /nfs/dbraw/zinc/45/29/11/448452911.db2.gz SKELNOZDPBFKMY-MRXNPFEDSA-N 2 1 343.431 1.834 20 0 EDADMP COc1ccc(CN2CC[C@@H]2CNC(=O)N(C)Cc2cnc[nH]2)cc1 ZINC000528179135 448452917 /nfs/dbraw/zinc/45/29/17/448452917.db2.gz SKELNOZDPBFKMY-MRXNPFEDSA-N 2 1 343.431 1.834 20 0 EDADMP CCOCC[C@@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000516645385 448455637 /nfs/dbraw/zinc/45/56/37/448455637.db2.gz YSDXUYZUBRSJCM-QFBILLFUSA-N 2 1 336.476 1.784 20 0 EDADMP CCOCC[C@@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000516645385 448455641 /nfs/dbraw/zinc/45/56/41/448455641.db2.gz YSDXUYZUBRSJCM-QFBILLFUSA-N 2 1 336.476 1.784 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)CC[NH2+]C2CC2)C1 ZINC000566470739 448485344 /nfs/dbraw/zinc/48/53/44/448485344.db2.gz PJIUISMRXOQGKO-OAHLLOKOSA-N 2 1 344.459 1.465 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000578210865 448487374 /nfs/dbraw/zinc/48/73/74/448487374.db2.gz GNFBETHXOBIHPL-FUHWJXTLSA-N 2 1 338.496 1.149 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000578210865 448487378 /nfs/dbraw/zinc/48/73/78/448487378.db2.gz GNFBETHXOBIHPL-FUHWJXTLSA-N 2 1 338.496 1.149 20 0 EDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000578350855 448524954 /nfs/dbraw/zinc/52/49/54/448524954.db2.gz OVNNRAIFVDMPDS-ZOBUZTSGSA-N 2 1 337.489 1.379 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000578350855 448524955 /nfs/dbraw/zinc/52/49/55/448524955.db2.gz OVNNRAIFVDMPDS-ZOBUZTSGSA-N 2 1 337.489 1.379 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000578422875 448539808 /nfs/dbraw/zinc/53/98/08/448539808.db2.gz HHAMVRMTBMACSM-YOEHRIQHSA-N 2 1 327.428 1.747 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000578422875 448539813 /nfs/dbraw/zinc/53/98/13/448539813.db2.gz HHAMVRMTBMACSM-YOEHRIQHSA-N 2 1 327.428 1.747 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000573342939 448605456 /nfs/dbraw/zinc/60/54/56/448605456.db2.gz TYXJQRAOHROSBM-UHFFFAOYSA-N 2 1 332.448 1.864 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000573342939 448605458 /nfs/dbraw/zinc/60/54/58/448605458.db2.gz TYXJQRAOHROSBM-UHFFFAOYSA-N 2 1 332.448 1.864 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000573428488 448622684 /nfs/dbraw/zinc/62/26/84/448622684.db2.gz MWKUYCJMWVYCDE-CGTJXYLNSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@@H](C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000578585308 448582852 /nfs/dbraw/zinc/58/28/52/448582852.db2.gz NVRIDRKLFAOMJU-ZNMIVQPWSA-N 2 1 333.480 2.350 20 0 EDADMP c1ncn(-c2ccc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)cc2)n1 ZINC000578605807 448588371 /nfs/dbraw/zinc/58/83/71/448588371.db2.gz GANFVQMGDRYKCP-UHFFFAOYSA-N 2 1 340.475 1.573 20 0 EDADMP COC1CC[NH+](C2(CNC[C@@H](O)C[N@@H+](C)C3CC3)CCCC2)CC1 ZINC000573317341 448594929 /nfs/dbraw/zinc/59/49/29/448594929.db2.gz FPNZBTSTOFIUAQ-QGZVFWFLSA-N 2 1 339.524 1.455 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)C1=O ZINC000578953177 448674965 /nfs/dbraw/zinc/67/49/65/448674965.db2.gz BREAPNKCUPBMPV-GDBMZVCRSA-N 2 1 349.862 1.818 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)C1=O ZINC000578953177 448674967 /nfs/dbraw/zinc/67/49/67/448674967.db2.gz BREAPNKCUPBMPV-GDBMZVCRSA-N 2 1 349.862 1.818 20 0 EDADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H](C)C1 ZINC000567290141 448658787 /nfs/dbraw/zinc/65/87/87/448658787.db2.gz XDXXDAAUMQTHBV-YQQAZPJKSA-N 2 1 333.480 1.247 20 0 EDADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000584789737 448633358 /nfs/dbraw/zinc/63/33/58/448633358.db2.gz AEYGDNDIJCSYON-UHFFFAOYSA-N 2 1 349.866 1.857 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000567187804 448633964 /nfs/dbraw/zinc/63/39/64/448633964.db2.gz RODKGOQGRCESLR-GOSISDBHSA-N 2 1 344.503 1.262 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cscn1 ZINC000578984587 448684623 /nfs/dbraw/zinc/68/46/23/448684623.db2.gz KUMTZZRNMPXZQT-ZDUSSCGKSA-N 2 1 346.522 1.180 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000567787544 448761768 /nfs/dbraw/zinc/76/17/68/448761768.db2.gz PRMAKXXLZZTKSS-RVKKMQEKSA-N 2 1 331.460 1.489 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000567681945 448737151 /nfs/dbraw/zinc/73/71/51/448737151.db2.gz BOOOZLYDBCVWBD-ZWKOTPCHSA-N 2 1 333.476 1.122 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000567681945 448737158 /nfs/dbraw/zinc/73/71/58/448737158.db2.gz BOOOZLYDBCVWBD-ZWKOTPCHSA-N 2 1 333.476 1.122 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](OC)C(C)C)CC2)CC1 ZINC000573932180 448751390 /nfs/dbraw/zinc/75/13/90/448751390.db2.gz FFRRNTVEXXQKIK-SFHVURJKSA-N 2 1 339.524 1.970 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@H](C)S(C)(=O)=O)CC2)nc(C)[nH+]1 ZINC000573953986 448756869 /nfs/dbraw/zinc/75/68/69/448756869.db2.gz JEMZMVUHAZVLJL-LBPRGKRZSA-N 2 1 326.466 1.085 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529296970 448811788 /nfs/dbraw/zinc/81/17/88/448811788.db2.gz HAXVPCYKEASXFU-DOTOQJQBSA-N 2 1 346.475 1.629 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000567823408 448769464 /nfs/dbraw/zinc/76/94/64/448769464.db2.gz XKDUQDFUGQHEPW-KRWDZBQOSA-N 2 1 341.459 1.985 20 0 EDADMP C[C@H](CCNC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000574195369 448814169 /nfs/dbraw/zinc/81/41/69/448814169.db2.gz UZJXUWCBJBWPRX-ZJPYXAASSA-N 2 1 327.513 1.311 20 0 EDADMP C[C@H](CCNC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000574195369 448814172 /nfs/dbraw/zinc/81/41/72/448814172.db2.gz UZJXUWCBJBWPRX-ZJPYXAASSA-N 2 1 327.513 1.311 20 0 EDADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000545300790 448786853 /nfs/dbraw/zinc/78/68/53/448786853.db2.gz ZUUDRQJSMXNUIG-HUUCEWRRSA-N 2 1 329.444 1.993 20 0 EDADMP C[C@H](c1ccc(NC[C@@H](O)C[N@H+](C)C2CC2)cc1)[NH+]1CCOCC1 ZINC000579702641 448856616 /nfs/dbraw/zinc/85/66/16/448856616.db2.gz ZYNMUFHXLATOFM-DNVCBOLYSA-N 2 1 333.476 1.947 20 0 EDADMP C[C@H](c1ccc(NC[C@@H](O)C[N@@H+](C)C2CC2)cc1)[NH+]1CCOCC1 ZINC000579702641 448856622 /nfs/dbraw/zinc/85/66/22/448856622.db2.gz ZYNMUFHXLATOFM-DNVCBOLYSA-N 2 1 333.476 1.947 20 0 EDADMP CC[C@H]1C[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)CC[C@@H]1[NH3+] ZINC000592489685 448860866 /nfs/dbraw/zinc/86/08/66/448860866.db2.gz ZQNDKOKUDFLDTE-HOTGVXAUSA-N 2 1 332.448 1.462 20 0 EDADMP Cn1ccnc1[C@H]1CC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000574581429 448907833 /nfs/dbraw/zinc/90/78/33/448907833.db2.gz KHOHNFTZCWHXMM-NWDGAFQWSA-N 2 1 330.354 1.763 20 0 EDADMP Cn1ccnc1[C@H]1CC[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000574581429 448907836 /nfs/dbraw/zinc/90/78/36/448907836.db2.gz KHOHNFTZCWHXMM-NWDGAFQWSA-N 2 1 330.354 1.763 20 0 EDADMP CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568738778 448912497 /nfs/dbraw/zinc/91/24/97/448912497.db2.gz TUBZFEVRTBEANP-MSOLQXFVSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@@H](NC(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000579938316 448913850 /nfs/dbraw/zinc/91/38/50/448913850.db2.gz NCKPQTWGILRBND-NXHRZFHOSA-N 2 1 343.471 1.564 20 0 EDADMP N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@@H]1CCSC1 ZINC000579837962 448892004 /nfs/dbraw/zinc/89/20/04/448892004.db2.gz APGICORHXUUGQL-ZBFHGGJFSA-N 2 1 330.457 1.423 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C[NH+](C)CC(C)(C)C)C[C@H](C)O1 ZINC000588901430 448947723 /nfs/dbraw/zinc/94/77/23/448947723.db2.gz BDMSNGHGIANNPP-GASCZTMLSA-N 2 1 327.513 1.968 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C[NH+](C)CC(C)(C)C)C[C@H](C)O1 ZINC000588901430 448947725 /nfs/dbraw/zinc/94/77/25/448947725.db2.gz BDMSNGHGIANNPP-GASCZTMLSA-N 2 1 327.513 1.968 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C[N@H+](C)CC(C)(C)C)C[C@H](C)O1 ZINC000588901430 448947729 /nfs/dbraw/zinc/94/77/29/448947729.db2.gz BDMSNGHGIANNPP-GASCZTMLSA-N 2 1 327.513 1.968 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C[N@@H+](C)CC(C)(C)C)C[C@H](C)O1 ZINC000588901430 448947731 /nfs/dbraw/zinc/94/77/31/448947731.db2.gz BDMSNGHGIANNPP-GASCZTMLSA-N 2 1 327.513 1.968 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589144045 448977196 /nfs/dbraw/zinc/97/71/96/448977196.db2.gz AGMKHGDMUPYMAX-RTBURBONSA-N 2 1 342.487 1.990 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000569337552 449006145 /nfs/dbraw/zinc/00/61/45/449006145.db2.gz GOMUVAVGGXPUBT-BZUAXINKSA-N 2 1 327.517 1.170 20 0 EDADMP C[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574999816 449010790 /nfs/dbraw/zinc/01/07/90/449010790.db2.gz NLUWSHZRKDQPSJ-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP CN1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000574999816 449010795 /nfs/dbraw/zinc/01/07/95/449010795.db2.gz NLUWSHZRKDQPSJ-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP CCc1nc(C)c([C@H](C)N(C)C[C@@H](O)C[N@@H+](C)CCOC)s1 ZINC000575076004 449030628 /nfs/dbraw/zinc/03/06/28/449030628.db2.gz VYUIUSLWYINXOS-KBPBESRZSA-N 2 1 329.510 1.946 20 0 EDADMP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@@H](O)CN(C)CCOC)s1 ZINC000575076004 449030632 /nfs/dbraw/zinc/03/06/32/449030632.db2.gz VYUIUSLWYINXOS-KBPBESRZSA-N 2 1 329.510 1.946 20 0 EDADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](O)CN(C)CCOC)s1 ZINC000575076004 449030636 /nfs/dbraw/zinc/03/06/36/449030636.db2.gz VYUIUSLWYINXOS-KBPBESRZSA-N 2 1 329.510 1.946 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592954793 449074975 /nfs/dbraw/zinc/07/49/75/449074975.db2.gz DGHVAEATOGRWRW-GJZGRUSLSA-N 2 1 333.480 1.714 20 0 EDADMP C[C@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[N@H+]1CCCC[C@H]1C ZINC000592956113 449076784 /nfs/dbraw/zinc/07/67/84/449076784.db2.gz DJQVHFYMTRYPPT-RBSFLKMASA-N 2 1 333.480 1.712 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CCCC1 ZINC000575353551 449083660 /nfs/dbraw/zinc/08/36/60/449083660.db2.gz DKKWJCFIHJBJSC-OAHLLOKOSA-N 2 1 338.496 1.258 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592964831 449088451 /nfs/dbraw/zinc/08/84/51/449088451.db2.gz NVDPUGMPFMEZBE-RBSFLKMASA-N 2 1 331.464 1.418 20 0 EDADMP CSC1(CNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC[NH+](C)CC1 ZINC000595634228 449092130 /nfs/dbraw/zinc/09/21/30/449092130.db2.gz GNGSNNLXWONDIH-AWEZNQCLSA-N 2 1 342.553 1.986 20 0 EDADMP COC(=O)[C@](C)(O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000575410313 449095140 /nfs/dbraw/zinc/09/51/40/449095140.db2.gz PJYZLDXESMABLP-RHSMWYFYSA-N 2 1 340.489 1.734 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000575410313 449095144 /nfs/dbraw/zinc/09/51/44/449095144.db2.gz PJYZLDXESMABLP-RHSMWYFYSA-N 2 1 340.489 1.734 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000575410313 449095148 /nfs/dbraw/zinc/09/51/48/449095148.db2.gz PJYZLDXESMABLP-RHSMWYFYSA-N 2 1 340.489 1.734 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)[C@@H](C)C1 ZINC000604418174 449228017 /nfs/dbraw/zinc/22/80/17/449228017.db2.gz KAJHNMCLRBIBRK-ULQDDVLXSA-N 2 1 335.496 1.651 20 0 EDADMP CC[C@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)[NH+](CC)CC ZINC000605427045 449382419 /nfs/dbraw/zinc/38/24/19/449382419.db2.gz NZNZNOPNIHIEGR-CVEARBPZSA-N 2 1 338.496 1.048 20 0 EDADMP COc1cc(C)cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1O ZINC000617506321 449653369 /nfs/dbraw/zinc/65/33/69/449653369.db2.gz KHBXRLBKRLVSJB-AWEZNQCLSA-N 2 1 337.464 1.711 20 0 EDADMP COc1cc(C)cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1O ZINC000617506321 449653375 /nfs/dbraw/zinc/65/33/75/449653375.db2.gz KHBXRLBKRLVSJB-AWEZNQCLSA-N 2 1 337.464 1.711 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000602533531 449656351 /nfs/dbraw/zinc/65/63/51/449656351.db2.gz VFMRPIHUONWABS-HNNXBMFYSA-N 2 1 344.459 1.355 20 0 EDADMP C[NH+]1CC[C@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000602533531 449656358 /nfs/dbraw/zinc/65/63/58/449656358.db2.gz VFMRPIHUONWABS-HNNXBMFYSA-N 2 1 344.459 1.355 20 0 EDADMP C[NH+]1CC[C@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000602533531 449656363 /nfs/dbraw/zinc/65/63/63/449656363.db2.gz VFMRPIHUONWABS-HNNXBMFYSA-N 2 1 344.459 1.355 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC000617507467 449658800 /nfs/dbraw/zinc/65/88/00/449658800.db2.gz XRJAWSFIYGEPRG-AWEZNQCLSA-N 2 1 346.479 1.417 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC000617507467 449658802 /nfs/dbraw/zinc/65/88/02/449658802.db2.gz XRJAWSFIYGEPRG-AWEZNQCLSA-N 2 1 346.479 1.417 20 0 EDADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCC(C)(C)N2CCN(C)CC2)C1 ZINC000601230108 449762889 /nfs/dbraw/zinc/76/28/89/449762889.db2.gz JFHXBFBJKAWVKH-INIZCTEOSA-N 2 1 339.528 1.184 20 0 EDADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000601230108 449762894 /nfs/dbraw/zinc/76/28/94/449762894.db2.gz JFHXBFBJKAWVKH-INIZCTEOSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H](CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000617749601 449815486 /nfs/dbraw/zinc/81/54/86/449815486.db2.gz OEXIMMGPRRGJFO-QGZVFWFLSA-N 2 1 332.492 1.261 20 0 EDADMP [NH3+][C@@H]1CCCCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000601324067 449832035 /nfs/dbraw/zinc/83/20/35/449832035.db2.gz GVXXIUKQZOJSIC-MRXNPFEDSA-N 2 1 332.448 1.606 20 0 EDADMP [NH3+][C@@H]1CCCCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000601324067 449832038 /nfs/dbraw/zinc/83/20/38/449832038.db2.gz GVXXIUKQZOJSIC-MRXNPFEDSA-N 2 1 332.448 1.606 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000599307844 449880425 /nfs/dbraw/zinc/88/04/25/449880425.db2.gz FAMLUPOGNSLDGW-IBGZPJMESA-N 2 1 344.503 1.799 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000612814101 449888581 /nfs/dbraw/zinc/88/85/81/449888581.db2.gz YNJOCUXWQHWKQJ-IXDOHACOSA-N 2 1 336.480 1.119 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000612814101 449888585 /nfs/dbraw/zinc/88/85/85/449888585.db2.gz YNJOCUXWQHWKQJ-IXDOHACOSA-N 2 1 336.480 1.119 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612882304 449924851 /nfs/dbraw/zinc/92/48/51/449924851.db2.gz FZSVSDWXQYVEBT-VQIMIIECSA-N 2 1 345.491 1.248 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@@H](c2ccccc2)C1 ZINC000612963958 449959083 /nfs/dbraw/zinc/95/90/83/449959083.db2.gz NFMSHVICXDXBHZ-IAGOWNOFSA-N 2 1 328.460 1.827 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@@H](c2ccccc2)C1 ZINC000612963958 449959086 /nfs/dbraw/zinc/95/90/86/449959086.db2.gz NFMSHVICXDXBHZ-IAGOWNOFSA-N 2 1 328.460 1.827 20 0 EDADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613210441 450082642 /nfs/dbraw/zinc/08/26/42/450082642.db2.gz QKBAVIWWNJMGBW-LOWVWBTDSA-N 2 1 331.243 1.884 20 0 EDADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613210441 450082645 /nfs/dbraw/zinc/08/26/45/450082645.db2.gz QKBAVIWWNJMGBW-LOWVWBTDSA-N 2 1 331.243 1.884 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CCc3ccccc3)C2)C1 ZINC000618354801 450170210 /nfs/dbraw/zinc/17/02/10/450170210.db2.gz JIZOOHTXNHIBPQ-OALUTQOASA-N 2 1 345.487 1.483 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CCc3ccccc3)C2)C1 ZINC000618354801 450170215 /nfs/dbraw/zinc/17/02/15/450170215.db2.gz JIZOOHTXNHIBPQ-OALUTQOASA-N 2 1 345.487 1.483 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000618354801 450170220 /nfs/dbraw/zinc/17/02/20/450170220.db2.gz JIZOOHTXNHIBPQ-OALUTQOASA-N 2 1 345.487 1.483 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000618354801 450170223 /nfs/dbraw/zinc/17/02/23/450170223.db2.gz JIZOOHTXNHIBPQ-OALUTQOASA-N 2 1 345.487 1.483 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000619967818 450385790 /nfs/dbraw/zinc/38/57/90/450385790.db2.gz XKSYFTBYZDVXFN-QZTJIDSGSA-N 2 1 349.519 1.866 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000619898142 450365258 /nfs/dbraw/zinc/36/52/58/450365258.db2.gz DWKQKTIYZJJUPW-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000619898142 450365264 /nfs/dbraw/zinc/36/52/64/450365264.db2.gz DWKQKTIYZJJUPW-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000619898142 450365270 /nfs/dbraw/zinc/36/52/70/450365270.db2.gz DWKQKTIYZJJUPW-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000619898142 450365275 /nfs/dbraw/zinc/36/52/75/450365275.db2.gz DWKQKTIYZJJUPW-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP O=C([C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000616549521 450445934 /nfs/dbraw/zinc/44/59/34/450445934.db2.gz FAUYKBOJKKCBFE-MOPGFXCFSA-N 2 1 343.471 1.143 20 0 EDADMP O=C([C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000616549521 450445935 /nfs/dbraw/zinc/44/59/35/450445935.db2.gz FAUYKBOJKKCBFE-MOPGFXCFSA-N 2 1 343.471 1.143 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)CC1 ZINC000625773863 450502567 /nfs/dbraw/zinc/50/25/67/450502567.db2.gz NSEKFBCVVSZQOC-CVEARBPZSA-N 2 1 325.522 1.945 20 0 EDADMP C[C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)[NH+]1CCSCC1 ZINC000620932878 450564059 /nfs/dbraw/zinc/56/40/59/450564059.db2.gz ITJQNOPJOKQCOP-CQSZACIVSA-N 2 1 325.522 1.662 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC000620971387 450567530 /nfs/dbraw/zinc/56/75/30/450567530.db2.gz HYJRDNVHNWEGNS-ZWKOTPCHSA-N 2 1 337.508 1.963 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633057561 450651591 /nfs/dbraw/zinc/65/15/91/450651591.db2.gz KXTXUUJLAAEPRY-UHFFFAOYSA-N 2 1 347.463 1.632 20 0 EDADMP C[N@@H+]1CC[C@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)CC1(C)C ZINC000623973088 450656167 /nfs/dbraw/zinc/65/61/67/450656167.db2.gz HAOGHVCJKGDNJN-KRWDZBQOSA-N 2 1 330.476 1.815 20 0 EDADMP C[N@H+]1CC[C@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)CC1(C)C ZINC000623973088 450656173 /nfs/dbraw/zinc/65/61/73/450656173.db2.gz HAOGHVCJKGDNJN-KRWDZBQOSA-N 2 1 330.476 1.815 20 0 EDADMP C[NH+]1CC[C@H](Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1(C)C ZINC000623973088 450656177 /nfs/dbraw/zinc/65/61/77/450656177.db2.gz HAOGHVCJKGDNJN-KRWDZBQOSA-N 2 1 330.476 1.815 20 0 EDADMP C[NH+]1CC[C@H](Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1(C)C ZINC000623973088 450656184 /nfs/dbraw/zinc/65/61/84/450656184.db2.gz HAOGHVCJKGDNJN-KRWDZBQOSA-N 2 1 330.476 1.815 20 0 EDADMP Nc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000624041916 450681901 /nfs/dbraw/zinc/68/19/01/450681901.db2.gz MOODHGHFHZHOBB-CABCVRRESA-N 2 1 339.447 1.188 20 0 EDADMP FC(F)CN1CCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000624097895 450705535 /nfs/dbraw/zinc/70/55/35/450705535.db2.gz ILLVVTKMKROALQ-HOTGVXAUSA-N 2 1 331.451 1.949 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000624115391 450711167 /nfs/dbraw/zinc/71/11/67/450711167.db2.gz UTKYORNPTUVPAI-QGZVFWFLSA-N 2 1 338.496 1.415 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000624115391 450711174 /nfs/dbraw/zinc/71/11/74/450711174.db2.gz UTKYORNPTUVPAI-QGZVFWFLSA-N 2 1 338.496 1.415 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000624115391 450711177 /nfs/dbraw/zinc/71/11/77/450711177.db2.gz UTKYORNPTUVPAI-QGZVFWFLSA-N 2 1 338.496 1.415 20 0 EDADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624119637 450715559 /nfs/dbraw/zinc/71/55/59/450715559.db2.gz GORUWCUIMPRDDP-CABCVRRESA-N 2 1 339.505 1.977 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1c[nH+]ccc1N ZINC000629549761 450730189 /nfs/dbraw/zinc/73/01/89/450730189.db2.gz IADUZXPKWJVNOY-GOEBONIOSA-N 2 1 327.432 1.441 20 0 EDADMP O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000629553295 450731962 /nfs/dbraw/zinc/73/19/62/450731962.db2.gz GYCZXCYCDUJSRN-KFWWJZLASA-N 2 1 327.428 1.935 20 0 EDADMP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C[NH+]1CCCC1 ZINC000629562366 450737840 /nfs/dbraw/zinc/73/78/40/450737840.db2.gz BQQRGAQXRYPOLQ-HXUWFJFHSA-N 3 1 347.503 1.190 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1SC ZINC000629567447 450739255 /nfs/dbraw/zinc/73/92/55/450739255.db2.gz OGUIWWLVRMKVTN-CYBMUJFWSA-N 2 1 325.478 1.903 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1SC ZINC000629567447 450739262 /nfs/dbraw/zinc/73/92/62/450739262.db2.gz OGUIWWLVRMKVTN-CYBMUJFWSA-N 2 1 325.478 1.903 20 0 EDADMP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1nc(-c2ccccc2)no1 ZINC000629573569 450742480 /nfs/dbraw/zinc/74/24/80/450742480.db2.gz FTOBKSVKDKUUGV-ZBFHGGJFSA-N 2 1 330.432 1.886 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000629571193 450742569 /nfs/dbraw/zinc/74/25/69/450742569.db2.gz IZADFTBZUHAVJO-OAHLLOKOSA-N 2 1 325.840 1.613 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000629571193 450742573 /nfs/dbraw/zinc/74/25/73/450742573.db2.gz IZADFTBZUHAVJO-OAHLLOKOSA-N 2 1 325.840 1.613 20 0 EDADMP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)CCOCC[NH3+] ZINC000629575363 450744301 /nfs/dbraw/zinc/74/43/01/450744301.db2.gz NAHNCQOVRDBJHT-NSHDSACASA-N 2 1 333.354 1.940 20 0 EDADMP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)CCOCC[NH3+] ZINC000629575363 450744306 /nfs/dbraw/zinc/74/43/06/450744306.db2.gz NAHNCQOVRDBJHT-NSHDSACASA-N 2 1 333.354 1.940 20 0 EDADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CCOCC[NH3+] ZINC000629578407 450746079 /nfs/dbraw/zinc/74/60/79/450746079.db2.gz CDLMOKSTNSJBIU-UHFFFAOYSA-N 2 1 329.828 1.584 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621652722 450816425 /nfs/dbraw/zinc/81/64/25/450816425.db2.gz DGTRGDLRKOZONY-ROUUACIJSA-N 2 1 336.524 1.395 20 0 EDADMP Cc1ccc([C@@H](CNS(=O)(=O)CCC[NH+](C)C)[NH+](C)C)cc1 ZINC000631812775 450791566 /nfs/dbraw/zinc/79/15/66/450791566.db2.gz MEBWGMTVCPXXSY-MRXNPFEDSA-N 2 1 327.494 1.469 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624347645 450802818 /nfs/dbraw/zinc/80/28/18/450802818.db2.gz VRODPZWESHFRKF-YNEHKIRRSA-N 2 1 327.436 1.184 20 0 EDADMP CC(=O)N1CC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000621750952 450857711 /nfs/dbraw/zinc/85/77/11/450857711.db2.gz ZMKOCXAXILSWIP-SFHVURJKSA-N 2 1 331.460 1.921 20 0 EDADMP C[N@@H+](CC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCC1 ZINC000629949247 450910705 /nfs/dbraw/zinc/91/07/05/450910705.db2.gz YZPOCWLJEXMTLV-UHFFFAOYSA-N 2 1 325.522 1.949 20 0 EDADMP C[NH2+]C1(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000630000367 450945190 /nfs/dbraw/zinc/94/51/90/450945190.db2.gz KAGQNOXEXGSOFN-QGZVFWFLSA-N 2 1 331.460 1.536 20 0 EDADMP C[NH2+]C1(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000630000367 450945198 /nfs/dbraw/zinc/94/51/98/450945198.db2.gz KAGQNOXEXGSOFN-QGZVFWFLSA-N 2 1 331.460 1.536 20 0 EDADMP O[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)CC1(O)CCOCC1 ZINC000630044644 450979888 /nfs/dbraw/zinc/97/98/88/450979888.db2.gz YIOLIWLJTQIXDE-NJAFHUGGSA-N 2 1 338.492 1.228 20 0 EDADMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)CC1(O)CCOCC1 ZINC000630044644 450979890 /nfs/dbraw/zinc/97/98/90/450979890.db2.gz YIOLIWLJTQIXDE-NJAFHUGGSA-N 2 1 338.492 1.228 20 0 EDADMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)CC1(O)CCOCC1 ZINC000630044644 450979893 /nfs/dbraw/zinc/97/98/93/450979893.db2.gz YIOLIWLJTQIXDE-NJAFHUGGSA-N 2 1 338.492 1.228 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CC2)c1 ZINC000635504651 450998665 /nfs/dbraw/zinc/99/86/65/450998665.db2.gz XPPBEAVOUFQHIA-KRWDZBQOSA-N 2 1 344.459 1.756 20 0 EDADMP CC(C)(CNC(=O)NC[C@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000626939168 451019883 /nfs/dbraw/zinc/01/98/83/451019883.db2.gz UBYGVUQSDJWSJG-KRWDZBQOSA-N 2 1 346.475 1.111 20 0 EDADMP CN1CC[NH+](CC2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)CC1 ZINC000635543004 451038528 /nfs/dbraw/zinc/03/85/28/451038528.db2.gz KDTYVVOTIQZECT-UHFFFAOYSA-N 2 1 338.540 1.450 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[N@@H+](C)C1CC1 ZINC000626970170 451041272 /nfs/dbraw/zinc/04/12/72/451041272.db2.gz KGSRVONJEPESAW-MDZLAQPJSA-N 2 1 336.402 1.638 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)CC[C@@H]21 ZINC000632111706 451043460 /nfs/dbraw/zinc/04/34/60/451043460.db2.gz BCOROYCAIXHUAD-HOTGVXAUSA-N 2 1 329.510 1.218 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000622134186 451060282 /nfs/dbraw/zinc/06/02/82/451060282.db2.gz XZVLBKLRHURXBO-HZPDHXFCSA-N 2 1 325.497 1.769 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC000635572559 451072389 /nfs/dbraw/zinc/07/23/89/451072389.db2.gz LTTDSPVBDCUDRQ-HZPDHXFCSA-N 2 1 325.497 1.581 20 0 EDADMP Cc1ccc(CNC(=O)NCC2([NH3+])CCOCC2)c(N2CCCC2)[nH+]1 ZINC000627012453 451076657 /nfs/dbraw/zinc/07/66/57/451076657.db2.gz ZTEGPDKLRHSJEC-UHFFFAOYSA-N 2 1 347.463 1.297 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000627013752 451078014 /nfs/dbraw/zinc/07/80/14/451078014.db2.gz RDHYPNJDENAGBX-FUHWJXTLSA-N 2 1 348.491 1.384 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635580183 451080317 /nfs/dbraw/zinc/08/03/17/451080317.db2.gz VTGVGKPWQBVZPA-SJORKVTESA-N 2 1 345.491 1.050 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635580183 451080324 /nfs/dbraw/zinc/08/03/24/451080324.db2.gz VTGVGKPWQBVZPA-SJORKVTESA-N 2 1 345.491 1.050 20 0 EDADMP C[C@@H](NS(=O)(=O)CC1([NH+](C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632197456 451108018 /nfs/dbraw/zinc/10/80/18/451108018.db2.gz QWDVSWYPAFTVPW-CABCVRRESA-N 2 1 343.537 1.653 20 0 EDADMP C[C@@H](NS(=O)(=O)CC1([NH+](C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000632197456 451108019 /nfs/dbraw/zinc/10/80/19/451108019.db2.gz QWDVSWYPAFTVPW-CABCVRRESA-N 2 1 343.537 1.653 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627111551 451128184 /nfs/dbraw/zinc/12/81/84/451128184.db2.gz SJSJGUXEQWPSBZ-JONQDZQNSA-N 2 1 326.485 1.124 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627111551 451128188 /nfs/dbraw/zinc/12/81/88/451128188.db2.gz SJSJGUXEQWPSBZ-JONQDZQNSA-N 2 1 326.485 1.124 20 0 EDADMP C[NH2+]CCOCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627174374 451165253 /nfs/dbraw/zinc/16/52/53/451165253.db2.gz IEHDLGZPCWHYPJ-KRWDZBQOSA-N 2 1 334.464 1.138 20 0 EDADMP Cc1ncc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)o1 ZINC000628230855 451189851 /nfs/dbraw/zinc/18/98/51/451189851.db2.gz WIBKBQKSMQKDHL-KRWDZBQOSA-N 2 1 330.432 1.362 20 0 EDADMP CCO[C@@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000625253006 451240714 /nfs/dbraw/zinc/24/07/14/451240714.db2.gz KLXJHEKIMZJIMJ-SFHVURJKSA-N 2 1 337.508 1.678 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@]2(C[NH3+])CCCOC2)cc1F ZINC000638085289 451250379 /nfs/dbraw/zinc/25/03/79/451250379.db2.gz XCGUDPSUEQPNEP-SFHVURJKSA-N 2 1 346.406 1.692 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC000638112119 451280026 /nfs/dbraw/zinc/28/00/26/451280026.db2.gz QMJVNBWRVDTSGJ-RVKKMQEKSA-N 2 1 325.497 1.770 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000630624769 451283970 /nfs/dbraw/zinc/28/39/70/451283970.db2.gz BZLFUVKTKWSFTD-YHUYYLMFSA-N 2 1 325.497 1.721 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1C ZINC000630624769 451283974 /nfs/dbraw/zinc/28/39/74/451283974.db2.gz BZLFUVKTKWSFTD-YHUYYLMFSA-N 2 1 325.497 1.721 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000630624769 451283981 /nfs/dbraw/zinc/28/39/81/451283981.db2.gz BZLFUVKTKWSFTD-YHUYYLMFSA-N 2 1 325.497 1.721 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000638116012 451284772 /nfs/dbraw/zinc/28/47/72/451284772.db2.gz BZUIZGHBKKMVTL-LNLFQRSKSA-N 2 1 331.460 1.534 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000638127915 451299166 /nfs/dbraw/zinc/29/91/66/451299166.db2.gz FZEIUDQVSAQZKX-NWGLXNPWSA-N 2 1 331.460 1.533 20 0 EDADMP COc1cccc([C@@H]([NH3+])C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000638129945 451300738 /nfs/dbraw/zinc/30/07/38/451300738.db2.gz GOZSVULDJIYXQE-MAUKXSAKSA-N 2 1 331.460 1.885 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000636578170 451319618 /nfs/dbraw/zinc/31/96/18/451319618.db2.gz DQJJCSFZLNXHTB-WMLDXEAASA-N 2 1 346.479 1.898 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1Cc2cncn2C1)[N@@H+]1CCc2sccc2C1 ZINC000636588712 451329960 /nfs/dbraw/zinc/32/99/60/451329960.db2.gz LTGDIAUYHRXQKU-TZMCWYRMSA-N 2 1 345.472 1.615 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1Cc2cncn2C1)[N@H+]1CCc2sccc2C1 ZINC000636588712 451329963 /nfs/dbraw/zinc/32/99/63/451329963.db2.gz LTGDIAUYHRXQKU-TZMCWYRMSA-N 2 1 345.472 1.615 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000638214953 451358185 /nfs/dbraw/zinc/35/81/85/451358185.db2.gz HSNVFKXVUYUSCB-MSOLQXFVSA-N 2 1 340.427 1.133 20 0 EDADMP Nc1nc(N)c(CNc2ccccc2C[NH+]2CCSCC2)c[nH+]1 ZINC000638238250 451374128 /nfs/dbraw/zinc/37/41/28/451374128.db2.gz DWIDXAFZNRWWQO-UHFFFAOYSA-N 2 1 330.461 1.463 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630747833 451381807 /nfs/dbraw/zinc/38/18/07/451381807.db2.gz WXPIMZMERXYRKM-MRXNPFEDSA-N 2 1 335.496 1.829 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000632574302 451415152 /nfs/dbraw/zinc/41/51/52/451415152.db2.gz FVCLWHYLXGVSRM-MRXNPFEDSA-N 2 1 325.478 1.132 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000632574302 451415157 /nfs/dbraw/zinc/41/51/57/451415157.db2.gz FVCLWHYLXGVSRM-MRXNPFEDSA-N 2 1 325.478 1.132 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)[C@]2(C)C[NH2+]CCO2)C[N@H+]1Cc1ccccc1 ZINC000638307805 451421228 /nfs/dbraw/zinc/42/12/28/451421228.db2.gz CTSMIEBGNPVUHR-KPFFTGBYSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638306427 451421661 /nfs/dbraw/zinc/42/16/61/451421661.db2.gz CKZKQAGOVYBLOV-VDZJLULYSA-N 2 1 331.460 1.392 20 0 EDADMP O[C@@]1(CN2CC[NH+](CC3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634642533 451435497 /nfs/dbraw/zinc/43/54/97/451435497.db2.gz LPRLLOXXXIGZQQ-HXUWFJFHSA-N 2 1 329.488 1.651 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000638373048 451470475 /nfs/dbraw/zinc/47/04/75/451470475.db2.gz JVAALPLKTKVGGG-SFHVURJKSA-N 2 1 349.475 1.056 20 0 EDADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)CC2(O)CCOCC2)c1 ZINC000634700492 451473925 /nfs/dbraw/zinc/47/39/25/451473925.db2.gz ANNCOPOQEXZZDF-SFHVURJKSA-N 2 1 336.476 1.520 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC[N@H+]1C ZINC000630930164 451489221 /nfs/dbraw/zinc/48/92/21/451489221.db2.gz DYGWLQIQXPJSBW-JKSUJKDBSA-N 2 1 332.448 1.469 20 0 EDADMP O[C@]1(C[NH2+]CC2(N3CCOCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634713108 451492966 /nfs/dbraw/zinc/49/29/66/451492966.db2.gz QMXBFSXYBXFRGH-FQEVSTJZSA-N 2 1 345.487 1.078 20 0 EDADMP O[C@]1(C[NH2+]CC2(N3CCOCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713108 451492971 /nfs/dbraw/zinc/49/29/71/451492971.db2.gz QMXBFSXYBXFRGH-FQEVSTJZSA-N 2 1 345.487 1.078 20 0 EDADMP O[C@]1(C[NH2+]CC2(CF)CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634716117 451496995 /nfs/dbraw/zinc/49/69/95/451496995.db2.gz OWIMKMGOWYXYCF-IBGZPJMESA-N 2 1 336.451 1.979 20 0 EDADMP O[C@]1(C[NH2+]CC2(CF)CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716117 451496999 /nfs/dbraw/zinc/49/69/99/451496999.db2.gz OWIMKMGOWYXYCF-IBGZPJMESA-N 2 1 336.451 1.979 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000638415559 451501622 /nfs/dbraw/zinc/50/16/22/451501622.db2.gz IHBIIKGSLISKRC-WSTZPKSXSA-N 2 1 345.487 1.529 20 0 EDADMP [NH3+]C1(CC(=O)NCCOCCF)CC[NH+](Cc2ccccc2)CC1 ZINC000638438531 451516532 /nfs/dbraw/zinc/51/65/32/451516532.db2.gz YINQEKRJZBMDOS-UHFFFAOYSA-N 2 1 337.439 1.472 20 0 EDADMP C[NH2+]CCOCCNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000638575834 451584984 /nfs/dbraw/zinc/58/49/84/451584984.db2.gz SGNSVZLHOVBUQB-ZDUSSCGKSA-N 2 1 334.247 1.606 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@@H]3COCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000638620075 451614691 /nfs/dbraw/zinc/61/46/91/451614691.db2.gz YKOPNQFDBZETNO-RVKKMQEKSA-N 2 1 347.459 1.014 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@@H]3COCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000638620075 451614693 /nfs/dbraw/zinc/61/46/93/451614693.db2.gz YKOPNQFDBZETNO-RVKKMQEKSA-N 2 1 347.459 1.014 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000638639792 451625552 /nfs/dbraw/zinc/62/55/52/451625552.db2.gz NLVXCQLADXWDPC-AEFFLSMTSA-N 3 1 344.503 1.627 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)c2sc3c(c2Br)C[NH2+]C3)C[NH2+]1 ZINC000638643263 451628036 /nfs/dbraw/zinc/62/80/36/451628036.db2.gz ZNDHLINRCNWMHK-HTQZYQBOSA-N 2 1 344.278 1.984 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000638775347 451686404 /nfs/dbraw/zinc/68/64/04/451686404.db2.gz CEUXAKRFACSNNZ-ZXFNITATSA-N 2 1 331.460 1.776 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917468 451735037 /nfs/dbraw/zinc/73/50/37/451735037.db2.gz FMEMDVMSEZICAK-JPLJXNOCSA-N 2 1 341.455 1.098 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)cc2F)CC1 ZINC000638933384 451739175 /nfs/dbraw/zinc/73/91/75/451739175.db2.gz BUCUNYUSWRKKGC-ZFWWWQNUSA-N 2 1 334.439 1.529 20 0 EDADMP C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000639144497 451776494 /nfs/dbraw/zinc/77/64/94/451776494.db2.gz ZUGOOWRSWVNJAB-OAGGEKHMSA-N 2 1 339.505 1.816 20 0 EDADMP C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000639144497 451776496 /nfs/dbraw/zinc/77/64/96/451776496.db2.gz ZUGOOWRSWVNJAB-OAGGEKHMSA-N 2 1 339.505 1.816 20 0 EDADMP COc1cc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)ccc1C ZINC000641113145 451753606 /nfs/dbraw/zinc/75/36/06/451753606.db2.gz XXTABFPPTNDNCQ-UHFFFAOYSA-N 2 1 329.448 1.609 20 0 EDADMP [NH3+][C@@H](C(=O)N[C@@H]1CC[C@@H]([NH3+])CC1)c1ccccc1Br ZINC000639030869 451754966 /nfs/dbraw/zinc/75/49/66/451754966.db2.gz ZNCOBPSVBXKAGX-GIPNMCIBSA-N 2 1 326.238 1.835 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000637207474 451756268 /nfs/dbraw/zinc/75/62/68/451756268.db2.gz IRWQHODBFXZUIH-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(OC)ns1 ZINC000639171172 451784169 /nfs/dbraw/zinc/78/41/69/451784169.db2.gz TZEFNEXEIWBQMI-AWEZNQCLSA-N 2 1 326.510 2.000 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641220724 451787164 /nfs/dbraw/zinc/78/71/64/451787164.db2.gz DXFLDXIPXOYMLC-GOEBONIOSA-N 2 1 337.855 1.681 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000642006591 451804760 /nfs/dbraw/zinc/80/47/60/451804760.db2.gz QQYNYSNSQVFRAZ-ZWKOTPCHSA-N 2 1 346.475 1.281 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000644525246 451841573 /nfs/dbraw/zinc/84/15/73/451841573.db2.gz DGNXSDRHHPXEPR-QFBILLFUSA-N 2 1 330.476 1.910 20 0 EDADMP O=S(=O)(CCn1ccnc1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000641333129 451856303 /nfs/dbraw/zinc/85/63/03/451856303.db2.gz ZWMGPNOUIVXYGQ-QGZVFWFLSA-N 2 1 348.472 1.467 20 0 EDADMP O=S(=O)(CCn1ccnc1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000641333129 451856312 /nfs/dbraw/zinc/85/63/12/451856312.db2.gz ZWMGPNOUIVXYGQ-QGZVFWFLSA-N 2 1 348.472 1.467 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000642321287 451859170 /nfs/dbraw/zinc/85/91/70/451859170.db2.gz WMFPXEQHMDTKNM-KRWDZBQOSA-N 2 1 346.475 1.013 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000644672987 451932431 /nfs/dbraw/zinc/93/24/31/451932431.db2.gz OORWNKVRWNLKRY-HOTGVXAUSA-N 2 1 327.419 1.408 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000644672987 451932437 /nfs/dbraw/zinc/93/24/37/451932437.db2.gz OORWNKVRWNLKRY-HOTGVXAUSA-N 2 1 327.419 1.408 20 0 EDADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000642753709 451950230 /nfs/dbraw/zinc/95/02/30/451950230.db2.gz XYWADRCWCHXZLX-JUVOFCAFSA-N 2 1 338.496 1.100 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000642732165 451941168 /nfs/dbraw/zinc/94/11/68/451941168.db2.gz LFORTUXZNQRGIC-HNNXBMFYSA-N 2 1 338.496 1.016 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)COC1(C)C[NH2+]C1)c1ccccc1Cl ZINC000649279487 451950982 /nfs/dbraw/zinc/95/09/82/451950982.db2.gz UHMOCQYLRCQRIP-AWEZNQCLSA-N 2 1 325.840 1.437 20 0 EDADMP COC[C@]1(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000649307422 451984728 /nfs/dbraw/zinc/98/47/28/451984728.db2.gz OKWWMARVAQJFRV-AYBZRNKSSA-N 2 1 331.460 1.707 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000649312354 451989247 /nfs/dbraw/zinc/98/92/47/451989247.db2.gz JGOUUWHWPZURQG-XWTMOSNGSA-N 2 1 336.524 1.378 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)c2C1 ZINC000649312940 451991121 /nfs/dbraw/zinc/99/11/21/451991121.db2.gz MUDUVIPNPHEJQG-CQSZACIVSA-N 2 1 340.431 1.790 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)c2C1 ZINC000649312940 451991126 /nfs/dbraw/zinc/99/11/26/451991126.db2.gz MUDUVIPNPHEJQG-CQSZACIVSA-N 2 1 340.431 1.790 20 0 EDADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000649327715 452008257 /nfs/dbraw/zinc/00/82/57/452008257.db2.gz GXSUCDFNEAEDGU-INIZCTEOSA-N 2 1 342.447 1.330 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1CCC([NH3+])CC1 ZINC000649335564 452016789 /nfs/dbraw/zinc/01/67/89/452016789.db2.gz JWFKKWJCYXWWCB-GTPINHCMSA-N 2 1 345.491 1.226 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)c2)C[C@@H](C)O1 ZINC000649337684 452017380 /nfs/dbraw/zinc/01/73/80/452017380.db2.gz GPTLVGKKPROQGY-POOHYDRCSA-N 2 1 329.444 1.700 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3CCC[C@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000649345864 452028005 /nfs/dbraw/zinc/02/80/05/452028005.db2.gz QGWDJVVXNKMDBF-HOCLYGCPSA-N 2 1 331.464 1.553 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000649350103 452033582 /nfs/dbraw/zinc/03/35/82/452033582.db2.gz FEMQKWMLUJVDSL-AEFFLSMTSA-N 2 1 330.476 1.748 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)o1 ZINC000649360875 452041754 /nfs/dbraw/zinc/04/17/54/452041754.db2.gz WNKUNRAEKCHXRJ-OAHLLOKOSA-N 2 1 345.447 1.642 20 0 EDADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643128288 452043607 /nfs/dbraw/zinc/04/36/07/452043607.db2.gz QDZVEFKIMMPTKR-UHFFFAOYSA-N 2 1 341.415 1.628 20 0 EDADMP CCCN(C(=O)C(=O)NCc1cc(C)nc(C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000647082058 452049490 /nfs/dbraw/zinc/04/94/90/452049490.db2.gz FZNJGBWYDMPEIR-MRXNPFEDSA-N 2 1 332.448 1.257 20 0 EDADMP CCCN(C(=O)C(=O)NCc1cc(C)nc(C)c1)[C@@H]1CCN(C)C1 ZINC000647082058 452049497 /nfs/dbraw/zinc/04/94/97/452049497.db2.gz FZNJGBWYDMPEIR-MRXNPFEDSA-N 2 1 332.448 1.257 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000647090766 452055681 /nfs/dbraw/zinc/05/56/81/452055681.db2.gz XKEFCPIGDQQUSL-MRXNPFEDSA-N 2 1 330.476 1.094 20 0 EDADMP Cc1nccn1[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000649412996 452075977 /nfs/dbraw/zinc/07/59/77/452075977.db2.gz HCKNQGXKAZWRSS-QYZOEREBSA-N 2 1 328.460 1.759 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000649414365 452076438 /nfs/dbraw/zinc/07/64/38/452076438.db2.gz VAHBGRPSLXZWKD-UFYCRDLUSA-N 2 1 331.504 1.581 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2)N1CCC[NH2+]CC1 ZINC000637803877 452090902 /nfs/dbraw/zinc/09/09/02/452090902.db2.gz QFQJRXFHFPHEAI-AZUAARDMSA-N 2 1 343.471 1.347 20 0 EDADMP COC1(CO)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000643252393 452097606 /nfs/dbraw/zinc/09/76/06/452097606.db2.gz VHCNFOHMDTYBBV-UHFFFAOYSA-N 2 1 334.460 1.492 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760161 452098539 /nfs/dbraw/zinc/09/85/39/452098539.db2.gz SJHTWZFGIPVCFN-GOSISDBHSA-N 2 1 348.487 1.990 20 0 EDADMP Cc1ccccc1-n1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000647179859 452109102 /nfs/dbraw/zinc/10/91/02/452109102.db2.gz SLBMVLHSMBDBGS-UHFFFAOYSA-N 2 1 341.459 1.434 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000645039956 452128915 /nfs/dbraw/zinc/12/89/15/452128915.db2.gz UYKQAJPGJQMCCV-JZXOWHBKSA-N 2 1 347.507 2.480 20 0 EDADMP c1cnc2c(c1)CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000643346208 452143711 /nfs/dbraw/zinc/14/37/11/452143711.db2.gz LZODZHHKYMEOOA-RBUKOAKNSA-N 2 1 344.503 1.325 20 0 EDADMP CCCN(C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@H]1CC[N@@H+](C)C1 ZINC000645126845 452165653 /nfs/dbraw/zinc/16/56/53/452165653.db2.gz QMHPMEGCZGIVCV-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP CCCN(C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CC[NH+](C)C1 ZINC000645126845 452165662 /nfs/dbraw/zinc/16/56/62/452165662.db2.gz QMHPMEGCZGIVCV-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP CCCN(C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CC[NH+](C)C1 ZINC000645126845 452165669 /nfs/dbraw/zinc/16/56/69/452165669.db2.gz QMHPMEGCZGIVCV-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC000645142915 452174774 /nfs/dbraw/zinc/17/47/74/452174774.db2.gz PCUZLLAWXXHWHD-MRXNPFEDSA-N 2 1 331.460 1.985 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651977836 452201021 /nfs/dbraw/zinc/20/10/21/452201021.db2.gz CMNNVVXOFLGWAX-LJQANCHMSA-N 2 1 331.504 1.895 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651977836 452201030 /nfs/dbraw/zinc/20/10/30/452201030.db2.gz CMNNVVXOFLGWAX-LJQANCHMSA-N 2 1 331.504 1.895 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651977836 452201038 /nfs/dbraw/zinc/20/10/38/452201038.db2.gz CMNNVVXOFLGWAX-LJQANCHMSA-N 2 1 331.504 1.895 20 0 EDADMP CN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000637981422 452224983 /nfs/dbraw/zinc/22/49/83/452224983.db2.gz SGWDHTFYBAGGMO-QGZVFWFLSA-N 2 1 331.460 1.617 20 0 EDADMP COc1cccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1OC(F)F ZINC000647493390 452236817 /nfs/dbraw/zinc/23/68/17/452236817.db2.gz LBOYPXOOOGZSBF-UHFFFAOYSA-N 2 1 329.391 1.634 20 0 EDADMP CCN(C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000663553234 452260181 /nfs/dbraw/zinc/26/01/81/452260181.db2.gz MSACVLPGNZIEFK-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP CCN(C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000663553234 452260191 /nfs/dbraw/zinc/26/01/91/452260191.db2.gz MSACVLPGNZIEFK-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP CCN(C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000663553234 452260200 /nfs/dbraw/zinc/26/02/00/452260200.db2.gz MSACVLPGNZIEFK-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP C[N@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)CC1CC[NH+](C)CC1 ZINC000638029446 452279250 /nfs/dbraw/zinc/27/92/50/452279250.db2.gz PMNCLUNXNUDGKT-UHFFFAOYSA-N 2 1 345.896 1.761 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000641804166 452281354 /nfs/dbraw/zinc/28/13/54/452281354.db2.gz IXMBTHXZPBRKSU-IRXDYDNUSA-N 2 1 326.444 1.768 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805792 452284366 /nfs/dbraw/zinc/28/43/66/452284366.db2.gz OOAOJJGQDJMRQZ-IAGOWNOFSA-N 2 1 333.476 1.945 20 0 EDADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000641805829 452285636 /nfs/dbraw/zinc/28/56/36/452285636.db2.gz OWHSDYNHSPUPBV-UVBJJODRSA-N 2 1 333.432 1.890 20 0 EDADMP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000659454664 452304180 /nfs/dbraw/zinc/30/41/80/452304180.db2.gz LLNUTGZXCOCFNO-TVRKMHQQSA-N 2 1 328.460 1.784 20 0 EDADMP CC(C)[NH+](CCNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000638047387 452316041 /nfs/dbraw/zinc/31/60/41/452316041.db2.gz GKTXNXPWYRJDMR-GOSISDBHSA-N 2 1 334.508 1.681 20 0 EDADMP CC(C)[NH+](CCNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1)C(C)C ZINC000638047387 452316048 /nfs/dbraw/zinc/31/60/48/452316048.db2.gz GKTXNXPWYRJDMR-GOSISDBHSA-N 2 1 334.508 1.681 20 0 EDADMP C[C@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccn1 ZINC000657533817 452316766 /nfs/dbraw/zinc/31/67/66/452316766.db2.gz CYYICPWDGVNISH-OAHLLOKOSA-N 2 1 326.448 1.517 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000652123828 452320559 /nfs/dbraw/zinc/32/05/59/452320559.db2.gz BCDPFWRFAPMVCJ-SFHVURJKSA-N 2 1 348.491 1.562 20 0 EDADMP C[NH+]1CCC([NH2+]CCNC(=O)c2ccc(Br)cn2)CC1 ZINC000657561648 452334612 /nfs/dbraw/zinc/33/46/12/452334612.db2.gz CJCDFEJFUJWJHP-UHFFFAOYSA-N 2 1 341.253 1.258 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659482053 452340777 /nfs/dbraw/zinc/34/07/77/452340777.db2.gz UGDRXVVHINIUDE-DZJNRPSUSA-N 2 1 348.466 1.978 20 0 EDADMP C[C@@H](CO)[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665763443 452342706 /nfs/dbraw/zinc/34/27/06/452342706.db2.gz AVXCZPYPMQGGDT-ULQDDVLXSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H](CO)[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665763443 452342715 /nfs/dbraw/zinc/34/27/15/452342715.db2.gz AVXCZPYPMQGGDT-ULQDDVLXSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000665763595 452343447 /nfs/dbraw/zinc/34/34/47/452343447.db2.gz GOGBASHBKMEDQR-STQMWFEESA-N 2 1 334.455 1.849 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000665763595 452343438 /nfs/dbraw/zinc/34/34/38/452343438.db2.gz GOGBASHBKMEDQR-STQMWFEESA-N 2 1 334.455 1.849 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NCC12CC(C1)C[NH2+]2 ZINC000659490522 452350354 /nfs/dbraw/zinc/35/03/54/452350354.db2.gz WKTDEPSQVJUWAN-LRYGQEGESA-N 2 1 328.460 1.560 20 0 EDADMP COCCN1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657595195 452363663 /nfs/dbraw/zinc/36/36/63/452363663.db2.gz FVHGWLKMCUJRDV-OALUTQOASA-N 2 1 333.476 1.064 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638065863 452367882 /nfs/dbraw/zinc/36/78/82/452367882.db2.gz BZJMDXQYUDJZLN-JZXOWHBKSA-N 2 1 325.497 1.616 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652179624 452373870 /nfs/dbraw/zinc/37/38/70/452373870.db2.gz SSXFWWFSBGYWQW-WBVHZDCISA-N 2 1 330.476 1.935 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000638070515 452377189 /nfs/dbraw/zinc/37/71/89/452377189.db2.gz ZOTJNWFAYCJJTM-YOEHRIQHSA-N 2 1 337.489 1.202 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000638074265 452384088 /nfs/dbraw/zinc/38/40/88/452384088.db2.gz KLFBFKZTIHAFRI-RLFYNMQTSA-N 2 1 344.459 1.876 20 0 EDADMP C[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659536065 452396695 /nfs/dbraw/zinc/39/66/95/452396695.db2.gz DXKNYFWQPWBTHK-RDJZCZTQSA-N 2 1 330.476 1.935 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)[C@@H](Cc2ccccc2)C1 ZINC000652201587 452398722 /nfs/dbraw/zinc/39/87/22/452398722.db2.gz JVOIZCHIEIWUGY-ROUUACIJSA-N 2 1 330.476 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)[C@@H](Cc2ccccc2)C1 ZINC000652201587 452398727 /nfs/dbraw/zinc/39/87/27/452398727.db2.gz JVOIZCHIEIWUGY-ROUUACIJSA-N 2 1 330.476 1.697 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC[NH2+]1 ZINC000652217357 452411587 /nfs/dbraw/zinc/41/15/87/452411587.db2.gz VJADXJUOOPWMKU-NJAFHUGGSA-N 2 1 330.476 1.695 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC[NH2+]1 ZINC000652217357 452411597 /nfs/dbraw/zinc/41/15/97/452411597.db2.gz VJADXJUOOPWMKU-NJAFHUGGSA-N 2 1 330.476 1.695 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659575988 452430987 /nfs/dbraw/zinc/43/09/87/452430987.db2.gz XLMBXJJDEBMGDQ-KZNAEPCWSA-N 2 1 330.476 1.916 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C[C@H](C)[N@@H+]1C ZINC000659577190 452432585 /nfs/dbraw/zinc/43/25/85/452432585.db2.gz PIJYWEPUOYAIQJ-CYGHRXIMSA-N 2 1 330.476 1.866 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654404507 452456936 /nfs/dbraw/zinc/45/69/36/452456936.db2.gz OIEZHFOCSFQBML-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000659603110 452459320 /nfs/dbraw/zinc/45/93/20/452459320.db2.gz SRIQGKJXBHZQMK-YOEHRIQHSA-N 2 1 326.460 1.736 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000659603110 452459329 /nfs/dbraw/zinc/45/93/29/452459329.db2.gz SRIQGKJXBHZQMK-YOEHRIQHSA-N 2 1 326.460 1.736 20 0 EDADMP CCCN(C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000645491429 452461367 /nfs/dbraw/zinc/46/13/67/452461367.db2.gz BPBWPBXBMKWGQR-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP CCCN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CC[NH+](C)C1 ZINC000645491429 452461375 /nfs/dbraw/zinc/46/13/75/452461375.db2.gz BPBWPBXBMKWGQR-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP CCCN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CC[NH+](C)C1 ZINC000645491429 452461385 /nfs/dbraw/zinc/46/13/85/452461385.db2.gz BPBWPBXBMKWGQR-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP C[N@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)CC1=CCCOC1 ZINC000661654892 452468362 /nfs/dbraw/zinc/46/83/62/452468362.db2.gz IMCWUUQDFLJYSJ-UHFFFAOYSA-N 2 1 349.500 1.671 20 0 EDADMP C[N@@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)CC1=CCCOC1 ZINC000661654892 452468366 /nfs/dbraw/zinc/46/83/66/452468366.db2.gz IMCWUUQDFLJYSJ-UHFFFAOYSA-N 2 1 349.500 1.671 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000652288878 452471465 /nfs/dbraw/zinc/47/14/65/452471465.db2.gz ANLIJGWMGMJAHO-OAHLLOKOSA-N 2 1 348.491 1.393 20 0 EDADMP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)on1 ZINC000652347491 452522349 /nfs/dbraw/zinc/52/23/49/452522349.db2.gz CAMCXRXGAIVXKG-ZQDZILKHSA-N 2 1 336.436 1.528 20 0 EDADMP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)on1 ZINC000652347491 452522360 /nfs/dbraw/zinc/52/23/60/452522360.db2.gz CAMCXRXGAIVXKG-ZQDZILKHSA-N 2 1 336.436 1.528 20 0 EDADMP Cn1cc(-c2cc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)on2)cn1 ZINC000652349427 452525312 /nfs/dbraw/zinc/52/53/12/452525312.db2.gz OPUROMZGHBASHI-DHSIGJKJSA-N 2 1 345.447 1.793 20 0 EDADMP Cn1cc(-c2cc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)on2)cn1 ZINC000652349429 452526877 /nfs/dbraw/zinc/52/68/77/452526877.db2.gz OPUROMZGHBASHI-JOQOYGCGSA-N 2 1 345.447 1.793 20 0 EDADMP C[C@H](Cn1cncn1)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000657835183 452558726 /nfs/dbraw/zinc/55/87/26/452558726.db2.gz OKASIXSBRALHPF-IEBWSBKVSA-N 2 1 342.491 1.635 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H](C)O)CC1 ZINC000661772490 452568020 /nfs/dbraw/zinc/56/80/20/452568020.db2.gz ZNUAWGASCQGCAA-PKOBYXMFSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H](C)O)CC1 ZINC000661772490 452568025 /nfs/dbraw/zinc/56/80/25/452568025.db2.gz ZNUAWGASCQGCAA-PKOBYXMFSA-N 2 1 345.487 1.484 20 0 EDADMP CSc1ccccc1NC(=O)CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835062 452570932 /nfs/dbraw/zinc/57/09/32/452570932.db2.gz KWAKUWMTSDULHL-UHFFFAOYSA-N 2 1 336.505 1.574 20 0 EDADMP COC1([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCOCC1 ZINC000655776924 452571072 /nfs/dbraw/zinc/57/10/72/452571072.db2.gz NPCXYYNIBXSZER-RDJZCZTQSA-N 2 1 326.481 1.804 20 0 EDADMP Cn1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1=O ZINC000647913669 452651365 /nfs/dbraw/zinc/65/13/65/452651365.db2.gz GWVUIWVPLJMSRK-SFHVURJKSA-N 2 1 326.444 1.925 20 0 EDADMP Cn1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1=O ZINC000647913669 452651373 /nfs/dbraw/zinc/65/13/73/452651373.db2.gz GWVUIWVPLJMSRK-SFHVURJKSA-N 2 1 326.444 1.925 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654566729 452652704 /nfs/dbraw/zinc/65/27/04/452652704.db2.gz MYWYZAOBCOSMLK-LUKYLMHMSA-N 2 1 342.528 1.904 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654566729 452652713 /nfs/dbraw/zinc/65/27/13/452652713.db2.gz MYWYZAOBCOSMLK-LUKYLMHMSA-N 2 1 342.528 1.904 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654566729 452652721 /nfs/dbraw/zinc/65/27/21/452652721.db2.gz MYWYZAOBCOSMLK-LUKYLMHMSA-N 2 1 342.528 1.904 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654566729 452652729 /nfs/dbraw/zinc/65/27/29/452652729.db2.gz MYWYZAOBCOSMLK-LUKYLMHMSA-N 2 1 342.528 1.904 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000655921276 452684621 /nfs/dbraw/zinc/68/46/21/452684621.db2.gz NEIPATVCWVQPAG-KWCYVHTRSA-N 2 1 344.381 1.838 20 0 EDADMP Cc1cn2nc(N[C@@H]3CC[N@H+](CCCn4cc[nH+]c4C)C3)ccc2n1 ZINC000647947650 452691694 /nfs/dbraw/zinc/69/16/94/452691694.db2.gz SGOXVTVPTXUMTK-MRXNPFEDSA-N 2 1 339.447 2.119 20 0 EDADMP Cc1cn2nc(N[C@@H]3CC[N@@H+](CCCn4cc[nH+]c4C)C3)ccc2n1 ZINC000647947650 452691701 /nfs/dbraw/zinc/69/17/01/452691701.db2.gz SGOXVTVPTXUMTK-MRXNPFEDSA-N 2 1 339.447 2.119 20 0 EDADMP C[C@H]1C[NH+](CCN2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000659820847 452708357 /nfs/dbraw/zinc/70/83/57/452708357.db2.gz VJPQMCCRQGXWJP-OALUTQOASA-N 2 1 331.504 1.956 20 0 EDADMP C(c1nnnn1CC1CCOCC1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978699 452722767 /nfs/dbraw/zinc/72/27/67/452722767.db2.gz WWTXZFLHCBOHNW-IAGOWNOFSA-N 2 1 348.495 1.311 20 0 EDADMP C(c1nnnn1CC1CCOCC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978699 452722777 /nfs/dbraw/zinc/72/27/77/452722777.db2.gz WWTXZFLHCBOHNW-IAGOWNOFSA-N 2 1 348.495 1.311 20 0 EDADMP O=C1[C@H]([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCN1CC(F)(F)F ZINC000647978176 452723808 /nfs/dbraw/zinc/72/38/08/452723808.db2.gz NRKGVIBJBNQAAS-BFHYXJOUSA-N 2 1 333.398 1.861 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978140 452723925 /nfs/dbraw/zinc/72/39/25/452723925.db2.gz NFHBKPBQHCPQMW-FYQPLNBISA-N 3 1 331.504 1.629 20 0 EDADMP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978140 452723935 /nfs/dbraw/zinc/72/39/35/452723935.db2.gz NFHBKPBQHCPQMW-FYQPLNBISA-N 2 1 331.504 1.629 20 0 EDADMP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978140 452723945 /nfs/dbraw/zinc/72/39/45/452723945.db2.gz NFHBKPBQHCPQMW-FYQPLNBISA-N 2 1 331.504 1.629 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3CC[NH+]3C(C)(C)C)cc2C1 ZINC000658121585 452732780 /nfs/dbraw/zinc/73/27/80/452732780.db2.gz BSCOKTQTLRSHCR-INIZCTEOSA-N 2 1 344.459 1.560 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3CC[NH+]3C(C)(C)C)cc2C1 ZINC000658121585 452732789 /nfs/dbraw/zinc/73/27/89/452732789.db2.gz BSCOKTQTLRSHCR-INIZCTEOSA-N 2 1 344.459 1.560 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)cc2C1 ZINC000658121585 452732796 /nfs/dbraw/zinc/73/27/96/452732796.db2.gz BSCOKTQTLRSHCR-INIZCTEOSA-N 2 1 344.459 1.560 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)cc2C1 ZINC000658121585 452732801 /nfs/dbraw/zinc/73/28/01/452732801.db2.gz BSCOKTQTLRSHCR-INIZCTEOSA-N 2 1 344.459 1.560 20 0 EDADMP C[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969916 452749463 /nfs/dbraw/zinc/74/94/63/452749463.db2.gz DEKOBCIPDHQEDQ-USCDRTNBSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969916 452749473 /nfs/dbraw/zinc/74/94/73/452749473.db2.gz DEKOBCIPDHQEDQ-USCDRTNBSA-N 2 1 338.496 1.409 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654727631 452843145 /nfs/dbraw/zinc/84/31/45/452843145.db2.gz QXLOAQSRLOBEGB-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@H]1C ZINC000659983494 452891159 /nfs/dbraw/zinc/89/11/59/452891159.db2.gz NZQQMHGNVYKUDT-GDBMZVCRSA-N 2 1 339.505 1.899 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@H]1C ZINC000659983494 452891185 /nfs/dbraw/zinc/89/11/85/452891185.db2.gz NZQQMHGNVYKUDT-GDBMZVCRSA-N 2 1 339.505 1.899 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@H]1C ZINC000659983494 452891194 /nfs/dbraw/zinc/89/11/94/452891194.db2.gz NZQQMHGNVYKUDT-GDBMZVCRSA-N 2 1 339.505 1.899 20 0 EDADMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953217 452933627 /nfs/dbraw/zinc/93/36/27/452933627.db2.gz JJPAFFICUSJECL-WBVHZDCISA-N 2 1 326.444 1.638 20 0 EDADMP Cc1ccc([C@H](CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)[NH+](C)C)cc1 ZINC000650779479 452990909 /nfs/dbraw/zinc/99/09/09/452990909.db2.gz DVURVWLNQDAQJB-MSOLQXFVSA-N 2 1 346.475 1.058 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]([NH3+])CC3CCCCC3)CC2)C1 ZINC000646002969 452997992 /nfs/dbraw/zinc/99/79/92/452997992.db2.gz LRRQKGCHXKEMRG-ZWKOTPCHSA-N 2 1 336.524 1.523 20 0 EDADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000646003149 452999023 /nfs/dbraw/zinc/99/90/23/452999023.db2.gz ULJGMTXZIIOYKZ-MAUKXSAKSA-N 2 1 330.476 1.558 20 0 EDADMP Fc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000662275340 453001357 /nfs/dbraw/zinc/00/13/57/453001357.db2.gz AOLATDPZLVXFDP-CQSZACIVSA-N 2 1 329.366 1.907 20 0 EDADMP Fc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000662275340 453001363 /nfs/dbraw/zinc/00/13/63/453001363.db2.gz AOLATDPZLVXFDP-CQSZACIVSA-N 2 1 329.366 1.907 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)cn1 ZINC000650813292 453013161 /nfs/dbraw/zinc/01/31/61/453013161.db2.gz GPRSPEXINDAPOX-UHFFFAOYSA-N 2 1 325.376 1.278 20 0 EDADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000662337232 453053053 /nfs/dbraw/zinc/05/30/53/453053053.db2.gz KIPMMGFURXETOH-IRXDYDNUSA-N 2 1 347.507 1.958 20 0 EDADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662336728 453053930 /nfs/dbraw/zinc/05/39/30/453053930.db2.gz GCBUVUYMQAERIS-SJORKVTESA-N 3 1 346.523 1.388 20 0 EDADMP c1csc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662337979 453057133 /nfs/dbraw/zinc/05/71/33/453057133.db2.gz ONILCVMLEGFUCR-CYBMUJFWSA-N 2 1 332.477 1.655 20 0 EDADMP c1csc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662337979 453057144 /nfs/dbraw/zinc/05/71/44/453057144.db2.gz ONILCVMLEGFUCR-CYBMUJFWSA-N 2 1 332.477 1.655 20 0 EDADMP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103620 453105568 /nfs/dbraw/zinc/10/55/68/453105568.db2.gz ZAKNUVFYAJJQFB-BBWFWOEESA-N 2 1 337.508 1.961 20 0 EDADMP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103620 453105571 /nfs/dbraw/zinc/10/55/71/453105571.db2.gz ZAKNUVFYAJJQFB-BBWFWOEESA-N 2 1 337.508 1.961 20 0 EDADMP C[C@H]1CN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@H+]1CC(C)(C)O ZINC000656380350 453152390 /nfs/dbraw/zinc/15/23/90/453152390.db2.gz IBZZURJAZXHDGS-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]1CN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000656380350 453152397 /nfs/dbraw/zinc/15/23/97/453152397.db2.gz IBZZURJAZXHDGS-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]1CN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000656380350 453152402 /nfs/dbraw/zinc/15/24/02/453152402.db2.gz IBZZURJAZXHDGS-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)n1C ZINC000662460102 453169154 /nfs/dbraw/zinc/16/91/54/453169154.db2.gz FWNIFFNBMWCCDH-OAHLLOKOSA-N 2 1 341.459 1.795 20 0 EDADMP CC(C)[NH+]1CC(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000655052634 453172834 /nfs/dbraw/zinc/17/28/34/453172834.db2.gz MBHOKVQUNJGGKU-UHFFFAOYSA-N 2 1 345.487 1.713 20 0 EDADMP CC(C)[C@H](CNC(=O)c1cccc2c1C[NH2+]C2)N1CC[NH+](C)CC1 ZINC000662479736 453193351 /nfs/dbraw/zinc/19/33/51/453193351.db2.gz LSAKULABBASOIT-SFHVURJKSA-N 2 1 330.476 1.292 20 0 EDADMP CN(CCC[NH3+])Cc1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455362 453197461 /nfs/dbraw/zinc/19/74/61/453197461.db2.gz DYCVECSTPLZRPU-SFHVURJKSA-N 2 1 328.464 1.506 20 0 EDADMP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000662505501 453220980 /nfs/dbraw/zinc/22/09/80/453220980.db2.gz MSEVAKWQSXVPBV-KEYYUXOJSA-N 2 1 343.475 1.576 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC000648777058 453255952 /nfs/dbraw/zinc/25/59/52/453255952.db2.gz GSIXSFRTWMZHBI-FVQBIDKESA-N 2 1 331.464 1.519 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC000648777058 453255955 /nfs/dbraw/zinc/25/59/55/453255955.db2.gz GSIXSFRTWMZHBI-FVQBIDKESA-N 2 1 331.464 1.519 20 0 EDADMP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662544157 453271749 /nfs/dbraw/zinc/27/17/49/453271749.db2.gz YWNUMYVDLTWZEB-RISCZKNCSA-N 2 1 340.265 1.859 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000660403546 453277008 /nfs/dbraw/zinc/27/70/08/453277008.db2.gz DAVYKGCRHHUFKU-QGZVFWFLSA-N 2 1 339.528 1.188 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000660403546 453277014 /nfs/dbraw/zinc/27/70/14/453277014.db2.gz DAVYKGCRHHUFKU-QGZVFWFLSA-N 2 1 339.528 1.188 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000660403546 453277025 /nfs/dbraw/zinc/27/70/25/453277025.db2.gz DAVYKGCRHHUFKU-QGZVFWFLSA-N 2 1 339.528 1.188 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653108491 453292353 /nfs/dbraw/zinc/29/23/53/453292353.db2.gz ZKRBDPJTIQFMHS-ICSRJNTNSA-N 2 1 343.471 1.265 20 0 EDADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)c1cccc2c1C[NH2+]C2 ZINC000662571397 453298808 /nfs/dbraw/zinc/29/88/08/453298808.db2.gz OAHXWPVRUWXZTF-UHFFFAOYSA-N 2 1 328.460 1.236 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NCC2([NH3+])CCCC2)c2ccccc2)CC1 ZINC000662652346 453365725 /nfs/dbraw/zinc/36/57/25/453365725.db2.gz LDOQJLNVVXTZHU-QGZVFWFLSA-N 2 1 330.476 1.363 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])c1ccccc1Cl ZINC000662664287 453377414 /nfs/dbraw/zinc/37/74/14/453377414.db2.gz QRQQYHNCZNVPQI-CFVMTHIKSA-N 2 1 325.840 1.423 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NCCC3(C[NH3+])CC3)cc2F)CC1 ZINC000653221500 453409454 /nfs/dbraw/zinc/40/94/54/453409454.db2.gz ZJURDOLXQDOCCN-UHFFFAOYSA-N 2 1 348.466 1.826 20 0 EDADMP [NH3+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c(F)c1 ZINC000653224196 453411284 /nfs/dbraw/zinc/41/12/84/453411284.db2.gz NMSUXCNUUGFSML-GOSISDBHSA-N 2 1 342.418 1.960 20 0 EDADMP [NH3+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c(F)c1 ZINC000653224196 453411292 /nfs/dbraw/zinc/41/12/92/453411292.db2.gz NMSUXCNUUGFSML-GOSISDBHSA-N 2 1 342.418 1.960 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1F ZINC000662695086 453417087 /nfs/dbraw/zinc/41/70/87/453417087.db2.gz FYHFNFGBSSVOBX-XJKSGUPXSA-N 2 1 332.379 1.300 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000662699386 453419332 /nfs/dbraw/zinc/41/93/32/453419332.db2.gz QDVMLOISKKZFLA-BPUTZDHNSA-N 2 1 337.489 1.440 20 0 EDADMP C[C@@H]1C[NH+](CCN2CCC([N@H+]3CCOC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000660589013 453430784 /nfs/dbraw/zinc/43/07/84/453430784.db2.gz DBRFGENLAXCRQO-GVDBMIGSSA-N 2 1 325.497 1.281 20 0 EDADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662708153 453430795 /nfs/dbraw/zinc/43/07/95/453430795.db2.gz PLBPPPZRIAISMN-BZUAXINKSA-N 2 1 337.508 1.770 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662710568 453434073 /nfs/dbraw/zinc/43/40/73/453434073.db2.gz HKXPSRGMGVLSHH-XHSDSOJGSA-N 2 1 348.495 1.585 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662711923 453436122 /nfs/dbraw/zinc/43/61/22/453436122.db2.gz CVOGVBXFWGPDHU-MSOLQXFVSA-N 2 1 345.487 1.769 20 0 EDADMP C[N@@H+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)[C@@H](Cc2ccccc2)C1 ZINC000653253967 453438385 /nfs/dbraw/zinc/43/83/85/453438385.db2.gz FPRAXQWWDJPWTD-ZWKOTPCHSA-N 2 1 331.460 1.140 20 0 EDADMP C[N@H+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)[C@@H](Cc2ccccc2)C1 ZINC000653253967 453438390 /nfs/dbraw/zinc/43/83/90/453438390.db2.gz FPRAXQWWDJPWTD-ZWKOTPCHSA-N 2 1 331.460 1.140 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N2CCC(CC[NH3+])CC2)c2ccccc2)CC1 ZINC000653256590 453439405 /nfs/dbraw/zinc/43/94/05/453439405.db2.gz FDKZPIFOQOJAFK-LJQANCHMSA-N 2 1 344.503 1.563 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)CC2([NH3+])CC2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000662738047 453462106 /nfs/dbraw/zinc/46/21/06/453462106.db2.gz DEIWIOCBCOFPQS-MRXNPFEDSA-N 2 1 344.459 1.673 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)CC2([NH3+])CC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000662738046 453463252 /nfs/dbraw/zinc/46/32/52/453463252.db2.gz DEIWIOCBCOFPQS-INIZCTEOSA-N 2 1 344.459 1.673 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[C@H](C)C1 ZINC000662746619 453476162 /nfs/dbraw/zinc/47/61/62/453476162.db2.gz VFMSJUJSFUNOGE-INMHGKMJSA-N 2 1 348.495 1.395 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3[NH2+]CCC3(C)C)cc2)CC1 ZINC000662758908 453495686 /nfs/dbraw/zinc/49/56/86/453495686.db2.gz VCZTUMBUOPPLSF-QGZVFWFLSA-N 2 1 330.476 1.761 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000660701404 453525524 /nfs/dbraw/zinc/52/55/24/453525524.db2.gz SCRZDOFSSVJDKX-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655444210 453531864 /nfs/dbraw/zinc/53/18/64/453531864.db2.gz PRACNJCQODVQEH-ICSRJNTNSA-N 2 1 343.471 1.525 20 0 EDADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1F ZINC000662870326 453581717 /nfs/dbraw/zinc/58/17/17/453581717.db2.gz DGWPFIWKQJAMHS-UTXMOHQDSA-N 2 1 349.450 1.736 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CCO1 ZINC000662972821 453631040 /nfs/dbraw/zinc/63/10/40/453631040.db2.gz MOARXZZXGJEQGB-BBRMVZONSA-N 2 1 341.402 1.534 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660885793 453632095 /nfs/dbraw/zinc/63/20/95/453632095.db2.gz ARJYHIRJBXEOTD-KBRIMQKVSA-N 2 1 336.480 1.022 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000660934327 453652834 /nfs/dbraw/zinc/65/28/34/453652834.db2.gz PORHNKFPXQUIKK-USXIJHARSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000660934327 453652838 /nfs/dbraw/zinc/65/28/38/453652838.db2.gz PORHNKFPXQUIKK-USXIJHARSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000660934327 453652839 /nfs/dbraw/zinc/65/28/39/453652839.db2.gz PORHNKFPXQUIKK-USXIJHARSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000660934327 453652842 /nfs/dbraw/zinc/65/28/42/453652842.db2.gz PORHNKFPXQUIKK-USXIJHARSA-N 2 1 338.496 1.127 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665363979 453668557 /nfs/dbraw/zinc/66/85/57/453668557.db2.gz HAACKKBJVUDGKC-INIZCTEOSA-N 2 1 340.512 1.347 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665363979 453668563 /nfs/dbraw/zinc/66/85/63/453668563.db2.gz HAACKKBJVUDGKC-INIZCTEOSA-N 2 1 340.512 1.347 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000665363979 453668569 /nfs/dbraw/zinc/66/85/69/453668569.db2.gz HAACKKBJVUDGKC-INIZCTEOSA-N 2 1 340.512 1.347 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@H]1c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000663250049 453745999 /nfs/dbraw/zinc/74/59/99/453745999.db2.gz AOQXGDSQTYUJAS-CVEARBPZSA-N 2 1 344.415 1.400 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000665557280 453749295 /nfs/dbraw/zinc/74/92/95/453749295.db2.gz QIYHQDSLPUOOSS-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000665557280 453749296 /nfs/dbraw/zinc/74/92/96/453749296.db2.gz QIYHQDSLPUOOSS-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000665640004 453778664 /nfs/dbraw/zinc/77/86/64/453778664.db2.gz LJTCPWBRRDRCLK-LSDHHAIUSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000665640004 453778666 /nfs/dbraw/zinc/77/86/66/453778666.db2.gz LJTCPWBRRDRCLK-LSDHHAIUSA-N 2 1 328.501 1.467 20 0 EDADMP COCC[C@@H]([NH3+])Cc1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000630596806 486668007 /nfs/dbraw/zinc/66/80/07/486668007.db2.gz SJZOUIZSSFEXTO-ZWKOTPCHSA-N 2 1 343.475 1.707 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000680012726 486695142 /nfs/dbraw/zinc/69/51/42/486695142.db2.gz VRUTXFILVZWQGQ-HKUYNNGSSA-N 2 1 345.487 1.688 20 0 EDADMP COC1CC[NH+](CCNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000683420263 486714356 /nfs/dbraw/zinc/71/43/56/486714356.db2.gz CYRNAELYJQXCED-MRXNPFEDSA-N 2 1 338.496 1.413 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000676293753 486723681 /nfs/dbraw/zinc/72/36/81/486723681.db2.gz LTYJXWCOASZFCO-OWCLPIDISA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000676293753 486723684 /nfs/dbraw/zinc/72/36/84/486723684.db2.gz LTYJXWCOASZFCO-OWCLPIDISA-N 2 1 326.485 1.125 20 0 EDADMP CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1=O ZINC000671757603 486742951 /nfs/dbraw/zinc/74/29/51/486742951.db2.gz NEJGEEGUNFAZSQ-LSPIHWNJSA-N 2 1 334.464 1.169 20 0 EDADMP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H](C)[NH3+])c2C1 ZINC000667559385 486845291 /nfs/dbraw/zinc/84/52/91/486845291.db2.gz LCQFPLHWGGHMDO-QWHCGFSZSA-N 2 1 332.448 1.449 20 0 EDADMP C[C@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000683909776 486862285 /nfs/dbraw/zinc/86/22/85/486862285.db2.gz DGTOPCQYUZAGLE-OXQOHEQNSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000683909776 486862287 /nfs/dbraw/zinc/86/22/87/486862287.db2.gz DGTOPCQYUZAGLE-OXQOHEQNSA-N 2 1 345.487 1.348 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](Cc2ccncc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000680888871 486886375 /nfs/dbraw/zinc/88/63/75/486886375.db2.gz FUUDCVIELOFUKA-KRWDZBQOSA-N 2 1 342.487 1.689 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000684119716 486952569 /nfs/dbraw/zinc/95/25/69/486952569.db2.gz XVOODTNRCZMKQD-KKUMJFAQSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000684119716 486952572 /nfs/dbraw/zinc/95/25/72/486952572.db2.gz XVOODTNRCZMKQD-KKUMJFAQSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000684119716 486952575 /nfs/dbraw/zinc/95/25/75/486952575.db2.gz XVOODTNRCZMKQD-KKUMJFAQSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000684119716 486952579 /nfs/dbraw/zinc/95/25/79/486952579.db2.gz XVOODTNRCZMKQD-KKUMJFAQSA-N 2 1 326.485 1.125 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667804629 486973473 /nfs/dbraw/zinc/97/34/73/486973473.db2.gz JHBFMODGQZBUQR-MRXNPFEDSA-N 2 1 331.464 1.969 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@@H]1C ZINC000677189723 487001989 /nfs/dbraw/zinc/00/19/89/487001989.db2.gz BWBPQUMPLJQLJU-FUHWJXTLSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@@H]1C ZINC000677189723 487001993 /nfs/dbraw/zinc/00/19/93/487001993.db2.gz BWBPQUMPLJQLJU-FUHWJXTLSA-N 2 1 330.476 1.846 20 0 EDADMP CC[N@@H+]1CCN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000677182323 486998924 /nfs/dbraw/zinc/99/89/24/486998924.db2.gz JAVPFDQVLLVJNV-VQIMIIECSA-N 2 1 331.460 1.176 20 0 EDADMP CC[N@H+]1CCN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000677182323 486998929 /nfs/dbraw/zinc/99/89/29/486998929.db2.gz JAVPFDQVLLVJNV-VQIMIIECSA-N 2 1 331.460 1.176 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000677182323 486998934 /nfs/dbraw/zinc/99/89/34/486998934.db2.gz JAVPFDQVLLVJNV-VQIMIIECSA-N 2 1 331.460 1.176 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000677182323 486998940 /nfs/dbraw/zinc/99/89/40/486998940.db2.gz JAVPFDQVLLVJNV-VQIMIIECSA-N 2 1 331.460 1.176 20 0 EDADMP CC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C[C@@H]1C ZINC000677189723 487001986 /nfs/dbraw/zinc/00/19/86/487001986.db2.gz BWBPQUMPLJQLJU-FUHWJXTLSA-N 2 1 330.476 1.846 20 0 EDADMP C[NH+](C)[C@H](CC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)c1ccccc1 ZINC000667990173 487049946 /nfs/dbraw/zinc/04/99/46/487049946.db2.gz SZJLCEPDWITBIC-QGZVFWFLSA-N 2 1 333.476 1.595 20 0 EDADMP NC(=O)C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000685474827 487281054 /nfs/dbraw/zinc/28/10/54/487281054.db2.gz LYUPINHBZSTRQB-QGZVFWFLSA-N 2 1 331.460 1.859 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000536047524 487355018 /nfs/dbraw/zinc/35/50/18/487355018.db2.gz JFQMNJJSPMWWJB-KRWDZBQOSA-N 2 1 325.416 1.401 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000536047524 487355023 /nfs/dbraw/zinc/35/50/23/487355023.db2.gz JFQMNJJSPMWWJB-KRWDZBQOSA-N 2 1 325.416 1.401 20 0 EDADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672900346 485492252 /nfs/dbraw/zinc/49/22/52/485492252.db2.gz ZRVDWMZPGQDDND-MSOLQXFVSA-N 2 1 336.524 1.489 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000672900346 485492261 /nfs/dbraw/zinc/49/22/61/485492261.db2.gz ZRVDWMZPGQDDND-MSOLQXFVSA-N 2 1 336.524 1.489 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000672900346 485492267 /nfs/dbraw/zinc/49/22/67/485492267.db2.gz ZRVDWMZPGQDDND-MSOLQXFVSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000119074318 485496471 /nfs/dbraw/zinc/49/64/71/485496471.db2.gz AZRSBALYRHFBKO-QXAKKESOSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000119074318 485496474 /nfs/dbraw/zinc/49/64/74/485496474.db2.gz AZRSBALYRHFBKO-QXAKKESOSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000119074318 485496479 /nfs/dbraw/zinc/49/64/79/485496479.db2.gz AZRSBALYRHFBKO-QXAKKESOSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000119074318 485496484 /nfs/dbraw/zinc/49/64/84/485496484.db2.gz AZRSBALYRHFBKO-QXAKKESOSA-N 2 1 345.487 1.734 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000324112391 485498226 /nfs/dbraw/zinc/49/82/26/485498226.db2.gz FEAPAHZCMAFICY-RDJZCZTQSA-N 2 1 337.489 1.498 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000324112391 485498236 /nfs/dbraw/zinc/49/82/36/485498236.db2.gz FEAPAHZCMAFICY-RDJZCZTQSA-N 2 1 337.489 1.498 20 0 EDADMP CC[C@H](NC(=O)NC[C@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669532980 485508964 /nfs/dbraw/zinc/50/89/64/485508964.db2.gz HUSVVBBEKLNJRV-BHYGNILZSA-N 2 1 334.464 1.312 20 0 EDADMP CC[C@H](NC(=O)NC[C@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669532980 485508970 /nfs/dbraw/zinc/50/89/70/485508970.db2.gz HUSVVBBEKLNJRV-BHYGNILZSA-N 2 1 334.464 1.312 20 0 EDADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000669538462 485520915 /nfs/dbraw/zinc/52/09/15/485520915.db2.gz RFQDDOGIWKDLSX-BMGDILEWSA-N 2 1 348.491 1.828 20 0 EDADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000669538462 485520925 /nfs/dbraw/zinc/52/09/25/485520925.db2.gz RFQDDOGIWKDLSX-BMGDILEWSA-N 2 1 348.491 1.828 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000669539459 485522506 /nfs/dbraw/zinc/52/25/06/485522506.db2.gz ASJRTKUADZZHBI-ARFHVFGLSA-N 2 1 326.485 1.112 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000669561110 485568698 /nfs/dbraw/zinc/56/86/98/485568698.db2.gz JPUQDRHWAUANON-JOCBIADPSA-N 2 1 330.476 1.947 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000669561090 485569330 /nfs/dbraw/zinc/56/93/30/485569330.db2.gz FYXVOBNSWSRUDW-LAQRGFTBSA-N 2 1 346.475 1.265 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000347076205 486010624 /nfs/dbraw/zinc/01/06/24/486010624.db2.gz VCVQNNCYNUHKGF-DDBAPUKQSA-N 2 1 335.492 1.428 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000669389707 486025684 /nfs/dbraw/zinc/02/56/84/486025684.db2.gz ZSBCGYDPVJNJSH-UKRRQHHQSA-N 2 1 336.505 1.936 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000669389707 486025693 /nfs/dbraw/zinc/02/56/93/486025693.db2.gz ZSBCGYDPVJNJSH-UKRRQHHQSA-N 2 1 336.505 1.936 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669405918 486077861 /nfs/dbraw/zinc/07/78/61/486077861.db2.gz OCQBOMHVFSBBSM-QKPAOTATSA-N 2 1 340.512 1.501 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000669420086 486138947 /nfs/dbraw/zinc/13/89/47/486138947.db2.gz AAMSUHSHWWNIOK-GBESFXJTSA-N 2 1 342.487 1.759 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000668750056 486149667 /nfs/dbraw/zinc/14/96/67/486149667.db2.gz RTPJWPDTCVZKCA-SFHVURJKSA-N 2 1 346.475 1.460 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000669473269 486227156 /nfs/dbraw/zinc/22/71/56/486227156.db2.gz ILLRBCZBNXWMDZ-SJORKVTESA-N 2 1 338.496 1.271 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)NCC1CC[NH2+]CC1 ZINC000669483049 486248449 /nfs/dbraw/zinc/24/84/49/486248449.db2.gz FTIKUIVGRZAPHN-GOSISDBHSA-N 2 1 330.476 1.950 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000458641739 486456180 /nfs/dbraw/zinc/45/61/80/486456180.db2.gz BYBHPMNVNLHYAA-MQVJKMGUSA-N 2 1 326.485 1.269 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000381602320 486645300 /nfs/dbraw/zinc/64/53/00/486645300.db2.gz LEVOBMUKQAHFRZ-ZBFHGGJFSA-N 2 1 341.377 1.919 20 0 EDADMP C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000133723006 491222330 /nfs/dbraw/zinc/22/23/30/491222330.db2.gz BWDWTCUIRLGPGD-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000133723006 491222331 /nfs/dbraw/zinc/22/23/31/491222331.db2.gz BWDWTCUIRLGPGD-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP COC1CC[NH+](CCNC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000080106383 491171383 /nfs/dbraw/zinc/17/13/83/491171383.db2.gz KFVYGPZFLNKPNZ-CQSZACIVSA-N 2 1 337.468 1.238 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000080700675 491173663 /nfs/dbraw/zinc/17/36/63/491173663.db2.gz IKWXKHNHZGROSL-ZWKOTPCHSA-N 2 1 334.508 1.844 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000080700675 491173666 /nfs/dbraw/zinc/17/36/66/491173666.db2.gz IKWXKHNHZGROSL-ZWKOTPCHSA-N 2 1 334.508 1.844 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000080700675 491173670 /nfs/dbraw/zinc/17/36/70/491173670.db2.gz IKWXKHNHZGROSL-ZWKOTPCHSA-N 2 1 334.508 1.844 20 0 EDADMP COc1ccccc1CC(=O)N1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000130112142 534007411 /nfs/dbraw/zinc/00/74/11/534007411.db2.gz VWLRIIHVLCEEPN-UHFFFAOYSA-N 2 1 345.487 1.913 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000112921661 517655103 /nfs/dbraw/zinc/65/51/03/517655103.db2.gz VOACYNOCMJCGNR-KRWDZBQOSA-N 2 1 346.519 1.752 20 0 EDADMP C[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[N@@H+]1CCc2sccc2C1 ZINC000188730089 524710662 /nfs/dbraw/zinc/71/06/62/524710662.db2.gz PBEKVZKPSFQBPQ-NSHDSACASA-N 2 1 345.472 1.294 20 0 EDADMP C[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[N@H+]1CCc2sccc2C1 ZINC000188730089 524710692 /nfs/dbraw/zinc/71/06/92/524710692.db2.gz PBEKVZKPSFQBPQ-NSHDSACASA-N 2 1 345.472 1.294 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000174416919 527735499 /nfs/dbraw/zinc/73/54/99/527735499.db2.gz OGFSQHYZYGUNCU-AEFFLSMTSA-N 2 1 333.476 1.734 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000174416919 527735502 /nfs/dbraw/zinc/73/55/02/527735502.db2.gz OGFSQHYZYGUNCU-AEFFLSMTSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000174416919 527735508 /nfs/dbraw/zinc/73/55/08/527735508.db2.gz OGFSQHYZYGUNCU-AEFFLSMTSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000174416919 527735511 /nfs/dbraw/zinc/73/55/11/527735511.db2.gz OGFSQHYZYGUNCU-AEFFLSMTSA-N 2 1 333.476 1.734 20 0 EDADMP CC1CC[NH+](CC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000183772426 528231141 /nfs/dbraw/zinc/23/11/41/528231141.db2.gz XZCXQHLOHXYDJZ-IBGZPJMESA-N 2 1 345.487 1.601 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)c1cccc(OC)c1 ZINC000163964985 528277606 /nfs/dbraw/zinc/27/76/06/528277606.db2.gz KBLAPISASOKLPQ-DLBZAZTESA-N 2 1 335.448 1.183 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174857911 528284416 /nfs/dbraw/zinc/28/44/16/528284416.db2.gz RXXFLPNVAOHBST-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000165342098 528373992 /nfs/dbraw/zinc/37/39/92/528373992.db2.gz OORYQONGLOMLMV-HZPDHXFCSA-N 2 1 328.416 1.716 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000159199455 529146735 /nfs/dbraw/zinc/14/67/35/529146735.db2.gz KYFBRTIGEXAKLT-KRWDZBQOSA-N 2 1 341.544 1.242 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000246431409 535119939 /nfs/dbraw/zinc/11/99/39/535119939.db2.gz MWYCMXIVSDBDPM-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CC1CC[NH+](CC(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)CC1 ZINC000331365277 535275113 /nfs/dbraw/zinc/27/51/13/535275113.db2.gz DAOQIFOJZBQBGS-GOSISDBHSA-N 2 1 331.460 1.924 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]1CCOC1 ZINC000345894855 535594425 /nfs/dbraw/zinc/59/44/25/535594425.db2.gz YMRKSCUKFASFQN-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCOC(C)C ZINC000348028935 535596027 /nfs/dbraw/zinc/59/60/27/535596027.db2.gz DJRWERUXZYRWHU-INIZCTEOSA-N 2 1 349.541 1.089 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCOC(C)C ZINC000348028935 535596029 /nfs/dbraw/zinc/59/60/29/535596029.db2.gz DJRWERUXZYRWHU-INIZCTEOSA-N 2 1 349.541 1.089 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)C1 ZINC000074680347 535765485 /nfs/dbraw/zinc/76/54/85/535765485.db2.gz AQMJXOBFNXGTPD-KRWDZBQOSA-N 2 1 335.448 1.595 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)C1 ZINC000074680347 535765487 /nfs/dbraw/zinc/76/54/87/535765487.db2.gz AQMJXOBFNXGTPD-KRWDZBQOSA-N 2 1 335.448 1.595 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CCC[NH+](C)[C@@H]2C)CC[N@H+]1CCOC ZINC000345733819 535833994 /nfs/dbraw/zinc/83/39/94/535833994.db2.gz CHOZASPNPQHKQR-OAGGEKHMSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC[NH+]1CCOC ZINC000345733819 535834001 /nfs/dbraw/zinc/83/40/01/535834001.db2.gz CHOZASPNPQHKQR-OAGGEKHMSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC[NH+]1CCOC ZINC000345733819 535834003 /nfs/dbraw/zinc/83/40/03/535834003.db2.gz CHOZASPNPQHKQR-OAGGEKHMSA-N 2 1 326.485 1.221 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)cn1 ZINC000333849660 536054907 /nfs/dbraw/zinc/05/49/07/536054907.db2.gz PUSWAPMVMJBJDM-WBVHZDCISA-N 2 1 348.495 1.261 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)cn1 ZINC000333849660 536054913 /nfs/dbraw/zinc/05/49/13/536054913.db2.gz PUSWAPMVMJBJDM-WBVHZDCISA-N 2 1 348.495 1.261 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271474489 536075339 /nfs/dbraw/zinc/07/53/39/536075339.db2.gz ZTMNLTDUKMDAAC-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CCc1cc(OC)ccc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000261959801 536156520 /nfs/dbraw/zinc/15/65/20/536156520.db2.gz PCPNYBGVSDTPAU-GOSISDBHSA-N 2 1 345.487 1.901 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000262461377 536386090 /nfs/dbraw/zinc/38/60/90/536386090.db2.gz XFNDVYAUXSAGJV-SJORKVTESA-N 2 1 327.432 1.071 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000262461377 536386092 /nfs/dbraw/zinc/38/60/92/536386092.db2.gz XFNDVYAUXSAGJV-SJORKVTESA-N 2 1 327.432 1.071 20 0 EDADMP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262006895 536627918 /nfs/dbraw/zinc/62/79/18/536627918.db2.gz VDAAYLPTOYXKQC-GUDVDZBRSA-N 2 1 334.460 1.959 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000740884268 579388190 /nfs/dbraw/zinc/38/81/90/579388190.db2.gz SXNKOVLWMGEKCD-GDBMZVCRSA-N 2 1 339.505 1.681 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000740884268 579388192 /nfs/dbraw/zinc/38/81/92/579388192.db2.gz SXNKOVLWMGEKCD-GDBMZVCRSA-N 2 1 339.505 1.681 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000740884268 579388194 /nfs/dbraw/zinc/38/81/94/579388194.db2.gz SXNKOVLWMGEKCD-GDBMZVCRSA-N 2 1 339.505 1.681 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000729606750 578584519 /nfs/dbraw/zinc/58/45/19/578584519.db2.gz PZNQCFTUTNNKOJ-IAGOWNOFSA-N 2 1 338.496 1.271 20 0 EDADMP CC(C)[C@H](CNC(=S)NCC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000760467056 580031399 /nfs/dbraw/zinc/03/13/99/580031399.db2.gz OPLAWLNFPUAQMO-INIZCTEOSA-N 2 1 342.553 1.149 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734277540 578804728 /nfs/dbraw/zinc/80/47/28/578804728.db2.gz XAKWKKXBEMPPOD-KRWDZBQOSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000735332293 578876936 /nfs/dbraw/zinc/87/69/36/578876936.db2.gz RZDJSGJLXOGJDK-MJGOQNOKSA-N 2 1 347.503 1.985 20 0 EDADMP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000735332293 578876937 /nfs/dbraw/zinc/87/69/37/578876937.db2.gz RZDJSGJLXOGJDK-MJGOQNOKSA-N 2 1 347.503 1.985 20 0 EDADMP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736141610 578956789 /nfs/dbraw/zinc/95/67/89/578956789.db2.gz AADKMLQDMRUCGB-KBPBESRZSA-N 2 1 344.463 1.705 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736141610 578956790 /nfs/dbraw/zinc/95/67/90/578956790.db2.gz AADKMLQDMRUCGB-KBPBESRZSA-N 2 1 344.463 1.705 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000736227872 578966096 /nfs/dbraw/zinc/96/60/96/578966096.db2.gz AOVWQMUWFSZZFK-MRXNPFEDSA-N 2 1 334.464 1.589 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000746248452 579578616 /nfs/dbraw/zinc/57/86/16/579578616.db2.gz RHZQZLBGHMSPBE-KRWDZBQOSA-N 2 1 335.448 1.311 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000746248452 579578617 /nfs/dbraw/zinc/57/86/17/579578617.db2.gz RHZQZLBGHMSPBE-KRWDZBQOSA-N 2 1 335.448 1.311 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000746676178 579606203 /nfs/dbraw/zinc/60/62/03/579606203.db2.gz UCKSBXHHJKAJPB-KRWDZBQOSA-N 2 1 335.448 1.763 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000746676178 579606206 /nfs/dbraw/zinc/60/62/06/579606206.db2.gz UCKSBXHHJKAJPB-KRWDZBQOSA-N 2 1 335.448 1.763 20 0 EDADMP O=C1N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCC12CCOCC2 ZINC000777534441 580443754 /nfs/dbraw/zinc/44/37/54/580443754.db2.gz YQDLCKRKDXJISO-UHFFFAOYSA-N 2 1 335.492 1.781 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000749546251 579730019 /nfs/dbraw/zinc/73/00/19/579730019.db2.gz BKVKEKWYJVRUIV-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP Cc1cc(N2CCC(NC(=S)NCC[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000749829689 579741472 /nfs/dbraw/zinc/74/14/72/579741472.db2.gz RVFFMSXCQNWNNT-UHFFFAOYSA-N 2 1 336.509 1.088 20 0 EDADMP O=C1[C@@H]2CCCCC[C@@H]2N1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000749938364 579744506 /nfs/dbraw/zinc/74/45/06/579744506.db2.gz JYIURPIBHWMUFC-MSOLQXFVSA-N 2 1 335.492 1.779 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000750853791 579783924 /nfs/dbraw/zinc/78/39/24/579783924.db2.gz VMBTUTMLWLNZQY-OAHLLOKOSA-N 2 1 337.489 1.724 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=S)NC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000758271887 579978737 /nfs/dbraw/zinc/97/87/37/579978737.db2.gz HNOKLGICQIOMLE-IAGOWNOFSA-N 2 1 332.517 1.990 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000759157961 579999841 /nfs/dbraw/zinc/99/98/41/579999841.db2.gz REXGYEDCCPNGCH-UHFFFAOYSA-N 2 1 342.528 1.907 20 0 EDADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000762789445 580083382 /nfs/dbraw/zinc/08/33/82/580083382.db2.gz VOVONMZNWBHRQA-NHYWBVRUSA-N 2 1 326.828 1.108 20 0 EDADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000762789445 580083383 /nfs/dbraw/zinc/08/33/83/580083383.db2.gz VOVONMZNWBHRQA-NHYWBVRUSA-N 2 1 326.828 1.108 20 0 EDADMP Cc1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cnc1Cl ZINC000769161266 580230167 /nfs/dbraw/zinc/23/01/67/580230167.db2.gz PAELBLXVVLLJNK-UHFFFAOYSA-N 2 1 338.883 1.933 20 0 EDADMP CN(C(=O)CC[NH+]1CCOCC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000779226237 580481605 /nfs/dbraw/zinc/48/16/05/580481605.db2.gz PWMOPBPQXSNNTP-UHFFFAOYSA-N 2 1 325.497 1.822 20 0 EDADMP Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000779604294 580491079 /nfs/dbraw/zinc/49/10/79/580491079.db2.gz VTPIHEAHOYGIHL-IBGZPJMESA-N 2 1 348.487 1.496 20 0 EDADMP Cc1ccc(NC(=O)CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)c(C)c1 ZINC000779648736 580492681 /nfs/dbraw/zinc/49/26/81/580492681.db2.gz GBXXBUMRDQDGPV-INIZCTEOSA-N 2 1 348.447 1.850 20 0 EDADMP Cc1ccc(NC(=O)CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)c(C)c1 ZINC000779648736 580492682 /nfs/dbraw/zinc/49/26/82/580492682.db2.gz GBXXBUMRDQDGPV-INIZCTEOSA-N 2 1 348.447 1.850 20 0 EDADMP Cc1cccc(C)c1NC(=O)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779648764 580492758 /nfs/dbraw/zinc/49/27/58/580492758.db2.gz GNPKCIGIQFOTSH-HNNXBMFYSA-N 2 1 348.447 1.850 20 0 EDADMP Cc1cccc(C)c1NC(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779648764 580492759 /nfs/dbraw/zinc/49/27/59/580492759.db2.gz GNPKCIGIQFOTSH-HNNXBMFYSA-N 2 1 348.447 1.850 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccccc1CO ZINC000779764510 580496582 /nfs/dbraw/zinc/49/65/82/580496582.db2.gz QFRNMRSMQYSEEI-IBGZPJMESA-N 2 1 347.503 1.596 20 0 EDADMP C[NH+](C)C1(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CCC1 ZINC000780067926 580510863 /nfs/dbraw/zinc/51/08/63/580510863.db2.gz CJWGJBRAFOAYGZ-KRWDZBQOSA-N 2 1 330.476 1.846 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000780208181 580516055 /nfs/dbraw/zinc/51/60/55/580516055.db2.gz JUGYPARYPSBCJK-CABCVRRESA-N 2 1 342.553 1.122 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000780208181 580516056 /nfs/dbraw/zinc/51/60/56/580516056.db2.gz JUGYPARYPSBCJK-CABCVRRESA-N 2 1 342.553 1.122 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000780208181 580516057 /nfs/dbraw/zinc/51/60/57/580516057.db2.gz JUGYPARYPSBCJK-CABCVRRESA-N 2 1 342.553 1.122 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000783920776 580608411 /nfs/dbraw/zinc/60/84/11/580608411.db2.gz OUMCYDGELIINPA-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000783920776 580608412 /nfs/dbraw/zinc/60/84/12/580608412.db2.gz OUMCYDGELIINPA-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000783920776 580608413 /nfs/dbraw/zinc/60/84/13/580608413.db2.gz OUMCYDGELIINPA-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794532722 580896618 /nfs/dbraw/zinc/89/66/18/580896618.db2.gz HYYYKACOGRKETO-LSDHHAIUSA-N 2 1 329.485 1.678 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000794802015 580906132 /nfs/dbraw/zinc/90/61/32/580906132.db2.gz CREHLDWXTCKIRX-MJGOQNOKSA-N 2 1 332.444 1.260 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000794802015 580906133 /nfs/dbraw/zinc/90/61/33/580906133.db2.gz CREHLDWXTCKIRX-MJGOQNOKSA-N 2 1 332.444 1.260 20 0 EDADMP C[NH+](C)Cc1cnc(CNC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)s1 ZINC000796320434 580950889 /nfs/dbraw/zinc/95/08/89/580950889.db2.gz OYTFVALHKJOXPH-JKSUJKDBSA-N 2 1 338.521 1.672 20 0 EDADMP COCC[NH+](CCOC)C1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000796515737 580955535 /nfs/dbraw/zinc/95/55/35/580955535.db2.gz MCQLWRWBWQMUPL-UHFFFAOYSA-N 2 1 328.497 1.741 20 0 EDADMP COCCC1(NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH2+]CC1 ZINC000891857449 590658048 /nfs/dbraw/zinc/65/80/48/590658048.db2.gz BTZNMUBRLAVAFV-MRXNPFEDSA-N 2 1 338.496 1.461 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891917081 590687580 /nfs/dbraw/zinc/68/75/80/590687580.db2.gz GJCRIHMAGZHNNU-INIZCTEOSA-N 2 1 338.496 1.320 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)CC[NH3+])C1 ZINC000892053818 590775466 /nfs/dbraw/zinc/77/54/66/590775466.db2.gz AMEDVQGDQLEWLO-WBVHZDCISA-N 2 1 334.464 1.232 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C)CC[NH3+])C1 ZINC000892053818 590775467 /nfs/dbraw/zinc/77/54/67/590775467.db2.gz AMEDVQGDQLEWLO-WBVHZDCISA-N 2 1 334.464 1.232 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000892070406 590785435 /nfs/dbraw/zinc/78/54/35/590785435.db2.gz FZCUDHMCMWUEAO-INIZCTEOSA-N 2 1 328.460 1.995 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)[C@@H]2C1 ZINC000892131435 590814403 /nfs/dbraw/zinc/81/44/03/590814403.db2.gz ZZEPTEBDPAHNGO-SJLPKXTDSA-N 2 1 343.475 1.392 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cn1 ZINC000892196160 590859573 /nfs/dbraw/zinc/85/95/73/590859573.db2.gz CLRUNNUQULZLND-CVEARBPZSA-N 2 1 340.431 1.421 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cn1 ZINC000892196160 590859577 /nfs/dbraw/zinc/85/95/77/590859577.db2.gz CLRUNNUQULZLND-CVEARBPZSA-N 2 1 340.431 1.421 20 0 EDADMP C[NH2+]CCOCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000892280546 590910048 /nfs/dbraw/zinc/91/00/48/590910048.db2.gz BPWADTFRWMERTM-WMZOPIPTSA-N 2 1 348.491 1.290 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NCC[C@H]([NH3+])Cc3ccccc3)C2)C1 ZINC000892407699 591015128 /nfs/dbraw/zinc/01/51/28/591015128.db2.gz CRAHPMMEGCRDEY-PKOBYXMFSA-N 2 1 330.476 1.684 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC[N@H+]1C ZINC000892412931 591017733 /nfs/dbraw/zinc/01/77/33/591017733.db2.gz HOPDGYNRAUZNSQ-ZWKOTPCHSA-N 2 1 332.492 1.928 20 0 EDADMP CC(=O)OC[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000892422338 591021865 /nfs/dbraw/zinc/02/18/65/591021865.db2.gz ZBYLPSWJTDJPIO-DZGCQCFKSA-N 2 1 325.478 1.578 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000892479721 591041503 /nfs/dbraw/zinc/04/15/03/591041503.db2.gz LQFYPITYOQQSDJ-MRXNPFEDSA-N 2 1 348.491 1.768 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)NC2(C[NH3+])CCCCC2)CC1 ZINC000891356790 591057640 /nfs/dbraw/zinc/05/76/40/591057640.db2.gz RHXIPFJDBYGYCH-UHFFFAOYSA-N 2 1 339.528 1.365 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N(C)CCOCC[NH3+])C2)cc1 ZINC000892529861 591059858 /nfs/dbraw/zinc/05/98/58/591059858.db2.gz DAVAZONAIBYFEK-KRWDZBQOSA-N 2 1 334.464 1.186 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N3CC[C@](C)(C[NH3+])C3)C2)cc1 ZINC000892530691 591060692 /nfs/dbraw/zinc/06/06/92/591060692.db2.gz VDIFFQJZEJHQKC-IEBWSBKVSA-N 2 1 330.476 1.950 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC3(C[NH3+])CCOCC3)C2)cc1 ZINC000892530168 591060987 /nfs/dbraw/zinc/06/09/87/591060987.db2.gz JWLMHTBNLAPNIY-QGZVFWFLSA-N 2 1 346.475 1.376 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1C(F)(F)F ZINC000891364817 591062271 /nfs/dbraw/zinc/06/22/71/591062271.db2.gz YKMWXSWVRWDUGW-NDBYEHHHSA-N 2 1 334.386 1.392 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000892537198 591064846 /nfs/dbraw/zinc/06/48/46/591064846.db2.gz ZPMAWYCDDDXLCU-QZTJIDSGSA-N 2 1 346.475 1.329 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000892537198 591064852 /nfs/dbraw/zinc/06/48/52/591064852.db2.gz ZPMAWYCDDDXLCU-QZTJIDSGSA-N 2 1 346.475 1.329 20 0 EDADMP CC[NH+](CC)CCNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000891412878 591070276 /nfs/dbraw/zinc/07/02/76/591070276.db2.gz GQWFLPSFRHGENH-MSOLQXFVSA-N 2 1 332.492 1.973 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891540183 591117191 /nfs/dbraw/zinc/11/71/91/591117191.db2.gz MEEGQRCWGFNOBZ-YNEHKIRRSA-N 2 1 336.402 1.639 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCCCC[C@H]([NH3+])C3)C2)CC1 ZINC000891561132 591125982 /nfs/dbraw/zinc/12/59/82/591125982.db2.gz URVPGOSCMWQUBG-HOTGVXAUSA-N 2 1 337.512 1.068 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCCCC[C@H]([NH3+])C3)C2)CC1 ZINC000891561132 591125983 /nfs/dbraw/zinc/12/59/83/591125983.db2.gz URVPGOSCMWQUBG-HOTGVXAUSA-N 2 1 337.512 1.068 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000891565640 591128029 /nfs/dbraw/zinc/12/80/29/591128029.db2.gz QUTNLHQLTRDALE-BRWVUGGUSA-N 2 1 340.512 1.646 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000891563176 591129752 /nfs/dbraw/zinc/12/97/52/591129752.db2.gz ADFSBDUXASQHEH-WCVJEAGWSA-N 2 1 326.485 1.160 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCOCC1 ZINC000891584126 591135453 /nfs/dbraw/zinc/13/54/53/591135453.db2.gz QHOYXBKRDAQSOO-CABCVRRESA-N 2 1 326.485 1.032 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891642846 591164358 /nfs/dbraw/zinc/16/43/58/591164358.db2.gz AALSZADIGDBCBT-DDBAPUKQSA-N 2 1 330.476 1.934 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]21 ZINC000892804298 591183605 /nfs/dbraw/zinc/18/36/05/591183605.db2.gz SFLPBPUDQRHZCN-QYZOEREBSA-N 2 1 342.487 1.827 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000891697584 591189109 /nfs/dbraw/zinc/18/91/09/591189109.db2.gz GXZHXRFMSKBPKI-GJZGRUSLSA-N 2 1 346.466 1.898 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1(F)F ZINC000894094252 591191399 /nfs/dbraw/zinc/19/13/99/591191399.db2.gz KLHDRMVYDUAXLG-MHEUCROKSA-N 2 1 328.403 1.989 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1(F)F ZINC000894094252 591191401 /nfs/dbraw/zinc/19/14/01/591191401.db2.gz KLHDRMVYDUAXLG-MHEUCROKSA-N 2 1 328.403 1.989 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1(F)F ZINC000894094252 591191403 /nfs/dbraw/zinc/19/14/03/591191403.db2.gz KLHDRMVYDUAXLG-MHEUCROKSA-N 2 1 328.403 1.989 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1(F)F ZINC000894094252 591191405 /nfs/dbraw/zinc/19/14/05/591191405.db2.gz KLHDRMVYDUAXLG-MHEUCROKSA-N 2 1 328.403 1.989 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)NCc2cc(N)cc[nH+]2)[C@@H]1c1ccccc1 ZINC000891723676 591198939 /nfs/dbraw/zinc/19/89/39/591198939.db2.gz SWENUASXCDQUNJ-SJORKVTESA-N 2 1 325.416 1.908 20 0 EDADMP C[N@H+]1CCN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CCC1(C)C ZINC000892877660 591212657 /nfs/dbraw/zinc/21/26/57/591212657.db2.gz HVFDHZOSRZLIHZ-UHFFFAOYSA-N 2 1 337.493 1.496 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000892883373 591215854 /nfs/dbraw/zinc/21/58/54/591215854.db2.gz BWBOWISZZQQCJA-OAHLLOKOSA-N 2 1 340.512 1.517 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCC(C)([NH+]4CCC4)CC3)cn2)CC1 ZINC000895672470 591248814 /nfs/dbraw/zinc/24/88/14/591248814.db2.gz ZPBMDCBIIMQXRP-UHFFFAOYSA-N 2 1 344.507 1.289 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)NC[C@H]3CCC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000892999120 591250472 /nfs/dbraw/zinc/25/04/72/591250472.db2.gz AQDGEAALYSSBMJ-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000892999120 591250475 /nfs/dbraw/zinc/25/04/75/591250475.db2.gz AQDGEAALYSSBMJ-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000892999120 591250478 /nfs/dbraw/zinc/25/04/78/591250478.db2.gz AQDGEAALYSSBMJ-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@H]1CNc1ncnc2sc(NC[C@@H]3CC[N@@H+]3C)nc21 ZINC000895769243 591269136 /nfs/dbraw/zinc/26/91/36/591269136.db2.gz PCLPTWYPQZNBNY-QWRGUYRKSA-N 2 1 333.465 1.318 20 0 EDADMP C[NH+]1CC[C@H]1CNc1nc2c(ncnc2NC[C@@H]2CC[N@@H+]2C)s1 ZINC000895769243 591269137 /nfs/dbraw/zinc/26/91/37/591269137.db2.gz PCLPTWYPQZNBNY-QWRGUYRKSA-N 2 1 333.465 1.318 20 0 EDADMP C[NH+]1CC[C@H]1CNc1nc2c(ncnc2NC[C@@H]2CC[N@H+]2C)s1 ZINC000895769243 591269138 /nfs/dbraw/zinc/26/91/38/591269138.db2.gz PCLPTWYPQZNBNY-QWRGUYRKSA-N 2 1 333.465 1.318 20 0 EDADMP CN1CCC[C@@H]1c1cc(C(=O)N2CC(Oc3ccncc3)C2)[nH]n1 ZINC000896132122 591354352 /nfs/dbraw/zinc/35/43/52/591354352.db2.gz KXYAZZVNYSRVMV-MRXNPFEDSA-N 2 1 327.388 1.475 20 0 EDADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CC(Oc3ccncc3)C2)n[nH]1 ZINC000896132122 591354357 /nfs/dbraw/zinc/35/43/57/591354357.db2.gz KXYAZZVNYSRVMV-MRXNPFEDSA-N 2 1 327.388 1.475 20 0 EDADMP C[C@@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000896291543 591416990 /nfs/dbraw/zinc/41/69/90/591416990.db2.gz CPYQCKLIZUGWHR-YJBOKZPZSA-N 2 1 331.460 1.344 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000897549239 591547640 /nfs/dbraw/zinc/54/76/40/591547640.db2.gz WNHUNCQHFBRZRT-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897549239 591547643 /nfs/dbraw/zinc/54/76/43/591547643.db2.gz WNHUNCQHFBRZRT-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000896604850 591549897 /nfs/dbraw/zinc/54/98/97/591549897.db2.gz ZAYHKBGLOSFDQX-KBAYOESNSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCCN1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000896604850 591549899 /nfs/dbraw/zinc/54/98/99/591549899.db2.gz ZAYHKBGLOSFDQX-KBAYOESNSA-N 2 1 331.460 1.486 20 0 EDADMP COC(=O)[C@H]1[C@@H](C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1(F)F ZINC000895083902 591574745 /nfs/dbraw/zinc/57/47/45/591574745.db2.gz CJVYBYBWNPQBCK-QKPAOTATSA-N 2 1 338.398 1.976 20 0 EDADMP CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000896734069 591597501 /nfs/dbraw/zinc/59/75/01/591597501.db2.gz FORCAHVQXQTLMY-RHSMWYFYSA-N 2 1 333.480 1.980 20 0 EDADMP CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000896734069 591597502 /nfs/dbraw/zinc/59/75/02/591597502.db2.gz FORCAHVQXQTLMY-RHSMWYFYSA-N 2 1 333.480 1.980 20 0 EDADMP Cc1cn(C(C)(C)C(=O)N2CCC[C@H](CN3CCOCC3)C2)cn1 ZINC000897678226 591617134 /nfs/dbraw/zinc/61/71/34/591617134.db2.gz HVGZMCSICDJYAI-MRXNPFEDSA-N 2 1 334.464 1.497 20 0 EDADMP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)CC1 ZINC000897085236 591733292 /nfs/dbraw/zinc/73/32/92/591733292.db2.gz KBVSRVVQRZFYGU-FQEVSTJZSA-N 2 1 348.535 1.489 20 0 EDADMP Cn1cc([C@@]2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCCO2)cn1 ZINC000898052680 591755777 /nfs/dbraw/zinc/75/57/77/591755777.db2.gz KDUVTZBEGRCWMD-OALUTQOASA-N 2 1 348.491 1.659 20 0 EDADMP C[C@@H](C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000898163203 591808518 /nfs/dbraw/zinc/80/85/18/591808518.db2.gz DOSJRBVXCVXNEJ-ZYSHUDEJSA-N 2 1 327.472 1.843 20 0 EDADMP C[C@@H](C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000898163203 591808522 /nfs/dbraw/zinc/80/85/22/591808522.db2.gz DOSJRBVXCVXNEJ-ZYSHUDEJSA-N 2 1 327.472 1.843 20 0 EDADMP C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000898163203 591808523 /nfs/dbraw/zinc/80/85/23/591808523.db2.gz DOSJRBVXCVXNEJ-ZYSHUDEJSA-N 2 1 327.472 1.843 20 0 EDADMP C[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000898163203 591808527 /nfs/dbraw/zinc/80/85/27/591808527.db2.gz DOSJRBVXCVXNEJ-ZYSHUDEJSA-N 2 1 327.472 1.843 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NCc2ccccc2C[NH+](C)C)CC1 ZINC000899989750 591858432 /nfs/dbraw/zinc/85/84/32/591858432.db2.gz AZNKUPQOIWIJAH-UHFFFAOYSA-N 2 1 346.519 1.781 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900219599 591946984 /nfs/dbraw/zinc/94/69/84/591946984.db2.gz ZNYZACLSLMFSKW-JFIYKMOQSA-N 2 1 325.497 1.317 20 0 EDADMP c1cc(NCCCCCN2CC[NH2+]CC2)nc(N2CCCCC2)[nH+]1 ZINC000900358264 591994275 /nfs/dbraw/zinc/99/42/75/591994275.db2.gz OLMKHHJXNAQJQW-UHFFFAOYSA-N 2 1 332.496 1.954 20 0 EDADMP Cc1ccc([C@H](CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000900435085 592017587 /nfs/dbraw/zinc/01/75/87/592017587.db2.gz CWWDPYSTLQIVEA-BJLQDIEVSA-N 2 1 345.487 1.703 20 0 EDADMP Cc1ccc([C@H](CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)[NH+]2CCCC2)cc1 ZINC000900435085 592017589 /nfs/dbraw/zinc/01/75/89/592017589.db2.gz CWWDPYSTLQIVEA-BJLQDIEVSA-N 2 1 345.487 1.703 20 0 EDADMP C[C@@H]1CN(C)C[C@@H](C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)O1 ZINC000902699867 592044707 /nfs/dbraw/zinc/04/47/07/592044707.db2.gz UTNPLUPILCBYAG-KYJSFNMBSA-N 2 1 329.444 1.717 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N2C[C@H]3CCC[NH+]3Cc3ccccc32)O1 ZINC000902699867 592044709 /nfs/dbraw/zinc/04/47/09/592044709.db2.gz UTNPLUPILCBYAG-KYJSFNMBSA-N 2 1 329.444 1.717 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N2C[C@H]3CCC[NH+]3Cc3ccccc32)O1 ZINC000902699867 592044711 /nfs/dbraw/zinc/04/47/11/592044711.db2.gz UTNPLUPILCBYAG-KYJSFNMBSA-N 2 1 329.444 1.717 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H](C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)O1 ZINC000902699867 592044716 /nfs/dbraw/zinc/04/47/16/592044716.db2.gz UTNPLUPILCBYAG-KYJSFNMBSA-N 2 1 329.444 1.717 20 0 EDADMP Cc1[nH+]ccn1CCCCn1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900572164 592055635 /nfs/dbraw/zinc/05/56/35/592055635.db2.gz ZVDCOSPPHOWCEZ-UHFFFAOYSA-N 2 1 331.468 1.447 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(CC[NH+](C)C)CC(C)C)C1 ZINC000900587606 592060461 /nfs/dbraw/zinc/06/04/61/592060461.db2.gz YPYSIMFWGSXBSS-INIZCTEOSA-N 2 1 341.496 1.308 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CC[NH+](C)C)CC(C)C)C1 ZINC000900587606 592060463 /nfs/dbraw/zinc/06/04/63/592060463.db2.gz YPYSIMFWGSXBSS-INIZCTEOSA-N 2 1 341.496 1.308 20 0 EDADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000900598315 592064068 /nfs/dbraw/zinc/06/40/68/592064068.db2.gz MPJVENLEPNCTPX-SFHVURJKSA-N 2 1 347.507 1.771 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(F)cc2N)CC1 ZINC000902816679 592070806 /nfs/dbraw/zinc/07/08/06/592070806.db2.gz XSWQVVGWRBVMGY-UHFFFAOYSA-N 2 1 329.379 1.807 20 0 EDADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000902927525 592085491 /nfs/dbraw/zinc/08/54/91/592085491.db2.gz HZZIFTSVOATSOJ-MAUKXSAKSA-N 2 1 345.491 1.961 20 0 EDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903076018 592115834 /nfs/dbraw/zinc/11/58/34/592115834.db2.gz IOWITUHJTSEMLZ-CQSZACIVSA-N 2 1 341.496 1.869 20 0 EDADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cnn(CC2CCC2)c1 ZINC000903091083 592118323 /nfs/dbraw/zinc/11/83/23/592118323.db2.gz NBUVFCQNSXNGMX-RDJZCZTQSA-N 2 1 347.507 1.921 20 0 EDADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cnn(CC2CCC2)c1 ZINC000903091083 592118326 /nfs/dbraw/zinc/11/83/26/592118326.db2.gz NBUVFCQNSXNGMX-RDJZCZTQSA-N 2 1 347.507 1.921 20 0 EDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000903093514 592122033 /nfs/dbraw/zinc/12/20/33/592122033.db2.gz RZQGANYWMVZQOI-LSDHHAIUSA-N 2 1 343.512 1.924 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[NH+](C)CCN1C ZINC000900809937 592131671 /nfs/dbraw/zinc/13/16/71/592131671.db2.gz FPEGVTJTIJLPHB-KANFNMMFSA-N 2 1 344.503 1.082 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1C[N@H+](C)CCN1C ZINC000900809937 592131674 /nfs/dbraw/zinc/13/16/74/592131674.db2.gz FPEGVTJTIJLPHB-KANFNMMFSA-N 2 1 344.503 1.082 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900809937 592131675 /nfs/dbraw/zinc/13/16/75/592131675.db2.gz FPEGVTJTIJLPHB-KANFNMMFSA-N 2 1 344.503 1.082 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000900825753 592139056 /nfs/dbraw/zinc/13/90/56/592139056.db2.gz BRVWNOLLNTZGPT-QGZVFWFLSA-N 2 1 340.556 1.885 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900900972 592165086 /nfs/dbraw/zinc/16/50/86/592165086.db2.gz NLFXCJFUVSFSCB-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000900900972 592165089 /nfs/dbraw/zinc/16/50/89/592165089.db2.gz NLFXCJFUVSFSCB-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000900900972 592165091 /nfs/dbraw/zinc/16/50/91/592165091.db2.gz NLFXCJFUVSFSCB-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CC(F)(F)CCC[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000903459400 592171668 /nfs/dbraw/zinc/17/16/68/592171668.db2.gz IGIJYXKVYHBOOW-ZIAGYGMSSA-N 2 1 330.423 1.642 20 0 EDADMP COc1ccc(CN2CCC[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC2=O)cc1 ZINC000903457431 592174094 /nfs/dbraw/zinc/17/40/94/592174094.db2.gz SFQHKNBUGZFNFD-SJORKVTESA-N 2 1 331.460 1.857 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C[C@H]1CC[NH3+] ZINC000903498901 592178924 /nfs/dbraw/zinc/17/89/24/592178924.db2.gz NTIAHHXRMKLALW-NVXWUHKLSA-N 2 1 339.505 1.365 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000900958502 592185296 /nfs/dbraw/zinc/18/52/96/592185296.db2.gz JMRYSIWRWURZFD-ROUUACIJSA-N 2 1 338.540 1.782 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@H]1CC[NH3+] ZINC000903496640 592187537 /nfs/dbraw/zinc/18/75/37/592187537.db2.gz WNGAGTSNQPDYRJ-NVXWUHKLSA-N 2 1 341.459 1.405 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000900981501 592189120 /nfs/dbraw/zinc/18/91/20/592189120.db2.gz SQVSBNBDZZEZKI-XHSDSOJGSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000900981501 592189122 /nfs/dbraw/zinc/18/91/22/592189122.db2.gz SQVSBNBDZZEZKI-XHSDSOJGSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000900981501 592189123 /nfs/dbraw/zinc/18/91/23/592189123.db2.gz SQVSBNBDZZEZKI-XHSDSOJGSA-N 2 1 325.497 1.865 20 0 EDADMP CCc1cc(=O)[nH]c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000903508741 592189355 /nfs/dbraw/zinc/18/93/55/592189355.db2.gz SXZDQPXVARRETB-IYBDPMFKSA-N 2 1 331.464 1.145 20 0 EDADMP NC(=O)c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903509558 592189819 /nfs/dbraw/zinc/18/98/19/592189819.db2.gz JCFHHVIQJSATCY-HDICACEKSA-N 2 1 328.460 1.186 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@H+]1C ZINC000906663055 592245316 /nfs/dbraw/zinc/24/53/16/592245316.db2.gz CMLUICFJCMLMHK-BBRMVZONSA-N 2 1 346.475 1.760 20 0 EDADMP C[C@@]1(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CCC[NH2+]C1 ZINC000904377737 592245453 /nfs/dbraw/zinc/24/54/53/592245453.db2.gz XJWPBKABNOMEQV-HSALFYBXSA-N 2 1 329.488 1.961 20 0 EDADMP C[C@@]1(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CCC[NH2+]C1 ZINC000904377737 592245456 /nfs/dbraw/zinc/24/54/56/592245456.db2.gz XJWPBKABNOMEQV-HSALFYBXSA-N 2 1 329.488 1.961 20 0 EDADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)n[nH]1 ZINC000901135685 592253955 /nfs/dbraw/zinc/25/39/55/592253955.db2.gz QHHOZASAKNLGGR-IAOVAPTHSA-N 2 1 331.464 1.733 20 0 EDADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)n[nH]1 ZINC000901135685 592253959 /nfs/dbraw/zinc/25/39/59/592253959.db2.gz QHHOZASAKNLGGR-IAOVAPTHSA-N 2 1 331.464 1.733 20 0 EDADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)n[nH]1 ZINC000901135685 592253963 /nfs/dbraw/zinc/25/39/63/592253963.db2.gz QHHOZASAKNLGGR-IAOVAPTHSA-N 2 1 331.464 1.733 20 0 EDADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n[nH]1 ZINC000901135685 592253967 /nfs/dbraw/zinc/25/39/67/592253967.db2.gz QHHOZASAKNLGGR-IAOVAPTHSA-N 2 1 331.464 1.733 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904505005 592273864 /nfs/dbraw/zinc/27/38/64/592273864.db2.gz VRRXOTNHCOFSCN-MSOLQXFVSA-N 2 1 344.459 1.395 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000904515195 592276093 /nfs/dbraw/zinc/27/60/93/592276093.db2.gz IYASBLILSHWUGJ-IRXDYDNUSA-N 2 1 332.448 1.469 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733509 592296991 /nfs/dbraw/zinc/29/69/91/592296991.db2.gz LMDKNDNUCXEOJN-KRWDZBQOSA-N 2 1 331.460 1.393 20 0 EDADMP C[N@H+](CC(=O)NCc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733509 592296993 /nfs/dbraw/zinc/29/69/93/592296993.db2.gz LMDKNDNUCXEOJN-KRWDZBQOSA-N 2 1 331.460 1.393 20 0 EDADMP CC[C@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1CCOC ZINC000903739912 592302018 /nfs/dbraw/zinc/30/20/18/592302018.db2.gz QJIXXGSSLYBOCS-IRXDYDNUSA-N 2 1 325.497 1.188 20 0 EDADMP CC[C@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000903739912 592302024 /nfs/dbraw/zinc/30/20/24/592302024.db2.gz QJIXXGSSLYBOCS-IRXDYDNUSA-N 2 1 325.497 1.188 20 0 EDADMP CC[C@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000903739912 592302027 /nfs/dbraw/zinc/30/20/27/592302027.db2.gz QJIXXGSSLYBOCS-IRXDYDNUSA-N 2 1 325.497 1.188 20 0 EDADMP Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)n1 ZINC000903740363 592302884 /nfs/dbraw/zinc/30/28/84/592302884.db2.gz VAEBTOKXCNTQRN-ROUUACIJSA-N 2 1 348.491 1.359 20 0 EDADMP Cc1cc(C)n(C[C@@H]2C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)n1 ZINC000903740363 592302887 /nfs/dbraw/zinc/30/28/87/592302887.db2.gz VAEBTOKXCNTQRN-ROUUACIJSA-N 2 1 348.491 1.359 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1)CC(F)(F)F ZINC000903742682 592304070 /nfs/dbraw/zinc/30/40/70/592304070.db2.gz ZIRUANCJNITMPO-JYJNAYRXSA-N 2 1 349.441 1.961 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903742698 592304674 /nfs/dbraw/zinc/30/46/74/592304674.db2.gz ZNVMECSWAUGHLW-QZTJIDSGSA-N 3 1 339.524 1.578 20 0 EDADMP O=C1NCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@H]1CC1CCCCC1 ZINC000903760000 592306386 /nfs/dbraw/zinc/30/63/86/592306386.db2.gz DTGSTBVDMOHMHZ-LNLFQRSKSA-N 2 1 335.492 1.526 20 0 EDADMP O=C1NCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@H]1CC1CCCCC1 ZINC000903760000 592306390 /nfs/dbraw/zinc/30/63/90/592306390.db2.gz DTGSTBVDMOHMHZ-LNLFQRSKSA-N 2 1 335.492 1.526 20 0 EDADMP C[C@@H]1C[C@H](c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)CC[NH2+]1 ZINC000904660427 592307915 /nfs/dbraw/zinc/30/79/15/592307915.db2.gz TUSOVIQQCKHHHV-ZIAGYGMSSA-N 2 1 342.447 1.739 20 0 EDADMP Cc1cn(C)nc1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000903770229 592310841 /nfs/dbraw/zinc/31/08/41/592310841.db2.gz UHFZHEALRVVTMZ-OAHLLOKOSA-N 2 1 343.479 1.241 20 0 EDADMP Cc1cnc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)nc1 ZINC000903770063 592311227 /nfs/dbraw/zinc/31/12/27/592311227.db2.gz RXSBZKKGVXPXJN-OAHLLOKOSA-N 2 1 341.463 1.297 20 0 EDADMP Cc1cnc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)nc1 ZINC000903770063 592311230 /nfs/dbraw/zinc/31/12/30/592311230.db2.gz RXSBZKKGVXPXJN-OAHLLOKOSA-N 2 1 341.463 1.297 20 0 EDADMP Cc1cc(NC(=O)C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)n(C)n1 ZINC000903794482 592317144 /nfs/dbraw/zinc/31/71/44/592317144.db2.gz WUBDQDDWHQGROC-UHFFFAOYSA-N 2 1 341.459 1.660 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C1 ZINC000906755337 592334565 /nfs/dbraw/zinc/33/45/65/592334565.db2.gz BTAVLOAKTSPIEU-INIZCTEOSA-N 2 1 346.475 1.908 20 0 EDADMP [NH3+]C[C@]12CC[C@@H]1CCN2CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000903856522 592347804 /nfs/dbraw/zinc/34/78/04/592347804.db2.gz RPQZHSYJEQKAPM-UYAOXDASSA-N 2 1 342.487 1.144 20 0 EDADMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903887369 592350540 /nfs/dbraw/zinc/35/05/40/592350540.db2.gz ZVUSUSZYWUDNKP-WBVHZDCISA-N 2 1 335.496 1.179 20 0 EDADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903887369 592350545 /nfs/dbraw/zinc/35/05/45/592350545.db2.gz ZVUSUSZYWUDNKP-WBVHZDCISA-N 2 1 335.496 1.179 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCCc3cc(CC[NH3+])ccc32)CC1 ZINC000903871637 592354499 /nfs/dbraw/zinc/35/44/99/592354499.db2.gz YANKWRQCXIPSIY-INIZCTEOSA-N 2 1 344.503 1.493 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000903918604 592376348 /nfs/dbraw/zinc/37/63/48/592376348.db2.gz COMYHSYKQSMECF-MAUKXSAKSA-N 2 1 326.448 1.179 20 0 EDADMP O=C(c1ccc(NC2=[NH+]CCC2)cc1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000908199539 592377423 /nfs/dbraw/zinc/37/74/23/592377423.db2.gz GIIFNJYKGSPXSC-DLBZAZTESA-N 2 1 342.443 1.572 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)cnn1C ZINC000903929230 592382466 /nfs/dbraw/zinc/38/24/66/592382466.db2.gz CKTVRSQQCIRRKA-AEFFLSMTSA-N 2 1 347.507 1.323 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000903932581 592385029 /nfs/dbraw/zinc/38/50/29/592385029.db2.gz FBTXLJRAGATSPM-CRAIPNDOSA-N 2 1 327.432 1.856 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000903932581 592385034 /nfs/dbraw/zinc/38/50/34/592385034.db2.gz FBTXLJRAGATSPM-CRAIPNDOSA-N 2 1 327.432 1.856 20 0 EDADMP COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903915752 592389430 /nfs/dbraw/zinc/38/94/30/592389430.db2.gz PVVVTVPISHNZSI-QAPCUYQASA-N 2 1 334.460 1.178 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000908236363 592398127 /nfs/dbraw/zinc/39/81/27/592398127.db2.gz IGRLVINFCDHENA-LJQANCHMSA-N 2 1 348.491 1.209 20 0 EDADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908236363 592398133 /nfs/dbraw/zinc/39/81/33/592398133.db2.gz IGRLVINFCDHENA-LJQANCHMSA-N 2 1 348.491 1.209 20 0 EDADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908236363 592398139 /nfs/dbraw/zinc/39/81/39/592398139.db2.gz IGRLVINFCDHENA-LJQANCHMSA-N 2 1 348.491 1.209 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CCC[NH+](C)CCN(C)C)C1 ZINC000908240513 592400988 /nfs/dbraw/zinc/40/09/88/592400988.db2.gz WVFKLRBCFODNBM-KRWDZBQOSA-N 2 1 326.529 1.450 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000908240513 592400990 /nfs/dbraw/zinc/40/09/90/592400990.db2.gz WVFKLRBCFODNBM-KRWDZBQOSA-N 2 1 326.529 1.450 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1 ZINC000908240513 592400993 /nfs/dbraw/zinc/40/09/93/592400993.db2.gz WVFKLRBCFODNBM-KRWDZBQOSA-N 2 1 326.529 1.450 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000908240513 592400996 /nfs/dbraw/zinc/40/09/96/592400996.db2.gz WVFKLRBCFODNBM-KRWDZBQOSA-N 2 1 326.529 1.450 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000908240513 592400998 /nfs/dbraw/zinc/40/09/98/592400998.db2.gz WVFKLRBCFODNBM-KRWDZBQOSA-N 2 1 326.529 1.450 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH+]3CCOC[C@H]3C)CC2)C1 ZINC000908313640 592429067 /nfs/dbraw/zinc/42/90/67/592429067.db2.gz AFXOKRBUBPTEQO-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)C1 ZINC000908313640 592429069 /nfs/dbraw/zinc/42/90/69/592429069.db2.gz AFXOKRBUBPTEQO-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)C1 ZINC000908313640 592429071 /nfs/dbraw/zinc/42/90/71/592429071.db2.gz AFXOKRBUBPTEQO-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000905140230 592433901 /nfs/dbraw/zinc/43/39/01/592433901.db2.gz UBZUAEUUUDPIIT-NBOOPKSLSA-N 2 1 326.481 1.933 20 0 EDADMP C[C@]1(C[NH2+]C[C@H](O)C2(O)CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905243989 592474655 /nfs/dbraw/zinc/47/46/55/592474655.db2.gz NYPWUBKCHDTZCX-RBUKOAKNSA-N 2 1 348.487 1.391 20 0 EDADMP O[C@H](C[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000905385466 592514219 /nfs/dbraw/zinc/51/42/19/592514219.db2.gz YTKFWPYHCHFUTH-GBESFXJTSA-N 2 1 334.460 1.314 20 0 EDADMP CCc1ccc(C[NH+]2CCN(C(=S)NCC[NH+](C)C)CC2)cc1 ZINC000905522847 592560432 /nfs/dbraw/zinc/56/04/32/592560432.db2.gz LLDCXKWLLGWTTH-UHFFFAOYSA-N 2 1 334.533 1.803 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000907282237 592582633 /nfs/dbraw/zinc/58/26/33/592582633.db2.gz NNLPQKGADFVWOB-GOEBONIOSA-N 2 1 337.464 1.028 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000907282237 592582636 /nfs/dbraw/zinc/58/26/36/592582636.db2.gz NNLPQKGADFVWOB-GOEBONIOSA-N 2 1 337.464 1.028 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000907282237 592582638 /nfs/dbraw/zinc/58/26/38/592582638.db2.gz NNLPQKGADFVWOB-GOEBONIOSA-N 2 1 337.464 1.028 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000907282237 592582640 /nfs/dbraw/zinc/58/26/40/592582640.db2.gz NNLPQKGADFVWOB-GOEBONIOSA-N 2 1 337.464 1.028 20 0 EDADMP FC(F)c1nnc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)s1 ZINC000905699993 592613698 /nfs/dbraw/zinc/61/36/98/592613698.db2.gz GKZUIAZVTQFYIE-PHIMTYICSA-N 2 1 329.420 1.881 20 0 EDADMP FC(F)c1nnc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)s1 ZINC000905699993 592613700 /nfs/dbraw/zinc/61/37/00/592613700.db2.gz GKZUIAZVTQFYIE-PHIMTYICSA-N 2 1 329.420 1.881 20 0 EDADMP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC000908829907 592635282 /nfs/dbraw/zinc/63/52/82/592635282.db2.gz PPIIPQDXSXMODS-CABCVRRESA-N 2 1 348.495 1.364 20 0 EDADMP CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC000908829907 592635285 /nfs/dbraw/zinc/63/52/85/592635285.db2.gz PPIIPQDXSXMODS-CABCVRRESA-N 2 1 348.495 1.364 20 0 EDADMP CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC000908829907 592635289 /nfs/dbraw/zinc/63/52/89/592635289.db2.gz PPIIPQDXSXMODS-CABCVRRESA-N 2 1 348.495 1.364 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000907589339 592723472 /nfs/dbraw/zinc/72/34/72/592723472.db2.gz TWHDDZQUSGMWQZ-HOTGVXAUSA-N 2 1 325.497 1.412 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000907589339 592723475 /nfs/dbraw/zinc/72/34/75/592723475.db2.gz TWHDDZQUSGMWQZ-HOTGVXAUSA-N 2 1 325.497 1.412 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000907589339 592723478 /nfs/dbraw/zinc/72/34/78/592723478.db2.gz TWHDDZQUSGMWQZ-HOTGVXAUSA-N 2 1 325.497 1.412 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000907862455 592819563 /nfs/dbraw/zinc/81/95/63/592819563.db2.gz VSRHIDZVXGUWDX-SFHVURJKSA-N 2 1 344.503 1.118 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000907862455 592819565 /nfs/dbraw/zinc/81/95/65/592819565.db2.gz VSRHIDZVXGUWDX-SFHVURJKSA-N 2 1 344.503 1.118 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000907862455 592819568 /nfs/dbraw/zinc/81/95/68/592819568.db2.gz VSRHIDZVXGUWDX-SFHVURJKSA-N 2 1 344.503 1.118 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC000910282993 592820240 /nfs/dbraw/zinc/82/02/40/592820240.db2.gz CVNHZXFFVYUWTE-MRXNPFEDSA-N 2 1 345.491 1.390 20 0 EDADMP CC[N@H+]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC000910282993 592820242 /nfs/dbraw/zinc/82/02/42/592820242.db2.gz CVNHZXFFVYUWTE-MRXNPFEDSA-N 2 1 345.491 1.390 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906450460 592824454 /nfs/dbraw/zinc/82/44/54/592824454.db2.gz DGXFTNMWZRZMJH-NUJGCVRESA-N 2 1 336.524 1.344 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(Cc3cnn(C)c3)CC2)C1 ZINC000906591723 592853362 /nfs/dbraw/zinc/85/33/62/592853362.db2.gz FQBIHEISQXQNFP-KRWDZBQOSA-N 2 1 333.480 1.186 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000910859944 592897456 /nfs/dbraw/zinc/89/74/56/592897456.db2.gz GZTOZWOYEMUPCT-IRXDYDNUSA-N 2 1 339.524 1.801 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)C1 ZINC000911569405 592950911 /nfs/dbraw/zinc/95/09/11/592950911.db2.gz RZYYZCIEVPQPLJ-FHWLQOOXSA-N 2 1 343.471 1.585 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911789995 593009178 /nfs/dbraw/zinc/00/91/78/593009178.db2.gz YXLFMMJNBNMEQZ-ZWNOBZJWSA-N 2 1 342.237 1.278 20 0 EDADMP C[C@@]1(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C[NH+]2CCC1CC2 ZINC000912380473 593089420 /nfs/dbraw/zinc/08/94/20/593089420.db2.gz UAGRKYCXZHKTPS-YLJYHZDGSA-N 2 1 342.487 1.894 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000808156146 593229952 /nfs/dbraw/zinc/22/99/52/593229952.db2.gz BCEZKOOFBNCTAS-RBUKOAKNSA-N 2 1 345.487 1.810 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)[C@@H](C)C1 ZINC000839175491 593271131 /nfs/dbraw/zinc/27/11/31/593271131.db2.gz QDQINDFYXYPDLO-JYJNAYRXSA-N 2 1 326.481 1.722 20 0 EDADMP Cc1ccc(N2CC[C@@H]([N@H+](C)CCCN(C)CC[NH+](C)C)C2=O)cc1 ZINC000808781471 593287503 /nfs/dbraw/zinc/28/75/03/593287503.db2.gz HWYQFJYPISHQOJ-LJQANCHMSA-N 2 1 346.519 1.916 20 0 EDADMP CN(CCC[N@@H+](C)Cc1cc(=O)oc2cc(O)ccc12)CC[NH+](C)C ZINC000808781974 593288012 /nfs/dbraw/zinc/28/80/12/593288012.db2.gz ZTTNHKFGKWHMPX-UHFFFAOYSA-N 2 1 347.459 1.814 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1CCN(Cc2cccnc2)C1=O ZINC000839992848 593304343 /nfs/dbraw/zinc/30/43/43/593304343.db2.gz YKSCPYRPWQPRLE-UHFFFAOYSA-N 2 1 331.464 1.550 20 0 EDADMP CC(C)[C@@H]1N(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C(=O)[C@]12CCCO2 ZINC000840025453 593387910 /nfs/dbraw/zinc/38/79/10/593387910.db2.gz CGYXEJFWDDQQFZ-ZMMAXQRCSA-N 2 1 335.492 1.776 20 0 EDADMP CC[C@]1(C2CC2)NC(=O)N(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1=O ZINC000758236727 593397621 /nfs/dbraw/zinc/39/76/21/593397621.db2.gz FVFVFPSIUBNWBA-DDUZABMNSA-N 2 1 334.464 1.471 20 0 EDADMP COC(=O)C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000817276182 593587203 /nfs/dbraw/zinc/58/72/03/593587203.db2.gz URTLOCACCGEEFS-GOSISDBHSA-N 2 1 332.444 1.950 20 0 EDADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000817893413 593646175 /nfs/dbraw/zinc/64/61/75/593646175.db2.gz SRQQBUIJQQDFRE-JKSUJKDBSA-N 2 1 325.478 1.356 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000818963134 593730779 /nfs/dbraw/zinc/73/07/79/593730779.db2.gz HUALFKJGRHJJBI-ZNMIVQPWSA-N 2 1 327.469 1.479 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)COC2CCOCC2)cn1 ZINC000818968327 593731103 /nfs/dbraw/zinc/73/11/03/593731103.db2.gz RADCZAZESIAVIM-INIZCTEOSA-N 2 1 346.431 1.222 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625260 593886204 /nfs/dbraw/zinc/88/62/04/593886204.db2.gz JLBODGJGEAUTGA-BBRMVZONSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625260 593886206 /nfs/dbraw/zinc/88/62/06/593886206.db2.gz JLBODGJGEAUTGA-BBRMVZONSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625260 593886207 /nfs/dbraw/zinc/88/62/07/593886207.db2.gz JLBODGJGEAUTGA-BBRMVZONSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625260 593886209 /nfs/dbraw/zinc/88/62/09/593886209.db2.gz JLBODGJGEAUTGA-BBRMVZONSA-N 2 1 330.411 1.922 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1-c1nn[nH]n1 ZINC000821809125 593945135 /nfs/dbraw/zinc/94/51/35/593945135.db2.gz MGDDVUPOPVVQCW-ZIAGYGMSSA-N 2 1 328.420 1.592 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1-c1nn[nH]n1 ZINC000821809125 593945137 /nfs/dbraw/zinc/94/51/37/593945137.db2.gz MGDDVUPOPVVQCW-ZIAGYGMSSA-N 2 1 328.420 1.592 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821088745 593962907 /nfs/dbraw/zinc/96/29/07/593962907.db2.gz UQYTWYKMSYUZNK-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821088745 593962911 /nfs/dbraw/zinc/96/29/11/593962911.db2.gz UQYTWYKMSYUZNK-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821088745 593962913 /nfs/dbraw/zinc/96/29/13/593962913.db2.gz UQYTWYKMSYUZNK-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821088745 593962916 /nfs/dbraw/zinc/96/29/16/593962916.db2.gz UQYTWYKMSYUZNK-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnc(F)c(Cl)c1 ZINC000824825956 594080748 /nfs/dbraw/zinc/08/07/48/594080748.db2.gz FOMDIDZZGFUZAM-NSHDSACASA-N 2 1 330.835 1.876 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnc(F)c(Cl)c1 ZINC000824825956 594080750 /nfs/dbraw/zinc/08/07/50/594080750.db2.gz FOMDIDZZGFUZAM-NSHDSACASA-N 2 1 330.835 1.876 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC000825851316 594262303 /nfs/dbraw/zinc/26/23/03/594262303.db2.gz WDRPNXVTWOIOIG-BRWVUGGUSA-N 2 1 342.447 1.550 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC000828956267 594537290 /nfs/dbraw/zinc/53/72/90/594537290.db2.gz LFDBPAIRTLJMNQ-UONOGXRCSA-N 2 1 340.855 1.270 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000827166113 594649832 /nfs/dbraw/zinc/64/98/32/594649832.db2.gz MFCBLTJZMCJIGI-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000827166113 594649833 /nfs/dbraw/zinc/64/98/33/594649833.db2.gz MFCBLTJZMCJIGI-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000827166113 594649834 /nfs/dbraw/zinc/64/98/34/594649834.db2.gz MFCBLTJZMCJIGI-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)CC[C@H]21 ZINC000827340350 594662680 /nfs/dbraw/zinc/66/26/80/594662680.db2.gz ZJCPETOCEFRRJD-CEXWTWQISA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)CC[C@H]21 ZINC000827340350 594662681 /nfs/dbraw/zinc/66/26/81/594662681.db2.gz ZJCPETOCEFRRJD-CEXWTWQISA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)CC[C@H]21 ZINC000827340350 594662682 /nfs/dbraw/zinc/66/26/82/594662682.db2.gz ZJCPETOCEFRRJD-CEXWTWQISA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=S)NC(C)(C)C[NH+]1CCOCC1 ZINC000840862334 594822166 /nfs/dbraw/zinc/82/21/66/594822166.db2.gz WAYFYDMFYWTQDM-UHFFFAOYSA-N 2 1 330.542 1.149 20 0 EDADMP Cc1ccc(N2CCC[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)cc1 ZINC000841003077 594837652 /nfs/dbraw/zinc/83/76/52/594837652.db2.gz MHSWFRSAUDTERM-GOSISDBHSA-N 2 1 344.503 1.704 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000841310355 594883768 /nfs/dbraw/zinc/88/37/68/594883768.db2.gz NXCXRERCIIZBIA-SJORKVTESA-N 2 1 332.448 1.781 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cn1 ZINC000841721333 594943502 /nfs/dbraw/zinc/94/35/02/594943502.db2.gz GCSIYSFYGAOQSE-HNNXBMFYSA-N 2 1 328.420 1.517 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000841791463 594953985 /nfs/dbraw/zinc/95/39/85/594953985.db2.gz XJRWMCDHQMJJRY-BRWVUGGUSA-N 2 1 336.480 1.023 20 0 EDADMP Cc1cc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cn2ccnc12 ZINC000836689882 594988414 /nfs/dbraw/zinc/98/84/14/594988414.db2.gz KXRMTDMLJUJBFG-LSDHHAIUSA-N 2 1 329.404 1.627 20 0 EDADMP Cc1cc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn2cc[nH+]c12 ZINC000836689882 594988416 /nfs/dbraw/zinc/98/84/16/594988416.db2.gz KXRMTDMLJUJBFG-LSDHHAIUSA-N 2 1 329.404 1.627 20 0 EDADMP COC(=O)c1csc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000842038454 595007279 /nfs/dbraw/zinc/00/72/79/595007279.db2.gz GPRWSQXOENBBTO-LLVKDONJSA-N 2 1 342.421 1.037 20 0 EDADMP COC(=O)c1csc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000842038454 595007282 /nfs/dbraw/zinc/00/72/82/595007282.db2.gz GPRWSQXOENBBTO-LLVKDONJSA-N 2 1 342.421 1.037 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000834591539 595170030 /nfs/dbraw/zinc/17/00/30/595170030.db2.gz AIUJXZUKPRNDNJ-JKIFEVAISA-N 2 1 329.435 1.844 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000834591539 595170033 /nfs/dbraw/zinc/17/00/33/595170033.db2.gz AIUJXZUKPRNDNJ-JKIFEVAISA-N 2 1 329.435 1.844 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](C)C1 ZINC000843800806 595189885 /nfs/dbraw/zinc/18/98/85/595189885.db2.gz WRIPXUPYIYVSCV-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000843061264 595277068 /nfs/dbraw/zinc/27/70/68/595277068.db2.gz DJLGUILQKJZRBY-CABCVRRESA-N 2 1 332.366 1.785 20 0 EDADMP CC[NH2+]CC(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000844181818 595294490 /nfs/dbraw/zinc/29/44/90/595294490.db2.gz YOPCYOSAVSBCTQ-UHFFFAOYSA-N 2 1 349.475 1.402 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)C(OC)OC)CC2)CC1 ZINC000848384384 595371515 /nfs/dbraw/zinc/37/15/15/595371515.db2.gz KMVBURVAHBINIE-AWEZNQCLSA-N 2 1 341.496 1.306 20 0 EDADMP O=C1OCCN1c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000848545244 595404301 /nfs/dbraw/zinc/40/43/01/595404301.db2.gz SXDPXVJCXPOGRL-GOSISDBHSA-N 2 1 345.443 1.986 20 0 EDADMP Cc1[nH+]ccn1CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849073837 595478358 /nfs/dbraw/zinc/47/83/58/595478358.db2.gz HQWLSLKKNBXHJH-UHFFFAOYSA-N 3 1 340.475 1.970 20 0 EDADMP CSc1ccc(F)cc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849096416 595481473 /nfs/dbraw/zinc/48/14/73/595481473.db2.gz DCBJPTBSINBTBP-UHFFFAOYSA-N 2 1 340.468 1.884 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000107261766 595503402 /nfs/dbraw/zinc/50/34/02/595503402.db2.gz KRRAVZAXLVLONH-UHFFFAOYSA-N 2 1 329.448 1.957 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NC2CC[NH+](C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849489035 595549414 /nfs/dbraw/zinc/54/94/14/595549414.db2.gz QPTYNXLJVMQPDK-ROUUACIJSA-N 2 1 347.507 1.444 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849497055 595551493 /nfs/dbraw/zinc/55/14/93/595551493.db2.gz CTOVXMUWUDNCEQ-NJAFHUGGSA-N 2 1 347.507 1.446 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849497055 595551496 /nfs/dbraw/zinc/55/14/96/595551496.db2.gz CTOVXMUWUDNCEQ-NJAFHUGGSA-N 2 1 347.507 1.446 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849497055 595551498 /nfs/dbraw/zinc/55/14/98/595551498.db2.gz CTOVXMUWUDNCEQ-NJAFHUGGSA-N 2 1 347.507 1.446 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000849520690 595556511 /nfs/dbraw/zinc/55/65/11/595556511.db2.gz OFYANHACQCBSHM-IAGOWNOFSA-N 2 1 333.480 1.056 20 0 EDADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000849520690 595556515 /nfs/dbraw/zinc/55/65/15/595556515.db2.gz OFYANHACQCBSHM-IAGOWNOFSA-N 2 1 333.480 1.056 20 0 EDADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000849520690 595556519 /nfs/dbraw/zinc/55/65/19/595556519.db2.gz OFYANHACQCBSHM-IAGOWNOFSA-N 2 1 333.480 1.056 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000852865757 595586021 /nfs/dbraw/zinc/58/60/21/595586021.db2.gz OCSXWCQVGPCFJB-VNQPRFMTSA-N 2 1 330.432 1.259 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCCCC[NH+](C)C2CC2)cn1 ZINC000849600229 595588985 /nfs/dbraw/zinc/58/89/85/595588985.db2.gz GMKDMCXHNGNZEK-MSOLQXFVSA-N 2 1 347.507 1.446 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@H]2C(=O)NCCCC[N@H+](C)C2CC2)cn1 ZINC000849600229 595588987 /nfs/dbraw/zinc/58/89/87/595588987.db2.gz GMKDMCXHNGNZEK-MSOLQXFVSA-N 2 1 347.507 1.446 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@H]2C(=O)NCCCC[N@@H+](C)C2CC2)cn1 ZINC000849600229 595588988 /nfs/dbraw/zinc/58/89/88/595588988.db2.gz GMKDMCXHNGNZEK-MSOLQXFVSA-N 2 1 347.507 1.446 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852871953 595591210 /nfs/dbraw/zinc/59/12/10/595591210.db2.gz FZAFAXQOMWJTCN-IAGOWNOFSA-N 2 1 344.459 1.461 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000852873200 595592448 /nfs/dbraw/zinc/59/24/48/595592448.db2.gz QNRYFOWRFUKQGJ-DLBZAZTESA-N 2 1 332.448 1.131 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nnc2ccccc2n1 ZINC000855347179 595682003 /nfs/dbraw/zinc/68/20/03/595682003.db2.gz XHNRDJMKCPBMJD-ZDUSSCGKSA-N 2 1 330.436 1.027 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nnc2ccccc2n1 ZINC000855347179 595682005 /nfs/dbraw/zinc/68/20/05/595682005.db2.gz XHNRDJMKCPBMJD-ZDUSSCGKSA-N 2 1 330.436 1.027 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H](CCF)C1)C2=O ZINC000853564978 595806119 /nfs/dbraw/zinc/80/61/19/595806119.db2.gz XBMARISPPDPRHW-CYBMUJFWSA-N 2 1 326.416 1.032 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H](CCF)C1)C2=O ZINC000853564978 595806122 /nfs/dbraw/zinc/80/61/22/595806122.db2.gz XBMARISPPDPRHW-CYBMUJFWSA-N 2 1 326.416 1.032 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC[C@@H]([NH3+])C(C)C)cn1 ZINC000851655734 595869462 /nfs/dbraw/zinc/86/94/62/595869462.db2.gz VPJWNDFKFIDYEM-OAHLLOKOSA-N 2 1 330.436 1.748 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC000859212309 596005607 /nfs/dbraw/zinc/00/56/07/596005607.db2.gz MQHPYKKHRGLRQH-UHFFFAOYSA-N 2 1 325.416 1.716 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)cc1 ZINC000859211880 596005851 /nfs/dbraw/zinc/00/58/51/596005851.db2.gz BYIRBTNRWJCXOU-UHFFFAOYSA-N 2 1 349.475 1.638 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)cc1 ZINC000859211880 596005853 /nfs/dbraw/zinc/00/58/53/596005853.db2.gz BYIRBTNRWJCXOU-UHFFFAOYSA-N 2 1 349.475 1.638 20 0 EDADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000861539655 596020361 /nfs/dbraw/zinc/02/03/61/596020361.db2.gz OXCZCQDVTWLEQO-LSDHHAIUSA-N 2 1 346.475 1.663 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC(OC)OC)C2)ccn1 ZINC000856583831 596020880 /nfs/dbraw/zinc/02/08/80/596020880.db2.gz APAPRBOHWGFQSP-QGZVFWFLSA-N 2 1 337.464 1.995 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC(OC)OC)C2)ccn1 ZINC000856583831 596020883 /nfs/dbraw/zinc/02/08/83/596020883.db2.gz APAPRBOHWGFQSP-QGZVFWFLSA-N 2 1 337.464 1.995 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC(OC)OC)C2)ccn1 ZINC000856583831 596020887 /nfs/dbraw/zinc/02/08/87/596020887.db2.gz APAPRBOHWGFQSP-QGZVFWFLSA-N 2 1 337.464 1.995 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N(C[C@@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)C1 ZINC000854334911 596039871 /nfs/dbraw/zinc/03/98/71/596039871.db2.gz URHRSOIMBXWRHY-RDJZCZTQSA-N 2 1 339.524 1.658 20 0 EDADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861712663 596077468 /nfs/dbraw/zinc/07/74/68/596077468.db2.gz RJEZXBZNIPHRNM-KBAYOESNSA-N 2 1 335.492 1.309 20 0 EDADMP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000861712663 596077473 /nfs/dbraw/zinc/07/74/73/596077473.db2.gz RJEZXBZNIPHRNM-KBAYOESNSA-N 2 1 335.492 1.309 20 0 EDADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000861712663 596077476 /nfs/dbraw/zinc/07/74/76/596077476.db2.gz RJEZXBZNIPHRNM-KBAYOESNSA-N 2 1 335.492 1.309 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3nc4ccccc4[nH]3)nn2)CC1 ZINC000864653962 596298458 /nfs/dbraw/zinc/29/84/58/596298458.db2.gz MQOIPRVHMFOHDF-UHFFFAOYSA-N 2 1 325.420 1.168 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710969 596304477 /nfs/dbraw/zinc/30/44/77/596304477.db2.gz YLVLQPGCEJFKNN-JJTUDDRGSA-N 2 1 337.464 1.449 20 0 EDADMP Cc1nc2ccccn2c1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714810 596306998 /nfs/dbraw/zinc/30/69/98/596306998.db2.gz XYPRTONFYVDLNU-LZWOXQAQSA-N 2 1 341.415 1.010 20 0 EDADMP C(CCC[N@H+]1CCC2(C1)OCCO2)CC[NH+]1CCC2(C1)OCCO2 ZINC000118942911 596330606 /nfs/dbraw/zinc/33/06/06/596330606.db2.gz VUCIACBMCMSSPA-UHFFFAOYSA-N 2 1 340.464 1.444 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000870865436 596381901 /nfs/dbraw/zinc/38/19/01/596381901.db2.gz UGUMEZZGBICYDZ-RCCFBDPRSA-N 2 1 344.503 1.831 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870866012 596382484 /nfs/dbraw/zinc/38/24/84/596382484.db2.gz PYXHLOFDKTXCPZ-UHFFFAOYSA-N 2 1 340.493 1.308 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CC[NH2+]CC3CC3)c2)CCO1 ZINC000870873599 596385496 /nfs/dbraw/zinc/38/54/96/596385496.db2.gz HUTSOZURMDNBHL-MRXNPFEDSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CC[NH2+]CC3CC3)c2)CCO1 ZINC000870873599 596385500 /nfs/dbraw/zinc/38/55/00/596385500.db2.gz HUTSOZURMDNBHL-MRXNPFEDSA-N 2 1 345.487 1.913 20 0 EDADMP [NH3+][C@H]1CC[C@@H](C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000870947923 596415605 /nfs/dbraw/zinc/41/56/05/596415605.db2.gz LOPKRQRDTTVHEK-HDICACEKSA-N 2 1 344.503 1.614 20 0 EDADMP Cc1ccn(C[C@@H](C)C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000864984251 596435415 /nfs/dbraw/zinc/43/54/15/596435415.db2.gz KQKXDNHMJCTTJP-CQSZACIVSA-N 2 1 342.447 1.613 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)/C=C\c1ccc(C=O)cc1 ZINC000869237499 596456888 /nfs/dbraw/zinc/45/68/88/596456888.db2.gz SZRQEXGZVMTHEP-SNGWPZLWSA-N 2 1 331.460 1.901 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)/C=C\c1ccc(C=O)cc1 ZINC000869237499 596456890 /nfs/dbraw/zinc/45/68/90/596456890.db2.gz SZRQEXGZVMTHEP-SNGWPZLWSA-N 2 1 331.460 1.901 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865528138 596600749 /nfs/dbraw/zinc/60/07/49/596600749.db2.gz FTWYKHBRGMUUJE-NHYWBVRUSA-N 2 1 337.411 1.191 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865528138 596600751 /nfs/dbraw/zinc/60/07/51/596600751.db2.gz FTWYKHBRGMUUJE-NHYWBVRUSA-N 2 1 337.411 1.191 20 0 EDADMP C[N@@H+](CCC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)C1CCCCC1 ZINC000869778912 596630131 /nfs/dbraw/zinc/63/01/31/596630131.db2.gz RIARNSOKUYPCGX-HNNXBMFYSA-N 2 1 325.497 1.602 20 0 EDADMP C[NH+](CCC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)C1CCCCC1 ZINC000869778912 596630135 /nfs/dbraw/zinc/63/01/35/596630135.db2.gz RIARNSOKUYPCGX-HNNXBMFYSA-N 2 1 325.497 1.602 20 0 EDADMP C[NH+](CCC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)C1CCCCC1 ZINC000869778912 596630139 /nfs/dbraw/zinc/63/01/39/596630139.db2.gz RIARNSOKUYPCGX-HNNXBMFYSA-N 2 1 325.497 1.602 20 0 EDADMP C[C@H](NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C1CC[NH2+]CC1 ZINC000868012657 596654918 /nfs/dbraw/zinc/65/49/18/596654918.db2.gz JZXYJRIUISTPLX-LPHOPBHVSA-N 2 1 344.503 1.479 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)cn2)CC1 ZINC000865762637 596673225 /nfs/dbraw/zinc/67/32/25/596673225.db2.gz SETCNXRPYGBMNW-MSOLQXFVSA-N 2 1 345.491 1.523 20 0 EDADMP C[C@H](c1ccc(NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000868121599 596693576 /nfs/dbraw/zinc/69/35/76/596693576.db2.gz HIOLUSVABSACQZ-FMKPAKJESA-N 2 1 332.448 1.939 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)C(C)C ZINC000868218306 596730490 /nfs/dbraw/zinc/73/04/90/596730490.db2.gz DHRHVSJHILDZHR-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CC[N@H+](CCNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1)C(C)C ZINC000868218306 596730492 /nfs/dbraw/zinc/73/04/92/596730492.db2.gz DHRHVSJHILDZHR-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1)C(C)C ZINC000868218306 596730497 /nfs/dbraw/zinc/73/04/97/596730497.db2.gz DHRHVSJHILDZHR-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1=CC[N@@H+](C)CC1 ZINC000868239681 596741011 /nfs/dbraw/zinc/74/10/11/596741011.db2.gz XDMHYWHODWCPIE-OAUYIBNBSA-N 2 1 342.443 1.206 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)CC1 ZINC000870084531 596742171 /nfs/dbraw/zinc/74/21/71/596742171.db2.gz SZKPJJUAUTVYHM-GOSISDBHSA-N 2 1 331.460 1.986 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1)Cc1ccc(F)cc1 ZINC000868335471 596789841 /nfs/dbraw/zinc/78/98/41/596789841.db2.gz DHNLPYXFEVYPDT-WMZOPIPTSA-N 2 1 348.466 1.993 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)Cc1ccc(F)cc1 ZINC000868335471 596789844 /nfs/dbraw/zinc/78/98/44/596789844.db2.gz DHNLPYXFEVYPDT-WMZOPIPTSA-N 2 1 348.466 1.993 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000872254886 596855503 /nfs/dbraw/zinc/85/55/03/596855503.db2.gz FRBUCBDRGSMCOX-RYQLBKOJSA-N 2 1 338.411 1.602 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875591821 596908527 /nfs/dbraw/zinc/90/85/27/596908527.db2.gz ACDYDQABJKDPDU-CABCVRRESA-N 2 1 328.501 1.251 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875591821 596908529 /nfs/dbraw/zinc/90/85/29/596908529.db2.gz ACDYDQABJKDPDU-CABCVRRESA-N 2 1 328.501 1.251 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000875591821 596908532 /nfs/dbraw/zinc/90/85/32/596908532.db2.gz ACDYDQABJKDPDU-CABCVRRESA-N 2 1 328.501 1.251 20 0 EDADMP COc1ccc(Cn2cc(C[NH2+]CC3=CC[N@H+](C)CC3)nn2)cc1 ZINC000873101477 597195046 /nfs/dbraw/zinc/19/50/46/597195046.db2.gz VGNWLSNBCKHDHO-UHFFFAOYSA-N 2 1 327.432 1.687 20 0 EDADMP COc1ccc(Cn2cc(C[NH2+]CC3=CC[N@@H+](C)CC3)nn2)cc1 ZINC000873101477 597195048 /nfs/dbraw/zinc/19/50/48/597195048.db2.gz VGNWLSNBCKHDHO-UHFFFAOYSA-N 2 1 327.432 1.687 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875144585 597301953 /nfs/dbraw/zinc/30/19/53/597301953.db2.gz RSMLSXAIQIBAJL-OAGGEKHMSA-N 2 1 340.512 1.251 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875144585 597301958 /nfs/dbraw/zinc/30/19/58/597301958.db2.gz RSMLSXAIQIBAJL-OAGGEKHMSA-N 2 1 340.512 1.251 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000875144585 597301962 /nfs/dbraw/zinc/30/19/62/597301962.db2.gz RSMLSXAIQIBAJL-OAGGEKHMSA-N 2 1 340.512 1.251 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876719152 597303440 /nfs/dbraw/zinc/30/34/40/597303440.db2.gz DQPBHUJDDAWCPZ-YJBOKZPZSA-N 2 1 332.492 1.566 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000876723654 597306719 /nfs/dbraw/zinc/30/67/19/597306719.db2.gz WJCMWNXALORVFC-HZPDHXFCSA-N 2 1 333.480 1.720 20 0 EDADMP COCC[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000876730071 597310738 /nfs/dbraw/zinc/31/07/38/597310738.db2.gz BKCKRWAFTLNWTG-GJZGRUSLSA-N 2 1 329.485 1.800 20 0 EDADMP COCC[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000876730071 597310741 /nfs/dbraw/zinc/31/07/41/597310741.db2.gz BKCKRWAFTLNWTG-GJZGRUSLSA-N 2 1 329.485 1.800 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876733705 597312408 /nfs/dbraw/zinc/31/24/08/597312408.db2.gz FPPQTTOYBMKWOW-XHPSBEMXSA-N 2 1 325.416 1.748 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[NH+]1CCC(C)CC1 ZINC000875171292 597312958 /nfs/dbraw/zinc/31/29/58/597312958.db2.gz QHZLFWRBYMHUEJ-CVEARBPZSA-N 2 1 340.512 1.251 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)c2)CCO1 ZINC000876738211 597314627 /nfs/dbraw/zinc/31/46/27/597314627.db2.gz XUDWYHKALJMUJP-FHLIZLRMSA-N 2 1 345.487 1.897 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)c2)CCO1 ZINC000876738211 597314632 /nfs/dbraw/zinc/31/46/32/597314632.db2.gz XUDWYHKALJMUJP-FHLIZLRMSA-N 2 1 345.487 1.897 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)c2)CCO1 ZINC000876738213 597314764 /nfs/dbraw/zinc/31/47/64/597314764.db2.gz XUDWYHKALJMUJP-OLMNPRSZSA-N 2 1 345.487 1.897 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)c2)CCO1 ZINC000876738213 597314767 /nfs/dbraw/zinc/31/47/67/597314767.db2.gz XUDWYHKALJMUJP-OLMNPRSZSA-N 2 1 345.487 1.897 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876742323 597317192 /nfs/dbraw/zinc/31/71/92/597317192.db2.gz XFFBXJOZVFYMIJ-RCCFBDPRSA-N 2 1 333.451 1.615 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000876756176 597324582 /nfs/dbraw/zinc/32/45/82/597324582.db2.gz PUYYTNDMTSSBER-INIZCTEOSA-N 2 1 333.480 1.720 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)CCCn1cc[nH+]c1C ZINC000876893116 597372590 /nfs/dbraw/zinc/37/25/90/597372590.db2.gz ILDCRRGNYMSOBD-MRXNPFEDSA-N 2 1 344.463 1.783 20 0 EDADMP COc1cnc(F)c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000876992070 597406638 /nfs/dbraw/zinc/40/66/38/597406638.db2.gz KKBADUWBJQBTCZ-UHFFFAOYSA-N 2 1 336.455 1.878 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877020286 597413452 /nfs/dbraw/zinc/41/34/52/597413452.db2.gz OFXWOIXBYWDKAT-OAHLLOKOSA-N 2 1 325.478 1.544 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877020286 597413454 /nfs/dbraw/zinc/41/34/54/597413454.db2.gz OFXWOIXBYWDKAT-OAHLLOKOSA-N 2 1 325.478 1.544 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000877228462 597468404 /nfs/dbraw/zinc/46/84/04/597468404.db2.gz AVOGJUVRHVGXCH-ZWKOTPCHSA-N 2 1 329.444 1.360 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000877228462 597468406 /nfs/dbraw/zinc/46/84/06/597468406.db2.gz AVOGJUVRHVGXCH-ZWKOTPCHSA-N 2 1 329.444 1.360 20 0 EDADMP [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000877244648 597477164 /nfs/dbraw/zinc/47/71/64/597477164.db2.gz IJKHHBFSPRYIDS-MLYOOKFZSA-N 2 1 343.471 1.379 20 0 EDADMP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000877244647 597477300 /nfs/dbraw/zinc/47/73/00/597477300.db2.gz IJKHHBFSPRYIDS-JPLJXNOCSA-N 2 1 343.471 1.379 20 0 EDADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(S(N)(=O)=O)s1)CC2 ZINC000877683814 597547337 /nfs/dbraw/zinc/54/73/37/597547337.db2.gz JPEMKOIHWTXJKX-UHFFFAOYSA-N 2 1 343.518 1.703 20 0 EDADMP COC(=O)c1cccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC000877746807 597552657 /nfs/dbraw/zinc/55/26/57/597552657.db2.gz XPMSFOOBNFSXSR-UHFFFAOYSA-N 2 1 331.460 1.685 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000879569233 597635480 /nfs/dbraw/zinc/63/54/80/597635480.db2.gz LILDUUAOAIMJSH-PBHICJAKSA-N 2 1 327.428 1.699 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000879569233 597635481 /nfs/dbraw/zinc/63/54/81/597635481.db2.gz LILDUUAOAIMJSH-PBHICJAKSA-N 2 1 327.428 1.699 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000879569233 597635482 /nfs/dbraw/zinc/63/54/82/597635482.db2.gz LILDUUAOAIMJSH-PBHICJAKSA-N 2 1 327.428 1.699 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000879569233 597635483 /nfs/dbraw/zinc/63/54/83/597635483.db2.gz LILDUUAOAIMJSH-PBHICJAKSA-N 2 1 327.428 1.699 20 0 EDADMP C[C@H]1CN(CC(=O)NC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000878711983 597687404 /nfs/dbraw/zinc/68/74/04/597687404.db2.gz OZQFWMPNAWVORD-KRWDZBQOSA-N 2 1 344.503 1.403 20 0 EDADMP CC(C)CNC(=O)NC(=O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879701831 597694389 /nfs/dbraw/zinc/69/43/89/597694389.db2.gz CBHPWVMZMGVDNE-UHFFFAOYSA-N 2 1 340.512 1.768 20 0 EDADMP C[NH2+]C[C@H]1CCCCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000883449977 597752066 /nfs/dbraw/zinc/75/20/66/597752066.db2.gz VCUMFRDDFXNEPW-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883586045 597814353 /nfs/dbraw/zinc/81/43/53/597814353.db2.gz DILRWHYPDYETHQ-MAUKXSAKSA-N 2 1 343.475 1.784 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884198086 598025246 /nfs/dbraw/zinc/02/52/46/598025246.db2.gz MRPZJDAZUVMNLA-STQMWFEESA-N 2 1 326.238 1.659 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884198086 598025249 /nfs/dbraw/zinc/02/52/49/598025249.db2.gz MRPZJDAZUVMNLA-STQMWFEESA-N 2 1 326.238 1.659 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884192644 598022198 /nfs/dbraw/zinc/02/21/98/598022198.db2.gz KPTWWAKDJZEFFA-FZMZJTMJSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@H](NC(=O)NCCCCCCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000129997501 598042104 /nfs/dbraw/zinc/04/21/04/598042104.db2.gz GRMGFXRVNXFIDP-JKSUJKDBSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@H](NC(=O)NCCCCCCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000129997501 598042108 /nfs/dbraw/zinc/04/21/08/598042108.db2.gz GRMGFXRVNXFIDP-JKSUJKDBSA-N 2 1 328.501 1.517 20 0 EDADMP COCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000884309541 598061984 /nfs/dbraw/zinc/06/19/84/598061984.db2.gz XWNSAOLJXXEZFO-SFHVURJKSA-N 2 1 333.476 1.517 20 0 EDADMP CC[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@@H+]2CC)ncc1OC ZINC000882960929 598117447 /nfs/dbraw/zinc/11/74/47/598117447.db2.gz ZJFGRTZWQORAAR-ZIAGYGMSSA-N 2 1 334.468 1.497 20 0 EDADMP CC[NH+]1CC[C@@H]1CNc1ncc(OC)c(NC[C@H]2CC[N@@H+]2CC)n1 ZINC000882960929 598117451 /nfs/dbraw/zinc/11/74/51/598117451.db2.gz ZJFGRTZWQORAAR-ZIAGYGMSSA-N 2 1 334.468 1.497 20 0 EDADMP CC[NH+]1CC[C@@H]1CNc1ncc(OC)c(NC[C@H]2CC[N@H+]2CC)n1 ZINC000882960929 598117455 /nfs/dbraw/zinc/11/74/55/598117455.db2.gz ZJFGRTZWQORAAR-ZIAGYGMSSA-N 2 1 334.468 1.497 20 0 EDADMP Cc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c(Cl)n1 ZINC000881312558 598123024 /nfs/dbraw/zinc/12/30/24/598123024.db2.gz NGIUPLVSUWRNBU-UHFFFAOYSA-N 2 1 334.855 1.649 20 0 EDADMP O=C(NCCCNc1ccccn1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000914153382 695162057 /nfs/dbraw/zinc/16/20/57/695162057.db2.gz ZLBLXJHOUIINHB-MRXNPFEDSA-N 2 1 347.463 1.436 20 0 EDADMP Cc1ccc(NCCNC(=O)NC2CC[NH+](CC3CC3)CC2)[nH+]c1 ZINC000914248320 695309692 /nfs/dbraw/zinc/30/96/92/695309692.db2.gz RTNUEVRZMWSJOM-UHFFFAOYSA-N 2 1 331.464 1.976 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CC3)[C@@H]2C1 ZINC000992862203 695410604 /nfs/dbraw/zinc/41/06/04/695410604.db2.gz RRQNLHBIBIROSN-IPMKNSEASA-N 2 1 349.519 1.726 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)C2 ZINC000915154014 695752732 /nfs/dbraw/zinc/75/27/32/695752732.db2.gz RJNFBRNIZAQYMB-MAPUTHEBSA-N 2 1 340.512 1.106 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@H+]1CCCF ZINC000993371576 696019693 /nfs/dbraw/zinc/01/96/93/696019693.db2.gz ZYHLLOWRNUUBOT-HUUCEWRRSA-N 2 1 339.459 1.387 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2C[NH+](CCC3CCOCC3)C2)C1 ZINC001031253985 696025094 /nfs/dbraw/zinc/02/50/94/696025094.db2.gz MSDDFLMEXDKDND-AEFFLSMTSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](C[C@H]3CCCC(F)(F)C3)C2)C1 ZINC001031259546 696071393 /nfs/dbraw/zinc/07/13/93/696071393.db2.gz DFIYNRPRKZUTSC-KBPBESRZSA-N 2 1 329.435 1.954 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](C[C@H]3CCCC(F)(F)C3)C2)C1 ZINC001031259546 696071396 /nfs/dbraw/zinc/07/13/96/696071396.db2.gz DFIYNRPRKZUTSC-KBPBESRZSA-N 2 1 329.435 1.954 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](CCc2ccnn2C)[C@@H]1C ZINC000993602882 696253404 /nfs/dbraw/zinc/25/34/04/696253404.db2.gz BMQMHVSDFQQEQV-NVXWUHKLSA-N 2 1 344.463 1.137 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](CCc2ccnn2C)[C@@H]1C ZINC000993602882 696253406 /nfs/dbraw/zinc/25/34/06/696253406.db2.gz BMQMHVSDFQQEQV-NVXWUHKLSA-N 2 1 344.463 1.137 20 0 EDADMP C[C@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCC[N@H+]1CCCF ZINC000993984840 696482016 /nfs/dbraw/zinc/48/20/16/696482016.db2.gz JIBKBADJRMQDQT-HOCLYGCPSA-N 2 1 339.459 1.387 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCC[N@H+]1CCOC1CCC1 ZINC000994219000 696587607 /nfs/dbraw/zinc/58/76/07/696587607.db2.gz AIKDIGZNNYPRPA-PBHICJAKSA-N 2 1 334.464 1.501 20 0 EDADMP Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000917009818 696875647 /nfs/dbraw/zinc/87/56/47/696875647.db2.gz AHMFWYNFFXKSDX-DLBZAZTESA-N 2 1 346.475 1.497 20 0 EDADMP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000917009818 696875651 /nfs/dbraw/zinc/87/56/51/696875651.db2.gz AHMFWYNFFXKSDX-DLBZAZTESA-N 2 1 346.475 1.497 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C[C@@H](O)Cc2ccccc2)C1 ZINC001031440022 697109154 /nfs/dbraw/zinc/10/91/54/697109154.db2.gz OJZZIJCUYMBVAK-RBUKOAKNSA-N 2 1 345.487 1.265 20 0 EDADMP COc1ccc(OCC[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001031577486 697273854 /nfs/dbraw/zinc/27/38/54/697273854.db2.gz NOCSSRJTAICQLK-GOSISDBHSA-N 2 1 347.459 1.216 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001031684164 697515064 /nfs/dbraw/zinc/51/50/64/697515064.db2.gz JBNONQJMRLSZQM-DOTOQJQBSA-N 2 1 334.464 1.515 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001031684164 697515068 /nfs/dbraw/zinc/51/50/68/697515068.db2.gz JBNONQJMRLSZQM-DOTOQJQBSA-N 2 1 334.464 1.515 20 0 EDADMP CC1(C)CC(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001031688238 697522658 /nfs/dbraw/zinc/52/26/58/697522658.db2.gz BCSRMMRPJXJGFK-DLBZAZTESA-N 2 1 335.492 1.334 20 0 EDADMP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031689087 697524411 /nfs/dbraw/zinc/52/44/11/697524411.db2.gz RUHBMEDTMGHJEF-RTBURBONSA-N 2 1 349.519 1.868 20 0 EDADMP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031689084 697524425 /nfs/dbraw/zinc/52/44/25/697524425.db2.gz RUHBMEDTMGHJEF-MOPGFXCFSA-N 2 1 349.519 1.868 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000921181577 697525959 /nfs/dbraw/zinc/52/59/59/697525959.db2.gz RVIKINWEMHUBKO-GJZGRUSLSA-N 2 1 328.526 1.597 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921181577 697525961 /nfs/dbraw/zinc/52/59/61/697525961.db2.gz RVIKINWEMHUBKO-GJZGRUSLSA-N 2 1 328.526 1.597 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921181577 697525963 /nfs/dbraw/zinc/52/59/63/697525963.db2.gz RVIKINWEMHUBKO-GJZGRUSLSA-N 2 1 328.526 1.597 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1nc(CN(C)C)cs1 ZINC000921434948 697611008 /nfs/dbraw/zinc/61/10/08/697611008.db2.gz RNCIQICONSTIKP-BXUZGUMPSA-N 2 1 337.493 1.487 20 0 EDADMP C[C@H]1C[N@@H+](CCn2cccn2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943288832 698048911 /nfs/dbraw/zinc/04/89/11/698048911.db2.gz NHUOHQJWHMNMBW-FUHWJXTLSA-N 2 1 347.507 1.442 20 0 EDADMP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729960 698063414 /nfs/dbraw/zinc/06/34/14/698063414.db2.gz XMNBMDBILHHTGA-KRWDZBQOSA-N 2 1 345.491 1.311 20 0 EDADMP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031729960 698063418 /nfs/dbraw/zinc/06/34/18/698063418.db2.gz XMNBMDBILHHTGA-KRWDZBQOSA-N 2 1 345.491 1.311 20 0 EDADMP O=C(NCC1C[NH+](CC[C@@H]2CCOC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001031730818 698093194 /nfs/dbraw/zinc/09/31/94/698093194.db2.gz ZBXSJTSMHSZYRC-VQIMIIECSA-N 2 1 349.519 1.868 20 0 EDADMP CC[C@H](C)C[NH+]1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001032077569 698185225 /nfs/dbraw/zinc/18/52/25/698185225.db2.gz AUBJVUFFAQOXLA-AWEZNQCLSA-N 2 1 327.432 1.975 20 0 EDADMP C[C@@H](F)CC[NH+]1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001032080135 698248724 /nfs/dbraw/zinc/24/87/24/698248724.db2.gz INOXIPCIRNIKEV-CYBMUJFWSA-N 2 1 331.395 1.677 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nncn2C)CC1 ZINC000940108518 700220840 /nfs/dbraw/zinc/22/08/40/700220840.db2.gz FRSICKLUEWGPOY-OAHLLOKOSA-N 2 1 348.495 1.159 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC000940120370 700253600 /nfs/dbraw/zinc/25/36/00/700253600.db2.gz NZDXUXGTTRHVKJ-GDBMZVCRSA-N 2 1 334.464 1.794 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941471074 701550006 /nfs/dbraw/zinc/55/00/06/701550006.db2.gz OUGNCFAXLMITCJ-IBGZPJMESA-N 2 1 348.535 1.345 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000446293372 699116167 /nfs/dbraw/zinc/11/61/67/699116167.db2.gz XKPSEBPFHQBHCQ-AWEZNQCLSA-N 2 1 325.416 1.060 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC000939319325 699497694 /nfs/dbraw/zinc/49/76/94/699497694.db2.gz IAXQCIXLSDMRGL-AEFFLSMTSA-N 2 1 335.492 1.646 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)co1 ZINC000939398272 699547446 /nfs/dbraw/zinc/54/74/46/699547446.db2.gz NSWFHZBUTMUHOQ-RHSMWYFYSA-N 2 1 334.464 1.651 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnon3)[C@@H](C)C2)CC1 ZINC000939449437 699581872 /nfs/dbraw/zinc/58/18/72/699581872.db2.gz XOMAGSWCSUNQKH-BBRMVZONSA-N 2 1 335.452 1.127 20 0 EDADMP CC(C)c1ocnc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939544071 699685329 /nfs/dbraw/zinc/68/53/29/699685329.db2.gz HRYXKYUKMNZJRJ-ZBFHGGJFSA-N 2 1 346.475 1.830 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1nc2c(o1)CCCC2 ZINC000939753284 699902362 /nfs/dbraw/zinc/90/23/62/699902362.db2.gz DLYCDHCBSSZUJM-HOCLYGCPSA-N 2 1 346.475 1.586 20 0 EDADMP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000940176839 700309551 /nfs/dbraw/zinc/30/95/51/700309551.db2.gz QZQWFMTZTUYZPV-JKSUJKDBSA-N 2 1 347.463 1.557 20 0 EDADMP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000940178565 700312127 /nfs/dbraw/zinc/31/21/27/700312127.db2.gz HSTAZVTZWKTJOW-CQSZACIVSA-N 2 1 349.479 1.587 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940328054 700505974 /nfs/dbraw/zinc/50/59/74/700505974.db2.gz DTDQNCGAEJDETN-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP CCn1cc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)nn1 ZINC000940328356 700506344 /nfs/dbraw/zinc/50/63/44/700506344.db2.gz HPESNJVULVNSKE-OAHLLOKOSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nc1 ZINC000940328401 700506899 /nfs/dbraw/zinc/50/68/99/700506899.db2.gz IUDKKQUIUUOXKT-JKSUJKDBSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000940328972 700507685 /nfs/dbraw/zinc/50/76/85/700507685.db2.gz PDXPIVFHCGMMDJ-GXTWGEPZSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000940329476 700509138 /nfs/dbraw/zinc/50/91/38/700509138.db2.gz UDAATMFQZHCRJG-INIZCTEOSA-N 2 1 345.491 1.740 20 0 EDADMP CCc1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995169821 701667478 /nfs/dbraw/zinc/66/74/78/701667478.db2.gz UTLVLISBSLDIAV-KGLIPLIRSA-N 2 1 347.463 1.102 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)o1 ZINC000940625095 700786843 /nfs/dbraw/zinc/78/68/43/700786843.db2.gz OSUIHQZUWVABHP-HOTGVXAUSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940625095 700786846 /nfs/dbraw/zinc/78/68/46/700786846.db2.gz OSUIHQZUWVABHP-HOTGVXAUSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940625095 700786849 /nfs/dbraw/zinc/78/68/49/700786849.db2.gz OSUIHQZUWVABHP-HOTGVXAUSA-N 2 1 334.464 1.794 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940749721 700876396 /nfs/dbraw/zinc/87/63/96/700876396.db2.gz BNMWFPOMAVHHSV-MRXNPFEDSA-N 2 1 335.496 1.685 20 0 EDADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896115 700972818 /nfs/dbraw/zinc/97/28/18/700972818.db2.gz TXOSFSWMLBHXMO-SWLSCSKDSA-N 2 1 343.431 1.038 20 0 EDADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896115 700972820 /nfs/dbraw/zinc/97/28/20/700972820.db2.gz TXOSFSWMLBHXMO-SWLSCSKDSA-N 2 1 343.431 1.038 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2cnn(C)c2)CC1(C)C ZINC000941032199 701073847 /nfs/dbraw/zinc/07/38/47/701073847.db2.gz GBRMZYKRVFOABR-WBVHZDCISA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cncn3C)CC2(C)C)C1 ZINC000941033809 701076932 /nfs/dbraw/zinc/07/69/32/701076932.db2.gz VSBGBGRHSUMPDO-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3cncn3C)CC2(C)C)C1 ZINC000941033809 701076934 /nfs/dbraw/zinc/07/69/34/701076934.db2.gz VSBGBGRHSUMPDO-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3cncn3C)CC2(C)C)C1 ZINC000941033809 701076936 /nfs/dbraw/zinc/07/69/36/701076936.db2.gz VSBGBGRHSUMPDO-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCC3CCCC3)C2)C1 ZINC001031922949 701094058 /nfs/dbraw/zinc/09/40/58/701094058.db2.gz PSBCOKWMPABHTH-GOSISDBHSA-N 2 1 337.508 1.724 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2cnccc2N(C)C)C(C)(C)C1 ZINC000941168158 701379203 /nfs/dbraw/zinc/37/92/03/701379203.db2.gz ASAPYDBNMRVNPC-MRXNPFEDSA-N 2 1 334.464 1.624 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941168158 701379204 /nfs/dbraw/zinc/37/92/04/701379204.db2.gz ASAPYDBNMRVNPC-MRXNPFEDSA-N 2 1 334.464 1.624 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941168158 701379205 /nfs/dbraw/zinc/37/92/05/701379205.db2.gz ASAPYDBNMRVNPC-MRXNPFEDSA-N 2 1 334.464 1.624 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)o1 ZINC000941215689 701401723 /nfs/dbraw/zinc/40/17/23/701401723.db2.gz AAEBMJNSGMZBKS-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941215689 701401724 /nfs/dbraw/zinc/40/17/24/701401724.db2.gz AAEBMJNSGMZBKS-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCOC2)CC1(C)C ZINC000941223902 701414355 /nfs/dbraw/zinc/41/43/55/701414355.db2.gz MYIMNIWBQKAVFB-JKSUJKDBSA-N 2 1 334.464 1.445 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)CC1(C)C ZINC000941223902 701414357 /nfs/dbraw/zinc/41/43/57/701414357.db2.gz MYIMNIWBQKAVFB-JKSUJKDBSA-N 2 1 334.464 1.445 20 0 EDADMP CC1CC(C[NH+]2CC(N3CCN(C(=O)[C@H]4CCCC[N@H+]4C)CC3)C2)C1 ZINC000941459514 701544035 /nfs/dbraw/zinc/54/40/35/701544035.db2.gz FNFVYOGXPMWNOI-FAFZWHIHSA-N 2 1 348.535 1.345 20 0 EDADMP O=C(NCC1C[NH+](CCOc2ccccc2F)C1)C12CC[NH+](CC1)C2 ZINC001032131803 701856682 /nfs/dbraw/zinc/85/66/82/701856682.db2.gz VHHHFUHPSSLAGB-UHFFFAOYSA-N 2 1 347.434 1.348 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)o1 ZINC001031975959 701932475 /nfs/dbraw/zinc/93/24/75/701932475.db2.gz CHYFKPXECQQFNW-DOMZBBRYSA-N 2 1 334.464 1.291 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)o1 ZINC001031975959 701932476 /nfs/dbraw/zinc/93/24/76/701932476.db2.gz CHYFKPXECQQFNW-DOMZBBRYSA-N 2 1 334.464 1.291 20 0 EDADMP CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000999188903 706630494 /nfs/dbraw/zinc/63/04/94/706630494.db2.gz FMIJBDCAWBYXDO-BPQIPLTHSA-N 2 1 347.507 1.366 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000999189693 706631819 /nfs/dbraw/zinc/63/18/19/706631819.db2.gz NCJYJQKIIYALSS-BZUAXINKSA-N 2 1 348.495 1.027 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000999189693 706631822 /nfs/dbraw/zinc/63/18/22/706631822.db2.gz NCJYJQKIIYALSS-BZUAXINKSA-N 2 1 348.495 1.027 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC000999190276 706633076 /nfs/dbraw/zinc/63/30/76/706633076.db2.gz PTSSVFXGMAJYQM-QLFBSQMISA-N 2 1 336.505 1.872 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031978431 702092157 /nfs/dbraw/zinc/09/21/57/702092157.db2.gz SQKGWOHNPBNARL-XHDPSFHLSA-N 2 1 336.505 1.506 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031978431 702092164 /nfs/dbraw/zinc/09/21/64/702092164.db2.gz SQKGWOHNPBNARL-XHDPSFHLSA-N 2 1 336.505 1.506 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1[NH2+]CCO ZINC000995823239 702093469 /nfs/dbraw/zinc/09/34/69/702093469.db2.gz NRYULXMCALGQNI-RDJZCZTQSA-N 2 1 337.508 1.460 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2CN(Cc3ccc(F)c(Cl)c3)C2)C1 ZINC001032183034 702153654 /nfs/dbraw/zinc/15/36/54/702153654.db2.gz YCYVBUVHILRHMC-CQSZACIVSA-N 2 1 339.842 1.979 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nccn3C)C2)CC[N@H+]1C ZINC000999203413 706648215 /nfs/dbraw/zinc/64/82/15/706648215.db2.gz BPEZVILJZABYOB-OWCLPIDISA-N 2 1 333.480 1.231 20 0 EDADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995921757 702244454 /nfs/dbraw/zinc/24/44/54/702244454.db2.gz XVTFQQFWRYRRLL-MRXNPFEDSA-N 2 1 334.464 1.794 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC001032185847 702309920 /nfs/dbraw/zinc/30/99/20/702309920.db2.gz DFASIMAVGZGPPZ-QGZVFWFLSA-N 2 1 343.471 1.259 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ocnc3C)C2)CC[N@H+]1C ZINC000999209115 706662090 /nfs/dbraw/zinc/66/20/90/706662090.db2.gz OLTHOLRXBXWKAS-OWCLPIDISA-N 2 1 334.464 1.794 20 0 EDADMP Cn1cncc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995972667 702357123 /nfs/dbraw/zinc/35/71/23/702357123.db2.gz DXMDMLFHVRFPLP-HOTGVXAUSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)co1 ZINC000944171181 702415990 /nfs/dbraw/zinc/41/59/90/702415990.db2.gz XIWDQCCZMRUPMS-CJNGLKHVSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)co1 ZINC000944171181 702415992 /nfs/dbraw/zinc/41/59/92/702415992.db2.gz XIWDQCCZMRUPMS-CJNGLKHVSA-N 2 1 332.448 1.405 20 0 EDADMP C[C@@H]1C[N@@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171647 702417466 /nfs/dbraw/zinc/41/74/66/702417466.db2.gz ZMGDOUKMCVMTGX-AEFFLSMTSA-N 2 1 349.519 1.726 20 0 EDADMP CC(C)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996074682 702464503 /nfs/dbraw/zinc/46/45/03/702464503.db2.gz WRIMJSLMFPNJNA-BHEGOAEISA-N 2 1 335.492 1.332 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995199320 702481246 /nfs/dbraw/zinc/48/12/46/702481246.db2.gz POAUKMDYUIRMEG-DOTOQJQBSA-N 2 1 344.463 1.308 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CC(C)(C)CO2)CC1 ZINC001032665846 706678715 /nfs/dbraw/zinc/67/87/15/706678715.db2.gz IVCBVSYHUMLXEG-OKZBNKHCSA-N 2 1 349.519 1.819 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)o1 ZINC000996246481 702649605 /nfs/dbraw/zinc/64/96/05/702649605.db2.gz IJZSJKCIZFYTLM-INIZCTEOSA-N 2 1 348.491 1.905 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996293103 702685409 /nfs/dbraw/zinc/68/54/09/702685409.db2.gz BICJPBYRPGRSQG-HZPDHXFCSA-N 2 1 333.480 1.194 20 0 EDADMP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)nn1C ZINC000995214680 702710817 /nfs/dbraw/zinc/71/08/17/702710817.db2.gz RYJSBYAGZJJLLV-CVEARBPZSA-N 2 1 344.463 1.308 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996384594 702748951 /nfs/dbraw/zinc/74/89/51/702748951.db2.gz ASKLZFZOSOZLCD-MRXNPFEDSA-N 2 1 349.479 1.437 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)no1 ZINC000996478105 702809839 /nfs/dbraw/zinc/80/98/39/702809839.db2.gz OYHDGYJKQVWNIA-CRAIPNDOSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996514457 702849976 /nfs/dbraw/zinc/84/99/76/702849976.db2.gz NBCXAAPLTQEMOO-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996514457 702849979 /nfs/dbraw/zinc/84/99/79/702849979.db2.gz NBCXAAPLTQEMOO-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000996608472 702912289 /nfs/dbraw/zinc/91/22/89/702912289.db2.gz CUHRUVWNLHBUNI-INIZCTEOSA-N 2 1 346.475 1.974 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996614267 702919574 /nfs/dbraw/zinc/91/95/74/702919574.db2.gz MQQNTMZKGVOUNY-HZPDHXFCSA-N 2 1 346.475 1.369 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)s1 ZINC000996614315 702919753 /nfs/dbraw/zinc/91/97/53/702919753.db2.gz MRTWBGQSOUDBFN-OLZOCXBDSA-N 2 1 337.493 1.125 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)s1 ZINC000996614315 702919755 /nfs/dbraw/zinc/91/97/55/702919755.db2.gz MRTWBGQSOUDBFN-OLZOCXBDSA-N 2 1 337.493 1.125 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCc3ccns3)C(C)(C)C2)C1 ZINC000996610004 702921199 /nfs/dbraw/zinc/92/11/99/702921199.db2.gz IVSCQZATLUISQT-UKRRQHHQSA-N 2 1 336.505 1.464 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cn(C)nc2C)CC1 ZINC000996661733 702959136 /nfs/dbraw/zinc/95/91/36/702959136.db2.gz MVBNIOXOLPNWSS-SFHVURJKSA-N 2 1 347.507 1.684 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nccn2CC)CC1 ZINC000996662741 702960436 /nfs/dbraw/zinc/96/04/36/702960436.db2.gz PRGVNWJHVLDSJS-QGZVFWFLSA-N 2 1 347.507 1.858 20 0 EDADMP CCn1cc(CC[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)cn1 ZINC000996666519 702963580 /nfs/dbraw/zinc/96/35/80/702963580.db2.gz STPVLPZVRBPZEU-UHFFFAOYSA-N 2 1 347.507 1.510 20 0 EDADMP CC1CC(C[NH2+]C2CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)CC2)C1 ZINC000996669275 702971159 /nfs/dbraw/zinc/97/11/59/702971159.db2.gz GLHASDDXRADAOI-HTWSVDAQSA-N 2 1 347.507 1.440 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996671748 702972965 /nfs/dbraw/zinc/97/29/65/702972965.db2.gz MRIRNPFXSNUBLD-INIZCTEOSA-N 2 1 349.479 1.581 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000996685861 702983630 /nfs/dbraw/zinc/98/36/30/702983630.db2.gz BDYZJPCQPUTEEP-MRXNPFEDSA-N 2 1 334.464 1.938 20 0 EDADMP Cn1cc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000996688413 702985784 /nfs/dbraw/zinc/98/57/84/702985784.db2.gz IPFSVNFCJQXFLX-QGZVFWFLSA-N 2 1 333.480 1.375 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996692864 702990278 /nfs/dbraw/zinc/99/02/78/702990278.db2.gz ZLFLHOBRKDMWMR-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccc(F)cc3)CC2)O1 ZINC000996713415 703008454 /nfs/dbraw/zinc/00/84/54/703008454.db2.gz UWHHFVVSIOUNCI-RDTXWAMCSA-N 2 1 349.450 1.625 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccc(F)cc3)CC2)O1 ZINC000996713415 703008457 /nfs/dbraw/zinc/00/84/57/703008457.db2.gz UWHHFVVSIOUNCI-RDTXWAMCSA-N 2 1 349.450 1.625 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000996715416 703010156 /nfs/dbraw/zinc/01/01/56/703010156.db2.gz FYKLNDGHMWTGKI-NVXWUHKLSA-N 2 1 347.463 1.476 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000355149666 703011324 /nfs/dbraw/zinc/01/13/24/703011324.db2.gz MOLIRIYZDITCMD-DLBZAZTESA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000355149666 703011327 /nfs/dbraw/zinc/01/13/27/703011327.db2.gz MOLIRIYZDITCMD-DLBZAZTESA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000355149666 703011329 /nfs/dbraw/zinc/01/13/29/703011329.db2.gz MOLIRIYZDITCMD-DLBZAZTESA-N 2 1 325.497 1.580 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cncc(C)c2)C[C@H]1C ZINC000942518090 703012304 /nfs/dbraw/zinc/01/23/04/703012304.db2.gz LXJDTQNDFLRZRH-QAPCUYQASA-N 2 1 341.459 1.922 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cncc(C)c2)C[C@H]1C ZINC000942518090 703012306 /nfs/dbraw/zinc/01/23/06/703012306.db2.gz LXJDTQNDFLRZRH-QAPCUYQASA-N 2 1 341.459 1.922 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N(Cc1cccnc1)C[C@@H]1CC[NH+](CCF)C1 ZINC000995257725 703017584 /nfs/dbraw/zinc/01/75/84/703017584.db2.gz LHWRERQCCIDQAN-MSOLQXFVSA-N 2 1 348.466 1.796 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N(Cc1cccnc1)C[C@@H]1CC[N@H+](CCF)C1 ZINC000995257725 703017587 /nfs/dbraw/zinc/01/75/87/703017587.db2.gz LHWRERQCCIDQAN-MSOLQXFVSA-N 2 1 348.466 1.796 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCF)C1 ZINC000995257725 703017589 /nfs/dbraw/zinc/01/75/89/703017589.db2.gz LHWRERQCCIDQAN-MSOLQXFVSA-N 2 1 348.466 1.796 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCC(F)(F)F)C[C@H]1C ZINC000942518551 703020065 /nfs/dbraw/zinc/02/00/65/703020065.db2.gz TUUALSBCGBHXIT-YPMHNXCESA-N 2 1 332.370 1.971 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCC(F)(F)F)C[C@H]1C ZINC000942518551 703020068 /nfs/dbraw/zinc/02/00/68/703020068.db2.gz TUUALSBCGBHXIT-YPMHNXCESA-N 2 1 332.370 1.971 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001032026325 703052739 /nfs/dbraw/zinc/05/27/39/703052739.db2.gz CDVXYIHQDRPDTJ-WMZOPIPTSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2CCC([NH2+]Cc3ccccn3)CC2)no1 ZINC000996764617 703053272 /nfs/dbraw/zinc/05/32/72/703053272.db2.gz PTYCUNPBXQVHJS-UHFFFAOYSA-N 2 1 343.431 1.526 20 0 EDADMP CC1CC(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CC2)C1 ZINC000996815651 703101759 /nfs/dbraw/zinc/10/17/59/703101759.db2.gz DAANUABIKNIIKD-LMFLDHGRSA-N 2 1 347.503 1.476 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cncn2C)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598053 703112695 /nfs/dbraw/zinc/11/26/95/703112695.db2.gz QRPHGTUEUHADHW-WMLDXEAASA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H]1C[N@@H+](CCc2cnn(C)c2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598174 703113312 /nfs/dbraw/zinc/11/33/12/703113312.db2.gz SLRMIWJEDBMMPV-MAUKXSAKSA-N 2 1 347.507 1.131 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]C(C)C)C1 ZINC000996852329 703131042 /nfs/dbraw/zinc/13/10/42/703131042.db2.gz YOPXDWSUSHTYFO-STQMWFEESA-N 2 1 332.370 1.826 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000996903937 703178167 /nfs/dbraw/zinc/17/81/67/703178167.db2.gz LFDYQKDMMDNNJX-QGZVFWFLSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032042627 703204059 /nfs/dbraw/zinc/20/40/59/703204059.db2.gz GWWRNYVKXDVWPD-ZWKOTPCHSA-N 2 1 345.491 1.028 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)ncn1 ZINC000996980598 703235911 /nfs/dbraw/zinc/23/59/11/703235911.db2.gz SISXEPVHCRKVDH-QAPCUYQASA-N 2 1 345.491 1.596 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)ccn1 ZINC000996995382 703251999 /nfs/dbraw/zinc/25/19/99/703251999.db2.gz OEPUMWVVFJWISN-HNNXBMFYSA-N 2 1 346.475 1.655 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997005548 703262831 /nfs/dbraw/zinc/26/28/31/703262831.db2.gz IONXAWYMDMQPHC-CQSZACIVSA-N 2 1 349.479 1.445 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997005548 703262832 /nfs/dbraw/zinc/26/28/32/703262832.db2.gz IONXAWYMDMQPHC-CQSZACIVSA-N 2 1 349.479 1.445 20 0 EDADMP CC(C)c1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)no1 ZINC000997012639 703272145 /nfs/dbraw/zinc/27/21/45/703272145.db2.gz YAYLLYCKTBHASL-ZFWWWQNUSA-N 2 1 349.479 1.471 20 0 EDADMP CC(C)c1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)no1 ZINC000997012639 703272146 /nfs/dbraw/zinc/27/21/46/703272146.db2.gz YAYLLYCKTBHASL-ZFWWWQNUSA-N 2 1 349.479 1.471 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821372 703329637 /nfs/dbraw/zinc/32/96/37/703329637.db2.gz DWVWJFWOYFJVPO-WBVHZDCISA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821372 703329638 /nfs/dbraw/zinc/32/96/38/703329638.db2.gz DWVWJFWOYFJVPO-WBVHZDCISA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccn(C)n2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821372 703329641 /nfs/dbraw/zinc/32/96/41/703329641.db2.gz DWVWJFWOYFJVPO-WBVHZDCISA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccn(C)n2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821372 703329643 /nfs/dbraw/zinc/32/96/43/703329643.db2.gz DWVWJFWOYFJVPO-WBVHZDCISA-N 2 1 347.507 1.479 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)no1 ZINC000997114864 703368085 /nfs/dbraw/zinc/36/80/85/703368085.db2.gz JEAKUYNQPCKTRZ-AWEZNQCLSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032407835 703433439 /nfs/dbraw/zinc/43/34/39/703433439.db2.gz PCCQRFJAUCHQRT-GBESFXJTSA-N 2 1 340.471 1.517 20 0 EDADMP Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032407835 703433440 /nfs/dbraw/zinc/43/34/40/703433440.db2.gz PCCQRFJAUCHQRT-GBESFXJTSA-N 2 1 340.471 1.517 20 0 EDADMP CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997181571 703466102 /nfs/dbraw/zinc/46/61/02/703466102.db2.gz BMKISMAFZRJVHI-OAHLLOKOSA-N 2 1 348.495 1.029 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000997183667 703469179 /nfs/dbraw/zinc/46/91/79/703469179.db2.gz LJJJZRHXWQLNQU-AWEZNQCLSA-N 2 1 334.439 1.643 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CCc3ccns3)CC2)C1 ZINC000997185796 703474865 /nfs/dbraw/zinc/47/48/65/703474865.db2.gz RMHCBASEOUEGFQ-AWEZNQCLSA-N 2 1 336.505 1.608 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)C1 ZINC000997188041 703477569 /nfs/dbraw/zinc/47/75/69/703477569.db2.gz YIBGXYCKCUGTOJ-OAHLLOKOSA-N 2 1 345.491 1.252 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997191904 703488889 /nfs/dbraw/zinc/48/88/89/703488889.db2.gz SKTHUUUPOQKDOY-AEFFLSMTSA-N 2 1 339.524 1.706 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000997300732 703544104 /nfs/dbraw/zinc/54/41/04/703544104.db2.gz WRZYPOAQIDXJLP-INIZCTEOSA-N 2 1 331.460 1.728 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997300509 703544285 /nfs/dbraw/zinc/54/42/85/703544285.db2.gz WJWVXWWKXCICKS-OLZOCXBDSA-N 2 1 335.452 1.225 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cc4n(n3)CCCC4)CC2)C1 ZINC000997299925 703557239 /nfs/dbraw/zinc/55/72/39/703557239.db2.gz RQDGVXUDYVORNW-HNNXBMFYSA-N 2 1 345.491 1.252 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCOC1 ZINC001032430916 703595161 /nfs/dbraw/zinc/59/51/61/703595161.db2.gz IKCNYWAZZFVSQN-BPUTZDHNSA-N 2 1 349.500 1.745 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCOC1 ZINC001032430916 703595163 /nfs/dbraw/zinc/59/51/63/703595163.db2.gz IKCNYWAZZFVSQN-BPUTZDHNSA-N 2 1 349.500 1.745 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)nc2)CC1 ZINC000997366626 703600421 /nfs/dbraw/zinc/60/04/21/703600421.db2.gz IBNGLBSVLADHLV-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997368150 703604956 /nfs/dbraw/zinc/60/49/56/703604956.db2.gz QFDCDZZWHDZLDE-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001032444159 703620970 /nfs/dbraw/zinc/62/09/70/703620970.db2.gz NNOLVGWUQDUKEL-GBESFXJTSA-N 2 1 347.503 1.881 20 0 EDADMP CC(C)=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001032444159 703620971 /nfs/dbraw/zinc/62/09/71/703620971.db2.gz NNOLVGWUQDUKEL-GBESFXJTSA-N 2 1 347.503 1.881 20 0 EDADMP CC(C)=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032444159 703620973 /nfs/dbraw/zinc/62/09/73/703620973.db2.gz NNOLVGWUQDUKEL-GBESFXJTSA-N 2 1 347.503 1.881 20 0 EDADMP CC(C)=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001032444159 703620975 /nfs/dbraw/zinc/62/09/75/703620975.db2.gz NNOLVGWUQDUKEL-GBESFXJTSA-N 2 1 347.503 1.881 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997434933 703664855 /nfs/dbraw/zinc/66/48/55/703664855.db2.gz RGLRZPDHXMXQBU-NVXWUHKLSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2nccs2)CC1 ZINC000997422789 703671327 /nfs/dbraw/zinc/67/13/27/703671327.db2.gz ZDCUHXROBHATHK-UKRRQHHQSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2nccs2)CC1 ZINC000997422789 703671328 /nfs/dbraw/zinc/67/13/28/703671328.db2.gz ZDCUHXROBHATHK-UKRRQHHQSA-N 2 1 336.505 1.812 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)C1CCCCC1)[NH+](C)C ZINC001032474874 703695844 /nfs/dbraw/zinc/69/58/44/703695844.db2.gz QEFAMVRMRGHMLW-WNRNVDISSA-N 2 1 337.508 1.553 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCOCC1 ZINC001032479873 703717047 /nfs/dbraw/zinc/71/70/47/703717047.db2.gz RVSAYRCXNVXOSO-FHWLQOOXSA-N 2 1 349.519 1.963 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCOCC1 ZINC001032479873 703717049 /nfs/dbraw/zinc/71/70/49/703717049.db2.gz RVSAYRCXNVXOSO-FHWLQOOXSA-N 2 1 349.519 1.963 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCOCC1 ZINC001032479873 703717050 /nfs/dbraw/zinc/71/70/50/703717050.db2.gz RVSAYRCXNVXOSO-FHWLQOOXSA-N 2 1 349.519 1.963 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997515121 703765032 /nfs/dbraw/zinc/76/50/32/703765032.db2.gz IUOUXVQMQDXVHB-KSSFIOAISA-N 2 1 347.507 1.539 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CCCO)CC2)CC[N@H+]1C ZINC000997596223 703885372 /nfs/dbraw/zinc/88/53/72/703885372.db2.gz LCCFGLHWHQAARP-BHYGNILZSA-N 2 1 325.497 1.316 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000997608199 703904991 /nfs/dbraw/zinc/90/49/91/703904991.db2.gz SAEPTLOBLWDJCE-MRXNPFEDSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033073405 704112662 /nfs/dbraw/zinc/11/26/62/704112662.db2.gz QFLAYXBEWPPZIH-ROUUACIJSA-N 2 1 347.507 1.634 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033073405 704112664 /nfs/dbraw/zinc/11/26/64/704112664.db2.gz QFLAYXBEWPPZIH-ROUUACIJSA-N 2 1 347.507 1.634 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033073405 704112667 /nfs/dbraw/zinc/11/26/67/704112667.db2.gz QFLAYXBEWPPZIH-ROUUACIJSA-N 2 1 347.507 1.634 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033073405 704112668 /nfs/dbraw/zinc/11/26/68/704112668.db2.gz QFLAYXBEWPPZIH-ROUUACIJSA-N 2 1 347.507 1.634 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCCO2)CC1 ZINC001032710444 706793234 /nfs/dbraw/zinc/79/32/34/706793234.db2.gz AHPYFDMAOSZSDV-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC000999302621 706805994 /nfs/dbraw/zinc/80/59/94/706805994.db2.gz IOYXDZVNTIMOGB-WMTDPASSSA-N 2 1 345.491 1.594 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999302947 706806297 /nfs/dbraw/zinc/80/62/97/706806297.db2.gz GTGXVKHNAKLLQW-IAGOWNOFSA-N 2 1 333.480 1.338 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1 ZINC000997786887 704696074 /nfs/dbraw/zinc/69/60/74/704696074.db2.gz RKHFIVGFWNJONP-RDJZCZTQSA-N 2 1 325.497 1.458 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000997819854 704740990 /nfs/dbraw/zinc/74/09/90/704740990.db2.gz DXHVWAFZKWCJOG-SFHVURJKSA-N 2 1 347.507 1.623 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2nccs2)CC1 ZINC000997862179 704770273 /nfs/dbraw/zinc/77/02/73/704770273.db2.gz ZDCUHXROBHATHK-ZFWWWQNUSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2nccs2)CC1 ZINC000997862179 704770275 /nfs/dbraw/zinc/77/02/75/704770275.db2.gz ZDCUHXROBHATHK-ZFWWWQNUSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC000997864859 704770309 /nfs/dbraw/zinc/77/03/09/704770309.db2.gz BTHRWMJXWFNIGQ-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000997863599 704770548 /nfs/dbraw/zinc/77/05/48/704770548.db2.gz BFWMKBMWJDBDOT-HNNXBMFYSA-N 2 1 337.493 1.351 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000997863599 704770551 /nfs/dbraw/zinc/77/05/51/704770551.db2.gz BFWMKBMWJDBDOT-HNNXBMFYSA-N 2 1 337.493 1.351 20 0 EDADMP CCn1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)nn1 ZINC000997866847 704772121 /nfs/dbraw/zinc/77/21/21/704772121.db2.gz VJSZVJGCRHUQPZ-QGZVFWFLSA-N 2 1 348.495 1.111 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](NC(=O)Cn2ccnc2C)[C@H](C)C1 ZINC000944965385 704835783 /nfs/dbraw/zinc/83/57/83/704835783.db2.gz RWIQYZZLQKJYGQ-DYVFJYSZSA-N 2 1 345.447 1.769 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944965385 704835792 /nfs/dbraw/zinc/83/57/92/704835792.db2.gz RWIQYZZLQKJYGQ-DYVFJYSZSA-N 2 1 345.447 1.769 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](OC)C2CCC2)CC1 ZINC000948634011 704992925 /nfs/dbraw/zinc/99/29/25/704992925.db2.gz IZEIKKIBWYPYTL-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](OC)C2CCC2)CC1 ZINC000948634011 704992927 /nfs/dbraw/zinc/99/29/27/704992927.db2.gz IZEIKKIBWYPYTL-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000945094957 705066211 /nfs/dbraw/zinc/06/62/11/705066211.db2.gz ZCHRSONJCMBIJX-QAPCUYQASA-N 2 1 333.476 1.571 20 0 EDADMP Cc1ncccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001032587068 705106561 /nfs/dbraw/zinc/10/65/61/705106561.db2.gz JYHCSZSUHNNMRI-CBVHJVASSA-N 2 1 342.487 1.905 20 0 EDADMP Cc1ncccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001032587068 705106563 /nfs/dbraw/zinc/10/65/63/705106563.db2.gz JYHCSZSUHNNMRI-CBVHJVASSA-N 2 1 342.487 1.905 20 0 EDADMP Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001032587068 705106565 /nfs/dbraw/zinc/10/65/65/705106565.db2.gz JYHCSZSUHNNMRI-CBVHJVASSA-N 2 1 342.487 1.905 20 0 EDADMP Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001032587068 705106568 /nfs/dbraw/zinc/10/65/68/705106568.db2.gz JYHCSZSUHNNMRI-CBVHJVASSA-N 2 1 342.487 1.905 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCC2)C1 ZINC001032587007 705106703 /nfs/dbraw/zinc/10/67/03/705106703.db2.gz GMVMZBZFVCEJQX-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCC2)C1 ZINC001032587007 705106707 /nfs/dbraw/zinc/10/67/07/705106707.db2.gz GMVMZBZFVCEJQX-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC2CCC2)C1 ZINC001032587007 705106711 /nfs/dbraw/zinc/10/67/11/705106711.db2.gz GMVMZBZFVCEJQX-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCC2)C1 ZINC001032587007 705106715 /nfs/dbraw/zinc/10/67/15/705106715.db2.gz GMVMZBZFVCEJQX-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP Cc1oncc1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001032587138 705108535 /nfs/dbraw/zinc/10/85/35/705108535.db2.gz NSJODPXTIBYTFO-CSFVBSKPSA-N 2 1 332.448 1.498 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000998007433 705172484 /nfs/dbraw/zinc/17/24/84/705172484.db2.gz NWKXUYBYGSVGPX-ROUUACIJSA-N 2 1 337.508 1.678 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC(C[NH2+]CC3CC3)CC1)CC2 ZINC000998019117 705198614 /nfs/dbraw/zinc/19/86/14/705198614.db2.gz WXXBICWTOLBKLA-KRWDZBQOSA-N 2 1 330.476 1.992 20 0 EDADMP Cc1conc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000998078792 705291313 /nfs/dbraw/zinc/29/13/13/705291313.db2.gz MOAWWGAIGSUYID-CJNGLKHVSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1conc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998078780 705291323 /nfs/dbraw/zinc/29/13/23/705291323.db2.gz MOAWWGAIGSUYID-BBRMVZONSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)nc1 ZINC000998080544 705306246 /nfs/dbraw/zinc/30/62/46/705306246.db2.gz DBYJZTOUIDMXJP-HNNXBMFYSA-N 2 1 345.491 1.455 20 0 EDADMP Cn1ccc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)n1 ZINC000998080543 705306388 /nfs/dbraw/zinc/30/63/88/705306388.db2.gz CZFGGLGEICHIHM-UHFFFAOYSA-N 2 1 347.507 1.480 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000998084074 705313709 /nfs/dbraw/zinc/31/37/09/705313709.db2.gz YZJLZNQMURNKNF-CRAIPNDOSA-N 2 1 330.476 1.608 20 0 EDADMP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CCC[N@@H+](CC)CC1 ZINC000998157732 705433967 /nfs/dbraw/zinc/43/39/67/705433967.db2.gz TXTMFBSRBJTEKN-KRWDZBQOSA-N 2 1 335.496 1.781 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)sn1 ZINC000998263945 705634140 /nfs/dbraw/zinc/63/41/40/705634140.db2.gz COASMIBKHSBUEF-OAHLLOKOSA-N 2 1 336.505 1.731 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000998266045 705637989 /nfs/dbraw/zinc/63/79/89/705637989.db2.gz OOFDEAVYAHCASJ-SWLSCSKDSA-N 2 1 335.452 1.219 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000998266045 705637991 /nfs/dbraw/zinc/63/79/91/705637991.db2.gz OOFDEAVYAHCASJ-SWLSCSKDSA-N 2 1 335.452 1.219 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC000998268028 705639290 /nfs/dbraw/zinc/63/92/90/705639290.db2.gz CUDHPYAEFVNHAQ-UHFFFAOYSA-N 2 1 331.420 1.516 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC000998269940 705647336 /nfs/dbraw/zinc/64/73/36/705647336.db2.gz ROVNKTPIVIHIEH-MJGOQNOKSA-N 2 1 346.475 1.446 20 0 EDADMP O=C([C@H]1CCCc2nc[nH]c21)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032620342 705668753 /nfs/dbraw/zinc/66/87/53/705668753.db2.gz CAGLUUWTQFVBLA-JYJNAYRXSA-N 2 1 344.459 1.541 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000998286133 705681176 /nfs/dbraw/zinc/68/11/76/705681176.db2.gz GGQFEHOIMAKYOD-GOSISDBHSA-N 2 1 347.507 1.623 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000998286225 705681847 /nfs/dbraw/zinc/68/18/47/705681847.db2.gz JBLHGQNWDBHDTH-IYBDPMFKSA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)c1ccccc1F)[NH+](C)C ZINC001032633536 705860340 /nfs/dbraw/zinc/86/03/40/705860340.db2.gz QQISZPWGKJYOLI-USJZOSNVSA-N 2 1 349.450 1.484 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)c1ccccc1F)[NH+](C)C ZINC001032633536 705860345 /nfs/dbraw/zinc/86/03/45/705860345.db2.gz QQISZPWGKJYOLI-USJZOSNVSA-N 2 1 349.450 1.484 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ccncc2Cl)C1 ZINC000998548348 705983920 /nfs/dbraw/zinc/98/39/20/705983920.db2.gz GRCMTOVJLVULHP-ZBCRRDGASA-N 2 1 336.867 1.908 20 0 EDADMP CC(C)n1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC000998552881 705990764 /nfs/dbraw/zinc/99/07/64/705990764.db2.gz UOXBREXFDILFGP-AVVWSFFYSA-N 2 1 334.468 1.032 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)sn1 ZINC000998719446 706151339 /nfs/dbraw/zinc/15/13/39/706151339.db2.gz FVWQFTNMRJMDKW-TZMCWYRMSA-N 2 1 338.477 1.327 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2coc(C3CC3)n2)C1 ZINC000998734958 706168504 /nfs/dbraw/zinc/16/85/04/706168504.db2.gz YGHJDZBBTXCWTH-GDBMZVCRSA-N 2 1 332.448 1.727 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000998734958 706168509 /nfs/dbraw/zinc/16/85/09/706168509.db2.gz YGHJDZBBTXCWTH-GDBMZVCRSA-N 2 1 332.448 1.727 20 0 EDADMP Cc1ccnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000998762880 706201514 /nfs/dbraw/zinc/20/15/14/706201514.db2.gz IYVZIBOREYPJJK-OFLPRAFFSA-N 2 1 345.491 1.737 20 0 EDADMP Cc1ccnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000998762880 706201518 /nfs/dbraw/zinc/20/15/18/706201518.db2.gz IYVZIBOREYPJJK-OFLPRAFFSA-N 2 1 345.491 1.737 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000998764503 706203704 /nfs/dbraw/zinc/20/37/04/706203704.db2.gz RVOUNNPAJDNSDS-DAWZGUTISA-N 2 1 337.508 1.865 20 0 EDADMP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000998790741 706237466 /nfs/dbraw/zinc/23/74/66/706237466.db2.gz DLTOAJOXNKDBFO-BOSFTKNMSA-N 2 1 331.464 1.204 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000998822130 706268955 /nfs/dbraw/zinc/26/89/55/706268955.db2.gz FXJVWQLFJKUIOT-ROUUACIJSA-N 2 1 335.492 1.788 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000998822130 706268959 /nfs/dbraw/zinc/26/89/59/706268959.db2.gz FXJVWQLFJKUIOT-ROUUACIJSA-N 2 1 335.492 1.788 20 0 EDADMP Cc1ccc(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000998825224 706271712 /nfs/dbraw/zinc/27/17/12/706271712.db2.gz MEVFDMRJICQUKH-RTBURBONSA-N 2 1 345.487 1.449 20 0 EDADMP Cc1ccc(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000998825224 706271713 /nfs/dbraw/zinc/27/17/13/706271713.db2.gz MEVFDMRJICQUKH-RTBURBONSA-N 2 1 345.487 1.449 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998866478 706295959 /nfs/dbraw/zinc/29/59/59/706295959.db2.gz JWXFUZINRYILOQ-VMBOVVBDSA-N 2 1 333.480 1.374 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnnn2C)C1 ZINC000999035168 706450236 /nfs/dbraw/zinc/45/02/36/706450236.db2.gz IWKAFBUDVLVFAM-VMBOVVBDSA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000999144742 706558641 /nfs/dbraw/zinc/55/86/41/706558641.db2.gz NIWVFXNIMPMPOO-NVXWUHKLSA-N 2 1 333.480 1.374 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000999318345 706826543 /nfs/dbraw/zinc/82/65/43/706826543.db2.gz ROPPMGIFNCXRKM-INIZCTEOSA-N 2 1 330.436 1.165 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000999372726 706866989 /nfs/dbraw/zinc/86/69/89/706866989.db2.gz PBQQBDHDNZJFFN-DZGCQCFKSA-N 2 1 345.472 1.998 20 0 EDADMP Cn1nccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000999376220 706870521 /nfs/dbraw/zinc/87/05/21/706870521.db2.gz VDQMMDMXKAHJGA-ZBFHGGJFSA-N 2 1 342.447 1.275 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999368107 706881771 /nfs/dbraw/zinc/88/17/71/706881771.db2.gz FUFSXCBEBUQASO-PBHICJAKSA-N 2 1 347.463 1.557 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999368107 706881772 /nfs/dbraw/zinc/88/17/72/706881772.db2.gz FUFSXCBEBUQASO-PBHICJAKSA-N 2 1 347.463 1.557 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999398125 706892922 /nfs/dbraw/zinc/89/29/22/706892922.db2.gz CKCSXIXBGHWSTD-CABCVRRESA-N 2 1 335.452 1.333 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999398125 706892925 /nfs/dbraw/zinc/89/29/25/706892925.db2.gz CKCSXIXBGHWSTD-CABCVRRESA-N 2 1 335.452 1.333 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](NCc2nncs2)C1 ZINC000999398480 706893072 /nfs/dbraw/zinc/89/30/72/706893072.db2.gz FGKAMIZTUUSIBN-ZIAGYGMSSA-N 2 1 337.493 1.493 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000999398480 706893075 /nfs/dbraw/zinc/89/30/75/706893075.db2.gz FGKAMIZTUUSIBN-ZIAGYGMSSA-N 2 1 337.493 1.493 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000999398480 706893081 /nfs/dbraw/zinc/89/30/81/706893081.db2.gz FGKAMIZTUUSIBN-ZIAGYGMSSA-N 2 1 337.493 1.493 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000999407421 706916945 /nfs/dbraw/zinc/91/69/45/706916945.db2.gz UUCBCIVDXUAGQK-IGEOTXOUSA-N 2 1 334.439 1.784 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nncs2)C1)[NH+](C)C ZINC000999426122 706933342 /nfs/dbraw/zinc/93/33/42/706933342.db2.gz WVLDVKQLTLBTIW-OCCSQVGLSA-N 2 1 325.482 1.205 20 0 EDADMP CCc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999509591 707007135 /nfs/dbraw/zinc/00/71/35/707007135.db2.gz JOTWHCSFHMDYFB-WBVHZDCISA-N 2 1 334.464 1.802 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)o1 ZINC000999512421 707011122 /nfs/dbraw/zinc/01/11/22/707011122.db2.gz PPKUAWMKVDWVTK-CVEARBPZSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1C ZINC000999515129 707014222 /nfs/dbraw/zinc/01/42/22/707014222.db2.gz XJRLFFDCDQAKIP-NVXWUHKLSA-N 2 1 333.480 1.293 20 0 EDADMP C[C@H]([NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1)c1ncccn1 ZINC000999600385 707101403 /nfs/dbraw/zinc/10/14/03/707101403.db2.gz AAKCSIXIMARMRT-GTPINHCMSA-N 2 1 345.491 1.849 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038555397 707179921 /nfs/dbraw/zinc/17/99/21/707179921.db2.gz LWDHXMGJEVHRCV-RDJZCZTQSA-N 2 1 333.476 1.630 20 0 EDADMP O=C(c1ccc2cncn2c1)N1CCC[C@@H](NCc2cnsn2)C1 ZINC000999709354 707301691 /nfs/dbraw/zinc/30/16/91/707301691.db2.gz SPWFWAGMVQJPMP-CYBMUJFWSA-N 2 1 342.428 1.580 20 0 EDADMP C[C@@H](NCc1cn(C)nn1)[C@H]1CCCCN1C(=O)CCc1ncc[nH]1 ZINC001004847360 707443609 /nfs/dbraw/zinc/44/36/09/707443609.db2.gz MYHMFBXKXITBOK-UKRRQHHQSA-N 2 1 345.451 1.030 20 0 EDADMP O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946800842 707452978 /nfs/dbraw/zinc/45/29/78/707452978.db2.gz NOMGUNYGSFVAAJ-OAGGEKHMSA-N 2 1 332.448 1.159 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)cn2)C1 ZINC000999877065 707526247 /nfs/dbraw/zinc/52/62/47/707526247.db2.gz YBKSDVHMQAHZTO-OFLPRAFFSA-N 2 1 345.491 1.738 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)cn2)C1 ZINC000999877065 707526251 /nfs/dbraw/zinc/52/62/51/707526251.db2.gz YBKSDVHMQAHZTO-OFLPRAFFSA-N 2 1 345.491 1.738 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)cn2)C1 ZINC000999877063 707526290 /nfs/dbraw/zinc/52/62/90/707526290.db2.gz YBKSDVHMQAHZTO-JCYILVPMSA-N 2 1 345.491 1.738 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)cn2)C1 ZINC000999877063 707526294 /nfs/dbraw/zinc/52/62/94/707526294.db2.gz YBKSDVHMQAHZTO-JCYILVPMSA-N 2 1 345.491 1.738 20 0 EDADMP C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004923932 707662483 /nfs/dbraw/zinc/66/24/83/707662483.db2.gz FICWICRQBXDIKS-CJNGLKHVSA-N 2 1 335.452 1.271 20 0 EDADMP O=C(C1CC[NH+](CC2CC2)CC1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCOC1 ZINC001032725355 707711717 /nfs/dbraw/zinc/71/17/17/707711717.db2.gz RFAVSCLXOGJXOP-WDSOQIARSA-N 2 1 347.503 1.430 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2cccs2)C1 ZINC001032731887 707735243 /nfs/dbraw/zinc/73/52/43/707735243.db2.gz RRHAEMDWJATYIX-JYJNAYRXSA-N 2 1 333.501 1.918 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2cccs2)C1 ZINC001032731887 707735245 /nfs/dbraw/zinc/73/52/45/707735245.db2.gz RRHAEMDWJATYIX-JYJNAYRXSA-N 2 1 333.501 1.918 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2cccs2)C1 ZINC001032731887 707735248 /nfs/dbraw/zinc/73/52/48/707735248.db2.gz RRHAEMDWJATYIX-JYJNAYRXSA-N 2 1 333.501 1.918 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)c1 ZINC001033420707 707831744 /nfs/dbraw/zinc/83/17/44/707831744.db2.gz RXYDRKAUNCZISX-MAUKXSAKSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC001033420707 707831746 /nfs/dbraw/zinc/83/17/46/707831746.db2.gz RXYDRKAUNCZISX-MAUKXSAKSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)c1 ZINC001033420707 707831748 /nfs/dbraw/zinc/83/17/48/707831748.db2.gz RXYDRKAUNCZISX-MAUKXSAKSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)c1 ZINC001033420707 707831750 /nfs/dbraw/zinc/83/17/50/707831750.db2.gz RXYDRKAUNCZISX-MAUKXSAKSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1nonc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004984777 707833162 /nfs/dbraw/zinc/83/31/62/707833162.db2.gz XWLHFOYQZJEUKH-GOEBONIOSA-N 2 1 347.463 1.333 20 0 EDADMP Cc1cnc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)nc1 ZINC001004996089 707887087 /nfs/dbraw/zinc/88/70/87/707887087.db2.gz ZDPZUYRMRVXSMN-IAGOWNOFSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476354 707937722 /nfs/dbraw/zinc/93/77/22/707937722.db2.gz WRGHXRGSYLEIFL-QGZVFWFLSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476354 707937724 /nfs/dbraw/zinc/93/77/24/707937724.db2.gz WRGHXRGSYLEIFL-QGZVFWFLSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)C2)cc1F ZINC001032781540 707968809 /nfs/dbraw/zinc/96/88/09/707968809.db2.gz YWRAUGCHTSXXRY-IKGGRYGDSA-N 2 1 331.435 1.871 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032785040 707989104 /nfs/dbraw/zinc/98/91/04/707989104.db2.gz TYUBHTNIKASESA-SZMVWBNQSA-N 2 1 335.492 1.430 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032785040 707989107 /nfs/dbraw/zinc/98/91/07/707989107.db2.gz TYUBHTNIKASESA-SZMVWBNQSA-N 2 1 335.492 1.430 20 0 EDADMP Cc1cc(C[NH+]2CC=C(CNC(=O)[C@H]3CCCC[N@H+]3C)CC2)on1 ZINC001000852101 708072894 /nfs/dbraw/zinc/07/28/94/708072894.db2.gz QVCKVMXHIKRTIZ-QGZVFWFLSA-N 2 1 332.448 1.716 20 0 EDADMP Cc1cc(C[NH+]2CC=C(CNC(=O)[C@H]3CCCC[N@@H+]3C)CC2)on1 ZINC001000852101 708072895 /nfs/dbraw/zinc/07/28/95/708072895.db2.gz QVCKVMXHIKRTIZ-QGZVFWFLSA-N 2 1 332.448 1.716 20 0 EDADMP Cc1cc(C[N@H+]2CC=C(CNC(=O)[C@H]3CCCC[NH+]3C)CC2)on1 ZINC001000852101 708072896 /nfs/dbraw/zinc/07/28/96/708072896.db2.gz QVCKVMXHIKRTIZ-QGZVFWFLSA-N 2 1 332.448 1.716 20 0 EDADMP Cc1cc(C[N@@H+]2CC=C(CNC(=O)[C@H]3CCCC[NH+]3C)CC2)on1 ZINC001000852101 708072897 /nfs/dbraw/zinc/07/28/97/708072897.db2.gz QVCKVMXHIKRTIZ-QGZVFWFLSA-N 2 1 332.448 1.716 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001112343 708101176 /nfs/dbraw/zinc/10/11/76/708101176.db2.gz GEJRCCQAZDDJJN-UHFFFAOYSA-N 2 1 342.487 1.980 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CCCOC1)C2 ZINC001040532715 708111938 /nfs/dbraw/zinc/11/19/38/708111938.db2.gz ZLNVHVIDEUBSQR-AZUAARDMSA-N 2 1 349.519 1.823 20 0 EDADMP Cc1cncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001005179294 708121787 /nfs/dbraw/zinc/12/17/87/708121787.db2.gz MCRPRLSSIGBWLJ-SFHVURJKSA-N 2 1 330.476 1.907 20 0 EDADMP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033545960 708209044 /nfs/dbraw/zinc/20/90/44/708209044.db2.gz SDLWDUDTVGFDON-PBHICJAKSA-N 2 1 343.431 1.449 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033545960 708209047 /nfs/dbraw/zinc/20/90/47/708209047.db2.gz SDLWDUDTVGFDON-PBHICJAKSA-N 2 1 343.431 1.449 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)ncn1 ZINC001033582740 708266538 /nfs/dbraw/zinc/26/65/38/708266538.db2.gz QFOUSPKMXAGRHZ-WBVHZDCISA-N 2 1 331.464 1.160 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)ncn1 ZINC001033582740 708266541 /nfs/dbraw/zinc/26/65/41/708266541.db2.gz QFOUSPKMXAGRHZ-WBVHZDCISA-N 2 1 331.464 1.160 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001033582740 708266543 /nfs/dbraw/zinc/26/65/43/708266543.db2.gz QFOUSPKMXAGRHZ-WBVHZDCISA-N 2 1 331.464 1.160 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001033582740 708266546 /nfs/dbraw/zinc/26/65/46/708266546.db2.gz QFOUSPKMXAGRHZ-WBVHZDCISA-N 2 1 331.464 1.160 20 0 EDADMP CC[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1)OC ZINC001033586561 708277311 /nfs/dbraw/zinc/27/73/11/708277311.db2.gz WRLXSKMSHTYZAP-CABCVRRESA-N 2 1 334.464 1.719 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1)OC ZINC001033586561 708277316 /nfs/dbraw/zinc/27/73/16/708277316.db2.gz WRLXSKMSHTYZAP-CABCVRRESA-N 2 1 334.464 1.719 20 0 EDADMP COc1ccnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001033592494 708290962 /nfs/dbraw/zinc/29/09/62/708290962.db2.gz HTJLFLRIYDPVCG-MRXNPFEDSA-N 2 1 344.459 1.219 20 0 EDADMP COc1ccnc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001033592494 708290966 /nfs/dbraw/zinc/29/09/66/708290966.db2.gz HTJLFLRIYDPVCG-MRXNPFEDSA-N 2 1 344.459 1.219 20 0 EDADMP Cc1nsc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593324 708293173 /nfs/dbraw/zinc/29/31/73/708293173.db2.gz KQHIITYTPUFFEY-OAHLLOKOSA-N 2 1 348.516 1.888 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1)C1CCCC1 ZINC001033594447 708296290 /nfs/dbraw/zinc/29/62/90/708296290.db2.gz QHFUSERRSMMPIR-ROUUACIJSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033595608 708299786 /nfs/dbraw/zinc/29/97/86/708299786.db2.gz VESQOXWTNGTVGM-OAHLLOKOSA-N 2 1 348.516 1.623 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033583646 708307610 /nfs/dbraw/zinc/30/76/10/708307610.db2.gz XGIJXQPWGRITJS-MSOLQXFVSA-N 2 1 347.507 1.374 20 0 EDADMP C[C@@H](c1nncn1C)[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001794176 708308940 /nfs/dbraw/zinc/30/89/40/708308940.db2.gz CEUHEAFQARKNLC-AWEZNQCLSA-N 2 1 348.495 1.046 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001001835653 708340171 /nfs/dbraw/zinc/34/01/71/708340171.db2.gz YVDBIDXOICRLDS-QAPCUYQASA-N 2 1 330.476 1.608 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001001832314 708358213 /nfs/dbraw/zinc/35/82/13/708358213.db2.gz DMLPQLPHRUEXGN-KSSFIOAISA-N 2 1 348.466 1.747 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001001832314 708358217 /nfs/dbraw/zinc/35/82/17/708358217.db2.gz DMLPQLPHRUEXGN-KSSFIOAISA-N 2 1 348.466 1.747 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC001033664781 708447003 /nfs/dbraw/zinc/44/70/03/708447003.db2.gz IMVUPRPBXHQLFZ-QGZVFWFLSA-N 2 1 327.432 1.628 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC001033664781 708447005 /nfs/dbraw/zinc/44/70/05/708447005.db2.gz IMVUPRPBXHQLFZ-QGZVFWFLSA-N 2 1 327.432 1.628 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001033667041 708453307 /nfs/dbraw/zinc/45/33/07/708453307.db2.gz CVJUJXPZOPNNHE-DLBZAZTESA-N 2 1 334.464 1.541 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001033667041 708453309 /nfs/dbraw/zinc/45/33/09/708453309.db2.gz CVJUJXPZOPNNHE-DLBZAZTESA-N 2 1 334.464 1.541 20 0 EDADMP CO[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1)C1CCC1 ZINC001033667617 708454960 /nfs/dbraw/zinc/45/49/60/708454960.db2.gz ILRMRBWQRUSVPT-DLBZAZTESA-N 2 1 334.464 1.539 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1)C1CCC1 ZINC001033667617 708454963 /nfs/dbraw/zinc/45/49/63/708454963.db2.gz ILRMRBWQRUSVPT-DLBZAZTESA-N 2 1 334.464 1.539 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC001033659091 708470573 /nfs/dbraw/zinc/47/05/73/708470573.db2.gz BLJLAEZFVIDPSE-NVXWUHKLSA-N 2 1 349.450 1.302 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC001033659091 708470575 /nfs/dbraw/zinc/47/05/75/708470575.db2.gz BLJLAEZFVIDPSE-NVXWUHKLSA-N 2 1 349.450 1.302 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(CO)ccc2F)C1 ZINC001033659091 708470576 /nfs/dbraw/zinc/47/05/76/708470576.db2.gz BLJLAEZFVIDPSE-NVXWUHKLSA-N 2 1 349.450 1.302 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(CO)ccc2F)C1 ZINC001033659091 708470579 /nfs/dbraw/zinc/47/05/79/708470579.db2.gz BLJLAEZFVIDPSE-NVXWUHKLSA-N 2 1 349.450 1.302 20 0 EDADMP CCc1onc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033659579 708471570 /nfs/dbraw/zinc/47/15/70/708471570.db2.gz DHKAZTXGXSWDBY-LSDHHAIUSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033659579 708471572 /nfs/dbraw/zinc/47/15/72/708471572.db2.gz DHKAZTXGXSWDBY-LSDHHAIUSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033659579 708471574 /nfs/dbraw/zinc/47/15/74/708471574.db2.gz DHKAZTXGXSWDBY-LSDHHAIUSA-N 2 1 334.464 1.530 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033686179 708500195 /nfs/dbraw/zinc/50/01/95/708500195.db2.gz OCFRKEKHHCZTKZ-QZTJIDSGSA-N 2 1 330.476 1.989 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033686179 708500197 /nfs/dbraw/zinc/50/01/97/708500197.db2.gz OCFRKEKHHCZTKZ-QZTJIDSGSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033686179 708500199 /nfs/dbraw/zinc/50/01/99/708500199.db2.gz OCFRKEKHHCZTKZ-QZTJIDSGSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033686179 708500200 /nfs/dbraw/zinc/50/02/00/708500200.db2.gz OCFRKEKHHCZTKZ-QZTJIDSGSA-N 2 1 330.476 1.989 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)nn1C ZINC001002043084 708533268 /nfs/dbraw/zinc/53/32/68/708533268.db2.gz LDYQQZIXPYFRCK-UHFFFAOYSA-N 2 1 345.491 1.153 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)C1 ZINC001002119582 708632829 /nfs/dbraw/zinc/63/28/29/708632829.db2.gz BPLUPPAYRGQUJV-MRXNPFEDSA-N 2 1 346.475 1.832 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)C1 ZINC001002119582 708632831 /nfs/dbraw/zinc/63/28/31/708632831.db2.gz BPLUPPAYRGQUJV-MRXNPFEDSA-N 2 1 346.475 1.832 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001002128122 708644683 /nfs/dbraw/zinc/64/46/83/708644683.db2.gz UYGOFNJDTPTWLQ-WBVHZDCISA-N 2 1 345.491 1.626 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001033833889 708860296 /nfs/dbraw/zinc/86/02/96/708860296.db2.gz LWFIKYIMDQPFML-KBAYOESNSA-N 2 1 347.507 1.226 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033833889 708860300 /nfs/dbraw/zinc/86/03/00/708860300.db2.gz LWFIKYIMDQPFML-KBAYOESNSA-N 2 1 347.507 1.226 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033833889 708860305 /nfs/dbraw/zinc/86/03/05/708860305.db2.gz LWFIKYIMDQPFML-KBAYOESNSA-N 2 1 347.507 1.226 20 0 EDADMP CCCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033837616 708867059 /nfs/dbraw/zinc/86/70/59/708867059.db2.gz MUEYPEKOUQOSMG-INIZCTEOSA-N 2 1 335.496 1.781 20 0 EDADMP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC001033884311 708987971 /nfs/dbraw/zinc/98/79/71/708987971.db2.gz YPVKFSNEUOJEIU-HOCLYGCPSA-N 2 1 330.432 1.906 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC001002481494 709032099 /nfs/dbraw/zinc/03/20/99/709032099.db2.gz ULMXAMSQHLUEGY-GOSISDBHSA-N 2 1 331.460 1.870 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cnnn2C)CC1 ZINC001005475021 709111559 /nfs/dbraw/zinc/11/15/59/709111559.db2.gz GHGCYPGWDFCXOF-KRWDZBQOSA-N 2 1 348.495 1.112 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cnnn2C)CC1 ZINC001005475021 709111561 /nfs/dbraw/zinc/11/15/61/709111561.db2.gz GHGCYPGWDFCXOF-KRWDZBQOSA-N 2 1 348.495 1.112 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2oc(C)nc2C)C1 ZINC001034039323 709272432 /nfs/dbraw/zinc/27/24/32/709272432.db2.gz HQYYEBPFLWCLSQ-HZPDHXFCSA-N 2 1 334.464 1.666 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2oc(C)nc2C)C1 ZINC001034039323 709272434 /nfs/dbraw/zinc/27/24/34/709272434.db2.gz HQYYEBPFLWCLSQ-HZPDHXFCSA-N 2 1 334.464 1.666 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2oc(C)nc2C)C1 ZINC001034039323 709272436 /nfs/dbraw/zinc/27/24/36/709272436.db2.gz HQYYEBPFLWCLSQ-HZPDHXFCSA-N 2 1 334.464 1.666 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCn2nc(C)cc2C)C1 ZINC001034039402 709272488 /nfs/dbraw/zinc/27/24/88/709272488.db2.gz IISCJJJYAQGKHX-ROUUACIJSA-N 2 1 347.507 1.374 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001034039402 709272492 /nfs/dbraw/zinc/27/24/92/709272492.db2.gz IISCJJJYAQGKHX-ROUUACIJSA-N 2 1 347.507 1.374 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001034039402 709272495 /nfs/dbraw/zinc/27/24/95/709272495.db2.gz IISCJJJYAQGKHX-ROUUACIJSA-N 2 1 347.507 1.374 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H](N(CC)C(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034040392 709273568 /nfs/dbraw/zinc/27/35/68/709273568.db2.gz TXTPAEVOQXDZJO-HZPDHXFCSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@@H](N(CC)C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001034040392 709273570 /nfs/dbraw/zinc/27/35/70/709273570.db2.gz TXTPAEVOQXDZJO-HZPDHXFCSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@@H](N(CC)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034040392 709273573 /nfs/dbraw/zinc/27/35/73/709273573.db2.gz TXTPAEVOQXDZJO-HZPDHXFCSA-N 2 1 348.491 1.920 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001034040143 709273823 /nfs/dbraw/zinc/27/38/23/709273823.db2.gz PMEUHFFEFLLMFP-KBPBESRZSA-N 2 1 337.493 1.221 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001034040143 709273824 /nfs/dbraw/zinc/27/38/24/709273824.db2.gz PMEUHFFEFLLMFP-KBPBESRZSA-N 2 1 337.493 1.221 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2snnc2C)C1 ZINC001034040143 709273828 /nfs/dbraw/zinc/27/38/28/709273828.db2.gz PMEUHFFEFLLMFP-KBPBESRZSA-N 2 1 337.493 1.221 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2snnc2C)C1 ZINC001034040143 709273830 /nfs/dbraw/zinc/27/38/30/709273830.db2.gz PMEUHFFEFLLMFP-KBPBESRZSA-N 2 1 337.493 1.221 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCC[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001002861191 709464540 /nfs/dbraw/zinc/46/45/40/709464540.db2.gz VNKVDHTZXBONOG-JFIYKMOQSA-N 2 1 337.508 1.724 20 0 EDADMP CCCC[N@H+]1CCCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034211295 709562282 /nfs/dbraw/zinc/56/22/82/709562282.db2.gz ZDWBVTBGPFSFOG-INIZCTEOSA-N 2 1 335.496 1.829 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(C)no2)CC1 ZINC001002953753 709653681 /nfs/dbraw/zinc/65/36/81/709653681.db2.gz CAMNAIKRNSHLBF-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(C)no2)CC1 ZINC001002953753 709653683 /nfs/dbraw/zinc/65/36/83/709653683.db2.gz CAMNAIKRNSHLBF-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCN(Cc2coc(C)n2)CC1 ZINC001002955283 709656473 /nfs/dbraw/zinc/65/64/73/709656473.db2.gz JGBQOWWROQDNER-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP COC(=O)c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(F)c1 ZINC000922097760 709681913 /nfs/dbraw/zinc/68/19/13/709681913.db2.gz COQYJIDBCMWZQB-UHFFFAOYSA-N 2 1 337.439 1.728 20 0 EDADMP COC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001002994404 709742252 /nfs/dbraw/zinc/74/22/52/709742252.db2.gz HGTQZOSGJQMCKJ-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP COC[C@@H](C)[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309887 709752572 /nfs/dbraw/zinc/75/25/72/709752572.db2.gz PQVZQWKPCXBZGU-GDBMZVCRSA-N 2 1 330.432 1.954 20 0 EDADMP C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034311401 709756074 /nfs/dbraw/zinc/75/60/74/709756074.db2.gz GFYGVFAGGVAVOL-CABCVRRESA-N 2 1 334.464 1.113 20 0 EDADMP C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034311401 709756077 /nfs/dbraw/zinc/75/60/77/709756077.db2.gz GFYGVFAGGVAVOL-CABCVRRESA-N 2 1 334.464 1.113 20 0 EDADMP CC[C@@H](C(=O)N1CCC[C@@H](N(C)c2cc(C)[nH+]c(C)n2)C1)[NH+](C)C ZINC001061221083 709788582 /nfs/dbraw/zinc/78/85/82/709788582.db2.gz SZWYZZUHBKLJSD-CVEARBPZSA-N 2 1 333.480 1.861 20 0 EDADMP COC[C@@H](C)[N@H+]1CCCC[C@@H](NC(=O)c2occc2CN(C)C)C1 ZINC001034364487 709884182 /nfs/dbraw/zinc/88/41/82/709884182.db2.gz KPTVAOMMZXZCQN-GDBMZVCRSA-N 2 1 337.464 1.960 20 0 EDADMP COC[C@@H](C)[N@@H+]1CCCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364487 709884188 /nfs/dbraw/zinc/88/41/88/709884188.db2.gz KPTVAOMMZXZCQN-GDBMZVCRSA-N 2 1 337.464 1.960 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CCCC[N@H+](CCCO)C1)CC2 ZINC001034365784 709888073 /nfs/dbraw/zinc/88/80/73/709888073.db2.gz URTWJXRGNUOSKW-CVEARBPZSA-N 2 1 334.464 1.107 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1)CC2 ZINC001034365784 709888075 /nfs/dbraw/zinc/88/80/75/709888075.db2.gz URTWJXRGNUOSKW-CVEARBPZSA-N 2 1 334.464 1.107 20 0 EDADMP Cn1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)cn1 ZINC001034394407 709931004 /nfs/dbraw/zinc/93/10/04/709931004.db2.gz NDHDAHNFGPIZCC-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)cn1 ZINC001034394407 709931010 /nfs/dbraw/zinc/93/10/10/709931010.db2.gz NDHDAHNFGPIZCC-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)cn1 ZINC001034394407 709931015 /nfs/dbraw/zinc/93/10/15/709931015.db2.gz NDHDAHNFGPIZCC-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)cn1 ZINC001034394407 709931018 /nfs/dbraw/zinc/93/10/18/709931018.db2.gz NDHDAHNFGPIZCC-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CCc2cnn(C)c2)C1 ZINC001034397708 709938973 /nfs/dbraw/zinc/93/89/73/709938973.db2.gz KLFNDCKRNMUMQS-WMZOPIPTSA-N 2 1 347.507 1.418 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CCc2cnn(C)c2)C1 ZINC001034397708 709938976 /nfs/dbraw/zinc/93/89/76/709938976.db2.gz KLFNDCKRNMUMQS-WMZOPIPTSA-N 2 1 347.507 1.418 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CCc2cnn(C)c2)C1 ZINC001034397708 709938979 /nfs/dbraw/zinc/93/89/79/709938979.db2.gz KLFNDCKRNMUMQS-WMZOPIPTSA-N 2 1 347.507 1.418 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001034398645 709940318 /nfs/dbraw/zinc/94/03/18/709940318.db2.gz PBRVQIOSIJXHDJ-IRXDYDNUSA-N 2 1 337.508 1.726 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](C[C@@H]3CCOC3)C2)C1 ZINC001034398645 709940322 /nfs/dbraw/zinc/94/03/22/709940322.db2.gz PBRVQIOSIJXHDJ-IRXDYDNUSA-N 2 1 337.508 1.726 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](C[C@@H]3CCOC3)C2)C1 ZINC001034398645 709940326 /nfs/dbraw/zinc/94/03/26/709940326.db2.gz PBRVQIOSIJXHDJ-IRXDYDNUSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)cc1 ZINC001034445075 709989974 /nfs/dbraw/zinc/98/99/74/709989974.db2.gz PNFSBMKUORDJPN-SFHVURJKSA-N 2 1 333.476 1.715 20 0 EDADMP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001034431767 709999993 /nfs/dbraw/zinc/99/99/93/709999993.db2.gz NZEHMYPUENMQBQ-ROUUACIJSA-N 2 1 337.508 1.726 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CCOC2CCC2)C1)C12CC[NH+](CC1)C2 ZINC001034490748 710109900 /nfs/dbraw/zinc/10/99/00/710109900.db2.gz MEOYXWQWGJOCLP-MRXNPFEDSA-N 2 1 335.492 1.622 20 0 EDADMP COc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)ccn1 ZINC001034525393 710175458 /nfs/dbraw/zinc/17/54/58/710175458.db2.gz LXRUSGLVFCVHRP-IAGOWNOFSA-N 2 1 346.475 1.513 20 0 EDADMP COc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)ccn1 ZINC001034525393 710175461 /nfs/dbraw/zinc/17/54/61/710175461.db2.gz LXRUSGLVFCVHRP-IAGOWNOFSA-N 2 1 346.475 1.513 20 0 EDADMP COc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC001034525393 710175465 /nfs/dbraw/zinc/17/54/65/710175465.db2.gz LXRUSGLVFCVHRP-IAGOWNOFSA-N 2 1 346.475 1.513 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCc3ccns3)C2)C1 ZINC001034526089 710177580 /nfs/dbraw/zinc/17/75/80/710177580.db2.gz UAQISDRPZKQIDI-HUUCEWRRSA-N 2 1 336.505 1.608 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCc3ccns3)C2)C1 ZINC001034526089 710177583 /nfs/dbraw/zinc/17/75/83/710177583.db2.gz UAQISDRPZKQIDI-HUUCEWRRSA-N 2 1 336.505 1.608 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCc3ccns3)C2)C1 ZINC001034526089 710177585 /nfs/dbraw/zinc/17/75/85/710177585.db2.gz UAQISDRPZKQIDI-HUUCEWRRSA-N 2 1 336.505 1.608 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC(C)C)C2)C1 ZINC001034534119 710194998 /nfs/dbraw/zinc/19/49/98/710194998.db2.gz IAOMSMVCWMKDLH-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC(C)C)C2)C1 ZINC001034534119 710194999 /nfs/dbraw/zinc/19/49/99/710194999.db2.gz IAOMSMVCWMKDLH-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCC(C)C)C2)C1 ZINC001034534119 710195002 /nfs/dbraw/zinc/19/50/02/710195002.db2.gz IAOMSMVCWMKDLH-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCC(C)C)C2)C1 ZINC001034534119 710195004 /nfs/dbraw/zinc/19/50/04/710195004.db2.gz IAOMSMVCWMKDLH-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC001034607072 710270454 /nfs/dbraw/zinc/27/04/54/710270454.db2.gz KELBNMXVFLZXRZ-TUVASFSCSA-N 2 1 348.495 1.539 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nn1 ZINC001034648049 710324662 /nfs/dbraw/zinc/32/46/62/710324662.db2.gz WFMVMSKEFKICPV-KCYZZUKISA-N 2 1 348.495 1.155 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001034654580 710329574 /nfs/dbraw/zinc/32/95/74/710329574.db2.gz YJOYGFPCDYBSEV-XLAORIBOSA-N 2 1 335.492 1.667 20 0 EDADMP C[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001003492324 710375153 /nfs/dbraw/zinc/37/51/53/710375153.db2.gz GHGXKOWWJAWZEW-YJBOKZPZSA-N 2 1 337.508 1.745 20 0 EDADMP O=C(NC1CC[NH+](CCCO)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001003495352 710380808 /nfs/dbraw/zinc/38/08/08/710380808.db2.gz WMVFDGCDOJKITH-GOSISDBHSA-N 2 1 337.508 1.747 20 0 EDADMP Cc1cncc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)c1 ZINC001003624086 710453513 /nfs/dbraw/zinc/45/35/13/710453513.db2.gz LAMKUCAPAXTNEW-MRXNPFEDSA-N 2 1 330.476 1.955 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001003633790 710461951 /nfs/dbraw/zinc/46/19/51/710461951.db2.gz HWFPSOZFSUFQIJ-RHSMWYFYSA-N 2 1 346.475 1.369 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001003633790 710461953 /nfs/dbraw/zinc/46/19/53/710461953.db2.gz HWFPSOZFSUFQIJ-RHSMWYFYSA-N 2 1 346.475 1.369 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccn2C)CC1 ZINC001034658775 710587587 /nfs/dbraw/zinc/58/75/87/710587587.db2.gz FSHBCJJNSJEIRK-ULQDDVLXSA-N 2 1 347.507 1.812 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001005594450 710655861 /nfs/dbraw/zinc/65/58/61/710655861.db2.gz YVLRRXKDRBPQQG-ROUUACIJSA-N 2 1 337.508 1.963 20 0 EDADMP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)CC2)on1 ZINC001034693053 710783246 /nfs/dbraw/zinc/78/32/46/710783246.db2.gz TXSKJZHNRKEXRJ-HDJSIYSDSA-N 2 1 347.419 1.405 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)co1 ZINC001034733432 710913729 /nfs/dbraw/zinc/91/37/29/710913729.db2.gz BZXJDWVDESCQDL-FVQBIDKESA-N 2 1 334.464 1.842 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC001034734472 710916598 /nfs/dbraw/zinc/91/65/98/710916598.db2.gz PCGPXIHUQZDLGG-KKUMJFAQSA-N 2 1 349.479 1.491 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC001034734472 710916602 /nfs/dbraw/zinc/91/66/02/710916602.db2.gz PCGPXIHUQZDLGG-KKUMJFAQSA-N 2 1 349.479 1.491 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@@H]3CCOC3)CC2)C1 ZINC001034734657 710916935 /nfs/dbraw/zinc/91/69/35/710916935.db2.gz URYPVRGVYVUMIA-BRSBDYLESA-N 2 1 337.508 1.772 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC001034734875 710917777 /nfs/dbraw/zinc/91/77/77/710917777.db2.gz BDLIXZYCVKWZLN-KKUMJFAQSA-N 2 1 349.479 1.633 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC001034734875 710917779 /nfs/dbraw/zinc/91/77/79/710917779.db2.gz BDLIXZYCVKWZLN-KKUMJFAQSA-N 2 1 349.479 1.633 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034739165 710932795 /nfs/dbraw/zinc/93/27/95/710932795.db2.gz YKZBHRXMERRFTB-MWQQHZPXSA-N 2 1 345.491 1.500 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034738284 710953587 /nfs/dbraw/zinc/95/35/87/710953587.db2.gz SLJHNAIZDLCFAD-OSMBCOQSSA-N 2 1 334.464 1.698 20 0 EDADMP COc1ccc(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032959185 710982939 /nfs/dbraw/zinc/98/29/39/710982939.db2.gz FHPROFBAIOISNH-IEBWSBKVSA-N 2 1 345.487 1.865 20 0 EDADMP COc1ccc(CC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001032959185 710982942 /nfs/dbraw/zinc/98/29/42/710982942.db2.gz FHPROFBAIOISNH-IEBWSBKVSA-N 2 1 345.487 1.865 20 0 EDADMP COc1ccc(CC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001032959185 710982945 /nfs/dbraw/zinc/98/29/45/710982945.db2.gz FHPROFBAIOISNH-IEBWSBKVSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)c1nncn1C ZINC001034776359 711052011 /nfs/dbraw/zinc/05/20/11/711052011.db2.gz QIDKSWUJUJTPIG-KLHDSHLOSA-N 2 1 348.495 1.235 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1nncn1C ZINC001034776360 711052270 /nfs/dbraw/zinc/05/22/70/711052270.db2.gz QIDKSWUJUJTPIG-QKPAOTATSA-N 2 1 348.495 1.235 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001034785211 711086616 /nfs/dbraw/zinc/08/66/16/711086616.db2.gz RURFXUCRHLRAPL-DWRORGKVSA-N 2 1 335.492 1.526 20 0 EDADMP Cc1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032978111 711096634 /nfs/dbraw/zinc/09/66/34/711096634.db2.gz XGVWPWVLFGEHPG-ROUUACIJSA-N 2 1 331.460 1.358 20 0 EDADMP Cc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032978111 711096636 /nfs/dbraw/zinc/09/66/36/711096636.db2.gz XGVWPWVLFGEHPG-ROUUACIJSA-N 2 1 331.460 1.358 20 0 EDADMP Cc1ccccc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032978111 711096640 /nfs/dbraw/zinc/09/66/40/711096640.db2.gz XGVWPWVLFGEHPG-ROUUACIJSA-N 2 1 331.460 1.358 20 0 EDADMP Cc1ccccc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032978111 711096643 /nfs/dbraw/zinc/09/66/43/711096643.db2.gz XGVWPWVLFGEHPG-ROUUACIJSA-N 2 1 331.460 1.358 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC001034795187 711113040 /nfs/dbraw/zinc/11/30/40/711113040.db2.gz VFDXFQBMHGWBED-WKILWMFISA-N 2 1 344.463 1.625 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034792093 711118181 /nfs/dbraw/zinc/11/81/81/711118181.db2.gz DUUAGOYAUUVSDB-FAAHXZRKSA-N 2 1 335.452 1.408 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034792093 711118184 /nfs/dbraw/zinc/11/81/84/711118184.db2.gz DUUAGOYAUUVSDB-FAAHXZRKSA-N 2 1 335.452 1.408 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003966949 711136857 /nfs/dbraw/zinc/13/68/57/711136857.db2.gz GUAGZIBMTCARHA-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003966949 711136860 /nfs/dbraw/zinc/13/68/60/711136860.db2.gz GUAGZIBMTCARHA-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH2+]CC3CCC3)cc2)C1 ZINC001034810695 711171517 /nfs/dbraw/zinc/17/15/17/711171517.db2.gz HZKQGQXGHHPQFX-SFHVURJKSA-N 2 1 331.460 1.523 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH2+]CC3CCC3)cc2)C1 ZINC001034810695 711171518 /nfs/dbraw/zinc/17/15/18/711171518.db2.gz HZKQGQXGHHPQFX-SFHVURJKSA-N 2 1 331.460 1.523 20 0 EDADMP CC[C@@H](C[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1)OC ZINC001003983978 711184342 /nfs/dbraw/zinc/18/43/42/711184342.db2.gz XQXIXTAYFYQFJT-HNNXBMFYSA-N 2 1 334.464 1.767 20 0 EDADMP CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001034885275 711289878 /nfs/dbraw/zinc/28/98/78/711289878.db2.gz RWBMPFZICZUDCU-OLZOCXBDSA-N 2 1 337.493 1.275 20 0 EDADMP CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC001034885275 711289880 /nfs/dbraw/zinc/28/98/80/711289880.db2.gz RWBMPFZICZUDCU-OLZOCXBDSA-N 2 1 337.493 1.275 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnns1 ZINC001034935649 711363826 /nfs/dbraw/zinc/36/38/26/711363826.db2.gz BJJCWFOMAHLRCS-HIFRSBDPSA-N 2 1 337.493 1.492 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001034955026 711421848 /nfs/dbraw/zinc/42/18/48/711421848.db2.gz YFHRLAGSHHKTNP-MSOLQXFVSA-N 2 1 347.507 1.684 20 0 EDADMP COc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001034957734 711429757 /nfs/dbraw/zinc/42/97/57/711429757.db2.gz HGDKAVIZLOPKDS-QGZVFWFLSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sn1 ZINC001034939662 711442368 /nfs/dbraw/zinc/44/23/68/711442368.db2.gz JSRVQHBALFQWMI-IIAWOOMASA-N 2 1 336.505 1.872 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2coc(C)n2)CC[N@@H+]1C ZINC001034941505 711446130 /nfs/dbraw/zinc/44/61/30/711446130.db2.gz SGUWFJZZUWFKGW-IXDOHACOSA-N 2 1 334.464 1.794 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2coc(C)n2)CC[N@H+]1C ZINC001034941505 711446131 /nfs/dbraw/zinc/44/61/31/711446131.db2.gz SGUWFJZZUWFKGW-IXDOHACOSA-N 2 1 334.464 1.794 20 0 EDADMP O=C(N1CCC[C@@H]1C[NH2+]Cc1cnon1)C12CCC[NH+](CCC1)C2 ZINC001034969595 711448987 /nfs/dbraw/zinc/44/89/87/711448987.db2.gz IEJSGYFRDMHYNE-OAHLLOKOSA-N 2 1 333.436 1.026 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004140951 711540354 /nfs/dbraw/zinc/54/03/54/711540354.db2.gz AVFRMFNNMLQEIA-KRWDZBQOSA-N 2 1 344.503 1.785 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922519028 711648788 /nfs/dbraw/zinc/64/87/88/711648788.db2.gz LDLMGPMFUKHSGX-RRFJBIMHSA-N 2 1 328.526 1.594 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922519028 711648789 /nfs/dbraw/zinc/64/87/89/711648789.db2.gz LDLMGPMFUKHSGX-RRFJBIMHSA-N 2 1 328.526 1.594 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000922519028 711648791 /nfs/dbraw/zinc/64/87/91/711648791.db2.gz LDLMGPMFUKHSGX-RRFJBIMHSA-N 2 1 328.526 1.594 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004475594 711854942 /nfs/dbraw/zinc/85/49/42/711854942.db2.gz VAWRCDOTYSBUGI-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004475594 711854943 /nfs/dbraw/zinc/85/49/43/711854943.db2.gz VAWRCDOTYSBUGI-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001004475594 711854945 /nfs/dbraw/zinc/85/49/45/711854945.db2.gz VAWRCDOTYSBUGI-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001004475594 711854947 /nfs/dbraw/zinc/85/49/47/711854947.db2.gz VAWRCDOTYSBUGI-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004476050 711855713 /nfs/dbraw/zinc/85/57/13/711855713.db2.gz BSGRMGMGKADNIU-WMZOPIPTSA-N 2 1 349.519 1.699 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033127874 711878800 /nfs/dbraw/zinc/87/88/00/711878800.db2.gz XUSJDKNABVZUDU-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033127874 711878801 /nfs/dbraw/zinc/87/88/01/711878801.db2.gz XUSJDKNABVZUDU-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033127874 711878803 /nfs/dbraw/zinc/87/88/03/711878803.db2.gz XUSJDKNABVZUDU-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033127874 711878804 /nfs/dbraw/zinc/87/88/04/711878804.db2.gz XUSJDKNABVZUDU-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccnn3C)C2)C1 ZINC001033143585 711952771 /nfs/dbraw/zinc/95/27/71/711952771.db2.gz IOSKBRGKVZLFSH-IRXDYDNUSA-N 2 1 347.507 1.431 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccnn3C)C2)C1 ZINC001033143585 711952772 /nfs/dbraw/zinc/95/27/72/711952772.db2.gz IOSKBRGKVZLFSH-IRXDYDNUSA-N 2 1 347.507 1.431 20 0 EDADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccnn3C)C2)C1 ZINC001033143585 711952776 /nfs/dbraw/zinc/95/27/76/711952776.db2.gz IOSKBRGKVZLFSH-IRXDYDNUSA-N 2 1 347.507 1.431 20 0 EDADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccnn3C)C2)C1 ZINC001033143585 711952780 /nfs/dbraw/zinc/95/27/80/711952780.db2.gz IOSKBRGKVZLFSH-IRXDYDNUSA-N 2 1 347.507 1.431 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004576475 712004022 /nfs/dbraw/zinc/00/40/22/712004022.db2.gz MTHMEWIWPJCMGQ-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004576475 712004023 /nfs/dbraw/zinc/00/40/23/712004023.db2.gz MTHMEWIWPJCMGQ-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP CN(C(=O)[C@@H]1CCCc2nccn21)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033152000 712144944 /nfs/dbraw/zinc/14/49/44/712144944.db2.gz NITAZEOTTYVFHZ-WBVHZDCISA-N 2 1 346.475 1.862 20 0 EDADMP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033152000 712144946 /nfs/dbraw/zinc/14/49/46/712144946.db2.gz NITAZEOTTYVFHZ-WBVHZDCISA-N 2 1 346.475 1.862 20 0 EDADMP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946677453 712369257 /nfs/dbraw/zinc/36/92/57/712369257.db2.gz ATUHUIRKXAGPSZ-YESZJQIVSA-N 2 1 334.464 1.397 20 0 EDADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946677453 712369260 /nfs/dbraw/zinc/36/92/60/712369260.db2.gz ATUHUIRKXAGPSZ-YESZJQIVSA-N 2 1 334.464 1.397 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000557570742 306229766 /nfs/dbraw/zinc/22/97/66/306229766.db2.gz QWICOZIPNVKDEQ-GOSISDBHSA-N 2 1 345.487 1.736 20 0 EDADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC000181746786 529605694 /nfs/dbraw/zinc/60/56/94/529605694.db2.gz MKWWBKDVRVDZTI-ZBFHGGJFSA-N 2 1 325.478 1.859 20 0 EDADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC000181746786 529605695 /nfs/dbraw/zinc/60/56/95/529605695.db2.gz MKWWBKDVRVDZTI-ZBFHGGJFSA-N 2 1 325.478 1.859 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NCC2(C)CC[NH2+]CC2)c2ccccc2)CC1 ZINC000183311675 529776216 /nfs/dbraw/zinc/77/62/16/529776216.db2.gz OMFULPANKAPLFE-SFHVURJKSA-N 2 1 344.503 1.481 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)[nH]c1=O ZINC000101518447 219129991 /nfs/dbraw/zinc/12/99/91/219129991.db2.gz ZKCIUVYUZKNOCV-OAHLLOKOSA-N 2 1 334.464 1.171 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@](C)(O)C2)CC1 ZINC000177986658 232050994 /nfs/dbraw/zinc/05/09/94/232050994.db2.gz QDUMAYQPSNAVJY-HXUWFJFHSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC000177986658 232050996 /nfs/dbraw/zinc/05/09/96/232050996.db2.gz QDUMAYQPSNAVJY-HXUWFJFHSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@](C)(O)C2)CC1 ZINC000177986658 232051000 /nfs/dbraw/zinc/05/10/00/232051000.db2.gz QDUMAYQPSNAVJY-HXUWFJFHSA-N 2 1 345.487 1.486 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000336875005 282389337 /nfs/dbraw/zinc/38/93/37/282389337.db2.gz ZSHLVLVZKJNGFA-IRXDYDNUSA-N 2 1 343.537 1.322 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000336875005 282389340 /nfs/dbraw/zinc/38/93/40/282389340.db2.gz ZSHLVLVZKJNGFA-IRXDYDNUSA-N 2 1 343.537 1.322 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000336875005 282389347 /nfs/dbraw/zinc/38/93/47/282389347.db2.gz ZSHLVLVZKJNGFA-IRXDYDNUSA-N 2 1 343.537 1.322 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000348000607 282388878 /nfs/dbraw/zinc/38/88/78/282388878.db2.gz XSDVMSXLAPEZEZ-SJORKVTESA-N 2 1 334.508 1.844 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000348000607 282388879 /nfs/dbraw/zinc/38/88/79/282388879.db2.gz XSDVMSXLAPEZEZ-SJORKVTESA-N 2 1 334.508 1.844 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000348000607 282388880 /nfs/dbraw/zinc/38/88/80/282388880.db2.gz XSDVMSXLAPEZEZ-SJORKVTESA-N 2 1 334.508 1.844 20 0 EDADMP CCC(CC)[C@H](CNC(=O)NCC[N@@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000101978729 219178324 /nfs/dbraw/zinc/17/83/24/219178324.db2.gz OWOUJLSTGONMGB-KRWDZBQOSA-N 2 1 342.528 1.763 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC([NH+](C)C)CC1 ZINC000330345013 539550879 /nfs/dbraw/zinc/55/08/79/539550879.db2.gz DQEVMNMFUAEWGW-UHFFFAOYSA-N 2 1 330.436 1.389 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000561165586 306283554 /nfs/dbraw/zinc/28/35/54/306283554.db2.gz JCYJZDUOVPBESG-NZSAHSFTSA-N 2 1 344.503 1.930 20 0 EDADMP O=S1(=O)CCCN1c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000248734832 539691419 /nfs/dbraw/zinc/69/14/19/539691419.db2.gz DMPSEETYWDCCJF-SJORKVTESA-N 2 1 349.500 1.943 20 0 EDADMP O=S1(=O)CCCN1c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000248734832 539691423 /nfs/dbraw/zinc/69/14/23/539691423.db2.gz DMPSEETYWDCCJF-SJORKVTESA-N 2 1 349.500 1.943 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000151485746 539755561 /nfs/dbraw/zinc/75/55/61/539755561.db2.gz CNIOZKPPMAMOAD-GOEBONIOSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000151485746 539755565 /nfs/dbraw/zinc/75/55/65/539755565.db2.gz CNIOZKPPMAMOAD-GOEBONIOSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H](O)CN2CCC3(CCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000343777238 539796387 /nfs/dbraw/zinc/79/63/87/539796387.db2.gz XVCYSMJHARUACF-BBWFWOEESA-N 2 1 325.497 1.017 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC3(CCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000343777238 539796391 /nfs/dbraw/zinc/79/63/91/539796391.db2.gz XVCYSMJHARUACF-BBWFWOEESA-N 2 1 325.497 1.017 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC3(CCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000343777238 539796395 /nfs/dbraw/zinc/79/63/95/539796395.db2.gz XVCYSMJHARUACF-BBWFWOEESA-N 2 1 325.497 1.017 20 0 EDADMP CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000104215236 219362262 /nfs/dbraw/zinc/36/22/62/219362262.db2.gz UKHZNBMBKRJWNL-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104520364 219393530 /nfs/dbraw/zinc/39/35/30/219393530.db2.gz ZZNZQKFUGWOSJN-MRXNPFEDSA-N 2 1 332.448 1.613 20 0 EDADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000352922388 539928938 /nfs/dbraw/zinc/92/89/38/539928938.db2.gz REGBFPXYDWKEPZ-NGIXTJRHSA-N 2 1 325.497 1.014 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412780744 304036877 /nfs/dbraw/zinc/03/68/77/304036877.db2.gz REXJHCFEOYIUJI-KRWDZBQOSA-N 2 1 331.460 1.224 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)NCC2=CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000373223873 283051271 /nfs/dbraw/zinc/05/12/71/283051271.db2.gz MFDXZGWESGHVGR-QZTJIDSGSA-N 2 1 328.460 1.993 20 0 EDADMP C[NH+]1CC[C@@H](NC(=O)NCC2=CC[N@H+](C)CC2)[C@H]1c1ccccc1 ZINC000373223873 283051273 /nfs/dbraw/zinc/05/12/73/283051273.db2.gz MFDXZGWESGHVGR-QZTJIDSGSA-N 2 1 328.460 1.993 20 0 EDADMP C[NH+]1CC[C@@H](NC(=O)NCC2=CC[N@@H+](C)CC2)[C@H]1c1ccccc1 ZINC000373223873 283051276 /nfs/dbraw/zinc/05/12/76/283051276.db2.gz MFDXZGWESGHVGR-QZTJIDSGSA-N 2 1 328.460 1.993 20 0 EDADMP O=S(=O)(CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)NCc1ccccc1 ZINC000178953971 540114115 /nfs/dbraw/zinc/11/41/15/540114115.db2.gz PIKLMBGHRWKKAS-IAGOWNOFSA-N 2 1 337.489 1.322 20 0 EDADMP O=S(=O)(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)NCc1ccccc1 ZINC000178953971 540114120 /nfs/dbraw/zinc/11/41/20/540114120.db2.gz PIKLMBGHRWKKAS-IAGOWNOFSA-N 2 1 337.489 1.322 20 0 EDADMP O=S(=O)(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)NCc1ccccc1 ZINC000178953971 540114126 /nfs/dbraw/zinc/11/41/26/540114126.db2.gz PIKLMBGHRWKKAS-IAGOWNOFSA-N 2 1 337.489 1.322 20 0 EDADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000377082384 291062635 /nfs/dbraw/zinc/06/26/35/291062635.db2.gz NDEBVHBVUVCDHU-YQVWRLOYSA-N 2 1 336.524 1.645 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184228290 235340962 /nfs/dbraw/zinc/34/09/62/235340962.db2.gz FFLYSYLEEMUBCM-UHFFFAOYSA-N 2 1 338.540 1.676 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417809240 283169733 /nfs/dbraw/zinc/16/97/33/283169733.db2.gz GOIFMKLLUJGVLH-OAHLLOKOSA-N 2 1 326.485 1.115 20 0 EDADMP C[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563521180 306336835 /nfs/dbraw/zinc/33/68/35/306336835.db2.gz CHEOILJHGMPCNM-ZMSDIMECSA-N 2 1 334.464 1.312 20 0 EDADMP C[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563521180 306336836 /nfs/dbraw/zinc/33/68/36/306336836.db2.gz CHEOILJHGMPCNM-ZMSDIMECSA-N 2 1 334.464 1.312 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000563559204 306338780 /nfs/dbraw/zinc/33/87/80/306338780.db2.gz LFAOCBKVTMECTC-HZPDHXFCSA-N 2 1 338.496 1.400 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000563560591 306339038 /nfs/dbraw/zinc/33/90/38/306339038.db2.gz JQTQYVIJJHKZSO-CVEARBPZSA-N 2 1 346.475 1.411 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2cccc(C[NH+](C)C(C)C)c2)C1 ZINC000081377601 138266314 /nfs/dbraw/zinc/26/63/14/138266314.db2.gz RVKCBRWBCMDGRC-GOSISDBHSA-N 2 1 333.476 1.864 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCc2cccc(C[NH+](C)C(C)C)c2)C1 ZINC000081377601 138266315 /nfs/dbraw/zinc/26/63/15/138266315.db2.gz RVKCBRWBCMDGRC-GOSISDBHSA-N 2 1 333.476 1.864 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000081377601 138266316 /nfs/dbraw/zinc/26/63/16/138266316.db2.gz RVKCBRWBCMDGRC-GOSISDBHSA-N 2 1 333.476 1.864 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000081377601 138266317 /nfs/dbraw/zinc/26/63/17/138266317.db2.gz RVKCBRWBCMDGRC-GOSISDBHSA-N 2 1 333.476 1.864 20 0 EDADMP C[N@@H+](CC(=O)NC(N)=O)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726598 138300474 /nfs/dbraw/zinc/30/04/74/138300474.db2.gz GOXCNKFPUWFQHR-UHFFFAOYSA-N 2 1 332.448 1.415 20 0 EDADMP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000093133456 138291908 /nfs/dbraw/zinc/29/19/08/138291908.db2.gz NJHIGALNFLDTHN-INIZCTEOSA-N 2 1 333.524 1.757 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CS1 ZINC000413735176 304075500 /nfs/dbraw/zinc/07/55/00/304075500.db2.gz XJNZUPKMJZAIRU-KBPBESRZSA-N 2 1 328.526 1.548 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CS1 ZINC000413735176 304075502 /nfs/dbraw/zinc/07/55/02/304075502.db2.gz XJNZUPKMJZAIRU-KBPBESRZSA-N 2 1 328.526 1.548 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1)CC2 ZINC000565074248 306374805 /nfs/dbraw/zinc/37/48/05/306374805.db2.gz QQPUXHBKXTYCKG-YQQAZPJKSA-N 2 1 348.491 1.760 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000565836621 306393180 /nfs/dbraw/zinc/39/31/80/306393180.db2.gz RIWLFGUAGMDDNJ-KCITZHQASA-N 2 1 345.487 1.780 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000565836621 306393181 /nfs/dbraw/zinc/39/31/81/306393181.db2.gz RIWLFGUAGMDDNJ-KCITZHQASA-N 2 1 345.487 1.780 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000565945038 306394942 /nfs/dbraw/zinc/39/49/42/306394942.db2.gz CCXLRLBXMUGNMK-HZSPNIEDSA-N 2 1 343.518 1.346 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](COCc3ccccc3)C2)C1 ZINC000414713024 304131533 /nfs/dbraw/zinc/13/15/33/304131533.db2.gz VEDIQHMARJVOQD-OALUTQOASA-N 2 1 345.487 1.722 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414713617 304131553 /nfs/dbraw/zinc/13/15/53/304131553.db2.gz VZBZGUZMHHYQBY-AWEZNQCLSA-N 2 1 344.459 1.119 20 0 EDADMP C[C@@H]1C[C@H](C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414722601 304132897 /nfs/dbraw/zinc/13/28/97/304132897.db2.gz MUSPXAZIYJRCCI-BRWVUGGUSA-N 3 1 331.508 1.752 20 0 EDADMP C[C@@H]1C[C@H](CN(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414722601 304132899 /nfs/dbraw/zinc/13/28/99/304132899.db2.gz MUSPXAZIYJRCCI-BRWVUGGUSA-N 2 1 331.508 1.752 20 0 EDADMP COCCOc1ccccc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414780889 304140097 /nfs/dbraw/zinc/14/00/97/304140097.db2.gz MCNCVOVXFXFJCD-KRWDZBQOSA-N 2 1 334.460 1.899 20 0 EDADMP C[C@H]([NH3+])c1ccc(NCc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000414816492 304144396 /nfs/dbraw/zinc/14/43/96/304144396.db2.gz XFUYWXLXSCREGX-AWEZNQCLSA-N 2 1 326.448 1.860 20 0 EDADMP FC(F)n1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414989562 304148883 /nfs/dbraw/zinc/14/88/83/304148883.db2.gz QPHWIXWSDJKMNY-SNVBAGLBSA-N 2 1 327.301 1.204 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000415029520 304152026 /nfs/dbraw/zinc/15/20/26/304152026.db2.gz DROQYXNEQRVJCD-DOTOQJQBSA-N 2 1 344.459 1.287 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)cn2)CC1 ZINC000415028215 304152058 /nfs/dbraw/zinc/15/20/58/304152058.db2.gz YHYAAQLBTQVCMP-WKILWMFISA-N 3 1 332.496 1.083 20 0 EDADMP C[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@@H](O)C[NH3+] ZINC000415068907 304156737 /nfs/dbraw/zinc/15/67/37/304156737.db2.gz NVOAMIJEVXWZMI-INIZCTEOSA-N 2 1 329.448 1.812 20 0 EDADMP C[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@@H](O)C[NH3+] ZINC000415068907 304156738 /nfs/dbraw/zinc/15/67/38/304156738.db2.gz NVOAMIJEVXWZMI-INIZCTEOSA-N 2 1 329.448 1.812 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000415139069 304163589 /nfs/dbraw/zinc/16/35/89/304163589.db2.gz HXXIWCBJRPOGEB-WWGRRREGSA-N 2 1 330.432 1.340 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000415146368 304164633 /nfs/dbraw/zinc/16/46/33/304164633.db2.gz YMCOCGNDVIEUOP-GDBMZVCRSA-N 2 1 344.459 1.430 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000236740540 139030095 /nfs/dbraw/zinc/03/00/95/139030095.db2.gz LVNDAUBGNZWYSA-RTBURBONSA-N 2 1 346.519 1.999 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000236740540 139030096 /nfs/dbraw/zinc/03/00/96/139030096.db2.gz LVNDAUBGNZWYSA-RTBURBONSA-N 2 1 346.519 1.999 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000236740540 139030097 /nfs/dbraw/zinc/03/00/97/139030097.db2.gz LVNDAUBGNZWYSA-RTBURBONSA-N 2 1 346.519 1.999 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000237215020 139044576 /nfs/dbraw/zinc/04/45/76/139044576.db2.gz AJVXXFKTLVTFOA-SFHVURJKSA-N 2 1 330.476 1.192 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000237214393 139044632 /nfs/dbraw/zinc/04/46/32/139044632.db2.gz SOAXLGATSLWSHQ-MRXNPFEDSA-N 2 1 336.505 1.874 20 0 EDADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496207844 284347387 /nfs/dbraw/zinc/34/73/87/284347387.db2.gz RXGJFTPIKPOOKD-YJBOKZPZSA-N 2 1 343.512 1.878 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496207844 284347388 /nfs/dbraw/zinc/34/73/88/284347388.db2.gz RXGJFTPIKPOOKD-YJBOKZPZSA-N 2 1 343.512 1.878 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496207844 284347389 /nfs/dbraw/zinc/34/73/89/284347389.db2.gz RXGJFTPIKPOOKD-YJBOKZPZSA-N 2 1 343.512 1.878 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496207844 284347390 /nfs/dbraw/zinc/34/73/90/284347390.db2.gz RXGJFTPIKPOOKD-YJBOKZPZSA-N 2 1 343.512 1.878 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000111230961 220116644 /nfs/dbraw/zinc/11/66/44/220116644.db2.gz MIFPHIDJPIEZSX-WOJBJXKFSA-N 2 1 331.504 1.692 20 0 EDADMP O=C(CC1CC[NH2+]CC1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237828084 139061435 /nfs/dbraw/zinc/06/14/35/139061435.db2.gz OMNNNVUGKWIFIA-UHFFFAOYSA-N 2 1 348.466 1.454 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000111796245 220191585 /nfs/dbraw/zinc/19/15/85/220191585.db2.gz WKONMJMLSDZMTE-LSDHHAIUSA-N 2 1 338.452 1.292 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000111796245 220191586 /nfs/dbraw/zinc/19/15/86/220191586.db2.gz WKONMJMLSDZMTE-LSDHHAIUSA-N 2 1 338.452 1.292 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000415239389 304177596 /nfs/dbraw/zinc/17/75/96/304177596.db2.gz ATCNOWDIHZXVNN-KUHUBIRLSA-N 2 1 344.459 1.589 20 0 EDADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415258256 304179914 /nfs/dbraw/zinc/17/99/14/304179914.db2.gz KTJCIJCBTHSBSM-CZUORRHYSA-N 2 1 332.448 1.588 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415258256 304179915 /nfs/dbraw/zinc/17/99/15/304179915.db2.gz KTJCIJCBTHSBSM-CZUORRHYSA-N 2 1 332.448 1.588 20 0 EDADMP CN(C)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000245699944 139083570 /nfs/dbraw/zinc/08/35/70/139083570.db2.gz NCLBLUNJNCXZQP-ZWKOTPCHSA-N 2 1 333.476 1.642 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000245699944 139083571 /nfs/dbraw/zinc/08/35/71/139083571.db2.gz NCLBLUNJNCXZQP-ZWKOTPCHSA-N 2 1 333.476 1.642 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000245699944 139083572 /nfs/dbraw/zinc/08/35/72/139083572.db2.gz NCLBLUNJNCXZQP-ZWKOTPCHSA-N 2 1 333.476 1.642 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000567822539 306464551 /nfs/dbraw/zinc/46/45/51/306464551.db2.gz AOIIFDMEWRIEAX-OTWHNJEPSA-N 2 1 343.471 1.633 20 0 EDADMP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000246188678 139098393 /nfs/dbraw/zinc/09/83/93/139098393.db2.gz IEDHEHCYHAZBGZ-MOPGFXCFSA-N 2 1 345.487 1.614 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)cn2cc[nH+]c12 ZINC000568071981 306471424 /nfs/dbraw/zinc/47/14/24/306471424.db2.gz GRCDSYXMGHAYLV-UHFFFAOYSA-N 2 1 329.404 1.169 20 0 EDADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415342707 304198622 /nfs/dbraw/zinc/19/86/22/304198622.db2.gz JUTYJQBXDHORQG-AWEZNQCLSA-N 2 1 344.459 1.082 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000247649773 139153300 /nfs/dbraw/zinc/15/33/00/139153300.db2.gz WHFDKLOCZIDKGN-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000247649773 139153301 /nfs/dbraw/zinc/15/33/01/139153301.db2.gz WHFDKLOCZIDKGN-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000247649773 139153302 /nfs/dbraw/zinc/15/33/02/139153302.db2.gz WHFDKLOCZIDKGN-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP CO[C@H](C)C[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000248414404 139162652 /nfs/dbraw/zinc/16/26/52/139162652.db2.gz GYCDEAPJRMGNBB-MSOLQXFVSA-N 2 1 332.492 1.951 20 0 EDADMP CC[C@H]1C[C@@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCO1 ZINC000248548583 139167079 /nfs/dbraw/zinc/16/70/79/139167079.db2.gz JWKYZQQZSFDXOJ-FSGLHJGXSA-N 2 1 349.519 1.961 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3OCCOC)C2)CC1 ZINC000093133219 218196212 /nfs/dbraw/zinc/19/62/12/218196212.db2.gz SXGRCBLPIFICFO-IBGZPJMESA-N 2 1 347.503 1.924 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)[C@@H](C)C1 ZINC000249397838 139192736 /nfs/dbraw/zinc/19/27/36/139192736.db2.gz BHRBUUXOLLRNQN-DOTOQJQBSA-N 2 1 325.497 1.629 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)[C@@H](C)C1 ZINC000249397838 139192737 /nfs/dbraw/zinc/19/27/37/139192737.db2.gz BHRBUUXOLLRNQN-DOTOQJQBSA-N 2 1 325.497 1.629 20 0 EDADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c2C1 ZINC000415418117 304219094 /nfs/dbraw/zinc/21/90/94/304219094.db2.gz NZLGMUJNLGEDHB-ZIAGYGMSSA-N 2 1 346.475 1.791 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000251699850 139202352 /nfs/dbraw/zinc/20/23/52/139202352.db2.gz JAVBIJDZJAJJHA-IRXDYDNUSA-N 2 1 345.487 1.810 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000251699850 139202353 /nfs/dbraw/zinc/20/23/53/139202353.db2.gz JAVBIJDZJAJJHA-IRXDYDNUSA-N 2 1 345.487 1.810 20 0 EDADMP [NH3+][C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000261621504 139211884 /nfs/dbraw/zinc/21/18/84/139211884.db2.gz CENGGAUIJUMUPI-QZTJIDSGSA-N 2 1 331.460 1.521 20 0 EDADMP CN(C)S(=O)(=O)c1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000261625396 139212261 /nfs/dbraw/zinc/21/22/61/139212261.db2.gz BIZHBUVBATZCIZ-XYPWUTKMSA-N 2 1 337.489 1.652 20 0 EDADMP CN(C)S(=O)(=O)c1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000261625396 139212262 /nfs/dbraw/zinc/21/22/62/139212262.db2.gz BIZHBUVBATZCIZ-XYPWUTKMSA-N 2 1 337.489 1.652 20 0 EDADMP COc1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261723675 139220731 /nfs/dbraw/zinc/22/07/31/139220731.db2.gz RADBFPPXDDTNQY-DOTOQJQBSA-N 2 1 331.460 1.775 20 0 EDADMP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000261765084 139224161 /nfs/dbraw/zinc/22/41/61/139224161.db2.gz NWLVQZWBBWWUTJ-SJLPKXTDSA-N 2 1 331.460 1.875 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261793022 139226482 /nfs/dbraw/zinc/22/64/82/139226482.db2.gz NSLLOXQVAVMDBP-BEFAXECRSA-N 2 1 346.475 1.100 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261793022 139226483 /nfs/dbraw/zinc/22/64/83/139226483.db2.gz NSLLOXQVAVMDBP-BEFAXECRSA-N 2 1 346.475 1.100 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C1([NH3+])CCOCC1)c1ccccc1Cl ZINC000261772688 139224670 /nfs/dbraw/zinc/22/46/70/139224670.db2.gz GUCWHRQRQICPLD-CQSZACIVSA-N 2 1 325.840 1.567 20 0 EDADMP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261905769 139235785 /nfs/dbraw/zinc/23/57/85/139235785.db2.gz IESNNOHIZZBCKT-OTWHNJEPSA-N 2 1 343.471 1.826 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1)N1CC[NH2+]CC1 ZINC000261922945 139237351 /nfs/dbraw/zinc/23/73/51/139237351.db2.gz KRWXTBDXIDNPSY-CQSZACIVSA-N 2 1 334.489 1.664 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000262067862 139248161 /nfs/dbraw/zinc/24/81/61/139248161.db2.gz SEVZKKLNPBUXQT-JLSDUUJJSA-N 2 1 331.460 1.692 20 0 EDADMP CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)C1 ZINC000262070126 139248317 /nfs/dbraw/zinc/24/83/17/139248317.db2.gz FYKAKKJUNUZYOL-HNNXBMFYSA-N 2 1 329.510 1.122 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262112804 139251962 /nfs/dbraw/zinc/25/19/62/139251962.db2.gz FLJXZDBHZMKZLH-FZMWSMFESA-N 2 1 347.507 1.206 20 0 EDADMP [NH3+]CC1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000262200888 139259434 /nfs/dbraw/zinc/25/94/34/139259434.db2.gz IEXCVBHOLWCNGS-SFHVURJKSA-N 2 1 345.487 1.913 20 0 EDADMP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262184219 139258216 /nfs/dbraw/zinc/25/82/16/139258216.db2.gz XGUBLMXXVCQKCG-DOTOQJQBSA-N 2 1 347.459 1.106 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000262210763 139260372 /nfs/dbraw/zinc/26/03/72/139260372.db2.gz ITLOPJSLNBJKLC-LMSBXDPUSA-N 2 1 331.460 1.533 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000262210763 139260373 /nfs/dbraw/zinc/26/03/73/139260373.db2.gz ITLOPJSLNBJKLC-LMSBXDPUSA-N 2 1 331.460 1.533 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NCC(C)(C)[NH3+])cc2)CC1 ZINC000416990142 251118811 /nfs/dbraw/zinc/11/88/11/251118811.db2.gz MZKFZEOJWQEBRE-UHFFFAOYSA-N 2 1 347.507 1.361 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000417173744 251144809 /nfs/dbraw/zinc/14/48/09/251144809.db2.gz IXOYEUNIHUKWJI-KRWDZBQOSA-N 2 1 332.448 1.022 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417254517 251150646 /nfs/dbraw/zinc/15/06/46/251150646.db2.gz DMDFSXUBBPMVOY-UKRRQHHQSA-N 2 1 334.489 1.357 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417254517 251150649 /nfs/dbraw/zinc/15/06/49/251150649.db2.gz DMDFSXUBBPMVOY-UKRRQHHQSA-N 2 1 334.489 1.357 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000417309047 251154424 /nfs/dbraw/zinc/15/44/24/251154424.db2.gz DDFJMPNLMOJKDB-LZQZEXGQSA-N 2 1 342.487 1.969 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])c1 ZINC000417400469 251163035 /nfs/dbraw/zinc/16/30/35/251163035.db2.gz KAFSBIIKNKOAEY-MSOLQXFVSA-N 2 1 348.491 1.786 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417557314 251186413 /nfs/dbraw/zinc/18/64/13/251186413.db2.gz RGIZOXVJRWJHCL-WMZOPIPTSA-N 2 1 340.512 1.709 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417445450 251176118 /nfs/dbraw/zinc/17/61/18/251176118.db2.gz GYAMEZFMUGJHNZ-USXIJHARSA-N 2 1 340.512 1.645 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000262380635 139274569 /nfs/dbraw/zinc/27/45/69/139274569.db2.gz LJJWCGTYDYZYRF-BZSNNMDCSA-N 2 1 344.503 1.701 20 0 EDADMP [NH3+]CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000417647263 251212543 /nfs/dbraw/zinc/21/25/43/251212543.db2.gz HEHZECJTXREITL-ZDUSSCGKSA-N 2 1 330.354 1.538 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)[nH+]1 ZINC000417689421 251229067 /nfs/dbraw/zinc/22/90/67/251229067.db2.gz GESPYRHWTAFAHN-RDJZCZTQSA-N 2 1 343.475 1.752 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000417670618 251223301 /nfs/dbraw/zinc/22/33/01/251223301.db2.gz OMXLUVSPYBBFMB-OWCLPIDISA-N 2 1 326.485 1.175 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417674587 251224722 /nfs/dbraw/zinc/22/47/22/251224722.db2.gz ZVSUKLXEFGPTQI-QYZOEREBSA-N 2 1 342.487 1.902 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417730978 251247403 /nfs/dbraw/zinc/24/74/03/251247403.db2.gz NDMVVPRWXZJASO-IAGOWNOFSA-N 2 1 347.507 1.494 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000262503924 139283014 /nfs/dbraw/zinc/28/30/14/139283014.db2.gz AXWMOBXQTAUOGR-SWLSCSKDSA-N 2 1 329.366 1.904 20 0 EDADMP C[C@@]1(C[NH3+])CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418110684 251324549 /nfs/dbraw/zinc/32/45/49/251324549.db2.gz WPPZFASJZWDIPE-MJGOQNOKSA-N 2 1 330.476 1.889 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)F ZINC000418109620 251325532 /nfs/dbraw/zinc/32/55/32/251325532.db2.gz VAKRDGQTKRJWBR-HUUCEWRRSA-N 2 1 340.418 1.790 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCCO1 ZINC000418121426 251332296 /nfs/dbraw/zinc/33/22/96/251332296.db2.gz WWJIFKHZWZVMBQ-HYVNUMGLSA-N 2 1 338.496 1.175 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000418429695 251368032 /nfs/dbraw/zinc/36/80/32/251368032.db2.gz SKXRTLFXBDDHJD-IAGOWNOFSA-N 2 1 348.491 1.439 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000418426401 251368826 /nfs/dbraw/zinc/36/88/26/251368826.db2.gz LWLGGXLKWBRLIL-KZNAEPCWSA-N 2 1 348.491 1.294 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC000418194653 251353175 /nfs/dbraw/zinc/35/31/75/251353175.db2.gz DTTZWESVUWRRQU-GDBMZVCRSA-N 2 1 331.464 1.917 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418707410 251389512 /nfs/dbraw/zinc/38/95/12/251389512.db2.gz IGINDWMGBYQVJT-ZFWWWQNUSA-N 2 1 340.418 1.885 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418707410 251389514 /nfs/dbraw/zinc/38/95/14/251389514.db2.gz IGINDWMGBYQVJT-ZFWWWQNUSA-N 2 1 340.418 1.885 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1C ZINC000418624163 251380733 /nfs/dbraw/zinc/38/07/33/251380733.db2.gz YLSAITNLNDGVOU-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1C ZINC000418624163 251380737 /nfs/dbraw/zinc/38/07/37/251380737.db2.gz YLSAITNLNDGVOU-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[C@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000418677005 251384501 /nfs/dbraw/zinc/38/45/01/251384501.db2.gz AGUOFQAEABAIDL-RCCFBDPRSA-N 2 1 330.476 1.724 20 0 EDADMP CC[C@H](NC(=O)C[C@H](C[NH3+])OC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262797014 139304311 /nfs/dbraw/zinc/30/43/11/139304311.db2.gz DTHLUKDPSCHXJC-FGTMMUONSA-N 2 1 349.475 1.146 20 0 EDADMP CC[C@H](NC(=O)C[C@H](C[NH3+])OC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262797014 139304312 /nfs/dbraw/zinc/30/43/12/139304312.db2.gz DTHLUKDPSCHXJC-FGTMMUONSA-N 2 1 349.475 1.146 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423176324 252041920 /nfs/dbraw/zinc/04/19/20/252041920.db2.gz GRGSQMZVFCMHJC-QUCCMNQESA-N 3 1 330.520 1.782 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423176324 252041924 /nfs/dbraw/zinc/04/19/24/252041924.db2.gz GRGSQMZVFCMHJC-QUCCMNQESA-N 3 1 330.520 1.782 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000423778738 252070335 /nfs/dbraw/zinc/07/03/35/252070335.db2.gz DCSDETBBZVKAGL-OAHLLOKOSA-N 2 1 339.480 1.382 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424142237 252140940 /nfs/dbraw/zinc/14/09/40/252140940.db2.gz DSNSDJSTLVQANA-LSDHHAIUSA-N 2 1 348.495 1.443 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424144842 252142780 /nfs/dbraw/zinc/14/27/80/252142780.db2.gz MFQDOTHZWKZTMV-HOTGVXAUSA-N 2 1 346.479 1.197 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)[C@@H](C)C1 ZINC000424146403 252143633 /nfs/dbraw/zinc/14/36/33/252143633.db2.gz PPQHJEZFJWAMPF-LZWOXQAQSA-N 2 1 334.468 1.005 20 0 EDADMP CS(=O)(=O)N(CC[NH2+][C@@H]1CCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000424286588 252190130 /nfs/dbraw/zinc/19/01/30/252190130.db2.gz HHJLOSXEUITQEZ-HZPDHXFCSA-N 2 1 325.478 1.308 20 0 EDADMP COC(=O)c1ccc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424300514 252192707 /nfs/dbraw/zinc/19/27/07/252192707.db2.gz WMNMBMHICZNBRA-AWEZNQCLSA-N 2 1 345.443 1.876 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424383780 252204561 /nfs/dbraw/zinc/20/45/61/252204561.db2.gz UMLVENZYRGLIHR-OAHLLOKOSA-N 2 1 347.507 1.529 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000424439701 252231120 /nfs/dbraw/zinc/23/11/20/252231120.db2.gz OSODKHXUXPTFPK-ZFWWWQNUSA-N 2 1 346.475 1.629 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000111865165 285033700 /nfs/dbraw/zinc/03/37/00/285033700.db2.gz IEYMBNFBFHQOSP-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000121188829 285034543 /nfs/dbraw/zinc/03/45/43/285034543.db2.gz MBDCRNANJFWQRY-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000121188829 285034545 /nfs/dbraw/zinc/03/45/45/285034545.db2.gz MBDCRNANJFWQRY-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000121188829 285034548 /nfs/dbraw/zinc/03/45/48/285034548.db2.gz MBDCRNANJFWQRY-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263200624 139327974 /nfs/dbraw/zinc/32/79/74/139327974.db2.gz IZWOULASHIGFEB-SUMWQHHRSA-N 2 1 334.851 1.812 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415663880 304251573 /nfs/dbraw/zinc/25/15/73/304251573.db2.gz ZJKHRPHIYQICHB-CQSZACIVSA-N 2 1 346.475 1.376 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112464657 220333414 /nfs/dbraw/zinc/33/34/14/220333414.db2.gz LMUQAYNYOBSKHW-KRWDZBQOSA-N 2 1 340.512 1.472 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N(C)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000112741889 220392073 /nfs/dbraw/zinc/39/20/73/220392073.db2.gz OWOWGPDULKEBCM-IYBDPMFKSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000341994226 285195310 /nfs/dbraw/zinc/19/53/10/285195310.db2.gz LHOXBVBHBBXMPZ-LSDHHAIUSA-N 2 1 340.512 1.070 20 0 EDADMP CC[N@H+]1CCCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000333554920 285210064 /nfs/dbraw/zinc/21/00/64/285210064.db2.gz PTXLCMPHQXRAHN-UHFFFAOYSA-N 2 1 334.508 1.877 20 0 EDADMP C[C@@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000570331184 306537729 /nfs/dbraw/zinc/53/77/29/306537729.db2.gz YQXQPJABZHHMAQ-GDBMZVCRSA-N 2 1 333.480 1.136 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[NH+]2CCSCC2)CC[N@@H+](C2CCC2)C1 ZINC000488968464 255060975 /nfs/dbraw/zinc/06/09/75/255060975.db2.gz AMVXWNQLLDZNKF-HNNXBMFYSA-N 2 1 340.537 1.551 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[NH+]2CCSCC2)CC[N@H+](C2CCC2)C1 ZINC000488968464 255060977 /nfs/dbraw/zinc/06/09/77/255060977.db2.gz AMVXWNQLLDZNKF-HNNXBMFYSA-N 2 1 340.537 1.551 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CC(=O)OC ZINC000343955103 285247811 /nfs/dbraw/zinc/24/78/11/285247811.db2.gz SUPNSPYICTVVPQ-HUUCEWRRSA-N 2 1 327.469 1.060 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000495039665 255266619 /nfs/dbraw/zinc/26/66/19/255266619.db2.gz ZZXCOAIHOKGLEY-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000495039665 255266620 /nfs/dbraw/zinc/26/66/20/255266620.db2.gz ZZXCOAIHOKGLEY-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000495039665 255266621 /nfs/dbraw/zinc/26/66/21/255266621.db2.gz ZZXCOAIHOKGLEY-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])c2C1 ZINC000415797321 304273290 /nfs/dbraw/zinc/27/32/90/304273290.db2.gz YPQYUSBSZQOBAG-RDBSUJKOSA-N 2 1 346.475 1.837 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC[C@@H]1CCCO1 ZINC000337581027 285276349 /nfs/dbraw/zinc/27/63/49/285276349.db2.gz NUAYREZRRGJAIE-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCSC1 ZINC000341453884 285278378 /nfs/dbraw/zinc/27/83/78/285278378.db2.gz AWGKUZDVXRQKFO-GJZGRUSLSA-N 2 1 328.526 1.549 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C(F)(F)F ZINC000344637544 285278675 /nfs/dbraw/zinc/27/86/75/285278675.db2.gz YTXVOOCXWUVWQA-STQMWFEESA-N 2 1 338.418 1.995 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)C(C)C ZINC000118118844 221122535 /nfs/dbraw/zinc/12/25/35/221122535.db2.gz ZJHUNDVFEAVEHX-UHFFFAOYSA-N 2 1 348.491 1.576 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000417744179 285319718 /nfs/dbraw/zinc/31/97/18/285319718.db2.gz DPMPCMIKVLLAOB-BRWVUGGUSA-N 2 1 339.528 1.171 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000119202007 221264694 /nfs/dbraw/zinc/26/46/94/221264694.db2.gz RJRQEVMEJKOGOC-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415909455 304284835 /nfs/dbraw/zinc/28/48/35/304284835.db2.gz GDMHFLVRSHVMSZ-MRXNPFEDSA-N 2 1 347.507 1.801 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415906798 304284920 /nfs/dbraw/zinc/28/49/20/304284920.db2.gz YUFDBNNXSMFMFN-UHFFFAOYSA-N 2 1 347.507 1.944 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2ccccc2C[NH2+]C)C[C@H]1[NH+]1CCOCC1 ZINC000415913058 304285160 /nfs/dbraw/zinc/28/51/60/304285160.db2.gz OOAWNCSGOCRLJK-MAUKXSAKSA-N 2 1 346.475 1.981 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000270848699 140182442 /nfs/dbraw/zinc/18/24/42/140182442.db2.gz LPBBEMBSUMOUOY-FGTMMUONSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270848699 140182444 /nfs/dbraw/zinc/18/24/44/140182444.db2.gz LPBBEMBSUMOUOY-FGTMMUONSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270848699 140182446 /nfs/dbraw/zinc/18/24/46/140182446.db2.gz LPBBEMBSUMOUOY-FGTMMUONSA-N 2 1 331.460 1.080 20 0 EDADMP CC[C@H](C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000332222206 141142780 /nfs/dbraw/zinc/14/27/80/141142780.db2.gz KRXMICXKWMURAX-QGZVFWFLSA-N 2 1 346.475 1.743 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000332312883 141160679 /nfs/dbraw/zinc/16/06/79/141160679.db2.gz TZXQWMHJPQTHDU-CYGHRXIMSA-N 2 1 330.476 1.886 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000332327502 141163142 /nfs/dbraw/zinc/16/31/42/141163142.db2.gz QBYMZZWQSFAQNQ-GJZGRUSLSA-N 2 1 334.464 1.539 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000332675059 141227392 /nfs/dbraw/zinc/22/73/92/141227392.db2.gz REZYJZNZUKOFRX-RHSMWYFYSA-N 2 1 332.448 1.638 20 0 EDADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000333202921 141280492 /nfs/dbraw/zinc/28/04/92/141280492.db2.gz RUEYOZMNXUZCTF-NPYXIHBLSA-N 2 1 331.464 1.991 20 0 EDADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000333202921 141280493 /nfs/dbraw/zinc/28/04/93/141280493.db2.gz RUEYOZMNXUZCTF-NPYXIHBLSA-N 2 1 331.464 1.991 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000333292880 141294074 /nfs/dbraw/zinc/29/40/74/141294074.db2.gz HZKKEHZGUOVKAF-WCVJEAGWSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000333324340 141299381 /nfs/dbraw/zinc/29/93/81/141299381.db2.gz QGUQIJYTSMCRRX-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[N@H+]1C1CC1 ZINC000333430189 141316391 /nfs/dbraw/zinc/31/63/91/141316391.db2.gz UKSBAQIBJKYGNA-SDNTUTLCSA-N 2 1 336.480 1.149 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000333673261 141354140 /nfs/dbraw/zinc/35/41/40/141354140.db2.gz NNBRSTRQALRRIF-KSZLIROESA-N 2 1 330.476 1.825 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC000333673261 141354141 /nfs/dbraw/zinc/35/41/41/141354141.db2.gz NNBRSTRQALRRIF-KSZLIROESA-N 2 1 330.476 1.825 20 0 EDADMP C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000333701013 141361380 /nfs/dbraw/zinc/36/13/80/141361380.db2.gz QUYTXKNXMLGDET-HRCADAONSA-N 2 1 338.496 1.269 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000339587383 142084954 /nfs/dbraw/zinc/08/49/54/142084954.db2.gz XBARPADTRKMBKP-UHFFFAOYSA-N 2 1 340.512 1.215 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000339617862 142096047 /nfs/dbraw/zinc/09/60/47/142096047.db2.gz ZTZCNPOVBLHKIW-UHFFFAOYSA-N 2 1 349.479 1.079 20 0 EDADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000340209547 142303877 /nfs/dbraw/zinc/30/38/77/142303877.db2.gz LYJKWYZIBCPTIC-BLLLJJGKSA-N 2 1 325.478 1.641 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)CCC[N@@H+]1C ZINC000345776961 143132248 /nfs/dbraw/zinc/13/22/48/143132248.db2.gz KOIDYZQLGLHGDU-WBVHZDCISA-N 2 1 348.495 1.120 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)CCC[N@H+]1C ZINC000345776961 143132249 /nfs/dbraw/zinc/13/22/49/143132249.db2.gz KOIDYZQLGLHGDU-WBVHZDCISA-N 2 1 348.495 1.120 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)CCC[NH+]1C ZINC000345776961 143132250 /nfs/dbraw/zinc/13/22/50/143132250.db2.gz KOIDYZQLGLHGDU-WBVHZDCISA-N 2 1 348.495 1.120 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)CCC[NH+]1C ZINC000345776961 143132251 /nfs/dbraw/zinc/13/22/51/143132251.db2.gz KOIDYZQLGLHGDU-WBVHZDCISA-N 2 1 348.495 1.120 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@H]3CCC[NH+](C)[C@@H]3C)CC2)CCO1 ZINC000345780984 143132725 /nfs/dbraw/zinc/13/27/25/143132725.db2.gz MZTAUSOYJBMXHG-INMHGKMJSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)N[C@H]3CCC[N@H+](C)[C@@H]3C)CC2)CCO1 ZINC000345780984 143132726 /nfs/dbraw/zinc/13/27/26/143132726.db2.gz MZTAUSOYJBMXHG-INMHGKMJSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)N[C@H]3CCC[N@@H+](C)[C@@H]3C)CC2)CCO1 ZINC000345780984 143132727 /nfs/dbraw/zinc/13/27/27/143132727.db2.gz MZTAUSOYJBMXHG-INMHGKMJSA-N 2 1 338.496 1.364 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC2CC[NH+](C(C)C)CC2)[N@@H+](C)C1 ZINC000345859655 143140494 /nfs/dbraw/zinc/14/04/94/143140494.db2.gz DNQKYAZUSSGHJL-HZPDHXFCSA-N 2 1 326.485 1.220 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCc2ccc(-n3ccnc3)c(F)c2)C1 ZINC000346287738 143187279 /nfs/dbraw/zinc/18/72/79/143187279.db2.gz SRMJXDHJIWHEST-KRWDZBQOSA-N 2 1 346.406 1.737 20 0 EDADMP CC(C)N1CCO[C@H](C(=O)NCc2ccc(-n3ccnc3)c(F)c2)C1 ZINC000346287738 143187280 /nfs/dbraw/zinc/18/72/80/143187280.db2.gz SRMJXDHJIWHEST-KRWDZBQOSA-N 2 1 346.406 1.737 20 0 EDADMP CCOc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000346661425 143228146 /nfs/dbraw/zinc/22/81/46/143228146.db2.gz BADQATVQCAWRDO-RDJZCZTQSA-N 2 1 346.475 1.561 20 0 EDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC(=O)N(C2CC2)[C@@H]1c1ccnn1C ZINC000346888830 143256700 /nfs/dbraw/zinc/25/67/00/143256700.db2.gz UKWFBGBCUYKTJE-YJBOKZPZSA-N 2 1 342.447 1.409 20 0 EDADMP CN(CC(=O)N1CC[NH2+]CC1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000347041601 143275358 /nfs/dbraw/zinc/27/53/58/143275358.db2.gz LEUVKDUWLVIMEU-UHFFFAOYSA-N 2 1 346.519 1.508 20 0 EDADMP CC[N@H+]1C[C@H](N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)[C@@H](C)C1 ZINC000347273444 143302684 /nfs/dbraw/zinc/30/26/84/143302684.db2.gz QWLGSTIFWWDZCB-WDSOQIARSA-N 2 1 346.519 1.205 20 0 EDADMP CC[N@@H+]1C[C@H](N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)[C@@H](C)C1 ZINC000347273444 143302685 /nfs/dbraw/zinc/30/26/85/143302685.db2.gz QWLGSTIFWWDZCB-WDSOQIARSA-N 2 1 346.519 1.205 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCCC[NH+]1CCOCC1 ZINC000347350522 143311646 /nfs/dbraw/zinc/31/16/46/143311646.db2.gz WQMAIQDDXQDCKE-KURKYZTESA-N 2 1 339.524 1.972 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000347978997 143386868 /nfs/dbraw/zinc/38/68/68/143386868.db2.gz QOXAYGNZNZXCEX-HOTGVXAUSA-N 2 1 340.512 1.163 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c1C ZINC000369848641 155202495 /nfs/dbraw/zinc/20/24/95/155202495.db2.gz WBIZAEPIMVZDNP-AWEZNQCLSA-N 2 1 331.420 1.364 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000416892921 304353590 /nfs/dbraw/zinc/35/35/90/304353590.db2.gz ZWBRDHGXHNWIOM-RHSMWYFYSA-N 2 1 332.448 1.007 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000349783067 286084705 /nfs/dbraw/zinc/08/47/05/286084705.db2.gz IZZHGNUEDIFWMV-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP CC[C@@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@@H](C)[S@@]1=O ZINC000352874937 149199280 /nfs/dbraw/zinc/19/92/80/149199280.db2.gz IQUNKIVTXFVHDA-YVHKJVDXSA-N 2 1 329.554 1.634 20 0 EDADMP CC[C@@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@@H](C)[S@@]1=O ZINC000352874937 149199281 /nfs/dbraw/zinc/19/92/81/149199281.db2.gz IQUNKIVTXFVHDA-YVHKJVDXSA-N 2 1 329.554 1.634 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[C@H](C[NH2+]C)C1)[NH+]1CCOCC1 ZINC000416967176 304356755 /nfs/dbraw/zinc/35/67/55/304356755.db2.gz ZERJYOVBSCHFBW-WBVHZDCISA-N 2 1 340.512 1.374 20 0 EDADMP C[N@@H+](CCCN1CCOCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354880738 150009292 /nfs/dbraw/zinc/00/92/92/150009292.db2.gz MNQFADMSINOBIO-UHFFFAOYSA-N 2 1 332.492 1.952 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)N[C@@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000417031463 304362744 /nfs/dbraw/zinc/36/27/44/304362744.db2.gz XLMLIYXBWVEIFL-QZTJIDSGSA-N 2 1 345.491 1.026 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)N[C@@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000417031463 304362747 /nfs/dbraw/zinc/36/27/47/304362747.db2.gz XLMLIYXBWVEIFL-QZTJIDSGSA-N 2 1 345.491 1.026 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000417038509 304364279 /nfs/dbraw/zinc/36/42/79/304364279.db2.gz IUUPMJOUDCMZEP-BBWFWOEESA-N 2 1 340.512 1.504 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)[C@H](C[NH3+])C1 ZINC000417042657 304365211 /nfs/dbraw/zinc/36/52/11/304365211.db2.gz LUUKIMNNGKEBPI-IXDOHACOSA-N 2 1 340.512 1.789 20 0 EDADMP [NH3+]C[C@H]1CCCN1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000417053945 304367240 /nfs/dbraw/zinc/36/72/40/304367240.db2.gz SVXFVZTVPOLDDQ-QGZVFWFLSA-N 2 1 349.454 1.080 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C(C)C)C1 ZINC000357659630 151105470 /nfs/dbraw/zinc/10/54/70/151105470.db2.gz QUFQBLAUDFPORX-IRXDYDNUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C(C)C)C1 ZINC000357659630 151105472 /nfs/dbraw/zinc/10/54/72/151105472.db2.gz QUFQBLAUDFPORX-IRXDYDNUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C(C)C)C1 ZINC000357659630 151105474 /nfs/dbraw/zinc/10/54/74/151105474.db2.gz QUFQBLAUDFPORX-IRXDYDNUSA-N 2 1 325.497 1.580 20 0 EDADMP CSC1(CNC(=O)N(C)CC[N@@H+](C)C2CC2)CC[NH+](C)CC1 ZINC000360663096 152143072 /nfs/dbraw/zinc/14/30/72/152143072.db2.gz CLMOWWNKMRWARV-UHFFFAOYSA-N 2 1 328.526 1.549 20 0 EDADMP C[C@H](C(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000361095874 152301396 /nfs/dbraw/zinc/30/13/96/152301396.db2.gz KGUWOHZIRASFGK-CCKFTAQKSA-N 2 1 327.472 1.938 20 0 EDADMP C[C@H](C(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000361095874 152301397 /nfs/dbraw/zinc/30/13/97/152301397.db2.gz KGUWOHZIRASFGK-CCKFTAQKSA-N 2 1 327.472 1.938 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000417182507 304381330 /nfs/dbraw/zinc/38/13/30/304381330.db2.gz PEHOOLLOZWCZPO-MSOLQXFVSA-N 2 1 341.459 1.966 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363596690 153008524 /nfs/dbraw/zinc/00/85/24/153008524.db2.gz GCURULYUORMKTF-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363596690 153008528 /nfs/dbraw/zinc/00/85/28/153008528.db2.gz GCURULYUORMKTF-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)CC1 ZINC000364201602 153172021 /nfs/dbraw/zinc/17/20/21/153172021.db2.gz OHQVGQFAFDWCCQ-ROUUACIJSA-N 2 1 348.466 1.106 20 0 EDADMP C[N@@H+](CCCOC(=O)NC(N)=O)C1CCN(c2ccccn2)CC1 ZINC000367370614 154091134 /nfs/dbraw/zinc/09/11/34/154091134.db2.gz FGCYQCOJLSWSNG-UHFFFAOYSA-N 2 1 335.408 1.177 20 0 EDADMP CN[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1cnn(C)c1 ZINC000367652510 154215218 /nfs/dbraw/zinc/21/52/18/154215218.db2.gz FCXPRCALZCSGFT-UHOFOFEASA-N 2 1 347.488 1.551 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1cnn(C)c1 ZINC000367652510 154215223 /nfs/dbraw/zinc/21/52/23/154215223.db2.gz FCXPRCALZCSGFT-UHOFOFEASA-N 2 1 347.488 1.551 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)on1 ZINC000368006831 154364225 /nfs/dbraw/zinc/36/42/25/154364225.db2.gz ONLNIXCGKBYSDR-RHSMWYFYSA-N 2 1 334.464 1.794 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000371818527 156120502 /nfs/dbraw/zinc/12/05/02/156120502.db2.gz IBAQSTKRYYZLLY-KRWDZBQOSA-N 2 1 330.476 1.752 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCc1cn2c(n1)CCCC2 ZINC000371907994 156162887 /nfs/dbraw/zinc/16/28/87/156162887.db2.gz XJRIBODWRJRBEA-GOEBONIOSA-N 2 1 333.480 1.744 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(c2ccn(C)n2)C1=O ZINC000373784797 157002184 /nfs/dbraw/zinc/00/21/84/157002184.db2.gz AKRKZANZVGALDB-HNNXBMFYSA-N 2 1 344.463 1.697 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(c2ccn(C)n2)C1=O ZINC000373784797 157002189 /nfs/dbraw/zinc/00/21/89/157002189.db2.gz AKRKZANZVGALDB-HNNXBMFYSA-N 2 1 344.463 1.697 20 0 EDADMP C[C@H](O)COC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000373863123 157038488 /nfs/dbraw/zinc/03/84/88/157038488.db2.gz PPGQMGFUZXTGFO-YESZJQIVSA-N 2 1 326.481 1.887 20 0 EDADMP C[C@H](O)COC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000373863123 157038490 /nfs/dbraw/zinc/03/84/90/157038490.db2.gz PPGQMGFUZXTGFO-YESZJQIVSA-N 2 1 326.481 1.887 20 0 EDADMP C[C@H](O)COC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000373863123 157038494 /nfs/dbraw/zinc/03/84/94/157038494.db2.gz PPGQMGFUZXTGFO-YESZJQIVSA-N 2 1 326.481 1.887 20 0 EDADMP C[C@H](O)COC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000373863123 157038500 /nfs/dbraw/zinc/03/85/00/157038500.db2.gz PPGQMGFUZXTGFO-YESZJQIVSA-N 2 1 326.481 1.887 20 0 EDADMP C[C@H](O)COC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000373863121 157039457 /nfs/dbraw/zinc/03/94/57/157039457.db2.gz PPGQMGFUZXTGFO-IXDOHACOSA-N 2 1 326.481 1.887 20 0 EDADMP C[C@H](O)COC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000373863121 157039459 /nfs/dbraw/zinc/03/94/59/157039459.db2.gz PPGQMGFUZXTGFO-IXDOHACOSA-N 2 1 326.481 1.887 20 0 EDADMP C[C@H](O)COC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000373863121 157039462 /nfs/dbraw/zinc/03/94/62/157039462.db2.gz PPGQMGFUZXTGFO-IXDOHACOSA-N 2 1 326.481 1.887 20 0 EDADMP C[C@H](O)COC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000373863121 157039466 /nfs/dbraw/zinc/03/94/66/157039466.db2.gz PPGQMGFUZXTGFO-IXDOHACOSA-N 2 1 326.481 1.887 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCC(=O)NC(N)=O ZINC000374104904 157144306 /nfs/dbraw/zinc/14/43/06/157144306.db2.gz GTQAYZMBSZKHEU-GOEBONIOSA-N 2 1 332.448 1.414 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCC(=O)NC(N)=O ZINC000374104904 157144309 /nfs/dbraw/zinc/14/43/09/157144309.db2.gz GTQAYZMBSZKHEU-GOEBONIOSA-N 2 1 332.448 1.414 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCC(=O)NC(N)=O ZINC000374104904 157144310 /nfs/dbraw/zinc/14/43/10/157144310.db2.gz GTQAYZMBSZKHEU-GOEBONIOSA-N 2 1 332.448 1.414 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCC(=O)NC(N)=O ZINC000374104904 157144311 /nfs/dbraw/zinc/14/43/11/157144311.db2.gz GTQAYZMBSZKHEU-GOEBONIOSA-N 2 1 332.448 1.414 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[NH+](CC3CCOCC3)CC1)C2 ZINC000377940603 158034655 /nfs/dbraw/zinc/03/46/55/158034655.db2.gz KUVMXWRIIOEBII-KRWDZBQOSA-N 2 1 346.475 1.325 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000378022409 158059127 /nfs/dbraw/zinc/05/91/27/158059127.db2.gz BASCOXIIZFYBHO-INIZCTEOSA-N 2 1 334.464 1.720 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000378022410 158059628 /nfs/dbraw/zinc/05/96/28/158059628.db2.gz BASCOXIIZFYBHO-MRXNPFEDSA-N 2 1 334.464 1.720 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000378120468 158083854 /nfs/dbraw/zinc/08/38/54/158083854.db2.gz HUQSIFHGAWCGRV-IAGOWNOFSA-N 2 1 339.528 1.138 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000378120468 158083857 /nfs/dbraw/zinc/08/38/57/158083857.db2.gz HUQSIFHGAWCGRV-IAGOWNOFSA-N 2 1 339.528 1.138 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000378120468 158083858 /nfs/dbraw/zinc/08/38/58/158083858.db2.gz HUQSIFHGAWCGRV-IAGOWNOFSA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCCN(C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC[NH+](C)C ZINC000378120468 158083860 /nfs/dbraw/zinc/08/38/60/158083860.db2.gz HUQSIFHGAWCGRV-IAGOWNOFSA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCCN(C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC[NH+](C)C ZINC000378120468 158083861 /nfs/dbraw/zinc/08/38/61/158083861.db2.gz HUQSIFHGAWCGRV-IAGOWNOFSA-N 2 1 339.528 1.138 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)C2([NH3+])CCCC2)[C@H](c2ccccc2)C1 ZINC000378206010 158108752 /nfs/dbraw/zinc/10/87/52/158108752.db2.gz OQJXNTXDEPNOKP-KRWDZBQOSA-N 2 1 330.476 1.363 20 0 EDADMP COC(=O)c1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)oc1C ZINC000378424333 158170373 /nfs/dbraw/zinc/17/03/73/158170373.db2.gz DTBFDVAZQSWHKQ-MRXNPFEDSA-N 2 1 349.475 1.975 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)oc1C ZINC000378424333 158170375 /nfs/dbraw/zinc/17/03/75/158170375.db2.gz DTBFDVAZQSWHKQ-MRXNPFEDSA-N 2 1 349.475 1.975 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@H](O)c3ccccc3F)C2)CC1 ZINC000378431718 158171240 /nfs/dbraw/zinc/17/12/40/158171240.db2.gz FPPKFFXASNZKIQ-APWZRJJASA-N 2 1 335.467 1.819 20 0 EDADMP C[C@@H]1CN(C2CCN(c3ccnc(N4CCOCC4)n3)CC2)CCO1 ZINC000378526488 158199872 /nfs/dbraw/zinc/19/98/72/158199872.db2.gz OHTFIKAHDBEJSP-OAHLLOKOSA-N 2 1 347.463 1.003 20 0 EDADMP CC[N@@H+](C[C@H](C)O)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000352186205 162038944 /nfs/dbraw/zinc/03/89/44/162038944.db2.gz JWPBRHUOXSNPRE-DLBZAZTESA-N 2 1 347.503 1.858 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000352266667 162083900 /nfs/dbraw/zinc/08/39/00/162083900.db2.gz PYFKUOJKOFMNJE-UHFFFAOYSA-N 2 1 331.526 1.608 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000352266667 162083904 /nfs/dbraw/zinc/08/39/04/162083904.db2.gz PYFKUOJKOFMNJE-UHFFFAOYSA-N 2 1 331.526 1.608 20 0 EDADMP COc1ccc(-c2n[nH]cc2C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352525203 162230770 /nfs/dbraw/zinc/23/07/70/162230770.db2.gz FMMOPIOAJYRMQY-QGZVFWFLSA-N 2 1 341.459 1.565 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N(C)CC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000353496344 162262596 /nfs/dbraw/zinc/26/25/96/162262596.db2.gz APTIJJOGEIEAPR-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000074103341 287267605 /nfs/dbraw/zinc/26/76/05/287267605.db2.gz SRFHOXCYCHCGIV-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000074103341 287267607 /nfs/dbraw/zinc/26/76/07/287267607.db2.gz SRFHOXCYCHCGIV-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000074103341 287267609 /nfs/dbraw/zinc/26/76/09/287267609.db2.gz SRFHOXCYCHCGIV-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062716 287301759 /nfs/dbraw/zinc/30/17/59/287301759.db2.gz VERSTQKNXDKSER-IKGGRYGDSA-N 2 1 325.497 1.759 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000081572890 287314276 /nfs/dbraw/zinc/31/42/76/287314276.db2.gz NJYGICLVOKCGRQ-HNNXBMFYSA-N 2 1 346.475 1.778 20 0 EDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000081572890 287314277 /nfs/dbraw/zinc/31/42/77/287314277.db2.gz NJYGICLVOKCGRQ-HNNXBMFYSA-N 2 1 346.475 1.778 20 0 EDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000081572890 287314278 /nfs/dbraw/zinc/31/42/78/287314278.db2.gz NJYGICLVOKCGRQ-HNNXBMFYSA-N 2 1 346.475 1.778 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000130494861 287493424 /nfs/dbraw/zinc/49/34/24/287493424.db2.gz JDNUYZGQWRBZCV-ZACQAIPSSA-N 2 1 345.487 1.912 20 0 EDADMP CC[C@H]1[C@@H](CO)CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665764268 452347564 /nfs/dbraw/zinc/34/75/64/452347564.db2.gz ZSZZKRLYKVYVHK-XHSDSOJGSA-N 2 1 328.501 1.061 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000665763939 452347596 /nfs/dbraw/zinc/34/75/96/452347596.db2.gz POSZNIWFPGVJAX-XHSDSOJGSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000665763939 452347604 /nfs/dbraw/zinc/34/76/04/452347604.db2.gz POSZNIWFPGVJAX-XHSDSOJGSA-N 2 1 328.501 1.515 20 0 EDADMP Cc1cccc2ncc(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])n21 ZINC000262020659 273017480 /nfs/dbraw/zinc/01/74/80/273017480.db2.gz NCOBZOWILDFEGI-HNNXBMFYSA-N 2 1 329.448 1.462 20 0 EDADMP Cc1cccc2ncc(C[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])n21 ZINC000262020659 273017482 /nfs/dbraw/zinc/01/74/82/273017482.db2.gz NCOBZOWILDFEGI-HNNXBMFYSA-N 2 1 329.448 1.462 20 0 EDADMP CS(=O)(=O)CCCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655756291 452558828 /nfs/dbraw/zinc/55/88/28/452558828.db2.gz QPHUABBSGJLSPX-INIZCTEOSA-N 2 1 332.510 1.434 20 0 EDADMP C[NH+](C)CCc1ccccc1NC(=O)NCCC[NH+]1CCOCC1 ZINC000275626264 273114573 /nfs/dbraw/zinc/11/45/73/273114573.db2.gz KCVJHYSBNCBASJ-UHFFFAOYSA-N 2 1 334.464 1.635 20 0 EDADMP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000277359814 273192504 /nfs/dbraw/zinc/19/25/04/273192504.db2.gz XANTURUUZQBLMH-GFCCVEGCSA-N 2 1 338.477 1.592 20 0 EDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000277359814 273192506 /nfs/dbraw/zinc/19/25/06/273192506.db2.gz XANTURUUZQBLMH-GFCCVEGCSA-N 2 1 338.477 1.592 20 0 EDADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3COC[C@H]3n3ccnn3)CC2)C1 ZINC000328982094 274296754 /nfs/dbraw/zinc/29/67/54/274296754.db2.gz YLMOMVOBVKVFFV-LAVFITLUSA-N 2 1 333.480 1.851 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424143931 276074427 /nfs/dbraw/zinc/07/44/27/276074427.db2.gz KGASDBGXPGFODT-CABCVRRESA-N 2 1 333.480 1.301 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)C1 ZINC000090680439 276337501 /nfs/dbraw/zinc/33/75/01/276337501.db2.gz RSCPDSRVZWDSHB-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)C1 ZINC000090680439 276337503 /nfs/dbraw/zinc/33/75/03/276337503.db2.gz RSCPDSRVZWDSHB-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000373266740 276372034 /nfs/dbraw/zinc/37/20/34/276372034.db2.gz YZFTWRPIWKKQSJ-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000373266740 276372036 /nfs/dbraw/zinc/37/20/36/276372036.db2.gz YZFTWRPIWKKQSJ-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000373266740 276372037 /nfs/dbraw/zinc/37/20/37/276372037.db2.gz YZFTWRPIWKKQSJ-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000353454293 276671066 /nfs/dbraw/zinc/67/10/66/276671066.db2.gz UKCRXQRNXZNZQD-QZTJIDSGSA-N 2 1 331.460 1.523 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)n1C ZINC000333288656 276899000 /nfs/dbraw/zinc/89/90/00/276899000.db2.gz QZZGRKBQFHOFLL-HNNXBMFYSA-N 2 1 348.495 1.646 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)C2)C1 ZINC000418581693 277085585 /nfs/dbraw/zinc/08/55/85/277085585.db2.gz MISSVZNKHVHLBH-IBGZPJMESA-N 2 1 328.460 1.917 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000354563167 277390992 /nfs/dbraw/zinc/39/09/92/277390992.db2.gz XJPOGCDSMUOFFH-SJORKVTESA-N 2 1 340.512 1.062 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000354563167 277390993 /nfs/dbraw/zinc/39/09/93/277390993.db2.gz XJPOGCDSMUOFFH-SJORKVTESA-N 2 1 340.512 1.062 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000125828120 277398822 /nfs/dbraw/zinc/39/88/22/277398822.db2.gz IQUNXFPYMCBQAU-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000125828120 277398823 /nfs/dbraw/zinc/39/88/23/277398823.db2.gz IQUNXFPYMCBQAU-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000125828120 277398824 /nfs/dbraw/zinc/39/88/24/277398824.db2.gz IQUNXFPYMCBQAU-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP CCN1CCN([C@H]2CC[N@@H+](CCC(=O)c3ccc(OC)cc3)C2)CC1 ZINC000286453794 288009681 /nfs/dbraw/zinc/00/96/81/288009681.db2.gz OGOLUNQMTFZDKM-SFHVURJKSA-N 2 1 345.487 1.980 20 0 EDADMP CC[N@H+]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000286468211 288012940 /nfs/dbraw/zinc/01/29/40/288012940.db2.gz KSAXSVRFGSFMRD-WMZOPIPTSA-N 2 1 332.492 1.432 20 0 EDADMP C[C@H](C(=O)N1CCC[NH+](C2CCOCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369535137 278138775 /nfs/dbraw/zinc/13/87/75/278138775.db2.gz NXBUQYJQURBUDS-IXDOHACOSA-N 2 1 337.508 1.961 20 0 EDADMP C[C@H](C(=O)N1CCC[N@@H+](C2CCOCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369535137 278138776 /nfs/dbraw/zinc/13/87/76/278138776.db2.gz NXBUQYJQURBUDS-IXDOHACOSA-N 2 1 337.508 1.961 20 0 EDADMP C[C@H](C(=O)N1CCC[N@H+](C2CCOCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369535137 278138778 /nfs/dbraw/zinc/13/87/78/278138778.db2.gz NXBUQYJQURBUDS-IXDOHACOSA-N 2 1 337.508 1.961 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@@H]1C ZINC000361496286 278293933 /nfs/dbraw/zinc/29/39/33/278293933.db2.gz KKMZHTWCYZXTCH-ULQDDVLXSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@@H]1C ZINC000361496286 278293934 /nfs/dbraw/zinc/29/39/34/278293934.db2.gz KKMZHTWCYZXTCH-ULQDDVLXSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1C ZINC000361496286 278293935 /nfs/dbraw/zinc/29/39/35/278293935.db2.gz KKMZHTWCYZXTCH-ULQDDVLXSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1C ZINC000361496286 278293936 /nfs/dbraw/zinc/29/39/36/278293936.db2.gz KKMZHTWCYZXTCH-ULQDDVLXSA-N 2 1 337.508 1.555 20 0 EDADMP CC(C)(C)CC[NH+]1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000079579975 278315122 /nfs/dbraw/zinc/31/51/22/278315122.db2.gz CEHQVNOBTURHBZ-UHFFFAOYSA-N 2 1 340.512 1.472 20 0 EDADMP CC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000422906902 288047076 /nfs/dbraw/zinc/04/70/76/288047076.db2.gz VZIOYFOGGGTMLE-ULQDDVLXSA-N 2 1 327.538 1.705 20 0 EDADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174479152 279035564 /nfs/dbraw/zinc/03/55/64/279035564.db2.gz KEFZMNZPNJUBSY-XWTMOSNGSA-N 2 1 339.524 1.920 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174479152 279035565 /nfs/dbraw/zinc/03/55/65/279035565.db2.gz KEFZMNZPNJUBSY-XWTMOSNGSA-N 2 1 339.524 1.920 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174479152 279035566 /nfs/dbraw/zinc/03/55/66/279035566.db2.gz KEFZMNZPNJUBSY-XWTMOSNGSA-N 2 1 339.524 1.920 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174479152 279035567 /nfs/dbraw/zinc/03/55/67/279035567.db2.gz KEFZMNZPNJUBSY-XWTMOSNGSA-N 2 1 339.524 1.920 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000352084280 279112239 /nfs/dbraw/zinc/11/22/39/279112239.db2.gz ONWYZAIEKDWQNK-MRXNPFEDSA-N 2 1 333.542 1.616 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(N2CCOCC2)CCCOC1 ZINC000371281233 288106906 /nfs/dbraw/zinc/10/69/06/288106906.db2.gz BTCQANAOHALDOF-TVFCKZIOSA-N 2 1 325.497 1.186 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2CC[NH+](C)[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000362291608 279203906 /nfs/dbraw/zinc/20/39/06/279203906.db2.gz WOYWEDPGGYDHSP-AYBZRNKSSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2CC[NH+](C)[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000362291608 279203907 /nfs/dbraw/zinc/20/39/07/279203907.db2.gz WOYWEDPGGYDHSP-AYBZRNKSSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000362291608 279203908 /nfs/dbraw/zinc/20/39/08/279203908.db2.gz WOYWEDPGGYDHSP-AYBZRNKSSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000362291608 279203909 /nfs/dbraw/zinc/20/39/09/279203909.db2.gz WOYWEDPGGYDHSP-AYBZRNKSSA-N 2 1 327.472 1.986 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000357280038 279208368 /nfs/dbraw/zinc/20/83/68/279208368.db2.gz YYZJBVSSPXSZER-WBVHZDCISA-N 2 1 336.480 1.291 20 0 EDADMP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343896188 279283176 /nfs/dbraw/zinc/28/31/76/279283176.db2.gz WSUUHJYKTIMKDD-UKRRQHHQSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343896188 279283178 /nfs/dbraw/zinc/28/31/78/279283178.db2.gz WSUUHJYKTIMKDD-UKRRQHHQSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000371967573 288119764 /nfs/dbraw/zinc/11/97/64/288119764.db2.gz SHYCBZNGMOPPAX-SRIISGBFSA-N 2 1 332.492 1.595 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371967573 288119768 /nfs/dbraw/zinc/11/97/68/288119768.db2.gz SHYCBZNGMOPPAX-SRIISGBFSA-N 2 1 332.492 1.595 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371967573 288119772 /nfs/dbraw/zinc/11/97/72/288119772.db2.gz SHYCBZNGMOPPAX-SRIISGBFSA-N 2 1 332.492 1.595 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccccn1 ZINC000340079520 279329910 /nfs/dbraw/zinc/32/99/10/279329910.db2.gz HOGZRDYGOZVJHN-HNNXBMFYSA-N 2 1 340.493 1.118 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000266879148 279330067 /nfs/dbraw/zinc/33/00/67/279330067.db2.gz ZVNPWMGXVDDHOG-ZWKOTPCHSA-N 2 1 346.475 1.225 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000266879148 279330070 /nfs/dbraw/zinc/33/00/70/279330070.db2.gz ZVNPWMGXVDDHOG-ZWKOTPCHSA-N 2 1 346.475 1.225 20 0 EDADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000266879148 279330071 /nfs/dbraw/zinc/33/00/71/279330071.db2.gz ZVNPWMGXVDDHOG-ZWKOTPCHSA-N 2 1 346.475 1.225 20 0 EDADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000266879148 279330073 /nfs/dbraw/zinc/33/00/73/279330073.db2.gz ZVNPWMGXVDDHOG-ZWKOTPCHSA-N 2 1 346.475 1.225 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)C1 ZINC000186603460 279382816 /nfs/dbraw/zinc/38/28/16/279382816.db2.gz WDLLCENTJFPUGO-QZTJIDSGSA-N 2 1 346.475 1.273 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)C1 ZINC000186603460 279382819 /nfs/dbraw/zinc/38/28/19/279382819.db2.gz WDLLCENTJFPUGO-QZTJIDSGSA-N 2 1 346.475 1.273 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)C[C@H](C)O1 ZINC000450340070 288153409 /nfs/dbraw/zinc/15/34/09/288153409.db2.gz DJJXLEKURZLPTJ-BBWFWOEESA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)[C@@H](C(=O)NCC1(C)CC[NH2+]CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000183358552 279784607 /nfs/dbraw/zinc/78/46/07/279784607.db2.gz KRMHJEHLFQTSAT-OAGGEKHMSA-N 2 1 325.497 1.626 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000359610075 280176702 /nfs/dbraw/zinc/17/67/02/280176702.db2.gz ZWMZRIMPGXDBLE-ZWKOTPCHSA-N 2 1 333.476 1.456 20 0 EDADMP Cc1ccccc1C1(O)CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000367266130 281335751 /nfs/dbraw/zinc/33/57/51/281335751.db2.gz DEJPMXISKWJYNZ-UHFFFAOYSA-N 2 1 345.487 1.443 20 0 EDADMP CN1CC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000289477159 288709506 /nfs/dbraw/zinc/70/95/06/288709506.db2.gz XQTLLMNGWXZHAI-MJGOQNOKSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000376780880 289042289 /nfs/dbraw/zinc/04/22/89/289042289.db2.gz ZYXSBFWXWVBWEX-YYIAUSFCSA-N 2 1 336.480 1.118 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000292147965 289273027 /nfs/dbraw/zinc/27/30/27/289273027.db2.gz UZVSAUGAFVXWEG-QGZVFWFLSA-N 2 1 346.519 1.893 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCOC2)c1ccccc1 ZINC000341988291 289278008 /nfs/dbraw/zinc/27/80/08/289278008.db2.gz JQZGAAZNFSISJG-AZUAARDMSA-N 2 1 345.487 1.908 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292237987 289296246 /nfs/dbraw/zinc/29/62/46/289296246.db2.gz WLRGTCPIHKFRBI-SCLBCKFNSA-N 2 1 330.432 1.140 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCN3CCc4ccccc43)C2)CC1 ZINC000292591910 289389836 /nfs/dbraw/zinc/38/98/36/289389836.db2.gz VFQWVEIXZGIVPY-LJQANCHMSA-N 2 1 328.504 1.761 20 0 EDADMP C[NH+](C)[C@]1(C(=O)NCC[C@@H]2CCC[NH2+]C2)CCOc2ccccc21 ZINC000370265176 289397693 /nfs/dbraw/zinc/39/76/93/289397693.db2.gz FZOMCKKDGBVDBX-HNAYVOBHSA-N 2 1 331.460 1.732 20 0 EDADMP C[NH+](C)[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCOc2ccccc21 ZINC000369601859 289397980 /nfs/dbraw/zinc/39/79/80/289397980.db2.gz MZLXONAVBBGOTN-MGPUTAFESA-N 2 1 343.471 1.827 20 0 EDADMP C[NH+](C)[C@]1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCOc2ccccc21 ZINC000369601859 289397984 /nfs/dbraw/zinc/39/79/84/289397984.db2.gz MZLXONAVBBGOTN-MGPUTAFESA-N 2 1 343.471 1.827 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)F)[C@@H](c2ccccc2)C1 ZINC000418709663 290017120 /nfs/dbraw/zinc/01/71/20/290017120.db2.gz KQKMPCFVERHWBM-ZIAGYGMSSA-N 2 1 326.391 1.667 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)F)[C@@H](c2ccccc2)C1 ZINC000418709663 290017123 /nfs/dbraw/zinc/01/71/23/290017123.db2.gz KQKMPCFVERHWBM-ZIAGYGMSSA-N 2 1 326.391 1.667 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)C[C@H]2[C@H]1c1ccccc1 ZINC000367186295 290285908 /nfs/dbraw/zinc/28/59/08/290285908.db2.gz NACAUBHOYQLZPT-HSFUPAIVSA-N 2 1 329.444 1.254 20 0 EDADMP OCC1([NH2+]CCOc2cccc(Br)c2)CC[NH2+]CC1 ZINC000662286458 453011106 /nfs/dbraw/zinc/01/11/06/453011106.db2.gz HWRLPCSRVDGNTG-UHFFFAOYSA-N 2 1 329.238 1.532 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[NH+]1CCSCC1 ZINC000154114296 298086269 /nfs/dbraw/zinc/08/62/69/298086269.db2.gz IOMGBEQUJRMDRW-INMHGKMJSA-N 2 1 337.533 1.899 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+]1CCSCC1 ZINC000154114296 298086270 /nfs/dbraw/zinc/08/62/70/298086270.db2.gz IOMGBEQUJRMDRW-INMHGKMJSA-N 2 1 337.533 1.899 20 0 EDADMP C[C@H]1C[NH+](C)CCN1Cc1cccc(CN2CC[N@H+](C)C[C@@H]2C)c1 ZINC000343727093 300213627 /nfs/dbraw/zinc/21/36/27/300213627.db2.gz XKXAJWTYFLSYIQ-ROUUACIJSA-N 2 1 330.520 1.958 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000420306760 304746948 /nfs/dbraw/zinc/74/69/48/304746948.db2.gz ASEPUMGZKMVDBL-LJQANCHMSA-N 2 1 347.503 1.782 20 0 EDADMP CC[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000295840662 303274151 /nfs/dbraw/zinc/27/41/51/303274151.db2.gz ZNYPOOHIVBTTDX-QGZVFWFLSA-N 2 1 335.448 1.160 20 0 EDADMP CC[C@H](CO)N(C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000295840662 303274153 /nfs/dbraw/zinc/27/41/53/303274153.db2.gz ZNYPOOHIVBTTDX-QGZVFWFLSA-N 2 1 335.448 1.160 20 0 EDADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)C1=O ZINC000365997798 303837110 /nfs/dbraw/zinc/83/71/10/303837110.db2.gz YTWMKWADQQUJDQ-KGLIPLIRSA-N 2 1 326.400 1.602 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)COC1CC[NH2+]CC1)[NH+](C)C ZINC000423310913 304892137 /nfs/dbraw/zinc/89/21/37/304892137.db2.gz SPGGJFDLTCWGCD-INIZCTEOSA-N 2 1 335.448 1.183 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000423602081 304900995 /nfs/dbraw/zinc/90/09/95/304900995.db2.gz FFCBLHOBEOPQJV-QGZVFWFLSA-N 2 1 331.460 1.900 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[N@@H+]1CCO ZINC000428532020 305010706 /nfs/dbraw/zinc/01/07/06/305010706.db2.gz LPEVTWIYMXTBOW-HNNXBMFYSA-N 2 1 340.427 1.386 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[N@H+]1CCO ZINC000428532020 305010707 /nfs/dbraw/zinc/01/07/07/305010707.db2.gz LPEVTWIYMXTBOW-HNNXBMFYSA-N 2 1 340.427 1.386 20 0 EDADMP C[C@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C[NH3+] ZINC000430546008 305056058 /nfs/dbraw/zinc/05/60/58/305056058.db2.gz CDQILYAHBNPHPJ-PKOBYXMFSA-N 2 1 344.503 1.390 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000430571851 305056473 /nfs/dbraw/zinc/05/64/73/305056473.db2.gz NAMQZJLHHBJVQL-UHFFFAOYSA-N 2 1 343.493 1.232 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@]2(CCOC)CC[NH2+]C2)C1 ZINC000430735529 305063822 /nfs/dbraw/zinc/06/38/22/305063822.db2.gz RBIUTYOIQULBRD-QAPCUYQASA-N 2 1 334.464 1.625 20 0 EDADMP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000430931112 305068905 /nfs/dbraw/zinc/06/89/05/305068905.db2.gz YTGYRVMRNNFCKK-OLZOCXBDSA-N 2 1 330.432 1.419 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3C[C@H](C)[NH2+][C@@H](C)C3)CC2)c1 ZINC000430950927 305070451 /nfs/dbraw/zinc/07/04/51/305070451.db2.gz SREXNIKGECDRBM-ROUUACIJSA-N 2 1 344.503 1.321 20 0 EDADMP C[NH+](C)CC[C@@H](NC(=O)CCCN1CCC([NH3+])CC1)C(C)(C)C ZINC000433129961 305101170 /nfs/dbraw/zinc/10/11/70/305101170.db2.gz PVUXKVIUUBCFFZ-MRXNPFEDSA-N 2 1 326.529 1.672 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@@H]1CCC[NH+]1C ZINC000433265191 305104189 /nfs/dbraw/zinc/10/41/89/305104189.db2.gz HLQZTBGKDKOVED-BHYGNILZSA-N 2 1 333.480 1.356 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000433265191 305104190 /nfs/dbraw/zinc/10/41/90/305104190.db2.gz HLQZTBGKDKOVED-BHYGNILZSA-N 2 1 333.480 1.356 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000433265191 305104191 /nfs/dbraw/zinc/10/41/91/305104191.db2.gz HLQZTBGKDKOVED-BHYGNILZSA-N 2 1 333.480 1.356 20 0 EDADMP CC(C)[NH+](CCNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C(C)C ZINC000433284242 305104784 /nfs/dbraw/zinc/10/47/84/305104784.db2.gz QGGULUUEXBLLNY-KRWDZBQOSA-N 2 1 342.528 1.905 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CCSC1 ZINC000433919116 305114601 /nfs/dbraw/zinc/11/46/01/305114601.db2.gz KLPNICSRJXOVMC-RDJZCZTQSA-N 2 1 340.537 1.740 20 0 EDADMP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000434693654 305127825 /nfs/dbraw/zinc/12/78/25/305127825.db2.gz OBHCUOXDCULIET-CXAGYDPISA-N 2 1 328.420 1.777 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)n1C ZINC000435548924 305142173 /nfs/dbraw/zinc/14/21/73/305142173.db2.gz HSVGOOBPRGQKAA-OAHLLOKOSA-N 2 1 348.495 1.359 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)n1C ZINC000435548924 305142174 /nfs/dbraw/zinc/14/21/74/305142174.db2.gz HSVGOOBPRGQKAA-OAHLLOKOSA-N 2 1 348.495 1.359 20 0 EDADMP CC(C)[C@@H](C(=O)NCC1([NH+](C)C)CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000438511544 305186625 /nfs/dbraw/zinc/18/66/25/305186625.db2.gz DDKGLPHZUBSJJF-XHSDSOJGSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[C@@H](C(=O)NCC1([NH+](C)C)CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000438511544 305186626 /nfs/dbraw/zinc/18/66/26/305186626.db2.gz DDKGLPHZUBSJJF-XHSDSOJGSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000439399619 305197257 /nfs/dbraw/zinc/19/72/57/305197257.db2.gz FAMMBPMMOUDIMY-WBVHZDCISA-N 2 1 341.496 1.007 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000445090473 305256230 /nfs/dbraw/zinc/25/62/30/305256230.db2.gz JMJFOGAJLMENMJ-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000445090473 305256231 /nfs/dbraw/zinc/25/62/31/305256231.db2.gz JMJFOGAJLMENMJ-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000445090473 305256232 /nfs/dbraw/zinc/25/62/32/305256232.db2.gz JMJFOGAJLMENMJ-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448260482 305294961 /nfs/dbraw/zinc/29/49/61/305294961.db2.gz LZIUMTZUNIJKSK-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448260482 305294962 /nfs/dbraw/zinc/29/49/62/305294962.db2.gz LZIUMTZUNIJKSK-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)n1C ZINC000449351452 305312257 /nfs/dbraw/zinc/31/22/57/305312257.db2.gz PMSJTAWDBXQRSB-SFHVURJKSA-N 2 1 327.432 1.034 20 0 EDADMP [NH3+]CC[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(F)(F)F ZINC000449732004 305318233 /nfs/dbraw/zinc/31/82/33/305318233.db2.gz YIDDZRORAHKWIV-KBPBESRZSA-N 2 1 345.365 1.283 20 0 EDADMP [NH3+]CC[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(F)(F)F ZINC000449732004 305318234 /nfs/dbraw/zinc/31/82/34/305318234.db2.gz YIDDZRORAHKWIV-KBPBESRZSA-N 2 1 345.365 1.283 20 0 EDADMP COC[C@@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452103070 305383015 /nfs/dbraw/zinc/38/30/15/305383015.db2.gz LPJLYKDWNXKWAD-QZTJIDSGSA-N 2 1 342.524 1.844 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495349419 305636782 /nfs/dbraw/zinc/63/67/82/305636782.db2.gz ZJOIPRPICKXWPC-UHFFFAOYSA-N 2 1 342.484 1.043 20 0 EDADMP [NH3+]Cc1nc(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cs1 ZINC000516749439 305740674 /nfs/dbraw/zinc/74/06/74/305740674.db2.gz OBJFQMQLEVQIEP-GXTWGEPZSA-N 2 1 348.447 1.864 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000458434660 447365294 /nfs/dbraw/zinc/36/52/94/447365294.db2.gz YQJKTFQPVOYLQT-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000458434660 447365301 /nfs/dbraw/zinc/36/53/01/447365301.db2.gz YQJKTFQPVOYLQT-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000541680606 306046651 /nfs/dbraw/zinc/04/66/51/306046651.db2.gz ODRXEXDPRYBZBK-CQSZACIVSA-N 2 1 334.464 1.331 20 0 EDADMP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000543027389 306060150 /nfs/dbraw/zinc/06/01/50/306060150.db2.gz RNVCSJKAILBFLN-QZTJIDSGSA-N 2 1 330.476 1.704 20 0 EDADMP CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000544602504 306077202 /nfs/dbraw/zinc/07/72/02/306077202.db2.gz MDFQBNYDWVAMCL-IIAWOOMASA-N 2 1 331.526 1.366 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000548978481 306143014 /nfs/dbraw/zinc/14/30/14/306143014.db2.gz MEBDSNVENZIKNX-GXFFZTMASA-N 2 1 349.859 1.297 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](C)C[C@H](C)O)CC2)CC1 ZINC000553497635 306185748 /nfs/dbraw/zinc/18/57/48/306185748.db2.gz FSEULPCNCWVMKL-CVEARBPZSA-N 2 1 339.524 1.706 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C[C@@H](C)O1 ZINC000557137679 306224882 /nfs/dbraw/zinc/22/48/82/306224882.db2.gz AGMXLRWOHXVNQQ-UPJWGTAASA-N 2 1 348.438 1.171 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000557147282 306225036 /nfs/dbraw/zinc/22/50/36/306225036.db2.gz NAOOVUITHJHSTG-IRXDYDNUSA-N 2 1 331.464 1.612 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000557147282 306225037 /nfs/dbraw/zinc/22/50/37/306225037.db2.gz NAOOVUITHJHSTG-IRXDYDNUSA-N 2 1 331.464 1.612 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000557214709 306226536 /nfs/dbraw/zinc/22/65/36/306226536.db2.gz HARFHQNNDRRJSD-GOSISDBHSA-N 2 1 348.491 1.441 20 0 EDADMP COC(=O)C1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000426033583 447383008 /nfs/dbraw/zinc/38/30/08/447383008.db2.gz CFHQENCPDZNTIH-QLOJAFMTSA-N 2 1 346.471 1.945 20 0 EDADMP COC(=O)C1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000426033583 447383012 /nfs/dbraw/zinc/38/30/12/447383012.db2.gz CFHQENCPDZNTIH-QLOJAFMTSA-N 2 1 346.471 1.945 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000665356021 453664163 /nfs/dbraw/zinc/66/41/63/453664163.db2.gz DUPSYLVJRLXLFZ-GJZGRUSLSA-N 2 1 326.485 1.005 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000422184148 447392430 /nfs/dbraw/zinc/39/24/30/447392430.db2.gz XSCYFLVYLJSDMW-ROUUACIJSA-N 2 1 332.492 1.895 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)C[C@@H]2CCC[NH+]2C)CCCO1 ZINC000422207833 447402894 /nfs/dbraw/zinc/40/28/94/447402894.db2.gz QPYCHPCKYDHDFM-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC000422207833 447402900 /nfs/dbraw/zinc/40/29/00/447402900.db2.gz QPYCHPCKYDHDFM-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CCCO1 ZINC000422207833 447402905 /nfs/dbraw/zinc/40/29/05/447402905.db2.gz QPYCHPCKYDHDFM-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@H]1C ZINC000419802706 447422698 /nfs/dbraw/zinc/42/26/98/447422698.db2.gz MEOYEJBMMGERNE-HUUCEWRRSA-N 2 1 338.496 1.095 20 0 EDADMP CCCC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000046773375 441122934 /nfs/dbraw/zinc/12/29/34/441122934.db2.gz FSKYPYIEJXDZDU-QGZVFWFLSA-N 2 1 325.497 1.724 20 0 EDADMP CCCC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000046773375 441122938 /nfs/dbraw/zinc/12/29/38/441122938.db2.gz FSKYPYIEJXDZDU-QGZVFWFLSA-N 2 1 325.497 1.724 20 0 EDADMP CCCC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000046773375 441122940 /nfs/dbraw/zinc/12/29/40/441122940.db2.gz FSKYPYIEJXDZDU-QGZVFWFLSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000105134361 441237760 /nfs/dbraw/zinc/23/77/60/441237760.db2.gz PJQLMWOIZOWLBJ-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCOc2ccc(C)cc2)CC1 ZINC000016421982 441223325 /nfs/dbraw/zinc/22/33/25/441223325.db2.gz QFBXAMXWBNNCLT-UHFFFAOYSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCOc2ccc(C)cc2)CC1 ZINC000016421982 441223330 /nfs/dbraw/zinc/22/33/30/441223330.db2.gz QFBXAMXWBNNCLT-UHFFFAOYSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCOc2ccccc2F)CC1 ZINC000016422889 441223439 /nfs/dbraw/zinc/22/34/39/441223439.db2.gz SBTIUYAWEFNMII-UHFFFAOYSA-N 2 1 337.439 1.737 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCOc2ccccc2F)CC1 ZINC000016422889 441223444 /nfs/dbraw/zinc/22/34/44/441223444.db2.gz SBTIUYAWEFNMII-UHFFFAOYSA-N 2 1 337.439 1.737 20 0 EDADMP C[C@@H](c1ccccc1)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000104961254 441224669 /nfs/dbraw/zinc/22/46/69/441224669.db2.gz PEENRUXNAHKSQC-FUHWJXTLSA-N 2 1 331.460 1.349 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)[NH+]1CCc2ccccc2C1 ZINC000072886832 441273134 /nfs/dbraw/zinc/27/31/34/441273134.db2.gz KRXQKZWVOROBFJ-MOPGFXCFSA-N 2 1 345.487 1.660 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)[NH+]1CCc2ccccc2C1 ZINC000072886832 441273138 /nfs/dbraw/zinc/27/31/38/441273138.db2.gz KRXQKZWVOROBFJ-MOPGFXCFSA-N 2 1 345.487 1.660 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]1C[NH+](CC)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000072886832 441273142 /nfs/dbraw/zinc/27/31/42/441273142.db2.gz KRXQKZWVOROBFJ-MOPGFXCFSA-N 2 1 345.487 1.660 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]1C[NH+](CC)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000072886832 441273145 /nfs/dbraw/zinc/27/31/45/441273145.db2.gz KRXQKZWVOROBFJ-MOPGFXCFSA-N 2 1 345.487 1.660 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000073611262 441332351 /nfs/dbraw/zinc/33/23/51/441332351.db2.gz VHAWBLVSAXFZAS-UHFFFAOYSA-N 2 1 325.497 1.870 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCN(CC[NH+](C)C)CC1 ZINC000073427702 441316284 /nfs/dbraw/zinc/31/62/84/441316284.db2.gz NQIZODXYLAAYEN-UHFFFAOYSA-N 2 1 335.496 1.493 20 0 EDADMP CC(C)[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C[C@H](C)O ZINC000107050150 441397781 /nfs/dbraw/zinc/39/77/81/441397781.db2.gz LHYAERBRMPRHKZ-ROUUACIJSA-N 2 1 347.503 1.983 20 0 EDADMP CC(C)[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C[C@H](C)O ZINC000107050150 441397785 /nfs/dbraw/zinc/39/77/85/441397785.db2.gz LHYAERBRMPRHKZ-ROUUACIJSA-N 2 1 347.503 1.983 20 0 EDADMP C[C@@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[N@@H+]1CCC[C@H](C)C1 ZINC000083700799 441369098 /nfs/dbraw/zinc/36/90/98/441369098.db2.gz BSADHYXYEVPEOH-KBPBESRZSA-N 2 1 336.484 1.406 20 0 EDADMP C[C@@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[N@H+]1CCC[C@H](C)C1 ZINC000083700799 441369103 /nfs/dbraw/zinc/36/91/03/441369103.db2.gz BSADHYXYEVPEOH-KBPBESRZSA-N 2 1 336.484 1.406 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083716594 441369827 /nfs/dbraw/zinc/36/98/27/441369827.db2.gz NMUBLNDAVJBEQX-UHFFFAOYSA-N 2 1 336.484 1.550 20 0 EDADMP C[NH+]1CCN(CC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000109955055 441512413 /nfs/dbraw/zinc/51/24/13/441512413.db2.gz FVILHQZORRDPNS-UHFFFAOYSA-N 2 1 336.524 1.348 20 0 EDADMP C[NH+]1CCN(CC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000109955055 441512419 /nfs/dbraw/zinc/51/24/19/441512419.db2.gz FVILHQZORRDPNS-UHFFFAOYSA-N 2 1 336.524 1.348 20 0 EDADMP CC[NH+](CC)CCOc1ccc(NC(=O)CN2CC[NH+](C)CC2)cc1 ZINC000109944518 441512144 /nfs/dbraw/zinc/51/21/44/441512144.db2.gz LZXXJKRANJXFPR-UHFFFAOYSA-N 2 1 348.491 1.593 20 0 EDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000113512544 441613297 /nfs/dbraw/zinc/61/32/97/441613297.db2.gz SXUVKXKBZNVFPI-OAHLLOKOSA-N 2 1 329.444 1.946 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CCC[N@H+](C2CC2)CC1)N1CCOCC1 ZINC000173336480 441717846 /nfs/dbraw/zinc/71/78/46/441717846.db2.gz KEQDAJFYBKCDLZ-SFHVURJKSA-N 2 1 337.508 1.820 20 0 EDADMP CS[C@H]1CCCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000092064178 441768166 /nfs/dbraw/zinc/76/81/66/441768166.db2.gz WYCNUOUNWRPQCV-INIZCTEOSA-N 2 1 335.521 1.946 20 0 EDADMP CS[C@H]1CCCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000092064178 441768170 /nfs/dbraw/zinc/76/81/70/441768170.db2.gz WYCNUOUNWRPQCV-INIZCTEOSA-N 2 1 335.521 1.946 20 0 EDADMP CN1CCN(C(=O)C[N@H+](C)Cc2ccccc2N2CCCC2)CC1 ZINC000121517301 441722468 /nfs/dbraw/zinc/72/24/68/441722468.db2.gz FJVKOETWIRBOAB-UHFFFAOYSA-N 2 1 330.476 1.493 20 0 EDADMP CN1CCN(C(=O)C[N@@H+](C)Cc2ccccc2N2CCCC2)CC1 ZINC000121517301 441722476 /nfs/dbraw/zinc/72/24/76/441722476.db2.gz FJVKOETWIRBOAB-UHFFFAOYSA-N 2 1 330.476 1.493 20 0 EDADMP COc1ccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000173384088 441729839 /nfs/dbraw/zinc/72/98/39/441729839.db2.gz OSDMMSJBXKBPKY-CQSZACIVSA-N 2 1 335.448 1.519 20 0 EDADMP Cc1cc(N2CC[C@H]([NH+]3CCC(C[NH+]4CCCC4)CC3)C2=O)n(C)n1 ZINC000173533826 441781679 /nfs/dbraw/zinc/78/16/79/441781679.db2.gz KHDIIVSNAPSABS-KRWDZBQOSA-N 2 1 345.491 1.642 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000122724925 441860279 /nfs/dbraw/zinc/86/02/79/441860279.db2.gz YVYKWZBANAVQSH-IBGZPJMESA-N 2 1 344.503 1.881 20 0 EDADMP CC[C@H](NC(=O)Cn1ccnc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123868804 441902469 /nfs/dbraw/zinc/90/24/69/441902469.db2.gz OCMHZXVMWWTSNU-ZWKOTPCHSA-N 2 1 342.443 1.679 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000174181623 441899180 /nfs/dbraw/zinc/89/91/80/441899180.db2.gz NEQPEANABKBDKY-KRWDZBQOSA-N 2 1 344.503 1.900 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000174770093 441966679 /nfs/dbraw/zinc/96/66/79/441966679.db2.gz WJUJENKRVXDFGS-GOSISDBHSA-N 2 1 345.487 1.660 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000174770093 441966681 /nfs/dbraw/zinc/96/66/81/441966681.db2.gz WJUJENKRVXDFGS-GOSISDBHSA-N 2 1 345.487 1.660 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000174770093 441966682 /nfs/dbraw/zinc/96/66/82/441966682.db2.gz WJUJENKRVXDFGS-GOSISDBHSA-N 2 1 345.487 1.660 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000174770093 441966684 /nfs/dbraw/zinc/96/66/84/441966684.db2.gz WJUJENKRVXDFGS-GOSISDBHSA-N 2 1 345.487 1.660 20 0 EDADMP CCN(C1CC[NH+](CCCn2cc[nH+]c2C)CC1)S(C)(=O)=O ZINC000125153074 441990809 /nfs/dbraw/zinc/99/08/09/441990809.db2.gz RQQXCKHOGXQIOY-UHFFFAOYSA-N 2 1 328.482 1.328 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc2)CC1 ZINC000097105356 442169366 /nfs/dbraw/zinc/16/93/66/442169366.db2.gz KZWBOXMSDIWYNZ-UHFFFAOYSA-N 2 1 346.519 1.752 20 0 EDADMP CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCN(C)CC2)C12CCCCC2 ZINC000121137942 442181983 /nfs/dbraw/zinc/18/19/83/442181983.db2.gz DPGLYICQZAVNPP-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N(C)CC[NH+](C)C)c2)CCO1 ZINC000176270069 442203151 /nfs/dbraw/zinc/20/31/51/442203151.db2.gz XSLWZXIZPBLYJO-INIZCTEOSA-N 2 1 348.491 1.610 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N(C)CC[NH+](C)C)c2)CCO1 ZINC000176270069 442203155 /nfs/dbraw/zinc/20/31/55/442203155.db2.gz XSLWZXIZPBLYJO-INIZCTEOSA-N 2 1 348.491 1.610 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000167703178 442222173 /nfs/dbraw/zinc/22/21/73/442222173.db2.gz OTXVZMJJQOFVPD-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCC[C@@H]1CCC[NH2+]C1 ZINC000152690710 442238116 /nfs/dbraw/zinc/23/81/16/442238116.db2.gz CKJKWOZTDMZWJJ-PKOBYXMFSA-N 2 1 345.487 1.783 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[C@@H]1CCC[NH2+]C1 ZINC000152690710 442238117 /nfs/dbraw/zinc/23/81/17/442238117.db2.gz CKJKWOZTDMZWJJ-PKOBYXMFSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@@H]1CCC[N@H+]1C1CCN(C[C@H](O)COC2CCOCC2)CC1 ZINC000153245451 442270113 /nfs/dbraw/zinc/27/01/13/442270113.db2.gz OEMKXNMICLFBFI-WBVHZDCISA-N 2 1 326.481 1.492 20 0 EDADMP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000129156289 442303051 /nfs/dbraw/zinc/30/30/51/442303051.db2.gz IAOKFJYAPYYJDQ-INIZCTEOSA-N 2 1 333.480 1.869 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000129156289 442303052 /nfs/dbraw/zinc/30/30/52/442303052.db2.gz IAOKFJYAPYYJDQ-INIZCTEOSA-N 2 1 333.480 1.869 20 0 EDADMP O=C(C[N@H+]1CC[C@H](CN2CCOCC2)C1)N1CCc2ccccc2C1 ZINC000129568074 442323029 /nfs/dbraw/zinc/32/30/29/442323029.db2.gz RXMNCFCNWNDDNJ-QGZVFWFLSA-N 2 1 343.471 1.225 20 0 EDADMP O=C(CN1CC[C@H](C[NH+]2CCOCC2)C1)N1CCc2ccccc2C1 ZINC000129568074 442323033 /nfs/dbraw/zinc/32/30/33/442323033.db2.gz RXMNCFCNWNDDNJ-QGZVFWFLSA-N 2 1 343.471 1.225 20 0 EDADMP COCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000171213338 442328957 /nfs/dbraw/zinc/32/89/57/442328957.db2.gz WUPHUACNQMAEFG-KRWDZBQOSA-N 2 1 334.464 1.263 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000171213338 442328961 /nfs/dbraw/zinc/32/89/61/442328961.db2.gz WUPHUACNQMAEFG-KRWDZBQOSA-N 2 1 334.464 1.263 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000171213338 442328962 /nfs/dbraw/zinc/32/89/62/442328962.db2.gz WUPHUACNQMAEFG-KRWDZBQOSA-N 2 1 334.464 1.263 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000171213338 442328964 /nfs/dbraw/zinc/32/89/64/442328964.db2.gz WUPHUACNQMAEFG-KRWDZBQOSA-N 2 1 334.464 1.263 20 0 EDADMP C[NH+]1CCC([NH2+]CCNC(=O)c2cccc(Br)c2)CC1 ZINC000177333528 442329515 /nfs/dbraw/zinc/32/95/15/442329515.db2.gz OTAOXBABANEKIV-UHFFFAOYSA-N 2 1 340.265 1.863 20 0 EDADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154336403 442333452 /nfs/dbraw/zinc/33/34/52/442333452.db2.gz MQWAMRIZLQJQQQ-YPMHNXCESA-N 2 1 343.855 1.578 20 0 EDADMP CC[C@H](C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000155144067 442377846 /nfs/dbraw/zinc/37/78/46/442377846.db2.gz KOUYKSHCURCZEW-GOSISDBHSA-N 2 1 332.492 1.607 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCc1ncccc1F ZINC000132108871 442387004 /nfs/dbraw/zinc/38/70/04/442387004.db2.gz KTEWVZSXDBJSEH-UHFFFAOYSA-N 2 1 337.443 1.388 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NCCC[NH+](C)C)cc2F)CC1 ZINC000172124513 442411719 /nfs/dbraw/zinc/41/17/19/442411719.db2.gz BUCJPJFEOMDPPK-UHFFFAOYSA-N 2 1 336.455 1.649 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCc3cccnc3)CC2)CC1 ZINC000172164560 442417966 /nfs/dbraw/zinc/41/79/66/442417966.db2.gz DMMBQGBWVRSBFP-UHFFFAOYSA-N 2 1 330.476 1.500 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OC(C)=O)cc3)C2)CC1 ZINC000155682655 442418963 /nfs/dbraw/zinc/41/89/63/442418963.db2.gz JQUPBIRTMOFKDF-SFHVURJKSA-N 2 1 331.460 1.824 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000156210413 442455056 /nfs/dbraw/zinc/45/50/56/442455056.db2.gz YWMQYJZHXZYCAA-SZMVWBNQSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000156210413 442455057 /nfs/dbraw/zinc/45/50/57/442455057.db2.gz YWMQYJZHXZYCAA-SZMVWBNQSA-N 2 1 331.460 1.473 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@](C)(O)C3CCCCC3)cn2)CC1 ZINC000191669866 442487462 /nfs/dbraw/zinc/48/74/62/442487462.db2.gz GMGBCXKXRVUKJG-IBGZPJMESA-N 2 1 347.507 1.649 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000178966269 442539810 /nfs/dbraw/zinc/53/98/10/442539810.db2.gz USTHVKZPQTUONL-QGZVFWFLSA-N 2 1 330.476 1.116 20 0 EDADMP CCCN(C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000178885047 442514939 /nfs/dbraw/zinc/51/49/39/442514939.db2.gz KLVQRMXNZKOOOG-IBGZPJMESA-N 2 1 344.503 1.648 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000173266460 442635742 /nfs/dbraw/zinc/63/57/42/442635742.db2.gz CULKCTTVDZGBCX-SJORKVTESA-N 2 1 344.459 1.543 20 0 EDADMP CC(C)N1CCC[C@H]([N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)C1=O ZINC000179302870 442616554 /nfs/dbraw/zinc/61/65/54/442616554.db2.gz KMXOEYMBCNWOFH-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)N1CCC[C@H]([N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)C1=O ZINC000179302870 442616560 /nfs/dbraw/zinc/61/65/60/442616560.db2.gz KMXOEYMBCNWOFH-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000187411004 442674867 /nfs/dbraw/zinc/67/48/67/442674867.db2.gz BXXUSPIXBXWCOE-JKSUJKDBSA-N 2 1 340.512 1.253 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187411004 442674869 /nfs/dbraw/zinc/67/48/69/442674869.db2.gz BXXUSPIXBXWCOE-JKSUJKDBSA-N 2 1 340.512 1.253 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187411004 442674872 /nfs/dbraw/zinc/67/48/72/442674872.db2.gz BXXUSPIXBXWCOE-JKSUJKDBSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000181613757 442706866 /nfs/dbraw/zinc/70/68/66/442706866.db2.gz QUWKAWGYQMYUJQ-SFHVURJKSA-N 2 1 348.491 1.393 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181613757 442706868 /nfs/dbraw/zinc/70/68/68/442706868.db2.gz QUWKAWGYQMYUJQ-SFHVURJKSA-N 2 1 348.491 1.393 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000181613757 442706870 /nfs/dbraw/zinc/70/68/70/442706870.db2.gz QUWKAWGYQMYUJQ-SFHVURJKSA-N 2 1 348.491 1.393 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc2n[nH]nc21 ZINC000187651376 442684663 /nfs/dbraw/zinc/68/46/63/442684663.db2.gz STYLMYILLIZISA-CQSZACIVSA-N 2 1 344.463 1.446 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc2nn[nH]c21 ZINC000187651376 442684666 /nfs/dbraw/zinc/68/46/66/442684666.db2.gz STYLMYILLIZISA-CQSZACIVSA-N 2 1 344.463 1.446 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc2nn[nH]c21 ZINC000187651376 442684667 /nfs/dbraw/zinc/68/46/67/442684667.db2.gz STYLMYILLIZISA-CQSZACIVSA-N 2 1 344.463 1.446 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000187794581 442692687 /nfs/dbraw/zinc/69/26/87/442692687.db2.gz LQQAMMUHXSRSNR-OWCLPIDISA-N 2 1 326.485 1.079 20 0 EDADMP CC[NH+]1CCC(NC(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC1 ZINC000136389293 442662071 /nfs/dbraw/zinc/66/20/71/442662071.db2.gz RZFJRTOZFWIHBM-UHFFFAOYSA-N 2 1 331.464 1.706 20 0 EDADMP OC(C[NH+](C[C@@H]1CCOC1)C1CC1)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000181780387 442715893 /nfs/dbraw/zinc/71/58/93/442715893.db2.gz UBIMGYGTKCULDQ-HOTGVXAUSA-N 2 1 338.492 1.349 20 0 EDADMP CC(C)[NH+](CC(N)=O)Cc1ccccc1C[N@H+](CC(N)=O)C(C)C ZINC000193612818 442759253 /nfs/dbraw/zinc/75/92/53/442759253.db2.gz KSKGNECFMHGHBJ-UHFFFAOYSA-N 2 1 334.464 1.078 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246459488 442782949 /nfs/dbraw/zinc/78/29/49/442782949.db2.gz UXTMNHRHMANMFK-BZUAXINKSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[N@@H+](C)Cc1ccccc1 ZINC000188770052 442809124 /nfs/dbraw/zinc/80/91/24/442809124.db2.gz TZCXKFVHOUUXGU-CYBMUJFWSA-N 2 1 327.432 1.306 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000247518287 442859644 /nfs/dbraw/zinc/85/96/44/442859644.db2.gz NULBYURXIWSJOP-KZNAEPCWSA-N 2 1 337.508 1.745 20 0 EDADMP CC(C)CO[C@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000181686943 318487603 /nfs/dbraw/zinc/48/76/03/318487603.db2.gz GPFSBXGHCADRED-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CCCC2(C)C)C1 ZINC000248948186 442940050 /nfs/dbraw/zinc/94/00/50/442940050.db2.gz AURNJQBQRTYREP-CVEARBPZSA-N 2 1 325.497 1.628 20 0 EDADMP Cc1cc2ncn(C[C@@H](O)C[N@@H+](CC(N)=O)C(C)(C)C)c2cc1C ZINC000268466678 442998902 /nfs/dbraw/zinc/99/89/02/442998902.db2.gz GVULYCMCVWIEOQ-CQSZACIVSA-N 2 1 332.448 1.600 20 0 EDADMP C[C@@H](O)C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184606967 443048502 /nfs/dbraw/zinc/04/85/02/443048502.db2.gz GNVOKXWXNIILJO-NXHRZFHOSA-N 2 1 333.476 1.641 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@](C)(O)c3ccsc3)cn2)CC1 ZINC000268541410 443027525 /nfs/dbraw/zinc/02/75/25/443027525.db2.gz KUBVZHJLSVPXHZ-QGZVFWFLSA-N 2 1 347.488 1.287 20 0 EDADMP CCOCCNC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189957762 443037315 /nfs/dbraw/zinc/03/73/15/443037315.db2.gz CZYSNPHUOOTCLE-IRXDYDNUSA-N 2 1 347.503 1.885 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)NCCC[N@@H+](C)C(C)C)c1 ZINC000268749899 443097092 /nfs/dbraw/zinc/09/70/92/443097092.db2.gz HDDHLRPPQSDBRL-AWEZNQCLSA-N 2 1 327.494 1.976 20 0 EDADMP CNC(=O)NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184744920 443070478 /nfs/dbraw/zinc/07/04/78/443070478.db2.gz WNBQLTZJEJYQPS-ZIAGYGMSSA-N 2 1 332.448 1.188 20 0 EDADMP CC[C@@]1(CO)CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000190218910 443072901 /nfs/dbraw/zinc/07/29/01/443072901.db2.gz WVBNKWKUGWZSID-GOSISDBHSA-N 2 1 333.480 1.213 20 0 EDADMP CC[C@@]1(CO)CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000190218910 443072905 /nfs/dbraw/zinc/07/29/05/443072905.db2.gz WVBNKWKUGWZSID-GOSISDBHSA-N 2 1 333.480 1.213 20 0 EDADMP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000266427687 443124244 /nfs/dbraw/zinc/12/42/44/443124244.db2.gz HTKVXZYOKCDGCF-CQSZACIVSA-N 2 1 344.459 1.470 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000266427687 443124247 /nfs/dbraw/zinc/12/42/47/443124247.db2.gz HTKVXZYOKCDGCF-CQSZACIVSA-N 2 1 344.459 1.470 20 0 EDADMP CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261877378 443172628 /nfs/dbraw/zinc/17/26/28/443172628.db2.gz DXNUBUDTMSFJPF-XMTFNYHQSA-N 2 1 325.497 1.090 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649477 443196690 /nfs/dbraw/zinc/19/66/90/443196690.db2.gz XVDLJYAFSZBVMU-QWHCGFSZSA-N 2 1 345.447 1.457 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC[N@@H+]1C ZINC000185293231 443178131 /nfs/dbraw/zinc/17/81/31/443178131.db2.gz DYDIWKZUQKOWFU-HOCLYGCPSA-N 2 1 337.489 1.799 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC[N@H+]1C ZINC000185293231 443178135 /nfs/dbraw/zinc/17/81/35/443178135.db2.gz DYDIWKZUQKOWFU-HOCLYGCPSA-N 2 1 337.489 1.799 20 0 EDADMP COc1cc2c(cc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])OCO2 ZINC000261981655 443178438 /nfs/dbraw/zinc/17/84/38/443178438.db2.gz JFUOFPTZUMHWOV-AWEZNQCLSA-N 2 1 349.431 1.243 20 0 EDADMP COc1cc2c(cc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])OCO2 ZINC000261981655 443178441 /nfs/dbraw/zinc/17/84/41/443178441.db2.gz JFUOFPTZUMHWOV-AWEZNQCLSA-N 2 1 349.431 1.243 20 0 EDADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC[N@H+]1C ZINC000269055313 443185013 /nfs/dbraw/zinc/18/50/13/443185013.db2.gz SAGYKBCQJZRQQK-AFYVEPGGSA-N 3 1 331.504 1.942 20 0 EDADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC[NH+]1C ZINC000269055313 443185018 /nfs/dbraw/zinc/18/50/18/443185018.db2.gz SAGYKBCQJZRQQK-AFYVEPGGSA-N 3 1 331.504 1.942 20 0 EDADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC[NH+]1C ZINC000269055313 443185020 /nfs/dbraw/zinc/18/50/20/443185020.db2.gz SAGYKBCQJZRQQK-AFYVEPGGSA-N 3 1 331.504 1.942 20 0 EDADMP C[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)[N@H+]1CCCC[C@@H]1C ZINC000262417676 443193713 /nfs/dbraw/zinc/19/37/13/443193713.db2.gz ZUGYUMKVYRWZHQ-HOTGVXAUSA-N 2 1 333.480 1.341 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[C@@H]1[NH3+] ZINC000269213482 443235114 /nfs/dbraw/zinc/23/51/14/443235114.db2.gz ONICJICDONHRDO-QAPCUYQASA-N 2 1 330.476 1.243 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000269115282 443202375 /nfs/dbraw/zinc/20/23/75/443202375.db2.gz UBYYDEZKAUHGRL-UHFFFAOYSA-N 2 1 346.519 1.944 20 0 EDADMP C[C@@H](c1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)cc1)[NH+]1CCOCC1 ZINC000269239013 443245982 /nfs/dbraw/zinc/24/59/82/443245982.db2.gz ACSFRWZBBVWRPV-WMLDXEAASA-N 2 1 333.432 1.397 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)COC1CC[NH2+]CC1 ZINC000382729462 319125140 /nfs/dbraw/zinc/12/51/40/319125140.db2.gz YZXLKBHDHMBIOE-MRXNPFEDSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)COC1CC[NH2+]CC1 ZINC000382729462 319125141 /nfs/dbraw/zinc/12/51/41/319125141.db2.gz YZXLKBHDHMBIOE-MRXNPFEDSA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000383719864 319125964 /nfs/dbraw/zinc/12/59/64/319125964.db2.gz YDTNHHHEEGFYDR-AQNXPRMDSA-N 2 1 331.504 1.753 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000383719864 319125966 /nfs/dbraw/zinc/12/59/66/319125966.db2.gz YDTNHHHEEGFYDR-AQNXPRMDSA-N 2 1 331.504 1.753 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000383719864 319125969 /nfs/dbraw/zinc/12/59/69/319125969.db2.gz YDTNHHHEEGFYDR-AQNXPRMDSA-N 3 1 331.504 1.753 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)[NH3+] ZINC000399546028 319137666 /nfs/dbraw/zinc/13/76/66/319137666.db2.gz YOWFKOMMJGYSIO-QAPCUYQASA-N 2 1 333.476 1.754 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)[NH3+] ZINC000399546030 319137690 /nfs/dbraw/zinc/13/76/90/319137690.db2.gz YOWFKOMMJGYSIO-YJBOKZPZSA-N 2 1 333.476 1.754 20 0 EDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401687989 319138000 /nfs/dbraw/zinc/13/80/00/319138000.db2.gz YFVGPZKXVSEKGO-MRXNPFEDSA-N 2 1 328.416 1.963 20 0 EDADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000411455626 319182904 /nfs/dbraw/zinc/18/29/04/319182904.db2.gz YQGWDLQTEMKCEZ-IRXDYDNUSA-N 2 1 340.508 1.882 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000269253974 443252376 /nfs/dbraw/zinc/25/23/76/443252376.db2.gz QZLCUCOLDUSGER-ROUUACIJSA-N 2 1 341.459 1.012 20 0 EDADMP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000266816823 443253457 /nfs/dbraw/zinc/25/34/57/443253457.db2.gz HFHDOFLLKXCXRT-IBGZPJMESA-N 2 1 344.503 1.718 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC2CC[NH2+]CC2)c1 ZINC000269257638 443253762 /nfs/dbraw/zinc/25/37/62/443253762.db2.gz UDYRBSHFEUDCMX-QGZVFWFLSA-N 2 1 344.459 1.465 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC2CC[NH2+]CC2)c1 ZINC000269257638 443253767 /nfs/dbraw/zinc/25/37/67/443253767.db2.gz UDYRBSHFEUDCMX-QGZVFWFLSA-N 2 1 344.459 1.465 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000411921003 319213910 /nfs/dbraw/zinc/21/39/10/319213910.db2.gz CXCFRAAWWWMVHJ-RTBURBONSA-N 2 1 345.487 1.783 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000411921003 319213912 /nfs/dbraw/zinc/21/39/12/319213912.db2.gz CXCFRAAWWWMVHJ-RTBURBONSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@@H](C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413685956 319287692 /nfs/dbraw/zinc/28/76/92/319287692.db2.gz AHUWPWWIQYFKAL-BBWFWOEESA-N 2 1 338.540 1.780 20 0 EDADMP C[C@@H](C(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413685956 319287693 /nfs/dbraw/zinc/28/76/93/319287693.db2.gz AHUWPWWIQYFKAL-BBWFWOEESA-N 2 1 338.540 1.780 20 0 EDADMP C[C@@H](C(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413685956 319287696 /nfs/dbraw/zinc/28/76/96/319287696.db2.gz AHUWPWWIQYFKAL-BBWFWOEESA-N 2 1 338.540 1.780 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000415735922 319367818 /nfs/dbraw/zinc/36/78/18/319367818.db2.gz ZVPZNSJRCCQHIX-UONOGXRCSA-N 2 1 346.475 1.709 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)C[C@@H](C)O1 ZINC000246160705 443273769 /nfs/dbraw/zinc/27/37/69/443273769.db2.gz DYDLIOZAVFXTEO-QBPKDAKJSA-N 2 1 340.512 1.467 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000264433493 443290042 /nfs/dbraw/zinc/29/00/42/443290042.db2.gz AXBRXVYRMCUEKD-IBGZPJMESA-N 2 1 345.487 1.736 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@]3(C)CC[NH2+]C3)C2)cc(OC)c1 ZINC000269275792 443263333 /nfs/dbraw/zinc/26/33/33/443263333.db2.gz WVKDJLUOCZQYOE-DNVCBOLYSA-N 2 1 347.459 1.394 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@]3(C)CC[NH2+]C3)C2)cc(OC)c1 ZINC000269275792 443263335 /nfs/dbraw/zinc/26/33/35/443263335.db2.gz WVKDJLUOCZQYOE-DNVCBOLYSA-N 2 1 347.459 1.394 20 0 EDADMP O=C(CN1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000269469723 443316167 /nfs/dbraw/zinc/31/61/67/443316167.db2.gz UKTCZKWLEDLTFU-IBGZPJMESA-N 2 1 342.487 1.111 20 0 EDADMP O=C(CN1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000269469723 443316168 /nfs/dbraw/zinc/31/61/68/443316168.db2.gz UKTCZKWLEDLTFU-IBGZPJMESA-N 2 1 342.487 1.111 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000416935874 319478822 /nfs/dbraw/zinc/47/88/22/319478822.db2.gz HCZPGRQVXGOAOE-DLBZAZTESA-N 2 1 340.512 1.550 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416955244 319485121 /nfs/dbraw/zinc/48/51/21/319485121.db2.gz MBGJEPOJPBDIEE-IRXDYDNUSA-N 2 1 340.512 1.646 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000267062518 443329217 /nfs/dbraw/zinc/32/92/17/443329217.db2.gz ACTKYXGTRSAYNX-MAUKXSAKSA-N 2 1 333.476 1.641 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000264686796 443375348 /nfs/dbraw/zinc/37/53/48/443375348.db2.gz CLIPRBMXTWNDOB-GOSISDBHSA-N 2 1 347.507 1.054 20 0 EDADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000264686796 443375351 /nfs/dbraw/zinc/37/53/51/443375351.db2.gz CLIPRBMXTWNDOB-GOSISDBHSA-N 2 1 347.507 1.054 20 0 EDADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000264686796 443375353 /nfs/dbraw/zinc/37/53/53/443375353.db2.gz CLIPRBMXTWNDOB-GOSISDBHSA-N 2 1 347.507 1.054 20 0 EDADMP CCOC(=O)CC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000267420692 443451290 /nfs/dbraw/zinc/45/12/90/443451290.db2.gz WICDKJJLTQIFGI-UHFFFAOYSA-N 2 1 349.475 1.702 20 0 EDADMP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000279045423 443499725 /nfs/dbraw/zinc/49/97/25/443499725.db2.gz OTSMGMQQDSURTM-IBGZPJMESA-N 2 1 345.487 1.913 20 0 EDADMP C[N@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000271877100 443516655 /nfs/dbraw/zinc/51/66/55/443516655.db2.gz ZRYWVZITEMYUEN-LJQANCHMSA-N 2 1 343.471 1.563 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000271877100 443516657 /nfs/dbraw/zinc/51/66/57/443516657.db2.gz ZRYWVZITEMYUEN-LJQANCHMSA-N 2 1 343.471 1.563 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCCC[C@@H]3CC[NH3+])cc2)CC1 ZINC000286102725 443646989 /nfs/dbraw/zinc/64/69/89/443646989.db2.gz NSMJYFKNHHRMPU-LJQANCHMSA-N 2 1 344.503 1.778 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)C1 ZINC000449473895 320191854 /nfs/dbraw/zinc/19/18/54/320191854.db2.gz TWJWNPCXKKIETL-WMLDXEAASA-N 2 1 339.505 1.757 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)C1 ZINC000449473895 320191856 /nfs/dbraw/zinc/19/18/56/320191856.db2.gz TWJWNPCXKKIETL-WMLDXEAASA-N 2 1 339.505 1.757 20 0 EDADMP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000286223784 443671434 /nfs/dbraw/zinc/67/14/34/443671434.db2.gz YVXYGAPDNQFKSO-GOSISDBHSA-N 2 1 328.460 1.975 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000454096303 320284108 /nfs/dbraw/zinc/28/41/08/320284108.db2.gz NWKJEKORORQZCS-UHFFFAOYSA-N 2 1 346.475 1.677 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000458788745 320341429 /nfs/dbraw/zinc/34/14/29/320341429.db2.gz NNCFRKMWRHDTQY-CVEARBPZSA-N 2 1 328.501 1.253 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458788745 320341430 /nfs/dbraw/zinc/34/14/30/320341430.db2.gz NNCFRKMWRHDTQY-CVEARBPZSA-N 2 1 328.501 1.253 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458788745 320341431 /nfs/dbraw/zinc/34/14/31/320341431.db2.gz NNCFRKMWRHDTQY-CVEARBPZSA-N 2 1 328.501 1.253 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000458792733 320341710 /nfs/dbraw/zinc/34/17/10/320341710.db2.gz AJIQXVNFNDZRHI-INIZCTEOSA-N 2 1 341.544 1.430 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000458792733 320341711 /nfs/dbraw/zinc/34/17/11/320341711.db2.gz AJIQXVNFNDZRHI-INIZCTEOSA-N 2 1 341.544 1.430 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000458792733 320341712 /nfs/dbraw/zinc/34/17/12/320341712.db2.gz AJIQXVNFNDZRHI-INIZCTEOSA-N 2 1 341.544 1.430 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000459247392 320345005 /nfs/dbraw/zinc/34/50/05/320345005.db2.gz CRFGXJNJVOQLEZ-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000276424198 443701468 /nfs/dbraw/zinc/70/14/68/443701468.db2.gz GQERNXJQLXXFKL-OAHLLOKOSA-N 2 1 332.448 1.364 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000276424198 443701469 /nfs/dbraw/zinc/70/14/69/443701469.db2.gz GQERNXJQLXXFKL-OAHLLOKOSA-N 2 1 332.448 1.364 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000517233969 320447531 /nfs/dbraw/zinc/44/75/31/320447531.db2.gz LLMCNGLMTJGUHA-SOLBZPMBSA-N 2 1 330.476 1.311 20 0 EDADMP COc1cc2[nH+]ccc(NC[C@H]3C[N@@H+](C)CCN3C)c2cc1OC ZINC000298252975 443730803 /nfs/dbraw/zinc/73/08/03/443730803.db2.gz NGTNTCHKUJHDAC-ZDUSSCGKSA-N 2 1 330.432 1.910 20 0 EDADMP COc1cc2[nH+]ccc(NC[C@H]3CN(C)CC[N@@H+]3C)c2cc1OC ZINC000298252975 443730806 /nfs/dbraw/zinc/73/08/06/443730806.db2.gz NGTNTCHKUJHDAC-ZDUSSCGKSA-N 2 1 330.432 1.910 20 0 EDADMP COc1cc2[nH+]ccc(NC[C@H]3CN(C)CC[N@H+]3C)c2cc1OC ZINC000298252975 443730811 /nfs/dbraw/zinc/73/08/11/443730811.db2.gz NGTNTCHKUJHDAC-ZDUSSCGKSA-N 2 1 330.432 1.910 20 0 EDADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCO1 ZINC000298303701 443741655 /nfs/dbraw/zinc/74/16/55/443741655.db2.gz HPSHQTLVMGAWMI-SJLPKXTDSA-N 2 1 333.476 1.458 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000288519838 443905940 /nfs/dbraw/zinc/90/59/40/443905940.db2.gz CPMHXJGCTLFSHR-RHSMWYFYSA-N 2 1 344.459 1.401 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](O)CC1 ZINC000293245240 443961050 /nfs/dbraw/zinc/96/10/50/443961050.db2.gz SZEJQAZCINXMQY-NZSAHSFTSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](O)CC1 ZINC000293245240 443961055 /nfs/dbraw/zinc/96/10/55/443961055.db2.gz SZEJQAZCINXMQY-NZSAHSFTSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](O)CC1 ZINC000293245240 443961058 /nfs/dbraw/zinc/96/10/58/443961058.db2.gz SZEJQAZCINXMQY-NZSAHSFTSA-N 2 1 345.487 1.612 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[NH+]4CCCC[C@@H]34)cc2C1 ZINC000299101756 443955068 /nfs/dbraw/zinc/95/50/68/443955068.db2.gz SYCIJCTUFBEANB-IRXDYDNUSA-N 2 1 342.443 1.314 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[NH+]4CCCC[C@@H]34)cc2C1 ZINC000299101756 443955070 /nfs/dbraw/zinc/95/50/70/443955070.db2.gz SYCIJCTUFBEANB-IRXDYDNUSA-N 2 1 342.443 1.314 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2C1 ZINC000299101756 443955072 /nfs/dbraw/zinc/95/50/72/443955072.db2.gz SYCIJCTUFBEANB-IRXDYDNUSA-N 2 1 342.443 1.314 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)cc2C1 ZINC000299101756 443955074 /nfs/dbraw/zinc/95/50/74/443955074.db2.gz SYCIJCTUFBEANB-IRXDYDNUSA-N 2 1 342.443 1.314 20 0 EDADMP CC[NH+]1CCC(CNC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000564670706 321140946 /nfs/dbraw/zinc/14/09/46/321140946.db2.gz QXJOYVBCEVXWTN-KRWDZBQOSA-N 2 1 340.512 1.374 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000564910639 321155726 /nfs/dbraw/zinc/15/57/26/321155726.db2.gz ICXPZELYIYSVNX-ZBFHGGJFSA-N 2 1 338.496 1.001 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000565316231 321181780 /nfs/dbraw/zinc/18/17/80/321181780.db2.gz YMIKTPPHBHDDGG-SOUVJXGZSA-N 2 1 325.840 1.076 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccc(Oc4cnccn4)cc3)CCN2C1=O ZINC000565843673 321202870 /nfs/dbraw/zinc/20/28/70/321202870.db2.gz PXPAFTBQGMZKBT-GDBMZVCRSA-N 2 1 339.399 1.013 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(Oc4cnccn4)cc3)CCN2C1=O ZINC000565843673 321202872 /nfs/dbraw/zinc/20/28/72/321202872.db2.gz PXPAFTBQGMZKBT-GDBMZVCRSA-N 2 1 339.399 1.013 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)COC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000566173136 321220861 /nfs/dbraw/zinc/22/08/61/321220861.db2.gz LLHNTIRWQDPICI-PJPHBNEVSA-N 2 1 341.496 1.277 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)COC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000566173136 321220863 /nfs/dbraw/zinc/22/08/63/321220863.db2.gz LLHNTIRWQDPICI-PJPHBNEVSA-N 2 1 341.496 1.277 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000567522651 321244860 /nfs/dbraw/zinc/24/48/60/321244860.db2.gz WPCAUWRCBHEEAX-ROUUACIJSA-N 2 1 332.492 1.928 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1)C1CC1 ZINC000567587564 321247418 /nfs/dbraw/zinc/24/74/18/321247418.db2.gz SFCJSTSNTFUATA-SFHVURJKSA-N 2 1 330.476 1.304 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000567739193 321256656 /nfs/dbraw/zinc/25/66/56/321256656.db2.gz FEQBYZUGVRKQRN-HKUYNNGSSA-N 2 1 344.503 1.846 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000567895174 321266926 /nfs/dbraw/zinc/26/69/26/321266926.db2.gz VPQJBHWCOZRITJ-CYJAXWMASA-N 2 1 345.487 1.910 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)C(C)(C)O)CC2)CC1 ZINC000568230243 321283397 /nfs/dbraw/zinc/28/33/97/321283397.db2.gz UPVLMPYPVCBMHZ-HNNXBMFYSA-N 2 1 339.524 1.801 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2)n1 ZINC000568410293 321290791 /nfs/dbraw/zinc/29/07/91/321290791.db2.gz HPTLCDFKDZKWEL-UHFFFAOYSA-N 2 1 329.448 1.307 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000568607599 321298574 /nfs/dbraw/zinc/29/85/74/321298574.db2.gz XFLYTBDYUIVCQV-BZUAXINKSA-N 2 1 340.512 1.563 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000568608215 321298923 /nfs/dbraw/zinc/29/89/23/321298923.db2.gz UKCGTAFLRAVZKW-BHIYHBOVSA-N 2 1 344.503 1.848 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](COC)C3CC3)CC2)CC1 ZINC000568765201 321305291 /nfs/dbraw/zinc/30/52/91/321305291.db2.gz VNRIJJCQWMUTOU-GOSISDBHSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000289309599 444103189 /nfs/dbraw/zinc/10/31/89/444103189.db2.gz DWRJXXMBVGHGGV-WMZOPIPTSA-N 2 1 340.471 1.962 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000570817307 321360157 /nfs/dbraw/zinc/36/01/57/321360157.db2.gz RROYSKXROOFKHK-KRWDZBQOSA-N 2 1 346.475 1.665 20 0 EDADMP CC1(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000571030090 321368182 /nfs/dbraw/zinc/36/81/82/321368182.db2.gz RUZZWLBUCCMIFX-QGZVFWFLSA-N 2 1 330.476 1.950 20 0 EDADMP CC1(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000571268975 321381644 /nfs/dbraw/zinc/38/16/44/321381644.db2.gz FJXPAVDNKRYCRU-KRWDZBQOSA-N 2 1 330.476 1.950 20 0 EDADMP CCNc1nc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(NC(C)(C)C)n1 ZINC000571459366 321387653 /nfs/dbraw/zinc/38/76/53/321387653.db2.gz ZUDYPNARTKBDKS-VXGBXAGGSA-N 2 1 333.484 1.395 20 0 EDADMP CCNc1nc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(NC(C)(C)C)[nH+]1 ZINC000571459366 321387656 /nfs/dbraw/zinc/38/76/56/321387656.db2.gz ZUDYPNARTKBDKS-VXGBXAGGSA-N 2 1 333.484 1.395 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C2([NH3+])CCC2)[C@H](c2ccccc2)C1 ZINC000571557320 321392385 /nfs/dbraw/zinc/39/23/85/321392385.db2.gz ZGMVARQGBVNHQO-KRWDZBQOSA-N 2 1 330.476 1.363 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C2([NH3+])CCC2)[C@H](c2ccccc2)C1 ZINC000571557320 321392387 /nfs/dbraw/zinc/39/23/87/321392387.db2.gz ZGMVARQGBVNHQO-KRWDZBQOSA-N 2 1 330.476 1.363 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C2([NH3+])CCC2)[C@H](c2ccccc2)C1 ZINC000571557320 321392388 /nfs/dbraw/zinc/39/23/88/321392388.db2.gz ZGMVARQGBVNHQO-KRWDZBQOSA-N 2 1 330.476 1.363 20 0 EDADMP C[C@H]([NH3+])C1CC[NH+](Cc2nnc3n2c2ccccc2c(=O)n3C)CC1 ZINC000572286864 321424823 /nfs/dbraw/zinc/42/48/23/321424823.db2.gz IECJLDFRLBSSOT-LBPRGKRZSA-N 2 1 340.431 1.140 20 0 EDADMP Cc1cc(N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)nc(C)[nH+]1 ZINC000301445357 444172407 /nfs/dbraw/zinc/17/24/07/444172407.db2.gz ZFVPDCBMGPACMU-UHFFFAOYSA-N 2 1 326.448 1.877 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000576014436 321539838 /nfs/dbraw/zinc/53/98/38/321539838.db2.gz OYMSHMPHFBMREB-CRAIPNDOSA-N 2 1 346.475 1.316 20 0 EDADMP C[C@H](C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C[NH+]1CCCC1 ZINC000315561647 444305923 /nfs/dbraw/zinc/30/59/23/444305923.db2.gz MNQMRSSLKBYLDE-KGLIPLIRSA-N 2 1 325.478 1.717 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)cn2)CC1 ZINC000305745390 444277331 /nfs/dbraw/zinc/27/73/31/444277331.db2.gz OCHNWEYJXIFYRM-PKOBYXMFSA-N 2 1 345.491 1.355 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@]4(O)CCCC[C@H]4C3)cn2)CC1 ZINC000305745390 444277332 /nfs/dbraw/zinc/27/73/32/444277332.db2.gz OCHNWEYJXIFYRM-PKOBYXMFSA-N 2 1 345.491 1.355 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cn1cccn1 ZINC000310816975 444292930 /nfs/dbraw/zinc/29/29/30/444292930.db2.gz JEQNRQAXAJGVHC-ZGXWSNOMSA-N 2 1 340.471 1.744 20 0 EDADMP CN(C/C=C\CN(C)[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000340196919 444368944 /nfs/dbraw/zinc/36/89/44/444368944.db2.gz GEOKNBJQIXNKQA-JGAFRWBPSA-N 2 1 332.536 1.880 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000579491241 321942311 /nfs/dbraw/zinc/94/23/11/321942311.db2.gz VFULYBRIUXKAEO-MRXNPFEDSA-N 2 1 341.883 1.979 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000580881053 322107221 /nfs/dbraw/zinc/10/72/21/322107221.db2.gz DGMBXRDPGXGVHF-INIZCTEOSA-N 2 1 348.447 1.401 20 0 EDADMP COc1ccccc1N1CC[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000580947536 322115653 /nfs/dbraw/zinc/11/56/53/322115653.db2.gz VXTCPCNINCLTPO-RDJZCZTQSA-N 2 1 333.476 1.566 20 0 EDADMP COc1ccccc1N1CC[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000580947536 322115656 /nfs/dbraw/zinc/11/56/56/322115656.db2.gz VXTCPCNINCLTPO-RDJZCZTQSA-N 2 1 333.476 1.566 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581074486 322132912 /nfs/dbraw/zinc/13/29/12/322132912.db2.gz NDRROOPCKUYWFR-RYQLBKOJSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581074486 322132915 /nfs/dbraw/zinc/13/29/15/322132915.db2.gz NDRROOPCKUYWFR-RYQLBKOJSA-N 2 1 331.460 1.534 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000581245614 322153400 /nfs/dbraw/zinc/15/34/00/322153400.db2.gz CYLFMWKRXOSROF-NVXWUHKLSA-N 2 1 347.459 1.562 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000581245614 322153402 /nfs/dbraw/zinc/15/34/02/322153402.db2.gz CYLFMWKRXOSROF-NVXWUHKLSA-N 2 1 347.459 1.562 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342131466 444525098 /nfs/dbraw/zinc/52/50/98/444525098.db2.gz HXNVGYTZCDGGEG-CAMMJAKZSA-N 2 1 345.487 1.938 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)C1 ZINC000342216782 444570103 /nfs/dbraw/zinc/57/01/03/444570103.db2.gz LUWSAXWYVQJVKL-GOSISDBHSA-N 2 1 331.460 1.983 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)C1 ZINC000342216782 444570104 /nfs/dbraw/zinc/57/01/04/444570104.db2.gz LUWSAXWYVQJVKL-GOSISDBHSA-N 2 1 331.460 1.983 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)C1 ZINC000342216782 444570106 /nfs/dbraw/zinc/57/01/06/444570106.db2.gz LUWSAXWYVQJVKL-GOSISDBHSA-N 2 1 331.460 1.983 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)C1 ZINC000342216782 444570109 /nfs/dbraw/zinc/57/01/09/444570109.db2.gz LUWSAXWYVQJVKL-GOSISDBHSA-N 2 1 331.460 1.983 20 0 EDADMP C[C@H]1C[C@H](O)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000340912243 444572576 /nfs/dbraw/zinc/57/25/76/444572576.db2.gz FRLQZGOFTHJOFW-YJBOKZPZSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1cccs1 ZINC000343779246 444585585 /nfs/dbraw/zinc/58/55/85/444585585.db2.gz ZKHTZLSHVSYDAI-WTUNAVPPSA-N 2 1 335.473 1.282 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)CCCC[NH+]1CCOCC1)C(C)(C)C ZINC000340939941 444586286 /nfs/dbraw/zinc/58/62/86/444586286.db2.gz AQQXLGYJDVSBJM-INIZCTEOSA-N 2 1 327.513 1.972 20 0 EDADMP CC[NH+](CC)CCC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1cnn(C)c1 ZINC000338300588 444619172 /nfs/dbraw/zinc/61/91/72/444619172.db2.gz FLHIPDCQORDOFO-QZTJIDSGSA-N 2 1 339.503 1.996 20 0 EDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1cnn(C)c1 ZINC000338300588 444619177 /nfs/dbraw/zinc/61/91/77/444619177.db2.gz FLHIPDCQORDOFO-QZTJIDSGSA-N 2 1 339.503 1.996 20 0 EDADMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000343842006 444621789 /nfs/dbraw/zinc/62/17/89/444621789.db2.gz AERUTYQUEJZPPL-SNPRPXQTSA-N 2 1 327.419 1.707 20 0 EDADMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000343842006 444621791 /nfs/dbraw/zinc/62/17/91/444621791.db2.gz AERUTYQUEJZPPL-SNPRPXQTSA-N 2 1 327.419 1.707 20 0 EDADMP CC[N@@H+](CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1CC1 ZINC000341080949 444663437 /nfs/dbraw/zinc/66/34/37/444663437.db2.gz IBNYNYUPVSRPBL-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000342470256 444704495 /nfs/dbraw/zinc/70/44/95/444704495.db2.gz VSFHLYULAMMYSA-WMLDXEAASA-N 2 1 343.475 1.046 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)CC2)cn1 ZINC000333895335 444710938 /nfs/dbraw/zinc/71/09/38/444710938.db2.gz YZBVREDKHRQVEC-RDJZCZTQSA-N 2 1 348.495 1.118 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)CC2)cn1 ZINC000333895335 444710942 /nfs/dbraw/zinc/71/09/42/444710942.db2.gz YZBVREDKHRQVEC-RDJZCZTQSA-N 2 1 348.495 1.118 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000333902533 444714013 /nfs/dbraw/zinc/71/40/13/444714013.db2.gz BWJWKOVXWXDEPU-CABCVRRESA-N 2 1 326.485 1.175 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)C[C@@H]1C ZINC000344020621 444731956 /nfs/dbraw/zinc/73/19/56/444731956.db2.gz XKRKXWOPADPTGP-ULQDDVLXSA-N 2 1 340.512 1.611 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)C[C@@H]1C ZINC000344020621 444731960 /nfs/dbraw/zinc/73/19/60/444731960.db2.gz XKRKXWOPADPTGP-ULQDDVLXSA-N 2 1 340.512 1.611 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC000344020621 444731965 /nfs/dbraw/zinc/73/19/65/444731965.db2.gz XKRKXWOPADPTGP-ULQDDVLXSA-N 2 1 340.512 1.611 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC000344020621 444731969 /nfs/dbraw/zinc/73/19/69/444731969.db2.gz XKRKXWOPADPTGP-ULQDDVLXSA-N 2 1 340.512 1.611 20 0 EDADMP O=C(NCCNc1cc[nH+]cc1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000341274040 444757822 /nfs/dbraw/zinc/75/78/22/444757822.db2.gz LFCNAYXXPPXCLJ-KRWDZBQOSA-N 2 1 331.464 1.479 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@H](C)C1 ZINC000342698372 444821470 /nfs/dbraw/zinc/82/14/70/444821470.db2.gz SXKGCMVBCNKTMU-VQHPVUNQSA-N 2 1 325.497 1.628 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+]CC2(F)F)[C@@H](C)C1 ZINC000342689327 444814457 /nfs/dbraw/zinc/81/44/57/444814457.db2.gz DXIPHZZFBSHJHF-KKUMJFAQSA-N 2 1 347.450 1.484 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+]CC2(F)F)[C@@H](C)C1 ZINC000342689327 444814461 /nfs/dbraw/zinc/81/44/61/444814461.db2.gz DXIPHZZFBSHJHF-KKUMJFAQSA-N 2 1 347.450 1.484 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342732539 444839504 /nfs/dbraw/zinc/83/95/04/444839504.db2.gz ZTXJLGUYXTZSBG-DFGXFYAUSA-N 2 1 325.497 1.626 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342732539 444839506 /nfs/dbraw/zinc/83/95/06/444839506.db2.gz ZTXJLGUYXTZSBG-DFGXFYAUSA-N 2 1 325.497 1.626 20 0 EDADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000344212696 444842807 /nfs/dbraw/zinc/84/28/07/444842807.db2.gz LXAYPMBWATUHHJ-QAPCUYQASA-N 2 1 332.492 1.408 20 0 EDADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000344212696 444842809 /nfs/dbraw/zinc/84/28/09/444842809.db2.gz LXAYPMBWATUHHJ-QAPCUYQASA-N 2 1 332.492 1.408 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000341503464 444865321 /nfs/dbraw/zinc/86/53/21/444865321.db2.gz COYZITWDYRDBLJ-OIISXLGYSA-N 2 1 325.497 1.437 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000341503464 444865325 /nfs/dbraw/zinc/86/53/25/444865325.db2.gz COYZITWDYRDBLJ-OIISXLGYSA-N 2 1 325.497 1.437 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(c3cc(N4CCCC[C@H]4CO)ncn3)C2)C1 ZINC000330181140 444876020 /nfs/dbraw/zinc/87/60/20/444876020.db2.gz GKVOGQXVCKIJKH-MAUKXSAKSA-N 2 1 331.464 1.360 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000342889264 444921150 /nfs/dbraw/zinc/92/11/50/444921150.db2.gz FJPFBENGLDQKCX-HNNXBMFYSA-N 2 1 331.460 1.841 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000344421084 444957534 /nfs/dbraw/zinc/95/75/34/444957534.db2.gz OZSMVTNUYGEYGK-AYOQOUSVSA-N 2 1 345.487 1.562 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000344421084 444957538 /nfs/dbraw/zinc/95/75/38/444957538.db2.gz OZSMVTNUYGEYGK-AYOQOUSVSA-N 2 1 345.487 1.562 20 0 EDADMP C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000342905875 444933847 /nfs/dbraw/zinc/93/38/47/444933847.db2.gz TVHPZTOHHCETEK-GOSISDBHSA-N 2 1 346.475 1.364 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000341772555 444993877 /nfs/dbraw/zinc/99/38/77/444993877.db2.gz XEOTUCDTTFXFND-MJGOQNOKSA-N 2 1 344.503 1.118 20 0 EDADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000337279419 445013651 /nfs/dbraw/zinc/01/36/51/445013651.db2.gz UEXIDOQLTTZHMH-HNNXBMFYSA-N 2 1 336.432 1.573 20 0 EDADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000337279419 445013653 /nfs/dbraw/zinc/01/36/53/445013653.db2.gz UEXIDOQLTTZHMH-HNNXBMFYSA-N 2 1 336.432 1.573 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339067507 445017500 /nfs/dbraw/zinc/01/75/00/445017500.db2.gz LBNLHMWBQCTWLM-HUUCEWRRSA-N 2 1 334.464 1.458 20 0 EDADMP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000337289172 445018429 /nfs/dbraw/zinc/01/84/29/445018429.db2.gz LTDZTCVIRYUFEJ-ILXRZTDVSA-N 2 1 339.459 1.863 20 0 EDADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342098577 445171455 /nfs/dbraw/zinc/17/14/55/445171455.db2.gz ILAOJTFGJLLREP-OSFYFWSMSA-N 2 1 348.422 1.922 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342100344 445172130 /nfs/dbraw/zinc/17/21/30/445172130.db2.gz JWLZNKSYHIWPKS-SHPPOPEUSA-N 2 1 330.432 1.172 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342100344 445172135 /nfs/dbraw/zinc/17/21/35/445172135.db2.gz JWLZNKSYHIWPKS-SHPPOPEUSA-N 2 1 330.432 1.172 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342122303 445183906 /nfs/dbraw/zinc/18/39/06/445183906.db2.gz BIXRWNIDGMISHD-JQHSSLGASA-N 2 1 331.460 1.713 20 0 EDADMP CNC(=O)c1ccn([C@H]2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000343354393 445207957 /nfs/dbraw/zinc/20/79/57/445207957.db2.gz IWSUUXWAAURXTL-HOTGVXAUSA-N 2 1 333.480 1.754 20 0 EDADMP CNC(=O)c1ccn([C@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000343354393 445207959 /nfs/dbraw/zinc/20/79/59/445207959.db2.gz IWSUUXWAAURXTL-HOTGVXAUSA-N 2 1 333.480 1.754 20 0 EDADMP CNC(=O)c1ccn([C@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000343354393 445207960 /nfs/dbraw/zinc/20/79/60/445207960.db2.gz IWSUUXWAAURXTL-HOTGVXAUSA-N 2 1 333.480 1.754 20 0 EDADMP CNC(=O)c1ccn([C@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000343354393 445207961 /nfs/dbraw/zinc/20/79/61/445207961.db2.gz IWSUUXWAAURXTL-HOTGVXAUSA-N 2 1 333.480 1.754 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)N(C)C[C@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000347529616 445241897 /nfs/dbraw/zinc/24/18/97/445241897.db2.gz ZQMMRLQRNBACJG-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CCC[N@H+]2CC(C)C)[NH+](C)C1 ZINC000347676087 445244622 /nfs/dbraw/zinc/24/46/22/445244622.db2.gz XLCMJOKCXPDRIO-GVDBMIGSSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CCC[NH+]2CC(C)C)[N@H+](C)C1 ZINC000347676087 445244623 /nfs/dbraw/zinc/24/46/23/445244623.db2.gz XLCMJOKCXPDRIO-GVDBMIGSSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CCC[NH+]2CC(C)C)[N@@H+](C)C1 ZINC000347676087 445244624 /nfs/dbraw/zinc/24/46/24/445244624.db2.gz XLCMJOKCXPDRIO-GVDBMIGSSA-N 2 1 340.512 1.467 20 0 EDADMP O=C1CCCN1C[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348304596 445250027 /nfs/dbraw/zinc/25/00/27/445250027.db2.gz HQWWKUQQWKAMSX-OTWHNJEPSA-N 2 1 343.471 1.034 20 0 EDADMP O=C1CCCN1C[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348304596 445250029 /nfs/dbraw/zinc/25/00/29/445250029.db2.gz HQWWKUQQWKAMSX-OTWHNJEPSA-N 2 1 343.471 1.034 20 0 EDADMP O=C1CCCN1C[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348304596 445250032 /nfs/dbraw/zinc/25/00/32/445250032.db2.gz HQWWKUQQWKAMSX-OTWHNJEPSA-N 2 1 343.471 1.034 20 0 EDADMP O=C1CCCN1C[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348304596 445250034 /nfs/dbraw/zinc/25/00/34/445250034.db2.gz HQWWKUQQWKAMSX-OTWHNJEPSA-N 2 1 343.471 1.034 20 0 EDADMP C[C@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCC[N@H+]1C ZINC000343625852 445269245 /nfs/dbraw/zinc/26/92/45/445269245.db2.gz NPCJHCLHTBFJRB-MAUKXSAKSA-N 2 1 345.491 1.828 20 0 EDADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)s1 ZINC000354492151 445261184 /nfs/dbraw/zinc/26/11/84/445261184.db2.gz JDNUMAHXRNGSRO-INIZCTEOSA-N 2 1 339.505 1.862 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N2CC([NH+](C)Cc3ccccc3)C2)C1 ZINC000351770947 445315130 /nfs/dbraw/zinc/31/51/30/445315130.db2.gz RHQPQLKQSHLWDF-KRWDZBQOSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)C1 ZINC000351770947 445315132 /nfs/dbraw/zinc/31/51/32/445315132.db2.gz RHQPQLKQSHLWDF-KRWDZBQOSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000351770947 445315134 /nfs/dbraw/zinc/31/51/34/445315134.db2.gz RHQPQLKQSHLWDF-KRWDZBQOSA-N 2 1 330.476 1.997 20 0 EDADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000354518652 445275079 /nfs/dbraw/zinc/27/50/79/445275079.db2.gz WHJUVSPJPSAGDE-SJORKVTESA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000354518652 445275082 /nfs/dbraw/zinc/27/50/82/445275082.db2.gz WHJUVSPJPSAGDE-SJORKVTESA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351857430 445344976 /nfs/dbraw/zinc/34/49/76/445344976.db2.gz BFUBOQNQZLMMJW-LSDHHAIUSA-N 2 1 334.439 1.143 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351857430 445344977 /nfs/dbraw/zinc/34/49/77/445344977.db2.gz BFUBOQNQZLMMJW-LSDHHAIUSA-N 2 1 334.439 1.143 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000351861931 445346214 /nfs/dbraw/zinc/34/62/14/445346214.db2.gz MMRKIQHLZAMXPM-MAUKXSAKSA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000351861931 445346217 /nfs/dbraw/zinc/34/62/17/445346217.db2.gz MMRKIQHLZAMXPM-MAUKXSAKSA-N 2 1 333.476 1.897 20 0 EDADMP Cc1ccc([C@@H](CN2CCOCC2)NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000356982679 445359188 /nfs/dbraw/zinc/35/91/88/445359188.db2.gz VJPSXNSJWUZPPN-QZTJIDSGSA-N 2 1 331.460 1.579 20 0 EDADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000351923736 445377980 /nfs/dbraw/zinc/37/79/80/445377980.db2.gz ADGWOPVSNAHWJO-JKSUJKDBSA-N 2 1 340.512 1.326 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]2COCC[C@H]21)c1ccccc1 ZINC000354789815 445390282 /nfs/dbraw/zinc/39/02/82/445390282.db2.gz MABFFPFBIMAYNN-IPMKNSEASA-N 2 1 345.487 1.906 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000359906723 445482323 /nfs/dbraw/zinc/48/23/23/445482323.db2.gz FQGWMXAZAJXXNU-INIZCTEOSA-N 2 1 342.528 1.859 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000359906723 445482327 /nfs/dbraw/zinc/48/23/27/445482327.db2.gz FQGWMXAZAJXXNU-INIZCTEOSA-N 2 1 342.528 1.859 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000359906723 445482329 /nfs/dbraw/zinc/48/23/29/445482329.db2.gz FQGWMXAZAJXXNU-INIZCTEOSA-N 2 1 342.528 1.859 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000359906723 445482334 /nfs/dbraw/zinc/48/23/34/445482334.db2.gz FQGWMXAZAJXXNU-INIZCTEOSA-N 2 1 342.528 1.859 20 0 EDADMP CC[C@H](COC)[NH2+]C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354916294 445433812 /nfs/dbraw/zinc/43/38/12/445433812.db2.gz GJLSYZOCDSZQOE-BFHYXJOUSA-N 2 1 325.432 1.474 20 0 EDADMP Cc1ccncc1C[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354935191 445435297 /nfs/dbraw/zinc/43/52/97/445435297.db2.gz OYAAILDOJCUSHW-HOTGVXAUSA-N 2 1 344.438 1.953 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000352041332 445455812 /nfs/dbraw/zinc/45/58/12/445455812.db2.gz WXEQDRBJDJXNBU-UHFFFAOYSA-N 2 1 331.464 1.001 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000352041555 445455922 /nfs/dbraw/zinc/45/59/22/445455922.db2.gz ZBAOBGRPBPSVAW-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000352052211 445460206 /nfs/dbraw/zinc/46/02/06/445460206.db2.gz IZCZMSFGLCWIAI-DLBZAZTESA-N 2 1 326.529 1.543 20 0 EDADMP CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000362704502 445509595 /nfs/dbraw/zinc/50/95/95/445509595.db2.gz JPPIPASNCIDROF-USXIJHARSA-N 2 1 335.496 1.650 20 0 EDADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000357304341 445537100 /nfs/dbraw/zinc/53/71/00/445537100.db2.gz HYEYLZXOAILZSD-QZTJIDSGSA-N 2 1 349.475 1.523 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000359919611 445489316 /nfs/dbraw/zinc/48/93/16/445489316.db2.gz VPWPGDUTSBQKFM-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CCOC)[C@@H](C)C1 ZINC000359919611 445489322 /nfs/dbraw/zinc/48/93/22/445489322.db2.gz VPWPGDUTSBQKFM-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CCOC)[C@@H](C)C1 ZINC000359919611 445489324 /nfs/dbraw/zinc/48/93/24/445489324.db2.gz VPWPGDUTSBQKFM-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000359919611 445489329 /nfs/dbraw/zinc/48/93/29/445489329.db2.gz VPWPGDUTSBQKFM-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000359919611 445489333 /nfs/dbraw/zinc/48/93/33/445489333.db2.gz VPWPGDUTSBQKFM-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)[C@@H]2C)C1 ZINC000357889789 445589839 /nfs/dbraw/zinc/58/98/39/445589839.db2.gz FKZLUAHLIAIJLO-QZWWFDLISA-N 2 1 338.496 1.220 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)[C@@H]2C)C1 ZINC000357889789 445589842 /nfs/dbraw/zinc/58/98/42/445589842.db2.gz FKZLUAHLIAIJLO-QZWWFDLISA-N 2 1 338.496 1.220 20 0 EDADMP CC(C)CC[NH+]1CCC(CNc2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000353274972 445584480 /nfs/dbraw/zinc/58/44/80/445584480.db2.gz IUBGIFGKGSOVER-UHFFFAOYSA-N 2 1 347.507 2.483 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000353455501 445610162 /nfs/dbraw/zinc/61/01/62/445610162.db2.gz XSOAUHUAAZLHIH-MHORFTMASA-N 2 1 336.524 1.392 20 0 EDADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000353530165 445644668 /nfs/dbraw/zinc/64/46/68/445644668.db2.gz UGMRASAGVWLZAS-QZTJIDSGSA-N 2 1 331.460 1.523 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000353800095 445762143 /nfs/dbraw/zinc/76/21/43/445762143.db2.gz FKCOJDJWIBSJOF-UHFFFAOYSA-N 2 1 341.496 1.058 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000363312412 445762279 /nfs/dbraw/zinc/76/22/79/445762279.db2.gz KVJBYPVVLIXZCC-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000350087549 445764772 /nfs/dbraw/zinc/76/47/72/445764772.db2.gz JHJGEBCOYFCIGS-KRWDZBQOSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[C@@H]1C ZINC000358832333 445799534 /nfs/dbraw/zinc/79/95/34/445799534.db2.gz SIDQGHGFVKWVQW-KKUMJFAQSA-N 2 1 340.512 1.020 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[C@@H]1C ZINC000358832333 445799535 /nfs/dbraw/zinc/79/95/35/445799535.db2.gz SIDQGHGFVKWVQW-KKUMJFAQSA-N 2 1 340.512 1.020 20 0 EDADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000356610631 445884384 /nfs/dbraw/zinc/88/43/84/445884384.db2.gz UNUQLGKZWPILJN-ZWKOTPCHSA-N 2 1 338.540 1.593 20 0 EDADMP COc1cc2[nH+]c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)nc(N)c2cc1OC ZINC000363514983 445839734 /nfs/dbraw/zinc/83/97/34/445839734.db2.gz AMMHWCFYOXVGQK-RYUDHWBXSA-N 2 1 343.431 1.690 20 0 EDADMP COc1cc2[nH+]c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)nc(N)c2cc1OC ZINC000363514983 445839742 /nfs/dbraw/zinc/83/97/42/445839742.db2.gz AMMHWCFYOXVGQK-RYUDHWBXSA-N 2 1 343.431 1.690 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000361764699 445925640 /nfs/dbraw/zinc/92/56/40/445925640.db2.gz MVTSMQFJECWNHV-UHFFFAOYSA-N 2 1 337.468 1.334 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)c2ccccc2)CC1 ZINC000364565461 445932568 /nfs/dbraw/zinc/93/25/68/445932568.db2.gz VTMUNOOHMVNBPJ-AKHDSKFASA-N 2 1 342.487 1.456 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCSCC2)C[C@H]1C ZINC000361782555 445940103 /nfs/dbraw/zinc/94/01/03/445940103.db2.gz AEVYSWRGEYXMCS-HUUCEWRRSA-N 2 1 328.526 1.549 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCSCC2)C[C@H]1C ZINC000361782555 445940109 /nfs/dbraw/zinc/94/01/09/445940109.db2.gz AEVYSWRGEYXMCS-HUUCEWRRSA-N 2 1 328.526 1.549 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[NH+]1CCCCC1 ZINC000364008441 445889903 /nfs/dbraw/zinc/88/99/03/445889903.db2.gz ISIHYTCLQRIENB-FGTMMUONSA-N 2 1 337.508 1.555 20 0 EDADMP CC[NH+](CC)[C@@H](CN1C(=O)N[C@H](Cc2cnc[nH]2)C1=O)c1ccco1 ZINC000359022233 445893420 /nfs/dbraw/zinc/89/34/20/445893420.db2.gz WRISMYGOXDDCAG-KGLIPLIRSA-N 2 1 345.403 1.549 20 0 EDADMP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCCCCn1cccn1 ZINC000361755897 445917600 /nfs/dbraw/zinc/91/76/00/445917600.db2.gz NRQRMRVSOCTVIU-OALUTQOASA-N 2 1 349.523 1.390 20 0 EDADMP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCCCn1cccn1 ZINC000361755897 445917605 /nfs/dbraw/zinc/91/76/05/445917605.db2.gz NRQRMRVSOCTVIU-OALUTQOASA-N 2 1 349.523 1.390 20 0 EDADMP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCCCn1cccn1 ZINC000361755897 445917609 /nfs/dbraw/zinc/91/76/09/445917609.db2.gz NRQRMRVSOCTVIU-OALUTQOASA-N 2 1 349.523 1.390 20 0 EDADMP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCCCCn1cccn1 ZINC000361755897 445917614 /nfs/dbraw/zinc/91/76/14/445917614.db2.gz NRQRMRVSOCTVIU-OALUTQOASA-N 2 1 349.523 1.390 20 0 EDADMP Cc1[nH+]ccn1-c1cncc(NCCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000372985463 445960327 /nfs/dbraw/zinc/96/03/27/445960327.db2.gz UCAZSGDLKXWFPJ-CQSZACIVSA-N 2 1 330.436 1.884 20 0 EDADMP Cc1[nH+]ccn1-c1cncc(NCCC[N@H+]2CCCO[C@H](C)C2)n1 ZINC000372985463 445960332 /nfs/dbraw/zinc/96/03/32/445960332.db2.gz UCAZSGDLKXWFPJ-CQSZACIVSA-N 2 1 330.436 1.884 20 0 EDADMP O=C(CCn1ccnc1)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000369160276 445961923 /nfs/dbraw/zinc/96/19/23/445961923.db2.gz AJZSPCFNLHLXIT-KRWDZBQOSA-N 2 1 327.432 1.697 20 0 EDADMP O=S(=O)(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000582540495 325868099 /nfs/dbraw/zinc/86/80/99/325868099.db2.gz ONDHHCJLHZWGIB-PBWFPOADSA-N 2 1 343.880 1.491 20 0 EDADMP O=C(NCC1CC[NH+](C2CC2)CC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000373102504 446028750 /nfs/dbraw/zinc/02/87/50/446028750.db2.gz AHYRENMZJIQGOX-IAGOWNOFSA-N 2 1 336.480 1.023 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000356815874 446046085 /nfs/dbraw/zinc/04/60/85/446046085.db2.gz CWMOQPKABHETFT-CQSZACIVSA-N 2 1 348.495 1.358 20 0 EDADMP Cn1cncc1CNC(=O)N1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC000366090772 446005195 /nfs/dbraw/zinc/00/51/95/446005195.db2.gz OVCJMUZEAPHQII-WMZOPIPTSA-N 2 1 339.443 1.836 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000583133873 326008860 /nfs/dbraw/zinc/00/88/60/326008860.db2.gz VLZPXHJKGOITBG-GUYCJALGSA-N 2 1 343.431 1.529 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+]Cc2cnccn2)[C@@H](c2ccccc2)C1 ZINC000583249016 326033003 /nfs/dbraw/zinc/03/30/03/326033003.db2.gz ZNLCVCFAADTONT-LJQANCHMSA-N 2 1 325.460 1.945 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000583386370 326063378 /nfs/dbraw/zinc/06/33/78/326063378.db2.gz UDPYTIFCOZLIPD-HOTGVXAUSA-N 2 1 340.512 1.517 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000583628758 326107695 /nfs/dbraw/zinc/10/76/95/326107695.db2.gz UYZQQYXAUPBWEB-GOSISDBHSA-N 2 1 346.519 1.856 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373148743 446058602 /nfs/dbraw/zinc/05/86/02/446058602.db2.gz YXUJZZHGBMHUMA-GBESFXJTSA-N 2 1 342.524 1.987 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373148743 446058607 /nfs/dbraw/zinc/05/86/07/446058607.db2.gz YXUJZZHGBMHUMA-GBESFXJTSA-N 2 1 342.524 1.987 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000584221559 326222047 /nfs/dbraw/zinc/22/20/47/326222047.db2.gz TUNYLIYNHOZQSY-SFHVURJKSA-N 2 1 345.491 1.860 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351476546 446076985 /nfs/dbraw/zinc/07/69/85/446076985.db2.gz LBRJLNHFQVXJOE-IPMKNSEASA-N 2 1 345.487 1.897 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351476546 446076992 /nfs/dbraw/zinc/07/69/92/446076992.db2.gz LBRJLNHFQVXJOE-IPMKNSEASA-N 2 1 345.487 1.897 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000359254914 446090298 /nfs/dbraw/zinc/09/02/98/446090298.db2.gz VFHMOMKOJZLEST-OWCLPIDISA-N 2 1 340.512 1.022 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000359254914 446090303 /nfs/dbraw/zinc/09/03/03/446090303.db2.gz VFHMOMKOJZLEST-OWCLPIDISA-N 2 1 340.512 1.022 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000359254914 446090310 /nfs/dbraw/zinc/09/03/10/446090310.db2.gz VFHMOMKOJZLEST-OWCLPIDISA-N 2 1 340.512 1.022 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC000366387856 446185794 /nfs/dbraw/zinc/18/57/94/446185794.db2.gz CPOGUXLUNNPKGX-GVDBMIGSSA-N 2 1 340.512 1.469 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC000366387856 446185800 /nfs/dbraw/zinc/18/58/00/446185800.db2.gz CPOGUXLUNNPKGX-GVDBMIGSSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369662658 446143408 /nfs/dbraw/zinc/14/34/08/446143408.db2.gz HUQSCVIWMSZYPM-HNNXBMFYSA-N 2 1 348.495 2.146 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CSC[NH2+]3)[C@H](C)C2)s1 ZINC000366326015 446152888 /nfs/dbraw/zinc/15/28/88/446152888.db2.gz QIJJZTAGLYWVTF-DDTOSNHZSA-N 2 1 340.518 1.441 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CSC[NH2+]3)[C@H](C)C2)s1 ZINC000366326015 446152890 /nfs/dbraw/zinc/15/28/90/446152890.db2.gz QIJJZTAGLYWVTF-DDTOSNHZSA-N 2 1 340.518 1.441 20 0 EDADMP [NH3+]Cc1nc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)cs1 ZINC000366327759 446154319 /nfs/dbraw/zinc/15/43/19/446154319.db2.gz SZNDMOOWMPYILB-CQSZACIVSA-N 2 1 345.472 1.639 20 0 EDADMP [NH3+]Cc1nc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cs1 ZINC000366327759 446154326 /nfs/dbraw/zinc/15/43/26/446154326.db2.gz SZNDMOOWMPYILB-CQSZACIVSA-N 2 1 345.472 1.639 20 0 EDADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366329872 446156182 /nfs/dbraw/zinc/15/61/82/446156182.db2.gz ZKAPHPSQSIVJMN-CRAIPNDOSA-N 3 1 338.540 1.672 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000359394478 446196798 /nfs/dbraw/zinc/19/67/98/446196798.db2.gz ULHHTRAZRKNZGX-AWEZNQCLSA-N 2 1 345.447 1.159 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)C(=O)OC ZINC000354453621 446215898 /nfs/dbraw/zinc/21/58/98/446215898.db2.gz XVMDOGJHDRSECT-CABCVRRESA-N 2 1 327.469 1.060 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCC[C@H]1CO ZINC000370300122 446221177 /nfs/dbraw/zinc/22/11/77/446221177.db2.gz NJEGWTSKKPQAFO-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO ZINC000370300122 446221181 /nfs/dbraw/zinc/22/11/81/446221181.db2.gz NJEGWTSKKPQAFO-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000370300122 446221184 /nfs/dbraw/zinc/22/11/84/446221184.db2.gz NJEGWTSKKPQAFO-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H](CNC(=O)C1CC[NH+](Cc2cccnc2)CC1)[N@@H+](C)C1CC1 ZINC000365550823 446250887 /nfs/dbraw/zinc/25/08/87/446250887.db2.gz UWVURAFCBUUQDX-OAHLLOKOSA-N 2 1 330.476 1.893 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000359526527 446276698 /nfs/dbraw/zinc/27/66/98/446276698.db2.gz VHOYMHCZVQARGA-GVDBMIGSSA-N 2 1 325.497 1.676 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1F ZINC000417273902 446337112 /nfs/dbraw/zinc/33/71/12/446337112.db2.gz YKHATTXASVWAJX-NHYWBVRUSA-N 2 1 331.395 1.951 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417274134 446337458 /nfs/dbraw/zinc/33/74/58/446337458.db2.gz ZHMXNBQJVIQHMB-HZPDHXFCSA-N 2 1 348.491 1.705 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417274134 446337464 /nfs/dbraw/zinc/33/74/64/446337464.db2.gz ZHMXNBQJVIQHMB-HZPDHXFCSA-N 2 1 348.491 1.705 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CC[C@@H]([NH3+])C3)c2)CCO1 ZINC000417273505 446337791 /nfs/dbraw/zinc/33/77/91/446337791.db2.gz XDGXSLFIPGVJBG-WMLDXEAASA-N 2 1 332.448 1.150 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CC[C@@H]([NH3+])C3)c2)CCO1 ZINC000417273505 446337796 /nfs/dbraw/zinc/33/77/96/446337796.db2.gz XDGXSLFIPGVJBG-WMLDXEAASA-N 2 1 332.448 1.150 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000370595369 446348655 /nfs/dbraw/zinc/34/86/55/446348655.db2.gz ZXOBQJNCGNDKGA-IEBWSBKVSA-N 2 1 331.460 1.518 20 0 EDADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417505608 446356966 /nfs/dbraw/zinc/35/69/66/446356966.db2.gz OOPMGWLEJBKGEF-YQVWRLOYSA-N 2 1 344.503 1.943 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000417667719 446369409 /nfs/dbraw/zinc/36/94/09/446369409.db2.gz HJYNZUADLFSDCR-NXOAAHMSSA-N 2 1 340.512 1.515 20 0 EDADMP [NH3+]C1CC[NH+](CCCC(=O)N2CCNC[C@H]2c2ccccc2)CC1 ZINC000417824986 446373866 /nfs/dbraw/zinc/37/38/66/446373866.db2.gz ATSJCAUPPOUTLE-SFHVURJKSA-N 2 1 330.476 1.363 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417897795 446379929 /nfs/dbraw/zinc/37/99/29/446379929.db2.gz XAHTXWBGTMPEKV-GOSISDBHSA-N 2 1 347.507 1.838 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@@H]1c1ccccc1 ZINC000417933929 446390280 /nfs/dbraw/zinc/39/02/80/446390280.db2.gz FBOCBPCRESZKRS-XDNAFOTISA-N 2 1 328.460 1.968 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@H]1c1ccccc1 ZINC000417953195 446398092 /nfs/dbraw/zinc/39/80/92/446398092.db2.gz ZBPFBIMTURDKFB-MELADBBJSA-N 2 1 326.391 1.714 20 0 EDADMP COC1(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@H]3C2)CC[NH2+]CC1 ZINC000370773882 446431637 /nfs/dbraw/zinc/43/16/37/446431637.db2.gz PQEZPPKNUZFTRW-OKZBNKHCSA-N 2 1 343.471 1.516 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H](C[NH2+]C)C1)CCC(F)(F)F ZINC000418073868 446433385 /nfs/dbraw/zinc/43/33/85/446433385.db2.gz DVHZNMGCGFKWLB-ZDUSSCGKSA-N 2 1 338.418 1.902 20 0 EDADMP CCNc1nc(N2CC[NH2+]C[C@@](C)(F)C2)nc(NC(C)(C)C)[nH+]1 ZINC000420261372 446437054 /nfs/dbraw/zinc/43/70/54/446437054.db2.gz KRFWXCJREOOLDY-OAHLLOKOSA-N 2 1 325.436 1.074 20 0 EDADMP CC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000423168659 446446522 /nfs/dbraw/zinc/44/65/22/446446522.db2.gz HOPSCDUWAOLRBV-QZTJIDSGSA-N 3 1 338.540 1.293 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)NCCC[NH3+])CC[N@H+]2C2CC2)c1 ZINC000417983949 446406651 /nfs/dbraw/zinc/40/66/51/446406651.db2.gz FXSONOGDLSDQPG-IRXDYDNUSA-N 2 1 332.448 1.621 20 0 EDADMP CC[C@@H]([NH2+]CCC[NH2+]C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423202257 446451424 /nfs/dbraw/zinc/45/14/24/446451424.db2.gz QLWBZQJXWBGXRG-CYBMUJFWSA-N 2 1 333.885 1.898 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374829820 446409740 /nfs/dbraw/zinc/40/97/40/446409740.db2.gz VNTDUXHEFPBWKH-WMZOPIPTSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374829820 446409744 /nfs/dbraw/zinc/40/97/44/446409744.db2.gz VNTDUXHEFPBWKH-WMZOPIPTSA-N 2 1 330.476 1.854 20 0 EDADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)N[C@H]1CCCC[NH2+]C1 ZINC000418003974 446412876 /nfs/dbraw/zinc/41/28/76/446412876.db2.gz ZEPNNJIYNSJILE-ZWKOTPCHSA-N 2 1 346.475 1.195 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418007764 446413421 /nfs/dbraw/zinc/41/34/21/446413421.db2.gz GOKUKAWGRNZHFH-CBZIJGRNSA-N 2 1 330.476 1.899 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000418192231 446456050 /nfs/dbraw/zinc/45/60/50/446456050.db2.gz MDJKYQSSUJZHTJ-QXCFHYIPSA-N 2 1 342.487 1.900 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420296071 446459616 /nfs/dbraw/zinc/45/96/16/446459616.db2.gz CZINSCMQMIKAMH-INIZCTEOSA-N 2 1 339.505 1.595 20 0 EDADMP O=C([C@H]1CCC[N@H+](Cc2nc(C3CC3)cs2)C1)N1CC[NH2+]CC1 ZINC000420302635 446466081 /nfs/dbraw/zinc/46/60/81/446466081.db2.gz WTJKZCBWNLNBSM-AWEZNQCLSA-N 2 1 334.489 1.664 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2nc(C3CC3)cs2)C1)N1CC[NH2+]CC1 ZINC000420302635 446466091 /nfs/dbraw/zinc/46/60/91/446466091.db2.gz WTJKZCBWNLNBSM-AWEZNQCLSA-N 2 1 334.489 1.664 20 0 EDADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000423260179 446467214 /nfs/dbraw/zinc/46/72/14/446467214.db2.gz GTTFZJASWQZRHB-WBMJQRKESA-N 2 1 325.478 1.892 20 0 EDADMP CS(=O)(=O)N(CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000420306527 446470488 /nfs/dbraw/zinc/47/04/88/446470488.db2.gz LEXCHIYFOVNSFA-BBWFWOEESA-N 2 1 337.489 1.117 20 0 EDADMP CS(=O)(=O)N(CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000420306527 446470491 /nfs/dbraw/zinc/47/04/91/446470491.db2.gz LEXCHIYFOVNSFA-BBWFWOEESA-N 2 1 337.489 1.117 20 0 EDADMP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420317515 446483989 /nfs/dbraw/zinc/48/39/89/446483989.db2.gz UUGQXPVSGYEMGU-CQSZACIVSA-N 2 1 333.432 1.497 20 0 EDADMP C[C@@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)[N@H+]1CCCC[C@H]1C ZINC000423319194 446486908 /nfs/dbraw/zinc/48/69/08/446486908.db2.gz DCKRREWGDUQRSV-PMPSAXMXSA-N 2 1 347.507 1.880 20 0 EDADMP COC[C@@]1(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000423336477 446492958 /nfs/dbraw/zinc/49/29/58/446492958.db2.gz SUYZKNOHCQBJDY-SOLBZPMBSA-N 2 1 325.497 1.487 20 0 EDADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334972 446504173 /nfs/dbraw/zinc/50/41/73/446504173.db2.gz UQEDAPYZLGAEMW-BRWVUGGUSA-N 2 1 337.508 1.711 20 0 EDADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334972 446504178 /nfs/dbraw/zinc/50/41/78/446504178.db2.gz UQEDAPYZLGAEMW-BRWVUGGUSA-N 2 1 337.508 1.711 20 0 EDADMP COc1cccc([C@@H](C)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000374999627 446504453 /nfs/dbraw/zinc/50/44/53/446504453.db2.gz RPOITXRTEPADAO-MRXNPFEDSA-N 2 1 334.460 1.915 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)CC12CCOCC2 ZINC000420338406 446507275 /nfs/dbraw/zinc/50/72/75/446507275.db2.gz XYCZGKCLFWOKJM-DOTOQJQBSA-N 2 1 329.444 1.479 20 0 EDADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)CC12CCOCC2 ZINC000420338406 446507281 /nfs/dbraw/zinc/50/72/81/446507281.db2.gz XYCZGKCLFWOKJM-DOTOQJQBSA-N 2 1 329.444 1.479 20 0 EDADMP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337391 446508267 /nfs/dbraw/zinc/50/82/67/446508267.db2.gz WVDSOTAZUHITFA-ZIAGYGMSSA-N 2 1 335.423 1.840 20 0 EDADMP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337391 446508274 /nfs/dbraw/zinc/50/82/74/446508274.db2.gz WVDSOTAZUHITFA-ZIAGYGMSSA-N 2 1 335.423 1.840 20 0 EDADMP CC[C@H]1CN(C(=O)c2ccccc2CC[NH2+]C)CC[N@H+]1C[C@H](C)O ZINC000423383530 446510236 /nfs/dbraw/zinc/51/02/36/446510236.db2.gz JMHLFAAMQWPGJJ-RDJZCZTQSA-N 2 1 333.476 1.366 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)n1C ZINC000423395727 446516376 /nfs/dbraw/zinc/51/63/76/446516376.db2.gz ARZHWFBCXBYBEI-OAHLLOKOSA-N 2 1 329.448 1.829 20 0 EDADMP CC[C@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000423395433 446515301 /nfs/dbraw/zinc/51/53/01/446515301.db2.gz SOJGVUGTOKMONP-CABCVRRESA-N 2 1 349.479 1.060 20 0 EDADMP CC[C@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000423395433 446515309 /nfs/dbraw/zinc/51/53/09/446515309.db2.gz SOJGVUGTOKMONP-CABCVRRESA-N 2 1 349.479 1.060 20 0 EDADMP Cn1cc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000423392135 446515611 /nfs/dbraw/zinc/51/56/11/446515611.db2.gz XLXNHRQHPYLWTB-LSDHHAIUSA-N 2 1 345.491 1.634 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000418322580 446497555 /nfs/dbraw/zinc/49/75/55/446497555.db2.gz TURPGTFYVLBGHK-SFHVURJKSA-N 2 1 330.476 1.822 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000423359838 446499710 /nfs/dbraw/zinc/49/97/10/446499710.db2.gz PQXSYWXVMRWVPV-DOTOQJQBSA-N 2 1 333.480 1.658 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@H]1CCOc2ccccc21 ZINC000420331502 446500451 /nfs/dbraw/zinc/50/04/51/446500451.db2.gz CBUCBLWURDVLEV-BQFCYCMXSA-N 2 1 343.471 1.948 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000418480953 446558902 /nfs/dbraw/zinc/55/89/02/446558902.db2.gz DCOHIIBXNWRAKW-KRWDZBQOSA-N 2 1 347.507 1.040 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420391481 446566242 /nfs/dbraw/zinc/56/62/42/446566242.db2.gz IKFFRCKVKHXYBO-QZTJIDSGSA-N 2 1 345.487 1.818 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420391481 446566248 /nfs/dbraw/zinc/56/62/48/446566248.db2.gz IKFFRCKVKHXYBO-QZTJIDSGSA-N 2 1 345.487 1.818 20 0 EDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423400337 446518596 /nfs/dbraw/zinc/51/85/96/446518596.db2.gz QFVUKLXBCCUFFK-DVOMOZLQSA-N 2 1 325.478 1.586 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc2c(c1)OCCO2 ZINC000420346273 446519003 /nfs/dbraw/zinc/51/90/03/446519003.db2.gz XYJNRPXDUXPVQC-LSDHHAIUSA-N 2 1 345.443 1.718 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(COC)CC[NH2+]C2)C1 ZINC000423410687 446521213 /nfs/dbraw/zinc/52/12/13/446521213.db2.gz SJOPZPFFQLUZIP-CRAIPNDOSA-N 2 1 325.497 1.629 20 0 EDADMP [NH3+]C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000418393226 446525865 /nfs/dbraw/zinc/52/58/65/446525865.db2.gz DXLDSIWMWBFFTI-QGZVFWFLSA-N 2 1 334.439 1.780 20 0 EDADMP [NH3+]C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000418393226 446525867 /nfs/dbraw/zinc/52/58/67/446525867.db2.gz DXLDSIWMWBFFTI-QGZVFWFLSA-N 2 1 334.439 1.780 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351708 446529859 /nfs/dbraw/zinc/52/98/59/446529859.db2.gz AFJZSUJZGNZOBD-LJQANCHMSA-N 2 1 327.428 1.748 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351708 446529871 /nfs/dbraw/zinc/52/98/71/446529871.db2.gz AFJZSUJZGNZOBD-LJQANCHMSA-N 2 1 327.428 1.748 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423425505 446531467 /nfs/dbraw/zinc/53/14/67/446531467.db2.gz MHNAMAKNJONTDW-CVEARBPZSA-N 2 1 347.507 1.881 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1C ZINC000420353829 446533809 /nfs/dbraw/zinc/53/38/09/446533809.db2.gz CDAAQKGRBHDLIO-HNNXBMFYSA-N 2 1 332.448 1.929 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000418499478 446567316 /nfs/dbraw/zinc/56/73/16/446567316.db2.gz YAPYORVXNDZBDH-VKJFTORMSA-N 2 1 346.475 1.568 20 0 EDADMP O=C(NCC[NH2+]C1CCCCCC1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418440737 446543940 /nfs/dbraw/zinc/54/39/40/446543940.db2.gz HQBKPBSVFRCNHE-QGZVFWFLSA-N 2 1 340.512 1.445 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420367503 446547169 /nfs/dbraw/zinc/54/71/69/446547169.db2.gz SPOAUZAQKBPPDW-QGZVFWFLSA-N 2 1 333.476 1.817 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418454281 446549025 /nfs/dbraw/zinc/54/90/25/446549025.db2.gz QAYZYPKCRWZMHI-QGZVFWFLSA-N 2 1 335.496 1.211 20 0 EDADMP CN(CCCN(C)C(=O)NC[C@@H]([NH3+])c1ccccc1)CC[NH+](C)C ZINC000418454281 446549035 /nfs/dbraw/zinc/54/90/35/446549035.db2.gz QAYZYPKCRWZMHI-QGZVFWFLSA-N 2 1 335.496 1.211 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]CC1 ZINC000423474071 446550274 /nfs/dbraw/zinc/55/02/74/446550274.db2.gz JHTOLXAPAVZIRO-OLZOCXBDSA-N 3 1 333.423 1.142 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1 ZINC000418457950 446550706 /nfs/dbraw/zinc/55/07/06/446550706.db2.gz HIONCPPKIQELTB-MRXNPFEDSA-N 2 1 349.523 1.731 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CCCN(C)CC[NH+](C)C)cc1 ZINC000418457950 446550710 /nfs/dbraw/zinc/55/07/10/446550710.db2.gz HIONCPPKIQELTB-MRXNPFEDSA-N 2 1 349.523 1.731 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418600120 446610431 /nfs/dbraw/zinc/61/04/31/446610431.db2.gz KIWDBTUFPDSIIZ-NXHRZFHOSA-N 2 1 348.491 1.167 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000418505962 446569952 /nfs/dbraw/zinc/56/99/52/446569952.db2.gz GQDJBOQJCBUYQC-UHFFFAOYSA-N 2 1 340.512 1.520 20 0 EDADMP [NH3+]C1(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CCC1 ZINC000418507245 446571808 /nfs/dbraw/zinc/57/18/08/446571808.db2.gz IMUCIWJHNOIOBS-IAGOWNOFSA-N 2 1 346.475 1.050 20 0 EDADMP [NH3+]CC1(O)CC[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000420410002 446583738 /nfs/dbraw/zinc/58/37/38/446583738.db2.gz ZDKYFINUFHICAM-UHFFFAOYSA-N 2 1 331.338 1.430 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418579289 446602095 /nfs/dbraw/zinc/60/20/95/446602095.db2.gz REEZPXKRDQIJMD-AEFFLSMTSA-N 2 1 330.476 1.554 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@@H]1CC ZINC000418597792 446608568 /nfs/dbraw/zinc/60/85/68/446608568.db2.gz PXHHMGOCZGJPSM-IRXDYDNUSA-N 2 1 340.512 1.646 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C[C@H]1C ZINC000434356782 446640125 /nfs/dbraw/zinc/64/01/25/446640125.db2.gz YKGMNWUWNIPTOA-WBVHZDCISA-N 2 1 338.496 1.365 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C[C@H]1C ZINC000434356782 446640134 /nfs/dbraw/zinc/64/01/34/446640134.db2.gz YKGMNWUWNIPTOA-WBVHZDCISA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C[C@H]1C ZINC000434356782 446640142 /nfs/dbraw/zinc/64/01/42/446640142.db2.gz YKGMNWUWNIPTOA-WBVHZDCISA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C[C@H]1C ZINC000434356782 446640149 /nfs/dbraw/zinc/64/01/49/446640149.db2.gz YKGMNWUWNIPTOA-WBVHZDCISA-N 2 1 338.496 1.365 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000423748816 446677979 /nfs/dbraw/zinc/67/79/79/446677979.db2.gz QUPINTKZKBRARG-KKUMJFAQSA-N 2 1 327.469 1.236 20 0 EDADMP COCC[C@]1(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC[NH2+]C1 ZINC000376695875 446657891 /nfs/dbraw/zinc/65/78/91/446657891.db2.gz RNLOFAGDGZVPRD-GOSISDBHSA-N 2 1 348.447 1.141 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418737788 446661776 /nfs/dbraw/zinc/66/17/76/446661776.db2.gz WCIAULPDGMBTCZ-WBVHZDCISA-N 2 1 333.480 1.815 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418754477 446674588 /nfs/dbraw/zinc/67/45/88/446674588.db2.gz WQDREAOXGGTMIF-RDJZCZTQSA-N 2 1 346.475 1.883 20 0 EDADMP CN(C(=O)NCCN1CCOCC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376746777 446692761 /nfs/dbraw/zinc/69/27/61/446692761.db2.gz PYZHBQVGXFFYNM-XYPWUTKMSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)COC1CCC([NH3+])CC1 ZINC000423767228 446693959 /nfs/dbraw/zinc/69/39/59/446693959.db2.gz ABCJWHSWKOJRFI-JYPHPWERSA-N 2 1 345.487 1.910 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418794087 446706101 /nfs/dbraw/zinc/70/61/01/446706101.db2.gz QTTXRBORBPOGPP-QGZVFWFLSA-N 2 1 348.491 1.575 20 0 EDADMP CN(C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376776431 446711577 /nfs/dbraw/zinc/71/15/77/446711577.db2.gz HWPMMDQQVMFTLU-HODAJMAFSA-N 2 1 336.480 1.116 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)[C@H]3C[NH2+]CCO3)CC[N@H+]2C2CC2)c1 ZINC000423833631 446721651 /nfs/dbraw/zinc/72/16/51/446721651.db2.gz TXWIBUVWWIHMOZ-KURKYZTESA-N 2 1 345.443 1.078 20 0 EDADMP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000371271401 446730639 /nfs/dbraw/zinc/73/06/39/446730639.db2.gz QIVWNDVUZCQKFK-OTWHNJEPSA-N 2 1 343.471 1.630 20 0 EDADMP C[NH+](C)C/C=C/C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000371291712 446748594 /nfs/dbraw/zinc/74/85/94/446748594.db2.gz LKAMITHZBVYPGS-LJFWHQRKSA-N 2 1 331.460 1.103 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H](O)CC(C)(C)C)C2)CC1 ZINC000368266032 446748664 /nfs/dbraw/zinc/74/86/64/446748664.db2.gz RUEQKGNYJHUKGP-ZBFHGGJFSA-N 2 1 325.497 1.458 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C[C@H](O)CC(C)(C)C)C2)CC1 ZINC000368266032 446748669 /nfs/dbraw/zinc/74/86/69/446748669.db2.gz RUEQKGNYJHUKGP-ZBFHGGJFSA-N 2 1 325.497 1.458 20 0 EDADMP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423905142 446756078 /nfs/dbraw/zinc/75/60/78/446756078.db2.gz OXKFWDLWOPVVPQ-GBESFXJTSA-N 2 1 343.471 1.488 20 0 EDADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423917431 446767450 /nfs/dbraw/zinc/76/74/50/446767450.db2.gz ZNZPBUSGHHOFBV-QYZOEREBSA-N 2 1 343.471 1.488 20 0 EDADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423917431 446767456 /nfs/dbraw/zinc/76/74/56/446767456.db2.gz ZNZPBUSGHHOFBV-QYZOEREBSA-N 2 1 343.471 1.488 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412032984 446795071 /nfs/dbraw/zinc/79/50/71/446795071.db2.gz IDCJJUYUBSSRNI-OGWHTMIXSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000412032984 446795076 /nfs/dbraw/zinc/79/50/76/446795076.db2.gz IDCJJUYUBSSRNI-OGWHTMIXSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000412032984 446795080 /nfs/dbraw/zinc/79/50/80/446795080.db2.gz IDCJJUYUBSSRNI-OGWHTMIXSA-N 2 1 345.487 1.468 20 0 EDADMP COC(=O)CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375454270 446810928 /nfs/dbraw/zinc/81/09/28/446810928.db2.gz JEDUHDICZZERPQ-QGPMSJSTSA-N 2 1 347.459 1.337 20 0 EDADMP COC(=O)CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375454270 446810932 /nfs/dbraw/zinc/81/09/32/446810932.db2.gz JEDUHDICZZERPQ-QGPMSJSTSA-N 2 1 347.459 1.337 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1C[NH3+] ZINC000423997632 446815642 /nfs/dbraw/zinc/81/56/42/446815642.db2.gz ACHQBMICBFRUNL-KBAYOESNSA-N 2 1 331.460 1.331 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1C[NH3+] ZINC000423997632 446815643 /nfs/dbraw/zinc/81/56/43/446815643.db2.gz ACHQBMICBFRUNL-KBAYOESNSA-N 2 1 331.460 1.331 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CCCO1 ZINC000424019265 446826781 /nfs/dbraw/zinc/82/67/81/446826781.db2.gz JTOVBORSYKIYKT-ROUUACIJSA-N 2 1 349.450 1.756 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CCCO1 ZINC000424019265 446826786 /nfs/dbraw/zinc/82/67/86/446826786.db2.gz JTOVBORSYKIYKT-ROUUACIJSA-N 2 1 349.450 1.756 20 0 EDADMP [NH3+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000424064622 446835543 /nfs/dbraw/zinc/83/55/43/446835543.db2.gz VYSZTUJXNDSBGG-INIZCTEOSA-N 2 1 335.423 1.102 20 0 EDADMP [NH3+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000424064622 446835550 /nfs/dbraw/zinc/83/55/50/446835550.db2.gz VYSZTUJXNDSBGG-INIZCTEOSA-N 2 1 335.423 1.102 20 0 EDADMP C[C@H](C(=O)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1)N1CC[NH+](C)CC1 ZINC000371407366 446836111 /nfs/dbraw/zinc/83/61/11/446836111.db2.gz BQPBJRVVDMDFHM-IAGOWNOFSA-N 2 1 348.535 1.345 20 0 EDADMP C[C@H](C(=O)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1)N1CC[NH+](C)CC1 ZINC000371407366 446836117 /nfs/dbraw/zinc/83/61/17/446836117.db2.gz BQPBJRVVDMDFHM-IAGOWNOFSA-N 2 1 348.535 1.345 20 0 EDADMP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CCC1 ZINC000368467256 446881120 /nfs/dbraw/zinc/88/11/20/446881120.db2.gz VXRVBQXRLRIEJT-IXDOHACOSA-N 2 1 337.508 1.772 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@H]1CCN2CCO[C@H]1C2)[N@H+]1CCC[C@@H](C)C1 ZINC000454519534 446898595 /nfs/dbraw/zinc/89/85/95/446898595.db2.gz WOPXXYSNYWISCF-QZWWFDLISA-N 2 1 338.496 1.221 20 0 EDADMP C[C@H]1CN(CC[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000375593337 446911379 /nfs/dbraw/zinc/91/13/79/446911379.db2.gz XJNQIKLXQZGPPD-KRWDZBQOSA-N 2 1 332.492 1.951 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1C ZINC000442610686 446914813 /nfs/dbraw/zinc/91/48/13/446914813.db2.gz PWJFECPNSILNND-HZPDHXFCSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000442610686 446914816 /nfs/dbraw/zinc/91/48/16/446914816.db2.gz PWJFECPNSILNND-HZPDHXFCSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000442610686 446914818 /nfs/dbraw/zinc/91/48/18/446914818.db2.gz PWJFECPNSILNND-HZPDHXFCSA-N 2 1 339.528 1.137 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)NCCCCO)CC2)CC1 ZINC000377098112 446917516 /nfs/dbraw/zinc/91/75/16/446917516.db2.gz PZGHJEZIZLYXLY-UHFFFAOYSA-N 2 1 340.512 1.254 20 0 EDADMP C[C@@H](C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCSCC1 ZINC000442661133 446928053 /nfs/dbraw/zinc/92/80/53/446928053.db2.gz TXKNLNSPVSHPNF-XHSDSOJGSA-N 2 1 343.537 1.429 20 0 EDADMP C[C@@H](C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCSCC1 ZINC000442661133 446928057 /nfs/dbraw/zinc/92/80/57/446928057.db2.gz TXKNLNSPVSHPNF-XHSDSOJGSA-N 2 1 343.537 1.429 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000442758452 446954275 /nfs/dbraw/zinc/95/42/75/446954275.db2.gz IPFCZJUHWSIQOD-RDBSUJKOSA-N 2 1 335.448 1.550 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000442758452 446954280 /nfs/dbraw/zinc/95/42/80/446954280.db2.gz IPFCZJUHWSIQOD-RDBSUJKOSA-N 2 1 335.448 1.550 20 0 EDADMP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442777525 446965301 /nfs/dbraw/zinc/96/53/01/446965301.db2.gz IYBNSRIYGLIUSO-QLFBSQMISA-N 2 1 328.460 1.884 20 0 EDADMP C[NH2+]CCNC(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000419198169 447007017 /nfs/dbraw/zinc/00/70/17/447007017.db2.gz YQOIIYVKDJUXOJ-HNNXBMFYSA-N 2 1 346.475 1.013 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)[N@H+](C)C1 ZINC000425017134 446994648 /nfs/dbraw/zinc/99/46/48/446994648.db2.gz YDNLQCIVBYUZPX-CADBVGFASA-N 2 1 343.471 1.438 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)[N@@H+](C)C1 ZINC000425017134 446994655 /nfs/dbraw/zinc/99/46/55/446994655.db2.gz YDNLQCIVBYUZPX-CADBVGFASA-N 2 1 343.471 1.438 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)[NH+](C)C1 ZINC000425017134 446994659 /nfs/dbraw/zinc/99/46/59/446994659.db2.gz YDNLQCIVBYUZPX-CADBVGFASA-N 2 1 343.471 1.438 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)[NH+](C)C1 ZINC000425017134 446994664 /nfs/dbraw/zinc/99/46/64/446994664.db2.gz YDNLQCIVBYUZPX-CADBVGFASA-N 2 1 343.471 1.438 20 0 EDADMP COC1(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)CC[NH2+]CC1 ZINC000372099677 447000359 /nfs/dbraw/zinc/00/03/59/447000359.db2.gz XOQWTFXUGCPAOF-DZGCQCFKSA-N 2 1 337.489 1.626 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000413102132 447002269 /nfs/dbraw/zinc/00/22/69/447002269.db2.gz VBUWQGLISSNMDO-MRXNPFEDSA-N 2 1 334.464 1.520 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)NCCC[NH3+] ZINC000419196394 447005101 /nfs/dbraw/zinc/00/51/01/447005101.db2.gz ATXFHBWDALLWKO-OAHLLOKOSA-N 2 1 346.475 1.142 20 0 EDADMP CN(C(=O)NCCC1(O)CCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377275735 447035152 /nfs/dbraw/zinc/03/51/52/447035152.db2.gz KUXYXBPCGUANGB-INIZCTEOSA-N 2 1 338.496 1.101 20 0 EDADMP CN(C(=O)NCCC1(O)CCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377275735 447035158 /nfs/dbraw/zinc/03/51/58/447035158.db2.gz KUXYXBPCGUANGB-INIZCTEOSA-N 2 1 338.496 1.101 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000377283521 447039322 /nfs/dbraw/zinc/03/93/22/447039322.db2.gz REOYTZCKLKFWMN-QGZVFWFLSA-N 2 1 340.512 1.397 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000377283521 447039328 /nfs/dbraw/zinc/03/93/28/447039328.db2.gz REOYTZCKLKFWMN-QGZVFWFLSA-N 2 1 340.512 1.397 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000377283521 447039331 /nfs/dbraw/zinc/03/93/31/447039331.db2.gz REOYTZCKLKFWMN-QGZVFWFLSA-N 2 1 340.512 1.397 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC000372344599 447041708 /nfs/dbraw/zinc/04/17/08/447041708.db2.gz CTBCWEFWIDICBQ-IAGOWNOFSA-N 2 1 347.507 1.704 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000372344599 447041718 /nfs/dbraw/zinc/04/17/18/447041718.db2.gz CTBCWEFWIDICBQ-IAGOWNOFSA-N 2 1 347.507 1.704 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000372344599 447041727 /nfs/dbraw/zinc/04/17/27/447041727.db2.gz CTBCWEFWIDICBQ-IAGOWNOFSA-N 2 1 347.507 1.704 20 0 EDADMP NC(=O)NC(=O)CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368691747 447041793 /nfs/dbraw/zinc/04/17/93/447041793.db2.gz ISFCBZCWVAKFDO-DLBZAZTESA-N 2 1 344.459 1.415 20 0 EDADMP NC(=O)NC(=O)CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368691747 447041799 /nfs/dbraw/zinc/04/17/99/447041799.db2.gz ISFCBZCWVAKFDO-DLBZAZTESA-N 2 1 344.459 1.415 20 0 EDADMP NC(=O)NC(=O)CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368691747 447041807 /nfs/dbraw/zinc/04/18/07/447041807.db2.gz ISFCBZCWVAKFDO-DLBZAZTESA-N 2 1 344.459 1.415 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)c1c[nH+]ccc1N)c1ccccc1 ZINC000444181404 447090449 /nfs/dbraw/zinc/09/04/49/447090449.db2.gz IYTKDOLQGHCLIB-GOSISDBHSA-N 2 1 342.443 1.934 20 0 EDADMP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CC[NH2+]1 ZINC000444183075 447090746 /nfs/dbraw/zinc/09/07/46/447090746.db2.gz MFFKKYONPQCYHA-UONOGXRCSA-N 2 1 327.350 1.758 20 0 EDADMP Cc1cc(NCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n2ncnc2n1 ZINC000375851125 447098864 /nfs/dbraw/zinc/09/88/64/447098864.db2.gz KSKPQTWANOJHIA-RBSFLKMASA-N 2 1 329.452 1.307 20 0 EDADMP CC[C@@H](C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC000413303401 447126611 /nfs/dbraw/zinc/12/66/11/447126611.db2.gz QCBPPDSNPREPFL-RDJZCZTQSA-N 2 1 346.475 1.663 20 0 EDADMP COc1cccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000375897807 447130123 /nfs/dbraw/zinc/13/01/23/447130123.db2.gz LSSWVGXANAOZBS-KURKYZTESA-N 2 1 331.460 1.887 20 0 EDADMP CN(C)CC[N@H+](C)CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000377437181 447132961 /nfs/dbraw/zinc/13/29/61/447132961.db2.gz ATDFQGLNQHAFGF-MRXNPFEDSA-N 2 1 333.480 1.508 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000377437181 447132965 /nfs/dbraw/zinc/13/29/65/447132965.db2.gz ATDFQGLNQHAFGF-MRXNPFEDSA-N 2 1 333.480 1.508 20 0 EDADMP C[C@H](CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[NH+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000425527788 447212338 /nfs/dbraw/zinc/21/23/38/447212338.db2.gz NYOQYKTVFLDPGS-GRLHSABHSA-N 2 1 336.520 1.951 20 0 EDADMP C[C@H](CC[NH+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000425527788 447212345 /nfs/dbraw/zinc/21/23/45/447212345.db2.gz NYOQYKTVFLDPGS-GRLHSABHSA-N 2 1 336.520 1.951 20 0 EDADMP C[C@H](CC[NH+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000425527788 447212348 /nfs/dbraw/zinc/21/23/48/447212348.db2.gz NYOQYKTVFLDPGS-GRLHSABHSA-N 2 1 336.520 1.951 20 0 EDADMP COc1c(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c(C)nn1C ZINC000377620372 447248824 /nfs/dbraw/zinc/24/88/24/447248824.db2.gz FIUKLQXJFLWOGR-MRXNPFEDSA-N 2 1 335.496 1.197 20 0 EDADMP COc1c(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c(C)nn1C ZINC000377620372 447248832 /nfs/dbraw/zinc/24/88/32/447248832.db2.gz FIUKLQXJFLWOGR-MRXNPFEDSA-N 2 1 335.496 1.197 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@H]3CC[NH+](CC4CCCC4)C3)[C@@H]2C1 ZINC000425676921 447264332 /nfs/dbraw/zinc/26/43/32/447264332.db2.gz IABTVVBKJRHCHF-OKZBNKHCSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000425676921 447264336 /nfs/dbraw/zinc/26/43/36/447264336.db2.gz IABTVVBKJRHCHF-OKZBNKHCSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000425676921 447264342 /nfs/dbraw/zinc/26/43/42/447264342.db2.gz IABTVVBKJRHCHF-OKZBNKHCSA-N 2 1 334.508 1.987 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425787173 447303515 /nfs/dbraw/zinc/30/35/15/447303515.db2.gz VGIRJTSLUWNKMH-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP COC[C@]1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000379666288 447453552 /nfs/dbraw/zinc/45/35/52/447453552.db2.gz VTXTVOVNILKGNH-QUCCMNQESA-N 2 1 345.487 1.783 20 0 EDADMP COCCOC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000450399021 447477743 /nfs/dbraw/zinc/47/77/43/447477743.db2.gz BNMWNXDMKJHITM-OKZBNKHCSA-N 2 1 328.497 1.597 20 0 EDADMP COCCOC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000450399021 447477746 /nfs/dbraw/zinc/47/77/46/447477746.db2.gz BNMWNXDMKJHITM-OKZBNKHCSA-N 2 1 328.497 1.597 20 0 EDADMP COCCOC[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000450399021 447477751 /nfs/dbraw/zinc/47/77/51/447477751.db2.gz BNMWNXDMKJHITM-OKZBNKHCSA-N 2 1 328.497 1.597 20 0 EDADMP COCCOC[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000450399021 447477757 /nfs/dbraw/zinc/47/77/57/447477757.db2.gz BNMWNXDMKJHITM-OKZBNKHCSA-N 2 1 328.497 1.597 20 0 EDADMP O=C(NCCCCC[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458863486 447491568 /nfs/dbraw/zinc/49/15/68/447491568.db2.gz YSYHSDQVKCKRMX-KRWDZBQOSA-N 2 1 340.512 1.399 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419930119 447497394 /nfs/dbraw/zinc/49/73/94/447497394.db2.gz NRFLXFGGMMUOTA-DLBZAZTESA-N 2 1 346.475 1.135 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)C[C@H](C)O1 ZINC000426781373 447500242 /nfs/dbraw/zinc/50/02/42/447500242.db2.gz BPFSYYSMLPCXDJ-FCEWJHQRSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000391054239 447509408 /nfs/dbraw/zinc/50/94/08/447509408.db2.gz IFVBSDRNSVLRMK-RTBURBONSA-N 2 1 336.476 1.653 20 0 EDADMP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000391054239 447509412 /nfs/dbraw/zinc/50/94/12/447509412.db2.gz IFVBSDRNSVLRMK-RTBURBONSA-N 2 1 336.476 1.653 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000450502809 447509826 /nfs/dbraw/zinc/50/98/26/447509826.db2.gz QIBMXGOMASZELQ-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000450502809 447509832 /nfs/dbraw/zinc/50/98/32/447509832.db2.gz QIBMXGOMASZELQ-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000450502809 447509836 /nfs/dbraw/zinc/50/98/36/447509836.db2.gz QIBMXGOMASZELQ-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000426899215 447514325 /nfs/dbraw/zinc/51/43/25/447514325.db2.gz ZGKAKUIFQDBRQE-HLLBOEOZSA-N 2 1 349.475 1.799 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC000457102156 447516928 /nfs/dbraw/zinc/51/69/28/447516928.db2.gz ZNEYNWCIHKAWEV-INIZCTEOSA-N 2 1 345.491 1.388 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C[C@@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000427292986 447575904 /nfs/dbraw/zinc/57/59/04/447575904.db2.gz WMNBXRAUELOXJP-PKOBYXMFSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C[C@@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000427292986 447575909 /nfs/dbraw/zinc/57/59/09/447575909.db2.gz WMNBXRAUELOXJP-PKOBYXMFSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C[C@@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000427292986 447575913 /nfs/dbraw/zinc/57/59/13/447575913.db2.gz WMNBXRAUELOXJP-PKOBYXMFSA-N 2 1 344.503 1.481 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000457559318 447597384 /nfs/dbraw/zinc/59/73/84/447597384.db2.gz OXGJTZQVTAOFDX-UHFFFAOYSA-N 2 1 342.443 1.983 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000420111431 447609177 /nfs/dbraw/zinc/60/91/77/447609177.db2.gz CKKWJARZAYJIHF-GRDNDAEWSA-N 2 1 344.459 1.018 20 0 EDADMP Cc1ccc(NCCCNC(=O)NCC[C@H]2CCC[N@H+](C)C2)nc1 ZINC000457723054 447622327 /nfs/dbraw/zinc/62/23/27/447622327.db2.gz CNOMOOPRXGVPSF-MRXNPFEDSA-N 2 1 333.480 2.223 20 0 EDADMP Cc1ccc(NCCCNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)[nH+]c1 ZINC000457723054 447622333 /nfs/dbraw/zinc/62/23/33/447622333.db2.gz CNOMOOPRXGVPSF-MRXNPFEDSA-N 2 1 333.480 2.223 20 0 EDADMP Cc1ccc(NCCCNC(=O)NCC[C@H]2CCC[N@H+](C)C2)[nH+]c1 ZINC000457723054 447622336 /nfs/dbraw/zinc/62/23/36/447622336.db2.gz CNOMOOPRXGVPSF-MRXNPFEDSA-N 2 1 333.480 2.223 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000416828909 447693296 /nfs/dbraw/zinc/69/32/96/447693296.db2.gz FGFQNVRPZOARLB-NVXWUHKLSA-N 2 1 346.475 1.834 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000416863887 447697809 /nfs/dbraw/zinc/69/78/09/447697809.db2.gz HJDRWZBWUJZZLA-GDBMZVCRSA-N 2 1 326.485 1.112 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416913423 447706792 /nfs/dbraw/zinc/70/67/92/447706792.db2.gz DRQQOLLQOGTXMO-XUWVNRHRSA-N 2 1 340.512 1.786 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416913423 447706795 /nfs/dbraw/zinc/70/67/95/447706795.db2.gz DRQQOLLQOGTXMO-XUWVNRHRSA-N 2 1 340.512 1.786 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000457929460 447674864 /nfs/dbraw/zinc/67/48/64/447674864.db2.gz JRWQBLGSWRHABL-BRWVUGGUSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000457929460 447674868 /nfs/dbraw/zinc/67/48/68/447674868.db2.gz JRWQBLGSWRHABL-BRWVUGGUSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000457929460 447674872 /nfs/dbraw/zinc/67/48/72/447674872.db2.gz JRWQBLGSWRHABL-BRWVUGGUSA-N 2 1 340.512 1.253 20 0 EDADMP CON1CCC([N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000459578502 447712183 /nfs/dbraw/zinc/71/21/83/447712183.db2.gz IVRPKTJGVDXUKI-GOSISDBHSA-N 2 1 348.491 1.363 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@@H](C)O1 ZINC000416932820 447713257 /nfs/dbraw/zinc/71/32/57/447713257.db2.gz RFIJWWCKNKREKS-FMKPAKJESA-N 2 1 340.512 1.691 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000416941203 447716847 /nfs/dbraw/zinc/71/68/47/447716847.db2.gz JRNKDFHGKNXFFU-BPKGMFCQSA-N 2 1 338.496 1.173 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000416941997 447718371 /nfs/dbraw/zinc/71/83/71/447718371.db2.gz RFBHDEDRUVXSMA-CVEARBPZSA-N 2 1 326.485 1.175 20 0 EDADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000422738886 447734313 /nfs/dbraw/zinc/73/43/13/447734313.db2.gz KGORIFYOAPJUSN-JQHSSLGASA-N 2 1 332.492 1.122 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)CC1 ZINC000459666442 447735908 /nfs/dbraw/zinc/73/59/08/447735908.db2.gz CDXONRVBZKPGKJ-DLBZAZTESA-N 2 1 335.492 1.476 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000417266384 447739254 /nfs/dbraw/zinc/73/92/54/447739254.db2.gz DRGAKJFRJRFPQK-CVEARBPZSA-N 2 1 348.491 1.562 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000417266384 447739263 /nfs/dbraw/zinc/73/92/63/447739263.db2.gz DRGAKJFRJRFPQK-CVEARBPZSA-N 2 1 348.491 1.562 20 0 EDADMP CC(C)C[N@@H+]1CCO[C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422766277 447744217 /nfs/dbraw/zinc/74/42/17/447744217.db2.gz LSASWJJMCVYGHS-XMTFNYHQSA-N 2 1 325.497 1.090 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422766277 447744219 /nfs/dbraw/zinc/74/42/19/447744219.db2.gz LSASWJJMCVYGHS-XMTFNYHQSA-N 2 1 325.497 1.090 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000422774770 447747663 /nfs/dbraw/zinc/74/76/63/447747663.db2.gz YJZJFDRWSALETG-IAGOWNOFSA-N 2 1 337.489 1.831 20 0 EDADMP COCCC[N@H+](C)CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790789 447751420 /nfs/dbraw/zinc/75/14/20/447751420.db2.gz XYOFULPXMUCNER-PKOBYXMFSA-N 2 1 333.476 1.800 20 0 EDADMP COCCC[N@@H+](C)CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790789 447751421 /nfs/dbraw/zinc/75/14/21/447751421.db2.gz XYOFULPXMUCNER-PKOBYXMFSA-N 2 1 333.476 1.800 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C1 ZINC000458296007 447763286 /nfs/dbraw/zinc/76/32/86/447763286.db2.gz QOPGSOSTAFEXOF-INIZCTEOSA-N 2 1 339.411 1.425 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C1 ZINC000458296007 447763290 /nfs/dbraw/zinc/76/32/90/447763290.db2.gz QOPGSOSTAFEXOF-INIZCTEOSA-N 2 1 339.411 1.425 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@@H+]1CCc2ccccc2C1 ZINC000452377645 447819233 /nfs/dbraw/zinc/81/92/33/447819233.db2.gz RNKYAECLVNHIKU-APWZRJJASA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@H+]1CCc2ccccc2C1 ZINC000452377645 447819234 /nfs/dbraw/zinc/81/92/34/447819234.db2.gz RNKYAECLVNHIKU-APWZRJJASA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1CCc2ccccc2C1 ZINC000452377645 447819236 /nfs/dbraw/zinc/81/92/36/447819236.db2.gz RNKYAECLVNHIKU-APWZRJJASA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCc2ccccc2C1 ZINC000452377645 447819237 /nfs/dbraw/zinc/81/92/37/447819237.db2.gz RNKYAECLVNHIKU-APWZRJJASA-N 2 1 345.487 1.396 20 0 EDADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCN1CCOCC1 ZINC000471875780 447816125 /nfs/dbraw/zinc/81/61/25/447816125.db2.gz XLCVJUMKPRHVFB-UXHICEINSA-N 2 1 331.504 1.991 20 0 EDADMP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000422914195 447771136 /nfs/dbraw/zinc/77/11/36/447771136.db2.gz SCPQZTJACXYQEE-CRAIPNDOSA-N 2 1 332.492 1.456 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422939593 447776509 /nfs/dbraw/zinc/77/65/09/447776509.db2.gz MEPXKHMLWSCZJW-JKSUJKDBSA-N 2 1 325.478 1.687 20 0 EDADMP C[C@@](C[NH3+])([NH2+]CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C1CC1 ZINC000430578191 447780325 /nfs/dbraw/zinc/78/03/25/447780325.db2.gz DTCGUZVYQBCJPS-INIZCTEOSA-N 2 1 338.839 1.485 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@@H]1CC[NH2+]C1)CC2 ZINC000422960587 447781472 /nfs/dbraw/zinc/78/14/72/447781472.db2.gz WWZXAAUOVBPPIP-MRXNPFEDSA-N 2 1 347.459 1.320 20 0 EDADMP C[C@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1c[nH+]ccc1N ZINC000422961997 447781673 /nfs/dbraw/zinc/78/16/73/447781673.db2.gz BMQFFGYPLKKXGB-WMLDXEAASA-N 2 1 326.444 1.564 20 0 EDADMP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000423033494 447795554 /nfs/dbraw/zinc/79/55/54/447795554.db2.gz OMQPWVJTFNRXEQ-ATZDWAIDSA-N 2 1 333.476 1.110 20 0 EDADMP CCOC1CC(C[NH2+][C@H](CC)[C@H]2CCCC[NH2+]2)(N2CCOCC2)C1 ZINC000423078988 447800842 /nfs/dbraw/zinc/80/08/42/447800842.db2.gz XDCOJRRAVBMGQW-QGLXBCBXSA-N 2 1 339.524 1.767 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000471635472 447806388 /nfs/dbraw/zinc/80/63/88/447806388.db2.gz KDDFKXUXTUSASG-IAGOWNOFSA-N 2 1 334.464 1.309 20 0 EDADMP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1)c1ccccc1 ZINC000523665624 447897462 /nfs/dbraw/zinc/89/74/62/447897462.db2.gz MDLWEXJINKIBOO-WMZOPIPTSA-N 2 1 345.487 1.954 20 0 EDADMP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000496823609 447943813 /nfs/dbraw/zinc/94/38/13/447943813.db2.gz ZLJVPLDDNRTDCS-ZDUSSCGKSA-N 2 1 348.451 1.275 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000524955957 447961427 /nfs/dbraw/zinc/96/14/27/447961427.db2.gz PAKAQNGJDBGOIN-CGTJXYLNSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000524955957 447961431 /nfs/dbraw/zinc/96/14/31/447961431.db2.gz PAKAQNGJDBGOIN-CGTJXYLNSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000524955957 447961433 /nfs/dbraw/zinc/96/14/33/447961433.db2.gz PAKAQNGJDBGOIN-CGTJXYLNSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000524955957 447961436 /nfs/dbraw/zinc/96/14/36/447961436.db2.gz PAKAQNGJDBGOIN-CGTJXYLNSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CC[NH+](C)C3)c2)CCO1 ZINC000524300321 447924538 /nfs/dbraw/zinc/92/45/38/447924538.db2.gz KYOVRTVWXYFESJ-CRAIPNDOSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CC[NH+](C)C3)c2)CCO1 ZINC000524300321 447924545 /nfs/dbraw/zinc/92/45/45/447924545.db2.gz KYOVRTVWXYFESJ-CRAIPNDOSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)c2)CCO1 ZINC000524300321 447924549 /nfs/dbraw/zinc/92/45/49/447924549.db2.gz KYOVRTVWXYFESJ-CRAIPNDOSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)c2)CCO1 ZINC000524300321 447924554 /nfs/dbraw/zinc/92/45/54/447924554.db2.gz KYOVRTVWXYFESJ-CRAIPNDOSA-N 2 1 331.460 1.475 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000525294347 447990000 /nfs/dbraw/zinc/99/00/00/447990000.db2.gz NRYLVPATYKYEMW-ARFHVFGLSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000525294347 447990002 /nfs/dbraw/zinc/99/00/02/447990002.db2.gz NRYLVPATYKYEMW-ARFHVFGLSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000525294347 447990006 /nfs/dbraw/zinc/99/00/06/447990006.db2.gz NRYLVPATYKYEMW-ARFHVFGLSA-N 2 1 326.485 1.125 20 0 EDADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253176 448007735 /nfs/dbraw/zinc/00/77/35/448007735.db2.gz POEGLAKQWXPCGS-IRXDYDNUSA-N 2 1 327.469 1.290 20 0 EDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253176 448007738 /nfs/dbraw/zinc/00/77/38/448007738.db2.gz POEGLAKQWXPCGS-IRXDYDNUSA-N 2 1 327.469 1.290 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253176 448007740 /nfs/dbraw/zinc/00/77/40/448007740.db2.gz POEGLAKQWXPCGS-IRXDYDNUSA-N 2 1 327.469 1.290 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253176 448007742 /nfs/dbraw/zinc/00/77/42/448007742.db2.gz POEGLAKQWXPCGS-IRXDYDNUSA-N 2 1 327.469 1.290 20 0 EDADMP CC1CC[NH+](CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000525690540 448012232 /nfs/dbraw/zinc/01/22/32/448012232.db2.gz SPHOGSBPVLQIKW-FQEVSTJZSA-N 2 1 345.487 1.472 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)COc2ccccc2F)CC1(C)C ZINC000576100892 447971204 /nfs/dbraw/zinc/97/12/04/447971204.db2.gz HYOBMOFQPNSPJK-HNNXBMFYSA-N 2 1 339.455 1.181 20 0 EDADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000496908604 448026118 /nfs/dbraw/zinc/02/61/18/448026118.db2.gz NMMCXUSKHXCFBC-PBHICJAKSA-N 2 1 329.485 1.440 20 0 EDADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000496908604 448026123 /nfs/dbraw/zinc/02/61/23/448026123.db2.gz NMMCXUSKHXCFBC-PBHICJAKSA-N 2 1 329.485 1.440 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570634805 448038995 /nfs/dbraw/zinc/03/89/95/448038995.db2.gz JNGUMKVAGDLIOL-AZUAARDMSA-N 2 1 343.471 1.490 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570634805 448039003 /nfs/dbraw/zinc/03/90/03/448039003.db2.gz JNGUMKVAGDLIOL-AZUAARDMSA-N 2 1 343.471 1.490 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(C)CCO[C@@H]3C)CC2)CC1 ZINC000576411004 448048731 /nfs/dbraw/zinc/04/87/31/448048731.db2.gz QKVKSPBVCFFWGU-DNVCBOLYSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000497260304 448014934 /nfs/dbraw/zinc/01/49/34/448014934.db2.gz ZMFZTPRRWLSKGO-QGZVFWFLSA-N 2 1 329.485 1.680 20 0 EDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000571053862 448101192 /nfs/dbraw/zinc/10/11/92/448101192.db2.gz ICUKMJOXKITRBF-QWHCGFSZSA-N 2 1 342.281 1.931 20 0 EDADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000571065617 448104112 /nfs/dbraw/zinc/10/41/12/448104112.db2.gz LODWJKBEIJEUDD-YOEHRIQHSA-N 2 1 348.495 1.553 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@H]2C1 ZINC000502738000 448104535 /nfs/dbraw/zinc/10/45/35/448104535.db2.gz HICZMGGTFOFKFE-OKZBNKHCSA-N 2 1 335.492 1.715 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@H]2C1 ZINC000502738000 448104539 /nfs/dbraw/zinc/10/45/39/448104539.db2.gz HICZMGGTFOFKFE-OKZBNKHCSA-N 2 1 335.492 1.715 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@H]2C1 ZINC000502738000 448104544 /nfs/dbraw/zinc/10/45/44/448104544.db2.gz HICZMGGTFOFKFE-OKZBNKHCSA-N 2 1 335.492 1.715 20 0 EDADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000571153666 448111810 /nfs/dbraw/zinc/11/18/10/448111810.db2.gz OHVWNVXADGSNKU-HKUYNNGSSA-N 2 1 335.492 1.356 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000576729885 448128303 /nfs/dbraw/zinc/12/83/03/448128303.db2.gz GPAKTCHQOYNHTO-BFYDXBDKSA-N 2 1 334.464 1.312 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000576729885 448128309 /nfs/dbraw/zinc/12/83/09/448128309.db2.gz GPAKTCHQOYNHTO-BFYDXBDKSA-N 2 1 334.464 1.312 20 0 EDADMP C[NH+](C)C/C=C/C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000491882284 448143485 /nfs/dbraw/zinc/14/34/85/448143485.db2.gz INHVDEKNHKQDQW-SZTZYQKNSA-N 2 1 336.505 1.271 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000571522994 448164779 /nfs/dbraw/zinc/16/47/79/448164779.db2.gz SHIIDDIVXVHKGJ-ABHNRTSZSA-N 2 1 336.524 1.582 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000571522994 448164785 /nfs/dbraw/zinc/16/47/85/448164785.db2.gz SHIIDDIVXVHKGJ-ABHNRTSZSA-N 2 1 336.524 1.582 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000571522994 448164791 /nfs/dbraw/zinc/16/47/91/448164791.db2.gz SHIIDDIVXVHKGJ-ABHNRTSZSA-N 2 1 336.524 1.582 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC000514925466 448226321 /nfs/dbraw/zinc/22/63/21/448226321.db2.gz WZGDELXFDQIXKJ-QGZVFWFLSA-N 2 1 344.459 1.661 20 0 EDADMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1ccc(Cl)cc1 ZINC000577178866 448226832 /nfs/dbraw/zinc/22/68/32/448226832.db2.gz POKPJNBOOJPAPV-INIZCTEOSA-N 2 1 342.867 1.516 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000532210070 448215740 /nfs/dbraw/zinc/21/57/40/448215740.db2.gz OCKFBOLZWJZHMY-GPMSIDNRSA-N 2 1 345.487 1.977 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)Nc3cccnc3)C2)CC1 ZINC000514902532 448221699 /nfs/dbraw/zinc/22/16/99/448221699.db2.gz ADJSBYJKOQIEII-QGZVFWFLSA-N 2 1 331.464 1.122 20 0 EDADMP CC[C@H](C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)[NH+](C)C ZINC000532495245 448266318 /nfs/dbraw/zinc/26/63/18/448266318.db2.gz ATUIZUSZQHRRKX-CABCVRRESA-N 2 1 338.521 1.493 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[N@H+]1C1CC1 ZINC000515504730 448323913 /nfs/dbraw/zinc/32/39/13/448323913.db2.gz DELDBAUTSSNORH-UNEWFSDZSA-N 2 1 337.533 1.945 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572118744 448292518 /nfs/dbraw/zinc/29/25/18/448292518.db2.gz LNIAAGDULLILQV-AITUJVMLSA-N 2 1 345.487 1.910 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572118744 448292524 /nfs/dbraw/zinc/29/25/24/448292524.db2.gz LNIAAGDULLILQV-AITUJVMLSA-N 2 1 345.487 1.910 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nnc(C)s3)CC2)CC1 ZINC000572140505 448300514 /nfs/dbraw/zinc/30/05/14/448300514.db2.gz MUCSAMUHCXTQLL-UHFFFAOYSA-N 2 1 337.493 1.981 20 0 EDADMP C[NH+](C)[C@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000582794954 448342710 /nfs/dbraw/zinc/34/27/10/448342710.db2.gz KBZDJYBSEMAYIO-GOEBONIOSA-N 2 1 325.840 1.126 20 0 EDADMP C[NH+](C)[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000582794954 448342716 /nfs/dbraw/zinc/34/27/16/448342716.db2.gz KBZDJYBSEMAYIO-GOEBONIOSA-N 2 1 325.840 1.126 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)C[NH+]1CCOCC1 ZINC000516024623 448370489 /nfs/dbraw/zinc/37/04/89/448370489.db2.gz XNRCJXKWQSBSOI-YJBOKZPZSA-N 2 1 346.475 1.141 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH2+]CC1 ZINC000582953926 448387047 /nfs/dbraw/zinc/38/70/47/448387047.db2.gz DYCKCEZNXNHWPV-YJBOKZPZSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NC[C@H]1Cc3ccccc3O1)CC[NH2+]CC2 ZINC000577857458 448405091 /nfs/dbraw/zinc/40/50/91/448405091.db2.gz IUHROKHDYIZQKG-NVXWUHKLSA-N 2 1 343.471 1.570 20 0 EDADMP Cc1c(CCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cnn1C ZINC000533921991 448429532 /nfs/dbraw/zinc/42/95/32/448429532.db2.gz DPTIRZRZAUGCNS-UHFFFAOYSA-N 2 1 342.447 1.447 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000566436477 448469376 /nfs/dbraw/zinc/46/93/76/448469376.db2.gz LCTHDWDOGGPPQZ-QGZVFWFLSA-N 2 1 336.524 1.347 20 0 EDADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000566436477 448469380 /nfs/dbraw/zinc/46/93/80/448469380.db2.gz LCTHDWDOGGPPQZ-QGZVFWFLSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000566610759 448518460 /nfs/dbraw/zinc/51/84/60/448518460.db2.gz XOUYQVCABCPHAH-NXHRZFHOSA-N 2 1 346.475 1.409 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000578502608 448562499 /nfs/dbraw/zinc/56/24/99/448562499.db2.gz WKIDKANGSSFWFT-INIZCTEOSA-N 2 1 348.495 1.223 20 0 EDADMP CNC(=O)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Cc1ccc(F)cc1C ZINC000566855554 448572575 /nfs/dbraw/zinc/57/25/75/448572575.db2.gz SFLNCHGYAUNFGD-UWWQBHOKSA-N 2 1 335.467 1.969 20 0 EDADMP Cc1[nH]nc2ncc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc12 ZINC000584485471 448544770 /nfs/dbraw/zinc/54/47/70/448544770.db2.gz CBXFNFGWAQZPAL-KBXCAEBGSA-N 2 1 342.491 1.724 20 0 EDADMP Cc1[nH]nc2ncc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc12 ZINC000584485471 448544776 /nfs/dbraw/zinc/54/47/76/448544776.db2.gz CBXFNFGWAQZPAL-KBXCAEBGSA-N 2 1 342.491 1.724 20 0 EDADMP CC[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573375244 448611739 /nfs/dbraw/zinc/61/17/39/448611739.db2.gz TUIUGMZTQWNWNJ-XWTMOSNGSA-N 2 1 331.460 1.520 20 0 EDADMP CC[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573375244 448611741 /nfs/dbraw/zinc/61/17/41/448611741.db2.gz TUIUGMZTQWNWNJ-XWTMOSNGSA-N 2 1 331.460 1.520 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000584730956 448614027 /nfs/dbraw/zinc/61/40/27/448614027.db2.gz CEWCTDPOZRCPHY-SJLPKXTDSA-N 2 1 332.492 1.943 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000578740384 448622655 /nfs/dbraw/zinc/62/26/55/448622655.db2.gz FGQHQOJGTGXYSW-MKXGPGLRSA-N 2 1 341.540 1.557 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000566923765 448588065 /nfs/dbraw/zinc/58/80/65/448588065.db2.gz JZRJYPQICQTJAD-HOCLYGCPSA-N 2 1 325.522 1.757 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000578608008 448590039 /nfs/dbraw/zinc/59/00/39/448590039.db2.gz YTIFBGACROTKBJ-ZNMIVQPWSA-N 2 1 326.485 1.173 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000578608008 448590045 /nfs/dbraw/zinc/59/00/45/448590045.db2.gz YTIFBGACROTKBJ-ZNMIVQPWSA-N 2 1 326.485 1.173 20 0 EDADMP C[C@H](CNC(=O)NC(C)(C)CN1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000566960711 448591712 /nfs/dbraw/zinc/59/17/12/448591712.db2.gz UODOTEXHTQPYJC-HZPDHXFCSA-N 2 1 340.512 1.659 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000573548824 448654600 /nfs/dbraw/zinc/65/46/00/448654600.db2.gz HPUMFBWCRTWJTB-OKZBNKHCSA-N 2 1 330.476 1.916 20 0 EDADMP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000573681043 448687543 /nfs/dbraw/zinc/68/75/43/448687543.db2.gz OBQBLMYEIAAVFF-OAHLLOKOSA-N 2 1 346.479 1.121 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000567571525 448715680 /nfs/dbraw/zinc/71/56/80/448715680.db2.gz LPYZUNMUMCIGJG-KSSFIOAISA-N 2 1 328.460 1.657 20 0 EDADMP C[C@H](CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)n1ccnc1 ZINC000579117607 448720434 /nfs/dbraw/zinc/72/04/34/448720434.db2.gz NCEVVLNKABMADJ-APWZRJJASA-N 2 1 342.443 1.587 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000528996580 448731240 /nfs/dbraw/zinc/73/12/40/448731240.db2.gz YUFXLGGPFHXLLA-MRXNPFEDSA-N 2 1 348.495 1.973 20 0 EDADMP CO[C@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000567754387 448752503 /nfs/dbraw/zinc/75/25/03/448752503.db2.gz SENWWKDQALPQKX-LSDHHAIUSA-N 2 1 325.840 1.567 20 0 EDADMP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1C(F)(F)F ZINC000579253611 448755907 /nfs/dbraw/zinc/75/59/07/448755907.db2.gz YWMWSLZBAHKTLR-JSGCOSHPSA-N 2 1 327.350 1.758 20 0 EDADMP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1C(F)(F)F ZINC000579253611 448755913 /nfs/dbraw/zinc/75/59/13/448755913.db2.gz YWMWSLZBAHKTLR-JSGCOSHPSA-N 2 1 327.350 1.758 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC000519682347 448817419 /nfs/dbraw/zinc/81/74/19/448817419.db2.gz AKFBTRQFDLJKJK-UHFFFAOYSA-N 2 1 339.505 1.206 20 0 EDADMP O=C(NC[C@H]1CCCC[NH+]1CCO)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000519744908 448831622 /nfs/dbraw/zinc/83/16/22/448831622.db2.gz OVKSSERTRUQXER-MSOLQXFVSA-N 2 1 337.508 1.747 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CCC(C(=O)c2ccccc2)CC1 ZINC000519802855 448846284 /nfs/dbraw/zinc/84/62/84/448846284.db2.gz HFUNPAMFAHPIEZ-SFHVURJKSA-N 2 1 334.460 1.520 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529363459 448841289 /nfs/dbraw/zinc/84/12/89/448841289.db2.gz FLTGTFPTFDXWEN-DLBZAZTESA-N 2 1 349.523 1.083 20 0 EDADMP COc1ccc(COC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000519816274 448849909 /nfs/dbraw/zinc/84/99/09/448849909.db2.gz CPVLRWCMSBHPEI-WMZOPIPTSA-N 2 1 334.460 1.647 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493992 448861877 /nfs/dbraw/zinc/86/18/77/448861877.db2.gz YKQDSGXRERELLI-HRCADAONSA-N 2 1 338.496 1.568 20 0 EDADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000574569189 448904241 /nfs/dbraw/zinc/90/42/41/448904241.db2.gz KCTMQXSADLNDQB-RDTXWAMCSA-N 2 1 328.460 1.738 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)n1C ZINC000574590685 448910429 /nfs/dbraw/zinc/91/04/29/448910429.db2.gz KDTZDUNSJPAPNU-CQSZACIVSA-N 2 1 334.468 1.302 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)n1C ZINC000574590685 448910438 /nfs/dbraw/zinc/91/04/38/448910438.db2.gz KDTZDUNSJPAPNU-CQSZACIVSA-N 2 1 334.468 1.302 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000588816559 448933870 /nfs/dbraw/zinc/93/38/70/448933870.db2.gz YXBSLEYOYIJLBQ-GJZGRUSLSA-N 2 1 331.501 1.706 20 0 EDADMP CCOc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000579827678 448887420 /nfs/dbraw/zinc/88/74/20/448887420.db2.gz UARWOIVUWDMMAI-NVXWUHKLSA-N 2 1 334.460 1.899 20 0 EDADMP CCC[N@H+](C)CC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000592826136 449006873 /nfs/dbraw/zinc/00/68/73/449006873.db2.gz GFLMTZCBFQMIMZ-HNNXBMFYSA-N 2 1 338.521 1.495 20 0 EDADMP CCC[N@@H+](C)CC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000592826136 449006876 /nfs/dbraw/zinc/00/68/76/449006876.db2.gz GFLMTZCBFQMIMZ-HNNXBMFYSA-N 2 1 338.521 1.495 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000582171039 449027536 /nfs/dbraw/zinc/02/75/36/449027536.db2.gz BVXGLRSZZVDOBI-HZPDHXFCSA-N 2 1 326.485 1.256 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)C1 ZINC000575359848 449084206 /nfs/dbraw/zinc/08/42/06/449084206.db2.gz KVIDYUAYFBNEKG-NVXWUHKLSA-N 2 1 335.423 1.983 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592963747 449086205 /nfs/dbraw/zinc/08/62/05/449086205.db2.gz BQHNDUIPDUTXKD-AWEZNQCLSA-N 2 1 330.436 1.434 20 0 EDADMP COC(=O)[C@H]1C[C@@H]([N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000595857565 449210637 /nfs/dbraw/zinc/21/06/37/449210637.db2.gz ZXQQPUYBJKDFRY-BBWFWOEESA-N 2 1 347.459 1.289 20 0 EDADMP COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000595857565 449210643 /nfs/dbraw/zinc/21/06/43/449210643.db2.gz ZXQQPUYBJKDFRY-BBWFWOEESA-N 2 1 347.459 1.289 20 0 EDADMP COC(=O)CCCN1CCC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000600188234 449232785 /nfs/dbraw/zinc/23/27/85/449232785.db2.gz APXYVQNRWPNHKV-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP COC(=O)CCC[NH+]1CCC(NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000600188234 449232792 /nfs/dbraw/zinc/23/27/92/449232792.db2.gz APXYVQNRWPNHKV-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP COC(=O)CCC[NH+]1CCC(NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000600188234 449232798 /nfs/dbraw/zinc/23/27/98/449232798.db2.gz APXYVQNRWPNHKV-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1C ZINC000602010209 449273857 /nfs/dbraw/zinc/27/38/57/449273857.db2.gz DUTSPOHVIJBHBS-WMZOPIPTSA-N 2 1 349.475 1.669 20 0 EDADMP Cn1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)n1 ZINC000605593960 449404905 /nfs/dbraw/zinc/40/49/05/449404905.db2.gz XEFHMLHFSOLNDT-UHFFFAOYSA-N 2 1 341.459 1.536 20 0 EDADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000606358413 449454381 /nfs/dbraw/zinc/45/43/81/449454381.db2.gz FEIBDJJYBLDQHE-MRXNPFEDSA-N 2 1 332.448 2.000 20 0 EDADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000606358413 449454384 /nfs/dbraw/zinc/45/43/84/449454384.db2.gz FEIBDJJYBLDQHE-MRXNPFEDSA-N 2 1 332.448 2.000 20 0 EDADMP COC(=O)c1nc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)sc1C ZINC000596360499 449481793 /nfs/dbraw/zinc/48/17/93/449481793.db2.gz MKSXEGKXXYIOAL-NSHDSACASA-N 2 1 328.482 1.922 20 0 EDADMP COC(=O)c1nc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)sc1C ZINC000596360499 449481799 /nfs/dbraw/zinc/48/17/99/449481799.db2.gz MKSXEGKXXYIOAL-NSHDSACASA-N 2 1 328.482 1.922 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CO)C3CCC3)CC2)CC1 ZINC000617313192 449556760 /nfs/dbraw/zinc/55/67/60/449556760.db2.gz JDQSODNOCKOIOC-SFHVURJKSA-N 2 1 337.508 1.460 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CO)C3CCC3)CC2)CC1 ZINC000617313191 449556809 /nfs/dbraw/zinc/55/68/09/449556809.db2.gz JDQSODNOCKOIOC-GOSISDBHSA-N 2 1 337.508 1.460 20 0 EDADMP C[N@H+](CCO)Cc1cc(NC(=O)[C@H]2CC[NH+](C)C2)ccc1Cl ZINC000614384702 449588054 /nfs/dbraw/zinc/58/80/54/449588054.db2.gz LKMHNZUOULNZNE-LBPRGKRZSA-N 2 1 325.840 1.654 20 0 EDADMP C[N@@H+](CCO)Cc1cc(NC(=O)[C@H]2CC[NH+](C)C2)ccc1Cl ZINC000614384702 449588058 /nfs/dbraw/zinc/58/80/58/449588058.db2.gz LKMHNZUOULNZNE-LBPRGKRZSA-N 2 1 325.840 1.654 20 0 EDADMP C[NH+](CCO)Cc1cc(NC(=O)[C@H]2CC[N@H+](C)C2)ccc1Cl ZINC000614384702 449588061 /nfs/dbraw/zinc/58/80/61/449588061.db2.gz LKMHNZUOULNZNE-LBPRGKRZSA-N 2 1 325.840 1.654 20 0 EDADMP C[NH+](CCO)Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C2)ccc1Cl ZINC000614384702 449588067 /nfs/dbraw/zinc/58/80/67/449588067.db2.gz LKMHNZUOULNZNE-LBPRGKRZSA-N 2 1 325.840 1.654 20 0 EDADMP O[C@@]1(C[NH2+]C[C@H]2CNc3ccnn3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366815 449603986 /nfs/dbraw/zinc/60/39/86/449603986.db2.gz VULMDWYCDVLRHY-PKOBYXMFSA-N 2 1 341.459 1.151 20 0 EDADMP O[C@@]1(C[NH2+]C[C@H]2CNc3ccnn3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366815 449604002 /nfs/dbraw/zinc/60/40/02/449604002.db2.gz VULMDWYCDVLRHY-PKOBYXMFSA-N 2 1 341.459 1.151 20 0 EDADMP COC(=O)CCN1CCC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1=O ZINC000594661213 449615231 /nfs/dbraw/zinc/61/52/31/449615231.db2.gz RNQQXIHRQLHDTJ-CABCVRRESA-N 2 1 341.496 1.497 20 0 EDADMP CC(=O)NC1(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCCCC1 ZINC000617504944 449649803 /nfs/dbraw/zinc/64/98/03/449649803.db2.gz QHDHYRKWFHMCNJ-HNNXBMFYSA-N 2 1 340.512 1.214 20 0 EDADMP CC(=O)NC1(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCCCC1 ZINC000617504944 449649812 /nfs/dbraw/zinc/64/98/12/449649812.db2.gz QHDHYRKWFHMCNJ-HNNXBMFYSA-N 2 1 340.512 1.214 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CSc1nncs1 ZINC000617504796 449650209 /nfs/dbraw/zinc/65/02/09/449650209.db2.gz KOCUMTBOJQHDOO-NSHDSACASA-N 2 1 331.511 1.018 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CSc1nncs1 ZINC000617504796 449650214 /nfs/dbraw/zinc/65/02/14/449650214.db2.gz KOCUMTBOJQHDOO-NSHDSACASA-N 2 1 331.511 1.018 20 0 EDADMP COc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1F ZINC000617506521 449653767 /nfs/dbraw/zinc/65/37/67/449653767.db2.gz QNYQHELTQCISAN-ZDUSSCGKSA-N 2 1 325.428 1.836 20 0 EDADMP COc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1F ZINC000617506521 449653772 /nfs/dbraw/zinc/65/37/72/449653772.db2.gz QNYQHELTQCISAN-ZDUSSCGKSA-N 2 1 325.428 1.836 20 0 EDADMP CC(C)Oc1ncccc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617508001 449658370 /nfs/dbraw/zinc/65/83/70/449658370.db2.gz RJJZEQPWWJJNIJ-HNNXBMFYSA-N 2 1 336.480 1.871 20 0 EDADMP CC(C)Oc1ncccc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617508001 449658380 /nfs/dbraw/zinc/65/83/80/449658380.db2.gz RJJZEQPWWJJNIJ-HNNXBMFYSA-N 2 1 336.480 1.871 20 0 EDADMP CC[C@@H](C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[NH+](CC)CC ZINC000617700338 449745077 /nfs/dbraw/zinc/74/50/77/449745077.db2.gz CGLGBSHLEGWYPY-MOPGFXCFSA-N 2 1 347.503 1.990 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000617700782 449747354 /nfs/dbraw/zinc/74/73/54/449747354.db2.gz LDESQOWNSSJMEO-JTDSTZFVSA-N 2 1 345.487 1.742 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617700782 449747359 /nfs/dbraw/zinc/74/73/59/449747359.db2.gz LDESQOWNSSJMEO-JTDSTZFVSA-N 2 1 345.487 1.742 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617700782 449747363 /nfs/dbraw/zinc/74/73/63/449747363.db2.gz LDESQOWNSSJMEO-JTDSTZFVSA-N 2 1 345.487 1.742 20 0 EDADMP C[C@@H](CCNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)[NH+](C)C ZINC000617756196 449819601 /nfs/dbraw/zinc/81/96/01/449819601.db2.gz BQKYTIIDADNTHV-YJBOKZPZSA-N 2 1 333.476 1.641 20 0 EDADMP C[C@H](NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000612669740 449824406 /nfs/dbraw/zinc/82/44/06/449824406.db2.gz IADKHVDCMOTZFA-UHOSZYNNSA-N 2 1 345.487 1.701 20 0 EDADMP C[C@H](NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000612669740 449824411 /nfs/dbraw/zinc/82/44/11/449824411.db2.gz IADKHVDCMOTZFA-UHOSZYNNSA-N 2 1 345.487 1.701 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC1CC[NH+](CCO)CC1 ZINC000601323144 449832092 /nfs/dbraw/zinc/83/20/92/449832092.db2.gz SVZOMFIQKCINIP-GASCZTMLSA-N 2 1 326.485 1.005 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)c2cccc(CN3CCOCC3)c2)C1 ZINC000608615545 449888127 /nfs/dbraw/zinc/88/81/27/449888127.db2.gz URPGENKRQOMLAI-INIZCTEOSA-N 2 1 331.460 1.590 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000608629593 449890830 /nfs/dbraw/zinc/89/08/30/449890830.db2.gz OCNLSLHJYFGXFB-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612892219 449930634 /nfs/dbraw/zinc/93/06/34/449930634.db2.gz JVZFSNHZCXKADJ-AYBZRNKSSA-N 2 1 330.476 1.948 20 0 EDADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000617917440 449920245 /nfs/dbraw/zinc/92/02/45/449920245.db2.gz BWOKCNGDAWSQSX-INIZCTEOSA-N 2 1 345.491 1.963 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612964781 449960371 /nfs/dbraw/zinc/96/03/71/449960371.db2.gz TXKNDOVIWSKNBP-GOSISDBHSA-N 2 1 342.487 1.964 20 0 EDADMP CN(CCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C)c1cc[nH+]cc1 ZINC000615268337 450029840 /nfs/dbraw/zinc/02/98/40/450029840.db2.gz GWPINAJLHOQSCN-DLBZAZTESA-N 2 1 332.448 1.230 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618350799 450168312 /nfs/dbraw/zinc/16/83/12/450168312.db2.gz JPFBSLUBVRMXSZ-SFHVURJKSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618350799 450168319 /nfs/dbraw/zinc/16/83/19/450168319.db2.gz JPFBSLUBVRMXSZ-SFHVURJKSA-N 2 1 326.444 1.967 20 0 EDADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NCC(=O)OC ZINC000599660262 450135411 /nfs/dbraw/zinc/13/54/11/450135411.db2.gz LGXMMUSBGIORDW-AWEZNQCLSA-N 2 1 335.448 1.248 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000603586919 450329287 /nfs/dbraw/zinc/32/92/87/450329287.db2.gz BHPKZZZJHQCYGQ-MRXNPFEDSA-N 2 1 345.491 1.782 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NCCC[NH+](C)C)c2)CCO1 ZINC000619938611 450378617 /nfs/dbraw/zinc/37/86/17/450378617.db2.gz RZQQXUNGABMZIZ-MRXNPFEDSA-N 2 1 348.491 1.658 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NCCC[NH+](C)C)c2)CCO1 ZINC000619938611 450378622 /nfs/dbraw/zinc/37/86/22/450378622.db2.gz RZQQXUNGABMZIZ-MRXNPFEDSA-N 2 1 348.491 1.658 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000619971791 450387789 /nfs/dbraw/zinc/38/77/89/450387789.db2.gz YCLKTGBUEVNWDT-IAGOWNOFSA-N 2 1 335.492 1.478 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC[C@@H](O)C[NH+]2CCCC2)cc1F ZINC000620158879 450443809 /nfs/dbraw/zinc/44/38/09/450443809.db2.gz CSNLAWWEBGJMOC-MRXNPFEDSA-N 2 1 332.423 1.866 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623485990 450530123 /nfs/dbraw/zinc/53/01/23/450530123.db2.gz IKKSQTVRUZKXMK-INIZCTEOSA-N 2 1 345.553 1.899 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000620724150 450533955 /nfs/dbraw/zinc/53/39/55/450533955.db2.gz WSBKZHUABMZKCZ-QZTJIDSGSA-N 2 1 330.476 1.013 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000620724150 450533956 /nfs/dbraw/zinc/53/39/56/450533956.db2.gz WSBKZHUABMZKCZ-QZTJIDSGSA-N 2 1 330.476 1.013 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000620724150 450533957 /nfs/dbraw/zinc/53/39/57/450533957.db2.gz WSBKZHUABMZKCZ-QZTJIDSGSA-N 2 1 330.476 1.013 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000620724150 450533958 /nfs/dbraw/zinc/53/39/58/450533958.db2.gz WSBKZHUABMZKCZ-QZTJIDSGSA-N 2 1 330.476 1.013 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NCC[NH+](C)C2CC2)cc1 ZINC000623718741 450571434 /nfs/dbraw/zinc/57/14/34/450571434.db2.gz YMVBQTDPAMGCAK-KRWDZBQOSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)NCC[NH+](C)C2CC2)cc1 ZINC000623718741 450571436 /nfs/dbraw/zinc/57/14/36/450571436.db2.gz YMVBQTDPAMGCAK-KRWDZBQOSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000623718741 450571437 /nfs/dbraw/zinc/57/14/37/450571437.db2.gz YMVBQTDPAMGCAK-KRWDZBQOSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000623718741 450571439 /nfs/dbraw/zinc/57/14/39/450571439.db2.gz YMVBQTDPAMGCAK-KRWDZBQOSA-N 2 1 346.475 1.663 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCOCC2)CC1(C)C ZINC000623546590 450540730 /nfs/dbraw/zinc/54/07/30/450540730.db2.gz IOURXFWQRAKHJS-INIZCTEOSA-N 2 1 325.497 1.330 20 0 EDADMP CN1C2(CCC2)COC[C@]1(CO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623617069 450552034 /nfs/dbraw/zinc/55/20/34/450552034.db2.gz WGXADQFPHBYBSP-MAUKXSAKSA-N 2 1 325.497 1.065 20 0 EDADMP CCC(O)(CC)C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000626111565 450576951 /nfs/dbraw/zinc/57/69/51/450576951.db2.gz RFYTUCVDHOVGIV-QGZVFWFLSA-N 2 1 335.492 1.888 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000623890790 450626340 /nfs/dbraw/zinc/62/63/40/450626340.db2.gz WTAHZMRIPROUPK-RYQLBKOJSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000623890790 450626343 /nfs/dbraw/zinc/62/63/43/450626343.db2.gz WTAHZMRIPROUPK-RYQLBKOJSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000623890790 450626345 /nfs/dbraw/zinc/62/63/45/450626345.db2.gz WTAHZMRIPROUPK-RYQLBKOJSA-N 2 1 330.476 1.900 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627332497 450654385 /nfs/dbraw/zinc/65/43/85/450654385.db2.gz BHTOVMXJJBFLQS-HRCADAONSA-N 2 1 338.496 1.014 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C[NH2+]1 ZINC000627363220 450676503 /nfs/dbraw/zinc/67/65/03/450676503.db2.gz JBVPWTFBVBMXRT-OWCLPIDISA-N 2 1 338.496 1.014 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCc2[nH]cnc2C1 ZINC000627366418 450679368 /nfs/dbraw/zinc/67/93/68/450679368.db2.gz RBCSCJVHIAKZBK-OAHLLOKOSA-N 2 1 325.416 1.602 20 0 EDADMP [NH3+]C[C@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000629511465 450721722 /nfs/dbraw/zinc/72/17/22/450721722.db2.gz JERXVTCDLROJRH-QMTHXVAHSA-N 2 1 338.249 1.983 20 0 EDADMP [NH3+]C[C@H]1CC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000629511465 450721724 /nfs/dbraw/zinc/72/17/24/450721724.db2.gz JERXVTCDLROJRH-QMTHXVAHSA-N 2 1 338.249 1.983 20 0 EDADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624187388 450739154 /nfs/dbraw/zinc/73/91/54/450739154.db2.gz WVKWCXOOIBWENI-QAPCUYQASA-N 2 1 329.444 1.656 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000629568540 450741254 /nfs/dbraw/zinc/74/12/54/450741254.db2.gz LCSGYWAAIHDJIR-GDBMZVCRSA-N 2 1 335.448 1.183 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000629653461 450772658 /nfs/dbraw/zinc/77/26/58/450772658.db2.gz JELREWBWXFBGHT-KRWDZBQOSA-N 2 1 329.444 1.782 20 0 EDADMP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CN1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000621683097 450832110 /nfs/dbraw/zinc/83/21/10/450832110.db2.gz PUANSACPUIUYJF-UYAOXDASSA-N 2 1 342.487 1.144 20 0 EDADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000631830096 450801832 /nfs/dbraw/zinc/80/18/32/450801832.db2.gz JLKNJBBLCKLXAR-HOTGVXAUSA-N 2 1 333.480 1.568 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cncc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000621775137 450862433 /nfs/dbraw/zinc/86/24/33/450862433.db2.gz HFTXTCSFSCBMQA-CJNGLKHVSA-N 2 1 336.867 1.815 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](Cc2cncc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000621775137 450862438 /nfs/dbraw/zinc/86/24/38/450862438.db2.gz HFTXTCSFSCBMQA-CJNGLKHVSA-N 2 1 336.867 1.815 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000629912802 450881606 /nfs/dbraw/zinc/88/16/06/450881606.db2.gz NFGYUBFDXBUNQB-MSOLQXFVSA-N 2 1 331.460 1.081 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000629912802 450881613 /nfs/dbraw/zinc/88/16/13/450881613.db2.gz NFGYUBFDXBUNQB-MSOLQXFVSA-N 2 1 331.460 1.081 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000629912802 450881618 /nfs/dbraw/zinc/88/16/18/450881618.db2.gz NFGYUBFDXBUNQB-MSOLQXFVSA-N 2 1 331.460 1.081 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000629914242 450884249 /nfs/dbraw/zinc/88/42/49/450884249.db2.gz ZSMYQNGRYPTPLR-KRWDZBQOSA-N 2 1 326.400 1.044 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000631940172 450897702 /nfs/dbraw/zinc/89/77/02/450897702.db2.gz QRYBVRTZBCCPRO-CABCVRRESA-N 2 1 329.510 1.122 20 0 EDADMP C[NH+](C)CC1(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000635403289 450911989 /nfs/dbraw/zinc/91/19/89/450911989.db2.gz IGRSVHKHGZKEBA-UHFFFAOYSA-N 2 1 331.460 1.842 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000635442752 450945464 /nfs/dbraw/zinc/94/54/64/450945464.db2.gz BZHWZVTZSNOZPQ-INIZCTEOSA-N 2 1 334.464 1.720 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000635442752 450945467 /nfs/dbraw/zinc/94/54/67/450945467.db2.gz BZHWZVTZSNOZPQ-INIZCTEOSA-N 2 1 334.464 1.720 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000635457740 450958294 /nfs/dbraw/zinc/95/82/94/450958294.db2.gz JWQSPAKTBPGMMT-KRWDZBQOSA-N 3 1 345.491 1.052 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000635457740 450958298 /nfs/dbraw/zinc/95/82/98/450958298.db2.gz JWQSPAKTBPGMMT-KRWDZBQOSA-N 2 1 345.491 1.052 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000635457740 450958307 /nfs/dbraw/zinc/95/83/07/450958307.db2.gz JWQSPAKTBPGMMT-KRWDZBQOSA-N 2 1 345.491 1.052 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@H]1COCCN1C ZINC000624732305 450967685 /nfs/dbraw/zinc/96/76/85/450967685.db2.gz ORKAXDJFPZJIKP-HNNXBMFYSA-N 2 1 338.452 1.074 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CC[N@H+]1C ZINC000633694981 450989638 /nfs/dbraw/zinc/98/96/38/450989638.db2.gz WSRVBHWYAYTOBR-OKZBNKHCSA-N 2 1 346.475 1.129 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000632059568 451007905 /nfs/dbraw/zinc/00/79/05/451007905.db2.gz OULKFRSONMUDIL-HNNXBMFYSA-N 2 1 347.912 1.814 20 0 EDADMP C[N@@H+](CCCNC(=O)NCC1([NH3+])CCOCC1)C1CCCCC1 ZINC000626934937 451017778 /nfs/dbraw/zinc/01/77/78/451017778.db2.gz RUAKPEYDOVTOEP-UHFFFAOYSA-N 2 1 326.485 1.448 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000626948773 451027489 /nfs/dbraw/zinc/02/74/89/451027489.db2.gz ZHFNRUSYRGHJGG-XHSDSOJGSA-N 2 1 328.501 1.230 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)CC[C@H]21 ZINC000632111707 451043585 /nfs/dbraw/zinc/04/35/85/451043585.db2.gz BCOROYCAIXHUAD-HZPDHXFCSA-N 2 1 329.510 1.218 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000635561787 451060656 /nfs/dbraw/zinc/06/06/56/451060656.db2.gz HLBMBFOBRDHNFN-NEWSRXKRSA-N 2 1 343.471 1.583 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000635561787 451060658 /nfs/dbraw/zinc/06/06/58/451060658.db2.gz HLBMBFOBRDHNFN-NEWSRXKRSA-N 2 1 343.471 1.583 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000635561787 451060666 /nfs/dbraw/zinc/06/06/66/451060666.db2.gz HLBMBFOBRDHNFN-NEWSRXKRSA-N 2 1 343.471 1.583 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000635561787 451060670 /nfs/dbraw/zinc/06/06/70/451060670.db2.gz HLBMBFOBRDHNFN-NEWSRXKRSA-N 2 1 343.471 1.583 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000624943023 451072868 /nfs/dbraw/zinc/07/28/68/451072868.db2.gz KMSATOMHJGCJAU-IXDOHACOSA-N 2 1 340.512 1.564 20 0 EDADMP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000627009905 451073694 /nfs/dbraw/zinc/07/36/94/451073694.db2.gz LEASUZBUGRNVCZ-ZWKOTPCHSA-N 2 1 346.475 1.963 20 0 EDADMP [NH3+]CCCOCCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000627027396 451088430 /nfs/dbraw/zinc/08/84/30/451088430.db2.gz OWILIIARIHRHJN-MRXNPFEDSA-N 2 1 326.485 1.448 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000635597950 451093919 /nfs/dbraw/zinc/09/39/19/451093919.db2.gz AJMZGBPJDIXGFI-YTQUADARSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000635597950 451093923 /nfs/dbraw/zinc/09/39/23/451093923.db2.gz AJMZGBPJDIXGFI-YTQUADARSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000635597950 451093927 /nfs/dbraw/zinc/09/39/27/451093927.db2.gz AJMZGBPJDIXGFI-YTQUADARSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000635597950 451093931 /nfs/dbraw/zinc/09/39/31/451093931.db2.gz AJMZGBPJDIXGFI-YTQUADARSA-N 2 1 345.487 1.734 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000635616697 451108522 /nfs/dbraw/zinc/10/85/22/451108522.db2.gz UQXVKJQLBNTJST-ALOPSCKCSA-N 2 1 341.496 1.103 20 0 EDADMP COCCOCC[NH+](C)CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000635616697 451108525 /nfs/dbraw/zinc/10/85/25/451108525.db2.gz UQXVKJQLBNTJST-ALOPSCKCSA-N 2 1 341.496 1.103 20 0 EDADMP COCCOCC[NH+](C)CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000635616697 451108527 /nfs/dbraw/zinc/10/85/27/451108527.db2.gz UQXVKJQLBNTJST-ALOPSCKCSA-N 2 1 341.496 1.103 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627111999 451129367 /nfs/dbraw/zinc/12/93/67/451129367.db2.gz XTQOICXXZVBEPF-XHHISWJOSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627111999 451129370 /nfs/dbraw/zinc/12/93/70/451129370.db2.gz XTQOICXXZVBEPF-XHHISWJOSA-N 2 1 338.496 1.125 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000627171658 451162085 /nfs/dbraw/zinc/16/20/85/451162085.db2.gz FZCODDFNOQPLSR-QGZVFWFLSA-N 2 1 348.491 1.386 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NCCOCCC[NH3+])CC2)c1 ZINC000627209925 451188433 /nfs/dbraw/zinc/18/84/33/451188433.db2.gz YIVBZAFJYCSKIJ-UHFFFAOYSA-N 2 1 334.464 1.188 20 0 EDADMP C[NH+](C)CCOc1ccc(C[NH+]2CCN(c3nccnn3)CC2)cc1 ZINC000628386825 451240474 /nfs/dbraw/zinc/24/04/74/451240474.db2.gz HBOIPUHXVALWHJ-UHFFFAOYSA-N 2 1 342.447 1.134 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000638084590 451247859 /nfs/dbraw/zinc/24/78/59/451247859.db2.gz FMPMEVZPVAZSAO-WSTZPKSXSA-N 2 1 345.487 1.434 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638085874 451251415 /nfs/dbraw/zinc/25/14/15/451251415.db2.gz UPKJJYHGFKCDSN-KRWDZBQOSA-N 3 1 346.519 1.826 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccc4c(c3)OCO4)nn2)CC1 ZINC000630588709 451264535 /nfs/dbraw/zinc/26/45/35/451264535.db2.gz JHSCNOHIGJUPPS-UHFFFAOYSA-N 2 1 329.404 1.021 20 0 EDADMP COC[C@@H]([NH3+])Cc1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000630595587 451268891 /nfs/dbraw/zinc/26/88/91/451268891.db2.gz HFIKVNDSYDOGMK-IRXDYDNUSA-N 2 1 329.448 1.316 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)CCC2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000638102601 451269152 /nfs/dbraw/zinc/26/91/52/451269152.db2.gz VXEJZXJMHKZJBC-UHFFFAOYSA-N 2 1 344.503 1.262 20 0 EDADMP [NH3+][C@H](c1cn(C[C@@H]2C[NH2+]CCO2)nn1)c1ccc(Cl)cc1F ZINC000630616105 451278591 /nfs/dbraw/zinc/27/85/91/451278591.db2.gz FYRGPYMGVKPVGL-HZMBPMFUSA-N 2 1 325.775 1.107 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638125683 451294821 /nfs/dbraw/zinc/29/48/21/451294821.db2.gz GIAPTFXOAHFYCL-MOPGFXCFSA-N 2 1 346.519 1.779 20 0 EDADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638125683 451294825 /nfs/dbraw/zinc/29/48/25/451294825.db2.gz GIAPTFXOAHFYCL-MOPGFXCFSA-N 2 1 346.519 1.779 20 0 EDADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638125683 451294829 /nfs/dbraw/zinc/29/48/29/451294829.db2.gz GIAPTFXOAHFYCL-MOPGFXCFSA-N 2 1 346.519 1.779 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638135762 451308821 /nfs/dbraw/zinc/30/88/21/451308821.db2.gz VEGKQBXGBVWHDV-QUCCMNQESA-N 2 1 345.487 1.736 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C3=CC[C@H]([NH3+])C3)cc2)CC1 ZINC000638136876 451311482 /nfs/dbraw/zinc/31/14/82/451311482.db2.gz OKPOYQMRRYKKPQ-IBGZPJMESA-N 2 1 342.487 1.488 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638141999 451315986 /nfs/dbraw/zinc/31/59/86/451315986.db2.gz ADOVBXIXFQVCQS-HHXXYDBFSA-N 2 1 331.460 1.236 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000635882374 451328253 /nfs/dbraw/zinc/32/82/53/451328253.db2.gz MKZLYYYZDMCMFC-UHFFFAOYSA-N 2 1 343.431 1.759 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638201574 451352463 /nfs/dbraw/zinc/35/24/63/451352463.db2.gz DAKYRJBORPMPGD-AEFFLSMTSA-N 3 1 344.503 1.484 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000638211430 451357317 /nfs/dbraw/zinc/35/73/17/451357317.db2.gz RIPKUQGHXHQYAP-SJLPKXTDSA-N 3 1 344.503 1.627 20 0 EDADMP C[C@H](C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)[NH+]1CCCCCC1 ZINC000640518379 451369039 /nfs/dbraw/zinc/36/90/39/451369039.db2.gz IQRXUFAQOBNDSG-ZACQAIPSSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+](C)Cc1ccc(C(N)=O)cc1NCC(C)(C)[NH+]1CCOCC1 ZINC000638259112 451384316 /nfs/dbraw/zinc/38/43/16/451384316.db2.gz QZOJRQDCRCMIDG-UHFFFAOYSA-N 2 1 334.464 1.370 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000638274265 451394082 /nfs/dbraw/zinc/39/40/82/451394082.db2.gz DTTADUVHGRDKNV-MSOLQXFVSA-N 2 1 331.460 1.270 20 0 EDADMP C[C@@H]1C[C@H](C)N(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000638357452 451457915 /nfs/dbraw/zinc/45/79/15/451457915.db2.gz MHQWFNXZONWNHM-ATLSCFEFSA-N 2 1 332.492 1.278 20 0 EDADMP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000638357452 451457923 /nfs/dbraw/zinc/45/79/23/451457923.db2.gz MHQWFNXZONWNHM-ATLSCFEFSA-N 2 1 332.492 1.278 20 0 EDADMP [NH3+][C@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000638358929 451458370 /nfs/dbraw/zinc/45/83/70/451458370.db2.gz QSGZWTKWLLNKPP-DLBZAZTESA-N 2 1 332.448 1.193 20 0 EDADMP CCn1ncc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1C ZINC000630880957 451458627 /nfs/dbraw/zinc/45/86/27/451458627.db2.gz XECOGJHDMLLWAE-INIZCTEOSA-N 2 1 335.496 1.700 20 0 EDADMP C[NH+](C)[C@]1(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCSC1 ZINC000634706878 451484063 /nfs/dbraw/zinc/48/40/63/451484063.db2.gz WFJGAFHZLJVGLD-OALUTQOASA-N 2 1 349.544 1.650 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638395867 451484516 /nfs/dbraw/zinc/48/45/16/451484516.db2.gz ZDRNYXZIDAFWML-BSXFFOKHSA-N 2 1 349.475 1.179 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638395867 451484524 /nfs/dbraw/zinc/48/45/24/451484524.db2.gz ZDRNYXZIDAFWML-BSXFFOKHSA-N 2 1 349.475 1.179 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638398527 451488580 /nfs/dbraw/zinc/48/85/80/451488580.db2.gz UXVROOWBBOAXLO-SJLPKXTDSA-N 3 1 344.503 1.708 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000636764491 451489140 /nfs/dbraw/zinc/48/91/40/451489140.db2.gz IEDRHWLWHQQVHG-HZPDHXFCSA-N 2 1 340.512 1.253 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000636764491 451489143 /nfs/dbraw/zinc/48/91/43/451489143.db2.gz IEDRHWLWHQQVHG-HZPDHXFCSA-N 2 1 340.512 1.253 20 0 EDADMP CN(C)c1cc(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc[nH+]1 ZINC000640601539 451447230 /nfs/dbraw/zinc/44/72/30/451447230.db2.gz HTRGZMABSDOVIT-UHFFFAOYSA-N 2 1 343.435 2.255 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000634724053 451504628 /nfs/dbraw/zinc/50/46/28/451504628.db2.gz IUATYCKMSXCCBC-YZGWKJHDSA-N 3 1 331.504 1.801 20 0 EDADMP C[C@@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000634744796 451522543 /nfs/dbraw/zinc/52/25/43/451522543.db2.gz LHSFKLKXLNWJJB-RYGJVYDSSA-N 2 1 327.472 1.891 20 0 EDADMP C[C@@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000634744796 451522547 /nfs/dbraw/zinc/52/25/47/451522547.db2.gz LHSFKLKXLNWJJB-RYGJVYDSSA-N 2 1 327.472 1.891 20 0 EDADMP [NH3+]C1(CC(=O)N2C[C@@H]3COC[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000634773792 451539355 /nfs/dbraw/zinc/53/93/55/451539355.db2.gz QQKQNHJNOZBSIU-HDICACEKSA-N 2 1 343.471 1.475 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631043633 451550124 /nfs/dbraw/zinc/55/01/24/451550124.db2.gz ZNOLFAUOKFSRHE-SJORKVTESA-N 2 1 335.496 1.916 20 0 EDADMP [NH3+][C@@H](C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1Br ZINC000638508416 451551502 /nfs/dbraw/zinc/55/15/02/451551502.db2.gz PAWUIPAELKQJMT-CHWSQXEVSA-N 2 1 338.249 1.850 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632859495 451618352 /nfs/dbraw/zinc/61/83/52/451618352.db2.gz UJSZKYGJQNVNCV-QYZOEREBSA-N 2 1 343.471 1.488 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632859495 451618355 /nfs/dbraw/zinc/61/83/55/451618355.db2.gz UJSZKYGJQNVNCV-QYZOEREBSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632920648 451652008 /nfs/dbraw/zinc/65/20/08/451652008.db2.gz BKHMKRFUNAYWCA-GJZGRUSLSA-N 2 1 332.473 1.813 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000640949223 451699972 /nfs/dbraw/zinc/69/99/72/451699972.db2.gz PVWKHJKHXPGJDO-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000638836132 451705705 /nfs/dbraw/zinc/70/57/05/451705705.db2.gz QFMFRDSWLRZVCE-BPQIPLTHSA-N 2 1 347.528 1.966 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852684 451711336 /nfs/dbraw/zinc/71/13/36/451711336.db2.gz ZSPFWXSQHGPSAJ-FHWLQOOXSA-N 2 1 345.487 1.911 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000636473576 451726669 /nfs/dbraw/zinc/72/66/69/451726669.db2.gz CQKVHGKDFGRJDM-ZWKOTPCHSA-N 2 1 348.491 1.435 20 0 EDADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000637138556 451738666 /nfs/dbraw/zinc/73/86/66/451738666.db2.gz QLGAKEUYQLRYTD-SOLBZPMBSA-N 2 1 348.491 1.352 20 0 EDADMP CC[NH+](CC)Cc1cn(CC(=O)NC2CC[NH+](C(C)C)CC2)nn1 ZINC000641047252 451741147 /nfs/dbraw/zinc/74/11/47/451741147.db2.gz JCAUPILSGGRNAY-UHFFFAOYSA-N 2 1 336.484 1.109 20 0 EDADMP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC[NH2+]C1 ZINC000639003473 451751457 /nfs/dbraw/zinc/75/14/57/451751457.db2.gz ALKDSYDQLWQKAG-MJGOQNOKSA-N 2 1 331.460 1.312 20 0 EDADMP C[C@@H](CC[NH2+]Cc1ccc(S(N)(=O)=O)cc1)[NH+]1CCCCC1 ZINC000639038119 451755746 /nfs/dbraw/zinc/75/57/46/451755746.db2.gz PDIJZUNNXMNXIY-AWEZNQCLSA-N 2 1 325.478 1.688 20 0 EDADMP Cn1c[nH+]cc1CCCn1cc(COc2ccccc2C[NH3+])nn1 ZINC000641178070 451770860 /nfs/dbraw/zinc/77/08/60/451770860.db2.gz PEZOWQUBFPIPHY-UHFFFAOYSA-N 2 1 326.404 1.682 20 0 EDADMP Cc1[nH+]ccn1CCCNS(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000641287827 451811951 /nfs/dbraw/zinc/81/19/51/451811951.db2.gz SOZKSEIMMKGEKA-UHFFFAOYSA-N 2 1 348.472 1.548 20 0 EDADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000639308081 451818251 /nfs/dbraw/zinc/81/82/51/451818251.db2.gz LEBMMUZLGRXUOE-MNEFBYGVSA-N 2 1 345.487 1.790 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000644532423 451846258 /nfs/dbraw/zinc/84/62/58/451846258.db2.gz IMSBZEBLSQMHRG-JKSUJKDBSA-N 2 1 345.409 1.706 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000644532423 451846263 /nfs/dbraw/zinc/84/62/63/451846263.db2.gz IMSBZEBLSQMHRG-JKSUJKDBSA-N 2 1 345.409 1.706 20 0 EDADMP CC(=O)N1CCC(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644547759 451855327 /nfs/dbraw/zinc/85/53/27/451855327.db2.gz OXYOUCCZUIDFAS-LJQANCHMSA-N 2 1 333.476 1.327 20 0 EDADMP CC(=O)N1CCC(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644547759 451855335 /nfs/dbraw/zinc/85/53/35/451855335.db2.gz OXYOUCCZUIDFAS-LJQANCHMSA-N 2 1 333.476 1.327 20 0 EDADMP CCNC(=O)C1(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CCC1 ZINC000644632132 451907159 /nfs/dbraw/zinc/90/71/59/451907159.db2.gz VXRVIRYMNYLPGR-KRWDZBQOSA-N 2 1 333.476 1.375 20 0 EDADMP CCNC(=O)C1(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CCC1 ZINC000644632132 451907163 /nfs/dbraw/zinc/90/71/63/451907163.db2.gz VXRVIRYMNYLPGR-KRWDZBQOSA-N 2 1 333.476 1.375 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCN3CCc4ccccc43)CC2)C1 ZINC000644675992 451933304 /nfs/dbraw/zinc/93/33/04/451933304.db2.gz KJTKGKULYCRJRK-IBGZPJMESA-N 2 1 328.504 1.761 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)[C@H]2C1 ZINC000646916771 451935591 /nfs/dbraw/zinc/93/55/91/451935591.db2.gz QGBIVKCCYYYPEC-MJGOQNOKSA-N 2 1 342.487 1.361 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000644734459 451961610 /nfs/dbraw/zinc/96/16/10/451961610.db2.gz PYVYYJIFONXPAH-KSZLIROESA-N 2 1 330.476 1.041 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@]1(N)CC[NH+](C)C1 ZINC000649288580 451963243 /nfs/dbraw/zinc/96/32/43/451963243.db2.gz ZKJZMKMAMSSEPN-OXQOHEQNSA-N 2 1 344.503 1.710 20 0 EDADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@@]1(N)CC[N@H+](C)C1 ZINC000649288580 451963247 /nfs/dbraw/zinc/96/32/47/451963247.db2.gz ZKJZMKMAMSSEPN-OXQOHEQNSA-N 2 1 344.503 1.710 20 0 EDADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@@]1(N)CC[N@@H+](C)C1 ZINC000649288580 451963253 /nfs/dbraw/zinc/96/32/53/451963253.db2.gz ZKJZMKMAMSSEPN-OXQOHEQNSA-N 2 1 344.503 1.710 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1conc1C ZINC000637618674 451975786 /nfs/dbraw/zinc/97/57/86/451975786.db2.gz ALWPZBDAZVNIHN-INIZCTEOSA-N 2 1 337.468 1.541 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000649299302 451977191 /nfs/dbraw/zinc/97/71/91/451977191.db2.gz GTTCVWZLIIVFOI-LSDHHAIUSA-N 2 1 330.432 1.073 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000649299302 451977194 /nfs/dbraw/zinc/97/71/94/451977194.db2.gz GTTCVWZLIIVFOI-LSDHHAIUSA-N 2 1 330.432 1.073 20 0 EDADMP Cc1ccc([C@H](CNC(=O)[C@@]2(N)CC[N@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000649310091 451988675 /nfs/dbraw/zinc/98/86/75/451988675.db2.gz OXVWPSHGTNHNSL-PKOBYXMFSA-N 2 1 330.476 1.281 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649327666 452008392 /nfs/dbraw/zinc/00/83/92/452008392.db2.gz DKEWHORSUFAYMM-CHWSQXEVSA-N 2 1 326.391 1.854 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[C@H]3C[NH3+])CC2)oc1C ZINC000649331579 452013396 /nfs/dbraw/zinc/01/33/96/452013396.db2.gz DJRWGNOBWXXAKY-IRXDYDNUSA-N 2 1 348.491 1.995 20 0 EDADMP COC[C@]1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000649335480 452016643 /nfs/dbraw/zinc/01/66/43/452016643.db2.gz FIBNWAIDXAKQHS-MJGOQNOKSA-N 2 1 331.460 1.536 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2)CC1 ZINC000649350526 452032770 /nfs/dbraw/zinc/03/27/70/452032770.db2.gz LQMCGBRIOYCVMC-UHFFFAOYSA-N 2 1 346.519 1.958 20 0 EDADMP Fc1cccc(-n2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000643072460 452033434 /nfs/dbraw/zinc/03/34/34/452033434.db2.gz FUTUZROSSOCIFO-GOSISDBHSA-N 2 1 329.423 1.491 20 0 EDADMP Fc1cccc(-n2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000643072460 452033440 /nfs/dbraw/zinc/03/34/40/452033440.db2.gz FUTUZROSSOCIFO-GOSISDBHSA-N 2 1 329.423 1.491 20 0 EDADMP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000649351109 452036194 /nfs/dbraw/zinc/03/61/94/452036194.db2.gz OOCQVNVRRAZUPP-SJLPKXTDSA-N 2 1 330.476 1.300 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000649352662 452037053 /nfs/dbraw/zinc/03/70/53/452037053.db2.gz CLUUWNWRSSPNRK-PKOBYXMFSA-N 2 1 344.503 1.642 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000649370252 452047600 /nfs/dbraw/zinc/04/76/00/452047600.db2.gz IVHFLUYOMLSLKJ-TWMKSMIVSA-N 2 1 337.508 1.911 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000649370252 452047605 /nfs/dbraw/zinc/04/76/05/452047605.db2.gz IVHFLUYOMLSLKJ-TWMKSMIVSA-N 2 1 337.508 1.911 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)CC1 ZINC000639712860 452054343 /nfs/dbraw/zinc/05/43/43/452054343.db2.gz CYTPTTFMMJCQMO-HNNXBMFYSA-N 2 1 349.479 1.093 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000649412065 452076144 /nfs/dbraw/zinc/07/61/44/452076144.db2.gz HCNYNRSHQPAJEF-UFYCRDLUSA-N 2 1 347.503 1.104 20 0 EDADMP COc1ccc(COC[C@@H](O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639760001 452097977 /nfs/dbraw/zinc/09/79/77/452097977.db2.gz PNHDYHYKPAFMFV-SFHVURJKSA-N 2 1 348.487 1.990 20 0 EDADMP COc1cccc(NC(=O)CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639760299 452098619 /nfs/dbraw/zinc/09/86/19/452098619.db2.gz DTJUMLAXZWZAIN-SFHVURJKSA-N 2 1 335.448 1.412 20 0 EDADMP COc1cccc(NC(=O)CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639760299 452098622 /nfs/dbraw/zinc/09/86/22/452098622.db2.gz DTJUMLAXZWZAIN-SFHVURJKSA-N 2 1 335.448 1.412 20 0 EDADMP C[N@@H+](CCN1CCN(C[C@H]2CCC[NH+]2C)CC1)Cc1ccccc1 ZINC000649524629 452124713 /nfs/dbraw/zinc/12/47/13/452124713.db2.gz PYZNFBFSEXUKKS-HXUWFJFHSA-N 2 1 330.520 1.830 20 0 EDADMP C[NH+](CCN1CCN(C[C@H]2CCC[N@@H+]2C)CC1)Cc1ccccc1 ZINC000649524629 452124717 /nfs/dbraw/zinc/12/47/17/452124717.db2.gz PYZNFBFSEXUKKS-HXUWFJFHSA-N 2 1 330.520 1.830 20 0 EDADMP C[NH+](CCN1CCN(C[C@H]2CCC[N@H+]2C)CC1)Cc1ccccc1 ZINC000649524629 452124723 /nfs/dbraw/zinc/12/47/23/452124723.db2.gz PYZNFBFSEXUKKS-HXUWFJFHSA-N 2 1 330.520 1.830 20 0 EDADMP c1cnc2c(c1)CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000643346206 452143225 /nfs/dbraw/zinc/14/32/25/452143225.db2.gz LZODZHHKYMEOOA-MOPGFXCFSA-N 2 1 344.503 1.325 20 0 EDADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000649558358 452144498 /nfs/dbraw/zinc/14/44/98/452144498.db2.gz LDCBWDPEEOVIEF-UHFFFAOYSA-N 2 1 333.480 1.109 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000643373680 452159590 /nfs/dbraw/zinc/15/95/90/452159590.db2.gz KCRMOCZMIGPOLF-BHIYHBOVSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000643373680 452159596 /nfs/dbraw/zinc/15/95/96/452159596.db2.gz KCRMOCZMIGPOLF-BHIYHBOVSA-N 2 1 345.487 1.612 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cn3cccc(F)c3n2)C1)N1CC[NH2+]CC1 ZINC000647486427 452230463 /nfs/dbraw/zinc/23/04/63/452230463.db2.gz OGWAFQJZLFOGFQ-AWEZNQCLSA-N 2 1 345.422 1.117 20 0 EDADMP O=C([C@H]1CCC[N@H+](Cc2cn3cccc(F)c3n2)C1)N1CC[NH2+]CC1 ZINC000647486427 452230466 /nfs/dbraw/zinc/23/04/66/452230466.db2.gz OGWAFQJZLFOGFQ-AWEZNQCLSA-N 2 1 345.422 1.117 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2(COC)CC[NH2+]CC2)[C@H](C)C1 ZINC000641757941 452239591 /nfs/dbraw/zinc/23/95/91/452239591.db2.gz MOJHMFDMZTXZFF-CVEARBPZSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000643479498 452244041 /nfs/dbraw/zinc/24/40/41/452244041.db2.gz IVEJFWFPVPUCIH-KCXAZCMYSA-N 2 1 329.423 1.987 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654104757 452247809 /nfs/dbraw/zinc/24/78/09/452247809.db2.gz VLAKOVXJRRPGIY-LSDHHAIUSA-N 2 1 334.468 1.583 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNCc2ccncc2N)C1 ZINC000641775026 452248043 /nfs/dbraw/zinc/24/80/43/452248043.db2.gz STOZTXVXLZCFJW-GOSISDBHSA-N 2 1 325.460 1.570 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000659431173 452276060 /nfs/dbraw/zinc/27/60/60/452276060.db2.gz JERPEKXHEZOWLE-BZUAXINKSA-N 2 1 344.475 1.204 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)N2CCN(c3ccccc3F)CC2)C[C@@H]1[NH3+] ZINC000641803619 452280625 /nfs/dbraw/zinc/28/06/25/452280625.db2.gz UNVLJHGDQBLZSE-JKSUJKDBSA-N 2 1 334.439 1.190 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCCOc1cccc(Cl)c1 ZINC000641804574 452282738 /nfs/dbraw/zinc/28/27/38/452282738.db2.gz KOYSMLSPCJGLDU-KGLIPLIRSA-N 2 1 325.840 1.550 20 0 EDADMP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+]2CCC[C@H](C)[C@@H]2CCO)[C@@H]1CCO ZINC000661490347 452292461 /nfs/dbraw/zinc/29/24/61/452292461.db2.gz FAYCCTPKYYQAQF-BSHDOZJQSA-N 2 1 342.524 1.313 20 0 EDADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCC[C@H](C)[C@@H]2CCO)[C@@H]1CCO ZINC000661490347 452292476 /nfs/dbraw/zinc/29/24/76/452292476.db2.gz FAYCCTPKYYQAQF-BSHDOZJQSA-N 2 1 342.524 1.313 20 0 EDADMP C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCC[C@H](C)[C@@H]2CCO)[C@@H]1CCO ZINC000661490347 452292485 /nfs/dbraw/zinc/29/24/85/452292485.db2.gz FAYCCTPKYYQAQF-BSHDOZJQSA-N 2 1 342.524 1.313 20 0 EDADMP C[C@H](NC(=O)N(C)CCCC[NH+]1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000641815749 452297916 /nfs/dbraw/zinc/29/79/16/452297916.db2.gz HYJFGWNAXUKDEL-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H](NC(=O)N(C)CCCC[NH+]1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000641815749 452297923 /nfs/dbraw/zinc/29/79/23/452297923.db2.gz HYJFGWNAXUKDEL-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000659454662 452305854 /nfs/dbraw/zinc/30/58/54/452305854.db2.gz LLNUTGZXCOCFNO-HFCFLWKCSA-N 2 1 328.460 1.784 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC[C@H]1F ZINC000659454541 452305896 /nfs/dbraw/zinc/30/58/96/452305896.db2.gz INFANPVIEOAPQW-BRWVUGGUSA-N 2 1 334.439 1.732 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659458131 452310937 /nfs/dbraw/zinc/31/09/37/452310937.db2.gz PKXVKTXZTFGFSV-MSOLQXFVSA-N 2 1 334.508 1.892 20 0 EDADMP C[NH+]1CCC(CNC(=O)N2CC3CC2(C[NH3+])C3)(N2CCCCC2)CC1 ZINC000659461808 452314369 /nfs/dbraw/zinc/31/43/69/452314369.db2.gz OUMDMQRXDMCSLY-UHFFFAOYSA-N 2 1 349.523 1.069 20 0 EDADMP CCCN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645343910 452321698 /nfs/dbraw/zinc/32/16/98/452321698.db2.gz SCJSPQIELZOBJR-ZBFHGGJFSA-N 2 1 328.526 1.549 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000659468494 452326576 /nfs/dbraw/zinc/32/65/76/452326576.db2.gz BFTXNCTYYCYLKH-WAZRQNRBSA-N 2 1 328.460 1.701 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000638052045 452327847 /nfs/dbraw/zinc/32/78/47/452327847.db2.gz VUCUCTTVPJENMF-XGWLTEMNSA-N 2 1 339.867 1.826 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000659478684 452338867 /nfs/dbraw/zinc/33/88/67/452338867.db2.gz DBNCOSGHYJOUCL-WMHQRMGPSA-N 2 1 326.460 1.720 20 0 EDADMP CCO[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C[NH3+] ZINC000652147317 452339558 /nfs/dbraw/zinc/33/95/58/452339558.db2.gz QKTQBCDFBJXEKA-BZUAXINKSA-N 2 1 326.485 1.112 20 0 EDADMP CCOC[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665763524 452343987 /nfs/dbraw/zinc/34/39/87/452343987.db2.gz DJLAHSZRCSPCPB-IRXDYDNUSA-N 2 1 342.528 1.859 20 0 EDADMP CCOC[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665763524 452343996 /nfs/dbraw/zinc/34/39/96/452343996.db2.gz DJLAHSZRCSPCPB-IRXDYDNUSA-N 2 1 342.528 1.859 20 0 EDADMP CC[C@H]1[C@@H](CO)CCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665764268 452347558 /nfs/dbraw/zinc/34/75/58/452347558.db2.gz ZSZZKRLYKVYVHK-XHSDSOJGSA-N 2 1 328.501 1.061 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638063542 452361911 /nfs/dbraw/zinc/36/19/11/452361911.db2.gz VLFASDSTODBZRJ-FQEVSTJZSA-N 2 1 345.487 1.785 20 0 EDADMP COc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000657597296 452365275 /nfs/dbraw/zinc/36/52/75/452365275.db2.gz SNHDETAAOFUZOO-GOSISDBHSA-N 2 1 327.428 1.947 20 0 EDADMP NC(=O)c1csc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657596611 452365723 /nfs/dbraw/zinc/36/57/23/452365723.db2.gz XSUIHUZAECLYOT-INIZCTEOSA-N 2 1 345.468 1.703 20 0 EDADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2)C1 ZINC000657597309 452366112 /nfs/dbraw/zinc/36/61/12/452366112.db2.gz SZNKOXQCTQTBTG-SFHVURJKSA-N 2 1 326.444 1.686 20 0 EDADMP CC1CC[NH+](CCNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638070597 452376710 /nfs/dbraw/zinc/37/67/10/452376710.db2.gz SDKDQLAWNOEXSC-GOSISDBHSA-N 2 1 332.492 1.294 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000638073176 452384139 /nfs/dbraw/zinc/38/41/39/452384139.db2.gz CGMUKCWIQAGZIW-MOPGFXCFSA-N 2 1 344.503 1.533 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000659537562 452395938 /nfs/dbraw/zinc/39/59/38/452395938.db2.gz LUQATLKEWDWOBB-KZNAEPCWSA-N 2 1 346.475 1.322 20 0 EDADMP [NH3+]C[C@]1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCCOC1 ZINC000638081297 452398746 /nfs/dbraw/zinc/39/87/46/452398746.db2.gz WZWSYJBRODXYQY-AZUAARDMSA-N 2 1 345.487 1.913 20 0 EDADMP [NH3+]C1(CC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CCC1 ZINC000645452114 452419656 /nfs/dbraw/zinc/41/96/56/452419656.db2.gz GSTYDJFKSMTBKD-UHFFFAOYSA-N 2 1 344.503 1.582 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240675 452426953 /nfs/dbraw/zinc/42/69/53/452426953.db2.gz KRIQODCEIFATBZ-MRXNPFEDSA-N 3 1 339.528 1.173 20 0 EDADMP CC[NH+]1CCN(c2cnc(N3CC[N@H+](CC)[C@@H](C)C3)cn2)C[C@H]1C ZINC000663744827 452477528 /nfs/dbraw/zinc/47/75/28/452477528.db2.gz QFAZPZCGAQFJIG-IYBDPMFKSA-N 2 1 332.496 1.537 20 0 EDADMP CC[NH+]1CCN(c2cnc(N3CC[N@H+](CC)[C@H](C)C3)cn2)C[C@@H]1C ZINC000663744827 452477533 /nfs/dbraw/zinc/47/75/33/452477533.db2.gz QFAZPZCGAQFJIG-IYBDPMFKSA-N 2 1 332.496 1.537 20 0 EDADMP CC[NH+]1CCN(c2cnc(N3CC[N@@H+](CC)[C@H](C)C3)cn2)C[C@@H]1C ZINC000663744827 452477544 /nfs/dbraw/zinc/47/75/44/452477544.db2.gz QFAZPZCGAQFJIG-IYBDPMFKSA-N 2 1 332.496 1.537 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)CC1 ZINC000661666402 452478355 /nfs/dbraw/zinc/47/83/55/452478355.db2.gz XLEDXBDSMRBYBE-RBUKOAKNSA-N 2 1 345.487 1.249 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)CC1 ZINC000661666402 452478361 /nfs/dbraw/zinc/47/83/61/452478361.db2.gz XLEDXBDSMRBYBE-RBUKOAKNSA-N 2 1 345.487 1.249 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@]2(O)CCCOC2)[C@H](C)C1 ZINC000652324552 452499191 /nfs/dbraw/zinc/49/91/91/452499191.db2.gz DWIKJHKMOACFPT-SQNIBIBYSA-N 2 1 328.497 1.645 20 0 EDADMP C(Cc1nnc2n1CCCCC2)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655685999 452507762 /nfs/dbraw/zinc/50/77/62/452507762.db2.gz WRVMGJGGVBFRLG-KRWDZBQOSA-N 2 1 347.507 1.780 20 0 EDADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000652337751 452507894 /nfs/dbraw/zinc/50/78/94/452507894.db2.gz JDXKCVRCXDDTKK-SFHVURJKSA-N 2 1 330.432 1.886 20 0 EDADMP Cc1cccc(C(=O)NCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655698121 452520303 /nfs/dbraw/zinc/52/03/03/452520303.db2.gz WXPWYDHWVLPOPC-SFHVURJKSA-N 2 1 331.460 1.568 20 0 EDADMP CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347964 452523567 /nfs/dbraw/zinc/52/35/67/452523567.db2.gz QCSWQDUEURLIOJ-RWMBFGLXSA-N 2 1 337.386 1.225 20 0 EDADMP CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347964 452523573 /nfs/dbraw/zinc/52/35/73/452523573.db2.gz QCSWQDUEURLIOJ-RWMBFGLXSA-N 2 1 337.386 1.225 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCC(=O)Nc3cccnc3)C2)C1 ZINC000652349247 452524832 /nfs/dbraw/zinc/52/48/32/452524832.db2.gz HVCDOAZCIHRLTI-INMHGKMJSA-N 2 1 332.448 1.629 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1nnc2ccccn21 ZINC000666009587 452525741 /nfs/dbraw/zinc/52/57/41/452525741.db2.gz XDEQFICQSKNGTL-ZDUSSCGKSA-N 2 1 333.440 1.123 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1nnc2ccccn21 ZINC000666009587 452525747 /nfs/dbraw/zinc/52/57/47/452525747.db2.gz XDEQFICQSKNGTL-ZDUSSCGKSA-N 2 1 333.440 1.123 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652354613 452532789 /nfs/dbraw/zinc/53/27/89/452532789.db2.gz CSWSSLKWYQUTHI-QAPCUYQASA-N 2 1 333.476 1.899 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652354613 452532799 /nfs/dbraw/zinc/53/27/99/452532799.db2.gz CSWSSLKWYQUTHI-QAPCUYQASA-N 2 1 333.476 1.899 20 0 EDADMP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC(C[NH+]2CCOCC2)C1 ZINC000647806714 452538742 /nfs/dbraw/zinc/53/87/42/452538742.db2.gz SXMAOFVJVOWUCE-SFHVURJKSA-N 2 1 335.492 1.574 20 0 EDADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC(C[NH+]2CCOCC2)C1 ZINC000647806714 452538749 /nfs/dbraw/zinc/53/87/49/452538749.db2.gz SXMAOFVJVOWUCE-SFHVURJKSA-N 2 1 335.492 1.574 20 0 EDADMP Cn1cc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)on2)cn1 ZINC000652364039 452545125 /nfs/dbraw/zinc/54/51/25/452545125.db2.gz VWMSCAWNPMFBKR-QGTPRVQTSA-N 2 1 345.447 1.936 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000647828580 452564639 /nfs/dbraw/zinc/56/46/39/452564639.db2.gz VPGNKXKFAPFYGR-AWEZNQCLSA-N 2 1 345.422 1.298 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000647828580 452564645 /nfs/dbraw/zinc/56/46/45/452564645.db2.gz VPGNKXKFAPFYGR-AWEZNQCLSA-N 2 1 345.422 1.298 20 0 EDADMP CC(C)C[C@@H](NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647834844 452567943 /nfs/dbraw/zinc/56/79/43/452567943.db2.gz BHBRYQLJVGHBJE-LJQANCHMSA-N 2 1 346.519 1.727 20 0 EDADMP CC(C)C[C@@H](NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647834844 452567952 /nfs/dbraw/zinc/56/79/52/452567952.db2.gz BHBRYQLJVGHBJE-LJQANCHMSA-N 2 1 346.519 1.727 20 0 EDADMP OC[C@@]1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCc2ccccc21 ZINC000655791918 452583617 /nfs/dbraw/zinc/58/36/17/452583617.db2.gz HGOSCBVOFDLRHW-QUCCMNQESA-N 2 1 330.472 1.706 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCCO1 ZINC000654546196 452627313 /nfs/dbraw/zinc/62/73/13/452627313.db2.gz NIFVSINUYZWDAM-HRCADAONSA-N 2 1 326.485 1.127 20 0 EDADMP [NH3+]C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655909809 452665898 /nfs/dbraw/zinc/66/58/98/452665898.db2.gz GNYXKSBTXHWYIM-CHWSQXEVSA-N 2 1 330.354 1.450 20 0 EDADMP CCn1ccnc1[C@H](C)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583240 452667573 /nfs/dbraw/zinc/66/75/73/452667573.db2.gz LCKGMSWZOXUCTR-XQLPTFJDSA-N 2 1 337.468 1.761 20 0 EDADMP CCn1ccnc1[C@H](C)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583240 452667583 /nfs/dbraw/zinc/66/75/83/452667583.db2.gz LCKGMSWZOXUCTR-XQLPTFJDSA-N 2 1 337.468 1.761 20 0 EDADMP Cc1ccc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c(N2CCCC2)[nH+]1 ZINC000655922498 452687008 /nfs/dbraw/zinc/68/70/08/452687008.db2.gz QPJNGOSGCRMNJV-GFCCVEGCSA-N 2 1 345.369 1.679 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000661954223 452713930 /nfs/dbraw/zinc/71/39/30/452713930.db2.gz WANGODIVNANKDT-QGZVFWFLSA-N 2 1 338.496 1.225 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655958104 452737485 /nfs/dbraw/zinc/73/74/85/452737485.db2.gz IDUVIXHQCSUMTA-SJORKVTESA-N 2 1 344.459 1.478 20 0 EDADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654649473 452742001 /nfs/dbraw/zinc/74/20/01/452742001.db2.gz GCGUBWUZTCJUBB-NCOADZHNSA-N 2 1 340.512 1.656 20 0 EDADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654649473 452742009 /nfs/dbraw/zinc/74/20/09/452742009.db2.gz GCGUBWUZTCJUBB-NCOADZHNSA-N 2 1 340.512 1.656 20 0 EDADMP O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655962557 452743441 /nfs/dbraw/zinc/74/34/41/452743441.db2.gz ONTYOMRPICAQCM-QZTJIDSGSA-N 2 1 345.491 1.877 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650218 452743923 /nfs/dbraw/zinc/74/39/23/452743923.db2.gz VDLINHGWOMYETJ-NXOAAHMSSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650218 452743930 /nfs/dbraw/zinc/74/39/30/452743930.db2.gz VDLINHGWOMYETJ-NXOAAHMSSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650218 452743936 /nfs/dbraw/zinc/74/39/36/452743936.db2.gz VDLINHGWOMYETJ-NXOAAHMSSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650218 452743943 /nfs/dbraw/zinc/74/39/43/452743943.db2.gz VDLINHGWOMYETJ-NXOAAHMSSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969052 452750030 /nfs/dbraw/zinc/75/00/30/452750030.db2.gz MRTMAPGSFJAWLV-KFWWJZLASA-N 2 1 334.464 1.442 20 0 EDADMP C[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969052 452750035 /nfs/dbraw/zinc/75/00/35/452750035.db2.gz MRTMAPGSFJAWLV-KFWWJZLASA-N 2 1 334.464 1.442 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000655970280 452751542 /nfs/dbraw/zinc/75/15/42/452751542.db2.gz HBKHMIWPZVDREG-LVQVYYBASA-N 2 1 326.485 1.125 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000655970280 452751546 /nfs/dbraw/zinc/75/15/46/452751546.db2.gz HBKHMIWPZVDREG-LVQVYYBASA-N 2 1 326.485 1.125 20 0 EDADMP O=C([C@H]1CC[NH2+]CC1(F)F)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000648114706 452831345 /nfs/dbraw/zinc/83/13/45/452831345.db2.gz BFPKBSBNQLAFLG-HUUCEWRRSA-N 2 1 338.402 1.265 20 0 EDADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@]1(O)CCCOC1 ZINC000658317577 452845106 /nfs/dbraw/zinc/84/51/06/452845106.db2.gz SCMNRWZEZMVFAS-WMZOPIPTSA-N 2 1 326.481 1.397 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000664205873 452879257 /nfs/dbraw/zinc/87/92/57/452879257.db2.gz GVSHVYZONYRIPM-JONQDZQNSA-N 2 1 340.512 1.371 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000664205873 452879262 /nfs/dbraw/zinc/87/92/62/452879262.db2.gz GVSHVYZONYRIPM-JONQDZQNSA-N 2 1 340.512 1.371 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664212069 452884000 /nfs/dbraw/zinc/88/40/00/452884000.db2.gz GOVKNEFBLIYRSF-HOTGVXAUSA-N 2 1 327.517 1.042 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000664212069 452884007 /nfs/dbraw/zinc/88/40/07/452884007.db2.gz GOVKNEFBLIYRSF-HOTGVXAUSA-N 3 1 327.517 1.042 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000664212069 452884012 /nfs/dbraw/zinc/88/40/12/452884012.db2.gz GOVKNEFBLIYRSF-HOTGVXAUSA-N 3 1 327.517 1.042 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664212069 452884018 /nfs/dbraw/zinc/88/40/18/452884018.db2.gz GOVKNEFBLIYRSF-HOTGVXAUSA-N 3 1 327.517 1.042 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664212069 452884024 /nfs/dbraw/zinc/88/40/24/452884024.db2.gz GOVKNEFBLIYRSF-HOTGVXAUSA-N 3 1 327.517 1.042 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)[C@@H]2C1 ZINC000648175713 452887480 /nfs/dbraw/zinc/88/74/80/452887480.db2.gz OMMHVJGBQIOKES-MSOLQXFVSA-N 2 1 343.471 1.239 20 0 EDADMP Cn1c2ccccc2nc1CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152483 452887849 /nfs/dbraw/zinc/88/78/49/452887849.db2.gz GICKUNSRJPJYAU-MRXNPFEDSA-N 2 1 328.460 1.647 20 0 EDADMP Cn1c2ccccc2nc1CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152483 452887857 /nfs/dbraw/zinc/88/78/57/452887857.db2.gz GICKUNSRJPJYAU-MRXNPFEDSA-N 2 1 328.460 1.647 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3cn[nH]c3)CC2)CC1 ZINC000654791344 452925945 /nfs/dbraw/zinc/92/59/45/452925945.db2.gz JSHOZBDRJMUVMY-UHFFFAOYSA-N 2 1 333.480 1.564 20 0 EDADMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(C(=O)NC2CCCC2)nn1 ZINC000664247790 452927941 /nfs/dbraw/zinc/92/79/41/452927941.db2.gz HXEWYCJIULYACG-UHFFFAOYSA-N 2 1 348.495 1.444 20 0 EDADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(C(=O)NC2CCCC2)nn1 ZINC000664247790 452927947 /nfs/dbraw/zinc/92/79/47/452927947.db2.gz HXEWYCJIULYACG-UHFFFAOYSA-N 2 1 348.495 1.444 20 0 EDADMP CCn1nc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C ZINC000666531687 452944430 /nfs/dbraw/zinc/94/44/30/452944430.db2.gz MURHGKMFQFSFJL-ZDUSSCGKSA-N 2 1 338.500 1.913 20 0 EDADMP CCn1nc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C ZINC000666531687 452944434 /nfs/dbraw/zinc/94/44/34/452944434.db2.gz MURHGKMFQFSFJL-ZDUSSCGKSA-N 2 1 338.500 1.913 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)[C@H](Cc2ccccc2)C1 ZINC000650725134 452954744 /nfs/dbraw/zinc/95/47/44/452954744.db2.gz UDHJRFVXCLLDJH-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)[C@H](Cc2ccccc2)C1 ZINC000650725134 452954749 /nfs/dbraw/zinc/95/47/49/452954749.db2.gz UDHJRFVXCLLDJH-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000650725134 452954756 /nfs/dbraw/zinc/95/47/56/452954756.db2.gz UDHJRFVXCLLDJH-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000650725134 452954766 /nfs/dbraw/zinc/95/47/66/452954766.db2.gz UDHJRFVXCLLDJH-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccccc1 ZINC000662255812 452986294 /nfs/dbraw/zinc/98/62/94/452986294.db2.gz DQXQOPQMXSXUGI-ROUUACIJSA-N 2 1 343.471 1.792 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]([NH3+])CC3CCCCC3)CC2)C1 ZINC000646002966 452998647 /nfs/dbraw/zinc/99/86/47/452998647.db2.gz LRRQKGCHXKEMRG-MSOLQXFVSA-N 2 1 336.524 1.523 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]([NH3+])CC3CCCCC3)CC2)C1 ZINC000646002968 452998962 /nfs/dbraw/zinc/99/89/62/452998962.db2.gz LRRQKGCHXKEMRG-ROUUACIJSA-N 2 1 336.524 1.523 20 0 EDADMP OCC1([NH2+]CCOc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000662286338 453011948 /nfs/dbraw/zinc/01/19/48/453011948.db2.gz RJWADXNUOPHIQY-UHFFFAOYSA-N 2 1 329.238 1.532 20 0 EDADMP COc1cc(NC(=O)CC[N@H+](C)CC(C)(C)[NH3+])cc(OC)c1OC ZINC000662292747 453017156 /nfs/dbraw/zinc/01/71/56/453017156.db2.gz KQYQXIFHEACFKT-UHFFFAOYSA-N 2 1 339.436 1.710 20 0 EDADMP COc1cc(NC(=O)CC[N@@H+](C)CC(C)(C)[NH3+])cc(OC)c1OC ZINC000662292747 453017161 /nfs/dbraw/zinc/01/71/61/453017161.db2.gz KQYQXIFHEACFKT-UHFFFAOYSA-N 2 1 339.436 1.710 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666664218 453051562 /nfs/dbraw/zinc/05/15/62/453051562.db2.gz BIOJJMGHKYROEJ-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662352582 453068500 /nfs/dbraw/zinc/06/85/00/453068500.db2.gz XZHXULUSNPAWKP-AWEZNQCLSA-N 2 1 337.489 1.480 20 0 EDADMP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662366984 453078307 /nfs/dbraw/zinc/07/83/07/453078307.db2.gz AXPTWEFWMBELDX-ZDUSSCGKSA-N 2 1 328.254 1.907 20 0 EDADMP CCn1nnc(C)c1C[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000648446254 453090823 /nfs/dbraw/zinc/09/08/23/453090823.db2.gz SGTLRYAEPHLOBX-OAHLLOKOSA-N 2 1 329.452 1.772 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662387287 453096623 /nfs/dbraw/zinc/09/66/23/453096623.db2.gz ROXFHPJIIWRSCR-ZNMIVQPWSA-N 2 1 333.480 1.584 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662387151 453097129 /nfs/dbraw/zinc/09/71/29/453097129.db2.gz BWSQRMWQRJDRQL-CABCVRRESA-N 2 1 333.480 1.871 20 0 EDADMP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000650899619 453098414 /nfs/dbraw/zinc/09/84/14/453098414.db2.gz LBRBELJZSRJUBE-MRXNPFEDSA-N 2 1 328.501 1.232 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000650899619 453098422 /nfs/dbraw/zinc/09/84/22/453098422.db2.gz LBRBELJZSRJUBE-MRXNPFEDSA-N 2 1 328.501 1.232 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662402926 453114770 /nfs/dbraw/zinc/11/47/70/453114770.db2.gz GPZZATQOSUXIKI-ZIAGYGMSSA-N 2 1 334.464 1.992 20 0 EDADMP O=C(NCC[NH2+]C1CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644198641 453128252 /nfs/dbraw/zinc/12/82/52/453128252.db2.gz GMIAIQSLSROUMQ-FUHWJXTLSA-N 2 1 328.460 1.654 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000662457392 453164897 /nfs/dbraw/zinc/16/48/97/453164897.db2.gz HZWPVOLGITWUJM-VQIMIIECSA-N 2 1 342.487 1.506 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000662457392 453164901 /nfs/dbraw/zinc/16/49/01/453164901.db2.gz HZWPVOLGITWUJM-VQIMIIECSA-N 2 1 342.487 1.506 20 0 EDADMP CN(CCC[NH3+])Cc1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468347 453204069 /nfs/dbraw/zinc/20/40/69/453204069.db2.gz LMFUKUGVJUTDQG-SFHVURJKSA-N 2 1 342.491 1.581 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662494092 453211800 /nfs/dbraw/zinc/21/18/00/453211800.db2.gz WBYXICQDHNBCKU-APWZRJJASA-N 2 1 344.503 1.611 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000666921465 453243311 /nfs/dbraw/zinc/24/33/11/453243311.db2.gz WBDHWBZJGPEVBW-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)C1 ZINC000666921465 453243322 /nfs/dbraw/zinc/24/33/22/453243322.db2.gz WBDHWBZJGPEVBW-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)C1 ZINC000666921465 453243334 /nfs/dbraw/zinc/24/33/34/453243334.db2.gz WBDHWBZJGPEVBW-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000648762774 453243937 /nfs/dbraw/zinc/24/39/37/453243937.db2.gz YFZFJZLSCOXNSH-LSDHHAIUSA-N 2 1 349.479 1.100 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000648762774 453243941 /nfs/dbraw/zinc/24/39/41/453243941.db2.gz YFZFJZLSCOXNSH-LSDHHAIUSA-N 2 1 349.479 1.100 20 0 EDADMP CC1(CNC(=O)[C@H]([NH3+])c2ccccc2Br)CC[NH2+]CC1 ZINC000662553078 453283088 /nfs/dbraw/zinc/28/30/88/453283088.db2.gz LHKGVMOUDWFNCY-CYBMUJFWSA-N 2 1 340.265 1.955 20 0 EDADMP CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2cnccn2)n1 ZINC000656564582 453283822 /nfs/dbraw/zinc/28/38/22/453283822.db2.gz BGSBUCXVILWDKO-ZFWWWQNUSA-N 2 1 345.426 1.381 20 0 EDADMP CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CN(C)Cc2cnccn2)n1 ZINC000656564582 453283831 /nfs/dbraw/zinc/28/38/31/453283831.db2.gz BGSBUCXVILWDKO-ZFWWWQNUSA-N 2 1 345.426 1.381 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccccc1Cl ZINC000653106126 453287818 /nfs/dbraw/zinc/28/78/18/453287818.db2.gz UZINHFWMWQVCCV-MJEQTWJJSA-N 2 1 337.851 1.295 20 0 EDADMP C[C@H]1C[C@H](NC(=O)c2sc3c(c2Br)C[NH2+]C3)CC[NH2+]1 ZINC000662562874 453291238 /nfs/dbraw/zinc/29/12/38/453291238.db2.gz QQRXYBAOEGFCEN-JGVFFNPUSA-N 2 1 344.278 1.984 20 0 EDADMP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH+](CCc2cccs2)CC1 ZINC000653110781 453296243 /nfs/dbraw/zinc/29/62/43/453296243.db2.gz UHSFUNORPGTWNZ-SJORKVTESA-N 2 1 333.501 1.965 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CCCO1 ZINC000662574791 453301750 /nfs/dbraw/zinc/30/17/50/453301750.db2.gz KRAXYVVWUQIUIE-GWCFXTLKSA-N 2 1 342.237 1.025 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000653122436 453313657 /nfs/dbraw/zinc/31/36/57/453313657.db2.gz WXSHFHHJYPNFIF-QXAKKESOSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000653122436 453313663 /nfs/dbraw/zinc/31/36/63/453313663.db2.gz WXSHFHHJYPNFIF-QXAKKESOSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)CC[N@H+]1C ZINC000648833517 453315282 /nfs/dbraw/zinc/31/52/82/453315282.db2.gz OSFNIDHLIYAVEL-QXCFHYIPSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC[NH+]1C ZINC000648833517 453315291 /nfs/dbraw/zinc/31/52/91/453315291.db2.gz OSFNIDHLIYAVEL-QXCFHYIPSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC[NH+]1C ZINC000648833517 453315299 /nfs/dbraw/zinc/31/52/99/453315299.db2.gz OSFNIDHLIYAVEL-QXCFHYIPSA-N 2 1 345.487 1.326 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662591538 453319222 /nfs/dbraw/zinc/31/92/22/453319222.db2.gz SVXAWJHVBVTFBS-LSDHHAIUSA-N 2 1 331.464 1.338 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](C[C@H]3CCOc4ccccc43)C2)nn1 ZINC000667040499 453357412 /nfs/dbraw/zinc/35/74/12/453357412.db2.gz UVWWVPKMIOHOJL-ZBFHGGJFSA-N 2 1 327.432 1.940 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000646390818 453361256 /nfs/dbraw/zinc/36/12/56/453361256.db2.gz HLNAOUJFMYSELW-UHFFFAOYSA-N 2 1 348.491 1.595 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000662659579 453372807 /nfs/dbraw/zinc/37/28/07/453372807.db2.gz SQLUQMAKQFZFKM-ROUUACIJSA-N 2 1 347.528 1.857 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000662667962 453382778 /nfs/dbraw/zinc/38/27/78/453382778.db2.gz FHQYJKKBOHPGJC-AWEZNQCLSA-N 2 1 346.479 1.339 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000651264303 453408778 /nfs/dbraw/zinc/40/87/78/453408778.db2.gz RALWURJCEDZRSJ-INIZCTEOSA-N 2 1 336.480 1.571 20 0 EDADMP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662700718 453422630 /nfs/dbraw/zinc/42/26/30/453422630.db2.gz JZPGYLYJZFDFPC-SMDDNHRTSA-N 2 1 340.265 1.907 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662700718 453422635 /nfs/dbraw/zinc/42/26/35/453422635.db2.gz JZPGYLYJZFDFPC-SMDDNHRTSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@@H]1C[N@@H+](CCN2CCC([NH+]3CCOC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000660589014 453430745 /nfs/dbraw/zinc/43/07/45/453430745.db2.gz DBRFGENLAXCRQO-YESZJQIVSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@@H]1C[N@H+](CCN2CCC([NH+]3CCOC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000660589014 453430754 /nfs/dbraw/zinc/43/07/54/453430754.db2.gz DBRFGENLAXCRQO-YESZJQIVSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@@H]1C[NH+](CCN2CCC([N@H+]3CCOC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000660589014 453430764 /nfs/dbraw/zinc/43/07/64/453430764.db2.gz DBRFGENLAXCRQO-YESZJQIVSA-N 2 1 325.497 1.281 20 0 EDADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000656787186 453448136 /nfs/dbraw/zinc/44/81/36/453448136.db2.gz FXYRVAVFOUJSEO-ZACQAIPSSA-N 2 1 329.444 1.477 20 0 EDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000656787186 453448138 /nfs/dbraw/zinc/44/81/38/453448138.db2.gz FXYRVAVFOUJSEO-ZACQAIPSSA-N 2 1 329.444 1.477 20 0 EDADMP C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662766405 453504700 /nfs/dbraw/zinc/50/47/00/453504700.db2.gz MIGYPPUSVRWVSD-CYBMUJFWSA-N 2 1 326.238 1.613 20 0 EDADMP C[N@H+]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662766405 453504707 /nfs/dbraw/zinc/50/47/07/453504707.db2.gz MIGYPPUSVRWVSD-CYBMUJFWSA-N 2 1 326.238 1.613 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)CC2C[NH+](C)C2)[C@@H](C)C1 ZINC000660677380 453506922 /nfs/dbraw/zinc/50/69/22/453506922.db2.gz YYCOHJFDYOVSSX-RDJZCZTQSA-N 2 1 340.512 1.326 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660702130 453526281 /nfs/dbraw/zinc/52/62/81/453526281.db2.gz GFQJJDQXKWPDKS-IAGOWNOFSA-N 2 1 336.480 1.023 20 0 EDADMP CC(C)([NH3+])c1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)on1 ZINC000662805319 453540433 /nfs/dbraw/zinc/54/04/33/453540433.db2.gz KOSPHVWKDZCQSO-GXTWGEPZSA-N 2 1 332.448 1.957 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000667328965 453561919 /nfs/dbraw/zinc/56/19/19/453561919.db2.gz XWFAYGXEOOMTEQ-GOSISDBHSA-N 2 1 328.460 1.822 20 0 EDADMP C[NH+]1CC=C(CNC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000667328965 453561925 /nfs/dbraw/zinc/56/19/25/453561925.db2.gz XWFAYGXEOOMTEQ-GOSISDBHSA-N 2 1 328.460 1.822 20 0 EDADMP C[NH+]1CC=C(CNC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000667328965 453561930 /nfs/dbraw/zinc/56/19/30/453561930.db2.gz XWFAYGXEOOMTEQ-GOSISDBHSA-N 2 1 328.460 1.822 20 0 EDADMP CCO[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665071990 453564358 /nfs/dbraw/zinc/56/43/58/453564358.db2.gz GVDSGPRUROCDNA-GVDBMIGSSA-N 2 1 342.528 1.905 20 0 EDADMP CCO[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665071990 453564365 /nfs/dbraw/zinc/56/43/65/453564365.db2.gz GVDSGPRUROCDNA-GVDBMIGSSA-N 2 1 342.528 1.905 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662873288 453583152 /nfs/dbraw/zinc/58/31/52/453583152.db2.gz WCABDCBNTUNRRK-FGTMMUONSA-N 2 1 331.460 1.126 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCSC1 ZINC000660826184 453589701 /nfs/dbraw/zinc/58/97/01/453589701.db2.gz NRSYSIKRIWAEPE-BBRMVZONSA-N 2 1 328.526 1.596 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000660827832 453590990 /nfs/dbraw/zinc/59/09/90/453590990.db2.gz QWVXNYWODVQGPO-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660827832 453590996 /nfs/dbraw/zinc/59/09/96/453590996.db2.gz QWVXNYWODVQGPO-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660827832 453591002 /nfs/dbraw/zinc/59/10/02/453591002.db2.gz QWVXNYWODVQGPO-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000662939343 453615111 /nfs/dbraw/zinc/61/51/11/453615111.db2.gz FAALPYDPLALGQW-BHIYHBOVSA-N 2 1 344.503 1.307 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000662939343 453615114 /nfs/dbraw/zinc/61/51/14/453615114.db2.gz FAALPYDPLALGQW-BHIYHBOVSA-N 2 1 344.503 1.307 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000663002696 453643334 /nfs/dbraw/zinc/64/33/34/453643334.db2.gz HMFYMPUOTGRDDH-MGNMYUMUSA-N 2 1 333.476 1.039 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000663003139 453643422 /nfs/dbraw/zinc/64/34/22/453643422.db2.gz JYINMWQBERZIEW-QGZVFWFLSA-N 2 1 345.491 1.200 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000665356021 453664158 /nfs/dbraw/zinc/66/41/58/453664158.db2.gz DUPSYLVJRLXLFZ-GJZGRUSLSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000665356021 453664159 /nfs/dbraw/zinc/66/41/59/453664159.db2.gz DUPSYLVJRLXLFZ-GJZGRUSLSA-N 2 1 326.485 1.005 20 0 EDADMP C[C@@H](NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000661010045 453679650 /nfs/dbraw/zinc/67/96/50/453679650.db2.gz OUICJDKDNAIWRG-PBHICJAKSA-N 2 1 336.480 1.189 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000659298732 453706976 /nfs/dbraw/zinc/70/69/76/453706976.db2.gz ADXRVWCFSIRIEI-ZETCQYMHSA-N 2 1 330.251 1.548 20 0 EDADMP C[C@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659329557 453718036 /nfs/dbraw/zinc/71/80/36/453718036.db2.gz JMTIMVDDUXQVKZ-ZXFNITATSA-N 2 1 331.460 1.835 20 0 EDADMP C[C@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659329557 453718041 /nfs/dbraw/zinc/71/80/41/453718041.db2.gz JMTIMVDDUXQVKZ-ZXFNITATSA-N 2 1 331.460 1.835 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665555965 453747630 /nfs/dbraw/zinc/74/76/30/453747630.db2.gz OHZKLKCFVYIYCQ-HNNXBMFYSA-N 2 1 340.512 1.611 20 0 EDADMP COC[C@@H](C)Oc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000657347357 453771580 /nfs/dbraw/zinc/77/15/80/453771580.db2.gz XUHZGFGGOKBNLV-MRXNPFEDSA-N 2 1 349.475 1.354 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663498435 453810268 /nfs/dbraw/zinc/81/02/68/453810268.db2.gz SRCRIYWVDFJTBD-SNPRPXQTSA-N 3 1 336.505 1.650 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663498435 453810270 /nfs/dbraw/zinc/81/02/70/453810270.db2.gz SRCRIYWVDFJTBD-SNPRPXQTSA-N 3 1 336.505 1.650 20 0 EDADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663514053 453814009 /nfs/dbraw/zinc/81/40/09/453814009.db2.gz VSWJFMUYBSLMPI-HNNXBMFYSA-N 2 1 343.479 1.539 20 0 EDADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CN1CC[NH+](C)CC1 ZINC000676197811 486687937 /nfs/dbraw/zinc/68/79/37/486687937.db2.gz OIFIYKDXMUUZOM-UHFFFAOYSA-N 2 1 330.476 1.777 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676303427 486726907 /nfs/dbraw/zinc/72/69/07/486726907.db2.gz BTLSYLKFWHSLDX-ULQDDVLXSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676303427 486726914 /nfs/dbraw/zinc/72/69/14/486726914.db2.gz BTLSYLKFWHSLDX-ULQDDVLXSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676332620 486738868 /nfs/dbraw/zinc/73/88/68/486738868.db2.gz PCDOHSFDEKRMNY-CRAIPNDOSA-N 2 1 331.460 1.731 20 0 EDADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676332620 486738875 /nfs/dbraw/zinc/73/88/75/486738875.db2.gz PCDOHSFDEKRMNY-CRAIPNDOSA-N 2 1 331.460 1.731 20 0 EDADMP C[NH2+]CCN(C)C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000415544665 486750606 /nfs/dbraw/zinc/75/06/06/486750606.db2.gz HBGOZOJIEOXOAN-CQSZACIVSA-N 2 1 346.475 1.663 20 0 EDADMP C[NH+](C)CC1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCCCC1 ZINC000683813233 486825233 /nfs/dbraw/zinc/82/52/33/486825233.db2.gz LOWIXTHLECTEGD-KRWDZBQOSA-N 2 1 337.508 1.822 20 0 EDADMP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)CC1 ZINC000683870094 486847103 /nfs/dbraw/zinc/84/71/03/486847103.db2.gz CVNVAQSUNMADID-SOLBZPMBSA-N 2 1 334.508 1.288 20 0 EDADMP C[C@H]1C[C@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)C[N@@H+]1C1CC1 ZINC000683943679 486876408 /nfs/dbraw/zinc/87/64/08/486876408.db2.gz PEXMESCGYVKJFQ-GUYCJALGSA-N 2 1 328.460 1.567 20 0 EDADMP C[C@H]1C[C@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)C[N@H+]1C1CC1 ZINC000683943679 486876416 /nfs/dbraw/zinc/87/64/16/486876416.db2.gz PEXMESCGYVKJFQ-GUYCJALGSA-N 2 1 328.460 1.567 20 0 EDADMP C[C@H]1C[C@H](Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)C[NH+]1C1CC1 ZINC000683943679 486876420 /nfs/dbraw/zinc/87/64/20/486876420.db2.gz PEXMESCGYVKJFQ-GUYCJALGSA-N 2 1 328.460 1.567 20 0 EDADMP C[C@H]1C[C@H](Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)C[NH+]1C1CC1 ZINC000683943679 486876426 /nfs/dbraw/zinc/87/64/26/486876426.db2.gz PEXMESCGYVKJFQ-GUYCJALGSA-N 2 1 328.460 1.567 20 0 EDADMP CC[NH+]1CCN(c2nccnc2N2CC[N@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000680959631 486907920 /nfs/dbraw/zinc/90/79/20/486907920.db2.gz INQUNWJNHZGZPA-IYBDPMFKSA-N 2 1 332.496 1.537 20 0 EDADMP CC[NH+]1CCN(c2nccnc2N2CC[N@@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000680959631 486907925 /nfs/dbraw/zinc/90/79/25/486907925.db2.gz INQUNWJNHZGZPA-IYBDPMFKSA-N 2 1 332.496 1.537 20 0 EDADMP [NH3+]Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000667726331 486936333 /nfs/dbraw/zinc/93/63/33/486936333.db2.gz RQFDRIGBKZBGFM-IAGOWNOFSA-N 2 1 332.448 1.910 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000681257421 486993011 /nfs/dbraw/zinc/99/30/11/486993011.db2.gz LECBGGIATJZVOF-HIFRSBDPSA-N 2 1 338.496 1.094 20 0 EDADMP CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677236233 487017703 /nfs/dbraw/zinc/01/77/03/487017703.db2.gz AMVDLVUZVPWPLW-IRXDYDNUSA-N 2 1 337.489 1.452 20 0 EDADMP C[C@]1(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)NC(=O)NC1=O ZINC000677237862 487017932 /nfs/dbraw/zinc/01/79/32/487017932.db2.gz ODGHTYYHUDBPCO-TXPKVOOTSA-N 2 1 342.443 1.458 20 0 EDADMP CO[C@H](CC(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000667954434 487030342 /nfs/dbraw/zinc/03/03/42/487030342.db2.gz GTYNXNHBYPUSSJ-IAGOWNOFSA-N 2 1 325.497 1.674 20 0 EDADMP CO[C@H](CC(C)C)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000667954434 487030344 /nfs/dbraw/zinc/03/03/44/487030344.db2.gz GTYNXNHBYPUSSJ-IAGOWNOFSA-N 2 1 325.497 1.674 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000673514128 487034702 /nfs/dbraw/zinc/03/47/02/487034702.db2.gz OUYKXVBKBGTZFJ-KSZLIROESA-N 2 1 331.460 1.347 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000673514128 487034703 /nfs/dbraw/zinc/03/47/03/487034703.db2.gz OUYKXVBKBGTZFJ-KSZLIROESA-N 2 1 331.460 1.347 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000673514128 487034705 /nfs/dbraw/zinc/03/47/05/487034705.db2.gz OUYKXVBKBGTZFJ-KSZLIROESA-N 2 1 331.460 1.347 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000673514128 487034707 /nfs/dbraw/zinc/03/47/07/487034707.db2.gz OUYKXVBKBGTZFJ-KSZLIROESA-N 2 1 331.460 1.347 20 0 EDADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673515908 487038080 /nfs/dbraw/zinc/03/80/80/487038080.db2.gz OMZLHMGPJKTXBY-MOPGFXCFSA-N 2 1 343.471 1.564 20 0 EDADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677870800 487187339 /nfs/dbraw/zinc/18/73/39/487187339.db2.gz BIMAIKYZZJVEJO-SFHVURJKSA-N 2 1 339.443 1.187 20 0 EDADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677870800 487187340 /nfs/dbraw/zinc/18/73/40/487187340.db2.gz BIMAIKYZZJVEJO-SFHVURJKSA-N 2 1 339.443 1.187 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2ccccc2-n2cncn2)CC1(C)C ZINC000685043689 487219813 /nfs/dbraw/zinc/21/98/13/487219813.db2.gz ZFCPZMCVFFTBRY-UHFFFAOYSA-N 2 1 328.464 1.383 20 0 EDADMP C[NH+]1CCN(CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000678328677 487290232 /nfs/dbraw/zinc/29/02/32/487290232.db2.gz DXGIYSRAXBVJFT-UHFFFAOYSA-N 2 1 330.476 1.511 20 0 EDADMP Cc1ncc2n1CC[C@@H](C(=O)N1CCC[N@@H+](C[C@@H]3CCCO3)CC1)C2 ZINC000685602757 487301211 /nfs/dbraw/zinc/30/12/11/487301211.db2.gz RXRCYXPUDPKJOK-AEFFLSMTSA-N 2 1 346.475 1.467 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC[N@@H+](C[C@@H]3CCCO3)CC1)C2 ZINC000685602757 487301217 /nfs/dbraw/zinc/30/12/17/487301217.db2.gz RXRCYXPUDPKJOK-AEFFLSMTSA-N 2 1 346.475 1.467 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000685647019 487307425 /nfs/dbraw/zinc/30/74/25/487307425.db2.gz DUTKVDZUJQTNOF-CRAIPNDOSA-N 2 1 349.500 1.785 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000685647019 487307428 /nfs/dbraw/zinc/30/74/28/487307428.db2.gz DUTKVDZUJQTNOF-CRAIPNDOSA-N 2 1 349.500 1.785 20 0 EDADMP C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000119133422 485500436 /nfs/dbraw/zinc/50/04/36/485500436.db2.gz AZBMLVCTGJQOJZ-RHSMWYFYSA-N 2 1 335.448 1.076 20 0 EDADMP C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000119133422 485500444 /nfs/dbraw/zinc/50/04/44/485500444.db2.gz AZBMLVCTGJQOJZ-RHSMWYFYSA-N 2 1 335.448 1.076 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538361 485520214 /nfs/dbraw/zinc/52/02/14/485520214.db2.gz NOKIIXAFLQIGTA-HZMVEIRTSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538361 485520218 /nfs/dbraw/zinc/52/02/18/485520218.db2.gz NOKIIXAFLQIGTA-HZMVEIRTSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000669420170 486139197 /nfs/dbraw/zinc/13/91/97/486139197.db2.gz COEOTGWHLIUWIM-AEFFLSMTSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000133722602 491221967 /nfs/dbraw/zinc/22/19/67/491221967.db2.gz BWDWTCUIRLGPGD-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133722602 491221969 /nfs/dbraw/zinc/22/19/69/491221969.db2.gz BWDWTCUIRLGPGD-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)cn1 ZINC000080151274 491171338 /nfs/dbraw/zinc/17/13/38/491171338.db2.gz VQSGIIDOKLDUAP-CQSZACIVSA-N 2 1 334.424 1.462 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000669007184 491184102 /nfs/dbraw/zinc/18/41/02/491184102.db2.gz AZLXKPXRIUIRHM-QXSJWSMHSA-N 2 1 326.485 1.255 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654440363 501051942 /nfs/dbraw/zinc/05/19/42/501051942.db2.gz GVWICVKDZNGGTN-CABCVRRESA-N 2 1 326.510 1.351 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654440363 501051944 /nfs/dbraw/zinc/05/19/44/501051944.db2.gz GVWICVKDZNGGTN-CABCVRRESA-N 2 1 326.510 1.351 20 0 EDADMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000174632522 533888194 /nfs/dbraw/zinc/88/81/94/533888194.db2.gz RZFOEUWHOFLLAZ-KRWDZBQOSA-N 2 1 344.503 1.655 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000155099060 533960926 /nfs/dbraw/zinc/96/09/26/533960926.db2.gz XBYYUNIZEQCAGU-WMZOPIPTSA-N 2 1 348.491 1.557 20 0 EDADMP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000188702260 526574349 /nfs/dbraw/zinc/57/43/49/526574349.db2.gz CCANGYMBMHEYCN-UHFFFAOYSA-N 2 1 339.443 1.056 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000173711030 528249788 /nfs/dbraw/zinc/24/97/88/528249788.db2.gz OKOKUOHYKJDPCR-QGZVFWFLSA-N 2 1 344.459 1.513 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000173711030 528249793 /nfs/dbraw/zinc/24/97/93/528249793.db2.gz OKOKUOHYKJDPCR-QGZVFWFLSA-N 2 1 344.459 1.513 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000333869214 534996639 /nfs/dbraw/zinc/99/66/39/534996639.db2.gz BJJIJEOZCOTVLG-WMZOPIPTSA-N 2 1 338.496 1.128 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCS[C@@H](C)CC2)C1 ZINC000249131114 535108917 /nfs/dbraw/zinc/10/89/17/535108917.db2.gz YAEZCXWOIPXDSJ-HOTGVXAUSA-N 2 1 343.537 1.287 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCS[C@@H](C)CC2)C1 ZINC000249131114 535108920 /nfs/dbraw/zinc/10/89/20/535108920.db2.gz YAEZCXWOIPXDSJ-HOTGVXAUSA-N 2 1 343.537 1.287 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCS[C@@H](C)CC2)C1 ZINC000249131114 535108922 /nfs/dbraw/zinc/10/89/22/535108922.db2.gz YAEZCXWOIPXDSJ-HOTGVXAUSA-N 2 1 343.537 1.287 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)[C@H](C)C2)C1 ZINC000246061037 535119036 /nfs/dbraw/zinc/11/90/36/535119036.db2.gz YJIOQAQYPOGSIO-GVDBMIGSSA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)[C@H](C)C2)C1 ZINC000246061037 535119039 /nfs/dbraw/zinc/11/90/39/535119039.db2.gz YJIOQAQYPOGSIO-GVDBMIGSSA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C)[C@H](C)C2)C1 ZINC000246061037 535119047 /nfs/dbraw/zinc/11/90/47/535119047.db2.gz YJIOQAQYPOGSIO-GVDBMIGSSA-N 2 1 325.497 1.437 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000249861607 535322981 /nfs/dbraw/zinc/32/29/81/535322981.db2.gz ALEPCXCUQFTWGK-IRXDYDNUSA-N 2 1 325.497 1.868 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000042286521 535520711 /nfs/dbraw/zinc/52/07/11/535520711.db2.gz VMSPGLOMGLAUNX-CQSZACIVSA-N 2 1 337.464 1.005 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000042286521 535520717 /nfs/dbraw/zinc/52/07/17/535520717.db2.gz VMSPGLOMGLAUNX-CQSZACIVSA-N 2 1 337.464 1.005 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC1CCC1 ZINC000346434784 535596051 /nfs/dbraw/zinc/59/60/51/535596051.db2.gz JRZZRQAMZDVNGX-KRWDZBQOSA-N 2 1 345.553 1.854 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC1CCC1 ZINC000346434784 535596055 /nfs/dbraw/zinc/59/60/55/535596055.db2.gz JRZZRQAMZDVNGX-KRWDZBQOSA-N 2 1 345.553 1.854 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000247489761 535597299 /nfs/dbraw/zinc/59/72/99/535597299.db2.gz LLQVTIAPDQYSDA-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000247489761 535597304 /nfs/dbraw/zinc/59/73/04/535597304.db2.gz LLQVTIAPDQYSDA-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000248027079 535685272 /nfs/dbraw/zinc/68/52/72/535685272.db2.gz JTYVEXYZCOLMKT-ICSRJNTNSA-N 2 1 344.503 1.576 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000248027079 535685276 /nfs/dbraw/zinc/68/52/76/535685276.db2.gz JTYVEXYZCOLMKT-ICSRJNTNSA-N 2 1 344.503 1.576 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000248027079 535685281 /nfs/dbraw/zinc/68/52/81/535685281.db2.gz JTYVEXYZCOLMKT-ICSRJNTNSA-N 2 1 344.503 1.576 20 0 EDADMP CC[C@@H](NC(=O)NCC[NH+](C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133889492 535793177 /nfs/dbraw/zinc/79/31/77/535793177.db2.gz MQULVBVEAXEHBU-MSOLQXFVSA-N 2 1 348.491 1.527 20 0 EDADMP CC[C@@H](NC(=O)NCC[NH+](C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133889492 535793178 /nfs/dbraw/zinc/79/31/78/535793178.db2.gz MQULVBVEAXEHBU-MSOLQXFVSA-N 2 1 348.491 1.527 20 0 EDADMP CC[C@@H](NC(=O)NCC[NH+](C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133889929 535793271 /nfs/dbraw/zinc/79/32/71/535793271.db2.gz MQULVBVEAXEHBU-QZTJIDSGSA-N 2 1 348.491 1.527 20 0 EDADMP CC[C@@H](NC(=O)NCC[NH+](C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133889929 535793272 /nfs/dbraw/zinc/79/32/72/535793272.db2.gz MQULVBVEAXEHBU-QZTJIDSGSA-N 2 1 348.491 1.527 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000261943534 536110135 /nfs/dbraw/zinc/11/01/35/536110135.db2.gz VFMDVQLFKXWEEU-XYPWUTKMSA-N 2 1 337.489 1.652 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000261943534 536110138 /nfs/dbraw/zinc/11/01/38/536110138.db2.gz VFMDVQLFKXWEEU-XYPWUTKMSA-N 2 1 337.489 1.652 20 0 EDADMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCCc1ccccc1 ZINC000352769841 536347136 /nfs/dbraw/zinc/34/71/36/536347136.db2.gz LENPXTWNJUVLSD-UHFFFAOYSA-N 2 1 346.519 1.305 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCCc1ccccc1 ZINC000352769841 536347139 /nfs/dbraw/zinc/34/71/39/536347139.db2.gz LENPXTWNJUVLSD-UHFFFAOYSA-N 2 1 346.519 1.305 20 0 EDADMP C[NH2+][C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1cnn(C)c1 ZINC000262515685 536384108 /nfs/dbraw/zinc/38/41/08/536384108.db2.gz KDBRQODTBNKNSW-SFHVURJKSA-N 2 1 341.459 1.593 20 0 EDADMP C[NH2+][C@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)c1cnn(C)c1 ZINC000262387482 536384586 /nfs/dbraw/zinc/38/45/86/536384586.db2.gz NVJZIQIHPRKDSS-SFHVURJKSA-N 2 1 343.475 1.837 20 0 EDADMP C[NH2+][C@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)c1cnn(C)c1 ZINC000262387482 536384590 /nfs/dbraw/zinc/38/45/90/536384590.db2.gz NVJZIQIHPRKDSS-SFHVURJKSA-N 2 1 343.475 1.837 20 0 EDADMP C[NH+]1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000339639952 536404745 /nfs/dbraw/zinc/40/47/45/536404745.db2.gz UPUVUPBNIATKNT-UHFFFAOYSA-N 2 1 334.439 1.747 20 0 EDADMP COCCOc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C1)OCO2 ZINC000346830920 536602509 /nfs/dbraw/zinc/60/25/09/536602509.db2.gz PPXGTYHFVDAUKU-NWANDNLSSA-N 2 1 334.416 1.610 20 0 EDADMP COCCOc1cc2c(cc1C[N@H+]1C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C1)OCO2 ZINC000346830920 536602515 /nfs/dbraw/zinc/60/25/15/536602515.db2.gz PPXGTYHFVDAUKU-NWANDNLSSA-N 2 1 334.416 1.610 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC000740847881 579386587 /nfs/dbraw/zinc/38/65/87/579386587.db2.gz ZOXQUISQOQFQOB-SFHVURJKSA-N 2 1 345.487 1.832 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC000740847881 579386588 /nfs/dbraw/zinc/38/65/88/579386588.db2.gz ZOXQUISQOQFQOB-SFHVURJKSA-N 2 1 345.487 1.832 20 0 EDADMP Cc1cc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000729184080 578560669 /nfs/dbraw/zinc/56/06/69/578560669.db2.gz AEBLLCGLLUIWEE-UHFFFAOYSA-N 2 1 340.475 1.621 20 0 EDADMP Cc1nccn1-c1ncccc1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000731120302 578668047 /nfs/dbraw/zinc/66/80/47/578668047.db2.gz UIGFAJOVUWKREB-OAHLLOKOSA-N 2 1 342.447 1.717 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000731120302 578668048 /nfs/dbraw/zinc/66/80/48/578668048.db2.gz UIGFAJOVUWKREB-OAHLLOKOSA-N 2 1 342.447 1.717 20 0 EDADMP C[C@H](CNC(=S)NCC1CC[NH+](C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000760474303 580031539 /nfs/dbraw/zinc/03/15/39/580031539.db2.gz ILHRORNBYVTCHC-HUUCEWRRSA-N 2 1 326.554 1.913 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCC1([NH+](C)C)CCOCC1 ZINC000733754970 578783666 /nfs/dbraw/zinc/78/36/66/578783666.db2.gz ZGAOWLFXTDDUNZ-AWEZNQCLSA-N 2 1 328.526 1.046 20 0 EDADMP C[C@H](C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)[N@@H+](C)Cc1ccccc1 ZINC000735855716 578929410 /nfs/dbraw/zinc/92/94/10/578929410.db2.gz NVLDCQMMOPIJSG-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+](C)Cc1ccccc1 ZINC000735855716 578929411 /nfs/dbraw/zinc/92/94/11/578929411.db2.gz NVLDCQMMOPIJSG-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H](C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[NH+](C)Cc1ccccc1 ZINC000735855716 578929412 /nfs/dbraw/zinc/92/94/12/578929412.db2.gz NVLDCQMMOPIJSG-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP CCOCCNC(=S)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000751012646 579791301 /nfs/dbraw/zinc/79/13/01/579791301.db2.gz YAIVIDSVYWYBLR-OAHLLOKOSA-N 2 1 330.542 1.245 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000753919775 579891097 /nfs/dbraw/zinc/89/10/97/579891097.db2.gz WDZHYGPYSVDTEQ-AEFFLSMTSA-N 2 1 331.460 1.660 20 0 EDADMP C[NH+](C)CCCNC(=S)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000763137309 580093781 /nfs/dbraw/zinc/09/37/81/580093781.db2.gz GWZZGBLQJAGRKN-HUUCEWRRSA-N 2 1 328.526 1.046 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)NCc1ccon1 ZINC000764461613 580120775 /nfs/dbraw/zinc/12/07/75/580120775.db2.gz FYRYBTSOTBKGJE-OAHLLOKOSA-N 2 1 339.509 1.397 20 0 EDADMP COC(=O)COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000767873465 580202571 /nfs/dbraw/zinc/20/25/71/580202571.db2.gz CHCTVXDYBCFDKO-ZBFHGGJFSA-N 2 1 336.432 1.346 20 0 EDADMP CC[NH+]1CCN(c2nc(C)nc(N3CC[N@H+](CC)[C@H](C)C3)n2)C[C@H]1C ZINC000775513760 580392694 /nfs/dbraw/zinc/39/26/94/580392694.db2.gz LYFORVNOBCEEPF-HUUCEWRRSA-N 2 1 347.511 1.241 20 0 EDADMP Cc1ccc(NC(=O)CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)cc1C ZINC000779650989 580492907 /nfs/dbraw/zinc/49/29/07/580492907.db2.gz BRYOZBJNIDQVIY-MRXNPFEDSA-N 2 1 348.447 1.850 20 0 EDADMP Cc1ccc(NC(=O)CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)cc1C ZINC000779650989 580492908 /nfs/dbraw/zinc/49/29/08/580492908.db2.gz BRYOZBJNIDQVIY-MRXNPFEDSA-N 2 1 348.447 1.850 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=S)NCC(C)(C)C[NH+](C)C ZINC000780209532 580516179 /nfs/dbraw/zinc/51/61/79/580516179.db2.gz ZGVWWYMYTVHQOQ-CQSZACIVSA-N 2 1 344.569 1.226 20 0 EDADMP COC(=O)c1ccccc1CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000784058226 580612887 /nfs/dbraw/zinc/61/28/87/580612887.db2.gz BKRBRAIISDSQDG-HNNXBMFYSA-N 2 1 335.404 1.581 20 0 EDADMP COC(=O)c1ccccc1CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000784058226 580612888 /nfs/dbraw/zinc/61/28/88/580612888.db2.gz BKRBRAIISDSQDG-HNNXBMFYSA-N 2 1 335.404 1.581 20 0 EDADMP C[C@]1(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+](Cc2ccccc2)C1 ZINC000891875536 590665112 /nfs/dbraw/zinc/66/51/12/590665112.db2.gz UWXLFHKENJCWFR-JENIJYKNSA-N 2 1 328.460 1.654 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000891881535 590668616 /nfs/dbraw/zinc/66/86/16/590668616.db2.gz GXECGOOCRZDMGL-ROUUACIJSA-N 2 1 328.460 1.390 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000891881535 590668617 /nfs/dbraw/zinc/66/86/17/590668617.db2.gz GXECGOOCRZDMGL-ROUUACIJSA-N 2 1 328.460 1.390 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000891881535 590668618 /nfs/dbraw/zinc/66/86/18/590668618.db2.gz GXECGOOCRZDMGL-ROUUACIJSA-N 2 1 328.460 1.390 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000892055265 590774963 /nfs/dbraw/zinc/77/49/63/590774963.db2.gz XNKGHOSPXSGJOB-HHXXYDBFSA-N 2 1 330.476 1.887 20 0 EDADMP C[C@@]12CN(C(=O)NC/C=C/C[NH3+])C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000892122849 590812257 /nfs/dbraw/zinc/81/22/57/590812257.db2.gz VASDVWJEPYLMDD-IIMPKJCBSA-N 2 1 328.460 1.665 20 0 EDADMP Cc1[nH+]ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1Br ZINC000892142347 590819819 /nfs/dbraw/zinc/81/98/19/590819819.db2.gz GCUUJOHGXQBOOW-NWDGAFQWSA-N 2 1 326.238 1.850 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000890883204 590831101 /nfs/dbraw/zinc/83/11/01/590831101.db2.gz MTEOQGXFTFQCAR-FQEVSTJZSA-N 2 1 347.503 1.670 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1ccc(F)cc1 ZINC000892164946 590835876 /nfs/dbraw/zinc/83/58/76/590835876.db2.gz NSLKXGRKCPOZRX-XIRDDKMYSA-N 2 1 334.439 1.774 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CC[C@@H]21 ZINC000892190273 590855877 /nfs/dbraw/zinc/85/58/77/590855877.db2.gz XSPWRIXNDQIZHM-FLRQUGKWSA-N 2 1 346.519 1.876 20 0 EDADMP C[C@@H](CNC(=O)N(C)CCCCCC[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232398 590877701 /nfs/dbraw/zinc/87/77/01/590877701.db2.gz KRIKUBFDJUUFAN-HRCADAONSA-N 2 1 328.501 1.645 20 0 EDADMP C[C@@H](CNC(=O)N(C)CCCCCC[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232398 590877703 /nfs/dbraw/zinc/87/77/03/590877703.db2.gz KRIKUBFDJUUFAN-HRCADAONSA-N 2 1 328.501 1.645 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC[N@H+](C2CC2)C1 ZINC000892332198 590959389 /nfs/dbraw/zinc/95/93/89/590959389.db2.gz LWWSIYLYOSWWTB-HNNXBMFYSA-N 2 1 342.487 1.958 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892493682 591048404 /nfs/dbraw/zinc/04/84/04/591048404.db2.gz PQUMYTSPMFHWRP-HNNXBMFYSA-N 2 1 340.512 1.517 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892493682 591048407 /nfs/dbraw/zinc/04/84/07/591048407.db2.gz PQUMYTSPMFHWRP-HNNXBMFYSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1CC[N@H+](CCNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000893699123 591051553 /nfs/dbraw/zinc/05/15/53/591051553.db2.gz GMOMATLNMDTGDN-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000893699123 591051558 /nfs/dbraw/zinc/05/15/58/591051558.db2.gz GMOMATLNMDTGDN-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP CN(C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000893699471 591052745 /nfs/dbraw/zinc/05/27/45/591052745.db2.gz MVPXVOBAFZQSDY-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP CN(C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CCC[N@H+](C)C1 ZINC000893699471 591052749 /nfs/dbraw/zinc/05/27/49/591052749.db2.gz MVPXVOBAFZQSDY-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000891360243 591059631 /nfs/dbraw/zinc/05/96/31/591059631.db2.gz HUIFGEVQBHYNSA-ULQDDVLXSA-N 2 1 345.491 1.234 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892535838 591063109 /nfs/dbraw/zinc/06/31/09/591063109.db2.gz IWIWKEJMCNFXCI-QGZVFWFLSA-N 2 1 348.491 1.622 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892535838 591063115 /nfs/dbraw/zinc/06/31/15/591063115.db2.gz IWIWKEJMCNFXCI-QGZVFWFLSA-N 2 1 348.491 1.622 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892556189 591071030 /nfs/dbraw/zinc/07/10/30/591071030.db2.gz MHTFGBYYMNYPQX-DJIMGWMZSA-N 2 1 349.479 1.068 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000892556189 591071034 /nfs/dbraw/zinc/07/10/34/591071034.db2.gz MHTFGBYYMNYPQX-DJIMGWMZSA-N 2 1 349.479 1.068 20 0 EDADMP Cc1ccc([C@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000892625984 591101269 /nfs/dbraw/zinc/10/12/69/591101269.db2.gz KFFDYHQTSUOLDY-BBWFWOEESA-N 2 1 346.475 1.928 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1CCCC1 ZINC000891517876 591103295 /nfs/dbraw/zinc/10/32/95/591103295.db2.gz MQIWADAQWXSISP-KRWDZBQOSA-N 2 1 330.476 1.875 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891536518 591113931 /nfs/dbraw/zinc/11/39/31/591113931.db2.gz SRKFRNHHMRHNIN-DGCLKSJQSA-N 2 1 329.395 1.372 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891685495 591184719 /nfs/dbraw/zinc/18/47/19/591184719.db2.gz MBUYMUOFOZYCIJ-KYHPRHEASA-N 2 1 336.480 1.214 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCCC(C)(C)[NH3+])C[C@@H](C)O1 ZINC000892858059 591206892 /nfs/dbraw/zinc/20/68/92/591206892.db2.gz DQJMYVFRZMNWHG-RBSFLKMASA-N 2 1 326.485 1.397 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891798378 591227932 /nfs/dbraw/zinc/22/79/32/591227932.db2.gz MOUCVKNKGOSEDX-OWLYRPNTSA-N 2 1 328.460 1.653 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892951726 591237553 /nfs/dbraw/zinc/23/75/53/591237553.db2.gz QSAYBTBQDPIJBV-ARFHVFGLSA-N 2 1 330.444 1.447 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc2nonc2c1 ZINC000895666567 591246618 /nfs/dbraw/zinc/24/66/18/591246618.db2.gz OCHGOCMKHUUAJF-ZDUSSCGKSA-N 2 1 348.451 1.294 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc2nonc2c1 ZINC000895666567 591246619 /nfs/dbraw/zinc/24/66/19/591246619.db2.gz OCHGOCMKHUUAJF-ZDUSSCGKSA-N 2 1 348.451 1.294 20 0 EDADMP C[C@@H]1CSCCCN1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000893021718 591257795 /nfs/dbraw/zinc/25/77/95/591257795.db2.gz GRNRPCPDPCFJLQ-HUUCEWRRSA-N 2 1 340.537 1.692 20 0 EDADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3C(=O)NCC34CCOCC4)CC2)C1 ZINC000895771277 591269273 /nfs/dbraw/zinc/26/92/73/591269273.db2.gz JMNHRSIPEPJHCJ-NJAFHUGGSA-N 2 1 349.519 1.914 20 0 EDADMP O=C1NCCN1CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895815120 591279705 /nfs/dbraw/zinc/27/97/05/591279705.db2.gz WZFLBJCEYBHCLU-SJLPKXTDSA-N 2 1 328.460 1.969 20 0 EDADMP O=C1NCCN1CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895815120 591279706 /nfs/dbraw/zinc/27/97/06/591279706.db2.gz WZFLBJCEYBHCLU-SJLPKXTDSA-N 2 1 328.460 1.969 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000897376695 591353446 /nfs/dbraw/zinc/35/34/46/591353446.db2.gz CWVGBYWBLXOTLE-SOUVJXGZSA-N 2 1 325.522 1.897 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000897376695 591353449 /nfs/dbraw/zinc/35/34/49/591353449.db2.gz CWVGBYWBLXOTLE-SOUVJXGZSA-N 2 1 325.522 1.897 20 0 EDADMP C[NH+]1CCC(C[N@H+]2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000894817521 591427886 /nfs/dbraw/zinc/42/78/86/591427886.db2.gz SCUFVUGUZKWGEC-INIZCTEOSA-N 2 1 341.496 1.944 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000898663960 591461010 /nfs/dbraw/zinc/46/10/10/591461010.db2.gz AIFSLWXPPAQQNO-ZWKOTPCHSA-N 2 1 345.487 1.742 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000898663960 591461011 /nfs/dbraw/zinc/46/10/11/591461011.db2.gz AIFSLWXPPAQQNO-ZWKOTPCHSA-N 2 1 345.487 1.742 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000898663960 591461012 /nfs/dbraw/zinc/46/10/12/591461012.db2.gz AIFSLWXPPAQQNO-ZWKOTPCHSA-N 2 1 345.487 1.742 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)N[C@H]3CCC[NH+]4CCSC[C@H]34)C[C@]2(C)C1 ZINC000896610954 591547915 /nfs/dbraw/zinc/54/79/15/591547915.db2.gz ZQHOSTLCGRKFLF-DLTWYDFYSA-N 2 1 338.521 1.159 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)C[C@]2(C)C1 ZINC000896610954 591547918 /nfs/dbraw/zinc/54/79/18/591547918.db2.gz ZQHOSTLCGRKFLF-DLTWYDFYSA-N 2 1 338.521 1.159 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@H]3CCC[N@H+]4CCSC[C@H]34)C[C@]2(C)C1 ZINC000896610954 591547919 /nfs/dbraw/zinc/54/79/19/591547919.db2.gz ZQHOSTLCGRKFLF-DLTWYDFYSA-N 2 1 338.521 1.159 20 0 EDADMP C[NH+]1CCC2(CCN2C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000896749210 591602738 /nfs/dbraw/zinc/60/27/38/591602738.db2.gz OQMYMJGBXQGBGL-MRXNPFEDSA-N 2 1 336.480 1.119 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000897695949 591620987 /nfs/dbraw/zinc/62/09/87/591620987.db2.gz WJPUEKSZBYCMFT-KSSFIOAISA-N 2 1 341.496 1.821 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897752408 591643206 /nfs/dbraw/zinc/64/32/06/591643206.db2.gz ZWQVOUHBGSCPQM-MRXNPFEDSA-N 2 1 335.448 1.281 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCCc2nnnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000898040016 591766030 /nfs/dbraw/zinc/76/60/30/591766030.db2.gz MOBMYLQMTVZYMH-DOTOQJQBSA-N 2 1 328.464 1.785 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCCc2nnnn2C)CC[N@H+]1Cc1ccccc1 ZINC000898040016 591766032 /nfs/dbraw/zinc/76/60/32/591766032.db2.gz MOBMYLQMTVZYMH-DOTOQJQBSA-N 2 1 328.464 1.785 20 0 EDADMP c1nc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc(N2CCOCC2)n1 ZINC000895571642 591804485 /nfs/dbraw/zinc/80/44/85/591804485.db2.gz KMNXCMPJNJWGKK-KGLIPLIRSA-N 2 1 335.477 1.305 20 0 EDADMP c1nc(N[C@@H]2CCCN3CCSC[C@@H]23)cc(N2CCOCC2)n1 ZINC000895571642 591804486 /nfs/dbraw/zinc/80/44/86/591804486.db2.gz KMNXCMPJNJWGKK-KGLIPLIRSA-N 2 1 335.477 1.305 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000899446356 591807347 /nfs/dbraw/zinc/80/73/47/591807347.db2.gz GKRNNPMIJKBHFN-IPMKNSEASA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000899446356 591807350 /nfs/dbraw/zinc/80/73/50/591807350.db2.gz GKRNNPMIJKBHFN-IPMKNSEASA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000899446356 591807353 /nfs/dbraw/zinc/80/73/53/591807353.db2.gz GKRNNPMIJKBHFN-IPMKNSEASA-N 2 1 327.472 1.919 20 0 EDADMP O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900050986 591883634 /nfs/dbraw/zinc/88/36/34/591883634.db2.gz KMLBQWQRUOXZQU-IRXDYDNUSA-N 2 1 344.459 1.551 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)c1ccsc1 ZINC000900192587 591936262 /nfs/dbraw/zinc/93/62/62/591936262.db2.gz PDDGVIBXEFYISW-ZMSDIMECSA-N 2 1 339.505 1.702 20 0 EDADMP COc1c[nH]c(CO)c(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1=O ZINC000902169038 591937375 /nfs/dbraw/zinc/93/73/75/591937375.db2.gz BWOOGNUMAHHLQZ-AWEZNQCLSA-N 2 1 335.448 1.040 20 0 EDADMP CCN(CC)c1ccc(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cn1 ZINC000900229115 591956435 /nfs/dbraw/zinc/95/64/35/591956435.db2.gz JLWYGFJXHIMIMR-GOSISDBHSA-N 2 1 334.464 1.391 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)C2(O)CCOCC2)cc1F ZINC000899876378 591969404 /nfs/dbraw/zinc/96/94/04/591969404.db2.gz RWRPBCWEHKXEAN-QGZVFWFLSA-N 2 1 349.406 1.312 20 0 EDADMP COCC[C@@H]1CCN(C[N@H+](CCOC)CC2CC[NH+](C)CC2)C1=O ZINC000902347760 591978254 /nfs/dbraw/zinc/97/82/54/591978254.db2.gz VGFDMRKXVGHGOQ-KRWDZBQOSA-N 2 1 341.496 1.119 20 0 EDADMP COCC[C@@H]1CCN(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)C1=O ZINC000902347760 591978255 /nfs/dbraw/zinc/97/82/55/591978255.db2.gz VGFDMRKXVGHGOQ-KRWDZBQOSA-N 2 1 341.496 1.119 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C1([NH3+])CC1 ZINC000902353228 591985543 /nfs/dbraw/zinc/98/55/43/591985543.db2.gz XPOJARSHFKNBNU-QLFBSQMISA-N 2 1 331.460 1.905 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1([NH3+])CC1 ZINC000902391472 591990178 /nfs/dbraw/zinc/99/01/78/591990178.db2.gz XIQNTNLNONCPHJ-CQSZACIVSA-N 3 1 330.476 1.353 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1(N)CC1 ZINC000902391472 591990181 /nfs/dbraw/zinc/99/01/81/591990181.db2.gz XIQNTNLNONCPHJ-CQSZACIVSA-N 2 1 330.476 1.353 20 0 EDADMP Cc1ccc([C@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000900406221 592009767 /nfs/dbraw/zinc/00/97/67/592009767.db2.gz PBWXCDDHMPSTMQ-HKUYNNGSSA-N 2 1 333.476 1.561 20 0 EDADMP Cc1ccc([C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000900435086 592017685 /nfs/dbraw/zinc/01/76/85/592017685.db2.gz CWWDPYSTLQIVEA-CMKODMSKSA-N 2 1 345.487 1.703 20 0 EDADMP Cc1ccc([C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)[NH+]2CCCC2)cc1 ZINC000900435086 592017686 /nfs/dbraw/zinc/01/76/86/592017686.db2.gz CWWDPYSTLQIVEA-CMKODMSKSA-N 2 1 345.487 1.703 20 0 EDADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000902927528 592085599 /nfs/dbraw/zinc/08/55/99/592085599.db2.gz HZZIFTSVOATSOJ-QAPCUYQASA-N 2 1 345.491 1.961 20 0 EDADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000900761282 592109258 /nfs/dbraw/zinc/10/92/58/592109258.db2.gz QCHVSQIERKIHPI-MSOLQXFVSA-N 2 1 335.492 1.574 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCO[C@]23CCOC3)C1 ZINC000903148025 592128912 /nfs/dbraw/zinc/12/89/12/592128912.db2.gz PBYOZGQDZZINGB-QYZOEREBSA-N 2 1 332.444 1.291 20 0 EDADMP CC(C)O[C@@]1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCOC1 ZINC000903357885 592157976 /nfs/dbraw/zinc/15/79/76/592157976.db2.gz PUILIYHFIPLPQV-QZTJIDSGSA-N 2 1 326.481 1.804 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)CC1 ZINC000903443609 592172566 /nfs/dbraw/zinc/17/25/66/592172566.db2.gz FIDBWQDXMPQHJJ-AEFFLSMTSA-N 3 1 336.524 1.108 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)c1ccccc1)C2 ZINC000903491768 592185102 /nfs/dbraw/zinc/18/51/02/592185102.db2.gz AEZONZMKVHLQRD-ZTENYAIWSA-N 2 1 345.443 1.250 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCOCCOc1ccccc1)C2 ZINC000903492705 592185531 /nfs/dbraw/zinc/18/55/31/592185531.db2.gz QLOIWWXSDKEMIL-FCEWJHQRSA-N 2 1 348.443 1.294 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497196 592188369 /nfs/dbraw/zinc/18/83/69/592188369.db2.gz PUESBLVEXBXILK-MGPQQGTHSA-N 2 1 339.430 1.929 20 0 EDADMP Cn1c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)nnc1C1CC1 ZINC000903508659 592189215 /nfs/dbraw/zinc/18/92/15/592189215.db2.gz PQICIGOPPBTZQH-IYBDPMFKSA-N 2 1 330.480 1.093 20 0 EDADMP O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)Nc1cccc(F)c1 ZINC000903511753 592191132 /nfs/dbraw/zinc/19/11/32/592191132.db2.gz YDOOAGNWOQPPNZ-HDICACEKSA-N 2 1 346.450 1.665 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NCCCCCC2CC[NH2+]CC2)CC1 ZINC000903561586 592210327 /nfs/dbraw/zinc/21/03/27/592210327.db2.gz KOVMWMNAYRUAIK-UHFFFAOYSA-N 2 1 331.526 1.560 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906656747 592239188 /nfs/dbraw/zinc/23/91/88/592239188.db2.gz TWYMKLZREAFASI-ZDUSSCGKSA-N 2 1 332.448 1.419 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000901103928 592245962 /nfs/dbraw/zinc/24/59/62/592245962.db2.gz ITRGGQSDBLNVFE-ROUUACIJSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000901103928 592245967 /nfs/dbraw/zinc/24/59/67/592245967.db2.gz ITRGGQSDBLNVFE-ROUUACIJSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000901103928 592245969 /nfs/dbraw/zinc/24/59/69/592245969.db2.gz ITRGGQSDBLNVFE-ROUUACIJSA-N 2 1 336.524 1.345 20 0 EDADMP CN(C)c1nccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000904472973 592268841 /nfs/dbraw/zinc/26/88/41/592268841.db2.gz HHDVAQKXMWMCKC-LPHOPBHVSA-N 2 1 339.443 1.888 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904509713 592273836 /nfs/dbraw/zinc/27/38/36/592273836.db2.gz JYWINTUYHBGAKO-SJORKVTESA-N 2 1 332.448 1.469 20 0 EDADMP CCC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000903717920 592280721 /nfs/dbraw/zinc/28/07/21/592280721.db2.gz FWDUCZSFUGMUJL-CABCVRRESA-N 2 1 330.494 1.044 20 0 EDADMP CCC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000903717920 592280722 /nfs/dbraw/zinc/28/07/22/592280722.db2.gz FWDUCZSFUGMUJL-CABCVRRESA-N 2 1 330.494 1.044 20 0 EDADMP Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903723221 592284214 /nfs/dbraw/zinc/28/42/14/592284214.db2.gz FZCXJATWRVODPM-AZUAARDMSA-N 2 1 343.471 1.521 20 0 EDADMP O=S(=O)(CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1 ZINC000903749668 592294300 /nfs/dbraw/zinc/29/43/00/592294300.db2.gz ODWGCAGZKFUOOX-HOTGVXAUSA-N 2 1 337.489 1.750 20 0 EDADMP CC(C)COC(=O)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903752294 592295099 /nfs/dbraw/zinc/29/50/99/592295099.db2.gz MIQDCNWRCFYLHV-MRXNPFEDSA-N 2 1 339.480 1.555 20 0 EDADMP COC(=O)CC[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753780 592296586 /nfs/dbraw/zinc/29/65/86/592296586.db2.gz YDCNMFTUJWECBW-HOTGVXAUSA-N 2 1 340.464 1.189 20 0 EDADMP Cc1noc([C@H](C)N2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903739351 592302378 /nfs/dbraw/zinc/30/23/78/592302378.db2.gz HUKVDGIZPXKHRS-HOCLYGCPSA-N 2 1 349.479 1.215 20 0 EDADMP Cc1csc(N2CC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@H]2C)n1 ZINC000903740844 592303428 /nfs/dbraw/zinc/30/34/28/592303428.db2.gz ZWGUNHHNKYGCGN-HLLBOEOZSA-N 2 1 336.505 1.731 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000906741821 592306748 /nfs/dbraw/zinc/30/67/48/592306748.db2.gz XIMVZSPGBAWBPD-IAGOWNOFSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]1CC2(C[N@H+]1CCS(=O)(=O)Nc1ccccc1)CC[NH2+]CC2 ZINC000903763795 592307435 /nfs/dbraw/zinc/30/74/35/592307435.db2.gz NBJGVZUPKFKFDT-HNNXBMFYSA-N 2 1 337.489 1.892 20 0 EDADMP COC(=O)/C=C\c1ccc(OCC[N@H+](C)C2(C[NH3+])CCOCC2)cc1 ZINC000903809555 592330168 /nfs/dbraw/zinc/33/01/68/592330168.db2.gz DMRDVKMDMZNVSQ-YVMONPNESA-N 2 1 348.443 1.691 20 0 EDADMP COC(=O)/C=C\c1ccc(OCC[N@@H+](C)C2(C[NH3+])CCOCC2)cc1 ZINC000903809555 592330172 /nfs/dbraw/zinc/33/01/72/592330172.db2.gz DMRDVKMDMZNVSQ-YVMONPNESA-N 2 1 348.443 1.691 20 0 EDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000903854309 592346302 /nfs/dbraw/zinc/34/63/02/592346302.db2.gz JDMARHBGMDSHEG-YJBOKZPZSA-N 2 1 330.432 1.216 20 0 EDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000903854309 592346306 /nfs/dbraw/zinc/34/63/06/592346306.db2.gz JDMARHBGMDSHEG-YJBOKZPZSA-N 2 1 330.432 1.216 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])CN2CC[NH+](Cc3cccs3)CC2)cnn1C ZINC000903877787 592358503 /nfs/dbraw/zinc/35/85/03/592358503.db2.gz QEPGJEYICHFPGH-INIZCTEOSA-N 2 1 347.532 1.725 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)C1 ZINC000906878486 592379734 /nfs/dbraw/zinc/37/97/34/592379734.db2.gz FYTAOJPNMGXKFH-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)C1 ZINC000906878486 592379740 /nfs/dbraw/zinc/37/97/40/592379740.db2.gz FYTAOJPNMGXKFH-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CCn1cc(C[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C(C)C)cn1 ZINC000903933180 592384480 /nfs/dbraw/zinc/38/44/80/592384480.db2.gz ZUEWXVBNHHIONS-MRXNPFEDSA-N 2 1 332.496 1.973 20 0 EDADMP COC(=O)CC[C@H]1CCC[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903937037 592388114 /nfs/dbraw/zinc/38/81/14/592388114.db2.gz AHXOFBZIYSGMTO-CVEARBPZSA-N 2 1 336.480 1.511 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCCC[C@]4(CC[NH2+]C4)C3)cn2)CC1 ZINC000903959104 592390530 /nfs/dbraw/zinc/39/05/30/592390530.db2.gz AKKJNIBVEMSVEM-LJQANCHMSA-N 2 1 344.507 1.194 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC1=Cc3ccccc3OC1)C2 ZINC000903976998 592398388 /nfs/dbraw/zinc/39/83/88/592398388.db2.gz HBSLJABCTUHLJQ-FCEWJHQRSA-N 2 1 328.412 1.675 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1c(C)nc3sc(C)nn13)C2 ZINC000903978410 592399282 /nfs/dbraw/zinc/39/92/82/592399282.db2.gz DRWDLZWRORGIJV-OZVIIMIRSA-N 2 1 349.460 1.120 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc3ncccc3c1)C2 ZINC000903979065 592400389 /nfs/dbraw/zinc/40/03/89/592400389.db2.gz UPYYFRSPZFQBCU-FCEWJHQRSA-N 2 1 325.412 1.947 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cnn1C ZINC000903986707 592405937 /nfs/dbraw/zinc/40/59/37/592405937.db2.gz PXJQNZNIEQRRBQ-HFTRVMKXSA-N 2 1 349.479 1.056 20 0 EDADMP O[C@@H](CCC1(O)CCC1)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000905095371 592419994 /nfs/dbraw/zinc/41/99/94/592419994.db2.gz SWHNPXNCJSRQDB-INIZCTEOSA-N 2 1 326.481 1.277 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000905355336 592505044 /nfs/dbraw/zinc/50/50/44/592505044.db2.gz CKKOXQGVGUJASX-CQSZACIVSA-N 2 1 329.510 1.120 20 0 EDADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000905342083 592512030 /nfs/dbraw/zinc/51/20/30/592512030.db2.gz FEPFCCWIWBGJRN-NVXWUHKLSA-N 2 1 341.521 1.265 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)COC(C)C)C2)[C@H]1C(C)C ZINC000905502909 592546276 /nfs/dbraw/zinc/54/62/76/592546276.db2.gz LWWOQGYUOZKPMJ-ZKXLYKBJSA-N 2 1 328.497 1.232 20 0 EDADMP CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000905504805 592547007 /nfs/dbraw/zinc/54/70/07/592547007.db2.gz YGJIVLORWBNZDN-NNIGNNQHSA-N 2 1 342.524 1.623 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC1(O)CCCC1)C2 ZINC000905496381 592553692 /nfs/dbraw/zinc/55/36/92/592553692.db2.gz SCZFICBYKOLDTC-PNKHAZJDSA-N 2 1 340.508 1.112 20 0 EDADMP Cc1nc(-c2ccncc2)nc(NCC[NH+]2CCC([NH3+])CC2)c1C ZINC000905704750 592616992 /nfs/dbraw/zinc/61/69/92/592616992.db2.gz KQAARJVVEKMKHQ-UHFFFAOYSA-N 2 1 326.448 1.412 20 0 EDADMP CCc1cc(=O)[nH]c(-c2ccc(NCC[NH+]3CCC([NH3+])CC3)nc2)n1 ZINC000905707105 592618362 /nfs/dbraw/zinc/61/83/62/592618362.db2.gz WOCZHAHVHSSVCS-UHFFFAOYSA-N 2 1 342.447 1.642 20 0 EDADMP CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000907433142 592647554 /nfs/dbraw/zinc/64/75/54/592647554.db2.gz SAHGOCSCOPIZBP-CVEARBPZSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000907433142 592647555 /nfs/dbraw/zinc/64/75/55/592647555.db2.gz SAHGOCSCOPIZBP-CVEARBPZSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000907433142 592647559 /nfs/dbraw/zinc/64/75/59/592647559.db2.gz SAHGOCSCOPIZBP-CVEARBPZSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000907433142 592647561 /nfs/dbraw/zinc/64/75/61/592647561.db2.gz SAHGOCSCOPIZBP-CVEARBPZSA-N 2 1 339.480 1.251 20 0 EDADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[NH+](C)C ZINC000907634767 592735284 /nfs/dbraw/zinc/73/52/84/592735284.db2.gz JLNNNLXTACFFBI-MRHSLFKSSA-N 2 1 333.476 1.558 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000907615067 592741008 /nfs/dbraw/zinc/74/10/08/592741008.db2.gz QCTRXXHDLGODRQ-OAHLLOKOSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000907615067 592741009 /nfs/dbraw/zinc/74/10/09/592741009.db2.gz QCTRXXHDLGODRQ-OAHLLOKOSA-N 2 1 339.480 1.204 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000909261768 592788690 /nfs/dbraw/zinc/78/86/90/592788690.db2.gz NBNXYUAMAXPQHE-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@@H](C)CC)CC2)C1 ZINC000909261556 592788701 /nfs/dbraw/zinc/78/87/01/592788701.db2.gz KPMPAGGBOJWZDC-HOTGVXAUSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@@H](C)CC)CC2)C1 ZINC000909261556 592788702 /nfs/dbraw/zinc/78/87/02/592788702.db2.gz KPMPAGGBOJWZDC-HOTGVXAUSA-N 2 1 339.480 1.204 20 0 EDADMP CC(C)(C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000906440054 592818566 /nfs/dbraw/zinc/81/85/66/592818566.db2.gz BYHOTQYTZURHQY-QGZVFWFLSA-N 2 1 337.508 1.964 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000906521122 592839688 /nfs/dbraw/zinc/83/96/88/592839688.db2.gz PAQISYAYRUENTI-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000910876492 592899441 /nfs/dbraw/zinc/89/94/41/592899441.db2.gz WNISNLKJYHOHKC-NVXWUHKLSA-N 2 1 325.497 1.268 20 0 EDADMP CC(C)[NH+](CCO)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000910876492 592899442 /nfs/dbraw/zinc/89/94/42/592899442.db2.gz WNISNLKJYHOHKC-NVXWUHKLSA-N 2 1 325.497 1.268 20 0 EDADMP CC(C)[NH+](CCO)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000910876492 592899443 /nfs/dbraw/zinc/89/94/43/592899443.db2.gz WNISNLKJYHOHKC-NVXWUHKLSA-N 2 1 325.497 1.268 20 0 EDADMP C[N@H+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C(C)(C)C ZINC000912026172 593049175 /nfs/dbraw/zinc/04/91/75/593049175.db2.gz DXRNSGSJZTWYTK-OAHLLOKOSA-N 2 1 325.497 1.534 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC000912203761 593071556 /nfs/dbraw/zinc/07/15/56/593071556.db2.gz CQAYMGZEHBDJJL-ROUUACIJSA-N 2 1 332.492 1.943 20 0 EDADMP CC[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000912406846 593093744 /nfs/dbraw/zinc/09/37/44/593093744.db2.gz FNXVCUDUHPJLAB-BPQIPLTHSA-N 2 1 349.523 1.992 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912591088 593106980 /nfs/dbraw/zinc/10/69/80/593106980.db2.gz LAUBFDPEJUFQIB-UHFFFAOYSA-N 2 1 336.480 1.571 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H](C)[N@@H+]1C ZINC000838476024 593177197 /nfs/dbraw/zinc/17/71/97/593177197.db2.gz LJNCCQHOLAZFNE-HLLBOEOZSA-N 2 1 338.496 1.364 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000811874399 593485057 /nfs/dbraw/zinc/48/50/57/593485057.db2.gz CVRSBLGYCHMJAX-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000811874399 593485058 /nfs/dbraw/zinc/48/50/58/593485058.db2.gz CVRSBLGYCHMJAX-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000811874399 593485059 /nfs/dbraw/zinc/48/50/59/593485059.db2.gz CVRSBLGYCHMJAX-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP Cn1ncc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1Cl ZINC000816569136 593532296 /nfs/dbraw/zinc/53/22/96/593532296.db2.gz ATMDGQKZTDAPTQ-UHFFFAOYSA-N 2 1 339.915 1.923 20 0 EDADMP O=C(CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc(F)cc(F)c1 ZINC000818987191 593732680 /nfs/dbraw/zinc/73/26/80/593732680.db2.gz UKFNSEWQUNLQPQ-JKSUJKDBSA-N 2 1 339.386 1.746 20 0 EDADMP O=C(CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cc(F)cc(F)c1 ZINC000818987191 593732681 /nfs/dbraw/zinc/73/26/81/593732681.db2.gz UKFNSEWQUNLQPQ-JKSUJKDBSA-N 2 1 339.386 1.746 20 0 EDADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000819367032 593752113 /nfs/dbraw/zinc/75/21/13/593752113.db2.gz VQZLGDSIROOFHP-HUUCEWRRSA-N 2 1 329.485 1.584 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCC[C@@H]2CCCO)C1 ZINC000820809702 593895204 /nfs/dbraw/zinc/89/52/04/593895204.db2.gz GUOBZNTUYKJEJA-ZACQAIPSSA-N 2 1 325.497 1.495 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821253742 593997808 /nfs/dbraw/zinc/99/78/08/593997808.db2.gz HZILVQHTUDLUIL-WMLDXEAASA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821253742 593997811 /nfs/dbraw/zinc/99/78/11/593997811.db2.gz HZILVQHTUDLUIL-WMLDXEAASA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821253742 593997813 /nfs/dbraw/zinc/99/78/13/593997813.db2.gz HZILVQHTUDLUIL-WMLDXEAASA-N 2 1 344.463 1.908 20 0 EDADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000821255373 593999398 /nfs/dbraw/zinc/99/93/98/593999398.db2.gz ZCUSSPXRISDHTI-AWEZNQCLSA-N 2 1 330.436 1.697 20 0 EDADMP CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000824576220 594041405 /nfs/dbraw/zinc/04/14/05/594041405.db2.gz DJDGQVMLVZXJAR-QGZVFWFLSA-N 2 1 335.448 1.900 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H](C)[NH+](C)C)C2)ccn1 ZINC000824797652 594076457 /nfs/dbraw/zinc/07/64/57/594076457.db2.gz NUWOXIGJKOUPRP-CRAIPNDOSA-N 2 1 348.491 1.852 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000824825535 594080610 /nfs/dbraw/zinc/08/06/10/594080610.db2.gz BFOXUUHGBYFQHH-BHYGNILZSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000824825535 594080612 /nfs/dbraw/zinc/08/06/12/594080612.db2.gz BFOXUUHGBYFQHH-BHYGNILZSA-N 2 1 325.497 1.722 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000825963719 594292908 /nfs/dbraw/zinc/29/29/08/594292908.db2.gz FAHTZMKXPONACB-HRCADAONSA-N 2 1 328.501 1.467 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(-n3ccnc3)nc1)CCO2 ZINC000830647493 594446777 /nfs/dbraw/zinc/44/67/77/594446777.db2.gz LHTOBFWNNONWCR-UHFFFAOYSA-N 2 1 327.432 1.564 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(-n3ccnc3)nc1)CCO2 ZINC000830647493 594446778 /nfs/dbraw/zinc/44/67/78/594446778.db2.gz LHTOBFWNNONWCR-UHFFFAOYSA-N 2 1 327.432 1.564 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)CCCCC[NH3+])CC1)Cc1ccccc1 ZINC000828715271 594485916 /nfs/dbraw/zinc/48/59/16/594485916.db2.gz IQJYSRLRAMPHKJ-UHFFFAOYSA-N 2 1 346.519 1.782 20 0 EDADMP Cc1cccc(CN2CCO[C@H](CNC(=O)CCc3cnc[nH]3)C2)c1 ZINC000826555460 594524327 /nfs/dbraw/zinc/52/43/27/594524327.db2.gz BUBSIIMTXRIHSG-GOSISDBHSA-N 2 1 342.443 1.668 20 0 EDADMP [NH3+][C@@H](CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000826993588 594618940 /nfs/dbraw/zinc/61/89/40/594618940.db2.gz QZCXDYBNKIIJLG-KRWDZBQOSA-N 2 1 334.439 1.191 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570969 594683999 /nfs/dbraw/zinc/68/39/99/594683999.db2.gz JOBLFHFMCDHNPO-MELADBBJSA-N 2 1 333.398 1.813 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570969 594684000 /nfs/dbraw/zinc/68/40/00/594684000.db2.gz JOBLFHFMCDHNPO-MELADBBJSA-N 2 1 333.398 1.813 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570969 594684001 /nfs/dbraw/zinc/68/40/01/594684001.db2.gz JOBLFHFMCDHNPO-MELADBBJSA-N 2 1 333.398 1.813 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831570965 594684067 /nfs/dbraw/zinc/68/40/67/594684067.db2.gz JOBLFHFMCDHNPO-BFHYXJOUSA-N 2 1 333.398 1.813 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831570965 594684068 /nfs/dbraw/zinc/68/40/68/594684068.db2.gz JOBLFHFMCDHNPO-BFHYXJOUSA-N 2 1 333.398 1.813 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831570965 594684069 /nfs/dbraw/zinc/68/40/69/594684069.db2.gz JOBLFHFMCDHNPO-BFHYXJOUSA-N 2 1 333.398 1.813 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N(C)C2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000841673041 594934053 /nfs/dbraw/zinc/93/40/53/594934053.db2.gz FDFZLUSIFOAZNT-FXQLRMTLSA-N 2 1 340.512 1.786 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)cn1 ZINC000841721012 594942991 /nfs/dbraw/zinc/94/29/91/594942991.db2.gz BQISXEYMRCYEFG-INIZCTEOSA-N 2 1 342.447 1.892 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000841726948 594944070 /nfs/dbraw/zinc/94/40/70/594944070.db2.gz OLMKZZPSCVHAIO-UHFFFAOYSA-N 2 1 330.436 1.892 20 0 EDADMP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000841833188 594959735 /nfs/dbraw/zinc/95/97/35/594959735.db2.gz SYBJDIHPSVKUAZ-AEFFLSMTSA-N 2 1 328.460 1.657 20 0 EDADMP CN(C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CCC([NH3+])CC1 ZINC000841860204 594966800 /nfs/dbraw/zinc/96/68/00/594966800.db2.gz MKGPPEPTXRHJJC-BACDZXNISA-N 2 1 338.496 1.541 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=S)NCC2CC[NH+](C)CC2)C[C@@H]1C ZINC000843280064 595060750 /nfs/dbraw/zinc/06/07/50/595060750.db2.gz QQAUEJDMYMJPBL-GASCZTMLSA-N 2 1 342.553 1.244 20 0 EDADMP C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355407 595085653 /nfs/dbraw/zinc/08/56/53/595085653.db2.gz NDXRNZFYMWPWJN-ZGRYLRDCSA-N 2 1 325.497 1.900 20 0 EDADMP C[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000844172983 595291470 /nfs/dbraw/zinc/29/14/70/595291470.db2.gz LPPNCJVMCUWSDK-DZGCQCFKSA-N 2 1 337.489 1.380 20 0 EDADMP C[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000844172983 595291472 /nfs/dbraw/zinc/29/14/72/595291472.db2.gz LPPNCJVMCUWSDK-DZGCQCFKSA-N 2 1 337.489 1.380 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844184164 595295593 /nfs/dbraw/zinc/29/55/93/595295593.db2.gz BCOPEKSDDVIFCO-CVEARBPZSA-N 2 1 325.497 1.772 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000846839151 595324727 /nfs/dbraw/zinc/32/47/27/595324727.db2.gz DPVHXRGKKHQZJX-MRXNPFEDSA-N 2 1 339.867 1.763 20 0 EDADMP COCCN(C)C[C@@H](O)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000846839151 595324732 /nfs/dbraw/zinc/32/47/32/595324732.db2.gz DPVHXRGKKHQZJX-MRXNPFEDSA-N 2 1 339.867 1.763 20 0 EDADMP COCCN(C)C[C@@H](O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000846839151 595324735 /nfs/dbraw/zinc/32/47/35/595324735.db2.gz DPVHXRGKKHQZJX-MRXNPFEDSA-N 2 1 339.867 1.763 20 0 EDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846875529 595330599 /nfs/dbraw/zinc/33/05/99/595330599.db2.gz SKOBRPWPSPRUOV-QAPCUYQASA-N 2 1 341.496 1.774 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847293145 595388662 /nfs/dbraw/zinc/38/86/62/595388662.db2.gz ANJDSGNSGCTRNL-VVLHAWIVSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847293145 595388665 /nfs/dbraw/zinc/38/86/65/595388665.db2.gz ANJDSGNSGCTRNL-VVLHAWIVSA-N 2 1 340.512 1.658 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCCO[C@H](C)C1 ZINC000849104033 595482191 /nfs/dbraw/zinc/48/21/91/595482191.db2.gz JRDGWPFGPTUPTR-CVEARBPZSA-N 3 1 325.501 1.086 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000849104033 595482193 /nfs/dbraw/zinc/48/21/93/595482193.db2.gz JRDGWPFGPTUPTR-CVEARBPZSA-N 3 1 325.501 1.086 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000849104033 595482195 /nfs/dbraw/zinc/48/21/95/595482195.db2.gz JRDGWPFGPTUPTR-CVEARBPZSA-N 3 1 325.501 1.086 20 0 EDADMP COc1ccccc1CNC(=[NH2+])NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000849108521 595483021 /nfs/dbraw/zinc/48/30/21/595483021.db2.gz WNEGBDODSBGSFZ-UHFFFAOYSA-N 2 1 333.480 1.335 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000849349490 595509502 /nfs/dbraw/zinc/50/95/02/595509502.db2.gz AWBQQTPPIZHWMO-QGZVFWFLSA-N 2 1 331.460 1.762 20 0 EDADMP CC(C)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849485443 595547964 /nfs/dbraw/zinc/54/79/64/595547964.db2.gz WVMYIKRJLGOYFC-QZTJIDSGSA-N 2 1 349.523 1.690 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849523745 595557828 /nfs/dbraw/zinc/55/78/28/595557828.db2.gz XLUUVXKZXIXCON-FGTMMUONSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849523745 595557832 /nfs/dbraw/zinc/55/78/32/595557832.db2.gz XLUUVXKZXIXCON-FGTMMUONSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849523745 595557835 /nfs/dbraw/zinc/55/78/35/595557835.db2.gz XLUUVXKZXIXCON-FGTMMUONSA-N 2 1 347.507 1.444 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000849555896 595566448 /nfs/dbraw/zinc/56/64/48/595566448.db2.gz ZOFHZNSUEBNGEF-OWSLCNJRSA-N 2 1 345.491 1.151 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000849555896 595566452 /nfs/dbraw/zinc/56/64/52/595566452.db2.gz ZOFHZNSUEBNGEF-OWSLCNJRSA-N 2 1 345.491 1.151 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000849555896 595566454 /nfs/dbraw/zinc/56/64/54/595566454.db2.gz ZOFHZNSUEBNGEF-OWSLCNJRSA-N 2 1 345.491 1.151 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NC(C)(C)C[NH+]2CCCC2)cn1 ZINC000849602805 595590853 /nfs/dbraw/zinc/59/08/53/595590853.db2.gz QWCQGWJUOXYSRH-IAGOWNOFSA-N 2 1 347.507 1.446 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849612368 595596703 /nfs/dbraw/zinc/59/67/03/595596703.db2.gz KNUFQQYYDLETIH-IAGOWNOFSA-N 2 1 349.523 1.738 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C[C@H](O)c2cccc(F)c2)CC1 ZINC000109754835 595721823 /nfs/dbraw/zinc/72/18/23/595721823.db2.gz DMNQEOVAPGRQGF-MOPGFXCFSA-N 2 1 335.467 1.961 20 0 EDADMP CCOC(=O)NC1CCC([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC000850427152 595831965 /nfs/dbraw/zinc/83/19/65/595831965.db2.gz NWDHSQUITPVUBC-UHFFFAOYSA-N 2 1 327.469 1.480 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000851825529 595937232 /nfs/dbraw/zinc/93/72/32/595937232.db2.gz KBOGOIMBKCQEKU-JKSUJKDBSA-N 2 1 334.464 1.433 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000851825529 595937233 /nfs/dbraw/zinc/93/72/33/595937233.db2.gz KBOGOIMBKCQEKU-JKSUJKDBSA-N 2 1 334.464 1.433 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000851825529 595937236 /nfs/dbraw/zinc/93/72/36/595937236.db2.gz KBOGOIMBKCQEKU-JKSUJKDBSA-N 2 1 334.464 1.433 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000851825529 595937240 /nfs/dbraw/zinc/93/72/40/595937240.db2.gz KBOGOIMBKCQEKU-JKSUJKDBSA-N 2 1 334.464 1.433 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnccn3)C2)ccn1 ZINC000856547722 596015811 /nfs/dbraw/zinc/01/58/11/596015811.db2.gz CFFJIXZMLSDWEX-SFHVURJKSA-N 2 1 327.432 1.977 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnccn3)C2)ccn1 ZINC000856547722 596015816 /nfs/dbraw/zinc/01/58/16/596015816.db2.gz CFFJIXZMLSDWEX-SFHVURJKSA-N 2 1 327.432 1.977 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnccn3)C2)ccn1 ZINC000856547722 596015821 /nfs/dbraw/zinc/01/58/21/596015821.db2.gz CFFJIXZMLSDWEX-SFHVURJKSA-N 2 1 327.432 1.977 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnccn3)C2)ccn1 ZINC000856547722 596015825 /nfs/dbraw/zinc/01/58/25/596015825.db2.gz CFFJIXZMLSDWEX-SFHVURJKSA-N 2 1 327.432 1.977 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)C(=O)NC3CC3)C2)ccn1 ZINC000856592655 596026913 /nfs/dbraw/zinc/02/69/13/596026913.db2.gz IRZLVVSUJHVHGD-KSSFIOAISA-N 2 1 346.475 1.654 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)C(=O)NC3CC3)C2)ccn1 ZINC000856592655 596026917 /nfs/dbraw/zinc/02/69/17/596026917.db2.gz IRZLVVSUJHVHGD-KSSFIOAISA-N 2 1 346.475 1.654 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)ccn1 ZINC000856592655 596026920 /nfs/dbraw/zinc/02/69/20/596026920.db2.gz IRZLVVSUJHVHGD-KSSFIOAISA-N 2 1 346.475 1.654 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)ccn1 ZINC000856592655 596026925 /nfs/dbraw/zinc/02/69/25/596026925.db2.gz IRZLVVSUJHVHGD-KSSFIOAISA-N 2 1 346.475 1.654 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCC(=O)N3)C2)ccn1 ZINC000856606861 596031577 /nfs/dbraw/zinc/03/15/77/596031577.db2.gz PNSWUWXIOPANBA-MAUKXSAKSA-N 2 1 346.475 1.654 20 0 EDADMP NC(=O)c1ccc(CC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000866667652 596286265 /nfs/dbraw/zinc/28/62/65/596286265.db2.gz UAGLALLUTFCPII-OKZBNKHCSA-N 2 1 331.460 1.546 20 0 EDADMP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705733 596301841 /nfs/dbraw/zinc/30/18/41/596301841.db2.gz ICWPHGZTNLYZIL-SFHVURJKSA-N 2 1 327.513 1.862 20 0 EDADMP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705733 596301845 /nfs/dbraw/zinc/30/18/45/596301845.db2.gz ICWPHGZTNLYZIL-SFHVURJKSA-N 2 1 327.513 1.862 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1Cc2ccccc2O1 ZINC000869236560 596456262 /nfs/dbraw/zinc/45/62/62/596456262.db2.gz CAZASGCRBIPNHK-DOTOQJQBSA-N 2 1 333.476 1.768 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1Cc2ccccc2O1 ZINC000869236560 596456263 /nfs/dbraw/zinc/45/62/63/596456263.db2.gz CAZASGCRBIPNHK-DOTOQJQBSA-N 2 1 333.476 1.768 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)/C=C/c1ccc(C=O)cc1 ZINC000869237497 596456792 /nfs/dbraw/zinc/45/67/92/596456792.db2.gz SZRQEXGZVMTHEP-OFAQMXQXSA-N 2 1 331.460 1.901 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)/C=C/c1ccc(C=O)cc1 ZINC000869237497 596456794 /nfs/dbraw/zinc/45/67/94/596456794.db2.gz SZRQEXGZVMTHEP-OFAQMXQXSA-N 2 1 331.460 1.901 20 0 EDADMP C[NH+]1CCN(c2cccc(C(=O)N3CC[N@@H+](C)C(C)(C)CC3)n2)CC1 ZINC000871154085 596481629 /nfs/dbraw/zinc/48/16/29/596481629.db2.gz BREGONXMFZGKRW-UHFFFAOYSA-N 2 1 345.491 1.390 20 0 EDADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H](O)c1c(F)cccc1F ZINC000863562169 596619565 /nfs/dbraw/zinc/61/95/65/596619565.db2.gz IPSJQHGCTMFSEB-YLQAJVPDSA-N 2 1 328.403 1.823 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000869766805 596623420 /nfs/dbraw/zinc/62/34/20/596623420.db2.gz XETMDZGBFOBZQK-IYBDPMFKSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[N@H+]1C1CC1 ZINC000868231360 596736604 /nfs/dbraw/zinc/73/66/04/596736604.db2.gz DIIOCACUHYJMSE-WGHIXYSZSA-N 2 1 342.443 1.181 20 0 EDADMP CC1(C)CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242998 596742229 /nfs/dbraw/zinc/74/22/29/596742229.db2.gz DGJPWDAJUDDUKN-JKSUJKDBSA-N 2 1 344.459 1.430 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000868309868 596783313 /nfs/dbraw/zinc/78/33/13/596783313.db2.gz NQASKVHUEWUMEJ-RDJZCZTQSA-N 2 1 344.459 1.287 20 0 EDADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC000872036152 596798805 /nfs/dbraw/zinc/79/88/05/596798805.db2.gz SBBPBFQXKPVGSL-KURKYZTESA-N 2 1 339.524 1.576 20 0 EDADMP C[C@](O)(C[C@@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000872201976 596834020 /nfs/dbraw/zinc/83/40/20/596834020.db2.gz OUJXHNZDVCBBEC-KURKYZTESA-N 2 1 326.481 1.131 20 0 EDADMP O[C@]1(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC[N@H+](Cc2ccccc2)C1 ZINC000872218981 596840616 /nfs/dbraw/zinc/84/06/16/596840616.db2.gz CGVFDZUGJLCWJT-HUTLCRKWSA-N 2 1 328.456 1.636 20 0 EDADMP O[C@]1(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC[N@@H+](Cc2ccccc2)C1 ZINC000872218981 596840618 /nfs/dbraw/zinc/84/06/18/596840618.db2.gz CGVFDZUGJLCWJT-HUTLCRKWSA-N 2 1 328.456 1.636 20 0 EDADMP COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000872252572 596855049 /nfs/dbraw/zinc/85/50/49/596855049.db2.gz TXYLJZQAVKXZOI-PMUMKWKESA-N 2 1 338.448 1.172 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000872256208 596856611 /nfs/dbraw/zinc/85/66/11/596856611.db2.gz QTGUJAIRPPFPQM-AHEZYBDSSA-N 2 1 343.427 1.420 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000872257395 596857161 /nfs/dbraw/zinc/85/71/61/596857161.db2.gz QOPPEGSOGNQEBW-KFGODFMUSA-N 2 1 327.428 1.657 20 0 EDADMP C[C@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc(N2CCNC2=O)cc1 ZINC000866412113 596880238 /nfs/dbraw/zinc/88/02/38/596880238.db2.gz DEUYQVFXCAUAJV-HOCLYGCPSA-N 2 1 346.475 1.712 20 0 EDADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC000866492963 596893219 /nfs/dbraw/zinc/89/32/19/596893219.db2.gz MZAAAMMQWAYPCT-HUUCEWRRSA-N 2 1 327.469 1.431 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(Nc3cc(Cl)n[nH]c3=O)CC2)CC1 ZINC000872433046 596904555 /nfs/dbraw/zinc/90/45/55/596904555.db2.gz DUKPYKNDOCFHNQ-UHFFFAOYSA-N 2 1 325.844 1.806 20 0 EDADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000873204741 597226227 /nfs/dbraw/zinc/22/62/27/597226227.db2.gz FYCALCCJTJXRLZ-GFCCVEGCSA-N 2 1 347.406 1.989 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000875042346 597256618 /nfs/dbraw/zinc/25/66/18/597256618.db2.gz RLNHLHONODPILN-INIZCTEOSA-N 2 1 340.512 1.251 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)cn1 ZINC000876721005 597304686 /nfs/dbraw/zinc/30/46/86/597304686.db2.gz OPUDPIIDHQQYEU-PKYBCLHXSA-N 2 1 325.416 1.748 20 0 EDADMP O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000876726483 597307671 /nfs/dbraw/zinc/30/76/71/597307671.db2.gz IDZMEWOJDAGRIN-ZFWWWQNUSA-N 2 1 325.453 1.382 20 0 EDADMP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1(F)F ZINC000876738606 597315260 /nfs/dbraw/zinc/31/52/60/597315260.db2.gz IAXSYQCKLMUCPD-MRVWCRGKSA-N 2 1 343.443 1.916 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)cnn1[C@@H]1CCC[NH2+]C1 ZINC000876751879 597322029 /nfs/dbraw/zinc/32/20/29/597322029.db2.gz ZXGLZXWQSRIAMC-JKSUJKDBSA-N 2 1 333.480 1.720 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000876782334 597338944 /nfs/dbraw/zinc/33/89/44/597338944.db2.gz PAYSRYPYXNZNGW-YOEHRIQHSA-N 2 1 334.439 1.715 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](F)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000876873357 597365015 /nfs/dbraw/zinc/36/50/15/597365015.db2.gz DKXKBRBWICIBJG-WMZOPIPTSA-N 2 1 349.450 1.677 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](F)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000876873357 597365017 /nfs/dbraw/zinc/36/50/17/597365017.db2.gz DKXKBRBWICIBJG-WMZOPIPTSA-N 2 1 349.450 1.677 20 0 EDADMP C[C@H](NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876900868 597378296 /nfs/dbraw/zinc/37/82/96/597378296.db2.gz SJWWFXFWKSEPCL-DZOHQFGASA-N 2 1 333.451 1.961 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000875346947 597393667 /nfs/dbraw/zinc/39/36/67/597393667.db2.gz TZUORMDQUUHJCX-ILXRZTDVSA-N 2 1 326.485 1.004 20 0 EDADMP C[N@@H+]1CC[C@H]2CN(C(=O)N[C@@H]3C[NH+](C)Cc4ccccc43)CC[C@@H]21 ZINC000875427212 597424053 /nfs/dbraw/zinc/42/40/53/597424053.db2.gz JSBDZLDAJFBUQJ-JQHSSLGASA-N 2 1 328.460 1.909 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)N[C@@H]3C[NH+](C)Cc4ccccc43)CC[C@@H]21 ZINC000875427212 597424055 /nfs/dbraw/zinc/42/40/55/597424055.db2.gz JSBDZLDAJFBUQJ-JQHSSLGASA-N 2 1 328.460 1.909 20 0 EDADMP C[NH+]1CC[C@H]2CN(C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)CC[C@@H]21 ZINC000875427212 597424058 /nfs/dbraw/zinc/42/40/58/597424058.db2.gz JSBDZLDAJFBUQJ-JQHSSLGASA-N 2 1 328.460 1.909 20 0 EDADMP C[NH+]1CC[C@H]2CN(C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)CC[C@@H]21 ZINC000875427212 597424060 /nfs/dbraw/zinc/42/40/60/597424060.db2.gz JSBDZLDAJFBUQJ-JQHSSLGASA-N 2 1 328.460 1.909 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877116625 597436433 /nfs/dbraw/zinc/43/64/33/597436433.db2.gz RODDOOQQPDHLQG-KRWDZBQOSA-N 2 1 334.464 1.589 20 0 EDADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000877249508 597479035 /nfs/dbraw/zinc/47/90/35/597479035.db2.gz WIQKZIHIBDQQJM-FGTMMUONSA-N 2 1 331.460 1.521 20 0 EDADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC[NH2+]CC1 ZINC000877253037 597480523 /nfs/dbraw/zinc/48/05/23/597480523.db2.gz HNFGGBRDVAGVLL-MRXNPFEDSA-N 2 1 344.503 1.552 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000877588669 597539364 /nfs/dbraw/zinc/53/93/64/597539364.db2.gz VLMLDMYUDHVWPI-QGZVFWFLSA-N 2 1 349.475 1.932 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000878188260 597585299 /nfs/dbraw/zinc/58/52/99/597585299.db2.gz GSOXFBVGANIVLT-HZPDHXFCSA-N 2 1 335.448 1.378 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000878188260 597585300 /nfs/dbraw/zinc/58/53/00/597585300.db2.gz GSOXFBVGANIVLT-HZPDHXFCSA-N 2 1 335.448 1.378 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879579059 597640911 /nfs/dbraw/zinc/64/09/11/597640911.db2.gz IZCSHVVGGRPPOY-KEYYUXOJSA-N 2 1 327.469 1.288 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879579059 597640912 /nfs/dbraw/zinc/64/09/12/597640912.db2.gz IZCSHVVGGRPPOY-KEYYUXOJSA-N 2 1 327.469 1.288 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879579059 597640914 /nfs/dbraw/zinc/64/09/14/597640914.db2.gz IZCSHVVGGRPPOY-KEYYUXOJSA-N 2 1 327.469 1.288 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879579059 597640917 /nfs/dbraw/zinc/64/09/17/597640917.db2.gz IZCSHVVGGRPPOY-KEYYUXOJSA-N 2 1 327.469 1.288 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883301867 597707170 /nfs/dbraw/zinc/70/71/70/597707170.db2.gz KKZOIVHSARIRHU-HNNXBMFYSA-N 2 1 340.512 1.659 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](C)(c3cccc(F)c3)C2)CC1 ZINC000878801577 597716663 /nfs/dbraw/zinc/71/66/63/597716663.db2.gz LXWQTTSLOLFFHR-LJQANCHMSA-N 2 1 333.451 2.000 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](C)(c3cccc(F)c3)C2)CC1 ZINC000878801577 597716667 /nfs/dbraw/zinc/71/66/67/597716667.db2.gz LXWQTTSLOLFFHR-LJQANCHMSA-N 2 1 333.451 2.000 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878826050 597726023 /nfs/dbraw/zinc/72/60/23/597726023.db2.gz PANKDFRIRNCLRC-KFWWJZLASA-N 2 1 343.512 1.969 20 0 EDADMP Cn1ccc(-c2nc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cs2)n1 ZINC000883428920 597743546 /nfs/dbraw/zinc/74/35/46/597743546.db2.gz GRNXXESRQXNUDA-ZBFHGGJFSA-N 2 1 347.488 1.872 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](C[C@H]3CCC4(CCOCC4)CO3)C2)nn1 ZINC000883431910 597744185 /nfs/dbraw/zinc/74/41/85/597744185.db2.gz GKMQXJXARFUJCE-DLBZAZTESA-N 2 1 349.479 1.350 20 0 EDADMP Cn1ccc(-c2nc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cs2)n1 ZINC000883430656 597744312 /nfs/dbraw/zinc/74/43/12/597744312.db2.gz ZQYBQWFVOBBWQF-CQSZACIVSA-N 2 1 332.477 1.023 20 0 EDADMP Cn1ccc(-c2nc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cs2)n1 ZINC000883430656 597744315 /nfs/dbraw/zinc/74/43/15/597744315.db2.gz ZQYBQWFVOBBWQF-CQSZACIVSA-N 2 1 332.477 1.023 20 0 EDADMP COC(=O)C(C)(C)C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)CC(C)C ZINC000883461666 597758247 /nfs/dbraw/zinc/75/82/47/597758247.db2.gz ZZRPZZYUCGLSRO-UHFFFAOYSA-N 2 1 326.441 1.921 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(C)(C)O)C2)CC1 ZINC000879962616 597786505 /nfs/dbraw/zinc/78/65/05/597786505.db2.gz UXAANRJMKDCMCZ-OAHLLOKOSA-N 2 1 325.497 1.458 20 0 EDADMP [NH3+][C@H]1C[C@@H](CNC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883585657 597813751 /nfs/dbraw/zinc/81/37/51/597813751.db2.gz URZUVVKSCQVMGG-DAYGRLMNSA-N 2 1 343.475 1.830 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883586758 597815090 /nfs/dbraw/zinc/81/50/90/597815090.db2.gz RUJYXDHIDVFRCV-YOEHRIQHSA-N 2 1 331.464 1.687 20 0 EDADMP COCC[N@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)CC1CC[NH+](C)CC1 ZINC000879123227 597826256 /nfs/dbraw/zinc/82/62/56/597826256.db2.gz SYSQWFMBHSTRHG-IRXDYDNUSA-N 2 1 339.524 1.781 20 0 EDADMP COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000879258285 597867054 /nfs/dbraw/zinc/86/70/54/597867054.db2.gz WZNICAUODGQUJJ-YJBOKZPZSA-N 2 1 342.480 1.123 20 0 EDADMP CC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000880474883 597940663 /nfs/dbraw/zinc/94/06/63/597940663.db2.gz PMHAGSPDMJGAPO-UHFFFAOYSA-N 2 1 344.459 1.674 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000889332797 597941756 /nfs/dbraw/zinc/94/17/56/597941756.db2.gz LDSJQMBTZXATHC-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000889332797 597941760 /nfs/dbraw/zinc/94/17/60/597941760.db2.gz LDSJQMBTZXATHC-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@@H+]1[C@H](C)CN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C[C@@H]1C ZINC000880609097 597979852 /nfs/dbraw/zinc/97/98/52/597979852.db2.gz QCSBNXAKQMNDCN-UXLLHSPISA-N 2 1 325.497 1.721 20 0 EDADMP C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000133891564 598016036 /nfs/dbraw/zinc/01/60/36/598016036.db2.gz QIOSRJMPZUIDJQ-HIFRSBDPSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133891564 598016038 /nfs/dbraw/zinc/01/60/38/598016038.db2.gz QIOSRJMPZUIDJQ-HIFRSBDPSA-N 2 1 326.485 1.268 20 0 EDADMP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000884386637 598088933 /nfs/dbraw/zinc/08/89/33/598088933.db2.gz VRGNUESRXWCZMW-HONMWMINSA-N 2 1 345.365 1.527 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000884363168 598081333 /nfs/dbraw/zinc/08/13/33/598081333.db2.gz XYTFIVYDSXMGHR-WOPDTQHZSA-N 2 1 326.238 1.691 20 0 EDADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000914268300 695318822 /nfs/dbraw/zinc/31/88/22/695318822.db2.gz WPUGWNLBXDYZBH-BBWFWOEESA-N 2 1 341.521 1.218 20 0 EDADMP CCOC1CC(CN2CC(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001031050697 695385462 /nfs/dbraw/zinc/38/54/62/695385462.db2.gz UNFZOWFXCVEMGH-VMWRSERWSA-N 2 1 337.508 1.865 20 0 EDADMP CCOC1CC(C[NH+]2CC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001031050697 695385464 /nfs/dbraw/zinc/38/54/64/695385464.db2.gz UNFZOWFXCVEMGH-VMWRSERWSA-N 2 1 337.508 1.865 20 0 EDADMP C[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000915274573 695777864 /nfs/dbraw/zinc/77/78/64/695777864.db2.gz CQGNSHKKRNYQDL-HOTGVXAUSA-N 2 1 342.553 1.436 20 0 EDADMP C[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000915274573 695777865 /nfs/dbraw/zinc/77/78/65/695777865.db2.gz CQGNSHKKRNYQDL-HOTGVXAUSA-N 2 1 342.553 1.436 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000915566817 695947767 /nfs/dbraw/zinc/94/77/67/695947767.db2.gz GCEAOASHYNSUNM-IKGGRYGDSA-N 2 1 341.521 1.361 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000925425890 696022390 /nfs/dbraw/zinc/02/23/90/696022390.db2.gz KIJRUNHCMZJKTF-QGZVFWFLSA-N 2 1 346.475 1.017 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2C[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001031253646 696023433 /nfs/dbraw/zinc/02/34/33/696023433.db2.gz JCQHNLWVJCJHGB-ZFWWWQNUSA-N 2 1 329.435 1.953 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993575595 696229729 /nfs/dbraw/zinc/22/97/29/696229729.db2.gz OGLZTQAOGPFXAV-GDBMZVCRSA-N 2 1 343.431 1.496 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CCc1ccnn1C ZINC000993759105 696351980 /nfs/dbraw/zinc/35/19/80/696351980.db2.gz KGMFXSPUWFZQQL-YJBOKZPZSA-N 2 1 347.507 1.274 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccnn1C ZINC000993927398 696446947 /nfs/dbraw/zinc/44/69/47/696446947.db2.gz LZXJFWVFABIOHH-QAPCUYQASA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccnn1C ZINC000993927398 696446949 /nfs/dbraw/zinc/44/69/49/696446949.db2.gz LZXJFWVFABIOHH-QAPCUYQASA-N 2 1 347.507 1.621 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000940008003 700109486 /nfs/dbraw/zinc/10/94/86/700109486.db2.gz DDHNYEOPEQGBPY-OAHLLOKOSA-N 2 1 348.495 1.171 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCC2CCOCC2)[C@H]1C ZINC000994421857 696843995 /nfs/dbraw/zinc/84/39/95/696843995.db2.gz NGCKJENUMXDYFR-YJBOKZPZSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCOCC2)[C@H]1C ZINC000994421857 696843997 /nfs/dbraw/zinc/84/39/97/696843997.db2.gz NGCKJENUMXDYFR-YJBOKZPZSA-N 2 1 348.491 1.977 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CN([C@H](C)c3ccccc3C)C2)C1 ZINC001031418199 697066713 /nfs/dbraw/zinc/06/67/13/697066713.db2.gz IQWIFFNAYGTWGR-QAPCUYQASA-N 2 1 331.460 1.577 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CN([C@H](C)c3ccccc3C)C2)C1 ZINC001031418199 697066716 /nfs/dbraw/zinc/06/67/16/697066716.db2.gz IQWIFFNAYGTWGR-QAPCUYQASA-N 2 1 331.460 1.577 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2cccc3nsnc32)C1 ZINC001031579141 697274577 /nfs/dbraw/zinc/27/45/77/697274577.db2.gz BBDDCADIRBQCCF-OAHLLOKOSA-N 2 1 345.472 1.334 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc3nsnc32)C1 ZINC001031579141 697274578 /nfs/dbraw/zinc/27/45/78/697274578.db2.gz BBDDCADIRBQCCF-OAHLLOKOSA-N 2 1 345.472 1.334 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2OC2CC2)C1 ZINC001031585031 697280566 /nfs/dbraw/zinc/28/05/66/697280566.db2.gz OIYIFQXZESXXMZ-SFHVURJKSA-N 2 1 343.471 1.870 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2OC2CC2)C1 ZINC001031585031 697280568 /nfs/dbraw/zinc/28/05/68/697280568.db2.gz OIYIFQXZESXXMZ-SFHVURJKSA-N 2 1 343.471 1.870 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOc2ccccc2F)C1 ZINC001031585300 697280829 /nfs/dbraw/zinc/28/08/29/697280829.db2.gz VUDVRZDTGLEGLP-INIZCTEOSA-N 2 1 335.423 1.347 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOc2ccccc2F)C1 ZINC001031585300 697280831 /nfs/dbraw/zinc/28/08/31/697280831.db2.gz VUDVRZDTGLEGLP-INIZCTEOSA-N 2 1 335.423 1.347 20 0 EDADMP CCCc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001031594952 697294866 /nfs/dbraw/zinc/29/48/66/697294866.db2.gz OZMOKOXYEXVKFV-LJQANCHMSA-N 2 1 345.487 1.518 20 0 EDADMP CCCc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001031594952 697294868 /nfs/dbraw/zinc/29/48/68/697294868.db2.gz OZMOKOXYEXVKFV-LJQANCHMSA-N 2 1 345.487 1.518 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1)C1CCC1 ZINC001015796092 697399884 /nfs/dbraw/zinc/39/98/84/697399884.db2.gz JCPJPDBZVRVMGL-MSOLQXFVSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)s1 ZINC001031668526 697461259 /nfs/dbraw/zinc/46/12/59/697461259.db2.gz IQJKAKNXTBQDKW-HOTGVXAUSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)s1 ZINC001031668526 697461260 /nfs/dbraw/zinc/46/12/60/697461260.db2.gz IQJKAKNXTBQDKW-HOTGVXAUSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668906 697463922 /nfs/dbraw/zinc/46/39/22/697463922.db2.gz RRZXMQXZYZHIOM-NVXWUHKLSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668906 697463923 /nfs/dbraw/zinc/46/39/23/697463923.db2.gz RRZXMQXZYZHIOM-NVXWUHKLSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031669037 697464275 /nfs/dbraw/zinc/46/42/75/697464275.db2.gz WKTJLXDVKMXRTK-SJORKVTESA-N 2 1 346.475 1.714 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031669037 697464276 /nfs/dbraw/zinc/46/42/76/697464276.db2.gz WKTJLXDVKMXRTK-SJORKVTESA-N 2 1 346.475 1.714 20 0 EDADMP O=C(NCC1C[NH+](CCC2=CCCCC2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688491 697519912 /nfs/dbraw/zinc/51/99/12/697519912.db2.gz GJASBWPXGOWDOM-RBUKOAKNSA-N 2 1 347.503 1.788 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921438372 697613200 /nfs/dbraw/zinc/61/32/00/697613200.db2.gz ZKTFDGYLIJFUPX-BZUAXINKSA-N 2 1 340.537 1.740 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cnc(C)s2)C1 ZINC001031711127 697716763 /nfs/dbraw/zinc/71/67/63/697716763.db2.gz CCQVDWAYVMFCAK-INIZCTEOSA-N 2 1 336.505 1.874 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cnc(C)s2)C1 ZINC001031711127 697716765 /nfs/dbraw/zinc/71/67/65/697716765.db2.gz CCQVDWAYVMFCAK-INIZCTEOSA-N 2 1 336.505 1.874 20 0 EDADMP Cn1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)cn1 ZINC001031730778 698092537 /nfs/dbraw/zinc/09/25/37/698092537.db2.gz XSDLQTVJCYMPLF-SFHVURJKSA-N 2 1 345.491 1.375 20 0 EDADMP Cn1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)cn1 ZINC001031730778 698092541 /nfs/dbraw/zinc/09/25/41/698092541.db2.gz XSDLQTVJCYMPLF-SFHVURJKSA-N 2 1 345.491 1.375 20 0 EDADMP CC1([NH2+]Cc2cnsn2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115672 700230778 /nfs/dbraw/zinc/23/07/78/700230778.db2.gz RMMNSXKLEPOHOS-HNNXBMFYSA-N 2 1 349.504 1.351 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939137204 699224115 /nfs/dbraw/zinc/22/41/15/699224115.db2.gz FMYJFACLXYVOLQ-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939137204 699224119 /nfs/dbraw/zinc/22/41/19/699224119.db2.gz FMYJFACLXYVOLQ-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP CC1CC(C[NH+]2CC(N3CCN(C(=O)C[N@H+]4CC[C@@H](C)C4)CC3)C2)C1 ZINC000941567488 701579938 /nfs/dbraw/zinc/57/99/38/701579938.db2.gz UVXINPAKWLSFFZ-WWDZGPRUSA-N 2 1 348.535 1.203 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)nc1 ZINC000939258500 699435689 /nfs/dbraw/zinc/43/56/89/699435689.db2.gz QRSSRYFFFLTNOW-RDJZCZTQSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ncc(C[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)s1 ZINC001031812944 699488006 /nfs/dbraw/zinc/48/80/06/699488006.db2.gz MJCOXZVVJDMVIU-UHFFFAOYSA-N 2 1 334.489 1.628 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)oc1C ZINC000939544609 699686176 /nfs/dbraw/zinc/68/61/76/699686176.db2.gz LKBDJGRYBANCGY-IUODEOHRSA-N 2 1 332.448 1.324 20 0 EDADMP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000939755534 699906722 /nfs/dbraw/zinc/90/67/22/699906722.db2.gz QTZOJGIXVNHXOY-BLLLJJGKSA-N 2 1 345.447 1.687 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000939757421 699924316 /nfs/dbraw/zinc/92/43/16/699924316.db2.gz YGPOSVGNQMJDNV-HOCLYGCPSA-N 2 1 348.495 1.065 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940142311 700270672 /nfs/dbraw/zinc/27/06/72/700270672.db2.gz OOGLKOHYWCFBEV-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)co1 ZINC000940178848 700312234 /nfs/dbraw/zinc/31/22/34/700312234.db2.gz NCILLSWZPTWBTM-MRXNPFEDSA-N 2 1 334.464 1.938 20 0 EDADMP CCOC1CC(C[NH2+]C2(C)CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000940211239 700377005 /nfs/dbraw/zinc/37/70/05/700377005.db2.gz DEYFHDSPBGOGQC-UHFFFAOYSA-N 2 1 348.491 1.977 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1 ZINC000940328004 700505640 /nfs/dbraw/zinc/50/56/40/700505640.db2.gz CFFVKXZDAFKXBB-OAHLLOKOSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1 ZINC000940329168 700508214 /nfs/dbraw/zinc/50/82/14/700508214.db2.gz QOSDECBCBDXIAW-ZDUSSCGKSA-N 2 1 337.493 1.493 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1 ZINC000940329168 700508218 /nfs/dbraw/zinc/50/82/18/700508218.db2.gz QOSDECBCBDXIAW-ZDUSSCGKSA-N 2 1 337.493 1.493 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000940427787 700621855 /nfs/dbraw/zinc/62/18/55/700621855.db2.gz NTNNSTKYHUMHLA-UHFFFAOYSA-N 2 1 347.463 1.199 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000940461511 700664563 /nfs/dbraw/zinc/66/45/63/700664563.db2.gz FKQVPBZUMAFONO-INIZCTEOSA-N 2 1 331.464 1.207 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940748284 700873975 /nfs/dbraw/zinc/87/39/75/700873975.db2.gz WXWYODKRERPATK-JKSUJKDBSA-N 2 1 339.524 1.848 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3ccon3)C2)C1 ZINC000995099642 700884395 /nfs/dbraw/zinc/88/43/95/700884395.db2.gz ABDFTAOYCCABGG-HUUCEWRRSA-N 2 1 334.464 1.781 20 0 EDADMP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCCO)CC2(C)C)ccc2c[nH+]cn21 ZINC000940852766 700952808 /nfs/dbraw/zinc/95/28/08/700952808.db2.gz DFQKECKNEHCVSH-QGZVFWFLSA-N 2 1 344.459 1.855 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001031916628 701007595 /nfs/dbraw/zinc/00/75/95/701007595.db2.gz CLCQNKRQHOJXQK-WMZOPIPTSA-N 2 1 337.508 1.583 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2cnn(C)c2)CC1(C)C ZINC000941032198 701073821 /nfs/dbraw/zinc/07/38/21/701073821.db2.gz GBRMZYKRVFOABR-RDJZCZTQSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)no1 ZINC000999168175 706595825 /nfs/dbraw/zinc/59/58/25/706595825.db2.gz FIFOONIZVMEQDR-RDJZCZTQSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)o1 ZINC000941166838 701377468 /nfs/dbraw/zinc/37/74/68/701377468.db2.gz JJYPCDIIOSYFBT-INIZCTEOSA-N 2 1 346.475 1.796 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1C[NH+](CC[C@H]3CCOC3)C1)CC2 ZINC001031932073 701381367 /nfs/dbraw/zinc/38/13/67/701381367.db2.gz SBWOWQOWMYKHRG-DOTOQJQBSA-N 2 1 346.475 1.229 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941217392 701403792 /nfs/dbraw/zinc/40/37/92/701403792.db2.gz NPRUYWZPUWJREM-HZPDHXFCSA-N 2 1 333.480 1.052 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941217392 701403793 /nfs/dbraw/zinc/40/37/93/701403793.db2.gz NPRUYWZPUWJREM-HZPDHXFCSA-N 2 1 333.480 1.052 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941217392 701403795 /nfs/dbraw/zinc/40/37/95/701403795.db2.gz NPRUYWZPUWJREM-HZPDHXFCSA-N 2 1 333.480 1.052 20 0 EDADMP Cc1conc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518387 706602312 /nfs/dbraw/zinc/60/23/12/706602312.db2.gz SHEHTLJHOLRSHR-JZXOWHBKSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1conc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518387 706602314 /nfs/dbraw/zinc/60/23/14/706602314.db2.gz SHEHTLJHOLRSHR-JZXOWHBKSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1conc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518387 706602316 /nfs/dbraw/zinc/60/23/16/706602316.db2.gz SHEHTLJHOLRSHR-JZXOWHBKSA-N 2 1 346.475 1.748 20 0 EDADMP CC[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1)OC ZINC000946518375 706602454 /nfs/dbraw/zinc/60/24/54/706602454.db2.gz RQWVHNYAGUWLHR-XWTMOSNGSA-N 2 1 337.508 1.676 20 0 EDADMP CC[C@@H](C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1)OC ZINC000946518375 706602457 /nfs/dbraw/zinc/60/24/57/706602457.db2.gz RQWVHNYAGUWLHR-XWTMOSNGSA-N 2 1 337.508 1.676 20 0 EDADMP CC[C@@H](C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1)OC ZINC000946518375 706602461 /nfs/dbraw/zinc/60/24/61/706602461.db2.gz RQWVHNYAGUWLHR-XWTMOSNGSA-N 2 1 337.508 1.676 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941404341 701518507 /nfs/dbraw/zinc/51/85/07/701518507.db2.gz ALLXIVSLCDMDBP-QGZVFWFLSA-N 2 1 340.487 1.047 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C3C[NH+](CC(C)C)C3)CC2)CC[N@H+]1C ZINC000941414741 701529097 /nfs/dbraw/zinc/52/90/97/701529097.db2.gz ZGRUEGZZJVHZGH-ZWKOTPCHSA-N 2 1 336.524 1.201 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cs1 ZINC000999174047 706605632 /nfs/dbraw/zinc/60/56/32/706605632.db2.gz NTTPLRIJKZTQEG-DOTOQJQBSA-N 2 1 348.516 1.874 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3cccnc3)C2)C1 ZINC001032129114 701811062 /nfs/dbraw/zinc/81/10/62/701811062.db2.gz QUEHVWVZPVCHAM-QZTJIDSGSA-N 2 1 330.476 1.750 20 0 EDADMP CCc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cc1 ZINC001031976095 701945388 /nfs/dbraw/zinc/94/53/88/701945388.db2.gz FAEJDVQJYVTKQY-BEFAXECRSA-N 2 1 329.488 1.995 20 0 EDADMP CCn1nnc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999191517 706633901 /nfs/dbraw/zinc/63/39/01/706633901.db2.gz YWQYKRAKEXFLLC-OWCLPIDISA-N 2 1 348.495 1.027 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC000999191560 706634461 /nfs/dbraw/zinc/63/44/61/706634461.db2.gz ZUKQCWAQSWDBNG-VNQPRFMTSA-N 2 1 334.464 1.712 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](C/C=C/c2ccccc2)C1 ZINC001031979151 702047355 /nfs/dbraw/zinc/04/73/55/702047355.db2.gz ZFYBCYSMMUBBOD-MCFURUIZSA-N 2 1 327.472 1.946 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](C/C=C\c2ccccc2)C1 ZINC001031979154 702047856 /nfs/dbraw/zinc/04/78/56/702047856.db2.gz ZFYBCYSMMUBBOD-VOFFAFHOSA-N 2 1 327.472 1.946 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3nccs3)C(C)(C)C2)CC[N@H+]1C ZINC000995828622 702102389 /nfs/dbraw/zinc/10/23/89/702102389.db2.gz ZWIKLTBEXVEAAE-MGPQQGTHSA-N 2 1 336.505 1.810 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nccs3)C(C)(C)C2)CC[N@@H+]1C ZINC000995828622 702102397 /nfs/dbraw/zinc/10/23/97/702102397.db2.gz ZWIKLTBEXVEAAE-MGPQQGTHSA-N 2 1 336.505 1.810 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nccs3)C(C)(C)C2)CC[N@H+]1C ZINC000995828622 702102403 /nfs/dbraw/zinc/10/24/03/702102403.db2.gz ZWIKLTBEXVEAAE-MGPQQGTHSA-N 2 1 336.505 1.810 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995835416 702112580 /nfs/dbraw/zinc/11/25/80/702112580.db2.gz XCYXERFUDWGTLC-INMHGKMJSA-N 2 1 345.491 1.452 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nccn2C)C(C)(C)C1 ZINC000995878074 702184049 /nfs/dbraw/zinc/18/40/49/702184049.db2.gz DBOPYJFHUDSVDR-JKSUJKDBSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995894977 702198794 /nfs/dbraw/zinc/19/87/94/702198794.db2.gz LKIQPOLCVHHKPU-LSDHHAIUSA-N 2 1 335.452 1.045 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1)C1CCC1 ZINC000995919463 702239821 /nfs/dbraw/zinc/23/98/21/702239821.db2.gz RFQPVNDHDAMSAC-KRWDZBQOSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3)C(C)(C)C2)O1 ZINC000995949015 702296846 /nfs/dbraw/zinc/29/68/46/702296846.db2.gz AYTMLGFEMJPHQN-NXHRZFHOSA-N 2 1 345.487 1.732 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3)C(C)(C)C2)O1 ZINC000995949015 702296851 /nfs/dbraw/zinc/29/68/51/702296851.db2.gz AYTMLGFEMJPHQN-NXHRZFHOSA-N 2 1 345.487 1.732 20 0 EDADMP CCc1ccc([C@H](O)C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032185665 702303470 /nfs/dbraw/zinc/30/34/70/702303470.db2.gz AVSCXIKZYWMPRP-RBUKOAKNSA-N 2 1 345.487 1.282 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3coc(C)n3)C2)CC[N@@H+]1C ZINC000999207199 706660559 /nfs/dbraw/zinc/66/05/59/706660559.db2.gz KOTXHWCHAFIETE-BHYGNILZSA-N 2 1 334.464 1.794 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3coc(C)n3)C2)CC[N@H+]1C ZINC000999207199 706660561 /nfs/dbraw/zinc/66/05/61/706660561.db2.gz KOTXHWCHAFIETE-BHYGNILZSA-N 2 1 334.464 1.794 20 0 EDADMP CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]Cc1cnon1 ZINC000995970936 702355315 /nfs/dbraw/zinc/35/53/15/702355315.db2.gz UQBQQKJYEWSLPU-OAHLLOKOSA-N 2 1 347.463 1.272 20 0 EDADMP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]Cc1ncccn1 ZINC000995999069 702378563 /nfs/dbraw/zinc/37/85/63/702378563.db2.gz SFRFNKFKOVARBW-HNNXBMFYSA-N 2 1 343.475 1.432 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)o1 ZINC000944166902 702404020 /nfs/dbraw/zinc/40/40/20/702404020.db2.gz ASXMSVOLUYBOFT-CZUORRHYSA-N 2 1 332.448 1.405 20 0 EDADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942056483 702504484 /nfs/dbraw/zinc/50/44/84/702504484.db2.gz HWZNJIRTTCPDGZ-HOTGVXAUSA-N 2 1 335.496 1.685 20 0 EDADMP C[C@H]1C[N@@H+](CC2CCC2)CC[C@@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942058123 702508895 /nfs/dbraw/zinc/50/88/95/702508895.db2.gz UBHWTYBDRNKRST-RDJZCZTQSA-N 2 1 347.507 1.685 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)s1 ZINC000995203299 702599287 /nfs/dbraw/zinc/59/92/87/702599287.db2.gz XCSAYKXENBPDNN-UONOGXRCSA-N 2 1 348.476 1.426 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)cn1 ZINC000996299652 702690110 /nfs/dbraw/zinc/69/01/10/702690110.db2.gz BVQPGNBRHSYBES-RDJZCZTQSA-N 2 1 345.491 1.596 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccn(C)n3)C(C)(C)C2)C1 ZINC000996300434 702691529 /nfs/dbraw/zinc/69/15/29/702691529.db2.gz MFDVIFXRKBQQBU-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996302787 702694968 /nfs/dbraw/zinc/69/49/68/702694968.db2.gz ZGFQCHGYBOMIIR-ZBFHGGJFSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC000996302787 702694969 /nfs/dbraw/zinc/69/49/69/702694969.db2.gz ZGFQCHGYBOMIIR-ZBFHGGJFSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)c(C)o1 ZINC000996302803 702695272 /nfs/dbraw/zinc/69/52/72/702695272.db2.gz ZHKKXDVBKHKMNL-SUMWQHHRSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)c(C)o1 ZINC000996302803 702695275 /nfs/dbraw/zinc/69/52/75/702695275.db2.gz ZHKKXDVBKHKMNL-SUMWQHHRSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnns2)C1 ZINC000995211977 702700160 /nfs/dbraw/zinc/70/01/60/702700160.db2.gz OHKZULNLMWLTGM-STQMWFEESA-N 2 1 334.449 1.118 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996463430 702790920 /nfs/dbraw/zinc/79/09/20/702790920.db2.gz GPSRDJGJOLQFGN-CQSZACIVSA-N 2 1 337.493 1.492 20 0 EDADMP CCn1cc(CC[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC000996605025 702914478 /nfs/dbraw/zinc/91/44/78/702914478.db2.gz ACOGFWIZMZSKNE-CRAIPNDOSA-N 2 1 347.507 1.366 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)nc1 ZINC000996611346 702916476 /nfs/dbraw/zinc/91/64/76/702916476.db2.gz MEQZVNDXVVYLAU-OAHLLOKOSA-N 2 1 331.464 1.207 20 0 EDADMP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996618244 702924916 /nfs/dbraw/zinc/92/49/16/702924916.db2.gz WWIMILIWFIOTQX-GOEBONIOSA-N 2 1 348.491 1.824 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000996664080 702962357 /nfs/dbraw/zinc/96/23/57/702962357.db2.gz DYDOZZKXHJLHQE-UHFFFAOYSA-N 2 1 349.479 1.587 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000996664080 702962359 /nfs/dbraw/zinc/96/23/59/702962359.db2.gz DYDOZZKXHJLHQE-UHFFFAOYSA-N 2 1 349.479 1.587 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996660689 702962869 /nfs/dbraw/zinc/96/28/69/702962869.db2.gz JATMLGFHMDVQAV-HNNXBMFYSA-N 2 1 337.493 1.493 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996660689 702962870 /nfs/dbraw/zinc/96/28/70/702962870.db2.gz JATMLGFHMDVQAV-HNNXBMFYSA-N 2 1 337.493 1.493 20 0 EDADMP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996665236 702967493 /nfs/dbraw/zinc/96/74/93/702967493.db2.gz AMWQVCAGTDTDDJ-OAHLLOKOSA-N 2 1 348.495 1.018 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCc1ccccc1 ZINC001032315826 702980361 /nfs/dbraw/zinc/98/03/61/702980361.db2.gz XQXHTHPJEAZMBK-FHWLQOOXSA-N 2 1 327.472 1.999 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)nn1C ZINC000996688260 702985503 /nfs/dbraw/zinc/98/55/03/702985503.db2.gz HKWHXPYPOYJTPS-GOSISDBHSA-N 2 1 347.507 1.684 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3F)CC2)O1 ZINC000996711782 703006589 /nfs/dbraw/zinc/00/65/89/703006589.db2.gz LAZLNWLFKJVTQJ-RDTXWAMCSA-N 2 1 349.450 1.625 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3F)CC2)O1 ZINC000996711782 703006591 /nfs/dbraw/zinc/00/65/91/703006591.db2.gz LAZLNWLFKJVTQJ-RDTXWAMCSA-N 2 1 349.450 1.625 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000996715420 703009986 /nfs/dbraw/zinc/00/99/86/703009986.db2.gz FYKLNDGHMWTGKI-RDJZCZTQSA-N 2 1 347.463 1.476 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000996717726 703011306 /nfs/dbraw/zinc/01/13/06/703011306.db2.gz CCIFJKSWHYWDKZ-INIZCTEOSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)sn1 ZINC000942518273 703012592 /nfs/dbraw/zinc/01/25/92/703012592.db2.gz PFZCBIKDWJBLFX-LRDDRELGSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)sn1 ZINC000942518273 703012595 /nfs/dbraw/zinc/01/25/95/703012595.db2.gz PFZCBIKDWJBLFX-LRDDRELGSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000996723351 703018368 /nfs/dbraw/zinc/01/83/68/703018368.db2.gz LXJPYQMSRORUPP-SWLSCSKDSA-N 2 1 335.452 1.504 20 0 EDADMP C[C@H]1C[N@H+](CC2CC2)CC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000942521658 703023674 /nfs/dbraw/zinc/02/36/74/703023674.db2.gz YEYIPYPIFJJWOS-GOEBONIOSA-N 2 1 330.476 1.999 20 0 EDADMP C[C@H]1C[N@@H+](CC2CC2)CC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000942521658 703023675 /nfs/dbraw/zinc/02/36/75/703023675.db2.gz YEYIPYPIFJJWOS-GOEBONIOSA-N 2 1 330.476 1.999 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)ccn1 ZINC000996798853 703085095 /nfs/dbraw/zinc/08/50/95/703085095.db2.gz QJDKLRBRNKCPJC-UHFFFAOYSA-N 2 1 343.431 1.376 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596697 703111332 /nfs/dbraw/zinc/11/13/32/703111332.db2.gz DVDWSIJTJJEGDP-YOEHRIQHSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596697 703111335 /nfs/dbraw/zinc/11/13/35/703111335.db2.gz DVDWSIJTJJEGDP-YOEHRIQHSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1C[N@H+](Cc2nccs2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596791 703111371 /nfs/dbraw/zinc/11/13/71/703111371.db2.gz GGTJWGHCYASJDK-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2nccs2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596791 703111375 /nfs/dbraw/zinc/11/13/75/703111375.db2.gz GGTJWGHCYASJDK-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)o1 ZINC000996868652 703141160 /nfs/dbraw/zinc/14/11/60/703141160.db2.gz VNPQEDAMMRTHND-UHFFFAOYSA-N 2 1 349.479 1.587 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3nnc(C)o3)CC2)C1 ZINC000996902090 703175992 /nfs/dbraw/zinc/17/59/92/703175992.db2.gz DBKKNFBTMNRHNO-OAHLLOKOSA-N 2 1 349.479 1.581 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3nnc(C)o3)CC2)C1 ZINC000996902090 703175993 /nfs/dbraw/zinc/17/59/93/703175993.db2.gz DBKKNFBTMNRHNO-OAHLLOKOSA-N 2 1 349.479 1.581 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CCc3ccnn3C)CC2)CC[N@H+]1C ZINC000996924732 703198535 /nfs/dbraw/zinc/19/85/35/703198535.db2.gz WXSBEHHPSSCBTH-HOTGVXAUSA-N 2 1 347.507 1.274 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000996996938 703260405 /nfs/dbraw/zinc/26/04/05/703260405.db2.gz CDDMRDOULBCWDX-OAHLLOKOSA-N 2 1 333.480 1.028 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)o1 ZINC000997063917 703308743 /nfs/dbraw/zinc/30/87/43/703308743.db2.gz RQCCLVUZMXQCFI-CQSZACIVSA-N 2 1 349.479 1.723 20 0 EDADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCCCO2)CC1 ZINC001032699974 706737191 /nfs/dbraw/zinc/73/71/91/706737191.db2.gz DALUTBNUJYTPMV-FHWLQOOXSA-N 2 1 349.519 1.963 20 0 EDADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC[C@@H]2CCOC2)CC1 ZINC001032699868 706737304 /nfs/dbraw/zinc/73/73/04/706737304.db2.gz ATTTXQCCXUMERQ-QYZOEREBSA-N 2 1 349.519 1.820 20 0 EDADMP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000997086604 703332197 /nfs/dbraw/zinc/33/21/97/703332197.db2.gz AHFHALAXFDUNIY-AEFFLSMTSA-N 2 1 345.491 1.518 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCCc2[nH+]ccn21)C1CC[NH+](CCCO)CC1 ZINC000997132485 703389495 /nfs/dbraw/zinc/38/94/95/703389495.db2.gz NDJUZZUPFYWKID-ZBFHGGJFSA-N 2 1 334.464 1.360 20 0 EDADMP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997131261 703390554 /nfs/dbraw/zinc/39/05/54/703390554.db2.gz DYRWSLPNAULKTF-SJLPKXTDSA-N 2 1 339.524 1.827 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000997162489 703450594 /nfs/dbraw/zinc/45/05/94/703450594.db2.gz LGIHPQQKHWMPQP-GDBMZVCRSA-N 2 1 338.496 1.095 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997185863 703475070 /nfs/dbraw/zinc/47/50/70/703475070.db2.gz SXTJGNMCBZJSJF-ZIAGYGMSSA-N 2 1 348.495 1.351 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CC[C@@H]3CCCCO3)CC2)C1 ZINC000997185853 703475100 /nfs/dbraw/zinc/47/51/00/703475100.db2.gz SVJDXMRISBNFIA-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)C1 ZINC000997188035 703477665 /nfs/dbraw/zinc/47/76/65/703477665.db2.gz YIBGXYCKCUGTOJ-HNNXBMFYSA-N 2 1 345.491 1.252 20 0 EDADMP C[C@@H](NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000921553644 703512784 /nfs/dbraw/zinc/51/27/84/703512784.db2.gz KSCCUOOLIANQIL-CTMQZQKCSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H](NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000921553644 703512785 /nfs/dbraw/zinc/51/27/85/703512785.db2.gz KSCCUOOLIANQIL-CTMQZQKCSA-N 2 1 338.496 1.412 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@H](O)c3ccc(F)cc3)CC2)C1 ZINC000997297943 703556232 /nfs/dbraw/zinc/55/62/32/703556232.db2.gz HPJGCLWNTJFNJG-YJBOKZPZSA-N 2 1 349.450 1.391 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000997334752 703562698 /nfs/dbraw/zinc/56/26/98/703562698.db2.gz HFQZBVBZVXIZFI-HNNXBMFYSA-N 2 1 345.434 1.333 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000997334752 703562699 /nfs/dbraw/zinc/56/26/99/703562699.db2.gz HFQZBVBZVXIZFI-HNNXBMFYSA-N 2 1 345.434 1.333 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000997366832 703600865 /nfs/dbraw/zinc/60/08/65/703600865.db2.gz NHXUZNZVPKKHGA-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)o2)CC1 ZINC000997367126 703601237 /nfs/dbraw/zinc/60/12/37/703601237.db2.gz UVDWXAXULSXEIA-CJNGLKHVSA-N 2 1 349.479 1.894 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC000997419674 703669950 /nfs/dbraw/zinc/66/99/50/703669950.db2.gz BTHRWMJXWFNIGQ-NVXWUHKLSA-N 2 1 345.491 1.453 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCCCO1)C12CCC[NH+](CCC1)C2 ZINC001032471988 703687427 /nfs/dbraw/zinc/68/74/27/703687427.db2.gz IRTGUVGBOVTPQX-BZSNNMDCSA-N 2 1 347.503 1.717 20 0 EDADMP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001032488361 703760990 /nfs/dbraw/zinc/76/09/90/703760990.db2.gz AONZJDRCWFNGCL-RCBQFDQVSA-N 2 1 328.416 1.576 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000997611781 703911929 /nfs/dbraw/zinc/91/19/29/703911929.db2.gz HIGFFZDPXVXGBL-YJBOKZPZSA-N 2 1 345.491 1.768 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1cnccn1 ZINC000997615844 703914909 /nfs/dbraw/zinc/91/49/09/703914909.db2.gz XBUCFYWLBUPNTF-PBHICJAKSA-N 2 1 331.464 1.460 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccon3)C2)C1 ZINC000999289679 706784380 /nfs/dbraw/zinc/78/43/80/706784380.db2.gz ITUUHGLCRNWMFR-ODIFPOPNSA-N 2 1 334.464 1.876 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccon3)C2)C1 ZINC000999289679 706784383 /nfs/dbraw/zinc/78/43/83/706784383.db2.gz ITUUHGLCRNWMFR-ODIFPOPNSA-N 2 1 334.464 1.876 20 0 EDADMP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC000999294605 706792091 /nfs/dbraw/zinc/79/20/91/706792091.db2.gz VUWWMMIWSNZPBP-WSTOCAFGSA-N 2 1 345.491 1.594 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001033081472 704136380 /nfs/dbraw/zinc/13/63/80/704136380.db2.gz NHAGJJYRUOLLCG-GDBMZVCRSA-N 2 1 334.489 1.518 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001033081472 704136381 /nfs/dbraw/zinc/13/63/81/704136381.db2.gz NHAGJJYRUOLLCG-GDBMZVCRSA-N 2 1 334.489 1.518 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001033082299 704139156 /nfs/dbraw/zinc/13/91/56/704139156.db2.gz QAFRQFKNADGLOF-ROUUACIJSA-N 2 1 343.475 1.160 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001033082299 704139158 /nfs/dbraw/zinc/13/91/58/704139158.db2.gz QAFRQFKNADGLOF-ROUUACIJSA-N 2 1 343.475 1.160 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033079971 704143822 /nfs/dbraw/zinc/14/38/22/704143822.db2.gz BEAUCGQHRICKPN-IRXDYDNUSA-N 2 1 343.475 1.160 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033079971 704143824 /nfs/dbraw/zinc/14/38/24/704143824.db2.gz BEAUCGQHRICKPN-IRXDYDNUSA-N 2 1 343.475 1.160 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000999308068 706808651 /nfs/dbraw/zinc/80/86/51/706808651.db2.gz OUHDNVDPAMXYPT-ROUUACIJSA-N 2 1 347.507 1.684 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000999302942 706806513 /nfs/dbraw/zinc/80/65/13/706806513.db2.gz GTGXVKHNAKLLQW-DLBZAZTESA-N 2 1 333.480 1.338 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC000999308214 706809126 /nfs/dbraw/zinc/80/91/26/706809126.db2.gz RBBRIILSLSNESO-MSOLQXFVSA-N 2 1 347.507 1.858 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2conc2C)C1 ZINC000999309006 706810052 /nfs/dbraw/zinc/81/00/52/706810052.db2.gz TYGZASYYTRIUPS-SJORKVTESA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccc(C)n2)C1 ZINC000999310397 706813337 /nfs/dbraw/zinc/81/33/37/706813337.db2.gz YDBBVDIXVISCFX-IAGOWNOFSA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccc(C)n2)C1 ZINC000999310397 706813339 /nfs/dbraw/zinc/81/33/39/706813339.db2.gz YDBBVDIXVISCFX-IAGOWNOFSA-N 2 1 345.491 1.740 20 0 EDADMP CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001004440633 704423342 /nfs/dbraw/zinc/42/33/42/704423342.db2.gz DTNZZFRGTXDIOK-SFHVURJKSA-N 2 1 347.507 1.781 20 0 EDADMP C[NH+](C)C1(C(=O)N2CCC([C@@H]3CCC[N@H+]3CCCO)CC2)CCC1 ZINC001004459394 704453009 /nfs/dbraw/zinc/45/30/09/704453009.db2.gz UGEIJEHHQKDNEL-KRWDZBQOSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3ncccn3)CC2)CC[N@H+]1C ZINC000997786377 704692219 /nfs/dbraw/zinc/69/22/19/704692219.db2.gz PTIWFCCGVWYNIM-GDBMZVCRSA-N 2 1 331.464 1.145 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]Cc2cncs2)CC1)C1CCC1 ZINC000997831486 704749706 /nfs/dbraw/zinc/74/97/06/704749706.db2.gz TXOBAEKZBJXKOT-UHFFFAOYSA-N 2 1 336.505 1.956 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1)C1CCC1 ZINC000997832124 704750252 /nfs/dbraw/zinc/75/02/52/704750252.db2.gz ZPXBEJCJVKHSBW-UHFFFAOYSA-N 2 1 330.476 1.894 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000997864559 704771478 /nfs/dbraw/zinc/77/14/78/704771478.db2.gz KNQQSDMACKHAGB-INIZCTEOSA-N 2 1 336.505 1.956 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ncccn2)CC1 ZINC000997868733 704773968 /nfs/dbraw/zinc/77/39/68/704773968.db2.gz WOAKQBPVTZZFRH-GOEBONIOSA-N 2 1 331.464 1.145 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ncccn2)CC1 ZINC000997868733 704773969 /nfs/dbraw/zinc/77/39/69/704773969.db2.gz WOAKQBPVTZZFRH-GOEBONIOSA-N 2 1 331.464 1.145 20 0 EDADMP CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997869403 704774366 /nfs/dbraw/zinc/77/43/66/704774366.db2.gz DFJFAQLOIHPTNW-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997869403 704774368 /nfs/dbraw/zinc/77/43/68/704774368.db2.gz DFJFAQLOIHPTNW-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CCC3CC3)CC2)C1 ZINC000997869496 704774460 /nfs/dbraw/zinc/77/44/60/704774460.db2.gz FJBQUGKLHMUQLU-MAUKXSAKSA-N 2 1 337.508 1.724 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CCC3CC3)CC2)C1 ZINC000997869496 704774462 /nfs/dbraw/zinc/77/44/62/704774462.db2.gz FJBQUGKLHMUQLU-MAUKXSAKSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)no1 ZINC000998080954 705300531 /nfs/dbraw/zinc/30/05/31/705300531.db2.gz GJPVQOOHGIHKHL-DYVFJYSZSA-N 2 1 334.464 1.509 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000998081208 705301158 /nfs/dbraw/zinc/30/11/58/705301158.db2.gz GVHIKNBLLQJNRJ-OAHLLOKOSA-N 2 1 348.466 1.891 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)no1 ZINC000998081568 705302019 /nfs/dbraw/zinc/30/20/19/705302019.db2.gz JODTXKMLSDDABO-UONOGXRCSA-N 2 1 349.479 1.609 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)no1 ZINC000998081568 705302023 /nfs/dbraw/zinc/30/20/23/705302023.db2.gz JODTXKMLSDDABO-UONOGXRCSA-N 2 1 349.479 1.609 20 0 EDADMP CCn1cc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)nn1 ZINC000998082493 705309468 /nfs/dbraw/zinc/30/94/68/705309468.db2.gz PWKZOVLEKPSAMJ-OAHLLOKOSA-N 2 1 348.495 1.111 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccccc2)CC1 ZINC001032603067 705421984 /nfs/dbraw/zinc/42/19/84/705421984.db2.gz NFMBBOAUQQQNFL-OALUTQOASA-N 2 1 327.472 1.856 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)c1ncccn1 ZINC000998216767 705539602 /nfs/dbraw/zinc/53/96/02/705539602.db2.gz KPSKZGQBZUPUPL-DOTOQJQBSA-N 2 1 345.491 1.708 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]Cc3nccs3)CC2)C1 ZINC000998218010 705540967 /nfs/dbraw/zinc/54/09/67/705540967.db2.gz VVRCSEOLVMMXNF-HNNXBMFYSA-N 2 1 336.505 1.813 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC000998266795 705635723 /nfs/dbraw/zinc/63/57/23/705635723.db2.gz REKQCTGDMIDJLI-OAHLLOKOSA-N 2 1 336.505 1.731 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000998266111 705637844 /nfs/dbraw/zinc/63/78/44/705637844.db2.gz OTHGCCCAMHGBHQ-WFASDCNBSA-N 2 1 335.452 1.219 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000998273506 705653716 /nfs/dbraw/zinc/65/37/16/705653716.db2.gz QWBKAKDYOQZKFU-OAHLLOKOSA-N 2 1 334.439 1.501 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccccn3)CC2)C1 ZINC000998282210 705676032 /nfs/dbraw/zinc/67/60/32/705676032.db2.gz FPNHAVOJFWEQKR-GOSISDBHSA-N 2 1 346.475 1.131 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccccn3)CC2)C1 ZINC000998282210 705676036 /nfs/dbraw/zinc/67/60/36/705676036.db2.gz FPNHAVOJFWEQKR-GOSISDBHSA-N 2 1 346.475 1.131 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000998288547 705688593 /nfs/dbraw/zinc/68/85/93/705688593.db2.gz VZRVYBJPKDIGQK-GASCZTMLSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)C1 ZINC001032629264 705746342 /nfs/dbraw/zinc/74/63/42/705746342.db2.gz YXYPPZPYMGQXKH-GRDNDAEWSA-N 2 1 329.435 1.844 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)C1 ZINC001032629264 705746343 /nfs/dbraw/zinc/74/63/43/705746343.db2.gz YXYPPZPYMGQXKH-GRDNDAEWSA-N 2 1 329.435 1.844 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCF)C1 ZINC001032629264 705746345 /nfs/dbraw/zinc/74/63/45/705746345.db2.gz YXYPPZPYMGQXKH-GRDNDAEWSA-N 2 1 329.435 1.844 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCF)C1 ZINC001032629264 705746347 /nfs/dbraw/zinc/74/63/47/705746347.db2.gz YXYPPZPYMGQXKH-GRDNDAEWSA-N 2 1 329.435 1.844 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998549152 705985467 /nfs/dbraw/zinc/98/54/67/705985467.db2.gz KOORYAKPFHFHQS-ABHNRTSZSA-N 2 1 347.507 1.946 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)sn1 ZINC000998553386 705990978 /nfs/dbraw/zinc/99/09/78/705990978.db2.gz WMYWIOFRSSPAHI-YIZWMMSDSA-N 2 1 338.477 1.325 20 0 EDADMP Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998582774 706019014 /nfs/dbraw/zinc/01/90/14/706019014.db2.gz KPPJPMGGJKNACT-ABHNRTSZSA-N 2 1 331.460 1.405 20 0 EDADMP Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998582774 706019015 /nfs/dbraw/zinc/01/90/15/706019015.db2.gz KPPJPMGGJKNACT-ABHNRTSZSA-N 2 1 331.460 1.405 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2noc3c2CCCC3)C1 ZINC000998718023 706149860 /nfs/dbraw/zinc/14/98/60/706149860.db2.gz AFVOXDGBPYFNTM-YOEHRIQHSA-N 2 1 346.475 1.728 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2noc3c2CCCC3)C1 ZINC000998718023 706149863 /nfs/dbraw/zinc/14/98/63/706149863.db2.gz AFVOXDGBPYFNTM-YOEHRIQHSA-N 2 1 346.475 1.728 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000998722083 706153554 /nfs/dbraw/zinc/15/35/54/706153554.db2.gz ODRONNFDSYLMEO-GJZGRUSLSA-N 2 1 336.867 1.910 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2csnn2)C1 ZINC000998762873 706201427 /nfs/dbraw/zinc/20/14/27/706201427.db2.gz IWWFZSYNRNBYPG-PESDSKBTSA-N 2 1 337.493 1.490 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2csnn2)C1 ZINC000998762873 706201430 /nfs/dbraw/zinc/20/14/30/706201430.db2.gz IWWFZSYNRNBYPG-PESDSKBTSA-N 2 1 337.493 1.490 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000998790661 706237484 /nfs/dbraw/zinc/23/74/84/706237484.db2.gz BORWVTFSUSLICZ-RKHAHWSXSA-N 2 1 331.464 1.204 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3csnn3)C2)CC[N@@H+]1C ZINC000998794144 706240807 /nfs/dbraw/zinc/24/08/07/706240807.db2.gz MJCYQDCVSFITTB-RIXNLZLZSA-N 2 1 337.493 1.347 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3csnn3)C2)CC[N@H+]1C ZINC000998794144 706240811 /nfs/dbraw/zinc/24/08/11/706240811.db2.gz MJCYQDCVSFITTB-RIXNLZLZSA-N 2 1 337.493 1.347 20 0 EDADMP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998796486 706243437 /nfs/dbraw/zinc/24/34/37/706243437.db2.gz OQYYUOCKFYDBLI-TWRYWWQQSA-N 2 1 334.464 1.656 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nncs2)C1 ZINC000998866717 706296478 /nfs/dbraw/zinc/29/64/78/706296478.db2.gz NQVTXELBOPGMDO-RUXDESIVSA-N 2 1 337.493 1.492 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nncs2)C1 ZINC000998866717 706296480 /nfs/dbraw/zinc/29/64/80/706296480.db2.gz NQVTXELBOPGMDO-RUXDESIVSA-N 2 1 337.493 1.492 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2cnc(C)nc2)C1 ZINC000999124319 706548861 /nfs/dbraw/zinc/54/88/61/706548861.db2.gz YXPDVHVAQVXGSG-UHFFFAOYSA-N 2 1 328.420 1.069 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946517912 706555162 /nfs/dbraw/zinc/55/51/62/706555162.db2.gz MBFOERVUPPTXPH-FJIDUMEYSA-N 2 1 335.492 1.288 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946517912 706555165 /nfs/dbraw/zinc/55/51/65/706555165.db2.gz MBFOERVUPPTXPH-FJIDUMEYSA-N 2 1 335.492 1.288 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946517912 706555167 /nfs/dbraw/zinc/55/51/67/706555167.db2.gz MBFOERVUPPTXPH-FJIDUMEYSA-N 2 1 335.492 1.288 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC000999350058 706862861 /nfs/dbraw/zinc/86/28/61/706862861.db2.gz WMVCRCJRZPRNMI-AWEZNQCLSA-N 2 1 334.464 1.802 20 0 EDADMP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999398075 706892206 /nfs/dbraw/zinc/89/22/06/706892206.db2.gz BTRWDSRIMCLXLB-IAGOWNOFSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)nc1 ZINC000999404396 706913470 /nfs/dbraw/zinc/91/34/70/706913470.db2.gz ZWWNEFWLFAAZSA-SJORKVTESA-N 2 1 345.491 1.740 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000999404396 706913473 /nfs/dbraw/zinc/91/34/73/706913473.db2.gz ZWWNEFWLFAAZSA-SJORKVTESA-N 2 1 345.491 1.740 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)no1 ZINC000999406992 706916412 /nfs/dbraw/zinc/91/64/12/706916412.db2.gz MMUJSHCEIKGNTQ-RDJZCZTQSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)no1 ZINC000999406992 706916413 /nfs/dbraw/zinc/91/64/13/706916413.db2.gz MMUJSHCEIKGNTQ-RDJZCZTQSA-N 2 1 334.464 1.938 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC001060879921 706991271 /nfs/dbraw/zinc/99/12/71/706991271.db2.gz QLDWGXFIVXYYHQ-HUUCEWRRSA-N 2 1 331.464 1.560 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC001060879921 706991275 /nfs/dbraw/zinc/99/12/75/706991275.db2.gz QLDWGXFIVXYYHQ-HUUCEWRRSA-N 2 1 331.464 1.560 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(F)cc3)C2)O1 ZINC000999497244 706994924 /nfs/dbraw/zinc/99/49/24/706994924.db2.gz PMMDGVMGZUKPCU-FHLIZLRMSA-N 2 1 349.450 1.625 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(F)cc3)C2)O1 ZINC000999497244 706994926 /nfs/dbraw/zinc/99/49/26/706994926.db2.gz PMMDGVMGZUKPCU-FHLIZLRMSA-N 2 1 349.450 1.625 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000999506450 707004120 /nfs/dbraw/zinc/00/41/20/707004120.db2.gz AUOOYACVRYJXIL-GOEBONIOSA-N 2 1 336.505 1.751 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCn2cncn2)C1 ZINC000999506854 707004650 /nfs/dbraw/zinc/00/46/50/707004650.db2.gz SQYCCWSAUBWICB-OFLPRAFFSA-N 2 1 348.495 1.120 20 0 EDADMP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000999512004 707010545 /nfs/dbraw/zinc/01/05/45/707010545.db2.gz OOSAQYCBPQAFMO-SJORKVTESA-N 2 1 346.475 1.655 20 0 EDADMP COc1cncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000999514324 707013304 /nfs/dbraw/zinc/01/33/04/707013304.db2.gz WAGXQMYZHYSKNG-HOCLYGCPSA-N 2 1 347.463 1.050 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC000999515054 707014294 /nfs/dbraw/zinc/01/42/94/707014294.db2.gz WWEZZSLHBIOHHL-JKSUJKDBSA-N 2 1 347.463 1.050 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(F)c3)C2)O1 ZINC000999494037 707030680 /nfs/dbraw/zinc/03/06/80/707030680.db2.gz HGYGYETWAIMZOA-FHLIZLRMSA-N 2 1 349.450 1.625 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(F)c3)C2)O1 ZINC000999494037 707030682 /nfs/dbraw/zinc/03/06/82/707030682.db2.gz HGYGYETWAIMZOA-FHLIZLRMSA-N 2 1 349.450 1.625 20 0 EDADMP Cc1nonc1CN[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999571866 707077665 /nfs/dbraw/zinc/07/76/65/707077665.db2.gz AYGIKJMGBJMPPT-WBVHZDCISA-N 2 1 349.479 1.579 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999571866 707077668 /nfs/dbraw/zinc/07/76/68/707077668.db2.gz AYGIKJMGBJMPPT-WBVHZDCISA-N 2 1 349.479 1.579 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999571866 707077671 /nfs/dbraw/zinc/07/76/71/707077671.db2.gz AYGIKJMGBJMPPT-WBVHZDCISA-N 2 1 349.479 1.579 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999572286 707078404 /nfs/dbraw/zinc/07/84/04/707078404.db2.gz CHENYJRFSFCZRU-ROUUACIJSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000999575915 707082935 /nfs/dbraw/zinc/08/29/35/707082935.db2.gz RFKALEJJSZBNJD-DOTOQJQBSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000999575915 707082937 /nfs/dbraw/zinc/08/29/37/707082937.db2.gz RFKALEJJSZBNJD-DOTOQJQBSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)co1 ZINC000999596291 707099308 /nfs/dbraw/zinc/09/93/08/707099308.db2.gz KVBSQXBTFUJYSA-HNNXBMFYSA-N 2 1 332.448 1.692 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999680887 707165588 /nfs/dbraw/zinc/16/55/88/707165588.db2.gz BTPNLHATYNBNNM-QQFBHYJXSA-N 2 1 334.464 1.712 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]2CC1)[NH+](C)C ZINC000946784184 707281424 /nfs/dbraw/zinc/28/14/24/707281424.db2.gz CVGRBOTVNWNGFF-UXLLHSPISA-N 2 1 334.464 1.685 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](CCc2csc(C)n2)C1 ZINC001033264857 707286555 /nfs/dbraw/zinc/28/65/55/707286555.db2.gz DSFXHFOUDIZSNS-MRXNPFEDSA-N 2 1 347.488 1.732 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCc2csc(C)n2)C1 ZINC001033264857 707286558 /nfs/dbraw/zinc/28/65/58/707286558.db2.gz DSFXHFOUDIZSNS-MRXNPFEDSA-N 2 1 347.488 1.732 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001033269287 707314512 /nfs/dbraw/zinc/31/45/12/707314512.db2.gz CPCOCQWEVJNSEA-KRWDZBQOSA-N 2 1 342.443 1.803 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001033269287 707314516 /nfs/dbraw/zinc/31/45/16/707314516.db2.gz CPCOCQWEVJNSEA-KRWDZBQOSA-N 2 1 342.443 1.803 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033181673 707343242 /nfs/dbraw/zinc/34/32/42/707343242.db2.gz JCRFPEHIRMEGAC-GOSISDBHSA-N 2 1 342.487 1.990 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033181673 707343249 /nfs/dbraw/zinc/34/32/49/707343249.db2.gz JCRFPEHIRMEGAC-GOSISDBHSA-N 2 1 342.487 1.990 20 0 EDADMP Cc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033184936 707367056 /nfs/dbraw/zinc/36/70/56/707367056.db2.gz MICNRHOLYWFSJY-NZSAHSFTSA-N 2 1 345.487 1.747 20 0 EDADMP Cc1ccccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033184936 707367061 /nfs/dbraw/zinc/36/70/61/707367061.db2.gz MICNRHOLYWFSJY-NZSAHSFTSA-N 2 1 345.487 1.747 20 0 EDADMP Cc1ccccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033184936 707367064 /nfs/dbraw/zinc/36/70/64/707367064.db2.gz MICNRHOLYWFSJY-NZSAHSFTSA-N 2 1 345.487 1.747 20 0 EDADMP Cc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033184936 707367071 /nfs/dbraw/zinc/36/70/71/707367071.db2.gz MICNRHOLYWFSJY-NZSAHSFTSA-N 2 1 345.487 1.747 20 0 EDADMP O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2CC1 ZINC000946797841 707425322 /nfs/dbraw/zinc/42/53/22/707425322.db2.gz LHWTVFLSVYJCFZ-YESZJQIVSA-N 2 1 346.475 1.549 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033318627 707511336 /nfs/dbraw/zinc/51/13/36/707511336.db2.gz JRIXRBSPAXKKDM-INIZCTEOSA-N 2 1 334.464 1.890 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033318627 707511340 /nfs/dbraw/zinc/51/13/40/707511340.db2.gz JRIXRBSPAXKKDM-INIZCTEOSA-N 2 1 334.464 1.890 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033320783 707516688 /nfs/dbraw/zinc/51/66/88/707516688.db2.gz WXVLLDZMSXDHHN-KRWDZBQOSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H](NCc1ncccn1)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004882048 707529765 /nfs/dbraw/zinc/52/97/65/707529765.db2.gz ZHHLXAHEPSAIIY-DOTOQJQBSA-N 2 1 345.491 1.820 20 0 EDADMP C[C@H]([NH2+]Cc1ncccn1)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004882048 707529768 /nfs/dbraw/zinc/52/97/68/707529768.db2.gz ZHHLXAHEPSAIIY-DOTOQJQBSA-N 2 1 345.491 1.820 20 0 EDADMP C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004879947 707553603 /nfs/dbraw/zinc/55/36/03/707553603.db2.gz TWWYXHKXIKRNRT-MAUKXSAKSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cnns1 ZINC001004893376 707574915 /nfs/dbraw/zinc/57/49/15/707574915.db2.gz DDZLSHLCQBLIBZ-UKRRQHHQSA-N 2 1 348.476 1.602 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccon3)C2)C1 ZINC000999973982 707586740 /nfs/dbraw/zinc/58/67/40/707586740.db2.gz MQKDLMRFGUVBJY-NVXWUHKLSA-N 2 1 334.464 1.877 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccon3)C2)C1 ZINC000999973982 707586743 /nfs/dbraw/zinc/58/67/43/707586743.db2.gz MQKDLMRFGUVBJY-NVXWUHKLSA-N 2 1 334.464 1.877 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CCOCC1 ZINC001004903543 707594769 /nfs/dbraw/zinc/59/47/69/707594769.db2.gz WFXBWLXNULHCFF-AEFFLSMTSA-N 2 1 348.491 1.977 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CCC3CC3)C2)nn1 ZINC000999964240 707629895 /nfs/dbraw/zinc/62/98/95/707629895.db2.gz WWXIGQLPDPMTHX-IAGOWNOFSA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CCC3CC3)C2)nn1 ZINC000999964240 707629899 /nfs/dbraw/zinc/62/98/99/707629899.db2.gz WWXIGQLPDPMTHX-IAGOWNOFSA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CCC3CC3)C2)nn1 ZINC000999964240 707629901 /nfs/dbraw/zinc/62/99/01/707629901.db2.gz WWXIGQLPDPMTHX-IAGOWNOFSA-N 2 1 346.479 1.035 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)ncn1 ZINC001033393574 707729045 /nfs/dbraw/zinc/72/90/45/707729045.db2.gz FRICWHOFAZCOLB-KRWDZBQOSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)ncn1 ZINC001033393574 707729051 /nfs/dbraw/zinc/72/90/51/707729051.db2.gz FRICWHOFAZCOLB-KRWDZBQOSA-N 2 1 331.464 1.160 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCOCC2)C1 ZINC001032731715 707734048 /nfs/dbraw/zinc/73/40/48/707734048.db2.gz PTXABDSKLIOLJA-BZSNNMDCSA-N 2 1 335.492 1.430 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCOCC2)C1 ZINC001032731715 707734051 /nfs/dbraw/zinc/73/40/51/707734051.db2.gz PTXABDSKLIOLJA-BZSNNMDCSA-N 2 1 335.492 1.430 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCOCC2)C1 ZINC001032731715 707734053 /nfs/dbraw/zinc/73/40/53/707734053.db2.gz PTXABDSKLIOLJA-BZSNNMDCSA-N 2 1 335.492 1.430 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccccc1F)C12CC[NH+](CC1)C2 ZINC001032734072 707743393 /nfs/dbraw/zinc/74/33/93/707743393.db2.gz VQZQPTQIUPARNW-IRXDYDNUSA-N 2 1 343.446 1.749 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccccc1F)C12CC[NH+](CC1)C2 ZINC001032734072 707743398 /nfs/dbraw/zinc/74/33/98/707743398.db2.gz VQZQPTQIUPARNW-IRXDYDNUSA-N 2 1 343.446 1.749 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033389633 707760665 /nfs/dbraw/zinc/76/06/65/707760665.db2.gz DXIDMTGHHSZFNF-INIZCTEOSA-N 2 1 349.479 1.185 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001033389636 707761098 /nfs/dbraw/zinc/76/10/98/707761098.db2.gz DZAUGCLGUPAYBC-SFHVURJKSA-N 2 1 347.507 1.320 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)sn1 ZINC001033419090 707804679 /nfs/dbraw/zinc/80/46/79/707804679.db2.gz GSYWNJAAEKMWAN-ZFWWWQNUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)sn1 ZINC001033419090 707804680 /nfs/dbraw/zinc/80/46/80/707804680.db2.gz GSYWNJAAEKMWAN-ZFWWWQNUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)sn1 ZINC001033419090 707804682 /nfs/dbraw/zinc/80/46/82/707804682.db2.gz GSYWNJAAEKMWAN-ZFWWWQNUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)sn1 ZINC001033419090 707804683 /nfs/dbraw/zinc/80/46/83/707804683.db2.gz GSYWNJAAEKMWAN-ZFWWWQNUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)no1 ZINC001004980593 707823224 /nfs/dbraw/zinc/82/32/24/707823224.db2.gz KTCUMFKVCWURCO-NVXWUHKLSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1conc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004983956 707829950 /nfs/dbraw/zinc/82/99/50/707829950.db2.gz SLJPOUNVWQCCAS-DOTOQJQBSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)s1 ZINC001033421101 707833037 /nfs/dbraw/zinc/83/30/37/707833037.db2.gz VGYPTEXMGFLPIP-HIFRSBDPSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)s1 ZINC001033421101 707833040 /nfs/dbraw/zinc/83/30/40/707833040.db2.gz VGYPTEXMGFLPIP-HIFRSBDPSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)s1 ZINC001033421101 707833044 /nfs/dbraw/zinc/83/30/44/707833044.db2.gz VGYPTEXMGFLPIP-HIFRSBDPSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)s1 ZINC001033421101 707833046 /nfs/dbraw/zinc/83/30/46/707833046.db2.gz VGYPTEXMGFLPIP-HIFRSBDPSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nc1 ZINC001000198217 707840411 /nfs/dbraw/zinc/84/04/11/707840411.db2.gz LEGLLQNMNUBBHX-INIZCTEOSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)nc1 ZINC001000198217 707840415 /nfs/dbraw/zinc/84/04/15/707840415.db2.gz LEGLLQNMNUBBHX-INIZCTEOSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1ccnc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)n1 ZINC001004990326 707851491 /nfs/dbraw/zinc/85/14/91/707851491.db2.gz HVZOBCYMRBWTHD-SJORKVTESA-N 2 1 345.491 1.740 20 0 EDADMP Cc1cnc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)o1 ZINC001004983332 707864275 /nfs/dbraw/zinc/86/42/75/707864275.db2.gz RIQWEERUQLQVKJ-CVEARBPZSA-N 2 1 346.475 1.938 20 0 EDADMP C[C@@H]([NH2+]Cc1nncs1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004995032 707883127 /nfs/dbraw/zinc/88/31/27/707883127.db2.gz XHQAXPPSAMFHTR-ZIAGYGMSSA-N 2 1 337.493 1.493 20 0 EDADMP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475309 707964908 /nfs/dbraw/zinc/96/49/08/707964908.db2.gz OKIAUGPJFBSVDH-DOTOQJQBSA-N 2 1 345.491 1.802 20 0 EDADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475309 707964913 /nfs/dbraw/zinc/96/49/13/707964913.db2.gz OKIAUGPJFBSVDH-DOTOQJQBSA-N 2 1 345.491 1.802 20 0 EDADMP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033490516 707985046 /nfs/dbraw/zinc/98/50/46/707985046.db2.gz SLUMYLPDMBHXJP-KRWDZBQOSA-N 2 1 333.480 1.391 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCOc2ccccc2)CC1 ZINC001000518358 708039132 /nfs/dbraw/zinc/03/91/32/708039132.db2.gz PKMAPKKMAVXZQC-IBGZPJMESA-N 2 1 343.471 1.908 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCOc2ccccc2)CC1 ZINC001000518358 708039133 /nfs/dbraw/zinc/03/91/33/708039133.db2.gz PKMAPKKMAVXZQC-IBGZPJMESA-N 2 1 343.471 1.908 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCOc2ccccc2)CC1 ZINC001000518358 708039135 /nfs/dbraw/zinc/03/91/35/708039135.db2.gz PKMAPKKMAVXZQC-IBGZPJMESA-N 2 1 343.471 1.908 20 0 EDADMP C[C@@H]1C[C@H](C[N@@H+]2CC=C(CNC(=O)C3CC[NH+](C)CC3)CC2)CCO1 ZINC001001117034 708101518 /nfs/dbraw/zinc/10/15/18/708101518.db2.gz SUZXKEIOMVRXOA-SJLPKXTDSA-N 2 1 349.519 1.892 20 0 EDADMP Cc1ncccc1C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001151553 708108349 /nfs/dbraw/zinc/10/83/49/708108349.db2.gz MIAYCCAHVVPJRI-BEFAXECRSA-N 2 1 342.487 1.836 20 0 EDADMP Cc1ncccc1C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001151553 708108351 /nfs/dbraw/zinc/10/83/51/708108351.db2.gz MIAYCCAHVVPJRI-BEFAXECRSA-N 2 1 342.487 1.836 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001151553 708108353 /nfs/dbraw/zinc/10/83/53/708108353.db2.gz MIAYCCAHVVPJRI-BEFAXECRSA-N 2 1 342.487 1.836 20 0 EDADMP Cc1ccncc1C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001005179322 708122175 /nfs/dbraw/zinc/12/21/75/708122175.db2.gz NAIHURZVBNKAFD-GOSISDBHSA-N 2 1 330.476 1.907 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001005183638 708134103 /nfs/dbraw/zinc/13/41/03/708134103.db2.gz JKYMYSHFDNKZKI-SJLPKXTDSA-N 2 1 337.508 1.820 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2=CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001001448651 708152203 /nfs/dbraw/zinc/15/22/03/708152203.db2.gz IRJWXSKWPYMJRW-HNNXBMFYSA-N 2 1 327.419 1.732 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NCC2=CC[N@H+](CC3CC(F)(F)C3)CC2)C1 ZINC001001448651 708152207 /nfs/dbraw/zinc/15/22/07/708152207.db2.gz IRJWXSKWPYMJRW-HNNXBMFYSA-N 2 1 327.419 1.732 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NCC2=CC[N@@H+](CC3CC(F)(F)C3)CC2)C1 ZINC001001448651 708152210 /nfs/dbraw/zinc/15/22/10/708152210.db2.gz IRJWXSKWPYMJRW-HNNXBMFYSA-N 2 1 327.419 1.732 20 0 EDADMP CN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033575351 708249293 /nfs/dbraw/zinc/24/92/93/708249293.db2.gz QVOKJKRTFHTQII-PKOBYXMFSA-N 2 1 349.519 1.678 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC3CCC3)CC2)C1 ZINC001001757273 708280873 /nfs/dbraw/zinc/28/08/73/708280873.db2.gz QZTPDNNLQDWDSU-SFHVURJKSA-N 2 1 337.508 1.724 20 0 EDADMP CC[C@@H](C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001757556 708281217 /nfs/dbraw/zinc/28/12/17/708281217.db2.gz VLFBQAWVISHMJJ-AEFFLSMTSA-N 2 1 339.524 1.970 20 0 EDADMP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC001001835070 708361571 /nfs/dbraw/zinc/36/15/71/708361571.db2.gz VDBVRUIOUORELR-CJNGLKHVSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC001001835070 708361575 /nfs/dbraw/zinc/36/15/75/708361575.db2.gz VDBVRUIOUORELR-CJNGLKHVSA-N 2 1 334.464 1.509 20 0 EDADMP CCOc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033665780 708449461 /nfs/dbraw/zinc/44/94/61/708449461.db2.gz REDVGCGCEGUECJ-NVXWUHKLSA-N 2 1 346.475 1.465 20 0 EDADMP CCOc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033665780 708449463 /nfs/dbraw/zinc/44/94/63/708449463.db2.gz REDVGCGCEGUECJ-NVXWUHKLSA-N 2 1 346.475 1.465 20 0 EDADMP CCOc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001033665780 708449466 /nfs/dbraw/zinc/44/94/66/708449466.db2.gz REDVGCGCEGUECJ-NVXWUHKLSA-N 2 1 346.475 1.465 20 0 EDADMP CCOc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033665780 708449469 /nfs/dbraw/zinc/44/94/69/708449469.db2.gz REDVGCGCEGUECJ-NVXWUHKLSA-N 2 1 346.475 1.465 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)s1 ZINC001033659869 708471564 /nfs/dbraw/zinc/47/15/64/708471564.db2.gz ZJSBBAJDKPGHFA-OAHLLOKOSA-N 2 1 336.505 1.888 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC001033660561 708473257 /nfs/dbraw/zinc/47/32/57/708473257.db2.gz IGICCEMSTMAWQC-NVXWUHKLSA-N 2 1 349.450 1.689 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC001033660561 708473259 /nfs/dbraw/zinc/47/32/59/708473259.db2.gz IGICCEMSTMAWQC-NVXWUHKLSA-N 2 1 349.450 1.689 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC001033660561 708473262 /nfs/dbraw/zinc/47/32/62/708473262.db2.gz IGICCEMSTMAWQC-NVXWUHKLSA-N 2 1 349.450 1.689 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](C/C=C/Cl)CC2)C1 ZINC001002138773 708675752 /nfs/dbraw/zinc/67/57/52/708675752.db2.gz MWOXQXCTXQUQKK-YFCVBGDOSA-N 2 1 329.872 1.288 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](C/C=C/Cl)CC2)C1 ZINC001002138773 708675755 /nfs/dbraw/zinc/67/57/55/708675755.db2.gz MWOXQXCTXQUQKK-YFCVBGDOSA-N 2 1 329.872 1.288 20 0 EDADMP CN(C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)C1CCN(Cc2ccon2)CC1 ZINC001005392120 708865767 /nfs/dbraw/zinc/86/57/67/708865767.db2.gz WUMQQEYXJYQCDL-CRAIPNDOSA-N 2 1 346.475 1.972 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001005415078 708933293 /nfs/dbraw/zinc/93/32/93/708933293.db2.gz JSGWNWLNYNCUTK-ZWKOTPCHSA-N 2 1 347.507 1.573 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCOC)C2)C1 ZINC001033932628 709090491 /nfs/dbraw/zinc/09/04/91/709090491.db2.gz QKRVTQPKSAYJEF-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC001033932628 709090493 /nfs/dbraw/zinc/09/04/93/709090493.db2.gz QKRVTQPKSAYJEF-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC001033932628 709090495 /nfs/dbraw/zinc/09/04/95/709090495.db2.gz QKRVTQPKSAYJEF-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005474222 709110413 /nfs/dbraw/zinc/11/04/13/709110413.db2.gz AKXMDBGIAKEDAX-WMZOPIPTSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033941257 709147790 /nfs/dbraw/zinc/14/77/90/709147790.db2.gz OGQGKWIPGUWTFO-QGZVFWFLSA-N 2 1 333.480 1.185 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033941257 709147793 /nfs/dbraw/zinc/14/77/93/709147793.db2.gz OGQGKWIPGUWTFO-QGZVFWFLSA-N 2 1 333.480 1.185 20 0 EDADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034004687 709244098 /nfs/dbraw/zinc/24/40/98/709244098.db2.gz PJVFJQZDVKKNFX-WBVHZDCISA-N 2 1 325.497 1.410 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCn2nc(C)cc2C)C1 ZINC001034039401 709272149 /nfs/dbraw/zinc/27/21/49/709272149.db2.gz IISCJJJYAQGKHX-QZTJIDSGSA-N 2 1 347.507 1.374 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001034039401 709272152 /nfs/dbraw/zinc/27/21/52/709272152.db2.gz IISCJJJYAQGKHX-QZTJIDSGSA-N 2 1 347.507 1.374 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001034039401 709272156 /nfs/dbraw/zinc/27/21/56/709272156.db2.gz IISCJJJYAQGKHX-QZTJIDSGSA-N 2 1 347.507 1.374 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC001034040914 709288701 /nfs/dbraw/zinc/28/87/01/709288701.db2.gz ZPYQQBZRTUEUHP-CVEARBPZSA-N 2 1 334.464 1.666 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2c(C)noc2C)C1 ZINC001034040914 709288703 /nfs/dbraw/zinc/28/87/03/709288703.db2.gz ZPYQQBZRTUEUHP-CVEARBPZSA-N 2 1 334.464 1.666 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2c(C)noc2C)C1 ZINC001034040914 709288707 /nfs/dbraw/zinc/28/87/07/709288707.db2.gz ZPYQQBZRTUEUHP-CVEARBPZSA-N 2 1 334.464 1.666 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(Cc2ccc(F)cn2)C1 ZINC001034139158 709389186 /nfs/dbraw/zinc/38/91/86/709389186.db2.gz RQZZZJYOAXRHHA-SJORKVTESA-N 2 1 334.439 1.786 20 0 EDADMP CN1CCC[C@H]1C(=O)N[C@@H]1CCCCN(Cc2ccc(F)cn2)C1 ZINC001034139158 709389189 /nfs/dbraw/zinc/38/91/89/709389189.db2.gz RQZZZJYOAXRHHA-SJORKVTESA-N 2 1 334.439 1.786 20 0 EDADMP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001002808671 709411167 /nfs/dbraw/zinc/41/11/67/709411167.db2.gz FBIFQHRRTALRDQ-IEBWSBKVSA-N 2 1 349.519 1.868 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](CC2CCOCC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034210798 709561483 /nfs/dbraw/zinc/56/14/83/709561483.db2.gz JRCOXHNKCLJQKH-RBUKOAKNSA-N 2 1 349.519 1.726 20 0 EDADMP COCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034239064 709620519 /nfs/dbraw/zinc/62/05/19/709620519.db2.gz QYOYTNBVJPYTMP-IRXDYDNUSA-N 2 1 325.497 1.581 20 0 EDADMP COCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034239064 709620522 /nfs/dbraw/zinc/62/05/22/709620522.db2.gz QYOYTNBVJPYTMP-IRXDYDNUSA-N 2 1 325.497 1.581 20 0 EDADMP COCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034239064 709620524 /nfs/dbraw/zinc/62/05/24/709620524.db2.gz QYOYTNBVJPYTMP-IRXDYDNUSA-N 2 1 325.497 1.581 20 0 EDADMP COC[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034257524 709642156 /nfs/dbraw/zinc/64/21/56/709642156.db2.gz KIARMJLJOOGJJI-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](CCC2CCOCC2)C1 ZINC001034310255 709753610 /nfs/dbraw/zinc/75/36/10/709753610.db2.gz VEYFVERWMHYZGL-GOSISDBHSA-N 2 1 348.491 1.979 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2CCOCC2)C1 ZINC001034310255 709753611 /nfs/dbraw/zinc/75/36/11/709753611.db2.gz VEYFVERWMHYZGL-GOSISDBHSA-N 2 1 348.491 1.979 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@@H]3CCCOC3)C2)CC1 ZINC001034386858 709915700 /nfs/dbraw/zinc/91/57/00/709915700.db2.gz UWGQSLRBXIFJPR-FUHWJXTLSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CCc2ccnn2C)C1 ZINC001034395546 709929178 /nfs/dbraw/zinc/92/91/78/709929178.db2.gz AAZFLMZULYGYAA-IRXDYDNUSA-N 2 1 347.507 1.418 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CCc2ccnn2C)C1 ZINC001034395546 709929181 /nfs/dbraw/zinc/92/91/81/709929181.db2.gz AAZFLMZULYGYAA-IRXDYDNUSA-N 2 1 347.507 1.418 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CCc2ccnn2C)C1 ZINC001034395546 709929185 /nfs/dbraw/zinc/92/91/85/709929185.db2.gz AAZFLMZULYGYAA-IRXDYDNUSA-N 2 1 347.507 1.418 20 0 EDADMP Cn1nncc1CN1CCCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034394938 709931797 /nfs/dbraw/zinc/93/17/97/709931797.db2.gz SGDCPVYKGPBWQD-HNNXBMFYSA-N 2 1 348.495 1.018 20 0 EDADMP CCc1nocc1C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003168678 710081193 /nfs/dbraw/zinc/08/11/93/710081193.db2.gz SICVBGLDGZXPBN-QGZVFWFLSA-N 2 1 334.464 1.802 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490830 710110273 /nfs/dbraw/zinc/11/02/73/710110273.db2.gz OCPOSIXPOAZOMI-WMZOPIPTSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034490830 710110274 /nfs/dbraw/zinc/11/02/74/710110274.db2.gz OCPOSIXPOAZOMI-WMZOPIPTSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034490830 710110276 /nfs/dbraw/zinc/11/02/76/710110276.db2.gz OCPOSIXPOAZOMI-WMZOPIPTSA-N 2 1 347.507 1.541 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](Cc3cccnc3)C2)C1 ZINC001034491102 710110960 /nfs/dbraw/zinc/11/09/60/710110960.db2.gz QKYYGWODKGLKMQ-WMZOPIPTSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@H+](Cc3cccnc3)C2)C1 ZINC001034491102 710110963 /nfs/dbraw/zinc/11/09/63/710110963.db2.gz QKYYGWODKGLKMQ-WMZOPIPTSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@@H+](Cc3cccnc3)C2)C1 ZINC001034491102 710110966 /nfs/dbraw/zinc/11/09/66/710110966.db2.gz QKYYGWODKGLKMQ-WMZOPIPTSA-N 2 1 330.476 1.894 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](CCn3cccn3)C2)C1 ZINC001034491364 710111549 /nfs/dbraw/zinc/11/15/49/710111549.db2.gz TVHDYSGOIOGUKG-DLBZAZTESA-N 2 1 333.480 1.196 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@H+](CCn3cccn3)C2)C1 ZINC001034491364 710111552 /nfs/dbraw/zinc/11/15/52/710111552.db2.gz TVHDYSGOIOGUKG-DLBZAZTESA-N 2 1 333.480 1.196 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@@H+](CCn3cccn3)C2)C1 ZINC001034491364 710111554 /nfs/dbraw/zinc/11/15/54/710111554.db2.gz TVHDYSGOIOGUKG-DLBZAZTESA-N 2 1 333.480 1.196 20 0 EDADMP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003229436 710150500 /nfs/dbraw/zinc/15/05/00/710150500.db2.gz GLMXJYNOOYICJN-WBVHZDCISA-N 2 1 325.497 1.722 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003243024 710165832 /nfs/dbraw/zinc/16/58/32/710165832.db2.gz PRCWLLODUSOBRF-UHFFFAOYSA-N 2 1 349.504 1.556 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034526196 710177895 /nfs/dbraw/zinc/17/78/95/710177895.db2.gz VPLUYKKCEZIZBH-JKSUJKDBSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034526196 710177896 /nfs/dbraw/zinc/17/78/96/710177896.db2.gz VPLUYKKCEZIZBH-JKSUJKDBSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034526196 710177898 /nfs/dbraw/zinc/17/78/98/710177898.db2.gz VPLUYKKCEZIZBH-JKSUJKDBSA-N 2 1 334.464 1.714 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CC[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001003491730 710374249 /nfs/dbraw/zinc/37/42/49/710374249.db2.gz HBXKNOSHMRPEDW-ULQDDVLXSA-N 2 1 337.508 1.724 20 0 EDADMP CCc1nocc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003626720 710448421 /nfs/dbraw/zinc/44/84/21/710448421.db2.gz VSOOCKRRQYZQLQ-CQSZACIVSA-N 2 1 334.464 1.659 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)ncn1 ZINC001003625449 710454814 /nfs/dbraw/zinc/45/48/14/710454814.db2.gz GKWSVVSRCUHGON-AWEZNQCLSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)ncn1 ZINC001003625449 710454816 /nfs/dbraw/zinc/45/48/16/710454816.db2.gz GKWSVVSRCUHGON-AWEZNQCLSA-N 2 1 331.464 1.207 20 0 EDADMP CC[C@H](C[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1)OC ZINC001003629654 710459243 /nfs/dbraw/zinc/45/92/43/710459243.db2.gz DCMKGGKZAURNQY-MRXNPFEDSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001003630023 710459732 /nfs/dbraw/zinc/45/97/32/710459732.db2.gz HXYREEQDTJEPIN-DOTOQJQBSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1ccncc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003632779 710461410 /nfs/dbraw/zinc/46/14/10/710461410.db2.gz CISPRJDEQYDCSB-MAUKXSAKSA-N 2 1 330.476 1.668 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC001003634433 710462099 /nfs/dbraw/zinc/46/20/99/710462099.db2.gz KIBUEIRXFHSZDK-YOEHRIQHSA-N 2 1 346.475 1.369 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC001003634433 710462100 /nfs/dbraw/zinc/46/21/00/710462100.db2.gz KIBUEIRXFHSZDK-YOEHRIQHSA-N 2 1 346.475 1.369 20 0 EDADMP Cc1nc(C)c(C)c(N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001061327280 710576341 /nfs/dbraw/zinc/57/63/41/710576341.db2.gz GMGWVYRCLRMKSC-JKSUJKDBSA-N 2 1 331.464 1.581 20 0 EDADMP Cc1nc(C)c(C)c(N2CCC[C@H]2CNC(=O)[C@H]2CCCN2C)n1 ZINC001061327280 710576342 /nfs/dbraw/zinc/57/63/42/710576342.db2.gz GMGWVYRCLRMKSC-JKSUJKDBSA-N 2 1 331.464 1.581 20 0 EDADMP Cn1nccc1CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034672636 710605902 /nfs/dbraw/zinc/60/59/02/710605902.db2.gz PYLLWJIHUTXYOJ-JFIYKMOQSA-N 2 1 347.507 1.464 20 0 EDADMP Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC001034673473 710611328 /nfs/dbraw/zinc/61/13/28/710611328.db2.gz BEZHWQPDUHPLOV-ZOBUZTSGSA-N 2 1 333.480 1.421 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(C)n(C)n2)CC1 ZINC001034692986 710782549 /nfs/dbraw/zinc/78/25/49/710782549.db2.gz QYSDCOILCXGEEY-WKILWMFISA-N 2 1 344.463 1.451 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC001034693067 710783541 /nfs/dbraw/zinc/78/35/41/710783541.db2.gz UGNCFELDIKPVOZ-QAETUUGQSA-N 2 1 334.464 1.776 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC001034693024 710783754 /nfs/dbraw/zinc/78/37/54/710783754.db2.gz SDKMPEUNWAYGMO-WKILWMFISA-N 2 1 327.432 1.804 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3csnn3)CC2)CC1 ZINC001034721655 710873565 /nfs/dbraw/zinc/87/35/65/710873565.db2.gz PRWOCYDATCHILW-HDJSIYSDSA-N 2 1 337.493 1.397 20 0 EDADMP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)no1 ZINC001034722450 710889670 /nfs/dbraw/zinc/88/96/70/710889670.db2.gz ZZXRLRBDPGSSMW-RCBQFDQVSA-N 2 1 349.479 1.798 20 0 EDADMP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001034733813 710914556 /nfs/dbraw/zinc/91/45/56/710914556.db2.gz DKMGOVDFFRCAGU-JYJNAYRXSA-N 2 1 348.495 1.157 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034735709 710922027 /nfs/dbraw/zinc/92/20/27/710922027.db2.gz MKZOMXUMPBROPK-JYJNAYRXSA-N 2 1 333.480 1.421 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034738871 710932158 /nfs/dbraw/zinc/93/21/58/710932158.db2.gz WXUGHYVBMCWRLF-CYUUQNCZSA-N 2 1 335.452 1.093 20 0 EDADMP COCc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032969393 711048199 /nfs/dbraw/zinc/04/81/99/711048199.db2.gz WKIHRVBEJKZZDT-RTBURBONSA-N 2 1 345.487 1.960 20 0 EDADMP COCc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001032969393 711048201 /nfs/dbraw/zinc/04/82/01/711048201.db2.gz WKIHRVBEJKZZDT-RTBURBONSA-N 2 1 345.487 1.960 20 0 EDADMP COCc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001032969393 711048205 /nfs/dbraw/zinc/04/82/05/711048205.db2.gz WKIHRVBEJKZZDT-RTBURBONSA-N 2 1 345.487 1.960 20 0 EDADMP Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034779132 711083428 /nfs/dbraw/zinc/08/34/28/711083428.db2.gz RBZYBDCAUPXXDO-JYJNAYRXSA-N 2 1 333.480 1.279 20 0 EDADMP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034779435 711085868 /nfs/dbraw/zinc/08/58/68/711085868.db2.gz UZDMUEFIECFUBS-BZUAXINKSA-N 2 1 333.480 1.279 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001034792447 711119481 /nfs/dbraw/zinc/11/94/81/711119481.db2.gz JRKQWUPOKGIRSP-LUKYLMHMSA-N 2 1 337.508 1.770 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cc4n(n3)CCC4)CC2)C1 ZINC001034793372 711123631 /nfs/dbraw/zinc/12/36/31/711123631.db2.gz YMSSHORXTOBDTJ-JYJNAYRXSA-N 2 1 345.491 1.298 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1c3c(nn1C)CCCC3)C2 ZINC000922387688 711428177 /nfs/dbraw/zinc/42/81/77/711428177.db2.gz AELDRMTWYHDSHI-AFYVEPGGSA-N 2 1 346.519 1.868 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC001034958107 711431141 /nfs/dbraw/zinc/43/11/41/711431141.db2.gz ACTVLIWSULEQQM-IAGOWNOFSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC001034958107 711431143 /nfs/dbraw/zinc/43/11/43/711431143.db2.gz ACTVLIWSULEQQM-IAGOWNOFSA-N 2 1 348.495 1.159 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)s1 ZINC001034958893 711432590 /nfs/dbraw/zinc/43/25/90/711432590.db2.gz OHINGGPAPDVSBZ-UKRRQHHQSA-N 2 1 337.493 1.267 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nccs2)CC[N@H+]1C ZINC001034940975 711445002 /nfs/dbraw/zinc/44/50/02/711445002.db2.gz JHZNDOINLUZTKQ-QLFBSQMISA-N 2 1 336.505 1.954 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3C[C@H]4CC[C@@H](C3)S4)cn2)CC1 ZINC000922422593 711499121 /nfs/dbraw/zinc/49/91/21/711499121.db2.gz OCVXUKMNPYXMGK-ZXFUBFMLSA-N 2 1 347.532 1.992 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)cc1 ZINC001004152533 711549505 /nfs/dbraw/zinc/54/95/05/711549505.db2.gz UGEGOCAVCHOFLK-UHFFFAOYSA-N 2 1 342.443 1.981 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@H]2CCC[N@H+]2C[C@H](C)O)CC1 ZINC001004485313 711864718 /nfs/dbraw/zinc/86/47/18/711864718.db2.gz PSLVLJHDTVGJHJ-DOTOQJQBSA-N 2 1 334.464 1.275 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@H]2CCC[N@@H+]2C[C@H](C)O)CC1 ZINC001004485313 711864719 /nfs/dbraw/zinc/86/47/19/711864719.db2.gz PSLVLJHDTVGJHJ-DOTOQJQBSA-N 2 1 334.464 1.275 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000557670594 306232813 /nfs/dbraw/zinc/23/28/13/306232813.db2.gz XFYCRBSYTUWQDO-AEFFLSMTSA-N 2 1 330.476 1.704 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000557670594 306232814 /nfs/dbraw/zinc/23/28/14/306232814.db2.gz XFYCRBSYTUWQDO-AEFFLSMTSA-N 2 1 330.476 1.704 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000557670594 306232815 /nfs/dbraw/zinc/23/28/15/306232815.db2.gz XFYCRBSYTUWQDO-AEFFLSMTSA-N 2 1 330.476 1.704 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)cc1 ZINC000053299161 214176651 /nfs/dbraw/zinc/17/66/51/214176651.db2.gz BQISBKIBEKIXBO-UHFFFAOYSA-N 2 1 340.265 1.703 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCC[C@@H](CO)C1)c1ccccc1 ZINC000363827195 282171220 /nfs/dbraw/zinc/17/12/20/282171220.db2.gz RUMSVCFQOOQBPX-AEFFLSMTSA-N 2 1 333.476 1.500 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)c1ccco1 ZINC000153484237 282177571 /nfs/dbraw/zinc/17/75/71/282177571.db2.gz NGCKJZYPCBOSGU-HOTGVXAUSA-N 2 1 335.448 1.642 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)c1ccco1 ZINC000153484237 282177573 /nfs/dbraw/zinc/17/75/73/282177573.db2.gz NGCKJZYPCBOSGU-HOTGVXAUSA-N 2 1 335.448 1.642 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000370601992 282184476 /nfs/dbraw/zinc/18/44/76/282184476.db2.gz CINIWQDOXWQUFU-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2cnn(CC(F)(F)F)c2)CC1(C)C ZINC000441345174 539333938 /nfs/dbraw/zinc/33/39/38/539333938.db2.gz KCIUSJATDFYOAW-UHFFFAOYSA-N 2 1 333.402 1.561 20 0 EDADMP CN(CC[N@H+](C)C1CC1)C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000186744570 529901639 /nfs/dbraw/zinc/90/16/39/529901639.db2.gz SUPXUDFWCZRELQ-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000186744570 529901640 /nfs/dbraw/zinc/90/16/40/529901640.db2.gz SUPXUDFWCZRELQ-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000186744570 529901642 /nfs/dbraw/zinc/90/16/42/529901642.db2.gz SUPXUDFWCZRELQ-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000186744570 529901643 /nfs/dbraw/zinc/90/16/43/529901643.db2.gz SUPXUDFWCZRELQ-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000101646430 219151126 /nfs/dbraw/zinc/15/11/26/219151126.db2.gz JILVUOOSJBQHMR-QGZVFWFLSA-N 2 1 346.519 1.781 20 0 EDADMP COCc1cc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000178673078 232362480 /nfs/dbraw/zinc/36/24/80/232362480.db2.gz XXXTWUQQYGOTCB-HNNXBMFYSA-N 2 1 349.475 1.656 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000436125043 539569611 /nfs/dbraw/zinc/56/96/11/539569611.db2.gz PABRBHMKIUODEE-HUUCEWRRSA-N 2 1 328.501 1.203 20 0 EDADMP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561157096 306283216 /nfs/dbraw/zinc/28/32/16/306283216.db2.gz USWUJJRTPOZTHP-IBGZPJMESA-N 2 1 345.487 1.737 20 0 EDADMP COCCN(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000562441645 306298603 /nfs/dbraw/zinc/29/86/03/306298603.db2.gz CNCICXTXLKKBJH-RTBURBONSA-N 2 1 335.492 1.526 20 0 EDADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H](OC)C[NH+]2C)C1 ZINC000344929373 539821100 /nfs/dbraw/zinc/82/11/00/539821100.db2.gz MAIJPTRLDYUTSY-PMPSAXMXSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H](OC)C[NH+]2C)C1 ZINC000344929373 539821102 /nfs/dbraw/zinc/82/11/02/539821102.db2.gz MAIJPTRLDYUTSY-PMPSAXMXSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)C1 ZINC000344929373 539821104 /nfs/dbraw/zinc/82/11/04/539821104.db2.gz MAIJPTRLDYUTSY-PMPSAXMXSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)C1 ZINC000344929373 539821106 /nfs/dbraw/zinc/82/11/06/539821106.db2.gz MAIJPTRLDYUTSY-PMPSAXMXSA-N 2 1 325.497 1.722 20 0 EDADMP C[NH+]1CCC[C@@H](CNc2nccnc2NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000166511928 539926380 /nfs/dbraw/zinc/92/63/80/539926380.db2.gz ALFPMCLGWMUIIQ-IYBDPMFKSA-N 2 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@H](CNc2nccnc2NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000166511928 539926384 /nfs/dbraw/zinc/92/63/84/539926384.db2.gz ALFPMCLGWMUIIQ-IYBDPMFKSA-N 2 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@H](CNc2nccnc2NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000166511928 539926389 /nfs/dbraw/zinc/92/63/89/539926389.db2.gz ALFPMCLGWMUIIQ-IYBDPMFKSA-N 2 1 332.496 1.984 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000562748814 306307793 /nfs/dbraw/zinc/30/77/93/306307793.db2.gz RIQNOXQXHCKATD-QGZVFWFLSA-N 2 1 332.448 1.435 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000563113305 306318754 /nfs/dbraw/zinc/31/87/54/306318754.db2.gz OVXXJBYLVIIZDT-QGZVFWFLSA-N 2 1 328.460 1.648 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1CCCOCC1 ZINC000187031446 540153046 /nfs/dbraw/zinc/15/30/46/540153046.db2.gz WKELBJNAEVUBMG-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187031446 540153048 /nfs/dbraw/zinc/15/30/48/540153048.db2.gz WKELBJNAEVUBMG-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000187031446 540153050 /nfs/dbraw/zinc/15/30/50/540153050.db2.gz WKELBJNAEVUBMG-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000563580473 306339546 /nfs/dbraw/zinc/33/95/46/306339546.db2.gz IXNNISIBRMANSK-DJIMGWMZSA-N 2 1 332.448 1.191 20 0 EDADMP Cn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(=O)n(C)c1=O ZINC000093016792 138291191 /nfs/dbraw/zinc/29/11/91/138291191.db2.gz ZQFHXVJXHOIOPB-MRXNPFEDSA-N 2 1 348.491 1.172 20 0 EDADMP Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(=O)n(C)c1=O ZINC000093016792 138291192 /nfs/dbraw/zinc/29/11/92/138291192.db2.gz ZQFHXVJXHOIOPB-MRXNPFEDSA-N 2 1 348.491 1.172 20 0 EDADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000093609707 138294096 /nfs/dbraw/zinc/29/40/96/138294096.db2.gz WPFRURDCZYTFKJ-ZACQAIPSSA-N 2 1 345.491 1.474 20 0 EDADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000093609707 138294097 /nfs/dbraw/zinc/29/40/97/138294097.db2.gz WPFRURDCZYTFKJ-ZACQAIPSSA-N 2 1 345.491 1.474 20 0 EDADMP CC[N@H+](C)C[C@@H]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093770439 138294507 /nfs/dbraw/zinc/29/45/07/138294507.db2.gz HEFVIKIKHYWGJW-INIZCTEOSA-N 2 1 332.496 1.002 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093770439 138294508 /nfs/dbraw/zinc/29/45/08/138294508.db2.gz HEFVIKIKHYWGJW-INIZCTEOSA-N 2 1 332.496 1.002 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000124429796 138326598 /nfs/dbraw/zinc/32/65/98/138326598.db2.gz RENDTTZJDSHJHL-UHFFFAOYSA-N 2 1 332.483 1.579 20 0 EDADMP CC[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[NH+](C)C ZINC000125085898 138331948 /nfs/dbraw/zinc/33/19/48/138331948.db2.gz TZPVVZNSUKHYQX-QZTJIDSGSA-N 2 1 333.476 1.600 20 0 EDADMP COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000132251142 138373729 /nfs/dbraw/zinc/37/37/29/138373729.db2.gz CJQXEOXEBLJEGB-INIZCTEOSA-N 2 1 339.480 1.110 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000563799015 306347392 /nfs/dbraw/zinc/34/73/92/306347392.db2.gz IIOADASQUPPADO-BBWFWOEESA-N 2 1 338.496 1.128 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)CC1 ZINC000357608222 283319704 /nfs/dbraw/zinc/31/97/04/283319704.db2.gz LZYJDEZHXBZGEK-NVXWUHKLSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000565206464 306378297 /nfs/dbraw/zinc/37/82/97/306378297.db2.gz FXJSRIKNQBVTGT-KRWDZBQOSA-N 2 1 327.432 1.231 20 0 EDADMP CN(C)c1[nH+]cc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)n1C ZINC000414365330 304112218 /nfs/dbraw/zinc/11/22/18/304112218.db2.gz KTMFIBNIJMKOQM-UHFFFAOYSA-N 2 1 344.463 1.966 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000565945040 306395003 /nfs/dbraw/zinc/39/50/03/306395003.db2.gz CCXLRLBXMUGNMK-MGPQQGTHSA-N 2 1 343.518 1.346 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000566066475 306397543 /nfs/dbraw/zinc/39/75/43/306397543.db2.gz UQIASTOKEDTJGF-PKOBYXMFSA-N 2 1 344.503 1.261 20 0 EDADMP Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1)CCC2 ZINC000414698483 304129489 /nfs/dbraw/zinc/12/94/89/304129489.db2.gz RAKOEOSBAUXICF-UKRRQHHQSA-N 2 1 336.505 1.958 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000155251420 296109504 /nfs/dbraw/zinc/10/95/04/296109504.db2.gz IQRCHNIQUOICSZ-GOSISDBHSA-N 2 1 335.492 1.717 20 0 EDADMP CCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000415134366 304163161 /nfs/dbraw/zinc/16/31/61/304163161.db2.gz DPFGPMDPYWXQOZ-RTBURBONSA-N 2 1 342.487 1.969 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000415143317 304164167 /nfs/dbraw/zinc/16/41/67/304164167.db2.gz BTGMHQWKIOZASN-ZIAGYGMSSA-N 2 1 344.459 1.212 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000415143317 304164171 /nfs/dbraw/zinc/16/41/71/304164171.db2.gz BTGMHQWKIOZASN-ZIAGYGMSSA-N 2 1 344.459 1.212 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000236923399 139035244 /nfs/dbraw/zinc/03/52/44/139035244.db2.gz XPXFEOSYLBWCRM-MJGOQNOKSA-N 2 1 346.519 1.684 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000237034485 139038712 /nfs/dbraw/zinc/03/87/12/139038712.db2.gz FFULNWJVEWOULR-YVEFUNNKSA-N 2 1 333.480 1.894 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237202581 139044069 /nfs/dbraw/zinc/04/40/69/139044069.db2.gz GGTQEYBWUONFNA-RBUKOAKNSA-N 2 1 344.503 1.624 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237202581 139044070 /nfs/dbraw/zinc/04/40/70/139044070.db2.gz GGTQEYBWUONFNA-RBUKOAKNSA-N 2 1 344.503 1.624 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237202581 139044071 /nfs/dbraw/zinc/04/40/71/139044071.db2.gz GGTQEYBWUONFNA-RBUKOAKNSA-N 2 1 344.503 1.624 20 0 EDADMP C[NH2+]CCCC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000237233244 139045208 /nfs/dbraw/zinc/04/52/08/139045208.db2.gz ILCGDYFGLXRYCW-UHFFFAOYSA-N 2 1 348.447 1.021 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)[C@H]3CCC[C@H]3[NH3+])CC2)nc(C)[nH+]1 ZINC000237289634 139046691 /nfs/dbraw/zinc/04/66/91/139046691.db2.gz IABYUDNNJFIGSQ-JKSUJKDBSA-N 2 1 331.464 1.648 20 0 EDADMP C[C@H](c1ccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1)[NH+]1CCOCC1 ZINC000237399210 139049955 /nfs/dbraw/zinc/04/99/55/139049955.db2.gz QWCROHNFFCZXJW-QAPCUYQASA-N 2 1 347.459 1.787 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000237440557 139051258 /nfs/dbraw/zinc/05/12/58/139051258.db2.gz AWQRVFBEWJLGEV-YTQUADARSA-N 2 1 344.503 1.561 20 0 EDADMP [NH3+]Cc1nc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cs1 ZINC000238036429 139067290 /nfs/dbraw/zinc/06/72/90/139067290.db2.gz HYQQHTBYHAYIOA-HNNXBMFYSA-N 2 1 344.484 1.896 20 0 EDADMP [NH3+]Cc1nc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cs1 ZINC000238036429 139067291 /nfs/dbraw/zinc/06/72/91/139067291.db2.gz HYQQHTBYHAYIOA-HNNXBMFYSA-N 2 1 344.484 1.896 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000111855363 220210044 /nfs/dbraw/zinc/21/00/44/220210044.db2.gz QNEASIKNXUJIKP-UHFFFAOYSA-N 2 1 326.485 1.082 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000415248526 304178820 /nfs/dbraw/zinc/17/88/20/304178820.db2.gz WOIJULNOVBGLPZ-IBGZPJMESA-N 2 1 344.459 1.289 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000245569230 139079778 /nfs/dbraw/zinc/07/97/78/139079778.db2.gz VZRPGLAMLURBCP-CVEARBPZSA-N 2 1 348.491 1.170 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000245569230 139079779 /nfs/dbraw/zinc/07/97/79/139079779.db2.gz VZRPGLAMLURBCP-CVEARBPZSA-N 2 1 348.491 1.170 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000245569230 139079780 /nfs/dbraw/zinc/07/97/80/139079780.db2.gz VZRPGLAMLURBCP-CVEARBPZSA-N 2 1 348.491 1.170 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000245569230 139079781 /nfs/dbraw/zinc/07/97/81/139079781.db2.gz VZRPGLAMLURBCP-CVEARBPZSA-N 2 1 348.491 1.170 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C[C@H]1CCCO1 ZINC000246139706 139096287 /nfs/dbraw/zinc/09/62/87/139096287.db2.gz QXQNJKZCYMFVSM-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@H]1CCCO1 ZINC000246139706 139096288 /nfs/dbraw/zinc/09/62/88/139096288.db2.gz QXQNJKZCYMFVSM-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@H]1CCCO1 ZINC000246139706 139096289 /nfs/dbraw/zinc/09/62/89/139096289.db2.gz QXQNJKZCYMFVSM-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@H]1CCCO1 ZINC000246139706 139096291 /nfs/dbraw/zinc/09/62/91/139096291.db2.gz QXQNJKZCYMFVSM-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246574793 139113518 /nfs/dbraw/zinc/11/35/18/139113518.db2.gz VFQNJMDEKMOWKD-CWRNSKLLSA-N 2 1 336.505 1.489 20 0 EDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000246915590 139126832 /nfs/dbraw/zinc/12/68/32/139126832.db2.gz GLTXDILLFCBSCW-ZIAGYGMSSA-N 2 1 325.478 1.587 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000246943114 139128016 /nfs/dbraw/zinc/12/80/16/139128016.db2.gz KDIPOUUPUZSGIN-IAGOWNOFSA-N 2 1 335.448 1.135 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)c2C1 ZINC000415314701 304192424 /nfs/dbraw/zinc/19/24/24/304192424.db2.gz KJHGFTSHRFAWFU-AWEZNQCLSA-N 2 1 330.432 1.219 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)c2C1 ZINC000415314701 304192427 /nfs/dbraw/zinc/19/24/27/304192427.db2.gz KJHGFTSHRFAWFU-AWEZNQCLSA-N 2 1 330.432 1.219 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000415334523 304196865 /nfs/dbraw/zinc/19/68/65/304196865.db2.gz SNIFSXQSHURELM-RHSMWYFYSA-N 2 1 344.459 1.335 20 0 EDADMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000248561315 139167410 /nfs/dbraw/zinc/16/74/10/139167410.db2.gz GCJYEYZKKKDAGN-BFYDXBDKSA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248561315 139167411 /nfs/dbraw/zinc/16/74/11/139167411.db2.gz GCJYEYZKKKDAGN-BFYDXBDKSA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261610841 139210710 /nfs/dbraw/zinc/21/07/10/139210710.db2.gz DRYPSHQZCASMIS-OAHLLOKOSA-N 2 1 346.475 1.535 20 0 EDADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261610841 139210711 /nfs/dbraw/zinc/21/07/11/139210711.db2.gz DRYPSHQZCASMIS-OAHLLOKOSA-N 2 1 346.475 1.535 20 0 EDADMP [NH3+][C@@H](C(=O)N1CC[NH+](CCc2cccs2)CC1)C1CCOCC1 ZINC000261642755 139213770 /nfs/dbraw/zinc/21/37/70/139213770.db2.gz DPZAHKCNEYULSF-MRXNPFEDSA-N 2 1 337.489 1.189 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@](C)(C[NH3+])C3)cc2F)CC1 ZINC000261711644 139219636 /nfs/dbraw/zinc/21/96/36/139219636.db2.gz BZHGNSHYVZEKPQ-LJQANCHMSA-N 2 1 348.466 1.779 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261764126 139224140 /nfs/dbraw/zinc/22/41/40/139224140.db2.gz LXUHTKNLFJPLQV-LZQZEXGQSA-N 2 1 345.487 1.910 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000261849798 139231333 /nfs/dbraw/zinc/23/13/33/139231333.db2.gz QGWDJVVXNKMDBF-GDBMZVCRSA-N 2 1 331.464 1.553 20 0 EDADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261894409 139234768 /nfs/dbraw/zinc/23/47/68/139234768.db2.gz GYXCLKFTGKBBDP-BARDWOONSA-N 2 1 335.414 1.617 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262005022 139243218 /nfs/dbraw/zinc/24/32/18/139243218.db2.gz ULOVLNGFAQJHPC-SJLPKXTDSA-N 2 1 347.507 1.853 20 0 EDADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C[C@@H](C)O1 ZINC000261984265 139241866 /nfs/dbraw/zinc/24/18/66/139241866.db2.gz RYOVRQTVXQRMSE-SFFUCWETSA-N 2 1 339.524 1.621 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000262085194 139249698 /nfs/dbraw/zinc/24/96/98/139249698.db2.gz UEZCBFJHNAWFQF-CYBMUJFWSA-N 2 1 347.385 1.265 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000262085194 139249699 /nfs/dbraw/zinc/24/96/99/139249699.db2.gz UEZCBFJHNAWFQF-CYBMUJFWSA-N 2 1 347.385 1.265 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(-c2ccccc2)n1 ZINC000262069732 139248347 /nfs/dbraw/zinc/24/83/47/139248347.db2.gz BZALGKXUONGOIW-GOSISDBHSA-N 2 1 325.460 1.567 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000262142381 139254632 /nfs/dbraw/zinc/25/46/32/139254632.db2.gz HGQLPODCNNXNBY-QAPCUYQASA-N 2 1 331.460 1.453 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415790645 251028461 /nfs/dbraw/zinc/02/84/61/251028461.db2.gz QVVQSINCOGDUKR-NSHDSACASA-N 2 1 326.828 1.194 20 0 EDADMP Cc1cccc(OCC[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000262210583 139260204 /nfs/dbraw/zinc/26/02/04/139260204.db2.gz LOQRMDCREOLGRG-IEBWSBKVSA-N 2 1 345.487 1.954 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)Nc2ncccc2C[NH3+])C[C@@H]1CC ZINC000416032518 251050557 /nfs/dbraw/zinc/05/05/57/251050557.db2.gz QJIIVQYGDBRJHU-HNNXBMFYSA-N 2 1 335.452 1.505 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416215203 251058610 /nfs/dbraw/zinc/05/86/10/251058610.db2.gz NGBOQOVPXHSOEU-FUHWJXTLSA-N 2 1 347.503 1.983 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000416830428 251112660 /nfs/dbraw/zinc/11/26/60/251112660.db2.gz GYRFGNYRZJZZLL-WBVHZDCISA-N 2 1 348.491 1.939 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417012945 251131427 /nfs/dbraw/zinc/13/14/27/251131427.db2.gz BESQZMXATGEAPF-CRAIPNDOSA-N 2 1 330.476 1.732 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000417088378 251140879 /nfs/dbraw/zinc/14/08/79/251140879.db2.gz KHPHVHFVWLBQMC-QGZVFWFLSA-N 2 1 330.476 1.827 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000417308474 251153647 /nfs/dbraw/zinc/15/36/47/251153647.db2.gz CRLSULCXALCEPP-HOTGVXAUSA-N 2 1 330.476 1.684 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C1CC1 ZINC000417430035 251169457 /nfs/dbraw/zinc/16/94/57/251169457.db2.gz OHCODOQEEQFLJA-UHFFFAOYSA-N 2 1 334.508 1.924 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)NCC[NH3+])CC2)cs1 ZINC000417596162 251201305 /nfs/dbraw/zinc/20/13/05/251201305.db2.gz KMJGTHRUCWXDDR-UHFFFAOYSA-N 2 1 325.482 1.175 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000417595210 251201649 /nfs/dbraw/zinc/20/16/49/251201649.db2.gz XRAORLDUTDTDKU-NVXWUHKLSA-N 2 1 334.464 1.185 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)c2C1 ZINC000415578913 304231067 /nfs/dbraw/zinc/23/10/67/304231067.db2.gz PPSKPJPNKIATNY-KGLIPLIRSA-N 2 1 344.459 1.546 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)c2C1 ZINC000415578913 304231070 /nfs/dbraw/zinc/23/10/70/304231070.db2.gz PPSKPJPNKIATNY-KGLIPLIRSA-N 2 1 344.459 1.546 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417813891 251280313 /nfs/dbraw/zinc/28/03/13/251280313.db2.gz AMTBHWDDTPBSHW-KANFNMMFSA-N 2 1 342.487 1.758 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]12 ZINC000418106149 251323052 /nfs/dbraw/zinc/32/30/52/251323052.db2.gz MQTCUSBPNLVASB-ZSYWTGECSA-N 2 1 342.487 1.887 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418108179 251325687 /nfs/dbraw/zinc/32/56/87/251325687.db2.gz AOJGHPVTSQPPIS-CVEARBPZSA-N 2 1 340.512 1.565 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000418148202 251343913 /nfs/dbraw/zinc/34/39/13/251343913.db2.gz REGIFVNRGOZTPI-SJLPKXTDSA-N 2 1 330.476 1.806 20 0 EDADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC(F)(F)C[NH3+])[NH+](C)C ZINC000418193349 251352805 /nfs/dbraw/zinc/35/28/05/251352805.db2.gz ZKJMPKRKJHPGGB-OCCSQVGLSA-N 2 1 328.407 1.879 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418384355 251363920 /nfs/dbraw/zinc/36/39/20/251363920.db2.gz KHAJMUANTGPOQD-RCCFBDPRSA-N 2 1 348.491 1.152 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418383345 251364164 /nfs/dbraw/zinc/36/41/64/251364164.db2.gz NMJPYMRBIUUBNW-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000262623567 139290921 /nfs/dbraw/zinc/29/09/21/139290921.db2.gz APKKEZMHHJGXEW-BRWVUGGUSA-N 2 1 330.476 1.441 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2)cs1 ZINC000262710168 139297964 /nfs/dbraw/zinc/29/79/64/139297964.db2.gz CKKBNUFNJHSGQM-WBMJQRKESA-N 2 1 336.505 1.778 20 0 EDADMP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329770 251675163 /nfs/dbraw/zinc/67/51/63/251675163.db2.gz OXUUSGXSVIPWIR-FUHWJXTLSA-N 2 1 345.487 1.687 20 0 EDADMP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420407943 251707044 /nfs/dbraw/zinc/70/70/44/251707044.db2.gz VAULHRQAIPYZEE-ZDUSSCGKSA-N 2 1 328.416 1.347 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C3CCC([NH3+])CC3)cc2)CC1 ZINC000422877357 252007616 /nfs/dbraw/zinc/00/76/16/252007616.db2.gz HVHXKHMDUOZARG-UHFFFAOYSA-N 3 1 330.476 1.434 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000423799903 252081746 /nfs/dbraw/zinc/08/17/46/252081746.db2.gz QVEZFKLQVVYAEO-IEBWSBKVSA-N 2 1 330.476 1.894 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424151482 252145699 /nfs/dbraw/zinc/14/56/99/252145699.db2.gz HPYIGZKZEWCNKB-CABCVRRESA-N 2 1 343.435 1.012 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424218199 252165845 /nfs/dbraw/zinc/16/58/45/252165845.db2.gz RIBNMDCTVOHANO-YESZJQIVSA-N 2 1 333.501 1.800 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424293624 252192023 /nfs/dbraw/zinc/19/20/23/252192023.db2.gz PHHXVONIWHKXBA-AWEZNQCLSA-N 2 1 345.443 1.876 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415707547 304260271 /nfs/dbraw/zinc/26/02/71/304260271.db2.gz WKHTVJHBMLJEPV-HUUCEWRRSA-N 2 1 346.475 1.581 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COCC(F)(F)F ZINC000337578878 285243648 /nfs/dbraw/zinc/24/36/48/285243648.db2.gz LSTLVGZWFXZGEO-CYBMUJFWSA-N 2 1 339.402 1.440 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(CC)COC1 ZINC000459059212 285244291 /nfs/dbraw/zinc/24/42/91/285244291.db2.gz FBHVHIGGUCCWSH-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000488746367 255052302 /nfs/dbraw/zinc/05/23/02/255052302.db2.gz FWPCRHNPOGYHBC-APWZRJJASA-N 2 1 345.487 1.601 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CC[NH+](CC4CCCC4)C3)C2)C1 ZINC000489373638 255067988 /nfs/dbraw/zinc/06/79/88/255067988.db2.gz SLCHTIKFPZQQHA-MJGOQNOKSA-N 2 1 334.508 1.988 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)C2)C1 ZINC000489373638 255067990 /nfs/dbraw/zinc/06/79/90/255067990.db2.gz SLCHTIKFPZQQHA-MJGOQNOKSA-N 2 1 334.508 1.988 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)C2)C1 ZINC000489373638 255067992 /nfs/dbraw/zinc/06/79/92/255067992.db2.gz SLCHTIKFPZQQHA-MJGOQNOKSA-N 2 1 334.508 1.988 20 0 EDADMP C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000493502393 255212551 /nfs/dbraw/zinc/21/25/51/255212551.db2.gz LOLAKDRCDURWQL-AZUAARDMSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000493502396 255212694 /nfs/dbraw/zinc/21/26/94/255212694.db2.gz LOLAKDRCDURWQL-UYAOXDASSA-N 2 1 345.487 1.472 20 0 EDADMP CC(C)[C@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[NH+]1CCCCC1 ZINC000494842499 255262759 /nfs/dbraw/zinc/26/27/59/255262759.db2.gz PTRHMHXRLWUVDN-GOSISDBHSA-N 2 1 340.556 1.839 20 0 EDADMP CC(C)[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)[NH+]1CCCCC1 ZINC000494842499 255262760 /nfs/dbraw/zinc/26/27/60/255262760.db2.gz PTRHMHXRLWUVDN-GOSISDBHSA-N 2 1 340.556 1.839 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415789189 304271526 /nfs/dbraw/zinc/27/15/26/304271526.db2.gz PIBUXOUZMHILDZ-GOEBONIOSA-N 2 1 346.475 1.711 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)CNC(=O)OC(C)(C)C ZINC000496341923 255383649 /nfs/dbraw/zinc/38/36/49/255383649.db2.gz IOFDVDWUKYMVRO-ZIAGYGMSSA-N 2 1 341.500 1.745 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000119097311 221242998 /nfs/dbraw/zinc/24/29/98/221242998.db2.gz NQOVFTYSCVDQQC-MAUKXSAKSA-N 2 1 342.487 1.969 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000119097311 221243000 /nfs/dbraw/zinc/24/30/00/221243000.db2.gz NQOVFTYSCVDQQC-MAUKXSAKSA-N 2 1 342.487 1.969 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000119097311 221243005 /nfs/dbraw/zinc/24/30/05/221243005.db2.gz NQOVFTYSCVDQQC-MAUKXSAKSA-N 2 1 342.487 1.969 20 0 EDADMP c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)nc1 ZINC000262052738 285481349 /nfs/dbraw/zinc/48/13/49/285481349.db2.gz ZVPZYOBPODESIY-RCCFBDPRSA-N 2 1 330.476 1.797 20 0 EDADMP COC(=O)CCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271243859 140262697 /nfs/dbraw/zinc/26/26/97/140262697.db2.gz BIKUDGVVVLBPGJ-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP COC(=O)CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271243859 140262699 /nfs/dbraw/zinc/26/26/99/140262699.db2.gz BIKUDGVVVLBPGJ-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP CC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000271706129 140337167 /nfs/dbraw/zinc/33/71/67/140337167.db2.gz NJWJQQZCKACKEO-QGZVFWFLSA-N 2 1 331.460 1.740 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N3CC[NH2+][C@@H](C)[C@H]3C)CC2)nc(C)[nH+]1 ZINC000332540384 141199232 /nfs/dbraw/zinc/19/92/32/141199232.db2.gz KRLROZVUJBJIEC-UONOGXRCSA-N 2 1 346.479 1.454 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@@H]1[NH+]1CCOCC1 ZINC000333318349 141298359 /nfs/dbraw/zinc/29/83/59/141298359.db2.gz MQADXPRFUJRADN-KDOFPFPSSA-N 2 1 344.459 1.864 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C[C@@H](C)O1 ZINC000333350086 141303731 /nfs/dbraw/zinc/30/37/31/141303731.db2.gz JJXOSOWXCCICCH-OWYFMNJBSA-N 2 1 338.496 1.253 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)n1C ZINC000333399223 141311546 /nfs/dbraw/zinc/31/15/46/141311546.db2.gz PRZMJXSIPUIWAG-GOEBONIOSA-N 2 1 348.495 1.550 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000333405722 141312891 /nfs/dbraw/zinc/31/28/91/141312891.db2.gz GCRLVXVZHJRXQX-LSDHHAIUSA-N 2 1 344.463 1.825 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000333422699 141315732 /nfs/dbraw/zinc/31/57/32/141315732.db2.gz ISRIDFXJCMDLDG-HNNXBMFYSA-N 2 1 344.463 1.779 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000333634348 141348089 /nfs/dbraw/zinc/34/80/89/141348089.db2.gz SYRAAIUMJGOAOW-DLBZAZTESA-N 2 1 338.496 1.272 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C(C)C)CC2)C1 ZINC000339564779 142078934 /nfs/dbraw/zinc/07/89/34/142078934.db2.gz ZTWGRHLZILMAIO-INIZCTEOSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000340059713 142251758 /nfs/dbraw/zinc/25/17/58/142251758.db2.gz LRONYAPBUKIPQY-UHFFFAOYSA-N 2 1 343.431 1.572 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000340259570 142322744 /nfs/dbraw/zinc/32/27/44/142322744.db2.gz AVDDBLZSWWNWKU-OAHLLOKOSA-N 2 1 349.479 1.079 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]CCCn2cc(CO)nn2)C[C@H]1c1ccccc1 ZINC000340400094 142377630 /nfs/dbraw/zinc/37/76/30/142377630.db2.gz JCTUTBQKEQFYBU-WMZOPIPTSA-N 2 1 329.448 1.586 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCCn2cc(CO)nn2)C[C@H]1c1ccccc1 ZINC000340400094 142377633 /nfs/dbraw/zinc/37/76/33/142377633.db2.gz JCTUTBQKEQFYBU-WMZOPIPTSA-N 2 1 329.448 1.586 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000345164317 143060006 /nfs/dbraw/zinc/06/00/06/143060006.db2.gz QWWVRJBXLIXYPA-INIZCTEOSA-N 2 1 328.501 1.328 20 0 EDADMP C[C@H]1[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCC[N@H+]1C ZINC000345319951 143077333 /nfs/dbraw/zinc/07/73/33/143077333.db2.gz MQRSBGDLQGOEES-QFBILLFUSA-N 2 1 344.503 1.647 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000345751578 143128972 /nfs/dbraw/zinc/12/89/72/143128972.db2.gz CRPLIASAKXJWGI-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC[C@H]([NH3+])C2)CC1 ZINC000346086992 143166128 /nfs/dbraw/zinc/16/61/28/143166128.db2.gz UZQUFBRFMGFKNR-IBGZPJMESA-N 2 1 344.503 1.452 20 0 EDADMP O[C@H](COc1ccccc1)C[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346863171 143252955 /nfs/dbraw/zinc/25/29/55/143252955.db2.gz XQIUVNFBVYFFKL-MSOLQXFVSA-N 2 1 333.476 1.044 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347117931 143284475 /nfs/dbraw/zinc/28/44/75/143284475.db2.gz XMPOOZJRMFTLGD-OAHLLOKOSA-N 2 1 345.422 1.298 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000347139965 143286781 /nfs/dbraw/zinc/28/67/81/143286781.db2.gz VRJRELYJJKBXHF-KRWDZBQOSA-N 2 1 341.459 1.218 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000347139965 143286782 /nfs/dbraw/zinc/28/67/82/143286782.db2.gz VRJRELYJJKBXHF-KRWDZBQOSA-N 2 1 341.459 1.218 20 0 EDADMP COC[C@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000347780283 143362258 /nfs/dbraw/zinc/36/22/58/143362258.db2.gz FYRLBPHTFHVBOR-APWZRJJASA-N 2 1 345.487 1.906 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cn1C ZINC000347792290 143363714 /nfs/dbraw/zinc/36/37/14/143363714.db2.gz WHRFFHTXLBMIMT-AWEZNQCLSA-N 2 1 337.464 1.336 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351476219 143569816 /nfs/dbraw/zinc/56/98/16/143569816.db2.gz KCCJCSLWEXNSFA-YTQUADARSA-N 2 1 345.487 1.802 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351476219 143569817 /nfs/dbraw/zinc/56/98/17/143569817.db2.gz KCCJCSLWEXNSFA-YTQUADARSA-N 2 1 345.487 1.802 20 0 EDADMP CC[NH+]1CCN(CCOCCN2CC[N@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000352657366 149103681 /nfs/dbraw/zinc/10/36/81/149103681.db2.gz ABDRTVABISPOOQ-QZTJIDSGSA-N 2 1 326.529 1.055 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCSCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000352666817 149109126 /nfs/dbraw/zinc/10/91/26/149109126.db2.gz XGOKLAONEKESIV-GJZGRUSLSA-N 2 1 328.526 1.455 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCSCC1)[N@H+]1CCC[C@H](C)C1 ZINC000352666817 149109129 /nfs/dbraw/zinc/10/91/29/149109129.db2.gz XGOKLAONEKESIV-GJZGRUSLSA-N 2 1 328.526 1.455 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000353060086 149270347 /nfs/dbraw/zinc/27/03/47/149270347.db2.gz IPEFLLZDJUDJPZ-MRXNPFEDSA-N 2 1 334.512 1.438 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000353060086 149270350 /nfs/dbraw/zinc/27/03/50/149270350.db2.gz IPEFLLZDJUDJPZ-MRXNPFEDSA-N 2 1 334.512 1.438 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[C@@H](C[NH2+]C)C1)[NH+]1CCOCC1 ZINC000416967174 304356783 /nfs/dbraw/zinc/35/67/83/304356783.db2.gz ZERJYOVBSCHFBW-RDJZCZTQSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCS(=O)(=O)N(C)C)CC2)C1 ZINC000353850281 149552870 /nfs/dbraw/zinc/55/28/70/149552870.db2.gz MOHPSZMHFYVVFO-ZBFHGGJFSA-N 2 1 331.526 1.511 20 0 EDADMP Cn1cncc1C[N@H+]1CCC2(C1)CC[NH+](Cc1cncn1C)CC2 ZINC000369948187 155248967 /nfs/dbraw/zinc/24/89/67/155248967.db2.gz KZVBRENLECEXIW-UHFFFAOYSA-N 2 1 328.464 1.642 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH+](C2CCOCC2)CC1 ZINC000355040293 150086829 /nfs/dbraw/zinc/08/68/29/150086829.db2.gz NSDKZGJMZMAJJO-IAGOWNOFSA-N 2 1 336.480 1.119 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000355071563 150102924 /nfs/dbraw/zinc/10/29/24/150102924.db2.gz FRNPTYVIRLDDKY-SJPCQFCGSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)cn2)CC1 ZINC000355224532 150172352 /nfs/dbraw/zinc/17/23/52/150172352.db2.gz QOZJHLYWRIGRCA-MSOLQXFVSA-N 2 1 345.491 1.477 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]([C@H]4CCOC4)C3)cn2)CC1 ZINC000355224532 150172357 /nfs/dbraw/zinc/17/23/57/150172357.db2.gz QOZJHLYWRIGRCA-MSOLQXFVSA-N 2 1 345.491 1.477 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417049324 304366807 /nfs/dbraw/zinc/36/68/07/304366807.db2.gz ZOWSQWRRKMXDTQ-DLBZAZTESA-N 2 1 345.491 1.200 20 0 EDADMP C[C@H](CCO)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370038956 155294434 /nfs/dbraw/zinc/29/44/34/155294434.db2.gz YYIBMWKFFPCRIS-OAHLLOKOSA-N 2 1 340.512 1.253 20 0 EDADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000357407680 151022835 /nfs/dbraw/zinc/02/28/35/151022835.db2.gz QKYONRCYRZPHOK-NVXWUHKLSA-N 2 1 325.497 1.865 20 0 EDADMP O=C1[C@@H]([N@H+]2CC[C@H](CN3CCOCC3)C2)CCCN1c1ccccc1 ZINC000357779471 151149088 /nfs/dbraw/zinc/14/90/88/151149088.db2.gz JXDDNXSLQSLKTQ-MJGOQNOKSA-N 2 1 343.471 1.836 20 0 EDADMP C[C@H](CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+](C)C ZINC000357866130 151177156 /nfs/dbraw/zinc/17/71/56/151177156.db2.gz IEIODQGVWQQYIU-OAGGEKHMSA-N 2 1 333.476 1.976 20 0 EDADMP C[C@H](CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+](C)C ZINC000357866130 151177158 /nfs/dbraw/zinc/17/71/58/151177158.db2.gz IEIODQGVWQQYIU-OAGGEKHMSA-N 2 1 333.476 1.976 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H](N(C)Cc3ncccn3)C2)CCC[N@H+]1C ZINC000357927493 151199731 /nfs/dbraw/zinc/19/97/31/151199731.db2.gz IZLVWHMURRLLAW-OAGGEKHMSA-N 2 1 346.479 1.175 20 0 EDADMP CSC1(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+](C)CC1 ZINC000357986078 151223070 /nfs/dbraw/zinc/22/30/70/151223070.db2.gz BUUWBUNKQVTHJF-AWEZNQCLSA-N 2 1 340.537 1.597 20 0 EDADMP C[N@H+](CCC(=O)NCC(=O)c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000358069921 151257842 /nfs/dbraw/zinc/25/78/42/151257842.db2.gz TYAOQGVCUOGXGO-MRXNPFEDSA-N 2 1 331.460 1.649 20 0 EDADMP C[N@@H+](CCC(=O)NCC(=O)c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000358069921 151257844 /nfs/dbraw/zinc/25/78/44/151257844.db2.gz TYAOQGVCUOGXGO-MRXNPFEDSA-N 2 1 331.460 1.649 20 0 EDADMP C[NH+](CCC(=O)NCC(=O)c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000358069921 151257846 /nfs/dbraw/zinc/25/78/46/151257846.db2.gz TYAOQGVCUOGXGO-MRXNPFEDSA-N 2 1 331.460 1.649 20 0 EDADMP C[NH+](CCC(=O)NCC(=O)c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000358069921 151257849 /nfs/dbraw/zinc/25/78/49/151257849.db2.gz TYAOQGVCUOGXGO-MRXNPFEDSA-N 2 1 331.460 1.649 20 0 EDADMP C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)C1=CC[N@@H+](C)CC1 ZINC000358107688 151273653 /nfs/dbraw/zinc/27/36/53/151273653.db2.gz ZKRJAGVHXJUYRO-BBRMVZONSA-N 2 1 326.510 1.373 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000358120018 151278590 /nfs/dbraw/zinc/27/85/90/151278590.db2.gz ZRAHZOJNGQSMNS-JKSUJKDBSA-N 2 1 340.512 1.023 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000358120018 151278591 /nfs/dbraw/zinc/27/85/91/151278591.db2.gz ZRAHZOJNGQSMNS-JKSUJKDBSA-N 2 1 340.512 1.023 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000358120018 151278594 /nfs/dbraw/zinc/27/85/94/151278594.db2.gz ZRAHZOJNGQSMNS-JKSUJKDBSA-N 2 1 340.512 1.023 20 0 EDADMP O=C(C1CCC1)N1CCN(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000358140951 151286000 /nfs/dbraw/zinc/28/60/00/151286000.db2.gz OLLJMEYTQOWDRF-MSOLQXFVSA-N 2 1 334.508 1.147 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000358145686 151287461 /nfs/dbraw/zinc/28/74/61/151287461.db2.gz WISZEUHKLLINLL-HNNXBMFYSA-N 2 1 326.485 1.221 20 0 EDADMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)NC(=O)Nc1ccccc1 ZINC000358495279 151394711 /nfs/dbraw/zinc/39/47/11/151394711.db2.gz HTTNYFKGTJVFMB-UHFFFAOYSA-N 2 1 330.432 1.800 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)NCCCC[NH3+])C[C@H](C)O1 ZINC000417115096 304374083 /nfs/dbraw/zinc/37/40/83/304374083.db2.gz OLERBFFJRMEELW-HOTGVXAUSA-N 2 1 348.491 1.834 20 0 EDADMP COC[C@@H](C)[C@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000360396479 152020404 /nfs/dbraw/zinc/02/04/04/152020404.db2.gz RMXOASYDRHVZBO-WXCOAYGQSA-N 2 1 337.508 1.674 20 0 EDADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000360957889 152263280 /nfs/dbraw/zinc/26/32/80/152263280.db2.gz RIAKRPPVZYYRFB-NVXWUHKLSA-N 2 1 325.497 1.772 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000361430162 152392748 /nfs/dbraw/zinc/39/27/48/152392748.db2.gz NJNTWYPLKFWRIW-RBUKOAKNSA-N 2 1 344.503 1.528 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000361430162 152392750 /nfs/dbraw/zinc/39/27/50/152392750.db2.gz NJNTWYPLKFWRIW-RBUKOAKNSA-N 2 1 344.503 1.528 20 0 EDADMP CC(C)(CCC[NH3+])NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417167932 304379971 /nfs/dbraw/zinc/37/99/71/304379971.db2.gz BVRCOBDMYQMHEW-UHFFFAOYSA-N 2 1 348.491 1.836 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000363664242 153023965 /nfs/dbraw/zinc/02/39/65/153023965.db2.gz XBGCSMZDSPJTFZ-QGZVFWFLSA-N 2 1 337.439 1.437 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000363664242 153023966 /nfs/dbraw/zinc/02/39/66/153023966.db2.gz XBGCSMZDSPJTFZ-QGZVFWFLSA-N 2 1 337.439 1.437 20 0 EDADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCCN1CCOCC1 ZINC000364168522 153161335 /nfs/dbraw/zinc/16/13/35/153161335.db2.gz QTXVDUBNDQNTDM-INIZCTEOSA-N 2 1 349.479 1.342 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000364249813 153186218 /nfs/dbraw/zinc/18/62/18/153186218.db2.gz MCHYVCOKMNIQBG-OWCLPIDISA-N 2 1 325.497 1.770 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000364249813 153186220 /nfs/dbraw/zinc/18/62/20/153186220.db2.gz MCHYVCOKMNIQBG-OWCLPIDISA-N 2 1 325.497 1.770 20 0 EDADMP CNC(=O)c1ccn([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000364598707 153283131 /nfs/dbraw/zinc/28/31/31/153283131.db2.gz JHZUQZTUKXPPKL-INIZCTEOSA-N 2 1 333.480 1.756 20 0 EDADMP CNC(=O)c1ccn([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000364598707 153283135 /nfs/dbraw/zinc/28/31/35/153283135.db2.gz JHZUQZTUKXPPKL-INIZCTEOSA-N 2 1 333.480 1.756 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCc3ccnn3C)CC2)CC1 ZINC000364655844 153296097 /nfs/dbraw/zinc/29/60/97/153296097.db2.gz MPFWDOKENLZTTA-UHFFFAOYSA-N 2 1 347.507 1.229 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000417232847 304386146 /nfs/dbraw/zinc/38/61/46/304386146.db2.gz QRAFHDYJJPOGEH-BZSNNMDCSA-N 2 1 330.476 1.887 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CN2CCCC[C@H]2CO1 ZINC000367096028 154008624 /nfs/dbraw/zinc/00/86/24/154008624.db2.gz GGZJQKHSKYPNGX-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000367096028 154008628 /nfs/dbraw/zinc/00/86/28/154008628.db2.gz GGZJQKHSKYPNGX-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367096028 154008629 /nfs/dbraw/zinc/00/86/29/154008629.db2.gz GGZJQKHSKYPNGX-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367096028 154008630 /nfs/dbraw/zinc/00/86/30/154008630.db2.gz GGZJQKHSKYPNGX-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000367373889 154093542 /nfs/dbraw/zinc/09/35/42/154093542.db2.gz DGBRMQFRGXGFJC-OKZBNKHCSA-N 2 1 349.450 1.436 20 0 EDADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000367373889 154093546 /nfs/dbraw/zinc/09/35/46/154093546.db2.gz DGBRMQFRGXGFJC-OKZBNKHCSA-N 2 1 349.450 1.436 20 0 EDADMP CC(=O)Nc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000367472381 154139173 /nfs/dbraw/zinc/13/91/73/154139173.db2.gz KCEGNHFRLDKRKO-IBGZPJMESA-N 2 1 330.476 1.857 20 0 EDADMP CC(=O)Nc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000367472381 154139175 /nfs/dbraw/zinc/13/91/75/154139175.db2.gz KCEGNHFRLDKRKO-IBGZPJMESA-N 2 1 330.476 1.857 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)[N@H+]1CCc2ccccc2C1 ZINC000417345876 304393178 /nfs/dbraw/zinc/39/31/78/304393178.db2.gz VAABKYNEXIMROV-WFASDCNBSA-N 2 1 340.418 1.715 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCN(C)[C@H](c3nccn3C)C2)CC1 ZINC000369498545 155060577 /nfs/dbraw/zinc/06/05/77/155060577.db2.gz BYMUFFSHPBSZMW-SFHVURJKSA-N 2 1 348.539 1.125 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000369658422 155122414 /nfs/dbraw/zinc/12/24/14/155122414.db2.gz DGBYYMUMSUJZQT-LAQRGFTBSA-N 2 1 332.492 1.596 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369658422 155122416 /nfs/dbraw/zinc/12/24/16/155122416.db2.gz DGBYYMUMSUJZQT-LAQRGFTBSA-N 2 1 332.492 1.596 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369658422 155122418 /nfs/dbraw/zinc/12/24/18/155122418.db2.gz DGBYYMUMSUJZQT-LAQRGFTBSA-N 2 1 332.492 1.596 20 0 EDADMP C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000371604460 156025402 /nfs/dbraw/zinc/02/54/02/156025402.db2.gz JACVSMPHTZQKIS-KRWDZBQOSA-N 2 1 345.491 1.687 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(CC(=O)NC(C)C)CC1 ZINC000372421136 156381862 /nfs/dbraw/zinc/38/18/62/156381862.db2.gz RXCLQYVKWZFFLW-UHFFFAOYSA-N 2 1 335.496 1.504 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(CC(=O)NC(C)C)CC1 ZINC000372421136 156381864 /nfs/dbraw/zinc/38/18/64/156381864.db2.gz RXCLQYVKWZFFLW-UHFFFAOYSA-N 2 1 335.496 1.504 20 0 EDADMP CCc1nc(CN2C[C@@H]3C[N@H+](CC[C@H]4CCC[NH+]4C)C[C@@H]3C2)no1 ZINC000372426458 156384949 /nfs/dbraw/zinc/38/49/49/156384949.db2.gz VXDILTBXZTUCNH-OWCLPIDISA-N 2 1 333.480 1.480 20 0 EDADMP CCc1nc(CN2C[C@@H]3C[NH+](CC[C@H]4CCC[N@@H+]4C)C[C@@H]3C2)no1 ZINC000372426458 156384953 /nfs/dbraw/zinc/38/49/53/156384953.db2.gz VXDILTBXZTUCNH-OWCLPIDISA-N 2 1 333.480 1.480 20 0 EDADMP CCc1nc(CN2C[C@@H]3C[NH+](CC[C@H]4CCC[N@H+]4C)C[C@@H]3C2)no1 ZINC000372426458 156384959 /nfs/dbraw/zinc/38/49/59/156384959.db2.gz VXDILTBXZTUCNH-OWCLPIDISA-N 2 1 333.480 1.480 20 0 EDADMP Cc1cc(N2CCC([N@@H+](C)CCN3CCO[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000374203575 157191632 /nfs/dbraw/zinc/19/16/32/157191632.db2.gz FACGSUZAXMPGOS-MRXNPFEDSA-N 2 1 347.507 1.715 20 0 EDADMP Cc1cc(N2CCC([N@H+](C)CCN3CCO[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000374203575 157191636 /nfs/dbraw/zinc/19/16/36/157191636.db2.gz FACGSUZAXMPGOS-MRXNPFEDSA-N 2 1 347.507 1.715 20 0 EDADMP CSC1(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000375057486 286649265 /nfs/dbraw/zinc/64/92/65/286649265.db2.gz ANKASARNUQSURE-UHFFFAOYSA-N 2 1 325.522 1.758 20 0 EDADMP COCC[C@@]1(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH2+]C1 ZINC000378211703 158111529 /nfs/dbraw/zinc/11/15/29/158111529.db2.gz RJSAHIFSOVDISZ-SFHVURJKSA-N 2 1 337.439 1.390 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-n2cncn2)cc1 ZINC000378371600 158154958 /nfs/dbraw/zinc/15/49/58/158154958.db2.gz PMELGPLHBDSILY-CEXWTWQISA-N 2 1 341.459 1.951 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000352277064 162088789 /nfs/dbraw/zinc/08/87/89/162088789.db2.gz ZPGKJCJYEOTKRY-INIZCTEOSA-N 2 1 339.505 1.651 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1OC ZINC000352534465 162237778 /nfs/dbraw/zinc/23/77/78/162237778.db2.gz GUNYPNFSYRRJJS-MRXNPFEDSA-N 2 1 349.475 1.913 20 0 EDADMP CCN1CC[NH+](CCC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000357054415 162281408 /nfs/dbraw/zinc/28/14/08/162281408.db2.gz RXFFXHJQQBAPRH-UHFFFAOYSA-N 2 1 326.529 1.591 20 0 EDADMP COC(=O)COc1c(C)cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000357054571 162281493 /nfs/dbraw/zinc/28/14/93/162281493.db2.gz QLDYBOKWUVEGJA-SJORKVTESA-N 2 1 332.444 1.897 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000364840417 162343857 /nfs/dbraw/zinc/34/38/57/162343857.db2.gz MOQGMPFRSHCORR-INIZCTEOSA-N 2 1 340.493 1.472 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000364840417 162343863 /nfs/dbraw/zinc/34/38/63/162343863.db2.gz MOQGMPFRSHCORR-INIZCTEOSA-N 2 1 340.493 1.472 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322748 287002801 /nfs/dbraw/zinc/00/28/01/287002801.db2.gz FGMIQALNZWHSOX-IXDOHACOSA-N 2 1 337.508 1.853 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000078512034 287294438 /nfs/dbraw/zinc/29/44/38/287294438.db2.gz FKEANKNKIZYQDM-OKILXGFUSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000078512034 287294440 /nfs/dbraw/zinc/29/44/40/287294440.db2.gz FKEANKNKIZYQDM-OKILXGFUSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458340626 287390550 /nfs/dbraw/zinc/39/05/50/287390550.db2.gz JXBMHEZRNFZUIG-ZACQAIPSSA-N 2 1 340.512 1.395 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CSC[NH2+]1 ZINC000166208366 226151446 /nfs/dbraw/zinc/15/14/46/226151446.db2.gz LUGHUGPASAQTRL-OCCSQVGLSA-N 2 1 325.503 1.739 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CSC[NH2+]1 ZINC000166208366 226151450 /nfs/dbraw/zinc/15/14/50/226151450.db2.gz LUGHUGPASAQTRL-OCCSQVGLSA-N 2 1 325.503 1.739 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654423057 452477384 /nfs/dbraw/zinc/47/73/84/452477384.db2.gz ZRJZTRDPHTVDMF-FPCVCCKLSA-N 2 1 328.501 1.514 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654423057 452477396 /nfs/dbraw/zinc/47/73/96/452477396.db2.gz ZRJZTRDPHTVDMF-FPCVCCKLSA-N 2 1 328.501 1.514 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654423057 452477403 /nfs/dbraw/zinc/47/74/03/452477403.db2.gz ZRJZTRDPHTVDMF-FPCVCCKLSA-N 2 1 328.501 1.514 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654423057 452477410 /nfs/dbraw/zinc/47/74/10/452477410.db2.gz ZRJZTRDPHTVDMF-FPCVCCKLSA-N 2 1 328.501 1.514 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000237254387 273008581 /nfs/dbraw/zinc/00/85/81/273008581.db2.gz UUEHDMWYJIYUIM-SFHVURJKSA-N 2 1 344.503 1.506 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261749310 273017285 /nfs/dbraw/zinc/01/72/85/273017285.db2.gz LAUGCEXQPVODNL-HKUYNNGSSA-N 2 1 345.487 1.721 20 0 EDADMP CCCC[N@@H+](CCCO)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000274671067 268180323 /nfs/dbraw/zinc/18/03/23/268180323.db2.gz SLFUKRBRKXBEFW-SFHVURJKSA-N 2 1 335.492 1.890 20 0 EDADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000275816063 273130526 /nfs/dbraw/zinc/13/05/26/273130526.db2.gz FVAOGZSPKAQRSV-RBUKOAKNSA-N 2 1 343.475 1.764 20 0 EDADMP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)C1=CC[NH+](C)CC1 ZINC000276135479 273151418 /nfs/dbraw/zinc/15/14/18/273151418.db2.gz QEOGOXWRZJZZRZ-ZDUSSCGKSA-N 2 1 342.443 1.337 20 0 EDADMP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)C1=CC[NH+](C)CC1 ZINC000276135479 273151420 /nfs/dbraw/zinc/15/14/20/273151420.db2.gz QEOGOXWRZJZZRZ-ZDUSSCGKSA-N 2 1 342.443 1.337 20 0 EDADMP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2)C1=CC[N@H+](C)CC1 ZINC000276135479 273151421 /nfs/dbraw/zinc/15/14/21/273151421.db2.gz QEOGOXWRZJZZRZ-ZDUSSCGKSA-N 2 1 342.443 1.337 20 0 EDADMP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2)C1=CC[N@@H+](C)CC1 ZINC000276135479 273151423 /nfs/dbraw/zinc/15/14/23/273151423.db2.gz QEOGOXWRZJZZRZ-ZDUSSCGKSA-N 2 1 342.443 1.337 20 0 EDADMP C[NH+]1CCN(Cc2cccc(C(=O)NCC[N@@H+]3CC=CCC3)c2)CC1 ZINC000279764820 273325037 /nfs/dbraw/zinc/32/50/37/273325037.db2.gz AWKDNMONNQZWNW-UHFFFAOYSA-N 2 1 342.487 1.426 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000280953304 273419234 /nfs/dbraw/zinc/41/92/34/273419234.db2.gz XRPHRAKDJGMCIS-ACJLOTCBSA-N 2 1 330.432 1.515 20 0 EDADMP CCC[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000305720834 276038485 /nfs/dbraw/zinc/03/84/85/276038485.db2.gz PDNZQHWFFNTXDD-RCCFBDPRSA-N 2 1 333.476 1.468 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000355588556 276103764 /nfs/dbraw/zinc/10/37/64/276103764.db2.gz BWSANGTYBOIXLW-MJGOQNOKSA-N 2 1 346.519 1.822 20 0 EDADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371304749 276206019 /nfs/dbraw/zinc/20/60/19/276206019.db2.gz KIFXZUNLKXLWSF-NVXWUHKLSA-N 2 1 338.540 1.780 20 0 EDADMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371304749 276206022 /nfs/dbraw/zinc/20/60/22/276206022.db2.gz KIFXZUNLKXLWSF-NVXWUHKLSA-N 2 1 338.540 1.780 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)no1 ZINC000359401131 276770786 /nfs/dbraw/zinc/77/07/86/276770786.db2.gz GIAOFEWPVGPBFF-DAXOMENPSA-N 2 1 336.436 1.060 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000370595371 277089213 /nfs/dbraw/zinc/08/92/13/277089213.db2.gz ZXOBQJNCGNDKGA-PKOBYXMFSA-N 2 1 331.460 1.518 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000245706279 277110840 /nfs/dbraw/zinc/11/08/40/277110840.db2.gz YPLMZVPTUWYLCS-WOJBJXKFSA-N 2 1 331.504 1.996 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000245706279 277110841 /nfs/dbraw/zinc/11/08/41/277110841.db2.gz YPLMZVPTUWYLCS-WOJBJXKFSA-N 2 1 331.504 1.996 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000367886005 277204946 /nfs/dbraw/zinc/20/49/46/277204946.db2.gz NARRZOYHVPWZAO-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000417848953 277229920 /nfs/dbraw/zinc/22/99/20/277229920.db2.gz WAIYCJIXQLAIIE-WMZOPIPTSA-N 2 1 348.491 1.575 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000262940098 277279109 /nfs/dbraw/zinc/27/91/09/277279109.db2.gz UKADVRMNMZQHNT-CRAIPNDOSA-N 2 1 333.476 1.899 20 0 EDADMP COC(=O)c1csc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000286275044 287972146 /nfs/dbraw/zinc/97/21/46/287972146.db2.gz VNHFOPVYOSNZBF-CHWSQXEVSA-N 2 1 325.478 1.821 20 0 EDADMP CC(C)[NH2+]CCN1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000367601892 277663158 /nfs/dbraw/zinc/66/31/58/277663158.db2.gz QFCKJPSCZVRDHG-MRXNPFEDSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](C(=O)NCC1([NH+](C)C)CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000356418210 278207017 /nfs/dbraw/zinc/20/70/17/278207017.db2.gz ASDOOBRPNAWGDB-INIZCTEOSA-N 2 1 345.487 1.660 20 0 EDADMP C[C@@H](C(=O)NCC1([NH+](C)C)CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000356418210 278207019 /nfs/dbraw/zinc/20/70/19/278207019.db2.gz ASDOOBRPNAWGDB-INIZCTEOSA-N 2 1 345.487 1.660 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC[S@@](=O)c2ccccc2)CC1 ZINC000357652267 278395180 /nfs/dbraw/zinc/39/51/80/278395180.db2.gz VBCZOOPJOUANDW-WAIKUNEKSA-N 2 1 338.517 1.819 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000186819971 278399196 /nfs/dbraw/zinc/39/91/96/278399196.db2.gz LDFRBEZEMPRKSC-MJGOQNOKSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000186819971 278399198 /nfs/dbraw/zinc/39/91/98/278399198.db2.gz LDFRBEZEMPRKSC-MJGOQNOKSA-N 2 1 345.487 1.424 20 0 EDADMP Cn1cc(CC[N@@H+](C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)cn1 ZINC000286722034 288070081 /nfs/dbraw/zinc/07/00/81/288070081.db2.gz JORXGAVAKXUPKQ-FUHWJXTLSA-N 2 1 330.480 1.711 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000236915179 278735495 /nfs/dbraw/zinc/73/54/95/278735495.db2.gz XIAAZMAJCUZBNL-QZTJIDSGSA-N 2 1 332.492 1.609 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000337509935 278868496 /nfs/dbraw/zinc/86/84/96/278868496.db2.gz UGEYVWWFRFFRBY-UHFFFAOYSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000424158532 288123067 /nfs/dbraw/zinc/12/30/67/288123067.db2.gz TUFDZAHUGWNMOE-WWGRRREGSA-N 2 1 331.464 1.100 20 0 EDADMP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000363585316 279362356 /nfs/dbraw/zinc/36/23/56/279362356.db2.gz IQLHUHGEMQGFAM-KZNAEPCWSA-N 2 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363585316 279362357 /nfs/dbraw/zinc/36/23/57/279362357.db2.gz IQLHUHGEMQGFAM-KZNAEPCWSA-N 2 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000363585316 279362358 /nfs/dbraw/zinc/36/23/58/279362358.db2.gz IQLHUHGEMQGFAM-KZNAEPCWSA-N 2 1 336.524 1.251 20 0 EDADMP Cc1c(C[NH2+]C[C@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)cnn1C ZINC000354930227 280227062 /nfs/dbraw/zinc/22/70/62/280227062.db2.gz XDMZKFCLEMZDSW-LSDHHAIUSA-N 2 1 347.442 1.291 20 0 EDADMP Cc1ccncc1C[NH2+]C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354935190 281486307 /nfs/dbraw/zinc/48/63/07/281486307.db2.gz OYAAILDOJCUSHW-CVEARBPZSA-N 2 1 344.438 1.953 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2C)C1 ZINC000287965284 288369264 /nfs/dbraw/zinc/36/92/64/288369264.db2.gz IYSAXBMPAMDNDC-MRXNPFEDSA-N 2 1 349.479 1.031 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000363356922 282059501 /nfs/dbraw/zinc/05/95/01/282059501.db2.gz VLNIMBWTOBGBNA-WMLDXEAASA-N 2 1 344.459 2.000 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)cc1 ZINC000363356922 282059502 /nfs/dbraw/zinc/05/95/02/282059502.db2.gz VLNIMBWTOBGBNA-WMLDXEAASA-N 2 1 344.459 2.000 20 0 EDADMP C[NH+](C)CC1(NC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)CCC1 ZINC000367173723 282076112 /nfs/dbraw/zinc/07/61/12/282076112.db2.gz NFYHTNXHPMYQBH-UHFFFAOYSA-N 2 1 333.480 1.325 20 0 EDADMP C[NH+](C)CC1(NC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)CCC1 ZINC000367173723 282076114 /nfs/dbraw/zinc/07/61/14/282076114.db2.gz NFYHTNXHPMYQBH-UHFFFAOYSA-N 2 1 333.480 1.325 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000357613792 289045508 /nfs/dbraw/zinc/04/55/08/289045508.db2.gz YIOMJYNIXKROFU-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000357613792 289045509 /nfs/dbraw/zinc/04/55/09/289045509.db2.gz YIOMJYNIXKROFU-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP NC(=O)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291507772 289089581 /nfs/dbraw/zinc/08/95/81/289089581.db2.gz WSQDTJAEPBTTGC-UHFFFAOYSA-N 2 1 330.432 1.169 20 0 EDADMP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292189184 289284582 /nfs/dbraw/zinc/28/45/82/289284582.db2.gz REJBMJGISCEHDL-LPHOPBHVSA-N 2 1 334.460 1.853 20 0 EDADMP CCOc1ccc(OC[C@@H](O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292189184 289284583 /nfs/dbraw/zinc/28/45/83/289284583.db2.gz REJBMJGISCEHDL-LPHOPBHVSA-N 2 1 334.460 1.853 20 0 EDADMP CCOc1ccc(OC[C@@H](O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292189184 289284584 /nfs/dbraw/zinc/28/45/84/289284584.db2.gz REJBMJGISCEHDL-LPHOPBHVSA-N 2 1 334.460 1.853 20 0 EDADMP CCOc1ccc(OC[C@@H](O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292189184 289284585 /nfs/dbraw/zinc/28/45/85/289284585.db2.gz REJBMJGISCEHDL-LPHOPBHVSA-N 2 1 334.460 1.853 20 0 EDADMP C[C@H](C(=O)NCCCC[NH+]1CCC[C@H]1CO)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000305695027 289351885 /nfs/dbraw/zinc/35/18/85/289351885.db2.gz DCIDHIZGGZVZNI-TWMKSMIVSA-N 2 1 325.497 1.601 20 0 EDADMP C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)[NH+]1[C@H](C)CC[C@@H]1C ZINC000305695027 289351886 /nfs/dbraw/zinc/35/18/86/289351886.db2.gz DCIDHIZGGZVZNI-TWMKSMIVSA-N 2 1 325.497 1.601 20 0 EDADMP C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)[NH+]1[C@H](C)CC[C@@H]1C ZINC000305695027 289351888 /nfs/dbraw/zinc/35/18/88/289351888.db2.gz DCIDHIZGGZVZNI-TWMKSMIVSA-N 2 1 325.497 1.601 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000262079667 295226420 /nfs/dbraw/zinc/22/64/20/295226420.db2.gz SYMRWTVEHCWGCX-GOSISDBHSA-N 2 1 341.459 1.692 20 0 EDADMP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000261789069 295271986 /nfs/dbraw/zinc/27/19/86/295271986.db2.gz PYZRXWOEOFNDOO-QZTJIDSGSA-N 2 1 331.460 1.510 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000331367030 295392661 /nfs/dbraw/zinc/39/26/61/295392661.db2.gz DMOQDQWREFVSSR-DZKIICNBSA-N 2 1 332.448 1.621 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418632087 304521920 /nfs/dbraw/zinc/52/19/20/304521920.db2.gz YUOHAGVMZKCUMG-MRXNPFEDSA-N 2 1 340.512 1.504 20 0 EDADMP C[C@@H]1C[C@H](C[N@H+]2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000496459130 297399988 /nfs/dbraw/zinc/39/99/88/297399988.db2.gz PCGAAAZOJCIREY-OAGGEKHMSA-N 2 1 341.496 1.990 20 0 EDADMP C[C@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)C[NH+]1CCOCC1 ZINC000333532061 298700751 /nfs/dbraw/zinc/70/07/51/298700751.db2.gz ICFCVMNYBKDDGS-MRXNPFEDSA-N 2 1 338.496 1.130 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CCO1 ZINC000662430643 453139607 /nfs/dbraw/zinc/13/96/07/453139607.db2.gz AGGPYBZRMXKFOF-XDTLVQLUSA-N 2 1 342.237 1.024 20 0 EDADMP CCOC(=O)CN(C(=O)C[NH+]1CCC(C[NH2+]C)CC1)c1ccccc1 ZINC000420297210 304745045 /nfs/dbraw/zinc/74/50/45/304745045.db2.gz RDJVIOVQPPDEDY-UHFFFAOYSA-N 2 1 347.459 1.514 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420363592 304752057 /nfs/dbraw/zinc/75/20/57/304752057.db2.gz OCBNIKVUCBQUTP-CQSZACIVSA-N 2 1 334.420 1.321 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000458355546 447320938 /nfs/dbraw/zinc/32/09/38/447320938.db2.gz CWFUMDFUGNKKAH-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3ccc(S(C)(=O)=O)cc3CC2)CC[NH2+]1 ZINC000414766064 447324604 /nfs/dbraw/zinc/32/46/04/447324604.db2.gz QSQKALSDJKKFDC-CABCVRRESA-N 2 1 336.501 1.879 20 0 EDADMP C[C@@H]1C[C@H](C[N@H+]2CCc3ccc(S(C)(=O)=O)cc3CC2)CC[NH2+]1 ZINC000414766066 447324696 /nfs/dbraw/zinc/32/46/96/447324696.db2.gz QSQKALSDJKKFDC-HUUCEWRRSA-N 2 1 336.501 1.879 20 0 EDADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000295006975 303162052 /nfs/dbraw/zinc/16/20/52/303162052.db2.gz IOEYQNSUCAXQCQ-MJGOQNOKSA-N 2 1 344.503 1.623 20 0 EDADMP CCN(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000295399226 303214401 /nfs/dbraw/zinc/21/44/01/303214401.db2.gz IIHVQBBIFNNRDU-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+](CCCO)C1)c1ccccc1 ZINC000295399226 303214403 /nfs/dbraw/zinc/21/44/03/303214403.db2.gz IIHVQBBIFNNRDU-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+](CCCO)C1)c1ccccc1 ZINC000295399226 303214404 /nfs/dbraw/zinc/21/44/04/303214404.db2.gz IIHVQBBIFNNRDU-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000295399226 303214406 /nfs/dbraw/zinc/21/44/06/303214406.db2.gz IIHVQBBIFNNRDU-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000295598919 303240251 /nfs/dbraw/zinc/24/02/51/303240251.db2.gz WYSUASVDGMRTFM-LJQANCHMSA-N 2 1 345.487 1.859 20 0 EDADMP CN(C)c1cc[nH+]c(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1 ZINC000301734923 303692272 /nfs/dbraw/zinc/69/22/72/303692272.db2.gz AUGSVFJFGIQNLI-UHFFFAOYSA-N 2 1 348.495 1.581 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])s1 ZINC000422999557 304882805 /nfs/dbraw/zinc/88/28/05/304882805.db2.gz SQWXVANHPGJWPB-OLZOCXBDSA-N 2 1 331.507 1.584 20 0 EDADMP O=S(=O)(NCC[NH2+]C1CC[NH2+]CC1)c1ccc(Cl)cc1F ZINC000423110334 304886701 /nfs/dbraw/zinc/88/67/01/304886701.db2.gz VQFORJSWWMUYPP-UHFFFAOYSA-N 2 1 335.832 1.099 20 0 EDADMP COC[C@]1(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[NH2+]C1 ZINC000423338961 304893344 /nfs/dbraw/zinc/89/33/44/304893344.db2.gz BDOPAXMDSDIFGZ-IBGZPJMESA-N 2 1 347.459 1.126 20 0 EDADMP COC[C@]1(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC[NH2+]C1 ZINC000423374757 304893637 /nfs/dbraw/zinc/89/36/37/304893637.db2.gz IJMDKHYXDKHHLT-BEFAXECRSA-N 2 1 347.459 1.644 20 0 EDADMP CC(C)CN(C(=O)CCCN1CCC([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000423767609 304909359 /nfs/dbraw/zinc/90/93/59/304909359.db2.gz WHQRAZLOOOISSS-UHFFFAOYSA-N 2 1 338.540 1.769 20 0 EDADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430607364 305058479 /nfs/dbraw/zinc/05/84/79/305058479.db2.gz BZXNSSVVZNTOQS-CABCVRRESA-N 2 1 342.447 1.115 20 0 EDADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430607364 305058480 /nfs/dbraw/zinc/05/84/80/305058480.db2.gz BZXNSSVVZNTOQS-CABCVRRESA-N 2 1 342.447 1.115 20 0 EDADMP C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430607367 305058499 /nfs/dbraw/zinc/05/84/99/305058499.db2.gz BZXNSSVVZNTOQS-GJZGRUSLSA-N 2 1 342.447 1.115 20 0 EDADMP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430607367 305058500 /nfs/dbraw/zinc/05/85/00/305058500.db2.gz BZXNSSVVZNTOQS-GJZGRUSLSA-N 2 1 342.447 1.115 20 0 EDADMP Cc1cc(C)n(-c2ccc(C[N@H+](C)CC(=O)N3CC[NH2+]CC3)cc2)n1 ZINC000430611257 305058748 /nfs/dbraw/zinc/05/87/48/305058748.db2.gz NYWVJQOODZLMNF-UHFFFAOYSA-N 2 1 341.459 1.353 20 0 EDADMP Cc1cc(C)n(-c2ccc(C[N@@H+](C)CC(=O)N3CC[NH2+]CC3)cc2)n1 ZINC000430611257 305058749 /nfs/dbraw/zinc/05/87/49/305058749.db2.gz NYWVJQOODZLMNF-UHFFFAOYSA-N 2 1 341.459 1.353 20 0 EDADMP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)o2)cc1 ZINC000430628859 305060175 /nfs/dbraw/zinc/06/01/75/305060175.db2.gz VSARKSNZBFBNSH-MRXNPFEDSA-N 2 1 342.443 1.937 20 0 EDADMP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430643484 305061054 /nfs/dbraw/zinc/06/10/54/305061054.db2.gz RLARLECKUFSIHU-CABCVRRESA-N 2 1 332.448 1.109 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)COC1C[NH2+]C1 ZINC000430754339 305064235 /nfs/dbraw/zinc/06/42/35/305064235.db2.gz DOERGOOAQCDLGK-OAHLLOKOSA-N 2 1 331.460 1.666 20 0 EDADMP Cc1cc(NC(=O)c2csc(C[NH3+])n2)n(C2CC[NH+](C)CC2)n1 ZINC000430818817 305065342 /nfs/dbraw/zinc/06/53/42/305065342.db2.gz FBIVLFAIVKIVQZ-UHFFFAOYSA-N 2 1 334.449 1.626 20 0 EDADMP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430941001 305069642 /nfs/dbraw/zinc/06/96/42/305069642.db2.gz SWIMRVLKAIMTLY-JKIFEVAISA-N 2 1 328.460 1.884 20 0 EDADMP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430941001 305069643 /nfs/dbraw/zinc/06/96/43/305069643.db2.gz SWIMRVLKAIMTLY-JKIFEVAISA-N 2 1 328.460 1.884 20 0 EDADMP [NH3+]CC1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCCC1 ZINC000431012391 305072756 /nfs/dbraw/zinc/07/27/56/305072756.db2.gz BBNUMRRLMUWVMN-UHFFFAOYSA-N 2 1 348.466 1.583 20 0 EDADMP CC(C)[C@@H](C[NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000433176184 305102387 /nfs/dbraw/zinc/10/23/87/305102387.db2.gz RQJMSAWCRAIYNU-SJLPKXTDSA-N 2 1 332.492 1.544 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OCC(=O)N1CCCC1 ZINC000435375419 305139308 /nfs/dbraw/zinc/13/93/08/305139308.db2.gz UYCSGOZLNRLYKM-HZPDHXFCSA-N 2 1 331.460 1.857 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000435393063 305139660 /nfs/dbraw/zinc/13/96/60/305139660.db2.gz YPGMFKTVFOBNHN-ARFHVFGLSA-N 2 1 347.459 1.379 20 0 EDADMP NC(=O)NC(=O)CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692787 305145564 /nfs/dbraw/zinc/14/55/64/305145564.db2.gz KEDHZDUFJXRSLW-CYBMUJFWSA-N 2 1 336.461 1.277 20 0 EDADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436052498 305151314 /nfs/dbraw/zinc/15/13/14/305151314.db2.gz LXHJRLWTJHCLJB-OWCLPIDISA-N 2 1 338.496 1.095 20 0 EDADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436052498 305151315 /nfs/dbraw/zinc/15/13/15/305151315.db2.gz LXHJRLWTJHCLJB-OWCLPIDISA-N 2 1 338.496 1.095 20 0 EDADMP CC1=CC[NH+](CCNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000436383930 305156461 /nfs/dbraw/zinc/15/64/61/305156461.db2.gz DXARZKYTUNEOTR-MRXNPFEDSA-N 2 1 338.496 1.125 20 0 EDADMP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000436383930 305156462 /nfs/dbraw/zinc/15/64/62/305156462.db2.gz DXARZKYTUNEOTR-MRXNPFEDSA-N 2 1 338.496 1.125 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000436383930 305156463 /nfs/dbraw/zinc/15/64/63/305156463.db2.gz DXARZKYTUNEOTR-MRXNPFEDSA-N 2 1 338.496 1.125 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000440980995 305215673 /nfs/dbraw/zinc/21/56/73/305215673.db2.gz NMFAUSNBWAHYNZ-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN(C)CC[C@@H]2CCCC[N@H+]2C)C[C@@H](C)O1 ZINC000441330603 305220888 /nfs/dbraw/zinc/22/08/88/305220888.db2.gz LXYZLCASLHAIDP-ZJPYXAASSA-N 2 1 327.513 1.263 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@@H+]1C ZINC000442133102 305225762 /nfs/dbraw/zinc/22/57/62/305225762.db2.gz IQMIVDAOTLUNQQ-MLGOLLRUSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@H+]1C ZINC000442133102 305225763 /nfs/dbraw/zinc/22/57/63/305225763.db2.gz IQMIVDAOTLUNQQ-MLGOLLRUSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[NH+]1C ZINC000442133102 305225764 /nfs/dbraw/zinc/22/57/64/305225764.db2.gz IQMIVDAOTLUNQQ-MLGOLLRUSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[NH+]1C ZINC000442133102 305225765 /nfs/dbraw/zinc/22/57/65/305225765.db2.gz IQMIVDAOTLUNQQ-MLGOLLRUSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000442260411 305227311 /nfs/dbraw/zinc/22/73/11/305227311.db2.gz DFRRVLAEYWEKGW-GJZGRUSLSA-N 2 1 346.475 1.280 20 0 EDADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000442260411 305227312 /nfs/dbraw/zinc/22/73/12/305227312.db2.gz DFRRVLAEYWEKGW-GJZGRUSLSA-N 2 1 346.475 1.280 20 0 EDADMP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000442303361 305228482 /nfs/dbraw/zinc/22/84/82/305228482.db2.gz WZOZXACOXZEMDI-ZIAGYGMSSA-N 2 1 332.448 1.238 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000442303361 305228483 /nfs/dbraw/zinc/22/84/83/305228483.db2.gz WZOZXACOXZEMDI-ZIAGYGMSSA-N 2 1 332.448 1.238 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442759108 305229642 /nfs/dbraw/zinc/22/96/42/305229642.db2.gz QECYJNGQTMDXBM-HZPDHXFCSA-N 2 1 333.476 1.899 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442759108 305229643 /nfs/dbraw/zinc/22/96/43/305229643.db2.gz QECYJNGQTMDXBM-HZPDHXFCSA-N 2 1 333.476 1.899 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442759104 305229648 /nfs/dbraw/zinc/22/96/48/305229648.db2.gz QECYJNGQTMDXBM-CVEARBPZSA-N 2 1 333.476 1.899 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442759104 305229649 /nfs/dbraw/zinc/22/96/49/305229649.db2.gz QECYJNGQTMDXBM-CVEARBPZSA-N 2 1 333.476 1.899 20 0 EDADMP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443074270 305234578 /nfs/dbraw/zinc/23/45/78/305234578.db2.gz QBUQANQBDKYTRE-KRWDZBQOSA-N 2 1 333.476 1.975 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000443673572 305240870 /nfs/dbraw/zinc/24/08/70/305240870.db2.gz ICZGFIOVQBVYLT-BRWVUGGUSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000444551941 305250476 /nfs/dbraw/zinc/25/04/76/305250476.db2.gz NJZQDGTVCFVSSO-NVXWUHKLSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000444551941 305250477 /nfs/dbraw/zinc/25/04/77/305250477.db2.gz NJZQDGTVCFVSSO-NVXWUHKLSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000444551941 305250478 /nfs/dbraw/zinc/25/04/78/305250478.db2.gz NJZQDGTVCFVSSO-NVXWUHKLSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000444551941 305250479 /nfs/dbraw/zinc/25/04/79/305250479.db2.gz NJZQDGTVCFVSSO-NVXWUHKLSA-N 2 1 337.508 1.697 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1CCCOCC1)Cc1ccccc1 ZINC000446572162 305267070 /nfs/dbraw/zinc/26/70/70/305267070.db2.gz MSWHGSNLUCMBNI-GOSISDBHSA-N 2 1 348.491 1.181 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446617821 305268174 /nfs/dbraw/zinc/26/81/74/305268174.db2.gz PPCCWGFLXYHWNL-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446617821 305268175 /nfs/dbraw/zinc/26/81/75/305268175.db2.gz PPCCWGFLXYHWNL-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000446890605 305271564 /nfs/dbraw/zinc/27/15/64/305271564.db2.gz MYHPDABDEWKEMM-QZTJIDSGSA-N 2 1 345.447 1.074 20 0 EDADMP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000446890605 305271565 /nfs/dbraw/zinc/27/15/65/305271565.db2.gz MYHPDABDEWKEMM-QZTJIDSGSA-N 2 1 345.447 1.074 20 0 EDADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@@H](O)C[NH+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000447264437 305276494 /nfs/dbraw/zinc/27/64/94/305276494.db2.gz BIMIWKHFCSYFPA-JSALWVARSA-N 2 1 342.524 1.310 20 0 EDADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[NH+]1C[C@@H](O)C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000447264437 305276495 /nfs/dbraw/zinc/27/64/95/305276495.db2.gz BIMIWKHFCSYFPA-JSALWVARSA-N 2 1 342.524 1.310 20 0 EDADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[NH+]1C[C@@H](O)C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000447264437 305276496 /nfs/dbraw/zinc/27/64/96/305276496.db2.gz BIMIWKHFCSYFPA-JSALWVARSA-N 2 1 342.524 1.310 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000448253065 305294535 /nfs/dbraw/zinc/29/45/35/305294535.db2.gz VIJHWMYNYHZRJA-JKSUJKDBSA-N 2 1 340.512 1.253 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000449101618 305306616 /nfs/dbraw/zinc/30/66/16/305306616.db2.gz FZULPKNRAGTMKA-CYBMUJFWSA-N 2 1 339.402 1.488 20 0 EDADMP CNS(=O)(=O)CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449272922 305310555 /nfs/dbraw/zinc/31/05/55/305310555.db2.gz XHCMCTDSGMCMEW-HNNXBMFYSA-N 2 1 339.505 1.221 20 0 EDADMP CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451524789 305350918 /nfs/dbraw/zinc/35/09/18/305350918.db2.gz DLHQBQRFZSKJOW-ZWKOTPCHSA-N 2 1 325.497 1.414 20 0 EDADMP CCC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451524789 305350919 /nfs/dbraw/zinc/35/09/19/305350919.db2.gz DLHQBQRFZSKJOW-ZWKOTPCHSA-N 2 1 325.497 1.414 20 0 EDADMP CCC[C@@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451524789 305350920 /nfs/dbraw/zinc/35/09/20/305350920.db2.gz DLHQBQRFZSKJOW-ZWKOTPCHSA-N 2 1 325.497 1.414 20 0 EDADMP CCC[C@@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451524789 305350921 /nfs/dbraw/zinc/35/09/21/305350921.db2.gz DLHQBQRFZSKJOW-ZWKOTPCHSA-N 2 1 325.497 1.414 20 0 EDADMP CC[C@@H](C(=O)OC)N1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451539991 305352172 /nfs/dbraw/zinc/35/21/72/305352172.db2.gz WBTHILDRLGHOLC-SJORKVTESA-N 2 1 339.480 1.204 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452169534 305385557 /nfs/dbraw/zinc/38/55/57/305385557.db2.gz GEINFWOSYRWYBA-MAUKXSAKSA-N 2 1 337.508 1.722 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000458410226 447350707 /nfs/dbraw/zinc/35/07/07/447350707.db2.gz FLFHUSHFNHVDGJ-DLBZAZTESA-N 2 1 340.512 1.397 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458410226 447350714 /nfs/dbraw/zinc/35/07/14/447350714.db2.gz FLFHUSHFNHVDGJ-DLBZAZTESA-N 2 1 340.512 1.397 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000458410226 447350721 /nfs/dbraw/zinc/35/07/21/447350721.db2.gz FLFHUSHFNHVDGJ-DLBZAZTESA-N 2 1 340.512 1.397 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)CC[N@H+]1CCOC ZINC000377779849 447352902 /nfs/dbraw/zinc/35/29/02/447352902.db2.gz PVICVLCGPHNHEO-ZACQAIPSSA-N 2 1 325.497 1.580 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)Cn3c[nH+]cc3C)CCCC2)CC1 ZINC000528469642 305874200 /nfs/dbraw/zinc/87/42/00/305874200.db2.gz ASQGOMZHDLPUML-UHFFFAOYSA-N 2 1 334.464 1.731 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000539920172 306038235 /nfs/dbraw/zinc/03/82/35/306038235.db2.gz FEUBECUCLIOFEW-LPHOPBHVSA-N 2 1 347.503 1.642 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000539920172 306038236 /nfs/dbraw/zinc/03/82/36/306038236.db2.gz FEUBECUCLIOFEW-LPHOPBHVSA-N 2 1 347.503 1.642 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)Cn2c[nH+]c3c2CCCC3)ccc1=O ZINC000542708963 306057059 /nfs/dbraw/zinc/05/70/59/306057059.db2.gz BBPXECMTRAFZGG-UHFFFAOYSA-N 2 1 343.431 1.124 20 0 EDADMP CO[C@H]1CCCC[C@@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000549559340 306146709 /nfs/dbraw/zinc/14/67/09/306146709.db2.gz HAYTYEJURCWORA-YOEHRIQHSA-N 2 1 332.448 1.977 20 0 EDADMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000551739250 306160791 /nfs/dbraw/zinc/16/07/91/306160791.db2.gz YUMFITBMTVLBQG-OALUTQOASA-N 2 1 347.503 1.718 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000551891739 306165934 /nfs/dbraw/zinc/16/59/34/306165934.db2.gz CSUVZJWQYKPYTA-XWTMOSNGSA-N 2 1 334.508 1.240 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000551891739 306165935 /nfs/dbraw/zinc/16/59/35/306165935.db2.gz CSUVZJWQYKPYTA-XWTMOSNGSA-N 2 1 334.508 1.240 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000551891739 306165936 /nfs/dbraw/zinc/16/59/36/306165936.db2.gz CSUVZJWQYKPYTA-XWTMOSNGSA-N 2 1 334.508 1.240 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000551891738 306166079 /nfs/dbraw/zinc/16/60/79/306166079.db2.gz CSUVZJWQYKPYTA-XMTFNYHQSA-N 2 1 334.508 1.240 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000551891738 306166080 /nfs/dbraw/zinc/16/60/80/306166080.db2.gz CSUVZJWQYKPYTA-XMTFNYHQSA-N 2 1 334.508 1.240 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000551891738 306166081 /nfs/dbraw/zinc/16/60/81/306166081.db2.gz CSUVZJWQYKPYTA-XMTFNYHQSA-N 2 1 334.508 1.240 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@](C)(O)CC)CC2)CC1 ZINC000553158186 306183073 /nfs/dbraw/zinc/18/30/73/306183073.db2.gz OPGVCRCKFPJEOI-SFHVURJKSA-N 2 1 325.497 1.460 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000555596788 306203709 /nfs/dbraw/zinc/20/37/09/306203709.db2.gz DNSRBTDGYUHKDZ-HXUWFJFHSA-N 2 1 343.471 1.793 20 0 EDADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000555596788 306203712 /nfs/dbraw/zinc/20/37/12/306203712.db2.gz DNSRBTDGYUHKDZ-HXUWFJFHSA-N 2 1 343.471 1.793 20 0 EDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000555596788 306203713 /nfs/dbraw/zinc/20/37/13/306203713.db2.gz DNSRBTDGYUHKDZ-HXUWFJFHSA-N 2 1 343.471 1.793 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000556952371 306221929 /nfs/dbraw/zinc/22/19/29/306221929.db2.gz OPHMNMQANCSCCQ-FUHWJXTLSA-N 2 1 346.475 1.810 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000557223339 306226729 /nfs/dbraw/zinc/22/67/29/306226729.db2.gz FPCDSVVTQJNMMF-UHFFFAOYSA-N 2 1 339.528 1.091 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414946034 447369094 /nfs/dbraw/zinc/36/90/94/447369094.db2.gz JFNWNDMFFKDSGK-UKRRQHHQSA-N 2 1 335.448 1.440 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N1CC[N@H+](CCO)C[C@H]1C)C(C)C ZINC000458499805 447389635 /nfs/dbraw/zinc/38/96/35/447389635.db2.gz KOMHNDBQORKFGF-MRXNPFEDSA-N 2 1 328.501 1.203 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+](CCO)C[C@H]1C)C(C)C ZINC000458499805 447389642 /nfs/dbraw/zinc/38/96/42/447389642.db2.gz KOMHNDBQORKFGF-MRXNPFEDSA-N 2 1 328.501 1.203 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000458520122 447398189 /nfs/dbraw/zinc/39/81/89/447398189.db2.gz WPOXBKMPIRSJGX-OWCLPIDISA-N 2 1 326.485 1.005 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000458527080 447400583 /nfs/dbraw/zinc/40/05/83/447400583.db2.gz SKNWXIXALOZWGQ-ZNMIVQPWSA-N 2 1 328.501 1.059 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000665553169 453744635 /nfs/dbraw/zinc/74/46/35/453744635.db2.gz PKTKTBZBCGLZNI-CABCVRRESA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000665553169 453744637 /nfs/dbraw/zinc/74/46/37/453744637.db2.gz PKTKTBZBCGLZNI-CABCVRRESA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000665553169 453744639 /nfs/dbraw/zinc/74/46/39/453744639.db2.gz PKTKTBZBCGLZNI-CABCVRRESA-N 2 1 326.485 1.005 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419779060 447406845 /nfs/dbraw/zinc/40/68/45/447406845.db2.gz PDPJAYPKLJUIIZ-JKSUJKDBSA-N 2 1 346.475 1.039 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000378211401 447408665 /nfs/dbraw/zinc/40/86/65/447408665.db2.gz PUQDIUHDTWWXQR-CRAIPNDOSA-N 2 1 327.472 1.907 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000105134355 441237540 /nfs/dbraw/zinc/23/75/40/441237540.db2.gz PJQLMWOIZOWLBJ-QGZVFWFLSA-N 2 1 340.512 1.518 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000015305203 441199753 /nfs/dbraw/zinc/19/97/53/441199753.db2.gz WOBJBMNPGQDLEN-UHFFFAOYSA-N 2 1 347.459 1.490 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000015305203 441199758 /nfs/dbraw/zinc/19/97/58/441199758.db2.gz WOBJBMNPGQDLEN-UHFFFAOYSA-N 2 1 347.459 1.490 20 0 EDADMP Cc1cc(N2CCC([N@@H+](C)CC(=O)N(C)C3CC3)CC2)nc(C)[nH+]1 ZINC000080967764 441213331 /nfs/dbraw/zinc/21/33/31/441213331.db2.gz JGYGRTURQBJBKW-UHFFFAOYSA-N 2 1 331.464 1.615 20 0 EDADMP Cc1cc(N2CCC([N@H+](C)CC(=O)N(C)C3CC3)CC2)nc(C)[nH+]1 ZINC000080967764 441213337 /nfs/dbraw/zinc/21/33/37/441213337.db2.gz JGYGRTURQBJBKW-UHFFFAOYSA-N 2 1 331.464 1.615 20 0 EDADMP C[C@H](O)CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072713360 441253095 /nfs/dbraw/zinc/25/30/95/441253095.db2.gz NBQYOZDWMPYLSO-XYJFISCASA-N 2 1 333.476 1.468 20 0 EDADMP C[C@H](O)CC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072713360 441253099 /nfs/dbraw/zinc/25/30/99/441253099.db2.gz NBQYOZDWMPYLSO-XYJFISCASA-N 2 1 333.476 1.468 20 0 EDADMP C[C@H](O)CC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072713360 441253103 /nfs/dbraw/zinc/25/31/03/441253103.db2.gz NBQYOZDWMPYLSO-XYJFISCASA-N 2 1 333.476 1.468 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCS(=O)(=O)N(C)C)C1 ZINC000072974828 441281905 /nfs/dbraw/zinc/28/19/05/441281905.db2.gz PLTZCFCOSCNKQB-IAGOWNOFSA-N 2 1 345.553 1.854 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCS(=O)(=O)N(C)C)C1 ZINC000072974828 441281907 /nfs/dbraw/zinc/28/19/07/441281907.db2.gz PLTZCFCOSCNKQB-IAGOWNOFSA-N 2 1 345.553 1.854 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000072974828 441281910 /nfs/dbraw/zinc/28/19/10/441281910.db2.gz PLTZCFCOSCNKQB-IAGOWNOFSA-N 2 1 345.553 1.854 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000072974828 441281914 /nfs/dbraw/zinc/28/19/14/441281914.db2.gz PLTZCFCOSCNKQB-IAGOWNOFSA-N 2 1 345.553 1.854 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC000073032945 441286751 /nfs/dbraw/zinc/28/67/51/441286751.db2.gz FHJUDOXNJMKRDB-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC000073032945 441286755 /nfs/dbraw/zinc/28/67/55/441286755.db2.gz FHJUDOXNJMKRDB-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000073643724 441337864 /nfs/dbraw/zinc/33/78/64/441337864.db2.gz WMUMKVJLHGEWNM-AEFFLSMTSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000073643724 441337866 /nfs/dbraw/zinc/33/78/66/441337866.db2.gz WMUMKVJLHGEWNM-AEFFLSMTSA-N 2 1 333.476 1.734 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000063824682 441356420 /nfs/dbraw/zinc/35/64/20/441356420.db2.gz WUKKXDVDFGEVIQ-IRXDYDNUSA-N 2 1 331.460 1.984 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000065441867 441435123 /nfs/dbraw/zinc/43/51/23/441435123.db2.gz XFOKVZBDRAGFCU-MRXNPFEDSA-N 2 1 331.464 1.644 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000085391114 441437570 /nfs/dbraw/zinc/43/75/70/441437570.db2.gz RHPJHKPJFOXRPS-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835504 441558004 /nfs/dbraw/zinc/55/80/04/441558004.db2.gz CXZUGTXOOPYXRS-SQNIBIBYSA-N 2 1 326.481 1.351 20 0 EDADMP Cc1cc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)nc(C)[nH+]1 ZINC000066816452 441571021 /nfs/dbraw/zinc/57/10/21/441571021.db2.gz NONCQDYNZZNBKZ-UHFFFAOYSA-N 2 1 327.432 1.997 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000076083694 441595242 /nfs/dbraw/zinc/59/52/42/441595242.db2.gz IPOSSHLOECOQGY-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP COc1cc2[nH+]c(N3CCC([NH+](C)C)CC3)nc(N)c2cc1OC ZINC000033648432 441596289 /nfs/dbraw/zinc/59/62/89/441596289.db2.gz ZKOFLFLVWMUYDN-UHFFFAOYSA-N 2 1 331.420 1.760 20 0 EDADMP C[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000039051568 441616680 /nfs/dbraw/zinc/61/66/80/441616680.db2.gz LTQYROHLIRXKDM-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000039051568 441616683 /nfs/dbraw/zinc/61/66/83/441616683.db2.gz LTQYROHLIRXKDM-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000039051568 441616687 /nfs/dbraw/zinc/61/66/87/441616687.db2.gz LTQYROHLIRXKDM-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP CO[C@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000076345086 441633580 /nfs/dbraw/zinc/63/35/80/441633580.db2.gz SCDZFFFCDYIFGB-NEWSRXKRSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@H]1CCC[N@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000076345086 441633584 /nfs/dbraw/zinc/63/35/84/441633584.db2.gz SCDZFFFCDYIFGB-NEWSRXKRSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@H]1CCC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000076345086 441633587 /nfs/dbraw/zinc/63/35/87/441633587.db2.gz SCDZFFFCDYIFGB-NEWSRXKRSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@H]1CCC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000076345086 441633590 /nfs/dbraw/zinc/63/35/90/441633590.db2.gz SCDZFFFCDYIFGB-NEWSRXKRSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000121784479 441779310 /nfs/dbraw/zinc/77/93/10/441779310.db2.gz OZUZCURTEXFYSD-APWZRJJASA-N 2 1 344.503 1.776 20 0 EDADMP C[C@H]1C[C@H](N(C)CC(=O)NC(=O)NCc2cccs2)CC[N@H+]1C ZINC000123061579 441875128 /nfs/dbraw/zinc/87/51/28/441875128.db2.gz RUXIAPHOIVDJJR-QWHCGFSZSA-N 2 1 338.477 1.488 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000077827944 441871488 /nfs/dbraw/zinc/87/14/88/441871488.db2.gz GPXGVFLVPSYCND-GOSISDBHSA-N 2 1 346.475 1.282 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000077827944 441871492 /nfs/dbraw/zinc/87/14/92/441871492.db2.gz GPXGVFLVPSYCND-GOSISDBHSA-N 2 1 346.475 1.282 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3C(N)=O)CC[C@@H]21 ZINC000139856944 441826852 /nfs/dbraw/zinc/82/68/52/441826852.db2.gz SJNUDQWHQNFHKW-CJNGLKHVSA-N 2 1 330.432 1.140 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCc2sccc2C1 ZINC000174261840 441907613 /nfs/dbraw/zinc/90/76/13/441907613.db2.gz BYGIFVFZIMFMOC-HNNXBMFYSA-N 2 1 336.505 1.890 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCc2sccc2C1 ZINC000174261840 441907616 /nfs/dbraw/zinc/90/76/16/441907616.db2.gz BYGIFVFZIMFMOC-HNNXBMFYSA-N 2 1 336.505 1.890 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000174261840 441907619 /nfs/dbraw/zinc/90/76/19/441907619.db2.gz BYGIFVFZIMFMOC-HNNXBMFYSA-N 2 1 336.505 1.890 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000174261840 441907622 /nfs/dbraw/zinc/90/76/22/441907622.db2.gz BYGIFVFZIMFMOC-HNNXBMFYSA-N 2 1 336.505 1.890 20 0 EDADMP CCOC(=O)[C@@H]1CCCCN1C(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123176557 441878915 /nfs/dbraw/zinc/87/89/15/441878915.db2.gz WSIASBMMOKKPRS-OAGGEKHMSA-N 2 1 339.480 1.345 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCc2cccc(OC)c2)[C@H](C)C1 ZINC000174775954 441968524 /nfs/dbraw/zinc/96/85/24/441968524.db2.gz JSZRGOALAQROGH-CRAIPNDOSA-N 2 1 333.476 1.974 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000078500695 441937660 /nfs/dbraw/zinc/93/76/60/441937660.db2.gz WMZNYJPEIAPZIN-MRXNPFEDSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[C@H](CNC(=O)NC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000078512080 441939306 /nfs/dbraw/zinc/93/93/06/441939306.db2.gz GNCHRLLXTPVZKM-MRXNPFEDSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H]1C[C@@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C[N@@H+]1C1CC1 ZINC000119933004 441978341 /nfs/dbraw/zinc/97/83/41/441978341.db2.gz PYAKSYCOYYOGMU-MAUKXSAKSA-N 2 1 344.503 1.693 20 0 EDADMP C[C@H]1C[C@@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C[N@H+]1C1CC1 ZINC000119933004 441978348 /nfs/dbraw/zinc/97/83/48/441978348.db2.gz PYAKSYCOYYOGMU-MAUKXSAKSA-N 2 1 344.503 1.693 20 0 EDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-n2cncn2)cc1 ZINC000151379617 442051999 /nfs/dbraw/zinc/05/19/99/442051999.db2.gz MNNAHNLBTUMTIA-OAHLLOKOSA-N 2 1 329.448 1.765 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000079568549 442062593 /nfs/dbraw/zinc/06/25/93/442062593.db2.gz XRRZEKOKTSFRPY-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H](C(=O)N1CCC(OCCC[NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000162201878 442073102 /nfs/dbraw/zinc/07/31/02/442073102.db2.gz MFDKMRNFMPMUSA-MRXNPFEDSA-N 2 1 345.487 1.790 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000175758158 442117413 /nfs/dbraw/zinc/11/74/13/442117413.db2.gz QURHZHXGQSQQGN-UHFFFAOYSA-N 2 1 328.501 1.517 20 0 EDADMP CC[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000151778515 442118388 /nfs/dbraw/zinc/11/83/88/442118388.db2.gz FRGNJXBCKQCUBP-UXPWSPDFSA-N 2 1 331.504 1.726 20 0 EDADMP CC[NH+]1CC[C@H](NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000151778515 442118394 /nfs/dbraw/zinc/11/83/94/442118394.db2.gz FRGNJXBCKQCUBP-UXPWSPDFSA-N 2 1 331.504 1.726 20 0 EDADMP CC[NH+]1CC[C@H](NC[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000151778515 442118396 /nfs/dbraw/zinc/11/83/96/442118396.db2.gz FRGNJXBCKQCUBP-UXPWSPDFSA-N 2 1 331.504 1.726 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)[C@H](C)C1 ZINC000151778515 442118401 /nfs/dbraw/zinc/11/84/01/442118401.db2.gz FRGNJXBCKQCUBP-UXPWSPDFSA-N 3 1 331.504 1.726 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)[C@H](C)C1 ZINC000151778515 442118404 /nfs/dbraw/zinc/11/84/04/442118404.db2.gz FRGNJXBCKQCUBP-UXPWSPDFSA-N 3 1 331.504 1.726 20 0 EDADMP CC(C)OC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175797093 442124828 /nfs/dbraw/zinc/12/48/28/442124828.db2.gz ZTLOOQOFILTTEQ-SCTDSRPQSA-N 2 1 342.524 1.984 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000175693101 442105863 /nfs/dbraw/zinc/10/58/63/442105863.db2.gz YHTSRMJZXXCOHY-IKGGRYGDSA-N 2 1 340.512 1.515 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000152183756 442177580 /nfs/dbraw/zinc/17/75/80/442177580.db2.gz NCLBLUNJNCXZQP-QZTJIDSGSA-N 2 1 333.476 1.642 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000152183756 442177583 /nfs/dbraw/zinc/17/75/83/442177583.db2.gz NCLBLUNJNCXZQP-QZTJIDSGSA-N 2 1 333.476 1.642 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000176441357 442222870 /nfs/dbraw/zinc/22/28/70/442222870.db2.gz YFRYLMSCDYKJQL-UHFFFAOYSA-N 2 1 349.479 1.236 20 0 EDADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[N@@H+](C)CCCOC ZINC000176550680 442233140 /nfs/dbraw/zinc/23/31/40/442233140.db2.gz VIDPSJJTJRXLEJ-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176635234 442242887 /nfs/dbraw/zinc/24/28/87/442242887.db2.gz NGRCDTGGRNWNCN-IAGOWNOFSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000177129354 442302044 /nfs/dbraw/zinc/30/20/44/442302044.db2.gz BAULTQYWWWXMNB-IBGZPJMESA-N 2 1 346.519 1.822 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000129632965 442325827 /nfs/dbraw/zinc/32/58/27/442325827.db2.gz SGHTUAKVDJJEKT-WMZOPIPTSA-N 2 1 347.507 1.755 20 0 EDADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000131745862 442379192 /nfs/dbraw/zinc/37/91/92/442379192.db2.gz YBBNDGLLACRTQI-AWEZNQCLSA-N 2 1 327.469 1.432 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000177579390 442359306 /nfs/dbraw/zinc/35/93/06/442359306.db2.gz AIXALRKUYSORCE-QYZOEREBSA-N 2 1 345.487 1.876 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000177579390 442359309 /nfs/dbraw/zinc/35/93/09/442359309.db2.gz AIXALRKUYSORCE-QYZOEREBSA-N 2 1 345.487 1.876 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CC2)[nH+]1 ZINC000172141041 442414215 /nfs/dbraw/zinc/41/42/15/442414215.db2.gz ZYZXDYOSQPAVCE-QGZVFWFLSA-N 2 1 343.475 1.848 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)CC2)[nH+]1 ZINC000172141041 442414218 /nfs/dbraw/zinc/41/42/18/442414218.db2.gz ZYZXDYOSQPAVCE-QGZVFWFLSA-N 2 1 343.475 1.848 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000155704346 442420740 /nfs/dbraw/zinc/42/07/40/442420740.db2.gz PHSQELVQANJZCV-MOPGFXCFSA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000155704346 442420741 /nfs/dbraw/zinc/42/07/41/442420741.db2.gz PHSQELVQANJZCV-MOPGFXCFSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2)C[C@H](C)O1 ZINC000178551156 442443422 /nfs/dbraw/zinc/44/34/22/442443422.db2.gz ZDVWGAOAKLHXOU-HLLBOEOZSA-N 2 1 331.460 1.717 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2)C[C@H](C)O1 ZINC000178551156 442443424 /nfs/dbraw/zinc/44/34/24/442443424.db2.gz ZDVWGAOAKLHXOU-HLLBOEOZSA-N 2 1 331.460 1.717 20 0 EDADMP C[C@H](C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)[NH+]1CCCCCC1 ZINC000172326503 442444857 /nfs/dbraw/zinc/44/48/57/442444857.db2.gz DODYFBQFOHYYIH-IAGOWNOFSA-N 2 1 337.508 1.963 20 0 EDADMP CC(C)[C@@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)[NH+](C)C ZINC000156227256 442456523 /nfs/dbraw/zinc/45/65/23/442456523.db2.gz DQWQZKJBQPZEOE-IRXDYDNUSA-N 2 1 346.475 1.661 20 0 EDADMP CC(C)[C@@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)[NH+](C)C ZINC000156227256 442456528 /nfs/dbraw/zinc/45/65/28/442456528.db2.gz DQWQZKJBQPZEOE-IRXDYDNUSA-N 2 1 346.475 1.661 20 0 EDADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000178845077 442501709 /nfs/dbraw/zinc/50/17/09/442501709.db2.gz KRPNPZXMTHFVPC-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000178845077 442501713 /nfs/dbraw/zinc/50/17/13/442501713.db2.gz KRPNPZXMTHFVPC-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP CCC[C@H]([NH3+])C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000178876587 442510987 /nfs/dbraw/zinc/51/09/87/442510987.db2.gz JNKAOQMDOQIFKL-IBGZPJMESA-N 2 1 346.519 1.828 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000191857688 442526344 /nfs/dbraw/zinc/52/63/44/442526344.db2.gz AURNJQBQRTYREP-JKSUJKDBSA-N 2 1 325.497 1.628 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@H](C)CC2)C1 ZINC000192183532 442608869 /nfs/dbraw/zinc/60/88/69/442608869.db2.gz YAEZCXWOIPXDSJ-HZPDHXFCSA-N 2 1 343.537 1.287 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCS[C@H](C)CC2)C1 ZINC000192183532 442608877 /nfs/dbraw/zinc/60/88/77/442608877.db2.gz YAEZCXWOIPXDSJ-HZPDHXFCSA-N 2 1 343.537 1.287 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCS[C@H](C)CC2)C1 ZINC000192183532 442608882 /nfs/dbraw/zinc/60/88/82/442608882.db2.gz YAEZCXWOIPXDSJ-HZPDHXFCSA-N 2 1 343.537 1.287 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000186952116 442636379 /nfs/dbraw/zinc/63/63/79/442636379.db2.gz DRYQPFQGUWRTFY-OAHLLOKOSA-N 2 1 333.476 1.665 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NCC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC000187015046 442645141 /nfs/dbraw/zinc/64/51/41/442645141.db2.gz FPCBAJSWESHXOO-UKRRQHHQSA-N 2 1 338.452 1.648 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NCC(=O)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000187012107 442645311 /nfs/dbraw/zinc/64/53/11/442645311.db2.gz FAILNAPYPNXBGM-KSZLIROESA-N 2 1 339.524 1.972 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000187012107 442645318 /nfs/dbraw/zinc/64/53/18/442645318.db2.gz FAILNAPYPNXBGM-KSZLIROESA-N 2 1 339.524 1.972 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000173148378 442611864 /nfs/dbraw/zinc/61/18/64/442611864.db2.gz OUWGZSIOYKHXQE-KRWDZBQOSA-N 2 1 325.497 1.770 20 0 EDADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192726258 442680728 /nfs/dbraw/zinc/68/07/28/442680728.db2.gz IXOJYOOUXYHFTQ-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP CSC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000187929989 442698173 /nfs/dbraw/zinc/69/81/73/442698173.db2.gz JAUGLHNOGFUVSE-UXLLHSPISA-N 2 1 330.538 1.922 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000193292730 442729972 /nfs/dbraw/zinc/72/99/72/442729972.db2.gz VSKLRLZFTFOEQR-IRXDYDNUSA-N 2 1 342.528 1.619 20 0 EDADMP COC(=O)[C@]1(C)CC[N@@H+](C[C@@H](C)C[NH+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000246604741 442796938 /nfs/dbraw/zinc/79/69/38/442796938.db2.gz UPJYSWGLNNYGQF-GJWQZFMSSA-N 2 1 340.464 1.393 20 0 EDADMP COC(=O)[C@]1(C)CC[NH+](C[C@@H](C)C[N@@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000246604741 442796942 /nfs/dbraw/zinc/79/69/42/442796942.db2.gz UPJYSWGLNNYGQF-GJWQZFMSSA-N 2 1 340.464 1.393 20 0 EDADMP COC(=O)[C@]1(C)CC[NH+](C[C@@H](C)C[N@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000246604741 442796945 /nfs/dbraw/zinc/79/69/45/442796945.db2.gz UPJYSWGLNNYGQF-GJWQZFMSSA-N 2 1 340.464 1.393 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246416003 442779976 /nfs/dbraw/zinc/77/99/76/442779976.db2.gz VGCOKIAKOMHGRZ-HZPDHXFCSA-N 2 1 331.526 1.322 20 0 EDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246416003 442779982 /nfs/dbraw/zinc/77/99/82/442779982.db2.gz VGCOKIAKOMHGRZ-HZPDHXFCSA-N 2 1 331.526 1.322 20 0 EDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246416003 442779986 /nfs/dbraw/zinc/77/99/86/442779986.db2.gz VGCOKIAKOMHGRZ-HZPDHXFCSA-N 2 1 331.526 1.322 20 0 EDADMP CN(CCCN1CC[NH+](C)CC1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000182708610 442810652 /nfs/dbraw/zinc/81/06/52/442810652.db2.gz DUKRGFHDLRSYCO-UHFFFAOYSA-N 2 1 339.528 1.140 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000182708610 442810657 /nfs/dbraw/zinc/81/06/57/442810657.db2.gz DUKRGFHDLRSYCO-UHFFFAOYSA-N 2 1 339.528 1.140 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000182708610 442810658 /nfs/dbraw/zinc/81/06/58/442810658.db2.gz DUKRGFHDLRSYCO-UHFFFAOYSA-N 2 1 339.528 1.140 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000268142444 442867744 /nfs/dbraw/zinc/86/77/44/442867744.db2.gz RIXRNOYOCWRZOP-HNAYVOBHSA-N 2 1 342.487 1.827 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000268142444 442867746 /nfs/dbraw/zinc/86/77/46/442867746.db2.gz RIXRNOYOCWRZOP-HNAYVOBHSA-N 2 1 342.487 1.827 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000268142444 442867749 /nfs/dbraw/zinc/86/77/49/442867749.db2.gz RIXRNOYOCWRZOP-HNAYVOBHSA-N 2 1 342.487 1.827 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1(C)C ZINC000249077915 442949311 /nfs/dbraw/zinc/94/93/11/442949311.db2.gz OYYRBJSKGPGLJY-FCEWJHQRSA-N 2 1 337.508 1.900 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000249176409 442959472 /nfs/dbraw/zinc/95/94/72/442959472.db2.gz ZIVARMYZHIHUFZ-BZUAXINKSA-N 2 1 340.512 1.346 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1CCCOCC1)c1ccccc1 ZINC000189562943 442979088 /nfs/dbraw/zinc/97/90/88/442979088.db2.gz QZSNEHDLASJOKU-KRWDZBQOSA-N 2 1 334.464 1.311 20 0 EDADMP C[C@H](CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000266074809 443008266 /nfs/dbraw/zinc/00/82/66/443008266.db2.gz AIQHNTMFVLBDLZ-SJORKVTESA-N 2 1 332.492 1.259 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@](C)(O)c3cccs3)cn2)CC1 ZINC000268536953 443025490 /nfs/dbraw/zinc/02/54/90/443025490.db2.gz JSZAIIUVPWGUFX-QGZVFWFLSA-N 2 1 347.488 1.287 20 0 EDADMP C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184582062 443043987 /nfs/dbraw/zinc/04/39/87/443043987.db2.gz OSLWDLRXZZOHPR-JQHSSLGASA-N 2 1 333.476 1.641 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3cccs3)CC2)[C@@H]1CO ZINC000190338690 443087541 /nfs/dbraw/zinc/08/75/41/443087541.db2.gz UUOVBGXKUIFECL-GOEBONIOSA-N 2 1 337.489 1.095 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)NCCC[N@@H+](C)C(C)C)c1 ZINC000268749902 443096778 /nfs/dbraw/zinc/09/67/78/443096778.db2.gz HDDHLRPPQSDBRL-CQSZACIVSA-N 2 1 327.494 1.976 20 0 EDADMP CC[C@]1(CO)CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000190218888 443073049 /nfs/dbraw/zinc/07/30/49/443073049.db2.gz WVBNKWKUGWZSID-SFHVURJKSA-N 2 1 333.480 1.213 20 0 EDADMP CC[C@]1(CO)CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000190218888 443073051 /nfs/dbraw/zinc/07/30/51/443073051.db2.gz WVBNKWKUGWZSID-SFHVURJKSA-N 2 1 333.480 1.213 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N(C)CC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000185108694 443138922 /nfs/dbraw/zinc/13/89/22/443138922.db2.gz PVXXSEJCUUDVQY-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)CC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000185108694 443138926 /nfs/dbraw/zinc/13/89/26/443138926.db2.gz PVXXSEJCUUDVQY-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)CC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000185108694 443138928 /nfs/dbraw/zinc/13/89/28/443138928.db2.gz PVXXSEJCUUDVQY-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC000185111435 443140109 /nfs/dbraw/zinc/14/01/09/443140109.db2.gz MGYDDDWGDMGLFR-OTWHNJEPSA-N 2 1 342.487 1.243 20 0 EDADMP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262049192 443181236 /nfs/dbraw/zinc/18/12/36/443181236.db2.gz UVDHDBPIGIXYBE-HNNXBMFYSA-N 2 1 345.834 1.496 20 0 EDADMP C[C@@H](O)CC[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000266639748 443194360 /nfs/dbraw/zinc/19/43/60/443194360.db2.gz AKNAUFMMOWRVAF-IAGOWNOFSA-N 2 1 347.503 1.858 20 0 EDADMP Cc1cc2ncn(C[C@@H](O)C[N@H+](C)C3(CO)CCOCC3)c2cc1C ZINC000191012967 443224898 /nfs/dbraw/zinc/22/48/98/443224898.db2.gz PZYYVFXFWNAYSW-INIZCTEOSA-N 2 1 347.459 1.487 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000269186655 443226605 /nfs/dbraw/zinc/22/66/05/443226605.db2.gz GCNMNGCYOIGNPZ-NXHRZFHOSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000269186655 443226607 /nfs/dbraw/zinc/22/66/07/443226607.db2.gz GCNMNGCYOIGNPZ-NXHRZFHOSA-N 2 1 331.460 1.473 20 0 EDADMP CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185721492 443245096 /nfs/dbraw/zinc/24/50/96/443245096.db2.gz NDQOIXUZYXNEHG-LSDHHAIUSA-N 2 1 338.496 1.855 20 0 EDADMP C[C@@H](C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[C@H](C)[NH3+] ZINC000262539387 443199639 /nfs/dbraw/zinc/19/96/39/443199639.db2.gz REWDOOLQSLNBMH-CABCVRRESA-N 2 1 325.497 1.900 20 0 EDADMP CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721492 443245101 /nfs/dbraw/zinc/24/51/01/443245101.db2.gz NDQOIXUZYXNEHG-LSDHHAIUSA-N 2 1 338.496 1.855 20 0 EDADMP COC(=O)[C@]1(C)CC[N@@H+](CC[C@@H](C)[NH+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000245704174 443246349 /nfs/dbraw/zinc/24/63/49/443246349.db2.gz WQLCBOSFAFBAPO-OLMNPRSZSA-N 2 1 340.464 1.535 20 0 EDADMP COC(=O)[C@]1(C)CC[NH+](CC[C@@H](C)[N@@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000245704174 443246353 /nfs/dbraw/zinc/24/63/53/443246353.db2.gz WQLCBOSFAFBAPO-OLMNPRSZSA-N 2 1 340.464 1.535 20 0 EDADMP C[C@@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000415083300 319345974 /nfs/dbraw/zinc/34/59/74/319345974.db2.gz PQOBVRZHJWIUHU-IAGOWNOFSA-N 2 1 333.476 1.485 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)nn1 ZINC000415127482 319346527 /nfs/dbraw/zinc/34/65/27/319346527.db2.gz NGSFCULYZKWBCL-SFHVURJKSA-N 2 1 341.459 1.941 20 0 EDADMP C[C@H](c1ccc(NC(=O)N2CC[NH2+][C@@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000415189938 319348364 /nfs/dbraw/zinc/34/83/64/319348364.db2.gz WUOIHNUVBYKIEU-LSDHHAIUSA-N 2 1 332.448 1.905 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)C[C@H](C)O1 ZINC000246160721 443274395 /nfs/dbraw/zinc/27/43/95/443274395.db2.gz DYDLIOZAVFXTEO-WCXIOVBPSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)C[C@H](C)O1 ZINC000246160721 443274398 /nfs/dbraw/zinc/27/43/98/443274398.db2.gz DYDLIOZAVFXTEO-WCXIOVBPSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)C[C@H](C)O1 ZINC000246160721 443274401 /nfs/dbraw/zinc/27/44/01/443274401.db2.gz DYDLIOZAVFXTEO-WCXIOVBPSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CC[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC000416910511 319472334 /nfs/dbraw/zinc/47/23/34/319472334.db2.gz BDURYKVVBLKWRZ-KBPBESRZSA-N 2 1 326.485 1.268 20 0 EDADMP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000267031896 443318636 /nfs/dbraw/zinc/31/86/36/443318636.db2.gz DTYSUBSQMRSUFJ-KRWDZBQOSA-N 2 1 349.450 1.363 20 0 EDADMP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000267031896 443318638 /nfs/dbraw/zinc/31/86/38/443318638.db2.gz DTYSUBSQMRSUFJ-KRWDZBQOSA-N 2 1 349.450 1.363 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000416943812 319481645 /nfs/dbraw/zinc/48/16/45/319481645.db2.gz UHOODKDNACOIAB-OWCLPIDISA-N 2 1 326.485 1.125 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000272493352 443338533 /nfs/dbraw/zinc/33/85/33/443338533.db2.gz UIKYYYKEFBPZCN-QAPCUYQASA-N 2 1 333.480 1.226 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000272496868 443340656 /nfs/dbraw/zinc/34/06/56/443340656.db2.gz DFAWJIZXNNVTGT-WBVHZDCISA-N 2 1 341.459 1.782 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000272496868 443340658 /nfs/dbraw/zinc/34/06/58/443340658.db2.gz DFAWJIZXNNVTGT-WBVHZDCISA-N 2 1 341.459 1.782 20 0 EDADMP C[C@H](C(=O)NCCN1CCC([NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000267200498 443376267 /nfs/dbraw/zinc/37/62/67/443376267.db2.gz DBSXZUGDBMZHFE-QGZVFWFLSA-N 2 1 346.519 1.649 20 0 EDADMP C[N@@H+](CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000278986303 443482691 /nfs/dbraw/zinc/48/26/91/443482691.db2.gz KMLMCDDTLWXOSA-OAHLLOKOSA-N 2 1 327.432 1.348 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423397360 319771071 /nfs/dbraw/zinc/77/10/71/319771071.db2.gz BYJZVKMTEZMZEI-DDTOSNHZSA-N 2 1 341.249 1.833 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3CCC[NH2+][C@H]3C)CC2)nc(C)[nH+]1 ZINC000423436636 319775381 /nfs/dbraw/zinc/77/53/81/319775381.db2.gz PZCZVSWYKIJPHE-BBRMVZONSA-N 2 1 331.464 1.567 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)nc2)C[C@H]1[NH+]1CCOCC1 ZINC000267627466 443519030 /nfs/dbraw/zinc/51/90/30/443519030.db2.gz POSSVLHLEYTSOB-GDBMZVCRSA-N 2 1 347.463 1.010 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000273055662 443530062 /nfs/dbraw/zinc/53/00/62/443530062.db2.gz IFUWXXVYQKPBTH-KBAYOESNSA-N 2 1 331.460 1.516 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCCCn2ccnc2)C1 ZINC000283158862 443543889 /nfs/dbraw/zinc/54/38/89/443543889.db2.gz FTSZRNFAMQOPCS-MRXNPFEDSA-N 2 1 349.479 1.018 20 0 EDADMP COc1ccccc1C[C@@H](C)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000283163548 443546231 /nfs/dbraw/zinc/54/62/31/443546231.db2.gz PBIVKWQOTFRKKB-MRXNPFEDSA-N 2 1 333.476 1.722 20 0 EDADMP COc1ccccc1C[C@@H](C)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000283163548 443546236 /nfs/dbraw/zinc/54/62/36/443546236.db2.gz PBIVKWQOTFRKKB-MRXNPFEDSA-N 2 1 333.476 1.722 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000431017463 319936778 /nfs/dbraw/zinc/93/67/78/319936778.db2.gz ATWIRDXVOIOUFD-SFHVURJKSA-N 2 1 349.475 1.701 20 0 EDADMP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000279954347 443649307 /nfs/dbraw/zinc/64/93/07/443649307.db2.gz ORFFGGPRSFFZJG-CRAIPNDOSA-N 2 1 331.460 1.589 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)nc(C)[nH+]1 ZINC000444268435 320123693 /nfs/dbraw/zinc/12/36/93/320123693.db2.gz JTIITAGKJDZJLP-CRAIPNDOSA-N 2 1 329.448 1.178 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000449363830 320184309 /nfs/dbraw/zinc/18/43/09/320184309.db2.gz PHJMLDHHKLAEBZ-OQIJWPOYSA-N 2 1 345.487 1.638 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000449363830 320184310 /nfs/dbraw/zinc/18/43/10/320184310.db2.gz PHJMLDHHKLAEBZ-OQIJWPOYSA-N 2 1 345.487 1.638 20 0 EDADMP CC[C@@H](CNS(C)(=O)=O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449442137 320190706 /nfs/dbraw/zinc/19/07/06/320190706.db2.gz JWDOYSGVQGDYSQ-AWEZNQCLSA-N 2 1 331.526 1.701 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453647844 320267130 /nfs/dbraw/zinc/26/71/30/320267130.db2.gz SASICYPBNULNDE-KRWDZBQOSA-N 2 1 346.475 1.630 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(C(N)=O)=NO2)CC[N@@H+]1Cc1ccccc1 ZINC000276536138 443738271 /nfs/dbraw/zinc/73/82/71/443738271.db2.gz WYTCYYVRZPBYGO-FVQBIDKESA-N 2 1 330.432 1.259 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(C(N)=O)=NO2)CC[N@H+]1Cc1ccccc1 ZINC000276536138 443738275 /nfs/dbraw/zinc/73/82/75/443738275.db2.gz WYTCYYVRZPBYGO-FVQBIDKESA-N 2 1 330.432 1.259 20 0 EDADMP COc1cc2[nH+]ccc(NC[C@H](O)C[NH+]3CCOCC3)c2cc1OC ZINC000298463631 443774861 /nfs/dbraw/zinc/77/48/61/443774861.db2.gz YURFBKDCBBMUIY-ZDUSSCGKSA-N 2 1 347.415 1.357 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](O)C12CCCC2)c1ccccc1 ZINC000292831223 443854739 /nfs/dbraw/zinc/85/47/39/443854739.db2.gz UDXPORUJCUSCHC-MSOLQXFVSA-N 2 1 345.487 1.785 20 0 EDADMP CC[C@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC000281402596 443900896 /nfs/dbraw/zinc/90/08/96/443900896.db2.gz NQNWMHZSZSALRN-ROUUACIJSA-N 2 1 333.476 1.906 20 0 EDADMP CC[C@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC000281402596 443900897 /nfs/dbraw/zinc/90/08/97/443900897.db2.gz NQNWMHZSZSALRN-ROUUACIJSA-N 2 1 333.476 1.906 20 0 EDADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccnc(N)c1 ZINC000285350301 443951679 /nfs/dbraw/zinc/95/16/79/443951679.db2.gz DNFXMAPUHYKUHU-UHFFFAOYSA-N 2 1 339.487 1.913 20 0 EDADMP C[N@H+](CCNC(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000289094773 444052067 /nfs/dbraw/zinc/05/20/67/444052067.db2.gz MLJSYNAEOIEZCY-SFHVURJKSA-N 2 1 330.476 1.649 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000289094773 444052071 /nfs/dbraw/zinc/05/20/71/444052071.db2.gz MLJSYNAEOIEZCY-SFHVURJKSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+](CCNC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000289094773 444052075 /nfs/dbraw/zinc/05/20/75/444052075.db2.gz MLJSYNAEOIEZCY-SFHVURJKSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+](CCNC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000289094773 444052079 /nfs/dbraw/zinc/05/20/79/444052079.db2.gz MLJSYNAEOIEZCY-SFHVURJKSA-N 2 1 330.476 1.649 20 0 EDADMP CC(C)[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000561108095 321032892 /nfs/dbraw/zinc/03/28/92/321032892.db2.gz PPKRWADYOZLAFC-LJQANCHMSA-N 2 1 347.503 1.877 20 0 EDADMP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]([NH3+])C2)(N2CCCCC2)CC1 ZINC000562803802 321077064 /nfs/dbraw/zinc/07/70/64/321077064.db2.gz CAWWAEMINNDLSJ-MRXNPFEDSA-N 2 1 337.512 1.069 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CC[C@H](Oc3ccccc3)C2)C1=O ZINC000563141358 321098841 /nfs/dbraw/zinc/09/88/41/321098841.db2.gz IDBDNIAKZJMQPO-DLBZAZTESA-N 2 1 345.443 1.219 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CC[C@H](Oc3ccccc3)C2)C1=O ZINC000563141358 321098842 /nfs/dbraw/zinc/09/88/42/321098842.db2.gz IDBDNIAKZJMQPO-DLBZAZTESA-N 2 1 345.443 1.219 20 0 EDADMP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C)cc2)CC1 ZINC000299592752 444089892 /nfs/dbraw/zinc/08/98/92/444089892.db2.gz WMOQXHWOJGRTKD-SFHVURJKSA-N 2 1 330.476 1.857 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000565597732 321192664 /nfs/dbraw/zinc/19/26/64/321192664.db2.gz UOESSJNNFGVHEY-QGZVFWFLSA-N 2 1 334.464 1.222 20 0 EDADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000567874357 321264069 /nfs/dbraw/zinc/26/40/69/321264069.db2.gz MEBUPBOMAKRVRM-ZWKOTPCHSA-N 2 1 336.476 1.480 20 0 EDADMP COc1cc2c(cc1CNC[C@H]1CCCC[N@@H+]1CCO)O[C@@H](C)C2 ZINC000568473411 321292432 /nfs/dbraw/zinc/29/24/32/321292432.db2.gz DEICENUPCKGCES-WMLDXEAASA-N 2 1 334.460 1.955 20 0 EDADMP COc1cc2c(cc1CNC[C@H]1CCCC[N@H+]1CCO)O[C@@H](C)C2 ZINC000568473411 321292434 /nfs/dbraw/zinc/29/24/34/321292434.db2.gz DEICENUPCKGCES-WMLDXEAASA-N 2 1 334.460 1.955 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000568738811 321303807 /nfs/dbraw/zinc/30/38/07/321303807.db2.gz WPQKXXMPTIBMET-INDMIFKZSA-N 2 1 342.487 1.887 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568764842 321305329 /nfs/dbraw/zinc/30/53/29/321305329.db2.gz NMCNCRPQBXFJRL-KRWDZBQOSA-N 2 1 333.501 1.674 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568764842 321305330 /nfs/dbraw/zinc/30/53/30/321305330.db2.gz NMCNCRPQBXFJRL-KRWDZBQOSA-N 2 1 333.501 1.674 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000568765546 321305496 /nfs/dbraw/zinc/30/54/96/321305496.db2.gz KFHLZGITPKBZMH-MRXNPFEDSA-N 2 1 336.867 1.282 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000568765546 321305498 /nfs/dbraw/zinc/30/54/98/321305498.db2.gz KFHLZGITPKBZMH-MRXNPFEDSA-N 2 1 336.867 1.282 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnn1 ZINC000278306974 444135081 /nfs/dbraw/zinc/13/50/81/444135081.db2.gz DKSPWQHSUGDWQY-MRXNPFEDSA-N 2 1 334.468 1.034 20 0 EDADMP C[C@@H]1CCCN(c2cc(N3CCN(CCO)C(C)(C)C3)ncn2)C1 ZINC000302561704 444216327 /nfs/dbraw/zinc/21/63/27/444216327.db2.gz UQWXFVDFRQVDBV-OAHLLOKOSA-N 2 1 333.480 1.606 20 0 EDADMP COc1cccc([C@H](C)[NH+]2CCN(C[C@@H](O)C[N@H+](C)C3CC3)CC2)c1 ZINC000289748558 444198329 /nfs/dbraw/zinc/19/83/29/444198329.db2.gz IQYOFCNQDIOMTR-LPHOPBHVSA-N 2 1 347.503 1.829 20 0 EDADMP COc1cccc([C@H](C)[NH+]2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)CC2)c1 ZINC000289748558 444198330 /nfs/dbraw/zinc/19/83/30/444198330.db2.gz IQYOFCNQDIOMTR-LPHOPBHVSA-N 2 1 347.503 1.829 20 0 EDADMP OCc1cn(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nn1 ZINC000289941156 444222422 /nfs/dbraw/zinc/22/24/22/444222422.db2.gz VYSMJCRNCHILSY-UHFFFAOYSA-N 2 1 343.475 1.457 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000290218218 444255578 /nfs/dbraw/zinc/25/55/78/444255578.db2.gz STAKVZDVXZWJMU-MSOLQXFVSA-N 2 1 345.491 1.098 20 0 EDADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000305223426 444266279 /nfs/dbraw/zinc/26/62/79/444266279.db2.gz UVVPZUWNGPQHTL-ZWKOTPCHSA-N 2 1 333.476 1.327 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)C1 ZINC000305237668 444267317 /nfs/dbraw/zinc/26/73/17/444267317.db2.gz OLSDXZDCKNQEPN-UXHICEINSA-N 2 1 347.503 1.276 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)C1 ZINC000305237668 444267320 /nfs/dbraw/zinc/26/73/20/444267320.db2.gz OLSDXZDCKNQEPN-UXHICEINSA-N 2 1 347.503 1.276 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000289979298 444226741 /nfs/dbraw/zinc/22/67/41/444226741.db2.gz QKVCURNHSWLZMX-INIZCTEOSA-N 2 1 347.459 1.390 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000289979298 444226742 /nfs/dbraw/zinc/22/67/42/444226742.db2.gz QKVCURNHSWLZMX-INIZCTEOSA-N 2 1 347.459 1.390 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)nc2)CC[N@H+](C2CC2)C1 ZINC000297687575 444319098 /nfs/dbraw/zinc/31/90/98/444319098.db2.gz WRQXCVLWHYRQPJ-AWEZNQCLSA-N 2 1 331.464 1.773 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)CC2 ZINC000577956451 321699573 /nfs/dbraw/zinc/69/95/73/321699573.db2.gz CHAHRKKRUQXDIN-WBVHZDCISA-N 2 1 334.464 1.323 20 0 EDADMP CC(C)CCOCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000321959680 444338028 /nfs/dbraw/zinc/33/80/28/444338028.db2.gz XKKAJUDBGVRJJI-IAGOWNOFSA-N 2 1 325.497 1.629 20 0 EDADMP CCCn1cc(CN2CCCN(C(=O)Cn3cc[nH+]c3C)CC2)cn1 ZINC000297935319 444362514 /nfs/dbraw/zinc/36/25/14/444362514.db2.gz VBDFBWMHYRSVAV-UHFFFAOYSA-N 2 1 344.463 1.533 20 0 EDADMP O=C(NCC[NH+]1CCC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000337726575 444376597 /nfs/dbraw/zinc/37/65/97/444376597.db2.gz UJJVSONAZGHODN-GOSISDBHSA-N 2 1 330.476 1.556 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000579600070 321952876 /nfs/dbraw/zinc/95/28/76/321952876.db2.gz ADTBRTYLOTXVDW-OAHLLOKOSA-N 2 1 348.491 1.760 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000337974646 444477127 /nfs/dbraw/zinc/47/71/27/444477127.db2.gz FOOFFPGEFSYGAZ-GOSISDBHSA-N 2 1 331.460 1.142 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000337974646 444477130 /nfs/dbraw/zinc/47/71/30/444477130.db2.gz FOOFFPGEFSYGAZ-GOSISDBHSA-N 2 1 331.460 1.142 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CCC(=O)Nc1ccccc1 ZINC000580543670 322063947 /nfs/dbraw/zinc/06/39/47/322063947.db2.gz NHVHPHBMVMQVLF-QGZVFWFLSA-N 2 1 346.475 1.548 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CCC(=O)Nc1ccccc1 ZINC000580543670 322063948 /nfs/dbraw/zinc/06/39/48/322063948.db2.gz NHVHPHBMVMQVLF-QGZVFWFLSA-N 2 1 346.475 1.548 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000580823428 322100067 /nfs/dbraw/zinc/10/00/67/322100067.db2.gz UOBNBGMWOIGVBN-QGZVFWFLSA-N 2 1 339.528 1.186 20 0 EDADMP CC[C@@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[N@H+]1CCc2ccccc2C1 ZINC000580941642 322114527 /nfs/dbraw/zinc/11/45/27/322114527.db2.gz YXPNEFMVULAMQV-WNRNVDISSA-N 2 1 328.460 1.340 20 0 EDADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Cn1cccn1 ZINC000581246088 322154141 /nfs/dbraw/zinc/15/41/41/322154141.db2.gz HVNQRNPYOSBKBF-RBUKOAKNSA-N 2 1 328.460 1.398 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000581597162 322196603 /nfs/dbraw/zinc/19/66/03/322196603.db2.gz KPSQMZRPCOHEGD-IAGOWNOFSA-N 2 1 332.448 1.020 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1[NH3+] ZINC000332312893 444509704 /nfs/dbraw/zinc/50/97/04/444509704.db2.gz TZXQWMHJPQTHDU-MXSMSXNCSA-N 2 1 330.476 1.886 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC[N@H+]1C ZINC000343764722 444574075 /nfs/dbraw/zinc/57/40/75/444574075.db2.gz WDOGSLCFQGWQDR-CVEARBPZSA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H]2CCN(c3ccccn3)C2)C[C@H]1C ZINC000332783080 444551853 /nfs/dbraw/zinc/55/18/53/444551853.db2.gz YFMZSYYMDLALRZ-PMPSAXMXSA-N 2 1 331.464 1.784 20 0 EDADMP CCN1C[C@H](C)N(C(=O)N[C@H]2CCN(c3ccccn3)C2)C[C@H]1C ZINC000332783080 444551855 /nfs/dbraw/zinc/55/18/55/444551855.db2.gz YFMZSYYMDLALRZ-PMPSAXMXSA-N 2 1 331.464 1.784 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000333014888 444629416 /nfs/dbraw/zinc/62/94/16/444629416.db2.gz WRUVQMYTRJURRB-RCCFBDPRSA-N 2 1 337.508 1.745 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000340962978 444600766 /nfs/dbraw/zinc/60/07/66/444600766.db2.gz PJSHAROMUQHIRF-IKGGRYGDSA-N 2 1 339.528 1.040 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000340962978 444600772 /nfs/dbraw/zinc/60/07/72/444600772.db2.gz PJSHAROMUQHIRF-IKGGRYGDSA-N 2 1 339.528 1.040 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000340962978 444600777 /nfs/dbraw/zinc/60/07/77/444600777.db2.gz PJSHAROMUQHIRF-IKGGRYGDSA-N 2 1 339.528 1.040 20 0 EDADMP C[C@@H]1C[N@@H+](CCCO[C@H]2CCCCO2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000338283713 444610580 /nfs/dbraw/zinc/61/05/80/444610580.db2.gz SVWNEBITDHQSEM-QYZOEREBSA-N 2 1 339.524 1.878 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C3CC(C(F)(F)F)C3)cn2)CC1 ZINC000342307487 444622574 /nfs/dbraw/zinc/62/25/74/444622574.db2.gz RJOLNIBVJJHHJO-UHFFFAOYSA-N 2 1 329.370 1.659 20 0 EDADMP CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000338310088 444624607 /nfs/dbraw/zinc/62/46/07/444624607.db2.gz YYPUOIBBGSLIRW-CGTJXYLNSA-N 2 1 337.508 1.676 20 0 EDADMP CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000338310088 444624609 /nfs/dbraw/zinc/62/46/09/444624609.db2.gz YYPUOIBBGSLIRW-CGTJXYLNSA-N 2 1 337.508 1.676 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000333501379 444676440 /nfs/dbraw/zinc/67/64/40/444676440.db2.gz DIVBGSFLRBZIHP-MRXNPFEDSA-N 2 1 336.480 1.167 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000341161565 444703833 /nfs/dbraw/zinc/70/38/33/444703833.db2.gz XCKOKJIRNPWJBG-MRXNPFEDSA-N 2 1 344.503 1.821 20 0 EDADMP CC(=O)N1CC[C@H](C[N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000329765067 444708812 /nfs/dbraw/zinc/70/88/12/444708812.db2.gz WNQCTJIISXYQPO-MRXNPFEDSA-N 2 1 327.432 1.876 20 0 EDADMP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344040590 444744149 /nfs/dbraw/zinc/74/41/49/444744149.db2.gz VOGAPZWUNDKGAM-LXPRWKDFSA-N 2 1 340.556 1.885 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCCC[NH+]2CCCC2)C[C@H]1CC ZINC000342571663 444749484 /nfs/dbraw/zinc/74/94/84/444749484.db2.gz TYTVGPICDICZJS-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC[NH+](CC)C(C)C)C[C@H]1CC ZINC000342651314 444796867 /nfs/dbraw/zinc/79/68/67/444796867.db2.gz NLZUOJLXCWANOP-QGZVFWFLSA-N 2 1 342.528 1.859 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@H+](CC)C(C)C)C[C@H]1CC ZINC000342651314 444796869 /nfs/dbraw/zinc/79/68/69/444796869.db2.gz NLZUOJLXCWANOP-QGZVFWFLSA-N 2 1 342.528 1.859 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+](CC)C(C)C)C[C@H]1CC ZINC000342651314 444796873 /nfs/dbraw/zinc/79/68/73/444796873.db2.gz NLZUOJLXCWANOP-QGZVFWFLSA-N 2 1 342.528 1.859 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH+]2C)C[C@@H]1CC ZINC000342656290 444799838 /nfs/dbraw/zinc/79/98/38/444799838.db2.gz LGSIIIUTOHGEKY-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)C[C@@H]1CC ZINC000342656290 444799840 /nfs/dbraw/zinc/79/98/40/444799840.db2.gz LGSIIIUTOHGEKY-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)C[C@@H]1CC ZINC000342656290 444799842 /nfs/dbraw/zinc/79/98/42/444799842.db2.gz LGSIIIUTOHGEKY-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000336855310 444804179 /nfs/dbraw/zinc/80/41/79/444804179.db2.gz WFDCOTIFQBXCCB-MRXNPFEDSA-N 2 1 327.494 1.742 20 0 EDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000336855310 444804181 /nfs/dbraw/zinc/80/41/81/444804181.db2.gz WFDCOTIFQBXCCB-MRXNPFEDSA-N 2 1 327.494 1.742 20 0 EDADMP C[N@@H+](C[C@@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000336875617 444822020 /nfs/dbraw/zinc/82/20/20/444822020.db2.gz JNCVEWFSXYVSJG-QGZVFWFLSA-N 2 1 325.497 1.018 20 0 EDADMP CN(C[C@@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000336875617 444822024 /nfs/dbraw/zinc/82/20/24/444822024.db2.gz JNCVEWFSXYVSJG-QGZVFWFLSA-N 2 1 325.497 1.018 20 0 EDADMP C[C@@H]1C[C@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000344205318 444838313 /nfs/dbraw/zinc/83/83/13/444838313.db2.gz RCLAOKAEXISRIP-VQIMIIECSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1C[C@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000344205318 444838317 /nfs/dbraw/zinc/83/83/17/444838317.db2.gz RCLAOKAEXISRIP-VQIMIIECSA-N 2 1 345.487 1.865 20 0 EDADMP Cc1nn(C)c(C)c1[C@H]1[C@H](N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC(=O)N1C ZINC000330177597 444874635 /nfs/dbraw/zinc/87/46/35/444874635.db2.gz DBJXYTMKSYHGDM-DWLQVLJDSA-N 2 1 345.491 1.381 20 0 EDADMP Cc1nn(C)c(C)c1[C@H]1[C@H](N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC(=O)N1C ZINC000330177597 444874637 /nfs/dbraw/zinc/87/46/37/444874637.db2.gz DBJXYTMKSYHGDM-DWLQVLJDSA-N 2 1 345.491 1.381 20 0 EDADMP CC(C)C[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)[NH+]1CCOCC1 ZINC000336880289 444828386 /nfs/dbraw/zinc/82/83/86/444828386.db2.gz PIHOMYBRCOQNQE-SFHVURJKSA-N 2 1 331.460 1.767 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000342862276 444899610 /nfs/dbraw/zinc/89/96/10/444899610.db2.gz RFBYBHGKKJCPJN-BLLLJJGKSA-N 2 1 331.464 1.376 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000342862276 444899611 /nfs/dbraw/zinc/89/96/11/444899611.db2.gz RFBYBHGKKJCPJN-BLLLJJGKSA-N 2 1 331.464 1.376 20 0 EDADMP COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000337327194 445033763 /nfs/dbraw/zinc/03/37/63/445033763.db2.gz XBAJRHMRCWEQJL-DLBZAZTESA-N 2 1 325.497 1.676 20 0 EDADMP COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000337327194 445033766 /nfs/dbraw/zinc/03/37/66/445033766.db2.gz XBAJRHMRCWEQJL-DLBZAZTESA-N 2 1 325.497 1.676 20 0 EDADMP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000341769679 444993542 /nfs/dbraw/zinc/99/35/42/444993542.db2.gz MRRQEEOYRRJFSU-QFBILLFUSA-N 2 1 344.503 1.960 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000343020549 445009740 /nfs/dbraw/zinc/00/97/40/445009740.db2.gz QUFNQHRSVLKFFL-HOTGVXAUSA-N 2 1 340.512 1.214 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000344546944 445050958 /nfs/dbraw/zinc/05/09/58/445050958.db2.gz SOIJVFMOXDRBLI-ZACQAIPSSA-N 2 1 325.497 1.581 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000344546944 445050961 /nfs/dbraw/zinc/05/09/61/445050961.db2.gz SOIJVFMOXDRBLI-ZACQAIPSSA-N 2 1 325.497 1.581 20 0 EDADMP O=C(NCC[NH+]1CCC1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000337507587 445109908 /nfs/dbraw/zinc/10/99/08/445109908.db2.gz BXLIICYALPKRBB-UHFFFAOYSA-N 2 1 344.459 1.433 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[NH+]1CCSCC1 ZINC000343197457 445128776 /nfs/dbraw/zinc/12/87/76/445128776.db2.gz JIXXBLWFRJSPPQ-CABCVRRESA-N 2 1 341.521 1.135 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)[NH+]1CCSCC1 ZINC000343197457 445128780 /nfs/dbraw/zinc/12/87/80/445128780.db2.gz JIXXBLWFRJSPPQ-CABCVRRESA-N 2 1 341.521 1.135 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000345096272 445163215 /nfs/dbraw/zinc/16/32/15/445163215.db2.gz AJKBOHQQOCKHQI-BDXSIMOUSA-N 2 1 336.524 1.344 20 0 EDADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC[NH+]1CCSCC1 ZINC000345075691 445160589 /nfs/dbraw/zinc/16/05/89/445160589.db2.gz OHTGNTIOCRMFIM-GJZGRUSLSA-N 2 1 326.510 1.303 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)C[C@H]21 ZINC000342079110 445160974 /nfs/dbraw/zinc/16/09/74/445160974.db2.gz DUORMEWDDIXSDV-BRWVUGGUSA-N 2 1 344.459 1.462 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)C[NH+]1CCCCC1 ZINC000351767313 445314113 /nfs/dbraw/zinc/31/41/13/445314113.db2.gz GJSULXILVIYSHQ-ZACQAIPSSA-N 2 1 340.512 1.205 20 0 EDADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000348121246 445279577 /nfs/dbraw/zinc/27/95/77/445279577.db2.gz BYJDWCXPWNHZOU-HZMVEIRTSA-N 2 1 338.496 1.364 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@@H](OC)C[C@@H]1C[NH+]1CCCC1)C(C)C ZINC000348129579 445284421 /nfs/dbraw/zinc/28/44/21/445284421.db2.gz TZIMGFWMCTWOPX-SJORKVTESA-N 2 1 340.512 1.611 20 0 EDADMP COC[C@H](C)[N@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348160689 445295211 /nfs/dbraw/zinc/29/52/11/445295211.db2.gz AIKXNGXNJAYCGS-MJBXVCDLSA-N 2 1 325.432 1.426 20 0 EDADMP COC[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348160689 445295213 /nfs/dbraw/zinc/29/52/13/445295213.db2.gz AIKXNGXNJAYCGS-MJBXVCDLSA-N 2 1 325.432 1.426 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C[C@H]1C ZINC000351738941 445301310 /nfs/dbraw/zinc/30/13/10/445301310.db2.gz SVKXFFYMSOGINT-BBWFWOEESA-N 2 1 339.528 1.137 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C[C@H]1C ZINC000351738941 445301314 /nfs/dbraw/zinc/30/13/14/445301314.db2.gz SVKXFFYMSOGINT-BBWFWOEESA-N 2 1 339.528 1.137 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C[C@H]1C ZINC000351738941 445301320 /nfs/dbraw/zinc/30/13/20/445301320.db2.gz SVKXFFYMSOGINT-BBWFWOEESA-N 2 1 339.528 1.137 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)c2sccc2C[NH+](C)C)[N@@H+](C)C1 ZINC000348701329 445349327 /nfs/dbraw/zinc/34/93/27/445349327.db2.gz KADSXCJJNVOMJM-ZIAGYGMSSA-N 2 1 325.478 1.601 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)c1ccccc1 ZINC000356976297 445356535 /nfs/dbraw/zinc/35/65/35/445356535.db2.gz CKPBXTUFEXYWGK-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP COCC[NH+](C)CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000356976297 445356538 /nfs/dbraw/zinc/35/65/38/445356538.db2.gz CKPBXTUFEXYWGK-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP COCC[NH+](C)CC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000356976297 445356542 /nfs/dbraw/zinc/35/65/42/445356542.db2.gz CKPBXTUFEXYWGK-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@]2([NH+](C)C)CCCSC2)C1 ZINC000362395681 445359344 /nfs/dbraw/zinc/35/93/44/445359344.db2.gz KFSQBKQJFQMNGQ-NVXWUHKLSA-N 2 1 343.537 1.287 20 0 EDADMP [NH3+]CCOCC[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000357078019 445411878 /nfs/dbraw/zinc/41/18/78/445411878.db2.gz JYHVGRMTOIXLOT-UHFFFAOYSA-N 2 1 327.856 1.312 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](CCCS(N)(=O)=O)CC1)CC1CC1 ZINC000357092667 445423620 /nfs/dbraw/zinc/42/36/20/445423620.db2.gz ZIRLENMBHKZOFK-UHFFFAOYSA-N 2 1 331.526 1.499 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000349007574 445474422 /nfs/dbraw/zinc/47/44/22/445474422.db2.gz NUAJUJPETMCMBD-FGTMMUONSA-N 2 1 338.540 1.639 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362554607 445437146 /nfs/dbraw/zinc/43/71/46/445437146.db2.gz YXCUGMCJWCSPJY-ZIAGYGMSSA-N 2 1 333.480 1.727 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000355060976 445441058 /nfs/dbraw/zinc/44/10/58/445441058.db2.gz QZBFESSGYGFRGD-NUJGCVRESA-N 2 1 332.492 1.430 20 0 EDADMP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000362565237 445442049 /nfs/dbraw/zinc/44/20/49/445442049.db2.gz SGHXLCLEEYMWNZ-AWEZNQCLSA-N 2 1 331.464 1.577 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362570401 445445250 /nfs/dbraw/zinc/44/52/50/445445250.db2.gz RFXOMDLQWCVTHV-HUUCEWRRSA-N 2 1 331.464 1.481 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000352066783 445469671 /nfs/dbraw/zinc/46/96/71/445469671.db2.gz DHVXRIFGHFNEDX-DOTOQJQBSA-N 2 1 343.537 1.607 20 0 EDADMP c1cc(NCCCCC[NH+]2CCCCC2)nc(N2CCOCC2)[nH+]1 ZINC000352357659 445522383 /nfs/dbraw/zinc/52/23/83/445522383.db2.gz ORVFZVMHVCRWJA-UHFFFAOYSA-N 2 1 333.480 2.381 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCCCNc1cc[nH+]c(N2CCOCC2)n1 ZINC000352411122 445527620 /nfs/dbraw/zinc/52/76/20/445527620.db2.gz WDRDJNRZMJQNLN-INIZCTEOSA-N 2 1 333.480 2.380 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNc1cc[nH+]c(N2CCOCC2)n1 ZINC000352411122 445527624 /nfs/dbraw/zinc/52/76/24/445527624.db2.gz WDRDJNRZMJQNLN-INIZCTEOSA-N 2 1 333.480 2.380 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](CC)C1 ZINC000359919155 445488454 /nfs/dbraw/zinc/48/84/54/445488454.db2.gz SUOOXTIEZXAFMT-ULQDDVLXSA-N 2 1 342.528 1.593 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357235136 445497787 /nfs/dbraw/zinc/49/77/87/445497787.db2.gz VMUSZFKTCUAJCS-GDBMZVCRSA-N 2 1 349.479 1.029 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357235136 445497790 /nfs/dbraw/zinc/49/77/90/445497790.db2.gz VMUSZFKTCUAJCS-GDBMZVCRSA-N 2 1 349.479 1.029 20 0 EDADMP CN(C[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)S(C)(=O)=O ZINC000352566421 445539054 /nfs/dbraw/zinc/53/90/54/445539054.db2.gz ZIQDNZSWHPNLPN-MRXNPFEDSA-N 2 1 331.526 1.466 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)S(C)(=O)=O ZINC000352566421 445539058 /nfs/dbraw/zinc/53/90/58/445539058.db2.gz ZIQDNZSWHPNLPN-MRXNPFEDSA-N 2 1 331.526 1.466 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000358017073 445599543 /nfs/dbraw/zinc/59/95/43/445599543.db2.gz UMFAHZAHQKMORJ-ZWKOTPCHSA-N 2 1 338.540 1.497 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000358277706 445615564 /nfs/dbraw/zinc/61/55/64/445615564.db2.gz PZLBUBPBGAMXLE-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C)[NH+]1CCOCC1 ZINC000353473718 445617991 /nfs/dbraw/zinc/61/79/91/445617991.db2.gz UYLHFVIQGYERGQ-BRWVUGGUSA-N 2 1 325.497 1.484 20 0 EDADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NC(=O)NCc1cccs1 ZINC000358512098 445625790 /nfs/dbraw/zinc/62/57/90/445625790.db2.gz UFLPSQPAXOOCAW-UHFFFAOYSA-N 2 1 336.461 1.149 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000358531464 445636852 /nfs/dbraw/zinc/63/68/52/445636852.db2.gz SPJMXHYSOMXFEI-HYVNUMGLSA-N 2 1 333.480 1.666 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000349663325 445639754 /nfs/dbraw/zinc/63/97/54/445639754.db2.gz PPGUGSLOWFMZCU-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000349663325 445639757 /nfs/dbraw/zinc/63/97/57/445639757.db2.gz PPGUGSLOWFMZCU-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC000358638188 445688003 /nfs/dbraw/zinc/68/80/03/445688003.db2.gz TZWMNLHEPLHMER-HOTGVXAUSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC000358638188 445688006 /nfs/dbraw/zinc/68/80/06/445688006.db2.gz TZWMNLHEPLHMER-HOTGVXAUSA-N 2 1 325.497 1.412 20 0 EDADMP CC(C)Cn1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000353667662 445699440 /nfs/dbraw/zinc/69/94/40/445699440.db2.gz DAWIRUOTCWARJR-UHFFFAOYSA-N 2 1 335.496 1.621 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1)C1CC1 ZINC000353734718 445730972 /nfs/dbraw/zinc/73/09/72/445730972.db2.gz HHDWOZYYSXTBNM-UHFFFAOYSA-N 2 1 347.463 1.406 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)cc2F)CC1 ZINC000356342368 445743435 /nfs/dbraw/zinc/74/34/35/445743435.db2.gz JDASLQIXQYSJON-GJZGRUSLSA-N 2 1 348.466 1.790 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)NC(N)=O)CC1)CC(C)C ZINC000358742726 445754285 /nfs/dbraw/zinc/75/42/85/445754285.db2.gz ZEVZIAHKTWIZLT-UHFFFAOYSA-N 2 1 326.485 1.651 20 0 EDADMP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000363314339 445762560 /nfs/dbraw/zinc/76/25/60/445762560.db2.gz LKOLTQHFPSGCHY-ROUUACIJSA-N 2 1 335.492 1.432 20 0 EDADMP C[N@@H+](C[C@H](O)Cc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363481550 445822826 /nfs/dbraw/zinc/82/28/26/445822826.db2.gz TUBBSDZEKYPDLE-WOJBJXKFSA-N 2 1 331.504 1.690 20 0 EDADMP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)CC1CCC1 ZINC000361488350 445784262 /nfs/dbraw/zinc/78/42/62/445784262.db2.gz ZCJLCGMVGXJLOJ-QGZVFWFLSA-N 2 1 325.497 1.581 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)CC1CCC1 ZINC000361488350 445784268 /nfs/dbraw/zinc/78/42/68/445784268.db2.gz ZCJLCGMVGXJLOJ-QGZVFWFLSA-N 2 1 325.497 1.581 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)CC1CCC1 ZINC000361488350 445784273 /nfs/dbraw/zinc/78/42/73/445784273.db2.gz ZCJLCGMVGXJLOJ-QGZVFWFLSA-N 2 1 325.497 1.581 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC000350182316 445788233 /nfs/dbraw/zinc/78/82/33/445788233.db2.gz YATQYKXBYMCCSK-QGZVFWFLSA-N 2 1 337.464 1.671 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC000350182316 445788237 /nfs/dbraw/zinc/78/82/37/445788237.db2.gz YATQYKXBYMCCSK-QGZVFWFLSA-N 2 1 337.464 1.671 20 0 EDADMP Cc1cccc(NC2CC[NH+](CCC(=O)N3CCOCC3)CC2)[nH+]1 ZINC000361516081 445797196 /nfs/dbraw/zinc/79/71/96/445797196.db2.gz USHDAXBHYVXCTJ-UHFFFAOYSA-N 2 1 332.448 1.515 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000350284601 445805796 /nfs/dbraw/zinc/80/57/96/445805796.db2.gz DYCKVMBYNRRECL-LSDHHAIUSA-N 2 1 342.484 1.042 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C1 ZINC000363877925 445881013 /nfs/dbraw/zinc/88/10/13/445881013.db2.gz XJYDMXIAQJYMRC-HOTGVXAUSA-N 2 1 347.507 1.714 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C1 ZINC000363877925 445881018 /nfs/dbraw/zinc/88/10/18/445881018.db2.gz XJYDMXIAQJYMRC-HOTGVXAUSA-N 2 1 347.507 1.714 20 0 EDADMP COCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CC[C@@H](C)C1 ZINC000361632673 445858364 /nfs/dbraw/zinc/85/83/64/445858364.db2.gz UFAFDSAXEZBSOZ-AEFFLSMTSA-N 2 1 347.507 1.865 20 0 EDADMP COCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CC[C@@H](C)C1 ZINC000361632673 445858368 /nfs/dbraw/zinc/85/83/68/445858368.db2.gz UFAFDSAXEZBSOZ-AEFFLSMTSA-N 2 1 347.507 1.865 20 0 EDADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000361666115 445867572 /nfs/dbraw/zinc/86/75/72/445867572.db2.gz CDWBFESLVMZYIX-HIFRSBDPSA-N 2 1 347.463 1.848 20 0 EDADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000361666115 445867577 /nfs/dbraw/zinc/86/75/77/445867577.db2.gz CDWBFESLVMZYIX-HIFRSBDPSA-N 2 1 347.463 1.848 20 0 EDADMP Cc1ccc(NCCCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)[nH+]c1 ZINC000364217927 445902724 /nfs/dbraw/zinc/90/27/24/445902724.db2.gz GZNXNMQTACJTQG-ZSZQSSIHSA-N 2 1 346.475 1.841 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000369079394 445915342 /nfs/dbraw/zinc/91/53/42/445915342.db2.gz UNVBNGPCZCFGEY-INIZCTEOSA-N 2 1 336.480 1.048 20 0 EDADMP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000369198707 445988001 /nfs/dbraw/zinc/98/80/01/445988001.db2.gz YXEUOFVJFJTAOJ-ZWKOTPCHSA-N 2 1 345.491 1.639 20 0 EDADMP O[C@@]1(C[NH2+]Cc2c[nH]c3nccnc23)CC[N@H+](Cc2ccccc2)C1 ZINC000583255926 326035016 /nfs/dbraw/zinc/03/50/16/326035016.db2.gz JHBZDZSNFBIQTR-LJQANCHMSA-N 2 1 337.427 1.636 20 0 EDADMP O[C@@]1(C[NH2+]Cc2c[nH]c3nccnc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000583255926 326035019 /nfs/dbraw/zinc/03/50/19/326035019.db2.gz JHBZDZSNFBIQTR-LJQANCHMSA-N 2 1 337.427 1.636 20 0 EDADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000583261045 326037201 /nfs/dbraw/zinc/03/72/01/326037201.db2.gz RSKAVFRPZMDMHQ-OLZOCXBDSA-N 2 1 337.386 1.098 20 0 EDADMP C[C@]1(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CCC[NH2+]C1 ZINC000583321180 326049918 /nfs/dbraw/zinc/04/99/18/326049918.db2.gz PJVGGALQVVEAFO-HKUYNNGSSA-N 2 1 330.476 1.800 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000583439618 326073545 /nfs/dbraw/zinc/07/35/45/326073545.db2.gz BUYHPOQHSBMUGU-SZMVWBNQSA-N 2 1 330.476 1.879 20 0 EDADMP CC[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000583682522 326117093 /nfs/dbraw/zinc/11/70/93/326117093.db2.gz ZFTNECUENGUHCO-ZWKOTPCHSA-N 2 1 330.476 1.875 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)[C@H](C)OC)CC2)CC1 ZINC000583761859 326136104 /nfs/dbraw/zinc/13/61/04/326136104.db2.gz DRAUJKPAMUBGSI-GJZGRUSLSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H](NC(=O)NC(C)(C)CC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583865762 326155092 /nfs/dbraw/zinc/15/50/92/326155092.db2.gz VSEBCTLRELVCPR-WBVHZDCISA-N 2 1 348.491 1.703 20 0 EDADMP C[C@@H](NC(=O)NC(C)(C)CC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583865762 326155094 /nfs/dbraw/zinc/15/50/94/326155094.db2.gz VSEBCTLRELVCPR-WBVHZDCISA-N 2 1 348.491 1.703 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000369317796 446068756 /nfs/dbraw/zinc/06/87/56/446068756.db2.gz ZOQFWKYHJAOJJN-HOCLYGCPSA-N 2 1 340.431 1.645 20 0 EDADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000369323420 446074423 /nfs/dbraw/zinc/07/44/23/446074423.db2.gz XESCZPRYRVBYSQ-HOTGVXAUSA-N 2 1 334.464 1.924 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCN(c4ccc(F)cc4)CC3)C[C@H]12 ZINC000351490067 446091753 /nfs/dbraw/zinc/09/17/53/446091753.db2.gz HSTIIBAZOYZBFT-FHLIZLRMSA-N 2 1 346.450 1.143 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCN(c4ccc(F)cc4)CC3)C[C@H]12 ZINC000351490067 446091756 /nfs/dbraw/zinc/09/17/56/446091756.db2.gz HSTIIBAZOYZBFT-FHLIZLRMSA-N 2 1 346.450 1.143 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000359266892 446103742 /nfs/dbraw/zinc/10/37/42/446103742.db2.gz UXOOJHDZNRLEAF-JKSUJKDBSA-N 2 1 340.512 1.214 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000351500109 446105314 /nfs/dbraw/zinc/10/53/14/446105314.db2.gz WORLHUANJSBRRP-BPUTZDHNSA-N 2 1 330.432 1.621 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000351500109 446105320 /nfs/dbraw/zinc/10/53/20/446105320.db2.gz WORLHUANJSBRRP-BPUTZDHNSA-N 2 1 330.432 1.621 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000369372572 446111415 /nfs/dbraw/zinc/11/14/15/446111415.db2.gz KBVUWCAHADJQTL-NUJGCVRESA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369372572 446111419 /nfs/dbraw/zinc/11/14/19/446111419.db2.gz KBVUWCAHADJQTL-NUJGCVRESA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369372572 446111422 /nfs/dbraw/zinc/11/14/22/446111422.db2.gz KBVUWCAHADJQTL-NUJGCVRESA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369372572 446111426 /nfs/dbraw/zinc/11/14/26/446111426.db2.gz KBVUWCAHADJQTL-NUJGCVRESA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369372572 446111427 /nfs/dbraw/zinc/11/14/27/446111427.db2.gz KBVUWCAHADJQTL-NUJGCVRESA-N 2 1 349.523 1.033 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000354360297 446143662 /nfs/dbraw/zinc/14/36/62/446143662.db2.gz IXJZVUPPXWFAIZ-HOTGVXAUSA-N 2 1 339.480 1.347 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000354360297 446143668 /nfs/dbraw/zinc/14/36/68/446143668.db2.gz IXJZVUPPXWFAIZ-HOTGVXAUSA-N 2 1 339.480 1.347 20 0 EDADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000370228544 446194399 /nfs/dbraw/zinc/19/43/99/446194399.db2.gz SOHHBSDPCSLJOV-JKSUJKDBSA-N 2 1 348.495 1.925 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCc2ccccc2)C1 ZINC000370258640 446199424 /nfs/dbraw/zinc/19/94/24/446199424.db2.gz DCAXWNWBSIBIJX-ZWKOTPCHSA-N 2 1 331.460 1.140 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCc2ccccc2)C1 ZINC000370258640 446199428 /nfs/dbraw/zinc/19/94/28/446199428.db2.gz DCAXWNWBSIBIJX-ZWKOTPCHSA-N 2 1 331.460 1.140 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)C1 ZINC000370258640 446199433 /nfs/dbraw/zinc/19/94/33/446199433.db2.gz DCAXWNWBSIBIJX-ZWKOTPCHSA-N 2 1 331.460 1.140 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCc2ccccc2)C1 ZINC000370258640 446199439 /nfs/dbraw/zinc/19/94/39/446199439.db2.gz DCAXWNWBSIBIJX-ZWKOTPCHSA-N 2 1 331.460 1.140 20 0 EDADMP c1cc(N2CCC(C[NH+]3CCCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000373399610 446201192 /nfs/dbraw/zinc/20/11/92/446201192.db2.gz RCKCTLRUYHDYRW-UHFFFAOYSA-N 2 1 331.464 1.625 20 0 EDADMP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C)C(C)C ZINC000359407355 446205872 /nfs/dbraw/zinc/20/58/72/446205872.db2.gz JZZGAADFPAUKSK-INIZCTEOSA-N 2 1 340.512 1.164 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000365720640 446314996 /nfs/dbraw/zinc/31/49/96/446314996.db2.gz VLXNDYMQYRSXIW-SFHVURJKSA-N 2 1 346.475 1.273 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000365720640 446315001 /nfs/dbraw/zinc/31/50/01/446315001.db2.gz VLXNDYMQYRSXIW-SFHVURJKSA-N 2 1 346.475 1.273 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000365843495 446367205 /nfs/dbraw/zinc/36/72/05/446367205.db2.gz LOKKSQZYINUQFK-INIZCTEOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000370664896 446378287 /nfs/dbraw/zinc/37/82/87/446378287.db2.gz LIRUULGOCLWGGV-DZVNLGKHSA-N 2 1 326.481 1.110 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@H]1c1ccccc1 ZINC000417953193 446398760 /nfs/dbraw/zinc/39/87/60/446398760.db2.gz ZBPFBIMTURDKFB-BFHYXJOUSA-N 2 1 326.391 1.714 20 0 EDADMP [NH3+]CCCCNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418061878 446428229 /nfs/dbraw/zinc/42/82/29/446428229.db2.gz BKXYHPKFWUREOZ-MRXNPFEDSA-N 2 1 336.505 1.642 20 0 EDADMP [NH3+]CCCCNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418061878 446428234 /nfs/dbraw/zinc/42/82/34/446428234.db2.gz BKXYHPKFWUREOZ-MRXNPFEDSA-N 2 1 336.505 1.642 20 0 EDADMP C[NH+](C)C[C@H]1CN(C(=O)c2csc(C[NH3+])n2)c2ccccc2O1 ZINC000370780797 446437952 /nfs/dbraw/zinc/43/79/52/446437952.db2.gz VQTQCZNEZBEGJM-NSHDSACASA-N 2 1 332.429 1.571 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)ccc1C[NH+](C)C ZINC000411244054 446441234 /nfs/dbraw/zinc/44/12/34/446441234.db2.gz MMNBFNYKDVYNGE-UHFFFAOYSA-N 2 1 334.464 1.452 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000370789272 446442351 /nfs/dbraw/zinc/44/23/51/446442351.db2.gz WMOUUZOKFHXTHO-IAGOWNOFSA-N 2 1 333.501 1.814 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000418132018 446442367 /nfs/dbraw/zinc/44/23/67/446442367.db2.gz DJPBSXFTURZSSY-ZWKOTPCHSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000418172099 446445466 /nfs/dbraw/zinc/44/54/66/446445466.db2.gz OZTGRDAEXIHSSB-HNNXBMFYSA-N 2 1 347.507 1.532 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417990926 446409951 /nfs/dbraw/zinc/40/99/51/446409951.db2.gz JYOLLZOVIUFVSZ-HUUCEWRRSA-N 2 1 326.391 1.747 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417990926 446409954 /nfs/dbraw/zinc/40/99/54/446409954.db2.gz JYOLLZOVIUFVSZ-HUUCEWRRSA-N 2 1 326.391 1.747 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417994766 446410252 /nfs/dbraw/zinc/41/02/52/446410252.db2.gz YZXGHHHCVOFNCB-OCCSQVGLSA-N 2 1 328.407 1.789 20 0 EDADMP C[C@H](NC(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418006685 446413908 /nfs/dbraw/zinc/41/39/08/446413908.db2.gz MOPBJNXEXNCDDP-XYJFISCASA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418009370 446414364 /nfs/dbraw/zinc/41/43/64/446414364.db2.gz PALCVMKLJVKLBW-JCGIZDLHSA-N 2 1 330.476 1.934 20 0 EDADMP COCC[NH2+]CCNC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000418046003 446424100 /nfs/dbraw/zinc/42/41/00/446424100.db2.gz PSEQNGQZZUQNCB-IBGZPJMESA-N 2 1 348.491 1.576 20 0 EDADMP COC1(C(=O)NC[C@@H]2CCC[N@H+]2CCc2ccccc2)CC[NH2+]CC1 ZINC000370766851 446426162 /nfs/dbraw/zinc/42/61/62/446426162.db2.gz OXYRZKNCPPJUOR-SFHVURJKSA-N 2 1 345.487 1.578 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000420294508 446457757 /nfs/dbraw/zinc/45/77/57/446457757.db2.gz OOZHBVMSEBUFRH-LJQANCHMSA-N 2 1 344.503 1.310 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](CCCOCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000420298585 446462518 /nfs/dbraw/zinc/46/25/18/446462518.db2.gz SDPQEBZLNSIHGH-LJQANCHMSA-N 2 1 345.487 1.737 20 0 EDADMP CCn1ccnc1C[N@H+](CCCC(=O)OC)[C@H]1CC12CC[NH2+]CC2 ZINC000420302289 446465501 /nfs/dbraw/zinc/46/55/01/446465501.db2.gz BRPOQHDJSWAMJI-HNNXBMFYSA-N 2 1 334.464 1.800 20 0 EDADMP CCn1ccnc1C[N@@H+](CCCC(=O)OC)[C@H]1CC12CC[NH2+]CC2 ZINC000420302289 446465506 /nfs/dbraw/zinc/46/55/06/446465506.db2.gz BRPOQHDJSWAMJI-HNNXBMFYSA-N 2 1 334.464 1.800 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+]1CCCCC1 ZINC000452800580 446475054 /nfs/dbraw/zinc/47/50/54/446475054.db2.gz RSSFWJXSKPCEMX-IRXDYDNUSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420311343 446475977 /nfs/dbraw/zinc/47/59/77/446475977.db2.gz QXRUMDXOFNKYEP-HOCLYGCPSA-N 2 1 325.478 1.117 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420311343 446475981 /nfs/dbraw/zinc/47/59/81/446475981.db2.gz QXRUMDXOFNKYEP-HOCLYGCPSA-N 2 1 325.478 1.117 20 0 EDADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423298329 446478413 /nfs/dbraw/zinc/47/84/13/446478413.db2.gz OBSZHTQWXBSHTQ-CJNGLKHVSA-N 2 1 325.478 1.819 20 0 EDADMP COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000420315259 446480081 /nfs/dbraw/zinc/48/00/81/446480081.db2.gz WTMRDRRKFQOSLN-DEQVHRJGSA-N 2 1 349.456 1.309 20 0 EDADMP COC(=O)c1ccsc1N1CC[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000420315259 446480088 /nfs/dbraw/zinc/48/00/88/446480088.db2.gz WTMRDRRKFQOSLN-DEQVHRJGSA-N 2 1 349.456 1.309 20 0 EDADMP CC[C@H](CNC(=O)[C@@]1(COC)CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000423326925 446488894 /nfs/dbraw/zinc/48/88/94/446488894.db2.gz MNVYITAVVRPXKW-QUCCMNQESA-N 2 1 345.487 1.566 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420325733 446493836 /nfs/dbraw/zinc/49/38/36/446493836.db2.gz BSDXMAUOFMKLFT-KURKYZTESA-N 2 1 345.487 1.810 20 0 EDADMP COC(=O)c1cc(C)nc(N2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)n1 ZINC000376449686 446503797 /nfs/dbraw/zinc/50/37/97/446503797.db2.gz NOWREIUPTORUFU-CQSZACIVSA-N 2 1 347.463 1.176 20 0 EDADMP COC(=O)c1cc(C)nc(N2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)n1 ZINC000376449686 446503803 /nfs/dbraw/zinc/50/38/03/446503803.db2.gz NOWREIUPTORUFU-CQSZACIVSA-N 2 1 347.463 1.176 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)C[C@@H]1Cc1ccccc1 ZINC000418342230 446507589 /nfs/dbraw/zinc/50/75/89/446507589.db2.gz PXFAZQQDCMSHEC-MSOLQXFVSA-N 2 1 330.476 1.554 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)C[C@@H]1Cc1ccccc1 ZINC000418342230 446507595 /nfs/dbraw/zinc/50/75/95/446507595.db2.gz PXFAZQQDCMSHEC-MSOLQXFVSA-N 2 1 330.476 1.554 20 0 EDADMP C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337388 446507754 /nfs/dbraw/zinc/50/77/54/446507754.db2.gz WVDSOTAZUHITFA-UONOGXRCSA-N 2 1 335.423 1.840 20 0 EDADMP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337388 446507758 /nfs/dbraw/zinc/50/77/58/446507758.db2.gz WVDSOTAZUHITFA-UONOGXRCSA-N 2 1 335.423 1.840 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC[N@@H+]1CCOC ZINC000423383541 446511943 /nfs/dbraw/zinc/51/19/43/446511943.db2.gz JMQVVCPWTNSNDW-IRXDYDNUSA-N 2 1 325.497 1.853 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC[N@H+]1CCOC ZINC000423383541 446511950 /nfs/dbraw/zinc/51/19/50/446511950.db2.gz JMQVVCPWTNSNDW-IRXDYDNUSA-N 2 1 325.497 1.853 20 0 EDADMP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328415 446497854 /nfs/dbraw/zinc/49/78/54/446497854.db2.gz MLDZKHBEZRVJJK-VVLHAWIVSA-N 2 1 337.508 1.567 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356758 446498714 /nfs/dbraw/zinc/49/87/14/446498714.db2.gz KJQKPIZJGUFLOI-ZIAGYGMSSA-N 2 1 325.478 1.744 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@H]1C ZINC000376442265 446500925 /nfs/dbraw/zinc/50/09/25/446500925.db2.gz MOZVUXWGDKQRHH-KLAILNCOSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@H]1C ZINC000376442265 446500932 /nfs/dbraw/zinc/50/09/32/446500932.db2.gz MOZVUXWGDKQRHH-KLAILNCOSA-N 2 1 338.496 1.365 20 0 EDADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000423516065 446558020 /nfs/dbraw/zinc/55/80/20/446558020.db2.gz NJAWGSHMSLTCCA-HZPDHXFCSA-N 2 1 349.479 1.014 20 0 EDADMP CC1CCC(N(C(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C2CC2)CC1 ZINC000420346283 446518807 /nfs/dbraw/zinc/51/88/07/446518807.db2.gz CQEIIBLGRIKITO-FAFZWHIHSA-N 2 1 348.535 1.536 20 0 EDADMP Cn1cc([C@H]2[C@@H](CNC(=O)CCn3ccnc3)CCC[N@H+]2C)cn1 ZINC000370920105 446521351 /nfs/dbraw/zinc/52/13/51/446521351.db2.gz ZAHIDXYQRJYXNA-RHSMWYFYSA-N 2 1 330.436 1.206 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000418382516 446523027 /nfs/dbraw/zinc/52/30/27/446523027.db2.gz IECRSJYTAFYCRX-KSZLIROESA-N 2 1 348.491 1.152 20 0 EDADMP Fc1ccc(-n2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420348278 446523067 /nfs/dbraw/zinc/52/30/67/446523067.db2.gz KMQQLHHTXIRQTC-SFHVURJKSA-N 2 1 329.423 1.491 20 0 EDADMP Fc1ccc(-n2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420348278 446523073 /nfs/dbraw/zinc/52/30/73/446523073.db2.gz KMQQLHHTXIRQTC-SFHVURJKSA-N 2 1 329.423 1.491 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418387979 446525114 /nfs/dbraw/zinc/52/51/14/446525114.db2.gz UPWLTOOCVRXAJZ-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350742 446530286 /nfs/dbraw/zinc/53/02/86/446530286.db2.gz USAIDTMDHDHUQC-CZUORRHYSA-N 2 1 336.867 1.647 20 0 EDADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350742 446530290 /nfs/dbraw/zinc/53/02/90/446530290.db2.gz USAIDTMDHDHUQC-CZUORRHYSA-N 2 1 336.867 1.647 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1C ZINC000420353833 446533364 /nfs/dbraw/zinc/53/33/64/446533364.db2.gz CDAAQKGRBHDLIO-OAHLLOKOSA-N 2 1 332.448 1.929 20 0 EDADMP O=C(CC[N@H+]1CCO[C@@H](CCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000420360223 446539513 /nfs/dbraw/zinc/53/95/13/446539513.db2.gz LQDMEKJDJFHFLF-SFHVURJKSA-N 2 1 331.460 1.142 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418431541 446541874 /nfs/dbraw/zinc/54/18/74/446541874.db2.gz RBOBOAIDLBPWLP-UHFFFAOYSA-N 2 1 328.501 1.504 20 0 EDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000420363723 446544119 /nfs/dbraw/zinc/54/41/19/446544119.db2.gz CDKACFVJYJWDOC-ILXRZTDVSA-N 2 1 326.485 1.987 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)NCCC3CCCCC3)C2)nn1 ZINC000420375593 446552520 /nfs/dbraw/zinc/55/25/20/446552520.db2.gz IYRYQWCXTADDTB-QGZVFWFLSA-N 2 1 348.495 1.460 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)NCCC3CCCCC3)C2)nn1 ZINC000420375593 446552530 /nfs/dbraw/zinc/55/25/30/446552530.db2.gz IYRYQWCXTADDTB-QGZVFWFLSA-N 2 1 348.495 1.460 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC[N@H+]1CCOC ZINC000418460729 446552653 /nfs/dbraw/zinc/55/26/53/446552653.db2.gz KIHHZXJWPJNPHX-OAGGEKHMSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000418469240 446554773 /nfs/dbraw/zinc/55/47/73/446554773.db2.gz UAEFWMXNWKKZIF-ZNMIVQPWSA-N 2 1 334.464 1.303 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC000418603733 446611639 /nfs/dbraw/zinc/61/16/39/446611639.db2.gz OBCUDUDIVRILPA-BPQIPLTHSA-N 2 1 330.476 1.695 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC000418603733 446611648 /nfs/dbraw/zinc/61/16/48/446611648.db2.gz OBCUDUDIVRILPA-BPQIPLTHSA-N 2 1 330.476 1.695 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000418511317 446573576 /nfs/dbraw/zinc/57/35/76/446573576.db2.gz REEBOJFBDVLSIO-UHFFFAOYSA-N 2 1 336.436 1.179 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420399807 446573724 /nfs/dbraw/zinc/57/37/24/446573724.db2.gz OJPKEXHCSJKTDQ-IEBWSBKVSA-N 2 1 345.487 1.913 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420399807 446573726 /nfs/dbraw/zinc/57/37/26/446573726.db2.gz OJPKEXHCSJKTDQ-IEBWSBKVSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420400913 446573838 /nfs/dbraw/zinc/57/38/38/446573838.db2.gz IVGQLQYEJDAUNC-AIANPOQGSA-N 2 1 331.460 1.932 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420400913 446573840 /nfs/dbraw/zinc/57/38/40/446573840.db2.gz IVGQLQYEJDAUNC-AIANPOQGSA-N 2 1 331.460 1.932 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)NCCCN(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000420404594 446578767 /nfs/dbraw/zinc/57/87/67/446578767.db2.gz MHNSJSJSWGMTSD-DLBZAZTESA-N 2 1 332.492 1.546 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000420404594 446578771 /nfs/dbraw/zinc/57/87/71/446578771.db2.gz MHNSJSJSWGMTSD-DLBZAZTESA-N 2 1 332.492 1.546 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)CC1 ZINC000418523601 446580170 /nfs/dbraw/zinc/58/01/70/446580170.db2.gz LZJOYWSIFBLIFT-QGZVFWFLSA-N 2 1 340.512 1.376 20 0 EDADMP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420407941 446581660 /nfs/dbraw/zinc/58/16/60/446581660.db2.gz VAULHRQAIPYZEE-CYBMUJFWSA-N 2 1 328.416 1.347 20 0 EDADMP [NH3+]C1(CNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCC1 ZINC000418530865 446583572 /nfs/dbraw/zinc/58/35/72/446583572.db2.gz WBCVARCUSRBOTM-UHFFFAOYSA-N 2 1 334.439 1.924 20 0 EDADMP [NH3+]C1(CNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCC1 ZINC000418530865 446583579 /nfs/dbraw/zinc/58/35/79/446583579.db2.gz WBCVARCUSRBOTM-UHFFFAOYSA-N 2 1 334.439 1.924 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418532431 446583830 /nfs/dbraw/zinc/58/38/30/446583830.db2.gz SVDVJZFUBXBUPF-SOUVJXGZSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N(C)CCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000420417249 446591583 /nfs/dbraw/zinc/59/15/83/446591583.db2.gz WCIJYKJBQWBPBD-SJORKVTESA-N 2 1 333.476 1.831 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000420417249 446591586 /nfs/dbraw/zinc/59/15/86/446591586.db2.gz WCIJYKJBQWBPBD-SJORKVTESA-N 2 1 333.476 1.831 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)[C@@H](C)C1 ZINC000411553737 446599488 /nfs/dbraw/zinc/59/94/88/446599488.db2.gz RWZJXATVNCJSJB-BBWFWOEESA-N 2 1 341.496 1.008 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)[C@@H](C)C1 ZINC000411553737 446599497 /nfs/dbraw/zinc/59/94/97/446599497.db2.gz RWZJXATVNCJSJB-BBWFWOEESA-N 2 1 341.496 1.008 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418574088 446601098 /nfs/dbraw/zinc/60/10/98/446601098.db2.gz LUGDFPAIJAJDLX-GVDBMIGSSA-N 3 1 339.528 1.042 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000367919601 446608961 /nfs/dbraw/zinc/60/89/61/446608961.db2.gz ZRXYTJWKGWUVHN-SZMVWBNQSA-N 2 1 335.492 1.620 20 0 EDADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418601195 446609658 /nfs/dbraw/zinc/60/96/58/446609658.db2.gz UEBLWKMWWIYBOI-GDAAHCPNSA-N 2 1 342.487 1.758 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CCC[N@@H+]1C ZINC000434366482 446643871 /nfs/dbraw/zinc/64/38/71/446643871.db2.gz HFORDKLDBHCFPZ-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CCC[N@H+]1C ZINC000434366482 446643883 /nfs/dbraw/zinc/64/38/83/446643883.db2.gz HFORDKLDBHCFPZ-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CCC[NH+]1C ZINC000434366482 446643888 /nfs/dbraw/zinc/64/38/88/446643888.db2.gz HFORDKLDBHCFPZ-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CCC[NH+]1C ZINC000434366482 446643895 /nfs/dbraw/zinc/64/38/95/446643895.db2.gz HFORDKLDBHCFPZ-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)C2)C1 ZINC000418690856 446649040 /nfs/dbraw/zinc/64/90/40/446649040.db2.gz XJEOKNWFEIIOFL-YQVWRLOYSA-N 2 1 328.460 1.479 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000418692850 446649918 /nfs/dbraw/zinc/64/99/18/446649918.db2.gz GGQGOFNGQXOJHA-VXGBXAGGSA-N 2 1 340.390 1.018 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000368116052 446650741 /nfs/dbraw/zinc/65/07/41/446650741.db2.gz RWKABDJHLLVHFM-RYQLBKOJSA-N 2 1 336.524 1.012 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC1CC2 ZINC000375227152 446655821 /nfs/dbraw/zinc/65/58/21/446655821.db2.gz KTNYBNZEUOFJJB-GOSISDBHSA-N 2 1 342.487 1.998 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000423721741 446659790 /nfs/dbraw/zinc/65/97/90/446659790.db2.gz FSYYHOBQNGELOA-LJQANCHMSA-N 2 1 331.460 1.729 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@H+]1CCOC ZINC000418743345 446664720 /nfs/dbraw/zinc/66/47/20/446664720.db2.gz CXWMXUJHDZQVBS-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP O=C(NCCC[C@H]1CCC[NH2+]1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000418744152 446665308 /nfs/dbraw/zinc/66/53/08/446665308.db2.gz DXXRUDNEPZKSHZ-IAGOWNOFSA-N 2 1 338.496 1.415 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000423734892 446667422 /nfs/dbraw/zinc/66/74/22/446667422.db2.gz BMMPFTRDAZCJBB-NLWGTHIKSA-N 2 1 348.535 1.395 20 0 EDADMP COC[C@]1(CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCC[NH2+]1 ZINC000418627393 446620646 /nfs/dbraw/zinc/62/06/46/446620646.db2.gz AYOXISSYEIJXDU-DOTOQJQBSA-N 2 1 326.485 1.271 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418628074 446622209 /nfs/dbraw/zinc/62/22/09/446622209.db2.gz OMPUIVGKZYQCTB-APWZRJJASA-N 2 1 330.476 1.902 20 0 EDADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000371251974 446716369 /nfs/dbraw/zinc/71/63/69/446716369.db2.gz RSUBKGGFKYBJGW-HOTGVXAUSA-N 2 1 348.491 1.929 20 0 EDADMP COCC[NH2+]CC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423894610 446747908 /nfs/dbraw/zinc/74/79/08/446747908.db2.gz DZAFLQVEJARILV-SJLPKXTDSA-N 2 1 333.476 1.639 20 0 EDADMP COc1c(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C)nn1C ZINC000371326383 446777262 /nfs/dbraw/zinc/77/72/62/446777262.db2.gz IQNJJJCKVLRUGP-MRXNPFEDSA-N 2 1 335.496 1.337 20 0 EDADMP COc1c(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C)nn1C ZINC000371326383 446777269 /nfs/dbraw/zinc/77/72/69/446777269.db2.gz IQNJJJCKVLRUGP-MRXNPFEDSA-N 2 1 335.496 1.337 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000423927304 446778669 /nfs/dbraw/zinc/77/86/69/446778669.db2.gz FTGLXFOHRSVPJC-NBOOPKSLSA-N 2 1 347.507 1.779 20 0 EDADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000423934863 446787033 /nfs/dbraw/zinc/78/70/33/446787033.db2.gz XBBGPJIAUXKYFD-RDGPPVDQSA-N 2 1 345.487 1.953 20 0 EDADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000423934863 446787044 /nfs/dbraw/zinc/78/70/44/446787044.db2.gz XBBGPJIAUXKYFD-RDGPPVDQSA-N 2 1 345.487 1.953 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C[NH3+] ZINC000423997635 446815689 /nfs/dbraw/zinc/81/56/89/446815689.db2.gz ACHQBMICBFRUNL-NJAFHUGGSA-N 2 1 331.460 1.331 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C[NH3+] ZINC000423997635 446815692 /nfs/dbraw/zinc/81/56/92/446815692.db2.gz ACHQBMICBFRUNL-NJAFHUGGSA-N 2 1 331.460 1.331 20 0 EDADMP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000418945044 446817752 /nfs/dbraw/zinc/81/77/52/446817752.db2.gz KYOFBUVEQQJHRS-OAHLLOKOSA-N 2 1 348.491 1.066 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424035666 446826953 /nfs/dbraw/zinc/82/69/53/446826953.db2.gz FUIBAVCGATVVOF-DOTOQJQBSA-N 2 1 332.492 1.470 20 0 EDADMP [NH3+]C1(CNC(=O)[C@@H]2CCCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000424038061 446829101 /nfs/dbraw/zinc/82/91/01/446829101.db2.gz LDPJXVHGIRRWJR-KRWDZBQOSA-N 2 1 330.476 1.238 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H](C)[N@@H+]1C ZINC000454525801 446899166 /nfs/dbraw/zinc/89/91/66/446899166.db2.gz QWKXAOUZZQOQCA-OWCLPIDISA-N 2 1 338.496 1.221 20 0 EDADMP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[N@H+]1CCCC[C@H]1C ZINC000424127002 446858247 /nfs/dbraw/zinc/85/82/47/446858247.db2.gz CMFYYTATHRTTKF-KFWWJZLASA-N 2 1 334.468 1.195 20 0 EDADMP C[N@H+]([C@@H]1Cc2ccccc2[C@H]1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371473188 446878957 /nfs/dbraw/zinc/87/89/57/446878957.db2.gz LXBJHDKPZBSEGF-DFQSSKMNSA-N 2 1 329.488 1.745 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC1CCCCC1)C2 ZINC000371489888 446887983 /nfs/dbraw/zinc/88/79/83/446887983.db2.gz ASVLWTROVGKJSR-UKRRQHHQSA-N 2 1 347.463 1.643 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[NH+](CC2CCC2)CC1)[C@@H]1CCSC1 ZINC000412308210 446928721 /nfs/dbraw/zinc/92/87/21/446928721.db2.gz IVYAZCZXOJSHAE-MRXNPFEDSA-N 2 1 325.522 1.758 20 0 EDADMP C[NH+](CC(=O)N1CCC[N@H+](CC2CCC2)CC1)[C@@H]1CCSC1 ZINC000412308210 446928726 /nfs/dbraw/zinc/92/87/26/446928726.db2.gz IVYAZCZXOJSHAE-MRXNPFEDSA-N 2 1 325.522 1.758 20 0 EDADMP C[NH+](CC(=O)N1CCC[N@@H+](CC2CCC2)CC1)[C@@H]1CCSC1 ZINC000412308210 446928732 /nfs/dbraw/zinc/92/87/32/446928732.db2.gz IVYAZCZXOJSHAE-MRXNPFEDSA-N 2 1 325.522 1.758 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)NCCC[NH3+])cc1 ZINC000419188648 446999605 /nfs/dbraw/zinc/99/96/05/446999605.db2.gz KHTGOVIJHDOKHC-HNNXBMFYSA-N 2 1 346.475 1.142 20 0 EDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000443059845 447002361 /nfs/dbraw/zinc/00/23/61/447002361.db2.gz NMFYKPOPLDBSGN-INIZCTEOSA-N 2 1 330.476 1.226 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)nc(C)[nH+]1 ZINC000368677697 447028869 /nfs/dbraw/zinc/02/88/69/447028869.db2.gz KKNYZHJBBCPHNX-KRWDZBQOSA-N 2 1 339.443 1.951 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)ccn1 ZINC000444629075 447112107 /nfs/dbraw/zinc/11/21/07/447112107.db2.gz JVXXCZWANZPQTC-UHFFFAOYSA-N 2 1 348.491 1.874 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@]3(C)CCO[C@H]3C3CC3)cn2)CC1 ZINC000368762636 447090265 /nfs/dbraw/zinc/09/02/65/447090265.db2.gz AFBNTWCBGYCUJL-PKOBYXMFSA-N 2 1 345.491 1.523 20 0 EDADMP COc1cc2[nH+]ccc(N3CC[N@@H+](CCO)[C@@H](C)C3)c2cc1OC ZINC000413247443 447091546 /nfs/dbraw/zinc/09/15/46/447091546.db2.gz IHVRTTGQTWHUSW-ZDUSSCGKSA-N 2 1 331.416 1.755 20 0 EDADMP CC[C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)[N@H+]1CCc2ccccc2C1 ZINC000444187712 447092462 /nfs/dbraw/zinc/09/24/62/447092462.db2.gz SNLGJCFGIITIDH-GGPKGHCWSA-N 2 1 327.472 1.939 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)c3ccccc3F)C2)CC1 ZINC000375908119 447138325 /nfs/dbraw/zinc/13/83/25/447138325.db2.gz VEIIXNADZNXVBE-QFBILLFUSA-N 2 1 335.467 1.959 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000419402200 447152585 /nfs/dbraw/zinc/15/25/85/447152585.db2.gz BTYILKCCTVQOOK-ZDUSSCGKSA-N 2 1 340.493 1.101 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC000377487978 447159511 /nfs/dbraw/zinc/15/95/11/447159511.db2.gz KMGMRNTUKPIIND-BBWFWOEESA-N 2 1 346.475 1.760 20 0 EDADMP CC[C@H](C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC000413303400 447127507 /nfs/dbraw/zinc/12/75/07/447127507.db2.gz QCBPPDSNPREPFL-NVXWUHKLSA-N 2 1 346.475 1.663 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000455623596 447188578 /nfs/dbraw/zinc/18/85/78/447188578.db2.gz VVOZXWIOXHPSMF-QGZVFWFLSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000455623596 447188584 /nfs/dbraw/zinc/18/85/84/447188584.db2.gz VVOZXWIOXHPSMF-QGZVFWFLSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000455623596 447188586 /nfs/dbraw/zinc/18/85/86/447188586.db2.gz VVOZXWIOXHPSMF-QGZVFWFLSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455659296 447201019 /nfs/dbraw/zinc/20/10/19/447201019.db2.gz PMIKSGJCEZSORV-OAHLLOKOSA-N 2 1 336.484 1.687 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1noc(C)c1C ZINC000455676473 447207759 /nfs/dbraw/zinc/20/77/59/447207759.db2.gz UQTLCLZCHBVBET-HNNXBMFYSA-N 2 1 337.468 2.171 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)C1 ZINC000368986743 447249156 /nfs/dbraw/zinc/24/91/56/447249156.db2.gz LCADBMTUBFGWBS-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419482619 447215190 /nfs/dbraw/zinc/21/51/90/447215190.db2.gz QNLHUNZSUKKEED-OAHLLOKOSA-N 2 1 340.512 1.201 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419485372 447216316 /nfs/dbraw/zinc/21/63/16/447216316.db2.gz VIWDQINWIGWDAH-HZPDHXFCSA-N 2 1 338.496 1.016 20 0 EDADMP COC(=O)c1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1C ZINC000377626877 447255091 /nfs/dbraw/zinc/25/50/91/447255091.db2.gz LADIRZOQIHTQMX-QGZVFWFLSA-N 2 1 348.491 1.412 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1C ZINC000377626877 447255096 /nfs/dbraw/zinc/25/50/96/447255096.db2.gz LADIRZOQIHTQMX-QGZVFWFLSA-N 2 1 348.491 1.412 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C ZINC000419511227 447235034 /nfs/dbraw/zinc/23/50/34/447235034.db2.gz HWBVUKDLGVVKFG-OWCLPIDISA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419511227 447235039 /nfs/dbraw/zinc/23/50/39/447235039.db2.gz HWBVUKDLGVVKFG-OWCLPIDISA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419511227 447235044 /nfs/dbraw/zinc/23/50/44/447235044.db2.gz HWBVUKDLGVVKFG-OWCLPIDISA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419528089 447243394 /nfs/dbraw/zinc/24/33/94/447243394.db2.gz WAXRSGHZUQVDHX-OAHLLOKOSA-N 2 1 340.512 1.262 20 0 EDADMP COC(=O)[C@H]1C[C@H](NC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000376085559 447259062 /nfs/dbraw/zinc/25/90/62/447259062.db2.gz WKCNSDZPFLGWFU-UONOGXRCSA-N 2 1 341.452 1.221 20 0 EDADMP COCCOC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000450323553 447454887 /nfs/dbraw/zinc/45/48/87/447454887.db2.gz ISIXKCCSNZDCTP-ROUUACIJSA-N 2 1 328.497 1.454 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NCC(C)(C)[NH3+])ccc1Cl ZINC000415467306 447459024 /nfs/dbraw/zinc/45/90/24/447459024.db2.gz URVGHUBLGUEJKW-UHFFFAOYSA-N 2 1 326.828 1.194 20 0 EDADMP Cn1ccnc1[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000458779758 447476344 /nfs/dbraw/zinc/47/63/44/447476344.db2.gz UMOZLAXQUWFLOW-LSDHHAIUSA-N 2 1 335.452 1.017 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000450428136 447486907 /nfs/dbraw/zinc/48/69/07/447486907.db2.gz HDFQVKIHOJQYDB-QGZVFWFLSA-N 2 1 346.523 1.928 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000450428136 447486911 /nfs/dbraw/zinc/48/69/11/447486911.db2.gz HDFQVKIHOJQYDB-QGZVFWFLSA-N 2 1 346.523 1.928 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000450428135 447487032 /nfs/dbraw/zinc/48/70/32/447487032.db2.gz HDFQVKIHOJQYDB-KRWDZBQOSA-N 2 1 346.523 1.928 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000450428135 447487036 /nfs/dbraw/zinc/48/70/36/447487036.db2.gz HDFQVKIHOJQYDB-KRWDZBQOSA-N 2 1 346.523 1.928 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000458837556 447487169 /nfs/dbraw/zinc/48/71/69/447487169.db2.gz GNXZQSPVIXSQBK-UHFFFAOYSA-N 2 1 326.485 1.226 20 0 EDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCCC[NH2+]1 ZINC000391033975 447510256 /nfs/dbraw/zinc/51/02/56/447510256.db2.gz XVSYBLXBBKIQLE-OALUTQOASA-N 2 1 345.487 1.926 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495759749 447580581 /nfs/dbraw/zinc/58/05/81/447580581.db2.gz DHEXPOQZPBNXTL-HNNXBMFYSA-N 2 1 329.485 1.944 20 0 EDADMP CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1ccco1 ZINC000457437989 447581624 /nfs/dbraw/zinc/58/16/24/447581624.db2.gz INEJLCANPYJTCQ-LSDHHAIUSA-N 2 1 338.452 1.028 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccco1 ZINC000457437989 447581628 /nfs/dbraw/zinc/58/16/28/447581628.db2.gz INEJLCANPYJTCQ-LSDHHAIUSA-N 2 1 338.452 1.028 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000457524939 447587174 /nfs/dbraw/zinc/58/71/74/447587174.db2.gz RGEGZQJHABNPLX-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416206660 447537426 /nfs/dbraw/zinc/53/74/26/447537426.db2.gz BFNRVBZFBNUICG-LPHOPBHVSA-N 2 1 347.503 1.983 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000459064826 447559459 /nfs/dbraw/zinc/55/94/59/447559459.db2.gz SMYIYRFTPLBZSO-MQVJKMGUSA-N 2 1 338.496 1.364 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000459064826 447559463 /nfs/dbraw/zinc/55/94/63/447559463.db2.gz SMYIYRFTPLBZSO-MQVJKMGUSA-N 2 1 338.496 1.364 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459064826 447559465 /nfs/dbraw/zinc/55/94/65/447559465.db2.gz SMYIYRFTPLBZSO-MQVJKMGUSA-N 2 1 338.496 1.364 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459064826 447559468 /nfs/dbraw/zinc/55/94/68/447559468.db2.gz SMYIYRFTPLBZSO-MQVJKMGUSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000457387056 447570874 /nfs/dbraw/zinc/57/08/74/447570874.db2.gz JWGIUJZWISIIQT-ZDUSSCGKSA-N 2 1 326.485 1.004 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000457387056 447570879 /nfs/dbraw/zinc/57/08/79/447570879.db2.gz JWGIUJZWISIIQT-ZDUSSCGKSA-N 2 1 326.485 1.004 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCN1CC[NH2+]CC1 ZINC000404317330 447600279 /nfs/dbraw/zinc/60/02/79/447600279.db2.gz HTPJPYKCLKICCK-IPMKNSEASA-N 2 1 330.520 1.875 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](CCN2CC[NH2+]CC2)C[C@H](C)N1Cc1ccccc1 ZINC000404317330 447600283 /nfs/dbraw/zinc/60/02/83/447600283.db2.gz HTPJPYKCLKICCK-IPMKNSEASA-N 2 1 330.520 1.875 20 0 EDADMP C[C@@H]1[C@@H](C)[N@H+](CCN2CC[NH2+]CC2)C[C@H](C)N1Cc1ccccc1 ZINC000404317330 447600291 /nfs/dbraw/zinc/60/02/91/447600291.db2.gz HTPJPYKCLKICCK-IPMKNSEASA-N 2 1 330.520 1.875 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459265775 447627676 /nfs/dbraw/zinc/62/76/76/447627676.db2.gz OJOMSYVKRMNRNT-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459265775 447627682 /nfs/dbraw/zinc/62/76/82/447627682.db2.gz OJOMSYVKRMNRNT-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000496044448 447697606 /nfs/dbraw/zinc/69/76/06/447697606.db2.gz QHHFYZVBAUJTQM-UHFFFAOYSA-N 2 1 341.496 1.944 20 0 EDADMP COc1ccccc1CN(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422632978 447680101 /nfs/dbraw/zinc/68/01/01/447680101.db2.gz HORKEKBJUIFKAU-UXLLHSPISA-N 2 1 333.476 1.959 20 0 EDADMP COc1ccccc1CN(C)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422632978 447680107 /nfs/dbraw/zinc/68/01/07/447680107.db2.gz HORKEKBJUIFKAU-UXLLHSPISA-N 2 1 333.476 1.959 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000416940869 447716860 /nfs/dbraw/zinc/71/68/60/447716860.db2.gz JJFZPXUVPGPDJE-OWCLPIDISA-N 2 1 340.512 1.563 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CN[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422719311 447727468 /nfs/dbraw/zinc/72/74/68/447727468.db2.gz YKJZZSCCNZPVBO-LPHOPBHVSA-N 2 1 335.492 1.731 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000422747393 447737134 /nfs/dbraw/zinc/73/71/34/447737134.db2.gz QCDLJPPUPDVVEJ-RRFJBIMHSA-N 2 1 341.377 1.775 20 0 EDADMP CN(c1ccccc1C[N@H+]1C[C@H](O)[C@H](CO)C1)C1CC[NH+](C)CC1 ZINC000459711182 447749068 /nfs/dbraw/zinc/74/90/68/447749068.db2.gz QSENWFVHOKWVTI-LPHOPBHVSA-N 2 1 333.476 1.002 20 0 EDADMP CN(C[C@](C)(O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496535933 447811888 /nfs/dbraw/zinc/81/18/88/447811888.db2.gz UEODFDANHAKHJT-ZWKOTPCHSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@](C)(O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496535933 447811891 /nfs/dbraw/zinc/81/18/91/447811891.db2.gz UEODFDANHAKHJT-ZWKOTPCHSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@](C)(O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496535933 447811892 /nfs/dbraw/zinc/81/18/92/447811892.db2.gz UEODFDANHAKHJT-ZWKOTPCHSA-N 2 1 341.496 1.632 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000496539075 447812664 /nfs/dbraw/zinc/81/26/64/447812664.db2.gz JPWMPJAWVLMIIG-CYBMUJFWSA-N 2 1 327.473 1.499 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC[C@H]3C[NH3+])CC2)c1 ZINC000430554503 447777198 /nfs/dbraw/zinc/77/71/98/447777198.db2.gz VMWNLTNXAYXOLO-SFHVURJKSA-N 2 1 330.476 1.062 20 0 EDADMP [NH3+]CCCOC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000430566647 447780467 /nfs/dbraw/zinc/78/04/67/447780467.db2.gz HNWMMXZKLFFCRO-SFHVURJKSA-N 2 1 349.450 1.975 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471651249 447807233 /nfs/dbraw/zinc/80/72/33/447807233.db2.gz BFPYRTUYNZEPOH-QGZVFWFLSA-N 2 1 334.464 1.138 20 0 EDADMP Brc1cnn(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423112570 447807649 /nfs/dbraw/zinc/80/76/49/447807649.db2.gz RZZPYBCKCNRGEN-BFHYXJOUSA-N 2 1 343.269 1.392 20 0 EDADMP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000569677218 447863554 /nfs/dbraw/zinc/86/35/54/447863554.db2.gz BBQYIQZVVXPALL-DOTOQJQBSA-N 2 1 331.464 1.469 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000569677218 447863561 /nfs/dbraw/zinc/86/35/61/447863561.db2.gz BBQYIQZVVXPALL-DOTOQJQBSA-N 2 1 331.464 1.469 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000479684679 447824160 /nfs/dbraw/zinc/82/41/60/447824160.db2.gz JMTXFUPCHBTXKM-INIZCTEOSA-N 2 1 326.485 1.272 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1cccc2[nH]ccc21 ZINC000569693660 447870126 /nfs/dbraw/zinc/87/01/26/447870126.db2.gz WXGQTEHKIAROBU-JKSUJKDBSA-N 2 1 347.459 1.344 20 0 EDADMP CC(C)[NH+](CCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000530813978 447961935 /nfs/dbraw/zinc/96/19/35/447961935.db2.gz ZZYOKFWRJNEEBO-HXUWFJFHSA-N 2 1 347.503 1.858 20 0 EDADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H]1c1cccs1 ZINC000575862092 447914462 /nfs/dbraw/zinc/91/44/62/447914462.db2.gz SOMJDULUOOORNK-VYDXJSESSA-N 2 1 334.489 1.978 20 0 EDADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H]1c1cccs1 ZINC000575862092 447914469 /nfs/dbraw/zinc/91/44/69/447914469.db2.gz SOMJDULUOOORNK-VYDXJSESSA-N 2 1 334.489 1.978 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000525369748 447997176 /nfs/dbraw/zinc/99/71/76/447997176.db2.gz FZIFGELUAAZGSV-WBVHZDCISA-N 2 1 325.497 1.626 20 0 EDADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253177 448007467 /nfs/dbraw/zinc/00/74/67/448007467.db2.gz POEGLAKQWXPCGS-SJORKVTESA-N 2 1 327.469 1.290 20 0 EDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253177 448007472 /nfs/dbraw/zinc/00/74/72/448007472.db2.gz POEGLAKQWXPCGS-SJORKVTESA-N 2 1 327.469 1.290 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253177 448007474 /nfs/dbraw/zinc/00/74/74/448007474.db2.gz POEGLAKQWXPCGS-SJORKVTESA-N 2 1 327.469 1.290 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253177 448007479 /nfs/dbraw/zinc/00/74/79/448007479.db2.gz POEGLAKQWXPCGS-SJORKVTESA-N 2 1 327.469 1.290 20 0 EDADMP CN1C[C@@H]([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1=O ZINC000570407943 448007541 /nfs/dbraw/zinc/00/75/41/448007541.db2.gz QDEWHUKUKOPUDP-SFHVURJKSA-N 2 1 331.460 1.571 20 0 EDADMP CN1C[C@@H]([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1=O ZINC000570407943 448007545 /nfs/dbraw/zinc/00/75/45/448007545.db2.gz QDEWHUKUKOPUDP-SFHVURJKSA-N 2 1 331.460 1.571 20 0 EDADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)ccc21 ZINC000570902896 448080474 /nfs/dbraw/zinc/08/04/74/448080474.db2.gz CFBUIIFKRAORHH-QZTJIDSGSA-N 2 1 328.460 1.564 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000571059703 448103482 /nfs/dbraw/zinc/10/34/82/448103482.db2.gz RRFJKDRNRFJZRP-SJORKVTESA-N 2 1 338.496 1.128 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000526975562 448129035 /nfs/dbraw/zinc/12/90/35/448129035.db2.gz SJQCQMAXRUVZFA-CQSZACIVSA-N 2 1 345.447 1.159 20 0 EDADMP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[N@@H+](C)C1CC1 ZINC000531770779 448141137 /nfs/dbraw/zinc/14/11/37/448141137.db2.gz FKPJQILJSMCHED-KBRIMQKVSA-N 2 1 338.496 1.146 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCCO1 ZINC000571626101 448181086 /nfs/dbraw/zinc/18/10/86/448181086.db2.gz SPOJXRZVMXUSFQ-WMZOPIPTSA-N 2 1 338.496 1.272 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+]1CCCC1 ZINC000591095044 448259664 /nfs/dbraw/zinc/25/96/64/448259664.db2.gz ULLKMCOTDFCZLI-NVXWUHKLSA-N 2 1 331.460 1.900 20 0 EDADMP COc1ccc(CN2CC[C@H]2CNC(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000527798657 448362672 /nfs/dbraw/zinc/36/26/72/448362672.db2.gz RCBYXFPLVMVIDF-SJORKVTESA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NC[C@H]2CCC[NH+]2C)cc1 ZINC000527798657 448362678 /nfs/dbraw/zinc/36/26/78/448362678.db2.gz RCBYXFPLVMVIDF-SJORKVTESA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000527798657 448362688 /nfs/dbraw/zinc/36/26/88/448362688.db2.gz RCBYXFPLVMVIDF-SJORKVTESA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000527798657 448362696 /nfs/dbraw/zinc/36/26/96/448362696.db2.gz RCBYXFPLVMVIDF-SJORKVTESA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(CN2CC[C@@H]2CNC(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000527798650 448364107 /nfs/dbraw/zinc/36/41/07/448364107.db2.gz RCBYXFPLVMVIDF-DLBZAZTESA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NC[C@@H]2CCC[NH+]2C)cc1 ZINC000527798650 448364115 /nfs/dbraw/zinc/36/41/15/448364115.db2.gz RCBYXFPLVMVIDF-DLBZAZTESA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000527798650 448364128 /nfs/dbraw/zinc/36/41/28/448364128.db2.gz RCBYXFPLVMVIDF-DLBZAZTESA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000527798650 448364133 /nfs/dbraw/zinc/36/41/33/448364133.db2.gz RCBYXFPLVMVIDF-DLBZAZTESA-N 2 1 346.475 1.663 20 0 EDADMP C[C@@H](CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[N@@H+](C)C1CC1 ZINC000527811444 448366321 /nfs/dbraw/zinc/36/63/21/448366321.db2.gz ZJGOCEJHJQBDID-HNNXBMFYSA-N 2 1 338.496 1.365 20 0 EDADMP O=C1N[C@H]2C[N@@H+](CCOc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000516168801 448390267 /nfs/dbraw/zinc/39/02/67/448390267.db2.gz GGWLYQLJJBVGEY-ROUUACIJSA-N 2 1 344.459 1.286 20 0 EDADMP C[C@@H](NC(=O)C[NH2+]CC1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566185507 448408978 /nfs/dbraw/zinc/40/89/78/448408978.db2.gz JHUTYTDEYZDARR-CRAIPNDOSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H](NC(=O)C[NH2+]CC1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566185507 448408981 /nfs/dbraw/zinc/40/89/81/448408981.db2.gz JHUTYTDEYZDARR-CRAIPNDOSA-N 2 1 331.460 1.392 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1)[C@H]1CCC[NH2+]1 ZINC000566230581 448422377 /nfs/dbraw/zinc/42/23/77/448422377.db2.gz CFISGVOHXGZCNZ-MAUKXSAKSA-N 2 1 342.487 1.735 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000533812371 448423786 /nfs/dbraw/zinc/42/37/86/448423786.db2.gz FJRRXXYXNOKPLU-ROUUACIJSA-N 2 1 332.492 1.800 20 0 EDADMP CCC[C@@H]1CN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000572647266 448430649 /nfs/dbraw/zinc/43/06/49/448430649.db2.gz GVDMZXGSGJBPSL-RCCFBDPRSA-N 2 1 339.524 1.972 20 0 EDADMP Cc1noc(C)c1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000516624018 448450142 /nfs/dbraw/zinc/45/01/42/448450142.db2.gz CGNABJPERGWZIB-UHFFFAOYSA-N 2 1 329.404 1.619 20 0 EDADMP C[C@@H](CNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)[N@H+]1CCC[C@H](C)C1 ZINC000578117345 448463506 /nfs/dbraw/zinc/46/35/06/448463506.db2.gz UUKQWAWVOTUWIV-LUKYLMHMSA-N 2 1 338.496 1.269 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC[N@H+]1CCOC ZINC000584400518 448512239 /nfs/dbraw/zinc/51/22/39/448512239.db2.gz RQKLIJAUCRMZOT-KBPBESRZSA-N 2 1 348.438 1.126 20 0 EDADMP CC(C)C[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1)[NH+]1CCOCC1 ZINC000578321222 448514501 /nfs/dbraw/zinc/51/45/01/448514501.db2.gz ZPWJXOZQCLJZJJ-GOSISDBHSA-N 2 1 348.491 1.691 20 0 EDADMP C[C@@H](NC(=O)N1CCC([NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566667992 448531883 /nfs/dbraw/zinc/53/18/83/448531883.db2.gz FQGCEMDXMKZKPU-QAPCUYQASA-N 2 1 346.475 1.409 20 0 EDADMP C[C@@H](NC(=O)N1CCC([NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566667992 448531888 /nfs/dbraw/zinc/53/18/88/448531888.db2.gz FQGCEMDXMKZKPU-QAPCUYQASA-N 2 1 346.475 1.409 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(O)CCC2)[C@@H](C)C1 ZINC000528455231 448536392 /nfs/dbraw/zinc/53/63/92/448536392.db2.gz DRWACVABHPGFBG-BBWFWOEESA-N 2 1 328.497 1.379 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2cncc(F)c2)CC1 ZINC000538235360 448582671 /nfs/dbraw/zinc/58/26/71/448582671.db2.gz NRFBQXMHXKADGZ-UHFFFAOYSA-N 2 1 343.406 1.939 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528719502 448644282 /nfs/dbraw/zinc/64/42/82/448644282.db2.gz IOEKFYLQOZNQFM-MRXNPFEDSA-N 2 1 348.447 1.401 20 0 EDADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000541369904 448672286 /nfs/dbraw/zinc/67/22/86/448672286.db2.gz VWXWJTQNXBFCOU-CVEARBPZSA-N 2 1 333.480 1.523 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCOCC1 ZINC000518496543 448685332 /nfs/dbraw/zinc/68/53/32/448685332.db2.gz OKDHCBNUPIPZPC-ZACQAIPSSA-N 2 1 338.496 1.127 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000567514300 448707796 /nfs/dbraw/zinc/70/77/96/448707796.db2.gz NXYBEYXWYULDKL-OAHLLOKOSA-N 2 1 341.402 1.378 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000567514300 448707803 /nfs/dbraw/zinc/70/78/03/448707803.db2.gz NXYBEYXWYULDKL-OAHLLOKOSA-N 2 1 341.402 1.378 20 0 EDADMP C[C@H](CCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000518979997 448729095 /nfs/dbraw/zinc/72/90/95/448729095.db2.gz YVHPFAGTXJMBNS-HRCADAONSA-N 2 1 348.491 1.255 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000567677903 448734531 /nfs/dbraw/zinc/73/45/31/448734531.db2.gz DNYRMNIUEJUSAD-KRWDZBQOSA-N 2 1 346.431 1.570 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000573916991 448746734 /nfs/dbraw/zinc/74/67/34/448746734.db2.gz IHUOCMVSZRSEKE-ZNMIVQPWSA-N 2 1 334.468 1.023 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000567821132 448768062 /nfs/dbraw/zinc/76/80/62/448768062.db2.gz VSQMPDBGVVNUDH-VVLHAWIVSA-N 2 1 339.528 1.312 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000529313776 448818038 /nfs/dbraw/zinc/81/80/38/448818038.db2.gz BILDJVPJUKBISG-BBWFWOEESA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529319729 448820625 /nfs/dbraw/zinc/82/06/25/448820625.db2.gz CLZCDLCYGSGBMQ-DOTOQJQBSA-N 2 1 346.475 1.314 20 0 EDADMP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000579598400 448831620 /nfs/dbraw/zinc/83/16/20/448831620.db2.gz DLFAIDSPZDEIKQ-DZGCQCFKSA-N 2 1 328.420 1.172 20 0 EDADMP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000579598400 448831625 /nfs/dbraw/zinc/83/16/25/448831625.db2.gz DLFAIDSPZDEIKQ-DZGCQCFKSA-N 2 1 328.420 1.172 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC[N@H+]1CCOC ZINC000529354867 448838134 /nfs/dbraw/zinc/83/81/34/448838134.db2.gz KMDGHKMSGIZKJY-JKSUJKDBSA-N 2 1 338.496 1.413 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529375573 448847413 /nfs/dbraw/zinc/84/74/13/448847413.db2.gz OLBBRCHCDWVSHG-QZTJIDSGSA-N 2 1 346.475 1.138 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)CCN2C1=O ZINC000568412946 448870023 /nfs/dbraw/zinc/87/00/23/448870023.db2.gz ODWUEDGFLGBMBY-HUUCEWRRSA-N 2 1 345.834 1.474 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)CCN2C1=O ZINC000568412946 448870028 /nfs/dbraw/zinc/87/00/28/448870028.db2.gz ODWUEDGFLGBMBY-HUUCEWRRSA-N 2 1 345.834 1.474 20 0 EDADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000574452491 448877201 /nfs/dbraw/zinc/87/72/01/448877201.db2.gz ACOBTMIMOCIANP-HOTGVXAUSA-N 2 1 342.505 1.308 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)CC[NH2+]C3CC3)CC2)cc1 ZINC000574583519 448909918 /nfs/dbraw/zinc/90/99/18/448909918.db2.gz KBMBGXLRBXHBRI-UHFFFAOYSA-N 2 1 331.460 1.872 20 0 EDADMP C[NH2+][C@@H](C)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000574772126 448954973 /nfs/dbraw/zinc/95/49/73/448954973.db2.gz ZOVCVEGROLKNQD-AWEZNQCLSA-N 2 1 332.448 1.966 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CC[C@H](c3ccccc3F)C2)C1=O ZINC000574806172 448959923 /nfs/dbraw/zinc/95/99/23/448959923.db2.gz WSYRCPSIGYGBTF-YOEHRIQHSA-N 2 1 347.434 1.694 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CC[C@H](c3ccccc3F)C2)C1=O ZINC000574806172 448959926 /nfs/dbraw/zinc/95/99/26/448959926.db2.gz WSYRCPSIGYGBTF-YOEHRIQHSA-N 2 1 347.434 1.694 20 0 EDADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000574904559 448986067 /nfs/dbraw/zinc/98/60/67/448986067.db2.gz DYOWNVYPHMQYRN-YJBOKZPZSA-N 2 1 346.475 1.681 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000575023494 449015444 /nfs/dbraw/zinc/01/54/44/449015444.db2.gz JSSCKCFRJHPGQR-ZFWWWQNUSA-N 2 1 331.464 1.894 20 0 EDADMP CCc1nc(C)c([C@@H](C)N(C)C[C@H](O)C[N@@H+](C)CCOC)s1 ZINC000575076007 449030195 /nfs/dbraw/zinc/03/01/95/449030195.db2.gz VYUIUSLWYINXOS-ZIAGYGMSSA-N 2 1 329.510 1.946 20 0 EDADMP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@H](O)CN(C)CCOC)s1 ZINC000575076007 449030200 /nfs/dbraw/zinc/03/02/00/449030200.db2.gz VYUIUSLWYINXOS-ZIAGYGMSSA-N 2 1 329.510 1.946 20 0 EDADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)CN(C)CCOC)s1 ZINC000575076007 449030205 /nfs/dbraw/zinc/03/02/05/449030205.db2.gz VYUIUSLWYINXOS-ZIAGYGMSSA-N 2 1 329.510 1.946 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592956255 449076340 /nfs/dbraw/zinc/07/63/40/449076340.db2.gz FQOCXHFNAPGCEO-HUUCEWRRSA-N 2 1 347.507 1.960 20 0 EDADMP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000575329508 449079442 /nfs/dbraw/zinc/07/94/42/449079442.db2.gz IXMYOBFJPUULHQ-HOTGVXAUSA-N 2 1 333.476 1.318 20 0 EDADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000575329508 449079446 /nfs/dbraw/zinc/07/94/46/449079446.db2.gz IXMYOBFJPUULHQ-HOTGVXAUSA-N 2 1 333.476 1.318 20 0 EDADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)NC1CC[NH2+]CC1 ZINC000575108961 449037364 /nfs/dbraw/zinc/03/73/64/449037364.db2.gz WDJUIZDKEIADGC-KRWDZBQOSA-N 2 1 348.516 1.655 20 0 EDADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)NC1CC[NH2+]CC1 ZINC000575108961 449037370 /nfs/dbraw/zinc/03/73/70/449037370.db2.gz WDJUIZDKEIADGC-KRWDZBQOSA-N 2 1 348.516 1.655 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000522060295 449048241 /nfs/dbraw/zinc/04/82/41/449048241.db2.gz JZKFJDIOGQIZPD-YJBOKZPZSA-N 2 1 349.479 1.194 20 0 EDADMP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000522147021 449055915 /nfs/dbraw/zinc/05/59/15/449055915.db2.gz LCXGCTUWGWPUMW-IBGZPJMESA-N 2 1 344.503 1.392 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000522147021 449055920 /nfs/dbraw/zinc/05/59/20/449055920.db2.gz LCXGCTUWGWPUMW-IBGZPJMESA-N 2 1 344.503 1.392 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000522147021 449055924 /nfs/dbraw/zinc/05/59/24/449055924.db2.gz LCXGCTUWGWPUMW-IBGZPJMESA-N 2 1 344.503 1.392 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CC1 ZINC000522201061 449062326 /nfs/dbraw/zinc/06/23/26/449062326.db2.gz NDRBEBFDDHFYQT-ZWKOTPCHSA-N 2 1 330.476 1.750 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC[NH2+]C2CC2)c1 ZINC000582311665 449065121 /nfs/dbraw/zinc/06/51/21/449065121.db2.gz TXFWKPBOWJPWMN-MRXNPFEDSA-N 2 1 330.432 1.217 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC[NH2+]C2CC2)c1 ZINC000582311665 449065125 /nfs/dbraw/zinc/06/51/25/449065125.db2.gz TXFWKPBOWJPWMN-MRXNPFEDSA-N 2 1 330.432 1.217 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(CO)ccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000530225094 449088018 /nfs/dbraw/zinc/08/80/18/449088018.db2.gz WOLJUYXPXFALBQ-CRAIPNDOSA-N 2 1 349.450 1.398 20 0 EDADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000575399055 449088236 /nfs/dbraw/zinc/08/82/36/449088236.db2.gz LSLGDMRPUFXUEN-ATLSCFEFSA-N 2 1 330.476 1.886 20 0 EDADMP CSC1(CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC[NH+](C)CC1 ZINC000595634230 449091475 /nfs/dbraw/zinc/09/14/75/449091475.db2.gz GNGSNNLXWONDIH-CQSZACIVSA-N 2 1 342.553 1.986 20 0 EDADMP C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243277 449092305 /nfs/dbraw/zinc/09/23/05/449092305.db2.gz WJYQIIYMVZVPJE-YPMHNXCESA-N 2 1 337.386 1.144 20 0 EDADMP Nc1nc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nc2ccccc12 ZINC000530240806 449092497 /nfs/dbraw/zinc/09/24/97/449092497.db2.gz OAWANTVEXXZCRC-OAHLLOKOSA-N 2 1 341.459 1.803 20 0 EDADMP CCOC(=O)c1cccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000600118039 449200073 /nfs/dbraw/zinc/20/00/73/449200073.db2.gz PPVMIXFUJMNPMV-HNNXBMFYSA-N 2 1 349.475 1.783 20 0 EDADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900397 449242190 /nfs/dbraw/zinc/24/21/90/449242190.db2.gz FDUGLMCEOYJWHP-UKRRQHHQSA-N 2 1 338.496 1.711 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C(=O)OC ZINC000595909689 449248006 /nfs/dbraw/zinc/24/80/06/449248006.db2.gz MQNCFNDTNRIAFE-HWMZRRJGSA-N 2 1 341.496 1.530 20 0 EDADMP CC(C)OC(=O)[C@H](C)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601964640 449248676 /nfs/dbraw/zinc/24/86/76/449248676.db2.gz KBDFBDGNYFRENF-APWZRJJASA-N 2 1 334.460 1.801 20 0 EDADMP CC(C)OC(=O)[C@H](C)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601964640 449248680 /nfs/dbraw/zinc/24/86/80/449248680.db2.gz KBDFBDGNYFRENF-APWZRJJASA-N 2 1 334.460 1.801 20 0 EDADMP O=C(NCC12CCC[NH+]1CCC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000614227245 449515394 /nfs/dbraw/zinc/51/53/94/449515394.db2.gz XFMYGIBELBGMJK-GOSISDBHSA-N 2 1 343.471 1.632 20 0 EDADMP O=C(NCC12CCC[NH+]1CCC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000614227245 449515401 /nfs/dbraw/zinc/51/54/01/449515401.db2.gz XFMYGIBELBGMJK-GOSISDBHSA-N 2 1 343.471 1.632 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)ccn1 ZINC000617346075 449566735 /nfs/dbraw/zinc/56/67/35/449566735.db2.gz NLPUFUCHUFUUIH-OAHLLOKOSA-N 2 1 334.464 1.625 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](OC)C3CCOCC3)C2)CC1 ZINC000602464801 449610820 /nfs/dbraw/zinc/61/08/20/449610820.db2.gz NGRJWWRRCGPCQS-ZWKOTPCHSA-N 2 1 325.497 1.140 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000614446611 449615775 /nfs/dbraw/zinc/61/57/75/449615775.db2.gz SHODDHARENSNMT-SJORKVTESA-N 2 1 339.524 1.801 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)o1 ZINC000607928055 449671327 /nfs/dbraw/zinc/67/13/27/449671327.db2.gz ALKXUHDHFRQNGK-INIZCTEOSA-N 2 1 349.475 1.916 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000607658274 449631079 /nfs/dbraw/zinc/63/10/79/449631079.db2.gz SCFTXBBRRYKZAU-IRXDYDNUSA-N 2 1 330.476 1.265 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000607658274 449631086 /nfs/dbraw/zinc/63/10/86/449631086.db2.gz SCFTXBBRRYKZAU-IRXDYDNUSA-N 2 1 330.476 1.265 20 0 EDADMP CC(=O)Nc1ccc(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617503468 449646871 /nfs/dbraw/zinc/64/68/71/449646871.db2.gz KUTYBDHGOZZZSE-HNNXBMFYSA-N 2 1 348.491 1.576 20 0 EDADMP CC(=O)Nc1ccc(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617503468 449646877 /nfs/dbraw/zinc/64/68/77/449646877.db2.gz KUTYBDHGOZZZSE-HNNXBMFYSA-N 2 1 348.491 1.576 20 0 EDADMP COC(=O)c1[nH]c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1C ZINC000602658448 449735213 /nfs/dbraw/zinc/73/52/13/449735213.db2.gz YAMYGIDOHJVBJA-UHFFFAOYSA-N 2 1 348.491 1.569 20 0 EDADMP C[C@H](CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)[NH+](C)C ZINC000617756193 449819425 /nfs/dbraw/zinc/81/94/25/449819425.db2.gz BQKYTIIDADNTHV-CRAIPNDOSA-N 2 1 333.476 1.641 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)[nH+]c1 ZINC000594965974 449822697 /nfs/dbraw/zinc/82/26/97/449822697.db2.gz MFDGEDFEARKEJN-INIZCTEOSA-N 2 1 331.464 1.976 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)[nH+]c1 ZINC000594965974 449822702 /nfs/dbraw/zinc/82/27/02/449822702.db2.gz MFDGEDFEARKEJN-INIZCTEOSA-N 2 1 331.464 1.976 20 0 EDADMP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602810590 449825310 /nfs/dbraw/zinc/82/53/10/449825310.db2.gz MXAPRYBGWKWODY-MDZRGWNJSA-N 2 1 334.460 1.801 20 0 EDADMP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602810590 449825314 /nfs/dbraw/zinc/82/53/14/449825314.db2.gz MXAPRYBGWKWODY-MDZRGWNJSA-N 2 1 334.460 1.801 20 0 EDADMP C[C@@H](CNC(=O)NC1CC[NH+](CCO)CC1)[N@@H+](C)Cc1ccccc1 ZINC000601330687 449837558 /nfs/dbraw/zinc/83/75/58/449837558.db2.gz XDDWTROYOYCHKR-INIZCTEOSA-N 2 1 348.491 1.263 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+](C(C)C)C1 ZINC000601285855 449799368 /nfs/dbraw/zinc/79/93/68/449799368.db2.gz NJKRHWNEGVCLLW-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000601285855 449799371 /nfs/dbraw/zinc/79/93/71/449799371.db2.gz NJKRHWNEGVCLLW-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000601285855 449799376 /nfs/dbraw/zinc/79/93/76/449799376.db2.gz NJKRHWNEGVCLLW-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)C[C@@H]1Cc1ccccc1 ZINC000612989564 449973603 /nfs/dbraw/zinc/97/36/03/449973603.db2.gz YFCUBRRDTXXEAB-ROUUACIJSA-N 2 1 342.487 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)C[C@@H]1Cc1ccccc1 ZINC000612989564 449973610 /nfs/dbraw/zinc/97/36/10/449973610.db2.gz YFCUBRRDTXXEAB-ROUUACIJSA-N 2 1 342.487 1.697 20 0 EDADMP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC(C[NH+]2CCOCC2)C1 ZINC000615145464 449979730 /nfs/dbraw/zinc/97/97/30/449979730.db2.gz ZHWFSLYYIRWDOG-QGZVFWFLSA-N 2 1 335.492 1.432 20 0 EDADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC(C[NH+]2CCOCC2)C1 ZINC000615145464 449979739 /nfs/dbraw/zinc/97/97/39/449979739.db2.gz ZHWFSLYYIRWDOG-QGZVFWFLSA-N 2 1 335.492 1.432 20 0 EDADMP C[NH+](C)C1(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000616535534 450443694 /nfs/dbraw/zinc/44/36/94/450443694.db2.gz JTDAAVJEZQPPFP-ROUUACIJSA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+](C)C1(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000616535534 450443695 /nfs/dbraw/zinc/44/36/95/450443695.db2.gz JTDAAVJEZQPPFP-ROUUACIJSA-N 2 1 343.471 1.583 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000620724152 450533560 /nfs/dbraw/zinc/53/35/60/450533560.db2.gz WSBKZHUABMZKCZ-ZWKOTPCHSA-N 2 1 330.476 1.013 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000620724152 450533562 /nfs/dbraw/zinc/53/35/62/450533562.db2.gz WSBKZHUABMZKCZ-ZWKOTPCHSA-N 2 1 330.476 1.013 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000620724152 450533563 /nfs/dbraw/zinc/53/35/63/450533563.db2.gz WSBKZHUABMZKCZ-ZWKOTPCHSA-N 2 1 330.476 1.013 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000620724152 450533565 /nfs/dbraw/zinc/53/35/65/450533565.db2.gz WSBKZHUABMZKCZ-ZWKOTPCHSA-N 2 1 330.476 1.013 20 0 EDADMP C[N@@H+]1CC[C@@H](NC[C@H]2CS(=O)(=O)c3ccccc3O2)CC1(C)C ZINC000623556811 450542732 /nfs/dbraw/zinc/54/27/32/450542732.db2.gz ZZWVHTXYLRHVHU-KGLIPLIRSA-N 2 1 338.473 1.684 20 0 EDADMP C[N@H+]1CC[C@@H](NC[C@H]2CS(=O)(=O)c3ccccc3O2)CC1(C)C ZINC000623556811 450542734 /nfs/dbraw/zinc/54/27/34/450542734.db2.gz ZZWVHTXYLRHVHU-KGLIPLIRSA-N 2 1 338.473 1.684 20 0 EDADMP Cc1cn2c(n1)C[C@@H](C(=O)NCCCNc1ccc(C)c[nH+]1)CC2 ZINC000625978653 450548010 /nfs/dbraw/zinc/54/80/10/450548010.db2.gz WSOSLSBOJUBUQK-HNNXBMFYSA-N 2 1 327.432 2.076 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CC[NH2+][C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000621153887 450601631 /nfs/dbraw/zinc/60/16/31/450601631.db2.gz AWNSVIZDGHFSJM-IRXDYDNUSA-N 2 1 325.497 1.580 20 0 EDADMP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1cn([C@@H]3CC[NH2+]C3)nn1)CC2 ZINC000629547067 450729512 /nfs/dbraw/zinc/72/95/12/450729512.db2.gz FAZAKDWWHKOXAN-ZBFHGGJFSA-N 2 1 343.431 1.607 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1)N1CC[NH2+]CC1 ZINC000629508280 450720973 /nfs/dbraw/zinc/72/09/73/450720973.db2.gz QIFBTMXDPUNHCO-CYBMUJFWSA-N 2 1 337.851 1.689 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccccn2)[C@@H]1CCC[NH3+] ZINC000629549905 450730533 /nfs/dbraw/zinc/73/05/33/450730533.db2.gz XBLGZJBXNZWQNS-HUUCEWRRSA-N 2 1 325.478 1.695 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000629570528 450742507 /nfs/dbraw/zinc/74/25/07/450742507.db2.gz YPTBITJPXIVFCE-ZDUSSCGKSA-N 2 1 336.436 1.140 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000629570528 450742510 /nfs/dbraw/zinc/74/25/10/450742510.db2.gz YPTBITJPXIVFCE-ZDUSSCGKSA-N 2 1 336.436 1.140 20 0 EDADMP C[N@H+](CCOCC[NH3+])CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000629576671 450744000 /nfs/dbraw/zinc/74/40/00/450744000.db2.gz BPNUJQSKMNECGB-MRXNPFEDSA-N 2 1 348.472 1.256 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000629576671 450744007 /nfs/dbraw/zinc/74/40/07/450744007.db2.gz BPNUJQSKMNECGB-MRXNPFEDSA-N 2 1 348.472 1.256 20 0 EDADMP CC[C@H](NC(=O)C[N@H+](C)CCOCC[NH3+])c1ccc(Cl)cc1 ZINC000629580000 450746850 /nfs/dbraw/zinc/74/68/50/450746850.db2.gz RRCIKTKMBIRCHG-HNNXBMFYSA-N 2 1 327.856 1.814 20 0 EDADMP CC[C@H](NC(=O)C[N@@H+](C)CCOCC[NH3+])c1ccc(Cl)cc1 ZINC000629580000 450746853 /nfs/dbraw/zinc/74/68/53/450746853.db2.gz RRCIKTKMBIRCHG-HNNXBMFYSA-N 2 1 327.856 1.814 20 0 EDADMP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840335 450808732 /nfs/dbraw/zinc/80/87/32/450808732.db2.gz BQZLSKOSPUMJNQ-IIAWOOMASA-N 2 1 328.460 1.742 20 0 EDADMP CCCn1nccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826217 450799630 /nfs/dbraw/zinc/79/96/30/450799630.db2.gz HYEJAIZOYJGZBE-JKSUJKDBSA-N 2 1 333.480 1.943 20 0 EDADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000631830098 450801942 /nfs/dbraw/zinc/80/19/42/450801942.db2.gz JLKNJBBLCKLXAR-JKSUJKDBSA-N 2 1 333.480 1.568 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)C[C@H]21 ZINC000627649396 450866944 /nfs/dbraw/zinc/86/69/44/450866944.db2.gz VIIMWSAHINFVHO-WNRNVDISSA-N 2 1 328.460 1.312 20 0 EDADMP CC[NH+]1CCN(c2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cn2)CC1 ZINC000629949061 450908335 /nfs/dbraw/zinc/90/83/35/450908335.db2.gz MWDJDTCIVLOAAS-UHFFFAOYSA-N 2 1 345.491 1.324 20 0 EDADMP C[C@H](C(=O)N1CCC([N@H+]2CCCOCC2)CC1)[NH+]1CCCCCC1 ZINC000627739907 450909928 /nfs/dbraw/zinc/90/99/28/450909928.db2.gz VCYKDBWXWRRBOG-QGZVFWFLSA-N 2 1 337.508 1.964 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1[nH]ncc1C(F)(F)F ZINC000633614898 450944543 /nfs/dbraw/zinc/94/45/43/450944543.db2.gz VSJIGXHZSSUWQH-JTQLQIEISA-N 2 1 335.374 1.430 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1[nH]ncc1C(F)(F)F ZINC000633614898 450944546 /nfs/dbraw/zinc/94/45/46/450944546.db2.gz VSJIGXHZSSUWQH-JTQLQIEISA-N 2 1 335.374 1.430 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)c2C1 ZINC000626888232 450984986 /nfs/dbraw/zinc/98/49/86/450984986.db2.gz JRFIJMQFQBPKHJ-ZFWWWQNUSA-N 2 1 344.459 1.607 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)c2C1 ZINC000626888232 450984992 /nfs/dbraw/zinc/98/49/92/450984992.db2.gz JRFIJMQFQBPKHJ-ZFWWWQNUSA-N 2 1 344.459 1.607 20 0 EDADMP CC(C)C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)n1ccnc1 ZINC000635489896 450986514 /nfs/dbraw/zinc/98/65/14/450986514.db2.gz ZKAVJUKHKQGQBY-CVEARBPZSA-N 2 1 349.479 1.174 20 0 EDADMP CCC[C@H](CCO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000633830259 451038950 /nfs/dbraw/zinc/03/89/50/451038950.db2.gz IVAXEOWCQSKJHO-QGZVFWFLSA-N 2 1 339.524 1.850 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000635543614 451039766 /nfs/dbraw/zinc/03/97/66/451039766.db2.gz UGAGNYCNDCRRLQ-MRXNPFEDSA-N 2 1 333.480 1.148 20 0 EDADMP C[NH2+]CCOCCNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000627040894 451097734 /nfs/dbraw/zinc/09/77/34/451097734.db2.gz XVAJCSKWNSQGPU-UHFFFAOYSA-N 2 1 335.452 1.025 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000626993647 451059453 /nfs/dbraw/zinc/05/94/53/451059453.db2.gz JXRPGYZVWYPTTI-KRWDZBQOSA-N 2 1 336.455 1.897 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cn1 ZINC000632132663 451061027 /nfs/dbraw/zinc/06/10/27/451061027.db2.gz NEGQONKXPGHQFK-KRWDZBQOSA-N 2 1 327.432 1.361 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626999407 451064416 /nfs/dbraw/zinc/06/44/16/451064416.db2.gz ZCTCOKJEFNWVLX-XWUBHJNHSA-N 2 1 348.413 1.638 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627011656 451076093 /nfs/dbraw/zinc/07/60/93/451076093.db2.gz HFYHLCMFVUNAOU-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1([NH3+])CCOCC1 ZINC000627012909 451076525 /nfs/dbraw/zinc/07/65/25/451076525.db2.gz JOKNINHUBIBDAD-WBVHZDCISA-N 2 1 346.475 1.314 20 0 EDADMP Cc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c(N2CCCC2)[nH+]1 ZINC000627012124 451077276 /nfs/dbraw/zinc/07/72/76/451077276.db2.gz REIFDZUWMUIXFA-CZUORRHYSA-N 2 1 331.464 1.930 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)CCC[NH+](C)C ZINC000632183806 451098975 /nfs/dbraw/zinc/09/89/75/451098975.db2.gz GEXLFMXJTCEIAG-OAHLLOKOSA-N 2 1 327.494 1.378 20 0 EDADMP Cc1cn2c(n1)C[C@@H](C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000628015967 451088202 /nfs/dbraw/zinc/08/82/02/451088202.db2.gz NYQQUVOOOGQZGR-JONQDZQNSA-N 2 1 334.464 1.368 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000627040904 451097234 /nfs/dbraw/zinc/09/72/34/451097234.db2.gz YBEPWNQOAHQWSO-JKSUJKDBSA-N 2 1 331.464 1.930 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000635639359 451127292 /nfs/dbraw/zinc/12/72/92/451127292.db2.gz GEQMPLXUQGHIAI-ZWKOTPCHSA-N 2 1 337.508 1.963 20 0 EDADMP Cc1nc(C)c(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000628210044 451183246 /nfs/dbraw/zinc/18/32/46/451183246.db2.gz FDJOMCIVODDPIV-UHFFFAOYSA-N 2 1 329.448 1.988 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000635741068 451210418 /nfs/dbraw/zinc/21/04/18/451210418.db2.gz ASYQMSLHWZGHDT-OTWHNJEPSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000635741068 451210420 /nfs/dbraw/zinc/21/04/20/451210420.db2.gz ASYQMSLHWZGHDT-OTWHNJEPSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000635741068 451210425 /nfs/dbraw/zinc/21/04/25/451210425.db2.gz ASYQMSLHWZGHDT-OTWHNJEPSA-N 2 1 345.487 1.470 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3ccnc3C[NH3+])CC2)cc1 ZINC000630583198 451261539 /nfs/dbraw/zinc/26/15/39/451261539.db2.gz ASBVEHCFOMXUEV-UHFFFAOYSA-N 2 1 341.459 1.385 20 0 EDADMP COCC[C@H]([NH3+])Cc1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000630591817 451267779 /nfs/dbraw/zinc/26/77/79/451267779.db2.gz HPLUYKHDEQBBOZ-WMZOPIPTSA-N 2 1 329.448 1.631 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638113218 451281198 /nfs/dbraw/zinc/28/11/98/451281198.db2.gz ZSEOEBMPPBPALC-QAPCUYQASA-N 2 1 325.497 1.759 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000638121551 451289786 /nfs/dbraw/zinc/28/97/86/451289786.db2.gz GAZWJXJMYAFMRO-YTQUADARSA-N 2 1 346.519 1.777 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000638121551 451289791 /nfs/dbraw/zinc/28/97/91/451289791.db2.gz GAZWJXJMYAFMRO-YTQUADARSA-N 2 1 346.519 1.777 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000638121551 451289794 /nfs/dbraw/zinc/28/97/94/451289794.db2.gz GAZWJXJMYAFMRO-YTQUADARSA-N 2 1 346.519 1.777 20 0 EDADMP C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638122938 451292178 /nfs/dbraw/zinc/29/21/78/451292178.db2.gz MZUGAQGBESSSIJ-CRAIPNDOSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638122938 451292182 /nfs/dbraw/zinc/29/21/82/451292182.db2.gz MZUGAQGBESSSIJ-CRAIPNDOSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000638124302 451293546 /nfs/dbraw/zinc/29/35/46/451293546.db2.gz RXRYMPVHCZFNQH-KBAYOESNSA-N 2 1 332.492 1.387 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000638124302 451293549 /nfs/dbraw/zinc/29/35/49/451293549.db2.gz RXRYMPVHCZFNQH-KBAYOESNSA-N 2 1 332.492 1.387 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000638124302 451293552 /nfs/dbraw/zinc/29/35/52/451293552.db2.gz RXRYMPVHCZFNQH-KBAYOESNSA-N 2 1 332.492 1.387 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635845800 451294206 /nfs/dbraw/zinc/29/42/06/451294206.db2.gz NMAICIBKTNAMRE-INIZCTEOSA-N 2 1 331.464 1.522 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635845800 451294209 /nfs/dbraw/zinc/29/42/09/451294209.db2.gz NMAICIBKTNAMRE-INIZCTEOSA-N 2 1 331.464 1.522 20 0 EDADMP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000638130557 451301709 /nfs/dbraw/zinc/30/17/09/451301709.db2.gz JZMURIIGWWZWIC-UKRRQHHQSA-N 2 1 335.448 1.392 20 0 EDADMP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000638130557 451301712 /nfs/dbraw/zinc/30/17/12/451301712.db2.gz JZMURIIGWWZWIC-UKRRQHHQSA-N 2 1 335.448 1.392 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2)C1 ZINC000638134824 451306493 /nfs/dbraw/zinc/30/64/93/451306493.db2.gz QHPJUMJEUWOFME-RRQGHBQHSA-N 2 1 333.432 1.462 20 0 EDADMP CC[NH2+][C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000638138724 451314421 /nfs/dbraw/zinc/31/44/21/451314421.db2.gz GBQFCLKDRCOJOZ-MRXNPFEDSA-N 3 1 338.540 1.639 20 0 EDADMP [NH3+][C@@H](CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000638153392 451324715 /nfs/dbraw/zinc/32/47/15/451324715.db2.gz IUYUVGZYMKXDJM-KRWDZBQOSA-N 3 1 330.476 1.224 20 0 EDADMP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638229831 451370586 /nfs/dbraw/zinc/37/05/86/451370586.db2.gz QSUQAWGQFHQHHG-MOPGFXCFSA-N 2 1 342.487 1.015 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H](C)N3CC[NH+](C)CC3)C2)cc1 ZINC000634456383 451345604 /nfs/dbraw/zinc/34/56/04/451345604.db2.gz BSYJEFJTNYAJDV-PKOBYXMFSA-N 2 1 344.503 1.321 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C)N3CC[NH+](C)CC3)C2)cc1 ZINC000634456383 451345608 /nfs/dbraw/zinc/34/56/08/451345608.db2.gz BSYJEFJTNYAJDV-PKOBYXMFSA-N 2 1 344.503 1.321 20 0 EDADMP [NH3+][C@@H]1CC=C(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC000638270460 451391070 /nfs/dbraw/zinc/39/10/70/451391070.db2.gz FXXJNXNIXYQNGF-GOSISDBHSA-N 2 1 344.459 1.180 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC[NH+]2CC[C@@H](O)C2)c1 ZINC000636675652 451406230 /nfs/dbraw/zinc/40/62/30/451406230.db2.gz GPLLZRFITJUXNO-QGZVFWFLSA-N 2 1 334.464 1.004 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000636675652 451406234 /nfs/dbraw/zinc/40/62/34/451406234.db2.gz GPLLZRFITJUXNO-QGZVFWFLSA-N 2 1 334.464 1.004 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000636675652 451406239 /nfs/dbraw/zinc/40/62/39/451406239.db2.gz GPLLZRFITJUXNO-QGZVFWFLSA-N 2 1 334.464 1.004 20 0 EDADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000638331705 451438213 /nfs/dbraw/zinc/43/82/13/451438213.db2.gz KVULDBHEVGCGBT-UHFFFAOYSA-N 2 1 334.508 1.195 20 0 EDADMP CN(C)c1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000640602853 451449233 /nfs/dbraw/zinc/44/92/33/451449233.db2.gz GEUPOZOXLWJITR-AWEZNQCLSA-N 2 1 347.463 1.770 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1)N1CC[NH2+]CC1 ZINC000634687691 451465636 /nfs/dbraw/zinc/46/56/36/451465636.db2.gz VSRIXBNEBNKZRX-QGZVFWFLSA-N 2 1 338.455 1.879 20 0 EDADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CC2(O)CCOCC2)c1 ZINC000634700491 451473946 /nfs/dbraw/zinc/47/39/46/451473946.db2.gz ANNCOPOQEXZZDF-GOSISDBHSA-N 2 1 336.476 1.520 20 0 EDADMP CN(CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000634704639 451480912 /nfs/dbraw/zinc/48/09/12/451480912.db2.gz NELOWWJSLUSFNE-INIZCTEOSA-N 2 1 345.409 1.707 20 0 EDADMP CN(CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000634704639 451480915 /nfs/dbraw/zinc/48/09/15/451480915.db2.gz NELOWWJSLUSFNE-INIZCTEOSA-N 2 1 345.409 1.707 20 0 EDADMP O=C1C[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000634711069 451489162 /nfs/dbraw/zinc/48/91/62/451489162.db2.gz ITAPZNVRZYJVMO-XLIONFOSSA-N 2 1 343.471 1.224 20 0 EDADMP O=C1C[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000634711069 451489164 /nfs/dbraw/zinc/48/91/64/451489164.db2.gz ITAPZNVRZYJVMO-XLIONFOSSA-N 2 1 343.471 1.224 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000630860806 451444922 /nfs/dbraw/zinc/44/49/22/451444922.db2.gz QGYNWGJADZOZOJ-ZWKOTPCHSA-N 2 1 337.508 1.678 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000634724282 451505705 /nfs/dbraw/zinc/50/57/05/451505705.db2.gz NGDSPMUNJJWCCJ-HOJAQTOUSA-N 2 1 347.503 1.037 20 0 EDADMP CO[C@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CCCC1 ZINC000638482627 451535449 /nfs/dbraw/zinc/53/54/49/451535449.db2.gz ULUQQKZSCSIZOI-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CO[C@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CCCC1 ZINC000638482627 451535453 /nfs/dbraw/zinc/53/54/53/451535453.db2.gz ULUQQKZSCSIZOI-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000638511516 451553001 /nfs/dbraw/zinc/55/30/01/451553001.db2.gz ATKIUXPZPCJKNM-MOPGFXCFSA-N 2 1 345.487 1.734 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000636244962 451615424 /nfs/dbraw/zinc/61/54/24/451615424.db2.gz PZEJQRCYXDGBGS-MOPGFXCFSA-N 2 1 344.503 1.261 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000636244962 451615429 /nfs/dbraw/zinc/61/54/29/451615429.db2.gz PZEJQRCYXDGBGS-MOPGFXCFSA-N 2 1 344.503 1.261 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000636244962 451615434 /nfs/dbraw/zinc/61/54/34/451615434.db2.gz PZEJQRCYXDGBGS-MOPGFXCFSA-N 2 1 344.503 1.261 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000636244962 451615439 /nfs/dbraw/zinc/61/54/39/451615439.db2.gz PZEJQRCYXDGBGS-MOPGFXCFSA-N 2 1 344.503 1.261 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)n2cc(-c3cccc(C[NH3+])c3)nn2)CC1 ZINC000640831884 451618288 /nfs/dbraw/zinc/61/82/88/451618288.db2.gz ZGKSJRIVUMUTLZ-AWEZNQCLSA-N 2 1 342.447 1.129 20 0 EDADMP C[C@H]1CC[C@@H](NC(=O)c2sc3c(c2Br)C[NH2+]C3)C[NH2+]1 ZINC000638643264 451628234 /nfs/dbraw/zinc/62/82/34/451628234.db2.gz ZNDHLINRCNWMHK-JGVFFNPUSA-N 2 1 344.278 1.984 20 0 EDADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cnc(N)nc2N)C[N@H+]1Cc1ccccc1 ZINC000638797148 451693913 /nfs/dbraw/zinc/69/39/13/451693913.db2.gz PASUQGRKPNXSIY-GOEBONIOSA-N 2 1 340.475 1.692 20 0 EDADMP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638803847 451695983 /nfs/dbraw/zinc/69/59/83/451695983.db2.gz QBZNWYFQEQSQFH-QZTJIDSGSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000638934373 451739195 /nfs/dbraw/zinc/73/91/95/451739195.db2.gz HEIGIQORPCNWCX-OIPACUDHSA-N 2 1 331.460 1.858 20 0 EDADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000638934373 451739198 /nfs/dbraw/zinc/73/91/98/451739198.db2.gz HEIGIQORPCNWCX-OIPACUDHSA-N 2 1 331.460 1.858 20 0 EDADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccco1 ZINC000637139401 451739356 /nfs/dbraw/zinc/73/93/56/451739356.db2.gz JYQAULOTGBSQBQ-RBSFLKMASA-N 2 1 338.452 1.075 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)CC[N@H+]1C ZINC000639018469 451752722 /nfs/dbraw/zinc/75/27/22/451752722.db2.gz KUYGSURLUJYAMP-CGTJXYLNSA-N 2 1 333.476 1.718 20 0 EDADMP C[NH+](C)CC1(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CCCC1 ZINC000639045605 451757150 /nfs/dbraw/zinc/75/71/50/451757150.db2.gz CGPXQGIAZJIRTF-UHFFFAOYSA-N 2 1 345.553 1.949 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641214291 451783936 /nfs/dbraw/zinc/78/39/36/451783936.db2.gz CAZVWCOCNUQOLP-PKOBYXMFSA-N 2 1 343.475 1.313 20 0 EDADMP CC(C)[C@@H](C(=O)NCCC1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653272020 451807066 /nfs/dbraw/zinc/80/70/66/451807066.db2.gz VLVATRURCSHANX-UXLLHSPISA-N 2 1 325.497 1.626 20 0 EDADMP CC(C)[C@@H](C(=O)NCCC1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653272020 451807073 /nfs/dbraw/zinc/80/70/73/451807073.db2.gz VLVATRURCSHANX-UXLLHSPISA-N 2 1 325.497 1.626 20 0 EDADMP C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3C[NH+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000646922197 451939597 /nfs/dbraw/zinc/93/95/97/451939597.db2.gz JRXFKQATYYEDBK-IPMKNSEASA-N 2 1 343.471 1.440 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3C[NH+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000646922197 451939601 /nfs/dbraw/zinc/93/96/01/451939601.db2.gz JRXFKQATYYEDBK-IPMKNSEASA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000646922197 451939603 /nfs/dbraw/zinc/93/96/03/451939603.db2.gz JRXFKQATYYEDBK-IPMKNSEASA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000646922197 451939608 /nfs/dbraw/zinc/93/96/08/451939608.db2.gz JRXFKQATYYEDBK-IPMKNSEASA-N 2 1 343.471 1.440 20 0 EDADMP [NH3+][C@@H](CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000649279243 451950809 /nfs/dbraw/zinc/95/08/09/451950809.db2.gz AFVIQYJBDMYMME-QZTJIDSGSA-N 2 1 331.460 1.270 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000649288337 451962463 /nfs/dbraw/zinc/96/24/63/451962463.db2.gz LBKQLQOMMZEPGU-INIZCTEOSA-N 2 1 345.487 1.913 20 0 EDADMP COCCC1(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000649292997 451968539 /nfs/dbraw/zinc/96/85/39/451968539.db2.gz SSRNPXVOYOWMQY-HOTGVXAUSA-N 2 1 325.497 1.772 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000649311462 451989564 /nfs/dbraw/zinc/98/95/64/451989564.db2.gz RRPJNKBSKZGCTH-HNAYVOBHSA-N 2 1 331.460 1.318 20 0 EDADMP COCCC1(C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC[NH2+]CC1 ZINC000649315250 451994827 /nfs/dbraw/zinc/99/48/27/451994827.db2.gz XXLGIQPVLLVSGS-UHFFFAOYSA-N 2 1 337.508 1.870 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cnn1C ZINC000649339496 452019457 /nfs/dbraw/zinc/01/94/57/452019457.db2.gz CMUBTGDDSWWIGC-GPFKCLTHSA-N 2 1 345.491 1.163 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000639682085 452021005 /nfs/dbraw/zinc/02/10/05/452021005.db2.gz KEFCLVIPMNBNDQ-QGZVFWFLSA-N 2 1 345.491 1.146 20 0 EDADMP C[C@H](NC(=O)C1CCC([NH3+])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649340165 452021614 /nfs/dbraw/zinc/02/16/14/452021614.db2.gz FQAIRCYBCFICNP-GWFLUQINSA-N 2 1 345.487 1.910 20 0 EDADMP C[C@H](NC(=O)C1CCC([NH3+])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649340165 452021618 /nfs/dbraw/zinc/02/16/18/452021618.db2.gz FQAIRCYBCFICNP-GWFLUQINSA-N 2 1 345.487 1.910 20 0 EDADMP COC[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000651700908 452021856 /nfs/dbraw/zinc/02/18/56/452021856.db2.gz YUQHBTCBUIDIBX-MRXNPFEDSA-N 2 1 327.513 1.970 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649342656 452023616 /nfs/dbraw/zinc/02/36/16/452023616.db2.gz HDOMSPGECIZNNJ-HZPDHXFCSA-N 2 1 337.414 1.964 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649345220 452026151 /nfs/dbraw/zinc/02/61/51/452026151.db2.gz QHMXPGXBEZXLOS-YRXWBPOGSA-N 2 1 327.472 1.822 20 0 EDADMP CCC[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]CC2)CC[N@H+]1CCOC ZINC000649379193 452051805 /nfs/dbraw/zinc/05/18/05/452051805.db2.gz QXGSCQAKNKWVHJ-DLBZAZTESA-N 2 1 325.497 1.726 20 0 EDADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000643215035 452076947 /nfs/dbraw/zinc/07/69/47/452076947.db2.gz UMRQULYQHOOWMA-HNNXBMFYSA-N 2 1 332.448 1.828 20 0 EDADMP CC[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@H]1[NH3+] ZINC000649416863 452080227 /nfs/dbraw/zinc/08/02/27/452080227.db2.gz OEBDWBZOHFEYEV-IAGOWNOFSA-N 2 1 345.491 1.180 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2cnnn2-c2ccccc2)CC1(C)C ZINC000651794350 452081952 /nfs/dbraw/zinc/08/19/52/452081952.db2.gz VZBAJGIBORHQGF-UHFFFAOYSA-N 2 1 328.464 1.383 20 0 EDADMP O=C(CN1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000649419146 452082201 /nfs/dbraw/zinc/08/22/01/452082201.db2.gz GZBJIYLDQMHGOT-OALUTQOASA-N 2 1 342.487 1.015 20 0 EDADMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc4cnccc4o3)CC2)CC1 ZINC000651807572 452091733 /nfs/dbraw/zinc/09/17/33/452091733.db2.gz HCUDJNSUXFIBOZ-UHFFFAOYSA-N 2 1 342.443 1.814 20 0 EDADMP CC(C)NC(=O)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637892281 452142247 /nfs/dbraw/zinc/14/22/47/452142247.db2.gz ONLOZAAPBCKXNU-UHFFFAOYSA-N 2 1 346.475 1.011 20 0 EDADMP O[C@]1(C[N@@H+]2CCC[C@](O)(C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639813671 452149282 /nfs/dbraw/zinc/14/92/82/452149282.db2.gz JFUKXJAIACLBTJ-WOJBJXKFSA-N 2 1 330.472 1.860 20 0 EDADMP O[C@]1(C[N@H+]2CCC[C@](O)(C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639813671 452149287 /nfs/dbraw/zinc/14/92/87/452149287.db2.gz JFUKXJAIACLBTJ-WOJBJXKFSA-N 2 1 330.472 1.860 20 0 EDADMP O[C@]1(C[NH+]2CCC[C@](O)(C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639813671 452149295 /nfs/dbraw/zinc/14/92/95/452149295.db2.gz JFUKXJAIACLBTJ-WOJBJXKFSA-N 2 1 330.472 1.860 20 0 EDADMP O[C@]1(C[NH+]2CCC[C@](O)(C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639813671 452149299 /nfs/dbraw/zinc/14/92/99/452149299.db2.gz JFUKXJAIACLBTJ-WOJBJXKFSA-N 2 1 330.472 1.860 20 0 EDADMP [NH3+]C1(CC(=O)N2CCCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000637938373 452185365 /nfs/dbraw/zinc/18/53/65/452185365.db2.gz OKHHXSFIAVDCJW-UHFFFAOYSA-N 2 1 331.460 1.619 20 0 EDADMP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654058686 452228880 /nfs/dbraw/zinc/22/88/80/452228880.db2.gz QNTFZAWUSALKNR-OAGGEKHMSA-N 2 1 333.476 1.976 20 0 EDADMP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654058686 452228885 /nfs/dbraw/zinc/22/88/85/452228885.db2.gz QNTFZAWUSALKNR-OAGGEKHMSA-N 2 1 333.476 1.976 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2(COC)CC[NH2+]CC2)[C@H](C)C1 ZINC000641757943 452240497 /nfs/dbraw/zinc/24/04/97/452240497.db2.gz MOJHMFDMZTXZFF-HZPDHXFCSA-N 2 1 340.512 1.374 20 0 EDADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1ccc(F)cc1 ZINC000647517822 452251018 /nfs/dbraw/zinc/25/10/18/452251018.db2.gz JGIPZNVJXXRJAP-HOTGVXAUSA-N 2 1 326.412 1.002 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655459263 452252135 /nfs/dbraw/zinc/25/21/35/452252135.db2.gz BVAHOSQEUGNXHH-BXWFABGCSA-N 2 1 329.444 1.558 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000665702366 452261837 /nfs/dbraw/zinc/26/18/37/452261837.db2.gz ZLRVFKXMUXPHAQ-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000665702366 452261846 /nfs/dbraw/zinc/26/18/46/452261846.db2.gz ZLRVFKXMUXPHAQ-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000665702366 452261854 /nfs/dbraw/zinc/26/18/54/452261854.db2.gz ZLRVFKXMUXPHAQ-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000665702366 452261859 /nfs/dbraw/zinc/26/18/59/452261859.db2.gz ZLRVFKXMUXPHAQ-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000641801141 452275456 /nfs/dbraw/zinc/27/54/56/452275456.db2.gz ALRMTROVXFLIMK-CABCVRRESA-N 2 1 336.505 1.108 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)o1 ZINC000641798975 452275841 /nfs/dbraw/zinc/27/58/41/452275841.db2.gz SEJZYYPIQKMXKH-HUUCEWRRSA-N 2 1 334.464 1.626 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000659431474 452276357 /nfs/dbraw/zinc/27/63/57/452276357.db2.gz NCKWXXRFUMFSQK-HRCADAONSA-N 2 1 348.491 1.703 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000641802257 452276823 /nfs/dbraw/zinc/27/68/23/452276823.db2.gz IMAAHTPUWBPRLE-OIISXLGYSA-N 2 1 330.476 1.345 20 0 EDADMP C[C@H](OCCCNC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641803394 452279324 /nfs/dbraw/zinc/27/93/24/452279324.db2.gz FIEJBORVPBMKPE-UAGQMJEPSA-N 2 1 333.476 1.986 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641805073 452283545 /nfs/dbraw/zinc/28/35/45/452283545.db2.gz MNFIVSIPOBVKPG-JKSUJKDBSA-N 2 1 335.448 1.296 20 0 EDADMP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641806364 452285092 /nfs/dbraw/zinc/28/50/92/452285092.db2.gz QZRCWZCKIJDMMR-SOUVJXGZSA-N 2 1 346.475 1.462 20 0 EDADMP C[C@@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487513 452286275 /nfs/dbraw/zinc/28/62/75/452286275.db2.gz GQXSGTQUHGYOAH-SZOQZIPDSA-N 2 1 337.439 1.482 20 0 EDADMP C[C@@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487513 452286286 /nfs/dbraw/zinc/28/62/86/452286286.db2.gz GQXSGTQUHGYOAH-SZOQZIPDSA-N 2 1 337.439 1.482 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1)c1ccccc1 ZINC000661489051 452290604 /nfs/dbraw/zinc/29/06/04/452290604.db2.gz AURINWIHEGFLAO-RLLQIKCJSA-N 2 1 345.487 1.764 20 0 EDADMP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+]2CCC[C@H](C)[C@H]2CCO)[C@@H]1CCO ZINC000661490354 452295439 /nfs/dbraw/zinc/29/54/39/452295439.db2.gz FAYCCTPKYYQAQF-RHQZKXFESA-N 2 1 342.524 1.313 20 0 EDADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCC[C@H](C)[C@H]2CCO)[C@@H]1CCO ZINC000661490354 452295453 /nfs/dbraw/zinc/29/54/53/452295453.db2.gz FAYCCTPKYYQAQF-RHQZKXFESA-N 2 1 342.524 1.313 20 0 EDADMP C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCC[C@H](C)[C@H]2CCO)[C@@H]1CCO ZINC000661490354 452295464 /nfs/dbraw/zinc/29/54/64/452295464.db2.gz FAYCCTPKYYQAQF-RHQZKXFESA-N 2 1 342.524 1.313 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000659450882 452300223 /nfs/dbraw/zinc/30/02/23/452300223.db2.gz HAPRZULOAKYPCZ-QGZVFWFLSA-N 2 1 332.492 1.930 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546709 452306199 /nfs/dbraw/zinc/30/61/99/452306199.db2.gz TUONXURFGGPDGF-DZGCQCFKSA-N 2 1 337.489 1.920 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652133419 452329923 /nfs/dbraw/zinc/32/99/23/452329923.db2.gz PRVOBHPRVPJAHI-GVDBMIGSSA-N 2 1 349.479 1.510 20 0 EDADMP [NH3+]C[C@@]1(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCCOC1 ZINC000638054427 452334778 /nfs/dbraw/zinc/33/47/78/452334778.db2.gz CZDUHRRKPTUANH-IBGZPJMESA-N 2 1 349.450 1.616 20 0 EDADMP [NH3+]C[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCCOC1 ZINC000638054427 452334784 /nfs/dbraw/zinc/33/47/84/452334784.db2.gz CZDUHRRKPTUANH-IBGZPJMESA-N 2 1 349.450 1.616 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](O)C12CCCC2 ZINC000665762648 452339150 /nfs/dbraw/zinc/33/91/50/452339150.db2.gz LLNIBDAARFNFSN-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](O)C12CCCC2 ZINC000665762648 452339162 /nfs/dbraw/zinc/33/91/62/452339162.db2.gz LLNIBDAARFNFSN-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000659479934 452339174 /nfs/dbraw/zinc/33/91/74/452339174.db2.gz ODBVYABXOSZKPC-HUUCEWRRSA-N 2 1 335.427 1.571 20 0 EDADMP COCC1(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCCC1 ZINC000665763615 452343794 /nfs/dbraw/zinc/34/37/94/452343794.db2.gz HERIUOVCQNJFPB-HNNXBMFYSA-N 2 1 328.501 1.517 20 0 EDADMP COCC1(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCCC1 ZINC000665763615 452343805 /nfs/dbraw/zinc/34/38/05/452343805.db2.gz HERIUOVCQNJFPB-HNNXBMFYSA-N 2 1 328.501 1.517 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000647624606 452360539 /nfs/dbraw/zinc/36/05/39/452360539.db2.gz HKQHKLHPGYDZAY-MJGOQNOKSA-N 2 1 337.508 1.699 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638064525 452363812 /nfs/dbraw/zinc/36/38/12/452363812.db2.gz VNKQRHMPLFYJFC-JXFKEZNVSA-N 2 1 345.487 1.913 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638066005 452367800 /nfs/dbraw/zinc/36/78/00/452367800.db2.gz DDAOFHVDFYGMPR-GOSISDBHSA-N 2 1 325.497 1.712 20 0 EDADMP CC[C@H](CNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000638067917 452368907 /nfs/dbraw/zinc/36/89/07/452368907.db2.gz GUVYJPMZCHSDQO-QWFCFKBJSA-N 2 1 345.487 1.707 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH2+]1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659506619 452371813 /nfs/dbraw/zinc/37/18/13/452371813.db2.gz CZTAMPUKBOPBLA-ARFHVFGLSA-N 2 1 336.480 1.071 20 0 EDADMP CCO[C@@H]1CN(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652176948 452371968 /nfs/dbraw/zinc/37/19/68/452371968.db2.gz VYUIBZBWJHNKPP-KBAYOESNSA-N 2 1 348.491 1.512 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638069445 452372543 /nfs/dbraw/zinc/37/25/43/452372543.db2.gz KEEZSHATJKVVJM-FUHWJXTLSA-N 2 1 332.492 1.294 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638069445 452372547 /nfs/dbraw/zinc/37/25/47/452372547.db2.gz KEEZSHATJKVVJM-FUHWJXTLSA-N 2 1 332.492 1.294 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638069445 452372553 /nfs/dbraw/zinc/37/25/53/452372553.db2.gz KEEZSHATJKVVJM-FUHWJXTLSA-N 2 1 332.492 1.294 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638074455 452386087 /nfs/dbraw/zinc/38/60/87/452386087.db2.gz BCGDMYOHQFJNOC-IBGZPJMESA-N 2 1 346.519 1.779 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638081090 452397656 /nfs/dbraw/zinc/39/76/56/452397656.db2.gz UFDGOGRZFUPSAB-BJLQDIEVSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000659549770 452407442 /nfs/dbraw/zinc/40/74/42/452407442.db2.gz SXQYBNDJYADAKH-CRAIPNDOSA-N 2 1 348.491 1.570 20 0 EDADMP Cc1[nH]c2nc[nH+]c(N3CCCC[C@@H]3CNC(=O)CC[NH3+])c2c1C ZINC000647707342 452440506 /nfs/dbraw/zinc/44/05/06/452440506.db2.gz GRAISQQICMIGCZ-CYBMUJFWSA-N 2 1 330.436 1.399 20 0 EDADMP C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)[C@H]1O ZINC000661628875 452450690 /nfs/dbraw/zinc/45/06/90/452450690.db2.gz VDFONONULZNHAU-GFIVTLFCSA-N 2 1 333.476 1.354 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[N@@H+](C)Cc1ccncc1 ZINC000647721192 452454706 /nfs/dbraw/zinc/45/47/06/452454706.db2.gz MMARALWOGURXRG-QGZVFWFLSA-N 2 1 348.491 1.330 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000659609602 452466343 /nfs/dbraw/zinc/46/63/43/452466343.db2.gz KIIVNPOMOLLUHM-NUJGCVRESA-N 2 1 348.491 1.025 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[C@H]1[NH3+] ZINC000659612459 452469207 /nfs/dbraw/zinc/46/92/07/452469207.db2.gz XBRSDHBRUNALMP-ZJIFWQFVSA-N 2 1 336.480 1.009 20 0 EDADMP C[C@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+](Cc2ccccc2)C1 ZINC000659612811 452470146 /nfs/dbraw/zinc/47/01/46/452470146.db2.gz AZLSHCUKMMWBQJ-PPDQVPDSSA-N 2 1 342.487 1.902 20 0 EDADMP O=C(NCCC1CC[NH2+]CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000652308749 452484836 /nfs/dbraw/zinc/48/48/36/452484836.db2.gz JDVHMBUCWKHXJR-UHFFFAOYSA-N 2 1 330.476 1.904 20 0 EDADMP CCN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000663765421 452495328 /nfs/dbraw/zinc/49/53/28/452495328.db2.gz XPRZCTVUFNQXMI-MSOLQXFVSA-N 2 1 332.492 1.895 20 0 EDADMP c1ncn(-c2ccccc2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000657750190 452497370 /nfs/dbraw/zinc/49/73/70/452497370.db2.gz CNSUUNCEBJUITG-QGZVFWFLSA-N 2 1 327.432 1.610 20 0 EDADMP c1c(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)nc2n1CCCC2 ZINC000655687987 452510067 /nfs/dbraw/zinc/51/00/67/452510067.db2.gz FMSBUVKGFLZQFP-GOSISDBHSA-N 2 1 332.492 1.995 20 0 EDADMP C[C@@H]1CC[N@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C[C@@H]1C[NH3+] ZINC000652341355 452513791 /nfs/dbraw/zinc/51/37/91/452513791.db2.gz HUACJGYQDXUBMW-HIFRSBDPSA-N 2 1 337.489 1.544 20 0 EDADMP C[C@@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C[C@@H]1C[NH3+] ZINC000652341355 452513797 /nfs/dbraw/zinc/51/37/97/452513797.db2.gz HUACJGYQDXUBMW-HIFRSBDPSA-N 2 1 337.489 1.544 20 0 EDADMP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000654453878 452516540 /nfs/dbraw/zinc/51/65/40/452516540.db2.gz GXNNFASXPLJSGA-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)NCc3ccccc3)C2)C1 ZINC000652345764 452518746 /nfs/dbraw/zinc/51/87/46/452518746.db2.gz LICKTRQPJHHPNU-KURKYZTESA-N 2 1 331.460 1.521 20 0 EDADMP O=C(NCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1F ZINC000655698091 452519336 /nfs/dbraw/zinc/51/93/36/452519336.db2.gz WGRPBDYXVOYWGH-INIZCTEOSA-N 2 1 349.450 1.789 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(F)cc3)C2)C1 ZINC000652345460 452520400 /nfs/dbraw/zinc/52/04/00/452520400.db2.gz CEUMCXWPVIKNAN-NXHRZFHOSA-N 2 1 349.450 1.660 20 0 EDADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347071 452521889 /nfs/dbraw/zinc/52/18/89/452521889.db2.gz QCPWROAYEGJPCH-JONQDZQNSA-N 2 1 325.497 1.898 20 0 EDADMP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349357 452524748 /nfs/dbraw/zinc/52/47/48/452524748.db2.gz LWEDZPNPGFHJIW-XQHKEYJVSA-N 2 1 337.386 1.272 20 0 EDADMP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349357 452524756 /nfs/dbraw/zinc/52/47/56/452524756.db2.gz LWEDZPNPGFHJIW-XQHKEYJVSA-N 2 1 337.386 1.272 20 0 EDADMP COc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652361063 452540858 /nfs/dbraw/zinc/54/08/58/452540858.db2.gz XDOYEXLPDXEPFS-ZTFGCOKTSA-N 2 1 347.459 1.995 20 0 EDADMP COc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652361063 452540871 /nfs/dbraw/zinc/54/08/71/452540871.db2.gz XDOYEXLPDXEPFS-ZTFGCOKTSA-N 2 1 347.459 1.995 20 0 EDADMP CN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)c1nccs1 ZINC000652362676 452543694 /nfs/dbraw/zinc/54/36/94/452543694.db2.gz MRHBRXZBGNMUHC-BFHYXJOUSA-N 2 1 338.477 1.467 20 0 EDADMP CN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)c1nccs1 ZINC000652362676 452543701 /nfs/dbraw/zinc/54/37/01/452543701.db2.gz MRHBRXZBGNMUHC-BFHYXJOUSA-N 2 1 338.477 1.467 20 0 EDADMP O=c1[nH]c2ccccc2n1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655730745 452544483 /nfs/dbraw/zinc/54/44/83/452544483.db2.gz LYAADXODSFHJLC-MRXNPFEDSA-N 2 1 344.459 1.975 20 0 EDADMP CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655766474 452566735 /nfs/dbraw/zinc/56/67/35/452566735.db2.gz RHYOSNQCNWTKTF-YESZJQIVSA-N 2 1 328.497 1.377 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655911707 452667797 /nfs/dbraw/zinc/66/77/97/452667797.db2.gz LWPMGUHUOJOULV-XQQFMLRXSA-N 2 1 338.418 1.933 20 0 EDADMP Cc1noc(C)c1CCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664031241 452730965 /nfs/dbraw/zinc/73/09/65/452730965.db2.gz AMPCMWVIISTGIN-ZDUSSCGKSA-N 2 1 339.484 1.405 20 0 EDADMP Cc1noc(C)c1CCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664031241 452730973 /nfs/dbraw/zinc/73/09/73/452730973.db2.gz AMPCMWVIISTGIN-ZDUSSCGKSA-N 2 1 339.484 1.405 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccn(CC(F)F)n1 ZINC000666269429 452732895 /nfs/dbraw/zinc/73/28/95/452732895.db2.gz LWEOGGFGMHXSGI-LBPRGKRZSA-N 2 1 346.426 1.542 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccn(CC(F)F)n1 ZINC000666269429 452732904 /nfs/dbraw/zinc/73/29/04/452732904.db2.gz LWEOGGFGMHXSGI-LBPRGKRZSA-N 2 1 346.426 1.542 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654648247 452737755 /nfs/dbraw/zinc/73/77/55/452737755.db2.gz NMPCUDKYQYKITO-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654648247 452737762 /nfs/dbraw/zinc/73/77/62/452737762.db2.gz NMPCUDKYQYKITO-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3[NH2+]CC3(C)C)c2)CCO1 ZINC000645750271 452751089 /nfs/dbraw/zinc/75/10/89/452751089.db2.gz PGLANGXCJKTBLB-RHSMWYFYSA-N 2 1 331.460 1.522 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3[NH2+]CC3(C)C)c2)CCO1 ZINC000645750271 452751095 /nfs/dbraw/zinc/75/10/95/452751095.db2.gz PGLANGXCJKTBLB-RHSMWYFYSA-N 2 1 331.460 1.522 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)cc1 ZINC000658148023 452756013 /nfs/dbraw/zinc/75/60/13/452756013.db2.gz IZEYNENCIACGNZ-KXBFYZLASA-N 2 1 345.443 1.999 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H]2COC[C@H]2C1)c1ccccc1 ZINC000662029561 452782221 /nfs/dbraw/zinc/78/22/21/452782221.db2.gz BCQBNXNRXXWYCE-KZNAEPCWSA-N 2 1 331.460 1.374 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1-n1cncn1)CCO2 ZINC000648071423 452799361 /nfs/dbraw/zinc/79/93/61/452799361.db2.gz AMJLOWDQLCFWHV-UHFFFAOYSA-N 2 1 327.432 1.564 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C(=O)NC3CC3)cc1)CCO2 ZINC000648071622 452800194 /nfs/dbraw/zinc/80/01/94/452800194.db2.gz LQGDBEARLJUWNM-UHFFFAOYSA-N 2 1 343.471 1.875 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C(=O)NC3CC3)cc1)CCO2 ZINC000648071622 452800200 /nfs/dbraw/zinc/80/02/00/452800200.db2.gz LQGDBEARLJUWNM-UHFFFAOYSA-N 2 1 343.471 1.875 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)o1 ZINC000650584616 452856656 /nfs/dbraw/zinc/85/66/56/452856656.db2.gz ZHNKOEAVWRHDHR-OAHLLOKOSA-N 2 1 337.464 1.698 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)[C@H]3CCC[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000648161613 452872555 /nfs/dbraw/zinc/87/25/55/452872555.db2.gz PJBLRLMJZZBYEO-KSZLIROESA-N 2 1 329.444 1.841 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)[C@H]3CCC[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000648161613 452872561 /nfs/dbraw/zinc/87/25/61/452872561.db2.gz PJBLRLMJZZBYEO-KSZLIROESA-N 2 1 329.444 1.841 20 0 EDADMP O[C@H]1CC[N@H+](C2CCN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000662150966 452886140 /nfs/dbraw/zinc/88/61/40/452886140.db2.gz CVBQLNNIUJUGQR-UXHICEINSA-N 2 1 329.488 1.792 20 0 EDADMP O[C@H]1CC[NH+](C2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000662150966 452886145 /nfs/dbraw/zinc/88/61/45/452886145.db2.gz CVBQLNNIUJUGQR-UXHICEINSA-N 2 1 329.488 1.792 20 0 EDADMP O[C@H]1CC[NH+](C2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000662150966 452886153 /nfs/dbraw/zinc/88/61/53/452886153.db2.gz CVBQLNNIUJUGQR-UXHICEINSA-N 2 1 329.488 1.792 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)C2CCC([NH3+])CC2)CCC[N@H+]1C ZINC000648176050 452888393 /nfs/dbraw/zinc/88/83/93/452888393.db2.gz TULCXJFCZKOYFL-KXJMLMMSSA-N 2 1 333.480 1.437 20 0 EDADMP CC1(OCC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]C1 ZINC000648180187 452892046 /nfs/dbraw/zinc/89/20/46/452892046.db2.gz CEFZPSWIEKCPSR-DLBZAZTESA-N 2 1 329.444 1.098 20 0 EDADMP COc1c(N)ncnc1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000664234750 452908811 /nfs/dbraw/zinc/90/88/11/452908811.db2.gz AFUKQYNGKHWMMO-AWEZNQCLSA-N 2 1 329.404 1.246 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000660012785 452922431 /nfs/dbraw/zinc/92/24/31/452922431.db2.gz UKRPWKAUAFTWRK-DOTOQJQBSA-N 2 1 337.489 1.511 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000660012785 452922438 /nfs/dbraw/zinc/92/24/38/452922438.db2.gz UKRPWKAUAFTWRK-DOTOQJQBSA-N 2 1 337.489 1.511 20 0 EDADMP CNS(=O)(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000660012785 452922448 /nfs/dbraw/zinc/92/24/48/452922448.db2.gz UKRPWKAUAFTWRK-DOTOQJQBSA-N 2 1 337.489 1.511 20 0 EDADMP CNS(=O)(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000660012785 452922457 /nfs/dbraw/zinc/92/24/57/452922457.db2.gz UKRPWKAUAFTWRK-DOTOQJQBSA-N 2 1 337.489 1.511 20 0 EDADMP CO[C@H](C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCCC1 ZINC000662242408 452970555 /nfs/dbraw/zinc/97/05/55/452970555.db2.gz DXHORBMFAXSLTO-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)C(C)(C)O)CC2)CC1 ZINC000654850276 452974195 /nfs/dbraw/zinc/97/41/95/452974195.db2.gz KECKJLRPRIIJEC-AWEZNQCLSA-N 2 1 325.497 1.458 20 0 EDADMP CC(C)Nc1nc(NCCO)nc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000656225047 452974897 /nfs/dbraw/zinc/97/48/97/452974897.db2.gz BQQVYLGPVZBRLX-KBPBESRZSA-N 2 1 349.483 1.525 20 0 EDADMP CC(C)Nc1nc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)nc(NCCO)[nH+]1 ZINC000656225047 452974908 /nfs/dbraw/zinc/97/49/08/452974908.db2.gz BQQVYLGPVZBRLX-KBPBESRZSA-N 2 1 349.483 1.525 20 0 EDADMP COc1ccc(OC)c(C[N@@H+](CCO)C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662253677 452980981 /nfs/dbraw/zinc/98/09/81/452980981.db2.gz BJSUAKWQSSUPKQ-MRXNPFEDSA-N 2 1 336.432 1.019 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000646002753 452997316 /nfs/dbraw/zinc/99/73/16/452997316.db2.gz BPPCCBFCKSNWER-RTBURBONSA-N 2 1 344.503 1.705 20 0 EDADMP Cn1cc(N2CC[C@@H]([N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000662292273 453014171 /nfs/dbraw/zinc/01/41/71/453014171.db2.gz CVAHYHYKCWDOKI-NVXWUHKLSA-N 2 1 331.464 1.237 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662294672 453017183 /nfs/dbraw/zinc/01/71/83/453017183.db2.gz RROPCYGAZZJICQ-AEFFLSMTSA-N 2 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662294672 453017189 /nfs/dbraw/zinc/01/71/89/453017189.db2.gz RROPCYGAZZJICQ-AEFFLSMTSA-N 3 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662294672 453017197 /nfs/dbraw/zinc/01/71/97/453017197.db2.gz RROPCYGAZZJICQ-AEFFLSMTSA-N 3 1 336.524 1.251 20 0 EDADMP NS(=O)(=O)c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)co1 ZINC000662293740 453017367 /nfs/dbraw/zinc/01/73/67/453017367.db2.gz MOKSBRDQQMOLMR-CQSZACIVSA-N 2 1 327.450 1.139 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](CN3CCCC3=O)C2)cc1 ZINC000662315416 453032696 /nfs/dbraw/zinc/03/26/96/453032696.db2.gz FIFIHNASPHEJRN-DOTOQJQBSA-N 2 1 331.460 1.682 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318677 453036039 /nfs/dbraw/zinc/03/60/39/453036039.db2.gz DIXZMCQBNMRIRF-ZWKOTPCHSA-N 2 1 336.476 1.777 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318677 453036045 /nfs/dbraw/zinc/03/60/45/453036045.db2.gz DIXZMCQBNMRIRF-ZWKOTPCHSA-N 2 1 336.476 1.777 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCc1nnn(C(C)(C)C)n1 ZINC000660115474 453041826 /nfs/dbraw/zinc/04/18/26/453041826.db2.gz AEVPEYNBMKPFLX-QLFBSQMISA-N 2 1 336.484 1.154 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCc1nnn(C(C)(C)C)n1 ZINC000660115474 453041838 /nfs/dbraw/zinc/04/18/38/453041838.db2.gz AEVPEYNBMKPFLX-QLFBSQMISA-N 2 1 336.484 1.154 20 0 EDADMP c1c([C@@H]2CCC[N@H+](CC[C@@H]3CCCO3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000662338256 453056785 /nfs/dbraw/zinc/05/67/85/453056785.db2.gz PLTYTXFJSIUOKZ-CVEARBPZSA-N 2 1 333.480 1.568 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000654970495 453089432 /nfs/dbraw/zinc/08/94/32/453089432.db2.gz USTYYFJICKLZOU-QGZVFWFLSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000654970495 453089439 /nfs/dbraw/zinc/08/94/39/453089439.db2.gz USTYYFJICKLZOU-QGZVFWFLSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000654970495 453089446 /nfs/dbraw/zinc/08/94/46/453089446.db2.gz USTYYFJICKLZOU-QGZVFWFLSA-N 2 1 336.524 1.345 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103270 453104599 /nfs/dbraw/zinc/10/45/99/453104599.db2.gz NEQZVHNMNRPZOI-KRWDZBQOSA-N 2 1 334.460 1.531 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCCN(CC(C)(C)C)C1=O)CCO2 ZINC000646105921 453109554 /nfs/dbraw/zinc/10/95/54/453109554.db2.gz MCNBGYLOSJXRNO-INIZCTEOSA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCCN(CC(C)(C)C)C1=O)CCO2 ZINC000646105921 453109559 /nfs/dbraw/zinc/10/95/59/453109559.db2.gz MCNBGYLOSJXRNO-INIZCTEOSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000654995183 453113545 /nfs/dbraw/zinc/11/35/45/453113545.db2.gz YJRSJUONAZKBCN-MRXNPFEDSA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000654995183 453113569 /nfs/dbraw/zinc/11/35/69/453113569.db2.gz YJRSJUONAZKBCN-MRXNPFEDSA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000654995183 453113578 /nfs/dbraw/zinc/11/35/78/453113578.db2.gz YJRSJUONAZKBCN-MRXNPFEDSA-N 2 1 339.528 1.137 20 0 EDADMP [NH3+][C@@H](C(=O)NC1CCC([NH3+])CC1)c1ccccc1Br ZINC000662406593 453118405 /nfs/dbraw/zinc/11/84/05/453118405.db2.gz ZNCOBPSVBXKAGX-SRHKJQAYSA-N 2 1 326.238 1.835 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000662434401 453142896 /nfs/dbraw/zinc/14/28/96/453142896.db2.gz BBGWDKMOMFOSBT-HOCLYGCPSA-N 2 1 332.448 1.320 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662474707 453187505 /nfs/dbraw/zinc/18/75/05/453187505.db2.gz BFHANAYPKVSFHU-QGZVFWFLSA-N 2 1 333.476 1.763 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000660298328 453188103 /nfs/dbraw/zinc/18/81/03/453188103.db2.gz USNXXBBWUZLSAX-HOTGVXAUSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000660298328 453188111 /nfs/dbraw/zinc/18/81/11/453188111.db2.gz USNXXBBWUZLSAX-HOTGVXAUSA-N 2 1 340.512 1.515 20 0 EDADMP C[NH+](C)C(C)(C)CNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662525518 453244365 /nfs/dbraw/zinc/24/43/65/453244365.db2.gz UABVFZGELNKOGY-LBPRGKRZSA-N 2 1 328.254 1.905 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000666921578 453246010 /nfs/dbraw/zinc/24/60/10/453246010.db2.gz YXXBEONOJNVXFY-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000666921578 453246017 /nfs/dbraw/zinc/24/60/17/453246017.db2.gz YXXBEONOJNVXFY-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)cn1 ZINC000648772047 453250095 /nfs/dbraw/zinc/25/00/95/453250095.db2.gz YLJMCKSYWVNGLS-SJLPKXTDSA-N 2 1 347.507 1.668 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)cn1 ZINC000648772047 453250100 /nfs/dbraw/zinc/25/01/00/453250100.db2.gz YLJMCKSYWVNGLS-SJLPKXTDSA-N 2 1 347.507 1.668 20 0 EDADMP CCCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC000648772047 453250107 /nfs/dbraw/zinc/25/01/07/453250107.db2.gz YLJMCKSYWVNGLS-SJLPKXTDSA-N 2 1 347.507 1.668 20 0 EDADMP CCCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC000648772047 453250110 /nfs/dbraw/zinc/25/01/10/453250110.db2.gz YLJMCKSYWVNGLS-SJLPKXTDSA-N 2 1 347.507 1.668 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000666926185 453253200 /nfs/dbraw/zinc/25/32/00/453253200.db2.gz KZXFCUWKBMIMEU-CQSZACIVSA-N 2 1 334.468 1.756 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000662556784 453286229 /nfs/dbraw/zinc/28/62/29/453286229.db2.gz DJOMHWBDAYRELM-LBPRGKRZSA-N 2 1 330.436 1.880 20 0 EDADMP Nc1nc(-n2cccn2)cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)[nH+]1 ZINC000664679070 453313667 /nfs/dbraw/zinc/31/36/67/453313667.db2.gz NWGBNMRCDGUNTN-CQSZACIVSA-N 2 1 327.436 1.778 20 0 EDADMP C[C@H]1COCC[N@H+]1C1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000646319575 453315283 /nfs/dbraw/zinc/31/52/83/453315283.db2.gz LMKPDRJOSAHQBB-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@H]1COCC[NH+]1C1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000646319575 453315289 /nfs/dbraw/zinc/31/52/89/453315289.db2.gz LMKPDRJOSAHQBB-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@H]1COCC[NH+]1C1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000646319575 453315296 /nfs/dbraw/zinc/31/52/96/453315296.db2.gz LMKPDRJOSAHQBB-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2OC(C)(C)C)CC1 ZINC000667054857 453372552 /nfs/dbraw/zinc/37/25/52/453372552.db2.gz XZHOGDBCHPRJRA-CZUORRHYSA-N 2 1 332.448 1.976 20 0 EDADMP [NH3+][C@H](C(=O)NCC[NH+]1CCCC1)c1ccccc1Br ZINC000662668232 453383151 /nfs/dbraw/zinc/38/31/51/453383151.db2.gz JJDVXTSAPDZFOZ-ZDUSSCGKSA-N 2 1 326.238 1.661 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C[C@H](C)O1 ZINC000662669988 453384905 /nfs/dbraw/zinc/38/49/05/453384905.db2.gz BNYNUMHBSRGKSS-MBNYWOFBSA-N 2 1 337.386 1.144 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662680847 453400698 /nfs/dbraw/zinc/40/06/98/453400698.db2.gz MDPVDIMLASDZDS-HUUCEWRRSA-N 2 1 334.468 1.197 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000662680396 453400882 /nfs/dbraw/zinc/40/08/82/453400882.db2.gz TVFQIUDKLQXAAC-KZNAEPCWSA-N 2 1 331.460 1.303 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662710567 453434675 /nfs/dbraw/zinc/43/46/75/453434675.db2.gz HKXPSRGMGVLSHH-OWCLPIDISA-N 2 1 348.495 1.585 20 0 EDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1C[NH2+]CCO1 ZINC000662716839 453441537 /nfs/dbraw/zinc/44/15/37/453441537.db2.gz WYUQHDWPLXHUJY-ZWKOTPCHSA-N 2 1 343.471 1.393 20 0 EDADMP COc1cc(C[NH2+]CC2([NH3+])CCCC2)cc(Cl)c1OCC(N)=O ZINC000656789577 453448121 /nfs/dbraw/zinc/44/81/21/453448121.db2.gz RLEXOBQIJIHKNK-UHFFFAOYSA-N 2 1 341.839 1.574 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000662728238 453455587 /nfs/dbraw/zinc/45/55/87/453455587.db2.gz KIDPIZHPOGGPFY-MSOLQXFVSA-N 2 1 332.492 1.465 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@H](C)O1 ZINC000667180378 453456229 /nfs/dbraw/zinc/45/62/29/453456229.db2.gz NSKUQKYUTSQBOA-QXSJWSMHSA-N 2 1 346.475 1.615 20 0 EDADMP C[N@@H+](CCNC(=O)c1cc(C(C)(C)[NH3+])no1)Cc1ccc(F)cc1 ZINC000662750176 453481665 /nfs/dbraw/zinc/48/16/65/453481665.db2.gz SSFSRSGJWBFSFE-UHFFFAOYSA-N 2 1 334.395 1.869 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)C1 ZINC000662752187 453486187 /nfs/dbraw/zinc/48/61/87/453486187.db2.gz GPHMSTCCUAHOQC-FHLIZLRMSA-N 2 1 347.459 1.710 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000662756591 453494037 /nfs/dbraw/zinc/49/40/37/453494037.db2.gz IUGQISCIJZVWHO-WMZOPIPTSA-N 2 1 344.503 1.701 20 0 EDADMP CCn1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1=O ZINC000667229576 453495267 /nfs/dbraw/zinc/49/52/67/453495267.db2.gz ABSYGOIMUGQGHN-AWEZNQCLSA-N 2 1 337.468 1.262 20 0 EDADMP CCn1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1=O ZINC000667229576 453495277 /nfs/dbraw/zinc/49/52/77/453495277.db2.gz ABSYGOIMUGQGHN-AWEZNQCLSA-N 2 1 337.468 1.262 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000665049018 453553544 /nfs/dbraw/zinc/55/35/44/453553544.db2.gz ZOKYRBQWUGXKKW-SOUVJXGZSA-N 2 1 336.484 1.460 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000665049018 453553554 /nfs/dbraw/zinc/55/35/54/453553554.db2.gz ZOKYRBQWUGXKKW-SOUVJXGZSA-N 2 1 336.484 1.460 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000667331037 453564150 /nfs/dbraw/zinc/56/41/50/453564150.db2.gz SEIIAQYHYMCPJU-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662857584 453573827 /nfs/dbraw/zinc/57/38/27/453573827.db2.gz BKKQASGKVBEFGW-WMZOPIPTSA-N 2 1 331.460 1.259 20 0 EDADMP CO[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000665118989 453581339 /nfs/dbraw/zinc/58/13/39/453581339.db2.gz KERSEMQGYAAMTM-XHSDSOJGSA-N 2 1 340.512 1.515 20 0 EDADMP CO[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000665118989 453581342 /nfs/dbraw/zinc/58/13/42/453581342.db2.gz KERSEMQGYAAMTM-XHSDSOJGSA-N 2 1 340.512 1.515 20 0 EDADMP OCC1([C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc2)CCOCC1 ZINC000665209449 453608495 /nfs/dbraw/zinc/60/84/95/453608495.db2.gz JFRBBKIKBHVSCL-OALUTQOASA-N 2 1 348.487 1.563 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659092444 453626350 /nfs/dbraw/zinc/62/63/50/453626350.db2.gz XBUCVPWOQODFJC-CQSZACIVSA-N 2 1 346.475 1.629 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660886711 453632383 /nfs/dbraw/zinc/63/23/83/453632383.db2.gz HAUWYCGVDYBWJK-RDTXWAMCSA-N 2 1 334.508 1.890 20 0 EDADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c(C)c1 ZINC000665290942 453638061 /nfs/dbraw/zinc/63/80/61/453638061.db2.gz PHBWFNYXQUFVGW-CYBMUJFWSA-N 2 1 343.431 1.765 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000665355088 453663670 /nfs/dbraw/zinc/66/36/70/453663670.db2.gz JFQJLFWEZVIHOE-HNNXBMFYSA-N 2 1 327.517 1.042 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000665363960 453667824 /nfs/dbraw/zinc/66/78/24/453667824.db2.gz GNZKLTJCHOSJFO-HOTGVXAUSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000659284932 453701164 /nfs/dbraw/zinc/70/11/64/453701164.db2.gz MBBFPIBRCPEGJS-ROUUACIJSA-N 2 1 333.476 1.910 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659318898 453714251 /nfs/dbraw/zinc/71/42/51/453714251.db2.gz GWKUJUNXDNOGJZ-SZMVWBNQSA-N 2 1 333.476 1.766 20 0 EDADMP CC(C)(CC[NH3+])NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659326284 453717561 /nfs/dbraw/zinc/71/75/61/453717561.db2.gz XTLVZARIPYEYKB-UHFFFAOYSA-N 2 1 332.267 1.971 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC1(C)C ZINC000661131204 453722749 /nfs/dbraw/zinc/72/27/49/453722749.db2.gz TWFIVPQMDRVZGH-OAHLLOKOSA-N 2 1 339.528 1.184 20 0 EDADMP C[NH+]1CCN(CCNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000661131204 453722753 /nfs/dbraw/zinc/72/27/53/453722753.db2.gz TWFIVPQMDRVZGH-OAHLLOKOSA-N 2 1 339.528 1.184 20 0 EDADMP C[NH+]1CCN(CCNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000661131204 453722758 /nfs/dbraw/zinc/72/27/58/453722758.db2.gz TWFIVPQMDRVZGH-OAHLLOKOSA-N 2 1 339.528 1.184 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3nc4c(s3)C[NH2+]CC4)C2)C1 ZINC000663497214 453810517 /nfs/dbraw/zinc/81/05/17/453810517.db2.gz LVJBHPYFMLCWTF-GUTXKFCHSA-N 3 1 336.505 1.507 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3nc4c(s3)C[NH2+]CC4)C2)C1 ZINC000663497214 453810519 /nfs/dbraw/zinc/81/05/19/453810519.db2.gz LVJBHPYFMLCWTF-GUTXKFCHSA-N 2 1 336.505 1.507 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000683255754 486668673 /nfs/dbraw/zinc/66/86/73/486668673.db2.gz IQDMSXHFOMHZAS-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000683255754 486668678 /nfs/dbraw/zinc/66/86/78/486668678.db2.gz IQDMSXHFOMHZAS-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000683255754 486668681 /nfs/dbraw/zinc/66/86/81/486668681.db2.gz IQDMSXHFOMHZAS-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](C)CCOC1CC[NH+](Cc2cnnn2-c2ccccc2)CC1 ZINC000676145665 486677644 /nfs/dbraw/zinc/67/76/44/486677644.db2.gz XAJNFPKZGDDEBE-UHFFFAOYSA-N 2 1 329.448 1.810 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000676305725 486728902 /nfs/dbraw/zinc/72/89/02/486728902.db2.gz IREVALOESGMMMC-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000676305725 486728906 /nfs/dbraw/zinc/72/89/06/486728906.db2.gz IREVALOESGMMMC-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000676305725 486728913 /nfs/dbraw/zinc/72/89/13/486728913.db2.gz IREVALOESGMMMC-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000676305725 486728918 /nfs/dbraw/zinc/72/89/18/486728918.db2.gz IREVALOESGMMMC-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[N@@H+](CCCCNc2nc(N3CCOCC3)cc[nH+]2)C[C@H](C)O1 ZINC000676313921 486733745 /nfs/dbraw/zinc/73/37/45/486733745.db2.gz VAQFUPMPRIGARY-IYBDPMFKSA-N 2 1 349.479 1.615 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNc2nc(N3CCOCC3)cc[nH+]2)C[C@H](C)O1 ZINC000676313921 486733750 /nfs/dbraw/zinc/73/37/50/486733750.db2.gz VAQFUPMPRIGARY-IYBDPMFKSA-N 2 1 349.479 1.615 20 0 EDADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746313 486740435 /nfs/dbraw/zinc/74/04/35/486740435.db2.gz KRBWHJXGBHXFPZ-TZMCWYRMSA-N 2 1 346.431 1.771 20 0 EDADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746313 486740438 /nfs/dbraw/zinc/74/04/38/486740438.db2.gz KRBWHJXGBHXFPZ-TZMCWYRMSA-N 2 1 346.431 1.771 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCC[C@H]3CCOC3)CC2)CC1 ZINC000683889560 486853596 /nfs/dbraw/zinc/85/35/96/486853596.db2.gz KEVYXUXWUQERMB-SFHVURJKSA-N 2 1 337.508 1.679 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000683909775 486862405 /nfs/dbraw/zinc/86/24/05/486862405.db2.gz DGTOPCQYUZAGLE-OXJNMPFZSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000683909775 486862413 /nfs/dbraw/zinc/86/24/13/486862413.db2.gz DGTOPCQYUZAGLE-OXJNMPFZSA-N 2 1 345.487 1.348 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000673129721 486919784 /nfs/dbraw/zinc/91/97/84/486919784.db2.gz UREZADWCCOXDRU-MRXNPFEDSA-N 2 1 349.479 1.077 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)C1 ZINC000684116510 486950411 /nfs/dbraw/zinc/95/04/11/486950411.db2.gz HNMXYABPCFEPAQ-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000684116510 486950414 /nfs/dbraw/zinc/95/04/14/486950414.db2.gz HNMXYABPCFEPAQ-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000684116510 486950418 /nfs/dbraw/zinc/95/04/18/486950418.db2.gz HNMXYABPCFEPAQ-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)c1 ZINC000667787515 486965098 /nfs/dbraw/zinc/96/50/98/486965098.db2.gz YKUDILBTCOKBOE-UHFFFAOYSA-N 2 1 333.480 1.554 20 0 EDADMP C[C@H]1CN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC[N@H+]1CC(C)(C)O ZINC000667803707 486973036 /nfs/dbraw/zinc/97/30/36/486973036.db2.gz NMUZUNANJORZDK-ZDUSSCGKSA-N 2 1 347.463 1.036 20 0 EDADMP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@H]1CCOC1 ZINC000681208994 486973127 /nfs/dbraw/zinc/97/31/27/486973127.db2.gz QUUUBBVEUZBXJR-AEFFLSMTSA-N 2 1 333.476 1.764 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000684257034 487003877 /nfs/dbraw/zinc/00/38/77/487003877.db2.gz SZMRQPUDGSIRRX-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000684257034 487003887 /nfs/dbraw/zinc/00/38/87/487003887.db2.gz SZMRQPUDGSIRRX-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000684257034 487003896 /nfs/dbraw/zinc/00/38/96/487003896.db2.gz SZMRQPUDGSIRRX-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP CS(=O)(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000684773518 487159870 /nfs/dbraw/zinc/15/98/70/487159870.db2.gz QNASTPMVWWXXTE-KRWDZBQOSA-N 2 1 343.537 1.797 20 0 EDADMP C[C@@H](Cc1ccncc1)NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000674160864 487209438 /nfs/dbraw/zinc/20/94/38/487209438.db2.gz ZDNBMTDNBSIZHP-DOTOQJQBSA-N 2 1 345.491 1.480 20 0 EDADMP CN(C)c1ncc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000685457602 487278127 /nfs/dbraw/zinc/27/81/27/487278127.db2.gz GIYNDZQBBHSDQA-HNNXBMFYSA-N 2 1 337.537 1.809 20 0 EDADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(NS(C)(=O)=O)c2)CCN1C ZINC000678277878 487279664 /nfs/dbraw/zinc/27/96/64/487279664.db2.gz GFKFDVDIBDGBPG-CZUORRHYSA-N 2 1 325.478 1.973 20 0 EDADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(NS(C)(=O)=O)c2)CCN1C ZINC000678277878 487279666 /nfs/dbraw/zinc/27/96/66/487279666.db2.gz GFKFDVDIBDGBPG-CZUORRHYSA-N 2 1 325.478 1.973 20 0 EDADMP C[N@H+](Cc1cnc2ccccn12)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678720278 487356754 /nfs/dbraw/zinc/35/67/54/487356754.db2.gz VBJPCSIMKDFTKN-QGZVFWFLSA-N 2 1 327.476 1.935 20 0 EDADMP C[N@@H+](Cc1cnc2ccccn12)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678720278 487356757 /nfs/dbraw/zinc/35/67/57/487356757.db2.gz VBJPCSIMKDFTKN-QGZVFWFLSA-N 2 1 327.476 1.935 20 0 EDADMP Cn1cnc2cc(C[NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)ccc21 ZINC000678827695 487368620 /nfs/dbraw/zinc/36/86/20/487368620.db2.gz SKMSOUCLROKSLU-QGZVFWFLSA-N 2 1 327.476 1.785 20 0 EDADMP Cn1cnc2cc(C[NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)ccc21 ZINC000678827695 487368624 /nfs/dbraw/zinc/36/86/24/487368624.db2.gz SKMSOUCLROKSLU-QGZVFWFLSA-N 2 1 327.476 1.785 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000675189424 487386849 /nfs/dbraw/zinc/38/68/49/487386849.db2.gz YVSGCLBBCSFQFU-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CNS(=O)(=O)CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679326354 487415367 /nfs/dbraw/zinc/41/53/67/487415367.db2.gz UZVFCTCTRSKFBZ-RDJZCZTQSA-N 2 1 339.505 1.426 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000675536497 487419855 /nfs/dbraw/zinc/41/98/55/487419855.db2.gz ONPNJEPUPZHPMC-INIZCTEOSA-N 2 1 338.496 1.005 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679506749 487433540 /nfs/dbraw/zinc/43/35/40/487433540.db2.gz ZVVSDVXGQHPREV-CYBMUJFWSA-N 2 1 344.419 1.052 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679506749 487433542 /nfs/dbraw/zinc/43/35/42/487433542.db2.gz ZVVSDVXGQHPREV-CYBMUJFWSA-N 2 1 344.419 1.052 20 0 EDADMP CC[C@H](NC(=O)NC/C=C/C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669533038 485508183 /nfs/dbraw/zinc/50/81/83/485508183.db2.gz KVONXKULMBEVFB-ZGKJDNBHSA-N 2 1 346.475 1.480 20 0 EDADMP CC[C@H](NC(=O)NC/C=C/C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669533038 485508188 /nfs/dbraw/zinc/50/81/88/485508188.db2.gz KVONXKULMBEVFB-ZGKJDNBHSA-N 2 1 346.475 1.480 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000079115115 485547269 /nfs/dbraw/zinc/54/72/69/485547269.db2.gz UAMKZSBTKLWKAR-MRXNPFEDSA-N 2 1 328.501 1.374 20 0 EDADMP O=C(NCC1C[NH2+]C1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000669556896 485559926 /nfs/dbraw/zinc/55/99/26/485559926.db2.gz NDQOLSCWKAALNM-CEXWTWQISA-N 2 1 342.487 1.806 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000669021137 485567952 /nfs/dbraw/zinc/56/79/52/485567952.db2.gz HVWKFUWNJNEHHX-NVXWUHKLSA-N 2 1 326.485 1.032 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCC[NH2+]CC1 ZINC000669573735 485605912 /nfs/dbraw/zinc/60/59/12/485605912.db2.gz CHSIWPFSBGATFR-ROUUACIJSA-N 2 1 330.476 1.950 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)CCOC(C)(C)C)C1 ZINC000676042858 485903802 /nfs/dbraw/zinc/90/38/02/485903802.db2.gz FKUJZVXJJDESRH-INIZCTEOSA-N 2 1 343.512 1.206 20 0 EDADMP C[C@H](CNC(=O)NC/C=C/C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000669367568 486014573 /nfs/dbraw/zinc/01/45/73/486014573.db2.gz KQFNATAVISFRGQ-SQRWCISFSA-N 2 1 331.464 1.011 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000668665625 486015571 /nfs/dbraw/zinc/01/55/71/486015571.db2.gz CIIGTYWATNRZBD-RCCFBDPRSA-N 2 1 328.460 1.654 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000668666964 486017025 /nfs/dbraw/zinc/01/70/25/486017025.db2.gz PIYYSWZRYUHGQY-HNNXBMFYSA-N 2 1 335.496 1.247 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000669420207 486139777 /nfs/dbraw/zinc/13/97/77/486139777.db2.gz DOXXXEVPJFVVCR-ZWKOTPCHSA-N 2 1 330.476 1.950 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC000670788376 486223100 /nfs/dbraw/zinc/22/31/00/486223100.db2.gz DAHZULAXABDWDC-KRWDZBQOSA-N 2 1 327.432 1.186 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000669484228 486250074 /nfs/dbraw/zinc/25/00/74/486250074.db2.gz KTEXSGLQCHJRIS-ZMSDIMECSA-N 2 1 337.512 1.066 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000669484228 486250078 /nfs/dbraw/zinc/25/00/78/486250078.db2.gz KTEXSGLQCHJRIS-ZMSDIMECSA-N 2 1 337.512 1.066 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000669491384 486263514 /nfs/dbraw/zinc/26/35/14/486263514.db2.gz XAELWRLKVIWZNF-SJORKVTESA-N 2 1 329.448 1.222 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000669491384 486263520 /nfs/dbraw/zinc/26/35/20/486263520.db2.gz XAELWRLKVIWZNF-SJORKVTESA-N 2 1 329.448 1.222 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)CC1 ZINC000669927765 486514537 /nfs/dbraw/zinc/51/45/37/486514537.db2.gz OEPRAVLBFRYKFZ-ROUUACIJSA-N 2 1 342.487 1.219 20 0 EDADMP CO[C@]1(C(F)(F)F)CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000669934807 486519494 /nfs/dbraw/zinc/51/94/94/486519494.db2.gz QUWRKVLKQKWDIG-CQSZACIVSA-N 2 1 337.386 1.194 20 0 EDADMP CO[C@]1(C(F)(F)F)CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000669934807 486519497 /nfs/dbraw/zinc/51/94/97/486519497.db2.gz QUWRKVLKQKWDIG-CQSZACIVSA-N 2 1 337.386 1.194 20 0 EDADMP CCC(=O)N1CCC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000089144838 491196090 /nfs/dbraw/zinc/19/60/90/491196090.db2.gz QZNQZPUPGPXBIT-IYBDPMFKSA-N 2 1 325.497 1.866 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000174607222 527726870 /nfs/dbraw/zinc/72/68/70/527726870.db2.gz XTPYOBPSXJMDAN-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000174607222 527726876 /nfs/dbraw/zinc/72/68/76/527726876.db2.gz XTPYOBPSXJMDAN-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000174607222 527726883 /nfs/dbraw/zinc/72/68/83/527726883.db2.gz XTPYOBPSXJMDAN-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000174607222 527726886 /nfs/dbraw/zinc/72/68/86/527726886.db2.gz XTPYOBPSXJMDAN-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP CC(C)[NH+](CCNC(=O)NC[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000155105755 528904204 /nfs/dbraw/zinc/90/42/04/528904204.db2.gz YLAWMPRUNKVWKI-MRXNPFEDSA-N 2 1 328.501 1.373 20 0 EDADMP CC1(C)Cc2cccc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)c2O1 ZINC000261623653 534954546 /nfs/dbraw/zinc/95/45/46/534954546.db2.gz GKIYDXVDFAUZLL-MRXNPFEDSA-N 2 1 331.460 1.687 20 0 EDADMP CC(C)[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000073553725 535012848 /nfs/dbraw/zinc/01/28/48/535012848.db2.gz PNGAYNXODVMILT-SFHVURJKSA-N 2 1 333.476 1.835 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@H+]2C)CC1 ZINC000346870562 535264566 /nfs/dbraw/zinc/26/45/66/535264566.db2.gz WVIHBTVPCYIULO-DLBZAZTESA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000236970719 535654661 /nfs/dbraw/zinc/65/46/61/535654661.db2.gz HKUNUJZUJVOSBH-RHSMWYFYSA-N 2 1 336.455 1.437 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262641562 535714182 /nfs/dbraw/zinc/71/41/82/535714182.db2.gz KXSFMGUZSGKLJR-ZHALLVOQSA-N 2 1 346.519 1.712 20 0 EDADMP CN(C(=O)NCC[NH+]1CCSCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353295780 536029666 /nfs/dbraw/zinc/02/96/66/536029666.db2.gz ODAMCZZOUFCEMF-YIONKMFJSA-N 2 1 326.510 1.302 20 0 EDADMP CN(C(=O)NCC[NH+]1CCSCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353295780 536029671 /nfs/dbraw/zinc/02/96/71/536029671.db2.gz ODAMCZZOUFCEMF-YIONKMFJSA-N 2 1 326.510 1.302 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)cn1 ZINC000333757079 536052813 /nfs/dbraw/zinc/05/28/13/536052813.db2.gz ZYLYSLRKHDNFED-DOTOQJQBSA-N 2 1 348.495 1.118 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)cn1 ZINC000333757079 536052818 /nfs/dbraw/zinc/05/28/18/536052818.db2.gz ZYLYSLRKHDNFED-DOTOQJQBSA-N 2 1 348.495 1.118 20 0 EDADMP C[NH2+][C@@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1cnn(C)c1 ZINC000262585128 536335684 /nfs/dbraw/zinc/33/56/84/536335684.db2.gz VESNWANECCCFBE-HZPDHXFCSA-N 2 1 333.411 1.239 20 0 EDADMP C[N@@H+](C[C@@H](O)Cn1cccn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247335999 536420698 /nfs/dbraw/zinc/42/06/98/536420698.db2.gz FULBPHXMRJWQFQ-RTBURBONSA-N 2 1 328.460 1.698 20 0 EDADMP C[NH+](C[C@@H](O)Cn1cccn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247335999 536420701 /nfs/dbraw/zinc/42/07/01/536420701.db2.gz FULBPHXMRJWQFQ-RTBURBONSA-N 2 1 328.460 1.698 20 0 EDADMP C[NH+](C[C@@H](O)Cn1cccn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247335999 536420707 /nfs/dbraw/zinc/42/07/07/536420707.db2.gz FULBPHXMRJWQFQ-RTBURBONSA-N 2 1 328.460 1.698 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cn2)CC1 ZINC000092043444 536426507 /nfs/dbraw/zinc/42/65/07/536426507.db2.gz VDLZKZXMLGKWKU-MSOLQXFVSA-N 2 1 344.507 1.145 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cn2)CC1 ZINC000092043444 536426510 /nfs/dbraw/zinc/42/65/10/536426510.db2.gz VDLZKZXMLGKWKU-MSOLQXFVSA-N 2 1 344.507 1.145 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245471692 536433224 /nfs/dbraw/zinc/43/32/24/536433224.db2.gz XYXXKPULUQLKBX-XVLXNVKGSA-N 2 1 343.471 1.629 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245471692 536433228 /nfs/dbraw/zinc/43/32/28/536433228.db2.gz XYXXKPULUQLKBX-XVLXNVKGSA-N 2 1 343.471 1.629 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245471692 536433230 /nfs/dbraw/zinc/43/32/30/536433230.db2.gz XYXXKPULUQLKBX-XVLXNVKGSA-N 2 1 343.471 1.629 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245471692 536433232 /nfs/dbraw/zinc/43/32/32/536433232.db2.gz XYXXKPULUQLKBX-XVLXNVKGSA-N 2 1 343.471 1.629 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237092877 536455390 /nfs/dbraw/zinc/45/53/90/536455390.db2.gz OVOJUSWMBPFGGN-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237092877 536455391 /nfs/dbraw/zinc/45/53/91/536455391.db2.gz OVOJUSWMBPFGGN-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000245649768 536789514 /nfs/dbraw/zinc/78/95/14/536789514.db2.gz MOTKIUVUORIFRJ-QZTJIDSGSA-N 2 1 348.491 1.699 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245649768 536789518 /nfs/dbraw/zinc/78/95/18/536789518.db2.gz MOTKIUVUORIFRJ-QZTJIDSGSA-N 2 1 348.491 1.699 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000245649768 536789523 /nfs/dbraw/zinc/78/95/23/536789523.db2.gz MOTKIUVUORIFRJ-QZTJIDSGSA-N 2 1 348.491 1.699 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000345472424 537115232 /nfs/dbraw/zinc/11/52/32/537115232.db2.gz VKYBCBIMIVQPSP-GASCZTMLSA-N 2 1 332.448 1.612 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000738983665 578277994 /nfs/dbraw/zinc/27/79/94/578277994.db2.gz GRGBKGMSGKTOJO-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093420245 578306213 /nfs/dbraw/zinc/30/62/13/578306213.db2.gz GTKSREZERFXLEL-CABCVRRESA-N 2 1 342.505 1.880 20 0 EDADMP C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093420245 578306214 /nfs/dbraw/zinc/30/62/14/578306214.db2.gz GTKSREZERFXLEL-CABCVRRESA-N 2 1 342.505 1.880 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=S)NCC(C)(C)C[NH+](C)C)C[C@H](C)O1 ZINC000727072929 578514317 /nfs/dbraw/zinc/51/43/17/578514317.db2.gz RPBVTOBTXZKHDZ-GASCZTMLSA-N 2 1 344.569 1.538 20 0 EDADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C(=O)N[C@](C)(C(C)C)C2=O)CC1 ZINC000738088315 578540579 /nfs/dbraw/zinc/54/05/79/578540579.db2.gz AZPSUBIWHUSUFO-GOSISDBHSA-N 2 1 338.496 1.963 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C(=O)N[C@](C)(C(C)C)C2=O)CC1 ZINC000738088315 578540580 /nfs/dbraw/zinc/54/05/80/578540580.db2.gz AZPSUBIWHUSUFO-GOSISDBHSA-N 2 1 338.496 1.963 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(c2ncc[nH]2)CC1 ZINC000729620042 578585266 /nfs/dbraw/zinc/58/52/66/578585266.db2.gz OZDFNSSJDQUFQN-LSDHHAIUSA-N 2 1 333.436 1.162 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=S)NCCC[NH+]1CCOCC1 ZINC000730731763 578656415 /nfs/dbraw/zinc/65/64/15/578656415.db2.gz MTUMPNPJWPWLSZ-IYBDPMFKSA-N 2 1 342.553 1.436 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=S)NCCC[NH+]1CCOCC1 ZINC000730731763 578656416 /nfs/dbraw/zinc/65/64/16/578656416.db2.gz MTUMPNPJWPWLSZ-IYBDPMFKSA-N 2 1 342.553 1.436 20 0 EDADMP CN(C(=O)/C=C\C1CCOCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732659986 578722363 /nfs/dbraw/zinc/72/23/63/578722363.db2.gz ANIXBLHVQLRTLI-DDKKJVIOSA-N 2 1 335.492 1.596 20 0 EDADMP CN(C(=O)/C=C\C1CCOCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732659986 578722366 /nfs/dbraw/zinc/72/23/66/578722366.db2.gz ANIXBLHVQLRTLI-DDKKJVIOSA-N 2 1 335.492 1.596 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(C(C)(C)C)CC1)C2=O ZINC000734829013 578840782 /nfs/dbraw/zinc/84/07/82/578840782.db2.gz DKOGRNYMHNQAFN-UHFFFAOYSA-N 2 1 336.480 1.718 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000741859274 578956033 /nfs/dbraw/zinc/95/60/33/578956033.db2.gz AJJHQKSKRYHSEG-OAHLLOKOSA-N 2 1 342.553 1.103 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000749512465 579729174 /nfs/dbraw/zinc/72/91/74/579729174.db2.gz AIPARBZFDARIKL-APWZRJJASA-N 2 1 343.471 1.999 20 0 EDADMP NC(=O)COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000749512465 579729176 /nfs/dbraw/zinc/72/91/76/579729176.db2.gz AIPARBZFDARIKL-APWZRJJASA-N 2 1 343.471 1.999 20 0 EDADMP NC(=O)COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000749512465 579729178 /nfs/dbraw/zinc/72/91/78/579729178.db2.gz AIPARBZFDARIKL-APWZRJJASA-N 2 1 343.471 1.999 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000750853784 579783904 /nfs/dbraw/zinc/78/39/04/579783904.db2.gz VMBTUTMLWLNZQY-HNNXBMFYSA-N 2 1 337.489 1.724 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000751325646 579801557 /nfs/dbraw/zinc/80/15/57/579801557.db2.gz MFUUUYBVIQYBFI-SFHVURJKSA-N 2 1 331.460 1.490 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000751325646 579801559 /nfs/dbraw/zinc/80/15/59/579801559.db2.gz MFUUUYBVIQYBFI-SFHVURJKSA-N 2 1 331.460 1.490 20 0 EDADMP Cc1ccccc1[C@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764479206 580121373 /nfs/dbraw/zinc/12/13/73/580121373.db2.gz MHWJYQLMVMGXRU-YSIASYRMSA-N 2 1 331.504 1.986 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)CC[N@H+]1C ZINC000765279121 580139137 /nfs/dbraw/zinc/13/91/37/580139137.db2.gz FOSYRMVJEJJYQB-MBNYWOFBSA-N 2 1 334.386 1.632 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)cc1 ZINC000770388615 580259343 /nfs/dbraw/zinc/25/93/43/580259343.db2.gz DRYNMIOZPMQDKA-INIZCTEOSA-N 2 1 333.432 1.654 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)cc1 ZINC000770388615 580259344 /nfs/dbraw/zinc/25/93/44/580259344.db2.gz DRYNMIOZPMQDKA-INIZCTEOSA-N 2 1 333.432 1.654 20 0 EDADMP C[C@]1(CNC(=O)CC[NH+]2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000779238478 580481883 /nfs/dbraw/zinc/48/18/83/580481883.db2.gz ICQIKYZWSHWMLK-HXUWFJFHSA-N 2 1 345.487 1.880 20 0 EDADMP C[C@]1(CNC(=O)CC[NH+]2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000779238478 580481884 /nfs/dbraw/zinc/48/18/84/580481884.db2.gz ICQIKYZWSHWMLK-HXUWFJFHSA-N 2 1 345.487 1.880 20 0 EDADMP COC(=O)c1ccoc1CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779648614 580492689 /nfs/dbraw/zinc/49/26/89/580492689.db2.gz FGSKCUGBSVHQEC-LBPRGKRZSA-N 2 1 325.365 1.174 20 0 EDADMP COC(=O)c1ccoc1CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779648614 580492690 /nfs/dbraw/zinc/49/26/90/580492690.db2.gz FGSKCUGBSVHQEC-LBPRGKRZSA-N 2 1 325.365 1.174 20 0 EDADMP CCNS(=O)(=O)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780879168 580536337 /nfs/dbraw/zinc/53/63/37/580536337.db2.gz RXPXKRBIFBWCJH-DOTOQJQBSA-N 2 1 339.505 1.426 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC000783641522 580603218 /nfs/dbraw/zinc/60/32/18/580603218.db2.gz KAJLOQZUGMAFAU-HDICACEKSA-N 2 1 342.487 1.854 20 0 EDADMP Cc1n[nH]nc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000789975652 580758401 /nfs/dbraw/zinc/75/84/01/580758401.db2.gz LOPYKQVITDCXLN-UHFFFAOYSA-N 2 1 348.495 1.381 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000795900788 580940648 /nfs/dbraw/zinc/94/06/48/580940648.db2.gz XNUPTPHLMRRDHJ-UHFFFAOYSA-N 2 1 339.524 1.927 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC000799194216 581022051 /nfs/dbraw/zinc/02/20/51/581022051.db2.gz QGOCRLYOXQHHHT-INIZCTEOSA-N 2 1 330.476 1.860 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC000799194216 581022052 /nfs/dbraw/zinc/02/20/52/581022052.db2.gz QGOCRLYOXQHHHT-INIZCTEOSA-N 2 1 330.476 1.860 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000891893510 590675456 /nfs/dbraw/zinc/67/54/56/590675456.db2.gz WKNOMJQNFSPTHG-OALUTQOASA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000891893510 590675459 /nfs/dbraw/zinc/67/54/59/590675459.db2.gz WKNOMJQNFSPTHG-OALUTQOASA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000891893510 590675460 /nfs/dbraw/zinc/67/54/60/590675460.db2.gz WKNOMJQNFSPTHG-OALUTQOASA-N 2 1 342.487 1.780 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)C[NH3+])C1 ZINC000892043968 590768705 /nfs/dbraw/zinc/76/87/05/590768705.db2.gz FBZWHORWRRLWAB-PBHICJAKSA-N 2 1 334.464 1.090 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)C[NH3+])C1 ZINC000892043968 590768708 /nfs/dbraw/zinc/76/87/08/590768708.db2.gz FBZWHORWRRLWAB-PBHICJAKSA-N 2 1 334.464 1.090 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000892256775 590889703 /nfs/dbraw/zinc/88/97/03/590889703.db2.gz CMTJRDWWUWRANR-INIZCTEOSA-N 2 1 342.447 1.811 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000892256775 590889705 /nfs/dbraw/zinc/88/97/05/590889705.db2.gz CMTJRDWWUWRANR-INIZCTEOSA-N 2 1 342.447 1.811 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNc3cc[nH+]cc3CO)CC2)oc1C ZINC000892479144 591041412 /nfs/dbraw/zinc/04/14/12/591041412.db2.gz YFWUGZJDAGYGON-UHFFFAOYSA-N 2 1 330.432 1.925 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000892479821 591042004 /nfs/dbraw/zinc/04/20/04/591042004.db2.gz PNJQUEOBTHVRLO-SJORKVTESA-N 2 1 346.475 1.473 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000891356855 591057595 /nfs/dbraw/zinc/05/75/95/591057595.db2.gz UDOCPTUCJNWCGF-QGZVFWFLSA-N 2 1 339.528 1.188 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000892530766 591061107 /nfs/dbraw/zinc/06/11/07/591061107.db2.gz XDCBFOPOYLWXCL-NJAFHUGGSA-N 2 1 330.476 1.948 20 0 EDADMP [NH3+][C@@H](CCNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000891364936 591062110 /nfs/dbraw/zinc/06/21/10/591062110.db2.gz FRCGXYMMYNAJOK-IRXDYDNUSA-N 2 1 330.476 1.730 20 0 EDADMP CN1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@@H+](C)CC1 ZINC000891527700 591108528 /nfs/dbraw/zinc/10/85/28/591108528.db2.gz BUSVXPMFNIFAFA-UHFFFAOYSA-N 2 1 339.528 1.140 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891536520 591113947 /nfs/dbraw/zinc/11/39/47/591113947.db2.gz SRKFRNHHMRHNIN-YPMHNXCESA-N 2 1 329.395 1.372 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891545489 591118473 /nfs/dbraw/zinc/11/84/73/591118473.db2.gz CWOKDWRDQBGKSN-INIZCTEOSA-N 2 1 326.510 1.210 20 0 EDADMP CN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000893913039 591135571 /nfs/dbraw/zinc/13/55/71/591135571.db2.gz AQEFVJBWBVUTKR-MRXNPFEDSA-N 2 1 349.479 1.258 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000891598416 591143247 /nfs/dbraw/zinc/14/32/47/591143247.db2.gz SWGFFQFKPZNRLU-ZACQAIPSSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC000891598416 591143248 /nfs/dbraw/zinc/14/32/48/591143248.db2.gz SWGFFQFKPZNRLU-ZACQAIPSSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC000891598416 591143251 /nfs/dbraw/zinc/14/32/51/591143251.db2.gz SWGFFQFKPZNRLU-ZACQAIPSSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCc3sc(C[NH3+])nc3C2)C[N@H+]1C1CC1 ZINC000891662521 591174046 /nfs/dbraw/zinc/17/40/46/591174046.db2.gz YRAFQRWTDGSBNO-WDEREUQCSA-N 2 1 335.477 1.295 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891800928 591228262 /nfs/dbraw/zinc/22/82/62/591228262.db2.gz XLKUPWRCPOMNEU-MJKGWSOKSA-N 2 1 342.487 1.758 20 0 EDADMP CC(C)(C)N1CC[C@H]1C(=O)NCc1cccnc1N1CCOCC1 ZINC000895630042 591235914 /nfs/dbraw/zinc/23/59/14/591235914.db2.gz RJHJENBLOWSTQC-HNNXBMFYSA-N 2 1 332.448 1.407 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000894234518 591239873 /nfs/dbraw/zinc/23/98/73/591239873.db2.gz UAMGQDCOJZUEGE-YSHGAJCASA-N 2 1 342.487 1.852 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000894234518 591239876 /nfs/dbraw/zinc/23/98/76/591239876.db2.gz UAMGQDCOJZUEGE-YSHGAJCASA-N 2 1 342.487 1.852 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000894234518 591239878 /nfs/dbraw/zinc/23/98/78/591239878.db2.gz UAMGQDCOJZUEGE-YSHGAJCASA-N 2 1 342.487 1.852 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@@H]1c1ccccc1 ZINC000895989360 591319596 /nfs/dbraw/zinc/31/95/96/591319596.db2.gz AGZVMWAFRGSCDC-YRXWBPOGSA-N 2 1 343.471 1.659 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@@H]1c1ccccc1 ZINC000895989360 591319597 /nfs/dbraw/zinc/31/95/97/591319597.db2.gz AGZVMWAFRGSCDC-YRXWBPOGSA-N 2 1 343.471 1.659 20 0 EDADMP CN1CCC([NH+]2CCC(NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)CC2)CC1 ZINC000896004864 591321532 /nfs/dbraw/zinc/32/15/32/591321532.db2.gz QZYLVHDQCLLKIT-QGZVFWFLSA-N 2 1 336.524 1.534 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@H+]2CCC[C@H]2C)C1 ZINC000897482568 591488960 /nfs/dbraw/zinc/48/89/60/591488960.db2.gz BNKPNOQZVIKPEJ-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CSC1(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)CC[NH+](C)CC1 ZINC000894953270 591498702 /nfs/dbraw/zinc/49/87/02/591498702.db2.gz GOZCRESIRXHVSU-KGLIPLIRSA-N 2 1 326.510 1.159 20 0 EDADMP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1(F)F ZINC000895083913 591575347 /nfs/dbraw/zinc/57/53/47/591575347.db2.gz CJVYBYBWNPQBCK-QXSJWSMHSA-N 2 1 338.398 1.976 20 0 EDADMP Cc1ccc(NCCNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)[nH+]c1 ZINC000896725928 591593349 /nfs/dbraw/zinc/59/33/49/591593349.db2.gz JFQQMAHHJDFRDP-HOTGVXAUSA-N 2 1 347.463 1.043 20 0 EDADMP Cc1ccc(NCCNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)[nH+]c1 ZINC000896725928 591593351 /nfs/dbraw/zinc/59/33/51/591593351.db2.gz JFQQMAHHJDFRDP-HOTGVXAUSA-N 2 1 347.463 1.043 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC000896959975 591691575 /nfs/dbraw/zinc/69/15/75/591691575.db2.gz RMMDBKSJVZVJNT-PBHICJAKSA-N 2 1 333.480 1.884 20 0 EDADMP C[C@H](CNC(=O)NCC[N@H+]1CCC(C)(C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000895602881 591814799 /nfs/dbraw/zinc/81/47/99/591814799.db2.gz FJIHXFZOOATHFH-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NCC[N@@H+]1CCC(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895602881 591814801 /nfs/dbraw/zinc/81/48/01/591814801.db2.gz FJIHXFZOOATHFH-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NCC[N@H+]1CCC(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895602881 591814802 /nfs/dbraw/zinc/81/48/02/591814802.db2.gz FJIHXFZOOATHFH-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCC(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895602881 591814806 /nfs/dbraw/zinc/81/48/06/591814806.db2.gz FJIHXFZOOATHFH-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)CC(C)(C)C ZINC000898207872 591817973 /nfs/dbraw/zinc/81/79/73/591817973.db2.gz TULVIZRGMZJBKU-CABCVRRESA-N 2 1 325.497 1.580 20 0 EDADMP C[N@H+](CC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)CC(C)(C)C ZINC000898207872 591817970 /nfs/dbraw/zinc/81/79/70/591817970.db2.gz TULVIZRGMZJBKU-CABCVRRESA-N 2 1 325.497 1.580 20 0 EDADMP C[NH+]1CCN(CC(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000898298437 591863035 /nfs/dbraw/zinc/86/30/35/591863035.db2.gz MKWQDVVHLFIMFY-UHFFFAOYSA-N 2 1 325.416 1.433 20 0 EDADMP C[N@@H+](CCCNC(=O)C[C@]1(O)CCC[NH+](C)C1)C1CCCCC1 ZINC000900106124 591909081 /nfs/dbraw/zinc/90/90/81/591909081.db2.gz CSYBWHPDSNLDQU-GOSISDBHSA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+](CCCNC(=O)C[C@]1(O)CCC[N@H+](C)C1)C1CCCCC1 ZINC000900106124 591909084 /nfs/dbraw/zinc/90/90/84/591909084.db2.gz CSYBWHPDSNLDQU-GOSISDBHSA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+](CCCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)C1CCCCC1 ZINC000900106124 591909086 /nfs/dbraw/zinc/90/90/86/591909086.db2.gz CSYBWHPDSNLDQU-GOSISDBHSA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccsc1 ZINC000900136545 591914156 /nfs/dbraw/zinc/91/41/56/591914156.db2.gz NSVIUXJORQXALB-GDBMZVCRSA-N 2 1 325.478 1.314 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000900179160 591930150 /nfs/dbraw/zinc/93/01/50/591930150.db2.gz GUJXZIGSZBLAIG-LMMKCTJWSA-N 2 1 331.460 1.222 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000900179160 591930153 /nfs/dbraw/zinc/93/01/53/591930153.db2.gz GUJXZIGSZBLAIG-LMMKCTJWSA-N 2 1 331.460 1.222 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000900179160 591930156 /nfs/dbraw/zinc/93/01/56/591930156.db2.gz GUJXZIGSZBLAIG-LMMKCTJWSA-N 2 1 331.460 1.222 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000900179160 591930157 /nfs/dbraw/zinc/93/01/57/591930157.db2.gz GUJXZIGSZBLAIG-LMMKCTJWSA-N 2 1 331.460 1.222 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000900216489 591946466 /nfs/dbraw/zinc/94/64/66/591946466.db2.gz NDFCTZIIXBKMEF-MSOLQXFVSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000900216489 591946469 /nfs/dbraw/zinc/94/64/69/591946469.db2.gz NDFCTZIIXBKMEF-MSOLQXFVSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000900216489 591946472 /nfs/dbraw/zinc/94/64/72/591946472.db2.gz NDFCTZIIXBKMEF-MSOLQXFVSA-N 2 1 336.524 1.536 20 0 EDADMP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c1 ZINC000900252235 591960873 /nfs/dbraw/zinc/96/08/73/591960873.db2.gz QLJGZCHJZUWAKD-FQEVSTJZSA-N 2 1 347.503 1.991 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)C1 ZINC000902455283 591999553 /nfs/dbraw/zinc/99/95/53/591999553.db2.gz KMVRUXUDHSBBOM-UTUOFQBUSA-N 2 1 339.237 1.567 20 0 EDADMP CN(c1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1)S(C)(=O)=O ZINC000902515830 592008712 /nfs/dbraw/zinc/00/87/12/592008712.db2.gz YHEWMCWZNAOMFY-JKSUJKDBSA-N 2 1 325.478 1.832 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c(C)[nH]nc1Cl ZINC000900481141 592030716 /nfs/dbraw/zinc/03/07/16/592030716.db2.gz NXIHOUHIJGLFJA-CYBMUJFWSA-N 2 1 341.887 1.860 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c1 ZINC000900536696 592050397 /nfs/dbraw/zinc/05/03/97/592050397.db2.gz ADIOQKUFCJLVIL-IBGZPJMESA-N 2 1 349.475 1.090 20 0 EDADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900587825 592060480 /nfs/dbraw/zinc/06/04/80/592060480.db2.gz LIXNYBNTQHYGAU-DLBZAZTESA-N 2 1 335.492 1.765 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000900708286 592100904 /nfs/dbraw/zinc/10/09/04/592100904.db2.gz IDQDGNZOEMABPK-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000900821033 592137449 /nfs/dbraw/zinc/13/74/49/592137449.db2.gz WACDTGZNCWPRLA-AEFFLSMTSA-N 2 1 343.471 1.488 20 0 EDADMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000900821033 592137453 /nfs/dbraw/zinc/13/74/53/592137453.db2.gz WACDTGZNCWPRLA-AEFFLSMTSA-N 2 1 343.471 1.488 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000900824407 592138586 /nfs/dbraw/zinc/13/85/86/592138586.db2.gz LHDHHNUPWWVXMY-MSOLQXFVSA-N 2 1 338.540 1.734 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000900824407 592138588 /nfs/dbraw/zinc/13/85/88/592138588.db2.gz LHDHHNUPWWVXMY-MSOLQXFVSA-N 2 1 338.540 1.734 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000900824407 592138590 /nfs/dbraw/zinc/13/85/90/592138590.db2.gz LHDHHNUPWWVXMY-MSOLQXFVSA-N 2 1 338.540 1.734 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC000903238307 592142547 /nfs/dbraw/zinc/14/25/47/592142547.db2.gz ZMYKSXVJLLPWRN-SKDRFNHKSA-N 2 1 346.353 1.084 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC000903238307 592142548 /nfs/dbraw/zinc/14/25/48/592142548.db2.gz ZMYKSXVJLLPWRN-SKDRFNHKSA-N 2 1 346.353 1.084 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)[C@H]2CCC[C@@H]21 ZINC000903242511 592143053 /nfs/dbraw/zinc/14/30/53/592143053.db2.gz SATJFJLACXXTCE-ILXRZTDVSA-N 2 1 334.464 1.666 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900871019 592152086 /nfs/dbraw/zinc/15/20/86/592152086.db2.gz WOLOQZSZZAGKAJ-AZUAARDMSA-N 2 1 345.487 1.566 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900871019 592152089 /nfs/dbraw/zinc/15/20/89/592152089.db2.gz WOLOQZSZZAGKAJ-AZUAARDMSA-N 2 1 345.487 1.566 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900871019 592152090 /nfs/dbraw/zinc/15/20/90/592152090.db2.gz WOLOQZSZZAGKAJ-AZUAARDMSA-N 2 1 345.487 1.566 20 0 EDADMP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903439583 592169812 /nfs/dbraw/zinc/16/98/12/592169812.db2.gz LFRBINHZKWSITM-RDBSUJKOSA-N 2 1 335.414 1.965 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903421703 592170581 /nfs/dbraw/zinc/17/05/81/592170581.db2.gz RXHTZDYTINNTAZ-RHSMWYFYSA-N 2 1 345.443 1.501 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903421703 592170582 /nfs/dbraw/zinc/17/05/82/592170582.db2.gz RXHTZDYTINNTAZ-RHSMWYFYSA-N 2 1 345.443 1.501 20 0 EDADMP FC(F)(F)[C@@H]1CC[C@H](CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)O1 ZINC000903505605 592181731 /nfs/dbraw/zinc/18/17/31/592181731.db2.gz DVECCZGGZDETSJ-QXSJWSMHSA-N 2 1 347.425 1.997 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)Nc1c(C)cccc1C)C2 ZINC000903490962 592184332 /nfs/dbraw/zinc/18/43/32/592184332.db2.gz OTZWFLLNGOIPPZ-KHYOSLBOSA-N 2 1 345.443 1.454 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)Nc1ccc(C)cc1F)C2 ZINC000903490686 592184604 /nfs/dbraw/zinc/18/46/04/592184604.db2.gz DDPXEKWJMVEDIU-JCGVRSQUSA-N 2 1 349.406 1.285 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)Nc1ccc(C)cc1F)C2 ZINC000903490686 592184607 /nfs/dbraw/zinc/18/46/07/592184607.db2.gz DDPXEKWJMVEDIU-JCGVRSQUSA-N 2 1 349.406 1.285 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCCOc1ccc(OC)cc1)C2 ZINC000903491827 592184866 /nfs/dbraw/zinc/18/48/66/592184866.db2.gz CCWVMTKPNXIIHN-KHYOSLBOSA-N 2 1 348.443 1.676 20 0 EDADMP C[C@@H]1C[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)C[C@H]1CC[NH3+] ZINC000903496756 592187549 /nfs/dbraw/zinc/18/75/49/592187549.db2.gz BVLSGPYJBBUGOQ-ZIAGYGMSSA-N 2 1 326.462 1.386 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCCN2CCc3ccccc32)C[C@H]1CC[NH3+] ZINC000903497048 592188253 /nfs/dbraw/zinc/18/82/53/592188253.db2.gz OLMFGZZMOQRSPW-NVXWUHKLSA-N 2 1 330.476 1.082 20 0 EDADMP C[NH+](C)C[C@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)c2ccccc2O1 ZINC000901059249 592219168 /nfs/dbraw/zinc/21/91/68/592219168.db2.gz ALDGDKJZPMXWTP-CVEARBPZSA-N 2 1 345.443 1.063 20 0 EDADMP CCOc1ccnc(N2CCC[N@H+](C[C@]3(C)CCC[NH2+]C3)CC2)n1 ZINC000904327549 592231396 /nfs/dbraw/zinc/23/13/96/592231396.db2.gz DSRLECKHNTXLJB-GOSISDBHSA-N 2 1 333.480 1.777 20 0 EDADMP CCOc1ccnc(N2CCC[N@@H+](C[C@]3(C)CCC[NH2+]C3)CC2)n1 ZINC000904327549 592231399 /nfs/dbraw/zinc/23/13/99/592231399.db2.gz DSRLECKHNTXLJB-GOSISDBHSA-N 2 1 333.480 1.777 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906657423 592238836 /nfs/dbraw/zinc/23/88/36/592238836.db2.gz YQRMVIFEPGCRNZ-OAHLLOKOSA-N 2 1 344.459 1.274 20 0 EDADMP CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906669171 592250827 /nfs/dbraw/zinc/25/08/27/592250827.db2.gz SCNAPLBCRWLSMO-HNNXBMFYSA-N 2 1 332.448 1.372 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906669171 592250830 /nfs/dbraw/zinc/25/08/30/592250830.db2.gz SCNAPLBCRWLSMO-HNNXBMFYSA-N 2 1 332.448 1.372 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000904432848 592254808 /nfs/dbraw/zinc/25/48/08/592254808.db2.gz HTWVTWARZGYIKT-IRXDYDNUSA-N 2 1 333.480 1.841 20 0 EDADMP c1cc2c(c(C[NH2+]Cc3ccncc3O[C@H]3CC[NH2+]C3)c1)OCO2 ZINC000904456985 592264866 /nfs/dbraw/zinc/26/48/66/592264866.db2.gz JEYNXJJSOSYESC-HNNXBMFYSA-N 2 1 327.384 1.841 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000908020087 592268159 /nfs/dbraw/zinc/26/81/59/592268159.db2.gz GRRMZVKLJHJVNI-OKZBNKHCSA-N 2 1 335.492 1.574 20 0 EDADMP O=C(CCC1CCCC1)N1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903722644 592283632 /nfs/dbraw/zinc/28/36/32/592283632.db2.gz CGBLSZFMAYRTBD-UYAOXDASSA-N 2 1 349.519 1.870 20 0 EDADMP O=C(CC1CCCCC1)N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903725888 592285218 /nfs/dbraw/zinc/28/52/18/592285218.db2.gz IRFCHYGGLSBGOL-ICSRJNTNSA-N 2 1 349.519 1.870 20 0 EDADMP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730782 592287542 /nfs/dbraw/zinc/28/75/42/592287542.db2.gz ZEBZBHPRFCWTIJ-UYAOXDASSA-N 2 1 345.487 1.979 20 0 EDADMP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000903732899 592289601 /nfs/dbraw/zinc/28/96/01/592289601.db2.gz HNVCPDFUUZSEPL-VGWMRTNUSA-N 2 1 330.494 1.043 20 0 EDADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000903732899 592289603 /nfs/dbraw/zinc/28/96/03/592289603.db2.gz HNVCPDFUUZSEPL-VGWMRTNUSA-N 2 1 330.494 1.043 20 0 EDADMP c1cc2c(cc1-c1nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no1)OCC[NH2+]C2 ZINC000904638656 592300777 /nfs/dbraw/zinc/30/07/77/592300777.db2.gz QOAZWQAVZNBVKW-GDBMZVCRSA-N 2 1 342.399 1.754 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903741222 592303544 /nfs/dbraw/zinc/30/35/44/592303544.db2.gz ONSRJWFBPJGSGO-RTBURBONSA-N 2 1 338.540 1.103 20 0 EDADMP CC(=O)Nc1cccc2c1C[N@@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903777384 592319375 /nfs/dbraw/zinc/31/93/75/592319375.db2.gz AVUNPHIAXQURAM-APWZRJJASA-N 2 1 329.444 1.772 20 0 EDADMP NC(=O)c1c[nH]nc1[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779826 592320391 /nfs/dbraw/zinc/32/03/91/592320391.db2.gz BPWIWWBRRQIGGM-HIFRSBDPSA-N 2 1 347.463 1.194 20 0 EDADMP NC(=O)c1c[nH]nc1[C@@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779826 592320396 /nfs/dbraw/zinc/32/03/96/592320396.db2.gz BPWIWWBRRQIGGM-HIFRSBDPSA-N 2 1 347.463 1.194 20 0 EDADMP COc1ccccc1N1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000903830091 592336469 /nfs/dbraw/zinc/33/64/69/592336469.db2.gz SGCLEKNQUCUJKB-MRXNPFEDSA-N 2 1 331.460 1.586 20 0 EDADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCN(CCn2cccn2)CC1 ZINC000903891655 592352581 /nfs/dbraw/zinc/35/25/81/592352581.db2.gz NCJDRBDLFNKRJD-AYHJJNSGSA-N 2 1 331.508 1.810 20 0 EDADMP Cc1nc(CN2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)CC2)no1 ZINC000903873806 592355796 /nfs/dbraw/zinc/35/57/96/592355796.db2.gz XZLKACCEBKLNCV-UHFFFAOYSA-N 2 1 341.459 1.732 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cnn1C ZINC000903914396 592364736 /nfs/dbraw/zinc/36/47/36/592364736.db2.gz UMVWXBLGYZOWCT-CCKFTAQKSA-N 2 1 346.450 1.793 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cnn1C ZINC000903914396 592364740 /nfs/dbraw/zinc/36/47/40/592364740.db2.gz UMVWXBLGYZOWCT-CCKFTAQKSA-N 2 1 346.450 1.793 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](NC(=O)C(C)(C)C)C2)cnn1C ZINC000903892891 592365558 /nfs/dbraw/zinc/36/55/58/592365558.db2.gz XPWPZMLRKKDCSH-DOTOQJQBSA-N 2 1 349.523 1.473 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@@H](NC(=O)C(C)(C)C)C2)cnn1C ZINC000903892891 592365559 /nfs/dbraw/zinc/36/55/59/592365559.db2.gz XPWPZMLRKKDCSH-DOTOQJQBSA-N 2 1 349.523 1.473 20 0 EDADMP Cn1ccnc1[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCN1C ZINC000903913595 592375601 /nfs/dbraw/zinc/37/56/01/592375601.db2.gz PURPZEKOJOTEFD-GOSISDBHSA-N 2 1 325.460 1.555 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCOc3cc(N)ccc3C2)cnn1C ZINC000903937366 592387589 /nfs/dbraw/zinc/38/75/89/592387589.db2.gz JFYGFTADVNYKPO-CQSZACIVSA-N 2 1 329.448 1.323 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCOc3cc(N)ccc3C2)cnn1C ZINC000903937366 592387593 /nfs/dbraw/zinc/38/75/93/592387593.db2.gz JFYGFTADVNYKPO-CQSZACIVSA-N 2 1 329.448 1.323 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCN(C(=O)CC(C)C)CC2)cnn1C ZINC000903937758 592387673 /nfs/dbraw/zinc/38/76/73/592387673.db2.gz QVGCJSSMIGFMAS-KRWDZBQOSA-N 2 1 349.523 1.426 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)cnn1C ZINC000903937758 592387678 /nfs/dbraw/zinc/38/76/78/592387678.db2.gz QVGCJSSMIGFMAS-KRWDZBQOSA-N 2 1 349.523 1.426 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917499 592390174 /nfs/dbraw/zinc/39/01/74/592390174.db2.gz MNOXBSBZMQEGCB-KZNAEPCWSA-N 3 1 333.524 1.558 20 0 EDADMP FC(F)(F)CN1CCC([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903972002 592397782 /nfs/dbraw/zinc/39/77/82/592397782.db2.gz FLRPLGFGBWHHHE-CQSZACIVSA-N 2 1 335.414 1.761 20 0 EDADMP CCOC(=O)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)o1 ZINC000903977155 592399382 /nfs/dbraw/zinc/39/93/82/592399382.db2.gz KQYRZATZHDRMAV-JKDFXYPNSA-N 2 1 336.388 1.169 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905122253 592417047 /nfs/dbraw/zinc/41/70/47/592417047.db2.gz LJBAODLPHWPIJY-UXPWSPDFSA-N 2 1 348.487 1.704 20 0 EDADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C(F)F ZINC000905360296 592506793 /nfs/dbraw/zinc/50/67/93/592506793.db2.gz LYIXAHQVNLTPHD-INMHGKMJSA-N 2 1 328.403 1.475 20 0 EDADMP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C(F)F ZINC000905360296 592506795 /nfs/dbraw/zinc/50/67/95/592506795.db2.gz LYIXAHQVNLTPHD-INMHGKMJSA-N 2 1 328.403 1.475 20 0 EDADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)CC2 ZINC000908505743 592523998 /nfs/dbraw/zinc/52/39/98/592523998.db2.gz LWYRDQRTUAWZKG-SJLPKXTDSA-N 2 1 337.508 1.555 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000905622549 592588659 /nfs/dbraw/zinc/58/86/59/592588659.db2.gz CQZPJZMTTSLDDY-IJEWVQPXSA-N 2 1 341.496 1.725 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000905622549 592588661 /nfs/dbraw/zinc/58/86/61/592588661.db2.gz CQZPJZMTTSLDDY-IJEWVQPXSA-N 2 1 341.496 1.725 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=S)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000905634038 592592115 /nfs/dbraw/zinc/59/21/15/592592115.db2.gz OBNXYSHWADXUAN-KBPBESRZSA-N 2 1 344.594 1.618 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)CNC[C@H]1CC[NH+]1C1CCOCC1 ZINC000905618190 592595534 /nfs/dbraw/zinc/59/55/34/592595534.db2.gz GTQOZHYJVSTLCK-UXHICEINSA-N 2 1 347.503 1.322 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@@H](O)CNC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000905618190 592595537 /nfs/dbraw/zinc/59/55/37/592595537.db2.gz GTQOZHYJVSTLCK-UXHICEINSA-N 2 1 347.503 1.322 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@@H](O)CNC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000905618190 592595538 /nfs/dbraw/zinc/59/55/38/592595538.db2.gz GTQOZHYJVSTLCK-UXHICEINSA-N 2 1 347.503 1.322 20 0 EDADMP C[NH+](C)CCOc1ccc(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cc1F ZINC000909930204 592722731 /nfs/dbraw/zinc/72/27/31/592722731.db2.gz QMGZOMSLFMEUGW-DYVFJYSZSA-N 2 1 339.411 1.160 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](CCO)C(C)C)CC2)CC[N@H+]1C ZINC000910876867 592899530 /nfs/dbraw/zinc/89/95/30/592899530.db2.gz ZWGKUVFVJJLGSI-ZWKOTPCHSA-N 2 1 339.524 1.658 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[N@H+](CCO)C(C)C)CC2)CC[NH+]1C ZINC000910876867 592899531 /nfs/dbraw/zinc/89/95/31/592899531.db2.gz ZWGKUVFVJJLGSI-ZWKOTPCHSA-N 2 1 339.524 1.658 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[N@@H+](CCO)C(C)C)CC2)CC[NH+]1C ZINC000910876867 592899532 /nfs/dbraw/zinc/89/95/32/592899532.db2.gz ZWGKUVFVJJLGSI-ZWKOTPCHSA-N 2 1 339.524 1.658 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000911729178 592990105 /nfs/dbraw/zinc/99/01/05/592990105.db2.gz DKCSNMWRZFZOTK-JOYOIKCWSA-N 2 1 328.210 1.017 20 0 EDADMP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000911925698 593034284 /nfs/dbraw/zinc/03/42/84/593034284.db2.gz LHZAGBCRAHXQBC-WMZOPIPTSA-N 2 1 326.400 1.641 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000911925698 593034285 /nfs/dbraw/zinc/03/42/85/593034285.db2.gz LHZAGBCRAHXQBC-WMZOPIPTSA-N 2 1 326.400 1.641 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)C1 ZINC000912594925 593107059 /nfs/dbraw/zinc/10/70/59/593107059.db2.gz JLFCHLQANDBVSP-KRWDZBQOSA-N 2 1 339.524 1.708 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000838905250 593229599 /nfs/dbraw/zinc/22/95/99/593229599.db2.gz QPIZXVNYAPSZTN-JKIFEVAISA-N 2 1 328.428 1.605 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000838905250 593229601 /nfs/dbraw/zinc/22/96/01/593229601.db2.gz QPIZXVNYAPSZTN-JKIFEVAISA-N 2 1 328.428 1.605 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cc1 ZINC000808156144 593229671 /nfs/dbraw/zinc/22/96/71/593229671.db2.gz BCEZKOOFBNCTAS-MOPGFXCFSA-N 2 1 345.487 1.810 20 0 EDADMP C[C@H]1C[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C[C@@H]1C ZINC000840017485 593371075 /nfs/dbraw/zinc/37/10/75/593371075.db2.gz ZEDWDFFQPAHLGG-UOVPBQLFSA-N 2 1 341.455 1.649 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000810407508 593399463 /nfs/dbraw/zinc/39/94/63/593399463.db2.gz SWOYVVZGMMBFMB-CRAIPNDOSA-N 2 1 346.475 1.514 20 0 EDADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810434205 593401491 /nfs/dbraw/zinc/40/14/91/593401491.db2.gz WHBHXEHAZYSOOW-QAPCUYQASA-N 2 1 343.487 1.768 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=S)NCC(C)(C)C[NH+](C)C)CCCO1 ZINC000761548919 593417647 /nfs/dbraw/zinc/41/76/47/593417647.db2.gz KTQNPKVLPFLYRT-HNNXBMFYSA-N 2 1 344.569 1.539 20 0 EDADMP CCCN(CC[NH+]1CCCCCC1)C(=O)CC[NH+]1CCOCC1 ZINC000811543037 593473098 /nfs/dbraw/zinc/47/30/98/593473098.db2.gz MSEHZYFCKXISMQ-UHFFFAOYSA-N 2 1 325.497 1.823 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834295 593510360 /nfs/dbraw/zinc/51/03/60/593510360.db2.gz BQJXBIPEKNSQEC-HOTGVXAUSA-N 2 1 341.496 1.678 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834295 593510361 /nfs/dbraw/zinc/51/03/61/593510361.db2.gz BQJXBIPEKNSQEC-HOTGVXAUSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+](C)CCNC(=S)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819024373 593734496 /nfs/dbraw/zinc/73/44/96/593734496.db2.gz OTHGSRMYUSZLSA-DLBZAZTESA-N 2 1 332.517 1.629 20 0 EDADMP COC(=O)[C@@]1(NC(=O)[C@@H](C)[NH+](C)C)CCC[N@H+](Cc2ccccc2)C1 ZINC000820756975 593883231 /nfs/dbraw/zinc/88/32/31/593883231.db2.gz WYTCUAYJDDZRII-DNVCBOLYSA-N 2 1 347.459 1.261 20 0 EDADMP COC(=O)[C@@]1(NC(=O)[C@@H](C)[NH+](C)C)CCC[N@@H+](Cc2ccccc2)C1 ZINC000820756975 593883234 /nfs/dbraw/zinc/88/32/34/593883234.db2.gz WYTCUAYJDDZRII-DNVCBOLYSA-N 2 1 347.459 1.261 20 0 EDADMP O=C1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCN1CC(F)(F)F ZINC000820814205 593895630 /nfs/dbraw/zinc/89/56/30/593895630.db2.gz GOTSBTTUTRXZSE-VWPFFFCUSA-N 2 1 331.382 1.897 20 0 EDADMP O=C1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCN1CC(F)(F)F ZINC000820814205 593895632 /nfs/dbraw/zinc/89/56/32/593895632.db2.gz GOTSBTTUTRXZSE-VWPFFFCUSA-N 2 1 331.382 1.897 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821087931 593962514 /nfs/dbraw/zinc/96/25/14/593962514.db2.gz HXSIOBKPHWOYEQ-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000824584784 594042837 /nfs/dbraw/zinc/04/28/37/594042837.db2.gz HFWHWWAUFPMDCD-PBHICJAKSA-N 2 1 344.463 1.754 20 0 EDADMP C[NH+](C)CCOc1ccc(CCC(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000827626275 594247263 /nfs/dbraw/zinc/24/72/63/594247263.db2.gz UYXVRUNVNLUNRP-KRWDZBQOSA-N 2 1 333.476 1.770 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000831173939 594574780 /nfs/dbraw/zinc/57/47/80/594574780.db2.gz UPHNGEBZUIIJLA-OAHLLOKOSA-N 2 1 340.431 1.517 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000827080448 594636156 /nfs/dbraw/zinc/63/61/56/594636156.db2.gz CAUQLLJBUSTJSM-SFHVURJKSA-N 2 1 330.476 1.178 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000827091430 594638556 /nfs/dbraw/zinc/63/85/56/594638556.db2.gz WMHAUZSMZIAFMS-YESZJQIVSA-N 2 1 342.528 1.857 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000827091430 594638559 /nfs/dbraw/zinc/63/85/59/594638559.db2.gz WMHAUZSMZIAFMS-YESZJQIVSA-N 2 1 342.528 1.857 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000827091430 594638560 /nfs/dbraw/zinc/63/85/60/594638560.db2.gz WMHAUZSMZIAFMS-YESZJQIVSA-N 2 1 342.528 1.857 20 0 EDADMP C[C@H](CNC(=O)Nc1cccc(OCC[NH3+])c1)C[NH+]1CCOCC1 ZINC000841288447 594882007 /nfs/dbraw/zinc/88/20/07/594882007.db2.gz WMTDRBFAGPGDKQ-CQSZACIVSA-N 2 1 336.436 1.114 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000841310633 594883753 /nfs/dbraw/zinc/88/37/53/594883753.db2.gz GPZKCZQDFXGKML-CVEARBPZSA-N 2 1 332.448 1.781 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000843346905 595081922 /nfs/dbraw/zinc/08/19/22/595081922.db2.gz KXUOUOHXHLWHRC-LLVKDONJSA-N 2 1 331.247 1.675 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000843346905 595081925 /nfs/dbraw/zinc/08/19/25/595081925.db2.gz KXUOUOHXHLWHRC-LLVKDONJSA-N 2 1 331.247 1.675 20 0 EDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)NC(=O)NCC(F)(F)F ZINC000843361040 595087485 /nfs/dbraw/zinc/08/74/85/595087485.db2.gz RVUSTDWOTWHLLG-FGWVZKOKSA-N 2 1 336.358 1.109 20 0 EDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)NC(=O)NCC(F)(F)F ZINC000843361040 595087488 /nfs/dbraw/zinc/08/74/88/595087488.db2.gz RVUSTDWOTWHLLG-FGWVZKOKSA-N 2 1 336.358 1.109 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(O)cc2)C1 ZINC000846227239 595179442 /nfs/dbraw/zinc/17/94/42/595179442.db2.gz KSMHKVSVWKRYPL-XOKHGSTOSA-N 2 1 333.432 1.692 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(O)cc2)C1 ZINC000846227239 595179446 /nfs/dbraw/zinc/17/94/46/595179446.db2.gz KSMHKVSVWKRYPL-XOKHGSTOSA-N 2 1 333.432 1.692 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1)[C@H]1CCC[NH2+]1 ZINC000843057061 595276223 /nfs/dbraw/zinc/27/62/23/595276223.db2.gz FWUVIICZEJKYSK-VQIMIIECSA-N 2 1 343.471 1.797 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844166056 595288963 /nfs/dbraw/zinc/28/89/63/595288963.db2.gz YGCXBWMPXZRMTM-SFHVURJKSA-N 2 1 331.460 1.408 20 0 EDADMP CN1c2ccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cc2CCC1=O ZINC000843124682 595292710 /nfs/dbraw/zinc/29/27/10/595292710.db2.gz JNRRLSXOHDAQLH-KRWDZBQOSA-N 2 1 328.460 1.075 20 0 EDADMP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000844178205 595293674 /nfs/dbraw/zinc/29/36/74/595293674.db2.gz WJJLBYPRVBLAAT-RBUKOAKNSA-N 2 1 345.487 1.926 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844186054 595296078 /nfs/dbraw/zinc/29/60/78/595296078.db2.gz FGEPNDTZKQYXGR-BHIYHBOVSA-N 2 1 345.487 1.782 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NOCCCOC)CC2)CC1 ZINC000848069564 595314885 /nfs/dbraw/zinc/31/48/85/595314885.db2.gz WSSQZTPNMRBKOT-UHFFFAOYSA-N 2 1 327.469 1.267 20 0 EDADMP OC[C@H](C[C@H](O)c1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848535523 595403445 /nfs/dbraw/zinc/40/34/45/595403445.db2.gz DEIRWUUDSZYCOU-ZCNNSNEGSA-N 2 1 348.487 1.704 20 0 EDADMP CCOC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000848545823 595404053 /nfs/dbraw/zinc/40/40/53/595404053.db2.gz LAGQCCKUIFHBOP-CVEARBPZSA-N 2 1 325.453 1.450 20 0 EDADMP COC(=O)/C=C\c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000848908695 595465609 /nfs/dbraw/zinc/46/56/09/595465609.db2.gz BENRLSYJFRZWSW-FPLPWBNLSA-N 2 1 335.448 1.581 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])NC[C@@H]3CCCO3)c2)CCO1 ZINC000849014587 595474829 /nfs/dbraw/zinc/47/48/29/595474829.db2.gz WLEDKDQCFUUQFH-YJBOKZPZSA-N 2 1 346.475 1.700 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])NC[C@@H]3CCCO3)c2)CCO1 ZINC000849014587 595474832 /nfs/dbraw/zinc/47/48/32/595474832.db2.gz WLEDKDQCFUUQFH-YJBOKZPZSA-N 2 1 346.475 1.700 20 0 EDADMP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000849072803 595477941 /nfs/dbraw/zinc/47/79/41/595477941.db2.gz IBXRPRZAVOPLBI-HNNXBMFYSA-N 2 1 331.464 1.827 20 0 EDADMP Cc1ccc2[nH]c(CNC(=[NH2+])NCCC[NH+]3CCOCC3)nc2c1 ZINC000849096807 595481296 /nfs/dbraw/zinc/48/12/96/595481296.db2.gz XEJSMSYRMBDNLK-UHFFFAOYSA-N 2 1 330.436 1.208 20 0 EDADMP CC(C)(C)c1ccncc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849116246 595484417 /nfs/dbraw/zinc/48/44/17/595484417.db2.gz KGUWMXUVTSYVDN-UHFFFAOYSA-N 2 1 333.480 1.715 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1 ZINC000847846196 595491222 /nfs/dbraw/zinc/49/12/22/595491222.db2.gz HZXJFRHJNCVDJY-UHFFFAOYSA-N 2 1 333.476 1.319 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1 ZINC000847846196 595491224 /nfs/dbraw/zinc/49/12/24/595491224.db2.gz HZXJFRHJNCVDJY-UHFFFAOYSA-N 2 1 333.476 1.319 20 0 EDADMP C[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)CC(C)(C)[NH3+] ZINC000852753516 595526849 /nfs/dbraw/zinc/52/68/49/595526849.db2.gz CNAOSVNUAZNLCF-UHFFFAOYSA-N 2 1 334.464 1.521 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)CC(C)(C)[NH3+] ZINC000852753516 595526851 /nfs/dbraw/zinc/52/68/51/595526851.db2.gz CNAOSVNUAZNLCF-UHFFFAOYSA-N 2 1 334.464 1.521 20 0 EDADMP COC(=O)Cc1ccccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852761690 595531898 /nfs/dbraw/zinc/53/18/98/595531898.db2.gz ZMDBZFTYYCVTTF-GOSISDBHSA-N 2 1 334.460 1.945 20 0 EDADMP COC(=O)Cc1ccccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852761690 595531901 /nfs/dbraw/zinc/53/19/01/595531901.db2.gz ZMDBZFTYYCVTTF-GOSISDBHSA-N 2 1 334.460 1.945 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849486028 595548013 /nfs/dbraw/zinc/54/80/13/595548013.db2.gz DOMKBQWYWKPQQF-ROUUACIJSA-N 2 1 347.507 1.446 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849527051 595558359 /nfs/dbraw/zinc/55/83/59/595558359.db2.gz UFUGDBPOCCCGEG-DLBZAZTESA-N 2 1 333.480 1.010 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849527051 595558362 /nfs/dbraw/zinc/55/83/62/595558362.db2.gz UFUGDBPOCCCGEG-DLBZAZTESA-N 2 1 333.480 1.010 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849527051 595558365 /nfs/dbraw/zinc/55/83/65/595558365.db2.gz UFUGDBPOCCCGEG-DLBZAZTESA-N 2 1 333.480 1.010 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1)C(C)C ZINC000849541674 595560489 /nfs/dbraw/zinc/56/04/89/595560489.db2.gz QMJQPUSSKNZNAC-SJORKVTESA-N 2 1 335.496 1.302 20 0 EDADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C(C)C ZINC000849541674 595560492 /nfs/dbraw/zinc/56/04/92/595560492.db2.gz QMJQPUSSKNZNAC-SJORKVTESA-N 2 1 335.496 1.302 20 0 EDADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)C(C)C ZINC000849541674 595560495 /nfs/dbraw/zinc/56/04/95/595560495.db2.gz QMJQPUSSKNZNAC-SJORKVTESA-N 2 1 335.496 1.302 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852858278 595579941 /nfs/dbraw/zinc/57/99/41/595579941.db2.gz WUKTWTQECWADQZ-PBHICJAKSA-N 2 1 344.459 1.781 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)cn1 ZINC000849608592 595593837 /nfs/dbraw/zinc/59/38/37/595593837.db2.gz QVNIHBSHGXVEON-IKGGRYGDSA-N 2 1 347.507 1.444 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1 ZINC000849608592 595593839 /nfs/dbraw/zinc/59/38/39/595593839.db2.gz QVNIHBSHGXVEON-IKGGRYGDSA-N 2 1 347.507 1.444 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1 ZINC000849608592 595593841 /nfs/dbraw/zinc/59/38/41/595593841.db2.gz QVNIHBSHGXVEON-IKGGRYGDSA-N 2 1 347.507 1.444 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc[nH+]c(CO)c1 ZINC000858415183 595789300 /nfs/dbraw/zinc/78/93/00/595789300.db2.gz UQRPUARGSFLYAF-OAHLLOKOSA-N 2 1 327.432 1.592 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000853683614 595854306 /nfs/dbraw/zinc/85/43/06/595854306.db2.gz UVYGZLIAFNNEGY-GJZGRUSLSA-N 2 1 326.485 1.269 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000853683614 595854307 /nfs/dbraw/zinc/85/43/07/595854307.db2.gz UVYGZLIAFNNEGY-GJZGRUSLSA-N 2 1 326.485 1.269 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000853683614 595854308 /nfs/dbraw/zinc/85/43/08/595854308.db2.gz UVYGZLIAFNNEGY-GJZGRUSLSA-N 2 1 326.485 1.269 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000851825527 595937409 /nfs/dbraw/zinc/93/74/09/595937409.db2.gz KBOGOIMBKCQEKU-HOTGVXAUSA-N 2 1 334.464 1.433 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000851825527 595937414 /nfs/dbraw/zinc/93/74/14/595937414.db2.gz KBOGOIMBKCQEKU-HOTGVXAUSA-N 2 1 334.464 1.433 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000851825527 595937417 /nfs/dbraw/zinc/93/74/17/595937417.db2.gz KBOGOIMBKCQEKU-HOTGVXAUSA-N 2 1 334.464 1.433 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000851825527 595937421 /nfs/dbraw/zinc/93/74/21/595937421.db2.gz KBOGOIMBKCQEKU-HOTGVXAUSA-N 2 1 334.464 1.433 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)COC2CCOCC2)cc1 ZINC000859214742 596006112 /nfs/dbraw/zinc/00/61/12/596006112.db2.gz MXZZUMLLVTWRCZ-GOSISDBHSA-N 2 1 336.476 1.737 20 0 EDADMP O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000854224455 596007413 /nfs/dbraw/zinc/00/74/13/596007413.db2.gz XNTWIOCHRDGMET-JHJVBQTASA-N 2 1 342.427 1.864 20 0 EDADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H]3CCN(C)C3=O)C2)ccn1 ZINC000856599175 596030242 /nfs/dbraw/zinc/03/02/42/596030242.db2.gz GHLIYYYOYPVLJU-ZWKOTPCHSA-N 2 1 346.475 1.606 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H]3CCN(C)C3=O)C2)ccn1 ZINC000856599175 596030246 /nfs/dbraw/zinc/03/02/46/596030246.db2.gz GHLIYYYOYPVLJU-ZWKOTPCHSA-N 2 1 346.475 1.606 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)ccn1 ZINC000856599175 596030250 /nfs/dbraw/zinc/03/02/50/596030250.db2.gz GHLIYYYOYPVLJU-ZWKOTPCHSA-N 2 1 346.475 1.606 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)ccn1 ZINC000856599175 596030254 /nfs/dbraw/zinc/03/02/54/596030254.db2.gz GHLIYYYOYPVLJU-ZWKOTPCHSA-N 2 1 346.475 1.606 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[S@@](C)=O)C2)ccn1 ZINC000856603763 596031740 /nfs/dbraw/zinc/03/17/40/596031740.db2.gz FPMBCHKADOAASA-GAJHUEQPSA-N 2 1 339.505 1.753 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC[S@@](C)=O)C2)ccn1 ZINC000856603763 596031743 /nfs/dbraw/zinc/03/17/43/596031743.db2.gz FPMBCHKADOAASA-GAJHUEQPSA-N 2 1 339.505 1.753 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC[S@@](C)=O)C2)ccn1 ZINC000856603763 596031747 /nfs/dbraw/zinc/03/17/47/596031747.db2.gz FPMBCHKADOAASA-GAJHUEQPSA-N 2 1 339.505 1.753 20 0 EDADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856635426 596041135 /nfs/dbraw/zinc/04/11/35/596041135.db2.gz RZGGTOVQCVVVAZ-GOSISDBHSA-N 2 1 348.491 1.855 20 0 EDADMP CCC[NH+](C)CC(=O)N1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856635426 596041136 /nfs/dbraw/zinc/04/11/36/596041136.db2.gz RZGGTOVQCVVVAZ-GOSISDBHSA-N 2 1 348.491 1.855 20 0 EDADMP CCC[NH+](C)CC(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856635426 596041139 /nfs/dbraw/zinc/04/11/39/596041139.db2.gz RZGGTOVQCVVVAZ-GOSISDBHSA-N 2 1 348.491 1.855 20 0 EDADMP C[N@H+]1C[C@H](C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000861773384 596097960 /nfs/dbraw/zinc/09/79/60/596097960.db2.gz CKVWCTDYGWQHJK-MANSERQUSA-N 2 1 327.472 1.742 20 0 EDADMP C[NH+]1C[C@H](C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000861773384 596097964 /nfs/dbraw/zinc/09/79/64/596097964.db2.gz CKVWCTDYGWQHJK-MANSERQUSA-N 2 1 327.472 1.742 20 0 EDADMP C[NH+]1C[C@H](C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000861773384 596097967 /nfs/dbraw/zinc/09/79/67/596097967.db2.gz CKVWCTDYGWQHJK-MANSERQUSA-N 2 1 327.472 1.742 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000857110936 596159804 /nfs/dbraw/zinc/15/98/04/596159804.db2.gz XGSXAHYDANLVDC-MAUKXSAKSA-N 2 1 334.464 1.002 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)CC[N@H+]1C ZINC000866520529 596238868 /nfs/dbraw/zinc/23/88/68/596238868.db2.gz DRCJXRYRFANFJV-CZUORRHYSA-N 2 1 330.432 1.311 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868626915 596251052 /nfs/dbraw/zinc/25/10/52/596251052.db2.gz OZXDMMLNIMNNQG-MRXNPFEDSA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702506 596299969 /nfs/dbraw/zinc/29/99/69/596299969.db2.gz BRLZLGBCBRLYBJ-GUYCJALGSA-N 2 1 326.485 1.554 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702506 596299971 /nfs/dbraw/zinc/29/99/71/596299971.db2.gz BRLZLGBCBRLYBJ-GUYCJALGSA-N 2 1 326.485 1.554 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000866708051 596303434 /nfs/dbraw/zinc/30/34/34/596303434.db2.gz CNDCPBBFHGNZOY-XOYOTBSWSA-N 2 1 327.428 1.931 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)CC[C@@H]21 ZINC000868791474 596307516 /nfs/dbraw/zinc/30/75/16/596307516.db2.gz QHWFEJSAOCIUQM-QYZOEREBSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)CC[C@@H]21 ZINC000868791474 596307518 /nfs/dbraw/zinc/30/75/18/596307518.db2.gz QHWFEJSAOCIUQM-QYZOEREBSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)CC[C@@H]21 ZINC000868791474 596307523 /nfs/dbraw/zinc/30/75/23/596307523.db2.gz QHWFEJSAOCIUQM-QYZOEREBSA-N 2 1 342.487 1.997 20 0 EDADMP Cc1nc(CN2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)[nH]c1C ZINC000862358467 596308545 /nfs/dbraw/zinc/30/85/45/596308545.db2.gz IVIAGYHDDAJZIC-CQSZACIVSA-N 2 1 337.468 1.667 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H](N)c2cccc(Br)c2)C1 ZINC000870871828 596384502 /nfs/dbraw/zinc/38/45/02/596384502.db2.gz QIAIYLSJEDGAIL-STQMWFEESA-N 2 1 326.238 1.659 20 0 EDADMP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870871828 596384507 /nfs/dbraw/zinc/38/45/07/596384507.db2.gz QIAIYLSJEDGAIL-STQMWFEESA-N 2 1 326.238 1.659 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2csc(C3CC[NH2+]CC3)n2)C1 ZINC000870883814 596388888 /nfs/dbraw/zinc/38/88/88/596388888.db2.gz GQXWDJHXWOCSEA-ZDUSSCGKSA-N 2 1 338.477 1.061 20 0 EDADMP C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000870892623 596392865 /nfs/dbraw/zinc/39/28/65/596392865.db2.gz WHIFOZLCMFXFNN-XMUPAAEVSA-N 2 1 343.471 1.520 20 0 EDADMP C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000870892623 596392868 /nfs/dbraw/zinc/39/28/68/596392868.db2.gz WHIFOZLCMFXFNN-XMUPAAEVSA-N 2 1 343.471 1.520 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2cccnc2-n2cc[nH+]c2C)CC[N@@H+]1C ZINC000864979107 596434146 /nfs/dbraw/zinc/43/41/46/596434146.db2.gz FQIXKJGYPCHZEF-JKSUJKDBSA-N 2 1 327.432 1.922 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2cccnc2-n2cc[nH+]c2C)CC[N@H+]1C ZINC000864979107 596434147 /nfs/dbraw/zinc/43/41/47/596434147.db2.gz FQIXKJGYPCHZEF-JKSUJKDBSA-N 2 1 327.432 1.922 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CCCN(CC(F)F)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190903 596441086 /nfs/dbraw/zinc/44/10/86/596441086.db2.gz WDNQWAYDVNNAAI-XQLPTFJDSA-N 2 1 347.450 1.577 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CCCN(CC(F)F)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190903 596441089 /nfs/dbraw/zinc/44/10/89/596441089.db2.gz WDNQWAYDVNNAAI-XQLPTFJDSA-N 2 1 347.450 1.577 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Cn1ccc(C)n1 ZINC000865090020 596470613 /nfs/dbraw/zinc/47/06/13/596470613.db2.gz VSUGOBKOSQRAML-AEFFLSMTSA-N 2 1 349.523 1.702 20 0 EDADMP Cn1ncc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cnc21 ZINC000865462680 596582649 /nfs/dbraw/zinc/58/26/49/596582649.db2.gz PIFJFPXHQSCUQR-QGZVFWFLSA-N 2 1 329.448 1.701 20 0 EDADMP CC(=O)NCC1CCC([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000865544227 596606619 /nfs/dbraw/zinc/60/66/19/596606619.db2.gz MOYPMSNMSQOMQS-FAEJEUNOSA-N 2 1 325.497 1.772 20 0 EDADMP CC(=O)NCC1CCC([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000865544227 596606620 /nfs/dbraw/zinc/60/66/20/596606620.db2.gz MOYPMSNMSQOMQS-FAEJEUNOSA-N 2 1 325.497 1.772 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000863555933 596617756 /nfs/dbraw/zinc/61/77/56/596617756.db2.gz KGVOLZAYNUJLMT-IBGZPJMESA-N 2 1 332.492 1.697 20 0 EDADMP CC(C)(O)C[N@H+]1CCc2c(cccc2NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000863559403 596618329 /nfs/dbraw/zinc/61/83/29/596618329.db2.gz MZMJQUPWOVKNMG-QGZVFWFLSA-N 2 1 347.503 1.684 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000863652296 596644840 /nfs/dbraw/zinc/64/48/40/596644840.db2.gz VUTMNIQRDHZOFH-HNNXBMFYSA-N 2 1 338.521 1.795 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3nccn3CC(F)(F)F)CC[C@@H]21 ZINC000868219957 596731766 /nfs/dbraw/zinc/73/17/66/596731766.db2.gz ODAGHHQMZDIFJO-NEPJUHHUSA-N 2 1 345.369 1.681 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000868226434 596734912 /nfs/dbraw/zinc/73/49/12/596734912.db2.gz BYVKFPZUFKEFDI-HZMVEIRTSA-N 2 1 342.443 1.183 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868230361 596736893 /nfs/dbraw/zinc/73/68/93/596736893.db2.gz ZLMNQCVGIUQCFE-VBNZEHGJSA-N 2 1 332.448 1.286 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000864094129 596753420 /nfs/dbraw/zinc/75/34/20/596753420.db2.gz GPUXZYWQCFEQSF-UHFFFAOYSA-N 2 1 330.274 1.289 20 0 EDADMP COc1ccc([C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[NH2+]2)cc1 ZINC000870143171 596769663 /nfs/dbraw/zinc/76/96/63/596769663.db2.gz QRMRXJOJCBCBHP-GOSISDBHSA-N 2 1 331.460 1.900 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2scnc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000872143731 596809123 /nfs/dbraw/zinc/80/91/23/596809123.db2.gz QAFUQYOZLNKFJW-NWDGAFQWSA-N 2 1 342.896 1.877 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2scnc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000872143731 596809126 /nfs/dbraw/zinc/80/91/26/596809126.db2.gz QAFUQYOZLNKFJW-NWDGAFQWSA-N 2 1 342.896 1.877 20 0 EDADMP CC(C)(C)S(=O)(=O)CCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000872145773 596809896 /nfs/dbraw/zinc/80/98/96/596809896.db2.gz XZRAMSMKRPEGBO-INIZCTEOSA-N 2 1 346.537 1.680 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000872152998 596814187 /nfs/dbraw/zinc/81/41/87/596814187.db2.gz XSYMBWBKOLMTIF-GJZGRUSLSA-N 3 1 336.446 1.472 20 0 EDADMP CC(C)[NH+]1CCN(CCCN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000872152998 596814189 /nfs/dbraw/zinc/81/41/89/596814189.db2.gz XSYMBWBKOLMTIF-GJZGRUSLSA-N 2 1 336.446 1.472 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000872254767 596855903 /nfs/dbraw/zinc/85/59/03/596855903.db2.gz CYISDNMDEUUCQY-NHUAKYFASA-N 2 1 349.381 1.845 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000872254767 596855904 /nfs/dbraw/zinc/85/59/04/596855904.db2.gz CYISDNMDEUUCQY-NHUAKYFASA-N 2 1 349.381 1.845 20 0 EDADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257377 596857154 /nfs/dbraw/zinc/85/71/54/596857154.db2.gz QMCRQASOKSZQMR-HPBDAGMYSA-N 2 1 329.444 1.732 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000866413167 596880192 /nfs/dbraw/zinc/88/01/92/596880192.db2.gz OUZISKMIECLYQV-IRXDYDNUSA-N 2 1 325.497 1.065 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3C[C@@H]4CCC[C@H]4O3)cn2)CC1 ZINC000873157177 597213712 /nfs/dbraw/zinc/21/37/12/597213712.db2.gz SSHGQQZLZNRRBI-YESZJQIVSA-N 2 1 331.464 1.276 20 0 EDADMP NC(=O)Cc1cccc2c1CC[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000873215861 597230363 /nfs/dbraw/zinc/23/03/63/597230363.db2.gz FWLUFKUNQWTKMT-UHFFFAOYSA-N 2 1 341.480 1.980 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@]3(CCc4ccccc43)C2)C1 ZINC000873226971 597234167 /nfs/dbraw/zinc/23/41/67/597234167.db2.gz FIVJRIONEOWQRQ-OXJNMPFZSA-N 2 1 327.472 1.774 20 0 EDADMP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000873247683 597239430 /nfs/dbraw/zinc/23/94/30/597239430.db2.gz RUPXDUXGLPHPHI-NVXWUHKLSA-N 3 1 326.448 1.442 20 0 EDADMP [NH3+]Cc1cn(-c2cccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000873247683 597239433 /nfs/dbraw/zinc/23/94/33/597239433.db2.gz RUPXDUXGLPHPHI-NVXWUHKLSA-N 2 1 326.448 1.442 20 0 EDADMP [NH3+]Cc1cn(-c2cccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000873247683 597239436 /nfs/dbraw/zinc/23/94/36/597239436.db2.gz RUPXDUXGLPHPHI-NVXWUHKLSA-N 2 1 326.448 1.442 20 0 EDADMP Cc1ccc2nc(CNC(=O)N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)cn2c1 ZINC000875133151 597295771 /nfs/dbraw/zinc/29/57/71/597295771.db2.gz YIPWAIJYPNSKAY-ZBFHGGJFSA-N 2 1 327.432 1.878 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)[NH+]1CCOCC1 ZINC000876716770 597302315 /nfs/dbraw/zinc/30/23/15/597302315.db2.gz MYNCBCNGOMKXDC-JYJNAYRXSA-N 2 1 325.497 1.613 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000875266395 597359483 /nfs/dbraw/zinc/35/94/83/597359483.db2.gz UQIYWBOXAPGSMD-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000875266395 597359484 /nfs/dbraw/zinc/35/94/84/597359484.db2.gz UQIYWBOXAPGSMD-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000875266395 597359486 /nfs/dbraw/zinc/35/94/86/597359486.db2.gz UQIYWBOXAPGSMD-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875276552 597364830 /nfs/dbraw/zinc/36/48/30/597364830.db2.gz ZLPIJVGRSNUDGT-IAGOWNOFSA-N 3 1 341.544 1.099 20 0 EDADMP C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)C(C)(C)C ZINC000875302140 597376022 /nfs/dbraw/zinc/37/60/22/597376022.db2.gz LTKVKVUYPUYZKC-LSDHHAIUSA-N 2 1 342.528 1.497 20 0 EDADMP C[NH+]1CCC2(CCN(C(=O)c3cc([C@@H]4CC[NH2+]C4)[nH]n3)CC2)CC1 ZINC000877191995 597457334 /nfs/dbraw/zinc/45/73/34/597457334.db2.gz GOLKSEUUZYEYTC-CQSZACIVSA-N 2 1 331.464 1.435 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000877230209 597469817 /nfs/dbraw/zinc/46/98/17/597469817.db2.gz XZEQEJIPECOTSR-QXAKKESOSA-N 2 1 345.487 1.830 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000877230209 597469818 /nfs/dbraw/zinc/46/98/18/597469818.db2.gz XZEQEJIPECOTSR-QXAKKESOSA-N 2 1 345.487 1.830 20 0 EDADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C3=CC[C@H]([NH3+])C3)C2)c1 ZINC000877247914 597478470 /nfs/dbraw/zinc/47/84/70/597478470.db2.gz CEMXKVMIUBDXNZ-ZWKOTPCHSA-N 2 1 329.444 1.360 20 0 EDADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C3=CC[C@H]([NH3+])C3)C2)c1 ZINC000877247914 597478471 /nfs/dbraw/zinc/47/84/71/597478471.db2.gz CEMXKVMIUBDXNZ-ZWKOTPCHSA-N 2 1 329.444 1.360 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000877451917 597517273 /nfs/dbraw/zinc/51/72/73/597517273.db2.gz VZOOWLRMQSPFRF-CGTJXYLNSA-N 2 1 326.444 1.733 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000877450904 597517408 /nfs/dbraw/zinc/51/74/08/597517408.db2.gz HVDLYAKOSOEVHF-OAGGEKHMSA-N 2 1 331.464 1.425 20 0 EDADMP O=C(C[NH2+]Cc1cnc(Cl)c(F)c1)NCC[NH+]1CCCCCC1 ZINC000877549079 597534282 /nfs/dbraw/zinc/53/42/82/597534282.db2.gz YAQSKNBQHMCRPO-UHFFFAOYSA-N 2 1 342.846 1.956 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@@H+]1C ZINC000877627284 597542554 /nfs/dbraw/zinc/54/25/54/597542554.db2.gz NIMOOXJBLVYKNT-RBSFLKMASA-N 2 1 339.480 1.837 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@H+]1C ZINC000877627284 597542555 /nfs/dbraw/zinc/54/25/55/597542555.db2.gz NIMOOXJBLVYKNT-RBSFLKMASA-N 2 1 339.480 1.837 20 0 EDADMP C[N@H+](CCOc1ccccc1Cl)CC(=O)NC1CC[NH+](C)CC1 ZINC000877893982 597562423 /nfs/dbraw/zinc/56/24/23/597562423.db2.gz CONQPNAUBLOUPB-UHFFFAOYSA-N 2 1 339.867 1.861 20 0 EDADMP C[N@@H+](CCOc1ccccc1Cl)CC(=O)NC1CC[NH+](C)CC1 ZINC000877893982 597562424 /nfs/dbraw/zinc/56/24/24/597562424.db2.gz CONQPNAUBLOUPB-UHFFFAOYSA-N 2 1 339.867 1.861 20 0 EDADMP Cn1nnnc1CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000878041705 597571625 /nfs/dbraw/zinc/57/16/25/597571625.db2.gz XBDYHYWSDUGWPR-UHFFFAOYSA-N 2 1 328.464 1.597 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCC4(CCC4)O3)CC2)CC1 ZINC000878245778 597589720 /nfs/dbraw/zinc/58/97/20/597589720.db2.gz HEZGUFLVUZNRJQ-SFHVURJKSA-N 2 1 349.519 1.964 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(O)CCCC2)[C@H](C)C1 ZINC000878447078 597602585 /nfs/dbraw/zinc/60/25/85/597602585.db2.gz KWTKTYXXTPSYGH-SQNIBIBYSA-N 2 1 342.524 1.769 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(O)CCCC2)[C@@H](C)C1 ZINC000878447071 597602695 /nfs/dbraw/zinc/60/26/95/597602695.db2.gz KWTKTYXXTPSYGH-BZSNNMDCSA-N 2 1 342.524 1.769 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000883062051 597636417 /nfs/dbraw/zinc/63/64/17/597636417.db2.gz PJJBAWPIAPGQQT-RDJZCZTQSA-N 2 1 334.464 1.691 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCc3nnnn3C)C2)s1 ZINC000878574884 597639664 /nfs/dbraw/zinc/63/96/64/597639664.db2.gz XXLAFUZNTNTOIC-CQSZACIVSA-N 2 1 334.493 1.576 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCc3nnnn3C)C2)s1 ZINC000878574884 597639667 /nfs/dbraw/zinc/63/96/67/597639667.db2.gz XXLAFUZNTNTOIC-CQSZACIVSA-N 2 1 334.493 1.576 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCc3nnnn3C)C2)s1 ZINC000878574884 597639669 /nfs/dbraw/zinc/63/96/69/597639669.db2.gz XXLAFUZNTNTOIC-CQSZACIVSA-N 2 1 334.493 1.576 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCc3nnnn3C)C2)s1 ZINC000878574884 597639674 /nfs/dbraw/zinc/63/96/74/597639674.db2.gz XXLAFUZNTNTOIC-CQSZACIVSA-N 2 1 334.493 1.576 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3OC(C)(C)C2)CC1 ZINC000878625810 597659254 /nfs/dbraw/zinc/65/92/54/597659254.db2.gz FISRVQAFHRTZFY-UHFFFAOYSA-N 2 1 331.460 1.870 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3OC(C)(C)C2)CC1 ZINC000878625810 597659256 /nfs/dbraw/zinc/65/92/56/597659256.db2.gz FISRVQAFHRTZFY-UHFFFAOYSA-N 2 1 331.460 1.870 20 0 EDADMP C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883416495 597739197 /nfs/dbraw/zinc/73/91/97/597739197.db2.gz WHPTWKXKTHYULA-GJZGRUSLSA-N 2 1 329.448 1.538 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](C(C)(C)O)C1)c1ccccc1 ZINC000879963745 597786312 /nfs/dbraw/zinc/78/63/12/597786312.db2.gz NQCKQDXKJSMRJM-QZTJIDSGSA-N 2 1 347.503 1.888 20 0 EDADMP CC(C)(C[NH3+])NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883586421 597815015 /nfs/dbraw/zinc/81/50/15/597815015.db2.gz LGSADUNLHKWNBZ-MRXNPFEDSA-N 2 1 331.464 1.830 20 0 EDADMP C[C@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CCN1c1cc[nH+]cc1 ZINC000880260775 597886299 /nfs/dbraw/zinc/88/62/99/597886299.db2.gz FOAYPRRTJTXAJR-AWEZNQCLSA-N 2 1 345.447 1.313 20 0 EDADMP CC1(C)[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000880492113 597946061 /nfs/dbraw/zinc/94/60/61/597946061.db2.gz MDJGLZRMGSBNNM-SJORKVTESA-N 2 1 335.492 1.476 20 0 EDADMP COCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000884185654 598018253 /nfs/dbraw/zinc/01/82/53/598018253.db2.gz CAMPHPBFYLDJTD-DAYGRLMNSA-N 2 1 349.475 1.276 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3C[NH2+]CC3(C)C)c2)CCO1 ZINC000884202485 598026782 /nfs/dbraw/zinc/02/67/82/598026782.db2.gz ZOZZIJURPRNAOM-MAUKXSAKSA-N 2 1 345.487 1.769 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[NH2+]CC3(C)C)c2)CCO1 ZINC000884202485 598026786 /nfs/dbraw/zinc/02/67/86/598026786.db2.gz ZOZZIJURPRNAOM-MAUKXSAKSA-N 2 1 345.487 1.769 20 0 EDADMP [NH3+]Cc1ocnc1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000884220520 598033334 /nfs/dbraw/zinc/03/33/34/598033334.db2.gz VPLHWHXULAUYRR-UHFFFAOYSA-N 2 1 344.415 1.538 20 0 EDADMP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000884229561 598037785 /nfs/dbraw/zinc/03/77/85/598037785.db2.gz UJKDLBUPFNBMTK-YQQAZPJKSA-N 2 1 347.463 1.021 20 0 EDADMP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000884229561 598037788 /nfs/dbraw/zinc/03/77/88/598037788.db2.gz UJKDLBUPFNBMTK-YQQAZPJKSA-N 2 1 347.463 1.021 20 0 EDADMP [NH3+][C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1C(F)(F)F ZINC000884298864 598058707 /nfs/dbraw/zinc/05/87/07/598058707.db2.gz FODROMUYTJPVMV-MNOVXSKESA-N 2 1 337.292 1.819 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884435462 598104769 /nfs/dbraw/zinc/10/47/69/598104769.db2.gz YNXTVJQNXVTSRB-ZDUSSCGKSA-N 2 1 333.354 1.400 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738393003 598713588 /nfs/dbraw/zinc/71/35/88/598713588.db2.gz HNHKCBCPTNCMGF-MRXNPFEDSA-N 2 1 330.436 1.193 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000914112592 695116455 /nfs/dbraw/zinc/11/64/55/695116455.db2.gz POQNSVASANIDIN-FUHWJXTLSA-N 2 1 345.491 1.200 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000914112592 695116456 /nfs/dbraw/zinc/11/64/56/695116456.db2.gz POQNSVASANIDIN-FUHWJXTLSA-N 2 1 345.491 1.200 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000914115847 695121868 /nfs/dbraw/zinc/12/18/68/695121868.db2.gz HIMLABPHTFETHM-HOTGVXAUSA-N 2 1 329.510 1.076 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000925418573 695652854 /nfs/dbraw/zinc/65/28/54/695652854.db2.gz VKVPCJNCHVCCBY-KSZLIROESA-N 2 1 328.460 1.464 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000925418573 695652856 /nfs/dbraw/zinc/65/28/56/695652856.db2.gz VKVPCJNCHVCCBY-KSZLIROESA-N 2 1 328.460 1.464 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000915656849 695963944 /nfs/dbraw/zinc/96/39/44/695963944.db2.gz CRCDJKCDCKGYBK-RHSMWYFYSA-N 2 1 349.479 1.380 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000915656849 695963946 /nfs/dbraw/zinc/96/39/46/695963946.db2.gz CRCDJKCDCKGYBK-RHSMWYFYSA-N 2 1 349.479 1.380 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000915731627 695979940 /nfs/dbraw/zinc/97/99/40/695979940.db2.gz YGLIMHGYTOHSOY-INIZCTEOSA-N 2 1 330.436 1.579 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993365183 696013303 /nfs/dbraw/zinc/01/33/03/696013303.db2.gz LLAYPNGPLFWDDM-HZPDHXFCSA-N 2 1 335.496 1.683 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CCOC2CCC2)[C@H]1C ZINC000993627098 696290586 /nfs/dbraw/zinc/29/05/86/696290586.db2.gz VWKKDZADCAQXGG-RDJZCZTQSA-N 2 1 334.464 1.730 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CCOC2CCC2)[C@H]1C ZINC000993627098 696290587 /nfs/dbraw/zinc/29/05/87/696290587.db2.gz VWKKDZADCAQXGG-RDJZCZTQSA-N 2 1 334.464 1.730 20 0 EDADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993991365 696484772 /nfs/dbraw/zinc/48/47/72/696484772.db2.gz UKHNRUKUVBEHEC-WMZOPIPTSA-N 2 1 347.507 1.994 20 0 EDADMP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994001122 696500667 /nfs/dbraw/zinc/50/06/67/696500667.db2.gz BXVIBYQIPZFNMA-PBHICJAKSA-N 2 1 346.475 1.077 20 0 EDADMP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994001122 696500668 /nfs/dbraw/zinc/50/06/68/696500668.db2.gz BXVIBYQIPZFNMA-PBHICJAKSA-N 2 1 346.475 1.077 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCO)[C@H]2C)CC1 ZINC000994135158 696529988 /nfs/dbraw/zinc/52/99/88/696529988.db2.gz QGUYETOLTJLNBC-RDJZCZTQSA-N 2 1 325.497 1.458 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000916807854 696784388 /nfs/dbraw/zinc/78/43/88/696784388.db2.gz KKTYLVYYIOIBJJ-CRAIPNDOSA-N 2 1 348.491 1.561 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000916807855 696784411 /nfs/dbraw/zinc/78/44/11/696784411.db2.gz KKTYLVYYIOIBJJ-MAUKXSAKSA-N 2 1 348.491 1.561 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000940008286 700109972 /nfs/dbraw/zinc/10/99/72/700109972.db2.gz HPNSMXSVTYHHIR-HOTGVXAUSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCc2ccns2)[C@@H]1C ZINC000994416268 696831939 /nfs/dbraw/zinc/83/19/39/696831939.db2.gz BIYUQGFAEMSGJC-CJNGLKHVSA-N 2 1 347.488 1.860 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCc2ccns2)[C@@H]1C ZINC000994416268 696831943 /nfs/dbraw/zinc/83/19/43/696831943.db2.gz BIYUQGFAEMSGJC-CJNGLKHVSA-N 2 1 347.488 1.860 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000940008640 700110790 /nfs/dbraw/zinc/11/07/90/700110790.db2.gz WOZQQCKYTAIXHT-CQSZACIVSA-N 2 1 349.479 1.758 20 0 EDADMP Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000917009820 696875631 /nfs/dbraw/zinc/87/56/31/696875631.db2.gz AHMFWYNFFXKSDX-IRXDYDNUSA-N 2 1 346.475 1.497 20 0 EDADMP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000917009820 696875635 /nfs/dbraw/zinc/87/56/35/696875635.db2.gz AHMFWYNFFXKSDX-IRXDYDNUSA-N 2 1 346.475 1.497 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC000940027985 700126332 /nfs/dbraw/zinc/12/63/32/700126332.db2.gz FNNZNDDCINDEOZ-QGZVFWFLSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC000940027985 700126333 /nfs/dbraw/zinc/12/63/33/700126333.db2.gz FNNZNDDCINDEOZ-QGZVFWFLSA-N 2 1 349.519 1.868 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH+](C)C)CC2)[C@@H](C)C1 ZINC000919050635 697236891 /nfs/dbraw/zinc/23/68/91/697236891.db2.gz KOEFXMVBTCPMRH-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001031580806 697278521 /nfs/dbraw/zinc/27/85/21/697278521.db2.gz WFWKEDMAZUDJME-GOSISDBHSA-N 2 1 329.444 1.359 20 0 EDADMP CO[C@@H](C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC001031584354 697279789 /nfs/dbraw/zinc/27/97/89/697279789.db2.gz BZYMXLMBGHQTMQ-MSOLQXFVSA-N 2 1 331.460 1.516 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C)c1 ZINC001031597197 697296635 /nfs/dbraw/zinc/29/66/35/697296635.db2.gz WMBPTAHWBYHOAH-SFHVURJKSA-N 2 1 331.460 1.182 20 0 EDADMP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](CCO[C@@H]3CC3(F)F)C2)CC1 ZINC001015797061 697403511 /nfs/dbraw/zinc/40/35/11/697403511.db2.gz WKASDQYQNKWEMS-HUUCEWRRSA-N 2 1 345.434 1.333 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000920236479 697410238 /nfs/dbraw/zinc/41/02/38/697410238.db2.gz PGMQCCGRZITFIV-KFWWJZLASA-N 2 1 326.510 1.350 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000920266845 697417368 /nfs/dbraw/zinc/41/73/68/697417368.db2.gz XZWNUFCNDKEVFW-PBHICJAKSA-N 2 1 330.476 1.477 20 0 EDADMP O=C(NCC1C[NH+](CCCC2CCC2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688264 697519982 /nfs/dbraw/zinc/51/99/82/697519982.db2.gz BYJVCIRIFGQJOP-MSOLQXFVSA-N 2 1 335.492 1.478 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CCO)CC1 ZINC000948575118 700162850 /nfs/dbraw/zinc/16/28/50/700162850.db2.gz PXMMIKLMZMVFRY-DLBZAZTESA-N 2 1 325.497 1.412 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCO)CC1 ZINC000948575118 700162852 /nfs/dbraw/zinc/16/28/52/700162852.db2.gz PXMMIKLMZMVFRY-DLBZAZTESA-N 2 1 325.497 1.412 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948575118 700162855 /nfs/dbraw/zinc/16/28/55/700162855.db2.gz PXMMIKLMZMVFRY-DLBZAZTESA-N 2 1 325.497 1.412 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2oc(CC)nc2C)C1 ZINC001031713795 697733725 /nfs/dbraw/zinc/73/37/25/697733725.db2.gz FUBDGGRWAJENIV-MRXNPFEDSA-N 2 1 348.491 1.968 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2oc(CC)nc2C)C1 ZINC001031713795 697733729 /nfs/dbraw/zinc/73/37/29/697733729.db2.gz FUBDGGRWAJENIV-MRXNPFEDSA-N 2 1 348.491 1.968 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCn2nc(C)cc2C)C1 ZINC001031714959 697738029 /nfs/dbraw/zinc/73/80/29/697738029.db2.gz NQZCMCNOTSAFRX-SFHVURJKSA-N 2 1 347.507 1.422 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO[C@H]2CC2(F)F)C1 ZINC001031715395 697739624 /nfs/dbraw/zinc/73/96/24/697739624.db2.gz TWXMYJGLDFHGPW-GJZGRUSLSA-N 2 1 345.434 1.333 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO[C@H]2CC2(F)F)C1 ZINC001031715395 697739626 /nfs/dbraw/zinc/73/96/26/697739626.db2.gz TWXMYJGLDFHGPW-GJZGRUSLSA-N 2 1 345.434 1.333 20 0 EDADMP Cc1oncc1CN1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031729196 698082497 /nfs/dbraw/zinc/08/24/97/698082497.db2.gz HNUVPTCOVNRYKA-INIZCTEOSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729196 698082502 /nfs/dbraw/zinc/08/25/02/698082502.db2.gz HNUVPTCOVNRYKA-INIZCTEOSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031729196 698082507 /nfs/dbraw/zinc/08/25/07/698082507.db2.gz HNUVPTCOVNRYKA-INIZCTEOSA-N 2 1 334.464 1.509 20 0 EDADMP O=C(NCC1C[NH+](CC[C@H]2CCOC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001031730816 698093162 /nfs/dbraw/zinc/09/31/62/698093162.db2.gz ZBXSJTSMHSZYRC-LPHOPBHVSA-N 2 1 349.519 1.868 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CC3CC4(CCC4)C3)C2)O1 ZINC001031765903 699060023 /nfs/dbraw/zinc/06/00/23/699060023.db2.gz UCPVPILDNGGMGZ-RHSMWYFYSA-N 2 1 335.492 1.334 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CC3CC4(CCC4)C3)C2)O1 ZINC001031765903 699060026 /nfs/dbraw/zinc/06/00/26/699060026.db2.gz UCPVPILDNGGMGZ-RHSMWYFYSA-N 2 1 335.492 1.334 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccccn1 ZINC000939128803 699207891 /nfs/dbraw/zinc/20/78/91/699207891.db2.gz QGYUCKLOIKOTID-DOTOQJQBSA-N 2 1 330.476 1.750 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)cn1 ZINC000939136854 699223650 /nfs/dbraw/zinc/22/36/50/699223650.db2.gz CKBWUKIEJWSMKU-PBHICJAKSA-N 2 1 345.491 1.453 20 0 EDADMP CCc1nnc(CN[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939137614 699225097 /nfs/dbraw/zinc/22/50/97/699225097.db2.gz LEFBREBEMWJPTH-KBPBESRZSA-N 2 1 349.479 1.300 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)NCC2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)no1 ZINC001031799717 699328854 /nfs/dbraw/zinc/32/88/54/699328854.db2.gz KTXISFXBYZJCLE-BMFZPTHFSA-N 2 1 346.475 1.834 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC000939259915 699438012 /nfs/dbraw/zinc/43/80/12/699438012.db2.gz XGBSSRQDHSSWQJ-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1ncccn1 ZINC000939394412 699544700 /nfs/dbraw/zinc/54/47/00/699544700.db2.gz BPVIPKVVGBYCJW-JKSUJKDBSA-N 2 1 331.464 1.145 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2C[NH+](CC(C)C)C2)CC1 ZINC000941677714 701616140 /nfs/dbraw/zinc/61/61/40/701616140.db2.gz UXMGCQUBTHJKII-SFHVURJKSA-N 2 1 336.524 1.345 20 0 EDADMP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)n1 ZINC000939749046 699896136 /nfs/dbraw/zinc/89/61/36/699896136.db2.gz SLDNEDRFHFLFJA-CZUORRHYSA-N 2 1 343.431 1.232 20 0 EDADMP Cc1ncsc1CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000939752981 699902038 /nfs/dbraw/zinc/90/20/38/699902038.db2.gz BUMWWENKTSCSOG-WFASDCNBSA-N 2 1 347.488 1.636 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nc2c(o1)CCCC2 ZINC000939753283 699902623 /nfs/dbraw/zinc/90/26/23/699902623.db2.gz DLYCDHCBSSZUJM-GOEBONIOSA-N 2 1 346.475 1.586 20 0 EDADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1[NH2+]Cc1ccon1 ZINC000939806588 699955395 /nfs/dbraw/zinc/95/53/95/699955395.db2.gz KKSFCSDVKFRHND-RDTXWAMCSA-N 2 1 342.443 1.987 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939811495 699959533 /nfs/dbraw/zinc/95/95/33/699959533.db2.gz TYTMSCUDZSPPIJ-CZUORRHYSA-N 2 1 335.452 1.191 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1)[NH+](C)C ZINC000940163109 700297601 /nfs/dbraw/zinc/29/76/01/700297601.db2.gz SFNDLKYGFMTPLD-AWEZNQCLSA-N 2 1 339.509 1.595 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)on1 ZINC000940179039 700312725 /nfs/dbraw/zinc/31/27/25/700312725.db2.gz PVTUKFLWLCPEGW-MRXNPFEDSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2ocnc2C)CC1 ZINC000940214266 700353689 /nfs/dbraw/zinc/35/36/89/700353689.db2.gz DRPFMFXHKQKQLJ-UHFFFAOYSA-N 2 1 331.420 1.659 20 0 EDADMP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000940328113 700505611 /nfs/dbraw/zinc/50/56/11/700505611.db2.gz FRRPJEZNQYUAJT-UHFFFAOYSA-N 2 1 347.507 1.623 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)ncn1 ZINC000940329575 700508970 /nfs/dbraw/zinc/50/89/70/700508970.db2.gz VNLHUCDLYHXTMT-OAHLLOKOSA-N 2 1 345.491 1.598 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000940329501 700509181 /nfs/dbraw/zinc/50/91/81/700509181.db2.gz UTYMLQLFZVOXJJ-IRXDYDNUSA-N 2 1 337.508 1.726 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)n1 ZINC000940333969 700513856 /nfs/dbraw/zinc/51/38/56/700513856.db2.gz DSGRHYLYWCMSFG-ZDUSSCGKSA-N 2 1 337.468 1.443 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000940461848 700665151 /nfs/dbraw/zinc/66/51/51/700665151.db2.gz NYUIYKXFSSFIFP-CQSZACIVSA-N 2 1 348.495 1.351 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccn(C)n3)CC2(C)C)CC[N@@H+]1C ZINC000940756569 700892087 /nfs/dbraw/zinc/89/20/87/700892087.db2.gz BZBUADGUTGRQTJ-DJIMGWMZSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccn(C)n3)CC2(C)C)CC[N@H+]1C ZINC000940756569 700892088 /nfs/dbraw/zinc/89/20/88/700892088.db2.gz BZBUADGUTGRQTJ-DJIMGWMZSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccn(C)n3)CC2(C)C)CC[NH+]1C ZINC000940756569 700892089 /nfs/dbraw/zinc/89/20/89/700892089.db2.gz BZBUADGUTGRQTJ-DJIMGWMZSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccn(C)n3)CC2(C)C)CC[NH+]1C ZINC000940756569 700892090 /nfs/dbraw/zinc/89/20/90/700892090.db2.gz BZBUADGUTGRQTJ-DJIMGWMZSA-N 2 1 347.507 1.477 20 0 EDADMP CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000940801886 700907298 /nfs/dbraw/zinc/90/72/98/700907298.db2.gz YQTOAIXELAFOMZ-DLBZAZTESA-N 2 1 337.508 1.602 20 0 EDADMP CC1(C)C[NH+](CCO)CC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000940801886 700907299 /nfs/dbraw/zinc/90/72/99/700907299.db2.gz YQTOAIXELAFOMZ-DLBZAZTESA-N 2 1 337.508 1.602 20 0 EDADMP CC1(C)C[NH+](CCO)CC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000940801886 700907301 /nfs/dbraw/zinc/90/73/01/700907301.db2.gz YQTOAIXELAFOMZ-DLBZAZTESA-N 2 1 337.508 1.602 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940835280 700933435 /nfs/dbraw/zinc/93/34/35/700933435.db2.gz BEVDRGNYIMTYRT-JKSUJKDBSA-N 2 1 337.508 1.460 20 0 EDADMP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCO)CC2(C)C)ccc2c[nH+]cn21 ZINC000940853174 700953420 /nfs/dbraw/zinc/95/34/20/700953420.db2.gz NVEBISYIGDWBOA-MRXNPFEDSA-N 2 1 330.432 1.465 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCO)CC1(C)C ZINC000940858373 700957281 /nfs/dbraw/zinc/95/72/81/700957281.db2.gz MDSAJLOQSOORKY-HZPDHXFCSA-N 2 1 325.497 1.316 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000940858373 700957283 /nfs/dbraw/zinc/95/72/83/700957283.db2.gz MDSAJLOQSOORKY-HZPDHXFCSA-N 2 1 325.497 1.316 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC000940858373 700957285 /nfs/dbraw/zinc/95/72/85/700957285.db2.gz MDSAJLOQSOORKY-HZPDHXFCSA-N 2 1 325.497 1.316 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901849 700976852 /nfs/dbraw/zinc/97/68/52/700976852.db2.gz RFLNYDQTBLILJE-ASPXRTSYSA-N 2 1 349.519 1.722 20 0 EDADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901849 700976853 /nfs/dbraw/zinc/97/68/53/700976853.db2.gz RFLNYDQTBLILJE-ASPXRTSYSA-N 2 1 349.519 1.722 20 0 EDADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901849 700976854 /nfs/dbraw/zinc/97/68/54/700976854.db2.gz RFLNYDQTBLILJE-ASPXRTSYSA-N 2 1 349.519 1.722 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C)CC2 ZINC000940986781 701040897 /nfs/dbraw/zinc/04/08/97/701040897.db2.gz LNSRNFVWJZFGCV-DOTOQJQBSA-N 2 1 348.491 1.353 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C)CC2 ZINC000940986781 701040899 /nfs/dbraw/zinc/04/08/99/701040899.db2.gz LNSRNFVWJZFGCV-DOTOQJQBSA-N 2 1 348.491 1.353 20 0 EDADMP COc1ncccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000995116024 701046980 /nfs/dbraw/zinc/04/69/80/701046980.db2.gz LMAWTCMXFMADQL-UKRRQHHQSA-N 2 1 343.431 1.431 20 0 EDADMP O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001031921865 701070112 /nfs/dbraw/zinc/07/01/12/701070112.db2.gz KHIOBANKEIYYHL-QFBILLFUSA-N 2 1 349.519 1.868 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2ccnn2C)CC1(C)C ZINC000941033333 701075618 /nfs/dbraw/zinc/07/56/18/701075618.db2.gz ORXVZROPIVXKEB-DOTOQJQBSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)CC1(C)C ZINC000941033333 701075620 /nfs/dbraw/zinc/07/56/20/701075620.db2.gz ORXVZROPIVXKEB-DOTOQJQBSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)CC1(C)C ZINC000941033333 701075622 /nfs/dbraw/zinc/07/56/22/701075622.db2.gz ORXVZROPIVXKEB-DOTOQJQBSA-N 2 1 347.507 1.621 20 0 EDADMP CCN1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCF)CC2(C)C)C1 ZINC000941230988 701404674 /nfs/dbraw/zinc/40/46/74/701404674.db2.gz LGMWGDWPVVMFDM-LSDHHAIUSA-N 2 1 329.460 1.283 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCCF)CC2(C)C)C1 ZINC000941230988 701404675 /nfs/dbraw/zinc/40/46/75/701404675.db2.gz LGMWGDWPVVMFDM-LSDHHAIUSA-N 2 1 329.460 1.283 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCCF)CC2(C)C)C1 ZINC000941230988 701404676 /nfs/dbraw/zinc/40/46/76/701404676.db2.gz LGMWGDWPVVMFDM-LSDHHAIUSA-N 2 1 329.460 1.283 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCCF)CC2(C)C)C1 ZINC000941230988 701404677 /nfs/dbraw/zinc/40/46/77/701404677.db2.gz LGMWGDWPVVMFDM-LSDHHAIUSA-N 2 1 329.460 1.283 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCF)CC2(C)C)C1 ZINC000941230988 701404678 /nfs/dbraw/zinc/40/46/78/701404678.db2.gz LGMWGDWPVVMFDM-LSDHHAIUSA-N 2 1 329.460 1.283 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032129153 701812538 /nfs/dbraw/zinc/81/25/38/701812538.db2.gz RIHFCQPKNAYJKK-SJORKVTESA-N 2 1 348.491 1.960 20 0 EDADMP CCCc1nc(C)c(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001032130223 701837104 /nfs/dbraw/zinc/83/71/04/701837104.db2.gz HRMJNQAZPGPNTE-UHFFFAOYSA-N 2 1 346.475 1.579 20 0 EDADMP C[C@@H]1C[N@@H+](CCF)CC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000944044908 701999551 /nfs/dbraw/zinc/99/95/51/701999551.db2.gz BCGNIVJZYVRORJ-RHSMWYFYSA-N 2 1 325.472 1.905 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC000999191559 706634323 /nfs/dbraw/zinc/63/43/23/706634323.db2.gz ZUKQCWAQSWDBNG-FVQBIDKESA-N 2 1 334.464 1.712 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3nccn3C)C(C)(C)C2)CC[N@H+]1C ZINC000995824827 702095714 /nfs/dbraw/zinc/09/57/14/702095714.db2.gz LHUKZOIVPQUANY-XHSDSOJGSA-N 2 1 347.507 1.477 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncc(C)c2)C1 ZINC001032205986 702121013 /nfs/dbraw/zinc/12/10/13/702121013.db2.gz OKURNDFPKJJTMJ-GOSISDBHSA-N 2 1 330.476 1.812 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncc(C)c2)C1 ZINC001032205986 702121017 /nfs/dbraw/zinc/12/10/17/702121017.db2.gz OKURNDFPKJJTMJ-GOSISDBHSA-N 2 1 330.476 1.812 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2CN(Cc3cc(Cl)ccc3F)C2)C1 ZINC001032183045 702153512 /nfs/dbraw/zinc/15/35/12/702153512.db2.gz YJPHJSIYVAHGSH-CYBMUJFWSA-N 2 1 339.842 1.979 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995893026 702193803 /nfs/dbraw/zinc/19/38/03/702193803.db2.gz GXSHLPOSPFKIJL-JKSUJKDBSA-N 2 1 334.464 1.650 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995894969 702197951 /nfs/dbraw/zinc/19/79/51/702197951.db2.gz LKIQPOLCVHHKPU-HUUCEWRRSA-N 2 1 335.452 1.045 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cscn2)C(C)(C)C1)C1CC1 ZINC000995903553 702212039 /nfs/dbraw/zinc/21/20/39/702212039.db2.gz LEQYTZNYGYGJAA-HUUCEWRRSA-N 2 1 336.505 1.810 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)no1 ZINC000995890535 702231735 /nfs/dbraw/zinc/23/17/35/702231735.db2.gz BRNKQDLOHHCMQW-HNNXBMFYSA-N 2 1 334.464 1.794 20 0 EDADMP Cn1ncc(C[NH2+][C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995914176 702273892 /nfs/dbraw/zinc/27/38/92/702273892.db2.gz KYZCHXQJMYPZLK-JKSUJKDBSA-N 2 1 348.495 1.016 20 0 EDADMP Cn1ncc(C[NH2+][C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995914176 702273897 /nfs/dbraw/zinc/27/38/97/702273897.db2.gz KYZCHXQJMYPZLK-JKSUJKDBSA-N 2 1 348.495 1.016 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001032186865 702285831 /nfs/dbraw/zinc/28/58/31/702285831.db2.gz YHXMAPMSHOVKLL-QGZVFWFLSA-N 2 1 326.444 1.668 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)co1 ZINC000995995299 702373586 /nfs/dbraw/zinc/37/35/86/702373586.db2.gz HJHSNVDPYFMERU-INIZCTEOSA-N 2 1 346.475 1.938 20 0 EDADMP C[C@H]1C[N@H+](Cc2cncc(F)c2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944155795 702450040 /nfs/dbraw/zinc/45/00/40/702450040.db2.gz QHKUPGUQIJSHNO-YOEHRIQHSA-N 2 1 346.450 1.643 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944155795 702450042 /nfs/dbraw/zinc/45/00/42/702450042.db2.gz QHKUPGUQIJSHNO-YOEHRIQHSA-N 2 1 346.450 1.643 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccn(C)n3)C(C)(C)C2)CC[N@H+]1C ZINC000996197139 702623675 /nfs/dbraw/zinc/62/36/75/702623675.db2.gz QYRDDUZTAJQEHY-ZOBUZTSGSA-N 2 1 347.507 1.477 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@@H]([NH2+]CCF)C(C)(C)C2)C1 ZINC000996300453 702691610 /nfs/dbraw/zinc/69/16/10/702691610.db2.gz MONDMIOXMNQJLN-DYVFJYSZSA-N 2 1 331.451 1.995 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996300206 702691828 /nfs/dbraw/zinc/69/18/28/702691828.db2.gz KGZGRXMOWTXMJA-YOEHRIQHSA-N 2 1 347.507 1.539 20 0 EDADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996300474 702692248 /nfs/dbraw/zinc/69/22/48/702692248.db2.gz MTVFHYJNZOAMMD-GDBMZVCRSA-N 2 1 348.495 1.109 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cncc(F)c3)C(C)(C)C2)C1 ZINC000996301598 702693730 /nfs/dbraw/zinc/69/37/30/702693730.db2.gz VBZVIHKKEPKMTJ-RHSMWYFYSA-N 2 1 348.466 1.889 20 0 EDADMP CCc1noc(C)c1CN[C@@H]1CN(C(=O)Cc2ncc[nH]2)CC1(C)C ZINC000996454736 702799647 /nfs/dbraw/zinc/79/96/47/702799647.db2.gz APKSIHCBRRFEQX-OAHLLOKOSA-N 2 1 345.447 1.838 20 0 EDADMP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996475537 702807413 /nfs/dbraw/zinc/80/74/13/702807413.db2.gz CBYWEQOHFXKUQZ-WMLDXEAASA-N 2 1 332.448 1.630 20 0 EDADMP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996476320 702808372 /nfs/dbraw/zinc/80/83/72/702808372.db2.gz FYUYGYISUANAPR-DOTOQJQBSA-N 2 1 343.475 1.432 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](NCc3nccs3)C(C)(C)C2)C1 ZINC000996517740 702853073 /nfs/dbraw/zinc/85/30/73/702853073.db2.gz GSUIGHVDISEZMS-UONOGXRCSA-N 2 1 336.505 1.812 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3nccs3)C(C)(C)C2)C1 ZINC000996517740 702853076 /nfs/dbraw/zinc/85/30/76/702853076.db2.gz GSUIGHVDISEZMS-UONOGXRCSA-N 2 1 336.505 1.812 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3nccs3)C(C)(C)C2)C1 ZINC000996517740 702853079 /nfs/dbraw/zinc/85/30/79/702853079.db2.gz GSUIGHVDISEZMS-UONOGXRCSA-N 2 1 336.505 1.812 20 0 EDADMP Cn1nccc1C[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518250 702853721 /nfs/dbraw/zinc/85/37/21/702853721.db2.gz IUFQMRXYLNNQDA-ZBFHGGJFSA-N 2 1 333.480 1.089 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]Cc3cnns3)C(C)(C)C2)C1 ZINC000996521297 702856786 /nfs/dbraw/zinc/85/67/86/702856786.db2.gz VFMQYBITSUMFJS-JSGCOSHPSA-N 2 1 337.493 1.207 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCC[NH+](CCCO)CC1 ZINC000948438928 702900596 /nfs/dbraw/zinc/90/05/96/702900596.db2.gz CPSIFGZBVZSCIB-ZWKOTPCHSA-N 2 1 339.524 1.945 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000948438928 702900598 /nfs/dbraw/zinc/90/05/98/702900598.db2.gz CPSIFGZBVZSCIB-ZWKOTPCHSA-N 2 1 339.524 1.945 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000948438928 702900599 /nfs/dbraw/zinc/90/05/99/702900599.db2.gz CPSIFGZBVZSCIB-ZWKOTPCHSA-N 2 1 339.524 1.945 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC000996607259 702910638 /nfs/dbraw/zinc/91/06/38/702910638.db2.gz LUWHIKAXZKAKNV-UKRRQHHQSA-N 2 1 336.505 1.872 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)CC[N@H+]1C ZINC000996608377 702911667 /nfs/dbraw/zinc/91/16/67/702911667.db2.gz SBUVLQPRJULMGB-IUODEOHRSA-N 2 1 329.435 1.953 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC000996605467 702915049 /nfs/dbraw/zinc/91/50/49/702915049.db2.gz FKKBZPMDUHTYFS-IIAWOOMASA-N 2 1 331.464 1.458 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)C(C)(C)C1 ZINC000996621005 702926617 /nfs/dbraw/zinc/92/66/17/702926617.db2.gz JBGXBKBDOBMYIK-HZPDHXFCSA-N 2 1 334.464 1.445 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)c1ncccn1 ZINC000996670765 702971865 /nfs/dbraw/zinc/97/18/65/702971865.db2.gz DNZZPHQKMXZVIW-CQSZACIVSA-N 2 1 331.464 1.603 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC2(C)C)[nH]1 ZINC000996672982 702974045 /nfs/dbraw/zinc/97/40/45/702974045.db2.gz RMLBKFDDODJSAG-OAHLLOKOSA-N 2 1 348.495 1.316 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000996677481 702976477 /nfs/dbraw/zinc/97/64/77/702976477.db2.gz KFKRWWCQGGIIHN-OAHLLOKOSA-N 2 1 345.472 1.998 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996720217 703013975 /nfs/dbraw/zinc/01/39/75/703013975.db2.gz RXMLDWYJJSJEMB-IRXDYDNUSA-N 2 1 343.475 1.574 20 0 EDADMP CC1(C)CC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCOCC2)C1 ZINC001032684266 706715557 /nfs/dbraw/zinc/71/55/57/706715557.db2.gz IJJGHFNPNGVOBE-IRXDYDNUSA-N 2 1 335.492 1.430 20 0 EDADMP CC1(C)CC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCOCC2)C1 ZINC001032684266 706715558 /nfs/dbraw/zinc/71/55/58/706715558.db2.gz IJJGHFNPNGVOBE-IRXDYDNUSA-N 2 1 335.492 1.430 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1 ZINC001032684463 706716023 /nfs/dbraw/zinc/71/60/23/706716023.db2.gz QSMYGMMAOIIBAX-ROUUACIJSA-N 2 1 335.492 1.574 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1 ZINC001032684463 706716026 /nfs/dbraw/zinc/71/60/26/706716026.db2.gz QSMYGMMAOIIBAX-ROUUACIJSA-N 2 1 335.492 1.574 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000996755404 703044216 /nfs/dbraw/zinc/04/42/16/703044216.db2.gz CQGXROCKAVRWIX-KRWDZBQOSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1C[N@@H+](CCn2cccn2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942558583 703063265 /nfs/dbraw/zinc/06/32/65/703063265.db2.gz YSINGMLYRRGNHZ-DLBZAZTESA-N 2 1 347.507 1.584 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CC[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000996920856 703191903 /nfs/dbraw/zinc/19/19/03/703191903.db2.gz GDSDWLAWSICTGJ-BBWFWOEESA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]Cc3nncs3)CC2)CC[N@H+]1C ZINC000996921147 703192089 /nfs/dbraw/zinc/19/20/89/703192089.db2.gz JDMZHFXZEHHCOP-STQMWFEESA-N 2 1 337.493 1.349 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032043173 703216481 /nfs/dbraw/zinc/21/64/81/703216481.db2.gz WYVVEXPWBOUKSS-JKSUJKDBSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032043173 703216482 /nfs/dbraw/zinc/21/64/82/703216482.db2.gz WYVVEXPWBOUKSS-JKSUJKDBSA-N 2 1 332.448 1.548 20 0 EDADMP C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000942718131 703231936 /nfs/dbraw/zinc/23/19/36/703231936.db2.gz BVGQVHCEERDKRW-QFBILLFUSA-N 2 1 347.503 1.613 20 0 EDADMP Cc1conc1CN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000996978792 703234301 /nfs/dbraw/zinc/23/43/01/703234301.db2.gz JRWYTZAKSPOGEY-PBHICJAKSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1conc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000996978792 703234304 /nfs/dbraw/zinc/23/43/04/703234304.db2.gz JRWYTZAKSPOGEY-PBHICJAKSA-N 2 1 334.464 1.794 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccn2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032044404 703240745 /nfs/dbraw/zinc/24/07/45/703240745.db2.gz RIXLVADTJWCAMX-QZTJIDSGSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccn2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032044404 703240746 /nfs/dbraw/zinc/24/07/46/703240746.db2.gz RIXLVADTJWCAMX-QZTJIDSGSA-N 2 1 328.460 1.647 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000996993309 703249691 /nfs/dbraw/zinc/24/96/91/703249691.db2.gz CMLFVXYJOVRANH-AWEZNQCLSA-N 2 1 349.479 1.587 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000996993309 703249693 /nfs/dbraw/zinc/24/96/93/703249693.db2.gz CMLFVXYJOVRANH-AWEZNQCLSA-N 2 1 349.479 1.587 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)nn1C ZINC000996996690 703259874 /nfs/dbraw/zinc/25/98/74/703259874.db2.gz YJSNAURZNPVZKL-AWEZNQCLSA-N 2 1 333.480 1.293 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC000996996874 703260481 /nfs/dbraw/zinc/26/04/81/703260481.db2.gz AJGRCPSXFZIHOR-UONOGXRCSA-N 2 1 349.479 1.615 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]CCc3ccns3)CC2)C1 ZINC000996996937 703260588 /nfs/dbraw/zinc/26/05/88/703260588.db2.gz ATZRXEAACBCWQW-CQSZACIVSA-N 2 1 336.505 1.608 20 0 EDADMP CC(C)n1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997005304 703262458 /nfs/dbraw/zinc/26/24/58/703262458.db2.gz DHHWKBAHWGWRAY-QAPCUYQASA-N 2 1 347.507 1.742 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC000997005363 703262741 /nfs/dbraw/zinc/26/27/41/703262741.db2.gz IDMWNLRENWNEDM-DZGCQCFKSA-N 2 1 334.464 1.966 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000997006423 703263887 /nfs/dbraw/zinc/26/38/87/703263887.db2.gz MAHQCHHFRUWISR-CQSZACIVSA-N 2 1 334.439 1.643 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)ncn1 ZINC000997007295 703264814 /nfs/dbraw/zinc/26/48/14/703264814.db2.gz PQLILFIZGCDJIF-AWEZNQCLSA-N 2 1 331.464 1.207 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000997059345 703303411 /nfs/dbraw/zinc/30/34/11/703303411.db2.gz AMANUSOFDWOEBX-GOSISDBHSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408694 703436137 /nfs/dbraw/zinc/43/61/37/703436137.db2.gz CMPNAAQMJSKQNI-FJIDUMEYSA-N 2 1 335.492 1.427 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cnnn2C)CC1 ZINC000997182316 703467201 /nfs/dbraw/zinc/46/72/01/703467201.db2.gz WOFLHZFQUWHHRS-RHSMWYFYSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cnnn2C)CC1 ZINC000997182316 703467203 /nfs/dbraw/zinc/46/72/03/703467203.db2.gz WOFLHZFQUWHHRS-RHSMWYFYSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)sn1 ZINC000997184302 703472942 /nfs/dbraw/zinc/47/29/42/703472942.db2.gz NXIVVQGWQWARJK-CQSZACIVSA-N 2 1 336.505 1.874 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997187965 703477650 /nfs/dbraw/zinc/47/76/50/703477650.db2.gz YCHVJGBMKUNYCL-ZDUSSCGKSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997187965 703477652 /nfs/dbraw/zinc/47/76/52/703477652.db2.gz YCHVJGBMKUNYCL-ZDUSSCGKSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nc(C)n1 ZINC001060824980 703554584 /nfs/dbraw/zinc/55/45/84/703554584.db2.gz MKSYAGYJXNRMIG-ZBFHGGJFSA-N 2 1 331.464 1.702 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001060824980 703554587 /nfs/dbraw/zinc/55/45/87/703554587.db2.gz MKSYAGYJXNRMIG-ZBFHGGJFSA-N 2 1 331.464 1.702 20 0 EDADMP CC(C)Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000997298335 703556271 /nfs/dbraw/zinc/55/62/71/703556271.db2.gz INIDFCSGQHHXOH-AWEZNQCLSA-N 2 1 349.479 1.300 20 0 EDADMP CC(C)Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000997298335 703556272 /nfs/dbraw/zinc/55/62/72/703556272.db2.gz INIDFCSGQHHXOH-AWEZNQCLSA-N 2 1 349.479 1.300 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CCc3ccccc3F)CC2)C1 ZINC000997299903 703557088 /nfs/dbraw/zinc/55/70/88/703557088.db2.gz QZYKESITZXHWJA-MRXNPFEDSA-N 2 1 333.451 1.901 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2cnc(C)nc2)CC1 ZINC000997310814 703567784 /nfs/dbraw/zinc/56/77/84/703567784.db2.gz VDLBNZUKEJJZET-UHFFFAOYSA-N 2 1 328.420 1.071 20 0 EDADMP CCn1nncc1C[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997361380 703598568 /nfs/dbraw/zinc/59/85/68/703598568.db2.gz URLIJDQCSPLAKK-GASCZTMLSA-N 2 1 348.495 1.251 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000997367150 703601546 /nfs/dbraw/zinc/60/15/46/703601546.db2.gz WAQUWAMOSQCTEN-HNNXBMFYSA-N 2 1 337.493 1.493 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOC2CCC2)C1 ZINC001032443263 703619366 /nfs/dbraw/zinc/61/93/66/703619366.db2.gz PRMBCXMRCWGFKE-SQNIBIBYSA-N 2 1 349.519 1.819 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOC2CCC2)C1 ZINC001032443263 703619368 /nfs/dbraw/zinc/61/93/68/703619368.db2.gz PRMBCXMRCWGFKE-SQNIBIBYSA-N 2 1 349.519 1.819 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOC2CCC2)C1 ZINC001032443263 703619370 /nfs/dbraw/zinc/61/93/70/703619370.db2.gz PRMBCXMRCWGFKE-SQNIBIBYSA-N 2 1 349.519 1.819 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOC2CCC2)C1 ZINC001032443263 703619371 /nfs/dbraw/zinc/61/93/71/703619371.db2.gz PRMBCXMRCWGFKE-SQNIBIBYSA-N 2 1 349.519 1.819 20 0 EDADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCCCO2)CCC1 ZINC001032443575 703620135 /nfs/dbraw/zinc/62/01/35/703620135.db2.gz YEVGSYFEDMBUPS-ULQDDVLXSA-N 2 1 335.492 1.715 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(F)(F)C1)C12CCC[NH+]1CCC2 ZINC001032498501 703797471 /nfs/dbraw/zinc/79/74/71/703797471.db2.gz XPFXOHHUVAEDSF-GJZGRUSLSA-N 2 1 339.430 1.945 20 0 EDADMP COc1cccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000997605720 703903465 /nfs/dbraw/zinc/90/34/65/703903465.db2.gz HANVMVNLXSFEOO-KRWDZBQOSA-N 2 1 346.475 1.513 20 0 EDADMP CC(C)c1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997609096 703908432 /nfs/dbraw/zinc/90/84/32/703908432.db2.gz YYIZAPWYSQAEEF-HNNXBMFYSA-N 2 1 349.479 1.615 20 0 EDADMP CC(C)c1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000997609096 703908433 /nfs/dbraw/zinc/90/84/33/703908433.db2.gz YYIZAPWYSQAEEF-HNNXBMFYSA-N 2 1 349.479 1.615 20 0 EDADMP CC(C)n1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000997612590 703910041 /nfs/dbraw/zinc/91/00/41/703910041.db2.gz JIRCSEMQSVXHAF-SFHVURJKSA-N 2 1 347.507 1.886 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnc(C)o2)CC1 ZINC001004207605 703967382 /nfs/dbraw/zinc/96/73/82/703967382.db2.gz HOHLJIOOESWVRH-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnc(C)o2)CC1 ZINC001004207605 703967386 /nfs/dbraw/zinc/96/73/86/703967386.db2.gz HOHLJIOOESWVRH-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3cnon3)C2)C1 ZINC000999290607 706785904 /nfs/dbraw/zinc/78/59/04/706785904.db2.gz NABWAMFBLTZVEI-HLIUYOAVSA-N 2 1 335.452 1.271 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3cnon3)C2)C1 ZINC000999290607 706785906 /nfs/dbraw/zinc/78/59/06/706785906.db2.gz NABWAMFBLTZVEI-HLIUYOAVSA-N 2 1 335.452 1.271 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3nncn3C)C2)C1 ZINC000999291183 706786594 /nfs/dbraw/zinc/78/65/94/706786594.db2.gz POFIVQTWRLIEPJ-FHERZECASA-N 2 1 348.495 1.016 20 0 EDADMP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033084987 704156054 /nfs/dbraw/zinc/15/60/54/704156054.db2.gz MRWOWGSAYOPAPI-INIZCTEOSA-N 2 1 333.480 1.391 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033091553 704166725 /nfs/dbraw/zinc/16/67/25/704166725.db2.gz KVFPFDJYOKSGGO-VNQPRFMTSA-N 2 1 334.464 1.664 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033091553 704166727 /nfs/dbraw/zinc/16/67/27/704166727.db2.gz KVFPFDJYOKSGGO-VNQPRFMTSA-N 2 1 334.464 1.664 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033091553 704166729 /nfs/dbraw/zinc/16/67/29/704166729.db2.gz KVFPFDJYOKSGGO-VNQPRFMTSA-N 2 1 334.464 1.664 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3cnnn3CC)C2)CC[N@H+]1C ZINC001033095758 704183231 /nfs/dbraw/zinc/18/32/31/704183231.db2.gz DTUZYGYTVZYLMN-HYVNUMGLSA-N 2 1 348.495 1.061 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+]2Cc2ccon2)CC1 ZINC001004366062 704332804 /nfs/dbraw/zinc/33/28/04/704332804.db2.gz AGNIONISSAYCJZ-QZTJIDSGSA-N 2 1 346.475 1.972 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2Cc2ccon2)CC1 ZINC001004366062 704332807 /nfs/dbraw/zinc/33/28/07/704332807.db2.gz AGNIONISSAYCJZ-QZTJIDSGSA-N 2 1 346.475 1.972 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2Cc2ccon2)CC1 ZINC001004366062 704332810 /nfs/dbraw/zinc/33/28/10/704332810.db2.gz AGNIONISSAYCJZ-QZTJIDSGSA-N 2 1 346.475 1.972 20 0 EDADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032538423 704588540 /nfs/dbraw/zinc/58/85/40/704588540.db2.gz QMOKFLZLFZEMNB-FHWLQOOXSA-N 2 1 347.503 1.573 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000997777392 704677827 /nfs/dbraw/zinc/67/78/27/704677827.db2.gz TVFMPFAFIQNXIE-SFHVURJKSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3cncs3)CC2)CC[N@H+]1C ZINC000997793165 704699449 /nfs/dbraw/zinc/69/94/49/704699449.db2.gz MVVUUEKMHQOMDB-CZUORRHYSA-N 2 1 336.505 1.812 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nc(C)no2)CC1 ZINC000997819968 704741017 /nfs/dbraw/zinc/74/10/17/704741017.db2.gz FQAYHFIVTQLBCU-MRXNPFEDSA-N 2 1 349.479 1.581 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nc(C)no2)CC1 ZINC000997819968 704741019 /nfs/dbraw/zinc/74/10/19/704741019.db2.gz FQAYHFIVTQLBCU-MRXNPFEDSA-N 2 1 349.479 1.581 20 0 EDADMP Cn1ccc(C[NH2+]CC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000997840490 704756836 /nfs/dbraw/zinc/75/68/36/704756836.db2.gz NUQBCDMXYSKRIY-GOSISDBHSA-N 2 1 347.507 1.623 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)n1 ZINC000997855669 704764355 /nfs/dbraw/zinc/76/43/55/704764355.db2.gz OHKIXKGNYOESFW-CQSZACIVSA-N 2 1 337.468 1.300 20 0 EDADMP Cc1ncoc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997868454 704773602 /nfs/dbraw/zinc/77/36/02/704773602.db2.gz USVCYQHJYUHHBK-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCOC)CC1 ZINC000997874819 704779347 /nfs/dbraw/zinc/77/93/47/704779347.db2.gz RLWUOEFYZWSQRA-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1ncsc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944946234 704799403 /nfs/dbraw/zinc/79/94/03/704799403.db2.gz VSEYSGRXAGLTRT-ZFWWWQNUSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)c(C)o1 ZINC000944946257 704799429 /nfs/dbraw/zinc/79/94/29/704799429.db2.gz WDTDGGYYTOSLJO-CZUORRHYSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)c(C)o1 ZINC000944946257 704799430 /nfs/dbraw/zinc/79/94/30/704799430.db2.gz WDTDGGYYTOSLJO-CZUORRHYSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(Cc2cscn2)C[C@@H]1C ZINC000944946660 704799696 /nfs/dbraw/zinc/79/96/96/704799696.db2.gz YCLKRHJXRIPISD-WFASDCNBSA-N 2 1 333.461 1.675 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCOC2CCC2)C[C@@H]1C ZINC000944964112 704831278 /nfs/dbraw/zinc/83/12/78/704831278.db2.gz GNHPITPSIABWEQ-WMLDXEAASA-N 2 1 334.464 1.587 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCOC2CCC2)C[C@@H]1C ZINC000944964112 704831283 /nfs/dbraw/zinc/83/12/83/704831283.db2.gz GNHPITPSIABWEQ-WMLDXEAASA-N 2 1 334.464 1.587 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCOC2CCC2)C[C@@H]1C ZINC000944964113 704831422 /nfs/dbraw/zinc/83/14/22/704831422.db2.gz GNHPITPSIABWEQ-YOEHRIQHSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCOC2CCC2)C[C@@H]1C ZINC000944964113 704831427 /nfs/dbraw/zinc/83/14/27/704831427.db2.gz GNHPITPSIABWEQ-YOEHRIQHSA-N 2 1 334.464 1.587 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCn2cccn2)C1 ZINC001032581226 705001973 /nfs/dbraw/zinc/00/19/73/705001973.db2.gz NISCJGGQAKLMHS-SQNIBIBYSA-N 2 1 345.491 1.290 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCn2cccn2)C1 ZINC001032581226 705001978 /nfs/dbraw/zinc/00/19/78/705001978.db2.gz NISCJGGQAKLMHS-SQNIBIBYSA-N 2 1 345.491 1.290 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCn2cccn2)C1 ZINC001032581226 705001982 /nfs/dbraw/zinc/00/19/82/705001982.db2.gz NISCJGGQAKLMHS-SQNIBIBYSA-N 2 1 345.491 1.290 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCn2cccn2)C1 ZINC001032581226 705001986 /nfs/dbraw/zinc/00/19/86/705001986.db2.gz NISCJGGQAKLMHS-SQNIBIBYSA-N 2 1 345.491 1.290 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCOCC2)C1 ZINC001032581512 705005485 /nfs/dbraw/zinc/00/54/85/705005485.db2.gz XCXOPSAJKKCADI-QYZOEREBSA-N 2 1 349.519 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCOCC2)C1 ZINC001032581512 705005491 /nfs/dbraw/zinc/00/54/91/705005491.db2.gz XCXOPSAJKKCADI-QYZOEREBSA-N 2 1 349.519 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCOCC2)C1 ZINC001032581512 705005498 /nfs/dbraw/zinc/00/54/98/705005498.db2.gz XCXOPSAJKKCADI-QYZOEREBSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)co1 ZINC000998076671 705296185 /nfs/dbraw/zinc/29/61/85/705296185.db2.gz CCTYVBLPTJUTFT-CXAGYDPISA-N 2 1 334.464 1.509 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1)c1ncccn1 ZINC000998080930 705300327 /nfs/dbraw/zinc/30/03/27/705300327.db2.gz GANDZROZJOGLGV-HZPDHXFCSA-N 2 1 345.491 1.708 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)[nH]1 ZINC000998080846 705300785 /nfs/dbraw/zinc/30/07/85/705300785.db2.gz DRVFPKDNQQWYGY-ZIAGYGMSSA-N 2 1 348.495 1.344 20 0 EDADMP CCc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)no1 ZINC000998080512 705305955 /nfs/dbraw/zinc/30/59/55/705305955.db2.gz BTZQQDBMAMKAJV-HIFRSBDPSA-N 2 1 349.479 1.158 20 0 EDADMP CCc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)no1 ZINC000998080512 705305960 /nfs/dbraw/zinc/30/59/60/705305960.db2.gz BTZQQDBMAMKAJV-HIFRSBDPSA-N 2 1 349.479 1.158 20 0 EDADMP Cc1oncc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000998083012 705310964 /nfs/dbraw/zinc/31/09/64/705310964.db2.gz SOYRFKCTIRKNLL-CQSZACIVSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC000998083754 705313114 /nfs/dbraw/zinc/31/31/14/705313114.db2.gz XSHSNCDPVQVJCR-AWEZNQCLSA-N 2 1 334.464 1.653 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]Cc3cccnc3)CC2)C1 ZINC000998217779 705540218 /nfs/dbraw/zinc/54/02/18/705540218.db2.gz STBBIVJLAKEYMU-QGZVFWFLSA-N 2 1 330.476 1.752 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998269872 705652108 /nfs/dbraw/zinc/65/21/08/705652108.db2.gz PDCURGPQBKDJDL-UHFFFAOYSA-N 2 1 327.432 1.615 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000998284407 705678821 /nfs/dbraw/zinc/67/88/21/705678821.db2.gz BXQAVLFKIPMHGP-UHFFFAOYSA-N 2 1 349.479 1.582 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000998286171 705681831 /nfs/dbraw/zinc/68/18/31/705681831.db2.gz HDVLAIPJWQFHAI-GASCZTMLSA-N 2 1 334.464 1.876 20 0 EDADMP Cc1cccc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998586959 706025977 /nfs/dbraw/zinc/02/59/77/706025977.db2.gz SEVHRRRONMOPEK-FAFZWHIHSA-N 2 1 345.487 1.713 20 0 EDADMP Cc1cccc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998586959 706025979 /nfs/dbraw/zinc/02/59/79/706025979.db2.gz SEVHRRRONMOPEK-FAFZWHIHSA-N 2 1 345.487 1.713 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2noc3c2CCCC3)C1 ZINC000998718013 706149533 /nfs/dbraw/zinc/14/95/33/706149533.db2.gz AFVOXDGBPYFNTM-PBHICJAKSA-N 2 1 346.475 1.728 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2noc3c2CCCC3)C1 ZINC000998718013 706149535 /nfs/dbraw/zinc/14/95/35/706149535.db2.gz AFVOXDGBPYFNTM-PBHICJAKSA-N 2 1 346.475 1.728 20 0 EDADMP Cc1nsc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998723977 706155834 /nfs/dbraw/zinc/15/58/34/706155834.db2.gz SXUNJMSRCNTVIQ-ZBFHGGJFSA-N 2 1 336.505 1.935 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998735031 706168909 /nfs/dbraw/zinc/16/89/09/706168909.db2.gz YKQNBFBTVJTVPO-QZTJIDSGSA-N 2 1 347.507 1.947 20 0 EDADMP C[N@H+]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)[C@@H](c2ccccc2)C1 ZINC001032640419 706185093 /nfs/dbraw/zinc/18/50/93/706185093.db2.gz IVDZATAWGNPGDL-OKYOBFRVSA-N 2 1 345.462 1.977 20 0 EDADMP C[NH+]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCF)[C@@H](c2ccccc2)C1 ZINC001032640419 706185095 /nfs/dbraw/zinc/18/50/95/706185095.db2.gz IVDZATAWGNPGDL-OKYOBFRVSA-N 2 1 345.462 1.977 20 0 EDADMP C[NH+]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCF)[C@@H](c2ccccc2)C1 ZINC001032640419 706185097 /nfs/dbraw/zinc/18/50/97/706185097.db2.gz IVDZATAWGNPGDL-OKYOBFRVSA-N 2 1 345.462 1.977 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC000998791128 706238113 /nfs/dbraw/zinc/23/81/13/706238113.db2.gz IGVGCBDORPKJQN-WKIYYKSKSA-N 2 1 337.493 1.266 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC000998791128 706238115 /nfs/dbraw/zinc/23/81/15/706238115.db2.gz IGVGCBDORPKJQN-WKIYYKSKSA-N 2 1 337.493 1.266 20 0 EDADMP Cc1cccc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998813125 706256092 /nfs/dbraw/zinc/25/60/92/706256092.db2.gz USYSFQGCAHUALR-MJGOQNOKSA-N 2 1 345.487 1.715 20 0 EDADMP Cc1cccc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998813125 706256094 /nfs/dbraw/zinc/25/60/94/706256094.db2.gz USYSFQGCAHUALR-MJGOQNOKSA-N 2 1 345.487 1.715 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC000998831251 706260810 /nfs/dbraw/zinc/26/08/10/706260810.db2.gz ZZCVZVMDJDTWEX-MSOLQXFVSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC000998831251 706260814 /nfs/dbraw/zinc/26/08/14/706260814.db2.gz ZZCVZVMDJDTWEX-MSOLQXFVSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1ccc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000998825216 706271857 /nfs/dbraw/zinc/27/18/57/706271857.db2.gz MEVFDMRJICQUKH-OALUTQOASA-N 2 1 345.487 1.449 20 0 EDADMP Cc1ccc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000998825216 706271858 /nfs/dbraw/zinc/27/18/58/706271858.db2.gz MEVFDMRJICQUKH-OALUTQOASA-N 2 1 345.487 1.449 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000998902654 706339686 /nfs/dbraw/zinc/33/96/86/706339686.db2.gz WMKNCYDPRVVEOU-ADKAHSJRSA-N 2 1 347.507 1.725 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)on1 ZINC000998995466 706412989 /nfs/dbraw/zinc/41/29/89/706412989.db2.gz SUFSUVYBYQLEFA-SSDMNJCBSA-N 2 1 336.436 1.247 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(C)nn2)C1 ZINC000999034858 706449679 /nfs/dbraw/zinc/44/96/79/706449679.db2.gz FFIQGSVWWHZDJZ-PREGVCBESA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999036232 706450951 /nfs/dbraw/zinc/45/09/51/706450951.db2.gz QEHKLEYTNUIFQY-ABHNRTSZSA-N 2 1 347.507 1.620 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)sn1 ZINC000999124543 706549221 /nfs/dbraw/zinc/54/92/21/706549221.db2.gz DRJLDEKAHABIHG-UHFFFAOYSA-N 2 1 349.460 1.436 20 0 EDADMP CN(C(=O)Cn1c[nH+]c2c1CCCC2)C1CC([NH2+]C[C@H]2CCOC2)C1 ZINC000999126061 706550187 /nfs/dbraw/zinc/55/01/87/706550187.db2.gz PCFLKXHTYBNXOX-QQFBHYJXSA-N 2 1 346.475 1.377 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999146880 706560388 /nfs/dbraw/zinc/56/03/88/706560388.db2.gz YTGIOPFLFCVBEW-GDBMZVCRSA-N 2 1 335.452 1.331 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999146880 706560391 /nfs/dbraw/zinc/56/03/91/706560391.db2.gz YTGIOPFLFCVBEW-GDBMZVCRSA-N 2 1 335.452 1.331 20 0 EDADMP CCCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999348815 706861013 /nfs/dbraw/zinc/86/10/13/706861013.db2.gz QNGAVVNGUTYZHA-OAHLLOKOSA-N 2 1 348.495 1.253 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000999372741 706866981 /nfs/dbraw/zinc/86/69/81/706866981.db2.gz PCCVHOZOJMJBJB-DZGCQCFKSA-N 2 1 345.472 1.998 20 0 EDADMP Cc1ncsc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999406858 706916240 /nfs/dbraw/zinc/91/62/40/706916240.db2.gz AMHDNQWIKCSSLW-GRTSSRMGSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999410505 706920314 /nfs/dbraw/zinc/92/03/14/706920314.db2.gz YFLRTMRGTOXBHV-IGEOTXOUSA-N 2 1 333.480 1.149 20 0 EDADMP CN(C(=O)C1([NH+]2CCOCC2)CCCC1)C1CC([NH2+]CC2CC2)C1 ZINC000999498738 706996582 /nfs/dbraw/zinc/99/65/82/706996582.db2.gz QNBPKZJJAFVCJZ-UHFFFAOYSA-N 2 1 335.492 1.620 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)o1 ZINC000999502175 706999911 /nfs/dbraw/zinc/99/99/11/706999911.db2.gz JKEGKAAGFMBJSJ-IUDNXUCKSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000999507716 707005400 /nfs/dbraw/zinc/00/54/00/707005400.db2.gz DMPQDIIWULJVCJ-NVXWUHKLSA-N 2 1 331.464 1.350 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(F)c3)C2)O1 ZINC000999494038 707030747 /nfs/dbraw/zinc/03/07/47/707030747.db2.gz HGYGYETWAIMZOA-ZTFGCOKTSA-N 2 1 349.450 1.625 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(F)c3)C2)O1 ZINC000999494038 707030749 /nfs/dbraw/zinc/03/07/49/707030749.db2.gz HGYGYETWAIMZOA-ZTFGCOKTSA-N 2 1 349.450 1.625 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999571834 707077571 /nfs/dbraw/zinc/07/75/71/707077571.db2.gz AIAUHNPUJIPKDB-QZTJIDSGSA-N 2 1 347.507 1.584 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999572288 707078463 /nfs/dbraw/zinc/07/84/63/707078463.db2.gz CHENYJRFSFCZRU-ZWKOTPCHSA-N 2 1 347.507 1.621 20 0 EDADMP CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC([NH2+]CC2CC2)C1 ZINC000999612644 707129021 /nfs/dbraw/zinc/12/90/21/707129021.db2.gz NPELWJIUZXKITG-UHFFFAOYSA-N 2 1 325.416 1.870 20 0 EDADMP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946697787 707155501 /nfs/dbraw/zinc/15/55/01/707155501.db2.gz YLOFCNHLXNEDPG-CEXWTWQISA-N 2 1 349.519 1.414 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000999689222 707244474 /nfs/dbraw/zinc/24/44/74/707244474.db2.gz PRVZWCDJROKJQT-AOCRQIFASA-N 2 1 337.508 1.724 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC000999724922 707265635 /nfs/dbraw/zinc/26/56/35/707265635.db2.gz LAHAAHXXWHTSBU-HOTGVXAUSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CCN(Cc2ccncc2Cl)C1 ZINC001033268325 707309540 /nfs/dbraw/zinc/30/95/40/707309540.db2.gz YZQHCUULILUUBG-OAHLLOKOSA-N 2 1 347.850 1.973 20 0 EDADMP Cc1nc(C)c(CN[C@@H]2CCCN(C(=O)CCc3nccn3C)C2)o1 ZINC000999778227 707339624 /nfs/dbraw/zinc/33/96/24/707339624.db2.gz WDFPADRALWWVHP-OAHLLOKOSA-N 2 1 345.447 1.738 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033276279 707340284 /nfs/dbraw/zinc/34/02/84/707340284.db2.gz BVZYHLGMUDXRGO-ISXWCOSWSA-N 2 1 333.476 1.182 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033276279 707340286 /nfs/dbraw/zinc/34/02/86/707340286.db2.gz BVZYHLGMUDXRGO-ISXWCOSWSA-N 2 1 333.476 1.182 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033276279 707340291 /nfs/dbraw/zinc/34/02/91/707340291.db2.gz BVZYHLGMUDXRGO-ISXWCOSWSA-N 2 1 333.476 1.182 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296289 707405998 /nfs/dbraw/zinc/40/59/98/707405998.db2.gz SHRGPSPGFIPXNS-SJLPKXTDSA-N 2 1 346.475 1.890 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296289 707405999 /nfs/dbraw/zinc/40/59/99/707405999.db2.gz SHRGPSPGFIPXNS-SJLPKXTDSA-N 2 1 346.475 1.890 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)nn1C ZINC000999837721 707408869 /nfs/dbraw/zinc/40/88/69/707408869.db2.gz QFTOPBBDLSYQNN-UHFFFAOYSA-N 2 1 330.436 1.013 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033294784 707419892 /nfs/dbraw/zinc/41/98/92/707419892.db2.gz FNPMNOJMXQYWPH-MSOLQXFVSA-N 2 1 345.491 1.290 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)n1 ZINC001033197701 707437025 /nfs/dbraw/zinc/43/70/25/707437025.db2.gz JHTIEWMIKSTDMN-QZTJIDSGSA-N 2 1 347.507 1.517 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001033197701 707437028 /nfs/dbraw/zinc/43/70/28/707437028.db2.gz JHTIEWMIKSTDMN-QZTJIDSGSA-N 2 1 347.507 1.517 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC001033197701 707437032 /nfs/dbraw/zinc/43/70/32/707437032.db2.gz JHTIEWMIKSTDMN-QZTJIDSGSA-N 2 1 347.507 1.517 20 0 EDADMP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC000999829510 707458603 /nfs/dbraw/zinc/45/86/03/707458603.db2.gz IMZIHZFAFWDVRU-NFOMZHRRSA-N 2 1 334.464 1.576 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC000999836846 707473001 /nfs/dbraw/zinc/47/30/01/707473001.db2.gz MHNJNHBAPSDAJL-GPANFISMSA-N 2 1 334.464 1.586 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)o2)C1 ZINC000999876200 707523073 /nfs/dbraw/zinc/52/30/73/707523073.db2.gz ICAMNSZOUIXIIP-NRXISQOPSA-N 2 1 335.452 1.331 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)o2)C1 ZINC000999876200 707523074 /nfs/dbraw/zinc/52/30/74/707523074.db2.gz ICAMNSZOUIXIIP-NRXISQOPSA-N 2 1 335.452 1.331 20 0 EDADMP C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004873686 707535799 /nfs/dbraw/zinc/53/57/99/707535799.db2.gz BFCVGODSYGGBCH-QAPCUYQASA-N 2 1 347.507 1.764 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cnns1 ZINC001004893372 707574958 /nfs/dbraw/zinc/57/49/58/707574958.db2.gz DDZLSHLCQBLIBZ-DZGCQCFKSA-N 2 1 348.476 1.602 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](C(C)C)C2)nn1 ZINC000999986956 707658913 /nfs/dbraw/zinc/65/89/13/707658913.db2.gz LAXNQVXYCZRFBA-IRXDYDNUSA-N 2 1 348.495 1.424 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000999986956 707658916 /nfs/dbraw/zinc/65/89/16/707658916.db2.gz LAXNQVXYCZRFBA-IRXDYDNUSA-N 2 1 348.495 1.424 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999986956 707658921 /nfs/dbraw/zinc/65/89/21/707658921.db2.gz LAXNQVXYCZRFBA-IRXDYDNUSA-N 2 1 348.495 1.424 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001033365380 707659070 /nfs/dbraw/zinc/65/90/70/707659070.db2.gz FNSURFJUCVOTFN-WBVHZDCISA-N 2 1 349.475 1.914 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001033365380 707659074 /nfs/dbraw/zinc/65/90/74/707659074.db2.gz FNSURFJUCVOTFN-WBVHZDCISA-N 2 1 349.475 1.914 20 0 EDADMP Cc1nonc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004923415 707661275 /nfs/dbraw/zinc/66/12/75/707661275.db2.gz CPVOXLQXYBGJLT-PBHICJAKSA-N 2 1 349.479 1.579 20 0 EDADMP CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)nn2)C1 ZINC000999992793 707669435 /nfs/dbraw/zinc/66/94/35/707669435.db2.gz QJCVVXLAMIQIOQ-NVXWUHKLSA-N 2 1 348.495 1.139 20 0 EDADMP CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)nn2)C1 ZINC000999992793 707669438 /nfs/dbraw/zinc/66/94/38/707669438.db2.gz QJCVVXLAMIQIOQ-NVXWUHKLSA-N 2 1 348.495 1.139 20 0 EDADMP CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)nn2)C1 ZINC000999992793 707669441 /nfs/dbraw/zinc/66/94/41/707669441.db2.gz QJCVVXLAMIQIOQ-NVXWUHKLSA-N 2 1 348.495 1.139 20 0 EDADMP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357380 707675375 /nfs/dbraw/zinc/67/53/75/707675375.db2.gz DYYAWSNEQUAAHQ-IRXDYDNUSA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357380 707675376 /nfs/dbraw/zinc/67/53/76/707675376.db2.gz DYYAWSNEQUAAHQ-IRXDYDNUSA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357380 707675377 /nfs/dbraw/zinc/67/53/77/707675377.db2.gz DYYAWSNEQUAAHQ-IRXDYDNUSA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357380 707675378 /nfs/dbraw/zinc/67/53/78/707675378.db2.gz DYYAWSNEQUAAHQ-IRXDYDNUSA-N 2 1 325.497 1.674 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCCOC1 ZINC001032736540 707750482 /nfs/dbraw/zinc/75/04/82/707750482.db2.gz RIIKRNMYACKDOE-PMPSAXMXSA-N 2 1 344.459 1.473 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCCOC1 ZINC001032736540 707750487 /nfs/dbraw/zinc/75/04/87/707750487.db2.gz RIIKRNMYACKDOE-PMPSAXMXSA-N 2 1 344.459 1.473 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)ccn1 ZINC001033415785 707792798 /nfs/dbraw/zinc/79/27/98/707792798.db2.gz KUZXADYNJAOMPT-DOTOQJQBSA-N 2 1 346.475 1.607 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)ccn1 ZINC001033415785 707792801 /nfs/dbraw/zinc/79/28/01/707792801.db2.gz KUZXADYNJAOMPT-DOTOQJQBSA-N 2 1 346.475 1.607 20 0 EDADMP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)ccn1 ZINC001033415785 707792804 /nfs/dbraw/zinc/79/28/04/707792804.db2.gz KUZXADYNJAOMPT-DOTOQJQBSA-N 2 1 346.475 1.607 20 0 EDADMP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)ccn1 ZINC001033415785 707792805 /nfs/dbraw/zinc/79/28/05/707792805.db2.gz KUZXADYNJAOMPT-DOTOQJQBSA-N 2 1 346.475 1.607 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033418026 707800957 /nfs/dbraw/zinc/80/09/57/707800957.db2.gz ZGOGLTIYFZBEQL-NVXWUHKLSA-N 2 1 346.475 1.607 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033418026 707800958 /nfs/dbraw/zinc/80/09/58/707800958.db2.gz ZGOGLTIYFZBEQL-NVXWUHKLSA-N 2 1 346.475 1.607 20 0 EDADMP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001033418026 707800959 /nfs/dbraw/zinc/80/09/59/707800959.db2.gz ZGOGLTIYFZBEQL-NVXWUHKLSA-N 2 1 346.475 1.607 20 0 EDADMP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001033418026 707800960 /nfs/dbraw/zinc/80/09/60/707800960.db2.gz ZGOGLTIYFZBEQL-NVXWUHKLSA-N 2 1 346.475 1.607 20 0 EDADMP C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001004984019 707830820 /nfs/dbraw/zinc/83/08/20/707830820.db2.gz KSTOSGYUIJMQLB-WBVHZDCISA-N 2 1 349.479 1.661 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423999 707841074 /nfs/dbraw/zinc/84/10/74/707841074.db2.gz WHAIMIJWQXRALX-YJBOKZPZSA-N 2 1 333.476 1.318 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001033425386 707845145 /nfs/dbraw/zinc/84/51/45/707845145.db2.gz IVALMFXATYHUBJ-IRXDYDNUSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CC[C@H]2CCOC2)C1 ZINC001033425386 707845147 /nfs/dbraw/zinc/84/51/47/707845147.db2.gz IVALMFXATYHUBJ-IRXDYDNUSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CC[C@H]2CCOC2)C1 ZINC001033425386 707845150 /nfs/dbraw/zinc/84/51/50/707845150.db2.gz IVALMFXATYHUBJ-IRXDYDNUSA-N 2 1 337.508 1.678 20 0 EDADMP Cn1cncc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032759585 707869552 /nfs/dbraw/zinc/86/95/52/707869552.db2.gz UCSFUVGYEPEMTB-HOTGVXAUSA-N 2 1 332.448 1.207 20 0 EDADMP Cn1cncc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032759585 707869554 /nfs/dbraw/zinc/86/95/54/707869554.db2.gz UCSFUVGYEPEMTB-HOTGVXAUSA-N 2 1 332.448 1.207 20 0 EDADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033505313 707973936 /nfs/dbraw/zinc/97/39/36/707973936.db2.gz QFAKHGDNPPYXKR-PKOBYXMFSA-N 2 1 345.487 1.931 20 0 EDADMP CO[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001144936 708106816 /nfs/dbraw/zinc/10/68/16/708106816.db2.gz RWNNIBXFPXGJMT-PBHICJAKSA-N 2 1 346.475 1.537 20 0 EDADMP CO[C@H](C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001144936 708106818 /nfs/dbraw/zinc/10/68/18/708106818.db2.gz RWNNIBXFPXGJMT-PBHICJAKSA-N 2 1 346.475 1.537 20 0 EDADMP Cc1nc([C@@H](C)N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n[nH]1 ZINC001001420117 708146007 /nfs/dbraw/zinc/14/60/07/708146007.db2.gz FUQUMZZCRNTFNK-XJKCOSOUSA-N 2 1 348.495 1.343 20 0 EDADMP Cc1nc([C@@H](C)N2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n[nH]1 ZINC001001420117 708146012 /nfs/dbraw/zinc/14/60/12/708146012.db2.gz FUQUMZZCRNTFNK-XJKCOSOUSA-N 2 1 348.495 1.343 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CC[NH+](CCCO)CC2)C1 ZINC001001739000 708254193 /nfs/dbraw/zinc/25/41/93/708254193.db2.gz PTNRJPXYPYIFQT-KRWDZBQOSA-N 2 1 325.497 1.319 20 0 EDADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033579888 708259630 /nfs/dbraw/zinc/25/96/30/708259630.db2.gz AHHKFNHWDGVMGX-PBHICJAKSA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033579888 708259631 /nfs/dbraw/zinc/25/96/31/708259631.db2.gz AHHKFNHWDGVMGX-PBHICJAKSA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033579888 708259632 /nfs/dbraw/zinc/25/96/32/708259632.db2.gz AHHKFNHWDGVMGX-PBHICJAKSA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033579888 708259633 /nfs/dbraw/zinc/25/96/33/708259633.db2.gz AHHKFNHWDGVMGX-PBHICJAKSA-N 2 1 334.439 1.595 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033583333 708267429 /nfs/dbraw/zinc/26/74/29/708267429.db2.gz SYZNPZUGBHMBCQ-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033583333 708267432 /nfs/dbraw/zinc/26/74/32/708267432.db2.gz SYZNPZUGBHMBCQ-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033583333 708267434 /nfs/dbraw/zinc/26/74/34/708267434.db2.gz SYZNPZUGBHMBCQ-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC001033594847 708296801 /nfs/dbraw/zinc/29/68/01/708296801.db2.gz RIIMPGIKJOBWKB-HNNXBMFYSA-N 2 1 348.516 1.888 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)cc1F ZINC001033663777 708444804 /nfs/dbraw/zinc/44/48/04/708444804.db2.gz YWWFIPFVKBHENH-JKSUJKDBSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)cc1F ZINC001033663777 708444805 /nfs/dbraw/zinc/44/48/05/708444805.db2.gz YWWFIPFVKBHENH-JKSUJKDBSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1F ZINC001033663777 708444807 /nfs/dbraw/zinc/44/48/07/708444807.db2.gz YWWFIPFVKBHENH-JKSUJKDBSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001033663777 708444808 /nfs/dbraw/zinc/44/48/08/708444808.db2.gz YWWFIPFVKBHENH-JKSUJKDBSA-N 2 1 349.450 1.819 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)s1 ZINC001033665079 708447381 /nfs/dbraw/zinc/44/73/81/708447381.db2.gz LFSYYMYHBCIBSA-GJZGRUSLSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)s1 ZINC001033665079 708447384 /nfs/dbraw/zinc/44/73/84/708447384.db2.gz LFSYYMYHBCIBSA-GJZGRUSLSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)s1 ZINC001033665079 708447385 /nfs/dbraw/zinc/44/73/85/708447385.db2.gz LFSYYMYHBCIBSA-GJZGRUSLSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nsc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033665812 708449783 /nfs/dbraw/zinc/44/97/83/708449783.db2.gz RRKIDQSSRBYWTP-GJZGRUSLSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033665812 708449785 /nfs/dbraw/zinc/44/97/85/708449785.db2.gz RRKIDQSSRBYWTP-GJZGRUSLSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033665812 708449786 /nfs/dbraw/zinc/44/97/86/708449786.db2.gz RRKIDQSSRBYWTP-GJZGRUSLSA-N 2 1 336.505 1.744 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033686727 708501422 /nfs/dbraw/zinc/50/14/22/708501422.db2.gz SLKNFAOLNOZLEM-ZWKOTPCHSA-N 2 1 347.507 1.370 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033686727 708501425 /nfs/dbraw/zinc/50/14/25/708501425.db2.gz SLKNFAOLNOZLEM-ZWKOTPCHSA-N 2 1 347.507 1.370 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033686727 708501426 /nfs/dbraw/zinc/50/14/26/708501426.db2.gz SLKNFAOLNOZLEM-ZWKOTPCHSA-N 2 1 347.507 1.370 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](C[C@@H](C)O)CC1 ZINC001002037880 708558804 /nfs/dbraw/zinc/55/88/04/708558804.db2.gz QZCLOZZWFWYNEP-SJLPKXTDSA-N 2 1 339.524 1.850 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001002159227 708673091 /nfs/dbraw/zinc/67/30/91/708673091.db2.gz PMXVZWKYIBYOPK-GOSISDBHSA-N 2 1 347.507 1.623 20 0 EDADMP Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c(N2CCCC2)[nH+]1 ZINC000921873873 708748733 /nfs/dbraw/zinc/74/87/33/708748733.db2.gz NSKLTEJXFSGHRT-GOEBONIOSA-N 2 1 331.464 1.882 20 0 EDADMP Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)c(N2CCCC2)[nH+]1 ZINC000921873873 708748734 /nfs/dbraw/zinc/74/87/34/708748734.db2.gz NSKLTEJXFSGHRT-GOEBONIOSA-N 2 1 331.464 1.882 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033835323 708862591 /nfs/dbraw/zinc/86/25/91/708862591.db2.gz XZSZSLCPKIFMTI-ZTFGCOKTSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033835323 708862593 /nfs/dbraw/zinc/86/25/93/708862593.db2.gz XZSZSLCPKIFMTI-ZTFGCOKTSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033835323 708862595 /nfs/dbraw/zinc/86/25/95/708862595.db2.gz XZSZSLCPKIFMTI-ZTFGCOKTSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033835323 708862597 /nfs/dbraw/zinc/86/25/97/708862597.db2.gz XZSZSLCPKIFMTI-ZTFGCOKTSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001033869625 708957662 /nfs/dbraw/zinc/95/76/62/708957662.db2.gz TWSCDYYAGDAVSE-IXDOHACOSA-N 2 1 325.497 1.674 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033869625 708957664 /nfs/dbraw/zinc/95/76/64/708957664.db2.gz TWSCDYYAGDAVSE-IXDOHACOSA-N 2 1 325.497 1.674 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001033869625 708957665 /nfs/dbraw/zinc/95/76/65/708957665.db2.gz TWSCDYYAGDAVSE-IXDOHACOSA-N 2 1 325.497 1.674 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001033869625 708957667 /nfs/dbraw/zinc/95/76/67/708957667.db2.gz TWSCDYYAGDAVSE-IXDOHACOSA-N 2 1 325.497 1.674 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033928539 709060358 /nfs/dbraw/zinc/06/03/58/709060358.db2.gz ZZGGBNRYQVCETH-IRXDYDNUSA-N 2 1 333.480 1.327 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033928539 709060361 /nfs/dbraw/zinc/06/03/61/709060361.db2.gz ZZGGBNRYQVCETH-IRXDYDNUSA-N 2 1 333.480 1.327 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033928539 709060365 /nfs/dbraw/zinc/06/03/65/709060365.db2.gz ZZGGBNRYQVCETH-IRXDYDNUSA-N 2 1 333.480 1.327 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033928539 709060369 /nfs/dbraw/zinc/06/03/69/709060369.db2.gz ZZGGBNRYQVCETH-IRXDYDNUSA-N 2 1 333.480 1.327 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001034018143 709235770 /nfs/dbraw/zinc/23/57/70/709235770.db2.gz XNQUEERWKXJCHJ-IRXDYDNUSA-N 2 1 335.492 1.574 20 0 EDADMP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005499047 709275157 /nfs/dbraw/zinc/27/51/57/709275157.db2.gz XHAHGZCOGANXPK-SJORKVTESA-N 2 1 339.524 1.922 20 0 EDADMP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001005502260 709330177 /nfs/dbraw/zinc/33/01/77/709330177.db2.gz BIWSAVOYNSZSFH-GDBMZVCRSA-N 2 1 334.464 1.718 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001002790979 709398596 /nfs/dbraw/zinc/39/85/96/709398596.db2.gz CVFRYASUKBEYOH-SFHVURJKSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002790979 709398598 /nfs/dbraw/zinc/39/85/98/709398598.db2.gz CVFRYASUKBEYOH-SFHVURJKSA-N 2 1 345.491 1.738 20 0 EDADMP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001002813035 709420738 /nfs/dbraw/zinc/42/07/38/709420738.db2.gz WGQJXDSBHXELCT-SJLPKXTDSA-N 2 1 345.491 1.338 20 0 EDADMP Cc1cccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC001034149329 709420760 /nfs/dbraw/zinc/42/07/60/709420760.db2.gz VRYQJOOFAWEULF-OALUTQOASA-N 2 1 345.487 1.796 20 0 EDADMP Cc1cccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001034149329 709420763 /nfs/dbraw/zinc/42/07/63/709420763.db2.gz VRYQJOOFAWEULF-OALUTQOASA-N 2 1 345.487 1.796 20 0 EDADMP Cc1cccc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)c1 ZINC001034149329 709420766 /nfs/dbraw/zinc/42/07/66/709420766.db2.gz VRYQJOOFAWEULF-OALUTQOASA-N 2 1 345.487 1.796 20 0 EDADMP Cc1cccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)c1 ZINC001034149329 709420767 /nfs/dbraw/zinc/42/07/67/709420767.db2.gz VRYQJOOFAWEULF-OALUTQOASA-N 2 1 345.487 1.796 20 0 EDADMP COC[C@H](C)[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034257526 709641992 /nfs/dbraw/zinc/64/19/92/709641992.db2.gz KIARMJLJOOGJJI-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP Cn1cncc1C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034385750 709913763 /nfs/dbraw/zinc/91/37/63/709913763.db2.gz NQUZMHGJHMKFKN-INIZCTEOSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1cncc1C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034385750 709913766 /nfs/dbraw/zinc/91/37/66/709913766.db2.gz NQUZMHGJHMKFKN-INIZCTEOSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)o1 ZINC001034394998 709932301 /nfs/dbraw/zinc/93/23/01/709932301.db2.gz TXKXMEIHIZDRCH-GOEBONIOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)o1 ZINC001034394998 709932304 /nfs/dbraw/zinc/93/23/04/709932304.db2.gz TXKXMEIHIZDRCH-GOEBONIOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)o1 ZINC001034394998 709932305 /nfs/dbraw/zinc/93/23/05/709932305.db2.gz TXKXMEIHIZDRCH-GOEBONIOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)o1 ZINC001034394998 709932308 /nfs/dbraw/zinc/93/23/08/709932308.db2.gz TXKXMEIHIZDRCH-GOEBONIOSA-N 2 1 334.464 1.796 20 0 EDADMP COC[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034431923 710000038 /nfs/dbraw/zinc/00/00/38/710000038.db2.gz QKYLENVJXPHPEY-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](CC3CCOCC3)C2)C1 ZINC001034490682 710109296 /nfs/dbraw/zinc/10/92/96/710109296.db2.gz MQIUJFOCWCUYSI-MSOLQXFVSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@H+](CC3CCOCC3)C2)C1 ZINC001034490682 710109299 /nfs/dbraw/zinc/10/92/99/710109299.db2.gz MQIUJFOCWCUYSI-MSOLQXFVSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@@H+](CC3CCOCC3)C2)C1 ZINC001034490682 710109302 /nfs/dbraw/zinc/10/93/02/710109302.db2.gz MQIUJFOCWCUYSI-MSOLQXFVSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034490822 710110315 /nfs/dbraw/zinc/11/03/15/710110315.db2.gz NZGXAKXOBMRFFV-HOTGVXAUSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490822 710110318 /nfs/dbraw/zinc/11/03/18/710110318.db2.gz NZGXAKXOBMRFFV-HOTGVXAUSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490822 710110321 /nfs/dbraw/zinc/11/03/21/710110321.db2.gz NZGXAKXOBMRFFV-HOTGVXAUSA-N 2 1 334.464 1.796 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](CCc2ccns2)C1)C12CC[NH+](CC1)C2 ZINC001034491782 710112553 /nfs/dbraw/zinc/11/25/53/710112553.db2.gz XEJZBHJMISUMQT-HNNXBMFYSA-N 2 1 348.516 1.752 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccc(F)cn2)CC1)C12CCC[NH+]1CCC2 ZINC001003244639 710167680 /nfs/dbraw/zinc/16/76/80/710167680.db2.gz REJVSGDLMGUGHO-UHFFFAOYSA-N 2 1 346.450 1.930 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CCOc3ccccc3)C2)C1 ZINC001034526025 710177834 /nfs/dbraw/zinc/17/78/34/710177834.db2.gz RUVDPLPARJBPBL-MSOLQXFVSA-N 2 1 345.487 1.988 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCOc3ccccc3)C2)C1 ZINC001034526025 710177838 /nfs/dbraw/zinc/17/78/38/710177838.db2.gz RUVDPLPARJBPBL-MSOLQXFVSA-N 2 1 345.487 1.988 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCOc3ccccc3)C2)C1 ZINC001034526025 710177841 /nfs/dbraw/zinc/17/78/41/710177841.db2.gz RUVDPLPARJBPBL-MSOLQXFVSA-N 2 1 345.487 1.988 20 0 EDADMP CCOC1CC(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001034529407 710183861 /nfs/dbraw/zinc/18/38/61/710183861.db2.gz ZOMIPISDMCMZDH-LXPRWKDFSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCOCC2)CC1 ZINC001034610706 710284873 /nfs/dbraw/zinc/28/48/73/710284873.db2.gz ZJKFHJLYDRHGLG-BZSNNMDCSA-N 2 1 337.508 1.914 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001034613357 710288356 /nfs/dbraw/zinc/28/83/56/710288356.db2.gz ZXJDMKMVEFEZCA-BZUAXINKSA-N 2 1 348.495 1.470 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1 ZINC001034646166 710322308 /nfs/dbraw/zinc/32/23/08/710322308.db2.gz DDQXOBIPUUHNTM-XSLAGTTESA-N 2 1 337.508 1.913 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CC[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC001003492785 710375335 /nfs/dbraw/zinc/37/53/35/710375335.db2.gz OLXQOVOSQISCKV-BQFCYCMXSA-N 2 1 337.508 1.866 20 0 EDADMP CC[C@H](C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001003482676 710376945 /nfs/dbraw/zinc/37/69/45/710376945.db2.gz BZBCOSCVWUMRIX-RDJZCZTQSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@H](C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001003482676 710376946 /nfs/dbraw/zinc/37/69/46/710376946.db2.gz BZBCOSCVWUMRIX-RDJZCZTQSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1ncccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001003625534 710454831 /nfs/dbraw/zinc/45/48/31/710454831.db2.gz HPCNNFWXACXDND-HNNXBMFYSA-N 2 1 330.476 1.812 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001003627981 710457947 /nfs/dbraw/zinc/45/79/47/710457947.db2.gz LBPGMKOFLVRTBF-UKRRQHHQSA-N 2 1 345.434 1.476 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003629001 710458984 /nfs/dbraw/zinc/45/89/84/710458984.db2.gz WLWZCOQZJXMTQL-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003629001 710458985 /nfs/dbraw/zinc/45/89/85/710458985.db2.gz WLWZCOQZJXMTQL-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003630694 710460023 /nfs/dbraw/zinc/46/00/23/710460023.db2.gz NAUYASAKCIXKBL-LRDDRELGSA-N 2 1 334.464 1.570 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CCc3ccns3)CC2)C1 ZINC001003631071 710460194 /nfs/dbraw/zinc/46/01/94/710460194.db2.gz QSKCZBAGQBQNKN-AWEZNQCLSA-N 2 1 336.505 1.608 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003636999 710466717 /nfs/dbraw/zinc/46/67/17/710466717.db2.gz ZCEHRVAUAULVTQ-PBHICJAKSA-N 2 1 346.475 1.369 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003636999 710466719 /nfs/dbraw/zinc/46/67/19/710466719.db2.gz ZCEHRVAUAULVTQ-PBHICJAKSA-N 2 1 346.475 1.369 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CCN(Cc2cnnn2C)CC1 ZINC001003737400 710518656 /nfs/dbraw/zinc/51/86/56/710518656.db2.gz LYVJVGPBXZUROD-KRWDZBQOSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001003738185 710519090 /nfs/dbraw/zinc/51/90/90/710519090.db2.gz ZRDQXXBDDOKEHD-GOSISDBHSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001003738185 710519091 /nfs/dbraw/zinc/51/90/91/710519091.db2.gz ZRDQXXBDDOKEHD-GOSISDBHSA-N 2 1 347.507 1.764 20 0 EDADMP CC[C@@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1)OC ZINC001005592395 710639452 /nfs/dbraw/zinc/63/94/52/710639452.db2.gz LOYLDXRQHMZART-IRXDYDNUSA-N 2 1 325.497 1.819 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2ncc(C)cn2)CC1 ZINC001034692346 710780734 /nfs/dbraw/zinc/78/07/34/710780734.db2.gz HQXXNIDRFFUBBG-WKILWMFISA-N 2 1 342.447 1.507 20 0 EDADMP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001034732631 710910602 /nfs/dbraw/zinc/91/06/02/710910602.db2.gz FSMYOTMMDFYEJS-YRBFXIGRSA-N 2 1 343.487 1.597 20 0 EDADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1 ZINC001034735334 710920441 /nfs/dbraw/zinc/92/04/41/710920441.db2.gz FOIDIAXHKVEKLW-IHRRRGAJSA-N 2 1 337.493 1.539 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1 ZINC001034735334 710920442 /nfs/dbraw/zinc/92/04/42/710920442.db2.gz FOIDIAXHKVEKLW-IHRRRGAJSA-N 2 1 337.493 1.539 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC001034737892 710951483 /nfs/dbraw/zinc/95/14/83/710951483.db2.gz ODNFTEATUYRQOT-KKUMJFAQSA-N 2 1 349.479 1.633 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001034737892 710951486 /nfs/dbraw/zinc/95/14/86/710951486.db2.gz ODNFTEATUYRQOT-KKUMJFAQSA-N 2 1 349.479 1.633 20 0 EDADMP CCCc1nc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001034792714 711120268 /nfs/dbraw/zinc/12/02/68/711120268.db2.gz MEVIXMKSHKSWMT-RBSFLKMASA-N 2 1 349.479 1.491 20 0 EDADMP CCCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC001034792714 711120269 /nfs/dbraw/zinc/12/02/69/711120269.db2.gz MEVIXMKSHKSWMT-RBSFLKMASA-N 2 1 349.479 1.491 20 0 EDADMP CCCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001034792714 711120274 /nfs/dbraw/zinc/12/02/74/711120274.db2.gz MEVIXMKSHKSWMT-RBSFLKMASA-N 2 1 349.479 1.491 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001034792716 711121170 /nfs/dbraw/zinc/12/11/70/711121170.db2.gz MGMBRZOWASOBOD-FAAHXZRKSA-N 2 1 335.452 1.408 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003968101 711139124 /nfs/dbraw/zinc/13/91/24/711139124.db2.gz QRKAUMQRCHXNCH-HNNXBMFYSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC001005719658 711143310 /nfs/dbraw/zinc/14/33/10/711143310.db2.gz UCKALMQDVYPJLC-VQIMIIECSA-N 2 1 346.475 1.541 20 0 EDADMP CCn1ccnc1CN1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003968710 711144408 /nfs/dbraw/zinc/14/44/08/711144408.db2.gz SZSZFLIQVVUICK-OAHLLOKOSA-N 2 1 333.480 1.325 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]Cc3ccccn3)cc2)C1 ZINC001034831745 711237997 /nfs/dbraw/zinc/23/79/97/711237997.db2.gz XDLQAEXBQPEFEB-SFHVURJKSA-N 2 1 338.455 1.939 20 0 EDADMP Cn1cc(Cl)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001034884344 711287293 /nfs/dbraw/zinc/28/72/93/711287293.db2.gz GEJWNVRFQLJOQV-DOMZBBRYSA-N 2 1 339.871 1.248 20 0 EDADMP Cn1cc(Cl)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001034884344 711287296 /nfs/dbraw/zinc/28/72/96/711287296.db2.gz GEJWNVRFQLJOQV-DOMZBBRYSA-N 2 1 339.871 1.248 20 0 EDADMP CC(C)c1ocnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001034885499 711289892 /nfs/dbraw/zinc/28/98/92/711289892.db2.gz VGNVSTQEODLOFU-GDBMZVCRSA-N 2 1 334.464 1.973 20 0 EDADMP CC(C)c1ocnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001034885499 711289893 /nfs/dbraw/zinc/28/98/93/711289893.db2.gz VGNVSTQEODLOFU-GDBMZVCRSA-N 2 1 334.464 1.973 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(Cl)n1 ZINC001034885538 711290295 /nfs/dbraw/zinc/29/02/95/711290295.db2.gz VWCPSQXVAZHVCN-CHWSQXEVSA-N 2 1 342.896 1.971 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(Cl)n1 ZINC001034885538 711290296 /nfs/dbraw/zinc/29/02/96/711290296.db2.gz VWCPSQXVAZHVCN-CHWSQXEVSA-N 2 1 342.896 1.971 20 0 EDADMP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005741548 711315752 /nfs/dbraw/zinc/31/57/52/711315752.db2.gz MMBCZIGBZSCFMM-IPCDKGFNSA-N 2 1 347.503 1.739 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(C)cn1 ZINC001034953839 711419373 /nfs/dbraw/zinc/41/93/73/711419373.db2.gz KADHNJGXLZEXAJ-MSOLQXFVSA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)no1 ZINC001034954850 711421729 /nfs/dbraw/zinc/42/17/29/711421729.db2.gz WBWFXYQHSXZBTC-NVXWUHKLSA-N 2 1 334.464 1.938 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ncnn1C ZINC001034958153 711431149 /nfs/dbraw/zinc/43/11/49/711431149.db2.gz BOTKJUZBQVEDOT-HZPDHXFCSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ncnn1C ZINC001034958153 711431150 /nfs/dbraw/zinc/43/11/50/711431150.db2.gz BOTKJUZBQVEDOT-HZPDHXFCSA-N 2 1 348.495 1.159 20 0 EDADMP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)ncn1 ZINC001034937029 711437553 /nfs/dbraw/zinc/43/75/53/711437553.db2.gz ZJSSTTQDQKLSQN-QZTJIDSGSA-N 2 1 345.491 1.738 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001034937020 711437684 /nfs/dbraw/zinc/43/76/84/711437684.db2.gz ZDNWXCYCDXOCIY-SJORKVTESA-N 2 1 333.480 1.374 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1F ZINC001004145918 711555888 /nfs/dbraw/zinc/55/58/88/711555888.db2.gz WRWPGBIFQFZBAG-OAHLLOKOSA-N 2 1 349.450 1.867 20 0 EDADMP CCOc1cccc(C[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)n1 ZINC001004148496 711561703 /nfs/dbraw/zinc/56/17/03/711561703.db2.gz SGLPCXJZKHJNBA-UHFFFAOYSA-N 2 1 346.475 1.657 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001004149926 711564506 /nfs/dbraw/zinc/56/45/06/711564506.db2.gz NXEFDPKAHGPWSH-CQSZACIVSA-N 2 1 334.464 1.578 20 0 EDADMP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004472244 711848836 /nfs/dbraw/zinc/84/88/36/711848836.db2.gz FQUIJUKNZGSCPQ-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2Cc2cnon2)CC1)[NH+](C)C ZINC001004474973 711851774 /nfs/dbraw/zinc/85/17/74/711851774.db2.gz QGBPNXDYKRZBBO-SJORKVTESA-N 2 1 349.479 1.613 20 0 EDADMP O=C(N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1)C12CCC[NH+]1CCC2 ZINC001004478624 711859015 /nfs/dbraw/zinc/85/90/15/711859015.db2.gz XDXVYICETIBYRX-KRWDZBQOSA-N 2 1 335.492 1.310 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCOC)C[C@H]2CC1 ZINC000946614988 711862926 /nfs/dbraw/zinc/86/29/26/711862926.db2.gz HWUHBIXFFSEGPU-KSZLIROESA-N 2 1 337.508 1.678 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCOC)C[C@H]2CC1 ZINC000946614988 711862928 /nfs/dbraw/zinc/86/29/28/711862928.db2.gz HWUHBIXFFSEGPU-KSZLIROESA-N 2 1 337.508 1.678 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCOC)C[C@H]2CC1 ZINC000946614988 711862930 /nfs/dbraw/zinc/86/29/30/711862930.db2.gz HWUHBIXFFSEGPU-KSZLIROESA-N 2 1 337.508 1.678 20 0 EDADMP C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004523454 711924116 /nfs/dbraw/zinc/92/41/16/711924116.db2.gz QVXNFGLJJUKINI-CRAIPNDOSA-N 2 1 337.508 1.412 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCn3cccn3)C2)C1 ZINC001033144008 711959612 /nfs/dbraw/zinc/95/96/12/711959612.db2.gz PKPVASMMBQWAJI-QZTJIDSGSA-N 2 1 347.507 1.394 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCn3cccn3)C2)C1 ZINC001033144008 711959615 /nfs/dbraw/zinc/95/96/15/711959615.db2.gz PKPVASMMBQWAJI-QZTJIDSGSA-N 2 1 347.507 1.394 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCn3cccn3)C2)C1 ZINC001033144008 711959616 /nfs/dbraw/zinc/95/96/16/711959616.db2.gz PKPVASMMBQWAJI-QZTJIDSGSA-N 2 1 347.507 1.394 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033152220 712135526 /nfs/dbraw/zinc/13/55/26/712135526.db2.gz NNFQOMQLTAZWMD-IRXDYDNUSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033152220 712135527 /nfs/dbraw/zinc/13/55/27/712135527.db2.gz NNFQOMQLTAZWMD-IRXDYDNUSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033152220 712135529 /nfs/dbraw/zinc/13/55/29/712135529.db2.gz NNFQOMQLTAZWMD-IRXDYDNUSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033152220 712135530 /nfs/dbraw/zinc/13/55/30/712135530.db2.gz NNFQOMQLTAZWMD-IRXDYDNUSA-N 2 1 347.507 1.716 20 0 EDADMP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000369048553 282131975 /nfs/dbraw/zinc/13/19/75/282131975.db2.gz WEAMGSVRNUVEMC-KURKYZTESA-N 2 1 346.475 1.452 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)COCC(F)(F)F ZINC000367925466 282215426 /nfs/dbraw/zinc/21/54/26/282215426.db2.gz LUMKUDJGVVMMCK-RQJABVFESA-N 2 1 340.386 1.110 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000173936853 529787386 /nfs/dbraw/zinc/78/73/86/529787386.db2.gz LBCBRACYJIUWAB-SFHVURJKSA-N 2 1 331.460 1.140 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000173936853 529787387 /nfs/dbraw/zinc/78/73/87/529787387.db2.gz LBCBRACYJIUWAB-SFHVURJKSA-N 2 1 331.460 1.140 20 0 EDADMP CCOC(=O)CCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000102515009 219207941 /nfs/dbraw/zinc/20/79/41/219207941.db2.gz XZIAFJVGQQMYGB-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000561176989 306283841 /nfs/dbraw/zinc/28/38/41/306283841.db2.gz HHSCVKBFSQHNFO-XIRDDKMYSA-N 2 1 334.464 1.312 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000561176989 306283842 /nfs/dbraw/zinc/28/38/42/306283842.db2.gz HHSCVKBFSQHNFO-XIRDDKMYSA-N 2 1 334.464 1.312 20 0 EDADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000337397210 539689481 /nfs/dbraw/zinc/68/94/81/539689481.db2.gz NPZGKENKSMSNOR-RDJZCZTQSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000151166935 539744051 /nfs/dbraw/zinc/74/40/51/539744051.db2.gz RPYJRDQBNIKZGR-ZNMIVQPWSA-N 2 1 328.501 1.371 20 0 EDADMP C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000151166935 539744055 /nfs/dbraw/zinc/74/40/55/539744055.db2.gz RPYJRDQBNIKZGR-ZNMIVQPWSA-N 2 1 328.501 1.371 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000343018152 539776658 /nfs/dbraw/zinc/77/66/58/539776658.db2.gz VRHGIECXXRLNNV-HOTGVXAUSA-N 2 1 340.512 1.070 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)[N@H+](C)C1 ZINC000343310548 539784612 /nfs/dbraw/zinc/78/46/12/539784612.db2.gz DCEPWXLXSAPUTQ-WMZOPIPTSA-N 2 1 346.475 1.404 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)[N@@H+](C)C1 ZINC000343310548 539784618 /nfs/dbraw/zinc/78/46/18/539784618.db2.gz DCEPWXLXSAPUTQ-WMZOPIPTSA-N 2 1 346.475 1.404 20 0 EDADMP COCCN(C)C[C@H](O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000562441643 306298623 /nfs/dbraw/zinc/29/86/23/306298623.db2.gz CNCICXTXLKKBJH-OALUTQOASA-N 2 1 335.492 1.526 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000181511390 234212361 /nfs/dbraw/zinc/21/23/61/234212361.db2.gz FWXIKJORGQLGOV-DGCLKSJQSA-N 2 1 331.507 1.407 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000181511390 234212365 /nfs/dbraw/zinc/21/23/65/234212365.db2.gz FWXIKJORGQLGOV-DGCLKSJQSA-N 2 1 331.507 1.407 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000562751373 306307881 /nfs/dbraw/zinc/30/78/81/306307881.db2.gz OIXBBMYBJNNHSM-QZTJIDSGSA-N 2 1 344.459 1.415 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000562807574 306309882 /nfs/dbraw/zinc/30/98/82/306309882.db2.gz LFUTXQCZKNJIRO-YESZJQIVSA-N 2 1 338.496 1.271 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000562998804 306315157 /nfs/dbraw/zinc/31/51/57/306315157.db2.gz QLUTYJORMCXGII-XVLXNVKGSA-N 2 1 348.487 1.830 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000563205669 306323540 /nfs/dbraw/zinc/32/35/40/306323540.db2.gz AOINUAJZZHMTMP-PKOBYXMFSA-N 2 1 337.508 1.726 20 0 EDADMP Cn1cncc1CNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000290650098 540090067 /nfs/dbraw/zinc/09/00/67/540090067.db2.gz IRCJBLOZZUVOFB-UHFFFAOYSA-N 2 1 327.432 1.668 20 0 EDADMP CCC[N@H+](CC(=O)N1CCCC[C@@H]1C(=O)OCC)C1CC[NH2+]CC1 ZINC000420327749 283091922 /nfs/dbraw/zinc/09/19/22/283091922.db2.gz YZNZGEAFGYWSEK-MRXNPFEDSA-N 2 1 339.480 1.395 20 0 EDADMP CCC[N@@H+](CC(=O)N1CCCC[C@@H]1C(=O)OCC)C1CC[NH2+]CC1 ZINC000420327749 283091923 /nfs/dbraw/zinc/09/19/23/283091923.db2.gz YZNZGEAFGYWSEK-MRXNPFEDSA-N 2 1 339.480 1.395 20 0 EDADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000563347307 306328745 /nfs/dbraw/zinc/32/87/45/306328745.db2.gz QMAQVRCHTUIKFP-IBGZPJMESA-N 2 1 328.460 1.807 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000090914265 138280907 /nfs/dbraw/zinc/28/09/07/138280907.db2.gz XWKXQSXEIBCOOO-XIHRTOKZSA-N 2 1 331.504 1.940 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000090914265 138280908 /nfs/dbraw/zinc/28/09/08/138280908.db2.gz XWKXQSXEIBCOOO-XIHRTOKZSA-N 2 1 331.504 1.940 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000090914265 138280909 /nfs/dbraw/zinc/28/09/09/138280909.db2.gz XWKXQSXEIBCOOO-XIHRTOKZSA-N 2 1 331.504 1.940 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000090914265 138280910 /nfs/dbraw/zinc/28/09/10/138280910.db2.gz XWKXQSXEIBCOOO-XIHRTOKZSA-N 2 1 331.504 1.940 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000090914265 138280911 /nfs/dbraw/zinc/28/09/11/138280911.db2.gz XWKXQSXEIBCOOO-XIHRTOKZSA-N 2 1 331.504 1.940 20 0 EDADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000097257304 138296653 /nfs/dbraw/zinc/29/66/53/138296653.db2.gz DFJQZANZCQUMJY-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000097257304 138296654 /nfs/dbraw/zinc/29/66/54/138296654.db2.gz DFJQZANZCQUMJY-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000125498587 138334474 /nfs/dbraw/zinc/33/44/74/138334474.db2.gz BLCBSJNMOLMYKB-KRWDZBQOSA-N 2 1 334.464 1.685 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000125498587 138334475 /nfs/dbraw/zinc/33/44/75/138334475.db2.gz BLCBSJNMOLMYKB-KRWDZBQOSA-N 2 1 334.464 1.685 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000186999929 236091322 /nfs/dbraw/zinc/09/13/22/236091322.db2.gz UYTYPCGQCCDRGJ-GOSISDBHSA-N 2 1 348.491 1.181 20 0 EDADMP C[C@@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000563945052 306352856 /nfs/dbraw/zinc/35/28/56/306352856.db2.gz MHDACUSZVCUVGI-WBVHZDCISA-N 2 1 330.476 1.732 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413844126 304080401 /nfs/dbraw/zinc/08/04/01/304080401.db2.gz LFSNDQUWGPCYHE-BBWFWOEESA-N 2 1 338.540 1.780 20 0 EDADMP CCN1CC[NH+](CCC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000564658195 306362559 /nfs/dbraw/zinc/36/25/59/306362559.db2.gz APCPRDDHFVHLJZ-UHFFFAOYSA-N 2 1 348.535 1.284 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000173951207 237271603 /nfs/dbraw/zinc/27/16/03/237271603.db2.gz LZBJGNKPGDESMI-INIZCTEOSA-N 2 1 348.495 1.831 20 0 EDADMP C[N@H+]1CC[C@@](O)(CN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959643 306371346 /nfs/dbraw/zinc/37/13/46/306371346.db2.gz GORPDHCVFKWKHQ-AZUAARDMSA-N 2 1 329.488 1.840 20 0 EDADMP C[NH+]1CC[C@@](O)(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959643 306371347 /nfs/dbraw/zinc/37/13/47/306371347.db2.gz GORPDHCVFKWKHQ-AZUAARDMSA-N 2 1 329.488 1.840 20 0 EDADMP C[NH+]1CC[C@@](O)(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959643 306371348 /nfs/dbraw/zinc/37/13/48/306371348.db2.gz GORPDHCVFKWKHQ-AZUAARDMSA-N 2 1 329.488 1.840 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CCN(Cc3cnns3)CC2)C[C@H](C)O1 ZINC000565462220 306384290 /nfs/dbraw/zinc/38/42/90/306384290.db2.gz AWEGWZCQVRGRND-OKILXGFUSA-N 2 1 340.493 1.628 20 0 EDADMP C[C@@H]1C[N@H+](CCOC2CCN(Cc3cnns3)CC2)C[C@H](C)O1 ZINC000565462220 306384291 /nfs/dbraw/zinc/38/42/91/306384291.db2.gz AWEGWZCQVRGRND-OKILXGFUSA-N 2 1 340.493 1.628 20 0 EDADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000072858361 216319887 /nfs/dbraw/zinc/31/98/87/216319887.db2.gz CFRWQUZCSOKMGR-HNNXBMFYSA-N 2 1 329.444 1.946 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000072858361 216319890 /nfs/dbraw/zinc/31/98/90/216319890.db2.gz CFRWQUZCSOKMGR-HNNXBMFYSA-N 2 1 329.444 1.946 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000072858361 216319891 /nfs/dbraw/zinc/31/98/91/216319891.db2.gz CFRWQUZCSOKMGR-HNNXBMFYSA-N 2 1 329.444 1.946 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000072858361 216319893 /nfs/dbraw/zinc/31/98/93/216319893.db2.gz CFRWQUZCSOKMGR-HNNXBMFYSA-N 2 1 329.444 1.946 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000132646145 223350841 /nfs/dbraw/zinc/35/08/41/223350841.db2.gz ZMMILWDHJODAHU-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000132646145 223350843 /nfs/dbraw/zinc/35/08/43/223350843.db2.gz ZMMILWDHJODAHU-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP COc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)cc1 ZINC000414695618 304128520 /nfs/dbraw/zinc/12/85/20/304128520.db2.gz PGGPZAMRASXIKR-DOTOQJQBSA-N 2 1 331.460 1.682 20 0 EDADMP C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414709669 304131230 /nfs/dbraw/zinc/13/12/30/304131230.db2.gz PCVVIYDIVKLKIY-NSHDSACASA-N 2 1 329.366 1.733 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000414719473 304132561 /nfs/dbraw/zinc/13/25/61/304132561.db2.gz VLMQLTUUSFTYTF-UHFFFAOYSA-N 2 1 332.448 1.145 20 0 EDADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1OCC(=O)N1CCCC1 ZINC000414807059 304143001 /nfs/dbraw/zinc/14/30/01/304143001.db2.gz QRFPDXBJAMVENG-INIZCTEOSA-N 2 1 347.459 1.523 20 0 EDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496291735 296127759 /nfs/dbraw/zinc/12/77/59/296127759.db2.gz GYMQFFBPBFREPX-KFWWJZLASA-N 2 1 329.485 1.677 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496629340 296134609 /nfs/dbraw/zinc/13/46/09/296134609.db2.gz CMPRXCWGJDDCMP-RVKKMQEKSA-N 2 1 341.496 1.821 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496629340 296134611 /nfs/dbraw/zinc/13/46/11/296134611.db2.gz CMPRXCWGJDDCMP-RVKKMQEKSA-N 2 1 341.496 1.821 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000414989158 304148209 /nfs/dbraw/zinc/14/82/09/304148209.db2.gz QDGIFMZCLXYVRC-KRWDZBQOSA-N 2 1 346.475 1.677 20 0 EDADMP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)CC(F)(F)C[NH3+])cc1 ZINC000567175656 306440820 /nfs/dbraw/zinc/44/08/20/306440820.db2.gz ZQIGYCWEVBWZFT-HNNXBMFYSA-N 2 1 341.402 1.932 20 0 EDADMP COCCOc1cc2c(cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1)OCO2 ZINC000415127338 304162212 /nfs/dbraw/zinc/16/22/12/304162212.db2.gz MTSYFHCZRJMXKX-DZGCQCFKSA-N 2 1 336.432 1.857 20 0 EDADMP COCCOc1cc2c(cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)OCO2 ZINC000415127338 304162214 /nfs/dbraw/zinc/16/22/14/304162214.db2.gz MTSYFHCZRJMXKX-DZGCQCFKSA-N 2 1 336.432 1.857 20 0 EDADMP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519093 139019192 /nfs/dbraw/zinc/01/91/92/139019192.db2.gz PEBJLIARZRYQRR-HNNXBMFYSA-N 2 1 346.475 1.403 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000236717680 139029485 /nfs/dbraw/zinc/02/94/85/139029485.db2.gz LCBWRPVVFKVUTJ-HOTGVXAUSA-N 2 1 333.480 1.082 20 0 EDADMP C[NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000237126151 139041441 /nfs/dbraw/zinc/04/14/41/139041441.db2.gz QLYVCRQWYFELJJ-HNNXBMFYSA-N 2 1 348.466 1.547 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000120761884 284334040 /nfs/dbraw/zinc/33/40/40/284334040.db2.gz YBKYJWDVXNEUJE-UHFFFAOYSA-N 2 1 328.526 1.599 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000415185495 304172674 /nfs/dbraw/zinc/17/26/74/304172674.db2.gz QADHLHVAFISADC-RHSMWYFYSA-N 2 1 332.448 1.905 20 0 EDADMP C[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000237477010 139052081 /nfs/dbraw/zinc/05/20/81/139052081.db2.gz TVIOOGJYTBLMGE-VQIMIIECSA-N 2 1 330.476 1.313 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000111413550 220152970 /nfs/dbraw/zinc/15/29/70/220152970.db2.gz DJDSUCJOSVBJCP-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000111413550 220152972 /nfs/dbraw/zinc/15/29/72/220152972.db2.gz DJDSUCJOSVBJCP-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000111413550 220152976 /nfs/dbraw/zinc/15/29/76/220152976.db2.gz DJDSUCJOSVBJCP-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCCC[NH2+]3)CC2)oc1C ZINC000237722550 139058760 /nfs/dbraw/zinc/05/87/60/139058760.db2.gz PCWSANRIACATFN-MRXNPFEDSA-N 2 1 334.464 1.762 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000111798927 220193290 /nfs/dbraw/zinc/19/32/90/220193290.db2.gz XUHPQBBJOZKROL-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N2CC[NH+](CCOCC)CC2)CC1 ZINC000111847470 220206754 /nfs/dbraw/zinc/20/67/54/220206754.db2.gz PFFDDPQBEZLEGL-UHFFFAOYSA-N 2 1 340.512 1.472 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)[NH+]1CCCCCC1 ZINC000246107220 139095130 /nfs/dbraw/zinc/09/51/30/139095130.db2.gz DODYFBQFOHYYIH-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP COc1cccc(COC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000246325396 139104222 /nfs/dbraw/zinc/10/42/22/139104222.db2.gz AWIUYUNJLWNMMH-BPQIPLTHSA-N 2 1 336.476 1.987 20 0 EDADMP COc1cccc(COC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000246325396 139104223 /nfs/dbraw/zinc/10/42/23/139104223.db2.gz AWIUYUNJLWNMMH-BPQIPLTHSA-N 2 1 336.476 1.987 20 0 EDADMP COc1cccc(COC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000246325396 139104224 /nfs/dbraw/zinc/10/42/24/139104224.db2.gz AWIUYUNJLWNMMH-BPQIPLTHSA-N 2 1 336.476 1.987 20 0 EDADMP COc1cccc(COC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000246325396 139104225 /nfs/dbraw/zinc/10/42/25/139104225.db2.gz AWIUYUNJLWNMMH-BPQIPLTHSA-N 2 1 336.476 1.987 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000246700929 139117792 /nfs/dbraw/zinc/11/77/92/139117792.db2.gz CULKCTTVDZGBCX-DLBZAZTESA-N 2 1 344.459 1.543 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCCn1ccnc1 ZINC000246858329 139124384 /nfs/dbraw/zinc/12/43/84/139124384.db2.gz DUGOGJGJLUACSL-DOTOQJQBSA-N 2 1 342.447 1.488 20 0 EDADMP C[NH2+]CCNC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000415362224 304204307 /nfs/dbraw/zinc/20/43/07/304204307.db2.gz PLUATUJSPDZGKA-UHFFFAOYSA-N 2 1 346.475 1.725 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248447733 139164332 /nfs/dbraw/zinc/16/43/32/139164332.db2.gz NPEBEMAZSGCSRN-IAGOWNOFSA-N 2 1 343.537 1.797 20 0 EDADMP CCOC1CC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)(N2CCOCC2)C1 ZINC000248887210 139179332 /nfs/dbraw/zinc/17/93/32/139179332.db2.gz MMKYNIWGNKBZOP-STJITEESSA-N 2 1 339.524 1.575 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)C(C)C ZINC000410778320 250375141 /nfs/dbraw/zinc/37/51/41/250375141.db2.gz YHRLFFKDBPSRSZ-UHFFFAOYSA-N 2 1 340.512 1.116 20 0 EDADMP Cc1cc(N2CCC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2=O)n(C)n1 ZINC000252734441 139205272 /nfs/dbraw/zinc/20/52/72/139205272.db2.gz MSSTYGFEXPOJFX-PMPSAXMXSA-N 2 1 331.464 1.440 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2=O)n(C)n1 ZINC000252734441 139205273 /nfs/dbraw/zinc/20/52/73/139205273.db2.gz MSSTYGFEXPOJFX-PMPSAXMXSA-N 2 1 331.464 1.440 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2=O)n(C)n1 ZINC000252734441 139205274 /nfs/dbraw/zinc/20/52/74/139205274.db2.gz MSSTYGFEXPOJFX-PMPSAXMXSA-N 2 1 331.464 1.440 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C2([NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261670801 139215997 /nfs/dbraw/zinc/21/59/97/139215997.db2.gz BUUQEXIKGFMCFQ-DOTOQJQBSA-N 2 1 331.460 1.664 20 0 EDADMP COc1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261723684 139220746 /nfs/dbraw/zinc/22/07/46/139220746.db2.gz RADBFPPXDDTNQY-RDJZCZTQSA-N 2 1 331.460 1.775 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CCOc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000261765936 139224229 /nfs/dbraw/zinc/22/42/29/139224229.db2.gz WIAXYSRVKOQSGB-FUHWJXTLSA-N 2 1 331.460 1.646 20 0 EDADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000261984263 139241837 /nfs/dbraw/zinc/24/18/37/139241837.db2.gz RYOVRQTVXQRMSE-RZFLPCETSA-N 2 1 339.524 1.621 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000262106228 139251317 /nfs/dbraw/zinc/25/13/17/139251317.db2.gz WAEVBLDEIJRXBY-KRWDZBQOSA-N 2 1 341.459 1.896 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000262106228 139251318 /nfs/dbraw/zinc/25/13/18/139251318.db2.gz WAEVBLDEIJRXBY-KRWDZBQOSA-N 2 1 341.459 1.896 20 0 EDADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262160156 139256229 /nfs/dbraw/zinc/25/62/29/139256229.db2.gz SKFCMJFICRYVMR-SFHVURJKSA-N 2 1 325.460 1.865 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000415941287 251036277 /nfs/dbraw/zinc/03/62/77/251036277.db2.gz VVYQKYLEQRMCGE-RHSMWYFYSA-N 2 1 348.447 1.209 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415964437 251040381 /nfs/dbraw/zinc/04/03/81/251040381.db2.gz SQCWIADYORNVFD-OAHLLOKOSA-N 2 1 342.447 1.957 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000416875149 251116129 /nfs/dbraw/zinc/11/61/29/251116129.db2.gz UXGKWCSYRGXHPS-SJORKVTESA-N 2 1 340.512 1.550 20 0 EDADMP O=C(C[C@H]1COCC[NH2+]1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000262317661 139269619 /nfs/dbraw/zinc/26/96/19/139269619.db2.gz DRZPWRKVWUKIAG-HNNXBMFYSA-N 2 1 335.473 1.552 20 0 EDADMP CC(C)([NH3+])CNC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000417022200 251136823 /nfs/dbraw/zinc/13/68/23/251136823.db2.gz OBFKXYXRGSRSHP-UHFFFAOYSA-N 2 1 347.507 1.231 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416999313 251124803 /nfs/dbraw/zinc/12/48/03/251124803.db2.gz BYQODMFEARHSDZ-MSOLQXFVSA-N 2 1 328.460 1.438 20 0 EDADMP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000417087393 251140429 /nfs/dbraw/zinc/14/04/29/251140429.db2.gz ZYNVJAWNGPNNJC-ROUUACIJSA-N 2 1 330.476 1.826 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000417309046 251153961 /nfs/dbraw/zinc/15/39/61/251153961.db2.gz DDFJMPNLMOJKDB-IPELMVKDSA-N 2 1 342.487 1.969 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCO[C@@H](C[NH3+])C2)cc1F ZINC000417270295 251151081 /nfs/dbraw/zinc/15/10/81/251151081.db2.gz NKWOXXQZMXUXCP-AWEZNQCLSA-N 2 1 347.394 1.189 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000417574610 251193371 /nfs/dbraw/zinc/19/33/71/251193371.db2.gz ZNTPNVYBIDQQHH-AEFFLSMTSA-N 2 1 346.475 1.283 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000417670614 251223199 /nfs/dbraw/zinc/22/31/99/251223199.db2.gz OMXLUVSPYBBFMB-BZUAXINKSA-N 2 1 326.485 1.175 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccc(F)cc1 ZINC000417825721 251286130 /nfs/dbraw/zinc/28/61/30/251286130.db2.gz NJVDLUZCEBZRLC-HOTGVXAUSA-N 2 1 334.439 1.508 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC000417827137 251287103 /nfs/dbraw/zinc/28/71/03/251287103.db2.gz PDCOVLSBGAKOFW-HIFRSBDPSA-N 2 1 340.418 1.790 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC000417827137 251287105 /nfs/dbraw/zinc/28/71/05/251287105.db2.gz PDCOVLSBGAKOFW-HIFRSBDPSA-N 2 1 340.418 1.790 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000418110491 251325537 /nfs/dbraw/zinc/32/55/37/251325537.db2.gz FESZAZMDZKPUBA-PMPSAXMXSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000417851424 251297572 /nfs/dbraw/zinc/29/75/72/251297572.db2.gz YPKAPOHGYBPZGL-KANFNMMFSA-N 2 1 342.487 1.900 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H]1CC ZINC000418345185 251362316 /nfs/dbraw/zinc/36/23/16/251362316.db2.gz LFLURJNCDQMBCL-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418689093 251386706 /nfs/dbraw/zinc/38/67/06/251386706.db2.gz UVWCKTYLLRKHEQ-RYQLBKOJSA-N 2 1 330.476 1.725 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000262625313 139291152 /nfs/dbraw/zinc/29/11/52/139291152.db2.gz BHIFWESWGFXJPT-RDJZCZTQSA-N 2 1 344.459 1.465 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000262669016 139294891 /nfs/dbraw/zinc/29/48/91/139294891.db2.gz QSWYEIGAJFACDU-CRAIPNDOSA-N 2 1 332.448 1.592 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000262746635 139300847 /nfs/dbraw/zinc/30/08/47/139300847.db2.gz JNGIDVKBGABEQC-CRAIPNDOSA-N 2 1 330.476 1.162 20 0 EDADMP CC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)[C@H]1CCCC[NH2+]1 ZINC000422906898 252017823 /nfs/dbraw/zinc/01/78/23/252017823.db2.gz VZIOYFOGGGTMLE-BBWFWOEESA-N 2 1 327.538 1.705 20 0 EDADMP [NH3+]CCCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000423319870 252045295 /nfs/dbraw/zinc/04/52/95/252045295.db2.gz FVVLDCHGKOWUDH-INIZCTEOSA-N 2 1 342.447 1.021 20 0 EDADMP COCC[C@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000423773564 252069443 /nfs/dbraw/zinc/06/94/43/252069443.db2.gz JPNQHOYYKCOEEP-YVWKXTFCSA-N 2 1 345.487 1.639 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424020539 252115753 /nfs/dbraw/zinc/11/57/53/252115753.db2.gz PIXBMJZBWUQICQ-OAHLLOKOSA-N 2 1 330.476 1.237 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)C[C@H]1c1ccccc1F ZINC000424024904 252117742 /nfs/dbraw/zinc/11/77/42/252117742.db2.gz IAEIMTZGQWMHOB-SGMGOOAPSA-N 2 1 327.350 1.324 20 0 EDADMP COCC[NH+]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424142108 252141143 /nfs/dbraw/zinc/14/11/43/252141143.db2.gz UXXZYDYLMMCQKT-KRWDZBQOSA-N 2 1 325.497 1.855 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424220387 252167735 /nfs/dbraw/zinc/16/77/35/252167735.db2.gz DRGHUEDXNLHXBK-INIZCTEOSA-N 2 1 331.464 1.524 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424130329 252133285 /nfs/dbraw/zinc/13/32/85/252133285.db2.gz DZPTVBDJDQQAHM-LSDHHAIUSA-N 2 1 334.468 1.197 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424366475 252201527 /nfs/dbraw/zinc/20/15/27/252201527.db2.gz IZOVGHZCNHLVDC-HUUCEWRRSA-N 2 1 335.448 1.570 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1Cc1cnc(N3CCOCC3)s1)CC[NH2+]CC2 ZINC000424389125 252206929 /nfs/dbraw/zinc/20/69/29/252206929.db2.gz ZYXLOIIOUTZVLB-CQSZACIVSA-N 2 1 336.505 1.944 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)C[C@H](C)n3cccn3)CC2)CC1 ZINC000424895155 252282309 /nfs/dbraw/zinc/28/23/09/252282309.db2.gz RNBUGXDENWZZHN-KRWDZBQOSA-N 2 1 347.507 1.853 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)C[C@H](C)n3cccn3)CC2)CC1 ZINC000424895155 252282311 /nfs/dbraw/zinc/28/23/11/252282311.db2.gz RNBUGXDENWZZHN-KRWDZBQOSA-N 2 1 347.507 1.853 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000111798943 285023868 /nfs/dbraw/zinc/02/38/68/285023868.db2.gz FEYWWFUQIDSAKE-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000263270719 139332305 /nfs/dbraw/zinc/33/23/05/139332305.db2.gz SEEIWXNLNMNRSA-FZMZJTMJSA-N 2 1 340.349 1.765 20 0 EDADMP COCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443060882 285119221 /nfs/dbraw/zinc/11/92/21/285119221.db2.gz PXZKUBRKEDTPOV-INIZCTEOSA-N 2 1 349.475 1.389 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000112437313 220328504 /nfs/dbraw/zinc/32/85/04/220328504.db2.gz ARYXHHJNRHDGBQ-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000112437313 220328506 /nfs/dbraw/zinc/32/85/06/220328506.db2.gz ARYXHHJNRHDGBQ-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000112437313 220328508 /nfs/dbraw/zinc/32/85/08/220328508.db2.gz ARYXHHJNRHDGBQ-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471646489 255015484 /nfs/dbraw/zinc/01/54/84/255015484.db2.gz VOBAZWDZSLQJGI-MRXNPFEDSA-N 2 1 342.528 1.764 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)COC ZINC000341165460 285244349 /nfs/dbraw/zinc/24/43/49/285244349.db2.gz NHDCLZASKYFMFK-JKSUJKDBSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000487281326 255028576 /nfs/dbraw/zinc/02/85/76/255028576.db2.gz SEMHBBHPRGSOEY-MXSMSXNCSA-N 2 1 347.507 1.459 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000487281326 255028577 /nfs/dbraw/zinc/02/85/77/255028577.db2.gz SEMHBBHPRGSOEY-MXSMSXNCSA-N 2 1 347.507 1.459 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCOCC1 ZINC000174151791 285243610 /nfs/dbraw/zinc/24/36/10/285243610.db2.gz WGLDPCXHRIYECP-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@@H]2C)CC1 ZINC000488798259 255054891 /nfs/dbraw/zinc/05/48/91/255054891.db2.gz JNHSQFAFOALEDE-PKOBYXMFSA-N 2 1 345.487 1.342 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@@H]2C)CC1 ZINC000488798259 255054893 /nfs/dbraw/zinc/05/48/93/255054893.db2.gz JNHSQFAFOALEDE-PKOBYXMFSA-N 2 1 345.487 1.342 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](OC)C1 ZINC000249015600 285245266 /nfs/dbraw/zinc/24/52/66/285245266.db2.gz JHFLVELHHJSODI-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)/C=C\C[NH+](C)C)cc2)CC1 ZINC000493290303 255202024 /nfs/dbraw/zinc/20/20/24/255202024.db2.gz PNKYJFWMZCDRON-PLNGDYQASA-N 2 1 346.475 1.369 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496457575 255393659 /nfs/dbraw/zinc/39/36/59/255393659.db2.gz UCRJQRPARCATKW-HNNXBMFYSA-N 2 1 340.468 1.741 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496457575 255393660 /nfs/dbraw/zinc/39/36/60/255393660.db2.gz UCRJQRPARCATKW-HNNXBMFYSA-N 2 1 340.468 1.741 20 0 EDADMP C[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[NH+]1CCSCC1 ZINC000153354493 533259070 /nfs/dbraw/zinc/25/90/70/533259070.db2.gz VISWTUCZHSEDHR-AWEZNQCLSA-N 2 1 339.480 1.811 20 0 EDADMP C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[NH+]1CCSCC1 ZINC000153354493 533259076 /nfs/dbraw/zinc/25/90/76/533259076.db2.gz VISWTUCZHSEDHR-AWEZNQCLSA-N 2 1 339.480 1.811 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]31)C2 ZINC000571336705 306563238 /nfs/dbraw/zinc/56/32/38/306563238.db2.gz OKIFGLQTCBEMIS-CIRFHOKZSA-N 2 1 346.475 1.464 20 0 EDADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H](C)C[NH+]2CCOCC2)o1 ZINC000270952966 140206555 /nfs/dbraw/zinc/20/65/55/140206555.db2.gz PAZFCOPKFCGXFY-OAHLLOKOSA-N 2 1 337.464 1.447 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331475831 141035564 /nfs/dbraw/zinc/03/55/64/141035564.db2.gz IUBYKNZCANHEEO-SUMWQHHRSA-N 2 1 337.489 1.509 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(c2)nnn3C)CC1 ZINC000332586372 141208947 /nfs/dbraw/zinc/20/89/47/141208947.db2.gz KEEMUZLDBZEIQN-AWEZNQCLSA-N 2 1 331.464 1.493 20 0 EDADMP C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC000332926082 141245244 /nfs/dbraw/zinc/24/52/44/141245244.db2.gz CWIGFLVQRXZFBG-WBVHZDCISA-N 2 1 345.491 1.819 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000333466036 141321607 /nfs/dbraw/zinc/32/16/07/141321607.db2.gz ZYBYKALJMJYYSP-KLHDSHLOSA-N 2 1 340.512 1.562 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000333708367 141362733 /nfs/dbraw/zinc/36/27/33/141362733.db2.gz RWUMVJOGAUWYFJ-TWMKSMIVSA-N 2 1 338.496 1.256 20 0 EDADMP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000333712253 141363284 /nfs/dbraw/zinc/36/32/84/141363284.db2.gz SMSRFYVRPJQAHF-RDJZCZTQSA-N 2 1 343.537 1.703 20 0 EDADMP C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[N@@H+](C2CCC2)C1 ZINC000344712693 143001679 /nfs/dbraw/zinc/00/16/79/143001679.db2.gz BMGHWMYYWFWDGM-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[N@H+](C2CCC2)C1 ZINC000344712693 143001680 /nfs/dbraw/zinc/00/16/80/143001680.db2.gz BMGHWMYYWFWDGM-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC000345916413 143146731 /nfs/dbraw/zinc/14/67/31/143146731.db2.gz IYYYPQOBDRTOCN-IAGOWNOFSA-N 2 1 337.508 1.963 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000346387027 143199615 /nfs/dbraw/zinc/19/96/15/143199615.db2.gz ZFIKUKHMTZVQDS-ZACQAIPSSA-N 2 1 341.496 1.101 20 0 EDADMP C[C@@H]1C[C@H](NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000346695515 143232893 /nfs/dbraw/zinc/23/28/93/143232893.db2.gz CTIRJWRSGPAIDO-KPFFTGBYSA-N 2 1 329.488 1.838 20 0 EDADMP C[C@@H]1C[C@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000346695515 143232894 /nfs/dbraw/zinc/23/28/94/143232894.db2.gz CTIRJWRSGPAIDO-KPFFTGBYSA-N 2 1 329.488 1.838 20 0 EDADMP C[C@@H]1C[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000346695515 143232895 /nfs/dbraw/zinc/23/28/95/143232895.db2.gz CTIRJWRSGPAIDO-KPFFTGBYSA-N 2 1 329.488 1.838 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000346742858 143240527 /nfs/dbraw/zinc/24/05/27/143240527.db2.gz VJMBMMYOUZQRNP-RHSMWYFYSA-N 2 1 330.436 1.267 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1)N1CC[NH2+]CC1 ZINC000347010108 143270893 /nfs/dbraw/zinc/27/08/93/143270893.db2.gz FXGVDFCHHQQOBD-GOSISDBHSA-N 2 1 338.455 1.879 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000347100715 143282806 /nfs/dbraw/zinc/28/28/06/143282806.db2.gz LXNMRRCVBSJKIJ-OAHLLOKOSA-N 2 1 335.423 1.478 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000347402500 143317164 /nfs/dbraw/zinc/31/71/64/143317164.db2.gz GSTWXBMGOCHTAA-HNNXBMFYSA-N 2 1 327.513 1.970 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc3c(c2)C[NH2+]C3)C[C@@H](C)O1 ZINC000347520575 143331482 /nfs/dbraw/zinc/33/14/82/143331482.db2.gz OKDXUOXLFFTZDB-ZIAGYGMSSA-N 2 1 331.460 1.907 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000347651069 143345591 /nfs/dbraw/zinc/34/55/91/143345591.db2.gz PEKFAVSJHFCUPS-UHFFFAOYSA-N 2 1 338.521 1.749 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)[NH+](C)C1 ZINC000348027829 143393168 /nfs/dbraw/zinc/39/31/68/143393168.db2.gz JYPUEHWHMBYMMP-BZUAXINKSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)[N@H+](C)C1 ZINC000348027829 143393169 /nfs/dbraw/zinc/39/31/69/143393169.db2.gz JYPUEHWHMBYMMP-BZUAXINKSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)[N@@H+](C)C1 ZINC000348027829 143393170 /nfs/dbraw/zinc/39/31/70/143393170.db2.gz JYPUEHWHMBYMMP-BZUAXINKSA-N 2 1 340.512 1.467 20 0 EDADMP CCOC[C@H](O)C[NH2+]CC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000572595150 306594082 /nfs/dbraw/zinc/59/40/82/306594082.db2.gz VYTLYFCMIJHJBZ-MRXNPFEDSA-N 2 1 341.521 1.905 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000369765850 155166516 /nfs/dbraw/zinc/16/65/16/155166516.db2.gz IMTIFHANAPICBG-MUIFIZLQSA-N 2 1 331.460 1.945 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000369765850 155166520 /nfs/dbraw/zinc/16/65/20/155166520.db2.gz IMTIFHANAPICBG-MUIFIZLQSA-N 2 1 331.460 1.945 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C)CC2)[C@@H](C)C1 ZINC000360979323 286058102 /nfs/dbraw/zinc/05/81/02/286058102.db2.gz SUKBVBZASORSNF-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](C)CC2)[C@@H](C)C1 ZINC000360979323 286058103 /nfs/dbraw/zinc/05/81/03/286058103.db2.gz SUKBVBZASORSNF-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](C)CC2)[C@@H](C)C1 ZINC000360979323 286058104 /nfs/dbraw/zinc/05/81/04/286058104.db2.gz SUKBVBZASORSNF-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)CCC[NH3+])[C@@H](C)C1 ZINC000417669603 286061093 /nfs/dbraw/zinc/06/10/93/286061093.db2.gz MCFIIAXDRALAMV-XHSDSOJGSA-N 2 1 328.501 1.550 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCCOCC2)[NH+](C)C)cc1 ZINC000187046617 292199357 /nfs/dbraw/zinc/19/93/57/292199357.db2.gz ZZHHXPACZOIZQQ-GOSISDBHSA-N 2 1 348.491 1.619 20 0 EDADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352692615 149118353 /nfs/dbraw/zinc/11/83/53/149118353.db2.gz GZODGHSBBVZOJD-GOSISDBHSA-N 2 1 325.460 1.865 20 0 EDADMP CO[C@@H](C)c1noc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)n1 ZINC000369908072 155225723 /nfs/dbraw/zinc/22/57/23/155225723.db2.gz JDGSOZAEOOZCII-KGLIPLIRSA-N 2 1 337.468 1.377 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CC[C@H](C[NH2+]C)C1)[NH+]1CCOCC1 ZINC000416967171 304356710 /nfs/dbraw/zinc/35/67/10/304356710.db2.gz ZERJYOVBSCHFBW-NVXWUHKLSA-N 2 1 340.512 1.374 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@H+](C)CC2=CCCOC2)cc[nH+]1 ZINC000354922168 150034162 /nfs/dbraw/zinc/03/41/62/150034162.db2.gz LPOSPZXITOSFAJ-JKSUJKDBSA-N 2 1 349.454 1.738 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@@H+](C)CC2=CCCOC2)cc[nH+]1 ZINC000354922168 150034165 /nfs/dbraw/zinc/03/41/65/150034165.db2.gz LPOSPZXITOSFAJ-JKSUJKDBSA-N 2 1 349.454 1.738 20 0 EDADMP C[C@H]1[C@H](NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CCC[NH+]1C ZINC000355083153 150108068 /nfs/dbraw/zinc/10/80/68/150108068.db2.gz NCFTYHYHFXCCFU-MAUKXSAKSA-N 2 1 330.476 1.995 20 0 EDADMP Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355251707 150185133 /nfs/dbraw/zinc/18/51/33/150185133.db2.gz HRIZOASDIDBTQP-GOSISDBHSA-N 2 1 330.476 1.905 20 0 EDADMP Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355251707 150185137 /nfs/dbraw/zinc/18/51/37/150185137.db2.gz HRIZOASDIDBTQP-GOSISDBHSA-N 2 1 330.476 1.905 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H](c3ccccc3)N(C)C)[C@H]2C1 ZINC000355378101 150241311 /nfs/dbraw/zinc/24/13/11/150241311.db2.gz ZVFZMKWMEBYIQW-BZSNNMDCSA-N 2 1 331.460 1.611 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)[C@H]2C1 ZINC000355378101 150241316 /nfs/dbraw/zinc/24/13/16/150241316.db2.gz ZVFZMKWMEBYIQW-BZSNNMDCSA-N 2 1 331.460 1.611 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCCO1 ZINC000417030938 304362789 /nfs/dbraw/zinc/36/27/89/304362789.db2.gz PWRIMKXWUTUFPQ-SFHVURJKSA-N 2 1 346.475 1.194 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417042331 304365016 /nfs/dbraw/zinc/36/50/16/304365016.db2.gz NRYASKMJZVBZEO-JKSUJKDBSA-N 2 1 333.480 1.104 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000417040979 304365287 /nfs/dbraw/zinc/36/52/87/304365287.db2.gz VYFSFVPYISEYEM-BFYDXBDKSA-N 2 1 328.476 1.697 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417046843 304366302 /nfs/dbraw/zinc/36/63/02/304366302.db2.gz TUXODMJYNPSUJH-HOTGVXAUSA-N 2 1 333.480 1.234 20 0 EDADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000357553899 151065965 /nfs/dbraw/zinc/06/59/65/151065965.db2.gz PTJZFZSTWGCAOE-ZACQAIPSSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000357553899 151065966 /nfs/dbraw/zinc/06/59/66/151065966.db2.gz PTJZFZSTWGCAOE-ZACQAIPSSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000357553899 151065967 /nfs/dbraw/zinc/06/59/67/151065967.db2.gz PTJZFZSTWGCAOE-ZACQAIPSSA-N 2 1 325.497 1.722 20 0 EDADMP CSC1(CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC[NH+](C)CC1 ZINC000357610249 151083787 /nfs/dbraw/zinc/08/37/87/151083787.db2.gz SMFOAZNLUUJOGP-OAHLLOKOSA-N 2 1 342.553 1.845 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000357960639 151211711 /nfs/dbraw/zinc/21/17/11/151211711.db2.gz QOASTKJTFYAPNC-JKSUJKDBSA-N 2 1 327.517 1.042 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000357960639 151211717 /nfs/dbraw/zinc/21/17/17/151211717.db2.gz QOASTKJTFYAPNC-JKSUJKDBSA-N 2 1 327.517 1.042 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000357960639 151211720 /nfs/dbraw/zinc/21/17/20/151211720.db2.gz QOASTKJTFYAPNC-JKSUJKDBSA-N 2 1 327.517 1.042 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000358095131 151267996 /nfs/dbraw/zinc/26/79/96/151267996.db2.gz LYCJUMUSNXARIF-MRXNPFEDSA-N 2 1 340.512 1.637 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CN(C3CC3)CCO2)[C@@H](C)C1 ZINC000358153376 151289757 /nfs/dbraw/zinc/28/97/57/151289757.db2.gz IIDAQUANBRFQPQ-WDSOQIARSA-N 2 1 339.524 1.576 20 0 EDADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2csc(C[NH3+])n2)cc1 ZINC000360617700 152124698 /nfs/dbraw/zinc/12/46/98/152124698.db2.gz ICXYMSWDFAOFTR-KBPBESRZSA-N 2 1 346.456 1.486 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360659577 152142288 /nfs/dbraw/zinc/14/22/88/152142288.db2.gz YXGJLKIKFIJAFP-GOEBONIOSA-N 2 1 328.526 1.597 20 0 EDADMP CC[N@H+]1CCCN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC1 ZINC000360695234 152156854 /nfs/dbraw/zinc/15/68/54/152156854.db2.gz OGAQPPBYKVMBEQ-UHFFFAOYSA-N 2 1 328.526 1.551 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360742719 152180960 /nfs/dbraw/zinc/18/09/60/152180960.db2.gz AIXOKIGNPYLCBL-HOCLYGCPSA-N 2 1 328.526 1.549 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)C[C@H]1C ZINC000360796426 152208788 /nfs/dbraw/zinc/20/87/88/152208788.db2.gz GKMXSDOUTLHIQX-ARFHVFGLSA-N 2 1 328.501 1.203 20 0 EDADMP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000362796843 152816567 /nfs/dbraw/zinc/81/65/67/152816567.db2.gz KTSDGVAMGAHWHQ-RDOIFFKNSA-N 2 1 333.520 1.807 20 0 EDADMP Cc1nnc(CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)n1C1CC1 ZINC000363711583 153036120 /nfs/dbraw/zinc/03/61/20/153036120.db2.gz ZEJCFWBCRJDOOP-IAOVAPTHSA-N 2 1 333.480 1.900 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCC[C@H](CO)C1)c1ccccc1 ZINC000363827198 153068341 /nfs/dbraw/zinc/06/83/41/153068341.db2.gz RUMSVCFQOOQBPX-WMZOPIPTSA-N 2 1 333.476 1.500 20 0 EDADMP C[C@@H]1CCC[C@@](CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)([NH+](C)C)C1 ZINC000417210395 304384676 /nfs/dbraw/zinc/38/46/76/304384676.db2.gz DMFSGCRTNYRBGV-HYVNUMGLSA-N 2 1 328.476 1.840 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC([NH3+])CC3)c2)CCO1 ZINC000417264612 304388675 /nfs/dbraw/zinc/38/86/75/304388675.db2.gz AECNIQRKDKAMOQ-HNNXBMFYSA-N 2 1 346.475 1.540 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC([NH3+])CC3)c2)CCO1 ZINC000417264612 304388677 /nfs/dbraw/zinc/38/86/77/304388677.db2.gz AECNIQRKDKAMOQ-HNNXBMFYSA-N 2 1 346.475 1.540 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000367186882 154032949 /nfs/dbraw/zinc/03/29/49/154032949.db2.gz QNTPQJYYLGGDRP-UHFFFAOYSA-N 2 1 335.496 1.504 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000367186882 154032950 /nfs/dbraw/zinc/03/29/50/154032950.db2.gz QNTPQJYYLGGDRP-UHFFFAOYSA-N 2 1 335.496 1.504 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000367906710 154320245 /nfs/dbraw/zinc/32/02/45/154320245.db2.gz YXPGABKXORLUSG-BVBHFADKSA-N 2 1 333.476 1.637 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247335441 292335729 /nfs/dbraw/zinc/33/57/29/292335729.db2.gz XELRZGVYWBGALT-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247335441 292335730 /nfs/dbraw/zinc/33/57/30/292335730.db2.gz XELRZGVYWBGALT-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247335441 292335731 /nfs/dbraw/zinc/33/57/31/292335731.db2.gz XELRZGVYWBGALT-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000371839233 156132006 /nfs/dbraw/zinc/13/20/06/156132006.db2.gz REFPUUWWHSXNCA-ZACQAIPSSA-N 2 1 338.496 1.271 20 0 EDADMP Cc1nc(CNC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c2n1CCCC2 ZINC000371982645 156195180 /nfs/dbraw/zinc/19/51/80/156195180.db2.gz CBPJPWWDTNKAQG-KGLIPLIRSA-N 2 1 349.479 1.124 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000372225484 156277172 /nfs/dbraw/zinc/27/71/72/156277172.db2.gz JZCLETGONTUNKF-DAWZGUTISA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000372225484 156277176 /nfs/dbraw/zinc/27/71/76/156277176.db2.gz JZCLETGONTUNKF-DAWZGUTISA-N 2 1 337.508 1.866 20 0 EDADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000372314142 156327042 /nfs/dbraw/zinc/32/70/42/156327042.db2.gz YVQSXBHTLWPRFZ-SJORKVTESA-N 2 1 346.475 1.313 20 0 EDADMP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000374044614 157119991 /nfs/dbraw/zinc/11/99/91/157119991.db2.gz TUKCLDGVOZDMPV-ZWKOTPCHSA-N 2 1 349.519 1.964 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCc2ccccc2)O1 ZINC000374602527 157342122 /nfs/dbraw/zinc/34/21/22/157342122.db2.gz KGNVFKRJIYSPLY-KURKYZTESA-N 2 1 331.460 1.316 20 0 EDADMP CN1CC[C@@H]([N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1=O ZINC000378004430 158053399 /nfs/dbraw/zinc/05/33/99/158053399.db2.gz NEIPQXNVSBZAHK-GOSISDBHSA-N 2 1 336.524 1.345 20 0 EDADMP COCC[C@]1(C(=O)NCc2cccnc2-n2cc[nH+]c2C)CC[NH2+]C1 ZINC000378212954 158112473 /nfs/dbraw/zinc/11/24/73/158112473.db2.gz XSJKNMYRLDKVKY-GOSISDBHSA-N 2 1 343.431 1.208 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000366566218 162394753 /nfs/dbraw/zinc/39/47/53/162394753.db2.gz KOYQEVQDBSRNLM-SFHVURJKSA-N 2 1 342.487 1.063 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417700483 287011691 /nfs/dbraw/zinc/01/16/91/287011691.db2.gz LKFQECLQAQJIPF-WBVHZDCISA-N 2 1 326.485 1.319 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000072827350 287257367 /nfs/dbraw/zinc/25/73/67/287257367.db2.gz VYXJHHYXLNTDLG-KRWDZBQOSA-N 2 1 325.497 1.580 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000073426078 287259749 /nfs/dbraw/zinc/25/97/49/287259749.db2.gz ZXDBPIUQAOECIL-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000073426078 287259752 /nfs/dbraw/zinc/25/97/52/287259752.db2.gz ZXDBPIUQAOECIL-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062717 287318758 /nfs/dbraw/zinc/31/87/58/287318758.db2.gz VERSTQKNXDKSER-IXDOHACOSA-N 2 1 325.497 1.759 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659435077 452282463 /nfs/dbraw/zinc/28/24/63/452282463.db2.gz FEHKBYXWANGFGH-MRXNPFEDSA-N 2 1 327.517 1.077 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418336880 304482493 /nfs/dbraw/zinc/48/24/93/304482493.db2.gz AVYAWTUXLKVMKH-MRXNPFEDSA-N 2 1 340.512 1.376 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](CCO)C1 ZINC000665758292 452325969 /nfs/dbraw/zinc/32/59/69/452325969.db2.gz DUQZMXHWDIOPJY-JKSUJKDBSA-N 2 1 328.501 1.062 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](CCO)C1 ZINC000665758292 452325983 /nfs/dbraw/zinc/32/59/83/452325983.db2.gz DUQZMXHWDIOPJY-JKSUJKDBSA-N 2 1 328.501 1.062 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000237156740 273008287 /nfs/dbraw/zinc/00/82/87/273008287.db2.gz BDZJOFBAKLJTMS-ZWKOTPCHSA-N 2 1 338.540 1.674 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)ccn1 ZINC000275765604 273126557 /nfs/dbraw/zinc/12/65/57/273126557.db2.gz BIIIKYRKZUYABU-CQSZACIVSA-N 2 1 343.431 1.211 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[NH2+]Cc2cccc(O)c2)cc[nH+]1 ZINC000354929865 273825986 /nfs/dbraw/zinc/82/59/86/273825986.db2.gz WJDMRKICOZJKAX-CABCVRRESA-N 2 1 345.422 1.955 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000349660468 274032961 /nfs/dbraw/zinc/03/29/61/274032961.db2.gz BZBLLKIPJVKATB-ROUUACIJSA-N 2 1 348.491 1.179 20 0 EDADMP CC[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000156302280 276189126 /nfs/dbraw/zinc/18/91/26/276189126.db2.gz QWNRIEHCYNTMIY-SJORKVTESA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[C@@H]([NH+]4CCCCC4)C3)cn2)CC1 ZINC000353416164 277114476 /nfs/dbraw/zinc/11/44/76/277114476.db2.gz LHOSWJHORVUODF-GOSISDBHSA-N 2 1 344.507 1.289 20 0 EDADMP COCC1(C(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)CC[NH2+]CC1 ZINC000373550742 277197891 /nfs/dbraw/zinc/19/78/91/277197891.db2.gz IABAKZYLYMAPKC-MRXNPFEDSA-N 2 1 337.508 1.916 20 0 EDADMP CC(C)(CNC(=O)NC[C@@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000417090451 277301020 /nfs/dbraw/zinc/30/10/20/277301020.db2.gz WLDGCIBCYNETNK-OAHLLOKOSA-N 2 1 330.476 1.732 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCSCC2)C1 ZINC000344496246 277396405 /nfs/dbraw/zinc/39/64/05/277396405.db2.gz QMYUMRGBFBKKMP-HZPDHXFCSA-N 2 1 327.538 1.908 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCSCC2)C1 ZINC000344496246 277396407 /nfs/dbraw/zinc/39/64/07/277396407.db2.gz QMYUMRGBFBKKMP-HZPDHXFCSA-N 2 1 327.538 1.908 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372499244 278080955 /nfs/dbraw/zinc/08/09/55/278080955.db2.gz ZZGVNSQOTOJSQX-UHFFFAOYSA-N 2 1 336.480 1.702 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000372499244 278080958 /nfs/dbraw/zinc/08/09/58/278080958.db2.gz ZZGVNSQOTOJSQX-UHFFFAOYSA-N 2 1 336.480 1.702 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000355452935 278177270 /nfs/dbraw/zinc/17/72/70/278177270.db2.gz TUZQUHRDPKZNNJ-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@@H+](C)Cc1ccccc1 ZINC000417596321 278201424 /nfs/dbraw/zinc/20/14/24/278201424.db2.gz ZUBWYRUHLRUEBD-APWZRJJASA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351281 278212768 /nfs/dbraw/zinc/21/27/68/278212768.db2.gz WKUQEOYZMJQNLH-FPSMNIFISA-N 2 1 336.524 1.295 20 0 EDADMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)nc1 ZINC000286631912 288050696 /nfs/dbraw/zinc/05/06/96/288050696.db2.gz ZJRZSVBIQWGSJN-CQSZACIVSA-N 2 1 335.448 1.393 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000348379657 279120996 /nfs/dbraw/zinc/12/09/96/279120996.db2.gz KXBWRLRYYJMAAA-JYJNAYRXSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247441657 279759743 /nfs/dbraw/zinc/75/97/43/279759743.db2.gz XBDPFBZYECGEOI-AIANPOQGSA-N 2 1 325.497 1.706 20 0 EDADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCCn2cc[nH+]c2C)cc1 ZINC000287183644 288175397 /nfs/dbraw/zinc/17/53/97/288175397.db2.gz CUGGQWBWCKKDSC-KRWDZBQOSA-N 2 1 345.447 1.802 20 0 EDADMP CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367552959 280010813 /nfs/dbraw/zinc/01/08/13/280010813.db2.gz OSCMFSDPLUOSRI-BZUAXINKSA-N 2 1 329.510 1.263 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000287246436 288191041 /nfs/dbraw/zinc/19/10/41/288191041.db2.gz XBWYVQRRYXMONS-UHFFFAOYSA-N 2 1 333.436 1.948 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000287246436 288191044 /nfs/dbraw/zinc/19/10/44/288191044.db2.gz XBWYVQRRYXMONS-UHFFFAOYSA-N 2 1 333.436 1.948 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337725069 280131872 /nfs/dbraw/zinc/13/18/72/280131872.db2.gz SMUXVBQMQSRIFN-IEBWSBKVSA-N 2 1 349.519 1.964 20 0 EDADMP CC[C@@H](CNC(=O)N(C)C1CC([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417019255 280141628 /nfs/dbraw/zinc/14/16/28/280141628.db2.gz QVDJOEHABHUOTM-ADKAHSJRSA-N 2 1 330.476 1.954 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000287312672 288207490 /nfs/dbraw/zinc/20/74/90/288207490.db2.gz GXAKLFDUPZGNCM-WMZOPIPTSA-N 2 1 332.492 1.800 20 0 EDADMP Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000370762864 280216749 /nfs/dbraw/zinc/21/67/49/280216749.db2.gz CEMZIRXZWYOSDN-CQSZACIVSA-N 2 1 346.479 1.258 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000287411537 288231916 /nfs/dbraw/zinc/23/19/16/288231916.db2.gz XIWPDTQTQUAKKJ-SOLBZPMBSA-N 2 1 348.491 1.386 20 0 EDADMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCC[NH+]1CCSCC1 ZINC000343989695 288296389 /nfs/dbraw/zinc/29/63/89/288296389.db2.gz JTMACMZQMZBWPN-CABCVRRESA-N 2 1 326.510 1.303 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCC[NH+]1CCSCC1 ZINC000343989695 288296393 /nfs/dbraw/zinc/29/63/93/288296393.db2.gz JTMACMZQMZBWPN-CABCVRRESA-N 2 1 326.510 1.303 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351564594 288314769 /nfs/dbraw/zinc/31/47/69/288314769.db2.gz SVPLBUKYORFVKB-ZBFHGGJFSA-N 2 1 337.489 1.605 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000287779773 288321883 /nfs/dbraw/zinc/32/18/83/288321883.db2.gz AIBNWVANGNIHRE-RYQLBKOJSA-N 2 1 330.476 1.710 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccc2c(c1)oc(=O)n2C)CC[NH+](C)C ZINC000353540119 289133037 /nfs/dbraw/zinc/13/30/37/289133037.db2.gz BOPUWAFDGFDPGJ-UHFFFAOYSA-N 2 1 334.464 1.447 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000262469780 289267249 /nfs/dbraw/zinc/26/72/49/289267249.db2.gz JDMUEKMVQLWWNH-OAHLLOKOSA-N 2 1 325.478 1.640 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000262469780 289267251 /nfs/dbraw/zinc/26/72/51/289267251.db2.gz JDMUEKMVQLWWNH-OAHLLOKOSA-N 2 1 325.478 1.640 20 0 EDADMP C[NH2+][C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)c1cccc(Cl)c1Cl ZINC000662554771 453284105 /nfs/dbraw/zinc/28/41/05/453284105.db2.gz RKYCULPOEMOSGK-NOZJJQNGSA-N 2 1 332.231 1.440 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C2 ZINC000377900549 302707329 /nfs/dbraw/zinc/70/73/29/302707329.db2.gz DIUDTZYIXRQWJX-NVXWUHKLSA-N 2 1 334.464 1.323 20 0 EDADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000294266419 303084948 /nfs/dbraw/zinc/08/49/48/303084948.db2.gz QUGARGGKDJRBGY-OAHLLOKOSA-N 2 1 345.451 1.646 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@H](C)CO)CC1 ZINC000295872153 303278188 /nfs/dbraw/zinc/27/81/88/303278188.db2.gz ZCYUQMFHUWBNRW-SJORKVTESA-N 2 1 333.476 1.246 20 0 EDADMP Cc1cc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC000296711298 303332524 /nfs/dbraw/zinc/33/25/24/303332524.db2.gz AZJQFQKQJJZQMC-HNNXBMFYSA-N 2 1 331.420 1.611 20 0 EDADMP O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000297125328 303362447 /nfs/dbraw/zinc/36/24/47/303362447.db2.gz HGIGKJJGXJIMCG-KRWDZBQOSA-N 2 1 328.416 1.594 20 0 EDADMP C[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)C[NH+]1CCOCC1 ZINC000297328306 303386134 /nfs/dbraw/zinc/38/61/34/303386134.db2.gz RTNUCSJUELAFAS-AWEZNQCLSA-N 2 1 331.420 1.102 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCc3cncs3)CC2)CC1 ZINC000411364361 303894448 /nfs/dbraw/zinc/89/44/48/303894448.db2.gz AKHMNWUIAMZZHS-UHFFFAOYSA-N 2 1 336.505 1.562 20 0 EDADMP NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420920813 304783965 /nfs/dbraw/zinc/78/39/65/304783965.db2.gz KEVMWLAAPVTWDI-QZTJIDSGSA-N 2 1 331.460 1.653 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000414884133 447343753 /nfs/dbraw/zinc/34/37/53/447343753.db2.gz URPISEXCJBWYFX-INIZCTEOSA-N 2 1 346.475 1.725 20 0 EDADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422702745 304878825 /nfs/dbraw/zinc/87/88/25/304878825.db2.gz LKRJVQMFFVYMNZ-KCQAQPDRSA-N 2 1 325.478 1.586 20 0 EDADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000423277979 304890900 /nfs/dbraw/zinc/89/09/00/304890900.db2.gz QEJSXCXOPYXSJO-BBRMVZONSA-N 2 1 325.478 1.860 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000430154760 305046527 /nfs/dbraw/zinc/04/65/27/305046527.db2.gz IRPFSTRMKCUTJW-CRAIPNDOSA-N 2 1 329.448 1.463 20 0 EDADMP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000430544745 305055961 /nfs/dbraw/zinc/05/59/61/305055961.db2.gz GQIABCSLSMMDDW-AWEZNQCLSA-N 2 1 344.459 1.682 20 0 EDADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430597510 305057820 /nfs/dbraw/zinc/05/78/20/305057820.db2.gz AQURKNUNJWYEOW-KRWDZBQOSA-N 2 1 344.459 1.289 20 0 EDADMP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000430627723 305059994 /nfs/dbraw/zinc/05/99/94/305059994.db2.gz NDOHIUWVIPMNQP-GOSISDBHSA-N 2 1 345.487 1.865 20 0 EDADMP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000430627723 305059995 /nfs/dbraw/zinc/05/99/95/305059995.db2.gz NDOHIUWVIPMNQP-GOSISDBHSA-N 2 1 345.487 1.865 20 0 EDADMP Cc1ccc2nc(C[N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cn2c1 ZINC000430629298 305060255 /nfs/dbraw/zinc/06/02/55/305060255.db2.gz PUDXDLVENZYZQK-MRXNPFEDSA-N 2 1 341.459 1.287 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430932725 305068923 /nfs/dbraw/zinc/06/89/23/305068923.db2.gz ZVXHKMPOTBBWSJ-YCPHGPKFSA-N 2 1 349.475 1.720 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430932725 305068924 /nfs/dbraw/zinc/06/89/24/305068924.db2.gz ZVXHKMPOTBBWSJ-YCPHGPKFSA-N 2 1 349.475 1.720 20 0 EDADMP COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430966554 305071426 /nfs/dbraw/zinc/07/14/26/305071426.db2.gz OQAJVJZXRBMKBK-PBHICJAKSA-N 2 1 347.459 1.648 20 0 EDADMP COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430966554 305071427 /nfs/dbraw/zinc/07/14/27/305071427.db2.gz OQAJVJZXRBMKBK-PBHICJAKSA-N 2 1 347.459 1.648 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)C[NH+](C)[C@@H]2CCSC2)CCCO1 ZINC000432551698 305093705 /nfs/dbraw/zinc/09/37/05/305093705.db2.gz HYQOQYPCOZYQMQ-HUUCEWRRSA-N 2 1 329.510 1.041 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)C[N@H+](C)[C@@H]2CCSC2)CCCO1 ZINC000432551698 305093706 /nfs/dbraw/zinc/09/37/06/305093706.db2.gz HYQOQYPCOZYQMQ-HUUCEWRRSA-N 2 1 329.510 1.041 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)C[N@@H+](C)[C@@H]2CCSC2)CCCO1 ZINC000432551698 305093707 /nfs/dbraw/zinc/09/37/07/305093707.db2.gz HYQOQYPCOZYQMQ-HUUCEWRRSA-N 2 1 329.510 1.041 20 0 EDADMP CC[N@H+]1CCC[C@@H](CN(C)C(=O)[C@@H]2CCC[NH+]2C)[C@@H]1c1cnn(C)c1 ZINC000433286716 305104879 /nfs/dbraw/zinc/10/48/79/305104879.db2.gz KCVQHXJKANVRLR-RYQLBKOJSA-N 2 1 347.507 1.746 20 0 EDADMP CC[NH+]1CCC[C@@H](CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H]1c1cnn(C)c1 ZINC000433286716 305104880 /nfs/dbraw/zinc/10/48/80/305104880.db2.gz KCVQHXJKANVRLR-RYQLBKOJSA-N 2 1 347.507 1.746 20 0 EDADMP CC[NH+]1CCC[C@@H](CN(C)C(=O)[C@@H]2CCC[N@H+]2C)[C@@H]1c1cnn(C)c1 ZINC000433286716 305104881 /nfs/dbraw/zinc/10/48/81/305104881.db2.gz KCVQHXJKANVRLR-RYQLBKOJSA-N 2 1 347.507 1.746 20 0 EDADMP CC[N@H+]1CCC[C@@H](CN(C)C(=O)[C@H]2CCC[NH+]2C)[C@@H]1c1cnn(C)c1 ZINC000433286715 305104954 /nfs/dbraw/zinc/10/49/54/305104954.db2.gz KCVQHXJKANVRLR-CGTJXYLNSA-N 2 1 347.507 1.746 20 0 EDADMP CC[NH+]1CCC[C@@H](CN(C)C(=O)[C@H]2CCC[N@@H+]2C)[C@@H]1c1cnn(C)c1 ZINC000433286715 305104955 /nfs/dbraw/zinc/10/49/55/305104955.db2.gz KCVQHXJKANVRLR-CGTJXYLNSA-N 2 1 347.507 1.746 20 0 EDADMP CC[NH+]1CCC[C@@H](CN(C)C(=O)[C@H]2CCC[N@H+]2C)[C@@H]1c1cnn(C)c1 ZINC000433286715 305104956 /nfs/dbraw/zinc/10/49/56/305104956.db2.gz KCVQHXJKANVRLR-CGTJXYLNSA-N 2 1 347.507 1.746 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)[C@H](C)C1 ZINC000433406990 305108220 /nfs/dbraw/zinc/10/82/20/305108220.db2.gz UONUTVXGHNPWCA-KFWWJZLASA-N 2 1 334.468 1.005 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000433870540 305114228 /nfs/dbraw/zinc/11/42/28/305114228.db2.gz RCEZBTCEOOECQZ-PBHICJAKSA-N 2 1 339.505 1.755 20 0 EDADMP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000434693657 305127813 /nfs/dbraw/zinc/12/78/13/305127813.db2.gz OBHCUOXDCULIET-SUMWQHHRSA-N 2 1 328.420 1.777 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000435060824 305135766 /nfs/dbraw/zinc/13/57/66/305135766.db2.gz VIFSFBOYCSYMRG-FQEVSTJZSA-N 2 1 342.487 1.541 20 0 EDADMP CCC[N@@H+](C)CC(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435572175 305142785 /nfs/dbraw/zinc/14/27/85/305142785.db2.gz CQBDWVMHKBIFFD-HNNXBMFYSA-N 2 1 333.480 1.233 20 0 EDADMP CC[N@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435624485 305144003 /nfs/dbraw/zinc/14/40/03/305144003.db2.gz FPIDSGNXLIGWNJ-MRXNPFEDSA-N 2 1 339.505 1.901 20 0 EDADMP CC[N@@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435624485 305144004 /nfs/dbraw/zinc/14/40/04/305144004.db2.gz FPIDSGNXLIGWNJ-MRXNPFEDSA-N 2 1 339.505 1.901 20 0 EDADMP Cc1nc2ccccn2c1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436060150 305151778 /nfs/dbraw/zinc/15/17/78/305151778.db2.gz MVQDYJNUHIDUAT-HNNXBMFYSA-N 2 1 329.448 1.462 20 0 EDADMP CC(C)[NH+](CCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000440992860 305216013 /nfs/dbraw/zinc/21/60/13/305216013.db2.gz PMYWPWLPCLCDLN-UHFFFAOYSA-N 2 1 341.544 1.430 20 0 EDADMP O=c1n2ccccc2nn1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441384479 305221835 /nfs/dbraw/zinc/22/18/35/305221835.db2.gz BMCFURHBKQFRCE-DOTOQJQBSA-N 2 1 341.459 1.445 20 0 EDADMP O=c1n2ccccc2nn1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441384479 305221836 /nfs/dbraw/zinc/22/18/36/305221836.db2.gz BMCFURHBKQFRCE-DOTOQJQBSA-N 2 1 341.459 1.445 20 0 EDADMP O=c1n2ccccc2nn1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441384479 305221837 /nfs/dbraw/zinc/22/18/37/305221837.db2.gz BMCFURHBKQFRCE-DOTOQJQBSA-N 2 1 341.459 1.445 20 0 EDADMP O=c1n2ccccc2nn1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441384479 305221838 /nfs/dbraw/zinc/22/18/38/305221838.db2.gz BMCFURHBKQFRCE-DOTOQJQBSA-N 2 1 341.459 1.445 20 0 EDADMP CC[NH+]1CCC(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000441394651 305221988 /nfs/dbraw/zinc/22/19/88/305221988.db2.gz PIWCMDNPSFUTNW-LPHOPBHVSA-N 3 1 348.535 1.536 20 0 EDADMP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000442261881 305227570 /nfs/dbraw/zinc/22/75/70/305227570.db2.gz GFAVLGQBWKIGGA-UONOGXRCSA-N 2 1 341.415 1.362 20 0 EDADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000442261881 305227571 /nfs/dbraw/zinc/22/75/71/305227571.db2.gz GFAVLGQBWKIGGA-UONOGXRCSA-N 2 1 341.415 1.362 20 0 EDADMP CN(CCN1CCOC(C)(C)C1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000447656200 305283529 /nfs/dbraw/zinc/28/35/29/305283529.db2.gz JSRASUZEAMODHM-QGZVFWFLSA-N 2 1 337.508 1.963 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC000448252067 305294394 /nfs/dbraw/zinc/29/43/94/305294394.db2.gz KZGPUGHRUFZSHY-HOTGVXAUSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC000448252067 305294395 /nfs/dbraw/zinc/29/43/95/305294395.db2.gz KZGPUGHRUFZSHY-HOTGVXAUSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC000448252067 305294396 /nfs/dbraw/zinc/29/43/96/305294396.db2.gz KZGPUGHRUFZSHY-HOTGVXAUSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC000448252067 305294397 /nfs/dbraw/zinc/29/43/97/305294397.db2.gz KZGPUGHRUFZSHY-HOTGVXAUSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000448552208 305297888 /nfs/dbraw/zinc/29/78/88/305297888.db2.gz PPTPWOKYFMVSKH-SFHVURJKSA-N 2 1 344.503 1.214 20 0 EDADMP C[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000448552208 305297889 /nfs/dbraw/zinc/29/78/89/305297889.db2.gz PPTPWOKYFMVSKH-SFHVURJKSA-N 2 1 344.503 1.214 20 0 EDADMP Cn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(-c2ccc(F)cc2)n1 ZINC000449095035 305306394 /nfs/dbraw/zinc/30/63/94/305306394.db2.gz VSWWJRHOLVXVLT-KRWDZBQOSA-N 2 1 332.423 1.773 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@]4(CCSC4)C3)cn2)CC1 ZINC000449731349 305318165 /nfs/dbraw/zinc/31/81/65/305318165.db2.gz IEWRNYGQPVHIDJ-SFHVURJKSA-N 2 1 347.532 1.948 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@]4(CCSC4)C3)cn2)CC1 ZINC000449731349 305318166 /nfs/dbraw/zinc/31/81/66/305318166.db2.gz IEWRNYGQPVHIDJ-SFHVURJKSA-N 2 1 347.532 1.948 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458416187 447355791 /nfs/dbraw/zinc/35/57/91/447355791.db2.gz FBEMJIUYBRJFAN-MRXNPFEDSA-N 2 1 337.468 1.118 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458416187 447355795 /nfs/dbraw/zinc/35/57/95/447355795.db2.gz FBEMJIUYBRJFAN-MRXNPFEDSA-N 2 1 337.468 1.118 20 0 EDADMP C[C@@H](c1ccc(NC(=O)NC[C@H]2C[NH2+]CCO2)cc1)[NH+]1CCOCC1 ZINC000516258625 305735418 /nfs/dbraw/zinc/73/54/18/305735418.db2.gz VZEYCCUFBBKPHC-WMLDXEAASA-N 2 1 348.447 1.190 20 0 EDADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458421337 447358199 /nfs/dbraw/zinc/35/81/99/447358199.db2.gz HYCSBELMNBZDKP-JKSUJKDBSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458421337 447358207 /nfs/dbraw/zinc/35/82/07/447358207.db2.gz HYCSBELMNBZDKP-JKSUJKDBSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458421337 447358213 /nfs/dbraw/zinc/35/82/13/447358213.db2.gz HYCSBELMNBZDKP-JKSUJKDBSA-N 2 1 338.496 1.149 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000414944606 447366666 /nfs/dbraw/zinc/36/66/66/447366666.db2.gz QGFKLPWVIRQQMO-PBHICJAKSA-N 2 1 331.460 1.679 20 0 EDADMP O=C(NCCC[NH+]1CCCC1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532438156 305984208 /nfs/dbraw/zinc/98/42/08/305984208.db2.gz MPLHIUQLFVAKRB-SJORKVTESA-N 2 1 338.496 1.415 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2nnnn2-c2ccccc2)[C@H](C)C1 ZINC000533532563 306000308 /nfs/dbraw/zinc/00/03/08/306000308.db2.gz VCRVARNHTRTIIQ-WBVHZDCISA-N 2 1 328.464 1.867 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2nnnn2-c2ccccc2)[C@H](C)C1 ZINC000533532563 306000309 /nfs/dbraw/zinc/00/03/09/306000309.db2.gz VCRVARNHTRTIIQ-WBVHZDCISA-N 2 1 328.464 1.867 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2nnnn2-c2ccccc2)[C@H](C)C1 ZINC000533532563 306000310 /nfs/dbraw/zinc/00/03/10/306000310.db2.gz VCRVARNHTRTIIQ-WBVHZDCISA-N 2 1 328.464 1.867 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2nnnn2-c2ccccc2)[C@H](C)C1 ZINC000533532563 306000311 /nfs/dbraw/zinc/00/03/11/306000311.db2.gz VCRVARNHTRTIIQ-WBVHZDCISA-N 2 1 328.464 1.867 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000542726343 306057257 /nfs/dbraw/zinc/05/72/57/306057257.db2.gz BSCNXIBZHGQKBC-UHFFFAOYSA-N 2 1 348.491 1.768 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000543743706 306068662 /nfs/dbraw/zinc/06/86/62/306068662.db2.gz ORERKDAMXYEQCI-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000544586415 306076978 /nfs/dbraw/zinc/07/69/78/306076978.db2.gz PZZDLPXYBPIYLZ-KRWDZBQOSA-N 2 1 341.496 1.104 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](C)C2)cn2cc[nH+]c12 ZINC000550865231 306154844 /nfs/dbraw/zinc/15/48/44/306154844.db2.gz VFPRUYHLCATPNQ-LBPRGKRZSA-N 2 1 329.404 1.039 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)cn2cc[nH+]c12 ZINC000550865231 306154845 /nfs/dbraw/zinc/15/48/45/306154845.db2.gz VFPRUYHLCATPNQ-LBPRGKRZSA-N 2 1 329.404 1.039 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC000551897190 306166422 /nfs/dbraw/zinc/16/64/22/306166422.db2.gz ZIHANEVJNLFAIN-ZWKOTPCHSA-N 2 1 349.523 1.869 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000553481286 306185535 /nfs/dbraw/zinc/18/55/35/306185535.db2.gz IJNDDKCPCCBCBC-IEBWSBKVSA-N 2 1 345.487 1.593 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000553481286 306185536 /nfs/dbraw/zinc/18/55/36/306185536.db2.gz IJNDDKCPCCBCBC-IEBWSBKVSA-N 2 1 345.487 1.593 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000422146299 447371879 /nfs/dbraw/zinc/37/18/79/447371879.db2.gz URGJHHPETRRKKW-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422146299 447371887 /nfs/dbraw/zinc/37/18/87/447371887.db2.gz URGJHHPETRRKKW-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000422146299 447371893 /nfs/dbraw/zinc/37/18/93/447371893.db2.gz URGJHHPETRRKKW-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000377824529 447375044 /nfs/dbraw/zinc/37/50/44/447375044.db2.gz SSQDCJUZWZNTLR-SFHVURJKSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH+]1CCC(CNC(=O)C23CCC[NH+]2CCC3)(N2CCCCC2)CC1 ZINC000377904994 447388146 /nfs/dbraw/zinc/38/81/46/447388146.db2.gz HUIQHIQOEYQZEH-UHFFFAOYSA-N 2 1 348.535 1.681 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000426125445 447394990 /nfs/dbraw/zinc/39/49/90/447394990.db2.gz DTWZGDLHIVSPDH-ZIFCJYIRSA-N 2 1 348.535 1.630 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426125445 447394993 /nfs/dbraw/zinc/39/49/93/447394993.db2.gz DTWZGDLHIVSPDH-ZIFCJYIRSA-N 2 1 348.535 1.630 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426125445 447394998 /nfs/dbraw/zinc/39/49/98/447394998.db2.gz DTWZGDLHIVSPDH-ZIFCJYIRSA-N 2 1 348.535 1.630 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N(C)C[C@@H]2CCC[NH+]2C)CCCO1 ZINC000422207835 447403526 /nfs/dbraw/zinc/40/35/26/447403526.db2.gz QPYCHPCKYDHDFM-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC000422207835 447403534 /nfs/dbraw/zinc/40/35/34/447403534.db2.gz QPYCHPCKYDHDFM-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CCCO1 ZINC000422207835 447403540 /nfs/dbraw/zinc/40/35/40/447403540.db2.gz QPYCHPCKYDHDFM-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccn(C)c1 ZINC000081509532 441279283 /nfs/dbraw/zinc/27/92/83/441279283.db2.gz WFASCRYPOJSNOM-KRWDZBQOSA-N 2 1 335.496 1.583 20 0 EDADMP CC[NH+]1CCN(CC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000073553586 441324793 /nfs/dbraw/zinc/32/47/93/441324793.db2.gz ZQTHMLREIXRKLA-KRWDZBQOSA-N 2 1 332.492 1.261 20 0 EDADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COCc2ccc(OC)cc2)CC1 ZINC000106388601 441336433 /nfs/dbraw/zinc/33/64/33/441336433.db2.gz IXBVXMDULCSMMI-GOSISDBHSA-N 2 1 336.476 1.989 20 0 EDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COCc2ccc(OC)cc2)CC1 ZINC000106388601 441336436 /nfs/dbraw/zinc/33/64/36/441336436.db2.gz IXBVXMDULCSMMI-GOSISDBHSA-N 2 1 336.476 1.989 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000073638423 441337138 /nfs/dbraw/zinc/33/71/38/441337138.db2.gz VPOMZKKKHNTKOJ-QGZVFWFLSA-N 2 1 335.448 1.423 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000073638423 441337140 /nfs/dbraw/zinc/33/71/40/441337140.db2.gz VPOMZKKKHNTKOJ-QGZVFWFLSA-N 2 1 335.448 1.423 20 0 EDADMP COCCCNC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564778 441312825 /nfs/dbraw/zinc/31/28/25/441312825.db2.gz XHFSSDGFRPWANI-UHFFFAOYSA-N 2 1 325.497 1.727 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000106580717 441358917 /nfs/dbraw/zinc/35/89/17/441358917.db2.gz WPLBUKYWXBYSRQ-MRXNPFEDSA-N 2 1 339.528 1.234 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083738331 441373454 /nfs/dbraw/zinc/37/34/54/441373454.db2.gz KYRPLCNIUJJSOU-UHFFFAOYSA-N 2 1 336.484 1.502 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(O)CC3)CC2)cc1 ZINC000051590393 441416947 /nfs/dbraw/zinc/41/69/47/441416947.db2.gz GWJFOSYLRPSLGO-UHFFFAOYSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(O)CC3)CC2)cc1 ZINC000051590393 441416950 /nfs/dbraw/zinc/41/69/50/441416950.db2.gz GWJFOSYLRPSLGO-UHFFFAOYSA-N 2 1 345.487 1.486 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000074855648 441473100 /nfs/dbraw/zinc/47/31/00/441473100.db2.gz XWHTVKJOTRGGQY-IAGOWNOFSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000074855648 441473105 /nfs/dbraw/zinc/47/31/05/441473105.db2.gz XWHTVKJOTRGGQY-IAGOWNOFSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000109701397 441502928 /nfs/dbraw/zinc/50/29/28/441502928.db2.gz CDKRWCHCAXWVAO-IAGOWNOFSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000109701397 441502931 /nfs/dbraw/zinc/50/29/31/441502931.db2.gz CDKRWCHCAXWVAO-IAGOWNOFSA-N 2 1 336.524 1.536 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)CC[C@@H](C)O)CC1 ZINC000075778908 441554845 /nfs/dbraw/zinc/55/48/45/441554845.db2.gz ITOJFJIHIKTLSV-QGZVFWFLSA-N 2 1 347.503 1.778 20 0 EDADMP C[N@@H+](CCN1CCN(C[C@@H](O)C(F)(F)F)CC1)Cc1ccccc1 ZINC000158224486 441708646 /nfs/dbraw/zinc/70/86/46/441708646.db2.gz WMILQENDRHGIBO-MRXNPFEDSA-N 2 1 345.409 1.659 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000115784210 441777608 /nfs/dbraw/zinc/77/76/08/441777608.db2.gz HUIDTGYJYRFDFR-WBVHZDCISA-N 2 1 340.512 1.517 20 0 EDADMP CC1CC[NH+](C[C@@H](O)CNC2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000158994052 441779354 /nfs/dbraw/zinc/77/93/54/441779354.db2.gz BUTIHEONLTVFFP-FQEVSTJZSA-N 2 1 346.519 1.728 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000138612864 441795636 /nfs/dbraw/zinc/79/56/36/441795636.db2.gz POWUJQCCECGMLS-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@H](Cc2nccn2C)C1)[N@@H+](C)C1CC1 ZINC000138949747 441800685 /nfs/dbraw/zinc/80/06/85/441800685.db2.gz JXSQLWYTMVIEGJ-GJZGRUSLSA-N 2 1 333.480 1.867 20 0 EDADMP CC(C)C[N@H+]1CCCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000077775205 441857712 /nfs/dbraw/zinc/85/77/12/441857712.db2.gz HMTLTIYIYFGHJU-UHFFFAOYSA-N 2 1 340.512 1.472 20 0 EDADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000068606757 441831636 /nfs/dbraw/zinc/83/16/36/441831636.db2.gz JNHODOVZZRSPAM-UHFFFAOYSA-N 2 1 346.475 1.031 20 0 EDADMP CC[C@@H](C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000124766518 441951231 /nfs/dbraw/zinc/95/12/31/441951231.db2.gz XPIATQLLZQFOAN-IBGZPJMESA-N 2 1 346.519 1.651 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC000126122076 442080852 /nfs/dbraw/zinc/08/08/52/442080852.db2.gz ORWFVXPOUUAWIT-INIZCTEOSA-N 2 1 328.501 1.232 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000126122076 442080857 /nfs/dbraw/zinc/08/08/57/442080857.db2.gz ORWFVXPOUUAWIT-INIZCTEOSA-N 2 1 328.501 1.232 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000126122076 442080863 /nfs/dbraw/zinc/08/08/63/442080863.db2.gz ORWFVXPOUUAWIT-INIZCTEOSA-N 2 1 328.501 1.232 20 0 EDADMP COc1cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1OCC(N)=O ZINC000162672820 442114024 /nfs/dbraw/zinc/11/40/24/442114024.db2.gz GXADAECTLOWBNX-NFAWXSAZSA-N 2 1 335.448 1.378 20 0 EDADMP COc1cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1OCC(N)=O ZINC000162672820 442114026 /nfs/dbraw/zinc/11/40/26/442114026.db2.gz GXADAECTLOWBNX-NFAWXSAZSA-N 2 1 335.448 1.378 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000162610348 442108817 /nfs/dbraw/zinc/10/88/17/442108817.db2.gz BVRMZOLOMONRPI-UHFFFAOYSA-N 2 1 333.436 1.378 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000162610348 442108820 /nfs/dbraw/zinc/10/88/20/442108820.db2.gz BVRMZOLOMONRPI-UHFFFAOYSA-N 2 1 333.436 1.378 20 0 EDADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000458672508 447447157 /nfs/dbraw/zinc/44/71/57/447447157.db2.gz YOUADRXUWLQYDT-DLBZAZTESA-N 2 1 340.512 1.397 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000176329652 442210909 /nfs/dbraw/zinc/21/09/09/442210909.db2.gz GINVSMUFAVTNRE-OAHLLOKOSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000128717502 442284315 /nfs/dbraw/zinc/28/43/15/442284315.db2.gz WZVSSIQASJFWGB-IRXDYDNUSA-N 2 1 345.491 1.050 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000130524481 442348859 /nfs/dbraw/zinc/34/88/59/442348859.db2.gz JDVZTFYWLWQGDF-CQSZACIVSA-N 2 1 330.432 1.012 20 0 EDADMP CC[C@@H]([NH3+])C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000130616169 442351725 /nfs/dbraw/zinc/35/17/25/442351725.db2.gz GWSXCOUDPLOEKY-GOSISDBHSA-N 2 1 332.492 1.438 20 0 EDADMP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129460152 442317311 /nfs/dbraw/zinc/31/73/11/442317311.db2.gz CQKKSLCGKREPQS-IEBWSBKVSA-N 2 1 345.487 1.388 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)N1CC[NH+](C)CC1 ZINC000177237417 442318118 /nfs/dbraw/zinc/31/81/18/442318118.db2.gz NTXMNQXGQRREAP-MRXNPFEDSA-N 2 1 336.524 1.536 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)COC ZINC000494612440 447448712 /nfs/dbraw/zinc/44/87/12/447448712.db2.gz NNZQCTAQQXREFU-INIZCTEOSA-N 2 1 342.528 1.717 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H](C)N2CCSCC2)CC[N@H+]1CCOC ZINC000131020316 442362162 /nfs/dbraw/zinc/36/21/62/442362162.db2.gz DONPICISJNKGRJ-CVEARBPZSA-N 2 1 343.537 1.383 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H](C)N2CCSCC2)CCN1CCOC ZINC000131020316 442362166 /nfs/dbraw/zinc/36/21/66/442362166.db2.gz DONPICISJNKGRJ-CVEARBPZSA-N 2 1 343.537 1.383 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000133611730 442426127 /nfs/dbraw/zinc/42/61/27/442426127.db2.gz NCWGPSFZPIBMFI-QZTJIDSGSA-N 2 1 346.523 1.309 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000178812587 442492071 /nfs/dbraw/zinc/49/20/71/442492071.db2.gz SWVJMLXGRGQYNQ-CRAIPNDOSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000178812587 442492075 /nfs/dbraw/zinc/49/20/75/442492075.db2.gz SWVJMLXGRGQYNQ-CRAIPNDOSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C[NH3+] ZINC000156648594 442505697 /nfs/dbraw/zinc/50/56/97/442505697.db2.gz FRAHWZRMCRXRLT-PKOBYXMFSA-N 2 1 344.503 1.390 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000156678659 442508170 /nfs/dbraw/zinc/50/81/70/442508170.db2.gz YAMCBOJRGORYHP-HKUYNNGSSA-N 2 1 344.503 1.261 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000172798027 442544106 /nfs/dbraw/zinc/54/41/06/442544106.db2.gz KOWJJUGCVLEBKO-MRXNPFEDSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000192017574 442569475 /nfs/dbraw/zinc/56/94/75/442569475.db2.gz UJFDFDSZVNXINN-NWDGAFQWSA-N 2 1 325.375 1.083 20 0 EDADMP CC[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000192231293 442619058 /nfs/dbraw/zinc/61/90/58/442619058.db2.gz BRJSNWLSTKNBLC-ZWKOTPCHSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@@H]1CN(c2ccc(CNC(=O)c3cnccc3N)cn2)CCO1 ZINC000188064099 442707241 /nfs/dbraw/zinc/70/72/41/442707241.db2.gz MVHCXLAIODMACN-GFCCVEGCSA-N 2 1 327.388 1.214 20 0 EDADMP CC[NH+](CC)CCN1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000181367088 442693034 /nfs/dbraw/zinc/69/30/34/442693034.db2.gz FOUYNKCDYJTEML-UHFFFAOYSA-N 2 1 338.540 1.594 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000187287017 442667170 /nfs/dbraw/zinc/66/71/70/442667170.db2.gz AODLCGNROQHFFE-AWEZNQCLSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[C@H](C)N1CCOCC1 ZINC000246340260 442774185 /nfs/dbraw/zinc/77/41/85/442774185.db2.gz OIVVZVRDDSMBQS-WCVJEAGWSA-N 2 1 326.485 1.077 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000247040086 442831048 /nfs/dbraw/zinc/83/10/48/442831048.db2.gz MRUXGJOZTKQDLC-NCOADZHNSA-N 2 1 327.538 1.513 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000246874582 442819063 /nfs/dbraw/zinc/81/90/63/442819063.db2.gz FJMLMYDKUHKOBY-WMZOPIPTSA-N 2 1 339.524 1.970 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CN2CCOCC2)[C@H](C)C1 ZINC000246989115 442826090 /nfs/dbraw/zinc/82/60/90/442826090.db2.gz KCSFYVJJDZXAEG-KURKYZTESA-N 2 1 327.513 1.434 20 0 EDADMP C[C@@H]1CN(C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000247196198 442841475 /nfs/dbraw/zinc/84/14/75/442841475.db2.gz QRPVVEZBQLDNRC-OWCLPIDISA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000247196198 442841483 /nfs/dbraw/zinc/84/14/83/442841483.db2.gz QRPVVEZBQLDNRC-OWCLPIDISA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000247196198 442841486 /nfs/dbraw/zinc/84/14/86/442841486.db2.gz QRPVVEZBQLDNRC-OWCLPIDISA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000247196198 442841491 /nfs/dbraw/zinc/84/14/91/442841491.db2.gz QRPVVEZBQLDNRC-OWCLPIDISA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[C@@H](C(=O)NCC1(C)CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000183358519 442924887 /nfs/dbraw/zinc/92/48/87/442924887.db2.gz KRMHJEHLFQTSAT-XHSDSOJGSA-N 2 1 325.497 1.626 20 0 EDADMP CC(C)[C@@H](C(=O)NCC1(C)CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000183358519 442924892 /nfs/dbraw/zinc/92/48/92/442924892.db2.gz KRMHJEHLFQTSAT-XHSDSOJGSA-N 2 1 325.497 1.626 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1CO ZINC000248890636 442935442 /nfs/dbraw/zinc/93/54/42/442935442.db2.gz FRRFGAYDZCXXHU-APWZRJJASA-N 2 1 345.487 1.601 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C[NH+]1C1CC1 ZINC000249128267 442954119 /nfs/dbraw/zinc/95/41/19/442954119.db2.gz RKOGLKVAEGZFGK-RRFJBIMHSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000194826098 442959255 /nfs/dbraw/zinc/95/92/55/442959255.db2.gz BLQIHZHUWJPRDR-GASCZTMLSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000194826098 442959258 /nfs/dbraw/zinc/95/92/58/442959258.db2.gz BLQIHZHUWJPRDR-GASCZTMLSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000195012794 442976435 /nfs/dbraw/zinc/97/64/35/442976435.db2.gz CQTUTFFPMFPEJY-YVSFHVDLSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000195012794 442976438 /nfs/dbraw/zinc/97/64/38/442976438.db2.gz CQTUTFFPMFPEJY-YVSFHVDLSA-N 2 1 340.512 1.610 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccnc1OC ZINC000195118853 442983415 /nfs/dbraw/zinc/98/34/15/442983415.db2.gz NUNOBMSZNIJMNW-OAHLLOKOSA-N 2 1 349.479 1.970 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2n[nH]nc2c1 ZINC000195122470 442985128 /nfs/dbraw/zinc/98/51/28/442985128.db2.gz KOMCPBGBXYIELU-HNNXBMFYSA-N 2 1 344.463 1.446 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000249555550 442986934 /nfs/dbraw/zinc/98/69/34/442986934.db2.gz JOWSPPHAIOZTFB-SOLBZPMBSA-N 2 1 337.508 1.724 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184145538 442996140 /nfs/dbraw/zinc/99/61/40/442996140.db2.gz YTBZQTKDKYSMEE-UHFFFAOYSA-N 2 1 346.475 1.350 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184145538 442996144 /nfs/dbraw/zinc/99/61/44/442996144.db2.gz YTBZQTKDKYSMEE-UHFFFAOYSA-N 2 1 346.475 1.350 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184220859 443002530 /nfs/dbraw/zinc/00/25/30/443002530.db2.gz KOJVTSSCMPKEDV-MRXNPFEDSA-N 2 1 325.497 1.759 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000190354442 443090985 /nfs/dbraw/zinc/09/09/85/443090985.db2.gz JHFLVELHHJSODI-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000297277115 318757339 /nfs/dbraw/zinc/75/73/39/318757339.db2.gz CSZHSHLDJADLQR-OAHLLOKOSA-N 2 1 328.420 1.366 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000266477614 443139624 /nfs/dbraw/zinc/13/96/24/443139624.db2.gz CYXHSBCJUJZBOP-OALUTQOASA-N 2 1 345.487 1.642 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000266477613 443139805 /nfs/dbraw/zinc/13/98/05/443139805.db2.gz CYXHSBCJUJZBOP-MOPGFXCFSA-N 2 1 345.487 1.642 20 0 EDADMP COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184948932 443104774 /nfs/dbraw/zinc/10/47/74/443104774.db2.gz WFJUEJXMAICOIJ-HOCLYGCPSA-N 2 1 335.448 1.146 20 0 EDADMP Cc1nc(C)c(C)c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1 ZINC000255961367 443115188 /nfs/dbraw/zinc/11/51/88/443115188.db2.gz DNGJQQKEHLYHOP-GOSISDBHSA-N 2 1 347.507 1.633 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@@H](O)C34CCC4)CC2)CC1 ZINC000619069801 450398938 /nfs/dbraw/zinc/39/89/38/450398938.db2.gz FPRPLKKEBAPBEH-ZWKOTPCHSA-N 2 1 349.519 1.602 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000269002386 443170515 /nfs/dbraw/zinc/17/05/15/443170515.db2.gz PLDRDKTVOPMDLP-MJGOQNOKSA-N 3 1 331.504 1.943 20 0 EDADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000269002386 443170518 /nfs/dbraw/zinc/17/05/18/443170518.db2.gz PLDRDKTVOPMDLP-MJGOQNOKSA-N 2 1 331.504 1.943 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc2c1OCCCO2 ZINC000262148173 443183861 /nfs/dbraw/zinc/18/38/61/443183861.db2.gz ZQBKBIZWROQCFP-INIZCTEOSA-N 2 1 347.459 1.667 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc2c1OCCCO2 ZINC000262148173 443183865 /nfs/dbraw/zinc/18/38/65/443183865.db2.gz ZQBKBIZWROQCFP-INIZCTEOSA-N 2 1 347.459 1.667 20 0 EDADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263172317 443225827 /nfs/dbraw/zinc/22/58/27/443225827.db2.gz FWCGZJGGKNCSJI-WMZOPIPTSA-N 2 1 342.487 1.899 20 0 EDADMP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000269235362 443244512 /nfs/dbraw/zinc/24/45/12/443244512.db2.gz GHTCZVWUPTUAJR-ZWKOTPCHSA-N 2 1 331.460 1.046 20 0 EDADMP [NH3+]CCCn1ccc2cc(C(=O)NCCC[NH+]3CCOCC3)ccc21 ZINC000269220125 443238015 /nfs/dbraw/zinc/23/80/15/443238015.db2.gz AKGJASLTEYQIBW-UHFFFAOYSA-N 2 1 344.459 1.442 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000185680410 443238190 /nfs/dbraw/zinc/23/81/90/443238190.db2.gz HUWQMKOBUSFGJU-JKSUJKDBSA-N 2 1 327.517 1.042 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185680410 443238192 /nfs/dbraw/zinc/23/81/92/443238192.db2.gz HUWQMKOBUSFGJU-JKSUJKDBSA-N 2 1 327.517 1.042 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185680410 443238194 /nfs/dbraw/zinc/23/81/94/443238194.db2.gz HUWQMKOBUSFGJU-JKSUJKDBSA-N 2 1 327.517 1.042 20 0 EDADMP C[C@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000269230676 443242127 /nfs/dbraw/zinc/24/21/27/443242127.db2.gz VQTNHZRGGDVZCZ-UHOSZYNNSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000269230676 443242129 /nfs/dbraw/zinc/24/21/29/443242129.db2.gz VQTNHZRGGDVZCZ-UHOSZYNNSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000262712407 443208233 /nfs/dbraw/zinc/20/82/33/443208233.db2.gz FSTCUJIBWOBABH-OWCLPIDISA-N 2 1 333.480 1.658 20 0 EDADMP COC(=O)Cn1cc(CC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000185716082 443243646 /nfs/dbraw/zinc/24/36/46/443243646.db2.gz WWYMCDQFTCTIOC-CABCVRRESA-N 2 1 349.479 1.236 20 0 EDADMP C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000382763719 319125163 /nfs/dbraw/zinc/12/51/63/319125163.db2.gz OTVQBSBDTOXGNQ-SFHVURJKSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCC(=O)N1CC[NH2+]CC1 ZINC000382763719 319125164 /nfs/dbraw/zinc/12/51/64/319125164.db2.gz OTVQBSBDTOXGNQ-SFHVURJKSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CCC(=O)N1CC[NH2+]CC1 ZINC000382763719 319125165 /nfs/dbraw/zinc/12/51/65/319125165.db2.gz OTVQBSBDTOXGNQ-SFHVURJKSA-N 2 1 344.503 1.405 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000411918537 319213376 /nfs/dbraw/zinc/21/33/76/319213376.db2.gz AKKBIWGVBLBATA-QZTJIDSGSA-N 2 1 331.460 1.395 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000411918537 319213380 /nfs/dbraw/zinc/21/33/80/319213380.db2.gz AKKBIWGVBLBATA-QZTJIDSGSA-N 2 1 331.460 1.395 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000415937976 319383684 /nfs/dbraw/zinc/38/36/84/319383684.db2.gz ZUYYPIAUKMNYCA-UHFFFAOYSA-N 2 1 347.507 1.944 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000191431540 443293713 /nfs/dbraw/zinc/29/37/13/443293713.db2.gz UMYMCCHVPDKCFW-CRAIPNDOSA-N 2 1 349.475 1.516 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000186037272 443300810 /nfs/dbraw/zinc/30/08/10/443300810.db2.gz AGJZUAJUQJKDPL-MRXNPFEDSA-N 2 1 347.507 1.896 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCCC1=CC[NH2+]CC1)[NH+](C)C ZINC000416853315 319466879 /nfs/dbraw/zinc/46/68/79/319466879.db2.gz TZHOEPOAQRMULS-QGZVFWFLSA-N 2 1 346.475 1.907 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000416937478 319479114 /nfs/dbraw/zinc/47/91/14/319479114.db2.gz JJKCWOPDUAOHEF-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NCCC[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000416939711 319479814 /nfs/dbraw/zinc/47/98/14/319479814.db2.gz NKEBSCOMVYAHPW-INIZCTEOSA-N 2 1 326.485 1.175 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@H]1CCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416942857 319481296 /nfs/dbraw/zinc/48/12/96/319481296.db2.gz SLYHFEZMRKOYJQ-XHSDSOJGSA-N 2 1 326.485 1.160 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000269554559 443346965 /nfs/dbraw/zinc/34/69/65/443346965.db2.gz ZKDLYSKMMQHORO-IBGZPJMESA-N 2 1 345.487 1.811 20 0 EDADMP CC[C@@H](C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000269559157 443348149 /nfs/dbraw/zinc/34/81/49/443348149.db2.gz QFBYFXPRIUUABV-OALUTQOASA-N 2 1 347.503 1.642 20 0 EDADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000264815248 443438311 /nfs/dbraw/zinc/43/83/11/443438311.db2.gz YYGZTDKCFQYXBU-IBGZPJMESA-N 2 1 344.503 1.648 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@H]1CCOC1 ZINC000267475241 443470595 /nfs/dbraw/zinc/47/05/95/443470595.db2.gz ZAAVWGCXGCDPDI-BHIYHBOVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@H]1CCOC1 ZINC000267475241 443470598 /nfs/dbraw/zinc/47/05/98/443470598.db2.gz ZAAVWGCXGCDPDI-BHIYHBOVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@H]1CCOC1 ZINC000267475241 443470599 /nfs/dbraw/zinc/47/05/99/443470599.db2.gz ZAAVWGCXGCDPDI-BHIYHBOVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000272329901 443593293 /nfs/dbraw/zinc/59/32/93/443593293.db2.gz VMOVUNHGALTSRL-CRAIPNDOSA-N 2 1 330.476 1.243 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000431020169 319937045 /nfs/dbraw/zinc/93/70/45/319937045.db2.gz WZRRXMCQZPGCSO-SUMWQHHRSA-N 2 1 328.416 1.736 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000431020168 319937175 /nfs/dbraw/zinc/93/71/75/319937175.db2.gz WZRRXMCQZPGCSO-GUYCJALGSA-N 2 1 328.416 1.736 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000279939451 443646170 /nfs/dbraw/zinc/64/61/70/443646170.db2.gz QZOSQBSABCBZGD-BBWFWOEESA-N 2 1 345.491 1.096 20 0 EDADMP CC1(C)C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1O ZINC000279943551 443646871 /nfs/dbraw/zinc/64/68/71/443646871.db2.gz XKQPNCMWCAQKLE-SFHVURJKSA-N 2 1 345.487 1.601 20 0 EDADMP O=C(CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCC1 ZINC000286176247 443662276 /nfs/dbraw/zinc/66/22/76/443662276.db2.gz WYCXVCMYNMIJQH-IBGZPJMESA-N 2 1 342.487 1.111 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000434736789 320000634 /nfs/dbraw/zinc/00/06/34/320000634.db2.gz HSKPROPWAHQKFR-FUHWJXTLSA-N 2 1 330.480 1.940 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000434736789 320000636 /nfs/dbraw/zinc/00/06/36/320000636.db2.gz HSKPROPWAHQKFR-FUHWJXTLSA-N 2 1 330.480 1.940 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CCSC1 ZINC000447959909 320150726 /nfs/dbraw/zinc/15/07/26/320150726.db2.gz URKSKFIHSNTGNR-PBHICJAKSA-N 2 1 342.553 1.843 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)CNS(C)(=O)=O)[C@@H](C)C1 ZINC000453296448 320262611 /nfs/dbraw/zinc/26/26/11/320262611.db2.gz YSIPETKZYMXZGM-JYJNAYRXSA-N 2 1 349.541 1.041 20 0 EDADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453644330 320266265 /nfs/dbraw/zinc/26/62/65/320266265.db2.gz MHXCTBMUYXBMBR-INIZCTEOSA-N 2 1 332.448 1.242 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH+](C)C ZINC000457494415 320328194 /nfs/dbraw/zinc/32/81/94/320328194.db2.gz XWWNYIAMTTYSPD-USXIJHARSA-N 2 1 346.475 1.643 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH+](C)C ZINC000457494415 320328195 /nfs/dbraw/zinc/32/81/95/320328195.db2.gz XWWNYIAMTTYSPD-USXIJHARSA-N 2 1 346.475 1.643 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000479373016 320355465 /nfs/dbraw/zinc/35/54/65/320355465.db2.gz AQUCMZJMZYKPEH-QZWWFDLISA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000479373016 320355466 /nfs/dbraw/zinc/35/54/66/320355466.db2.gz AQUCMZJMZYKPEH-QZWWFDLISA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000479373016 320355467 /nfs/dbraw/zinc/35/54/67/320355467.db2.gz AQUCMZJMZYKPEH-QZWWFDLISA-N 2 1 340.512 1.203 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(CCc2c(C)nc3sccn3c2=O)C1 ZINC000286297851 443685603 /nfs/dbraw/zinc/68/56/03/443685603.db2.gz GJPUGAOJEWNONQ-AWEZNQCLSA-N 2 1 334.489 1.881 20 0 EDADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2c(C)nc3sccn3c2=O)C1 ZINC000286297851 443685605 /nfs/dbraw/zinc/68/56/05/443685605.db2.gz GJPUGAOJEWNONQ-AWEZNQCLSA-N 2 1 334.489 1.881 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2c(C)nc3sccn3c2=O)C1 ZINC000286297851 443685607 /nfs/dbraw/zinc/68/56/07/443685607.db2.gz GJPUGAOJEWNONQ-AWEZNQCLSA-N 2 1 334.489 1.881 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2c(C)nc3sccn3c2=O)C1 ZINC000286297851 443685609 /nfs/dbraw/zinc/68/56/09/443685609.db2.gz GJPUGAOJEWNONQ-AWEZNQCLSA-N 2 1 334.489 1.881 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2c(C)nc3sccn3c2=O)C1 ZINC000286297851 443685612 /nfs/dbraw/zinc/68/56/12/443685612.db2.gz GJPUGAOJEWNONQ-AWEZNQCLSA-N 2 1 334.489 1.881 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000518526204 320458348 /nfs/dbraw/zinc/45/83/48/320458348.db2.gz NCPNAJJGESDFHM-SOLBZPMBSA-N 2 1 330.476 1.169 20 0 EDADMP COc1cc2[nH+]ccc(NC[C@@H]3C[N@@H+](C)CCN3C)c2cc1OC ZINC000298252974 443730783 /nfs/dbraw/zinc/73/07/83/443730783.db2.gz NGTNTCHKUJHDAC-CYBMUJFWSA-N 2 1 330.432 1.910 20 0 EDADMP COc1cc2[nH+]ccc(NC[C@@H]3CN(C)CC[N@@H+]3C)c2cc1OC ZINC000298252974 443730785 /nfs/dbraw/zinc/73/07/85/443730785.db2.gz NGTNTCHKUJHDAC-CYBMUJFWSA-N 2 1 330.432 1.910 20 0 EDADMP COc1cc2[nH+]ccc(NC[C@@H]3CN(C)CC[N@H+]3C)c2cc1OC ZINC000298252974 443730792 /nfs/dbraw/zinc/73/07/92/443730792.db2.gz NGTNTCHKUJHDAC-CYBMUJFWSA-N 2 1 330.432 1.910 20 0 EDADMP Cn1nc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c2ccccc21 ZINC000625523054 450408052 /nfs/dbraw/zinc/40/80/52/450408052.db2.gz WNVDSEVIWZPHHJ-AWEZNQCLSA-N 2 1 341.459 1.472 20 0 EDADMP Cn1nc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c2ccccc21 ZINC000625523054 450408057 /nfs/dbraw/zinc/40/80/57/450408057.db2.gz WNVDSEVIWZPHHJ-AWEZNQCLSA-N 2 1 341.459 1.472 20 0 EDADMP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2c[nH+]cn2C)c(OC)c1 ZINC000530513110 320629275 /nfs/dbraw/zinc/62/92/75/320629275.db2.gz DPJRIHJHJSUTGB-CYBMUJFWSA-N 2 1 346.431 1.987 20 0 EDADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NC(N)=O ZINC000298887214 443892359 /nfs/dbraw/zinc/89/23/59/443892359.db2.gz SJCXKNXBAVQTOP-KBPBESRZSA-N 2 1 332.448 1.734 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sccc2C(N)=O)CC[N@@H+]1C ZINC000298822902 443877685 /nfs/dbraw/zinc/87/76/85/443877685.db2.gz BCTHTARNKBNNIM-RYUDHWBXSA-N 2 1 338.477 1.590 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sccc2C(N)=O)CC[N@H+]1C ZINC000298822902 443877688 /nfs/dbraw/zinc/87/76/88/443877688.db2.gz BCTHTARNKBNNIM-RYUDHWBXSA-N 2 1 338.477 1.590 20 0 EDADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sccc2C(N)=O)CC[NH+]1C ZINC000298822902 443877691 /nfs/dbraw/zinc/87/76/91/443877691.db2.gz BCTHTARNKBNNIM-RYUDHWBXSA-N 2 1 338.477 1.590 20 0 EDADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2C(N)=O)CC[NH+]1C ZINC000298822902 443877692 /nfs/dbraw/zinc/87/76/92/443877692.db2.gz BCTHTARNKBNNIM-RYUDHWBXSA-N 2 1 338.477 1.590 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000288502925 443901122 /nfs/dbraw/zinc/90/11/22/443901122.db2.gz BJOSMEYXBFJRBM-MRXNPFEDSA-N 2 1 335.448 1.424 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)cc2C1 ZINC000299101752 443954934 /nfs/dbraw/zinc/95/49/34/443954934.db2.gz SYCIJCTUFBEANB-IAGOWNOFSA-N 2 1 342.443 1.314 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)cc2C1 ZINC000299101752 443954937 /nfs/dbraw/zinc/95/49/37/443954937.db2.gz SYCIJCTUFBEANB-IAGOWNOFSA-N 2 1 342.443 1.314 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2C1 ZINC000299101752 443954940 /nfs/dbraw/zinc/95/49/40/443954940.db2.gz SYCIJCTUFBEANB-IAGOWNOFSA-N 2 1 342.443 1.314 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)cc2C1 ZINC000299101752 443954942 /nfs/dbraw/zinc/95/49/42/443954942.db2.gz SYCIJCTUFBEANB-IAGOWNOFSA-N 2 1 342.443 1.314 20 0 EDADMP CNC(=O)NC(=O)CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000299297848 444009672 /nfs/dbraw/zinc/00/96/72/444009672.db2.gz MRVPQAZCXUNQRO-HWWDLCQESA-N 2 1 346.475 1.578 20 0 EDADMP CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000560335471 321021156 /nfs/dbraw/zinc/02/11/56/321021156.db2.gz ACCBTGBZJRNDBS-INIZCTEOSA-N 2 1 346.475 1.282 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000560335471 321021158 /nfs/dbraw/zinc/02/11/58/321021158.db2.gz ACCBTGBZJRNDBS-INIZCTEOSA-N 2 1 346.475 1.282 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2cnc(N3CCCC3)nc2)CC1(C)C ZINC000562457040 321058729 /nfs/dbraw/zinc/05/87/29/321058729.db2.gz VSFGZOFTLDCYNT-UHFFFAOYSA-N 2 1 332.496 1.192 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC[N@H+]1C ZINC000562769672 321076116 /nfs/dbraw/zinc/07/61/16/321076116.db2.gz JNVOSYVCFUFPLJ-YOEHRIQHSA-N 2 1 331.464 1.702 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000565174863 321173093 /nfs/dbraw/zinc/17/30/93/321173093.db2.gz UIJPRULEYVDEBE-UXHICEINSA-N 2 1 331.504 1.897 20 0 EDADMP CC[NH+](C)C[C@@H](O)CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000565174863 321173095 /nfs/dbraw/zinc/17/30/95/321173095.db2.gz UIJPRULEYVDEBE-UXHICEINSA-N 2 1 331.504 1.897 20 0 EDADMP CC[NH+](C)C[C@@H](O)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000565174863 321173096 /nfs/dbraw/zinc/17/30/96/321173096.db2.gz UIJPRULEYVDEBE-UXHICEINSA-N 2 1 331.504 1.897 20 0 EDADMP C[C@H](CNC[C@H](O)C[N@@H+](C)C1CC1)c1nc(-c2ccccc2)no1 ZINC000567726078 321254688 /nfs/dbraw/zinc/25/46/88/321254688.db2.gz YASKEMIDOSRZGR-CJNGLKHVSA-N 2 1 330.432 1.885 20 0 EDADMP C[C@H](C[NH2+]C[C@H](O)CN(C)C1CC1)c1nc(-c2ccccc2)no1 ZINC000567726078 321254690 /nfs/dbraw/zinc/25/46/90/321254690.db2.gz YASKEMIDOSRZGR-CJNGLKHVSA-N 2 1 330.432 1.885 20 0 EDADMP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1nc(-c2ccccc2)no1 ZINC000567726078 321254691 /nfs/dbraw/zinc/25/46/91/321254691.db2.gz YASKEMIDOSRZGR-CJNGLKHVSA-N 2 1 330.432 1.885 20 0 EDADMP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1nc(-c2ccccc2)no1 ZINC000567726078 321254693 /nfs/dbraw/zinc/25/46/93/321254693.db2.gz YASKEMIDOSRZGR-CJNGLKHVSA-N 2 1 330.432 1.885 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NCCC[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000568087275 321276594 /nfs/dbraw/zinc/27/65/94/321276594.db2.gz YNFMAPTWDFMPNK-RTBURBONSA-N 2 1 344.503 1.624 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)C(C)(C)O)CC2)CC1 ZINC000568230244 321283514 /nfs/dbraw/zinc/28/35/14/321283514.db2.gz UPVLMPYPVCBMHZ-OAHLLOKOSA-N 2 1 339.524 1.801 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCCO3)CC2)CC1 ZINC000570524953 321345283 /nfs/dbraw/zinc/34/52/83/321345283.db2.gz CKXYVFGRINOYCE-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP Cn1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(-c2ccncc2)n1 ZINC000289492687 444158008 /nfs/dbraw/zinc/15/80/08/444158008.db2.gz RUXZZTSMNCIBFE-UHFFFAOYSA-N 2 1 342.491 1.551 20 0 EDADMP CN(CCC[N@@H+](C)CC(=O)NC(=O)Nc1ccccc1)CC[NH+](C)C ZINC000289493008 444158282 /nfs/dbraw/zinc/15/82/82/444158282.db2.gz STLSZLABLPWNSO-UHFFFAOYSA-N 2 1 349.479 1.150 20 0 EDADMP C[C@H]([NH2+]CCCn1cc(CO)nn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289886296 444215391 /nfs/dbraw/zinc/21/53/91/444215391.db2.gz SHOFNCBUDRVTGO-FUHWJXTLSA-N 2 1 343.475 1.661 20 0 EDADMP C[N@@H+](C[C@@H](O)CN1CC[C@@](CO)(Cc2ccc(F)cc2)C1)C1CC1 ZINC000289648369 444185954 /nfs/dbraw/zinc/18/59/54/444185954.db2.gz GCEDIZAZESZDII-RTBURBONSA-N 2 1 336.451 1.508 20 0 EDADMP CN(C[C@@H](O)C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1)C1CC1 ZINC000289648369 444185956 /nfs/dbraw/zinc/18/59/56/444185956.db2.gz GCEDIZAZESZDII-RTBURBONSA-N 2 1 336.451 1.508 20 0 EDADMP CN(C[C@@H](O)C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1)C1CC1 ZINC000289648369 444185958 /nfs/dbraw/zinc/18/59/58/444185958.db2.gz GCEDIZAZESZDII-RTBURBONSA-N 2 1 336.451 1.508 20 0 EDADMP C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000296389104 444224833 /nfs/dbraw/zinc/22/48/33/444224833.db2.gz KWAQCTYTYQRMHK-PBHICJAKSA-N 2 1 333.501 1.915 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)c1cc(N2CCCC[C@@H]2CO)ncn1 ZINC000302889205 444230119 /nfs/dbraw/zinc/23/01/19/444230119.db2.gz NCFQAAAYSFVTIV-JKSUJKDBSA-N 2 1 333.480 1.606 20 0 EDADMP O[C@]1(c2nc(C3CC3)no2)CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000290391953 444275332 /nfs/dbraw/zinc/27/53/32/444275332.db2.gz IVHLOIIAYQGCSK-QGZVFWFLSA-N 2 1 325.372 1.688 20 0 EDADMP O[C@]1(c2nc(C3CC3)no2)CCN(Cc2cccc3nccn32)C1 ZINC000290391953 444275333 /nfs/dbraw/zinc/27/53/33/444275333.db2.gz IVHLOIIAYQGCSK-QGZVFWFLSA-N 2 1 325.372 1.688 20 0 EDADMP CCn1nc(C)c(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1C ZINC000307976448 444288857 /nfs/dbraw/zinc/28/88/57/444288857.db2.gz WDLPGTROXDBYDO-AEFFLSMTSA-N 2 1 347.507 1.600 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000310295644 444291632 /nfs/dbraw/zinc/29/16/32/444291632.db2.gz OUBZMVAQPYXIKE-INIZCTEOSA-N 2 1 332.492 1.307 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000331218584 444447295 /nfs/dbraw/zinc/44/72/95/444447295.db2.gz HOLWGAMIRJBXBX-XJKSGUPXSA-N 2 1 343.468 1.376 20 0 EDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N[C@@H]1CCC[NH2+]CC1 ZINC000579825032 321973963 /nfs/dbraw/zinc/97/39/63/321973963.db2.gz BNCKBFSPLYTMLY-MRXNPFEDSA-N 2 1 346.475 1.637 20 0 EDADMP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1ccc(F)cc1 ZINC000580174816 322018222 /nfs/dbraw/zinc/01/82/22/322018222.db2.gz OVAFGUDMGDEAIR-CVEARBPZSA-N 2 1 333.407 1.465 20 0 EDADMP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1ccc(F)cc1 ZINC000580174816 322018224 /nfs/dbraw/zinc/01/82/24/322018224.db2.gz OVAFGUDMGDEAIR-CVEARBPZSA-N 2 1 333.407 1.465 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000580300423 322032928 /nfs/dbraw/zinc/03/29/28/322032928.db2.gz KTQSHQPDJBIEHW-KCQAQPDRSA-N 2 1 344.450 1.936 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000581478100 322181863 /nfs/dbraw/zinc/18/18/63/322181863.db2.gz DRRTZMXTPCYCEB-NJAFHUGGSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H](CCNC(=O)N1CCOC2(C[NH2+]C2)C1)[N@@H+](C)Cc1ccccc1 ZINC000581478250 322182170 /nfs/dbraw/zinc/18/21/70/322182170.db2.gz ULFPVTMXHDFUQC-MRXNPFEDSA-N 2 1 346.475 1.281 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000581551590 322191781 /nfs/dbraw/zinc/19/17/81/322191781.db2.gz RUFYNMUGWNOOEY-LJQANCHMSA-N 2 1 330.476 1.762 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1nc(C)cc1C ZINC000338081606 444510956 /nfs/dbraw/zinc/51/09/56/444510956.db2.gz CTTPTEVQOOEYLM-KRWDZBQOSA-N 2 1 335.496 1.374 20 0 EDADMP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342134329 444526624 /nfs/dbraw/zinc/52/66/24/444526624.db2.gz PPKZZLUKWDEOCJ-XIRDDKMYSA-N 2 1 344.459 1.386 20 0 EDADMP CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342134329 444526626 /nfs/dbraw/zinc/52/66/26/444526626.db2.gz PPKZZLUKWDEOCJ-XIRDDKMYSA-N 2 1 344.459 1.386 20 0 EDADMP C[C@@H]([NH2+]CCn1nc2ccccn2c1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329403791 444565494 /nfs/dbraw/zinc/56/54/94/444565494.db2.gz CGNWDIDDGAFPIE-HZPDHXFCSA-N 2 1 343.475 1.739 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000338255349 444591498 /nfs/dbraw/zinc/59/14/98/444591498.db2.gz SORWLJLTEBNDCG-LNLFQRSKSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCOC[C@@H](C)C1 ZINC000338255349 444591503 /nfs/dbraw/zinc/59/15/03/444591503.db2.gz SORWLJLTEBNDCG-LNLFQRSKSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOC[C@@H](C)C1 ZINC000338255349 444591507 /nfs/dbraw/zinc/59/15/07/444591507.db2.gz SORWLJLTEBNDCG-LNLFQRSKSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOC[C@@H](C)C1 ZINC000338255349 444591513 /nfs/dbraw/zinc/59/15/13/444591513.db2.gz SORWLJLTEBNDCG-LNLFQRSKSA-N 2 1 345.487 1.734 20 0 EDADMP CN(C)c1ncc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1C ZINC000332972355 444617040 /nfs/dbraw/zinc/61/70/40/444617040.db2.gz ZYHGJHUEFSRNNL-HIFRSBDPSA-N 2 1 334.468 1.112 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1C ZINC000332972355 444617044 /nfs/dbraw/zinc/61/70/44/444617044.db2.gz ZYHGJHUEFSRNNL-HIFRSBDPSA-N 2 1 334.468 1.112 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1C ZINC000332972355 444617046 /nfs/dbraw/zinc/61/70/46/444617046.db2.gz ZYHGJHUEFSRNNL-HIFRSBDPSA-N 2 1 334.468 1.112 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000333414870 444666078 /nfs/dbraw/zinc/66/60/78/444666078.db2.gz RUEXVUORORFGAE-QKPAOTATSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000333414870 444666082 /nfs/dbraw/zinc/66/60/82/444666082.db2.gz RUEXVUORORFGAE-QKPAOTATSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000343968956 444701236 /nfs/dbraw/zinc/70/12/36/444701236.db2.gz BLAQILKWDHOWDU-MAUKXSAKSA-N 2 1 332.492 1.984 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000343968956 444701239 /nfs/dbraw/zinc/70/12/39/444701239.db2.gz BLAQILKWDHOWDU-MAUKXSAKSA-N 2 1 332.492 1.984 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000338459658 444705578 /nfs/dbraw/zinc/70/55/78/444705578.db2.gz MGUHERKPSCFFAI-UHFFFAOYSA-N 2 1 340.512 1.661 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000333917360 444718135 /nfs/dbraw/zinc/71/81/35/444718135.db2.gz NSIASCKRFHVBOC-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000342425608 444686669 /nfs/dbraw/zinc/68/66/69/444686669.db2.gz PHSFEJUFKSNMBM-HNAYVOBHSA-N 2 1 345.487 1.457 20 0 EDADMP CC[NH+]1CCN(CC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CC1 ZINC000344069505 444763775 /nfs/dbraw/zinc/76/37/75/444763775.db2.gz WKKYWAQTSXCULB-UHFFFAOYSA-N 2 1 336.480 1.197 20 0 EDADMP COC(=O)[C@](C)(O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336719754 444796285 /nfs/dbraw/zinc/79/62/85/444796285.db2.gz RTWBHQMOHHFQTK-YQVWRLOYSA-N 2 1 332.444 1.364 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336719754 444796293 /nfs/dbraw/zinc/79/62/93/444796293.db2.gz RTWBHQMOHHFQTK-YQVWRLOYSA-N 2 1 332.444 1.364 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336719754 444796300 /nfs/dbraw/zinc/79/63/00/444796300.db2.gz RTWBHQMOHHFQTK-YQVWRLOYSA-N 2 1 332.444 1.364 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H](C)CN1CCOCC1 ZINC000344151658 444808592 /nfs/dbraw/zinc/80/85/92/444808592.db2.gz TYHBMZZRMQSPBE-GOSISDBHSA-N 2 1 326.529 1.057 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C(C)(C)C)C2)C1 ZINC000344164900 444817147 /nfs/dbraw/zinc/81/71/47/444817147.db2.gz PFODQFSVACADSN-SJORKVTESA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)C2)C1 ZINC000344164900 444817150 /nfs/dbraw/zinc/81/71/50/444817150.db2.gz PFODQFSVACADSN-SJORKVTESA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)C2)C1 ZINC000344164900 444817152 /nfs/dbraw/zinc/81/71/52/444817152.db2.gz PFODQFSVACADSN-SJORKVTESA-N 2 1 339.524 1.827 20 0 EDADMP C[C@@H]1C[C@@H](CO)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000344174544 444822089 /nfs/dbraw/zinc/82/20/89/444822089.db2.gz QVLAFDGKHSNJGG-RYRKJORJSA-N 2 1 333.476 1.498 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCC[N@H+]1C ZINC000344235394 444855547 /nfs/dbraw/zinc/85/55/47/444855547.db2.gz KWWWOJVMPHZJEY-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000342766022 444856407 /nfs/dbraw/zinc/85/64/07/444856407.db2.gz RQVHZVKNVHZJOD-PVAVHDDUSA-N 2 1 347.459 1.436 20 0 EDADMP COCC[NH+]1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000341518078 444872143 /nfs/dbraw/zinc/87/21/43/444872143.db2.gz QHFVMCRJSSGKAN-UHFFFAOYSA-N 2 1 332.492 1.746 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000342943330 444956341 /nfs/dbraw/zinc/95/63/41/444956341.db2.gz PUBMOPHWSKVHRV-RDJZCZTQSA-N 2 1 345.491 1.806 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000337322913 445033044 /nfs/dbraw/zinc/03/30/44/445033044.db2.gz RTUUFGBPTAWNBN-QGZVFWFLSA-N 2 1 343.537 1.054 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000337322913 445033048 /nfs/dbraw/zinc/03/30/48/445033048.db2.gz RTUUFGBPTAWNBN-QGZVFWFLSA-N 2 1 343.537 1.054 20 0 EDADMP Cn1nccc1[C@H]1[C@@H](CNc2[nH+]cnc3[nH]ccc32)CCC[N@@H+]1C ZINC000344484084 445003300 /nfs/dbraw/zinc/00/33/00/445003300.db2.gz AEOMIBDLDAHREA-IUODEOHRSA-N 2 1 325.420 2.186 20 0 EDADMP Cn1nccc1[C@H]1[C@@H](CNc2[nH+]cnc3[nH]ccc32)CCC[N@H+]1C ZINC000344484084 445003301 /nfs/dbraw/zinc/00/33/01/445003301.db2.gz AEOMIBDLDAHREA-IUODEOHRSA-N 2 1 325.420 2.186 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000343097758 445063290 /nfs/dbraw/zinc/06/32/90/445063290.db2.gz OKJRIKPASSNUOX-GJZGRUSLSA-N 2 1 340.512 1.070 20 0 EDADMP O=S1(=O)CCC[C@H](C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)C1 ZINC000341910278 445066938 /nfs/dbraw/zinc/06/69/38/445066938.db2.gz LFGBSINVYMCCSI-INMHGKMJSA-N 2 1 326.506 1.760 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000343105670 445070344 /nfs/dbraw/zinc/07/03/44/445070344.db2.gz HWFNWUPKQSIMJR-NEWSRXKRSA-N 2 1 345.487 1.591 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000343105670 445070346 /nfs/dbraw/zinc/07/03/46/445070346.db2.gz HWFNWUPKQSIMJR-NEWSRXKRSA-N 2 1 345.487 1.591 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000343105670 445070350 /nfs/dbraw/zinc/07/03/50/445070350.db2.gz HWFNWUPKQSIMJR-NEWSRXKRSA-N 2 1 345.487 1.591 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000619176945 450421783 /nfs/dbraw/zinc/42/17/83/450421783.db2.gz QXWHQNROMUVBAP-SFHVURJKSA-N 2 1 338.411 1.776 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000343157053 445102521 /nfs/dbraw/zinc/10/25/21/445102521.db2.gz HXXALQQGNNYYMA-ARFHVFGLSA-N 2 1 340.512 1.070 20 0 EDADMP CCC(CC)(C[NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000337510943 445112543 /nfs/dbraw/zinc/11/25/43/445112543.db2.gz LNKNPLSPHSNLCR-UHFFFAOYSA-N 2 1 347.507 1.475 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc(F)cc1 ZINC000343199639 445129751 /nfs/dbraw/zinc/12/97/51/445129751.db2.gz FQUWJOVEMATHHT-JKSUJKDBSA-N 2 1 339.480 1.982 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)NCCC[NH+]3CCCC3)CC2)CCO1 ZINC000339443481 445143180 /nfs/dbraw/zinc/14/31/80/445143180.db2.gz UHAFQMKJKYGYGW-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000337584874 445151751 /nfs/dbraw/zinc/15/17/51/445151751.db2.gz QZBAYYTZUGXKNN-HKUYNNGSSA-N 2 1 345.487 1.865 20 0 EDADMP C[NH+]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000337603740 445161369 /nfs/dbraw/zinc/16/13/69/445161369.db2.gz OQNYVQSCRGLMTN-UHFFFAOYSA-N 2 1 326.510 1.305 20 0 EDADMP CCn1nc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000346065872 445205679 /nfs/dbraw/zinc/20/56/79/445205679.db2.gz KDLOWWPERUVWHN-XJKSGUPXSA-N 2 1 335.496 1.758 20 0 EDADMP CCn1nc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000346065872 445205680 /nfs/dbraw/zinc/20/56/80/445205680.db2.gz KDLOWWPERUVWHN-XJKSGUPXSA-N 2 1 335.496 1.758 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H](C)C[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000346182827 445207898 /nfs/dbraw/zinc/20/78/98/445207898.db2.gz DXXYGNJBGGBHPH-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)C[NH+]2CCCC2)[N@@H+](C)C1 ZINC000346661141 445222115 /nfs/dbraw/zinc/22/21/15/445222115.db2.gz ONIYUFSCACYJNW-BZUAXINKSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000343559855 445243977 /nfs/dbraw/zinc/24/39/77/445243977.db2.gz PQKQODZMTJBJJP-NEWSRXKRSA-N 2 1 344.503 1.574 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000343559855 445243979 /nfs/dbraw/zinc/24/39/79/445243979.db2.gz PQKQODZMTJBJJP-NEWSRXKRSA-N 2 1 344.503 1.574 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC000351857497 445344973 /nfs/dbraw/zinc/34/49/73/445344973.db2.gz BRCODCJADXDQHM-TZMCWYRMSA-N 2 1 341.402 1.916 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC000351857497 445344974 /nfs/dbraw/zinc/34/49/74/445344974.db2.gz BRCODCJADXDQHM-TZMCWYRMSA-N 2 1 341.402 1.916 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000351858445 445345220 /nfs/dbraw/zinc/34/52/20/445345220.db2.gz ZBMDHAZQJJTBQQ-SOUVJXGZSA-N 2 1 349.475 1.859 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000351858445 445345222 /nfs/dbraw/zinc/34/52/22/445345222.db2.gz ZBMDHAZQJJTBQQ-SOUVJXGZSA-N 2 1 349.475 1.859 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351863923 445347372 /nfs/dbraw/zinc/34/73/72/445347372.db2.gz VRKHWYMBZCOXJZ-WBVHZDCISA-N 2 1 333.476 1.802 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351863923 445347373 /nfs/dbraw/zinc/34/73/73/445347373.db2.gz VRKHWYMBZCOXJZ-WBVHZDCISA-N 2 1 333.476 1.802 20 0 EDADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000362396931 445359863 /nfs/dbraw/zinc/35/98/63/445359863.db2.gz FZIYKFUBKUZLMF-GJZGRUSLSA-N 2 1 336.432 1.429 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000362396931 445359867 /nfs/dbraw/zinc/35/98/67/445359867.db2.gz FZIYKFUBKUZLMF-GJZGRUSLSA-N 2 1 336.432 1.429 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000362396931 445359870 /nfs/dbraw/zinc/35/98/70/445359870.db2.gz FZIYKFUBKUZLMF-GJZGRUSLSA-N 2 1 336.432 1.429 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000362396931 445359875 /nfs/dbraw/zinc/35/98/75/445359875.db2.gz FZIYKFUBKUZLMF-GJZGRUSLSA-N 2 1 336.432 1.429 20 0 EDADMP CC(C)[C@@H](C(=O)NCC1(C)CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356986558 445362731 /nfs/dbraw/zinc/36/27/31/445362731.db2.gz RCZQKZJHYUVJKN-BBWFWOEESA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@@H](C(=O)NCC1(C)CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356986558 445362735 /nfs/dbraw/zinc/36/27/35/445362735.db2.gz RCZQKZJHYUVJKN-BBWFWOEESA-N 2 1 339.524 1.968 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000351923734 445377945 /nfs/dbraw/zinc/37/79/45/445377945.db2.gz ADGWOPVSNAHWJO-HOTGVXAUSA-N 2 1 340.512 1.326 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000359763320 445414167 /nfs/dbraw/zinc/41/41/67/445414167.db2.gz CDHRKTTVFVTVBH-INMHGKMJSA-N 2 1 348.443 1.571 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000359763320 445414173 /nfs/dbraw/zinc/41/41/73/445414173.db2.gz CDHRKTTVFVTVBH-INMHGKMJSA-N 2 1 348.443 1.571 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000359763320 445414180 /nfs/dbraw/zinc/41/41/80/445414180.db2.gz CDHRKTTVFVTVBH-INMHGKMJSA-N 2 1 348.443 1.571 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)CC[N@H+]2CCc3ccccc3C2)n1 ZINC000348912347 445438422 /nfs/dbraw/zinc/43/84/22/445438422.db2.gz OPNUNWUBTBTCPB-UHFFFAOYSA-N 2 1 341.459 1.832 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)C1CC[NH+](C)CC1 ZINC000348930724 445444634 /nfs/dbraw/zinc/44/46/34/445444634.db2.gz LNWDPHYMWJTYEJ-SJLPKXTDSA-N 2 1 347.507 1.603 20 0 EDADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000352126379 445509231 /nfs/dbraw/zinc/50/92/31/445509231.db2.gz SHDOKXJWQPYRIU-ICSRJNTNSA-N 2 1 347.503 1.718 20 0 EDADMP C[C@@H](C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C1C[NH2+]C1 ZINC000357260400 445513369 /nfs/dbraw/zinc/51/33/69/445513369.db2.gz VWPNKQDVZNMKNT-OWCLPIDISA-N 2 1 337.508 1.580 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)COc3ccccc3O)C2)CC1 ZINC000362791083 445551041 /nfs/dbraw/zinc/55/10/41/445551041.db2.gz FFPLTSKJLHQGMG-CQSZACIVSA-N 2 1 333.432 1.056 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000362816429 445562945 /nfs/dbraw/zinc/56/29/45/445562945.db2.gz BLJFWLVHBJUZOS-IEBWSBKVSA-N 2 1 344.503 1.465 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000362816429 445562946 /nfs/dbraw/zinc/56/29/46/445562946.db2.gz BLJFWLVHBJUZOS-IEBWSBKVSA-N 2 1 344.503 1.465 20 0 EDADMP COCC[NH+](CCOC)C1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000353020503 445571957 /nfs/dbraw/zinc/57/19/57/445571957.db2.gz BDMXEXOIFQPEHD-LJQANCHMSA-N 2 1 342.524 1.987 20 0 EDADMP CC[C@H](C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)[NH+](CC)CC ZINC000360134314 445587171 /nfs/dbraw/zinc/58/71/71/445587171.db2.gz GDDCXWOLVMOXEH-NVXWUHKLSA-N 2 1 325.497 1.819 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@H]2CC)[C@H](C)C1 ZINC000353458247 445610402 /nfs/dbraw/zinc/61/04/02/445610402.db2.gz IUIPLBINULIKGP-NCOADZHNSA-N 2 1 325.497 1.628 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353462438 445612914 /nfs/dbraw/zinc/61/29/14/445612914.db2.gz SLHRXIOZGXXMQT-SFHVURJKSA-N 2 1 336.524 1.345 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353462438 445612916 /nfs/dbraw/zinc/61/29/16/445612916.db2.gz SLHRXIOZGXXMQT-SFHVURJKSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000349612257 445622286 /nfs/dbraw/zinc/62/22/86/445622286.db2.gz AAYCEXNVMLOGDE-CVEARBPZSA-N 2 1 348.491 1.345 20 0 EDADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504838 445623863 /nfs/dbraw/zinc/62/38/63/445623863.db2.gz ITLWWARFOMCZMM-HUUCEWRRSA-N 2 1 336.480 1.466 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000349642159 445631651 /nfs/dbraw/zinc/63/16/51/445631651.db2.gz FOQKBGDWZAJMAL-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000349642159 445631654 /nfs/dbraw/zinc/63/16/54/445631654.db2.gz FOQKBGDWZAJMAL-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000362878417 445593499 /nfs/dbraw/zinc/59/34/99/445593499.db2.gz VWTFWVHTTHVRKU-KBXCAEBGSA-N 2 1 331.460 1.780 20 0 EDADMP COc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1F ZINC000353670038 445700913 /nfs/dbraw/zinc/70/09/13/445700913.db2.gz FXYWZXHHGHRZNM-UHFFFAOYSA-N 2 1 337.439 1.916 20 0 EDADMP CC(C)OCC[C@@H](O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000349888493 445713439 /nfs/dbraw/zinc/71/34/39/445713439.db2.gz INXODHCKCZZOLA-CEXWTWQISA-N 2 1 341.540 1.653 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000349892839 445714685 /nfs/dbraw/zinc/71/46/85/445714685.db2.gz KNJUGQOICGDIPR-IYBDPMFKSA-N 2 1 340.512 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000349910932 445718859 /nfs/dbraw/zinc/71/88/59/445718859.db2.gz MYXHQHWRFUKQOI-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000358700191 445725973 /nfs/dbraw/zinc/72/59/73/445725973.db2.gz YZTWLUSZTVAUGS-NUJGCVRESA-N 2 1 340.512 1.110 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000349941898 445728602 /nfs/dbraw/zinc/72/86/02/445728602.db2.gz ZRQGCTMRWUZQSX-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000363229474 445732622 /nfs/dbraw/zinc/73/26/22/445732622.db2.gz DWZCMVARUGWIHD-QGZVFWFLSA-N 2 1 337.508 1.870 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000358710508 445734294 /nfs/dbraw/zinc/73/42/94/445734294.db2.gz SLBJPJWYOTZSEU-HNNXBMFYSA-N 2 1 328.501 1.110 20 0 EDADMP COC(=O)c1coc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000350072202 445761932 /nfs/dbraw/zinc/76/19/32/445761932.db2.gz IIDPGDAHUCKLJI-LJQANCHMSA-N 2 1 344.411 1.793 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000363312411 445762150 /nfs/dbraw/zinc/76/21/50/445762150.db2.gz KVJBYPVVLIXZCC-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000350167903 445784451 /nfs/dbraw/zinc/78/44/51/445784451.db2.gz XPRBFYCDLOVUCM-QGZVFWFLSA-N 2 1 348.535 1.393 20 0 EDADMP CC1CC[NH+](CC2CC[NH+](CC(=O)NC3CCOCC3)CC2)CC1 ZINC000363464332 445814923 /nfs/dbraw/zinc/81/49/23/445814923.db2.gz BPADONVSTOHSNP-UHFFFAOYSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000356531477 445844835 /nfs/dbraw/zinc/84/48/35/445844835.db2.gz LPOGJDPSLGWJLC-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+](CCC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1)CC(C)C ZINC000359013986 445887832 /nfs/dbraw/zinc/88/78/32/445887832.db2.gz RYJLQCYDHWXNII-SFHVURJKSA-N 2 1 339.524 1.924 20 0 EDADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1)CC(C)C ZINC000359013986 445887836 /nfs/dbraw/zinc/88/78/36/445887836.db2.gz RYJLQCYDHWXNII-SFHVURJKSA-N 2 1 339.524 1.924 20 0 EDADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1)CC(C)C ZINC000359013986 445887839 /nfs/dbraw/zinc/88/78/39/445887839.db2.gz RYJLQCYDHWXNII-SFHVURJKSA-N 2 1 339.524 1.924 20 0 EDADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1)CC(C)C ZINC000359013986 445887843 /nfs/dbraw/zinc/88/78/43/445887843.db2.gz RYJLQCYDHWXNII-SFHVURJKSA-N 2 1 339.524 1.924 20 0 EDADMP CC1CC[NH+](CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000363556309 445857399 /nfs/dbraw/zinc/85/73/99/445857399.db2.gz ATQXHOIQXMSRGR-RCCFBDPRSA-N 2 1 334.508 1.844 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[NH+](CCCOC)CC1 ZINC000363556822 445857904 /nfs/dbraw/zinc/85/79/04/445857904.db2.gz FJDWRFQUUNSLGT-INIZCTEOSA-N 2 1 328.501 1.471 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[N@H+](CCCOC)CC1 ZINC000363556822 445857906 /nfs/dbraw/zinc/85/79/06/445857906.db2.gz FJDWRFQUUNSLGT-INIZCTEOSA-N 2 1 328.501 1.471 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000363556822 445857907 /nfs/dbraw/zinc/85/79/07/445857907.db2.gz FJDWRFQUUNSLGT-INIZCTEOSA-N 2 1 328.501 1.471 20 0 EDADMP CCn1ccnc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000582030512 325756391 /nfs/dbraw/zinc/75/63/91/325756391.db2.gz UTOVECPFKZELIL-UHFFFAOYSA-N 2 1 347.507 1.717 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000350746596 445895496 /nfs/dbraw/zinc/89/54/96/445895496.db2.gz HOYFVOPGYKGHBX-IAGOWNOFSA-N 2 1 347.507 1.446 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000350750554 445897194 /nfs/dbraw/zinc/89/71/94/445897194.db2.gz ZETTVSRHNSEDIC-AEFFLSMTSA-N 2 1 336.524 1.203 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000350750554 445897198 /nfs/dbraw/zinc/89/71/98/445897198.db2.gz ZETTVSRHNSEDIC-AEFFLSMTSA-N 2 1 336.524 1.203 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000364380724 445916565 /nfs/dbraw/zinc/91/65/65/445916565.db2.gz UDJOJVHCFZPMSV-WKULXVSPSA-N 2 1 334.508 1.841 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000364380724 445916567 /nfs/dbraw/zinc/91/65/67/445916567.db2.gz UDJOJVHCFZPMSV-WKULXVSPSA-N 2 1 334.508 1.841 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000364380724 445916571 /nfs/dbraw/zinc/91/65/71/445916571.db2.gz UDJOJVHCFZPMSV-WKULXVSPSA-N 2 1 334.508 1.841 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000354224704 446021368 /nfs/dbraw/zinc/02/13/68/446021368.db2.gz OSZODRDVIDNDGK-YJBOKZPZSA-N 2 1 336.524 1.534 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000356797351 446030206 /nfs/dbraw/zinc/03/02/06/446030206.db2.gz YXTHGNRPGYOQLA-QGZVFWFLSA-N 2 1 346.519 1.893 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000356797351 446030212 /nfs/dbraw/zinc/03/02/12/446030212.db2.gz YXTHGNRPGYOQLA-QGZVFWFLSA-N 2 1 346.519 1.893 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000356797351 446030217 /nfs/dbraw/zinc/03/02/17/446030217.db2.gz YXTHGNRPGYOQLA-QGZVFWFLSA-N 2 1 346.519 1.893 20 0 EDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000361888789 446042700 /nfs/dbraw/zinc/04/27/00/446042700.db2.gz RFJRCBLXYAOVRG-OJAHFUOMSA-N 2 1 331.504 1.799 20 0 EDADMP CC[NH+]1C[C@H](C)[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000361888789 446042709 /nfs/dbraw/zinc/04/27/09/446042709.db2.gz RFJRCBLXYAOVRG-OJAHFUOMSA-N 2 1 331.504 1.799 20 0 EDADMP CC[NH+]1C[C@H](C)[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000361888789 446042718 /nfs/dbraw/zinc/04/27/18/446042718.db2.gz RFJRCBLXYAOVRG-OJAHFUOMSA-N 2 1 331.504 1.799 20 0 EDADMP OCC1([NH2+]CC2CC2)CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000583384425 326063081 /nfs/dbraw/zinc/06/30/81/326063081.db2.gz SXJKTWVSXXDTHF-IBGZPJMESA-N 2 1 332.488 1.807 20 0 EDADMP C[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)[NH+]1CC(C)C1 ZINC000583390129 326064523 /nfs/dbraw/zinc/06/45/23/326064523.db2.gz GKNHDABFXVQTSN-KBAYOESNSA-N 2 1 331.460 1.078 20 0 EDADMP C[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)[NH+]1CC(C)C1 ZINC000583390129 326064525 /nfs/dbraw/zinc/06/45/25/326064525.db2.gz GKNHDABFXVQTSN-KBAYOESNSA-N 2 1 331.460 1.078 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583742707 326129653 /nfs/dbraw/zinc/12/96/53/326129653.db2.gz UYAQQYLVWNFZMR-KBAYOESNSA-N 2 1 330.476 1.806 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000583807564 326143634 /nfs/dbraw/zinc/14/36/34/326143634.db2.gz QPCWQZQUOHGOPP-SJLPKXTDSA-N 2 1 334.460 1.950 20 0 EDADMP COCC[NH+]1CCC([NH2+]C2CCN(c3nnc(C)s3)CC2)CC1 ZINC000373283137 446141895 /nfs/dbraw/zinc/14/18/95/446141895.db2.gz FOHMLNZOZOJHEH-UHFFFAOYSA-N 2 1 339.509 1.516 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000356895059 446103295 /nfs/dbraw/zinc/10/32/95/446103295.db2.gz YKSLBWDZIKGJSK-IAGOWNOFSA-N 2 1 345.491 1.145 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000359280171 446115852 /nfs/dbraw/zinc/11/58/52/446115852.db2.gz WPRKSUPWQUOFNF-OWCLPIDISA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000359280171 446115859 /nfs/dbraw/zinc/11/58/59/446115859.db2.gz WPRKSUPWQUOFNF-OWCLPIDISA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000359280171 446115864 /nfs/dbraw/zinc/11/58/64/446115864.db2.gz WPRKSUPWQUOFNF-OWCLPIDISA-N 2 1 340.512 1.070 20 0 EDADMP C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000369439678 446122268 /nfs/dbraw/zinc/12/22/68/446122268.db2.gz WQQGTYPIAVTLCI-NXHRZFHOSA-N 2 1 330.476 1.998 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000366279402 446123897 /nfs/dbraw/zinc/12/38/97/446123897.db2.gz FLOKRKNGPBILEI-LJQANCHMSA-N 2 1 343.471 1.842 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC000354345746 446130149 /nfs/dbraw/zinc/13/01/49/446130149.db2.gz DIPKNOZQNVIJFH-QZTJIDSGSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000354379849 446161323 /nfs/dbraw/zinc/16/13/23/446161323.db2.gz GDHPVFGYZOJSLG-IBGZPJMESA-N 2 1 326.444 2.451 20 0 EDADMP Cc1nc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000354379849 446161327 /nfs/dbraw/zinc/16/13/27/446161327.db2.gz GDHPVFGYZOJSLG-IBGZPJMESA-N 2 1 326.444 2.451 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCOCC2)CC[N@H+]1C ZINC000373369878 446185440 /nfs/dbraw/zinc/18/54/40/446185440.db2.gz PHPKMRFAEFGFOG-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369662659 446143009 /nfs/dbraw/zinc/14/30/09/446143009.db2.gz HUQSCVIWMSZYPM-OAHLLOKOSA-N 2 1 348.495 2.146 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000359318469 446146930 /nfs/dbraw/zinc/14/69/30/446146930.db2.gz NRUIKPYCGUCFTJ-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[C@H]1c1cccc(Cl)c1 ZINC000365333929 446152954 /nfs/dbraw/zinc/15/29/54/446152954.db2.gz ZCRSDJHLCJERTE-SLBVQIDZSA-N 2 1 337.851 1.172 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC3(CCC3)C2)C1 ZINC000373404649 446204085 /nfs/dbraw/zinc/20/40/85/446204085.db2.gz LUDNVJIDIAOYFO-KRWDZBQOSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC3(CCC3)C2)C1 ZINC000373404649 446204095 /nfs/dbraw/zinc/20/40/95/446204095.db2.gz LUDNVJIDIAOYFO-KRWDZBQOSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC3(CCC3)C2)C1 ZINC000373404649 446204102 /nfs/dbraw/zinc/20/41/02/446204102.db2.gz LUDNVJIDIAOYFO-KRWDZBQOSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1ccc(N2CCC[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)C2)[nH+]c1 ZINC000365534954 446244848 /nfs/dbraw/zinc/24/48/48/446244848.db2.gz HOXDNCOBXDFCLR-YJBOKZPZSA-N 2 1 334.464 1.035 20 0 EDADMP c1nc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc(N2CCOCC2)n1 ZINC000365470612 446222625 /nfs/dbraw/zinc/22/26/25/446222625.db2.gz ITBOZAYCNCAMLZ-HRCADAONSA-N 2 1 329.448 1.234 20 0 EDADMP CCOCC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000365636251 446282903 /nfs/dbraw/zinc/28/29/03/446282903.db2.gz RJEYINCIVAONHG-ZIFCJYIRSA-N 2 1 342.524 1.985 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCCN3CCSCC3)CC[C@@H]21 ZINC000362325312 446320330 /nfs/dbraw/zinc/32/03/30/446320330.db2.gz RQWVTEPXTKXLOU-CABCVRRESA-N 2 1 326.510 1.161 20 0 EDADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCSCC3)CC[C@@H]21 ZINC000362325312 446320334 /nfs/dbraw/zinc/32/03/34/446320334.db2.gz RQWVTEPXTKXLOU-CABCVRRESA-N 2 1 326.510 1.161 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCSCC3)CC[C@@H]21 ZINC000362325312 446320340 /nfs/dbraw/zinc/32/03/40/446320340.db2.gz RQWVTEPXTKXLOU-CABCVRRESA-N 2 1 326.510 1.161 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[NH+](C)CC1 ZINC000366722098 446323498 /nfs/dbraw/zinc/32/34/98/446323498.db2.gz JZZGLOMBEYKHCK-WMZOPIPTSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CC[NH+](C)CC1 ZINC000366722098 446323503 /nfs/dbraw/zinc/32/35/03/446323503.db2.gz JZZGLOMBEYKHCK-WMZOPIPTSA-N 2 1 336.524 1.536 20 0 EDADMP COCCCN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000362345654 446328081 /nfs/dbraw/zinc/32/80/81/446328081.db2.gz OAHKXZXLSXBLEZ-MRXNPFEDSA-N 2 1 343.537 1.383 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)N2CCC(c3ccccn3)CC2)CC1 ZINC000366798626 446357316 /nfs/dbraw/zinc/35/73/16/446357316.db2.gz WYHHVVNENBVQKD-MRXNPFEDSA-N 2 1 330.476 1.814 20 0 EDADMP CC1(C)CN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000417510621 446357795 /nfs/dbraw/zinc/35/77/95/446357795.db2.gz XLYGDFFHEPVOLB-SFHVURJKSA-N 2 1 344.503 1.944 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000370612677 446358066 /nfs/dbraw/zinc/35/80/66/446358066.db2.gz PPFQYMBUXGOORP-INIZCTEOSA-N 2 1 330.432 1.467 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417511378 446358030 /nfs/dbraw/zinc/35/80/30/446358030.db2.gz YXYGDAUOCDMIEH-CEXWTWQISA-N 2 1 344.503 1.978 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417510613 446358288 /nfs/dbraw/zinc/35/82/88/446358288.db2.gz XKSWXVJIJWIVPE-RTBURBONSA-N 2 1 344.503 1.944 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417648040 446368667 /nfs/dbraw/zinc/36/86/67/446368667.db2.gz GTHGTDYLKBFPLA-KURKYZTESA-N 2 1 328.460 1.654 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)[C@H](C)C1 ZINC000417673676 446369754 /nfs/dbraw/zinc/36/97/54/446369754.db2.gz XEPFXQJBJQDFOH-QZWWFDLISA-N 2 1 340.512 1.502 20 0 EDADMP CNC(=O)NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370650486 446373741 /nfs/dbraw/zinc/37/37/41/446373741.db2.gz MCIBTKKEXXCETP-UHFFFAOYSA-N 2 1 344.459 1.430 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000365891238 446390817 /nfs/dbraw/zinc/39/08/17/446390817.db2.gz QPSYXJYKWSEFGA-NXHRZFHOSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cnc([C@@H]2CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)s1 ZINC000374791589 446394580 /nfs/dbraw/zinc/39/45/80/446394580.db2.gz FRRJLCYQQPGTSX-OAHLLOKOSA-N 2 1 336.505 1.795 20 0 EDADMP Cc1cnc([C@@H]2CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)s1 ZINC000374791589 446394585 /nfs/dbraw/zinc/39/45/85/446394585.db2.gz FRRJLCYQQPGTSX-OAHLLOKOSA-N 2 1 336.505 1.795 20 0 EDADMP CO[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)[C@H](C[NH3+])C1 ZINC000417946021 446394730 /nfs/dbraw/zinc/39/47/30/446394730.db2.gz YLWJGUSKOWMVIE-YESZJQIVSA-N 2 1 340.512 1.645 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)CCC(F)(F)F ZINC000418082978 446434356 /nfs/dbraw/zinc/43/43/56/446434356.db2.gz YMLJGDOQBWZCFS-OLZOCXBDSA-N 2 1 338.418 1.887 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CN1c1ccccc1F ZINC000423141172 446437855 /nfs/dbraw/zinc/43/78/55/446437855.db2.gz OIBREEQNXYRTOC-XOSAIJSUSA-N 2 1 347.434 1.678 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000418138612 446442353 /nfs/dbraw/zinc/44/23/53/446442353.db2.gz JJKJTJURKLUGGE-MSOLQXFVSA-N 2 1 330.476 1.934 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C2)CC1 ZINC000366907170 446407211 /nfs/dbraw/zinc/40/72/11/446407211.db2.gz AXDWNMJCRIFGJY-ROUUACIJSA-N 2 1 349.519 1.964 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417985505 446407735 /nfs/dbraw/zinc/40/77/35/446407735.db2.gz FKVMWLSSBFTDCU-VVLHAWIVSA-N 2 1 334.508 1.890 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]CC2(N)CCCCCC2)CC[NH2+]CC1 ZINC000423197900 446451673 /nfs/dbraw/zinc/45/16/73/446451673.db2.gz BWFZGEIQISVZDM-HNNXBMFYSA-N 2 1 325.497 1.949 20 0 EDADMP COC(=O)c1cc2cc(C[N@H+](C)CC(=O)N3CC[NH2+]CC3)ccc2o1 ZINC000420287977 446452106 /nfs/dbraw/zinc/45/21/06/446452106.db2.gz GWIJUBHJAXOPQX-UHFFFAOYSA-N 2 1 345.399 1.083 20 0 EDADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370763342 446422087 /nfs/dbraw/zinc/42/20/87/446422087.db2.gz JHHUGOAREGFSKM-QUCCMNQESA-N 2 1 343.471 1.490 20 0 EDADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370763342 446422089 /nfs/dbraw/zinc/42/20/89/446422089.db2.gz JHHUGOAREGFSKM-QUCCMNQESA-N 2 1 343.471 1.490 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000376312388 446424027 /nfs/dbraw/zinc/42/40/27/446424027.db2.gz UKXWQIJZBHBJDZ-UHFFFAOYSA-N 2 1 333.480 1.535 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCS(=O)(=O)N(C)C)C1 ZINC000367013547 446461533 /nfs/dbraw/zinc/46/15/33/446461533.db2.gz AKJUWYFDWLJJCY-JKSUJKDBSA-N 2 1 331.526 1.464 20 0 EDADMP COC(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000420301996 446463893 /nfs/dbraw/zinc/46/38/93/446463893.db2.gz WDENDZWSBNKTHG-CYBMUJFWSA-N 2 1 333.432 1.779 20 0 EDADMP CCCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420308449 446472095 /nfs/dbraw/zinc/47/20/95/446472095.db2.gz SGHNKZSBUOMHGU-BZSNNMDCSA-N 2 1 333.476 1.298 20 0 EDADMP CCCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420308449 446472099 /nfs/dbraw/zinc/47/20/99/446472099.db2.gz SGHNKZSBUOMHGU-BZSNNMDCSA-N 2 1 333.476 1.298 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)CC[S@@](C)=O)CC2)CC1 ZINC000367028176 446474983 /nfs/dbraw/zinc/47/49/83/446474983.db2.gz IHIHWXDFQLOZRX-HSZRJFAPSA-N 2 1 343.537 1.068 20 0 EDADMP [NH3+]CCCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000423300714 446477473 /nfs/dbraw/zinc/47/74/73/446477473.db2.gz FALMQJXPUILTGA-MRXNPFEDSA-N 2 1 342.447 1.021 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCN(Cc1ccccc1)S(C)(=O)=O ZINC000420320197 446485705 /nfs/dbraw/zinc/48/57/05/446485705.db2.gz PWDYBAVYWCKVMK-HOCLYGCPSA-N 2 1 325.478 1.117 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCN(Cc1ccccc1)S(C)(=O)=O ZINC000420320197 446485712 /nfs/dbraw/zinc/48/57/12/446485712.db2.gz PWDYBAVYWCKVMK-HOCLYGCPSA-N 2 1 325.478 1.117 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000423324925 446487357 /nfs/dbraw/zinc/48/73/57/446487357.db2.gz LCKGHELUZAKLGQ-HBFSDRIKSA-N 2 1 327.472 1.938 20 0 EDADMP COc1cccc(NC(=O)CC[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420326698 446493759 /nfs/dbraw/zinc/49/37/59/446493759.db2.gz KJZWLLHUIOFLBJ-OAHLLOKOSA-N 2 1 347.459 1.711 20 0 EDADMP Cc1cc(C)cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420328010 446495493 /nfs/dbraw/zinc/49/54/93/446495493.db2.gz MDQKMAFMXZCPST-INIZCTEOSA-N 2 1 331.460 1.929 20 0 EDADMP Cc1cc(C)cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420328010 446495497 /nfs/dbraw/zinc/49/54/97/446495497.db2.gz MDQKMAFMXZCPST-INIZCTEOSA-N 2 1 331.460 1.929 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[NH2+][C@H](C)C2)CC1 ZINC000420336208 446506082 /nfs/dbraw/zinc/50/60/82/446506082.db2.gz LRRSUAOYVMLVAJ-GOSISDBHSA-N 2 1 344.503 1.323 20 0 EDADMP COC(=O)c1ccccc1OCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420335430 446506796 /nfs/dbraw/zinc/50/67/96/446506796.db2.gz UXMMYUBYKGTZFA-OAHLLOKOSA-N 2 1 348.443 1.539 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000418349479 446508372 /nfs/dbraw/zinc/50/83/72/446508372.db2.gz SDABEBPRFLZQCQ-MJGOQNOKSA-N 2 1 344.503 1.944 20 0 EDADMP CC[C@@H]1CN(C(=O)c2ccccc2CC[NH2+]C)CC[N@H+]1C[C@H](C)O ZINC000423383528 446510793 /nfs/dbraw/zinc/51/07/93/446510793.db2.gz JMHLFAAMQWPGJJ-DOTOQJQBSA-N 2 1 333.476 1.366 20 0 EDADMP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420340294 446511805 /nfs/dbraw/zinc/51/18/05/446511805.db2.gz ZZAOXASCGRVGQS-NVXWUHKLSA-N 2 1 337.508 1.759 20 0 EDADMP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420340294 446511809 /nfs/dbraw/zinc/51/18/09/446511809.db2.gz ZZAOXASCGRVGQS-NVXWUHKLSA-N 2 1 337.508 1.759 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423398171 446516545 /nfs/dbraw/zinc/51/65/45/446516545.db2.gz UCMSTHPNNRBBIM-ZJPYXAASSA-N 2 1 336.524 1.392 20 0 EDADMP C[NH2+]CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000418325713 446498290 /nfs/dbraw/zinc/49/82/90/446498290.db2.gz JYDZWRKUZQSPRX-IRXDYDNUSA-N 2 1 339.528 1.184 20 0 EDADMP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423527846 446562985 /nfs/dbraw/zinc/56/29/85/446562985.db2.gz WCNLRDBMDRIXMA-DOIPELPJSA-N 3 1 342.531 1.780 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000376479325 446520715 /nfs/dbraw/zinc/52/07/15/446520715.db2.gz SLTPYOSPSFUKTH-MRXNPFEDSA-N 2 1 334.508 1.146 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000376479325 446520722 /nfs/dbraw/zinc/52/07/22/446520722.db2.gz SLTPYOSPSFUKTH-MRXNPFEDSA-N 2 1 334.508 1.146 20 0 EDADMP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420346699 446521099 /nfs/dbraw/zinc/52/10/99/446521099.db2.gz XFOPVYYHIVVCKA-GASCZTMLSA-N 2 1 347.459 1.922 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420346773 446521673 /nfs/dbraw/zinc/52/16/73/446521673.db2.gz DNTZRJKXZVZURN-XYJFISCASA-N 2 1 330.476 1.232 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418380707 446522333 /nfs/dbraw/zinc/52/23/33/446522333.db2.gz LPMIHRIUAHPKIP-QGZVFWFLSA-N 2 1 340.512 1.382 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351706 446529253 /nfs/dbraw/zinc/52/92/53/446529253.db2.gz AFJZSUJZGNZOBD-IBGZPJMESA-N 2 1 327.428 1.748 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351706 446529259 /nfs/dbraw/zinc/52/92/59/446529259.db2.gz AFJZSUJZGNZOBD-IBGZPJMESA-N 2 1 327.428 1.748 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]1CC ZINC000418409920 446532419 /nfs/dbraw/zinc/53/24/19/446532419.db2.gz OCQZNRAPJAFOFY-OWCLPIDISA-N 2 1 326.485 1.256 20 0 EDADMP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000420363231 446543178 /nfs/dbraw/zinc/54/31/78/446543178.db2.gz BMFNEDNNWOVNOW-KRWDZBQOSA-N 2 1 343.537 1.703 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[NH2+][C@](C)(C(N)=O)c2ccccc2)cc1 ZINC000420362654 446543369 /nfs/dbraw/zinc/54/33/69/446543369.db2.gz BANSVELERWBFNG-BEFAXECRSA-N 2 1 327.428 1.728 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418500516 446567958 /nfs/dbraw/zinc/56/79/58/446567958.db2.gz PXTGBBLDMJQCIH-SJLPKXTDSA-N 2 1 330.476 1.887 20 0 EDADMP CCC[NH2+]CCNC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000418465892 446553862 /nfs/dbraw/zinc/55/38/62/446553862.db2.gz DCMUEKPQYCMZET-UHFFFAOYSA-N 2 1 348.491 1.912 20 0 EDADMP C[C@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C[NH+]1CCCC1 ZINC000433334855 446555868 /nfs/dbraw/zinc/55/58/68/446555868.db2.gz NAJLZOHOJFGDNZ-IAGOWNOFSA-N 2 1 340.512 1.518 20 0 EDADMP CNS(=O)(=O)c1ccc([C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000423504679 446556119 /nfs/dbraw/zinc/55/61/19/446556119.db2.gz GEDKSBHFBSUCSD-XJKCOSOUSA-N 2 1 325.478 1.572 20 0 EDADMP O=C(NCCC1=CC[NH2+]CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000418604596 446611872 /nfs/dbraw/zinc/61/18/72/446611872.db2.gz RLWQLRNQQMDSNP-UHFFFAOYSA-N 2 1 328.460 1.824 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCO1 ZINC000423544284 446569857 /nfs/dbraw/zinc/56/98/57/446569857.db2.gz WMSVNAUUPOFMDA-NVXWUHKLSA-N 2 1 346.475 1.679 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420404993 446579184 /nfs/dbraw/zinc/57/91/84/446579184.db2.gz MPHLCHKRILVKLW-BFHYXJOUSA-N 2 1 339.430 1.929 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420404993 446579191 /nfs/dbraw/zinc/57/91/91/446579191.db2.gz MPHLCHKRILVKLW-BFHYXJOUSA-N 2 1 339.430 1.929 20 0 EDADMP Cn1ccnc1[C@@](O)(C[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000367756058 446585324 /nfs/dbraw/zinc/58/53/24/446585324.db2.gz RMHGUUZTJWGBML-COMQUAJESA-N 2 1 346.397 1.632 20 0 EDADMP Cn1ccnc1[C@@](O)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000367756058 446585329 /nfs/dbraw/zinc/58/53/29/446585329.db2.gz RMHGUUZTJWGBML-COMQUAJESA-N 2 1 346.397 1.632 20 0 EDADMP CN(C(=O)NCC(F)(F)C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418540792 446586574 /nfs/dbraw/zinc/58/65/74/446586574.db2.gz PERCNECJDODOAX-CQSZACIVSA-N 2 1 326.391 1.496 20 0 EDADMP CN(C(=O)NCC(F)(F)C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418540792 446586583 /nfs/dbraw/zinc/58/65/83/446586583.db2.gz PERCNECJDODOAX-CQSZACIVSA-N 2 1 326.391 1.496 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434356596 446639487 /nfs/dbraw/zinc/63/94/87/446639487.db2.gz XGODSZOZRFRGDK-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cn2cc[nH+]c12 ZINC000411669953 446642322 /nfs/dbraw/zinc/64/23/22/446642322.db2.gz JXKHAKRJVZNGLV-AWEZNQCLSA-N 2 1 343.431 1.429 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cn2cc[nH+]c12 ZINC000411669953 446642328 /nfs/dbraw/zinc/64/23/28/446642328.db2.gz JXKHAKRJVZNGLV-AWEZNQCLSA-N 2 1 343.431 1.429 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000418683214 446647188 /nfs/dbraw/zinc/64/71/88/446647188.db2.gz JOJZFUNBEHVKFA-ZWKOTPCHSA-N 2 1 330.476 1.868 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])CC(F)F)CC2)cc1 ZINC000423730068 446664962 /nfs/dbraw/zinc/66/49/62/446664962.db2.gz NEYGTLFFWSAWKZ-HNNXBMFYSA-N 2 1 341.402 1.712 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])CC(F)F)CC2)cc1 ZINC000423730068 446664970 /nfs/dbraw/zinc/66/49/70/446664970.db2.gz NEYGTLFFWSAWKZ-HNNXBMFYSA-N 2 1 341.402 1.712 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)cn1 ZINC000423758905 446687361 /nfs/dbraw/zinc/68/73/61/446687361.db2.gz OBMGGQKWCCSVJI-IEBWSBKVSA-N 2 1 345.491 1.327 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)cn1 ZINC000423758905 446687362 /nfs/dbraw/zinc/68/73/62/446687362.db2.gz OBMGGQKWCCSVJI-IEBWSBKVSA-N 2 1 345.491 1.327 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C[C@H](C)O1 ZINC000423760773 446689703 /nfs/dbraw/zinc/68/97/03/446689703.db2.gz KMLZGGIMMVUYQB-FUHIMQAGSA-N 2 1 345.487 1.485 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C[C@H](C)O1 ZINC000423760773 446689706 /nfs/dbraw/zinc/68/97/06/446689706.db2.gz KMLZGGIMMVUYQB-FUHIMQAGSA-N 2 1 345.487 1.485 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375316377 446715023 /nfs/dbraw/zinc/71/50/23/446715023.db2.gz XPYOYFIICCRCMY-BPQIPLTHSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375316377 446715028 /nfs/dbraw/zinc/71/50/28/446715028.db2.gz XPYOYFIICCRCMY-BPQIPLTHSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000375316377 446715036 /nfs/dbraw/zinc/71/50/36/446715036.db2.gz XPYOYFIICCRCMY-BPQIPLTHSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000375316377 446715042 /nfs/dbraw/zinc/71/50/42/446715042.db2.gz XPYOYFIICCRCMY-BPQIPLTHSA-N 2 1 343.471 1.222 20 0 EDADMP CN([C@H](C(N)=O)c1ccc(F)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371258703 446720219 /nfs/dbraw/zinc/72/02/19/446720219.db2.gz PLCFTFYXYDBBJB-MSOLQXFVSA-N 2 1 348.466 1.452 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@]2(CCOC)CC[NH2+]C2)CC1 ZINC000376793745 446723103 /nfs/dbraw/zinc/72/31/03/446723103.db2.gz ISUYBEDKZFTSEP-LJQANCHMSA-N 2 1 339.524 1.973 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)CC1 ZINC000423851172 446730165 /nfs/dbraw/zinc/73/01/65/446730165.db2.gz UMJSDAVVFOZBSI-UHFFFAOYSA-N 2 1 344.459 1.418 20 0 EDADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000376806156 446731279 /nfs/dbraw/zinc/73/12/79/446731279.db2.gz ZZOOWHCDGANXSO-SFHVURJKSA-N 2 1 330.476 1.857 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)[C@H](C)C1 ZINC000423862490 446734997 /nfs/dbraw/zinc/73/49/97/446734997.db2.gz SMPHUJXLUZBHMF-LSDHHAIUSA-N 2 1 339.480 1.108 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)[C@H](C)C1 ZINC000423862490 446735003 /nfs/dbraw/zinc/73/50/03/446735003.db2.gz SMPHUJXLUZBHMF-LSDHHAIUSA-N 2 1 339.480 1.108 20 0 EDADMP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000418761382 446680566 /nfs/dbraw/zinc/68/05/66/446680566.db2.gz LRZZHLUTLOUQRO-OAHLLOKOSA-N 2 1 338.402 1.511 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000423926239 446776051 /nfs/dbraw/zinc/77/60/51/446776051.db2.gz CZDRQLVSUDIFRT-YQQAZPJKSA-N 2 1 335.496 1.635 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000423926184 446777023 /nfs/dbraw/zinc/77/70/23/446777023.db2.gz CNYFKZWNBOKGAF-AYBZRNKSSA-N 2 1 331.460 1.564 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000423926184 446777027 /nfs/dbraw/zinc/77/70/27/446777027.db2.gz CNYFKZWNBOKGAF-AYBZRNKSSA-N 2 1 331.460 1.564 20 0 EDADMP CCCCN1CCOC[C@H]1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000376890070 446780847 /nfs/dbraw/zinc/78/08/47/446780847.db2.gz WQDKDKSUMXJVQA-KRWDZBQOSA-N 2 1 348.491 1.702 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C(N)=O)cs3)C2)CC1 ZINC000371332360 446782509 /nfs/dbraw/zinc/78/25/09/446782509.db2.gz OSQZAODVZYUOAQ-HNNXBMFYSA-N 2 1 336.505 1.447 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C(N)=O)cs3)C2)CC1 ZINC000371332360 446782513 /nfs/dbraw/zinc/78/25/13/446782513.db2.gz OSQZAODVZYUOAQ-HNNXBMFYSA-N 2 1 336.505 1.447 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000418935157 446810467 /nfs/dbraw/zinc/81/04/67/446810467.db2.gz GMHYYHLPNULZDX-NVXWUHKLSA-N 2 1 346.475 1.011 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000371416115 446841025 /nfs/dbraw/zinc/84/10/25/446841025.db2.gz JNEYANBBWHOEBH-KRWDZBQOSA-N 2 1 343.471 1.793 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424132575 446859925 /nfs/dbraw/zinc/85/99/25/446859925.db2.gz KYDGATGCCRWAGR-OWCLPIDISA-N 2 1 348.495 1.300 20 0 EDADMP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412118956 446869451 /nfs/dbraw/zinc/86/94/51/446869451.db2.gz CCBPQHGMQGBOIX-FGTMMUONSA-N 3 1 340.556 1.980 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1 ZINC000419017787 446869501 /nfs/dbraw/zinc/86/95/01/446869501.db2.gz HGRGMOPJFATOAO-UHFFFAOYSA-N 2 1 348.491 1.198 20 0 EDADMP CC(=O)NCC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420900270 446876658 /nfs/dbraw/zinc/87/66/58/446876658.db2.gz HTOUKBNEFQOLGK-UHFFFAOYSA-N 2 1 345.487 1.867 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1cccc(CN2CCOCC2)c1 ZINC000420960388 446930979 /nfs/dbraw/zinc/93/09/79/446930979.db2.gz GTXVYZAKYFQHPJ-QZTJIDSGSA-N 2 1 347.503 1.406 20 0 EDADMP C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420968601 446939301 /nfs/dbraw/zinc/93/93/01/446939301.db2.gz WTVLUSBHBRDAID-SFHVURJKSA-N 2 1 347.503 1.671 20 0 EDADMP C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420968601 446939304 /nfs/dbraw/zinc/93/93/04/446939304.db2.gz WTVLUSBHBRDAID-SFHVURJKSA-N 2 1 347.503 1.671 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000420972833 446943648 /nfs/dbraw/zinc/94/36/48/446943648.db2.gz BIDSGQIYHMCEDB-UHFFFAOYSA-N 2 1 344.503 1.778 20 0 EDADMP C[C@@H]1C[N@@H+](CCC(=O)NC2CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000371692412 446948449 /nfs/dbraw/zinc/94/84/49/446948449.db2.gz JAZRUJHXRWYKPF-MRXNPFEDSA-N 2 1 336.524 1.536 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442751657 446951103 /nfs/dbraw/zinc/95/11/03/446951103.db2.gz CUEPDFJTTIDOSA-OFQRWUPVSA-N 2 1 349.475 1.420 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000442770587 446961925 /nfs/dbraw/zinc/96/19/25/446961925.db2.gz YEMFLFFEGBQLBH-WBVHZDCISA-N 2 1 341.459 1.200 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000442770587 446961932 /nfs/dbraw/zinc/96/19/32/446961932.db2.gz YEMFLFFEGBQLBH-WBVHZDCISA-N 2 1 341.459 1.200 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442776110 446962771 /nfs/dbraw/zinc/96/27/71/446962771.db2.gz BJENHMZSWDXWDS-HUUCEWRRSA-N 2 1 340.471 1.812 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1F ZINC000442784963 446966975 /nfs/dbraw/zinc/96/69/75/446966975.db2.gz SRDVMOVKPWUOFB-KCQAQPDRSA-N 2 1 337.439 1.850 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000368597795 446969582 /nfs/dbraw/zinc/96/95/82/446969582.db2.gz YFTGWLRUBQJHCP-SFFUCWETSA-N 2 1 337.508 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000368597795 446969592 /nfs/dbraw/zinc/96/95/92/446969592.db2.gz YFTGWLRUBQJHCP-SFFUCWETSA-N 2 1 337.508 1.673 20 0 EDADMP CN(Cc1ccnc(N)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000375736818 447011083 /nfs/dbraw/zinc/01/10/83/447011083.db2.gz SHQPXZLAVWAFKA-IBGZPJMESA-N 2 1 326.444 1.733 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)C(C)(C)C[NH+](C)C ZINC000372346673 447043513 /nfs/dbraw/zinc/04/35/13/447043513.db2.gz OMKQJNDCOBFDRK-JYJNAYRXSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)C(C)(C)C[NH+](C)C ZINC000372346673 447043517 /nfs/dbraw/zinc/04/35/17/447043517.db2.gz OMKQJNDCOBFDRK-JYJNAYRXSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000377303999 447052700 /nfs/dbraw/zinc/05/27/00/447052700.db2.gz LUQJYDOLVJZYHM-GOEBONIOSA-N 2 1 331.464 1.988 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)C2)nc(C)[nH+]1 ZINC000375794560 447055473 /nfs/dbraw/zinc/05/54/73/447055473.db2.gz QCVBBKMOXKDLRG-HIFRSBDPSA-N 2 1 333.480 1.955 20 0 EDADMP C[NH+]1CCC([C@@H]2CCN(C(=O)NCC[N@H+]3CCCOCC3)C2)CC1 ZINC000455008275 447024696 /nfs/dbraw/zinc/02/46/96/447024696.db2.gz ZWMVWUGWBJVDSG-QGZVFWFLSA-N 2 1 338.496 1.082 20 0 EDADMP CCONC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372487473 447082226 /nfs/dbraw/zinc/08/22/26/447082226.db2.gz PSGBAIBNUGGHSA-UHFFFAOYSA-N 2 1 326.485 1.776 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1Cc2ccccc2N(C)C1 ZINC000372569280 447149514 /nfs/dbraw/zinc/14/95/14/447149514.db2.gz BHZIAHYXBFSIQH-DOTOQJQBSA-N 2 1 329.492 1.893 20 0 EDADMP C[C@H](CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[NH+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000425527789 447212912 /nfs/dbraw/zinc/21/29/12/447212912.db2.gz NYOQYKTVFLDPGS-KOGWCRERSA-N 2 1 336.520 1.951 20 0 EDADMP C[C@H](CC[NH+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000425527789 447212915 /nfs/dbraw/zinc/21/29/15/447212915.db2.gz NYOQYKTVFLDPGS-KOGWCRERSA-N 2 1 336.520 1.951 20 0 EDADMP C[C@H](CC[NH+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000425527789 447212920 /nfs/dbraw/zinc/21/29/20/447212920.db2.gz NYOQYKTVFLDPGS-KOGWCRERSA-N 2 1 336.520 1.951 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc([C@@H](C)O)s3)C2)CC1 ZINC000377616704 447247389 /nfs/dbraw/zinc/24/73/89/447247389.db2.gz QECVSELHRNXYGG-CABCVRRESA-N 2 1 338.521 1.797 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc([C@@H](C)O)s3)C2)CC1 ZINC000377616704 447247394 /nfs/dbraw/zinc/24/73/94/447247394.db2.gz QECVSELHRNXYGG-CABCVRRESA-N 2 1 338.521 1.797 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419485374 447216438 /nfs/dbraw/zinc/21/64/38/447216438.db2.gz VIWDQINWIGWDAH-JKSUJKDBSA-N 2 1 338.496 1.016 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000421701512 447224125 /nfs/dbraw/zinc/22/41/25/447224125.db2.gz HZBVNCJRPMENGO-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000421701512 447224131 /nfs/dbraw/zinc/22/41/31/447224131.db2.gz HZBVNCJRPMENGO-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000421701512 447224136 /nfs/dbraw/zinc/22/41/36/447224136.db2.gz HZBVNCJRPMENGO-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000421701512 447224141 /nfs/dbraw/zinc/22/41/41/447224141.db2.gz HZBVNCJRPMENGO-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@H](CO)[N@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000368966770 447232962 /nfs/dbraw/zinc/23/29/62/447232962.db2.gz RDCABNQIGFOCIM-QGZVFWFLSA-N 2 1 345.487 1.811 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425671433 447262147 /nfs/dbraw/zinc/26/21/47/447262147.db2.gz TWGTWKYJGGLPEN-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377693335 447298708 /nfs/dbraw/zinc/29/87/08/447298708.db2.gz KJMCMBODTRERDR-SJLPKXTDSA-N 2 1 344.507 1.287 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)nc2C)C[C@@H]1C ZINC000447233404 447269336 /nfs/dbraw/zinc/26/93/36/447269336.db2.gz ZJLIXEHHOZFXOU-ZFWWWQNUSA-N 2 1 332.448 1.968 20 0 EDADMP COC[C@]1(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000379981846 447456388 /nfs/dbraw/zinc/45/63/88/447456388.db2.gz PRVVKRUTGJNSPA-HKUYNNGSSA-N 2 1 331.460 1.345 20 0 EDADMP O[C@@H](CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000382408027 447462647 /nfs/dbraw/zinc/46/26/47/447462647.db2.gz BZAJOJMVENLKFH-PMACEKPBSA-N 2 1 331.504 1.945 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000458730443 447466252 /nfs/dbraw/zinc/46/62/52/447466252.db2.gz FVFVLBVLXPPSPA-JKSUJKDBSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458730443 447466257 /nfs/dbraw/zinc/46/62/57/447466257.db2.gz FVFVLBVLXPPSPA-JKSUJKDBSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458730443 447466263 /nfs/dbraw/zinc/46/62/63/447466263.db2.gz FVFVLBVLXPPSPA-JKSUJKDBSA-N 2 1 340.512 1.253 20 0 EDADMP COC[C@]1(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]C1 ZINC000389881783 447487164 /nfs/dbraw/zinc/48/71/64/447487164.db2.gz OQOQRKUBTXTOEF-IEZWGBDMSA-N 2 1 331.460 1.249 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495371742 447496691 /nfs/dbraw/zinc/49/66/91/447496691.db2.gz JLNPXPBSNULKBH-KSSFIOAISA-N 2 1 341.496 1.678 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495371742 447496697 /nfs/dbraw/zinc/49/66/97/447496697.db2.gz JLNPXPBSNULKBH-KSSFIOAISA-N 2 1 341.496 1.678 20 0 EDADMP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390866130 447504096 /nfs/dbraw/zinc/50/40/96/447504096.db2.gz NWCRWFGIOFJQON-DLBZAZTESA-N 2 1 333.476 1.767 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000459036587 447547577 /nfs/dbraw/zinc/54/75/77/447547577.db2.gz FORDLRGEQMSCSN-KRWDZBQOSA-N 2 1 347.507 1.400 20 0 EDADMP [NH3+][C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000399055326 447562093 /nfs/dbraw/zinc/56/20/93/447562093.db2.gz XAQOFFYZWDXBJB-QZTJIDSGSA-N 2 1 331.460 1.521 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495913358 447638877 /nfs/dbraw/zinc/63/88/77/447638877.db2.gz QBSIRCTUSQDCQR-AEFFLSMTSA-N 2 1 336.480 1.133 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457564629 447599641 /nfs/dbraw/zinc/59/96/41/447599641.db2.gz SWFWYSDYHBRTIG-UHFFFAOYSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000404307739 447600893 /nfs/dbraw/zinc/60/08/93/447600893.db2.gz CUOAIGCPSPEXCW-IMBTUZDBSA-N 2 1 345.487 1.875 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000457681328 447617154 /nfs/dbraw/zinc/61/71/54/447617154.db2.gz WEKMGTNABCXJCK-UHFFFAOYSA-N 2 1 333.480 1.209 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+]1CCC[C@@H](C)C1 ZINC000457695043 447622792 /nfs/dbraw/zinc/62/27/92/447622792.db2.gz CVSXNXOGGXHZSU-IKGGRYGDSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@@H+]1CCC[C@@H](C)C1 ZINC000457695043 447622796 /nfs/dbraw/zinc/62/27/96/447622796.db2.gz CVSXNXOGGXHZSU-IKGGRYGDSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@H+]1CCC[C@@H](C)C1 ZINC000457695043 447622801 /nfs/dbraw/zinc/62/28/01/447622801.db2.gz CVSXNXOGGXHZSU-IKGGRYGDSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)Cc1ccccc1 ZINC000416829707 447693369 /nfs/dbraw/zinc/69/33/69/447693369.db2.gz FYRAFVNUSYNQCI-FUHWJXTLSA-N 2 1 336.455 1.502 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000416911202 447706756 /nfs/dbraw/zinc/70/67/56/447706756.db2.gz BIIMPHFYHUZIQV-YJNKXOJESA-N 2 1 326.485 1.253 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NCC[C@@H]2CCC[NH2+]C2)n1 ZINC000420198624 447666677 /nfs/dbraw/zinc/66/66/77/447666677.db2.gz LZTGLEOFVREUPL-JZXOWHBKSA-N 2 1 347.507 1.738 20 0 EDADMP CC(C)(CC[NH3+])NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000422623428 447675152 /nfs/dbraw/zinc/67/51/52/447675152.db2.gz VOAAMJSCXDENPS-QGZVFWFLSA-N 2 1 348.491 1.704 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000495960872 447677059 /nfs/dbraw/zinc/67/70/59/447677059.db2.gz OTUAXKVVLKEDKN-MRXNPFEDSA-N 2 1 335.448 1.506 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000416942353 447718723 /nfs/dbraw/zinc/71/87/23/447718723.db2.gz KVLNWIAGDVJOBZ-QKPAOTATSA-N 2 1 326.485 1.173 20 0 EDADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000422707871 447723038 /nfs/dbraw/zinc/72/30/38/447723038.db2.gz IFWCOIFIVNUDHE-DBVUQKKJSA-N 3 1 346.519 1.276 20 0 EDADMP O=C(NCC[NH+]1CCC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429045218 447724015 /nfs/dbraw/zinc/72/40/15/447724015.db2.gz SJWVQIDELKOANQ-SFHVURJKSA-N 2 1 346.475 1.282 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417026254 447731327 /nfs/dbraw/zinc/73/13/27/447731327.db2.gz ABFQGQRDANFHKE-GVDBMIGSSA-N 2 1 340.512 1.646 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000417088377 447734081 /nfs/dbraw/zinc/73/40/81/447734081.db2.gz KHPHVHFVWLBQMC-KRWDZBQOSA-N 2 1 330.476 1.827 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000417221447 447737491 /nfs/dbraw/zinc/73/74/91/447737491.db2.gz NMPWCFGUDVBRKS-NVXWUHKLSA-N 2 1 334.464 1.357 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417272614 447740216 /nfs/dbraw/zinc/74/02/16/447740216.db2.gz UYVRBQUIHDQKCW-RBSFLKMASA-N 2 1 334.464 1.442 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417272614 447740219 /nfs/dbraw/zinc/74/02/19/447740219.db2.gz UYVRBQUIHDQKCW-RBSFLKMASA-N 2 1 334.464 1.442 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)ccn1 ZINC000458212148 447746651 /nfs/dbraw/zinc/74/66/51/447746651.db2.gz LWAHBTKLMZSDOY-HNNXBMFYSA-N 2 1 334.464 1.484 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)Cn2ccnn2)cc1 ZINC000459725742 447753270 /nfs/dbraw/zinc/75/32/70/447753270.db2.gz XIOFBZGJSANXDU-GUYCJALGSA-N 2 1 326.404 1.484 20 0 EDADMP COC1CCC([N@@H+](C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000496358882 447759325 /nfs/dbraw/zinc/75/93/25/447759325.db2.gz LDKXVIFHKMOKKN-LEOMRAHMSA-N 2 1 337.464 1.750 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000496385709 447761880 /nfs/dbraw/zinc/76/18/80/447761880.db2.gz UGTMEIBOZSPWGK-VKJFTORMSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000496385709 447761882 /nfs/dbraw/zinc/76/18/82/447761882.db2.gz UGTMEIBOZSPWGK-VKJFTORMSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000496385709 447761883 /nfs/dbraw/zinc/76/18/83/447761883.db2.gz UGTMEIBOZSPWGK-VKJFTORMSA-N 2 1 341.496 1.678 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000458318734 447768269 /nfs/dbraw/zinc/76/82/69/447768269.db2.gz CNZZZEABBXJKHO-IRXDYDNUSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000458318734 447768272 /nfs/dbraw/zinc/76/82/72/447768272.db2.gz CNZZZEABBXJKHO-IRXDYDNUSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000458318734 447768275 /nfs/dbraw/zinc/76/82/75/447768275.db2.gz CNZZZEABBXJKHO-IRXDYDNUSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H]([NH2+]CCCN1c2ccccc2OCC1=O)c1c[nH+]ccc1N ZINC000422927405 447774377 /nfs/dbraw/zinc/77/43/77/447774377.db2.gz YRMJQMIWCKENBG-CYBMUJFWSA-N 2 1 326.400 1.960 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)CC[NH2+]CC1 ZINC000422957845 447780911 /nfs/dbraw/zinc/78/09/11/447780911.db2.gz OGSBSGAPAKROCH-LSDHHAIUSA-N 3 1 336.480 1.739 20 0 EDADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC[C@@H]1[NH3+] ZINC000430969567 447787723 /nfs/dbraw/zinc/78/77/23/447787723.db2.gz FQXFAKJYHVMLJP-YOEHRIQHSA-N 2 1 344.459 1.811 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COC1C[NH2+]C1 ZINC000431019920 447788926 /nfs/dbraw/zinc/78/89/26/447788926.db2.gz UJKIJPIQDFXHGV-QGZVFWFLSA-N 2 1 331.460 1.345 20 0 EDADMP CCCCNC(=O)C1(NCc2nc(C(C)(C)N)no2)CCCCC1 ZINC000431104378 447791646 /nfs/dbraw/zinc/79/16/46/447791646.db2.gz GAUZRMPRAZVBFG-UHFFFAOYSA-N 2 1 337.468 1.972 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](CC)C1 ZINC000462012149 447797887 /nfs/dbraw/zinc/79/78/87/447797887.db2.gz SUOOXTIEZXAFMT-IKGGRYGDSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000462012149 447797891 /nfs/dbraw/zinc/79/78/91/447797891.db2.gz SUOOXTIEZXAFMT-IKGGRYGDSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000462012149 447797897 /nfs/dbraw/zinc/79/78/97/447797897.db2.gz SUOOXTIEZXAFMT-IKGGRYGDSA-N 2 1 342.528 1.593 20 0 EDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423104868 447805877 /nfs/dbraw/zinc/80/58/77/447805877.db2.gz QJYHHOMEWNIGRG-GXTWGEPZSA-N 2 1 345.896 1.596 20 0 EDADMP CN(CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423105270 447806064 /nfs/dbraw/zinc/80/60/64/447806064.db2.gz YVCQMIXECGGWEO-JKSUJKDBSA-N 2 1 343.468 1.696 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000471635473 447806364 /nfs/dbraw/zinc/80/63/64/447806364.db2.gz KDDFKXUXTUSASG-IRXDYDNUSA-N 2 1 334.464 1.309 20 0 EDADMP CCOC(=O)N[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000496627966 447836410 /nfs/dbraw/zinc/83/64/10/447836410.db2.gz TVGFOLBBSNEZDY-ULQDDVLXSA-N 2 1 335.448 1.128 20 0 EDADMP CCOC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000496627966 447836411 /nfs/dbraw/zinc/83/64/11/447836411.db2.gz TVGFOLBBSNEZDY-ULQDDVLXSA-N 2 1 335.448 1.128 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000522924903 447863869 /nfs/dbraw/zinc/86/38/69/447863869.db2.gz MNTLXTGBEYGQFY-MSOLQXFVSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522924903 447863874 /nfs/dbraw/zinc/86/38/74/447863874.db2.gz MNTLXTGBEYGQFY-MSOLQXFVSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000487330574 447829356 /nfs/dbraw/zinc/82/93/56/447829356.db2.gz FIYGMTKQZXZMMQ-HNNXBMFYSA-N 2 1 333.476 1.665 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C2)CC1 ZINC000575635401 447877850 /nfs/dbraw/zinc/87/78/50/447877850.db2.gz FJNYRRAVWCFVKC-OAHLLOKOSA-N 2 1 341.450 1.958 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000496761532 447890741 /nfs/dbraw/zinc/89/07/41/447890741.db2.gz WWUQMRHXKGHEBQ-LSDHHAIUSA-N 2 1 341.496 1.819 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530465617 447892032 /nfs/dbraw/zinc/89/20/32/447892032.db2.gz REPIDWBIDGRRTM-ZDUSSCGKSA-N 2 1 336.461 1.578 20 0 EDADMP C[C@@H](O)C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000524971699 447962407 /nfs/dbraw/zinc/96/24/07/447962407.db2.gz UZQOEZVGOWZRMS-MRXNPFEDSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H](O)C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000524971699 447962411 /nfs/dbraw/zinc/96/24/11/447962411.db2.gz UZQOEZVGOWZRMS-MRXNPFEDSA-N 2 1 345.487 1.612 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000524366414 447927317 /nfs/dbraw/zinc/92/73/17/447927317.db2.gz ZYGADJNFXIWXBL-ROUUACIJSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000497254616 448010030 /nfs/dbraw/zinc/01/00/30/448010030.db2.gz VYRZOJLKGZDVLW-AWEZNQCLSA-N 2 1 339.484 1.405 20 0 EDADMP [NH3+]C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000570428569 448012264 /nfs/dbraw/zinc/01/22/64/448012264.db2.gz CCSINDIKAQBVRU-OALUTQOASA-N 2 1 344.503 1.931 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000530830422 447967049 /nfs/dbraw/zinc/96/70/49/447967049.db2.gz AAVAQRJFUPECMG-HZPDHXFCSA-N 2 1 339.867 1.780 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000530830422 447967053 /nfs/dbraw/zinc/96/70/53/447967053.db2.gz AAVAQRJFUPECMG-HZPDHXFCSA-N 2 1 339.867 1.780 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000497276874 448030368 /nfs/dbraw/zinc/03/03/68/448030368.db2.gz OORJOJOZGDEFCD-SJLPKXTDSA-N 2 1 336.480 1.275 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000531297369 448056371 /nfs/dbraw/zinc/05/63/71/448056371.db2.gz PRSAHMPWEDYRNK-APWZRJJASA-N 2 1 331.460 1.081 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000531297369 448056372 /nfs/dbraw/zinc/05/63/72/448056372.db2.gz PRSAHMPWEDYRNK-APWZRJJASA-N 2 1 331.460 1.081 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000531297369 448056374 /nfs/dbraw/zinc/05/63/74/448056374.db2.gz PRSAHMPWEDYRNK-APWZRJJASA-N 2 1 331.460 1.081 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531299904 448057833 /nfs/dbraw/zinc/05/78/33/448057833.db2.gz NDADLERCFVUJFN-AZUAARDMSA-N 2 1 345.487 1.424 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531299904 448057837 /nfs/dbraw/zinc/05/78/37/448057837.db2.gz NDADLERCFVUJFN-AZUAARDMSA-N 2 1 345.487 1.424 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531299904 448057838 /nfs/dbraw/zinc/05/78/38/448057838.db2.gz NDADLERCFVUJFN-AZUAARDMSA-N 2 1 345.487 1.424 20 0 EDADMP CN(C)c1cc(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000531366700 448071776 /nfs/dbraw/zinc/07/17/76/448071776.db2.gz FPOIAHZEVMXZKN-LJQANCHMSA-N 2 1 340.427 1.723 20 0 EDADMP CN(C)c1cc(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000531366700 448071779 /nfs/dbraw/zinc/07/17/79/448071779.db2.gz FPOIAHZEVMXZKN-LJQANCHMSA-N 2 1 340.427 1.723 20 0 EDADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CCC(=O)NC(N)=O ZINC000576577431 448087743 /nfs/dbraw/zinc/08/77/43/448087743.db2.gz VHRMQXUOPSBDEN-UHFFFAOYSA-N 2 1 344.415 1.586 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000531482132 448091431 /nfs/dbraw/zinc/09/14/31/448091431.db2.gz LBAOEBVAIJAKTQ-BRWVUGGUSA-N 2 1 340.512 1.515 20 0 EDADMP Cc1nc(N2C[C@@H](C)[NH+](C)C[C@H]2C)cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000525958799 448066517 /nfs/dbraw/zinc/06/65/17/448066517.db2.gz JFTNIOIDAOCQEC-GEEKYZPCSA-N 2 1 346.523 1.843 20 0 EDADMP Cc1nc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000525958799 448066521 /nfs/dbraw/zinc/06/65/21/448066521.db2.gz JFTNIOIDAOCQEC-GEEKYZPCSA-N 2 1 346.523 1.843 20 0 EDADMP Cc1nc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000525958799 448066527 /nfs/dbraw/zinc/06/65/27/448066527.db2.gz JFTNIOIDAOCQEC-GEEKYZPCSA-N 2 1 346.523 1.843 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)[nH+]c1 ZINC000576807460 448144164 /nfs/dbraw/zinc/14/41/64/448144164.db2.gz VLNHYNPJNVTJFE-GOSISDBHSA-N 2 1 331.464 1.977 20 0 EDADMP O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@@H]1CCC[NH+]1C1CC1 ZINC000557024298 448176708 /nfs/dbraw/zinc/17/67/08/448176708.db2.gz UQWWYQVDWGWFDE-ROUUACIJSA-N 2 1 329.444 1.819 20 0 EDADMP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000571896388 448232199 /nfs/dbraw/zinc/23/21/99/448232199.db2.gz YTLBWBIRSFNYMK-UHFFFAOYSA-N 2 1 332.448 1.518 20 0 EDADMP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000571896388 448232205 /nfs/dbraw/zinc/23/22/05/448232205.db2.gz YTLBWBIRSFNYMK-UHFFFAOYSA-N 2 1 332.448 1.518 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000514949868 448232682 /nfs/dbraw/zinc/23/26/82/448232682.db2.gz MRJZZXSUEZZQRN-GOSISDBHSA-N 2 1 331.460 1.299 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000514949868 448232686 /nfs/dbraw/zinc/23/26/86/448232686.db2.gz MRJZZXSUEZZQRN-GOSISDBHSA-N 2 1 331.460 1.299 20 0 EDADMP CC(C)[C@@H](C(=O)NCc1ccc(C[NH3+])cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000577116924 448214263 /nfs/dbraw/zinc/21/42/63/448214263.db2.gz HAWVAHLGGMBDBR-RKVPGOIHSA-N 2 1 333.476 1.895 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000492721136 448267215 /nfs/dbraw/zinc/26/72/15/448267215.db2.gz CAXDOFOLNMSGLV-DAYGRLMNSA-N 2 1 341.496 1.869 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000492721136 448267219 /nfs/dbraw/zinc/26/72/19/448267219.db2.gz CAXDOFOLNMSGLV-DAYGRLMNSA-N 2 1 341.496 1.869 20 0 EDADMP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000515405918 448307954 /nfs/dbraw/zinc/30/79/54/448307954.db2.gz NKVXDRLWEHPFHK-SQNIBIBYSA-N 2 1 328.460 1.799 20 0 EDADMP COCC[N@H+](C)CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000582674671 448308997 /nfs/dbraw/zinc/30/89/97/448308997.db2.gz NQUJSTOXUXGCAY-OAHLLOKOSA-N 2 1 327.856 1.637 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000582674671 448309007 /nfs/dbraw/zinc/30/90/07/448309007.db2.gz NQUJSTOXUXGCAY-OAHLLOKOSA-N 2 1 327.856 1.637 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)Cc1ccc(F)cc1 ZINC000577486114 448310014 /nfs/dbraw/zinc/31/00/14/448310014.db2.gz ATBUFKQRLCDQNH-CQSZACIVSA-N 2 1 344.381 1.554 20 0 EDADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000527558983 448285125 /nfs/dbraw/zinc/28/51/25/448285125.db2.gz YMJBTKKETQUHMG-SUMDDJOVSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3)C2)O1 ZINC000527558983 448285129 /nfs/dbraw/zinc/28/51/29/448285129.db2.gz YMJBTKKETQUHMG-SUMDDJOVSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3)C2)O1 ZINC000527558983 448285134 /nfs/dbraw/zinc/28/51/34/448285134.db2.gz YMJBTKKETQUHMG-SUMDDJOVSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000527558983 448285142 /nfs/dbraw/zinc/28/51/42/448285142.db2.gz YMJBTKKETQUHMG-SUMDDJOVSA-N 2 1 331.460 1.486 20 0 EDADMP O=C(CC[NH2+]C1CC1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000577410428 448292390 /nfs/dbraw/zinc/29/23/90/448292390.db2.gz AJXUVKIBNSLIDH-UHFFFAOYSA-N 2 1 345.491 1.725 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000572410152 448372407 /nfs/dbraw/zinc/37/24/07/448372407.db2.gz PLYWEAXWXAUWRK-QUCCMNQESA-N 2 1 342.487 1.192 20 0 EDADMP Cc1cc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cn2cc[nH+]c12 ZINC000516153709 448387246 /nfs/dbraw/zinc/38/72/46/448387246.db2.gz LNILMIBBBYYIQS-UHFFFAOYSA-N 2 1 327.392 2.045 20 0 EDADMP CC[NH+]1CCN(c2ccc(CNC(=O)Cn3c[nH+]cc3C)cn2)CC1 ZINC000528016653 448409771 /nfs/dbraw/zinc/40/97/71/448409771.db2.gz VPNCRSYZZQAXSP-UHFFFAOYSA-N 2 1 342.447 1.045 20 0 EDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000528151396 448447980 /nfs/dbraw/zinc/44/79/80/448447980.db2.gz MMYBTLZNVSGVIL-SZOQZIPDSA-N 2 1 332.448 1.831 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000578122266 448465280 /nfs/dbraw/zinc/46/52/80/448465280.db2.gz LTYFDZLMSOMMDG-YESZJQIVSA-N 2 1 338.496 1.271 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000528283710 448475278 /nfs/dbraw/zinc/47/52/78/448475278.db2.gz CKLGYMNCWRIMLG-SFHVURJKSA-N 2 1 343.475 1.930 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000572858012 448483923 /nfs/dbraw/zinc/48/39/23/448483923.db2.gz AIHDEXKQXMUEEO-UXLLHSPISA-N 2 1 346.475 1.869 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000584359220 448498353 /nfs/dbraw/zinc/49/83/53/448498353.db2.gz VHPOKLDVVGEQJC-HKUYNNGSSA-N 2 1 344.503 1.451 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[C@H]([NH3+])C[C@H]2C)CC1 ZINC000584359222 448498783 /nfs/dbraw/zinc/49/87/83/448498783.db2.gz VHPOKLDVVGEQJC-MJGOQNOKSA-N 2 1 344.503 1.451 20 0 EDADMP O=C1[C@@H]([N@H+]2CC[C@@H](CN3CCOCC3)C2)CCN1C1CCCCC1 ZINC000528390078 448508933 /nfs/dbraw/zinc/50/89/33/448508933.db2.gz NPGOVZYVIOLLNH-WMZOPIPTSA-N 2 1 335.492 1.574 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(CO)ccc3F)C2)CC1 ZINC000528391018 448510331 /nfs/dbraw/zinc/51/03/31/448510331.db2.gz RDFPREVQTRSWKO-GOSISDBHSA-N 2 1 335.467 1.918 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCCO1 ZINC000566786549 448559024 /nfs/dbraw/zinc/55/90/24/448559024.db2.gz QHPJXMAOPWJUAJ-MSOLQXFVSA-N 2 1 346.475 1.410 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCN(c2c(F)cccc2F)C1)C1CC1 ZINC000566850631 448570082 /nfs/dbraw/zinc/57/00/82/448570082.db2.gz LPIAMZZDYPDLLN-JSGCOSHPSA-N 2 1 325.403 1.588 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCN(c2c(F)cccc2F)C1)C1CC1 ZINC000566850631 448570087 /nfs/dbraw/zinc/57/00/87/448570087.db2.gz LPIAMZZDYPDLLN-JSGCOSHPSA-N 2 1 325.403 1.588 20 0 EDADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000567159490 448625751 /nfs/dbraw/zinc/62/57/51/448625751.db2.gz LQLVMGGQHKJBGB-ZSGPHXLJSA-N 2 1 349.500 1.730 20 0 EDADMP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CC[NH2+]Cc2ccccc21 ZINC000517567516 448593782 /nfs/dbraw/zinc/59/37/82/448593782.db2.gz JDXDYMSXNUOBLU-OAHLLOKOSA-N 2 1 325.416 1.558 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCOCC(F)(F)F)CC1 ZINC000517651007 448600922 /nfs/dbraw/zinc/60/09/22/448600922.db2.gz ZKZSYIZERBOJOZ-UHFFFAOYSA-N 2 1 346.353 1.741 20 0 EDADMP CN(C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC([NH3+])C1 ZINC000578850352 448651123 /nfs/dbraw/zinc/65/11/23/448651123.db2.gz PGMBVUKEJPPCFO-ABHNRTSZSA-N 2 1 346.475 1.409 20 0 EDADMP C[N@@H+](CCOc1cccc(C[NH2+]CCC(N)=O)c1)C1CCOCC1 ZINC000573675961 448685789 /nfs/dbraw/zinc/68/57/89/448685789.db2.gz FDPLLPHVBOJMFM-UHFFFAOYSA-N 2 1 335.448 1.141 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000573770262 448705999 /nfs/dbraw/zinc/70/59/99/448705999.db2.gz ZYZOKGUWHZZJJB-JYJNAYRXSA-N 2 1 328.501 1.514 20 0 EDADMP COc1ccc(NC(=O)C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000567598846 448720485 /nfs/dbraw/zinc/72/04/85/448720485.db2.gz QCIVSQLCNPDJTL-CRAIPNDOSA-N 2 1 347.459 1.852 20 0 EDADMP COC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000541596960 448682435 /nfs/dbraw/zinc/68/24/35/448682435.db2.gz PLKKNEVODCAPLQ-IBGZPJMESA-N 2 1 347.503 1.900 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000519358827 448762042 /nfs/dbraw/zinc/76/20/42/448762042.db2.gz HALAOZRGKUINJH-ARLBYUKCSA-N 2 1 334.489 1.477 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000567681943 448736913 /nfs/dbraw/zinc/73/69/13/448736913.db2.gz BOOOZLYDBCVWBD-QZTJIDSGSA-N 2 1 333.476 1.122 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000567681943 448736918 /nfs/dbraw/zinc/73/69/18/448736918.db2.gz BOOOZLYDBCVWBD-QZTJIDSGSA-N 2 1 333.476 1.122 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@@H](C)S(C)(=O)=O)CC2)nc(C)[nH+]1 ZINC000573953983 448756916 /nfs/dbraw/zinc/75/69/16/448756916.db2.gz JEMZMVUHAZVLJL-GFCCVEGCSA-N 2 1 326.466 1.085 20 0 EDADMP O=c1c2c(ncn1Cc1cn3cc(Cl)ccc3[nH+]1)CC[NH2+]CC2 ZINC000519639536 448807953 /nfs/dbraw/zinc/80/79/53/448807953.db2.gz CNLWARZOANFVTF-UHFFFAOYSA-N 2 1 329.791 1.281 20 0 EDADMP C[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568058053 448809535 /nfs/dbraw/zinc/80/95/35/448809535.db2.gz RPKFUBXDQQMIAX-NXHRZFHOSA-N 2 1 346.475 1.409 20 0 EDADMP C[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568058053 448809540 /nfs/dbraw/zinc/80/95/40/448809540.db2.gz RPKFUBXDQQMIAX-NXHRZFHOSA-N 2 1 346.475 1.409 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)CC[N@@H+](C2CCC2)C1 ZINC000579545686 448815263 /nfs/dbraw/zinc/81/52/63/448815263.db2.gz LXBRSERIFQPILD-UONOGXRCSA-N 2 1 331.464 1.783 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)CC[N@H+](C2CCC2)C1 ZINC000579545686 448815270 /nfs/dbraw/zinc/81/52/70/448815270.db2.gz LXBRSERIFQPILD-UONOGXRCSA-N 2 1 331.464 1.783 20 0 EDADMP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000529301026 448812655 /nfs/dbraw/zinc/81/26/55/448812655.db2.gz SKLQFBVTCMITPW-QZTJIDSGSA-N 2 1 346.475 1.329 20 0 EDADMP C[C@@H](CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[N@@H+](C)C1CC1 ZINC000529309865 448816729 /nfs/dbraw/zinc/81/67/29/448816729.db2.gz YQZWDGPIFDWZAD-WMLDXEAASA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000546614431 448831484 /nfs/dbraw/zinc/83/14/84/448831484.db2.gz MFOWWBYHYFKRFI-KSSFIOAISA-N 2 1 349.500 1.799 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000546614431 448831489 /nfs/dbraw/zinc/83/14/89/448831489.db2.gz MFOWWBYHYFKRFI-KSSFIOAISA-N 2 1 349.500 1.799 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000547463770 448883069 /nfs/dbraw/zinc/88/30/69/448883069.db2.gz IEDVPSAHCVEGHR-IBGZPJMESA-N 2 1 331.460 1.176 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000547463770 448883074 /nfs/dbraw/zinc/88/30/74/448883074.db2.gz IEDVPSAHCVEGHR-IBGZPJMESA-N 2 1 331.460 1.176 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000547463770 448883079 /nfs/dbraw/zinc/88/30/79/448883079.db2.gz IEDVPSAHCVEGHR-IBGZPJMESA-N 2 1 331.460 1.176 20 0 EDADMP C[C@@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)CC[N@H+]1CC(C)(C)O ZINC000568371648 448861998 /nfs/dbraw/zinc/86/19/98/448861998.db2.gz ORDGGJPEOJQQMT-OAHLLOKOSA-N 2 1 340.512 1.525 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493991 448862072 /nfs/dbraw/zinc/86/20/72/448862072.db2.gz YKQDSGXRERELLI-ARFHVFGLSA-N 2 1 338.496 1.568 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000568628248 448897994 /nfs/dbraw/zinc/89/79/94/448897994.db2.gz PQIWAVUWEYSNGY-HZPDHXFCSA-N 2 1 342.528 1.892 20 0 EDADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000520396958 448891352 /nfs/dbraw/zinc/89/13/52/448891352.db2.gz WMZCXZLKXLVRBN-QZTJIDSGSA-N 2 1 346.475 1.953 20 0 EDADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000574787033 448957403 /nfs/dbraw/zinc/95/74/03/448957403.db2.gz LBWJDQZBSXFZKZ-HUUCEWRRSA-N 2 1 336.505 1.745 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000569100991 448961596 /nfs/dbraw/zinc/96/15/96/448961596.db2.gz WJFFFUHRANSZGR-CVEARBPZSA-N 2 1 330.476 1.454 20 0 EDADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000574858900 448970956 /nfs/dbraw/zinc/97/09/56/448970956.db2.gz JYMKXORGRRRMMU-INIZCTEOSA-N 2 1 337.489 1.490 20 0 EDADMP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)[NH+]1CC(C)C1 ZINC000582072116 449005160 /nfs/dbraw/zinc/00/51/60/449005160.db2.gz MNQJZVMYXMZUOZ-XYJFISCASA-N 2 1 347.507 1.602 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000575027499 449016980 /nfs/dbraw/zinc/01/69/80/449016980.db2.gz WBUWZFJTRRTDLW-OAHLLOKOSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000575027499 449016985 /nfs/dbraw/zinc/01/69/85/449016985.db2.gz WBUWZFJTRRTDLW-OAHLLOKOSA-N 2 1 326.485 1.007 20 0 EDADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000575181133 449055684 /nfs/dbraw/zinc/05/56/84/449055684.db2.gz QBEYSEJICUFJRD-QGZVFWFLSA-N 2 1 326.444 1.723 20 0 EDADMP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000548717036 449089195 /nfs/dbraw/zinc/08/91/95/449089195.db2.gz DTXHZLLJIMCMRY-CVEARBPZSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000548717036 449089196 /nfs/dbraw/zinc/08/91/96/449089196.db2.gz DTXHZLLJIMCMRY-CVEARBPZSA-N 2 1 325.497 1.866 20 0 EDADMP CCO[C@@H]1C[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)C[C@H]1C[NH3+] ZINC000593737131 449171710 /nfs/dbraw/zinc/17/17/10/449171710.db2.gz NSTXLJAZGPBBFI-UKRRQHHQSA-N 2 1 334.420 1.020 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)nc1 ZINC000593737656 449172307 /nfs/dbraw/zinc/17/23/07/449172307.db2.gz SFONIYYUCJLISL-ZMSDIMECSA-N 2 1 333.432 1.587 20 0 EDADMP CN(C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604208246 449192362 /nfs/dbraw/zinc/19/23/62/449192362.db2.gz IGPCKRZWIQMCBD-MAUKXSAKSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000604208246 449192369 /nfs/dbraw/zinc/19/23/69/449192369.db2.gz IGPCKRZWIQMCBD-MAUKXSAKSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000604208246 449192374 /nfs/dbraw/zinc/19/23/74/449192374.db2.gz IGPCKRZWIQMCBD-MAUKXSAKSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604208246 449192381 /nfs/dbraw/zinc/19/23/81/449192381.db2.gz IGPCKRZWIQMCBD-MAUKXSAKSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604208246 449192388 /nfs/dbraw/zinc/19/23/88/449192388.db2.gz IGPCKRZWIQMCBD-MAUKXSAKSA-N 2 1 349.523 1.033 20 0 EDADMP [NH3+]C[C@H]1CCCn2ncc(C(=O)N[C@H]3CC[N@H+](C4CCCCC4)C3)c21 ZINC000595966562 449288149 /nfs/dbraw/zinc/28/81/49/449288149.db2.gz QIHAHGQWSFAOIP-CABCVRRESA-N 2 1 345.491 1.856 20 0 EDADMP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000602089682 449335869 /nfs/dbraw/zinc/33/58/69/449335869.db2.gz PMPMCMAUCGBNEF-AWEZNQCLSA-N 2 1 327.469 1.203 20 0 EDADMP CN(C)C1(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CC1 ZINC000613993345 449409102 /nfs/dbraw/zinc/40/91/02/449409102.db2.gz OTGSTJTUTIRLEP-INIZCTEOSA-N 2 1 333.501 1.814 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](OC)C3CCOCC3)C2)CC1 ZINC000602464796 449611705 /nfs/dbraw/zinc/61/17/05/449611705.db2.gz NGRJWWRRCGPCQS-ROUUACIJSA-N 2 1 325.497 1.140 20 0 EDADMP CCN(C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1CC[N@H+](C)C1 ZINC000617555144 449684968 /nfs/dbraw/zinc/68/49/68/449684968.db2.gz QMBODZZSCKXDRW-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CCN(C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1CC[N@@H+](C)C1 ZINC000617555144 449684971 /nfs/dbraw/zinc/68/49/71/449684971.db2.gz QMBODZZSCKXDRW-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CCN(C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000617555144 449684975 /nfs/dbraw/zinc/68/49/75/449684975.db2.gz QMBODZZSCKXDRW-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CCN(C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000617555144 449684978 /nfs/dbraw/zinc/68/49/78/449684978.db2.gz QMBODZZSCKXDRW-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@](C)(O)Cc1ccccc1 ZINC000617505716 449651682 /nfs/dbraw/zinc/65/16/82/449651682.db2.gz NKPIKZWVKXKPCX-LPHOPBHVSA-N 2 1 335.492 1.368 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@](C)(O)Cc1ccccc1 ZINC000617505716 449651687 /nfs/dbraw/zinc/65/16/87/449651687.db2.gz NKPIKZWVKXKPCX-LPHOPBHVSA-N 2 1 335.492 1.368 20 0 EDADMP CCOC(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)[nH]1 ZINC000602554438 449670242 /nfs/dbraw/zinc/67/02/42/449670242.db2.gz YOTMEVXXZWSEBG-AWEZNQCLSA-N 2 1 335.448 1.782 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000594698801 449631054 /nfs/dbraw/zinc/63/10/54/449631054.db2.gz GSUYBBIJXZANNW-QZTJIDSGSA-N 2 1 330.476 1.752 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000594698801 449631060 /nfs/dbraw/zinc/63/10/60/449631060.db2.gz GSUYBBIJXZANNW-QZTJIDSGSA-N 2 1 330.476 1.752 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000594698801 449631065 /nfs/dbraw/zinc/63/10/65/449631065.db2.gz GSUYBBIJXZANNW-QZTJIDSGSA-N 2 1 330.476 1.752 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000608008439 449721605 /nfs/dbraw/zinc/72/16/05/449721605.db2.gz FHYITVIUZGNCEH-SFHVURJKSA-N 2 1 331.460 1.685 20 0 EDADMP CCN1CC[NH+](CCCC[NH2+]Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000597049149 449784341 /nfs/dbraw/zinc/78/43/41/449784341.db2.gz FPZHWUYRTKTAQA-UHFFFAOYSA-N 2 1 337.464 1.882 20 0 EDADMP CCOC(=O)C1(C)CC([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000601267193 449786919 /nfs/dbraw/zinc/78/69/19/449786919.db2.gz ICVRAZMVNROILU-UHFFFAOYSA-N 2 1 339.480 1.251 20 0 EDADMP C[C@H](CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)[NH+](C)C ZINC000617752515 449817150 /nfs/dbraw/zinc/81/71/50/449817150.db2.gz ORRTYXUOIAVICY-AEFFLSMTSA-N 2 1 332.492 1.432 20 0 EDADMP Cc1cc(N2CCC[C@@H]([NH2+]C[C@@H]3CNc4ccnn4C3)C2)nc(C)[nH+]1 ZINC000595143395 449898759 /nfs/dbraw/zinc/89/87/59/449898759.db2.gz CQEMJHBGQPOAGK-HZPDHXFCSA-N 2 1 341.463 1.590 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc(C(=O)OC)cn2)C1 ZINC000599307271 449878418 /nfs/dbraw/zinc/87/84/18/449878418.db2.gz KFGXWCBITUBJLQ-HNNXBMFYSA-N 2 1 336.436 1.196 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc(C(=O)OC)cn2)C1 ZINC000599307271 449878421 /nfs/dbraw/zinc/87/84/21/449878421.db2.gz KFGXWCBITUBJLQ-HNNXBMFYSA-N 2 1 336.436 1.196 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc(C(=O)OC)cn2)C1 ZINC000599307273 449879324 /nfs/dbraw/zinc/87/93/24/449879324.db2.gz KFGXWCBITUBJLQ-OAHLLOKOSA-N 2 1 336.436 1.196 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc(C(=O)OC)cn2)C1 ZINC000599307273 449879329 /nfs/dbraw/zinc/87/93/29/449879329.db2.gz KFGXWCBITUBJLQ-OAHLLOKOSA-N 2 1 336.436 1.196 20 0 EDADMP CC(C)n1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000603072461 450051939 /nfs/dbraw/zinc/05/19/39/450051939.db2.gz FEVODFMRPRVSOO-UHFFFAOYSA-N 2 1 328.420 1.863 20 0 EDADMP COC(=O)CC[N@H+]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000595419975 450130505 /nfs/dbraw/zinc/13/05/05/450130505.db2.gz BYIFHKVHQLMMEG-ZACQAIPSSA-N 2 1 325.497 1.534 20 0 EDADMP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC000615601169 450159476 /nfs/dbraw/zinc/15/94/76/450159476.db2.gz DONXSBUQOMLIIZ-GOSISDBHSA-N 2 1 325.416 1.825 20 0 EDADMP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC000615601169 450159482 /nfs/dbraw/zinc/15/94/82/450159482.db2.gz DONXSBUQOMLIIZ-GOSISDBHSA-N 2 1 325.416 1.825 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000613582957 450234388 /nfs/dbraw/zinc/23/43/88/450234388.db2.gz NESACOWZYHCZFW-IBGZPJMESA-N 2 1 347.503 1.372 20 0 EDADMP CC[NH+](CCO)CCNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000613582957 450234394 /nfs/dbraw/zinc/23/43/94/450234394.db2.gz NESACOWZYHCZFW-IBGZPJMESA-N 2 1 347.503 1.372 20 0 EDADMP CC[NH+](CCO)CCNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000613582957 450234398 /nfs/dbraw/zinc/23/43/98/450234398.db2.gz NESACOWZYHCZFW-IBGZPJMESA-N 2 1 347.503 1.372 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000618555751 450242815 /nfs/dbraw/zinc/24/28/15/450242815.db2.gz FURDSFKEYFRPNA-HNNXBMFYSA-N 2 1 340.537 1.741 20 0 EDADMP CCOC(=O)CN(C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1 ZINC000603432466 450300039 /nfs/dbraw/zinc/30/00/39/450300039.db2.gz INMCUPZLUHTHEE-LSDHHAIUSA-N 2 1 333.432 1.298 20 0 EDADMP O=C([C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000616703358 450464036 /nfs/dbraw/zinc/46/40/36/450464036.db2.gz VHDFNZBQOHBFON-IPMKNSEASA-N 2 1 343.471 1.143 20 0 EDADMP O=C([C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000616703360 450464164 /nfs/dbraw/zinc/46/41/64/450464164.db2.gz VHDFNZBQOHBFON-OTWHNJEPSA-N 2 1 343.471 1.143 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623227708 450458800 /nfs/dbraw/zinc/45/88/00/450458800.db2.gz ZNZDIUZCFFQZMM-YCPHGPKFSA-N 2 1 335.496 1.464 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623227708 450458801 /nfs/dbraw/zinc/45/88/01/450458801.db2.gz ZNZDIUZCFFQZMM-YCPHGPKFSA-N 2 1 335.496 1.464 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH2+]1 ZINC000620903208 450557673 /nfs/dbraw/zinc/55/76/73/450557673.db2.gz ITUMOLUCUJJGJD-UHOSZYNNSA-N 2 1 345.487 1.876 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH2+]1 ZINC000620903208 450557674 /nfs/dbraw/zinc/55/76/74/450557674.db2.gz ITUMOLUCUJJGJD-UHOSZYNNSA-N 2 1 345.487 1.876 20 0 EDADMP CC[N@H+](CC(=O)NC[C@@H]1CCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061643 450565855 /nfs/dbraw/zinc/56/58/55/450565855.db2.gz QKNHKIXHXKMYIA-SFHVURJKSA-N 2 1 333.476 1.865 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@@H]1CCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061643 450565856 /nfs/dbraw/zinc/56/58/56/450565856.db2.gz QKNHKIXHXKMYIA-SFHVURJKSA-N 2 1 333.476 1.865 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC000620971384 450567503 /nfs/dbraw/zinc/56/75/03/450567503.db2.gz HYJRDNVHNWEGNS-MSOLQXFVSA-N 2 1 337.508 1.963 20 0 EDADMP CCC1([NH+](C)C)CCN(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000633031349 450626496 /nfs/dbraw/zinc/62/64/96/450626496.db2.gz KAFMLIBAGANDPV-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633094822 450679515 /nfs/dbraw/zinc/67/95/15/450679515.db2.gz MEIPTKRNKYHJQU-CVEARBPZSA-N 2 1 338.496 1.049 20 0 EDADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cc2c1 ZINC000629510313 450721071 /nfs/dbraw/zinc/72/10/71/450721071.db2.gz BZUFCXBRUXOBCI-MRXNPFEDSA-N 2 1 326.444 1.830 20 0 EDADMP O=C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc2c(c1)OCCO2 ZINC000629551974 450732346 /nfs/dbraw/zinc/73/23/46/450732346.db2.gz YWMHTMCUTWMIKM-BZUAXINKSA-N 2 1 345.443 1.907 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000629571278 450742449 /nfs/dbraw/zinc/74/24/49/450742449.db2.gz KHGRLLOJKOEVRH-UHFFFAOYSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000629571278 450742451 /nfs/dbraw/zinc/74/24/51/450742451.db2.gz KHGRLLOJKOEVRH-UHFFFAOYSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000629572477 450742770 /nfs/dbraw/zinc/74/27/70/450742770.db2.gz ULYWWMIQJANADZ-HNNXBMFYSA-N 2 1 343.830 1.752 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000629572477 450742773 /nfs/dbraw/zinc/74/27/73/450742773.db2.gz ULYWWMIQJANADZ-HNNXBMFYSA-N 2 1 343.830 1.752 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000629577121 450746095 /nfs/dbraw/zinc/74/60/95/450746095.db2.gz PYETTWLAVCSUGC-UXHICEINSA-N 2 1 331.504 1.943 20 0 EDADMP Cn1nnc2cc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc21 ZINC000629657536 450773222 /nfs/dbraw/zinc/77/32/22/450773222.db2.gz ZBADTPUCMRCXID-NWDGAFQWSA-N 2 1 327.354 1.927 20 0 EDADMP Cn1nnc2cc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc21 ZINC000629657536 450773227 /nfs/dbraw/zinc/77/32/27/450773227.db2.gz ZBADTPUCMRCXID-NWDGAFQWSA-N 2 1 327.354 1.927 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000631785511 450774635 /nfs/dbraw/zinc/77/46/35/450774635.db2.gz PGVWEHGPYHXODJ-BZUAXINKSA-N 2 1 343.537 1.748 20 0 EDADMP Cc1cc(Br)cn2c(C[N@@H+](C)CCOCC[NH3+])cnc12 ZINC000629665898 450774875 /nfs/dbraw/zinc/77/48/75/450774875.db2.gz QYYBWNISTALFKX-UHFFFAOYSA-N 2 1 341.253 1.812 20 0 EDADMP C[NH2+]CC(=O)Nc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000629733550 450794063 /nfs/dbraw/zinc/79/40/63/450794063.db2.gz XPTQSCRHIGJNFC-UHFFFAOYSA-N 2 1 340.427 1.739 20 0 EDADMP CC(=O)N1CC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2ccccc21 ZINC000621751761 450857809 /nfs/dbraw/zinc/85/78/09/450857809.db2.gz NDNNMGUEUOOYKB-KRWDZBQOSA-N 2 1 344.459 1.238 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000631932447 450890482 /nfs/dbraw/zinc/89/04/82/450890482.db2.gz UYUXFWYAALIUNR-QGZVFWFLSA-N 2 1 347.484 1.853 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[NH2+]1 ZINC000626942193 451022365 /nfs/dbraw/zinc/02/23/65/451022365.db2.gz KPLYBCHRSQFCBZ-QAPCUYQASA-N 2 1 346.475 1.459 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Cc1ccccc1 ZINC000626947124 451025460 /nfs/dbraw/zinc/02/54/60/451025460.db2.gz LVVHXSBRTBSROJ-KDURUIRLSA-N 2 1 330.476 1.759 20 0 EDADMP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000626968306 451040446 /nfs/dbraw/zinc/04/04/46/451040446.db2.gz FWODBLDXDFLNAN-SFHVURJKSA-N 2 1 348.491 1.168 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000627001871 451067371 /nfs/dbraw/zinc/06/73/71/451067371.db2.gz NLAVJHPJKMWHLX-INIZCTEOSA-N 2 1 328.501 1.232 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC000635571776 451070842 /nfs/dbraw/zinc/07/08/42/451070842.db2.gz CMUOVZWMKCSDAJ-ZACQAIPSSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC000635571776 451070846 /nfs/dbraw/zinc/07/08/46/451070846.db2.gz CMUOVZWMKCSDAJ-ZACQAIPSSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC000635571776 451070848 /nfs/dbraw/zinc/07/08/48/451070848.db2.gz CMUOVZWMKCSDAJ-ZACQAIPSSA-N 2 1 325.497 1.724 20 0 EDADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635581183 451081328 /nfs/dbraw/zinc/08/13/28/451081328.db2.gz DTQBSHWWKMVVNC-MAUKXSAKSA-N 2 1 335.492 1.620 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC2([NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000627039299 451096221 /nfs/dbraw/zinc/09/62/21/451096221.db2.gz URWMAYSETXYVGY-NVXWUHKLSA-N 2 1 346.475 1.457 20 0 EDADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000627072052 451111979 /nfs/dbraw/zinc/11/19/79/451111979.db2.gz YDDQMXAJUFHOKZ-IAGOWNOFSA-N 2 1 334.464 1.176 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000627158615 451153819 /nfs/dbraw/zinc/15/38/19/451153819.db2.gz ZPLKAFSOYKZTGU-OKZBNKHCSA-N 2 1 330.476 1.695 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000627158615 451153823 /nfs/dbraw/zinc/15/38/23/451153823.db2.gz ZPLKAFSOYKZTGU-OKZBNKHCSA-N 2 1 330.476 1.695 20 0 EDADMP CCN(C(=O)NCCOCC[NH2+]C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627174849 451164470 /nfs/dbraw/zinc/16/44/70/451164470.db2.gz TWDGEJIJTCICNP-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000632315851 451194304 /nfs/dbraw/zinc/19/43/04/451194304.db2.gz WLRGDKCHZTUFQJ-HNNXBMFYSA-N 2 1 347.912 1.814 20 0 EDADMP C[NH+](C)[C@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC000635723181 451199532 /nfs/dbraw/zinc/19/95/32/451199532.db2.gz ZDIZTJOJMXAXOQ-ARFHVFGLSA-N 2 1 325.497 1.674 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000635741070 451210285 /nfs/dbraw/zinc/21/02/85/451210285.db2.gz ASYQMSLHWZGHDT-QRVBRYPASA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000635741070 451210288 /nfs/dbraw/zinc/21/02/88/451210288.db2.gz ASYQMSLHWZGHDT-QRVBRYPASA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000635741070 451210293 /nfs/dbraw/zinc/21/02/93/451210293.db2.gz ASYQMSLHWZGHDT-QRVBRYPASA-N 2 1 345.487 1.470 20 0 EDADMP C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000632370073 451232429 /nfs/dbraw/zinc/23/24/29/451232429.db2.gz VFRGFCRTWBMEAR-HZPDHXFCSA-N 2 1 347.507 1.828 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH2+]1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634261223 451256638 /nfs/dbraw/zinc/25/66/38/451256638.db2.gz ZBYYJLBZFKDRPR-PKOBYXMFSA-N 2 1 346.475 1.065 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000635927429 451370623 /nfs/dbraw/zinc/37/06/23/451370623.db2.gz NOFUHVYPLMJVCO-DLBZAZTESA-N 2 1 341.496 1.057 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638251656 451382133 /nfs/dbraw/zinc/38/21/33/451382133.db2.gz IOHNSNOZMPJXJL-KPFFTGBYSA-N 2 1 345.487 1.769 20 0 EDADMP c1cc(OCCN2CCOCC2)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638186731 451344646 /nfs/dbraw/zinc/34/46/46/451344646.db2.gz ZGTCYQSAJZJULO-HDICACEKSA-N 2 1 331.460 1.049 20 0 EDADMP c1cc(OCCN2CCOCC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638186731 451344648 /nfs/dbraw/zinc/34/46/48/451344648.db2.gz ZGTCYQSAJZJULO-HDICACEKSA-N 2 1 331.460 1.049 20 0 EDADMP C[C@H]1C[N@H+](CCCNC(=O)Nc2ccnc(C[NH+](C)C)c2)CCCO1 ZINC000640615751 451462167 /nfs/dbraw/zinc/46/21/67/451462167.db2.gz ZPARJLFJOLLVKW-HNNXBMFYSA-N 2 1 349.479 1.766 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccnc(C[NH+](C)C)c2)CCCO1 ZINC000640615751 451462170 /nfs/dbraw/zinc/46/21/70/451462170.db2.gz ZPARJLFJOLLVKW-HNNXBMFYSA-N 2 1 349.479 1.766 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccnc(C[NH+](C)C)c2)CCCO1 ZINC000640615752 451462531 /nfs/dbraw/zinc/46/25/31/451462531.db2.gz ZPARJLFJOLLVKW-OAHLLOKOSA-N 2 1 349.479 1.766 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccnc(C[NH+](C)C)c2)CCCO1 ZINC000640615752 451462533 /nfs/dbraw/zinc/46/25/33/451462533.db2.gz ZPARJLFJOLLVKW-OAHLLOKOSA-N 2 1 349.479 1.766 20 0 EDADMP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000636048357 451465356 /nfs/dbraw/zinc/46/53/56/451465356.db2.gz VIQJAWCZNHWCEX-OALUTQOASA-N 2 1 345.487 1.472 20 0 EDADMP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000636054120 451469778 /nfs/dbraw/zinc/46/97/78/451469778.db2.gz UKAZFXHXYHSTSN-SFHVURJKSA-N 3 1 336.524 1.489 20 0 EDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H](C)N1CCOCC1 ZINC000634703028 451479097 /nfs/dbraw/zinc/47/90/97/451479097.db2.gz ONMWMSWAVCDIDR-CMKODMSKSA-N 2 1 347.503 1.322 20 0 EDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H](C)N1CCOCC1 ZINC000634703028 451479101 /nfs/dbraw/zinc/47/91/01/451479101.db2.gz ONMWMSWAVCDIDR-CMKODMSKSA-N 2 1 347.503 1.322 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)CC(C)(C)C ZINC000638386585 451479520 /nfs/dbraw/zinc/47/95/20/451479520.db2.gz NPLQHVAPLGKITD-JYJNAYRXSA-N 2 1 325.497 1.709 20 0 EDADMP O[C@]1(C[NH2+]CCOC[C@H]2CCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704567 451480985 /nfs/dbraw/zinc/48/09/85/451480985.db2.gz MFAMGWGPGUDECO-MOPGFXCFSA-N 2 1 334.460 1.409 20 0 EDADMP O[C@]1(C[NH2+]CCOC[C@H]2CCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704567 451480991 /nfs/dbraw/zinc/48/09/91/451480991.db2.gz MFAMGWGPGUDECO-MOPGFXCFSA-N 2 1 334.460 1.409 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638395812 451485084 /nfs/dbraw/zinc/48/50/84/451485084.db2.gz ZDRNYXZIDAFWML-AFIMGQEJSA-N 2 1 349.475 1.179 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638395812 451485086 /nfs/dbraw/zinc/48/50/86/451485086.db2.gz ZDRNYXZIDAFWML-AFIMGQEJSA-N 2 1 349.475 1.179 20 0 EDADMP CCn1cccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1=O ZINC000634713247 451491996 /nfs/dbraw/zinc/49/19/96/451491996.db2.gz SMZJSWXWMZZRQQ-HXUWFJFHSA-N 2 1 341.455 1.595 20 0 EDADMP CCn1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1=O ZINC000634713247 451492003 /nfs/dbraw/zinc/49/20/03/451492003.db2.gz SMZJSWXWMZZRQQ-HXUWFJFHSA-N 2 1 341.455 1.595 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000638435113 451513607 /nfs/dbraw/zinc/51/36/07/451513607.db2.gz BHKLMCLXQLJYPH-MJGOQNOKSA-N 2 1 345.487 1.803 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634763547 451532871 /nfs/dbraw/zinc/53/28/71/451532871.db2.gz YMYFRFURMYJACI-MRXNPFEDSA-N 2 1 347.507 1.527 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000636847542 451552491 /nfs/dbraw/zinc/55/24/91/451552491.db2.gz VFFPYKPIRMRIQK-KBPBESRZSA-N 2 1 334.468 1.754 20 0 EDADMP Cc1cccc(NC(=O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000640758328 451556418 /nfs/dbraw/zinc/55/64/18/451556418.db2.gz JWZWXBXQQAPUGN-UHFFFAOYSA-N 2 1 342.447 1.191 20 0 EDADMP [NH3+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CCOCC1 ZINC000638537899 451566002 /nfs/dbraw/zinc/56/60/02/451566002.db2.gz JUOCICAPWPWCIM-KRWDZBQOSA-N 2 1 349.450 1.804 20 0 EDADMP [NH3+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CCOCC1 ZINC000638537899 451566006 /nfs/dbraw/zinc/56/60/06/451566006.db2.gz JUOCICAPWPWCIM-KRWDZBQOSA-N 2 1 349.450 1.804 20 0 EDADMP C[NH2+]CCOCCNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000638578008 451586154 /nfs/dbraw/zinc/58/61/54/451586154.db2.gz HWHYTGOLCBVDRX-HOTGVXAUSA-N 2 1 349.475 1.262 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCNC(=O)CC2)CC1 ZINC000634952793 451621763 /nfs/dbraw/zinc/62/17/63/451621763.db2.gz JHACVRIHBQRXJJ-IBGZPJMESA-N 2 1 344.503 1.582 20 0 EDADMP Cc1cc(C)cc(OCCn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000640854148 451639617 /nfs/dbraw/zinc/63/96/17/451639617.db2.gz CZKQNJAQVXOYBU-UHFFFAOYSA-N 2 1 343.475 1.940 20 0 EDADMP CO[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000638677990 451646994 /nfs/dbraw/zinc/64/69/94/451646994.db2.gz HHIRZGBOEDSJRH-UXHICEINSA-N 2 1 348.487 1.655 20 0 EDADMP CO[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000638677990 451646997 /nfs/dbraw/zinc/64/69/97/451646997.db2.gz HHIRZGBOEDSJRH-UXHICEINSA-N 2 1 348.487 1.655 20 0 EDADMP CNS(=O)(=O)CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000631248990 451662004 /nfs/dbraw/zinc/66/20/04/451662004.db2.gz RGEWTVZMJYMXAA-UHFFFAOYSA-N 2 1 325.478 1.180 20 0 EDADMP CCC(C)(C)NC(=O)[C@H](C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640910646 451686249 /nfs/dbraw/zinc/68/62/49/451686249.db2.gz ZMWGRPOKTWTUPZ-ZDUSSCGKSA-N 2 1 336.484 1.110 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000638849790 451710280 /nfs/dbraw/zinc/71/02/80/451710280.db2.gz HALHZZDFQKLCIC-WMLDXEAASA-N 2 1 339.443 1.433 20 0 EDADMP CO[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCOCC1 ZINC000638977467 451744592 /nfs/dbraw/zinc/74/45/92/451744592.db2.gz SPEPWIUKCRUBLR-VQTJNVASSA-N 2 1 348.487 1.784 20 0 EDADMP COC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC[NH2+]C1 ZINC000639003471 451751176 /nfs/dbraw/zinc/75/11/76/451751176.db2.gz ALKDSYDQLWQKAG-IEBWSBKVSA-N 2 1 331.460 1.312 20 0 EDADMP COC[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC[NH2+]C1 ZINC000639003477 451751397 /nfs/dbraw/zinc/75/13/97/451751397.db2.gz ALKDSYDQLWQKAG-PKOBYXMFSA-N 2 1 331.460 1.312 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639020392 451753123 /nfs/dbraw/zinc/75/31/23/451753123.db2.gz FGVSGLPAGGALLS-IPMKNSEASA-N 2 1 342.487 1.894 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)[C@]12CCCO2 ZINC000639116225 451771620 /nfs/dbraw/zinc/77/16/20/451771620.db2.gz CPDDZWHQNOCGAN-BSDSXHPESA-N 2 1 326.481 1.804 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc(C[C@@H]([NH3+])Cc2ccccc2)nn1 ZINC000641221922 451787630 /nfs/dbraw/zinc/78/76/30/451787630.db2.gz MBKRKPBNUPBHMJ-FUHWJXTLSA-N 2 1 331.464 1.092 20 0 EDADMP CC[N@H+](C)C[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641221735 451787888 /nfs/dbraw/zinc/78/78/88/451787888.db2.gz IHCHNWPXQGEKGZ-XHDPSFHLSA-N 2 1 341.818 1.431 20 0 EDADMP CC[N@@H+](C)C[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641221735 451787889 /nfs/dbraw/zinc/78/78/89/451787889.db2.gz IHCHNWPXQGEKGZ-XHDPSFHLSA-N 2 1 341.818 1.431 20 0 EDADMP O[C@@]1(Cn2cc(C3CC[NH2+]CC3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641229644 451790847 /nfs/dbraw/zinc/79/08/47/451790847.db2.gz LHQPBZDNJHEYLN-IBGZPJMESA-N 2 1 341.459 1.382 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC[NH2+]C1CC1 ZINC000637330055 451790987 /nfs/dbraw/zinc/79/09/87/451790987.db2.gz RXGCSTTZQRYAOI-SFHVURJKSA-N 2 1 345.491 1.830 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)[N@H+](C)C1 ZINC000649104788 451848325 /nfs/dbraw/zinc/84/83/25/451848325.db2.gz QBVWXKZDQPFGSN-OWSLCNJRSA-N 2 1 331.460 1.167 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)[N@@H+](C)C1 ZINC000649104788 451848330 /nfs/dbraw/zinc/84/83/30/451848330.db2.gz QBVWXKZDQPFGSN-OWSLCNJRSA-N 2 1 331.460 1.167 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)[NH+](C)C1 ZINC000649104788 451848335 /nfs/dbraw/zinc/84/83/35/451848335.db2.gz QBVWXKZDQPFGSN-OWSLCNJRSA-N 2 1 331.460 1.167 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)[NH+](C)C1 ZINC000649104788 451848339 /nfs/dbraw/zinc/84/83/39/451848339.db2.gz QBVWXKZDQPFGSN-OWSLCNJRSA-N 2 1 331.460 1.167 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000644556803 451857430 /nfs/dbraw/zinc/85/74/30/451857430.db2.gz FPZUZBPTVWNIJC-GOSISDBHSA-N 2 1 333.476 1.122 20 0 EDADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)COC(C)C)CC2)oc1C ZINC000644561242 451860949 /nfs/dbraw/zinc/86/09/49/451860949.db2.gz WGIIDYLTJJZSOT-QGZVFWFLSA-N 2 1 339.480 1.879 20 0 EDADMP Cc1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000644563535 451864646 /nfs/dbraw/zinc/86/46/46/451864646.db2.gz VEUSFFNBDSLJTK-AZUAARDMSA-N 2 1 348.487 1.968 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000653353579 451866928 /nfs/dbraw/zinc/86/69/28/451866928.db2.gz FNXNXUYQQSNAEN-UHFFFAOYSA-N 2 1 340.512 1.070 20 0 EDADMP CC(=O)NC[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639460547 451880139 /nfs/dbraw/zinc/88/01/39/451880139.db2.gz JIMUADCOJFYAKZ-WOJBJXKFSA-N 2 1 345.487 1.472 20 0 EDADMP CC(=O)NC[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639460547 451880147 /nfs/dbraw/zinc/88/01/47/451880147.db2.gz JIMUADCOJFYAKZ-WOJBJXKFSA-N 2 1 345.487 1.472 20 0 EDADMP CC(=O)NC[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639460547 451880155 /nfs/dbraw/zinc/88/01/55/451880155.db2.gz JIMUADCOJFYAKZ-WOJBJXKFSA-N 2 1 345.487 1.472 20 0 EDADMP CC(=O)NC[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639460547 451880163 /nfs/dbraw/zinc/88/01/63/451880163.db2.gz JIMUADCOJFYAKZ-WOJBJXKFSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCO1 ZINC000646851743 451888732 /nfs/dbraw/zinc/88/87/32/451888732.db2.gz ZZWHLKOFKMIVDP-LESCRADOSA-N 2 1 349.450 1.612 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000637473302 451891044 /nfs/dbraw/zinc/89/10/44/451891044.db2.gz OMOQJLYGGOMQCF-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP CC1(C)CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)CC[N@H+]1CCO ZINC000637472289 451891843 /nfs/dbraw/zinc/89/18/43/451891843.db2.gz ZKVQPWHIANWDHH-INIZCTEOSA-N 2 1 338.496 1.101 20 0 EDADMP CC1(C)CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1CCO ZINC000637472289 451891849 /nfs/dbraw/zinc/89/18/49/451891849.db2.gz ZKVQPWHIANWDHH-INIZCTEOSA-N 2 1 338.496 1.101 20 0 EDADMP CC1(C)CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC[NH+]1CCO ZINC000637472289 451891857 /nfs/dbraw/zinc/89/18/57/451891857.db2.gz ZKVQPWHIANWDHH-INIZCTEOSA-N 2 1 338.496 1.101 20 0 EDADMP CNC(=O)[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639486772 451896328 /nfs/dbraw/zinc/89/63/28/451896328.db2.gz RSAMIMMNOTUQDC-MJGOQNOKSA-N 2 1 331.460 1.081 20 0 EDADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639486772 451896332 /nfs/dbraw/zinc/89/63/32/451896332.db2.gz RSAMIMMNOTUQDC-MJGOQNOKSA-N 2 1 331.460 1.081 20 0 EDADMP CNC(=O)[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639486772 451896341 /nfs/dbraw/zinc/89/63/41/451896341.db2.gz RSAMIMMNOTUQDC-MJGOQNOKSA-N 2 1 331.460 1.081 20 0 EDADMP CNC(=O)[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639486772 451896347 /nfs/dbraw/zinc/89/63/47/451896347.db2.gz RSAMIMMNOTUQDC-MJGOQNOKSA-N 2 1 331.460 1.081 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CCC[NH2+]1 ZINC000649279556 451950961 /nfs/dbraw/zinc/95/09/61/451950961.db2.gz XWLCRWABEBBFTA-RDJZCZTQSA-N 2 1 339.867 1.828 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000642684809 451915878 /nfs/dbraw/zinc/91/58/78/451915878.db2.gz TUUJAJGHEQVVKC-CABCVRRESA-N 2 1 346.475 1.141 20 0 EDADMP Cc1ncc(CNC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000639518474 451919730 /nfs/dbraw/zinc/91/97/30/451919730.db2.gz IJBPFVDMZWVCQY-GOEBONIOSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncc(CNC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000639518474 451919736 /nfs/dbraw/zinc/91/97/36/451919736.db2.gz IJBPFVDMZWVCQY-GOEBONIOSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncc(CNC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000639518474 451919740 /nfs/dbraw/zinc/91/97/40/451919740.db2.gz IJBPFVDMZWVCQY-GOEBONIOSA-N 2 1 336.505 1.874 20 0 EDADMP COCCO[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639550649 451940755 /nfs/dbraw/zinc/94/07/55/451940755.db2.gz YUHAVJLUUFMZIX-UXHICEINSA-N 2 1 348.487 1.751 20 0 EDADMP COCCO[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639550649 451940760 /nfs/dbraw/zinc/94/07/60/451940760.db2.gz YUHAVJLUUFMZIX-UXHICEINSA-N 2 1 348.487 1.751 20 0 EDADMP COCCO[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639550649 451940766 /nfs/dbraw/zinc/94/07/66/451940766.db2.gz YUHAVJLUUFMZIX-UXHICEINSA-N 2 1 348.487 1.751 20 0 EDADMP COCCO[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639550649 451940770 /nfs/dbraw/zinc/94/07/70/451940770.db2.gz YUHAVJLUUFMZIX-UXHICEINSA-N 2 1 348.487 1.751 20 0 EDADMP Cn1ccnc1[C@@H]1CC[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639566214 451947283 /nfs/dbraw/zinc/94/72/83/451947283.db2.gz JARULRPPUNWINM-UYAOXDASSA-N 3 1 340.471 1.846 20 0 EDADMP Cn1ccnc1[C@@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639566214 451947287 /nfs/dbraw/zinc/94/72/87/451947287.db2.gz JARULRPPUNWINM-UYAOXDASSA-N 3 1 340.471 1.846 20 0 EDADMP Cn1ccnc1[C@@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639566214 451947293 /nfs/dbraw/zinc/94/72/93/451947293.db2.gz JARULRPPUNWINM-UYAOXDASSA-N 3 1 340.471 1.846 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NCC(=O)Nc2ccccn2)[C@@H](C)C1 ZINC000639588599 451959251 /nfs/dbraw/zinc/95/92/51/451959251.db2.gz DQKNDMGOOCLQJN-HOTGVXAUSA-N 2 1 334.464 1.747 20 0 EDADMP Cc1nocc1CNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000637618364 451974723 /nfs/dbraw/zinc/97/47/23/451974723.db2.gz JSTVGKNTBRVKMN-INIZCTEOSA-N 2 1 335.452 1.293 20 0 EDADMP CN(C(=O)[C@H]1C[NH2+]CCOC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000649300806 451977791 /nfs/dbraw/zinc/97/77/91/451977791.db2.gz PGMCOBWWCSLPSP-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000649304941 451981332 /nfs/dbraw/zinc/98/13/32/451981332.db2.gz OUQUJIWUHOHHAO-MRXNPFEDSA-N 2 1 332.448 1.386 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649308868 451986492 /nfs/dbraw/zinc/98/64/92/451986492.db2.gz DIKZHSNGLDTSBC-HUUCEWRRSA-N 2 1 337.489 1.312 20 0 EDADMP CC(C)(CO)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000649313858 451992660 /nfs/dbraw/zinc/99/26/60/451992660.db2.gz HKEWBEYCTYHWHA-QGZVFWFLSA-N 2 1 337.508 1.699 20 0 EDADMP CC(C)(CO)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000649313858 451992663 /nfs/dbraw/zinc/99/26/63/451992663.db2.gz HKEWBEYCTYHWHA-QGZVFWFLSA-N 2 1 337.508 1.699 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@]2(N)CC[NH+](C)C2)CC1 ZINC000649319665 451997752 /nfs/dbraw/zinc/99/77/52/451997752.db2.gz OTAPIITYFDFXJB-FQEVSTJZSA-N 2 1 344.503 1.390 20 0 EDADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@]2(N)CC[N@H+](C)C2)CC1 ZINC000649319665 451997756 /nfs/dbraw/zinc/99/77/56/451997756.db2.gz OTAPIITYFDFXJB-FQEVSTJZSA-N 2 1 344.503 1.390 20 0 EDADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@]2(N)CC[N@@H+](C)C2)CC1 ZINC000649319665 451997762 /nfs/dbraw/zinc/99/77/62/451997762.db2.gz OTAPIITYFDFXJB-FQEVSTJZSA-N 2 1 344.503 1.390 20 0 EDADMP CN1CC[C@@]([NH3+])(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000649319665 451997766 /nfs/dbraw/zinc/99/77/66/451997766.db2.gz OTAPIITYFDFXJB-FQEVSTJZSA-N 2 1 344.503 1.390 20 0 EDADMP CN1CC[C@@]([NH3+])(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000649319665 451997771 /nfs/dbraw/zinc/99/77/71/451997771.db2.gz OTAPIITYFDFXJB-FQEVSTJZSA-N 2 1 344.503 1.390 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2C[NH2+]CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000649323391 452003764 /nfs/dbraw/zinc/00/37/64/452003764.db2.gz ZHFUJRXRRKJWNH-QGZVFWFLSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000649329684 452009732 /nfs/dbraw/zinc/00/97/32/452009732.db2.gz BRUDYMXBLSBOLW-DBDQLMEASA-N 2 1 327.472 1.963 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000649362054 452042354 /nfs/dbraw/zinc/04/23/54/452042354.db2.gz FHNYFMVQKPMMHH-IEBWSBKVSA-N 2 1 328.460 1.648 20 0 EDADMP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000649362054 452042358 /nfs/dbraw/zinc/04/23/58/452042358.db2.gz FHNYFMVQKPMMHH-IEBWSBKVSA-N 2 1 328.460 1.648 20 0 EDADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000643159732 452050275 /nfs/dbraw/zinc/05/02/75/452050275.db2.gz JXJWPFSHTYOFDE-OAHLLOKOSA-N 2 1 332.448 1.971 20 0 EDADMP C[C@@H](CC(=O)NC1CCC([NH+]2CCNCC2)CC1)C1CC[NH2+]CC1 ZINC000647085599 452052618 /nfs/dbraw/zinc/05/26/18/452052618.db2.gz YWDPDIDTUUNFRA-ZLPCBKJTSA-N 2 1 336.524 1.345 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000649413810 452075520 /nfs/dbraw/zinc/07/55/20/452075520.db2.gz INFSWACJPUTAJG-HNNXBMFYSA-N 2 1 329.448 1.970 20 0 EDADMP c1nc2c(c(N3CCOCC3)n1)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000649412058 452075563 /nfs/dbraw/zinc/07/55/63/452075563.db2.gz GNVTYSKHGCWJNX-HNNXBMFYSA-N 2 1 331.464 1.061 20 0 EDADMP CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000649413807 452076533 /nfs/dbraw/zinc/07/65/33/452076533.db2.gz HLURVYUBJWQQFT-SFHVURJKSA-N 2 1 330.476 1.015 20 0 EDADMP C[N@H+](Cc1ccccc1)[C@H]1CCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000649413807 452076540 /nfs/dbraw/zinc/07/65/40/452076540.db2.gz HLURVYUBJWQQFT-SFHVURJKSA-N 2 1 330.476 1.015 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000649413807 452076549 /nfs/dbraw/zinc/07/65/49/452076549.db2.gz HLURVYUBJWQQFT-SFHVURJKSA-N 2 1 330.476 1.015 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649418225 452080526 /nfs/dbraw/zinc/08/05/26/452080526.db2.gz LCZMXBXGIYKPAE-NUJGCVRESA-N 2 1 345.491 1.627 20 0 EDADMP COC[C@H](C)[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000643230282 452084588 /nfs/dbraw/zinc/08/45/88/452084588.db2.gz GLUHXBIIRYERSJ-ZMSDIMECSA-N 2 1 325.497 1.532 20 0 EDADMP COC[C@H](C)[C@@H](C)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643230282 452084595 /nfs/dbraw/zinc/08/45/95/452084595.db2.gz GLUHXBIIRYERSJ-ZMSDIMECSA-N 2 1 325.497 1.532 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000637808020 452093382 /nfs/dbraw/zinc/09/33/82/452093382.db2.gz SYYSPHCIFOJKGA-KRWDZBQOSA-N 2 1 332.492 1.614 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000637808020 452093388 /nfs/dbraw/zinc/09/33/88/452093388.db2.gz SYYSPHCIFOJKGA-KRWDZBQOSA-N 2 1 332.492 1.614 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000639762178 452100422 /nfs/dbraw/zinc/10/04/22/452100422.db2.gz HHJGBFNZEOARDP-LPHOPBHVSA-N 2 1 339.524 1.660 20 0 EDADMP COc1cccc(CNC(=O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639762442 452101243 /nfs/dbraw/zinc/10/12/43/452101243.db2.gz LFDRUWCGJMVYNB-UHFFFAOYSA-N 2 1 331.460 1.729 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000637833338 452106597 /nfs/dbraw/zinc/10/65/97/452106597.db2.gz RZEGMGHBCXCMEE-ROUUACIJSA-N 2 1 326.444 1.262 20 0 EDADMP OC[C@H]1CCCCC[NH+]1CC1(C[N@@H+]2CCCCC[C@@H]2CO)COC1 ZINC000653783339 452114763 /nfs/dbraw/zinc/11/47/63/452114763.db2.gz IRGCQBQJYBVNEH-QZTJIDSGSA-N 2 1 340.508 1.477 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](n3ccnn3)CC2)CC1 ZINC000639816161 452150022 /nfs/dbraw/zinc/15/00/22/452150022.db2.gz CODJYGZPKRYRLT-SFHVURJKSA-N 2 1 334.512 1.721 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000653955834 452184405 /nfs/dbraw/zinc/18/44/05/452184405.db2.gz WAPMEUOOWOWEOM-MWDXBVQZSA-N 2 1 340.512 1.514 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000653955834 452184406 /nfs/dbraw/zinc/18/44/06/452184406.db2.gz WAPMEUOOWOWEOM-MWDXBVQZSA-N 2 1 340.512 1.514 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000653955834 452184408 /nfs/dbraw/zinc/18/44/08/452184408.db2.gz WAPMEUOOWOWEOM-MWDXBVQZSA-N 2 1 340.512 1.514 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000653955834 452184413 /nfs/dbraw/zinc/18/44/13/452184413.db2.gz WAPMEUOOWOWEOM-MWDXBVQZSA-N 2 1 340.512 1.514 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1c[nH+]ccc1N ZINC000643452196 452230181 /nfs/dbraw/zinc/23/01/81/452230181.db2.gz NCEOSGRJHXOMJK-CHWSQXEVSA-N 2 1 325.416 1.523 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cn3cccc(F)c3n2)C1)N1CC[NH2+]CC1 ZINC000647486428 452230276 /nfs/dbraw/zinc/23/02/76/452230276.db2.gz OGWAFQJZLFOGFQ-CQSZACIVSA-N 2 1 345.422 1.117 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2cn3cccc(F)c3n2)C1)N1CC[NH2+]CC1 ZINC000647486428 452230280 /nfs/dbraw/zinc/23/02/80/452230280.db2.gz OGWAFQJZLFOGFQ-CQSZACIVSA-N 2 1 345.422 1.117 20 0 EDADMP CN(CCN1CC[NH2+]CC1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000647492970 452236852 /nfs/dbraw/zinc/23/68/52/452236852.db2.gz MAWILOLJORRAMW-UHFFFAOYSA-N 2 1 332.536 1.982 20 0 EDADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647492970 452236857 /nfs/dbraw/zinc/23/68/57/452236857.db2.gz MAWILOLJORRAMW-UHFFFAOYSA-N 2 1 332.536 1.982 20 0 EDADMP CN(Cc1ccccc1)CC(C)(C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647492970 452236860 /nfs/dbraw/zinc/23/68/60/452236860.db2.gz MAWILOLJORRAMW-UHFFFAOYSA-N 2 1 332.536 1.982 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647492970 452236863 /nfs/dbraw/zinc/23/68/63/452236863.db2.gz MAWILOLJORRAMW-UHFFFAOYSA-N 3 1 332.536 1.982 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647492970 452236866 /nfs/dbraw/zinc/23/68/66/452236866.db2.gz MAWILOLJORRAMW-UHFFFAOYSA-N 3 1 332.536 1.982 20 0 EDADMP C[NH+](CCN1CC[NH2+]CC1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000647492970 452236868 /nfs/dbraw/zinc/23/68/68/452236868.db2.gz MAWILOLJORRAMW-UHFFFAOYSA-N 3 1 332.536 1.982 20 0 EDADMP C[NH+](CCN1CC[NH2+]CC1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000647492970 452236873 /nfs/dbraw/zinc/23/68/73/452236873.db2.gz MAWILOLJORRAMW-UHFFFAOYSA-N 3 1 332.536 1.982 20 0 EDADMP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000663555678 452265575 /nfs/dbraw/zinc/26/55/75/452265575.db2.gz DHMPPNVJWNIAOE-OAHLLOKOSA-N 2 1 339.528 1.184 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000663555678 452265580 /nfs/dbraw/zinc/26/55/80/452265580.db2.gz DHMPPNVJWNIAOE-OAHLLOKOSA-N 2 1 339.528 1.184 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000663555678 452265588 /nfs/dbraw/zinc/26/55/88/452265588.db2.gz DHMPPNVJWNIAOE-OAHLLOKOSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000659430100 452275055 /nfs/dbraw/zinc/27/50/55/452275055.db2.gz IVASGIQEKXUKLV-FPCVCCKLSA-N 2 1 340.512 1.643 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)CC2)c1 ZINC000641802375 452277769 /nfs/dbraw/zinc/27/77/69/452277769.db2.gz JQYDCYILCPTMBA-ZWKOTPCHSA-N 2 1 344.503 1.355 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)NCCc2ccc(OC(F)F)cc2)C[C@@H]1[NH3+] ZINC000641803518 452280017 /nfs/dbraw/zinc/28/00/17/452280017.db2.gz GIMQBCDNMOMPIN-UONOGXRCSA-N 2 1 341.402 1.662 20 0 EDADMP COc1cccc(CN(C)C(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1OC ZINC000641808280 452287449 /nfs/dbraw/zinc/28/74/49/452287449.db2.gz XUUCYSMYLHDMBT-HUUCEWRRSA-N 2 1 335.448 1.378 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)NCC2(c3ccccc3)CCOCC2)C[C@@H]1[NH3+] ZINC000641808221 452287785 /nfs/dbraw/zinc/28/77/85/452287785.db2.gz TYMXKLWWIOLRKR-DLBZAZTESA-N 2 1 345.487 1.566 20 0 EDADMP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000659451020 452300451 /nfs/dbraw/zinc/30/04/51/452300451.db2.gz LKEBLMIBOQPWJX-PGYGNJIDSA-N 2 1 342.487 1.684 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659457748 452310219 /nfs/dbraw/zinc/31/02/19/452310219.db2.gz KFFATODAFKORKV-ROUUACIJSA-N 2 1 334.508 1.892 20 0 EDADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000639981284 452314407 /nfs/dbraw/zinc/31/44/07/452314407.db2.gz IXANUSMCSUDXEP-IAGOWNOFSA-N 2 1 326.481 1.493 20 0 EDADMP CCO[C@@H]1CN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@H]1C[NH3+] ZINC000652127963 452323164 /nfs/dbraw/zinc/32/31/64/452323164.db2.gz KHJHGWZCFXNMMX-NVXWUHKLSA-N 2 1 340.512 1.646 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCS[C@H](C)[C@H]1C ZINC000665758280 452326293 /nfs/dbraw/zinc/32/62/93/452326293.db2.gz DMBKFHUAYHIHAH-RRFJBIMHSA-N 2 1 330.542 1.794 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCS[C@H](C)[C@H]1C ZINC000665758280 452326303 /nfs/dbraw/zinc/32/63/03/452326303.db2.gz DMBKFHUAYHIHAH-RRFJBIMHSA-N 2 1 330.542 1.794 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000659468625 452326724 /nfs/dbraw/zinc/32/67/24/452326724.db2.gz BZQQHNBGLBYOQX-QMCVQRASSA-N 2 1 334.439 1.730 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000665758258 452328799 /nfs/dbraw/zinc/32/87/99/452328799.db2.gz CRBWJAJKYVYWEC-XHSDSOJGSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000665758258 452328807 /nfs/dbraw/zinc/32/88/07/452328807.db2.gz CRBWJAJKYVYWEC-XHSDSOJGSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000665761839 452335206 /nfs/dbraw/zinc/33/52/06/452335206.db2.gz RDZHOFFHFUGGTG-HOCLYGCPSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000665761839 452335211 /nfs/dbraw/zinc/33/52/11/452335211.db2.gz RDZHOFFHFUGGTG-HOCLYGCPSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000665760879 452336119 /nfs/dbraw/zinc/33/61/19/452336119.db2.gz QZCSNHLBRBIHPX-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000665760879 452336122 /nfs/dbraw/zinc/33/61/22/452336122.db2.gz QZCSNHLBRBIHPX-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000659480444 452338184 /nfs/dbraw/zinc/33/81/84/452338184.db2.gz LVXBWMVWENAYEC-KKXDTOCCSA-N 2 1 346.475 1.880 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc4cnccn34)cc2)C1 ZINC000657593995 452360738 /nfs/dbraw/zinc/36/07/38/452360738.db2.gz GDTPOIJAHIOROM-GOSISDBHSA-N 2 1 337.427 1.586 20 0 EDADMP Cc1cc(=O)[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000645399213 452374091 /nfs/dbraw/zinc/37/40/91/452374091.db2.gz RCXXOICAKFOQPA-HNNXBMFYSA-N 2 1 332.448 1.336 20 0 EDADMP Cc1cc(=O)[nH]c(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000645399213 452374103 /nfs/dbraw/zinc/37/41/03/452374103.db2.gz RCXXOICAKFOQPA-HNNXBMFYSA-N 2 1 332.448 1.336 20 0 EDADMP CC[C@@]1(O)CCC[NH+](CC2(C[N@@H+]3CCC[C@](O)(CC)C3)COC2)C1 ZINC000640035868 452374556 /nfs/dbraw/zinc/37/45/56/452374556.db2.gz ODXUABCXMAJVFX-RTBURBONSA-N 2 1 340.508 1.477 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638072475 452381658 /nfs/dbraw/zinc/38/16/58/452381658.db2.gz SOFRJURNTWPJEI-JENIJYKNSA-N 2 1 331.460 1.534 20 0 EDADMP Cc1ccc2ncc(CN(C)CC(=O)N3CC[NH+](C)CC3)cc2c1 ZINC000640051733 452393856 /nfs/dbraw/zinc/39/38/56/452393856.db2.gz XWQQHRLPSZLZEX-UHFFFAOYSA-N 2 1 326.444 1.749 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652209089 452404630 /nfs/dbraw/zinc/40/46/30/452404630.db2.gz ZUPKYRMLGSTABN-QZTJIDSGSA-N 2 1 332.492 1.928 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652209089 452404640 /nfs/dbraw/zinc/40/46/40/452404640.db2.gz ZUPKYRMLGSTABN-QZTJIDSGSA-N 2 1 332.492 1.928 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659553670 452409968 /nfs/dbraw/zinc/40/99/68/452409968.db2.gz ALRRQKVRMMITDV-XYJFISCASA-N 2 1 347.507 1.228 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659553670 452409975 /nfs/dbraw/zinc/40/99/75/452409975.db2.gz ALRRQKVRMMITDV-XYJFISCASA-N 2 1 347.507 1.228 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652214829 452410463 /nfs/dbraw/zinc/41/04/63/452410463.db2.gz UHXBUJZEGJQGLN-NJAFHUGGSA-N 2 1 330.476 1.553 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652214829 452410469 /nfs/dbraw/zinc/41/04/69/452410469.db2.gz UHXBUJZEGJQGLN-NJAFHUGGSA-N 2 1 330.476 1.553 20 0 EDADMP COCC1(CNC(=O)NCCC[N@@H+](C)CC(C)C)CC[NH2+]CC1 ZINC000652218699 452411625 /nfs/dbraw/zinc/41/16/25/452411625.db2.gz XBGQISMFRJWSGV-UHFFFAOYSA-N 2 1 328.501 1.280 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000645452533 452422331 /nfs/dbraw/zinc/42/23/31/452422331.db2.gz QSUFNPUVKBXAAX-GOSISDBHSA-N 2 1 344.503 1.309 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000659572555 452427666 /nfs/dbraw/zinc/42/76/66/452427666.db2.gz XLRZNOJFWCWFNU-XHSDSOJGSA-N 2 1 338.496 1.541 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000659572555 452427676 /nfs/dbraw/zinc/42/76/76/452427676.db2.gz XLRZNOJFWCWFNU-XHSDSOJGSA-N 2 1 338.496 1.541 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3cccc(F)c3)CC2)CC1 ZINC000640135938 452456353 /nfs/dbraw/zinc/45/63/53/452456353.db2.gz JHGDFTJUHGGUBY-UHFFFAOYSA-N 2 1 334.439 1.112 20 0 EDADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000661639742 452456902 /nfs/dbraw/zinc/45/69/02/452456902.db2.gz OJTFBQPJLUJLFB-WOJBJXKFSA-N 2 1 331.504 1.690 20 0 EDADMP C[NH+](C[C@@H](O)CN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)C1CC1 ZINC000661639742 452456908 /nfs/dbraw/zinc/45/69/08/452456908.db2.gz OJTFBQPJLUJLFB-WOJBJXKFSA-N 2 1 331.504 1.690 20 0 EDADMP C[NH+](C[C@@H](O)CN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)C1CC1 ZINC000661639742 452456913 /nfs/dbraw/zinc/45/69/13/452456913.db2.gz OJTFBQPJLUJLFB-WOJBJXKFSA-N 2 1 331.504 1.690 20 0 EDADMP Cn1ccnc1-c1cccc(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000650026604 452467739 /nfs/dbraw/zinc/46/77/39/452467739.db2.gz OJUQTYCUBUSNOM-MRXNPFEDSA-N 2 1 341.415 1.370 20 0 EDADMP Cn1ccnc1-c1cccc(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000650026604 452467747 /nfs/dbraw/zinc/46/77/47/452467747.db2.gz OJUQTYCUBUSNOM-MRXNPFEDSA-N 2 1 341.415 1.370 20 0 EDADMP CC[NH+]1CCC(CNC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654419029 452472264 /nfs/dbraw/zinc/47/22/64/452472264.db2.gz GLZQOSLQEWLFHW-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP CC[NH+]1CCC(CNC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654419029 452472270 /nfs/dbraw/zinc/47/22/70/452472270.db2.gz GLZQOSLQEWLFHW-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[NH2+]Cc2ccccc21 ZINC000647760267 452493997 /nfs/dbraw/zinc/49/39/97/452493997.db2.gz SJAJRXJDOLIOBU-MRXNPFEDSA-N 2 1 325.416 1.558 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCCC2CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652325844 452499287 /nfs/dbraw/zinc/49/92/87/452499287.db2.gz ZKCTYLTWGDXPDP-LJQANCHMSA-N 2 1 344.503 1.944 20 0 EDADMP C[N@H+]1CCN(C(=O)NCCC2CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652325844 452499300 /nfs/dbraw/zinc/49/93/00/452499300.db2.gz ZKCTYLTWGDXPDP-LJQANCHMSA-N 2 1 344.503 1.944 20 0 EDADMP Cc1ncc2c(n1)CC[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000655687568 452510729 /nfs/dbraw/zinc/51/07/29/452510729.db2.gz QNPILDZERWVFIA-ROUUACIJSA-N 2 1 330.476 1.875 20 0 EDADMP C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)COC[C@H]1CCCO1 ZINC000655696416 452517336 /nfs/dbraw/zinc/51/73/36/452517336.db2.gz OWWPVTDJHVEILH-ZWKOTPCHSA-N 2 1 326.481 1.805 20 0 EDADMP OCCn1ncc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655698697 452518548 /nfs/dbraw/zinc/51/85/48/452518548.db2.gz UJCHATFMXXMZAP-SJLPKXTDSA-N 2 1 348.491 1.486 20 0 EDADMP CN1CCN(C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)CC1 ZINC000647783732 452520423 /nfs/dbraw/zinc/52/04/23/452520423.db2.gz AYXKZVVXXNNBCD-NCYKPQTJSA-N 2 1 342.531 1.953 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)C1 ZINC000652347549 452523026 /nfs/dbraw/zinc/52/30/26/452523026.db2.gz DJQMWQHJACFLQK-GVDBMIGSSA-N 2 1 335.492 1.510 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3nc(-c4ccccn4)no3)C2)C1 ZINC000652348455 452523233 /nfs/dbraw/zinc/52/32/33/452523233.db2.gz FFPYDSXPOBGLFZ-LZWOXQAQSA-N 2 1 343.431 1.850 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)NCc2cccs2)C1 ZINC000652361024 452542243 /nfs/dbraw/zinc/54/22/43/452542243.db2.gz WJZCITBJRKHCQY-VNQPRFMTSA-N 2 1 337.489 1.725 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)NCc2ccc(F)cc2)C1 ZINC000652360163 452542589 /nfs/dbraw/zinc/54/25/89/452542589.db2.gz BVFPHSIHUINOHU-SQNIBIBYSA-N 2 1 349.450 1.803 20 0 EDADMP C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663830850 452557788 /nfs/dbraw/zinc/55/77/88/452557788.db2.gz PBZRCMCDJOLPNS-LBPRGKRZSA-N 2 1 339.403 1.351 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000647825624 452561813 /nfs/dbraw/zinc/56/18/13/452561813.db2.gz WDVQKXVXPOBDRS-OAHLLOKOSA-N 2 1 335.448 1.333 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000647825624 452561820 /nfs/dbraw/zinc/56/18/20/452561820.db2.gz WDVQKXVXPOBDRS-OAHLLOKOSA-N 2 1 335.448 1.333 20 0 EDADMP CC1(C)C[C@@H](O)CC[N@@H+](C[C@H](O)C[NH+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000650163609 452565286 /nfs/dbraw/zinc/56/52/86/452565286.db2.gz FHIVLZHSTFCWFG-BJWYYQGGSA-N 2 1 342.524 1.313 20 0 EDADMP CC1(C)C[C@@H](O)CC[NH+](C[C@H](O)C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000650163609 452565301 /nfs/dbraw/zinc/56/53/01/452565301.db2.gz FHIVLZHSTFCWFG-BJWYYQGGSA-N 2 1 342.524 1.313 20 0 EDADMP CC1(C)C[C@@H](O)CC[NH+](C[C@H](O)C[N@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000650163609 452565307 /nfs/dbraw/zinc/56/53/07/452565307.db2.gz FHIVLZHSTFCWFG-BJWYYQGGSA-N 2 1 342.524 1.313 20 0 EDADMP COc1ccc([C@@H](CO)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655777609 452572137 /nfs/dbraw/zinc/57/21/37/452572137.db2.gz VOINACFVERNDOG-AEFFLSMTSA-N 2 1 334.460 1.614 20 0 EDADMP C[N@@H+](CCOc1ccccc1Br)CCN1CC[NH2+]CC1 ZINC000647836225 452573830 /nfs/dbraw/zinc/57/38/30/452573830.db2.gz RKXKECBOPRAYQI-UHFFFAOYSA-N 2 1 342.281 1.665 20 0 EDADMP OC[C@]1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCc2ccccc21 ZINC000655791920 452582556 /nfs/dbraw/zinc/58/25/56/452582556.db2.gz HGOSCBVOFDLRHW-UYAOXDASSA-N 2 1 330.472 1.706 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000643785039 452641243 /nfs/dbraw/zinc/64/12/43/452641243.db2.gz IDLBXVVLNXPNSV-JLUCKKNBSA-N 2 1 325.815 1.935 20 0 EDADMP c1ccc(-n2nnnc2CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901028 452642959 /nfs/dbraw/zinc/64/29/59/452642959.db2.gz IWTPZOHPJDUWAW-WBVHZDCISA-N 2 1 326.448 1.669 20 0 EDADMP c1ccc(-n2nnnc2CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901028 452642968 /nfs/dbraw/zinc/64/29/68/452642968.db2.gz IWTPZOHPJDUWAW-WBVHZDCISA-N 2 1 326.448 1.669 20 0 EDADMP [NH3+]C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655927808 452696427 /nfs/dbraw/zinc/69/64/27/452696427.db2.gz JVVIVWVSXNSJIZ-KBPBESRZSA-N 2 1 344.381 1.697 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cn1 ZINC000655940535 452710736 /nfs/dbraw/zinc/71/07/36/452710736.db2.gz UCMWYWZZEWECOP-IAGOWNOFSA-N 2 1 329.448 1.110 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cn1 ZINC000655940535 452710744 /nfs/dbraw/zinc/71/07/44/452710744.db2.gz UCMWYWZZEWECOP-IAGOWNOFSA-N 2 1 329.448 1.110 20 0 EDADMP O=C(C[NH+]1CCC2(CCCC2=O)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000661953655 452714908 /nfs/dbraw/zinc/71/49/08/452714908.db2.gz DRBXKBVIASBMET-UHFFFAOYSA-N 2 1 333.476 1.565 20 0 EDADMP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978623 452723773 /nfs/dbraw/zinc/72/37/73/452723773.db2.gz WAZIHFQLTIUNEB-ZWKOTPCHSA-N 2 1 339.524 1.877 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650027 452745312 /nfs/dbraw/zinc/74/53/12/452745312.db2.gz SOJFTNIHUXHIKO-OAGGEKHMSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650027 452745319 /nfs/dbraw/zinc/74/53/19/452745319.db2.gz SOJFTNIHUXHIKO-OAGGEKHMSA-N 2 1 326.485 1.221 20 0 EDADMP CC(=O)NC1CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000658135320 452746372 /nfs/dbraw/zinc/74/63/72/452746372.db2.gz DDVDFXJNDQTDES-SOAGJPPSSA-N 2 1 345.487 1.790 20 0 EDADMP Cn1ccnc1[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)C(C)(C)CO ZINC000664128464 452808374 /nfs/dbraw/zinc/80/83/74/452808374.db2.gz KQRKAOZLWCZIRN-JSGCOSHPSA-N 2 1 335.452 1.016 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC2(COC2)C1 ZINC000662074167 452820871 /nfs/dbraw/zinc/82/08/71/452820871.db2.gz PPBJCJQBZVXJEW-SJLPKXTDSA-N 2 1 343.471 1.488 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC2(COC2)C1 ZINC000662074167 452820880 /nfs/dbraw/zinc/82/08/80/452820880.db2.gz PPBJCJQBZVXJEW-SJLPKXTDSA-N 2 1 343.471 1.488 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC2(COC2)C1 ZINC000662074167 452820886 /nfs/dbraw/zinc/82/08/86/452820886.db2.gz PPBJCJQBZVXJEW-SJLPKXTDSA-N 2 1 343.471 1.488 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)[C@@H](C)C1 ZINC000654734433 452862297 /nfs/dbraw/zinc/86/22/97/452862297.db2.gz KWOGLZBEAHIERO-NXOAAHMSSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@@H](C)C1 ZINC000654734433 452862300 /nfs/dbraw/zinc/86/23/00/452862300.db2.gz KWOGLZBEAHIERO-NXOAAHMSSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)[C@@H](C)C1 ZINC000654734433 452862303 /nfs/dbraw/zinc/86/23/03/452862303.db2.gz KWOGLZBEAHIERO-NXOAAHMSSA-N 2 1 338.496 1.100 20 0 EDADMP O[C@H]1CC[N@@H+](C2CC[NH+](CCN3CCCc4ccccc43)CC2)C1 ZINC000662152956 452888306 /nfs/dbraw/zinc/88/83/06/452888306.db2.gz KHWUNFDXBUNUDA-IBGZPJMESA-N 2 1 329.488 1.970 20 0 EDADMP O[C@H]1CC[N@H+](C2CC[NH+](CCN3CCCc4ccccc43)CC2)C1 ZINC000662152956 452888309 /nfs/dbraw/zinc/88/83/09/452888309.db2.gz KHWUNFDXBUNUDA-IBGZPJMESA-N 2 1 329.488 1.970 20 0 EDADMP CC1(C)CCCN(c2cc[nH+]c(N3CCC([NH2+]CCO)CC3)n2)C1 ZINC000656150207 452905121 /nfs/dbraw/zinc/90/51/21/452905121.db2.gz NGMUBZAEZCZTSI-UHFFFAOYSA-N 2 1 333.480 1.654 20 0 EDADMP Cc1nn(C(C)C)cc1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000654775022 452907166 /nfs/dbraw/zinc/90/71/66/452907166.db2.gz BMLJFZJJNNEYHV-HNNXBMFYSA-N 2 1 333.480 1.671 20 0 EDADMP Cc1nn(C(C)C)cc1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000654775022 452907176 /nfs/dbraw/zinc/90/71/76/452907176.db2.gz BMLJFZJJNNEYHV-HNNXBMFYSA-N 2 1 333.480 1.671 20 0 EDADMP Cc1cc(NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)ccn1 ZINC000666490661 452908250 /nfs/dbraw/zinc/90/82/50/452908250.db2.gz UJZBSTMLTPNBTB-HZPDHXFCSA-N 2 1 330.432 1.577 20 0 EDADMP CC[N@H+](CCCNC(=O)[C@@H](C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000652756820 452917057 /nfs/dbraw/zinc/91/70/57/452917057.db2.gz VDXQPIMLYAKKJG-QGZVFWFLSA-N 2 1 338.540 1.783 20 0 EDADMP CC[N@@H+](CCCNC(=O)[C@@H](C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000652756820 452917061 /nfs/dbraw/zinc/91/70/61/452917061.db2.gz VDXQPIMLYAKKJG-QGZVFWFLSA-N 2 1 338.540 1.783 20 0 EDADMP Cc1nn(C)c2ncc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cc12 ZINC000650706302 452943107 /nfs/dbraw/zinc/94/31/07/452943107.db2.gz IEHLYFHTTFINCF-BQFCYCMXSA-N 2 1 343.475 1.995 20 0 EDADMP CC[N@@H+](CCC[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CCCCC1 ZINC000650710798 452947501 /nfs/dbraw/zinc/94/75/01/452947501.db2.gz ZVRXWLLPTZDLKR-QGZVFWFLSA-N 3 1 338.540 1.818 20 0 EDADMP COc1cccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1Cl ZINC000662243590 452970411 /nfs/dbraw/zinc/97/04/11/452970411.db2.gz NJIIMKBCSVJLEI-ZDUSSCGKSA-N 2 1 325.840 1.636 20 0 EDADMP Cn1cnnc1N1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000656272188 452999922 /nfs/dbraw/zinc/99/99/22/452999922.db2.gz RFKXKIWZRQUNAH-UHFFFAOYSA-N 2 1 344.463 1.078 20 0 EDADMP C[C@H](Cc1ccncc1)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664329042 453002194 /nfs/dbraw/zinc/00/21/94/453002194.db2.gz USGSCYQMOVFNSO-CVEARBPZSA-N 2 1 335.496 1.584 20 0 EDADMP C[C@H](Cc1ccncc1)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664329042 453002200 /nfs/dbraw/zinc/00/22/00/453002200.db2.gz USGSCYQMOVFNSO-CVEARBPZSA-N 2 1 335.496 1.584 20 0 EDADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662280932 453003635 /nfs/dbraw/zinc/00/36/35/453003635.db2.gz IEUMPMYXNXYMAH-SNPRPXQTSA-N 2 1 344.450 1.888 20 0 EDADMP CN(CC1C[NH+](C)C1)c1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC000664330434 453003606 /nfs/dbraw/zinc/00/36/06/453003606.db2.gz KUCCWPHERMICSF-UHFFFAOYSA-N 2 1 340.475 1.379 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662279346 453003763 /nfs/dbraw/zinc/00/37/63/453003763.db2.gz RXNCFFLQFVXVTD-SFHVURJKSA-N 3 1 339.524 1.578 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000662287415 453011916 /nfs/dbraw/zinc/01/19/16/453011916.db2.gz ZOEBEHORWUEGMD-CZUORRHYSA-N 2 1 325.478 1.544 20 0 EDADMP Cn1cc(N2CC[C@@H]([N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000662292272 453014064 /nfs/dbraw/zinc/01/40/64/453014064.db2.gz CVAHYHYKCWDOKI-DOTOQJQBSA-N 2 1 331.464 1.237 20 0 EDADMP Cn1cc(N2CCC[C@@H]([N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000662292321 453014784 /nfs/dbraw/zinc/01/47/84/453014784.db2.gz DMWXVMJFQLDGDY-SJLPKXTDSA-N 2 1 345.491 1.627 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662307764 453027397 /nfs/dbraw/zinc/02/73/97/453027397.db2.gz ZBEFLMDBMDIRGW-MOPGFXCFSA-N 2 1 329.488 1.756 20 0 EDADMP CN(CCc1ccccc1)[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662307764 453027401 /nfs/dbraw/zinc/02/74/01/453027401.db2.gz ZBEFLMDBMDIRGW-MOPGFXCFSA-N 2 1 329.488 1.756 20 0 EDADMP CN(CCc1ccccc1)[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662307764 453027405 /nfs/dbraw/zinc/02/74/05/453027405.db2.gz ZBEFLMDBMDIRGW-MOPGFXCFSA-N 2 1 329.488 1.756 20 0 EDADMP COc1cccc([C@@]2(C)CC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)c1 ZINC000662309638 453029379 /nfs/dbraw/zinc/02/93/79/453029379.db2.gz BIHVTJXKLPPYPM-IBGZPJMESA-N 2 1 331.460 1.481 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000660115962 453043691 /nfs/dbraw/zinc/04/36/91/453043691.db2.gz DYECGWUOPZXNES-UHFFFAOYSA-N 2 1 336.461 1.622 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000660115962 453043694 /nfs/dbraw/zinc/04/36/94/453043694.db2.gz DYECGWUOPZXNES-UHFFFAOYSA-N 2 1 336.461 1.622 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3c(cccc3C(N)=O)C2)cc1 ZINC000662327143 453045540 /nfs/dbraw/zinc/04/55/40/453045540.db2.gz KPDHUFLNWJBOFD-MRXNPFEDSA-N 2 1 339.439 1.895 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3c(cccc3C(N)=O)C2)cc1 ZINC000662327143 453045544 /nfs/dbraw/zinc/04/55/44/453045544.db2.gz KPDHUFLNWJBOFD-MRXNPFEDSA-N 2 1 339.439 1.895 20 0 EDADMP CCCNC(=O)[C@@H](C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327387 453045959 /nfs/dbraw/zinc/04/59/59/453045959.db2.gz HSZXYIYYHRUEBL-CQSZACIVSA-N 2 1 347.507 1.971 20 0 EDADMP CC[C@@H](C)NC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328766 453048982 /nfs/dbraw/zinc/04/89/82/453048982.db2.gz UZDSJPQYHKSNTJ-CQSZACIVSA-N 2 1 347.507 1.971 20 0 EDADMP CC[C@@H](C)NC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328766 453048998 /nfs/dbraw/zinc/04/89/98/453048998.db2.gz UZDSJPQYHKSNTJ-CQSZACIVSA-N 2 1 347.507 1.971 20 0 EDADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000662337230 453053789 /nfs/dbraw/zinc/05/37/89/453053789.db2.gz KIPMMGFURXETOH-IAGOWNOFSA-N 2 1 347.507 1.958 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065455 453078196 /nfs/dbraw/zinc/07/81/96/453078196.db2.gz GXDIQUFBHQEYML-BPQIPLTHSA-N 2 1 333.476 1.766 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065455 453078205 /nfs/dbraw/zinc/07/82/05/453078205.db2.gz GXDIQUFBHQEYML-BPQIPLTHSA-N 2 1 333.476 1.766 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000646103528 453103540 /nfs/dbraw/zinc/10/35/40/453103540.db2.gz WZWLAMRCHWDNDO-SFHVURJKSA-N 2 1 348.487 1.840 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](CCOCCOc1ccccc1)CCO2 ZINC000646104037 453106824 /nfs/dbraw/zinc/10/68/24/453106824.db2.gz XLBDBJJQKNNTBS-UHFFFAOYSA-N 2 1 334.460 1.879 20 0 EDADMP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662401670 453113337 /nfs/dbraw/zinc/11/33/37/453113337.db2.gz ZEEJHSBNTZGDQB-MFKMUULPSA-N 2 1 326.238 1.659 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662401670 453113349 /nfs/dbraw/zinc/11/33/49/453113349.db2.gz ZEEJHSBNTZGDQB-MFKMUULPSA-N 2 1 326.238 1.659 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)C1 ZINC000662463313 453172021 /nfs/dbraw/zinc/17/20/21/453172021.db2.gz YDRCICNTKKZWDY-HKUYNNGSSA-N 2 1 342.487 1.459 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)N1CCOCC1 ZINC000660297717 453185649 /nfs/dbraw/zinc/18/56/49/453185649.db2.gz OPUMUVUIXLHKHN-HZPDHXFCSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000660297717 453185666 /nfs/dbraw/zinc/18/56/66/453185666.db2.gz OPUMUVUIXLHKHN-HZPDHXFCSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)CN1CC[NH+](C)CC1 ZINC000662479106 453192791 /nfs/dbraw/zinc/19/27/91/453192791.db2.gz CJGZZKCHGLIVER-QAPCUYQASA-N 2 1 330.476 1.221 20 0 EDADMP Clc1ccc(CC[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000656499581 453228219 /nfs/dbraw/zinc/22/82/19/453228219.db2.gz UQVWVCCVQQXYCZ-SFHVURJKSA-N 2 1 337.895 1.879 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1Br)C1CC1 ZINC000662526556 453247452 /nfs/dbraw/zinc/24/74/52/453247452.db2.gz HJRHMYCJXKAWQL-KGLIPLIRSA-N 2 1 340.265 1.905 20 0 EDADMP [NH3+][C@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1Br ZINC000662564967 453293035 /nfs/dbraw/zinc/29/30/35/453293035.db2.gz COFBGOYZQGHZMK-OLZOCXBDSA-N 2 1 338.249 1.707 20 0 EDADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662570965 453298600 /nfs/dbraw/zinc/29/86/00/453298600.db2.gz PKZNDCPNUNLPOY-GIPNMCIBSA-N 2 1 326.238 1.693 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000660458218 453323972 /nfs/dbraw/zinc/32/39/72/453323972.db2.gz ANVOJEVKEDSXNQ-FUHWJXTLSA-N 2 1 333.476 1.672 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000660458218 453323980 /nfs/dbraw/zinc/32/39/80/453323980.db2.gz ANVOJEVKEDSXNQ-FUHWJXTLSA-N 2 1 333.476 1.672 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000660458218 453323986 /nfs/dbraw/zinc/32/39/86/453323986.db2.gz ANVOJEVKEDSXNQ-FUHWJXTLSA-N 2 1 333.476 1.672 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000660458218 453323991 /nfs/dbraw/zinc/32/39/91/453323991.db2.gz ANVOJEVKEDSXNQ-FUHWJXTLSA-N 2 1 333.476 1.672 20 0 EDADMP [NH3+]C1(CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000662650599 453364345 /nfs/dbraw/zinc/36/43/45/453364345.db2.gz BXCDQRTUNXUXHC-KRWDZBQOSA-N 2 1 331.460 1.665 20 0 EDADMP [NH3+]C1(CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000662650599 453364356 /nfs/dbraw/zinc/36/43/56/453364356.db2.gz BXCDQRTUNXUXHC-KRWDZBQOSA-N 2 1 331.460 1.665 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CCCO1 ZINC000664756998 453379966 /nfs/dbraw/zinc/37/99/66/453379966.db2.gz YUIJKMHNDYOQDC-CVEARBPZSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCCO1 ZINC000664756998 453379978 /nfs/dbraw/zinc/37/99/78/453379978.db2.gz YUIJKMHNDYOQDC-CVEARBPZSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCCO1 ZINC000664756998 453379988 /nfs/dbraw/zinc/37/99/88/453379988.db2.gz YUIJKMHNDYOQDC-CVEARBPZSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662681007 453400713 /nfs/dbraw/zinc/40/07/13/453400713.db2.gz RNNARXSLWUGJFN-GJZGRUSLSA-N 2 1 334.468 1.054 20 0 EDADMP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000662683269 453405051 /nfs/dbraw/zinc/40/50/51/453405051.db2.gz PZODCWBCEQXUAM-WUJZJPHMSA-N 2 1 331.435 1.987 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000648935297 453414827 /nfs/dbraw/zinc/41/48/27/453414827.db2.gz SSZOLILMSRSIJH-JJXSEGSLSA-N 2 1 334.464 1.501 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000648935297 453414836 /nfs/dbraw/zinc/41/48/36/453414836.db2.gz SSZOLILMSRSIJH-JJXSEGSLSA-N 2 1 334.464 1.501 20 0 EDADMP [NH3+]C[C@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ccccc1 ZINC000662705214 453427636 /nfs/dbraw/zinc/42/76/36/453427636.db2.gz LLXXFBXJHMWJEA-RCCFBDPRSA-N 2 1 343.471 1.489 20 0 EDADMP CCO[C@@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000653247777 453432888 /nfs/dbraw/zinc/43/28/88/453432888.db2.gz QWMWYOFVQAXHOQ-FVQBIDKESA-N 2 1 339.867 1.765 20 0 EDADMP C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)[C@H](Cc2ccccc2)C1 ZINC000653253890 453438056 /nfs/dbraw/zinc/43/80/56/453438056.db2.gz CWCVQGSWDBZYGZ-HZPDHXFCSA-N 2 1 337.414 1.617 20 0 EDADMP C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)[C@H](Cc2ccccc2)C1 ZINC000653253890 453438064 /nfs/dbraw/zinc/43/80/64/453438064.db2.gz CWCVQGSWDBZYGZ-HZPDHXFCSA-N 2 1 337.414 1.617 20 0 EDADMP C[N@@H+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)[C@@H](Cc2ccccc2)C1 ZINC000653254739 453438246 /nfs/dbraw/zinc/43/82/46/453438246.db2.gz ZCHPIMXCIMJGEZ-SJORKVTESA-N 2 1 333.501 1.467 20 0 EDADMP C[N@H+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)[C@@H](Cc2ccccc2)C1 ZINC000653254739 453438250 /nfs/dbraw/zinc/43/82/50/453438250.db2.gz ZCHPIMXCIMJGEZ-SJORKVTESA-N 2 1 333.501 1.467 20 0 EDADMP [NH3+][C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccccc1Br ZINC000662749095 453478819 /nfs/dbraw/zinc/47/88/19/453478819.db2.gz KDDDDWPCYHVHGX-IJLUTSLNSA-N 2 1 330.201 1.347 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664918139 453483164 /nfs/dbraw/zinc/48/31/64/453483164.db2.gz AFGSNPOUUGLWOZ-DLBZAZTESA-N 2 1 340.512 1.611 20 0 EDADMP COCc1ccccc1CNC(=O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654679 453489921 /nfs/dbraw/zinc/48/99/21/453489921.db2.gz BFYXFLGFMHXNBD-FQEVSTJZSA-N 2 1 345.487 1.867 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@H]2[NH2+]CCC2(C)C)(N2CCCCC2)CC1 ZINC000662755580 453491599 /nfs/dbraw/zinc/49/15/99/453491599.db2.gz CDLPUTCAUSLBEQ-MRXNPFEDSA-N 2 1 336.524 1.441 20 0 EDADMP CC[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662754666 453491757 /nfs/dbraw/zinc/49/17/57/453491757.db2.gz TUIUGMZTQWNWNJ-XSLAGTTESA-N 2 1 331.460 1.520 20 0 EDADMP CC[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662754666 453491760 /nfs/dbraw/zinc/49/17/60/453491760.db2.gz TUIUGMZTQWNWNJ-XSLAGTTESA-N 2 1 331.460 1.520 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000660704525 453530201 /nfs/dbraw/zinc/53/02/01/453530201.db2.gz USWJOFWNHOISMI-ZWKOTPCHSA-N 2 1 334.508 1.892 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+](CC2CC2)C1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000660704525 453530207 /nfs/dbraw/zinc/53/02/07/453530207.db2.gz USWJOFWNHOISMI-ZWKOTPCHSA-N 2 1 334.508 1.892 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+](CC2CC2)C1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000660704525 453530214 /nfs/dbraw/zinc/53/02/14/453530214.db2.gz USWJOFWNHOISMI-ZWKOTPCHSA-N 2 1 334.508 1.892 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)[C@H]2C1 ZINC000667328043 453560068 /nfs/dbraw/zinc/56/00/68/453560068.db2.gz CJQZUNYTJXFTPY-QYZOEREBSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)[C@H]2C1 ZINC000667328043 453560074 /nfs/dbraw/zinc/56/00/74/453560074.db2.gz CJQZUNYTJXFTPY-QYZOEREBSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)[C@H]2C1 ZINC000667328043 453560078 /nfs/dbraw/zinc/56/00/78/453560078.db2.gz CJQZUNYTJXFTPY-QYZOEREBSA-N 2 1 342.487 1.997 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000667330021 453562155 /nfs/dbraw/zinc/56/21/55/453562155.db2.gz WQLJKBIDLYTOSR-RBUKOAKNSA-N 2 1 340.471 1.917 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000660829806 453592746 /nfs/dbraw/zinc/59/27/46/453592746.db2.gz JLLVDZPZBIZHDM-HOTGVXAUSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000660829806 453592751 /nfs/dbraw/zinc/59/27/51/453592751.db2.gz JLLVDZPZBIZHDM-HOTGVXAUSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000660829806 453592757 /nfs/dbraw/zinc/59/27/57/453592757.db2.gz JLLVDZPZBIZHDM-HOTGVXAUSA-N 2 1 339.528 1.042 20 0 EDADMP [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@@H]3C[N@H+]4CCN3CCC4)cc21 ZINC000662907940 453597606 /nfs/dbraw/zinc/59/76/06/453597606.db2.gz RGMYNGIKWCDSJW-QZTJIDSGSA-N 2 1 342.487 1.185 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660851318 453609122 /nfs/dbraw/zinc/60/91/22/453609122.db2.gz YHVLMTYOAWHWEL-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H]1[C@H](CO)CCC[NH+]1CC1(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)COC1 ZINC000665270640 453630936 /nfs/dbraw/zinc/63/09/36/453630936.db2.gz KFXWIGRVZCYXMA-FZDBZEDMSA-N 2 1 340.508 1.189 20 0 EDADMP C[C@@H]1[C@H](CO)CCC[N@H+]1CC1(C[NH+]2CCC[C@H](CO)[C@@H]2C)COC1 ZINC000665270640 453630938 /nfs/dbraw/zinc/63/09/38/453630938.db2.gz KFXWIGRVZCYXMA-FZDBZEDMSA-N 2 1 340.508 1.189 20 0 EDADMP C[C@@H]1[C@H](CO)CCC[N@@H+]1CC1(C[NH+]2CCC[C@H](CO)[C@@H]2C)COC1 ZINC000665270640 453630941 /nfs/dbraw/zinc/63/09/41/453630941.db2.gz KFXWIGRVZCYXMA-FZDBZEDMSA-N 2 1 340.508 1.189 20 0 EDADMP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1-n1ccnn1 ZINC000665292684 453639503 /nfs/dbraw/zinc/63/95/03/453639503.db2.gz HLEKNISPEVVSIT-LLVKDONJSA-N 2 1 325.376 1.072 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1COC(C)(C)C1 ZINC000665409363 453684385 /nfs/dbraw/zinc/68/43/85/453684385.db2.gz FGQJCEMUGUERAT-HZPDHXFCSA-N 2 1 340.512 1.611 20 0 EDADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000659283793 453699614 /nfs/dbraw/zinc/69/96/14/453699614.db2.gz BGYQTFUQJGXMSU-CEXWTWQISA-N 2 1 343.471 1.981 20 0 EDADMP C[C@@H]1CN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C[C@H](C)[NH2+]1 ZINC000659295157 453705829 /nfs/dbraw/zinc/70/58/29/453705829.db2.gz BWLNLEMBZABNPB-OCAPTIKFSA-N 2 1 344.278 1.936 20 0 EDADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659309732 453710897 /nfs/dbraw/zinc/71/08/97/453710897.db2.gz NIBQUNQDGUUQIH-HZPDHXFCSA-N 2 1 325.416 1.128 20 0 EDADMP c1cn(C[C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)nn1 ZINC000661141364 453726634 /nfs/dbraw/zinc/72/66/34/453726634.db2.gz PWDWBWCNBMMKLE-IBGZPJMESA-N 2 1 341.459 1.632 20 0 EDADMP c1cn(C[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)nn1 ZINC000661141364 453726637 /nfs/dbraw/zinc/72/66/37/453726637.db2.gz PWDWBWCNBMMKLE-IBGZPJMESA-N 2 1 341.459 1.632 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000665554529 453745601 /nfs/dbraw/zinc/74/56/01/453745601.db2.gz NFDYXVSXGNDONV-HUUCEWRRSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+]1CC(C)(C)O ZINC000665554529 453745606 /nfs/dbraw/zinc/74/56/06/453745606.db2.gz NFDYXVSXGNDONV-HUUCEWRRSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+]1CC(C)(C)O ZINC000665554529 453745611 /nfs/dbraw/zinc/74/56/11/453745611.db2.gz NFDYXVSXGNDONV-HUUCEWRRSA-N 2 1 340.512 1.346 20 0 EDADMP COc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000663397359 453788742 /nfs/dbraw/zinc/78/87/42/453788742.db2.gz ARCOBOZMOZGZQS-HNNXBMFYSA-N 2 1 336.480 1.766 20 0 EDADMP COc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000663397359 453788745 /nfs/dbraw/zinc/78/87/45/453788745.db2.gz ARCOBOZMOZGZQS-HNNXBMFYSA-N 2 1 336.480 1.766 20 0 EDADMP c1nc(N[C@@H]2CC[NH+](C3CC3)C2)cc(N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000663425752 453794912 /nfs/dbraw/zinc/79/49/12/453794912.db2.gz SDEHSIVJTJLOGD-OKILXGFUSA-N 2 1 328.464 1.774 20 0 EDADMP c1nc(N[C@@H]2CC[N@@H+](C3CC3)C2)cc(N[C@H]2CC[NH+](C3CC3)C2)n1 ZINC000663425752 453794913 /nfs/dbraw/zinc/79/49/13/453794913.db2.gz SDEHSIVJTJLOGD-OKILXGFUSA-N 2 1 328.464 1.774 20 0 EDADMP c1nc(N[C@@H]2CC[N@H+](C3CC3)C2)cc(N[C@H]2CC[NH+](C3CC3)C2)n1 ZINC000663425752 453794914 /nfs/dbraw/zinc/79/49/14/453794914.db2.gz SDEHSIVJTJLOGD-OKILXGFUSA-N 2 1 328.464 1.774 20 0 EDADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3csc(NC4CC4)n3)C2)CC1 ZINC000676147332 486677552 /nfs/dbraw/zinc/67/75/52/486677552.db2.gz FXCFTVVDZVKSTQ-CYBMUJFWSA-N 2 1 349.504 1.616 20 0 EDADMP CN(CCC[N@H+](C)Cc1ccco1)c1nc(N2CCOCC2)cc[nH+]1 ZINC000672338402 486695116 /nfs/dbraw/zinc/69/51/16/486695116.db2.gz ZGWDDSOQPIIQMW-UHFFFAOYSA-N 2 1 345.447 1.865 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)c1nc(N2CCOCC2)cc[nH+]1 ZINC000672338402 486695120 /nfs/dbraw/zinc/69/51/20/486695120.db2.gz ZGWDDSOQPIIQMW-UHFFFAOYSA-N 2 1 345.447 1.865 20 0 EDADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000683378025 486700564 /nfs/dbraw/zinc/70/05/64/486700564.db2.gz DJLRFQOFZOSPLM-SJORKVTESA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676246658 486706831 /nfs/dbraw/zinc/70/68/31/486706831.db2.gz YJTIWVBFFMIFLK-BQJWPVKWSA-N 2 1 340.512 1.371 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676246658 486706834 /nfs/dbraw/zinc/70/68/34/486706834.db2.gz YJTIWVBFFMIFLK-BQJWPVKWSA-N 2 1 340.512 1.371 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676246658 486706838 /nfs/dbraw/zinc/70/68/38/486706838.db2.gz YJTIWVBFFMIFLK-BQJWPVKWSA-N 2 1 340.512 1.371 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676246658 486706841 /nfs/dbraw/zinc/70/68/41/486706841.db2.gz YJTIWVBFFMIFLK-BQJWPVKWSA-N 2 1 340.512 1.371 20 0 EDADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000672753962 486790541 /nfs/dbraw/zinc/79/05/41/486790541.db2.gz DBFKUSJTFCGKGS-DOTOQJQBSA-N 2 1 334.464 1.691 20 0 EDADMP CCn1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)n1 ZINC000667700085 486920853 /nfs/dbraw/zinc/92/08/53/486920853.db2.gz RDJPHGTUXAXXGY-HNNXBMFYSA-N 2 1 336.484 1.783 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000667784854 486963022 /nfs/dbraw/zinc/96/30/22/486963022.db2.gz BYWXYWIEWSPWJT-KRWDZBQOSA-N 2 1 332.448 1.735 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccnc(OC)c1 ZINC000667812752 486978383 /nfs/dbraw/zinc/97/83/83/486978383.db2.gz VXFHUKWUIKRLLN-KRWDZBQOSA-N 2 1 348.491 1.507 20 0 EDADMP CC[NH+]1CCN(c2cc(N3CC[N@H+](CC)[C@@H](C)C3)ncn2)C[C@H]1C ZINC000681236711 486985731 /nfs/dbraw/zinc/98/57/31/486985731.db2.gz SVRLRMOCSUKWJX-IYBDPMFKSA-N 2 1 332.496 1.537 20 0 EDADMP CC[NH+]1CCN(c2cc(N3CC[N@H+](CC)[C@H](C)C3)ncn2)C[C@@H]1C ZINC000681236711 486985736 /nfs/dbraw/zinc/98/57/36/486985736.db2.gz SVRLRMOCSUKWJX-IYBDPMFKSA-N 2 1 332.496 1.537 20 0 EDADMP CC[NH+]1CCN(c2cc(N3CC[N@@H+](CC)[C@H](C)C3)ncn2)C[C@@H]1C ZINC000681236711 486985740 /nfs/dbraw/zinc/98/57/40/486985740.db2.gz SVRLRMOCSUKWJX-IYBDPMFKSA-N 2 1 332.496 1.537 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000667843272 486990482 /nfs/dbraw/zinc/99/04/82/486990482.db2.gz ITFFWACFEZKQQP-QGZVFWFLSA-N 2 1 332.448 1.735 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000673673816 487088369 /nfs/dbraw/zinc/08/83/69/487088369.db2.gz YDCSYFVJUBGHON-SFHVURJKSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(NS(C)(=O)=O)c2)CCN1C ZINC000678277877 487279965 /nfs/dbraw/zinc/27/99/65/487279965.db2.gz GFKFDVDIBDGBPG-CJNGLKHVSA-N 2 1 325.478 1.973 20 0 EDADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(NS(C)(=O)=O)c2)CCN1C ZINC000678277877 487279968 /nfs/dbraw/zinc/27/99/68/487279968.db2.gz GFKFDVDIBDGBPG-CJNGLKHVSA-N 2 1 325.478 1.973 20 0 EDADMP CCC(=O)N1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000674911642 487356342 /nfs/dbraw/zinc/35/63/42/487356342.db2.gz KNTBLFHAVQIZMK-HXUWFJFHSA-N 2 1 345.487 1.614 20 0 EDADMP CCC(=O)N1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000674911642 487356345 /nfs/dbraw/zinc/35/63/45/487356345.db2.gz KNTBLFHAVQIZMK-HXUWFJFHSA-N 2 1 345.487 1.614 20 0 EDADMP COc1ccc2c(c1)[C@H](NCC(=O)N1CCN(C)CC1)CCS2 ZINC000682436793 487362881 /nfs/dbraw/zinc/36/28/81/487362881.db2.gz NZSUWQUCMRBPJQ-OAHLLOKOSA-N 2 1 335.473 1.596 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000679420279 487423881 /nfs/dbraw/zinc/42/38/81/487423881.db2.gz GUBICCKPGYRPOK-UHFFFAOYSA-N 2 1 344.503 1.648 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000669534039 485512151 /nfs/dbraw/zinc/51/21/51/485512151.db2.gz CPLQLFQIOBYOLK-QBPKDAKJSA-N 2 1 338.496 1.399 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)NCC3C[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000669554125 485553437 /nfs/dbraw/zinc/55/34/37/485553437.db2.gz GBAQZVRGMWPAGH-ZWKOTPCHSA-N 2 1 344.459 1.492 20 0 EDADMP [NH3+]CCCNC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000669557207 485561052 /nfs/dbraw/zinc/56/10/52/485561052.db2.gz YJKWRPKZNIHIGI-RCCFBDPRSA-N 2 1 330.476 1.935 20 0 EDADMP [NH3+]C/C=C\CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000669570238 485588677 /nfs/dbraw/zinc/58/86/77/485588677.db2.gz DMHOGLRYYBJXBW-YIEVGGLXSA-N 2 1 334.489 1.418 20 0 EDADMP [NH3+]C/C=C\CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000669570238 485588684 /nfs/dbraw/zinc/58/86/84/485588684.db2.gz DMHOGLRYYBJXBW-YIEVGGLXSA-N 2 1 334.489 1.418 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000669581527 485628003 /nfs/dbraw/zinc/62/80/03/485628003.db2.gz YUWCQTGNCWGLRF-XWTMOSNGSA-N 2 1 342.487 1.804 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)c1ccco1 ZINC000343296132 485930912 /nfs/dbraw/zinc/93/09/12/485930912.db2.gz MHMMDLUSFGONOA-NUJGCVRESA-N 2 1 349.475 1.745 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000668641945 485985790 /nfs/dbraw/zinc/98/57/90/485985790.db2.gz LDDQTFKDEPPRNM-UXLLHSPISA-N 2 1 346.475 1.834 20 0 EDADMP CCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(C)s2)CC1 ZINC000678772747 486061540 /nfs/dbraw/zinc/06/15/40/486061540.db2.gz PTDHYPDIOIZDPQ-UHFFFAOYSA-N 2 1 345.534 1.799 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000668750029 486149045 /nfs/dbraw/zinc/14/90/45/486149045.db2.gz LOJZUVDYSTXGRY-SFHVURJKSA-N 2 1 346.475 1.460 20 0 EDADMP [NH3+]C[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000669429688 486150894 /nfs/dbraw/zinc/15/08/94/486150894.db2.gz YLJPEZHHWVRHGA-CABCVRRESA-N 2 1 336.505 1.950 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)NC[C@@H](C)[NH3+])CC2)cs1 ZINC000669475368 486229190 /nfs/dbraw/zinc/22/91/90/486229190.db2.gz PDFUQRXYZIFYIT-GFCCVEGCSA-N 2 1 339.509 1.564 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000669483071 486248245 /nfs/dbraw/zinc/24/82/45/486248245.db2.gz NCEJEELBBIHFRX-JQHSSLGASA-N 2 1 346.475 1.409 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669498378 486274357 /nfs/dbraw/zinc/27/43/57/486274357.db2.gz KAMGEAWHAABFHY-IAGOWNOFSA-N 2 1 340.512 1.376 20 0 EDADMP C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000134971773 491226337 /nfs/dbraw/zinc/22/63/37/491226337.db2.gz MWFIYDUVNSZTNI-YJBOKZPZSA-N 2 1 331.460 1.731 20 0 EDADMP C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000134971773 491226340 /nfs/dbraw/zinc/22/63/40/491226340.db2.gz MWFIYDUVNSZTNI-YJBOKZPZSA-N 2 1 331.460 1.731 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cn1 ZINC000080151272 491171272 /nfs/dbraw/zinc/17/12/72/491171272.db2.gz VQSGIIDOKLDUAP-AWEZNQCLSA-N 2 1 334.424 1.462 20 0 EDADMP CCCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000165497003 527775882 /nfs/dbraw/zinc/77/58/82/527775882.db2.gz QLBDCCGFLGIKCB-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CSC[NH2+]1)c1cccc(OC)c1 ZINC000163966091 528277634 /nfs/dbraw/zinc/27/76/34/528277634.db2.gz QAGKJKLNDMSRHQ-HZPDHXFCSA-N 2 1 337.489 1.857 20 0 EDADMP CC(C)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C(C)C ZINC000153450162 528906026 /nfs/dbraw/zinc/90/60/26/528906026.db2.gz GFSXGWUEDLZCHW-QGZVFWFLSA-N 2 1 325.497 1.865 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCSC[C@@H](C)C2)C1 ZINC000249060602 535110298 /nfs/dbraw/zinc/11/02/98/535110298.db2.gz PEPCUPATXCNTOU-HOTGVXAUSA-N 2 1 343.537 1.144 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000249060602 535110302 /nfs/dbraw/zinc/11/03/02/535110302.db2.gz PEPCUPATXCNTOU-HOTGVXAUSA-N 2 1 343.537 1.144 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000249060602 535110306 /nfs/dbraw/zinc/11/03/06/535110306.db2.gz PEPCUPATXCNTOU-HOTGVXAUSA-N 2 1 343.537 1.144 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)CC[C@H]2C)C1 ZINC000076150024 535118617 /nfs/dbraw/zinc/11/86/17/535118617.db2.gz CZAPKEUITVQTKU-BRWVUGGUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](C)CC[C@H]2C)C1 ZINC000076150024 535118620 /nfs/dbraw/zinc/11/86/20/535118620.db2.gz CZAPKEUITVQTKU-BRWVUGGUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](C)CC[C@H]2C)C1 ZINC000076150024 535118625 /nfs/dbraw/zinc/11/86/25/535118625.db2.gz CZAPKEUITVQTKU-BRWVUGGUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000345677467 535122808 /nfs/dbraw/zinc/12/28/08/535122808.db2.gz ZHUDUKXQOONSAY-PKOBYXMFSA-N 2 1 347.503 1.980 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000345677467 535122811 /nfs/dbraw/zinc/12/28/11/535122811.db2.gz ZHUDUKXQOONSAY-PKOBYXMFSA-N 2 1 347.503 1.980 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000345677467 535122816 /nfs/dbraw/zinc/12/28/16/535122816.db2.gz ZHUDUKXQOONSAY-PKOBYXMFSA-N 2 1 347.503 1.980 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000340319722 535143382 /nfs/dbraw/zinc/14/33/82/535143382.db2.gz ZFTYJOGAUYNSHZ-UHFFFAOYSA-N 2 1 325.497 1.412 20 0 EDADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000332101505 535265532 /nfs/dbraw/zinc/26/55/32/535265532.db2.gz FBBORQRUODNBOW-JKSUJKDBSA-N 2 1 333.480 1.819 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000332101505 535265536 /nfs/dbraw/zinc/26/55/36/535265536.db2.gz FBBORQRUODNBOW-JKSUJKDBSA-N 2 1 333.480 1.819 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000236998251 535632384 /nfs/dbraw/zinc/63/23/84/535632384.db2.gz LKYIVSKQMLCXNV-UHFFFAOYSA-N 2 1 339.505 1.901 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000078588020 535645718 /nfs/dbraw/zinc/64/57/18/535645718.db2.gz FMWDZPSZVKQPCH-JKSUJKDBSA-N 2 1 328.501 1.373 20 0 EDADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000236939116 535652721 /nfs/dbraw/zinc/65/27/21/535652721.db2.gz NTKMQLLDLPOETM-SJLPKXTDSA-N 2 1 332.492 1.640 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)C2)nc1 ZINC000346801690 535690637 /nfs/dbraw/zinc/69/06/37/535690637.db2.gz BXVXRCWACWNVTM-GRDNDAEWSA-N 2 1 346.475 1.765 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)C2)nc1 ZINC000346801690 535690645 /nfs/dbraw/zinc/69/06/45/535690645.db2.gz BXVXRCWACWNVTM-GRDNDAEWSA-N 2 1 346.475 1.765 20 0 EDADMP CC[C@@H](Cn1cncn1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000353264089 535778058 /nfs/dbraw/zinc/77/80/58/535778058.db2.gz XEIOZJNGEVUWLT-ROUUACIJSA-N 2 1 329.448 1.283 20 0 EDADMP CC[C@@H](Cn1cncn1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000353264089 535778064 /nfs/dbraw/zinc/77/80/64/535778064.db2.gz XEIOZJNGEVUWLT-ROUUACIJSA-N 2 1 329.448 1.283 20 0 EDADMP CC[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000249073683 535843150 /nfs/dbraw/zinc/84/31/50/535843150.db2.gz QTDRHFROQKFNEO-XYVMCAHJSA-N 2 1 333.476 1.766 20 0 EDADMP CC[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000249073683 535843157 /nfs/dbraw/zinc/84/31/57/535843157.db2.gz QTDRHFROQKFNEO-XYVMCAHJSA-N 2 1 333.476 1.766 20 0 EDADMP C[NH2+][C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cnn(C)c1 ZINC000262440119 536335389 /nfs/dbraw/zinc/33/53/89/536335389.db2.gz UTJCVBMUCLSRIQ-QZTJIDSGSA-N 2 1 341.459 1.634 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)CC[C@H]21 ZINC000262804299 536379811 /nfs/dbraw/zinc/37/98/11/536379811.db2.gz PORIMHJHUOOWNC-HLLBOEOZSA-N 2 1 331.464 1.364 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1cnn(C)c1 ZINC000262585127 536382821 /nfs/dbraw/zinc/38/28/21/536382821.db2.gz VESNWANECCCFBE-HOTGVXAUSA-N 2 1 333.411 1.239 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)[N@H+](C)C1 ZINC000345858632 536773912 /nfs/dbraw/zinc/77/39/12/536773912.db2.gz BJFULGXWXIAAQZ-ZNMIVQPWSA-N 2 1 338.452 1.243 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)[N@@H+](C)C1 ZINC000345858632 536773918 /nfs/dbraw/zinc/77/39/18/536773918.db2.gz BJFULGXWXIAAQZ-ZNMIVQPWSA-N 2 1 338.452 1.243 20 0 EDADMP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1OC ZINC000261950116 536840638 /nfs/dbraw/zinc/84/06/38/536840638.db2.gz OFELAGDORKJNAL-GVDBMIGSSA-N 2 1 334.460 1.993 20 0 EDADMP Cc1ccc([C@H](CNC(=O)CC[NH+]2CCOCC2)[NH+]2CCCC2)o1 ZINC000725742323 578279198 /nfs/dbraw/zinc/27/91/98/578279198.db2.gz ONCVECPXBZLWRQ-INIZCTEOSA-N 2 1 335.448 1.563 20 0 EDADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000738056735 578478067 /nfs/dbraw/zinc/47/80/67/578478067.db2.gz QAOSMSPWFRXGJI-HUUCEWRRSA-N 2 1 336.480 1.861 20 0 EDADMP CC(C)[C@@H](C[NH+](C)C)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000733163116 578745302 /nfs/dbraw/zinc/74/53/02/578745302.db2.gz BQRVKVATYPJGFP-LJQANCHMSA-N 2 1 346.519 1.507 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000734276906 578804453 /nfs/dbraw/zinc/80/44/53/578804453.db2.gz UBEQGSPJMWWQEB-QGZVFWFLSA-N 2 1 338.496 1.413 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000745728923 579559952 /nfs/dbraw/zinc/55/99/52/579559952.db2.gz BUFMKIKFZAWQPY-INIZCTEOSA-N 2 1 342.553 1.293 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000745728923 579559954 /nfs/dbraw/zinc/55/99/54/579559954.db2.gz BUFMKIKFZAWQPY-INIZCTEOSA-N 2 1 342.553 1.293 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CCOC(C)C)CC1 ZINC000746394156 579591468 /nfs/dbraw/zinc/59/14/68/579591468.db2.gz NKVWRQUHMADGLY-MRXNPFEDSA-N 2 1 342.553 1.388 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CCOC(C)C)CC1 ZINC000746394156 579591469 /nfs/dbraw/zinc/59/14/69/579591469.db2.gz NKVWRQUHMADGLY-MRXNPFEDSA-N 2 1 342.553 1.388 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000751378469 579803657 /nfs/dbraw/zinc/80/36/57/579803657.db2.gz ADXIVIWTMDHNFE-UHFFFAOYSA-N 2 1 337.508 1.870 20 0 EDADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CC[NH+]1CCOCC1 ZINC000751382488 579803788 /nfs/dbraw/zinc/80/37/88/579803788.db2.gz PRYIQCTUSMBGJF-UHFFFAOYSA-N 2 1 337.439 1.438 20 0 EDADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000758456564 579982907 /nfs/dbraw/zinc/98/29/07/579982907.db2.gz TUIREELXNSWGIR-OIISXLGYSA-N 2 1 338.496 1.221 20 0 EDADMP C[NH+](C)CCNC(=S)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000763299735 580097215 /nfs/dbraw/zinc/09/72/15/580097215.db2.gz WNPRJXYDIZVUIP-HUUCEWRRSA-N 2 1 342.459 1.736 20 0 EDADMP C[NH+](C)CCNC(=S)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000763299735 580097216 /nfs/dbraw/zinc/09/72/16/580097216.db2.gz WNPRJXYDIZVUIP-HUUCEWRRSA-N 2 1 342.459 1.736 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@H](C)CO)cc2)CC1 ZINC000767471572 580190666 /nfs/dbraw/zinc/19/06/66/580190666.db2.gz YPFLRVNKONIHRJ-OAHLLOKOSA-N 2 1 334.464 1.080 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@H](C)CO)cc2)CC1 ZINC000767471572 580190667 /nfs/dbraw/zinc/19/06/67/580190667.db2.gz YPFLRVNKONIHRJ-OAHLLOKOSA-N 2 1 334.464 1.080 20 0 EDADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=S)NCC(C)(C)C[NH+](C)C ZINC000769766053 580244474 /nfs/dbraw/zinc/24/44/74/580244474.db2.gz IVQZNTOUBPJJLW-HNNXBMFYSA-N 2 1 343.585 1.064 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H](CCO)C2CC2)CC1 ZINC000771794745 580294236 /nfs/dbraw/zinc/29/42/36/580294236.db2.gz IIBBXMPHSAJNNF-QFBILLFUSA-N 2 1 345.487 1.642 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775385803 580389865 /nfs/dbraw/zinc/38/98/65/580389865.db2.gz NEVNUJRNGIJQJZ-KBUPBQIOSA-N 2 1 343.562 1.543 20 0 EDADMP COC(=O)Cc1ccccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000778951846 580476497 /nfs/dbraw/zinc/47/64/97/580476497.db2.gz XOUNFMWAAIAZII-UHFFFAOYSA-N 2 1 333.476 1.471 20 0 EDADMP COC(=O)c1coc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000779649768 580492835 /nfs/dbraw/zinc/49/28/35/580492835.db2.gz LDNPUYYZNXJAQK-CYBMUJFWSA-N 2 1 325.365 1.174 20 0 EDADMP COC(=O)c1coc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000779649768 580492836 /nfs/dbraw/zinc/49/28/36/580492836.db2.gz LDNPUYYZNXJAQK-CYBMUJFWSA-N 2 1 325.365 1.174 20 0 EDADMP CC(C)C[C@@H](C)N(C)C(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779656372 580493654 /nfs/dbraw/zinc/49/36/54/580493654.db2.gz XULREZWMEQKLRG-CABCVRRESA-N 2 1 342.484 1.487 20 0 EDADMP CC(C)C[C@@H](C)N(C)C(=O)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779656372 580493655 /nfs/dbraw/zinc/49/36/55/580493655.db2.gz XULREZWMEQKLRG-CABCVRRESA-N 2 1 342.484 1.487 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC000793952356 580861699 /nfs/dbraw/zinc/86/16/99/580861699.db2.gz CXYXTUFJDJIEJS-HBFSDRIKSA-N 2 1 343.471 1.034 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC000793952356 580861700 /nfs/dbraw/zinc/86/17/00/580861700.db2.gz CXYXTUFJDJIEJS-HBFSDRIKSA-N 2 1 343.471 1.034 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC000793952356 580861701 /nfs/dbraw/zinc/86/17/01/580861701.db2.gz CXYXTUFJDJIEJS-HBFSDRIKSA-N 2 1 343.471 1.034 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC000797530030 580977159 /nfs/dbraw/zinc/97/71/59/580977159.db2.gz NJKVANMTFFROAC-WMZOPIPTSA-N 2 1 331.460 1.428 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC000797530030 580977160 /nfs/dbraw/zinc/97/71/60/580977160.db2.gz NJKVANMTFFROAC-WMZOPIPTSA-N 2 1 331.460 1.428 20 0 EDADMP CC(C)[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000799135089 581018084 /nfs/dbraw/zinc/01/80/84/581018084.db2.gz ZCYFOVMLRIRUPB-SFHVURJKSA-N 2 1 336.480 1.574 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+](C[C@H](O)c2ccc(F)cc2)C2CC2)CC1 ZINC000801519087 581078877 /nfs/dbraw/zinc/07/88/77/581078877.db2.gz FIZWPKXQUREZCJ-SFHVURJKSA-N 2 1 349.450 1.488 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C2CC2)CC1 ZINC000801519087 581078878 /nfs/dbraw/zinc/07/88/78/581078878.db2.gz FIZWPKXQUREZCJ-SFHVURJKSA-N 2 1 349.450 1.488 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH2+]CCC23CCC3)CCCO1 ZINC000891854561 590656423 /nfs/dbraw/zinc/65/64/23/590656423.db2.gz CNQNASLWABYEMJ-MRXNPFEDSA-N 2 1 338.496 1.415 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC[NH2+]CC2)C1 ZINC000891961049 590709987 /nfs/dbraw/zinc/70/99/87/590709987.db2.gz FWSOISDQRMBJOS-SFHVURJKSA-N 2 1 346.475 1.247 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NC2CC[NH2+]CC2)C1 ZINC000891961049 590709989 /nfs/dbraw/zinc/70/99/89/590709989.db2.gz FWSOISDQRMBJOS-SFHVURJKSA-N 2 1 346.475 1.247 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)N[C@H]3CCC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000892020425 590753575 /nfs/dbraw/zinc/75/35/75/590753575.db2.gz XBQZUTNBQQZFGJ-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000892020425 590753579 /nfs/dbraw/zinc/75/35/79/590753579.db2.gz XBQZUTNBQQZFGJ-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000892020425 590753580 /nfs/dbraw/zinc/75/35/80/590753580.db2.gz XBQZUTNBQQZFGJ-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP C[N@@H+](CCCO)C1CCN([C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892045693 590769596 /nfs/dbraw/zinc/76/95/96/590769596.db2.gz ZRYSXGDHQRHIRA-JKSUJKDBSA-N 2 1 330.444 1.399 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)C2)cc1 ZINC000892169001 590839603 /nfs/dbraw/zinc/83/96/03/590839603.db2.gz HUWMOFSEZYWBGR-KURKYZTESA-N 2 1 330.476 1.996 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892235555 590878351 /nfs/dbraw/zinc/87/83/51/590878351.db2.gz WCZAWHKQNQQFEN-JJTUDDRGSA-N 2 1 342.455 1.804 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892235555 590878353 /nfs/dbraw/zinc/87/83/53/590878353.db2.gz WCZAWHKQNQQFEN-JJTUDDRGSA-N 2 1 342.455 1.804 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000892256776 590889524 /nfs/dbraw/zinc/88/95/24/590889524.db2.gz CMTJRDWWUWRANR-MRXNPFEDSA-N 2 1 342.447 1.811 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000892256776 590889526 /nfs/dbraw/zinc/88/95/26/590889526.db2.gz CMTJRDWWUWRANR-MRXNPFEDSA-N 2 1 342.447 1.811 20 0 EDADMP CCc1c[nH]c2nc[nH+]c(NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)c12 ZINC000892263465 590896839 /nfs/dbraw/zinc/89/68/39/590896839.db2.gz WHJVHKPGNXRMCO-AWEZNQCLSA-N 2 1 344.463 1.827 20 0 EDADMP CCc1c[nH]c2nc[nH+]c(NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)c12 ZINC000892263465 590896843 /nfs/dbraw/zinc/89/68/43/590896843.db2.gz WHJVHKPGNXRMCO-AWEZNQCLSA-N 2 1 344.463 1.827 20 0 EDADMP CN1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+](C)CC1 ZINC000888985417 590956017 /nfs/dbraw/zinc/95/60/17/590956017.db2.gz XJNBNLKUFIAKLN-SFHVURJKSA-N 2 1 332.492 1.385 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000893620506 591013569 /nfs/dbraw/zinc/01/35/69/591013569.db2.gz CRUFBLRRRHHULD-GDAAHCPNSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000893620506 591013573 /nfs/dbraw/zinc/01/35/73/591013573.db2.gz CRUFBLRRRHHULD-GDAAHCPNSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000893620506 591013576 /nfs/dbraw/zinc/01/35/76/591013576.db2.gz CRUFBLRRRHHULD-GDAAHCPNSA-N 2 1 342.487 1.852 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892496828 591049176 /nfs/dbraw/zinc/04/91/76/591049176.db2.gz MENXZJIPLQXOPM-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000893699214 591052297 /nfs/dbraw/zinc/05/22/97/591052297.db2.gz IFPVOMDFXBCIIU-IKGGRYGDSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000893699214 591052299 /nfs/dbraw/zinc/05/22/99/591052299.db2.gz IFPVOMDFXBCIIU-IKGGRYGDSA-N 2 1 338.496 1.413 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000892535343 591064192 /nfs/dbraw/zinc/06/41/92/591064192.db2.gz DECSXMYGYOGVNT-CGTJXYLNSA-N 2 1 346.475 1.327 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000892535343 591064197 /nfs/dbraw/zinc/06/41/97/591064197.db2.gz DECSXMYGYOGVNT-CGTJXYLNSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@@]12CN(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000892547445 591068099 /nfs/dbraw/zinc/06/80/99/591068099.db2.gz XSOMMMVIRYQXEY-PNYFIKQUSA-N 2 1 342.487 1.887 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000892564273 591073876 /nfs/dbraw/zinc/07/38/76/591073876.db2.gz BZTIHVLFPKVSHR-CALCHBBNSA-N 2 1 346.475 1.650 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892563200 591074038 /nfs/dbraw/zinc/07/40/38/591074038.db2.gz PZWFPDMNLBNCOZ-IAGOWNOFSA-N 2 1 343.487 1.627 20 0 EDADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000891461402 591079267 /nfs/dbraw/zinc/07/92/67/591079267.db2.gz MAYLYCGMKRTWHD-KFWWJZLASA-N 2 1 336.505 1.997 20 0 EDADMP CN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CCC[N@@H+](C)C1 ZINC000891534637 591111588 /nfs/dbraw/zinc/11/15/88/591111588.db2.gz NPHIBWRNEWKYKZ-ZWKOTPCHSA-N 2 1 332.492 1.895 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000891535535 591111650 /nfs/dbraw/zinc/11/16/50/591111650.db2.gz UFTZPJIVZVGLLK-WMZOPIPTSA-N 2 1 332.492 1.943 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000892687946 591131449 /nfs/dbraw/zinc/13/14/49/591131449.db2.gz ZEIXXPFAMHWYGS-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000891577871 591133253 /nfs/dbraw/zinc/13/32/53/591133253.db2.gz SVDRLIJRHAKLJR-PBHICJAKSA-N 2 1 326.485 1.114 20 0 EDADMP C[C@H](NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)OC(C)(C)C ZINC000892763582 591167346 /nfs/dbraw/zinc/16/73/46/591167346.db2.gz VBQGVDNAUJOSKW-AWEZNQCLSA-N 2 1 325.497 1.865 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892803380 591182957 /nfs/dbraw/zinc/18/29/57/591182957.db2.gz RLBUJQTUDBOYRM-GUDVDZBRSA-N 2 1 342.487 1.827 20 0 EDADMP [NH3+]CC1(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCCCC1 ZINC000891685902 591185636 /nfs/dbraw/zinc/18/56/36/591185636.db2.gz SJXYDBNNYLRVMA-CVEARBPZSA-N 2 1 338.496 1.591 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC([NH2+]C2CCC2)CC1 ZINC000892817560 591192734 /nfs/dbraw/zinc/19/27/34/591192734.db2.gz DZMHQCFHKXNHEE-DLBZAZTESA-N 2 1 336.480 1.166 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000891728657 591201231 /nfs/dbraw/zinc/20/12/31/591201231.db2.gz MUZYDHMGSQXQAH-GASCZTMLSA-N 2 1 328.501 1.563 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[NH+]3Cc3ccccc3)C[C@H]2C1 ZINC000893000138 591251199 /nfs/dbraw/zinc/25/11/99/591251199.db2.gz FMNICJIIJORHIL-OTWHNJEPSA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)C[C@H]2C1 ZINC000893000138 591251201 /nfs/dbraw/zinc/25/12/01/591251201.db2.gz FMNICJIIJORHIL-OTWHNJEPSA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)C[C@H]2C1 ZINC000893000138 591251203 /nfs/dbraw/zinc/25/12/03/591251203.db2.gz FMNICJIIJORHIL-OTWHNJEPSA-N 2 1 342.487 1.854 20 0 EDADMP O=C1NCCN1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895815118 591279761 /nfs/dbraw/zinc/27/97/61/591279761.db2.gz WZFLBJCEYBHCLU-FUHWJXTLSA-N 2 1 328.460 1.969 20 0 EDADMP O=C1NCCN1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895815118 591279763 /nfs/dbraw/zinc/27/97/63/591279763.db2.gz WZFLBJCEYBHCLU-FUHWJXTLSA-N 2 1 328.460 1.969 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895850795 591287752 /nfs/dbraw/zinc/28/77/52/591287752.db2.gz KYWJSKPYFUAXAP-IXDOHACOSA-N 2 1 336.480 1.118 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)C[C@H]2C1 ZINC000895899437 591299557 /nfs/dbraw/zinc/29/95/57/591299557.db2.gz KTARGHWKXYXZNS-KSZLIROESA-N 2 1 328.460 1.464 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)C[C@H]2C1 ZINC000895899437 591299558 /nfs/dbraw/zinc/29/95/58/591299558.db2.gz KTARGHWKXYXZNS-KSZLIROESA-N 2 1 328.460 1.464 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)C[C@H]2C1 ZINC000895899437 591299559 /nfs/dbraw/zinc/29/95/59/591299559.db2.gz KTARGHWKXYXZNS-KSZLIROESA-N 2 1 328.460 1.464 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC[NH+]1CC[C@H](C)C1)CCC(F)(F)F ZINC000894428420 591309453 /nfs/dbraw/zinc/30/94/53/591309453.db2.gz PEGTXBCCLDGUHH-ZDUSSCGKSA-N 2 1 338.418 1.902 20 0 EDADMP CC[NH+](CCNC(=O)NCC[N@@H+]1CC[C@H](C)C1)CCC(F)(F)F ZINC000894428420 591309457 /nfs/dbraw/zinc/30/94/57/591309457.db2.gz PEGTXBCCLDGUHH-ZDUSSCGKSA-N 2 1 338.418 1.902 20 0 EDADMP CC[NH+](CCNC(=O)NCC[N@H+]1CC[C@H](C)C1)CCC(F)(F)F ZINC000894428420 591309459 /nfs/dbraw/zinc/30/94/59/591309459.db2.gz PEGTXBCCLDGUHH-ZDUSSCGKSA-N 2 1 338.418 1.902 20 0 EDADMP Cn1ncc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1C1CC1 ZINC000894600172 591355357 /nfs/dbraw/zinc/35/53/57/591355357.db2.gz BBBJHTIMWFHVBB-UHFFFAOYSA-N 2 1 333.480 1.379 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000897481322 591487387 /nfs/dbraw/zinc/48/73/87/591487387.db2.gz CPFQSVZHQWZEEO-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H](CCNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000897589267 591571770 /nfs/dbraw/zinc/57/17/70/591571770.db2.gz INSSDKWBFLYKET-NXHRZFHOSA-N 2 1 332.492 1.971 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000898993408 591633249 /nfs/dbraw/zinc/63/32/49/591633249.db2.gz PTVUYHVMPUKHQY-XHSDSOJGSA-N 2 1 328.501 1.059 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000897738509 591657426 /nfs/dbraw/zinc/65/74/26/591657426.db2.gz CPQKHLQRAKEDLC-KRWDZBQOSA-N 2 1 329.444 1.050 20 0 EDADMP COc1cc2[nH+]c(N3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)nc(N)c2cc1OC ZINC000896915369 591678661 /nfs/dbraw/zinc/67/86/61/591678661.db2.gz WKBPMEJONHGIBR-BBATYDOGSA-N 2 1 343.431 1.617 20 0 EDADMP COc1cc2[nH+]c(N3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)nc(N)c2cc1OC ZINC000896915369 591678663 /nfs/dbraw/zinc/67/86/63/591678663.db2.gz WKBPMEJONHGIBR-BBATYDOGSA-N 2 1 343.431 1.617 20 0 EDADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898110104 591785531 /nfs/dbraw/zinc/78/55/31/591785531.db2.gz NZLGSYLRXOZYOV-QGZVFWFLSA-N 2 1 335.492 1.356 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)CCN1c1cc[nH+]cc1 ZINC000895558157 591801055 /nfs/dbraw/zinc/80/10/55/591801055.db2.gz RVXNYBVVCQPZEI-CQSZACIVSA-N 2 1 346.456 1.440 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000899952698 591839129 /nfs/dbraw/zinc/83/91/29/591839129.db2.gz OZKWVSGKYDHVFN-AEFFLSMTSA-N 2 1 337.508 1.747 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000899952698 591839134 /nfs/dbraw/zinc/83/91/34/591839134.db2.gz OZKWVSGKYDHVFN-AEFFLSMTSA-N 2 1 337.508 1.747 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000900273876 591976196 /nfs/dbraw/zinc/97/61/96/591976196.db2.gz FZKWTXXKIXXHMG-UHFFFAOYSA-N 2 1 336.524 1.393 20 0 EDADMP Cc1nc(NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2c([nH+]1)CCCC2 ZINC000900359470 591994631 /nfs/dbraw/zinc/99/46/31/591994631.db2.gz ASTCFGIQRFCDIT-CYBMUJFWSA-N 2 1 330.432 1.761 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CCC[C@@]([NH3+])(CO)C2)cc[nH+]1 ZINC000900375843 592000918 /nfs/dbraw/zinc/00/09/18/592000918.db2.gz MGNOTQJMQQWBQD-HFTRVMKXSA-N 2 1 349.479 1.382 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000900406555 592010115 /nfs/dbraw/zinc/01/01/15/592010115.db2.gz IYBHDQVVEDFYGR-GGPKGHCWSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000900406555 592010118 /nfs/dbraw/zinc/01/01/18/592010118.db2.gz IYBHDQVVEDFYGR-GGPKGHCWSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000900406555 592010121 /nfs/dbraw/zinc/01/01/21/592010121.db2.gz IYBHDQVVEDFYGR-GGPKGHCWSA-N 2 1 345.487 1.470 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900442344 592019482 /nfs/dbraw/zinc/01/94/82/592019482.db2.gz QDKAZLDYUFMORR-DLBZAZTESA-N 2 1 342.443 1.884 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000900589649 592061039 /nfs/dbraw/zinc/06/10/39/592061039.db2.gz YPQJEVJBRCAOFT-UHFFFAOYSA-N 2 1 338.540 1.783 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000900589649 592061041 /nfs/dbraw/zinc/06/10/41/592061041.db2.gz YPQJEVJBRCAOFT-UHFFFAOYSA-N 2 1 338.540 1.783 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000900589649 592061043 /nfs/dbraw/zinc/06/10/43/592061043.db2.gz YPQJEVJBRCAOFT-UHFFFAOYSA-N 2 1 338.540 1.783 20 0 EDADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)c1 ZINC000900662643 592084781 /nfs/dbraw/zinc/08/47/81/592084781.db2.gz PMXRHKZNCGSZLP-MAUKXSAKSA-N 2 1 335.448 1.411 20 0 EDADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)c1 ZINC000900662643 592084783 /nfs/dbraw/zinc/08/47/83/592084783.db2.gz PMXRHKZNCGSZLP-MAUKXSAKSA-N 2 1 335.448 1.411 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000900687126 592094775 /nfs/dbraw/zinc/09/47/75/592094775.db2.gz QVJQACSTQLYOOW-INIZCTEOSA-N 2 1 339.480 1.062 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000900708285 592100719 /nfs/dbraw/zinc/10/07/19/592100719.db2.gz IDQDGNZOEMABPK-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP CC1CCC([NH+]2CCN(C(=O)C[C@@]3(O)CCC[N@@H+](C)C3)CC2)CC1 ZINC000900732679 592111957 /nfs/dbraw/zinc/11/19/57/592111957.db2.gz VQQKUPPFKZIXPX-TVPLGVNVSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903091137 592118536 /nfs/dbraw/zinc/11/85/36/592118536.db2.gz NSVGJMSNFHMMJH-SOUVJXGZSA-N 2 1 339.480 1.885 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903091137 592118537 /nfs/dbraw/zinc/11/85/37/592118537.db2.gz NSVGJMSNFHMMJH-SOUVJXGZSA-N 2 1 339.480 1.885 20 0 EDADMP Cc1ccc(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c(OCC[NH+](C)C)c1 ZINC000900782666 592122112 /nfs/dbraw/zinc/12/21/12/592122112.db2.gz IZAOWWACLFSAPW-IBGZPJMESA-N 2 1 349.475 1.721 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCO[C@@]34CCOC4)cc2)C1 ZINC000903200394 592134374 /nfs/dbraw/zinc/13/43/74/592134374.db2.gz RRODTWPPVCYLPG-CEXWTWQISA-N 2 1 332.444 1.291 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000900832199 592140634 /nfs/dbraw/zinc/14/06/34/592140634.db2.gz OJBQMEBZEOZMNV-CABCVRRESA-N 2 1 341.496 1.354 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000900832199 592140636 /nfs/dbraw/zinc/14/06/36/592140636.db2.gz OJBQMEBZEOZMNV-CABCVRRESA-N 2 1 341.496 1.354 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCN(C(C)C)CC2)C[C@H]1C ZINC000900801409 592142205 /nfs/dbraw/zinc/14/22/05/592142205.db2.gz QSJQMOHNYGPULK-MSOLQXFVSA-N 2 1 338.540 1.734 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCN(C(C)C)CC2)C[C@H]1C ZINC000900801409 592142208 /nfs/dbraw/zinc/14/22/08/592142208.db2.gz QSJQMOHNYGPULK-MSOLQXFVSA-N 2 1 338.540 1.734 20 0 EDADMP Cc1cc2c(ncnc2N2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)s1 ZINC000903457061 592174384 /nfs/dbraw/zinc/17/43/84/592174384.db2.gz MFRNJBXPNNCUHC-OCCSQVGLSA-N 2 1 331.489 1.977 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCOc1cc(C)cc(C)c1)C2 ZINC000903491957 592184994 /nfs/dbraw/zinc/18/49/94/592184994.db2.gz HOANMMCQQJPDNH-FCEWJHQRSA-N 2 1 332.444 1.895 20 0 EDADMP C[C@H]1CCCN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC000903506979 592198838 /nfs/dbraw/zinc/19/88/38/592198838.db2.gz HSCSBRLOCKYGLI-RYQLBKOJSA-N 2 1 334.508 1.146 20 0 EDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000904340674 592234474 /nfs/dbraw/zinc/23/44/74/592234474.db2.gz BJFGKZYWBMNWTO-BIMULSAOSA-N 2 1 326.238 1.645 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906656154 592238057 /nfs/dbraw/zinc/23/80/57/592238057.db2.gz QOFMYVWXXQCODQ-CQSZACIVSA-N 2 1 332.448 1.274 20 0 EDADMP CCc1ccc([C@H]2CN(C(=O)C[C@]3(O)CCC[N@H+](C)C3)CC[NH2+]2)cc1 ZINC000908011300 592262609 /nfs/dbraw/zinc/26/26/09/592262609.db2.gz AQBLCCQEUIICMU-UYAOXDASSA-N 2 1 345.487 1.569 20 0 EDADMP CCc1ccc([C@H]2CN(C(=O)C[C@]3(O)CCC[N@@H+](C)C3)CC[NH2+]2)cc1 ZINC000908011300 592262610 /nfs/dbraw/zinc/26/26/10/592262610.db2.gz AQBLCCQEUIICMU-UYAOXDASSA-N 2 1 345.487 1.569 20 0 EDADMP CCn1nc(C)c(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)c1C ZINC000904454447 592264543 /nfs/dbraw/zinc/26/45/43/592264543.db2.gz VYZLGZXHCJQIOI-INIZCTEOSA-N 2 1 329.448 1.945 20 0 EDADMP O=C(Nc1cccc2c1CC[NH2+]C2)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904506040 592273551 /nfs/dbraw/zinc/27/35/51/592273551.db2.gz IGLDYARPFAKSTA-ZWKOTPCHSA-N 2 1 344.459 1.395 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)c1 ZINC000904509772 592273678 /nfs/dbraw/zinc/27/36/78/592273678.db2.gz KYIRZTNMQYBDKT-UHFFFAOYSA-N 2 1 333.480 1.507 20 0 EDADMP CC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCN(c2ccccc2)C1=O ZINC000903729082 592285843 /nfs/dbraw/zinc/28/58/43/592285843.db2.gz JQDSOKFRKUCJFT-BJLQDIEVSA-N 2 1 343.471 1.882 20 0 EDADMP CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903730834 592287466 /nfs/dbraw/zinc/28/74/66/592287466.db2.gz ZXGIBHBTUGXDPE-TXPKVOOTSA-N 2 1 337.508 1.629 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903739015 592300959 /nfs/dbraw/zinc/30/09/59/592300959.db2.gz AVVDHCVQVMLRHW-AEFFLSMTSA-N 3 1 339.524 1.170 20 0 EDADMP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C12CC[NH+](CC1)C2 ZINC000901243088 592301516 /nfs/dbraw/zinc/30/15/16/592301516.db2.gz XAEKCZIEDOBEID-ROUUACIJSA-N 2 1 343.471 1.081 20 0 EDADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903739921 592302130 /nfs/dbraw/zinc/30/21/30/592302130.db2.gz BBRBSAKYUAULOM-SCTDSRPQSA-N 2 1 330.476 1.892 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903739921 592302136 /nfs/dbraw/zinc/30/21/36/592302136.db2.gz BBRBSAKYUAULOM-SCTDSRPQSA-N 3 1 330.476 1.892 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903739921 592302141 /nfs/dbraw/zinc/30/21/41/592302141.db2.gz BBRBSAKYUAULOM-SCTDSRPQSA-N 3 1 330.476 1.892 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1ccccc1C[NH3+] ZINC000904662170 592308717 /nfs/dbraw/zinc/30/87/17/592308717.db2.gz WZFQFEABTMMZET-UHFFFAOYSA-N 2 1 333.480 1.635 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1C[NH3+] ZINC000904662170 592308722 /nfs/dbraw/zinc/30/87/22/592308722.db2.gz WZFQFEABTMMZET-UHFFFAOYSA-N 2 1 333.480 1.635 20 0 EDADMP C(C[N@@H+](CC1CC1)C[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCOCC1 ZINC000903765277 592308835 /nfs/dbraw/zinc/30/88/35/592308835.db2.gz GJDIINOQFBJFPY-GOSISDBHSA-N 2 1 337.508 1.189 20 0 EDADMP CC(=O)N(C[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903755277 592314097 /nfs/dbraw/zinc/31/40/97/592314097.db2.gz DQNAWZJTAYHXOZ-QZTJIDSGSA-N 2 1 335.492 1.620 20 0 EDADMP CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903777669 592319492 /nfs/dbraw/zinc/31/94/92/592319492.db2.gz CBFOUZDNMYBTLK-HZPDHXFCSA-N 2 1 335.452 1.191 20 0 EDADMP CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903777669 592319496 /nfs/dbraw/zinc/31/94/96/592319496.db2.gz CBFOUZDNMYBTLK-HZPDHXFCSA-N 2 1 335.452 1.191 20 0 EDADMP [NH3+]CC1([C@H]2CCCC[N@H+]2[C@@H]2CCN(C3CCOCC3)C2=O)CCC1 ZINC000903814614 592324014 /nfs/dbraw/zinc/32/40/14/592324014.db2.gz NTFMMDQSUSSOKM-IAGOWNOFSA-N 2 1 335.492 1.750 20 0 EDADMP O=C(CC[N@H+]1CC[NH2+]CCC12CCOCC2)Nc1ccccc1F ZINC000903815660 592324093 /nfs/dbraw/zinc/32/40/93/592324093.db2.gz OBJKJCWPVCUIJU-UHFFFAOYSA-N 2 1 335.423 1.999 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000903832305 592337237 /nfs/dbraw/zinc/33/72/37/592337237.db2.gz PUECCDATMWIMJY-ULQDDVLXSA-N 2 1 331.485 1.938 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCCOc1ccc(Cl)cc1)C2 ZINC000903847624 592344504 /nfs/dbraw/zinc/34/45/04/592344504.db2.gz LHZSTMFIHOQOQR-QEJZJMRPSA-N 2 1 337.851 1.647 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCCOc1ccc(Cl)cc1)C2 ZINC000903847624 592344510 /nfs/dbraw/zinc/34/45/10/592344510.db2.gz LHZSTMFIHOQOQR-QEJZJMRPSA-N 2 1 337.851 1.647 20 0 EDADMP Cc1nc(C[C@H]2CCC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000903890707 592352365 /nfs/dbraw/zinc/35/23/65/592352365.db2.gz GNKDVHNEKVYFQY-HUUCEWRRSA-N 2 1 345.451 1.349 20 0 EDADMP Cc1nc(C[C@H]2CCC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000903890707 592352369 /nfs/dbraw/zinc/35/23/69/592352369.db2.gz GNKDVHNEKVYFQY-HUUCEWRRSA-N 2 1 345.451 1.349 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cnn1C ZINC000903886357 592363528 /nfs/dbraw/zinc/36/35/28/592363528.db2.gz QUKPHSBVLVCDMT-SJORKVTESA-N 2 1 347.507 1.084 20 0 EDADMP Cc1cnn([C@@H]2CCC[N@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)c1 ZINC000903893280 592365737 /nfs/dbraw/zinc/36/57/37/592365737.db2.gz UIXILZNTAGNSKJ-SJLPKXTDSA-N 2 1 330.480 1.688 20 0 EDADMP CN1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000903903056 592372156 /nfs/dbraw/zinc/37/21/56/592372156.db2.gz DXVYFPVVIKBHPS-INIZCTEOSA-N 2 1 326.448 1.655 20 0 EDADMP CN1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000903903056 592372161 /nfs/dbraw/zinc/37/21/61/592372161.db2.gz DXVYFPVVIKBHPS-INIZCTEOSA-N 2 1 326.448 1.655 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+](CCC[NH3+])Cc2ccccc2)cnn1C ZINC000903905514 592372648 /nfs/dbraw/zinc/37/26/48/592372648.db2.gz IBBODLRAXGSVLQ-SFHVURJKSA-N 3 1 329.492 1.697 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](CCC[NH3+])Cc2ccccc2)cnn1C ZINC000903905514 592372651 /nfs/dbraw/zinc/37/26/51/592372651.db2.gz IBBODLRAXGSVLQ-SFHVURJKSA-N 3 1 329.492 1.697 20 0 EDADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903913123 592375716 /nfs/dbraw/zinc/37/57/16/592375716.db2.gz NEEVENZZXGILHL-PTGCCPEKSA-N 2 1 347.507 1.964 20 0 EDADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903913122 592376330 /nfs/dbraw/zinc/37/63/30/592376330.db2.gz NEEVENZZXGILHL-FDMITFGQSA-N 2 1 347.507 1.964 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cnn1C ZINC000903931171 592383377 /nfs/dbraw/zinc/38/33/77/592383377.db2.gz ADDCQGNPKMQVDY-OWYHZJEWSA-N 3 1 349.523 1.207 20 0 EDADMP Cc1cc([C@@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000903917942 592390355 /nfs/dbraw/zinc/39/03/55/592390355.db2.gz PCIRFOUXMNSRBH-CABCVRRESA-N 2 1 329.452 1.614 20 0 EDADMP Cc1cc([C@@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000903917942 592390366 /nfs/dbraw/zinc/39/03/66/592390366.db2.gz PCIRFOUXMNSRBH-CABCVRRESA-N 2 1 329.452 1.614 20 0 EDADMP Cc1cc([C@@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000903917942 592390370 /nfs/dbraw/zinc/39/03/70/592390370.db2.gz PCIRFOUXMNSRBH-CABCVRRESA-N 2 1 329.452 1.614 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905061750 592397674 /nfs/dbraw/zinc/39/76/74/592397674.db2.gz IJVWXEWAZHGMCD-INIZCTEOSA-N 2 1 330.432 1.721 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000903978208 592399629 /nfs/dbraw/zinc/39/96/29/592399629.db2.gz AAWMYOCQNZBFKP-DGCLKSJQSA-N 2 1 337.361 1.550 20 0 EDADMP C[N@H+]1CC[C@H](Cc2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)C1 ZINC000904019998 592409303 /nfs/dbraw/zinc/40/93/03/592409303.db2.gz LKJWEVMUJKXQMV-CQSZACIVSA-N 2 1 342.447 1.378 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4C[NH2+]CC4(C)C)n3)cn2)CC1 ZINC000904100337 592426078 /nfs/dbraw/zinc/42/60/78/592426078.db2.gz BOWJRLIYMGLPDP-AWEZNQCLSA-N 2 1 342.447 1.596 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc([C@@H]4C[C@@H]4C[NH3+])n3)cn2)CC1 ZINC000904103192 592426705 /nfs/dbraw/zinc/42/67/05/592426705.db2.gz QTIQAWAQJXALEW-ZIAGYGMSSA-N 2 1 328.420 1.336 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)CC2(O)CCCCC2)CCCO1 ZINC000905229306 592458390 /nfs/dbraw/zinc/45/83/90/592458390.db2.gz AMFGSLYVRYADGC-SJORKVTESA-N 2 1 328.497 1.523 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000908424326 592490320 /nfs/dbraw/zinc/49/03/20/592490320.db2.gz YKVGIUNJWGOGME-IBGZPJMESA-N 2 1 336.524 1.347 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000908424326 592490321 /nfs/dbraw/zinc/49/03/21/592490321.db2.gz YKVGIUNJWGOGME-IBGZPJMESA-N 2 1 336.524 1.347 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000908424326 592490322 /nfs/dbraw/zinc/49/03/22/592490322.db2.gz YKVGIUNJWGOGME-IBGZPJMESA-N 2 1 336.524 1.347 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000908538023 592529519 /nfs/dbraw/zinc/52/95/19/592529519.db2.gz QGZRDIAICLZCIG-LJQANCHMSA-N 2 1 336.524 1.347 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000908538023 592529522 /nfs/dbraw/zinc/52/95/22/592529522.db2.gz QGZRDIAICLZCIG-LJQANCHMSA-N 2 1 336.524 1.347 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000908538023 592529525 /nfs/dbraw/zinc/52/95/25/592529525.db2.gz QGZRDIAICLZCIG-LJQANCHMSA-N 2 1 336.524 1.347 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000908542414 592531521 /nfs/dbraw/zinc/53/15/21/592531521.db2.gz ZXFHTJRKQPMMCQ-QGZVFWFLSA-N 2 1 344.459 1.867 20 0 EDADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000905508431 592547912 /nfs/dbraw/zinc/54/79/12/592547912.db2.gz IJKKZWJMRLRNTB-IIAWOOMASA-N 2 1 341.496 1.534 20 0 EDADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905508431 592547914 /nfs/dbraw/zinc/54/79/14/592547914.db2.gz IJKKZWJMRLRNTB-IIAWOOMASA-N 2 1 341.496 1.534 20 0 EDADMP CN(C)c1cc[nH+]c(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000905524195 592560934 /nfs/dbraw/zinc/56/09/34/592560934.db2.gz GIBAUHSGCZIQKE-HXUWFJFHSA-N 2 1 340.471 1.656 20 0 EDADMP CC(C)O[C@@]1(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CCOC1 ZINC000905559537 592566119 /nfs/dbraw/zinc/56/61/19/592566119.db2.gz XWEFXZZCOABCRG-RTBURBONSA-N 2 1 336.476 1.653 20 0 EDADMP CC(C)O[C@@]1(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CCOC1 ZINC000905559537 592566120 /nfs/dbraw/zinc/56/61/20/592566120.db2.gz XWEFXZZCOABCRG-RTBURBONSA-N 2 1 336.476 1.653 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000907493557 592671947 /nfs/dbraw/zinc/67/19/47/592671947.db2.gz RTOVXRQWRNUTQW-UHFFFAOYSA-N 2 1 338.540 1.641 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)C1 ZINC000907559470 592708781 /nfs/dbraw/zinc/70/87/81/592708781.db2.gz LTGWIUAGCUPKBR-UXLLHSPISA-N 2 1 334.464 1.878 20 0 EDADMP C[C@H](CNC(=O)C1CN(C)CC[NH+](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000906029117 592720525 /nfs/dbraw/zinc/72/05/25/592720525.db2.gz HMAZPLRRHSRKIW-MRXNPFEDSA-N 2 1 344.503 1.043 20 0 EDADMP C[C@H](CNC(=O)C1CN(C)CC[NH+](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000906029117 592720529 /nfs/dbraw/zinc/72/05/29/592720529.db2.gz HMAZPLRRHSRKIW-MRXNPFEDSA-N 2 1 344.503 1.043 20 0 EDADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)C2CN(C)CC[N@@H+](C)C2)c1 ZINC000906559371 592844633 /nfs/dbraw/zinc/84/46/33/592844633.db2.gz ZUKFPSTVAGJOMM-UHFFFAOYSA-N 2 1 346.519 1.379 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906658316 592864666 /nfs/dbraw/zinc/86/46/66/592864666.db2.gz XQFMTQLBDYPXKR-HNNXBMFYSA-N 2 1 341.415 1.280 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000910864716 592897963 /nfs/dbraw/zinc/89/79/63/592897963.db2.gz ROAIUGISFAIPRX-UHFFFAOYSA-N 2 1 325.497 1.412 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911738902 592993756 /nfs/dbraw/zinc/99/37/56/592993756.db2.gz NVJJBENMIBADRU-TVQRCGJNSA-N 2 1 342.237 1.265 20 0 EDADMP CC[C@@H](C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C ZINC000911892341 593032070 /nfs/dbraw/zinc/03/20/70/593032070.db2.gz KBMASEZRIVDDJA-GBESFXJTSA-N 2 1 345.487 1.829 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH+](C)[C@H](C(C)(C)C)C1 ZINC000912027664 593049506 /nfs/dbraw/zinc/04/95/06/593049506.db2.gz UBUMYAWTOJFNOC-INIZCTEOSA-N 2 1 343.512 1.160 20 0 EDADMP COCCOCC[NH+](C)CCC(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000912027664 593049508 /nfs/dbraw/zinc/04/95/08/593049508.db2.gz UBUMYAWTOJFNOC-INIZCTEOSA-N 2 1 343.512 1.160 20 0 EDADMP COCCOCC[NH+](C)CCC(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000912027664 593049509 /nfs/dbraw/zinc/04/95/09/593049509.db2.gz UBUMYAWTOJFNOC-INIZCTEOSA-N 2 1 343.512 1.160 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000912049736 593056908 /nfs/dbraw/zinc/05/69/08/593056908.db2.gz WLBONNIXSNNXNE-NCOADZHNSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000912049736 593056909 /nfs/dbraw/zinc/05/69/09/593056909.db2.gz WLBONNIXSNNXNE-NCOADZHNSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000912049736 593056910 /nfs/dbraw/zinc/05/69/10/593056910.db2.gz WLBONNIXSNNXNE-NCOADZHNSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000912049736 593056911 /nfs/dbraw/zinc/05/69/11/593056911.db2.gz WLBONNIXSNNXNE-NCOADZHNSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000810407511 593399477 /nfs/dbraw/zinc/39/94/77/593399477.db2.gz SWOYVVZGMMBFMB-YJBOKZPZSA-N 2 1 346.475 1.514 20 0 EDADMP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000758326398 593400794 /nfs/dbraw/zinc/40/07/94/593400794.db2.gz ZQVBBZVHGGBIHY-WMZOPIPTSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000758326398 593400795 /nfs/dbraw/zinc/40/07/95/593400795.db2.gz ZQVBBZVHGGBIHY-WMZOPIPTSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H]1CN(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C(=O)[C@H]1C ZINC000840045690 593412991 /nfs/dbraw/zinc/41/29/91/593412991.db2.gz GEASXIXUNNZGOT-IRXDYDNUSA-N 2 1 336.524 1.408 20 0 EDADMP C[C@@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C1=CC[N@@H+](C)CC1 ZINC000819220265 593745196 /nfs/dbraw/zinc/74/51/96/593745196.db2.gz KZNOGIQZPWOLPQ-HIFRSBDPSA-N 2 1 327.469 1.502 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1(C)C ZINC000819287959 593748471 /nfs/dbraw/zinc/74/84/71/593748471.db2.gz SPXUCOSGHAEORV-MRXNPFEDSA-N 2 1 327.419 1.614 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)c2ccc(F)cc2F)CC1(C)C ZINC000819286826 593748533 /nfs/dbraw/zinc/74/85/33/593748533.db2.gz KQPYMXKSQBMTKY-INIZCTEOSA-N 2 1 327.419 1.614 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821624957 593885966 /nfs/dbraw/zinc/88/59/66/593885966.db2.gz BHAHLOXUAYJTIB-GDBMZVCRSA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821624957 593885967 /nfs/dbraw/zinc/88/59/67/593885967.db2.gz BHAHLOXUAYJTIB-GDBMZVCRSA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821624957 593885969 /nfs/dbraw/zinc/88/59/69/593885969.db2.gz BHAHLOXUAYJTIB-GDBMZVCRSA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000824009333 593907081 /nfs/dbraw/zinc/90/70/81/593907081.db2.gz MGINBPMMNZWYMI-GOSISDBHSA-N 2 1 345.487 1.483 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000824009333 593907083 /nfs/dbraw/zinc/90/70/83/593907083.db2.gz MGINBPMMNZWYMI-GOSISDBHSA-N 2 1 345.487 1.483 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000824009334 593907168 /nfs/dbraw/zinc/90/71/68/593907168.db2.gz MGINBPMMNZWYMI-SFHVURJKSA-N 2 1 345.487 1.483 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000824009334 593907169 /nfs/dbraw/zinc/90/71/69/593907169.db2.gz MGINBPMMNZWYMI-SFHVURJKSA-N 2 1 345.487 1.483 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC000824171387 593945594 /nfs/dbraw/zinc/94/55/94/593945594.db2.gz ATTHUYGTGKVIOX-LJQANCHMSA-N 2 1 343.427 1.528 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC000824171387 593945597 /nfs/dbraw/zinc/94/55/97/593945597.db2.gz ATTHUYGTGKVIOX-LJQANCHMSA-N 2 1 343.427 1.528 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821159268 593978575 /nfs/dbraw/zinc/97/85/75/593978575.db2.gz ABPUPEDGPIFDHU-CJNGLKHVSA-N 2 1 330.436 1.174 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821159268 593978576 /nfs/dbraw/zinc/97/85/76/593978576.db2.gz ABPUPEDGPIFDHU-CJNGLKHVSA-N 2 1 330.436 1.174 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821159268 593978577 /nfs/dbraw/zinc/97/85/77/593978577.db2.gz ABPUPEDGPIFDHU-CJNGLKHVSA-N 2 1 330.436 1.174 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821159268 593978578 /nfs/dbraw/zinc/97/85/78/593978578.db2.gz ABPUPEDGPIFDHU-CJNGLKHVSA-N 2 1 330.436 1.174 20 0 EDADMP C[NH+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC1)C2 ZINC000821323775 594017163 /nfs/dbraw/zinc/01/71/63/594017163.db2.gz HATJCVGEAPFYKU-XNHLSEOASA-N 2 1 334.508 1.098 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000821323775 594017165 /nfs/dbraw/zinc/01/71/65/594017165.db2.gz HATJCVGEAPFYKU-XNHLSEOASA-N 2 1 334.508 1.098 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000821323775 594017168 /nfs/dbraw/zinc/01/71/68/594017168.db2.gz HATJCVGEAPFYKU-XNHLSEOASA-N 2 1 334.508 1.098 20 0 EDADMP CN(c1ccccc1C[N@H+]1CCCN(C=O)CC1)C1CC[NH+](C)CC1 ZINC000827872302 594293935 /nfs/dbraw/zinc/29/39/35/594293935.db2.gz UOHCKTDTXXAVRZ-UHFFFAOYSA-N 2 1 344.503 1.881 20 0 EDADMP c1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000826514582 594513463 /nfs/dbraw/zinc/51/34/63/594513463.db2.gz WBQJRSMOQDTGBH-LSDHHAIUSA-N 2 1 328.420 1.462 20 0 EDADMP Cc1cccc(CN2CCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000826555360 594524223 /nfs/dbraw/zinc/52/42/23/594524223.db2.gz BBYRIYCVCBCFJS-MSOLQXFVSA-N 2 1 331.460 1.264 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829227982 594584687 /nfs/dbraw/zinc/58/46/87/594584687.db2.gz IJBOKCZDAFFEOD-INIZCTEOSA-N 2 1 348.491 1.967 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000827311010 594660155 /nfs/dbraw/zinc/66/01/55/594660155.db2.gz NSJYPKFDYHUBGH-FGTMMUONSA-N 2 1 337.508 1.676 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000827311010 594660156 /nfs/dbraw/zinc/66/01/56/594660156.db2.gz NSJYPKFDYHUBGH-FGTMMUONSA-N 2 1 337.508 1.676 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCC[NH+]2C)CCOCC1 ZINC000831584695 594685461 /nfs/dbraw/zinc/68/54/61/594685461.db2.gz DBELKHAIFWEBEI-SFHVURJKSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC000831584695 594685462 /nfs/dbraw/zinc/68/54/62/594685462.db2.gz DBELKHAIFWEBEI-SFHVURJKSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC000831584695 594685463 /nfs/dbraw/zinc/68/54/63/594685463.db2.gz DBELKHAIFWEBEI-SFHVURJKSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000840754687 594815073 /nfs/dbraw/zinc/81/50/73/594815073.db2.gz OCATWUBQSSDCGR-KRWDZBQOSA-N 2 1 326.554 1.866 20 0 EDADMP C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)CC1CC[NH+](C)CC1 ZINC000104084905 594835631 /nfs/dbraw/zinc/83/56/31/594835631.db2.gz XIOAMCXMEKJVRV-UHFFFAOYSA-N 2 1 329.444 1.946 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2nccn2-c2ccccc2)C1 ZINC000842039430 595007581 /nfs/dbraw/zinc/00/75/81/595007581.db2.gz OIRQRGVTTKKPTE-INIZCTEOSA-N 2 1 343.431 1.980 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2nccn2-c2ccccc2)C1 ZINC000842039430 595007585 /nfs/dbraw/zinc/00/75/85/595007585.db2.gz OIRQRGVTTKKPTE-INIZCTEOSA-N 2 1 343.431 1.980 20 0 EDADMP CC[NH+]1CCN(c2ccc(-c3noc(C[C@H](C)[NH3+])n3)cc2F)CC1 ZINC000843204959 595033887 /nfs/dbraw/zinc/03/38/87/595033887.db2.gz KCKKLWCRPKCNHE-LBPRGKRZSA-N 2 1 333.411 1.907 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842514032 595124456 /nfs/dbraw/zinc/12/44/56/595124456.db2.gz ZIRWWYKCGQKBHO-PKOBYXMFSA-N 2 1 328.460 1.648 20 0 EDADMP CO[C@@H](C)c1noc(CN2CCC[N@@H+](CCCCCC[NH3+])CC2)n1 ZINC000846220045 595177232 /nfs/dbraw/zinc/17/72/32/595177232.db2.gz JZURMMCFNHAVEU-HNNXBMFYSA-N 2 1 339.484 1.804 20 0 EDADMP C[C@@H](C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[NH+]1CCSCC1 ZINC000834785666 595211780 /nfs/dbraw/zinc/21/17/80/595211780.db2.gz FNPLVELJDGVFCG-UQPPLGOBSA-N 2 1 325.522 1.947 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000843062022 595276993 /nfs/dbraw/zinc/27/69/93/595276993.db2.gz KQABFNAVOYRGOA-DOMZBBRYSA-N 2 1 343.265 1.529 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000843074439 595281252 /nfs/dbraw/zinc/28/12/52/595281252.db2.gz ZTWSXGMRVPLMEG-RHSMWYFYSA-N 2 1 328.403 1.825 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844222937 595307436 /nfs/dbraw/zinc/30/74/36/595307436.db2.gz NTKKJCNOYSTNIT-HOTGVXAUSA-N 2 1 346.475 1.521 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)n3)C2)C1 ZINC000844902848 595411110 /nfs/dbraw/zinc/41/11/10/595411110.db2.gz RISRQABMTNVUNJ-MDZRGWNJSA-N 2 1 341.459 1.986 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)n3)C2)C1 ZINC000844902848 595411112 /nfs/dbraw/zinc/41/11/12/595411112.db2.gz RISRQABMTNVUNJ-MDZRGWNJSA-N 2 1 341.459 1.986 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848647014 595422241 /nfs/dbraw/zinc/42/22/41/595422241.db2.gz BPRXXYDJFLSYDH-JONQDZQNSA-N 2 1 342.553 1.433 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848647014 595422243 /nfs/dbraw/zinc/42/22/43/595422243.db2.gz BPRXXYDJFLSYDH-JONQDZQNSA-N 2 1 342.553 1.433 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848647014 595422245 /nfs/dbraw/zinc/42/22/45/595422245.db2.gz BPRXXYDJFLSYDH-JONQDZQNSA-N 2 1 342.553 1.433 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848647014 595422248 /nfs/dbraw/zinc/42/22/48/595422248.db2.gz BPRXXYDJFLSYDH-JONQDZQNSA-N 2 1 342.553 1.433 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ncccn3)CC2)CC1 ZINC000847594702 595454237 /nfs/dbraw/zinc/45/42/37/595454237.db2.gz YSYXYZJMBFPUKY-UHFFFAOYSA-N 2 1 331.464 1.289 20 0 EDADMP [NH2+]=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NC[C@H]1CCCO1 ZINC000849010490 595474611 /nfs/dbraw/zinc/47/46/11/595474611.db2.gz PEGIKHLUORQZDF-QGZVFWFLSA-N 2 1 332.448 1.312 20 0 EDADMP C[C@H]1CCCC[C@H]1OCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849063155 595477140 /nfs/dbraw/zinc/47/71/40/595477140.db2.gz ZJQHFWPXDPSQHI-JKSUJKDBSA-N 2 1 326.485 1.418 20 0 EDADMP C[N@H+](CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000849066938 595477301 /nfs/dbraw/zinc/47/73/01/595477301.db2.gz REYOOVMLGLIPJL-UHFFFAOYSA-N 3 1 329.492 1.859 20 0 EDADMP C[N@@H+](CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000849066938 595477304 /nfs/dbraw/zinc/47/73/04/595477304.db2.gz REYOOVMLGLIPJL-UHFFFAOYSA-N 3 1 329.492 1.859 20 0 EDADMP C[C@H]1CN(C(=[NH2+])NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000849094311 595480670 /nfs/dbraw/zinc/48/06/70/595480670.db2.gz FDXQNSPSGXXZTC-FUHWJXTLSA-N 2 1 330.476 1.796 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000849101941 595482037 /nfs/dbraw/zinc/48/20/37/595482037.db2.gz AUTACCLZGPGZDJ-HNNXBMFYSA-N 3 1 339.528 1.474 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849504000 595552905 /nfs/dbraw/zinc/55/29/05/595552905.db2.gz AQIIJQCIQUEMDT-SZMVWBNQSA-N 2 1 347.507 1.302 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849504000 595552906 /nfs/dbraw/zinc/55/29/06/595552906.db2.gz AQIIJQCIQUEMDT-SZMVWBNQSA-N 2 1 347.507 1.302 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849504000 595552909 /nfs/dbraw/zinc/55/29/09/595552909.db2.gz AQIIJQCIQUEMDT-SZMVWBNQSA-N 2 1 347.507 1.302 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC[NH+]2CCCCC2)cn1 ZINC000849501589 595553374 /nfs/dbraw/zinc/55/33/74/595553374.db2.gz WXHNAFRVJSHIBM-DLBZAZTESA-N 2 1 333.480 1.058 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[NH+](C)C1CC1 ZINC000849514628 595555630 /nfs/dbraw/zinc/55/56/30/595555630.db2.gz CSHLJLXKBSMATG-XYPHTWIQSA-N 2 1 333.480 1.054 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1)[N@H+](C)C1CC1 ZINC000849514628 595555634 /nfs/dbraw/zinc/55/56/34/595555634.db2.gz CSHLJLXKBSMATG-XYPHTWIQSA-N 2 1 333.480 1.054 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1)[N@@H+](C)C1CC1 ZINC000849514628 595555637 /nfs/dbraw/zinc/55/56/37/595555637.db2.gz CSHLJLXKBSMATG-XYPHTWIQSA-N 2 1 333.480 1.054 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC[NH+](C)C2CCCC2)cn1 ZINC000849522716 595557931 /nfs/dbraw/zinc/55/79/31/595557931.db2.gz NOVAIATUDBNLIJ-ROUUACIJSA-N 2 1 347.507 1.446 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NCC[N@H+](C)C2CCCC2)cn1 ZINC000849522716 595557934 /nfs/dbraw/zinc/55/79/34/595557934.db2.gz NOVAIATUDBNLIJ-ROUUACIJSA-N 2 1 347.507 1.446 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NCC[N@@H+](C)C2CCCC2)cn1 ZINC000849522716 595557937 /nfs/dbraw/zinc/55/79/37/595557937.db2.gz NOVAIATUDBNLIJ-ROUUACIJSA-N 2 1 347.507 1.446 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849527208 595559511 /nfs/dbraw/zinc/55/95/11/595559511.db2.gz ZKTGIKLNBNNBKZ-KZNAEPCWSA-N 2 1 347.507 1.446 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849527208 595559518 /nfs/dbraw/zinc/55/95/18/595559518.db2.gz ZKTGIKLNBNNBKZ-KZNAEPCWSA-N 2 1 347.507 1.446 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849527208 595559522 /nfs/dbraw/zinc/55/95/22/595559522.db2.gz ZKTGIKLNBNNBKZ-KZNAEPCWSA-N 2 1 347.507 1.446 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849527206 595560011 /nfs/dbraw/zinc/56/00/11/595560011.db2.gz ZKTGIKLNBNNBKZ-FGTMMUONSA-N 2 1 347.507 1.446 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849527206 595560014 /nfs/dbraw/zinc/56/00/14/595560014.db2.gz ZKTGIKLNBNNBKZ-FGTMMUONSA-N 2 1 347.507 1.446 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849527206 595560018 /nfs/dbraw/zinc/56/00/18/595560018.db2.gz ZKTGIKLNBNNBKZ-FGTMMUONSA-N 2 1 347.507 1.446 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C)[C@H](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849555277 595564562 /nfs/dbraw/zinc/56/45/62/595564562.db2.gz QXGUIQBMOCDPBE-NJAFHUGGSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC[NH+](C)[C@H](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849555277 595564564 /nfs/dbraw/zinc/56/45/64/595564564.db2.gz QXGUIQBMOCDPBE-NJAFHUGGSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)N2CC[N@H+](C)[C@H](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849555277 595564568 /nfs/dbraw/zinc/56/45/68/595564568.db2.gz QXGUIQBMOCDPBE-NJAFHUGGSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)N2CC[N@@H+](C)[C@H](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849555277 595564572 /nfs/dbraw/zinc/56/45/72/595564572.db2.gz QXGUIQBMOCDPBE-NJAFHUGGSA-N 2 1 347.507 1.397 20 0 EDADMP [NH3+]CCCCCCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000851668906 595877550 /nfs/dbraw/zinc/87/75/50/595877550.db2.gz ZAYWTYUAHXDQSN-HZPDHXFCSA-N 2 1 338.496 1.448 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000851825526 595937067 /nfs/dbraw/zinc/93/70/67/595937067.db2.gz KBOGOIMBKCQEKU-CVEARBPZSA-N 2 1 334.464 1.433 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000851825526 595937069 /nfs/dbraw/zinc/93/70/69/595937069.db2.gz KBOGOIMBKCQEKU-CVEARBPZSA-N 2 1 334.464 1.433 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000851825526 595937072 /nfs/dbraw/zinc/93/70/72/595937072.db2.gz KBOGOIMBKCQEKU-CVEARBPZSA-N 2 1 334.464 1.433 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000851825526 595937074 /nfs/dbraw/zinc/93/70/74/595937074.db2.gz KBOGOIMBKCQEKU-CVEARBPZSA-N 2 1 334.464 1.433 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cncnc3)C2)ccn1 ZINC000856554096 596017307 /nfs/dbraw/zinc/01/73/07/596017307.db2.gz PCCAVLYKIJITMN-GOSISDBHSA-N 2 1 327.432 1.977 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cncnc3)C2)ccn1 ZINC000856554096 596017308 /nfs/dbraw/zinc/01/73/08/596017308.db2.gz PCCAVLYKIJITMN-GOSISDBHSA-N 2 1 327.432 1.977 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cncnc3)C2)ccn1 ZINC000856554096 596017312 /nfs/dbraw/zinc/01/73/12/596017312.db2.gz PCCAVLYKIJITMN-GOSISDBHSA-N 2 1 327.432 1.977 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cncnc3)C2)ccn1 ZINC000856554096 596017316 /nfs/dbraw/zinc/01/73/16/596017316.db2.gz PCCAVLYKIJITMN-GOSISDBHSA-N 2 1 327.432 1.977 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CCC(=O)N3)C2)ccn1 ZINC000856583365 596021614 /nfs/dbraw/zinc/02/16/14/596021614.db2.gz FYXIWFSHYQCZLM-YOEHRIQHSA-N 2 1 332.448 1.265 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CCC(=O)N3)C2)ccn1 ZINC000856583365 596021618 /nfs/dbraw/zinc/02/16/18/596021618.db2.gz FYXIWFSHYQCZLM-YOEHRIQHSA-N 2 1 332.448 1.265 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCC(=O)N3)C2)ccn1 ZINC000856583365 596021623 /nfs/dbraw/zinc/02/16/23/596021623.db2.gz FYXIWFSHYQCZLM-YOEHRIQHSA-N 2 1 332.448 1.265 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC(OC)OC)C2)ccn1 ZINC000856583830 596021669 /nfs/dbraw/zinc/02/16/69/596021669.db2.gz APAPRBOHWGFQSP-KRWDZBQOSA-N 2 1 337.464 1.995 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC(OC)OC)C2)ccn1 ZINC000856583830 596021674 /nfs/dbraw/zinc/02/16/74/596021674.db2.gz APAPRBOHWGFQSP-KRWDZBQOSA-N 2 1 337.464 1.995 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC(OC)OC)C2)ccn1 ZINC000856583830 596021678 /nfs/dbraw/zinc/02/16/78/596021678.db2.gz APAPRBOHWGFQSP-KRWDZBQOSA-N 2 1 337.464 1.995 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[C@H]3CCNC3=O)C2)ccn1 ZINC000856585136 596023570 /nfs/dbraw/zinc/02/35/70/596023570.db2.gz ZSIOBSTWMICKOP-QAPCUYQASA-N 2 1 346.475 1.513 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC[C@H]3CCNC3=O)C2)ccn1 ZINC000856585136 596023574 /nfs/dbraw/zinc/02/35/74/596023574.db2.gz ZSIOBSTWMICKOP-QAPCUYQASA-N 2 1 346.475 1.513 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC[C@H]3CCNC3=O)C2)ccn1 ZINC000856585136 596023577 /nfs/dbraw/zinc/02/35/77/596023577.db2.gz ZSIOBSTWMICKOP-QAPCUYQASA-N 2 1 346.475 1.513 20 0 EDADMP CCN(CC)C(=O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856596779 596028335 /nfs/dbraw/zinc/02/83/35/596028335.db2.gz ZYHRDYLIWAKEDW-SFHVURJKSA-N 2 1 348.491 1.855 20 0 EDADMP CCN(CC)C(=O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856596779 596028339 /nfs/dbraw/zinc/02/83/39/596028339.db2.gz ZYHRDYLIWAKEDW-SFHVURJKSA-N 2 1 348.491 1.855 20 0 EDADMP CCN(CC)C(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856596779 596028343 /nfs/dbraw/zinc/02/83/43/596028343.db2.gz ZYHRDYLIWAKEDW-SFHVURJKSA-N 2 1 348.491 1.855 20 0 EDADMP CCN(CC)C(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856596779 596028345 /nfs/dbraw/zinc/02/83/45/596028345.db2.gz ZYHRDYLIWAKEDW-SFHVURJKSA-N 2 1 348.491 1.855 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000856635372 596041096 /nfs/dbraw/zinc/04/10/96/596041096.db2.gz QYTUBSSJZYRSRF-QZTJIDSGSA-N 2 1 346.475 1.607 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)ccn1 ZINC000856635372 596041101 /nfs/dbraw/zinc/04/11/01/596041101.db2.gz QYTUBSSJZYRSRF-QZTJIDSGSA-N 2 1 346.475 1.607 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC000856635372 596041103 /nfs/dbraw/zinc/04/11/03/596041103.db2.gz QYTUBSSJZYRSRF-QZTJIDSGSA-N 2 1 346.475 1.607 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3COC(C)(C)O3)CC2)CC1 ZINC000852184111 596074917 /nfs/dbraw/zinc/07/49/17/596074917.db2.gz GBUAJGKENDDFSJ-QGZVFWFLSA-N 2 1 325.497 1.630 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000854641915 596145865 /nfs/dbraw/zinc/14/58/65/596145865.db2.gz HLTFSSAQBIXAJX-RVKKMQEKSA-N 2 1 341.471 1.521 20 0 EDADMP C[NH+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000854641915 596145867 /nfs/dbraw/zinc/14/58/67/596145867.db2.gz HLTFSSAQBIXAJX-RVKKMQEKSA-N 2 1 341.471 1.521 20 0 EDADMP C[NH+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000854641915 596145869 /nfs/dbraw/zinc/14/58/69/596145869.db2.gz HLTFSSAQBIXAJX-RVKKMQEKSA-N 2 1 341.471 1.521 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000852514829 596186685 /nfs/dbraw/zinc/18/66/85/596186685.db2.gz LAOOXNLRILYWGW-WOJBJXKFSA-N 2 1 331.504 1.692 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000857300170 596207946 /nfs/dbraw/zinc/20/79/46/596207946.db2.gz NCWFMFQVYMQVHS-UHFFFAOYSA-N 2 1 336.524 1.393 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000852629482 596213035 /nfs/dbraw/zinc/21/30/35/596213035.db2.gz CJNMXHOEABDYEX-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703807 596301131 /nfs/dbraw/zinc/30/11/31/596301131.db2.gz KJHDZOLBQAQAIV-YVEFUNNKSA-N 2 1 326.485 1.696 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703807 596301132 /nfs/dbraw/zinc/30/11/32/596301132.db2.gz KJHDZOLBQAQAIV-YVEFUNNKSA-N 2 1 326.485 1.696 20 0 EDADMP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)C(=O)OC ZINC000866707362 596302033 /nfs/dbraw/zinc/30/20/33/596302033.db2.gz MVEBVGOUZXJTJD-JCKWVBRZSA-N 2 1 341.496 1.387 20 0 EDADMP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)C(=O)OC ZINC000866707362 596302036 /nfs/dbraw/zinc/30/20/36/596302036.db2.gz MVEBVGOUZXJTJD-JCKWVBRZSA-N 2 1 341.496 1.387 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000866714445 596306508 /nfs/dbraw/zinc/30/65/08/596306508.db2.gz PBSRVHQMMQLEAU-KWCYVHTRSA-N 2 1 344.440 1.663 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000866714445 596306513 /nfs/dbraw/zinc/30/65/13/596306513.db2.gz PBSRVHQMMQLEAU-KWCYVHTRSA-N 2 1 344.440 1.663 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)CC2)nc(C)[nH+]1 ZINC000870900783 596395954 /nfs/dbraw/zinc/39/59/54/596395954.db2.gz WRAAYCIFYIOZNP-GASCZTMLSA-N 2 1 331.464 1.696 20 0 EDADMP C[N@@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CCC1(C)C ZINC000871154353 596481441 /nfs/dbraw/zinc/48/14/41/596481441.db2.gz UABWTCHOGMKVJE-GOSISDBHSA-N 2 1 345.487 1.830 20 0 EDADMP C[N@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CCC1(C)C ZINC000871154353 596481444 /nfs/dbraw/zinc/48/14/44/596481444.db2.gz UABWTCHOGMKVJE-GOSISDBHSA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1(C)C ZINC000871154353 596481447 /nfs/dbraw/zinc/48/14/47/596481447.db2.gz UABWTCHOGMKVJE-GOSISDBHSA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1(C)C ZINC000871154353 596481449 /nfs/dbraw/zinc/48/14/49/596481449.db2.gz UABWTCHOGMKVJE-GOSISDBHSA-N 2 1 345.487 1.830 20 0 EDADMP CCC[NH+](C)CC(=O)N1CCCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC000871466385 596593070 /nfs/dbraw/zinc/59/30/70/596593070.db2.gz SNCCDEFYPUYBAZ-INIZCTEOSA-N 2 1 340.512 1.167 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC000871466385 596593072 /nfs/dbraw/zinc/59/30/72/596593072.db2.gz SNCCDEFYPUYBAZ-INIZCTEOSA-N 2 1 340.512 1.167 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC000871466385 596593074 /nfs/dbraw/zinc/59/30/74/596593074.db2.gz SNCCDEFYPUYBAZ-INIZCTEOSA-N 2 1 340.512 1.167 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000863550498 596615564 /nfs/dbraw/zinc/61/55/64/596615564.db2.gz XWYYOMXUWSXKQJ-CVEARBPZSA-N 2 1 337.370 1.722 20 0 EDADMP C[C@@H]1[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000863588115 596628590 /nfs/dbraw/zinc/62/85/90/596628590.db2.gz BKZZOMOQPWEJNJ-SNPRPXQTSA-N 2 1 327.469 1.429 20 0 EDADMP C[C@@H]1[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000863588115 596628592 /nfs/dbraw/zinc/62/85/92/596628592.db2.gz BKZZOMOQPWEJNJ-SNPRPXQTSA-N 2 1 327.469 1.429 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC[C@H](O)C3CCCC3)cn2)CC1 ZINC000865875270 596707391 /nfs/dbraw/zinc/70/73/91/596707391.db2.gz NCXONDWKUFAAII-KRWDZBQOSA-N 2 1 333.480 1.259 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)CC[C@H]21 ZINC000868168645 596708711 /nfs/dbraw/zinc/70/87/11/596708711.db2.gz YVDWNAQNXOUHSL-SUYBPPKGSA-N 2 1 329.448 1.456 20 0 EDADMP CCCCCc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n[nH]1 ZINC000870018277 596710308 /nfs/dbraw/zinc/71/03/08/596710308.db2.gz ZFGVQIZIJBADLI-HZPDHXFCSA-N 2 1 349.523 1.954 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[N@H+]1C1CC1 ZINC000868231361 596736807 /nfs/dbraw/zinc/73/68/07/596736807.db2.gz DIIOCACUHYJMSE-YJOCZYATSA-N 2 1 342.443 1.181 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1 ZINC000868296924 596773579 /nfs/dbraw/zinc/77/35/79/596773579.db2.gz CBTDUNYHLWWPKT-UHFFFAOYSA-N 2 1 332.448 1.335 20 0 EDADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC000872036153 596798346 /nfs/dbraw/zinc/79/83/46/596798346.db2.gz SBBPBFQXKPVGSL-SQNIBIBYSA-N 2 1 339.524 1.576 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+])c1 ZINC000872155653 596815653 /nfs/dbraw/zinc/81/56/53/596815653.db2.gz XPQAASREPADWTF-CQSZACIVSA-N 2 1 334.464 1.824 20 0 EDADMP C[C@H](CCc1cccnc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000866263163 596841150 /nfs/dbraw/zinc/84/11/50/596841150.db2.gz NKICQSJQEWPLMV-MRXNPFEDSA-N 2 1 332.492 1.935 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000875714461 596957881 /nfs/dbraw/zinc/95/78/81/596957881.db2.gz XELWMXUJEKATRT-KBPBESRZSA-N 2 1 326.485 1.004 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000875714461 596957882 /nfs/dbraw/zinc/95/78/82/596957882.db2.gz XELWMXUJEKATRT-KBPBESRZSA-N 2 1 326.485 1.004 20 0 EDADMP C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCC1(C)C ZINC000875747016 596971093 /nfs/dbraw/zinc/97/10/93/596971093.db2.gz GILDJBMLIKCHQH-MRXNPFEDSA-N 2 1 338.496 1.365 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC000876203975 597134182 /nfs/dbraw/zinc/13/41/82/597134182.db2.gz SCGLZONRHHJNND-IRXDYDNUSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000876203975 597134183 /nfs/dbraw/zinc/13/41/83/597134183.db2.gz SCGLZONRHHJNND-IRXDYDNUSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000876203975 597134184 /nfs/dbraw/zinc/13/41/84/597134184.db2.gz SCGLZONRHHJNND-IRXDYDNUSA-N 2 1 338.496 1.149 20 0 EDADMP O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000876715046 597301174 /nfs/dbraw/zinc/30/11/74/597301174.db2.gz GGXJBSSKYRWVNX-RDJZCZTQSA-N 2 1 337.414 1.808 20 0 EDADMP O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000876715046 597301176 /nfs/dbraw/zinc/30/11/76/597301176.db2.gz GGXJBSSKYRWVNX-RDJZCZTQSA-N 2 1 337.414 1.808 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H](F)[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000876738236 597315138 /nfs/dbraw/zinc/31/51/38/597315138.db2.gz YNZYBZQQIVJCGO-XFIYOXNOSA-N 2 1 327.444 1.034 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H](F)[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000876738236 597315143 /nfs/dbraw/zinc/31/51/43/597315143.db2.gz YNZYBZQQIVJCGO-XFIYOXNOSA-N 2 1 327.444 1.034 20 0 EDADMP C[NH+](C)C[C@H](N)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000876877790 597366033 /nfs/dbraw/zinc/36/60/33/597366033.db2.gz HYRZSQDUHVZBDL-SFHVURJKSA-N 2 1 332.492 1.042 20 0 EDADMP CCOC(=O)c1ccc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)[nH]1 ZINC000877664408 597546043 /nfs/dbraw/zinc/54/60/43/597546043.db2.gz OERZGBWDNUECMI-UHFFFAOYSA-N 2 1 337.464 1.982 20 0 EDADMP C[NH+]1CCN(C2CC[NH+](Cc3ccc4c(c3)NC(=O)CO4)CC2)CC1 ZINC000877745973 597552635 /nfs/dbraw/zinc/55/26/35/597552635.db2.gz DSHSYJLVDQRHME-UHFFFAOYSA-N 2 1 344.459 1.229 20 0 EDADMP CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(OC)c(OC)c1 ZINC000877915995 597563935 /nfs/dbraw/zinc/56/39/35/597563935.db2.gz TTZIMMQXKFDFMX-UHFFFAOYSA-N 2 1 349.475 1.736 20 0 EDADMP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(OC)c(OC)c1 ZINC000877915995 597563936 /nfs/dbraw/zinc/56/39/36/597563936.db2.gz TTZIMMQXKFDFMX-UHFFFAOYSA-N 2 1 349.475 1.736 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000878188258 597585233 /nfs/dbraw/zinc/58/52/33/597585233.db2.gz GSOXFBVGANIVLT-CVEARBPZSA-N 2 1 335.448 1.378 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000878188258 597585234 /nfs/dbraw/zinc/58/52/34/597585234.db2.gz GSOXFBVGANIVLT-CVEARBPZSA-N 2 1 335.448 1.378 20 0 EDADMP CN(CC[N@@H+](C)C[C@@H](O)CC1(CO)CCCC1)C1CC[NH+](C)CC1 ZINC000878311312 597594532 /nfs/dbraw/zinc/59/45/32/597594532.db2.gz HYLLEGPYBCIFHU-SFHVURJKSA-N 2 1 341.540 1.248 20 0 EDADMP O=C1NCC2(CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)O1 ZINC000878479994 597609813 /nfs/dbraw/zinc/60/98/13/597609813.db2.gz PEOMDBVDENYEKC-GOSISDBHSA-N 2 1 345.443 1.198 20 0 EDADMP O=C1NCC2(CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)O1 ZINC000878479994 597609814 /nfs/dbraw/zinc/60/98/14/597609814.db2.gz PEOMDBVDENYEKC-GOSISDBHSA-N 2 1 345.443 1.198 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883156296 597671063 /nfs/dbraw/zinc/67/10/63/597671063.db2.gz KLYUFUDZAUOITA-UHFFFAOYSA-N 2 1 349.479 1.524 20 0 EDADMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000878670964 597674385 /nfs/dbraw/zinc/67/43/85/597674385.db2.gz VNMZBQXQCCFNJU-KRWDZBQOSA-N 2 1 342.524 1.363 20 0 EDADMP Cc1cc(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cn2cc[nH+]c12 ZINC000879668417 597680322 /nfs/dbraw/zinc/68/03/22/597680322.db2.gz ZTHXORHCBYNFNI-ZDUSSCGKSA-N 2 1 331.420 1.609 20 0 EDADMP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cn2cc[nH+]c12 ZINC000879668417 597680324 /nfs/dbraw/zinc/68/03/24/597680324.db2.gz ZTHXORHCBYNFNI-ZDUSSCGKSA-N 2 1 331.420 1.609 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000883323040 597713784 /nfs/dbraw/zinc/71/37/84/597713784.db2.gz DLOXEEKPCMYOKN-OALUTQOASA-N 2 1 344.503 1.944 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000883323040 597713785 /nfs/dbraw/zinc/71/37/85/597713785.db2.gz DLOXEEKPCMYOKN-OALUTQOASA-N 2 1 344.503 1.944 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000883323040 597713786 /nfs/dbraw/zinc/71/37/86/597713786.db2.gz DLOXEEKPCMYOKN-OALUTQOASA-N 2 1 344.503 1.944 20 0 EDADMP Brc1ccccc1CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000883430286 597744143 /nfs/dbraw/zinc/74/41/43/597744143.db2.gz RJKGIKSWTNNVOI-HNNXBMFYSA-N 2 1 338.293 1.971 20 0 EDADMP COCC[NH2+]C1CC[NH+](C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000883434042 597744935 /nfs/dbraw/zinc/74/49/35/597744935.db2.gz FNOOQNNWHAPCGG-KRWDZBQOSA-N 2 1 326.481 1.663 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950970 597780860 /nfs/dbraw/zinc/78/08/60/597780860.db2.gz FTRFDCMIMVHQIJ-KRWDZBQOSA-N 2 1 327.513 1.266 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879952598 597781748 /nfs/dbraw/zinc/78/17/48/597781748.db2.gz XPNAVHJGYFZMMF-DLBZAZTESA-N 2 1 328.497 1.739 20 0 EDADMP COC[C@@H](C)OC[C@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879952600 597781962 /nfs/dbraw/zinc/78/19/62/597781962.db2.gz XPNAVHJGYFZMMF-IAGOWNOFSA-N 2 1 328.497 1.739 20 0 EDADMP COCC[N@@H+](C[C@H](O)C[C@](C)(O)C1CC1)CC1CC[NH+](C)CC1 ZINC000879125786 597827813 /nfs/dbraw/zinc/82/78/13/597827813.db2.gz IRWYHSWROOJBRN-MSOLQXFVSA-N 2 1 328.497 1.189 20 0 EDADMP CCC1(CC)CCC[N@H+]1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000880095944 597840080 /nfs/dbraw/zinc/84/00/80/597840080.db2.gz VCKRYOWHCFCENW-UHFFFAOYSA-N 2 1 325.497 1.868 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC000883801674 597907294 /nfs/dbraw/zinc/90/72/94/597907294.db2.gz ITJVGSYHOJNMRZ-MSOLQXFVSA-N 2 1 330.476 1.963 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000883801674 597907295 /nfs/dbraw/zinc/90/72/95/597907295.db2.gz ITJVGSYHOJNMRZ-MSOLQXFVSA-N 2 1 330.476 1.963 20 0 EDADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)CC1(O)CCOCC1 ZINC000880517395 597953105 /nfs/dbraw/zinc/95/31/05/597953105.db2.gz PZHUIXSLXNMMQD-QGZVFWFLSA-N 2 1 328.497 1.477 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000882484038 597972416 /nfs/dbraw/zinc/97/24/16/597972416.db2.gz QQLDSVIALCOPMX-SFHVURJKSA-N 2 1 330.476 1.258 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000880614406 597981992 /nfs/dbraw/zinc/98/19/92/597981992.db2.gz VPBBEBGGMITBEX-DLBZAZTESA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000880614406 597981993 /nfs/dbraw/zinc/98/19/93/597981993.db2.gz VPBBEBGGMITBEX-DLBZAZTESA-N 2 1 339.524 1.968 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884200493 598026262 /nfs/dbraw/zinc/02/62/62/598026262.db2.gz CVLYDWYWUJEROV-HZPDHXFCSA-N 2 1 345.491 1.341 20 0 EDADMP C[C@H](CNC(=O)[C@H]([NH3+])Cc1cc2ccccc2o1)C[NH+]1CCOCC1 ZINC000884206178 598028739 /nfs/dbraw/zinc/02/87/39/598028739.db2.gz OAXQRLXVAMKVCV-RHSMWYFYSA-N 2 1 345.443 1.387 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884221380 598033403 /nfs/dbraw/zinc/03/34/03/598033403.db2.gz QNBXVTXKDHDXLK-KRWDZBQOSA-N 2 1 345.491 1.486 20 0 EDADMP CCC1([NH+]2CCC2)CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000884229129 598037257 /nfs/dbraw/zinc/03/72/57/598037257.db2.gz INPXAUQJCXIPCG-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP CCC1([NH+]2CCC2)CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000884229129 598037261 /nfs/dbraw/zinc/03/72/61/598037261.db2.gz INPXAUQJCXIPCG-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000884327736 598069478 /nfs/dbraw/zinc/06/94/78/598069478.db2.gz AWXFNZPWVLVIQF-SJLPKXTDSA-N 2 1 331.460 1.841 20 0 EDADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCC[N@H+]1CCCOCC1 ZINC000884373083 598084619 /nfs/dbraw/zinc/08/46/19/598084619.db2.gz BNUWFWCTPMMSJR-MRXNPFEDSA-N 2 1 347.463 1.024 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H](O)c3ccccc3F)nn2)CC1 ZINC000881406145 598139846 /nfs/dbraw/zinc/13/98/46/598139846.db2.gz GPXHMJWATDQUPI-KRWDZBQOSA-N 2 1 333.411 1.116 20 0 EDADMP C[C@@](O)(Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1)c1ccccc1 ZINC000881405529 598139881 /nfs/dbraw/zinc/13/98/81/598139881.db2.gz CVBPNFFTQKJOKW-GOSISDBHSA-N 2 1 329.448 1.151 20 0 EDADMP C[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000914127927 695136041 /nfs/dbraw/zinc/13/60/41/695136041.db2.gz VQZVVKVAPACMMJ-BBWFWOEESA-N 2 1 341.521 1.361 20 0 EDADMP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000914127927 695136042 /nfs/dbraw/zinc/13/60/42/695136042.db2.gz VQZVVKVAPACMMJ-BBWFWOEESA-N 2 1 341.521 1.361 20 0 EDADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000914127927 695136044 /nfs/dbraw/zinc/13/60/44/695136044.db2.gz VQZVVKVAPACMMJ-BBWFWOEESA-N 2 1 341.521 1.361 20 0 EDADMP C[C@H]1C[NH+]2CCCC[C@@H]2CN1S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000914127927 695136046 /nfs/dbraw/zinc/13/60/46/695136046.db2.gz VQZVVKVAPACMMJ-BBWFWOEESA-N 2 1 341.521 1.361 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000914316225 695353757 /nfs/dbraw/zinc/35/37/57/695353757.db2.gz MPBREKCJONWMJA-SOUVJXGZSA-N 2 1 326.510 1.350 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000914316225 695353759 /nfs/dbraw/zinc/35/37/59/695353759.db2.gz MPBREKCJONWMJA-SOUVJXGZSA-N 2 1 326.510 1.350 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000914316225 695353761 /nfs/dbraw/zinc/35/37/61/695353761.db2.gz MPBREKCJONWMJA-SOUVJXGZSA-N 2 1 326.510 1.350 20 0 EDADMP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000925412749 695558262 /nfs/dbraw/zinc/55/82/62/695558262.db2.gz XRXRJVKWBQLHNP-AEFFLSMTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000925412749 695558268 /nfs/dbraw/zinc/55/82/68/695558268.db2.gz XRXRJVKWBQLHNP-AEFFLSMTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000925412749 695558271 /nfs/dbraw/zinc/55/82/71/695558271.db2.gz XRXRJVKWBQLHNP-AEFFLSMTSA-N 2 1 330.476 1.997 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001015599534 695736609 /nfs/dbraw/zinc/73/66/09/695736609.db2.gz PYNDAAPGOKAMIR-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001015599534 695736611 /nfs/dbraw/zinc/73/66/11/695736611.db2.gz PYNDAAPGOKAMIR-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001015599534 695736613 /nfs/dbraw/zinc/73/66/13/695736613.db2.gz PYNDAAPGOKAMIR-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001015599534 695736615 /nfs/dbraw/zinc/73/66/15/695736615.db2.gz PYNDAAPGOKAMIR-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCC[N@H+]1CC1CC1 ZINC000993987263 696482932 /nfs/dbraw/zinc/48/29/32/696482932.db2.gz MFCZJXNZKWMNQS-WMLDXEAASA-N 2 1 333.480 1.437 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000916332771 696652481 /nfs/dbraw/zinc/65/24/81/696652481.db2.gz YUDHJAXXDXWMIH-UHFFFAOYSA-N 2 1 326.485 1.271 20 0 EDADMP CC(C)c1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000940008384 700110285 /nfs/dbraw/zinc/11/02/85/700110285.db2.gz LMCOUZJLELZZBA-AWEZNQCLSA-N 2 1 349.479 1.758 20 0 EDADMP CC(C)c1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000940008384 700110286 /nfs/dbraw/zinc/11/02/86/700110286.db2.gz LMCOUZJLELZZBA-AWEZNQCLSA-N 2 1 349.479 1.758 20 0 EDADMP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000940008422 700110321 /nfs/dbraw/zinc/11/03/21/700110321.db2.gz MUDLXSPWPCBCCH-HNNXBMFYSA-N 2 1 331.464 1.350 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)N1CCN(CCCOC(C)(C)C)CC1 ZINC000925431994 696808377 /nfs/dbraw/zinc/80/83/77/696808377.db2.gz KKVLUMFUIDMCSK-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000940008697 700110741 /nfs/dbraw/zinc/11/07/41/700110741.db2.gz YNLCFFASENSMKQ-MRXNPFEDSA-N 2 1 334.464 1.802 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000940024339 700122716 /nfs/dbraw/zinc/12/27/16/700122716.db2.gz GQCNNYOMXSVKKJ-AWEZNQCLSA-N 2 1 345.434 1.333 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000940024339 700122718 /nfs/dbraw/zinc/12/27/18/700122718.db2.gz GQCNNYOMXSVKKJ-AWEZNQCLSA-N 2 1 345.434 1.333 20 0 EDADMP CCc1ccc([C@@H](O)CN2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001031385985 697001842 /nfs/dbraw/zinc/00/18/42/697001842.db2.gz SSXBIBMSKFCFOW-WMZOPIPTSA-N 2 1 331.460 1.035 20 0 EDADMP Cc1cccc(NCCNC(=O)NCC2([NH+](C)C)CCOCC2)[nH+]1 ZINC000918664478 697196858 /nfs/dbraw/zinc/19/68/58/697196858.db2.gz GNTBQVRMGKTCPV-UHFFFAOYSA-N 2 1 335.452 1.212 20 0 EDADMP COc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001031576696 697271934 /nfs/dbraw/zinc/27/19/34/697271934.db2.gz CXPYJLSEZNENBE-GOSISDBHSA-N 2 1 331.460 1.380 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001040849705 697345361 /nfs/dbraw/zinc/34/53/61/697345361.db2.gz UUFJDBUULUGFLW-IRXDYDNUSA-N 2 1 337.508 1.678 20 0 EDADMP CO[C@@H](C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1)C1CCC1 ZINC001031667012 697447947 /nfs/dbraw/zinc/44/79/47/697447947.db2.gz VNGOPXCSGVHBOD-MSOLQXFVSA-N 2 1 337.508 1.722 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031668515 697461278 /nfs/dbraw/zinc/46/12/78/697461278.db2.gz ICGWGQNLVMLCFX-ROUUACIJSA-N 2 1 328.460 1.504 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031668515 697461279 /nfs/dbraw/zinc/46/12/79/697461279.db2.gz ICGWGQNLVMLCFX-ROUUACIJSA-N 2 1 328.460 1.504 20 0 EDADMP CCc1onc(C)c1CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681169 697500380 /nfs/dbraw/zinc/50/03/80/697500380.db2.gz HCAKGPKETHBMRW-UKRRQHHQSA-N 2 1 334.464 1.434 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681169 697500383 /nfs/dbraw/zinc/50/03/83/697500383.db2.gz HCAKGPKETHBMRW-UKRRQHHQSA-N 2 1 334.464 1.434 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681169 697500384 /nfs/dbraw/zinc/50/03/84/697500384.db2.gz HCAKGPKETHBMRW-UKRRQHHQSA-N 2 1 334.464 1.434 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC[C@@H]3CC3(Cl)Cl)C2)CC[N@H+]1C ZINC001031681201 697501056 /nfs/dbraw/zinc/50/10/56/697501056.db2.gz ICHXLFDDPOWUMG-MRVWCRGKSA-N 2 1 348.318 1.959 20 0 EDADMP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001031732123 698120693 /nfs/dbraw/zinc/12/06/93/698120693.db2.gz UIAZWXMBWJHVML-QGZVFWFLSA-N 2 1 346.475 1.625 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943334223 698151120 /nfs/dbraw/zinc/15/11/20/698151120.db2.gz MVCNOMIHODQNIR-CRAIPNDOSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943334223 698151122 /nfs/dbraw/zinc/15/11/22/698151122.db2.gz MVCNOMIHODQNIR-CRAIPNDOSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943337268 698155148 /nfs/dbraw/zinc/15/51/48/698155148.db2.gz YKXMXILSCHDRJJ-MAUKXSAKSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cn(C)nn2)CC1 ZINC000940108289 700220527 /nfs/dbraw/zinc/22/05/27/700220527.db2.gz BRJOTMOCVWYXLW-MRXNPFEDSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)n2)CC1 ZINC000940110482 700224212 /nfs/dbraw/zinc/22/42/12/700224212.db2.gz ZPCIHNGJKBHCJF-INIZCTEOSA-N 2 1 348.495 1.159 20 0 EDADMP Cc1cccn2cc(CC(=O)N[C@@H]3CC[N@H+](CCCO)C[C@@H]3C)nc12 ZINC000943517545 698432206 /nfs/dbraw/zinc/43/22/06/698432206.db2.gz PNNHPTUHDHQQOI-DOTOQJQBSA-N 2 1 344.459 1.394 20 0 EDADMP CCn1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)n1 ZINC000995038589 700226967 /nfs/dbraw/zinc/22/69/67/700226967.db2.gz QWKSXGLFSUBZDI-HOTGVXAUSA-N 2 1 344.463 1.483 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3cscn3)CC2)CC[N@H+]1C ZINC000940117407 700250030 /nfs/dbraw/zinc/25/00/30/700250030.db2.gz RCMKHBRRJMDSAS-UKRRQHHQSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1cc(C)cc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001031765859 699058697 /nfs/dbraw/zinc/05/86/97/699058697.db2.gz RXETUYREQZPSRK-VQIMIIECSA-N 2 1 345.487 1.571 20 0 EDADMP Cc1cc(C)cc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001031765859 699058700 /nfs/dbraw/zinc/05/87/00/699058700.db2.gz RXETUYREQZPSRK-VQIMIIECSA-N 2 1 345.487 1.571 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031766502 699063381 /nfs/dbraw/zinc/06/33/81/699063381.db2.gz KAMAXBBHDQBPAT-ROUUACIJSA-N 2 1 345.491 1.293 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001031766502 699063385 /nfs/dbraw/zinc/06/33/85/699063385.db2.gz KAMAXBBHDQBPAT-ROUUACIJSA-N 2 1 345.491 1.293 20 0 EDADMP Cc1cccc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031769361 699079614 /nfs/dbraw/zinc/07/96/14/699079614.db2.gz KFOJNUYBQIKHIQ-VQIMIIECSA-N 2 1 345.487 1.571 20 0 EDADMP Cc1cccc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031769361 699079615 /nfs/dbraw/zinc/07/96/15/699079615.db2.gz KFOJNUYBQIKHIQ-VQIMIIECSA-N 2 1 345.487 1.571 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)s1 ZINC001031774351 699145405 /nfs/dbraw/zinc/14/54/05/699145405.db2.gz XZGWEDCECBUHIW-HNNXBMFYSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939128491 699207193 /nfs/dbraw/zinc/20/71/93/699207193.db2.gz LATGJSPVOCHXNG-DOMZBBRYSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939128491 699207195 /nfs/dbraw/zinc/20/71/95/699207195.db2.gz LATGJSPVOCHXNG-DOMZBBRYSA-N 2 1 335.452 1.046 20 0 EDADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cscn1 ZINC000939247208 699417337 /nfs/dbraw/zinc/41/73/37/699417337.db2.gz OFCLZIRUDCZSAP-CJNGLKHVSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031812956 699488021 /nfs/dbraw/zinc/48/80/21/699488021.db2.gz NINFSUCOXFMLQN-UHFFFAOYSA-N 2 1 348.516 1.936 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ncccn3)C2)CC1 ZINC000939453268 699599414 /nfs/dbraw/zinc/59/94/14/699599414.db2.gz HHDAGYQFQCGJRN-DOTOQJQBSA-N 2 1 345.491 1.534 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000939453973 699600649 /nfs/dbraw/zinc/60/06/49/699600649.db2.gz OGIXZEGEZIQPQV-SUMWQHHRSA-N 2 1 349.479 1.435 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000939753362 699902885 /nfs/dbraw/zinc/90/28/85/699902885.db2.gz FLZGKJMEARQYHR-KBXCAEBGSA-N 2 1 342.443 1.321 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ccccc2F)[C@@H](C)C1 ZINC000939746168 699911787 /nfs/dbraw/zinc/91/17/87/699911787.db2.gz FUJJEXLEEGYYRU-GUYCJALGSA-N 2 1 330.407 1.967 20 0 EDADMP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1ncccn1 ZINC000939808131 699957067 /nfs/dbraw/zinc/95/70/67/699957067.db2.gz BXZSIVDICWZQPW-HOTGVXAUSA-N 2 1 331.464 1.289 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)no1 ZINC000939811316 699959417 /nfs/dbraw/zinc/95/94/17/699959417.db2.gz RTPYCLSKAWUHJJ-YOEHRIQHSA-N 2 1 334.464 1.796 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940143466 700272450 /nfs/dbraw/zinc/27/24/50/700272450.db2.gz WLKVUCVSTNMIJA-KRWDZBQOSA-N 2 1 347.507 1.765 20 0 EDADMP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000940153961 700283428 /nfs/dbraw/zinc/28/34/28/700283428.db2.gz IFCZGYZZLWUFRX-UHFFFAOYSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000940159816 700292711 /nfs/dbraw/zinc/29/27/11/700292711.db2.gz XBWCRXTUHPBJQI-HNNXBMFYSA-N 2 1 349.479 1.723 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)nn1C ZINC000940328420 700507052 /nfs/dbraw/zinc/50/70/52/700507052.db2.gz JQJCIZAVQLGAQQ-OAHLLOKOSA-N 2 1 347.507 1.684 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)ncn1 ZINC000940329574 700509015 /nfs/dbraw/zinc/50/90/15/700509015.db2.gz VNLHUCDLYHXTMT-HNNXBMFYSA-N 2 1 345.491 1.598 20 0 EDADMP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000940329877 700509785 /nfs/dbraw/zinc/50/97/85/700509785.db2.gz ZDKMFZDIHWQECB-HOCLYGCPSA-N 2 1 348.491 1.905 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)on1 ZINC000940426093 700619735 /nfs/dbraw/zinc/61/97/35/700619735.db2.gz FLEPLCWSCPUUHR-OAHLLOKOSA-N 2 1 334.464 1.796 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3noc(C4CC4)n3)CC2)C1 ZINC000940457324 700660941 /nfs/dbraw/zinc/66/09/41/700660941.db2.gz AFYPKLWDLKAQIB-CQSZACIVSA-N 2 1 347.463 1.369 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3noc(C4CC4)n3)CC2)C1 ZINC000940457324 700660943 /nfs/dbraw/zinc/66/09/43/700660943.db2.gz AFYPKLWDLKAQIB-CQSZACIVSA-N 2 1 347.463 1.369 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccnc2)CC1(C)C ZINC000940621753 700783207 /nfs/dbraw/zinc/78/32/07/700783207.db2.gz VIDMSVYLZKMPGJ-IAGOWNOFSA-N 2 1 330.476 1.893 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)CC1(C)C ZINC000940621753 700783208 /nfs/dbraw/zinc/78/32/08/700783208.db2.gz VIDMSVYLZKMPGJ-IAGOWNOFSA-N 2 1 330.476 1.893 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)CC1(C)C ZINC000940621753 700783209 /nfs/dbraw/zinc/78/32/09/700783209.db2.gz VIDMSVYLZKMPGJ-IAGOWNOFSA-N 2 1 330.476 1.893 20 0 EDADMP Cn1ccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000995099852 700886042 /nfs/dbraw/zinc/88/60/42/700886042.db2.gz ARDREPQIESWRRV-CVEARBPZSA-N 2 1 347.507 1.527 20 0 EDADMP Cn1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)cn1 ZINC000995102604 700910427 /nfs/dbraw/zinc/91/04/27/700910427.db2.gz INAYNPHIVFKLAK-WBVHZDCISA-N 2 1 347.507 1.527 20 0 EDADMP CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000940831060 700930813 /nfs/dbraw/zinc/93/08/13/700930813.db2.gz DEXWUOUZGXXTIG-MRXNPFEDSA-N 2 1 337.508 1.462 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCCO)CC2(C)C)C1 ZINC000940972634 701014728 /nfs/dbraw/zinc/01/47/28/701014728.db2.gz OMZVTAISCFLFJH-IRXDYDNUSA-N 2 1 339.524 1.708 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CCCO)CC2(C)C)C1 ZINC000940972634 701014730 /nfs/dbraw/zinc/01/47/30/701014730.db2.gz OMZVTAISCFLFJH-IRXDYDNUSA-N 2 1 339.524 1.708 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CCCO)CC2(C)C)C1 ZINC000940972634 701014732 /nfs/dbraw/zinc/01/47/32/701014732.db2.gz OMZVTAISCFLFJH-IRXDYDNUSA-N 2 1 339.524 1.708 20 0 EDADMP CO[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031917556 701017726 /nfs/dbraw/zinc/01/77/26/701017726.db2.gz AIZITMLFFWVOML-MAUKXSAKSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001031920908 701059933 /nfs/dbraw/zinc/05/99/33/701059933.db2.gz CPTKEISOEAXDRX-OAHLLOKOSA-N 2 1 345.434 1.189 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(Cc3ncccn3)CC2(C)C)C1 ZINC000941163983 701229161 /nfs/dbraw/zinc/22/91/61/701229161.db2.gz RCPDIPZXTZOCHS-JKSUJKDBSA-N 2 1 345.491 1.535 20 0 EDADMP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CC([NH2+]Cc2ccon2)C1 ZINC000999168111 706595250 /nfs/dbraw/zinc/59/52/50/706595250.db2.gz GGYVURVATIMNDE-OFLPRAFFSA-N 2 1 332.448 1.628 20 0 EDADMP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941169100 701379794 /nfs/dbraw/zinc/37/97/94/701379794.db2.gz IWXSMKPGYFGCPR-BBRMVZONSA-N 2 1 334.464 1.359 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941169100 701379795 /nfs/dbraw/zinc/37/97/95/701379795.db2.gz IWXSMKPGYFGCPR-BBRMVZONSA-N 2 1 334.464 1.359 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCC(C)C)CC2(C)C)C1 ZINC000941231054 701404958 /nfs/dbraw/zinc/40/49/58/701404958.db2.gz MKQLYIVMPMRIGY-IAGOWNOFSA-N 2 1 339.524 1.970 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCC(C)C)CC2(C)C)C1 ZINC000941231054 701404959 /nfs/dbraw/zinc/40/49/59/701404959.db2.gz MKQLYIVMPMRIGY-IAGOWNOFSA-N 2 1 339.524 1.970 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCC(C)C)CC2(C)C)C1 ZINC000941231054 701404960 /nfs/dbraw/zinc/40/49/60/701404960.db2.gz MKQLYIVMPMRIGY-IAGOWNOFSA-N 2 1 339.524 1.970 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCC(C)C)CC2(C)C)C1 ZINC000941231054 701404961 /nfs/dbraw/zinc/40/49/61/701404961.db2.gz MKQLYIVMPMRIGY-IAGOWNOFSA-N 2 1 339.524 1.970 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941218193 701408861 /nfs/dbraw/zinc/40/88/61/701408861.db2.gz WZAPCQWKUQEYGP-HOTGVXAUSA-N 2 1 333.480 1.089 20 0 EDADMP Cn1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)cn1 ZINC000941218193 701408862 /nfs/dbraw/zinc/40/88/62/701408862.db2.gz WZAPCQWKUQEYGP-HOTGVXAUSA-N 2 1 333.480 1.089 20 0 EDADMP Cn1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)cn1 ZINC000941218193 701408863 /nfs/dbraw/zinc/40/88/63/701408863.db2.gz WZAPCQWKUQEYGP-HOTGVXAUSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000995135817 701430668 /nfs/dbraw/zinc/43/06/68/701430668.db2.gz SJZGHWFTYPUZMD-HOTGVXAUSA-N 2 1 349.479 1.484 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941344089 701480200 /nfs/dbraw/zinc/48/02/00/701480200.db2.gz CAAOMUGTEGTUDR-GOSISDBHSA-N 2 1 334.508 1.099 20 0 EDADMP CCC(CC)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941345535 701481043 /nfs/dbraw/zinc/48/10/43/701481043.db2.gz VWPBWUBBXWEQFW-GOSISDBHSA-N 2 1 336.524 1.345 20 0 EDADMP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000941461102 701544540 /nfs/dbraw/zinc/54/45/40/701544540.db2.gz YZGGOYRYVLVRND-FUHWJXTLSA-N 2 1 336.524 1.345 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cs1 ZINC000999174055 706605682 /nfs/dbraw/zinc/60/56/82/706605682.db2.gz NTTPLRIJKZTQEG-RDJZCZTQSA-N 2 1 348.516 1.874 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCOc2ccc(F)cc2)C1 ZINC001031977132 702012153 /nfs/dbraw/zinc/01/21/53/702012153.db2.gz XBYMIGPARWLAFC-KSSFIOAISA-N 2 1 349.450 1.450 20 0 EDADMP CC(C)c1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)n1 ZINC001031977206 702014911 /nfs/dbraw/zinc/01/49/11/702014911.db2.gz AVYGVJVSODSAII-CRAIPNDOSA-N 2 1 344.503 1.951 20 0 EDADMP CC(C)c1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)n1 ZINC001031977206 702014917 /nfs/dbraw/zinc/01/49/17/702014917.db2.gz AVYGVJVSODSAII-CRAIPNDOSA-N 2 1 344.503 1.951 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(F)cn3)C2)CC[N@H+]1C ZINC000999191508 706634020 /nfs/dbraw/zinc/63/40/20/706634020.db2.gz YSFZXYOVGVQFGQ-KBRIMQKVSA-N 2 1 334.439 1.642 20 0 EDADMP COc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)c1 ZINC001031978761 702105670 /nfs/dbraw/zinc/10/56/70/702105670.db2.gz WNJNECVTVVSPEV-KSSFIOAISA-N 2 1 331.460 1.441 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCCc2ccsc2)C1 ZINC001031980610 702141735 /nfs/dbraw/zinc/14/17/35/702141735.db2.gz WQTDQHRSUKXGRR-RHSMWYFYSA-N 2 1 335.517 1.926 20 0 EDADMP Cc1cccc(CCC[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001032182365 702196670 /nfs/dbraw/zinc/19/66/70/702196670.db2.gz KYLZQYPDQNBYON-IBGZPJMESA-N 2 1 329.488 1.927 20 0 EDADMP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995964426 702309904 /nfs/dbraw/zinc/30/99/04/702309904.db2.gz APPVOMDRKSTWQA-HZPDHXFCSA-N 2 1 347.507 1.714 20 0 EDADMP C[C@H](O)C[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1(C)C ZINC000995982413 702342017 /nfs/dbraw/zinc/34/20/17/702342017.db2.gz ALGUNYCKVGSIJZ-HOCLYGCPSA-N 2 1 339.524 1.847 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996002495 702382160 /nfs/dbraw/zinc/38/21/60/702382160.db2.gz IZBHJFCXEZSPTO-JKSUJKDBSA-N 2 1 349.479 1.517 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996002495 702382165 /nfs/dbraw/zinc/38/21/65/702382165.db2.gz IZBHJFCXEZSPTO-JKSUJKDBSA-N 2 1 349.479 1.517 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944153626 702442177 /nfs/dbraw/zinc/44/21/77/702442177.db2.gz IKBIMOPDWLFMKB-NVXWUHKLSA-N 2 1 328.460 1.504 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2oc(C)nc2C)C(C)(C)C1 ZINC000996041182 702456556 /nfs/dbraw/zinc/45/65/56/702456556.db2.gz DEQMOAFDVHOZOR-MRXNPFEDSA-N 2 1 345.447 1.823 20 0 EDADMP COc1ncccc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995549998 702540388 /nfs/dbraw/zinc/54/03/88/702540388.db2.gz GUSRTTIEZQSOHI-HOTGVXAUSA-N 2 1 346.475 1.511 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCCCO2)CC1 ZINC001032665860 706678754 /nfs/dbraw/zinc/67/87/54/706678754.db2.gz JRPRSXFPHFBOOT-FHWLQOOXSA-N 2 1 349.519 1.963 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996137925 702588650 /nfs/dbraw/zinc/58/86/50/702588650.db2.gz SOLGYJYFMMDNQN-OAHLLOKOSA-N 2 1 349.479 1.579 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942098990 702593662 /nfs/dbraw/zinc/59/36/62/702593662.db2.gz FGITYBUEGXGPSU-HIFRSBDPSA-N 2 1 339.505 1.896 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2(C)C)nc1 ZINC000996244008 702647975 /nfs/dbraw/zinc/64/79/75/702647975.db2.gz DSONFDOHCLOVNT-DOTOQJQBSA-N 2 1 347.507 1.698 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996300393 702691597 /nfs/dbraw/zinc/69/15/97/702691597.db2.gz LHNIUMSLCSIZKI-SUMWQHHRSA-N 2 1 329.460 1.018 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996300461 702692234 /nfs/dbraw/zinc/69/22/34/702692234.db2.gz MPPQGIKFYRQBLQ-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996300470 702692304 /nfs/dbraw/zinc/69/23/04/702692304.db2.gz MQSQJZFUDBFXRZ-PBHICJAKSA-N 2 1 348.491 1.905 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300460 702692342 /nfs/dbraw/zinc/69/23/42/702692342.db2.gz MPPQGIKFYRQBLQ-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(CN[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)nc1 ZINC000996301453 702693555 /nfs/dbraw/zinc/69/35/55/702693555.db2.gz SZPIEHBEFUHQGR-GOEBONIOSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)nc1 ZINC000996301453 702693558 /nfs/dbraw/zinc/69/35/58/702693558.db2.gz SZPIEHBEFUHQGR-GOEBONIOSA-N 2 1 345.491 1.453 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]C[C@H]3CCOC3)C(C)(C)C2)C1 ZINC000996311181 702700359 /nfs/dbraw/zinc/70/03/59/702700359.db2.gz QHSYZGPVSPOIGL-HZPDHXFCSA-N 2 1 337.508 1.581 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC2)CC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942207147 702712604 /nfs/dbraw/zinc/71/26/04/702712604.db2.gz JRZMKYHZYWXTMM-CZUORRHYSA-N 2 1 334.464 1.977 20 0 EDADMP C[C@@H]1C[N@@H+](CCC2CC2)CC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942207147 702712606 /nfs/dbraw/zinc/71/26/06/702712606.db2.gz JRZMKYHZYWXTMM-CZUORRHYSA-N 2 1 334.464 1.977 20 0 EDADMP C[N@H+]1C[C@H](C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000996333557 702716938 /nfs/dbraw/zinc/71/69/38/702716938.db2.gz DJWKMLBLNKWJIS-SQNIBIBYSA-N 2 1 345.487 1.151 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000996465546 702792760 /nfs/dbraw/zinc/79/27/60/702792760.db2.gz VGYWXOGLVTXUQR-YJBOKZPZSA-N 2 1 345.491 1.991 20 0 EDADMP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996610816 702915689 /nfs/dbraw/zinc/91/56/89/702915689.db2.gz KVLFOXMFVFBIJL-DZGCQCFKSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC000996613150 702917862 /nfs/dbraw/zinc/91/78/62/702917862.db2.gz UFVPDAUTJZJTJT-OAHLLOKOSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCCCO2)C(C)(C)C1 ZINC000996613135 702917912 /nfs/dbraw/zinc/91/79/12/702917912.db2.gz UFNMQIIMLYAWAZ-IRXDYDNUSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000996610073 702921181 /nfs/dbraw/zinc/92/11/81/702921181.db2.gz YBZOZBIMUANCQD-NVXWUHKLSA-N 2 1 330.476 1.811 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996624205 702921655 /nfs/dbraw/zinc/92/16/55/702921655.db2.gz WYLRFMWILURYFW-ROUUACIJSA-N 2 1 335.492 1.620 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)ncn1 ZINC000996615923 702923413 /nfs/dbraw/zinc/92/34/13/702923413.db2.gz RXIKIVRVOYROTB-GOEBONIOSA-N 2 1 331.464 1.063 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccn(CC)n2)CC1 ZINC000996646133 702948134 /nfs/dbraw/zinc/94/81/34/702948134.db2.gz QFHYLMMDPYGWKG-SFHVURJKSA-N 2 1 347.507 1.858 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000996667997 702965195 /nfs/dbraw/zinc/96/51/95/702965195.db2.gz HFBMKKAWRPRSHV-QGZVFWFLSA-N 2 1 348.495 1.122 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1)[NH+]1CCCC1 ZINC000996672140 702973225 /nfs/dbraw/zinc/97/32/25/702973225.db2.gz AOMXMXYZMCQSAD-CVEARBPZSA-N 2 1 349.479 1.517 20 0 EDADMP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000996678999 702977851 /nfs/dbraw/zinc/97/78/51/702977851.db2.gz PINCUDZYIXAMAO-MRXNPFEDSA-N 2 1 342.447 1.275 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996681328 702979889 /nfs/dbraw/zinc/97/98/89/702979889.db2.gz ZQOMMVZVFURRBV-OAHLLOKOSA-N 2 1 345.472 1.998 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1)c1nncn1C ZINC000996691023 702988216 /nfs/dbraw/zinc/98/82/16/702988216.db2.gz RMWROYTYZUVFBQ-GOEBONIOSA-N 2 1 348.495 1.331 20 0 EDADMP CCn1ncnc1C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996691241 702988472 /nfs/dbraw/zinc/98/84/72/702988472.db2.gz UBMCHFUPYSBAGQ-INIZCTEOSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000996692847 702990247 /nfs/dbraw/zinc/99/02/47/702990247.db2.gz ZGUIIWBSFPQYHG-OAHLLOKOSA-N 2 1 335.452 1.333 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996692847 702990248 /nfs/dbraw/zinc/99/02/48/702990248.db2.gz ZGUIIWBSFPQYHG-OAHLLOKOSA-N 2 1 335.452 1.333 20 0 EDADMP Cc1ccccc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996712432 703007162 /nfs/dbraw/zinc/00/71/62/703007162.db2.gz OKZBRWYXJPWNKJ-VQIMIIECSA-N 2 1 345.487 1.795 20 0 EDADMP Cc1ccccc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996712432 703007165 /nfs/dbraw/zinc/00/71/65/703007165.db2.gz OKZBRWYXJPWNKJ-VQIMIIECSA-N 2 1 345.487 1.795 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnoc2C)C[C@@H]1C ZINC000942517534 703010591 /nfs/dbraw/zinc/01/05/91/703010591.db2.gz BHHOQUQGWCUWOA-BLLLJJGKSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnoc2C)C[C@@H]1C ZINC000942517534 703010594 /nfs/dbraw/zinc/01/05/94/703010594.db2.gz BHHOQUQGWCUWOA-BLLLJJGKSA-N 2 1 331.420 1.515 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)nn1 ZINC000996727665 703022566 /nfs/dbraw/zinc/02/25/66/703022566.db2.gz HZKPCGACSBORQO-MRXNPFEDSA-N 2 1 347.463 1.050 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccnc2)C1 ZINC001032027682 703050766 /nfs/dbraw/zinc/05/07/66/703050766.db2.gz XRNBPKJZDTUKFL-GOSISDBHSA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccnc2)C1 ZINC001032027682 703050769 /nfs/dbraw/zinc/05/07/69/703050769.db2.gz XRNBPKJZDTUKFL-GOSISDBHSA-N 2 1 330.476 1.893 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)no1 ZINC000996768579 703060052 /nfs/dbraw/zinc/06/00/52/703060052.db2.gz CVFMPOOLLNWEMC-ZDUSSCGKSA-N 2 1 347.463 1.648 20 0 EDADMP C[C@@H]1C[N@H+](Cc2nccn2C)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598104 703112732 /nfs/dbraw/zinc/11/27/32/703112732.db2.gz RKALVTTZYVYELB-ZBFHGGJFSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2nccn2C)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598104 703112733 /nfs/dbraw/zinc/11/27/33/703112733.db2.gz RKALVTTZYVYELB-ZBFHGGJFSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CC2)C1 ZINC000996842692 703129199 /nfs/dbraw/zinc/12/91/99/703129199.db2.gz CNFVMICOIKLBBM-KBPBESRZSA-N 2 1 344.381 1.828 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CC2)C1 ZINC000996853768 703132458 /nfs/dbraw/zinc/13/24/58/703132458.db2.gz FXSDSSNMCDYVMN-KBPBESRZSA-N 2 1 344.381 1.828 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]CCn3cccn3)CC2)C1 ZINC000996901865 703174064 /nfs/dbraw/zinc/17/40/64/703174064.db2.gz BNGSBUQDFCLMFY-QGZVFWFLSA-N 2 1 347.507 1.586 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC000996942554 703211838 /nfs/dbraw/zinc/21/18/38/703211838.db2.gz BNLPKDATSUJXOY-UHFFFAOYSA-N 2 1 335.452 1.054 20 0 EDADMP CCn1nncc1CN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000996981437 703236286 /nfs/dbraw/zinc/23/62/86/703236286.db2.gz VCUSKQHOTPYSTH-RHSMWYFYSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1nncc1C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000996981437 703236289 /nfs/dbraw/zinc/23/62/89/703236289.db2.gz VCUSKQHOTPYSTH-RHSMWYFYSA-N 2 1 348.495 1.109 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3nnc(C4CC4)o3)CC2)C1 ZINC000996993086 703249757 /nfs/dbraw/zinc/24/97/57/703249757.db2.gz ACZDYDLGBNWJGB-CYBMUJFWSA-N 2 1 347.463 1.369 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3nnc(C4CC4)o3)CC2)C1 ZINC000996993086 703249758 /nfs/dbraw/zinc/24/97/58/703249758.db2.gz ACZDYDLGBNWJGB-CYBMUJFWSA-N 2 1 347.463 1.369 20 0 EDADMP COc1nccc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000996995809 703252779 /nfs/dbraw/zinc/25/27/79/703252779.db2.gz RAFPUKUMXDYDDG-CQSZACIVSA-N 2 1 347.463 1.050 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)on1 ZINC000996997666 703254682 /nfs/dbraw/zinc/25/46/82/703254682.db2.gz FHOGLQFMNGRFPA-CYBMUJFWSA-N 2 1 336.436 1.248 20 0 EDADMP CCn1cc(CC[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC000997005069 703262429 /nfs/dbraw/zinc/26/24/29/703262429.db2.gz CEBGISRBNPWQQD-QAPCUYQASA-N 2 1 347.507 1.224 20 0 EDADMP Cc1cncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC000997008494 703266447 /nfs/dbraw/zinc/26/64/47/703266447.db2.gz MUUTXUQHPUFTFN-CRAIPNDOSA-N 2 1 330.476 1.668 20 0 EDADMP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997073944 703314084 /nfs/dbraw/zinc/31/40/84/703314084.db2.gz ZWWFIRQJJARYMY-WBVHZDCISA-N 2 1 325.497 1.722 20 0 EDADMP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000997082952 703321628 /nfs/dbraw/zinc/32/16/28/703321628.db2.gz KFJXFQLKVFHXNS-HUUCEWRRSA-N 2 1 349.504 1.636 20 0 EDADMP Cc1nonc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997099203 703344210 /nfs/dbraw/zinc/34/42/10/703344210.db2.gz CFGGPJLHZARHFR-XNRPHZJLSA-N 2 1 349.479 1.435 20 0 EDADMP Cc1nonc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997099203 703344211 /nfs/dbraw/zinc/34/42/11/703344211.db2.gz CFGGPJLHZARHFR-XNRPHZJLSA-N 2 1 349.479 1.435 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC[NH+](CCO)CC1 ZINC000997136103 703394395 /nfs/dbraw/zinc/39/43/95/703394395.db2.gz AMPJZIBIEYHDPU-QAPCUYQASA-N 2 1 337.508 1.602 20 0 EDADMP Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032408342 703434623 /nfs/dbraw/zinc/43/46/23/703434623.db2.gz YITPLBBKIWGBIA-OKZBNKHCSA-N 2 1 340.471 1.517 20 0 EDADMP Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032408342 703434625 /nfs/dbraw/zinc/43/46/25/703434625.db2.gz YITPLBBKIWGBIA-OKZBNKHCSA-N 2 1 340.471 1.517 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997183558 703468905 /nfs/dbraw/zinc/46/89/05/703468905.db2.gz KUTSCGWKCYTDHP-HNNXBMFYSA-N 2 1 348.495 1.281 20 0 EDADMP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997184038 703469707 /nfs/dbraw/zinc/46/97/07/703469707.db2.gz LQYKGXWBKHVYBV-HNNXBMFYSA-N 2 1 348.495 1.029 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C2CC[NH+](CC3CC3)CC2)C1 ZINC000997271164 703533752 /nfs/dbraw/zinc/53/37/52/703533752.db2.gz GPHWTSUSKSYXIP-QAPCUYQASA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)C2CC[NH+](CC3CC3)CC2)C1 ZINC000997271164 703533753 /nfs/dbraw/zinc/53/37/53/703533753.db2.gz GPHWTSUSKSYXIP-QAPCUYQASA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)c1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000997306314 703565072 /nfs/dbraw/zinc/56/50/72/703565072.db2.gz CNAMYTYOIJNYTF-CQSZACIVSA-N 2 1 349.479 1.930 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2cccnc2C)CC1 ZINC000997310709 703567345 /nfs/dbraw/zinc/56/73/45/703567345.db2.gz SRTBXTRNMUUDQO-UHFFFAOYSA-N 2 1 327.432 1.676 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)o2)CC1 ZINC000997365925 703599709 /nfs/dbraw/zinc/59/97/09/703599709.db2.gz WMJFWMPBRBRONR-OAHLLOKOSA-N 2 1 335.452 1.333 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)o2)CC1 ZINC000997365925 703599710 /nfs/dbraw/zinc/59/97/10/703599710.db2.gz WMJFWMPBRBRONR-OAHLLOKOSA-N 2 1 335.452 1.333 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)o2)CC1 ZINC000997365920 703599742 /nfs/dbraw/zinc/59/97/42/703599742.db2.gz WMJFWMPBRBRONR-HNNXBMFYSA-N 2 1 335.452 1.333 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)o2)CC1 ZINC000997365920 703599743 /nfs/dbraw/zinc/59/97/43/703599743.db2.gz WMJFWMPBRBRONR-HNNXBMFYSA-N 2 1 335.452 1.333 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2ncccn2)CC1 ZINC000997366689 703600547 /nfs/dbraw/zinc/60/05/47/703600547.db2.gz JRRVPZSCHMESTP-DOTOQJQBSA-N 2 1 345.491 1.993 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000997366540 703600555 /nfs/dbraw/zinc/60/05/55/703600555.db2.gz GFGRJJCSZGWWIF-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP CCn1nncc1C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997367572 703601704 /nfs/dbraw/zinc/60/17/04/703601704.db2.gz KOQUGDHIVITMBO-QGZVFWFLSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000997368157 703605010 /nfs/dbraw/zinc/60/50/10/703605010.db2.gz QMSBFRXLYDTBAR-AWEZNQCLSA-N 2 1 349.479 1.896 20 0 EDADMP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOc1ccccc1)C1CCC1 ZINC001032448839 703624511 /nfs/dbraw/zinc/62/45/11/703624511.db2.gz XJHGQFQNMXVDQC-ROUUACIJSA-N 2 1 343.471 1.835 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOc1ccccc1)C1CCC1 ZINC001032448839 703624512 /nfs/dbraw/zinc/62/45/12/703624512.db2.gz XJHGQFQNMXVDQC-ROUUACIJSA-N 2 1 343.471 1.835 20 0 EDADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccccc1)C1CCC1 ZINC001032448839 703624513 /nfs/dbraw/zinc/62/45/13/703624513.db2.gz XJHGQFQNMXVDQC-ROUUACIJSA-N 2 1 343.471 1.835 20 0 EDADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1)C1CCC1 ZINC001032448839 703624514 /nfs/dbraw/zinc/62/45/14/703624514.db2.gz XJHGQFQNMXVDQC-ROUUACIJSA-N 2 1 343.471 1.835 20 0 EDADMP Cc1conc1C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997421133 703670672 /nfs/dbraw/zinc/67/06/72/703670672.db2.gz OBYLPJSLDVBVSK-ZBFHGGJFSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997421133 703670673 /nfs/dbraw/zinc/67/06/73/703670673.db2.gz OBYLPJSLDVBVSK-ZBFHGGJFSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2)[NH+]1CCCCCC1 ZINC001040431704 703728359 /nfs/dbraw/zinc/72/83/59/703728359.db2.gz JADCSHHNSILYTH-PKOBYXMFSA-N 2 1 337.508 1.558 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cccnc2)CC1 ZINC000997507696 703756317 /nfs/dbraw/zinc/75/63/17/703756317.db2.gz DTGGTWWWCQMURX-MAUKXSAKSA-N 2 1 330.476 1.893 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997515117 703764991 /nfs/dbraw/zinc/76/49/91/703764991.db2.gz IUOUXVQMQDXVHB-KBXCAEBGSA-N 2 1 347.507 1.539 20 0 EDADMP COCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997588671 703876986 /nfs/dbraw/zinc/87/69/86/703876986.db2.gz ZWWFIRQJJARYMY-DOTOQJQBSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1cncc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000997645639 703956155 /nfs/dbraw/zinc/95/61/55/703956155.db2.gz PIAFIDXTTSTPLU-SFHVURJKSA-N 2 1 346.475 1.049 20 0 EDADMP Cc1cncc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000997645639 703956157 /nfs/dbraw/zinc/95/61/57/703956157.db2.gz PIAFIDXTTSTPLU-SFHVURJKSA-N 2 1 346.475 1.049 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3cnn(C)c3)C2)C1 ZINC000999284340 706777270 /nfs/dbraw/zinc/77/72/70/706777270.db2.gz WIYBRJOXOYTHCY-AOCRQIFASA-N 2 1 347.507 1.621 20 0 EDADMP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995553183 703964982 /nfs/dbraw/zinc/96/49/82/703964982.db2.gz SRCGXCPRSBIZPK-UKRRQHHQSA-N 2 1 336.505 1.872 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033074140 704117118 /nfs/dbraw/zinc/11/71/18/704117118.db2.gz WGDZQGYLUPDRGF-ROUUACIJSA-N 2 1 330.476 1.987 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033074140 704117120 /nfs/dbraw/zinc/11/71/20/704117120.db2.gz WGDZQGYLUPDRGF-ROUUACIJSA-N 2 1 330.476 1.987 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033074140 704117122 /nfs/dbraw/zinc/11/71/22/704117122.db2.gz WGDZQGYLUPDRGF-ROUUACIJSA-N 2 1 330.476 1.987 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033074140 704117124 /nfs/dbraw/zinc/11/71/24/704117124.db2.gz WGDZQGYLUPDRGF-ROUUACIJSA-N 2 1 330.476 1.987 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033079930 704143932 /nfs/dbraw/zinc/14/39/32/704143932.db2.gz AJXJQJDVFYNHHT-DOTOQJQBSA-N 2 1 332.448 1.358 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033079930 704143934 /nfs/dbraw/zinc/14/39/34/704143934.db2.gz AJXJQJDVFYNHHT-DOTOQJQBSA-N 2 1 332.448 1.358 20 0 EDADMP COc1cc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccn1 ZINC001033093750 704171455 /nfs/dbraw/zinc/17/14/55/704171455.db2.gz DIIOUIJVFOQLFY-DJIMGWMZSA-N 2 1 346.475 1.463 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)ccn1 ZINC001033093750 704171457 /nfs/dbraw/zinc/17/14/57/704171457.db2.gz DIIOUIJVFOQLFY-DJIMGWMZSA-N 2 1 346.475 1.463 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)ccn1 ZINC001033093750 704171461 /nfs/dbraw/zinc/17/14/61/704171461.db2.gz DIIOUIJVFOQLFY-DJIMGWMZSA-N 2 1 346.475 1.463 20 0 EDADMP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccn1 ZINC001033093750 704171464 /nfs/dbraw/zinc/17/14/64/704171464.db2.gz DIIOUIJVFOQLFY-DJIMGWMZSA-N 2 1 346.475 1.463 20 0 EDADMP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccn1 ZINC001033093750 704171467 /nfs/dbraw/zinc/17/14/67/704171467.db2.gz DIIOUIJVFOQLFY-DJIMGWMZSA-N 2 1 346.475 1.463 20 0 EDADMP COc1ncccc1CN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033095041 704175773 /nfs/dbraw/zinc/17/57/73/704175773.db2.gz OHSBDSRIUBFWKK-DJIMGWMZSA-N 2 1 346.475 1.463 20 0 EDADMP COc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095041 704175774 /nfs/dbraw/zinc/17/57/74/704175774.db2.gz OHSBDSRIUBFWKK-DJIMGWMZSA-N 2 1 346.475 1.463 20 0 EDADMP COc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095041 704175776 /nfs/dbraw/zinc/17/57/76/704175776.db2.gz OHSBDSRIUBFWKK-DJIMGWMZSA-N 2 1 346.475 1.463 20 0 EDADMP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033095041 704175778 /nfs/dbraw/zinc/17/57/78/704175778.db2.gz OHSBDSRIUBFWKK-DJIMGWMZSA-N 2 1 346.475 1.463 20 0 EDADMP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033095041 704175779 /nfs/dbraw/zinc/17/57/79/704175779.db2.gz OHSBDSRIUBFWKK-DJIMGWMZSA-N 2 1 346.475 1.463 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001033095248 704181459 /nfs/dbraw/zinc/18/14/59/704181459.db2.gz VBWWGLJRFKMWBR-KBAYOESNSA-N 2 1 330.476 1.763 20 0 EDADMP Cc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC001033095248 704181460 /nfs/dbraw/zinc/18/14/60/704181460.db2.gz VBWWGLJRFKMWBR-KBAYOESNSA-N 2 1 330.476 1.763 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC001033095248 704181461 /nfs/dbraw/zinc/18/14/61/704181461.db2.gz VBWWGLJRFKMWBR-KBAYOESNSA-N 2 1 330.476 1.763 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000999309778 706812569 /nfs/dbraw/zinc/81/25/69/706812569.db2.gz VWHIMKRMRKCBSG-WMZOPIPTSA-N 2 1 347.507 1.684 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000922852619 704438978 /nfs/dbraw/zinc/43/89/78/704438978.db2.gz MLUZOBOXIHGFSX-NVXWUHKLSA-N 2 1 338.496 1.271 20 0 EDADMP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995608370 704571782 /nfs/dbraw/zinc/57/17/82/704571782.db2.gz VDKDUZGCHWFIHQ-IAGOWNOFSA-N 2 1 346.475 1.047 20 0 EDADMP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995608370 704571783 /nfs/dbraw/zinc/57/17/83/704571783.db2.gz VDKDUZGCHWFIHQ-IAGOWNOFSA-N 2 1 346.475 1.047 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000997708288 704599617 /nfs/dbraw/zinc/59/96/17/704599617.db2.gz OOZJIBIXDJYXGT-CGTJXYLNSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997773104 704674596 /nfs/dbraw/zinc/67/45/96/704674596.db2.gz SXQBRBYIUNTKRQ-KRWDZBQOSA-N 2 1 334.464 1.876 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000997863694 704770834 /nfs/dbraw/zinc/77/08/34/704770834.db2.gz FEPFRZGCDQKCFF-SFHVURJKSA-N 2 1 330.476 1.894 20 0 EDADMP Cn1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000997864597 704771391 /nfs/dbraw/zinc/77/13/91/704771391.db2.gz KTOKVUARKGLSJG-QGZVFWFLSA-N 2 1 333.480 1.233 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000997866809 704772139 /nfs/dbraw/zinc/77/21/39/704772139.db2.gz UZCNRHRXWFQVOK-HNNXBMFYSA-N 2 1 337.493 1.351 20 0 EDADMP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997866334 704772736 /nfs/dbraw/zinc/77/27/36/704772736.db2.gz RZYGLBPVBNVOEQ-SFHVURJKSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1cccnc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944943605 704796107 /nfs/dbraw/zinc/79/61/07/704796107.db2.gz IZRBMLTVDBZUQE-IRXDYDNUSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(Cc2ncc(C)cn2)C[C@H]1C ZINC000944966361 704838968 /nfs/dbraw/zinc/83/89/68/704838968.db2.gz YMEKGQSQAXBUSU-GDBMZVCRSA-N 2 1 342.447 1.317 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000998102337 705345954 /nfs/dbraw/zinc/34/59/54/705345954.db2.gz MIXYOZPFLMSITM-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](CCOC)CC1 ZINC000998102337 705345958 /nfs/dbraw/zinc/34/59/58/705345958.db2.gz MIXYOZPFLMSITM-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](CCOC)CC1 ZINC000998102337 705345959 /nfs/dbraw/zinc/34/59/59/705345959.db2.gz MIXYOZPFLMSITM-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC[C@@H]2CCOC2)CC1 ZINC001032603328 705428563 /nfs/dbraw/zinc/42/85/63/705428563.db2.gz XHEOWOWDUBFSDK-NJAFHUGGSA-N 2 1 335.492 1.430 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC[C@H]2CCOC2)CC1 ZINC001032603329 705428883 /nfs/dbraw/zinc/42/88/83/705428883.db2.gz XHEOWOWDUBFSDK-SZMVWBNQSA-N 2 1 335.492 1.430 20 0 EDADMP CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C(F)(F)F ZINC000998266664 705635237 /nfs/dbraw/zinc/63/52/37/705635237.db2.gz KWELXHACOUTZQJ-WCQYABFASA-N 2 1 348.369 1.739 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000998268075 705640148 /nfs/dbraw/zinc/64/01/48/705640148.db2.gz DVPHPEUKODNTAN-KRWDZBQOSA-N 2 1 334.464 1.446 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOc1ccccc1 ZINC001032627469 705731039 /nfs/dbraw/zinc/73/10/39/705731039.db2.gz XLGLTUNKTKEWKX-SQNIBIBYSA-N 2 1 343.471 1.835 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOc1ccccc1 ZINC001032627469 705731041 /nfs/dbraw/zinc/73/10/41/705731041.db2.gz XLGLTUNKTKEWKX-SQNIBIBYSA-N 2 1 343.471 1.835 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccccc1 ZINC001032627469 705731045 /nfs/dbraw/zinc/73/10/45/705731045.db2.gz XLGLTUNKTKEWKX-SQNIBIBYSA-N 2 1 343.471 1.835 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1 ZINC001032627469 705731047 /nfs/dbraw/zinc/73/10/47/705731047.db2.gz XLGLTUNKTKEWKX-SQNIBIBYSA-N 2 1 343.471 1.835 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000998548357 705984064 /nfs/dbraw/zinc/98/40/64/705984064.db2.gz GZXKFGDPOCTUNY-DAWZGUTISA-N 2 1 331.460 1.352 20 0 EDADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000998554517 705989473 /nfs/dbraw/zinc/98/94/73/705989473.db2.gz YKEUWNITHNKDRH-HTWSVDAQSA-N 2 1 331.460 1.868 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC000998763674 706203079 /nfs/dbraw/zinc/20/30/79/706203079.db2.gz ONBCZOCZYIITBC-NRXISQOPSA-N 2 1 349.479 1.584 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC000998763674 706203084 /nfs/dbraw/zinc/20/30/84/706203084.db2.gz ONBCZOCZYIITBC-NRXISQOPSA-N 2 1 349.479 1.584 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC000998781320 706222595 /nfs/dbraw/zinc/22/25/95/706222595.db2.gz VKENAJHQSAXVKN-GPANFISMSA-N 2 1 332.448 1.404 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)cn2)C1 ZINC000998867302 706296777 /nfs/dbraw/zinc/29/67/77/706296777.db2.gz QNQUCSZOHNXARG-JCYILVPMSA-N 2 1 345.491 1.738 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)cn2)C1 ZINC000998867302 706296778 /nfs/dbraw/zinc/29/67/78/706296778.db2.gz QNQUCSZOHNXARG-JCYILVPMSA-N 2 1 345.491 1.738 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]Cc2ncnn2C)C1 ZINC000998901597 706338484 /nfs/dbraw/zinc/33/84/84/706338484.db2.gz OSEWINBDRAXIOT-HWOWSKLDSA-N 2 1 348.495 1.157 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999352963 706866212 /nfs/dbraw/zinc/86/62/12/706866212.db2.gz LIUQKPCEJGSQLA-IAGOWNOFSA-N 2 1 345.491 1.820 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999352963 706866214 /nfs/dbraw/zinc/86/62/14/706866214.db2.gz LIUQKPCEJGSQLA-IAGOWNOFSA-N 2 1 345.491 1.820 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999367187 706880928 /nfs/dbraw/zinc/88/09/28/706880928.db2.gz DUTIZZFUZAWVHG-RDJZCZTQSA-N 2 1 331.464 1.206 20 0 EDADMP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999404792 706913789 /nfs/dbraw/zinc/91/37/89/706913789.db2.gz CKTAPJNLVIYQJG-IUDNXUCKSA-N 2 1 334.464 1.800 20 0 EDADMP CCc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)o1 ZINC000999407499 706917126 /nfs/dbraw/zinc/91/71/26/706917126.db2.gz VRIMIKFKOZCRMN-WLYUNCDWSA-N 2 1 334.464 1.800 20 0 EDADMP CCc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)o1 ZINC000999407499 706917129 /nfs/dbraw/zinc/91/71/29/706917129.db2.gz VRIMIKFKOZCRMN-WLYUNCDWSA-N 2 1 334.464 1.800 20 0 EDADMP Cc1ccncc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999496716 706994561 /nfs/dbraw/zinc/99/45/61/706994561.db2.gz OKCSWLYDEMZDKO-BPQIPLTHSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1ccncc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999496716 706994562 /nfs/dbraw/zinc/99/45/62/706994562.db2.gz OKCSWLYDEMZDKO-BPQIPLTHSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)ncn1 ZINC000999510758 707009162 /nfs/dbraw/zinc/00/91/62/707009162.db2.gz LYIRYMMUPCLFSJ-NVXWUHKLSA-N 2 1 331.464 1.350 20 0 EDADMP COc1cncc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000999514322 707013269 /nfs/dbraw/zinc/01/32/69/707013269.db2.gz WAGXQMYZHYSKNG-GOEBONIOSA-N 2 1 347.463 1.050 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC000999490027 707026313 /nfs/dbraw/zinc/02/63/13/707026313.db2.gz NRCLULJVLSOUHQ-INIZCTEOSA-N 2 1 346.475 1.940 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC000999573384 707079375 /nfs/dbraw/zinc/07/93/75/707079375.db2.gz IOBFPVVHALHUIR-FUHWJXTLSA-N 2 1 347.507 1.621 20 0 EDADMP CCn1cc(CC[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC000999723665 707264371 /nfs/dbraw/zinc/26/43/71/707264371.db2.gz GTAVBHMUAYXWOH-QGZVFWFLSA-N 2 1 344.463 1.231 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000999727891 707270240 /nfs/dbraw/zinc/27/02/40/707270240.db2.gz RKBYNNSRRASNJS-AWEZNQCLSA-N 2 1 333.461 1.471 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1)OC ZINC001033179831 707334862 /nfs/dbraw/zinc/33/48/62/707334862.db2.gz ANNRULFNTFBRPA-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3CC4(CCC4)C3)C2)O1 ZINC001033185362 707370493 /nfs/dbraw/zinc/37/04/93/707370493.db2.gz ONPSWIBRPJFZEN-BPQIPLTHSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3CC4(CCC4)C3)C2)O1 ZINC001033185362 707370499 /nfs/dbraw/zinc/37/04/99/707370499.db2.gz ONPSWIBRPJFZEN-BPQIPLTHSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CC4(CCC4)C3)C2)O1 ZINC001033185362 707370504 /nfs/dbraw/zinc/37/05/04/707370504.db2.gz ONPSWIBRPJFZEN-BPQIPLTHSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)C2)O1 ZINC001033185362 707370510 /nfs/dbraw/zinc/37/05/10/707370510.db2.gz ONPSWIBRPJFZEN-BPQIPLTHSA-N 2 1 349.519 1.819 20 0 EDADMP COCc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000999838881 707411349 /nfs/dbraw/zinc/41/13/49/707411349.db2.gz YFPROMMZPXOKBY-VIQWUECVSA-N 2 1 345.487 1.864 20 0 EDADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033196664 707411505 /nfs/dbraw/zinc/41/15/05/707411505.db2.gz DNTBFNGBSQAOAO-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033196664 707411509 /nfs/dbraw/zinc/41/15/09/707411509.db2.gz DNTBFNGBSQAOAO-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033196664 707411513 /nfs/dbraw/zinc/41/15/13/707411513.db2.gz DNTBFNGBSQAOAO-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033198114 707459795 /nfs/dbraw/zinc/45/97/95/707459795.db2.gz KSBKZOFXCWFJPV-MOPGFXCFSA-N 2 1 345.487 1.696 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033198114 707459797 /nfs/dbraw/zinc/45/97/97/707459797.db2.gz KSBKZOFXCWFJPV-MOPGFXCFSA-N 2 1 345.487 1.696 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033198114 707459798 /nfs/dbraw/zinc/45/97/98/707459798.db2.gz KSBKZOFXCWFJPV-MOPGFXCFSA-N 2 1 345.487 1.696 20 0 EDADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946751969 707502948 /nfs/dbraw/zinc/50/29/48/707502948.db2.gz MSMCBXKFAHVRDB-RYQLBKOJSA-N 2 1 337.508 1.534 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033318053 707507060 /nfs/dbraw/zinc/50/70/60/707507060.db2.gz GAPVKVLRXHSDEG-KRWDZBQOSA-N 2 1 347.507 1.370 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)n3)C2)C1 ZINC000999976662 707590977 /nfs/dbraw/zinc/59/09/77/707590977.db2.gz YJMPXDKMNGRKAX-HOTGVXAUSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)n3)C2)C1 ZINC000999976662 707590981 /nfs/dbraw/zinc/59/09/81/707590981.db2.gz YJMPXDKMNGRKAX-HOTGVXAUSA-N 2 1 348.495 1.018 20 0 EDADMP CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)nn2)C1 ZINC000999992794 707669705 /nfs/dbraw/zinc/66/97/05/707669705.db2.gz QJCVVXLAMIQIOQ-RDJZCZTQSA-N 2 1 348.495 1.139 20 0 EDADMP CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)nn2)C1 ZINC000999992794 707669710 /nfs/dbraw/zinc/66/97/10/707669710.db2.gz QJCVVXLAMIQIOQ-RDJZCZTQSA-N 2 1 348.495 1.139 20 0 EDADMP CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)nn2)C1 ZINC000999992794 707669712 /nfs/dbraw/zinc/66/97/12/707669712.db2.gz QJCVVXLAMIQIOQ-RDJZCZTQSA-N 2 1 348.495 1.139 20 0 EDADMP Cc1ccncc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033415578 707791465 /nfs/dbraw/zinc/79/14/65/707791465.db2.gz JLZAIXZCAYOVAA-SJLPKXTDSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ccncc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415578 707791470 /nfs/dbraw/zinc/79/14/70/707791470.db2.gz JLZAIXZCAYOVAA-SJLPKXTDSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415578 707791474 /nfs/dbraw/zinc/79/14/74/707791474.db2.gz JLZAIXZCAYOVAA-SJLPKXTDSA-N 2 1 330.476 1.907 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)o1 ZINC001033419705 707828485 /nfs/dbraw/zinc/82/84/85/707828485.db2.gz KUAFVOGMZLJIDF-HOCLYGCPSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)o1 ZINC001033419705 707828487 /nfs/dbraw/zinc/82/84/87/707828487.db2.gz KUAFVOGMZLJIDF-HOCLYGCPSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)o1 ZINC001033419705 707828489 /nfs/dbraw/zinc/82/84/89/707828489.db2.gz KUAFVOGMZLJIDF-HOCLYGCPSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)o1 ZINC001033419705 707828491 /nfs/dbraw/zinc/82/84/91/707828491.db2.gz KUAFVOGMZLJIDF-HOCLYGCPSA-N 2 1 348.491 1.920 20 0 EDADMP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001000193661 707830378 /nfs/dbraw/zinc/83/03/78/707830378.db2.gz QRBKMQPWOBDFIO-GOEBONIOSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC001033229613 707884222 /nfs/dbraw/zinc/88/42/22/707884222.db2.gz UHXYAUSASMSIDO-MRXNPFEDSA-N 2 1 346.475 1.953 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC001033229613 707884225 /nfs/dbraw/zinc/88/42/25/707884225.db2.gz UHXYAUSASMSIDO-MRXNPFEDSA-N 2 1 346.475 1.953 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001033467509 707926205 /nfs/dbraw/zinc/92/62/05/707926205.db2.gz QHXSNQNBSRFKDM-IAGOWNOFSA-N 2 1 348.491 1.966 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001033467509 707926210 /nfs/dbraw/zinc/92/62/10/707926210.db2.gz QHXSNQNBSRFKDM-IAGOWNOFSA-N 2 1 348.491 1.966 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033473625 707962489 /nfs/dbraw/zinc/96/24/89/707962489.db2.gz CRFIQMBQTCNWFP-GOSISDBHSA-N 2 1 348.466 1.985 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033473625 707962495 /nfs/dbraw/zinc/96/24/95/707962495.db2.gz CRFIQMBQTCNWFP-GOSISDBHSA-N 2 1 348.466 1.985 20 0 EDADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccccc1 ZINC001032783289 707974004 /nfs/dbraw/zinc/97/40/04/707974004.db2.gz YVHRBZUDJIKIEW-IRXDYDNUSA-N 2 1 329.444 1.446 20 0 EDADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1 ZINC001032783289 707974006 /nfs/dbraw/zinc/97/40/06/707974006.db2.gz YVHRBZUDJIKIEW-IRXDYDNUSA-N 2 1 329.444 1.446 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033508408 707979633 /nfs/dbraw/zinc/97/96/33/707979633.db2.gz MKYPSFZUAQMVPV-CRAIPNDOSA-N 2 1 333.476 1.929 20 0 EDADMP CCN1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCc2ccccc2)C1 ZINC001032792578 708045728 /nfs/dbraw/zinc/04/57/28/708045728.db2.gz FRXBPFXFGSHFGV-FHWLQOOXSA-N 2 1 343.471 1.235 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(C)(C)C2)C1 ZINC001032793171 708052264 /nfs/dbraw/zinc/05/22/64/708052264.db2.gz WLRSSXOXLRNAFH-ULQDDVLXSA-N 2 1 335.492 1.428 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(C)(C)C2)C1 ZINC001032793171 708052265 /nfs/dbraw/zinc/05/22/65/708052265.db2.gz WLRSSXOXLRNAFH-ULQDDVLXSA-N 2 1 335.492 1.428 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(C)(C)C2)C1 ZINC001032793171 708052266 /nfs/dbraw/zinc/05/22/66/708052266.db2.gz WLRSSXOXLRNAFH-ULQDDVLXSA-N 2 1 335.492 1.428 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(C)(C)C2)C1 ZINC001032793171 708052267 /nfs/dbraw/zinc/05/22/67/708052267.db2.gz WLRSSXOXLRNAFH-ULQDDVLXSA-N 2 1 335.492 1.428 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001001005546 708081930 /nfs/dbraw/zinc/08/19/30/708081930.db2.gz CRLIADYGBOTUDE-NVXWUHKLSA-N 2 1 333.480 1.375 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC001060991119 708105473 /nfs/dbraw/zinc/10/54/73/708105473.db2.gz CJPIQSBHZSRJAR-GDBMZVCRSA-N 2 1 345.491 1.950 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC001060991119 708105476 /nfs/dbraw/zinc/10/54/76/708105476.db2.gz CJPIQSBHZSRJAR-GDBMZVCRSA-N 2 1 345.491 1.950 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005182815 708129811 /nfs/dbraw/zinc/12/98/11/708129811.db2.gz HAAIAVXRPAYGHU-AWEZNQCLSA-N 2 1 337.493 1.364 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005182815 708129814 /nfs/dbraw/zinc/12/98/14/708129814.db2.gz HAAIAVXRPAYGHU-AWEZNQCLSA-N 2 1 337.493 1.364 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1)OC ZINC001033530509 708150864 /nfs/dbraw/zinc/15/08/64/708150864.db2.gz CNYPFEPBRLRZCN-SJORKVTESA-N 2 1 325.497 1.676 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)c(C)n1 ZINC001033591950 708290287 /nfs/dbraw/zinc/29/02/87/708290287.db2.gz DGMTVYZQPQLITP-SFHVURJKSA-N 2 1 342.487 1.827 20 0 EDADMP Cc1ncc(CN2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033583602 708307293 /nfs/dbraw/zinc/30/72/93/708307293.db2.gz WEDHLGSVDAZZPP-RDJZCZTQSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001033583602 708307297 /nfs/dbraw/zinc/30/72/97/708307297.db2.gz WEDHLGSVDAZZPP-RDJZCZTQSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001033583602 708307301 /nfs/dbraw/zinc/30/73/01/708307301.db2.gz WEDHLGSVDAZZPP-RDJZCZTQSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033583602 708307305 /nfs/dbraw/zinc/30/73/05/708307305.db2.gz WEDHLGSVDAZZPP-RDJZCZTQSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033583602 708307309 /nfs/dbraw/zinc/30/73/09/708307309.db2.gz WEDHLGSVDAZZPP-RDJZCZTQSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c(C)o1 ZINC001001824377 708326798 /nfs/dbraw/zinc/32/67/98/708326798.db2.gz FCPRWSPSJKGUBC-SUMWQHHRSA-N 2 1 348.491 1.817 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c(C)o1 ZINC001001824377 708326800 /nfs/dbraw/zinc/32/68/00/708326800.db2.gz FCPRWSPSJKGUBC-SUMWQHHRSA-N 2 1 348.491 1.817 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001001835629 708340351 /nfs/dbraw/zinc/34/03/51/708340351.db2.gz YLGZUIBDEQPMGK-RDTXWAMCSA-N 2 1 348.466 1.747 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001001835629 708340355 /nfs/dbraw/zinc/34/03/55/708340355.db2.gz YLGZUIBDEQPMGK-RDTXWAMCSA-N 2 1 348.466 1.747 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)no1 ZINC001001833507 708359649 /nfs/dbraw/zinc/35/96/49/708359649.db2.gz MNZUKTSAZMIAAD-CXAGYDPISA-N 2 1 334.464 1.509 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)no1 ZINC001001833507 708359652 /nfs/dbraw/zinc/35/96/52/708359652.db2.gz MNZUKTSAZMIAAD-CXAGYDPISA-N 2 1 334.464 1.509 20 0 EDADMP Cc1cccc(OCC[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033663470 708443738 /nfs/dbraw/zinc/44/37/38/708443738.db2.gz VXFVRCYVIYRYQJ-ZWKOTPCHSA-N 2 1 345.487 1.858 20 0 EDADMP Cc1cccc(OCC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001033663470 708443741 /nfs/dbraw/zinc/44/37/41/708443741.db2.gz VXFVRCYVIYRYQJ-ZWKOTPCHSA-N 2 1 345.487 1.858 20 0 EDADMP Cc1cccc(OCC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033663470 708443745 /nfs/dbraw/zinc/44/37/45/708443745.db2.gz VXFVRCYVIYRYQJ-ZWKOTPCHSA-N 2 1 345.487 1.858 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)s1 ZINC001033664739 708446564 /nfs/dbraw/zinc/44/65/64/708446564.db2.gz IKUKZRUUHBBRLT-HNNXBMFYSA-N 2 1 347.488 1.998 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)s1 ZINC001033664739 708446566 /nfs/dbraw/zinc/44/65/66/708446566.db2.gz IKUKZRUUHBBRLT-HNNXBMFYSA-N 2 1 347.488 1.998 20 0 EDADMP CN(C)c1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033665943 708449613 /nfs/dbraw/zinc/44/96/13/708449613.db2.gz SKDCURPYSQMLKU-ROUUACIJSA-N 2 1 344.503 1.737 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033665943 708449615 /nfs/dbraw/zinc/44/96/15/708449615.db2.gz SKDCURPYSQMLKU-ROUUACIJSA-N 2 1 344.503 1.737 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033665943 708449618 /nfs/dbraw/zinc/44/96/18/708449618.db2.gz SKDCURPYSQMLKU-ROUUACIJSA-N 2 1 344.503 1.737 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001033666808 708453219 /nfs/dbraw/zinc/45/32/19/708453219.db2.gz ZSBYGOZSJFWAAY-QGZVFWFLSA-N 2 1 331.460 1.694 20 0 EDADMP CCN(C(=O)[C@@H]1CN(C)CCO1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033789406 708699851 /nfs/dbraw/zinc/69/98/51/708699851.db2.gz NXWAASOTXKICTK-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CN(C)CCO1)[C@@H]1CCN(Cc2cnccc2C)C1 ZINC001033790916 708715602 /nfs/dbraw/zinc/71/56/02/708715602.db2.gz ZWMQKYVQVXKXLS-MSOLQXFVSA-N 2 1 346.475 1.143 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(C)C)C3)C1 ZINC001040541322 708753827 /nfs/dbraw/zinc/75/38/27/708753827.db2.gz ZSYXMJKXADYJNC-MJGOQNOKSA-N 2 1 337.508 1.678 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(C)C)C3)C1 ZINC001040541322 708753828 /nfs/dbraw/zinc/75/38/28/708753828.db2.gz ZSYXMJKXADYJNC-MJGOQNOKSA-N 2 1 337.508 1.678 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(C)C)C3)C1 ZINC001040541322 708753829 /nfs/dbraw/zinc/75/38/29/708753829.db2.gz ZSYXMJKXADYJNC-MJGOQNOKSA-N 2 1 337.508 1.678 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(C)C)C3)C1 ZINC001040541322 708753830 /nfs/dbraw/zinc/75/38/30/708753830.db2.gz ZSYXMJKXADYJNC-MJGOQNOKSA-N 2 1 337.508 1.678 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005384649 708822395 /nfs/dbraw/zinc/82/23/95/708822395.db2.gz NGLXJTFODSGTRI-FUHWJXTLSA-N 2 1 337.508 1.819 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2ccnn2C)CC1 ZINC001005399453 708886327 /nfs/dbraw/zinc/88/63/27/708886327.db2.gz SIFMBLYCGSCFSO-SFHVURJKSA-N 2 1 345.491 1.185 20 0 EDADMP CCN1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(OC)c3)C2)C1 ZINC001016307036 708975680 /nfs/dbraw/zinc/97/56/80/708975680.db2.gz RXBKWIVIHZUGJY-AEFFLSMTSA-N 2 1 347.459 1.106 20 0 EDADMP CCN1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3cccc(OC)c3)C2)C1 ZINC001016307036 708975681 /nfs/dbraw/zinc/97/56/81/708975681.db2.gz RXBKWIVIHZUGJY-AEFFLSMTSA-N 2 1 347.459 1.106 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC001002477167 709014340 /nfs/dbraw/zinc/01/43/40/709014340.db2.gz XIMZLOXWARJWMI-KRWDZBQOSA-N 2 1 332.448 1.727 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC001002477167 709014344 /nfs/dbraw/zinc/01/43/44/709014344.db2.gz XIMZLOXWARJWMI-KRWDZBQOSA-N 2 1 332.448 1.727 20 0 EDADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001033990394 709197525 /nfs/dbraw/zinc/19/75/25/709197525.db2.gz UEDBIVXNSJDIFO-SFHVURJKSA-N 2 1 333.476 1.931 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001034013627 709227372 /nfs/dbraw/zinc/22/73/72/709227372.db2.gz PMWOBDAYVVWGLA-KRWDZBQOSA-N 2 1 328.460 1.600 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001034015188 709231030 /nfs/dbraw/zinc/23/10/30/709231030.db2.gz FJHAMCGELQFAEY-OAHLLOKOSA-N 2 1 332.448 1.502 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001034015188 709231032 /nfs/dbraw/zinc/23/10/32/709231032.db2.gz FJHAMCGELQFAEY-OAHLLOKOSA-N 2 1 332.448 1.502 20 0 EDADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034004685 709244212 /nfs/dbraw/zinc/24/42/12/709244212.db2.gz PJVFJQZDVKKNFX-NVXWUHKLSA-N 2 1 325.497 1.410 20 0 EDADMP CCc1onc(C)c1C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034037627 709269527 /nfs/dbraw/zinc/26/95/27/709269527.db2.gz CUQFRXGSOKBEFP-HZPDHXFCSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034037627 709269528 /nfs/dbraw/zinc/26/95/28/709269528.db2.gz CUQFRXGSOKBEFP-HZPDHXFCSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034037627 709269532 /nfs/dbraw/zinc/26/95/32/709269532.db2.gz CUQFRXGSOKBEFP-HZPDHXFCSA-N 2 1 348.491 1.920 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001034040672 709270165 /nfs/dbraw/zinc/27/01/65/709270165.db2.gz VVIZAIDDOVAHLQ-CVEARBPZSA-N 2 1 346.475 1.927 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001034040672 709270168 /nfs/dbraw/zinc/27/01/68/709270168.db2.gz VVIZAIDDOVAHLQ-CVEARBPZSA-N 2 1 346.475 1.927 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001034040672 709270169 /nfs/dbraw/zinc/27/01/69/709270169.db2.gz VVIZAIDDOVAHLQ-CVEARBPZSA-N 2 1 346.475 1.927 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001034040672 709270172 /nfs/dbraw/zinc/27/01/72/709270172.db2.gz VVIZAIDDOVAHLQ-CVEARBPZSA-N 2 1 346.475 1.927 20 0 EDADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034043428 709294316 /nfs/dbraw/zinc/29/43/16/709294316.db2.gz USUDGVFGFWSCCH-JKSUJKDBSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034043428 709294320 /nfs/dbraw/zinc/29/43/20/709294320.db2.gz USUDGVFGFWSCCH-JKSUJKDBSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034043428 709294323 /nfs/dbraw/zinc/29/43/23/709294323.db2.gz USUDGVFGFWSCCH-JKSUJKDBSA-N 2 1 348.491 1.920 20 0 EDADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034044437 709296211 /nfs/dbraw/zinc/29/62/11/709296211.db2.gz BABVXDGDAPLWJQ-YJBOKZPZSA-N 2 1 333.476 1.665 20 0 EDADMP Cc1cncc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001034138252 709388399 /nfs/dbraw/zinc/38/83/99/709388399.db2.gz OOXFIWLSUKZUCM-ZWKOTPCHSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1cncc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001034138252 709388401 /nfs/dbraw/zinc/38/84/01/709388401.db2.gz OOXFIWLSUKZUCM-ZWKOTPCHSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1cncc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001034138252 709388402 /nfs/dbraw/zinc/38/84/02/709388402.db2.gz OOXFIWLSUKZUCM-ZWKOTPCHSA-N 2 1 330.476 1.955 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCOCC2)C1 ZINC001034130557 709399699 /nfs/dbraw/zinc/39/96/99/709399699.db2.gz IOYPKACSALIMJE-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCOCC2)C1 ZINC001034130557 709399701 /nfs/dbraw/zinc/39/97/01/709399701.db2.gz IOYPKACSALIMJE-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCOCC2)C1 ZINC001034130557 709399703 /nfs/dbraw/zinc/39/97/03/709399703.db2.gz IOYPKACSALIMJE-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP CN1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001034148199 709418915 /nfs/dbraw/zinc/41/89/15/709418915.db2.gz GKQMOBGQMUFBQQ-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC3CCCC3)C2)C1 ZINC001034148199 709418916 /nfs/dbraw/zinc/41/89/16/709418916.db2.gz GKQMOBGQMUFBQQ-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC3CCCC3)C2)C1 ZINC001034148199 709418917 /nfs/dbraw/zinc/41/89/17/709418917.db2.gz GKQMOBGQMUFBQQ-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCC3CCCC3)C2)C1 ZINC001034148199 709418918 /nfs/dbraw/zinc/41/89/18/709418918.db2.gz GKQMOBGQMUFBQQ-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001034148199 709418919 /nfs/dbraw/zinc/41/89/19/709418919.db2.gz GKQMOBGQMUFBQQ-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001002822980 709432813 /nfs/dbraw/zinc/43/28/13/709432813.db2.gz JOCRFCFUFUBZQV-JKSUJKDBSA-N 2 1 337.508 1.602 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccc(F)cn3)CC2)CC[N@H+]1C ZINC001002852372 709462127 /nfs/dbraw/zinc/46/21/27/709462127.db2.gz OMHBWGVFGITBQP-CXAGYDPISA-N 2 1 334.439 1.642 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3ccc(F)cn3)CC2)CC[N@@H+]1C ZINC001002852372 709462128 /nfs/dbraw/zinc/46/21/28/709462128.db2.gz OMHBWGVFGITBQP-CXAGYDPISA-N 2 1 334.439 1.642 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3ccc(F)cn3)CC2)CC[N@H+]1C ZINC001002852372 709462129 /nfs/dbraw/zinc/46/21/29/709462129.db2.gz OMHBWGVFGITBQP-CXAGYDPISA-N 2 1 334.439 1.642 20 0 EDADMP Cn1nccc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034207704 709555815 /nfs/dbraw/zinc/55/58/15/709555815.db2.gz NSFYNBGHVWONTQ-WMZOPIPTSA-N 2 1 345.491 1.233 20 0 EDADMP Cn1nccc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034207704 709555818 /nfs/dbraw/zinc/55/58/18/709555818.db2.gz NSFYNBGHVWONTQ-WMZOPIPTSA-N 2 1 345.491 1.233 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnoc2C)CC1 ZINC001002955411 709657080 /nfs/dbraw/zinc/65/70/80/709657080.db2.gz NJPDJNBQMJUXMP-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP COCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289565 709713498 /nfs/dbraw/zinc/71/34/98/709713498.db2.gz VFZKGYCFXAVNGB-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP COCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034289565 709713502 /nfs/dbraw/zinc/71/35/02/709713502.db2.gz VFZKGYCFXAVNGB-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP COCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034289565 709713505 /nfs/dbraw/zinc/71/35/05/709713505.db2.gz VFZKGYCFXAVNGB-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP O=C(N[C@@H]1CCCC[N@H+](CCCF)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034319522 709768844 /nfs/dbraw/zinc/76/88/44/709768844.db2.gz IKENGXJOAAHGBL-GARNVTTQSA-N 2 1 339.455 1.180 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CCCF)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001034319522 709768846 /nfs/dbraw/zinc/76/88/46/709768846.db2.gz IKENGXJOAAHGBL-GARNVTTQSA-N 2 1 339.455 1.180 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CCCF)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001034319522 709768848 /nfs/dbraw/zinc/76/88/48/709768848.db2.gz IKENGXJOAAHGBL-GARNVTTQSA-N 2 1 339.455 1.180 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034362691 709879119 /nfs/dbraw/zinc/87/91/19/709879119.db2.gz IKJAZLFYEOBTQL-DLBZAZTESA-N 2 1 325.497 1.866 20 0 EDADMP CCCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034362691 709879122 /nfs/dbraw/zinc/87/91/22/709879122.db2.gz IKJAZLFYEOBTQL-DLBZAZTESA-N 2 1 325.497 1.866 20 0 EDADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034362691 709879126 /nfs/dbraw/zinc/87/91/26/709879126.db2.gz IKJAZLFYEOBTQL-DLBZAZTESA-N 2 1 325.497 1.866 20 0 EDADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034362691 709879130 /nfs/dbraw/zinc/87/91/30/709879130.db2.gz IKJAZLFYEOBTQL-DLBZAZTESA-N 2 1 325.497 1.866 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)ncn1 ZINC001034395245 709932663 /nfs/dbraw/zinc/93/26/63/709932663.db2.gz WMKCFBIJASIBJL-DOTOQJQBSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)ncn1 ZINC001034395245 709932667 /nfs/dbraw/zinc/93/26/67/709932667.db2.gz WMKCFBIJASIBJL-DOTOQJQBSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)ncn1 ZINC001034395245 709932671 /nfs/dbraw/zinc/93/26/71/709932671.db2.gz WMKCFBIJASIBJL-DOTOQJQBSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)ncn1 ZINC001034395245 709932675 /nfs/dbraw/zinc/93/26/75/709932675.db2.gz WMKCFBIJASIBJL-DOTOQJQBSA-N 2 1 345.491 1.598 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3cnn(C)c3)C2)C1 ZINC001034396728 709936169 /nfs/dbraw/zinc/93/61/69/709936169.db2.gz GRFBQCWEPATWQS-WBVHZDCISA-N 2 1 333.480 1.233 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3cnn(C)c3)C2)C1 ZINC001034396728 709936172 /nfs/dbraw/zinc/93/61/72/709936172.db2.gz GRFBQCWEPATWQS-WBVHZDCISA-N 2 1 333.480 1.233 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](Cc3cnn(C)c3)C2)C1 ZINC001034396728 709936176 /nfs/dbraw/zinc/93/61/76/709936176.db2.gz GRFBQCWEPATWQS-WBVHZDCISA-N 2 1 333.480 1.233 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](Cc3cnn(C)c3)C2)C1 ZINC001034396728 709936181 /nfs/dbraw/zinc/93/61/81/709936181.db2.gz GRFBQCWEPATWQS-WBVHZDCISA-N 2 1 333.480 1.233 20 0 EDADMP Cc1oncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034397171 709936610 /nfs/dbraw/zinc/93/66/10/709936610.db2.gz JDQDHHVFLKCYSK-RHSMWYFYSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1oncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034397171 709936612 /nfs/dbraw/zinc/93/66/12/709936612.db2.gz JDQDHHVFLKCYSK-RHSMWYFYSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1oncc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397171 709936614 /nfs/dbraw/zinc/93/66/14/709936614.db2.gz JDQDHHVFLKCYSK-RHSMWYFYSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1oncc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397171 709936615 /nfs/dbraw/zinc/93/66/15/709936615.db2.gz JDQDHHVFLKCYSK-RHSMWYFYSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CC2CCOCC2)C1 ZINC001034398156 709939382 /nfs/dbraw/zinc/93/93/82/709939382.db2.gz MXZRLISTEHZJHV-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC001034398156 709939384 /nfs/dbraw/zinc/93/93/84/709939384.db2.gz MXZRLISTEHZJHV-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCOCC2)C1 ZINC001034398156 709939385 /nfs/dbraw/zinc/93/93/85/709939385.db2.gz MXZRLISTEHZJHV-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCC3CCCC3)CC2)O1 ZINC001003132485 710016690 /nfs/dbraw/zinc/01/66/90/710016690.db2.gz CWRRKZCLRNLPTQ-CRAIPNDOSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCC3CCCC3)CC2)O1 ZINC001003132485 710016694 /nfs/dbraw/zinc/01/66/94/710016694.db2.gz CWRRKZCLRNLPTQ-CRAIPNDOSA-N 2 1 337.508 1.866 20 0 EDADMP COC[C@H](C)[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034463752 710033557 /nfs/dbraw/zinc/03/35/57/710033557.db2.gz VNGBQNSMYVOKQT-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001003161687 710071688 /nfs/dbraw/zinc/07/16/88/710071688.db2.gz WTIQCRICLMKLMO-QGZVFWFLSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001003161687 710071693 /nfs/dbraw/zinc/07/16/93/710071693.db2.gz WTIQCRICLMKLMO-QGZVFWFLSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1nocc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034490042 710107914 /nfs/dbraw/zinc/10/79/14/710107914.db2.gz IHRCXMNYXLGKPR-DOTOQJQBSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nocc1C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490042 710107916 /nfs/dbraw/zinc/10/79/16/710107916.db2.gz IHRCXMNYXLGKPR-DOTOQJQBSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nocc1C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490042 710107920 /nfs/dbraw/zinc/10/79/20/710107920.db2.gz IHRCXMNYXLGKPR-DOTOQJQBSA-N 2 1 334.464 1.796 20 0 EDADMP Cn1cc(C[N@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490460 710108978 /nfs/dbraw/zinc/10/89/78/710108978.db2.gz LMYHIGDEKFWFKJ-WBVHZDCISA-N 2 1 333.480 1.233 20 0 EDADMP Cn1cc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034490460 710108980 /nfs/dbraw/zinc/10/89/80/710108980.db2.gz LMYHIGDEKFWFKJ-WBVHZDCISA-N 2 1 333.480 1.233 20 0 EDADMP Cn1cc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034490460 710108982 /nfs/dbraw/zinc/10/89/82/710108982.db2.gz LMYHIGDEKFWFKJ-WBVHZDCISA-N 2 1 333.480 1.233 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001034525647 710176327 /nfs/dbraw/zinc/17/63/27/710176327.db2.gz NRZLHAAPBMJGEO-CABCVRRESA-N 2 1 329.435 1.954 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034525647 710176329 /nfs/dbraw/zinc/17/63/29/710176329.db2.gz NRZLHAAPBMJGEO-CABCVRRESA-N 2 1 329.435 1.954 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034525647 710176330 /nfs/dbraw/zinc/17/63/30/710176330.db2.gz NRZLHAAPBMJGEO-CABCVRRESA-N 2 1 329.435 1.954 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3cc(C4CC4)no3)C2)C1 ZINC001034525822 710177050 /nfs/dbraw/zinc/17/70/50/710177050.db2.gz QEOYKPWRXJVDMQ-HOTGVXAUSA-N 2 1 346.475 1.974 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3cc(C4CC4)no3)C2)C1 ZINC001034525822 710177053 /nfs/dbraw/zinc/17/70/53/710177053.db2.gz QEOYKPWRXJVDMQ-HOTGVXAUSA-N 2 1 346.475 1.974 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cc(C4CC4)no3)C2)C1 ZINC001034525822 710177056 /nfs/dbraw/zinc/17/70/56/710177056.db2.gz QEOYKPWRXJVDMQ-HOTGVXAUSA-N 2 1 346.475 1.974 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cc(C4CC4)no3)C2)C1 ZINC001034525822 710177059 /nfs/dbraw/zinc/17/70/59/710177059.db2.gz QEOYKPWRXJVDMQ-HOTGVXAUSA-N 2 1 346.475 1.974 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](C[C@H]2CCCCO2)C1 ZINC001034529461 710184255 /nfs/dbraw/zinc/18/42/55/710184255.db2.gz HOSHOEQCHDMOKS-IAGOWNOFSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001034529461 710184256 /nfs/dbraw/zinc/18/42/56/710184256.db2.gz HOSHOEQCHDMOKS-IAGOWNOFSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001034529455 710184948 /nfs/dbraw/zinc/18/49/48/710184948.db2.gz HLFUEHZPLLIBME-SJORKVTESA-N 2 1 348.491 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001034529455 710184950 /nfs/dbraw/zinc/18/49/50/710184950.db2.gz HLFUEHZPLLIBME-SJORKVTESA-N 2 1 348.491 1.977 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001061757674 710201343 /nfs/dbraw/zinc/20/13/43/710201343.db2.gz NCHVHOUSVXDTLT-DLBZAZTESA-N 2 1 345.491 1.910 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001061757674 710201348 /nfs/dbraw/zinc/20/13/48/710201348.db2.gz NCHVHOUSVXDTLT-DLBZAZTESA-N 2 1 345.491 1.910 20 0 EDADMP CC[C@H](C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003333240 710257424 /nfs/dbraw/zinc/25/74/24/710257424.db2.gz QIUBSIBQXFKQPI-CKXIEVRYSA-N 2 1 335.492 1.476 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001003375361 710293485 /nfs/dbraw/zinc/29/34/85/710293485.db2.gz NHWNAEZHNFZIEL-GOSISDBHSA-N 2 1 345.491 1.375 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034647268 710323846 /nfs/dbraw/zinc/32/38/46/710323846.db2.gz BXNXYTBDFNXBST-KBUPBQIOSA-N 2 1 335.452 1.235 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001034647258 710323894 /nfs/dbraw/zinc/32/38/94/710323894.db2.gz BKOJYYIHPXFOSO-NMFUWQPSSA-N 2 1 335.452 1.235 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001034647258 710323897 /nfs/dbraw/zinc/32/38/97/710323897.db2.gz BKOJYYIHPXFOSO-NMFUWQPSSA-N 2 1 335.452 1.235 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCCCO3)CC2)CC[N@H+]1C ZINC001003509221 710390254 /nfs/dbraw/zinc/39/02/54/710390254.db2.gz ZIFQMCDTVSQSMR-XYJFISCASA-N 2 1 337.508 1.866 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003547687 710413856 /nfs/dbraw/zinc/41/38/56/710413856.db2.gz KZBGAXPWVGJYCJ-UHFFFAOYSA-N 2 1 331.464 1.207 20 0 EDADMP CCn1cc(CC[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001003626105 710455253 /nfs/dbraw/zinc/45/52/53/710455253.db2.gz MFMVNQQLHLWLHS-INIZCTEOSA-N 2 1 347.507 1.368 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CCc2ccns2)CC1 ZINC001003636618 710456863 /nfs/dbraw/zinc/45/68/63/710456863.db2.gz WXVCTTXFFKOKRP-BBRMVZONSA-N 2 1 336.505 1.464 20 0 EDADMP Cc1csc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001003636882 710461902 /nfs/dbraw/zinc/46/19/02/710461902.db2.gz YEZDFIRDBNFCMO-SWLSCSKDSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1csc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001003636882 710461904 /nfs/dbraw/zinc/46/19/04/710461904.db2.gz YEZDFIRDBNFCMO-SWLSCSKDSA-N 2 1 336.505 1.730 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](CC)C(N)=O)CC1 ZINC001034659664 710589104 /nfs/dbraw/zinc/58/91/04/710589104.db2.gz WWBDWUHAWGRBCP-YHUYYLMFSA-N 2 1 338.496 1.142 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1)c1nncn1C ZINC001034673926 710613454 /nfs/dbraw/zinc/61/34/54/710613454.db2.gz HDZVNOKQRBWGRN-KLHDSHLOSA-N 2 1 348.495 1.377 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001005592442 710639463 /nfs/dbraw/zinc/63/94/63/710639463.db2.gz MNFQXXXZJAAWCQ-AEFFLSMTSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001005591955 710650055 /nfs/dbraw/zinc/65/00/55/710650055.db2.gz JOUHKLJONGBPOE-CRAIPNDOSA-N 2 1 345.491 1.945 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001005591955 710650059 /nfs/dbraw/zinc/65/00/59/710650059.db2.gz JOUHKLJONGBPOE-CRAIPNDOSA-N 2 1 345.491 1.945 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3nncs3)CC2)C1 ZINC001034734012 710914570 /nfs/dbraw/zinc/91/45/70/710914570.db2.gz GWIPBASUESVXJH-MGPQQGTHSA-N 2 1 337.493 1.397 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001032960304 710968838 /nfs/dbraw/zinc/96/88/38/710968838.db2.gz QSUFCKOWNDKPRL-LSDHHAIUSA-N 2 1 339.871 1.163 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001032960304 710968841 /nfs/dbraw/zinc/96/88/41/710968841.db2.gz QSUFCKOWNDKPRL-LSDHHAIUSA-N 2 1 339.871 1.163 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCn2cc(Cl)cn2)C1 ZINC001032960304 710968843 /nfs/dbraw/zinc/96/88/43/710968843.db2.gz QSUFCKOWNDKPRL-LSDHHAIUSA-N 2 1 339.871 1.163 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCn2cc(Cl)cn2)C1 ZINC001032960304 710968845 /nfs/dbraw/zinc/96/88/45/710968845.db2.gz QSUFCKOWNDKPRL-LSDHHAIUSA-N 2 1 339.871 1.163 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC001032960369 710969379 /nfs/dbraw/zinc/96/93/79/710969379.db2.gz RKTPEKUXTAPXGV-AEFFLSMTSA-N 2 1 349.450 1.445 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC001032960369 710969382 /nfs/dbraw/zinc/96/93/82/710969382.db2.gz RKTPEKUXTAPXGV-AEFFLSMTSA-N 2 1 349.450 1.445 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cc(CO)ccc2F)C1 ZINC001032960369 710969384 /nfs/dbraw/zinc/96/93/84/710969384.db2.gz RKTPEKUXTAPXGV-AEFFLSMTSA-N 2 1 349.450 1.445 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cc(CO)ccc2F)C1 ZINC001032960369 710969387 /nfs/dbraw/zinc/96/93/87/710969387.db2.gz RKTPEKUXTAPXGV-AEFFLSMTSA-N 2 1 349.450 1.445 20 0 EDADMP Cc1nsc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032965932 711019510 /nfs/dbraw/zinc/01/95/10/711019510.db2.gz ALDROEMXJFBQCQ-ZBFHGGJFSA-N 2 1 336.505 1.887 20 0 EDADMP Cc1nsc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032965932 711019516 /nfs/dbraw/zinc/01/95/16/711019516.db2.gz ALDROEMXJFBQCQ-ZBFHGGJFSA-N 2 1 336.505 1.887 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032965932 711019521 /nfs/dbraw/zinc/01/95/21/711019521.db2.gz ALDROEMXJFBQCQ-ZBFHGGJFSA-N 2 1 336.505 1.887 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032965932 711019525 /nfs/dbraw/zinc/01/95/25/711019525.db2.gz ALDROEMXJFBQCQ-ZBFHGGJFSA-N 2 1 336.505 1.887 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001034775678 711049494 /nfs/dbraw/zinc/04/94/94/711049494.db2.gz FXUAEMCOYPMGLS-SLBVQIDZSA-N 2 1 349.479 1.798 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003968103 711139202 /nfs/dbraw/zinc/13/92/02/711139202.db2.gz QRKAUMQRCHXNCH-OAHLLOKOSA-N 2 1 334.464 1.714 20 0 EDADMP CN(C(=O)Cn1c[nH+]c2c1CCCC2)C1CC[NH+](CCCO)CC1 ZINC001005723742 711150132 /nfs/dbraw/zinc/15/01/32/711150132.db2.gz VQNCELGQGKZOFG-UHFFFAOYSA-N 2 1 334.464 1.067 20 0 EDADMP COCC[NH+]1CCC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001005724681 711173718 /nfs/dbraw/zinc/17/37/18/711173718.db2.gz XYVDCKZUWJAPBA-UHFFFAOYSA-N 2 1 334.464 1.331 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CCC[C@H]3CCOC3)CC2)C1 ZINC001003976801 711179140 /nfs/dbraw/zinc/17/91/40/711179140.db2.gz RVIRGIGJTBINSX-IRXDYDNUSA-N 2 1 337.508 1.726 20 0 EDADMP O=C(NCc1ccc(C[NH2+]CC2CC2)cc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001034818181 711204086 /nfs/dbraw/zinc/20/40/86/711204086.db2.gz CWDJKGWDUVCHDO-MOPGFXCFSA-N 2 1 343.471 1.666 20 0 EDADMP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)cc1 ZINC001034821600 711222673 /nfs/dbraw/zinc/22/26/73/711222673.db2.gz DHSCJNIKNKXLRC-QPIRBTGLSA-N 2 1 343.471 1.664 20 0 EDADMP CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)cc1 ZINC001034823091 711224587 /nfs/dbraw/zinc/22/45/87/711224587.db2.gz RDZMETWYXAVHPT-TVRKMHQQSA-N 2 1 329.444 1.276 20 0 EDADMP CCc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)cs1 ZINC001034885562 711290118 /nfs/dbraw/zinc/29/01/18/711290118.db2.gz WHESJLAUIJWELK-HUUCEWRRSA-N 2 1 336.505 1.880 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccnc(N(C)C)n1)C2 ZINC000922387389 711426968 /nfs/dbraw/zinc/42/69/68/711426968.db2.gz KLQYXHOUAQVXNH-XLMAVXFVSA-N 2 1 333.480 1.112 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)cn1 ZINC001034957683 711429799 /nfs/dbraw/zinc/42/97/99/711429799.db2.gz FAYZHUGKNHSFFP-QGZVFWFLSA-N 2 1 331.464 1.350 20 0 EDADMP CC(C)n1cc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)nn1 ZINC001034957805 711430588 /nfs/dbraw/zinc/43/05/88/711430588.db2.gz KBNWLWNIANYEHJ-QGZVFWFLSA-N 2 1 348.495 1.424 20 0 EDADMP CC(C)n1cc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001034957805 711430591 /nfs/dbraw/zinc/43/05/91/711430591.db2.gz KBNWLWNIANYEHJ-QGZVFWFLSA-N 2 1 348.495 1.424 20 0 EDADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001034958285 711431792 /nfs/dbraw/zinc/43/17/92/711431792.db2.gz GNKYLCWOSMULGR-QZTJIDSGSA-N 2 1 347.507 1.584 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cncn1C ZINC001034958861 711432616 /nfs/dbraw/zinc/43/26/16/711432616.db2.gz MRFUAPGAXSQTDE-IAGOWNOFSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1conc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001034940746 711444508 /nfs/dbraw/zinc/44/45/08/711444508.db2.gz HTRCXKCSNQBOMK-HZPDHXFCSA-N 2 1 332.448 1.405 20 0 EDADMP O=C(N1CCC[C@@H]1C[NH2+]Cc1ncccn1)C12CCC[NH+](CCC1)C2 ZINC001034970135 711449419 /nfs/dbraw/zinc/44/94/19/711449419.db2.gz WAOQTVLRMLINEF-MRXNPFEDSA-N 2 1 343.475 1.433 20 0 EDADMP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1 ZINC001034971835 711451637 /nfs/dbraw/zinc/45/16/37/711451637.db2.gz WNYBODDLBZSEMH-BHIYHBOVSA-N 2 1 345.487 1.795 20 0 EDADMP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1 ZINC001034971835 711451638 /nfs/dbraw/zinc/45/16/38/711451638.db2.gz WNYBODDLBZSEMH-BHIYHBOVSA-N 2 1 345.487 1.795 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(OC)n3)C2)[C@H]1C(C)C ZINC000922395581 711469146 /nfs/dbraw/zinc/46/91/46/711469146.db2.gz UAQIZZKNJMXOLM-YFHUEUNASA-N 2 1 334.464 1.445 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000922411447 711486561 /nfs/dbraw/zinc/48/65/61/711486561.db2.gz AGLVYFNSMKHAMT-QBYUYEEZSA-N 2 1 348.495 1.195 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC[NH+]1C ZINC000922411447 711486563 /nfs/dbraw/zinc/48/65/63/711486563.db2.gz AGLVYFNSMKHAMT-QBYUYEEZSA-N 2 1 348.495 1.195 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC[NH+]1C ZINC000922411447 711486565 /nfs/dbraw/zinc/48/65/65/711486565.db2.gz AGLVYFNSMKHAMT-QBYUYEEZSA-N 2 1 348.495 1.195 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](CCCC2CCOCC2)CC1 ZINC001004153232 711550150 /nfs/dbraw/zinc/55/01/50/711550150.db2.gz YIIXXHMWJDAWDV-UHFFFAOYSA-N 2 1 348.491 1.979 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)C1 ZINC001004149113 711563159 /nfs/dbraw/zinc/56/31/59/711563159.db2.gz FNHITHUMHKLNTP-KBPBESRZSA-N 2 1 329.435 1.954 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001004151755 711569489 /nfs/dbraw/zinc/56/94/89/711569489.db2.gz LWLPWNVFUMABRW-QGZVFWFLSA-N 2 1 334.464 1.731 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2cccnc2)C1 ZINC001033126419 711889733 /nfs/dbraw/zinc/88/97/33/711889733.db2.gz MWPVHSPHPKKCMF-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033126419 711889734 /nfs/dbraw/zinc/88/97/34/711889734.db2.gz MWPVHSPHPKKCMF-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033126419 711889736 /nfs/dbraw/zinc/88/97/36/711889736.db2.gz MWPVHSPHPKKCMF-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033126419 711889738 /nfs/dbraw/zinc/88/97/38/711889738.db2.gz MWPVHSPHPKKCMF-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033126419 711889739 /nfs/dbraw/zinc/88/97/39/711889739.db2.gz MWPVHSPHPKKCMF-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)o1 ZINC001033144591 711980771 /nfs/dbraw/zinc/98/07/71/711980771.db2.gz YWSNZUUJZXLEAG-IAGOWNOFSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)o1 ZINC001033144591 711980772 /nfs/dbraw/zinc/98/07/72/711980772.db2.gz YWSNZUUJZXLEAG-IAGOWNOFSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)o1 ZINC001033144591 711980775 /nfs/dbraw/zinc/98/07/75/711980775.db2.gz YWSNZUUJZXLEAG-IAGOWNOFSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)o1 ZINC001033144591 711980777 /nfs/dbraw/zinc/98/07/77/711980777.db2.gz YWSNZUUJZXLEAG-IAGOWNOFSA-N 2 1 348.491 1.994 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC([C@@H]2CCC[N@H+]2CCF)CC1 ZINC001004578401 712009501 /nfs/dbraw/zinc/00/95/01/712009501.db2.gz VNMFAJBVFWLAQL-KRWDZBQOSA-N 2 1 341.471 1.381 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC([C@@H]2CCC[N@@H+]2CCF)CC1 ZINC001004578401 712009503 /nfs/dbraw/zinc/00/95/03/712009503.db2.gz VNMFAJBVFWLAQL-KRWDZBQOSA-N 2 1 341.471 1.381 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000159040419 530001406 /nfs/dbraw/zinc/00/14/06/530001406.db2.gz ULMQCNOUSMHTGS-IEBWSBKVSA-N 2 1 344.503 1.433 20 0 EDADMP C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000181656324 530050105 /nfs/dbraw/zinc/05/01/05/530050105.db2.gz ZYEOWNQEMQYTHD-GOSISDBHSA-N 2 1 346.475 1.147 20 0 EDADMP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)CC(=O)N1C ZINC000330195949 539508237 /nfs/dbraw/zinc/50/82/37/539508237.db2.gz PMCLQWNXGIHTHS-VQIMIIECSA-N 2 1 347.507 1.771 20 0 EDADMP COC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CCCC1 ZINC000446827334 292833985 /nfs/dbraw/zinc/83/39/85/292833985.db2.gz SWRPYKNOHRSBOR-QGZVFWFLSA-N 2 1 325.497 1.724 20 0 EDADMP c1cnc(N2CCN(CCC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000339066706 539700393 /nfs/dbraw/zinc/70/03/93/539700393.db2.gz DMAYSUGEVZDANV-ROUUACIJSA-N 2 1 344.507 1.205 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000561645193 306289851 /nfs/dbraw/zinc/28/98/51/306289851.db2.gz WZELPKRTHHFVAZ-UHFFFAOYSA-N 2 1 340.512 1.167 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000561645193 306289852 /nfs/dbraw/zinc/28/98/52/306289852.db2.gz WZELPKRTHHFVAZ-UHFFFAOYSA-N 2 1 340.512 1.167 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000561645193 306289853 /nfs/dbraw/zinc/28/98/53/306289853.db2.gz WZELPKRTHHFVAZ-UHFFFAOYSA-N 2 1 340.512 1.167 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)C1 ZINC000236781710 535116558 /nfs/dbraw/zinc/11/65/58/535116558.db2.gz SCUDKURVANGJBD-NVXWUHKLSA-N 2 1 325.497 1.485 20 0 EDADMP Cc1nn(C)c2ncc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc12 ZINC000562329038 306295693 /nfs/dbraw/zinc/29/56/93/306295693.db2.gz CEMGHWNKZTVMDL-ROUUACIJSA-N 2 1 343.475 1.744 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)[N@H+](C)C1 ZINC000345094605 539824208 /nfs/dbraw/zinc/82/42/08/539824208.db2.gz XPCGXBBFKZPSMQ-WMZOPIPTSA-N 2 1 344.459 1.861 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)[N@@H+](C)C1 ZINC000345094605 539824213 /nfs/dbraw/zinc/82/42/13/539824213.db2.gz XPCGXBBFKZPSMQ-WMZOPIPTSA-N 2 1 344.459 1.861 20 0 EDADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000347329546 539863813 /nfs/dbraw/zinc/86/38/13/539863813.db2.gz YKSRHZQUZRDISJ-DZVNLGKHSA-N 2 1 325.497 1.015 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)[N@H+](C)C1 ZINC000347675199 539868170 /nfs/dbraw/zinc/86/81/70/539868170.db2.gz VMKJJLAKLGZLQC-HOTGVXAUSA-N 2 1 325.497 1.819 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)[N@@H+](C)C1 ZINC000347675199 539868175 /nfs/dbraw/zinc/86/81/75/539868175.db2.gz VMKJJLAKLGZLQC-HOTGVXAUSA-N 2 1 325.497 1.819 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CCc1ccn(-c2ccc(F)cc2)n1)C1CC1 ZINC000563529551 306337261 /nfs/dbraw/zinc/33/72/61/306337261.db2.gz ACLNJGDYXXQINB-GOSISDBHSA-N 2 1 332.423 1.599 20 0 EDADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000091892729 138285744 /nfs/dbraw/zinc/28/57/44/138285744.db2.gz KSVSQWNRUJXGHX-MSOLQXFVSA-N 2 1 344.507 1.287 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000091892729 138285745 /nfs/dbraw/zinc/28/57/45/138285745.db2.gz KSVSQWNRUJXGHX-MSOLQXFVSA-N 2 1 344.507 1.287 20 0 EDADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004548 138277154 /nfs/dbraw/zinc/27/71/54/138277154.db2.gz FSPXDXYWTIQNGH-HZPDHXFCSA-N 2 1 336.480 1.606 20 0 EDADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004548 138277155 /nfs/dbraw/zinc/27/71/55/138277155.db2.gz FSPXDXYWTIQNGH-HZPDHXFCSA-N 2 1 336.480 1.606 20 0 EDADMP O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)NC1CC[NH+](C2CC2)CC1 ZINC000090519486 138279383 /nfs/dbraw/zinc/27/93/83/138279383.db2.gz KZOVNQFYMTYNLE-IRXDYDNUSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)NC1CC[NH+](C2CC2)CC1 ZINC000090519486 138279384 /nfs/dbraw/zinc/27/93/84/138279384.db2.gz KZOVNQFYMTYNLE-IRXDYDNUSA-N 2 1 336.480 1.166 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107844948 138304679 /nfs/dbraw/zinc/30/46/79/138304679.db2.gz YSNAXFWSYYDLNT-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+]1CCN([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000125750866 138336100 /nfs/dbraw/zinc/33/61/00/138336100.db2.gz IYJFQEIRQZFASF-MJGOQNOKSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(O)CC1 ZINC000126245624 138337830 /nfs/dbraw/zinc/33/78/30/138337830.db2.gz RTVGDVVCBLGKMG-WBVHZDCISA-N 2 1 331.460 1.222 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(O)CC1 ZINC000126245624 138337831 /nfs/dbraw/zinc/33/78/31/138337831.db2.gz RTVGDVVCBLGKMG-WBVHZDCISA-N 2 1 331.460 1.222 20 0 EDADMP CC[N@@H+](CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C1CC1 ZINC000131944482 138368340 /nfs/dbraw/zinc/36/83/40/138368340.db2.gz XSQZYFHVNFIKGP-HZPDHXFCSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCSCC1 ZINC000132256910 138373876 /nfs/dbraw/zinc/37/38/76/138373876.db2.gz SENWYORTIOAQMS-LSDHHAIUSA-N 2 1 341.521 1.041 20 0 EDADMP C[NH+]1CCN(C(=O)C2CC[NH+](CC3Cc4ccccc4C3)CC2)CC1 ZINC000563658486 306343790 /nfs/dbraw/zinc/34/37/90/306343790.db2.gz VAIKUUYSJDTUCZ-UHFFFAOYSA-N 2 1 341.499 1.887 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000563799018 306347431 /nfs/dbraw/zinc/34/74/31/306347431.db2.gz IIOADASQUPPADO-ZACQAIPSSA-N 2 1 338.496 1.128 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000565155702 306376345 /nfs/dbraw/zinc/37/63/45/306376345.db2.gz GULPAHKCRSTHAW-ZMSDIMECSA-N 2 1 339.842 1.803 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000565354565 306382222 /nfs/dbraw/zinc/38/22/22/306382222.db2.gz OIAIOAGQRKBOHP-YZGWKJHDSA-N 2 1 347.503 1.956 20 0 EDADMP COC(=O)c1cnc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)s1 ZINC000414096179 304100045 /nfs/dbraw/zinc/10/00/45/304100045.db2.gz HLUFBCHKQYCUNV-GFCCVEGCSA-N 2 1 340.493 1.606 20 0 EDADMP C[N@@H+](CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)C1CCCC1 ZINC000565645297 306388569 /nfs/dbraw/zinc/38/85/69/306388569.db2.gz YGYFHHUBRGXBBG-UHFFFAOYSA-N 2 1 344.459 1.261 20 0 EDADMP CC(C)N1CC[NH+](CCCN2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000565775609 306391280 /nfs/dbraw/zinc/39/12/80/306391280.db2.gz FPDHRAFQDJALKE-FQEVSTJZSA-N 2 1 330.520 1.961 20 0 EDADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377693333 291306777 /nfs/dbraw/zinc/30/67/77/291306777.db2.gz KJMCMBODTRERDR-FUHWJXTLSA-N 2 1 344.507 1.287 20 0 EDADMP C[C@@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[C@H](C)[NH3+] ZINC000417580804 296077693 /nfs/dbraw/zinc/07/76/93/296077693.db2.gz GDLXJJGBYVILHN-LSDHHAIUSA-N 2 1 340.512 1.835 20 0 EDADMP COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414696637 304129043 /nfs/dbraw/zinc/12/90/43/304129043.db2.gz GSORGXLIPYFITA-OAHLLOKOSA-N 2 1 333.432 1.102 20 0 EDADMP Cc1ccccc1OCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414699504 304129149 /nfs/dbraw/zinc/12/91/49/304129149.db2.gz ILFYUNYQYVRVNO-KRWDZBQOSA-N 2 1 333.476 1.893 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000414700988 304129760 /nfs/dbraw/zinc/12/97/60/304129760.db2.gz JVSGPQMFLVKRLH-UONOGXRCSA-N 2 1 332.448 1.635 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000414741420 304135729 /nfs/dbraw/zinc/13/57/29/304135729.db2.gz KXJSAUIQACIJGI-LSDHHAIUSA-N 2 1 346.475 1.581 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414793135 304141340 /nfs/dbraw/zinc/14/13/40/304141340.db2.gz DFJCSESKHQGTER-UHFFFAOYSA-N 2 1 330.432 1.171 20 0 EDADMP CCOc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1O[C@@H](C)C(=O)N(C)C ZINC000415036384 304152838 /nfs/dbraw/zinc/15/28/38/304152838.db2.gz LTCCVICWQDGOOT-CTNYNGJSSA-N 2 1 347.459 1.248 20 0 EDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000415098476 304159639 /nfs/dbraw/zinc/15/96/39/304159639.db2.gz FECGJONYJWCKHX-QRQLOZEOSA-N 2 1 345.487 1.577 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000236607026 139026886 /nfs/dbraw/zinc/02/68/86/139026886.db2.gz XOUKFWJDAKPFGX-GOSISDBHSA-N 2 1 332.492 1.537 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236759127 139030540 /nfs/dbraw/zinc/03/05/40/139030540.db2.gz MKRRNIGOWQAZTN-ROUUACIJSA-N 2 1 333.476 1.719 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236759127 139030541 /nfs/dbraw/zinc/03/05/41/139030541.db2.gz MKRRNIGOWQAZTN-ROUUACIJSA-N 2 1 333.476 1.719 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000237184167 139043269 /nfs/dbraw/zinc/04/32/69/139043269.db2.gz NUZPMYNWVVHJGZ-GFCCVEGCSA-N 2 1 325.403 1.901 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000415172325 304170489 /nfs/dbraw/zinc/17/04/89/304170489.db2.gz OCJJXCGNVFHBQY-KRWDZBQOSA-N 2 1 346.475 1.533 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000415172325 304170490 /nfs/dbraw/zinc/17/04/90/304170490.db2.gz OCJJXCGNVFHBQY-KRWDZBQOSA-N 2 1 346.475 1.533 20 0 EDADMP C[C@H](CNC(=O)C1CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000237380850 139049775 /nfs/dbraw/zinc/04/97/75/139049775.db2.gz ZBDFACIWLQOCBO-MRXNPFEDSA-N 2 1 330.476 1.313 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000414911844 284349712 /nfs/dbraw/zinc/34/97/12/284349712.db2.gz TYDFJOCVBSZADA-OAHLLOKOSA-N 2 1 332.448 1.145 20 0 EDADMP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000415181117 304172003 /nfs/dbraw/zinc/17/20/03/304172003.db2.gz AHOACESKBWSSPH-MRXNPFEDSA-N 2 1 330.432 1.217 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000111231149 220117461 /nfs/dbraw/zinc/11/74/61/220117461.db2.gz NRSYJHPPVFQMRE-OALUTQOASA-N 2 1 347.503 1.528 20 0 EDADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000111231149 220117457 /nfs/dbraw/zinc/11/74/57/220117457.db2.gz NRSYJHPPVFQMRE-OALUTQOASA-N 2 1 347.503 1.528 20 0 EDADMP [NH3+]C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000237891448 139063039 /nfs/dbraw/zinc/06/30/39/139063039.db2.gz MWROMGHUQIXQBU-OALUTQOASA-N 2 1 345.487 1.911 20 0 EDADMP [NH3+]C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000237891448 139063040 /nfs/dbraw/zinc/06/30/40/139063040.db2.gz MWROMGHUQIXQBU-OALUTQOASA-N 2 1 345.487 1.911 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000245392453 139071527 /nfs/dbraw/zinc/07/15/27/139071527.db2.gz AXOFLUZAQVIKLR-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C[C@@H](C)C1 ZINC000415246698 304178279 /nfs/dbraw/zinc/17/82/79/304178279.db2.gz XQJKISCFVOMGSK-JJRVBVJISA-N 2 1 344.459 1.273 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245417065 139073491 /nfs/dbraw/zinc/07/34/91/139073491.db2.gz FRZKJZASWULDFR-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000245708172 139083937 /nfs/dbraw/zinc/08/39/37/139083937.db2.gz SGHTUAKVDJJEKT-SJLPKXTDSA-N 3 1 347.507 1.755 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000245708172 139083938 /nfs/dbraw/zinc/08/39/38/139083938.db2.gz SGHTUAKVDJJEKT-SJLPKXTDSA-N 3 1 347.507 1.755 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C)cc3)C2)CC1 ZINC000245933997 139090430 /nfs/dbraw/zinc/09/04/30/139090430.db2.gz RPLAOGDFIFXIPU-RBUKOAKNSA-N 2 1 347.503 1.447 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+]C3)c2)CCO1 ZINC000246279009 139102117 /nfs/dbraw/zinc/10/21/17/139102117.db2.gz MJTZILVADXOBJK-YJBOKZPZSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+]C3)c2)CCO1 ZINC000246279009 139102118 /nfs/dbraw/zinc/10/21/18/139102118.db2.gz MJTZILVADXOBJK-YJBOKZPZSA-N 2 1 331.460 1.523 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H](N[C@H]3CC[N@@H+](C)[C@H](C)C3)C2=O)c1 ZINC000246338020 139104738 /nfs/dbraw/zinc/10/47/38/139104738.db2.gz GQBQTXXEGPXMKH-GLJUWKHASA-N 2 1 347.459 1.881 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246882347 139125285 /nfs/dbraw/zinc/12/52/85/139125285.db2.gz DESQHKBDKAMGBJ-LSDHHAIUSA-N 2 1 325.478 1.346 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246882347 139125286 /nfs/dbraw/zinc/12/52/86/139125286.db2.gz DESQHKBDKAMGBJ-LSDHHAIUSA-N 2 1 325.478 1.346 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000248202177 139159505 /nfs/dbraw/zinc/15/95/05/139159505.db2.gz ZAWURFRUAWIHJV-RHSMWYFYSA-N 2 1 327.428 1.699 20 0 EDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000248202177 139159506 /nfs/dbraw/zinc/15/95/06/139159506.db2.gz ZAWURFRUAWIHJV-RHSMWYFYSA-N 2 1 327.428 1.699 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000248202177 139159507 /nfs/dbraw/zinc/15/95/07/139159507.db2.gz ZAWURFRUAWIHJV-RHSMWYFYSA-N 2 1 327.428 1.699 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000248202177 139159508 /nfs/dbraw/zinc/15/95/08/139159508.db2.gz ZAWURFRUAWIHJV-RHSMWYFYSA-N 2 1 327.428 1.699 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000248202177 139159509 /nfs/dbraw/zinc/15/95/09/139159509.db2.gz ZAWURFRUAWIHJV-RHSMWYFYSA-N 2 1 327.428 1.699 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c2ccccc2)CC1 ZINC000248641789 139169542 /nfs/dbraw/zinc/16/95/42/139169542.db2.gz RKXOAMSFCQKLQB-VJANTYMQSA-N 2 1 342.487 1.171 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1(C)C ZINC000249073326 139184550 /nfs/dbraw/zinc/18/45/50/139184550.db2.gz MDXAETDLYGOOCG-RKVPGOIHSA-N 2 1 325.497 1.756 20 0 EDADMP CC(C)C[C@H](CO)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249458088 139193570 /nfs/dbraw/zinc/19/35/70/139193570.db2.gz PZGSAYLEDYQPOS-QZTJIDSGSA-N 2 1 335.492 1.744 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCc2cccnc2)[C@@H](C)C1 ZINC000249411543 139192894 /nfs/dbraw/zinc/19/28/94/139192894.db2.gz FHJHBLPNAKNIIG-FUHWJXTLSA-N 2 1 348.491 1.424 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCc2cccnc2)[C@@H](C)C1 ZINC000249411543 139192895 /nfs/dbraw/zinc/19/28/95/139192895.db2.gz FHJHBLPNAKNIIG-FUHWJXTLSA-N 2 1 348.491 1.424 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000261758773 139223616 /nfs/dbraw/zinc/22/36/16/139223616.db2.gz VPMGVOSQWSFSJP-LXZKKBNFSA-N 2 1 326.444 1.733 20 0 EDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000261745302 139222586 /nfs/dbraw/zinc/22/25/86/139222586.db2.gz PRJXDFWCVVMDAP-IBGZPJMESA-N 2 1 331.460 1.762 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CC[C@@H]3CC[NH2+]C3)c2)CCO1 ZINC000261793517 139226595 /nfs/dbraw/zinc/22/65/95/139226595.db2.gz KMPSDRKBECSRAI-DLBZAZTESA-N 2 1 345.487 1.913 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CC[C@@H]3CC[NH2+]C3)c2)CCO1 ZINC000261793517 139226596 /nfs/dbraw/zinc/22/65/96/139226596.db2.gz KMPSDRKBECSRAI-DLBZAZTESA-N 2 1 345.487 1.913 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000261793190 139226598 /nfs/dbraw/zinc/22/65/98/139226598.db2.gz ZDNSYDRCQGCAIM-CQSZACIVSA-N 2 1 341.402 1.776 20 0 EDADMP C[C@@]1(C[NH3+])CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000261804510 139227440 /nfs/dbraw/zinc/22/74/40/139227440.db2.gz HFBJPUAGCNAOPB-MJGOQNOKSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@@]1(C[NH3+])CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000261804510 139227441 /nfs/dbraw/zinc/22/74/41/139227441.db2.gz HFBJPUAGCNAOPB-MJGOQNOKSA-N 2 1 331.460 1.475 20 0 EDADMP CN(C)c1ccccc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261892423 139234502 /nfs/dbraw/zinc/23/45/02/139234502.db2.gz QRUFIYJKLZFCMK-AEFFLSMTSA-N 2 1 344.503 1.833 20 0 EDADMP O=C(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)NCc1ccccc1 ZINC000261865511 139232498 /nfs/dbraw/zinc/23/24/98/139232498.db2.gz CNSWIXFSVRYRJK-KSZLIROESA-N 2 1 331.460 1.440 20 0 EDADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261941127 139238818 /nfs/dbraw/zinc/23/88/18/139238818.db2.gz MXIZMADAMMPCDB-KSZLIROESA-N 2 1 331.460 1.335 20 0 EDADMP Cc1ncsc1CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261965787 139240558 /nfs/dbraw/zinc/24/05/58/139240558.db2.gz YILNQKRRCDACQB-LSDHHAIUSA-N 2 1 336.505 1.574 20 0 EDADMP O=C(CC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)N1CC[NH2+]CC1 ZINC000262009794 139243599 /nfs/dbraw/zinc/24/35/99/139243599.db2.gz FJDZZFHWTVBZEY-SFHVURJKSA-N 2 1 349.450 1.629 20 0 EDADMP C[C@@H](CCNC(=O)[C@H]([NH3+])C1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000262017118 139244083 /nfs/dbraw/zinc/24/40/83/139244083.db2.gz ONKQQBUGEQFMMZ-MAUKXSAKSA-N 2 1 333.476 1.767 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000262070103 139248330 /nfs/dbraw/zinc/24/83/30/139248330.db2.gz SACIQKAQZFRGSR-CQSZACIVSA-N 2 1 347.488 1.753 20 0 EDADMP Cc1ccc(C)c([C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)[C@H](C)CO2)c1 ZINC000262056263 139247124 /nfs/dbraw/zinc/24/71/24/139247124.db2.gz ITHBLZSUQINWTN-IEBWSBKVSA-N 2 1 345.487 1.887 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000262075159 139248840 /nfs/dbraw/zinc/24/88/40/139248840.db2.gz SKVMXBRSYTUOBK-MRXNPFEDSA-N 2 1 333.432 1.293 20 0 EDADMP CCOc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)ccc1OCC(F)(F)F ZINC000262141944 139254630 /nfs/dbraw/zinc/25/46/30/139254630.db2.gz PUFUSXGLHGWJIN-QWHCGFSZSA-N 2 1 348.365 1.696 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262152233 139255593 /nfs/dbraw/zinc/25/55/93/139255593.db2.gz HUWHEFRATKHCJG-MRXNPFEDSA-N 2 1 333.480 1.343 20 0 EDADMP O=C(CC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000262230713 139261932 /nfs/dbraw/zinc/26/19/32/139261932.db2.gz VJLQYRDAWOOGGO-INIZCTEOSA-N 2 1 344.459 1.159 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000415977363 251041658 /nfs/dbraw/zinc/04/16/58/251041658.db2.gz XPWOTSSOOBSYOP-UHFFFAOYSA-N 2 1 334.464 1.981 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416873024 251113715 /nfs/dbraw/zinc/11/37/15/251113715.db2.gz MXSBDUDPFGDVAM-IBGZPJMESA-N 2 1 330.476 1.904 20 0 EDADMP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416873155 251114606 /nfs/dbraw/zinc/11/46/06/251114606.db2.gz CSFQOTFKXNPCRN-RHSMWYFYSA-N 2 1 332.448 1.150 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NCCC[NH2+]C)cc2)CC1 ZINC000416996729 251123060 /nfs/dbraw/zinc/12/30/60/251123060.db2.gz VASKCOHYRZOBDM-UHFFFAOYSA-N 2 1 347.507 1.233 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417098416 251143013 /nfs/dbraw/zinc/14/30/13/251143013.db2.gz BQTROVUZVMMKGZ-HRCADAONSA-N 2 1 348.491 1.690 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417098416 251143016 /nfs/dbraw/zinc/14/30/16/251143016.db2.gz BQTROVUZVMMKGZ-HRCADAONSA-N 2 1 348.491 1.690 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000417172405 251144470 /nfs/dbraw/zinc/14/44/70/251144470.db2.gz HQTGBZZVCQQNNQ-QGZVFWFLSA-N 2 1 327.432 1.768 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000417255887 251150260 /nfs/dbraw/zinc/15/02/60/251150260.db2.gz FQLNZEAUSQMQNA-UHFFFAOYSA-N 2 1 348.516 1.891 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000417255887 251150264 /nfs/dbraw/zinc/15/02/64/251150264.db2.gz FQLNZEAUSQMQNA-UHFFFAOYSA-N 2 1 348.516 1.891 20 0 EDADMP COC[C@]1(CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417321957 251159990 /nfs/dbraw/zinc/15/99/90/251159990.db2.gz DRPPQGBUQRJXFC-HLLBOEOZSA-N 2 1 326.485 1.175 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000417557622 251186884 /nfs/dbraw/zinc/18/68/84/251186884.db2.gz RYSGJKJOYVMAEP-ZACQAIPSSA-N 2 1 340.512 1.789 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417556627 251187243 /nfs/dbraw/zinc/18/72/43/251187243.db2.gz PAPQWJLCNSKUNP-UONOGXRCSA-N 2 1 332.439 1.937 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417579771 251196647 /nfs/dbraw/zinc/19/66/47/251196647.db2.gz BHHFIWWMRAGIHQ-QGZVFWFLSA-N 2 1 333.480 1.735 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417657491 251215746 /nfs/dbraw/zinc/21/57/46/251215746.db2.gz WDUNDOZOFYXGPH-KSZLIROESA-N 2 1 328.460 1.512 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417721388 251242408 /nfs/dbraw/zinc/24/24/08/251242408.db2.gz ACRBFNUDNXSURB-SJORKVTESA-N 2 1 347.507 1.624 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)[nH+]c1 ZINC000417732834 251247063 /nfs/dbraw/zinc/24/70/63/251247063.db2.gz PLAXTQQBCBOLOH-GDBMZVCRSA-N 2 1 331.464 1.799 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)cc1 ZINC000417818544 251282738 /nfs/dbraw/zinc/28/27/38/251282738.db2.gz FQZRVCFYLCNVPB-SJORKVTESA-N 2 1 334.439 1.793 20 0 EDADMP [NH3+]C[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000418078527 251320825 /nfs/dbraw/zinc/32/08/25/251320825.db2.gz WJEBDBMTCXXUNV-ROUUACIJSA-N 2 1 346.475 1.314 20 0 EDADMP O=C(NCCC[NH2+]Cc1cccnc1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000418120146 251332517 /nfs/dbraw/zinc/33/25/17/251332517.db2.gz VGGBJRUMVYTDPH-GOSISDBHSA-N 2 1 345.491 1.877 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000418707372 251389521 /nfs/dbraw/zinc/38/95/21/251389521.db2.gz TUKFPHHINWNQRY-HOTGVXAUSA-N 2 1 349.479 1.051 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000262562663 139286951 /nfs/dbraw/zinc/28/69/51/139286951.db2.gz AKWZPVIUPKQCTQ-MRXNPFEDSA-N 2 1 330.476 1.163 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262658792 139293929 /nfs/dbraw/zinc/29/39/29/139293929.db2.gz WGSNITDMPGQGLO-AKHDSKFASA-N 2 1 345.487 1.910 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262658792 139293930 /nfs/dbraw/zinc/29/39/30/139293930.db2.gz WGSNITDMPGQGLO-AKHDSKFASA-N 2 1 345.487 1.910 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000262811450 139305309 /nfs/dbraw/zinc/30/53/09/139305309.db2.gz FYJCZXCDJDEEDJ-AWEZNQCLSA-N 2 1 341.402 1.409 20 0 EDADMP O=C(NCCC[NH2+][C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000422862281 252004187 /nfs/dbraw/zinc/00/41/87/252004187.db2.gz PPVNYBYLCGUUHO-CYBMUJFWSA-N 2 1 326.238 1.521 20 0 EDADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[NH3+])CC1 ZINC000423179087 252044398 /nfs/dbraw/zinc/04/43/98/252044398.db2.gz GWSCMDPITHXHJG-UHFFFAOYSA-N 2 1 340.265 1.910 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000423784325 252071936 /nfs/dbraw/zinc/07/19/36/252071936.db2.gz RADXVJTVHFSBGQ-OLMNPRSZSA-N 2 1 341.459 1.317 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000423784325 252071939 /nfs/dbraw/zinc/07/19/39/252071939.db2.gz RADXVJTVHFSBGQ-OLMNPRSZSA-N 2 1 341.459 1.317 20 0 EDADMP C[N@@H+](CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000423354350 252050483 /nfs/dbraw/zinc/05/04/83/252050483.db2.gz NIESUNFMISIBAQ-MRXNPFEDSA-N 2 1 341.459 1.739 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000423858060 252093439 /nfs/dbraw/zinc/09/34/39/252093439.db2.gz YTUIPHWZKSDKBH-YTQUADARSA-N 2 1 345.487 1.782 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424170368 252152315 /nfs/dbraw/zinc/15/23/15/252152315.db2.gz LAPGWFXZAFLYNG-AWEZNQCLSA-N 2 1 330.436 1.544 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC[N@H+]1C[C@H](C)O ZINC000424440451 252231353 /nfs/dbraw/zinc/23/13/53/252231353.db2.gz UNWRFFNQMRZZBZ-YOEHRIQHSA-N 2 1 334.464 1.763 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000111865057 285032886 /nfs/dbraw/zinc/03/28/86/285032886.db2.gz MWHSLCDPBSDQIM-INIZCTEOSA-N 2 1 326.485 1.269 20 0 EDADMP CC(C)[C@H](C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000569814192 306521559 /nfs/dbraw/zinc/52/15/59/306521559.db2.gz TXVPXYWMCPWCHP-AEFFLSMTSA-N 2 1 332.492 1.544 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000112466075 220332626 /nfs/dbraw/zinc/33/26/26/220332626.db2.gz TXKGIOQNULRVGG-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP CS(=O)(=O)NCC[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471836611 255016044 /nfs/dbraw/zinc/01/60/44/255016044.db2.gz JEUGOODMNNBGFK-IRXDYDNUSA-N 2 1 339.505 1.208 20 0 EDADMP CS(=O)(=O)NCC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471836611 255016045 /nfs/dbraw/zinc/01/60/45/255016045.db2.gz JEUGOODMNNBGFK-IRXDYDNUSA-N 2 1 339.505 1.208 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)Cc1ccccc1 ZINC000487524650 255031871 /nfs/dbraw/zinc/03/18/71/255031871.db2.gz XXAIFOJDMSHPSE-AZUAARDMSA-N 2 1 344.503 1.897 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1cnn(C)c1C ZINC000492301720 255168829 /nfs/dbraw/zinc/16/88/29/255168829.db2.gz OFEQBKSZYCHMNP-HJCTWCACSA-N 2 1 347.507 1.616 20 0 EDADMP CC[C@]1(O)CC[N@@H+](CC(=O)N2CCN(Cc3cccc(C)c3)CC2)C1 ZINC000495211623 255273319 /nfs/dbraw/zinc/27/33/19/255273319.db2.gz NTQWSHKTHDBYRP-FQEVSTJZSA-N 2 1 345.487 1.486 20 0 EDADMP CC[C@]1(O)CC[N@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000495262344 255276101 /nfs/dbraw/zinc/27/61/01/255276101.db2.gz PIPCAXRDHJZMSU-XLIONFOSSA-N 2 1 345.487 1.739 20 0 EDADMP CC[C@]1(O)CC[N@@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000495262344 255276102 /nfs/dbraw/zinc/27/61/02/255276102.db2.gz PIPCAXRDHJZMSU-XLIONFOSSA-N 2 1 345.487 1.739 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cncc(F)c2)c1 ZINC000494606337 255255588 /nfs/dbraw/zinc/25/55/88/255255588.db2.gz XXFQFAXDJYJXMH-UHFFFAOYSA-N 2 1 330.407 1.802 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000118127254 221126944 /nfs/dbraw/zinc/12/69/44/221126944.db2.gz LYFFAVHUXPGQBE-QGZVFWFLSA-N 2 1 344.459 1.561 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000118127254 221126947 /nfs/dbraw/zinc/12/69/47/221126947.db2.gz LYFFAVHUXPGQBE-QGZVFWFLSA-N 2 1 344.459 1.561 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000118127254 221126948 /nfs/dbraw/zinc/12/69/48/221126948.db2.gz LYFFAVHUXPGQBE-QGZVFWFLSA-N 2 1 344.459 1.561 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000118127254 221126950 /nfs/dbraw/zinc/12/69/50/221126950.db2.gz LYFFAVHUXPGQBE-QGZVFWFLSA-N 2 1 344.459 1.561 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)[C@H](C)C1 ZINC000119113362 221247744 /nfs/dbraw/zinc/24/77/44/221247744.db2.gz BBCFCTSPVGGMAB-LMMKCTJWSA-N 2 1 345.487 1.986 20 0 EDADMP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264219714 139387866 /nfs/dbraw/zinc/38/78/66/139387866.db2.gz JLFCOIYOWRASMW-LPHOPBHVSA-N 2 1 345.487 1.595 20 0 EDADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264219714 139387867 /nfs/dbraw/zinc/38/78/67/139387867.db2.gz JLFCOIYOWRASMW-LPHOPBHVSA-N 2 1 345.487 1.595 20 0 EDADMP Cc1cccc(NC(=O)C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000264277173 139392730 /nfs/dbraw/zinc/39/27/30/139392730.db2.gz DUOPLDMGFKMABY-INIZCTEOSA-N 2 1 333.476 1.958 20 0 EDADMP C[N@H+]1CC[C@H]2OCCN(C(=O)CC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416240476 304299864 /nfs/dbraw/zinc/29/98/64/304299864.db2.gz JRPZUJJBTCLESA-RBUKOAKNSA-N 2 1 343.471 1.366 20 0 EDADMP C[NH+]1CC[C@H]2OCCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416240476 304299865 /nfs/dbraw/zinc/29/98/65/304299865.db2.gz JRPZUJJBTCLESA-RBUKOAKNSA-N 2 1 343.471 1.366 20 0 EDADMP C[NH+]1CC[C@H]2OCCN(C(=O)CC[N@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416240476 304299866 /nfs/dbraw/zinc/29/98/66/304299866.db2.gz JRPZUJJBTCLESA-RBUKOAKNSA-N 2 1 343.471 1.366 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000271181211 140252444 /nfs/dbraw/zinc/25/24/44/140252444.db2.gz YSPKGYZJBKCEOQ-QGZVFWFLSA-N 2 1 333.476 1.593 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4c(c3)ncn4C)C2)CC1 ZINC000271751047 140344213 /nfs/dbraw/zinc/34/42/13/140344213.db2.gz VIIXNCDSGKGYTJ-KRWDZBQOSA-N 2 1 327.476 1.785 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000272083125 140397725 /nfs/dbraw/zinc/39/77/25/140397725.db2.gz LXIYFOYCMDHDJV-GOSISDBHSA-N 2 1 328.460 1.822 20 0 EDADMP C[NH+]1CC=C(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272083125 140397727 /nfs/dbraw/zinc/39/77/27/140397727.db2.gz LXIYFOYCMDHDJV-GOSISDBHSA-N 2 1 328.460 1.822 20 0 EDADMP C[NH+]1CC=C(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272083125 140397728 /nfs/dbraw/zinc/39/77/28/140397728.db2.gz LXIYFOYCMDHDJV-GOSISDBHSA-N 2 1 328.460 1.822 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc(N2CCCC2)[nH+]1 ZINC000332173080 141134800 /nfs/dbraw/zinc/13/48/00/141134800.db2.gz QPUMAEOOGUIFIP-CJNGLKHVSA-N 2 1 331.464 1.869 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)n1C ZINC000333302428 141295787 /nfs/dbraw/zinc/29/57/87/141295787.db2.gz JAIIIKQPGOUWNN-HNNXBMFYSA-N 2 1 348.495 1.406 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000333305010 141295867 /nfs/dbraw/zinc/29/58/67/141295867.db2.gz MZVQRYDDOGSHFL-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000333305010 141295868 /nfs/dbraw/zinc/29/58/68/141295868.db2.gz MZVQRYDDOGSHFL-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000333305010 141295870 /nfs/dbraw/zinc/29/58/70/141295870.db2.gz MZVQRYDDOGSHFL-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[NH+]1CCOCC1 ZINC000340144550 142281339 /nfs/dbraw/zinc/28/13/39/142281339.db2.gz ZPAYGTFVIINNDU-FGTMMUONSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)cn2cc[nH+]c12 ZINC000340300965 142335115 /nfs/dbraw/zinc/33/51/15/142335115.db2.gz LTYJFCBXHIVEBJ-UHFFFAOYSA-N 2 1 329.404 1.135 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000340353931 142356448 /nfs/dbraw/zinc/35/64/48/142356448.db2.gz YPEBNCSMYFIQAZ-HOTGVXAUSA-N 2 1 340.512 1.214 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000345143768 143057022 /nfs/dbraw/zinc/05/70/22/143057022.db2.gz ROLKMADSMLCQTP-KRWDZBQOSA-N 2 1 341.544 1.243 20 0 EDADMP CO[C@H]1C[C@H](C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)N(C)C1 ZINC000345148592 143057554 /nfs/dbraw/zinc/05/75/54/143057554.db2.gz MPCVOJROBCBANU-MSOLQXFVSA-N 2 1 326.529 1.053 20 0 EDADMP CO[C@H]1C[C@H](CN(C)CCCN2CC[NH+](C(C)C)CC2)[N@H+](C)C1 ZINC000345148592 143057555 /nfs/dbraw/zinc/05/75/55/143057555.db2.gz MPCVOJROBCBANU-MSOLQXFVSA-N 2 1 326.529 1.053 20 0 EDADMP CO[C@H]1C[C@H](CN(C)CCCN2CC[NH+](C(C)C)CC2)[N@@H+](C)C1 ZINC000345148592 143057556 /nfs/dbraw/zinc/05/75/56/143057556.db2.gz MPCVOJROBCBANU-MSOLQXFVSA-N 2 1 326.529 1.053 20 0 EDADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCC(=O)CC1 ZINC000345692134 143122234 /nfs/dbraw/zinc/12/22/34/143122234.db2.gz CRMUSNDVPIOTMC-UHFFFAOYSA-N 2 1 344.459 1.469 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)[NH+](C)C1 ZINC000346227116 143180995 /nfs/dbraw/zinc/18/09/95/143180995.db2.gz BLWOFHDIKYKTMO-MWDXBVQZSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)[N@H+](C)C1 ZINC000346227116 143180996 /nfs/dbraw/zinc/18/09/96/143180996.db2.gz BLWOFHDIKYKTMO-MWDXBVQZSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)[N@@H+](C)C1 ZINC000346227116 143180997 /nfs/dbraw/zinc/18/09/97/143180997.db2.gz BLWOFHDIKYKTMO-MWDXBVQZSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000346237158 143182015 /nfs/dbraw/zinc/18/20/15/143182015.db2.gz YYOODJNUMQOPLA-OAGGEKHMSA-N 2 1 333.476 1.976 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000346237158 143182016 /nfs/dbraw/zinc/18/20/16/143182016.db2.gz YYOODJNUMQOPLA-OAGGEKHMSA-N 2 1 333.476 1.976 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[NH+](C)C)cc1 ZINC000346282796 143186637 /nfs/dbraw/zinc/18/66/37/143186637.db2.gz NAZXHBFKHRGXDP-MSOLQXFVSA-N 2 1 333.476 1.823 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000346395201 143200310 /nfs/dbraw/zinc/20/03/10/143200310.db2.gz RGFQVNVQZNDKSL-IKGGRYGDSA-N 2 1 340.512 1.467 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC000346395201 143200311 /nfs/dbraw/zinc/20/03/11/143200311.db2.gz RGFQVNVQZNDKSL-IKGGRYGDSA-N 2 1 340.512 1.467 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC000346395201 143200312 /nfs/dbraw/zinc/20/03/12/143200312.db2.gz RGFQVNVQZNDKSL-IKGGRYGDSA-N 2 1 340.512 1.467 20 0 EDADMP COc1ccsc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346645538 143225839 /nfs/dbraw/zinc/22/58/39/143225839.db2.gz DTURTFVXGUXEMQ-ZIAGYGMSSA-N 2 1 337.489 1.837 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1)[C@H]1CCC[NH2+]1 ZINC000346682757 143231344 /nfs/dbraw/zinc/23/13/44/143231344.db2.gz PNQHVGDLEJIOCT-WMLDXEAASA-N 2 1 341.459 1.643 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000346742855 143240524 /nfs/dbraw/zinc/24/05/24/143240524.db2.gz VJMBMMYOUZQRNP-PBHICJAKSA-N 2 1 330.436 1.267 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CCOC)CC[NH+](C)C ZINC000347478819 143326737 /nfs/dbraw/zinc/32/67/37/143326737.db2.gz GJSLKOHWDHDPPN-INIZCTEOSA-N 2 1 328.501 1.471 20 0 EDADMP CCn1cc(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1 ZINC000572980604 306606816 /nfs/dbraw/zinc/60/68/16/306606816.db2.gz XMGCJPDEBUALSD-UHFFFAOYSA-N 2 1 328.420 1.231 20 0 EDADMP O=C(NCC1CC[NH+](C2CC2)CC1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369721619 155149316 /nfs/dbraw/zinc/14/93/16/155149316.db2.gz FZQKLDPBLDOUBA-UHOSZYNNSA-N 2 1 346.519 1.987 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH2+]C(C)(C)C2)[C@H](C)C1 ZINC000417670593 286060564 /nfs/dbraw/zinc/06/05/64/286060564.db2.gz OJUKUQJRKAZFGC-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000352711356 149125117 /nfs/dbraw/zinc/12/51/17/149125117.db2.gz BFRIWBGMBBSEKO-OAHLLOKOSA-N 2 1 326.510 1.305 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCCc2[nH+]ccn21 ZINC000353078500 149277489 /nfs/dbraw/zinc/27/74/89/149277489.db2.gz DDQRIGZNWZKCEP-KRWDZBQOSA-N 2 1 339.443 1.936 20 0 EDADMP C[C@H]1CCC[N@H+](CCNC(=O)C2([NH+]3CCN(C)CC3)CCCC2)C1 ZINC000369942865 155244720 /nfs/dbraw/zinc/24/47/20/155244720.db2.gz HTNABSNUWNMIJB-KRWDZBQOSA-N 2 1 336.524 1.395 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)C2([NH+]3CCN(C)CC3)CCCC2)C1 ZINC000369942865 155244721 /nfs/dbraw/zinc/24/47/21/155244721.db2.gz HTNABSNUWNMIJB-KRWDZBQOSA-N 2 1 336.524 1.395 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(CC[NH3+])CCO ZINC000416972083 304358229 /nfs/dbraw/zinc/35/82/29/304358229.db2.gz HUZONBGTNQIUDB-INIZCTEOSA-N 2 1 348.491 1.524 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000416975753 304359478 /nfs/dbraw/zinc/35/94/78/304359478.db2.gz ZWTDQTKUHWGYGF-GOSISDBHSA-N 2 1 348.491 1.705 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354931764 150039421 /nfs/dbraw/zinc/03/94/21/150039421.db2.gz RXIFIWIMDSMZDF-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354931764 150039422 /nfs/dbraw/zinc/03/94/22/150039422.db2.gz RXIFIWIMDSMZDF-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000354931764 150039423 /nfs/dbraw/zinc/03/94/23/150039423.db2.gz RXIFIWIMDSMZDF-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000354931764 150039424 /nfs/dbraw/zinc/03/94/24/150039424.db2.gz RXIFIWIMDSMZDF-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000355382470 150244969 /nfs/dbraw/zinc/24/49/69/150244969.db2.gz XFKSSUMYGYFJEJ-QZTJIDSGSA-N 2 1 331.460 1.683 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000417030865 304362550 /nfs/dbraw/zinc/36/25/50/304362550.db2.gz WYAUCDIHDGPSHV-DLBZAZTESA-N 2 1 347.507 1.229 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355591133 150328557 /nfs/dbraw/zinc/32/85/57/150328557.db2.gz WQMISKJADAQAFN-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355591133 150328560 /nfs/dbraw/zinc/32/85/60/150328560.db2.gz WQMISKJADAQAFN-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@@H](CNC(=O)NCC(C)(C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000417034209 304363633 /nfs/dbraw/zinc/36/36/33/304363633.db2.gz DWZJUEFAMKFHSY-HNNXBMFYSA-N 2 1 333.480 1.234 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000417038702 304364546 /nfs/dbraw/zinc/36/45/46/304364546.db2.gz JNWCYPSYXINYIM-SJORKVTESA-N 2 1 345.491 1.200 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCCNc2cc[nH+]cc2)C[C@@H](C)O1 ZINC000356277813 150579805 /nfs/dbraw/zinc/57/98/05/150579805.db2.gz INDQYVRTTOOALS-HUUCEWRRSA-N 2 1 349.479 1.102 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417046046 304366354 /nfs/dbraw/zinc/36/63/54/304366354.db2.gz ZDTQVXCWHVQHSH-CRAIPNDOSA-N 2 1 330.476 1.732 20 0 EDADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000357340211 151001464 /nfs/dbraw/zinc/00/14/64/151001464.db2.gz ABQZANBWJRTFOF-IRXDYDNUSA-N 2 1 333.480 1.522 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000357451446 151036330 /nfs/dbraw/zinc/03/63/30/151036330.db2.gz ATQMUBOJLILJQR-QRVBRYPASA-N 2 1 343.471 1.298 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000357451446 151036331 /nfs/dbraw/zinc/03/63/31/151036331.db2.gz ATQMUBOJLILJQR-QRVBRYPASA-N 2 1 343.471 1.298 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000417118184 304374161 /nfs/dbraw/zinc/37/41/61/304374161.db2.gz RJCAMKSSBDTVCB-KRWDZBQOSA-N 2 1 334.464 1.186 20 0 EDADMP C[N@H+](CCNc1nc2ccccc2nc1N1CC[NH+](C)CC1)C1CC1 ZINC000359483824 151731065 /nfs/dbraw/zinc/73/10/65/151731065.db2.gz AHTTWYBSAXOTNF-UHFFFAOYSA-N 2 1 340.475 1.888 20 0 EDADMP C[N@@H+](CCNc1nc2ccccc2nc1N1CC[NH+](C)CC1)C1CC1 ZINC000359483824 151731066 /nfs/dbraw/zinc/73/10/66/151731066.db2.gz AHTTWYBSAXOTNF-UHFFFAOYSA-N 2 1 340.475 1.888 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000417120465 304374720 /nfs/dbraw/zinc/37/47/20/304374720.db2.gz VHUFEPALTWRUBW-KGLIPLIRSA-N 2 1 336.505 1.746 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000417120465 304374722 /nfs/dbraw/zinc/37/47/22/304374722.db2.gz VHUFEPALTWRUBW-KGLIPLIRSA-N 2 1 336.505 1.746 20 0 EDADMP COc1ccc(CNC(=[NH2+])NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1OC ZINC000360572042 152102472 /nfs/dbraw/zinc/10/24/72/152102472.db2.gz ISKJODPDTKJXRN-LSDHHAIUSA-N 2 1 348.447 1.181 20 0 EDADMP O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000417138637 304376798 /nfs/dbraw/zinc/37/67/98/304376798.db2.gz OSTDVNPEGAQWMW-IAGOWNOFSA-N 2 1 331.464 1.487 20 0 EDADMP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000360897793 152245898 /nfs/dbraw/zinc/24/58/98/152245898.db2.gz OUGOEMFHRYZGHT-VQIMIIECSA-N 2 1 344.503 1.785 20 0 EDADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(OC)c1 ZINC000361184513 152328426 /nfs/dbraw/zinc/32/84/26/152328426.db2.gz RNFPJXOOVRIJRO-LSDHHAIUSA-N 2 1 349.475 1.942 20 0 EDADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(OC)c1 ZINC000361184513 152328428 /nfs/dbraw/zinc/32/84/28/152328428.db2.gz RNFPJXOOVRIJRO-LSDHHAIUSA-N 2 1 349.475 1.942 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCN2CCCOCC2)[C@@H](C)C1 ZINC000361337853 152365283 /nfs/dbraw/zinc/36/52/83/152365283.db2.gz YXJANIBNSBCOHO-ZWKOTPCHSA-N 2 1 327.513 1.435 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000363863379 153078956 /nfs/dbraw/zinc/07/89/56/153078956.db2.gz UGJLQEIYZAFAKI-HNAYVOBHSA-N 2 1 342.487 1.893 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000364061492 153135610 /nfs/dbraw/zinc/13/56/10/153135610.db2.gz PIBZSKQLPAZVOY-INIZCTEOSA-N 2 1 331.460 1.937 20 0 EDADMP Cn1cc([C@H]2[C@@H](CNC(=[NH2+])Nc3ccccn3)CCC[N@H+]2C)cn1 ZINC000364249483 153185961 /nfs/dbraw/zinc/18/59/61/153185961.db2.gz GBYDCIRAWOJQIO-CZUORRHYSA-N 2 1 327.436 1.834 20 0 EDADMP CS(=O)(=O)N1CC[C@@H](C[N@H+]2CC[C@@H](CNc3ccccn3)C2)C1 ZINC000367274395 154062998 /nfs/dbraw/zinc/06/29/98/154062998.db2.gz MCDVLGQVKPEFOB-GJZGRUSLSA-N 2 1 338.477 1.097 20 0 EDADMP Cc1cccc(NC2CCN(C(=O)C(C)(C)N3CCOCC3)CC2)[nH+]1 ZINC000367298062 154069692 /nfs/dbraw/zinc/06/96/92/154069692.db2.gz HNRPFNRMIRSXNV-UHFFFAOYSA-N 2 1 346.475 1.904 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)CC[N@@H+]1C ZINC000367768342 154261557 /nfs/dbraw/zinc/26/15/57/154261557.db2.gz JBZXWQAZLZYECP-KBMXLJTQSA-N 2 1 333.480 1.984 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)CC[N@H+]1C ZINC000367768342 154261558 /nfs/dbraw/zinc/26/15/58/154261558.db2.gz JBZXWQAZLZYECP-KBMXLJTQSA-N 2 1 333.480 1.984 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417326564 304392147 /nfs/dbraw/zinc/39/21/47/304392147.db2.gz KIXIOTJAQLDPFC-HZPDHXFCSA-N 2 1 340.512 1.646 20 0 EDADMP C[C@@H](CNC(=O)NCCC[NH2+]C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000417343815 304393089 /nfs/dbraw/zinc/39/30/89/304393089.db2.gz QXTZOJSLAVAXAA-HNNXBMFYSA-N 2 1 330.476 1.875 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000369548067 155082744 /nfs/dbraw/zinc/08/27/44/155082744.db2.gz UQHAYVKOIWBRIY-OFLPRAFFSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000369598776 155103477 /nfs/dbraw/zinc/10/34/77/155103477.db2.gz CXBZEYYFKRJOPY-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000370376802 155463451 /nfs/dbraw/zinc/46/34/51/155463451.db2.gz HCLYOWXHWMHOQO-SJORKVTESA-N 2 1 339.480 1.696 20 0 EDADMP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000370376802 155463455 /nfs/dbraw/zinc/46/34/55/155463455.db2.gz HCLYOWXHWMHOQO-SJORKVTESA-N 2 1 339.480 1.696 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000371569152 156008457 /nfs/dbraw/zinc/00/84/57/156008457.db2.gz DSQWGGDLXMTIGF-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC000371813326 156116572 /nfs/dbraw/zinc/11/65/72/156116572.db2.gz BDLWCXCNVPNVKP-MRXNPFEDSA-N 2 1 331.464 1.520 20 0 EDADMP CN(C)c1ccncc1C(=O)N1CCCN(Cc2nccn2C)CC1 ZINC000371898975 156159743 /nfs/dbraw/zinc/15/97/43/156159743.db2.gz JWDMIAZESUDBOW-UHFFFAOYSA-N 2 1 342.447 1.229 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@](C)(O)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372333706 156339320 /nfs/dbraw/zinc/33/93/20/156339320.db2.gz SAFDERRVNPQRPA-HOJAQTOUSA-N 2 1 331.504 1.852 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000368195578 292348823 /nfs/dbraw/zinc/34/88/23/292348823.db2.gz WOLMKIGOXNZVNI-SFHVURJKSA-N 2 1 338.496 1.225 20 0 EDADMP CC[NH+](CC)CC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373982847 157092945 /nfs/dbraw/zinc/09/29/45/157092945.db2.gz NMNVVVFYVDZHGV-IYBDPMFKSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000374146904 157164763 /nfs/dbraw/zinc/16/47/63/157164763.db2.gz YGBKFTPXFPKFCL-IYBDPMFKSA-N 2 1 337.508 1.676 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(c3c[nH]cn3)CC2)CC1 ZINC000374213480 157196731 /nfs/dbraw/zinc/19/67/31/157196731.db2.gz UQIANKIDVSSHTK-UHFFFAOYSA-N 2 1 333.480 1.578 20 0 EDADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374285813 157226852 /nfs/dbraw/zinc/22/68/52/157226852.db2.gz DLOPGKUYCFXWFK-KGLIPLIRSA-N 2 1 336.480 1.417 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1cncn1C ZINC000378113566 158081351 /nfs/dbraw/zinc/08/13/51/158081351.db2.gz LJPWFNLVWOMHJZ-RHSMWYFYSA-N 2 1 342.447 1.525 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1cncn1C ZINC000378113570 158081854 /nfs/dbraw/zinc/08/18/54/158081854.db2.gz LJPWFNLVWOMHJZ-YOEHRIQHSA-N 2 1 342.447 1.525 20 0 EDADMP Cc1cc(NC(=O)[C@H](C)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)on1 ZINC000378298310 158132168 /nfs/dbraw/zinc/13/21/68/158132168.db2.gz YEHDAYWVCNPMKU-GOEBONIOSA-N 2 1 349.479 1.410 20 0 EDADMP Cc1cc(NC(=O)[C@H](C)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)on1 ZINC000378298310 158132170 /nfs/dbraw/zinc/13/21/70/158132170.db2.gz YEHDAYWVCNPMKU-GOEBONIOSA-N 2 1 349.479 1.410 20 0 EDADMP C[N@@H+](C[C@H](O)CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000352364973 162142203 /nfs/dbraw/zinc/14/22/03/162142203.db2.gz LKFMQXUOHIUDJF-BJLQDIEVSA-N 2 1 329.488 1.505 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000364724051 287013832 /nfs/dbraw/zinc/01/38/32/287013832.db2.gz MTMDBUYVSHCVJQ-PASDCYSWSA-N 2 1 337.508 1.900 20 0 EDADMP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000073477684 287260679 /nfs/dbraw/zinc/26/06/79/287260679.db2.gz RLGXVWBSCCVNOI-SFHVURJKSA-N 2 1 344.503 1.506 20 0 EDADMP CC(C)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)N1CC[NH+](C)CC1 ZINC000073637952 287262048 /nfs/dbraw/zinc/26/20/48/287262048.db2.gz UXUCGIXJNQIQPT-GOSISDBHSA-N 2 1 338.540 1.495 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000074169644 287269058 /nfs/dbraw/zinc/26/90/58/287269058.db2.gz ZCJYHTLEJAYJNG-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000074372407 287270617 /nfs/dbraw/zinc/27/06/17/287270617.db2.gz BNXVILAZOMRZDQ-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)C[NH+]1CCOCC1 ZINC000074372407 287270618 /nfs/dbraw/zinc/27/06/18/287270618.db2.gz BNXVILAZOMRZDQ-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000158830645 225093521 /nfs/dbraw/zinc/09/35/21/225093521.db2.gz XHAHNQZDEOIIFA-IBGZPJMESA-N 2 1 344.503 1.453 20 0 EDADMP C[C@@]1(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000121731528 287374085 /nfs/dbraw/zinc/37/40/85/287374085.db2.gz USUXEAARFFRQHZ-FQEVSTJZSA-N 2 1 344.503 1.453 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000122038281 222000541 /nfs/dbraw/zinc/00/05/41/222000541.db2.gz WRUVQMYTRJURRB-KURKYZTESA-N 2 1 337.508 1.745 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000122352064 222067975 /nfs/dbraw/zinc/06/79/75/222067975.db2.gz URFOMJPEAZAUDV-IEBWSBKVSA-N 2 1 348.491 1.263 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C[NH2+]C3CC3)cc2)C[C@H](C)O1 ZINC000237630531 273011450 /nfs/dbraw/zinc/01/14/50/273011450.db2.gz RPJJAQQQKPIBCQ-GASCZTMLSA-N 2 1 331.460 1.664 20 0 EDADMP COC(=O)CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000274589869 268165326 /nfs/dbraw/zinc/16/53/26/268165326.db2.gz JREBGOVTVKQMBK-QGZVFWFLSA-N 2 1 349.475 1.679 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CCOCC1CC1)c1ccccc1 ZINC000274679301 268182279 /nfs/dbraw/zinc/18/22/79/268182279.db2.gz WKRHWQRKCSMUBN-SFHVURJKSA-N 2 1 333.476 1.764 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000273108440 273028927 /nfs/dbraw/zinc/02/89/27/273028927.db2.gz QUEMWHHFBJANEF-MSOLQXFVSA-N 2 1 347.503 1.982 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000274195370 273076722 /nfs/dbraw/zinc/07/67/22/273076722.db2.gz PIIICVWGHADSAC-CRAIPNDOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000274195370 273076723 /nfs/dbraw/zinc/07/67/23/273076723.db2.gz PIIICVWGHADSAC-CRAIPNDOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NCC[N@@H+](C)C1CC1 ZINC000274195370 273076724 /nfs/dbraw/zinc/07/67/24/273076724.db2.gz PIIICVWGHADSAC-CRAIPNDOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000275628981 273114888 /nfs/dbraw/zinc/11/48/88/273114888.db2.gz KLXWGWWKIFBVTB-JKSUJKDBSA-N 2 1 348.491 1.710 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000279971399 273337909 /nfs/dbraw/zinc/33/79/09/273337909.db2.gz PUMSEIZYNSOJPP-GOSISDBHSA-N 2 1 330.476 1.720 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000283961111 274027416 /nfs/dbraw/zinc/02/74/16/274027416.db2.gz JZJHKMOLUBVXSD-RDJZCZTQSA-N 2 1 348.491 1.252 20 0 EDADMP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000362564587 275011281 /nfs/dbraw/zinc/01/12/81/275011281.db2.gz MFQVMUNDXUKVBE-GJZGRUSLSA-N 2 1 331.464 1.577 20 0 EDADMP CCC[NH2+]CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418078402 276017315 /nfs/dbraw/zinc/01/73/15/276017315.db2.gz VTADDYDMQLJYHJ-GOSISDBHSA-N 2 1 348.491 1.576 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000423857731 276018682 /nfs/dbraw/zinc/01/86/82/276018682.db2.gz YEZLPQDOFMLTTP-SJLPKXTDSA-N 2 1 333.476 1.782 20 0 EDADMP CCC[C@@H](C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)[NH+](C)C ZINC000367285360 276020850 /nfs/dbraw/zinc/02/08/50/276020850.db2.gz JXMCSIRAAJRQCA-SFHVURJKSA-N 2 1 338.540 1.734 20 0 EDADMP CC[N@H+](CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)C1CC1 ZINC000104882923 276129018 /nfs/dbraw/zinc/12/90/18/276129018.db2.gz RTWMRNLBCDMPKH-LJQANCHMSA-N 2 1 345.487 1.785 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)C1CC1 ZINC000104882923 276129019 /nfs/dbraw/zinc/12/90/19/276129019.db2.gz RTWMRNLBCDMPKH-LJQANCHMSA-N 2 1 345.487 1.785 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000372102683 276196935 /nfs/dbraw/zinc/19/69/35/276196935.db2.gz PVPBLPIEOYULNR-IBGZPJMESA-N 2 1 348.466 1.142 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C12CCCC2 ZINC000344177398 276344694 /nfs/dbraw/zinc/34/46/94/276344694.db2.gz UCWYAQZWNHISIG-BRWVUGGUSA-N 2 1 337.508 1.901 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000369203073 276363176 /nfs/dbraw/zinc/36/31/76/276363176.db2.gz FUSHCZDABLGIID-IKGGRYGDSA-N 2 1 338.496 1.101 20 0 EDADMP CC[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)C[NH+](C)C)[C@@H]1c1ccccc1 ZINC000356677006 276392880 /nfs/dbraw/zinc/39/28/80/276392880.db2.gz GXJJSWBNEWORGD-NXHRZFHOSA-N 2 1 348.491 1.698 20 0 EDADMP CC[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)C[NH+](C)C)[C@@H]1c1ccccc1 ZINC000356677006 276392883 /nfs/dbraw/zinc/39/28/83/276392883.db2.gz GXJJSWBNEWORGD-NXHRZFHOSA-N 2 1 348.491 1.698 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000348530313 277089286 /nfs/dbraw/zinc/08/92/86/277089286.db2.gz LNQMNRRANLOXJW-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1C ZINC000346610783 277091135 /nfs/dbraw/zinc/09/11/35/277091135.db2.gz DMJDNXHYKZDMHY-OIISXLGYSA-N 2 1 347.459 1.289 20 0 EDADMP C[N@@H+]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)c2ccccc2C1 ZINC000237080937 277099568 /nfs/dbraw/zinc/09/95/68/277099568.db2.gz BIPWCUJNOGPCCB-UHFFFAOYSA-N 2 1 340.431 1.295 20 0 EDADMP C[N@H+]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)c2ccccc2C1 ZINC000237080937 277099569 /nfs/dbraw/zinc/09/95/69/277099569.db2.gz BIPWCUJNOGPCCB-UHFFFAOYSA-N 2 1 340.431 1.295 20 0 EDADMP COC1(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)CCOCC1 ZINC000377630326 277184298 /nfs/dbraw/zinc/18/42/98/277184298.db2.gz QQFYIGYOHXPMLT-KRWDZBQOSA-N 2 1 325.497 1.284 20 0 EDADMP COC1(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)CCOCC1 ZINC000377630326 277184301 /nfs/dbraw/zinc/18/43/01/277184301.db2.gz QQFYIGYOHXPMLT-KRWDZBQOSA-N 2 1 325.497 1.284 20 0 EDADMP C[C@H](C(=O)N(C)C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358876801 278133247 /nfs/dbraw/zinc/13/32/47/278133247.db2.gz VHGNTWDIUIJXFO-OWCLPIDISA-N 2 1 341.496 1.053 20 0 EDADMP C[C@H](C(=O)N(C)C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358876801 278133249 /nfs/dbraw/zinc/13/32/49/278133249.db2.gz VHGNTWDIUIJXFO-OWCLPIDISA-N 2 1 341.496 1.053 20 0 EDADMP C[C@H]1CC[N@H+](C)CCN1C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000355519544 278365402 /nfs/dbraw/zinc/36/54/02/278365402.db2.gz WYQDLAGXSFZQKC-AWEZNQCLSA-N 2 1 336.505 1.842 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000355519544 278365403 /nfs/dbraw/zinc/36/54/03/278365403.db2.gz WYQDLAGXSFZQKC-AWEZNQCLSA-N 2 1 336.505 1.842 20 0 EDADMP C[C@H]1CC[NH+](C)CCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000355519544 278365404 /nfs/dbraw/zinc/36/54/04/278365404.db2.gz WYQDLAGXSFZQKC-AWEZNQCLSA-N 2 1 336.505 1.842 20 0 EDADMP C[C@H]1CC[NH+](C)CCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000355519544 278365405 /nfs/dbraw/zinc/36/54/05/278365405.db2.gz WYQDLAGXSFZQKC-AWEZNQCLSA-N 2 1 336.505 1.842 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418640639 288073354 /nfs/dbraw/zinc/07/33/54/288073354.db2.gz RBXTZRGGSOKDCK-OLMNPRSZSA-N 2 1 330.476 1.855 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000359556326 279177485 /nfs/dbraw/zinc/17/74/85/279177485.db2.gz VLXRVVIQVAORKA-MRXNPFEDSA-N 2 1 340.512 1.023 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358159031 279367205 /nfs/dbraw/zinc/36/72/05/279367205.db2.gz JISKLERRGCWQJJ-OAGGEKHMSA-N 2 1 342.528 1.902 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358159031 279367206 /nfs/dbraw/zinc/36/72/06/279367206.db2.gz JISKLERRGCWQJJ-OAGGEKHMSA-N 2 1 342.528 1.902 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358159031 279367210 /nfs/dbraw/zinc/36/72/10/279367210.db2.gz JISKLERRGCWQJJ-OAGGEKHMSA-N 2 1 342.528 1.902 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358159031 279367212 /nfs/dbraw/zinc/36/72/12/279367212.db2.gz JISKLERRGCWQJJ-OAGGEKHMSA-N 2 1 342.528 1.902 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000360125649 279376953 /nfs/dbraw/zinc/37/69/53/279376953.db2.gz QBMGPOYGBMPJEH-LSDHHAIUSA-N 2 1 328.501 1.202 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000360125649 279376954 /nfs/dbraw/zinc/37/69/54/279376954.db2.gz QBMGPOYGBMPJEH-LSDHHAIUSA-N 2 1 328.501 1.202 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000360125649 279376955 /nfs/dbraw/zinc/37/69/55/279376955.db2.gz QBMGPOYGBMPJEH-LSDHHAIUSA-N 2 1 328.501 1.202 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000287251722 288192206 /nfs/dbraw/zinc/19/22/06/288192206.db2.gz GJEJOMVAEJLOBE-UHFFFAOYSA-N 2 1 334.464 1.090 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000287251722 288192207 /nfs/dbraw/zinc/19/22/07/288192207.db2.gz GJEJOMVAEJLOBE-UHFFFAOYSA-N 2 1 334.464 1.090 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000287251722 288192209 /nfs/dbraw/zinc/19/22/09/288192209.db2.gz GJEJOMVAEJLOBE-UHFFFAOYSA-N 2 1 334.464 1.090 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360749446 288290262 /nfs/dbraw/zinc/29/02/62/288290262.db2.gz ZIIXMIZFJIHDOQ-INMHGKMJSA-N 2 1 340.537 1.692 20 0 EDADMP CC1(C)C[NH+](CC2(C[N@@H+]3CC[C@@H](O)C(C)(C)C3)COC2)CC[C@H]1O ZINC000333777314 281233217 /nfs/dbraw/zinc/23/32/17/281233217.db2.gz ZRDRPOZWLNMESY-HZPDHXFCSA-N 2 1 340.508 1.189 20 0 EDADMP CC1(C)C[NH+](CC2(C[N@H+]3CC[C@@H](O)C(C)(C)C3)COC2)CC[C@H]1O ZINC000333777314 281233219 /nfs/dbraw/zinc/23/32/19/281233219.db2.gz ZRDRPOZWLNMESY-HZPDHXFCSA-N 2 1 340.508 1.189 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CCOCC1 ZINC000366754554 282037499 /nfs/dbraw/zinc/03/74/99/282037499.db2.gz GGGNYYSZTJNFII-QGZVFWFLSA-N 2 1 346.475 1.583 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CCOCC1 ZINC000366754554 282037500 /nfs/dbraw/zinc/03/75/00/282037500.db2.gz GGGNYYSZTJNFII-QGZVFWFLSA-N 2 1 346.475 1.583 20 0 EDADMP CO[C@H](C[NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000289846959 288790066 /nfs/dbraw/zinc/79/00/66/288790066.db2.gz FPCHGLQDGUVMRI-LSDHHAIUSA-N 2 1 325.840 1.567 20 0 EDADMP CN1CCO[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000291196868 289016392 /nfs/dbraw/zinc/01/63/92/289016392.db2.gz PRIZAWQYBOJRRI-LJQANCHMSA-N 2 1 335.467 1.753 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CCOCC1 ZINC000363322816 289056585 /nfs/dbraw/zinc/05/65/85/289056585.db2.gz MKXGGMOKJUFYJF-QGZVFWFLSA-N 2 1 346.475 1.273 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CCOCC1 ZINC000363322816 289056588 /nfs/dbraw/zinc/05/65/88/289056588.db2.gz MKXGGMOKJUFYJF-QGZVFWFLSA-N 2 1 346.475 1.273 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000356623355 289131388 /nfs/dbraw/zinc/13/13/88/289131388.db2.gz RRBJOPCOGMDXCY-KRWDZBQOSA-N 2 1 326.529 1.593 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000356623355 289131389 /nfs/dbraw/zinc/13/13/89/289131389.db2.gz RRBJOPCOGMDXCY-KRWDZBQOSA-N 2 1 326.529 1.593 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356623355 289131390 /nfs/dbraw/zinc/13/13/90/289131390.db2.gz RRBJOPCOGMDXCY-KRWDZBQOSA-N 2 1 326.529 1.593 20 0 EDADMP CN(CCCN(C)C(=O)CC[C@@H]1CCCC[N@@H+]1C)CC[NH+](C)C ZINC000356623355 289131391 /nfs/dbraw/zinc/13/13/91/289131391.db2.gz RRBJOPCOGMDXCY-KRWDZBQOSA-N 2 1 326.529 1.593 20 0 EDADMP CN(CCCN(C)C(=O)CC[C@@H]1CCCC[N@H+]1C)CC[NH+](C)C ZINC000356623355 289131392 /nfs/dbraw/zinc/13/13/92/289131392.db2.gz RRBJOPCOGMDXCY-KRWDZBQOSA-N 2 1 326.529 1.593 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNCc2cnnn2Cc2ccccc2)CCCO1 ZINC000291698507 289154002 /nfs/dbraw/zinc/15/40/02/289154002.db2.gz JYBBDOBCURCZSP-QGZVFWFLSA-N 2 1 343.475 1.917 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCSC1 ZINC000362759312 289399793 /nfs/dbraw/zinc/39/97/93/289399793.db2.gz ZBNLHMNXQVCXSC-VYDXJSESSA-N 2 1 340.537 1.549 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@]3(C)CCC[NH2+]C3)c2)CCO1 ZINC000237422482 297031729 /nfs/dbraw/zinc/03/17/29/297031729.db2.gz RZFZCQKNPLXXHT-UZLBHIALSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@]3(C)CCC[NH2+]C3)c2)CCO1 ZINC000237422482 297031734 /nfs/dbraw/zinc/03/17/34/297031734.db2.gz RZFZCQKNPLXXHT-UZLBHIALSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)[C@@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000179081469 297030173 /nfs/dbraw/zinc/03/01/73/297030173.db2.gz ZFFSNZCNPSHACU-RVKKMQEKSA-N 2 1 331.460 1.730 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)[C@@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000179081469 297030174 /nfs/dbraw/zinc/03/01/74/297030174.db2.gz ZFFSNZCNPSHACU-RVKKMQEKSA-N 2 1 331.460 1.730 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418721332 295392512 /nfs/dbraw/zinc/39/25/12/295392512.db2.gz WUASBTUJVTUILU-OLZOCXBDSA-N 2 1 342.390 1.334 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000418556008 304512894 /nfs/dbraw/zinc/51/28/94/304512894.db2.gz AIOZVGHEJBPWOU-CZUORRHYSA-N 2 1 338.402 1.367 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[N@H+]1C ZINC000341214342 297271108 /nfs/dbraw/zinc/27/11/08/297271108.db2.gz YSCBBYRKFKZJNY-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000496192620 297283878 /nfs/dbraw/zinc/28/38/78/297283878.db2.gz FURGUEONGDSXMH-IJEWVQPXSA-N 2 1 341.496 1.819 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000496192620 297283879 /nfs/dbraw/zinc/28/38/79/297283879.db2.gz FURGUEONGDSXMH-IJEWVQPXSA-N 2 1 341.496 1.819 20 0 EDADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261686448 298123280 /nfs/dbraw/zinc/12/32/80/298123280.db2.gz ISLYQFGCFHZVBV-XPKDYRNWSA-N 2 1 330.432 1.037 20 0 EDADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261686448 298123282 /nfs/dbraw/zinc/12/32/82/298123282.db2.gz ISLYQFGCFHZVBV-XPKDYRNWSA-N 2 1 330.432 1.037 20 0 EDADMP Cn1cc([C@@H]2[C@@H](CNC(=O)N3CC[C@@H]([NH+](C)C)C3)CCC[N@H+]2C)cn1 ZINC000377711393 447309305 /nfs/dbraw/zinc/30/93/05/447309305.db2.gz ZYOILCWOCFBEEE-OIISXLGYSA-N 2 1 348.495 1.149 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000660216312 453136855 /nfs/dbraw/zinc/13/68/55/453136855.db2.gz RDXBPVRWSSZZMN-AWEZNQCLSA-N 2 1 326.485 1.269 20 0 EDADMP CN(CC(F)(F)F)C(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420380321 304753864 /nfs/dbraw/zinc/75/38/64/304753864.db2.gz NTLUDNDUDGRLQI-OCCSQVGLSA-N 2 1 337.386 1.225 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372867730 447326490 /nfs/dbraw/zinc/32/64/90/447326490.db2.gz HZSKQUAZSWQIDH-MOPGFXCFSA-N 2 1 342.487 1.015 20 0 EDADMP COC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000293694105 303004559 /nfs/dbraw/zinc/00/45/59/303004559.db2.gz WNBFDIHDRVBBKI-VQIMIIECSA-N 2 1 345.487 1.876 20 0 EDADMP COC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000293694105 303004562 /nfs/dbraw/zinc/00/45/62/303004562.db2.gz WNBFDIHDRVBBKI-VQIMIIECSA-N 2 1 345.487 1.876 20 0 EDADMP [NH3+]CCC[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccccc1 ZINC000359271149 303377875 /nfs/dbraw/zinc/37/78/75/303377875.db2.gz FXPKHBGCDJJWFW-UHFFFAOYSA-N 2 1 344.459 1.702 20 0 EDADMP [NH3+]CCC[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccccc1 ZINC000359271149 303377878 /nfs/dbraw/zinc/37/78/78/303377878.db2.gz FXPKHBGCDJJWFW-UHFFFAOYSA-N 2 1 344.459 1.702 20 0 EDADMP [NH3+]CCN(CCO)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000417312552 303380804 /nfs/dbraw/zinc/38/08/04/303380804.db2.gz SMXWNGVHHRZYNO-QGZVFWFLSA-N 2 1 334.464 1.004 20 0 EDADMP [NH3+]CC[C@H](NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(F)F ZINC000417670557 303388297 /nfs/dbraw/zinc/38/82/97/303388297.db2.gz OWNBJFLKTTYUEX-CABCVRRESA-N 2 1 340.418 1.933 20 0 EDADMP Cc1nc(CN2CCC[C@@H]([NH2+]Cc3c[nH+]ccc3N(C)C)C2)no1 ZINC000368300755 303839426 /nfs/dbraw/zinc/83/94/26/303839426.db2.gz BCEFQACKZYVQJP-OAHLLOKOSA-N 2 1 330.436 1.593 20 0 EDADMP C[C@H](CNC(=O)N1CCN(CCO)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000458386117 447339658 /nfs/dbraw/zinc/33/96/58/447339658.db2.gz VWYFWTRVHUTJJQ-IAGOWNOFSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000458386117 447339661 /nfs/dbraw/zinc/33/96/61/447339661.db2.gz VWYFWTRVHUTJJQ-IAGOWNOFSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000458386117 447339664 /nfs/dbraw/zinc/33/96/64/447339664.db2.gz VWYFWTRVHUTJJQ-IAGOWNOFSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](CCO)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000458386117 447339669 /nfs/dbraw/zinc/33/96/69/447339669.db2.gz VWYFWTRVHUTJJQ-IAGOWNOFSA-N 2 1 348.491 1.215 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)C(C)C ZINC000422098308 447345964 /nfs/dbraw/zinc/34/59/64/447345964.db2.gz BUENOYPDVWLYLF-MRXNPFEDSA-N 2 1 340.512 1.116 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000423401706 304894609 /nfs/dbraw/zinc/89/46/09/304894609.db2.gz GQTHKUKQVZJHQM-DDTOSNHZSA-N 2 1 341.249 1.833 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424017255 304925378 /nfs/dbraw/zinc/92/53/78/304925378.db2.gz FUIBAVCGATVVOF-WBVHZDCISA-N 2 1 332.492 1.470 20 0 EDADMP C[C@H]1C[C@H]1[N@H+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000428994719 305021929 /nfs/dbraw/zinc/02/19/29/305021929.db2.gz FWUZBQKEILNYOC-JTDSTZFVSA-N 2 1 348.535 1.392 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2CC[N@@H+]2CCCOCC2)C[C@@H](C)O1 ZINC000429728228 305035818 /nfs/dbraw/zinc/03/58/18/305035818.db2.gz DUBVDSBSIVVXJW-KURKYZTESA-N 2 1 325.497 1.282 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2CC[N@H+]2CCCOCC2)C[C@@H](C)O1 ZINC000429728228 305035819 /nfs/dbraw/zinc/03/58/19/305035819.db2.gz DUBVDSBSIVVXJW-KURKYZTESA-N 2 1 325.497 1.282 20 0 EDADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430618025 305059396 /nfs/dbraw/zinc/05/93/96/305059396.db2.gz QPVWGKPQWIABAF-INIZCTEOSA-N 2 1 344.459 1.077 20 0 EDADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430618025 305059397 /nfs/dbraw/zinc/05/93/97/305059397.db2.gz QPVWGKPQWIABAF-INIZCTEOSA-N 2 1 344.459 1.077 20 0 EDADMP COc1ccc(OCC[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430624158 305059885 /nfs/dbraw/zinc/05/98/85/305059885.db2.gz IJDZSWRBHJENTA-MRXNPFEDSA-N 2 1 347.459 1.218 20 0 EDADMP COc1cccc(CCC[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430642912 305060964 /nfs/dbraw/zinc/06/09/64/305060964.db2.gz PZGQNYZCIFMJPG-GOSISDBHSA-N 2 1 345.487 1.772 20 0 EDADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000430746118 305064018 /nfs/dbraw/zinc/06/40/18/305064018.db2.gz BFIOYOSMYXRJDM-QZTJIDSGSA-N 2 1 345.487 1.564 20 0 EDADMP CCC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430878914 305066694 /nfs/dbraw/zinc/06/66/94/305066694.db2.gz QGVFMULBFCDWGD-CABCVRRESA-N 2 1 332.448 1.450 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000430953485 305070526 /nfs/dbraw/zinc/07/05/26/305070526.db2.gz UALXWXQGFOYRSL-DZGCQCFKSA-N 2 1 335.448 1.331 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000430953485 305070527 /nfs/dbraw/zinc/07/05/27/305070527.db2.gz UALXWXQGFOYRSL-DZGCQCFKSA-N 2 1 335.448 1.331 20 0 EDADMP C[C@H]([NH3+])CC(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000431011487 305072732 /nfs/dbraw/zinc/07/27/32/305072732.db2.gz UWSFYKJJLCYRRX-LBPRGKRZSA-N 2 1 331.420 1.113 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000431048381 305073725 /nfs/dbraw/zinc/07/37/25/305073725.db2.gz JULHEIWOSXNGCY-KURKYZTESA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000432553907 305093712 /nfs/dbraw/zinc/09/37/12/305093712.db2.gz KAMPSBPXZGDMSG-INIZCTEOSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000434684562 305127668 /nfs/dbraw/zinc/12/76/68/305127668.db2.gz LQYZBBFECCXFSI-UKRRQHHQSA-N 2 1 332.448 1.450 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435559895 305142297 /nfs/dbraw/zinc/14/22/97/305142297.db2.gz RNMBQJRRQGWYLF-HNNXBMFYSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[N@@H+]1CCCC[C@H]1C ZINC000435570455 305142671 /nfs/dbraw/zinc/14/26/71/305142671.db2.gz NREOZVZYOWDXFP-ZIAGYGMSSA-N 2 1 336.484 1.548 20 0 EDADMP C[C@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[N@H+]1CCCC[C@H]1C ZINC000435570455 305142672 /nfs/dbraw/zinc/14/26/72/305142672.db2.gz NREOZVZYOWDXFP-ZIAGYGMSSA-N 2 1 336.484 1.548 20 0 EDADMP C[C@H](C(=O)N1CCN(CC[NH+]2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000435944692 305149844 /nfs/dbraw/zinc/14/98/44/305149844.db2.gz SVSGTHUOVHDGQD-FGTMMUONSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440164307 305204009 /nfs/dbraw/zinc/20/40/09/305204009.db2.gz OIARBCHUSDHLAY-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440164307 305204010 /nfs/dbraw/zinc/20/40/10/305204010.db2.gz OIARBCHUSDHLAY-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440164307 305204011 /nfs/dbraw/zinc/20/40/11/305204011.db2.gz OIARBCHUSDHLAY-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP CNC(=O)c1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000441188911 305218589 /nfs/dbraw/zinc/21/85/89/305218589.db2.gz MPDLEQDUYFMBJQ-FGTMMUONSA-N 2 1 331.460 1.730 20 0 EDADMP CNC(=O)c1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000441188911 305218590 /nfs/dbraw/zinc/21/85/90/305218590.db2.gz MPDLEQDUYFMBJQ-FGTMMUONSA-N 2 1 331.460 1.730 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)COCc1ccccc1 ZINC000441268658 305219944 /nfs/dbraw/zinc/21/99/44/305219944.db2.gz YRXVCHHJJLVJBH-FUMNGEBKSA-N 2 1 348.487 1.748 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000444371295 305247363 /nfs/dbraw/zinc/24/73/63/305247363.db2.gz GKXKZRBEZTWBHA-QAPCUYQASA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000444371295 305247364 /nfs/dbraw/zinc/24/73/64/305247364.db2.gz GKXKZRBEZTWBHA-QAPCUYQASA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000444371295 305247365 /nfs/dbraw/zinc/24/73/65/305247365.db2.gz GKXKZRBEZTWBHA-QAPCUYQASA-N 2 1 337.508 1.697 20 0 EDADMP COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444588557 305251180 /nfs/dbraw/zinc/25/11/80/305251180.db2.gz DMGCJTZSGKNSEF-IRXDYDNUSA-N 2 1 325.497 1.726 20 0 EDADMP CC1(C)CCC[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000444612199 305251709 /nfs/dbraw/zinc/25/17/09/305251709.db2.gz HXJGFLNKYYFAKU-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP CC1(C)CCC[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000444612199 305251710 /nfs/dbraw/zinc/25/17/10/305251710.db2.gz HXJGFLNKYYFAKU-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP CC1(C)CCC[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000444612199 305251711 /nfs/dbraw/zinc/25/17/11/305251711.db2.gz HXJGFLNKYYFAKU-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)c2)C[C@@H](C)O1 ZINC000446368296 305263723 /nfs/dbraw/zinc/26/37/23/305263723.db2.gz DLXMWTPUCREYSX-LNCBFAARSA-N 2 1 335.423 1.934 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[C@H](C)O1 ZINC000449082991 305305989 /nfs/dbraw/zinc/30/59/89/305305989.db2.gz ROXNDZWZKXTYIZ-RVKKMQEKSA-N 2 1 331.460 1.730 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@H](C)O1 ZINC000449318655 305311254 /nfs/dbraw/zinc/31/12/54/305311254.db2.gz WSOABKZUAPTAEX-QKLQHJQFSA-N 2 1 345.487 1.533 20 0 EDADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000449331740 305311679 /nfs/dbraw/zinc/31/16/79/305311679.db2.gz APDIZSBIOJUWRZ-INIZCTEOSA-N 2 1 326.529 1.400 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000449337514 305311947 /nfs/dbraw/zinc/31/19/47/305311947.db2.gz BWTOPZDVKYPMAD-FRFSOERESA-N 2 1 344.459 1.178 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CC[C@@H](C)O3)C2)CC1 ZINC000451531498 305351543 /nfs/dbraw/zinc/35/15/43/305351543.db2.gz RVIYOKKWKJYDJY-NEWSRXKRSA-N 2 1 337.508 1.820 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CC[C@@H](C)O3)C2)CC1 ZINC000451531498 305351544 /nfs/dbraw/zinc/35/15/44/305351544.db2.gz RVIYOKKWKJYDJY-NEWSRXKRSA-N 2 1 337.508 1.820 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H]3CC[C@@H](C)O3)C2)CC1 ZINC000451531498 305351545 /nfs/dbraw/zinc/35/15/45/305351545.db2.gz RVIYOKKWKJYDJY-NEWSRXKRSA-N 2 1 337.508 1.820 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H]3CC[C@@H](C)O3)C2)CC1 ZINC000451531498 305351546 /nfs/dbraw/zinc/35/15/46/305351546.db2.gz RVIYOKKWKJYDJY-NEWSRXKRSA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCOCC1 ZINC000660711094 453539357 /nfs/dbraw/zinc/53/93/57/453539357.db2.gz URHCDEKZJPEXQV-AWEZNQCLSA-N 2 1 326.485 1.269 20 0 EDADMP C[NH+](C)CCCCC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000514744745 305704343 /nfs/dbraw/zinc/70/43/43/305704343.db2.gz QZXHEISQKSHCOP-UHFFFAOYSA-N 2 1 332.492 1.657 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2c[nH]c3ncccc23)CC1 ZINC000517650980 305754788 /nfs/dbraw/zinc/75/47/88/305754788.db2.gz OQDIJZLHEJYRFG-UHFFFAOYSA-N 2 1 336.399 1.962 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000414932928 447361769 /nfs/dbraw/zinc/36/17/69/447361769.db2.gz WFDPLFIDSJZMNH-MRXNPFEDSA-N 2 1 332.448 1.287 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000414931240 447362190 /nfs/dbraw/zinc/36/21/90/447362190.db2.gz UIQDIOXCIPDBFI-OAHLLOKOSA-N 2 1 332.448 1.287 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000535723472 306014976 /nfs/dbraw/zinc/01/49/76/306014976.db2.gz LAZLPNRINXGGLN-RBUKOAKNSA-N 2 1 348.535 1.537 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000535723472 306014977 /nfs/dbraw/zinc/01/49/77/306014977.db2.gz LAZLPNRINXGGLN-RBUKOAKNSA-N 2 1 348.535 1.537 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000535723472 306014978 /nfs/dbraw/zinc/01/49/78/306014978.db2.gz LAZLPNRINXGGLN-RBUKOAKNSA-N 2 1 348.535 1.537 20 0 EDADMP CCC[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@H+]1CCOC ZINC000540927775 306041741 /nfs/dbraw/zinc/04/17/41/306041741.db2.gz CTYPFNUNCQRKOJ-GOSISDBHSA-N 2 1 348.491 1.867 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000543278972 306062019 /nfs/dbraw/zinc/06/20/19/306062019.db2.gz KEELEPFYCRHQEO-LPHOPBHVSA-N 2 1 345.487 1.642 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000543278972 306062020 /nfs/dbraw/zinc/06/20/20/306062020.db2.gz KEELEPFYCRHQEO-LPHOPBHVSA-N 2 1 345.487 1.642 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)COCC(F)(F)F)CC1 ZINC000548451038 306127955 /nfs/dbraw/zinc/12/79/55/306127955.db2.gz MKJXIJKIIZGACO-UHFFFAOYSA-N 2 1 332.326 1.351 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000548825939 306139125 /nfs/dbraw/zinc/13/91/25/306139125.db2.gz LOEKIHQXQLSUEQ-MRXNPFEDSA-N 2 1 331.460 1.477 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000548825939 306139126 /nfs/dbraw/zinc/13/91/26/306139126.db2.gz LOEKIHQXQLSUEQ-MRXNPFEDSA-N 2 1 331.460 1.477 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000414944102 447367825 /nfs/dbraw/zinc/36/78/25/447367825.db2.gz NJLUIYDJYDHATP-CZUORRHYSA-N 2 1 332.448 1.189 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000557135833 306224801 /nfs/dbraw/zinc/22/48/01/306224801.db2.gz SVUXCCGKBKTFGC-FCGDIQPGSA-N 2 1 342.487 1.948 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000557214711 306226507 /nfs/dbraw/zinc/22/65/07/306226507.db2.gz HARFHQNNDRRJSD-SFHVURJKSA-N 2 1 348.491 1.441 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC000422142618 447368937 /nfs/dbraw/zinc/36/89/37/447368937.db2.gz ONMIPNNALPUGMK-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C1 ZINC000422142618 447368949 /nfs/dbraw/zinc/36/89/49/447368949.db2.gz ONMIPNNALPUGMK-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)C1 ZINC000422142618 447368952 /nfs/dbraw/zinc/36/89/52/447368952.db2.gz ONMIPNNALPUGMK-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP COC[C@@]1(CNCc2nc3c(s2)C[N@H+](C(C)C)CC3)CCC[NH2+]1 ZINC000414949218 447371443 /nfs/dbraw/zinc/37/14/43/447371443.db2.gz ZENDIGHUEYSJAF-KRWDZBQOSA-N 2 1 338.521 1.768 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000414954639 447371941 /nfs/dbraw/zinc/37/19/41/447371941.db2.gz LRAYBWVBYPSETI-DYVFJYSZSA-N 2 1 344.459 1.334 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000458445450 447372721 /nfs/dbraw/zinc/37/27/21/447372721.db2.gz WICGGVDAWFSCBC-SJORKVTESA-N 2 1 340.512 1.397 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458445450 447372727 /nfs/dbraw/zinc/37/27/27/447372727.db2.gz WICGGVDAWFSCBC-SJORKVTESA-N 2 1 340.512 1.397 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458445450 447372733 /nfs/dbraw/zinc/37/27/33/447372733.db2.gz WICGGVDAWFSCBC-SJORKVTESA-N 2 1 340.512 1.397 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000414964031 447376615 /nfs/dbraw/zinc/37/66/15/447376615.db2.gz LLNYVWILHSVBMN-NVXWUHKLSA-N 2 1 344.459 1.287 20 0 EDADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)c(Cl)c1 ZINC000414978638 447381629 /nfs/dbraw/zinc/38/16/29/447381629.db2.gz SCDILBYFGTUHMO-KBPBESRZSA-N 2 1 338.883 1.859 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000458520116 447398113 /nfs/dbraw/zinc/39/81/13/447398113.db2.gz WPOXBKMPIRSJGX-BZUAXINKSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)[NH+](C)CC(=O)Nc1cccc(CNC(=O)C[N@H+](C)C(C)C)c1 ZINC000101517616 441156314 /nfs/dbraw/zinc/15/63/14/441156314.db2.gz NMZJQRGBAITCEP-UHFFFAOYSA-N 2 1 348.491 1.922 20 0 EDADMP CC(C)[NH+](C)CC(=O)NCc1cccc(NC(=O)C[N@H+](C)C(C)C)c1 ZINC000101517616 441156317 /nfs/dbraw/zinc/15/63/17/441156317.db2.gz NMZJQRGBAITCEP-UHFFFAOYSA-N 2 1 348.491 1.922 20 0 EDADMP CC(C)[NH+](C)CC(=O)NCc1cccc(NC(=O)C[N@@H+](C)C(C)C)c1 ZINC000101517616 441156320 /nfs/dbraw/zinc/15/63/20/441156320.db2.gz NMZJQRGBAITCEP-UHFFFAOYSA-N 2 1 348.491 1.922 20 0 EDADMP C[C@H](CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[N@H+](C)C1CC1 ZINC000105099143 441231851 /nfs/dbraw/zinc/23/18/51/441231851.db2.gz QTHYOGQJEIASBU-RBSFLKMASA-N 2 1 340.512 1.656 20 0 EDADMP C[C@H](CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000105099143 441231854 /nfs/dbraw/zinc/23/18/54/441231854.db2.gz QTHYOGQJEIASBU-RBSFLKMASA-N 2 1 340.512 1.656 20 0 EDADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)[NH+]1CCc2ccccc2C1 ZINC000072886835 441273730 /nfs/dbraw/zinc/27/37/30/441273730.db2.gz KRXQKZWVOROBFJ-RTBURBONSA-N 2 1 345.487 1.660 20 0 EDADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)[NH+]1CCc2ccccc2C1 ZINC000072886835 441273733 /nfs/dbraw/zinc/27/37/33/441273733.db2.gz KRXQKZWVOROBFJ-RTBURBONSA-N 2 1 345.487 1.660 20 0 EDADMP CC[C@H](CNC(=O)[C@H]1C[NH+](CC)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000072886835 441273736 /nfs/dbraw/zinc/27/37/36/441273736.db2.gz KRXQKZWVOROBFJ-RTBURBONSA-N 2 1 345.487 1.660 20 0 EDADMP CC[C@H](CNC(=O)[C@H]1C[NH+](CC)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000072886835 441273738 /nfs/dbraw/zinc/27/37/38/441273738.db2.gz KRXQKZWVOROBFJ-RTBURBONSA-N 2 1 345.487 1.660 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000073012876 441286302 /nfs/dbraw/zinc/28/63/02/441286302.db2.gz GYMQLZKLUNYRAN-QGZVFWFLSA-N 2 1 330.476 1.116 20 0 EDADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000073639872 441336630 /nfs/dbraw/zinc/33/66/30/441336630.db2.gz FBFUPBHWYUVQIT-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000073639872 441336636 /nfs/dbraw/zinc/33/66/36/441336636.db2.gz FBFUPBHWYUVQIT-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000073639872 441336639 /nfs/dbraw/zinc/33/66/39/441336639.db2.gz FBFUPBHWYUVQIT-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000073639872 441336643 /nfs/dbraw/zinc/33/66/43/441336643.db2.gz FBFUPBHWYUVQIT-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP CC(=O)NCCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000108865476 441478604 /nfs/dbraw/zinc/47/86/04/441478604.db2.gz MGMPUFXUZLXYGG-UHFFFAOYSA-N 2 1 332.492 1.262 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000074616576 441450597 /nfs/dbraw/zinc/45/05/97/441450597.db2.gz WPVNSUFDONMQEW-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000108506544 441458447 /nfs/dbraw/zinc/45/84/47/441458447.db2.gz GEMPXNGAIUPDCQ-INIZCTEOSA-N 2 1 346.475 1.982 20 0 EDADMP CC(C)C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000108547649 441463363 /nfs/dbraw/zinc/46/33/63/441463363.db2.gz MJLKEJWZSXBBID-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000108547649 441463365 /nfs/dbraw/zinc/46/33/65/441463365.db2.gz MJLKEJWZSXBBID-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1)Cc1ccccc1 ZINC000108562859 441464121 /nfs/dbraw/zinc/46/41/21/441464121.db2.gz RPXGQLQANRYQBS-GOSISDBHSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+](CCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000108562859 441464127 /nfs/dbraw/zinc/46/41/27/441464127.db2.gz RPXGQLQANRYQBS-GOSISDBHSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000108562859 441464132 /nfs/dbraw/zinc/46/41/32/441464132.db2.gz RPXGQLQANRYQBS-GOSISDBHSA-N 2 1 330.476 1.902 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066187768 441510428 /nfs/dbraw/zinc/51/04/28/441510428.db2.gz WUQAJIJTNKBLFL-INIZCTEOSA-N 2 1 348.516 1.986 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066187768 441510433 /nfs/dbraw/zinc/51/04/33/441510433.db2.gz WUQAJIJTNKBLFL-INIZCTEOSA-N 2 1 348.516 1.986 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C(=O)NC)c3)C2)CC1 ZINC000113997732 441631047 /nfs/dbraw/zinc/63/10/47/441631047.db2.gz RJIQGKGBNGBZPD-SFHVURJKSA-N 2 1 330.476 1.258 20 0 EDADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173403145 441736245 /nfs/dbraw/zinc/73/62/45/441736245.db2.gz FQONHGGVDRSRGO-LSDHHAIUSA-N 2 1 339.505 1.929 20 0 EDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173403145 441736252 /nfs/dbraw/zinc/73/62/52/441736252.db2.gz FQONHGGVDRSRGO-LSDHHAIUSA-N 2 1 339.505 1.929 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000137223460 441757386 /nfs/dbraw/zinc/75/73/86/441757386.db2.gz HZDRUSHFRAJKFR-ZBFHGGJFSA-N 2 1 334.464 1.434 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(CC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000139823194 441827452 /nfs/dbraw/zinc/82/74/52/441827452.db2.gz IHRDPYDZMANXIL-IRXDYDNUSA-N 2 1 344.459 1.429 20 0 EDADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000077774244 441857145 /nfs/dbraw/zinc/85/71/45/441857145.db2.gz BACGGJBNCJQGKB-SJORKVTESA-N 3 1 341.544 1.384 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](C)CCO)CC1 ZINC000093303098 441876377 /nfs/dbraw/zinc/87/63/77/441876377.db2.gz XFJVTTLVLGYVCI-QGZVFWFLSA-N 2 1 347.503 1.860 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000174601431 441942809 /nfs/dbraw/zinc/94/28/09/441942809.db2.gz NZFWVPNVXVREIR-ROUUACIJSA-N 2 1 333.476 1.386 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000174601431 441942814 /nfs/dbraw/zinc/94/28/14/441942814.db2.gz NZFWVPNVXVREIR-ROUUACIJSA-N 2 1 333.476 1.386 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723378 441959940 /nfs/dbraw/zinc/95/99/40/441959940.db2.gz UFJZBJWFVLMXFM-KURKYZTESA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174889853 441980256 /nfs/dbraw/zinc/98/02/56/441980256.db2.gz HUJHASQNVRHNAF-ROUUACIJSA-N 2 1 338.540 1.639 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000126030308 442070855 /nfs/dbraw/zinc/07/08/55/442070855.db2.gz DRQHXBLRQKYNOL-GOEBONIOSA-N 2 1 338.496 1.412 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000176086769 442173734 /nfs/dbraw/zinc/17/37/34/442173734.db2.gz BKLSLNVGXDATFY-NVXWUHKLSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000163795602 442182840 /nfs/dbraw/zinc/18/28/40/442182840.db2.gz OXFPZUSAHNKVNK-RVKKMQEKSA-N 2 1 333.476 1.972 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000120968373 442159287 /nfs/dbraw/zinc/15/92/87/442159287.db2.gz FEELTYLXFXPDFQ-LJQANCHMSA-N 2 1 345.487 1.914 20 0 EDADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)OCO2 ZINC000128201449 442251577 /nfs/dbraw/zinc/25/15/77/442251577.db2.gz CTGWWBVJDUXMQL-ZFWWWQNUSA-N 2 1 333.432 1.653 20 0 EDADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)OCO2 ZINC000128201449 442251580 /nfs/dbraw/zinc/25/15/80/442251580.db2.gz CTGWWBVJDUXMQL-ZFWWWQNUSA-N 2 1 333.432 1.653 20 0 EDADMP C[N@H+]1CCC[C@H]1CCN1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000128246606 442255101 /nfs/dbraw/zinc/25/51/01/442255101.db2.gz APRPGVJQVJOISA-SFHVURJKSA-N 2 1 336.524 1.537 20 0 EDADMP C[NH+]1CCC(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000170629705 442239335 /nfs/dbraw/zinc/23/93/35/442239335.db2.gz XSJVFPGKKDAXNU-UHFFFAOYSA-N 2 1 344.503 1.262 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000153700486 442297669 /nfs/dbraw/zinc/29/76/69/442297669.db2.gz SRAOOEWMWDNZKM-INIZCTEOSA-N 2 1 342.528 1.451 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000171198235 442326204 /nfs/dbraw/zinc/32/62/04/442326204.db2.gz SWXVKSKEXFHPCQ-INIZCTEOSA-N 2 1 348.491 1.311 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000171198235 442326206 /nfs/dbraw/zinc/32/62/06/442326206.db2.gz SWXVKSKEXFHPCQ-INIZCTEOSA-N 2 1 348.491 1.311 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000171198235 442326209 /nfs/dbraw/zinc/32/62/09/442326209.db2.gz SWXVKSKEXFHPCQ-INIZCTEOSA-N 2 1 348.491 1.311 20 0 EDADMP CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](CC)CC2)C12CCC2 ZINC000153970747 442314020 /nfs/dbraw/zinc/31/40/20/442314020.db2.gz HOUDEZMWJANDKA-IRXDYDNUSA-N 2 1 337.508 1.866 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171632425 442364939 /nfs/dbraw/zinc/36/49/39/442364939.db2.gz URRCDQYGQLDMGD-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000177870229 442392483 /nfs/dbraw/zinc/39/24/83/442392483.db2.gz QZGMHSYULGZYRS-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000155434417 442398141 /nfs/dbraw/zinc/39/81/41/442398141.db2.gz MVXHWTAYHBNBNX-OAHLLOKOSA-N 2 1 329.510 1.041 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C[C@@H]2CSCC[NH2+]2)C[C@H](C)O1 ZINC000133408413 442417123 /nfs/dbraw/zinc/41/71/23/442417123.db2.gz LXJLPASBXXKZSY-HZSPNIEDSA-N 2 1 329.510 1.086 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CSCC[NH2+]2)C[C@H](C)O1 ZINC000133408413 442417128 /nfs/dbraw/zinc/41/71/28/442417128.db2.gz LXJLPASBXXKZSY-HZSPNIEDSA-N 2 1 329.510 1.086 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C2)cc(OC)c1 ZINC000178842291 442500297 /nfs/dbraw/zinc/50/02/97/442500297.db2.gz UQUVXBDMCYCHQD-WMLDXEAASA-N 2 1 349.475 1.768 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C2)cc(OC)c1 ZINC000178842291 442500300 /nfs/dbraw/zinc/50/03/00/442500300.db2.gz UQUVXBDMCYCHQD-WMLDXEAASA-N 2 1 349.475 1.768 20 0 EDADMP CC[C@H](COC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156960586 442538336 /nfs/dbraw/zinc/53/83/36/442538336.db2.gz RKHVRLSECXAKPF-ZWKOTPCHSA-N 2 1 333.476 1.899 20 0 EDADMP COc1ccc([C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000180091794 442539816 /nfs/dbraw/zinc/53/98/16/442539816.db2.gz KMWYRIJOSWGBPR-LJQANCHMSA-N 2 1 331.460 1.900 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000178890270 442515876 /nfs/dbraw/zinc/51/58/76/442515876.db2.gz DYPNLVZHUQMYNC-DLBZAZTESA-N 2 1 330.476 1.313 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000178890576 442516550 /nfs/dbraw/zinc/51/65/50/442516550.db2.gz LIKPISLZKPYKPI-RYRKJORJSA-N 2 1 332.492 1.687 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000172722913 442525644 /nfs/dbraw/zinc/52/56/44/442525644.db2.gz AHTORSAZDUQLCY-GOEBONIOSA-N 2 1 337.489 1.407 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000172722913 442525649 /nfs/dbraw/zinc/52/56/49/442525649.db2.gz AHTORSAZDUQLCY-GOEBONIOSA-N 2 1 337.489 1.407 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000172722913 442525653 /nfs/dbraw/zinc/52/56/53/442525653.db2.gz AHTORSAZDUQLCY-GOEBONIOSA-N 2 1 337.489 1.407 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000172722913 442525659 /nfs/dbraw/zinc/52/56/59/442525659.db2.gz AHTORSAZDUQLCY-GOEBONIOSA-N 2 1 337.489 1.407 20 0 EDADMP Cn1c2ccc(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)cc2sc1=O ZINC000192576375 442665042 /nfs/dbraw/zinc/66/50/42/442665042.db2.gz JVYMKOCUSPIEJC-HNNXBMFYSA-N 2 1 349.500 1.927 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC2)cn1 ZINC000182113631 442737026 /nfs/dbraw/zinc/73/70/26/442737026.db2.gz LTUTUBYLFTZFQO-RDJZCZTQSA-N 2 1 335.496 1.701 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC2)cn1 ZINC000182113631 442737030 /nfs/dbraw/zinc/73/70/30/442737030.db2.gz LTUTUBYLFTZFQO-RDJZCZTQSA-N 2 1 335.496 1.701 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000193503427 442749202 /nfs/dbraw/zinc/74/92/02/442749202.db2.gz CBJHUZFMGSSDFD-MAUKXSAKSA-N 2 1 330.476 1.304 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000181739444 442713834 /nfs/dbraw/zinc/71/38/34/442713834.db2.gz RELYVLQXPXCVKS-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CCO1 ZINC000246538493 442790924 /nfs/dbraw/zinc/79/09/24/442790924.db2.gz SHOHGMORLHKFCB-XYTVBORESA-N 2 1 335.492 1.619 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000246396641 442778875 /nfs/dbraw/zinc/77/88/75/442778875.db2.gz JJVMINGSSOQWNV-GOEBONIOSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000246396641 442778880 /nfs/dbraw/zinc/77/88/80/442778880.db2.gz JJVMINGSSOQWNV-GOEBONIOSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000246396641 442778883 /nfs/dbraw/zinc/77/88/83/442778883.db2.gz JJVMINGSSOQWNV-GOEBONIOSA-N 2 1 326.485 1.125 20 0 EDADMP C[NH+]1CCC[C@H]2CN(CCN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000246931119 442822367 /nfs/dbraw/zinc/82/23/67/442822367.db2.gz NGNGBRYVSBWSEJ-JVSBHGNQSA-N 2 1 334.552 1.819 20 0 EDADMP C[NH+]1CCC[C@@H]2CN(CCN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC[C@@H]21 ZINC000246931119 442822372 /nfs/dbraw/zinc/82/23/72/442822372.db2.gz NGNGBRYVSBWSEJ-JVSBHGNQSA-N 2 1 334.552 1.819 20 0 EDADMP C[NH+]1CCC[C@@H]2CN(CCN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC[C@@H]21 ZINC000246931119 442822374 /nfs/dbraw/zinc/82/23/74/442822374.db2.gz NGNGBRYVSBWSEJ-JVSBHGNQSA-N 2 1 334.552 1.819 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCC(=O)NC3CCCC3)C2)CC1 ZINC000182888591 442842889 /nfs/dbraw/zinc/84/28/89/442842889.db2.gz FSDGLIORFLCELR-SFHVURJKSA-N 2 1 336.524 1.537 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCC(=O)NC3CCCC3)C2)CC1 ZINC000182888591 442842891 /nfs/dbraw/zinc/84/28/91/442842891.db2.gz FSDGLIORFLCELR-SFHVURJKSA-N 2 1 336.524 1.537 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000247279263 442845406 /nfs/dbraw/zinc/84/54/06/442845406.db2.gz SQJLKLDTRLVTLY-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000247279263 442845420 /nfs/dbraw/zinc/84/54/20/442845420.db2.gz SQJLKLDTRLVTLY-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000247279263 442845427 /nfs/dbraw/zinc/84/54/27/442845427.db2.gz SQJLKLDTRLVTLY-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000247279263 442845429 /nfs/dbraw/zinc/84/54/29/442845429.db2.gz SQJLKLDTRLVTLY-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000189173564 442891390 /nfs/dbraw/zinc/89/13/90/442891390.db2.gz HTHPWXAWDIWLDG-CKEIUWERSA-N 2 1 340.489 1.271 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000189173564 442891393 /nfs/dbraw/zinc/89/13/93/442891393.db2.gz HTHPWXAWDIWLDG-CKEIUWERSA-N 2 1 340.489 1.271 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000194472393 442903032 /nfs/dbraw/zinc/90/30/32/442903032.db2.gz RPWHDZHDLNBCQW-INIZCTEOSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000248906370 442937664 /nfs/dbraw/zinc/93/76/64/442937664.db2.gz BHBAYKPSNCYTQY-HZPDHXFCSA-N 2 1 342.528 1.356 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000249030726 442945298 /nfs/dbraw/zinc/94/52/98/442945298.db2.gz LYYKEVHNEYAGSZ-QKPAOTATSA-N 2 1 325.497 1.708 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCn2c(C)csc2=O)[C@@H](C)C1 ZINC000249439274 442974959 /nfs/dbraw/zinc/97/49/59/442974959.db2.gz LRXVRRMFMAYHDI-HOCLYGCPSA-N 2 1 341.521 1.945 20 0 EDADMP CCOCCNC(=O)C[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000189957743 443037363 /nfs/dbraw/zinc/03/73/63/443037363.db2.gz CZYSNPHUOOTCLE-XEWABKELSA-N 2 1 347.503 1.885 20 0 EDADMP CCOCCNC(=O)C[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000189957743 443037366 /nfs/dbraw/zinc/03/73/66/443037366.db2.gz CZYSNPHUOOTCLE-XEWABKELSA-N 2 1 347.503 1.885 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C1CCC(CO)CC1)c1ccccc1 ZINC000184605576 443047843 /nfs/dbraw/zinc/04/78/43/443047843.db2.gz BPISKADGBNVFES-NKELODKYSA-N 2 1 347.503 1.888 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000190183257 443067839 /nfs/dbraw/zinc/06/78/39/443067839.db2.gz YEBPCUCTXAIXEU-KRWDZBQOSA-N 2 1 340.512 1.472 20 0 EDADMP CNC(=O)NC(=O)CNC1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184744880 443071007 /nfs/dbraw/zinc/07/10/07/443071007.db2.gz WNBQLTZJEJYQPS-VMZNBEPHSA-N 2 1 332.448 1.188 20 0 EDADMP CNC(=O)NC(=O)C[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184744880 443071012 /nfs/dbraw/zinc/07/10/12/443071012.db2.gz WNBQLTZJEJYQPS-VMZNBEPHSA-N 2 1 332.448 1.188 20 0 EDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000268874480 443133536 /nfs/dbraw/zinc/13/35/36/443133536.db2.gz WCZDEJZXNOVARR-CZUORRHYSA-N 2 1 341.477 1.165 20 0 EDADMP CO[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000268799441 443112151 /nfs/dbraw/zinc/11/21/51/443112151.db2.gz PIUFNOAKCLFXOU-CVEARBPZSA-N 2 1 349.475 1.860 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261767104 443169058 /nfs/dbraw/zinc/16/90/58/443169058.db2.gz FNOHOKVWEDUGPA-HLLBOEOZSA-N 2 1 325.497 1.615 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237338820 443169832 /nfs/dbraw/zinc/16/98/32/443169832.db2.gz DNZIIMQMJVGJIA-OAGGEKHMSA-N 2 1 333.476 1.881 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237338820 443169834 /nfs/dbraw/zinc/16/98/34/443169834.db2.gz DNZIIMQMJVGJIA-OAGGEKHMSA-N 2 1 333.476 1.881 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000262016577 443180042 /nfs/dbraw/zinc/18/00/42/443180042.db2.gz MUUKYWWCHRVCEB-INIZCTEOSA-N 2 1 342.443 1.760 20 0 EDADMP O=C(CC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)N1CC[NH2+]CC1 ZINC000262051515 443181306 /nfs/dbraw/zinc/18/13/06/443181306.db2.gz IJKRAJAZBZRRGD-SFHVURJKSA-N 2 1 331.460 1.490 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000266723248 443219206 /nfs/dbraw/zinc/21/92/06/443219206.db2.gz UEJSVFYUTCHHAZ-AWEZNQCLSA-N 2 1 326.441 1.150 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000266723248 443219208 /nfs/dbraw/zinc/21/92/08/443219208.db2.gz UEJSVFYUTCHHAZ-AWEZNQCLSA-N 2 1 326.441 1.150 20 0 EDADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)[C@H]1C ZINC000245420666 443226288 /nfs/dbraw/zinc/22/62/88/443226288.db2.gz HPVJGJVQHDNVFX-FGTMMUONSA-N 2 1 338.540 1.497 20 0 EDADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)[C@H]1C ZINC000245420666 443226291 /nfs/dbraw/zinc/22/62/91/443226291.db2.gz HPVJGJVQHDNVFX-FGTMMUONSA-N 2 1 338.540 1.497 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[C@@H]1[NH3+] ZINC000269213486 443235231 /nfs/dbraw/zinc/23/52/31/443235231.db2.gz ONICJICDONHRDO-YJBOKZPZSA-N 2 1 330.476 1.243 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000266705008 443214237 /nfs/dbraw/zinc/21/42/37/443214237.db2.gz PCTDQLYQPFHPJG-QGZVFWFLSA-N 2 1 336.480 1.557 20 0 EDADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000387536483 319131850 /nfs/dbraw/zinc/13/18/50/319131850.db2.gz LGKPXLYUSLPQSR-CVEARBPZSA-N 2 1 326.529 1.399 20 0 EDADMP C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414687968 319342643 /nfs/dbraw/zinc/34/26/43/319342643.db2.gz CIQYFTJMRLKLNS-NUJGCVRESA-N 2 1 331.460 1.646 20 0 EDADMP Cn1c2ccc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cc2sc1=O ZINC000414777244 319343743 /nfs/dbraw/zinc/34/37/43/319343743.db2.gz HVKXJSKKTLDYJQ-AWEZNQCLSA-N 2 1 347.484 1.787 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000414993893 319344540 /nfs/dbraw/zinc/34/45/40/319344540.db2.gz UUMMBYHBUDVBMK-INIZCTEOSA-N 2 1 346.475 1.439 20 0 EDADMP CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@@H]([NH3+])CC(C)C)CC1 ZINC000415084813 319346179 /nfs/dbraw/zinc/34/61/79/319346179.db2.gz ROIICPKGJYHYHC-SFHVURJKSA-N 2 1 332.492 1.818 20 0 EDADMP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000245937333 443259029 /nfs/dbraw/zinc/25/90/29/443259029.db2.gz UFDQCWACHOJDQJ-IRXDYDNUSA-N 2 1 332.492 1.259 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000245937333 443259033 /nfs/dbraw/zinc/25/90/33/443259033.db2.gz UFDQCWACHOJDQJ-IRXDYDNUSA-N 2 1 332.492 1.259 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000415937648 319383869 /nfs/dbraw/zinc/38/38/69/319383869.db2.gz YRUGXCMSVATPQJ-HOTGVXAUSA-N 2 1 334.464 1.979 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415990895 319387731 /nfs/dbraw/zinc/38/77/31/319387731.db2.gz DSPBXZZNAZKSKW-YVECIDJPSA-N 2 1 338.418 1.932 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000416001440 319389115 /nfs/dbraw/zinc/38/91/15/319389115.db2.gz YYAVQIZAQMJVPS-CYBMUJFWSA-N 2 1 346.431 1.391 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)n1C ZINC000416154599 319392455 /nfs/dbraw/zinc/39/24/55/319392455.db2.gz BANAWBGLWZVHGN-MRXNPFEDSA-N 2 1 329.448 1.795 20 0 EDADMP C[NH+](C)C[C@H]1CN(C(=O)CC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000416166710 319396337 /nfs/dbraw/zinc/39/63/37/319396337.db2.gz NQGNEEMJOJCJCZ-SFHVURJKSA-N 2 1 331.460 1.224 20 0 EDADMP C[NH2+]CCCC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000269298722 443271856 /nfs/dbraw/zinc/27/18/56/443271856.db2.gz PDYNAGBLHBIYSI-UHFFFAOYSA-N 2 1 346.519 1.700 20 0 EDADMP C[C@H](C(=O)NCCC1=CCCCC1)N1CCN(c2[nH+]ccn2C)CC1 ZINC000266924486 443292249 /nfs/dbraw/zinc/29/22/49/443292249.db2.gz MXLYXMMHFSNMIW-MRXNPFEDSA-N 2 1 345.491 1.937 20 0 EDADMP COCC1=CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000185851185 443269367 /nfs/dbraw/zinc/26/93/67/443269367.db2.gz KRBFVTIXPAWZGW-GOSISDBHSA-N 2 1 331.460 1.684 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000416937480 319479069 /nfs/dbraw/zinc/47/90/69/319479069.db2.gz JJKCWOPDUAOHEF-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1F ZINC000417273901 319489715 /nfs/dbraw/zinc/48/97/15/319489715.db2.gz YKHATTXASVWAJX-IAQYHMDHSA-N 2 1 331.395 1.951 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)[nH+]c1 ZINC000272489694 443336930 /nfs/dbraw/zinc/33/69/30/443336930.db2.gz SWWGOHQZLMZXIW-HOTGVXAUSA-N 2 1 331.464 1.928 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)[nH+]c1 ZINC000272489694 443336933 /nfs/dbraw/zinc/33/69/33/443336933.db2.gz SWWGOHQZLMZXIW-HOTGVXAUSA-N 2 1 331.464 1.928 20 0 EDADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(=O)NC(N)=O ZINC000282560359 443374571 /nfs/dbraw/zinc/37/45/71/443374571.db2.gz UFSSJPMVLVPPQW-MRXNPFEDSA-N 2 1 346.475 1.852 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(=O)NC(N)=O ZINC000282560359 443374576 /nfs/dbraw/zinc/37/45/76/443374576.db2.gz UFSSJPMVLVPPQW-MRXNPFEDSA-N 2 1 346.475 1.852 20 0 EDADMP C[N@H+]1CCN(CCN[C@@H](c2ncc[nH]2)c2cccnc2)CC1(C)C ZINC000282506006 443359124 /nfs/dbraw/zinc/35/91/24/443359124.db2.gz YLGDGGJYHYTAHH-MRXNPFEDSA-N 2 1 328.464 1.510 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000264767180 443415271 /nfs/dbraw/zinc/41/52/71/443415271.db2.gz UVZFCUGVFFGLGR-MSOLQXFVSA-N 2 1 330.476 1.013 20 0 EDADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000264767180 443415272 /nfs/dbraw/zinc/41/52/72/443415272.db2.gz UVZFCUGVFFGLGR-MSOLQXFVSA-N 2 1 330.476 1.013 20 0 EDADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000264767180 443415273 /nfs/dbraw/zinc/41/52/73/443415273.db2.gz UVZFCUGVFFGLGR-MSOLQXFVSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000422949078 319740509 /nfs/dbraw/zinc/74/05/09/319740509.db2.gz SQKLEDBMNNKIBL-LTCOOKNTSA-N 2 1 331.460 1.905 20 0 EDADMP Nc1nc(-n2cccn2)cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[nH+]1 ZINC000271381849 443502964 /nfs/dbraw/zinc/50/29/64/443502964.db2.gz GCERDWQQKYUAPV-ZFWWWQNUSA-N 2 1 339.447 1.698 20 0 EDADMP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2n(n1)CCC2 ZINC000423404389 319772248 /nfs/dbraw/zinc/77/22/48/319772248.db2.gz YGRKWABDLRJPPI-FZMZJTMJSA-N 2 1 331.386 1.316 20 0 EDADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423498752 319778928 /nfs/dbraw/zinc/77/89/28/319778928.db2.gz BYLDSVIUYMZPSN-HOTGVXAUSA-N 2 1 338.293 1.800 20 0 EDADMP CO[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000267681249 443539165 /nfs/dbraw/zinc/53/91/65/443539165.db2.gz QRLPOJUVKONSHX-SFHVURJKSA-N 2 1 331.460 1.619 20 0 EDADMP CO[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000267681249 443539170 /nfs/dbraw/zinc/53/91/70/443539170.db2.gz QRLPOJUVKONSHX-SFHVURJKSA-N 2 1 331.460 1.619 20 0 EDADMP CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000267760150 443568081 /nfs/dbraw/zinc/56/80/81/443568081.db2.gz FNDQNIUQBGHHCI-SZMVWBNQSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000267760150 443568084 /nfs/dbraw/zinc/56/80/84/443568084.db2.gz FNDQNIUQBGHHCI-SZMVWBNQSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@H]1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000267760150 443568087 /nfs/dbraw/zinc/56/80/87/443568087.db2.gz FNDQNIUQBGHHCI-SZMVWBNQSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@H]1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000267760150 443568091 /nfs/dbraw/zinc/56/80/91/443568091.db2.gz FNDQNIUQBGHHCI-SZMVWBNQSA-N 2 1 331.460 1.486 20 0 EDADMP Cn1ncc(Br)c1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441350669 320094196 /nfs/dbraw/zinc/09/41/96/320094196.db2.gz CBOUFYAAUGNYCE-UHFFFAOYSA-N 2 1 344.301 1.298 20 0 EDADMP Cn1ncc(Br)c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441350669 320094198 /nfs/dbraw/zinc/09/41/98/320094198.db2.gz CBOUFYAAUGNYCE-UHFFFAOYSA-N 2 1 344.301 1.298 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000286202103 443666965 /nfs/dbraw/zinc/66/69/65/443666965.db2.gz SFAAXRLCBUQBLK-ZTRFORPCSA-N 2 1 345.487 1.780 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000286202103 443666966 /nfs/dbraw/zinc/66/69/66/443666966.db2.gz SFAAXRLCBUQBLK-ZTRFORPCSA-N 2 1 345.487 1.780 20 0 EDADMP COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000447394662 320140654 /nfs/dbraw/zinc/14/06/54/320140654.db2.gz MLDHXDPWZIBENQ-IAGOWNOFSA-N 2 1 325.453 1.318 20 0 EDADMP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000447394662 320140657 /nfs/dbraw/zinc/14/06/57/320140657.db2.gz MLDHXDPWZIBENQ-IAGOWNOFSA-N 2 1 325.453 1.318 20 0 EDADMP COCCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000450674853 320221647 /nfs/dbraw/zinc/22/16/47/320221647.db2.gz CGCSGDOPMQZSTQ-KDOFPFPSSA-N 2 1 333.432 1.855 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC000450694150 320223889 /nfs/dbraw/zinc/22/38/89/320223889.db2.gz PCJAVQLRBPKZPO-SJORKVTESA-N 2 1 325.497 1.819 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC000450694150 320223891 /nfs/dbraw/zinc/22/38/91/320223891.db2.gz PCJAVQLRBPKZPO-SJORKVTESA-N 2 1 325.497 1.819 20 0 EDADMP COC(=O)CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC000450694150 320223893 /nfs/dbraw/zinc/22/38/93/320223893.db2.gz PCJAVQLRBPKZPO-SJORKVTESA-N 2 1 325.497 1.819 20 0 EDADMP COC(=O)CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC000450694150 320223896 /nfs/dbraw/zinc/22/38/96/320223896.db2.gz PCJAVQLRBPKZPO-SJORKVTESA-N 2 1 325.497 1.819 20 0 EDADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CCO)C[C@@H]2C)cc1)C1CC1 ZINC000457105330 320319695 /nfs/dbraw/zinc/31/96/95/320319695.db2.gz DRMNVUGQOBBYHA-INIZCTEOSA-N 2 1 345.487 1.810 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CCO)C[C@@H]2C)cc1)C1CC1 ZINC000457105330 320319696 /nfs/dbraw/zinc/31/96/96/320319696.db2.gz DRMNVUGQOBBYHA-INIZCTEOSA-N 2 1 345.487 1.810 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1)C1CC1 ZINC000457105330 320319697 /nfs/dbraw/zinc/31/96/97/320319697.db2.gz DRMNVUGQOBBYHA-INIZCTEOSA-N 2 1 345.487 1.810 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1)C1CC1 ZINC000457105330 320319698 /nfs/dbraw/zinc/31/96/98/320319698.db2.gz DRMNVUGQOBBYHA-INIZCTEOSA-N 2 1 345.487 1.810 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)C2C[NH+](C3CCCCC3)C2)CCCO1 ZINC000457747167 320334720 /nfs/dbraw/zinc/33/47/20/320334720.db2.gz DOCKPEDLRGPEBT-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457753751 320335275 /nfs/dbraw/zinc/33/52/75/320335275.db2.gz NVXCCUYBAZJAOT-HNNXBMFYSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H](NC(=O)N1CC[N@H+](CCO)C[C@@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000458778623 320341084 /nfs/dbraw/zinc/34/10/84/320341084.db2.gz RACWWXLUYMHMNP-XYJFISCASA-N 2 1 348.491 1.386 20 0 EDADMP C[C@H](NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000458778623 320341085 /nfs/dbraw/zinc/34/10/85/320341085.db2.gz RACWWXLUYMHMNP-XYJFISCASA-N 2 1 348.491 1.386 20 0 EDADMP C[NH+](C)CCN(C(=O)NCC[N@H+]1CCCOCC1)C1CCCC1 ZINC000458851065 320342980 /nfs/dbraw/zinc/34/29/80/320342980.db2.gz USUMOBDUTLFMTB-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCOCC[NH+](C)C ZINC000471631986 320352856 /nfs/dbraw/zinc/35/28/56/320352856.db2.gz ADABMHCYZCTEOV-AEFFLSMTSA-N 2 1 348.491 1.384 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000276442380 443706344 /nfs/dbraw/zinc/70/63/44/443706344.db2.gz XFJOOOWTEBWAQS-HNNXBMFYSA-N 2 1 342.443 1.816 20 0 EDADMP CCc1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+](CCOC)CC2)c1 ZINC000518519551 320458258 /nfs/dbraw/zinc/45/82/58/320458258.db2.gz XIIGDVFPKAGION-SFHVURJKSA-N 2 1 336.476 1.689 20 0 EDADMP CC(C)[C@@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000276692141 443793381 /nfs/dbraw/zinc/79/33/81/443793381.db2.gz UVWSTVSNGIEOFX-LJQANCHMSA-N 2 1 345.487 1.461 20 0 EDADMP CC[NH+]1CCN(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000298665382 443832634 /nfs/dbraw/zinc/83/26/34/443832634.db2.gz SNBFYIWGIBQRFK-KRWDZBQOSA-N 2 1 334.464 1.645 20 0 EDADMP CC(C)[C@H](O)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000292946423 443885910 /nfs/dbraw/zinc/88/59/10/443885910.db2.gz ADNCONXQFKHUAU-WOJBJXKFSA-N 2 1 331.504 1.895 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C1=Cc2ccccc2OC1 ZINC000299018129 443929791 /nfs/dbraw/zinc/92/97/91/443929791.db2.gz BPSZDQDDBHJXAH-UHFFFAOYSA-N 2 1 343.471 1.947 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cn2cc[nH+]c12 ZINC000293391996 444004789 /nfs/dbraw/zinc/00/47/89/444004789.db2.gz LWJXZMQPEMPAIM-GFCCVEGCSA-N 2 1 329.404 1.180 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cn2cc[nH+]c12 ZINC000293391996 444004791 /nfs/dbraw/zinc/00/47/91/444004791.db2.gz LWJXZMQPEMPAIM-GFCCVEGCSA-N 2 1 329.404 1.180 20 0 EDADMP CNC(=O)CCCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000548005592 320854161 /nfs/dbraw/zinc/85/41/61/320854161.db2.gz IWRRKZPUHWOIRU-UHFFFAOYSA-N 2 1 333.436 1.078 20 0 EDADMP C[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)C1C[NH2+]C1 ZINC000562959431 321083671 /nfs/dbraw/zinc/08/36/71/321083671.db2.gz NTPOUKLMVZAFJF-AWEZNQCLSA-N 2 1 337.489 1.310 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000565167240 321171894 /nfs/dbraw/zinc/17/18/94/321171894.db2.gz XSTJUCQDLYAABB-XYPHTWIQSA-N 2 1 327.419 1.612 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000565167240 321171896 /nfs/dbraw/zinc/17/18/96/321171896.db2.gz XSTJUCQDLYAABB-XYPHTWIQSA-N 2 1 327.419 1.612 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000565670273 321196896 /nfs/dbraw/zinc/19/68/96/321196896.db2.gz INVUMXLCKWISIH-CQSZACIVSA-N 2 1 342.447 1.864 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000567966620 321269126 /nfs/dbraw/zinc/26/91/26/321269126.db2.gz VIGBNGWSBOAESM-CQSZACIVSA-N 2 1 332.448 1.401 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CN1c1ccccc1 ZINC000568499391 321294117 /nfs/dbraw/zinc/29/41/17/321294117.db2.gz PYUJWRUAUFYHFA-XOYOTBSWSA-N 2 1 329.444 1.539 20 0 EDADMP CN(C(=O)Cn1ccnc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000570544864 321346759 /nfs/dbraw/zinc/34/67/59/321346759.db2.gz OJSYYSJBWOOHID-QZTJIDSGSA-N 2 1 347.507 1.679 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571081832 321369912 /nfs/dbraw/zinc/36/99/12/321369912.db2.gz HFWQJFQDPNQUGZ-WZGPROSRSA-N 2 1 345.487 1.780 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571081832 321369914 /nfs/dbraw/zinc/36/99/14/321369914.db2.gz HFWQJFQDPNQUGZ-WZGPROSRSA-N 2 1 345.487 1.780 20 0 EDADMP O=C1NCCN1CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000289348356 444115108 /nfs/dbraw/zinc/11/51/08/444115108.db2.gz FWVBUALBLOCILH-LJQANCHMSA-N 2 1 328.460 1.610 20 0 EDADMP O=C1NCCN1CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000289348356 444115109 /nfs/dbraw/zinc/11/51/09/444115109.db2.gz FWVBUALBLOCILH-LJQANCHMSA-N 2 1 328.460 1.610 20 0 EDADMP O=C1NCCN1CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000289348356 444115110 /nfs/dbraw/zinc/11/51/10/444115110.db2.gz FWVBUALBLOCILH-LJQANCHMSA-N 2 1 328.460 1.610 20 0 EDADMP O=C1NCCN1CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000289348356 444115112 /nfs/dbraw/zinc/11/51/12/444115112.db2.gz FWVBUALBLOCILH-LJQANCHMSA-N 2 1 328.460 1.610 20 0 EDADMP Cc1ccccc1OC[C@H](O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289444803 444145341 /nfs/dbraw/zinc/14/53/41/444145341.db2.gz ORZPMLJJMQSLGX-GOSISDBHSA-N 2 1 337.508 1.550 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000282327678 444148861 /nfs/dbraw/zinc/14/88/61/444148861.db2.gz FNARJBIWZDSXBV-VXNCWWDNSA-N 2 1 345.487 1.985 20 0 EDADMP C[N@@H+](C[C@@H](O)CN1CCC(N2CCc3ccccc32)CC1)C1CC1 ZINC000289495819 444159062 /nfs/dbraw/zinc/15/90/62/444159062.db2.gz ZKTWTYKILHIZKM-LJQANCHMSA-N 2 1 329.488 1.969 20 0 EDADMP CN(C[C@@H](O)C[NH+]1CCC(N2CCc3ccccc32)CC1)C1CC1 ZINC000289495819 444159065 /nfs/dbraw/zinc/15/90/65/444159065.db2.gz ZKTWTYKILHIZKM-LJQANCHMSA-N 2 1 329.488 1.969 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(N2CCc3ccccc32)CC1)C1CC1 ZINC000289495819 444159068 /nfs/dbraw/zinc/15/90/68/444159068.db2.gz ZKTWTYKILHIZKM-LJQANCHMSA-N 2 1 329.488 1.969 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(N2CCc3ccccc32)CC1)C1CC1 ZINC000289495819 444159069 /nfs/dbraw/zinc/15/90/69/444159069.db2.gz ZKTWTYKILHIZKM-LJQANCHMSA-N 2 1 329.488 1.969 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000289828373 444208578 /nfs/dbraw/zinc/20/85/78/444208578.db2.gz BBZADYZRNDOKFU-ZACQAIPSSA-N 2 1 345.491 1.096 20 0 EDADMP CCCN(C(=O)[C@@H](C[NH3+])OC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000289903861 444217705 /nfs/dbraw/zinc/21/77/05/444217705.db2.gz JFTRSFOGIBEKFW-ZWKOTPCHSA-N 2 1 333.476 1.863 20 0 EDADMP COCCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000295749621 444192556 /nfs/dbraw/zinc/19/25/56/444192556.db2.gz NPLBPNFOQMWXHD-BHIYHBOVSA-N 2 1 336.476 1.511 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000289742104 444197354 /nfs/dbraw/zinc/19/73/54/444197354.db2.gz HEUYASCBTCNISM-QZTJIDSGSA-N 2 1 330.476 1.186 20 0 EDADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000305223424 444266218 /nfs/dbraw/zinc/26/62/18/444266218.db2.gz UVVPZUWNGPQHTL-QZTJIDSGSA-N 2 1 333.476 1.327 20 0 EDADMP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000303984229 444238712 /nfs/dbraw/zinc/23/87/12/444238712.db2.gz HPGGTJUKOBKUDA-SJORKVTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000317142946 444314101 /nfs/dbraw/zinc/31/41/01/444314101.db2.gz FNNAMMHSBUTJHG-OAHLLOKOSA-N 2 1 329.466 1.018 20 0 EDADMP Cc1cc(CNC(=O)NCC[N@@H+](C)C2CC2)cc(N2CCCC2)[nH+]1 ZINC000290605536 444300677 /nfs/dbraw/zinc/30/06/77/444300677.db2.gz BATOFIFSIPRTRP-UHFFFAOYSA-N 2 1 331.464 1.884 20 0 EDADMP Cc1cc(CNC(=O)NCC[N@H+](C)C2CC2)cc(N2CCCC2)[nH+]1 ZINC000290605536 444300679 /nfs/dbraw/zinc/30/06/79/444300679.db2.gz BATOFIFSIPRTRP-UHFFFAOYSA-N 2 1 331.464 1.884 20 0 EDADMP Cc1ccc(CNC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)cc1F ZINC000325517304 444366613 /nfs/dbraw/zinc/36/66/13/444366613.db2.gz JIYYPWUWLDLEHK-UHFFFAOYSA-N 2 1 337.439 1.580 20 0 EDADMP COCC[NH2+]C1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000578540089 321792392 /nfs/dbraw/zinc/79/23/92/321792392.db2.gz NXCBMEXQRDNJME-UHFFFAOYSA-N 2 1 331.460 1.666 20 0 EDADMP Cn1cncc1CC[N@H+](C)CCN1CCN(Cc2ccccc2)CC1 ZINC000297785259 444334269 /nfs/dbraw/zinc/33/42/69/444334269.db2.gz WLDPMXCEXRFUKY-UHFFFAOYSA-N 3 1 341.503 1.712 20 0 EDADMP Cn1cncc1CC[N@@H+](C)CCN1CCN(Cc2ccccc2)CC1 ZINC000297785259 444334272 /nfs/dbraw/zinc/33/42/72/444334272.db2.gz WLDPMXCEXRFUKY-UHFFFAOYSA-N 3 1 341.503 1.712 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000298065172 444403578 /nfs/dbraw/zinc/40/35/78/444403578.db2.gz JCWXKVZWAPZYHN-OAHLLOKOSA-N 2 1 343.431 1.654 20 0 EDADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000332035411 444497219 /nfs/dbraw/zinc/49/72/19/444497219.db2.gz ZWBKFGBBEQXIGD-ICUGJSFKSA-N 2 1 337.508 1.445 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000332035984 444497438 /nfs/dbraw/zinc/49/74/38/444497438.db2.gz ULOUJDWFSJEPQI-LSDHHAIUSA-N 2 1 326.485 1.256 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@@H]3CCOC3)CC2)CC1 ZINC000580344701 322040413 /nfs/dbraw/zinc/04/04/13/322040413.db2.gz QBJQDGIYCFFBND-MRXNPFEDSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000580711579 322085930 /nfs/dbraw/zinc/08/59/30/322085930.db2.gz IHJRLZBEKZSPRL-QXAKKESOSA-N 2 1 344.503 1.479 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000580711579 322085931 /nfs/dbraw/zinc/08/59/31/322085931.db2.gz IHJRLZBEKZSPRL-QXAKKESOSA-N 2 1 344.503 1.479 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000580711579 322085932 /nfs/dbraw/zinc/08/59/32/322085932.db2.gz IHJRLZBEKZSPRL-QXAKKESOSA-N 2 1 344.503 1.479 20 0 EDADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000580828742 322100352 /nfs/dbraw/zinc/10/03/52/322100352.db2.gz KBBMGSXBQNRKIS-BPQIPLTHSA-N 2 1 333.476 1.328 20 0 EDADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCN3CCOCC3)CC2)cc1 ZINC000580867251 322104735 /nfs/dbraw/zinc/10/47/35/322104735.db2.gz KFOFUJXVAHBGKI-UHFFFAOYSA-N 2 1 335.467 1.754 20 0 EDADMP CN(C)C(=O)CCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000581200339 322148746 /nfs/dbraw/zinc/14/87/46/322148746.db2.gz DLUPXMLZGCOFJM-UHFFFAOYSA-N 2 1 346.519 1.604 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342129113 444524256 /nfs/dbraw/zinc/52/42/56/444524256.db2.gz NDOUVURBIKBECY-SZMVWBNQSA-N 2 1 331.460 1.508 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342129113 444524262 /nfs/dbraw/zinc/52/42/62/444524262.db2.gz NDOUVURBIKBECY-SZMVWBNQSA-N 2 1 331.460 1.508 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2C)CC1 ZINC000340916641 444574826 /nfs/dbraw/zinc/57/48/26/444574826.db2.gz UCYMTHALDKHFSG-HKUYNNGSSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H](O)C[C@@H]2C)CC1 ZINC000340916641 444574828 /nfs/dbraw/zinc/57/48/28/444574828.db2.gz UCYMTHALDKHFSG-HKUYNNGSSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H](O)C[C@@H]2C)CC1 ZINC000340916641 444574832 /nfs/dbraw/zinc/57/48/32/444574832.db2.gz UCYMTHALDKHFSG-HKUYNNGSSA-N 2 1 345.487 1.484 20 0 EDADMP C[C@@H]1CCCN1C(=O)CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343718252 444542905 /nfs/dbraw/zinc/54/29/05/444542905.db2.gz UAHQINKOXJCPLO-IAGOWNOFSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[NH+]1CCSCC1 ZINC000343730295 444550315 /nfs/dbraw/zinc/55/03/15/444550315.db2.gz XSRFBMFJQDVNNW-MRXNPFEDSA-N 3 1 344.569 1.156 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000338272681 444602936 /nfs/dbraw/zinc/60/29/36/444602936.db2.gz FDGQYJFMHIPMQO-WMLDXEAASA-N 2 1 329.444 1.945 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000338272681 444602939 /nfs/dbraw/zinc/60/29/39/444602939.db2.gz FDGQYJFMHIPMQO-WMLDXEAASA-N 2 1 329.444 1.945 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000338272681 444602943 /nfs/dbraw/zinc/60/29/43/444602943.db2.gz FDGQYJFMHIPMQO-WMLDXEAASA-N 2 1 329.444 1.945 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000338272681 444602945 /nfs/dbraw/zinc/60/29/45/444602945.db2.gz FDGQYJFMHIPMQO-WMLDXEAASA-N 2 1 329.444 1.945 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000338300622 444618622 /nfs/dbraw/zinc/61/86/22/444618622.db2.gz CPFWUCMFLMISDY-HZPDHXFCSA-N 2 1 340.512 1.659 20 0 EDADMP CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338356327 444653196 /nfs/dbraw/zinc/65/31/96/444653196.db2.gz UQYHSTJANYPUQH-SFHVURJKSA-N 2 1 339.480 1.348 20 0 EDADMP CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338356327 444653200 /nfs/dbraw/zinc/65/32/00/444653200.db2.gz UQYHSTJANYPUQH-SFHVURJKSA-N 2 1 339.480 1.348 20 0 EDADMP C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc[nH+]c(N2CCOCC2)n1 ZINC000341073652 444660992 /nfs/dbraw/zinc/66/09/92/444660992.db2.gz SAOMIZPBFBDDMH-MRXNPFEDSA-N 2 1 341.459 2.246 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc[nH+]c(N2CCOCC2)n1 ZINC000341073652 444660996 /nfs/dbraw/zinc/66/09/96/444660996.db2.gz SAOMIZPBFBDDMH-MRXNPFEDSA-N 2 1 341.459 2.246 20 0 EDADMP CC(C)N1CCC[C@@H]([N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000343938358 444680995 /nfs/dbraw/zinc/68/09/95/444680995.db2.gz QFLAQANUAPEGDF-KZNAEPCWSA-N 2 1 336.524 1.344 20 0 EDADMP CC(C)N1CCC[C@@H]([N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000343938358 444680997 /nfs/dbraw/zinc/68/09/97/444680997.db2.gz QFLAQANUAPEGDF-KZNAEPCWSA-N 2 1 336.524 1.344 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000342349447 444647766 /nfs/dbraw/zinc/64/77/66/444647766.db2.gz RDSRVZRBMGICBZ-NVXWUHKLSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000342349447 444647769 /nfs/dbraw/zinc/64/77/69/444647769.db2.gz RDSRVZRBMGICBZ-NVXWUHKLSA-N 2 1 338.496 1.221 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000333870419 444704790 /nfs/dbraw/zinc/70/47/90/444704790.db2.gz BOLFMNLRMQNDPW-GVDBMIGSSA-N 2 1 343.475 1.610 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)C1 ZINC000344008461 444723987 /nfs/dbraw/zinc/72/39/87/444723987.db2.gz JNJQBPAQNCAIIT-HZPDHXFCSA-N 2 1 343.537 1.383 20 0 EDADMP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000344049528 444749961 /nfs/dbraw/zinc/74/99/61/444749961.db2.gz ONIFVWFKIJLGFA-DZGCQCFKSA-N 2 1 332.835 1.785 20 0 EDADMP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)[C@@H]1C ZINC000344054541 444753571 /nfs/dbraw/zinc/75/35/71/444753571.db2.gz JCUREKSRPYDARF-KURKYZTESA-N 2 1 340.556 1.743 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000344121402 444792645 /nfs/dbraw/zinc/79/26/45/444792645.db2.gz CRGZJWFCNVEGOD-MJGOQNOKSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000344121402 444792647 /nfs/dbraw/zinc/79/26/47/444792647.db2.gz CRGZJWFCNVEGOD-MJGOQNOKSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000344121402 444792649 /nfs/dbraw/zinc/79/26/49/444792649.db2.gz CRGZJWFCNVEGOD-MJGOQNOKSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000344121402 444792652 /nfs/dbraw/zinc/79/26/52/444792652.db2.gz CRGZJWFCNVEGOD-MJGOQNOKSA-N 2 1 343.471 1.630 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C ZINC000336857638 444805647 /nfs/dbraw/zinc/80/56/47/444805647.db2.gz UCJWJVXANLRGOC-PMPSAXMXSA-N 2 1 331.526 1.463 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C ZINC000336857638 444805649 /nfs/dbraw/zinc/80/56/49/444805649.db2.gz UCJWJVXANLRGOC-PMPSAXMXSA-N 2 1 331.526 1.463 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C ZINC000336857638 444805653 /nfs/dbraw/zinc/80/56/53/444805653.db2.gz UCJWJVXANLRGOC-PMPSAXMXSA-N 2 1 331.526 1.463 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000342716191 444830942 /nfs/dbraw/zinc/83/09/42/444830942.db2.gz VABJDAFPUUGIKR-MAUKXSAKSA-N 2 1 331.460 1.523 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000342766560 444855822 /nfs/dbraw/zinc/85/58/22/444855822.db2.gz VYSJULDYSBWYQO-GOEBONIOSA-N 2 1 344.459 1.322 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(C(C)C)cn1 ZINC000336957044 444873958 /nfs/dbraw/zinc/87/39/58/444873958.db2.gz WVMIJBOJRKUDDH-INIZCTEOSA-N 2 1 335.496 1.952 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000330193446 444881483 /nfs/dbraw/zinc/88/14/83/444881483.db2.gz OEYWUSRJYGQPHR-INIZCTEOSA-N 2 1 334.464 1.577 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000344293751 444884197 /nfs/dbraw/zinc/88/41/97/444884197.db2.gz PECNRWXFFOXDMZ-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000344548958 445052079 /nfs/dbraw/zinc/05/20/79/445052079.db2.gz OHSJPXMCIFDTNK-GVDBMIGSSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000341899681 445060579 /nfs/dbraw/zinc/06/05/79/445060579.db2.gz JDVJFQLYZXFBHW-ZJPYXAASSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000343105671 445070275 /nfs/dbraw/zinc/07/02/75/445070275.db2.gz HWFNWUPKQSIMJR-NZSAHSFTSA-N 2 1 345.487 1.591 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000343105671 445070278 /nfs/dbraw/zinc/07/02/78/445070278.db2.gz HWFNWUPKQSIMJR-NZSAHSFTSA-N 2 1 345.487 1.591 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000343105671 445070283 /nfs/dbraw/zinc/07/02/83/445070283.db2.gz HWFNWUPKQSIMJR-NZSAHSFTSA-N 2 1 345.487 1.591 20 0 EDADMP CC[C@H](O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339111536 445037520 /nfs/dbraw/zinc/03/75/20/445037520.db2.gz YMMSZSUWGFOKNC-IHRRRGAJSA-N 2 1 325.432 1.162 20 0 EDADMP CC[C@H](O)C[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339111536 445037522 /nfs/dbraw/zinc/03/75/22/445037522.db2.gz YMMSZSUWGFOKNC-IHRRRGAJSA-N 2 1 325.432 1.162 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000337354568 445044892 /nfs/dbraw/zinc/04/48/92/445044892.db2.gz AOAGUAFOROPSBP-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000337354568 445044896 /nfs/dbraw/zinc/04/48/96/445044896.db2.gz AOAGUAFOROPSBP-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000337354568 445044900 /nfs/dbraw/zinc/04/49/00/445044900.db2.gz AOAGUAFOROPSBP-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000346155175 445206884 /nfs/dbraw/zinc/20/68/84/445206884.db2.gz RZYPMRKUTXSPAC-QGZVFWFLSA-N 2 1 344.503 1.600 20 0 EDADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173144 445207236 /nfs/dbraw/zinc/20/72/36/445207236.db2.gz CIZYYLGAPUVVKA-PBWTXFEYSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173144 445207238 /nfs/dbraw/zinc/20/72/38/445207238.db2.gz CIZYYLGAPUVVKA-PBWTXFEYSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173144 445207240 /nfs/dbraw/zinc/20/72/40/445207240.db2.gz CIZYYLGAPUVVKA-PBWTXFEYSA-N 2 1 349.519 1.819 20 0 EDADMP Cn1nccc1[C@H]1OCC[C@@H]1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000343407667 445217009 /nfs/dbraw/zinc/21/70/09/445217009.db2.gz PTVVCKCANMKBJI-MJGOQNOKSA-N 2 1 349.523 1.361 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CCC[N@H+]1C ZINC000345745560 445198253 /nfs/dbraw/zinc/19/82/53/445198253.db2.gz KYCAYURIKQVLEP-PMPSAXMXSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)C1 ZINC000347047083 445230374 /nfs/dbraw/zinc/23/03/74/445230374.db2.gz QWNXSAIJZJNQMZ-JYJNAYRXSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000347047083 445230376 /nfs/dbraw/zinc/23/03/76/445230376.db2.gz QWNXSAIJZJNQMZ-JYJNAYRXSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000347047083 445230377 /nfs/dbraw/zinc/23/03/77/445230377.db2.gz QWNXSAIJZJNQMZ-JYJNAYRXSA-N 2 1 326.485 1.269 20 0 EDADMP CCC[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000347879266 445253036 /nfs/dbraw/zinc/25/30/36/445253036.db2.gz UGQCJWUATDASQF-KBAYOESNSA-N 2 1 349.523 1.992 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000347890735 445253785 /nfs/dbraw/zinc/25/37/85/445253785.db2.gz AVMYCQXIVGQXGG-MAUKXSAKSA-N 2 1 335.496 1.602 20 0 EDADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000347890735 445253790 /nfs/dbraw/zinc/25/37/90/445253790.db2.gz AVMYCQXIVGQXGG-MAUKXSAKSA-N 2 1 335.496 1.602 20 0 EDADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000347890735 445253794 /nfs/dbraw/zinc/25/37/94/445253794.db2.gz AVMYCQXIVGQXGG-MAUKXSAKSA-N 2 1 335.496 1.602 20 0 EDADMP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000348105164 445269487 /nfs/dbraw/zinc/26/94/87/445269487.db2.gz DYAPZVYOQWLEMV-BHYGNILZSA-N 2 1 338.496 1.364 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC2CC([NH+]3CCCCC3)C2)[N@@H+](C)C1 ZINC000348434594 445289769 /nfs/dbraw/zinc/28/97/69/445289769.db2.gz JZQGWDAFKYYQGL-BHUNQDJPSA-N 2 1 338.496 1.364 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ncncc1Cl ZINC000348631746 445339753 /nfs/dbraw/zinc/33/97/53/445339753.db2.gz HQBPIBMXJJYEGS-ZDUSSCGKSA-N 2 1 339.871 1.618 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000351857434 445344965 /nfs/dbraw/zinc/34/49/65/445344965.db2.gz BGRWLHPWVSZYBM-HIFRSBDPSA-N 2 1 335.448 1.032 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000351857434 445344966 /nfs/dbraw/zinc/34/49/66/445344966.db2.gz BGRWLHPWVSZYBM-HIFRSBDPSA-N 2 1 335.448 1.032 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000351864283 445347135 /nfs/dbraw/zinc/34/71/35/445347135.db2.gz XIERBBMGRUCCQS-DZKIICNBSA-N 2 1 328.460 1.884 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000351864283 445347138 /nfs/dbraw/zinc/34/71/38/445347138.db2.gz XIERBBMGRUCCQS-DZKIICNBSA-N 2 1 328.460 1.884 20 0 EDADMP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864284 445347164 /nfs/dbraw/zinc/34/71/64/445347164.db2.gz XIERBBMGRUCCQS-LZWOXQAQSA-N 2 1 328.460 1.884 20 0 EDADMP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864284 445347166 /nfs/dbraw/zinc/34/71/66/445347166.db2.gz XIERBBMGRUCCQS-LZWOXQAQSA-N 2 1 328.460 1.884 20 0 EDADMP CC(C)[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCS1 ZINC000362385438 445355989 /nfs/dbraw/zinc/35/59/89/445355989.db2.gz ZGYIGRLSZNENGE-INIZCTEOSA-N 2 1 325.522 1.803 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCS1 ZINC000362385438 445355991 /nfs/dbraw/zinc/35/59/91/445355991.db2.gz ZGYIGRLSZNENGE-INIZCTEOSA-N 2 1 325.522 1.803 20 0 EDADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000348756965 445363933 /nfs/dbraw/zinc/36/39/33/445363933.db2.gz RNCGFGWBZCPJLO-IRXDYDNUSA-N 2 1 333.480 1.162 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000348756965 445363936 /nfs/dbraw/zinc/36/39/36/445363936.db2.gz RNCGFGWBZCPJLO-IRXDYDNUSA-N 3 1 333.480 1.162 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000348756965 445363940 /nfs/dbraw/zinc/36/39/40/445363940.db2.gz RNCGFGWBZCPJLO-IRXDYDNUSA-N 3 1 333.480 1.162 20 0 EDADMP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(Cl)cn1 ZINC000359673233 445367889 /nfs/dbraw/zinc/36/78/89/445367889.db2.gz LAPIHMMITMTGDW-OAHLLOKOSA-N 2 1 340.899 1.776 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000351968871 445407359 /nfs/dbraw/zinc/40/73/59/445407359.db2.gz SWNVCYPZMFAZFE-GOEBONIOSA-N 2 1 326.485 1.079 20 0 EDADMP COC(=O)c1ccoc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000348848318 445413530 /nfs/dbraw/zinc/41/35/30/445413530.db2.gz NFENZTHDWZAXPN-UHFFFAOYSA-N 2 1 349.475 1.916 20 0 EDADMP COCC[C@@H](c1ccccc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354888176 445431582 /nfs/dbraw/zinc/43/15/82/445431582.db2.gz DEZSRVOSNAVXRQ-IBGZPJMESA-N 2 1 348.487 1.923 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1)C(C)C ZINC000359703064 445383352 /nfs/dbraw/zinc/38/33/52/445383352.db2.gz ITBZXEFFSMLASH-MRXNPFEDSA-N 2 1 340.512 1.214 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000359902508 445480183 /nfs/dbraw/zinc/48/01/83/445480183.db2.gz AZORSDANCPRIMT-HOTGVXAUSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000359902508 445480190 /nfs/dbraw/zinc/48/01/90/445480190.db2.gz AZORSDANCPRIMT-HOTGVXAUSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000359902509 445480600 /nfs/dbraw/zinc/48/06/00/445480600.db2.gz AZORSDANCPRIMT-HZPDHXFCSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000359902509 445480604 /nfs/dbraw/zinc/48/06/04/445480604.db2.gz AZORSDANCPRIMT-HZPDHXFCSA-N 2 1 328.501 1.205 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000362655837 445481784 /nfs/dbraw/zinc/48/17/84/445481784.db2.gz ASFHXBICOAMFON-GVDBMIGSSA-N 2 1 340.512 1.325 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362562415 445440489 /nfs/dbraw/zinc/44/04/89/445440489.db2.gz SPWXPRSHTVPSAC-HUUCEWRRSA-N 2 1 333.480 1.871 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000362565238 445441993 /nfs/dbraw/zinc/44/19/93/445441993.db2.gz SGHXLCLEEYMWNZ-CQSZACIVSA-N 2 1 331.464 1.577 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000348924049 445442874 /nfs/dbraw/zinc/44/28/74/445442874.db2.gz XNCUITWEMUDQTH-SFHVURJKSA-N 2 1 331.460 1.872 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C(=O)C1CC[NH+](C)CC1 ZINC000348930719 445444727 /nfs/dbraw/zinc/44/47/27/445444727.db2.gz LNWDPHYMWJTYEJ-AEFFLSMTSA-N 2 1 347.507 1.603 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)N1CCOCC1 ZINC000355454185 445461301 /nfs/dbraw/zinc/46/13/01/445461301.db2.gz VOOBLCUZYIIWES-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000355454185 445461304 /nfs/dbraw/zinc/46/13/04/445461304.db2.gz VOOBLCUZYIIWES-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000355514317 445465963 /nfs/dbraw/zinc/46/59/63/445465963.db2.gz CPDDDSYVYIIAQR-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)C1 ZINC000355514317 445465965 /nfs/dbraw/zinc/46/59/65/445465965.db2.gz CPDDDSYVYIIAQR-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)C1 ZINC000355514317 445465968 /nfs/dbraw/zinc/46/59/68/445465968.db2.gz CPDDDSYVYIIAQR-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP CN(CC[NH+]1CCCC1)CC1(C[N@H+](C)CCN2CCCC2)COC1 ZINC000360009403 445526074 /nfs/dbraw/zinc/52/60/74/445526074.db2.gz DXCDPEGFUQEQBD-UHFFFAOYSA-N 2 1 338.540 1.058 20 0 EDADMP CN(CC[NH+]1CCCC1)CC1(C[N@@H+](C)CCN2CCCC2)COC1 ZINC000360009403 445526079 /nfs/dbraw/zinc/52/60/79/445526079.db2.gz DXCDPEGFUQEQBD-UHFFFAOYSA-N 2 1 338.540 1.058 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000349057342 445490670 /nfs/dbraw/zinc/49/06/70/445490670.db2.gz NAJHUVXDFJWXNW-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000352116269 445502553 /nfs/dbraw/zinc/50/25/53/445502553.db2.gz UPQSNQGNNVKWHY-SIXWZSSISA-N 2 1 338.492 1.885 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000352116269 445502557 /nfs/dbraw/zinc/50/25/57/445502557.db2.gz UPQSNQGNNVKWHY-SIXWZSSISA-N 2 1 338.492 1.885 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000352116269 445502561 /nfs/dbraw/zinc/50/25/61/445502561.db2.gz UPQSNQGNNVKWHY-SIXWZSSISA-N 2 1 338.492 1.885 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000352116269 445502566 /nfs/dbraw/zinc/50/25/66/445502566.db2.gz UPQSNQGNNVKWHY-SIXWZSSISA-N 2 1 338.492 1.885 20 0 EDADMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(OC)n3)cn2)CC1 ZINC000359957697 445503532 /nfs/dbraw/zinc/50/35/32/445503532.db2.gz JBFOIPMLTBTZOB-UHFFFAOYSA-N 2 1 341.459 1.917 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000360121665 445578714 /nfs/dbraw/zinc/57/87/14/445578714.db2.gz AHMYEJYWILRJSK-CVEARBPZSA-N 2 1 328.501 1.467 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000360125379 445581807 /nfs/dbraw/zinc/58/18/07/445581807.db2.gz OULVAAPCIJWYMF-INIZCTEOSA-N 2 1 342.528 1.715 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000360125379 445581810 /nfs/dbraw/zinc/58/18/10/445581810.db2.gz OULVAAPCIJWYMF-INIZCTEOSA-N 2 1 342.528 1.715 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]([NH+](C)CCO)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000356046215 445588659 /nfs/dbraw/zinc/58/86/59/445588659.db2.gz MQOGLKWUGMLBDT-JZXOWHBKSA-N 2 1 333.476 1.420 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000360047795 445545205 /nfs/dbraw/zinc/54/52/05/445545205.db2.gz ZCJPVCAYHOTEIY-CQSZACIVSA-N 2 1 343.493 1.677 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]([N@H+](C)CCO)[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000356046215 445588661 /nfs/dbraw/zinc/58/86/61/445588661.db2.gz MQOGLKWUGMLBDT-JZXOWHBKSA-N 2 1 333.476 1.420 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCO)[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000356046215 445588664 /nfs/dbraw/zinc/58/86/64/445588664.db2.gz MQOGLKWUGMLBDT-JZXOWHBKSA-N 2 1 333.476 1.420 20 0 EDADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000353433198 445599231 /nfs/dbraw/zinc/59/92/31/445599231.db2.gz PEIBTLNZENSGPY-QZTJIDSGSA-N 2 1 338.540 1.782 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000360165067 445605761 /nfs/dbraw/zinc/60/57/61/445605761.db2.gz UNBRFQCWMIWAHD-CVEARBPZSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000360165067 445605764 /nfs/dbraw/zinc/60/57/64/445605764.db2.gz UNBRFQCWMIWAHD-CVEARBPZSA-N 2 1 340.512 1.071 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000353462437 445613162 /nfs/dbraw/zinc/61/31/62/445613162.db2.gz SLHRXIOZGXXMQT-GOSISDBHSA-N 2 1 336.524 1.345 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000353462437 445613164 /nfs/dbraw/zinc/61/31/64/445613164.db2.gz SLHRXIOZGXXMQT-GOSISDBHSA-N 2 1 336.524 1.345 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)[NH+](C)C ZINC000349593162 445620360 /nfs/dbraw/zinc/62/03/60/445620360.db2.gz YUDVDYGRZAWQKY-QGZVFWFLSA-N 2 1 346.475 1.788 20 0 EDADMP C[C@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000356050886 445591168 /nfs/dbraw/zinc/59/11/68/445591168.db2.gz SUGHBCALOFIHNI-QFBILLFUSA-N 2 1 345.487 1.810 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1)N1CC[NH+](C)CC1 ZINC000363011415 445647915 /nfs/dbraw/zinc/64/79/15/445647915.db2.gz IWELUMMARPFQQQ-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP Cc1ccc(CCCN2CCN(c3nccn(C)c3=O)CC2)cn1 ZINC000353619676 445678839 /nfs/dbraw/zinc/67/88/39/445678839.db2.gz CZRNVWJSEXASED-UHFFFAOYSA-N 2 1 327.432 1.239 20 0 EDADMP COc1cccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1OC ZINC000353673108 445701567 /nfs/dbraw/zinc/70/15/67/445701567.db2.gz OXMDKZZSFRKNCD-UHFFFAOYSA-N 2 1 349.475 1.786 20 0 EDADMP CNC(=O)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000363218381 445725916 /nfs/dbraw/zinc/72/59/16/445725916.db2.gz IAZCVUGAKVZQSL-GOSISDBHSA-N 2 1 330.476 1.258 20 0 EDADMP CNC(=O)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000363218381 445725922 /nfs/dbraw/zinc/72/59/22/445725922.db2.gz IAZCVUGAKVZQSL-GOSISDBHSA-N 2 1 330.476 1.258 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000349934716 445726359 /nfs/dbraw/zinc/72/63/59/445726359.db2.gz OPILCRKHUJMIIG-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000353736541 445732426 /nfs/dbraw/zinc/73/24/26/445732426.db2.gz KSSCAPPWKWTJHO-OAHLLOKOSA-N 2 1 331.460 1.215 20 0 EDADMP C[C@H](CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000358722425 445741914 /nfs/dbraw/zinc/74/19/14/445741914.db2.gz ODLUVBQVMGVOJD-APWZRJJASA-N 2 1 348.491 1.263 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000353760311 445742350 /nfs/dbraw/zinc/74/23/50/445742350.db2.gz IVHMMYZFMGQWFZ-UHFFFAOYSA-N 2 1 334.464 1.767 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000361094290 445749044 /nfs/dbraw/zinc/74/90/44/445749044.db2.gz FYWZZLGSDGVOHM-PEZLKRJXSA-N 2 1 337.508 1.625 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000361094290 445749048 /nfs/dbraw/zinc/74/90/48/445749048.db2.gz FYWZZLGSDGVOHM-PEZLKRJXSA-N 2 1 337.508 1.625 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(-c2cc[nH]n2)cc1 ZINC000363483407 445823917 /nfs/dbraw/zinc/82/39/17/445823917.db2.gz HWIBNAFHKKOYMX-UHFFFAOYSA-N 2 1 342.447 1.413 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000363389261 445783559 /nfs/dbraw/zinc/78/35/59/445783559.db2.gz IMSARHJWNQPUNY-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000363456293 445812678 /nfs/dbraw/zinc/81/26/78/445812678.db2.gz LJZIFOMMIQZSRU-UYAOXDASSA-N 2 1 331.504 1.988 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)[NH+](C)C ZINC000364548002 445931870 /nfs/dbraw/zinc/93/18/70/445931870.db2.gz SRBLGAGGULNKLN-QBPKDAKJSA-N 2 1 325.497 1.578 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000361774407 445933627 /nfs/dbraw/zinc/93/36/27/445933627.db2.gz SGOCQYMDGHMYKE-NVXWUHKLSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(Cc3cn(-c4cc[nH+]cc4)nc3C)[C@@H]2C1 ZINC000354144258 445941863 /nfs/dbraw/zinc/94/18/63/445941863.db2.gz ZCYOVCKYBMZZDR-RTBURBONSA-N 2 1 341.459 1.871 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])CCC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000373057241 445998741 /nfs/dbraw/zinc/99/87/41/445998741.db2.gz JXWAMCVYNHQQRO-OIISXLGYSA-N 2 1 346.475 1.091 20 0 EDADMP COC1(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CCOCC1 ZINC000372967470 445948521 /nfs/dbraw/zinc/94/85/21/445948521.db2.gz NLOIMGKGCWTRBC-IRXDYDNUSA-N 2 1 325.497 1.140 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000356786359 446018961 /nfs/dbraw/zinc/01/89/61/446018961.db2.gz VZYHAWFOJPIULM-HKUYNNGSSA-N 2 1 346.519 1.820 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000356786359 446018963 /nfs/dbraw/zinc/01/89/63/446018963.db2.gz VZYHAWFOJPIULM-HKUYNNGSSA-N 2 1 346.519 1.820 20 0 EDADMP O[C@]1(C[NH2+]Cc2c[nH]c3nccnc23)CC[N@H+](Cc2ccccc2)C1 ZINC000583255925 326035251 /nfs/dbraw/zinc/03/52/51/326035251.db2.gz JHBZDZSNFBIQTR-IBGZPJMESA-N 2 1 337.427 1.636 20 0 EDADMP O[C@]1(C[NH2+]Cc2c[nH]c3nccnc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000583255925 326035253 /nfs/dbraw/zinc/03/52/53/326035253.db2.gz JHBZDZSNFBIQTR-IBGZPJMESA-N 2 1 337.427 1.636 20 0 EDADMP COCC1(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC000583430304 326070936 /nfs/dbraw/zinc/07/09/36/326070936.db2.gz HHTQQDBTEFWZPR-OAHLLOKOSA-N 2 1 338.496 1.319 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000583930326 326167678 /nfs/dbraw/zinc/16/76/78/326167678.db2.gz ZHYVCYUBFMZAIC-SFHVURJKSA-N 2 1 349.519 1.659 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000351476520 446076706 /nfs/dbraw/zinc/07/67/06/446076706.db2.gz KYUTZKOMCIZPPG-RRFJBIMHSA-N 2 1 330.432 1.621 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000351476520 446076709 /nfs/dbraw/zinc/07/67/09/446076709.db2.gz KYUTZKOMCIZPPG-RRFJBIMHSA-N 2 1 330.432 1.621 20 0 EDADMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000369648173 446140320 /nfs/dbraw/zinc/14/03/20/446140320.db2.gz NTWTUOOGAYRBEZ-NWDGAFQWSA-N 2 1 330.354 1.541 20 0 EDADMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000369648173 446140323 /nfs/dbraw/zinc/14/03/23/446140323.db2.gz NTWTUOOGAYRBEZ-NWDGAFQWSA-N 2 1 330.354 1.541 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NCC2=CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000373223875 446104994 /nfs/dbraw/zinc/10/49/94/446104994.db2.gz MFDXZGWESGHVGR-ZWKOTPCHSA-N 2 1 328.460 1.993 20 0 EDADMP C[NH+]1CC[C@H](NC(=O)NCC2=CC[N@H+](C)CC2)[C@H]1c1ccccc1 ZINC000373223875 446104997 /nfs/dbraw/zinc/10/49/97/446104997.db2.gz MFDXZGWESGHVGR-ZWKOTPCHSA-N 2 1 328.460 1.993 20 0 EDADMP C[NH+]1CC[C@H](NC(=O)NCC2=CC[N@@H+](C)CC2)[C@H]1c1ccccc1 ZINC000373223875 446105003 /nfs/dbraw/zinc/10/50/03/446105003.db2.gz MFDXZGWESGHVGR-ZWKOTPCHSA-N 2 1 328.460 1.993 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000361955817 446105925 /nfs/dbraw/zinc/10/59/25/446105925.db2.gz XNBMMUXXZSJCAQ-QGZVFWFLSA-N 2 1 333.436 1.282 20 0 EDADMP CCCOc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351502053 446107583 /nfs/dbraw/zinc/10/75/83/446107583.db2.gz YXMJAMAFAIAQDQ-SZMVWBNQSA-N 2 1 331.460 1.761 20 0 EDADMP CCCOc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351502053 446107584 /nfs/dbraw/zinc/10/75/84/446107584.db2.gz YXMJAMAFAIAQDQ-SZMVWBNQSA-N 2 1 331.460 1.761 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@@H]3CC4(CCC4)C(=O)O3)C2)CC1 ZINC000365279444 446123547 /nfs/dbraw/zinc/12/35/47/446123547.db2.gz YJULFNAFXNVFPJ-IRXDYDNUSA-N 2 1 335.492 1.432 20 0 EDADMP C[N@@H+](C[C@H](O)CN1CCC[C@@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521348 446124125 /nfs/dbraw/zinc/12/41/25/446124125.db2.gz UHILYLGJUWYYHP-LPHOPBHVSA-N 2 1 345.487 1.584 20 0 EDADMP CN(C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521348 446124128 /nfs/dbraw/zinc/12/41/28/446124128.db2.gz UHILYLGJUWYYHP-LPHOPBHVSA-N 2 1 345.487 1.584 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521348 446124133 /nfs/dbraw/zinc/12/41/33/446124133.db2.gz UHILYLGJUWYYHP-LPHOPBHVSA-N 2 1 345.487 1.584 20 0 EDADMP CN(CCOCC(F)F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000365292543 446130256 /nfs/dbraw/zinc/13/02/56/446130256.db2.gz KMYFWCMKZALVND-QGZVFWFLSA-N 2 1 328.403 1.837 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000365348813 446161605 /nfs/dbraw/zinc/16/16/05/446161605.db2.gz LNGBBZCTAQKMQL-SFHVURJKSA-N 2 1 349.523 1.035 20 0 EDADMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000370269805 446206367 /nfs/dbraw/zinc/20/63/67/446206367.db2.gz WHNHHEHBNYQIFJ-WDEREUQCSA-N 2 1 347.394 1.815 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H]1C[NH+]1CCC[C@H]1CO ZINC000370300124 446220708 /nfs/dbraw/zinc/22/07/08/446220708.db2.gz NJEGWTSKKPQAFO-ULQDDVLXSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO ZINC000370300124 446220712 /nfs/dbraw/zinc/22/07/12/446220712.db2.gz NJEGWTSKKPQAFO-ULQDDVLXSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000370300124 446220716 /nfs/dbraw/zinc/22/07/16/446220716.db2.gz NJEGWTSKKPQAFO-ULQDDVLXSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359457252 446233564 /nfs/dbraw/zinc/23/35/64/446233564.db2.gz IURMRKRUOGAQDR-KDURUIRLSA-N 3 1 328.504 1.870 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359457252 446233567 /nfs/dbraw/zinc/23/35/67/446233567.db2.gz IURMRKRUOGAQDR-KDURUIRLSA-N 3 1 328.504 1.870 20 0 EDADMP C[NH+](C)CCOc1cnccc1CNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000365626578 446279016 /nfs/dbraw/zinc/27/90/16/446279016.db2.gz XSJNRJLKDJXJHV-DLBZAZTESA-N 2 1 346.475 1.513 20 0 EDADMP CCOCC[C@@H](O)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000365639124 446283847 /nfs/dbraw/zinc/28/38/47/446283847.db2.gz XPTGMQDDDAXZKE-QGZVFWFLSA-N 2 1 336.480 1.782 20 0 EDADMP CCOCC[C@@H](O)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000365639124 446283850 /nfs/dbraw/zinc/28/38/50/446283850.db2.gz XPTGMQDDDAXZKE-QGZVFWFLSA-N 2 1 336.480 1.782 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000365660161 446292029 /nfs/dbraw/zinc/29/20/29/446292029.db2.gz FHHIKBSRKSRJJK-YJBOKZPZSA-N 2 1 343.487 1.816 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCCO1 ZINC000365660161 446292034 /nfs/dbraw/zinc/29/20/34/446292034.db2.gz FHHIKBSRKSRJJK-YJBOKZPZSA-N 2 1 343.487 1.816 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCCO1 ZINC000365660161 446292037 /nfs/dbraw/zinc/29/20/37/446292037.db2.gz FHHIKBSRKSRJJK-YJBOKZPZSA-N 2 1 343.487 1.816 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000365710407 446310410 /nfs/dbraw/zinc/31/04/10/446310410.db2.gz IIHVIDMETGHHPQ-BZSNNMDCSA-N 2 1 328.497 1.597 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000365710407 446310413 /nfs/dbraw/zinc/31/04/13/446310413.db2.gz IIHVIDMETGHHPQ-BZSNNMDCSA-N 2 1 328.497 1.597 20 0 EDADMP C[N@@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C2(CCCCC2)C1 ZINC000359627934 446327129 /nfs/dbraw/zinc/32/71/29/446327129.db2.gz DBYGBYSXSSXOSH-UHFFFAOYSA-N 2 1 337.508 1.966 20 0 EDADMP C[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C2(CCCCC2)C1 ZINC000359627934 446327134 /nfs/dbraw/zinc/32/71/34/446327134.db2.gz DBYGBYSXSSXOSH-UHFFFAOYSA-N 2 1 337.508 1.966 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000359637688 446331192 /nfs/dbraw/zinc/33/11/92/446331192.db2.gz RQSDTUQERSCKEO-GDBMZVCRSA-N 2 1 328.526 1.597 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2Cc2ccccn2)CC[N@H+]1C ZINC000365765792 446333761 /nfs/dbraw/zinc/33/37/61/446333761.db2.gz FPCMBZDUAZDKIJ-NXHRZFHOSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC[N@@H+]1C ZINC000365765792 446333763 /nfs/dbraw/zinc/33/37/63/446333763.db2.gz FPCMBZDUAZDKIJ-NXHRZFHOSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC[N@H+]1C ZINC000365765792 446333764 /nfs/dbraw/zinc/33/37/64/446333764.db2.gz FPCMBZDUAZDKIJ-NXHRZFHOSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC[NH+]1C ZINC000365765792 446333766 /nfs/dbraw/zinc/33/37/66/446333766.db2.gz FPCMBZDUAZDKIJ-NXHRZFHOSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC[NH+]1C ZINC000365765792 446333768 /nfs/dbraw/zinc/33/37/68/446333768.db2.gz FPCMBZDUAZDKIJ-NXHRZFHOSA-N 2 1 330.476 1.987 20 0 EDADMP [NH3+]C[C@H](NC(=O)NCC[N@@H+]1CCc2sccc2C1)C1CCCC1 ZINC000417274312 446337697 /nfs/dbraw/zinc/33/76/97/446337697.db2.gz UTIGDMJEVSTDDA-HNNXBMFYSA-N 2 1 336.505 1.923 20 0 EDADMP [NH3+]C[C@H](NC(=O)NCC[N@H+]1CCc2sccc2C1)C1CCCC1 ZINC000417274312 446337699 /nfs/dbraw/zinc/33/76/99/446337699.db2.gz UTIGDMJEVSTDDA-HNNXBMFYSA-N 2 1 336.505 1.923 20 0 EDADMP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)CC1 ZINC000370587521 446344241 /nfs/dbraw/zinc/34/42/41/446344241.db2.gz IPPQKSUAVWFMPX-LPHOPBHVSA-N 2 1 347.507 1.651 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417436402 446351708 /nfs/dbraw/zinc/35/17/08/446351708.db2.gz DRUKFNKZQNZSDC-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)N(C)[C@@H](C)C[NH3+])c1ccccc1 ZINC000417515927 446359527 /nfs/dbraw/zinc/35/95/27/446359527.db2.gz MGOIDYVLVIIWRP-DOTOQJQBSA-N 2 1 336.480 1.685 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H]1c1cccs1 ZINC000417731069 446371701 /nfs/dbraw/zinc/37/17/01/446371701.db2.gz FGTZJXVKQSBVSP-MPTYRVRUSA-N 2 1 348.516 1.992 20 0 EDADMP C[N@H+](CCNC(=O)N1CC[NH2+]C[C@](C)(F)C1)Cc1ccc(F)cc1 ZINC000417828592 446374306 /nfs/dbraw/zinc/37/43/06/446374306.db2.gz QNSJPKCMAQBDPK-KRWDZBQOSA-N 2 1 340.418 1.601 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[NH2+]C[C@](C)(F)C1)Cc1ccc(F)cc1 ZINC000417828592 446374308 /nfs/dbraw/zinc/37/43/08/446374308.db2.gz QNSJPKCMAQBDPK-KRWDZBQOSA-N 2 1 340.418 1.601 20 0 EDADMP CC[C@@H](NC(=O)NCC1C[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417891269 446376895 /nfs/dbraw/zinc/37/68/95/446376895.db2.gz LGTQMUYBLXNVTI-QZTJIDSGSA-N 2 1 346.475 1.185 20 0 EDADMP CC[C@@H](NC(=O)NCC1C[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417891269 446376900 /nfs/dbraw/zinc/37/69/00/446376900.db2.gz LGTQMUYBLXNVTI-QZTJIDSGSA-N 2 1 346.475 1.185 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000417908619 446383111 /nfs/dbraw/zinc/38/31/11/446383111.db2.gz GTOZXEPLSJVMHN-KURKYZTESA-N 2 1 336.524 1.995 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000417933930 446390255 /nfs/dbraw/zinc/39/02/55/446390255.db2.gz FBOCBPCRESZKRS-XMTFNYHQSA-N 2 1 328.460 1.968 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418074672 446432569 /nfs/dbraw/zinc/43/25/69/446432569.db2.gz OBBRLYHZJHRBBH-AEFFLSMTSA-N 2 1 348.491 1.704 20 0 EDADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000431790339 446433534 /nfs/dbraw/zinc/43/35/34/446433534.db2.gz XEMXFWNUDLUREC-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP COc1cc2[nH+]c(N3CC[C@H]4C[NH2+]C[C@@H]4C3)nc(N)c2cc1OC ZINC000420252166 446433948 /nfs/dbraw/zinc/43/39/48/446433948.db2.gz ANQAJSSZRPMOAQ-WDEREUQCSA-N 2 1 329.404 1.275 20 0 EDADMP COCC[C@]1(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000370778570 446437082 /nfs/dbraw/zinc/43/70/82/446437082.db2.gz GKPWGWZQMKZNAR-OXQOHEQNSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@H]1C[NH2+]CCN1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000418133036 446441994 /nfs/dbraw/zinc/44/19/94/446441994.db2.gz FNMOPFIMSFTSJY-MAUKXSAKSA-N 2 1 330.476 1.900 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CCCO[C@@H](C[NH3+])C2)n1 ZINC000420288148 446453085 /nfs/dbraw/zinc/45/30/85/446453085.db2.gz SCFOAYNXSZMANW-ZOBUZTSGSA-N 2 1 349.479 1.646 20 0 EDADMP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423191483 446449023 /nfs/dbraw/zinc/44/90/23/446449023.db2.gz UFLXZDHEWHEJIL-QUCCMNQESA-N 3 1 330.520 1.782 20 0 EDADMP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423191483 446449025 /nfs/dbraw/zinc/44/90/25/446449025.db2.gz UFLXZDHEWHEJIL-QUCCMNQESA-N 2 1 330.520 1.782 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420284501 446449775 /nfs/dbraw/zinc/44/97/75/446449775.db2.gz CYBYYGGDWMEQMY-JKIFEVAISA-N 2 1 347.459 1.537 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420284501 446449779 /nfs/dbraw/zinc/44/97/79/446449779.db2.gz CYBYYGGDWMEQMY-JKIFEVAISA-N 2 1 347.459 1.537 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417972865 446404025 /nfs/dbraw/zinc/40/40/25/446404025.db2.gz BUPLKIZNGNUGQJ-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000418012438 446415187 /nfs/dbraw/zinc/41/51/87/446415187.db2.gz LXTLCYQYBDOOGD-CYGHRXIMSA-N 2 1 330.476 1.886 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)[C@@H]1c1ccccc1 ZINC000418191591 446454046 /nfs/dbraw/zinc/45/40/46/446454046.db2.gz XKRMRRUIUTULLD-SQNIBIBYSA-N 2 1 348.491 1.731 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)[C@@H]1c1ccccc1 ZINC000418191591 446454051 /nfs/dbraw/zinc/45/40/51/446454051.db2.gz XKRMRRUIUTULLD-SQNIBIBYSA-N 2 1 348.491 1.731 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411270433 446457101 /nfs/dbraw/zinc/45/71/01/446457101.db2.gz JHPYEYQNDQSLNP-UHFFFAOYSA-N 2 1 348.491 1.843 20 0 EDADMP CCOC(=O)c1[nH]c(C)c(C(=O)C[NH+]2CCC(C[NH2+]C)CC2)c1C ZINC000420299236 446461657 /nfs/dbraw/zinc/46/16/57/446461657.db2.gz TXKXAGSXIGZPMU-UHFFFAOYSA-N 2 1 335.448 1.922 20 0 EDADMP CC(C)N1CC[NH+](CCCN2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000420308545 446471481 /nfs/dbraw/zinc/47/14/81/446471481.db2.gz KMEGGHJOBBMDEP-IBGZPJMESA-N 2 1 331.508 1.444 20 0 EDADMP O=C1[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1c1ccccc1C(F)(F)F ZINC000420314303 446478654 /nfs/dbraw/zinc/47/86/54/446478654.db2.gz QPLJGRTUHSTJOY-ZOWXZIJZSA-N 2 1 339.361 1.962 20 0 EDADMP O=C1[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1c1ccccc1C(F)(F)F ZINC000420314303 446478662 /nfs/dbraw/zinc/47/86/62/446478662.db2.gz QPLJGRTUHSTJOY-ZOWXZIJZSA-N 2 1 339.361 1.962 20 0 EDADMP Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420320309 446485775 /nfs/dbraw/zinc/48/57/75/446485775.db2.gz BENRXQWJNSQZDZ-QGZVFWFLSA-N 2 1 331.460 1.299 20 0 EDADMP Cc1ccc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420320309 446485780 /nfs/dbraw/zinc/48/57/80/446485780.db2.gz BENRXQWJNSQZDZ-QGZVFWFLSA-N 2 1 331.460 1.299 20 0 EDADMP C[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000423317027 446486171 /nfs/dbraw/zinc/48/61/71/446486171.db2.gz BDNNAUBBZLMRDI-HLLBOEOZSA-N 2 1 333.480 1.658 20 0 EDADMP [NH3+][C@H](CC(=O)N1CCC[N@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000370862165 446486433 /nfs/dbraw/zinc/48/64/33/446486433.db2.gz PQGUNGXUVNUBIF-GOSISDBHSA-N 2 1 331.460 1.790 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NCCC[NH2+]C3CC3)CC2)c1 ZINC000418301960 446490930 /nfs/dbraw/zinc/49/09/30/446490930.db2.gz PPABPXLVQBNMAD-UHFFFAOYSA-N 2 1 330.476 1.964 20 0 EDADMP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420326637 446493696 /nfs/dbraw/zinc/49/36/96/446493696.db2.gz COCBIVNRDYEOMB-XHSDSOJGSA-N 2 1 334.464 2.412 20 0 EDADMP Cn1c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc2ccccc2c1=O ZINC000420333120 446502722 /nfs/dbraw/zinc/50/27/22/446502722.db2.gz SLAUWRGQKPOKGS-LSDHHAIUSA-N 2 1 326.444 1.755 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000420335366 446504541 /nfs/dbraw/zinc/50/45/41/446504541.db2.gz HFBVQLJOYAJMNV-MSOLQXFVSA-N 2 1 327.472 1.893 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420337267 446508441 /nfs/dbraw/zinc/50/84/41/446508441.db2.gz MZMYUYVBWMHLEA-CALCHBBNSA-N 2 1 331.460 1.585 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418343798 446508543 /nfs/dbraw/zinc/50/85/43/446508543.db2.gz JZFKEAKTMGGWHC-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP Cc1ccccc1CNC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339380 446509764 /nfs/dbraw/zinc/50/97/64/446509764.db2.gz YQROJRBAMHMRLW-KRWDZBQOSA-N 2 1 331.460 1.299 20 0 EDADMP Cc1ccccc1CNC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339380 446509770 /nfs/dbraw/zinc/50/97/70/446509770.db2.gz YQROJRBAMHMRLW-KRWDZBQOSA-N 2 1 331.460 1.299 20 0 EDADMP CC[C@@H]1CN(C(=O)c2ccccc2CC[NH2+]C)CC[N@H+]1C[C@@H](C)O ZINC000423383529 446510406 /nfs/dbraw/zinc/51/04/06/446510406.db2.gz JMHLFAAMQWPGJJ-NVXWUHKLSA-N 2 1 333.476 1.366 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]([NH3+])C3CCC3)cc2)CC1 ZINC000423358799 446498158 /nfs/dbraw/zinc/49/81/58/446498158.db2.gz UKUFMAJLBKERNA-GOSISDBHSA-N 2 1 344.459 1.069 20 0 EDADMP CN(Cc1ccccc1F)C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420330499 446498316 /nfs/dbraw/zinc/49/83/16/446498316.db2.gz PYMVSHQTSIGHBO-INIZCTEOSA-N 2 1 349.450 1.471 20 0 EDADMP CN(Cc1ccccc1F)C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420330499 446498321 /nfs/dbraw/zinc/49/83/21/446498321.db2.gz PYMVSHQTSIGHBO-INIZCTEOSA-N 2 1 349.450 1.471 20 0 EDADMP COC[C@]1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC[NH2+]C1 ZINC000423357215 446498875 /nfs/dbraw/zinc/49/88/75/446498875.db2.gz LUKDTWSOVQIEPO-SCTDSRPQSA-N 2 1 337.508 1.726 20 0 EDADMP O=C(NCC1C[NH2+]C1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418479614 446558442 /nfs/dbraw/zinc/55/84/42/446558442.db2.gz AOWYKWSYGXTKGU-UHFFFAOYSA-N 2 1 342.487 1.904 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433371539 446565275 /nfs/dbraw/zinc/56/52/75/446565275.db2.gz BJADFXAJIPJGHV-LSDHHAIUSA-N 2 1 334.468 1.197 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)n1C ZINC000423395725 446516832 /nfs/dbraw/zinc/51/68/32/446516832.db2.gz ARZHWFBCXBYBEI-HNNXBMFYSA-N 2 1 329.448 1.829 20 0 EDADMP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420346760 446522007 /nfs/dbraw/zinc/52/20/07/446522007.db2.gz DNIZRZYNXDNHSS-YJBOKZPZSA-N 2 1 348.466 1.152 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)c2)C[C@H](C)O1 ZINC000423415801 446523934 /nfs/dbraw/zinc/52/39/34/446523934.db2.gz PLTHEDXEADPPFE-BFIPOCKSSA-N 2 1 329.444 1.986 20 0 EDADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348643 446525698 /nfs/dbraw/zinc/52/56/98/446525698.db2.gz MJDDSUKVVMNEBG-HOCLYGCPSA-N 2 1 327.432 1.777 20 0 EDADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348643 446525701 /nfs/dbraw/zinc/52/57/01/446525701.db2.gz MJDDSUKVVMNEBG-HOCLYGCPSA-N 2 1 327.432 1.777 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418393476 446525771 /nfs/dbraw/zinc/52/57/71/446525771.db2.gz WXUKHVJSQBYFFK-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418394299 446525910 /nfs/dbraw/zinc/52/59/10/446525910.db2.gz ZEEOZIFSBSXFNC-HKUYNNGSSA-N 2 1 348.491 1.248 20 0 EDADMP Fc1ccc(-c2cc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)on2)cc1 ZINC000420348728 446525901 /nfs/dbraw/zinc/52/59/01/446525901.db2.gz MWCMIOCLVMWAPC-MRXNPFEDSA-N 2 1 330.407 1.960 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420354898 446533226 /nfs/dbraw/zinc/53/32/26/446533226.db2.gz DJEODIBMKOBLQK-QGZVFWFLSA-N 2 1 348.466 1.452 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC[N@H+]1CCOC ZINC000418411312 446534553 /nfs/dbraw/zinc/53/45/53/446534553.db2.gz PDUGDHNGQOBDSO-BZUAXINKSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@H](C(=O)NCC(F)(F)F)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000411428853 446537591 /nfs/dbraw/zinc/53/75/91/446537591.db2.gz PQVVYHBTYWSOQR-VXGBXAGGSA-N 2 1 332.370 1.742 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000418420280 446538312 /nfs/dbraw/zinc/53/83/12/446538312.db2.gz YZOWMLPTYAVLNX-ZGRYLRDCSA-N 2 1 337.512 1.020 20 0 EDADMP C[NH+](C)C[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453106263 446546590 /nfs/dbraw/zinc/54/65/90/446546590.db2.gz YLVUWZAHIHJTJF-WTGUMLROSA-N 3 1 331.504 1.942 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000420373427 446551314 /nfs/dbraw/zinc/55/13/14/446551314.db2.gz ZEOAKGOZQSRDDU-QGZVFWFLSA-N 2 1 348.466 1.452 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000418465554 446553810 /nfs/dbraw/zinc/55/38/10/446553810.db2.gz NHAHIXXXAKNKLT-WMZOPIPTSA-N 2 1 330.476 1.950 20 0 EDADMP CCC[NH2+]CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418467187 446555129 /nfs/dbraw/zinc/55/51/29/446555129.db2.gz ICXCGFQHFCSKPA-MSOLQXFVSA-N 2 1 348.491 1.168 20 0 EDADMP CCCOc1ccc2c(c1)CC[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000420381491 446556318 /nfs/dbraw/zinc/55/63/18/446556318.db2.gz XJXVAAQRHCXALD-UHFFFAOYSA-N 2 1 331.460 1.655 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000371020870 446578918 /nfs/dbraw/zinc/57/89/18/446578918.db2.gz WIDLWKLKJONTLD-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP COc1cc(-c2noc(C[NH+]3CCC(O)(C[NH3+])CC3)n2)ccc1C ZINC000420407124 446580333 /nfs/dbraw/zinc/58/03/33/446580333.db2.gz SWNLWPCNIRXAJO-UHFFFAOYSA-N 2 1 332.404 1.339 20 0 EDADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000418530602 446583733 /nfs/dbraw/zinc/58/37/33/446583733.db2.gz VBNFIKOVHGXELL-YXJHDRRASA-N 2 1 347.507 1.979 20 0 EDADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000418530602 446583737 /nfs/dbraw/zinc/58/37/37/446583737.db2.gz VBNFIKOVHGXELL-YXJHDRRASA-N 2 1 347.507 1.979 20 0 EDADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420417266 446590841 /nfs/dbraw/zinc/59/08/41/446590841.db2.gz WEFLFODVLWJQKN-JHJVBQTASA-N 2 1 336.411 1.779 20 0 EDADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420417266 446590848 /nfs/dbraw/zinc/59/08/48/446590848.db2.gz WEFLFODVLWJQKN-JHJVBQTASA-N 2 1 336.411 1.779 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1CC ZINC000418566180 446597044 /nfs/dbraw/zinc/59/70/44/446597044.db2.gz AECYZGRBBFVIRS-XHSDSOJGSA-N 2 1 326.485 1.399 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)ccc1C[NH+](C)C ZINC000411550305 446598555 /nfs/dbraw/zinc/59/85/55/446598555.db2.gz KDLMMKNOTGABTC-HNNXBMFYSA-N 2 1 348.491 1.840 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434353731 446639206 /nfs/dbraw/zinc/63/92/06/446639206.db2.gz XFQLJVGECRQXKS-QGZVFWFLSA-N 2 1 338.496 1.367 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434353731 446639211 /nfs/dbraw/zinc/63/92/11/446639211.db2.gz XFQLJVGECRQXKS-QGZVFWFLSA-N 2 1 338.496 1.367 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000418663921 446640167 /nfs/dbraw/zinc/64/01/67/446640167.db2.gz AAWKHCCQABIXAZ-OFLPRAFFSA-N 2 1 339.528 1.218 20 0 EDADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000434467609 446645875 /nfs/dbraw/zinc/64/58/75/446645875.db2.gz OUYPHVQWGPWHPW-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000434467609 446645884 /nfs/dbraw/zinc/64/58/84/446645884.db2.gz OUYPHVQWGPWHPW-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000434467609 446645891 /nfs/dbraw/zinc/64/58/91/446645891.db2.gz OUYPHVQWGPWHPW-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP O=C([C@@H]1CSC[NH2+]1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423747803 446676576 /nfs/dbraw/zinc/67/65/76/446676576.db2.gz QAAOPQQJCFKIHM-KRWDZBQOSA-N 2 1 333.501 1.816 20 0 EDADMP O=C([C@@H]1CSC[NH2+]1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000423747803 446676587 /nfs/dbraw/zinc/67/65/87/446676587.db2.gz QAAOPQQJCFKIHM-KRWDZBQOSA-N 2 1 333.501 1.816 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@@H]2CC23CC[NH2+]CC3)c2ccccc2)CC1 ZINC000368139546 446663118 /nfs/dbraw/zinc/66/31/18/446663118.db2.gz IEDFGWDRMLWENB-MSOLQXFVSA-N 2 1 342.487 1.233 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418743280 446665611 /nfs/dbraw/zinc/66/56/11/446665611.db2.gz CPUSCEYPOTVHLB-MRXNPFEDSA-N 2 1 339.528 1.234 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418631109 446623781 /nfs/dbraw/zinc/62/37/81/446623781.db2.gz GCTVPPRGCUKVQP-WMZOPIPTSA-N 2 1 346.475 1.019 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000418632333 446623987 /nfs/dbraw/zinc/62/39/87/446623987.db2.gz VLSLCXASZGEKAH-QGZVFWFLSA-N 2 1 347.507 1.054 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000418645855 446629608 /nfs/dbraw/zinc/62/96/08/446629608.db2.gz WQJIIQXLMZDGSJ-AEFFLSMTSA-N 2 1 330.476 1.998 20 0 EDADMP CN(C(=O)NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1CC[N@H+](C2CC2)C1 ZINC000418645832 446629687 /nfs/dbraw/zinc/62/96/87/446629687.db2.gz WPBDSUVFXLZTEH-FUHWJXTLSA-N 2 1 328.460 1.752 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000434264597 446632417 /nfs/dbraw/zinc/63/24/17/446632417.db2.gz CPXFCTDVGVWUCA-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000434264597 446632421 /nfs/dbraw/zinc/63/24/21/446632421.db2.gz CPXFCTDVGVWUCA-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000434264597 446632427 /nfs/dbraw/zinc/63/24/27/446632427.db2.gz CPXFCTDVGVWUCA-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000434264597 446632431 /nfs/dbraw/zinc/63/24/31/446632431.db2.gz CPXFCTDVGVWUCA-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCCNC(=O)CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376736810 446686971 /nfs/dbraw/zinc/68/69/71/446686971.db2.gz NGKCNCVXEJTCQB-HNNXBMFYSA-N 2 1 334.464 1.552 20 0 EDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000423758125 446687382 /nfs/dbraw/zinc/68/73/82/446687382.db2.gz JJJHXOBPLSUNAG-UHFFFAOYSA-N 2 1 347.507 1.685 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418767506 446687317 /nfs/dbraw/zinc/68/73/17/446687317.db2.gz LOKJDTRACUAKQI-INIZCTEOSA-N 2 1 339.528 1.234 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])CC2)cn1 ZINC000423759028 446689499 /nfs/dbraw/zinc/68/94/99/446689499.db2.gz OOEITIGNTXCCHK-PKOBYXMFSA-N 2 1 347.507 1.845 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])CC2)cn1 ZINC000423759028 446689505 /nfs/dbraw/zinc/68/95/05/446689505.db2.gz OOEITIGNTXCCHK-PKOBYXMFSA-N 2 1 347.507 1.845 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1(C)C ZINC000423798624 446699378 /nfs/dbraw/zinc/69/93/78/446699378.db2.gz JFKRGTFRKLWWNX-RKVPGOIHSA-N 2 1 325.497 1.756 20 0 EDADMP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC)C2)c1 ZINC000411912386 446723892 /nfs/dbraw/zinc/72/38/92/446723892.db2.gz VPHMHEJRLBAVFD-QGZVFWFLSA-N 2 1 346.475 1.677 20 0 EDADMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423896078 446750149 /nfs/dbraw/zinc/75/01/49/446750149.db2.gz GFGWMJOZBJKTCX-MANSERQUSA-N 2 1 343.471 1.222 20 0 EDADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423905146 446756490 /nfs/dbraw/zinc/75/64/90/446756490.db2.gz OXKFWDLWOPVVPQ-QRVBRYPASA-N 2 1 343.471 1.488 20 0 EDADMP CCOC(=O)c1coc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000418891963 446777881 /nfs/dbraw/zinc/77/78/81/446777881.db2.gz VHLWOJMAEBPOEI-YIONKMFJSA-N 2 1 348.447 1.599 20 0 EDADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000423931031 446782545 /nfs/dbraw/zinc/78/25/45/446782545.db2.gz LXVRQFFUFGLWLR-BVIKNXMNSA-N 2 1 347.507 1.650 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(N(C)C)nc3)C2)CC1 ZINC000371333273 446783206 /nfs/dbraw/zinc/78/32/06/446783206.db2.gz UDFWDBRELKJMPT-QGZVFWFLSA-N 2 1 332.496 1.143 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(N(C)C)nc3)C2)CC1 ZINC000371333273 446783213 /nfs/dbraw/zinc/78/32/13/446783213.db2.gz UDFWDBRELKJMPT-QGZVFWFLSA-N 2 1 332.496 1.143 20 0 EDADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)CC1 ZINC000371338226 446786251 /nfs/dbraw/zinc/78/62/51/446786251.db2.gz ZOMHPOLLIRGEAI-UHFFFAOYSA-N 2 1 346.523 1.533 20 0 EDADMP CC(C)([NH3+])CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000418953854 446824153 /nfs/dbraw/zinc/82/41/53/446824153.db2.gz SDWLRGCBGGDJGT-MRXNPFEDSA-N 2 1 346.475 1.011 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC[N@H+]1C ZINC000418959165 446828170 /nfs/dbraw/zinc/82/81/70/446828170.db2.gz HFHYNCKDCSEQSO-GDBMZVCRSA-N 2 1 338.496 1.014 20 0 EDADMP Cc1cc(CNC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc(C)n1 ZINC000420846433 446854270 /nfs/dbraw/zinc/85/42/70/446854270.db2.gz JCUOXIQIEQJXLV-KRWDZBQOSA-N 2 1 334.464 1.854 20 0 EDADMP Cc1cc(CNC(=O)NC[C@H]2CN(CC(C)C)CCO2)cc(C)n1 ZINC000420846433 446854280 /nfs/dbraw/zinc/85/42/80/446854280.db2.gz JCUOXIQIEQJXLV-KRWDZBQOSA-N 2 1 334.464 1.854 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000424158534 446861647 /nfs/dbraw/zinc/86/16/47/446861647.db2.gz TUFDZAHUGWNMOE-XJKCOSOUSA-N 2 1 331.464 1.100 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000419015891 446867732 /nfs/dbraw/zinc/86/77/32/446867732.db2.gz FKJYHFINNBNUNG-QGZVFWFLSA-N 2 1 348.491 1.244 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000424452571 446873682 /nfs/dbraw/zinc/87/36/82/446873682.db2.gz IYKWOUAYZWDAGT-QGZVFWFLSA-N 2 1 346.475 1.725 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000419047007 446883977 /nfs/dbraw/zinc/88/39/77/446883977.db2.gz RALMZAKPAXBFOI-DJIMGWMZSA-N 2 1 346.475 1.038 20 0 EDADMP COC(=O)c1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)nc1 ZINC000368508546 446908375 /nfs/dbraw/zinc/90/83/75/446908375.db2.gz TUGAKCKMPJQYMP-HNNXBMFYSA-N 2 1 346.475 1.469 20 0 EDADMP COC(=O)c1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)nc1 ZINC000368508546 446908381 /nfs/dbraw/zinc/90/83/81/446908381.db2.gz TUGAKCKMPJQYMP-HNNXBMFYSA-N 2 1 346.475 1.469 20 0 EDADMP CCCNC(=O)CCC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420972525 446942681 /nfs/dbraw/zinc/94/26/81/446942681.db2.gz BDCMDZSSQDOMCW-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP CCOC(=O)COCC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420975891 446946722 /nfs/dbraw/zinc/94/67/22/446946722.db2.gz GFVZRBTYRXUHMX-UHFFFAOYSA-N 2 1 341.496 1.058 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442751655 446950329 /nfs/dbraw/zinc/95/03/29/446950329.db2.gz CUEPDFJTTIDOSA-DZKIICNBSA-N 2 1 349.475 1.420 20 0 EDADMP COc1ccc(CN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)C2CC2)cc1 ZINC000442758740 446954941 /nfs/dbraw/zinc/95/49/41/446954941.db2.gz JFEODHAVOTYXSG-GDBMZVCRSA-N 2 1 331.460 1.855 20 0 EDADMP COc1ccc(CN(C(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)C2CC2)cc1 ZINC000442758740 446954952 /nfs/dbraw/zinc/95/49/52/446954952.db2.gz JFEODHAVOTYXSG-GDBMZVCRSA-N 2 1 331.460 1.855 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000442766364 446957222 /nfs/dbraw/zinc/95/72/22/446957222.db2.gz KXSDNHKPLQUKIK-CHWSQXEVSA-N 2 1 325.840 1.504 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000442766364 446957227 /nfs/dbraw/zinc/95/72/27/446957227.db2.gz KXSDNHKPLQUKIK-CHWSQXEVSA-N 2 1 325.840 1.504 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3(CC(=O)OC)CC3)CC2)CC1 ZINC000420984416 446960701 /nfs/dbraw/zinc/96/07/01/446960701.db2.gz TUQDLXPIOAOXRY-UHFFFAOYSA-N 2 1 337.508 1.822 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419149637 446964685 /nfs/dbraw/zinc/96/46/85/446964685.db2.gz FMPBOPVWGRFYMA-JKSUJKDBSA-N 2 1 340.512 1.247 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000419148663 446964713 /nfs/dbraw/zinc/96/47/13/446964713.db2.gz DMNKDHNQHGFOBH-BZUAXINKSA-N 2 1 338.496 1.001 20 0 EDADMP CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442777408 446965705 /nfs/dbraw/zinc/96/57/05/446965705.db2.gz IKMAQPRPHVRJOQ-SOUVJXGZSA-N 2 1 349.475 1.940 20 0 EDADMP CCOc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442777408 446965713 /nfs/dbraw/zinc/96/57/13/446965713.db2.gz IKMAQPRPHVRJOQ-SOUVJXGZSA-N 2 1 349.475 1.940 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419163973 446981399 /nfs/dbraw/zinc/98/13/99/446981399.db2.gz MGFSPCKXQSAQLF-RDJZCZTQSA-N 2 1 348.491 1.065 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](CC)C2)[C@H](C)C1 ZINC000413300664 447125018 /nfs/dbraw/zinc/12/50/18/447125018.db2.gz VOJOWTLGULMHFY-IKGGRYGDSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](CC)C2)[C@H](C)C1 ZINC000413300664 447125022 /nfs/dbraw/zinc/12/50/22/447125022.db2.gz VOJOWTLGULMHFY-IKGGRYGDSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CC)C2)[C@H](C)C1 ZINC000413300664 447125028 /nfs/dbraw/zinc/12/50/28/447125028.db2.gz VOJOWTLGULMHFY-IKGGRYGDSA-N 2 1 340.512 1.517 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419410075 447158940 /nfs/dbraw/zinc/15/89/40/447158940.db2.gz AFYDDWKGVPDLHK-GASCZTMLSA-N 2 1 340.512 1.104 20 0 EDADMP C[N@@H+](C[C@@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425507180 447201660 /nfs/dbraw/zinc/20/16/60/447201660.db2.gz GQCQOZLQBKNPCP-DFQSSKMNSA-N 2 1 329.488 1.648 20 0 EDADMP C[NH+](C[C@@H](O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425507180 447201665 /nfs/dbraw/zinc/20/16/65/447201665.db2.gz GQCQOZLQBKNPCP-DFQSSKMNSA-N 2 1 329.488 1.648 20 0 EDADMP C[NH+](C[C@@H](O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425507180 447201667 /nfs/dbraw/zinc/20/16/67/447201667.db2.gz GQCQOZLQBKNPCP-DFQSSKMNSA-N 2 1 329.488 1.648 20 0 EDADMP CC[C@](C)(C(=O)OC)[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC1CC1 ZINC000425513975 447205110 /nfs/dbraw/zinc/20/51/10/447205110.db2.gz PNHFTPYIJJUEDP-GOSISDBHSA-N 2 1 339.480 1.204 20 0 EDADMP CC[C@](C)(C(=O)OC)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC1CC1 ZINC000425513975 447205115 /nfs/dbraw/zinc/20/51/15/447205115.db2.gz PNHFTPYIJJUEDP-GOSISDBHSA-N 2 1 339.480 1.204 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000419474109 447207128 /nfs/dbraw/zinc/20/71/28/447207128.db2.gz BNRPKBRLEKUESM-PMPSAXMXSA-N 2 1 338.496 1.014 20 0 EDADMP C[C@H]1[C@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CCC[N@H+]1C ZINC000445925589 447208859 /nfs/dbraw/zinc/20/88/59/447208859.db2.gz OLWVUIRPGQPUNW-GOEBONIOSA-N 2 1 346.475 1.328 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000419484281 447215050 /nfs/dbraw/zinc/21/50/50/447215050.db2.gz SVTLGTBWRLQHBI-BZUAXINKSA-N 2 1 338.496 1.001 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)CC1 ZINC000425555240 447229515 /nfs/dbraw/zinc/22/95/15/447229515.db2.gz QCNUMYUCDZOYFJ-GOSISDBHSA-N 2 1 335.492 1.432 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)CC1 ZINC000425555240 447229518 /nfs/dbraw/zinc/22/95/18/447229518.db2.gz QCNUMYUCDZOYFJ-GOSISDBHSA-N 2 1 335.492 1.432 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCOC3(CCOCC3)C2)CC1 ZINC000372696343 447230313 /nfs/dbraw/zinc/23/03/13/447230313.db2.gz TXHHLZIBVDRUNM-UHFFFAOYSA-N 2 1 325.497 1.284 20 0 EDADMP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000414312686 447291144 /nfs/dbraw/zinc/29/11/44/447291144.db2.gz NZFQVZNYPWFJKP-CHWSQXEVSA-N 2 1 343.880 1.704 20 0 EDADMP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000414312686 447291147 /nfs/dbraw/zinc/29/11/47/447291147.db2.gz NZFQVZNYPWFJKP-CHWSQXEVSA-N 2 1 343.880 1.704 20 0 EDADMP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377631257 447257541 /nfs/dbraw/zinc/25/75/41/447257541.db2.gz RMPHXQHCAJLITG-IGKNDFSCSA-N 2 1 343.475 1.084 20 0 EDADMP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377631257 447257547 /nfs/dbraw/zinc/25/75/47/447257547.db2.gz RMPHXQHCAJLITG-IGKNDFSCSA-N 2 1 343.475 1.084 20 0 EDADMP COC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000446836916 447258760 /nfs/dbraw/zinc/25/87/60/447258760.db2.gz WWPHBUHRTZETJC-UXHICEINSA-N 2 1 348.487 1.655 20 0 EDADMP COC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000446836916 447258768 /nfs/dbraw/zinc/25/87/68/447258768.db2.gz WWPHBUHRTZETJC-UXHICEINSA-N 2 1 348.487 1.655 20 0 EDADMP COC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000446836915 447259220 /nfs/dbraw/zinc/25/92/20/447259220.db2.gz WWPHBUHRTZETJC-PMACEKPBSA-N 2 1 348.487 1.655 20 0 EDADMP COC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000446836915 447259223 /nfs/dbraw/zinc/25/92/23/447259223.db2.gz WWPHBUHRTZETJC-PMACEKPBSA-N 2 1 348.487 1.655 20 0 EDADMP O[C@H](CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000382408032 447462246 /nfs/dbraw/zinc/46/22/46/447462246.db2.gz BZAJOJMVENLKFH-VQTJNVASSA-N 2 1 331.504 1.945 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000426775698 447500981 /nfs/dbraw/zinc/50/09/81/447500981.db2.gz UISDIUDTHZZHFR-KRWDZBQOSA-N 2 1 347.507 1.439 20 0 EDADMP C[N@@H+](C[C@H](O)CNC[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390867190 447504487 /nfs/dbraw/zinc/50/44/87/447504487.db2.gz OMZFEGZGZINTKN-UXHICEINSA-N 2 1 347.503 1.322 20 0 EDADMP C[NH+](C[C@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390867190 447504488 /nfs/dbraw/zinc/50/44/88/447504488.db2.gz OMZFEGZGZINTKN-UXHICEINSA-N 2 1 347.503 1.322 20 0 EDADMP C[NH+](C[C@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390867190 447504494 /nfs/dbraw/zinc/50/44/94/447504494.db2.gz OMZFEGZGZINTKN-UXHICEINSA-N 2 1 347.503 1.322 20 0 EDADMP CC(C)c1cc(NC[C@H](O)C[NH+]2CCC(C)CC2)nc(N(C)C)[nH+]1 ZINC000427381671 447589150 /nfs/dbraw/zinc/58/91/50/447589150.db2.gz AACDMFCHISTALI-HNNXBMFYSA-N 2 1 335.496 2.171 20 0 EDADMP CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000420027750 447554250 /nfs/dbraw/zinc/55/42/50/447554250.db2.gz LEURMDZVIZAPNI-YQQAZPJKSA-N 2 1 346.475 1.134 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000398104272 447556652 /nfs/dbraw/zinc/55/66/52/447556652.db2.gz AZMFDAIWHKFNCB-QFBILLFUSA-N 2 1 345.487 1.782 20 0 EDADMP O=C(NCCCCC[NH+]1CCCC1)NCCC[NH+]1CCOCC1 ZINC000457398796 447571854 /nfs/dbraw/zinc/57/18/54/447571854.db2.gz JMMNTWSVFFVPTL-UHFFFAOYSA-N 2 1 326.485 1.274 20 0 EDADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C[C@H]4COCCO4)CC3)C2)cc1 ZINC000450979410 447640562 /nfs/dbraw/zinc/64/05/62/447640562.db2.gz ANJMZTFPZCXFRL-PMACEKPBSA-N 2 1 345.487 1.294 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C[C@H]4COCCO4)CC3)C2)cc1 ZINC000450979410 447640568 /nfs/dbraw/zinc/64/05/68/447640568.db2.gz ANJMZTFPZCXFRL-PMACEKPBSA-N 2 1 345.487 1.294 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000457566361 447599195 /nfs/dbraw/zinc/59/91/95/447599195.db2.gz BZFVGZAPHYDLAA-QGZVFWFLSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000427484514 447606109 /nfs/dbraw/zinc/60/61/09/447606109.db2.gz SFICZQAZVSJKAN-GFCCVEGCSA-N 2 1 332.452 1.493 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000427484514 447606114 /nfs/dbraw/zinc/60/61/14/447606114.db2.gz SFICZQAZVSJKAN-GFCCVEGCSA-N 2 1 332.452 1.493 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000420135978 447626552 /nfs/dbraw/zinc/62/65/52/447626552.db2.gz VCUYWOKECWTKRI-DYVFJYSZSA-N 2 1 344.459 1.018 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000416832133 447692995 /nfs/dbraw/zinc/69/29/95/447692995.db2.gz IICIDDHUDGYECS-ZBFHGGJFSA-N 2 1 334.464 1.549 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)[C@H]1SC ZINC000459412756 447656267 /nfs/dbraw/zinc/65/62/67/447656267.db2.gz RSCOMWVLIPISPC-BRWVUGGUSA-N 2 1 329.554 1.759 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@H+](C3CC3)C[C@H](C)C2)CC1 ZINC000451084867 447675213 /nfs/dbraw/zinc/67/52/13/447675213.db2.gz KYPGPECAEPSLCD-MRXNPFEDSA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000416938237 447715446 /nfs/dbraw/zinc/71/54/46/447715446.db2.gz KQRBXUDDQRYHCH-CVEARBPZSA-N 2 1 328.501 1.358 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000416937528 447715666 /nfs/dbraw/zinc/71/56/66/447715666.db2.gz JOICWLIKHFSFAH-JKSUJKDBSA-N 2 1 326.485 1.032 20 0 EDADMP CCCN(C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000416947253 447721162 /nfs/dbraw/zinc/72/11/62/447721162.db2.gz PEHAWWBOMOBXBE-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416947448 447722032 /nfs/dbraw/zinc/72/20/32/447722032.db2.gz YBURIJADBFYSDE-PMPSAXMXSA-N 2 1 326.485 1.112 20 0 EDADMP CC[C@H](CNC(=O)NC[C@@H](C)C[NH2+]C)[N@H+]1CCc2ccccc2C1 ZINC000417006869 447729441 /nfs/dbraw/zinc/72/94/41/447729441.db2.gz GGHVNXIMROINNV-MAUKXSAKSA-N 2 1 332.492 1.978 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cn1ccnn1 ZINC000459695447 447742065 /nfs/dbraw/zinc/74/20/65/447742065.db2.gz KRCCFYNUYTZDGF-ZSYWTGECSA-N 2 1 341.459 1.139 20 0 EDADMP COc1cccc(C(=O)NCC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422759558 447742622 /nfs/dbraw/zinc/74/26/22/447742622.db2.gz KZAKGFOBXODPQH-KXBFYZLASA-N 2 1 341.455 1.973 20 0 EDADMP CN(c1ccccc1C[N@@H+]1C[C@H](CO)[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000459711186 447748892 /nfs/dbraw/zinc/74/88/92/447748892.db2.gz QSENWFVHOKWVTI-VQIMIIECSA-N 2 1 333.476 1.002 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422841783 447767077 /nfs/dbraw/zinc/76/70/77/447767077.db2.gz DNRLSJCKKIULTK-SJLPKXTDSA-N 2 1 330.476 1.455 20 0 EDADMP C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422914896 447771814 /nfs/dbraw/zinc/77/18/14/447771814.db2.gz WKKWPFMIXMRMLT-QFBILLFUSA-N 2 1 344.503 1.600 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000422929581 447774010 /nfs/dbraw/zinc/77/40/10/447774010.db2.gz QPOZKGBUAJGTHM-AWEZNQCLSA-N 2 1 325.453 1.182 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)C1 ZINC000430594532 447782805 /nfs/dbraw/zinc/78/28/05/447782805.db2.gz GLOYNWCLNBWISD-RWMBFGLXSA-N 2 1 336.411 1.922 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)C1 ZINC000430594532 447782806 /nfs/dbraw/zinc/78/28/06/447782806.db2.gz GLOYNWCLNBWISD-RWMBFGLXSA-N 2 1 336.411 1.922 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@H]1C ZINC000430800444 447786114 /nfs/dbraw/zinc/78/61/14/447786114.db2.gz QYLSGTJCHBSGNM-CJNGLKHVSA-N 2 1 348.495 1.456 20 0 EDADMP C[C@@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000422977033 447786484 /nfs/dbraw/zinc/78/64/84/447786484.db2.gz JGFHUZOIAAOXHO-DNVCBOLYSA-N 3 1 326.444 1.782 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000487692855 447836362 /nfs/dbraw/zinc/83/63/62/447836362.db2.gz SFZTVUTUTPSOPE-HOTGVXAUSA-N 2 1 326.485 1.004 20 0 EDADMP COCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[C@H]1C ZINC000487995073 447840262 /nfs/dbraw/zinc/84/02/62/447840262.db2.gz ZKCGQZZVBCNOEV-CRAIPNDOSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1C[C@H](N[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000488502883 447847854 /nfs/dbraw/zinc/84/78/54/447847854.db2.gz ISETZUXDHRWLFH-ZJQCNOOHSA-N 2 1 333.480 1.239 20 0 EDADMP CC[N@@H+]1C[C@H](N[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000488502883 447847855 /nfs/dbraw/zinc/84/78/55/447847855.db2.gz ISETZUXDHRWLFH-ZJQCNOOHSA-N 2 1 333.480 1.239 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC1 ZINC000549131549 447864966 /nfs/dbraw/zinc/86/49/66/447864966.db2.gz NVXRLOQBUYXCAS-UHFFFAOYSA-N 2 1 331.416 1.158 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000496758975 447887895 /nfs/dbraw/zinc/88/78/95/447887895.db2.gz OVVUAIRWNFYSHT-CABCVRRESA-N 2 1 329.485 1.678 20 0 EDADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000496758975 447887900 /nfs/dbraw/zinc/88/79/00/447887900.db2.gz OVVUAIRWNFYSHT-CABCVRRESA-N 2 1 329.485 1.678 20 0 EDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000496758975 447887903 /nfs/dbraw/zinc/88/79/03/447887903.db2.gz OVVUAIRWNFYSHT-CABCVRRESA-N 2 1 329.485 1.678 20 0 EDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000496758975 447887907 /nfs/dbraw/zinc/88/79/07/447887907.db2.gz OVVUAIRWNFYSHT-CABCVRRESA-N 2 1 329.485 1.678 20 0 EDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000496758975 447887909 /nfs/dbraw/zinc/88/79/09/447887909.db2.gz OVVUAIRWNFYSHT-CABCVRRESA-N 2 1 329.485 1.678 20 0 EDADMP COCC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCOC1 ZINC000490093257 447888330 /nfs/dbraw/zinc/88/83/30/447888330.db2.gz AJVNDNLMLYCVCX-ROUUACIJSA-N 2 1 349.475 1.143 20 0 EDADMP COCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCOC1 ZINC000490093257 447888337 /nfs/dbraw/zinc/88/83/37/447888337.db2.gz AJVNDNLMLYCVCX-ROUUACIJSA-N 2 1 349.475 1.143 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)C2)C1 ZINC000496840240 447959069 /nfs/dbraw/zinc/95/90/69/447959069.db2.gz ZZGZTGOGINZAJC-RBUKOAKNSA-N 2 1 348.491 1.278 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531043759 448005512 /nfs/dbraw/zinc/00/55/12/448005512.db2.gz GEQYTRNDVXTNHX-HXUWFJFHSA-N 2 1 345.487 1.616 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000570581629 448033677 /nfs/dbraw/zinc/03/36/77/448033677.db2.gz LHJSUGHQPIFCAI-NZSAHSFTSA-N 2 1 345.487 1.327 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000570581629 448033682 /nfs/dbraw/zinc/03/36/82/448033682.db2.gz LHJSUGHQPIFCAI-NZSAHSFTSA-N 2 1 345.487 1.327 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000570581629 448033686 /nfs/dbraw/zinc/03/36/86/448033686.db2.gz LHJSUGHQPIFCAI-NZSAHSFTSA-N 2 1 345.487 1.327 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531291548 448054460 /nfs/dbraw/zinc/05/44/60/448054460.db2.gz URAYCDDDLJNFTB-LJQANCHMSA-N 2 1 331.460 1.178 20 0 EDADMP C[C@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570733429 448056903 /nfs/dbraw/zinc/05/69/03/448056903.db2.gz NUJXAOLARLJJIH-DZGCQCFKSA-N 2 1 325.403 1.997 20 0 EDADMP C[C@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570733429 448056910 /nfs/dbraw/zinc/05/69/10/448056910.db2.gz NUJXAOLARLJJIH-DZGCQCFKSA-N 2 1 325.403 1.997 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981557 448089713 /nfs/dbraw/zinc/08/97/13/448089713.db2.gz QWXYVGRHILIBFP-OLZOCXBDSA-N 2 1 348.413 1.931 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)[NH+](C)C1 ZINC000502025817 448099397 /nfs/dbraw/zinc/09/93/97/448099397.db2.gz XLCMJOKCXPDRIO-IKGGRYGDSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[NH+]2CC(C)C)[N@H+](C)C1 ZINC000502025817 448099401 /nfs/dbraw/zinc/09/94/01/448099401.db2.gz XLCMJOKCXPDRIO-IKGGRYGDSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[NH+]2CC(C)C)[N@@H+](C)C1 ZINC000502025817 448099406 /nfs/dbraw/zinc/09/94/06/448099406.db2.gz XLCMJOKCXPDRIO-IKGGRYGDSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000531695790 448129143 /nfs/dbraw/zinc/12/91/43/448129143.db2.gz XBAKOCBALDZYCM-KMFMINBZSA-N 2 1 347.459 1.241 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000571634447 448183111 /nfs/dbraw/zinc/18/31/11/448183111.db2.gz SECDVKBAAZUWTO-OAHLLOKOSA-N 2 1 342.867 1.780 20 0 EDADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)CN(C)[C@@H](C)C[NH3+])CC2)cc1 ZINC000577180845 448228062 /nfs/dbraw/zinc/22/80/62/448228062.db2.gz JQAURUUJOCJZKO-KRWDZBQOSA-N 2 1 346.519 1.733 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H](N)c1cscn1 ZINC000582414552 448229902 /nfs/dbraw/zinc/22/99/02/448229902.db2.gz DSZMCHAGBIOZFB-INWMFGNUSA-N 2 1 330.457 1.780 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000572033565 448268476 /nfs/dbraw/zinc/26/84/76/448268476.db2.gz PUTOIKMXOINROA-OTRWWLKZSA-N 2 1 334.464 1.047 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000582555889 448273807 /nfs/dbraw/zinc/27/38/07/448273807.db2.gz RUIIEMSVJCSSDZ-IBGZPJMESA-N 2 1 347.503 1.877 20 0 EDADMP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000515405066 448308378 /nfs/dbraw/zinc/30/83/78/448308378.db2.gz VZXKOHRLLRFCNP-ROUUACIJSA-N 2 1 345.487 1.899 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000515234462 448279782 /nfs/dbraw/zinc/27/97/82/448279782.db2.gz KSEREHZUGBTYCA-IAGOWNOFSA-N 2 1 325.497 1.460 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000515234462 448279787 /nfs/dbraw/zinc/27/97/87/448279787.db2.gz KSEREHZUGBTYCA-IAGOWNOFSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000577386362 448285133 /nfs/dbraw/zinc/28/51/33/448285133.db2.gz PRQJEGIWXIOGLL-GOEBONIOSA-N 2 1 325.522 1.662 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)C3C[NH2+]C3)CC2)cn1 ZINC000577629416 448347586 /nfs/dbraw/zinc/34/75/86/448347586.db2.gz ZWLFCMHZLFWEIX-OAHLLOKOSA-N 2 1 333.480 1.183 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H](C)C3C[NH2+]C3)CC2)cn1 ZINC000577629416 448347590 /nfs/dbraw/zinc/34/75/90/448347590.db2.gz ZWLFCMHZLFWEIX-OAHLLOKOSA-N 2 1 333.480 1.183 20 0 EDADMP CN(C)c1cc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c2ccccc2n1 ZINC000515637187 448336439 /nfs/dbraw/zinc/33/64/39/448336439.db2.gz GOOAKEMGZFBJIL-INIZCTEOSA-N 2 1 328.460 1.846 20 0 EDADMP CN(C)c1cc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c2ccccc2n1 ZINC000515637187 448336441 /nfs/dbraw/zinc/33/64/41/448336441.db2.gz GOOAKEMGZFBJIL-INIZCTEOSA-N 2 1 328.460 1.846 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC(CC[NH3+])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572537835 448404112 /nfs/dbraw/zinc/40/41/12/448404112.db2.gz WDQAJVPYHBZWJV-UXLLHSPISA-N 2 1 325.497 1.708 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC(CC[NH3+])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572537835 448404116 /nfs/dbraw/zinc/40/41/16/448404116.db2.gz WDQAJVPYHBZWJV-UXLLHSPISA-N 2 1 325.497 1.708 20 0 EDADMP Cc1ccc(NCCC[NH2+]C[C@@H](O)COc2cccc(C)c2)[nH+]c1 ZINC000516563735 448439350 /nfs/dbraw/zinc/43/93/50/448439350.db2.gz QTWBMHOORNAMAO-QGZVFWFLSA-N 2 1 329.444 2.530 20 0 EDADMP C[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000578011020 448439975 /nfs/dbraw/zinc/43/99/75/448439975.db2.gz MKOYOQYSCFKSOI-TVFCKZIOSA-N 2 1 337.508 1.772 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@]3(C)CCCO3)CC2)CC1 ZINC000578024400 448445119 /nfs/dbraw/zinc/44/51/19/448445119.db2.gz WYYMNTVTUNNDEX-IBGZPJMESA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000516645254 448454063 /nfs/dbraw/zinc/45/40/63/448454063.db2.gz QOKYMYQQUWUFBP-UXHICEINSA-N 2 1 333.520 1.972 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000516772668 448471606 /nfs/dbraw/zinc/47/16/06/448471606.db2.gz LBOXVQCXPBRRBX-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C[N@@H+]1CCO ZINC000572780831 448462510 /nfs/dbraw/zinc/46/25/10/448462510.db2.gz WPTNQKZEGXUPGW-AOIWGVFYSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C[N@H+]1CCO ZINC000572780831 448462518 /nfs/dbraw/zinc/46/25/18/448462518.db2.gz WPTNQKZEGXUPGW-AOIWGVFYSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C[NH+]1CCO ZINC000572780831 448462525 /nfs/dbraw/zinc/46/25/25/448462525.db2.gz WPTNQKZEGXUPGW-AOIWGVFYSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C[NH+]1CCO ZINC000572780831 448462528 /nfs/dbraw/zinc/46/25/28/448462528.db2.gz WPTNQKZEGXUPGW-AOIWGVFYSA-N 2 1 345.487 1.422 20 0 EDADMP C[N@@H+](C[C@H](O)CNCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000516762036 448469361 /nfs/dbraw/zinc/46/93/61/448469361.db2.gz SBTSRHMGBNUUAX-HXUWFJFHSA-N 2 1 346.519 1.243 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)CCCCO)CC2)CC1 ZINC000566468514 448484214 /nfs/dbraw/zinc/48/42/14/448484214.db2.gz MJORKNWTQDAUTN-INIZCTEOSA-N 2 1 339.524 1.850 20 0 EDADMP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000573228099 448576308 /nfs/dbraw/zinc/57/63/08/448576308.db2.gz VAGXYYVNIWSEPG-RHSMWYFYSA-N 2 1 342.447 1.079 20 0 EDADMP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000573228099 448576318 /nfs/dbraw/zinc/57/63/18/448576318.db2.gz VAGXYYVNIWSEPG-RHSMWYFYSA-N 2 1 342.447 1.079 20 0 EDADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000584464602 448535538 /nfs/dbraw/zinc/53/55/38/448535538.db2.gz BAKVCSXIAVXWKH-BHIYHBOVSA-N 2 1 347.503 1.683 20 0 EDADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000584464602 448535543 /nfs/dbraw/zinc/53/55/43/448535543.db2.gz BAKVCSXIAVXWKH-BHIYHBOVSA-N 2 1 347.503 1.683 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000566687708 448540377 /nfs/dbraw/zinc/54/03/77/448540377.db2.gz OZAJVDDPHFXUEW-INIZCTEOSA-N 2 1 328.460 1.669 20 0 EDADMP C[N@@H+](C[C@@H](O)CNCc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000517129683 448541790 /nfs/dbraw/zinc/54/17/90/448541790.db2.gz JDONABAGGUYWPJ-SFHVURJKSA-N 2 1 347.503 1.704 20 0 EDADMP CN(C[C@@H](O)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000517129683 448541793 /nfs/dbraw/zinc/54/17/93/448541793.db2.gz JDONABAGGUYWPJ-SFHVURJKSA-N 2 1 347.503 1.704 20 0 EDADMP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)C2=O)n1 ZINC000517153931 448545751 /nfs/dbraw/zinc/54/57/51/448545751.db2.gz LAGIBDZUFJLJOG-OAGGEKHMSA-N 2 1 331.464 1.237 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000584728018 448611775 /nfs/dbraw/zinc/61/17/75/448611775.db2.gz XHQCVQNDGNBLNS-SJLPKXTDSA-N 2 1 330.476 1.142 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000573428489 448622816 /nfs/dbraw/zinc/62/28/16/448622816.db2.gz MWKUYCJMWVYCDE-JQHSSLGASA-N 2 1 330.476 1.948 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000578633437 448597933 /nfs/dbraw/zinc/59/79/33/448597933.db2.gz ONLXYQZXZAVQPW-OAHLLOKOSA-N 2 1 334.464 1.371 20 0 EDADMP CC[NH+]1CCN(C(=O)c2cccc(CNc3ccnc(C)n3)c2)CC1 ZINC000541703791 448685714 /nfs/dbraw/zinc/68/57/14/448685714.db2.gz MJSSVTQMFORPBC-UHFFFAOYSA-N 2 1 339.443 2.175 20 0 EDADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NC3C[NH2+]C3)c2C1 ZINC000573694164 448693320 /nfs/dbraw/zinc/69/33/20/448693320.db2.gz TXNCHIGQEZKHQH-GFCCVEGCSA-N 2 1 330.432 1.073 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000541780805 448693619 /nfs/dbraw/zinc/69/36/19/448693619.db2.gz GCJZVWLHAXDNAY-OAHLLOKOSA-N 2 1 334.464 1.115 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000541780805 448693627 /nfs/dbraw/zinc/69/36/27/448693627.db2.gz GCJZVWLHAXDNAY-OAHLLOKOSA-N 2 1 334.464 1.115 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000573902738 448740112 /nfs/dbraw/zinc/74/01/12/448740112.db2.gz DLOUSDSVYWUCII-WOJBJXKFSA-N 2 1 349.494 1.829 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2F)CC1 ZINC000574150858 448802623 /nfs/dbraw/zinc/80/26/23/448802623.db2.gz HJMVASXATVEZCO-QGZVFWFLSA-N 2 1 340.439 1.404 20 0 EDADMP C[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)C[NH+]1CCOCC1 ZINC000519627533 448804041 /nfs/dbraw/zinc/80/40/41/448804041.db2.gz MAOLADXKDWVHMK-HNNXBMFYSA-N 2 1 338.496 1.271 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000579369610 448779763 /nfs/dbraw/zinc/77/97/63/448779763.db2.gz HLEVDKUWOGTNFU-BDXSIMOUSA-N 2 1 327.513 1.263 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529306687 448814729 /nfs/dbraw/zinc/81/47/29/448814729.db2.gz JACRKAUMDYJYKV-DOTOQJQBSA-N 2 1 336.480 1.023 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)CC1 ZINC000579470025 448801047 /nfs/dbraw/zinc/80/10/47/448801047.db2.gz YOIPVOJNTURNPI-SJLPKXTDSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NC2(C[NH3+])CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000529314761 448818206 /nfs/dbraw/zinc/81/82/06/448818206.db2.gz HUGOZCXIQYZLNX-RDJZCZTQSA-N 2 1 346.475 1.457 20 0 EDADMP O=C1C[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C(=O)N1 ZINC000568163394 448824924 /nfs/dbraw/zinc/82/49/24/448824924.db2.gz WKBLBYOTAQJVQN-INIZCTEOSA-N 2 1 327.428 1.390 20 0 EDADMP O=C1C[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C(=O)N1 ZINC000568163395 448825338 /nfs/dbraw/zinc/82/53/38/448825338.db2.gz WKBLBYOTAQJVQN-MRXNPFEDSA-N 2 1 327.428 1.390 20 0 EDADMP CCN(CC)C(=O)CCC1CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000574462295 448880019 /nfs/dbraw/zinc/88/00/19/448880019.db2.gz CWRDWISILMAMOZ-QGZVFWFLSA-N 2 1 327.513 1.660 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000568644641 448901167 /nfs/dbraw/zinc/90/11/67/448901167.db2.gz PNIXOGMHEFHOJG-BPQIPLTHSA-N 2 1 336.476 1.761 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000568644641 448901171 /nfs/dbraw/zinc/90/11/71/448901171.db2.gz PNIXOGMHEFHOJG-BPQIPLTHSA-N 2 1 336.476 1.761 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000568547632 448887751 /nfs/dbraw/zinc/88/77/51/448887751.db2.gz XELBLVGPMUCOMB-UXHICEINSA-N 2 1 343.471 1.178 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000568547632 448887757 /nfs/dbraw/zinc/88/77/57/448887757.db2.gz XELBLVGPMUCOMB-UXHICEINSA-N 2 1 343.471 1.178 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000568547632 448887764 /nfs/dbraw/zinc/88/77/64/448887764.db2.gz XELBLVGPMUCOMB-UXHICEINSA-N 2 1 343.471 1.178 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589144040 448976463 /nfs/dbraw/zinc/97/64/63/448976463.db2.gz AGMKHGDMUPYMAX-OALUTQOASA-N 2 1 342.487 1.990 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000569337551 449006185 /nfs/dbraw/zinc/00/61/85/449006185.db2.gz GOMUVAVGGXPUBT-ARFHVFGLSA-N 2 1 327.517 1.170 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[NH2+]CCC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000582176208 449029485 /nfs/dbraw/zinc/02/94/85/449029485.db2.gz HWXUYGYNVBBXDD-WSTZPKSXSA-N 2 1 349.519 1.568 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000521974562 449032891 /nfs/dbraw/zinc/03/28/91/449032891.db2.gz HZIARWHNVIDSET-YYIAUSFCSA-N 2 1 338.496 1.364 20 0 EDADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)C1 ZINC000575359847 449084018 /nfs/dbraw/zinc/08/40/18/449084018.db2.gz KVIDYUAYFBNEKG-DOTOQJQBSA-N 2 1 335.423 1.983 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)C[C@H](C)O)CC2)CC1 ZINC000582310804 449064346 /nfs/dbraw/zinc/06/43/46/449064346.db2.gz UBSIYTZSZWMIIU-GJZGRUSLSA-N 2 1 325.497 1.458 20 0 EDADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592960288 449085574 /nfs/dbraw/zinc/08/55/74/449085574.db2.gz XENNWCIOHHCSNN-GJZGRUSLSA-N 2 1 342.447 1.701 20 0 EDADMP NC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241971 449091655 /nfs/dbraw/zinc/09/16/55/449091655.db2.gz SAQGJHCFTYNACI-SJORKVTESA-N 2 1 335.423 1.443 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604182371 449186987 /nfs/dbraw/zinc/18/69/87/449186987.db2.gz DDJFPXCLMJAWCO-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604182371 449186994 /nfs/dbraw/zinc/18/69/94/449186994.db2.gz DDJFPXCLMJAWCO-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP CCOC(=O)CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000594052443 449340054 /nfs/dbraw/zinc/34/00/54/449340054.db2.gz XNELVMAJEGMRHE-UHFFFAOYSA-N 2 1 339.480 1.393 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(I)cc1 ZINC000600724606 449519512 /nfs/dbraw/zinc/51/95/12/449519512.db2.gz BWJPCADOOLYYEJ-UHFFFAOYSA-N 2 1 348.228 1.959 20 0 EDADMP C[N@H+](CCO)Cc1cc(NC(=O)[C@@H]2CC[NH+](C)C2)ccc1Cl ZINC000614384700 449587983 /nfs/dbraw/zinc/58/79/83/449587983.db2.gz LKMHNZUOULNZNE-GFCCVEGCSA-N 2 1 325.840 1.654 20 0 EDADMP C[N@@H+](CCO)Cc1cc(NC(=O)[C@@H]2CC[NH+](C)C2)ccc1Cl ZINC000614384700 449587986 /nfs/dbraw/zinc/58/79/86/449587986.db2.gz LKMHNZUOULNZNE-GFCCVEGCSA-N 2 1 325.840 1.654 20 0 EDADMP C[NH+](CCO)Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)C2)ccc1Cl ZINC000614384700 449587988 /nfs/dbraw/zinc/58/79/88/449587988.db2.gz LKMHNZUOULNZNE-GFCCVEGCSA-N 2 1 325.840 1.654 20 0 EDADMP C[NH+](CCO)Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)C2)ccc1Cl ZINC000614384700 449587991 /nfs/dbraw/zinc/58/79/91/449587991.db2.gz LKMHNZUOULNZNE-GFCCVEGCSA-N 2 1 325.840 1.654 20 0 EDADMP CCN(C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000617554421 449685070 /nfs/dbraw/zinc/68/50/70/449685070.db2.gz BKJSNLUBZBWUNX-IBGZPJMESA-N 2 1 344.503 1.995 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(F)cc1F ZINC000617506731 449655617 /nfs/dbraw/zinc/65/56/17/449655617.db2.gz XLHWGMYEQVWUGJ-ZDUSSCGKSA-N 2 1 327.419 1.896 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(F)cc1F ZINC000617506731 449655623 /nfs/dbraw/zinc/65/56/23/449655623.db2.gz XLHWGMYEQVWUGJ-ZDUSSCGKSA-N 2 1 327.419 1.896 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c2c(nn1C)CCCC2 ZINC000617506772 449656570 /nfs/dbraw/zinc/65/65/70/449656570.db2.gz YUUWVCZKDSPIEX-AWEZNQCLSA-N 2 1 335.496 1.301 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c2c(nn1C)CCCC2 ZINC000617506772 449656576 /nfs/dbraw/zinc/65/65/76/449656576.db2.gz YUUWVCZKDSPIEX-AWEZNQCLSA-N 2 1 335.496 1.301 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccnn1CC(F)F ZINC000617507078 449656604 /nfs/dbraw/zinc/65/66/04/449656604.db2.gz HEVHMIUBCKRWDW-LBPRGKRZSA-N 2 1 331.411 1.150 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccnn1CC(F)F ZINC000617507078 449656612 /nfs/dbraw/zinc/65/66/12/449656612.db2.gz HEVHMIUBCKRWDW-LBPRGKRZSA-N 2 1 331.411 1.150 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000617764136 449824352 /nfs/dbraw/zinc/82/43/52/449824352.db2.gz KOFMDLBHXWRQKJ-IBGZPJMESA-N 2 1 346.519 1.508 20 0 EDADMP COC(=O)CCCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000599276610 449851659 /nfs/dbraw/zinc/85/16/59/449851659.db2.gz BZNLXICGQBJRMD-CALCHBBNSA-N 2 1 325.497 1.820 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000612906574 449936665 /nfs/dbraw/zinc/93/66/65/449936665.db2.gz FUWRIUVYOOIRLP-BRWVUGGUSA-N 2 1 336.480 1.119 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000612906574 449936668 /nfs/dbraw/zinc/93/66/68/449936668.db2.gz FUWRIUVYOOIRLP-BRWVUGGUSA-N 2 1 336.480 1.119 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000608701923 449914448 /nfs/dbraw/zinc/91/44/48/449914448.db2.gz KPZQVTIKQLLBJH-QGZVFWFLSA-N 2 1 349.479 1.478 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000617977249 449959533 /nfs/dbraw/zinc/95/95/33/449959533.db2.gz PIUDSFGGKJRWPI-GOSISDBHSA-N 2 1 346.475 1.131 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000617977249 449959537 /nfs/dbraw/zinc/95/95/37/449959537.db2.gz PIUDSFGGKJRWPI-GOSISDBHSA-N 2 1 346.475 1.131 20 0 EDADMP COc1cc2[nH+]c(NC[C@@H]3CC[N@@H+](C(C)C)C3)nc(N)c2cc1OC ZINC000601513534 450034708 /nfs/dbraw/zinc/03/47/08/450034708.db2.gz GSLXWSMGTCQLBV-LBPRGKRZSA-N 2 1 345.447 1.793 20 0 EDADMP COc1cc2[nH+]c(NC[C@@H]3CC[N@H+](C(C)C)C3)nc(N)c2cc1OC ZINC000601513534 450034713 /nfs/dbraw/zinc/03/47/13/450034713.db2.gz GSLXWSMGTCQLBV-LBPRGKRZSA-N 2 1 345.447 1.793 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)[C@@H]1CCOC1 ZINC000595341286 450054045 /nfs/dbraw/zinc/05/40/45/450054045.db2.gz VGFQHEWBDIALNI-KZNAEPCWSA-N 2 1 325.497 1.138 20 0 EDADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NCC(=O)OC ZINC000599660263 450136119 /nfs/dbraw/zinc/13/61/19/450136119.db2.gz LGXMMUSBGIORDW-CQSZACIVSA-N 2 1 335.448 1.248 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623394929 450513633 /nfs/dbraw/zinc/51/36/33/450513633.db2.gz XZYVFNFYMVEGKZ-KRWDZBQOSA-N 2 1 329.448 1.595 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623394929 450513635 /nfs/dbraw/zinc/51/36/35/450513635.db2.gz XZYVFNFYMVEGKZ-KRWDZBQOSA-N 2 1 329.448 1.595 20 0 EDADMP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000625943974 450539354 /nfs/dbraw/zinc/53/93/54/450539354.db2.gz BHUAUIWAMBQURJ-CVEARBPZSA-N 2 1 330.432 1.917 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000626076450 450569534 /nfs/dbraw/zinc/56/95/34/450569534.db2.gz NCFAWCUKGJANEQ-FZDIXFNVSA-N 2 1 327.472 1.931 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nnc(-c2ccccc2)o1 ZINC000631443693 450593167 /nfs/dbraw/zinc/59/31/67/450593167.db2.gz QTTIXXMRBBMEHT-AWEZNQCLSA-N 2 1 345.447 1.738 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nnc(-c2ccccc2)o1 ZINC000631443693 450593177 /nfs/dbraw/zinc/59/31/77/450593177.db2.gz QTTIXXMRBBMEHT-AWEZNQCLSA-N 2 1 345.447 1.738 20 0 EDADMP O[C@H]1CC[N@H+](CCNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000623837945 450610844 /nfs/dbraw/zinc/61/08/44/450610844.db2.gz APXWSQSNXMDLMI-IBGZPJMESA-N 2 1 335.467 1.489 20 0 EDADMP O[C@H]1CC[N@@H+](CCNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000623837945 450610850 /nfs/dbraw/zinc/61/08/50/450610850.db2.gz APXWSQSNXMDLMI-IBGZPJMESA-N 2 1 335.467 1.489 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000631674008 450705032 /nfs/dbraw/zinc/70/50/32/450705032.db2.gz CVLZAPLEOUKSSW-LUKYLMHMSA-N 2 1 325.497 1.722 20 0 EDADMP O=S(=O)(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccn1 ZINC000629532187 450726526 /nfs/dbraw/zinc/72/65/26/450726526.db2.gz PTNPAPOVTNIPQY-CVEARBPZSA-N 2 1 337.489 1.567 20 0 EDADMP O=S(=O)(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccn1 ZINC000629532187 450726528 /nfs/dbraw/zinc/72/65/28/450726528.db2.gz PTNPAPOVTNIPQY-CVEARBPZSA-N 2 1 337.489 1.567 20 0 EDADMP Cc1cncc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000629553509 450731785 /nfs/dbraw/zinc/73/17/85/450731785.db2.gz WLCFUMVZIQVURK-KRWDZBQOSA-N 2 1 340.475 1.902 20 0 EDADMP COC[C@]1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)OCCc2ccccc21 ZINC000629580324 450747668 /nfs/dbraw/zinc/74/76/68/450747668.db2.gz QNXYCRXLAXZEFZ-MJGOQNOKSA-N 2 1 334.460 1.147 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000621511222 450751940 /nfs/dbraw/zinc/75/19/40/450751940.db2.gz UGUMCNXTTPBTEY-SJLPKXTDSA-N 2 1 332.492 1.687 20 0 EDADMP COc1ccc(Cn2nc(C)c(C[N@@H+](C)CCOCC[NH3+])c2C)cc1 ZINC000629666567 450775444 /nfs/dbraw/zinc/77/54/44/450775444.db2.gz STQMRCQTEHSATB-UHFFFAOYSA-N 2 1 346.475 1.964 20 0 EDADMP C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000635286775 450817073 /nfs/dbraw/zinc/81/70/73/450817073.db2.gz GNTHJFNJCFPLRW-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cccc4c3CCOC4)C2)nn1 ZINC000631828236 450800985 /nfs/dbraw/zinc/80/09/85/450800985.db2.gz JNWNPTPUMSXJKA-QGZVFWFLSA-N 2 1 327.432 1.647 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000632012684 450967474 /nfs/dbraw/zinc/96/74/74/450967474.db2.gz WDKYYMWWAIHIBN-MAUKXSAKSA-N 2 1 345.491 1.534 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635469554 450969913 /nfs/dbraw/zinc/96/99/13/450969913.db2.gz ARISPVHNCRHFTO-CALCHBBNSA-N 2 1 336.524 1.345 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626975479 451045399 /nfs/dbraw/zinc/04/53/99/451045399.db2.gz UTEXYGAMSXLAOD-HNNXBMFYSA-N 2 1 340.512 1.694 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000626955153 451032727 /nfs/dbraw/zinc/03/27/27/451032727.db2.gz VMXWWBXRQOESAU-RYQLBKOJSA-N 2 1 330.476 1.948 20 0 EDADMP O=C(NC1CC([NH+]2CCOCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627941895 451037928 /nfs/dbraw/zinc/03/79/28/451037928.db2.gz XPGOCFQFGIOLFI-LMDPOFIKSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(NC1CC([NH+]2CCOCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627941895 451037934 /nfs/dbraw/zinc/03/79/34/451037934.db2.gz XPGOCFQFGIOLFI-LMDPOFIKSA-N 2 1 343.471 1.488 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635543285 451038984 /nfs/dbraw/zinc/03/89/84/451038984.db2.gz ORWULOGXSOGLOF-UHFFFAOYSA-N 2 1 340.512 1.023 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000626994553 451061368 /nfs/dbraw/zinc/06/13/68/451061368.db2.gz DRLNNSBBUHGRKU-JKSUJKDBSA-N 2 1 346.479 1.502 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[NH2+]1 ZINC000627011974 451077421 /nfs/dbraw/zinc/07/74/21/451077421.db2.gz NVBOMNGUORKQMP-ZTFGCOKTSA-N 2 1 346.475 1.193 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc(N2CCCC2)[nH+]1 ZINC000627040147 451096381 /nfs/dbraw/zinc/09/63/81/451096381.db2.gz BVEFBANDFBRXJV-CZUORRHYSA-N 2 1 331.464 1.930 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC[N@H+]1C ZINC000632209332 451117818 /nfs/dbraw/zinc/11/78/18/451117818.db2.gz FIKYMLVRZJFLEG-FJIDUMEYSA-N 2 1 336.524 1.201 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000627245504 451206337 /nfs/dbraw/zinc/20/63/37/451206337.db2.gz OOFWCOXWEIKVRF-DZJNRPSUSA-N 2 1 328.460 1.653 20 0 EDADMP C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[NH2+]CCO1 ZINC000638085074 451250433 /nfs/dbraw/zinc/25/04/33/451250433.db2.gz JJXGVIZDFSYHES-HKUYNNGSSA-N 2 1 331.460 1.046 20 0 EDADMP C[C@@H](NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000638091645 451257415 /nfs/dbraw/zinc/25/74/15/451257415.db2.gz PGABUHWJUNSVPG-QAPCUYQASA-N 2 1 332.492 1.292 20 0 EDADMP Cc1cccc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC000634275037 451265303 /nfs/dbraw/zinc/26/53/03/451265303.db2.gz LXEWOZLITYMDEU-BPQIPLTHSA-N 2 1 331.460 1.405 20 0 EDADMP Cc1cccc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC000634275037 451265308 /nfs/dbraw/zinc/26/53/08/451265308.db2.gz LXEWOZLITYMDEU-BPQIPLTHSA-N 2 1 331.460 1.405 20 0 EDADMP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC000634275037 451265312 /nfs/dbraw/zinc/26/53/12/451265312.db2.gz LXEWOZLITYMDEU-BPQIPLTHSA-N 2 1 331.460 1.405 20 0 EDADMP Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC000634275037 451265316 /nfs/dbraw/zinc/26/53/16/451265316.db2.gz LXEWOZLITYMDEU-BPQIPLTHSA-N 2 1 331.460 1.405 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000638100680 451267630 /nfs/dbraw/zinc/26/76/30/451267630.db2.gz SAFGPGZQHNXKCA-KRWDZBQOSA-N 2 1 347.459 1.307 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)C[C@@H]1C ZINC000638120663 451290408 /nfs/dbraw/zinc/29/04/08/451290408.db2.gz BKRDFNSLOAKKHW-QILLFSRXSA-N 2 1 333.476 1.896 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000638135381 451308976 /nfs/dbraw/zinc/30/89/76/451308976.db2.gz UENYKMBAONDUNB-CXHZTBPHSA-N 2 1 331.460 1.660 20 0 EDADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000638136892 451310922 /nfs/dbraw/zinc/31/09/22/451310922.db2.gz OWTTWUOIMORXPM-IEBWSBKVSA-N 2 1 346.475 1.140 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638234036 451372959 /nfs/dbraw/zinc/37/29/59/451372959.db2.gz KGLICORZCCNAGA-PKOBYXMFSA-N 2 1 330.476 1.048 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638234036 451372961 /nfs/dbraw/zinc/37/29/61/451372961.db2.gz KGLICORZCCNAGA-PKOBYXMFSA-N 2 1 330.476 1.048 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC000634457331 451347827 /nfs/dbraw/zinc/34/78/27/451347827.db2.gz WHSDJDWNJBEDTH-PKOBYXMFSA-N 2 1 345.487 1.654 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000638298600 451413715 /nfs/dbraw/zinc/41/37/15/451413715.db2.gz HSXRZRTUVJHFSK-UYAOXDASSA-N 2 1 345.487 1.865 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000638298594 451413912 /nfs/dbraw/zinc/41/39/12/451413912.db2.gz HSXRZRTUVJHFSK-AZUAARDMSA-N 2 1 345.487 1.865 20 0 EDADMP O=C(Cc1cccc2c1CC[NH2+]C2)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000638329439 451437009 /nfs/dbraw/zinc/43/70/09/451437009.db2.gz QQBLZHVNFXIETJ-IBGZPJMESA-N 2 1 336.439 1.443 20 0 EDADMP CN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[C@@H](C[NH3+])C1CC1 ZINC000638332926 451438528 /nfs/dbraw/zinc/43/85/28/451438528.db2.gz SNHYAPSFRUMYDO-SFHVURJKSA-N 3 1 344.503 1.566 20 0 EDADMP COC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000634713595 451494490 /nfs/dbraw/zinc/49/44/90/451494490.db2.gz YSIICEQPUAXNNM-IPMKNSEASA-N 2 1 334.460 1.407 20 0 EDADMP COC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000634713595 451494491 /nfs/dbraw/zinc/49/44/91/451494491.db2.gz YSIICEQPUAXNNM-IPMKNSEASA-N 2 1 334.460 1.407 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCNC(=O)C3)cc2)CC1 ZINC000638368290 451467444 /nfs/dbraw/zinc/46/74/44/451467444.db2.gz VEVIIWYZQYTYMT-GOSISDBHSA-N 2 1 330.476 1.192 20 0 EDADMP Cc1[nH+]ccn1CCC[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000638386491 451479291 /nfs/dbraw/zinc/47/92/91/451479291.db2.gz NKCYCDJXKIJDHG-UHFFFAOYSA-N 2 1 328.482 1.422 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)CC(C)(C)C ZINC000638386586 451479891 /nfs/dbraw/zinc/47/98/91/451479891.db2.gz NPLQHVAPLGKITD-XHSDSOJGSA-N 2 1 325.497 1.709 20 0 EDADMP CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634710760 451489777 /nfs/dbraw/zinc/48/97/77/451489777.db2.gz DQHUGAGUTWKKBL-QRVBRYPASA-N 2 1 334.460 1.407 20 0 EDADMP CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634710760 451489779 /nfs/dbraw/zinc/48/97/79/451489779.db2.gz DQHUGAGUTWKKBL-QRVBRYPASA-N 2 1 334.460 1.407 20 0 EDADMP C[NH2+]CCCN(C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638342638 451446611 /nfs/dbraw/zinc/44/66/11/451446611.db2.gz DCHZEAJZIWXLHA-UHFFFAOYSA-N 3 1 332.492 1.438 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638343952 451448041 /nfs/dbraw/zinc/44/80/41/451448041.db2.gz OPLHXSIWIABANL-GOSISDBHSA-N 3 1 344.503 1.438 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638343952 451448048 /nfs/dbraw/zinc/44/80/48/451448048.db2.gz OPLHXSIWIABANL-GOSISDBHSA-N 2 1 344.503 1.438 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638343952 451448057 /nfs/dbraw/zinc/44/80/57/451448057.db2.gz OPLHXSIWIABANL-GOSISDBHSA-N 2 1 344.503 1.438 20 0 EDADMP C[C@H](CCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000638410302 451497475 /nfs/dbraw/zinc/49/74/75/451497475.db2.gz YQCJVIIJYHWORO-QGZVFWFLSA-N 3 1 346.519 1.826 20 0 EDADMP O[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)COCC1CC1 ZINC000634719653 451499661 /nfs/dbraw/zinc/49/96/61/451499661.db2.gz WQMLFHUSYRCLOS-MOPGFXCFSA-N 2 1 334.460 1.001 20 0 EDADMP O[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)COCC1CC1 ZINC000634719653 451499664 /nfs/dbraw/zinc/49/96/64/451499664.db2.gz WQMLFHUSYRCLOS-MOPGFXCFSA-N 2 1 334.460 1.001 20 0 EDADMP CO[C@@]1(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CCOC1 ZINC000638421706 451505451 /nfs/dbraw/zinc/50/54/51/451505451.db2.gz ZFIIGNWSJSYRDZ-VQIMIIECSA-N 2 1 334.460 1.802 20 0 EDADMP CO[C@@]1(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CCOC1 ZINC000638421706 451505454 /nfs/dbraw/zinc/50/54/54/451505454.db2.gz ZFIIGNWSJSYRDZ-VQIMIIECSA-N 2 1 334.460 1.802 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)C[NH+](C)C1CC1 ZINC000634724553 451506132 /nfs/dbraw/zinc/50/61/32/451506132.db2.gz SHVIGWZEOSXXOP-POAQFYNOSA-N 2 1 331.504 1.799 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000634724553 451506137 /nfs/dbraw/zinc/50/61/37/451506137.db2.gz SHVIGWZEOSXXOP-POAQFYNOSA-N 2 1 331.504 1.799 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000634724553 451506140 /nfs/dbraw/zinc/50/61/40/451506140.db2.gz SHVIGWZEOSXXOP-POAQFYNOSA-N 2 1 331.504 1.799 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000638425115 451508481 /nfs/dbraw/zinc/50/84/81/451508481.db2.gz HSUBFDYYNAPKQB-KSZLIROESA-N 2 1 343.471 1.521 20 0 EDADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638445245 451521100 /nfs/dbraw/zinc/52/11/00/451521100.db2.gz NBHFCCBHAHSPLA-ZWKOTPCHSA-N 2 1 343.427 1.644 20 0 EDADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638445245 451521102 /nfs/dbraw/zinc/52/11/02/451521102.db2.gz NBHFCCBHAHSPLA-ZWKOTPCHSA-N 2 1 343.427 1.644 20 0 EDADMP Cn1nc2c(c1C[NH2+]CC1CCN(CC[NH+](C)C)CC1)CCCC2 ZINC000631064591 451563656 /nfs/dbraw/zinc/56/36/56/451563656.db2.gz LUKFTUFGAITYGI-UHFFFAOYSA-N 2 1 333.524 1.662 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000638571118 451581914 /nfs/dbraw/zinc/58/19/14/451581914.db2.gz PDXYFEKCYBLWOO-WBVHZDCISA-N 2 1 339.528 1.170 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000638571118 451581918 /nfs/dbraw/zinc/58/19/18/451581918.db2.gz PDXYFEKCYBLWOO-WBVHZDCISA-N 2 1 339.528 1.170 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc3nccnc3c2)CC1 ZINC000634959446 451623505 /nfs/dbraw/zinc/62/35/05/451623505.db2.gz REWJQXYORUQRAB-UHFFFAOYSA-N 2 1 327.476 1.993 20 0 EDADMP CO[C@H]1C[C@@H](CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638809100 451698467 /nfs/dbraw/zinc/69/84/67/451698467.db2.gz PJJRMPXGGBISFU-HDICACEKSA-N 2 1 345.487 1.911 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccc4ccccc4n3)nn2)CC1 ZINC000640945449 451699734 /nfs/dbraw/zinc/69/97/34/451699734.db2.gz FQTJHPRJVMIYMD-UHFFFAOYSA-N 2 1 336.443 1.840 20 0 EDADMP C[NH+](C)CCOCCNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000637079516 451712837 /nfs/dbraw/zinc/71/28/37/451712837.db2.gz YXQMKFYUNPLBMA-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccco1 ZINC000637139403 451739315 /nfs/dbraw/zinc/73/93/15/451739315.db2.gz JYQAULOTGBSQBQ-SOUVJXGZSA-N 2 1 338.452 1.075 20 0 EDADMP CO[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1CCOC1 ZINC000638977016 451744401 /nfs/dbraw/zinc/74/44/01/451744401.db2.gz NVSGXLFPEVYVDF-GUDVDZBRSA-N 2 1 334.460 1.394 20 0 EDADMP CCCN(C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2)[C@H]1CC[N@H+](C)C1 ZINC000646767433 451829278 /nfs/dbraw/zinc/82/92/78/451829278.db2.gz YUMFKNOYYQMCTP-KRWDZBQOSA-N 2 1 344.459 1.513 20 0 EDADMP CCCN(C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2)[C@H]1CC[N@@H+](C)C1 ZINC000646767433 451829284 /nfs/dbraw/zinc/82/92/84/451829284.db2.gz YUMFKNOYYQMCTP-KRWDZBQOSA-N 2 1 344.459 1.513 20 0 EDADMP CCCN(C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[C@H]1CC[NH+](C)C1 ZINC000646767433 451829289 /nfs/dbraw/zinc/82/92/89/451829289.db2.gz YUMFKNOYYQMCTP-KRWDZBQOSA-N 2 1 344.459 1.513 20 0 EDADMP CCCN(C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[C@H]1CC[NH+](C)C1 ZINC000646767433 451829296 /nfs/dbraw/zinc/82/92/96/451829296.db2.gz YUMFKNOYYQMCTP-KRWDZBQOSA-N 2 1 344.459 1.513 20 0 EDADMP CC(C)(C)[C@@]1(C[NH+]2C[C@H](O)[C@@H](O)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639347358 451838410 /nfs/dbraw/zinc/83/84/10/451838410.db2.gz ZJQYXVRTVZCDFS-BJLQDIEVSA-N 2 1 332.488 1.962 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000653369476 451881532 /nfs/dbraw/zinc/88/15/32/451881532.db2.gz RYIBIMIDKRTOLR-INIZCTEOSA-N 2 1 340.512 1.071 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000637469278 451883954 /nfs/dbraw/zinc/88/39/54/451883954.db2.gz AASLZPMNXGUDQY-RDJZCZTQSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N[C@H]1CCC[NH+](CCCO)C1 ZINC000637469278 451883959 /nfs/dbraw/zinc/88/39/59/451883959.db2.gz AASLZPMNXGUDQY-RDJZCZTQSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N[C@H]1CCC[NH+](CCCO)C1 ZINC000637469278 451883966 /nfs/dbraw/zinc/88/39/66/451883966.db2.gz AASLZPMNXGUDQY-RDJZCZTQSA-N 2 1 338.496 1.149 20 0 EDADMP C[N@H+]1CC[C@@H](NS(=O)(=O)CCn2ccnc2)[C@H]1c1ccccc1 ZINC000641398751 451937018 /nfs/dbraw/zinc/93/70/18/451937018.db2.gz KFEBWDSUKITIAH-HZPDHXFCSA-N 2 1 334.445 1.248 20 0 EDADMP CN1CC[C@@H](NS(=O)(=O)CCn2ccnc2)[C@H]1c1ccccc1 ZINC000641398751 451937024 /nfs/dbraw/zinc/93/70/24/451937024.db2.gz KFEBWDSUKITIAH-HZPDHXFCSA-N 2 1 334.445 1.248 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646940609 451956555 /nfs/dbraw/zinc/95/65/55/451956555.db2.gz JAYOSJFVDOFMIO-ICSRJNTNSA-N 2 1 347.503 1.370 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000649295473 451971004 /nfs/dbraw/zinc/97/10/04/451971004.db2.gz OBXZVULXOSHPIP-OWCLPIDISA-N 2 1 348.495 1.300 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653476349 451974561 /nfs/dbraw/zinc/97/45/61/451974561.db2.gz COCSVIJCFMXCNG-LUKYLMHMSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653476349 451974567 /nfs/dbraw/zinc/97/45/67/451974567.db2.gz COCSVIJCFMXCNG-LUKYLMHMSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCCC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653476349 451974572 /nfs/dbraw/zinc/97/45/72/451974572.db2.gz COCSVIJCFMXCNG-LUKYLMHMSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCCC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653476349 451974579 /nfs/dbraw/zinc/97/45/79/451974579.db2.gz COCSVIJCFMXCNG-LUKYLMHMSA-N 2 1 340.512 1.658 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000649305114 451981462 /nfs/dbraw/zinc/98/14/62/451981462.db2.gz FOPVCJVMYOBPHI-ICSRJNTNSA-N 2 1 345.487 1.926 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[NH2+]CCC2(F)F)C[C@@H](C)O1 ZINC000649308134 451984552 /nfs/dbraw/zinc/98/45/52/451984552.db2.gz NZRSVMVJHUFMHR-KBXIAJHMSA-N 2 1 345.434 1.331 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000649310483 451987798 /nfs/dbraw/zinc/98/77/98/451987798.db2.gz MJKSCWOKIWDPOJ-HZPDHXFCSA-N 2 1 338.496 1.097 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)[C@]2(N)CC[N@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000649310090 451988015 /nfs/dbraw/zinc/98/80/15/451988015.db2.gz OXVWPSHGTNHNSL-MJGOQNOKSA-N 2 1 330.476 1.281 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000649321952 452002313 /nfs/dbraw/zinc/00/23/13/452002313.db2.gz ZJCLKTNNSHTKDR-BPQIPLTHSA-N 2 1 331.460 1.392 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C[C@H]1CC ZINC000649325190 452004978 /nfs/dbraw/zinc/00/49/78/452004978.db2.gz LVCHWRWRYWGYQK-ZIAGYGMSSA-N 2 1 333.423 1.191 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3cnn(C4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC000637662156 452005149 /nfs/dbraw/zinc/00/51/49/452005149.db2.gz SJOMUASWSCLNJN-WMLDXEAASA-N 2 1 346.479 1.708 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000649326552 452006288 /nfs/dbraw/zinc/00/62/88/452006288.db2.gz BNEPLCWXYJLYNO-ZHEXZJMTSA-N 2 1 335.492 1.604 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CCCCC2)CCO1 ZINC000649329752 452010813 /nfs/dbraw/zinc/01/08/13/452010813.db2.gz FWTCWTLHPCQMAB-OAGGEKHMSA-N 2 1 335.492 1.667 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cnn1C ZINC000649332034 452013516 /nfs/dbraw/zinc/01/35/16/452013516.db2.gz RWNXPIABIJBVFS-NXHRZFHOSA-N 2 1 347.507 1.126 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000649335740 452016466 /nfs/dbraw/zinc/01/64/66/452016466.db2.gz VSLUPHGRPWRSLF-ZACQAIPSSA-N 2 1 345.491 1.083 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cnn1C ZINC000649341612 452020474 /nfs/dbraw/zinc/02/04/74/452020474.db2.gz LKWRDOMFRIUXHW-NXHRZFHOSA-N 2 1 347.507 1.364 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)cc(OC)c1 ZINC000649344738 452024737 /nfs/dbraw/zinc/02/47/37/452024737.db2.gz ODXYRKMNGDDOBB-NONVJHHQSA-N 2 1 345.443 1.145 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)cc(OC)c1 ZINC000649344738 452024743 /nfs/dbraw/zinc/02/47/43/452024743.db2.gz ODXYRKMNGDDOBB-NONVJHHQSA-N 2 1 345.443 1.145 20 0 EDADMP COC[C@@]1(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649347029 452030605 /nfs/dbraw/zinc/03/06/05/452030605.db2.gz BACASPSKOFBIOT-QFBILLFUSA-N 2 1 333.476 1.782 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649363801 452043119 /nfs/dbraw/zinc/04/31/19/452043119.db2.gz ODXZUBQYRRJUOS-QZTJIDSGSA-N 2 1 336.524 1.252 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C2)cc1 ZINC000637721336 452046577 /nfs/dbraw/zinc/04/65/77/452046577.db2.gz ZRRCTQMPQVPZAW-PKOBYXMFSA-N 2 1 348.491 1.181 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC([NH+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393446 452062212 /nfs/dbraw/zinc/06/22/12/452062212.db2.gz OOJDFMOBYULREW-ZWKOTPCHSA-N 2 1 336.524 1.663 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393446 452062220 /nfs/dbraw/zinc/06/22/20/452062220.db2.gz OOJDFMOBYULREW-ZWKOTPCHSA-N 2 1 336.524 1.663 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393446 452062223 /nfs/dbraw/zinc/06/22/23/452062223.db2.gz OOJDFMOBYULREW-ZWKOTPCHSA-N 2 1 336.524 1.663 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000653675900 452072441 /nfs/dbraw/zinc/07/24/41/452072441.db2.gz XRACHGYLRYHFQW-CQSZACIVSA-N 2 1 340.493 1.147 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000653675900 452072447 /nfs/dbraw/zinc/07/24/47/452072447.db2.gz XRACHGYLRYHFQW-CQSZACIVSA-N 2 1 340.493 1.147 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649417738 452080507 /nfs/dbraw/zinc/08/05/07/452080507.db2.gz CORKFRYQAQJYKT-HZPDHXFCSA-N 2 1 333.480 1.687 20 0 EDADMP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)CC1 ZINC000639757688 452097256 /nfs/dbraw/zinc/09/72/56/452097256.db2.gz OKHHZIDNYNFJOU-UHFFFAOYSA-N 2 1 334.489 1.988 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)CC1 ZINC000639757688 452097259 /nfs/dbraw/zinc/09/72/59/452097259.db2.gz OKHHZIDNYNFJOU-UHFFFAOYSA-N 2 1 334.489 1.988 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC3(CC3(F)F)CC2)C1=O ZINC000649482331 452102958 /nfs/dbraw/zinc/10/29/58/452102958.db2.gz IUCYZDXLEJPMLR-GFCCVEGCSA-N 2 1 329.391 1.187 20 0 EDADMP COc1ncncc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000647189757 452116951 /nfs/dbraw/zinc/11/69/51/452116951.db2.gz NSNWKJZHSJPNKA-UHFFFAOYSA-N 2 1 328.420 1.651 20 0 EDADMP Cc1[nH]c2ncnc(N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)c2c1C ZINC000645174265 452192587 /nfs/dbraw/zinc/19/25/87/452192587.db2.gz RQLUNKYXNMASQM-OAHLLOKOSA-N 2 1 328.464 1.791 20 0 EDADMP COC[C@@H](C)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637952588 452199175 /nfs/dbraw/zinc/19/91/75/452199175.db2.gz OXOSIIYAMUIPAC-INIZCTEOSA-N 2 1 333.476 1.769 20 0 EDADMP Cc1[nH]c2nc[nH+]c(N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)c2c1C ZINC000645197524 452206266 /nfs/dbraw/zinc/20/62/66/452206266.db2.gz MMBOZZVRAWCZND-AWEZNQCLSA-N 2 1 342.447 1.493 20 0 EDADMP Cc1[nH]c2nc[nH+]c(N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)c2c1C ZINC000645197524 452206271 /nfs/dbraw/zinc/20/62/71/452206271.db2.gz MMBOZZVRAWCZND-AWEZNQCLSA-N 2 1 342.447 1.493 20 0 EDADMP C[N@H+]1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1(C)C ZINC000641769615 452243963 /nfs/dbraw/zinc/24/39/63/452243963.db2.gz WDVSSTUVADUBTP-UHFFFAOYSA-N 2 1 345.491 1.782 20 0 EDADMP C[NH+](C)C[C@@H](O)C[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000647516443 452251808 /nfs/dbraw/zinc/25/18/08/452251808.db2.gz UICHLDFZYUAHFX-ZDUSSCGKSA-N 2 1 344.253 1.290 20 0 EDADMP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COCc1cccs1 ZINC000647517773 452252198 /nfs/dbraw/zinc/25/21/98/452252198.db2.gz BTCFCQMKVIRENG-OAHLLOKOSA-N 2 1 328.478 1.062 20 0 EDADMP CCN(C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000663554164 452263380 /nfs/dbraw/zinc/26/33/80/452263380.db2.gz QZPAZVJJZBFLCI-ULQDDVLXSA-N 2 1 340.512 1.611 20 0 EDADMP COc1cc2[nH+]ccc(N[C@H](C)[C@@H]3C[N@H+](C)CCO3)c2cc1OC ZINC000665707871 452270308 /nfs/dbraw/zinc/27/03/08/452270308.db2.gz QASPANRQBDEJRL-XIKOKIGWSA-N 2 1 331.416 1.805 20 0 EDADMP COc1cc2[nH+]ccc(N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)c2cc1OC ZINC000665707871 452270317 /nfs/dbraw/zinc/27/03/17/452270317.db2.gz QASPANRQBDEJRL-XIKOKIGWSA-N 2 1 331.416 1.805 20 0 EDADMP O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000647538263 452270523 /nfs/dbraw/zinc/27/05/23/452270523.db2.gz KMOGYQMAGRXKKM-KRWDZBQOSA-N 2 1 337.489 1.892 20 0 EDADMP O=C(NC1CC1)c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647541635 452273290 /nfs/dbraw/zinc/27/32/90/452273290.db2.gz SSAXJAZQGGNTPJ-SFHVURJKSA-N 2 1 328.460 1.058 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000641798650 452275225 /nfs/dbraw/zinc/27/52/25/452275225.db2.gz GGQZETPMIFHZRQ-CABCVRRESA-N 2 1 347.463 1.266 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000641798650 452275231 /nfs/dbraw/zinc/27/52/31/452275231.db2.gz GGQZETPMIFHZRQ-CABCVRRESA-N 2 1 347.463 1.266 20 0 EDADMP COc1ccc(CN(C)C(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1OC ZINC000641804388 452279701 /nfs/dbraw/zinc/27/97/01/452279701.db2.gz IIHFQADFNGBHEQ-JKSUJKDBSA-N 2 1 335.448 1.378 20 0 EDADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000641805337 452282258 /nfs/dbraw/zinc/28/22/58/452282258.db2.gz NBMUYRGODUWIEQ-MGBSGCIJSA-N 2 1 347.459 1.389 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659459747 452313073 /nfs/dbraw/zinc/31/30/73/452313073.db2.gz LXYGYKMLSQKLHK-MRXNPFEDSA-N 2 1 347.507 1.576 20 0 EDADMP CCOC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665757203 452324723 /nfs/dbraw/zinc/32/47/23/452324723.db2.gz BEBYCJHREJAFHG-IRXDYDNUSA-N 2 1 342.528 1.717 20 0 EDADMP CCOC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665757203 452324729 /nfs/dbraw/zinc/32/47/29/452324729.db2.gz BEBYCJHREJAFHG-IRXDYDNUSA-N 2 1 342.528 1.717 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000665758279 452325495 /nfs/dbraw/zinc/32/54/95/452325495.db2.gz DMBKFHUAYHIHAH-KKUMJFAQSA-N 2 1 330.542 1.794 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000665758279 452325508 /nfs/dbraw/zinc/32/55/08/452325508.db2.gz DMBKFHUAYHIHAH-KKUMJFAQSA-N 2 1 330.542 1.794 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000638051797 452326570 /nfs/dbraw/zinc/32/65/70/452326570.db2.gz RHAUGTLLEXGWJE-PMPSAXMXSA-N 2 1 337.851 1.709 20 0 EDADMP COCCC1(C)CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665762690 452341271 /nfs/dbraw/zinc/34/12/71/452341271.db2.gz MXAZAVPICUCESC-HNNXBMFYSA-N 2 1 328.501 1.326 20 0 EDADMP COCCC1(C)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665762690 452341279 /nfs/dbraw/zinc/34/12/79/452341279.db2.gz MXAZAVPICUCESC-HNNXBMFYSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000665763446 452345257 /nfs/dbraw/zinc/34/52/57/452345257.db2.gz AXCOSIFKIRNWMF-INIZCTEOSA-N 3 1 341.544 1.432 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000665763446 452345262 /nfs/dbraw/zinc/34/52/62/452345262.db2.gz AXCOSIFKIRNWMF-INIZCTEOSA-N 3 1 341.544 1.432 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@@H](CO)C1 ZINC000665764127 452349503 /nfs/dbraw/zinc/34/95/03/452349503.db2.gz VOPHKUSZDNKACC-XHSDSOJGSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@@H](CO)C1 ZINC000665764127 452349516 /nfs/dbraw/zinc/34/95/16/452349516.db2.gz VOPHKUSZDNKACC-XHSDSOJGSA-N 2 1 328.501 1.109 20 0 EDADMP COc1nccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)n1 ZINC000657595506 452363634 /nfs/dbraw/zinc/36/36/34/452363634.db2.gz IESRSPALGPBDGE-KRWDZBQOSA-N 2 1 328.416 1.342 20 0 EDADMP COc1nccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)n1 ZINC000657595506 452363637 /nfs/dbraw/zinc/36/36/37/452363637.db2.gz IESRSPALGPBDGE-KRWDZBQOSA-N 2 1 328.416 1.342 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000638073210 452383665 /nfs/dbraw/zinc/38/36/65/452383665.db2.gz MFZBEZSCOAWOCB-RVSPLBMKSA-N 2 1 337.489 1.378 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000638073210 452383674 /nfs/dbraw/zinc/38/36/74/452383674.db2.gz MFZBEZSCOAWOCB-RVSPLBMKSA-N 2 1 337.489 1.378 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638079354 452395645 /nfs/dbraw/zinc/39/56/45/452395645.db2.gz SMIXFGGDAIPPIQ-ROUUACIJSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638079354 452395661 /nfs/dbraw/zinc/39/56/61/452395661.db2.gz SMIXFGGDAIPPIQ-ROUUACIJSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638079354 452395675 /nfs/dbraw/zinc/39/56/75/452395675.db2.gz SMIXFGGDAIPPIQ-ROUUACIJSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638079354 452395682 /nfs/dbraw/zinc/39/56/82/452395682.db2.gz SMIXFGGDAIPPIQ-ROUUACIJSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638079354 452395695 /nfs/dbraw/zinc/39/56/95/452395695.db2.gz SMIXFGGDAIPPIQ-ROUUACIJSA-N 2 1 332.492 1.292 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652212739 452406207 /nfs/dbraw/zinc/40/62/07/452406207.db2.gz NFSOQXDUCVFQCQ-GOSISDBHSA-N 2 1 344.503 1.944 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652212739 452406213 /nfs/dbraw/zinc/40/62/13/452406213.db2.gz NFSOQXDUCVFQCQ-GOSISDBHSA-N 2 1 344.503 1.944 20 0 EDADMP [NH3+]CC1(CCNC(=O)N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000652242692 452428942 /nfs/dbraw/zinc/42/89/42/452428942.db2.gz FYMJLNBUXRLPRG-UHFFFAOYSA-N 2 1 336.505 1.747 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659577559 452432377 /nfs/dbraw/zinc/43/23/77/452432377.db2.gz SRAPVESYKLTEFE-KZNAEPCWSA-N 2 1 330.476 1.868 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000654389325 452442491 /nfs/dbraw/zinc/44/24/91/452442491.db2.gz PZCWSZGBKQJXAJ-INIZCTEOSA-N 2 1 345.447 1.605 20 0 EDADMP COC[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CC[NH2+]C1 ZINC000645473517 452443680 /nfs/dbraw/zinc/44/36/80/452443680.db2.gz RHJAEOXTEDQGLJ-HXUWFJFHSA-N 2 1 345.487 1.655 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659603245 452459339 /nfs/dbraw/zinc/45/93/39/452459339.db2.gz XVKWQZFZUIMHIC-SJLPKXTDSA-N 2 1 349.523 1.083 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645512474 452479746 /nfs/dbraw/zinc/47/97/46/452479746.db2.gz HVOQVZKHGAQCAJ-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654427200 452480403 /nfs/dbraw/zinc/48/04/03/452480403.db2.gz CSZMMHPKYFVEMB-HRCADAONSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654427200 452480415 /nfs/dbraw/zinc/48/04/15/452480415.db2.gz CSZMMHPKYFVEMB-HRCADAONSA-N 2 1 340.512 1.515 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)NC(C2CC2)C2CC2)C1 ZINC000652361901 452542761 /nfs/dbraw/zinc/54/27/61/452542761.db2.gz SDYFFHHQNBFEIZ-BRWVUGGUSA-N 2 1 335.492 1.652 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363572 452545636 /nfs/dbraw/zinc/54/56/36/452545636.db2.gz IFBPJFGDEJVHNR-UJMXGEILSA-N 3 1 347.503 1.278 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1C ZINC000654479216 452547463 /nfs/dbraw/zinc/54/74/63/452547463.db2.gz SFQPITILPJTFFN-GJZGRUSLSA-N 2 1 334.468 1.302 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)n1C ZINC000654479216 452547471 /nfs/dbraw/zinc/54/74/71/452547471.db2.gz SFQPITILPJTFFN-GJZGRUSLSA-N 2 1 334.468 1.302 20 0 EDADMP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000647826238 452561798 /nfs/dbraw/zinc/56/17/98/452561798.db2.gz HZLBUMNOTRSRKM-ZBFHGGJFSA-N 2 1 347.459 1.176 20 0 EDADMP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000647826238 452561800 /nfs/dbraw/zinc/56/18/00/452561800.db2.gz HZLBUMNOTRSRKM-ZBFHGGJFSA-N 2 1 347.459 1.176 20 0 EDADMP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655766473 452567590 /nfs/dbraw/zinc/56/75/90/452567590.db2.gz RHYOSNQCNWTKTF-IXDOHACOSA-N 2 1 328.497 1.377 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000659699357 452583865 /nfs/dbraw/zinc/58/38/65/452583865.db2.gz RNZWUNHHBQGUSR-JKSUJKDBSA-N 2 1 340.512 1.104 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCc1ccc(O)cc1 ZINC000663887111 452610975 /nfs/dbraw/zinc/61/09/75/452610975.db2.gz FELOBZAMPPKBNS-HNNXBMFYSA-N 2 1 336.480 1.506 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCc1ccc(O)cc1 ZINC000663887111 452610983 /nfs/dbraw/zinc/61/09/83/452610983.db2.gz FELOBZAMPPKBNS-HNNXBMFYSA-N 2 1 336.480 1.506 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CC1 ZINC000661880564 452645825 /nfs/dbraw/zinc/64/58/25/452645825.db2.gz PPLSSWUZSLMONW-BZSNNMDCSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CC1 ZINC000661880564 452645834 /nfs/dbraw/zinc/64/58/34/452645834.db2.gz PPLSSWUZSLMONW-BZSNNMDCSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000657969234 452649029 /nfs/dbraw/zinc/64/90/29/452649029.db2.gz KPFMCOCFLHVJDN-YJBOKZPZSA-N 2 1 329.448 1.413 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654566358 452650782 /nfs/dbraw/zinc/65/07/82/452650782.db2.gz AKCOCQMDWPEIAV-YHUYYLMFSA-N 2 1 328.501 1.512 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654566358 452650784 /nfs/dbraw/zinc/65/07/84/452650784.db2.gz AKCOCQMDWPEIAV-YHUYYLMFSA-N 2 1 328.501 1.512 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654566358 452650788 /nfs/dbraw/zinc/65/07/88/452650788.db2.gz AKCOCQMDWPEIAV-YHUYYLMFSA-N 2 1 328.501 1.512 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654566358 452650790 /nfs/dbraw/zinc/65/07/90/452650790.db2.gz AKCOCQMDWPEIAV-YHUYYLMFSA-N 2 1 328.501 1.512 20 0 EDADMP CCn1ccnc1C[N@H+](CCC(=O)N(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000647918846 452656160 /nfs/dbraw/zinc/65/61/60/452656160.db2.gz QUQARRHLOKOCRF-OAHLLOKOSA-N 2 1 333.480 1.325 20 0 EDADMP CCn1ccnc1C[N@@H+](CCC(=O)N(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000647918846 452656165 /nfs/dbraw/zinc/65/61/65/452656165.db2.gz QUQARRHLOKOCRF-OAHLLOKOSA-N 2 1 333.480 1.325 20 0 EDADMP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655911446 452668008 /nfs/dbraw/zinc/66/80/08/452668008.db2.gz JJHDBRWRVMFZJF-ZIAGYGMSSA-N 2 1 344.381 1.840 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)NCC[N@@H+](C)C2CCCC2)CCO1 ZINC000664006674 452708302 /nfs/dbraw/zinc/70/83/02/452708302.db2.gz KHDNPYSVDBMPHS-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000661954222 452714185 /nfs/dbraw/zinc/71/41/85/452714185.db2.gz WANGODIVNANKDT-KRWDZBQOSA-N 2 1 338.496 1.225 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975675 452720788 /nfs/dbraw/zinc/72/07/88/452720788.db2.gz DMTWYGOKKLJCEP-ULQDDVLXSA-N 2 1 325.497 1.629 20 0 EDADMP COc1ccc(COCC[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000647985870 452729266 /nfs/dbraw/zinc/72/92/66/452729266.db2.gz QLTVICQHAAYQFR-KRWDZBQOSA-N 2 1 334.460 1.899 20 0 EDADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658146936 452755330 /nfs/dbraw/zinc/75/53/30/452755330.db2.gz WOMIFPUHFLZNBQ-APWZRJJASA-N 2 1 347.503 1.990 20 0 EDADMP C[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656497 452770175 /nfs/dbraw/zinc/77/01/75/452770175.db2.gz VFEKNEUTJHMXPZ-HRCADAONSA-N 2 1 342.528 1.904 20 0 EDADMP C[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656497 452770176 /nfs/dbraw/zinc/77/01/76/452770176.db2.gz VFEKNEUTJHMXPZ-HRCADAONSA-N 2 1 342.528 1.904 20 0 EDADMP CCCN(Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CC[N@H+](C)C1 ZINC000648056676 452786868 /nfs/dbraw/zinc/78/68/68/452786868.db2.gz RPQUVXOLBGJTGX-QGZVFWFLSA-N 2 1 332.496 1.145 20 0 EDADMP CCCN(Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CC[N@@H+](C)C1 ZINC000648056676 452786874 /nfs/dbraw/zinc/78/68/74/452786874.db2.gz RPQUVXOLBGJTGX-QGZVFWFLSA-N 2 1 332.496 1.145 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn2cc[nH+]c12 ZINC000652632343 452789517 /nfs/dbraw/zinc/78/95/17/452789517.db2.gz QODAYUNCPSJTCB-UGSOOPFHSA-N 2 1 341.415 1.169 20 0 EDADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654729494 452848251 /nfs/dbraw/zinc/84/82/51/452848251.db2.gz UAFUBLMAMGXHFO-IAGOWNOFSA-N 3 1 339.528 1.138 20 0 EDADMP CC[N@@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000652700161 452849249 /nfs/dbraw/zinc/84/92/49/452849249.db2.gz MBCSYVGJGWIENF-MRXNPFEDSA-N 2 1 338.496 1.001 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC[N@H+]2C2CC2)c1 ZINC000648161578 452872534 /nfs/dbraw/zinc/87/25/34/452872534.db2.gz NBAMYTHYGXMXMP-MTHXSQLBSA-N 2 1 341.455 1.555 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)C2)C1 ZINC000662140545 452875973 /nfs/dbraw/zinc/87/59/73/452875973.db2.gz INMHNJPWIJVLSO-QUCCMNQESA-N 2 1 342.487 1.998 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000662140545 452875982 /nfs/dbraw/zinc/87/59/82/452875982.db2.gz INMHNJPWIJVLSO-QUCCMNQESA-N 2 1 342.487 1.998 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)C2)C1 ZINC000662140545 452875990 /nfs/dbraw/zinc/87/59/90/452875990.db2.gz INMHNJPWIJVLSO-QUCCMNQESA-N 2 1 342.487 1.998 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)C1CCC([NH3+])CC1 ZINC000648175912 452886428 /nfs/dbraw/zinc/88/64/28/452886428.db2.gz DNAWCETZOICHKL-VLWBHCEFSA-N 2 1 347.507 1.779 20 0 EDADMP Cc1cc(NCC[N@@H+](C)CCC[NH+](C)C)nc(-c2ccncc2)n1 ZINC000664248170 452927854 /nfs/dbraw/zinc/92/78/54/452927854.db2.gz XIRTUCOBXFAZNI-UHFFFAOYSA-N 3 1 328.464 1.564 20 0 EDADMP Cc1cc(NCC[N@H+](C)CCC[NH+](C)C)nc(-c2ccncc2)n1 ZINC000664248170 452927858 /nfs/dbraw/zinc/92/78/58/452927858.db2.gz XIRTUCOBXFAZNI-UHFFFAOYSA-N 3 1 328.464 1.564 20 0 EDADMP C[C@@]1(c2cccc(F)c2)CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000650708611 452945780 /nfs/dbraw/zinc/94/57/80/452945780.db2.gz HCOPAQLVSPAUNC-DNVCBOLYSA-N 2 1 333.451 1.986 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)CC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977878 452964550 /nfs/dbraw/zinc/96/45/50/452964550.db2.gz MIYIOTVAGMHEMP-HKUYNNGSSA-N 2 1 344.503 1.751 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)CC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977878 452964563 /nfs/dbraw/zinc/96/45/63/452964563.db2.gz MIYIOTVAGMHEMP-HKUYNNGSSA-N 2 1 344.503 1.751 20 0 EDADMP c1nnc([C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)[nH]1 ZINC000656261717 452995733 /nfs/dbraw/zinc/99/57/33/452995733.db2.gz DKZPNDIHAUGTKM-ROUUACIJSA-N 2 1 341.459 1.780 20 0 EDADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000662276464 453001676 /nfs/dbraw/zinc/00/16/76/453001676.db2.gz JBIXPKRWDCSCFN-JKSUJKDBSA-N 2 1 345.491 1.705 20 0 EDADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000662276457 453002448 /nfs/dbraw/zinc/00/24/48/453002448.db2.gz JBIXPKRWDCSCFN-CVEARBPZSA-N 2 1 345.491 1.705 20 0 EDADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662283651 453007862 /nfs/dbraw/zinc/00/78/62/453007862.db2.gz COAMOMRQYQSORV-INIZCTEOSA-N 2 1 341.377 1.833 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291829 453014586 /nfs/dbraw/zinc/01/45/86/453014586.db2.gz ADZIKEWQCMMTQY-AABGKKOBSA-N 3 1 331.504 1.629 20 0 EDADMP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291829 453014594 /nfs/dbraw/zinc/01/45/94/453014594.db2.gz ADZIKEWQCMMTQY-AABGKKOBSA-N 2 1 331.504 1.629 20 0 EDADMP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291829 453014601 /nfs/dbraw/zinc/01/46/01/453014601.db2.gz ADZIKEWQCMMTQY-AABGKKOBSA-N 2 1 331.504 1.629 20 0 EDADMP Cn1cc(N2CC[C@H]([N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000662292275 453014892 /nfs/dbraw/zinc/01/48/92/453014892.db2.gz CVAHYHYKCWDOKI-RDJZCZTQSA-N 2 1 331.464 1.237 20 0 EDADMP CCCCOCCNC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295566 453018861 /nfs/dbraw/zinc/01/88/61/453018861.db2.gz GWPCOOOVLRWTOO-QGZVFWFLSA-N 2 1 325.497 1.631 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)[C@@H]1CCC[NH3+] ZINC000662313606 453030828 /nfs/dbraw/zinc/03/08/28/453030828.db2.gz JJHPXZUOZMIKDY-TVFCKZIOSA-N 2 1 337.508 1.996 20 0 EDADMP O=C(C1C[NH+](C2CCCCC2)C1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000654920307 453035512 /nfs/dbraw/zinc/03/55/12/453035512.db2.gz LAYFLFOHPDLPDL-IBGZPJMESA-N 2 1 349.519 1.964 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000654923369 453038126 /nfs/dbraw/zinc/03/81/26/453038126.db2.gz MRVREXDDBQIUDF-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000654923369 453038131 /nfs/dbraw/zinc/03/81/31/453038131.db2.gz MRVREXDDBQIUDF-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000654923369 453038140 /nfs/dbraw/zinc/03/81/40/453038140.db2.gz MRVREXDDBQIUDF-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CN(c3ccccc3)CCO2)CCO1 ZINC000662326576 453046139 /nfs/dbraw/zinc/04/61/39/453046139.db2.gz WEDNZFXDOHEESG-WOJBJXKFSA-N 2 1 347.503 1.934 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CN(c3ccccc3)CCO2)CCO1 ZINC000662326576 453046145 /nfs/dbraw/zinc/04/61/45/453046145.db2.gz WEDNZFXDOHEESG-WOJBJXKFSA-N 2 1 347.503 1.934 20 0 EDADMP Cn1nccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328151 453048326 /nfs/dbraw/zinc/04/83/26/453048326.db2.gz ZIGLVPDQYYQJQC-UHFFFAOYSA-N 2 1 328.464 1.990 20 0 EDADMP Cc1csc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662336761 453054181 /nfs/dbraw/zinc/05/41/81/453054181.db2.gz GMBUAVLQWUZAFA-AWEZNQCLSA-N 2 1 346.504 1.964 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC000660151163 453082109 /nfs/dbraw/zinc/08/21/09/453082109.db2.gz PPKILIAPPABKHY-LJQANCHMSA-N 2 1 340.556 1.178 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)CN1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000660151163 453082113 /nfs/dbraw/zinc/08/21/13/453082113.db2.gz PPKILIAPPABKHY-LJQANCHMSA-N 2 1 340.556 1.178 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000660151163 453082118 /nfs/dbraw/zinc/08/21/18/453082118.db2.gz PPKILIAPPABKHY-LJQANCHMSA-N 2 1 340.556 1.178 20 0 EDADMP CC(C)(CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000654967212 453084485 /nfs/dbraw/zinc/08/44/85/453084485.db2.gz BMMQFYGDBSTHJR-GOSISDBHSA-N 2 1 345.487 1.424 20 0 EDADMP CC(C)(CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000654967212 453084488 /nfs/dbraw/zinc/08/44/88/453084488.db2.gz BMMQFYGDBSTHJR-GOSISDBHSA-N 2 1 345.487 1.424 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000664537547 453176860 /nfs/dbraw/zinc/17/68/60/453176860.db2.gz OGUCXQFVBAKHRO-MRXNPFEDSA-N 2 1 339.528 1.184 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662527647 453248617 /nfs/dbraw/zinc/24/86/17/453248617.db2.gz XGVSWMWZXUXEPQ-LJQANCHMSA-N 2 1 344.503 1.611 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)[NH+]1CCOCC1 ZINC000653107300 453290029 /nfs/dbraw/zinc/29/00/29/453290029.db2.gz CROOPLKFDIWTBS-SQNIBIBYSA-N 2 1 337.508 1.770 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+]CC3)c2)CCO1 ZINC000653112624 453299206 /nfs/dbraw/zinc/29/92/06/453299206.db2.gz DNRLAAXBOGGDPO-APWZRJJASA-N 2 1 345.487 1.913 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+]CC3)c2)CCO1 ZINC000653112624 453299218 /nfs/dbraw/zinc/29/92/18/453299218.db2.gz DNRLAAXBOGGDPO-APWZRJJASA-N 2 1 345.487 1.913 20 0 EDADMP CC(C)[NH2+]CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662578584 453304689 /nfs/dbraw/zinc/30/46/89/453304689.db2.gz RTRKLLGSOVMSRI-UHFFFAOYSA-N 2 1 333.480 1.581 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)CC[N@H+]1C ZINC000648857572 453334712 /nfs/dbraw/zinc/33/47/12/453334712.db2.gz FZLBTYGMDWMYMC-ATZDWAIDSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC[NH+]1C ZINC000648857572 453334719 /nfs/dbraw/zinc/33/47/19/453334719.db2.gz FZLBTYGMDWMYMC-ATZDWAIDSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC[NH+]1C ZINC000648857572 453334728 /nfs/dbraw/zinc/33/47/28/453334728.db2.gz FZLBTYGMDWMYMC-ATZDWAIDSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000667054829 453371362 /nfs/dbraw/zinc/37/13/62/453371362.db2.gz WWRMAEIIXUKZRA-YOEHRIQHSA-N 2 1 332.448 1.977 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000664756839 453381397 /nfs/dbraw/zinc/38/13/97/453381397.db2.gz XWFUCVMYEBIECX-HZPDHXFCSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCCO1 ZINC000664756839 453381400 /nfs/dbraw/zinc/38/14/00/453381400.db2.gz XWFUCVMYEBIECX-HZPDHXFCSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCCO1 ZINC000664756839 453381404 /nfs/dbraw/zinc/38/14/04/453381404.db2.gz XWFUCVMYEBIECX-HZPDHXFCSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H]([NH3+])CNC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000667066858 453382631 /nfs/dbraw/zinc/38/26/31/453382631.db2.gz IOPUFBCJUDWUAL-AWEZNQCLSA-N 2 1 345.447 1.442 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000662668941 453383080 /nfs/dbraw/zinc/38/30/80/453383080.db2.gz TZAZXAJWGKNKKP-WTXIUTQJSA-N 2 1 333.476 1.324 20 0 EDADMP CCC(C)(C)[NH+]1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000655271186 453390095 /nfs/dbraw/zinc/39/00/95/453390095.db2.gz VCSFDUMGUPHVLD-UHFFFAOYSA-N 2 1 325.497 1.822 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662687650 453408810 /nfs/dbraw/zinc/40/88/10/453408810.db2.gz IRAVHFRYNIRPBT-GFCCVEGCSA-N 2 1 331.420 1.713 20 0 EDADMP [NH3+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000667112117 453411201 /nfs/dbraw/zinc/41/12/01/453411201.db2.gz XHUHYHCTGVUBNN-INIZCTEOSA-N 2 1 330.432 1.217 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000662694443 453414724 /nfs/dbraw/zinc/41/47/24/453414724.db2.gz WIQKZIHIBDQQJM-KURKYZTESA-N 2 1 331.460 1.521 20 0 EDADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000651295860 453443402 /nfs/dbraw/zinc/44/34/02/453443402.db2.gz QSGWFJMELWCKSJ-KURKYZTESA-N 2 1 335.492 1.334 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662749549 453480430 /nfs/dbraw/zinc/48/04/30/453480430.db2.gz JLRVYZBJHMDDSN-DZGCQCFKSA-N 2 1 333.398 1.719 20 0 EDADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660658095 453492335 /nfs/dbraw/zinc/49/23/35/453492335.db2.gz BUJBXZZXFIVVBF-HNAYVOBHSA-N 2 1 348.443 1.573 20 0 EDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660658095 453492342 /nfs/dbraw/zinc/49/23/42/453492342.db2.gz BUJBXZZXFIVVBF-HNAYVOBHSA-N 2 1 348.443 1.573 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660658095 453492351 /nfs/dbraw/zinc/49/23/51/453492351.db2.gz BUJBXZZXFIVVBF-HNAYVOBHSA-N 2 1 348.443 1.573 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660658095 453492357 /nfs/dbraw/zinc/49/23/57/453492357.db2.gz BUJBXZZXFIVVBF-HNAYVOBHSA-N 2 1 348.443 1.573 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655446119 453534314 /nfs/dbraw/zinc/53/43/14/453534314.db2.gz CUUGORUDENVMHI-HLNWXESRSA-N 2 1 348.535 1.393 20 0 EDADMP CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000667293943 453540959 /nfs/dbraw/zinc/54/09/59/453540959.db2.gz UATVAZFHLQXIEW-SFHVURJKSA-N 2 1 347.507 1.006 20 0 EDADMP CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000667293943 453540966 /nfs/dbraw/zinc/54/09/66/453540966.db2.gz UATVAZFHLQXIEW-SFHVURJKSA-N 2 1 347.507 1.006 20 0 EDADMP CC[N@H+]1CCCN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659032735 453590055 /nfs/dbraw/zinc/59/00/55/453590055.db2.gz GYFLTENBIMCQQU-KRWDZBQOSA-N 2 1 332.448 1.907 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899094 453593278 /nfs/dbraw/zinc/59/32/78/453593278.db2.gz BDGXCMIIVWDQSP-JENIJYKNSA-N 2 1 336.524 1.521 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899094 453593283 /nfs/dbraw/zinc/59/32/83/453593283.db2.gz BDGXCMIIVWDQSP-JENIJYKNSA-N 2 1 336.524 1.521 20 0 EDADMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(N2CCOCC2)c1 ZINC000665290886 453637925 /nfs/dbraw/zinc/63/79/25/453637925.db2.gz NTJWZDKNZFBPMA-ZDUSSCGKSA-N 2 1 343.431 1.328 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000663003137 453643437 /nfs/dbraw/zinc/64/34/37/453643437.db2.gz JYINMWQBERZIEW-KRWDZBQOSA-N 2 1 345.491 1.200 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000663003296 453643768 /nfs/dbraw/zinc/64/37/68/453643768.db2.gz LISKOHMVEKLLKM-HIFRSBDPSA-N 2 1 333.398 1.767 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000659114275 453645177 /nfs/dbraw/zinc/64/51/77/453645177.db2.gz MLIVSUJLGUAMQF-LSDHHAIUSA-N 2 1 346.475 1.581 20 0 EDADMP C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000661010048 453679545 /nfs/dbraw/zinc/67/95/45/453679545.db2.gz OUICJDKDNAIWRG-YOEHRIQHSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000661036115 453689125 /nfs/dbraw/zinc/68/91/25/453689125.db2.gz DZRPKKNFZNOQGR-CVEARBPZSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000661036115 453689127 /nfs/dbraw/zinc/68/91/27/453689127.db2.gz DZRPKKNFZNOQGR-CVEARBPZSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000661036115 453689129 /nfs/dbraw/zinc/68/91/29/453689129.db2.gz DZRPKKNFZNOQGR-CVEARBPZSA-N 2 1 339.528 1.184 20 0 EDADMP [NH3+]C[C@H](NC(=O)c1sc2c(c1Br)C[NH2+]C2)C1CC1 ZINC000659291263 453704389 /nfs/dbraw/zinc/70/43/89/453704389.db2.gz RKYOSRWYNBOGIW-QMMMGPOBSA-N 2 1 330.251 1.581 20 0 EDADMP O=C(NC[C@H]1CCCC[NH2+]1)c1sc2c(c1Br)C[NH2+]C2 ZINC000659291909 453705065 /nfs/dbraw/zinc/70/50/65/453705065.db2.gz AKYAJURHINHURD-MRVPVSSYSA-N 2 1 344.278 1.986 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661202247 453756279 /nfs/dbraw/zinc/75/62/79/453756279.db2.gz ZSSGPASBVARJAQ-DOTOQJQBSA-N 2 1 340.512 1.659 20 0 EDADMP c1nc(N[C@H]2CC[NH+](C3CC3)C2)cc(N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000663425751 453794708 /nfs/dbraw/zinc/79/47/08/453794708.db2.gz SDEHSIVJTJLOGD-KBPBESRZSA-N 2 1 328.464 1.774 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3nc4c(s3)C[NH2+]CC4)CC2)C1 ZINC000663495812 453810303 /nfs/dbraw/zinc/81/03/03/453810303.db2.gz BDAGEKHLTVUERU-UKRRQHHQSA-N 3 1 336.505 1.507 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000680012729 486695056 /nfs/dbraw/zinc/69/50/56/486695056.db2.gz VRUTXFILVZWQGQ-PKOBYXMFSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COC1(C)C[NH2+]C1 ZINC000382762543 486695591 /nfs/dbraw/zinc/69/55/91/486695591.db2.gz LXDDNCFQOZPXSP-KRWDZBQOSA-N 2 1 331.460 1.345 20 0 EDADMP Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000680188997 486716785 /nfs/dbraw/zinc/71/67/85/486716785.db2.gz BLXSKYZCZRYTAF-GFCCVEGCSA-N 2 1 342.447 1.916 20 0 EDADMP C[NH2+]CCN(C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417186770 486794605 /nfs/dbraw/zinc/79/46/05/486794605.db2.gz XBXFENBQNLSABC-UHFFFAOYSA-N 2 1 340.418 1.790 20 0 EDADMP C[C@@H](NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000672932729 486845351 /nfs/dbraw/zinc/84/53/51/486845351.db2.gz DVNXCFCPFAFYSJ-CQSZACIVSA-N 2 1 328.501 1.061 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000667812555 486977657 /nfs/dbraw/zinc/97/76/57/486977657.db2.gz PYMMXJHWGZGVJQ-HZPDHXFCSA-N 2 1 347.507 1.389 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000667812555 486977662 /nfs/dbraw/zinc/97/76/62/486977662.db2.gz PYMMXJHWGZGVJQ-HZPDHXFCSA-N 2 1 347.507 1.389 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000667812555 486977669 /nfs/dbraw/zinc/97/76/69/486977669.db2.gz PYMMXJHWGZGVJQ-HZPDHXFCSA-N 2 1 347.507 1.389 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000667951217 487028306 /nfs/dbraw/zinc/02/83/06/487028306.db2.gz DOBMEOPMYNYOFA-LJQANCHMSA-N 2 1 345.487 1.662 20 0 EDADMP COCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000667951217 487028308 /nfs/dbraw/zinc/02/83/08/487028308.db2.gz DOBMEOPMYNYOFA-LJQANCHMSA-N 2 1 345.487 1.662 20 0 EDADMP COCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000667951217 487028315 /nfs/dbraw/zinc/02/83/15/487028315.db2.gz DOBMEOPMYNYOFA-LJQANCHMSA-N 2 1 345.487 1.662 20 0 EDADMP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC000677332252 487046922 /nfs/dbraw/zinc/04/69/22/487046922.db2.gz ARDSVRYRJUIJCP-QZTJIDSGSA-N 2 1 334.508 1.844 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC([NH+](C)C)CC1)n2C ZINC000673839143 487127887 /nfs/dbraw/zinc/12/78/87/487127887.db2.gz ZMVBKBHTKUTDGV-UHFFFAOYSA-N 2 1 330.436 1.201 20 0 EDADMP C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685469533 487280421 /nfs/dbraw/zinc/28/04/21/487280421.db2.gz LETDUPFXRFUHRI-MRXNPFEDSA-N 2 1 331.460 1.872 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000685768209 487320905 /nfs/dbraw/zinc/32/09/05/487320905.db2.gz BPDUMFVWKCUWAG-CYBMUJFWSA-N 2 1 344.419 1.051 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000685768209 487320910 /nfs/dbraw/zinc/32/09/10/487320910.db2.gz BPDUMFVWKCUWAG-CYBMUJFWSA-N 2 1 344.419 1.051 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531062324 487348304 /nfs/dbraw/zinc/34/83/04/487348304.db2.gz NXIADHBTVWDQJB-QFBILLFUSA-N 2 1 333.476 1.470 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)c1 ZINC000675995789 487464240 /nfs/dbraw/zinc/46/42/40/487464240.db2.gz UTFKREWXUMPOON-INIZCTEOSA-N 2 1 345.491 1.952 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000669521665 485491194 /nfs/dbraw/zinc/49/11/94/485491194.db2.gz DVQWTFZNPDWAIC-NXHRZFHOSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538612 485520873 /nfs/dbraw/zinc/52/08/73/485520873.db2.gz ZKAFNDQYFZKJDF-YVSFHVDLSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538612 485520883 /nfs/dbraw/zinc/52/08/83/485520883.db2.gz ZKAFNDQYFZKJDF-YVSFHVDLSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000669552595 485546492 /nfs/dbraw/zinc/54/64/92/485546492.db2.gz CHBSHYLOFMBRKN-HLLBOEOZSA-N 2 1 334.464 1.265 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000669221000 485825115 /nfs/dbraw/zinc/82/51/15/485825115.db2.gz LRAHUPHCZUFXDP-MRXNPFEDSA-N 2 1 340.512 1.071 20 0 EDADMP CN(C(=O)c1onc2c1CCCC2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668618709 485959810 /nfs/dbraw/zinc/95/98/10/485959810.db2.gz UDCINOHTBFQRPX-OAHLLOKOSA-N 2 1 346.475 1.794 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669366064 486013043 /nfs/dbraw/zinc/01/30/43/486013043.db2.gz VAAXHUJIARLCAC-YYIAUSFCSA-N 2 1 340.512 1.502 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000672844051 486039336 /nfs/dbraw/zinc/03/93/36/486039336.db2.gz SRHDEQCIXLITBV-IYBDPMFKSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672844051 486039339 /nfs/dbraw/zinc/03/93/39/486039339.db2.gz SRHDEQCIXLITBV-IYBDPMFKSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672844051 486039345 /nfs/dbraw/zinc/03/93/45/486039345.db2.gz SRHDEQCIXLITBV-IYBDPMFKSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000175084492 533892836 /nfs/dbraw/zinc/89/28/36/533892836.db2.gz YWYKOQORELGEOH-QRQLOZEOSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000175084492 533892841 /nfs/dbraw/zinc/89/28/41/533892841.db2.gz YWYKOQORELGEOH-QRQLOZEOSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000175084492 533892849 /nfs/dbraw/zinc/89/28/49/533892849.db2.gz YWYKOQORELGEOH-QRQLOZEOSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000175084492 533892856 /nfs/dbraw/zinc/89/28/56/533892856.db2.gz YWYKOQORELGEOH-QRQLOZEOSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)(CNC(=O)C[NH2+]C[C@H]1CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000164922391 527107254 /nfs/dbraw/zinc/10/72/54/527107254.db2.gz QJSYGUUBFXIKKB-GOSISDBHSA-N 2 1 345.487 1.708 20 0 EDADMP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000174481592 527832740 /nfs/dbraw/zinc/83/27/40/527832740.db2.gz WLPSYESYULBANU-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000174481592 527832746 /nfs/dbraw/zinc/83/27/46/527832746.db2.gz WLPSYESYULBANU-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000174481592 527832752 /nfs/dbraw/zinc/83/27/52/527832752.db2.gz WLPSYESYULBANU-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000174481592 527832758 /nfs/dbraw/zinc/83/27/58/527832758.db2.gz WLPSYESYULBANU-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000183903955 528537138 /nfs/dbraw/zinc/53/71/38/528537138.db2.gz KNBCBMBBCWWRRH-HNNXBMFYSA-N 2 1 338.452 1.030 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000345854996 535200142 /nfs/dbraw/zinc/20/01/42/535200142.db2.gz XYGVLTHPXATLLN-OTWHNJEPSA-N 2 1 339.524 1.264 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000339946987 535575037 /nfs/dbraw/zinc/57/50/37/535575037.db2.gz SCZSJRDUTYEWRD-IAGOWNOFSA-N 2 1 341.544 1.288 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236939220 535691909 /nfs/dbraw/zinc/69/19/09/535691909.db2.gz WUGCAMBCVNHNSF-SQNIBIBYSA-N 2 1 336.524 1.441 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000346996093 535706035 /nfs/dbraw/zinc/70/60/35/535706035.db2.gz VMRJXJZBUDHUJU-JKSUJKDBSA-N 2 1 326.529 1.543 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000077827923 536129739 /nfs/dbraw/zinc/12/97/39/536129739.db2.gz RYDWKYQWHNQBGD-GOSISDBHSA-N 2 1 348.491 1.181 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CCSC1 ZINC000353327375 536142449 /nfs/dbraw/zinc/14/24/49/536142449.db2.gz NQHAIDMJRFSARF-YCPHGPKFSA-N 2 1 326.510 1.159 20 0 EDADMP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264193176 536431622 /nfs/dbraw/zinc/43/16/22/536431622.db2.gz CHVPVHMCZISFEN-MJGOQNOKSA-N 2 1 344.503 1.385 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264193176 536431624 /nfs/dbraw/zinc/43/16/24/536431624.db2.gz CHVPVHMCZISFEN-MJGOQNOKSA-N 2 1 344.503 1.385 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCc2ccc(C[NH+](C)C)cc2)[N@@H+](C)C1 ZINC000346007924 536775319 /nfs/dbraw/zinc/77/53/19/536775319.db2.gz IHDBEOWTAUGLIA-ZWKOTPCHSA-N 2 1 348.491 1.609 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)NCC[NH+](C)C)CC[N@H+]2C2CC2)c1 ZINC000245888602 536913721 /nfs/dbraw/zinc/91/37/21/536913721.db2.gz BYALXSUEMMWYAL-ROUUACIJSA-N 2 1 346.475 1.834 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCCCCCCO)CC2)C1 ZINC000743847076 579492260 /nfs/dbraw/zinc/49/22/60/579492260.db2.gz WMWMCFNCUXQYNX-IBGZPJMESA-N 2 1 341.540 1.656 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)C3CC(O)C3)cc2)CC1 ZINC000759870134 580017558 /nfs/dbraw/zinc/01/75/58/580017558.db2.gz PPKPMRKZRBOQPF-UHFFFAOYSA-N 2 1 346.475 1.222 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)C3CC(O)C3)cc2)CC1 ZINC000759870134 580017559 /nfs/dbraw/zinc/01/75/59/580017559.db2.gz PPKPMRKZRBOQPF-UHFFFAOYSA-N 2 1 346.475 1.222 20 0 EDADMP COC(=O)c1nn(C[N@H+](C)CC2CC[NH+](C)CC2)c(C)c1Cl ZINC000728905572 578554055 /nfs/dbraw/zinc/55/40/55/578554055.db2.gz PQEUVVJLTCKHKL-UHFFFAOYSA-N 2 1 328.844 1.863 20 0 EDADMP COC(=O)c1nn(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C)c1Cl ZINC000728905572 578554056 /nfs/dbraw/zinc/55/40/56/578554056.db2.gz PQEUVVJLTCKHKL-UHFFFAOYSA-N 2 1 328.844 1.863 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCC1([NH+](C)C)CCOCC1 ZINC000733754974 578783651 /nfs/dbraw/zinc/78/36/51/578783651.db2.gz ZGAOWLFXTDDUNZ-CQSZACIVSA-N 2 1 328.526 1.046 20 0 EDADMP Cc1nccn1CCCC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000734451185 578815287 /nfs/dbraw/zinc/81/52/87/578815287.db2.gz FNKAQEBLAVKLEQ-QGZVFWFLSA-N 2 1 333.480 1.210 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000734451185 578815288 /nfs/dbraw/zinc/81/52/88/578815288.db2.gz FNKAQEBLAVKLEQ-QGZVFWFLSA-N 2 1 333.480 1.210 20 0 EDADMP CC[C@@H]1CN(C(=S)NC[C@@H]2CCC[NH+]2CC)CC[N@H+]1CCOC ZINC000735247604 578871600 /nfs/dbraw/zinc/87/16/00/578871600.db2.gz XUGJQIYXBBYKMX-CVEARBPZSA-N 2 1 342.553 1.388 20 0 EDADMP CC[C@@H]1CN(C(=S)NC[C@@H]2CCC[N@@H+]2CC)CC[NH+]1CCOC ZINC000735247604 578871602 /nfs/dbraw/zinc/87/16/02/578871602.db2.gz XUGJQIYXBBYKMX-CVEARBPZSA-N 2 1 342.553 1.388 20 0 EDADMP CC[C@@H]1CN(C(=S)NC[C@@H]2CCC[N@H+]2CC)CC[NH+]1CCOC ZINC000735247604 578871603 /nfs/dbraw/zinc/87/16/03/578871603.db2.gz XUGJQIYXBBYKMX-CVEARBPZSA-N 2 1 342.553 1.388 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000735883950 578932914 /nfs/dbraw/zinc/93/29/14/578932914.db2.gz QLKIAWGSDJPYRQ-UHFFFAOYSA-N 2 1 325.478 1.119 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C(=O)C[C@]3(CCSC3)C2=O)CC1 ZINC000738077653 579157594 /nfs/dbraw/zinc/15/75/94/579157594.db2.gz WFUAKVQKEBMTBA-INIZCTEOSA-N 2 1 325.478 1.100 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000761550478 580059117 /nfs/dbraw/zinc/05/91/17/580059117.db2.gz OFVRNWYSHKBPRM-JKSUJKDBSA-N 2 1 342.553 1.436 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000761550478 580059118 /nfs/dbraw/zinc/05/91/18/580059118.db2.gz OFVRNWYSHKBPRM-JKSUJKDBSA-N 2 1 342.553 1.436 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000761550478 580059119 /nfs/dbraw/zinc/05/91/19/580059119.db2.gz OFVRNWYSHKBPRM-JKSUJKDBSA-N 2 1 342.553 1.436 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000748746636 579699143 /nfs/dbraw/zinc/69/91/43/579699143.db2.gz JKGRMDLSQLGHFG-UHFFFAOYSA-N 2 1 336.480 1.931 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC000749419246 579725945 /nfs/dbraw/zinc/72/59/45/579725945.db2.gz GFCWMEVSBJAAOY-PKOBYXMFSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC000749419246 579725946 /nfs/dbraw/zinc/72/59/46/579725946.db2.gz GFCWMEVSBJAAOY-PKOBYXMFSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3CC4(CC3=O)CCOCC4)C2)CC1 ZINC000755777210 579934746 /nfs/dbraw/zinc/93/47/46/579934746.db2.gz AORQOKWCSFDSND-QGZVFWFLSA-N 2 1 335.492 1.637 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)NC[C@@H]2CCCCO2)CC1 ZINC000758210903 579976899 /nfs/dbraw/zinc/97/68/99/579976899.db2.gz URYCSVKYBXWERZ-AWEZNQCLSA-N 2 1 349.504 1.689 20 0 EDADMP C[C@@H](COc1ccccc1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000761964938 580064421 /nfs/dbraw/zinc/06/44/21/580064421.db2.gz HZWCYKFYLUNIPK-INIZCTEOSA-N 2 1 341.459 1.786 20 0 EDADMP CC[NH+]1CCN(c2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000771635085 580290838 /nfs/dbraw/zinc/29/08/38/580290838.db2.gz DQUPAXKKDCTPPZ-UHFFFAOYSA-N 2 1 346.475 1.489 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000779603515 580491039 /nfs/dbraw/zinc/49/10/39/580491039.db2.gz FFQUZWRKBCHYBX-UHFFFAOYSA-N 2 1 332.444 1.376 20 0 EDADMP CCc1ccccc1NC(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779655825 580493557 /nfs/dbraw/zinc/49/35/57/580493557.db2.gz VZMZSMZXDJUPDV-INIZCTEOSA-N 2 1 348.447 1.795 20 0 EDADMP CCc1ccccc1NC(=O)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779655825 580493558 /nfs/dbraw/zinc/49/35/58/580493558.db2.gz VZMZSMZXDJUPDV-INIZCTEOSA-N 2 1 348.447 1.795 20 0 EDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CCNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000794385039 580889801 /nfs/dbraw/zinc/88/98/01/580889801.db2.gz YSJCZHAEEGRREB-QLFBSQMISA-N 2 1 329.485 1.677 20 0 EDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000794385039 580889802 /nfs/dbraw/zinc/88/98/02/580889802.db2.gz YSJCZHAEEGRREB-QLFBSQMISA-N 2 1 329.485 1.677 20 0 EDADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CCNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000794385039 580889803 /nfs/dbraw/zinc/88/98/03/580889803.db2.gz YSJCZHAEEGRREB-QLFBSQMISA-N 2 1 329.485 1.677 20 0 EDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)CCNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000794385039 580889804 /nfs/dbraw/zinc/88/98/04/580889804.db2.gz YSJCZHAEEGRREB-QLFBSQMISA-N 2 1 329.485 1.677 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cn2)C1 ZINC000799304618 581024755 /nfs/dbraw/zinc/02/47/55/581024755.db2.gz XLIAIGMPXKOIPV-NVXWUHKLSA-N 2 1 325.428 1.687 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000893319649 590776635 /nfs/dbraw/zinc/77/66/35/590776635.db2.gz TZNYUHFWIHQPIR-UHFFFAOYSA-N 2 1 342.491 1.444 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)C2)cc1 ZINC000892150694 590823139 /nfs/dbraw/zinc/82/31/39/590823139.db2.gz KQWOBCNBYIPCLO-CABCVRRESA-N 2 1 340.418 1.851 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000893431148 590865237 /nfs/dbraw/zinc/86/52/37/590865237.db2.gz IRYJJXQDVXSXGV-DOTOQJQBSA-N 2 1 334.439 1.603 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000893431148 590865239 /nfs/dbraw/zinc/86/52/39/590865239.db2.gz IRYJJXQDVXSXGV-DOTOQJQBSA-N 2 1 334.439 1.603 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000893431148 590865242 /nfs/dbraw/zinc/86/52/42/590865242.db2.gz IRYJJXQDVXSXGV-DOTOQJQBSA-N 2 1 334.439 1.603 20 0 EDADMP C[N@H+]1C[C@@H](CNC(=O)N[C@@H]2CCC[NH+](C)C2)[C@H](c2ccccc2)C1 ZINC000892237401 590880082 /nfs/dbraw/zinc/88/00/82/590880082.db2.gz JGRADXAUOFXGTN-KURKYZTESA-N 2 1 330.476 1.725 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)N[C@@H]2CCC[N@H+](C)C2)[C@H](c2ccccc2)C1 ZINC000892237401 590880087 /nfs/dbraw/zinc/88/00/87/590880087.db2.gz JGRADXAUOFXGTN-KURKYZTESA-N 2 1 330.476 1.725 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@H](c2ccccc2)C1 ZINC000892237401 590880091 /nfs/dbraw/zinc/88/00/91/590880091.db2.gz JGRADXAUOFXGTN-KURKYZTESA-N 2 1 330.476 1.725 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892332633 590960235 /nfs/dbraw/zinc/96/02/35/590960235.db2.gz XBUXSVUKCADNAR-QGZVFWFLSA-N 2 1 330.476 1.958 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892463847 591036421 /nfs/dbraw/zinc/03/64/21/591036421.db2.gz UNLXVTNDLBLJDC-UHFFFAOYSA-N 2 1 337.512 1.068 20 0 EDADMP C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000893699121 591051577 /nfs/dbraw/zinc/05/15/77/591051577.db2.gz GMOMATLNMDTGDN-BRWVUGGUSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000893699121 591051581 /nfs/dbraw/zinc/05/15/81/591051581.db2.gz GMOMATLNMDTGDN-BRWVUGGUSA-N 2 1 338.496 1.271 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000892530507 591059956 /nfs/dbraw/zinc/05/99/56/591059956.db2.gz PXIDVNCHCFUQFE-GOSISDBHSA-N 2 1 348.491 1.447 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000892536596 591064076 /nfs/dbraw/zinc/06/40/76/591064076.db2.gz QVEONFLEXMUWLA-IEBWSBKVSA-N 2 1 346.475 1.247 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000892536596 591064080 /nfs/dbraw/zinc/06/40/80/591064080.db2.gz QVEONFLEXMUWLA-IEBWSBKVSA-N 2 1 346.475 1.247 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891494154 591093411 /nfs/dbraw/zinc/09/34/11/591093411.db2.gz IJHSQHWAIZYCBL-GJZGRUSLSA-N 2 1 326.485 1.175 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000891508551 591098745 /nfs/dbraw/zinc/09/87/45/591098745.db2.gz NQVNLRXXBARJAT-NJAFHUGGSA-N 2 1 330.476 1.682 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000891543383 591114315 /nfs/dbraw/zinc/11/43/15/591114315.db2.gz PUYYLSSFZFZFCU-HBFSDRIKSA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000891543383 591114316 /nfs/dbraw/zinc/11/43/16/591114316.db2.gz PUYYLSSFZFZFCU-HBFSDRIKSA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000891543383 591114317 /nfs/dbraw/zinc/11/43/17/591114317.db2.gz PUYYLSSFZFZFCU-HBFSDRIKSA-N 2 1 342.487 1.854 20 0 EDADMP COc1cccc([C@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)[NH+](C)C)c1 ZINC000891539366 591116319 /nfs/dbraw/zinc/11/63/19/591116319.db2.gz RUISJKWVGTYJKG-SZMVWBNQSA-N 2 1 346.475 1.643 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1C(F)(F)F ZINC000891576698 591132816 /nfs/dbraw/zinc/13/28/16/591132816.db2.gz NGIGUWPKCUDJCI-UPJWGTAASA-N 2 1 334.386 1.249 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891642850 591164343 /nfs/dbraw/zinc/16/43/43/591164343.db2.gz AALSZADIGDBCBT-DZJNRPSUSA-N 2 1 330.476 1.934 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768007 591168738 /nfs/dbraw/zinc/16/87/38/591168738.db2.gz HJGIMNDBDISEQD-MRXNPFEDSA-N 2 1 349.479 1.382 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891672433 591178192 /nfs/dbraw/zinc/17/81/92/591178192.db2.gz ANCPRFRHBGSPOO-WFFHOREQSA-N 2 1 334.386 1.248 20 0 EDADMP Nc1cc[nH+]c(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000891685543 591184695 /nfs/dbraw/zinc/18/46/95/591184695.db2.gz NQYOUSVEOSWZAR-HOTGVXAUSA-N 2 1 333.436 1.106 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](Nc3cc[nH+]cc3CO)C2)cc(OC)c1 ZINC000892881022 591213327 /nfs/dbraw/zinc/21/33/27/591213327.db2.gz OJPYDEAXHIBNJW-MRXNPFEDSA-N 2 1 343.427 1.699 20 0 EDADMP CN1CC[N@@H+](CCCNc2cc[nH+]cc2CO)[C@H](c2ccccc2)C1 ZINC000891762373 591215144 /nfs/dbraw/zinc/21/51/44/591215144.db2.gz NAUZTYRKCWZKIW-FQEVSTJZSA-N 2 1 340.471 1.787 20 0 EDADMP C[N@@H+]1CCN(CCCNc2cc[nH+]cc2CO)[C@H](c2ccccc2)C1 ZINC000891762373 591215146 /nfs/dbraw/zinc/21/51/46/591215146.db2.gz NAUZTYRKCWZKIW-FQEVSTJZSA-N 2 1 340.471 1.787 20 0 EDADMP C[N@H+]1CCN(CCCNc2cc[nH+]cc2CO)[C@H](c2ccccc2)C1 ZINC000891762373 591215148 /nfs/dbraw/zinc/21/51/48/591215148.db2.gz NAUZTYRKCWZKIW-FQEVSTJZSA-N 2 1 340.471 1.787 20 0 EDADMP CCN(C(=O)NCc1ccc(C)[nH+]c1N1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000891764893 591217519 /nfs/dbraw/zinc/21/75/19/591217519.db2.gz JENOWSBNFYAQPD-MRXNPFEDSA-N 2 1 331.464 1.884 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000894232081 591238560 /nfs/dbraw/zinc/23/85/60/591238560.db2.gz BTGXNPJQJGPHCB-KANFNMMFSA-N 2 1 342.487 1.710 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894232081 591238563 /nfs/dbraw/zinc/23/85/63/591238563.db2.gz BTGXNPJQJGPHCB-KANFNMMFSA-N 2 1 342.487 1.710 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000894232081 591238565 /nfs/dbraw/zinc/23/85/65/591238565.db2.gz BTGXNPJQJGPHCB-KANFNMMFSA-N 2 1 342.487 1.710 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000895722470 591261040 /nfs/dbraw/zinc/26/10/40/591261040.db2.gz WNQKHQNMDHCSJX-SFHVURJKSA-N 2 1 348.487 1.990 20 0 EDADMP C[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)cc(C(F)(F)F)n1 ZINC000895772224 591270192 /nfs/dbraw/zinc/27/01/92/591270192.db2.gz YLYBMVCYCKZFPR-MNOVXSKESA-N 2 1 344.385 1.727 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1cc(C(F)(F)F)nc(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895772224 591270195 /nfs/dbraw/zinc/27/01/95/591270195.db2.gz YLYBMVCYCKZFPR-MNOVXSKESA-N 2 1 344.385 1.727 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1cc(C(F)(F)F)nc(NC[C@@H]2CC[N@H+]2C)n1 ZINC000895772224 591270196 /nfs/dbraw/zinc/27/01/96/591270196.db2.gz YLYBMVCYCKZFPR-MNOVXSKESA-N 2 1 344.385 1.727 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cn(CC)nn1 ZINC000894910255 591470582 /nfs/dbraw/zinc/47/05/82/591470582.db2.gz WKWLTZHSZQLZAB-IEBWSBKVSA-N 2 1 343.475 1.925 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000897483682 591489663 /nfs/dbraw/zinc/48/96/63/591489663.db2.gz SNZWSDRQOWNUDZ-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)n[nH]1 ZINC000897015727 591712256 /nfs/dbraw/zinc/71/22/56/591712256.db2.gz BNGJKHDJWWMNEX-XOKHGSTOSA-N 2 1 331.464 1.733 20 0 EDADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)n[nH]1 ZINC000897015727 591712258 /nfs/dbraw/zinc/71/22/58/591712258.db2.gz BNGJKHDJWWMNEX-XOKHGSTOSA-N 2 1 331.464 1.733 20 0 EDADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n[nH]1 ZINC000897015727 591712262 /nfs/dbraw/zinc/71/22/62/591712262.db2.gz BNGJKHDJWWMNEX-XOKHGSTOSA-N 2 1 331.464 1.733 20 0 EDADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n[nH]1 ZINC000897015727 591712265 /nfs/dbraw/zinc/71/22/65/591712265.db2.gz BNGJKHDJWWMNEX-XOKHGSTOSA-N 2 1 331.464 1.733 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898113725 591786151 /nfs/dbraw/zinc/78/61/51/591786151.db2.gz LGTDXPJCJJTNCI-QGZVFWFLSA-N 2 1 337.508 1.604 20 0 EDADMP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000895525888 591788971 /nfs/dbraw/zinc/78/89/71/591788971.db2.gz CRQMSAWHJMKAHA-LJQANCHMSA-N 2 1 343.471 1.442 20 0 EDADMP Cc1cccc2nc(CCNC(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)cn21 ZINC000895533381 591791474 /nfs/dbraw/zinc/79/14/74/591791474.db2.gz HUBCHCDLAUMZOE-GOEBONIOSA-N 2 1 327.432 1.531 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1cnn(C)c1 ZINC000899463425 591813089 /nfs/dbraw/zinc/81/30/89/591813089.db2.gz DZZHEEDVMRRYJP-HNNXBMFYSA-N 2 1 338.525 1.465 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)CC[C@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000898186628 591827415 /nfs/dbraw/zinc/82/74/15/591827415.db2.gz SIPVROYVILAMQR-IXDOHACOSA-N 2 1 325.497 1.819 20 0 EDADMP CC[N@H+]1CC[C@H](NCc2cccc(N(C)S(C)(=O)=O)c2)[C@H](C)C1 ZINC000898285087 591853239 /nfs/dbraw/zinc/85/32/39/591853239.db2.gz SCSKZNSCADMFFJ-PBHICJAKSA-N 2 1 339.505 1.902 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)[C@H](C)C1 ZINC000898285087 591853245 /nfs/dbraw/zinc/85/32/45/591853245.db2.gz SCSKZNSCADMFFJ-PBHICJAKSA-N 2 1 339.505 1.902 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000900019331 591870542 /nfs/dbraw/zinc/87/05/42/591870542.db2.gz ZLNZIQOMKZIETL-UYAOXDASSA-N 2 1 345.487 1.744 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)C34CC[NH+](CC3)C4)cc2)CC1 ZINC000900249641 591959034 /nfs/dbraw/zinc/95/90/34/591959034.db2.gz LJBYSHSEISWRTF-UHFFFAOYSA-N 2 1 328.460 1.863 20 0 EDADMP CC(C)C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000902372183 591982053 /nfs/dbraw/zinc/98/20/53/591982053.db2.gz VWNDHQCHVYESRB-CVEARBPZSA-N 2 1 326.529 1.447 20 0 EDADMP CCn1cnc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1 ZINC000902411046 591987958 /nfs/dbraw/zinc/98/79/58/591987958.db2.gz VIHKIZDCSIHZCH-SFHVURJKSA-N 2 1 343.475 1.282 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000900440093 592018932 /nfs/dbraw/zinc/01/89/32/592018932.db2.gz HQXVIDBZBAEFJF-SFHVURJKSA-N 2 1 336.524 1.489 20 0 EDADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900530651 592048618 /nfs/dbraw/zinc/04/86/18/592048618.db2.gz YCVMUZPUFLSFCJ-FQEVSTJZSA-N 2 1 347.503 1.944 20 0 EDADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900530697 592048647 /nfs/dbraw/zinc/04/86/47/592048647.db2.gz ZULBVZCWALURBG-IEBWSBKVSA-N 2 1 333.476 1.552 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cn(C)nn1 ZINC000902793095 592064858 /nfs/dbraw/zinc/06/48/58/592064858.db2.gz FNRGCVMLEYURGK-AWEZNQCLSA-N 2 1 329.448 1.623 20 0 EDADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1COc2ccccc2C1 ZINC000902794703 592064913 /nfs/dbraw/zinc/06/49/13/592064913.db2.gz YHVLJCLWQIEUMF-CGTJXYLNSA-N 2 1 345.487 1.803 20 0 EDADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@]2(O)CCC[NH+](C)C2)c1 ZINC000900651705 592081289 /nfs/dbraw/zinc/08/12/89/592081289.db2.gz IPLQGDCTKRQDDS-HXUWFJFHSA-N 2 1 347.503 1.990 20 0 EDADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC000900651705 592081291 /nfs/dbraw/zinc/08/12/91/592081291.db2.gz IPLQGDCTKRQDDS-HXUWFJFHSA-N 2 1 347.503 1.990 20 0 EDADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)c1 ZINC000900651705 592081293 /nfs/dbraw/zinc/08/12/93/592081293.db2.gz IPLQGDCTKRQDDS-HXUWFJFHSA-N 2 1 347.503 1.990 20 0 EDADMP CCOC(=O)[C@@H]1CCCN(CC(=O)NC[C@@H]2CCCC[N@H+]2CC)C1 ZINC000900660224 592083737 /nfs/dbraw/zinc/08/37/37/592083737.db2.gz RXDBLNGHORAYHY-CVEARBPZSA-N 2 1 339.480 1.252 20 0 EDADMP CC(C)C[C@H](CNC(=O)CC[NH+]1CCN(C(C)C)CC1)[NH+](C)C ZINC000900684621 592093605 /nfs/dbraw/zinc/09/36/05/592093605.db2.gz SNIJMGNXQVKTQS-QGZVFWFLSA-N 2 1 326.529 1.495 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000900761283 592109270 /nfs/dbraw/zinc/10/92/70/592109270.db2.gz QCHVSQIERKIHPI-QZTJIDSGSA-N 2 1 335.492 1.574 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc3n(n1)CCC3)C2 ZINC000903113289 592122922 /nfs/dbraw/zinc/12/29/22/592122922.db2.gz VMJWDJYCHZCSFR-LRMKFPBYSA-N 2 1 332.492 1.960 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3CN(C4CC4)C[C@H]3C)C2)[C@@H]1C(C)C ZINC000903122005 592123981 /nfs/dbraw/zinc/12/39/81/592123981.db2.gz WFUVWARVVVCJJD-CETDPJCDSA-N 2 1 335.536 1.929 20 0 EDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000903432648 592168896 /nfs/dbraw/zinc/16/88/96/592168896.db2.gz IQPBTKVKXRNWNF-JKSUJKDBSA-N 2 1 337.489 1.510 20 0 EDADMP Cc1cn2c(nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2=O)s1 ZINC000903454173 592173778 /nfs/dbraw/zinc/17/37/78/592173778.db2.gz WIQIDYIMHSNNAD-UONOGXRCSA-N 2 1 332.473 1.886 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000903493212 592185579 /nfs/dbraw/zinc/18/55/79/592185579.db2.gz PFPIPBNHZWWMMG-KHYOSLBOSA-N 2 1 341.411 1.653 20 0 EDADMP COC(=O)c1ccccc1C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493743 592186183 /nfs/dbraw/zinc/18/61/83/592186183.db2.gz WEKCCCWBOHPHII-IYOUNJFTSA-N 2 1 332.400 1.186 20 0 EDADMP CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000900995387 592200476 /nfs/dbraw/zinc/20/04/76/592200476.db2.gz LONSKCKYQJKXPR-KFWWJZLASA-N 2 1 337.464 1.003 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC000901025816 592203328 /nfs/dbraw/zinc/20/33/28/592203328.db2.gz KWTNKUQTZFPYTB-POAQFYNOSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000901025816 592203330 /nfs/dbraw/zinc/20/33/30/592203330.db2.gz KWTNKUQTZFPYTB-POAQFYNOSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000901025816 592203332 /nfs/dbraw/zinc/20/33/32/592203332.db2.gz KWTNKUQTZFPYTB-POAQFYNOSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+](C)C[C@H]1CN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)c2ccccc2O1 ZINC000901059810 592220005 /nfs/dbraw/zinc/22/00/05/592220005.db2.gz CWPXYHYFJJTFKP-HNAYVOBHSA-N 2 1 347.459 1.189 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906656408 592238196 /nfs/dbraw/zinc/23/81/96/592238196.db2.gz GIZGWWKJAFDMDN-AWEZNQCLSA-N 2 1 332.448 1.178 20 0 EDADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906663871 592246017 /nfs/dbraw/zinc/24/60/17/592246017.db2.gz IMZJVCGHOPEMIX-GJZGRUSLSA-N 2 1 330.432 1.169 20 0 EDADMP [NH3+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000906665687 592248396 /nfs/dbraw/zinc/24/83/96/592248396.db2.gz CITSMLZCYTUTJO-HNNXBMFYSA-N 2 1 330.432 1.217 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000901133024 592251567 /nfs/dbraw/zinc/25/15/67/592251567.db2.gz AEPZKVFURIJHIQ-CHPDAQJUSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906679489 592261392 /nfs/dbraw/zinc/26/13/92/592261392.db2.gz PFQUZOQXUIVCLK-UHFFFAOYSA-N 2 1 338.540 1.641 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000904511566 592274838 /nfs/dbraw/zinc/27/48/38/592274838.db2.gz SLTIIIRHHIFQFZ-SJORKVTESA-N 2 1 332.448 1.469 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)C[C@]2(C)C1 ZINC000904524313 592278743 /nfs/dbraw/zinc/27/87/43/592278743.db2.gz MQCGQZCGAYLJDV-AYBZRNKSSA-N 2 1 344.459 1.763 20 0 EDADMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903718520 592280347 /nfs/dbraw/zinc/28/03/47/592280347.db2.gz OBBVBVZQVHUOJP-ZIAGYGMSSA-N 2 1 325.478 1.717 20 0 EDADMP C[NH+](C)CCOc1ccccc1-c1noc(C[C@H]([NH3+])C(F)F)n1 ZINC000904603812 592293566 /nfs/dbraw/zinc/29/35/66/592293566.db2.gz LBDQAIZYNASGGA-NSHDSACASA-N 2 1 326.347 1.812 20 0 EDADMP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000903733499 592296357 /nfs/dbraw/zinc/29/63/57/592296357.db2.gz LIVZYLUJXVNWTF-JYJNAYRXSA-N 2 1 344.521 1.433 20 0 EDADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000903733499 592296359 /nfs/dbraw/zinc/29/63/59/592296359.db2.gz LIVZYLUJXVNWTF-JYJNAYRXSA-N 2 1 344.521 1.433 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)[C@H]1c1ccccc1 ZINC000901233155 592296606 /nfs/dbraw/zinc/29/66/06/592296606.db2.gz KHGJHFCSLAMOAH-UHOSZYNNSA-N 2 1 331.460 1.395 20 0 EDADMP C[NH+]1CC[C@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)[C@H]1c1ccccc1 ZINC000901233155 592296610 /nfs/dbraw/zinc/29/66/10/592296610.db2.gz KHGJHFCSLAMOAH-UHOSZYNNSA-N 2 1 331.460 1.395 20 0 EDADMP C[NH+]1CC[C@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[C@H]1c1ccccc1 ZINC000901233155 592296614 /nfs/dbraw/zinc/29/66/14/592296614.db2.gz KHGJHFCSLAMOAH-UHOSZYNNSA-N 2 1 331.460 1.395 20 0 EDADMP C[NH+](C)CCOc1cc(-c2noc(C[C@@H]([NH3+])C(F)F)n2)ccn1 ZINC000904629056 592299614 /nfs/dbraw/zinc/29/96/14/592299614.db2.gz ZWSUYWHSLGWPRS-SNVBAGLBSA-N 2 1 327.335 1.207 20 0 EDADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903739918 592302153 /nfs/dbraw/zinc/30/21/53/592302153.db2.gz BBRBSAKYUAULOM-LNLFQRSKSA-N 2 1 330.476 1.892 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903739918 592302160 /nfs/dbraw/zinc/30/21/60/592302160.db2.gz BBRBSAKYUAULOM-LNLFQRSKSA-N 3 1 330.476 1.892 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903739918 592302166 /nfs/dbraw/zinc/30/21/66/592302166.db2.gz BBRBSAKYUAULOM-LNLFQRSKSA-N 3 1 330.476 1.892 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2ccccc2C[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000904647455 592302956 /nfs/dbraw/zinc/30/29/56/592302956.db2.gz FCVWNLFKRXTLKO-WMLDXEAASA-N 2 1 332.448 1.720 20 0 EDADMP FC(F)C(F)(F)CN1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903740174 592303531 /nfs/dbraw/zinc/30/35/31/592303531.db2.gz SNLZEMUITGCPIA-OCCSQVGLSA-N 2 1 339.377 1.273 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000901252764 592304583 /nfs/dbraw/zinc/30/45/83/592304583.db2.gz ZRUGTBBAWRQTKI-MJGOQNOKSA-N 2 1 347.459 1.037 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000901252764 592304586 /nfs/dbraw/zinc/30/45/86/592304586.db2.gz ZRUGTBBAWRQTKI-MJGOQNOKSA-N 2 1 347.459 1.037 20 0 EDADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000908095487 592313023 /nfs/dbraw/zinc/31/30/23/592313023.db2.gz WTHGKBCOINLIND-HKUYNNGSSA-N 2 1 349.475 1.261 20 0 EDADMP c1ccc([C@]23COC[C@H]2C[N@H+](C[C@H]2C[C@]4(CC[NH2+]C4)CO2)C3)cc1 ZINC000903784003 592321848 /nfs/dbraw/zinc/32/18/48/592321848.db2.gz IROJZZJYFDCGLP-ZRNYENFQSA-N 2 1 328.456 1.655 20 0 EDADMP O[C@H](COc1ccc(F)cc1)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903820264 592333630 /nfs/dbraw/zinc/33/36/30/592333630.db2.gz YWEYCLFXPRMXBL-INIZCTEOSA-N 2 1 338.423 1.410 20 0 EDADMP O[C@H](COc1ccc(F)cc1)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903820264 592333634 /nfs/dbraw/zinc/33/36/34/592333634.db2.gz YWEYCLFXPRMXBL-INIZCTEOSA-N 2 1 338.423 1.410 20 0 EDADMP FC(F)(F)c1ccnc([C@@H]2CC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000903825692 592334637 /nfs/dbraw/zinc/33/46/37/592334637.db2.gz COKYROYNRQJBMK-NEPJUHHUSA-N 2 1 342.365 1.806 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000903850487 592344985 /nfs/dbraw/zinc/34/49/85/592344985.db2.gz SAYSCPBRMVESMU-ZNMIVQPWSA-N 2 1 327.428 1.874 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903873185 592354873 /nfs/dbraw/zinc/35/48/73/592354873.db2.gz MCSOKFBIURFUEB-ATLSCFEFSA-N 2 1 348.491 1.652 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903873185 592354879 /nfs/dbraw/zinc/35/48/79/592354879.db2.gz MCSOKFBIURFUEB-ATLSCFEFSA-N 2 1 348.491 1.652 20 0 EDADMP COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903914759 592365128 /nfs/dbraw/zinc/36/51/28/592365128.db2.gz VVUSGUKPTCLCIY-ROUUACIJSA-N 2 1 343.475 1.892 20 0 EDADMP COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903914759 592365136 /nfs/dbraw/zinc/36/51/36/592365136.db2.gz VVUSGUKPTCLCIY-ROUUACIJSA-N 2 1 343.475 1.892 20 0 EDADMP CN(C[C@@H]([NH3+])CC(F)F)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000903913517 592375956 /nfs/dbraw/zinc/37/59/56/592375956.db2.gz DNTBMPHZFXLMJE-DUVNUKRYSA-N 2 1 329.439 1.717 20 0 EDADMP CN(C[C@H]([NH3+])CC(F)F)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000903925023 592379225 /nfs/dbraw/zinc/37/92/25/592379225.db2.gz BPGHSHRSCCNVKS-WOSRLPQWSA-N 2 1 329.439 1.717 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000903933880 592386217 /nfs/dbraw/zinc/38/62/17/592386217.db2.gz XOWVHSQDEYVZPT-IAGOWNOFSA-N 3 1 332.496 1.414 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1nccn1-c1ccccc1)C2 ZINC000903977744 592399581 /nfs/dbraw/zinc/39/95/81/592399581.db2.gz YDCDABLXXGHBSB-KHYOSLBOSA-N 2 1 340.427 1.585 20 0 EDADMP C[C@](O)(CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(F)(F)C(F)(F)F ZINC000905074260 592403734 /nfs/dbraw/zinc/40/37/34/592403734.db2.gz FVKAUURDEVVYES-VWYCJHECSA-N 2 1 332.313 1.388 20 0 EDADMP C[C@](O)(CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(F)(F)C(F)(F)F ZINC000905074260 592403737 /nfs/dbraw/zinc/40/37/37/592403737.db2.gz FVKAUURDEVVYES-VWYCJHECSA-N 2 1 332.313 1.388 20 0 EDADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC000905098483 592404079 /nfs/dbraw/zinc/40/40/79/592404079.db2.gz SSYSUIKFJISLFR-AABGKKOBSA-N 2 1 348.487 1.043 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000906891143 592408161 /nfs/dbraw/zinc/40/81/61/592408161.db2.gz XGSDQQJUQUUSJS-WMZOPIPTSA-N 2 1 339.524 1.660 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH+]3CCOC[C@@H]3C)CC2)C1 ZINC000908313628 592429104 /nfs/dbraw/zinc/42/91/04/592429104.db2.gz AFXOKRBUBPTEQO-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)C1 ZINC000908313628 592429107 /nfs/dbraw/zinc/42/91/07/592429107.db2.gz AFXOKRBUBPTEQO-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)C1 ZINC000908313628 592429109 /nfs/dbraw/zinc/42/91/09/592429109.db2.gz AFXOKRBUBPTEQO-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)CC2(CO)CCCC2)CCCO1 ZINC000905232332 592459752 /nfs/dbraw/zinc/45/97/52/592459752.db2.gz NKDDBDWUEWVKON-SJORKVTESA-N 2 1 328.497 1.381 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)CC1 ZINC000908503358 592523141 /nfs/dbraw/zinc/52/31/41/592523141.db2.gz IMIQOUNZQQMXFA-KRWDZBQOSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)CC1 ZINC000908503358 592523144 /nfs/dbraw/zinc/52/31/44/592523144.db2.gz IMIQOUNZQQMXFA-KRWDZBQOSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)CC1 ZINC000908503358 592523145 /nfs/dbraw/zinc/52/31/45/592523145.db2.gz IMIQOUNZQQMXFA-KRWDZBQOSA-N 2 1 336.524 1.345 20 0 EDADMP C[NH+]1CCC(CNC(=S)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000905633013 592591626 /nfs/dbraw/zinc/59/16/26/592591626.db2.gz ITTZLOROENIIOZ-LSDHHAIUSA-N 2 1 342.578 1.372 20 0 EDADMP COC(=O)c1cnc(NCC[NH+]2CCC([NH3+])CC2)cc1C(F)(F)F ZINC000905705356 592617414 /nfs/dbraw/zinc/61/74/14/592617414.db2.gz IHHLQHNTDLLFJY-UHFFFAOYSA-N 2 1 346.353 1.722 20 0 EDADMP CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)(C(F)(F)F)CC1 ZINC000905825490 592657343 /nfs/dbraw/zinc/65/73/43/592657343.db2.gz RHQGFKYQDCXCPV-VXGBXAGGSA-N 2 1 337.386 1.239 20 0 EDADMP CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)(C(F)(F)F)CC1 ZINC000905825490 592657344 /nfs/dbraw/zinc/65/73/44/592657344.db2.gz RHQGFKYQDCXCPV-VXGBXAGGSA-N 2 1 337.386 1.239 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C1CC1 ZINC000907501557 592676030 /nfs/dbraw/zinc/67/60/30/592676030.db2.gz BTRCAOOIPVSRNW-NSHGMRRFSA-N 2 1 345.487 1.468 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)C1CC1 ZINC000907501557 592676033 /nfs/dbraw/zinc/67/60/33/592676033.db2.gz BTRCAOOIPVSRNW-NSHGMRRFSA-N 2 1 345.487 1.468 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C1CC1 ZINC000907501557 592676038 /nfs/dbraw/zinc/67/60/38/592676038.db2.gz BTRCAOOIPVSRNW-NSHGMRRFSA-N 2 1 345.487 1.468 20 0 EDADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)cc1F ZINC000909930202 592723095 /nfs/dbraw/zinc/72/30/95/592723095.db2.gz QMGZOMSLFMEUGW-CXAGYDPISA-N 2 1 339.411 1.160 20 0 EDADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccn1CCN1CCOCC1 ZINC000906238454 592768735 /nfs/dbraw/zinc/76/87/35/592768735.db2.gz DVLZXSJDGAPICS-DLBZAZTESA-N 2 1 346.475 1.177 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906382105 592814010 /nfs/dbraw/zinc/81/40/10/592814010.db2.gz RDNRNZVTBBSWDR-IYBDPMFKSA-N 2 1 338.540 1.353 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906382105 592814014 /nfs/dbraw/zinc/81/40/14/592814014.db2.gz RDNRNZVTBBSWDR-IYBDPMFKSA-N 2 1 338.540 1.353 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906382105 592814015 /nfs/dbraw/zinc/81/40/15/592814015.db2.gz RDNRNZVTBBSWDR-IYBDPMFKSA-N 2 1 338.540 1.353 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)C[C@]2(O)CCC[NH+](C)C2)[C@@H]1c1cccnc1 ZINC000910420500 592860792 /nfs/dbraw/zinc/86/07/92/592860792.db2.gz BZYYNXCCXBDCSV-YTQUADARSA-N 2 1 346.475 1.037 20 0 EDADMP O[C@@H](CN1CC[NH+](C/C=C\c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000906637095 592864199 /nfs/dbraw/zinc/86/41/99/592864199.db2.gz YZRRNRFLQRZZCY-QKWWCAPFSA-N 2 1 329.488 1.774 20 0 EDADMP C[C@H]([NH3+])C1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCOCC1 ZINC000911636655 592961989 /nfs/dbraw/zinc/96/19/89/592961989.db2.gz QIXHIRXAAIUAKT-KRWDZBQOSA-N 2 1 345.487 1.865 20 0 EDADMP O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N1C[NH+]1C2CCC1CC2 ZINC000839958660 593238458 /nfs/dbraw/zinc/23/84/58/593238458.db2.gz JQHXCSWHCTZGPM-OWCVQMPJSA-N 2 1 339.439 1.688 20 0 EDADMP O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N1C[NH+]1C2CCC1CC2 ZINC000839958660 593238459 /nfs/dbraw/zinc/23/84/59/593238459.db2.gz JQHXCSWHCTZGPM-OWCVQMPJSA-N 2 1 339.439 1.688 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000813500859 593536822 /nfs/dbraw/zinc/53/68/22/593536822.db2.gz LFADXTCLIZGGSW-QGZVFWFLSA-N 2 1 329.460 1.114 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000813500859 593536824 /nfs/dbraw/zinc/53/68/24/593536824.db2.gz LFADXTCLIZGGSW-QGZVFWFLSA-N 2 1 329.460 1.114 20 0 EDADMP C[C@@H]1CN(CCNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CCO1 ZINC000813617482 593543892 /nfs/dbraw/zinc/54/38/92/593543892.db2.gz XZUONZGSHXDJSC-JKSUJKDBSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000817936334 593650496 /nfs/dbraw/zinc/65/04/96/593650496.db2.gz JHUSDDQEOCWRGG-HUUCEWRRSA-N 2 1 332.510 1.481 20 0 EDADMP C[C@H](N[C@H]1C[NH2+]CCC1(F)F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000817980923 593653370 /nfs/dbraw/zinc/65/33/70/593653370.db2.gz NVHFINCFIWLWEF-UAGQMJEPSA-N 2 1 339.430 1.863 20 0 EDADMP C[C@H](N[C@H]1C[NH2+]CCC1(F)F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000817980923 593653371 /nfs/dbraw/zinc/65/33/71/593653371.db2.gz NVHFINCFIWLWEF-UAGQMJEPSA-N 2 1 339.430 1.863 20 0 EDADMP COCC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000818975238 593731611 /nfs/dbraw/zinc/73/16/11/593731611.db2.gz LQEQCEDQCVNYOM-UHFFFAOYSA-N 2 1 348.491 1.782 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000818998714 593733180 /nfs/dbraw/zinc/73/31/80/593733180.db2.gz USPBCMJFVRVZPD-DLBZAZTESA-N 2 1 337.439 1.391 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000818998714 593733181 /nfs/dbraw/zinc/73/31/81/593733181.db2.gz USPBCMJFVRVZPD-DLBZAZTESA-N 2 1 337.439 1.391 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000819005232 593733623 /nfs/dbraw/zinc/73/36/23/593733623.db2.gz YYFZNCIJTDWDQF-GOEBONIOSA-N 2 1 339.867 1.550 20 0 EDADMP COc1cccc([C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000819062725 593736725 /nfs/dbraw/zinc/73/67/25/593736725.db2.gz SNTWJSYYIROURX-OALUTQOASA-N 2 1 334.460 1.962 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000819132323 593740600 /nfs/dbraw/zinc/74/06/00/593740600.db2.gz AUOWBALETFGBTH-BFYDXBDKSA-N 2 1 340.489 1.586 20 0 EDADMP C[C@@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C1=CC[N@@H+](C)CC1 ZINC000819220266 593745126 /nfs/dbraw/zinc/74/51/26/593745126.db2.gz KZNOGIQZPWOLPQ-UKRRQHHQSA-N 2 1 327.469 1.502 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(CCCO)CC1 ZINC000820080602 593789362 /nfs/dbraw/zinc/78/93/62/593789362.db2.gz FXTICMUNVQGLFG-INIZCTEOSA-N 2 1 342.528 1.453 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(CCCO)CC1 ZINC000820080602 593789363 /nfs/dbraw/zinc/78/93/63/593789363.db2.gz FXTICMUNVQGLFG-INIZCTEOSA-N 2 1 342.528 1.453 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000820100567 593791169 /nfs/dbraw/zinc/79/11/69/593791169.db2.gz NWDTYZBYUYDJBI-NTZUZEMLSA-N 2 1 341.455 1.096 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000820100567 593791170 /nfs/dbraw/zinc/79/11/70/593791170.db2.gz NWDTYZBYUYDJBI-NTZUZEMLSA-N 2 1 341.455 1.096 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000820100567 593791171 /nfs/dbraw/zinc/79/11/71/593791171.db2.gz NWDTYZBYUYDJBI-NTZUZEMLSA-N 2 1 341.455 1.096 20 0 EDADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625058 593885426 /nfs/dbraw/zinc/88/54/26/593885426.db2.gz DXACTUVPDJLVCB-MLGOLLRUSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625058 593885428 /nfs/dbraw/zinc/88/54/28/593885428.db2.gz DXACTUVPDJLVCB-MLGOLLRUSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625058 593885430 /nfs/dbraw/zinc/88/54/30/593885430.db2.gz DXACTUVPDJLVCB-MLGOLLRUSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625058 593885431 /nfs/dbraw/zinc/88/54/31/593885431.db2.gz DXACTUVPDJLVCB-MLGOLLRUSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)NCc3ccnc(-n4ccnc4)c3)[C@@H]2C1 ZINC000824279325 593974756 /nfs/dbraw/zinc/97/47/56/593974756.db2.gz ROOYWQFKUCMHAM-JKSUJKDBSA-N 2 1 340.431 1.503 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822479020 594054850 /nfs/dbraw/zinc/05/48/50/594054850.db2.gz XPMUGCJMTNNLFP-LLVKDONJSA-N 2 1 329.383 1.937 20 0 EDADMP C[C@H](CNC(=O)C[C@H]([NH3+])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000827050340 594630932 /nfs/dbraw/zinc/63/09/32/594630932.db2.gz WYTRNXJBWNDJER-QAPCUYQASA-N 2 1 330.476 1.441 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000827240896 594655580 /nfs/dbraw/zinc/65/55/80/594655580.db2.gz QGMVTLAXWJMCGF-HKUYNNGSSA-N 2 1 328.460 1.767 20 0 EDADMP CCO[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C[NH+](C)C ZINC000831756754 594699979 /nfs/dbraw/zinc/69/99/79/594699979.db2.gz KYQBQTOFTXVRRB-ROUUACIJSA-N 2 1 348.491 1.377 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000841721581 594943660 /nfs/dbraw/zinc/94/36/60/594943660.db2.gz IJNKGGAFUGYACS-HNNXBMFYSA-N 2 1 328.420 1.469 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841803594 594955630 /nfs/dbraw/zinc/95/56/30/594955630.db2.gz SYGYVZUFWUKPQX-CQSZACIVSA-N 2 1 329.448 1.828 20 0 EDADMP C[NH+](C)CCN(CCc1ccccc1)C(=O)NCC(F)(F)C[NH3+] ZINC000841971835 594992761 /nfs/dbraw/zinc/99/27/61/594992761.db2.gz YNZFUIPHQZASFJ-UHFFFAOYSA-N 2 1 328.407 1.396 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc(C[C@@H]4CCC[NH2+]4)n3)cn2)CC1 ZINC000843205900 595034053 /nfs/dbraw/zinc/03/40/53/595034053.db2.gz UIKOTLVJGYEVFW-HNNXBMFYSA-N 2 1 342.447 1.568 20 0 EDADMP CSCC[C@H]([NH3+])c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000843206133 595034808 /nfs/dbraw/zinc/03/48/08/595034808.db2.gz BHTVTLCIQMYWMU-ZDUSSCGKSA-N 2 1 348.476 1.636 20 0 EDADMP CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843363116 595088698 /nfs/dbraw/zinc/08/86/98/595088698.db2.gz ZTGGICSXKVRTQP-XHSDSOJGSA-N 2 1 339.480 1.298 20 0 EDADMP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843363116 595088701 /nfs/dbraw/zinc/08/87/01/595088701.db2.gz ZTGGICSXKVRTQP-XHSDSOJGSA-N 2 1 339.480 1.298 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCC2CC[NH2+]CC2)cn1 ZINC000846138964 595154715 /nfs/dbraw/zinc/15/47/15/595154715.db2.gz YTKCMYFVRYZVJW-UHFFFAOYSA-N 2 1 342.447 1.765 20 0 EDADMP c1ccc(C[NH+]2CCN(Cc3nc([C@H]4CCC[NH2+]C4)no3)CC2)cc1 ZINC000842663715 595164713 /nfs/dbraw/zinc/16/47/13/595164713.db2.gz HMIRIZRNOCELJA-KRWDZBQOSA-N 2 1 341.459 1.854 20 0 EDADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846217852 595176508 /nfs/dbraw/zinc/17/65/08/595176508.db2.gz FUWDNUQZYJCBGJ-UHFFFAOYSA-N 2 1 348.491 1.913 20 0 EDADMP [NH3+]CCCCCC[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000846218740 595176781 /nfs/dbraw/zinc/17/67/81/595176781.db2.gz SMWVLYROOPTCIZ-UHFFFAOYSA-N 2 1 339.505 1.902 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000837762547 595189312 /nfs/dbraw/zinc/18/93/12/595189312.db2.gz NAKHYVPNPPGTEF-INIZCTEOSA-N 2 1 342.447 1.811 20 0 EDADMP CC[C@H]1CN(C)CCN1C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000837762547 595189313 /nfs/dbraw/zinc/18/93/13/595189313.db2.gz NAKHYVPNPPGTEF-INIZCTEOSA-N 2 1 342.447 1.811 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+]1CCCCC1 ZINC000837766157 595190747 /nfs/dbraw/zinc/19/07/47/595190747.db2.gz AENMJALMTCPFKJ-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000844162567 595288157 /nfs/dbraw/zinc/28/81/57/595288157.db2.gz XKAODZWLKFVHLK-SFHVURJKSA-N 2 1 331.460 1.490 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C2 ZINC000843111060 595288582 /nfs/dbraw/zinc/28/85/82/595288582.db2.gz CNQCMPBAUXCQCG-CRAIPNDOSA-N 2 1 333.407 1.503 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C2 ZINC000843111066 595288703 /nfs/dbraw/zinc/28/87/03/595288703.db2.gz CNQCMPBAUXCQCG-YJBOKZPZSA-N 2 1 333.407 1.503 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)c1cc(C)cc(C)c1)C2 ZINC000843113810 595289842 /nfs/dbraw/zinc/28/98/42/595289842.db2.gz PARWXDPKZKYCPT-YLJYHZDGSA-N 2 1 343.471 1.981 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)cn1 ZINC000844172141 595290992 /nfs/dbraw/zinc/29/09/92/595290992.db2.gz ZESVIDAESQNRCU-ZDUSSCGKSA-N 2 1 335.358 1.437 20 0 EDADMP [NH3+]Cc1cccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000844192509 595298524 /nfs/dbraw/zinc/29/85/24/595298524.db2.gz VLEGRGIIEQTRDY-UHFFFAOYSA-N 2 1 338.455 1.697 20 0 EDADMP [NH3+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844219588 595305220 /nfs/dbraw/zinc/30/52/20/595305220.db2.gz LRSOQJUOBZHXGA-HNNXBMFYSA-N 2 1 332.448 1.132 20 0 EDADMP C[NH2+]C1CC[NH+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000844219228 595305283 /nfs/dbraw/zinc/30/52/83/595305283.db2.gz IZEJTJPXQRSOHL-UHFFFAOYSA-N 2 1 346.475 1.536 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCC(F)(F)C(F)F ZINC000849105517 595482686 /nfs/dbraw/zinc/48/26/86/595482686.db2.gz RPYVENJDIBPRSN-JTQLQIEISA-N 2 1 328.354 1.502 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000849276338 595499918 /nfs/dbraw/zinc/49/99/18/595499918.db2.gz HNTFFSREJPSNPU-JKSUJKDBSA-N 2 1 343.585 1.207 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000849276338 595499919 /nfs/dbraw/zinc/49/99/19/595499919.db2.gz HNTFFSREJPSNPU-JKSUJKDBSA-N 3 1 343.585 1.207 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000849276338 595499920 /nfs/dbraw/zinc/49/99/20/595499920.db2.gz HNTFFSREJPSNPU-JKSUJKDBSA-N 3 1 343.585 1.207 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000849276338 595499921 /nfs/dbraw/zinc/49/99/21/595499921.db2.gz HNTFFSREJPSNPU-JKSUJKDBSA-N 3 1 343.585 1.207 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000849276338 595499922 /nfs/dbraw/zinc/49/99/22/595499922.db2.gz HNTFFSREJPSNPU-JKSUJKDBSA-N 3 1 343.585 1.207 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1[NH2+]CC12CCCC2 ZINC000852772950 595537372 /nfs/dbraw/zinc/53/73/72/595537372.db2.gz SYJCTFKDTOOVSY-INIZCTEOSA-N 2 1 335.492 1.670 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCCC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849480963 595546966 /nfs/dbraw/zinc/54/69/66/595546966.db2.gz IKDZCTJVROGNAX-SJORKVTESA-N 2 1 335.496 1.302 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849486335 595548327 /nfs/dbraw/zinc/54/83/27/595548327.db2.gz GMVNWYXRAILDIK-ZWKOTPCHSA-N 2 1 347.507 1.444 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC[NH+](CC3CC3)CC2)cn1 ZINC000849502971 595552719 /nfs/dbraw/zinc/55/27/19/595552719.db2.gz GJLGPAJSSUPNHF-QZTJIDSGSA-N 2 1 345.491 1.010 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849523867 595558655 /nfs/dbraw/zinc/55/86/55/595558655.db2.gz XSQZKGKGPZGSED-DLBZAZTESA-N 2 1 335.496 1.256 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000849552416 595563102 /nfs/dbraw/zinc/56/31/02/595563102.db2.gz FVGFLHOHKUWSGF-ULQDDVLXSA-N 2 1 333.480 1.008 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[C@H]1CCC[NH+](C)C1 ZINC000849552416 595563104 /nfs/dbraw/zinc/56/31/04/595563104.db2.gz FVGFLHOHKUWSGF-ULQDDVLXSA-N 2 1 333.480 1.008 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[C@H]1CCC[NH+](C)C1 ZINC000849552416 595563106 /nfs/dbraw/zinc/56/31/06/595563106.db2.gz FVGFLHOHKUWSGF-ULQDDVLXSA-N 2 1 333.480 1.008 20 0 EDADMP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3c[nH]nc32)(N2CCOCC2)CC1 ZINC000857868809 595637276 /nfs/dbraw/zinc/63/72/76/595637276.db2.gz CZQJVTPBAWXRNA-MRXNPFEDSA-N 2 1 333.480 1.173 20 0 EDADMP COc1cccc([C@H](O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000855346045 595680323 /nfs/dbraw/zinc/68/03/23/595680323.db2.gz MMZLGKJGPJSLDU-YOEHRIQHSA-N 2 1 337.464 1.117 20 0 EDADMP COc1cccc([C@H](O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000855346045 595680324 /nfs/dbraw/zinc/68/03/24/595680324.db2.gz MMZLGKJGPJSLDU-YOEHRIQHSA-N 2 1 337.464 1.117 20 0 EDADMP Cn1cc(CNCCN2CC[N@@H+](C)C(C)(C)C2)c(Br)n1 ZINC000858162318 595716221 /nfs/dbraw/zinc/71/62/21/595716221.db2.gz WWAUBVOIOGRZEV-UHFFFAOYSA-N 2 1 344.301 1.298 20 0 EDADMP Cn1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(Br)n1 ZINC000858162318 595716228 /nfs/dbraw/zinc/71/62/28/595716228.db2.gz WWAUBVOIOGRZEV-UHFFFAOYSA-N 2 1 344.301 1.298 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000851752946 595908078 /nfs/dbraw/zinc/90/80/78/595908078.db2.gz PHQYWYGAWMQSGX-HZPDHXFCSA-N 2 1 343.512 1.876 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000851752946 595908079 /nfs/dbraw/zinc/90/80/79/595908079.db2.gz PHQYWYGAWMQSGX-HZPDHXFCSA-N 2 1 343.512 1.876 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000851752946 595908081 /nfs/dbraw/zinc/90/80/81/595908081.db2.gz PHQYWYGAWMQSGX-HZPDHXFCSA-N 2 1 343.512 1.876 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000851752946 595908082 /nfs/dbraw/zinc/90/80/82/595908082.db2.gz PHQYWYGAWMQSGX-HZPDHXFCSA-N 2 1 343.512 1.876 20 0 EDADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851781652 595920874 /nfs/dbraw/zinc/92/08/74/595920874.db2.gz CHXSKKXQLFIHDV-HZPDHXFCSA-N 2 1 341.496 1.896 20 0 EDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851781652 595920877 /nfs/dbraw/zinc/92/08/77/595920877.db2.gz CHXSKKXQLFIHDV-HZPDHXFCSA-N 2 1 341.496 1.896 20 0 EDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851781652 595920879 /nfs/dbraw/zinc/92/08/79/595920879.db2.gz CHXSKKXQLFIHDV-HZPDHXFCSA-N 2 1 341.496 1.896 20 0 EDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851781652 595920881 /nfs/dbraw/zinc/92/08/81/595920881.db2.gz CHXSKKXQLFIHDV-HZPDHXFCSA-N 2 1 341.496 1.896 20 0 EDADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851781650 595921145 /nfs/dbraw/zinc/92/11/45/595921145.db2.gz CHXSKKXQLFIHDV-CVEARBPZSA-N 2 1 341.496 1.896 20 0 EDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851781650 595921146 /nfs/dbraw/zinc/92/11/46/595921146.db2.gz CHXSKKXQLFIHDV-CVEARBPZSA-N 2 1 341.496 1.896 20 0 EDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851781650 595921149 /nfs/dbraw/zinc/92/11/49/595921149.db2.gz CHXSKKXQLFIHDV-CVEARBPZSA-N 2 1 341.496 1.896 20 0 EDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851781650 595921152 /nfs/dbraw/zinc/92/11/52/595921152.db2.gz CHXSKKXQLFIHDV-CVEARBPZSA-N 2 1 341.496 1.896 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000856255920 595936830 /nfs/dbraw/zinc/93/68/30/595936830.db2.gz KELWQJLAFCFXFU-MAUKXSAKSA-N 2 1 341.471 1.257 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000856255920 595936831 /nfs/dbraw/zinc/93/68/31/595936831.db2.gz KELWQJLAFCFXFU-MAUKXSAKSA-N 2 1 341.471 1.257 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000856255920 595936833 /nfs/dbraw/zinc/93/68/33/595936833.db2.gz KELWQJLAFCFXFU-MAUKXSAKSA-N 2 1 341.471 1.257 20 0 EDADMP C[C@@H]1C[N@H+](CC[C@@H]2COC(C)(C)O2)CC[C@@H]1N1CCN(C)CC1 ZINC000851882739 595962177 /nfs/dbraw/zinc/96/21/77/595962177.db2.gz FJPVDECLJDBAHS-ZACQAIPSSA-N 2 1 325.497 1.486 20 0 EDADMP C[C@@H]1C[N@@H+](CC[C@@H]2COC(C)(C)O2)CC[C@@H]1N1CCN(C)CC1 ZINC000851882739 595962179 /nfs/dbraw/zinc/96/21/79/595962179.db2.gz FJPVDECLJDBAHS-ZACQAIPSSA-N 2 1 325.497 1.486 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CCC(=O)O3)C2)ccn1 ZINC000856585151 596024025 /nfs/dbraw/zinc/02/40/25/596024025.db2.gz ZYKJIPAZPFGANL-IRXDYDNUSA-N 2 1 333.432 1.692 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CCC(=O)O3)C2)ccn1 ZINC000856585151 596024029 /nfs/dbraw/zinc/02/40/29/596024029.db2.gz ZYKJIPAZPFGANL-IRXDYDNUSA-N 2 1 333.432 1.692 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCC(=O)O3)C2)ccn1 ZINC000856585151 596024033 /nfs/dbraw/zinc/02/40/33/596024033.db2.gz ZYKJIPAZPFGANL-IRXDYDNUSA-N 2 1 333.432 1.692 20 0 EDADMP CC(=O)NCCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856601022 596029831 /nfs/dbraw/zinc/02/98/31/596029831.db2.gz ZMFGATLTPYFMQC-IBGZPJMESA-N 2 1 348.491 1.901 20 0 EDADMP CC(=O)NCCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856601022 596029834 /nfs/dbraw/zinc/02/98/34/596029834.db2.gz ZMFGATLTPYFMQC-IBGZPJMESA-N 2 1 348.491 1.901 20 0 EDADMP CC(=O)NCCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856601022 596029836 /nfs/dbraw/zinc/02/98/36/596029836.db2.gz ZMFGATLTPYFMQC-IBGZPJMESA-N 2 1 348.491 1.901 20 0 EDADMP Cc1cccnc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000866669317 596285962 /nfs/dbraw/zinc/28/59/62/596285962.db2.gz XNGBKGZWWKKNQU-XHSDSOJGSA-N 2 1 332.448 1.689 20 0 EDADMP Cc1cccnc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000866669317 596285964 /nfs/dbraw/zinc/28/59/64/596285964.db2.gz XNGBKGZWWKKNQU-XHSDSOJGSA-N 2 1 332.448 1.689 20 0 EDADMP NC(=O)c1ccc(CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000866669154 596286272 /nfs/dbraw/zinc/28/62/72/596286272.db2.gz RSZCRWNLLZANCK-UONOGXRCSA-N 2 1 329.366 1.787 20 0 EDADMP NC(=O)c1ccc(CC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000866669154 596286273 /nfs/dbraw/zinc/28/62/73/596286273.db2.gz RSZCRWNLLZANCK-UONOGXRCSA-N 2 1 329.366 1.787 20 0 EDADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000866674088 596289148 /nfs/dbraw/zinc/28/91/48/596289148.db2.gz QSBVFJMANNXKID-HZPDHXFCSA-N 2 1 346.475 1.378 20 0 EDADMP c1c(C[NH2+][C@H]2CCCc3ccccc32)nnn1C[C@H]1C[NH2+]CCO1 ZINC000864650603 596297255 /nfs/dbraw/zinc/29/72/55/596297255.db2.gz DUMALGGRAAFQPX-AEFFLSMTSA-N 2 1 327.432 1.434 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000866705294 596301350 /nfs/dbraw/zinc/30/13/50/596301350.db2.gz XHQFIRGWIOKIRB-ZDUSSCGKSA-N 2 1 338.374 1.071 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000866705294 596301352 /nfs/dbraw/zinc/30/13/52/596301352.db2.gz XHQFIRGWIOKIRB-ZDUSSCGKSA-N 2 1 338.374 1.071 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870867745 596383506 /nfs/dbraw/zinc/38/35/06/596383506.db2.gz KYUYEVARISVMTH-KGLIPLIRSA-N 2 1 334.489 1.967 20 0 EDADMP [NH3+][C@H]1CC[C@@H](C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000870876577 596386722 /nfs/dbraw/zinc/38/67/22/596386722.db2.gz SKNGWFXMZIOHSK-CALCHBBNSA-N 2 1 345.491 1.227 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870893426 596393440 /nfs/dbraw/zinc/39/34/40/596393440.db2.gz UWEMQRFDVDZRHG-RCCFBDPRSA-N 2 1 344.503 1.831 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Cn1ccc(C)n1 ZINC000865090032 596470532 /nfs/dbraw/zinc/47/05/32/596470532.db2.gz VSUGOBKOSQRAML-SJLPKXTDSA-N 2 1 349.523 1.702 20 0 EDADMP COCC[N@H+]1[C@H](C)CN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000121783843 596517074 /nfs/dbraw/zinc/51/70/74/596517074.db2.gz PSIIETQAZMGJEV-NNXHMXCWSA-N 2 1 325.497 1.815 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000121783843 596517077 /nfs/dbraw/zinc/51/70/77/596517077.db2.gz PSIIETQAZMGJEV-NNXHMXCWSA-N 2 1 325.497 1.815 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000121783843 596517079 /nfs/dbraw/zinc/51/70/79/596517079.db2.gz PSIIETQAZMGJEV-NNXHMXCWSA-N 2 1 325.497 1.815 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000121783843 596517082 /nfs/dbraw/zinc/51/70/82/596517082.db2.gz PSIIETQAZMGJEV-NNXHMXCWSA-N 2 1 325.497 1.815 20 0 EDADMP C[C@]1(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CC[NH2+]C1 ZINC000863654281 596645217 /nfs/dbraw/zinc/64/52/17/596645217.db2.gz VSGFMXZOZGDSBD-RGHULWKBSA-N 2 1 345.409 1.717 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[C@@](C)([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000868071360 596676332 /nfs/dbraw/zinc/67/63/32/596676332.db2.gz OJADNQGJWPEROU-SPYBWZPUSA-N 2 1 331.460 1.859 20 0 EDADMP O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000865773216 596678263 /nfs/dbraw/zinc/67/82/63/596678263.db2.gz JXHPBRWZJRSZQN-IAGOWNOFSA-N 2 1 342.443 1.455 20 0 EDADMP O=C1NCCN1Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000865815886 596694805 /nfs/dbraw/zinc/69/48/05/596694805.db2.gz PQJOAAABHNTIFU-ROUUACIJSA-N 2 1 328.460 1.928 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[N@H+]1C1CC1 ZINC000868231358 596736720 /nfs/dbraw/zinc/73/67/20/596736720.db2.gz DIIOCACUHYJMSE-QQDQCYIDSA-N 2 1 342.443 1.181 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868229928 596736783 /nfs/dbraw/zinc/73/67/83/596736783.db2.gz UMYKLPLRYLWIJE-JKSUJKDBSA-N 2 1 332.448 1.288 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242150 596741829 /nfs/dbraw/zinc/74/18/29/596741829.db2.gz DFILLRSBJDYGRR-XOKHGSTOSA-N 2 1 346.475 1.676 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868243764 596743235 /nfs/dbraw/zinc/74/32/35/596743235.db2.gz NPAYVYGDHBTGTR-XOKHGSTOSA-N 2 1 344.459 1.382 20 0 EDADMP C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000870121499 596759890 /nfs/dbraw/zinc/75/98/90/596759890.db2.gz DYSXXWAMOWUSPI-IEBWSBKVSA-N 2 1 342.487 1.282 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000870121499 596759897 /nfs/dbraw/zinc/75/98/97/596759897.db2.gz DYSXXWAMOWUSPI-IEBWSBKVSA-N 2 1 342.487 1.282 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1)[C@@H]1CCC[NH2+]1 ZINC000872142761 596808825 /nfs/dbraw/zinc/80/88/25/596808825.db2.gz CNLGHIKEAKPNIZ-ATIWLJMLSA-N 2 1 335.492 1.524 20 0 EDADMP Cc1conc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000872145526 596810027 /nfs/dbraw/zinc/81/00/27/596810027.db2.gz SRKCJDLEZRADJR-AWEZNQCLSA-N 2 1 330.436 1.495 20 0 EDADMP Cc1conc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000872145526 596810030 /nfs/dbraw/zinc/81/00/30/596810030.db2.gz SRKCJDLEZRADJR-AWEZNQCLSA-N 2 1 330.436 1.495 20 0 EDADMP COC(=O)c1ccccc1OCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872151472 596813534 /nfs/dbraw/zinc/81/35/34/596813534.db2.gz KWKRITLWUUTUMP-YPMHNXCESA-N 2 1 346.349 1.921 20 0 EDADMP COC(=O)c1ccccc1OCC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872151472 596813535 /nfs/dbraw/zinc/81/35/35/596813535.db2.gz KWKRITLWUUTUMP-YPMHNXCESA-N 2 1 346.349 1.921 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000872254615 596855805 /nfs/dbraw/zinc/85/58/05/596855805.db2.gz ARRDORQDPPESTE-OPMHOGFOSA-N 2 1 331.391 1.706 20 0 EDADMP CCCOc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254342 596855854 /nfs/dbraw/zinc/85/58/54/596855854.db2.gz ADYMGRQDHIOEFH-NXHRZFHOSA-N 2 1 345.443 1.842 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C(C)(C)C)n1 ZINC000872256222 596856499 /nfs/dbraw/zinc/85/64/99/596856499.db2.gz QUVVZLUINMMZRB-KFWWJZLASA-N 2 1 347.463 1.085 20 0 EDADMP COc1ccccc1/C=C\C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255969 596856674 /nfs/dbraw/zinc/85/66/74/596856674.db2.gz PILQBFLCFYKNBL-QWMDGAIUSA-N 2 1 343.427 1.575 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CC(C)=NO1 ZINC000875970881 597051991 /nfs/dbraw/zinc/05/19/91/597051991.db2.gz IDRABBBZMUTWLF-HZPDHXFCSA-N 2 1 339.484 1.209 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)C1 ZINC000876520326 597228926 /nfs/dbraw/zinc/22/89/26/597228926.db2.gz JFXLFYZNHCZDJD-YOEHRIQHSA-N 2 1 345.443 1.876 20 0 EDADMP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873213547 597229765 /nfs/dbraw/zinc/22/97/65/597229765.db2.gz HKLXENNWRKPTPH-AWEZNQCLSA-N 2 1 347.406 1.894 20 0 EDADMP COc1ccccc1[C@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000873221789 597231315 /nfs/dbraw/zinc/23/13/15/597231315.db2.gz QGCIHRLAVLUZKC-CRAIPNDOSA-N 2 1 347.459 1.266 20 0 EDADMP COc1ccccc1[C@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000873221789 597231319 /nfs/dbraw/zinc/23/13/19/597231319.db2.gz QGCIHRLAVLUZKC-CRAIPNDOSA-N 2 1 347.459 1.266 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)[C@@H]2CCC[C@H]21 ZINC000873245342 597237751 /nfs/dbraw/zinc/23/77/51/597237751.db2.gz ZFHLTVZCUYETCF-GBESFXJTSA-N 3 1 340.475 1.688 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000875134608 597296609 /nfs/dbraw/zinc/29/66/09/597296609.db2.gz YATBCQIUUBRYSM-CEXWTWQISA-N 2 1 344.503 1.895 20 0 EDADMP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCCn1cc[nH+]c1C ZINC000876747025 597319671 /nfs/dbraw/zinc/31/96/71/597319671.db2.gz SHVYQQHBQHLFKK-UHFFFAOYSA-N 2 1 333.461 1.853 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000876756789 597324698 /nfs/dbraw/zinc/32/46/98/597324698.db2.gz YNXYDBUKXNHHLD-FRFSOERESA-N 2 1 335.423 1.966 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000876765928 597330140 /nfs/dbraw/zinc/33/01/40/597330140.db2.gz WWDGGQCODJYLSI-MRXNPFEDSA-N 2 1 331.464 1.426 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000876781425 597338698 /nfs/dbraw/zinc/33/86/98/597338698.db2.gz LIBKFYMTCHNTDM-IIAWOOMASA-N 2 1 331.464 1.471 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c(C)cnn1[C@H]1CCC[NH2+]C1 ZINC000876881560 597368632 /nfs/dbraw/zinc/36/86/32/597368632.db2.gz JSNCQFGHFQNLGI-HOTGVXAUSA-N 2 1 335.496 1.966 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000877230091 597469782 /nfs/dbraw/zinc/46/97/82/597469782.db2.gz WYPDTRBWMFHXKR-CGTJXYLNSA-N 2 1 349.450 1.260 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000877230091 597469783 /nfs/dbraw/zinc/46/97/83/597469783.db2.gz WYPDTRBWMFHXKR-CGTJXYLNSA-N 2 1 349.450 1.260 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000877229720 597469837 /nfs/dbraw/zinc/46/98/37/597469837.db2.gz QJZOEENBRRGVTG-HKUYNNGSSA-N 2 1 331.460 1.454 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000877229720 597469838 /nfs/dbraw/zinc/46/98/38/597469838.db2.gz QJZOEENBRRGVTG-HKUYNNGSSA-N 2 1 331.460 1.454 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000877231663 597470504 /nfs/dbraw/zinc/47/05/04/597470504.db2.gz QEVALCHEGJZQJY-GOSISDBHSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000877231663 597470505 /nfs/dbraw/zinc/47/05/05/597470505.db2.gz QEVALCHEGJZQJY-GOSISDBHSA-N 2 1 331.460 1.312 20 0 EDADMP O[C@@]1(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000878043981 597571512 /nfs/dbraw/zinc/57/15/12/597571512.db2.gz DDOVPRXWMBEYNO-UYAOXDASSA-N 2 1 346.471 1.708 20 0 EDADMP O[C@@]1(C[N@H+]2CCC[C@@H](C3OCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000878043981 597571513 /nfs/dbraw/zinc/57/15/13/597571513.db2.gz DDOVPRXWMBEYNO-UYAOXDASSA-N 2 1 346.471 1.708 20 0 EDADMP O[C@@]1(C[NH+]2CCC[C@@H](C3OCCO3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000878043981 597571514 /nfs/dbraw/zinc/57/15/14/597571514.db2.gz DDOVPRXWMBEYNO-UYAOXDASSA-N 2 1 346.471 1.708 20 0 EDADMP O[C@@]1(C[NH+]2CCC[C@@H](C3OCCO3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000878043981 597571515 /nfs/dbraw/zinc/57/15/15/597571515.db2.gz DDOVPRXWMBEYNO-UYAOXDASSA-N 2 1 346.471 1.708 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000878047354 597571949 /nfs/dbraw/zinc/57/19/49/597571949.db2.gz DTIFXPFMJMBHCC-MRXNPFEDSA-N 2 1 345.443 1.763 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000878047354 597571950 /nfs/dbraw/zinc/57/19/50/597571950.db2.gz DTIFXPFMJMBHCC-MRXNPFEDSA-N 2 1 345.443 1.763 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+](CCO)[C@@H]2CCc3ccccc32)CC1 ZINC000878168738 597583740 /nfs/dbraw/zinc/58/37/40/597583740.db2.gz GEHAWWDPWVWLPW-GOSISDBHSA-N 2 1 331.460 1.179 20 0 EDADMP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)CC2(O)CCCC2)CC1 ZINC000878545300 597629427 /nfs/dbraw/zinc/62/94/27/597629427.db2.gz RNIGSKBPOJDMSK-HNNXBMFYSA-N 2 1 335.448 1.268 20 0 EDADMP COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879569134 597635266 /nfs/dbraw/zinc/63/52/66/597635266.db2.gz KBOHLSGAQHEGFM-LMMKCTJWSA-N 2 1 334.460 1.599 20 0 EDADMP COc1cccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879569134 597635269 /nfs/dbraw/zinc/63/52/69/597635269.db2.gz KBOHLSGAQHEGFM-LMMKCTJWSA-N 2 1 334.460 1.599 20 0 EDADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000879569134 597635272 /nfs/dbraw/zinc/63/52/72/597635272.db2.gz KBOHLSGAQHEGFM-LMMKCTJWSA-N 2 1 334.460 1.599 20 0 EDADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000879569134 597635277 /nfs/dbraw/zinc/63/52/77/597635277.db2.gz KBOHLSGAQHEGFM-LMMKCTJWSA-N 2 1 334.460 1.599 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000881634857 597667400 /nfs/dbraw/zinc/66/74/00/597667400.db2.gz FZTKIBDNESRFLF-KRWDZBQOSA-N 2 1 345.491 1.146 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000878864880 597738143 /nfs/dbraw/zinc/73/81/43/597738143.db2.gz BXMDIHIUYZZMPA-AEFFLSMTSA-N 2 1 326.481 1.351 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000878864880 597738145 /nfs/dbraw/zinc/73/81/45/597738145.db2.gz BXMDIHIUYZZMPA-AEFFLSMTSA-N 2 1 326.481 1.351 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3ccccc3C(N)=O)C2)CC1 ZINC000878866453 597738935 /nfs/dbraw/zinc/73/89/35/597738935.db2.gz LDIWJBLHKOAJGO-UHFFFAOYSA-N 2 1 330.432 1.142 20 0 EDADMP C[C@@H](NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)[C@H](C)[NH3+] ZINC000883586355 597814525 /nfs/dbraw/zinc/81/45/25/597814525.db2.gz KDAFCWLKRVXWTI-JJRVBVJISA-N 2 1 331.464 1.828 20 0 EDADMP [NH3+]C[C@H]1CCCN1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883586321 597814691 /nfs/dbraw/zinc/81/46/91/597814691.db2.gz JCBKFVIXDZLTRJ-MSOLQXFVSA-N 2 1 343.475 1.926 20 0 EDADMP CN(C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)[C@H]1CC[NH2+]C1 ZINC000883586773 597815192 /nfs/dbraw/zinc/81/51/92/597815192.db2.gz SAJYZJYYJSGXHR-ZWKOTPCHSA-N 2 1 343.475 1.797 20 0 EDADMP COCC[N@H+](CC(=O)N(C)Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000879122845 597826131 /nfs/dbraw/zinc/82/61/31/597826131.db2.gz QQUDGMUJYPUYPO-UHFFFAOYSA-N 2 1 347.503 1.935 20 0 EDADMP COc1cc(C[NH+]2CC=C[C@H]2CO)cc(C[N@@H+]2CC=C[C@H]2CO)c1 ZINC000880493002 597946778 /nfs/dbraw/zinc/94/67/78/597946778.db2.gz XNLDLDZUUJSXAL-ROUUACIJSA-N 2 1 330.428 1.161 20 0 EDADMP COc1cc(C[NH+]2CC=C[C@H]2CO)cc(C[N@H+]2CC=C[C@H]2CO)c1 ZINC000880493002 597946779 /nfs/dbraw/zinc/94/67/79/597946779.db2.gz XNLDLDZUUJSXAL-ROUUACIJSA-N 2 1 330.428 1.161 20 0 EDADMP [NH3+][C@@H](C(=O)NCCCN1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000884005903 597966793 /nfs/dbraw/zinc/96/67/93/597966793.db2.gz YZPDPDXBRAJJFN-CQSZACIVSA-N 2 1 344.381 1.117 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000882487629 597974535 /nfs/dbraw/zinc/97/45/35/597974535.db2.gz XUSITCLYSDKOOJ-GOSISDBHSA-N 2 1 330.476 1.653 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)CCO1 ZINC000884042515 597975989 /nfs/dbraw/zinc/97/59/89/597975989.db2.gz BANWVBGVQZAEOO-BIMULSAOSA-N 2 1 331.338 1.280 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C ZINC000880664157 597990852 /nfs/dbraw/zinc/99/08/52/597990852.db2.gz MPIDGNOPYOSKJG-ZQIUZPCESA-N 2 1 335.496 1.464 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C ZINC000880664157 597990854 /nfs/dbraw/zinc/99/08/54/597990854.db2.gz MPIDGNOPYOSKJG-ZQIUZPCESA-N 2 1 335.496 1.464 20 0 EDADMP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000884208352 598029493 /nfs/dbraw/zinc/02/94/93/598029493.db2.gz XRLHNXUDXWMOFX-BHYGNILZSA-N 2 1 343.427 1.282 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)[C@H]([NH3+])C(C)C)C[C@H]1C ZINC000884331590 598070566 /nfs/dbraw/zinc/07/05/66/598070566.db2.gz SAOQPPAXCVFUBH-UKRRQHHQSA-N 2 1 327.469 1.092 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)[C@H]([NH3+])C(C)C)C[C@H]1C ZINC000884331590 598070568 /nfs/dbraw/zinc/07/05/68/598070568.db2.gz SAOQPPAXCVFUBH-UKRRQHHQSA-N 2 1 327.469 1.092 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000884363267 598082099 /nfs/dbraw/zinc/08/20/99/598082099.db2.gz ZKBHIJNCKKREHH-BDAKNGLRSA-N 2 1 344.278 1.969 20 0 EDADMP c1cc(-c2nn[nH]n2)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000738411383 599453320 /nfs/dbraw/zinc/45/33/20/599453320.db2.gz CFXSOXUOYVFGEC-OAHLLOKOSA-N 2 1 342.447 1.457 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000914115846 695121763 /nfs/dbraw/zinc/12/17/63/695121763.db2.gz HIMLABPHTFETHM-CVEARBPZSA-N 2 1 329.510 1.076 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000262120591 695322465 /nfs/dbraw/zinc/32/24/65/695322465.db2.gz NHCZIUQWWLHVLD-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP CN(CCC(=O)N1CC[NH2+]CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262120591 695322468 /nfs/dbraw/zinc/32/24/68/695322468.db2.gz NHCZIUQWWLHVLD-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP CN(CCC(=O)N1CC[NH2+]CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262120591 695322472 /nfs/dbraw/zinc/32/24/72/695322472.db2.gz NHCZIUQWWLHVLD-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)NCCCCn1ccnc1 ZINC000914327089 695361048 /nfs/dbraw/zinc/36/10/48/695361048.db2.gz BLIMVYMFRGTOGW-HNNXBMFYSA-N 2 1 326.466 1.069 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CN(CCC2CCOCC2)C1 ZINC001031050349 695380785 /nfs/dbraw/zinc/38/07/85/695380785.db2.gz JJSQTBRPNWDNBD-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC2CCOCC2)C1 ZINC001031050349 695380787 /nfs/dbraw/zinc/38/07/87/695380787.db2.gz JJSQTBRPNWDNBD-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@@H+]1CCCO ZINC000993399507 696049834 /nfs/dbraw/zinc/04/98/34/696049834.db2.gz UDUBKIZPZUJVOU-ZFWWWQNUSA-N 2 1 339.505 1.775 20 0 EDADMP C[C@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@H+]1CCCO ZINC000993399507 696049837 /nfs/dbraw/zinc/04/98/37/696049837.db2.gz UDUBKIZPZUJVOU-ZFWWWQNUSA-N 2 1 339.505 1.775 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)C(C)C ZINC000916165743 696632498 /nfs/dbraw/zinc/63/24/98/696632498.db2.gz WKXJQDPRGAEVMD-LSDHHAIUSA-N 2 1 328.526 1.596 20 0 EDADMP O=C(NCc1cn2c(n1)CCCC2)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000916341989 696653134 /nfs/dbraw/zinc/65/31/34/696653134.db2.gz OJFZVQLOTCBQBD-HUUCEWRRSA-N 2 1 349.504 1.598 20 0 EDADMP Cc1ncccc1C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994257801 696664077 /nfs/dbraw/zinc/66/40/77/696664077.db2.gz UGHVPESTLVGUEH-AEFFLSMTSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000940008516 700110333 /nfs/dbraw/zinc/11/03/33/700110333.db2.gz QOHCQRBJAYFJNI-INIZCTEOSA-N 2 1 334.464 1.856 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)[NH+](C)C1CC1 ZINC000916851832 696803033 /nfs/dbraw/zinc/80/30/33/696803033.db2.gz SCBRICSUEIZFRE-BPLDGKMQSA-N 2 1 326.510 1.348 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)[N@H+](C)C1CC1 ZINC000916851832 696803036 /nfs/dbraw/zinc/80/30/36/696803036.db2.gz SCBRICSUEIZFRE-BPLDGKMQSA-N 2 1 326.510 1.348 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)[N@@H+](C)C1CC1 ZINC000916851832 696803041 /nfs/dbraw/zinc/80/30/41/696803041.db2.gz SCBRICSUEIZFRE-BPLDGKMQSA-N 2 1 326.510 1.348 20 0 EDADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000917009819 696875854 /nfs/dbraw/zinc/87/58/54/696875854.db2.gz AHMFWYNFFXKSDX-IAGOWNOFSA-N 2 1 346.475 1.497 20 0 EDADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000917009819 696875858 /nfs/dbraw/zinc/87/58/58/696875858.db2.gz AHMFWYNFFXKSDX-IAGOWNOFSA-N 2 1 346.475 1.497 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCC[N@H+]1CC1CC(F)(F)C1 ZINC000994512416 696957057 /nfs/dbraw/zinc/95/70/57/696957057.db2.gz YVFWVEPPCDDETH-OCCSQVGLSA-N 2 1 326.391 1.898 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CN(CC[C@H]3CCc4ccccc43)C2)C1 ZINC001031382585 697001071 /nfs/dbraw/zinc/00/10/71/697001071.db2.gz YRCDJKHKLZMIHP-IAGOWNOFSA-N 2 1 327.472 1.859 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](CC[C@H]3CCc4ccccc43)C2)C1 ZINC001031382585 697001074 /nfs/dbraw/zinc/00/10/74/697001074.db2.gz YRCDJKHKLZMIHP-IAGOWNOFSA-N 2 1 327.472 1.859 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](CC[C@H]3CCc4ccccc43)C2)C1 ZINC001031382585 697001077 /nfs/dbraw/zinc/00/10/77/697001077.db2.gz YRCDJKHKLZMIHP-IAGOWNOFSA-N 2 1 327.472 1.859 20 0 EDADMP C[C@@H](CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000918120745 697133625 /nfs/dbraw/zinc/13/36/25/697133625.db2.gz KSMUORSDFMUETH-YESZJQIVSA-N 2 1 340.512 1.659 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000918122223 697134040 /nfs/dbraw/zinc/13/40/40/697134040.db2.gz SUBPTGJYTJZWQS-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001031584868 697280425 /nfs/dbraw/zinc/28/04/25/697280425.db2.gz KTUGYYYCLAZRCN-GOSISDBHSA-N 2 1 326.444 1.810 20 0 EDADMP C[NH+]1CCC(NC(=S)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000920311879 697421873 /nfs/dbraw/zinc/42/18/73/697421873.db2.gz GJIQEUBWCBGCRB-UHFFFAOYSA-N 2 1 338.546 1.665 20 0 EDADMP C[NH+]1CCC(NC(=S)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000920311879 697421875 /nfs/dbraw/zinc/42/18/75/697421875.db2.gz GJIQEUBWCBGCRB-UHFFFAOYSA-N 2 1 338.546 1.665 20 0 EDADMP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)s1 ZINC001031668528 697461309 /nfs/dbraw/zinc/46/13/09/697461309.db2.gz IQJKAKNXTBQDKW-JKSUJKDBSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)s1 ZINC001031668528 697461310 /nfs/dbraw/zinc/46/13/10/697461310.db2.gz IQJKAKNXTBQDKW-JKSUJKDBSA-N 2 1 348.516 1.874 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3oc(C)nc3C)C2)CC[N@@H+]1C ZINC001031684615 697511841 /nfs/dbraw/zinc/51/18/41/697511841.db2.gz VAJOCCBPQDHKQI-JKSUJKDBSA-N 2 1 334.464 1.570 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3oc(C)nc3C)C2)CC[N@H+]1C ZINC001031684615 697511843 /nfs/dbraw/zinc/51/18/43/697511843.db2.gz VAJOCCBPQDHKQI-JKSUJKDBSA-N 2 1 334.464 1.570 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001031683911 697514545 /nfs/dbraw/zinc/51/45/45/697514545.db2.gz CIAFGEBFWXCIEK-MAUKXSAKSA-N 2 1 348.491 1.824 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001031683911 697514546 /nfs/dbraw/zinc/51/45/46/697514546.db2.gz CIAFGEBFWXCIEK-MAUKXSAKSA-N 2 1 348.491 1.824 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2nc(CN(C)C)cs2)[C@@H](C)C1 ZINC000921422656 697601803 /nfs/dbraw/zinc/60/18/03/697601803.db2.gz BLETUZATVUSCGX-JSGCOSHPSA-N 2 1 339.509 1.733 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000921424715 697602820 /nfs/dbraw/zinc/60/28/20/697602820.db2.gz PBXPYVWOISTRQP-HYVNUMGLSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000921424715 697602822 /nfs/dbraw/zinc/60/28/22/697602822.db2.gz PBXPYVWOISTRQP-HYVNUMGLSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000921424715 697602823 /nfs/dbraw/zinc/60/28/23/697602823.db2.gz PBXPYVWOISTRQP-HYVNUMGLSA-N 2 1 338.496 1.268 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001031715543 697737025 /nfs/dbraw/zinc/73/70/25/697737025.db2.gz VGHNEWCODJDZGH-FUHWJXTLSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2nnc(C)s2)C1 ZINC000995041773 700258713 /nfs/dbraw/zinc/25/87/13/700258713.db2.gz YWUZPLYHTBLDSM-ZIAGYGMSSA-N 2 1 348.476 1.426 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031766110 699055421 /nfs/dbraw/zinc/05/54/21/699055421.db2.gz BINDVWVYWKHZKV-WMZOPIPTSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001031766110 699055422 /nfs/dbraw/zinc/05/54/22/699055422.db2.gz BINDVWVYWKHZKV-WMZOPIPTSA-N 2 1 346.475 1.856 20 0 EDADMP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000939063328 699121670 /nfs/dbraw/zinc/12/16/70/699121670.db2.gz DAQZBHSXEMFRFS-SUMWQHHRSA-N 2 1 346.475 1.830 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cncs1 ZINC000939138225 699229024 /nfs/dbraw/zinc/22/90/24/699229024.db2.gz UQZSBBPTEQHUGL-ZFWWWQNUSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1ncoc1CN1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031806996 699415711 /nfs/dbraw/zinc/41/57/11/699415711.db2.gz XONPHNKMFFUTIQ-MRXNPFEDSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031806996 699415715 /nfs/dbraw/zinc/41/57/15/699415715.db2.gz XONPHNKMFFUTIQ-MRXNPFEDSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031806996 699415717 /nfs/dbraw/zinc/41/57/17/699415717.db2.gz XONPHNKMFFUTIQ-MRXNPFEDSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)no1 ZINC000939257147 699434219 /nfs/dbraw/zinc/43/42/19/699434219.db2.gz KGZTXSHUQZYALN-SUMWQHHRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)oc1C ZINC000939258206 699435857 /nfs/dbraw/zinc/43/58/57/699435857.db2.gz QLCDOPBWWPBZMQ-GUYCJALGSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)co1 ZINC000939398271 699547405 /nfs/dbraw/zinc/54/74/05/699547405.db2.gz NSWFHZBUTMUHOQ-PBHICJAKSA-N 2 1 334.464 1.651 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)o1 ZINC000939543605 699684749 /nfs/dbraw/zinc/68/47/49/699684749.db2.gz FGKWCXZFJHTTDV-HIFRSBDPSA-N 2 1 332.448 1.269 20 0 EDADMP CC(C)c1ocnc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939544068 699685334 /nfs/dbraw/zinc/68/53/34/699685334.db2.gz HRYXKYUKMNZJRJ-GDBMZVCRSA-N 2 1 346.475 1.830 20 0 EDADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000939544802 699686676 /nfs/dbraw/zinc/68/66/76/699686676.db2.gz MWSIOISGUUYAIV-UKRRQHHQSA-N 2 1 344.459 1.584 20 0 EDADMP CCc1onc(C)c1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000939755537 699906758 /nfs/dbraw/zinc/90/67/58/699906758.db2.gz QTZOJGIXVNHXOY-WBMJQRKESA-N 2 1 345.447 1.687 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncc(C)c2)C1 ZINC000939745185 699910817 /nfs/dbraw/zinc/91/08/17/699910817.db2.gz BEIZHPMLLRGYPN-RHSMWYFYSA-N 2 1 327.432 1.532 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940141778 700269282 /nfs/dbraw/zinc/26/92/82/700269282.db2.gz GGQKAJVXFCHUGC-KRWDZBQOSA-N 2 1 347.507 1.765 20 0 EDADMP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000940328361 700506355 /nfs/dbraw/zinc/50/63/55/700506355.db2.gz HPPLTOKIWAUDCP-HNNXBMFYSA-N 2 1 348.495 1.253 20 0 EDADMP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC000940328410 700506963 /nfs/dbraw/zinc/50/69/63/700506963.db2.gz JELPGDMTJVIYKH-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccccn2)CC1 ZINC000940328891 700507398 /nfs/dbraw/zinc/50/73/98/700507398.db2.gz MQDBVIYAJXRRKO-WBVHZDCISA-N 2 1 330.476 1.750 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940328950 700507907 /nfs/dbraw/zinc/50/79/07/700507907.db2.gz ONLJCRQYWXAKPX-ZDUSSCGKSA-N 2 1 337.493 1.493 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cncs2)CC1(C)C ZINC000940625362 700787153 /nfs/dbraw/zinc/78/71/53/700787153.db2.gz RMPVHWKGSUHKQJ-HUUCEWRRSA-N 2 1 336.505 1.954 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cncs2)CC1(C)C ZINC000940625362 700787154 /nfs/dbraw/zinc/78/71/54/700787154.db2.gz RMPVHWKGSUHKQJ-HUUCEWRRSA-N 2 1 336.505 1.954 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cncs2)CC1(C)C ZINC000940625362 700787156 /nfs/dbraw/zinc/78/71/56/700787156.db2.gz RMPVHWKGSUHKQJ-HUUCEWRRSA-N 2 1 336.505 1.954 20 0 EDADMP CN1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](C/C=C\Cl)CC2(C)C)C1 ZINC000940647514 700809738 /nfs/dbraw/zinc/80/97/38/700809738.db2.gz QFGMZFDMNRZCHE-WFVZMWEJSA-N 2 1 329.872 1.286 20 0 EDADMP CN1CCO[C@H](C(=O)N[C@H]2CCN(C/C=C\Cl)CC2(C)C)C1 ZINC000940647514 700809741 /nfs/dbraw/zinc/80/97/41/700809741.db2.gz QFGMZFDMNRZCHE-WFVZMWEJSA-N 2 1 329.872 1.286 20 0 EDADMP CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000940917973 700995450 /nfs/dbraw/zinc/99/54/50/700995450.db2.gz HDTHJMTZJVBSPF-SJORKVTESA-N 2 1 337.508 1.460 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001031919051 701041134 /nfs/dbraw/zinc/04/11/34/701041134.db2.gz LTJOQKSGBLDKRN-QZTJIDSGSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C)C2 ZINC000941031886 701073317 /nfs/dbraw/zinc/07/33/17/701073317.db2.gz CRSAIZQLUBRQTC-DOTOQJQBSA-N 2 1 348.491 1.353 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C)C2 ZINC000941031886 701073321 /nfs/dbraw/zinc/07/33/21/701073321.db2.gz CRSAIZQLUBRQTC-DOTOQJQBSA-N 2 1 348.491 1.353 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCCO)CC2(C)C)cc1 ZINC000941093580 701137607 /nfs/dbraw/zinc/13/76/07/701137607.db2.gz RIOQBUCMRGACMR-SFHVURJKSA-N 2 1 347.503 1.961 20 0 EDADMP Cc1cnc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)o1 ZINC000941217986 701399442 /nfs/dbraw/zinc/39/94/42/701399442.db2.gz VEMWAPIFVYNNFC-GJZGRUSLSA-N 2 1 334.464 1.651 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCC(C)C)CC2(C)C)C1 ZINC000941231055 701404930 /nfs/dbraw/zinc/40/49/30/701404930.db2.gz MKQLYIVMPMRIGY-IRXDYDNUSA-N 2 1 339.524 1.970 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCC(C)C)CC2(C)C)C1 ZINC000941231055 701404931 /nfs/dbraw/zinc/40/49/31/701404931.db2.gz MKQLYIVMPMRIGY-IRXDYDNUSA-N 2 1 339.524 1.970 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCC(C)C)CC2(C)C)C1 ZINC000941231055 701404932 /nfs/dbraw/zinc/40/49/32/701404932.db2.gz MKQLYIVMPMRIGY-IRXDYDNUSA-N 2 1 339.524 1.970 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCC(C)C)CC2(C)C)C1 ZINC000941231055 701404933 /nfs/dbraw/zinc/40/49/33/701404933.db2.gz MKQLYIVMPMRIGY-IRXDYDNUSA-N 2 1 339.524 1.970 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCC(C)C)CC2(C)C)C1 ZINC000941231056 701405026 /nfs/dbraw/zinc/40/50/26/701405026.db2.gz MKQLYIVMPMRIGY-SJORKVTESA-N 2 1 339.524 1.970 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCC(C)C)CC2(C)C)C1 ZINC000941231056 701405028 /nfs/dbraw/zinc/40/50/28/701405028.db2.gz MKQLYIVMPMRIGY-SJORKVTESA-N 2 1 339.524 1.970 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCC(C)C)CC2(C)C)C1 ZINC000941231056 701405029 /nfs/dbraw/zinc/40/50/29/701405029.db2.gz MKQLYIVMPMRIGY-SJORKVTESA-N 2 1 339.524 1.970 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC(C)C)CC2(C)C)C1 ZINC000941231056 701405031 /nfs/dbraw/zinc/40/50/31/701405031.db2.gz MKQLYIVMPMRIGY-SJORKVTESA-N 2 1 339.524 1.970 20 0 EDADMP CC1(C)C[N@@H+](CCOC2CCC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221129 701411409 /nfs/dbraw/zinc/41/14/09/701411409.db2.gz LJSUFPPIRMBWHG-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408630 701521085 /nfs/dbraw/zinc/52/10/85/701521085.db2.gz NQZJDUBNFUWMKC-IRXDYDNUSA-N 2 1 334.508 1.098 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941443956 701535795 /nfs/dbraw/zinc/53/57/95/701535795.db2.gz XOSIDFVUBHAQRZ-MRXNPFEDSA-N 2 1 340.487 1.049 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCC3CCOCC3)C2)CC[N@H+]1C ZINC000999188661 706630077 /nfs/dbraw/zinc/63/00/77/706630077.db2.gz CJRFQEKLHIBIHS-BPQIPLTHSA-N 2 1 337.508 1.724 20 0 EDADMP CCc1onc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189943 706632332 /nfs/dbraw/zinc/63/23/32/706632332.db2.gz ORPGKHDWYKSTRA-BZUAXINKSA-N 2 1 348.491 1.966 20 0 EDADMP CCc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)c1 ZINC001031977213 702015251 /nfs/dbraw/zinc/01/52/51/702015251.db2.gz AWKIEIOQKGAYMO-KXBFYZLASA-N 2 1 329.488 1.995 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH2+]Cc1nncs1 ZINC000995824277 702095342 /nfs/dbraw/zinc/09/53/42/702095342.db2.gz ODMOBDDHOROQGQ-KBPBESRZSA-N 2 1 349.504 1.207 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3nonc3C)C(C)(C)C2)CC[N@@H+]1C ZINC000995827731 702101580 /nfs/dbraw/zinc/10/15/80/702101580.db2.gz VWUWOTLKAGRVSO-IMJJTQAJSA-N 2 1 349.479 1.435 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3nonc3C)C(C)(C)C2)CC[N@H+]1C ZINC000995827731 702101582 /nfs/dbraw/zinc/10/15/82/702101582.db2.gz VWUWOTLKAGRVSO-IMJJTQAJSA-N 2 1 349.479 1.435 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nonc2C)C(C)(C)C1 ZINC000995886642 702222502 /nfs/dbraw/zinc/22/25/02/702222502.db2.gz NDSNGMMFCULNEU-HOTGVXAUSA-N 2 1 349.479 1.579 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nonc2C)C(C)(C)C1 ZINC000995886642 702222506 /nfs/dbraw/zinc/22/25/06/702222506.db2.gz NDSNGMMFCULNEU-HOTGVXAUSA-N 2 1 349.479 1.579 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995886856 702223608 /nfs/dbraw/zinc/22/36/08/702223608.db2.gz ODLYIVHUGGOCAV-IRXDYDNUSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995975780 702332492 /nfs/dbraw/zinc/33/24/92/702332492.db2.gz JOYHIMUUGVOXNP-IAGOWNOFSA-N 2 1 345.491 1.596 20 0 EDADMP Cn1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)cn1 ZINC000995986440 702348870 /nfs/dbraw/zinc/34/88/70/702348870.db2.gz YHXVWYFJUCXBLY-HOTGVXAUSA-N 2 1 333.480 1.231 20 0 EDADMP CCn1nncc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995972417 702356723 /nfs/dbraw/zinc/35/67/23/702356723.db2.gz DTJDWEVMMJZPCJ-CVEARBPZSA-N 2 1 348.495 1.109 20 0 EDADMP COc1ccccc1OCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032187167 702366413 /nfs/dbraw/zinc/36/64/13/702366413.db2.gz HMUPCFBEZQGJDC-INIZCTEOSA-N 2 1 347.459 1.074 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)cs1 ZINC000944168540 702408482 /nfs/dbraw/zinc/40/84/82/702408482.db2.gz JGHWWUFTVSKNSE-XJKSGUPXSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)cs1 ZINC000944168540 702408487 /nfs/dbraw/zinc/40/84/87/702408487.db2.gz JGHWWUFTVSKNSE-XJKSGUPXSA-N 2 1 348.516 1.874 20 0 EDADMP C[C@H]1C[N@@H+](CCc2ccns2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170390 702413359 /nfs/dbraw/zinc/41/33/59/702413359.db2.gz SNDAACBGWIILEM-HOCLYGCPSA-N 2 1 348.516 1.608 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CCC2CCOCC2)C(C)(C)C1 ZINC000996044172 702437634 /nfs/dbraw/zinc/43/76/34/702437634.db2.gz SSRZZJAWDKHNBY-QGZVFWFLSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)sn1 ZINC000996045359 702439588 /nfs/dbraw/zinc/43/95/88/702439588.db2.gz VVHDJWSJIUZBEU-OAHLLOKOSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)C(C)(C)C1 ZINC000996043631 702461778 /nfs/dbraw/zinc/46/17/78/702461778.db2.gz OSQMZEITAPRUCD-OAHLLOKOSA-N 2 1 331.420 1.515 20 0 EDADMP C[C@@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000942054209 702500350 /nfs/dbraw/zinc/50/03/50/702500350.db2.gz WODKHJSVPVGAGY-CVEARBPZSA-N 2 1 325.497 1.460 20 0 EDADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942056484 702504096 /nfs/dbraw/zinc/50/40/96/702504096.db2.gz HWZNJIRTTCPDGZ-HZPDHXFCSA-N 2 1 335.496 1.685 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCOC)CC1 ZINC000948416920 702685006 /nfs/dbraw/zinc/68/50/06/702685006.db2.gz SOUIYEVPJCLFEZ-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000948416920 702685007 /nfs/dbraw/zinc/68/50/07/702685007.db2.gz SOUIYEVPJCLFEZ-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000948416920 702685009 /nfs/dbraw/zinc/68/50/09/702685009.db2.gz SOUIYEVPJCLFEZ-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996301461 702693362 /nfs/dbraw/zinc/69/33/62/702693362.db2.gz TWIDTFDLBQUVJN-ZBFHGGJFSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)no1 ZINC000996462716 702790140 /nfs/dbraw/zinc/79/01/40/702790140.db2.gz AAHXWVDCGMSMOK-CZUORRHYSA-N 2 1 349.479 1.892 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)no1 ZINC000996462716 702790141 /nfs/dbraw/zinc/79/01/41/702790141.db2.gz AAHXWVDCGMSMOK-CZUORRHYSA-N 2 1 349.479 1.892 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)o1 ZINC000996463372 702790868 /nfs/dbraw/zinc/79/08/68/702790868.db2.gz FOOGZJUMPCRVHR-INIZCTEOSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996478674 702810498 /nfs/dbraw/zinc/81/04/98/702810498.db2.gz SVYNHHBVLSKFRJ-GOEBONIOSA-N 2 1 347.463 1.333 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996519172 702854859 /nfs/dbraw/zinc/85/48/59/702854859.db2.gz NOZFZTJMAJZTHV-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948439526 702905841 /nfs/dbraw/zinc/90/58/41/702905841.db2.gz QYQNSDYFZRSMHH-WMZOPIPTSA-N 2 1 337.508 1.699 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[C@H]1CCC[NH+](CCO)CC1 ZINC000948439526 702905843 /nfs/dbraw/zinc/90/58/43/702905843.db2.gz QYQNSDYFZRSMHH-WMZOPIPTSA-N 2 1 337.508 1.699 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[C@H]1CCC[NH+](CCO)CC1 ZINC000948439526 702905845 /nfs/dbraw/zinc/90/58/45/702905845.db2.gz QYQNSDYFZRSMHH-WMZOPIPTSA-N 2 1 337.508 1.699 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996613509 702918544 /nfs/dbraw/zinc/91/85/44/702918544.db2.gz UZCGOVJCHXSONI-OAHLLOKOSA-N 2 1 348.495 1.281 20 0 EDADMP CCCn1ncnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996609544 702920777 /nfs/dbraw/zinc/92/07/77/702920777.db2.gz HKWALLMYSDWCAM-OAHLLOKOSA-N 2 1 348.495 1.111 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC000996653039 702942730 /nfs/dbraw/zinc/94/27/30/702942730.db2.gz XPWMLZHWEQTTRO-UHFFFAOYSA-N 2 1 345.447 1.982 20 0 EDADMP CC[C@H]([NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1)C(N)=O ZINC000996667384 702964406 /nfs/dbraw/zinc/96/44/06/702964406.db2.gz AXLTZJYYVKEQJF-CVEARBPZSA-N 2 1 338.496 1.094 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([NH2+]C[C@H]2C[C@]23CCOC3)CC1)C1CCC1 ZINC000996672901 702973697 /nfs/dbraw/zinc/97/36/97/702973697.db2.gz QGFAYUPNQHRVCQ-BEFAXECRSA-N 2 1 335.492 1.478 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996715241 703010301 /nfs/dbraw/zinc/01/03/01/703010301.db2.gz DZGZLQJVJUDZER-HOTGVXAUSA-N 2 1 333.436 1.167 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCOC2CCC2)C[C@H]1C ZINC000942518400 703015952 /nfs/dbraw/zinc/01/59/52/703015952.db2.gz RAAMXLKPOLCDND-PBHICJAKSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCOC2CCC2)C[C@H]1C ZINC000942518400 703015953 /nfs/dbraw/zinc/01/59/53/703015953.db2.gz RAAMXLKPOLCDND-PBHICJAKSA-N 2 1 334.464 1.587 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(F)(F)C1 ZINC001032684384 706716002 /nfs/dbraw/zinc/71/60/02/706716002.db2.gz OPTRVFGKNJVMEK-GJZGRUSLSA-N 2 1 343.418 1.039 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(F)(F)C1 ZINC001032684384 706716005 /nfs/dbraw/zinc/71/60/05/706716005.db2.gz OPTRVFGKNJVMEK-GJZGRUSLSA-N 2 1 343.418 1.039 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032026993 703046290 /nfs/dbraw/zinc/04/62/90/703046290.db2.gz LPKHSPLGVCOBFC-KRWDZBQOSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032026993 703046293 /nfs/dbraw/zinc/04/62/93/703046293.db2.gz LPKHSPLGVCOBFC-KRWDZBQOSA-N 2 1 334.464 1.794 20 0 EDADMP COc1ncccc1C[NH2+]C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000996797725 703089722 /nfs/dbraw/zinc/08/97/22/703089722.db2.gz JFWZSJQHECVCRK-UHFFFAOYSA-N 2 1 343.431 1.376 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597603 703112520 /nfs/dbraw/zinc/11/25/20/703112520.db2.gz MJJNAVXHQCOGIJ-DYVFJYSZSA-N 2 1 334.464 1.651 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000948474205 703153424 /nfs/dbraw/zinc/15/34/24/703153424.db2.gz QYPDPITZXHDJFC-QGZVFWFLSA-N 2 1 337.508 1.558 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]Cc3cncs3)CC2)CC[N@H+]1C ZINC000996920892 703191866 /nfs/dbraw/zinc/19/18/66/703191866.db2.gz GJCPUIAUBBSNIR-KBPBESRZSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000996951644 703222227 /nfs/dbraw/zinc/22/22/27/703222227.db2.gz HNHIMDDHWBOBRS-GFCCVEGCSA-N 2 1 335.452 1.361 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)o1 ZINC000996959350 703229821 /nfs/dbraw/zinc/22/98/21/703229821.db2.gz AEFMFZLMIOUYCM-MRXNPFEDSA-N 2 1 337.468 1.299 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC2CCOCC2)CC1 ZINC000996981520 703236656 /nfs/dbraw/zinc/23/66/56/703236656.db2.gz VZVSFWGYPDVSES-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1ncccc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000996995775 703252857 /nfs/dbraw/zinc/25/28/57/703252857.db2.gz QSRIOSSIPLTSHU-HNNXBMFYSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)cn1 ZINC000996997774 703254478 /nfs/dbraw/zinc/25/44/78/703254478.db2.gz GOTXSCZRNRTAJG-UHFFFAOYSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)s1 ZINC000997006170 703263563 /nfs/dbraw/zinc/26/35/63/703263563.db2.gz FFZCENCLJIVFJS-BXUZGUMPSA-N 2 1 337.493 1.125 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000997007702 703264891 /nfs/dbraw/zinc/26/48/91/703264891.db2.gz JJBGYONHFDIRKA-CRAIPNDOSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997011578 703271591 /nfs/dbraw/zinc/27/15/91/703271591.db2.gz XDQCOXCXEIHANJ-BBRMVZONSA-N 2 1 331.464 1.063 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC000997059393 703304794 /nfs/dbraw/zinc/30/47/94/703304794.db2.gz CQVVPZVPZKPLOO-INIZCTEOSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000997060763 703305777 /nfs/dbraw/zinc/30/57/77/703305777.db2.gz JMJXNOHJDNUKTA-KRWDZBQOSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)c1nccn1CC(=O)N1CCC(NCc2ncccn2)CC1 ZINC000997065625 703309886 /nfs/dbraw/zinc/30/98/86/703309886.db2.gz SUVXVQUMLZEPIQ-UHFFFAOYSA-N 2 1 342.447 1.577 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)CC[N@H+]1CCOC ZINC000925339155 703331121 /nfs/dbraw/zinc/33/11/21/703331121.db2.gz WWMXWDGCZOSADM-ARFHVFGLSA-N 2 1 326.485 1.221 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC[NH+]1CCOC ZINC000925339155 703331123 /nfs/dbraw/zinc/33/11/23/703331123.db2.gz WWMXWDGCZOSADM-ARFHVFGLSA-N 2 1 326.485 1.221 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)CC[NH+]1CCOC ZINC000925339155 703331124 /nfs/dbraw/zinc/33/11/24/703331124.db2.gz WWMXWDGCZOSADM-ARFHVFGLSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405722 703429859 /nfs/dbraw/zinc/42/98/59/703429859.db2.gz QFDVKUGJSZIVJG-SZMVWBNQSA-N 2 1 335.492 1.573 20 0 EDADMP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405722 703429860 /nfs/dbraw/zinc/42/98/60/703429860.db2.gz QFDVKUGJSZIVJG-SZMVWBNQSA-N 2 1 335.492 1.573 20 0 EDADMP COCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405722 703429861 /nfs/dbraw/zinc/42/98/61/703429861.db2.gz QFDVKUGJSZIVJG-SZMVWBNQSA-N 2 1 335.492 1.573 20 0 EDADMP COCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405722 703429862 /nfs/dbraw/zinc/42/98/62/703429862.db2.gz QFDVKUGJSZIVJG-SZMVWBNQSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000997181670 703466429 /nfs/dbraw/zinc/46/64/29/703466429.db2.gz RAOLMRJSTLZOFA-SJLPKXTDSA-N 2 1 347.507 1.584 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1csnn1 ZINC000997182006 703466918 /nfs/dbraw/zinc/46/69/18/703466918.db2.gz FQKNJDSGOOANKG-OLZOCXBDSA-N 2 1 337.493 1.522 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997180253 703470511 /nfs/dbraw/zinc/47/05/11/703470511.db2.gz OBJANGXANIRTKN-TZMCWYRMSA-N 2 1 335.452 1.361 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997180253 703470512 /nfs/dbraw/zinc/47/05/12/703470512.db2.gz OBJANGXANIRTKN-TZMCWYRMSA-N 2 1 335.452 1.361 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997301798 703544921 /nfs/dbraw/zinc/54/49/21/703544921.db2.gz GVJZPXGIEXKVTO-HUUCEWRRSA-N 2 1 331.464 1.378 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997299466 703556668 /nfs/dbraw/zinc/55/66/68/703556668.db2.gz NTTNTUQYYHEIEZ-AWEZNQCLSA-N 2 1 334.464 1.578 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCC3CCCC3)CC2)C1 ZINC000997341410 703574029 /nfs/dbraw/zinc/57/40/29/703574029.db2.gz GGOGKGYPXLDMFB-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCC3CCCC3)CC2)C1 ZINC000997341410 703574030 /nfs/dbraw/zinc/57/40/30/703574030.db2.gz GGOGKGYPXLDMFB-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCn1cccn1 ZINC001032445284 703623206 /nfs/dbraw/zinc/62/32/06/703623206.db2.gz CJKWRVYXWYQGIC-SQNIBIBYSA-N 2 1 345.491 1.431 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCn1cccn1 ZINC001032445284 703623207 /nfs/dbraw/zinc/62/32/07/703623207.db2.gz CJKWRVYXWYQGIC-SQNIBIBYSA-N 2 1 345.491 1.431 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1 ZINC001032445284 703623208 /nfs/dbraw/zinc/62/32/08/703623208.db2.gz CJKWRVYXWYQGIC-SQNIBIBYSA-N 2 1 345.491 1.431 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1 ZINC001032445284 703623209 /nfs/dbraw/zinc/62/32/09/703623209.db2.gz CJKWRVYXWYQGIC-SQNIBIBYSA-N 2 1 345.491 1.431 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997419640 703670054 /nfs/dbraw/zinc/67/00/54/703670054.db2.gz BJFXCFZWJCMBBG-ZBFHGGJFSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997419640 703670056 /nfs/dbraw/zinc/67/00/56/703670056.db2.gz BJFXCFZWJCMBBG-ZBFHGGJFSA-N 2 1 333.480 1.089 20 0 EDADMP CC(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032475953 703698826 /nfs/dbraw/zinc/69/88/26/703698826.db2.gz RSTPKQBANUMQTP-IRXDYDNUSA-N 2 1 337.508 1.676 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000997606499 703899898 /nfs/dbraw/zinc/89/98/98/703899898.db2.gz LQQDSEFSJBVFPN-QGZVFWFLSA-N 2 1 334.439 1.643 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)sn1 ZINC000997613808 703913262 /nfs/dbraw/zinc/91/32/62/703913262.db2.gz PYHSGYWKNMMXAS-MRXNPFEDSA-N 2 1 336.505 1.874 20 0 EDADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)s1 ZINC000922527816 703925253 /nfs/dbraw/zinc/92/52/53/703925253.db2.gz YIEREKKYLWOIEN-KGLIPLIRSA-N 2 1 326.535 1.874 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)cn1 ZINC000995549258 703932092 /nfs/dbraw/zinc/93/20/92/703932092.db2.gz BVERDNRSPOMPBP-HOTGVXAUSA-N 2 1 346.475 1.511 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)ncn1 ZINC000995550938 703954730 /nfs/dbraw/zinc/95/47/30/703954730.db2.gz KRMVTUUAZWKIPA-JKSUJKDBSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1nnsc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995553711 703965417 /nfs/dbraw/zinc/96/54/17/703965417.db2.gz SVEJZKWSUKXYQG-JSGCOSHPSA-N 2 1 337.493 1.267 20 0 EDADMP COc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)on1 ZINC000995555172 703974095 /nfs/dbraw/zinc/97/40/95/703974095.db2.gz YOOKPFRIRWYQQN-KBPBESRZSA-N 2 1 336.436 1.104 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033079935 704144004 /nfs/dbraw/zinc/14/40/04/704144004.db2.gz AJXJQJDVFYNHHT-WBVHZDCISA-N 2 1 332.448 1.358 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033079935 704144006 /nfs/dbraw/zinc/14/40/06/704144006.db2.gz AJXJQJDVFYNHHT-WBVHZDCISA-N 2 1 332.448 1.358 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001033080123 704145162 /nfs/dbraw/zinc/14/51/62/704145162.db2.gz CSMBZJAWSXZMDF-UONOGXRCSA-N 2 1 333.398 1.813 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033080375 704146388 /nfs/dbraw/zinc/14/63/88/704146388.db2.gz HBOFKIQRBLSHBM-QZTJIDSGSA-N 2 1 335.492 1.288 20 0 EDADMP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033084988 704156058 /nfs/dbraw/zinc/15/60/58/704156058.db2.gz MRWOWGSAYOPAPI-MRXNPFEDSA-N 2 1 333.480 1.391 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033096148 704183690 /nfs/dbraw/zinc/18/36/90/704183690.db2.gz JQSRYRCWMYJOOV-SOLBZPMBSA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033096148 704183691 /nfs/dbraw/zinc/18/36/91/704183691.db2.gz JQSRYRCWMYJOOV-SOLBZPMBSA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033096148 704183692 /nfs/dbraw/zinc/18/36/92/704183692.db2.gz JQSRYRCWMYJOOV-SOLBZPMBSA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033096148 704183693 /nfs/dbraw/zinc/18/36/93/704183693.db2.gz JQSRYRCWMYJOOV-SOLBZPMBSA-N 2 1 348.491 2.000 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3cnc(C)o3)C2)CC[N@H+]1C ZINC001033100024 704224992 /nfs/dbraw/zinc/22/49/92/704224992.db2.gz VLJZXGZMRNDSNQ-HYVNUMGLSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cnc(C)o3)C2)CC[N@@H+]1C ZINC001033100024 704224995 /nfs/dbraw/zinc/22/49/95/704224995.db2.gz VLJZXGZMRNDSNQ-HYVNUMGLSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cnc(C)o3)C2)CC[N@H+]1C ZINC001033100024 704224999 /nfs/dbraw/zinc/22/49/99/704224999.db2.gz VLJZXGZMRNDSNQ-HYVNUMGLSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnc(C)o3)C2)CC[NH+]1C ZINC001033100024 704225002 /nfs/dbraw/zinc/22/50/02/704225002.db2.gz VLJZXGZMRNDSNQ-HYVNUMGLSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnc(C)o3)C2)CC[NH+]1C ZINC001033100024 704225004 /nfs/dbraw/zinc/22/50/04/704225004.db2.gz VLJZXGZMRNDSNQ-HYVNUMGLSA-N 2 1 334.464 1.746 20 0 EDADMP COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595301 704259914 /nfs/dbraw/zinc/25/99/14/704259914.db2.gz RTAPCACBPQKQSU-HSFUPAIVSA-N 2 1 337.508 1.532 20 0 EDADMP COC[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595301 704259916 /nfs/dbraw/zinc/25/99/16/704259916.db2.gz RTAPCACBPQKQSU-HSFUPAIVSA-N 2 1 337.508 1.532 20 0 EDADMP COC[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595301 704259917 /nfs/dbraw/zinc/25/99/17/704259917.db2.gz RTAPCACBPQKQSU-HSFUPAIVSA-N 2 1 337.508 1.532 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999306678 706811647 /nfs/dbraw/zinc/81/16/47/706811647.db2.gz LDHNNVIZAKCBFY-IRXDYDNUSA-N 2 1 333.480 1.375 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CCC3CCCC3)C(C)(C)C2)C1 ZINC000995593876 704560433 /nfs/dbraw/zinc/56/04/33/704560433.db2.gz BLJKPHZLDRIWSB-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CCC3CCCC3)C(C)(C)C2)C1 ZINC000995593876 704560434 /nfs/dbraw/zinc/56/04/34/704560434.db2.gz BLJKPHZLDRIWSB-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1)CC2 ZINC000997733658 704632481 /nfs/dbraw/zinc/63/24/81/704632481.db2.gz BKUUFAVSVJRPHX-WMLDXEAASA-N 2 1 348.491 1.353 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCCOC1)[NH+]1CCCC1 ZINC001032557682 704739165 /nfs/dbraw/zinc/73/91/65/704739165.db2.gz PCXJNQRDTZYFON-ULQDDVLXSA-N 2 1 335.492 1.573 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997831515 704749703 /nfs/dbraw/zinc/74/97/03/704749703.db2.gz UQXXRHFBUZFUQE-DLBZAZTESA-N 2 1 346.475 1.625 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000997864548 704771514 /nfs/dbraw/zinc/77/15/14/704771514.db2.gz KNCMLRXFIALQJW-QZTJIDSGSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997868359 704773581 /nfs/dbraw/zinc/77/35/81/704773581.db2.gz TYQVVZQDSPJCIN-KSSFIOAISA-N 2 1 345.491 1.453 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CC=C(C)C)CC2)C1 ZINC000997871745 704777572 /nfs/dbraw/zinc/77/75/72/704777572.db2.gz SDWGDFOBFAZOGJ-FUHWJXTLSA-N 2 1 337.508 1.890 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CC=C(C)C)CC2)C1 ZINC000997871745 704777574 /nfs/dbraw/zinc/77/75/74/704777574.db2.gz SDWGDFOBFAZOGJ-FUHWJXTLSA-N 2 1 337.508 1.890 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)sn1 ZINC000944943707 704796124 /nfs/dbraw/zinc/79/61/24/704796124.db2.gz JTXXNSOBNVIBAN-BBRMVZONSA-N 2 1 336.505 1.874 20 0 EDADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997930673 705036521 /nfs/dbraw/zinc/03/65/21/705036521.db2.gz OJAFGUPUPCDXTK-FDYSRKEFSA-N 2 1 347.503 1.478 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2ccon2)CC1 ZINC000997949071 705073979 /nfs/dbraw/zinc/07/39/79/705073979.db2.gz KMCSGIXDKACVDO-SJORKVTESA-N 2 1 334.464 1.972 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2ccon2)CC1 ZINC000997949071 705073985 /nfs/dbraw/zinc/07/39/85/705073985.db2.gz KMCSGIXDKACVDO-SJORKVTESA-N 2 1 334.464 1.972 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2ccon2)CC1 ZINC000997949071 705073991 /nfs/dbraw/zinc/07/39/91/705073991.db2.gz KMCSGIXDKACVDO-SJORKVTESA-N 2 1 334.464 1.972 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2ccon2)CC1 ZINC000997949071 705073997 /nfs/dbraw/zinc/07/39/97/705073997.db2.gz KMCSGIXDKACVDO-SJORKVTESA-N 2 1 334.464 1.972 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCC2)C1 ZINC001032587008 705106533 /nfs/dbraw/zinc/10/65/33/705106533.db2.gz GMVMZBZFVCEJQX-GBESFXJTSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCC2)C1 ZINC001032587008 705106534 /nfs/dbraw/zinc/10/65/34/705106534.db2.gz GMVMZBZFVCEJQX-GBESFXJTSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC2CCC2)C1 ZINC001032587008 705106536 /nfs/dbraw/zinc/10/65/36/705106536.db2.gz GMVMZBZFVCEJQX-GBESFXJTSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCC2)C1 ZINC001032587008 705106538 /nfs/dbraw/zinc/10/65/38/705106538.db2.gz GMVMZBZFVCEJQX-GBESFXJTSA-N 2 1 349.519 1.961 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000998003742 705164762 /nfs/dbraw/zinc/16/47/62/705164762.db2.gz IJFGCZKIANWIRK-ZWKOTPCHSA-N 2 1 339.524 1.945 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CCC[NH+](CCCO)CC1 ZINC000998003742 705164765 /nfs/dbraw/zinc/16/47/65/705164765.db2.gz IJFGCZKIANWIRK-ZWKOTPCHSA-N 2 1 339.524 1.945 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CCC[NH+](CCCO)CC1 ZINC000998003742 705164769 /nfs/dbraw/zinc/16/47/69/705164769.db2.gz IJFGCZKIANWIRK-ZWKOTPCHSA-N 2 1 339.524 1.945 20 0 EDADMP CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000998043324 705238587 /nfs/dbraw/zinc/23/85/87/705238587.db2.gz XXKDWOSZBABRFJ-ARFHVFGLSA-N 2 1 334.464 1.863 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CCC[N@H+](CCCF)CC1 ZINC000998047771 705244005 /nfs/dbraw/zinc/24/40/05/705244005.db2.gz SUZKJPIMPWVRRS-IXDOHACOSA-N 2 1 343.487 1.768 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CCC[N@@H+](CCCF)CC1 ZINC000998047771 705244009 /nfs/dbraw/zinc/24/40/09/705244009.db2.gz SUZKJPIMPWVRRS-IXDOHACOSA-N 2 1 343.487 1.768 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CCC[NH+](CCCF)CC1 ZINC000998047771 705244011 /nfs/dbraw/zinc/24/40/11/705244011.db2.gz SUZKJPIMPWVRRS-IXDOHACOSA-N 2 1 343.487 1.768 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CCC[NH+](CCCF)CC1 ZINC000998047771 705244013 /nfs/dbraw/zinc/24/40/13/705244013.db2.gz SUZKJPIMPWVRRS-IXDOHACOSA-N 2 1 343.487 1.768 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000998076621 705296049 /nfs/dbraw/zinc/29/60/49/705296049.db2.gz BDTAQEDNULZBET-CJNGLKHVSA-N 2 1 336.505 1.669 20 0 EDADMP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998076709 705297160 /nfs/dbraw/zinc/29/71/60/705297160.db2.gz CPNPJEILVNLDHS-SCLBCKFNSA-N 2 1 348.491 1.817 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2ccon2)CC1 ZINC000998186985 705490391 /nfs/dbraw/zinc/49/03/91/705490391.db2.gz BZNKUOQSFBARPO-NVXWUHKLSA-N 2 1 334.464 1.829 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](Cc2ccon2)CC1 ZINC000998186985 705490393 /nfs/dbraw/zinc/49/03/93/705490393.db2.gz BZNKUOQSFBARPO-NVXWUHKLSA-N 2 1 334.464 1.829 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](Cc2ccon2)CC1 ZINC000998186985 705490396 /nfs/dbraw/zinc/49/03/96/705490396.db2.gz BZNKUOQSFBARPO-NVXWUHKLSA-N 2 1 334.464 1.829 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](Cc2ccon2)CC1 ZINC000998186985 705490401 /nfs/dbraw/zinc/49/04/01/705490401.db2.gz BZNKUOQSFBARPO-NVXWUHKLSA-N 2 1 334.464 1.829 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000998266222 705637872 /nfs/dbraw/zinc/63/78/72/705637872.db2.gz PGZPQCSUORYMTR-DZGCQCFKSA-N 2 1 349.479 1.473 20 0 EDADMP C[N@@H+](CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1)C1CCC1 ZINC000998270840 705649591 /nfs/dbraw/zinc/64/95/91/705649591.db2.gz VMDZJTWYIDJCOZ-STQMWFEESA-N 2 1 339.377 1.809 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCOCC2)C1 ZINC001032627672 705737331 /nfs/dbraw/zinc/73/73/31/705737331.db2.gz DWKYGZPVZVZILS-NEWSRXKRSA-N 2 1 349.519 1.820 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC2CCOCC2)C1 ZINC001032627672 705737334 /nfs/dbraw/zinc/73/73/34/705737334.db2.gz DWKYGZPVZVZILS-NEWSRXKRSA-N 2 1 349.519 1.820 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCOCC2)C1 ZINC001032627672 705737337 /nfs/dbraw/zinc/73/73/37/705737337.db2.gz DWKYGZPVZVZILS-NEWSRXKRSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)n1 ZINC000998547863 705982707 /nfs/dbraw/zinc/98/27/07/705982707.db2.gz BICDZNUIKKAPGD-ABHNRTSZSA-N 2 1 330.476 1.872 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000998548387 705983798 /nfs/dbraw/zinc/98/37/98/705983798.db2.gz HGKCPBJJIXXKOF-UYJHFMRCSA-N 2 1 345.491 1.393 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)[nH]1 ZINC000998554545 705989414 /nfs/dbraw/zinc/98/94/14/705989414.db2.gz YPEGNFGAXMNJFX-RUXDESIVSA-N 2 1 334.468 1.101 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000998582020 706015494 /nfs/dbraw/zinc/01/54/94/706015494.db2.gz AFBAVDYILIKCIL-DAWZGUTISA-N 2 1 349.519 1.866 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000998582020 706015498 /nfs/dbraw/zinc/01/54/98/706015498.db2.gz AFBAVDYILIKCIL-DAWZGUTISA-N 2 1 349.519 1.866 20 0 EDADMP Cc1cccc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998586961 706025771 /nfs/dbraw/zinc/02/57/71/706025771.db2.gz SEVHRRRONMOPEK-TVPLGVNVSA-N 2 1 345.487 1.713 20 0 EDADMP Cc1cccc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998586961 706025776 /nfs/dbraw/zinc/02/57/76/706025776.db2.gz SEVHRRRONMOPEK-TVPLGVNVSA-N 2 1 345.487 1.713 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000998588214 706027476 /nfs/dbraw/zinc/02/74/76/706027476.db2.gz YJESNBVQPRMLIZ-OFLPRAFFSA-N 2 1 335.423 1.235 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000998588214 706027479 /nfs/dbraw/zinc/02/74/79/706027479.db2.gz YJESNBVQPRMLIZ-OFLPRAFFSA-N 2 1 335.423 1.235 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccn2C(F)F)C1 ZINC000998725044 706156821 /nfs/dbraw/zinc/15/68/21/706156821.db2.gz VKLNKDBSLHQUEN-STQMWFEESA-N 2 1 341.406 1.453 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2csnn2)C1 ZINC000998762875 706201696 /nfs/dbraw/zinc/20/16/96/706201696.db2.gz IWWFZSYNRNBYPG-ZALBZXLWSA-N 2 1 337.493 1.490 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2csnn2)C1 ZINC000998762875 706201697 /nfs/dbraw/zinc/20/16/97/706201697.db2.gz IWWFZSYNRNBYPG-ZALBZXLWSA-N 2 1 337.493 1.490 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CC([NH2+]Cc2cnon2)C1 ZINC000998771452 706213246 /nfs/dbraw/zinc/21/32/46/706213246.db2.gz VYRNANJIIVJTOL-UHFFFAOYSA-N 2 1 335.452 1.413 20 0 EDADMP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)C1CC([NH2+]Cc2cncs2)C1 ZINC000998902674 706339790 /nfs/dbraw/zinc/33/97/90/706339790.db2.gz WYICUCPXFMFNIE-SSDMNJCBSA-N 2 1 345.472 1.996 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000998993961 706411368 /nfs/dbraw/zinc/41/13/68/706411368.db2.gz HTKDOJCFXSJRPT-GPANFISMSA-N 2 1 348.495 1.170 20 0 EDADMP CN(C(=O)c1ccc2c[nH+]cn2c1)C1CC([NH2+]Cc2nncs2)C1 ZINC000999123356 706548244 /nfs/dbraw/zinc/54/82/44/706548244.db2.gz JNDZEICVVTZPBA-UHFFFAOYSA-N 2 1 342.428 1.579 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999146080 706560154 /nfs/dbraw/zinc/56/01/54/706560154.db2.gz UWKWGBGMXMIHDU-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCn3cccn3)C[C@H]2CC1 ZINC000946518061 706568763 /nfs/dbraw/zinc/56/87/63/706568763.db2.gz NHPHHTOCMXCQBE-KSZLIROESA-N 2 1 345.491 1.148 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]2CC1 ZINC000946518061 706568768 /nfs/dbraw/zinc/56/87/68/706568768.db2.gz NHPHHTOCMXCQBE-KSZLIROESA-N 2 1 345.491 1.148 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]2CC1 ZINC000946518061 706568772 /nfs/dbraw/zinc/56/87/72/706568772.db2.gz NHPHHTOCMXCQBE-KSZLIROESA-N 2 1 345.491 1.148 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999362460 706875981 /nfs/dbraw/zinc/87/59/81/706875981.db2.gz BAURZIOFWQEOOL-DOTOQJQBSA-N 2 1 348.495 1.027 20 0 EDADMP CCn1nnc(C)c1C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999365650 706879503 /nfs/dbraw/zinc/87/95/03/706879503.db2.gz QOLKXRRXVSCDQB-OAHLLOKOSA-N 2 1 348.495 1.171 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)[nH]1 ZINC000999399575 706894373 /nfs/dbraw/zinc/89/43/73/706894373.db2.gz ILYZLTPXHNYWRJ-HUUCEWRRSA-N 2 1 334.468 1.068 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC000999399575 706894374 /nfs/dbraw/zinc/89/43/74/706894374.db2.gz ILYZLTPXHNYWRJ-HUUCEWRRSA-N 2 1 334.468 1.068 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)no1 ZINC000999406996 706916506 /nfs/dbraw/zinc/91/65/06/706916506.db2.gz MMUJSHCEIKGNTQ-WBVHZDCISA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)no1 ZINC000999406996 706916507 /nfs/dbraw/zinc/91/65/07/706916507.db2.gz MMUJSHCEIKGNTQ-WBVHZDCISA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999407909 706917458 /nfs/dbraw/zinc/91/74/58/706917458.db2.gz XUKLFBULIAIPSE-NVPAJSRCSA-N 2 1 333.480 1.292 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC000999508157 707005186 /nfs/dbraw/zinc/00/51/86/707005186.db2.gz GXHBYOVGIPIZGS-UHFFFAOYSA-N 2 1 349.479 1.443 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999510996 707009517 /nfs/dbraw/zinc/00/95/17/707009517.db2.gz MJWUQTNXDSLCRN-SJORKVTESA-N 2 1 334.439 1.786 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nc(C)[nH+]1 ZINC001060880528 707019053 /nfs/dbraw/zinc/01/90/53/707019053.db2.gz GKIVEYBWZJXAFY-OAHLLOKOSA-N 2 1 331.464 1.704 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC3CCCCC3)C2)O1 ZINC000999495711 707032551 /nfs/dbraw/zinc/03/25/51/707032551.db2.gz LANRKQQBRPLOQM-KBAYOESNSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC3CCCCC3)C2)O1 ZINC000999495711 707032552 /nfs/dbraw/zinc/03/25/52/707032552.db2.gz LANRKQQBRPLOQM-KBAYOESNSA-N 2 1 337.508 1.866 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]Cc3ncccn3)C2)CC1 ZINC000999597711 707100520 /nfs/dbraw/zinc/10/05/20/707100520.db2.gz HBEVSFOLBKPSQE-UHFFFAOYSA-N 2 1 331.464 1.288 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999682509 707167756 /nfs/dbraw/zinc/16/77/56/707167756.db2.gz PDZBWGSSMZKXNZ-QQFBHYJXSA-N 2 1 348.495 1.280 20 0 EDADMP CN(C(=O)C1CC[NH+](CC2CC2)CC1)C1CC([NH2+]Cc2cnon2)C1 ZINC000999671375 707202165 /nfs/dbraw/zinc/20/21/65/707202165.db2.gz IGTOEHFMKJIECZ-UHFFFAOYSA-N 2 1 347.463 1.271 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CCF)C[C@H]3CC2)C1 ZINC000946776272 707206453 /nfs/dbraw/zinc/20/64/53/707206453.db2.gz JOXOWCNXJSSDLU-IYBDPMFKSA-N 2 1 325.472 1.858 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCF)C[C@H]3CC2)C1 ZINC000946776272 707206457 /nfs/dbraw/zinc/20/64/57/707206457.db2.gz JOXOWCNXJSSDLU-IYBDPMFKSA-N 2 1 325.472 1.858 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCF)C[C@H]3CC2)C1 ZINC000946776272 707206463 /nfs/dbraw/zinc/20/64/63/707206463.db2.gz JOXOWCNXJSSDLU-IYBDPMFKSA-N 2 1 325.472 1.858 20 0 EDADMP CCOC1CC(C[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000999723481 707263953 /nfs/dbraw/zinc/26/39/53/707263953.db2.gz GKWBQRVWBRVSNQ-AQFXKWCLSA-N 2 1 334.464 1.587 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000999711133 707306082 /nfs/dbraw/zinc/30/60/82/707306082.db2.gz VKCQAVUVUCITDT-UHFFFAOYSA-N 2 1 345.447 1.122 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@H](N(C)C(=O)Cn3cncc3C)C2)cn1 ZINC001033268260 707307830 /nfs/dbraw/zinc/30/78/30/707307830.db2.gz XDXLGYSWMYSXJN-KRWDZBQOSA-N 2 1 344.463 1.183 20 0 EDADMP CCn1cc(CC[N@@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC001033268260 707307834 /nfs/dbraw/zinc/30/78/34/707307834.db2.gz XDXLGYSWMYSXJN-KRWDZBQOSA-N 2 1 344.463 1.183 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033268312 707309454 /nfs/dbraw/zinc/30/94/54/707309454.db2.gz YPMKRHSSJOMJBR-GOSISDBHSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033268312 707309461 /nfs/dbraw/zinc/30/94/61/707309461.db2.gz YPMKRHSSJOMJBR-GOSISDBHSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC001033181668 707343604 /nfs/dbraw/zinc/34/36/04/707343604.db2.gz IZPJVNNSHXZQAM-INIZCTEOSA-N 2 1 346.475 1.892 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC001033181668 707343610 /nfs/dbraw/zinc/34/36/10/707343610.db2.gz IZPJVNNSHXZQAM-INIZCTEOSA-N 2 1 346.475 1.892 20 0 EDADMP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)c1 ZINC000999838762 707410417 /nfs/dbraw/zinc/41/04/17/707410417.db2.gz WVHJUNDNMBYOEV-UHFFFAOYSA-N 2 1 343.431 1.374 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(C)c3)C2)C1 ZINC000999860464 707445593 /nfs/dbraw/zinc/44/55/93/707445593.db2.gz ASEPFXPARVAMDU-CTWPCTMYSA-N 2 1 345.487 1.795 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(C)c3)C2)C1 ZINC000999860464 707445594 /nfs/dbraw/zinc/44/55/94/707445594.db2.gz ASEPFXPARVAMDU-CTWPCTMYSA-N 2 1 345.487 1.795 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000999834118 707466643 /nfs/dbraw/zinc/46/66/43/707466643.db2.gz RRWLWPYOFAAQIT-UHFFFAOYSA-N 2 1 349.504 1.590 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CCC)C2)nn1 ZINC000999985811 707656648 /nfs/dbraw/zinc/65/66/48/707656648.db2.gz FMPXSMPBQDOOEP-IRXDYDNUSA-N 2 1 348.495 1.426 20 0 EDADMP CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)nn2)C1 ZINC000999985811 707656654 /nfs/dbraw/zinc/65/66/54/707656654.db2.gz FMPXSMPBQDOOEP-IRXDYDNUSA-N 2 1 348.495 1.426 20 0 EDADMP CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3CCC)nn2)C1 ZINC000999985811 707656657 /nfs/dbraw/zinc/65/66/57/707656657.db2.gz FMPXSMPBQDOOEP-IRXDYDNUSA-N 2 1 348.495 1.426 20 0 EDADMP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001033396112 707734459 /nfs/dbraw/zinc/73/44/59/707734459.db2.gz LTJMDDXLWPTDDV-NVXWUHKLSA-N 2 1 345.491 1.721 20 0 EDADMP Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001033396112 707734460 /nfs/dbraw/zinc/73/44/60/707734460.db2.gz LTJMDDXLWPTDDV-NVXWUHKLSA-N 2 1 345.491 1.721 20 0 EDADMP C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033390969 707766769 /nfs/dbraw/zinc/76/67/69/707766769.db2.gz NZWQLPKHEQKHSG-HOCLYGCPSA-N 2 1 331.464 1.412 20 0 EDADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033390969 707766772 /nfs/dbraw/zinc/76/67/72/707766772.db2.gz NZWQLPKHEQKHSG-HOCLYGCPSA-N 2 1 331.464 1.412 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)o1 ZINC001033419701 707828550 /nfs/dbraw/zinc/82/85/50/707828550.db2.gz KUAFVOGMZLJIDF-GOEBONIOSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)o1 ZINC001033419701 707828552 /nfs/dbraw/zinc/82/85/52/707828552.db2.gz KUAFVOGMZLJIDF-GOEBONIOSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)o1 ZINC001033419701 707828556 /nfs/dbraw/zinc/82/85/56/707828556.db2.gz KUAFVOGMZLJIDF-GOEBONIOSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)o1 ZINC001033419701 707828558 /nfs/dbraw/zinc/82/85/58/707828558.db2.gz KUAFVOGMZLJIDF-GOEBONIOSA-N 2 1 348.491 1.920 20 0 EDADMP Cc1csc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001000193798 707830390 /nfs/dbraw/zinc/83/03/90/707830390.db2.gz SEEQRBGTPYXZTJ-DZGCQCFKSA-N 2 1 336.505 1.874 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423997 707840651 /nfs/dbraw/zinc/84/06/51/707840651.db2.gz WHAIMIJWQXRALX-MAUKXSAKSA-N 2 1 333.476 1.318 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001033225738 707862519 /nfs/dbraw/zinc/86/25/19/707862519.db2.gz KBVIDXUHRXGRQO-QGZVFWFLSA-N 2 1 345.491 1.124 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001033467511 707926316 /nfs/dbraw/zinc/92/63/16/707926316.db2.gz QHXSNQNBSRFKDM-SJORKVTESA-N 2 1 348.491 1.966 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001033467511 707926320 /nfs/dbraw/zinc/92/63/20/707926320.db2.gz QHXSNQNBSRFKDM-SJORKVTESA-N 2 1 348.491 1.966 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nc(C)[nH+]1 ZINC001060933736 707952474 /nfs/dbraw/zinc/95/24/74/707952474.db2.gz SIBAEUVCJUWHNK-KDOFPFPSSA-N 2 1 345.491 1.948 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033474024 707963097 /nfs/dbraw/zinc/96/30/97/707963097.db2.gz DUQAXUAUUXBSJI-QGZVFWFLSA-N 2 1 333.480 1.185 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033474024 707963099 /nfs/dbraw/zinc/96/30/99/707963099.db2.gz DUQAXUAUUXBSJI-QGZVFWFLSA-N 2 1 333.480 1.185 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001000376463 708003245 /nfs/dbraw/zinc/00/32/45/708003245.db2.gz HLZJINNRVGGKTG-JKSUJKDBSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001000376463 708003249 /nfs/dbraw/zinc/00/32/49/708003249.db2.gz HLZJINNRVGGKTG-JKSUJKDBSA-N 2 1 348.495 1.159 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](NCc2ncc(C)cn2)C1 ZINC001001007325 708081955 /nfs/dbraw/zinc/08/19/55/708081955.db2.gz ILFHVVKPBVONCB-IRXDYDNUSA-N 2 1 345.491 1.740 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC001001007325 708081958 /nfs/dbraw/zinc/08/19/58/708081958.db2.gz ILFHVVKPBVONCB-IRXDYDNUSA-N 2 1 345.491 1.740 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001001765903 708289443 /nfs/dbraw/zinc/28/94/43/708289443.db2.gz QOELTIALKWDRRE-JQHSSLGASA-N 2 1 337.508 1.581 20 0 EDADMP Cc1nsc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593323 708292996 /nfs/dbraw/zinc/29/29/96/708292996.db2.gz KQHIITYTPUFFEY-HNNXBMFYSA-N 2 1 348.516 1.888 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033594861 708297456 /nfs/dbraw/zinc/29/74/56/708297456.db2.gz RRGQANNYDWXXPK-AWEZNQCLSA-N 2 1 334.489 1.314 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001033585373 708312615 /nfs/dbraw/zinc/31/26/15/708312615.db2.gz HQKRCUSIQUJRPO-CVEARBPZSA-N 2 1 346.475 1.863 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001033585373 708312618 /nfs/dbraw/zinc/31/26/18/708312618.db2.gz HQKRCUSIQUJRPO-CVEARBPZSA-N 2 1 346.475 1.863 20 0 EDADMP CCn1ccnc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001835010 708361658 /nfs/dbraw/zinc/36/16/58/708361658.db2.gz ULKSOVAPRVHXFL-NVXWUHKLSA-N 2 1 347.507 1.429 20 0 EDADMP CCn1ccnc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001835010 708361662 /nfs/dbraw/zinc/36/16/62/708361662.db2.gz ULKSOVAPRVHXFL-NVXWUHKLSA-N 2 1 347.507 1.429 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000921849672 708405225 /nfs/dbraw/zinc/40/52/25/708405225.db2.gz PSZBZHGJJOZKKY-SZMVWBNQSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000921849672 708405226 /nfs/dbraw/zinc/40/52/26/708405226.db2.gz PSZBZHGJJOZKKY-SZMVWBNQSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921849672 708405227 /nfs/dbraw/zinc/40/52/27/708405227.db2.gz PSZBZHGJJOZKKY-SZMVWBNQSA-N 2 1 330.476 1.900 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001033668732 708457403 /nfs/dbraw/zinc/45/74/03/708457403.db2.gz OBEFUWQEFDNCME-KRWDZBQOSA-N 2 1 344.463 1.238 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001033668732 708457404 /nfs/dbraw/zinc/45/74/04/708457404.db2.gz OBEFUWQEFDNCME-KRWDZBQOSA-N 2 1 344.463 1.238 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)C1 ZINC001002128139 708644715 /nfs/dbraw/zinc/64/47/15/708644715.db2.gz VXOAUZSWYRSPGL-LSDHHAIUSA-N 2 1 345.434 1.191 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001033777817 708705998 /nfs/dbraw/zinc/70/59/98/708705998.db2.gz XQAPASGMVNZDPO-RDJZCZTQSA-N 2 1 334.464 1.754 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001033777817 708706000 /nfs/dbraw/zinc/70/60/00/708706000.db2.gz XQAPASGMVNZDPO-RDJZCZTQSA-N 2 1 334.464 1.754 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001033777817 708706003 /nfs/dbraw/zinc/70/60/03/708706003.db2.gz XQAPASGMVNZDPO-RDJZCZTQSA-N 2 1 334.464 1.754 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001033777817 708706005 /nfs/dbraw/zinc/70/60/05/708706005.db2.gz XQAPASGMVNZDPO-RDJZCZTQSA-N 2 1 334.464 1.754 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033833775 708860168 /nfs/dbraw/zinc/86/01/68/708860168.db2.gz LLWFJOFIRYEOCP-JFIYKMOQSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033833775 708860171 /nfs/dbraw/zinc/86/01/71/708860171.db2.gz LLWFJOFIRYEOCP-JFIYKMOQSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033833775 708860174 /nfs/dbraw/zinc/86/01/74/708860174.db2.gz LLWFJOFIRYEOCP-JFIYKMOQSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033837031 708864625 /nfs/dbraw/zinc/86/46/25/708864625.db2.gz FIQNPNCHVQCOAL-YOEHRIQHSA-N 2 1 349.479 1.095 20 0 EDADMP CCN(C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033837031 708864629 /nfs/dbraw/zinc/86/46/29/708864629.db2.gz FIQNPNCHVQCOAL-YOEHRIQHSA-N 2 1 349.479 1.095 20 0 EDADMP CCN(C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)[C@H]1CC[NH+](CCCO)C1 ZINC001033837031 708864633 /nfs/dbraw/zinc/86/46/33/708864633.db2.gz FIQNPNCHVQCOAL-YOEHRIQHSA-N 2 1 349.479 1.095 20 0 EDADMP CCN(C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)[C@H]1CC[NH+](CCCO)C1 ZINC001033837031 708864637 /nfs/dbraw/zinc/86/46/37/708864637.db2.gz FIQNPNCHVQCOAL-YOEHRIQHSA-N 2 1 349.479 1.095 20 0 EDADMP CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033839436 708869391 /nfs/dbraw/zinc/86/93/91/708869391.db2.gz WOVJBWCNMNRNCE-KRWDZBQOSA-N 2 1 347.507 1.781 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCCC2CCOCC2)CC1 ZINC001002472489 709005254 /nfs/dbraw/zinc/00/52/54/709005254.db2.gz AQVOREWGSPRQSH-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC001033897562 709017066 /nfs/dbraw/zinc/01/70/66/709017066.db2.gz LLACGXVDVAHZPU-WMLDXEAASA-N 2 1 330.432 1.906 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000921935006 709054440 /nfs/dbraw/zinc/05/44/40/709054440.db2.gz IGEDLFXOMIWKNB-AKHDSKFASA-N 2 1 342.487 1.900 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000921935006 709054441 /nfs/dbraw/zinc/05/44/41/709054441.db2.gz IGEDLFXOMIWKNB-AKHDSKFASA-N 2 1 342.487 1.900 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000921935006 709054443 /nfs/dbraw/zinc/05/44/43/709054443.db2.gz IGEDLFXOMIWKNB-AKHDSKFASA-N 2 1 342.487 1.900 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCOC)C2 ZINC001040544827 709085523 /nfs/dbraw/zinc/08/55/23/709085523.db2.gz KMZZPCHHYLSJBL-PKOBYXMFSA-N 2 1 337.508 1.822 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCOC)C2 ZINC001040544827 709085525 /nfs/dbraw/zinc/08/55/25/709085525.db2.gz KMZZPCHHYLSJBL-PKOBYXMFSA-N 2 1 337.508 1.822 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033938534 709143110 /nfs/dbraw/zinc/14/31/10/709143110.db2.gz YBEKJJLHQYVAKX-RYQLBKOJSA-N 2 1 347.507 1.573 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033938534 709143111 /nfs/dbraw/zinc/14/31/11/709143111.db2.gz YBEKJJLHQYVAKX-RYQLBKOJSA-N 2 1 347.507 1.573 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033938534 709143112 /nfs/dbraw/zinc/14/31/12/709143112.db2.gz YBEKJJLHQYVAKX-RYQLBKOJSA-N 2 1 347.507 1.573 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033938534 709143113 /nfs/dbraw/zinc/14/31/13/709143113.db2.gz YBEKJJLHQYVAKX-RYQLBKOJSA-N 2 1 347.507 1.573 20 0 EDADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001005498230 709255546 /nfs/dbraw/zinc/25/55/46/709255546.db2.gz PSSWVPIDGZQXEL-SFHVURJKSA-N 2 1 337.508 1.961 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccc(OC)n2)C1 ZINC001034041623 709290513 /nfs/dbraw/zinc/29/05/13/709290513.db2.gz GNPUDUJEDVENOS-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cccc(OC)n2)C1 ZINC001034041623 709290514 /nfs/dbraw/zinc/29/05/14/709290514.db2.gz GNPUDUJEDVENOS-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(OC)n2)C1 ZINC001034041623 709290517 /nfs/dbraw/zinc/29/05/17/709290517.db2.gz GNPUDUJEDVENOS-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(OC)n2)C1 ZINC001034041623 709290520 /nfs/dbraw/zinc/29/05/20/709290520.db2.gz GNPUDUJEDVENOS-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP C[C@@]12CN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702126426 709337142 /nfs/dbraw/zinc/33/71/42/709337142.db2.gz OXSQURKSNAXKAO-RLFYNMQTSA-N 2 1 337.414 1.949 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)cn1 ZINC001002793158 709401201 /nfs/dbraw/zinc/40/12/01/709401201.db2.gz VSPPMMQPGQGPEH-SFHVURJKSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)cn1 ZINC001002793158 709401202 /nfs/dbraw/zinc/40/12/02/709401202.db2.gz VSPPMMQPGQGPEH-SFHVURJKSA-N 2 1 345.491 1.738 20 0 EDADMP CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946824526 709423565 /nfs/dbraw/zinc/42/35/65/709423565.db2.gz RROVHUFHAXDDFA-HDICACEKSA-N 2 1 337.508 1.535 20 0 EDADMP CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946824526 709423567 /nfs/dbraw/zinc/42/35/67/709423567.db2.gz RROVHUFHAXDDFA-HDICACEKSA-N 2 1 337.508 1.535 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002850861 709458986 /nfs/dbraw/zinc/45/89/86/709458986.db2.gz BYMBRQVQFYNNEY-NVXWUHKLSA-N 2 1 330.476 1.811 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cncn3C)CC2)CC[N@@H+]1C ZINC001002859248 709466867 /nfs/dbraw/zinc/46/68/67/709466867.db2.gz NBRVEEAHVIFSEF-DLBZAZTESA-N 2 1 333.480 1.231 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cncn3C)CC2)CC[N@H+]1C ZINC001002859248 709466869 /nfs/dbraw/zinc/46/68/69/709466869.db2.gz NBRVEEAHVIFSEF-DLBZAZTESA-N 2 1 333.480 1.231 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034239286 709621267 /nfs/dbraw/zinc/62/12/67/709621267.db2.gz UGEWDJWRVWIDLI-IAGOWNOFSA-N 2 1 325.497 1.317 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCCO)C2)C1 ZINC001034239286 709621271 /nfs/dbraw/zinc/62/12/71/709621271.db2.gz UGEWDJWRVWIDLI-IAGOWNOFSA-N 2 1 325.497 1.317 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCCO)C2)C1 ZINC001034239286 709621274 /nfs/dbraw/zinc/62/12/74/709621274.db2.gz UGEWDJWRVWIDLI-IAGOWNOFSA-N 2 1 325.497 1.317 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038556695 709652646 /nfs/dbraw/zinc/65/26/46/709652646.db2.gz RTISABUPXNVTHO-WBVHZDCISA-N 2 1 333.476 1.630 20 0 EDADMP COCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289563 709713294 /nfs/dbraw/zinc/71/32/94/709713294.db2.gz VFZKGYCFXAVNGB-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP COCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034289563 709713296 /nfs/dbraw/zinc/71/32/96/709713296.db2.gz VFZKGYCFXAVNGB-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP COCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034289563 709713300 /nfs/dbraw/zinc/71/33/00/709713300.db2.gz VFZKGYCFXAVNGB-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1ncccc1C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001045385644 709714048 /nfs/dbraw/zinc/71/40/48/709714048.db2.gz UPYDLLDRVDJFMR-KRWDZBQOSA-N 2 1 330.476 1.955 20 0 EDADMP COC[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309888 709753025 /nfs/dbraw/zinc/75/30/25/709753025.db2.gz PQVZQWKPCXBZGU-GOEBONIOSA-N 2 1 330.432 1.954 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC001034378268 709899286 /nfs/dbraw/zinc/89/92/86/709899286.db2.gz QNEUQTQOULTALL-SJLPKXTDSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001034401041 709945384 /nfs/dbraw/zinc/94/53/84/709945384.db2.gz IHRBADRKWIOWGF-CRAIPNDOSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034401041 709945387 /nfs/dbraw/zinc/94/53/87/709945387.db2.gz IHRBADRKWIOWGF-CRAIPNDOSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034401041 709945389 /nfs/dbraw/zinc/94/53/89/709945389.db2.gz IHRBADRKWIOWGF-CRAIPNDOSA-N 2 1 347.507 1.541 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CCn3cccn3)C2)CC1 ZINC001034462889 710031778 /nfs/dbraw/zinc/03/17/78/710031778.db2.gz PPYGZHJSLAZYDK-GOSISDBHSA-N 2 1 347.507 1.586 20 0 EDADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001034490359 710109036 /nfs/dbraw/zinc/10/90/36/710109036.db2.gz HYXXKPDVMHPQGW-SJORKVTESA-N 2 1 349.519 1.868 20 0 EDADMP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001034491780 710112356 /nfs/dbraw/zinc/11/23/56/710112356.db2.gz XEADIFLYAXDCJV-INIZCTEOSA-N 2 1 343.475 1.352 20 0 EDADMP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001034491780 710112358 /nfs/dbraw/zinc/11/23/58/710112358.db2.gz XEADIFLYAXDCJV-INIZCTEOSA-N 2 1 343.475 1.352 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](CCC[C@H]2CCOC2)C1)C12CC[NH+](CC1)C2 ZINC001034492112 710112957 /nfs/dbraw/zinc/11/29/57/710112957.db2.gz YAIMGBODDHTDAZ-ROUUACIJSA-N 2 1 349.519 1.870 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CC[C@H]2CCCO2)C1)C12CC[NH+](CC1)C2 ZINC001034488337 710137411 /nfs/dbraw/zinc/13/74/11/710137411.db2.gz UJQOCZKLTYXQMA-IAGOWNOFSA-N 2 1 335.492 1.622 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001034527504 710180944 /nfs/dbraw/zinc/18/09/44/710180944.db2.gz FCLQKSKVSIZXOU-RTBURBONSA-N 2 1 345.487 1.787 20 0 EDADMP Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC001034614928 710290152 /nfs/dbraw/zinc/29/01/52/710290152.db2.gz XSQLOTAPPUXGFQ-GUDVDZBRSA-N 2 1 345.487 1.843 20 0 EDADMP Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC001034614928 710290153 /nfs/dbraw/zinc/29/01/53/710290153.db2.gz XSQLOTAPPUXGFQ-GUDVDZBRSA-N 2 1 345.487 1.843 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)o1 ZINC001034642804 710318665 /nfs/dbraw/zinc/31/86/65/710318665.db2.gz MIZHQYRBKOTZEN-BZUAXINKSA-N 2 1 349.479 1.768 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)o1 ZINC001034642804 710318669 /nfs/dbraw/zinc/31/86/69/710318669.db2.gz MIZHQYRBKOTZEN-BZUAXINKSA-N 2 1 349.479 1.768 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001034647592 710324182 /nfs/dbraw/zinc/32/41/82/710324182.db2.gz MWYJTICTKUCRNF-VDHUWJSZSA-N 2 1 347.507 1.320 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034648098 710324933 /nfs/dbraw/zinc/32/49/33/710324933.db2.gz YJJIWYQALMXVBF-KLHDSHLOSA-N 2 1 334.464 1.840 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003424075 710339524 /nfs/dbraw/zinc/33/95/24/710339524.db2.gz NMHDRVQZLBIDDE-UHFFFAOYSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001003627542 710457461 /nfs/dbraw/zinc/45/74/61/710457461.db2.gz GJDQKUYKVQQKNY-DOTOQJQBSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001003634393 710462007 /nfs/dbraw/zinc/46/20/07/710462007.db2.gz KAYDEDXOICFHKQ-HNAYVOBHSA-N 2 1 345.487 1.457 20 0 EDADMP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003737130 710518624 /nfs/dbraw/zinc/51/86/24/710518624.db2.gz GMYNDMHRWCROBQ-WBVHZDCISA-N 2 1 325.497 1.865 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001034659011 710588011 /nfs/dbraw/zinc/58/80/11/710588011.db2.gz CKQXGJUOOOHHCZ-ZOBUZTSGSA-N 2 1 341.471 1.616 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cccnc2)CC1 ZINC001005591972 710650312 /nfs/dbraw/zinc/65/03/12/710650312.db2.gz JXLASZGHOICQRY-GOSISDBHSA-N 2 1 330.476 1.989 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2cnccn2)CC1 ZINC001034693287 710783390 /nfs/dbraw/zinc/78/33/90/710783390.db2.gz WACQFWMSQZHKET-JYJNAYRXSA-N 2 1 342.447 1.760 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)CC2)o1 ZINC001034703604 710812840 /nfs/dbraw/zinc/81/28/40/710812840.db2.gz DDMAQBLJZFYAKC-SHTZXODSSA-N 2 1 349.479 1.769 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](C)O)CC1)C2 ZINC001034733821 710914371 /nfs/dbraw/zinc/91/43/71/710914371.db2.gz DMZLMTDVXMGDCA-UKMLZYKCSA-N 2 1 334.464 1.152 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1)c1cnccn1 ZINC001034733783 710914424 /nfs/dbraw/zinc/91/44/24/710914424.db2.gz CTFFCPBJDNSJGO-YYIAUSFCSA-N 2 1 345.491 1.896 20 0 EDADMP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001034736249 710922592 /nfs/dbraw/zinc/92/25/92/710922592.db2.gz UNJVVSQCEKIGCD-WKILWMFISA-N 2 1 347.507 1.669 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034738824 710931709 /nfs/dbraw/zinc/93/17/09/710931709.db2.gz VQQQFOWWMIQCDH-TUUVXOQKSA-N 2 1 334.464 1.698 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC001032958462 710951327 /nfs/dbraw/zinc/95/13/27/710951327.db2.gz AJNBGRUJYAEZOM-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC001032958462 710951330 /nfs/dbraw/zinc/95/13/30/710951330.db2.gz AJNBGRUJYAEZOM-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC001032958462 710951335 /nfs/dbraw/zinc/95/13/35/710951335.db2.gz AJNBGRUJYAEZOM-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001034738608 710954081 /nfs/dbraw/zinc/95/40/81/710954081.db2.gz UOTYPRKQNHBPGZ-ANQUJSFKSA-N 2 1 348.495 1.013 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032959900 710994718 /nfs/dbraw/zinc/99/47/18/710994718.db2.gz KLYBGOFEQJNICQ-MSOLQXFVSA-N 2 1 347.507 1.899 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032959900 710994723 /nfs/dbraw/zinc/99/47/23/710994723.db2.gz KLYBGOFEQJNICQ-MSOLQXFVSA-N 2 1 347.507 1.899 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032959900 710994729 /nfs/dbraw/zinc/99/47/29/710994729.db2.gz KLYBGOFEQJNICQ-MSOLQXFVSA-N 2 1 347.507 1.899 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032959900 710994733 /nfs/dbraw/zinc/99/47/33/710994733.db2.gz KLYBGOFEQJNICQ-MSOLQXFVSA-N 2 1 347.507 1.899 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001032975714 711067403 /nfs/dbraw/zinc/06/74/03/711067403.db2.gz KVSYUGBVFLCOBX-QZTJIDSGSA-N 2 1 331.460 1.092 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001032975714 711067407 /nfs/dbraw/zinc/06/74/07/711067407.db2.gz KVSYUGBVFLCOBX-QZTJIDSGSA-N 2 1 331.460 1.092 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC001032975714 711067411 /nfs/dbraw/zinc/06/74/11/711067411.db2.gz KVSYUGBVFLCOBX-QZTJIDSGSA-N 2 1 331.460 1.092 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC001032975714 711067415 /nfs/dbraw/zinc/06/74/15/711067415.db2.gz KVSYUGBVFLCOBX-QZTJIDSGSA-N 2 1 331.460 1.092 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001005712336 711097043 /nfs/dbraw/zinc/09/70/43/711097043.db2.gz COMGEFVDGGXACD-INIZCTEOSA-N 2 1 334.464 1.541 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC001034794632 711111814 /nfs/dbraw/zinc/11/18/14/711111814.db2.gz LQTNGNWXTCTOIF-ULQDDVLXSA-N 2 1 334.464 1.778 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2nc(C)no2)CC1 ZINC001034796230 711116212 /nfs/dbraw/zinc/11/62/12/711116212.db2.gz GCEBUCCHXZEWMQ-BZUAXINKSA-N 2 1 349.479 1.769 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nc(C)no2)CC1 ZINC001034796230 711116222 /nfs/dbraw/zinc/11/62/22/711116222.db2.gz GCEBUCCHXZEWMQ-BZUAXINKSA-N 2 1 349.479 1.769 20 0 EDADMP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC001034818997 711206366 /nfs/dbraw/zinc/20/63/66/711206366.db2.gz URZXUKJSELDRHN-MSOLQXFVSA-N 2 1 331.460 1.664 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH2+]C[C@H]3CCCOC3)cc2)C1 ZINC001034830781 711236618 /nfs/dbraw/zinc/23/66/18/711236618.db2.gz DJZGSUAXXFHBQH-RTBURBONSA-N 2 1 345.487 1.771 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn3ccccc13)C2 ZINC000922387766 711428143 /nfs/dbraw/zinc/42/81/43/711428143.db2.gz MWHLYIPLUNKXBG-OWYHZJEWSA-N 2 1 328.460 1.904 20 0 EDADMP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)C2 ZINC000922387866 711429652 /nfs/dbraw/zinc/42/96/52/711429652.db2.gz LOJGLBOLFPCISG-KONPQCLYSA-N 2 1 335.496 1.602 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)C2 ZINC000922387866 711429655 /nfs/dbraw/zinc/42/96/55/711429655.db2.gz LOJGLBOLFPCISG-KONPQCLYSA-N 2 1 335.496 1.602 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CC(C)(C)CO1)C1CCC1 ZINC001034957819 711430580 /nfs/dbraw/zinc/43/05/80/711430580.db2.gz KKEKKISMZPYVJI-SJORKVTESA-N 2 1 337.508 1.866 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC001004152553 711549419 /nfs/dbraw/zinc/54/94/19/711549419.db2.gz UQCDQHFFGBFICP-UHFFFAOYSA-N 2 1 341.459 1.984 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001004186309 711620350 /nfs/dbraw/zinc/62/03/50/711620350.db2.gz ROQSJPOSJHPMKC-HNNXBMFYSA-N 2 1 345.434 1.333 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001004186309 711620351 /nfs/dbraw/zinc/62/03/51/711620351.db2.gz ROQSJPOSJHPMKC-HNNXBMFYSA-N 2 1 345.434 1.333 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004482154 711859997 /nfs/dbraw/zinc/85/99/97/711859997.db2.gz CBIGKUJUVKTWLQ-KRWDZBQOSA-N 2 1 334.464 1.541 20 0 EDADMP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004482154 711859999 /nfs/dbraw/zinc/85/99/99/711859999.db2.gz CBIGKUJUVKTWLQ-KRWDZBQOSA-N 2 1 334.464 1.541 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033125928 711867883 /nfs/dbraw/zinc/86/78/83/711867883.db2.gz JDLJNVIHYYKLDP-SJORKVTESA-N 2 1 333.480 1.327 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033125928 711867885 /nfs/dbraw/zinc/86/78/85/711867885.db2.gz JDLJNVIHYYKLDP-SJORKVTESA-N 2 1 333.480 1.327 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033125928 711867887 /nfs/dbraw/zinc/86/78/87/711867887.db2.gz JDLJNVIHYYKLDP-SJORKVTESA-N 2 1 333.480 1.327 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033125928 711867890 /nfs/dbraw/zinc/86/78/90/711867890.db2.gz JDLJNVIHYYKLDP-SJORKVTESA-N 2 1 333.480 1.327 20 0 EDADMP C[C@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001004598306 712041276 /nfs/dbraw/zinc/04/12/76/712041276.db2.gz WDBRFMFYJRBWBS-GOEBONIOSA-N 2 1 348.491 1.771 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)CC[C@@H]2C1 ZINC000946642285 712126378 /nfs/dbraw/zinc/12/63/78/712126378.db2.gz CKCXNFJEZRHZHG-ZSYWTGECSA-N 2 1 349.519 1.820 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC[C@@H]2C1 ZINC000946642285 712126380 /nfs/dbraw/zinc/12/63/80/712126380.db2.gz CKCXNFJEZRHZHG-ZSYWTGECSA-N 2 1 349.519 1.820 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC[C@@H]2C1 ZINC000946642285 712126382 /nfs/dbraw/zinc/12/63/82/712126382.db2.gz CKCXNFJEZRHZHG-ZSYWTGECSA-N 2 1 349.519 1.820 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000174622384 231259570 /nfs/dbraw/zinc/25/95/70/231259570.db2.gz CMUUGOOTBRPHLF-DOTOQJQBSA-N 2 1 340.512 1.611 20 0 EDADMP CN(C)[C@H]1CCC[N@H+](CC2(CN3CCC[C@@H]([NH+](C)C)C3)COC2)C1 ZINC000119383747 282187430 /nfs/dbraw/zinc/18/74/30/282187430.db2.gz YHGTZZREYRWXEP-HDICACEKSA-N 2 1 338.540 1.055 20 0 EDADMP CN(C)[C@H]1CCC[N@@H+](CC2(CN3CCC[C@@H]([NH+](C)C)C3)COC2)C1 ZINC000119383747 282187431 /nfs/dbraw/zinc/18/74/31/282187431.db2.gz YHGTZZREYRWXEP-HDICACEKSA-N 2 1 338.540 1.055 20 0 EDADMP CN(C)[C@@H]1CCC[N@H+](CC2(CN3CCC[C@H]([NH+](C)C)C3)COC2)C1 ZINC000119383747 282187433 /nfs/dbraw/zinc/18/74/33/282187433.db2.gz YHGTZZREYRWXEP-HDICACEKSA-N 2 1 338.540 1.055 20 0 EDADMP CN(C)[C@@H]1CCC[N@@H+](CC2(CN3CCC[C@H]([NH+](C)C)C3)COC2)C1 ZINC000119383747 282187434 /nfs/dbraw/zinc/18/74/34/282187434.db2.gz YHGTZZREYRWXEP-HDICACEKSA-N 2 1 338.540 1.055 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@]1(CC)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000119589367 282237396 /nfs/dbraw/zinc/23/73/96/282237396.db2.gz OYYBEVHLGOALJC-SJLPKXTDSA-N 2 1 325.497 1.629 20 0 EDADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000153667327 539342274 /nfs/dbraw/zinc/34/22/74/539342274.db2.gz WDDCCGIYJJALSU-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000153667327 539342276 /nfs/dbraw/zinc/34/22/76/539342276.db2.gz WDDCCGIYJJALSU-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NCC[NH+]2CCCC2)c2ccccc2)CC1 ZINC000349077487 282961227 /nfs/dbraw/zinc/96/12/27/282961227.db2.gz FGISCGKZRXCZOO-GOSISDBHSA-N 2 1 330.476 1.187 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)c1c(F)cccc1F ZINC000174717509 529887574 /nfs/dbraw/zinc/88/75/74/529887574.db2.gz VFEZJNXLGARBCD-INIZCTEOSA-N 2 1 327.419 1.568 20 0 EDADMP CN(CC[N@H+](C)C1CC1)C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000186744589 529901762 /nfs/dbraw/zinc/90/17/62/529901762.db2.gz SUPXUDFWCZRELQ-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000186744589 529901763 /nfs/dbraw/zinc/90/17/63/529901763.db2.gz SUPXUDFWCZRELQ-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000186744589 529901764 /nfs/dbraw/zinc/90/17/64/529901764.db2.gz SUPXUDFWCZRELQ-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000186744589 529901765 /nfs/dbraw/zinc/90/17/65/529901765.db2.gz SUPXUDFWCZRELQ-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C1=CC[NH+](C)CC1 ZINC000333311361 299105504 /nfs/dbraw/zinc/10/55/04/299105504.db2.gz VJIWAZYPIKYXII-GJZGRUSLSA-N 2 1 338.496 1.123 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000333311361 299105507 /nfs/dbraw/zinc/10/55/07/299105507.db2.gz VJIWAZYPIKYXII-GJZGRUSLSA-N 2 1 338.496 1.123 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000333311361 299105510 /nfs/dbraw/zinc/10/55/10/299105510.db2.gz VJIWAZYPIKYXII-GJZGRUSLSA-N 2 1 338.496 1.123 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cn2cc[nH+]c12 ZINC000559605932 306256851 /nfs/dbraw/zinc/25/68/51/306256851.db2.gz QZEKWNSSYZIBOE-HNNXBMFYSA-N 2 1 341.415 1.278 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000559864282 306259284 /nfs/dbraw/zinc/25/92/84/306259284.db2.gz ORGHKHLZCMBQFZ-INIZCTEOSA-N 2 1 335.496 1.385 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000559864282 306259285 /nfs/dbraw/zinc/25/92/85/306259285.db2.gz ORGHKHLZCMBQFZ-INIZCTEOSA-N 2 1 335.496 1.385 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000165309245 530035991 /nfs/dbraw/zinc/03/59/91/530035991.db2.gz NGNULQGMBZIJDY-LSDHHAIUSA-N 2 1 339.505 1.977 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000165634026 530036440 /nfs/dbraw/zinc/03/64/40/530036440.db2.gz UZLRUSYXUFKNMZ-ZDUSSCGKSA-N 2 1 336.461 1.841 20 0 EDADMP C[NH+]1CCC(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000174729794 530048190 /nfs/dbraw/zinc/04/81/90/530048190.db2.gz FLHSBVAZQLCPGW-UHFFFAOYSA-N 2 1 331.460 1.842 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)CC1 ZINC000560498170 306271877 /nfs/dbraw/zinc/27/18/77/306271877.db2.gz OEXNTZZGFZXTMJ-SJLPKXTDSA-N 2 1 339.524 1.991 20 0 EDADMP C[C@@H]1CN(CCO)CCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000560516002 306273051 /nfs/dbraw/zinc/27/30/51/306273051.db2.gz VUXQIQMATDSERA-KBAYOESNSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000560516002 306273052 /nfs/dbraw/zinc/27/30/52/306273052.db2.gz VUXQIQMATDSERA-KBAYOESNSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000560516002 306273053 /nfs/dbraw/zinc/27/30/53/306273053.db2.gz VUXQIQMATDSERA-KBAYOESNSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000560516002 306273055 /nfs/dbraw/zinc/27/30/55/306273055.db2.gz VUXQIQMATDSERA-KBAYOESNSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(=O)[nH]n1 ZINC000560521457 306273496 /nfs/dbraw/zinc/27/34/96/306273496.db2.gz QTQPXPOBDJKQSJ-UKRRQHHQSA-N 2 1 347.488 1.883 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H](C(C)C)N1CCOCC1)C(C)C ZINC000102551469 219210341 /nfs/dbraw/zinc/21/03/41/219210341.db2.gz GMKQVXLZHHGTLH-INIZCTEOSA-N 2 1 328.501 1.373 20 0 EDADMP CC[N@H+](CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC000102551469 219210342 /nfs/dbraw/zinc/21/03/42/219210342.db2.gz GMKQVXLZHHGTLH-INIZCTEOSA-N 2 1 328.501 1.373 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC000102551469 219210344 /nfs/dbraw/zinc/21/03/44/219210344.db2.gz GMKQVXLZHHGTLH-INIZCTEOSA-N 2 1 328.501 1.373 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000436126287 539569635 /nfs/dbraw/zinc/56/96/35/539569635.db2.gz QPFUROFYESLETD-HUUCEWRRSA-N 2 1 328.501 1.203 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccncc3)CC2)CC[N@H+]1C ZINC000332789554 539602491 /nfs/dbraw/zinc/60/24/91/539602491.db2.gz KJRXQKNTGKUQER-DOTOQJQBSA-N 2 1 331.464 1.392 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000561166621 306283791 /nfs/dbraw/zinc/28/37/91/306283791.db2.gz UARPKCJXBDKWMK-UHOSZYNNSA-N 2 1 344.503 1.930 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000103534892 219313368 /nfs/dbraw/zinc/31/33/68/219313368.db2.gz GHHMBNJGLLEJDJ-ZACQAIPSSA-N 2 1 327.513 1.920 20 0 EDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@]1(N2CCOCC2)CCSC1 ZINC000166316096 539922781 /nfs/dbraw/zinc/92/27/81/539922781.db2.gz QJFNFWLLWYLVQT-BRWVUGGUSA-N 2 1 325.522 1.411 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353521346 539934277 /nfs/dbraw/zinc/93/42/77/539934277.db2.gz RFOVPBMDFIQMDK-KZNAEPCWSA-N 2 1 336.524 1.392 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1c1ccc(Cl)cc1 ZINC000562808842 306309944 /nfs/dbraw/zinc/30/99/44/306309944.db2.gz GJBCQFFTNHWLML-DGADGQDISA-N 2 1 334.851 1.602 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1c1ccc(Cl)cc1 ZINC000562808842 306309945 /nfs/dbraw/zinc/30/99/45/306309945.db2.gz GJBCQFFTNHWLML-DGADGQDISA-N 2 1 334.851 1.602 20 0 EDADMP C[C@H](C(=O)N(C)C1CC([NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000563116024 306318948 /nfs/dbraw/zinc/31/89/48/306318948.db2.gz XEQNITXLYQTHJI-BZOOQXSSSA-N 2 1 334.439 1.284 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000563272145 306325810 /nfs/dbraw/zinc/32/58/10/306325810.db2.gz LAIVFHXKQRSYRW-KRWDZBQOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000377082375 291062867 /nfs/dbraw/zinc/06/28/67/291062867.db2.gz NDEBVHBVUVCDHU-JENIJYKNSA-N 2 1 336.524 1.645 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000413054948 304053163 /nfs/dbraw/zinc/05/31/63/304053163.db2.gz RUXMANJZXBAVSO-RDJZCZTQSA-N 2 1 334.464 1.691 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000360170767 283165995 /nfs/dbraw/zinc/16/59/95/283165995.db2.gz KQTPACCJIWJSQD-INIZCTEOSA-N 2 1 340.512 1.215 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000083226427 138268932 /nfs/dbraw/zinc/26/89/32/138268932.db2.gz GIQYLOLLRMOVCX-KRWDZBQOSA-N 2 1 338.496 1.367 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2C(=O)NC)CC1 ZINC000092099304 138286666 /nfs/dbraw/zinc/28/66/66/138286666.db2.gz GAPOVXKTLHZBAJ-GOSISDBHSA-N 2 1 330.476 1.539 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000563580476 306339655 /nfs/dbraw/zinc/33/96/55/306339655.db2.gz IXNNISIBRMANSK-PVAVHDDUSA-N 2 1 332.448 1.191 20 0 EDADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000098030139 138297233 /nfs/dbraw/zinc/29/72/33/138297233.db2.gz QGUCYSXAHCCURW-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000098030139 138297234 /nfs/dbraw/zinc/29/72/34/138297234.db2.gz QGUCYSXAHCCURW-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093660092 138294280 /nfs/dbraw/zinc/29/42/80/138294280.db2.gz ZDDUNMXCETVUFB-GOSISDBHSA-N 2 1 346.523 1.535 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093660092 138294281 /nfs/dbraw/zinc/29/42/81/138294281.db2.gz ZDDUNMXCETVUFB-GOSISDBHSA-N 2 1 346.523 1.535 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000120900218 138316482 /nfs/dbraw/zinc/31/64/82/138316482.db2.gz GZHUXYDMIPJBBO-AEFFLSMTSA-N 2 1 348.491 1.384 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000120900218 138316483 /nfs/dbraw/zinc/31/64/83/138316483.db2.gz GZHUXYDMIPJBBO-AEFFLSMTSA-N 2 1 348.491 1.384 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000120900218 138316484 /nfs/dbraw/zinc/31/64/84/138316484.db2.gz GZHUXYDMIPJBBO-AEFFLSMTSA-N 2 1 348.491 1.384 20 0 EDADMP COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000132250932 138373831 /nfs/dbraw/zinc/37/38/31/138373831.db2.gz CJQXEOXEBLJEGB-MRXNPFEDSA-N 2 1 339.480 1.110 20 0 EDADMP CCC[NH2+]CCNC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000418474950 283386019 /nfs/dbraw/zinc/38/60/19/283386019.db2.gz PGHRUEHEXKLTGV-IRXDYDNUSA-N 2 1 333.480 1.715 20 0 EDADMP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000413850899 304081595 /nfs/dbraw/zinc/08/15/95/304081595.db2.gz DEPPETRIKYMMST-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000413850899 304081596 /nfs/dbraw/zinc/08/15/96/304081596.db2.gz DEPPETRIKYMMST-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000413850899 304081597 /nfs/dbraw/zinc/08/15/97/304081597.db2.gz DEPPETRIKYMMST-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000413850899 304081598 /nfs/dbraw/zinc/08/15/98/304081598.db2.gz DEPPETRIKYMMST-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000106539576 219662249 /nfs/dbraw/zinc/66/22/49/219662249.db2.gz OBXKVSKZUOQOOF-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP C[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000564714363 306363302 /nfs/dbraw/zinc/36/33/02/306363302.db2.gz UGWCVVNRVDIBRI-LLVKDONJSA-N 2 1 335.358 1.886 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000564714363 306363303 /nfs/dbraw/zinc/36/33/03/306363303.db2.gz UGWCVVNRVDIBRI-LLVKDONJSA-N 2 1 335.358 1.886 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CC[C@@H](C)O3)CC2)CC1 ZINC000565210332 306378645 /nfs/dbraw/zinc/37/86/45/306378645.db2.gz WJCVJXONXBUGJZ-QAPCUYQASA-N 2 1 337.508 1.866 20 0 EDADMP Cc1ccccc1OC[C@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129792933 223092111 /nfs/dbraw/zinc/09/21/11/223092111.db2.gz IDYJZZUROHWRFW-GOSISDBHSA-N 2 1 335.492 1.304 20 0 EDADMP C[C@@H](NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccn(C)n1 ZINC000414067057 304099499 /nfs/dbraw/zinc/09/94/99/304099499.db2.gz HPJYMJXMUXTWCM-MRXNPFEDSA-N 2 1 328.464 1.678 20 0 EDADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000414113470 304100598 /nfs/dbraw/zinc/10/05/98/304100598.db2.gz KQFGNOPVMKTAEV-HOCLYGCPSA-N 2 1 334.464 1.198 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000565836583 306393250 /nfs/dbraw/zinc/39/32/50/306393250.db2.gz QSSRAPMARPOAKI-LJQANCHMSA-N 2 1 348.466 1.359 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000414702205 304129796 /nfs/dbraw/zinc/12/97/96/304129796.db2.gz UVOXDDFRVWLNED-QRVBRYPASA-N 3 1 338.540 1.101 20 0 EDADMP CC(C)N1CCO[C@@H](CN2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000414702205 304129798 /nfs/dbraw/zinc/12/97/98/304129798.db2.gz UVOXDDFRVWLNED-QRVBRYPASA-N 2 1 338.540 1.101 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414720659 304132749 /nfs/dbraw/zinc/13/27/49/304132749.db2.gz ZHLAKSFWRNMBQN-UHFFFAOYSA-N 2 1 344.459 1.071 20 0 EDADMP COc1cc2c(cc1F)C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000414759835 304137989 /nfs/dbraw/zinc/13/79/89/304137989.db2.gz PHZJISLBSYNAMR-ZDUSSCGKSA-N 2 1 335.423 1.390 20 0 EDADMP COCCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414795995 304141756 /nfs/dbraw/zinc/14/17/56/304141756.db2.gz WXWCPWGEJUAAMO-QGZVFWFLSA-N 2 1 334.460 1.899 20 0 EDADMP O=C([C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]C1)N1CCOCC1 ZINC000415121023 304161708 /nfs/dbraw/zinc/16/17/08/304161708.db2.gz YSQMPLLSQUNJRN-ROUUACIJSA-N 2 1 331.460 1.046 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CC(=O)N(CC(F)(F)F)C1=O ZINC000195245927 139011191 /nfs/dbraw/zinc/01/11/91/139011191.db2.gz JFIAGOMIQROJFK-LLVKDONJSA-N 2 1 332.326 1.203 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CC(=O)N(CC(F)(F)F)C1=O ZINC000195245927 139011192 /nfs/dbraw/zinc/01/11/92/139011192.db2.gz JFIAGOMIQROJFK-LLVKDONJSA-N 2 1 332.326 1.203 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000415175336 304171126 /nfs/dbraw/zinc/17/11/26/304171126.db2.gz WOTNJOCFIVOWPA-WBVHZDCISA-N 2 1 344.459 1.287 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000496173659 284350066 /nfs/dbraw/zinc/35/00/66/284350066.db2.gz UWDHXSKVZGKZTP-KFWWJZLASA-N 2 1 329.485 1.534 20 0 EDADMP C[C@@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237496871 139052553 /nfs/dbraw/zinc/05/25/53/139052553.db2.gz PNXKJTCFEOLVLN-BBRMVZONSA-N 2 1 337.851 1.534 20 0 EDADMP C[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)[N@@H+]1CCc2sccc2C1 ZINC000237547483 139053661 /nfs/dbraw/zinc/05/36/61/139053661.db2.gz NXAWIKJNMVRTTN-DZGCQCFKSA-N 2 1 337.489 1.380 20 0 EDADMP C[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)[N@H+]1CCc2sccc2C1 ZINC000237547483 139053662 /nfs/dbraw/zinc/05/36/62/139053662.db2.gz NXAWIKJNMVRTTN-DZGCQCFKSA-N 2 1 337.489 1.380 20 0 EDADMP C[C@@H](O)C[C@H]1CCC[N@H+]1CC1(C[NH+]2CCC[C@H]2C[C@@H](C)O)COC1 ZINC000182360460 296196285 /nfs/dbraw/zinc/19/62/85/296196285.db2.gz UGAHRGXXXFJYSQ-TVFCKZIOSA-N 2 1 340.508 1.474 20 0 EDADMP C[C@@H](O)C[C@H]1CCC[NH+]1CC1(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)COC1 ZINC000182360460 296196287 /nfs/dbraw/zinc/19/62/87/296196287.db2.gz UGAHRGXXXFJYSQ-TVFCKZIOSA-N 2 1 340.508 1.474 20 0 EDADMP C[C@@H](O)C[C@H]1CCC[NH+]1CC1(C[N@H+]2CCC[C@H]2C[C@@H](C)O)COC1 ZINC000182360460 296196289 /nfs/dbraw/zinc/19/62/89/296196289.db2.gz UGAHRGXXXFJYSQ-TVFCKZIOSA-N 2 1 340.508 1.474 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000111468264 220159264 /nfs/dbraw/zinc/15/92/64/220159264.db2.gz BRMISWUZYWHMIJ-INIZCTEOSA-N 2 1 326.485 1.272 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)nc(C)[nH+]1 ZINC000237786356 139060402 /nfs/dbraw/zinc/06/04/02/139060402.db2.gz GHTSHWFKQBCGSI-LSDHHAIUSA-N 2 1 331.464 1.696 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000111883472 220216522 /nfs/dbraw/zinc/21/65/22/220216522.db2.gz AOQKEHUKDJJMKU-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000111883472 220216526 /nfs/dbraw/zinc/21/65/26/220216526.db2.gz AOQKEHUKDJJMKU-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000111883468 220216567 /nfs/dbraw/zinc/21/65/67/220216567.db2.gz AOQKEHUKDJJMKU-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2CC)CC1 ZINC000111883468 220216572 /nfs/dbraw/zinc/21/65/72/220216572.db2.gz AOQKEHUKDJJMKU-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP O=C1CNC(=O)N1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245645624 139081968 /nfs/dbraw/zinc/08/19/68/139081968.db2.gz BMBXQLYSMJPSJS-OSYLJGHBSA-N 2 1 342.443 1.323 20 0 EDADMP O=C(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245699206 139083643 /nfs/dbraw/zinc/08/36/43/139083643.db2.gz LMJOSBKVESDFQX-REPLKXPHSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245699206 139083644 /nfs/dbraw/zinc/08/36/44/139083644.db2.gz LMJOSBKVESDFQX-REPLKXPHSA-N 2 1 343.471 1.630 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000415290262 304186826 /nfs/dbraw/zinc/18/68/26/304186826.db2.gz CXPFRNUUDMINPZ-MRXNPFEDSA-N 2 1 332.448 1.286 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H](N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2=O)c1 ZINC000246338026 139104513 /nfs/dbraw/zinc/10/45/13/139104513.db2.gz GQBQTXXEGPXMKH-IYOUNJFTSA-N 2 1 347.459 1.881 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246702127 139117778 /nfs/dbraw/zinc/11/77/78/139117778.db2.gz CBDQDNQPHZRAQH-FUHWJXTLSA-N 2 1 336.476 1.846 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246702127 139117779 /nfs/dbraw/zinc/11/77/79/139117779.db2.gz CBDQDNQPHZRAQH-FUHWJXTLSA-N 2 1 336.476 1.846 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246702127 139117780 /nfs/dbraw/zinc/11/77/80/139117780.db2.gz CBDQDNQPHZRAQH-FUHWJXTLSA-N 2 1 336.476 1.846 20 0 EDADMP C[C@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247083298 139135000 /nfs/dbraw/zinc/13/50/00/139135000.db2.gz TYFJHYTWDGAMHH-IXDOHACOSA-N 2 1 338.540 1.638 20 0 EDADMP C[C@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247083298 139135001 /nfs/dbraw/zinc/13/50/01/139135001.db2.gz TYFJHYTWDGAMHH-IXDOHACOSA-N 2 1 338.540 1.638 20 0 EDADMP C[C@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247083298 139135002 /nfs/dbraw/zinc/13/50/02/139135002.db2.gz TYFJHYTWDGAMHH-IXDOHACOSA-N 2 1 338.540 1.638 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)c2C1 ZINC000415329211 304196141 /nfs/dbraw/zinc/19/61/41/304196141.db2.gz XZVYSXSRONRVRA-AWEZNQCLSA-N 2 1 330.432 1.171 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)c2C1 ZINC000415329211 304196143 /nfs/dbraw/zinc/19/61/43/304196143.db2.gz XZVYSXSRONRVRA-AWEZNQCLSA-N 2 1 330.432 1.171 20 0 EDADMP CC[C@H](C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000248065321 139157979 /nfs/dbraw/zinc/15/79/79/139157979.db2.gz ZIRVXOWVMKWEKH-MOPGFXCFSA-N 2 1 346.519 1.822 20 0 EDADMP COC(=O)[C@H](CC(C)C)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248163852 139158986 /nfs/dbraw/zinc/15/89/86/139158986.db2.gz SPRLJGITUGMVQL-JYJNAYRXSA-N 2 1 339.480 1.106 20 0 EDADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(C)c1 ZINC000261597710 139209443 /nfs/dbraw/zinc/20/94/43/139209443.db2.gz AGFHLWIQLRSXFL-INIZCTEOSA-N 2 1 346.475 1.337 20 0 EDADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(C)c1 ZINC000261597710 139209444 /nfs/dbraw/zinc/20/94/44/139209444.db2.gz AGFHLWIQLRSXFL-INIZCTEOSA-N 2 1 346.475 1.337 20 0 EDADMP [NH3+]CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000261537222 139208620 /nfs/dbraw/zinc/20/86/20/139208620.db2.gz CNTUQPYUQRRYRT-QGZVFWFLSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000261613960 139211057 /nfs/dbraw/zinc/21/10/57/139211057.db2.gz BOCWOFGZJSXNKB-FHLIZLRMSA-N 2 1 331.460 1.520 20 0 EDADMP CCc1nc(N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc(C)[nH+]1 ZINC000261634464 139213077 /nfs/dbraw/zinc/21/30/77/139213077.db2.gz HPRRBKJLYDDNGX-HUUCEWRRSA-N 2 1 331.464 1.432 20 0 EDADMP CCN1CCO[C@H](C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)C1 ZINC000261668614 139215806 /nfs/dbraw/zinc/21/58/06/139215806.db2.gz ABNAWOOMYBCKFL-HOTGVXAUSA-N 2 1 337.851 1.534 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]([NH3+])C2CCOCC2)cc1F ZINC000261787050 139226067 /nfs/dbraw/zinc/22/60/67/139226067.db2.gz GKHMYSNCECVXJH-KRWDZBQOSA-N 2 1 346.406 1.690 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CC[C@H]3CC[NH2+]C3)c2)CCO1 ZINC000261793523 139226587 /nfs/dbraw/zinc/22/65/87/139226587.db2.gz KMPSDRKBECSRAI-IRXDYDNUSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CC[C@H]3CC[NH2+]C3)c2)CCO1 ZINC000261793523 139226588 /nfs/dbraw/zinc/22/65/88/139226588.db2.gz KMPSDRKBECSRAI-IRXDYDNUSA-N 2 1 345.487 1.913 20 0 EDADMP CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)no1 ZINC000261887251 139234140 /nfs/dbraw/zinc/23/41/40/139234140.db2.gz SGAQYMZYEMHGNY-YOEHRIQHSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)no1 ZINC000261887251 139234141 /nfs/dbraw/zinc/23/41/41/139234141.db2.gz SGAQYMZYEMHGNY-YOEHRIQHSA-N 2 1 335.452 1.054 20 0 EDADMP c1cc2c(cc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)OCCO2 ZINC000261943166 139239008 /nfs/dbraw/zinc/23/90/08/139239008.db2.gz NCFNFAOOSKRCCV-ZACQAIPSSA-N 2 1 332.444 1.747 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261985213 139241872 /nfs/dbraw/zinc/24/18/72/139241872.db2.gz JPEVZQLJENUEOE-SFHVURJKSA-N 2 1 334.464 1.637 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261985213 139241873 /nfs/dbraw/zinc/24/18/73/139241873.db2.gz JPEVZQLJENUEOE-SFHVURJKSA-N 2 1 334.464 1.637 20 0 EDADMP CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000262034464 139245462 /nfs/dbraw/zinc/24/54/62/139245462.db2.gz OKIKBMZIJDOAQM-CQSZACIVSA-N 2 1 335.496 1.364 20 0 EDADMP C[C@@]1(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)CC[NH2+]C1 ZINC000262028386 139244949 /nfs/dbraw/zinc/24/49/49/139244949.db2.gz NTLVHDBDIRTDFJ-LJQANCHMSA-N 2 1 333.451 1.902 20 0 EDADMP C[C@@]1(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)CC[NH2+]C1 ZINC000262028386 139244950 /nfs/dbraw/zinc/24/49/50/139244950.db2.gz NTLVHDBDIRTDFJ-LJQANCHMSA-N 2 1 333.451 1.902 20 0 EDADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)c1 ZINC000262083133 139249590 /nfs/dbraw/zinc/24/95/90/139249590.db2.gz KVKXXOAJIKTLLW-SFHVURJKSA-N 2 1 330.476 1.711 20 0 EDADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3[NH2+]CCO[C@@H]3C)cc2)C1 ZINC000262109218 139251604 /nfs/dbraw/zinc/25/16/04/139251604.db2.gz FGJXFDSZGJYPOU-MDZRGWNJSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3[NH2+]CCO[C@@H]3C)cc2)C1 ZINC000262109218 139251605 /nfs/dbraw/zinc/25/16/05/139251605.db2.gz FGJXFDSZGJYPOU-MDZRGWNJSA-N 2 1 345.487 1.912 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000415968659 251041088 /nfs/dbraw/zinc/04/10/88/251041088.db2.gz XWXFCYCPZYWZRB-AWEZNQCLSA-N 2 1 334.464 1.715 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415980908 251042531 /nfs/dbraw/zinc/04/25/31/251042531.db2.gz TZBXCJLOOLBNAU-UHFFFAOYSA-N 2 1 334.464 1.967 20 0 EDADMP COc1ccccc1C[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262243072 139262887 /nfs/dbraw/zinc/26/28/87/139262887.db2.gz WHLPDZAYHIGNLK-KRWDZBQOSA-N 2 1 331.460 1.524 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000262279942 139266116 /nfs/dbraw/zinc/26/61/16/139266116.db2.gz KRNTWKCYCFOBOO-NVXWUHKLSA-N 2 1 348.466 1.581 20 0 EDADMP C[NH2+]CC1CCN(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000416830088 251112021 /nfs/dbraw/zinc/11/20/21/251112021.db2.gz GNVPYMFRSNKSLA-QGZVFWFLSA-N 2 1 348.491 1.939 20 0 EDADMP C[C@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000262316378 139269442 /nfs/dbraw/zinc/26/94/42/139269442.db2.gz QXNCAVZPUHGZGC-KRWDZBQOSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262317129 139269649 /nfs/dbraw/zinc/26/96/49/139269649.db2.gz UWEMQRFDVDZRHG-KURKYZTESA-N 2 1 344.503 1.831 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000417014793 251132478 /nfs/dbraw/zinc/13/24/78/251132478.db2.gz DYEUZRRAWWADNR-VVLHAWIVSA-N 2 1 340.512 1.502 20 0 EDADMP CC[C@H](CNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417005555 251126846 /nfs/dbraw/zinc/12/68/46/251126846.db2.gz DMWNTFZDQJPQKX-ZTFGCOKTSA-N 2 1 330.476 1.812 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262325740 139270409 /nfs/dbraw/zinc/27/04/09/139270409.db2.gz DLQDPECTABCMQI-QGWWYQLQSA-N 2 1 345.487 1.504 20 0 EDADMP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000262407027 139276817 /nfs/dbraw/zinc/27/68/17/139276817.db2.gz QGDUCGWGYQOUQJ-LSDHHAIUSA-N 2 1 337.489 1.455 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCC2)[C@@H](C)C1 ZINC000417666378 251219029 /nfs/dbraw/zinc/21/90/29/251219029.db2.gz CQKIIKLKBOHHOD-LSDHHAIUSA-N 2 1 326.485 1.304 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417608459 251205512 /nfs/dbraw/zinc/20/55/12/251205512.db2.gz ISPDBEBTBGATPY-GJZGRUSLSA-N 2 1 326.510 1.066 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)[nH+]1 ZINC000417688541 251228821 /nfs/dbraw/zinc/22/88/21/251228821.db2.gz DZLSYMFHPCVXQW-HOTGVXAUSA-N 2 1 343.475 1.610 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)[nH+]1 ZINC000417690432 251229776 /nfs/dbraw/zinc/22/97/76/251229776.db2.gz IBQYKNKDPZOYBC-SJPCQFCGSA-N 2 1 343.475 1.941 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH3+])[C@@H](C)C1 ZINC000417671725 251222588 /nfs/dbraw/zinc/22/25/88/251222588.db2.gz QZBJAVQFUYNUKG-JYJNAYRXSA-N 2 1 326.485 1.256 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000417718705 251241160 /nfs/dbraw/zinc/24/11/60/251241160.db2.gz WERDMSCPIYJCEP-DOTOQJQBSA-N 2 1 334.464 1.269 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)CC2)[nH+]c1 ZINC000417730461 251247501 /nfs/dbraw/zinc/24/75/01/251247501.db2.gz MMVMLDWOCMBAAT-HOTGVXAUSA-N 2 1 345.491 1.985 20 0 EDADMP C[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000417749737 251253801 /nfs/dbraw/zinc/25/38/01/251253801.db2.gz JNKHWWXMTOEFSA-DOTOQJQBSA-N 2 1 339.528 1.077 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)C[N@H+]1Cc1ccccc1 ZINC000417886784 251314418 /nfs/dbraw/zinc/31/44/18/251314418.db2.gz ZFPIYKMVNOGPFU-BPLDGKMQSA-N 2 1 340.418 1.931 20 0 EDADMP COCC1(CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH2+]CC1 ZINC000418109791 251324757 /nfs/dbraw/zinc/32/47/57/251324757.db2.gz DCOGPHCRLBRSHJ-MRXNPFEDSA-N 2 1 338.496 1.319 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000418444762 251372557 /nfs/dbraw/zinc/37/25/57/251372557.db2.gz WVNYLNLOVSEKMW-OAHLLOKOSA-N 2 1 334.464 1.869 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418199046 251354908 /nfs/dbraw/zinc/35/49/08/251354908.db2.gz IKRPQQZRRHTESM-OAHLLOKOSA-N 2 1 328.501 1.422 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC000418201979 251356682 /nfs/dbraw/zinc/35/66/82/251356682.db2.gz SWZDWAREZSLDBB-OAHLLOKOSA-N 2 1 331.464 1.741 20 0 EDADMP C[C@H]1C[NH+](CC2CCN(C(=O)NCC(F)(F)C[NH3+])CC2)C[C@H](C)O1 ZINC000418525641 251374964 /nfs/dbraw/zinc/37/49/64/251374964.db2.gz PLUHLCFRBUAXOS-STQMWFEESA-N 2 1 348.438 1.111 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)CCCC[NH3+] ZINC000418705295 251390019 /nfs/dbraw/zinc/39/00/19/251390019.db2.gz RZKXRDUVFIPOKW-ZBFHGGJFSA-N 2 1 334.464 1.869 20 0 EDADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000418678180 251383915 /nfs/dbraw/zinc/38/39/15/251383915.db2.gz VLNHMCJVHJHONF-CAPWYDJASA-N 2 1 349.523 1.018 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000262637237 139292008 /nfs/dbraw/zinc/29/20/08/139292008.db2.gz IEXCHKJGONNMPV-BRWVUGGUSA-N 2 1 330.476 1.441 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000262712828 139298226 /nfs/dbraw/zinc/29/82/26/139298226.db2.gz SDJADTANPALTIW-LJQANCHMSA-N 2 1 332.492 1.568 20 0 EDADMP C[C@@H](NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422879422 252009997 /nfs/dbraw/zinc/00/99/97/252009997.db2.gz KKKMOKZYCUYYMT-CRAIPNDOSA-N 2 1 330.476 1.304 20 0 EDADMP CC(=O)N1CCN(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422856182 252002651 /nfs/dbraw/zinc/00/26/51/252002651.db2.gz FSIPMWOSMWZMHM-OALUTQOASA-N 2 1 330.476 1.233 20 0 EDADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000423175683 252041866 /nfs/dbraw/zinc/04/18/66/252041866.db2.gz ARFRQFJGXPDLAM-IBGZPJMESA-N 2 1 344.547 1.967 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000423346876 252048187 /nfs/dbraw/zinc/04/81/87/252048187.db2.gz ZEUKANSJRRSYHS-YOEHRIQHSA-N 2 1 347.459 1.568 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423353973 252050470 /nfs/dbraw/zinc/05/04/70/252050470.db2.gz CIRPNJIHFFBKRQ-ZNMIVQPWSA-N 2 1 336.484 1.113 20 0 EDADMP COC(=O)c1coc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000423511322 252057339 /nfs/dbraw/zinc/05/73/39/252057339.db2.gz OQIIZCZXPKJVHF-IUDNXUCKSA-N 2 1 335.448 1.933 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCCO1 ZINC000424023979 252118212 /nfs/dbraw/zinc/11/82/12/252118212.db2.gz QJTBSOHOGAKTDJ-SJLPKXTDSA-N 2 1 349.450 1.614 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000423798097 252079847 /nfs/dbraw/zinc/07/98/47/252079847.db2.gz OASFSJBOGGHLRI-IKGGRYGDSA-N 2 1 337.508 1.724 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000423798099 252079877 /nfs/dbraw/zinc/07/98/77/252079877.db2.gz OASFSJBOGGHLRI-ULQDDVLXSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000424134388 252135269 /nfs/dbraw/zinc/13/52/69/252135269.db2.gz NMPWQQQBIBLSEI-ZFWWWQNUSA-N 2 1 344.463 1.458 20 0 EDADMP COCc1cccc(CNC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424288511 252189910 /nfs/dbraw/zinc/18/99/10/252189910.db2.gz KKEHJOIKBIYOET-INIZCTEOSA-N 2 1 345.487 1.913 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424293628 252192806 /nfs/dbraw/zinc/19/28/06/252192806.db2.gz PHHXVONIWHKXBA-CQSZACIVSA-N 2 1 345.443 1.876 20 0 EDADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424476979 252246353 /nfs/dbraw/zinc/24/63/53/252246353.db2.gz KUFIEGNUNJRTNR-GDAAHCPNSA-N 2 1 342.487 1.900 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000157480563 285027548 /nfs/dbraw/zinc/02/75/48/285027548.db2.gz FYZZUMUEIYMVKS-IAGOWNOFSA-N 2 1 341.496 1.007 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000112436355 220326622 /nfs/dbraw/zinc/32/66/22/220326622.db2.gz OOCYKADFMHCBSF-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000112436355 220326624 /nfs/dbraw/zinc/32/66/24/220326624.db2.gz OOCYKADFMHCBSF-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP CCN1CCN(c2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cn2)CC1 ZINC000570103228 306530516 /nfs/dbraw/zinc/53/05/16/306530516.db2.gz SHBJFXIJTHFRHC-UHFFFAOYSA-N 2 1 331.508 1.831 20 0 EDADMP C[C@@H](O)CCC[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000450809150 254692166 /nfs/dbraw/zinc/69/21/66/254692166.db2.gz JQANJQPMNDQEOU-ILXRZTDVSA-N 2 1 339.459 1.552 20 0 EDADMP C[C@@H](O)CCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000450809150 254692167 /nfs/dbraw/zinc/69/21/67/254692167.db2.gz JQANJQPMNDQEOU-ILXRZTDVSA-N 2 1 339.459 1.552 20 0 EDADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000471834885 255015897 /nfs/dbraw/zinc/01/58/97/255015897.db2.gz PLCFMPDWFWYMFN-RBUKOAKNSA-N 2 1 345.487 1.517 20 0 EDADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC(=O)N1CCOCC1 ZINC000471834885 255015899 /nfs/dbraw/zinc/01/58/99/255015899.db2.gz PLCFMPDWFWYMFN-RBUKOAKNSA-N 2 1 345.487 1.517 20 0 EDADMP CS(=O)(=O)NCC[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471836613 255015961 /nfs/dbraw/zinc/01/59/61/255015961.db2.gz JEUGOODMNNBGFK-SJORKVTESA-N 2 1 339.505 1.208 20 0 EDADMP CS(=O)(=O)NCC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471836613 255015962 /nfs/dbraw/zinc/01/59/62/255015962.db2.gz JEUGOODMNNBGFK-SJORKVTESA-N 2 1 339.505 1.208 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccnc(C)n1 ZINC000339655135 285243713 /nfs/dbraw/zinc/24/37/13/285243713.db2.gz IVXZIBAANHAYOI-GOSISDBHSA-N 2 1 347.507 1.592 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000154432929 224252327 /nfs/dbraw/zinc/25/23/27/224252327.db2.gz MRUXGJOZTKQDLC-QBPKDAKJSA-N 2 1 327.538 1.513 20 0 EDADMP C[C@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000492607694 255182789 /nfs/dbraw/zinc/18/27/89/255182789.db2.gz IIBJNPSWGPYSJW-OAHLLOKOSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])cc2)CC1 ZINC000493881186 255224841 /nfs/dbraw/zinc/22/48/41/255224841.db2.gz CUQPHKWPZXOQED-LSDHHAIUSA-N 2 1 346.475 1.315 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000341160794 285257393 /nfs/dbraw/zinc/25/73/93/285257393.db2.gz VAEGQJCLRRJHIM-GOSISDBHSA-N 2 1 344.503 1.869 20 0 EDADMP CN(C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)C1CC([NH3+])C1 ZINC000415789985 304271598 /nfs/dbraw/zinc/27/15/98/304271598.db2.gz OKZAAQIVCXWLAQ-UHFFFAOYSA-N 2 1 344.459 1.210 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000246407102 285260459 /nfs/dbraw/zinc/26/04/59/285260459.db2.gz KLUVTOBFBARFOT-MOPGFXCFSA-N 2 1 344.503 1.576 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000246407102 285260460 /nfs/dbraw/zinc/26/04/60/285260460.db2.gz KLUVTOBFBARFOT-MOPGFXCFSA-N 2 1 344.503 1.576 20 0 EDADMP CO[C@@H]1CC[N@@H+](CCn2ccnc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495108298 255269005 /nfs/dbraw/zinc/26/90/05/255269005.db2.gz YZLLHUAHXACALZ-HUUCEWRRSA-N 2 1 338.452 1.887 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415799234 304273808 /nfs/dbraw/zinc/27/38/08/304273808.db2.gz DAUNGVYRQNVBOK-RBSFLKMASA-N 2 1 346.475 1.709 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2nccn21 ZINC000353731626 285279399 /nfs/dbraw/zinc/27/93/99/285279399.db2.gz XYAIBDIJPBPDOQ-IRXDYDNUSA-N 2 1 347.507 1.635 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000353731626 285279402 /nfs/dbraw/zinc/27/94/02/285279402.db2.gz XYAIBDIJPBPDOQ-IRXDYDNUSA-N 3 1 347.507 1.635 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000353731626 285279406 /nfs/dbraw/zinc/27/94/06/285279406.db2.gz XYAIBDIJPBPDOQ-IRXDYDNUSA-N 3 1 347.507 1.635 20 0 EDADMP C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@H]1CCC[NH+](C)C1 ZINC000118842316 221194464 /nfs/dbraw/zinc/19/44/64/221194464.db2.gz PUMJWDQVVILICX-HNNXBMFYSA-N 2 1 329.444 1.946 20 0 EDADMP C[NH+](CCCN1C(=O)c2ccccc2C1=O)C[C@H]1CCC[N@H+](C)C1 ZINC000118842316 221194465 /nfs/dbraw/zinc/19/44/65/221194465.db2.gz PUMJWDQVVILICX-HNNXBMFYSA-N 2 1 329.444 1.946 20 0 EDADMP C[NH+](CCCN1C(=O)c2ccccc2C1=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842316 221194468 /nfs/dbraw/zinc/19/44/68/221194468.db2.gz PUMJWDQVVILICX-HNNXBMFYSA-N 2 1 329.444 1.946 20 0 EDADMP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cnccn1 ZINC000159342759 533395217 /nfs/dbraw/zinc/39/52/17/533395217.db2.gz BZUPNPCJNRPNTB-QGZVFWFLSA-N 2 1 325.460 1.945 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000271141276 140244661 /nfs/dbraw/zinc/24/46/61/140244661.db2.gz VIFTZYLMCYOKFC-YJBOKZPZSA-N 2 1 348.491 1.113 20 0 EDADMP C[NH+](C)C1CCC(NC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000333254824 141288172 /nfs/dbraw/zinc/28/81/72/141288172.db2.gz HPKKAPILWHCEOI-OFLPRAFFSA-N 2 1 331.464 1.610 20 0 EDADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000333303236 141295705 /nfs/dbraw/zinc/29/57/05/141295705.db2.gz QJTLDRLDXMOQMW-XHSDSOJGSA-N 2 1 327.538 1.690 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@H]1[NH+]1CCOCC1 ZINC000333318351 141298430 /nfs/dbraw/zinc/29/84/30/141298430.db2.gz MQADXPRFUJRADN-RDTXWAMCSA-N 2 1 344.459 1.864 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000333553161 141335670 /nfs/dbraw/zinc/33/56/70/141335670.db2.gz MWBHFKLGGUZQMU-NVXWUHKLSA-N 2 1 331.464 1.850 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000333553161 141335671 /nfs/dbraw/zinc/33/56/71/141335671.db2.gz MWBHFKLGGUZQMU-NVXWUHKLSA-N 2 1 331.464 1.850 20 0 EDADMP Cc1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cn2ccnc12 ZINC000333592934 141341821 /nfs/dbraw/zinc/34/18/21/141341821.db2.gz BSHFVBAEVGYXIX-CQSZACIVSA-N 2 1 345.447 1.952 20 0 EDADMP Cc1cc(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cn2ccnc12 ZINC000333592934 141341822 /nfs/dbraw/zinc/34/18/22/141341822.db2.gz BSHFVBAEVGYXIX-CQSZACIVSA-N 2 1 345.447 1.952 20 0 EDADMP O[C@@H](CNCc1cccc2nccn21)C[N@@H+]1CCc2ccccc2C1 ZINC000339546446 142073148 /nfs/dbraw/zinc/07/31/48/142073148.db2.gz TZXRRZLRXJOVJD-IBGZPJMESA-N 2 1 336.439 1.843 20 0 EDADMP O[C@@H](CNCc1cccc2nccn21)C[N@H+]1CCc2ccccc2C1 ZINC000339546446 142073149 /nfs/dbraw/zinc/07/31/49/142073149.db2.gz TZXRRZLRXJOVJD-IBGZPJMESA-N 2 1 336.439 1.843 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340186590 142295856 /nfs/dbraw/zinc/29/58/56/142295856.db2.gz KBISTJWCFQHNFN-VKJFTORMSA-N 2 1 349.500 1.928 20 0 EDADMP C[C@]1(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CC[NH2+]C1 ZINC000340701143 142461812 /nfs/dbraw/zinc/46/18/12/142461812.db2.gz JYCYNKMVYRMULJ-MJGOQNOKSA-N 2 1 333.476 1.044 20 0 EDADMP COC(C)(C)CC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000346235571 143181861 /nfs/dbraw/zinc/18/18/61/143181861.db2.gz GJFJTSHDIHEBSM-KRWDZBQOSA-N 2 1 327.513 1.528 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)nc1 ZINC000346338573 143193501 /nfs/dbraw/zinc/19/35/01/143193501.db2.gz VDFIJUKTFAXXNX-RDJZCZTQSA-N 2 1 344.459 1.663 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)nc1 ZINC000346338573 143193502 /nfs/dbraw/zinc/19/35/02/143193502.db2.gz VDFIJUKTFAXXNX-RDJZCZTQSA-N 2 1 344.459 1.663 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000346443529 143205265 /nfs/dbraw/zinc/20/52/65/143205265.db2.gz AJUNEJNYQZNHTE-JENIJYKNSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000346443529 143205266 /nfs/dbraw/zinc/20/52/66/143205266.db2.gz AJUNEJNYQZNHTE-JENIJYKNSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000346533930 143214303 /nfs/dbraw/zinc/21/43/03/143214303.db2.gz USSHBWDNTGMGQZ-HDEZJCGLSA-N 2 1 331.464 1.958 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000347019767 143272207 /nfs/dbraw/zinc/27/22/07/143272207.db2.gz SJDQLWWEDHSQFI-QGZVFWFLSA-N 2 1 340.512 1.663 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000347034271 143274425 /nfs/dbraw/zinc/27/44/25/143274425.db2.gz CMQAEXSJBLSWTQ-QRQLOZEOSA-N 2 1 332.492 1.338 20 0 EDADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000347034271 143274426 /nfs/dbraw/zinc/27/44/26/143274426.db2.gz CMQAEXSJBLSWTQ-QRQLOZEOSA-N 2 1 332.492 1.338 20 0 EDADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347065377 143278158 /nfs/dbraw/zinc/27/81/58/143278158.db2.gz KTAFUHXHYZYZOF-MRXNPFEDSA-N 2 1 341.459 1.468 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc2cccnc12 ZINC000347075559 143279642 /nfs/dbraw/zinc/27/96/42/143279642.db2.gz UKRNGHNNZBPEBF-KRWDZBQOSA-N 2 1 326.444 1.830 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000347110489 143283728 /nfs/dbraw/zinc/28/37/28/143283728.db2.gz PKVOGGCVFQRLLW-OAHLLOKOSA-N 2 1 327.432 1.364 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000347110489 143283729 /nfs/dbraw/zinc/28/37/29/143283729.db2.gz PKVOGGCVFQRLLW-OAHLLOKOSA-N 2 1 327.432 1.364 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000347110489 143283730 /nfs/dbraw/zinc/28/37/30/143283730.db2.gz PKVOGGCVFQRLLW-OAHLLOKOSA-N 2 1 327.432 1.364 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@H]3CCCCO3)CC2)CC1 ZINC000347465303 143324915 /nfs/dbraw/zinc/32/49/15/143324915.db2.gz NUJPIARUGHMBGW-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP C[N@@H+](CC(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1)[C@H]1CCSC1 ZINC000347515279 143331130 /nfs/dbraw/zinc/33/11/30/143331130.db2.gz NIEXVKAXLSFOFY-JKSUJKDBSA-N 2 1 341.521 1.137 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)CC2)CCO1 ZINC000347562712 143335337 /nfs/dbraw/zinc/33/53/37/143335337.db2.gz UKLKTXFOPRTAMQ-CQSZACIVSA-N 2 1 329.444 1.615 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1cc(N2CCOCC2)ncn1 ZINC000369684774 155135602 /nfs/dbraw/zinc/13/56/02/155135602.db2.gz XIAYZOPWNUTUIE-OAHLLOKOSA-N 2 1 347.463 1.003 20 0 EDADMP O=C(COC1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000573094890 306611705 /nfs/dbraw/zinc/61/17/05/306611705.db2.gz OQXKLKGVKYZJPT-MRXNPFEDSA-N 2 1 337.851 1.582 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)C1 ZINC000416863888 304353314 /nfs/dbraw/zinc/35/33/14/304353314.db2.gz HJDRWZBWUJZZLA-GOEBONIOSA-N 2 1 326.485 1.112 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NCC[N@@H+](C)C3CC3)CC2)c1 ZINC000352743544 149145643 /nfs/dbraw/zinc/14/56/43/149145643.db2.gz IULJCAQYNISMGI-UHFFFAOYSA-N 2 1 330.476 1.916 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NCC[N@H+](C)C3CC3)CC2)c1 ZINC000352743544 149145645 /nfs/dbraw/zinc/14/56/45/149145645.db2.gz IULJCAQYNISMGI-UHFFFAOYSA-N 2 1 330.476 1.916 20 0 EDADMP C[C@H](CCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CCCCC1 ZINC000355085968 150109191 /nfs/dbraw/zinc/10/91/91/150109191.db2.gz WWQOARREIZHWOM-ZACQAIPSSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000416986448 304361778 /nfs/dbraw/zinc/36/17/78/304361778.db2.gz ZJXWCBCIIUPJLA-OAHLLOKOSA-N 2 1 347.507 1.532 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@H]2C1 ZINC000355371671 150239380 /nfs/dbraw/zinc/23/93/80/150239380.db2.gz RGCFBUMTNJOLAJ-OKZBNKHCSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417028773 304362176 /nfs/dbraw/zinc/36/21/76/304362176.db2.gz BUBYRXMEVSYJKC-HOTGVXAUSA-N 2 1 326.485 1.400 20 0 EDADMP C[NH+]1CCC(C)(CNC(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)CC1 ZINC000369989302 155268341 /nfs/dbraw/zinc/26/83/41/155268341.db2.gz YLJQOWLSKGLLPZ-HOTGVXAUSA-N 2 1 338.496 1.271 20 0 EDADMP C[NH+]1CCC(C)(CNC(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)CC1 ZINC000369989302 155268343 /nfs/dbraw/zinc/26/83/43/155268343.db2.gz YLJQOWLSKGLLPZ-HOTGVXAUSA-N 2 1 338.496 1.271 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000355587539 150326424 /nfs/dbraw/zinc/32/64/24/150326424.db2.gz ATHBPNXQVOOASH-GUDVDZBRSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000355587539 150326425 /nfs/dbraw/zinc/32/64/25/150326425.db2.gz ATHBPNXQVOOASH-GUDVDZBRSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355587539 150326428 /nfs/dbraw/zinc/32/64/28/150326428.db2.gz ATHBPNXQVOOASH-GUDVDZBRSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355587539 150326433 /nfs/dbraw/zinc/32/64/33/150326433.db2.gz ATHBPNXQVOOASH-GUDVDZBRSA-N 2 1 343.471 1.630 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417042267 304365258 /nfs/dbraw/zinc/36/52/58/304365258.db2.gz NGEFLRJBMREPOE-JFIYKMOQSA-N 2 1 345.491 1.328 20 0 EDADMP C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000358072070 151258635 /nfs/dbraw/zinc/25/86/35/151258635.db2.gz BIRRUORHOFKRJG-OAHLLOKOSA-N 2 1 338.496 1.389 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)N(CC)CC)[C@H](C)C1 ZINC000358104754 151272450 /nfs/dbraw/zinc/27/24/50/151272450.db2.gz YQJYIOGRWMJXCO-IKGGRYGDSA-N 2 1 327.513 1.970 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)N(CC)CC)[C@H](C)C1 ZINC000358104754 151272452 /nfs/dbraw/zinc/27/24/52/151272452.db2.gz YQJYIOGRWMJXCO-IKGGRYGDSA-N 2 1 327.513 1.970 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000358145689 151287915 /nfs/dbraw/zinc/28/79/15/151287915.db2.gz WISZEUHKLLINLL-OAHLLOKOSA-N 2 1 326.485 1.221 20 0 EDADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NCCOc1ccc(F)cc1 ZINC000358507054 151398388 /nfs/dbraw/zinc/39/83/88/151398388.db2.gz MSDPKAHQWXNAAD-UHFFFAOYSA-N 2 1 335.423 1.396 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000360803039 152211752 /nfs/dbraw/zinc/21/17/52/152211752.db2.gz UKUXZCKOMFAEKE-JYJNAYRXSA-N 2 1 328.501 1.203 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000360803039 152211754 /nfs/dbraw/zinc/21/17/54/152211754.db2.gz UKUXZCKOMFAEKE-JYJNAYRXSA-N 2 1 328.501 1.203 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000360803039 152211756 /nfs/dbraw/zinc/21/17/56/152211756.db2.gz UKUXZCKOMFAEKE-JYJNAYRXSA-N 2 1 328.501 1.203 20 0 EDADMP CN(C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C1C[NH2+]C1 ZINC000417146034 304377665 /nfs/dbraw/zinc/37/76/65/304377665.db2.gz KLSLLOCFMUYZCK-UHFFFAOYSA-N 2 1 338.402 1.542 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000342135099 286310399 /nfs/dbraw/zinc/31/03/99/286310399.db2.gz GSMHFTADGDNWMV-JYJNAYRXSA-N 2 1 347.459 1.379 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000342135099 286310401 /nfs/dbraw/zinc/31/04/01/286310401.db2.gz GSMHFTADGDNWMV-JYJNAYRXSA-N 2 1 347.459 1.379 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)CC1 ZINC000361180769 152327570 /nfs/dbraw/zinc/32/75/70/152327570.db2.gz XRXQENINBLTQNT-DLBZAZTESA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)CC1 ZINC000361180769 152327572 /nfs/dbraw/zinc/32/75/72/152327572.db2.gz XRXQENINBLTQNT-DLBZAZTESA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCOCC1 ZINC000370143657 155346795 /nfs/dbraw/zinc/34/67/95/155346795.db2.gz XFBMHOGXLFKBAC-NVXWUHKLSA-N 2 1 335.492 1.573 20 0 EDADMP CN(CC[N@H+]1CCCOCC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000361381497 152377707 /nfs/dbraw/zinc/37/77/07/152377707.db2.gz OAZXQUBBZMPJJR-OALUTQOASA-N 2 1 332.492 1.729 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000361381497 152377710 /nfs/dbraw/zinc/37/77/10/152377710.db2.gz OAZXQUBBZMPJJR-OALUTQOASA-N 2 1 332.492 1.729 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000361381497 152377711 /nfs/dbraw/zinc/37/77/11/152377711.db2.gz OAZXQUBBZMPJJR-OALUTQOASA-N 2 1 332.492 1.729 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccc3C(N)=O)C2)CC[N@@H+]1C ZINC000363788070 153057239 /nfs/dbraw/zinc/05/72/39/153057239.db2.gz VYCJRZDQNNTRJQ-PMPSAXMXSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccc3C(N)=O)C2)CC[N@H+]1C ZINC000363788070 153057241 /nfs/dbraw/zinc/05/72/41/153057241.db2.gz VYCJRZDQNNTRJQ-PMPSAXMXSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000363798221 153059526 /nfs/dbraw/zinc/05/95/26/153059526.db2.gz BHNCXEQTUJUZBX-AYOQOUSVSA-N 2 1 327.472 1.965 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC(C)(C)O)CC1 ZINC000364163561 153160315 /nfs/dbraw/zinc/16/03/15/153160315.db2.gz ZXQGTNPIXDXAQX-INIZCTEOSA-N 2 1 325.497 1.555 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364163561 153160317 /nfs/dbraw/zinc/16/03/17/153160317.db2.gz ZXQGTNPIXDXAQX-INIZCTEOSA-N 2 1 325.497 1.555 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000364163561 153160320 /nfs/dbraw/zinc/16/03/20/153160320.db2.gz ZXQGTNPIXDXAQX-INIZCTEOSA-N 2 1 325.497 1.555 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@@H](CO)c2ccccc21 ZINC000364279148 153195058 /nfs/dbraw/zinc/19/50/58/153195058.db2.gz GFODYZMCKIQBHX-WMLDXEAASA-N 2 1 332.448 1.044 20 0 EDADMP CCSCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367108305 154010694 /nfs/dbraw/zinc/01/06/94/154010694.db2.gz UAGIJFCVXLTYMT-MRXNPFEDSA-N 2 1 342.553 1.940 20 0 EDADMP C[C@@H](C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1)CS(C)(=O)=O ZINC000367209506 154041416 /nfs/dbraw/zinc/04/14/16/154041416.db2.gz RDRFWIOQCPFAQI-GJZGRUSLSA-N 2 1 328.522 1.863 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCCOC(=O)NC(N)=O)C2)c1 ZINC000367558114 154175113 /nfs/dbraw/zinc/17/51/13/154175113.db2.gz XGVINPQGQJEIDF-ZDUSSCGKSA-N 2 1 335.408 1.319 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCCOC(=O)NC(N)=O)C2)c1 ZINC000367558114 154175119 /nfs/dbraw/zinc/17/51/19/154175119.db2.gz XGVINPQGQJEIDF-ZDUSSCGKSA-N 2 1 335.408 1.319 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000367590630 154189351 /nfs/dbraw/zinc/18/93/51/154189351.db2.gz SSKKRDUBUFKBAX-ZWKOTPCHSA-N 2 1 330.476 1.984 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000369567589 155088974 /nfs/dbraw/zinc/08/89/74/155088974.db2.gz UBRGRMDUIOFLKB-OAGGEKHMSA-N 2 1 331.464 1.506 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000245661894 292337257 /nfs/dbraw/zinc/33/72/57/292337257.db2.gz QAGLSVWFEFVMTF-QZTJIDSGSA-N 2 1 348.491 1.699 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245661894 292337259 /nfs/dbraw/zinc/33/72/59/292337259.db2.gz QAGLSVWFEFVMTF-QZTJIDSGSA-N 2 1 348.491 1.699 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000245661894 292337261 /nfs/dbraw/zinc/33/72/61/292337261.db2.gz QAGLSVWFEFVMTF-QZTJIDSGSA-N 2 1 348.491 1.699 20 0 EDADMP Cc1nc(CN2CCC[C@@H]([N@@H+](C)CCCn3ccnc3C)C2)no1 ZINC000372254722 156288897 /nfs/dbraw/zinc/28/88/97/156288897.db2.gz HVSWFVBQPDMRRU-MRXNPFEDSA-N 2 1 332.452 1.869 20 0 EDADMP Cc1nc(CN2CCC[C@@H]([N@H+](C)CCCn3cc[nH+]c3C)C2)no1 ZINC000372254722 156288899 /nfs/dbraw/zinc/28/88/99/156288899.db2.gz HVSWFVBQPDMRRU-MRXNPFEDSA-N 2 1 332.452 1.869 20 0 EDADMP Cc1nc(CN2CCC[C@@H]([N@@H+](C)CCCn3cc[nH+]c3C)C2)no1 ZINC000372254722 156288904 /nfs/dbraw/zinc/28/89/04/156288904.db2.gz HVSWFVBQPDMRRU-MRXNPFEDSA-N 2 1 332.452 1.869 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000369660637 292351771 /nfs/dbraw/zinc/35/17/71/292351771.db2.gz KRXKELLLRGTWFE-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(N3CCOCC3)s2)C1 ZINC000377835749 158006216 /nfs/dbraw/zinc/00/62/16/158006216.db2.gz WECCTKKFHCISRF-HOCLYGCPSA-N 2 1 336.505 1.896 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(N3CCOCC3)s2)C1 ZINC000377835749 158006218 /nfs/dbraw/zinc/00/62/18/158006218.db2.gz WECCTKKFHCISRF-HOCLYGCPSA-N 2 1 336.505 1.896 20 0 EDADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnc(N3CCOCC3)s2)C1 ZINC000377835749 158006219 /nfs/dbraw/zinc/00/62/19/158006219.db2.gz WECCTKKFHCISRF-HOCLYGCPSA-N 2 1 336.505 1.896 20 0 EDADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnc(N3CCOCC3)s2)C1 ZINC000377835749 158006220 /nfs/dbraw/zinc/00/62/20/158006220.db2.gz WECCTKKFHCISRF-HOCLYGCPSA-N 2 1 336.505 1.896 20 0 EDADMP CC1(C)CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000377945915 158036013 /nfs/dbraw/zinc/03/60/13/158036013.db2.gz AYMYRZSCKBKXAL-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP CC1(C)CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000377945915 158036016 /nfs/dbraw/zinc/03/60/16/158036016.db2.gz AYMYRZSCKBKXAL-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000352214461 162054451 /nfs/dbraw/zinc/05/44/51/162054451.db2.gz PVMQZEIRDHMOPP-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000352321784 162115528 /nfs/dbraw/zinc/11/55/28/162115528.db2.gz BTYNJIJSBWRDEL-MRXNPFEDSA-N 2 1 327.494 1.551 20 0 EDADMP C[NH+](C)CC1(CNC(=O)NCC[NH+]2CCSCC2)CCCC1 ZINC000352520932 162228033 /nfs/dbraw/zinc/22/80/33/162228033.db2.gz DFMQFXNKTJCRSU-UHFFFAOYSA-N 2 1 328.526 1.456 20 0 EDADMP COc1cccc(OC)c1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364229566 162321556 /nfs/dbraw/zinc/32/15/56/162321556.db2.gz HOYNFEVLVOFOBE-CQSZACIVSA-N 2 1 347.459 1.602 20 0 EDADMP COc1cccc(OC)c1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364229566 162321562 /nfs/dbraw/zinc/32/15/62/162321562.db2.gz HOYNFEVLVOFOBE-CQSZACIVSA-N 2 1 347.459 1.602 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261863995 287272680 /nfs/dbraw/zinc/27/26/80/287272680.db2.gz SLNWKBNDMVPMAG-SOLBZPMBSA-N 2 1 337.508 1.853 20 0 EDADMP C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274865517 268226320 /nfs/dbraw/zinc/22/63/20/268226320.db2.gz DSWJTIIUNIWYCU-WMZOPIPTSA-N 2 1 345.487 1.769 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000275494750 268351149 /nfs/dbraw/zinc/35/11/49/268351149.db2.gz QCFCIAVAHVJBBV-UHFFFAOYSA-N 2 1 342.447 1.859 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275842737 268377557 /nfs/dbraw/zinc/37/75/57/268377557.db2.gz HFLWVQJFXSNPRU-GOEBONIOSA-N 2 1 325.478 1.036 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000276981817 273174066 /nfs/dbraw/zinc/17/40/66/273174066.db2.gz GUXPEHCMEXLTHP-WOJBJXKFSA-N 2 1 347.503 1.588 20 0 EDADMP COCC[NH+]1CC[C@@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000276981817 273174069 /nfs/dbraw/zinc/17/40/69/273174069.db2.gz GUXPEHCMEXLTHP-WOJBJXKFSA-N 2 1 347.503 1.588 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000277284886 273187270 /nfs/dbraw/zinc/18/72/70/273187270.db2.gz IPPWAYSOROUNEI-RTBURBONSA-N 2 1 347.503 1.980 20 0 EDADMP C[NH+](C)C/C=C/C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277355300 273191850 /nfs/dbraw/zinc/19/18/50/273191850.db2.gz OGVOLSQCAXMHTP-NADMHLTPSA-N 2 1 333.501 1.838 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1cnccn1 ZINC000279667788 273315865 /nfs/dbraw/zinc/31/58/65/273315865.db2.gz HGAOTIOTHOPYRL-QGZVFWFLSA-N 2 1 333.480 1.284 20 0 EDADMP CC[N@H+](CCNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C1CC1 ZINC000101978602 276127316 /nfs/dbraw/zinc/12/73/16/276127316.db2.gz SIPZQGJCQIKXCE-MRXNPFEDSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C1CC1 ZINC000101978602 276127317 /nfs/dbraw/zinc/12/73/17/276127317.db2.gz SIPZQGJCQIKXCE-MRXNPFEDSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363662281 276154609 /nfs/dbraw/zinc/15/46/09/276154609.db2.gz MWEZJSKUPGGXPI-XMTFNYHQSA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363662281 276154610 /nfs/dbraw/zinc/15/46/10/276154610.db2.gz MWEZJSKUPGGXPI-XMTFNYHQSA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363662281 276154612 /nfs/dbraw/zinc/15/46/12/276154612.db2.gz MWEZJSKUPGGXPI-XMTFNYHQSA-N 2 1 337.508 1.866 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)C[C@H]1C ZINC000359919547 276231919 /nfs/dbraw/zinc/23/19/19/276231919.db2.gz VEHQUXKYWXRCGW-ARFHVFGLSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000359919547 276231921 /nfs/dbraw/zinc/23/19/21/276231921.db2.gz VEHQUXKYWXRCGW-ARFHVFGLSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000359919547 276231922 /nfs/dbraw/zinc/23/19/22/276231922.db2.gz VEHQUXKYWXRCGW-ARFHVFGLSA-N 2 1 328.501 1.203 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCOCC3)[C@@H]2C)CC1 ZINC000357608223 276257699 /nfs/dbraw/zinc/25/76/99/276257699.db2.gz LZYJDEZHXBZGEK-RDJZCZTQSA-N 2 1 338.496 1.365 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C12CCC2 ZINC000371513595 276475486 /nfs/dbraw/zinc/47/54/86/276475486.db2.gz GKEGVIJVPBAPRS-RCCFBDPRSA-N 2 1 337.508 1.330 20 0 EDADMP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ncn1 ZINC000375804401 277043084 /nfs/dbraw/zinc/04/30/84/277043084.db2.gz HZCJTQPRQACQRE-VQHPVUNQSA-N 2 1 344.507 1.950 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H]1c1ccc(F)cc1 ZINC000364099820 277137789 /nfs/dbraw/zinc/13/77/89/277137789.db2.gz ITOUCZFPMBBXNW-NVXWUHKLSA-N 2 1 343.406 1.370 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H]1c1ccc(F)cc1 ZINC000364099820 277137790 /nfs/dbraw/zinc/13/77/90/277137790.db2.gz ITOUCZFPMBBXNW-NVXWUHKLSA-N 2 1 343.406 1.370 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000347042419 277226583 /nfs/dbraw/zinc/22/65/83/277226583.db2.gz KQZKTZWOQXPQIM-ZACQAIPSSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)(CNC(=O)NC[C@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000417090450 277300980 /nfs/dbraw/zinc/30/09/80/277300980.db2.gz WLDGCIBCYNETNK-HNNXBMFYSA-N 2 1 330.476 1.732 20 0 EDADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000348011582 277310489 /nfs/dbraw/zinc/31/04/89/277310489.db2.gz RVDDGZDNEOIOCX-BZUAXINKSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358555133 278100146 /nfs/dbraw/zinc/10/01/46/278100146.db2.gz HOVVCNCHZYXIOU-QBPKDAKJSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358555133 278100147 /nfs/dbraw/zinc/10/01/47/278100147.db2.gz HOVVCNCHZYXIOU-QBPKDAKJSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000251547322 278187752 /nfs/dbraw/zinc/18/77/52/278187752.db2.gz GZPJYAYSPAVXMV-ZACQAIPSSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286667222 288057999 /nfs/dbraw/zinc/05/79/99/288057999.db2.gz UYWDPSHCOHZHAY-JCHJZTRSSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)[C@@H]1CCC[C@H]1O ZINC000286667222 288058001 /nfs/dbraw/zinc/05/80/01/288058001.db2.gz UYWDPSHCOHZHAY-JCHJZTRSSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)[C@@H]1CCC[C@H]1O ZINC000286667222 288058002 /nfs/dbraw/zinc/05/80/02/288058002.db2.gz UYWDPSHCOHZHAY-JCHJZTRSSA-N 2 1 345.487 1.611 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000359552047 279142146 /nfs/dbraw/zinc/14/21/46/279142146.db2.gz BTNVVEKRGHDXTC-JKSUJKDBSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000370470571 288115395 /nfs/dbraw/zinc/11/53/95/288115395.db2.gz HOFGSGGWFHTERZ-WBVHZDCISA-N 2 1 334.508 1.146 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000370470571 288115397 /nfs/dbraw/zinc/11/53/97/288115397.db2.gz HOFGSGGWFHTERZ-WBVHZDCISA-N 2 1 334.508 1.146 20 0 EDADMP CC[NH+]1CCC(N2CCCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)CC1 ZINC000422025978 279258610 /nfs/dbraw/zinc/25/86/10/279258610.db2.gz UDDMNLMCLLRNAH-LJQANCHMSA-N 2 1 348.535 1.632 20 0 EDADMP CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000451258194 279357884 /nfs/dbraw/zinc/35/78/84/279357884.db2.gz FEHWFTRKQUXLID-SFHVURJKSA-N 2 1 336.524 1.537 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000287223182 288185028 /nfs/dbraw/zinc/18/50/28/288185028.db2.gz DRYLULYUVCDMLQ-SFHVURJKSA-N 2 1 348.491 1.133 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000287223182 288185033 /nfs/dbraw/zinc/18/50/33/288185033.db2.gz DRYLULYUVCDMLQ-SFHVURJKSA-N 2 1 348.491 1.133 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000287223182 288185035 /nfs/dbraw/zinc/18/50/35/288185035.db2.gz DRYLULYUVCDMLQ-SFHVURJKSA-N 2 1 348.491 1.133 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000287223182 288185037 /nfs/dbraw/zinc/18/50/37/288185037.db2.gz DRYLULYUVCDMLQ-SFHVURJKSA-N 2 1 348.491 1.133 20 0 EDADMP CC[C@@H](C(=O)[O-])[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000262307786 280083494 /nfs/dbraw/zinc/08/34/94/280083494.db2.gz AZPOEMFQRPPSMT-KRWDZBQOSA-N 2 1 325.497 1.978 20 0 EDADMP CC[C@@H](C(=O)[O-])[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000262307786 280083498 /nfs/dbraw/zinc/08/34/98/280083498.db2.gz AZPOEMFQRPPSMT-KRWDZBQOSA-N 2 1 325.497 1.978 20 0 EDADMP CC[C@@H](C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)OC ZINC000419202130 280139700 /nfs/dbraw/zinc/13/97/00/280139700.db2.gz GCHATDOWIOHCED-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000287308510 288206040 /nfs/dbraw/zinc/20/60/40/288206040.db2.gz DWVFOGGAVNOWNJ-RHSMWYFYSA-N 2 1 329.444 1.993 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000349775309 280241950 /nfs/dbraw/zinc/24/19/50/280241950.db2.gz ITTWBRMJPFWJOY-SJORKVTESA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000349775309 280241952 /nfs/dbraw/zinc/24/19/52/280241952.db2.gz ITTWBRMJPFWJOY-SJORKVTESA-N 2 1 338.496 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1[NH+]1CCOCC1 ZINC000418712297 280356030 /nfs/dbraw/zinc/35/60/30/280356030.db2.gz GMDVHZJYVBEBPS-QBPKDAKJSA-N 2 1 338.496 1.256 20 0 EDADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000333858942 288327296 /nfs/dbraw/zinc/32/72/96/288327296.db2.gz YXMAUFGOSPFDIP-QSJFSLAZSA-N 2 1 348.495 1.195 20 0 EDADMP CCC(CC)(C[NH3+])C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000261617171 282070231 /nfs/dbraw/zinc/07/02/31/282070231.db2.gz BKLZHVGUIAJWHH-UHFFFAOYSA-N 2 1 338.540 1.818 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000357729604 289045939 /nfs/dbraw/zinc/04/59/39/289045939.db2.gz MDJBIUNKXTXONL-VQHPVUNQSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000357729604 289045942 /nfs/dbraw/zinc/04/59/42/289045942.db2.gz MDJBIUNKXTXONL-VQHPVUNQSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@H](C[NH2+]Cc1ccccc1OCC(=O)NCC1CC1)C[NH+](C)C ZINC000291632488 289132680 /nfs/dbraw/zinc/13/26/80/289132680.db2.gz AQTCPYPWOLQKNE-OAHLLOKOSA-N 2 1 333.476 1.879 20 0 EDADMP C[C@H](C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000262464731 289286110 /nfs/dbraw/zinc/28/61/10/289286110.db2.gz XPMKHMHERBGXSC-KRWDZBQOSA-N 2 1 344.503 1.118 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCC[N@H+](C)C2CC2)C[C@@H](C)O1 ZINC000369245637 297026058 /nfs/dbraw/zinc/02/60/58/297026058.db2.gz ZIGAMSRKAGGLMJ-BFYDXBDKSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCC[N@@H+](C)C2CC2)C[C@@H](C)O1 ZINC000369245637 297026061 /nfs/dbraw/zinc/02/60/61/297026061.db2.gz ZIGAMSRKAGGLMJ-BFYDXBDKSA-N 2 1 338.496 1.364 20 0 EDADMP NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000120971551 295077229 /nfs/dbraw/zinc/07/72/29/295077229.db2.gz USDMDQSXFBAXDW-OAHLLOKOSA-N 2 1 340.468 1.769 20 0 EDADMP NC(=O)NC(=O)OCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000120971551 295077232 /nfs/dbraw/zinc/07/72/32/295077232.db2.gz USDMDQSXFBAXDW-OAHLLOKOSA-N 2 1 340.468 1.769 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)COC3C[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000423841879 295330050 /nfs/dbraw/zinc/33/00/50/295330050.db2.gz ZYTZWEYKMORIPV-HKUYNNGSSA-N 2 1 345.443 1.078 20 0 EDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000422774769 295338918 /nfs/dbraw/zinc/33/89/18/295338918.db2.gz YJZJFDRWSALETG-DLBZAZTESA-N 2 1 337.489 1.831 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000262028621 295411632 /nfs/dbraw/zinc/41/16/32/295411632.db2.gz SDHZKTXVUHQXEK-HZPDHXFCSA-N 2 1 329.444 1.558 20 0 EDADMP C[C@H]1C[C@H](C[N@H+]2CCc3ccc(S(C)(=O)=O)cc3CC2)CC[NH2+]1 ZINC000414766067 447323891 /nfs/dbraw/zinc/32/38/91/447323891.db2.gz QSQKALSDJKKFDC-LSDHHAIUSA-N 2 1 336.501 1.879 20 0 EDADMP Cn1cncc1[C@@H]1[C@@H]([NH2+]C2CC[NH+](C)CC2)CCC(=O)N1C1CC1 ZINC000344825134 303029714 /nfs/dbraw/zinc/02/97/14/303029714.db2.gz JUTLDYOXRFMBKJ-YJBOKZPZSA-N 2 1 331.464 1.298 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)(C)CO ZINC000295305284 303202481 /nfs/dbraw/zinc/20/24/81/303202481.db2.gz VIBCMBPCTPFAON-UHFFFAOYSA-N 2 1 347.503 1.849 20 0 EDADMP Cc1cc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC000296711307 303332796 /nfs/dbraw/zinc/33/27/96/303332796.db2.gz AZJQFQKQJJZQMC-OAHLLOKOSA-N 2 1 331.420 1.611 20 0 EDADMP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000377753153 447336760 /nfs/dbraw/zinc/33/67/60/447336760.db2.gz ZZWSBUHMUQCUDV-RBUKOAKNSA-N 2 1 327.472 1.967 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1)N1CC[NH+](C)CC1 ZINC000363011414 303833398 /nfs/dbraw/zinc/83/33/98/303833398.db2.gz IWELUMMARPFQQQ-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP C[NH+](C)C[C@@H]1CN(Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000420913951 304783384 /nfs/dbraw/zinc/78/33/84/304783384.db2.gz JJLJHTZDJGKMGQ-LJQANCHMSA-N 2 1 333.476 1.281 20 0 EDADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000428994720 305021937 /nfs/dbraw/zinc/02/19/37/305021937.db2.gz FWUZBQKEILNYOC-MDZRGWNJSA-N 2 1 348.535 1.392 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)CC2)cs1 ZINC000429145373 305024509 /nfs/dbraw/zinc/02/45/09/305024509.db2.gz VTZUPQICKOANOC-LRDDRELGSA-N 2 1 336.505 1.859 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000429673924 305034584 /nfs/dbraw/zinc/03/45/84/305034584.db2.gz BOVYAOBUAPAIMY-RTBURBONSA-N 2 1 338.540 1.199 20 0 EDADMP O=C([C@@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000430637972 305060499 /nfs/dbraw/zinc/06/04/99/305060499.db2.gz DYDHTRRXOJFZKP-MRXNPFEDSA-N 2 1 349.450 1.738 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430647721 305061130 /nfs/dbraw/zinc/06/11/30/305061130.db2.gz QLGFQXIBRVCXIF-IRXDYDNUSA-N 2 1 345.491 1.322 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430647721 305061131 /nfs/dbraw/zinc/06/11/31/305061131.db2.gz QLGFQXIBRVCXIF-IRXDYDNUSA-N 2 1 345.491 1.322 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000430935000 305069232 /nfs/dbraw/zinc/06/92/32/305069232.db2.gz OUBFEJUTZTYQQR-IEBWSBKVSA-N 2 1 344.503 1.308 20 0 EDADMP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000430950789 305070357 /nfs/dbraw/zinc/07/03/57/305070357.db2.gz SLCBHQZXWMRCFI-IRXDYDNUSA-N 2 1 330.476 1.013 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000430953491 305070507 /nfs/dbraw/zinc/07/05/07/305070507.db2.gz UALXWXQGFOYRSL-ZFWWWQNUSA-N 2 1 335.448 1.331 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000430953491 305070508 /nfs/dbraw/zinc/07/05/08/305070508.db2.gz UALXWXQGFOYRSL-ZFWWWQNUSA-N 2 1 335.448 1.331 20 0 EDADMP CCN(C[C@@H]1CCN(Cc2nc(C(C)(C)N)no2)C1)CC(F)(F)F ZINC000431068938 305074194 /nfs/dbraw/zinc/07/41/94/305074194.db2.gz DMTMNAMXJWKZKF-NSHDSACASA-N 2 1 349.401 1.970 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433328577 305105998 /nfs/dbraw/zinc/10/59/98/305105998.db2.gz AMVLZWYMXZTNHB-IRXDYDNUSA-N 2 1 340.512 1.661 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433328577 305105999 /nfs/dbraw/zinc/10/59/99/305105999.db2.gz AMVLZWYMXZTNHB-IRXDYDNUSA-N 2 1 340.512 1.661 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433328577 305106000 /nfs/dbraw/zinc/10/60/00/305106000.db2.gz AMVLZWYMXZTNHB-IRXDYDNUSA-N 2 1 340.512 1.661 20 0 EDADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)o1 ZINC000435375123 305139259 /nfs/dbraw/zinc/13/92/59/305139259.db2.gz ZUJNJCIHXYCYKP-CYBMUJFWSA-N 2 1 331.420 1.265 20 0 EDADMP CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C ZINC000435927066 305149439 /nfs/dbraw/zinc/14/94/39/305149439.db2.gz LGRNMRMHYHWPMS-QGZVFWFLSA-N 2 1 339.505 1.709 20 0 EDADMP CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C ZINC000435927066 305149440 /nfs/dbraw/zinc/14/94/40/305149440.db2.gz LGRNMRMHYHWPMS-QGZVFWFLSA-N 2 1 339.505 1.709 20 0 EDADMP C[C@@H](C(=O)N1CCN(CC[NH+]2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000435944693 305149865 /nfs/dbraw/zinc/14/98/65/305149865.db2.gz SVSGTHUOVHDGQD-KSZLIROESA-N 2 1 336.524 1.488 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCCOCC(F)(F)F ZINC000436056499 305151708 /nfs/dbraw/zinc/15/17/08/305151708.db2.gz ZCCFLBDCZALCNR-GFCCVEGCSA-N 2 1 325.375 1.275 20 0 EDADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000436488729 305158653 /nfs/dbraw/zinc/15/86/53/305158653.db2.gz NOZALSJHDIGQON-GJZGRUSLSA-N 2 1 334.468 1.535 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438560223 305186997 /nfs/dbraw/zinc/18/69/97/305186997.db2.gz FAAMOEXMVVOMTH-GOSISDBHSA-N 2 1 337.508 1.963 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000439484483 305198424 /nfs/dbraw/zinc/19/84/24/305198424.db2.gz FBMWCZMCHPCBPX-HLLBOEOZSA-N 2 1 340.537 1.692 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000440179481 305204397 /nfs/dbraw/zinc/20/43/97/305204397.db2.gz OTDLNGLQIQYMET-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)CC1 ZINC000441023507 305216818 /nfs/dbraw/zinc/21/68/18/305216818.db2.gz BNTMZLRJXNSKKN-DNVCBOLYSA-N 2 1 345.487 1.911 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)CC1 ZINC000441023507 305216819 /nfs/dbraw/zinc/21/68/19/305216819.db2.gz BNTMZLRJXNSKKN-DNVCBOLYSA-N 2 1 345.487 1.911 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000441117312 305217652 /nfs/dbraw/zinc/21/76/52/305217652.db2.gz QUIJFZRONQJRND-CABCVRRESA-N 2 1 346.475 1.628 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000441117312 305217653 /nfs/dbraw/zinc/21/76/53/305217653.db2.gz QUIJFZRONQJRND-CABCVRRESA-N 2 1 346.475 1.628 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2C[C@@H](O)COCc1ccccc1 ZINC000441208944 305218940 /nfs/dbraw/zinc/21/89/40/305218940.db2.gz YRXVCHHJJLVJBH-YSTOQKLRSA-N 2 1 348.487 1.748 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)COCc1ccccc1 ZINC000441268659 305219968 /nfs/dbraw/zinc/21/99/68/305219968.db2.gz YRXVCHHJJLVJBH-FYQPLNBISA-N 2 1 348.487 1.748 20 0 EDADMP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000442306994 305228569 /nfs/dbraw/zinc/22/85/69/305228569.db2.gz POZOUNWFSDQVAO-HUUCEWRRSA-N 2 1 346.475 1.280 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000442306994 305228570 /nfs/dbraw/zinc/22/85/70/305228570.db2.gz POZOUNWFSDQVAO-HUUCEWRRSA-N 2 1 346.475 1.280 20 0 EDADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000446358673 305263672 /nfs/dbraw/zinc/26/36/72/305263672.db2.gz ASVHNJRUGNMYCZ-YZLZLFLDSA-N 2 1 349.519 1.900 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000446372858 305263951 /nfs/dbraw/zinc/26/39/51/305263951.db2.gz YDZYROPEDVKQKL-NTODXPRQSA-N 2 1 337.508 1.898 20 0 EDADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000449263714 305310308 /nfs/dbraw/zinc/31/03/08/305310308.db2.gz JDXFOXITMKZNOJ-RFGFWPKPSA-N 2 1 339.484 1.801 20 0 EDADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](CO)CC(C)(C)C ZINC000449582092 305314657 /nfs/dbraw/zinc/31/46/57/305314657.db2.gz DNVHBPZHQDVQRD-INIZCTEOSA-N 2 1 335.496 1.457 20 0 EDADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](CO)CC(C)(C)C ZINC000449582092 305314658 /nfs/dbraw/zinc/31/46/58/305314658.db2.gz DNVHBPZHQDVQRD-INIZCTEOSA-N 2 1 335.496 1.457 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@@H+]1CCc2ccccc2C1 ZINC000452349965 305391295 /nfs/dbraw/zinc/39/12/95/305391295.db2.gz NQQQACVHXJBHGQ-LPHOPBHVSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@H+]1CCc2ccccc2C1 ZINC000452349965 305391296 /nfs/dbraw/zinc/39/12/96/305391296.db2.gz NQQQACVHXJBHGQ-LPHOPBHVSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+]1CCc2ccccc2C1 ZINC000452349965 305391297 /nfs/dbraw/zinc/39/12/97/305391297.db2.gz NQQQACVHXJBHGQ-LPHOPBHVSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+]1CCc2ccccc2C1 ZINC000452349965 305391298 /nfs/dbraw/zinc/39/12/98/305391298.db2.gz NQQQACVHXJBHGQ-LPHOPBHVSA-N 2 1 345.487 1.396 20 0 EDADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)CCCCC1 ZINC000452376072 305394964 /nfs/dbraw/zinc/39/49/64/305394964.db2.gz YQMNDLZTBVKTOO-INIZCTEOSA-N 2 1 325.497 1.462 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000514783772 305705191 /nfs/dbraw/zinc/70/51/91/305705191.db2.gz ZHRKZSZRNRTFTM-DOTOQJQBSA-N 2 1 331.464 1.612 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000419705470 447361694 /nfs/dbraw/zinc/36/16/94/447361694.db2.gz ZTQVYEMNFREITR-HZPDHXFCSA-N 2 1 340.512 1.103 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@]3(O)CCCC3(C)C)cn2)CC1 ZINC000549860556 306149410 /nfs/dbraw/zinc/14/94/10/306149410.db2.gz HFOVHGGRCRLXKH-GOSISDBHSA-N 2 1 333.480 1.259 20 0 EDADMP CC[C@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)[N@@H+](C)Cc1ccccc1 ZINC000556850962 306220112 /nfs/dbraw/zinc/22/01/12/306220112.db2.gz XFXWJPFQXXMSNM-UYAOXDASSA-N 2 1 345.487 1.470 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[NH+](C)C ZINC000557137496 306224831 /nfs/dbraw/zinc/22/48/31/306224831.db2.gz REBJJXCMYJPLLK-GOEBONIOSA-N 2 1 334.464 1.739 20 0 EDADMP C[NH2+]CCN(C)C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000557167176 306225286 /nfs/dbraw/zinc/22/52/86/306225286.db2.gz KPUZCAWSJRMUEW-NVXWUHKLSA-N 2 1 334.464 1.137 20 0 EDADMP C[NH2+]CCN(C)C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000557167176 306225287 /nfs/dbraw/zinc/22/52/87/306225287.db2.gz KPUZCAWSJRMUEW-NVXWUHKLSA-N 2 1 334.464 1.137 20 0 EDADMP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000557184122 306225714 /nfs/dbraw/zinc/22/57/14/306225714.db2.gz LFPLLDLDNZFEDC-VVLHAWIVSA-N 2 1 336.480 1.166 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)[C@H](C)C1 ZINC000426036825 447382107 /nfs/dbraw/zinc/38/21/07/447382107.db2.gz PRWZCEFYMBLDBU-ZBFHGGJFSA-N 2 1 345.553 1.899 20 0 EDADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414977561 447382280 /nfs/dbraw/zinc/38/22/80/447382280.db2.gz QHPVUMGSZDTKSC-ZFWWWQNUSA-N 2 1 338.883 1.859 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000456379674 447380858 /nfs/dbraw/zinc/38/08/58/447380858.db2.gz MYYBKDOJWLIIMG-QGZVFWFLSA-N 2 1 337.508 1.964 20 0 EDADMP CC(C)c1nc(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)nc(N(C)C)n1 ZINC000378363503 447422397 /nfs/dbraw/zinc/42/23/97/447422397.db2.gz LSKYMICEOCMRNV-CQSZACIVSA-N 2 1 347.511 1.641 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCO[C@@H](CC)C2)[C@H](C)C1 ZINC000494453420 447437093 /nfs/dbraw/zinc/43/70/93/447437093.db2.gz KYGXDTDNUAQACC-QYZOEREBSA-N 2 1 341.540 1.824 20 0 EDADMP C[N@@H+](CCOc1cccc(Br)c1)CCN1CC[NH2+]CC1 ZINC000071150349 441141862 /nfs/dbraw/zinc/14/18/62/441141862.db2.gz DVXBCKPHRHYFPL-UHFFFAOYSA-N 2 1 342.281 1.665 20 0 EDADMP CC(C)[N@H+](C)CC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000060161708 441233946 /nfs/dbraw/zinc/23/39/46/441233946.db2.gz FNCINXJDEHOGKL-OAHLLOKOSA-N 2 1 338.521 1.493 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000060161708 441233950 /nfs/dbraw/zinc/23/39/50/441233950.db2.gz FNCINXJDEHOGKL-OAHLLOKOSA-N 2 1 338.521 1.493 20 0 EDADMP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000060470534 441244890 /nfs/dbraw/zinc/24/48/90/441244890.db2.gz SPLZBUDSBSSDJN-GOSISDBHSA-N 2 1 342.487 1.401 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000106363719 441334543 /nfs/dbraw/zinc/33/45/43/441334543.db2.gz GMRQZNPRCXPGQI-MJGOQNOKSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000062646985 441307380 /nfs/dbraw/zinc/30/73/80/441307380.db2.gz JJZRWSTYBAIEIT-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CCC[NH+](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000062646985 441307384 /nfs/dbraw/zinc/30/73/84/441307384.db2.gz JJZRWSTYBAIEIT-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CCC[NH+](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000062646985 441307388 /nfs/dbraw/zinc/30/73/88/441307388.db2.gz JJZRWSTYBAIEIT-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000074102060 441392730 /nfs/dbraw/zinc/39/27/30/441392730.db2.gz FAILQRUSYJDIGC-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000074102060 441392732 /nfs/dbraw/zinc/39/27/32/441392732.db2.gz FAILQRUSYJDIGC-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000074102060 441392733 /nfs/dbraw/zinc/39/27/33/441392733.db2.gz FAILQRUSYJDIGC-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000074102060 441392735 /nfs/dbraw/zinc/39/27/35/441392735.db2.gz FAILQRUSYJDIGC-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CCCO[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000108394503 441449917 /nfs/dbraw/zinc/44/99/17/441449917.db2.gz ZOIPWMLRRHPJBG-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000065639193 441475136 /nfs/dbraw/zinc/47/51/36/441475136.db2.gz ANFJIPDPTULABP-MRXNPFEDSA-N 2 1 346.475 1.533 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000066568145 441545005 /nfs/dbraw/zinc/54/50/05/441545005.db2.gz CWNYAVHWOGZYKF-UHFFFAOYSA-N 2 1 330.476 1.848 20 0 EDADMP COC(=O)CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000113506941 441611992 /nfs/dbraw/zinc/61/19/92/441611992.db2.gz HELJWAMVMNKCFM-UHFFFAOYSA-N 2 1 325.453 1.003 20 0 EDADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NC(=O)NC(C)(C)C ZINC000116396812 441817204 /nfs/dbraw/zinc/81/72/04/441817204.db2.gz MBTUKABJUQRDLL-CHWSQXEVSA-N 2 1 328.501 1.955 20 0 EDADMP CC[NH+](CC)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116519525 441827769 /nfs/dbraw/zinc/82/77/69/441827769.db2.gz UVGSVHYLMRBEIC-WMZOPIPTSA-N 2 1 347.507 1.933 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000174280709 441910308 /nfs/dbraw/zinc/91/03/08/441910308.db2.gz RJDMLJLICJLUAA-DLBZAZTESA-N 2 1 338.496 1.082 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000174601463 441942192 /nfs/dbraw/zinc/94/21/92/441942192.db2.gz NZFWVPNVXVREIR-QZTJIDSGSA-N 2 1 333.476 1.386 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000174601463 441942197 /nfs/dbraw/zinc/94/21/97/441942197.db2.gz NZFWVPNVXVREIR-QZTJIDSGSA-N 2 1 333.476 1.386 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc3c(c2)nc(C)n3[C@H](C)CO)C1 ZINC000456721598 447445166 /nfs/dbraw/zinc/44/51/66/447445166.db2.gz QUGGGZZWRPQHJA-SJKOYZFVSA-N 2 1 346.431 1.557 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000426452100 447446087 /nfs/dbraw/zinc/44/60/87/447446087.db2.gz WULRCMVZGHFPPN-UHFFFAOYSA-N 2 1 336.524 1.395 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000080049980 442110389 /nfs/dbraw/zinc/11/03/89/442110389.db2.gz LHCCWHLVEDCYGN-IAGOWNOFSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[N@H+]1C1CC1 ZINC000151822003 442125582 /nfs/dbraw/zinc/12/55/82/442125582.db2.gz YGTXZXMRRQXYJZ-CJNGLKHVSA-N 2 1 344.459 1.428 20 0 EDADMP COCC[NH2+]CC(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000165037977 442205630 /nfs/dbraw/zinc/20/56/30/442205630.db2.gz LOCJPPCAUSNSRU-GOSISDBHSA-N 2 1 347.503 1.812 20 0 EDADMP Cc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000121300650 442200455 /nfs/dbraw/zinc/20/04/55/442200455.db2.gz ASXPZFMFTXIMLF-UHFFFAOYSA-N 2 1 330.476 1.766 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000176023839 442162519 /nfs/dbraw/zinc/16/25/19/442162519.db2.gz AOJRENWNFDJHPO-TVFCKZIOSA-N 2 1 339.524 1.874 20 0 EDADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000121416289 442214377 /nfs/dbraw/zinc/21/43/77/442214377.db2.gz CYPXMCMJPJIIHR-QGZVFWFLSA-N 2 1 346.475 1.485 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000121416289 442214380 /nfs/dbraw/zinc/21/43/80/442214380.db2.gz CYPXMCMJPJIIHR-QGZVFWFLSA-N 2 1 346.475 1.485 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)[C@H](N)c2ccccc2OC)C[C@@H]1CC ZINC000168081819 442223035 /nfs/dbraw/zinc/22/30/35/442223035.db2.gz RKFIASYRYWOWGH-MAUKXSAKSA-N 2 1 349.475 1.654 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@H](N)c2ccccc2OC)C[C@@H]1CC ZINC000168081819 442223037 /nfs/dbraw/zinc/22/30/37/442223037.db2.gz RKFIASYRYWOWGH-MAUKXSAKSA-N 2 1 349.475 1.654 20 0 EDADMP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CSC[NH2+]1 ZINC000168880775 442225304 /nfs/dbraw/zinc/22/53/04/442225304.db2.gz XVFCJDJILOVLCR-ZDUSSCGKSA-N 2 1 329.535 1.517 20 0 EDADMP CCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000170989818 442296405 /nfs/dbraw/zinc/29/64/05/442296405.db2.gz ZILSLESHYJDKPB-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000170989818 442296407 /nfs/dbraw/zinc/29/64/07/442296407.db2.gz ZILSLESHYJDKPB-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP C[NH+]1CCC([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000177351171 442331233 /nfs/dbraw/zinc/33/12/33/442331233.db2.gz QSYQKMLOJPHBJP-UHFFFAOYSA-N 3 1 344.503 1.696 20 0 EDADMP COC(=O)[C@@H]1CCCN(CCCCn2cc[nH+]c2C)[C@H]1C(=O)OC ZINC000131125460 442364888 /nfs/dbraw/zinc/36/48/88/442364888.db2.gz FRMBKZDGRTXVBA-HUUCEWRRSA-N 2 1 337.420 1.398 20 0 EDADMP CC(=O)Nc1cccc(CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000131182385 442366406 /nfs/dbraw/zinc/36/64/06/442366406.db2.gz GAEKBJZDDUFIMI-GOSISDBHSA-N 2 1 344.459 1.559 20 0 EDADMP CC(=O)Nc1cccc(C[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000131182385 442366408 /nfs/dbraw/zinc/36/64/08/442366408.db2.gz GAEKBJZDDUFIMI-GOSISDBHSA-N 2 1 344.459 1.559 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000155015919 442371087 /nfs/dbraw/zinc/37/10/87/442371087.db2.gz HMALNZFTQXDEMM-AEFFLSMTSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000178812567 442492297 /nfs/dbraw/zinc/49/22/97/442492297.db2.gz SWVJMLXGRGQYNQ-QAPCUYQASA-N 2 1 331.460 1.473 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000178812567 442492305 /nfs/dbraw/zinc/49/23/05/442492305.db2.gz SWVJMLXGRGQYNQ-QAPCUYQASA-N 2 1 331.460 1.473 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000178966261 442539790 /nfs/dbraw/zinc/53/97/90/442539790.db2.gz USTHVKZPQTUONL-KRWDZBQOSA-N 2 1 330.476 1.116 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000178984512 442544958 /nfs/dbraw/zinc/54/49/58/442544958.db2.gz WSXCNFJTMAGUPE-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000178984512 442544962 /nfs/dbraw/zinc/54/49/62/442544962.db2.gz WSXCNFJTMAGUPE-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000172810858 442546810 /nfs/dbraw/zinc/54/68/10/442546810.db2.gz ZMKYMLOKDFLYOX-UHFFFAOYSA-N 2 1 332.492 1.504 20 0 EDADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)NC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000157074493 442547033 /nfs/dbraw/zinc/54/70/33/442547033.db2.gz RFZBQXOGHUHVNA-GOEBONIOSA-N 2 1 332.448 1.556 20 0 EDADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)NC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000157074493 442547038 /nfs/dbraw/zinc/54/70/38/442547038.db2.gz RFZBQXOGHUHVNA-GOEBONIOSA-N 2 1 332.448 1.556 20 0 EDADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)NC(N)=O)CC[NH+]1Cc1ccccc1 ZINC000157074493 442547044 /nfs/dbraw/zinc/54/70/44/442547044.db2.gz RFZBQXOGHUHVNA-GOEBONIOSA-N 2 1 332.448 1.556 20 0 EDADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)NC(N)=O)CC[NH+]1Cc1ccccc1 ZINC000157074493 442547050 /nfs/dbraw/zinc/54/70/50/442547050.db2.gz RFZBQXOGHUHVNA-GOEBONIOSA-N 2 1 332.448 1.556 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000157487396 442588088 /nfs/dbraw/zinc/58/80/88/442588088.db2.gz YWIVDHVYTKFAHK-KRWDZBQOSA-N 2 1 348.491 1.386 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000157487396 442588090 /nfs/dbraw/zinc/58/80/90/442588090.db2.gz YWIVDHVYTKFAHK-KRWDZBQOSA-N 2 1 348.491 1.386 20 0 EDADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000180463043 442605569 /nfs/dbraw/zinc/60/55/69/442605569.db2.gz PQSSZYRNTUVWHG-UHFFFAOYSA-N 3 1 346.519 1.940 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000186976959 442638527 /nfs/dbraw/zinc/63/85/27/442638527.db2.gz MFVQOHVPDVLBTF-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](CCN2CCOC[C@H]2C)CC1 ZINC000192773749 442685065 /nfs/dbraw/zinc/68/50/65/442685065.db2.gz ULPGTBOCNKCUMJ-GOSISDBHSA-N 2 1 341.540 1.778 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000187929936 442698056 /nfs/dbraw/zinc/69/80/56/442698056.db2.gz ZNXDLCSZCURTRX-OKZBNKHCSA-N 2 1 331.460 1.534 20 0 EDADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC[N@@H+](C)Cc2ccccc2)C1(C)C ZINC000188119079 442713187 /nfs/dbraw/zinc/71/31/87/442713187.db2.gz BPZKCBPIUOIIOG-QFBILLFUSA-N 2 1 333.476 1.767 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246489949 442785791 /nfs/dbraw/zinc/78/57/91/442785791.db2.gz WEGFOGGNHONMBM-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246489949 442785793 /nfs/dbraw/zinc/78/57/93/442785793.db2.gz WEGFOGGNHONMBM-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246489949 442785796 /nfs/dbraw/zinc/78/57/96/442785796.db2.gz WEGFOGGNHONMBM-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCc2cn3ccc(C)cc3n2)C1 ZINC000265521420 442807689 /nfs/dbraw/zinc/80/76/89/442807689.db2.gz HYULKKWSHYSPND-AWEZNQCLSA-N 2 1 331.420 1.163 20 0 EDADMP C[C@@H](O)C[C@H]1CCC[N@H+]1CC1(C[NH+]2CCC[C@H]2C[C@H](C)O)COC1 ZINC000182360437 442759938 /nfs/dbraw/zinc/75/99/38/442759938.db2.gz UGAHRGXXXFJYSQ-USTZCAOPSA-N 2 1 340.508 1.474 20 0 EDADMP C[C@@H](O)C[C@H]1CCC[NH+]1CC1(C[N@@H+]2CCC[C@H]2C[C@H](C)O)COC1 ZINC000182360437 442759941 /nfs/dbraw/zinc/75/99/41/442759941.db2.gz UGAHRGXXXFJYSQ-USTZCAOPSA-N 2 1 340.508 1.474 20 0 EDADMP C[C@@H](O)C[C@H]1CCC[NH+]1CC1(C[N@H+]2CCC[C@H]2C[C@H](C)O)COC1 ZINC000182360437 442759942 /nfs/dbraw/zinc/75/99/42/442759942.db2.gz UGAHRGXXXFJYSQ-USTZCAOPSA-N 2 1 340.508 1.474 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Oc1cccnc1 ZINC000265530144 442811340 /nfs/dbraw/zinc/81/13/40/442811340.db2.gz FMMLXXAQPSBMIA-IRXDYDNUSA-N 2 1 348.491 1.723 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247213007 442842009 /nfs/dbraw/zinc/84/20/09/442842009.db2.gz RWDDCVGEWFOXEG-VQHPVUNQSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247213007 442842013 /nfs/dbraw/zinc/84/20/13/442842013.db2.gz RWDDCVGEWFOXEG-VQHPVUNQSA-N 2 1 325.497 1.578 20 0 EDADMP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000268090416 442843575 /nfs/dbraw/zinc/84/35/75/442843575.db2.gz FYHDETDHMRTIDM-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000268090416 442843580 /nfs/dbraw/zinc/84/35/80/442843580.db2.gz FYHDETDHMRTIDM-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC[C@@H]21 ZINC000247961302 442874986 /nfs/dbraw/zinc/87/49/86/442874986.db2.gz GGFYLQHTTOFBOP-OAGGEKHMSA-N 2 1 329.510 1.074 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC[C@@H]21 ZINC000247961302 442874989 /nfs/dbraw/zinc/87/49/89/442874989.db2.gz GGFYLQHTTOFBOP-OAGGEKHMSA-N 2 1 329.510 1.074 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC[C@@H]21 ZINC000247961302 442874995 /nfs/dbraw/zinc/87/49/95/442874995.db2.gz GGFYLQHTTOFBOP-OAGGEKHMSA-N 2 1 329.510 1.074 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N2CCOCC2)cc1 ZINC000183146090 442889319 /nfs/dbraw/zinc/88/93/19/442889319.db2.gz QRQMMADYHPXFLE-AWEZNQCLSA-N 2 1 328.416 1.690 20 0 EDADMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183150839 442890228 /nfs/dbraw/zinc/89/02/28/442890228.db2.gz RXPOGBQPAWCATQ-VXGBXAGGSA-N 2 1 329.404 1.675 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194434140 442896231 /nfs/dbraw/zinc/89/62/31/442896231.db2.gz URYLBHQRUOHFGC-HKUYNNGSSA-N 2 1 348.491 1.120 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCOCC(F)F)CC2)CC1 ZINC000189253569 442906361 /nfs/dbraw/zinc/90/63/61/442906361.db2.gz OGFYHEVHAWKRHT-UHFFFAOYSA-N 2 1 347.450 1.534 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000194754551 442949622 /nfs/dbraw/zinc/94/96/22/442949622.db2.gz PKADHFWYRJIGJB-IYBDPMFKSA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000194754551 442949628 /nfs/dbraw/zinc/94/96/28/442949628.db2.gz PKADHFWYRJIGJB-IYBDPMFKSA-N 2 1 325.497 1.674 20 0 EDADMP CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC000249207556 442960136 /nfs/dbraw/zinc/96/01/36/442960136.db2.gz BWIDXPNZKRFLRZ-QRVBRYPASA-N 2 1 339.524 1.671 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000194939174 442970481 /nfs/dbraw/zinc/97/04/81/442970481.db2.gz JVFLIQRELSGXLB-DOMZBBRYSA-N 2 1 329.366 1.904 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000195321445 443010089 /nfs/dbraw/zinc/01/00/89/443010089.db2.gz APSQGUFJRKHYGJ-GASCZTMLSA-N 2 1 337.508 1.865 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000195321445 443010092 /nfs/dbraw/zinc/01/00/92/443010092.db2.gz APSQGUFJRKHYGJ-GASCZTMLSA-N 2 1 337.508 1.865 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000268656574 443066138 /nfs/dbraw/zinc/06/61/38/443066138.db2.gz LBQWCEXHFMDFPT-GOSISDBHSA-N 2 1 331.460 1.924 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C[NH3+])C1 ZINC000261911439 443173568 /nfs/dbraw/zinc/17/35/68/443173568.db2.gz XOHRRSNJRCJGMN-NJAFHUGGSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C[NH3+])C1 ZINC000261911439 443173573 /nfs/dbraw/zinc/17/35/73/443173573.db2.gz XOHRRSNJRCJGMN-NJAFHUGGSA-N 2 1 331.460 1.473 20 0 EDADMP O=C(C[NH2+]C[C@H]1CCCO1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237937660 443189395 /nfs/dbraw/zinc/18/93/95/443189395.db2.gz JYUNNFHYTCPZGK-ZWKOTPCHSA-N 2 1 331.460 1.536 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)C[NH2+]C3CC3)CC2)cs1 ZINC000237042446 443157026 /nfs/dbraw/zinc/15/70/26/443157026.db2.gz WISGQUDHWLDPIB-UHFFFAOYSA-N 2 1 336.505 1.786 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000245591554 443238802 /nfs/dbraw/zinc/23/88/02/443238802.db2.gz BCFBVPRGXQDMMW-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000245591554 443238806 /nfs/dbraw/zinc/23/88/06/443238806.db2.gz BCFBVPRGXQDMMW-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000245591554 443238810 /nfs/dbraw/zinc/23/88/10/443238810.db2.gz BCFBVPRGXQDMMW-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000245612122 443240241 /nfs/dbraw/zinc/24/02/41/443240241.db2.gz WADMXBFEXVJLLU-IRXDYDNUSA-N 2 1 343.537 1.653 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H](CO)C2)CC1 ZINC000190869399 443201325 /nfs/dbraw/zinc/20/13/25/443201325.db2.gz JPFJOVLGVHRKOU-MJGOQNOKSA-N 2 1 345.487 1.199 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H](CO)C2)CC1 ZINC000190869399 443201331 /nfs/dbraw/zinc/20/13/31/443201331.db2.gz JPFJOVLGVHRKOU-MJGOQNOKSA-N 2 1 345.487 1.199 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000262660737 443206458 /nfs/dbraw/zinc/20/64/58/443206458.db2.gz XQMNZRJQCWRYCA-GVDBMIGSSA-N 2 1 325.497 1.485 20 0 EDADMP C[N@H+]1CC[C@H](c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)C1 ZINC000350115736 319041981 /nfs/dbraw/zinc/04/19/81/319041981.db2.gz JBPYHKCBHNCCEZ-ZDUSSCGKSA-N 2 1 328.420 1.303 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000382724563 319124510 /nfs/dbraw/zinc/12/45/10/319124510.db2.gz QQLMTNLCBUBQML-FUHWJXTLSA-N 2 1 331.460 1.488 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC)C1)[NH+]1CCOCC1 ZINC000413077728 319262647 /nfs/dbraw/zinc/26/26/47/319262647.db2.gz BRLSTOQKKILLJA-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414193387 319319161 /nfs/dbraw/zinc/31/91/61/319319161.db2.gz MRSQNYSIIIAROP-KZNAEPCWSA-N 3 1 338.540 1.101 20 0 EDADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414193387 319319162 /nfs/dbraw/zinc/31/91/62/319319162.db2.gz MRSQNYSIIIAROP-KZNAEPCWSA-N 2 1 338.540 1.101 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@]3(C)CC[NH2+]C3)c2)CCO1 ZINC000269263349 443257169 /nfs/dbraw/zinc/25/71/69/443257169.db2.gz WYIXNJKZDOCPKN-BEFAXECRSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@]3(C)CC[NH2+]C3)c2)CCO1 ZINC000269263349 443257170 /nfs/dbraw/zinc/25/71/70/443257170.db2.gz WYIXNJKZDOCPKN-BEFAXECRSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000414660583 319337624 /nfs/dbraw/zinc/33/76/24/319337624.db2.gz ORBUORDPNSKPIT-SWLSCSKDSA-N 2 1 344.415 1.657 20 0 EDADMP C[N@H+](Cc1ccc(Br)o1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414669593 319338908 /nfs/dbraw/zinc/33/89/08/319338908.db2.gz BTNFPFKODHNROE-LLVKDONJSA-N 2 1 344.253 1.671 20 0 EDADMP COc1ccc(OCC[N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414685455 319342267 /nfs/dbraw/zinc/34/22/67/319342267.db2.gz ZGKYRWXRSFNRQE-HNNXBMFYSA-N 2 1 335.448 1.203 20 0 EDADMP CCOc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000415010682 319345513 /nfs/dbraw/zinc/34/55/13/319345513.db2.gz HBHLTTHETCKBIH-MJBXVCDLSA-N 2 1 337.464 1.766 20 0 EDADMP [NH3+]Cc1cccnc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000415988449 319387568 /nfs/dbraw/zinc/38/75/68/319387568.db2.gz CSJPTWZVRZVCMO-UHFFFAOYSA-N 2 1 325.416 1.890 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC[C@H]1[NH3+] ZINC000269281572 443265037 /nfs/dbraw/zinc/26/50/37/443265037.db2.gz QWXXOHGULKDCOL-OIISXLGYSA-N 2 1 333.501 1.972 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCC3(C)CC[NH+](C)CC3)cc2C1 ZINC000272450885 443322738 /nfs/dbraw/zinc/32/27/38/443322738.db2.gz BPPRFJAIDZDTSC-UHFFFAOYSA-N 2 1 344.459 1.419 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCC3(C)CC[NH+](C)CC3)cc2C1 ZINC000272450885 443322742 /nfs/dbraw/zinc/32/27/42/443322742.db2.gz BPPRFJAIDZDTSC-UHFFFAOYSA-N 2 1 344.459 1.419 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)[NH+](C)C)cc1 ZINC000264732147 443396120 /nfs/dbraw/zinc/39/61/20/443396120.db2.gz NFXBZMWMTQFINI-ZWKOTPCHSA-N 2 1 347.507 1.143 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000267266114 443399213 /nfs/dbraw/zinc/39/92/13/443399213.db2.gz DMGGKGMKRXIPOJ-UHFFFAOYSA-N 2 1 340.443 1.135 20 0 EDADMP COCC[NH+](C)CCNC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000267266114 443399216 /nfs/dbraw/zinc/39/92/16/443399216.db2.gz DMGGKGMKRXIPOJ-UHFFFAOYSA-N 2 1 340.443 1.135 20 0 EDADMP COCC[NH+](C)CCNC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000267266114 443399219 /nfs/dbraw/zinc/39/92/19/443399219.db2.gz DMGGKGMKRXIPOJ-UHFFFAOYSA-N 2 1 340.443 1.135 20 0 EDADMP Cc1ccc(NCCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)[nH+]c1 ZINC000278998753 443485462 /nfs/dbraw/zinc/48/54/62/443485462.db2.gz LZBZBIGYVHXBOR-ZDUSSCGKSA-N 2 1 328.420 1.422 20 0 EDADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000422690507 319731619 /nfs/dbraw/zinc/73/16/19/319731619.db2.gz GNGFBZHMNGYOPJ-MNOVXSKESA-N 2 1 326.238 1.975 20 0 EDADMP COCCOc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422741053 319736793 /nfs/dbraw/zinc/73/67/93/319736793.db2.gz OZMDGXWDHVOYHH-FGTMMUONSA-N 2 1 334.460 1.959 20 0 EDADMP COCCOc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422741056 319736912 /nfs/dbraw/zinc/73/69/12/319736912.db2.gz OZMDGXWDHVOYHH-RCCFBDPRSA-N 2 1 334.460 1.959 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423217730 319756952 /nfs/dbraw/zinc/75/69/52/319756952.db2.gz ULTJKIADDCSERL-ZIAGYGMSSA-N 2 1 325.478 1.601 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000273098556 443538446 /nfs/dbraw/zinc/53/84/46/443538446.db2.gz PHCBCUOKPBKYND-MJGOQNOKSA-N 2 1 345.487 1.736 20 0 EDADMP CC[C@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1[NH+]1CCOCC1 ZINC000423876067 319822952 /nfs/dbraw/zinc/82/29/52/319822952.db2.gz NMUMWRXECOOBLX-GPQQEZGISA-N 2 1 335.492 1.476 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000272232662 443563638 /nfs/dbraw/zinc/56/36/38/443563638.db2.gz JXNPDKLSUWEIAG-JYJNAYRXSA-N 2 1 348.466 1.532 20 0 EDADMP C[NH+](C)CCc1ccccc1NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000275721211 443639730 /nfs/dbraw/zinc/63/97/30/443639730.db2.gz WBTFPLMBRKAECG-UHFFFAOYSA-N 2 1 348.491 1.711 20 0 EDADMP O=C(NC[C@H](O)C[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279928058 443643928 /nfs/dbraw/zinc/64/39/28/443643928.db2.gz QRZOAGMJILVMID-RBUKOAKNSA-N 2 1 343.471 1.149 20 0 EDADMP O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+]1C1CC1 ZINC000279928058 443643930 /nfs/dbraw/zinc/64/39/30/443643930.db2.gz QRZOAGMJILVMID-RBUKOAKNSA-N 2 1 343.471 1.149 20 0 EDADMP O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+]1C1CC1 ZINC000279928058 443643934 /nfs/dbraw/zinc/64/39/34/443643934.db2.gz QRZOAGMJILVMID-RBUKOAKNSA-N 2 1 343.471 1.149 20 0 EDADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000286100145 443646146 /nfs/dbraw/zinc/64/61/46/443646146.db2.gz NNCKGPLJXZFSAR-YJBOKZPZSA-N 2 1 348.491 1.050 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2O)CC1 ZINC000436827377 320024337 /nfs/dbraw/zinc/02/43/37/320024337.db2.gz JPZHRAZHRVNLSJ-PBHICJAKSA-N 2 1 331.460 1.927 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2O)CC1 ZINC000436827377 320024340 /nfs/dbraw/zinc/02/43/40/320024340.db2.gz JPZHRAZHRVNLSJ-PBHICJAKSA-N 2 1 331.460 1.927 20 0 EDADMP CC[NH+]1CCN(CCC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000439693466 320048154 /nfs/dbraw/zinc/04/81/54/320048154.db2.gz SPVPPVCECUSILF-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000439693466 320048156 /nfs/dbraw/zinc/04/81/56/320048156.db2.gz SPVPPVCECUSILF-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000439693466 320048159 /nfs/dbraw/zinc/04/81/59/320048159.db2.gz SPVPPVCECUSILF-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444267327 320123319 /nfs/dbraw/zinc/12/33/19/320123319.db2.gz JZUKRARQVVTNBO-MJGOQNOKSA-N 2 1 346.450 1.064 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000444269463 320123609 /nfs/dbraw/zinc/12/36/09/320123609.db2.gz LAPDSXIRZLSSNA-HZPDHXFCSA-N 2 1 330.432 1.153 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449751379 320204869 /nfs/dbraw/zinc/20/48/69/320204869.db2.gz XZZNIEDEPDNCOR-KURKYZTESA-N 2 1 329.444 1.098 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449751379 320204872 /nfs/dbraw/zinc/20/48/72/320204872.db2.gz XZZNIEDEPDNCOR-KURKYZTESA-N 2 1 329.444 1.098 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2CCO)[C@H](C)C1 ZINC000453275196 320262096 /nfs/dbraw/zinc/26/20/96/320262096.db2.gz WQIYUICJMODPRR-QYZOEREBSA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2CCO)[C@H](C)C1 ZINC000453275196 320262097 /nfs/dbraw/zinc/26/20/97/320262097.db2.gz WQIYUICJMODPRR-QYZOEREBSA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2CCO)[C@H](C)C1 ZINC000453275196 320262099 /nfs/dbraw/zinc/26/20/99/320262099.db2.gz WQIYUICJMODPRR-QYZOEREBSA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+]2CCO)[C@H](C)C1 ZINC000453275196 320262100 /nfs/dbraw/zinc/26/21/00/320262100.db2.gz WQIYUICJMODPRR-QYZOEREBSA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+]2CCO)[C@H](C)C1 ZINC000453275196 320262101 /nfs/dbraw/zinc/26/21/01/320262101.db2.gz WQIYUICJMODPRR-QYZOEREBSA-N 2 1 341.540 1.560 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000454617976 320291226 /nfs/dbraw/zinc/29/12/26/320291226.db2.gz YMYKIDILONJKFW-UHFFFAOYSA-N 2 1 326.510 1.351 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CCCCC1 ZINC000457445024 320326062 /nfs/dbraw/zinc/32/60/62/320326062.db2.gz WVBXWQTZMKBRKW-INIZCTEOSA-N 2 1 340.512 1.397 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000457706180 320332577 /nfs/dbraw/zinc/33/25/77/320332577.db2.gz HRVMVGLTVZNJKZ-HZPDHXFCSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)CC[N@H+](C2CC2)C1 ZINC000457734128 320334041 /nfs/dbraw/zinc/33/40/41/320334041.db2.gz FSIPDENYDYRBBL-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCOCC[NH+](C)C ZINC000471647475 320352957 /nfs/dbraw/zinc/35/29/57/320352957.db2.gz HDIQPNNPVONDQR-OWCLPIDISA-N 2 1 328.501 1.230 20 0 EDADMP Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000475045040 320353639 /nfs/dbraw/zinc/35/36/39/320353639.db2.gz IKUQQVJYQDGUMI-MLHJIOFPSA-N 2 1 335.471 1.549 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(CC[NH3+])CC2)C[C@@H](C)O1 ZINC000514608321 320429530 /nfs/dbraw/zinc/42/95/30/320429530.db2.gz OZVLHIVXRXNLMF-HUUCEWRRSA-N 2 1 340.512 1.645 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000283807582 443727403 /nfs/dbraw/zinc/72/74/03/443727403.db2.gz ATDVICIUXPWWMG-CQSZACIVSA-N 2 1 328.416 1.660 20 0 EDADMP Cc1nccn1CCCCNC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000288195186 443800625 /nfs/dbraw/zinc/80/06/25/443800625.db2.gz QKRKTTAEDVFIBL-UHFFFAOYSA-N 2 1 349.479 1.031 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000288195186 443800631 /nfs/dbraw/zinc/80/06/31/443800631.db2.gz QKRKTTAEDVFIBL-UHFFFAOYSA-N 2 1 349.479 1.031 20 0 EDADMP Cn1cncc1CCC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000276637710 443773530 /nfs/dbraw/zinc/77/35/30/443773530.db2.gz UNMUZNWAQCKHQK-SFHVURJKSA-N 2 1 342.443 1.236 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000298607498 443814652 /nfs/dbraw/zinc/81/46/52/443814652.db2.gz HUFOFYCVJYDRCZ-HNNXBMFYSA-N 2 1 347.463 1.058 20 0 EDADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NC(N)=O ZINC000298887215 443892684 /nfs/dbraw/zinc/89/26/84/443892684.db2.gz SJCXKNXBAVQTOP-KGLIPLIRSA-N 2 1 332.448 1.734 20 0 EDADMP c1nc(N2CCCC2)ncc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000535067784 320711705 /nfs/dbraw/zinc/71/17/05/320711705.db2.gz KENXOJWUAGYJST-UHFFFAOYSA-N 2 1 345.491 1.621 20 0 EDADMP CN(CCC[NH+](C)C)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000541787903 320776897 /nfs/dbraw/zinc/77/68/97/320776897.db2.gz XRCIYOOWNYBNFK-UHFFFAOYSA-N 2 1 347.507 1.402 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000293313788 443980608 /nfs/dbraw/zinc/98/06/08/443980608.db2.gz HHHMJVPLQKSTJX-OAHLLOKOSA-N 2 1 343.431 1.524 20 0 EDADMP CS[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1[NH+]1CCCC1 ZINC000547861138 320846534 /nfs/dbraw/zinc/84/65/34/320846534.db2.gz KXFLVNDZGNCIHR-DLBZAZTESA-N 2 1 348.516 1.800 20 0 EDADMP Cc1ccc(CNC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000288797728 443986103 /nfs/dbraw/zinc/98/61/03/443986103.db2.gz CVBCZRMKIYAHEQ-UHFFFAOYSA-N 2 1 334.508 1.427 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCC[NH+]2C)[C@@H](c2ccccc2)C1 ZINC000299530241 444071622 /nfs/dbraw/zinc/07/16/22/444071622.db2.gz NANRVJOVZJEOHP-RBUKOAKNSA-N 2 1 344.503 1.576 20 0 EDADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](c2ccccc2)C1 ZINC000299530241 444071625 /nfs/dbraw/zinc/07/16/25/444071625.db2.gz NANRVJOVZJEOHP-RBUKOAKNSA-N 2 1 344.503 1.576 20 0 EDADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](c2ccccc2)C1 ZINC000299530241 444071628 /nfs/dbraw/zinc/07/16/28/444071628.db2.gz NANRVJOVZJEOHP-RBUKOAKNSA-N 2 1 344.503 1.576 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000299530241 444071631 /nfs/dbraw/zinc/07/16/31/444071631.db2.gz NANRVJOVZJEOHP-RBUKOAKNSA-N 2 1 344.503 1.576 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000299530241 444071634 /nfs/dbraw/zinc/07/16/34/444071634.db2.gz NANRVJOVZJEOHP-RBUKOAKNSA-N 2 1 344.503 1.576 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000299530241 444071636 /nfs/dbraw/zinc/07/16/36/444071636.db2.gz NANRVJOVZJEOHP-RBUKOAKNSA-N 2 1 344.503 1.576 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000299530241 444071639 /nfs/dbraw/zinc/07/16/39/444071639.db2.gz NANRVJOVZJEOHP-RBUKOAKNSA-N 2 1 344.503 1.576 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000557354330 321002848 /nfs/dbraw/zinc/00/28/48/321002848.db2.gz GLILAWXBIVTKSF-ZDUSSCGKSA-N 2 1 329.404 1.263 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CC[NH2+]CC3)c2)CCO1 ZINC000561177546 321034903 /nfs/dbraw/zinc/03/49/03/321034903.db2.gz IFBRBFRSUWXHJL-OAHLLOKOSA-N 2 1 332.448 1.022 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CC[NH2+]CC3)c2)CCO1 ZINC000561177546 321034904 /nfs/dbraw/zinc/03/49/04/321034904.db2.gz IFBRBFRSUWXHJL-OAHLLOKOSA-N 2 1 332.448 1.022 20 0 EDADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000561280049 321038818 /nfs/dbraw/zinc/03/88/18/321038818.db2.gz APZNOIIDLQZBKP-WMLDXEAASA-N 2 1 342.447 1.425 20 0 EDADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000561280049 321038819 /nfs/dbraw/zinc/03/88/19/321038819.db2.gz APZNOIIDLQZBKP-WMLDXEAASA-N 2 1 342.447 1.425 20 0 EDADMP CC[NH+](CC)CCNC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000562175756 321047402 /nfs/dbraw/zinc/04/74/02/321047402.db2.gz SLSKDUFNUNOKLE-GOSISDBHSA-N 2 1 332.492 1.897 20 0 EDADMP CC[NH+](CC)CCNC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000562175756 321047403 /nfs/dbraw/zinc/04/74/03/321047403.db2.gz SLSKDUFNUNOKLE-GOSISDBHSA-N 2 1 332.492 1.897 20 0 EDADMP C[NH+]1CCC(CCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000562514851 321060462 /nfs/dbraw/zinc/06/04/62/321060462.db2.gz RKDXHBYVBLWPRB-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562803607 321077231 /nfs/dbraw/zinc/07/72/31/321077231.db2.gz AOJZBRISEXRYJR-RYRKJORJSA-N 2 1 348.491 1.703 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562803607 321077232 /nfs/dbraw/zinc/07/72/32/321077232.db2.gz AOJZBRISEXRYJR-RYRKJORJSA-N 2 1 348.491 1.703 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000563212487 321100832 /nfs/dbraw/zinc/10/08/32/321100832.db2.gz XXZOILCUBVDUCP-CABCVRRESA-N 2 1 335.477 1.172 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000563212487 321100834 /nfs/dbraw/zinc/10/08/34/321100834.db2.gz XXZOILCUBVDUCP-CABCVRRESA-N 2 1 335.477 1.172 20 0 EDADMP CCCNC(=O)CCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000564580602 321136190 /nfs/dbraw/zinc/13/61/90/321136190.db2.gz LONXHWJISWZEOJ-JWTNVVGKSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)C[NH+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000566442241 321231348 /nfs/dbraw/zinc/23/13/48/321231348.db2.gz CWVYFRHWSSRUKC-IYBDPMFKSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000566442241 321231350 /nfs/dbraw/zinc/23/13/50/321231350.db2.gz CWVYFRHWSSRUKC-IYBDPMFKSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)C[N@H+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000566442241 321231352 /nfs/dbraw/zinc/23/13/52/321231352.db2.gz CWVYFRHWSSRUKC-IYBDPMFKSA-N 2 1 325.497 1.724 20 0 EDADMP CN1C(=O)CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000567662852 321251903 /nfs/dbraw/zinc/25/19/03/321251903.db2.gz WWLDYNYWMHYCHI-MHORFTMASA-N 2 1 341.455 1.919 20 0 EDADMP CN1C(=O)CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC000567662852 321251905 /nfs/dbraw/zinc/25/19/05/321251905.db2.gz WWLDYNYWMHYCHI-MHORFTMASA-N 2 1 341.455 1.919 20 0 EDADMP C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000567982905 321271296 /nfs/dbraw/zinc/27/12/96/321271296.db2.gz ZIGRGNWNJTUPOF-BHYGNILZSA-N 2 1 333.476 1.766 20 0 EDADMP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc2c(c1)C[NH2+]C2 ZINC000569967198 321332513 /nfs/dbraw/zinc/33/25/13/321332513.db2.gz OBCMVICLMFNOPY-ROUUACIJSA-N 2 1 329.444 1.663 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000570573640 321349254 /nfs/dbraw/zinc/34/92/54/321349254.db2.gz XKLNDNJLSWEVHG-GOEBONIOSA-N 2 1 346.475 1.711 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000570949570 321366129 /nfs/dbraw/zinc/36/61/29/321366129.db2.gz LKRUEEURBGXRJX-HNNXBMFYSA-N 2 1 340.512 1.023 20 0 EDADMP CN(C)c1ncc(CNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)n1C ZINC000571627450 321394168 /nfs/dbraw/zinc/39/41/68/321394168.db2.gz GYCMBXWJELSPCC-AWEZNQCLSA-N 2 1 336.484 1.406 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)n1C ZINC000571627450 321394171 /nfs/dbraw/zinc/39/41/71/321394171.db2.gz GYCMBXWJELSPCC-AWEZNQCLSA-N 2 1 336.484 1.406 20 0 EDADMP Cc1nn(-c2ccncc2)cc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000572286703 321424908 /nfs/dbraw/zinc/42/49/08/321424908.db2.gz WJAKGPCAZYDQHO-UHFFFAOYSA-N 2 1 330.480 1.501 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(Nc3ccccn3)CC2)CC1 ZINC000575148917 321517498 /nfs/dbraw/zinc/51/74/98/321517498.db2.gz QFCVTUNHLBWMLQ-UHFFFAOYSA-N 2 1 345.491 1.558 20 0 EDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289596085 444178844 /nfs/dbraw/zinc/17/88/44/444178844.db2.gz FRNQYTGILSGSQN-KRWDZBQOSA-N 2 1 348.472 1.896 20 0 EDADMP C[N@@H+](C[C@@H](O)CN1CC[C@](CO)(Cc2ccc(F)cc2)C1)C1CC1 ZINC000289648358 444185846 /nfs/dbraw/zinc/18/58/46/444185846.db2.gz GCEDIZAZESZDII-MOPGFXCFSA-N 2 1 336.451 1.508 20 0 EDADMP CN(C[C@@H](O)C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1)C1CC1 ZINC000289648358 444185848 /nfs/dbraw/zinc/18/58/48/444185848.db2.gz GCEDIZAZESZDII-MOPGFXCFSA-N 2 1 336.451 1.508 20 0 EDADMP CN(C[C@@H](O)C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1)C1CC1 ZINC000289648358 444185851 /nfs/dbraw/zinc/18/58/51/444185851.db2.gz GCEDIZAZESZDII-MOPGFXCFSA-N 2 1 336.451 1.508 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000305116332 444258898 /nfs/dbraw/zinc/25/88/98/444258898.db2.gz AOVXXPZNELUHAM-HRCADAONSA-N 2 1 339.480 1.839 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000305116332 444258900 /nfs/dbraw/zinc/25/89/00/444258900.db2.gz AOVXXPZNELUHAM-HRCADAONSA-N 2 1 339.480 1.839 20 0 EDADMP Cc1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cn2ccnc12 ZINC000297017337 444268178 /nfs/dbraw/zinc/26/81/78/444268178.db2.gz QDCSJHAPTPGYNH-CQSZACIVSA-N 2 1 345.447 1.952 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000296508777 444234341 /nfs/dbraw/zinc/23/43/41/444234341.db2.gz RLDFQEJUWDALTL-KRWDZBQOSA-N 2 1 344.503 1.451 20 0 EDADMP CC[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000305680444 444272540 /nfs/dbraw/zinc/27/25/40/444272540.db2.gz MQGANNYXORTSPT-IEBWSBKVSA-N 2 1 345.487 1.470 20 0 EDADMP CC[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000305680444 444272543 /nfs/dbraw/zinc/27/25/43/444272543.db2.gz MQGANNYXORTSPT-IEBWSBKVSA-N 2 1 345.487 1.470 20 0 EDADMP CC[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000305680444 444272545 /nfs/dbraw/zinc/27/25/45/444272545.db2.gz MQGANNYXORTSPT-IEBWSBKVSA-N 2 1 345.487 1.470 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](C)[NH2+]C3CC3)CC2)cc1 ZINC000296550408 444238246 /nfs/dbraw/zinc/23/82/46/444238246.db2.gz UJXGHSSRBIAMLT-OAHLLOKOSA-N 2 1 331.460 1.870 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](C)[NH2+]C3CC3)CC2)cc1 ZINC000296550408 444238248 /nfs/dbraw/zinc/23/82/48/444238248.db2.gz UJXGHSSRBIAMLT-OAHLLOKOSA-N 2 1 331.460 1.870 20 0 EDADMP C[N@H+](C[C@@H](O)CN1CC[NH+](C/C=C/c2ccccc2)CC1)C1CC1 ZINC000290073985 444238829 /nfs/dbraw/zinc/23/88/29/444238829.db2.gz ULWPGEDHKDNKHL-MUPIXQSSSA-N 2 1 329.488 1.773 20 0 EDADMP C[N@@H+](C[C@@H](O)CN1CC[NH+](C/C=C/c2ccccc2)CC1)C1CC1 ZINC000290073985 444238831 /nfs/dbraw/zinc/23/88/31/444238831.db2.gz ULWPGEDHKDNKHL-MUPIXQSSSA-N 2 1 329.488 1.773 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000296597224 444242205 /nfs/dbraw/zinc/24/22/05/444242205.db2.gz YDLCXXGBPPKWKM-HUUCEWRRSA-N 2 1 331.460 1.664 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000296597224 444242207 /nfs/dbraw/zinc/24/22/07/444242207.db2.gz YDLCXXGBPPKWKM-HUUCEWRRSA-N 2 1 331.460 1.664 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cn1cccn1 ZINC000310816967 444292758 /nfs/dbraw/zinc/29/27/58/444292758.db2.gz JEQNRQAXAJGVHC-MTQWCTHYSA-N 2 1 340.471 1.744 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290609094 444301023 /nfs/dbraw/zinc/30/10/23/444301023.db2.gz PMGVNFWMRJDKMM-IPMKNSEASA-N 2 1 327.472 1.967 20 0 EDADMP COc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc(Cl)c1OCC(N)=O ZINC000323999522 444349145 /nfs/dbraw/zinc/34/91/45/444349145.db2.gz LPJKJDWUSREZBJ-NSHDSACASA-N 2 1 343.855 1.500 20 0 EDADMP CC(C)[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000324696338 444357165 /nfs/dbraw/zinc/35/71/65/444357165.db2.gz WAXHGYRIQAZVKI-QZTJIDSGSA-N 2 1 332.492 1.465 20 0 EDADMP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337750196 444388058 /nfs/dbraw/zinc/38/80/58/444388058.db2.gz IOVCEZVBCVYWCB-SFHVURJKSA-N 2 1 337.439 1.724 20 0 EDADMP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337750196 444388060 /nfs/dbraw/zinc/38/80/60/444388060.db2.gz IOVCEZVBCVYWCB-SFHVURJKSA-N 2 1 337.439 1.724 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000337967635 444475043 /nfs/dbraw/zinc/47/50/43/444475043.db2.gz ARDVHUPOUWFIFZ-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000337967635 444475045 /nfs/dbraw/zinc/47/50/45/444475045.db2.gz ARDVHUPOUWFIFZ-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C[N@@H+]1Cc1ccccc1 ZINC000337967635 444475047 /nfs/dbraw/zinc/47/50/47/444475047.db2.gz ARDVHUPOUWFIFZ-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C[N@H+]1Cc1ccccc1 ZINC000337967635 444475048 /nfs/dbraw/zinc/47/50/48/444475048.db2.gz ARDVHUPOUWFIFZ-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC[N@H+]1C ZINC000343764724 444574380 /nfs/dbraw/zinc/57/43/80/444574380.db2.gz WDOGSLCFQGWQDR-HOTGVXAUSA-N 2 1 338.496 1.413 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000341008667 444628313 /nfs/dbraw/zinc/62/83/13/444628313.db2.gz DYJOCPLOTUUGNC-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP CNc1cc(N2CCC[C@H]2CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)ncn1 ZINC000332924364 444597990 /nfs/dbraw/zinc/59/79/90/444597990.db2.gz WGAJSLHRDQCNFF-ZNMIVQPWSA-N 2 1 346.479 1.476 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000332963067 444612616 /nfs/dbraw/zinc/61/26/16/444612616.db2.gz ITACDPUXFWTMIC-DLBZAZTESA-N 2 1 343.475 1.848 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000332963067 444612619 /nfs/dbraw/zinc/61/26/19/444612619.db2.gz ITACDPUXFWTMIC-DLBZAZTESA-N 2 1 343.475 1.848 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CCC[NH+]1CCOC)c1ccccc1 ZINC000343835716 444617929 /nfs/dbraw/zinc/61/79/29/444617929.db2.gz SGMTTWQCZXIXDI-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CCC[NH+]1CCOC)c1ccccc1 ZINC000343835716 444617934 /nfs/dbraw/zinc/61/79/34/444617934.db2.gz SGMTTWQCZXIXDI-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCOC)c1ccccc1 ZINC000343835716 444617939 /nfs/dbraw/zinc/61/79/39/444617939.db2.gz SGMTTWQCZXIXDI-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCOC)c1ccccc1 ZINC000343835716 444617944 /nfs/dbraw/zinc/61/79/44/444617944.db2.gz SGMTTWQCZXIXDI-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP C[NH+]1CCC([C@H]2CCN(c3nc(N[C@H]4CCCOC4)cc[nH+]3)C2)CC1 ZINC000333336891 444658061 /nfs/dbraw/zinc/65/80/61/444658061.db2.gz ZLUUEFVWAXKXFU-IRXDYDNUSA-N 2 1 345.491 2.236 20 0 EDADMP CC[NH+](CC)CCC[N@H+](C)C[C@@H]1C[C@H](F)CN1c1nnc(C)o1 ZINC000338347374 444646922 /nfs/dbraw/zinc/64/69/22/444646922.db2.gz ABIAPGMVUGBRLL-GJZGRUSLSA-N 2 1 327.448 1.959 20 0 EDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1nnc(C)o1 ZINC000338347374 444646925 /nfs/dbraw/zinc/64/69/25/444646925.db2.gz ABIAPGMVUGBRLL-GJZGRUSLSA-N 2 1 327.448 1.959 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn2ccnc2s1 ZINC000343968032 444700618 /nfs/dbraw/zinc/70/06/18/444700618.db2.gz AZUMWVUQYYOLBW-AWEZNQCLSA-N 2 1 349.504 1.884 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000343992004 444714337 /nfs/dbraw/zinc/71/43/37/444714337.db2.gz MZCWRLOYAHRKRO-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000343992004 444714339 /nfs/dbraw/zinc/71/43/39/444714339.db2.gz MZCWRLOYAHRKRO-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000343992004 444714341 /nfs/dbraw/zinc/71/43/41/444714341.db2.gz MZCWRLOYAHRKRO-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CC[N@H+]1C ZINC000341185949 444716429 /nfs/dbraw/zinc/71/64/29/444716429.db2.gz BYFHZENWWRSRRB-HZPDHXFCSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC[NH+]1C ZINC000341185949 444716435 /nfs/dbraw/zinc/71/64/35/444716435.db2.gz BYFHZENWWRSRRB-HZPDHXFCSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC[NH+]1C ZINC000341185949 444716439 /nfs/dbraw/zinc/71/64/39/444716439.db2.gz BYFHZENWWRSRRB-HZPDHXFCSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000341185949 444716443 /nfs/dbraw/zinc/71/64/43/444716443.db2.gz BYFHZENWWRSRRB-HZPDHXFCSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000341185949 444716449 /nfs/dbraw/zinc/71/64/49/444716449.db2.gz BYFHZENWWRSRRB-HZPDHXFCSA-N 2 1 339.528 1.137 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)[N@H+](C)C1 ZINC000343939927 444683306 /nfs/dbraw/zinc/68/33/06/444683306.db2.gz XCSNXIMVXJOAMK-OALUTQOASA-N 2 1 345.487 1.795 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)[N@@H+](C)C1 ZINC000343939927 444683308 /nfs/dbraw/zinc/68/33/08/444683308.db2.gz XCSNXIMVXJOAMK-OALUTQOASA-N 2 1 345.487 1.795 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000333794432 444698014 /nfs/dbraw/zinc/69/80/14/444698014.db2.gz GTBWWGNUYGJNHX-HNNXBMFYSA-N 2 1 338.496 1.543 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000342556576 444743288 /nfs/dbraw/zinc/74/32/88/444743288.db2.gz XWVSDMGQEMJCEM-QGZVFWFLSA-N 2 1 326.529 1.449 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000342567973 444747599 /nfs/dbraw/zinc/74/75/99/444747599.db2.gz LTXHSZMQFDTFBN-OIISXLGYSA-N 2 1 337.533 1.899 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)cc1 ZINC000341281228 444760625 /nfs/dbraw/zinc/76/06/25/444760625.db2.gz CQFOIOTWDRKOHK-VQIMIIECSA-N 2 1 345.487 1.927 20 0 EDADMP COc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000341281228 444760629 /nfs/dbraw/zinc/76/06/29/444760629.db2.gz CQFOIOTWDRKOHK-VQIMIIECSA-N 2 1 345.487 1.927 20 0 EDADMP COc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000341281228 444760633 /nfs/dbraw/zinc/76/06/33/444760633.db2.gz CQFOIOTWDRKOHK-VQIMIIECSA-N 2 1 345.487 1.927 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC[NH+](CC)C(C)C)C[C@@H]1CC ZINC000342651311 444797309 /nfs/dbraw/zinc/79/73/09/444797309.db2.gz NLZUOJLXCWANOP-KRWDZBQOSA-N 2 1 342.528 1.859 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@H+](CC)C(C)C)C[C@@H]1CC ZINC000342651311 444797314 /nfs/dbraw/zinc/79/73/14/444797314.db2.gz NLZUOJLXCWANOP-KRWDZBQOSA-N 2 1 342.528 1.859 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+](CC)C(C)C)C[C@@H]1CC ZINC000342651311 444797317 /nfs/dbraw/zinc/79/73/17/444797317.db2.gz NLZUOJLXCWANOP-KRWDZBQOSA-N 2 1 342.528 1.859 20 0 EDADMP C[NH+]1CCC(Nc2cc(C3CC3)[nH+]c(NC3CC[NH+](C)CC3)n2)CC1 ZINC000341397320 444809875 /nfs/dbraw/zinc/80/98/75/444809875.db2.gz ZMLXKLUGAZEVMT-UHFFFAOYSA-N 3 1 344.507 1.210 20 0 EDADMP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000338766218 444843265 /nfs/dbraw/zinc/84/32/65/444843265.db2.gz KLUABLSDFPHKFO-ULQDDVLXSA-N 2 1 327.513 1.967 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000338766218 444843269 /nfs/dbraw/zinc/84/32/69/444843269.db2.gz KLUABLSDFPHKFO-ULQDDVLXSA-N 2 1 327.513 1.967 20 0 EDADMP Cc1nc(N2C[C@@H](C)[NH+](C)[C@@H](C)C2)nc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)n1 ZINC000338791403 444853417 /nfs/dbraw/zinc/85/34/17/444853417.db2.gz FHPVTZUJKVSKRA-NMWPEEMBSA-N 2 1 347.511 1.238 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000338803527 444859078 /nfs/dbraw/zinc/85/90/78/444859078.db2.gz REUXGNYGLHQJGM-GOEBONIOSA-N 2 1 334.464 1.691 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000338803527 444859082 /nfs/dbraw/zinc/85/90/82/444859082.db2.gz REUXGNYGLHQJGM-GOEBONIOSA-N 2 1 334.464 1.691 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000337064887 444925380 /nfs/dbraw/zinc/92/53/80/444925380.db2.gz ZKDJOVSFUPETGM-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)[C@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)[NH+]1CCCCC1 ZINC000342949190 444959433 /nfs/dbraw/zinc/95/94/33/444959433.db2.gz BWAUONCEXMJLLS-ZWKOTPCHSA-N 2 1 339.524 1.850 20 0 EDADMP CC(C)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)[NH+]1CCCCC1 ZINC000342949184 444959687 /nfs/dbraw/zinc/95/96/87/444959687.db2.gz BWAUONCEXMJLLS-MSOLQXFVSA-N 2 1 339.524 1.850 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@H]1CCSC1)Cc1ccccc1 ZINC000343038018 445021879 /nfs/dbraw/zinc/02/18/79/445021879.db2.gz AYMBDRFTLAHWJQ-IRXDYDNUSA-N 2 1 335.517 1.713 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000341750234 444984863 /nfs/dbraw/zinc/98/48/63/444984863.db2.gz WGLMAZRTJDLDIL-PKOBYXMFSA-N 2 1 344.503 1.513 20 0 EDADMP CC[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000344483426 445002193 /nfs/dbraw/zinc/00/21/93/445002193.db2.gz PLFNGGPKZSXMPX-SFHVURJKSA-N 2 1 345.487 1.695 20 0 EDADMP C[C@@H]1COCCN1CC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000337266372 445009726 /nfs/dbraw/zinc/00/97/26/445009726.db2.gz ZCRSWAFBUREEDM-RLLQIKCJSA-N 2 1 329.488 1.771 20 0 EDADMP C[C@@H]1COCCN1CC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000337266372 445009730 /nfs/dbraw/zinc/00/97/30/445009730.db2.gz ZCRSWAFBUREEDM-RLLQIKCJSA-N 2 1 329.488 1.771 20 0 EDADMP C[C@@H]1COCCN1CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000337266372 445009734 /nfs/dbraw/zinc/00/97/34/445009734.db2.gz ZCRSWAFBUREEDM-RLLQIKCJSA-N 2 1 329.488 1.771 20 0 EDADMP C[C@@H]1COCCN1CC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000337266372 445009737 /nfs/dbraw/zinc/00/97/37/445009737.db2.gz ZCRSWAFBUREEDM-RLLQIKCJSA-N 2 1 329.488 1.771 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339067508 445016925 /nfs/dbraw/zinc/01/69/25/445016925.db2.gz LBNLHMWBQCTWLM-LSDHHAIUSA-N 2 1 334.464 1.458 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000337343803 445040808 /nfs/dbraw/zinc/04/08/08/445040808.db2.gz YASYHXPQKKXLTB-HZPDHXFCSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@H+](C2CCC2)C1 ZINC000344738891 445138360 /nfs/dbraw/zinc/13/83/60/445138360.db2.gz IHLCLAZCCMFRPT-APWZRJJASA-N 2 1 349.519 1.963 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+](C2CCC2)C1 ZINC000344738891 445138363 /nfs/dbraw/zinc/13/83/63/445138363.db2.gz IHLCLAZCCMFRPT-APWZRJJASA-N 2 1 349.519 1.963 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC[NH+](C2CCC2)C1 ZINC000344738891 445138367 /nfs/dbraw/zinc/13/83/67/445138367.db2.gz IHLCLAZCCMFRPT-APWZRJJASA-N 2 1 349.519 1.963 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1[NH+](C)C ZINC000344757018 445140037 /nfs/dbraw/zinc/14/00/37/445140037.db2.gz IHCBRTCCHYYMRK-ARFHVFGLSA-N 2 1 341.521 1.134 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000339435152 445140219 /nfs/dbraw/zinc/14/02/19/445140219.db2.gz XMRUKMGEDDIZAR-IBGZPJMESA-N 2 1 334.508 1.147 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCc2sccc2C1 ZINC000343170650 445112405 /nfs/dbraw/zinc/11/24/05/445112405.db2.gz MSJNWKHLPZCATQ-ZBFHGGJFSA-N 2 1 348.516 1.001 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+]1CCc2sccc2C1 ZINC000343170650 445112409 /nfs/dbraw/zinc/11/24/09/445112409.db2.gz MSJNWKHLPZCATQ-ZBFHGGJFSA-N 2 1 348.516 1.001 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)[N@@H+]1CCc2sccc2C1 ZINC000343170650 445112414 /nfs/dbraw/zinc/11/24/14/445112414.db2.gz MSJNWKHLPZCATQ-ZBFHGGJFSA-N 2 1 348.516 1.001 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)[N@H+]1CCc2sccc2C1 ZINC000343170650 445112419 /nfs/dbraw/zinc/11/24/19/445112419.db2.gz MSJNWKHLPZCATQ-ZBFHGGJFSA-N 2 1 348.516 1.001 20 0 EDADMP C[N@H+]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000337604978 445163201 /nfs/dbraw/zinc/16/32/01/445163201.db2.gz PJRWUARWEQYMNZ-UHFFFAOYSA-N 2 1 340.537 1.695 20 0 EDADMP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342086998 445164299 /nfs/dbraw/zinc/16/42/99/445164299.db2.gz OXCYTYCPGDNMJH-YHUYYLMFSA-N 2 1 334.464 2.540 20 0 EDADMP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342086998 445164301 /nfs/dbraw/zinc/16/43/01/445164301.db2.gz OXCYTYCPGDNMJH-YHUYYLMFSA-N 2 1 334.464 2.540 20 0 EDADMP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Cc1ccc(F)cc1 ZINC000343268022 445169933 /nfs/dbraw/zinc/16/99/33/445169933.db2.gz KNZPXTOCHGQGES-JCHJZTRSSA-N 2 1 336.451 1.723 20 0 EDADMP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342108060 445175541 /nfs/dbraw/zinc/17/55/41/445175541.db2.gz QLLJIVSSQVWCTN-LXTVHRRPSA-N 2 1 342.443 1.419 20 0 EDADMP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342108060 445175544 /nfs/dbraw/zinc/17/55/44/445175544.db2.gz QLLJIVSSQVWCTN-LXTVHRRPSA-N 2 1 342.443 1.419 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343400941 445216084 /nfs/dbraw/zinc/21/60/84/445216084.db2.gz KXOWNLCANFCAGA-GUDVDZBRSA-N 2 1 348.535 1.489 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343400941 445216085 /nfs/dbraw/zinc/21/60/85/445216085.db2.gz KXOWNLCANFCAGA-GUDVDZBRSA-N 2 1 348.535 1.489 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343400941 445216086 /nfs/dbraw/zinc/21/60/86/445216086.db2.gz KXOWNLCANFCAGA-GUDVDZBRSA-N 2 1 348.535 1.489 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000345765214 445198618 /nfs/dbraw/zinc/19/86/18/445198618.db2.gz YYZXYJTVFSYYJG-ZOBUZTSGSA-N 2 1 340.512 1.203 20 0 EDADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)ccn1 ZINC000345924825 445202268 /nfs/dbraw/zinc/20/22/68/445202268.db2.gz RWWWTQHTNLCLFE-YOEHRIQHSA-N 2 1 342.447 1.750 20 0 EDADMP Cn1nccc1[C@H]1[C@H]([NH2+]CCC[NH+]2CCCCC2)CC(=O)N1C1CC1 ZINC000346701571 445223874 /nfs/dbraw/zinc/22/38/74/445223874.db2.gz BGWFJHKJZDTBKZ-VQIMIIECSA-N 2 1 345.491 1.690 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)CC1 ZINC000343549862 445242552 /nfs/dbraw/zinc/24/25/52/445242552.db2.gz MBHPZYPXSGKQIG-APWZRJJASA-N 2 1 345.487 1.876 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC([NH+](C)Cc3ccccc3)C2)C1 ZINC000351770948 445315320 /nfs/dbraw/zinc/31/53/20/445315320.db2.gz RHQPQLKQSHLWDF-QGZVFWFLSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CCC[C@@H](NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)C1 ZINC000351770948 445315323 /nfs/dbraw/zinc/31/53/23/445315323.db2.gz RHQPQLKQSHLWDF-QGZVFWFLSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CCC[C@@H](NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000351770948 445315326 /nfs/dbraw/zinc/31/53/26/445315326.db2.gz RHQPQLKQSHLWDF-QGZVFWFLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@H+]1CCCC[C@@H]1C ZINC000348206442 445315647 /nfs/dbraw/zinc/31/56/47/445315647.db2.gz OZMHMUALYCPVGS-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000351719706 445290781 /nfs/dbraw/zinc/29/07/81/445290781.db2.gz SEKMWGYZDGMGAR-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP CC[C@H](C(=O)N1CCO[C@H]2CC[NH+](C)C[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000348589185 445333970 /nfs/dbraw/zinc/33/39/70/445333970.db2.gz QVFOISFFLUVKCP-QRVBRYPASA-N 2 1 345.487 1.829 20 0 EDADMP CC[C@H](C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21)[NH+](C)Cc1ccccc1 ZINC000348589185 445333974 /nfs/dbraw/zinc/33/39/74/445333974.db2.gz QVFOISFFLUVKCP-QRVBRYPASA-N 2 1 345.487 1.829 20 0 EDADMP CC[C@H](C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21)[NH+](C)Cc1ccccc1 ZINC000348589185 445333977 /nfs/dbraw/zinc/33/39/77/445333977.db2.gz QVFOISFFLUVKCP-QRVBRYPASA-N 2 1 345.487 1.829 20 0 EDADMP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351865431 445347660 /nfs/dbraw/zinc/34/76/60/445347660.db2.gz MTMIENQERSPILB-ZJIFWQFVSA-N 2 1 347.459 1.342 20 0 EDADMP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351865431 445347663 /nfs/dbraw/zinc/34/76/63/445347663.db2.gz MTMIENQERSPILB-ZJIFWQFVSA-N 2 1 347.459 1.342 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000351879038 445351518 /nfs/dbraw/zinc/35/15/18/445351518.db2.gz IPQJKVKSCGQZQN-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000362523477 445423653 /nfs/dbraw/zinc/42/36/53/445423653.db2.gz FCHRIAOUWHACAN-LPHOPBHVSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000362523477 445423657 /nfs/dbraw/zinc/42/36/57/445423657.db2.gz FCHRIAOUWHACAN-LPHOPBHVSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000362523477 445423662 /nfs/dbraw/zinc/42/36/62/445423662.db2.gz FCHRIAOUWHACAN-LPHOPBHVSA-N 2 1 344.503 1.248 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)C[C@@H](C)[C@H]2C)C1 ZINC000355781472 445477945 /nfs/dbraw/zinc/47/79/45/445477945.db2.gz CTQMTBHUBLAKQN-BRSBDYLESA-N 2 1 339.524 1.826 20 0 EDADMP CC(C)[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000357207128 445481619 /nfs/dbraw/zinc/48/16/19/445481619.db2.gz YCHHNPSDUZBNLB-RBUKOAKNSA-N 2 1 345.487 1.564 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362554604 445436845 /nfs/dbraw/zinc/43/68/45/445436845.db2.gz YXCUGMCJWCSPJY-KBPBESRZSA-N 2 1 333.480 1.727 20 0 EDADMP CC[C@@H]1C[C@H](C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000348937336 445447994 /nfs/dbraw/zinc/44/79/94/445447994.db2.gz VWKWQRBFEKJZBI-SJLPKXTDSA-N 2 1 337.508 1.678 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000359857848 445462797 /nfs/dbraw/zinc/46/27/97/445462797.db2.gz PIEHZQKXPZYGON-LSDHHAIUSA-N 2 1 336.480 1.561 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CCOC3C[NH2+]C3)c2)C[C@H](C)O1 ZINC000348988645 445467113 /nfs/dbraw/zinc/46/71/13/445467113.db2.gz BOKJULNHCCUQLO-GASCZTMLSA-N 2 1 347.459 1.613 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CCOC3C[NH2+]C3)c2)C[C@H](C)O1 ZINC000348988645 445467117 /nfs/dbraw/zinc/46/71/17/445467117.db2.gz BOKJULNHCCUQLO-GASCZTMLSA-N 2 1 347.459 1.613 20 0 EDADMP COC[C@@]1(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CCC[NH2+]1 ZINC000357250398 445507753 /nfs/dbraw/zinc/50/77/53/445507753.db2.gz ATAWSVTYQQDAGJ-RDJZCZTQSA-N 2 1 339.867 1.828 20 0 EDADMP COC[C@]1(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CCC[NH2+]1 ZINC000357250396 445507776 /nfs/dbraw/zinc/50/77/76/445507776.db2.gz ATAWSVTYQQDAGJ-DOTOQJQBSA-N 2 1 339.867 1.828 20 0 EDADMP COCc1ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000362709769 445512467 /nfs/dbraw/zinc/51/24/67/445512467.db2.gz FYCOFDFRFFYHOP-KRWDZBQOSA-N 2 1 331.460 1.731 20 0 EDADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000357304339 445536963 /nfs/dbraw/zinc/53/69/63/445536963.db2.gz HYEYLZXOAILZSD-MSOLQXFVSA-N 2 1 349.475 1.523 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@]23C[NH2+]C[C@H]2CCCC3)CC1 ZINC000357240035 445500695 /nfs/dbraw/zinc/50/06/95/445500695.db2.gz LCKNUTNDVLVJLB-IEBWSBKVSA-N 2 1 336.524 1.300 20 0 EDADMP O=C1CNCCN1[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000362697677 445505750 /nfs/dbraw/zinc/50/57/50/445505750.db2.gz LEPJIGVOJZAUAJ-SFHVURJKSA-N 2 1 339.443 1.269 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000357809019 445584230 /nfs/dbraw/zinc/58/42/30/445584230.db2.gz RPNVJPPDIFJVFJ-JKSUJKDBSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C(C)C)C1 ZINC000358157248 445607931 /nfs/dbraw/zinc/60/79/31/445607931.db2.gz HDKAZAKKAHKEPF-HOTGVXAUSA-N 2 1 328.501 1.371 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000358157248 445607937 /nfs/dbraw/zinc/60/79/37/445607937.db2.gz HDKAZAKKAHKEPF-HOTGVXAUSA-N 2 1 328.501 1.371 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000358157248 445607940 /nfs/dbraw/zinc/60/79/40/445607940.db2.gz HDKAZAKKAHKEPF-HOTGVXAUSA-N 2 1 328.501 1.371 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000362926682 445613426 /nfs/dbraw/zinc/61/34/26/445613426.db2.gz RWYZDNXGLJGWFZ-RYQLBKOJSA-N 2 1 334.508 1.985 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C(=O)NC)[C@@H](C)C1 ZINC000358235010 445613753 /nfs/dbraw/zinc/61/37/53/445613753.db2.gz HRUZBZZYYIQZKO-VVLHAWIVSA-N 2 1 325.497 1.628 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000353507239 445634909 /nfs/dbraw/zinc/63/49/09/445634909.db2.gz LEQJFKCEGLPFMI-CYBMUJFWSA-N 2 1 339.402 1.617 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000357975986 445597096 /nfs/dbraw/zinc/59/70/96/445597096.db2.gz PJKNIWLOKMRSEZ-DLBZAZTESA-N 2 1 341.544 1.290 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000357975986 445597098 /nfs/dbraw/zinc/59/70/98/445597098.db2.gz PJKNIWLOKMRSEZ-DLBZAZTESA-N 2 1 341.544 1.290 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000357975986 445597102 /nfs/dbraw/zinc/59/71/02/445597102.db2.gz PJKNIWLOKMRSEZ-DLBZAZTESA-N 2 1 341.544 1.290 20 0 EDADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353550256 445652839 /nfs/dbraw/zinc/65/28/39/445652839.db2.gz HDFSKSSWYFHBCB-UONOGXRCSA-N 2 1 327.469 1.284 20 0 EDADMP CCC[N@H+](C)CC(=O)NCc1cccc(C[NH+]2CCO[C@@H](C)C2)c1 ZINC000358569848 445655902 /nfs/dbraw/zinc/65/59/02/445655902.db2.gz XOZIOEHOFNUTKI-INIZCTEOSA-N 2 1 333.476 1.865 20 0 EDADMP CCC[N@@H+](C)CC(=O)NCc1cccc(C[NH+]2CCO[C@@H](C)C2)c1 ZINC000358569848 445655905 /nfs/dbraw/zinc/65/59/05/445655905.db2.gz XOZIOEHOFNUTKI-INIZCTEOSA-N 2 1 333.476 1.865 20 0 EDADMP CCC[NH+](C)CC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000358569848 445655911 /nfs/dbraw/zinc/65/59/11/445655911.db2.gz XOZIOEHOFNUTKI-INIZCTEOSA-N 2 1 333.476 1.865 20 0 EDADMP CCC[NH+](C)CC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000358569848 445655916 /nfs/dbraw/zinc/65/59/16/445655916.db2.gz XOZIOEHOFNUTKI-INIZCTEOSA-N 2 1 333.476 1.865 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC([NH+](C)Cc3ccccc3)C2)CC[N@H+]1C ZINC000353710476 445719459 /nfs/dbraw/zinc/71/94/59/445719459.db2.gz NUYOZYRIDJCPOA-DOTOQJQBSA-N 2 1 330.476 1.995 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CC[NH+]1C ZINC000353710476 445719462 /nfs/dbraw/zinc/71/94/62/445719462.db2.gz NUYOZYRIDJCPOA-DOTOQJQBSA-N 2 1 330.476 1.995 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CC[NH+]1C ZINC000353710476 445719463 /nfs/dbraw/zinc/71/94/63/445719463.db2.gz NUYOZYRIDJCPOA-DOTOQJQBSA-N 2 1 330.476 1.995 20 0 EDADMP CCc1ccc([C@@H](CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000358691350 445719930 /nfs/dbraw/zinc/71/99/30/445719930.db2.gz YPJHNBITPRZXAR-IEBWSBKVSA-N 2 1 348.491 1.218 20 0 EDADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358678122 445711387 /nfs/dbraw/zinc/71/13/87/445711387.db2.gz GBJRMXOOQBTCJD-IBGZPJMESA-N 2 1 348.491 1.394 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000358708700 445732658 /nfs/dbraw/zinc/73/26/58/445732658.db2.gz QRCZMHGBDNFCIX-WBVHZDCISA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000361267929 445757297 /nfs/dbraw/zinc/75/72/97/445757297.db2.gz CKTLYPFQUHORTE-QRVBRYPASA-N 3 1 338.540 1.103 20 0 EDADMP C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000361267929 445757298 /nfs/dbraw/zinc/75/72/98/445757298.db2.gz CKTLYPFQUHORTE-QRVBRYPASA-N 2 1 338.540 1.103 20 0 EDADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCn3cccn3)CC2)C[C@@H](C)O1 ZINC000358868574 445821466 /nfs/dbraw/zinc/82/14/66/445821466.db2.gz ZDLATOBJXPULRT-IAGOWNOFSA-N 2 1 336.480 1.473 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000356509906 445832006 /nfs/dbraw/zinc/83/20/06/445832006.db2.gz UYVDNMGBEKFOEY-CVEARBPZSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CC)CCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000369109083 445934988 /nfs/dbraw/zinc/93/49/88/445934988.db2.gz QADPQQVYDJMDIM-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000359060746 445919667 /nfs/dbraw/zinc/91/96/67/445919667.db2.gz URQZDSFXARDAHV-SJORKVTESA-N 2 1 342.528 1.907 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000359060746 445919673 /nfs/dbraw/zinc/91/96/73/445919673.db2.gz URQZDSFXARDAHV-SJORKVTESA-N 2 1 342.528 1.907 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000359060746 445919679 /nfs/dbraw/zinc/91/96/79/445919679.db2.gz URQZDSFXARDAHV-SJORKVTESA-N 2 1 342.528 1.907 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C ZINC000354165079 445963082 /nfs/dbraw/zinc/96/30/82/445963082.db2.gz DIMCNZLINWUYSO-LJQANCHMSA-N 2 1 348.491 1.981 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C ZINC000354165079 445963089 /nfs/dbraw/zinc/96/30/89/445963089.db2.gz DIMCNZLINWUYSO-LJQANCHMSA-N 2 1 348.491 1.981 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1C ZINC000354165079 445963094 /nfs/dbraw/zinc/96/30/94/445963094.db2.gz DIMCNZLINWUYSO-LJQANCHMSA-N 2 1 348.491 1.981 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000354165079 445963099 /nfs/dbraw/zinc/96/30/99/445963099.db2.gz DIMCNZLINWUYSO-LJQANCHMSA-N 2 1 348.491 1.981 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H]3CC[NH+](C)[C@H]3C2)CCCO1 ZINC000372965932 445948287 /nfs/dbraw/zinc/94/82/87/445948287.db2.gz FDVBHQJXWONJLF-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[N@H+](C)C2CC2)C[C@@H](C)O1 ZINC000369245639 446017251 /nfs/dbraw/zinc/01/72/51/446017251.db2.gz ZIGAMSRKAGGLMJ-INMHGKMJSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[N@@H+](C)C2CC2)C[C@@H](C)O1 ZINC000369245639 446017255 /nfs/dbraw/zinc/01/72/55/446017255.db2.gz ZIGAMSRKAGGLMJ-INMHGKMJSA-N 2 1 338.496 1.364 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000354224701 446021793 /nfs/dbraw/zinc/02/17/93/446021793.db2.gz OSZODRDVIDNDGK-CRAIPNDOSA-N 2 1 336.524 1.534 20 0 EDADMP C[C@@H](NC(=O)N(C)CCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583311670 326046803 /nfs/dbraw/zinc/04/68/03/326046803.db2.gz CNNHQTUVQGFASA-NVXWUHKLSA-N 2 1 334.464 1.266 20 0 EDADMP C[C@@H](NC(=O)N(C)CCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583311670 326046805 /nfs/dbraw/zinc/04/68/05/326046805.db2.gz CNNHQTUVQGFASA-NVXWUHKLSA-N 2 1 334.464 1.266 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000583563093 326096778 /nfs/dbraw/zinc/09/67/78/326096778.db2.gz CDNKJIGPRRFCGL-GOSISDBHSA-N 2 1 345.487 1.690 20 0 EDADMP Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C(C)C)n1 ZINC000365180495 446068817 /nfs/dbraw/zinc/06/88/17/446068817.db2.gz CCGGGWYAGOQKEM-OAHLLOKOSA-N 2 1 345.491 1.807 20 0 EDADMP Cc1ncc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C(C)C)n1 ZINC000365180495 446068820 /nfs/dbraw/zinc/06/88/20/446068820.db2.gz CCGGGWYAGOQKEM-OAHLLOKOSA-N 2 1 345.491 1.807 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC000356890058 446098314 /nfs/dbraw/zinc/09/83/14/446098314.db2.gz BPGAYSJRTDGEGY-IXDOHACOSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC000356890058 446098319 /nfs/dbraw/zinc/09/83/19/446098319.db2.gz BPGAYSJRTDGEGY-IXDOHACOSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC000356890058 446098325 /nfs/dbraw/zinc/09/83/25/446098325.db2.gz BPGAYSJRTDGEGY-IXDOHACOSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC000356890058 446098332 /nfs/dbraw/zinc/09/83/32/446098332.db2.gz BPGAYSJRTDGEGY-IXDOHACOSA-N 2 1 337.508 1.555 20 0 EDADMP CN1CCC([NH+]2CCC(NC(=O)NCC3=CC[N@@H+](C)CC3)CC2)CC1 ZINC000373227441 446105281 /nfs/dbraw/zinc/10/52/81/446105281.db2.gz JQEAIYUSTIMFAP-UHFFFAOYSA-N 2 1 349.523 1.106 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1)C1CC1 ZINC000351572295 446169807 /nfs/dbraw/zinc/16/98/07/446169807.db2.gz DISIFDRDILMPNS-ROUUACIJSA-N 2 1 349.519 1.556 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1)C1CC1 ZINC000351572295 446169813 /nfs/dbraw/zinc/16/98/13/446169813.db2.gz DISIFDRDILMPNS-ROUUACIJSA-N 2 1 349.519 1.556 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCC[NH2+]3)[C@H](C)C2)s1 ZINC000366319819 446148059 /nfs/dbraw/zinc/14/80/59/446148059.db2.gz CJHOBOKJIUUQII-UHOFOFEASA-N 2 1 336.505 1.920 20 0 EDADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366496097 446237602 /nfs/dbraw/zinc/23/76/02/446237602.db2.gz IFYPXQNDFREYII-IIDMSEBBSA-N 2 1 336.480 1.419 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)NC1CC[NH+](C)CC1 ZINC000373544270 446254863 /nfs/dbraw/zinc/25/48/63/446254863.db2.gz ICPLYIYGBIOIFV-WMZOPIPTSA-N 2 1 345.491 1.810 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000373624211 446284907 /nfs/dbraw/zinc/28/49/07/446284907.db2.gz HZGQQMLGIFYWEY-OYNZLANYSA-N 2 1 337.508 1.850 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000373624211 446284908 /nfs/dbraw/zinc/28/49/08/446284908.db2.gz HZGQQMLGIFYWEY-OYNZLANYSA-N 2 1 337.508 1.850 20 0 EDADMP COC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000373688776 446303721 /nfs/dbraw/zinc/30/37/21/446303721.db2.gz WUZXGJWDCRLPRN-MSOLQXFVSA-N 2 1 325.497 1.188 20 0 EDADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)C[C@H]21 ZINC000362281909 446303788 /nfs/dbraw/zinc/30/37/88/446303788.db2.gz LGLLMEUXORJYQT-GUDVDZBRSA-N 2 1 343.471 1.440 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)C[C@H]21 ZINC000362281909 446303791 /nfs/dbraw/zinc/30/37/91/446303791.db2.gz LGLLMEUXORJYQT-GUDVDZBRSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@H]21 ZINC000362281909 446303796 /nfs/dbraw/zinc/30/37/96/446303796.db2.gz LGLLMEUXORJYQT-GUDVDZBRSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@H]21 ZINC000362281909 446303802 /nfs/dbraw/zinc/30/38/02/446303802.db2.gz LGLLMEUXORJYQT-GUDVDZBRSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000417500375 446356114 /nfs/dbraw/zinc/35/61/14/446356114.db2.gz IKFRHMAFBACSPU-OALUTQOASA-N 2 1 344.503 1.802 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000417668599 446369244 /nfs/dbraw/zinc/36/92/44/446369244.db2.gz JTOZXSDMIXTVNF-XHSDSOJGSA-N 2 1 328.501 1.421 20 0 EDADMP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000370676291 446382442 /nfs/dbraw/zinc/38/24/42/446382442.db2.gz IXQXWFIWVWGSIB-XWTMOSNGSA-N 2 1 328.497 1.499 20 0 EDADMP [NH3+]CCCN(CC1CCCC1)c1nc(N[C@H]2CCCOC2)cc[nH+]1 ZINC000420249177 446432327 /nfs/dbraw/zinc/43/23/27/446432327.db2.gz IVWRTDVZLJJSKW-INIZCTEOSA-N 2 1 333.480 2.413 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H](CN[C@H]3CC[NH2+]C3)C3(C2)CCOCC3)cc1 ZINC000423129187 446433579 /nfs/dbraw/zinc/43/35/79/446433579.db2.gz DZXBJKQFRQWTAV-MOPGFXCFSA-N 2 1 329.488 1.867 20 0 EDADMP CC(C)(C)c1cc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)no1 ZINC000420286834 446452619 /nfs/dbraw/zinc/45/26/19/446452619.db2.gz FTEKPAVYIKLQEF-AWEZNQCLSA-N 2 1 334.464 1.616 20 0 EDADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)no1 ZINC000420286834 446452625 /nfs/dbraw/zinc/45/26/25/446452625.db2.gz FTEKPAVYIKLQEF-AWEZNQCLSA-N 2 1 334.464 1.616 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CCCO[C@H](C[NH3+])C2)cc[nH+]1 ZINC000420282200 446449820 /nfs/dbraw/zinc/44/98/20/446449820.db2.gz MRRJKCBXTYGFMX-INMHGKMJSA-N 2 1 349.479 1.646 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)NCCC[NH3+])CC[N@H+]2C2CC2)c1 ZINC000417983946 446406460 /nfs/dbraw/zinc/40/64/60/446406460.db2.gz FXSONOGDLSDQPG-IAGOWNOFSA-N 2 1 332.448 1.621 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)NCCC[NH3+])CC[N@H+]2C2CC2)c1 ZINC000417983951 446407212 /nfs/dbraw/zinc/40/72/12/446407212.db2.gz FXSONOGDLSDQPG-SJORKVTESA-N 2 1 332.448 1.621 20 0 EDADMP C[C@H](NC(=O)N1CC[NH2+]C[C@](C)(F)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417988808 446408929 /nfs/dbraw/zinc/40/89/29/446408929.db2.gz IVOOLWUZWVCORR-DAYGRLMNSA-N 2 1 340.487 1.982 20 0 EDADMP C[C@H](NC(=O)N1CC[NH2+]C[C@](C)(F)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417988808 446408932 /nfs/dbraw/zinc/40/89/32/446408932.db2.gz IVOOLWUZWVCORR-DAYGRLMNSA-N 2 1 340.487 1.982 20 0 EDADMP C[C@H](NC(=O)N1CCC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418005328 446413568 /nfs/dbraw/zinc/41/35/68/446413568.db2.gz KXAKPUJPXQYSNY-WMZOPIPTSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000418012439 446415691 /nfs/dbraw/zinc/41/56/91/446415691.db2.gz LXTLCYQYBDOOGD-ONIAQPFYSA-N 2 1 330.476 1.886 20 0 EDADMP C[N@H+](CCOc1ccc(Cl)c(F)c1)CC(=O)N1CC[NH2+]CC1 ZINC000420291777 446456467 /nfs/dbraw/zinc/45/64/67/446456467.db2.gz KTOKNCVRGQIUEM-UHFFFAOYSA-N 2 1 329.803 1.222 20 0 EDADMP C[N@@H+](CCOc1ccc(Cl)c(F)c1)CC(=O)N1CC[NH2+]CC1 ZINC000420291777 446456474 /nfs/dbraw/zinc/45/64/74/446456474.db2.gz KTOKNCVRGQIUEM-UHFFFAOYSA-N 2 1 329.803 1.222 20 0 EDADMP COc1ccc([C@@H](CO)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420294128 446457125 /nfs/dbraw/zinc/45/71/25/446457125.db2.gz AQIWCKFSQNBDBT-ZCNNSNEGSA-N 2 1 344.455 1.591 20 0 EDADMP COc1ccc([C@@H](CO)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420294128 446457130 /nfs/dbraw/zinc/45/71/30/446457130.db2.gz AQIWCKFSQNBDBT-ZCNNSNEGSA-N 2 1 344.455 1.591 20 0 EDADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000420298901 446460990 /nfs/dbraw/zinc/46/09/90/446460990.db2.gz ADOQAOLYSIPLIG-UHFFFAOYSA-N 2 1 333.432 1.733 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000420306636 446470399 /nfs/dbraw/zinc/47/03/99/446470399.db2.gz QRARKIUMFODZHB-XGUBFFRZSA-N 2 1 332.366 1.305 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000420306636 446470402 /nfs/dbraw/zinc/47/04/02/446470402.db2.gz QRARKIUMFODZHB-XGUBFFRZSA-N 2 1 332.366 1.305 20 0 EDADMP CS(=O)(=O)N(CC[N@@H+]1CCCC[C@H]1CC[NH3+])Cc1ccccc1 ZINC000420314301 446478512 /nfs/dbraw/zinc/47/85/12/446478512.db2.gz KQYRGTGRBQOVBG-KRWDZBQOSA-N 2 1 339.505 1.652 20 0 EDADMP CS(=O)(=O)N(CC[N@H+]1CCCC[C@H]1CC[NH3+])Cc1ccccc1 ZINC000420314301 446478522 /nfs/dbraw/zinc/47/85/22/446478522.db2.gz KQYRGTGRBQOVBG-KRWDZBQOSA-N 2 1 339.505 1.652 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC2([NH3+])CCCCCC2)C[C@H](C)O1 ZINC000418285952 446484170 /nfs/dbraw/zinc/48/41/70/446484170.db2.gz QDFLXMCQHMYJRZ-IYBDPMFKSA-N 2 1 340.512 1.789 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCC2([NH3+])CCCCCC2)C[C@H](C)O1 ZINC000418285952 446484178 /nfs/dbraw/zinc/48/41/78/446484178.db2.gz QDFLXMCQHMYJRZ-IYBDPMFKSA-N 2 1 340.512 1.789 20 0 EDADMP CC(C)[N@H+]1CCc2nc(CN3CCC[C@@H](CC(N)=O)C3)sc2C1 ZINC000374961192 446484197 /nfs/dbraw/zinc/48/41/97/446484197.db2.gz HSAAEOHSFKUIHU-ZDUSSCGKSA-N 2 1 336.505 1.997 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420319908 446485420 /nfs/dbraw/zinc/48/54/20/446485420.db2.gz AXDKDHRJNXZAPP-ZWKOTPCHSA-N 2 1 345.487 1.771 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420325860 446493473 /nfs/dbraw/zinc/49/34/73/446493473.db2.gz BWUUXKBLSSAYIA-IYBDPMFKSA-N 2 1 341.455 1.994 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000423338471 446494740 /nfs/dbraw/zinc/49/47/40/446494740.db2.gz RSMJZCMMDQYAIK-YOEHRIQHSA-N 2 1 347.459 1.425 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCc1ccc2c(c1)OCO2 ZINC000420339512 446509712 /nfs/dbraw/zinc/50/97/12/446509712.db2.gz LXHJTXJQHCMGNR-JKSUJKDBSA-N 2 1 345.443 1.353 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418359250 446513654 /nfs/dbraw/zinc/51/36/54/446513654.db2.gz ZTOGACNQGOTIQP-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328831 446497698 /nfs/dbraw/zinc/49/76/98/446497698.db2.gz NBSGFHZBXDSUGH-SJLPKXTDSA-N 2 1 345.487 1.893 20 0 EDADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328831 446497703 /nfs/dbraw/zinc/49/77/03/446497703.db2.gz NBSGFHZBXDSUGH-SJLPKXTDSA-N 2 1 345.487 1.893 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418323386 446497761 /nfs/dbraw/zinc/49/77/61/446497761.db2.gz UTENYIRWHALUBV-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCc1cc(F)cc(F)c1 ZINC000420329726 446498871 /nfs/dbraw/zinc/49/88/71/446498871.db2.gz OVOOHIXTJXLLGX-LSDHHAIUSA-N 2 1 337.414 1.903 20 0 EDADMP COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000367545194 446560131 /nfs/dbraw/zinc/56/01/31/446560131.db2.gz SYUZOVPLSODILC-IRXDYDNUSA-N 2 1 325.497 1.674 20 0 EDADMP COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000367545194 446560135 /nfs/dbraw/zinc/56/01/35/446560135.db2.gz SYUZOVPLSODILC-IRXDYDNUSA-N 2 1 325.497 1.674 20 0 EDADMP C[C@H](C1CC1)N(C(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)C1CC1 ZINC000420385459 446560872 /nfs/dbraw/zinc/56/08/72/446560872.db2.gz GWVCQRHCAMUELC-OLMNPRSZSA-N 2 1 347.503 1.476 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420345744 446518965 /nfs/dbraw/zinc/51/89/65/446518965.db2.gz WNQNNFNDOAGYFH-JKSUJKDBSA-N 2 1 344.459 1.436 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423403587 446519652 /nfs/dbraw/zinc/51/96/52/446519652.db2.gz YPOCYBPFNJTGFI-IAGOWNOFSA-N 2 1 333.476 1.940 20 0 EDADMP Cc1sc(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C)c1C ZINC000420347454 446522594 /nfs/dbraw/zinc/52/25/94/446522594.db2.gz GSANKLBNSGOZCV-HNNXBMFYSA-N 2 1 336.505 1.591 20 0 EDADMP Cc1sc(NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C)c1C ZINC000420347454 446522600 /nfs/dbraw/zinc/52/26/00/446522600.db2.gz GSANKLBNSGOZCV-HNNXBMFYSA-N 2 1 336.505 1.591 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423417020 446525132 /nfs/dbraw/zinc/52/51/32/446525132.db2.gz GGFNPXBWCSRLPQ-LASHMREHSA-N 2 1 329.488 1.600 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000418394497 446525975 /nfs/dbraw/zinc/52/59/75/446525975.db2.gz ZMKFQMAUCCTBQZ-BBWFWOEESA-N 2 1 333.480 1.699 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423428336 446532669 /nfs/dbraw/zinc/53/26/69/446532669.db2.gz GMEQNUPRGCWALY-JKSUJKDBSA-N 2 1 347.507 1.834 20 0 EDADMP CC(C)[C@@H](C[NH3+])C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000433151844 446538729 /nfs/dbraw/zinc/53/87/29/446538729.db2.gz PENFIKFPUDAXQY-HLLBOEOZSA-N 2 1 325.497 1.565 20 0 EDADMP CC[C@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000418450646 446547506 /nfs/dbraw/zinc/54/75/06/446547506.db2.gz LVJUDDHFJNFFDR-IRXDYDNUSA-N 2 1 334.464 1.439 20 0 EDADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000453126527 446547520 /nfs/dbraw/zinc/54/75/20/446547520.db2.gz PDDVFPOMDMCEBV-YVWKXTFCSA-N 2 1 340.471 1.880 20 0 EDADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000453126527 446547525 /nfs/dbraw/zinc/54/75/25/446547525.db2.gz PDDVFPOMDMCEBV-YVWKXTFCSA-N 2 1 340.471 1.880 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000418501705 446567868 /nfs/dbraw/zinc/56/78/68/446567868.db2.gz RXGDGPHSKCBODY-KRWDZBQOSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000418460677 446552102 /nfs/dbraw/zinc/55/21/02/446552102.db2.gz KOPQQWPKBCRQQV-RHSMWYFYSA-N 2 1 334.464 1.352 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)CC1 ZINC000375059964 446554034 /nfs/dbraw/zinc/55/40/34/446554034.db2.gz KZWKTBXFWQJTMT-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000420379372 446554604 /nfs/dbraw/zinc/55/46/04/446554604.db2.gz VMEDAKNHYGFWBS-CQSZACIVSA-N 2 1 329.452 1.025 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000418467705 446555366 /nfs/dbraw/zinc/55/53/66/446555366.db2.gz OZDOYQBXNBJCTJ-HNNXBMFYSA-N 2 1 328.501 1.504 20 0 EDADMP COC[C@@]1(CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCC[NH2+]1 ZINC000418627396 446620224 /nfs/dbraw/zinc/62/02/24/446620224.db2.gz AYOXISSYEIJXDU-WBVHZDCISA-N 2 1 326.485 1.271 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)C3CCCCC3)CC2)C1 ZINC000376550972 446569302 /nfs/dbraw/zinc/56/93/02/446569302.db2.gz IIEMEOQIEAPESW-MOPGFXCFSA-N 2 1 339.524 1.266 20 0 EDADMP CC[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)C3CCCCC3)CC2)C1 ZINC000376550972 446569305 /nfs/dbraw/zinc/56/93/05/446569305.db2.gz IIEMEOQIEAPESW-MOPGFXCFSA-N 2 1 339.524 1.266 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCC[NH3+] ZINC000418517615 446576753 /nfs/dbraw/zinc/57/67/53/446576753.db2.gz ZPIXALNKBJHRLM-GOSISDBHSA-N 2 1 334.464 1.004 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)[N@@H+](C)Cc1ccccc1 ZINC000375166621 446618714 /nfs/dbraw/zinc/61/87/14/446618714.db2.gz KADHQXMCOOQOQC-INIZCTEOSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418549081 446589849 /nfs/dbraw/zinc/58/98/49/446589849.db2.gz SMVLSTPFKHRGAP-WMZOPIPTSA-N 2 1 330.476 1.759 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000418579477 446602288 /nfs/dbraw/zinc/60/22/88/446602288.db2.gz JYTZCGMSVLDROL-CABCVRRESA-N 2 1 336.505 1.888 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC[N@H+]1CCOC ZINC000418590080 446604688 /nfs/dbraw/zinc/60/46/88/446604688.db2.gz JHNSKGHLSWLULG-JKSUJKDBSA-N 2 1 326.485 1.256 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)[N@@H+](C)C1 ZINC000418666287 446640439 /nfs/dbraw/zinc/64/04/39/446640439.db2.gz FTYZDELXEUCLJV-BZSNNMDCSA-N 2 1 348.491 1.827 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418690496 446648297 /nfs/dbraw/zinc/64/82/97/446648297.db2.gz XFBSOHOCWDOOKN-XOYOTBSWSA-N 2 1 328.460 1.620 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000418691150 446648537 /nfs/dbraw/zinc/64/85/37/446648537.db2.gz QHMFVUWDDNCVMR-DJIMGWMZSA-N 2 1 334.464 1.048 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000418754914 446673803 /nfs/dbraw/zinc/67/38/03/446673803.db2.gz IBUYOJPLYMJXPJ-KGLIPLIRSA-N 2 1 330.423 1.357 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3cnccn3)CC2)CC1 ZINC000371092533 446623430 /nfs/dbraw/zinc/62/34/30/446623430.db2.gz FUVZGXFAKPPXPP-UHFFFAOYSA-N 2 1 331.464 1.403 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[NH2+]C ZINC000418632675 446623666 /nfs/dbraw/zinc/62/36/66/446623666.db2.gz WCWJKDKHXYFERJ-RDJZCZTQSA-N 2 1 333.480 1.685 20 0 EDADMP CCC[N@H+](C)C[C@H]1CCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000435338859 446688577 /nfs/dbraw/zinc/68/85/77/446688577.db2.gz KRCHPHLHYFSUPS-HZPDHXFCSA-N 2 1 333.480 2.236 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000435338859 446688582 /nfs/dbraw/zinc/68/85/82/446688582.db2.gz KRCHPHLHYFSUPS-HZPDHXFCSA-N 2 1 333.480 2.236 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000423750486 446679691 /nfs/dbraw/zinc/67/96/91/446679691.db2.gz DNTDRKNANQHZQJ-MANSERQUSA-N 2 1 348.535 1.536 20 0 EDADMP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423905143 446755433 /nfs/dbraw/zinc/75/54/33/446755433.db2.gz OXKFWDLWOPVVPQ-GUDVDZBRSA-N 2 1 343.471 1.488 20 0 EDADMP O[C@@H](C[NH+]1CCC[C@@H]1[C@@H]1CCCO1)C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375372827 446755960 /nfs/dbraw/zinc/75/59/60/446755960.db2.gz GOBJHLRTRGWFTN-PJVZLEMVSA-N 2 1 338.492 1.634 20 0 EDADMP O[C@H](C[NH+]1CCC[C@H]1[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375372827 446755971 /nfs/dbraw/zinc/75/59/71/446755971.db2.gz GOBJHLRTRGWFTN-PJVZLEMVSA-N 2 1 338.492 1.634 20 0 EDADMP O[C@H](C[NH+]1CCC[C@H]1[C@@H]1CCCO1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375372827 446755980 /nfs/dbraw/zinc/75/59/80/446755980.db2.gz GOBJHLRTRGWFTN-PJVZLEMVSA-N 2 1 338.492 1.634 20 0 EDADMP C[NH2+][C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cnn(C)c1 ZINC000423910098 446759721 /nfs/dbraw/zinc/75/97/21/446759721.db2.gz UQIKUVXKBIMPNU-XKQJLSEDSA-N 2 1 331.464 1.156 20 0 EDADMP CN(C(=O)NC1CCC(O)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375382688 446760584 /nfs/dbraw/zinc/76/05/84/446760584.db2.gz YSVVHAVHMATZJF-ARWYELJZSA-N 2 1 338.496 1.100 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000423910800 446760812 /nfs/dbraw/zinc/76/08/12/446760812.db2.gz HIGMSRMDUZNFKX-KBXCAEBGSA-N 2 1 331.464 1.285 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000418874088 446766079 /nfs/dbraw/zinc/76/60/79/446766079.db2.gz ZBBJFEHXAUGAQD-CABCVRRESA-N 2 1 340.512 1.117 20 0 EDADMP [NH3+]C[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000423955868 446798466 /nfs/dbraw/zinc/79/84/66/446798466.db2.gz LHECMADNSCMDOL-RBUKOAKNSA-N 2 1 345.487 1.911 20 0 EDADMP [NH3+]C[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000423955868 446798469 /nfs/dbraw/zinc/79/84/69/446798469.db2.gz LHECMADNSCMDOL-RBUKOAKNSA-N 2 1 345.487 1.911 20 0 EDADMP C[N@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000376973414 446833428 /nfs/dbraw/zinc/83/34/28/446833428.db2.gz VTUZHHLWGXFDSE-ZBFHGGJFSA-N 2 1 330.407 1.613 20 0 EDADMP C[N@@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000376973414 446833431 /nfs/dbraw/zinc/83/34/31/446833431.db2.gz VTUZHHLWGXFDSE-ZBFHGGJFSA-N 2 1 330.407 1.613 20 0 EDADMP [NH3+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000424058768 446834508 /nfs/dbraw/zinc/83/45/08/446834508.db2.gz NUDTXINEPXXKGG-QGZVFWFLSA-N 2 1 331.460 1.353 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438886952 446802959 /nfs/dbraw/zinc/80/29/59/446802959.db2.gz YPAHNOGGYRPJNK-RDJZCZTQSA-N 2 1 344.459 1.265 20 0 EDADMP COC(=O)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC000420925267 446894919 /nfs/dbraw/zinc/89/49/19/446894919.db2.gz VOEFVZBVWDAEDE-QAPCUYQASA-N 2 1 332.444 1.902 20 0 EDADMP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC000420925267 446894923 /nfs/dbraw/zinc/89/49/23/446894923.db2.gz VOEFVZBVWDAEDE-QAPCUYQASA-N 2 1 332.444 1.902 20 0 EDADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[N@H+](C)C4)C[C@@H]21 ZINC000371504134 446898918 /nfs/dbraw/zinc/89/89/18/446898918.db2.gz CRFUOEQBCFTLPC-GUYCJALGSA-N 2 1 342.443 1.123 20 0 EDADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[N@@H+](C)C4)C[C@@H]21 ZINC000371504134 446898922 /nfs/dbraw/zinc/89/89/22/446898922.db2.gz CRFUOEQBCFTLPC-GUYCJALGSA-N 2 1 342.443 1.123 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)[C@H]4C3)cc2C1 ZINC000371504134 446898926 /nfs/dbraw/zinc/89/89/26/446898926.db2.gz CRFUOEQBCFTLPC-GUYCJALGSA-N 2 1 342.443 1.123 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)[C@H]4C3)cc2C1 ZINC000371504134 446898930 /nfs/dbraw/zinc/89/89/30/446898930.db2.gz CRFUOEQBCFTLPC-GUYCJALGSA-N 2 1 342.443 1.123 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000419080380 446911368 /nfs/dbraw/zinc/91/13/68/446911368.db2.gz PEAOUIRCXUKSFI-HOTGVXAUSA-N 2 1 340.512 1.199 20 0 EDADMP C[C@@H]1CN(CC[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000375593338 446911692 /nfs/dbraw/zinc/91/16/92/446911692.db2.gz XJNQIKLXQZGPPD-QGZVFWFLSA-N 2 1 332.492 1.951 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)CC1 ZINC000375597830 446914564 /nfs/dbraw/zinc/91/45/64/446914564.db2.gz LOSHUZMWYPDXDC-KSZLIROESA-N 2 1 336.524 1.521 20 0 EDADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000368562553 446945909 /nfs/dbraw/zinc/94/59/09/446945909.db2.gz QFHKRLRYAATUCY-LJQANCHMSA-N 2 1 344.503 1.371 20 0 EDADMP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442771163 446961308 /nfs/dbraw/zinc/96/13/08/446961308.db2.gz RESKNBQXASNFNP-KLHDSHLOSA-N 2 1 347.459 1.342 20 0 EDADMP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442771163 446961310 /nfs/dbraw/zinc/96/13/10/446961310.db2.gz RESKNBQXASNFNP-KLHDSHLOSA-N 2 1 347.459 1.342 20 0 EDADMP C[NH2+][C@@H](C(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)c1cnn(C)c1 ZINC000368594907 446968051 /nfs/dbraw/zinc/96/80/51/446968051.db2.gz UYAOALMERHEHKN-NVXWUHKLSA-N 2 1 333.480 1.594 20 0 EDADMP C[NH2+][C@@H](C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1)c1cnn(C)c1 ZINC000368594907 446968055 /nfs/dbraw/zinc/96/80/55/446968055.db2.gz UYAOALMERHEHKN-NVXWUHKLSA-N 2 1 333.480 1.594 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419216783 447014121 /nfs/dbraw/zinc/01/41/21/447014121.db2.gz PVIGTYHLGFTOCW-QGZVFWFLSA-N 2 1 346.475 1.011 20 0 EDADMP CCn1cc(CC[N@H+]2CCCN(Cc3nccn3CC)CC2)cn1 ZINC000375681843 446972611 /nfs/dbraw/zinc/97/26/11/446972611.db2.gz ZMOUCKZIMJQEEA-UHFFFAOYSA-N 2 1 330.480 1.870 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC000454866333 446991502 /nfs/dbraw/zinc/99/15/02/446991502.db2.gz DVUDQUNNGJWDGC-QRVBRYPASA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000454866333 446991508 /nfs/dbraw/zinc/99/15/08/446991508.db2.gz DVUDQUNNGJWDGC-QRVBRYPASA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000454866333 446991514 /nfs/dbraw/zinc/99/15/14/446991514.db2.gz DVUDQUNNGJWDGC-QRVBRYPASA-N 2 1 342.487 1.854 20 0 EDADMP Cc1nccn1CC[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375813341 447071632 /nfs/dbraw/zinc/07/16/32/447071632.db2.gz ZIFGMKCGZJVMPZ-HZPDHXFCSA-N 2 1 336.436 1.561 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000372367315 447050497 /nfs/dbraw/zinc/05/04/97/447050497.db2.gz GIDZRVSWTUXHBP-SFHVURJKSA-N 2 1 344.503 1.506 20 0 EDADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)C2)nc(C)[nH+]1 ZINC000375794558 447055805 /nfs/dbraw/zinc/05/58/05/447055805.db2.gz QCVBBKMOXKDLRG-DZGCQCFKSA-N 2 1 333.480 1.955 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C1CC1 ZINC000372527721 447112273 /nfs/dbraw/zinc/11/22/73/447112273.db2.gz SXRWKIYZDCWQCI-WMZOPIPTSA-N 2 1 345.491 1.858 20 0 EDADMP CC[NH+](CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C1CC1 ZINC000372527721 447112281 /nfs/dbraw/zinc/11/22/81/447112281.db2.gz SXRWKIYZDCWQCI-WMZOPIPTSA-N 2 1 345.491 1.858 20 0 EDADMP CC[NH+](CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C1CC1 ZINC000372527721 447112288 /nfs/dbraw/zinc/11/22/88/447112288.db2.gz SXRWKIYZDCWQCI-WMZOPIPTSA-N 2 1 345.491 1.858 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000413224235 447078322 /nfs/dbraw/zinc/07/83/22/447078322.db2.gz FDJOAKLWLPQKEC-MOPGFXCFSA-N 2 1 344.503 1.944 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000413224235 447078328 /nfs/dbraw/zinc/07/83/28/447078328.db2.gz FDJOAKLWLPQKEC-MOPGFXCFSA-N 2 1 344.503 1.944 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000413224235 447078336 /nfs/dbraw/zinc/07/83/36/447078336.db2.gz FDJOAKLWLPQKEC-MOPGFXCFSA-N 2 1 344.503 1.944 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444167204 447084698 /nfs/dbraw/zinc/08/46/98/447084698.db2.gz DKYKNYHXACKULO-CMKODMSKSA-N 2 1 327.472 1.667 20 0 EDADMP CCCN(CCC)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375906825 447140094 /nfs/dbraw/zinc/14/00/94/447140094.db2.gz QLWJCWLJUCUOTO-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP CCCN(CCC)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375906825 447140100 /nfs/dbraw/zinc/14/01/00/447140100.db2.gz QLWJCWLJUCUOTO-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000419401976 447153114 /nfs/dbraw/zinc/15/31/14/447153114.db2.gz BQONHJYVOWXIEF-OAHLLOKOSA-N 2 1 338.496 1.002 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000419404382 447154075 /nfs/dbraw/zinc/15/40/75/447154075.db2.gz GDGHKTLNWFQFSK-GOEBONIOSA-N 2 1 338.496 1.001 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000425438173 447162628 /nfs/dbraw/zinc/16/26/28/447162628.db2.gz ACWNAMIKFXQKEI-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3)C2)CC1 ZINC000375902512 447134986 /nfs/dbraw/zinc/13/49/86/447134986.db2.gz FRRBZYBRYZNSJK-SFHVURJKSA-N 2 1 330.476 1.386 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@H](C)C1 ZINC000377525922 447180458 /nfs/dbraw/zinc/18/04/58/447180458.db2.gz SXKGCMVBCNKTMU-QBPKDAKJSA-N 2 1 325.497 1.628 20 0 EDADMP CC(C)[NH2+]CCN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377525195 447180662 /nfs/dbraw/zinc/18/06/62/447180662.db2.gz AORGULUVLMUOCA-MRXNPFEDSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000419453391 447186617 /nfs/dbraw/zinc/18/66/17/447186617.db2.gz XSJZRYMGVCCUQD-ZACQAIPSSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419452366 447187467 /nfs/dbraw/zinc/18/74/67/447187467.db2.gz OZXWRFCQAZHOLX-BZUAXINKSA-N 2 1 342.528 1.449 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C ZINC000419456460 447189823 /nfs/dbraw/zinc/18/98/23/447189823.db2.gz ABHYQAPHMLMCKO-YESZJQIVSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H]1[C@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCC[N@H+]1C ZINC000419544427 447255910 /nfs/dbraw/zinc/25/59/10/447255910.db2.gz HRIBTCTXVCACIF-GOEBONIOSA-N 2 1 338.496 1.014 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC000419486433 447216752 /nfs/dbraw/zinc/21/67/52/447216752.db2.gz XRRCZCFHPHTCDY-BZUAXINKSA-N 2 1 338.496 1.014 20 0 EDADMP CC[NH+](CC)CCSCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000372677170 447219806 /nfs/dbraw/zinc/21/98/06/447219806.db2.gz XOOUFJQKIHAOAF-MRXNPFEDSA-N 2 1 345.553 1.534 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[NH+]1CCOCC1 ZINC000377590484 447228760 /nfs/dbraw/zinc/22/87/60/447228760.db2.gz XUZLQDLBMMZDLF-DJIMGWMZSA-N 2 1 325.497 1.628 20 0 EDADMP OC[C@@H]1CCCC[NH+](CCOCC[N@@H+]2CCCC[C@H](CO)C2)C1 ZINC000372704076 447235098 /nfs/dbraw/zinc/23/50/98/447235098.db2.gz QYGOBPAXMOLVLQ-HDICACEKSA-N 2 1 328.497 1.192 20 0 EDADMP OC[C@@H]1CCCC[N@@H+](CCOCC[NH+]2CCCC[C@H](CO)C2)C1 ZINC000372704076 447235104 /nfs/dbraw/zinc/23/51/04/447235104.db2.gz QYGOBPAXMOLVLQ-HDICACEKSA-N 2 1 328.497 1.192 20 0 EDADMP OC[C@@H]1CCCC[N@H+](CCOCC[NH+]2CCCC[C@H](CO)C2)C1 ZINC000372704076 447235111 /nfs/dbraw/zinc/23/51/11/447235111.db2.gz QYGOBPAXMOLVLQ-HDICACEKSA-N 2 1 328.497 1.192 20 0 EDADMP CN1CC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccc(F)cc1 ZINC000377684028 447292506 /nfs/dbraw/zinc/29/25/06/447292506.db2.gz VTNRRNQTEIXGOS-IEBWSBKVSA-N 2 1 348.466 1.325 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)CC1 ZINC000446841731 447259288 /nfs/dbraw/zinc/25/92/88/447259288.db2.gz AYCDQKUPEBEZLD-KRWDZBQOSA-N 2 1 335.496 1.398 20 0 EDADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000450351506 447464189 /nfs/dbraw/zinc/46/41/89/447464189.db2.gz VEMAAJQXNNJSPK-HKUYNNGSSA-N 2 1 345.487 1.391 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000458810977 447479460 /nfs/dbraw/zinc/47/94/60/447479460.db2.gz OCIDZDHCTRPDHS-CVEARBPZSA-N 2 1 328.501 1.253 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458810977 447479471 /nfs/dbraw/zinc/47/94/71/447479471.db2.gz OCIDZDHCTRPDHS-CVEARBPZSA-N 2 1 328.501 1.253 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458810977 447479477 /nfs/dbraw/zinc/47/94/77/447479477.db2.gz OCIDZDHCTRPDHS-CVEARBPZSA-N 2 1 328.501 1.253 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000389925534 447489252 /nfs/dbraw/zinc/48/92/52/447489252.db2.gz VUCSWTZZSFNLSP-JSGCOSHPSA-N 2 1 330.457 1.852 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000389925534 447489255 /nfs/dbraw/zinc/48/92/55/447489255.db2.gz VUCSWTZZSFNLSP-JSGCOSHPSA-N 2 1 330.457 1.852 20 0 EDADMP COCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000390006662 447490081 /nfs/dbraw/zinc/49/00/81/447490081.db2.gz XAAXCNXMXKQFPV-FUHWJXTLSA-N 2 1 345.487 1.639 20 0 EDADMP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390549817 447494714 /nfs/dbraw/zinc/49/47/14/447494714.db2.gz JQUXSXSAIAGXMP-YZGWKJHDSA-N 2 1 347.503 1.634 20 0 EDADMP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390549817 447494723 /nfs/dbraw/zinc/49/47/23/447494723.db2.gz JQUXSXSAIAGXMP-YZGWKJHDSA-N 2 1 347.503 1.634 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000416211859 447540273 /nfs/dbraw/zinc/54/02/73/447540273.db2.gz XATYTHPCWWVSLK-DLBZAZTESA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000416211859 447540278 /nfs/dbraw/zinc/54/02/78/447540278.db2.gz XATYTHPCWWVSLK-DLBZAZTESA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000416211859 447540284 /nfs/dbraw/zinc/54/02/84/447540284.db2.gz XATYTHPCWWVSLK-DLBZAZTESA-N 2 1 345.487 1.348 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)c2nccn2CC)CCN1C[C@H](C)O ZINC000459043535 447550456 /nfs/dbraw/zinc/55/04/56/447550456.db2.gz DERIAAQJMPVYQU-RRFJBIMHSA-N 2 1 337.468 1.451 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495908446 447635317 /nfs/dbraw/zinc/63/53/17/447635317.db2.gz BOOAEJSDLFMMQW-YJBOKZPZSA-N 2 1 336.480 1.134 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1CCOC ZINC000459148895 447594758 /nfs/dbraw/zinc/59/47/58/447594758.db2.gz GISDMXRKKUSMAM-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1CCOC ZINC000459148895 447594762 /nfs/dbraw/zinc/59/47/62/447594762.db2.gz GISDMXRKKUSMAM-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1CCOC ZINC000459148895 447594768 /nfs/dbraw/zinc/59/47/68/447594768.db2.gz GISDMXRKKUSMAM-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000404200375 447595477 /nfs/dbraw/zinc/59/54/77/447595477.db2.gz JVMIRLWCLNSLFL-ZCNNSNEGSA-N 2 1 347.503 1.274 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404200375 447595484 /nfs/dbraw/zinc/59/54/84/447595484.db2.gz JVMIRLWCLNSLFL-ZCNNSNEGSA-N 2 1 347.503 1.274 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000404200375 447595490 /nfs/dbraw/zinc/59/54/90/447595490.db2.gz JVMIRLWCLNSLFL-ZCNNSNEGSA-N 2 1 347.503 1.274 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])C(=O)OC ZINC000404323030 447600575 /nfs/dbraw/zinc/60/05/75/447600575.db2.gz SBBILMXRWKBXHY-YXWQFLTLSA-N 2 1 327.469 1.140 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])C(=O)OC ZINC000404323030 447600583 /nfs/dbraw/zinc/60/05/83/447600583.db2.gz SBBILMXRWKBXHY-YXWQFLTLSA-N 2 1 327.469 1.140 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000457639757 447606277 /nfs/dbraw/zinc/60/62/77/447606277.db2.gz PSRCGELKPRIWQH-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC[N@@H+]1C ZINC000420116444 447611929 /nfs/dbraw/zinc/61/19/29/447611929.db2.gz HBULBANZEXAXPL-PBHICJAKSA-N 2 1 346.475 1.121 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC[N@H+]1C ZINC000420116444 447611932 /nfs/dbraw/zinc/61/19/32/447611932.db2.gz HBULBANZEXAXPL-PBHICJAKSA-N 2 1 346.475 1.121 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000428423770 447699203 /nfs/dbraw/zinc/69/92/03/447699203.db2.gz RGTWVAFINLCZBI-RLFYNMQTSA-N 2 1 331.460 1.730 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])C1 ZINC000416873486 447700080 /nfs/dbraw/zinc/70/00/80/447700080.db2.gz RWNHDEMFQZYOGM-ARFHVFGLSA-N 2 1 326.485 1.255 20 0 EDADMP CCCC[N@H+](C)CC1CC[NH+](CN2C[C@@H](C(=O)OC)OC2=O)CC1 ZINC000495938206 447657109 /nfs/dbraw/zinc/65/71/09/447657109.db2.gz YPJXXBCEJJREOX-HNNXBMFYSA-N 2 1 341.452 1.382 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C[C@@H](C(=O)OC)OC2=O)CC1 ZINC000495938206 447657115 /nfs/dbraw/zinc/65/71/15/447657115.db2.gz YPJXXBCEJJREOX-HNNXBMFYSA-N 2 1 341.452 1.382 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NCC[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000420191867 447663295 /nfs/dbraw/zinc/66/32/95/447663295.db2.gz QKLGVXOGBCWFAQ-VYDXJSESSA-N 2 1 333.480 2.504 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000422632321 447679285 /nfs/dbraw/zinc/67/92/85/447679285.db2.gz GQDAQFOIAOVEDL-UMVBOHGHSA-N 2 1 333.432 1.337 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000422632321 447679289 /nfs/dbraw/zinc/67/92/89/447679289.db2.gz GQDAQFOIAOVEDL-UMVBOHGHSA-N 2 1 333.432 1.337 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416939144 447716189 /nfs/dbraw/zinc/71/61/89/447716189.db2.gz MJXWJAATUYISBA-GVDBMIGSSA-N 2 1 340.512 1.360 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000416948133 447722726 /nfs/dbraw/zinc/72/27/26/447722726.db2.gz YTTNCCUYJJYWPG-RDJZCZTQSA-N 2 1 326.485 1.114 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)[nH+]c1 ZINC000417056873 447732080 /nfs/dbraw/zinc/73/20/80/447732080.db2.gz AEXREBQDNLLKDI-HRCADAONSA-N 2 1 331.464 1.961 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)[nH+]c1 ZINC000417074279 447733634 /nfs/dbraw/zinc/73/36/34/447733634.db2.gz YYFRSWBBHWNVCM-SFHVURJKSA-N 2 1 331.464 1.977 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422739815 447733862 /nfs/dbraw/zinc/73/38/62/447733862.db2.gz MGVBKQRAFKQQKF-IXDOHACOSA-N 2 1 337.489 1.605 20 0 EDADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000422738888 447733933 /nfs/dbraw/zinc/73/39/33/447733933.db2.gz KGORIFYOAPJUSN-RYQLBKOJSA-N 2 1 332.492 1.122 20 0 EDADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000422739444 447734251 /nfs/dbraw/zinc/73/42/51/447734251.db2.gz LHZZRYAOIDZDOA-PXNSSMCTSA-N 2 1 332.536 1.808 20 0 EDADMP C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422914895 447771643 /nfs/dbraw/zinc/77/16/43/447771643.db2.gz WKKWPFMIXMRMLT-LPHOPBHVSA-N 2 1 344.503 1.600 20 0 EDADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000423052385 447798583 /nfs/dbraw/zinc/79/85/83/447798583.db2.gz QLQDUZZMZIVFKS-DLBZAZTESA-N 2 1 337.489 1.976 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000496821281 447941183 /nfs/dbraw/zinc/94/11/83/447941183.db2.gz PSKRLTYMMZYJRD-IRXDYDNUSA-N 2 1 341.496 1.822 20 0 EDADMP CN(C[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C(=O)OC(C)(C)C ZINC000496847335 447964747 /nfs/dbraw/zinc/96/47/47/447964747.db2.gz OFUIBIOVSTXRNQ-GJZGRUSLSA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000552845105 447959466 /nfs/dbraw/zinc/95/94/66/447959466.db2.gz JPPOQVHUQSOZAI-UHFFFAOYSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000530581070 447921023 /nfs/dbraw/zinc/92/10/23/447921023.db2.gz KVQZTTPJKTYQEW-PKOBYXMFSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000530581070 447921025 /nfs/dbraw/zinc/92/10/25/447921025.db2.gz KVQZTTPJKTYQEW-PKOBYXMFSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000530581070 447921027 /nfs/dbraw/zinc/92/10/27/447921027.db2.gz KVQZTTPJKTYQEW-PKOBYXMFSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000530581070 447921030 /nfs/dbraw/zinc/92/10/30/447921030.db2.gz KVQZTTPJKTYQEW-PKOBYXMFSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000531064904 448013162 /nfs/dbraw/zinc/01/31/62/448013162.db2.gz SCOZGFKLAGUHLK-QUCCMNQESA-N 2 1 345.487 1.566 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC000525228536 447980725 /nfs/dbraw/zinc/98/07/25/447980725.db2.gz IHGMTTRLJNOKJA-UHFFFAOYSA-N 2 1 336.484 1.783 20 0 EDADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000497258133 448013782 /nfs/dbraw/zinc/01/37/82/448013782.db2.gz SDVOQQHUWFDDJV-DZKIICNBSA-N 2 1 327.469 1.288 20 0 EDADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000497258133 448013789 /nfs/dbraw/zinc/01/37/89/448013789.db2.gz SDVOQQHUWFDDJV-DZKIICNBSA-N 2 1 327.469 1.288 20 0 EDADMP CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000553578336 447998758 /nfs/dbraw/zinc/99/87/58/447998758.db2.gz RLVFENZUHMOTRY-LJQANCHMSA-N 2 1 344.503 1.262 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc(OC)c1 ZINC000531034241 448004577 /nfs/dbraw/zinc/00/45/77/448004577.db2.gz QJJANJVIFMWCSV-HZPDHXFCSA-N 2 1 347.459 1.346 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc(OC)c1 ZINC000531034241 448004584 /nfs/dbraw/zinc/00/45/84/448004584.db2.gz QJJANJVIFMWCSV-HZPDHXFCSA-N 2 1 347.459 1.346 20 0 EDADMP COc1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc(OC)c1 ZINC000531034241 448004593 /nfs/dbraw/zinc/00/45/93/448004593.db2.gz QJJANJVIFMWCSV-HZPDHXFCSA-N 2 1 347.459 1.346 20 0 EDADMP COc1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc(OC)c1 ZINC000531034241 448004597 /nfs/dbraw/zinc/00/45/97/448004597.db2.gz QJJANJVIFMWCSV-HZPDHXFCSA-N 2 1 347.459 1.346 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496849099 447966674 /nfs/dbraw/zinc/96/66/74/447966674.db2.gz BMKPIXICYWWUEB-ZBFHGGJFSA-N 2 1 341.496 1.678 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496849099 447966676 /nfs/dbraw/zinc/96/66/76/447966676.db2.gz BMKPIXICYWWUEB-ZBFHGGJFSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496849099 447966678 /nfs/dbraw/zinc/96/66/78/447966678.db2.gz BMKPIXICYWWUEB-ZBFHGGJFSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496849099 447966680 /nfs/dbraw/zinc/96/66/80/447966680.db2.gz BMKPIXICYWWUEB-ZBFHGGJFSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000570224468 447968102 /nfs/dbraw/zinc/96/81/02/447968102.db2.gz VDADWEAXMGYCJU-YJBOKZPZSA-N 2 1 345.491 1.534 20 0 EDADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000496908607 448025808 /nfs/dbraw/zinc/02/58/08/448025808.db2.gz NMMCXUSKHXCFBC-YOEHRIQHSA-N 2 1 329.485 1.440 20 0 EDADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000496908607 448025810 /nfs/dbraw/zinc/02/58/10/448025810.db2.gz NMMCXUSKHXCFBC-YOEHRIQHSA-N 2 1 329.485 1.440 20 0 EDADMP CC[NH2+]CCCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000570697654 448052878 /nfs/dbraw/zinc/05/28/78/448052878.db2.gz APDLMVYQWSXGQB-MRXNPFEDSA-N 2 1 338.496 1.016 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000526062104 448091519 /nfs/dbraw/zinc/09/15/19/448091519.db2.gz KJDBQKKVIIRJPT-XKQJLSEDSA-N 2 1 325.416 1.662 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000502763757 448105865 /nfs/dbraw/zinc/10/58/65/448105865.db2.gz WGLFKHGBNCAERG-PVAVHDDUSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531570050 448107698 /nfs/dbraw/zinc/10/76/98/448107698.db2.gz TUNKJUAPZCBXDI-ZTNFWEORSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531570050 448107704 /nfs/dbraw/zinc/10/77/04/448107704.db2.gz TUNKJUAPZCBXDI-ZTNFWEORSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531570050 448107709 /nfs/dbraw/zinc/10/77/09/448107709.db2.gz TUNKJUAPZCBXDI-ZTNFWEORSA-N 2 1 343.471 1.222 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000576799243 448140685 /nfs/dbraw/zinc/14/06/85/448140685.db2.gz IZOBEIKGTWVIEG-SJLPKXTDSA-N 2 1 345.491 1.603 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN[C@@H]1CC[NH+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000576884766 448162782 /nfs/dbraw/zinc/16/27/82/448162782.db2.gz LIGXNWCPVYZHSH-RLLQIKCJSA-N 2 1 347.503 1.875 20 0 EDADMP CC[NH+](C)C[C@H](O)CN[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000576884766 448162789 /nfs/dbraw/zinc/16/27/89/448162789.db2.gz LIGXNWCPVYZHSH-RLLQIKCJSA-N 2 1 347.503 1.875 20 0 EDADMP CC[NH+](C)C[C@H](O)CN[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000576884766 448162796 /nfs/dbraw/zinc/16/27/96/448162796.db2.gz LIGXNWCPVYZHSH-RLLQIKCJSA-N 2 1 347.503 1.875 20 0 EDADMP O=C(CCc1ccccc1)N1CCC[N@@H+](CCN2CC[NH2+]CC2)CC1 ZINC000571642511 448185633 /nfs/dbraw/zinc/18/56/33/448185633.db2.gz VLVDOZLQFWTVSX-UHFFFAOYSA-N 2 1 344.503 1.059 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]CCC(=O)NC(N)=O)C1 ZINC000582415129 448229520 /nfs/dbraw/zinc/22/95/20/448229520.db2.gz ANHKJYXKUZDKJY-GASCZTMLSA-N 2 1 346.475 1.839 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2csc(-c3ncccn3)n2)CC1 ZINC000577221236 448239920 /nfs/dbraw/zinc/23/99/20/448239920.db2.gz IUZBRZPESVBASA-CABCVRRESA-N 2 1 345.472 1.928 20 0 EDADMP CC[N@H+](CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(C)C ZINC000532428046 448258911 /nfs/dbraw/zinc/25/89/11/448258911.db2.gz HQWRMZVTFCJNGR-DLBZAZTESA-N 2 1 340.512 1.659 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(C)C ZINC000532428046 448258915 /nfs/dbraw/zinc/25/89/15/448258915.db2.gz HQWRMZVTFCJNGR-DLBZAZTESA-N 2 1 340.512 1.659 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH2+]CC2)[C@H](C)C1 ZINC000572118528 448292369 /nfs/dbraw/zinc/29/23/69/448292369.db2.gz RDXXAVBYKILKGA-NVXWUHKLSA-N 2 1 341.496 1.008 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000591453279 448368823 /nfs/dbraw/zinc/36/88/23/448368823.db2.gz DUQDMLWTDCAWQA-CVEARBPZSA-N 2 1 344.459 1.274 20 0 EDADMP C[NH+]1CC[C@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000591453279 448368828 /nfs/dbraw/zinc/36/88/28/448368828.db2.gz DUQDMLWTDCAWQA-CVEARBPZSA-N 2 1 344.459 1.274 20 0 EDADMP C[NH+]1CC[C@H](C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000591453279 448368832 /nfs/dbraw/zinc/36/88/32/448368832.db2.gz DUQDMLWTDCAWQA-CVEARBPZSA-N 2 1 344.459 1.274 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000591571624 448394209 /nfs/dbraw/zinc/39/42/09/448394209.db2.gz SBBCCYRESWKFDD-NCOADZHNSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000591571624 448394212 /nfs/dbraw/zinc/39/42/12/448394212.db2.gz SBBCCYRESWKFDD-NCOADZHNSA-N 2 1 338.496 1.364 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCSc3ccc(Cl)cc3)CCN2C1=O ZINC000583034910 448409890 /nfs/dbraw/zinc/40/98/90/448409890.db2.gz LDRHSFVICHMEFA-OCCSQVGLSA-N 2 1 325.865 1.676 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCSc3ccc(Cl)cc3)CCN2C1=O ZINC000583034910 448409896 /nfs/dbraw/zinc/40/98/96/448409896.db2.gz LDRHSFVICHMEFA-OCCSQVGLSA-N 2 1 325.865 1.676 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000572596066 448417054 /nfs/dbraw/zinc/41/70/54/448417054.db2.gz FNQATNRBFSRNSN-QAPCUYQASA-N 2 1 334.460 1.813 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000572615383 448424748 /nfs/dbraw/zinc/42/47/48/448424748.db2.gz ZAQIBUVBBASIQT-CALCHBBNSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000572615383 448424752 /nfs/dbraw/zinc/42/47/52/448424752.db2.gz ZAQIBUVBBASIQT-CALCHBBNSA-N 2 1 336.524 1.345 20 0 EDADMP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000578006394 448436578 /nfs/dbraw/zinc/43/65/78/448436578.db2.gz DQQBANOWIXFJLF-AEFFLSMTSA-N 2 1 334.460 1.950 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)CCCC[NH3+])CC2)C[C@H](C)O1 ZINC000578130682 448468524 /nfs/dbraw/zinc/46/85/24/448468524.db2.gz XELZRWGLVVHTFB-IYBDPMFKSA-N 2 1 325.497 1.853 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000578210866 448486425 /nfs/dbraw/zinc/48/64/25/448486425.db2.gz GNFBETHXOBIHPL-SJLPKXTDSA-N 2 1 338.496 1.149 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000578210866 448486430 /nfs/dbraw/zinc/48/64/30/448486430.db2.gz GNFBETHXOBIHPL-SJLPKXTDSA-N 2 1 338.496 1.149 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000578210864 448486857 /nfs/dbraw/zinc/48/68/57/448486857.db2.gz GNFBETHXOBIHPL-AEFFLSMTSA-N 2 1 338.496 1.149 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000578210864 448486862 /nfs/dbraw/zinc/48/68/62/448486862.db2.gz GNFBETHXOBIHPL-AEFFLSMTSA-N 2 1 338.496 1.149 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCCOc3cccc4ccccc43)CCN2C1=O ZINC000517247293 448563344 /nfs/dbraw/zinc/56/33/44/448563344.db2.gz JOMYQVKMFUSJQY-AEFFLSMTSA-N 2 1 339.439 1.853 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCCOc3cccc4ccccc43)CCN2C1=O ZINC000517247293 448563352 /nfs/dbraw/zinc/56/33/52/448563352.db2.gz JOMYQVKMFUSJQY-AEFFLSMTSA-N 2 1 339.439 1.853 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000517370526 448576400 /nfs/dbraw/zinc/57/64/00/448576400.db2.gz YTOWAKICBPQDDB-UHFFFAOYSA-N 2 1 327.432 1.730 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)C(F)(F)F)c2)CCO1 ZINC000573236998 448577396 /nfs/dbraw/zinc/57/73/96/448577396.db2.gz TYJPJEFZCXAYTO-IUODEOHRSA-N 2 1 332.366 1.920 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)C(F)(F)F)c2)CCO1 ZINC000573236998 448577402 /nfs/dbraw/zinc/57/74/02/448577402.db2.gz TYJPJEFZCXAYTO-IUODEOHRSA-N 2 1 332.366 1.920 20 0 EDADMP Cc1cc(=O)n2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)sc2n1 ZINC000517146959 448543543 /nfs/dbraw/zinc/54/35/43/448543543.db2.gz RDJSNRGXZWQUHY-CHWSQXEVSA-N 2 1 333.461 1.281 20 0 EDADMP C[NH+](C)C1CCC(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567102353 448613734 /nfs/dbraw/zinc/61/37/34/448613734.db2.gz YXVQWACCAYOENP-AFMYVXGZSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+](C)C1CCC(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567102354 448613779 /nfs/dbraw/zinc/61/37/79/448613779.db2.gz YXVQWACCAYOENP-QLOJAFMTSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000517414801 448581898 /nfs/dbraw/zinc/58/18/98/448581898.db2.gz BPKARGDPOGRAAD-YESZJQIVSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000517414801 448581900 /nfs/dbraw/zinc/58/19/00/448581900.db2.gz BPKARGDPOGRAAD-YESZJQIVSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000517414801 448581902 /nfs/dbraw/zinc/58/19/02/448581902.db2.gz BPKARGDPOGRAAD-YESZJQIVSA-N 2 1 340.512 1.203 20 0 EDADMP NS(=O)(=O)CCCCCC(=O)Nc1cnccc1-n1ccnc1 ZINC000584628090 448586586 /nfs/dbraw/zinc/58/65/86/448586586.db2.gz MITNBGWJEWSKJU-UHFFFAOYSA-N 2 1 337.405 1.055 20 0 EDADMP CCOC[C@@H]1C[N@@H+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CCO1 ZINC000528718635 448643659 /nfs/dbraw/zinc/64/36/59/448643659.db2.gz HLZASHXPJSZBQY-IRXDYDNUSA-N 2 1 347.459 1.751 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000573557139 448657419 /nfs/dbraw/zinc/65/74/19/448657419.db2.gz SOKANLFPHOJKLM-IXDOHACOSA-N 2 1 348.495 1.121 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000567336678 448667248 /nfs/dbraw/zinc/66/72/48/448667248.db2.gz UMHHFRUJKRSBRS-JCGIZDLHSA-N 2 1 328.460 1.692 20 0 EDADMP C[C@H](CNC(=O)[C@@H]([NH3+])C1CCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000517928590 448630063 /nfs/dbraw/zinc/63/00/63/448630063.db2.gz JIXDHJZEOJVLJH-QAPCUYQASA-N 2 1 330.476 1.441 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])[C@@H](C)C1 ZINC000584783032 448631023 /nfs/dbraw/zinc/63/10/23/448631023.db2.gz JJDFDFQPFMCHFF-LUKYLMHMSA-N 2 1 327.513 1.859 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000567455490 448696478 /nfs/dbraw/zinc/69/64/78/448696478.db2.gz YGDLFVSSLFWGDI-CVEARBPZSA-N 2 1 339.528 1.219 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579091141 448710916 /nfs/dbraw/zinc/71/09/16/448710916.db2.gz KRBSGFXXFOEFPM-VYDXJSESSA-N 2 1 334.464 1.170 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579091141 448710919 /nfs/dbraw/zinc/71/09/19/448710919.db2.gz KRBSGFXXFOEFPM-VYDXJSESSA-N 2 1 334.464 1.170 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)[NH+](C)C ZINC000573819771 448723664 /nfs/dbraw/zinc/72/36/64/448723664.db2.gz HETHENVLNKQOIX-SVGFKBNWSA-N 2 1 346.475 1.677 20 0 EDADMP CN(C(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000579134634 448725119 /nfs/dbraw/zinc/72/51/19/448725119.db2.gz ZDHNDTMDGNRJHS-QZTJIDSGSA-N 2 1 346.475 1.281 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000518984739 448728547 /nfs/dbraw/zinc/72/85/47/448728547.db2.gz FPCCIRNHTAEGMA-WBVHZDCISA-N 2 1 325.497 1.853 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000529089917 448756931 /nfs/dbraw/zinc/75/69/31/448756931.db2.gz AZPKHWKTMJGDKS-QGZVFWFLSA-N 2 1 327.432 1.567 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000529089917 448756938 /nfs/dbraw/zinc/75/69/38/448756938.db2.gz AZPKHWKTMJGDKS-QGZVFWFLSA-N 2 1 327.432 1.567 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579582658 448825580 /nfs/dbraw/zinc/82/55/80/448825580.db2.gz JLZFBDXOAABGDT-XDNAFOTISA-N 2 1 327.513 1.024 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](CNC[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579582658 448825584 /nfs/dbraw/zinc/82/55/84/448825584.db2.gz JLZFBDXOAABGDT-XDNAFOTISA-N 2 1 327.513 1.024 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579582658 448825590 /nfs/dbraw/zinc/82/55/90/448825590.db2.gz JLZFBDXOAABGDT-XDNAFOTISA-N 2 1 327.513 1.024 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579582658 448825595 /nfs/dbraw/zinc/82/55/95/448825595.db2.gz JLZFBDXOAABGDT-XDNAFOTISA-N 2 1 327.513 1.024 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579582658 448825597 /nfs/dbraw/zinc/82/55/97/448825597.db2.gz JLZFBDXOAABGDT-XDNAFOTISA-N 2 1 327.513 1.024 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000579927452 448911297 /nfs/dbraw/zinc/91/12/97/448911297.db2.gz VGUJTGNXJRTFJF-SJORKVTESA-N 2 1 337.508 1.604 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)c1ccccc1 ZINC000547787125 448929478 /nfs/dbraw/zinc/92/94/78/448929478.db2.gz GBCVNZYFJAKHEX-BSDSXHPESA-N 2 1 331.460 1.108 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000574889564 448981774 /nfs/dbraw/zinc/98/17/74/448981774.db2.gz IILGTYNRJHMILR-HNNXBMFYSA-N 2 1 331.420 1.875 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000574889564 448981778 /nfs/dbraw/zinc/98/17/78/448981778.db2.gz IILGTYNRJHMILR-HNNXBMFYSA-N 2 1 331.420 1.875 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000521871120 449020984 /nfs/dbraw/zinc/02/09/84/449020984.db2.gz UWMVFQBAXPYKBA-UHFFFAOYSA-N 2 1 335.496 1.170 20 0 EDADMP CN(CCCN(C)C(=O)NCc1ccc(C[NH3+])cc1)CC[NH+](C)C ZINC000521871120 449020988 /nfs/dbraw/zinc/02/09/88/449020988.db2.gz UWMVFQBAXPYKBA-UHFFFAOYSA-N 2 1 335.496 1.170 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)Nc2cccc(CNC(=O)[C@H]3CC[N@H+](C)C3)c2)C1 ZINC000521927770 449029194 /nfs/dbraw/zinc/02/91/94/449029194.db2.gz XXIGQZFILCFIHW-JKSUJKDBSA-N 2 1 344.459 1.145 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NCc2cccc(NC(=O)[C@@H]3CC[N@H+](C)C3)c2)C1 ZINC000521927770 449029198 /nfs/dbraw/zinc/02/91/98/449029198.db2.gz XXIGQZFILCFIHW-JKSUJKDBSA-N 2 1 344.459 1.145 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NCc2cccc(NC(=O)[C@@H]3CC[N@@H+](C)C3)c2)C1 ZINC000521927770 449029202 /nfs/dbraw/zinc/02/92/02/449029202.db2.gz XXIGQZFILCFIHW-JKSUJKDBSA-N 2 1 344.459 1.145 20 0 EDADMP C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC[N@H+](C2CCC2)C1 ZINC000582191139 449034203 /nfs/dbraw/zinc/03/42/03/449034203.db2.gz OHOPSOGNBFHQDM-OAHLLOKOSA-N 2 1 333.480 1.391 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592957877 449079799 /nfs/dbraw/zinc/07/97/99/449079799.db2.gz RBHYUKXRWOVUHS-MRXNPFEDSA-N 2 1 347.507 1.912 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592958741 449082081 /nfs/dbraw/zinc/08/20/81/449082081.db2.gz IGZXNURYFSBRDR-QLFBSQMISA-N 2 1 333.480 1.712 20 0 EDADMP O=S(=O)(c1ccccc1)N1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000575109846 449037415 /nfs/dbraw/zinc/03/74/15/449037415.db2.gz AETUYDGHAAGYLF-MRXNPFEDSA-N 2 1 337.489 1.383 20 0 EDADMP COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595893084 449237548 /nfs/dbraw/zinc/23/75/48/449237548.db2.gz OVUMDEMKDUVJRY-RDJZCZTQSA-N 2 1 332.444 1.819 20 0 EDADMP CC(C)OC(=O)[C@H](C)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601964643 449248940 /nfs/dbraw/zinc/24/89/40/449248940.db2.gz KBDFBDGNYFRENF-VQIMIIECSA-N 2 1 334.460 1.801 20 0 EDADMP CC(C)OC(=O)[C@H](C)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601964643 449248946 /nfs/dbraw/zinc/24/89/46/449248946.db2.gz KBDFBDGNYFRENF-VQIMIIECSA-N 2 1 334.460 1.801 20 0 EDADMP COC(=O)[C@](C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000594614874 449595025 /nfs/dbraw/zinc/59/50/25/449595025.db2.gz PUIJIPWZXDOHAH-AZUAARDMSA-N 2 1 346.471 1.960 20 0 EDADMP [NH3+]CCSCc1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000594656497 449610882 /nfs/dbraw/zinc/61/08/82/449610882.db2.gz WEHVPBTXWYBVSE-INIZCTEOSA-N 2 1 331.489 1.992 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnc2ccccc2n1 ZINC000617504410 449650915 /nfs/dbraw/zinc/65/09/15/449650915.db2.gz UQPYDQLYIAHWLE-AWEZNQCLSA-N 2 1 329.448 1.632 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnc2ccccc2n1 ZINC000617504410 449650920 /nfs/dbraw/zinc/65/09/20/449650920.db2.gz UQPYDQLYIAHWLE-AWEZNQCLSA-N 2 1 329.448 1.632 20 0 EDADMP Cc1ccc(F)c(OCC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000617506518 449652341 /nfs/dbraw/zinc/65/23/41/449652341.db2.gz QJAPEWKMYNJPDH-HNNXBMFYSA-N 2 1 339.455 1.901 20 0 EDADMP Cc1ccc(F)c(OCC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617506518 449652348 /nfs/dbraw/zinc/65/23/48/449652348.db2.gz QJAPEWKMYNJPDH-HNNXBMFYSA-N 2 1 339.455 1.901 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(-n2cncn2)c1 ZINC000617505702 449652943 /nfs/dbraw/zinc/65/29/43/449652943.db2.gz NBVDSBJWXNVJRT-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(-n2cncn2)c1 ZINC000617505702 449652947 /nfs/dbraw/zinc/65/29/47/449652947.db2.gz NBVDSBJWXNVJRT-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504024 449646611 /nfs/dbraw/zinc/64/66/11/449646611.db2.gz FOZRPPPXBDZXER-LSDHHAIUSA-N 2 1 339.455 1.981 20 0 EDADMP C[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504024 449646616 /nfs/dbraw/zinc/64/66/16/449646616.db2.gz FOZRPPPXBDZXER-LSDHHAIUSA-N 2 1 339.455 1.981 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000617504686 449649029 /nfs/dbraw/zinc/64/90/29/449649029.db2.gz FUKMQXGVLCVSES-LBPRGKRZSA-N 2 1 334.420 1.535 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000617504686 449649033 /nfs/dbraw/zinc/64/90/33/449649033.db2.gz FUKMQXGVLCVSES-LBPRGKRZSA-N 2 1 334.420 1.535 20 0 EDADMP C[NH+](C)C1CCN(c2ccc(NC(=O)C3([NH+](C)C)CC3)nc2)CC1 ZINC000612470167 449723220 /nfs/dbraw/zinc/72/32/20/449723220.db2.gz LZRLGBWDYOMHDU-UHFFFAOYSA-N 2 1 331.464 1.645 20 0 EDADMP COC(=O)c1ccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1C ZINC000602657663 449733888 /nfs/dbraw/zinc/73/38/88/449733888.db2.gz QRASIJQTUVFNPA-MRXNPFEDSA-N 2 1 348.491 1.412 20 0 EDADMP CCOC(=O)C1(C)CC([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000601267560 449786428 /nfs/dbraw/zinc/78/64/28/449786428.db2.gz MQSJGVSDZPBARW-UHFFFAOYSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000601218977 449755783 /nfs/dbraw/zinc/75/57/83/449755783.db2.gz MRONGWZMUZHWTL-IAGOWNOFSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H]1CCN(C(=O)CN2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000608488819 449855023 /nfs/dbraw/zinc/85/50/23/449855023.db2.gz UTBKBPRKHSTODJ-SFHVURJKSA-N 2 1 344.503 1.357 20 0 EDADMP C[C@H]1CCN(C(=O)CN2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000608488819 449855031 /nfs/dbraw/zinc/85/50/31/449855031.db2.gz UTBKBPRKHSTODJ-SFHVURJKSA-N 2 1 344.503 1.357 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000601346439 449857175 /nfs/dbraw/zinc/85/71/75/449857175.db2.gz VCGFINOCLQXKHI-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000601346439 449857179 /nfs/dbraw/zinc/85/71/79/449857179.db2.gz VCGFINOCLQXKHI-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)NC(=O)NC3CCCCC3)C2)CC1 ZINC000602875939 449884261 /nfs/dbraw/zinc/88/42/61/449884261.db2.gz BYHBQROGVVGSOX-UHFFFAOYSA-N 2 1 336.480 1.563 20 0 EDADMP CCCCNC(=O)NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844724 449852108 /nfs/dbraw/zinc/85/21/08/449852108.db2.gz DZIQEKZQWDFDQY-UHFFFAOYSA-N 2 1 333.436 1.220 20 0 EDADMP CCCCNC(=O)NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844724 449852112 /nfs/dbraw/zinc/85/21/12/449852112.db2.gz DZIQEKZQWDFDQY-UHFFFAOYSA-N 2 1 333.436 1.220 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(C(=O)OC)cn1 ZINC000599388196 449935942 /nfs/dbraw/zinc/93/59/42/449935942.db2.gz CUOKKIZQCWLFJB-UHFFFAOYSA-N 2 1 331.420 1.934 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(C(=O)OC)cn1 ZINC000599388196 449935945 /nfs/dbraw/zinc/93/59/45/449935945.db2.gz CUOKKIZQCWLFJB-UHFFFAOYSA-N 2 1 331.420 1.934 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cn1cnc2c1CCCC2 ZINC000615271356 450033846 /nfs/dbraw/zinc/03/38/46/450033846.db2.gz WGRDLDPBOGRYFP-IAGOWNOFSA-N 2 1 332.448 1.084 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000615271356 450033858 /nfs/dbraw/zinc/03/38/58/450033858.db2.gz WGRDLDPBOGRYFP-IAGOWNOFSA-N 2 1 332.448 1.084 20 0 EDADMP CCCCNC(=O)NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110598 450073145 /nfs/dbraw/zinc/07/31/45/450073145.db2.gz MKIYBWHJLANZTH-UHFFFAOYSA-N 2 1 326.485 1.810 20 0 EDADMP O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613210973 450082157 /nfs/dbraw/zinc/08/21/57/450082157.db2.gz VABVWAICWLZXNX-SRVKXCTJSA-N 2 1 331.243 1.884 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccnc(C3CC3)n2)CC1 ZINC000601649761 450142015 /nfs/dbraw/zinc/14/20/15/450142015.db2.gz SFYDSOJAKVFNPU-UHFFFAOYSA-N 2 1 338.415 1.753 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000603434502 450301102 /nfs/dbraw/zinc/30/11/02/450301102.db2.gz QYBWJQLHHGQXLC-FXCYLHMPSA-N 2 1 348.491 1.496 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000625426169 450354423 /nfs/dbraw/zinc/35/44/23/450354423.db2.gz VJCJQHRDMUEMCO-MRXNPFEDSA-N 2 1 339.505 1.758 20 0 EDADMP CCC1([NH+]2CCOCC2)CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000626089041 450573183 /nfs/dbraw/zinc/57/31/83/450573183.db2.gz YJRFZHODKPJUKN-HDICACEKSA-N 2 1 337.508 1.426 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621105850 450581818 /nfs/dbraw/zinc/58/18/18/450581818.db2.gz ZGVITOYPGWBZON-SFHVURJKSA-N 2 1 337.508 1.727 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000621105850 450581819 /nfs/dbraw/zinc/58/18/19/450581819.db2.gz ZGVITOYPGWBZON-SFHVURJKSA-N 2 1 337.508 1.727 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC3CC3)C1)C2 ZINC000621110933 450583218 /nfs/dbraw/zinc/58/32/18/450583218.db2.gz YRZSKPHXYNHNIV-SJORKVTESA-N 2 1 330.476 1.992 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000621110933 450583220 /nfs/dbraw/zinc/58/32/20/450583220.db2.gz YRZSKPHXYNHNIV-SJORKVTESA-N 2 1 330.476 1.992 20 0 EDADMP C[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635068841 450620451 /nfs/dbraw/zinc/62/04/51/450620451.db2.gz MBNYXVOYIHMRKH-UYAOXDASSA-N 2 1 345.487 1.593 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000627311165 450639471 /nfs/dbraw/zinc/63/94/71/450639471.db2.gz OSULSRUJFOFKJG-DLBZAZTESA-N 2 1 346.475 1.011 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633053946 450650262 /nfs/dbraw/zinc/65/02/62/450650262.db2.gz VRFUBIKYNASFEB-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)n1C ZINC000633093590 450677886 /nfs/dbraw/zinc/67/78/86/450677886.db2.gz UTXPGWYBHFMOLM-UHFFFAOYSA-N 2 1 348.495 1.646 20 0 EDADMP C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000624018558 450672685 /nfs/dbraw/zinc/67/26/85/450672685.db2.gz TYIMVHXKILPCMQ-YOEHRIQHSA-N 2 1 332.448 1.745 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000635137951 450683194 /nfs/dbraw/zinc/68/31/94/450683194.db2.gz FEEBATGBBSFWPR-LJQANCHMSA-N 2 1 344.503 1.262 20 0 EDADMP C[NH+](C)CC1(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000635139674 450686076 /nfs/dbraw/zinc/68/60/76/450686076.db2.gz JMYALIQZVBVTAQ-UHFFFAOYSA-N 2 1 331.460 1.477 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000624064651 450693320 /nfs/dbraw/zinc/69/33/20/450693320.db2.gz NDXQDNIXBUUIMP-ZWKOTPCHSA-N 2 1 333.476 1.416 20 0 EDADMP Nc1ncccc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000629553466 450731924 /nfs/dbraw/zinc/73/19/24/450731924.db2.gz WCLGOULBFDAFDH-AWEZNQCLSA-N 2 1 341.463 1.176 20 0 EDADMP CCO[C@H](C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CC1 ZINC000629553714 450733692 /nfs/dbraw/zinc/73/36/92/450733692.db2.gz XCCKYYSEQDKBHQ-SJLPKXTDSA-N 2 1 347.507 1.814 20 0 EDADMP CCN(CC[NH3+])CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000629557925 450734589 /nfs/dbraw/zinc/73/45/89/450734589.db2.gz KAJNTHUGTDDCJI-UHFFFAOYSA-N 2 1 348.491 1.010 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000629568701 450740979 /nfs/dbraw/zinc/74/09/79/450740979.db2.gz LGRXMQHJBPRIKO-UHFFFAOYSA-N 2 1 331.819 1.976 20 0 EDADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)CCOCC[NH3+] ZINC000629575360 450743769 /nfs/dbraw/zinc/74/37/69/450743769.db2.gz NAHNCQOVRDBJHT-LLVKDONJSA-N 2 1 333.354 1.940 20 0 EDADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)CCOCC[NH3+] ZINC000629575360 450743773 /nfs/dbraw/zinc/74/37/73/450743773.db2.gz NAHNCQOVRDBJHT-LLVKDONJSA-N 2 1 333.354 1.940 20 0 EDADMP O[C@H](C[NH2+]C[C@@H]1CSCCN1Cc1ccccc1)C[NH+]1CCCC1 ZINC000629575437 450744643 /nfs/dbraw/zinc/74/46/43/450744643.db2.gz NLTJZOBBVLASDL-RTBURBONSA-N 2 1 349.544 1.650 20 0 EDADMP C[C@H](CNS(=O)(=O)CCC[NH+]1CCCC1)[N@H+]1CCCC[C@@H]1C ZINC000631743668 450745147 /nfs/dbraw/zinc/74/51/47/450745147.db2.gz YXFHZDZXEGJZJZ-JKSUJKDBSA-N 2 1 331.526 1.655 20 0 EDADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+])c1ccc(Cl)cc1 ZINC000629578285 450745863 /nfs/dbraw/zinc/74/58/63/450745863.db2.gz AOZUDSBVIQHYIZ-CHWSQXEVSA-N 2 1 327.856 1.813 20 0 EDADMP CCCn1nccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000631829412 450801120 /nfs/dbraw/zinc/80/11/20/450801120.db2.gz PZOTUVGHMDUCEC-ARFHVFGLSA-N 2 1 349.479 1.592 20 0 EDADMP CCCn1nccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000631829412 450801126 /nfs/dbraw/zinc/80/11/26/450801126.db2.gz PZOTUVGHMDUCEC-ARFHVFGLSA-N 2 1 349.479 1.592 20 0 EDADMP CC[C@@H](C(=O)N1CCC([N@H+]2CCCOCC2)CC1)[NH+](CC)CC ZINC000627739798 450909638 /nfs/dbraw/zinc/90/96/38/450909638.db2.gz RDYAIHZYJOGKFP-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629954939 450913200 /nfs/dbraw/zinc/91/32/00/450913200.db2.gz VHFPAGIPMBLUPY-IRXDYDNUSA-N 2 1 336.524 1.488 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3CCCC[N@@H+](C)C3)CC2)c1 ZINC000624613006 450923131 /nfs/dbraw/zinc/92/31/31/450923131.db2.gz KFVMLXAEJFAGOW-QGZVFWFLSA-N 2 1 345.491 1.954 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3CCCC[N@H+](C)C3)CC2)c1 ZINC000624613006 450923139 /nfs/dbraw/zinc/92/31/39/450923139.db2.gz KFVMLXAEJFAGOW-QGZVFWFLSA-N 2 1 345.491 1.954 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC1 ZINC000624620200 450926923 /nfs/dbraw/zinc/92/69/23/450926923.db2.gz XTYKYFMOMXNAKJ-RBUKOAKNSA-N 2 1 345.487 1.513 20 0 EDADMP COCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000624620200 450926930 /nfs/dbraw/zinc/92/69/30/450926930.db2.gz XTYKYFMOMXNAKJ-RBUKOAKNSA-N 2 1 345.487 1.513 20 0 EDADMP COCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000624620200 450926939 /nfs/dbraw/zinc/92/69/39/450926939.db2.gz XTYKYFMOMXNAKJ-RBUKOAKNSA-N 2 1 345.487 1.513 20 0 EDADMP O=C(N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635443924 450945862 /nfs/dbraw/zinc/94/58/62/450945862.db2.gz MIARQDQWUQBVPU-KRWDZBQOSA-N 2 1 335.492 1.576 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC[C@@H]1C(F)(F)F ZINC000626939871 451021283 /nfs/dbraw/zinc/02/12/83/451021283.db2.gz DPLJUWVESALEGF-RQJABVFESA-N 2 1 348.413 1.782 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000635533853 451029511 /nfs/dbraw/zinc/02/95/11/451029511.db2.gz AMQLMBXDBIOMAH-KRWDZBQOSA-N 2 1 347.507 1.635 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000635533853 451029516 /nfs/dbraw/zinc/02/95/16/451029516.db2.gz AMQLMBXDBIOMAH-KRWDZBQOSA-N 2 1 347.507 1.635 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000626971927 451042396 /nfs/dbraw/zinc/04/23/96/451042396.db2.gz UWJHZUWAMMJRNN-HNNXBMFYSA-N 2 1 326.485 1.448 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000633865061 451052356 /nfs/dbraw/zinc/05/23/56/451052356.db2.gz BHARWPJTAUKPST-CVEARBPZSA-N 2 1 339.528 1.183 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000633865061 451052362 /nfs/dbraw/zinc/05/23/62/451052362.db2.gz BHARWPJTAUKPST-CVEARBPZSA-N 2 1 339.528 1.183 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000633865061 451052369 /nfs/dbraw/zinc/05/23/69/451052369.db2.gz BHARWPJTAUKPST-CVEARBPZSA-N 2 1 339.528 1.183 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000633865061 451052375 /nfs/dbraw/zinc/05/23/75/451052375.db2.gz BHARWPJTAUKPST-CVEARBPZSA-N 2 1 339.528 1.183 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000633865061 451052382 /nfs/dbraw/zinc/05/23/82/451052382.db2.gz BHARWPJTAUKPST-CVEARBPZSA-N 2 1 339.528 1.183 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000632128196 451057776 /nfs/dbraw/zinc/05/77/76/451057776.db2.gz SQDXOFFLQOXLGW-ZBFHGGJFSA-N 2 1 341.521 1.359 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000632128196 451057782 /nfs/dbraw/zinc/05/77/82/451057782.db2.gz SQDXOFFLQOXLGW-ZBFHGGJFSA-N 2 1 341.521 1.359 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635559190 451058470 /nfs/dbraw/zinc/05/84/70/451058470.db2.gz GOMVSFKIULEKCX-GOSISDBHSA-N 2 1 336.524 1.488 20 0 EDADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635559190 451058474 /nfs/dbraw/zinc/05/84/74/451058474.db2.gz GOMVSFKIULEKCX-GOSISDBHSA-N 2 1 336.524 1.488 20 0 EDADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635559190 451058483 /nfs/dbraw/zinc/05/84/83/451058483.db2.gz GOMVSFKIULEKCX-GOSISDBHSA-N 2 1 336.524 1.488 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635559190 451058488 /nfs/dbraw/zinc/05/84/88/451058488.db2.gz GOMVSFKIULEKCX-GOSISDBHSA-N 2 1 336.524 1.488 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635559190 451058492 /nfs/dbraw/zinc/05/84/92/451058492.db2.gz GOMVSFKIULEKCX-GOSISDBHSA-N 2 1 336.524 1.488 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCOCC2)[C@@H]1c1ccccc1 ZINC000627006072 451070815 /nfs/dbraw/zinc/07/08/15/451070815.db2.gz PLRWOOHHDMTNCV-CVEARBPZSA-N 2 1 332.448 1.239 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000624946532 451074608 /nfs/dbraw/zinc/07/46/08/451074608.db2.gz XONVBVNTGYFFDH-YESZJQIVSA-N 2 1 338.496 1.148 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000632216868 451122357 /nfs/dbraw/zinc/12/23/57/451122357.db2.gz OEYPZRATDOADKU-DOTOQJQBSA-N 2 1 339.505 1.378 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@H](C)O[C@H]3C)CC2)CC1 ZINC000634024771 451160233 /nfs/dbraw/zinc/16/02/33/451160233.db2.gz BNIKITSFLYLISN-RLFYNMQTSA-N 2 1 337.508 1.865 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627214676 451191407 /nfs/dbraw/zinc/19/14/07/451191407.db2.gz WKLGCZRVJJKRSI-KRWDZBQOSA-N 2 1 334.464 1.268 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCOCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000627216551 451191779 /nfs/dbraw/zinc/19/17/79/451191779.db2.gz SIRPNEMLBKHGKD-GOSISDBHSA-N 2 1 348.491 1.658 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)CCC[NH+](C)C ZINC000632334983 451205609 /nfs/dbraw/zinc/20/56/09/451205609.db2.gz BHLIKCHAVKLUOU-UHFFFAOYSA-N 2 1 331.482 1.315 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCc2ccccc2C[NH+]2CCC[C@H]2CO)C1 ZINC000635784111 451237633 /nfs/dbraw/zinc/23/76/33/451237633.db2.gz AQPLCACTSKDBLG-APWZRJJASA-N 2 1 345.487 1.601 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000635784111 451237636 /nfs/dbraw/zinc/23/76/36/451237636.db2.gz AQPLCACTSKDBLG-APWZRJJASA-N 2 1 345.487 1.601 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000635784111 451237638 /nfs/dbraw/zinc/23/76/38/451237638.db2.gz AQPLCACTSKDBLG-APWZRJJASA-N 2 1 345.487 1.601 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000635787689 451240337 /nfs/dbraw/zinc/24/03/37/451240337.db2.gz YDGMEZDCZIETJY-YJBOKZPZSA-N 2 1 331.460 1.211 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000635787689 451240341 /nfs/dbraw/zinc/24/03/41/451240341.db2.gz YDGMEZDCZIETJY-YJBOKZPZSA-N 2 1 331.460 1.211 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000635787689 451240343 /nfs/dbraw/zinc/24/03/43/451240343.db2.gz YDGMEZDCZIETJY-YJBOKZPZSA-N 2 1 331.460 1.211 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638118841 451285981 /nfs/dbraw/zinc/28/59/81/451285981.db2.gz DTIMZTWKMRSDIK-WMLDXEAASA-N 2 1 339.443 1.576 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000638096648 451261535 /nfs/dbraw/zinc/26/15/35/451261535.db2.gz PNPNPNKZRLDCDJ-RLFYNMQTSA-N 2 1 335.448 1.608 20 0 EDADMP c1c(C[C@@H]2CC[NH2+]C2)nnn1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000630596309 451269381 /nfs/dbraw/zinc/26/93/81/451269381.db2.gz NRHYIHZDNGUFET-ZWKOTPCHSA-N 2 1 325.460 1.952 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638110824 451278373 /nfs/dbraw/zinc/27/83/73/451278373.db2.gz IRRRSZFFHUHJRK-UYAOXDASSA-N 2 1 345.487 1.722 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)[C@H](C)C1 ZINC000638120931 451290141 /nfs/dbraw/zinc/29/01/41/451290141.db2.gz AZBOWWYCGHDRDS-OLMNPRSZSA-N 2 1 333.476 1.754 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC000635862298 451308047 /nfs/dbraw/zinc/30/80/47/451308047.db2.gz UXEAFTJROLHFQA-IBGZPJMESA-N 2 1 333.476 1.076 20 0 EDADMP O=C(CCC1C[NH2+]C1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000638137138 451310851 /nfs/dbraw/zinc/31/08/51/451310851.db2.gz GGZSPTNIFKBVGK-UHFFFAOYSA-N 2 1 334.439 1.064 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000636588075 451329045 /nfs/dbraw/zinc/32/90/45/451329045.db2.gz RUTXKUKFGGAHRE-ZWKOTPCHSA-N 2 1 346.475 1.017 20 0 EDADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000636588075 451329050 /nfs/dbraw/zinc/32/90/50/451329050.db2.gz RUTXKUKFGGAHRE-ZWKOTPCHSA-N 2 1 346.475 1.017 20 0 EDADMP O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000636588075 451329055 /nfs/dbraw/zinc/32/90/55/451329055.db2.gz RUTXKUKFGGAHRE-ZWKOTPCHSA-N 2 1 346.475 1.017 20 0 EDADMP [NH3+]C1(CC(=O)N[C@H]2CCC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638196311 451349849 /nfs/dbraw/zinc/34/98/49/451349849.db2.gz YJHXJDMHCVMDAH-SFHVURJKSA-N 3 1 344.503 1.628 20 0 EDADMP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638229834 451370658 /nfs/dbraw/zinc/37/06/58/451370658.db2.gz QSUQAWGQFHQHHG-RTBURBONSA-N 2 1 342.487 1.015 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000628744359 451393866 /nfs/dbraw/zinc/39/38/66/451393866.db2.gz GDNVPOWZLJGRQQ-MRXNPFEDSA-N 2 1 347.507 1.480 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000628744359 451393871 /nfs/dbraw/zinc/39/38/71/451393871.db2.gz GDNVPOWZLJGRQQ-MRXNPFEDSA-N 2 1 347.507 1.480 20 0 EDADMP [NH3+]C1(CC(=O)N[C@@H]2CCCC[C@H]2O)CC[NH+](Cc2ccccc2)CC1 ZINC000638278635 451397797 /nfs/dbraw/zinc/39/77/97/451397797.db2.gz JWDXXUKIEMSKMS-QZTJIDSGSA-N 2 1 345.487 1.790 20 0 EDADMP COCCOCC[N@H+](C)CCC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000635963447 451401012 /nfs/dbraw/zinc/40/10/12/451401012.db2.gz SNZHKSIDGCCAPI-UHFFFAOYSA-N 2 1 334.420 1.566 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000635963447 451401016 /nfs/dbraw/zinc/40/10/16/451401016.db2.gz SNZHKSIDGCCAPI-UHFFFAOYSA-N 2 1 334.420 1.566 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638300642 451416209 /nfs/dbraw/zinc/41/62/09/451416209.db2.gz USBDLWFSVXRMQB-MJGOQNOKSA-N 2 1 331.460 1.488 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638300642 451416215 /nfs/dbraw/zinc/41/62/15/451416215.db2.gz USBDLWFSVXRMQB-MJGOQNOKSA-N 2 1 331.460 1.488 20 0 EDADMP O[C@]1(C[NH2+]CCCC[NH+]2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634642721 451435941 /nfs/dbraw/zinc/43/59/41/451435941.db2.gz PKTRYBTUHSFCRO-FQEVSTJZSA-N 3 1 347.503 1.325 20 0 EDADMP O[C@]1(C[NH2+]CCCC[NH+]2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634642721 451435946 /nfs/dbraw/zinc/43/59/46/451435946.db2.gz PKTRYBTUHSFCRO-FQEVSTJZSA-N 3 1 347.503 1.325 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634643105 451436132 /nfs/dbraw/zinc/43/61/32/451436132.db2.gz WJBPJIBHWMIOOU-ICSRJNTNSA-N 2 1 331.504 1.945 20 0 EDADMP C[C@H]1CCC[NH+](CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634643105 451436136 /nfs/dbraw/zinc/43/61/36/451436136.db2.gz WJBPJIBHWMIOOU-ICSRJNTNSA-N 2 1 331.504 1.945 20 0 EDADMP C[C@H]1CCC[NH+](CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634643105 451436141 /nfs/dbraw/zinc/43/61/41/451436141.db2.gz WJBPJIBHWMIOOU-ICSRJNTNSA-N 2 1 331.504 1.945 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000638337439 451440931 /nfs/dbraw/zinc/44/09/31/451440931.db2.gz GWEFPDIXBCRXRA-GOSISDBHSA-N 2 1 349.475 1.144 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000638405965 451493769 /nfs/dbraw/zinc/49/37/69/451493769.db2.gz HTDBCVZNMUWMSB-MSOLQXFVSA-N 2 1 333.476 1.633 20 0 EDADMP C[C@@H](CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[N@@H+](C)C1CC1 ZINC000636729701 451450985 /nfs/dbraw/zinc/45/09/85/451450985.db2.gz BOGSTTDFMXQPBF-ZDUSSCGKSA-N 2 1 334.468 1.754 20 0 EDADMP CC[N@@H+](CCCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1)C1CCCCC1 ZINC000638384906 451478375 /nfs/dbraw/zinc/47/83/75/451478375.db2.gz DWEVWYKJASISRV-SJLPKXTDSA-N 2 1 325.497 1.914 20 0 EDADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634709288 451487570 /nfs/dbraw/zinc/48/75/70/451487570.db2.gz GZMIZZIYBQBFTD-LMMKCTJWSA-N 2 1 331.460 1.128 20 0 EDADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709288 451487574 /nfs/dbraw/zinc/48/75/74/451487574.db2.gz GZMIZZIYBQBFTD-LMMKCTJWSA-N 2 1 331.460 1.128 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638398524 451487944 /nfs/dbraw/zinc/48/79/44/451487944.db2.gz UXVROOWBBOAXLO-AEFFLSMTSA-N 3 1 344.503 1.708 20 0 EDADMP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634710758 451489511 /nfs/dbraw/zinc/48/95/11/451489511.db2.gz DQHUGAGUTWKKBL-IPMKNSEASA-N 2 1 334.460 1.407 20 0 EDADMP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634710758 451489517 /nfs/dbraw/zinc/48/95/17/451489517.db2.gz DQHUGAGUTWKKBL-IPMKNSEASA-N 2 1 334.460 1.407 20 0 EDADMP C[C@](O)(C[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000634711238 451491575 /nfs/dbraw/zinc/49/15/75/451491575.db2.gz LRLFHDGWTBHDQV-AQNXPRMDSA-N 2 1 348.487 1.255 20 0 EDADMP OC[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Cc1ccco1 ZINC000634719747 451500140 /nfs/dbraw/zinc/50/01/40/451500140.db2.gz YHJBLBIBZUBYND-QUCCMNQESA-N 2 1 344.455 1.657 20 0 EDADMP OC[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cc1ccco1 ZINC000634719747 451500143 /nfs/dbraw/zinc/50/01/43/451500143.db2.gz YHJBLBIBZUBYND-QUCCMNQESA-N 2 1 344.455 1.657 20 0 EDADMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(CO)cc3)CC2)CC1 ZINC000634731653 451511971 /nfs/dbraw/zinc/51/19/71/451511971.db2.gz QFTVDBWDZWCSOW-UHFFFAOYSA-N 2 1 331.460 1.165 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@]34CCC[C@@H]3C[NH2+]C4)CC2)cs1 ZINC000634767749 451535726 /nfs/dbraw/zinc/53/57/26/451535726.db2.gz IRGZVCIKOALXNQ-QAPCUYQASA-N 2 1 348.516 1.922 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638506574 451550421 /nfs/dbraw/zinc/55/04/21/451550421.db2.gz WXJLQMXQKSJZQO-MSOLQXFVSA-N 2 1 343.471 1.678 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638506574 451550426 /nfs/dbraw/zinc/55/04/26/451550426.db2.gz WXJLQMXQKSJZQO-MSOLQXFVSA-N 2 1 343.471 1.678 20 0 EDADMP CC(C)[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000638514870 451553823 /nfs/dbraw/zinc/55/38/23/451553823.db2.gz XFULXRCPHLPLNN-LJQANCHMSA-N 2 1 344.503 1.261 20 0 EDADMP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)C2 ZINC000638598865 451596956 /nfs/dbraw/zinc/59/69/56/451596956.db2.gz LQZWPUALICKHMU-GHTZIAJQSA-N 2 1 343.515 1.788 20 0 EDADMP C[C@H](C(=O)N1CCC(C)CC1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640824402 451610587 /nfs/dbraw/zinc/61/05/87/451610587.db2.gz HHIKMYBSCFEADD-OAHLLOKOSA-N 2 1 348.495 1.063 20 0 EDADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(N)nc2N)[C@H]1c1cccs1 ZINC000638671749 451643286 /nfs/dbraw/zinc/64/32/86/451643286.db2.gz TYCAEJOGNMFTJD-FZMZJTMJSA-N 2 1 332.477 1.536 20 0 EDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(N)nc2N)[C@H]1c1cccs1 ZINC000638671749 451643290 /nfs/dbraw/zinc/64/32/90/451643290.db2.gz TYCAEJOGNMFTJD-FZMZJTMJSA-N 2 1 332.477 1.536 20 0 EDADMP C[C@@H](c1nc(C(C)(C)C)no1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640935774 451696874 /nfs/dbraw/zinc/69/68/74/451696874.db2.gz AFXAGCOGAZBTCG-LBPRGKRZSA-N 2 1 347.467 1.534 20 0 EDADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638838067 451706506 /nfs/dbraw/zinc/70/65/06/451706506.db2.gz CLPPOTLBCFTMEJ-UHFFFAOYSA-N 2 1 336.237 1.843 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000636442782 451709797 /nfs/dbraw/zinc/70/97/97/451709797.db2.gz TXEYYLSZHJGEIL-MSOLQXFVSA-N 2 1 346.475 1.189 20 0 EDADMP Cc1cc(F)c(S(N)(=O)=O)c(NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000631363686 451712182 /nfs/dbraw/zinc/71/21/82/451712182.db2.gz IOFSQWUBFXREHD-UHFFFAOYSA-N 2 1 346.472 1.077 20 0 EDADMP Cc1cc(F)c(S(N)(=O)=O)c(NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000631363686 451712184 /nfs/dbraw/zinc/71/21/84/451712184.db2.gz IOFSQWUBFXREHD-UHFFFAOYSA-N 2 1 346.472 1.077 20 0 EDADMP CC1([NH+]2CCCC2)CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000636447902 451713127 /nfs/dbraw/zinc/71/31/27/451713127.db2.gz ODOZSBWNTYKKAG-UHFFFAOYSA-N 2 1 338.496 1.369 20 0 EDADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638931971 451738644 /nfs/dbraw/zinc/73/86/44/451738644.db2.gz TUPLWDMLUAREIT-DOTOQJQBSA-N 3 1 330.476 1.318 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000637263512 451773883 /nfs/dbraw/zinc/77/38/83/451773883.db2.gz HCXKUFJDNHHEQI-NUEKZKHPSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000637263512 451773887 /nfs/dbraw/zinc/77/38/87/451773887.db2.gz HCXKUFJDNHHEQI-NUEKZKHPSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000644521962 451838849 /nfs/dbraw/zinc/83/88/49/451838849.db2.gz JTTQTMYGAYXDPA-DLBZAZTESA-N 2 1 328.497 1.645 20 0 EDADMP CN(C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000641215654 451785075 /nfs/dbraw/zinc/78/50/75/451785075.db2.gz CPWMXSZYGZRENI-ZOBUZTSGSA-N 2 1 337.512 1.066 20 0 EDADMP CN(C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000641215654 451785078 /nfs/dbraw/zinc/78/50/78/451785078.db2.gz CPWMXSZYGZRENI-ZOBUZTSGSA-N 2 1 337.512 1.066 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)Cn1ccnn1 ZINC000639257944 451799751 /nfs/dbraw/zinc/79/97/51/451799751.db2.gz URXUBKYLPKMCCW-QRQLOZEOSA-N 2 1 341.459 1.597 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)Cn1ccnn1 ZINC000639257944 451799754 /nfs/dbraw/zinc/79/97/54/451799754.db2.gz URXUBKYLPKMCCW-QRQLOZEOSA-N 2 1 341.459 1.597 20 0 EDADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000649071955 451808568 /nfs/dbraw/zinc/80/85/68/451808568.db2.gz VMRCZZSBMLNGKM-OAHLLOKOSA-N 2 1 338.496 1.219 20 0 EDADMP C[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000649076424 451818859 /nfs/dbraw/zinc/81/88/59/451818859.db2.gz XXSAQRWUTXMNLV-HOTGVXAUSA-N 2 1 346.475 1.085 20 0 EDADMP C[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000649076424 451818865 /nfs/dbraw/zinc/81/88/65/451818865.db2.gz XXSAQRWUTXMNLV-HOTGVXAUSA-N 2 1 346.475 1.085 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cscn3)CC2)CC1 ZINC000646784114 451837476 /nfs/dbraw/zinc/83/74/76/451837476.db2.gz BMWFXSUEADAJCE-UHFFFAOYSA-N 2 1 336.505 1.956 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000644567351 451866129 /nfs/dbraw/zinc/86/61/29/451866129.db2.gz VSXVQEVRKIXNMB-IPMKNSEASA-N 2 1 347.503 1.716 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000644567351 451866133 /nfs/dbraw/zinc/86/61/33/451866133.db2.gz VSXVQEVRKIXNMB-IPMKNSEASA-N 2 1 347.503 1.716 20 0 EDADMP CC(C)[NH+](CCCNC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000644581367 451873566 /nfs/dbraw/zinc/87/35/66/451873566.db2.gz GHOCPGRSLGZRTQ-FGTMMUONSA-N 2 1 329.529 1.555 20 0 EDADMP CC(C)[NH+](CCCNC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000644581367 451873573 /nfs/dbraw/zinc/87/35/73/451873573.db2.gz GHOCPGRSLGZRTQ-FGTMMUONSA-N 2 1 329.529 1.555 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CCO1 ZINC000646841455 451879675 /nfs/dbraw/zinc/87/96/75/451879675.db2.gz XOECSFVTAYTKMM-BMGDILEWSA-N 2 1 349.450 1.755 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CCO1 ZINC000646841455 451879681 /nfs/dbraw/zinc/87/96/81/451879681.db2.gz XOECSFVTAYTKMM-BMGDILEWSA-N 2 1 349.450 1.755 20 0 EDADMP O=C(NC[C@H]1CC[NH+]1C1CCCC1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000637469929 451886767 /nfs/dbraw/zinc/88/67/67/451886767.db2.gz GQKMQPXRSXYOOB-DLBZAZTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)NC[C@@H]1CCCC[NH+]1CCO ZINC000637469929 451886771 /nfs/dbraw/zinc/88/67/71/451886771.db2.gz GQKMQPXRSXYOOB-DLBZAZTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)NC[C@@H]1CCCC[NH+]1CCO ZINC000637469929 451886775 /nfs/dbraw/zinc/88/67/75/451886775.db2.gz GQKMQPXRSXYOOB-DLBZAZTESA-N 2 1 338.496 1.149 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000644633573 451907350 /nfs/dbraw/zinc/90/73/50/451907350.db2.gz JNXMGRHPNBAPKS-FQEVSTJZSA-N 3 1 331.504 1.943 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000644633573 451907355 /nfs/dbraw/zinc/90/73/55/451907355.db2.gz JNXMGRHPNBAPKS-FQEVSTJZSA-N 3 1 331.504 1.943 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649288529 451962390 /nfs/dbraw/zinc/96/23/90/451962390.db2.gz WWEJEZCCIUSBSP-VQIMIIECSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649294777 451970558 /nfs/dbraw/zinc/97/05/58/451970558.db2.gz BAFXLTWBDJXBFX-HUUCEWRRSA-N 2 1 334.468 1.197 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000649308536 451984618 /nfs/dbraw/zinc/98/46/18/451984618.db2.gz MZTDUJMBSNTSOB-QGZVFWFLSA-N 2 1 346.475 1.776 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000649308560 451986682 /nfs/dbraw/zinc/98/66/82/451986682.db2.gz OBZLMJCFOIAWTE-HNNXBMFYSA-N 2 1 346.475 1.791 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000649311460 451989178 /nfs/dbraw/zinc/98/91/78/451989178.db2.gz RRPJNKBSKZGCTH-BEFAXECRSA-N 2 1 331.460 1.318 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643062006 452029765 /nfs/dbraw/zinc/02/97/65/452029765.db2.gz BWAPHFULNLGGLF-SJORKVTESA-N 2 1 344.459 1.721 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643062006 452029771 /nfs/dbraw/zinc/02/97/71/452029771.db2.gz BWAPHFULNLGGLF-SJORKVTESA-N 2 1 344.459 1.721 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000649350106 452033198 /nfs/dbraw/zinc/03/31/98/452033198.db2.gz FEMQKWMLUJVDSL-WMZOPIPTSA-N 2 1 330.476 1.748 20 0 EDADMP CN(C(=O)c1ncn(C(C)(C)C)n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000643230326 452084762 /nfs/dbraw/zinc/08/47/62/452084762.db2.gz NKPQIQRWWRACFG-OAHLLOKOSA-N 2 1 348.495 1.274 20 0 EDADMP CN(C(=O)c1ncn(C(C)(C)C)n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000643230326 452084765 /nfs/dbraw/zinc/08/47/65/452084765.db2.gz NKPQIQRWWRACFG-OAHLLOKOSA-N 2 1 348.495 1.274 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2)N1CCC[NH2+]CC1 ZINC000637803878 452089879 /nfs/dbraw/zinc/08/98/79/452089879.db2.gz QFQJRXFHFPHEAI-ICSRJNTNSA-N 2 1 343.471 1.347 20 0 EDADMP C[NH+]1CCC2(CC[N@H+](CC(=O)N3CC(=O)Nc4ccccc43)C2)CC1 ZINC000639758824 452098510 /nfs/dbraw/zinc/09/85/10/452098510.db2.gz WZOKXHZTNZENDW-UHFFFAOYSA-N 2 1 342.443 1.389 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)N3CC(=O)Nc4ccccc43)C2)CC1 ZINC000639758824 452098513 /nfs/dbraw/zinc/09/85/13/452098513.db2.gz WZOKXHZTNZENDW-UHFFFAOYSA-N 2 1 342.443 1.389 20 0 EDADMP CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000639762787 452102200 /nfs/dbraw/zinc/10/22/00/452102200.db2.gz UWLMXZLETMCETE-IBGZPJMESA-N 2 1 349.475 1.802 20 0 EDADMP CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000639762787 452102208 /nfs/dbraw/zinc/10/22/08/452102208.db2.gz UWLMXZLETMCETE-IBGZPJMESA-N 2 1 349.475 1.802 20 0 EDADMP [NH3+]CC1(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000637840608 452111195 /nfs/dbraw/zinc/11/11/95/452111195.db2.gz PJDJIKXDDTWPPC-UHFFFAOYSA-N 3 1 344.503 1.758 20 0 EDADMP C[C@H]1CN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000637844870 452112956 /nfs/dbraw/zinc/11/29/56/452112956.db2.gz LPTVEBNQCRTHKN-FUHWJXTLSA-N 3 1 344.503 1.566 20 0 EDADMP CCN1CCC([N@H+]2CCCN(Cc3cc4n(n3)CCC4)CC2)CC1 ZINC000649632169 452175666 /nfs/dbraw/zinc/17/56/66/452175666.db2.gz ZGDVVQGZXGFFBC-UHFFFAOYSA-N 2 1 331.508 1.821 20 0 EDADMP CC[NH+]1CCC(N2CCCN(Cc3cc4n(n3)CCC4)CC2)CC1 ZINC000649632169 452175671 /nfs/dbraw/zinc/17/56/71/452175671.db2.gz ZGDVVQGZXGFFBC-UHFFFAOYSA-N 2 1 331.508 1.821 20 0 EDADMP COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000651937576 452179914 /nfs/dbraw/zinc/17/99/14/452179914.db2.gz PBKDXRORFKTCSK-ZWKOTPCHSA-N 2 1 334.460 1.743 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1)N1CC[NH2+]CC1 ZINC000647486451 452231228 /nfs/dbraw/zinc/23/12/28/452231228.db2.gz REOLXYBNCQKYLG-GOSISDBHSA-N 2 1 338.455 1.879 20 0 EDADMP COC(C)(C)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638005735 452243615 /nfs/dbraw/zinc/24/36/15/452243615.db2.gz WIOCJZSJHCMEFO-UHFFFAOYSA-N 2 1 333.476 1.911 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCC3)C1)[C@@H]1CCC[NH2+]1 ZINC000647509520 452246797 /nfs/dbraw/zinc/24/67/97/452246797.db2.gz JGJKGHLVODHSHE-ZFWWWQNUSA-N 2 1 348.516 1.712 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1)[C@@H]1CCC[NH2+]1 ZINC000647509520 452246810 /nfs/dbraw/zinc/24/68/10/452246810.db2.gz JGJKGHLVODHSHE-ZFWWWQNUSA-N 2 1 348.516 1.712 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000647522252 452257516 /nfs/dbraw/zinc/25/75/16/452257516.db2.gz MHLBENITCIYDLE-UXHICEINSA-N 2 1 328.456 1.673 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000647522252 452257525 /nfs/dbraw/zinc/25/75/25/452257525.db2.gz MHLBENITCIYDLE-UXHICEINSA-N 2 1 328.456 1.673 20 0 EDADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657499276 452281803 /nfs/dbraw/zinc/28/18/03/452281803.db2.gz CBNXVYOULXQDGG-GOSISDBHSA-N 2 1 334.460 1.791 20 0 EDADMP [NH3+]C1(CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCCC1 ZINC000659439170 452287263 /nfs/dbraw/zinc/28/72/63/452287263.db2.gz GZJJCAOVTCKJEK-UHFFFAOYSA-N 2 1 346.475 1.590 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000659450881 452299348 /nfs/dbraw/zinc/29/93/48/452299348.db2.gz HAPRZULOAKYPCZ-KRWDZBQOSA-N 2 1 332.492 1.930 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000659456981 452308581 /nfs/dbraw/zinc/30/85/81/452308581.db2.gz VELKPRBCPUPGOC-KLHDSHLOSA-N 2 1 344.475 1.204 20 0 EDADMP CCCN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CC[N@@H+](C)C1 ZINC000645343902 452322704 /nfs/dbraw/zinc/32/27/04/452322704.db2.gz SCJSPQIELZOBJR-GOEBONIOSA-N 2 1 328.526 1.549 20 0 EDADMP O=C(Cc1cccc2c1CC[NH2+]C2)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000638051534 452323605 /nfs/dbraw/zinc/32/36/05/452323605.db2.gz KGZCZVCXMLKOST-SFHVURJKSA-N 2 1 343.471 1.198 20 0 EDADMP CCO[C@@H]1CN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652129059 452326577 /nfs/dbraw/zinc/32/65/77/452326577.db2.gz UIFMWBKHOVFKKM-BRWVUGGUSA-N 2 1 340.512 1.504 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(CCO)CC1 ZINC000665757883 452326936 /nfs/dbraw/zinc/32/69/36/452326936.db2.gz ZCYKJDUWUNALOS-HNNXBMFYSA-N 2 1 328.501 1.062 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(CCO)CC1 ZINC000665757883 452326943 /nfs/dbraw/zinc/32/69/43/452326943.db2.gz ZCYKJDUWUNALOS-HNNXBMFYSA-N 2 1 328.501 1.062 20 0 EDADMP C[NH+]1CCN(CC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000654243483 452343307 /nfs/dbraw/zinc/34/33/07/452343307.db2.gz WBRYJYGWRAGVCT-UHFFFAOYSA-N 2 1 338.540 1.593 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1(O)CCC(C)CC1 ZINC000665764497 452348077 /nfs/dbraw/zinc/34/80/77/452348077.db2.gz GVMRHGVJHDMQKX-PQUAAJSLSA-N 2 1 342.528 1.499 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1(O)CCC(C)CC1 ZINC000665764497 452348089 /nfs/dbraw/zinc/34/80/89/452348089.db2.gz GVMRHGVJHDMQKX-PQUAAJSLSA-N 2 1 342.528 1.499 20 0 EDADMP CC[C@@H]1COC(C)(C)CN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665764164 452349342 /nfs/dbraw/zinc/34/93/42/452349342.db2.gz WFYUJYKSVVGYGW-JKSUJKDBSA-N 2 1 342.528 1.857 20 0 EDADMP CC[C@@H]1COC(C)(C)CN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665764164 452349353 /nfs/dbraw/zinc/34/93/53/452349353.db2.gz WFYUJYKSVVGYGW-JKSUJKDBSA-N 2 1 342.528 1.857 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000638059660 452350541 /nfs/dbraw/zinc/35/05/41/452350541.db2.gz VESZUSBIHBXMEO-MSOLQXFVSA-N 2 1 349.475 1.038 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000638065515 452367402 /nfs/dbraw/zinc/36/74/02/452367402.db2.gz UJFCRVZRLNSJFS-SFHVURJKSA-N 2 1 333.476 1.899 20 0 EDADMP COc1ncncc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657598243 452368019 /nfs/dbraw/zinc/36/80/19/452368019.db2.gz ZGMHAAJKXCVTLB-KRWDZBQOSA-N 2 1 328.416 1.342 20 0 EDADMP COc1ncncc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657598243 452368024 /nfs/dbraw/zinc/36/80/24/452368024.db2.gz ZGMHAAJKXCVTLB-KRWDZBQOSA-N 2 1 328.416 1.342 20 0 EDADMP CC[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000638067134 452369421 /nfs/dbraw/zinc/36/94/21/452369421.db2.gz AQBYFESFIDCCHD-PKOBYXMFSA-N 2 1 331.460 1.318 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000638079195 452393296 /nfs/dbraw/zinc/39/32/96/452393296.db2.gz COOKLBLJPSJLDV-LJQANCHMSA-N 2 1 341.455 1.813 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654350242 452402050 /nfs/dbraw/zinc/40/20/50/452402050.db2.gz CMJSSPHYNFXNIB-OAGGEKHMSA-N 2 1 340.512 1.656 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654350242 452402057 /nfs/dbraw/zinc/40/20/57/452402057.db2.gz CMJSSPHYNFXNIB-OAGGEKHMSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659549914 452407337 /nfs/dbraw/zinc/40/73/37/452407337.db2.gz UNVOGNSWKRGDHC-BZUAXINKSA-N 2 1 338.496 1.447 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654374881 452428346 /nfs/dbraw/zinc/42/83/46/452428346.db2.gz VTHCQPSDTGCPAI-TWMKSMIVSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654374881 452428353 /nfs/dbraw/zinc/42/83/53/452428353.db2.gz VTHCQPSDTGCPAI-TWMKSMIVSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCC[C@@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654374881 452428360 /nfs/dbraw/zinc/42/83/60/452428360.db2.gz VTHCQPSDTGCPAI-TWMKSMIVSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCC[C@@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654374881 452428368 /nfs/dbraw/zinc/42/83/68/452428368.db2.gz VTHCQPSDTGCPAI-TWMKSMIVSA-N 2 1 340.512 1.515 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659580205 452435042 /nfs/dbraw/zinc/43/50/42/452435042.db2.gz YLZNGXNPSPBPHS-QZTJIDSGSA-N 2 1 328.460 1.693 20 0 EDADMP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CC[NH+](C2CC2)CC1 ZINC000659585161 452441165 /nfs/dbraw/zinc/44/11/65/452441165.db2.gz JMZJOUUEPGRBSC-ROUUACIJSA-N 2 1 346.450 1.761 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000654389326 452443161 /nfs/dbraw/zinc/44/31/61/452443161.db2.gz PZCWSZGBKQJXAJ-MRXNPFEDSA-N 2 1 345.447 1.605 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@](O)(C2CC2)C1)c1ccccc1 ZINC000661629683 452450328 /nfs/dbraw/zinc/45/03/28/452450328.db2.gz ZZZBWRNZHIZQRM-UYAOXDASSA-N 2 1 345.487 1.642 20 0 EDADMP CC[NH+]1CCC(CNC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654419028 452471911 /nfs/dbraw/zinc/47/19/11/452471911.db2.gz GLZQOSLQEWLFHW-HRCADAONSA-N 2 1 340.512 1.515 20 0 EDADMP CC[NH+]1CCC(CNC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654419028 452471924 /nfs/dbraw/zinc/47/19/24/452471924.db2.gz GLZQOSLQEWLFHW-HRCADAONSA-N 2 1 340.512 1.515 20 0 EDADMP CC[NH+]1CCN(c2ncnc(N3CC[N@H+](CC)[C@@H](C)C3)c2C)C[C@H]1C ZINC000663745242 452476689 /nfs/dbraw/zinc/47/66/89/452476689.db2.gz UMUYCJWCPFRFTR-IYBDPMFKSA-N 2 1 346.523 1.846 20 0 EDADMP CC[NH+]1CCN(c2ncnc(N3CC[N@H+](CC)[C@H](C)C3)c2C)C[C@@H]1C ZINC000663745242 452476693 /nfs/dbraw/zinc/47/66/93/452476693.db2.gz UMUYCJWCPFRFTR-IYBDPMFKSA-N 2 1 346.523 1.846 20 0 EDADMP CC[NH+]1CCN(c2ncnc(N3CC[N@@H+](CC)[C@H](C)C3)c2C)C[C@@H]1C ZINC000663745242 452476698 /nfs/dbraw/zinc/47/66/98/452476698.db2.gz UMUYCJWCPFRFTR-IYBDPMFKSA-N 2 1 346.523 1.846 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCC23CC(C2)C[NH2+]3)C[C@@H](C)O1 ZINC000659619024 452477052 /nfs/dbraw/zinc/47/70/52/452477052.db2.gz SUXKCSLFUZMFHD-HJODHOHWSA-N 2 1 336.480 1.022 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652313481 452488513 /nfs/dbraw/zinc/48/85/13/452488513.db2.gz XFGWHTPZUWMHFQ-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652313481 452488524 /nfs/dbraw/zinc/48/85/24/452488524.db2.gz XFGWHTPZUWMHFQ-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@H]3CCCO3)CC2)CC1 ZINC000654443660 452503748 /nfs/dbraw/zinc/50/37/48/452503748.db2.gz WBRYSGDLXHPBIU-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652338205 452508537 /nfs/dbraw/zinc/50/85/37/452508537.db2.gz JPDXKEOCCJGDQP-JSGCOSHPSA-N 2 1 339.402 1.080 20 0 EDADMP CC(C)C[N@@H+]1CCO[C@H](CNC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655683095 452508668 /nfs/dbraw/zinc/50/86/68/452508668.db2.gz PAMIAJZMUBKVHL-QZTJIDSGSA-N 2 1 325.497 1.186 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655683095 452508673 /nfs/dbraw/zinc/50/86/73/452508673.db2.gz PAMIAJZMUBKVHL-QZTJIDSGSA-N 2 1 325.497 1.186 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)NCc3cccs3)C2)C1 ZINC000652345959 452518680 /nfs/dbraw/zinc/51/86/80/452518680.db2.gz PYUFGGZWEUQLFX-SQWLQELKSA-N 2 1 337.489 1.583 20 0 EDADMP Cc1ccc(C(=O)NCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655698034 452519903 /nfs/dbraw/zinc/51/99/03/452519903.db2.gz ZUSKBQGSAKQQJX-SFHVURJKSA-N 2 1 331.460 1.568 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663790437 452521976 /nfs/dbraw/zinc/52/19/76/452521976.db2.gz BMCWETOUWGAYLK-DLBZAZTESA-N 2 1 341.544 1.290 20 0 EDADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347265 452522591 /nfs/dbraw/zinc/52/25/91/452522591.db2.gz XFIZOLKFJLSLHY-NXOAAHMSSA-N 2 1 325.497 1.900 20 0 EDADMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2)CC1 ZINC000647789745 452523128 /nfs/dbraw/zinc/52/31/28/452523128.db2.gz KMBXPXWUNLJCQJ-CEXWTWQISA-N 2 1 343.519 1.701 20 0 EDADMP NC(=O)c1cccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655724349 452536743 /nfs/dbraw/zinc/53/67/43/452536743.db2.gz BHDLSHQJFZIESW-GOSISDBHSA-N 2 1 331.460 1.561 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)NCc2ccc(F)cc2)C1 ZINC000652360161 452542626 /nfs/dbraw/zinc/54/26/26/452542626.db2.gz BVFPHSIHUINOHU-KURKYZTESA-N 2 1 349.450 1.803 20 0 EDADMP CC(C)(C)CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652362131 452543431 /nfs/dbraw/zinc/54/34/31/452543431.db2.gz YPFKEVLJUNIRKZ-BZUAXINKSA-N 2 1 325.497 1.900 20 0 EDADMP C[C@@H](NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000654482526 452554921 /nfs/dbraw/zinc/55/49/21/452554921.db2.gz NUYPDBRPFURRHD-CAOSSQGBSA-N 2 1 342.528 1.760 20 0 EDADMP C[C@@H](NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000654482526 452554929 /nfs/dbraw/zinc/55/49/29/452554929.db2.gz NUYPDBRPFURRHD-CAOSSQGBSA-N 2 1 342.528 1.760 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000647834764 452567323 /nfs/dbraw/zinc/56/73/23/452567323.db2.gz POORAWUXKWTMLS-GOSISDBHSA-N 2 1 330.476 1.017 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000647834764 452567332 /nfs/dbraw/zinc/56/73/32/452567332.db2.gz POORAWUXKWTMLS-GOSISDBHSA-N 2 1 330.476 1.017 20 0 EDADMP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835947 452573700 /nfs/dbraw/zinc/57/37/00/452573700.db2.gz VRXWRYQBYXKGNL-INIZCTEOSA-N 2 1 348.491 1.052 20 0 EDADMP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835947 452573712 /nfs/dbraw/zinc/57/37/12/452573712.db2.gz VRXWRYQBYXKGNL-INIZCTEOSA-N 2 1 348.491 1.052 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666088841 452577909 /nfs/dbraw/zinc/57/79/09/452577909.db2.gz UYKQSXMAQSMCAB-OAHLLOKOSA-N 2 1 335.879 1.951 20 0 EDADMP COC[C@@H](CC1CCOCC1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657874213 452584733 /nfs/dbraw/zinc/58/47/33/452584733.db2.gz YKDHNNWHSVDMEI-GOSISDBHSA-N 2 1 327.513 1.435 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](C3CC3)[C@H]3CCCCO3)cn2)CC1 ZINC000655810855 452590709 /nfs/dbraw/zinc/59/07/09/452590709.db2.gz HMOSEFJQJDLRCY-MSOLQXFVSA-N 2 1 345.491 1.666 20 0 EDADMP COCCC[N@@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000647873535 452612747 /nfs/dbraw/zinc/61/27/47/452612747.db2.gz WXGINCLXFGONCA-MRXNPFEDSA-N 2 1 332.510 1.292 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000645621464 452617331 /nfs/dbraw/zinc/61/73/31/452617331.db2.gz FYWUHXQHFZSMNE-DOTOQJQBSA-N 2 1 344.459 1.158 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659725519 452618898 /nfs/dbraw/zinc/61/88/98/452618898.db2.gz XUXDDJXDFMDULQ-CJNGLKHVSA-N 2 1 346.475 1.312 20 0 EDADMP Cc1cc(CO)cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[nH+]1 ZINC000663908136 452635298 /nfs/dbraw/zinc/63/52/98/452635298.db2.gz ZTNGVCKKGPINTC-MQVJKMGUSA-N 2 1 332.448 1.378 20 0 EDADMP Cc1cc(CO)cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[nH+]1 ZINC000663908136 452635305 /nfs/dbraw/zinc/63/53/05/452635305.db2.gz ZTNGVCKKGPINTC-MQVJKMGUSA-N 2 1 332.448 1.378 20 0 EDADMP C[C@@H]1CN(c2cnc(N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)cn2)C[C@H](C)[NH+]1C ZINC000663941219 452661313 /nfs/dbraw/zinc/66/13/13/452661313.db2.gz IDTPJHFGPGSCPO-GEEKYZPCSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000655915146 452675524 /nfs/dbraw/zinc/67/55/24/452675524.db2.gz ROXARRWWEHNKGT-FZMZJTMJSA-N 2 1 344.381 1.622 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](C)COC)CC2)CC1 ZINC000654607572 452695123 /nfs/dbraw/zinc/69/51/23/452695123.db2.gz OQMZKTQBTDWWET-OAHLLOKOSA-N 2 1 325.497 1.581 20 0 EDADMP Cc1ncccc1C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000655940755 452710797 /nfs/dbraw/zinc/71/07/97/452710797.db2.gz WXKGNIYVMVNKKW-IAGOWNOFSA-N 2 1 329.448 1.110 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650216 452744289 /nfs/dbraw/zinc/74/42/89/452744289.db2.gz VDLINHGWOMYETJ-MWDXBVQZSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650216 452744297 /nfs/dbraw/zinc/74/42/97/452744297.db2.gz VDLINHGWOMYETJ-MWDXBVQZSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650216 452744306 /nfs/dbraw/zinc/74/43/06/452744306.db2.gz VDLINHGWOMYETJ-MWDXBVQZSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650216 452744315 /nfs/dbraw/zinc/74/43/15/452744315.db2.gz VDLINHGWOMYETJ-MWDXBVQZSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658134647 452746570 /nfs/dbraw/zinc/74/65/70/452746570.db2.gz BBFOKLZIPYXCSN-BEFAXECRSA-N 2 1 326.444 1.764 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652498 452756662 /nfs/dbraw/zinc/75/66/62/452756662.db2.gz NJYSJRZQPPJRPS-CAOSSQGBSA-N 2 1 326.485 1.077 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652498 452756670 /nfs/dbraw/zinc/75/66/70/452756670.db2.gz NJYSJRZQPPJRPS-CAOSSQGBSA-N 2 1 326.485 1.077 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655228 452764652 /nfs/dbraw/zinc/76/46/52/452764652.db2.gz DZHJPQTUSIJKHB-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655228 452764661 /nfs/dbraw/zinc/76/46/61/452764661.db2.gz DZHJPQTUSIJKHB-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[NH+]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655228 452764669 /nfs/dbraw/zinc/76/46/69/452764669.db2.gz DZHJPQTUSIJKHB-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[NH+]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655228 452764675 /nfs/dbraw/zinc/76/46/75/452764675.db2.gz DZHJPQTUSIJKHB-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000652696353 452843988 /nfs/dbraw/zinc/84/39/88/452843988.db2.gz KKVWJHPMUHXGAZ-OAHLLOKOSA-N 2 1 338.496 1.016 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)[C@H]2C1 ZINC000648175715 452887672 /nfs/dbraw/zinc/88/76/72/452887672.db2.gz OMMHVJGBQIOKES-ROUUACIJSA-N 2 1 343.471 1.239 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000648178165 452891468 /nfs/dbraw/zinc/89/14/68/452891468.db2.gz XEAHJJKCBYFWRB-SJLPKXTDSA-N 3 1 344.503 1.436 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000648178165 452891476 /nfs/dbraw/zinc/89/14/76/452891476.db2.gz XEAHJJKCBYFWRB-SJLPKXTDSA-N 2 1 344.503 1.436 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000648178165 452891484 /nfs/dbraw/zinc/89/14/84/452891484.db2.gz XEAHJJKCBYFWRB-SJLPKXTDSA-N 2 1 344.503 1.436 20 0 EDADMP CN1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000650720267 452950500 /nfs/dbraw/zinc/95/05/00/452950500.db2.gz KDPVPSIERFPWIW-OALUTQOASA-N 2 1 344.503 1.042 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)C(C)(C)O)CC2)CC1 ZINC000654850277 452973744 /nfs/dbraw/zinc/97/37/44/452973744.db2.gz KECKJLRPRIIJEC-CQSZACIVSA-N 2 1 325.497 1.458 20 0 EDADMP CCc1ccc(C[NH+]2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)s1 ZINC000662261334 452990913 /nfs/dbraw/zinc/99/09/13/452990913.db2.gz IDGKPBZVGROUSZ-HNNXBMFYSA-N 2 1 335.517 1.949 20 0 EDADMP CC(C)(C)n1nnc(CC[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000662284564 453009487 /nfs/dbraw/zinc/00/94/87/453009487.db2.gz NLQJCNHSTUMOGG-RRFJBIMHSA-N 2 1 336.484 1.331 20 0 EDADMP O=C(CC[NH2+]C1(CO)CC[NH2+]CC1)Nc1cccc2ccccc21 ZINC000662286051 453009718 /nfs/dbraw/zinc/00/97/18/453009718.db2.gz RYWQKZJDXLTFLR-UHFFFAOYSA-N 2 1 327.428 1.873 20 0 EDADMP CS(=O)(=O)[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000662297982 453020227 /nfs/dbraw/zinc/02/02/27/453020227.db2.gz KVNGKQVUZUIFCG-CHWSQXEVSA-N 2 1 342.427 1.674 20 0 EDADMP CS(=O)(=O)[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000662297982 453020233 /nfs/dbraw/zinc/02/02/33/453020233.db2.gz KVNGKQVUZUIFCG-CHWSQXEVSA-N 2 1 342.427 1.674 20 0 EDADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888829 453054595 /nfs/dbraw/zinc/05/45/95/453054595.db2.gz XAXBYJYGKNIVPK-GOSISDBHSA-N 2 1 329.444 1.173 20 0 EDADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888829 453054604 /nfs/dbraw/zinc/05/46/04/453054604.db2.gz XAXBYJYGKNIVPK-GOSISDBHSA-N 2 1 329.444 1.173 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662341508 453058603 /nfs/dbraw/zinc/05/86/03/453058603.db2.gz QRFYENUTEOSHTR-HZPDHXFCSA-N 2 1 339.443 1.491 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000664406105 453067107 /nfs/dbraw/zinc/06/71/07/453067107.db2.gz POYVJWJNDMDNDY-YQQAZPJKSA-N 3 1 339.528 1.040 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000664406105 453067111 /nfs/dbraw/zinc/06/71/11/453067111.db2.gz POYVJWJNDMDNDY-YQQAZPJKSA-N 3 1 339.528 1.040 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000664406105 453067119 /nfs/dbraw/zinc/06/71/19/453067119.db2.gz POYVJWJNDMDNDY-YQQAZPJKSA-N 3 1 339.528 1.040 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000664406105 453067133 /nfs/dbraw/zinc/06/71/33/453067133.db2.gz POYVJWJNDMDNDY-YQQAZPJKSA-N 3 1 339.528 1.040 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065458 453076518 /nfs/dbraw/zinc/07/65/18/453076518.db2.gz GXDIQUFBHQEYML-SZMVWBNQSA-N 2 1 333.476 1.766 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065458 453076532 /nfs/dbraw/zinc/07/65/32/453076532.db2.gz GXDIQUFBHQEYML-SZMVWBNQSA-N 2 1 333.476 1.766 20 0 EDADMP C[C@@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065483 453078369 /nfs/dbraw/zinc/07/83/69/453078369.db2.gz LASQVQLKWRLBTQ-WBVHZDCISA-N 2 1 331.460 1.521 20 0 EDADMP C[C@@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065483 453078378 /nfs/dbraw/zinc/07/83/78/453078378.db2.gz LASQVQLKWRLBTQ-WBVHZDCISA-N 2 1 331.460 1.521 20 0 EDADMP C[C@H](NC(=O)C1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065542 453078401 /nfs/dbraw/zinc/07/84/01/453078401.db2.gz QFUSKHZDPIWIRX-YJBOKZPZSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H](NC(=O)C1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065542 453078409 /nfs/dbraw/zinc/07/84/09/453078409.db2.gz QFUSKHZDPIWIRX-YJBOKZPZSA-N 2 1 331.460 1.392 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C3C[NH+](C4CCCCC4)C3)C2)CC1 ZINC000654969064 453089002 /nfs/dbraw/zinc/08/90/02/453089002.db2.gz NMNPAWLVAQGOQZ-QGZVFWFLSA-N 2 1 348.535 1.536 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C3C[NH+](C4CCCCC4)C3)C2)CC1 ZINC000654969064 453089010 /nfs/dbraw/zinc/08/90/10/453089010.db2.gz NMNPAWLVAQGOQZ-QGZVFWFLSA-N 2 1 348.535 1.536 20 0 EDADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660156861 453090484 /nfs/dbraw/zinc/09/04/84/453090484.db2.gz SCZJMAIVEAJXSA-RHQZKXFESA-N 2 1 348.535 1.392 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662386374 453094154 /nfs/dbraw/zinc/09/41/54/453094154.db2.gz FTSHNZVSDTUAAW-OWCLPIDISA-N 2 1 347.507 1.975 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000662390535 453100797 /nfs/dbraw/zinc/10/07/97/453100797.db2.gz LPDUVJATGZSEKB-IBGZPJMESA-N 2 1 346.519 1.699 20 0 EDADMP CCN(C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000664448818 453105323 /nfs/dbraw/zinc/10/53/23/453105323.db2.gz TVGANVLVFPBNIX-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP CCN(C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000664448818 453105326 /nfs/dbraw/zinc/10/53/26/453105326.db2.gz TVGANVLVFPBNIX-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP C[NH2+][C@H](C(=O)NCCN1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000662399684 453110405 /nfs/dbraw/zinc/11/04/05/453110405.db2.gz ADARCFYEGFWVJS-AWEZNQCLSA-N 2 1 345.274 1.275 20 0 EDADMP [NH3+]C1(CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCC1 ZINC000644198908 453128311 /nfs/dbraw/zinc/12/83/11/453128311.db2.gz BIUJOVIGDFBOEE-DLBZAZTESA-N 2 1 328.460 1.784 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)CCO1 ZINC000662430641 453138891 /nfs/dbraw/zinc/13/88/91/453138891.db2.gz AGGPYBZRMXKFOF-TVYUQYBPSA-N 2 1 342.237 1.024 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC([C@H]4CCOC4)C3)CC2)CC1 ZINC000655041734 453161219 /nfs/dbraw/zinc/16/12/19/453161219.db2.gz XMCDUIRLQZFFSZ-KRWDZBQOSA-N 2 1 349.519 1.678 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)N1CCOCC1 ZINC000660297718 453186072 /nfs/dbraw/zinc/18/60/72/453186072.db2.gz OPUMUVUIXLHKHN-JKSUJKDBSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000660297718 453186097 /nfs/dbraw/zinc/18/60/97/453186097.db2.gz OPUMUVUIXLHKHN-JKSUJKDBSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2csc(C[NH3+])n2)CC1 ZINC000646262435 453267746 /nfs/dbraw/zinc/26/77/46/453267746.db2.gz VXZMUVYCUCXLFS-GFCCVEGCSA-N 2 1 345.472 1.952 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000664648144 453284639 /nfs/dbraw/zinc/28/46/39/453284639.db2.gz POKBQYXDIFPOTJ-OAHLLOKOSA-N 2 1 328.501 1.517 20 0 EDADMP CN(C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000666972951 453288404 /nfs/dbraw/zinc/28/84/04/453288404.db2.gz LSXSXOUNYJGQTE-IAGOWNOFSA-N 2 1 336.480 1.118 20 0 EDADMP CC[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000653110066 453295372 /nfs/dbraw/zinc/29/53/72/453295372.db2.gz WUHRXTWPULNCGO-MSOLQXFVSA-N 2 1 332.492 1.219 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000648814170 453297315 /nfs/dbraw/zinc/29/73/15/453297315.db2.gz QBJYZIBABQFDOT-CVEARBPZSA-N 2 1 334.464 1.577 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000648814173 453297674 /nfs/dbraw/zinc/29/76/74/453297674.db2.gz QBJYZIBABQFDOT-JKSUJKDBSA-N 2 1 334.464 1.577 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653119196 453309276 /nfs/dbraw/zinc/30/92/76/453309276.db2.gz BCMPDGXBAARQSN-ROUUACIJSA-N 2 1 332.492 1.246 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653125018 453319993 /nfs/dbraw/zinc/31/99/93/453319993.db2.gz QCYMPGYKOFLZMW-ROUUACIJSA-N 2 1 344.503 1.703 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000648857537 453333293 /nfs/dbraw/zinc/33/32/93/453333293.db2.gz DAIVKUXNNMUFCY-ZTFGCOKTSA-N 2 1 331.460 1.210 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000648857537 453333297 /nfs/dbraw/zinc/33/32/97/453333297.db2.gz DAIVKUXNNMUFCY-ZTFGCOKTSA-N 2 1 331.460 1.210 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000648857537 453333299 /nfs/dbraw/zinc/33/32/99/453333299.db2.gz DAIVKUXNNMUFCY-ZTFGCOKTSA-N 2 1 331.460 1.210 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000660486685 453342939 /nfs/dbraw/zinc/34/29/39/453342939.db2.gz MEGULQCVUZNWDL-DZGCQCFKSA-N 2 1 339.446 1.940 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000648871513 453346562 /nfs/dbraw/zinc/34/65/62/453346562.db2.gz RHGHWGUPVNLMJE-LSDHHAIUSA-N 2 1 336.480 1.700 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000648871513 453346576 /nfs/dbraw/zinc/34/65/76/453346576.db2.gz RHGHWGUPVNLMJE-LSDHHAIUSA-N 2 1 336.480 1.700 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000653180368 453369059 /nfs/dbraw/zinc/36/90/59/453369059.db2.gz YKECOILNZJMJJG-GOSISDBHSA-N 2 1 346.475 1.273 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000653180368 453369067 /nfs/dbraw/zinc/36/90/67/453369067.db2.gz YKECOILNZJMJJG-GOSISDBHSA-N 2 1 346.475 1.273 20 0 EDADMP CCN(C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000664754918 453375377 /nfs/dbraw/zinc/37/53/77/453375377.db2.gz MPQKUXFGOMDOHI-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000662667721 453379720 /nfs/dbraw/zinc/37/97/20/453379720.db2.gz DGXBQPUUENANIC-ZBFHGGJFSA-N 2 1 346.479 1.339 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000658784823 453391845 /nfs/dbraw/zinc/39/18/45/453391845.db2.gz SWGKSKBDMKBXNN-CYBMUJFWSA-N 2 1 329.404 1.182 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000658784823 453391854 /nfs/dbraw/zinc/39/18/54/453391854.db2.gz SWGKSKBDMKBXNN-CYBMUJFWSA-N 2 1 329.404 1.182 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000660559631 453402487 /nfs/dbraw/zinc/40/24/87/453402487.db2.gz AUNWOPVWTUACEC-OALUTQOASA-N 2 1 338.467 1.754 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000660559631 453402493 /nfs/dbraw/zinc/40/24/93/453402493.db2.gz AUNWOPVWTUACEC-OALUTQOASA-N 2 1 338.467 1.754 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000660559631 453402501 /nfs/dbraw/zinc/40/25/01/453402501.db2.gz AUNWOPVWTUACEC-OALUTQOASA-N 2 1 338.467 1.754 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000660559631 453402510 /nfs/dbraw/zinc/40/25/10/453402510.db2.gz AUNWOPVWTUACEC-OALUTQOASA-N 2 1 338.467 1.754 20 0 EDADMP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000662692051 453411566 /nfs/dbraw/zinc/41/15/66/453411566.db2.gz MRRMWFHMAIMSMW-QGZVFWFLSA-N 2 1 331.460 1.888 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000662697572 453418681 /nfs/dbraw/zinc/41/86/81/453418681.db2.gz GJYXTURIPCQBHN-SHTZXODSSA-N 2 1 330.432 1.140 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1OC ZINC000656789757 453446836 /nfs/dbraw/zinc/44/68/36/453446836.db2.gz XIYIWYXSAXRQCA-UHFFFAOYSA-N 2 1 335.448 1.571 20 0 EDADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1cnn(C)c1 ZINC000655334621 453455959 /nfs/dbraw/zinc/45/59/59/453455959.db2.gz QRVCDUFJJIEVNN-UHFFFAOYSA-N 2 1 347.507 1.969 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000662740787 453466281 /nfs/dbraw/zinc/46/62/81/453466281.db2.gz BXTNNGVEAZVMKW-IEBWSBKVSA-N 2 1 344.503 1.309 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000662740787 453466289 /nfs/dbraw/zinc/46/62/89/453466289.db2.gz BXTNNGVEAZVMKW-IEBWSBKVSA-N 2 1 344.503 1.309 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000662743347 453470837 /nfs/dbraw/zinc/47/08/37/453470837.db2.gz YIFJNDDCPCHKKD-MSOLQXFVSA-N 2 1 330.476 1.046 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000662744512 453472492 /nfs/dbraw/zinc/47/24/92/453472492.db2.gz PFSGVWLFKVKRIY-GUDVDZBRSA-N 2 1 344.503 1.436 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000662744512 453472500 /nfs/dbraw/zinc/47/25/00/453472500.db2.gz PFSGVWLFKVKRIY-GUDVDZBRSA-N 2 1 344.503 1.436 20 0 EDADMP Cc1cc(NC(=O)CN2CC[NH+](C)CC2)ccc1OCC[NH+](C)C ZINC000655360239 453480181 /nfs/dbraw/zinc/48/01/81/453480181.db2.gz UGALBARKMNRDLA-UHFFFAOYSA-N 2 1 334.464 1.121 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000662750862 453485243 /nfs/dbraw/zinc/48/52/43/453485243.db2.gz UYZIQLOMYBXCNF-KBAYOESNSA-N 2 1 331.460 1.473 20 0 EDADMP COC1(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCCC1 ZINC000664971752 453524585 /nfs/dbraw/zinc/52/45/85/453524585.db2.gz UTSYFIZGNIJMBD-HNNXBMFYSA-N 2 1 328.501 1.517 20 0 EDADMP COC1(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCCC1 ZINC000664971752 453524591 /nfs/dbraw/zinc/52/45/91/453524591.db2.gz UTSYFIZGNIJMBD-HNNXBMFYSA-N 2 1 328.501 1.517 20 0 EDADMP Cc1cccnc1CCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665027357 453546604 /nfs/dbraw/zinc/54/66/04/453546604.db2.gz IEQOVUUNNXOCCD-INIZCTEOSA-N 2 1 335.496 1.504 20 0 EDADMP Cc1cccnc1CCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665027357 453546605 /nfs/dbraw/zinc/54/66/05/453546605.db2.gz IEQOVUUNNXOCCD-INIZCTEOSA-N 2 1 335.496 1.504 20 0 EDADMP CCC[C@@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)CC[N@H+]1CCOC ZINC000662825964 453553552 /nfs/dbraw/zinc/55/35/52/453553552.db2.gz PNASEBAABBGNTL-QGZVFWFLSA-N 2 1 345.487 1.905 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000662860517 453574807 /nfs/dbraw/zinc/57/48/07/453574807.db2.gz SCQHQRIIYCHPIE-ZWKOTPCHSA-N 2 1 331.460 1.259 20 0 EDADMP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000665240856 453621043 /nfs/dbraw/zinc/62/10/43/453621043.db2.gz ULJGFERAHQFCSK-MNEFBYGVSA-N 2 1 333.476 1.110 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000665282886 453633931 /nfs/dbraw/zinc/63/39/31/453633931.db2.gz DLBAFDJXNSBASN-FRYIKTPZSA-N 2 1 346.519 1.145 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000665282886 453633937 /nfs/dbraw/zinc/63/39/37/453633937.db2.gz DLBAFDJXNSBASN-FRYIKTPZSA-N 2 1 346.519 1.145 20 0 EDADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000665291124 453637778 /nfs/dbraw/zinc/63/77/78/453637778.db2.gz VAGDMERWNMBNLH-GFCCVEGCSA-N 2 1 329.404 1.456 20 0 EDADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000661036118 453689053 /nfs/dbraw/zinc/68/90/53/453689053.db2.gz DZRPKKNFZNOQGR-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000661036118 453689055 /nfs/dbraw/zinc/68/90/55/453689055.db2.gz DZRPKKNFZNOQGR-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000661036118 453689056 /nfs/dbraw/zinc/68/90/56/453689056.db2.gz DZRPKKNFZNOQGR-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000665557279 453749209 /nfs/dbraw/zinc/74/92/09/453749209.db2.gz QIYHQDSLPUOOSS-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000665557279 453749212 /nfs/dbraw/zinc/74/92/12/453749212.db2.gz QIYHQDSLPUOOSS-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000657295144 453759529 /nfs/dbraw/zinc/75/95/29/453759529.db2.gz ZEOBHFMUOVMHGJ-SQNIBIBYSA-N 2 1 331.460 1.516 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000657295144 453759533 /nfs/dbraw/zinc/75/95/33/453759533.db2.gz ZEOBHFMUOVMHGJ-SQNIBIBYSA-N 2 1 331.460 1.516 20 0 EDADMP CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665636656 453778082 /nfs/dbraw/zinc/77/80/82/453778082.db2.gz FMFVFJLPZZKDOA-ARFHVFGLSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665636656 453778084 /nfs/dbraw/zinc/77/80/84/453778084.db2.gz FMFVFJLPZZKDOA-ARFHVFGLSA-N 2 1 328.501 1.467 20 0 EDADMP CCn1cc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cn1 ZINC000663512534 453813354 /nfs/dbraw/zinc/81/33/54/453813354.db2.gz OEMPZOUCSOVKJM-MRXNPFEDSA-N 2 1 343.479 1.415 20 0 EDADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662749541 486661621 /nfs/dbraw/zinc/66/16/21/486661621.db2.gz JLHAHXBKOQPAEE-DOMZBBRYSA-N 2 1 329.391 1.438 20 0 EDADMP C[C@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676242566 486702880 /nfs/dbraw/zinc/70/28/80/486702880.db2.gz YDNKJMJEBKSHFW-JKSUJKDBSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676242566 486702884 /nfs/dbraw/zinc/70/28/84/486702884.db2.gz YDNKJMJEBKSHFW-JKSUJKDBSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676243457 486703434 /nfs/dbraw/zinc/70/34/34/486703434.db2.gz NEAACCROGZFUKD-YYIAUSFCSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676243457 486703435 /nfs/dbraw/zinc/70/34/35/486703435.db2.gz NEAACCROGZFUKD-YYIAUSFCSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676243457 486703438 /nfs/dbraw/zinc/70/34/38/486703438.db2.gz NEAACCROGZFUKD-YYIAUSFCSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243457 486703441 /nfs/dbraw/zinc/70/34/41/486703441.db2.gz NEAACCROGZFUKD-YYIAUSFCSA-N 2 1 340.512 1.373 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000676250303 486708111 /nfs/dbraw/zinc/70/81/11/486708111.db2.gz GJWFPDNQLCWDAN-PMPSAXMXSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000676250303 486708113 /nfs/dbraw/zinc/70/81/13/486708113.db2.gz GJWFPDNQLCWDAN-PMPSAXMXSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000676250303 486708116 /nfs/dbraw/zinc/70/81/16/486708116.db2.gz GJWFPDNQLCWDAN-PMPSAXMXSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000676250303 486708117 /nfs/dbraw/zinc/70/81/17/486708117.db2.gz GJWFPDNQLCWDAN-PMPSAXMXSA-N 2 1 326.485 1.079 20 0 EDADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000676304809 486728814 /nfs/dbraw/zinc/72/88/14/486728814.db2.gz MQYNYZRYJCPABL-WBVHZDCISA-N 2 1 340.512 1.469 20 0 EDADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000676304809 486728820 /nfs/dbraw/zinc/72/88/20/486728820.db2.gz MQYNYZRYJCPABL-WBVHZDCISA-N 2 1 340.512 1.469 20 0 EDADMP CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000676413874 486762762 /nfs/dbraw/zinc/76/27/62/486762762.db2.gz JXMCIEAPAOYOCD-GOSISDBHSA-N 2 1 333.476 1.975 20 0 EDADMP CC(C)[NH+]1CCC(N2CC[NH+](CCn3ccccc3=O)CC2)CC1 ZINC000676709377 486848408 /nfs/dbraw/zinc/84/84/08/486848408.db2.gz AHXYOWAOTGOJPP-UHFFFAOYSA-N 2 1 332.492 1.339 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000667854127 486993319 /nfs/dbraw/zinc/99/33/19/486993319.db2.gz ITMKCWYQLBPYSW-KRWDZBQOSA-N 2 1 330.432 1.618 20 0 EDADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673519134 487043236 /nfs/dbraw/zinc/04/32/36/487043236.db2.gz YXKZITKFPPWUCI-FHWLQOOXSA-N 2 1 343.471 1.319 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000673519134 487043243 /nfs/dbraw/zinc/04/32/43/487043243.db2.gz YXKZITKFPPWUCI-FHWLQOOXSA-N 2 1 343.471 1.319 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000673519134 487043246 /nfs/dbraw/zinc/04/32/46/487043246.db2.gz YXKZITKFPPWUCI-FHWLQOOXSA-N 2 1 343.471 1.319 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000677303445 487036952 /nfs/dbraw/zinc/03/69/52/487036952.db2.gz DJTWSDMXPSTVDL-DOTOQJQBSA-N 2 1 338.496 1.413 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000673531109 487049949 /nfs/dbraw/zinc/04/99/49/487049949.db2.gz NEJXKSFXALAABQ-ZWKOTPCHSA-N 2 1 331.460 1.224 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000673531109 487049952 /nfs/dbraw/zinc/04/99/52/487049952.db2.gz NEJXKSFXALAABQ-ZWKOTPCHSA-N 2 1 331.460 1.224 20 0 EDADMP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000673559388 487061368 /nfs/dbraw/zinc/06/13/68/487061368.db2.gz WOJWNPFBOLXAOZ-SOLBZPMBSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000673559388 487061372 /nfs/dbraw/zinc/06/13/72/487061372.db2.gz WOJWNPFBOLXAOZ-SOLBZPMBSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000673559388 487061374 /nfs/dbraw/zinc/06/13/74/487061374.db2.gz WOJWNPFBOLXAOZ-SOLBZPMBSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000673559388 487061379 /nfs/dbraw/zinc/06/13/79/487061379.db2.gz WOJWNPFBOLXAOZ-SOLBZPMBSA-N 2 1 348.491 1.525 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H](C[NH+](C)C)C1)n2C ZINC000673838810 487127741 /nfs/dbraw/zinc/12/77/41/487127741.db2.gz SFBSWPGCCSGZSD-GFCCVEGCSA-N 2 1 330.436 1.058 20 0 EDADMP CN1CC[N@@H+](C)C[C@@H]1CN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000677805545 487172084 /nfs/dbraw/zinc/17/20/84/487172084.db2.gz OGELSJVHRLAFAV-OALUTQOASA-N 2 1 330.520 1.875 20 0 EDADMP CN1CC[NH+](C)C[C@@H]1CN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805545 487172090 /nfs/dbraw/zinc/17/20/90/487172090.db2.gz OGELSJVHRLAFAV-OALUTQOASA-N 2 1 330.520 1.875 20 0 EDADMP CN1CC[NH+](C)C[C@@H]1CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805545 487172095 /nfs/dbraw/zinc/17/20/95/487172095.db2.gz OGELSJVHRLAFAV-OALUTQOASA-N 2 1 330.520 1.875 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677904175 487197011 /nfs/dbraw/zinc/19/70/11/487197011.db2.gz GPWCXNXXDRSSOU-FGTMMUONSA-N 2 1 345.487 1.784 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677904175 487197015 /nfs/dbraw/zinc/19/70/15/487197015.db2.gz GPWCXNXXDRSSOU-FGTMMUONSA-N 2 1 345.487 1.784 20 0 EDADMP OCC[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](CCO)C2)C1 ZINC000674232636 487219438 /nfs/dbraw/zinc/21/94/38/487219438.db2.gz HNELICSSWJCWHD-ROUUACIJSA-N 2 1 328.497 1.192 20 0 EDADMP COC1CC[NH+](CCNC(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000674329106 487237960 /nfs/dbraw/zinc/23/79/60/487237960.db2.gz QDRRESVURNSUGJ-UHFFFAOYSA-N 2 1 349.479 1.602 20 0 EDADMP C[C@H](CNC(=O)NCC[N@H+]1CCCOCC1)[NH+]1CCC[C@H](C)C1 ZINC000682113664 487305219 /nfs/dbraw/zinc/30/52/19/487305219.db2.gz FCZKCYSYPWAWGH-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000682113664 487305223 /nfs/dbraw/zinc/30/52/23/487305223.db2.gz FCZKCYSYPWAWGH-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000682113664 487305227 /nfs/dbraw/zinc/30/52/27/487305227.db2.gz FCZKCYSYPWAWGH-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000682556145 487388452 /nfs/dbraw/zinc/38/84/52/487388452.db2.gz DVWQGFKPDWKSPK-RYQLBKOJSA-N 2 1 331.460 1.713 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000679764073 487464069 /nfs/dbraw/zinc/46/40/69/487464069.db2.gz RHBPQSDBPNAYIO-MSOLQXFVSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000679764073 487464070 /nfs/dbraw/zinc/46/40/70/487464070.db2.gz RHBPQSDBPNAYIO-MSOLQXFVSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000679764073 487464071 /nfs/dbraw/zinc/46/40/71/487464071.db2.gz RHBPQSDBPNAYIO-MSOLQXFVSA-N 2 1 346.475 1.147 20 0 EDADMP CC[C@H](NC(=O)NC[C@@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669532981 485508073 /nfs/dbraw/zinc/50/80/73/485508073.db2.gz HUSVVBBEKLNJRV-HYVNUMGLSA-N 2 1 334.464 1.312 20 0 EDADMP CC[C@H](NC(=O)NC[C@@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669532981 485508078 /nfs/dbraw/zinc/50/80/78/485508078.db2.gz HUSVVBBEKLNJRV-HYVNUMGLSA-N 2 1 334.464 1.312 20 0 EDADMP Cc1ccc(CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)c(N2CCCC2)[nH+]1 ZINC000669555710 485557964 /nfs/dbraw/zinc/55/79/64/485557964.db2.gz BMCBOTFGOZMYDN-CABCVRRESA-N 2 1 331.464 1.869 20 0 EDADMP CN(C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC([NH3+])C1 ZINC000669570364 485587800 /nfs/dbraw/zinc/58/78/00/485587800.db2.gz XEPXBUZJIFZNHK-JCYILVPMSA-N 2 1 348.516 1.735 20 0 EDADMP CN(C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C1CC([NH3+])C1 ZINC000669570364 485587804 /nfs/dbraw/zinc/58/78/04/485587804.db2.gz XEPXBUZJIFZNHK-JCYILVPMSA-N 2 1 348.516 1.735 20 0 EDADMP CCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000669182744 485782706 /nfs/dbraw/zinc/78/27/06/485782706.db2.gz MBYSXYGUQVAJPO-MRXNPFEDSA-N 2 1 340.512 1.164 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1cnn(C)c1 ZINC000344486015 485949650 /nfs/dbraw/zinc/94/96/50/485949650.db2.gz CWZXWPGRAFKFNU-BPQIPLTHSA-N 2 1 347.507 1.494 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000668661159 486009578 /nfs/dbraw/zinc/00/95/78/486009578.db2.gz RLESNCHAFAJTBT-KBPBESRZSA-N 2 1 339.509 1.073 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000668665691 486016110 /nfs/dbraw/zinc/01/61/10/486016110.db2.gz LNQNSZGJRXDZCU-XIRDDKMYSA-N 2 1 332.448 1.019 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000669389704 486026136 /nfs/dbraw/zinc/02/61/36/486026136.db2.gz ZOTBSNBRWZDZKG-YCPHGPKFSA-N 2 1 348.516 1.888 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000669389704 486026141 /nfs/dbraw/zinc/02/61/41/486026141.db2.gz ZOTBSNBRWZDZKG-YCPHGPKFSA-N 2 1 348.516 1.888 20 0 EDADMP O[C@@H]1CC[N@H+](C2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)C1 ZINC000668738149 486107035 /nfs/dbraw/zinc/10/70/35/486107035.db2.gz AYPNJENIUJFGOT-GOSISDBHSA-N 2 1 327.432 1.298 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000669474359 486228180 /nfs/dbraw/zinc/22/81/80/486228180.db2.gz GRTXSEUSPJEKPT-ARFHVFGLSA-N 2 1 340.512 1.645 20 0 EDADMP CCNc1nc(N2CCC[C@H]([NH2+]C(C)C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000672200091 486511773 /nfs/dbraw/zinc/51/17/73/486511773.db2.gz BYWXMKHBHFCXOE-ZDUSSCGKSA-N 2 1 335.500 1.903 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COC[C@H]1CCCO1 ZINC000522192898 490995998 /nfs/dbraw/zinc/99/59/98/490995998.db2.gz ZAVUWCGDSUCTRR-DLBZAZTESA-N 2 1 341.496 1.057 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176056810 518193314 /nfs/dbraw/zinc/19/33/14/518193314.db2.gz BVJQBRSLSBANGC-DOTOQJQBSA-N 2 1 349.479 1.191 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188724075 525379531 /nfs/dbraw/zinc/37/95/31/525379531.db2.gz MGKJQAXNNPHHDI-OKILXGFUSA-N 2 1 333.480 1.543 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[NH+](CC4CCCC4)C3)[C@@H]2C1 ZINC000353332695 536461587 /nfs/dbraw/zinc/46/15/87/536461587.db2.gz WVNAIZQDCLAOQU-KZNAEPCWSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000353332695 536461589 /nfs/dbraw/zinc/46/15/89/536461589.db2.gz WVNAIZQDCLAOQU-KZNAEPCWSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000353332695 536461593 /nfs/dbraw/zinc/46/15/93/536461593.db2.gz WVNAIZQDCLAOQU-KZNAEPCWSA-N 2 1 334.508 1.987 20 0 EDADMP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000131821091 527742054 /nfs/dbraw/zinc/74/20/54/527742054.db2.gz SZQHCZLWHZMLMR-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000131821091 527742059 /nfs/dbraw/zinc/74/20/59/527742059.db2.gz SZQHCZLWHZMLMR-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000131821091 527742061 /nfs/dbraw/zinc/74/20/61/527742061.db2.gz SZQHCZLWHZMLMR-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000131821091 527742064 /nfs/dbraw/zinc/74/20/64/527742064.db2.gz SZQHCZLWHZMLMR-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174857901 528251522 /nfs/dbraw/zinc/25/15/22/528251522.db2.gz RXXFLPNVAOHBST-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCCC[NH+](C)C)c2C1 ZINC000171334845 528326668 /nfs/dbraw/zinc/32/66/68/528326668.db2.gz AQXWVUFPJWWJMY-UHFFFAOYSA-N 2 1 332.448 1.419 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCCC[NH+](C)C)c2C1 ZINC000171334845 528326674 /nfs/dbraw/zinc/32/66/74/528326674.db2.gz AQXWVUFPJWWJMY-UHFFFAOYSA-N 2 1 332.448 1.419 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000165056319 528337032 /nfs/dbraw/zinc/33/70/32/528337032.db2.gz KWUPQIYAJPLISG-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000159118490 528455179 /nfs/dbraw/zinc/45/51/79/528455179.db2.gz GPKMMYKSBIAIRZ-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000133481048 535312245 /nfs/dbraw/zinc/31/22/45/535312245.db2.gz YAHMZMGKOBJXKP-MOPGFXCFSA-N 2 1 347.503 1.980 20 0 EDADMP CC(C)C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000133481048 535312248 /nfs/dbraw/zinc/31/22/48/535312248.db2.gz YAHMZMGKOBJXKP-MOPGFXCFSA-N 2 1 347.503 1.980 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000078560399 535322326 /nfs/dbraw/zinc/32/23/26/535322326.db2.gz ALEPCXCUQFTWGK-IAGOWNOFSA-N 2 1 325.497 1.868 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000346184289 535568108 /nfs/dbraw/zinc/56/81/08/535568108.db2.gz GKMMTRPARRUWJI-OAHLLOKOSA-N 2 1 331.526 1.241 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000346184289 535568112 /nfs/dbraw/zinc/56/81/12/535568112.db2.gz GKMMTRPARRUWJI-OAHLLOKOSA-N 2 1 331.526 1.241 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H](CO)C3CCCCC3)cn2)CC1 ZINC000339505742 536426792 /nfs/dbraw/zinc/42/67/92/536426792.db2.gz BEANLXKLVXUGMT-SFHVURJKSA-N 2 1 347.507 1.507 20 0 EDADMP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262006897 536628380 /nfs/dbraw/zinc/62/83/80/536628380.db2.gz VDAAYLPTOYXKQC-OTWHNJEPSA-N 2 1 334.460 1.959 20 0 EDADMP COc1cc(C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)ccc1SC ZINC000262219694 536744696 /nfs/dbraw/zinc/74/46/96/536744696.db2.gz UKKXDKPQWNPXQJ-UHFFFAOYSA-N 2 1 337.489 1.671 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc(Cl)c1OC ZINC000262091011 536768559 /nfs/dbraw/zinc/76/85/59/536768559.db2.gz HAFPFHCGKZPAKG-AWEZNQCLSA-N 2 1 339.867 1.837 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc(Cl)c1OC ZINC000262091011 536768566 /nfs/dbraw/zinc/76/85/66/536768566.db2.gz HAFPFHCGKZPAKG-AWEZNQCLSA-N 2 1 339.867 1.837 20 0 EDADMP C[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[N@@H+](C)C1CC1 ZINC000734275111 578804360 /nfs/dbraw/zinc/80/43/60/578804360.db2.gz OVUPBJZLMJPZSX-PBHICJAKSA-N 2 1 338.496 1.412 20 0 EDADMP C[NH+](C)CCOC1CC[NH+](CN2C(=O)C[C@@H]2c2ccccc2)CC1 ZINC000738208926 579172488 /nfs/dbraw/zinc/17/24/88/579172488.db2.gz LUIRZSQOZZULMU-GOSISDBHSA-N 2 1 331.460 1.960 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000746674248 579606343 /nfs/dbraw/zinc/60/63/43/579606343.db2.gz HINWOUYLKGCISQ-KRWDZBQOSA-N 2 1 334.464 1.131 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)NCc2ccccn2)C1 ZINC000746674248 579606344 /nfs/dbraw/zinc/60/63/44/579606344.db2.gz HINWOUYLKGCISQ-KRWDZBQOSA-N 2 1 334.464 1.131 20 0 EDADMP C[C@@H](CNC(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000747554068 579648723 /nfs/dbraw/zinc/64/87/23/579648723.db2.gz CTFGGDWVUDRWHH-GJZGRUSLSA-N 2 1 336.484 1.687 20 0 EDADMP CC[C@@H]1CC(=O)N(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000758251868 579978553 /nfs/dbraw/zinc/97/85/53/579978553.db2.gz FCBWFRBWWVUZHH-QGZVFWFLSA-N 2 1 336.524 1.552 20 0 EDADMP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000771147839 580280891 /nfs/dbraw/zinc/28/08/91/580280891.db2.gz SMGIEQCELHNOKA-HSZRJFAPSA-N 2 1 333.457 1.744 20 0 EDADMP CCc1ccc(NC(=O)CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)cc1 ZINC000779646625 580492551 /nfs/dbraw/zinc/49/25/51/580492551.db2.gz SJBLENMZNSLXAI-INIZCTEOSA-N 2 1 348.447 1.795 20 0 EDADMP CCc1ccc(NC(=O)CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000779646625 580492552 /nfs/dbraw/zinc/49/25/52/580492552.db2.gz SJBLENMZNSLXAI-INIZCTEOSA-N 2 1 348.447 1.795 20 0 EDADMP CC(=O)c1ccccc1OCCONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779649734 580492880 /nfs/dbraw/zinc/49/28/80/580492880.db2.gz KTKIUNGGEVKYKM-KRWDZBQOSA-N 2 1 349.431 1.876 20 0 EDADMP CC(=O)c1ccccc1OCCONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779649734 580492881 /nfs/dbraw/zinc/49/28/81/580492881.db2.gz KTKIUNGGEVKYKM-KRWDZBQOSA-N 2 1 349.431 1.876 20 0 EDADMP COc1ccc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)cc1F ZINC000779652164 580493036 /nfs/dbraw/zinc/49/30/36/580493036.db2.gz GBTPGOZQQPHLKK-HNNXBMFYSA-N 2 1 325.384 1.942 20 0 EDADMP COc1ccc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)cc1F ZINC000779652164 580493037 /nfs/dbraw/zinc/49/30/37/580493037.db2.gz GBTPGOZQQPHLKK-HNNXBMFYSA-N 2 1 325.384 1.942 20 0 EDADMP Cc1ccccc1NC(=O)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779654714 580493468 /nfs/dbraw/zinc/49/34/68/580493468.db2.gz QOXICYLOGVDYAE-HNNXBMFYSA-N 2 1 334.420 1.541 20 0 EDADMP Cc1ccccc1NC(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779654714 580493469 /nfs/dbraw/zinc/49/34/69/580493469.db2.gz QOXICYLOGVDYAE-HNNXBMFYSA-N 2 1 334.420 1.541 20 0 EDADMP CC[NH+](CC)CC1CC[NH+](CN2C[C@@H](c3cncn3C)CC2=O)CC1 ZINC000783985978 580610288 /nfs/dbraw/zinc/61/02/88/580610288.db2.gz YUBUYUSCCJQEMO-KRWDZBQOSA-N 2 1 347.507 1.747 20 0 EDADMP Cn1nc(Br)cc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000785463511 580645111 /nfs/dbraw/zinc/64/51/11/580645111.db2.gz NPMLHCZZNANPNM-LBPRGKRZSA-N 2 1 345.285 1.509 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786812368 580679891 /nfs/dbraw/zinc/67/98/91/580679891.db2.gz VLTBCLAXESSWOU-HNNXBMFYSA-N 2 1 346.475 1.978 20 0 EDADMP Cc1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc(Cl)n1 ZINC000797590179 580978052 /nfs/dbraw/zinc/97/80/52/580978052.db2.gz MZJMLHSZXPYXSO-UHFFFAOYSA-N 2 1 338.883 1.933 20 0 EDADMP C[NH+]1CCN(CC(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000799014851 581013990 /nfs/dbraw/zinc/01/39/90/581013990.db2.gz KFXAABFPWBNCEN-FQEVSTJZSA-N 2 1 344.503 1.262 20 0 EDADMP C[NH+]1CCN(CC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000799014851 581013991 /nfs/dbraw/zinc/01/39/91/581013991.db2.gz KFXAABFPWBNCEN-FQEVSTJZSA-N 2 1 344.503 1.262 20 0 EDADMP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893239747 590728501 /nfs/dbraw/zinc/72/85/01/590728501.db2.gz VOYUSYMVNLQRAC-HZTRTUMWSA-N 2 1 326.444 2.000 20 0 EDADMP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893239747 590728503 /nfs/dbraw/zinc/72/85/03/590728503.db2.gz VOYUSYMVNLQRAC-HZTRTUMWSA-N 2 1 326.444 2.000 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000892006112 590739237 /nfs/dbraw/zinc/73/92/37/590739237.db2.gz WOTVRRYDXZPNMX-NXHRZFHOSA-N 2 1 330.476 1.806 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)N[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000892019329 590749787 /nfs/dbraw/zinc/74/97/87/590749787.db2.gz KZLDGVNVOHMMBR-OTWHNJEPSA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000892019329 590749789 /nfs/dbraw/zinc/74/97/89/590749789.db2.gz KZLDGVNVOHMMBR-OTWHNJEPSA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000892019329 590749792 /nfs/dbraw/zinc/74/97/92/590749792.db2.gz KZLDGVNVOHMMBR-OTWHNJEPSA-N 2 1 342.487 1.854 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000892130770 590815369 /nfs/dbraw/zinc/81/53/69/590815369.db2.gz SBTBDFRRACZPME-MRXNPFEDSA-N 2 1 345.491 1.687 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000890878518 590828268 /nfs/dbraw/zinc/82/82/68/590828268.db2.gz CCASGNIXPNGPHP-SJORKVTESA-N 2 1 349.523 1.502 20 0 EDADMP C[NH+]1CCN(C2CCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)CC1 ZINC000892209818 590866691 /nfs/dbraw/zinc/86/66/91/590866691.db2.gz HVGAIXPVYDPBRX-UHFFFAOYSA-N 2 1 345.491 1.067 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2C)Cc1ccccc1 ZINC000892263286 590895962 /nfs/dbraw/zinc/89/59/62/590895962.db2.gz TXEOWFMMTQDJQG-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)Cc1ccccc1 ZINC000892263286 590895965 /nfs/dbraw/zinc/89/59/65/590895965.db2.gz TXEOWFMMTQDJQG-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)Cc1ccccc1 ZINC000892263286 590895971 /nfs/dbraw/zinc/89/59/71/590895971.db2.gz TXEOWFMMTQDJQG-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000909396563 590941512 /nfs/dbraw/zinc/94/15/12/590941512.db2.gz HQWIVFHLCMEQSJ-KRWDZBQOSA-N 2 1 338.540 1.641 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)C1 ZINC000909396563 590941516 /nfs/dbraw/zinc/94/15/16/590941516.db2.gz HQWIVFHLCMEQSJ-KRWDZBQOSA-N 2 1 338.540 1.641 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)C1 ZINC000909396563 590941520 /nfs/dbraw/zinc/94/15/20/590941520.db2.gz HQWIVFHLCMEQSJ-KRWDZBQOSA-N 2 1 338.540 1.641 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC[N@H+]1CC(C)(C)O ZINC000892387554 591005426 /nfs/dbraw/zinc/00/54/26/591005426.db2.gz RHDIPPNCBCDTEJ-HUUCEWRRSA-N 2 1 340.512 1.251 20 0 EDADMP C[C@@]12CN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000892567047 591075342 /nfs/dbraw/zinc/07/53/42/591075342.db2.gz XSOMMMVIRYQXEY-CGBFIWBNSA-N 2 1 342.487 1.887 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000891476497 591084830 /nfs/dbraw/zinc/08/48/30/591084830.db2.gz RIFLYUQFLBYQTD-YQVWRLOYSA-N 2 1 330.476 1.882 20 0 EDADMP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000891508530 591098213 /nfs/dbraw/zinc/09/82/13/591098213.db2.gz NNVAQMYRCZKFIG-BZSNNMDCSA-N 2 1 330.476 1.588 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000891544533 591117863 /nfs/dbraw/zinc/11/78/63/591117863.db2.gz WVJRSVNHHCZSML-AEFFLSMTSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000891544533 591117865 /nfs/dbraw/zinc/11/78/65/591117865.db2.gz WVJRSVNHHCZSML-AEFFLSMTSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000891544533 591117868 /nfs/dbraw/zinc/11/78/68/591117868.db2.gz WVJRSVNHHCZSML-AEFFLSMTSA-N 2 1 330.476 1.902 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891544222 591117993 /nfs/dbraw/zinc/11/79/93/591117993.db2.gz AGTOWQGXLOQFFM-OAHLLOKOSA-N 2 1 326.485 1.176 20 0 EDADMP C[C@H]1CCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000891698578 591189530 /nfs/dbraw/zinc/18/95/30/591189530.db2.gz HIAONCMUFVVOAH-HRCADAONSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000891698578 591189534 /nfs/dbraw/zinc/18/95/34/591189534.db2.gz HIAONCMUFVVOAH-HRCADAONSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000891698578 591189536 /nfs/dbraw/zinc/18/95/36/591189536.db2.gz HIAONCMUFVVOAH-HRCADAONSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000891698578 591189540 /nfs/dbraw/zinc/18/95/40/591189540.db2.gz HIAONCMUFVVOAH-HRCADAONSA-N 2 1 340.512 1.658 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1(F)F ZINC000894094251 591191467 /nfs/dbraw/zinc/19/14/67/591191467.db2.gz KLHDRMVYDUAXLG-BEAPCOKYSA-N 2 1 328.403 1.989 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1(F)F ZINC000894094251 591191470 /nfs/dbraw/zinc/19/14/70/591191470.db2.gz KLHDRMVYDUAXLG-BEAPCOKYSA-N 2 1 328.403 1.989 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1(F)F ZINC000894094251 591191473 /nfs/dbraw/zinc/19/14/73/591191473.db2.gz KLHDRMVYDUAXLG-BEAPCOKYSA-N 2 1 328.403 1.989 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1(F)F ZINC000894094251 591191476 /nfs/dbraw/zinc/19/14/76/591191476.db2.gz KLHDRMVYDUAXLG-BEAPCOKYSA-N 2 1 328.403 1.989 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H]1c1ccc(Cl)cc1 ZINC000891731211 591201871 /nfs/dbraw/zinc/20/18/71/591201871.db2.gz VSGJSKROKVOVMF-JONQDZQNSA-N 2 1 334.851 1.841 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H]1c1ccc(Cl)cc1 ZINC000891731211 591201873 /nfs/dbraw/zinc/20/18/73/591201873.db2.gz VSGJSKROKVOVMF-JONQDZQNSA-N 2 1 334.851 1.841 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000894234167 591240111 /nfs/dbraw/zinc/24/01/11/591240111.db2.gz UAMGQDCOJZUEGE-BVBHFADKSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000894234167 591240112 /nfs/dbraw/zinc/24/01/12/591240112.db2.gz UAMGQDCOJZUEGE-BVBHFADKSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000894234167 591240114 /nfs/dbraw/zinc/24/01/14/591240114.db2.gz UAMGQDCOJZUEGE-BVBHFADKSA-N 2 1 342.487 1.852 20 0 EDADMP C[NH+]1CC[C@H]1CNc1ncnc2sc(NC[C@H]3CC[N@@H+]3C)nc21 ZINC000895769244 591268867 /nfs/dbraw/zinc/26/88/67/591268867.db2.gz PCLPTWYPQZNBNY-WDEREUQCSA-N 2 1 333.465 1.318 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1nc2c(ncnc2NC[C@@H]2CC[N@@H+]2C)s1 ZINC000895769244 591268869 /nfs/dbraw/zinc/26/88/69/591268869.db2.gz PCLPTWYPQZNBNY-WDEREUQCSA-N 2 1 333.465 1.318 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1nc2c(ncnc2NC[C@@H]2CC[N@H+]2C)s1 ZINC000895769244 591268871 /nfs/dbraw/zinc/26/88/71/591268871.db2.gz PCLPTWYPQZNBNY-WDEREUQCSA-N 2 1 333.465 1.318 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000895900328 591299926 /nfs/dbraw/zinc/29/99/26/591299926.db2.gz FGFOGHHIQJODRZ-ZWKOTPCHSA-N 2 1 334.508 1.987 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000895991648 591316105 /nfs/dbraw/zinc/31/61/05/591316105.db2.gz XZLCWDDDTZZEKG-QGZVFWFLSA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000909410472 591444577 /nfs/dbraw/zinc/44/45/77/591444577.db2.gz GIUSPFYBEVVDCQ-MRXNPFEDSA-N 2 1 327.432 1.231 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)o1 ZINC000896570446 591531118 /nfs/dbraw/zinc/53/11/18/591531118.db2.gz YNMURTKFWWKCMR-ZBFHGGJFSA-N 2 1 336.480 1.486 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CCO1 ZINC000897558533 591554261 /nfs/dbraw/zinc/55/42/61/591554261.db2.gz JEPIGCDCSWJIMI-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000897865030 591698555 /nfs/dbraw/zinc/69/85/55/591698555.db2.gz VINHAXNPRKYCSE-QZTJIDSGSA-N 2 1 345.487 1.395 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](CCO)C3CCCC3)cn2)CC1 ZINC000897885659 591705482 /nfs/dbraw/zinc/70/54/82/591705482.db2.gz ONZIYWFXCKYZHR-KRWDZBQOSA-N 2 1 333.480 1.259 20 0 EDADMP C[NH+]1CCC(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CC1 ZINC000895322132 591712684 /nfs/dbraw/zinc/71/26/84/591712684.db2.gz ZPBIHSXDCWIWPS-UXHICEINSA-N 2 1 329.488 1.913 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897171624 591758378 /nfs/dbraw/zinc/75/83/78/591758378.db2.gz GIHCOKSEDIGTCP-HNNXBMFYSA-N 2 1 325.497 1.676 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897171624 591758382 /nfs/dbraw/zinc/75/83/82/591758382.db2.gz GIHCOKSEDIGTCP-HNNXBMFYSA-N 2 1 325.497 1.676 20 0 EDADMP CC1(C)CC[N@@H+](CCNc2cc(N3CCCC[C@@H]3CO)ncn2)C1 ZINC000897249473 591786673 /nfs/dbraw/zinc/78/66/73/591786673.db2.gz VWLJHGCPVDJEFV-OAHLLOKOSA-N 2 1 333.480 1.972 20 0 EDADMP CC[N@@H+](CCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1)C1CCCCC1 ZINC000898273275 591849101 /nfs/dbraw/zinc/84/91/01/591849101.db2.gz VEZMIVICLAZADK-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000898290251 591854851 /nfs/dbraw/zinc/85/48/51/591854851.db2.gz SUQPAPLQDNVTLW-IYBDPMFKSA-N 2 1 333.476 1.816 20 0 EDADMP O=C(CC[NH+]1CCOCC1)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000898298131 591862996 /nfs/dbraw/zinc/86/29/96/591862996.db2.gz FBUMYENYLBMTNT-UHFFFAOYSA-N 2 1 326.400 1.908 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)CC1 ZINC000902137951 591920104 /nfs/dbraw/zinc/92/01/04/591920104.db2.gz HEEDASWGVAOZKW-DRMAHVMPSA-N 2 1 331.460 1.415 20 0 EDADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[NH+](C)CCO ZINC000899741721 591927812 /nfs/dbraw/zinc/92/78/12/591927812.db2.gz VMXOWMYKQOKIQN-RTBURBONSA-N 2 1 347.503 1.575 20 0 EDADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCC[N@H+](C)CCO ZINC000899741721 591927815 /nfs/dbraw/zinc/92/78/15/591927815.db2.gz VMXOWMYKQOKIQN-RTBURBONSA-N 2 1 347.503 1.575 20 0 EDADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCC[N@@H+](C)CCO ZINC000899741721 591927817 /nfs/dbraw/zinc/92/78/17/591927817.db2.gz VMXOWMYKQOKIQN-RTBURBONSA-N 2 1 347.503 1.575 20 0 EDADMP C[NH+](C)CCOC1CC[NH+](CN2C[C@H]([C@H]3CCCO3)CC2=O)CC1 ZINC000902145302 591928105 /nfs/dbraw/zinc/92/81/05/591928105.db2.gz BWMIXUUOVAAHDZ-NVXWUHKLSA-N 2 1 339.480 1.014 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900229969 591957270 /nfs/dbraw/zinc/95/72/70/591957270.db2.gz WHHSEXLZVHADGP-HXUWFJFHSA-N 2 1 347.503 1.990 20 0 EDADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900229969 591957272 /nfs/dbraw/zinc/95/72/72/591957272.db2.gz WHHSEXLZVHADGP-HXUWFJFHSA-N 2 1 347.503 1.990 20 0 EDADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900229969 591957275 /nfs/dbraw/zinc/95/72/75/591957275.db2.gz WHHSEXLZVHADGP-HXUWFJFHSA-N 2 1 347.503 1.990 20 0 EDADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900331390 591991998 /nfs/dbraw/zinc/99/19/98/591991998.db2.gz HNCMYAZRJLOJOF-IBGZPJMESA-N 2 1 339.524 1.804 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000900344536 591996814 /nfs/dbraw/zinc/99/68/14/591996814.db2.gz LSOVEWQNLULLMY-ROUUACIJSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000900344536 591996815 /nfs/dbraw/zinc/99/68/15/591996815.db2.gz LSOVEWQNLULLMY-ROUUACIJSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000900344536 591996816 /nfs/dbraw/zinc/99/68/16/591996816.db2.gz LSOVEWQNLULLMY-ROUUACIJSA-N 2 1 338.540 1.639 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000900405071 592009619 /nfs/dbraw/zinc/00/96/19/592009619.db2.gz QRHLGWRQZSYAJP-NLWGTHIKSA-N 2 1 345.487 1.612 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000900405071 592009621 /nfs/dbraw/zinc/00/96/21/592009621.db2.gz QRHLGWRQZSYAJP-NLWGTHIKSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000900405071 592009623 /nfs/dbraw/zinc/00/96/23/592009623.db2.gz QRHLGWRQZSYAJP-NLWGTHIKSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000900405071 592009626 /nfs/dbraw/zinc/00/96/26/592009626.db2.gz QRHLGWRQZSYAJP-NLWGTHIKSA-N 2 1 345.487 1.612 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000900563582 592053512 /nfs/dbraw/zinc/05/35/12/592053512.db2.gz YJZONEQDHIDQEV-YQVWRLOYSA-N 2 1 337.508 1.556 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@H+](C)Cc3ccccc32)CC1 ZINC000900571953 592055864 /nfs/dbraw/zinc/05/58/64/592055864.db2.gz KBTLRAJJZBEJLW-UHFFFAOYSA-N 2 1 344.503 1.881 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@@H+](C)Cc3ccccc32)CC1 ZINC000900571953 592055866 /nfs/dbraw/zinc/05/58/66/592055866.db2.gz KBTLRAJJZBEJLW-UHFFFAOYSA-N 2 1 344.503 1.881 20 0 EDADMP CCO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000902805554 592063129 /nfs/dbraw/zinc/06/31/29/592063129.db2.gz BKRIWZYIUZIDOU-FGTMMUONSA-N 2 1 325.497 1.330 20 0 EDADMP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900694439 592088306 /nfs/dbraw/zinc/08/83/06/592088306.db2.gz HZYWFYRMQKAFRB-ZWKOTPCHSA-N 2 1 336.524 1.393 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900694439 592088308 /nfs/dbraw/zinc/08/83/08/592088308.db2.gz HZYWFYRMQKAFRB-ZWKOTPCHSA-N 2 1 336.524 1.393 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900694439 592088310 /nfs/dbraw/zinc/08/83/10/592088310.db2.gz HZYWFYRMQKAFRB-ZWKOTPCHSA-N 2 1 336.524 1.393 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900682776 592092944 /nfs/dbraw/zinc/09/29/44/592092944.db2.gz HUCPHQODPPHBCT-QZTJIDSGSA-N 3 1 338.540 1.735 20 0 EDADMP O=S1(=O)CCCN1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903116701 592123440 /nfs/dbraw/zinc/12/34/40/592123440.db2.gz NAWKCLAUICIALE-VHRNVKJDSA-N 2 1 327.494 1.159 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903421702 592170487 /nfs/dbraw/zinc/17/04/87/592170487.db2.gz RXHTZDYTINNTAZ-PBHICJAKSA-N 2 1 345.443 1.501 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903421702 592170489 /nfs/dbraw/zinc/17/04/89/592170489.db2.gz RXHTZDYTINNTAZ-PBHICJAKSA-N 2 1 345.443 1.501 20 0 EDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903461066 592171637 /nfs/dbraw/zinc/17/16/37/592171637.db2.gz OGWAUYQDZOONFK-UONOGXRCSA-N 2 1 331.416 1.111 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCOc1ccccc1C(C)=O)C2 ZINC000903493485 592186102 /nfs/dbraw/zinc/18/61/02/592186102.db2.gz YPRJXLXYPVDBFL-KHYOSLBOSA-N 2 1 346.427 1.480 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCCOc1ccccc1C)C2 ZINC000903493695 592186202 /nfs/dbraw/zinc/18/62/02/592186202.db2.gz ZXWPSRAAXIWZEU-FCEWJHQRSA-N 2 1 332.444 1.976 20 0 EDADMP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496454 592187531 /nfs/dbraw/zinc/18/75/31/592187531.db2.gz OJLTUIMDQZZAMG-IJEWVQPXSA-N 2 1 332.448 1.318 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C[C@H]1CC[NH3+] ZINC000903496382 592187686 /nfs/dbraw/zinc/18/76/86/592187686.db2.gz LXKWVKXYQHGEQF-UKRRQHHQSA-N 2 1 332.448 1.244 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496094 592187783 /nfs/dbraw/zinc/18/77/83/592187783.db2.gz FGODCPMOOQNCDZ-ANQUJSFKSA-N 2 1 331.460 1.932 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000900998268 592201241 /nfs/dbraw/zinc/20/12/41/592201241.db2.gz YJUMGRKNIHEOMK-IRXDYDNUSA-N 2 1 336.524 1.534 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000900998268 592201243 /nfs/dbraw/zinc/20/12/43/592201243.db2.gz YJUMGRKNIHEOMK-IRXDYDNUSA-N 2 1 336.524 1.534 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000900998268 592201244 /nfs/dbraw/zinc/20/12/44/592201244.db2.gz YJUMGRKNIHEOMK-IRXDYDNUSA-N 2 1 336.524 1.534 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000901026524 592203809 /nfs/dbraw/zinc/20/38/09/592203809.db2.gz MJZAVUZXZLMNML-MMIPBJDJSA-N 2 1 335.492 1.476 20 0 EDADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000901119445 592239174 /nfs/dbraw/zinc/23/91/74/592239174.db2.gz QQOSBSLOUWFSPU-RDGPPVDQSA-N 2 1 349.519 1.887 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906663041 592244829 /nfs/dbraw/zinc/24/48/29/592244829.db2.gz CCUAGWXZSVOFQA-GOEBONIOSA-N 2 1 330.432 1.027 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906662477 592245180 /nfs/dbraw/zinc/24/51/80/592245180.db2.gz WVNAJHWSOZUFFK-AWEZNQCLSA-N 2 1 346.475 1.619 20 0 EDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000904405000 592250759 /nfs/dbraw/zinc/25/07/59/592250759.db2.gz GLQBKKUGQKZRPR-MRXNPFEDSA-N 2 1 331.460 1.859 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)CC(C)C ZINC000906673576 592254985 /nfs/dbraw/zinc/25/49/85/592254985.db2.gz LZHNSINYEWTBCE-QGZVFWFLSA-N 2 1 326.529 1.353 20 0 EDADMP [NH3+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000906678976 592260235 /nfs/dbraw/zinc/26/02/35/592260235.db2.gz RDMOTKZYWFIIKG-HNNXBMFYSA-N 2 1 344.459 1.322 20 0 EDADMP [NH3+]CCOc1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000904512370 592274997 /nfs/dbraw/zinc/27/49/97/592274997.db2.gz ZRXYEQOPJWKYKI-IRXDYDNUSA-N 2 1 348.447 1.087 20 0 EDADMP NC(=O)CC[N@H+](Cc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717694 592280678 /nfs/dbraw/zinc/28/06/78/592280678.db2.gz DGHFRWKAUKPKSK-KRWDZBQOSA-N 2 1 331.460 1.523 20 0 EDADMP CC[N@@H+](CC(=O)Nc1cccc(OC)c1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718623 592280957 /nfs/dbraw/zinc/28/09/57/592280957.db2.gz PRXSTEDHIIHXNM-HKUYNNGSSA-N 2 1 347.459 1.724 20 0 EDADMP CC[N@H+](CC(=O)Nc1cccc(OC)c1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718623 592280962 /nfs/dbraw/zinc/28/09/62/592280962.db2.gz PRXSTEDHIIHXNM-HKUYNNGSSA-N 2 1 347.459 1.724 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCOC1CCSCC1 ZINC000903745864 592293659 /nfs/dbraw/zinc/29/36/59/592293659.db2.gz AQEOLPDJQLTTSR-AWEZNQCLSA-N 2 1 329.510 1.218 20 0 EDADMP CC(C)COC(=O)N1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903751125 592295118 /nfs/dbraw/zinc/29/51/18/592295118.db2.gz ARDQBIRIXUIWKX-WBVHZDCISA-N 2 1 325.453 1.165 20 0 EDADMP C[N@@H+](CC(=O)NCCC1=CCCCC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903788388 592323338 /nfs/dbraw/zinc/32/33/38/592323338.db2.gz JREYOFVEHYKIJQ-MJGOQNOKSA-N 2 1 335.492 1.694 20 0 EDADMP C[N@H+](CC(=O)NCCC1=CCCCC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903788388 592323342 /nfs/dbraw/zinc/32/33/42/592323342.db2.gz JREYOFVEHYKIJQ-MJGOQNOKSA-N 2 1 335.492 1.694 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)CC1 ZINC000903816228 592324337 /nfs/dbraw/zinc/32/43/37/592324337.db2.gz WQJRFFMOCIXARP-QGZVFWFLSA-N 3 1 336.524 1.570 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)CC1 ZINC000903816228 592324343 /nfs/dbraw/zinc/32/43/43/592324343.db2.gz WQJRFFMOCIXARP-QGZVFWFLSA-N 3 1 336.524 1.570 20 0 EDADMP O[C@H](COc1ccccc1F)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819146 592332320 /nfs/dbraw/zinc/33/23/20/592332320.db2.gz CZGIFQJVOWGRKO-HNNXBMFYSA-N 2 1 338.423 1.410 20 0 EDADMP O[C@H](COc1ccccc1F)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819146 592332326 /nfs/dbraw/zinc/33/23/26/592332326.db2.gz CZGIFQJVOWGRKO-HNNXBMFYSA-N 2 1 338.423 1.410 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCCCOc1ccccc1F)C2 ZINC000903844975 592343972 /nfs/dbraw/zinc/34/39/72/592343972.db2.gz DCBCRHKSGKPLMU-ZNMIVQPWSA-N 2 1 335.423 1.522 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCCCOc1ccccc1F)C2 ZINC000903844975 592343977 /nfs/dbraw/zinc/34/39/77/592343977.db2.gz DCBCRHKSGKPLMU-ZNMIVQPWSA-N 2 1 335.423 1.522 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCN(c3ccccc3O)CC2)cnn1C ZINC000903872012 592354544 /nfs/dbraw/zinc/35/45/44/592354544.db2.gz ALFSCCZKPDATLU-INIZCTEOSA-N 2 1 343.475 1.374 20 0 EDADMP C[C@@H](O)C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903886443 592363627 /nfs/dbraw/zinc/36/36/27/592363627.db2.gz SOPSARFQAROPSL-WBVHZDCISA-N 2 1 329.448 1.586 20 0 EDADMP C[C@@H](O)C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903886443 592363631 /nfs/dbraw/zinc/36/36/31/592363631.db2.gz SOPSARFQAROPSL-WBVHZDCISA-N 2 1 329.448 1.586 20 0 EDADMP Cn1ccnc1C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC12CC[NH2+]CC2 ZINC000903905915 592372530 /nfs/dbraw/zinc/37/25/30/592372530.db2.gz PUZOATYUSAJBML-FBVQUNGASA-N 3 1 343.519 1.895 20 0 EDADMP Cn1ccnc1CN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC12CC[NH2+]CC2 ZINC000903905915 592372538 /nfs/dbraw/zinc/37/25/38/592372538.db2.gz PUZOATYUSAJBML-FBVQUNGASA-N 2 1 343.519 1.895 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(N(C)C(C)C)nc1)C2 ZINC000903977682 592399530 /nfs/dbraw/zinc/39/95/30/592399530.db2.gz VUHZPJZBVMFPJR-FCEWJHQRSA-N 2 1 346.475 1.639 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C/C=C/c1ccccc1OC)C2 ZINC000903978743 592400502 /nfs/dbraw/zinc/40/05/02/592400502.db2.gz LOJNDRZRNXWVNZ-KNVHLJKESA-N 2 1 330.428 1.921 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000908240354 592401152 /nfs/dbraw/zinc/40/11/52/592401152.db2.gz UUXXTSLUHMXSIY-UHFFFAOYSA-N 2 1 345.491 1.904 20 0 EDADMP CN(CCCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1)CC[NH+](C)C ZINC000908240354 592401154 /nfs/dbraw/zinc/40/11/54/592401154.db2.gz UUXXTSLUHMXSIY-UHFFFAOYSA-N 2 1 345.491 1.904 20 0 EDADMP COCC[N@H+](Cc1ccc(C)cc1C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903964154 592402547 /nfs/dbraw/zinc/40/25/47/592402547.db2.gz RFXIIJUKMURBDC-SFHVURJKSA-N 2 1 347.503 1.949 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)c2cc3ccccc3o2)CC1 ZINC000905112912 592412708 /nfs/dbraw/zinc/41/27/08/592412708.db2.gz YGOUTDMRYBLJLJ-HNNXBMFYSA-N 2 1 331.416 1.220 20 0 EDADMP C[N@H+]1CC[C@H](Cc2nc(-c3ccc(N4CC[NH+](C)CC4)cn3)no2)C1 ZINC000904105085 592426918 /nfs/dbraw/zinc/42/69/18/592426918.db2.gz HNQMSHHMGJZWTF-CQSZACIVSA-N 2 1 342.447 1.378 20 0 EDADMP C[C@H](CC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)[N@@H+](C)Cc1ccccc1 ZINC000905147770 592438231 /nfs/dbraw/zinc/43/82/31/592438231.db2.gz RRBCXPSUNSLNAT-NEWSRXKRSA-N 2 1 336.476 1.389 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000905151405 592440457 /nfs/dbraw/zinc/44/04/57/592440457.db2.gz AODBBLBPGGLEJL-QRQLOZEOSA-N 2 1 348.487 1.532 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000905151405 592440460 /nfs/dbraw/zinc/44/04/60/592440460.db2.gz AODBBLBPGGLEJL-QRQLOZEOSA-N 2 1 348.487 1.532 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905341404 592511798 /nfs/dbraw/zinc/51/17/98/592511798.db2.gz ZVCHRVPNKJBCSQ-INIZCTEOSA-N 2 1 331.526 1.560 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)n1 ZINC000908571789 592544033 /nfs/dbraw/zinc/54/40/33/592544033.db2.gz MBLLYHNTPUAKSS-UHFFFAOYSA-N 2 1 333.480 1.535 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c1ccccc1F)C2 ZINC000905503039 592546386 /nfs/dbraw/zinc/54/63/86/592546386.db2.gz MUEXGYNFVXPWHT-IEWDOMPSSA-N 2 1 336.451 1.928 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000905678649 592609642 /nfs/dbraw/zinc/60/96/42/592609642.db2.gz GPKNNXKETGLTMF-IAGOWNOFSA-N 2 1 325.497 1.581 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000905678649 592609645 /nfs/dbraw/zinc/60/96/45/592609645.db2.gz GPKNNXKETGLTMF-IAGOWNOFSA-N 2 1 325.497 1.581 20 0 EDADMP CCCOc1nccnc1N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000905702138 592615471 /nfs/dbraw/zinc/61/54/71/592615471.db2.gz VJJGKGREYDLMGD-IYBDPMFKSA-N 2 1 331.464 1.670 20 0 EDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000905709894 592619596 /nfs/dbraw/zinc/61/95/96/592619596.db2.gz PYQDCVVRIPCYNG-SQNIBIBYSA-N 2 1 334.460 1.801 20 0 EDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000905709894 592619598 /nfs/dbraw/zinc/61/95/98/592619598.db2.gz PYQDCVVRIPCYNG-SQNIBIBYSA-N 2 1 334.460 1.801 20 0 EDADMP NC(=O)NC(=O)CC[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905709889 592619619 /nfs/dbraw/zinc/61/96/19/592619619.db2.gz PULBRTBCFJLNKX-IKGGRYGDSA-N 2 1 344.459 1.462 20 0 EDADMP Cc1cccc([C@H](O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000905826986 592657915 /nfs/dbraw/zinc/65/79/15/592657915.db2.gz GDXHJKSPTBODJQ-GOSISDBHSA-N 2 1 329.448 1.286 20 0 EDADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000909918743 592713593 /nfs/dbraw/zinc/71/35/93/592713593.db2.gz RDUVHRBZNDBSIQ-QGZVFWFLSA-N 2 1 339.505 1.485 20 0 EDADMP C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000907727647 592772673 /nfs/dbraw/zinc/77/26/73/592772673.db2.gz OUQAMMJQNRTHEF-UHFFFAOYSA-N 2 1 336.436 1.217 20 0 EDADMP C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000907727647 592772674 /nfs/dbraw/zinc/77/26/74/592772674.db2.gz OUQAMMJQNRTHEF-UHFFFAOYSA-N 2 1 336.436 1.217 20 0 EDADMP Cc1cnccc1OC1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000907798311 592799233 /nfs/dbraw/zinc/79/92/33/592799233.db2.gz YGEGWBNUKIGIQC-UHFFFAOYSA-N 2 1 346.475 1.253 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906382804 592814210 /nfs/dbraw/zinc/81/42/10/592814210.db2.gz UFSRTBCUPBWZID-QFBILLFUSA-N 2 1 344.503 1.432 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906382804 592814212 /nfs/dbraw/zinc/81/42/12/592814212.db2.gz UFSRTBCUPBWZID-QFBILLFUSA-N 2 1 344.503 1.432 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906382804 592814214 /nfs/dbraw/zinc/81/42/14/592814214.db2.gz UFSRTBCUPBWZID-QFBILLFUSA-N 2 1 344.503 1.432 20 0 EDADMP O=C(NC1CC([NH+]2CCOCC2)C1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000911562130 592946737 /nfs/dbraw/zinc/94/67/37/592946737.db2.gz YWEUHANCHMMKCG-UHFFFAOYSA-N 2 1 342.443 1.884 20 0 EDADMP CC(C)(C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)[NH+]1CCCCC1 ZINC000911843629 593022293 /nfs/dbraw/zinc/02/22/93/593022293.db2.gz OEHHEPVAYUXYEA-JKSUJKDBSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000912049738 593056885 /nfs/dbraw/zinc/05/68/85/593056885.db2.gz WLBONNIXSNNXNE-NXOAAHMSSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000912049738 593056886 /nfs/dbraw/zinc/05/68/86/593056886.db2.gz WLBONNIXSNNXNE-NXOAAHMSSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000912049738 593056887 /nfs/dbraw/zinc/05/68/87/593056887.db2.gz WLBONNIXSNNXNE-NXOAAHMSSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000912049738 593056888 /nfs/dbraw/zinc/05/68/88/593056888.db2.gz WLBONNIXSNNXNE-NXOAAHMSSA-N 2 1 325.497 1.722 20 0 EDADMP CC1(C)CCC[N@@H+]1CCNC(=S)NCCC[NH+]1CCOCC1 ZINC000840831358 593197474 /nfs/dbraw/zinc/19/74/74/593197474.db2.gz NGPFEPDIXZTUDU-UHFFFAOYSA-N 2 1 328.526 1.047 20 0 EDADMP CC1(C)CCC[N@H+]1CCNC(=S)NCCC[NH+]1CCOCC1 ZINC000840831358 593197475 /nfs/dbraw/zinc/19/74/75/593197475.db2.gz NGPFEPDIXZTUDU-UHFFFAOYSA-N 2 1 328.526 1.047 20 0 EDADMP CCOC(=O)CC(C)(C)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000838930105 593240805 /nfs/dbraw/zinc/24/08/05/593240805.db2.gz URBGJSVFTUSVQN-UHFFFAOYSA-N 2 1 341.496 1.498 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C[C@@](C)(c3ccccn3)CC2=O)CC1 ZINC000758224340 593397101 /nfs/dbraw/zinc/39/71/01/593397101.db2.gz UFVOZHGWPGZSDJ-IBGZPJMESA-N 2 1 330.476 1.803 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C(=O)[C@]4(CCCO4)[C@@H]3C3CC3)C2)CC1 ZINC000840037489 593402369 /nfs/dbraw/zinc/40/23/69/593402369.db2.gz QIGFYTPZEAYNLC-HBFSDRIKSA-N 2 1 347.503 1.778 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NOC/C=C/Cl ZINC000812705831 593507744 /nfs/dbraw/zinc/50/77/44/593507744.db2.gz GLAFNXJQHKKPMV-IZPAUZPXSA-N 2 1 332.876 1.728 20 0 EDADMP O=C(CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc(F)cc(F)c1 ZINC000818987189 593732548 /nfs/dbraw/zinc/73/25/48/593732548.db2.gz UKFNSEWQUNLQPQ-HOTGVXAUSA-N 2 1 339.386 1.746 20 0 EDADMP O=C(CC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cc(F)cc(F)c1 ZINC000818987189 593732549 /nfs/dbraw/zinc/73/25/49/593732549.db2.gz UKFNSEWQUNLQPQ-HOTGVXAUSA-N 2 1 339.386 1.746 20 0 EDADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000819003813 593733449 /nfs/dbraw/zinc/73/34/49/593733449.db2.gz HIXYZEXAUZOUFR-YOEHRIQHSA-N 2 1 337.439 1.345 20 0 EDADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000820806247 593894402 /nfs/dbraw/zinc/89/44/02/593894402.db2.gz DBFOTFHMELPPCR-NSHDSACASA-N 2 1 328.416 1.494 20 0 EDADMP COCC[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CCC[N@@H+]1CCOC)C2 ZINC000820808854 593895131 /nfs/dbraw/zinc/89/51/31/593895131.db2.gz PBMPADVPWKFFOI-HQSKLWIPSA-N 2 1 325.497 1.329 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000820808854 593895132 /nfs/dbraw/zinc/89/51/32/593895132.db2.gz PBMPADVPWKFFOI-HQSKLWIPSA-N 2 1 325.497 1.329 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000820808854 593895133 /nfs/dbraw/zinc/89/51/33/593895133.db2.gz PBMPADVPWKFFOI-HQSKLWIPSA-N 2 1 325.497 1.329 20 0 EDADMP COCCN1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000820808854 593895134 /nfs/dbraw/zinc/89/51/34/593895134.db2.gz PBMPADVPWKFFOI-HQSKLWIPSA-N 2 1 325.497 1.329 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)NCc3cccnc3-n3ccnc3)[C@@H]2C1 ZINC000824167655 593944204 /nfs/dbraw/zinc/94/42/04/593944204.db2.gz RJUFKJWSGVXNLF-JKSUJKDBSA-N 2 1 340.431 1.503 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821252682 593997325 /nfs/dbraw/zinc/99/73/25/593997325.db2.gz AZKVGMZQWJAISA-JQFCIGGWSA-N 2 1 344.463 1.562 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821252682 593997328 /nfs/dbraw/zinc/99/73/28/593997328.db2.gz AZKVGMZQWJAISA-JQFCIGGWSA-N 2 1 344.463 1.562 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821252682 593997330 /nfs/dbraw/zinc/99/73/30/593997330.db2.gz AZKVGMZQWJAISA-JQFCIGGWSA-N 2 1 344.463 1.562 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000821252733 593997546 /nfs/dbraw/zinc/99/75/46/593997546.db2.gz BLWYIBZZVOFHFP-RRQGHBQHSA-N 2 1 344.463 1.705 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000821252733 593997548 /nfs/dbraw/zinc/99/75/48/593997548.db2.gz BLWYIBZZVOFHFP-RRQGHBQHSA-N 2 1 344.463 1.705 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000821252733 593997550 /nfs/dbraw/zinc/99/75/50/593997550.db2.gz BLWYIBZZVOFHFP-RRQGHBQHSA-N 2 1 344.463 1.705 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000821252733 593997552 /nfs/dbraw/zinc/99/75/52/593997552.db2.gz BLWYIBZZVOFHFP-RRQGHBQHSA-N 2 1 344.463 1.705 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000821391308 594035585 /nfs/dbraw/zinc/03/55/85/594035585.db2.gz JILGENVNXDFUDY-INIZCTEOSA-N 2 1 343.512 1.924 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000821391308 594035587 /nfs/dbraw/zinc/03/55/87/594035587.db2.gz JILGENVNXDFUDY-INIZCTEOSA-N 2 1 343.512 1.924 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc([C@@H]4C[C@H]5C[C@H]5[NH2+]4)n3)cn2)CC1 ZINC000822951073 594127236 /nfs/dbraw/zinc/12/72/36/594127236.db2.gz JNJSEIQLCISSSH-KFWWJZLASA-N 2 1 340.431 1.696 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C(\C)c1cnccn1 ZINC000825567580 594201616 /nfs/dbraw/zinc/20/16/16/594201616.db2.gz CFZPFASFYICRDO-MAUBAPBLSA-N 2 1 345.491 1.754 20 0 EDADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1C(=O)OC(C)(C)C ZINC000828932353 594532832 /nfs/dbraw/zinc/53/28/32/594532832.db2.gz RRICHDDCUWCTCJ-BZUAXINKSA-N 2 1 326.481 1.743 20 0 EDADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1C(=O)OC(C)(C)C ZINC000828932353 594532834 /nfs/dbraw/zinc/53/28/34/594532834.db2.gz RRICHDDCUWCTCJ-BZUAXINKSA-N 2 1 326.481 1.743 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC000829578813 594644203 /nfs/dbraw/zinc/64/42/03/594644203.db2.gz XFUCBYLRXRMYJW-QGZVFWFLSA-N 2 1 325.497 1.534 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC000829578813 594644204 /nfs/dbraw/zinc/64/42/04/594644204.db2.gz XFUCBYLRXRMYJW-QGZVFWFLSA-N 2 1 325.497 1.534 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NCCCC[NH+](C)C2CC2)C[C@@H]1C ZINC000827154464 594648764 /nfs/dbraw/zinc/64/87/64/594648764.db2.gz BVCMQMRQCSMDTB-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NCCCC[N@H+](C)C2CC2)C[C@@H]1C ZINC000827154464 594648765 /nfs/dbraw/zinc/64/87/65/594648765.db2.gz BVCMQMRQCSMDTB-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NCCCC[N@@H+](C)C2CC2)C[C@@H]1C ZINC000827154464 594648766 /nfs/dbraw/zinc/64/87/66/594648766.db2.gz BVCMQMRQCSMDTB-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000827247514 594656148 /nfs/dbraw/zinc/65/61/48/594656148.db2.gz XCIYOAKHKRCZJU-ZSYWTGECSA-N 2 1 327.472 1.884 20 0 EDADMP C[NH+]1C[C@H](C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)[C@@H](c2ccccc2)C1 ZINC000827247514 594656149 /nfs/dbraw/zinc/65/61/49/594656149.db2.gz XCIYOAKHKRCZJU-ZSYWTGECSA-N 2 1 327.472 1.884 20 0 EDADMP C[NH+]1C[C@H](C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)[C@@H](c2ccccc2)C1 ZINC000827247514 594656150 /nfs/dbraw/zinc/65/61/50/594656150.db2.gz XCIYOAKHKRCZJU-ZSYWTGECSA-N 2 1 327.472 1.884 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H]3[C@H](CC[N@@H+]3C)C1)n2C ZINC000827287428 594658767 /nfs/dbraw/zinc/65/87/67/594658767.db2.gz KLXLBAGKWWUMCE-TZMCWYRMSA-N 2 1 342.447 1.201 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H]3[C@H](CC[N@H+]3C)C1)n2C ZINC000827287428 594658768 /nfs/dbraw/zinc/65/87/68/594658768.db2.gz KLXLBAGKWWUMCE-TZMCWYRMSA-N 2 1 342.447 1.201 20 0 EDADMP CCO[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C[NH+](C)C ZINC000831756755 594699932 /nfs/dbraw/zinc/69/99/32/594699932.db2.gz KYQBQTOFTXVRRB-ZWKOTPCHSA-N 2 1 348.491 1.377 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000833552335 594872221 /nfs/dbraw/zinc/87/22/21/594872221.db2.gz JTQYZKYCDIZHAQ-RHSMWYFYSA-N 2 1 329.460 1.162 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000833552335 594872224 /nfs/dbraw/zinc/87/22/24/594872224.db2.gz JTQYZKYCDIZHAQ-RHSMWYFYSA-N 2 1 329.460 1.162 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000833552335 594872225 /nfs/dbraw/zinc/87/22/25/594872225.db2.gz JTQYZKYCDIZHAQ-RHSMWYFYSA-N 2 1 329.460 1.162 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cccc2c1CC[NH2+]C2 ZINC000841305014 594883319 /nfs/dbraw/zinc/88/33/19/594883319.db2.gz DSMKDHDGDZTCOX-LSDHHAIUSA-N 2 1 330.432 1.317 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCCC[C@H]2C[NH3+])cn1 ZINC000841721509 594943510 /nfs/dbraw/zinc/94/35/10/594943510.db2.gz HICYGDQZMANFRY-HNNXBMFYSA-N 2 1 328.420 1.599 20 0 EDADMP C[C@@]1(CNC(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841898610 594976675 /nfs/dbraw/zinc/97/66/75/594976675.db2.gz OZZOGCRNYIGNHJ-HKUYNNGSSA-N 2 1 346.475 1.268 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841928662 594983526 /nfs/dbraw/zinc/98/35/26/594983526.db2.gz QWRHASGYEKQXID-HNNXBMFYSA-N 2 1 348.491 1.174 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)NC3CCCCCCC3)C2)nn1 ZINC000842479114 595115876 /nfs/dbraw/zinc/11/58/76/595115876.db2.gz VYGHPCYYQQPYJO-KRWDZBQOSA-N 2 1 348.495 1.603 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)NC3CCCCCCC3)C2)nn1 ZINC000842479114 595115878 /nfs/dbraw/zinc/11/58/78/595115878.db2.gz VYGHPCYYQQPYJO-KRWDZBQOSA-N 2 1 348.495 1.603 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCCCC1 ZINC000837766381 595190714 /nfs/dbraw/zinc/19/07/14/595190714.db2.gz DLRZTKBBWQPNJS-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC[N@@H+](C)C(C)C)cn1 ZINC000101985099 595283773 /nfs/dbraw/zinc/28/37/73/595283773.db2.gz MXWZOWJMWAUXCI-UHFFFAOYSA-N 2 1 330.436 1.715 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC[N@H+](C)C(C)C)cn1 ZINC000101985099 595283775 /nfs/dbraw/zinc/28/37/75/595283775.db2.gz MXWZOWJMWAUXCI-UHFFFAOYSA-N 2 1 330.436 1.715 20 0 EDADMP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000844167436 595289154 /nfs/dbraw/zinc/28/91/54/595289154.db2.gz IAHQQCJSWHTLRE-GOSISDBHSA-N 2 1 349.450 1.629 20 0 EDADMP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000844167436 595289156 /nfs/dbraw/zinc/28/91/56/595289156.db2.gz IAHQQCJSWHTLRE-GOSISDBHSA-N 2 1 349.450 1.629 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000844172409 595290806 /nfs/dbraw/zinc/29/08/06/595290806.db2.gz XEFAWMSUXSQQIC-MAUKXSAKSA-N 2 1 347.459 1.455 20 0 EDADMP O=C(CO[C@@H]1CCC[NH2+]C1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000844175306 595292410 /nfs/dbraw/zinc/29/24/10/595292410.db2.gz JMNVWZSVOHITJD-GOSISDBHSA-N 2 1 347.459 1.268 20 0 EDADMP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2Cl)CC1 ZINC000844190196 595298140 /nfs/dbraw/zinc/29/81/40/595298140.db2.gz FXYRUXWLUBRXSS-DFBGVHRSSA-N 2 1 334.851 1.781 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000844192588 595298680 /nfs/dbraw/zinc/29/86/80/595298680.db2.gz ZVFQVLMCUNKKNC-UHFFFAOYSA-N 3 1 325.416 1.544 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CCOC)CC1(C)C ZINC000844594571 595362772 /nfs/dbraw/zinc/36/27/72/595362772.db2.gz XXLBYQWOXJFFKS-OAHLLOKOSA-N 2 1 342.553 1.388 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CC[N@H+](CCOC)CC1(C)C ZINC000844594571 595362775 /nfs/dbraw/zinc/36/27/75/595362775.db2.gz XXLBYQWOXJFFKS-OAHLLOKOSA-N 2 1 342.553 1.388 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CC[N@@H+](CCOC)CC1(C)C ZINC000844594571 595362778 /nfs/dbraw/zinc/36/27/78/595362778.db2.gz XXLBYQWOXJFFKS-OAHLLOKOSA-N 2 1 342.553 1.388 20 0 EDADMP CN(CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)OC(C)(C)C ZINC000848525561 595402303 /nfs/dbraw/zinc/40/23/03/595402303.db2.gz QFYVRCGVFFTULC-OAHLLOKOSA-N 2 1 327.469 1.696 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1cccc(F)c1 ZINC000848523404 595402634 /nfs/dbraw/zinc/40/26/34/595402634.db2.gz CYUCTZRRWJWOOX-DLBZAZTESA-N 2 1 338.423 1.408 20 0 EDADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1COC2(CCOCC2)O1 ZINC000848539000 595404174 /nfs/dbraw/zinc/40/41/74/595404174.db2.gz GFZHEHJPVDKQPZ-DLBZAZTESA-N 2 1 340.464 1.142 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)s1 ZINC000848930897 595469237 /nfs/dbraw/zinc/46/92/37/595469237.db2.gz YBQVNGWCVIVIPP-OAHLLOKOSA-N 2 1 338.521 1.891 20 0 EDADMP CC(C)CNC(=[NH2+])NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000849059027 595476794 /nfs/dbraw/zinc/47/67/94/595476794.db2.gz CUKFNYAPVZQGRJ-UHFFFAOYSA-N 2 1 331.464 1.344 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(F)cc1 ZINC000849067718 595477519 /nfs/dbraw/zinc/47/75/19/595477519.db2.gz YCYKVZBDJKACSG-HNNXBMFYSA-N 2 1 335.427 1.154 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCc2ccccc2C1 ZINC000849075853 595478270 /nfs/dbraw/zinc/47/82/70/595478270.db2.gz UGTMHYGXJLQCRG-INIZCTEOSA-N 2 1 330.476 1.628 20 0 EDADMP COc1ccc([C@@H]2C[C@H]2NC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000849093616 595480363 /nfs/dbraw/zinc/48/03/63/595480363.db2.gz BTXITVJRUYXTGV-DLBZAZTESA-N 2 1 332.448 1.387 20 0 EDADMP CCN(CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)CCC(F)(F)F ZINC000849098242 595481190 /nfs/dbraw/zinc/48/11/90/595481190.db2.gz HZOBYMCEIKAZFG-ZDUSSCGKSA-N 2 1 337.434 1.859 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC2(C[NH+](C)C)CCC2)cn1 ZINC000849585910 595582542 /nfs/dbraw/zinc/58/25/42/595582542.db2.gz MZNSOLXZRWOPLJ-HOTGVXAUSA-N 2 1 333.480 1.056 20 0 EDADMP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849585337 595583248 /nfs/dbraw/zinc/58/32/48/595583248.db2.gz LBWABUTWWLYMRY-MSOLQXFVSA-N 2 1 347.507 1.400 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C=C3CC[NH2+]CC3)cc2)CC1 ZINC000852873547 595592509 /nfs/dbraw/zinc/59/25/09/595592509.db2.gz YHKCNXZLECFKTC-UHFFFAOYSA-N 2 1 342.487 1.360 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(Cl)cn1 ZINC000855347214 595682330 /nfs/dbraw/zinc/68/23/30/595682330.db2.gz YQOSSWGRYAYZQX-ZDUSSCGKSA-N 2 1 326.872 1.666 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(Cl)cn1 ZINC000855347214 595682333 /nfs/dbraw/zinc/68/23/33/595682333.db2.gz YQOSSWGRYAYZQX-ZDUSSCGKSA-N 2 1 326.872 1.666 20 0 EDADMP C[C@H]([NH2+]C[C@](O)(C(N)=O)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851926339 595974633 /nfs/dbraw/zinc/97/46/33/595974633.db2.gz OKRGQQNPKAAFJW-RZQQEMMASA-N 2 1 345.487 1.602 20 0 EDADMP C[C@H]([NH2+]C[C@](O)(C(N)=O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000851926339 595974636 /nfs/dbraw/zinc/97/46/36/595974636.db2.gz OKRGQQNPKAAFJW-RZQQEMMASA-N 2 1 345.487 1.602 20 0 EDADMP C[NH+]1CCC(ONC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)CC1 ZINC000854357536 596050994 /nfs/dbraw/zinc/05/09/94/596050994.db2.gz IABITXLTIMPJHQ-UHFFFAOYSA-N 2 1 342.443 1.911 20 0 EDADMP C[NH+]1CCC(ONC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)CC1 ZINC000854357536 596050999 /nfs/dbraw/zinc/05/09/99/596050999.db2.gz IABITXLTIMPJHQ-UHFFFAOYSA-N 2 1 342.443 1.911 20 0 EDADMP O=C(CC[NH+]1CCc2ccccc2C1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861717219 596078568 /nfs/dbraw/zinc/07/85/68/596078568.db2.gz YQWNNHDDXALRNZ-RTBURBONSA-N 2 1 343.471 1.102 20 0 EDADMP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000861717219 596078574 /nfs/dbraw/zinc/07/85/74/596078574.db2.gz YQWNNHDDXALRNZ-RTBURBONSA-N 2 1 343.471 1.102 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000861717219 596078579 /nfs/dbraw/zinc/07/85/79/596078579.db2.gz YQWNNHDDXALRNZ-RTBURBONSA-N 2 1 343.471 1.102 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857119242 596162826 /nfs/dbraw/zinc/16/28/26/596162826.db2.gz KJVJEORZRUUPOT-VQIMIIECSA-N 2 1 345.487 1.634 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857119242 596162830 /nfs/dbraw/zinc/16/28/30/596162830.db2.gz KJVJEORZRUUPOT-VQIMIIECSA-N 2 1 345.487 1.634 20 0 EDADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCC[NH+]3CCCOCC3)c2)C1 ZINC000857187704 596180609 /nfs/dbraw/zinc/18/06/09/596180609.db2.gz GIWWADDIDQEDLO-LJQANCHMSA-N 2 1 345.487 1.948 20 0 EDADMP COC(=O)/C=C\c1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000866665858 596285178 /nfs/dbraw/zinc/28/51/78/596285178.db2.gz JCCMDVYUCXQFEW-RCVQAOCZSA-N 2 1 330.428 1.935 20 0 EDADMP COC(=O)/C=C\c1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000866665858 596285182 /nfs/dbraw/zinc/28/51/82/596285182.db2.gz JCCMDVYUCXQFEW-RCVQAOCZSA-N 2 1 330.428 1.935 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCc2nnnn2-c2ccccc2)C1 ZINC000866705214 596301340 /nfs/dbraw/zinc/30/13/40/596301340.db2.gz VOYBITBLCXRWOC-SFHVURJKSA-N 2 1 328.464 1.902 20 0 EDADMP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866706320 596302015 /nfs/dbraw/zinc/30/20/15/596302015.db2.gz HIHDXFCVBWGFLO-GOSISDBHSA-N 2 1 339.480 1.095 20 0 EDADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)c1 ZINC000866709214 596302872 /nfs/dbraw/zinc/30/28/72/596302872.db2.gz IZVKKTUXQICNBW-NXHRZFHOSA-N 2 1 329.444 1.979 20 0 EDADMP CSc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866708043 596303279 /nfs/dbraw/zinc/30/32/79/596303279.db2.gz MNSOPIHRLMDFOH-BMFZPTHFSA-N 2 1 333.457 1.775 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](C)C1 ZINC000870887511 596391346 /nfs/dbraw/zinc/39/13/46/596391346.db2.gz CPYPRJYPNFSYMD-NCOADZHNSA-N 2 1 325.497 1.757 20 0 EDADMP COCC[N@H+]1CCN(C(=O)[C@H]2CCCN(CC(F)F)C2)C(C)(C)C1 ZINC000869158143 596428033 /nfs/dbraw/zinc/42/80/33/596428033.db2.gz BCAVABBETXYPPN-AWEZNQCLSA-N 2 1 347.450 1.533 20 0 EDADMP COCCN1CCN(C(=O)[C@H]2CCCN(CC(F)F)C2)C(C)(C)C1 ZINC000869158143 596428034 /nfs/dbraw/zinc/42/80/34/596428034.db2.gz BCAVABBETXYPPN-AWEZNQCLSA-N 2 1 347.450 1.533 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCCN(CC(F)F)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190901 596441211 /nfs/dbraw/zinc/44/12/11/596441211.db2.gz WDNQWAYDVNNAAI-BYNSBNAKSA-N 2 1 347.450 1.577 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCCN(CC(F)F)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190901 596441212 /nfs/dbraw/zinc/44/12/12/596441212.db2.gz WDNQWAYDVNNAAI-BYNSBNAKSA-N 2 1 347.450 1.577 20 0 EDADMP CC(=O)NCC1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000865462305 596582784 /nfs/dbraw/zinc/58/27/84/596582784.db2.gz JNJZEBRLIBBHIH-FAFZWHIHSA-N 2 1 337.508 1.914 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000863553992 596616212 /nfs/dbraw/zinc/61/62/12/596616212.db2.gz OVJUNROQTYYQED-UHFFFAOYSA-N 2 1 334.416 1.648 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)CC1(C)C ZINC000865774094 596677949 /nfs/dbraw/zinc/67/79/49/596677949.db2.gz OZWRBZVRHSCOOB-INIZCTEOSA-N 2 1 344.459 1.701 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@H]1C[NH+](C)C ZINC000870025542 596714468 /nfs/dbraw/zinc/71/44/68/596714468.db2.gz VXMAMGUGRDKZLR-ZIAGYGMSSA-N 2 1 329.448 1.374 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868217364 596729821 /nfs/dbraw/zinc/72/98/21/596729821.db2.gz SBJUDKPJPGDDKF-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868217364 596729824 /nfs/dbraw/zinc/72/98/24/596729824.db2.gz SBJUDKPJPGDDKF-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868217364 596729826 /nfs/dbraw/zinc/72/98/26/596729826.db2.gz SBJUDKPJPGDDKF-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242030 596742519 /nfs/dbraw/zinc/74/25/19/596742519.db2.gz VYPQCHLUHCPUCW-YESZJQIVSA-N 2 1 344.459 1.430 20 0 EDADMP C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000870121501 596759920 /nfs/dbraw/zinc/75/99/20/596759920.db2.gz DYSXXWAMOWUSPI-PKOBYXMFSA-N 2 1 342.487 1.282 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000870121501 596759928 /nfs/dbraw/zinc/75/99/28/596759928.db2.gz DYSXXWAMOWUSPI-PKOBYXMFSA-N 2 1 342.487 1.282 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CCCC[C@@H]3F)C2)CC1 ZINC000868287776 596767700 /nfs/dbraw/zinc/76/77/00/596767700.db2.gz KKPJTRXUFBRQCT-CWRNSKLLSA-N 2 1 326.460 1.735 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000870187440 596790869 /nfs/dbraw/zinc/79/08/69/596790869.db2.gz POKOSPNWFJOISJ-UHFFFAOYSA-N 2 1 326.444 1.971 20 0 EDADMP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)C1 ZINC000866267920 596842753 /nfs/dbraw/zinc/84/27/53/596842753.db2.gz ISGLLNZCZKHXRF-QRVBRYPASA-N 2 1 337.508 1.330 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000872254617 596855912 /nfs/dbraw/zinc/85/59/12/596855912.db2.gz ARRDORQDPPESTE-WPWUTFCESA-N 2 1 331.391 1.706 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000872256189 596856731 /nfs/dbraw/zinc/85/67/31/596856731.db2.gz QDJASKLYYSGGHJ-JCGIZDLHSA-N 2 1 338.411 1.602 20 0 EDADMP CC[C@@H]1COCCN1CCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000875662553 596937869 /nfs/dbraw/zinc/93/78/69/596937869.db2.gz LRTXUOHQWNGJHG-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CN1CC(=O)N(C(C)C)C1=O ZINC000872744469 597055614 /nfs/dbraw/zinc/05/56/14/597055614.db2.gz VXGQPHKUHLYKHT-UHFFFAOYSA-N 2 1 338.496 1.916 20 0 EDADMP CCNc1nc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)nc(NC(C)(C)C)[nH+]1 ZINC000872779365 597065390 /nfs/dbraw/zinc/06/53/90/597065390.db2.gz GFMAXQIDBPPSIS-CHWSQXEVSA-N 2 1 333.484 1.609 20 0 EDADMP CCNc1nc(N2CC[C@@H]3[C@H]2CCC[N@H+]3C)nc(NC(C)(C)C)[nH+]1 ZINC000872779365 597065392 /nfs/dbraw/zinc/06/53/92/597065392.db2.gz GFMAXQIDBPPSIS-CHWSQXEVSA-N 2 1 333.484 1.609 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000873111028 597199478 /nfs/dbraw/zinc/19/94/78/597199478.db2.gz CESCJEXMUZUZEC-HOTGVXAUSA-N 2 1 330.432 1.040 20 0 EDADMP CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873202743 597225513 /nfs/dbraw/zinc/22/55/13/597225513.db2.gz BLUPQYJMCYOYGK-CYBMUJFWSA-N 2 1 343.518 1.298 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)C1 ZINC000873206002 597226814 /nfs/dbraw/zinc/22/68/14/597226814.db2.gz YMONBDAPXAICPF-MRXNPFEDSA-N 2 1 334.533 1.606 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873223945 597231831 /nfs/dbraw/zinc/23/18/31/597231831.db2.gz VNENWZHKLXPDHF-LJQANCHMSA-N 2 1 349.523 1.762 20 0 EDADMP CC(C)(O)C[N@@H+]1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236039 597234950 /nfs/dbraw/zinc/23/49/50/597234950.db2.gz SYQHONSPIRHNFZ-VPWXQRGCSA-N 2 1 345.487 1.677 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236039 597234953 /nfs/dbraw/zinc/23/49/53/597234953.db2.gz SYQHONSPIRHNFZ-VPWXQRGCSA-N 2 1 345.487 1.677 20 0 EDADMP CC(C)(O)C[N@@H+]1CC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236035 597235186 /nfs/dbraw/zinc/23/51/86/597235186.db2.gz SYQHONSPIRHNFZ-RIFZZMRRSA-N 2 1 345.487 1.677 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236035 597235191 /nfs/dbraw/zinc/23/51/91/597235191.db2.gz SYQHONSPIRHNFZ-RIFZZMRRSA-N 2 1 345.487 1.677 20 0 EDADMP CC(C)(O)C[N@@H+]1CC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236030 597235274 /nfs/dbraw/zinc/23/52/74/597235274.db2.gz SYQHONSPIRHNFZ-KNBMTAEXSA-N 2 1 345.487 1.677 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236030 597235277 /nfs/dbraw/zinc/23/52/77/597235277.db2.gz SYQHONSPIRHNFZ-KNBMTAEXSA-N 2 1 345.487 1.677 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CCCCC1 ZINC000874994675 597235490 /nfs/dbraw/zinc/23/54/90/597235490.db2.gz VRVHKOBUPPFVTI-HNNXBMFYSA-N 2 1 340.512 1.395 20 0 EDADMP CC[C@@H]1COCCN1CCNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000875072310 597270592 /nfs/dbraw/zinc/27/05/92/597270592.db2.gz USFUILHIJKNLLN-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000876727136 597308426 /nfs/dbraw/zinc/30/84/26/597308426.db2.gz UMSTUWNQAMSSDJ-OGZRUICASA-N 2 1 333.501 1.991 20 0 EDADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000876733931 597312213 /nfs/dbraw/zinc/31/22/13/597312213.db2.gz LABTWLOZUKUZNJ-CEXNOZIFSA-N 2 1 325.416 1.604 20 0 EDADMP COC[C@]1(C(=O)NCc2cccnc2-n2cc[nH+]c2C)CCCC[NH2+]1 ZINC000876734060 597312367 /nfs/dbraw/zinc/31/23/67/597312367.db2.gz OGYVHMCCKZKTBB-SFHVURJKSA-N 2 1 343.431 1.351 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876742319 597317164 /nfs/dbraw/zinc/31/71/64/597317164.db2.gz XFFBXJOZVFYMIJ-KSZLIROESA-N 2 1 333.451 1.615 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000876782330 597338392 /nfs/dbraw/zinc/33/83/92/597338392.db2.gz PAYSRYPYXNZNGW-PBHICJAKSA-N 2 1 334.439 1.715 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000876829326 597353075 /nfs/dbraw/zinc/35/30/75/597353075.db2.gz HMNZDCVBGSEEGE-NUEKZKHPSA-N 2 1 344.484 1.822 20 0 EDADMP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)C1(F)F ZINC000876838757 597354259 /nfs/dbraw/zinc/35/42/59/597354259.db2.gz MVRIAHGJAYWMSN-RAIGVLPGSA-N 2 1 329.778 1.653 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000875372018 597404520 /nfs/dbraw/zinc/40/45/20/597404520.db2.gz JCJDIXWFMKZAAW-CABCVRRESA-N 2 1 326.485 1.005 20 0 EDADMP CCOC(=O)N1CCC(C)(C[NH2+]C2CC[NH+](CCOC)CC2)CC1 ZINC000876986450 597406167 /nfs/dbraw/zinc/40/61/67/597406167.db2.gz GKOOBMIOQLIDCN-UHFFFAOYSA-N 2 1 341.496 1.945 20 0 EDADMP CC[C@H]1COCCN1CCNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000875535646 597468760 /nfs/dbraw/zinc/46/87/60/597468760.db2.gz QXDMZPAQPFFVCN-DOTOQJQBSA-N 2 1 338.496 1.413 20 0 EDADMP COCCC1(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000877267818 597483700 /nfs/dbraw/zinc/48/37/00/597483700.db2.gz GIXHLCVOAVSKPX-INIZCTEOSA-N 2 1 345.487 1.708 20 0 EDADMP COCCC1(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000877267818 597483702 /nfs/dbraw/zinc/48/37/02/597483702.db2.gz GIXHLCVOAVSKPX-INIZCTEOSA-N 2 1 345.487 1.708 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)NC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000879569221 597635595 /nfs/dbraw/zinc/63/55/95/597635595.db2.gz LGCPLJBHHNIRBF-ZBFHGGJFSA-N 2 1 330.432 1.751 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)NC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000879569221 597635597 /nfs/dbraw/zinc/63/55/97/597635597.db2.gz LGCPLJBHHNIRBF-ZBFHGGJFSA-N 2 1 330.432 1.751 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)NC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000879569221 597635598 /nfs/dbraw/zinc/63/55/98/597635598.db2.gz LGCPLJBHHNIRBF-ZBFHGGJFSA-N 2 1 330.432 1.751 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)NC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000879569221 597635600 /nfs/dbraw/zinc/63/56/00/597635600.db2.gz LGCPLJBHHNIRBF-ZBFHGGJFSA-N 2 1 330.432 1.751 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000878697713 597682304 /nfs/dbraw/zinc/68/23/04/597682304.db2.gz IYEHTXFKNUSALH-SFHVURJKSA-N 2 1 339.480 1.251 20 0 EDADMP C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000878947402 597764121 /nfs/dbraw/zinc/76/41/21/597764121.db2.gz XIKOPHMTDPZZED-CRAIPNDOSA-N 2 1 349.523 1.808 20 0 EDADMP CONC(=O)C1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000879926148 597767945 /nfs/dbraw/zinc/76/79/45/597767945.db2.gz MEGFQCBZWAYTAZ-IBGZPJMESA-N 2 1 347.459 1.013 20 0 EDADMP CONC(=O)C1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000879926148 597767947 /nfs/dbraw/zinc/76/79/47/597767947.db2.gz MEGFQCBZWAYTAZ-IBGZPJMESA-N 2 1 347.459 1.013 20 0 EDADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCCC(=O)NC(N)=O)C2 ZINC000880021088 597812128 /nfs/dbraw/zinc/81/21/28/597812128.db2.gz XXNKNGMDZAJMIL-QFBILLFUSA-N 2 1 344.459 1.415 20 0 EDADMP C[C@]12C[NH+](CCCC(=O)NC(N)=O)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880021088 597812131 /nfs/dbraw/zinc/81/21/31/597812131.db2.gz XXNKNGMDZAJMIL-QFBILLFUSA-N 2 1 344.459 1.415 20 0 EDADMP C[C@]12C[NH+](CCCC(=O)NC(N)=O)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880021088 597812133 /nfs/dbraw/zinc/81/21/33/597812133.db2.gz XXNKNGMDZAJMIL-QFBILLFUSA-N 2 1 344.459 1.415 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)CCN1c1cc[nH+]cc1 ZINC000883666278 597855563 /nfs/dbraw/zinc/85/55/63/597855563.db2.gz LVCNMBAONIRHNS-MRXNPFEDSA-N 2 1 347.463 1.024 20 0 EDADMP C[NH+]1CCC2(CC1)CC[NH+]([C@H]1CCN(CC(F)(F)F)C1=O)CC2 ZINC000879248711 597864381 /nfs/dbraw/zinc/86/43/81/597864381.db2.gz YKPZOFVKGHPFFK-ZDUSSCGKSA-N 2 1 333.398 1.957 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)CC2(CO)CCCC2)CCN1c1cc[nH+]cc1 ZINC000880259724 597885635 /nfs/dbraw/zinc/88/56/35/597885635.db2.gz ZVMPOWPOEJGZDQ-AEFFLSMTSA-N 2 1 333.476 1.896 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000883891783 597932656 /nfs/dbraw/zinc/93/26/56/597932656.db2.gz CJEBIEAHQFXRME-QGZVFWFLSA-N 2 1 346.475 1.487 20 0 EDADMP CCN1CC[C@@H]1CNC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000883891783 597932659 /nfs/dbraw/zinc/93/26/59/597932659.db2.gz CJEBIEAHQFXRME-QGZVFWFLSA-N 2 1 346.475 1.487 20 0 EDADMP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000883895110 597934757 /nfs/dbraw/zinc/93/47/57/597934757.db2.gz REPJAZPZZZRIAO-OAHLLOKOSA-N 2 1 336.505 1.712 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000883895110 597934760 /nfs/dbraw/zinc/93/47/60/597934760.db2.gz REPJAZPZZZRIAO-OAHLLOKOSA-N 2 1 336.505 1.712 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000883898568 597936413 /nfs/dbraw/zinc/93/64/13/597936413.db2.gz BRGFGBKTHFZZNP-QGZVFWFLSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000884206272 598028387 /nfs/dbraw/zinc/02/83/87/598028387.db2.gz QMKWLTQDUSRNLG-OAGGEKHMSA-N 2 1 331.464 1.784 20 0 EDADMP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000884208355 598029738 /nfs/dbraw/zinc/02/97/38/598029738.db2.gz XRLHNXUDXWMOFX-USXIJHARSA-N 2 1 343.427 1.282 20 0 EDADMP CN(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000881132894 598084267 /nfs/dbraw/zinc/08/42/67/598084267.db2.gz QHDZMSFWHOQNOT-GOSISDBHSA-N 2 1 345.491 1.996 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc([C@H](C)[NH3+])nn1 ZINC000881278510 598115949 /nfs/dbraw/zinc/11/59/49/598115949.db2.gz WVWFSGXOAJPYNW-SQWLQELKSA-N 2 1 342.447 1.250 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000914182400 695260430 /nfs/dbraw/zinc/26/04/30/695260430.db2.gz QHKSMMFJNAIHOJ-QGZVFWFLSA-N 2 1 330.476 1.827 20 0 EDADMP O=C(NC1C[NH+](CCC2CCOCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001031082712 695486240 /nfs/dbraw/zinc/48/62/40/695486240.db2.gz UCHMHZRZNAAXCH-ROUUACIJSA-N 2 1 335.492 1.620 20 0 EDADMP O=C(NC1C[NH+](CCC2CCOCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001031082712 695486241 /nfs/dbraw/zinc/48/62/41/695486241.db2.gz UCHMHZRZNAAXCH-ROUUACIJSA-N 2 1 335.492 1.620 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000929846481 695641231 /nfs/dbraw/zinc/64/12/31/695641231.db2.gz ONYFIDBYLGTLTF-DLBZAZTESA-N 2 1 335.492 1.717 20 0 EDADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000915098586 695739985 /nfs/dbraw/zinc/73/99/85/695739985.db2.gz PMBSNFDCIAPOFX-WMZOPIPTSA-N 2 1 337.508 1.699 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CC1CCOCC1 ZINC000993760811 696353399 /nfs/dbraw/zinc/35/33/99/696353399.db2.gz NUUNOCHGAIFFBI-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CCn1cccn1 ZINC000993728245 696354579 /nfs/dbraw/zinc/35/45/79/696354579.db2.gz HOLOWGFQECRNGC-RDJZCZTQSA-N 2 1 333.480 1.194 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@H+]1CCn1cccn1 ZINC000993803219 696379344 /nfs/dbraw/zinc/37/93/44/696379344.db2.gz HRRIMOROQYPMDN-IAGOWNOFSA-N 2 1 347.507 1.584 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCC[NH+]1CCn1cccn1 ZINC000993803219 696379347 /nfs/dbraw/zinc/37/93/47/696379347.db2.gz HRRIMOROQYPMDN-IAGOWNOFSA-N 2 1 347.507 1.584 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCC[NH+]1CCn1cccn1 ZINC000993803219 696379349 /nfs/dbraw/zinc/37/93/49/696379349.db2.gz HRRIMOROQYPMDN-IAGOWNOFSA-N 2 1 347.507 1.584 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NC2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000915970267 696606589 /nfs/dbraw/zinc/60/65/89/696606589.db2.gz PBVSPKWTQZOHHP-UHFFFAOYSA-N 2 1 343.537 1.655 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCNC(=S)NCCC[NH+]1CCOCC1 ZINC000916002170 696609970 /nfs/dbraw/zinc/60/99/70/696609970.db2.gz PFPFSHKWTPHWHS-HNNXBMFYSA-N 2 1 328.526 1.047 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=S)NCCC[NH+]1CCOCC1 ZINC000916002170 696609971 /nfs/dbraw/zinc/60/99/71/696609971.db2.gz PFPFSHKWTPHWHS-HNNXBMFYSA-N 2 1 328.526 1.047 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)s1 ZINC000940008368 700109880 /nfs/dbraw/zinc/10/98/80/700109880.db2.gz KSTZOGQIEDKVRU-ZDUSSCGKSA-N 2 1 337.493 1.411 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[N@@H+](C)C1CC1 ZINC000916851604 696793151 /nfs/dbraw/zinc/79/31/51/696793151.db2.gz RBXGYZYUTCCVNI-PBHICJAKSA-N 2 1 333.480 1.856 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000916895822 696813941 /nfs/dbraw/zinc/81/39/41/696813941.db2.gz PZBKVGZBQHCRPK-KRWDZBQOSA-N 2 1 346.475 1.147 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCc2cnn(C)c2)[C@H]1C ZINC000994427857 696855085 /nfs/dbraw/zinc/85/50/85/696855085.db2.gz VPLHKMIOSDNPRK-WMLDXEAASA-N 2 1 344.463 1.137 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCc2cnn(C)c2)[C@H]1C ZINC000994427857 696855088 /nfs/dbraw/zinc/85/50/88/696855088.db2.gz VPLHKMIOSDNPRK-WMLDXEAASA-N 2 1 344.463 1.137 20 0 EDADMP Cc1ccncc1C[N@@H+]1CCC[C@H](NC(=O)Cn2ccnc2)[C@@H]1C ZINC000994505078 696947789 /nfs/dbraw/zinc/94/77/89/696947789.db2.gz IGNIPQPSUUVCBA-RDJZCZTQSA-N 2 1 327.432 1.756 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C[C@H](O)Cc2ccccc2)C1 ZINC001031440023 697109184 /nfs/dbraw/zinc/10/91/84/697109184.db2.gz OJZZIJCUYMBVAK-RTBURBONSA-N 2 1 345.487 1.265 20 0 EDADMP CC[N@@H+]1CCO[C@H](CNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000919126464 697246432 /nfs/dbraw/zinc/24/64/32/697246432.db2.gz INCGAYILLGJCGX-IAGOWNOFSA-N 2 1 349.479 1.094 20 0 EDADMP CC[N@H+]1CCO[C@H](CNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000919126464 697246433 /nfs/dbraw/zinc/24/64/33/697246433.db2.gz INCGAYILLGJCGX-IAGOWNOFSA-N 2 1 349.479 1.094 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCCc2cccc(F)c2)C1 ZINC001031584585 697280231 /nfs/dbraw/zinc/28/02/31/697280231.db2.gz GLBYTHWUIINJJW-GOSISDBHSA-N 2 1 333.451 1.901 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001031665554 697445709 /nfs/dbraw/zinc/44/57/09/697445709.db2.gz AFLMWEVQGNPNRU-IAGOWNOFSA-N 2 1 337.508 1.722 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccn2)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031668207 697459766 /nfs/dbraw/zinc/45/97/66/697459766.db2.gz ATQIVWDLKQWNCN-SJLPKXTDSA-N 2 1 328.460 1.504 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccn2)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031668207 697459767 /nfs/dbraw/zinc/45/97/67/697459767.db2.gz ATQIVWDLKQWNCN-SJLPKXTDSA-N 2 1 328.460 1.504 20 0 EDADMP Cc1cncc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)c1 ZINC001031668561 697461112 /nfs/dbraw/zinc/46/11/12/697461112.db2.gz JQOOKGAEIGLNGE-RBUKOAKNSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1cncc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)c1 ZINC001031668561 697461114 /nfs/dbraw/zinc/46/11/14/697461114.db2.gz JQOOKGAEIGLNGE-RBUKOAKNSA-N 2 1 342.487 1.812 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)CC[N@H+]1C ZINC001031686395 697516802 /nfs/dbraw/zinc/51/68/02/697516802.db2.gz MMUSVEUVQZICPN-IXDOHACOSA-N 2 1 337.508 1.580 20 0 EDADMP O=C(NCC1C[NH+](CC2CC3(CCC3)C2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688478 697523649 /nfs/dbraw/zinc/52/36/49/697523649.db2.gz GEGOSCMIGGDVTC-ZWKOTPCHSA-N 2 1 347.503 1.478 20 0 EDADMP O=C(NCC1C[NH+](CCc2ccccc2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688568 697525639 /nfs/dbraw/zinc/52/56/39/697525639.db2.gz IRGFTNYXVBZTHK-MOPGFXCFSA-N 2 1 343.471 1.140 20 0 EDADMP O=C(NCC1C[NH+](CC2CCCCC2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031689709 697531658 /nfs/dbraw/zinc/53/16/58/697531658.db2.gz YJZSMPBLBRWAGT-ZWKOTPCHSA-N 2 1 335.492 1.478 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC000995034421 700163652 /nfs/dbraw/zinc/16/36/52/700163652.db2.gz DYPPOBLYHACKJF-HOTGVXAUSA-N 2 1 342.447 1.365 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000921422623 697601774 /nfs/dbraw/zinc/60/17/74/697601774.db2.gz BEFKRFRHUQSVHN-UGUYLWEFSA-N 2 1 340.537 1.594 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000921422623 697601777 /nfs/dbraw/zinc/60/17/77/697601777.db2.gz BEFKRFRHUQSVHN-UGUYLWEFSA-N 2 1 340.537 1.594 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CC(OCC)C2)C1 ZINC001031715115 697738234 /nfs/dbraw/zinc/73/82/34/697738234.db2.gz QBQXMLOCEJGPTJ-VMWRSERWSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001032095131 698645416 /nfs/dbraw/zinc/64/54/16/698645416.db2.gz VEGOYDKDVQUMAW-UHFFFAOYSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001032118329 698987324 /nfs/dbraw/zinc/98/73/24/698987324.db2.gz AXVLMBUSWDUIKI-UHFFFAOYSA-N 2 1 346.475 1.653 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031766503 699063355 /nfs/dbraw/zinc/06/33/55/699063355.db2.gz KAMAXBBHDQBPAT-ZWKOTPCHSA-N 2 1 345.491 1.293 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001031766503 699063356 /nfs/dbraw/zinc/06/33/56/699063356.db2.gz KAMAXBBHDQBPAT-ZWKOTPCHSA-N 2 1 345.491 1.293 20 0 EDADMP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001031766545 699063709 /nfs/dbraw/zinc/06/37/09/699063709.db2.gz KUDFFXWROMAKBX-RBUKOAKNSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001031772036 699095787 /nfs/dbraw/zinc/09/57/87/699095787.db2.gz MEWIPOQUXLAWMS-SFHVURJKSA-N 2 1 331.460 1.598 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C[C@@H](O)c2ccccc2F)C1 ZINC001031772387 699098789 /nfs/dbraw/zinc/09/87/89/699098789.db2.gz SBXTXTNXEUYDDN-QZTJIDSGSA-N 2 1 349.450 1.391 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccccc2F)C1 ZINC001031772387 699098794 /nfs/dbraw/zinc/09/87/94/699098794.db2.gz SBXTXTNXEUYDDN-QZTJIDSGSA-N 2 1 349.450 1.391 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031774513 699146288 /nfs/dbraw/zinc/14/62/88/699146288.db2.gz ALVSBRHOECVWIC-QGZVFWFLSA-N 2 1 334.464 1.578 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031774513 699146291 /nfs/dbraw/zinc/14/62/91/699146291.db2.gz ALVSBRHOECVWIC-QGZVFWFLSA-N 2 1 334.464 1.578 20 0 EDADMP CC[C@H](F)CN1CC(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566290 701585180 /nfs/dbraw/zinc/58/51/80/701585180.db2.gz AKEWANBBKFRLCU-CVEARBPZSA-N 2 1 340.487 1.047 20 0 EDADMP CC(C)CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566780 701585418 /nfs/dbraw/zinc/58/54/18/701585418.db2.gz MVHXFFBTEQFPLY-QGZVFWFLSA-N 2 1 336.524 1.345 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939258178 699435674 /nfs/dbraw/zinc/43/56/74/699435674.db2.gz PRIBWIJFXZVLTC-MLGOLLRUSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cncc(C)c2)[C@@H](C)C1 ZINC000939745187 699910717 /nfs/dbraw/zinc/91/07/17/699910717.db2.gz BEIZHPMLLRGYPN-YOEHRIQHSA-N 2 1 327.432 1.532 20 0 EDADMP Cn1ncc(C[NH2+]C2(C)CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000940159782 700292409 /nfs/dbraw/zinc/29/24/09/700292409.db2.gz VCBLARGOHBJNMG-INIZCTEOSA-N 2 1 348.495 1.160 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940159677 700292563 /nfs/dbraw/zinc/29/25/63/700292563.db2.gz ORBVGRVLMRBZAO-MRXNPFEDSA-N 2 1 345.491 1.822 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C)([NH2+]Cc3cccnc3)CC2)O1 ZINC000940176771 700309129 /nfs/dbraw/zinc/30/91/29/700309129.db2.gz ONCLIVNGTHFXRP-NVXWUHKLSA-N 2 1 346.475 1.271 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C)([NH2+]Cc3cccnc3)CC2)O1 ZINC000940176771 700309133 /nfs/dbraw/zinc/30/91/33/700309133.db2.gz ONCLIVNGTHFXRP-NVXWUHKLSA-N 2 1 346.475 1.271 20 0 EDADMP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000940178592 700312269 /nfs/dbraw/zinc/31/22/69/700312269.db2.gz IRSMOEKSJGEQPP-KRWDZBQOSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000940426479 700620252 /nfs/dbraw/zinc/62/02/52/700620252.db2.gz SFDITAKQXSJNOM-INIZCTEOSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940457454 700660859 /nfs/dbraw/zinc/66/08/59/700660859.db2.gz GOSHHSUMTUNENY-HNNXBMFYSA-N 2 1 331.464 1.207 20 0 EDADMP COc1ncccc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940457737 700661555 /nfs/dbraw/zinc/66/15/55/700661555.db2.gz RTOQZNPEGCLLFZ-MRXNPFEDSA-N 2 1 346.475 1.513 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1)[NH+](C)C ZINC000940481378 700669285 /nfs/dbraw/zinc/66/92/85/700669285.db2.gz HBSZFGTUPUAHFJ-CABCVRRESA-N 2 1 349.479 1.064 20 0 EDADMP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940832281 700931673 /nfs/dbraw/zinc/93/16/73/700931673.db2.gz WYLCUUUYJWLDIO-BRWVUGGUSA-N 2 1 337.508 1.888 20 0 EDADMP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940832281 700931674 /nfs/dbraw/zinc/93/16/74/700931674.db2.gz WYLCUUUYJWLDIO-BRWVUGGUSA-N 2 1 337.508 1.888 20 0 EDADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940832281 700931676 /nfs/dbraw/zinc/93/16/76/700931676.db2.gz WYLCUUUYJWLDIO-BRWVUGGUSA-N 2 1 337.508 1.888 20 0 EDADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940832281 700931678 /nfs/dbraw/zinc/93/16/78/700931678.db2.gz WYLCUUUYJWLDIO-BRWVUGGUSA-N 2 1 337.508 1.888 20 0 EDADMP Cc1c(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)O)CC2(C)C)ccc2c[nH+]cn21 ZINC000940852802 700952914 /nfs/dbraw/zinc/95/29/14/700952914.db2.gz FJNGIJFURHMWMI-SUMWQHHRSA-N 2 1 344.459 1.854 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940894862 700985879 /nfs/dbraw/zinc/98/58/79/700985879.db2.gz HULUFXCAFDUNPI-XJKSGUPXSA-N 2 1 330.432 1.545 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCO)CC1(C)C ZINC000941076289 701103876 /nfs/dbraw/zinc/10/38/76/701103876.db2.gz VPUZEMVBQWVZCU-SJORKVTESA-N 2 1 339.524 1.848 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941076289 701103878 /nfs/dbraw/zinc/10/38/78/701103878.db2.gz VPUZEMVBQWVZCU-SJORKVTESA-N 2 1 339.524 1.848 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941076289 701103879 /nfs/dbraw/zinc/10/38/79/701103879.db2.gz VPUZEMVBQWVZCU-SJORKVTESA-N 2 1 339.524 1.848 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)n1 ZINC000999168437 706596441 /nfs/dbraw/zinc/59/64/41/706596441.db2.gz JDZLFAQTYPTVPR-VMBOVVBDSA-N 2 1 347.463 1.331 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CC([NH2+]Cc2cnon2)C1 ZINC000999168870 706597302 /nfs/dbraw/zinc/59/73/02/706597302.db2.gz KNKNFAALAUJIKR-BCLQGDPASA-N 2 1 333.436 1.023 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1C[NH+](CCOC3CCC3)C1)CC2 ZINC001031931705 701371230 /nfs/dbraw/zinc/37/12/30/701371230.db2.gz MANSPTJXIWDHEC-INIZCTEOSA-N 2 1 346.475 1.371 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1C[NH+](CC3CCOCC3)C1)CC2 ZINC001031931737 701371514 /nfs/dbraw/zinc/37/15/14/701371514.db2.gz NDXQMIODKCWUFK-KRWDZBQOSA-N 2 1 346.475 1.229 20 0 EDADMP CC1(C)C[N@@H+](C[C@H]2CCOC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167010 701377685 /nfs/dbraw/zinc/37/76/85/701377685.db2.gz OPKORRAFUNBVLB-HZPDHXFCSA-N 2 1 335.492 1.335 20 0 EDADMP CC1(C)C[N@@H+](CC[C@H]2CCOC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221554 701412382 /nfs/dbraw/zinc/41/23/82/701412382.db2.gz XCPIIIUAZGJSND-IRXDYDNUSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](CC4CCCC4)C3)CC2)CC[N@H+]1C ZINC000941413279 701528497 /nfs/dbraw/zinc/52/84/97/701528497.db2.gz UZOYHNNIQMFERW-VQIMIIECSA-N 2 1 348.535 1.345 20 0 EDADMP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128644 701794728 /nfs/dbraw/zinc/79/47/28/701794728.db2.gz JCMNDLGXEGLTTO-DLBZAZTESA-N 2 1 345.491 1.453 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001031978169 701993668 /nfs/dbraw/zinc/99/36/68/701993668.db2.gz PUMQXESJYHJWDV-LIRRHRJNSA-N 2 1 343.471 1.463 20 0 EDADMP CCc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC000999189338 706631622 /nfs/dbraw/zinc/63/16/22/706631622.db2.gz KFIIGTNSTQCECY-OWCLPIDISA-N 2 1 348.491 1.966 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnnn2C)C(C)(C)C1 ZINC000995807340 702053722 /nfs/dbraw/zinc/05/37/22/702053722.db2.gz YAATZBOLYPCAMJ-CVEARBPZSA-N 2 1 348.495 1.015 20 0 EDADMP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)n1 ZINC000995832464 702108847 /nfs/dbraw/zinc/10/88/47/702108847.db2.gz MWJXKMYPJBIHQM-DJIMGWMZSA-N 2 1 347.507 1.570 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3cscn3)C(C)(C)C2)CC[N@@H+]1C ZINC000995834706 702111854 /nfs/dbraw/zinc/11/18/54/702111854.db2.gz VCFGHWJWUFABRA-YUELXQCFSA-N 2 1 336.505 1.810 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3cscn3)C(C)(C)C2)CC[N@H+]1C ZINC000995834706 702111856 /nfs/dbraw/zinc/11/18/56/702111856.db2.gz VCFGHWJWUFABRA-YUELXQCFSA-N 2 1 336.505 1.810 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nccn2C)C(C)(C)C1 ZINC000995878056 702184442 /nfs/dbraw/zinc/18/44/42/702184442.db2.gz DBOPYJFHUDSVDR-CVEARBPZSA-N 2 1 347.507 1.621 20 0 EDADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2(C)C)cn1 ZINC000995919277 702238984 /nfs/dbraw/zinc/23/89/84/702238984.db2.gz YINUXEDWUWWZBO-DLBZAZTESA-N 2 1 347.507 1.621 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)C(C)(C)C1)C1CCC1 ZINC000995920151 702240482 /nfs/dbraw/zinc/24/04/82/702240482.db2.gz SVSOZODFGQWHFI-OAHLLOKOSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)n1 ZINC000995930118 702260530 /nfs/dbraw/zinc/26/05/30/702260530.db2.gz ZLMMJJFDUNKKGS-RDJZCZTQSA-N 2 1 347.507 1.698 20 0 EDADMP COc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032186557 702274993 /nfs/dbraw/zinc/27/49/93/702274993.db2.gz RMARIKXGCLHMNZ-KRWDZBQOSA-N 2 1 331.460 1.237 20 0 EDADMP COc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032186558 702275140 /nfs/dbraw/zinc/27/51/40/702275140.db2.gz RMARIKXGCLHMNZ-QGZVFWFLSA-N 2 1 331.460 1.237 20 0 EDADMP Cc1ccc(C)c(OCC[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001032186330 702322950 /nfs/dbraw/zinc/32/29/50/702322950.db2.gz OCVWCMGQWXETGH-GOSISDBHSA-N 2 1 345.487 1.682 20 0 EDADMP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001032665008 706659852 /nfs/dbraw/zinc/65/98/52/706659852.db2.gz VQWCCKIMYXJBMZ-JYJNAYRXSA-N 2 1 334.464 1.717 20 0 EDADMP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001032665008 706659855 /nfs/dbraw/zinc/65/98/55/706659855.db2.gz VQWCCKIMYXJBMZ-JYJNAYRXSA-N 2 1 334.464 1.717 20 0 EDADMP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995972693 702356918 /nfs/dbraw/zinc/35/69/18/702356918.db2.gz DXMDMLFHVRFPLP-JKSUJKDBSA-N 2 1 333.480 1.231 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nccc(C)n3)C2)CC[N@@H+]1C ZINC000999209947 706662931 /nfs/dbraw/zinc/66/29/31/706662931.db2.gz RVYOSDQJMMMDKI-IXDOHACOSA-N 2 1 345.491 1.596 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nccc(C)n3)C2)CC[N@H+]1C ZINC000999209947 706662933 /nfs/dbraw/zinc/66/29/33/706662933.db2.gz RVYOSDQJMMMDKI-IXDOHACOSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)[nH]1 ZINC000995998925 702378271 /nfs/dbraw/zinc/37/82/71/702378271.db2.gz RIZZYANONJIJTD-AWEZNQCLSA-N 2 1 346.479 1.068 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996045605 702440270 /nfs/dbraw/zinc/44/02/70/702440270.db2.gz YISHFERSAWFRKW-AWEZNQCLSA-N 2 1 333.461 1.675 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)C(C)(C)C1 ZINC000996046020 702440482 /nfs/dbraw/zinc/44/04/82/702440482.db2.gz YOFYVIUBKYYACY-QGZVFWFLSA-N 2 1 341.459 1.922 20 0 EDADMP C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000942054210 702500524 /nfs/dbraw/zinc/50/05/24/702500524.db2.gz WODKHJSVPVGAGY-HOTGVXAUSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942057920 702508118 /nfs/dbraw/zinc/50/81/18/702508118.db2.gz QUOQJBGNYSXURS-ZBFHGGJFSA-N 2 1 333.480 1.295 20 0 EDADMP C[C@H]1C[N@@H+](CCCF)CC[C@@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942058580 702509371 /nfs/dbraw/zinc/50/93/71/702509371.db2.gz YPSINNQTYDZPSH-GJZGRUSLSA-N 2 1 339.459 1.245 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccns2)CC1 ZINC001032665834 706678647 /nfs/dbraw/zinc/67/86/47/706678647.db2.gz IJKSZHRHIMWPIY-HOTGVXAUSA-N 2 1 348.516 1.703 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccns2)CC1 ZINC001032665834 706678649 /nfs/dbraw/zinc/67/86/49/706678649.db2.gz IJKSZHRHIMWPIY-HOTGVXAUSA-N 2 1 348.516 1.703 20 0 EDADMP C[C@@H]([NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C)c1ncccn1 ZINC000996225001 702634768 /nfs/dbraw/zinc/63/47/68/702634768.db2.gz YDLCASMRXUTZRB-ZBFHGGJFSA-N 2 1 345.491 1.706 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)cn1 ZINC000996300100 702690996 /nfs/dbraw/zinc/69/09/96/702690996.db2.gz JYVMZJZJKQIRIE-PBHICJAKSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)nn1C ZINC000996301103 702693102 /nfs/dbraw/zinc/69/31/02/702693102.db2.gz PQORZXRAWPRMNX-WMLDXEAASA-N 2 1 347.507 1.539 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2cnsn2)CC1 ZINC000996464090 702791478 /nfs/dbraw/zinc/79/14/78/702791478.db2.gz JSRBDRWTGNOADQ-OAHLLOKOSA-N 2 1 337.493 1.492 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996464090 702791480 /nfs/dbraw/zinc/79/14/80/702791480.db2.gz JSRBDRWTGNOADQ-OAHLLOKOSA-N 2 1 337.493 1.492 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996464090 702791482 /nfs/dbraw/zinc/79/14/82/702791482.db2.gz JSRBDRWTGNOADQ-OAHLLOKOSA-N 2 1 337.493 1.492 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)nn1C ZINC000996519013 702854638 /nfs/dbraw/zinc/85/46/38/702854638.db2.gz MGGIHZOTKRJKBK-DOTOQJQBSA-N 2 1 347.507 1.397 20 0 EDADMP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996519757 702855656 /nfs/dbraw/zinc/85/56/56/702855656.db2.gz QQFRXGXOJJJIMF-HUUCEWRRSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)ncn1 ZINC000996521320 702857082 /nfs/dbraw/zinc/85/70/82/702857082.db2.gz VGIFCUNSXHWWIF-WBVHZDCISA-N 2 1 345.491 1.453 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000996602969 702912619 /nfs/dbraw/zinc/91/26/19/702912619.db2.gz JFKIAMDWCZZXJM-RYQLBKOJSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)C(C)(C)C1 ZINC000996611783 702917093 /nfs/dbraw/zinc/91/70/93/702917093.db2.gz PGACXIIWDNBWFT-HZPDHXFCSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC000996620240 702926520 /nfs/dbraw/zinc/92/65/20/702926520.db2.gz IHNIVWSEUQADNZ-OAHLLOKOSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1ncsc1CC[NH2+]C1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC000996653148 702942686 /nfs/dbraw/zinc/94/26/86/702942686.db2.gz YWWUVDOQOSQQCP-UHFFFAOYSA-N 2 1 347.488 1.931 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000996644148 702946657 /nfs/dbraw/zinc/94/66/57/702946657.db2.gz GNIKMVQCOZDAHE-GOSISDBHSA-N 2 1 347.507 1.418 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996677475 702976666 /nfs/dbraw/zinc/97/66/66/702976666.db2.gz KFJCBURPTLIWCN-DOTOQJQBSA-N 2 1 346.475 1.768 20 0 EDADMP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000996712378 703006739 /nfs/dbraw/zinc/00/67/39/703006739.db2.gz NGKAWZAPCFUAGN-AEFFLSMTSA-N 2 1 345.491 1.518 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)sn1 ZINC000942518274 703012858 /nfs/dbraw/zinc/01/28/58/703012858.db2.gz PFZCBIKDWJBLFX-MLGOLLRUSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)sn1 ZINC000942518274 703012862 /nfs/dbraw/zinc/01/28/62/703012862.db2.gz PFZCBIKDWJBLFX-MLGOLLRUSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)C[C@H]1C ZINC000942518709 703020246 /nfs/dbraw/zinc/02/02/46/703020246.db2.gz VRKPVFZDQIMDEV-RHSMWYFYSA-N 2 1 334.464 1.445 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)C[C@H]1C ZINC000942518709 703020249 /nfs/dbraw/zinc/02/02/49/703020249.db2.gz VRKPVFZDQIMDEV-RHSMWYFYSA-N 2 1 334.464 1.445 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2conc2C)C[C@@H]1C ZINC000942519147 703020630 /nfs/dbraw/zinc/02/06/30/703020630.db2.gz ZGPPCFPABKTHLN-BLLLJJGKSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2conc2C)C[C@@H]1C ZINC000942519147 703020633 /nfs/dbraw/zinc/02/06/33/703020633.db2.gz ZGPPCFPABKTHLN-BLLLJJGKSA-N 2 1 331.420 1.515 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CCOCC2)C1 ZINC001032026692 703045007 /nfs/dbraw/zinc/04/50/07/703045007.db2.gz ILGZREXMNLVSHB-SFHVURJKSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)N1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000996764187 703056366 /nfs/dbraw/zinc/05/63/66/703056366.db2.gz KJEQQHUFUKOAQS-ABHNRTSZSA-N 2 1 336.524 1.534 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996796865 703084376 /nfs/dbraw/zinc/08/43/76/703084376.db2.gz AYLBTUGOPPQJDB-UHFFFAOYSA-N 2 1 331.395 1.506 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000996799821 703086003 /nfs/dbraw/zinc/08/60/03/703086003.db2.gz ZIDSOTOWWVVCRZ-UHFFFAOYSA-N 2 1 330.436 1.014 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cncc(F)c2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597755 703112351 /nfs/dbraw/zinc/11/23/51/703112351.db2.gz NIRKDLNFCBSURI-KDOFPFPSSA-N 2 1 348.466 1.889 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597755 703112352 /nfs/dbraw/zinc/11/23/52/703112352.db2.gz NIRKDLNFCBSURI-KDOFPFPSSA-N 2 1 348.466 1.889 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@@H](C(F)(F)F)C1 ZINC000996853770 703132401 /nfs/dbraw/zinc/13/24/01/703132401.db2.gz FXSDSSNMCDYVMN-KGLIPLIRSA-N 2 1 344.381 1.828 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042964 703210714 /nfs/dbraw/zinc/21/07/14/703210714.db2.gz PWYOGFCDQSKWQR-DLBZAZTESA-N 2 1 332.448 1.548 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032042964 703210717 /nfs/dbraw/zinc/21/07/17/703210717.db2.gz PWYOGFCDQSKWQR-DLBZAZTESA-N 2 1 332.448 1.548 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2cnsn2)CC1)[NH+](C)C ZINC000996966061 703226052 /nfs/dbraw/zinc/22/60/52/703226052.db2.gz PLYIPLXAVQBJPZ-CQSZACIVSA-N 2 1 325.482 1.205 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cncs2)CC1 ZINC000996980413 703235495 /nfs/dbraw/zinc/23/54/95/703235495.db2.gz QUEXJOMYHOPOOX-CJNGLKHVSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCN(Cc2nccn2C)CC1 ZINC000996977129 703242044 /nfs/dbraw/zinc/24/20/44/703242044.db2.gz GWRJCKASZHIKKT-ZBFHGGJFSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC000996977129 703242047 /nfs/dbraw/zinc/24/20/47/703242047.db2.gz GWRJCKASZHIKKT-ZBFHGGJFSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1cccnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000996993862 703250463 /nfs/dbraw/zinc/25/04/63/703250463.db2.gz GMKDZJCMCDPNQK-MRXNPFEDSA-N 2 1 330.476 1.955 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000996995412 703252109 /nfs/dbraw/zinc/25/21/09/703252109.db2.gz ONIULRVMZYWPID-CYBMUJFWSA-N 2 1 347.463 1.512 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000996995412 703252112 /nfs/dbraw/zinc/25/21/12/703252112.db2.gz ONIULRVMZYWPID-CYBMUJFWSA-N 2 1 347.463 1.512 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1)c1cnccn1 ZINC000996997798 703254783 /nfs/dbraw/zinc/25/47/83/703254783.db2.gz GZZWGHJAVFCGPO-HNNXBMFYSA-N 2 1 345.491 1.850 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1)c1cnccn1 ZINC000996997800 703255019 /nfs/dbraw/zinc/25/50/19/703255019.db2.gz GZZWGHJAVFCGPO-OAHLLOKOSA-N 2 1 345.491 1.850 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000997007917 703265264 /nfs/dbraw/zinc/26/52/64/703265264.db2.gz RTNAKNAQSPWHKR-INIZCTEOSA-N 2 1 337.508 1.726 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000997008469 703266343 /nfs/dbraw/zinc/26/63/43/703266343.db2.gz MMUDZBOUOAKFPX-BEFAXECRSA-N 2 1 345.487 1.974 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)n2)CC1 ZINC000997064901 703309709 /nfs/dbraw/zinc/30/97/09/703309709.db2.gz WITKTMDOZWLHEA-QGZVFWFLSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000997061977 703313211 /nfs/dbraw/zinc/31/32/11/703313211.db2.gz KRSBSNQMVCNCHZ-FUHWJXTLSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997185824 703475103 /nfs/dbraw/zinc/47/51/03/703475103.db2.gz SEQHNOAVQKTPSU-JKSUJKDBSA-N 2 1 345.491 1.768 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCC(F)(F)C3)CC2)C1 ZINC000997300426 703543924 /nfs/dbraw/zinc/54/39/24/703543924.db2.gz UWXTUVQCZAKSTL-KBPBESRZSA-N 2 1 329.435 1.954 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997300831 703544185 /nfs/dbraw/zinc/54/41/85/703544185.db2.gz YGTVZZOTCNUVGO-ZDUSSCGKSA-N 2 1 335.452 1.225 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997300831 703544186 /nfs/dbraw/zinc/54/41/86/703544186.db2.gz YGTVZZOTCNUVGO-ZDUSSCGKSA-N 2 1 335.452 1.225 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1nc(C2CC2)no1 ZINC000997296837 703555747 /nfs/dbraw/zinc/55/57/47/703555747.db2.gz CAYMPAJGYPWQLU-TZMCWYRMSA-N 2 1 347.463 1.540 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1nc(C2CC2)no1 ZINC000997296837 703555750 /nfs/dbraw/zinc/55/57/50/703555750.db2.gz CAYMPAJGYPWQLU-TZMCWYRMSA-N 2 1 347.463 1.540 20 0 EDADMP CC(C)Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000997298337 703556140 /nfs/dbraw/zinc/55/61/40/703556140.db2.gz INIDFCSGQHHXOH-CQSZACIVSA-N 2 1 349.479 1.300 20 0 EDADMP CC(C)Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000997298337 703556142 /nfs/dbraw/zinc/55/61/42/703556142.db2.gz INIDFCSGQHHXOH-CQSZACIVSA-N 2 1 349.479 1.300 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)sc1C ZINC000997298397 703556371 /nfs/dbraw/zinc/55/63/71/703556371.db2.gz IYOBUVNFNUZGIH-AWEZNQCLSA-N 2 1 336.505 1.792 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3cncc(C)c3)CC2)C1 ZINC000997335338 703563185 /nfs/dbraw/zinc/56/31/85/703563185.db2.gz KPXRYBBIHXWSON-SFHVURJKSA-N 2 1 346.475 1.191 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3cncc(C)c3)CC2)C1 ZINC000997335338 703563186 /nfs/dbraw/zinc/56/31/86/703563186.db2.gz KPXRYBBIHXWSON-SFHVURJKSA-N 2 1 346.475 1.191 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3csc(Cl)n3)CC2)C1 ZINC000997304509 703564059 /nfs/dbraw/zinc/56/40/59/703564059.db2.gz VQQIJQXMKXYDDO-LLVKDONJSA-N 2 1 342.896 1.829 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCC3CCCC3)CC2)C1 ZINC000997341405 703574001 /nfs/dbraw/zinc/57/40/01/703574001.db2.gz GGOGKGYPXLDMFB-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCC3CCCC3)CC2)C1 ZINC000997341405 703574002 /nfs/dbraw/zinc/57/40/02/703574002.db2.gz GGOGKGYPXLDMFB-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC1 ZINC001032444011 703621169 /nfs/dbraw/zinc/62/11/69/703621169.db2.gz HOHWQBQLNPJTMI-BZSNNMDCSA-N 2 1 333.476 1.325 20 0 EDADMP O=C([C@@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC1 ZINC001032444011 703621170 /nfs/dbraw/zinc/62/11/70/703621170.db2.gz HOHWQBQLNPJTMI-BZSNNMDCSA-N 2 1 333.476 1.325 20 0 EDADMP O=C([C@@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC1 ZINC001032444011 703621171 /nfs/dbraw/zinc/62/11/71/703621171.db2.gz HOHWQBQLNPJTMI-BZSNNMDCSA-N 2 1 333.476 1.325 20 0 EDADMP CC[C@H]([NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1)C(N)=O ZINC000997371378 703650538 /nfs/dbraw/zinc/65/05/38/703650538.db2.gz JXHVPFJRNUIFRJ-DLBZAZTESA-N 2 1 346.475 1.134 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](CC=C(C)C)CC2)C1 ZINC000997436249 703665446 /nfs/dbraw/zinc/66/54/46/703665446.db2.gz SDWGDFOBFAZOGJ-SJLPKXTDSA-N 2 1 337.508 1.890 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](CC=C(C)C)CC2)C1 ZINC000997436249 703665447 /nfs/dbraw/zinc/66/54/47/703665447.db2.gz SDWGDFOBFAZOGJ-SJLPKXTDSA-N 2 1 337.508 1.890 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ncccn2)CC1 ZINC000997422330 703670853 /nfs/dbraw/zinc/67/08/53/703670853.db2.gz WOAKQBPVTZZFRH-ZBFHGGJFSA-N 2 1 331.464 1.145 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ncccn2)CC1 ZINC000997422330 703670854 /nfs/dbraw/zinc/67/08/54/703670854.db2.gz WOAKQBPVTZZFRH-ZBFHGGJFSA-N 2 1 331.464 1.145 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(Cc2ncccn2)CC1 ZINC000997597397 703886831 /nfs/dbraw/zinc/88/68/31/703886831.db2.gz VJNCKTNFSPXDHV-ZMSDIMECSA-N 2 1 345.491 1.534 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](Cc2ncccn2)CC1 ZINC000997597397 703886832 /nfs/dbraw/zinc/88/68/32/703886832.db2.gz VJNCKTNFSPXDHV-ZMSDIMECSA-N 2 1 345.491 1.534 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2ncccn2)CC1 ZINC000997597397 703886834 /nfs/dbraw/zinc/88/68/34/703886834.db2.gz VJNCKTNFSPXDHV-ZMSDIMECSA-N 2 1 345.491 1.534 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000997614419 703914077 /nfs/dbraw/zinc/91/40/77/703914077.db2.gz QRUPARRXBKZFFE-DOMZBBRYSA-N 2 1 335.452 1.361 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000997642528 703948694 /nfs/dbraw/zinc/94/86/94/703948694.db2.gz RAOLMRJSTLZOFA-WMZOPIPTSA-N 2 1 347.507 1.584 20 0 EDADMP Cc1cncc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)c1 ZINC000995550603 703954444 /nfs/dbraw/zinc/95/44/44/703954444.db2.gz JXEMXIDTZWQARN-SJORKVTESA-N 2 1 330.476 1.811 20 0 EDADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995553085 703964826 /nfs/dbraw/zinc/96/48/26/703964826.db2.gz SOASCGAUCRNDLO-IAGOWNOFSA-N 2 1 330.476 1.811 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCCCO1 ZINC001032521035 703967195 /nfs/dbraw/zinc/96/71/95/703967195.db2.gz RMLVBFVWVPIMIR-OKZBNKHCSA-N 2 1 340.427 1.802 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCCCO1 ZINC001032521035 703967197 /nfs/dbraw/zinc/96/71/97/703967197.db2.gz RMLVBFVWVPIMIR-OKZBNKHCSA-N 2 1 340.427 1.802 20 0 EDADMP CCCn1ncnc1CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995554383 703969105 /nfs/dbraw/zinc/96/91/05/703969105.db2.gz WTROBKGRKTUKKS-HUUCEWRRSA-N 2 1 348.495 1.109 20 0 EDADMP CCCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995554383 703969108 /nfs/dbraw/zinc/96/91/08/703969108.db2.gz WTROBKGRKTUKKS-HUUCEWRRSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)nn1C ZINC000995555161 703974288 /nfs/dbraw/zinc/97/42/88/703974288.db2.gz YOJKTMHQPHTEDP-HZPDHXFCSA-N 2 1 333.480 1.149 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033079001 704130744 /nfs/dbraw/zinc/13/07/44/704130744.db2.gz YZBIIHIZWYKQJP-HOTGVXAUSA-N 2 1 325.497 1.819 20 0 EDADMP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001033083501 704141595 /nfs/dbraw/zinc/14/15/95/704141595.db2.gz AJACIPJVFBWMNM-BTKRWWFXSA-N 2 1 339.871 1.344 20 0 EDADMP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001033083501 704141596 /nfs/dbraw/zinc/14/15/96/704141596.db2.gz AJACIPJVFBWMNM-BTKRWWFXSA-N 2 1 339.871 1.344 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccns3)C2)CC[N@@H+]1C ZINC001033099273 704221397 /nfs/dbraw/zinc/22/13/97/704221397.db2.gz ORIOXOPUCHBQFP-CWRNSKLLSA-N 2 1 336.505 1.906 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccns3)C2)CC[N@H+]1C ZINC001033099273 704221399 /nfs/dbraw/zinc/22/13/99/704221399.db2.gz ORIOXOPUCHBQFP-CWRNSKLLSA-N 2 1 336.505 1.906 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccns3)C2)CC[NH+]1C ZINC001033099273 704221401 /nfs/dbraw/zinc/22/14/01/704221401.db2.gz ORIOXOPUCHBQFP-CWRNSKLLSA-N 2 1 336.505 1.906 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccns3)C2)CC[NH+]1C ZINC001033099273 704221403 /nfs/dbraw/zinc/22/14/03/704221403.db2.gz ORIOXOPUCHBQFP-CWRNSKLLSA-N 2 1 336.505 1.906 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnnn2CC)C1 ZINC000999300817 706803158 /nfs/dbraw/zinc/80/31/58/706803158.db2.gz BAVDLKVZMHIZOT-DOTOQJQBSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2coc(C)n2)C1 ZINC000999300784 706803169 /nfs/dbraw/zinc/80/31/69/706803169.db2.gz ALXHHGKHDKMJEC-DOTOQJQBSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2coc(C)n2)C1 ZINC000999300784 706803170 /nfs/dbraw/zinc/80/31/70/706803170.db2.gz ALXHHGKHDKMJEC-DOTOQJQBSA-N 2 1 334.464 1.938 20 0 EDADMP CCO[C@@H](C[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1CC)C[NH+](C)C ZINC000922755932 704315806 /nfs/dbraw/zinc/31/58/06/704315806.db2.gz IUDLVXBGBDKSCV-XYJFISCASA-N 2 1 338.496 1.927 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC[NH+](CC2CC2)CC1 ZINC000997692569 704565830 /nfs/dbraw/zinc/56/58/30/704565830.db2.gz VAPPKROVWUIGJJ-PYMACOCMSA-N 2 1 347.503 1.476 20 0 EDADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1 ZINC001032537635 704580053 /nfs/dbraw/zinc/58/00/53/704580053.db2.gz DMKLDAZVSKDXLK-BZSNNMDCSA-N 2 1 343.475 1.043 20 0 EDADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1 ZINC001032537635 704580055 /nfs/dbraw/zinc/58/00/55/704580055.db2.gz DMKLDAZVSKDXLK-BZSNNMDCSA-N 2 1 343.475 1.043 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC1CCOCC1 ZINC000947933938 704591014 /nfs/dbraw/zinc/59/10/14/704591014.db2.gz IIXHZOMFYWEUSH-NVXWUHKLSA-N 2 1 335.492 1.478 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000997792632 704701554 /nfs/dbraw/zinc/70/15/54/704701554.db2.gz JFSOPZVEYBHPJX-XJKCOSOUSA-N 2 1 348.495 1.343 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)[nH]1 ZINC000997831467 704749458 /nfs/dbraw/zinc/74/94/58/704749458.db2.gz SRAAIPHWMGRGRA-ZDUSSCGKSA-N 2 1 348.495 1.487 20 0 EDADMP Cc1nnc(C[NH2+]CC2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000997840097 704756288 /nfs/dbraw/zinc/75/62/88/704756288.db2.gz MJZKQHPSBQCSBY-INIZCTEOSA-N 2 1 348.495 1.316 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC000997864864 704770148 /nfs/dbraw/zinc/77/01/48/704770148.db2.gz BTHRWMJXWFNIGQ-RDJZCZTQSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997864840 704770182 /nfs/dbraw/zinc/77/01/82/704770182.db2.gz BJFXCFZWJCMBBG-HOCLYGCPSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997864840 704770184 /nfs/dbraw/zinc/77/01/84/704770184.db2.gz BJFXCFZWJCMBBG-HOCLYGCPSA-N 2 1 333.480 1.089 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000997865374 704772468 /nfs/dbraw/zinc/77/24/68/704772468.db2.gz NLBSQXIMUVBAOM-OAHLLOKOSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000997865374 704772469 /nfs/dbraw/zinc/77/24/69/704772469.db2.gz NLBSQXIMUVBAOM-OAHLLOKOSA-N 2 1 349.479 1.445 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000997865529 704772750 /nfs/dbraw/zinc/77/27/50/704772750.db2.gz FIZGBKVFTDZMSH-YOEHRIQHSA-N 2 1 348.466 1.889 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)o1 ZINC000944921023 704773287 /nfs/dbraw/zinc/77/32/87/704773287.db2.gz XRMNXMMMWNJESP-GDBMZVCRSA-N 2 1 348.491 1.968 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000997866788 704773504 /nfs/dbraw/zinc/77/35/04/704773504.db2.gz UQCQQMUNSBCAEX-CZUORRHYSA-N 2 1 348.495 1.487 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944965112 704834653 /nfs/dbraw/zinc/83/46/53/704834653.db2.gz QLDQYSMHXQXFCG-BLLLJJGKSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944965112 704834659 /nfs/dbraw/zinc/83/46/59/704834659.db2.gz QLDQYSMHXQXFCG-BLLLJJGKSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000997915909 704980203 /nfs/dbraw/zinc/98/02/03/704980203.db2.gz PBKXPQXGJJXALD-QGZVFWFLSA-N 2 1 348.491 1.835 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945092153 705061951 /nfs/dbraw/zinc/06/19/51/705061951.db2.gz PPZGVUVEDXMIPF-MAUKXSAKSA-N 2 1 333.476 1.835 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998004316 705166070 /nfs/dbraw/zinc/16/60/70/705166070.db2.gz LJAZRCHZHHNDDY-IAGOWNOFSA-N 2 1 325.497 1.555 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CCC[NH+](CCO)CC1 ZINC000998004316 705166071 /nfs/dbraw/zinc/16/60/71/705166071.db2.gz LJAZRCHZHHNDDY-IAGOWNOFSA-N 2 1 325.497 1.555 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CCC[NH+](CCO)CC1 ZINC000998004316 705166073 /nfs/dbraw/zinc/16/60/73/705166073.db2.gz LJAZRCHZHHNDDY-IAGOWNOFSA-N 2 1 325.497 1.555 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCCOC1 ZINC001032592791 705204433 /nfs/dbraw/zinc/20/44/33/705204433.db2.gz UYWUOUFTJMOHPO-XIRDDKMYSA-N 2 1 347.459 1.667 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCCOC1 ZINC001032592791 705204434 /nfs/dbraw/zinc/20/44/34/705204434.db2.gz UYWUOUFTJMOHPO-XIRDDKMYSA-N 2 1 347.459 1.667 20 0 EDADMP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998076740 705297130 /nfs/dbraw/zinc/29/71/30/705297130.db2.gz CYHUXDWWSXHUOG-GUYCJALGSA-N 2 1 334.464 1.509 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1)c1ncccn1 ZINC000998081205 705301435 /nfs/dbraw/zinc/30/14/35/705301435.db2.gz GSQDBDXXZKDCHF-JKSUJKDBSA-N 2 1 345.491 1.850 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)no1 ZINC000998081569 705302122 /nfs/dbraw/zinc/30/21/22/705302122.db2.gz JODTXKMLSDDABO-ZIAGYGMSSA-N 2 1 349.479 1.609 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)no1 ZINC000998081569 705302128 /nfs/dbraw/zinc/30/21/28/705302128.db2.gz JODTXKMLSDDABO-ZIAGYGMSSA-N 2 1 349.479 1.609 20 0 EDADMP Cn1ccnc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000998081315 705302330 /nfs/dbraw/zinc/30/23/30/705302330.db2.gz IUEDVYMFLPHIFB-UHFFFAOYSA-N 2 1 347.507 1.480 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3cccnc3)CC2)C1 ZINC000998082013 705308259 /nfs/dbraw/zinc/30/82/59/705308259.db2.gz NBYABHOHSMDCFT-INIZCTEOSA-N 2 1 330.476 1.752 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1)c1nncn1C ZINC000998082523 705309942 /nfs/dbraw/zinc/30/99/42/705309942.db2.gz QJWSORMOEMGBEZ-GJZGRUSLSA-N 2 1 348.495 1.046 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1)c1nncn1C ZINC000998084103 705314468 /nfs/dbraw/zinc/31/44/68/705314468.db2.gz ZOCRSUWKQSHQBT-LSDHHAIUSA-N 2 1 348.495 1.189 20 0 EDADMP CC(C)c1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998274750 705657340 /nfs/dbraw/zinc/65/73/40/705657340.db2.gz VCRNNDDERFTOKC-OAHLLOKOSA-N 2 1 349.479 1.473 20 0 EDADMP CC(C)c1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998274750 705657343 /nfs/dbraw/zinc/65/73/43/705657343.db2.gz VCRNNDDERFTOKC-OAHLLOKOSA-N 2 1 349.479 1.473 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)no1 ZINC000998276162 705661757 /nfs/dbraw/zinc/66/17/57/705661757.db2.gz YRMFVGMRMHVPKP-CYBMUJFWSA-N 2 1 335.452 1.363 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3CCc2ccns2)C1 ZINC001032627882 705739424 /nfs/dbraw/zinc/73/94/24/705739424.db2.gz LQYXYOJSWPCANV-ILXRZTDVSA-N 2 1 334.489 1.313 20 0 EDADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CC1 ZINC001032629828 705755267 /nfs/dbraw/zinc/75/52/67/705755267.db2.gz MVYNJEVKCXEHRO-HOTGVXAUSA-N 2 1 344.459 1.969 20 0 EDADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CC1 ZINC001032629828 705755272 /nfs/dbraw/zinc/75/52/72/705755272.db2.gz MVYNJEVKCXEHRO-HOTGVXAUSA-N 2 1 344.459 1.969 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000998556554 705992857 /nfs/dbraw/zinc/99/28/57/705992857.db2.gz NOJTUKJVFRQXMG-RUXDESIVSA-N 2 1 333.436 1.120 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000998556554 705992861 /nfs/dbraw/zinc/99/28/61/705992861.db2.gz NOJTUKJVFRQXMG-RUXDESIVSA-N 2 1 333.436 1.120 20 0 EDADMP CCn1ncnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998763773 706200108 /nfs/dbraw/zinc/20/01/08/706200108.db2.gz OXBLNVNGTJEJPT-UYSNPLJNSA-N 2 1 348.495 1.250 20 0 EDADMP Cc1conc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998763577 706202729 /nfs/dbraw/zinc/20/27/29/706202729.db2.gz NUJSYVJIHHBLKE-VMBOVVBDSA-N 2 1 334.464 1.935 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1CC([NH2+]Cc2nncn2C)C1 ZINC000998900809 706337398 /nfs/dbraw/zinc/33/73/98/706337398.db2.gz HSJCKBNXJUMNPH-PCKAHOCUSA-N 2 1 348.495 1.157 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnon2)C1 ZINC000999035237 706450281 /nfs/dbraw/zinc/45/02/81/706450281.db2.gz KBHODHGDUYVDPA-BCLQGDPASA-N 2 1 335.452 1.269 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnon2)C1 ZINC000999035237 706450283 /nfs/dbraw/zinc/45/02/83/706450283.db2.gz KBHODHGDUYVDPA-BCLQGDPASA-N 2 1 335.452 1.269 20 0 EDADMP Cc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC[C@@H]3C2)on1 ZINC000946517194 706520560 /nfs/dbraw/zinc/52/05/60/706520560.db2.gz BDQCCIUPHSPEOP-JZXOWHBKSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC[C@@H]3C2)on1 ZINC000946517194 706520562 /nfs/dbraw/zinc/52/05/62/706520562.db2.gz BDQCCIUPHSPEOP-JZXOWHBKSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC[C@@H]3C2)on1 ZINC000946517194 706520563 /nfs/dbraw/zinc/52/05/63/706520563.db2.gz BDQCCIUPHSPEOP-JZXOWHBKSA-N 2 1 346.475 1.748 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CC3CCCCC3)C2)C1 ZINC000999863104 707501187 /nfs/dbraw/zinc/50/11/87/707501187.db2.gz SRAAGYLUKGMZFW-ABHNRTSZSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CC3CCCCC3)C2)C1 ZINC000999863104 707501190 /nfs/dbraw/zinc/50/11/90/707501190.db2.gz SRAAGYLUKGMZFW-ABHNRTSZSA-N 2 1 337.508 1.866 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000999143578 706557128 /nfs/dbraw/zinc/55/71/28/706557128.db2.gz HFNBBKWSWFGIEB-RDJZCZTQSA-N 2 1 348.495 1.251 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000999143578 706557129 /nfs/dbraw/zinc/55/71/29/706557129.db2.gz HFNBBKWSWFGIEB-RDJZCZTQSA-N 2 1 348.495 1.251 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)s1 ZINC000999347804 706859861 /nfs/dbraw/zinc/85/98/61/706859861.db2.gz KURWBHDUZQRLFS-CYBMUJFWSA-N 2 1 337.493 1.411 20 0 EDADMP CCc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)o1 ZINC000999366805 706880317 /nfs/dbraw/zinc/88/03/17/706880317.db2.gz CRDVSBAEHHKRFI-RHSMWYFYSA-N 2 1 334.464 1.658 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999398128 706893089 /nfs/dbraw/zinc/89/30/89/706893089.db2.gz CKCSXIXBGHWSTD-HUUCEWRRSA-N 2 1 335.452 1.333 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999398128 706893091 /nfs/dbraw/zinc/89/30/91/706893091.db2.gz CKCSXIXBGHWSTD-HUUCEWRRSA-N 2 1 335.452 1.333 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000999400379 706895002 /nfs/dbraw/zinc/89/50/02/706895002.db2.gz KUCBYKOXDBYHEE-DOTOQJQBSA-N 2 1 348.495 1.253 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)nn1 ZINC000999400379 706895005 /nfs/dbraw/zinc/89/50/05/706895005.db2.gz KUCBYKOXDBYHEE-DOTOQJQBSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)on1 ZINC000999402924 706911481 /nfs/dbraw/zinc/91/14/81/706911481.db2.gz LLPXMJIOKYKQBT-UHFFFAOYSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999407538 706917451 /nfs/dbraw/zinc/91/74/51/706917451.db2.gz WWPLBIFJYRFOQY-GTPINHCMSA-N 2 1 330.476 1.953 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC000999407922 706917612 /nfs/dbraw/zinc/91/76/12/706917612.db2.gz XZMYBDOUIMAOJS-NFOMZHRRSA-N 2 1 349.479 1.585 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC000999407922 706917614 /nfs/dbraw/zinc/91/76/14/706917614.db2.gz XZMYBDOUIMAOJS-NFOMZHRRSA-N 2 1 349.479 1.585 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999410585 706920151 /nfs/dbraw/zinc/92/01/51/706920151.db2.gz ZDFXZEDZPFZUBY-UHFFFAOYSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H](C)[NH+]3CCCCCC3)C2)n1 ZINC000999502800 707000312 /nfs/dbraw/zinc/00/03/12/707000312.db2.gz MZXFVOZCCHWCQR-JEYLPNPQSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC000999507838 707005480 /nfs/dbraw/zinc/00/54/80/707005480.db2.gz BXQGOXFMLBFGPR-UHFFFAOYSA-N 2 1 334.464 1.794 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC3=CCCCC3)C2)O1 ZINC000999493370 707029884 /nfs/dbraw/zinc/02/98/84/707029884.db2.gz FDGPRMKUTOHHMD-KBAYOESNSA-N 2 1 335.492 1.787 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC3=CCCCC3)C2)O1 ZINC000999493370 707029886 /nfs/dbraw/zinc/02/98/86/707029886.db2.gz FDGPRMKUTOHHMD-KBAYOESNSA-N 2 1 335.492 1.787 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000999596912 707099997 /nfs/dbraw/zinc/09/99/97/707099997.db2.gz AZYHGVDREOPMMV-UHFFFAOYSA-N 2 1 335.452 1.189 20 0 EDADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)c1nncn1C ZINC000999599230 707101883 /nfs/dbraw/zinc/10/18/83/707101883.db2.gz XQRZLLCEOBEIQS-GJZGRUSLSA-N 2 1 346.479 1.085 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3cnn(C)n3)C2)CC1 ZINC000999629696 707154683 /nfs/dbraw/zinc/15/46/83/707154683.db2.gz PSPRTUCZWPHREX-UHFFFAOYSA-N 2 1 348.495 1.015 20 0 EDADMP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000999689312 707245011 /nfs/dbraw/zinc/24/50/11/707245011.db2.gz RLHHAGPVHNMEJO-ZLPCBKJTSA-N 2 1 347.507 1.366 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000999689827 707245798 /nfs/dbraw/zinc/24/57/98/707245798.db2.gz RYZNOPOMXVDNTC-IYXRBSQSSA-N 2 1 335.452 1.053 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999689827 707245801 /nfs/dbraw/zinc/24/58/01/707245801.db2.gz RYZNOPOMXVDNTC-IYXRBSQSSA-N 2 1 335.452 1.053 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnccc2C)C1 ZINC000999713657 707251612 /nfs/dbraw/zinc/25/16/12/707251612.db2.gz LZXRRGRXRFUJBJ-QGZVFWFLSA-N 2 1 327.432 1.676 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC000999723218 707263533 /nfs/dbraw/zinc/26/35/33/707263533.db2.gz DQMPZCIQBGOOOT-KRWDZBQOSA-N 2 1 344.463 1.286 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000999705743 707296100 /nfs/dbraw/zinc/29/61/00/707296100.db2.gz GFPFGGYKZKZGRT-XGNXJENSSA-N 2 1 349.504 1.582 20 0 EDADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001033274474 707352773 /nfs/dbraw/zinc/35/27/73/707352773.db2.gz YYDYSSNIJADKSH-MAUKXSAKSA-N 2 1 342.443 1.907 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ncc(Cl)s2)C1 ZINC000999828046 707456469 /nfs/dbraw/zinc/45/64/69/707456469.db2.gz BGDFJBOSKUOIMO-UNXYVOJBSA-N 2 1 342.896 1.827 20 0 EDADMP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)c1 ZINC001032730787 707730540 /nfs/dbraw/zinc/73/05/40/707730540.db2.gz QAVRRTSUZZKWQD-SQNIBIBYSA-N 2 1 343.471 1.822 20 0 EDADMP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)c1 ZINC001032730787 707730543 /nfs/dbraw/zinc/73/05/43/707730543.db2.gz QAVRRTSUZZKWQD-SQNIBIBYSA-N 2 1 343.471 1.822 20 0 EDADMP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001032730787 707730545 /nfs/dbraw/zinc/73/05/45/707730545.db2.gz QAVRRTSUZZKWQD-SQNIBIBYSA-N 2 1 343.471 1.822 20 0 EDADMP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001032730787 707730547 /nfs/dbraw/zinc/73/05/47/707730547.db2.gz QAVRRTSUZZKWQD-SQNIBIBYSA-N 2 1 343.471 1.822 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(CO)cc2)C1 ZINC001032731685 707733822 /nfs/dbraw/zinc/73/38/22/707733822.db2.gz OSXDQBQBXTZITP-FHWLQOOXSA-N 2 1 343.471 1.306 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(CO)cc2)C1 ZINC001032731685 707733827 /nfs/dbraw/zinc/73/38/27/707733827.db2.gz OSXDQBQBXTZITP-FHWLQOOXSA-N 2 1 343.471 1.306 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(CO)cc2)C1 ZINC001032731685 707733834 /nfs/dbraw/zinc/73/38/34/707733834.db2.gz OSXDQBQBXTZITP-FHWLQOOXSA-N 2 1 343.471 1.306 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(CO)cc2)C1 ZINC001032731685 707733839 /nfs/dbraw/zinc/73/38/39/707733839.db2.gz OSXDQBQBXTZITP-FHWLQOOXSA-N 2 1 343.471 1.306 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1)C1CCC1 ZINC001033396103 707734798 /nfs/dbraw/zinc/73/47/98/707734798.db2.gz LSZAKDGDPKWECW-MSOLQXFVSA-N 2 1 337.508 1.676 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033390356 707764234 /nfs/dbraw/zinc/76/42/34/707764234.db2.gz JSRKDTLWIKAHGM-LJQANCHMSA-N 2 1 345.487 1.553 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC001000185149 707823796 /nfs/dbraw/zinc/82/37/96/707823796.db2.gz PLQWTWVSCMWYLY-RDJZCZTQSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1cnc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001004990321 707851507 /nfs/dbraw/zinc/85/15/07/707851507.db2.gz HUVMTQHTFUKCGM-HZPDHXFCSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001061607165 707873200 /nfs/dbraw/zinc/87/32/00/707873200.db2.gz DIMRJLOAKWQXKC-IAGOWNOFSA-N 2 1 345.491 1.910 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001061607165 707873203 /nfs/dbraw/zinc/87/32/03/707873203.db2.gz DIMRJLOAKWQXKC-IAGOWNOFSA-N 2 1 345.491 1.910 20 0 EDADMP Cc1conc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004994886 707881446 /nfs/dbraw/zinc/88/14/46/707881446.db2.gz WUWOFSUIFOVIRG-WBVHZDCISA-N 2 1 334.464 1.938 20 0 EDADMP O=C(NCC1=CC[N@@H+](CCOC2CCC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001000707552 708062583 /nfs/dbraw/zinc/06/25/83/708062583.db2.gz HDZQKNUJYFFOPJ-IBGZPJMESA-N 2 1 347.503 1.646 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001144941 708106827 /nfs/dbraw/zinc/10/68/27/708106827.db2.gz RWNNIBXFPXGJMT-WMLDXEAASA-N 2 1 346.475 1.537 20 0 EDADMP CO[C@@H](C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001144941 708106830 /nfs/dbraw/zinc/10/68/30/708106830.db2.gz RWNNIBXFPXGJMT-WMLDXEAASA-N 2 1 346.475 1.537 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001005182601 708128979 /nfs/dbraw/zinc/12/89/79/708128979.db2.gz DRGQBCQZAYRDSI-RTBURBONSA-N 2 1 345.487 1.737 20 0 EDADMP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033545964 708208927 /nfs/dbraw/zinc/20/89/27/708208927.db2.gz SDLWDUDTVGFDON-WMLDXEAASA-N 2 1 343.431 1.449 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033545964 708208929 /nfs/dbraw/zinc/20/89/29/708208929.db2.gz SDLWDUDTVGFDON-WMLDXEAASA-N 2 1 343.431 1.449 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)ncn1 ZINC001033582738 708266346 /nfs/dbraw/zinc/26/63/46/708266346.db2.gz QFOUSPKMXAGRHZ-RDJZCZTQSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)ncn1 ZINC001033582738 708266349 /nfs/dbraw/zinc/26/63/49/708266349.db2.gz QFOUSPKMXAGRHZ-RDJZCZTQSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001033582738 708266353 /nfs/dbraw/zinc/26/63/53/708266353.db2.gz QFOUSPKMXAGRHZ-RDJZCZTQSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001033582738 708266356 /nfs/dbraw/zinc/26/63/56/708266356.db2.gz QFOUSPKMXAGRHZ-RDJZCZTQSA-N 2 1 331.464 1.160 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033585221 708312530 /nfs/dbraw/zinc/31/25/30/708312530.db2.gz GNBJZQBRTANFGX-HNNXBMFYSA-N 2 1 346.475 1.863 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033585221 708312535 /nfs/dbraw/zinc/31/25/35/708312535.db2.gz GNBJZQBRTANFGX-HNNXBMFYSA-N 2 1 346.475 1.863 20 0 EDADMP Cc1cc(CN2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1C ZINC001001835482 708339881 /nfs/dbraw/zinc/33/98/81/708339881.db2.gz WXPOJPVWCXCJEN-KBXCAEBGSA-N 2 1 347.507 1.254 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1C ZINC001001835482 708339885 /nfs/dbraw/zinc/33/98/85/708339885.db2.gz WXPOJPVWCXCJEN-KBXCAEBGSA-N 2 1 347.507 1.254 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1C ZINC001001835482 708339889 /nfs/dbraw/zinc/33/98/89/708339889.db2.gz WXPOJPVWCXCJEN-KBXCAEBGSA-N 2 1 347.507 1.254 20 0 EDADMP Cc1ccncc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001831894 708357597 /nfs/dbraw/zinc/35/75/97/708357597.db2.gz BFXZTJUHYBTEMO-VQIMIIECSA-N 2 1 344.503 1.916 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1CC[NH+](CCCF)CC1)C2 ZINC001001834164 708360905 /nfs/dbraw/zinc/36/09/05/708360905.db2.gz OSQJAOAQHWSZEW-MRXNPFEDSA-N 2 1 336.455 1.942 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001001973879 708489220 /nfs/dbraw/zinc/48/92/20/708489220.db2.gz MEKWGGNKMVMIJX-CQSZACIVSA-N 2 1 343.431 1.090 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000921884312 708787385 /nfs/dbraw/zinc/78/73/85/708787385.db2.gz UCCHPTGBACCZGS-ZWKOTPCHSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000921884312 708787387 /nfs/dbraw/zinc/78/73/87/708787387.db2.gz UCCHPTGBACCZGS-ZWKOTPCHSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000921884312 708787388 /nfs/dbraw/zinc/78/73/88/708787388.db2.gz UCCHPTGBACCZGS-ZWKOTPCHSA-N 2 1 346.475 1.147 20 0 EDADMP CC[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005385135 708825596 /nfs/dbraw/zinc/82/55/96/708825596.db2.gz POHCGDMCZJVHKN-HOTGVXAUSA-N 2 1 338.496 1.046 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033831465 708853984 /nfs/dbraw/zinc/85/39/84/708853984.db2.gz WLBOOAXKYXDSBW-OALUTQOASA-N 2 1 342.487 1.846 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033896197 709014119 /nfs/dbraw/zinc/01/41/19/709014119.db2.gz CILGYOLAHPMOLX-QAPCUYQASA-N 2 1 342.443 1.907 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033932505 709090546 /nfs/dbraw/zinc/09/05/46/709090546.db2.gz PJPKSXRPJQZVDQ-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033932505 709090547 /nfs/dbraw/zinc/09/05/47/709090547.db2.gz PJPKSXRPJQZVDQ-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033932505 709090548 /nfs/dbraw/zinc/09/05/48/709090548.db2.gz PJPKSXRPJQZVDQ-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033932505 709090549 /nfs/dbraw/zinc/09/05/49/709090549.db2.gz PJPKSXRPJQZVDQ-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001032826489 709108709 /nfs/dbraw/zinc/10/87/09/709108709.db2.gz JCFOPSSRZBVNDH-GBESFXJTSA-N 2 1 343.471 1.252 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001034015012 709231120 /nfs/dbraw/zinc/23/11/20/709231120.db2.gz DSBNJYKEDRXKRX-ZWKOTPCHSA-N 2 1 349.519 1.964 20 0 EDADMP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005498543 709259086 /nfs/dbraw/zinc/25/90/86/709259086.db2.gz UETXOOLXCGMUBY-DOTOQJQBSA-N 2 1 346.475 1.720 20 0 EDADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034044433 709296622 /nfs/dbraw/zinc/29/66/22/709296622.db2.gz BABVXDGDAPLWJQ-CRAIPNDOSA-N 2 1 333.476 1.665 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001002791411 709399254 /nfs/dbraw/zinc/39/92/54/709399254.db2.gz IDTXHBWYRUWNOS-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1ncccc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001034148219 709418955 /nfs/dbraw/zinc/41/89/55/709418955.db2.gz GSZYEYVHDZLOTB-QZTJIDSGSA-N 2 1 346.475 1.191 20 0 EDADMP Cc1ncccc1CN1CCCC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001034148219 709418957 /nfs/dbraw/zinc/41/89/57/709418957.db2.gz GSZYEYVHDZLOTB-QZTJIDSGSA-N 2 1 346.475 1.191 20 0 EDADMP Cc1nc([C@H](C)N2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)n[nH]1 ZINC001002832129 709443177 /nfs/dbraw/zinc/44/31/77/709443177.db2.gz KCSAFEULKKEHTI-LRDDRELGSA-N 2 1 346.479 1.097 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cn1 ZINC001002828543 709445794 /nfs/dbraw/zinc/44/57/94/709445794.db2.gz GUWLOKIDMXFSGQ-SFHVURJKSA-N 2 1 343.475 1.207 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002852622 709462856 /nfs/dbraw/zinc/46/28/56/709462856.db2.gz RGCIGOJUOSVPOO-IIAWOOMASA-N 2 1 331.464 1.458 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002852622 709462857 /nfs/dbraw/zinc/46/28/57/709462857.db2.gz RGCIGOJUOSVPOO-IIAWOOMASA-N 2 1 331.464 1.458 20 0 EDADMP Cc1oncc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034209751 709559215 /nfs/dbraw/zinc/55/92/15/709559215.db2.gz DGRYAKYPWYHALN-ROUUACIJSA-N 2 1 346.475 1.796 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](C[C@@H]2CCOC2)C1)C12CCC[NH+](CCC1)C2 ZINC001034258067 709643167 /nfs/dbraw/zinc/64/31/67/709643167.db2.gz QMNDIEGVNQJBBC-ZWKOTPCHSA-N 2 1 349.519 1.870 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001002953777 709653700 /nfs/dbraw/zinc/65/37/00/709653700.db2.gz CKTOFBWDHGRFPJ-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001002954613 709655060 /nfs/dbraw/zinc/65/50/60/709655060.db2.gz GFMZEZQHGWRNFD-GOSISDBHSA-N 2 1 347.507 1.418 20 0 EDADMP CN(C)C(=O)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034308866 709749137 /nfs/dbraw/zinc/74/91/37/709749137.db2.gz GSXZNZQCEZWEDD-HNNXBMFYSA-N 2 1 343.431 1.007 20 0 EDADMP CN(C)C(=O)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034308866 709749139 /nfs/dbraw/zinc/74/91/39/709749139.db2.gz GSXZNZQCEZWEDD-HNNXBMFYSA-N 2 1 343.431 1.007 20 0 EDADMP C[NH+](C)CCc1ccccc1C(=O)N[C@H]1CCCC[N@@H+](CCO)C1 ZINC001034330266 709784663 /nfs/dbraw/zinc/78/46/63/709784663.db2.gz LSLQVNAMMVROCV-KRWDZBQOSA-N 2 1 333.476 1.367 20 0 EDADMP C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034331568 709786428 /nfs/dbraw/zinc/78/64/28/709786428.db2.gz TVKZFILRVKZJTD-FUHWJXTLSA-N 2 1 347.503 1.756 20 0 EDADMP CC(C)(C(=O)N[C@H]1CCCC[N@@H+](CCn2cccn2)C1)[NH+]1CCCC1 ZINC001034340837 709806546 /nfs/dbraw/zinc/80/65/46/709806546.db2.gz WFRSHUOGROBURZ-KRWDZBQOSA-N 2 1 347.507 1.728 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCOC)C2)C1 ZINC001034369764 709855462 /nfs/dbraw/zinc/85/54/62/709855462.db2.gz UZKXCUHCRVUFEI-IAGOWNOFSA-N 2 1 325.497 1.726 20 0 EDADMP COCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001034365152 709885743 /nfs/dbraw/zinc/88/57/43/709885743.db2.gz QBQWVOXCSWOIGW-HZPDHXFCSA-N 2 1 334.464 1.371 20 0 EDADMP COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034365152 709885745 /nfs/dbraw/zinc/88/57/45/709885745.db2.gz QBQWVOXCSWOIGW-HZPDHXFCSA-N 2 1 334.464 1.371 20 0 EDADMP COCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034365152 709885752 /nfs/dbraw/zinc/88/57/52/709885752.db2.gz QBQWVOXCSWOIGW-HZPDHXFCSA-N 2 1 334.464 1.371 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCCN(Cc3cncn3C)C2)CC[N@H+]1C ZINC001034365332 709886894 /nfs/dbraw/zinc/88/68/94/709886894.db2.gz ZRVWITFZKQPGPO-ULQDDVLXSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cncn3C)C2)CC[N@@H+]1C ZINC001034365332 709886897 /nfs/dbraw/zinc/88/68/97/709886897.db2.gz ZRVWITFZKQPGPO-ULQDDVLXSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cncn3C)C2)CC[N@H+]1C ZINC001034365332 709886901 /nfs/dbraw/zinc/88/69/01/709886901.db2.gz ZRVWITFZKQPGPO-ULQDDVLXSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cncn3C)C2)CC[NH+]1C ZINC001034365332 709886905 /nfs/dbraw/zinc/88/69/05/709886905.db2.gz ZRVWITFZKQPGPO-ULQDDVLXSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cncn3C)C2)CC[NH+]1C ZINC001034365332 709886908 /nfs/dbraw/zinc/88/69/08/709886908.db2.gz ZRVWITFZKQPGPO-ULQDDVLXSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1oncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034397173 709936334 /nfs/dbraw/zinc/93/63/34/709936334.db2.gz JDQDHHVFLKCYSK-WMLDXEAASA-N 2 1 334.464 1.938 20 0 EDADMP Cc1oncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034397173 709936339 /nfs/dbraw/zinc/93/63/39/709936339.db2.gz JDQDHHVFLKCYSK-WMLDXEAASA-N 2 1 334.464 1.938 20 0 EDADMP Cc1oncc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034397173 709936342 /nfs/dbraw/zinc/93/63/42/709936342.db2.gz JDQDHHVFLKCYSK-WMLDXEAASA-N 2 1 334.464 1.938 20 0 EDADMP Cc1oncc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034397173 709936345 /nfs/dbraw/zinc/93/63/45/709936345.db2.gz JDQDHHVFLKCYSK-WMLDXEAASA-N 2 1 334.464 1.938 20 0 EDADMP COCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034439205 710015592 /nfs/dbraw/zinc/01/55/92/710015592.db2.gz SJLYTKUCLRHIQW-IAGOWNOFSA-N 2 1 325.497 1.866 20 0 EDADMP COCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034439205 710015594 /nfs/dbraw/zinc/01/55/94/710015594.db2.gz SJLYTKUCLRHIQW-IAGOWNOFSA-N 2 1 325.497 1.866 20 0 EDADMP COCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034439205 710015598 /nfs/dbraw/zinc/01/55/98/710015598.db2.gz SJLYTKUCLRHIQW-IAGOWNOFSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468681 710040339 /nfs/dbraw/zinc/04/03/39/710040339.db2.gz SMTRZOCMMIDUIF-HOCLYGCPSA-N 2 1 343.431 1.232 20 0 EDADMP C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468681 710040342 /nfs/dbraw/zinc/04/03/42/710040342.db2.gz SMTRZOCMMIDUIF-HOCLYGCPSA-N 2 1 343.431 1.232 20 0 EDADMP O=C(N[C@@H]1CCCC[N@H+](Cc2cncs2)C1)C12CC[NH+](CC1)C2 ZINC001034491757 710112188 /nfs/dbraw/zinc/11/21/88/710112188.db2.gz WNRBKRONDFWTJL-CQSZACIVSA-N 2 1 334.489 1.710 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](Cc2cncs2)C1)C12CC[NH+](CC1)C2 ZINC001034491757 710112191 /nfs/dbraw/zinc/11/21/91/710112191.db2.gz WNRBKRONDFWTJL-CQSZACIVSA-N 2 1 334.489 1.710 20 0 EDADMP Cn1cncc1C[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034486957 710133648 /nfs/dbraw/zinc/13/36/48/710133648.db2.gz DBOIWJJFKBUTPC-HZPDHXFCSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1cncc1C[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034486957 710133651 /nfs/dbraw/zinc/13/36/51/710133651.db2.gz DBOIWJJFKBUTPC-HZPDHXFCSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1cncc1C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034486957 710133653 /nfs/dbraw/zinc/13/36/53/710133653.db2.gz DBOIWJJFKBUTPC-HZPDHXFCSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1cncc1C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034486957 710133656 /nfs/dbraw/zinc/13/36/56/710133656.db2.gz DBOIWJJFKBUTPC-HZPDHXFCSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001034524942 710174977 /nfs/dbraw/zinc/17/49/77/710174977.db2.gz JDZQSCYEHVBGRY-HOTGVXAUSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001034524942 710174978 /nfs/dbraw/zinc/17/49/78/710174978.db2.gz JDZQSCYEHVBGRY-HOTGVXAUSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)ncn1 ZINC001034524942 710174979 /nfs/dbraw/zinc/17/49/79/710174979.db2.gz JDZQSCYEHVBGRY-HOTGVXAUSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)ncn1 ZINC001034524942 710174980 /nfs/dbraw/zinc/17/49/80/710174980.db2.gz JDZQSCYEHVBGRY-HOTGVXAUSA-N 2 1 331.464 1.207 20 0 EDADMP COc1cccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034525419 710175337 /nfs/dbraw/zinc/17/53/37/710175337.db2.gz MHWXWSTUXYWCMK-WBVHZDCISA-N 2 1 346.475 1.513 20 0 EDADMP COc1cccc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034525419 710175340 /nfs/dbraw/zinc/17/53/40/710175340.db2.gz MHWXWSTUXYWCMK-WBVHZDCISA-N 2 1 346.475 1.513 20 0 EDADMP COc1cccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525419 710175344 /nfs/dbraw/zinc/17/53/44/710175344.db2.gz MHWXWSTUXYWCMK-WBVHZDCISA-N 2 1 346.475 1.513 20 0 EDADMP COc1cccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525419 710175345 /nfs/dbraw/zinc/17/53/45/710175345.db2.gz MHWXWSTUXYWCMK-WBVHZDCISA-N 2 1 346.475 1.513 20 0 EDADMP CCc1onc(C)c1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034526186 710177549 /nfs/dbraw/zinc/17/75/49/710177549.db2.gz VNWQPCORRRAIQJ-HOTGVXAUSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1onc(C)c1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034526186 710177552 /nfs/dbraw/zinc/17/75/52/710177552.db2.gz VNWQPCORRRAIQJ-HOTGVXAUSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1onc(C)c1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034526186 710177553 /nfs/dbraw/zinc/17/75/53/710177553.db2.gz VNWQPCORRRAIQJ-HOTGVXAUSA-N 2 1 348.491 1.968 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CCOCC3)C2)C1 ZINC001034526486 710178255 /nfs/dbraw/zinc/17/82/55/710178255.db2.gz YPLKWXNZSLNIST-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCC3CCOCC3)C2)C1 ZINC001034526486 710178257 /nfs/dbraw/zinc/17/82/57/710178257.db2.gz YPLKWXNZSLNIST-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC3CCOCC3)C2)C1 ZINC001034526486 710178260 /nfs/dbraw/zinc/17/82/60/710178260.db2.gz YPLKWXNZSLNIST-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP COc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)on1 ZINC001034526606 710179105 /nfs/dbraw/zinc/17/91/05/710179105.db2.gz ZQNCQEVMRNNXBL-KGLIPLIRSA-N 2 1 336.436 1.106 20 0 EDADMP COc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)on1 ZINC001034526606 710179106 /nfs/dbraw/zinc/17/91/06/710179106.db2.gz ZQNCQEVMRNNXBL-KGLIPLIRSA-N 2 1 336.436 1.106 20 0 EDADMP COc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC001034526606 710179107 /nfs/dbraw/zinc/17/91/07/710179107.db2.gz ZQNCQEVMRNNXBL-KGLIPLIRSA-N 2 1 336.436 1.106 20 0 EDADMP COc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001034526606 710179108 /nfs/dbraw/zinc/17/91/08/710179108.db2.gz ZQNCQEVMRNNXBL-KGLIPLIRSA-N 2 1 336.436 1.106 20 0 EDADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001034529303 710183919 /nfs/dbraw/zinc/18/39/19/710183919.db2.gz YGKCYDILBGPXTK-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001034529759 710185587 /nfs/dbraw/zinc/18/55/87/710185587.db2.gz MSKYPYMZYLCLNF-SJORKVTESA-N 2 1 334.464 1.589 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001034529759 710185589 /nfs/dbraw/zinc/18/55/89/710185589.db2.gz MSKYPYMZYLCLNF-SJORKVTESA-N 2 1 334.464 1.589 20 0 EDADMP CC(C)(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003334530 710258471 /nfs/dbraw/zinc/25/84/71/710258471.db2.gz WOSVUQOWXDIKKN-CMVHYPBASA-N 2 1 349.519 1.866 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001034610801 710284816 /nfs/dbraw/zinc/28/48/16/710284816.db2.gz FHYOZPOXHNAQMU-BFYDXBDKSA-N 2 1 334.464 1.848 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCC3)CC2)C1 ZINC001034616924 710292402 /nfs/dbraw/zinc/29/24/02/710292402.db2.gz GBBKQVDDAIFWAQ-BZSNNMDCSA-N 2 1 337.508 1.914 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCC3)CC2)C1 ZINC001034616924 710292404 /nfs/dbraw/zinc/29/24/04/710292404.db2.gz GBBKQVDDAIFWAQ-BZSNNMDCSA-N 2 1 337.508 1.914 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001034654535 710329297 /nfs/dbraw/zinc/32/92/97/710329297.db2.gz YGWWQSIXCNMYHS-XSLAGTTESA-N 2 1 335.492 1.667 20 0 EDADMP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001003482677 710376864 /nfs/dbraw/zinc/37/68/64/710376864.db2.gz BZBCOSCVWUMRIX-WBVHZDCISA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001003482677 710376866 /nfs/dbraw/zinc/37/68/66/710376866.db2.gz BZBCOSCVWUMRIX-WBVHZDCISA-N 2 1 325.497 1.722 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003625284 710454349 /nfs/dbraw/zinc/45/43/49/710454349.db2.gz DWRZAZOKPJBRBR-HNNXBMFYSA-N 2 1 347.507 1.422 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)cn1 ZINC001003628565 710458614 /nfs/dbraw/zinc/45/86/14/710458614.db2.gz RLFWJVNRYNUALE-AWEZNQCLSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)cn1 ZINC001003628565 710458617 /nfs/dbraw/zinc/45/86/17/710458617.db2.gz RLFWJVNRYNUALE-AWEZNQCLSA-N 2 1 331.464 1.350 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](C[C@H]3C[C@@]34CCOC4)CC2)C1 ZINC001003631212 710460330 /nfs/dbraw/zinc/46/03/30/710460330.db2.gz UKNHGBKEFYJAHY-OXQOHEQNSA-N 2 1 349.519 1.726 20 0 EDADMP O=C(NC1CC[NH+](CCCF)CC1)c1cc(C[NH+]2CCCC2)on1 ZINC001003639614 710468126 /nfs/dbraw/zinc/46/81/26/710468126.db2.gz SLQZDTLKCQIXIG-UHFFFAOYSA-N 2 1 338.427 1.824 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1)c1nncn1C ZINC001034673924 710613697 /nfs/dbraw/zinc/61/36/97/710613697.db2.gz HDZVNOKQRBWGRN-FPCVCCKLSA-N 2 1 348.495 1.377 20 0 EDADMP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001005592493 710639237 /nfs/dbraw/zinc/63/92/37/710639237.db2.gz NUSASPUJWXZNIG-KRWDZBQOSA-N 2 1 334.464 1.890 20 0 EDADMP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC001005592493 710639240 /nfs/dbraw/zinc/63/92/40/710639240.db2.gz NUSASPUJWXZNIG-KRWDZBQOSA-N 2 1 334.464 1.890 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034735624 710921050 /nfs/dbraw/zinc/92/10/50/710921050.db2.gz JMLCELOBMINFLX-ULQDDVLXSA-N 2 1 333.480 1.384 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001034736578 710924306 /nfs/dbraw/zinc/92/43/06/710924306.db2.gz XDTXZGLATLEKIN-BZUAXINKSA-N 2 1 348.495 1.299 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC001034737564 710950294 /nfs/dbraw/zinc/95/02/94/710950294.db2.gz MPEUNPMMVVXIIM-RRCSTGOVSA-N 2 1 349.479 1.940 20 0 EDADMP Cc1noc([C@@H](C)N2CCC(N(C)C(=O)Cn3c[nH+]cc3C)CC2)n1 ZINC001005712158 711094791 /nfs/dbraw/zinc/09/47/91/711094791.db2.gz AEKUSZCAFFRNDP-CYBMUJFWSA-N 2 1 346.435 1.567 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001034795220 711112899 /nfs/dbraw/zinc/11/28/99/711112899.db2.gz WTBDLPOYXIKBQX-HDJSIYSDSA-N 2 1 333.461 1.865 20 0 EDADMP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1)C(N)=O ZINC001034795939 711115707 /nfs/dbraw/zinc/11/57/07/711115707.db2.gz YSPITEHSZQMYDB-YHUYYLMFSA-N 2 1 338.496 1.142 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC001034792431 711119295 /nfs/dbraw/zinc/11/92/95/711119295.db2.gz JPOODKXODSIPLX-QKPAOTATSA-N 2 1 331.464 1.506 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001034792415 711119627 /nfs/dbraw/zinc/11/96/27/711119627.db2.gz JCZNWPLXHRTVEQ-LXTVHRRPSA-N 2 1 349.479 1.662 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2C)CC1 ZINC001034796581 711128637 /nfs/dbraw/zinc/12/86/37/711128637.db2.gz JSSQMDTXRDCSQX-LDKKBFSKSA-N 2 1 348.495 1.205 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC001003973970 711130948 /nfs/dbraw/zinc/13/09/48/711130948.db2.gz DNTWRSDECFRNQQ-AWEZNQCLSA-N 2 1 332.448 1.720 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003968641 711140622 /nfs/dbraw/zinc/14/06/22/711140622.db2.gz SIXHGKSAXXFQSP-DOTOQJQBSA-N 2 1 347.507 1.621 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnns2)cc1 ZINC001034810769 711172227 /nfs/dbraw/zinc/17/22/27/711172227.db2.gz KVEDOEKEIHDOIQ-INIZCTEOSA-N 2 1 345.472 1.538 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnns2)cc1 ZINC001034810769 711172230 /nfs/dbraw/zinc/17/22/30/711172230.db2.gz KVEDOEKEIHDOIQ-INIZCTEOSA-N 2 1 345.472 1.538 20 0 EDADMP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC001034823624 711225250 /nfs/dbraw/zinc/22/52/50/711225250.db2.gz XGRPMCKNKPPNMV-GOSISDBHSA-N 2 1 333.476 1.910 20 0 EDADMP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740701 711274982 /nfs/dbraw/zinc/27/49/82/711274982.db2.gz FYQNATJQKSSEIH-KGXSXCIVSA-N 2 1 349.519 1.819 20 0 EDADMP COc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001034882563 711283658 /nfs/dbraw/zinc/28/36/58/711283658.db2.gz BCSCRIWQIUNSPR-CVEARBPZSA-N 2 1 332.448 1.265 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CO)cc1 ZINC001034884853 711289001 /nfs/dbraw/zinc/28/90/01/711289001.db2.gz MGZWFDCTBRMNPB-QZTJIDSGSA-N 2 1 331.460 1.354 20 0 EDADMP Cc1ncoc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001034935975 711364439 /nfs/dbraw/zinc/36/44/39/711364439.db2.gz FRGSKVKITLCLPV-CVEARBPZSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1nonc1C[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001034937498 711438455 /nfs/dbraw/zinc/43/84/55/711438455.db2.gz SWYIZEGCJLYTFN-OAHLLOKOSA-N 2 1 349.479 1.723 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnn(CCF)c3)C2)[C@@H]1C(C)C ZINC000922392091 711457473 /nfs/dbraw/zinc/45/74/73/711457473.db2.gz CTTXQWXQABYYNN-BDXSIMOUSA-N 2 1 338.471 1.812 20 0 EDADMP Cc1nnc([C@H](C)N2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001004146617 711557240 /nfs/dbraw/zinc/55/72/40/711557240.db2.gz YVPGZOPCMYMRPN-AAEUAGOBSA-N 2 1 337.493 1.440 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC001004178849 711633483 /nfs/dbraw/zinc/63/34/83/711633483.db2.gz KWXJUDPVKIDPJJ-KRWDZBQOSA-N 2 1 337.508 1.724 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC001004178849 711633486 /nfs/dbraw/zinc/63/34/86/711633486.db2.gz KWXJUDPVKIDPJJ-KRWDZBQOSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@@H]2CCC[N@H+]2C[C@@H](C)O)CC1 ZINC001004485316 711864711 /nfs/dbraw/zinc/86/47/11/711864711.db2.gz PSLVLJHDTVGJHJ-WBVHZDCISA-N 2 1 334.464 1.275 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2C[C@@H](C)O)CC1 ZINC001004485316 711864713 /nfs/dbraw/zinc/86/47/13/711864713.db2.gz PSLVLJHDTVGJHJ-WBVHZDCISA-N 2 1 334.464 1.275 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnoc2C)C1 ZINC001033126904 711891424 /nfs/dbraw/zinc/89/14/24/711891424.db2.gz PNDRTBHVPGXDRU-IRXDYDNUSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnoc2C)C1 ZINC001033126904 711891425 /nfs/dbraw/zinc/89/14/25/711891425.db2.gz PNDRTBHVPGXDRU-IRXDYDNUSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001033126904 711891426 /nfs/dbraw/zinc/89/14/26/711891426.db2.gz PNDRTBHVPGXDRU-IRXDYDNUSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001033126904 711891427 /nfs/dbraw/zinc/89/14/27/711891427.db2.gz PNDRTBHVPGXDRU-IRXDYDNUSA-N 2 1 334.464 1.890 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004520753 711919869 /nfs/dbraw/zinc/91/98/69/711919869.db2.gz JAGSKCNEFTVVNF-KRWDZBQOSA-N 2 1 349.475 1.650 20 0 EDADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946623159 711921640 /nfs/dbraw/zinc/92/16/40/711921640.db2.gz FHNNGYDLIFEXAK-ZIFCJYIRSA-N 2 1 349.519 1.556 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946623159 711921642 /nfs/dbraw/zinc/92/16/42/711921642.db2.gz FHNNGYDLIFEXAK-ZIFCJYIRSA-N 2 1 349.519 1.556 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946623159 711921644 /nfs/dbraw/zinc/92/16/44/711921644.db2.gz FHNNGYDLIFEXAK-ZIFCJYIRSA-N 2 1 349.519 1.556 20 0 EDADMP CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033140855 711940667 /nfs/dbraw/zinc/94/06/67/711940667.db2.gz JXCWYTGDOHCWQY-MSOLQXFVSA-N 2 1 337.508 1.963 20 0 EDADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033140855 711940670 /nfs/dbraw/zinc/94/06/70/711940670.db2.gz JXCWYTGDOHCWQY-MSOLQXFVSA-N 2 1 337.508 1.963 20 0 EDADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033140855 711940673 /nfs/dbraw/zinc/94/06/73/711940673.db2.gz JXCWYTGDOHCWQY-MSOLQXFVSA-N 2 1 337.508 1.963 20 0 EDADMP CO[C@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004615890 712075604 /nfs/dbraw/zinc/07/56/04/712075604.db2.gz IVDUSMSHUMFEKR-AEFFLSMTSA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248040610 282142149 /nfs/dbraw/zinc/14/21/49/282142149.db2.gz LXUPWAQYZRADNY-SOLBZPMBSA-N 2 1 334.464 1.044 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000174016214 231099637 /nfs/dbraw/zinc/09/96/37/231099637.db2.gz BILFVFJGKJKYGS-GOSISDBHSA-N 2 1 331.460 1.406 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000174016214 231099640 /nfs/dbraw/zinc/09/96/40/231099640.db2.gz BILFVFJGKJKYGS-GOSISDBHSA-N 2 1 331.460 1.406 20 0 EDADMP C[C@H](C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[NH+]1CCSCC1 ZINC000432573688 305094088 /nfs/dbraw/zinc/09/40/88/305094088.db2.gz LUQRYCUUHQGAJI-LSDHHAIUSA-N 2 1 329.510 1.041 20 0 EDADMP C[C@H](C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[NH+]1CCSCC1 ZINC000432573688 305094089 /nfs/dbraw/zinc/09/40/89/305094089.db2.gz LUQRYCUUHQGAJI-LSDHHAIUSA-N 2 1 329.510 1.041 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000353684735 282241238 /nfs/dbraw/zinc/24/12/38/282241238.db2.gz BTFTYIQDSLOFND-QYZOEREBSA-N 2 1 344.503 1.895 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000173746509 282250832 /nfs/dbraw/zinc/25/08/32/282250832.db2.gz BWGWCJURRIWXOW-DOTOQJQBSA-N 2 1 325.497 1.534 20 0 EDADMP CC(C)[N@H+](C)CCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000101984501 219178670 /nfs/dbraw/zinc/17/86/70/219178670.db2.gz YFMGMEDBRPKYMQ-UHFFFAOYSA-N 2 1 348.491 1.658 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000101984501 219178672 /nfs/dbraw/zinc/17/86/72/219178672.db2.gz YFMGMEDBRPKYMQ-UHFFFAOYSA-N 2 1 348.491 1.658 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000102061519 219184226 /nfs/dbraw/zinc/18/42/26/219184226.db2.gz AEDVNNDWFYFAPE-UHFFFAOYSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000067002506 215102390 /nfs/dbraw/zinc/10/23/90/215102390.db2.gz ILNXNIZZZMSESO-UHFFFAOYSA-N 2 1 347.507 1.450 20 0 EDADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154256827 539573069 /nfs/dbraw/zinc/57/30/69/539573069.db2.gz NHIAVOLPZPXXCS-BXUZGUMPSA-N 2 1 347.381 1.935 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339077055 539699381 /nfs/dbraw/zinc/69/93/81/539699381.db2.gz YTICPJAPNNIZSP-IMJJTQAJSA-N 2 1 337.489 1.872 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339077055 539699384 /nfs/dbraw/zinc/69/93/84/539699384.db2.gz YTICPJAPNNIZSP-IMJJTQAJSA-N 2 1 337.489 1.872 20 0 EDADMP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H](C)C1 ZINC000561763954 306290936 /nfs/dbraw/zinc/29/09/36/306290936.db2.gz AXTDVDCOXWCSHO-HDMKZQKVSA-N 2 1 330.476 1.951 20 0 EDADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H](C)C1 ZINC000561763954 306290937 /nfs/dbraw/zinc/29/09/37/306290937.db2.gz AXTDVDCOXWCSHO-HDMKZQKVSA-N 2 1 330.476 1.951 20 0 EDADMP CCOC(=O)C1CCC([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442891337 305230370 /nfs/dbraw/zinc/23/03/70/305230370.db2.gz RBBFXQJCDHHLSV-UHFFFAOYSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000562807382 306309800 /nfs/dbraw/zinc/30/98/00/306309800.db2.gz LFUTXQCZKNJIRO-GVDBMIGSSA-N 2 1 338.496 1.271 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000412850982 304041885 /nfs/dbraw/zinc/04/18/85/304041885.db2.gz VHZYNHUOTIOUDW-GOSISDBHSA-N 2 1 344.503 1.799 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cncc(Br)c2)CC1 ZINC000183700931 540139914 /nfs/dbraw/zinc/13/99/14/540139914.db2.gz PFLZXPLWUPUJCN-UHFFFAOYSA-N 2 1 341.297 1.961 20 0 EDADMP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]cc1C(N)=O ZINC000186165667 540150565 /nfs/dbraw/zinc/15/05/65/540150565.db2.gz XFEOKPPODKBRMB-IBGZPJMESA-N 2 1 340.427 1.254 20 0 EDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]cc1C(N)=O ZINC000186165667 540150568 /nfs/dbraw/zinc/15/05/68/540150568.db2.gz XFEOKPPODKBRMB-IBGZPJMESA-N 2 1 340.427 1.254 20 0 EDADMP CC(C)[NH+](C)CCNc1cc(NCC[N@H+](C)C(C)C)nc2ncnn21 ZINC000192556473 540179721 /nfs/dbraw/zinc/17/97/21/540179721.db2.gz NFVOBXODMWGWAP-UHFFFAOYSA-N 2 1 348.499 1.629 20 0 EDADMP CC(C)[NH+](C)CCNc1cc(NCC[N@H+](C)C(C)C)n2ncnc2n1 ZINC000192556473 540179725 /nfs/dbraw/zinc/17/97/25/540179725.db2.gz NFVOBXODMWGWAP-UHFFFAOYSA-N 2 1 348.499 1.629 20 0 EDADMP CC(C)[NH+](C)CCNc1cc(NCC[N@@H+](C)C(C)C)n2ncnc2n1 ZINC000192556473 540179727 /nfs/dbraw/zinc/17/97/27/540179727.db2.gz NFVOBXODMWGWAP-UHFFFAOYSA-N 2 1 348.499 1.629 20 0 EDADMP C[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000047885960 540183041 /nfs/dbraw/zinc/18/30/41/540183041.db2.gz KUTNNDJQQHUHLI-UHFFFAOYSA-N 2 1 346.475 1.412 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000373373166 299233855 /nfs/dbraw/zinc/23/38/55/299233855.db2.gz NWJQKDVSDGEBMM-ULQDDVLXSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC[N@@H+]1C ZINC000329020757 291084234 /nfs/dbraw/zinc/08/42/34/291084234.db2.gz LYAHGZUEHAUDGF-FHKFTOANSA-N 2 1 331.464 1.297 20 0 EDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000329020757 291084235 /nfs/dbraw/zinc/08/42/35/291084235.db2.gz LYAHGZUEHAUDGF-FHKFTOANSA-N 2 1 331.464 1.297 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000413054945 304053194 /nfs/dbraw/zinc/05/31/94/304053194.db2.gz RUXMANJZXBAVSO-DOTOQJQBSA-N 2 1 334.464 1.691 20 0 EDADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(CCC(=O)OC)c2C)C1 ZINC000093770309 138294350 /nfs/dbraw/zinc/29/43/50/138294350.db2.gz PSNDHESACUKPCK-INIZCTEOSA-N 2 1 336.480 1.837 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(CCC(=O)OC)c2C)C1 ZINC000093770309 138294351 /nfs/dbraw/zinc/29/43/51/138294351.db2.gz PSNDHESACUKPCK-INIZCTEOSA-N 2 1 336.480 1.837 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(CCC(=O)OC)c2C)C1 ZINC000093770309 138294352 /nfs/dbraw/zinc/29/43/52/138294352.db2.gz PSNDHESACUKPCK-INIZCTEOSA-N 2 1 336.480 1.837 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(CCC(=O)OC)c2C)C1 ZINC000093770309 138294353 /nfs/dbraw/zinc/29/43/53/138294353.db2.gz PSNDHESACUKPCK-INIZCTEOSA-N 2 1 336.480 1.837 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)CCO1 ZINC000124068311 138323485 /nfs/dbraw/zinc/32/34/85/138323485.db2.gz PDSRRPICKASDIF-CRAIPNDOSA-N 2 1 335.492 1.573 20 0 EDADMP COc1cccc([C@H](CNC(=O)[C@@H]2CCn3cncc3C2)N(C)C)c1 ZINC000130460201 138341557 /nfs/dbraw/zinc/34/15/57/138341557.db2.gz JLTQQYRGKSJGMI-QAPCUYQASA-N 2 1 342.443 1.873 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000344586430 283220213 /nfs/dbraw/zinc/22/02/13/283220213.db2.gz UADLDYSPNTXYNW-QGZVFWFLSA-N 2 1 342.528 1.717 20 0 EDADMP CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](CC)CC2)C1(C)C ZINC000133159001 138389329 /nfs/dbraw/zinc/38/93/29/138389329.db2.gz YYVZAMYXDJIAJG-CVEARBPZSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000133481226 138393993 /nfs/dbraw/zinc/39/39/93/138393993.db2.gz YAHMZMGKOBJXKP-RBUKOAKNSA-N 2 1 347.503 1.980 20 0 EDADMP CC(C)C[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000133481226 138393995 /nfs/dbraw/zinc/39/39/95/138393995.db2.gz YAHMZMGKOBJXKP-RBUKOAKNSA-N 2 1 347.503 1.980 20 0 EDADMP COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000563674448 306344715 /nfs/dbraw/zinc/34/47/15/306344715.db2.gz VAQQGLQZIKXBIQ-HOTGVXAUSA-N 2 1 346.475 1.310 20 0 EDADMP COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000563674448 306344716 /nfs/dbraw/zinc/34/47/16/306344716.db2.gz VAQQGLQZIKXBIQ-HOTGVXAUSA-N 2 1 346.475 1.310 20 0 EDADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000186968453 236081271 /nfs/dbraw/zinc/08/12/71/236081271.db2.gz JAVBIJDZJAJJHA-DLBZAZTESA-N 2 1 345.487 1.810 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000186968453 236081272 /nfs/dbraw/zinc/08/12/72/236081272.db2.gz JAVBIJDZJAJJHA-DLBZAZTESA-N 2 1 345.487 1.810 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C[NH+]1CCCC1 ZINC000187630030 236264905 /nfs/dbraw/zinc/26/49/05/236264905.db2.gz ZTECGWAUJFJZMN-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](CC)C2)C[C@@H]1CC ZINC000413829861 304079153 /nfs/dbraw/zinc/07/91/53/304079153.db2.gz FMJQCSJGDVVIAY-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CC)C2)C[C@@H]1CC ZINC000413829861 304079154 /nfs/dbraw/zinc/07/91/54/304079154.db2.gz FMJQCSJGDVVIAY-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC)C2)C[C@@H]1CC ZINC000413829861 304079155 /nfs/dbraw/zinc/07/91/55/304079155.db2.gz FMJQCSJGDVVIAY-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)C1 ZINC000413836909 304079971 /nfs/dbraw/zinc/07/99/71/304079971.db2.gz LYHZJYJAZKVFRE-QGZVFWFLSA-N 2 1 348.491 1.863 20 0 EDADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000333281877 291188371 /nfs/dbraw/zinc/18/83/71/291188371.db2.gz MPZPOFAXXJESQN-MUQADHOPSA-N 2 1 347.507 1.650 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)NCC[N@@H+](C)Cc2ccccc2)n1 ZINC000173948316 237270676 /nfs/dbraw/zinc/27/06/76/237270676.db2.gz WMWPUASYZCYKNA-UHFFFAOYSA-N 2 1 344.463 1.698 20 0 EDADMP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000564949356 306371091 /nfs/dbraw/zinc/37/10/91/306371091.db2.gz HYNBUTOLHRPMCV-SJLPKXTDSA-N 2 1 330.476 1.881 20 0 EDADMP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000564949354 306371133 /nfs/dbraw/zinc/37/11/33/306371133.db2.gz HYNBUTOLHRPMCV-AEFFLSMTSA-N 2 1 330.476 1.881 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccc(C[NH3+])cc2)C[C@@H](C)O1 ZINC000566192731 306402944 /nfs/dbraw/zinc/40/29/44/306402944.db2.gz BPIQBVVXSGOYEZ-HUUCEWRRSA-N 2 1 348.491 1.832 20 0 EDADMP COc1ccc2c(c1OC)CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000414759741 304137953 /nfs/dbraw/zinc/13/79/53/304137953.db2.gz PBNBXSWMQUDMMP-AWEZNQCLSA-N 2 1 347.459 1.259 20 0 EDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271892512 296120444 /nfs/dbraw/zinc/12/04/44/296120444.db2.gz SHTHFYUSOLFKMV-CQSZACIVSA-N 2 1 337.489 1.849 20 0 EDADMP C[NH+]1CCN(c2ncc(CNCC[NH2+]C3CCCCCC3)cn2)CC1 ZINC000414806265 304142963 /nfs/dbraw/zinc/14/29/63/304142963.db2.gz MTBMAHRRVQSJSA-UHFFFAOYSA-N 2 1 346.523 1.630 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000414826510 304145167 /nfs/dbraw/zinc/14/51/67/304145167.db2.gz FOWHACXSDZQHIP-UHFFFAOYSA-N 2 1 330.432 1.041 20 0 EDADMP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000418758971 284124864 /nfs/dbraw/zinc/12/48/64/284124864.db2.gz KAJIKGBQDWDEOW-NWANDNLSSA-N 2 1 342.434 1.642 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000415051689 304154844 /nfs/dbraw/zinc/15/48/44/304154844.db2.gz ZNCFLSLAJARIRE-YOEHRIQHSA-N 2 1 344.459 1.287 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCC2([NH3+])CCC2)c1 ZINC000415050239 304154855 /nfs/dbraw/zinc/15/48/55/304154855.db2.gz BMMLSCNXPGGFCA-OAHLLOKOSA-N 2 1 345.447 1.139 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCC2([NH3+])CCC2)c1 ZINC000415050239 304154856 /nfs/dbraw/zinc/15/48/56/304154856.db2.gz BMMLSCNXPGGFCA-OAHLLOKOSA-N 2 1 345.447 1.139 20 0 EDADMP C[N@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C[C@H](O)C[NH3+] ZINC000415070939 304157114 /nfs/dbraw/zinc/15/71/14/304157114.db2.gz RSIITBLZBATCHA-CYBMUJFWSA-N 2 1 328.338 1.643 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)C1 ZINC000415104262 304160520 /nfs/dbraw/zinc/16/05/20/304160520.db2.gz KOJKKMYUGITERM-YOEHRIQHSA-N 2 1 341.459 1.897 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC[C@@H]2CCC[NH2+]C2)C1 ZINC000415120692 304161641 /nfs/dbraw/zinc/16/16/41/304161641.db2.gz LWEPVPAEAXJWBK-WBVHZDCISA-N 2 1 330.476 1.795 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC[C@@H]2CCC[NH2+]C2)C1 ZINC000415120688 304161694 /nfs/dbraw/zinc/16/16/94/304161694.db2.gz LWEPVPAEAXJWBK-NVXWUHKLSA-N 2 1 330.476 1.795 20 0 EDADMP COc1cc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc(OC)c1 ZINC000415123947 304161927 /nfs/dbraw/zinc/16/19/27/304161927.db2.gz BONIACWTBRXANN-MSOLQXFVSA-N 2 1 332.444 1.904 20 0 EDADMP CCN(C)c1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cn1 ZINC000415123148 304162139 /nfs/dbraw/zinc/16/21/39/304162139.db2.gz JBGBHLMJIOIYEH-MRXNPFEDSA-N 2 1 329.452 1.425 20 0 EDADMP Cc1c(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cnn1C ZINC000415138403 304163510 /nfs/dbraw/zinc/16/35/10/304163510.db2.gz VCQMRGMEZBUPNE-UHFFFAOYSA-N 2 1 327.476 1.812 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)C[C@@H](C)O1 ZINC000195213480 139010395 /nfs/dbraw/zinc/01/03/95/139010395.db2.gz UYUDIRSJXAOHBT-RGCFKVTRSA-N 2 1 343.471 1.587 20 0 EDADMP CC(C)C[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000236677697 139028409 /nfs/dbraw/zinc/02/84/09/139028409.db2.gz DQSBJCOMPDWBEE-ZWKOTPCHSA-N 2 1 333.476 1.940 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000236791447 139031415 /nfs/dbraw/zinc/03/14/15/139031415.db2.gz ZIVARLOVTKNBMB-FUHWJXTLSA-N 2 1 332.492 1.831 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000236882746 139034154 /nfs/dbraw/zinc/03/41/54/139034154.db2.gz NTKMQLLDLPOETM-AEFFLSMTSA-N 2 1 332.492 1.640 20 0 EDADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000081257990 217374087 /nfs/dbraw/zinc/37/40/87/217374087.db2.gz FIVLVUQEODESKT-LPHOPBHVSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000081257990 217374090 /nfs/dbraw/zinc/37/40/90/217374090.db2.gz FIVLVUQEODESKT-LPHOPBHVSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000081257990 217374092 /nfs/dbraw/zinc/37/40/92/217374092.db2.gz FIVLVUQEODESKT-LPHOPBHVSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000081257990 217374096 /nfs/dbraw/zinc/37/40/96/217374096.db2.gz FIVLVUQEODESKT-LPHOPBHVSA-N 2 1 345.487 1.865 20 0 EDADMP [NH3+][C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000238006752 139066264 /nfs/dbraw/zinc/06/62/64/139066264.db2.gz NSQPVFDPDVRDBK-OALUTQOASA-N 2 1 339.439 1.704 20 0 EDADMP [NH3+][C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000238006752 139066265 /nfs/dbraw/zinc/06/62/65/139066265.db2.gz NSQPVFDPDVRDBK-OALUTQOASA-N 2 1 339.439 1.704 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000238088586 139068597 /nfs/dbraw/zinc/06/85/97/139068597.db2.gz PZXWZTRZCCONPE-ROUUACIJSA-N 2 1 347.528 1.762 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+](C)C1CCCC1 ZINC000111858156 220211048 /nfs/dbraw/zinc/21/10/48/220211048.db2.gz UJGFVBLXXCCLPA-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000111858156 220211050 /nfs/dbraw/zinc/21/10/50/220211050.db2.gz UJGFVBLXXCCLPA-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000111858156 220211054 /nfs/dbraw/zinc/21/10/54/220211054.db2.gz UJGFVBLXXCCLPA-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C[C@@H](C)C1 ZINC000415246700 304178468 /nfs/dbraw/zinc/17/84/68/304178468.db2.gz XQJKISCFVOMGSK-ZQIUZPCESA-N 2 1 344.459 1.273 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2c2cc(NC)ncn2)[C@@H](C)C1 ZINC000246264155 139101610 /nfs/dbraw/zinc/10/16/10/139101610.db2.gz ABJGBTLLZMRREI-XHSDSOJGSA-N 2 1 332.496 1.807 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000247239763 139141945 /nfs/dbraw/zinc/14/19/45/139141945.db2.gz XTPYOBPSXJMDAN-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000247239763 139141946 /nfs/dbraw/zinc/14/19/46/139141946.db2.gz XTPYOBPSXJMDAN-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000247239763 139141947 /nfs/dbraw/zinc/14/19/47/139141947.db2.gz XTPYOBPSXJMDAN-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000247239763 139141948 /nfs/dbraw/zinc/14/19/48/139141948.db2.gz XTPYOBPSXJMDAN-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)NC(C)(C)C[NH3+])c1)C1CC1 ZINC000415381631 304209612 /nfs/dbraw/zinc/20/96/12/304209612.db2.gz NZXVXGAJUWTTNA-UHFFFAOYSA-N 2 1 332.448 1.115 20 0 EDADMP CC(C)[C@H](C(=O)NCCC[N@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248236791 139159693 /nfs/dbraw/zinc/15/96/93/139159693.db2.gz MWOWVSOWARINEK-BRWVUGGUSA-N 2 1 327.513 1.967 20 0 EDADMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248236791 139159694 /nfs/dbraw/zinc/15/96/94/139159694.db2.gz MWOWVSOWARINEK-BRWVUGGUSA-N 2 1 327.513 1.967 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000249378592 139192032 /nfs/dbraw/zinc/19/20/32/139192032.db2.gz ZEEFXTRYFFPNNX-KURKYZTESA-N 2 1 333.476 1.498 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000253354948 139205969 /nfs/dbraw/zinc/20/59/69/139205969.db2.gz QZIKYEAVUBECPK-BJWYYQGGSA-N 2 1 337.489 1.321 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000253354948 139205970 /nfs/dbraw/zinc/20/59/70/139205970.db2.gz QZIKYEAVUBECPK-BJWYYQGGSA-N 2 1 337.489 1.321 20 0 EDADMP COCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000261551744 139208847 /nfs/dbraw/zinc/20/88/47/139208847.db2.gz XFWFPFVHBBGIDY-SFHVURJKSA-N 2 1 345.487 1.783 20 0 EDADMP Cc1[nH]nc2ncc(C[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cc12 ZINC000261681919 139217052 /nfs/dbraw/zinc/21/70/52/139217052.db2.gz AJHGGLFVSAVKHL-AWEZNQCLSA-N 2 1 330.436 1.086 20 0 EDADMP C[C@]([NH3+])(C(=O)NCC(F)(F)C[NH3+])c1ccc(Br)cc1 ZINC000261695942 139218329 /nfs/dbraw/zinc/21/83/29/139218329.db2.gz FDTUVEXSFHQDQQ-LLVKDONJSA-N 2 1 336.180 1.333 20 0 EDADMP CCc1cc(N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nc(C)[nH+]1 ZINC000261739525 139222210 /nfs/dbraw/zinc/22/22/10/139222210.db2.gz SQAIDGHLJIJPQP-ZBFHGGJFSA-N 2 1 331.464 1.432 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261779420 139225430 /nfs/dbraw/zinc/22/54/30/139225430.db2.gz PFBUHIFTONSFMA-NHYWBVRUSA-N 2 1 340.265 1.691 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000261772497 139224598 /nfs/dbraw/zinc/22/45/98/139224598.db2.gz XBIOHPFLFPRQGD-CYBMUJFWSA-N 2 1 345.365 1.872 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@@](C)(C[NH3+])C3)CC2)c1 ZINC000261927132 139237703 /nfs/dbraw/zinc/23/77/03/139237703.db2.gz ZKRYHXSRALKJDX-IBGZPJMESA-N 2 1 330.476 1.314 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@@](C)(C[NH3+])C3)CC2)c1 ZINC000261927132 139237704 /nfs/dbraw/zinc/23/77/04/139237704.db2.gz ZKRYHXSRALKJDX-IBGZPJMESA-N 2 1 330.476 1.314 20 0 EDADMP CNC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261928181 139237821 /nfs/dbraw/zinc/23/78/21/139237821.db2.gz LJSVKCJBDQMZFJ-KURKYZTESA-N 2 1 347.459 1.058 20 0 EDADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000261968158 139240722 /nfs/dbraw/zinc/24/07/22/139240722.db2.gz CDMBCJYLDWTHMS-UHFFFAOYSA-N 2 1 335.448 1.964 20 0 EDADMP O=C(NCCN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)c1ccccc1F ZINC000262012404 139243872 /nfs/dbraw/zinc/24/38/72/139243872.db2.gz VFIQULFMRANXOB-INIZCTEOSA-N 2 1 348.466 1.173 20 0 EDADMP c1ccc2c(c1)CCN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C2 ZINC000262037210 139245663 /nfs/dbraw/zinc/24/56/63/139245663.db2.gz YBTPBDRHPHDBJO-VAMGGRTRSA-N 2 1 329.488 1.791 20 0 EDADMP CCCOc1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1OC ZINC000262128110 139253227 /nfs/dbraw/zinc/25/32/27/139253227.db2.gz NLRCDNOFHSMDMH-KRWDZBQOSA-N 2 1 333.476 1.964 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262129585 139253445 /nfs/dbraw/zinc/25/34/45/139253445.db2.gz GKEHTBKEZXIQNX-IAGOWNOFSA-N 2 1 337.508 1.855 20 0 EDADMP COc1ccccc1-n1nccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262146906 139255102 /nfs/dbraw/zinc/25/51/02/139255102.db2.gz QMJDPGICWJAFCW-INIZCTEOSA-N 2 1 341.459 1.360 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000416011698 251046121 /nfs/dbraw/zinc/04/61/21/251046121.db2.gz QBPVGZFISNYJDA-AWEZNQCLSA-N 2 1 334.464 1.715 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000416875103 251115674 /nfs/dbraw/zinc/11/56/74/251115674.db2.gz USOJPJKIUZBDNV-GOSISDBHSA-N 2 1 348.491 1.514 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416877601 251116512 /nfs/dbraw/zinc/11/65/12/251116512.db2.gz IMHFAERQDAVVPG-GOSISDBHSA-N 2 1 348.491 1.691 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000262300582 139268010 /nfs/dbraw/zinc/26/80/10/139268010.db2.gz PPJGLBPVYWYARV-NXHRZFHOSA-N 2 1 331.460 1.044 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000262300582 139268011 /nfs/dbraw/zinc/26/80/11/139268011.db2.gz PPJGLBPVYWYARV-NXHRZFHOSA-N 2 1 331.460 1.044 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417088488 251141606 /nfs/dbraw/zinc/14/16/06/251141606.db2.gz HHBZKBJZUSUNNO-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP C[NH2+]CCCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417170316 251145002 /nfs/dbraw/zinc/14/50/02/251145002.db2.gz ISHMAIDIGWTMFM-UHFFFAOYSA-N 2 1 340.418 1.838 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000417408553 251164591 /nfs/dbraw/zinc/16/45/91/251164591.db2.gz UMVCYYROLWHDPH-MSOLQXFVSA-N 2 1 330.476 1.889 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000262342523 139271694 /nfs/dbraw/zinc/27/16/94/139271694.db2.gz IBOGSTXARHPWOX-LPHOPBHVSA-N 2 1 345.487 1.913 20 0 EDADMP CO[C@@H]1CCN(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000417578136 251195508 /nfs/dbraw/zinc/19/55/08/251195508.db2.gz KYLYSHXQQODKLO-CGTJXYLNSA-N 2 1 348.491 1.655 20 0 EDADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262436256 139278840 /nfs/dbraw/zinc/27/88/40/139278840.db2.gz CFXATPBYZZYZMS-BZUAXINKSA-N 2 1 337.851 1.316 20 0 EDADMP [NH3+]CCCOC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000417700185 251233914 /nfs/dbraw/zinc/23/39/14/251233914.db2.gz GOZSEGKADMEFRN-OAHLLOKOSA-N 2 1 338.496 1.543 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000417761454 251259494 /nfs/dbraw/zinc/25/94/94/251259494.db2.gz ZCGMEOWRRDVMSQ-SJORKVTESA-N 2 1 339.528 1.091 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000418110485 251325165 /nfs/dbraw/zinc/32/51/65/251325165.db2.gz FESZAZMDZKPUBA-OAGGEKHMSA-N 2 1 326.485 1.256 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000418423399 251367025 /nfs/dbraw/zinc/36/70/25/251367025.db2.gz CEOYABVZKGPEGU-MWDXBVQZSA-N 2 1 340.512 1.643 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418476180 251373370 /nfs/dbraw/zinc/37/33/70/251373370.db2.gz SDUNKBSICKNFNC-OAHLLOKOSA-N 2 1 328.501 1.361 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000418152962 251345606 /nfs/dbraw/zinc/34/56/06/251345606.db2.gz UKRMDKZBAIIVGY-MSOLQXFVSA-N 2 1 346.475 1.266 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418346352 251361438 /nfs/dbraw/zinc/36/14/38/251361438.db2.gz UOPVJOCWPAEJFI-SFHVURJKSA-N 2 1 330.476 1.556 20 0 EDADMP CCN(C(=O)NCC(F)(F)C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418525123 251375956 /nfs/dbraw/zinc/37/59/56/251375956.db2.gz OFIICEGYLISTJY-HNNXBMFYSA-N 2 1 340.418 1.886 20 0 EDADMP CCN(C(=O)NCC(F)(F)C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418525123 251375958 /nfs/dbraw/zinc/37/59/58/251375958.db2.gz OFIICEGYLISTJY-HNNXBMFYSA-N 2 1 340.418 1.886 20 0 EDADMP O=C(NCCC1=CC[NH2+]CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000418638332 251382166 /nfs/dbraw/zinc/38/21/66/251382166.db2.gz KNJVECVKCWPUQV-SJLPKXTDSA-N 2 1 332.492 1.955 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418689092 251385927 /nfs/dbraw/zinc/38/59/27/251385927.db2.gz UVWCKTYLLRKHEQ-BPQIPLTHSA-N 2 1 330.476 1.725 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262633335 139291676 /nfs/dbraw/zinc/29/16/76/139291676.db2.gz GIGKMHIFHQIPKS-APWZRJJASA-N 2 1 344.503 1.568 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)[C@H](C)C1 ZINC000262738580 139300094 /nfs/dbraw/zinc/30/00/94/139300094.db2.gz IUGQBKFWMJZSOR-INMHGKMJSA-N 2 1 333.480 1.610 20 0 EDADMP C[NH+](C)CCOc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422894930 252015422 /nfs/dbraw/zinc/01/54/22/252015422.db2.gz DMXVPFGLOHWXPK-HSALFYBXSA-N 2 1 347.503 1.874 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000422899364 252017435 /nfs/dbraw/zinc/01/74/35/252017435.db2.gz HHJZVXKSXLLWSB-LPHOPBHVSA-N 3 1 335.492 1.751 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000422899364 252017438 /nfs/dbraw/zinc/01/74/38/252017438.db2.gz HHJZVXKSXLLWSB-LPHOPBHVSA-N 3 1 335.492 1.751 20 0 EDADMP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000422856257 252001391 /nfs/dbraw/zinc/00/13/91/252001391.db2.gz FVBFXKYITBMUCL-ROUUACIJSA-N 2 1 333.476 1.910 20 0 EDADMP FC(F)C(F)(F)COCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423073302 252035205 /nfs/dbraw/zinc/03/52/05/252035205.db2.gz INDLKVZCVKOQEB-IJLUTSLNSA-N 2 1 328.350 1.650 20 0 EDADMP O=C1CCN1c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423094421 252036022 /nfs/dbraw/zinc/03/60/22/252036022.db2.gz BSZWCQGCYCKFES-KURKYZTESA-N 2 1 329.444 1.670 20 0 EDADMP Fc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2cnccn2)cc1 ZINC000423176059 252042508 /nfs/dbraw/zinc/04/25/08/252042508.db2.gz BTYJNEFWCHASET-GOSISDBHSA-N 2 1 329.423 1.590 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000423354047 252050561 /nfs/dbraw/zinc/05/05/61/252050561.db2.gz MRJYIFFXFCEGBC-MAUKXSAKSA-N 2 1 331.460 1.888 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422911779 252020580 /nfs/dbraw/zinc/02/05/80/252020580.db2.gz LLQGTJDIVSKAPV-ZWKOTPCHSA-N 3 1 332.492 1.728 20 0 EDADMP [NH3+]Cc1nc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000423792823 252077933 /nfs/dbraw/zinc/07/79/33/252077933.db2.gz WCWRUFQLEYOBMQ-UHFFFAOYSA-N 2 1 331.445 1.643 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423794848 252078208 /nfs/dbraw/zinc/07/82/08/252078208.db2.gz KDRCYLOXZDGAAG-HNNXBMFYSA-N 2 1 325.497 1.581 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424148922 252145582 /nfs/dbraw/zinc/14/55/82/252145582.db2.gz VFLXZUOUDCEXMB-LSDHHAIUSA-N 2 1 333.480 1.681 20 0 EDADMP [NH3+][C@H]1CCc2ncc(NC(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)cc2C1 ZINC000424154494 252147769 /nfs/dbraw/zinc/14/77/69/252147769.db2.gz MNQIBSHADQIBNI-AAEUAGOBSA-N 2 1 340.431 1.340 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424303686 252194336 /nfs/dbraw/zinc/19/43/36/252194336.db2.gz OQDWMJMBEIDZSO-CRAIPNDOSA-N 3 1 337.483 1.893 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000424303686 252194340 /nfs/dbraw/zinc/19/43/40/252194340.db2.gz OQDWMJMBEIDZSO-CRAIPNDOSA-N 2 1 337.483 1.893 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000424303686 252194343 /nfs/dbraw/zinc/19/43/43/252194343.db2.gz OQDWMJMBEIDZSO-CRAIPNDOSA-N 2 1 337.483 1.893 20 0 EDADMP COC(=O)CC1CC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000424321579 252195886 /nfs/dbraw/zinc/19/58/86/252195886.db2.gz UOJRMCSLTUTKHC-TVPLGVNVSA-N 2 1 332.444 1.555 20 0 EDADMP COC(=O)CC1CC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000424321579 252195890 /nfs/dbraw/zinc/19/58/90/252195890.db2.gz UOJRMCSLTUTKHC-TVPLGVNVSA-N 2 1 332.444 1.555 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000424464076 252238661 /nfs/dbraw/zinc/23/86/61/252238661.db2.gz IMVJPNJMEMGNNA-CJNGLKHVSA-N 2 1 330.432 1.087 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@@H](C)C1 ZINC000424473349 252244572 /nfs/dbraw/zinc/24/45/72/252244572.db2.gz WFLNVEPKNZDAIG-YOEHRIQHSA-N 2 1 346.475 1.581 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000569740666 306518593 /nfs/dbraw/zinc/51/85/93/306518593.db2.gz UIJZYSOXIHRCAR-UHFFFAOYSA-N 2 1 327.432 1.476 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000246019589 285009613 /nfs/dbraw/zinc/00/96/13/285009613.db2.gz UVCXAZYZZAIOPR-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000263122582 139323638 /nfs/dbraw/zinc/32/36/38/139323638.db2.gz BCFAYQHMGXNDDO-QFBILLFUSA-N 2 1 349.438 1.604 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000344061035 285054573 /nfs/dbraw/zinc/05/45/73/285054573.db2.gz IHSIPMHTLKGNDF-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)CCn3ccnc3)cc2)CC1 ZINC000263707219 139354402 /nfs/dbraw/zinc/35/44/02/139354402.db2.gz UHHUTDNXVZYHFU-UHFFFAOYSA-N 2 1 341.459 1.337 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1Cc2ccccc2O1 ZINC000337584875 285248375 /nfs/dbraw/zinc/24/83/75/285248375.db2.gz QZBAYYTZUGXKNN-IEBWSBKVSA-N 2 1 345.487 1.865 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[NH+]1CCOCC1 ZINC000494288251 255244411 /nfs/dbraw/zinc/24/44/11/255244411.db2.gz QMMOAZKKWKXRFE-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[NH+]1CCOCC1 ZINC000494288251 255244412 /nfs/dbraw/zinc/24/44/12/255244412.db2.gz QMMOAZKKWKXRFE-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000104831957 285259163 /nfs/dbraw/zinc/25/91/63/285259163.db2.gz KLUVTOBFBARFOT-RTBURBONSA-N 2 1 344.503 1.576 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000104831957 285259164 /nfs/dbraw/zinc/25/91/64/285259164.db2.gz KLUVTOBFBARFOT-RTBURBONSA-N 2 1 344.503 1.576 20 0 EDADMP CC(C)[N@H+](C)CCCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264246753 139389835 /nfs/dbraw/zinc/38/98/35/139389835.db2.gz PTMKXBYWJNHJOU-LJQANCHMSA-N 2 1 346.519 1.822 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264246753 139389836 /nfs/dbraw/zinc/38/98/36/139389836.db2.gz PTMKXBYWJNHJOU-LJQANCHMSA-N 2 1 346.519 1.822 20 0 EDADMP O=C(NCCCC[N@@H+]1CCC[C@H]1CO)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415886416 304284471 /nfs/dbraw/zinc/28/44/71/304284471.db2.gz UVFIJFMMJCNDKV-SFHVURJKSA-N 2 1 346.475 1.691 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000178672496 533371213 /nfs/dbraw/zinc/37/12/13/533371213.db2.gz LSKWDYUWDCQPSX-QKFKETGDSA-N 2 1 337.489 1.239 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000416238054 304298855 /nfs/dbraw/zinc/29/88/55/304298855.db2.gz GTBLBAQNGJXLFR-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000416287406 304302411 /nfs/dbraw/zinc/30/24/11/304302411.db2.gz BXWJYBLDBNURFK-IAGOWNOFSA-N 2 1 345.487 1.810 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000416287406 304302413 /nfs/dbraw/zinc/30/24/13/304302413.db2.gz BXWJYBLDBNURFK-IAGOWNOFSA-N 2 1 345.487 1.810 20 0 EDADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[C@@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000271458905 140298519 /nfs/dbraw/zinc/29/85/19/140298519.db2.gz WRXRLLZKGXBHDI-VQTJNVASSA-N 2 1 329.488 1.915 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[C@@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000271458905 140298521 /nfs/dbraw/zinc/29/85/21/140298521.db2.gz WRXRLLZKGXBHDI-VQTJNVASSA-N 2 1 329.488 1.915 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)C[C@H](C)O1 ZINC000331907236 141096498 /nfs/dbraw/zinc/09/64/98/141096498.db2.gz LMCFPKZAYAJIOV-JZXOWHBKSA-N 2 1 336.480 1.065 20 0 EDADMP O=S1(=O)CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000332563843 141203941 /nfs/dbraw/zinc/20/39/41/141203941.db2.gz YKAVLGLWGRPFMX-UHFFFAOYSA-N 2 1 338.473 1.186 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[N@H+]1C1CC1 ZINC000333137061 141270357 /nfs/dbraw/zinc/27/03/57/141270357.db2.gz CNHWULHPDLEUKC-KZYLPZIUSA-N 2 1 349.523 1.127 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC2CCC([NH+]3CCNCC3)CC2)C[N@@H+]1C1CC1 ZINC000333137061 141270358 /nfs/dbraw/zinc/27/03/58/141270358.db2.gz CNHWULHPDLEUKC-KZYLPZIUSA-N 2 1 349.523 1.127 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC2CCC([NH+]3CCNCC3)CC2)C[N@H+]1C1CC1 ZINC000333137061 141270359 /nfs/dbraw/zinc/27/03/59/141270359.db2.gz CNHWULHPDLEUKC-KZYLPZIUSA-N 2 1 349.523 1.127 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000333374659 141308076 /nfs/dbraw/zinc/30/80/76/141308076.db2.gz MXSJVSNBKGUWGZ-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000333635598 141348235 /nfs/dbraw/zinc/34/82/35/141348235.db2.gz HGRJCGRMCKGTQK-LZWOXQAQSA-N 2 1 334.468 1.163 20 0 EDADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000333635598 141348237 /nfs/dbraw/zinc/34/82/37/141348237.db2.gz HGRJCGRMCKGTQK-LZWOXQAQSA-N 2 1 334.468 1.163 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000333653333 141351174 /nfs/dbraw/zinc/35/11/74/141351174.db2.gz KERPPRICTQIDGR-WCXIOVBPSA-N 2 1 338.496 1.127 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000333672942 141354156 /nfs/dbraw/zinc/35/41/56/141354156.db2.gz YNETUCGQYXBUQM-SJORKVTESA-N 2 1 343.475 1.884 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000333806190 141385174 /nfs/dbraw/zinc/38/51/74/141385174.db2.gz IOIAFQBNYFEIGN-INMHGKMJSA-N 2 1 338.496 1.399 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000339861489 142180885 /nfs/dbraw/zinc/18/08/85/142180885.db2.gz QVSYZKFQTVFCLW-GOEBONIOSA-N 2 1 336.484 1.528 20 0 EDADMP OC[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)O1 ZINC000340417626 142384402 /nfs/dbraw/zinc/38/44/02/142384402.db2.gz FRABKDGMALTZTQ-RBUKOAKNSA-N 2 1 336.451 1.962 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(N4CC[NH+](C)CC4)n3)C2)C1 ZINC000346319031 143191288 /nfs/dbraw/zinc/19/12/88/143191288.db2.gz LMIAMOGZAAQFJO-LJQANCHMSA-N 2 1 343.475 1.001 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000346344288 143194310 /nfs/dbraw/zinc/19/43/10/143194310.db2.gz DASOVIVZNLCQRM-CVEARBPZSA-N 2 1 339.528 1.137 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC000346344288 143194312 /nfs/dbraw/zinc/19/43/12/143194312.db2.gz DASOVIVZNLCQRM-CVEARBPZSA-N 2 1 339.528 1.137 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C ZINC000346814133 143248260 /nfs/dbraw/zinc/24/82/60/143248260.db2.gz BQLSELQXPJLYSQ-XIRDDKMYSA-N 2 1 334.464 1.622 20 0 EDADMP CC(C)c1cnc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000347027954 143273502 /nfs/dbraw/zinc/27/35/02/143273502.db2.gz VHCNRKRCHDSIJA-CQSZACIVSA-N 2 1 336.505 1.910 20 0 EDADMP CC(C)c1cnc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000347027954 143273503 /nfs/dbraw/zinc/27/35/03/143273503.db2.gz VHCNRKRCHDSIJA-CQSZACIVSA-N 2 1 336.505 1.910 20 0 EDADMP COCCOc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1)OCO2 ZINC000347037891 143275027 /nfs/dbraw/zinc/27/50/27/143275027.db2.gz GDARNVAUKPZWQO-KBPBESRZSA-N 2 1 336.432 2.000 20 0 EDADMP COCCOc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)OCO2 ZINC000347037891 143275028 /nfs/dbraw/zinc/27/50/28/143275028.db2.gz GDARNVAUKPZWQO-KBPBESRZSA-N 2 1 336.432 2.000 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000347082538 143280436 /nfs/dbraw/zinc/28/04/36/143280436.db2.gz ZLWCDLGEZWQAGF-XYPWUTKMSA-N 2 1 334.464 1.778 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000347082538 143280437 /nfs/dbraw/zinc/28/04/37/143280437.db2.gz ZLWCDLGEZWQAGF-XYPWUTKMSA-N 2 1 334.464 1.778 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000347186029 143292318 /nfs/dbraw/zinc/29/23/18/143292318.db2.gz ZOGMWKKJCIFWBP-HNNXBMFYSA-N 2 1 327.432 1.364 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)C[N@@H+](C)[C@H]2CCSC2)C[C@@H](C)O1 ZINC000347426289 143319530 /nfs/dbraw/zinc/31/95/30/143319530.db2.gz KZXSQDXPTHKCLP-OAGGEKHMSA-N 2 1 343.537 1.429 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)[NH+](C)C1 ZINC000347582578 143337365 /nfs/dbraw/zinc/33/73/65/143337365.db2.gz FZPUZFPTSQCTQE-ZJIFWQFVSA-N 2 1 326.485 1.076 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)[N@H+](C)C1 ZINC000347582578 143337366 /nfs/dbraw/zinc/33/73/66/143337366.db2.gz FZPUZFPTSQCTQE-ZJIFWQFVSA-N 2 1 326.485 1.076 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)[N@@H+](C)C1 ZINC000347582578 143337367 /nfs/dbraw/zinc/33/73/67/143337367.db2.gz FZPUZFPTSQCTQE-ZJIFWQFVSA-N 2 1 326.485 1.076 20 0 EDADMP CC(=O)[C@H](NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000347936768 143381294 /nfs/dbraw/zinc/38/12/94/143381294.db2.gz UKGLQZBFTCUMPZ-SIXWZSSISA-N 2 1 337.508 1.959 20 0 EDADMP CC(=O)[C@H](NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000347936768 143381295 /nfs/dbraw/zinc/38/12/95/143381295.db2.gz UKGLQZBFTCUMPZ-SIXWZSSISA-N 2 1 337.508 1.959 20 0 EDADMP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cc1 ZINC000369706344 155142468 /nfs/dbraw/zinc/14/24/68/155142468.db2.gz JMTWIRQYOGIAQH-SFHVURJKSA-N 2 1 331.460 1.708 20 0 EDADMP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[N@H+](C3CCOCC3)CC2)cc1 ZINC000369706344 155142473 /nfs/dbraw/zinc/14/24/73/155142473.db2.gz JMTWIRQYOGIAQH-SFHVURJKSA-N 2 1 331.460 1.708 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000416843928 304350867 /nfs/dbraw/zinc/35/08/67/304350867.db2.gz PSEWQUVBBNAORL-RDJZCZTQSA-N 2 1 348.491 1.987 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000416842139 304350614 /nfs/dbraw/zinc/35/06/14/304350614.db2.gz MSETWADNOOUMSQ-SJLPKXTDSA-N 2 1 334.439 1.604 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000416842139 304350615 /nfs/dbraw/zinc/35/06/15/304350615.db2.gz MSETWADNOOUMSQ-SJLPKXTDSA-N 2 1 334.439 1.604 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)N(CC)CC)[C@@H](C)C1 ZINC000358104755 286063153 /nfs/dbraw/zinc/06/31/53/286063153.db2.gz YQJYIOGRWMJXCO-ULQDDVLXSA-N 2 1 327.513 1.970 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)N(CC)CC)[C@@H](C)C1 ZINC000358104755 286063154 /nfs/dbraw/zinc/06/31/54/286063154.db2.gz YQJYIOGRWMJXCO-ULQDDVLXSA-N 2 1 327.513 1.970 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)C(C)C ZINC000353240603 149336226 /nfs/dbraw/zinc/33/62/26/149336226.db2.gz UPNFKONYPLMULI-UHFFFAOYSA-N 2 1 328.501 1.251 20 0 EDADMP Cn1cc([C@H]2[C@H](CNC(=O)C3CC[NH+](C)CC3)CCC[N@H+]2C)cn1 ZINC000369925900 155236796 /nfs/dbraw/zinc/23/67/96/155236796.db2.gz GTJOIJZWCOQOAF-DOTOQJQBSA-N 2 1 333.480 1.261 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000355029078 150082790 /nfs/dbraw/zinc/08/27/90/150082790.db2.gz ITNDMZGPYCMYGQ-MJGOQNOKSA-N 2 1 347.503 1.527 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417028771 304362233 /nfs/dbraw/zinc/36/22/33/304362233.db2.gz BUBYRXMEVSYJKC-CVEARBPZSA-N 2 1 326.485 1.400 20 0 EDADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC000355658424 150352704 /nfs/dbraw/zinc/35/27/04/150352704.db2.gz XEFVXGJXILHEEU-UHFFFAOYSA-N 2 1 338.415 1.694 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC000370002138 155276468 /nfs/dbraw/zinc/27/64/68/155276468.db2.gz MVIUBKGFLKZXFU-INIZCTEOSA-N 2 1 347.507 1.274 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417046340 304366254 /nfs/dbraw/zinc/36/62/54/304366254.db2.gz SLVAXBDYCWZWMD-HOTGVXAUSA-N 2 1 333.480 1.234 20 0 EDADMP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000370020908 155284445 /nfs/dbraw/zinc/28/44/45/155284445.db2.gz VGNAHVRLXFXXNN-ZWKOTPCHSA-N 2 1 334.508 1.101 20 0 EDADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417046047 304366249 /nfs/dbraw/zinc/36/62/49/304366249.db2.gz ZDTQVXCWHVQHSH-MAUKXSAKSA-N 2 1 330.476 1.732 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000357451443 151036157 /nfs/dbraw/zinc/03/61/57/151036157.db2.gz ATQMUBOJLILJQR-CEXWTWQISA-N 2 1 343.471 1.298 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000357451443 151036159 /nfs/dbraw/zinc/03/61/59/151036159.db2.gz ATQMUBOJLILJQR-CEXWTWQISA-N 2 1 343.471 1.298 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000357451443 151036161 /nfs/dbraw/zinc/03/61/61/151036161.db2.gz ATQMUBOJLILJQR-CEXWTWQISA-N 2 1 343.471 1.298 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000357451443 151036164 /nfs/dbraw/zinc/03/61/64/151036164.db2.gz ATQMUBOJLILJQR-CEXWTWQISA-N 2 1 343.471 1.298 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H](C)O1 ZINC000357491161 151046425 /nfs/dbraw/zinc/04/64/25/151046425.db2.gz RRKLZISFSQSSPF-ZACQAIPSSA-N 2 1 325.497 1.819 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@@H](C)O1 ZINC000357491161 151046427 /nfs/dbraw/zinc/04/64/27/151046427.db2.gz RRKLZISFSQSSPF-ZACQAIPSSA-N 2 1 325.497 1.819 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000358105657 151272127 /nfs/dbraw/zinc/27/21/27/151272127.db2.gz OXJRARSUEGNCRL-SJORKVTESA-N 2 1 336.524 1.393 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCOCC2)[C@@H](C)C1 ZINC000358151722 151289308 /nfs/dbraw/zinc/28/93/08/151289308.db2.gz FWKSXLKMDLBNDW-SZMVWBNQSA-N 2 1 328.497 1.501 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)c3ccc(F)cc3C)C2)CC1 ZINC000370056992 155307272 /nfs/dbraw/zinc/30/72/72/155307272.db2.gz UGWINODSUDXOHW-PKOBYXMFSA-N 2 1 335.467 1.879 20 0 EDADMP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358495965 151395238 /nfs/dbraw/zinc/39/52/38/151395238.db2.gz IJYBRQBKDUXAGX-OAHLLOKOSA-N 2 1 331.460 1.775 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000360796494 152208712 /nfs/dbraw/zinc/20/87/12/152208712.db2.gz HEDWISWBUFNXMB-ZACQAIPSSA-N 2 1 342.528 1.857 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360796494 152208716 /nfs/dbraw/zinc/20/87/16/152208716.db2.gz HEDWISWBUFNXMB-ZACQAIPSSA-N 2 1 342.528 1.857 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360796494 152208718 /nfs/dbraw/zinc/20/87/18/152208718.db2.gz HEDWISWBUFNXMB-ZACQAIPSSA-N 2 1 342.528 1.857 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360796494 152208720 /nfs/dbraw/zinc/20/87/20/152208720.db2.gz HEDWISWBUFNXMB-ZACQAIPSSA-N 2 1 342.528 1.857 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360796494 152208721 /nfs/dbraw/zinc/20/87/21/152208721.db2.gz HEDWISWBUFNXMB-ZACQAIPSSA-N 2 1 342.528 1.857 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000360889439 152242458 /nfs/dbraw/zinc/24/24/58/152242458.db2.gz NTFZFLGJKCMMES-NCOADZHNSA-N 2 1 336.480 1.118 20 0 EDADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000360889439 152242460 /nfs/dbraw/zinc/24/24/60/152242460.db2.gz NTFZFLGJKCMMES-NCOADZHNSA-N 2 1 336.480 1.118 20 0 EDADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000360889439 152242462 /nfs/dbraw/zinc/24/24/62/152242462.db2.gz NTFZFLGJKCMMES-NCOADZHNSA-N 2 1 336.480 1.118 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000360957888 152262950 /nfs/dbraw/zinc/26/29/50/152262950.db2.gz RIAKRPPVZYYRFB-DOTOQJQBSA-N 2 1 325.497 1.772 20 0 EDADMP COCC1(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000361308918 152358534 /nfs/dbraw/zinc/35/85/34/152358534.db2.gz BMECEHYHOFFRJF-UHFFFAOYSA-N 2 1 337.508 1.679 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000361351758 152368298 /nfs/dbraw/zinc/36/82/98/152368298.db2.gz BQZZJKPZRIJJCJ-OALUTQOASA-N 2 1 330.472 1.949 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)C[C@H](C)O1 ZINC000361401013 152382314 /nfs/dbraw/zinc/38/23/14/152382314.db2.gz UPKBJYYIISVJFX-DAYGRLMNSA-N 2 1 335.492 1.571 20 0 EDADMP C[C@H](c1ccccc1)N1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2(C)C)CC1 ZINC000361408448 152385292 /nfs/dbraw/zinc/38/52/92/152385292.db2.gz NQGJUSQPNGTTRF-SJLPKXTDSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2(C)C)CC1 ZINC000361408448 152385293 /nfs/dbraw/zinc/38/52/93/152385293.db2.gz NQGJUSQPNGTTRF-SJLPKXTDSA-N 2 1 345.487 1.737 20 0 EDADMP COc1ccc(NC(=O)C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000574062318 306642477 /nfs/dbraw/zinc/64/24/77/306642477.db2.gz DGORLTQSXGPAMJ-HKUYNNGSSA-N 2 1 347.459 1.852 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC000363703254 153034323 /nfs/dbraw/zinc/03/43/23/153034323.db2.gz FCLZGGGYMOLDKR-NJAFHUGGSA-N 2 1 346.475 1.177 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC000363703254 153034327 /nfs/dbraw/zinc/03/43/27/153034327.db2.gz FCLZGGGYMOLDKR-NJAFHUGGSA-N 2 1 346.475 1.177 20 0 EDADMP Cc1ccc(OCC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000364206779 153172921 /nfs/dbraw/zinc/17/29/21/153172921.db2.gz LJSPOKNFVNBEKL-INIZCTEOSA-N 2 1 331.460 1.659 20 0 EDADMP Cc1ccc(OCC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000364206779 153172922 /nfs/dbraw/zinc/17/29/22/153172922.db2.gz LJSPOKNFVNBEKL-INIZCTEOSA-N 2 1 331.460 1.659 20 0 EDADMP CN(C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000364647246 153293058 /nfs/dbraw/zinc/29/30/58/153293058.db2.gz PJLROZHSHPUDJR-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CN(C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000364647246 153293061 /nfs/dbraw/zinc/29/30/61/153293061.db2.gz PJLROZHSHPUDJR-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H](C(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+](C)C)N1CC[NH+](C)CC1 ZINC000364895222 153363466 /nfs/dbraw/zinc/36/34/66/153363466.db2.gz BFJGTUITXCWPTR-LZQZEXGQSA-N 2 1 344.503 1.356 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000417216354 304385283 /nfs/dbraw/zinc/38/52/83/304385283.db2.gz BDQWSYHLXCVBFR-ZDUSSCGKSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000417216354 304385284 /nfs/dbraw/zinc/38/52/84/304385284.db2.gz BDQWSYHLXCVBFR-ZDUSSCGKSA-N 2 1 336.505 1.875 20 0 EDADMP CCc1nc(CN2C[C@@H]3C[N@@H+](CCCn4cc[nH+]c4C)C[C@@H]3C2)no1 ZINC000367116579 154013355 /nfs/dbraw/zinc/01/33/55/154013355.db2.gz FELJUWRWDKBAST-IYBDPMFKSA-N 2 1 344.463 1.591 20 0 EDADMP CCc1nc(CN2C[C@@H]3C[N@H+](CCCn4cc[nH+]c4C)C[C@@H]3C2)no1 ZINC000367116579 154013359 /nfs/dbraw/zinc/01/33/59/154013359.db2.gz FELJUWRWDKBAST-IYBDPMFKSA-N 2 1 344.463 1.591 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)C[C@@H]2[C@H]1c1ccccc1 ZINC000367186293 154033028 /nfs/dbraw/zinc/03/30/28/154033028.db2.gz NACAUBHOYQLZPT-DFBDCSAJSA-N 2 1 329.444 1.254 20 0 EDADMP C[C@@H]1CN(C[C@H]2CN(C)CCO2)CC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000367894454 154316292 /nfs/dbraw/zinc/31/62/92/154316292.db2.gz CZFIBEPHQPXOQX-BHIYHBOVSA-N 2 1 329.488 1.663 20 0 EDADMP CC(C)(CN1CCn2ccnc2C1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000368078874 154399583 /nfs/dbraw/zinc/39/95/83/154399583.db2.gz LHTPBMXDHOANHJ-OAHLLOKOSA-N 2 1 345.491 1.325 20 0 EDADMP CC(C)(C[N@@H+]1CCn2ccnc2C1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000368078874 154399586 /nfs/dbraw/zinc/39/95/86/154399586.db2.gz LHTPBMXDHOANHJ-OAHLLOKOSA-N 2 1 345.491 1.325 20 0 EDADMP CC(C)(C[N@H+]1CCn2ccnc2C1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000368078874 154399589 /nfs/dbraw/zinc/39/95/89/154399589.db2.gz LHTPBMXDHOANHJ-OAHLLOKOSA-N 2 1 345.491 1.325 20 0 EDADMP CC(C)(C[NH+]1CCn2ccnc2C1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000368078874 154399593 /nfs/dbraw/zinc/39/95/93/154399593.db2.gz LHTPBMXDHOANHJ-OAHLLOKOSA-N 2 1 345.491 1.325 20 0 EDADMP CC(C)(C[NH+]1CCn2ccnc2C1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000368078874 154399595 /nfs/dbraw/zinc/39/95/95/154399595.db2.gz LHTPBMXDHOANHJ-OAHLLOKOSA-N 2 1 345.491 1.325 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000417345343 304393498 /nfs/dbraw/zinc/39/34/98/304393498.db2.gz UAOUGJRQBPAGKF-UZLBHIALSA-N 2 1 342.487 1.828 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000369447703 155039526 /nfs/dbraw/zinc/03/95/26/155039526.db2.gz KZZATYYADDUJIZ-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C1=O ZINC000369600205 155105160 /nfs/dbraw/zinc/10/51/60/155105160.db2.gz IVLQFJJCCDPSFH-RBSFLKMASA-N 2 1 334.464 1.123 20 0 EDADMP CC1(C)NC(=O)N(CCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C1=O ZINC000369600205 155105164 /nfs/dbraw/zinc/10/51/64/155105164.db2.gz IVLQFJJCCDPSFH-RBSFLKMASA-N 2 1 334.464 1.123 20 0 EDADMP CC1(C)NC(=O)N(CCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)C1=O ZINC000369600205 155105168 /nfs/dbraw/zinc/10/51/68/155105168.db2.gz IVLQFJJCCDPSFH-RBSFLKMASA-N 2 1 334.464 1.123 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)C[N@@H+]1C1CC1 ZINC000369639469 155118384 /nfs/dbraw/zinc/11/83/84/155118384.db2.gz MPMPMJOVZLCMKT-QLFBSQMISA-N 2 1 331.464 1.712 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)C[N@H+]1C1CC1 ZINC000369639469 155118386 /nfs/dbraw/zinc/11/83/86/155118386.db2.gz MPMPMJOVZLCMKT-QLFBSQMISA-N 2 1 331.464 1.712 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000371650713 156046723 /nfs/dbraw/zinc/04/67/23/156046723.db2.gz TZDOIVSUMMGOGJ-JZXOWHBKSA-N 2 1 347.507 1.931 20 0 EDADMP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371704358 156068722 /nfs/dbraw/zinc/06/87/22/156068722.db2.gz VNTMUBITRICLDJ-ROUUACIJSA-N 2 1 339.524 1.924 20 0 EDADMP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371704358 156068724 /nfs/dbraw/zinc/06/87/24/156068724.db2.gz VNTMUBITRICLDJ-ROUUACIJSA-N 2 1 339.524 1.924 20 0 EDADMP C[C@@H](CNC(=O)C(C)(C)CN1CCn2ccnc2C1)[N@@H+](C)C1CC1 ZINC000371899466 156158161 /nfs/dbraw/zinc/15/81/61/156158161.db2.gz OIWHXIHYTGCNSI-AWEZNQCLSA-N 2 1 333.480 1.324 20 0 EDADMP C[C@@H](CNC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1)[NH+](C)C1CC1 ZINC000371899466 156158165 /nfs/dbraw/zinc/15/81/65/156158165.db2.gz OIWHXIHYTGCNSI-AWEZNQCLSA-N 2 1 333.480 1.324 20 0 EDADMP C[C@@H](CNC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1)[NH+](C)C1CC1 ZINC000371899466 156158170 /nfs/dbraw/zinc/15/81/70/156158170.db2.gz OIWHXIHYTGCNSI-AWEZNQCLSA-N 2 1 333.480 1.324 20 0 EDADMP C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCn2ccnc2C1)[N@H+](C)C1CC1 ZINC000371899466 156158174 /nfs/dbraw/zinc/15/81/74/156158174.db2.gz OIWHXIHYTGCNSI-AWEZNQCLSA-N 2 1 333.480 1.324 20 0 EDADMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000372046744 156223979 /nfs/dbraw/zinc/22/39/79/156223979.db2.gz RWFPEBQXWMEWFE-CQSZACIVSA-N 2 1 345.495 1.455 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000372046744 156223982 /nfs/dbraw/zinc/22/39/82/156223982.db2.gz RWFPEBQXWMEWFE-CQSZACIVSA-N 2 1 345.495 1.455 20 0 EDADMP c1ccc(OCC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000372274939 156301587 /nfs/dbraw/zinc/30/15/87/156301587.db2.gz TZPSWNKXXOZAIQ-UHFFFAOYSA-N 2 1 333.476 1.405 20 0 EDADMP c1ccc(OCC[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)cc1 ZINC000372274939 156301590 /nfs/dbraw/zinc/30/15/90/156301590.db2.gz TZPSWNKXXOZAIQ-UHFFFAOYSA-N 2 1 333.476 1.405 20 0 EDADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372314140 156326294 /nfs/dbraw/zinc/32/62/94/156326294.db2.gz YVQSXBHTLWPRFZ-IAGOWNOFSA-N 2 1 346.475 1.313 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)C1 ZINC000372342535 156344738 /nfs/dbraw/zinc/34/47/38/156344738.db2.gz VCBDDFKVKXONAW-HZMVEIRTSA-N 2 1 338.496 1.412 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)C1 ZINC000372342535 156344740 /nfs/dbraw/zinc/34/47/40/156344740.db2.gz VCBDDFKVKXONAW-HZMVEIRTSA-N 2 1 338.496 1.412 20 0 EDADMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843775 157029580 /nfs/dbraw/zinc/02/95/80/157029580.db2.gz HHEDNTKKZMHFLD-AQNXPRMDSA-N 2 1 344.503 1.699 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000374417197 157283825 /nfs/dbraw/zinc/28/38/25/157283825.db2.gz BSYWVPJHYWMSIO-GJZGRUSLSA-N 2 1 325.522 1.995 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nccn(C)c1=O ZINC000378031610 158060936 /nfs/dbraw/zinc/06/09/36/158060936.db2.gz JKLIAWWVHAIYGY-UHFFFAOYSA-N 2 1 347.507 1.413 20 0 EDADMP CCCC[C@@H](C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000352397773 162162065 /nfs/dbraw/zinc/16/20/65/162162065.db2.gz LTUYLFMXEYVTBG-IAGOWNOFSA-N 2 1 327.513 1.970 20 0 EDADMP CCCC[C@@H](C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000352397773 162162070 /nfs/dbraw/zinc/16/20/70/162162070.db2.gz LTUYLFMXEYVTBG-IAGOWNOFSA-N 2 1 327.513 1.970 20 0 EDADMP CCCC[C@@H](C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000352397773 162162073 /nfs/dbraw/zinc/16/20/73/162162073.db2.gz LTUYLFMXEYVTBG-IAGOWNOFSA-N 2 1 327.513 1.970 20 0 EDADMP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352421466 162174849 /nfs/dbraw/zinc/17/48/49/162174849.db2.gz CQZRWVNIWSVQNI-SJORKVTESA-N 2 1 344.459 1.286 20 0 EDADMP CNC(=O)NC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352421466 162174850 /nfs/dbraw/zinc/17/48/50/162174850.db2.gz CQZRWVNIWSVQNI-SJORKVTESA-N 2 1 344.459 1.286 20 0 EDADMP CNC(=O)NC(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352421466 162174852 /nfs/dbraw/zinc/17/48/52/162174852.db2.gz CQZRWVNIWSVQNI-SJORKVTESA-N 2 1 344.459 1.286 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000073988510 287266833 /nfs/dbraw/zinc/26/68/33/287266833.db2.gz GBZNSRRQQKAQJE-LJQANCHMSA-N 2 1 344.503 1.995 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000074064824 287267391 /nfs/dbraw/zinc/26/73/91/287267391.db2.gz FREUGIZGOZEMPJ-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000665760290 452332260 /nfs/dbraw/zinc/33/22/60/452332260.db2.gz FCYXZPJSHWHZCH-XHSDSOJGSA-N 2 1 328.501 1.061 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000665760290 452332269 /nfs/dbraw/zinc/33/22/69/452332269.db2.gz FCYXZPJSHWHZCH-XHSDSOJGSA-N 2 1 328.501 1.061 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123489135 222285740 /nfs/dbraw/zinc/28/57/40/222285740.db2.gz WLUJSKXXDXTOAR-OLMNPRSZSA-N 2 1 349.475 1.799 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123489135 222285741 /nfs/dbraw/zinc/28/57/41/222285741.db2.gz WLUJSKXXDXTOAR-OLMNPRSZSA-N 2 1 349.475 1.799 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123489135 222285745 /nfs/dbraw/zinc/28/57/45/222285745.db2.gz WLUJSKXXDXTOAR-OLMNPRSZSA-N 2 1 349.475 1.799 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123489135 222285748 /nfs/dbraw/zinc/28/57/48/222285748.db2.gz WLUJSKXXDXTOAR-OLMNPRSZSA-N 2 1 349.475 1.799 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H](C)O1 ZINC000333414869 296940386 /nfs/dbraw/zinc/94/03/86/296940386.db2.gz RUEXVUORORFGAE-KLHDSHLOSA-N 2 1 338.496 1.125 20 0 EDADMP COc1cccc([C@@H](CNC(=O)N2CC[NH+](C)CC2)[NH+]2CCCC2)c1 ZINC000275489255 268350691 /nfs/dbraw/zinc/35/06/91/268350691.db2.gz SGXCLULPWAZFKU-GOSISDBHSA-N 2 1 346.475 1.789 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000283664755 273921417 /nfs/dbraw/zinc/92/14/17/273921417.db2.gz CCAQHKSSWLQONU-UHFFFAOYSA-N 2 1 349.479 1.077 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284046155 274060008 /nfs/dbraw/zinc/06/00/08/274060008.db2.gz QFMGZUOGZGGQTP-SFHVURJKSA-N 2 1 341.459 1.576 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000333671230 275898591 /nfs/dbraw/zinc/89/85/91/275898591.db2.gz YFQQRQNFPYWBIP-UHFFFAOYSA-N 2 1 343.537 1.653 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000105082621 276855313 /nfs/dbraw/zinc/85/53/13/276855313.db2.gz KWMJHUUOBFCOBV-SFHVURJKSA-N 2 1 330.476 1.649 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[NH2+]Cc2cncnc2)cc[nH+]1 ZINC000354935203 276904639 /nfs/dbraw/zinc/90/46/39/276904639.db2.gz PARKJMFVWDVAPS-KGLIPLIRSA-N 2 1 331.399 1.039 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)C2)C1 ZINC000418677918 277085767 /nfs/dbraw/zinc/08/57/67/277085767.db2.gz BMSUPGTWNFSVNV-NSHGMRRFSA-N 2 1 342.487 1.869 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000261693932 277109219 /nfs/dbraw/zinc/10/92/19/277109219.db2.gz FCCUYRIXBKPRHT-RTBURBONSA-N 2 1 344.503 1.425 20 0 EDADMP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000332633393 277221556 /nfs/dbraw/zinc/22/15/56/277221556.db2.gz ZLRVIXVLOWUMFF-HZPDHXFCSA-N 2 1 343.537 1.796 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000347042415 277226707 /nfs/dbraw/zinc/22/67/07/277226707.db2.gz KQZKTZWOQXPQIM-BBWFWOEESA-N 2 1 340.512 1.374 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000347042415 277226709 /nfs/dbraw/zinc/22/67/09/277226709.db2.gz KQZKTZWOQXPQIM-BBWFWOEESA-N 2 1 340.512 1.374 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000347042415 277226711 /nfs/dbraw/zinc/22/67/11/277226711.db2.gz KQZKTZWOQXPQIM-BBWFWOEESA-N 2 1 340.512 1.374 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417024468 277292953 /nfs/dbraw/zinc/29/29/53/277292953.db2.gz QKFIBGSTUVHILF-FUHWJXTLSA-N 2 1 347.507 1.272 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000417024468 277292954 /nfs/dbraw/zinc/29/29/54/277292954.db2.gz QKFIBGSTUVHILF-FUHWJXTLSA-N 2 1 347.507 1.272 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000417024468 277292956 /nfs/dbraw/zinc/29/29/56/277292956.db2.gz QKFIBGSTUVHILF-FUHWJXTLSA-N 2 1 347.507 1.272 20 0 EDADMP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000131822205 278109570 /nfs/dbraw/zinc/10/95/70/278109570.db2.gz SACVDSRUCZLPMZ-IRXDYDNUSA-N 2 1 343.537 1.608 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+]1CCOC)c1ccccc1 ZINC000343835719 279045627 /nfs/dbraw/zinc/04/56/27/279045627.db2.gz SGMTTWQCZXIXDI-ROUUACIJSA-N 2 1 333.476 1.906 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+]1CCOC)c1ccccc1 ZINC000343835719 279045628 /nfs/dbraw/zinc/04/56/28/279045628.db2.gz SGMTTWQCZXIXDI-ROUUACIJSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)c1ccccc1 ZINC000343835719 279045629 /nfs/dbraw/zinc/04/56/29/279045629.db2.gz SGMTTWQCZXIXDI-ROUUACIJSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCOC)c1ccccc1 ZINC000343835719 279045630 /nfs/dbraw/zinc/04/56/30/279045630.db2.gz SGMTTWQCZXIXDI-ROUUACIJSA-N 2 1 333.476 1.906 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)C1 ZINC000368986745 279320490 /nfs/dbraw/zinc/32/04/90/279320490.db2.gz LCADBMTUBFGWBS-YESZJQIVSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000287193971 288177441 /nfs/dbraw/zinc/17/74/41/288177441.db2.gz OGCXOXPVLYRMQX-DLBZAZTESA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000287193971 288177443 /nfs/dbraw/zinc/17/74/43/288177443.db2.gz OGCXOXPVLYRMQX-DLBZAZTESA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000287193971 288177446 /nfs/dbraw/zinc/17/74/46/288177446.db2.gz OGCXOXPVLYRMQX-DLBZAZTESA-N 2 1 348.491 1.215 20 0 EDADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000360911837 280093799 /nfs/dbraw/zinc/09/37/99/280093799.db2.gz GRTRUIWJUSAPPF-QRQLOZEOSA-N 2 1 349.519 1.699 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000344161608 281908806 /nfs/dbraw/zinc/90/88/06/281908806.db2.gz GTJHRQPFNVXJEG-NXHRZFHOSA-N 2 1 337.508 1.722 20 0 EDADMP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)Cc2ccccc2C1 ZINC000262041156 282044405 /nfs/dbraw/zinc/04/44/05/282044405.db2.gz YNSKAVOBNMBXBM-XUVXKRRUSA-N 2 1 343.515 1.832 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000363356923 282059461 /nfs/dbraw/zinc/05/94/61/282059461.db2.gz VLNIMBWTOBGBNA-YOEHRIQHSA-N 2 1 344.459 2.000 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)cc1 ZINC000363356923 282059463 /nfs/dbraw/zinc/05/94/63/282059463.db2.gz VLNIMBWTOBGBNA-YOEHRIQHSA-N 2 1 344.459 2.000 20 0 EDADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000289846955 288790110 /nfs/dbraw/zinc/79/01/10/288790110.db2.gz FPCHGLQDGUVMRI-GJZGRUSLSA-N 2 1 325.840 1.567 20 0 EDADMP C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000291648615 289137987 /nfs/dbraw/zinc/13/79/87/289137987.db2.gz BRXGGRYVISWDMD-PBHICJAKSA-N 2 1 336.455 1.181 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000370601990 289292314 /nfs/dbraw/zinc/29/23/14/289292314.db2.gz CINIWQDOXWQUFU-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)[C@H](C)CO ZINC000292267267 289302000 /nfs/dbraw/zinc/30/20/00/289302000.db2.gz RVJYPCZJTZDTTD-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[C@H](C)CO ZINC000292267267 289302002 /nfs/dbraw/zinc/30/20/02/289302002.db2.gz RVJYPCZJTZDTTD-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@H](C)CO ZINC000292267267 289302004 /nfs/dbraw/zinc/30/20/04/289302004.db2.gz RVJYPCZJTZDTTD-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1OCCc2sccc21 ZINC000292533653 289374133 /nfs/dbraw/zinc/37/41/33/289374133.db2.gz XGQGRVMDZUAXOR-CXAGYDPISA-N 2 1 337.489 1.504 20 0 EDADMP COC[C@]1(CNC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000417015500 293290042 /nfs/dbraw/zinc/29/00/42/293290042.db2.gz MOXNZSSVVNXAIK-YQQAZPJKSA-N 2 1 326.485 1.175 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H](C)O1 ZINC000333641232 297015379 /nfs/dbraw/zinc/01/53/79/297015379.db2.gz IHHBVMJMQOTRSN-OVYGPGRDSA-N 2 1 338.496 1.410 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000333939171 295319320 /nfs/dbraw/zinc/31/93/20/295319320.db2.gz NAAPWMHGWWOMDC-QZWWFDLISA-N 2 1 336.480 1.151 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)[NH+](C)C ZINC000416832033 295383536 /nfs/dbraw/zinc/38/35/36/295383536.db2.gz IDXYSYIXHVLASX-CRAIPNDOSA-N 2 1 334.464 1.678 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000261675550 297397461 /nfs/dbraw/zinc/39/74/61/297397461.db2.gz HKJSQTPEOYWKEL-BFYDXBDKSA-N 2 1 333.501 1.972 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cccc4nccn43)C2)CC1 ZINC000377707790 447306537 /nfs/dbraw/zinc/30/65/37/447306537.db2.gz VYGBWQCUTVUCKF-KRWDZBQOSA-N 2 1 327.476 1.936 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cccc4nccn43)C2)CC1 ZINC000377707790 447306544 /nfs/dbraw/zinc/30/65/44/447306544.db2.gz VYGBWQCUTVUCKF-KRWDZBQOSA-N 2 1 327.476 1.936 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000420315041 304749912 /nfs/dbraw/zinc/74/99/12/304749912.db2.gz ZLDCUYOXHSHJIE-KRWDZBQOSA-N 2 1 326.444 1.955 20 0 EDADMP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662525930 453247613 /nfs/dbraw/zinc/24/76/13/453247613.db2.gz MFQIWPVRFYEJSC-SMDDNHRTSA-N 2 1 340.265 1.907 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662525930 453247621 /nfs/dbraw/zinc/24/76/21/453247621.db2.gz MFQIWPVRFYEJSC-SMDDNHRTSA-N 2 1 340.265 1.907 20 0 EDADMP COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000295038053 303165801 /nfs/dbraw/zinc/16/58/01/303165801.db2.gz MICMDVRBSVYBLM-GOSISDBHSA-N 2 1 329.400 1.884 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000296480233 303319571 /nfs/dbraw/zinc/31/95/71/303319571.db2.gz WPMMXTQTJNQVMA-QGZVFWFLSA-N 2 1 334.464 1.717 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297176771 303368829 /nfs/dbraw/zinc/36/88/29/303368829.db2.gz WZFSQXXJOHEYNF-MQVJKMGUSA-N 2 1 331.460 1.982 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@H](C)C1 ZINC000448524949 447327874 /nfs/dbraw/zinc/32/78/74/447327874.db2.gz MLBDJSVNUBOARX-HIFRSBDPSA-N 2 1 336.484 1.358 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@H](C)C1 ZINC000448524949 447327877 /nfs/dbraw/zinc/32/78/77/447327877.db2.gz MLBDJSVNUBOARX-HIFRSBDPSA-N 2 1 336.484 1.358 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000458373989 447333823 /nfs/dbraw/zinc/33/38/23/447333823.db2.gz SGPBYHPHAROBRG-OAHLLOKOSA-N 2 1 331.420 1.244 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000414875787 447338463 /nfs/dbraw/zinc/33/84/63/447338463.db2.gz JSZMVFKGPGHUQN-UHFFFAOYSA-N 2 1 334.464 1.581 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC1CCC([NH+](C)C)CC1)n2C ZINC000421679136 304807961 /nfs/dbraw/zinc/80/79/61/304807961.db2.gz HRKYQYLLRINPOX-UHFFFAOYSA-N 2 1 344.463 1.637 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000414888959 447345073 /nfs/dbraw/zinc/34/50/73/447345073.db2.gz YJFFHSVTLOWUKB-UHFFFAOYSA-N 2 1 346.475 1.725 20 0 EDADMP [NH3+][C@@H]1C[C@H]([NH2+]CCN2C(=O)NC3(CCCC3)C2=O)c2ccccc21 ZINC000423048684 304884085 /nfs/dbraw/zinc/88/40/85/304884085.db2.gz IIJNDLHMJCQZFH-CABCVRRESA-N 2 1 328.416 1.585 20 0 EDADMP [NH3+]C1(CNC(=O)[C@@H]2CCC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000424017768 304925360 /nfs/dbraw/zinc/92/53/60/304925360.db2.gz HHGAEGILDBYYAY-QGZVFWFLSA-N 2 1 330.476 1.096 20 0 EDADMP [NH3+][C@H]1CCC[C@@H](C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000424039340 304925897 /nfs/dbraw/zinc/92/58/97/304925897.db2.gz NPMUYIUXSVDBEB-MSOLQXFVSA-N 2 1 344.503 1.614 20 0 EDADMP COCCOc1cc2c(cc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1)OCO2 ZINC000414895996 447347538 /nfs/dbraw/zinc/34/75/38/447347538.db2.gz AJDORRSHUKPEPP-SFHVURJKSA-N 2 1 336.432 1.920 20 0 EDADMP C[C@@H]1C[C@H]1[N@H+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000428994551 305022067 /nfs/dbraw/zinc/02/20/67/305022067.db2.gz FWUZBQKEILNYOC-GPMSIDNRSA-N 2 1 348.535 1.392 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2CC[N@@H+]2CCCOCC2)C[C@@H](C)O1 ZINC000429728229 305035990 /nfs/dbraw/zinc/03/59/90/305035990.db2.gz DUBVDSBSIVVXJW-KZNAEPCWSA-N 2 1 325.497 1.282 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2CC[N@H+]2CCCOCC2)C[C@@H](C)O1 ZINC000429728229 305035991 /nfs/dbraw/zinc/03/59/91/305035991.db2.gz DUBVDSBSIVVXJW-KZNAEPCWSA-N 2 1 325.497 1.282 20 0 EDADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cc(OC)cc(OC)c2)CC1 ZINC000430574681 305056747 /nfs/dbraw/zinc/05/67/47/305056747.db2.gz OQDIZHPJQAVMEU-UHFFFAOYSA-N 2 1 335.448 1.964 20 0 EDADMP [NH3+]CCCOC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000430584382 305057260 /nfs/dbraw/zinc/05/72/60/305057260.db2.gz YSOUEIWWVZAQIH-UHFFFAOYSA-N 2 1 345.896 1.848 20 0 EDADMP [NH3+]CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC1 ZINC000430598628 305057699 /nfs/dbraw/zinc/05/76/99/305057699.db2.gz DHOFOYLPLMGQDJ-UHFFFAOYSA-N 2 1 348.838 1.530 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000430597407 305057745 /nfs/dbraw/zinc/05/77/45/305057745.db2.gz LTHBXRNUBQNYOM-STQMWFEESA-N 2 1 325.403 1.683 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000430597407 305057746 /nfs/dbraw/zinc/05/77/46/305057746.db2.gz LTHBXRNUBQNYOM-STQMWFEESA-N 2 1 325.403 1.683 20 0 EDADMP CC(C)c1noc([C@@H](C)[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430602434 305058171 /nfs/dbraw/zinc/05/81/71/305058171.db2.gz HJUKAJXPRADTDF-KGLIPLIRSA-N 2 1 335.452 1.398 20 0 EDADMP CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430602434 305058172 /nfs/dbraw/zinc/05/81/72/305058172.db2.gz HJUKAJXPRADTDF-KGLIPLIRSA-N 2 1 335.452 1.398 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1F ZINC000430618479 305059454 /nfs/dbraw/zinc/05/94/54/305059454.db2.gz UPVSFAIHIFSTCC-ZFWWWQNUSA-N 2 1 337.439 1.852 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)cc1F ZINC000430618479 305059455 /nfs/dbraw/zinc/05/94/55/305059455.db2.gz UPVSFAIHIFSTCC-ZFWWWQNUSA-N 2 1 337.439 1.852 20 0 EDADMP CSc1ccc(OCC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430660434 305061724 /nfs/dbraw/zinc/06/17/24/305061724.db2.gz DHGKJRNKPZCUPM-CQSZACIVSA-N 2 1 337.489 1.574 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000430880203 305066879 /nfs/dbraw/zinc/06/68/79/305066879.db2.gz SEPNZNOZWFORBU-JKSUJKDBSA-N 2 1 344.459 1.465 20 0 EDADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]([NH3+])c1ccccc1 ZINC000430894253 305067256 /nfs/dbraw/zinc/06/72/56/305067256.db2.gz LYNUEJUOOMYOOW-USXIJHARSA-N 2 1 346.475 1.026 20 0 EDADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccnn2Cc2cccs2)CC1 ZINC000430943503 305069866 /nfs/dbraw/zinc/06/98/66/305069866.db2.gz PGVLMDISKXGSOL-ZDUSSCGKSA-N 2 1 347.488 1.991 20 0 EDADMP COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000430949507 305070184 /nfs/dbraw/zinc/07/01/84/305070184.db2.gz CSQILAKCXZTJED-ZBFHGGJFSA-N 2 1 347.459 1.648 20 0 EDADMP COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000430949507 305070185 /nfs/dbraw/zinc/07/01/85/305070185.db2.gz CSQILAKCXZTJED-ZBFHGGJFSA-N 2 1 347.459 1.648 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000430953487 305070562 /nfs/dbraw/zinc/07/05/62/305070562.db2.gz UALXWXQGFOYRSL-HIFRSBDPSA-N 2 1 335.448 1.331 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000430953487 305070563 /nfs/dbraw/zinc/07/05/63/305070563.db2.gz UALXWXQGFOYRSL-HIFRSBDPSA-N 2 1 335.448 1.331 20 0 EDADMP C[C@H]1C[N@H+](CCCNC(=O)C[NH+](C)Cc2ccccc2)CCCO1 ZINC000432566276 305093841 /nfs/dbraw/zinc/09/38/41/305093841.db2.gz BWSMPQUJCRZMME-KRWDZBQOSA-N 2 1 333.476 1.736 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)C[NH+](C)Cc2ccccc2)CCCO1 ZINC000432566276 305093842 /nfs/dbraw/zinc/09/38/42/305093842.db2.gz BWSMPQUJCRZMME-KRWDZBQOSA-N 2 1 333.476 1.736 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)C[N@H+](C)Cc2ccccc2)CCCO1 ZINC000432566276 305093843 /nfs/dbraw/zinc/09/38/43/305093843.db2.gz BWSMPQUJCRZMME-KRWDZBQOSA-N 2 1 333.476 1.736 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)C[N@@H+](C)Cc2ccccc2)CCCO1 ZINC000432566276 305093844 /nfs/dbraw/zinc/09/38/44/305093844.db2.gz BWSMPQUJCRZMME-KRWDZBQOSA-N 2 1 333.476 1.736 20 0 EDADMP Cc1c([C@H]2[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC(=O)N2C)cnn1C ZINC000433593375 305111370 /nfs/dbraw/zinc/11/13/70/305111370.db2.gz KFSXSFXTFKFQFK-MMNPAVHPSA-N 2 1 331.464 1.217 20 0 EDADMP Cc1c([C@H]2[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC(=O)N2C)cnn1C ZINC000433593375 305111371 /nfs/dbraw/zinc/11/13/71/305111371.db2.gz KFSXSFXTFKFQFK-MMNPAVHPSA-N 2 1 331.464 1.217 20 0 EDADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000434597240 305125167 /nfs/dbraw/zinc/12/51/67/305125167.db2.gz QEYQIVCOZIQNAL-OAHLLOKOSA-N 2 1 348.447 1.078 20 0 EDADMP CC[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]CC1 ZINC000435620052 305143674 /nfs/dbraw/zinc/14/36/74/305143674.db2.gz YWGWRXLVFUSCFQ-SJORKVTESA-N 2 1 331.460 1.570 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]CC1 ZINC000435620052 305143675 /nfs/dbraw/zinc/14/36/75/305143675.db2.gz YWGWRXLVFUSCFQ-SJORKVTESA-N 2 1 331.460 1.570 20 0 EDADMP C[NH2+]CCC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000435876925 305148800 /nfs/dbraw/zinc/14/88/00/305148800.db2.gz LSIKXXGPKWVEDC-MRXNPFEDSA-N 2 1 339.505 1.595 20 0 EDADMP C[NH2+]CCC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000435876925 305148801 /nfs/dbraw/zinc/14/88/01/305148801.db2.gz LSIKXXGPKWVEDC-MRXNPFEDSA-N 2 1 339.505 1.595 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCC(=O)N2CCC[C@@H]2C)CC1 ZINC000438721495 305188589 /nfs/dbraw/zinc/18/85/89/305188589.db2.gz JKFSIBAWDBYHEW-JKSUJKDBSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC[N@H+]1C ZINC000438888591 305190617 /nfs/dbraw/zinc/19/06/17/305190617.db2.gz DGONPEJXQIPNNH-LXZKKBNFSA-N 2 1 328.460 1.979 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442758958 305229677 /nfs/dbraw/zinc/22/96/77/305229677.db2.gz CAIMSJFMPBSUNA-PMPSAXMXSA-N 2 1 346.475 1.098 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000442877394 305230399 /nfs/dbraw/zinc/23/03/99/305230399.db2.gz UAOHFWYBNTYEHA-FZMZJTMJSA-N 2 1 347.431 1.173 20 0 EDADMP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443066524 305234337 /nfs/dbraw/zinc/23/43/37/305234337.db2.gz FIEHVSQSKJFKSC-AWEZNQCLSA-N 2 1 344.459 1.811 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC000444379031 305247636 /nfs/dbraw/zinc/24/76/36/305247636.db2.gz KZVPUMVNUTXGSL-MRXNPFEDSA-N 2 1 333.476 1.422 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC000444379031 305247637 /nfs/dbraw/zinc/24/76/37/305247637.db2.gz KZVPUMVNUTXGSL-MRXNPFEDSA-N 2 1 333.476 1.422 20 0 EDADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000444379031 305247638 /nfs/dbraw/zinc/24/76/38/305247638.db2.gz KZVPUMVNUTXGSL-MRXNPFEDSA-N 2 1 333.476 1.422 20 0 EDADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000444379031 305247639 /nfs/dbraw/zinc/24/76/39/305247639.db2.gz KZVPUMVNUTXGSL-MRXNPFEDSA-N 2 1 333.476 1.422 20 0 EDADMP CN(CCN1CCOC(C)(C)C1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000447656199 305283539 /nfs/dbraw/zinc/28/35/39/305283539.db2.gz JSRASUZEAMODHM-KRWDZBQOSA-N 2 1 337.508 1.963 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000449324790 305311481 /nfs/dbraw/zinc/31/14/81/305311481.db2.gz ZUPKEZVNPQNTSH-LJQANCHMSA-N 2 1 331.460 1.098 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCOC3CCC3)C2)CC1 ZINC000451528685 305351449 /nfs/dbraw/zinc/35/14/49/305351449.db2.gz LWUDPAOTJDZFIJ-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCOC3CCC3)C2)CC1 ZINC000451528685 305351450 /nfs/dbraw/zinc/35/14/50/305351450.db2.gz LWUDPAOTJDZFIJ-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCOC3CCC3)C2)CC1 ZINC000451528685 305351451 /nfs/dbraw/zinc/35/14/51/305351451.db2.gz LWUDPAOTJDZFIJ-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCOC3CCC3)C2)CC1 ZINC000451528685 305351452 /nfs/dbraw/zinc/35/14/52/305351452.db2.gz LWUDPAOTJDZFIJ-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CCCC[NH+]1CCO)c1ccccc1 ZINC000452389052 305397036 /nfs/dbraw/zinc/39/70/36/305397036.db2.gz LAWLTPAYARCVQE-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CCCC[NH+]1CCO)c1ccccc1 ZINC000452389052 305397037 /nfs/dbraw/zinc/39/70/37/305397037.db2.gz LAWLTPAYARCVQE-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccccc1 ZINC000452389052 305397038 /nfs/dbraw/zinc/39/70/38/305397038.db2.gz LAWLTPAYARCVQE-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CCO)c1ccccc1 ZINC000452389052 305397039 /nfs/dbraw/zinc/39/70/39/305397039.db2.gz LAWLTPAYARCVQE-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C2CC2)C[C@@H](C)C1 ZINC000458420726 447357087 /nfs/dbraw/zinc/35/70/87/447357087.db2.gz AUUGLGFMOXHIOU-OAHLLOKOSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000458420726 447357092 /nfs/dbraw/zinc/35/70/92/447357092.db2.gz AUUGLGFMOXHIOU-OAHLLOKOSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000458420726 447357098 /nfs/dbraw/zinc/35/70/98/447357098.db2.gz AUUGLGFMOXHIOU-OAHLLOKOSA-N 2 1 326.485 1.080 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)c3cccnc3)cn2)CC1 ZINC000514824072 305706460 /nfs/dbraw/zinc/70/64/60/305706460.db2.gz UNFRAKCXFDMNNB-UHFFFAOYSA-N 2 1 340.475 1.691 20 0 EDADMP COc1ncccc1NC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000516172257 305734420 /nfs/dbraw/zinc/73/44/20/305734420.db2.gz ITXPDFSWDXGAFW-UHFFFAOYSA-N 2 1 342.403 1.881 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)C(C)(C)C ZINC000458422236 447358154 /nfs/dbraw/zinc/35/81/54/447358154.db2.gz UBVXYQIGVHLXTJ-HOTGVXAUSA-N 2 1 342.528 1.499 20 0 EDADMP CCN1CCO[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)C1 ZINC000456333508 447363828 /nfs/dbraw/zinc/36/38/28/447363828.db2.gz LPDVNTGHKQIXMP-PKOBYXMFSA-N 2 1 345.487 1.688 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@H](C)C2)C1 ZINC000456333508 447363832 /nfs/dbraw/zinc/36/38/32/447363832.db2.gz LPDVNTGHKQIXMP-PKOBYXMFSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)C1 ZINC000456333508 447363840 /nfs/dbraw/zinc/36/38/40/447363840.db2.gz LPDVNTGHKQIXMP-PKOBYXMFSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)C1 ZINC000456333508 447363844 /nfs/dbraw/zinc/36/38/44/447363844.db2.gz LPDVNTGHKQIXMP-PKOBYXMFSA-N 2 1 345.487 1.688 20 0 EDADMP Cc1cc(NC(=O)N2CC[NH+](C3CC3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000530951123 305950029 /nfs/dbraw/zinc/95/00/29/305950029.db2.gz SXDUPETVOOELLX-UHFFFAOYSA-N 2 1 346.479 1.770 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C[N@@H+]1C ZINC000535824226 306017777 /nfs/dbraw/zinc/01/77/77/306017777.db2.gz MXJWFIAYWAZEEN-JTDSTZFVSA-N 2 1 331.460 1.174 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C[N@H+]1C ZINC000535824226 306017778 /nfs/dbraw/zinc/01/77/78/306017778.db2.gz MXJWFIAYWAZEEN-JTDSTZFVSA-N 2 1 331.460 1.174 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C[NH+]1C ZINC000535824226 306017779 /nfs/dbraw/zinc/01/77/79/306017779.db2.gz MXJWFIAYWAZEEN-JTDSTZFVSA-N 2 1 331.460 1.174 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C[NH+]1C ZINC000535824226 306017780 /nfs/dbraw/zinc/01/77/80/306017780.db2.gz MXJWFIAYWAZEEN-JTDSTZFVSA-N 2 1 331.460 1.174 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)CC(C)C ZINC000538687320 306032320 /nfs/dbraw/zinc/03/23/20/306032320.db2.gz SGASMDHMRXDWDQ-INIZCTEOSA-N 2 1 348.557 1.167 20 0 EDADMP CC[C@]1(O)CC[N@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000547649332 306106253 /nfs/dbraw/zinc/10/62/53/306106253.db2.gz MCZYIIXJAHMQQB-POAQFYNOSA-N 2 1 345.487 1.612 20 0 EDADMP CC[C@]1(O)CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000547649332 306106254 /nfs/dbraw/zinc/10/62/54/306106254.db2.gz MCZYIIXJAHMQQB-POAQFYNOSA-N 2 1 345.487 1.612 20 0 EDADMP CC[C@]1(O)CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000547649332 306106255 /nfs/dbraw/zinc/10/62/55/306106255.db2.gz MCZYIIXJAHMQQB-POAQFYNOSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@H+]1CC(C)(C)O ZINC000547727668 306110182 /nfs/dbraw/zinc/11/01/82/306110182.db2.gz SFKUNFZOLFYXMQ-OAHLLOKOSA-N 2 1 334.464 1.212 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548391273 306126289 /nfs/dbraw/zinc/12/62/89/306126289.db2.gz RAUVRGIODLDHGS-QGZVFWFLSA-N 2 1 339.443 1.723 20 0 EDADMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548391273 306126290 /nfs/dbraw/zinc/12/62/90/306126290.db2.gz RAUVRGIODLDHGS-QGZVFWFLSA-N 2 1 339.443 1.723 20 0 EDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000551100779 306155812 /nfs/dbraw/zinc/15/58/12/306155812.db2.gz DPWAFTVIRAOSHS-QGZVFWFLSA-N 2 1 335.473 1.563 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CC[NH2+]1 ZINC000414946684 447369390 /nfs/dbraw/zinc/36/93/90/447369390.db2.gz JTEQFDBEJAYEEK-RDJZCZTQSA-N 2 1 331.460 1.918 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000414949394 447371415 /nfs/dbraw/zinc/37/14/15/447371415.db2.gz ZHRGXNPLZQODQX-YOEHRIQHSA-N 2 1 346.475 1.580 20 0 EDADMP COCc1cnc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000414968039 447378396 /nfs/dbraw/zinc/37/83/96/447378396.db2.gz FJMVZVCEXJYVMK-LLVKDONJSA-N 2 1 338.399 1.215 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000414969864 447378827 /nfs/dbraw/zinc/37/88/27/447378827.db2.gz UHEVGBTUYKHXAS-KRWDZBQOSA-N 2 1 334.464 1.666 20 0 EDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000414983480 447383329 /nfs/dbraw/zinc/38/33/29/447383329.db2.gz UAVVJDYFWUITDF-HNNXBMFYSA-N 2 1 335.448 1.523 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000414985031 447385602 /nfs/dbraw/zinc/38/56/02/447385602.db2.gz MSDLBSXIKJIMSI-YOEHRIQHSA-N 2 1 346.475 1.978 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000098034472 441148001 /nfs/dbraw/zinc/14/80/01/441148001.db2.gz AVHJCNOZUBTURJ-YESZJQIVSA-N 2 1 342.528 1.620 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000105193205 441241576 /nfs/dbraw/zinc/24/15/76/441241576.db2.gz ZHGANNDGEVROTD-MRXNPFEDSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000081996883 441329976 /nfs/dbraw/zinc/32/99/76/441329976.db2.gz AKBYXGXNBFCXJJ-FUHWJXTLSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)[NH+](C)C ZINC000106458458 441345676 /nfs/dbraw/zinc/34/56/76/441345676.db2.gz AXIYYVALJPINKZ-LJQANCHMSA-N 2 1 346.519 1.636 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000062371906 441301607 /nfs/dbraw/zinc/30/16/07/441301607.db2.gz DINANZZJMOTINZ-LJQANCHMSA-N 2 1 345.487 1.860 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3)C2)CC1 ZINC000107370334 441414439 /nfs/dbraw/zinc/41/44/39/441414439.db2.gz VKMCCHLWGHUSRH-SFHVURJKSA-N 2 1 330.476 1.727 20 0 EDADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000074181364 441403943 /nfs/dbraw/zinc/40/39/43/441403943.db2.gz HHTWWFQMTIQBRS-WMZOPIPTSA-N 2 1 330.476 1.846 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000074181364 441403948 /nfs/dbraw/zinc/40/39/48/441403948.db2.gz HHTWWFQMTIQBRS-WMZOPIPTSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000074181364 441403953 /nfs/dbraw/zinc/40/39/53/441403953.db2.gz HHTWWFQMTIQBRS-WMZOPIPTSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000074181364 441403958 /nfs/dbraw/zinc/40/39/58/441403958.db2.gz HHTWWFQMTIQBRS-WMZOPIPTSA-N 2 1 330.476 1.846 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC(C)CC2)C1 ZINC000053099516 441498494 /nfs/dbraw/zinc/49/84/94/441498494.db2.gz KUTHZAIJJCHWER-DAWZGUTISA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2CCC(C)CC2)C1 ZINC000053099516 441498497 /nfs/dbraw/zinc/49/84/97/441498497.db2.gz KUTHZAIJJCHWER-DAWZGUTISA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C2CCC(C)CC2)C1 ZINC000053099516 441498499 /nfs/dbraw/zinc/49/84/99/441498499.db2.gz KUTHZAIJJCHWER-DAWZGUTISA-N 2 1 339.524 1.970 20 0 EDADMP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000114073475 441633020 /nfs/dbraw/zinc/63/30/20/441633020.db2.gz NACSJRZOVSYGCR-KRWDZBQOSA-N 2 1 346.475 1.791 20 0 EDADMP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000114073475 441633022 /nfs/dbraw/zinc/63/30/22/441633022.db2.gz NACSJRZOVSYGCR-KRWDZBQOSA-N 2 1 346.475 1.791 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000114074650 441634275 /nfs/dbraw/zinc/63/42/75/441634275.db2.gz XYTWMARXCQBPLA-KBXCAEBGSA-N 2 1 348.466 1.849 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000121492984 441716537 /nfs/dbraw/zinc/71/65/37/441716537.db2.gz WMMQRRIAAQAAFK-QGZVFWFLSA-N 2 1 349.523 1.214 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000173410330 441739887 /nfs/dbraw/zinc/73/98/87/441739887.db2.gz SZBQHDGSJYHNIK-KRWDZBQOSA-N 2 1 338.496 1.225 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000173410330 441739892 /nfs/dbraw/zinc/73/98/92/441739892.db2.gz SZBQHDGSJYHNIK-KRWDZBQOSA-N 2 1 338.496 1.225 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@@H]21 ZINC000158502412 441740942 /nfs/dbraw/zinc/74/09/42/441740942.db2.gz AWVWCYFABKFQDB-YJBOKZPZSA-N 3 1 334.508 1.146 20 0 EDADMP C[C@H](CNC(=O)NCCN1CCc2ccccc2C1)N1CCOCC1 ZINC000121953141 441818561 /nfs/dbraw/zinc/81/85/61/441818561.db2.gz YVOGVFKNTUASQB-MRXNPFEDSA-N 2 1 346.475 1.065 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000137512160 441772135 /nfs/dbraw/zinc/77/21/35/441772135.db2.gz MFQILNLSFIEFQR-PKOBYXMFSA-N 2 1 344.503 1.403 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000159133842 441790046 /nfs/dbraw/zinc/79/00/46/441790046.db2.gz XDPSSWNFNLZFND-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000159133842 441790056 /nfs/dbraw/zinc/79/00/56/441790056.db2.gz XDPSSWNFNLZFND-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CN(C)c1nc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000077488192 441791764 /nfs/dbraw/zinc/79/17/64/441791764.db2.gz DFXHHZNYQMZJMV-MRXNPFEDSA-N 2 1 327.432 1.374 20 0 EDADMP CN(C)c1nc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000077488192 441791766 /nfs/dbraw/zinc/79/17/66/441791766.db2.gz DFXHHZNYQMZJMV-MRXNPFEDSA-N 2 1 327.432 1.374 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1C ZINC000123057459 441873508 /nfs/dbraw/zinc/87/35/08/441873508.db2.gz WNWAPVKRUAZNAS-KBPBESRZSA-N 2 1 341.477 1.127 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1C ZINC000123057459 441873511 /nfs/dbraw/zinc/87/35/11/441873511.db2.gz WNWAPVKRUAZNAS-KBPBESRZSA-N 2 1 341.477 1.127 20 0 EDADMP C[C@H]1C[C@@H]([N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123057459 441873513 /nfs/dbraw/zinc/87/35/13/441873513.db2.gz WNWAPVKRUAZNAS-KBPBESRZSA-N 2 1 341.477 1.127 20 0 EDADMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123057459 441873515 /nfs/dbraw/zinc/87/35/15/441873515.db2.gz WNWAPVKRUAZNAS-KBPBESRZSA-N 2 1 341.477 1.127 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000078512071 441939760 /nfs/dbraw/zinc/93/97/60/441939760.db2.gz GNCHRLLXTPVZKM-INIZCTEOSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000151108936 442007556 /nfs/dbraw/zinc/00/75/56/442007556.db2.gz AYJWJHJVHMJZKH-HNNXBMFYSA-N 2 1 336.480 1.515 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079490967 442054263 /nfs/dbraw/zinc/05/42/63/442054263.db2.gz DJOFPKDAWGOWQU-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP C[C@@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)[N@@H+](C)C1CC1 ZINC000175732964 442113660 /nfs/dbraw/zinc/11/36/60/442113660.db2.gz SWGJXVJCAPNLRD-HNNXBMFYSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000151816313 442124932 /nfs/dbraw/zinc/12/49/32/442124932.db2.gz MZIRHUJOTGBORB-GOSISDBHSA-N 2 1 332.492 1.479 20 0 EDADMP CCN(C1CC[NH+](CCCCn2cc[nH+]c2C)CC1)S(C)(=O)=O ZINC000162963674 442134494 /nfs/dbraw/zinc/13/44/94/442134494.db2.gz DYPJZJLOCBNYFM-UHFFFAOYSA-N 2 1 342.509 1.718 20 0 EDADMP C[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000121081327 442174739 /nfs/dbraw/zinc/17/47/39/442174739.db2.gz OZBBZWBIDUWTOD-WBAXXEDZSA-N 2 1 331.460 1.651 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H](C)O1 ZINC000165562442 442209955 /nfs/dbraw/zinc/20/99/55/442209955.db2.gz SYGULPDLFRZVMW-ADHGMGHFSA-N 2 1 337.508 1.913 20 0 EDADMP CSCC[C@@H]([NH3+])C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000166614566 442217780 /nfs/dbraw/zinc/21/77/80/442217780.db2.gz ZRWLVXQTBOLTDE-OWCLPIDISA-N 2 1 342.553 1.084 20 0 EDADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152476051 442218080 /nfs/dbraw/zinc/21/80/80/442218080.db2.gz GEBSKKDUMAJSRD-KGLIPLIRSA-N 2 1 337.489 1.730 20 0 EDADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000166761962 442218593 /nfs/dbraw/zinc/21/85/93/442218593.db2.gz MAXAHOQVXYWHJU-HNNXBMFYSA-N 2 1 344.459 1.402 20 0 EDADMP CC[NH+]1CCN(C(=O)NCc2ccc(-n3ccnc3C)nc2)CC1 ZINC000127711359 442221006 /nfs/dbraw/zinc/22/10/06/442221006.db2.gz VKSJJKVPUSVIAF-UHFFFAOYSA-N 2 1 328.420 1.423 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H](N)c2ccccc2OC)CC[N@@H+]1CCOC ZINC000168062338 442223015 /nfs/dbraw/zinc/22/30/15/442223015.db2.gz LJIBMLGWKVAMCW-RHSMWYFYSA-N 2 1 335.448 1.264 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H](N)c2ccccc2OC)CC[N@H+]1CCOC ZINC000168062338 442223016 /nfs/dbraw/zinc/22/30/16/442223016.db2.gz LJIBMLGWKVAMCW-RHSMWYFYSA-N 2 1 335.448 1.264 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000128651112 442280037 /nfs/dbraw/zinc/28/00/37/442280037.db2.gz RDANIYHFQJIWEP-IAGOWNOFSA-N 2 1 345.491 1.193 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1C ZINC000153070178 442259759 /nfs/dbraw/zinc/25/97/59/442259759.db2.gz YODBPERFRXYYND-KBPBESRZSA-N 2 1 326.462 1.541 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1C ZINC000153070178 442259760 /nfs/dbraw/zinc/25/97/60/442259760.db2.gz YODBPERFRXYYND-KBPBESRZSA-N 2 1 326.462 1.541 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)(O)CC1 ZINC000177314884 442328234 /nfs/dbraw/zinc/32/82/34/442328234.db2.gz KLEWFIDGXZETBJ-AEFFLSMTSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)(O)CC1 ZINC000177314884 442328237 /nfs/dbraw/zinc/32/82/37/442328237.db2.gz KLEWFIDGXZETBJ-AEFFLSMTSA-N 2 1 345.487 1.612 20 0 EDADMP COC(=O)[C@]1(C)CC[NH+](CC(C)C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000177422929 442339458 /nfs/dbraw/zinc/33/94/58/442339458.db2.gz UPJYSWGLNNYGQF-QZTJIDSGSA-N 2 1 340.464 1.393 20 0 EDADMP CC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000130541306 442349269 /nfs/dbraw/zinc/34/92/69/442349269.db2.gz UYGDQDHMDFXLTE-HZPDHXFCSA-N 2 1 332.448 1.529 20 0 EDADMP CCC[C@H]([NH3+])C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000178855891 442503955 /nfs/dbraw/zinc/50/39/55/442503955.db2.gz UVJOHVDNHJWPHL-INIZCTEOSA-N 2 1 332.448 1.069 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000178856641 442504933 /nfs/dbraw/zinc/50/49/33/442504933.db2.gz FMYVEDVWGPGCII-SOLBZPMBSA-N 2 1 337.508 1.724 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NCC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC000187015018 442645395 /nfs/dbraw/zinc/64/53/95/442645395.db2.gz FPCBAJSWESHXOO-HIFRSBDPSA-N 2 1 338.452 1.648 20 0 EDADMP C[N@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)C[C@H]2C1 ZINC000192480474 442651991 /nfs/dbraw/zinc/65/19/91/442651991.db2.gz UGZJLVJYNAFTFZ-FGTMMUONSA-N 2 1 345.512 1.797 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)C[C@H]2C1 ZINC000192480474 442651993 /nfs/dbraw/zinc/65/19/93/442651993.db2.gz UGZJLVJYNAFTFZ-FGTMMUONSA-N 2 1 345.512 1.797 20 0 EDADMP CCOC(=O)[C@@H](C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000192843819 442692086 /nfs/dbraw/zinc/69/20/86/442692086.db2.gz BTIRFQCMTADMKF-MRXNPFEDSA-N 2 1 325.497 1.819 20 0 EDADMP CCOC(=O)[C@@H](C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000192843819 442692088 /nfs/dbraw/zinc/69/20/88/442692088.db2.gz BTIRFQCMTADMKF-MRXNPFEDSA-N 2 1 325.497 1.819 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000187945559 442699254 /nfs/dbraw/zinc/69/92/54/442699254.db2.gz MKAFEIKSBDUKBE-RBUKOAKNSA-N 2 1 345.487 1.734 20 0 EDADMP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1C[NH2+]CCO1 ZINC000188070185 442707741 /nfs/dbraw/zinc/70/77/41/442707741.db2.gz DXEBXVPWZGLTKL-JKSUJKDBSA-N 2 1 337.851 1.582 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000187286336 442667569 /nfs/dbraw/zinc/66/75/69/442667569.db2.gz MEQKIXPOHMHQBA-CQSZACIVSA-N 2 1 338.496 1.100 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000246264591 442767887 /nfs/dbraw/zinc/76/78/87/442767887.db2.gz LISCCSXTUIVHCP-HZMVEIRTSA-N 2 1 325.497 1.757 20 0 EDADMP C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000246333542 442773189 /nfs/dbraw/zinc/77/31/89/442773189.db2.gz IILOWIOBYQOJGV-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188768830 442808928 /nfs/dbraw/zinc/80/89/28/442808928.db2.gz WVRJAPCJAYFHDP-CQSZACIVSA-N 2 1 339.443 1.402 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188768830 442808935 /nfs/dbraw/zinc/80/89/35/442808935.db2.gz WVRJAPCJAYFHDP-CQSZACIVSA-N 2 1 339.443 1.402 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000247305036 442846270 /nfs/dbraw/zinc/84/62/70/442846270.db2.gz PUCWJEMNHZLCQS-SOLBZPMBSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000247305036 442846274 /nfs/dbraw/zinc/84/62/74/442846274.db2.gz PUCWJEMNHZLCQS-SOLBZPMBSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000247305036 442846279 /nfs/dbraw/zinc/84/62/79/442846279.db2.gz PUCWJEMNHZLCQS-SOLBZPMBSA-N 2 1 337.508 1.866 20 0 EDADMP CN(Cc1cnc(N2CC[NH+](C)CC2)nc1)CC1([NH+](C)C)CCC1 ZINC000189004888 442858984 /nfs/dbraw/zinc/85/89/84/442858984.db2.gz VQQOYOBDPRWMLP-UHFFFAOYSA-N 2 1 332.496 1.145 20 0 EDADMP CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)cn1 ZINC000265649411 442862990 /nfs/dbraw/zinc/86/29/90/442862990.db2.gz XBQMZDXOJGZXCH-MRXNPFEDSA-N 2 1 349.479 1.448 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000268139996 442865189 /nfs/dbraw/zinc/86/51/89/442865189.db2.gz QSGHNYVZHPCUFP-SUMDDJOVSA-N 2 1 344.503 1.941 20 0 EDADMP Cc1ccccc1NC(=O)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182950003 442852846 /nfs/dbraw/zinc/85/28/46/442852846.db2.gz BHDLIXYVHMAGNG-UHFFFAOYSA-N 2 1 332.492 1.893 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000194472400 442903125 /nfs/dbraw/zinc/90/31/25/442903125.db2.gz RPWHDZHDLNBCQW-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CCN(c2nccn2C)CC1)c1ccccc1 ZINC000265745166 442904322 /nfs/dbraw/zinc/90/43/22/442904322.db2.gz HGHSRRCIRUDXCB-KRWDZBQOSA-N 2 1 341.459 1.762 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCNS(C)(=O)=O ZINC000248941680 442938992 /nfs/dbraw/zinc/93/89/92/442938992.db2.gz CUBQEDHSPLIEGR-QLPKVWCKSA-N 2 1 339.505 1.282 20 0 EDADMP CC1CC[NH+](CCNC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000194843063 442959729 /nfs/dbraw/zinc/95/97/29/442959729.db2.gz IYGXYOWZKLBJOM-CALCHBBNSA-N 2 1 340.512 1.469 20 0 EDADMP CC1CC[NH+](CCNC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000194843063 442959735 /nfs/dbraw/zinc/95/97/35/442959735.db2.gz IYGXYOWZKLBJOM-CALCHBBNSA-N 2 1 340.512 1.469 20 0 EDADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265898880 442962375 /nfs/dbraw/zinc/96/23/75/442962375.db2.gz MZLMMWSHWOEUSB-RBUKOAKNSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265898880 442962378 /nfs/dbraw/zinc/96/23/78/442962378.db2.gz MZLMMWSHWOEUSB-RBUKOAKNSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265898880 442962385 /nfs/dbraw/zinc/96/23/85/442962385.db2.gz MZLMMWSHWOEUSB-RBUKOAKNSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265898880 442962389 /nfs/dbraw/zinc/96/23/89/442962389.db2.gz MZLMMWSHWOEUSB-RBUKOAKNSA-N 2 1 345.487 1.688 20 0 EDADMP Cc1cc2ncn(C[C@H](O)C[N@@H+](CC(N)=O)C(C)(C)C)c2cc1C ZINC000268466671 442998882 /nfs/dbraw/zinc/99/88/82/442998882.db2.gz GVULYCMCVWIEOQ-AWEZNQCLSA-N 2 1 332.448 1.600 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000195021007 442977313 /nfs/dbraw/zinc/97/73/13/442977313.db2.gz GISZJLGSAQZTQD-JONQDZQNSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000195021007 442977315 /nfs/dbraw/zinc/97/73/15/442977315.db2.gz GISZJLGSAQZTQD-JONQDZQNSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000195021007 442977316 /nfs/dbraw/zinc/97/73/16/442977316.db2.gz GISZJLGSAQZTQD-JONQDZQNSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000195021007 442977317 /nfs/dbraw/zinc/97/73/17/442977317.db2.gz GISZJLGSAQZTQD-JONQDZQNSA-N 2 1 338.496 1.362 20 0 EDADMP CC[C@@]1(CO)CCC[NH+]1CCOCC[N@@H+]1CCC[C@@]1(CC)CO ZINC000189610417 442984991 /nfs/dbraw/zinc/98/49/91/442984991.db2.gz GRYXEUUSCAGHSP-ROUUACIJSA-N 2 1 328.497 1.477 20 0 EDADMP CC[N@H+]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000266094091 443015576 /nfs/dbraw/zinc/01/55/76/443015576.db2.gz FSRVGEUBXQBBOO-UHFFFAOYSA-N 2 1 344.503 1.753 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000184393194 443016778 /nfs/dbraw/zinc/01/67/78/443016778.db2.gz MPJBSJQKUZGYPG-INIZCTEOSA-N 2 1 332.492 1.504 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O)c1ccccc1 ZINC000184583830 443044609 /nfs/dbraw/zinc/04/46/09/443044609.db2.gz YTPOYEUXZISUMG-JTUYAUNFSA-N 2 1 345.487 1.498 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000185110426 443139930 /nfs/dbraw/zinc/13/99/30/443139930.db2.gz GQFHFUPKLUZLDS-INIZCTEOSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000185110426 443139933 /nfs/dbraw/zinc/13/99/33/443139933.db2.gz GQFHFUPKLUZLDS-INIZCTEOSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[C@H]1CCC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236663888 443142902 /nfs/dbraw/zinc/14/29/02/443142902.db2.gz KXFBTIOJLBNPFK-TWMKSMIVSA-N 2 1 325.497 1.626 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[C@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236663888 443142906 /nfs/dbraw/zinc/14/29/06/443142906.db2.gz KXFBTIOJLBNPFK-TWMKSMIVSA-N 2 1 325.497 1.626 20 0 EDADMP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000236677798 443143294 /nfs/dbraw/zinc/14/32/94/443143294.db2.gz SMCQGPGHMGJAOD-GFCCVEGCSA-N 2 1 339.402 1.473 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c2ccccc2)CC1 ZINC000184939616 443103038 /nfs/dbraw/zinc/10/30/38/443103038.db2.gz RKXOAMSFCQKLQB-RDGPPVDQSA-N 2 1 342.487 1.171 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000268823667 443119381 /nfs/dbraw/zinc/11/93/81/443119381.db2.gz OSJLSXJRHBVJEI-YJBOKZPZSA-N 2 1 331.460 1.589 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000268856879 443128567 /nfs/dbraw/zinc/12/85/67/443128567.db2.gz LMSLAUFEFDPVHY-ZDUSSCGKSA-N 2 1 336.461 1.841 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000190683505 443164098 /nfs/dbraw/zinc/16/40/98/443164098.db2.gz DFNUXMFFWVPYON-QGZVFWFLSA-N 2 1 345.491 1.639 20 0 EDADMP O=C(CCN1CCO[C@H](c2ccccc2Cl)C1)N1CCNCC1 ZINC000261957746 443176016 /nfs/dbraw/zinc/17/60/16/443176016.db2.gz AHMSHORBJIKIGN-INIZCTEOSA-N 2 1 337.851 1.535 20 0 EDADMP COCC1(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000262419445 443194575 /nfs/dbraw/zinc/19/45/75/443194575.db2.gz UTHKGKQOKGICQF-IYBDPMFKSA-N 2 1 325.497 1.487 20 0 EDADMP CC(C)C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000245483879 443230844 /nfs/dbraw/zinc/23/08/44/443230844.db2.gz GHDZOIQDIZOPIY-MSOLQXFVSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000245483879 443230849 /nfs/dbraw/zinc/23/08/49/443230849.db2.gz GHDZOIQDIZOPIY-MSOLQXFVSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000245483879 443230854 /nfs/dbraw/zinc/23/08/54/443230854.db2.gz GHDZOIQDIZOPIY-MSOLQXFVSA-N 2 1 339.524 1.827 20 0 EDADMP Cc1c(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000262678300 443207166 /nfs/dbraw/zinc/20/71/66/443207166.db2.gz UONYNODBCNMLCW-KBPBESRZSA-N 2 1 348.495 1.361 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000269261899 443256162 /nfs/dbraw/zinc/25/61/62/443256162.db2.gz MVLBKLIPMXQMPM-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414064055 319314930 /nfs/dbraw/zinc/31/49/30/319314930.db2.gz FHQORNRUNKEDBX-STQMWFEESA-N 2 1 342.281 1.931 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC000414671876 319339466 /nfs/dbraw/zinc/33/94/66/319339466.db2.gz GWUBIFZDIQJVIY-DOTOQJQBSA-N 2 1 333.501 1.974 20 0 EDADMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414684371 319342174 /nfs/dbraw/zinc/34/21/74/319342174.db2.gz VITMMBCCBXIZAC-MGPQQGTHSA-N 2 1 325.478 1.715 20 0 EDADMP c1ccc(OCCN2CCOCC2)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000415082539 319345842 /nfs/dbraw/zinc/34/58/42/319345842.db2.gz ONOLMMAEGLSONS-SFHVURJKSA-N 2 1 333.476 1.629 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2ncccc2C[NH3+])C[C@@H](C)O1 ZINC000416001480 319389286 /nfs/dbraw/zinc/38/92/86/319389286.db2.gz ZESXLHQCYLKJPO-CHWSQXEVSA-N 2 1 335.452 1.550 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246126118 443270221 /nfs/dbraw/zinc/27/02/21/443270221.db2.gz AMVGXUNUALRWGP-OWCLPIDISA-N 2 1 342.528 1.761 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000416849591 319466343 /nfs/dbraw/zinc/46/63/43/319466343.db2.gz YFTPZFHJXXSSCP-LLVKDONJSA-N 2 1 332.420 1.778 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)cc1 ZINC000264509700 443311376 /nfs/dbraw/zinc/31/13/76/443311376.db2.gz LGXUERZXBSAOPD-GOSISDBHSA-N 2 1 333.476 1.979 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)N1CCc2ccccc21 ZINC000266946322 443299377 /nfs/dbraw/zinc/29/93/77/443299377.db2.gz SKRGMKJQGQTZOG-UHFFFAOYSA-N 2 1 344.503 1.535 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH+](C)CCN2C)cc1)C(C)C ZINC000264700837 443381186 /nfs/dbraw/zinc/38/11/86/443381186.db2.gz DBGPDNDXBNAWIA-LJQANCHMSA-N 2 1 346.519 1.893 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1)C(C)C ZINC000264700837 443381189 /nfs/dbraw/zinc/38/11/89/443381189.db2.gz DBGPDNDXBNAWIA-LJQANCHMSA-N 2 1 346.519 1.893 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1)C(C)C ZINC000264700837 443381193 /nfs/dbraw/zinc/38/11/93/443381193.db2.gz DBGPDNDXBNAWIA-LJQANCHMSA-N 2 1 346.519 1.893 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000272650323 443396117 /nfs/dbraw/zinc/39/61/17/443396117.db2.gz FFZZGFPHRQZSBH-CJNGLKHVSA-N 2 1 332.448 1.235 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000269689791 443397820 /nfs/dbraw/zinc/39/78/20/443397820.db2.gz NTBQUTDBUGQKGQ-CPUCHLNUSA-N 2 1 329.444 1.991 20 0 EDADMP O=CN1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000278828871 443455276 /nfs/dbraw/zinc/45/52/76/443455276.db2.gz TVASBWCJJBUCLL-LJQANCHMSA-N 2 1 331.460 1.354 20 0 EDADMP COc1ccc([C@@H](NCCC[NH+]2CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422728224 319733764 /nfs/dbraw/zinc/73/37/64/319733764.db2.gz FOJIHETVTYRPIT-RBUKOAKNSA-N 2 1 333.476 1.800 20 0 EDADMP COC(=O)c1ccc(C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000283046495 443505922 /nfs/dbraw/zinc/50/59/22/443505922.db2.gz IQODWZPASCOYBK-UHFFFAOYSA-N 2 1 333.432 1.069 20 0 EDADMP COC(=O)c1ccc(C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000283046495 443505926 /nfs/dbraw/zinc/50/59/26/443505926.db2.gz IQODWZPASCOYBK-UHFFFAOYSA-N 2 1 333.432 1.069 20 0 EDADMP CCOc1cccc(CNC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000430565973 319934499 /nfs/dbraw/zinc/93/44/99/319934499.db2.gz AYEQQUVJBNSHJS-UHFFFAOYSA-N 2 1 349.475 1.531 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3C[NH2+]CCO3)c2)C[C@H](C)O1 ZINC000444267988 320123258 /nfs/dbraw/zinc/12/32/58/320123258.db2.gz KYPOMHDVNSESIH-GRDNDAEWSA-N 2 1 333.432 1.223 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1)[NH+]1CCCCC1 ZINC000444358752 320127605 /nfs/dbraw/zinc/12/76/05/320127605.db2.gz ARNLTMAQJUMUIG-WMZOPIPTSA-N 2 1 339.524 1.801 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)F ZINC000449623047 320195383 /nfs/dbraw/zinc/19/53/83/320195383.db2.gz KYOLLRKDFLXXIA-HUUCEWRRSA-N 2 1 325.403 1.997 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)F ZINC000449623048 320195392 /nfs/dbraw/zinc/19/53/92/320195392.db2.gz KYOLLRKDFLXXIA-LSDHHAIUSA-N 2 1 325.403 1.997 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449643534 320196298 /nfs/dbraw/zinc/19/62/98/320196298.db2.gz IGFLXQWXLFONRS-JJTUDDRGSA-N 2 1 325.497 1.754 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449643534 320196300 /nfs/dbraw/zinc/19/63/00/320196300.db2.gz IGFLXQWXLFONRS-JJTUDDRGSA-N 2 1 325.497 1.754 20 0 EDADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000449728619 320202524 /nfs/dbraw/zinc/20/25/24/320202524.db2.gz WJTWOOMAMSTAFC-KURKYZTESA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000449728619 320202526 /nfs/dbraw/zinc/20/25/26/320202526.db2.gz WJTWOOMAMSTAFC-KURKYZTESA-N 2 1 331.460 1.521 20 0 EDADMP C[C@@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)C[NH+]1CCN(C)CC1 ZINC000454618911 320291726 /nfs/dbraw/zinc/29/17/26/320291726.db2.gz LWWPVSYYYGMLIB-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H](CNC(=O)NCCCC[N@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000454618911 320291727 /nfs/dbraw/zinc/29/17/27/320291727.db2.gz LWWPVSYYYGMLIB-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000454618911 320291728 /nfs/dbraw/zinc/29/17/28/320291728.db2.gz LWWPVSYYYGMLIB-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CCCCC1 ZINC000457441825 320326005 /nfs/dbraw/zinc/32/60/05/320326005.db2.gz UMZXQRUJKXSHMG-INIZCTEOSA-N 2 1 340.512 1.397 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CCCCC1 ZINC000457448285 320326373 /nfs/dbraw/zinc/32/63/73/320326373.db2.gz ZFTPGBWZWHDTTH-INIZCTEOSA-N 2 1 340.512 1.397 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)[N@@H+]1C ZINC000457469336 320327087 /nfs/dbraw/zinc/32/70/87/320327087.db2.gz CPBVRTHJMPVKKG-SOLBZPMBSA-N 2 1 332.492 1.893 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000457504481 320328656 /nfs/dbraw/zinc/32/86/56/320328656.db2.gz GUBHYEZFTZCAJQ-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000457504481 320328657 /nfs/dbraw/zinc/32/86/57/320328657.db2.gz GUBHYEZFTZCAJQ-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000457504481 320328658 /nfs/dbraw/zinc/32/86/58/320328658.db2.gz GUBHYEZFTZCAJQ-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 ZINC000276455374 443712389 /nfs/dbraw/zinc/71/23/89/443712389.db2.gz VHQWXZPAQCNYMF-LSDHHAIUSA-N 2 1 332.452 1.784 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCN(c4ccccn4)C3)C2)C1 ZINC000292786634 443843324 /nfs/dbraw/zinc/84/33/24/443843324.db2.gz YJNXURZGSHHGFE-QAPCUYQASA-N 2 1 329.448 1.398 20 0 EDADMP CCOCC[C@H](O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000277525577 444000174 /nfs/dbraw/zinc/00/01/74/444000174.db2.gz OHWUAIVOYOAXQB-FQEVSTJZSA-N 2 1 349.519 1.524 20 0 EDADMP COC[C@@H]1C[N@H+](CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000285364910 443956596 /nfs/dbraw/zinc/95/65/96/443956596.db2.gz QWEJLFWIYFKWJI-QUCCMNQESA-N 2 1 347.503 1.934 20 0 EDADMP COC[C@@H]1C[N@@H+](CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000285364910 443956602 /nfs/dbraw/zinc/95/66/02/443956602.db2.gz QWEJLFWIYFKWJI-QUCCMNQESA-N 2 1 347.503 1.934 20 0 EDADMP CN(Cc1cccs1)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000299557335 444079257 /nfs/dbraw/zinc/07/92/57/444079257.db2.gz GMGIWUULWXJLEY-UHFFFAOYSA-N 2 1 338.521 1.276 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc(F)cc3)C2)nn1 ZINC000561280104 321038925 /nfs/dbraw/zinc/03/89/25/321038925.db2.gz FDFMVTYZXFVOKC-INIZCTEOSA-N 2 1 346.410 1.542 20 0 EDADMP C[NH+]1CCN(c2cccc(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)n2)CC1 ZINC000562661653 321066725 /nfs/dbraw/zinc/06/67/25/321066725.db2.gz XFQAJZKKCDBBNH-INIZCTEOSA-N 2 1 345.491 1.295 20 0 EDADMP C[N@@H+](C[C@@H](O)CNCc1ccccc1C[NH+]1CCC[C@H]1CO)C1CC1 ZINC000563139085 321098380 /nfs/dbraw/zinc/09/83/80/321098380.db2.gz VJCBLBSEDRTKLQ-PMACEKPBSA-N 2 1 347.503 1.188 20 0 EDADMP C[NH+](C[C@@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000563139085 321098381 /nfs/dbraw/zinc/09/83/81/321098381.db2.gz VJCBLBSEDRTKLQ-PMACEKPBSA-N 2 1 347.503 1.188 20 0 EDADMP C[NH+](C[C@@H](O)CNCc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000563139085 321098382 /nfs/dbraw/zinc/09/83/82/321098382.db2.gz VJCBLBSEDRTKLQ-PMACEKPBSA-N 2 1 347.503 1.188 20 0 EDADMP CN(C[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000563139085 321098383 /nfs/dbraw/zinc/09/83/83/321098383.db2.gz VJCBLBSEDRTKLQ-PMACEKPBSA-N 2 1 347.503 1.188 20 0 EDADMP CN(C[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000563139085 321098385 /nfs/dbraw/zinc/09/83/85/321098385.db2.gz VJCBLBSEDRTKLQ-PMACEKPBSA-N 2 1 347.503 1.188 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000563692162 321112572 /nfs/dbraw/zinc/11/25/72/321112572.db2.gz LCQPGPJYWBITLU-BPQIPLTHSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000565183351 321174698 /nfs/dbraw/zinc/17/46/98/321174698.db2.gz VVFMYKHXAFDCQX-HNNXBMFYSA-N 2 1 325.522 1.806 20 0 EDADMP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3C)cc2)CC1 ZINC000299592747 444089312 /nfs/dbraw/zinc/08/93/12/444089312.db2.gz WMOQXHWOJGRTKD-GOSISDBHSA-N 2 1 330.476 1.857 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000568231761 321283529 /nfs/dbraw/zinc/28/35/29/321283529.db2.gz JNQOWQKVBCDAQX-FZCLSBEQSA-N 2 1 330.476 1.947 20 0 EDADMP OCC[C@@H]1CCC[NH+]1Cc1cncc(C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000568473948 321292777 /nfs/dbraw/zinc/29/27/77/321292777.db2.gz FJBNRXCTPZIXQC-OALUTQOASA-N 2 1 333.476 1.775 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000569001236 321314379 /nfs/dbraw/zinc/31/43/79/321314379.db2.gz YXSWUWSKOHFYNB-APWZRJJASA-N 2 1 331.460 1.081 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000569001236 321314380 /nfs/dbraw/zinc/31/43/80/321314380.db2.gz YXSWUWSKOHFYNB-APWZRJJASA-N 2 1 331.460 1.081 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000569001236 321314381 /nfs/dbraw/zinc/31/43/81/321314381.db2.gz YXSWUWSKOHFYNB-APWZRJJASA-N 2 1 331.460 1.081 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](COc3ccccc3)C2)C1 ZINC000569319000 321323923 /nfs/dbraw/zinc/32/39/23/321323923.db2.gz OOUZIPKXJZDKDK-IAGOWNOFSA-N 2 1 331.460 1.585 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000570815185 321359742 /nfs/dbraw/zinc/35/97/42/321359742.db2.gz FJQCNFFMUZCVFR-LFVTVUPYSA-N 2 1 328.460 1.666 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000570817370 321360153 /nfs/dbraw/zinc/36/01/53/321360153.db2.gz PHJGEATWBNVSOH-INIZCTEOSA-N 2 1 326.485 1.127 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571438804 321386943 /nfs/dbraw/zinc/38/69/43/321386943.db2.gz FTPLPSBIDZYUSU-WNHJNPCNSA-N 2 1 345.487 1.780 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571438804 321386944 /nfs/dbraw/zinc/38/69/44/321386944.db2.gz FTPLPSBIDZYUSU-WNHJNPCNSA-N 2 1 345.487 1.780 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1OC(F)F ZINC000572026529 321411766 /nfs/dbraw/zinc/41/17/66/321411766.db2.gz SIKIUEBAZHDFSN-SNVBAGLBSA-N 2 1 331.338 1.510 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C2CC2)nc1 ZINC000294614143 444129892 /nfs/dbraw/zinc/12/98/92/444129892.db2.gz QZWQBSOZBSFFKR-KRWDZBQOSA-N 2 1 345.491 1.842 20 0 EDADMP CN(c1ccccc1C[N@H+]1CCOC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000294798874 444144207 /nfs/dbraw/zinc/14/42/07/444144207.db2.gz MPRNIABBJLZYRX-GOSISDBHSA-N 2 1 333.476 1.410 20 0 EDADMP Cc1nc(C)c(C)c(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000301452577 444172516 /nfs/dbraw/zinc/17/25/16/444172516.db2.gz URRWHQBXNOFEPW-UHFFFAOYSA-N 2 1 331.464 1.536 20 0 EDADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000304409607 444248993 /nfs/dbraw/zinc/24/89/93/444248993.db2.gz UFWOKUMLGVAHDC-QQXKLLMISA-N 2 1 339.524 1.404 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCC[C@H](C)C2)CC1 ZINC000303241014 444235151 /nfs/dbraw/zinc/23/51/51/444235151.db2.gz BLFKXYWAZPWIEM-HOTGVXAUSA-N 2 1 325.497 1.270 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000310851131 444292751 /nfs/dbraw/zinc/29/27/51/444292751.db2.gz OLABSKSGTLRVBE-ICSRJNTNSA-N 2 1 345.487 1.641 20 0 EDADMP CC(C)C[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])[NH+]1CCOCC1 ZINC000323981946 444348669 /nfs/dbraw/zinc/34/86/69/444348669.db2.gz JJUZFYJMSWJWOH-BRWVUGGUSA-N 2 1 325.497 1.757 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000337725050 444376191 /nfs/dbraw/zinc/37/61/91/444376191.db2.gz LMRQIDGBPVYCJQ-HNNXBMFYSA-N 2 1 338.496 1.223 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000337725050 444376193 /nfs/dbraw/zinc/37/61/93/444376193.db2.gz LMRQIDGBPVYCJQ-HNNXBMFYSA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000337811693 444418734 /nfs/dbraw/zinc/41/87/34/444418734.db2.gz OIZPSVWUTNJLHN-GOEBONIOSA-N 2 1 328.526 1.455 20 0 EDADMP COc1cc2c(cc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)O[C@@H](C)C2 ZINC000326992444 444379478 /nfs/dbraw/zinc/37/94/78/444379478.db2.gz BHILWMGNQZVGNQ-KBPBESRZSA-N 2 1 347.459 1.306 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000331235188 444453433 /nfs/dbraw/zinc/45/34/33/444453433.db2.gz SVFNKAYTLNMMQN-MRXNPFEDSA-N 2 1 339.505 1.899 20 0 EDADMP CC[C@@H](O)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000579315178 321915859 /nfs/dbraw/zinc/91/58/59/321915859.db2.gz YDCGCLYZOHBHFL-GOSISDBHSA-N 2 1 339.524 1.802 20 0 EDADMP CN1CCN(c2ncc(C[N@H+]3CCC[C@@H]3[C@H]3CCCOC3)cn2)CC1 ZINC000580075382 322006492 /nfs/dbraw/zinc/00/64/92/322006492.db2.gz IUBVPLZXNCFSOX-ZWKOTPCHSA-N 2 1 345.491 1.619 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3[C@H]3CCCOC3)cn2)CC1 ZINC000580075382 322006496 /nfs/dbraw/zinc/00/64/96/322006496.db2.gz IUBVPLZXNCFSOX-ZWKOTPCHSA-N 2 1 345.491 1.619 20 0 EDADMP CC[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000580171432 322017470 /nfs/dbraw/zinc/01/74/70/322017470.db2.gz JSWFVEXQZDRHSX-MSOLQXFVSA-N 2 1 330.476 1.875 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)C[C@H]2C[C@@H](O)C2)cc[nH+]1 ZINC000580308936 322034499 /nfs/dbraw/zinc/03/44/99/322034499.db2.gz PLMWLNOALVODPJ-ZQDZILKHSA-N 2 1 337.443 1.162 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)C[C@H]2C[C@@H](O)C2)cc[nH+]1 ZINC000580308936 322034501 /nfs/dbraw/zinc/03/45/01/322034501.db2.gz PLMWLNOALVODPJ-ZQDZILKHSA-N 2 1 337.443 1.162 20 0 EDADMP C[C@@H]1CN(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@@]1(C)C[NH3+] ZINC000580823800 322100005 /nfs/dbraw/zinc/10/00/05/322100005.db2.gz ZWASHCJQDWYGAR-IIHSZXCVSA-N 2 1 334.508 1.972 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)[C@H]2CCC[C@H]21 ZINC000580908332 322111543 /nfs/dbraw/zinc/11/15/43/322111543.db2.gz IOONCURCKOEPJN-IXDOHACOSA-N 2 1 334.485 1.979 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000581983991 322240381 /nfs/dbraw/zinc/24/03/81/322240381.db2.gz KRCPBWFTSBKVJQ-ATZDWAIDSA-N 2 1 342.443 1.938 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342135910 444527635 /nfs/dbraw/zinc/52/76/35/444527635.db2.gz QOTORXZJBCQLCT-SZMVWBNQSA-N 2 1 331.460 1.549 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342135910 444527640 /nfs/dbraw/zinc/52/76/40/444527640.db2.gz QOTORXZJBCQLCT-SZMVWBNQSA-N 2 1 331.460 1.549 20 0 EDADMP C[C@H]1C[N@@H+](CCC(=O)N2CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000343706728 444533620 /nfs/dbraw/zinc/53/36/20/444533620.db2.gz HIQVZOPEUKIXRM-KRWDZBQOSA-N 2 1 336.524 1.489 20 0 EDADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)C[C@@H]1O ZINC000341006633 444627512 /nfs/dbraw/zinc/62/75/12/444627512.db2.gz HVEPVDJTKSQRRQ-LMMKCTJWSA-N 2 1 345.487 1.595 20 0 EDADMP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C[C@@H]1O ZINC000341006633 444627522 /nfs/dbraw/zinc/62/75/22/444627522.db2.gz HVEPVDJTKSQRRQ-LMMKCTJWSA-N 2 1 345.487 1.595 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCO[C@@H]2CCCCO2)CC1 ZINC000338275281 444605305 /nfs/dbraw/zinc/60/53/05/444605305.db2.gz PGCPCXWGVQXXJH-SJLPKXTDSA-N 2 1 328.497 1.944 20 0 EDADMP COC(=O)[C@H]1CCCCCC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338287709 444613118 /nfs/dbraw/zinc/61/31/18/444613118.db2.gz JMUCFWFUHJFILF-HOTGVXAUSA-N 2 1 339.480 1.252 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000333222363 444648863 /nfs/dbraw/zinc/64/88/63/444648863.db2.gz WIMRUTJYBDSHCF-INIZCTEOSA-N 2 1 348.495 2.146 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1C ZINC000333439129 444670841 /nfs/dbraw/zinc/67/08/41/444670841.db2.gz VUJWSLITMZJTBV-ZIAGYGMSSA-N 2 1 334.468 1.017 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333486752 444675891 /nfs/dbraw/zinc/67/58/91/444675891.db2.gz CUKKYMBTGHBEQI-ZGRYLRDCSA-N 2 1 337.512 1.114 20 0 EDADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccnc(N(C)C)n3)CC2)CC1 ZINC000341181849 444713831 /nfs/dbraw/zinc/71/38/31/444713831.db2.gz LLJXEJVJQBMVSS-UHFFFAOYSA-N 2 1 346.523 1.533 20 0 EDADMP CC1CCC(NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC000344034405 444741059 /nfs/dbraw/zinc/74/10/59/444741059.db2.gz RGQHTKVDIHAMCZ-UHFFFAOYSA-N 2 1 326.529 1.497 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000334049190 444761581 /nfs/dbraw/zinc/76/15/81/444761581.db2.gz ZRDYFBNQRJQNMC-CABCVRRESA-N 2 1 339.484 1.359 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C[C@H]1CC ZINC000342650459 444796961 /nfs/dbraw/zinc/79/69/61/444796961.db2.gz JOWCQKGQFPYAJW-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1CC ZINC000342650459 444796965 /nfs/dbraw/zinc/79/69/65/444796965.db2.gz JOWCQKGQFPYAJW-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1CC ZINC000342650459 444796970 /nfs/dbraw/zinc/79/69/70/444796970.db2.gz JOWCQKGQFPYAJW-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)C(=O)NC(C)(C)C ZINC000344173452 444821260 /nfs/dbraw/zinc/82/12/60/444821260.db2.gz UUIVEEFKJDRCEM-INIZCTEOSA-N 2 1 326.529 1.639 20 0 EDADMP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000336877687 444823550 /nfs/dbraw/zinc/82/35/50/444823550.db2.gz TUGSARZTXRWAEA-UHFFFAOYSA-N 2 1 335.404 1.184 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000344188533 444829798 /nfs/dbraw/zinc/82/97/98/444829798.db2.gz FZKXRUIKAZGIGN-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000344188533 444829800 /nfs/dbraw/zinc/82/98/00/444829800.db2.gz FZKXRUIKAZGIGN-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000344188533 444829802 /nfs/dbraw/zinc/82/98/02/444829802.db2.gz FZKXRUIKAZGIGN-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000344210834 444841902 /nfs/dbraw/zinc/84/19/02/444841902.db2.gz LXAYPMBWATUHHJ-CRAIPNDOSA-N 2 1 332.492 1.408 20 0 EDADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000344210834 444841906 /nfs/dbraw/zinc/84/19/06/444841906.db2.gz LXAYPMBWATUHHJ-CRAIPNDOSA-N 2 1 332.492 1.408 20 0 EDADMP COCCC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000342865038 444901093 /nfs/dbraw/zinc/90/10/93/444901093.db2.gz SHIYWAZVGVQYIQ-HNNXBMFYSA-N 2 1 329.466 1.107 20 0 EDADMP COCCC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000342865038 444901098 /nfs/dbraw/zinc/90/10/98/444901098.db2.gz SHIYWAZVGVQYIQ-HNNXBMFYSA-N 2 1 329.466 1.107 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000341759596 444988585 /nfs/dbraw/zinc/98/85/85/444988585.db2.gz HWMPFAUTWKBISP-YJBOKZPZSA-N 2 1 348.466 1.262 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000341759596 444988590 /nfs/dbraw/zinc/98/85/90/444988590.db2.gz HWMPFAUTWKBISP-YJBOKZPZSA-N 2 1 348.466 1.262 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000337362758 445048285 /nfs/dbraw/zinc/04/82/85/445048285.db2.gz JFGVKBCLIHWWFN-KRWDZBQOSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H]1CN(CC[N@@H+](C)C[C@H]2CCCN(C)[C@H]2c2cnn(C)c2)CCO1 ZINC000337420134 445072793 /nfs/dbraw/zinc/07/27/93/445072793.db2.gz PNFXMXUDYHHWCW-ZHALLVOQSA-N 2 1 349.523 1.456 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000337353673 445044644 /nfs/dbraw/zinc/04/46/44/445044644.db2.gz BXGABIIPRVEWAU-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000337353673 445044647 /nfs/dbraw/zinc/04/46/47/445044647.db2.gz BXGABIIPRVEWAU-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP Cn1nc(C(C)(C)C)cc1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330733861 445118201 /nfs/dbraw/zinc/11/82/01/445118201.db2.gz KGMDKPWNUUMKOS-UHFFFAOYSA-N 2 1 335.496 1.930 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)COc2ccccc2)CC1 ZINC000619177463 450422497 /nfs/dbraw/zinc/42/24/97/450422497.db2.gz JUNDOQXDHMILGD-UHFFFAOYSA-N 2 1 326.400 1.851 20 0 EDADMP CC[NH+]1CCN(c2cc(N3CC[N@H+](CC)C[C@H]3C)ncn2)[C@H](C)C1 ZINC000343247270 445159394 /nfs/dbraw/zinc/15/93/94/445159394.db2.gz GRRNLIJFQXPWNO-HZPDHXFCSA-N 2 1 332.496 1.537 20 0 EDADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)[C@@H]2COCCN2CC2CCC2)C[C@@H](C)C1 ZINC000346242148 445209059 /nfs/dbraw/zinc/20/90/59/445209059.db2.gz RKSFQSXQIQTJLF-NBMJBFSESA-N 2 1 349.519 1.676 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCC[N@H+]1C ZINC000345735021 445197485 /nfs/dbraw/zinc/19/74/85/445197485.db2.gz CYUWFZCGILCUQB-ZBFHGGJFSA-N 2 1 326.485 1.221 20 0 EDADMP CSC[C@H](O)C[N@@H+](C)C[C@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000346936983 445228283 /nfs/dbraw/zinc/22/82/83/445228283.db2.gz SHVOMRIEUSLSBL-IIAWOOMASA-N 2 1 326.510 1.459 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000348099732 445267909 /nfs/dbraw/zinc/26/79/09/445267909.db2.gz CRKWBWZJZQVQTM-CABCVRRESA-N 2 1 337.430 1.960 20 0 EDADMP CCOC(=O)COCC[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000351627932 445248065 /nfs/dbraw/zinc/24/80/65/445248065.db2.gz KTJIZJMGUSGUCV-OAHLLOKOSA-N 2 1 335.448 1.897 20 0 EDADMP CCOC(=O)COCC[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000351627932 445248068 /nfs/dbraw/zinc/24/80/68/445248068.db2.gz KTJIZJMGUSGUCV-OAHLLOKOSA-N 2 1 335.448 1.897 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)CCC(C)(C)O)cc[nH+]1 ZINC000348160886 445294636 /nfs/dbraw/zinc/29/46/36/445294636.db2.gz UQTYOKYDSRMJOW-KBPBESRZSA-N 2 1 339.459 1.552 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)CCC(C)(C)O)cc[nH+]1 ZINC000348160886 445294640 /nfs/dbraw/zinc/29/46/40/445294640.db2.gz UQTYOKYDSRMJOW-KBPBESRZSA-N 2 1 339.459 1.552 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000354691340 445342075 /nfs/dbraw/zinc/34/20/75/445342075.db2.gz OCZQXIONSKSRTR-DZVNLGKHSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000354691340 445342079 /nfs/dbraw/zinc/34/20/79/445342079.db2.gz OCZQXIONSKSRTR-DZVNLGKHSA-N 2 1 337.508 1.815 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000351858440 445345091 /nfs/dbraw/zinc/34/50/91/445345091.db2.gz DFGWPUVFIUOFAT-QWHCGFSZSA-N 2 1 332.473 1.624 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000351858440 445345093 /nfs/dbraw/zinc/34/50/93/445345093.db2.gz DFGWPUVFIUOFAT-QWHCGFSZSA-N 2 1 332.473 1.624 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2cccnc2)[C@@H](C)C1 ZINC000348684331 445347602 /nfs/dbraw/zinc/34/76/02/445347602.db2.gz PCGRTQDPWHAFBN-WDSOQIARSA-N 2 1 335.492 1.884 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCC[N@H+]1C ZINC000356999031 445368740 /nfs/dbraw/zinc/36/87/40/445368740.db2.gz UTLRTXBCPQCBNS-MRXNPFEDSA-N 2 1 325.403 1.949 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCC[N@H+]1C ZINC000356999030 445369115 /nfs/dbraw/zinc/36/91/15/445369115.db2.gz UTLRTXBCPQCBNS-INIZCTEOSA-N 2 1 325.403 1.949 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn2ccccc12 ZINC000348831742 445407184 /nfs/dbraw/zinc/40/71/84/445407184.db2.gz IRBNFYCEXWCGOJ-MRXNPFEDSA-N 2 1 343.475 1.822 20 0 EDADMP CC[N@H+](CCOCC[NH3+])CC(=O)Nc1ccccc1C(F)(F)F ZINC000357034100 445385476 /nfs/dbraw/zinc/38/54/76/445385476.db2.gz VIWCPPGCYOIJKU-UHFFFAOYSA-N 2 1 333.354 1.941 20 0 EDADMP CC[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccccc1C(F)(F)F ZINC000357034100 445385480 /nfs/dbraw/zinc/38/54/80/445385480.db2.gz VIWCPPGCYOIJKU-UHFFFAOYSA-N 2 1 333.354 1.941 20 0 EDADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000362471270 445399129 /nfs/dbraw/zinc/39/91/29/445399129.db2.gz RDWAABMAIBFIAX-ULQDDVLXSA-N 2 1 338.496 1.223 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000362471270 445399135 /nfs/dbraw/zinc/39/91/35/445399135.db2.gz RDWAABMAIBFIAX-ULQDDVLXSA-N 2 1 338.496 1.223 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362471270 445399138 /nfs/dbraw/zinc/39/91/38/445399138.db2.gz RDWAABMAIBFIAX-ULQDDVLXSA-N 2 1 338.496 1.223 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362471270 445399143 /nfs/dbraw/zinc/39/91/43/445399143.db2.gz RDWAABMAIBFIAX-ULQDDVLXSA-N 2 1 338.496 1.223 20 0 EDADMP C[NH+]1CCN(C(=O)C2CC[NH+](C/C=C\c3ccncc3)CC2)CC1 ZINC000348921551 445441860 /nfs/dbraw/zinc/44/18/60/445441860.db2.gz ODOOHEZAUNHXRA-IHWYPQMZSA-N 2 1 328.460 1.581 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[NH2+][C@@H]2CCSC2)cc[nH+]1 ZINC000348932214 445445759 /nfs/dbraw/zinc/44/57/59/445445759.db2.gz VPLKFQRJJHSYTR-UPJWGTAASA-N 2 1 325.457 1.555 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC([NH+](C)CCO)CC1 ZINC000359911132 445484137 /nfs/dbraw/zinc/48/41/37/445484137.db2.gz KTMIOFZBQPNGIW-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000359911132 445484139 /nfs/dbraw/zinc/48/41/39/445484139.db2.gz KTMIOFZBQPNGIW-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000359911132 445484141 /nfs/dbraw/zinc/48/41/41/445484141.db2.gz KTMIOFZBQPNGIW-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP C[C@@H](C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000357235387 445498254 /nfs/dbraw/zinc/49/82/54/445498254.db2.gz CTYKBYDILQWTSB-JKSUJKDBSA-N 2 1 330.476 1.169 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362802709 445556343 /nfs/dbraw/zinc/55/63/43/445556343.db2.gz VEMCCYRFPPTKFZ-ZBFHGGJFSA-N 2 1 331.464 1.554 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC000357599549 445569742 /nfs/dbraw/zinc/56/97/42/445569742.db2.gz NERWBAFVMCMPNY-SJLPKXTDSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000360138173 445590352 /nfs/dbraw/zinc/59/03/52/445590352.db2.gz ZRNXKISWUYMMGD-MRXNPFEDSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355941530 445538228 /nfs/dbraw/zinc/53/82/28/445538228.db2.gz LLDANAFRWFMKJB-KRWDZBQOSA-N 2 1 342.528 1.857 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000357305977 445538912 /nfs/dbraw/zinc/53/89/12/445538912.db2.gz LSADPBXJAYVZNS-UWVAXJGDSA-N 2 1 344.503 1.307 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000357305974 445538966 /nfs/dbraw/zinc/53/89/66/445538966.db2.gz LSADPBXJAYVZNS-FUHIMQAGSA-N 2 1 344.503 1.307 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000358308388 445616288 /nfs/dbraw/zinc/61/62/88/445616288.db2.gz IYPCBJOMEVWJKC-INIZCTEOSA-N 2 1 347.507 1.684 20 0 EDADMP COc1ccc2nc(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)[nH]c2n1 ZINC000353472750 445617703 /nfs/dbraw/zinc/61/77/03/445617703.db2.gz BLYZYADWOCWNAJ-CYBMUJFWSA-N 2 1 347.463 1.491 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358513118 445626026 /nfs/dbraw/zinc/62/60/26/445626026.db2.gz VYFNCRYOMFWOHD-HNNXBMFYSA-N 2 1 331.460 1.948 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000362972829 445634212 /nfs/dbraw/zinc/63/42/12/445634212.db2.gz QIFSLBKIUGUWIG-OAHLLOKOSA-N 2 1 347.459 1.458 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000362972829 445634216 /nfs/dbraw/zinc/63/42/16/445634216.db2.gz QIFSLBKIUGUWIG-OAHLLOKOSA-N 2 1 347.459 1.458 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000353686518 445707427 /nfs/dbraw/zinc/70/74/27/445707427.db2.gz RBNFRINUZJOKAI-HNNXBMFYSA-N 2 1 349.479 1.652 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)C1 ZINC000356290089 445720666 /nfs/dbraw/zinc/72/06/66/445720666.db2.gz XJJFNNIJHKAHOH-LJQANCHMSA-N 2 1 349.519 1.966 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000349758688 445669217 /nfs/dbraw/zinc/66/92/17/445669217.db2.gz OCQCCRLOEHRJDW-UXLLHSPISA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000349758688 445669224 /nfs/dbraw/zinc/66/92/24/445669224.db2.gz OCQCCRLOEHRJDW-UXLLHSPISA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000349758688 445669229 /nfs/dbraw/zinc/66/92/29/445669229.db2.gz OCQCCRLOEHRJDW-UXLLHSPISA-N 2 1 338.496 1.364 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000358699365 445724746 /nfs/dbraw/zinc/72/47/46/445724746.db2.gz YAJYCLREBHZMOQ-LJQANCHMSA-N 2 1 348.491 1.393 20 0 EDADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358699365 445724750 /nfs/dbraw/zinc/72/47/50/445724750.db2.gz YAJYCLREBHZMOQ-LJQANCHMSA-N 2 1 348.491 1.393 20 0 EDADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358699365 445724754 /nfs/dbraw/zinc/72/47/54/445724754.db2.gz YAJYCLREBHZMOQ-LJQANCHMSA-N 2 1 348.491 1.393 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000349934200 445725876 /nfs/dbraw/zinc/72/58/76/445725876.db2.gz MTFZQLJPPLCXTE-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP Cc1cccc(CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000363344588 445773443 /nfs/dbraw/zinc/77/34/43/445773443.db2.gz JJGMQOBLFPCVRO-KRWDZBQOSA-N 2 1 330.476 1.963 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363286202 445752741 /nfs/dbraw/zinc/75/27/41/445752741.db2.gz FANBZTJRYGFZRW-NQYYFHDYSA-N 2 1 349.519 1.722 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000361250394 445757103 /nfs/dbraw/zinc/75/71/03/445757103.db2.gz JBNVDWWJKYZORV-GXTWGEPZSA-N 2 1 331.420 1.737 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000361494397 445787664 /nfs/dbraw/zinc/78/76/64/445787664.db2.gz HCPGFZNSBAVSBA-BZSNNMDCSA-N 2 1 338.540 1.782 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C)C1 ZINC000350218121 445794670 /nfs/dbraw/zinc/79/46/70/445794670.db2.gz PQGOLRVXXHUFHR-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]CC1=CCCOC1 ZINC000363510830 445838137 /nfs/dbraw/zinc/83/81/37/445838137.db2.gz CQKQBLYUXOQUGE-UHFFFAOYSA-N 2 1 333.480 1.307 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000364007526 445889847 /nfs/dbraw/zinc/88/98/47/445889847.db2.gz XFEOYFQMOFDBNK-INIZCTEOSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H](C(=O)N(C)CCC[NH+](C)CCN(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000356624021 445894116 /nfs/dbraw/zinc/89/41/16/445894116.db2.gz SESOWCSHFMJPPR-BBWFWOEESA-N 2 1 326.529 1.590 20 0 EDADMP C[C@@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000356624021 445894122 /nfs/dbraw/zinc/89/41/22/445894122.db2.gz SESOWCSHFMJPPR-BBWFWOEESA-N 2 1 326.529 1.590 20 0 EDADMP C[C@@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000356624021 445894129 /nfs/dbraw/zinc/89/41/29/445894129.db2.gz SESOWCSHFMJPPR-BBWFWOEESA-N 2 1 326.529 1.590 20 0 EDADMP C[C@@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000356624021 445894135 /nfs/dbraw/zinc/89/41/35/445894135.db2.gz SESOWCSHFMJPPR-BBWFWOEESA-N 2 1 326.529 1.590 20 0 EDADMP C[C@@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000356624021 445894142 /nfs/dbraw/zinc/89/41/42/445894142.db2.gz SESOWCSHFMJPPR-BBWFWOEESA-N 2 1 326.529 1.590 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)C1CC[NH+](C)CC1 ZINC000364694008 445946774 /nfs/dbraw/zinc/94/67/74/445946774.db2.gz FXTSTSIILSULPM-ROUUACIJSA-N 2 1 330.476 1.875 20 0 EDADMP C[NH+](CCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)Cc1ccc(F)cc1 ZINC000361792648 445949783 /nfs/dbraw/zinc/94/97/83/445949783.db2.gz OUDXJSYJBYCNNU-INIZCTEOSA-N 2 1 334.439 1.793 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000583153375 326015410 /nfs/dbraw/zinc/01/54/10/326015410.db2.gz KMQWOYPBLSPJOK-FUHWJXTLSA-N 2 1 341.459 1.272 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000365148057 446053880 /nfs/dbraw/zinc/05/38/80/446053880.db2.gz ZONLBECCGLKVNE-IAGOWNOFSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000583490021 326082628 /nfs/dbraw/zinc/08/26/28/326082628.db2.gz SCYBBYVYIREJQY-OAHLLOKOSA-N 2 1 340.512 1.117 20 0 EDADMP C[C@@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000583554206 326094175 /nfs/dbraw/zinc/09/41/75/326094175.db2.gz VLSOFFZJPFHNQG-UONOGXRCSA-N 2 1 336.505 1.794 20 0 EDADMP C[C@@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000583554206 326094176 /nfs/dbraw/zinc/09/41/76/326094176.db2.gz VLSOFFZJPFHNQG-UONOGXRCSA-N 2 1 336.505 1.794 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cccc(OC4CCCC4)c3)CCN2C1=O ZINC000584183503 326217045 /nfs/dbraw/zinc/21/70/45/326217045.db2.gz KRUIFRIWTATBAA-YJBOKZPZSA-N 2 1 329.444 1.752 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cccc(OC4CCCC4)c3)CCN2C1=O ZINC000584183503 326217047 /nfs/dbraw/zinc/21/70/47/326217047.db2.gz KRUIFRIWTATBAA-YJBOKZPZSA-N 2 1 329.444 1.752 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCCS(N)(=O)=O)C2)s1 ZINC000584295228 326238521 /nfs/dbraw/zinc/23/85/21/326238521.db2.gz WHOFEZZGHSXOQT-AWEZNQCLSA-N 2 1 345.534 1.489 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCS(N)(=O)=O)C2)s1 ZINC000584295228 326238527 /nfs/dbraw/zinc/23/85/27/326238527.db2.gz WHOFEZZGHSXOQT-AWEZNQCLSA-N 2 1 345.534 1.489 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCS(N)(=O)=O)C2)s1 ZINC000584295228 326238532 /nfs/dbraw/zinc/23/85/32/326238532.db2.gz WHOFEZZGHSXOQT-AWEZNQCLSA-N 2 1 345.534 1.489 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCS(N)(=O)=O)C2)s1 ZINC000584295228 326238538 /nfs/dbraw/zinc/23/85/38/326238538.db2.gz WHOFEZZGHSXOQT-AWEZNQCLSA-N 2 1 345.534 1.489 20 0 EDADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CS1 ZINC000365178436 446066928 /nfs/dbraw/zinc/06/69/28/446066928.db2.gz NPEWELNFXHGXLP-ZACQAIPSSA-N 2 1 327.538 1.513 20 0 EDADMP Cn1cc(C(=O)NC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000366181526 446066944 /nfs/dbraw/zinc/06/69/44/446066944.db2.gz GMAJPDJNPHXDAC-KRWDZBQOSA-N 2 1 333.480 1.489 20 0 EDADMP Cn1cc(C(=O)NC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000366181526 446066950 /nfs/dbraw/zinc/06/69/50/446066950.db2.gz GMAJPDJNPHXDAC-KRWDZBQOSA-N 2 1 333.480 1.489 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000351476547 446077490 /nfs/dbraw/zinc/07/74/90/446077490.db2.gz LBRJLNHFQVXJOE-OTWHNJEPSA-N 2 1 345.487 1.897 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000351476547 446077495 /nfs/dbraw/zinc/07/74/95/446077495.db2.gz LBRJLNHFQVXJOE-OTWHNJEPSA-N 2 1 345.487 1.897 20 0 EDADMP CN(C(=O)c1cc(Cl)ccn1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365220716 446085577 /nfs/dbraw/zinc/08/55/77/446085577.db2.gz FUJJYGWKNGXVCD-OAHLLOKOSA-N 2 1 336.867 1.976 20 0 EDADMP CN(C(=O)c1cc(Cl)ccn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365220716 446085581 /nfs/dbraw/zinc/08/55/81/446085581.db2.gz FUJJYGWKNGXVCD-OAHLLOKOSA-N 2 1 336.867 1.976 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H]1CC2(CCC2)C(=O)O1 ZINC000365266794 446112831 /nfs/dbraw/zinc/11/28/31/446112831.db2.gz LSXYNBYNEXFVFN-YYIAUSFCSA-N 2 1 336.476 1.951 20 0 EDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@H]1C ZINC000354331187 446118178 /nfs/dbraw/zinc/11/81/78/446118178.db2.gz QIQFMLUIVIOKHU-VGWMRTNUSA-N 2 1 339.480 1.141 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000365375009 446174939 /nfs/dbraw/zinc/17/49/39/446174939.db2.gz DCZCAVNEJBLMFT-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000373447500 446221248 /nfs/dbraw/zinc/22/12/48/446221248.db2.gz JOXBZLNFOOTLHR-ZJPYXAASSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000373447500 446221253 /nfs/dbraw/zinc/22/12/53/446221253.db2.gz JOXBZLNFOOTLHR-ZJPYXAASSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+](C)[C@]1(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CCCSC1 ZINC000362117643 446223077 /nfs/dbraw/zinc/22/30/77/446223077.db2.gz KAUDPTPTWDIWPI-NVXWUHKLSA-N 2 1 343.537 1.167 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000362157329 446240233 /nfs/dbraw/zinc/24/02/33/446240233.db2.gz URJJAZGFNOXVID-IRXDYDNUSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+](C)CCNc1nc(NCC[N@H+](C)CC)nc2ccccc21 ZINC000359484760 446251618 /nfs/dbraw/zinc/25/16/18/446251618.db2.gz FYYPLULIOTWTMJ-UHFFFAOYSA-N 2 1 330.480 1.201 20 0 EDADMP CC[NH+](C)CCNc1nc2ccccc2c(NCC[N@H+](C)CC)n1 ZINC000359484760 446251623 /nfs/dbraw/zinc/25/16/23/446251623.db2.gz FYYPLULIOTWTMJ-UHFFFAOYSA-N 2 1 330.480 1.201 20 0 EDADMP CC[NH+](C)CCNc1nc2ccccc2c(NCC[N@@H+](C)CC)n1 ZINC000359484760 446251626 /nfs/dbraw/zinc/25/16/26/446251626.db2.gz FYYPLULIOTWTMJ-UHFFFAOYSA-N 2 1 330.480 1.201 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000365553426 446252354 /nfs/dbraw/zinc/25/23/54/446252354.db2.gz BFAPVNPEGORWIC-PMPSAXMXSA-N 2 1 338.496 1.269 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365553426 446252357 /nfs/dbraw/zinc/25/23/57/446252357.db2.gz BFAPVNPEGORWIC-PMPSAXMXSA-N 2 1 338.496 1.269 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365553426 446252360 /nfs/dbraw/zinc/25/23/60/446252360.db2.gz BFAPVNPEGORWIC-PMPSAXMXSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000359500079 446260754 /nfs/dbraw/zinc/26/07/54/446260754.db2.gz ADYDSIKNUMSIFY-ULQDDVLXSA-N 2 1 325.497 1.410 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000359607248 446316940 /nfs/dbraw/zinc/31/69/40/446316940.db2.gz DJSUMTBIXMIBHW-RBUKOAKNSA-N 2 1 345.487 1.744 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000359607248 446316943 /nfs/dbraw/zinc/31/69/43/446316943.db2.gz DJSUMTBIXMIBHW-RBUKOAKNSA-N 2 1 345.487 1.744 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000359607248 446316946 /nfs/dbraw/zinc/31/69/46/446316946.db2.gz DJSUMTBIXMIBHW-RBUKOAKNSA-N 2 1 345.487 1.744 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000365732060 446319603 /nfs/dbraw/zinc/31/96/03/446319603.db2.gz DDHAHCPLHVFEGQ-GVDBMIGSSA-N 2 1 337.464 1.536 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000365732060 446319606 /nfs/dbraw/zinc/31/96/06/446319606.db2.gz DDHAHCPLHVFEGQ-GVDBMIGSSA-N 2 1 337.464 1.536 20 0 EDADMP [NH3+][C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000417369914 446349788 /nfs/dbraw/zinc/34/97/88/446349788.db2.gz RYVCPMBZXLLKBZ-CZUORRHYSA-N 2 1 336.505 1.997 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000374178843 446356746 /nfs/dbraw/zinc/35/67/46/446356746.db2.gz ZDXOKLJTVYCWCX-INIZCTEOSA-N 2 1 343.537 1.466 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C12CCOCC2 ZINC000374230675 446358273 /nfs/dbraw/zinc/35/82/73/446358273.db2.gz OUJHGRUUXQYIIB-IAGOWNOFSA-N 2 1 339.524 1.576 20 0 EDADMP [NH3+]C1(CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000417509292 446358762 /nfs/dbraw/zinc/35/87/62/446358762.db2.gz VFQFGDSWLXWJFJ-QGZVFWFLSA-N 2 1 330.476 1.732 20 0 EDADMP O=C(NC[C@H]1CC[NH2+]C1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417510608 446358821 /nfs/dbraw/zinc/35/88/21/446358821.db2.gz XJKGMPZVSCCAON-ROUUACIJSA-N 2 1 330.476 1.460 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000417515606 446359670 /nfs/dbraw/zinc/35/96/70/446359670.db2.gz LKYFGOMEBFDRCA-WMZOPIPTSA-N 2 1 348.491 1.699 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417544440 446363541 /nfs/dbraw/zinc/36/35/41/446363541.db2.gz MTXXWVXDYZBBSW-SJLPKXTDSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000370633890 446365402 /nfs/dbraw/zinc/36/54/02/446365402.db2.gz JFPGGONDVUIIJS-AIANPOQGSA-N 2 1 330.476 1.683 20 0 EDADMP CC[C@H](NC(=O)NC[C@H](C)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417895521 446378560 /nfs/dbraw/zinc/37/85/60/446378560.db2.gz OPCIQFDFUQZIBG-NJAFHUGGSA-N 2 1 348.491 1.560 20 0 EDADMP CC[C@H](NC(=O)NC[C@H](C)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417895521 446378561 /nfs/dbraw/zinc/37/85/61/446378561.db2.gz OPCIQFDFUQZIBG-NJAFHUGGSA-N 2 1 348.491 1.560 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000417896423 446379052 /nfs/dbraw/zinc/37/90/52/446379052.db2.gz VUJBEHOZWKPSMY-KZNAEPCWSA-N 2 1 336.524 1.995 20 0 EDADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000370676150 446381969 /nfs/dbraw/zinc/38/19/69/446381969.db2.gz IIUANWVTXWDAMY-YYIAUSFCSA-N 2 1 325.497 1.770 20 0 EDADMP CCN(CC(=O)N1CCC[C@@H](N(C)Cc2noc(C)n2)CC1)C1CC1 ZINC000376243792 446396857 /nfs/dbraw/zinc/39/68/57/446396857.db2.gz HEPSLJCTSHUNRW-OAHLLOKOSA-N 2 1 349.479 1.675 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000417952152 446397506 /nfs/dbraw/zinc/39/75/06/446397506.db2.gz XULBEUUHNWUFHZ-XMTFNYHQSA-N 2 1 328.460 1.968 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC000374872124 446427811 /nfs/dbraw/zinc/42/78/11/446427811.db2.gz GECVBHNGMWWKBX-AZUAARDMSA-N 2 1 345.487 1.739 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC000374872124 446427812 /nfs/dbraw/zinc/42/78/12/446427812.db2.gz GECVBHNGMWWKBX-AZUAARDMSA-N 2 1 345.487 1.739 20 0 EDADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1=O ZINC000423123484 446431374 /nfs/dbraw/zinc/43/13/74/446431374.db2.gz DXUXEFRNASIOBB-KURKYZTESA-N 2 1 341.455 1.785 20 0 EDADMP C[C@@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417988730 446408736 /nfs/dbraw/zinc/40/87/36/446408736.db2.gz HTTCEKHIUPLGCD-OWYHZJEWSA-N 2 1 342.487 1.900 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417996239 446410203 /nfs/dbraw/zinc/41/02/03/446410203.db2.gz QVUZEUIFABUGLT-HUUCEWRRSA-N 2 1 326.485 1.175 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418017494 446416481 /nfs/dbraw/zinc/41/64/81/446416481.db2.gz YDFUECNQKFJCJO-KBAYOESNSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000418017698 446417487 /nfs/dbraw/zinc/41/74/87/446417487.db2.gz SWSLQXGMGCKQRV-ATLSCFEFSA-N 2 1 330.476 1.886 20 0 EDADMP CCOC(=O)c1ccc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000420292725 446456380 /nfs/dbraw/zinc/45/63/80/446456380.db2.gz MARPXZMGVMUJSS-ZDUSSCGKSA-N 2 1 333.432 1.861 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000418204341 446457494 /nfs/dbraw/zinc/45/74/94/446457494.db2.gz XMEGGCROAXSAOQ-LSDHHAIUSA-N 2 1 326.485 1.112 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000420301902 446464531 /nfs/dbraw/zinc/46/45/31/446464531.db2.gz FJDPEAFZKHYURP-UHFFFAOYSA-N 2 1 331.416 1.487 20 0 EDADMP O=C1C[NH2+]CCN1[C@H]1CCCN(Cc2ncc(Cl)cc2Cl)C1 ZINC000420307817 446470688 /nfs/dbraw/zinc/47/06/88/446470688.db2.gz MQUSEAOARWWCJM-LBPRGKRZSA-N 2 1 343.258 1.785 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)CC[NH2+]C1 ZINC000423303718 446479197 /nfs/dbraw/zinc/47/91/97/446479197.db2.gz JIRWHJNQTDAWEY-CRAIPNDOSA-N 2 1 335.448 1.040 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418190755 446453850 /nfs/dbraw/zinc/45/38/50/446453850.db2.gz WVEVZUXPDVWNIK-HNNXBMFYSA-N 2 1 326.485 1.176 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000423318464 446485741 /nfs/dbraw/zinc/48/57/41/446485741.db2.gz BTHSLIUDBUMIDU-CRAIPNDOSA-N 2 1 331.460 1.523 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418316222 446495543 /nfs/dbraw/zinc/49/55/43/446495543.db2.gz LNOYNVPCNZBJIV-UHFFFAOYSA-N 2 1 326.485 1.400 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCCC[NH2+]Cc3cccnc3)CC[C@@H]21 ZINC000418330042 446502665 /nfs/dbraw/zinc/50/26/65/446502665.db2.gz PGXAXLCDJMZHOR-ROUUACIJSA-N 2 1 345.491 1.687 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1CC ZINC000423374660 446506573 /nfs/dbraw/zinc/50/65/73/446506573.db2.gz CPYFDENKKQRJOK-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339381 446510547 /nfs/dbraw/zinc/51/05/47/446510547.db2.gz YQROJRBAMHMRLW-QGZVFWFLSA-N 2 1 331.460 1.299 20 0 EDADMP Cc1ccccc1CNC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339381 446510553 /nfs/dbraw/zinc/51/05/53/446510553.db2.gz YQROJRBAMHMRLW-QGZVFWFLSA-N 2 1 331.460 1.299 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418365900 446515549 /nfs/dbraw/zinc/51/55/49/446515549.db2.gz KCGRHCGDMLTDML-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP CC[NH2+]CCNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418322709 446496846 /nfs/dbraw/zinc/49/68/46/446496846.db2.gz DAELCAPYSKVBTC-IYBDPMFKSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423354393 446497675 /nfs/dbraw/zinc/49/76/75/446497675.db2.gz CVSDLDKVSILKEZ-QXSJWSMHSA-N 2 1 347.507 1.973 20 0 EDADMP CC[NH2+]CCNC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000418317322 446497864 /nfs/dbraw/zinc/49/78/64/446497864.db2.gz MEVIDDKIQMCKLE-UHFFFAOYSA-N 2 1 347.507 1.055 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000418324015 446498538 /nfs/dbraw/zinc/49/85/38/446498538.db2.gz VJFMJDYKPLQRMR-AWEZNQCLSA-N 2 1 326.485 1.135 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418325291 446498570 /nfs/dbraw/zinc/49/85/70/446498570.db2.gz IQEJZJTZVMGJDM-MSOLQXFVSA-N 2 1 345.491 1.830 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1OC ZINC000420382273 446559207 /nfs/dbraw/zinc/55/92/07/446559207.db2.gz POGJQPWGYXDLOU-GDBMZVCRSA-N 2 1 349.475 1.579 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1OC ZINC000420382273 446559208 /nfs/dbraw/zinc/55/92/08/446559208.db2.gz POGJQPWGYXDLOU-GDBMZVCRSA-N 2 1 349.475 1.579 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1 ZINC000418483936 446561604 /nfs/dbraw/zinc/56/16/04/446561604.db2.gz FYEOVVOWFSHXKX-ILXRZTDVSA-N 2 1 334.464 1.303 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423405257 446520285 /nfs/dbraw/zinc/52/02/85/446520285.db2.gz SYWKMEATUPUVTR-YDHLFZDLSA-N 2 1 325.478 1.599 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC2CCC([NH3+])CC2)CC[N@H+]1CCOC ZINC000418376838 446520806 /nfs/dbraw/zinc/52/08/06/446520806.db2.gz APNBNWSCHREDMA-UYSNPLJNSA-N 2 1 326.485 1.399 20 0 EDADMP O=C1[C@@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCCN1c1cccc(F)c1 ZINC000420347414 446523676 /nfs/dbraw/zinc/52/36/76/446523676.db2.gz GPAIIKLCDUMNFJ-MSOLQXFVSA-N 2 1 346.450 1.301 20 0 EDADMP O=C1[C@@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCCN1c1ccccc1F ZINC000420348966 446525099 /nfs/dbraw/zinc/52/50/99/446525099.db2.gz NLEIITIYCAWYSU-QAPCUYQASA-N 2 1 346.450 1.301 20 0 EDADMP O=C1[C@@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCCN1c1ccccc1F ZINC000420348966 446525107 /nfs/dbraw/zinc/52/51/07/446525107.db2.gz NLEIITIYCAWYSU-QAPCUYQASA-N 2 1 346.450 1.301 20 0 EDADMP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420348435 446525863 /nfs/dbraw/zinc/52/58/63/446525863.db2.gz LPXHLAQIUZBPOD-QAPCUYQASA-N 2 1 330.476 1.556 20 0 EDADMP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420348435 446525866 /nfs/dbraw/zinc/52/58/66/446525866.db2.gz LPXHLAQIUZBPOD-QAPCUYQASA-N 2 1 330.476 1.556 20 0 EDADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349098 446525977 /nfs/dbraw/zinc/52/59/77/446525977.db2.gz NSJPYDXCZNRPDA-OKZBNKHCSA-N 2 1 344.503 1.540 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418402532 446530714 /nfs/dbraw/zinc/53/07/14/446530714.db2.gz HPZDSMRQFZXPTJ-ZACQAIPSSA-N 3 1 339.528 1.171 20 0 EDADMP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420352801 446531669 /nfs/dbraw/zinc/53/16/69/446531669.db2.gz AXHQRLFOKUJLON-LRDDRELGSA-N 2 1 339.430 1.990 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000433138807 446535871 /nfs/dbraw/zinc/53/58/71/446535871.db2.gz UJSVNICNHHQRCM-JKSUJKDBSA-N 2 1 332.448 1.306 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000433138807 446535878 /nfs/dbraw/zinc/53/58/78/446535878.db2.gz UJSVNICNHHQRCM-JKSUJKDBSA-N 2 1 332.448 1.306 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000420358509 446537653 /nfs/dbraw/zinc/53/76/53/446537653.db2.gz JGWMPKZFGDQIGO-CVEARBPZSA-N 2 1 341.459 1.989 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)NCCc1c(F)cccc1F ZINC000420356869 446538110 /nfs/dbraw/zinc/53/81/10/446538110.db2.gz GXZNQBLUEPKDKC-OAHLLOKOSA-N 2 1 325.403 1.601 20 0 EDADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367386745 446538976 /nfs/dbraw/zinc/53/89/76/446538976.db2.gz WMYWZVPLLDPVAQ-CYBMUJFWSA-N 2 1 331.407 1.087 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000375048956 446541855 /nfs/dbraw/zinc/54/18/55/446541855.db2.gz KVXCEASNQWDBMO-DOTOQJQBSA-N 2 1 331.460 1.793 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[NH2+][C@@](C)(C(N)=O)c2ccccc2)cc1 ZINC000420362657 446542800 /nfs/dbraw/zinc/54/28/00/446542800.db2.gz BANSVELERWBFNG-DNVCBOLYSA-N 2 1 327.428 1.728 20 0 EDADMP CCOC(=O)C1([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000420366898 446546293 /nfs/dbraw/zinc/54/62/93/446546293.db2.gz VCHVDWFPCAJXMG-UHFFFAOYSA-N 2 1 325.453 1.006 20 0 EDADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000453126520 446547763 /nfs/dbraw/zinc/54/77/63/446547763.db2.gz PDDVFPOMDMCEBV-KPFFTGBYSA-N 2 1 340.471 1.880 20 0 EDADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000453126520 446547771 /nfs/dbraw/zinc/54/77/71/446547771.db2.gz PDDVFPOMDMCEBV-KPFFTGBYSA-N 2 1 340.471 1.880 20 0 EDADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000423475856 446549765 /nfs/dbraw/zinc/54/97/65/446549765.db2.gz KQUCUCLWMWZFOZ-WCQYABFASA-N 2 1 347.431 1.954 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000423479570 446552290 /nfs/dbraw/zinc/55/22/90/446552290.db2.gz OGYXYLVXDAFNNN-AAEUAGOBSA-N 2 1 332.416 1.986 20 0 EDADMP CC[C@H](NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000420402795 446575981 /nfs/dbraw/zinc/57/59/81/446575981.db2.gz JLJVPDWLEIQMKJ-HNNXBMFYSA-N 2 1 339.867 1.693 20 0 EDADMP C[C@H](CC[NH+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)CC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000411510546 446577875 /nfs/dbraw/zinc/57/78/75/446577875.db2.gz YXTOMPUKKUAMAW-NRVHICEFSA-N 2 1 336.520 1.808 20 0 EDADMP C[C@@H](CC[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000411510546 446577881 /nfs/dbraw/zinc/57/78/81/446577881.db2.gz YXTOMPUKKUAMAW-NRVHICEFSA-N 2 1 336.520 1.808 20 0 EDADMP C[C@@H](CC[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)CC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000411510546 446577889 /nfs/dbraw/zinc/57/78/89/446577889.db2.gz YXTOMPUKKUAMAW-NRVHICEFSA-N 2 1 336.520 1.808 20 0 EDADMP CCN(C(=O)NC[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418521287 446579813 /nfs/dbraw/zinc/57/98/13/446579813.db2.gz IGUYYTPPXCYPRG-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP CC[C@H]1CN(C(=O)NC[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418529358 446581352 /nfs/dbraw/zinc/58/13/52/446581352.db2.gz TXCRPLCWDHBGBX-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000418530222 446583294 /nfs/dbraw/zinc/58/32/94/446583294.db2.gz VBNFIKOVHGXELL-LESCRADOSA-N 2 1 347.507 1.979 20 0 EDADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000418530222 446583302 /nfs/dbraw/zinc/58/33/02/446583302.db2.gz VBNFIKOVHGXELL-LESCRADOSA-N 2 1 347.507 1.979 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418587860 446603249 /nfs/dbraw/zinc/60/32/49/446603249.db2.gz RITOQPNCEXPJQN-ZHALLVOQSA-N 2 1 346.475 1.193 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418586627 446603973 /nfs/dbraw/zinc/60/39/73/446603973.db2.gz QKLIPLDZQHZCOK-GVDBMIGSSA-N 2 1 337.512 1.068 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368122101 446653875 /nfs/dbraw/zinc/65/38/75/446653875.db2.gz JKBOOEBDKCCVOG-QZTJIDSGSA-N 2 1 343.471 1.536 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368122101 446653882 /nfs/dbraw/zinc/65/38/82/446653882.db2.gz JKBOOEBDKCCVOG-QZTJIDSGSA-N 2 1 343.471 1.536 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)C[C@@H]1Cc1ccccc1 ZINC000418730985 446657740 /nfs/dbraw/zinc/65/77/40/446657740.db2.gz IEUKJSIGAJYYLP-GJZGRUSLSA-N 2 1 340.418 1.537 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)C[C@@H]1Cc1ccccc1 ZINC000418730985 446657748 /nfs/dbraw/zinc/65/77/48/446657748.db2.gz IEUKJSIGAJYYLP-GJZGRUSLSA-N 2 1 340.418 1.537 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)CCOC3C[NH2+]C3)CC2)cc1 ZINC000423733929 446668277 /nfs/dbraw/zinc/66/82/77/446668277.db2.gz QOTNZOVHBHEEMH-UHFFFAOYSA-N 2 1 347.459 1.108 20 0 EDADMP COCC1(CNC(=O)NCC[N@H+]2CCCC(C)(C)C2)CC[NH2+]CC1 ZINC000418641688 446628491 /nfs/dbraw/zinc/62/84/91/446628491.db2.gz QIKKMWPCFOKKML-UHFFFAOYSA-N 2 1 340.512 1.424 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000434265479 446632323 /nfs/dbraw/zinc/63/23/23/446632323.db2.gz GWJSLKIEKSQLPA-HNNXBMFYSA-N 2 1 338.496 1.223 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000434265479 446632328 /nfs/dbraw/zinc/63/23/28/446632328.db2.gz GWJSLKIEKSQLPA-HNNXBMFYSA-N 2 1 338.496 1.223 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000434265479 446632332 /nfs/dbraw/zinc/63/23/32/446632332.db2.gz GWJSLKIEKSQLPA-HNNXBMFYSA-N 2 1 338.496 1.223 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000434265479 446632339 /nfs/dbraw/zinc/63/23/39/446632339.db2.gz GWJSLKIEKSQLPA-HNNXBMFYSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423762955 446691437 /nfs/dbraw/zinc/69/14/37/446691437.db2.gz PATGNUUDUKWIHR-UIBIWLFHSA-N 2 1 333.476 1.890 20 0 EDADMP C[C@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423762955 446691440 /nfs/dbraw/zinc/69/14/40/446691440.db2.gz PATGNUUDUKWIHR-UIBIWLFHSA-N 2 1 333.476 1.890 20 0 EDADMP [NH3+][C@H](CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000371279826 446738520 /nfs/dbraw/zinc/73/85/20/446738520.db2.gz LJADFCHJAGQSFH-KURKYZTESA-N 2 1 331.460 1.836 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1(C)C ZINC000368210797 446712281 /nfs/dbraw/zinc/71/22/81/446712281.db2.gz DOJFQNKULPCQIX-GOSISDBHSA-N 2 1 342.503 1.341 20 0 EDADMP C[NH+]1CCN(CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000368210797 446712286 /nfs/dbraw/zinc/71/22/86/446712286.db2.gz DOJFQNKULPCQIX-GOSISDBHSA-N 2 1 342.503 1.341 20 0 EDADMP C[NH+]1CCN(CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000368210797 446712291 /nfs/dbraw/zinc/71/22/91/446712291.db2.gz DOJFQNKULPCQIX-GOSISDBHSA-N 2 1 342.503 1.341 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000418805168 446713091 /nfs/dbraw/zinc/71/30/91/446713091.db2.gz ZTIVRTQJEUZTOW-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP COCC[C@@]1(C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]C1 ZINC000376791887 446721773 /nfs/dbraw/zinc/72/17/73/446721773.db2.gz QFQWEDQWVRVKJF-FQEVSTJZSA-N 2 1 345.487 1.390 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000423835152 446723383 /nfs/dbraw/zinc/72/33/83/446723383.db2.gz FLAZCQKDCGZQKB-IRXDYDNUSA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000368241868 446733123 /nfs/dbraw/zinc/73/31/23/446733123.db2.gz HVRWTOKGWNTGMK-SFHVURJKSA-N 2 1 343.487 1.504 20 0 EDADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371294606 446750848 /nfs/dbraw/zinc/75/08/48/446750848.db2.gz LWRBRYANNUUKLN-HNBVOPMISA-N 2 1 348.487 1.918 20 0 EDADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423905147 446755148 /nfs/dbraw/zinc/75/51/48/446755148.db2.gz OXKFWDLWOPVVPQ-QYZOEREBSA-N 2 1 343.471 1.488 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2COCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000423904720 446755950 /nfs/dbraw/zinc/75/59/50/446755950.db2.gz OJWYTMJQZILTFN-NXHRZFHOSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2COCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000423904720 446755955 /nfs/dbraw/zinc/75/59/55/446755955.db2.gz OJWYTMJQZILTFN-NXHRZFHOSA-N 2 1 331.460 1.392 20 0 EDADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423917424 446766859 /nfs/dbraw/zinc/76/68/59/446766859.db2.gz ZNZPBUSGHHOFBV-CEXWTWQISA-N 2 1 343.471 1.488 20 0 EDADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423917424 446766861 /nfs/dbraw/zinc/76/68/61/446766861.db2.gz ZNZPBUSGHHOFBV-CEXWTWQISA-N 2 1 343.471 1.488 20 0 EDADMP C[C@H](c1cccnc1)N1C(=O)C[C@H](N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000368323359 446785627 /nfs/dbraw/zinc/78/56/27/446785627.db2.gz YRMJVWNPEUBSHS-SIXWZSSISA-N 2 1 342.443 1.298 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000454284452 446833874 /nfs/dbraw/zinc/83/38/74/446833874.db2.gz YKZMTFOXZWUZCR-KRWDZBQOSA-N 2 1 334.464 1.717 20 0 EDADMP COCCCNC(=O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375449824 446807594 /nfs/dbraw/zinc/80/75/94/446807594.db2.gz SQFVLGIGDHLCLK-IEBWSBKVSA-N 2 1 333.476 1.812 20 0 EDADMP COCCCNC(=O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375449824 446807598 /nfs/dbraw/zinc/80/75/98/446807598.db2.gz SQFVLGIGDHLCLK-IEBWSBKVSA-N 2 1 333.476 1.812 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000424457963 446876346 /nfs/dbraw/zinc/87/63/46/446876346.db2.gz SCBBOYXNGPHSTA-CQSZACIVSA-N 2 1 332.448 1.240 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)N[C@H](C)CC[NH3+])cc1 ZINC000419033508 446876424 /nfs/dbraw/zinc/87/64/24/446876424.db2.gz CPFDHQGEEQIDCB-OLZOCXBDSA-N 2 1 343.431 1.211 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000371497989 446893552 /nfs/dbraw/zinc/89/35/52/446893552.db2.gz UWRHFHRPJDANNX-UHFFFAOYSA-N 2 1 333.476 1.933 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000368509083 446908766 /nfs/dbraw/zinc/90/87/66/446908766.db2.gz XLFIHCHEBMQLCD-RTBURBONSA-N 2 1 338.540 1.198 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000368509080 446909224 /nfs/dbraw/zinc/90/92/24/446909224.db2.gz XLFIHCHEBMQLCD-MOPGFXCFSA-N 2 1 338.540 1.198 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)CC1 ZINC000375597838 446914911 /nfs/dbraw/zinc/91/49/11/446914911.db2.gz LOSHUZMWYPDXDC-SQNIBIBYSA-N 2 1 336.524 1.521 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCS(N)(=O)=O)cc1F ZINC000371544836 446924921 /nfs/dbraw/zinc/92/49/21/446924921.db2.gz GLSSVNKRHYQPLU-NSHDSACASA-N 2 1 340.424 1.649 20 0 EDADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000442796908 446970666 /nfs/dbraw/zinc/97/06/66/446970666.db2.gz WLJNTOLBEBLPDG-IRXDYDNUSA-N 2 1 333.476 1.810 20 0 EDADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000442796908 446970671 /nfs/dbraw/zinc/97/06/71/446970671.db2.gz WLJNTOLBEBLPDG-IRXDYDNUSA-N 2 1 333.476 1.810 20 0 EDADMP COc1ccc(CN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)C2CC2)cc1 ZINC000442758741 446956491 /nfs/dbraw/zinc/95/64/91/446956491.db2.gz JFEODHAVOTYXSG-GOEBONIOSA-N 2 1 331.460 1.855 20 0 EDADMP COc1ccc(CN(C(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)C2CC2)cc1 ZINC000442758741 446956498 /nfs/dbraw/zinc/95/64/98/446956498.db2.gz JFEODHAVOTYXSG-GOEBONIOSA-N 2 1 331.460 1.855 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000442766981 446958891 /nfs/dbraw/zinc/95/88/91/446958891.db2.gz XSXAVEIQARQXOT-CVEARBPZSA-N 2 1 348.466 1.534 20 0 EDADMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000371948219 446977654 /nfs/dbraw/zinc/97/76/54/446977654.db2.gz BQAFTOWOMAZDPQ-MAUKXSAKSA-N 2 1 329.488 1.931 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000419173229 446989223 /nfs/dbraw/zinc/98/92/23/446989223.db2.gz SIPIRENAKMTJLX-NVXWUHKLSA-N 2 1 346.475 1.039 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000443058319 447000478 /nfs/dbraw/zinc/00/04/78/447000478.db2.gz KAAJFMYFPNRTCW-MRXNPFEDSA-N 2 1 348.466 1.535 20 0 EDADMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cn2)CC1 ZINC000375889263 447123697 /nfs/dbraw/zinc/12/36/97/447123697.db2.gz OKGNSPFOPJVZHQ-OTWHNJEPSA-N 3 1 343.519 1.796 20 0 EDADMP CN1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cn2)CC1 ZINC000375889263 447123706 /nfs/dbraw/zinc/12/37/06/447123706.db2.gz OKGNSPFOPJVZHQ-OTWHNJEPSA-N 2 1 343.519 1.796 20 0 EDADMP CN1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cn2)CC1 ZINC000375889263 447123714 /nfs/dbraw/zinc/12/37/14/447123714.db2.gz OKGNSPFOPJVZHQ-OTWHNJEPSA-N 2 1 343.519 1.796 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444183988 447090807 /nfs/dbraw/zinc/09/08/07/447090807.db2.gz ODHSPDDVDJMNRU-BJLQDIEVSA-N 2 1 327.472 1.967 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000375912537 447143227 /nfs/dbraw/zinc/14/32/27/447143227.db2.gz PNEKZYJCDCPRSY-GOSISDBHSA-N 2 1 331.460 1.408 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000372578400 447157026 /nfs/dbraw/zinc/15/70/26/447157026.db2.gz RTWJUMYAEHEDLP-KSZLIROESA-N 2 1 345.491 1.858 20 0 EDADMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000372578400 447157036 /nfs/dbraw/zinc/15/70/36/447157036.db2.gz RTWJUMYAEHEDLP-KSZLIROESA-N 2 1 345.491 1.858 20 0 EDADMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000372578400 447157043 /nfs/dbraw/zinc/15/70/43/447157043.db2.gz RTWJUMYAEHEDLP-KSZLIROESA-N 2 1 345.491 1.858 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000425480876 447184103 /nfs/dbraw/zinc/18/41/03/447184103.db2.gz RGEDFCINIXRVME-OAHLLOKOSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000419484282 447215199 /nfs/dbraw/zinc/21/51/99/447215199.db2.gz SVTLGTBWRLQHBI-OAGGEKHMSA-N 2 1 338.496 1.001 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)C(C)C ZINC000419504020 447229823 /nfs/dbraw/zinc/22/98/23/447229823.db2.gz UNFSQSFLNADWBM-SJORKVTESA-N 2 1 342.528 1.592 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419589047 447284758 /nfs/dbraw/zinc/28/47/58/447284758.db2.gz OTZJAYQGAKUKOK-HOTGVXAUSA-N 2 1 338.496 1.001 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC000426468642 447449397 /nfs/dbraw/zinc/44/93/97/447449397.db2.gz KXSSVHHRLZDGTJ-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC000426468642 447449402 /nfs/dbraw/zinc/44/94/02/447449402.db2.gz KXSSVHHRLZDGTJ-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP O[C@H](CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000382408035 447462137 /nfs/dbraw/zinc/46/21/37/447462137.db2.gz BZAJOJMVENLKFH-WOJBJXKFSA-N 2 1 331.504 1.945 20 0 EDADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Cn1cccn1 ZINC000383346438 447465783 /nfs/dbraw/zinc/46/57/83/447465783.db2.gz MQCSCERAIGNKLR-RBUKOAKNSA-N 2 1 328.460 1.746 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000458782239 447477393 /nfs/dbraw/zinc/47/73/93/447477393.db2.gz SCFPPXYXAZLRJQ-JKSUJKDBSA-N 2 1 326.485 1.007 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458782239 447477399 /nfs/dbraw/zinc/47/73/99/447477399.db2.gz SCFPPXYXAZLRJQ-JKSUJKDBSA-N 2 1 326.485 1.007 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000458782239 447477404 /nfs/dbraw/zinc/47/74/04/447477404.db2.gz SCFPPXYXAZLRJQ-JKSUJKDBSA-N 2 1 326.485 1.007 20 0 EDADMP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390899744 447504982 /nfs/dbraw/zinc/50/49/82/447504982.db2.gz MXTSMMXCOBHBCM-KZNAEPCWSA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+]CC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000390920099 447507215 /nfs/dbraw/zinc/50/72/15/447507215.db2.gz HIMYZGQGTZCFBP-SFHVURJKSA-N 2 1 345.487 1.913 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1 ZINC000457111365 447521493 /nfs/dbraw/zinc/52/14/93/447521493.db2.gz FGSLILXQONJPSC-INIZCTEOSA-N 2 1 333.476 1.667 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1 ZINC000457111365 447521499 /nfs/dbraw/zinc/52/14/99/447521499.db2.gz FGSLILXQONJPSC-INIZCTEOSA-N 2 1 333.476 1.667 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000427295853 447576456 /nfs/dbraw/zinc/57/64/56/447576456.db2.gz QOJRHJGIXUTHHT-MRXNPFEDSA-N 2 1 346.475 1.251 20 0 EDADMP CC(C)C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000427299027 447577799 /nfs/dbraw/zinc/57/77/99/447577799.db2.gz IOOXQPRUBTXJFJ-SJORKVTESA-N 2 1 325.497 1.629 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000457515317 447584016 /nfs/dbraw/zinc/58/40/16/447584016.db2.gz WLVCLJHMFZKIFR-HZPDHXFCSA-N 2 1 333.480 1.209 20 0 EDADMP CC(C)[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000393083963 447529458 /nfs/dbraw/zinc/52/94/58/447529458.db2.gz IIIZBCHHSYRCIX-MOPGFXCFSA-N 2 1 346.519 1.855 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000416008913 447529867 /nfs/dbraw/zinc/52/98/67/447529867.db2.gz ODZGURKDVOJPFO-OLZOCXBDSA-N 2 1 338.418 1.933 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000395760570 447541259 /nfs/dbraw/zinc/54/12/59/447541259.db2.gz KWGWOZMLGCDPOP-IAGOWNOFSA-N 2 1 333.480 1.080 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)[NH+](C)C ZINC000459038858 447549202 /nfs/dbraw/zinc/54/92/02/447549202.db2.gz ISLHZPAAHKHEGF-DOTOQJQBSA-N 2 1 333.480 1.495 20 0 EDADMP Cn1cc[nH+]c1N1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000427164175 447555367 /nfs/dbraw/zinc/55/53/67/447555367.db2.gz LQRIPGQPIZWUAC-UHFFFAOYSA-N 2 1 333.480 1.581 20 0 EDADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H](C)C1 ZINC000459066136 447560425 /nfs/dbraw/zinc/56/04/25/447560425.db2.gz UURJXAIGFLDMEQ-DXMBWKHVSA-N 2 1 334.508 1.983 20 0 EDADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)C1 ZINC000459066136 447560430 /nfs/dbraw/zinc/56/04/30/447560430.db2.gz UURJXAIGFLDMEQ-DXMBWKHVSA-N 2 1 334.508 1.983 20 0 EDADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC000459066136 447560435 /nfs/dbraw/zinc/56/04/35/447560435.db2.gz UURJXAIGFLDMEQ-DXMBWKHVSA-N 2 1 334.508 1.983 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCc3ccccc3C2)[C@@H](C)C[N@H+]1CCO ZINC000416299593 447561837 /nfs/dbraw/zinc/56/18/37/447561837.db2.gz CUBBXUJNNGCSBG-SJORKVTESA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3ccccc3C2)[C@@H](C)C[NH+]1CCO ZINC000416299593 447561845 /nfs/dbraw/zinc/56/18/45/447561845.db2.gz CUBBXUJNNGCSBG-SJORKVTESA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H]1CN(C(=O)CC[N@H+]2CCc3ccccc3C2)[C@@H](C)C[NH+]1CCO ZINC000416299593 447561852 /nfs/dbraw/zinc/56/18/52/447561852.db2.gz CUBBXUJNNGCSBG-SJORKVTESA-N 2 1 345.487 1.348 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[NH+](CC)CC)CC1 ZINC000457385392 447570314 /nfs/dbraw/zinc/57/03/14/447570314.db2.gz HGQOGHRXNKAVES-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP CC1(C)CC(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC(C)(C)[NH2+]1 ZINC000457397780 447571829 /nfs/dbraw/zinc/57/18/29/447571829.db2.gz WIAZALTWYZKTTR-OAHLLOKOSA-N 2 1 340.512 1.442 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1CCC[C@H](C)C1 ZINC000457692416 447620601 /nfs/dbraw/zinc/62/06/01/447620601.db2.gz NPOBCOTVPOTENS-VVLHAWIVSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000457692416 447620609 /nfs/dbraw/zinc/62/06/09/447620609.db2.gz NPOBCOTVPOTENS-VVLHAWIVSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000457692416 447620617 /nfs/dbraw/zinc/62/06/17/447620617.db2.gz NPOBCOTVPOTENS-VVLHAWIVSA-N 2 1 340.512 1.203 20 0 EDADMP C[NH2+]C[C@@H]1CCN(c2nc(N[C@@H]3CCCO[C@H]3C(C)C)cc[nH+]2)C1 ZINC000420189116 447662216 /nfs/dbraw/zinc/66/22/16/447662216.db2.gz NQEXPNIZVYYTQP-UXLLHSPISA-N 2 1 333.480 2.138 20 0 EDADMP COc1cc2[nH+]c(N3CCC([C@@H](C)[NH3+])CC3)nc(N)c2cc1OC ZINC000420224371 447678120 /nfs/dbraw/zinc/67/81/20/447678120.db2.gz XEBCLUHYHMAIDC-SNVBAGLBSA-N 2 1 331.420 1.793 20 0 EDADMP O=C1C[NH2+]CCN1[C@@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000420238306 447682617 /nfs/dbraw/zinc/68/26/17/447682617.db2.gz KQQVIQJWJPIVKZ-GFCCVEGCSA-N 2 1 328.338 1.501 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@H](CC[NH3+])C(F)F)C[C@H](C)O1 ZINC000416930246 447713656 /nfs/dbraw/zinc/71/36/56/447713656.db2.gz KHPPMBRZHVWGJK-GRYCIOLGSA-N 2 1 336.427 1.156 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@H](CC[NH3+])C(F)F)C[C@H](C)O1 ZINC000416930246 447713662 /nfs/dbraw/zinc/71/36/62/447713662.db2.gz KHPPMBRZHVWGJK-GRYCIOLGSA-N 2 1 336.427 1.156 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000416937481 447715982 /nfs/dbraw/zinc/71/59/82/447715982.db2.gz JJKCWOPDUAOHEF-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[C@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000416947482 447722417 /nfs/dbraw/zinc/72/24/17/447722417.db2.gz GWAHVWRQGMZIOH-IRXDYDNUSA-N 2 1 339.528 1.090 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422738994 447733653 /nfs/dbraw/zinc/73/36/53/447733653.db2.gz KPWVZSJPZLFBKR-GUDVDZBRSA-N 2 1 344.503 1.657 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000417104031 447735010 /nfs/dbraw/zinc/73/50/10/447735010.db2.gz DTIDMIDIRALXSI-IPYPFGDCSA-N 2 1 336.505 1.792 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000417104031 447735013 /nfs/dbraw/zinc/73/50/13/447735013.db2.gz DTIDMIDIRALXSI-IPYPFGDCSA-N 2 1 336.505 1.792 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)C[NH+]1CCC2CC1 ZINC000496186512 447737422 /nfs/dbraw/zinc/73/74/22/447737422.db2.gz CUOXMJYIMAXJES-SZVBFZGTSA-N 2 1 349.475 1.752 20 0 EDADMP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422746442 447737551 /nfs/dbraw/zinc/73/75/51/447737551.db2.gz WLXDEIKYWBZMGN-CVEARBPZSA-N 2 1 325.478 1.484 20 0 EDADMP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000458181060 447738548 /nfs/dbraw/zinc/73/85/48/447738548.db2.gz ZIXCDPOTWCCUDX-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000458181060 447738553 /nfs/dbraw/zinc/73/85/53/447738553.db2.gz ZIXCDPOTWCCUDX-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCC[C@H](CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000458181060 447738557 /nfs/dbraw/zinc/73/85/57/447738557.db2.gz ZIXCDPOTWCCUDX-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCC[C@H](CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000458181060 447738564 /nfs/dbraw/zinc/73/85/64/447738564.db2.gz ZIXCDPOTWCCUDX-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP [NH3+]CC1CCC([NH2+]CCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000422756913 447741426 /nfs/dbraw/zinc/74/14/26/447741426.db2.gz CQNXXWWRISTIDQ-UHFFFAOYSA-N 2 1 330.520 1.911 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000458209850 447745440 /nfs/dbraw/zinc/74/54/40/447745440.db2.gz YYNPSBJMCFKROA-OAHLLOKOSA-N 2 1 325.478 1.359 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000458209850 447745446 /nfs/dbraw/zinc/74/54/46/447745446.db2.gz YYNPSBJMCFKROA-OAHLLOKOSA-N 2 1 325.478 1.359 20 0 EDADMP CCOC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000459713825 447750005 /nfs/dbraw/zinc/75/00/05/447750005.db2.gz NTDPKJKEJQMXSY-KRWDZBQOSA-N 2 1 325.497 1.866 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])s1 ZINC000422999559 447789552 /nfs/dbraw/zinc/78/95/52/447789552.db2.gz SQWXVANHPGJWPB-STQMWFEESA-N 2 1 331.507 1.584 20 0 EDADMP COC[C@@]1(CO)CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000451936016 447790702 /nfs/dbraw/zinc/79/07/02/447790702.db2.gz SJUZUMNZWMDYDU-UXHICEINSA-N 2 1 348.487 1.608 20 0 EDADMP COC[C@@]1(CO)CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000451936016 447790705 /nfs/dbraw/zinc/79/07/05/447790705.db2.gz SJUZUMNZWMDYDU-UXHICEINSA-N 2 1 348.487 1.608 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000487940366 447838238 /nfs/dbraw/zinc/83/82/38/447838238.db2.gz CXFNEURSDOPODL-LISAXSMJSA-N 2 1 347.507 1.459 20 0 EDADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000487940366 447838240 /nfs/dbraw/zinc/83/82/40/447838240.db2.gz CXFNEURSDOPODL-LISAXSMJSA-N 2 1 347.507 1.459 20 0 EDADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000487940366 447838242 /nfs/dbraw/zinc/83/82/42/447838242.db2.gz CXFNEURSDOPODL-LISAXSMJSA-N 2 1 347.507 1.459 20 0 EDADMP CN(C[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C(=O)OC(C)(C)C ZINC000497105906 447859428 /nfs/dbraw/zinc/85/94/28/447859428.db2.gz JCGQRUCYWGIKEW-HUUCEWRRSA-N 2 1 329.485 1.488 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000569904893 447913321 /nfs/dbraw/zinc/91/33/21/447913321.db2.gz GPPJJXYXZQFGIO-GOSISDBHSA-N 2 1 345.491 1.782 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000569843153 447904791 /nfs/dbraw/zinc/90/47/91/447904791.db2.gz MOMPFBTXWZZAPM-AEFFLSMTSA-N 2 1 330.476 1.800 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000497201270 447952194 /nfs/dbraw/zinc/95/21/94/447952194.db2.gz GOSMKWOLVQIADD-OWCLPIDISA-N 2 1 341.496 1.630 20 0 EDADMP CN(C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000497201270 447952198 /nfs/dbraw/zinc/95/21/98/447952198.db2.gz GOSMKWOLVQIADD-OWCLPIDISA-N 2 1 341.496 1.630 20 0 EDADMP CN(C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000497201270 447952203 /nfs/dbraw/zinc/95/22/03/447952203.db2.gz GOSMKWOLVQIADD-OWCLPIDISA-N 2 1 341.496 1.630 20 0 EDADMP C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000570187726 447961481 /nfs/dbraw/zinc/96/14/81/447961481.db2.gz MKHKDFIMLTWKKD-BMGDILEWSA-N 2 1 346.475 1.312 20 0 EDADMP C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000570187726 447961485 /nfs/dbraw/zinc/96/14/85/447961485.db2.gz MKHKDFIMLTWKKD-BMGDILEWSA-N 2 1 346.475 1.312 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000530814263 447962249 /nfs/dbraw/zinc/96/22/49/447962249.db2.gz PPOZRYZBHIUJFV-KRWDZBQOSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530573870 447917079 /nfs/dbraw/zinc/91/70/79/447917079.db2.gz XVHNBGJVRUSTBL-XLIONFOSSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530573870 447917087 /nfs/dbraw/zinc/91/70/87/447917087.db2.gz XVHNBGJVRUSTBL-XLIONFOSSA-N 2 1 345.487 1.472 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530587719 447921847 /nfs/dbraw/zinc/92/18/47/447921847.db2.gz SDOYCYWKSPNSFM-QUCCMNQESA-N 2 1 345.487 1.424 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530587719 447921853 /nfs/dbraw/zinc/92/18/53/447921853.db2.gz SDOYCYWKSPNSFM-QUCCMNQESA-N 2 1 345.487 1.424 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000530587719 447921860 /nfs/dbraw/zinc/92/18/60/447921860.db2.gz SDOYCYWKSPNSFM-QUCCMNQESA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CC[NH+](C)C3)c2)CCO1 ZINC000524300322 447924909 /nfs/dbraw/zinc/92/49/09/447924909.db2.gz KYOVRTVWXYFESJ-MAUKXSAKSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CC[NH+](C)C3)c2)CCO1 ZINC000524300322 447924916 /nfs/dbraw/zinc/92/49/16/447924916.db2.gz KYOVRTVWXYFESJ-MAUKXSAKSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)c2)CCO1 ZINC000524300322 447924920 /nfs/dbraw/zinc/92/49/20/447924920.db2.gz KYOVRTVWXYFESJ-MAUKXSAKSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)c2)CCO1 ZINC000524300322 447924928 /nfs/dbraw/zinc/92/49/28/447924928.db2.gz KYOVRTVWXYFESJ-MAUKXSAKSA-N 2 1 331.460 1.475 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000530662104 447936447 /nfs/dbraw/zinc/93/64/47/447936447.db2.gz INHKLTSWLUAABA-CQSZACIVSA-N 2 1 346.475 1.453 20 0 EDADMP C[C@@H]1[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCC12CCOCC2 ZINC000497223045 447977116 /nfs/dbraw/zinc/97/71/16/447977116.db2.gz RTYBIEKIMAGMBD-HNAYVOBHSA-N 2 1 349.475 1.752 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000525603233 448005317 /nfs/dbraw/zinc/00/53/17/448005317.db2.gz ORWIIJBNXIKNQN-GOSISDBHSA-N 2 1 348.491 1.378 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000525603233 448005326 /nfs/dbraw/zinc/00/53/26/448005326.db2.gz ORWIIJBNXIKNQN-GOSISDBHSA-N 2 1 348.491 1.378 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000525603233 448005330 /nfs/dbraw/zinc/00/53/30/448005330.db2.gz ORWIIJBNXIKNQN-GOSISDBHSA-N 2 1 348.491 1.378 20 0 EDADMP Cn1nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1C1CC1 ZINC000525658410 448008143 /nfs/dbraw/zinc/00/81/43/448008143.db2.gz XVQIZGXCGXBTAS-UHFFFAOYSA-N 2 1 340.431 1.697 20 0 EDADMP C[C@@H](CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+]1CCCC1 ZINC000525748530 448019965 /nfs/dbraw/zinc/01/99/65/448019965.db2.gz IQGQTWCVDUWRDO-PKOBYXMFSA-N 2 1 345.487 1.878 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)[NH+](C)C1 ZINC000500786492 448089030 /nfs/dbraw/zinc/08/90/30/448089030.db2.gz QPBRSSRPGPIZOO-ULQDDVLXSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)[N@H+](C)C1 ZINC000500786492 448089035 /nfs/dbraw/zinc/08/90/35/448089035.db2.gz QPBRSSRPGPIZOO-ULQDDVLXSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)[N@@H+](C)C1 ZINC000500786492 448089040 /nfs/dbraw/zinc/08/90/40/448089040.db2.gz QPBRSSRPGPIZOO-ULQDDVLXSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000570798907 448067929 /nfs/dbraw/zinc/06/79/29/448067929.db2.gz HPHUYLZCZZXVGH-TXJVSEOTSA-N 2 1 343.471 1.392 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000570798907 448067936 /nfs/dbraw/zinc/06/79/36/448067936.db2.gz HPHUYLZCZZXVGH-TXJVSEOTSA-N 2 1 343.471 1.392 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000571184150 448120491 /nfs/dbraw/zinc/12/04/91/448120491.db2.gz UMXMYGYVYUJJEE-NJAFHUGGSA-N 2 1 330.476 1.887 20 0 EDADMP Cn1ccnc1N1CC[NH+](C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000576713884 448124084 /nfs/dbraw/zinc/12/40/84/448124084.db2.gz FHRWQERRLDWTJR-SFHVURJKSA-N 2 1 341.459 1.448 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000571303871 448133747 /nfs/dbraw/zinc/13/37/47/448133747.db2.gz BZBSJBNOLRANRQ-KBAYOESNSA-N 2 1 330.476 1.948 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000571702126 448193373 /nfs/dbraw/zinc/19/33/73/448193373.db2.gz DCHZZLQMYSTNKH-ZWKOTPCHSA-N 2 1 330.476 1.697 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NCC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000577013457 448193860 /nfs/dbraw/zinc/19/38/60/448193860.db2.gz WUECUOVXMQLOBY-UHFFFAOYSA-N 2 1 337.508 1.870 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH3+])CCC3)cc2)C1 ZINC000571757320 448200593 /nfs/dbraw/zinc/20/05/93/448200593.db2.gz BRIWCJWIALLBNR-CQSZACIVSA-N 2 1 330.432 1.204 20 0 EDADMP C[C@@H](CNC(=O)NCC1=CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000571893031 448230677 /nfs/dbraw/zinc/23/06/77/448230677.db2.gz DHSGFSXVQGOYQF-HNNXBMFYSA-N 2 1 328.460 1.652 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H]3C[C@@H](OC)C3)CC2)CC1 ZINC000571895437 448230705 /nfs/dbraw/zinc/23/07/05/448230705.db2.gz ORLPSOLMTNXUAP-HDICACEKSA-N 2 1 337.508 1.819 20 0 EDADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC(=O)NCc1ccccc1 ZINC000571882599 448225844 /nfs/dbraw/zinc/22/58/44/448225844.db2.gz MGWJYYLLWRHIJP-IBGZPJMESA-N 2 1 344.459 1.478 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000591130252 448269215 /nfs/dbraw/zinc/26/92/15/448269215.db2.gz XUINYEMDOLBHHS-KRWDZBQOSA-N 2 1 346.475 1.791 20 0 EDADMP Cn1c2nnc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)n2c2ccccc2c1=O ZINC000515060627 448253220 /nfs/dbraw/zinc/25/32/20/448253220.db2.gz WKEJSIDNOVLAKT-ZDUSSCGKSA-N 2 1 340.431 1.142 20 0 EDADMP Cn1c2nnc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)n2c2ccccc2c1=O ZINC000515060627 448253222 /nfs/dbraw/zinc/25/32/22/448253222.db2.gz WKEJSIDNOVLAKT-ZDUSSCGKSA-N 2 1 340.431 1.142 20 0 EDADMP CC[N@H+](CCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(C)C ZINC000532428048 448258694 /nfs/dbraw/zinc/25/86/94/448258694.db2.gz HQWRMZVTFCJNGR-IRXDYDNUSA-N 2 1 340.512 1.659 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(C)C ZINC000532428048 448258701 /nfs/dbraw/zinc/25/87/01/448258701.db2.gz HQWRMZVTFCJNGR-IRXDYDNUSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000577471470 448305126 /nfs/dbraw/zinc/30/51/26/448305126.db2.gz BQJYHCFWUFIKAE-OAHLLOKOSA-N 2 1 345.491 1.480 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000582794956 448342969 /nfs/dbraw/zinc/34/29/69/448342969.db2.gz KBZDJYBSEMAYIO-ZBFHGGJFSA-N 2 1 325.840 1.126 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000582794956 448342970 /nfs/dbraw/zinc/34/29/70/448342970.db2.gz KBZDJYBSEMAYIO-ZBFHGGJFSA-N 2 1 325.840 1.126 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)N[C@H]2CCC[NH+](C)C2)cc1 ZINC000527801336 448363245 /nfs/dbraw/zinc/36/32/45/448363245.db2.gz ULJJNHPRTVZCNN-DLBZAZTESA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N[C@H]2CCC[NH+](C)C2)cc1 ZINC000527801336 448363252 /nfs/dbraw/zinc/36/32/52/448363252.db2.gz ULJJNHPRTVZCNN-DLBZAZTESA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000527801336 448363258 /nfs/dbraw/zinc/36/32/58/448363258.db2.gz ULJJNHPRTVZCNN-DLBZAZTESA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000527801336 448363263 /nfs/dbraw/zinc/36/32/63/448363263.db2.gz ULJJNHPRTVZCNN-DLBZAZTESA-N 2 1 346.475 1.663 20 0 EDADMP C[C@@H]1COCCN1CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000591573202 448393033 /nfs/dbraw/zinc/39/30/33/448393033.db2.gz KJDLTQVCZGRYKR-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000572638906 448429861 /nfs/dbraw/zinc/42/98/61/448429861.db2.gz GRJWERLYUXMLBD-VQIMIIECSA-N 2 1 344.503 1.263 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000591701275 448460352 /nfs/dbraw/zinc/46/03/52/448460352.db2.gz MLWXFEFBZJAJFQ-ZDUSSCGKSA-N 2 1 336.461 1.989 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H](C)O1 ZINC000566437037 448469486 /nfs/dbraw/zinc/46/94/86/448469486.db2.gz UKHZFVUELYOJAL-ZACQAIPSSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H](C)O1 ZINC000566437037 448469488 /nfs/dbraw/zinc/46/94/88/448469488.db2.gz UKHZFVUELYOJAL-ZACQAIPSSA-N 2 1 337.508 1.819 20 0 EDADMP COc1cccc(NC(=O)C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000516858069 448483211 /nfs/dbraw/zinc/48/32/11/448483211.db2.gz ZEMGRLNKQCZDFI-YJBOKZPZSA-N 2 1 347.459 1.852 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000591865216 448508056 /nfs/dbraw/zinc/50/80/56/448508056.db2.gz MXRYOAMWKPZYHX-HZPDHXFCSA-N 2 1 344.459 1.274 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000591865216 448508062 /nfs/dbraw/zinc/50/80/62/448508062.db2.gz MXRYOAMWKPZYHX-HZPDHXFCSA-N 2 1 344.459 1.274 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000591865216 448508063 /nfs/dbraw/zinc/50/80/63/448508063.db2.gz MXRYOAMWKPZYHX-HZPDHXFCSA-N 2 1 344.459 1.274 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000572992464 448516996 /nfs/dbraw/zinc/51/69/96/448516996.db2.gz MWZUBKGKKKWYML-XUJLQICISA-N 2 1 326.481 1.932 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000572992464 448517002 /nfs/dbraw/zinc/51/70/02/448517002.db2.gz MWZUBKGKKKWYML-XUJLQICISA-N 2 1 326.481 1.932 20 0 EDADMP Cc1nc(CC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c(C)o1 ZINC000536576728 448530785 /nfs/dbraw/zinc/53/07/85/448530785.db2.gz UJYSMGSPJIMGEI-UHFFFAOYSA-N 2 1 330.436 1.166 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000578546876 448578131 /nfs/dbraw/zinc/57/81/31/448578131.db2.gz RNGVJARXDVGWNZ-MJGOQNOKSA-N 2 1 344.503 1.433 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000578422873 448539936 /nfs/dbraw/zinc/53/99/36/448539936.db2.gz HHAMVRMTBMACSM-RHSMWYFYSA-N 2 1 327.428 1.747 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000578422873 448539941 /nfs/dbraw/zinc/53/99/41/448539941.db2.gz HHAMVRMTBMACSM-RHSMWYFYSA-N 2 1 327.428 1.747 20 0 EDADMP Cc1nc(NC[C@H]2CCC[N@H+](C)C2)cc(NC[C@H]2CCC[NH+](C)C2)[nH+]1 ZINC000536987872 448549003 /nfs/dbraw/zinc/54/90/03/448549003.db2.gz OVJVILWESPPLJM-IAGOWNOFSA-N 3 1 346.523 2.292 20 0 EDADMP Cc1nc(NC[C@H]2CCC[NH+](C)C2)cc(NC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000536987872 448549008 /nfs/dbraw/zinc/54/90/08/448549008.db2.gz OVJVILWESPPLJM-IAGOWNOFSA-N 3 1 346.523 2.292 20 0 EDADMP Cc1nc(NC[C@H]2CCC[NH+](C)C2)cc(NC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000536987872 448549013 /nfs/dbraw/zinc/54/90/13/448549013.db2.gz OVJVILWESPPLJM-IAGOWNOFSA-N 3 1 346.523 2.292 20 0 EDADMP Cc1nc(NC[C@H]2CCC[NH+](C)C2)cc(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000536987872 448549023 /nfs/dbraw/zinc/54/90/23/448549023.db2.gz OVJVILWESPPLJM-IAGOWNOFSA-N 2 1 346.523 2.292 20 0 EDADMP Cc1nc(NC[C@H]2CCC[NH+](C)C2)cc(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000536987872 448549029 /nfs/dbraw/zinc/54/90/29/448549029.db2.gz OVJVILWESPPLJM-IAGOWNOFSA-N 2 1 346.523 2.292 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)C1 ZINC000567059981 448606211 /nfs/dbraw/zinc/60/62/11/448606211.db2.gz KMFQCOSZFPIQIV-ZBFHGGJFSA-N 2 1 335.448 1.268 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000573407131 448618389 /nfs/dbraw/zinc/61/83/89/448618389.db2.gz FPMPPNCDLODPAA-FUHWJXTLSA-N 2 1 337.508 1.747 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000578730491 448619704 /nfs/dbraw/zinc/61/97/04/448619704.db2.gz GKXJVLMILCABGT-HZPDHXFCSA-N 2 1 339.528 1.090 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000566923757 448587274 /nfs/dbraw/zinc/58/72/74/448587274.db2.gz JZRJYPQICQTJAD-GDBMZVCRSA-N 2 1 325.522 1.757 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(OC)CC3)CC2)CC1 ZINC000518394428 448674378 /nfs/dbraw/zinc/67/43/78/448674378.db2.gz SQKQYNROFKUNRW-UHFFFAOYSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2C[NH2+]CCN2C)cc1)C(C)C ZINC000567268631 448655421 /nfs/dbraw/zinc/65/54/21/448655421.db2.gz MBGOTWJUDPXVQZ-GOSISDBHSA-N 2 1 332.492 1.550 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3nnc(C)[nH]3)CC2)CC1 ZINC000567177902 448631545 /nfs/dbraw/zinc/63/15/45/448631545.db2.gz QTDYYRMRDWKBCK-ZDUSSCGKSA-N 2 1 348.495 1.487 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C[C@H](C)[N@H+]1CCO ZINC000528701500 448636814 /nfs/dbraw/zinc/63/68/14/448636814.db2.gz AYLVQSIQSJUZJX-OKILXGFUSA-N 2 1 348.447 1.087 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C[C@H](C)[N@@H+]1CCO ZINC000528701500 448636818 /nfs/dbraw/zinc/63/68/18/448636818.db2.gz AYLVQSIQSJUZJX-OKILXGFUSA-N 2 1 348.447 1.087 20 0 EDADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000567352236 448674237 /nfs/dbraw/zinc/67/42/37/448674237.db2.gz VXRFXADYISRXGG-ZIAGYGMSSA-N 2 1 346.475 1.504 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)C3(C[NH3+])CCCC3)cc2)CC1 ZINC000567497375 448703406 /nfs/dbraw/zinc/70/34/06/448703406.db2.gz SYMCDKIEGCSRSG-UHFFFAOYSA-N 2 1 330.476 1.892 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000567514299 448707675 /nfs/dbraw/zinc/70/76/75/448707675.db2.gz NXYBEYXWYULDKL-HNNXBMFYSA-N 2 1 341.402 1.378 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000567514299 448707681 /nfs/dbraw/zinc/70/76/81/448707681.db2.gz NXYBEYXWYULDKL-HNNXBMFYSA-N 2 1 341.402 1.378 20 0 EDADMP COC[C@]1(CNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CCC[NH2+]1 ZINC000573786132 448711233 /nfs/dbraw/zinc/71/12/33/448711233.db2.gz AMRQRWLCJUVBSA-WMLDXEAASA-N 2 1 326.485 1.175 20 0 EDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000567604311 448723060 /nfs/dbraw/zinc/72/30/60/448723060.db2.gz ONWFQGBSHKPUDF-DLBZAZTESA-N 2 1 337.489 1.582 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000567382911 448682508 /nfs/dbraw/zinc/68/25/08/448682508.db2.gz DHLPNDUHGVQPGP-UHFFFAOYSA-N 2 1 347.507 1.313 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000567382911 448682513 /nfs/dbraw/zinc/68/25/13/448682513.db2.gz DHLPNDUHGVQPGP-UHFFFAOYSA-N 2 1 347.507 1.313 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000579210634 448739195 /nfs/dbraw/zinc/73/91/95/448739195.db2.gz GIOFEQSVMWFJOL-IXDOHACOSA-N 2 1 338.496 1.269 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000567718494 448747986 /nfs/dbraw/zinc/74/79/86/448747986.db2.gz BZMDKNIEMBRZKC-NUJGCVRESA-N 2 1 339.524 1.968 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000529094363 448757886 /nfs/dbraw/zinc/75/78/86/448757886.db2.gz RAJZTMZJEGQFMS-OAHLLOKOSA-N 2 1 347.488 1.937 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000529094363 448757890 /nfs/dbraw/zinc/75/78/90/448757890.db2.gz RAJZTMZJEGQFMS-OAHLLOKOSA-N 2 1 347.488 1.937 20 0 EDADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC(=O)N(C)C2=O)CC1 ZINC000519641582 448809319 /nfs/dbraw/zinc/80/93/19/448809319.db2.gz UMKCXQTVCSATHD-MAUKXSAKSA-N 2 1 343.471 1.819 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)NCCCC[NH3+])c2cccs2)CC1 ZINC000574023820 448771446 /nfs/dbraw/zinc/77/14/46/448771446.db2.gz YUBFIHOGYAWMAY-CQSZACIVSA-N 2 1 339.509 1.075 20 0 EDADMP CC[NH+]1CCC(CNC(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000579406613 448784683 /nfs/dbraw/zinc/78/46/83/448784683.db2.gz LEFQOSYLGMVWGQ-UHFFFAOYSA-N 2 1 339.528 1.045 20 0 EDADMP COc1cc(NC(=O)C[N@H+](C)CCCc2c[nH+]cn2C)cc(OC)c1 ZINC000568164869 448825843 /nfs/dbraw/zinc/82/58/43/448825843.db2.gz BYPCAEKMLICZAW-UHFFFAOYSA-N 2 1 346.431 1.940 20 0 EDADMP COc1cc(NC(=O)C[N@@H+](C)CCCc2c[nH+]cn2C)cc(OC)c1 ZINC000568164869 448825848 /nfs/dbraw/zinc/82/58/48/448825848.db2.gz BYPCAEKMLICZAW-UHFFFAOYSA-N 2 1 346.431 1.940 20 0 EDADMP O=C(NC[C@H]1CCCC[NH+]1CCO)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000519744909 448831803 /nfs/dbraw/zinc/83/18/03/448831803.db2.gz OVKSSERTRUQXER-QZTJIDSGSA-N 2 1 337.508 1.747 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493993 448861802 /nfs/dbraw/zinc/86/18/02/448861802.db2.gz YKQDSGXRERELLI-JYJNAYRXSA-N 2 1 338.496 1.568 20 0 EDADMP Cn1ccnc1[C@@H]1CC[N@@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000574581428 448908121 /nfs/dbraw/zinc/90/81/21/448908121.db2.gz KHOHNFTZCWHXMM-NEPJUHHUSA-N 2 1 330.354 1.763 20 0 EDADMP Cn1ccnc1[C@@H]1CC[N@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000574581428 448908128 /nfs/dbraw/zinc/90/81/28/448908128.db2.gz KHOHNFTZCWHXMM-NEPJUHHUSA-N 2 1 330.354 1.763 20 0 EDADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000568880155 448935479 /nfs/dbraw/zinc/93/54/79/448935479.db2.gz NOQRAOBZOOUIPI-PKOBYXMFSA-N 2 1 348.487 1.609 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000568880155 448935482 /nfs/dbraw/zinc/93/54/82/448935482.db2.gz NOQRAOBZOOUIPI-PKOBYXMFSA-N 2 1 348.487 1.609 20 0 EDADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c1 ZINC000579947159 448917832 /nfs/dbraw/zinc/91/78/32/448917832.db2.gz VJEAVQAZTXNWGC-UHFFFAOYSA-N 2 1 340.489 1.168 20 0 EDADMP COC(=O)c1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c[nH]1 ZINC000589195936 448986724 /nfs/dbraw/zinc/98/67/24/448986724.db2.gz OZBBCRHDDMTKRG-INIZCTEOSA-N 2 1 334.464 1.402 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c[nH]1 ZINC000589195936 448986727 /nfs/dbraw/zinc/98/67/27/448986727.db2.gz OZBBCRHDDMTKRG-INIZCTEOSA-N 2 1 334.464 1.402 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000569100994 448961138 /nfs/dbraw/zinc/96/11/38/448961138.db2.gz WJFFFUHRANSZGR-JKSUJKDBSA-N 2 1 330.476 1.454 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000574861575 448972119 /nfs/dbraw/zinc/97/21/19/448972119.db2.gz LMCJOWFSOIGTJV-BPQIPLTHSA-N 2 1 330.476 1.887 20 0 EDADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548720402 449089885 /nfs/dbraw/zinc/08/98/85/449089885.db2.gz XZUKZDOYGZRQQC-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548720402 449089892 /nfs/dbraw/zinc/08/98/92/449089892.db2.gz XZUKZDOYGZRQQC-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548720402 449089898 /nfs/dbraw/zinc/08/98/98/449089898.db2.gz XZUKZDOYGZRQQC-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900830 449241985 /nfs/dbraw/zinc/24/19/85/449241985.db2.gz MVIFYSJWOUPKIM-GDBMZVCRSA-N 2 1 338.496 1.568 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)ccn2)CC1 ZINC000617014925 449431109 /nfs/dbraw/zinc/43/11/09/449431109.db2.gz QXMAVSNSRCMARG-MRXNPFEDSA-N 2 1 345.491 1.436 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]CC1([NH3+])CCOCC1 ZINC000600678522 449486734 /nfs/dbraw/zinc/48/67/34/449486734.db2.gz SAQNEQIDEZDBES-UHFFFAOYSA-N 2 1 338.452 1.049 20 0 EDADMP CC[C@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1ccc(C(=O)OC)cc1 ZINC000600714960 449512954 /nfs/dbraw/zinc/51/29/54/449512954.db2.gz WCCSUXHJCLHRSE-IRXDYDNUSA-N 2 1 343.431 1.840 20 0 EDADMP C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@H+]1CCCC[C@@H]1C ZINC000607230708 449588596 /nfs/dbraw/zinc/58/85/96/449588596.db2.gz BACGGJBNCJQGKB-DLBZAZTESA-N 3 1 341.544 1.384 20 0 EDADMP COC(=O)[C@@](C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000594614875 449594850 /nfs/dbraw/zinc/59/48/50/449594850.db2.gz PUIJIPWZXDOHAH-ICSRJNTNSA-N 2 1 346.471 1.960 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000617505263 449653214 /nfs/dbraw/zinc/65/32/14/449653214.db2.gz ZMQAQOFDSNJHEL-AWEZNQCLSA-N 2 1 347.463 1.130 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000617505263 449653216 /nfs/dbraw/zinc/65/32/16/449653216.db2.gz ZMQAQOFDSNJHEL-AWEZNQCLSA-N 2 1 347.463 1.130 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000617505450 449653933 /nfs/dbraw/zinc/65/39/33/449653933.db2.gz CTYNOYKXTGXWRB-GUYCJALGSA-N 2 1 337.439 1.517 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000617505450 449653937 /nfs/dbraw/zinc/65/39/37/449653937.db2.gz CTYNOYKXTGXWRB-GUYCJALGSA-N 2 1 337.439 1.517 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@H+]1C ZINC000607690484 449636119 /nfs/dbraw/zinc/63/61/19/449636119.db2.gz UERTVDSHYHMDRN-NJAFHUGGSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC[NH+]1C ZINC000607690484 449636125 /nfs/dbraw/zinc/63/61/25/449636125.db2.gz UERTVDSHYHMDRN-NJAFHUGGSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[NH+]1C ZINC000607690484 449636130 /nfs/dbraw/zinc/63/61/30/449636130.db2.gz UERTVDSHYHMDRN-NJAFHUGGSA-N 2 1 330.476 1.893 20 0 EDADMP COC(=O)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1F ZINC000597056227 449787836 /nfs/dbraw/zinc/78/78/36/449787836.db2.gz AWFIOPBVBUXGQH-OAHLLOKOSA-N 2 1 338.423 1.939 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000617700682 449747108 /nfs/dbraw/zinc/74/71/08/449747108.db2.gz JOFJYQPXKZTZKC-ROUUACIJSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617700682 449747113 /nfs/dbraw/zinc/74/71/13/449747113.db2.gz JOFJYQPXKZTZKC-ROUUACIJSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617700682 449747116 /nfs/dbraw/zinc/74/71/16/449747116.db2.gz JOFJYQPXKZTZKC-ROUUACIJSA-N 2 1 331.460 1.354 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000594942608 449815038 /nfs/dbraw/zinc/81/50/38/449815038.db2.gz KEMMAIZUJVQHRL-VIBAHUMZSA-N 2 1 332.444 1.540 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000608361788 449819261 /nfs/dbraw/zinc/81/92/61/449819261.db2.gz QRRADVCRXJXRAO-IRXDYDNUSA-N 2 1 341.496 1.007 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000594975322 449826445 /nfs/dbraw/zinc/82/64/45/449826445.db2.gz QUWLTHCHWABBIX-BVPBIZIASA-N 2 1 332.444 1.540 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000617765280 449827370 /nfs/dbraw/zinc/82/73/70/449827370.db2.gz ZPMINKVVSRFGGS-UHFFFAOYSA-N 2 1 346.519 1.435 20 0 EDADMP COC(=O)c1coc([C@H](C)[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000601327167 449834568 /nfs/dbraw/zinc/83/45/68/449834568.db2.gz ZYEOTYSJERWGHH-XPCVCDNBSA-N 2 1 337.420 1.741 20 0 EDADMP COC(=O)c1coc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000601327167 449834572 /nfs/dbraw/zinc/83/45/72/449834572.db2.gz ZYEOTYSJERWGHH-XPCVCDNBSA-N 2 1 337.420 1.741 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612988202 449972419 /nfs/dbraw/zinc/97/24/19/449972419.db2.gz PDWXEFVRZMSBEA-MRXNPFEDSA-N 2 1 334.464 1.885 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc4ccccc4n3)C2)CC1 ZINC000595311523 450023694 /nfs/dbraw/zinc/02/36/94/450023694.db2.gz HLRGNXPGMJFDPI-KRWDZBQOSA-N 2 1 325.460 1.842 20 0 EDADMP C[NH+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000615262480 450025236 /nfs/dbraw/zinc/02/52/36/450025236.db2.gz GHDIKWHINPCBOO-UHOSZYNNSA-N 2 1 349.519 1.963 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NCCC[NH+](C)C)cc1 ZINC000623366692 450506899 /nfs/dbraw/zinc/50/68/99/450506899.db2.gz DPNPGBLIUYSCSB-MRXNPFEDSA-N 2 1 334.464 1.520 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NCCC[NH+](C)C)cc1 ZINC000623366692 450506901 /nfs/dbraw/zinc/50/69/01/450506901.db2.gz DPNPGBLIUYSCSB-MRXNPFEDSA-N 2 1 334.464 1.520 20 0 EDADMP CC[NH+]1CCN(CCC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000620770528 450540929 /nfs/dbraw/zinc/54/09/29/450540929.db2.gz CCVPAWHFPKSUPO-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1)c1ccccc1 ZINC000626015270 450554399 /nfs/dbraw/zinc/55/43/99/450554399.db2.gz OTDYFDSCOLBERN-CMKODMSKSA-N 2 1 345.487 1.500 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)CC1(C)C ZINC000623650549 450559641 /nfs/dbraw/zinc/55/96/41/450559641.db2.gz MCCSQUVLDZTYQS-KBPBESRZSA-N 2 1 329.452 1.165 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1CC[NH+](CC3CC3)CC1)CC2 ZINC000620935307 450564407 /nfs/dbraw/zinc/56/44/07/450564407.db2.gz IAVWKISTTBHENL-KRWDZBQOSA-N 2 1 330.476 1.992 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000635059582 450613030 /nfs/dbraw/zinc/61/30/30/450613030.db2.gz WOEAKJUOSBEUGT-UHFFFAOYSA-N 2 1 345.447 1.081 20 0 EDADMP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000621014820 450573240 /nfs/dbraw/zinc/57/32/40/450573240.db2.gz IVFORPKSRDRKNS-MSOLQXFVSA-N 2 1 328.460 1.928 20 0 EDADMP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000621014820 450573242 /nfs/dbraw/zinc/57/32/42/450573242.db2.gz IVFORPKSRDRKNS-MSOLQXFVSA-N 2 1 328.460 1.928 20 0 EDADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000631576512 450663227 /nfs/dbraw/zinc/66/32/27/450663227.db2.gz BANBQEBJGLOUTL-QAPCUYQASA-N 2 1 331.460 1.860 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000631654714 450697402 /nfs/dbraw/zinc/69/74/02/450697402.db2.gz PAHOBHGJVSAIMV-HNNXBMFYSA-N 2 1 343.493 1.678 20 0 EDADMP FC(F)CN1CCC[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000624097896 450705751 /nfs/dbraw/zinc/70/57/51/450705751.db2.gz ILLVVTKMKROALQ-HZPDHXFCSA-N 2 1 331.451 1.949 20 0 EDADMP Cc1cncc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000629553510 450732423 /nfs/dbraw/zinc/73/24/23/450732423.db2.gz WLCFUMVZIQVURK-QGZVFWFLSA-N 2 1 340.475 1.902 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000629567532 450740435 /nfs/dbraw/zinc/74/04/35/450740435.db2.gz OXEDSHLCZZLZQI-NSHDSACASA-N 2 1 331.819 1.974 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000629567532 450740441 /nfs/dbraw/zinc/74/04/41/450740441.db2.gz OXEDSHLCZZLZQI-NSHDSACASA-N 2 1 331.819 1.974 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000629570538 450743115 /nfs/dbraw/zinc/74/31/15/450743115.db2.gz ZBUMZZSIUFDXEN-UHFFFAOYSA-N 2 1 344.459 1.220 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000629570538 450743121 /nfs/dbraw/zinc/74/31/21/450743121.db2.gz ZBUMZZSIUFDXEN-UHFFFAOYSA-N 2 1 344.459 1.220 20 0 EDADMP O[C@H](C[NH2+]C[C@H]1CSCCN1Cc1ccccc1)C[NH+]1CCCC1 ZINC000629575434 450744500 /nfs/dbraw/zinc/74/45/00/450744500.db2.gz NLTJZOBBVLASDL-RBUKOAKNSA-N 2 1 349.544 1.650 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000621508109 450749584 /nfs/dbraw/zinc/74/95/84/450749584.db2.gz CBCHVALVDKCGSX-RTBURBONSA-N 2 1 346.519 1.855 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000621508109 450749588 /nfs/dbraw/zinc/74/95/88/450749588.db2.gz CBCHVALVDKCGSX-RTBURBONSA-N 2 1 346.519 1.855 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000621508109 450749593 /nfs/dbraw/zinc/74/95/93/450749593.db2.gz CBCHVALVDKCGSX-RTBURBONSA-N 2 1 346.519 1.855 20 0 EDADMP C[NH+](C)CC1(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000635254553 450786827 /nfs/dbraw/zinc/78/68/27/450786827.db2.gz VZOVLJMLFWUTJZ-UHFFFAOYSA-N 2 1 330.476 1.267 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000631936127 450894088 /nfs/dbraw/zinc/89/40/88/450894088.db2.gz URLYGDDVSFZHQY-OAHLLOKOSA-N 2 1 345.896 1.568 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000631950091 450908846 /nfs/dbraw/zinc/90/88/46/450908846.db2.gz YHTGGQYQPJSWQB-HNNXBMFYSA-N 2 1 329.510 1.122 20 0 EDADMP CCNc1ncc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000624549357 450890429 /nfs/dbraw/zinc/89/04/29/450890429.db2.gz XEYQWMOMYYBFFK-UHFFFAOYSA-N 2 1 346.460 1.974 20 0 EDADMP C[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CCC1 ZINC000630000769 450945416 /nfs/dbraw/zinc/94/54/16/450945416.db2.gz QDYAQRPBNAUSNI-QGZVFWFLSA-N 2 1 330.476 1.233 20 0 EDADMP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000626855842 450962745 /nfs/dbraw/zinc/96/27/45/450962745.db2.gz HAYIRKUNHQYTEC-HNNXBMFYSA-N 2 1 346.475 1.664 20 0 EDADMP CCc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)n(C)n1 ZINC000635464114 450964221 /nfs/dbraw/zinc/96/42/21/450964221.db2.gz GBBRQZYPQSDIMG-MRXNPFEDSA-N 2 1 335.496 1.471 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000632012686 450967532 /nfs/dbraw/zinc/96/75/32/450967532.db2.gz WDKYYMWWAIHIBN-YJBOKZPZSA-N 2 1 345.491 1.534 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000635489547 450986535 /nfs/dbraw/zinc/98/65/35/450986535.db2.gz FXHZPVKGZVTCAV-OAHLLOKOSA-N 2 1 338.452 1.101 20 0 EDADMP CCN(CC[NH3+])C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000626935483 451017532 /nfs/dbraw/zinc/01/75/32/451017532.db2.gz JJRQABJFGZRLJM-UHFFFAOYSA-N 2 1 347.507 1.185 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000626936222 451018311 /nfs/dbraw/zinc/01/83/11/451018311.db2.gz DQXLWBAHSCFTTF-XYJFISCASA-N 2 1 345.491 1.247 20 0 EDADMP COCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC000635530692 451025666 /nfs/dbraw/zinc/02/56/66/451025666.db2.gz JGAWLEHUILJBOJ-GOSISDBHSA-N 2 1 333.476 1.388 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC000635530692 451025673 /nfs/dbraw/zinc/02/56/73/451025673.db2.gz JGAWLEHUILJBOJ-GOSISDBHSA-N 2 1 333.476 1.388 20 0 EDADMP COCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC000635530692 451025678 /nfs/dbraw/zinc/02/56/78/451025678.db2.gz JGAWLEHUILJBOJ-GOSISDBHSA-N 2 1 333.476 1.388 20 0 EDADMP COCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC000635530692 451025684 /nfs/dbraw/zinc/02/56/84/451025684.db2.gz JGAWLEHUILJBOJ-GOSISDBHSA-N 2 1 333.476 1.388 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCOCCC[NH3+])C1 ZINC000626947118 451025699 /nfs/dbraw/zinc/02/56/99/451025699.db2.gz LPFQWAWZKTUOOU-DOTOQJQBSA-N 2 1 334.464 1.487 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627930654 451030157 /nfs/dbraw/zinc/03/01/57/451030157.db2.gz QEVDEDTYKRGXJX-UHFFFAOYSA-N 2 1 347.459 1.220 20 0 EDADMP C[C@H]1C[C@H](NS(=O)(=O)CCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000632095876 451032313 /nfs/dbraw/zinc/03/23/13/451032313.db2.gz LTMMUVKZTFSBDF-RDJZCZTQSA-N 2 1 339.505 1.521 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000626964903 451038372 /nfs/dbraw/zinc/03/83/72/451038372.db2.gz LLAYAVIIDMLDFD-DGCLKSJQSA-N 2 1 336.402 1.639 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626966471 451038827 /nfs/dbraw/zinc/03/88/27/451038827.db2.gz VRAUJANPDQDGDJ-WBVHZDCISA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000635572591 451072152 /nfs/dbraw/zinc/07/21/52/451072152.db2.gz MFBKAMYJQKYPBS-ULQDDVLXSA-N 2 1 325.497 1.581 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](C)C1 ZINC000635572591 451072156 /nfs/dbraw/zinc/07/21/56/451072156.db2.gz MFBKAMYJQKYPBS-ULQDDVLXSA-N 2 1 325.497 1.581 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](C)C1 ZINC000635572591 451072160 /nfs/dbraw/zinc/07/21/60/451072160.db2.gz MFBKAMYJQKYPBS-ULQDDVLXSA-N 2 1 325.497 1.581 20 0 EDADMP C[NH2+]CCOCCNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000627011695 451076119 /nfs/dbraw/zinc/07/61/19/451076119.db2.gz IBDNWYUBTNWETP-UHFFFAOYSA-N 2 1 335.452 1.025 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[NH+](CCCF)CC1 ZINC000627956920 451049380 /nfs/dbraw/zinc/04/93/80/451049380.db2.gz DIGGQDZMZDQBHP-UHFFFAOYSA-N 2 1 337.439 1.744 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627212341 451189960 /nfs/dbraw/zinc/18/99/60/451189960.db2.gz MEWOVVPTBDJXLN-DLBZAZTESA-N 2 1 340.512 1.648 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000635741691 451212289 /nfs/dbraw/zinc/21/22/89/451212289.db2.gz YXQKKMFBLFUSMM-UHFFFAOYSA-N 2 1 347.503 1.466 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000635741691 451212291 /nfs/dbraw/zinc/21/22/91/451212291.db2.gz YXQKKMFBLFUSMM-UHFFFAOYSA-N 2 1 347.503 1.466 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000635741691 451212294 /nfs/dbraw/zinc/21/22/94/451212294.db2.gz YXQKKMFBLFUSMM-UHFFFAOYSA-N 2 1 347.503 1.466 20 0 EDADMP C[C@@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000638086244 451251503 /nfs/dbraw/zinc/25/15/03/451251503.db2.gz QOKSMKKKFYFSDM-PKOBYXMFSA-N 2 1 346.519 1.682 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C)c3)C2)C1 ZINC000634275836 451265683 /nfs/dbraw/zinc/26/56/83/451265683.db2.gz VHMGDRKHQYYBDG-QZTJIDSGSA-N 2 1 331.460 1.406 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C)c3)C2)C1 ZINC000634275836 451265689 /nfs/dbraw/zinc/26/56/89/451265689.db2.gz VHMGDRKHQYYBDG-QZTJIDSGSA-N 2 1 331.460 1.406 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)C1 ZINC000634275836 451265694 /nfs/dbraw/zinc/26/56/94/451265694.db2.gz VHMGDRKHQYYBDG-QZTJIDSGSA-N 2 1 331.460 1.406 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C)c3)C2)C1 ZINC000634275836 451265698 /nfs/dbraw/zinc/26/56/98/451265698.db2.gz VHMGDRKHQYYBDG-QZTJIDSGSA-N 2 1 331.460 1.406 20 0 EDADMP CC(C)c1noc([C@H](C)n2cc(CC[NH+]3CCC([NH3+])CC3)nn2)n1 ZINC000630599602 451271460 /nfs/dbraw/zinc/27/14/60/451271460.db2.gz NNRVPJSFBCEOCU-LBPRGKRZSA-N 2 1 333.440 1.359 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000635830130 451279570 /nfs/dbraw/zinc/27/95/70/451279570.db2.gz YRGWSAULJPVPKY-ROUUACIJSA-N 2 1 330.476 1.846 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000635830130 451279571 /nfs/dbraw/zinc/27/95/71/451279571.db2.gz YRGWSAULJPVPKY-ROUUACIJSA-N 2 1 330.476 1.846 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000635830130 451279572 /nfs/dbraw/zinc/27/95/72/451279572.db2.gz YRGWSAULJPVPKY-ROUUACIJSA-N 2 1 330.476 1.846 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000638116011 451284292 /nfs/dbraw/zinc/28/42/92/451284292.db2.gz BZUIZGHBKKMVTL-JENIJYKNSA-N 2 1 331.460 1.534 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000638121549 451290231 /nfs/dbraw/zinc/29/02/31/451290231.db2.gz GAZWJXJMYAFMRO-NZSAHSFTSA-N 2 1 346.519 1.777 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000638121549 451290235 /nfs/dbraw/zinc/29/02/35/451290235.db2.gz GAZWJXJMYAFMRO-NZSAHSFTSA-N 2 1 346.519 1.777 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000638121549 451290239 /nfs/dbraw/zinc/29/02/39/451290239.db2.gz GAZWJXJMYAFMRO-NZSAHSFTSA-N 2 1 346.519 1.777 20 0 EDADMP C[C@@H]1CCN(C(=O)c2cnc(C[NH3+])nc2)CC[N@H+]1Cc1ccccc1 ZINC000638130243 451300666 /nfs/dbraw/zinc/30/06/66/451300666.db2.gz IBDSHUQUAFXOHL-OAHLLOKOSA-N 2 1 339.443 1.672 20 0 EDADMP O=C([C@H]1CCc2[nH]cnc2C1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640442681 451319397 /nfs/dbraw/zinc/31/93/97/451319397.db2.gz GEPIKBAVAATBSH-AWEZNQCLSA-N 2 1 325.416 1.649 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000638151440 451324562 /nfs/dbraw/zinc/32/45/62/451324562.db2.gz JHLCGTINPMTDDO-QGZVFWFLSA-N 2 1 339.443 1.125 20 0 EDADMP COCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638154430 451326169 /nfs/dbraw/zinc/32/61/69/451326169.db2.gz OTZCARDJUFNIPA-RBUKOAKNSA-N 2 1 345.487 1.497 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000638261859 451385538 /nfs/dbraw/zinc/38/55/38/451385538.db2.gz IDQBRHABFZXMQQ-FHWLQOOXSA-N 2 1 344.503 1.294 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000638261859 451385541 /nfs/dbraw/zinc/38/55/41/451385541.db2.gz IDQBRHABFZXMQQ-FHWLQOOXSA-N 2 1 344.503 1.294 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccn(C(F)F)c1=O ZINC000638177227 451339419 /nfs/dbraw/zinc/33/94/19/451339419.db2.gz BMSMQDYUKXEWHD-QLFBSQMISA-N 2 1 341.402 1.927 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccn(C(F)F)c1=O ZINC000638177227 451339422 /nfs/dbraw/zinc/33/94/22/451339422.db2.gz BMSMQDYUKXEWHD-QLFBSQMISA-N 2 1 341.402 1.927 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)N3CC[NH+](C)CC3)C2)cc1 ZINC000634456380 451345099 /nfs/dbraw/zinc/34/50/99/451345099.db2.gz BSYJEFJTNYAJDV-HKUYNNGSSA-N 2 1 344.503 1.321 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)N3CC[NH+](C)CC3)C2)cc1 ZINC000634456380 451345106 /nfs/dbraw/zinc/34/51/06/451345106.db2.gz BSYJEFJTNYAJDV-HKUYNNGSSA-N 2 1 344.503 1.321 20 0 EDADMP C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000628753415 451398706 /nfs/dbraw/zinc/39/87/06/451398706.db2.gz YBQUTOJXNGUHGT-WMZOPIPTSA-N 2 1 330.476 1.894 20 0 EDADMP C[N@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000628753415 451398709 /nfs/dbraw/zinc/39/87/09/451398709.db2.gz YBQUTOJXNGUHGT-WMZOPIPTSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000628753415 451398711 /nfs/dbraw/zinc/39/87/11/451398711.db2.gz YBQUTOJXNGUHGT-WMZOPIPTSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000628753415 451398713 /nfs/dbraw/zinc/39/87/13/451398713.db2.gz YBQUTOJXNGUHGT-WMZOPIPTSA-N 2 1 330.476 1.894 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000638288424 451404884 /nfs/dbraw/zinc/40/48/84/451404884.db2.gz PZQKKDQLSMKHQB-CTWPCTMYSA-N 2 1 344.503 1.579 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000638288424 451404891 /nfs/dbraw/zinc/40/48/91/451404891.db2.gz PZQKKDQLSMKHQB-CTWPCTMYSA-N 2 1 344.503 1.579 20 0 EDADMP O[C@]1(C[NH2+]CCOCC(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634640509 451432375 /nfs/dbraw/zinc/43/23/75/451432375.db2.gz AUTCVGXDHVQWGD-HNNXBMFYSA-N 2 1 332.366 1.792 20 0 EDADMP O[C@]1(C[NH2+]CCOCC(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634640509 451432378 /nfs/dbraw/zinc/43/23/78/451432378.db2.gz AUTCVGXDHVQWGD-HNNXBMFYSA-N 2 1 332.366 1.792 20 0 EDADMP [NH3+][C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000638358932 451458400 /nfs/dbraw/zinc/45/84/00/451458400.db2.gz QSGZWTKWLLNKPP-SJORKVTESA-N 2 1 332.448 1.193 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)CC1 ZINC000638375099 451471921 /nfs/dbraw/zinc/47/19/21/451471921.db2.gz DJEQLBFBUUKXQJ-FUHWJXTLSA-N 2 1 333.476 1.862 20 0 EDADMP NC(=O)C1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634702687 451477824 /nfs/dbraw/zinc/47/78/24/451477824.db2.gz KGMFNPYGYGXBQS-FAFZWHIHSA-N 2 1 331.460 1.257 20 0 EDADMP NC(=O)C1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634702687 451477830 /nfs/dbraw/zinc/47/78/30/451477830.db2.gz KGMFNPYGYGXBQS-FAFZWHIHSA-N 2 1 331.460 1.257 20 0 EDADMP CC(=O)N1CCC[C@@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634713295 451493256 /nfs/dbraw/zinc/49/32/56/451493256.db2.gz TZMZTUPGBJXUHV-VQTJNVASSA-N 2 1 345.487 1.472 20 0 EDADMP CC(=O)N1CCC[C@@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634713295 451493259 /nfs/dbraw/zinc/49/32/59/451493259.db2.gz TZMZTUPGBJXUHV-VQTJNVASSA-N 2 1 345.487 1.472 20 0 EDADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1F ZINC000638411578 451497003 /nfs/dbraw/zinc/49/70/03/451497003.db2.gz JPQWGJDZXXYAOA-KMFMINBZSA-N 2 1 349.450 1.738 20 0 EDADMP C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1(C)C ZINC000636093235 451511958 /nfs/dbraw/zinc/51/19/58/451511958.db2.gz WXDYYWTVRJQJDL-IXDOHACOSA-N 2 1 330.476 1.891 20 0 EDADMP C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1(C)C ZINC000636093235 451511965 /nfs/dbraw/zinc/51/19/65/451511965.db2.gz WXDYYWTVRJQJDL-IXDOHACOSA-N 2 1 330.476 1.891 20 0 EDADMP COc1cccc([C@@H]([NH3+])C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000638437781 451517117 /nfs/dbraw/zinc/51/71/17/451517117.db2.gz VAKKMKKTFJGPAV-CRAIPNDOSA-N 2 1 331.460 1.933 20 0 EDADMP c1ccc(C(C[NH+]2C[C@@H]3COC[C@@H]3C2)C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000634778918 451541641 /nfs/dbraw/zinc/54/16/41/451541641.db2.gz UHLZWUSNMQPFBH-FXELSEDVSA-N 2 1 342.483 1.927 20 0 EDADMP CC[C@H]1CCCCN1C(=O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640757571 451555561 /nfs/dbraw/zinc/55/55/61/451555561.db2.gz ZIMRYXMIAULOBT-KRWDZBQOSA-N 2 1 348.495 1.035 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000638572127 451583850 /nfs/dbraw/zinc/58/38/50/451583850.db2.gz USROVLRKYZCSJN-ZWKOTPCHSA-N 2 1 330.476 1.061 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638572559 451583953 /nfs/dbraw/zinc/58/39/53/451583953.db2.gz OWOYFPDYXONRKJ-OKZBNKHCSA-N 2 1 331.460 1.534 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638572559 451583959 /nfs/dbraw/zinc/58/39/59/451583959.db2.gz OWOYFPDYXONRKJ-OKZBNKHCSA-N 2 1 331.460 1.534 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000638601665 451599808 /nfs/dbraw/zinc/59/98/08/451599808.db2.gz PEROCHYXMOYHRR-MRXNPFEDSA-N 2 1 339.528 1.314 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000638601665 451599813 /nfs/dbraw/zinc/59/98/13/451599813.db2.gz PEROCHYXMOYHRR-MRXNPFEDSA-N 2 1 339.528 1.314 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638565276 451579943 /nfs/dbraw/zinc/57/99/43/451579943.db2.gz YVJLGWRWYSDDRB-NEPJUHHUSA-N 2 1 332.370 1.992 20 0 EDADMP Cn1c2cc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)ccc2oc1=O ZINC000634987263 451638060 /nfs/dbraw/zinc/63/80/60/451638060.db2.gz QDIVHKSHWCWCCD-UHFFFAOYSA-N 2 1 332.448 1.201 20 0 EDADMP CN(CCOCC[NH3+])C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000638675477 451645404 /nfs/dbraw/zinc/64/54/04/451645404.db2.gz HNMIVIZFYNYZCR-MRXNPFEDSA-N 2 1 337.489 1.210 20 0 EDADMP CN(CCOCC[NH3+])C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000638678651 451648191 /nfs/dbraw/zinc/64/81/91/451648191.db2.gz YJNMAWHFSKAPGW-KRWDZBQOSA-N 2 1 337.439 1.614 20 0 EDADMP CN(CCOCC[NH3+])C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000638678651 451648197 /nfs/dbraw/zinc/64/81/97/451648197.db2.gz YJNMAWHFSKAPGW-KRWDZBQOSA-N 2 1 337.439 1.614 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850064 451710067 /nfs/dbraw/zinc/71/00/67/451710067.db2.gz BOGGVOMMHWJBPF-QZTJIDSGSA-N 2 1 333.476 1.911 20 0 EDADMP Cn1nnnc1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638851238 451710233 /nfs/dbraw/zinc/71/02/33/451710233.db2.gz KQYABVRUIXNYJN-RDJZCZTQSA-N 2 1 326.448 1.710 20 0 EDADMP Cn1nnnc1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638851238 451710235 /nfs/dbraw/zinc/71/02/35/451710235.db2.gz KQYABVRUIXNYJN-RDJZCZTQSA-N 2 1 326.448 1.710 20 0 EDADMP O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000641092592 451747882 /nfs/dbraw/zinc/74/78/82/451747882.db2.gz YRBJVHWMYFTUKI-MJGOQNOKSA-N 2 1 346.475 1.065 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000639018801 451752855 /nfs/dbraw/zinc/75/28/55/451752855.db2.gz WHTUWYNNBGLOEA-ZWKOTPCHSA-N 2 1 332.492 1.244 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000639018801 451752857 /nfs/dbraw/zinc/75/28/57/451752857.db2.gz WHTUWYNNBGLOEA-ZWKOTPCHSA-N 2 1 332.492 1.244 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000639018801 451752858 /nfs/dbraw/zinc/75/28/58/451752858.db2.gz WHTUWYNNBGLOEA-ZWKOTPCHSA-N 2 1 332.492 1.244 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000641215184 451784388 /nfs/dbraw/zinc/78/43/88/451784388.db2.gz OSUOFQIMRZQFDW-DOTOQJQBSA-N 2 1 331.464 1.817 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[NH+]2CCCC2)nn1 ZINC000641215160 451784539 /nfs/dbraw/zinc/78/45/39/451784539.db2.gz OHFLMRKLHKJSIO-GOSISDBHSA-N 2 1 329.448 1.367 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[NH+]2CCCC2)nn1 ZINC000641215160 451784543 /nfs/dbraw/zinc/78/45/43/451784543.db2.gz OHFLMRKLHKJSIO-GOSISDBHSA-N 2 1 329.448 1.367 20 0 EDADMP Cn1nc2c(c1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1)CCCC2 ZINC000639206549 451791523 /nfs/dbraw/zinc/79/15/23/451791523.db2.gz SBFPOUULNWPIBY-UHFFFAOYSA-N 2 1 347.507 1.381 20 0 EDADMP O[C@@]1(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641230791 451791887 /nfs/dbraw/zinc/79/18/87/451791887.db2.gz UITJSOMPKWTZHB-MJGOQNOKSA-N 2 1 341.459 1.067 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000641255304 451795287 /nfs/dbraw/zinc/79/52/87/451795287.db2.gz BLVMDJLOZXKQLO-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP COCCN1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000637370508 451802573 /nfs/dbraw/zinc/80/25/73/451802573.db2.gz QJHWXIASSLZHDQ-QGZVFWFLSA-N 2 1 338.496 1.367 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000637370508 451802576 /nfs/dbraw/zinc/80/25/76/451802576.db2.gz QJHWXIASSLZHDQ-QGZVFWFLSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000644522037 451838099 /nfs/dbraw/zinc/83/80/99/451838099.db2.gz VUVMKRXMMVQESR-INDMIFKZSA-N 2 1 341.540 1.701 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000637418446 451846785 /nfs/dbraw/zinc/84/67/85/451846785.db2.gz YTWQEWQENXCGAN-QGZVFWFLSA-N 2 1 339.528 1.184 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000637418446 451846788 /nfs/dbraw/zinc/84/67/88/451846788.db2.gz YTWQEWQENXCGAN-QGZVFWFLSA-N 2 1 339.528 1.184 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2COCCN2C)CC1 ZINC000637446338 451861435 /nfs/dbraw/zinc/86/14/35/451861435.db2.gz QGDKRQPBMZEZAL-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP OCCO[C@H]1CCC[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639491196 451898560 /nfs/dbraw/zinc/89/85/60/451898560.db2.gz ZSYGOJOUQMWADZ-RBUKOAKNSA-N 2 1 334.460 1.097 20 0 EDADMP OCCO[C@H]1CCCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639491196 451898565 /nfs/dbraw/zinc/89/85/65/451898565.db2.gz ZSYGOJOUQMWADZ-RBUKOAKNSA-N 2 1 334.460 1.097 20 0 EDADMP OCCO[C@H]1CCCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639491196 451898573 /nfs/dbraw/zinc/89/85/73/451898573.db2.gz ZSYGOJOUQMWADZ-RBUKOAKNSA-N 2 1 334.460 1.097 20 0 EDADMP OCCO[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639491196 451898580 /nfs/dbraw/zinc/89/85/80/451898580.db2.gz ZSYGOJOUQMWADZ-RBUKOAKNSA-N 2 1 334.460 1.097 20 0 EDADMP OCCO[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639491196 451898594 /nfs/dbraw/zinc/89/85/94/451898594.db2.gz ZSYGOJOUQMWADZ-RBUKOAKNSA-N 2 1 334.460 1.097 20 0 EDADMP OCCO[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639491196 451898596 /nfs/dbraw/zinc/89/85/96/451898596.db2.gz ZSYGOJOUQMWADZ-RBUKOAKNSA-N 2 1 334.460 1.097 20 0 EDADMP OCCO[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639491196 451898599 /nfs/dbraw/zinc/89/85/99/451898599.db2.gz ZSYGOJOUQMWADZ-RBUKOAKNSA-N 2 1 334.460 1.097 20 0 EDADMP C[N@H+]1CC[C@](N)(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000649281579 451954248 /nfs/dbraw/zinc/95/42/48/451954248.db2.gz UKEBNSRESMOIIR-LJQANCHMSA-N 2 1 330.476 1.322 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000644734456 451960749 /nfs/dbraw/zinc/96/07/49/451960749.db2.gz PYVYYJIFONXPAH-BZSNNMDCSA-N 2 1 330.476 1.041 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1C[NH2+]CCC1(F)F ZINC000649293984 451969098 /nfs/dbraw/zinc/96/90/98/451969098.db2.gz VUQCSNDINGHPBT-MRXNPFEDSA-N 2 1 337.414 1.796 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H](C)C[NH2+]C)cc2)CC1 ZINC000649308354 451984403 /nfs/dbraw/zinc/98/44/03/451984403.db2.gz BFSWVKDZTLWQIZ-CQSZACIVSA-N 2 1 332.448 1.258 20 0 EDADMP COC[C@]1(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000649307425 451985098 /nfs/dbraw/zinc/98/50/98/451985098.db2.gz OKWWMARVAQJFRV-WDYCEAGBSA-N 2 1 331.460 1.707 20 0 EDADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@]1(N)CC[N@H+](C)C1 ZINC000649312944 451991592 /nfs/dbraw/zinc/99/15/92/451991592.db2.gz NJPYCLGQKZZISC-SFHVURJKSA-N 2 1 348.516 1.515 20 0 EDADMP CC[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000647006206 452000744 /nfs/dbraw/zinc/00/07/44/452000744.db2.gz MOHCKVXGARKDCZ-MOPGFXCFSA-N 2 1 344.503 1.390 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000647012568 452004417 /nfs/dbraw/zinc/00/44/17/452004417.db2.gz WPCZBPFATCYWKS-QYZOEREBSA-N 2 1 345.487 1.863 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000647012568 452004419 /nfs/dbraw/zinc/00/44/19/452004419.db2.gz WPCZBPFATCYWKS-QYZOEREBSA-N 2 1 345.487 1.863 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3cnn(C4CC[NH+](C)CC4)c3)C2)C1 ZINC000637662579 452004691 /nfs/dbraw/zinc/00/46/91/452004691.db2.gz HBSKLCOSNZVBOM-GOSISDBHSA-N 2 1 346.479 1.709 20 0 EDADMP C[N@H+]1CC[C@](N)(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000649341009 452020749 /nfs/dbraw/zinc/02/07/49/452020749.db2.gz HHGAMUDHJREITQ-JLJPHGGASA-N 2 1 336.505 1.280 20 0 EDADMP C[NH+]1CC[C@](N)(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000649341009 452020755 /nfs/dbraw/zinc/02/07/55/452020755.db2.gz HHGAMUDHJREITQ-JLJPHGGASA-N 2 1 336.505 1.280 20 0 EDADMP C[NH+]1CC[C@](N)(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000649341009 452020766 /nfs/dbraw/zinc/02/07/66/452020766.db2.gz HHGAMUDHJREITQ-JLJPHGGASA-N 2 1 336.505 1.280 20 0 EDADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000649351062 452035811 /nfs/dbraw/zinc/03/58/11/452035811.db2.gz HZNPGDXRDDNFAR-QUCCMNQESA-N 2 1 342.487 1.063 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@H]4C[NH2+]C[C@H]43)CC2)[nH+]c1 ZINC000649366506 452044725 /nfs/dbraw/zinc/04/47/25/452044725.db2.gz MULVADPGQVXUPP-DLBZAZTESA-N 2 1 328.460 1.817 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)[nH+]c1 ZINC000647089147 452054439 /nfs/dbraw/zinc/05/44/39/452054439.db2.gz DBAQEORZQITZQE-MRXNPFEDSA-N 2 1 332.448 1.183 20 0 EDADMP CC1(C)C[NH2+][C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000647094188 452056188 /nfs/dbraw/zinc/05/61/88/452056188.db2.gz XQMLHRSDVGEELG-KRWDZBQOSA-N 2 1 345.491 1.581 20 0 EDADMP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000649409602 452073886 /nfs/dbraw/zinc/07/38/86/452073886.db2.gz BVGYLNLGEJTGSV-OAHLLOKOSA-N 2 1 341.459 1.399 20 0 EDADMP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000649409602 452073892 /nfs/dbraw/zinc/07/38/92/452073892.db2.gz BVGYLNLGEJTGSV-OAHLLOKOSA-N 2 1 341.459 1.399 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CC[NH2+]1 ZINC000637840851 452111540 /nfs/dbraw/zinc/11/15/40/452111540.db2.gz LETKCEZXOWWBAS-POAQFYNOSA-N 2 1 343.471 1.345 20 0 EDADMP Cn1nnnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647198354 452120718 /nfs/dbraw/zinc/12/07/18/452120718.db2.gz AZMONLCDAHXRQF-MRXNPFEDSA-N 2 1 326.448 1.539 20 0 EDADMP Cn1nnnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647198354 452120722 /nfs/dbraw/zinc/12/07/22/452120722.db2.gz AZMONLCDAHXRQF-MRXNPFEDSA-N 2 1 326.448 1.539 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639775732 452121958 /nfs/dbraw/zinc/12/19/58/452121958.db2.gz NKWSYTBKOHHFET-QGZVFWFLSA-N 2 1 338.521 1.721 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639775732 452121963 /nfs/dbraw/zinc/12/19/63/452121963.db2.gz NKWSYTBKOHHFET-QGZVFWFLSA-N 2 1 338.521 1.721 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643300201 452123175 /nfs/dbraw/zinc/12/31/75/452123175.db2.gz GJZCLRQQTAICQZ-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643300201 452123178 /nfs/dbraw/zinc/12/31/78/452123178.db2.gz GJZCLRQQTAICQZ-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP Cn1ccc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000637893093 452143078 /nfs/dbraw/zinc/14/30/78/452143078.db2.gz OPHVZRKVOQJNNI-UHFFFAOYSA-N 2 1 327.432 1.742 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCN3Cc3ccccn3)C2)C1 ZINC000647252289 452144688 /nfs/dbraw/zinc/14/46/88/452144688.db2.gz BAEXWAFVJBESEO-QUCCMNQESA-N 2 1 342.487 1.990 20 0 EDADMP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3Cc3ccccn3)C2)C1 ZINC000647252289 452144693 /nfs/dbraw/zinc/14/46/93/452144693.db2.gz BAEXWAFVJBESEO-QUCCMNQESA-N 2 1 342.487 1.990 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3Cc3ccccn3)C2)C1 ZINC000647252289 452144698 /nfs/dbraw/zinc/14/46/98/452144698.db2.gz BAEXWAFVJBESEO-QUCCMNQESA-N 2 1 342.487 1.990 20 0 EDADMP C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C2)C1 ZINC000647252289 452144706 /nfs/dbraw/zinc/14/47/06/452144706.db2.gz BAEXWAFVJBESEO-QUCCMNQESA-N 2 1 342.487 1.990 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000654013270 452203236 /nfs/dbraw/zinc/20/32/36/452203236.db2.gz YRHBLBFENLCOHE-JKSUJKDBSA-N 2 1 334.468 1.583 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000645204466 452208599 /nfs/dbraw/zinc/20/85/99/452208599.db2.gz CZZVKSWEJKJXKF-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000639876337 452213887 /nfs/dbraw/zinc/21/38/87/452213887.db2.gz DIWWAXAXYDHJFQ-IRXDYDNUSA-N 2 1 325.497 1.017 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000647493014 452236403 /nfs/dbraw/zinc/23/64/03/452236403.db2.gz OVKMXLFRKRPQNG-UHFFFAOYSA-N 2 1 331.382 1.965 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647497874 452239398 /nfs/dbraw/zinc/23/93/98/452239398.db2.gz YXOLDNZEFWDLME-CVEARBPZSA-N 2 1 349.475 1.769 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647497874 452239403 /nfs/dbraw/zinc/23/94/03/452239403.db2.gz YXOLDNZEFWDLME-CVEARBPZSA-N 2 1 349.475 1.769 20 0 EDADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655450015 452246915 /nfs/dbraw/zinc/24/69/15/452246915.db2.gz ZZIIZNMPLBRKPT-AZUAARDMSA-N 2 1 342.487 1.315 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655459264 452252381 /nfs/dbraw/zinc/25/23/81/452252381.db2.gz BVAHOSQEUGNXHH-GJYPPUQNSA-N 2 1 329.444 1.558 20 0 EDADMP CCN(C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000663553834 452261739 /nfs/dbraw/zinc/26/17/39/452261739.db2.gz MJUSPLYDIOKCBF-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP CCN(C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000663553834 452261747 /nfs/dbraw/zinc/26/17/47/452261747.db2.gz MJUSPLYDIOKCBF-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP [NH3+]CC12CC(C1)CN2C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000659426533 452268850 /nfs/dbraw/zinc/26/88/50/452268850.db2.gz YAGOFMSHEKKMBO-UHFFFAOYSA-N 2 1 336.480 1.154 20 0 EDADMP CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000641790013 452269402 /nfs/dbraw/zinc/26/94/02/452269402.db2.gz GZYBQUUCFLRNFX-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000663560244 452273900 /nfs/dbraw/zinc/27/39/00/452273900.db2.gz JZRIJFAAGIXYLY-SJORKVTESA-N 2 1 339.528 1.042 20 0 EDADMP C[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000659433998 452278381 /nfs/dbraw/zinc/27/83/81/452278381.db2.gz DVOKEGVNUMXDEK-MRXNPFEDSA-N 2 1 347.507 1.576 20 0 EDADMP CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641803678 452280545 /nfs/dbraw/zinc/28/05/45/452280545.db2.gz DKNQGJNXEUBLMS-CVEARBPZSA-N 2 1 346.475 1.823 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641808938 452287811 /nfs/dbraw/zinc/28/78/11/452287811.db2.gz VCNIHXIYKGHLAD-IAGOWNOFSA-N 2 1 349.475 1.768 20 0 EDADMP CCN(C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000663579230 452302971 /nfs/dbraw/zinc/30/29/71/452302971.db2.gz BNTVEZDALDCXEB-SFHVURJKSA-N 2 1 345.491 1.782 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000663580279 452305929 /nfs/dbraw/zinc/30/59/29/452305929.db2.gz OIIAGXJUKHBKCV-UHFFFAOYSA-N 2 1 341.544 1.432 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000661505672 452307869 /nfs/dbraw/zinc/30/78/69/452307869.db2.gz CBPDOFBLGZOHFT-JKSUJKDBSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000661505672 452307878 /nfs/dbraw/zinc/30/78/78/452307878.db2.gz CBPDOFBLGZOHFT-JKSUJKDBSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000661505672 452307886 /nfs/dbraw/zinc/30/78/86/452307886.db2.gz CBPDOFBLGZOHFT-JKSUJKDBSA-N 2 1 340.512 1.515 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659457528 452310468 /nfs/dbraw/zinc/31/04/68/452310468.db2.gz GQBVJAPVOVTUHT-IRXDYDNUSA-N 2 1 338.496 1.128 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000652122793 452317940 /nfs/dbraw/zinc/31/79/40/452317940.db2.gz LBKIAUVKXKLIKC-HUUCEWRRSA-N 2 1 340.512 1.563 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652133418 452329749 /nfs/dbraw/zinc/32/97/49/452329749.db2.gz PRVOBHPRVPJAHI-BBWFWOEESA-N 2 1 349.479 1.510 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC/C=C\C[NH3+] ZINC000641865083 452331137 /nfs/dbraw/zinc/33/11/37/452331137.db2.gz OYEZRTQZKOSOAE-CWIOURORSA-N 2 1 331.464 1.592 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCOC(C)(C)[C@@H]1C ZINC000665760644 452333117 /nfs/dbraw/zinc/33/31/17/452333117.db2.gz MEUWBMQOSOYENG-GJZGRUSLSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCOC(C)(C)[C@@H]1C ZINC000665760644 452333125 /nfs/dbraw/zinc/33/31/25/452333125.db2.gz MEUWBMQOSOYENG-GJZGRUSLSA-N 2 1 328.501 1.467 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659484189 452344489 /nfs/dbraw/zinc/34/44/89/452344489.db2.gz PJJHBFXAWSNTLS-IPCDKGFNSA-N 2 1 342.487 1.948 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000665763108 452344646 /nfs/dbraw/zinc/34/46/46/452344646.db2.gz ZAHGGQFNWDBKEK-FUHWJXTLSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000665763108 452344656 /nfs/dbraw/zinc/34/46/56/452344656.db2.gz ZAHGGQFNWDBKEK-FUHWJXTLSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000665763586 452345224 /nfs/dbraw/zinc/34/52/24/452345224.db2.gz GIOLBPWLTHLUGY-MAUKXSAKSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000665763586 452345232 /nfs/dbraw/zinc/34/52/32/452345232.db2.gz GIOLBPWLTHLUGY-MAUKXSAKSA-N 2 1 340.512 1.469 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000647616985 452352336 /nfs/dbraw/zinc/35/23/36/452352336.db2.gz DSIAJHDSXQSDQX-QRVBRYPASA-N 2 1 345.487 1.783 20 0 EDADMP COC1(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CCOCC1 ZINC000657594879 452363413 /nfs/dbraw/zinc/36/34/13/452363413.db2.gz FBHHWLQGXDKTOZ-SFHVURJKSA-N 2 1 334.460 1.538 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])cc1 ZINC000638064693 452364150 /nfs/dbraw/zinc/36/41/50/452364150.db2.gz VSQXFHLXANZSOF-FHLIZLRMSA-N 2 1 331.460 1.793 20 0 EDADMP COC[C@]1(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCCC[NH2+]1 ZINC000638068139 452369669 /nfs/dbraw/zinc/36/96/69/452369669.db2.gz VKCLNEYEZLXTTH-WMZOPIPTSA-N 2 1 325.497 1.916 20 0 EDADMP CC[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000638067131 452370626 /nfs/dbraw/zinc/37/06/26/452370626.db2.gz AQBYFESFIDCCHD-HKUYNNGSSA-N 2 1 331.460 1.318 20 0 EDADMP [NH3+]CC1(CCNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000652185910 452384366 /nfs/dbraw/zinc/38/43/66/452384366.db2.gz XXGRQHCAKXDIIT-QGZVFWFLSA-N 2 1 330.476 1.937 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CS1 ZINC000665808688 452386484 /nfs/dbraw/zinc/38/64/84/452386484.db2.gz FMVSMLKQDWXXTR-YCPHGPKFSA-N 2 1 340.537 1.690 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CS1 ZINC000665808688 452386493 /nfs/dbraw/zinc/38/64/93/452386493.db2.gz FMVSMLKQDWXXTR-YCPHGPKFSA-N 2 1 340.537 1.690 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000638076250 452389985 /nfs/dbraw/zinc/38/99/85/452389985.db2.gz XGVCJMHXEWFIOL-XOYOTBSWSA-N 2 1 331.460 1.662 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000638080581 452398895 /nfs/dbraw/zinc/39/88/95/452398895.db2.gz CCEKPWCZFMRGJF-NXOAAHMSSA-N 2 1 325.497 1.850 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000659540366 452399665 /nfs/dbraw/zinc/39/96/65/452399665.db2.gz RRXIKUCGYZATIL-ZTFGCOKTSA-N 2 1 346.475 1.050 20 0 EDADMP CC[N@@H+](CCCNC(=O)N1CCCO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000652227232 452419273 /nfs/dbraw/zinc/41/92/73/452419273.db2.gz BVSRFKCUCPPUSZ-QGZVFWFLSA-N 2 1 340.512 1.790 20 0 EDADMP Cc1cn2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2n1 ZINC000657650470 452420735 /nfs/dbraw/zinc/42/07/35/452420735.db2.gz CJHBNPOHYJVUFU-ZDUSSCGKSA-N 2 1 329.404 1.039 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654374354 452425342 /nfs/dbraw/zinc/42/53/42/452425342.db2.gz HZFQUBMMVIYQNU-TWMKSMIVSA-N 2 1 340.512 1.658 20 0 EDADMP [NH3+]C1(CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000659572341 452427394 /nfs/dbraw/zinc/42/73/94/452427394.db2.gz BDKPDJJCBVNEDQ-LJQANCHMSA-N 2 1 346.475 1.194 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000654387808 452440942 /nfs/dbraw/zinc/44/09/42/452440942.db2.gz CSNPLQZDXJNBEK-VQHPVUNQSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000654387808 452440949 /nfs/dbraw/zinc/44/09/49/452440949.db2.gz CSNPLQZDXJNBEK-VQHPVUNQSA-N 2 1 340.512 1.515 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645484615 452456276 /nfs/dbraw/zinc/45/62/76/452456276.db2.gz KGDAKYVECTVQMX-GOSISDBHSA-N 2 1 344.503 1.438 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cnc(N2C[C@@H](C)[NH+](C)C[C@@H]2C)cn1 ZINC000663763028 452491587 /nfs/dbraw/zinc/49/15/87/452491587.db2.gz FUJFUWJJIISLQW-SYMSYNOKSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1c1cnc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cn1 ZINC000663763028 452491594 /nfs/dbraw/zinc/49/15/94/452491594.db2.gz FUJFUWJJIISLQW-SYMSYNOKSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1c1cnc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cn1 ZINC000663763028 452491604 /nfs/dbraw/zinc/49/16/04/452491604.db2.gz FUJFUWJJIISLQW-SYMSYNOKSA-N 2 1 332.496 1.534 20 0 EDADMP CCN(C(=O)NCC[NH+]1CCc2sccc2C1)[C@H]1CC[N@H+](C)C1 ZINC000663780648 452511728 /nfs/dbraw/zinc/51/17/28/452511728.db2.gz KHHYVXYGSNLMKX-HNNXBMFYSA-N 2 1 336.505 1.842 20 0 EDADMP CCN(C(=O)NCC[NH+]1CCc2sccc2C1)[C@H]1CC[N@@H+](C)C1 ZINC000663780648 452511732 /nfs/dbraw/zinc/51/17/32/452511732.db2.gz KHHYVXYGSNLMKX-HNNXBMFYSA-N 2 1 336.505 1.842 20 0 EDADMP CCN(C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@H]1CC[NH+](C)C1 ZINC000663780648 452511735 /nfs/dbraw/zinc/51/17/35/452511735.db2.gz KHHYVXYGSNLMKX-HNNXBMFYSA-N 2 1 336.505 1.842 20 0 EDADMP CCN(C(=O)NCC[N@H+]1CCc2sccc2C1)[C@H]1CC[NH+](C)C1 ZINC000663780648 452511739 /nfs/dbraw/zinc/51/17/39/452511739.db2.gz KHHYVXYGSNLMKX-HNNXBMFYSA-N 2 1 336.505 1.842 20 0 EDADMP O=C(NCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1F ZINC000655697777 452518896 /nfs/dbraw/zinc/51/88/96/452518896.db2.gz SUAZSCFFSFMOPD-OAHLLOKOSA-N 2 1 335.423 1.398 20 0 EDADMP Cn1c(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)nnc1C1CCC1 ZINC000652350413 452526032 /nfs/dbraw/zinc/52/60/32/452526032.db2.gz XOOWNEKNXNKYDP-ARFHVFGLSA-N 2 1 333.480 1.801 20 0 EDADMP Cn1c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)nnc1C1CCC1 ZINC000652350413 452526039 /nfs/dbraw/zinc/52/60/39/452526039.db2.gz XOOWNEKNXNKYDP-ARFHVFGLSA-N 2 1 333.480 1.801 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1OC ZINC000652353492 452527981 /nfs/dbraw/zinc/52/79/81/452527981.db2.gz LVXUJENXCKSZMY-GOEBONIOSA-N 2 1 349.475 1.769 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1OC ZINC000652353492 452527990 /nfs/dbraw/zinc/52/79/90/452527990.db2.gz LVXUJENXCKSZMY-GOEBONIOSA-N 2 1 349.475 1.769 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652351954 452528066 /nfs/dbraw/zinc/52/80/66/452528066.db2.gz NDKOJYQSTAZMGI-ICSRJNTNSA-N 2 1 345.487 1.900 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652351954 452528073 /nfs/dbraw/zinc/52/80/73/452528073.db2.gz NDKOJYQSTAZMGI-ICSRJNTNSA-N 2 1 345.487 1.900 20 0 EDADMP C[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H]1CC[NH3+] ZINC000652356061 452533728 /nfs/dbraw/zinc/53/37/28/452533728.db2.gz RDZWEKHHPUHFGL-BHIYHBOVSA-N 3 1 346.519 1.855 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H]1CC[NH3+] ZINC000652356061 452533742 /nfs/dbraw/zinc/53/37/42/452533742.db2.gz RDZWEKHHPUHFGL-BHIYHBOVSA-N 3 1 346.519 1.855 20 0 EDADMP CC(=O)Nc1cccc(OCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655724869 452536374 /nfs/dbraw/zinc/53/63/74/452536374.db2.gz IWBOVFVJVOZZRE-GOSISDBHSA-N 2 1 347.459 1.867 20 0 EDADMP COc1ccc(C[C@@H]2CCCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000652358416 452539910 /nfs/dbraw/zinc/53/99/10/452539910.db2.gz BHYPOLZDZBMAPR-SFHVURJKSA-N 2 1 345.487 1.914 20 0 EDADMP Cc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652360384 452542198 /nfs/dbraw/zinc/54/21/98/452542198.db2.gz GJKAMBVHYNZDIK-IPMKNSEASA-N 2 1 345.487 1.972 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000659683398 452557291 /nfs/dbraw/zinc/55/72/91/452557291.db2.gz XULIRRJBHGSDSF-QWHCGFSZSA-N 2 1 343.431 1.082 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834891 452569276 /nfs/dbraw/zinc/56/92/76/452569276.db2.gz DISLIUWUOLTEKJ-LBPRGKRZSA-N 2 1 326.391 1.129 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834891 452569287 /nfs/dbraw/zinc/56/92/87/452569287.db2.gz DISLIUWUOLTEKJ-LBPRGKRZSA-N 2 1 326.391 1.129 20 0 EDADMP Cn1nccc1[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000655772305 452570448 /nfs/dbraw/zinc/57/04/48/452570448.db2.gz MTHPVTOAECGTTA-AOIWGVFYSA-N 2 1 348.491 1.873 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000647836001 452573073 /nfs/dbraw/zinc/57/30/73/452573073.db2.gz YCUHBVYSTJZDSB-INIZCTEOSA-N 2 1 336.867 1.282 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000647836001 452573082 /nfs/dbraw/zinc/57/30/82/452573082.db2.gz YCUHBVYSTJZDSB-INIZCTEOSA-N 2 1 336.867 1.282 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000659699355 452584326 /nfs/dbraw/zinc/58/43/26/452584326.db2.gz RNZWUNHHBQGUSR-HZPDHXFCSA-N 2 1 340.512 1.104 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)C1=O ZINC000666123826 452621806 /nfs/dbraw/zinc/62/18/06/452621806.db2.gz OACUKYDAOLVELC-NTODXPRQSA-N 2 1 333.476 1.434 20 0 EDADMP C[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000657969233 452648377 /nfs/dbraw/zinc/64/83/77/452648377.db2.gz KPFMCOCFLHVJDN-QAPCUYQASA-N 2 1 329.448 1.413 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000666239445 452710656 /nfs/dbraw/zinc/71/06/56/452710656.db2.gz WPQDXKOCUUUMJM-ZDUSSCGKSA-N 2 1 345.896 1.807 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000666239445 452710667 /nfs/dbraw/zinc/71/06/67/452710667.db2.gz WPQDXKOCUUUMJM-ZDUSSCGKSA-N 2 1 345.896 1.807 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)CC1 ZINC000662014253 452766591 /nfs/dbraw/zinc/76/65/91/452766591.db2.gz YEVZEYQKMPCPDA-QGZVFWFLSA-N 2 1 339.528 1.090 20 0 EDADMP CC(C)c1nn(C)c(N(C)C)c1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071572 452799961 /nfs/dbraw/zinc/79/99/61/452799961.db2.gz IXQDGZIZTGNVQP-UHFFFAOYSA-N 2 1 349.523 1.906 20 0 EDADMP CC(C)c1nn(C)c(N(C)C)c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071572 452799966 /nfs/dbraw/zinc/79/99/66/452799966.db2.gz IXQDGZIZTGNVQP-UHFFFAOYSA-N 2 1 349.523 1.906 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648130071 452844545 /nfs/dbraw/zinc/84/45/45/452844545.db2.gz GPYGYHSQSRISKI-ZIAGYGMSSA-N 2 1 339.386 1.413 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000650607372 452878483 /nfs/dbraw/zinc/87/84/83/452878483.db2.gz NKXGNWZIWLNQAG-IAGOWNOFSA-N 2 1 342.528 1.763 20 0 EDADMP CN(C(=O)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000662149436 452883292 /nfs/dbraw/zinc/88/32/92/452883292.db2.gz OUYURIDUSVNACK-SFHVURJKSA-N 2 1 331.460 1.571 20 0 EDADMP CN(C(=O)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000662149436 452883297 /nfs/dbraw/zinc/88/32/97/452883297.db2.gz OUYURIDUSVNACK-SFHVURJKSA-N 2 1 331.460 1.571 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2nnn(C(C)(C)C)n2)C1 ZINC000659978959 452886548 /nfs/dbraw/zinc/88/65/48/452886548.db2.gz IOIWBRSAQMYYLT-OAHLLOKOSA-N 2 1 338.500 1.403 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000648177509 452889963 /nfs/dbraw/zinc/88/99/63/452889963.db2.gz FIPJTTALIAVEBR-DZGCQCFKSA-N 2 1 345.451 1.311 20 0 EDADMP Cc1ccccc1NC(=O)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152936 452890013 /nfs/dbraw/zinc/89/00/13/452890013.db2.gz JSYVQFROFXZELD-KRWDZBQOSA-N 2 1 331.460 1.855 20 0 EDADMP Cc1ccccc1NC(=O)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152936 452890020 /nfs/dbraw/zinc/89/00/20/452890020.db2.gz JSYVQFROFXZELD-KRWDZBQOSA-N 2 1 331.460 1.855 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000654758958 452890127 /nfs/dbraw/zinc/89/01/27/452890127.db2.gz XTTZNXXVDLYBRV-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000654758958 452890133 /nfs/dbraw/zinc/89/01/33/452890133.db2.gz XTTZNXXVDLYBRV-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000654758958 452890138 /nfs/dbraw/zinc/89/01/38/452890138.db2.gz XTTZNXXVDLYBRV-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP Cn1nnc2cc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)ccc21 ZINC000650705959 452943057 /nfs/dbraw/zinc/94/30/57/452943057.db2.gz BBWZSMYEOKURLQ-RLFYNMQTSA-N 2 1 329.448 1.687 20 0 EDADMP COc1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)sn1 ZINC000660055616 452969080 /nfs/dbraw/zinc/96/90/80/452969080.db2.gz HDDAAFOTLJRPKK-UHFFFAOYSA-N 2 1 326.466 1.042 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000652812403 452969058 /nfs/dbraw/zinc/96/90/58/452969058.db2.gz IQXBBDDWWZIMDC-GBESFXJTSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000652812403 452969060 /nfs/dbraw/zinc/96/90/60/452969060.db2.gz IQXBBDDWWZIMDC-GBESFXJTSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000652812403 452969064 /nfs/dbraw/zinc/96/90/64/452969064.db2.gz IQXBBDDWWZIMDC-GBESFXJTSA-N 2 1 343.471 1.440 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000662243070 452970664 /nfs/dbraw/zinc/97/06/64/452970664.db2.gz LEUQCIIPGXLYQQ-LLVKDONJSA-N 2 1 345.365 1.714 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000662243070 452970669 /nfs/dbraw/zinc/97/06/69/452970669.db2.gz LEUQCIIPGXLYQQ-LLVKDONJSA-N 2 1 345.365 1.714 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(S(=O)(=O)NC)cc2)[C@@H](C)C1 ZINC000660084508 453000115 /nfs/dbraw/zinc/00/01/15/453000115.db2.gz ZTYFDWDHTQKOJP-WMLDXEAASA-N 2 1 339.505 1.757 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)[C@@H](C)C1 ZINC000660084508 453000125 /nfs/dbraw/zinc/00/01/25/453000125.db2.gz ZTYFDWDHTQKOJP-WMLDXEAASA-N 2 1 339.505 1.757 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)[C@@H](C)C1 ZINC000660084508 453000134 /nfs/dbraw/zinc/00/01/34/453000134.db2.gz ZTYFDWDHTQKOJP-WMLDXEAASA-N 2 1 339.505 1.757 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662292189 453013821 /nfs/dbraw/zinc/01/38/21/453013821.db2.gz CATDCFGSTQFHNF-QGZVFWFLSA-N 3 1 336.524 1.299 20 0 EDADMP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293058 453017259 /nfs/dbraw/zinc/01/72/59/453017259.db2.gz JJQMJHBXFHDKLG-GXTWGEPZSA-N 2 1 333.484 1.292 20 0 EDADMP O=C(CN1CCC([C@H]2CCC[NH2+]C2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000662293351 453017287 /nfs/dbraw/zinc/01/72/87/453017287.db2.gz QVGVQWVAVWWZPW-KRWDZBQOSA-N 2 1 348.535 1.441 20 0 EDADMP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328093 453045253 /nfs/dbraw/zinc/04/52/53/453045253.db2.gz OHPLYJJQBQALQE-ZDUSSCGKSA-N 2 1 345.491 1.723 20 0 EDADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000662338749 453056816 /nfs/dbraw/zinc/05/68/16/453056816.db2.gz VJQBUVQYFIOYAE-KRWDZBQOSA-N 3 1 346.523 1.388 20 0 EDADMP c1c([C@@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000662338259 453057438 /nfs/dbraw/zinc/05/74/38/453057438.db2.gz PLTYTXFJSIUOKZ-HZPDHXFCSA-N 2 1 333.480 1.568 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCN2C[C@@H](C)OC[C@@H]2C)C1 ZINC000664395702 453060299 /nfs/dbraw/zinc/06/02/99/453060299.db2.gz IYNZHNSMLCQVLO-GVDBMIGSSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@@H](NC(=O)CC1([NH3+])CCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065443 453076963 /nfs/dbraw/zinc/07/69/63/453076963.db2.gz GLEVCXYYGWLMKJ-NVXWUHKLSA-N 2 1 331.460 1.664 20 0 EDADMP C[C@@H](NC(=O)CC1([NH3+])CCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065443 453076972 /nfs/dbraw/zinc/07/69/72/453076972.db2.gz GLEVCXYYGWLMKJ-NVXWUHKLSA-N 2 1 331.460 1.664 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000666754276 453117556 /nfs/dbraw/zinc/11/75/56/453117556.db2.gz JTGGILYWRKNNNC-IRXDYDNUSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@@H](C)[NH2+]1 ZINC000662415992 453125053 /nfs/dbraw/zinc/12/50/53/453125053.db2.gz PQBNMUJQVISTKS-BREBYQMCSA-N 2 1 326.238 1.658 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000662486016 453202289 /nfs/dbraw/zinc/20/22/89/453202289.db2.gz UUTZZKHCTGQYTE-DLBZAZTESA-N 2 1 325.497 1.711 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000648720648 453208898 /nfs/dbraw/zinc/20/88/98/453208898.db2.gz ZZOOOQOTTSGSNC-QGZVFWFLSA-N 2 1 347.507 1.637 20 0 EDADMP CC(C)[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000664575443 453209576 /nfs/dbraw/zinc/20/95/76/453209576.db2.gz BEXZBBZJWJBILI-BBWFWOEESA-N 2 1 342.528 1.761 20 0 EDADMP CC(C)[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000664575443 453209580 /nfs/dbraw/zinc/20/95/80/453209580.db2.gz BEXZBBZJWJBILI-BBWFWOEESA-N 2 1 342.528 1.761 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000648733396 453220814 /nfs/dbraw/zinc/22/08/14/453220814.db2.gz RILVYQRDHZUIQZ-CRAIPNDOSA-N 2 1 330.476 1.713 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000648733396 453220818 /nfs/dbraw/zinc/22/08/18/453220818.db2.gz RILVYQRDHZUIQZ-CRAIPNDOSA-N 2 1 330.476 1.713 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000648733396 453220825 /nfs/dbraw/zinc/22/08/25/453220825.db2.gz RILVYQRDHZUIQZ-CRAIPNDOSA-N 2 1 330.476 1.713 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000666925351 453251271 /nfs/dbraw/zinc/25/12/71/453251271.db2.gz WUJARBACPFNQNO-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP Nc1nc(-n2cccn2)cc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000664630607 453268449 /nfs/dbraw/zinc/26/84/49/453268449.db2.gz DRVIHBUAOAXEMG-OAHLLOKOSA-N 2 1 335.415 1.931 20 0 EDADMP Nc1nc(-n2cccn2)cc(NC[C@H]2CC[N@H+]2Cc2ccccc2)[nH+]1 ZINC000664630607 453268461 /nfs/dbraw/zinc/26/84/61/453268461.db2.gz DRVIHBUAOAXEMG-OAHLLOKOSA-N 2 1 335.415 1.931 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660395119 453269937 /nfs/dbraw/zinc/26/99/37/453269937.db2.gz AACBAZCBGYFEHV-NVXWUHKLSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662556799 453286203 /nfs/dbraw/zinc/28/62/03/453286203.db2.gz DQPSSLLXXHFGFF-OASPWFOLSA-N 2 1 326.238 1.563 20 0 EDADMP C[C@@H]1C[NH+](CCN2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@@H](C)O1 ZINC000660431463 453302957 /nfs/dbraw/zinc/30/29/57/453302957.db2.gz ZJOIIXMTYQABGU-BRWVUGGUSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@@H]1C[NH+](CCN2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@@H](C)O1 ZINC000660431463 453302965 /nfs/dbraw/zinc/30/29/65/453302965.db2.gz ZJOIIXMTYQABGU-BRWVUGGUSA-N 2 1 325.497 1.281 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646338150 453329746 /nfs/dbraw/zinc/32/97/46/453329746.db2.gz CBVDVGARPNIOPD-KZNAEPCWSA-N 2 1 328.460 1.504 20 0 EDADMP O=C(CC[N@H+]1CCC[C@H](N2CCOCC2)CC1)Nc1cccnc1 ZINC000660480222 453337134 /nfs/dbraw/zinc/33/71/34/453337134.db2.gz SVEOJDFCUDVDNV-KRWDZBQOSA-N 2 1 332.448 1.597 20 0 EDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000653156271 453347619 /nfs/dbraw/zinc/34/76/19/453347619.db2.gz WSBRCTWNWZIBNP-MOPGFXCFSA-N 2 1 345.487 1.783 20 0 EDADMP [NH3+]C[C@@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ccccc1 ZINC000662705211 453428320 /nfs/dbraw/zinc/42/83/20/453428320.db2.gz LLXXFBXJHMWJEA-KZNAEPCWSA-N 2 1 343.471 1.489 20 0 EDADMP CC[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662754665 453491972 /nfs/dbraw/zinc/49/19/72/453491972.db2.gz TUIUGMZTQWNWNJ-XLAORIBOSA-N 2 1 331.460 1.520 20 0 EDADMP CC[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662754665 453491977 /nfs/dbraw/zinc/49/19/77/453491977.db2.gz TUIUGMZTQWNWNJ-XLAORIBOSA-N 2 1 331.460 1.520 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3[NH2+]CCC3(C)C)cc2)CC1 ZINC000662758917 453496160 /nfs/dbraw/zinc/49/61/60/453496160.db2.gz VHQLXOBDJJPCSS-GOSISDBHSA-N 2 1 344.503 1.438 20 0 EDADMP CC(C)CNC(=O)CCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660696165 453521237 /nfs/dbraw/zinc/52/12/37/453521237.db2.gz ODFNGBKYJYZRDZ-UHFFFAOYSA-N 2 1 327.513 1.611 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660699353 453522118 /nfs/dbraw/zinc/52/21/18/453522118.db2.gz DODCUJXUDOXFGR-INIZCTEOSA-N 2 1 340.512 1.659 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444918 453532469 /nfs/dbraw/zinc/53/24/69/453532469.db2.gz XMMIEADSJXQPSQ-AZUAARDMSA-N 2 1 327.472 1.941 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662835841 453562677 /nfs/dbraw/zinc/56/26/77/453562677.db2.gz SCAYKHACRJWIAT-BRWVUGGUSA-N 2 1 331.464 1.554 20 0 EDADMP O=C(NCC12CC(C1)C[NH2+]2)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000658987046 453567506 /nfs/dbraw/zinc/56/75/06/453567506.db2.gz MONJFBCHUMXVFC-UHFFFAOYSA-N 2 1 344.459 1.435 20 0 EDADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC000662868396 453580106 /nfs/dbraw/zinc/58/01/06/453580106.db2.gz GOPWLTXFZUXYAX-ROUUACIJSA-N 2 1 333.476 1.987 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)C2)C1 ZINC000659041875 453595558 /nfs/dbraw/zinc/59/55/58/453595558.db2.gz JVFBCRXZMMUYPE-HKUYNNGSSA-N 2 1 344.459 1.907 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)C1 ZINC000665240904 453620885 /nfs/dbraw/zinc/62/08/85/453620885.db2.gz VSNXRZILVRCLFZ-MTQWCTHYSA-N 3 1 329.488 1.731 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000660871083 453625530 /nfs/dbraw/zinc/62/55/30/453625530.db2.gz XGQRSRTXLQISRR-UKPHBRMFSA-N 2 1 336.480 1.164 20 0 EDADMP CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H](CCC[NH3+])COC)cc1 ZINC000665255477 453627353 /nfs/dbraw/zinc/62/73/53/453627353.db2.gz UFLDZDZDVDVDGT-WDSOQIARSA-N 2 1 335.492 1.874 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CNCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259466 453628658 /nfs/dbraw/zinc/62/86/58/453628658.db2.gz GWLHQUPBSYPIJX-ZMSDIMECSA-N 2 1 339.455 1.623 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000665363959 453668318 /nfs/dbraw/zinc/66/83/18/453668318.db2.gz GNZKLTJCHOSJFO-CVEARBPZSA-N 2 1 338.496 1.223 20 0 EDADMP CC[NH+]1CCN(CCC[NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657308141 453762338 /nfs/dbraw/zinc/76/23/38/453762338.db2.gz OOSKMTBDZBRDLZ-UHFFFAOYSA-N 2 1 328.464 1.385 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000663489173 453808530 /nfs/dbraw/zinc/80/85/30/453808530.db2.gz ZVMQKMSXHMTPLT-UHFFFAOYSA-N 2 1 331.460 1.733 20 0 EDADMP Cc1nc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cs1 ZINC000663532436 453817119 /nfs/dbraw/zinc/81/71/19/453817119.db2.gz HEFRUHASGCVNEK-LBPRGKRZSA-N 2 1 327.498 1.523 20 0 EDADMP Cc1nc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cs1 ZINC000663532436 453817122 /nfs/dbraw/zinc/81/71/22/453817122.db2.gz HEFRUHASGCVNEK-LBPRGKRZSA-N 2 1 327.498 1.523 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CN1CC[NH2+]CC1 ZINC000382719654 486696487 /nfs/dbraw/zinc/69/64/87/486696487.db2.gz KNGHLVRAZUMHBP-QGZVFWFLSA-N 2 1 330.476 1.015 20 0 EDADMP C[C@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676290386 486722574 /nfs/dbraw/zinc/72/25/74/486722574.db2.gz YKCZAFZXIHEYGT-SZMVWBNQSA-N 2 1 348.491 1.178 20 0 EDADMP C[C@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676290386 486722579 /nfs/dbraw/zinc/72/25/79/486722579.db2.gz YKCZAFZXIHEYGT-SZMVWBNQSA-N 2 1 348.491 1.178 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000672757481 486791970 /nfs/dbraw/zinc/79/19/70/486791970.db2.gz BGPWAUWXHNDQEO-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672757481 486791974 /nfs/dbraw/zinc/79/19/74/486791974.db2.gz BGPWAUWXHNDQEO-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672757481 486791980 /nfs/dbraw/zinc/79/19/80/486791980.db2.gz BGPWAUWXHNDQEO-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000683849799 486839407 /nfs/dbraw/zinc/83/94/07/486839407.db2.gz BQDXVWDNEMEYHT-ZWKOTPCHSA-N 2 1 334.508 1.240 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CC3([NH3+])CCC3)cc2)CC1 ZINC000165807538 486847323 /nfs/dbraw/zinc/84/73/23/486847323.db2.gz YYUQZDOXEKCAJL-UHFFFAOYSA-N 2 1 344.459 1.213 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnn4c3CCC4)CC2)CC1 ZINC000667601424 486869162 /nfs/dbraw/zinc/86/91/62/486869162.db2.gz AEGBJYLKEOAGIN-UHFFFAOYSA-N 2 1 345.491 1.205 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000683987372 486897217 /nfs/dbraw/zinc/89/72/17/486897217.db2.gz FQWLUSPTBBWSMY-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000683987372 486897221 /nfs/dbraw/zinc/89/72/21/486897221.db2.gz FQWLUSPTBBWSMY-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CC[NH+]1CCN(c2nc(N3CC[N@H+](CC)[C@H](C)C3)ncc2C)C[C@@H]1C ZINC000677153818 486987492 /nfs/dbraw/zinc/98/74/92/486987492.db2.gz WIPKSKOGYACEAC-DLBZAZTESA-N 2 1 346.523 1.846 20 0 EDADMP CC[NH+]1CCN(c2ncc(C)c(N3CC[N@H+](CC)[C@@H](C)C3)n2)C[C@H]1C ZINC000677153818 486987496 /nfs/dbraw/zinc/98/74/96/486987496.db2.gz WIPKSKOGYACEAC-DLBZAZTESA-N 2 1 346.523 1.846 20 0 EDADMP CC[NH+]1CCN(c2ncc(C)c(N3CC[N@@H+](CC)[C@@H](C)C3)n2)C[C@H]1C ZINC000677153818 486987500 /nfs/dbraw/zinc/98/75/00/486987500.db2.gz WIPKSKOGYACEAC-DLBZAZTESA-N 2 1 346.523 1.846 20 0 EDADMP CC[NH+]1CCN(CCOCCN2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000677193129 487003477 /nfs/dbraw/zinc/00/34/77/487003477.db2.gz WFPVLDQTUUVRBC-HDICACEKSA-N 2 1 326.529 1.055 20 0 EDADMP CC[NH+]1CCN(CCOCCN2CC[N@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000677193129 487003482 /nfs/dbraw/zinc/00/34/82/487003482.db2.gz WFPVLDQTUUVRBC-HDICACEKSA-N 2 1 326.529 1.055 20 0 EDADMP CC[NH+]1CCN(CCOCCN2CC[N@@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000677193129 487003485 /nfs/dbraw/zinc/00/34/85/487003485.db2.gz WFPVLDQTUUVRBC-HDICACEKSA-N 2 1 326.529 1.055 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000077701007 487059709 /nfs/dbraw/zinc/05/97/09/487059709.db2.gz OVMJJRKWZWKHNV-QGZVFWFLSA-N 2 1 340.512 1.518 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000681788325 487167338 /nfs/dbraw/zinc/16/73/38/487167338.db2.gz DZDXZAUIRBJVJS-HHARLNAUSA-N 2 1 325.497 1.719 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(Cc2nnn(CC(F)(F)F)n2)CC1 ZINC000685035816 487218498 /nfs/dbraw/zinc/21/84/98/487218498.db2.gz JUACDEGFCKWYCV-UHFFFAOYSA-N 2 1 334.390 1.788 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000678588213 487338608 /nfs/dbraw/zinc/33/86/08/487338608.db2.gz QHRWFTPMZUUDDV-WBVHZDCISA-N 2 1 329.444 1.636 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000678588213 487338611 /nfs/dbraw/zinc/33/86/11/487338611.db2.gz QHRWFTPMZUUDDV-WBVHZDCISA-N 2 1 329.444 1.636 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CCSC1 ZINC000535266782 487354043 /nfs/dbraw/zinc/35/40/43/487354043.db2.gz YPCPDABOFPEETD-FUHWJXTLSA-N 2 1 348.516 1.910 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CCSC1 ZINC000535266782 487354046 /nfs/dbraw/zinc/35/40/46/487354046.db2.gz YPCPDABOFPEETD-FUHWJXTLSA-N 2 1 348.516 1.910 20 0 EDADMP CCN1OC[C@H]([NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000682677104 487404598 /nfs/dbraw/zinc/40/45/98/487404598.db2.gz PLGJHOCJIIMDLM-SFHVURJKSA-N 2 1 331.460 1.993 20 0 EDADMP CCN1OC[C@H]([NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000682677104 487404601 /nfs/dbraw/zinc/40/46/01/487404601.db2.gz PLGJHOCJIIMDLM-SFHVURJKSA-N 2 1 331.460 1.993 20 0 EDADMP C[C@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000682916389 487430757 /nfs/dbraw/zinc/43/07/57/487430757.db2.gz LAUBLIYXTFLYAA-AWEZNQCLSA-N 2 1 345.447 1.600 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NC[C@@H]3CCCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000669520234 485486703 /nfs/dbraw/zinc/48/67/03/485486703.db2.gz GWIQBVFJVHZAMB-INIZCTEOSA-N 2 1 346.479 1.504 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CCC[NH2+]CC3)CC2)nc(C)[nH+]1 ZINC000669520247 485486770 /nfs/dbraw/zinc/48/67/70/485486770.db2.gz KWNYWKMHDPOPPC-OAHLLOKOSA-N 2 1 346.479 1.504 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000668962982 485499183 /nfs/dbraw/zinc/49/91/83/485499183.db2.gz GQDXMROACYKBOA-JONQDZQNSA-N 2 1 340.512 1.643 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[C@H]1c1ccccc1 ZINC000669545866 485536651 /nfs/dbraw/zinc/53/66/51/485536651.db2.gz IDKHDBVDROZYDF-DZJNRPSUSA-N 2 1 328.460 1.825 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(N2CCCC2)[nH+]1 ZINC000669555647 485555982 /nfs/dbraw/zinc/55/59/82/485555982.db2.gz WXBXWWPXNFSLMN-DLBZAZTESA-N 2 1 343.475 1.884 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669312711 485959625 /nfs/dbraw/zinc/95/96/25/485959625.db2.gz CQCLEZCSLGCHSV-HKUYNNGSSA-N 2 1 342.487 1.828 20 0 EDADMP CN(c1ccccc1C[N@@H+]1CCC(=O)N(C)CC1)C1CC[NH+](C)CC1 ZINC000668620671 485961161 /nfs/dbraw/zinc/96/11/61/485961161.db2.gz NPBHBXYWOKGYID-UHFFFAOYSA-N 2 1 344.503 1.881 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173831526 528229980 /nfs/dbraw/zinc/22/99/80/528229980.db2.gz OTABYJRXIZFISV-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)[NH+]1CCOCC1 ZINC000184221858 528998169 /nfs/dbraw/zinc/99/81/69/528998169.db2.gz DDUJCWLDRISPQP-INIZCTEOSA-N 2 1 325.497 1.759 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262691712 535059982 /nfs/dbraw/zinc/05/99/82/535059982.db2.gz ARWZEFJLJBLUAD-HOCLYGCPSA-N 2 1 332.448 1.306 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000249365935 535199267 /nfs/dbraw/zinc/19/92/67/535199267.db2.gz VTHQINMWIVNCOT-QZTJIDSGSA-N 2 1 325.497 1.282 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000345632745 535208911 /nfs/dbraw/zinc/20/89/11/535208911.db2.gz FCZHGAGMDFTUGO-QZTJIDSGSA-N 2 1 331.460 1.486 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000345632745 535208918 /nfs/dbraw/zinc/20/89/18/535208918.db2.gz FCZHGAGMDFTUGO-QZTJIDSGSA-N 2 1 331.460 1.486 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000345632745 535208924 /nfs/dbraw/zinc/20/89/24/535208924.db2.gz FCZHGAGMDFTUGO-QZTJIDSGSA-N 2 1 331.460 1.486 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000345632745 535208929 /nfs/dbraw/zinc/20/89/29/535208929.db2.gz FCZHGAGMDFTUGO-QZTJIDSGSA-N 2 1 331.460 1.486 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000353105872 535332182 /nfs/dbraw/zinc/33/21/82/535332182.db2.gz AEUFRHUKCMRUSY-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000077554926 535356893 /nfs/dbraw/zinc/35/68/93/535356893.db2.gz KZSCNNDMARKXQK-UHFFFAOYSA-N 2 1 326.485 1.226 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000261551779 535439469 /nfs/dbraw/zinc/43/94/69/535439469.db2.gz XTNXDFRNEAFRTO-MBOZVWFJSA-N 2 1 345.487 1.910 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@@H](OC)C[NH+]1C ZINC000347072604 535481922 /nfs/dbraw/zinc/48/19/22/535481922.db2.gz YZZINJXCTSPPCV-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@@H](OC)C[N@@H+]1C ZINC000347072604 535481929 /nfs/dbraw/zinc/48/19/29/535481929.db2.gz YZZINJXCTSPPCV-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@@H](OC)C[N@H+]1C ZINC000347072604 535481933 /nfs/dbraw/zinc/48/19/33/535481933.db2.gz YZZINJXCTSPPCV-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000347698895 535595380 /nfs/dbraw/zinc/59/53/80/535595380.db2.gz XVZXCARWEZNNDD-UHFFFAOYSA-N 2 1 342.528 1.859 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)C[C@@H]1CC ZINC000345746697 535598127 /nfs/dbraw/zinc/59/81/27/535598127.db2.gz MAGZXMXZLPVZAR-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@@H]1CC ZINC000345746697 535598129 /nfs/dbraw/zinc/59/81/29/535598129.db2.gz MAGZXMXZLPVZAR-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)C[C@@H]1CC ZINC000345746697 535598133 /nfs/dbraw/zinc/59/81/33/535598133.db2.gz MAGZXMXZLPVZAR-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cn(C)nc3C)CC2)CC1 ZINC000093141471 535612805 /nfs/dbraw/zinc/61/28/05/535612805.db2.gz XNYKOAVFPVEQAH-UHFFFAOYSA-N 2 1 347.507 1.495 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)COCc3ccccc3)C2)CC1 ZINC000245931184 535735172 /nfs/dbraw/zinc/73/51/72/535735172.db2.gz QDGPJTAVOJPSBX-WOJBJXKFSA-N 2 1 347.503 1.276 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](C[NH3+])OC ZINC000262751225 535770557 /nfs/dbraw/zinc/77/05/57/535770557.db2.gz BWYQFBHCQDKMNX-MSOLQXFVSA-N 2 1 333.476 1.721 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000333716287 536053432 /nfs/dbraw/zinc/05/34/32/536053432.db2.gz TWOVMPBBPREXMT-QGZVFWFLSA-N 2 1 348.495 1.262 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000333716287 536053439 /nfs/dbraw/zinc/05/34/39/536053439.db2.gz TWOVMPBBPREXMT-QGZVFWFLSA-N 2 1 348.495 1.262 20 0 EDADMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000743769343 579490422 /nfs/dbraw/zinc/49/04/22/579490422.db2.gz GCBYHRNYFNAETM-LJQANCHMSA-N 2 1 347.503 1.890 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727703758 578537964 /nfs/dbraw/zinc/53/79/64/578537964.db2.gz VOOVBDZEURSLFY-CQSZACIVSA-N 2 1 330.542 1.149 20 0 EDADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000732289201 578703252 /nfs/dbraw/zinc/70/32/52/578703252.db2.gz MPTSQLLFESTLBD-DLBZAZTESA-N 2 1 325.497 1.556 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000732289201 578703254 /nfs/dbraw/zinc/70/32/54/578703254.db2.gz MPTSQLLFESTLBD-DLBZAZTESA-N 2 1 325.497 1.556 20 0 EDADMP C[NH+]1CCC(N(Cc2ccco2)C(=O)CC[NH+]2CCOCC2)CC1 ZINC000733157127 578744462 /nfs/dbraw/zinc/74/44/62/578744462.db2.gz OXHOJXZXWAQHOX-UHFFFAOYSA-N 2 1 335.448 1.425 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@@H](O)C[C@H]3C)cc2)CC1 ZINC000761113489 580048589 /nfs/dbraw/zinc/04/85/89/580048589.db2.gz PJBQIMHFPUAASX-QAPCUYQASA-N 2 1 346.475 1.222 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3C[C@@H](O)C[C@H]3C)cc2)CC1 ZINC000761113489 580048590 /nfs/dbraw/zinc/04/85/90/580048590.db2.gz PJBQIMHFPUAASX-QAPCUYQASA-N 2 1 346.475 1.222 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000744421304 579510115 /nfs/dbraw/zinc/51/01/15/579510115.db2.gz ZSZNMQDILBEXJR-INIZCTEOSA-N 2 1 339.505 1.540 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000744421304 579510117 /nfs/dbraw/zinc/51/01/17/579510117.db2.gz ZSZNMQDILBEXJR-INIZCTEOSA-N 2 1 339.505 1.540 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2C[C@H](C(C)C)CC2=O)C1 ZINC000747469632 579645218 /nfs/dbraw/zinc/64/52/18/579645218.db2.gz GMEDFDDZBBXBRL-SJORKVTESA-N 2 1 325.497 1.881 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2C[C@H](C(C)C)CC2=O)C1 ZINC000747469632 579645219 /nfs/dbraw/zinc/64/52/19/579645219.db2.gz GMEDFDDZBBXBRL-SJORKVTESA-N 2 1 325.497 1.881 20 0 EDADMP C[C@H](CNC(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000747554069 579648695 /nfs/dbraw/zinc/64/86/95/579648695.db2.gz CTFGGDWVUDRWHH-HUUCEWRRSA-N 2 1 336.484 1.687 20 0 EDADMP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000750186229 579755084 /nfs/dbraw/zinc/75/50/84/579755084.db2.gz MSPCBGWGFWBZTK-FUHWJXTLSA-N 2 1 326.481 1.493 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)CCN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000751048633 579792941 /nfs/dbraw/zinc/79/29/41/579792941.db2.gz YDZGXHDLUGTMTA-IEBWSBKVSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000751048633 579792942 /nfs/dbraw/zinc/79/29/42/579792942.db2.gz YDZGXHDLUGTMTA-IEBWSBKVSA-N 2 1 345.487 1.878 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000751384653 579804011 /nfs/dbraw/zinc/80/40/11/579804011.db2.gz DQYSXLIFKJUCOI-IBGZPJMESA-N 2 1 345.487 1.737 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000751384653 579804012 /nfs/dbraw/zinc/80/40/12/579804012.db2.gz DQYSXLIFKJUCOI-IBGZPJMESA-N 2 1 345.487 1.737 20 0 EDADMP CCCC[C@@H]1NC(=O)N(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000755782168 579934910 /nfs/dbraw/zinc/93/49/10/579934910.db2.gz YGDLIYOYAZAGMN-HOTGVXAUSA-N 2 1 336.480 1.718 20 0 EDADMP OC[C@@H]1CSCC[NH+]1CCCCCC[N@@H+]1CCSC[C@H]1CO ZINC000767120374 580182145 /nfs/dbraw/zinc/18/21/45/580182145.db2.gz SDHGFPDAJWAQPP-HZPDHXFCSA-N 2 1 348.578 1.366 20 0 EDADMP C[NH+](C)CCNC(=S)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000774271846 580358282 /nfs/dbraw/zinc/35/82/82/580358282.db2.gz MCUOJEPINLMOGD-KRWDZBQOSA-N 2 1 334.533 1.923 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCNC(=O)OC(C)(C)C)CC2)C1 ZINC000774881004 580376410 /nfs/dbraw/zinc/37/64/10/580376410.db2.gz NOYFLZNGTAWKMF-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCNC(=O)OC(C)(C)C)CC2)C1 ZINC000774881004 580376411 /nfs/dbraw/zinc/37/64/11/580376411.db2.gz NOYFLZNGTAWKMF-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ncn(-c3ccccc3)n2)C1 ZINC000779653962 580493309 /nfs/dbraw/zinc/49/33/09/580493309.db2.gz MXOGURWYZAHZCQ-HNNXBMFYSA-N 2 1 344.419 1.375 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ncn(-c3ccccc3)n2)C1 ZINC000779653962 580493310 /nfs/dbraw/zinc/49/33/10/580493310.db2.gz MXOGURWYZAHZCQ-HNNXBMFYSA-N 2 1 344.419 1.375 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NOCCSC ZINC000793426585 580843876 /nfs/dbraw/zinc/84/38/76/580843876.db2.gz TUXHJFXWVCHWHD-AWEZNQCLSA-N 2 1 332.514 1.339 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC000797530029 580977075 /nfs/dbraw/zinc/97/70/75/580977075.db2.gz NJKVANMTFFROAC-SJLPKXTDSA-N 2 1 331.460 1.428 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC000797530029 580977076 /nfs/dbraw/zinc/97/70/76/580977076.db2.gz NJKVANMTFFROAC-SJLPKXTDSA-N 2 1 331.460 1.428 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC000797530027 580977141 /nfs/dbraw/zinc/97/71/41/580977141.db2.gz NJKVANMTFFROAC-AEFFLSMTSA-N 2 1 331.460 1.428 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC000797530027 580977142 /nfs/dbraw/zinc/97/71/42/580977142.db2.gz NJKVANMTFFROAC-AEFFLSMTSA-N 2 1 331.460 1.428 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000891806113 590629386 /nfs/dbraw/zinc/62/93/86/590629386.db2.gz VTDHFQZGSOCQCX-INIZCTEOSA-N 2 1 345.491 1.687 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1(C)C ZINC000891880880 590667386 /nfs/dbraw/zinc/66/73/86/590667386.db2.gz OFQKWWVWXTZXEH-HNNXBMFYSA-N 2 1 339.528 1.090 20 0 EDADMP C[N@@H+](CCCCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1CC1 ZINC000891954756 590705629 /nfs/dbraw/zinc/70/56/29/590705629.db2.gz UURYXNWOSADYOG-KRWDZBQOSA-N 2 1 330.476 1.875 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000892004082 590738971 /nfs/dbraw/zinc/73/89/71/590738971.db2.gz BYCMVBDUDCAUQO-QZTJIDSGSA-N 2 1 346.475 1.247 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000892004082 590738974 /nfs/dbraw/zinc/73/89/74/590738974.db2.gz BYCMVBDUDCAUQO-QZTJIDSGSA-N 2 1 346.475 1.247 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000892054453 590775469 /nfs/dbraw/zinc/77/54/69/590775469.db2.gz CKZIFHWXTZUIIB-MRXNPFEDSA-N 2 1 334.464 1.311 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000892062603 590778040 /nfs/dbraw/zinc/77/80/40/590778040.db2.gz CHSUQZCYOVWTHM-TZMCWYRMSA-N 2 1 332.439 1.910 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892170619 590842096 /nfs/dbraw/zinc/84/20/96/590842096.db2.gz VCVBGOLOHBMHHF-QZTJIDSGSA-N 2 1 346.475 1.247 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000892288308 590916845 /nfs/dbraw/zinc/91/68/45/590916845.db2.gz AFLZUZHJWCXANU-DOTOQJQBSA-N 2 1 332.448 1.063 20 0 EDADMP CC1(C)CC[C@H](CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)[NH2+]C1 ZINC000892393355 591008595 /nfs/dbraw/zinc/00/85/95/591008595.db2.gz NOMCXRQCFIRIRM-CVEARBPZSA-N 2 1 338.496 1.271 20 0 EDADMP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000892481251 591042562 /nfs/dbraw/zinc/04/25/62/591042562.db2.gz OHCZGDSURTZVKG-HOTGVXAUSA-N 2 1 331.464 1.516 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892578110 591079061 /nfs/dbraw/zinc/07/90/61/591079061.db2.gz PYVBGMQANPXKNG-BZSNNMDCSA-N 2 1 345.491 1.815 20 0 EDADMP CCN(C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000891509338 591099286 /nfs/dbraw/zinc/09/92/86/591099286.db2.gz SXXSFPSTPPUOQM-RTBURBONSA-N 2 1 344.503 1.944 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891544238 591118019 /nfs/dbraw/zinc/11/80/19/591118019.db2.gz ALUXVWVVRNSCLR-MRXNPFEDSA-N 2 1 334.489 1.049 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N(CC)[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000891565594 591128295 /nfs/dbraw/zinc/12/82/95/591128295.db2.gz QENCUZCIBIWRKS-BBWFWOEESA-N 2 1 340.512 1.517 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000891576697 591132725 /nfs/dbraw/zinc/13/27/25/591132725.db2.gz NGIGUWPKCUDJCI-JHJVBQTASA-N 2 1 334.386 1.249 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)C[C@H]2C1 ZINC000891630656 591158909 /nfs/dbraw/zinc/15/89/09/591158909.db2.gz HPYJDCUDZWAHDR-KDURUIRLSA-N 2 1 342.487 1.985 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892804873 591187019 /nfs/dbraw/zinc/18/70/19/591187019.db2.gz KXGPLOVQWNPEPE-QZTJIDSGSA-N 2 1 330.476 1.683 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000894105436 591195803 /nfs/dbraw/zinc/19/58/03/591195803.db2.gz IUEOXQVLMQXTNG-LHHMISFZSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894105436 591195804 /nfs/dbraw/zinc/19/58/04/591195804.db2.gz IUEOXQVLMQXTNG-LHHMISFZSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000894105436 591195808 /nfs/dbraw/zinc/19/58/08/591195808.db2.gz IUEOXQVLMQXTNG-LHHMISFZSA-N 2 1 334.508 1.985 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@H]1c1ccc(Cl)cc1 ZINC000891731206 591201638 /nfs/dbraw/zinc/20/16/38/591201638.db2.gz VSGJSKROKVOVMF-CAOSSQGBSA-N 2 1 334.851 1.841 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@H]1c1ccc(Cl)cc1 ZINC000891731206 591201641 /nfs/dbraw/zinc/20/16/41/591201641.db2.gz VSGJSKROKVOVMF-CAOSSQGBSA-N 2 1 334.851 1.841 20 0 EDADMP CC(C)[C@H]1CN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CC[N@H+]1C ZINC000892877806 591212825 /nfs/dbraw/zinc/21/28/25/591212825.db2.gz KEZYMAIIDKWDBB-CYBMUJFWSA-N 2 1 337.493 1.352 20 0 EDADMP CN1CCN(c2ncc(C[N@H+]3CC[C@@H]([C@@H]4CCCO4)C3)cn2)CC1 ZINC000895844357 591283490 /nfs/dbraw/zinc/28/34/90/591283490.db2.gz DTPSFBXHAUFJKU-SJORKVTESA-N 2 1 331.464 1.229 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H]([C@@H]4CCCO4)C3)cn2)CC1 ZINC000895844357 591283493 /nfs/dbraw/zinc/28/34/93/591283493.db2.gz DTPSFBXHAUFJKU-SJORKVTESA-N 2 1 331.464 1.229 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)C[C@]2(C)C1 ZINC000895898841 591299120 /nfs/dbraw/zinc/29/91/20/591299120.db2.gz AFDWKRSZYRGJTF-GGPKGHCWSA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)C[C@]2(C)C1 ZINC000895898841 591299122 /nfs/dbraw/zinc/29/91/22/591299122.db2.gz AFDWKRSZYRGJTF-GGPKGHCWSA-N 2 1 342.487 1.854 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C2)cc1 ZINC000896144648 591356902 /nfs/dbraw/zinc/35/69/02/591356902.db2.gz YUWRATCGCVHGET-CEXWTWQISA-N 2 1 342.487 1.772 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N3C[C@@H]4C[NH+](C)C[C@@H]4C3)C2)cc1 ZINC000896144648 591356905 /nfs/dbraw/zinc/35/69/05/591356905.db2.gz YUWRATCGCVHGET-CEXWTWQISA-N 2 1 342.487 1.772 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N3C[C@@H]4C[NH+](C)C[C@@H]4C3)C2)cc1 ZINC000896144648 591356910 /nfs/dbraw/zinc/35/69/10/591356910.db2.gz YUWRATCGCVHGET-CEXWTWQISA-N 2 1 342.487 1.772 20 0 EDADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)n[nH]1 ZINC000896132785 591358073 /nfs/dbraw/zinc/35/80/73/591358073.db2.gz LEZCXRULHSFYJU-SWLSCSKDSA-N 2 1 328.420 1.919 20 0 EDADMP COC(=O)c1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC000894660473 591383888 /nfs/dbraw/zinc/38/38/88/591383888.db2.gz PNJJXDXUJKJPEL-UHFFFAOYSA-N 2 1 325.478 1.650 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000894815335 591427962 /nfs/dbraw/zinc/42/79/62/591427962.db2.gz KWGOPEGNEFGRMF-GVDBMIGSSA-N 2 1 338.496 1.101 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000894815335 591427965 /nfs/dbraw/zinc/42/79/65/591427965.db2.gz KWGOPEGNEFGRMF-GVDBMIGSSA-N 2 1 338.496 1.101 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000894815335 591427967 /nfs/dbraw/zinc/42/79/67/591427967.db2.gz KWGOPEGNEFGRMF-GVDBMIGSSA-N 2 1 338.496 1.101 20 0 EDADMP Cc1noc2ncc(C[NH2+]CC(=O)NCC[NH+]3CCCCCC3)cc12 ZINC000894855824 591445327 /nfs/dbraw/zinc/44/53/27/591445327.db2.gz SHZIKUGLGVMUFK-UHFFFAOYSA-N 2 1 345.447 1.613 20 0 EDADMP C[C@@H]1CN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[C@@H](C)CO1 ZINC000898668911 591466919 /nfs/dbraw/zinc/46/69/19/591466919.db2.gz MHPRSJHHSSFRIH-QFHJOOASSA-N 2 1 345.487 1.905 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[C@@H]1C[NH+](C)CCN1C ZINC000896541781 591506284 /nfs/dbraw/zinc/50/62/84/591506284.db2.gz IDDNXFOKEYGBTG-JQHSSLGASA-N 2 1 336.524 1.534 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896541781 591506287 /nfs/dbraw/zinc/50/62/87/591506287.db2.gz IDDNXFOKEYGBTG-JQHSSLGASA-N 2 1 336.524 1.534 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896541781 591506290 /nfs/dbraw/zinc/50/62/90/591506290.db2.gz IDDNXFOKEYGBTG-JQHSSLGASA-N 2 1 336.524 1.534 20 0 EDADMP CC[NH+](CC)[C@H](C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1 ZINC000896563509 591525812 /nfs/dbraw/zinc/52/58/12/591525812.db2.gz KYQPPBWCKZAMHT-NEWSRXKRSA-N 2 1 346.519 1.820 20 0 EDADMP CN(C)Cc1csc(CNC(=O)NCC[N@H+]2CCC(C)(C)C2)n1 ZINC000896595688 591546128 /nfs/dbraw/zinc/54/61/28/591546128.db2.gz XTUNDPBEAPZFQI-UHFFFAOYSA-N 2 1 339.509 1.736 20 0 EDADMP CN1CCC[C@@H]1c1cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)[nH]n1 ZINC000898990693 591627933 /nfs/dbraw/zinc/62/79/33/591627933.db2.gz LQFSZJPDMYGRRU-WMLDXEAASA-N 2 1 349.479 1.359 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CCO1 ZINC000898990693 591627936 /nfs/dbraw/zinc/62/79/36/591627936.db2.gz LQFSZJPDMYGRRU-WMLDXEAASA-N 2 1 349.479 1.359 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CCO1 ZINC000898990693 591627940 /nfs/dbraw/zinc/62/79/40/591627940.db2.gz LQFSZJPDMYGRRU-WMLDXEAASA-N 2 1 349.479 1.359 20 0 EDADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n[nH]1 ZINC000897015724 591712241 /nfs/dbraw/zinc/71/22/41/591712241.db2.gz BNGJKHDJWWMNEX-IAOVAPTHSA-N 2 1 331.464 1.733 20 0 EDADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n[nH]1 ZINC000897015724 591712242 /nfs/dbraw/zinc/71/22/42/591712242.db2.gz BNGJKHDJWWMNEX-IAOVAPTHSA-N 2 1 331.464 1.733 20 0 EDADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n[nH]1 ZINC000897015724 591712244 /nfs/dbraw/zinc/71/22/44/591712244.db2.gz BNGJKHDJWWMNEX-IAOVAPTHSA-N 2 1 331.464 1.733 20 0 EDADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n[nH]1 ZINC000897015724 591712246 /nfs/dbraw/zinc/71/22/46/591712246.db2.gz BNGJKHDJWWMNEX-IAOVAPTHSA-N 2 1 331.464 1.733 20 0 EDADMP CO[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)Cc3cccnc3N2C1 ZINC000899163797 591712419 /nfs/dbraw/zinc/71/24/19/591712419.db2.gz JQQIFLHDAJJYNF-OAGGEKHMSA-N 2 1 330.432 1.112 20 0 EDADMP CO[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C)Cc3cccnc3N2C1 ZINC000899163797 591712422 /nfs/dbraw/zinc/71/24/22/591712422.db2.gz JQQIFLHDAJJYNF-OAGGEKHMSA-N 2 1 330.432 1.112 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc(C)n1 ZINC000895412428 591748209 /nfs/dbraw/zinc/74/82/09/591748209.db2.gz VTOPFGAWUFCFAL-IRXDYDNUSA-N 2 1 332.448 1.439 20 0 EDADMP Cc1cccc2nc(CCNC(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cn21 ZINC000895533445 591791457 /nfs/dbraw/zinc/79/14/57/591791457.db2.gz IQVCYIMOTHSSAW-MRXNPFEDSA-N 2 1 329.448 1.921 20 0 EDADMP CC1(C)[C@H](NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000898207303 591818069 /nfs/dbraw/zinc/81/80/69/591818069.db2.gz IEBKPCXJVWRSJR-BBWFWOEESA-N 2 1 335.492 1.619 20 0 EDADMP CC1(C)[C@H](NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000898207303 591818070 /nfs/dbraw/zinc/81/80/70/591818070.db2.gz IEBKPCXJVWRSJR-BBWFWOEESA-N 2 1 335.492 1.619 20 0 EDADMP CN1CC[NH+](CCCNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000899991459 591860003 /nfs/dbraw/zinc/86/00/03/591860003.db2.gz NQTAZVITUSRVLW-UHFFFAOYSA-N 2 1 343.475 1.658 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)C1CCCCC1 ZINC000900198207 591938440 /nfs/dbraw/zinc/93/84/40/591938440.db2.gz ULFLXQVSMRRZRC-FUHWJXTLSA-N 2 1 325.497 1.460 20 0 EDADMP COc1c[nH]c(CO)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1=O ZINC000902195660 591942313 /nfs/dbraw/zinc/94/23/13/591942313.db2.gz MYLVLWHFBANHEB-SUMWQHHRSA-N 2 1 347.459 1.325 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000900210013 591943885 /nfs/dbraw/zinc/94/38/85/591943885.db2.gz WRUJYSBHGWIKBK-HOTGVXAUSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000900210013 591943889 /nfs/dbraw/zinc/94/38/89/591943889.db2.gz WRUJYSBHGWIKBK-HOTGVXAUSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000900210013 591943892 /nfs/dbraw/zinc/94/38/92/591943892.db2.gz WRUJYSBHGWIKBK-HOTGVXAUSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000900210013 591943896 /nfs/dbraw/zinc/94/38/96/591943896.db2.gz WRUJYSBHGWIKBK-HOTGVXAUSA-N 2 1 339.480 1.252 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000899808144 591945236 /nfs/dbraw/zinc/94/52/36/591945236.db2.gz ATPFZBVEBPKWQK-CVEARBPZSA-N 2 1 332.448 1.087 20 0 EDADMP COCC[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000902344112 591977630 /nfs/dbraw/zinc/97/76/30/591977630.db2.gz BTINRSKYZIPDDK-CALCHBBNSA-N 2 1 349.475 1.185 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000902344112 591977632 /nfs/dbraw/zinc/97/76/32/591977632.db2.gz BTINRSKYZIPDDK-CALCHBBNSA-N 2 1 349.475 1.185 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[N@H+]1CCC12CC[NH+](C)CC2 ZINC000899911377 591979793 /nfs/dbraw/zinc/97/97/93/591979793.db2.gz SXIZAPQWIQQWJI-KRWDZBQOSA-N 2 1 334.460 1.743 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900308107 591982862 /nfs/dbraw/zinc/98/28/62/591982862.db2.gz YFBQQPRGZPMEAH-KLAILNCOSA-N 2 1 335.492 1.478 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C23CC[NH+](CC2)C3)c1 ZINC000900326259 591991073 /nfs/dbraw/zinc/99/10/73/591991073.db2.gz MBRLBMSKTJGART-MRXNPFEDSA-N 2 1 342.443 1.171 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C23CC[NH+](CC2)C3)c1 ZINC000900326259 591991075 /nfs/dbraw/zinc/99/10/75/591991075.db2.gz MBRLBMSKTJGART-MRXNPFEDSA-N 2 1 342.443 1.171 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900331573 591992097 /nfs/dbraw/zinc/99/20/97/591992097.db2.gz LLEGIGYIOHPQQL-GOSISDBHSA-N 2 1 343.431 1.039 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900331573 591992100 /nfs/dbraw/zinc/99/21/00/591992100.db2.gz LLEGIGYIOHPQQL-GOSISDBHSA-N 2 1 343.431 1.039 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000900379099 592001613 /nfs/dbraw/zinc/00/16/13/592001613.db2.gz FULOQDSCQMANKE-JKSUJKDBSA-N 2 1 341.496 1.354 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000900379099 592001616 /nfs/dbraw/zinc/00/16/16/592001616.db2.gz FULOQDSCQMANKE-JKSUJKDBSA-N 2 1 341.496 1.354 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC000900597171 592063520 /nfs/dbraw/zinc/06/35/20/592063520.db2.gz OYDRYOHPJARNSY-UHFFFAOYSA-N 2 1 331.464 1.033 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC000900597171 592063523 /nfs/dbraw/zinc/06/35/23/592063523.db2.gz OYDRYOHPJARNSY-UHFFFAOYSA-N 2 1 331.464 1.033 20 0 EDADMP C[C@H]1CCC[C@H](C)N1C(=O)CONC(=[NH2+])[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902811208 592068855 /nfs/dbraw/zinc/06/88/55/592068855.db2.gz NIENMQTZBKKYNY-ZQDZILKHSA-N 2 1 338.452 1.138 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CC[C@H](Nc2ncccn2)C1 ZINC000903027611 592108225 /nfs/dbraw/zinc/10/82/25/592108225.db2.gz VBHHTSOQIMPNRM-ZWKOTPCHSA-N 2 1 341.459 1.456 20 0 EDADMP CN(Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903027611 592108227 /nfs/dbraw/zinc/10/82/27/592108227.db2.gz VBHHTSOQIMPNRM-ZWKOTPCHSA-N 2 1 341.459 1.456 20 0 EDADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903027611 592108229 /nfs/dbraw/zinc/10/82/29/592108229.db2.gz VBHHTSOQIMPNRM-ZWKOTPCHSA-N 2 1 341.459 1.456 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900733422 592111840 /nfs/dbraw/zinc/11/18/40/592111840.db2.gz DSEKLFPKSUZXNO-MOXGXCLJSA-N 2 1 345.487 1.783 20 0 EDADMP CSCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(=O)N(C)C ZINC000903172431 592129693 /nfs/dbraw/zinc/12/96/93/592129693.db2.gz QTQLLYARWDMSKD-WDVRLDOZSA-N 2 1 325.522 1.944 20 0 EDADMP CSCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(=O)N(C)C ZINC000903172431 592129695 /nfs/dbraw/zinc/12/96/95/592129695.db2.gz QTQLLYARWDMSKD-WDVRLDOZSA-N 2 1 325.522 1.944 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000900816807 592135551 /nfs/dbraw/zinc/13/55/51/592135551.db2.gz CNHSQZNDDQGGGM-QZTJIDSGSA-N 2 1 338.540 1.591 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000900816807 592135554 /nfs/dbraw/zinc/13/55/54/592135554.db2.gz CNHSQZNDDQGGGM-QZTJIDSGSA-N 2 1 338.540 1.591 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000900816807 592135556 /nfs/dbraw/zinc/13/55/56/592135556.db2.gz CNHSQZNDDQGGGM-QZTJIDSGSA-N 2 1 338.540 1.591 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@H+]1C ZINC000903189226 592136161 /nfs/dbraw/zinc/13/61/61/592136161.db2.gz SXXDQNJOGYCXKT-KGLIPLIRSA-N 2 1 331.526 1.699 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@H+]1C ZINC000903189225 592136176 /nfs/dbraw/zinc/13/61/76/592136176.db2.gz SXXDQNJOGYCXKT-KBPBESRZSA-N 2 1 331.526 1.699 20 0 EDADMP FC(F)(F)[C@H]1CC[C@H](CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)O1 ZINC000903505604 592181653 /nfs/dbraw/zinc/18/16/53/592181653.db2.gz DVECCZGGZDETSJ-QKPAOTATSA-N 2 1 347.425 1.997 20 0 EDADMP CCCCc1noc([C@@H](C)[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)n1 ZINC000903491953 592184897 /nfs/dbraw/zinc/18/48/97/592184897.db2.gz HMBIMQVDWZMQSA-ZHRONYKTSA-N 2 1 336.436 1.686 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000900958783 592185341 /nfs/dbraw/zinc/18/53/41/592185341.db2.gz RGBUWLFRJUQAFZ-PMPSAXMXSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000900958783 592185342 /nfs/dbraw/zinc/18/53/42/592185342.db2.gz RGBUWLFRJUQAFZ-PMPSAXMXSA-N 2 1 339.480 1.251 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cccc3cccnc31)C2 ZINC000903493738 592186239 /nfs/dbraw/zinc/18/62/39/592186239.db2.gz WDTKEBKADUDYPS-FCEWJHQRSA-N 2 1 325.412 1.947 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C[C@H]1CC[NH3+] ZINC000903497044 592188420 /nfs/dbraw/zinc/18/84/20/592188420.db2.gz OJYYATZIGLZBBH-HZPDHXFCSA-N 2 1 348.466 1.391 20 0 EDADMP C[C@@H]1CCCC[C@H]1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511786 592191086 /nfs/dbraw/zinc/19/10/86/592191086.db2.gz ZUIHCZHFRJVZTO-OQIJWPOYSA-N 2 1 348.535 1.582 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NC(=O)CCCN2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000901024254 592202458 /nfs/dbraw/zinc/20/24/58/592202458.db2.gz XMDQKUIQDQGUEJ-ROUUACIJSA-N 2 1 338.540 1.638 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000901024254 592202460 /nfs/dbraw/zinc/20/24/60/592202460.db2.gz XMDQKUIQDQGUEJ-ROUUACIJSA-N 2 1 338.540 1.638 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000901024254 592202462 /nfs/dbraw/zinc/20/24/62/592202462.db2.gz XMDQKUIQDQGUEJ-ROUUACIJSA-N 2 1 338.540 1.638 20 0 EDADMP CC(C)CCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562202 592210684 /nfs/dbraw/zinc/21/06/84/592210684.db2.gz HFPHOTCPXQZLAJ-IYBDPMFKSA-N 2 1 329.510 1.263 20 0 EDADMP CC(C)CCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562202 592210687 /nfs/dbraw/zinc/21/06/87/592210687.db2.gz HFPHOTCPXQZLAJ-IYBDPMFKSA-N 2 1 329.510 1.263 20 0 EDADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000903565924 592212814 /nfs/dbraw/zinc/21/28/14/592212814.db2.gz UURDDJKXPYNUQN-HNNXBMFYSA-N 2 1 347.381 1.914 20 0 EDADMP Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)c1 ZINC000904333767 592232350 /nfs/dbraw/zinc/23/23/50/592232350.db2.gz FUZOSAVOTVNSLZ-IYBDPMFKSA-N 2 1 337.489 1.347 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906649289 592233667 /nfs/dbraw/zinc/23/36/67/592233667.db2.gz BTRCXJZQNBTUJI-CYBMUJFWSA-N 2 1 334.464 1.665 20 0 EDADMP CCN1CCC[C@H](C[N@H+](C)Cc2ccc(N)nn2)[C@H]1c1cnn(C)c1 ZINC000904377817 592244826 /nfs/dbraw/zinc/24/48/26/592244826.db2.gz ZEOMHRSRRYGAOD-KDOFPFPSSA-N 2 1 343.479 1.697 20 0 EDADMP CCN1CCC[C@H](C[N@@H+](C)Cc2ccc(N)nn2)[C@H]1c1cnn(C)c1 ZINC000904377817 592244827 /nfs/dbraw/zinc/24/48/27/592244827.db2.gz ZEOMHRSRRYGAOD-KDOFPFPSSA-N 2 1 343.479 1.697 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906663042 592244990 /nfs/dbraw/zinc/24/49/90/592244990.db2.gz CCUAGWXZSVOFQA-HOCLYGCPSA-N 2 1 330.432 1.027 20 0 EDADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)n[nH]1 ZINC000901135687 592253624 /nfs/dbraw/zinc/25/36/24/592253624.db2.gz QHHOZASAKNLGGR-XKQJLSEDSA-N 2 1 331.464 1.733 20 0 EDADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)n[nH]1 ZINC000901135687 592253627 /nfs/dbraw/zinc/25/36/27/592253627.db2.gz QHHOZASAKNLGGR-XKQJLSEDSA-N 2 1 331.464 1.733 20 0 EDADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)n[nH]1 ZINC000901135687 592253633 /nfs/dbraw/zinc/25/36/33/592253633.db2.gz QHHOZASAKNLGGR-XKQJLSEDSA-N 2 1 331.464 1.733 20 0 EDADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n[nH]1 ZINC000901135687 592253634 /nfs/dbraw/zinc/25/36/34/592253634.db2.gz QHHOZASAKNLGGR-XKQJLSEDSA-N 2 1 331.464 1.733 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H](C3CCOCC3)C2)cnn1C ZINC000904433010 592256218 /nfs/dbraw/zinc/25/62/18/592256218.db2.gz JBYOMIKEBLOJLJ-SJLPKXTDSA-N 2 1 334.508 1.985 20 0 EDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)C1 ZINC000904473692 592268547 /nfs/dbraw/zinc/26/85/47/592268547.db2.gz BDDUUPBJWFJYSZ-WRWGMCAJSA-N 2 1 326.384 1.165 20 0 EDADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725503 592285334 /nfs/dbraw/zinc/28/53/34/592285334.db2.gz BTCDLQOTKJUQHQ-IRXDYDNUSA-N 2 1 337.508 1.773 20 0 EDADMP Cc1nc(C[C@@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903730299 592286911 /nfs/dbraw/zinc/28/69/11/592286911.db2.gz VGSPHHKHJABEPK-HOTGVXAUSA-N 2 1 334.464 1.791 20 0 EDADMP C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C[C@H]1Cc1ccccc1 ZINC000908086657 592295130 /nfs/dbraw/zinc/29/51/30/592295130.db2.gz YOSRRFGEAXSMJF-QUCCMNQESA-N 2 1 345.487 1.219 20 0 EDADMP C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C[C@H]1Cc1ccccc1 ZINC000908086657 592295134 /nfs/dbraw/zinc/29/51/34/592295134.db2.gz YOSRRFGEAXSMJF-QUCCMNQESA-N 2 1 345.487 1.219 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000908086657 592295138 /nfs/dbraw/zinc/29/51/38/592295138.db2.gz YOSRRFGEAXSMJF-QUCCMNQESA-N 2 1 345.487 1.219 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000908086657 592295143 /nfs/dbraw/zinc/29/51/43/592295143.db2.gz YOSRRFGEAXSMJF-QUCCMNQESA-N 2 1 345.487 1.219 20 0 EDADMP Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903740619 592303188 /nfs/dbraw/zinc/30/31/88/592303188.db2.gz XZETVCKOCUUUQC-QZTJIDSGSA-N 2 1 347.507 1.766 20 0 EDADMP O=C1NCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1CC1CCCCC1 ZINC000903759618 592306735 /nfs/dbraw/zinc/30/67/35/592306735.db2.gz BMJOISRSAKXFTO-QZTJIDSGSA-N 2 1 349.519 1.916 20 0 EDADMP O=C1NCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1CC1CCCCC1 ZINC000903759618 592306739 /nfs/dbraw/zinc/30/67/39/592306739.db2.gz BMJOISRSAKXFTO-QZTJIDSGSA-N 2 1 349.519 1.916 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000903757150 592314532 /nfs/dbraw/zinc/31/45/32/592314532.db2.gz YPZMXZDRQFJFAY-CABCVRRESA-N 2 1 329.452 1.025 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000903757150 592314537 /nfs/dbraw/zinc/31/45/37/592314537.db2.gz YPZMXZDRQFJFAY-CABCVRRESA-N 2 1 329.452 1.025 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCOC1CCSCC1)C2 ZINC000903784418 592322215 /nfs/dbraw/zinc/32/22/15/592322215.db2.gz OGCWFSKLLTYVFH-ZENOOKHLSA-N 2 1 328.478 1.111 20 0 EDADMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)C2(C[NH3+])CCOCC2)c1C ZINC000903810160 592331648 /nfs/dbraw/zinc/33/16/48/592331648.db2.gz ZSWVSJCJDQQGAZ-KRWDZBQOSA-N 2 1 336.476 1.791 20 0 EDADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)C2(C[NH3+])CCOCC2)c1C ZINC000903810160 592331650 /nfs/dbraw/zinc/33/16/50/592331650.db2.gz ZSWVSJCJDQQGAZ-KRWDZBQOSA-N 2 1 336.476 1.791 20 0 EDADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CC[NH2+]CCC23CCOCC3)c(C)c1 ZINC000903820161 592333610 /nfs/dbraw/zinc/33/36/10/592333610.db2.gz VJXFBRXXVBBTFJ-GOSISDBHSA-N 2 1 348.487 1.888 20 0 EDADMP Cc1ccc(OC[C@H](O)C[N@H+]2CC[NH2+]CCC23CCOCC3)c(C)c1 ZINC000903820161 592333615 /nfs/dbraw/zinc/33/36/15/592333615.db2.gz VJXFBRXXVBBTFJ-GOSISDBHSA-N 2 1 348.487 1.888 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000903898098 592368660 /nfs/dbraw/zinc/36/86/60/592368660.db2.gz IWXKYZQRUBZNLX-KVSKMBFKSA-N 2 1 344.507 1.651 20 0 EDADMP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)C12CCC2 ZINC000903898929 592370257 /nfs/dbraw/zinc/37/02/57/592370257.db2.gz PNYRALAKIOWJOW-USXIJHARSA-N 2 1 333.480 1.982 20 0 EDADMP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)C12CCC2 ZINC000903898929 592370265 /nfs/dbraw/zinc/37/02/65/592370265.db2.gz PNYRALAKIOWJOW-USXIJHARSA-N 2 1 333.480 1.982 20 0 EDADMP CC1([C@@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)OCCO1 ZINC000903902958 592371311 /nfs/dbraw/zinc/37/13/11/592371311.db2.gz QACIRLIYODWEKM-CABCVRRESA-N 2 1 335.452 1.178 20 0 EDADMP CC(C)([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)C(=O)NCC1CCCC1 ZINC000903902892 592371540 /nfs/dbraw/zinc/37/15/40/592371540.db2.gz PDDBICLOEADLHG-HNNXBMFYSA-N 2 1 348.495 1.377 20 0 EDADMP CCOc1ccc(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1OC ZINC000903922659 592377898 /nfs/dbraw/zinc/37/78/98/592377898.db2.gz BMTGAORQDAESJT-OAHLLOKOSA-N 2 1 345.447 1.900 20 0 EDADMP Cc1c(C[C@H](C[NH3+])CN2CC[N@@H+](C)Cc3ccccc32)cnn1C ZINC000903925467 592380119 /nfs/dbraw/zinc/38/01/19/592380119.db2.gz FQSWZONHZSRVCX-MRXNPFEDSA-N 2 1 327.476 1.798 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)c1coc(CN2CC[C@H](OC)C2)n1 ZINC000906881446 592381868 /nfs/dbraw/zinc/38/18/68/592381868.db2.gz VSTWKGGPISYEKC-AWEZNQCLSA-N 2 1 338.452 1.357 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000903932171 592383209 /nfs/dbraw/zinc/38/32/09/592383209.db2.gz NLRBROXQLUXBHA-IRXDYDNUSA-N 2 1 332.496 1.414 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)C[C@H]2CCc3nccn3C2)cnn1C ZINC000903917527 592390027 /nfs/dbraw/zinc/39/00/27/592390027.db2.gz ZGNVXEULVIEXOB-CVEARBPZSA-N 2 1 330.480 1.237 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cnn1C ZINC000903917527 592390032 /nfs/dbraw/zinc/39/00/32/592390032.db2.gz ZGNVXEULVIEXOB-CVEARBPZSA-N 3 1 330.480 1.237 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cnn1C ZINC000903917527 592390035 /nfs/dbraw/zinc/39/00/35/592390035.db2.gz ZGNVXEULVIEXOB-CVEARBPZSA-N 3 1 330.480 1.237 20 0 EDADMP COC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903939909 592391780 /nfs/dbraw/zinc/39/17/80/592391780.db2.gz QHUOTHVKCMPRTL-ZVZYQTTQSA-N 2 1 334.464 1.121 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)cnn1C ZINC000903988412 592406947 /nfs/dbraw/zinc/40/69/47/592406947.db2.gz QPVHSBRUQIAOJQ-HZPDHXFCSA-N 2 1 330.480 1.459 20 0 EDADMP [NH3+][C@H](Cc1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1)Cc1ccccc1 ZINC000904100006 592425050 /nfs/dbraw/zinc/42/50/50/592425050.db2.gz VDXSVEPNOQTMRO-HRCADAONSA-N 2 1 328.416 1.718 20 0 EDADMP [NH3+][C@H](Cc1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1)Cc1ccccc1 ZINC000904100006 592425051 /nfs/dbraw/zinc/42/50/51/592425051.db2.gz VDXSVEPNOQTMRO-HRCADAONSA-N 2 1 328.416 1.718 20 0 EDADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000908317355 592430686 /nfs/dbraw/zinc/43/06/86/592430686.db2.gz XZUGZDGYWVUZOI-RYRKJORJSA-N 2 1 335.492 1.715 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000908317355 592430687 /nfs/dbraw/zinc/43/06/87/592430687.db2.gz XZUGZDGYWVUZOI-RYRKJORJSA-N 2 1 335.492 1.715 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000908317355 592430689 /nfs/dbraw/zinc/43/06/89/592430689.db2.gz XZUGZDGYWVUZOI-RYRKJORJSA-N 2 1 335.492 1.715 20 0 EDADMP CO[C@H]1CCN(Cc2nc(C(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)co2)C1 ZINC000908362004 592465693 /nfs/dbraw/zinc/46/56/93/592465693.db2.gz GGKUGWIAXUZUFY-KBXCAEBGSA-N 2 1 348.447 1.063 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905307913 592500253 /nfs/dbraw/zinc/50/02/53/592500253.db2.gz AQSDLRYBYQJHHT-INIZCTEOSA-N 2 1 329.448 1.744 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905341406 592512047 /nfs/dbraw/zinc/51/20/47/592512047.db2.gz ZVCHRVPNKJBCSQ-MRXNPFEDSA-N 2 1 331.526 1.560 20 0 EDADMP FC1(F)CC[NH2+]C[C@H]1CNc1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000905679620 592610125 /nfs/dbraw/zinc/61/01/25/592610125.db2.gz YPTLISKTCMLBEZ-NWDGAFQWSA-N 2 1 327.379 1.724 20 0 EDADMP COCCc1nsc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000905700488 592614801 /nfs/dbraw/zinc/61/48/01/592614801.db2.gz MOWFHHLLGAMZCM-OKILXGFUSA-N 2 1 337.493 1.132 20 0 EDADMP COCCc1nsc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000905700488 592614802 /nfs/dbraw/zinc/61/48/02/592614802.db2.gz MOWFHHLLGAMZCM-OKILXGFUSA-N 2 1 337.493 1.132 20 0 EDADMP C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000907449752 592661556 /nfs/dbraw/zinc/66/15/56/592661556.db2.gz YNEDMWRBEJUHBH-CRAIPNDOSA-N 2 1 332.492 1.287 20 0 EDADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)c2)CC1 ZINC000907453612 592664059 /nfs/dbraw/zinc/66/40/59/592664059.db2.gz ZIOJHZHMBFDKLK-IEBWSBKVSA-N 2 1 346.475 1.222 20 0 EDADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)c2)CC1 ZINC000907453612 592664060 /nfs/dbraw/zinc/66/40/60/592664060.db2.gz ZIOJHZHMBFDKLK-IEBWSBKVSA-N 2 1 346.475 1.222 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[C@H](C)[N@H+]1CCO ZINC000909031309 592708014 /nfs/dbraw/zinc/70/80/14/592708014.db2.gz BDZOJODEDAMSJP-GASCZTMLSA-N 2 1 344.459 1.818 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[C@H](C)[N@@H+]1CCO ZINC000909031309 592708017 /nfs/dbraw/zinc/70/80/17/592708017.db2.gz BDZOJODEDAMSJP-GASCZTMLSA-N 2 1 344.459 1.818 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1CN(C)CC[NH+](C)C1 ZINC000906226338 592766361 /nfs/dbraw/zinc/76/63/61/592766361.db2.gz DHQNTVHYLHQCMY-UHFFFAOYSA-N 2 1 346.519 1.636 20 0 EDADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906226338 592766365 /nfs/dbraw/zinc/76/63/65/592766365.db2.gz DHQNTVHYLHQCMY-UHFFFAOYSA-N 2 1 346.519 1.636 20 0 EDADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906226338 592766368 /nfs/dbraw/zinc/76/63/68/592766368.db2.gz DHQNTVHYLHQCMY-UHFFFAOYSA-N 2 1 346.519 1.636 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000907838895 592809577 /nfs/dbraw/zinc/80/95/77/592809577.db2.gz JDHIPTHYYDRSIB-IXDOHACOSA-N 2 1 325.497 1.676 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000907838895 592809580 /nfs/dbraw/zinc/80/95/80/592809580.db2.gz JDHIPTHYYDRSIB-IXDOHACOSA-N 2 1 325.497 1.676 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000907838895 592809582 /nfs/dbraw/zinc/80/95/82/592809582.db2.gz JDHIPTHYYDRSIB-IXDOHACOSA-N 2 1 325.497 1.676 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000907838895 592809585 /nfs/dbraw/zinc/80/95/85/592809585.db2.gz JDHIPTHYYDRSIB-IXDOHACOSA-N 2 1 325.497 1.676 20 0 EDADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C[C@]3(O)CCC[N@@H+](C)C3)cccc21 ZINC000907844967 592824772 /nfs/dbraw/zinc/82/47/72/592824772.db2.gz VEYHUQAGKYCVRK-VQIMIIECSA-N 2 1 347.459 1.857 20 0 EDADMP CC(C)(C(=O)N1CCC([N@H+]2CCCOCC2)CC1)[NH+]1CCCCC1 ZINC000910366994 592846049 /nfs/dbraw/zinc/84/60/49/592846049.db2.gz XISGGBMNDWIAPI-UHFFFAOYSA-N 2 1 337.508 1.964 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906645752 592865761 /nfs/dbraw/zinc/86/57/61/592865761.db2.gz KUBNQUYPKZCERH-HNNXBMFYSA-N 2 1 332.448 1.419 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911673011 592975772 /nfs/dbraw/zinc/97/57/72/592975772.db2.gz IVJJABMZWYZEKC-GXFFZTMASA-N 2 1 342.237 1.326 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911738900 592993947 /nfs/dbraw/zinc/99/39/47/592993947.db2.gz NVJJBENMIBADRU-NOZJJQNGSA-N 2 1 342.237 1.265 20 0 EDADMP CC(C)C[NH2+]C1(CO)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000912588059 593106559 /nfs/dbraw/zinc/10/65/59/593106559.db2.gz IGSXZGJTNFJJEL-IYBDPMFKSA-N 2 1 325.497 1.458 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COCc1ccccn1 ZINC000806728549 593112277 /nfs/dbraw/zinc/11/22/77/593112277.db2.gz CYHDCEFLKGLNAP-SFHVURJKSA-N 2 1 348.491 1.473 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)CC1 ZINC000839996850 593316298 /nfs/dbraw/zinc/31/62/98/593316298.db2.gz ACXSAQITGMFKHT-OLMMMNRUSA-N 2 1 333.476 1.639 20 0 EDADMP Cc1ccc(N2C(=O)C[C@@H]([N@@H+](C)CC3CC[NH+](C)CC3)C2=O)cc1 ZINC000103500556 593343718 /nfs/dbraw/zinc/34/37/18/593343718.db2.gz LADCBKYFDPMJHL-QGZVFWFLSA-N 2 1 329.444 1.901 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839727496 593374740 /nfs/dbraw/zinc/37/47/40/593374740.db2.gz FNMBNSZECXDCGW-HOCLYGCPSA-N 2 1 325.522 1.804 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=S)NCC(C)(C)C[NH+](C)C)CCCO1 ZINC000761548920 593417669 /nfs/dbraw/zinc/41/76/69/593417669.db2.gz KTQNPKVLPFLYRT-OAHLLOKOSA-N 2 1 344.569 1.539 20 0 EDADMP C[C@@H](CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C)[NH+]1CCCCC1 ZINC000812011350 593488325 /nfs/dbraw/zinc/48/83/25/593488325.db2.gz ZNAXIOPLLSZJFR-KRWDZBQOSA-N 2 1 341.544 1.386 20 0 EDADMP C[C@@H](CNC(=O)N(C)CCCN(C)CC[NH+](C)C)[NH+]1CCCCC1 ZINC000812011350 593488326 /nfs/dbraw/zinc/48/83/26/593488326.db2.gz ZNAXIOPLLSZJFR-KRWDZBQOSA-N 2 1 341.544 1.386 20 0 EDADMP COc1cc2[nH+]ccc(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)c2cc1OC ZINC000840252478 593500289 /nfs/dbraw/zinc/50/02/89/593500289.db2.gz WCLJHHCRWCZCSC-UONOGXRCSA-N 2 1 343.427 1.949 20 0 EDADMP Cc1cc(N2CCC([NH2+][C@H](C)C[C@H]3CCC(=O)N3)CC2)nc(C)[nH+]1 ZINC000813328352 593526932 /nfs/dbraw/zinc/52/69/32/593526932.db2.gz IQGTVXIGEOUXCM-MLGOLLRUSA-N 2 1 331.464 1.709 20 0 EDADMP CS(=O)(=O)CC1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000815576370 593642981 /nfs/dbraw/zinc/64/29/81/593642981.db2.gz PCHNCTZNCJUGAA-QDIHITRGSA-N 2 1 330.494 1.043 20 0 EDADMP CS(=O)(=O)CC1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000815576370 593642982 /nfs/dbraw/zinc/64/29/82/593642982.db2.gz PCHNCTZNCJUGAA-QDIHITRGSA-N 2 1 330.494 1.043 20 0 EDADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000817936333 593650213 /nfs/dbraw/zinc/65/02/13/593650213.db2.gz JHUSDDQEOCWRGG-GJZGRUSLSA-N 2 1 332.510 1.481 20 0 EDADMP C[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C(C)(C)C[NH+](C)C ZINC000819102187 593738884 /nfs/dbraw/zinc/73/88/84/593738884.db2.gz GYFOUHXPAJMYHG-CZUORRHYSA-N 2 1 342.505 1.689 20 0 EDADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820127039 593792943 /nfs/dbraw/zinc/79/29/43/593792943.db2.gz HQQRYCPGXAJDED-KRWDZBQOSA-N 2 1 344.463 1.705 20 0 EDADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820127039 593792944 /nfs/dbraw/zinc/79/29/44/593792944.db2.gz HQQRYCPGXAJDED-KRWDZBQOSA-N 2 1 344.463 1.705 20 0 EDADMP C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C[NH+](C)C ZINC000821541978 593859845 /nfs/dbraw/zinc/85/98/45/593859845.db2.gz NUSQLFSAUWQJFM-MRXNPFEDSA-N 2 1 348.491 1.881 20 0 EDADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824594282 594044530 /nfs/dbraw/zinc/04/45/30/594044530.db2.gz ZPRQBRHWAYDPTP-OAHLLOKOSA-N 2 1 343.479 1.545 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[C@H]([NH3+])C2CC2)c1 ZINC000827533738 594226452 /nfs/dbraw/zinc/22/64/52/594226452.db2.gz JPWGRYOCTQWHPX-HOTGVXAUSA-N 2 1 330.432 1.202 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[C@H]([NH3+])C2CC2)c1 ZINC000827533738 594226454 /nfs/dbraw/zinc/22/64/54/594226454.db2.gz JPWGRYOCTQWHPX-HOTGVXAUSA-N 2 1 330.432 1.202 20 0 EDADMP CC(C)(C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]([NH3+])c1ccccc1 ZINC000827936848 594306819 /nfs/dbraw/zinc/30/68/19/594306819.db2.gz WVBQVAHRDOWAPU-BRWVUGGUSA-N 2 1 331.460 1.692 20 0 EDADMP COC(=O)c1occc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000826943650 594607233 /nfs/dbraw/zinc/60/72/33/594607233.db2.gz XDMWRGIBUAMAMJ-QGZVFWFLSA-N 2 1 344.411 1.923 20 0 EDADMP COC(=O)c1occc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000826943650 594607235 /nfs/dbraw/zinc/60/72/35/594607235.db2.gz XDMWRGIBUAMAMJ-QGZVFWFLSA-N 2 1 344.411 1.923 20 0 EDADMP C[C@@H](CNC(=O)C[C@H]([NH3+])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000827050341 594630714 /nfs/dbraw/zinc/63/07/14/594630714.db2.gz WYTRNXJBWNDJER-YJBOKZPZSA-N 2 1 330.476 1.441 20 0 EDADMP C[NH+](C)C1CC[NH+](CCCON2C(=O)c3ccccc3C2=O)CC1 ZINC000827406591 594668940 /nfs/dbraw/zinc/66/89/40/594668940.db2.gz MKKZVKZXUGPZPX-UHFFFAOYSA-N 2 1 331.416 1.630 20 0 EDADMP CCc1nn(C)c(Cl)c1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841087361 594849245 /nfs/dbraw/zinc/84/92/45/594849245.db2.gz LKTJOCRQZXHWAC-UHFFFAOYSA-N 2 1 339.915 1.942 20 0 EDADMP CC[NH2+]CCCNC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000841918122 594981394 /nfs/dbraw/zinc/98/13/94/594981394.db2.gz SFKGMDXRQXZRMI-IBGZPJMESA-N 2 1 348.491 1.264 20 0 EDADMP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843364881 595088597 /nfs/dbraw/zinc/08/85/97/595088597.db2.gz UDDJJRAWXYCRQL-XHSDSOJGSA-N 2 1 346.475 1.519 20 0 EDADMP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843364881 595088598 /nfs/dbraw/zinc/08/85/98/595088598.db2.gz UDDJJRAWXYCRQL-XHSDSOJGSA-N 2 1 346.475 1.519 20 0 EDADMP CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843363113 595088751 /nfs/dbraw/zinc/08/87/51/595088751.db2.gz ZTGGICSXKVRTQP-ARFHVFGLSA-N 2 1 339.480 1.298 20 0 EDADMP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843363113 595088753 /nfs/dbraw/zinc/08/87/53/595088753.db2.gz ZTGGICSXKVRTQP-ARFHVFGLSA-N 2 1 339.480 1.298 20 0 EDADMP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843368469 595089698 /nfs/dbraw/zinc/08/96/98/595089698.db2.gz UAXUJJPJWYDEFJ-UVLXDEKHSA-N 2 1 343.431 1.655 20 0 EDADMP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843368469 595089699 /nfs/dbraw/zinc/08/96/99/595089699.db2.gz UAXUJJPJWYDEFJ-UVLXDEKHSA-N 2 1 343.431 1.655 20 0 EDADMP Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)C2=O)cc1 ZINC000842474973 595114440 /nfs/dbraw/zinc/11/44/40/595114440.db2.gz HBPWNGAGHGWTQR-MSOLQXFVSA-N 2 1 328.460 1.080 20 0 EDADMP C[C@H]1CC2(C[N@H+]1CN1C[C@@]3(C[NH+]4CCC3CC4)OC1=O)CCOCC2 ZINC000842639238 595152837 /nfs/dbraw/zinc/15/28/37/595152837.db2.gz QCBKENYKWBDXBH-HNAYVOBHSA-N 2 1 349.475 1.752 20 0 EDADMP COc1ccc(OC)c([C@@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000843062937 595278063 /nfs/dbraw/zinc/27/80/63/595278063.db2.gz USWYAJJZWCYXMZ-KRWDZBQOSA-N 2 1 338.448 1.174 20 0 EDADMP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000844178202 595293539 /nfs/dbraw/zinc/29/35/39/595293539.db2.gz WJJLBYPRVBLAAT-MOPGFXCFSA-N 2 1 345.487 1.926 20 0 EDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844218577 595305020 /nfs/dbraw/zinc/30/50/20/595305020.db2.gz WHBADSQDJVJSAJ-INIZCTEOSA-N 2 1 346.475 1.523 20 0 EDADMP Brc1cnn(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000848550232 595404726 /nfs/dbraw/zinc/40/47/26/595404726.db2.gz GVJXJKBLEKEGCE-CQSZACIVSA-N 2 1 343.269 1.489 20 0 EDADMP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000849055283 595476047 /nfs/dbraw/zinc/47/60/47/595476047.db2.gz YRCZGPCTENLFTI-KBPBESRZSA-N 2 1 339.509 1.185 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=[NH2+])N3CCCCC3)cc2)CC1 ZINC000849060353 595476553 /nfs/dbraw/zinc/47/65/53/595476553.db2.gz VHSPBCGKJVKCEN-UHFFFAOYSA-N 2 1 343.475 1.584 20 0 EDADMP [NH2+]=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc2c(c1)OCCCO2 ZINC000849073766 595478385 /nfs/dbraw/zinc/47/83/85/595478385.db2.gz BQVUUAOJHKFGCX-HUUCEWRRSA-N 2 1 346.431 1.647 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])N3CCO[C@@H](C)C3)c2)CCO1 ZINC000849093627 595480158 /nfs/dbraw/zinc/48/01/58/595480158.db2.gz CITKSNLRCOLCQJ-CVEARBPZSA-N 2 1 346.475 1.652 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])N3CCO[C@@H](C)C3)c2)CCO1 ZINC000849093627 595480160 /nfs/dbraw/zinc/48/01/60/595480160.db2.gz CITKSNLRCOLCQJ-CVEARBPZSA-N 2 1 346.475 1.652 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)CNC(=O)OC(C)(C)C ZINC000849098151 595481454 /nfs/dbraw/zinc/48/14/54/595481454.db2.gz PGHNYYLFWZBCRV-STQMWFEESA-N 2 1 327.473 1.498 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncn(-c2ccccc2)n1 ZINC000849112693 595483985 /nfs/dbraw/zinc/48/39/85/595483985.db2.gz BZBAQDICPACDDT-HNNXBMFYSA-N 2 1 327.436 1.366 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503989 595553142 /nfs/dbraw/zinc/55/31/42/595553142.db2.gz AQIIJQCIQUEMDT-BPQIPLTHSA-N 2 1 347.507 1.302 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503989 595553144 /nfs/dbraw/zinc/55/31/44/595553144.db2.gz AQIIJQCIQUEMDT-BPQIPLTHSA-N 2 1 347.507 1.302 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503989 595553147 /nfs/dbraw/zinc/55/31/47/595553147.db2.gz AQIIJQCIQUEMDT-BPQIPLTHSA-N 2 1 347.507 1.302 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC2([NH+](C)C)CCCC2)cn1 ZINC000849502417 595553186 /nfs/dbraw/zinc/55/31/86/595553186.db2.gz QJKYFDYQEAGHIM-DLBZAZTESA-N 2 1 347.507 1.446 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2C)[C@@H](c2cnn(C)c2)C1 ZINC000849540943 595559815 /nfs/dbraw/zinc/55/98/15/595559815.db2.gz JWECRIAHAARKOT-OKZBNKHCSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)[C@@H](c2cnn(C)c2)C1 ZINC000849540943 595559816 /nfs/dbraw/zinc/55/98/16/595559816.db2.gz JWECRIAHAARKOT-OKZBNKHCSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2C)[C@@H](c2cnn(C)c2)C1 ZINC000849540943 595559817 /nfs/dbraw/zinc/55/98/17/595559817.db2.gz JWECRIAHAARKOT-OKZBNKHCSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NC(C)(C)C[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849599590 595588304 /nfs/dbraw/zinc/58/83/04/595588304.db2.gz CRRQXARQGCKZBY-IAGOWNOFSA-N 2 1 349.523 1.690 20 0 EDADMP O=C(C=C1CC[NH2+]CC1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000852873391 595592444 /nfs/dbraw/zinc/59/24/44/595592444.db2.gz USDMKGHLJRXDQZ-UHFFFAOYSA-N 2 1 328.460 1.235 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849607031 595593038 /nfs/dbraw/zinc/59/30/38/595593038.db2.gz SRBWCPYPZMFMRY-YESZJQIVSA-N 2 1 333.480 1.008 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849607031 595593041 /nfs/dbraw/zinc/59/30/41/595593041.db2.gz SRBWCPYPZMFMRY-YESZJQIVSA-N 2 1 333.480 1.008 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849607031 595593043 /nfs/dbraw/zinc/59/30/43/595593043.db2.gz SRBWCPYPZMFMRY-YESZJQIVSA-N 2 1 333.480 1.008 20 0 EDADMP [NH3+][C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000852877329 595593847 /nfs/dbraw/zinc/59/38/47/595593847.db2.gz GDJOAVLXZDBBFU-UAGQMJEPSA-N 2 1 331.366 1.918 20 0 EDADMP COc1cccc([C@@H](O)C2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000860144192 595594615 /nfs/dbraw/zinc/59/46/15/595594615.db2.gz WANYKXPIRNECAV-QUCCMNQESA-N 2 1 348.487 1.897 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NCC[NH2+]C(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849612369 595596908 /nfs/dbraw/zinc/59/69/08/595596908.db2.gz KNUFQQYYDLETIH-IRXDYDNUSA-N 2 1 349.523 1.738 20 0 EDADMP C[NH+]1CCN([C@H](C[NH2+]C[C@@H](O)c2ccccn2)c2cccs2)CC1 ZINC000853060306 595652188 /nfs/dbraw/zinc/65/21/88/595652188.db2.gz URDXUVVWHQITRZ-IAGOWNOFSA-N 2 1 346.500 1.755 20 0 EDADMP COc1ccc(/C=C/C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1O ZINC000855346267 595680804 /nfs/dbraw/zinc/68/08/04/595680804.db2.gz UXERNWIBZJVKHE-HQPKTYMTSA-N 2 1 349.475 1.802 20 0 EDADMP COc1ccc(/C=C/C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1O ZINC000855346267 595680807 /nfs/dbraw/zinc/68/08/07/595680807.db2.gz UXERNWIBZJVKHE-HQPKTYMTSA-N 2 1 349.475 1.802 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)CCCO1 ZINC000853245650 595718851 /nfs/dbraw/zinc/71/88/51/595718851.db2.gz ASSCPZQIAFZMEB-CPUCHLNUSA-N 2 1 325.453 1.212 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)CCCO1 ZINC000853245650 595718853 /nfs/dbraw/zinc/71/88/53/595718853.db2.gz ASSCPZQIAFZMEB-CPUCHLNUSA-N 2 1 325.453 1.212 20 0 EDADMP CCOC(=O)NC1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000850432847 595832829 /nfs/dbraw/zinc/83/28/29/595832829.db2.gz CGAGCPOJEKFWQH-OFLPRAFFSA-N 2 1 341.496 1.870 20 0 EDADMP CCOP(=O)(OCC)[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000851780816 595921109 /nfs/dbraw/zinc/92/11/09/595921109.db2.gz KQYPCNWHLOEKFO-LSDHHAIUSA-N 2 1 334.397 1.989 20 0 EDADMP COC(=O)CCN1CC[C@H]([N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1=O ZINC000859213461 596005785 /nfs/dbraw/zinc/00/57/85/596005785.db2.gz NXHDPDGPVMNRKH-KRWDZBQOSA-N 2 1 347.459 1.344 20 0 EDADMP CCN(C)C(=O)CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856590561 596024918 /nfs/dbraw/zinc/02/49/18/596024918.db2.gz WNBMFSVVKFIWTE-SFHVURJKSA-N 2 1 348.491 1.855 20 0 EDADMP CCN(C)C(=O)CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856590561 596024919 /nfs/dbraw/zinc/02/49/19/596024919.db2.gz WNBMFSVVKFIWTE-SFHVURJKSA-N 2 1 348.491 1.855 20 0 EDADMP CCN(C)C(=O)CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856590561 596024921 /nfs/dbraw/zinc/02/49/21/596024921.db2.gz WNBMFSVVKFIWTE-SFHVURJKSA-N 2 1 348.491 1.855 20 0 EDADMP CCOC[C@H](O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592761 596026557 /nfs/dbraw/zinc/02/65/57/596026557.db2.gz WPSBWASBIRNSJF-AEFFLSMTSA-N 2 1 337.464 1.384 20 0 EDADMP CCOC[C@H](O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856592761 596026560 /nfs/dbraw/zinc/02/65/60/596026560.db2.gz WPSBWASBIRNSJF-AEFFLSMTSA-N 2 1 337.464 1.384 20 0 EDADMP CCOC[C@H](O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856592761 596026563 /nfs/dbraw/zinc/02/65/63/596026563.db2.gz WPSBWASBIRNSJF-AEFFLSMTSA-N 2 1 337.464 1.384 20 0 EDADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NC3CC3)C2)ccn1 ZINC000856598532 596030930 /nfs/dbraw/zinc/03/09/30/596030930.db2.gz VISCDHRQTXNTML-SFHVURJKSA-N 2 1 346.475 1.654 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NC3CC3)C2)ccn1 ZINC000856598532 596030934 /nfs/dbraw/zinc/03/09/34/596030934.db2.gz VISCDHRQTXNTML-SFHVURJKSA-N 2 1 346.475 1.654 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)ccn1 ZINC000856598532 596030939 /nfs/dbraw/zinc/03/09/39/596030939.db2.gz VISCDHRQTXNTML-SFHVURJKSA-N 2 1 346.475 1.654 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)ccn1 ZINC000856598532 596030941 /nfs/dbraw/zinc/03/09/41/596030941.db2.gz VISCDHRQTXNTML-SFHVURJKSA-N 2 1 346.475 1.654 20 0 EDADMP O=C(CC[NH+]1CCc2ccccc2C1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861717216 596078040 /nfs/dbraw/zinc/07/80/40/596078040.db2.gz YQWNNHDDXALRNZ-OALUTQOASA-N 2 1 343.471 1.102 20 0 EDADMP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000861717216 596078045 /nfs/dbraw/zinc/07/80/45/596078045.db2.gz YQWNNHDDXALRNZ-OALUTQOASA-N 2 1 343.471 1.102 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000861717216 596078050 /nfs/dbraw/zinc/07/80/50/596078050.db2.gz YQWNNHDDXALRNZ-OALUTQOASA-N 2 1 343.471 1.102 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CCC([N@H+]3CCCOCC3)CC2)CC1 ZINC000861985017 596170219 /nfs/dbraw/zinc/17/02/19/596170219.db2.gz QPZCGWDRQTVTQG-UHFFFAOYSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(Cl)n1 ZINC000852743672 596237079 /nfs/dbraw/zinc/23/70/79/596237079.db2.gz HMSCMJRBZIOHGB-OAHLLOKOSA-N 2 1 336.867 1.687 20 0 EDADMP CC1(C)CC[C@H](C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)OC1 ZINC000866660407 596283709 /nfs/dbraw/zinc/28/37/09/596283709.db2.gz HRXOSKVRAZSGHD-GVDBMIGSSA-N 2 1 337.508 1.772 20 0 EDADMP NC(=O)c1ccc(CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000866669155 596285891 /nfs/dbraw/zinc/28/58/91/596285891.db2.gz RSZCRWNLLZANCK-ZIAGYGMSSA-N 2 1 329.366 1.787 20 0 EDADMP NC(=O)c1ccc(CC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000866669155 596285895 /nfs/dbraw/zinc/28/58/95/596285895.db2.gz RSZCRWNLLZANCK-ZIAGYGMSSA-N 2 1 329.366 1.787 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862325981 596301997 /nfs/dbraw/zinc/30/19/97/596301997.db2.gz IBGSRNCGRBQVTF-IUODEOHRSA-N 2 1 349.422 1.287 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862325981 596302000 /nfs/dbraw/zinc/30/20/00/596302000.db2.gz IBGSRNCGRBQVTF-IUODEOHRSA-N 2 1 349.422 1.287 20 0 EDADMP CC(C)Oc1cccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866707620 596303154 /nfs/dbraw/zinc/30/31/54/596303154.db2.gz AYLCXVDIFJJUEZ-JQHSSLGASA-N 2 1 345.443 1.841 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000866712263 596304817 /nfs/dbraw/zinc/30/48/17/596304817.db2.gz SBMBPJJQEQXMLL-VVLHAWIVSA-N 2 1 337.464 1.449 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC[NH2+]CC2CC2)c1 ZINC000870871495 596384961 /nfs/dbraw/zinc/38/49/61/596384961.db2.gz BTUMGBRRYAKDGR-QGZVFWFLSA-N 2 1 344.459 1.465 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC[NH2+]CC2CC2)c1 ZINC000870871495 596384964 /nfs/dbraw/zinc/38/49/64/596384964.db2.gz BTUMGBRRYAKDGR-QGZVFWFLSA-N 2 1 344.459 1.465 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H](O)c2cnc[nH]2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000869130156 596420171 /nfs/dbraw/zinc/42/01/71/596420171.db2.gz SVQWJPZFDDSHJO-FSZRXZPDSA-N 2 1 342.443 1.953 20 0 EDADMP Cc1cc(F)ncc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000864984286 596435313 /nfs/dbraw/zinc/43/53/13/596435313.db2.gz MDEBNWVGIBSKDX-UHFFFAOYSA-N 2 1 329.379 1.928 20 0 EDADMP Cc1ccccc1CN1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000871280238 596519809 /nfs/dbraw/zinc/51/98/09/596519809.db2.gz FFHLFQSOZHGERG-MSOLQXFVSA-N 2 1 331.460 1.264 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000871280238 596519812 /nfs/dbraw/zinc/51/98/12/596519812.db2.gz FFHLFQSOZHGERG-MSOLQXFVSA-N 2 1 331.460 1.264 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000871280238 596519815 /nfs/dbraw/zinc/51/98/15/596519815.db2.gz FFHLFQSOZHGERG-MSOLQXFVSA-N 2 1 331.460 1.264 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000871280238 596519818 /nfs/dbraw/zinc/51/98/18/596519818.db2.gz FFHLFQSOZHGERG-MSOLQXFVSA-N 2 1 331.460 1.264 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000871280238 596519822 /nfs/dbraw/zinc/51/98/22/596519822.db2.gz FFHLFQSOZHGERG-MSOLQXFVSA-N 2 1 331.460 1.264 20 0 EDADMP C[NH+](C)C1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CCC1 ZINC000119359481 596523249 /nfs/dbraw/zinc/52/32/49/596523249.db2.gz BEABXYHGRJWXAD-MRXNPFEDSA-N 2 1 344.459 1.559 20 0 EDADMP C[NH+](C)C1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CCC1 ZINC000119359481 596523255 /nfs/dbraw/zinc/52/32/55/596523255.db2.gz BEABXYHGRJWXAD-MRXNPFEDSA-N 2 1 344.459 1.559 20 0 EDADMP C[C@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)CC1(C)OCCO1 ZINC000865674065 596645793 /nfs/dbraw/zinc/64/57/93/596645793.db2.gz GMJGHPJBEXBYRQ-HNNXBMFYSA-N 2 1 349.479 1.107 20 0 EDADMP CC(C)CC[C@@H]([NH3+])c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000863674142 596653943 /nfs/dbraw/zinc/65/39/43/596653943.db2.gz VCTUCPYPNKUALS-CQSZACIVSA-N 2 1 337.468 1.601 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1c2c(nc3ncnn31)CCC2 ZINC000865934624 596728766 /nfs/dbraw/zinc/72/87/66/596728766.db2.gz YUZDSZZPUFFRRE-ZDUSSCGKSA-N 2 1 331.468 1.297 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)ccc1C ZINC000872144488 596808976 /nfs/dbraw/zinc/80/89/76/596808976.db2.gz GMDAGAMENAWTJR-INIZCTEOSA-N 2 1 343.431 1.669 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)ccc1C ZINC000872144489 596809446 /nfs/dbraw/zinc/80/94/46/596809446.db2.gz GMDAGAMENAWTJR-MRXNPFEDSA-N 2 1 343.431 1.669 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])[C@H](C)C1 ZINC000872191232 596827925 /nfs/dbraw/zinc/82/79/25/596827925.db2.gz XUEHTBQNRIPXLQ-HZPDHXFCSA-N 2 1 340.512 1.153 20 0 EDADMP COC(=O)C1=CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000872215929 596838896 /nfs/dbraw/zinc/83/88/96/596838896.db2.gz IHUCQCSETAPJBY-MJGOQNOKSA-N 2 1 330.428 1.475 20 0 EDADMP COC(=O)C1=CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000872215929 596838900 /nfs/dbraw/zinc/83/89/00/596838900.db2.gz IHUCQCSETAPJBY-MJGOQNOKSA-N 2 1 330.428 1.475 20 0 EDADMP CCOC(=O)C1=CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000872216021 596839787 /nfs/dbraw/zinc/83/97/87/596839787.db2.gz MBYMONSIWOHOFJ-QUCCMNQESA-N 2 1 344.455 1.865 20 0 EDADMP CCOC(=O)C1=CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000872216021 596839790 /nfs/dbraw/zinc/83/97/90/596839790.db2.gz MBYMONSIWOHOFJ-QUCCMNQESA-N 2 1 344.455 1.865 20 0 EDADMP CCCOc1cccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872254477 596855400 /nfs/dbraw/zinc/85/54/00/596855400.db2.gz FIWNAWRIFJNXFE-NXHRZFHOSA-N 2 1 345.443 1.842 20 0 EDADMP COCC[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)CC2(CCC2)C1=O ZINC000872634119 597001427 /nfs/dbraw/zinc/00/14/27/597001427.db2.gz WLACFIVCOQBNLR-UHFFFAOYSA-N 2 1 337.464 1.163 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)CC2(CCC2)C1=O ZINC000872634119 597001428 /nfs/dbraw/zinc/00/14/28/597001428.db2.gz WLACFIVCOQBNLR-UHFFFAOYSA-N 2 1 337.464 1.163 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1 ZINC000872664179 597019449 /nfs/dbraw/zinc/01/94/49/597019449.db2.gz QEFKOHHXAHFQBV-DLBZAZTESA-N 2 1 337.489 1.605 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](COC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC000125830800 597145411 /nfs/dbraw/zinc/14/54/11/597145411.db2.gz GGIFHNURGNUUCW-INIZCTEOSA-N 2 1 344.415 1.781 20 0 EDADMP CC(C)CN1CCO[C@H](COC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC000125830800 597145413 /nfs/dbraw/zinc/14/54/13/597145413.db2.gz GGIFHNURGNUUCW-INIZCTEOSA-N 2 1 344.415 1.781 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000874841211 597195191 /nfs/dbraw/zinc/19/51/91/597195191.db2.gz AEYHZMABLVKZEM-ILOCAZANSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000874841211 597195193 /nfs/dbraw/zinc/19/51/93/597195193.db2.gz AEYHZMABLVKZEM-ILOCAZANSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000874841211 597195196 /nfs/dbraw/zinc/19/51/96/597195196.db2.gz AEYHZMABLVKZEM-ILOCAZANSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000874841211 597195199 /nfs/dbraw/zinc/19/51/99/597195199.db2.gz AEYHZMABLVKZEM-ILOCAZANSA-N 2 1 337.508 1.815 20 0 EDADMP [NH3+]C[C@H]1CCCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000876513317 597226097 /nfs/dbraw/zinc/22/60/97/597226097.db2.gz BVUQYHFSMQUYDU-GOSISDBHSA-N 3 1 344.503 1.567 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)C1 ZINC000876521094 597229666 /nfs/dbraw/zinc/22/96/66/597229666.db2.gz HCLWEKCISBXEPV-HUUCEWRRSA-N 2 1 345.443 1.876 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)cn1 ZINC000876720237 597304179 /nfs/dbraw/zinc/30/41/79/597304179.db2.gz FENVIRDVZMFEQC-QAPCUYQASA-N 2 1 325.416 1.724 20 0 EDADMP CC[C@H](CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000876723013 597305834 /nfs/dbraw/zinc/30/58/34/597305834.db2.gz KQANQXKZVDEAMD-NXHRZFHOSA-N 2 1 333.451 1.887 20 0 EDADMP CC[C@H](CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000876723012 597305850 /nfs/dbraw/zinc/30/58/50/597305850.db2.gz KQANQXKZVDEAMD-KBAYOESNSA-N 2 1 333.451 1.887 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876728906 597309977 /nfs/dbraw/zinc/30/99/77/597309977.db2.gz ZEOLJHDTAKBOSR-CQSZACIVSA-N 2 1 347.381 1.790 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876755215 597324057 /nfs/dbraw/zinc/32/40/57/597324057.db2.gz SYVFRGDJVGBQSC-JKSUJKDBSA-N 2 1 331.464 1.425 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)cc2)CC1 ZINC000876782595 597338924 /nfs/dbraw/zinc/33/89/24/597338924.db2.gz XTFJNSXRWGUJDL-MSOLQXFVSA-N 2 1 344.503 1.424 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151767 597443836 /nfs/dbraw/zinc/44/38/36/597443836.db2.gz RESWZQFTLCYHMO-DLBZAZTESA-N 2 1 332.492 1.340 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151767 597443841 /nfs/dbraw/zinc/44/38/41/597443841.db2.gz RESWZQFTLCYHMO-DLBZAZTESA-N 2 1 332.492 1.340 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000877229120 597469077 /nfs/dbraw/zinc/46/90/77/597469077.db2.gz HKAMNHXWKCLYPJ-QAPCUYQASA-N 2 1 331.460 1.453 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000877229120 597469079 /nfs/dbraw/zinc/46/90/79/597469079.db2.gz HKAMNHXWKCLYPJ-QAPCUYQASA-N 2 1 331.460 1.453 20 0 EDADMP [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000877244649 597477010 /nfs/dbraw/zinc/47/70/10/597477010.db2.gz IJKHHBFSPRYIDS-SOAMZJECSA-N 2 1 343.471 1.379 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877357112 597500125 /nfs/dbraw/zinc/50/01/25/597500125.db2.gz RFWCOJCAVCJOAT-UTUOFQBUSA-N 2 1 332.370 1.992 20 0 EDADMP COCC[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC000877482505 597523030 /nfs/dbraw/zinc/52/30/30/597523030.db2.gz BJHURTXQMMSOOE-QLFBSQMISA-N 2 1 327.469 1.410 20 0 EDADMP COCC[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC000877482505 597523031 /nfs/dbraw/zinc/52/30/31/597523031.db2.gz BJHURTXQMMSOOE-QLFBSQMISA-N 2 1 327.469 1.410 20 0 EDADMP COCC[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC000877482505 597523032 /nfs/dbraw/zinc/52/30/32/597523032.db2.gz BJHURTXQMMSOOE-QLFBSQMISA-N 2 1 327.469 1.410 20 0 EDADMP COCC[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC000877482505 597523033 /nfs/dbraw/zinc/52/30/33/597523033.db2.gz BJHURTXQMMSOOE-QLFBSQMISA-N 2 1 327.469 1.410 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000877895316 597562516 /nfs/dbraw/zinc/56/25/16/597562516.db2.gz PXPIVVKUMTYWBT-UHFFFAOYSA-N 2 1 344.503 1.323 20 0 EDADMP C[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)CC1 ZINC000877928480 597564643 /nfs/dbraw/zinc/56/46/43/597564643.db2.gz WYSUPBUAYQLBGX-FQEVSTJZSA-N 2 1 345.487 1.642 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCc3ccc(C(N)=O)cc3)CC2)C1 ZINC000878248208 597589839 /nfs/dbraw/zinc/58/98/39/597589839.db2.gz SIINYIVDYJMUQU-GOSISDBHSA-N 2 1 330.476 1.040 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CCC4(CCOCC4)O3)CC2)C1 ZINC000878247993 597589915 /nfs/dbraw/zinc/58/99/15/597589915.db2.gz NBUVUPRTWLPFEQ-QZTJIDSGSA-N 2 1 337.508 1.426 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CCC4(CCOCC4)O3)CC2)C1 ZINC000878247993 597589916 /nfs/dbraw/zinc/58/99/16/597589916.db2.gz NBUVUPRTWLPFEQ-QZTJIDSGSA-N 2 1 337.508 1.426 20 0 EDADMP CC[N@H+](C)C[C@@H](O)Cn1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000881419100 597610697 /nfs/dbraw/zinc/61/06/97/597610697.db2.gz LPVPTABHFBVLCG-MJGOQNOKSA-N 2 1 343.475 1.758 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000881419100 597610698 /nfs/dbraw/zinc/61/06/98/597610698.db2.gz LPVPTABHFBVLCG-MJGOQNOKSA-N 2 1 343.475 1.758 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879579056 597640467 /nfs/dbraw/zinc/64/04/67/597640467.db2.gz IZCSHVVGGRPPOY-CKEIUWERSA-N 2 1 327.469 1.288 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879579056 597640473 /nfs/dbraw/zinc/64/04/73/597640473.db2.gz IZCSHVVGGRPPOY-CKEIUWERSA-N 2 1 327.469 1.288 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879579056 597640475 /nfs/dbraw/zinc/64/04/75/597640475.db2.gz IZCSHVVGGRPPOY-CKEIUWERSA-N 2 1 327.469 1.288 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879579056 597640479 /nfs/dbraw/zinc/64/04/79/597640479.db2.gz IZCSHVVGGRPPOY-CKEIUWERSA-N 2 1 327.469 1.288 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)CC1 ZINC000878625495 597659754 /nfs/dbraw/zinc/65/97/54/597659754.db2.gz VTSDOAJQTMDMNX-GOSISDBHSA-N 2 1 342.487 1.334 20 0 EDADMP COC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@H]1CCCOC1 ZINC000883234465 597691378 /nfs/dbraw/zinc/69/13/78/597691378.db2.gz GMEWKYXIUFVRDI-ZCNNSNEGSA-N 2 1 348.487 1.784 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000879973918 597792000 /nfs/dbraw/zinc/79/20/00/597792000.db2.gz FDINZMSDCUGOAD-XMTFNYHQSA-N 2 1 337.508 1.602 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000879973918 597792002 /nfs/dbraw/zinc/79/20/02/597792002.db2.gz FDINZMSDCUGOAD-XMTFNYHQSA-N 2 1 337.508 1.602 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000879973918 597792005 /nfs/dbraw/zinc/79/20/05/597792005.db2.gz FDINZMSDCUGOAD-XMTFNYHQSA-N 2 1 337.508 1.602 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000883575534 597809232 /nfs/dbraw/zinc/80/92/32/597809232.db2.gz JHBKWAJPEXGFOE-TZMCWYRMSA-N 2 1 344.381 1.964 20 0 EDADMP CCc1ccc(C[NH+]2CCN(C[C@H](O)C[N@@H+](C)CCOC)CC2)cc1 ZINC000880249077 597881951 /nfs/dbraw/zinc/88/19/51/597881951.db2.gz RXJYRCKNDCDTEG-HXUWFJFHSA-N 2 1 349.519 1.306 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCC(C)(C)CO1 ZINC000883770345 597895148 /nfs/dbraw/zinc/89/51/48/597895148.db2.gz PANSKZVYORKSPS-HOTGVXAUSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCC(C)(C)CO1 ZINC000883770345 597895149 /nfs/dbraw/zinc/89/51/49/597895149.db2.gz PANSKZVYORKSPS-HOTGVXAUSA-N 2 1 342.528 1.763 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)CC1 ZINC000880551680 597961461 /nfs/dbraw/zinc/96/14/61/597961461.db2.gz JGPDOHVKJRVCCL-GOSISDBHSA-N 2 1 342.487 1.635 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)CC1 ZINC000880551680 597961462 /nfs/dbraw/zinc/96/14/62/597961462.db2.gz JGPDOHVKJRVCCL-GOSISDBHSA-N 2 1 342.487 1.635 20 0 EDADMP C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000133891787 598015743 /nfs/dbraw/zinc/01/57/43/598015743.db2.gz QIOSRJMPZUIDJQ-DZGCQCFKSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000133891787 598015745 /nfs/dbraw/zinc/01/57/45/598015745.db2.gz QIOSRJMPZUIDJQ-DZGCQCFKSA-N 2 1 326.485 1.268 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884192656 598022112 /nfs/dbraw/zinc/02/21/12/598022112.db2.gz KVTYSQROLQLAIB-GXFFZTMASA-N 2 1 326.238 1.517 20 0 EDADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)C1CC1 ZINC000884200613 598026132 /nfs/dbraw/zinc/02/61/32/598026132.db2.gz GTQDYXBNZPFESO-CYBMUJFWSA-N 2 1 326.238 1.659 20 0 EDADMP [NH3+][C@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccccc1C(F)(F)F ZINC000884292670 598057317 /nfs/dbraw/zinc/05/73/17/598057317.db2.gz IGFUXOYQTFYSSZ-STQMWFEESA-N 2 1 327.350 1.964 20 0 EDADMP C[C@@H]([NH3+])c1cn(CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)nn1 ZINC000881070760 598063824 /nfs/dbraw/zinc/06/38/24/598063824.db2.gz RMBOGIHICPWJBM-HUUCEWRRSA-N 2 1 342.447 1.203 20 0 EDADMP CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC000992735937 695255577 /nfs/dbraw/zinc/25/55/77/695255577.db2.gz BSSORMSZJYJYGV-VNQPRFMTSA-N 2 1 334.464 1.975 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCC3)[C@H]2C1 ZINC000992856985 695416949 /nfs/dbraw/zinc/41/69/49/695416949.db2.gz MBXDEQRUWKKISV-GBESFXJTSA-N 2 1 349.519 1.726 20 0 EDADMP O=C(NC1CN(CC2CC(F)(F)C2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001031081732 695483803 /nfs/dbraw/zinc/48/38/03/695483803.db2.gz BPWGFVWEIQEHOA-HUUCEWRRSA-N 2 1 327.419 1.849 20 0 EDADMP COc1ccc(CC[NH+]2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001031260281 696066821 /nfs/dbraw/zinc/06/68/21/696066821.db2.gz OFBDQVJIMMXDHD-INIZCTEOSA-N 2 1 331.460 1.380 20 0 EDADMP COc1ccc(CC[NH+]2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001031260281 696066825 /nfs/dbraw/zinc/06/68/25/696066825.db2.gz OFBDQVJIMMXDHD-INIZCTEOSA-N 2 1 331.460 1.380 20 0 EDADMP Cc1c(C(=O)N[C@@H]2CCC[N@@H+](CCCO)[C@@H]2C)ccc2c[nH+]cn21 ZINC000993500168 696179391 /nfs/dbraw/zinc/17/93/91/696179391.db2.gz IRBZAESCYLJVMP-RHSMWYFYSA-N 2 1 330.432 1.608 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@H+]1CCn1cccn1 ZINC000993527440 696206381 /nfs/dbraw/zinc/20/63/81/696206381.db2.gz JBJVRGDFROHQTA-IAGOWNOFSA-N 2 1 345.491 1.481 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000993559652 696243077 /nfs/dbraw/zinc/24/30/77/696243077.db2.gz BKZAFLNJDBAWMB-NVXWUHKLSA-N 2 1 345.491 1.518 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@H+]1Cc1cnn(C)c1 ZINC000993559652 696243078 /nfs/dbraw/zinc/24/30/78/696243078.db2.gz BKZAFLNJDBAWMB-NVXWUHKLSA-N 2 1 345.491 1.518 20 0 EDADMP Cc1nocc1C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993761755 696360571 /nfs/dbraw/zinc/36/05/71/696360571.db2.gz OQRYBKICTZWFHF-PBHICJAKSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nocc1C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993761755 696360572 /nfs/dbraw/zinc/36/05/72/696360572.db2.gz OQRYBKICTZWFHF-PBHICJAKSA-N 2 1 334.464 1.794 20 0 EDADMP C[C@@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1CCn1cccn1 ZINC000993929365 696448398 /nfs/dbraw/zinc/44/83/98/696448398.db2.gz PKWMLAAXRJWBPW-SJLPKXTDSA-N 2 1 347.507 1.584 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)CCC[N@H+]1CCCO ZINC000994164066 696551467 /nfs/dbraw/zinc/55/14/67/696551467.db2.gz WIAUMKHZOQWBAU-GDBMZVCRSA-N 2 1 343.431 1.232 20 0 EDADMP C[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000916003311 696610300 /nfs/dbraw/zinc/61/03/00/696610300.db2.gz YPZHBELKFRQVMK-CVEARBPZSA-N 2 1 342.553 1.293 20 0 EDADMP C[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000916003311 696610301 /nfs/dbraw/zinc/61/03/01/696610301.db2.gz YPZHBELKFRQVMK-CVEARBPZSA-N 2 1 342.553 1.293 20 0 EDADMP Cc1ccncc1C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994248142 696637853 /nfs/dbraw/zinc/63/78/53/696637853.db2.gz DNDSGUVVXNEDST-WMZOPIPTSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)on1 ZINC000994249370 696639242 /nfs/dbraw/zinc/63/92/42/696639242.db2.gz GCVKAESRTHZHTK-GDBMZVCRSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)on1 ZINC000994249370 696639244 /nfs/dbraw/zinc/63/92/44/696639244.db2.gz GCVKAESRTHZHTK-GDBMZVCRSA-N 2 1 332.448 1.548 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994489187 696931363 /nfs/dbraw/zinc/93/13/63/696931363.db2.gz TXFSSSZCJNMVNY-YJBOKZPZSA-N 2 1 333.476 1.977 20 0 EDADMP C[C@@H]1[C@H](NC(=O)Cn2ccnc2)CCC[N@H+]1Cc1ccc(CO)cc1 ZINC000994504097 696941541 /nfs/dbraw/zinc/94/15/41/696941541.db2.gz GOABPHZXPOBVIU-CRAIPNDOSA-N 2 1 342.443 1.545 20 0 EDADMP Cc1nn(C)cc1CN1CCC[C@H](NC(=O)Cn2ccnc2)[C@H]1C ZINC000994513087 696958303 /nfs/dbraw/zinc/95/83/03/696958303.db2.gz YWLMXRPLLOHPDT-ZBFHGGJFSA-N 2 1 330.436 1.094 20 0 EDADMP Cc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000940024320 700122620 /nfs/dbraw/zinc/12/26/20/700122620.db2.gz FUESOBUGNPAMGJ-SFHVURJKSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000940024320 700122621 /nfs/dbraw/zinc/12/26/21/700122621.db2.gz FUESOBUGNPAMGJ-SFHVURJKSA-N 2 1 345.487 1.796 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001031580300 697276057 /nfs/dbraw/zinc/27/60/57/697276057.db2.gz RYUKXCQQUYPFDD-IBGZPJMESA-N 2 1 338.455 1.877 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001031584478 697279952 /nfs/dbraw/zinc/27/99/52/697279952.db2.gz DDTLPRSGCNQFPI-UKRRQHHQSA-N 2 1 329.435 1.954 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000919634498 697307612 /nfs/dbraw/zinc/30/76/12/697307612.db2.gz JNHWEQKTMUAPTE-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)C1 ZINC000919634498 697307613 /nfs/dbraw/zinc/30/76/13/697307613.db2.gz JNHWEQKTMUAPTE-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)C1 ZINC000919634498 697307616 /nfs/dbraw/zinc/30/76/16/697307616.db2.gz JNHWEQKTMUAPTE-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=S)NC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000920306573 697418876 /nfs/dbraw/zinc/41/88/76/697418876.db2.gz ALRJYZZJHJRFJN-ZIAGYGMSSA-N 2 1 342.553 1.433 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)CC[N@H+]1C ZINC000920406059 697426819 /nfs/dbraw/zinc/42/68/19/697426819.db2.gz XFKOSZNVBWHLOT-KBXIAJHMSA-N 2 1 326.510 1.348 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC[NH+]1C ZINC000920406059 697426821 /nfs/dbraw/zinc/42/68/21/697426821.db2.gz XFKOSZNVBWHLOT-KBXIAJHMSA-N 2 1 326.510 1.348 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC[NH+]1C ZINC000920406059 697426823 /nfs/dbraw/zinc/42/68/23/697426823.db2.gz XFKOSZNVBWHLOT-KBXIAJHMSA-N 2 1 326.510 1.348 20 0 EDADMP Cc1cc(CN2CC(CNC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)on1 ZINC001031668683 697462530 /nfs/dbraw/zinc/46/25/30/697462530.db2.gz LZMMKMUNSHOMSX-HOTGVXAUSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675487 697485684 /nfs/dbraw/zinc/48/56/84/697485684.db2.gz JQUZOOZGKQHHPT-GOSISDBHSA-N 2 1 328.460 1.280 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@H](O)C3CCCCC3)C2)CC[N@H+]1C ZINC001031681754 697505817 /nfs/dbraw/zinc/50/58/17/697505817.db2.gz HXOAXKBRHMAFJQ-OLMNPRSZSA-N 2 1 337.508 1.316 20 0 EDADMP O=C(NCC1C[NH+](CCc2ccccc2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688571 697525564 /nfs/dbraw/zinc/52/55/64/697525564.db2.gz IRGFTNYXVBZTHK-RTBURBONSA-N 2 1 343.471 1.140 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C[N@H+]1C1CC1 ZINC000921383951 697582527 /nfs/dbraw/zinc/58/25/27/697582527.db2.gz GLKOMMRPHZXEET-KYJSFNMBSA-N 2 1 345.491 1.999 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C(C)(C)C[NH+](C)C ZINC000921387878 697587469 /nfs/dbraw/zinc/58/74/69/697587469.db2.gz TXYDLLKQZPIIJA-ZNMIVQPWSA-N 2 1 342.553 1.842 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000921435170 697611352 /nfs/dbraw/zinc/61/13/52/697611352.db2.gz WBWSHGHDPKYZLP-FHLIZLRMSA-N 2 1 345.491 1.856 20 0 EDADMP CC[C@H](C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1)OC ZINC001031730675 698086675 /nfs/dbraw/zinc/08/66/75/698086675.db2.gz VATXOZAXYOXVSU-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP O=C(NCC1C[NH+](CC2CCOCC2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001031731672 698108374 /nfs/dbraw/zinc/10/83/74/698108374.db2.gz IFRRRQPZXKRFKJ-INIZCTEOSA-N 2 1 332.448 1.235 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2coc(C)n2)C1 ZINC000995038492 700202400 /nfs/dbraw/zinc/20/24/00/700202400.db2.gz QFBRHTNPPUVJLA-HUUCEWRRSA-N 2 1 331.420 1.563 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2coc(C)n2)C1 ZINC000995038496 700207922 /nfs/dbraw/zinc/20/79/22/700207922.db2.gz QFBRHTNPPUVJLA-LSDHHAIUSA-N 2 1 331.420 1.563 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)ncn1 ZINC000940116814 700249120 /nfs/dbraw/zinc/24/91/20/700249120.db2.gz HYPWSVXTUUOWQR-NVXWUHKLSA-N 2 1 345.491 1.596 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nncn3C)CC2)CC[N@H+]1C ZINC000940123578 700256821 /nfs/dbraw/zinc/25/68/21/700256821.db2.gz MTESIAJMHGBQKX-LSDHHAIUSA-N 2 1 348.495 1.016 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943772102 698877221 /nfs/dbraw/zinc/87/72/21/698877221.db2.gz QEUVRENMUAFXPS-PBHICJAKSA-N 2 1 343.431 1.354 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943772102 698877223 /nfs/dbraw/zinc/87/72/23/698877223.db2.gz QEUVRENMUAFXPS-PBHICJAKSA-N 2 1 343.431 1.354 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@@H]3CCC(F)(F)C3)C2)O1 ZINC001031766035 699054797 /nfs/dbraw/zinc/05/47/97/699054797.db2.gz ZMOBEHOXDIMGPV-UMVBOHGHSA-N 2 1 345.434 1.189 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@@H]3CCC(F)(F)C3)C2)O1 ZINC001031766035 699054799 /nfs/dbraw/zinc/05/47/99/699054799.db2.gz ZMOBEHOXDIMGPV-UMVBOHGHSA-N 2 1 345.434 1.189 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765796 699056988 /nfs/dbraw/zinc/05/69/88/699056988.db2.gz PSGZIXVPJYHHBH-IIDMSEBBSA-N 2 1 331.460 1.515 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765796 699056991 /nfs/dbraw/zinc/05/69/91/699056991.db2.gz PSGZIXVPJYHHBH-IIDMSEBBSA-N 2 1 331.460 1.515 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)c(C)o1 ZINC000939063196 699106134 /nfs/dbraw/zinc/10/61/34/699106134.db2.gz BSGNNEDLJGRPQF-YVEFUNNKSA-N 2 1 334.464 1.570 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3nonc3c2)C1 ZINC001031777163 699162264 /nfs/dbraw/zinc/16/22/64/699162264.db2.gz XIDHCRXDVCWNHT-QGZVFWFLSA-N 2 1 343.431 1.255 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939127031 699204667 /nfs/dbraw/zinc/20/46/67/699204667.db2.gz AXYOWXVRMQYCNK-CXAGYDPISA-N 2 1 348.491 1.960 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ncccn1 ZINC000939128263 699206419 /nfs/dbraw/zinc/20/64/19/699206419.db2.gz ITFYQVOABYBNTQ-HUUCEWRRSA-N 2 1 331.464 1.145 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ncccn1 ZINC000939128263 699206422 /nfs/dbraw/zinc/20/64/22/699206422.db2.gz ITFYQVOABYBNTQ-HUUCEWRRSA-N 2 1 331.464 1.145 20 0 EDADMP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC000939320685 699499205 /nfs/dbraw/zinc/49/92/05/699499205.db2.gz WZXHCKOSEWVPON-WMZOPIPTSA-N 2 1 346.475 1.049 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)no1 ZINC000939386697 699539454 /nfs/dbraw/zinc/53/94/54/699539454.db2.gz DBIPHCWSFSTYEC-WMLDXEAASA-N 2 1 334.464 1.651 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941675002 701614886 /nfs/dbraw/zinc/61/48/86/701614886.db2.gz PJXXEYFRVHMNAP-QGZVFWFLSA-N 2 1 340.487 1.049 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000941676883 701615635 /nfs/dbraw/zinc/61/56/35/701615635.db2.gz GOOIYAYNISDICA-UHFFFAOYSA-N 2 1 348.535 1.657 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000939757422 699924523 /nfs/dbraw/zinc/92/45/23/699924523.db2.gz YGPOSVGNQMJDNV-ZBFHGGJFSA-N 2 1 348.495 1.065 20 0 EDADMP C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1[NH2+]Cc1ccon1 ZINC000939806585 699955337 /nfs/dbraw/zinc/95/53/37/699955337.db2.gz KKSFCSDVKFRHND-KBXCAEBGSA-N 2 1 342.443 1.987 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnnn2C)CC1 ZINC000940142813 700271846 /nfs/dbraw/zinc/27/18/46/700271846.db2.gz SOHDUBWGHRIGOF-MRXNPFEDSA-N 2 1 348.495 1.160 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCCN(Cc2nncs2)CC1 ZINC000948244541 700428506 /nfs/dbraw/zinc/42/85/06/700428506.db2.gz HHLOUCGUFOLEDF-ZIAGYGMSSA-N 2 1 337.493 1.445 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940328056 700505660 /nfs/dbraw/zinc/50/56/60/700505660.db2.gz DTDQNCGAEJDETN-HOCLYGCPSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1 ZINC000940328911 700507510 /nfs/dbraw/zinc/50/75/10/700507510.db2.gz NDVXCROVZYENCJ-ZDUSSCGKSA-N 2 1 337.493 1.493 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940329767 700509682 /nfs/dbraw/zinc/50/96/82/700509682.db2.gz YQBYBAZKNFISHD-HNNXBMFYSA-N 2 1 333.480 1.375 20 0 EDADMP CC1([NH2+]CC2CCCC2)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000940378109 700575397 /nfs/dbraw/zinc/57/53/97/700575397.db2.gz LQFNQJGTVQKAKT-UHFFFAOYSA-N 2 1 337.508 1.870 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC000940426283 700620098 /nfs/dbraw/zinc/62/00/98/700620098.db2.gz NNSPIPGIJQIJAS-DLBZAZTESA-N 2 1 337.508 1.726 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cs1 ZINC000940457605 700661162 /nfs/dbraw/zinc/66/11/62/700661162.db2.gz MOWLJGYCINSGCC-CQSZACIVSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000940461481 700664513 /nfs/dbraw/zinc/66/45/13/700664513.db2.gz CSNONPYDTYLAEJ-DOTOQJQBSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC000940461627 700664985 /nfs/dbraw/zinc/66/49/85/700664985.db2.gz FWVLQUHYCDLPKU-UHFFFAOYSA-N 2 1 345.447 1.967 20 0 EDADMP Cc1nonc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000995099935 700886544 /nfs/dbraw/zinc/88/65/44/700886544.db2.gz BGGISJBSYGWKEI-LSDHHAIUSA-N 2 1 349.479 1.484 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3c(C)noc3C)C2)C1 ZINC001031918708 701036521 /nfs/dbraw/zinc/03/65/21/701036521.db2.gz SQRWTMGJESXMOT-KRWDZBQOSA-N 2 1 348.491 1.961 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3c(C)noc3C)C2)C1 ZINC001031918708 701036522 /nfs/dbraw/zinc/03/65/22/701036522.db2.gz SQRWTMGJESXMOT-KRWDZBQOSA-N 2 1 348.491 1.961 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001031923333 701097204 /nfs/dbraw/zinc/09/72/04/701097204.db2.gz ZXKYBIOGEFGDRY-GOSISDBHSA-N 2 1 349.519 1.724 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)CC[N@H+]1C ZINC001031925856 701128997 /nfs/dbraw/zinc/12/89/97/701128997.db2.gz QCHCMDAXKCJKRT-BHYGNILZSA-N 2 1 337.508 1.580 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124509 701182321 /nfs/dbraw/zinc/18/23/21/701182321.db2.gz REDPDEDDXZAOEN-DLBZAZTESA-N 2 1 339.524 1.970 20 0 EDADMP CC1(C)C[N@@H+](CCOC2CCC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221128 701411401 /nfs/dbraw/zinc/41/14/01/701411401.db2.gz LJSUFPPIRMBWHG-KRWDZBQOSA-N 2 1 337.508 1.868 20 0 EDADMP CCc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999190924 706633443 /nfs/dbraw/zinc/63/34/43/706633443.db2.gz WFKVFUMBELFGIR-VNQPRFMTSA-N 2 1 348.491 1.966 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000995806516 702053157 /nfs/dbraw/zinc/05/31/57/702053157.db2.gz WUHNVELXBONUDG-HZPDHXFCSA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000995806516 702053163 /nfs/dbraw/zinc/05/31/63/702053163.db2.gz WUHNVELXBONUDG-HZPDHXFCSA-N 2 1 348.495 1.015 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)oc1C ZINC000995827285 702100590 /nfs/dbraw/zinc/10/05/90/702100590.db2.gz UIYFESHODCDWCR-BMFZPTHFSA-N 2 1 348.491 1.958 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)oc1C ZINC000995827285 702100592 /nfs/dbraw/zinc/10/05/92/702100592.db2.gz UIYFESHODCDWCR-BMFZPTHFSA-N 2 1 348.491 1.958 20 0 EDADMP Cc1cc(F)ccc1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031980475 702132101 /nfs/dbraw/zinc/13/21/01/702132101.db2.gz SNOMEGOCFZMMQM-KSSFIOAISA-N 2 1 333.451 1.880 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCc3ccc(F)c(F)c3)C2)C1 ZINC001032182248 702190840 /nfs/dbraw/zinc/19/08/40/702190840.db2.gz ILGBGYDDGHQENM-OAHLLOKOSA-N 2 1 337.414 1.507 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995893018 702193509 /nfs/dbraw/zinc/19/35/09/702193509.db2.gz GXSHLPOSPFKIJL-CVEARBPZSA-N 2 1 334.464 1.650 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995899463 702205023 /nfs/dbraw/zinc/20/50/23/702205023.db2.gz WHMGJPLYFVRLAR-AWEZNQCLSA-N 2 1 335.452 1.189 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccon3)C(C)(C)C2)C1 ZINC000995886689 702223277 /nfs/dbraw/zinc/22/32/77/702223277.db2.gz RZFMRZMPPXQSLF-WBVHZDCISA-N 2 1 348.491 1.979 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccon3)C(C)(C)C2)C1 ZINC000995886689 702223281 /nfs/dbraw/zinc/22/32/81/702223281.db2.gz RZFMRZMPPXQSLF-WBVHZDCISA-N 2 1 348.491 1.979 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000995921877 702244509 /nfs/dbraw/zinc/24/45/09/702244509.db2.gz ZDHAZHKPQJIYPF-HZPDHXFCSA-N 2 1 349.479 1.659 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000995921877 702244512 /nfs/dbraw/zinc/24/45/12/702244512.db2.gz ZDHAZHKPQJIYPF-HZPDHXFCSA-N 2 1 349.479 1.659 20 0 EDADMP C[C@@H]([NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C)c1nncn1C ZINC000995916396 702277660 /nfs/dbraw/zinc/27/76/60/702277660.db2.gz IJXUMPYSSWPUKI-HIFRSBDPSA-N 2 1 348.495 1.187 20 0 EDADMP C[C@@H]([NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C)c1nncn1C ZINC000995916396 702277662 /nfs/dbraw/zinc/27/76/62/702277662.db2.gz IJXUMPYSSWPUKI-HIFRSBDPSA-N 2 1 348.495 1.187 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCc3ccccc3Cl)C2)C1 ZINC001032185913 702311946 /nfs/dbraw/zinc/31/19/46/702311946.db2.gz FHOOBTCXQTWKFL-MRXNPFEDSA-N 2 1 335.879 1.882 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000995975072 702331236 /nfs/dbraw/zinc/33/12/36/702331236.db2.gz IMSPLMCVCDWIEV-GJZGRUSLSA-N 2 1 336.505 1.954 20 0 EDADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995972947 702357487 /nfs/dbraw/zinc/35/74/87/702357487.db2.gz FJMJTEDYCUOBFJ-HZPDHXFCSA-N 2 1 333.480 1.231 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000995974078 702359366 /nfs/dbraw/zinc/35/93/66/702359366.db2.gz HNBZZCNEGMUOQP-SJORKVTESA-N 2 1 330.476 1.893 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996040407 702455763 /nfs/dbraw/zinc/45/57/63/702455763.db2.gz AAIMADZBHCXGID-INIZCTEOSA-N 2 1 327.432 1.613 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)C(C)(C)C1 ZINC000996042905 702460005 /nfs/dbraw/zinc/46/00/05/702460005.db2.gz NVONWRVZRGBBKL-QGZVFWFLSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnoc2C)C1 ZINC000995205862 702645628 /nfs/dbraw/zinc/64/56/28/702645628.db2.gz CPVPAAVSDQQXNO-ZBFHGGJFSA-N 2 1 331.420 1.563 20 0 EDADMP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)o1 ZINC000996246485 702649849 /nfs/dbraw/zinc/64/98/49/702649849.db2.gz IJZSJKCIZFYTLM-MRXNPFEDSA-N 2 1 348.491 1.905 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996302220 702693970 /nfs/dbraw/zinc/69/39/70/702693970.db2.gz WZSJYPLJNDKJHG-GJZGRUSLSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996302220 702693972 /nfs/dbraw/zinc/69/39/72/702693972.db2.gz WZSJYPLJNDKJHG-GJZGRUSLSA-N 2 1 348.495 1.109 20 0 EDADMP C[C@H]1C[N@@H+](CC2CCOCC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942255760 702747038 /nfs/dbraw/zinc/74/70/38/702747038.db2.gz AMAZTUUURAZKBT-WMZOPIPTSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000995218608 702754696 /nfs/dbraw/zinc/75/46/96/702754696.db2.gz YGFJBBRTXBXUHZ-KGLIPLIRSA-N 2 1 333.461 1.723 20 0 EDADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996399849 702756661 /nfs/dbraw/zinc/75/66/61/702756661.db2.gz TUPIXIXLCDOQIJ-YOEHRIQHSA-N 2 1 348.491 1.842 20 0 EDADMP CCn1nncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996465575 702792771 /nfs/dbraw/zinc/79/27/71/702792771.db2.gz WNLUPDOFCVOZMQ-KRWDZBQOSA-N 2 1 348.495 1.251 20 0 EDADMP COCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434650 702841308 /nfs/dbraw/zinc/84/13/08/702841308.db2.gz DINBVZXGJMNAKT-ZWKOTPCHSA-N 2 1 339.524 1.924 20 0 EDADMP COCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948434650 702841311 /nfs/dbraw/zinc/84/13/11/702841311.db2.gz DINBVZXGJMNAKT-ZWKOTPCHSA-N 2 1 339.524 1.924 20 0 EDADMP COCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948434650 702841312 /nfs/dbraw/zinc/84/13/12/702841312.db2.gz DINBVZXGJMNAKT-ZWKOTPCHSA-N 2 1 339.524 1.924 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(N[C@@H](C)c3noc(C)n3)CC2)CC[N@H+]1C ZINC000996602881 702909386 /nfs/dbraw/zinc/90/93/86/702909386.db2.gz ICFAIXCHSVWBOE-VBNZEHGJSA-N 2 1 349.479 1.750 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@@H](C)c3noc(C)n3)CC2)CC[N@@H+]1C ZINC000996602881 702909387 /nfs/dbraw/zinc/90/93/87/702909387.db2.gz ICFAIXCHSVWBOE-VBNZEHGJSA-N 2 1 349.479 1.750 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@@H](C)c3noc(C)n3)CC2)CC[N@H+]1C ZINC000996602881 702909388 /nfs/dbraw/zinc/90/93/88/702909388.db2.gz ICFAIXCHSVWBOE-VBNZEHGJSA-N 2 1 349.479 1.750 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)cc1 ZINC000996608331 702911642 /nfs/dbraw/zinc/91/16/42/702911642.db2.gz HKBROYVVRGSSOZ-AEFFLSMTSA-N 2 1 345.487 1.974 20 0 EDADMP COc1ccnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)c1 ZINC000996614361 702919804 /nfs/dbraw/zinc/91/98/04/702919804.db2.gz MTEHMACTSRFTJY-YOEHRIQHSA-N 2 1 346.475 1.369 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCC3CCOCC3)C(C)(C)C2)C1 ZINC000996615637 702922982 /nfs/dbraw/zinc/92/29/82/702922982.db2.gz QDNUUEYDMLIQMR-IAGOWNOFSA-N 2 1 337.508 1.581 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CC3CCCC3)C(C)(C)C2)C1 ZINC000996643347 702946098 /nfs/dbraw/zinc/94/60/98/702946098.db2.gz JKVYTBGAIWEGHS-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CC3CCCC3)C(C)(C)C2)C1 ZINC000996643347 702946099 /nfs/dbraw/zinc/94/60/99/702946099.db2.gz JKVYTBGAIWEGHS-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([NH2+]Cc2nnc(C3CC3)[nH]2)CC1)C1CCC1 ZINC000996667024 702963908 /nfs/dbraw/zinc/96/39/08/702963908.db2.gz VVXNCPWXAGXWIY-UHFFFAOYSA-N 2 1 346.479 1.247 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000996667734 702964894 /nfs/dbraw/zinc/96/48/94/702964894.db2.gz XPHPLMPMWQNNNF-HNNXBMFYSA-N 2 1 349.479 1.437 20 0 EDADMP CN(C)c1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001032314401 702965456 /nfs/dbraw/zinc/96/54/56/702965456.db2.gz XKXIYLBNVAGFIT-FHWLQOOXSA-N 2 1 342.487 1.632 20 0 EDADMP CN(C)c1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001032314401 702965458 /nfs/dbraw/zinc/96/54/58/702965458.db2.gz XKXIYLBNVAGFIT-FHWLQOOXSA-N 2 1 342.487 1.632 20 0 EDADMP CN(C)c1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001032314401 702965459 /nfs/dbraw/zinc/96/54/59/702965459.db2.gz XKXIYLBNVAGFIT-FHWLQOOXSA-N 2 1 342.487 1.632 20 0 EDADMP CN(C)c1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001032314401 702965461 /nfs/dbraw/zinc/96/54/61/702965461.db2.gz XKXIYLBNVAGFIT-FHWLQOOXSA-N 2 1 342.487 1.632 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)n1 ZINC000996664970 702967029 /nfs/dbraw/zinc/96/70/29/702967029.db2.gz NMXUBUXRFPQWOA-UHFFFAOYSA-N 2 1 349.479 1.758 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1)[NH+]1CCCC1 ZINC000996672146 702973171 /nfs/dbraw/zinc/97/31/71/702973171.db2.gz AOMXMXYZMCQSAD-HZPDHXFCSA-N 2 1 349.479 1.517 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996681193 702979698 /nfs/dbraw/zinc/97/96/98/702979698.db2.gz XLOUNTQNCMBOBS-WBVHZDCISA-N 2 1 346.475 1.768 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000996731162 703028236 /nfs/dbraw/zinc/02/82/36/703028236.db2.gz VGJFKTOGWVJBAJ-KRWDZBQOSA-N 2 1 346.475 1.655 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nncn2C)CC1 ZINC000996755367 703044232 /nfs/dbraw/zinc/04/42/32/703044232.db2.gz CGLWHEZZEZYULR-INIZCTEOSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596677 703111186 /nfs/dbraw/zinc/11/11/86/703111186.db2.gz DTJBEDRGSQZXRN-RDTXWAMCSA-N 2 1 348.466 1.889 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596677 703111188 /nfs/dbraw/zinc/11/11/88/703111188.db2.gz DTJBEDRGSQZXRN-RDTXWAMCSA-N 2 1 348.466 1.889 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)c(C)o1 ZINC000942597038 703111764 /nfs/dbraw/zinc/11/17/64/703111764.db2.gz IDWMNMCEAJLMOP-CXAGYDPISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)c(C)o1 ZINC000942597038 703111765 /nfs/dbraw/zinc/11/17/65/703111765.db2.gz IDWMNMCEAJLMOP-CXAGYDPISA-N 2 1 348.491 1.960 20 0 EDADMP CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C(F)(F)F ZINC000996836169 703123691 /nfs/dbraw/zinc/12/36/91/703123691.db2.gz RGKRGWMSTKGITO-JQWIXIFHSA-N 2 1 348.369 1.596 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996842696 703129305 /nfs/dbraw/zinc/12/93/05/703129305.db2.gz CNFVMICOIKLBBM-UONOGXRCSA-N 2 1 344.381 1.828 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cn1 ZINC000996920803 703191522 /nfs/dbraw/zinc/19/15/22/703191522.db2.gz FOMKQIYFJNCGLG-YOEHRIQHSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000996920940 703191883 /nfs/dbraw/zinc/19/18/83/703191883.db2.gz HFCIPPRLBYVSQO-ZFWWWQNUSA-N 2 1 334.464 1.794 20 0 EDADMP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032042417 703199910 /nfs/dbraw/zinc/19/99/10/703199910.db2.gz CPMXABJHFREYSM-RTBURBONSA-N 2 1 349.519 1.868 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3cccnc3)CC2)C1 ZINC000996933904 703203087 /nfs/dbraw/zinc/20/30/87/703203087.db2.gz YQYSRVFWOADUBV-SFHVURJKSA-N 2 1 346.475 1.271 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3cccnc3)CC2)C1 ZINC000996933904 703203089 /nfs/dbraw/zinc/20/30/89/703203089.db2.gz YQYSRVFWOADUBV-SFHVURJKSA-N 2 1 346.475 1.271 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032044628 703245724 /nfs/dbraw/zinc/24/57/24/703245724.db2.gz VTFGMPVHFKJKGC-MSOLQXFVSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032044628 703245726 /nfs/dbraw/zinc/24/57/26/703245726.db2.gz VTFGMPVHFKJKGC-MSOLQXFVSA-N 2 1 328.460 1.647 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1)c1ncccn1 ZINC000997000274 703257277 /nfs/dbraw/zinc/25/72/77/703257277.db2.gz OQIMBBPWXBTHJW-HUUCEWRRSA-N 2 1 331.464 1.603 20 0 EDADMP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997004001 703260935 /nfs/dbraw/zinc/26/09/35/703260935.db2.gz BGZJEBTUDOMOTF-PBHICJAKSA-N 2 1 346.475 1.369 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000997013247 703272834 /nfs/dbraw/zinc/27/28/34/703272834.db2.gz ZFSDIGKCRVKSHZ-UKRRQHHQSA-N 2 1 349.479 1.471 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000997013247 703272837 /nfs/dbraw/zinc/27/28/37/703272837.db2.gz ZFSDIGKCRVKSHZ-UKRRQHHQSA-N 2 1 349.479 1.471 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cn(C(C)(C)C)nn3)CC2)C1 ZINC000997300836 703544119 /nfs/dbraw/zinc/54/41/19/703544119.db2.gz YGVKJMGSQPMLTL-CQSZACIVSA-N 2 1 348.495 1.065 20 0 EDADMP CCCCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997299074 703556587 /nfs/dbraw/zinc/55/65/87/703556587.db2.gz MWMYNZMDVQSULK-CQSZACIVSA-N 2 1 349.479 1.445 20 0 EDADMP CCCCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997299074 703556589 /nfs/dbraw/zinc/55/65/89/703556589.db2.gz MWMYNZMDVQSULK-CQSZACIVSA-N 2 1 349.479 1.445 20 0 EDADMP CC(C)c1nc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000997299929 703557068 /nfs/dbraw/zinc/55/70/68/703557068.db2.gz RRJAEYFIMUDSRZ-ZDUSSCGKSA-N 2 1 335.452 1.225 20 0 EDADMP CC(C)c1nc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000997299929 703557069 /nfs/dbraw/zinc/55/70/69/703557069.db2.gz RRJAEYFIMUDSRZ-ZDUSSCGKSA-N 2 1 335.452 1.225 20 0 EDADMP Cc1csc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC000997308770 703566619 /nfs/dbraw/zinc/56/66/19/703566619.db2.gz HOJGSQOXIRUBRF-UHFFFAOYSA-N 2 1 333.461 1.737 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000997366667 703600362 /nfs/dbraw/zinc/60/03/62/703600362.db2.gz IXHWROKQSLZAMR-SFHVURJKSA-N 2 1 347.507 1.418 20 0 EDADMP CCO[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)C[NH+](C)C ZINC000921565723 703606029 /nfs/dbraw/zinc/60/60/29/703606029.db2.gz PIVGLUHBMXRIIK-IRXDYDNUSA-N 2 1 342.528 1.620 20 0 EDADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000921584349 703627713 /nfs/dbraw/zinc/62/77/13/703627713.db2.gz UVUXRZOVJXQJEF-IIDMSEBBSA-N 2 1 345.491 1.999 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997507877 703756213 /nfs/dbraw/zinc/75/62/13/703756213.db2.gz GWRJCKASZHIKKT-HOCLYGCPSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997507877 703756214 /nfs/dbraw/zinc/75/62/14/703756214.db2.gz GWRJCKASZHIKKT-HOCLYGCPSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997507870 703756372 /nfs/dbraw/zinc/75/63/72/703756372.db2.gz GWRJCKASZHIKKT-GOEBONIOSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997507870 703756374 /nfs/dbraw/zinc/75/63/74/703756374.db2.gz GWRJCKASZHIKKT-GOEBONIOSA-N 2 1 333.480 1.231 20 0 EDADMP COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001032488360 703761449 /nfs/dbraw/zinc/76/14/49/703761449.db2.gz AONZJDRCWFNGCL-KCXAZCMYSA-N 2 1 328.416 1.576 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)ncn1 ZINC000997516601 703765852 /nfs/dbraw/zinc/76/58/52/703765852.db2.gz SISXEPVHCRKVDH-YJBOKZPZSA-N 2 1 345.491 1.596 20 0 EDADMP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CCC[NH+]2CCC3)C1 ZINC001032497945 703795588 /nfs/dbraw/zinc/79/55/88/703795588.db2.gz FUSVQPWSZHWDKY-YESZJQIVSA-N 2 1 347.503 1.715 20 0 EDADMP CC1(C)CO[C@@H](C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CCC[NH+]2CCC3)C1 ZINC001032497945 703795589 /nfs/dbraw/zinc/79/55/89/703795589.db2.gz FUSVQPWSZHWDKY-YESZJQIVSA-N 2 1 347.503 1.715 20 0 EDADMP Cc1cc(C)c(C(=O)NC2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC000997556452 703828492 /nfs/dbraw/zinc/82/84/92/703828492.db2.gz KFJJXWDGUJZUOJ-OAHLLOKOSA-N 2 1 344.459 1.289 20 0 EDADMP CC(C)n1ncnc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997608331 703905233 /nfs/dbraw/zinc/90/52/33/703905233.db2.gz VAVVDMBCPQUWJJ-MRXNPFEDSA-N 2 1 348.495 1.281 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997612936 703910713 /nfs/dbraw/zinc/91/07/13/703910713.db2.gz MYYAKFMZFSTEKM-CQSZACIVSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000997612936 703910714 /nfs/dbraw/zinc/91/07/14/703910714.db2.gz MYYAKFMZFSTEKM-CQSZACIVSA-N 2 1 335.452 1.054 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)cn1 ZINC000995549253 703932385 /nfs/dbraw/zinc/93/23/85/703932385.db2.gz BVERDNRSPOMPBP-CVEARBPZSA-N 2 1 346.475 1.511 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)on1 ZINC001004203689 703940322 /nfs/dbraw/zinc/94/03/22/703940322.db2.gz NCLWELSCMVSUTR-GJZGRUSLSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1ccccc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997645041 703953399 /nfs/dbraw/zinc/95/33/99/703953399.db2.gz LFGJWIINXIWEDZ-IBGZPJMESA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997645041 703953400 /nfs/dbraw/zinc/95/34/00/703953400.db2.gz LFGJWIINXIWEDZ-IBGZPJMESA-N 2 1 345.487 1.654 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001004206575 703964528 /nfs/dbraw/zinc/96/45/28/703964528.db2.gz FDXHWSAPYUYVFR-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP CCCn1ncnc1CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995554386 703969219 /nfs/dbraw/zinc/96/92/19/703969219.db2.gz WTROBKGRKTUKKS-LSDHHAIUSA-N 2 1 348.495 1.109 20 0 EDADMP CCCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995554386 703969220 /nfs/dbraw/zinc/96/92/20/703969220.db2.gz WTROBKGRKTUKKS-LSDHHAIUSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)nn1C ZINC000995555156 703974107 /nfs/dbraw/zinc/97/41/07/703974107.db2.gz YOJKTMHQPHTEDP-HOTGVXAUSA-N 2 1 333.480 1.149 20 0 EDADMP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995555497 703975469 /nfs/dbraw/zinc/97/54/69/703975469.db2.gz ZJAMWONSOFRLQH-IAGOWNOFSA-N 2 1 330.476 1.811 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033068796 704080197 /nfs/dbraw/zinc/08/01/97/704080197.db2.gz DDUKRMANXWVUPR-ROUUACIJSA-N 2 1 347.507 1.368 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001033068796 704080198 /nfs/dbraw/zinc/08/01/98/704080198.db2.gz DDUKRMANXWVUPR-ROUUACIJSA-N 2 1 347.507 1.368 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001033068796 704080199 /nfs/dbraw/zinc/08/01/99/704080199.db2.gz DDUKRMANXWVUPR-ROUUACIJSA-N 2 1 347.507 1.368 20 0 EDADMP CC[C@H](F)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033083980 704153085 /nfs/dbraw/zinc/15/30/85/704153085.db2.gz DCNGCDMQOJFRHV-LSDHHAIUSA-N 2 1 339.459 1.339 20 0 EDADMP CC[C@H](F)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033083980 704153088 /nfs/dbraw/zinc/15/30/88/704153088.db2.gz DCNGCDMQOJFRHV-LSDHHAIUSA-N 2 1 339.459 1.339 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(CO)cc3)C2)CC[N@H+]1C ZINC001033093141 704169958 /nfs/dbraw/zinc/16/99/58/704169958.db2.gz WRVDDKKMENKOJT-ATZDWAIDSA-N 2 1 345.487 1.552 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)CC[NH+]1C ZINC001033093141 704169960 /nfs/dbraw/zinc/16/99/60/704169960.db2.gz WRVDDKKMENKOJT-ATZDWAIDSA-N 2 1 345.487 1.552 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(CO)cc3)C2)CC[NH+]1C ZINC001033093141 704169962 /nfs/dbraw/zinc/16/99/62/704169962.db2.gz WRVDDKKMENKOJT-ATZDWAIDSA-N 2 1 345.487 1.552 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC000999301948 706805241 /nfs/dbraw/zinc/80/52/41/706805241.db2.gz FBFDZDNKIDFZQC-AEFFLSMTSA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2ncc(C)o2)C1 ZINC000999303044 706806831 /nfs/dbraw/zinc/80/68/31/706806831.db2.gz HJJMTTUZQDFQLZ-HOTGVXAUSA-N 2 1 334.464 1.938 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CCCF)CC2)C1 ZINC001004379590 704355235 /nfs/dbraw/zinc/35/52/35/704355235.db2.gz JVGTUSMRQRZQKI-SJORKVTESA-N 2 1 341.471 1.380 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CCCF)CC2)C1 ZINC001004379590 704355238 /nfs/dbraw/zinc/35/52/38/704355238.db2.gz JVGTUSMRQRZQKI-SJORKVTESA-N 2 1 341.471 1.380 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CCCF)CC2)C1 ZINC001004379590 704355240 /nfs/dbraw/zinc/35/52/40/704355240.db2.gz JVGTUSMRQRZQKI-SJORKVTESA-N 2 1 341.471 1.380 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CCCF)CC2)C1 ZINC001004379590 704355243 /nfs/dbraw/zinc/35/52/43/704355243.db2.gz JVGTUSMRQRZQKI-SJORKVTESA-N 2 1 341.471 1.380 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000999311111 706812448 /nfs/dbraw/zinc/81/24/48/706812448.db2.gz YSUWSWOTVSGEEZ-KGLIPLIRSA-N 2 1 337.493 1.493 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000999311111 706812452 /nfs/dbraw/zinc/81/24/52/706812452.db2.gz YSUWSWOTVSGEEZ-KGLIPLIRSA-N 2 1 337.493 1.493 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000999309775 706812562 /nfs/dbraw/zinc/81/25/62/706812562.db2.gz VWHIMKRMRKCBSG-SJLPKXTDSA-N 2 1 347.507 1.684 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC([C@@H]2CCC[NH+]2CCO)CC1 ZINC001004457479 704450891 /nfs/dbraw/zinc/45/08/91/704450891.db2.gz LDJHKONDCZCWMG-MSOLQXFVSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004457479 704450893 /nfs/dbraw/zinc/45/08/93/704450893.db2.gz LDJHKONDCZCWMG-MSOLQXFVSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004457479 704450895 /nfs/dbraw/zinc/45/08/95/704450895.db2.gz LDJHKONDCZCWMG-MSOLQXFVSA-N 2 1 337.508 1.556 20 0 EDADMP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004461238 704455104 /nfs/dbraw/zinc/45/51/04/704455104.db2.gz ZKWWPSLFUSSGNQ-SFHVURJKSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001004461238 704455106 /nfs/dbraw/zinc/45/51/06/704455106.db2.gz ZKWWPSLFUSSGNQ-SFHVURJKSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001004461238 704455108 /nfs/dbraw/zinc/45/51/08/704455108.db2.gz ZKWWPSLFUSSGNQ-SFHVURJKSA-N 2 1 337.508 1.820 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000997862154 704769830 /nfs/dbraw/zinc/76/98/30/704769830.db2.gz UBYGWDRFPGVHCV-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1ccnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000997864566 704771458 /nfs/dbraw/zinc/77/14/58/704771458.db2.gz KNZHHPINKAXHLJ-KRWDZBQOSA-N 2 1 345.491 1.598 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945029621 704956610 /nfs/dbraw/zinc/95/66/10/704956610.db2.gz UYWXUWDUCISWCU-CRAIPNDOSA-N 2 1 333.476 1.835 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)Cn3c[nH+]cc3C)CC2)no1 ZINC000997915749 704979538 /nfs/dbraw/zinc/97/95/38/704979538.db2.gz NPJNYJGFTGJUOD-UHFFFAOYSA-N 2 1 331.420 1.516 20 0 EDADMP CCc1nocc1C[NH2+]CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000997916466 704982260 /nfs/dbraw/zinc/98/22/60/704982260.db2.gz VDRRJXGCOPDUFD-UHFFFAOYSA-N 2 1 345.447 1.770 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@@H]2CCCCO2)CC[N@H+]1C ZINC001032587180 705105293 /nfs/dbraw/zinc/10/52/93/705105293.db2.gz OQWBVGJNFCXWNB-VMXHOPILSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCCCO2)CC[NH+]1C ZINC001032587180 705105295 /nfs/dbraw/zinc/10/52/95/705105295.db2.gz OQWBVGJNFCXWNB-VMXHOPILSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCCCO2)CC[NH+]1C ZINC001032587180 705105297 /nfs/dbraw/zinc/10/52/97/705105297.db2.gz OQWBVGJNFCXWNB-VMXHOPILSA-N 2 1 349.519 1.961 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)no1 ZINC000998080953 705300308 /nfs/dbraw/zinc/30/03/08/705300308.db2.gz GJPVQOOHGIHKHL-CXAGYDPISA-N 2 1 334.464 1.509 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC000998081615 705303181 /nfs/dbraw/zinc/30/31/81/705303181.db2.gz KQTBJISKEFPXNZ-WMZOPIPTSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998080210 705305279 /nfs/dbraw/zinc/30/52/79/705305279.db2.gz YQBRDFZUBXQTDZ-SWLSCSKDSA-N 2 1 337.493 1.064 20 0 EDADMP CC[C@@H](C(=O)N1CCC(C[NH2+][C@H](C)c2noc(C)n2)CC1)[NH+](C)C ZINC000998087426 705320255 /nfs/dbraw/zinc/32/02/55/705320255.db2.gz WFDSQMVSRSLJDA-DOMZBBRYSA-N 2 1 337.468 1.607 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000998107490 705354836 /nfs/dbraw/zinc/35/48/36/705354836.db2.gz XLWPLGORDATRLX-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998137831 705402869 /nfs/dbraw/zinc/40/28/69/705402869.db2.gz AMUFTEUFEMBYQF-GFCCVEGCSA-N 2 1 348.476 1.468 20 0 EDADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998145087 705415135 /nfs/dbraw/zinc/41/51/35/705415135.db2.gz DDJUFYRLUDEFQB-DLBZAZTESA-N 2 1 347.463 1.415 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](Cc2ccn(C)n2)CC1 ZINC000998187658 705491607 /nfs/dbraw/zinc/49/16/07/705491607.db2.gz FPJFSCHTFVMKHR-WMZOPIPTSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCC[N@@H+](Cc2ccn(C)n2)CC1 ZINC000998187658 705491609 /nfs/dbraw/zinc/49/16/09/705491609.db2.gz FPJFSCHTFVMKHR-WMZOPIPTSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](Cc2ccn(C)n2)CC1 ZINC000998187658 705491613 /nfs/dbraw/zinc/49/16/13/705491613.db2.gz FPJFSCHTFVMKHR-WMZOPIPTSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](Cc2ccn(C)n2)CC1 ZINC000998187658 705491617 /nfs/dbraw/zinc/49/16/17/705491617.db2.gz FPJFSCHTFVMKHR-WMZOPIPTSA-N 2 1 347.507 1.575 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000998266751 705635172 /nfs/dbraw/zinc/63/51/72/705635172.db2.gz QJRVGINQGNPQFD-INIZCTEOSA-N 2 1 331.464 1.065 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998552972 705990636 /nfs/dbraw/zinc/99/06/36/705990636.db2.gz USQDNIRRBCQXNO-MQBCKMQZSA-N 2 1 334.464 1.719 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nccn2C(F)F)C1 ZINC000998558197 705994235 /nfs/dbraw/zinc/99/42/35/705994235.db2.gz UZLLPZSRKSMXTB-BPCQOVAHSA-N 2 1 341.406 1.451 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3nnc(C4CC4)[nH]3)C2)CC[N@H+]1C ZINC000998792216 706239087 /nfs/dbraw/zinc/23/90/87/706239087.db2.gz VZEHRNOLWORECC-GALLPEHLSA-N 2 1 346.479 1.101 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC000998797477 706244661 /nfs/dbraw/zinc/24/46/61/706244661.db2.gz WWTXCWAAZMIVSL-BLYZHGLHSA-N 2 1 335.452 1.051 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC000998797477 706244664 /nfs/dbraw/zinc/24/46/64/706244664.db2.gz WWTXCWAAZMIVSL-BLYZHGLHSA-N 2 1 335.452 1.051 20 0 EDADMP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000998995391 706412531 /nfs/dbraw/zinc/41/25/31/706412531.db2.gz RGNHKJHBNSDLAL-OFLPRAFFSA-N 2 1 346.475 1.654 20 0 EDADMP C[C@H]([NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1)c1ncccn1 ZINC000999049063 706469255 /nfs/dbraw/zinc/46/92/55/706469255.db2.gz BVAGLWCVMRSUQT-FHERZECASA-N 2 1 343.475 1.745 20 0 EDADMP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC[C@@H]3C2)cn1 ZINC000946518088 706570469 /nfs/dbraw/zinc/57/04/69/706570469.db2.gz OAFRRGDPPGCHHT-KSZLIROESA-N 2 1 345.491 1.185 20 0 EDADMP Cn1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC[C@@H]3C2)cn1 ZINC000946518088 706570472 /nfs/dbraw/zinc/57/04/72/706570472.db2.gz OAFRRGDPPGCHHT-KSZLIROESA-N 2 1 345.491 1.185 20 0 EDADMP Cn1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC[C@@H]3C2)cn1 ZINC000946518088 706570475 /nfs/dbraw/zinc/57/04/75/706570475.db2.gz OAFRRGDPPGCHHT-KSZLIROESA-N 2 1 345.491 1.185 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccn(C)n3)C2)C1 ZINC000999349840 706862379 /nfs/dbraw/zinc/86/23/79/706862379.db2.gz VKRONHHYTITRNW-SJLPKXTDSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC000999351263 706864180 /nfs/dbraw/zinc/86/41/80/706864180.db2.gz DUFZLBXSYCUZEM-HOTGVXAUSA-N 2 1 348.495 1.159 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999376157 706870295 /nfs/dbraw/zinc/87/02/95/706870295.db2.gz URCDWNQYWXCUDR-IAGOWNOFSA-N 2 1 346.475 1.768 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999366715 706880637 /nfs/dbraw/zinc/88/06/37/706880637.db2.gz ZIEGQGWOSPWDFF-HNNXBMFYSA-N 2 1 348.495 1.424 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999366715 706880640 /nfs/dbraw/zinc/88/06/40/706880640.db2.gz ZIEGQGWOSPWDFF-HNNXBMFYSA-N 2 1 348.495 1.424 20 0 EDADMP Cc1ccnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC000999403071 706911315 /nfs/dbraw/zinc/91/13/15/706911315.db2.gz MVKAJBSESDXAPY-IUDNXUCKSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1ccnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC000999403071 706911319 /nfs/dbraw/zinc/91/13/19/706911319.db2.gz MVKAJBSESDXAPY-IUDNXUCKSA-N 2 1 331.464 1.206 20 0 EDADMP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)cn1 ZINC000999405237 706914258 /nfs/dbraw/zinc/91/42/58/706914258.db2.gz DIZDZYCGKKFGME-ZLPCBKJTSA-N 2 1 347.507 1.509 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)[nH]1 ZINC000999410431 706920327 /nfs/dbraw/zinc/92/03/27/706920327.db2.gz XHHULCAXLRCMOA-WLYUNCDWSA-N 2 1 348.495 1.349 20 0 EDADMP Cc1cccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999499009 706996894 /nfs/dbraw/zinc/99/68/94/706996894.db2.gz YGYYSKNUAWYFGT-JFIYKMOQSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1cccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999499009 706996897 /nfs/dbraw/zinc/99/68/97/706996897.db2.gz YGYYSKNUAWYFGT-JFIYKMOQSA-N 2 1 346.475 1.190 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncccn2)C1 ZINC000999506860 707004532 /nfs/dbraw/zinc/00/45/32/707004532.db2.gz SRJNGAJPVYVBAS-OFLPRAFFSA-N 2 1 345.491 1.819 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncccn2)C1 ZINC000999506860 707004534 /nfs/dbraw/zinc/00/45/34/707004534.db2.gz SRJNGAJPVYVBAS-OFLPRAFFSA-N 2 1 345.491 1.819 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nncn2C)C1 ZINC000999507367 707004917 /nfs/dbraw/zinc/00/49/17/707004917.db2.gz YBWFVSDUQVPKSJ-GPANFISMSA-N 2 1 348.495 1.157 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CC3)nn2C)C1)[NH+](C)C ZINC000999489688 707025888 /nfs/dbraw/zinc/02/58/88/707025888.db2.gz LOYCMFOQJMVCSU-HUUCEWRRSA-N 2 1 348.495 1.113 20 0 EDADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946697361 707144891 /nfs/dbraw/zinc/14/48/91/707144891.db2.gz RQNYJYJNJRCYCP-KSZLIROESA-N 2 1 335.492 1.024 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)s1 ZINC000999681395 707166184 /nfs/dbraw/zinc/16/61/84/707166184.db2.gz FTEQDZRDCIDIGS-IYXRBSQSSA-N 2 1 337.493 1.267 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)s1 ZINC000999681395 707166186 /nfs/dbraw/zinc/16/61/86/707166186.db2.gz FTEQDZRDCIDIGS-IYXRBSQSSA-N 2 1 337.493 1.267 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4cnon4)C[C@H]3CC2)C1 ZINC000946779606 707244909 /nfs/dbraw/zinc/24/49/09/707244909.db2.gz QHXCLBSTELRMPB-OAGGEKHMSA-N 2 1 347.463 1.082 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](Cc4cnon4)C[C@H]3CC2)C1 ZINC000946779606 707244912 /nfs/dbraw/zinc/24/49/12/707244912.db2.gz QHXCLBSTELRMPB-OAGGEKHMSA-N 2 1 347.463 1.082 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](Cc4cnon4)C[C@H]3CC2)C1 ZINC000946779606 707244914 /nfs/dbraw/zinc/24/49/14/707244914.db2.gz QHXCLBSTELRMPB-OAGGEKHMSA-N 2 1 347.463 1.082 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946779792 707246630 /nfs/dbraw/zinc/24/66/30/707246630.db2.gz SXCFQYSMMHNRTE-CADBVGFASA-N 2 1 349.519 1.678 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946779792 707246633 /nfs/dbraw/zinc/24/66/33/707246633.db2.gz SXCFQYSMMHNRTE-CADBVGFASA-N 2 1 349.519 1.678 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946779792 707246636 /nfs/dbraw/zinc/24/66/36/707246636.db2.gz SXCFQYSMMHNRTE-CADBVGFASA-N 2 1 349.519 1.678 20 0 EDADMP COc1ccnc(C[NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)c1 ZINC000999715764 707253576 /nfs/dbraw/zinc/25/35/76/707253576.db2.gz WMNNOHLACHFKES-HNNXBMFYSA-N 2 1 343.431 1.376 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nocc3C)C[C@H]2CC1)[NH+](C)C ZINC000946784283 707293840 /nfs/dbraw/zinc/29/38/40/707293840.db2.gz FTOZETFNHQFSCO-JZXOWHBKSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033270391 707320910 /nfs/dbraw/zinc/32/09/10/707320910.db2.gz FIAUIFMVSZNSKR-INIZCTEOSA-N 2 1 339.399 1.977 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033183179 707358981 /nfs/dbraw/zinc/35/89/81/707358981.db2.gz WUZKHWDGVCZQHA-IRXDYDNUSA-N 2 1 335.492 1.432 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]CC[C@H]2CCCCO2)C1 ZINC000999837315 707408643 /nfs/dbraw/zinc/40/86/43/707408643.db2.gz PTFBHVGILSWAFI-OFLPRAFFSA-N 2 1 334.464 1.730 20 0 EDADMP Cn1ccnc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)CC[C@@H]2C1 ZINC000946800740 707452468 /nfs/dbraw/zinc/45/24/68/707452468.db2.gz JITNWSSMKWMIHA-GASCZTMLSA-N 2 1 342.447 1.056 20 0 EDADMP Cn1ccnc1CN1C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)CC[C@@H]2C1 ZINC000946800740 707452471 /nfs/dbraw/zinc/45/24/71/707452471.db2.gz JITNWSSMKWMIHA-GASCZTMLSA-N 2 1 342.447 1.056 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946800963 707454946 /nfs/dbraw/zinc/45/49/46/707454946.db2.gz TZQHTGMNCGWCEC-CALCHBBNSA-N 2 1 348.491 1.559 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946800963 707454951 /nfs/dbraw/zinc/45/49/51/707454951.db2.gz TZQHTGMNCGWCEC-CALCHBBNSA-N 2 1 348.491 1.559 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2nn(C)cc2Cl)C1 ZINC000999832819 707464006 /nfs/dbraw/zinc/46/40/06/707464006.db2.gz JDPHKBMEZMYHIC-UHFFFAOYSA-N 2 1 339.871 1.248 20 0 EDADMP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999835501 707469113 /nfs/dbraw/zinc/46/91/13/707469113.db2.gz GLPPQGQRCUUXGK-FHERZECASA-N 2 1 332.448 1.121 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2coc(C)n2)C1 ZINC000999875887 707522738 /nfs/dbraw/zinc/52/27/38/707522738.db2.gz CUXOKRIDYLICCH-BDVYOWHSSA-N 2 1 334.464 1.936 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2coc(C)n2)C1 ZINC000999875887 707522741 /nfs/dbraw/zinc/52/27/41/707522741.db2.gz CUXOKRIDYLICCH-BDVYOWHSSA-N 2 1 334.464 1.936 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999876627 707523909 /nfs/dbraw/zinc/52/39/09/707523909.db2.gz PXSIHNFXYCVKPL-DAWZGUTISA-N 2 1 347.507 1.416 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000999876775 707524704 /nfs/dbraw/zinc/52/47/04/707524704.db2.gz RYBJRFWJVBJOIY-VJFUWPCTSA-N 2 1 347.507 1.416 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccnn3C)C2)C1 ZINC001033353624 707608949 /nfs/dbraw/zinc/60/89/49/707608949.db2.gz HRKIEEDSHLOZDC-IAGOWNOFSA-N 2 1 347.507 1.575 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccnn3C)C2)C1 ZINC001033353624 707608952 /nfs/dbraw/zinc/60/89/52/707608952.db2.gz HRKIEEDSHLOZDC-IAGOWNOFSA-N 2 1 347.507 1.575 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccnn3C)C2)C1 ZINC001033353624 707608955 /nfs/dbraw/zinc/60/89/55/707608955.db2.gz HRKIEEDSHLOZDC-IAGOWNOFSA-N 2 1 347.507 1.575 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccnn3C)C2)C1 ZINC001033353624 707608958 /nfs/dbraw/zinc/60/89/58/707608958.db2.gz HRKIEEDSHLOZDC-IAGOWNOFSA-N 2 1 347.507 1.575 20 0 EDADMP CCCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999997943 707679607 /nfs/dbraw/zinc/67/96/07/707679607.db2.gz PIJOUZRQPMXMAQ-IAGOWNOFSA-N 2 1 348.495 1.426 20 0 EDADMP CCCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999997943 707679610 /nfs/dbraw/zinc/67/96/10/707679610.db2.gz PIJOUZRQPMXMAQ-IAGOWNOFSA-N 2 1 348.495 1.426 20 0 EDADMP CCCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[N@H+]3C)nn2)C1 ZINC000999997943 707679611 /nfs/dbraw/zinc/67/96/11/707679611.db2.gz PIJOUZRQPMXMAQ-IAGOWNOFSA-N 2 1 348.495 1.426 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033395872 707734115 /nfs/dbraw/zinc/73/41/15/707734115.db2.gz LFYKMJYRKUGNML-SFHVURJKSA-N 2 1 347.507 1.374 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCO1 ZINC001032736542 707750702 /nfs/dbraw/zinc/75/07/02/707750702.db2.gz RRNXBABOMGJFRW-HRCADAONSA-N 2 1 344.459 1.615 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCCO1 ZINC001032736542 707750705 /nfs/dbraw/zinc/75/07/05/707750705.db2.gz RRNXBABOMGJFRW-HRCADAONSA-N 2 1 344.459 1.615 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033417920 707801397 /nfs/dbraw/zinc/80/13/97/707801397.db2.gz BFFWCJRROJLXQQ-CZUORRHYSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033417920 707801399 /nfs/dbraw/zinc/80/13/99/707801399.db2.gz BFFWCJRROJLXQQ-CZUORRHYSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033417920 707801401 /nfs/dbraw/zinc/80/14/01/707801401.db2.gz BFFWCJRROJLXQQ-CZUORRHYSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033417920 707801403 /nfs/dbraw/zinc/80/14/03/707801403.db2.gz BFFWCJRROJLXQQ-CZUORRHYSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001004977306 707812862 /nfs/dbraw/zinc/81/28/62/707812862.db2.gz IMWFXKREAJTWOJ-ZFWWWQNUSA-N 2 1 346.479 1.068 20 0 EDADMP Cc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033420489 707832127 /nfs/dbraw/zinc/83/21/27/707832127.db2.gz PWAARXVPFPBPFD-YJBOKZPZSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420489 707832129 /nfs/dbraw/zinc/83/21/29/707832129.db2.gz PWAARXVPFPBPFD-YJBOKZPZSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420489 707832133 /nfs/dbraw/zinc/83/21/33/707832133.db2.gz PWAARXVPFPBPFD-YJBOKZPZSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)s1 ZINC001033421097 707832630 /nfs/dbraw/zinc/83/26/30/707832630.db2.gz VGYPTEXMGFLPIP-DZGCQCFKSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)s1 ZINC001033421097 707832631 /nfs/dbraw/zinc/83/26/31/707832631.db2.gz VGYPTEXMGFLPIP-DZGCQCFKSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)s1 ZINC001033421097 707832633 /nfs/dbraw/zinc/83/26/33/707832633.db2.gz VGYPTEXMGFLPIP-DZGCQCFKSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)s1 ZINC001033421097 707832636 /nfs/dbraw/zinc/83/26/36/707832636.db2.gz VGYPTEXMGFLPIP-DZGCQCFKSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033424511 707836004 /nfs/dbraw/zinc/83/60/04/707836004.db2.gz CTUAKSGIWBBMMG-OAHLLOKOSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033424511 707836011 /nfs/dbraw/zinc/83/60/11/707836011.db2.gz CTUAKSGIWBBMMG-OAHLLOKOSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1ncoc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033424511 707836015 /nfs/dbraw/zinc/83/60/15/707836015.db2.gz CTUAKSGIWBBMMG-OAHLLOKOSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1ncoc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033424511 707836021 /nfs/dbraw/zinc/83/60/21/707836021.db2.gz CTUAKSGIWBBMMG-OAHLLOKOSA-N 2 1 334.464 1.748 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]CC[C@H]3CCOC3)C2)C1 ZINC001000200130 707842713 /nfs/dbraw/zinc/84/27/13/707842713.db2.gz PKAAGYGHIXYGBN-IRXDYDNUSA-N 2 1 337.508 1.726 20 0 EDADMP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001033231039 707901620 /nfs/dbraw/zinc/90/16/20/707901620.db2.gz ZSRXPKSUYNVNJB-DOTOQJQBSA-N 2 1 342.443 1.907 20 0 EDADMP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001033231040 707901806 /nfs/dbraw/zinc/90/18/06/707901806.db2.gz ZSRXPKSUYNVNJB-NVXWUHKLSA-N 2 1 342.443 1.907 20 0 EDADMP CCc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032782140 707971841 /nfs/dbraw/zinc/97/18/41/707971841.db2.gz VXIJKFASWNKJSR-FHWLQOOXSA-N 2 1 327.472 1.986 20 0 EDADMP CCc1ccccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032782140 707971843 /nfs/dbraw/zinc/97/18/43/707971843.db2.gz VXIJKFASWNKJSR-FHWLQOOXSA-N 2 1 327.472 1.986 20 0 EDADMP CCc1ccccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032782140 707971844 /nfs/dbraw/zinc/97/18/44/707971844.db2.gz VXIJKFASWNKJSR-FHWLQOOXSA-N 2 1 327.472 1.986 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccc(F)c(F)c2)C1 ZINC001032782206 707971862 /nfs/dbraw/zinc/97/18/62/707971862.db2.gz YBMPRSUHRZGOBB-JYJNAYRXSA-N 2 1 349.425 1.744 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccc(F)c(F)c2)C1 ZINC001032782206 707971863 /nfs/dbraw/zinc/97/18/63/707971863.db2.gz YBMPRSUHRZGOBB-JYJNAYRXSA-N 2 1 349.425 1.744 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccc(F)c(F)c2)C1 ZINC001032782206 707971864 /nfs/dbraw/zinc/97/18/64/707971864.db2.gz YBMPRSUHRZGOBB-JYJNAYRXSA-N 2 1 349.425 1.744 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccc(F)c(F)c2)C1 ZINC001032782206 707971865 /nfs/dbraw/zinc/97/18/65/707971865.db2.gz YBMPRSUHRZGOBB-JYJNAYRXSA-N 2 1 349.425 1.744 20 0 EDADMP CC(C)=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033489044 707982853 /nfs/dbraw/zinc/98/28/53/707982853.db2.gz DLFFGADDUCWBEQ-QGZVFWFLSA-N 2 1 333.480 1.557 20 0 EDADMP C[C@@H]1CC[C@H](C[N@@H+]2CC=C(CNC(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC001001376622 708140568 /nfs/dbraw/zinc/14/05/68/708140568.db2.gz POKXCVIMENQOQF-NVXWUHKLSA-N 2 1 333.476 1.398 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001033592891 708292135 /nfs/dbraw/zinc/29/21/35/708292135.db2.gz JAIRJVIOPXJDAM-QGZVFWFLSA-N 2 1 343.471 1.694 20 0 EDADMP CCc1onc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033595309 708298280 /nfs/dbraw/zinc/29/82/80/708298280.db2.gz RTUMYDKGSXGMBI-HZPDHXFCSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033595309 708298283 /nfs/dbraw/zinc/29/82/83/708298283.db2.gz RTUMYDKGSXGMBI-HZPDHXFCSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033595309 708298284 /nfs/dbraw/zinc/29/82/84/708298284.db2.gz RTUMYDKGSXGMBI-HZPDHXFCSA-N 2 1 348.491 1.920 20 0 EDADMP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC001001824448 708327173 /nfs/dbraw/zinc/32/71/73/708327173.db2.gz HIVJQQCWTUGINJ-RDTXWAMCSA-N 2 1 345.491 1.311 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)c1 ZINC001033656850 708426827 /nfs/dbraw/zinc/42/68/27/708426827.db2.gz FUOKIOQTYHWZHM-KRWDZBQOSA-N 2 1 342.443 1.933 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)c1 ZINC001033656850 708426830 /nfs/dbraw/zinc/42/68/30/708426830.db2.gz FUOKIOQTYHWZHM-KRWDZBQOSA-N 2 1 342.443 1.933 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033665608 708448600 /nfs/dbraw/zinc/44/86/00/708448600.db2.gz QBPITENMTQSVCP-GDBMZVCRSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033665608 708448602 /nfs/dbraw/zinc/44/86/02/708448602.db2.gz QBPITENMTQSVCP-GDBMZVCRSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001033665608 708448604 /nfs/dbraw/zinc/44/86/04/708448604.db2.gz QBPITENMTQSVCP-GDBMZVCRSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033665608 708448606 /nfs/dbraw/zinc/44/86/06/708448606.db2.gz QBPITENMTQSVCP-GDBMZVCRSA-N 2 1 332.448 1.075 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033667048 708453697 /nfs/dbraw/zinc/45/36/97/708453697.db2.gz CXVNUOADDMAKQK-SFHVURJKSA-N 2 1 342.443 1.417 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033667048 708453700 /nfs/dbraw/zinc/45/37/00/708453700.db2.gz CXVNUOADDMAKQK-SFHVURJKSA-N 2 1 342.443 1.417 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)n1 ZINC001033658804 708469722 /nfs/dbraw/zinc/46/97/22/708469722.db2.gz UQMSELYDKBRVEX-KRWDZBQOSA-N 2 1 333.480 1.128 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC001002122349 708636793 /nfs/dbraw/zinc/63/67/93/708636793.db2.gz CMZNXKVWKZCYOW-HNNXBMFYSA-N 2 1 336.505 1.731 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)cs1 ZINC001002122349 708636796 /nfs/dbraw/zinc/63/67/96/708636796.db2.gz CMZNXKVWKZCYOW-HNNXBMFYSA-N 2 1 336.505 1.731 20 0 EDADMP CO[C@H](C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC001002125429 708640603 /nfs/dbraw/zinc/64/06/03/708640603.db2.gz KKIWPTUXHWNSFQ-ZWKOTPCHSA-N 2 1 337.508 1.581 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2nccn2C)CC1 ZINC001002157859 708672511 /nfs/dbraw/zinc/67/25/11/708672511.db2.gz MGPFCNMUPYORSO-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2nccn2C)CC1 ZINC001002157859 708672513 /nfs/dbraw/zinc/67/25/13/708672513.db2.gz MGPFCNMUPYORSO-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033834606 708861323 /nfs/dbraw/zinc/86/13/23/708861323.db2.gz RIFXLOKYYKVSBL-DJIMGWMZSA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033834606 708861325 /nfs/dbraw/zinc/86/13/25/708861325.db2.gz RIFXLOKYYKVSBL-DJIMGWMZSA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033834606 708861327 /nfs/dbraw/zinc/86/13/27/708861327.db2.gz RIFXLOKYYKVSBL-DJIMGWMZSA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033834606 708861329 /nfs/dbraw/zinc/86/13/29/708861329.db2.gz RIFXLOKYYKVSBL-DJIMGWMZSA-N 2 1 348.491 2.000 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033835322 708862382 /nfs/dbraw/zinc/86/23/82/708862382.db2.gz XZSZSLCPKIFMTI-FHLIZLRMSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033835322 708862386 /nfs/dbraw/zinc/86/23/86/708862386.db2.gz XZSZSLCPKIFMTI-FHLIZLRMSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033835322 708862391 /nfs/dbraw/zinc/86/23/91/708862391.db2.gz XZSZSLCPKIFMTI-FHLIZLRMSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033835322 708862393 /nfs/dbraw/zinc/86/23/93/708862393.db2.gz XZSZSLCPKIFMTI-FHLIZLRMSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001033874948 708941198 /nfs/dbraw/zinc/94/11/98/708941198.db2.gz MDRPSJVPJACLAN-BHIYHBOVSA-N 2 1 345.487 1.829 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001033874948 708941200 /nfs/dbraw/zinc/94/12/00/708941200.db2.gz MDRPSJVPJACLAN-BHIYHBOVSA-N 2 1 345.487 1.829 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001033874948 708941204 /nfs/dbraw/zinc/94/12/04/708941204.db2.gz MDRPSJVPJACLAN-BHIYHBOVSA-N 2 1 345.487 1.829 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001033874948 708941206 /nfs/dbraw/zinc/94/12/06/708941206.db2.gz MDRPSJVPJACLAN-BHIYHBOVSA-N 2 1 345.487 1.829 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001002443718 708963769 /nfs/dbraw/zinc/96/37/69/708963769.db2.gz IEIGNWJVSUNSMW-INIZCTEOSA-N 2 1 332.448 1.265 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC001002443718 708963771 /nfs/dbraw/zinc/96/37/71/708963771.db2.gz IEIGNWJVSUNSMW-INIZCTEOSA-N 2 1 332.448 1.265 20 0 EDADMP COc1ccc(CC[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC001002461922 708987146 /nfs/dbraw/zinc/98/71/46/708987146.db2.gz RYWLRIGCJDGBFI-IBGZPJMESA-N 2 1 345.487 1.913 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033928541 709060741 /nfs/dbraw/zinc/06/07/41/709060741.db2.gz ZZGGBNRYQVCETH-SJORKVTESA-N 2 1 333.480 1.327 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033928541 709060745 /nfs/dbraw/zinc/06/07/45/709060745.db2.gz ZZGGBNRYQVCETH-SJORKVTESA-N 2 1 333.480 1.327 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033928541 709060746 /nfs/dbraw/zinc/06/07/46/709060746.db2.gz ZZGGBNRYQVCETH-SJORKVTESA-N 2 1 333.480 1.327 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033928541 709060752 /nfs/dbraw/zinc/06/07/52/709060752.db2.gz ZZGGBNRYQVCETH-SJORKVTESA-N 2 1 333.480 1.327 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCc4ccccc43)CC2)C1 ZINC001002532013 709088972 /nfs/dbraw/zinc/08/89/72/709088972.db2.gz FHWUSKDSIZJZDD-RTBURBONSA-N 2 1 343.471 1.585 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCc4ccccc43)CC2)C1 ZINC001002532013 709088974 /nfs/dbraw/zinc/08/89/74/709088974.db2.gz FHWUSKDSIZJZDD-RTBURBONSA-N 2 1 343.471 1.585 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033932503 709090570 /nfs/dbraw/zinc/09/05/70/709090570.db2.gz PJPKSXRPJQZVDQ-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033932503 709090572 /nfs/dbraw/zinc/09/05/72/709090572.db2.gz PJPKSXRPJQZVDQ-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033932503 709090574 /nfs/dbraw/zinc/09/05/74/709090574.db2.gz PJPKSXRPJQZVDQ-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033932503 709090575 /nfs/dbraw/zinc/09/05/75/709090575.db2.gz PJPKSXRPJQZVDQ-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001034015174 709230967 /nfs/dbraw/zinc/23/09/67/709230967.db2.gz FITOGWPZZZTWOI-KRWDZBQOSA-N 2 1 335.492 1.432 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2CC[NH+](C[C@H](C)O)CC2)C1 ZINC001005496954 709231297 /nfs/dbraw/zinc/23/12/97/709231297.db2.gz KAEJZVTVAQBUKY-HOTGVXAUSA-N 2 1 325.497 1.268 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)cn1 ZINC001002792580 709400934 /nfs/dbraw/zinc/40/09/34/709400934.db2.gz QTNNXDKUAOVTCQ-GOSISDBHSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)cn1 ZINC001002792580 709400935 /nfs/dbraw/zinc/40/09/35/709400935.db2.gz QTNNXDKUAOVTCQ-GOSISDBHSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034131664 709402111 /nfs/dbraw/zinc/40/21/11/709402111.db2.gz OBGBNLHESNIKSJ-WBVHZDCISA-N 2 1 334.464 1.856 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034131664 709402113 /nfs/dbraw/zinc/40/21/13/709402113.db2.gz OBGBNLHESNIKSJ-WBVHZDCISA-N 2 1 334.464 1.856 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034131664 709402115 /nfs/dbraw/zinc/40/21/15/709402115.db2.gz OBGBNLHESNIKSJ-WBVHZDCISA-N 2 1 334.464 1.856 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034131664 709402117 /nfs/dbraw/zinc/40/21/17/709402117.db2.gz OBGBNLHESNIKSJ-WBVHZDCISA-N 2 1 334.464 1.856 20 0 EDADMP COc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC001002832169 709443409 /nfs/dbraw/zinc/44/34/09/709443409.db2.gz KRMTWAMEMKJENX-MRXNPFEDSA-N 2 1 348.447 1.106 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002833058 709443530 /nfs/dbraw/zinc/44/35/30/709443530.db2.gz NVQXXSKVZDYHEC-WMLDXEAASA-N 2 1 343.475 1.460 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C[C@@H]2COc3ccccc3O2)C1 ZINC001032828524 709452639 /nfs/dbraw/zinc/45/26/39/709452639.db2.gz FKONBQRODBFKDG-ARFHVFGLSA-N 2 1 345.443 1.111 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C[C@@H]2COc3ccccc3O2)C1 ZINC001032828524 709452641 /nfs/dbraw/zinc/45/26/41/709452641.db2.gz FKONBQRODBFKDG-ARFHVFGLSA-N 2 1 345.443 1.111 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C[C@@H]2COc3ccccc3O2)C1 ZINC001032828524 709452643 /nfs/dbraw/zinc/45/26/43/709452643.db2.gz FKONBQRODBFKDG-ARFHVFGLSA-N 2 1 345.443 1.111 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC001032828524 709452647 /nfs/dbraw/zinc/45/26/47/709452647.db2.gz FKONBQRODBFKDG-ARFHVFGLSA-N 2 1 345.443 1.111 20 0 EDADMP CC(C)C[C@@H]1CN(C)CCN1S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000922029934 709457574 /nfs/dbraw/zinc/45/75/74/709457574.db2.gz TZHZWWCNNYDANH-SJORKVTESA-N 2 1 343.537 1.464 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC000702601982 709699507 /nfs/dbraw/zinc/69/95/07/709699507.db2.gz FCHRDBQFZHWVOT-AHIWAGSCSA-N 2 1 327.469 1.334 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC000702601982 709699510 /nfs/dbraw/zinc/69/95/10/709699510.db2.gz FCHRDBQFZHWVOT-AHIWAGSCSA-N 2 1 327.469 1.334 20 0 EDADMP CC(C)(C(=O)N[C@H]1CCCC[N@@H+](C[C@@H]2CCOC2)C1)[NH+]1CCCC1 ZINC001034339484 709801637 /nfs/dbraw/zinc/80/16/37/709801637.db2.gz GZPBATQIIFUXPJ-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CCCC[N@H+](CCCO)C1)CC2 ZINC001034365786 709888050 /nfs/dbraw/zinc/88/80/50/709888050.db2.gz URTWJXRGNUOSKW-HOTGVXAUSA-N 2 1 334.464 1.107 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1)CC2 ZINC001034365786 709888054 /nfs/dbraw/zinc/88/80/54/709888054.db2.gz URTWJXRGNUOSKW-HOTGVXAUSA-N 2 1 334.464 1.107 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001034401400 709945937 /nfs/dbraw/zinc/94/59/37/709945937.db2.gz IHRBADRKWIOWGF-QAPCUYQASA-N 2 1 347.507 1.541 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034401400 709945939 /nfs/dbraw/zinc/94/59/39/709945939.db2.gz IHRBADRKWIOWGF-QAPCUYQASA-N 2 1 347.507 1.541 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034401400 709945941 /nfs/dbraw/zinc/94/59/41/709945941.db2.gz IHRBADRKWIOWGF-QAPCUYQASA-N 2 1 347.507 1.541 20 0 EDADMP CCOC1CC(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001003158283 710065977 /nfs/dbraw/zinc/06/59/77/710065977.db2.gz GARVYMZKWDQEKR-VJFUWPCTSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001003161041 710070319 /nfs/dbraw/zinc/07/03/19/710070319.db2.gz RVWACGNZALLTRY-RTBURBONSA-N 2 1 345.487 1.785 20 0 EDADMP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034490671 710109476 /nfs/dbraw/zinc/10/94/76/710109476.db2.gz MPRNRGAEDJJUKL-IAGOWNOFSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034490671 710109478 /nfs/dbraw/zinc/10/94/78/710109478.db2.gz MPRNRGAEDJJUKL-IAGOWNOFSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490671 710109480 /nfs/dbraw/zinc/10/94/80/710109480.db2.gz MPRNRGAEDJJUKL-IAGOWNOFSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490671 710109481 /nfs/dbraw/zinc/10/94/81/710109481.db2.gz MPRNRGAEDJJUKL-IAGOWNOFSA-N 2 1 345.491 1.598 20 0 EDADMP CO[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034491616 710112409 /nfs/dbraw/zinc/11/24/09/710112409.db2.gz VHFXMRMVVAVHTO-GJZGRUSLSA-N 2 1 334.464 1.767 20 0 EDADMP CO[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034491616 710112410 /nfs/dbraw/zinc/11/24/10/710112410.db2.gz VHFXMRMVVAVHTO-GJZGRUSLSA-N 2 1 334.464 1.767 20 0 EDADMP O=C(N[C@H]1CCCC[N@H+](Cc2cncs2)C1)C12CC[NH+](CC1)C2 ZINC001034491756 710112564 /nfs/dbraw/zinc/11/25/64/710112564.db2.gz WNRBKRONDFWTJL-AWEZNQCLSA-N 2 1 334.489 1.710 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](Cc2cncs2)C1)C12CC[NH+](CC1)C2 ZINC001034491756 710112568 /nfs/dbraw/zinc/11/25/68/710112568.db2.gz WNRBKRONDFWTJL-AWEZNQCLSA-N 2 1 334.489 1.710 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)Cn3c[nH+]cc3C)CC2)cc1 ZINC001003312850 710241346 /nfs/dbraw/zinc/24/13/46/710241346.db2.gz QXYAJSQVPVDURE-UHFFFAOYSA-N 2 1 342.443 1.981 20 0 EDADMP O=C(NC1CC[NH+](C/C=C/Cl)CC1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001003333708 710257683 /nfs/dbraw/zinc/25/76/83/710257683.db2.gz SJALKBCQCVAFBS-FLRLHLSGSA-N 2 1 339.867 1.183 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)ncn1 ZINC001034610675 710284941 /nfs/dbraw/zinc/28/49/41/710284941.db2.gz XXIDYGCZFMCKHC-ZOBUZTSGSA-N 2 1 331.464 1.396 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC001034608326 710300692 /nfs/dbraw/zinc/30/06/92/710300692.db2.gz BMQUXRIKWKJUJB-BRWVUGGUSA-N 2 1 334.439 1.832 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)C1CCN(Cc2csc(C)n2)CC1 ZINC000922163071 710303302 /nfs/dbraw/zinc/30/33/02/710303302.db2.gz KFMKUDIWNAKJLE-MRXNPFEDSA-N 2 1 336.505 1.874 20 0 EDADMP CCN1CC[C@@H]1CNC(=O)C1CCN(Cc2csc(C)n2)CC1 ZINC000922163071 710303303 /nfs/dbraw/zinc/30/33/03/710303303.db2.gz KFMKUDIWNAKJLE-MRXNPFEDSA-N 2 1 336.505 1.874 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001034645109 710321502 /nfs/dbraw/zinc/32/15/02/710321502.db2.gz QHVMDJUICYQEHG-QBYUYEEZSA-N 2 1 347.463 1.461 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnns3)CC2)CC[N@H+]1C ZINC001034647530 710324101 /nfs/dbraw/zinc/32/41/01/710324101.db2.gz KEDXNBRJQIGAPX-RGCMKSIDSA-N 2 1 337.493 1.395 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccnn3C)CC2)CC[N@@H+]1C ZINC001003492156 710374868 /nfs/dbraw/zinc/37/48/68/710374868.db2.gz JNUWNBYFEALSST-GJZGRUSLSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccnn3C)CC2)CC[N@H+]1C ZINC001003492156 710374870 /nfs/dbraw/zinc/37/48/70/710374870.db2.gz JNUWNBYFEALSST-GJZGRUSLSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC001003636617 710456901 /nfs/dbraw/zinc/45/69/01/710456901.db2.gz WWFKTGLZCWKHFE-SUMWQHHRSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC001003636617 710456902 /nfs/dbraw/zinc/45/69/02/710456902.db2.gz WWFKTGLZCWKHFE-SUMWQHHRSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC001003629003 710458878 /nfs/dbraw/zinc/45/88/78/710458878.db2.gz WMJHSJKQVCXKRX-ZDUSSCGKSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)sn1 ZINC001003634818 710462318 /nfs/dbraw/zinc/46/23/18/710462318.db2.gz MORUDDQOWQDPGN-MLGOLLRUSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)sn1 ZINC001003634818 710462319 /nfs/dbraw/zinc/46/23/19/710462319.db2.gz MORUDDQOWQDPGN-MLGOLLRUSA-N 2 1 336.505 1.730 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001003776395 710545405 /nfs/dbraw/zinc/54/54/05/710545405.db2.gz OPVZXYHTEOOQJP-FUHWJXTLSA-N 2 1 345.491 1.518 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001003776395 710545408 /nfs/dbraw/zinc/54/54/08/710545408.db2.gz OPVZXYHTEOOQJP-FUHWJXTLSA-N 2 1 345.491 1.518 20 0 EDADMP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1)C(N)=O ZINC001034661415 710592567 /nfs/dbraw/zinc/59/25/67/710592567.db2.gz OLAQPVKPZSDZDJ-AJNGGQMLSA-N 2 1 347.463 1.041 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H](C)O)CC2)C1 ZINC001034662831 710596163 /nfs/dbraw/zinc/59/61/63/710596163.db2.gz PFRYMJQEADYQFE-YVSFHVDLSA-N 2 1 325.497 1.362 20 0 EDADMP Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC001034673470 710611236 /nfs/dbraw/zinc/61/12/36/710611236.db2.gz BEZHWQPDUHPLOV-BFYDXBDKSA-N 2 1 333.480 1.421 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001034672029 710618263 /nfs/dbraw/zinc/61/82/63/710618263.db2.gz HHSFPIHNSDOMMF-BFYDXBDKSA-N 2 1 334.464 1.984 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1 ZINC001034734666 710917150 /nfs/dbraw/zinc/91/71/50/710917150.db2.gz UYMIGIBQBMXKKI-IXYNUQLISA-N 2 1 336.505 1.858 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034736712 710924469 /nfs/dbraw/zinc/92/44/69/710924469.db2.gz ALXFWMHKZYHPLB-KLHDSHLOSA-N 2 1 331.464 1.191 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034738278 710953683 /nfs/dbraw/zinc/95/36/83/710953683.db2.gz SKWVGJACNLQGAW-PWNZVWSESA-N 2 1 337.493 1.253 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001032960134 710967741 /nfs/dbraw/zinc/96/77/41/710967741.db2.gz NSVLVSMWIRUVDQ-QZTJIDSGSA-N 2 1 331.460 1.306 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001032960134 710967742 /nfs/dbraw/zinc/96/77/42/710967742.db2.gz NSVLVSMWIRUVDQ-QZTJIDSGSA-N 2 1 331.460 1.306 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001032960134 710967743 /nfs/dbraw/zinc/96/77/43/710967743.db2.gz NSVLVSMWIRUVDQ-QZTJIDSGSA-N 2 1 331.460 1.306 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ncccn3)CC2)C1 ZINC001034779952 711065134 /nfs/dbraw/zinc/06/51/34/711065134.db2.gz ZAORJEMPMRGHRY-JYJNAYRXSA-N 2 1 331.464 1.335 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034779424 711085968 /nfs/dbraw/zinc/08/59/68/711085968.db2.gz URQLRFYERRMQLU-ULQDDVLXSA-N 2 1 345.491 1.644 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2C)CC1 ZINC001034795486 711113389 /nfs/dbraw/zinc/11/33/89/711113389.db2.gz JNSLQTOXCLJBCH-JYJNAYRXSA-N 2 1 348.495 1.207 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034791637 711117224 /nfs/dbraw/zinc/11/72/24/711117224.db2.gz ORXOWXGZRSFDRP-BZUAXINKSA-N 2 1 333.480 1.372 20 0 EDADMP Cc1cc(CN2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC001003973042 711128098 /nfs/dbraw/zinc/12/80/98/711128098.db2.gz DJLPVRWYFLNAIK-HNNXBMFYSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC001003973042 711128102 /nfs/dbraw/zinc/12/81/02/711128102.db2.gz DJLPVRWYFLNAIK-HNNXBMFYSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC001003973042 711128105 /nfs/dbraw/zinc/12/81/05/711128105.db2.gz DJLPVRWYFLNAIK-HNNXBMFYSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001005718049 711134778 /nfs/dbraw/zinc/13/47/78/711134778.db2.gz DNLLCEJOCJRJBH-MRXNPFEDSA-N 2 1 334.464 1.541 20 0 EDADMP Cc1ncccc1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003967185 711137809 /nfs/dbraw/zinc/13/78/09/711137809.db2.gz IWXKLRGFODPBAV-MRXNPFEDSA-N 2 1 330.476 1.812 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC2CCOCC2)cc1 ZINC001034810224 711170859 /nfs/dbraw/zinc/17/08/59/711170859.db2.gz ATAACBWEXKIROJ-LJQANCHMSA-N 2 1 345.487 1.913 20 0 EDADMP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001034935728 711363627 /nfs/dbraw/zinc/36/36/27/711363627.db2.gz DOFFEQLPYATXFM-NVXWUHKLSA-N 2 1 334.464 1.936 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC[NH+](CCCF)CC1 ZINC001005742719 711365258 /nfs/dbraw/zinc/36/52/58/711365258.db2.gz TZIJICOCXGPZQS-BFHRDPOASA-N 2 1 339.455 1.132 20 0 EDADMP Cc1oncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001034959093 711433236 /nfs/dbraw/zinc/43/32/36/711433236.db2.gz RJGJNLZSBVRTON-CVEARBPZSA-N 2 1 343.431 1.838 20 0 EDADMP Cc1oncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001034959094 711433434 /nfs/dbraw/zinc/43/34/34/711433434.db2.gz RJGJNLZSBVRTON-HZPDHXFCSA-N 2 1 343.431 1.838 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccn(CC)n2)CC[N@H+]1C ZINC001034940765 711444524 /nfs/dbraw/zinc/44/45/24/711444524.db2.gz DFIBWGLOCYWBCR-FGTMMUONSA-N 2 1 347.507 1.714 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)nc1Cl)C2 ZINC000922391427 711456022 /nfs/dbraw/zinc/45/60/22/711456022.db2.gz WHNNPUBKJUSFKH-HGTKMLMNSA-N 2 1 326.872 1.643 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)[C@H]1C(C)C ZINC000922394347 711460621 /nfs/dbraw/zinc/46/06/21/711460621.db2.gz VOARBEKYTLLVBZ-MLYOOKFZSA-N 2 1 345.487 1.745 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccccc3F)CC2)C1 ZINC001004149509 711563569 /nfs/dbraw/zinc/56/35/69/711563569.db2.gz KGCKQVUDJDAYLZ-KSSFIOAISA-N 2 1 349.450 1.391 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001004151769 711569910 /nfs/dbraw/zinc/56/99/10/711569910.db2.gz MDKCPAWECNDPQT-UHFFFAOYSA-N 2 1 342.443 1.465 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCc2ccncc2OCCC[NH+](C)C)CC[N@H+]1C ZINC000922500342 711625217 /nfs/dbraw/zinc/62/52/17/711625217.db2.gz AEVDNHONAJVWGG-ZBFHGGJFSA-N 2 1 349.479 1.304 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004472243 711848784 /nfs/dbraw/zinc/84/87/84/711848784.db2.gz FQUIJUKNZGSCPQ-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)cc2F)CC1 ZINC000186711314 712233174 /nfs/dbraw/zinc/23/31/74/712233174.db2.gz JHHRKNHASNZFNO-RHSMWYFYSA-N 2 1 348.466 1.695 20 0 EDADMP CC[NH+]1CCN(c2cc(N3CC[N@H+](CC)C[C@H]3C)nc(C)n2)[C@H](C)C1 ZINC000557696096 306233371 /nfs/dbraw/zinc/23/33/71/306233371.db2.gz OKTDLIBVZKHAHH-HZPDHXFCSA-N 2 1 346.523 1.846 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000366636075 282129846 /nfs/dbraw/zinc/12/98/46/282129846.db2.gz MACRSGHCNLFSTK-YJBOKZPZSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H](CNC(=O)C1CC[NH+](Cc2nccn2C)CC1)C[NH+]1CCCC1 ZINC000055541390 214328901 /nfs/dbraw/zinc/32/89/01/214328901.db2.gz LVCBCCBODJOSBG-INIZCTEOSA-N 2 1 347.507 1.480 20 0 EDADMP C[NH+](C)[C@@]1(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCCSC1 ZINC000369360621 282228929 /nfs/dbraw/zinc/22/89/29/282228929.db2.gz YALBGNFGSHCZJI-WBVHZDCISA-N 2 1 325.522 1.947 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH+]1CCOCC1 ZINC000376819141 282237311 /nfs/dbraw/zinc/23/73/11/282237311.db2.gz PVNHCRSDXINOFM-ZWKOTPCHSA-N 2 1 337.508 1.581 20 0 EDADMP CCC(CC)[C@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[NH+]1CCOCC1 ZINC000342720958 282252431 /nfs/dbraw/zinc/25/24/31/282252431.db2.gz SBOOCKDXDBIURH-XLAORIBOSA-N 2 1 337.508 1.709 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000106363720 282254698 /nfs/dbraw/zinc/25/46/98/282254698.db2.gz GMRQZNPRCXPGQI-HKUYNNGSSA-N 2 1 345.487 1.737 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH+]1CCOCC1 ZINC000376819138 282275403 /nfs/dbraw/zinc/27/54/03/282275403.db2.gz PVNHCRSDXINOFM-MSOLQXFVSA-N 2 1 337.508 1.581 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)[C@H]2CCC[C@H]21 ZINC000560583951 306275133 /nfs/dbraw/zinc/27/51/33/306275133.db2.gz DOHNZMNTJPKICX-XUWVNRHRSA-N 2 1 329.510 1.263 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000561193824 306284136 /nfs/dbraw/zinc/28/41/36/306284136.db2.gz KOCMEAYSXLRHRX-KBAYOESNSA-N 2 1 346.475 1.185 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000104222159 219362194 /nfs/dbraw/zinc/36/21/94/219362194.db2.gz BCDOKBHCVWWWLT-OWCLPIDISA-N 2 1 325.497 1.865 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152565202 539820904 /nfs/dbraw/zinc/82/09/04/539820904.db2.gz UCUHHQLAKZZKIE-ZBFHGGJFSA-N 2 1 326.485 1.317 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152565202 539820908 /nfs/dbraw/zinc/82/09/08/539820908.db2.gz UCUHHQLAKZZKIE-ZBFHGGJFSA-N 2 1 326.485 1.317 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000152693823 539826297 /nfs/dbraw/zinc/82/62/97/539826297.db2.gz GJWFPDNQLCWDAN-JYJNAYRXSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000152693823 539826301 /nfs/dbraw/zinc/82/63/01/539826301.db2.gz GJWFPDNQLCWDAN-JYJNAYRXSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000152693823 539826304 /nfs/dbraw/zinc/82/63/04/539826304.db2.gz GJWFPDNQLCWDAN-JYJNAYRXSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000152693823 539826307 /nfs/dbraw/zinc/82/63/07/539826307.db2.gz GJWFPDNQLCWDAN-JYJNAYRXSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@]1(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCCC[NH2+]1 ZINC000180985937 234052674 /nfs/dbraw/zinc/05/26/74/234052674.db2.gz ZIKANWCYJQEZQG-LJQANCHMSA-N 2 1 331.460 1.667 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352886992 539928627 /nfs/dbraw/zinc/92/86/27/539928627.db2.gz IOVQCZGMLKVOCD-FGTMMUONSA-N 2 1 327.513 1.264 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352886992 539928631 /nfs/dbraw/zinc/92/86/31/539928631.db2.gz IOVQCZGMLKVOCD-FGTMMUONSA-N 2 1 327.513 1.264 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000562839297 306310967 /nfs/dbraw/zinc/31/09/67/306310967.db2.gz LGIHTQDPEXLOQM-QWFCFKBJSA-N 2 1 347.503 1.956 20 0 EDADMP COc1ccc([C@H](CN)C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000562839297 306310968 /nfs/dbraw/zinc/31/09/68/306310968.db2.gz LGIHTQDPEXLOQM-QWFCFKBJSA-N 2 1 347.503 1.956 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)c2cccc(N3CCN(C)CC3)n2)c2nccn21 ZINC000562938641 306312998 /nfs/dbraw/zinc/31/29/98/306312998.db2.gz CNLZLLCMEQOLFD-HIFRSBDPSA-N 2 1 340.431 1.466 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000412843203 304040341 /nfs/dbraw/zinc/04/03/41/304040341.db2.gz OTINHUJTBDPPPJ-ROUUACIJSA-N 2 1 330.476 1.186 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000412843203 304040342 /nfs/dbraw/zinc/04/03/42/304040342.db2.gz OTINHUJTBDPPPJ-ROUUACIJSA-N 2 1 330.476 1.186 20 0 EDADMP CCC[NH+]1CCC([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000161651071 540036814 /nfs/dbraw/zinc/03/68/14/540036814.db2.gz ZXYOWWRBZLEDDJ-UHFFFAOYSA-N 2 1 344.503 1.799 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2([NH3+])C[C@H](OCC)C2(C)C)C1 ZINC000188248212 283061433 /nfs/dbraw/zinc/06/14/33/283061433.db2.gz NEDLBZPWSHPEDJ-RLFYNMQTSA-N 2 1 325.497 1.709 20 0 EDADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496156324 283064994 /nfs/dbraw/zinc/06/49/94/283064994.db2.gz SARVJHJFSWIKKJ-QAPCUYQASA-N 2 1 343.512 1.926 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496156324 283064995 /nfs/dbraw/zinc/06/49/95/283064995.db2.gz SARVJHJFSWIKKJ-QAPCUYQASA-N 2 1 343.512 1.926 20 0 EDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496156324 283064996 /nfs/dbraw/zinc/06/49/96/283064996.db2.gz SARVJHJFSWIKKJ-QAPCUYQASA-N 2 1 343.512 1.926 20 0 EDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496156324 283064997 /nfs/dbraw/zinc/06/49/97/283064997.db2.gz SARVJHJFSWIKKJ-QAPCUYQASA-N 2 1 343.512 1.926 20 0 EDADMP CC[C@H](NC(=O)C[NH2+]C(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563450740 306334130 /nfs/dbraw/zinc/33/41/30/306334130.db2.gz HIDRPQVSBHIPCN-ZWKOTPCHSA-N 2 1 333.476 1.780 20 0 EDADMP CC[C@H](NC(=O)C[NH2+]C(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563450740 306334131 /nfs/dbraw/zinc/33/41/31/306334131.db2.gz HIDRPQVSBHIPCN-ZWKOTPCHSA-N 2 1 333.476 1.780 20 0 EDADMP C[C@H](CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[N@@H+](C)C1CC1 ZINC000105267384 138301175 /nfs/dbraw/zinc/30/11/75/138301175.db2.gz SXFAOAGYMJGTRS-OAHLLOKOSA-N 2 1 338.496 1.223 20 0 EDADMP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000093605299 138293945 /nfs/dbraw/zinc/29/39/45/138293945.db2.gz MMOWSWSLDMQLLQ-IAGOWNOFSA-N 2 1 347.507 1.864 20 0 EDADMP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000093605299 138293946 /nfs/dbraw/zinc/29/39/46/138293946.db2.gz MMOWSWSLDMQLLQ-IAGOWNOFSA-N 2 1 347.507 1.864 20 0 EDADMP C[C@@H]1C[C@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@@H+]1C ZINC000093644551 138294073 /nfs/dbraw/zinc/29/40/73/138294073.db2.gz AQCPCBNCHGHXTJ-NVXWUHKLSA-N 2 1 332.496 1.143 20 0 EDADMP C[C@@H]1C[C@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@H+]1C ZINC000093644551 138294074 /nfs/dbraw/zinc/29/40/74/138294074.db2.gz AQCPCBNCHGHXTJ-NVXWUHKLSA-N 2 1 332.496 1.143 20 0 EDADMP O=C(NCC[NH+]1CCCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000131352148 138358072 /nfs/dbraw/zinc/35/80/72/138358072.db2.gz BDPDVFGYDIRLBD-IBGZPJMESA-N 2 1 345.487 1.880 20 0 EDADMP O=C(NCC[NH+]1CCCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000131352148 138358073 /nfs/dbraw/zinc/35/80/73/138358073.db2.gz BDPDVFGYDIRLBD-IBGZPJMESA-N 2 1 345.487 1.880 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[NH+]4C)C2)CC1 ZINC000369849574 283261510 /nfs/dbraw/zinc/26/15/10/283261510.db2.gz AXZDIRLOAOWKRL-JZXOWHBKSA-N 2 1 349.523 1.033 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)CC1 ZINC000369849574 283261514 /nfs/dbraw/zinc/26/15/14/283261514.db2.gz AXZDIRLOAOWKRL-JZXOWHBKSA-N 2 1 349.523 1.033 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC000369849574 283261521 /nfs/dbraw/zinc/26/15/21/283261521.db2.gz AXZDIRLOAOWKRL-JZXOWHBKSA-N 2 1 349.523 1.033 20 0 EDADMP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000369849574 283261524 /nfs/dbraw/zinc/26/15/24/283261524.db2.gz AXZDIRLOAOWKRL-JZXOWHBKSA-N 2 1 349.523 1.033 20 0 EDADMP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000369849574 283261528 /nfs/dbraw/zinc/26/15/28/283261528.db2.gz AXZDIRLOAOWKRL-JZXOWHBKSA-N 2 1 349.523 1.033 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c2C1 ZINC000564212139 306357210 /nfs/dbraw/zinc/35/72/10/306357210.db2.gz XCCYOKYPNWTKDH-QWHCGFSZSA-N 2 1 332.448 1.593 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c2C1 ZINC000564212139 306357211 /nfs/dbraw/zinc/35/72/11/306357211.db2.gz XCCYOKYPNWTKDH-QWHCGFSZSA-N 2 1 332.448 1.593 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000564326354 306358456 /nfs/dbraw/zinc/35/84/56/306358456.db2.gz LCGZTSMAWZMEKB-KZNAEPCWSA-N 2 1 328.460 1.504 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000564847268 306367068 /nfs/dbraw/zinc/36/70/68/306367068.db2.gz LCWZNTMSPWAXSY-OKYOBFRVSA-N 2 1 341.540 1.701 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000564847268 306367069 /nfs/dbraw/zinc/36/70/69/306367069.db2.gz LCWZNTMSPWAXSY-OKYOBFRVSA-N 2 1 341.540 1.701 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000565193486 306377166 /nfs/dbraw/zinc/37/71/66/306377166.db2.gz AEWHGCVRIBLABL-ROUUACIJSA-N 2 1 337.508 1.602 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nn2c(nc(C)cc2=O)s1 ZINC000130556293 223161585 /nfs/dbraw/zinc/16/15/85/223161585.db2.gz HZJPOMPHXYQVLU-UHFFFAOYSA-N 2 1 332.433 1.486 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nn2c(nc(C)cc2=O)s1 ZINC000130556293 223161587 /nfs/dbraw/zinc/16/15/87/223161587.db2.gz HZJPOMPHXYQVLU-UHFFFAOYSA-N 2 1 332.433 1.486 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCOCC2)[C@H]2CCC[C@H]21 ZINC000414176167 304104259 /nfs/dbraw/zinc/10/42/59/304104259.db2.gz HETNHFUHEKYGLA-FGTMMUONSA-N 2 1 337.508 1.330 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)N[C@H]3CC[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000566021512 306397001 /nfs/dbraw/zinc/39/70/01/306397001.db2.gz ZRJBSOJGSYWGCA-WBAXXEDZSA-N 2 1 344.459 1.634 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000414712859 304131680 /nfs/dbraw/zinc/13/16/80/304131680.db2.gz VKZJEIBKDZSUAN-GJZGRUSLSA-N 2 1 346.475 1.724 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414713620 304131689 /nfs/dbraw/zinc/13/16/89/304131689.db2.gz VZBZGUZMHHYQBY-CQSZACIVSA-N 2 1 344.459 1.119 20 0 EDADMP CCOc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000414791860 304141353 /nfs/dbraw/zinc/14/13/53/304141353.db2.gz RBKYRSCRCABWQM-CQSZACIVSA-N 2 1 349.475 1.782 20 0 EDADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C[C@@H](O)C[NH3+] ZINC000415072298 304157206 /nfs/dbraw/zinc/15/72/06/304157206.db2.gz WBTZRNMBOHRFRB-SFHVURJKSA-N 2 1 337.427 1.686 20 0 EDADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C[C@@H](O)C[NH3+] ZINC000415072298 304157209 /nfs/dbraw/zinc/15/72/09/304157209.db2.gz WBTZRNMBOHRFRB-SFHVURJKSA-N 2 1 337.427 1.686 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000415139067 304163412 /nfs/dbraw/zinc/16/34/12/304163412.db2.gz HXXIWCBJRPOGEB-DVOMOZLQSA-N 2 1 330.432 1.340 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000236778935 139031112 /nfs/dbraw/zinc/03/11/12/139031112.db2.gz GBOIZOWTGZTESX-LJQANCHMSA-N 2 1 346.519 1.958 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000237194645 139043571 /nfs/dbraw/zinc/04/35/71/139043571.db2.gz MLQARYKGNTVLNP-HOTGVXAUSA-N 2 1 344.459 1.069 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)c2csc(C[NH3+])n2)c1 ZINC000237203312 139044104 /nfs/dbraw/zinc/04/41/04/139044104.db2.gz SLISJOWFBBITSJ-UHFFFAOYSA-N 2 1 334.445 1.472 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000237215340 139044676 /nfs/dbraw/zinc/04/46/76/139044676.db2.gz AJVXXFKTLVTFOA-GOSISDBHSA-N 2 1 330.476 1.192 20 0 EDADMP COc1ccc([C@@H]2[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)CCC[N@H+]2C)cc1 ZINC000237305156 139047367 /nfs/dbraw/zinc/04/73/67/139047367.db2.gz GHFXQTWIFPDMBI-RYQLBKOJSA-N 2 1 331.460 1.946 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)C3([NH3+])CCCC3)CC2)nc(C)[nH+]1 ZINC000237287611 139046496 /nfs/dbraw/zinc/04/64/96/139046496.db2.gz ISZZMQCUVZIGNE-UHFFFAOYSA-N 2 1 331.464 1.792 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)[C@H]3CCCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000237289506 139046774 /nfs/dbraw/zinc/04/67/74/139046774.db2.gz KSVHOQRXJHRFPO-MRXNPFEDSA-N 2 1 331.464 1.663 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000237605136 139055384 /nfs/dbraw/zinc/05/53/84/139055384.db2.gz JRKNGZRJVYDUEU-IYBDPMFKSA-N 2 1 337.508 1.724 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000111819008 220198150 /nfs/dbraw/zinc/19/81/50/220198150.db2.gz BIEWNOXUFNMPKQ-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000111856796 220210371 /nfs/dbraw/zinc/21/03/71/220210371.db2.gz UTFHJPQOJCYHFU-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245438106 139074588 /nfs/dbraw/zinc/07/45/88/139074588.db2.gz XMGCHXNFXLZVEX-HOTGVXAUSA-N 2 1 328.501 1.517 20 0 EDADMP CO[C@H](C)c1noc(CN2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000245636458 139081554 /nfs/dbraw/zinc/08/15/54/139081554.db2.gz RNHRQGQGVIYABU-HUUCEWRRSA-N 2 1 337.468 1.379 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000246426122 139107935 /nfs/dbraw/zinc/10/79/35/139107935.db2.gz AUWUSACXYIHERJ-RHSMWYFYSA-N 2 1 328.501 1.109 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)[C@@H](C)C1 ZINC000246575792 139113596 /nfs/dbraw/zinc/11/35/96/139113596.db2.gz YHGLLEYRHSJRDA-DOTOQJQBSA-N 2 1 325.497 1.772 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)[C@@H](C)C1 ZINC000246575792 139113597 /nfs/dbraw/zinc/11/35/97/139113597.db2.gz YHGLLEYRHSJRDA-DOTOQJQBSA-N 2 1 325.497 1.772 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000246656731 139116580 /nfs/dbraw/zinc/11/65/80/139116580.db2.gz UDQHKTZUWKCKNN-NVXWUHKLSA-N 2 1 328.501 1.253 20 0 EDADMP O[C@H](COC1CCOCC1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246802811 139122207 /nfs/dbraw/zinc/12/22/07/139122207.db2.gz MWTVKQCFBUEGPR-VDZJLULYSA-N 2 1 338.492 1.492 20 0 EDADMP O[C@H](COC1CCOCC1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246802811 139122208 /nfs/dbraw/zinc/12/22/08/139122208.db2.gz MWTVKQCFBUEGPR-VDZJLULYSA-N 2 1 338.492 1.492 20 0 EDADMP O[C@H](COC1CCOCC1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246802811 139122209 /nfs/dbraw/zinc/12/22/09/139122209.db2.gz MWTVKQCFBUEGPR-VDZJLULYSA-N 2 1 338.492 1.492 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000246884902 139125563 /nfs/dbraw/zinc/12/55/63/139125563.db2.gz GHELCAMLYIRIGX-NPYXIHBLSA-N 2 1 338.496 1.412 20 0 EDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000246981002 139129559 /nfs/dbraw/zinc/12/95/59/139129559.db2.gz JQSNTNKAOARJIK-ZIAGYGMSSA-N 2 1 325.478 1.587 20 0 EDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000246981002 139129560 /nfs/dbraw/zinc/12/95/60/139129560.db2.gz JQSNTNKAOARJIK-ZIAGYGMSSA-N 2 1 325.478 1.587 20 0 EDADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c1)C1CC1 ZINC000415349798 304200815 /nfs/dbraw/zinc/20/08/15/304200815.db2.gz DRMWERPCIWSISQ-HNNXBMFYSA-N 2 1 344.459 1.069 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1CCOC1 ZINC000247136321 139137144 /nfs/dbraw/zinc/13/71/44/139137144.db2.gz AWHPUKFOJFCJOO-KFKAGJAMSA-N 2 1 345.487 1.899 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000247505896 139150773 /nfs/dbraw/zinc/15/07/73/139150773.db2.gz ONPVKBZVDLDDML-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000247505896 139150774 /nfs/dbraw/zinc/15/07/74/139150774.db2.gz ONPVKBZVDLDDML-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000247505896 139150775 /nfs/dbraw/zinc/15/07/75/139150775.db2.gz ONPVKBZVDLDDML-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CC(C)[C@H](C(=O)NCCC[NH+](C)C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248236792 139159780 /nfs/dbraw/zinc/15/97/80/139159780.db2.gz MWOWVSOWARINEK-IXDOHACOSA-N 2 1 327.513 1.967 20 0 EDADMP CC(C)[C@H](C(=O)NCCC[NH+](C)C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248236792 139159781 /nfs/dbraw/zinc/15/97/81/139159781.db2.gz MWOWVSOWARINEK-IXDOHACOSA-N 2 1 327.513 1.967 20 0 EDADMP CC(C)[C@H](C(=O)NCCC[N@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248236792 139159782 /nfs/dbraw/zinc/15/97/82/139159782.db2.gz MWOWVSOWARINEK-IXDOHACOSA-N 2 1 327.513 1.967 20 0 EDADMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248236792 139159783 /nfs/dbraw/zinc/15/97/83/139159783.db2.gz MWOWVSOWARINEK-IXDOHACOSA-N 2 1 327.513 1.967 20 0 EDADMP C[C@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCO ZINC000249476989 139193958 /nfs/dbraw/zinc/19/39/58/139193958.db2.gz ABPRFCOVEBDBLR-HKUYNNGSSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCO ZINC000249476989 139193959 /nfs/dbraw/zinc/19/39/59/139193959.db2.gz ABPRFCOVEBDBLR-HKUYNNGSSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000249476989 139193960 /nfs/dbraw/zinc/19/39/60/139193960.db2.gz ABPRFCOVEBDBLR-HKUYNNGSSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000249476989 139193961 /nfs/dbraw/zinc/19/39/61/139193961.db2.gz ABPRFCOVEBDBLR-HKUYNNGSSA-N 2 1 345.487 1.424 20 0 EDADMP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261602603 139209989 /nfs/dbraw/zinc/20/99/89/139209989.db2.gz BSBDUUMTERIULI-HNNXBMFYSA-N 2 1 332.448 1.029 20 0 EDADMP Cc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261602603 139209990 /nfs/dbraw/zinc/20/99/90/139209990.db2.gz BSBDUUMTERIULI-HNNXBMFYSA-N 2 1 332.448 1.029 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000261608449 139210427 /nfs/dbraw/zinc/21/04/27/139210427.db2.gz AXDGQTNFTQRPPJ-LRDDRELGSA-N 2 1 337.489 1.365 20 0 EDADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)CCC2 ZINC000261725558 139220809 /nfs/dbraw/zinc/22/08/09/139220809.db2.gz RCXSCDOJOPYDHU-GOSISDBHSA-N 2 1 328.460 1.093 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)CCC2 ZINC000261725558 139220810 /nfs/dbraw/zinc/22/08/10/139220810.db2.gz RCXSCDOJOPYDHU-GOSISDBHSA-N 2 1 328.460 1.093 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c2ccccc2n1 ZINC000261716871 139220049 /nfs/dbraw/zinc/22/00/49/139220049.db2.gz QGTNVLSVYKZAFH-HNNXBMFYSA-N 2 1 326.444 1.830 20 0 EDADMP [NH3+][C@@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000261829840 139229746 /nfs/dbraw/zinc/22/97/46/139229746.db2.gz IEFIKZLVRJOHFZ-GOSISDBHSA-N 2 1 331.460 1.305 20 0 EDADMP [NH3+][C@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000261831633 139229954 /nfs/dbraw/zinc/22/99/54/139229954.db2.gz QAMRBLQDVDGYBH-OALUTQOASA-N 2 1 345.487 1.911 20 0 EDADMP COC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261915586 139236641 /nfs/dbraw/zinc/23/66/41/139236641.db2.gz JNWZEWLJOSRCSA-KZNAEPCWSA-N 2 1 348.443 1.485 20 0 EDADMP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)C2CC2)cc1 ZINC000261917020 139236721 /nfs/dbraw/zinc/23/67/21/139236721.db2.gz YGGYMCULMZSASU-LJQANCHMSA-N 2 1 331.460 1.857 20 0 EDADMP COc1ccc(CN(C(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)C2CC2)cc1 ZINC000261917020 139236722 /nfs/dbraw/zinc/23/67/22/139236722.db2.gz YGGYMCULMZSASU-LJQANCHMSA-N 2 1 331.460 1.857 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000413816785 250822838 /nfs/dbraw/zinc/82/28/38/250822838.db2.gz JWXZOPSEUKBRMY-OAHLLOKOSA-N 2 1 334.464 1.980 20 0 EDADMP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000261971079 139240837 /nfs/dbraw/zinc/24/08/37/139240837.db2.gz YZPRNHWWZORXJD-OAHLLOKOSA-N 2 1 336.867 1.566 20 0 EDADMP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000261971079 139240838 /nfs/dbraw/zinc/24/08/38/139240838.db2.gz YZPRNHWWZORXJD-OAHLLOKOSA-N 2 1 336.867 1.566 20 0 EDADMP O=C(CC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)N1CC[NH2+]CC1 ZINC000262009790 139243715 /nfs/dbraw/zinc/24/37/15/139243715.db2.gz FJDZZFHWTVBZEY-GOSISDBHSA-N 2 1 349.450 1.629 20 0 EDADMP C[N@@H+](CCOc1cccc(Cl)c1)CCC(=O)N1CC[NH2+]CC1 ZINC000262122509 139252748 /nfs/dbraw/zinc/25/27/48/139252748.db2.gz NJOYIEJORFNPOF-UHFFFAOYSA-N 2 1 325.840 1.473 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)c1 ZINC000416014252 251046703 /nfs/dbraw/zinc/04/67/03/251046703.db2.gz VDKMNYRAVIFTBZ-GFCCVEGCSA-N 2 1 345.369 1.501 20 0 EDADMP O=C(CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000262230717 139261998 /nfs/dbraw/zinc/26/19/98/139261998.db2.gz VJLQYRDAWOOGGO-MRXNPFEDSA-N 2 1 344.459 1.159 20 0 EDADMP Cc1cc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)ccc1OCC[NH+]1CCCC1 ZINC000262233352 139262259 /nfs/dbraw/zinc/26/22/59/139262259.db2.gz KKOOTELANFIBQY-QAPCUYQASA-N 2 1 347.459 1.785 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)CCCO1 ZINC000416010779 251046021 /nfs/dbraw/zinc/04/60/21/251046021.db2.gz ORDCHMVNVUBMJU-AWEZNQCLSA-N 2 1 332.448 1.912 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(F)(F)F ZINC000416011802 251046135 /nfs/dbraw/zinc/04/61/35/251046135.db2.gz SAJNLMFQGAGVGC-CHWSQXEVSA-N 2 1 336.402 1.830 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)[NH+](C)C ZINC000416831658 251112522 /nfs/dbraw/zinc/11/25/22/251112522.db2.gz HSVKDGHGGZWWCS-MRXNPFEDSA-N 2 1 334.464 1.691 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NCC1(C)CC[NH2+]CC1)[NH+](C)C ZINC000416831173 251113067 /nfs/dbraw/zinc/11/30/67/251113067.db2.gz HMANENGMRDUZLN-INIZCTEOSA-N 2 1 348.491 1.987 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417270719 251152283 /nfs/dbraw/zinc/15/22/83/251152283.db2.gz NPJNEAYJEZRFDA-QGZVFWFLSA-N 2 1 334.489 1.501 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417270719 251152288 /nfs/dbraw/zinc/15/22/88/251152288.db2.gz NPJNEAYJEZRFDA-QGZVFWFLSA-N 2 1 334.489 1.501 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417573699 251191905 /nfs/dbraw/zinc/19/19/05/251191905.db2.gz XPIIASUQSRYBMT-YOEHRIQHSA-N 2 1 334.464 1.616 20 0 EDADMP COCC1(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000262383868 139274954 /nfs/dbraw/zinc/27/49/54/139274954.db2.gz OKAJFBXNSRPUMU-INIZCTEOSA-N 2 1 345.487 1.566 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000417566771 251190116 /nfs/dbraw/zinc/19/01/16/251190116.db2.gz MZHCIRLFJUSOTD-GJZGRUSLSA-N 2 1 326.485 1.175 20 0 EDADMP COCC1(C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]CC1 ZINC000262433605 139278669 /nfs/dbraw/zinc/27/86/69/139278669.db2.gz WVRAHGCMOAJVFE-UHFFFAOYSA-N 2 1 345.487 1.390 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH2+]C)C2)[C@@H](C)C1 ZINC000417672328 251223190 /nfs/dbraw/zinc/22/31/90/251223190.db2.gz SNVTZDJLMTWSOO-JYJNAYRXSA-N 2 1 326.485 1.127 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)[nH+]c1 ZINC000417733735 251248403 /nfs/dbraw/zinc/24/84/03/251248403.db2.gz QQULUZLOTVMTED-GOEBONIOSA-N 2 1 331.464 1.785 20 0 EDADMP C[C@@H](C[NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000262447515 139279716 /nfs/dbraw/zinc/27/97/16/139279716.db2.gz VLRCAAZSACUAEH-AWEZNQCLSA-N 2 1 330.432 1.507 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000417752078 251255504 /nfs/dbraw/zinc/25/55/04/251255504.db2.gz LVHCHSJCJLGURI-QGZVFWFLSA-N 2 1 334.464 1.141 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417825768 251287184 /nfs/dbraw/zinc/28/71/84/251287184.db2.gz NMCWUKIECBIEQT-OLMNPRSZSA-N 2 1 330.476 1.934 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000417791916 251270868 /nfs/dbraw/zinc/27/08/68/251270868.db2.gz JWTOWKDSOSHDPP-NVXWUHKLSA-N 2 1 326.460 1.594 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000417791916 251270871 /nfs/dbraw/zinc/27/08/71/251270871.db2.gz JWTOWKDSOSHDPP-NVXWUHKLSA-N 2 1 326.460 1.594 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418077828 251320287 /nfs/dbraw/zinc/32/02/87/251320287.db2.gz UUPRWVODMCOXBX-IRXDYDNUSA-N 2 1 334.464 1.314 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418106376 251322246 /nfs/dbraw/zinc/32/22/46/251322246.db2.gz MZQODAOQUZRBFE-KBAYOESNSA-N 2 1 330.476 1.887 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NCC2([NH3+])CCCCC2)CCCO1 ZINC000418112213 251327153 /nfs/dbraw/zinc/32/71/53/251327153.db2.gz IADUGTFBVKZCPC-HNNXBMFYSA-N 2 1 326.485 1.448 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000418138613 251341660 /nfs/dbraw/zinc/34/16/60/251341660.db2.gz JJKJTJURKLUGGE-QZTJIDSGSA-N 2 1 330.476 1.934 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000418152973 251345973 /nfs/dbraw/zinc/34/59/73/251345973.db2.gz UKRMDKZBAIIVGY-ZWKOTPCHSA-N 2 1 346.475 1.266 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc(N2CCCC2)[nH+]1 ZINC000418195895 251353558 /nfs/dbraw/zinc/35/35/58/251353558.db2.gz GTXMIHKBUJQTTB-HZPDHXFCSA-N 2 1 331.464 1.917 20 0 EDADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000418319379 251360351 /nfs/dbraw/zinc/36/03/51/251360351.db2.gz AUOBFPWLWPNKER-QAPCUYQASA-N 2 1 348.491 1.518 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418715007 251393968 /nfs/dbraw/zinc/39/39/68/251393968.db2.gz QQSUUYIYFDHLNM-CYBMUJFWSA-N 2 1 332.395 1.725 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000418677268 251384098 /nfs/dbraw/zinc/38/40/98/251384098.db2.gz UPRFMYFFVKWVPY-FVQHAEBGSA-N 2 1 332.423 1.261 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000418677268 251384103 /nfs/dbraw/zinc/38/41/03/251384103.db2.gz UPRFMYFFVKWVPY-FVQHAEBGSA-N 2 1 332.423 1.261 20 0 EDADMP C[C@@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000262712409 139298157 /nfs/dbraw/zinc/29/81/57/139298157.db2.gz FSTCUJIBWOBABH-PMPSAXMXSA-N 2 1 333.480 1.658 20 0 EDADMP C[C@H]([NH3+])CCC(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000262794559 139304041 /nfs/dbraw/zinc/30/40/41/139304041.db2.gz NHHFDBCODKAWLH-HNNXBMFYSA-N 2 1 334.464 1.379 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000262809936 139305323 /nfs/dbraw/zinc/30/53/23/139305323.db2.gz UCCWGFRTVRENCI-HQSKLWIPSA-N 2 1 331.460 1.662 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)O1 ZINC000423737148 252068267 /nfs/dbraw/zinc/06/82/67/252068267.db2.gz CQXFANMHQGWMRC-MOPGFXCFSA-N 2 1 345.487 1.660 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000424005142 252111915 /nfs/dbraw/zinc/11/19/15/252111915.db2.gz CBBLRJDXWZKOGY-JZXOWHBKSA-N 2 1 343.402 1.787 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@@H]1C ZINC000424137936 252138465 /nfs/dbraw/zinc/13/84/65/252138465.db2.gz COLMTKYJBJOWPM-SOUVJXGZSA-N 2 1 334.468 1.147 20 0 EDADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000424278910 252189896 /nfs/dbraw/zinc/18/98/96/252189896.db2.gz FUIMHTOJLRZZMV-CMPLNLGQSA-N 2 1 333.404 1.229 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000424440285 252231674 /nfs/dbraw/zinc/23/16/74/252231674.db2.gz UFUUZNRHWCGDKX-HNNXBMFYSA-N 2 1 347.463 1.163 20 0 EDADMP COC1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]CC1 ZINC000166380549 532972121 /nfs/dbraw/zinc/97/21/21/532972121.db2.gz LOISEVOQKJMAQQ-GOSISDBHSA-N 2 1 345.487 1.436 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000370958133 285019755 /nfs/dbraw/zinc/01/97/55/285019755.db2.gz ZLLGTTPCUYVHCR-GOSISDBHSA-N 2 1 345.487 1.313 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)ccn2)CC1 ZINC000112284508 220286677 /nfs/dbraw/zinc/28/66/77/220286677.db2.gz GAJAFMNOEQPOQX-QGZVFWFLSA-N 2 1 343.475 1.144 20 0 EDADMP C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000112512017 220341101 /nfs/dbraw/zinc/34/11/01/220341101.db2.gz VPLQHAFEYRZJLV-OAHLLOKOSA-N 2 1 334.464 1.201 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000363558065 296389510 /nfs/dbraw/zinc/38/95/10/296389510.db2.gz ORAAMDWQNYIUDH-XMTFNYHQSA-N 2 1 334.508 1.844 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000363558065 296389512 /nfs/dbraw/zinc/38/95/12/296389512.db2.gz ORAAMDWQNYIUDH-XMTFNYHQSA-N 2 1 334.508 1.844 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000363558065 296389513 /nfs/dbraw/zinc/38/95/13/296389513.db2.gz ORAAMDWQNYIUDH-XMTFNYHQSA-N 2 1 334.508 1.844 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000248796956 285205144 /nfs/dbraw/zinc/20/51/44/285205144.db2.gz YVDFMPPDWYDYMD-SJORKVTESA-N 2 1 339.528 1.186 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000248796956 285205145 /nfs/dbraw/zinc/20/51/45/285205145.db2.gz YVDFMPPDWYDYMD-SJORKVTESA-N 2 1 339.528 1.186 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000248796956 285205147 /nfs/dbraw/zinc/20/51/47/285205147.db2.gz YVDFMPPDWYDYMD-SJORKVTESA-N 2 1 339.528 1.186 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnc(C)n1 ZINC000362049475 285246293 /nfs/dbraw/zinc/24/62/93/285246293.db2.gz WDADPNREBYUBAA-OAHLLOKOSA-N 2 1 334.468 1.665 20 0 EDADMP CC[C@@]1(O)CC[N@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000495262342 255276156 /nfs/dbraw/zinc/27/61/56/255276156.db2.gz PIPCAXRDHJZMSU-FXAWDEMLSA-N 2 1 345.487 1.739 20 0 EDADMP CC[C@@]1(O)CC[N@@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000495262342 255276157 /nfs/dbraw/zinc/27/61/57/255276157.db2.gz PIPCAXRDHJZMSU-FXAWDEMLSA-N 2 1 345.487 1.739 20 0 EDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496348128 255384538 /nfs/dbraw/zinc/38/45/38/255384538.db2.gz QFUNVQNBZXBMPI-LSDHHAIUSA-N 2 1 329.485 1.536 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496348128 255384539 /nfs/dbraw/zinc/38/45/39/255384539.db2.gz QFUNVQNBZXBMPI-LSDHHAIUSA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496348128 255384540 /nfs/dbraw/zinc/38/45/40/255384540.db2.gz QFUNVQNBZXBMPI-LSDHHAIUSA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496348128 255384541 /nfs/dbraw/zinc/38/45/41/255384541.db2.gz QFUNVQNBZXBMPI-LSDHHAIUSA-N 2 1 329.485 1.536 20 0 EDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H](C)[NH3+] ZINC000415799233 304273977 /nfs/dbraw/zinc/27/39/77/304273977.db2.gz DAUNGVYRQNVBOK-QLFBSQMISA-N 2 1 346.475 1.709 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CSC1(C)C ZINC000338807711 285278393 /nfs/dbraw/zinc/27/83/93/285278393.db2.gz BPNLUNBYUSGJEP-LSDHHAIUSA-N 2 1 342.553 1.938 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000270848701 140182357 /nfs/dbraw/zinc/18/23/57/140182357.db2.gz LPBBEMBSUMOUOY-OKZBNKHCSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000270848701 140182358 /nfs/dbraw/zinc/18/23/58/140182358.db2.gz LPBBEMBSUMOUOY-OKZBNKHCSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000270848701 140182359 /nfs/dbraw/zinc/18/23/59/140182359.db2.gz LPBBEMBSUMOUOY-OKZBNKHCSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1[NH+](C)C ZINC000271431190 140295209 /nfs/dbraw/zinc/29/52/09/140295209.db2.gz AAFZPMYPFYKQRV-IEBWSBKVSA-N 2 1 344.503 1.213 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271786511 140349754 /nfs/dbraw/zinc/34/97/54/140349754.db2.gz WCEAHSVHIKDYOB-OLZOCXBDSA-N 2 1 336.461 1.826 20 0 EDADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1C ZINC000331657191 141063249 /nfs/dbraw/zinc/06/32/49/141063249.db2.gz MHOBKUCJSUSTEP-RDJZCZTQSA-N 2 1 335.448 1.279 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H](C)O1 ZINC000333154804 141273164 /nfs/dbraw/zinc/27/31/64/141273164.db2.gz FOLDGUVFQPUWQM-KBUPBQIOSA-N 2 1 326.485 1.314 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)C1 ZINC000333260482 141288986 /nfs/dbraw/zinc/28/89/86/141288986.db2.gz DUISDPICGNUIGM-KBPBESRZSA-N 2 1 332.448 1.251 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC[N@H+]1C ZINC000333387123 141309994 /nfs/dbraw/zinc/30/99/94/141309994.db2.gz WXYUTMXNRVTANK-IVMMDQJWSA-N 2 1 331.464 1.844 20 0 EDADMP C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000333701020 141361282 /nfs/dbraw/zinc/36/12/82/141361282.db2.gz QUYTXKNXMLGDET-PMPSAXMXSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000339618202 142096256 /nfs/dbraw/zinc/09/62/56/142096256.db2.gz TUKBYMPUTDRBPZ-PVAVHDDUSA-N 2 1 346.475 1.004 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000339753756 142145672 /nfs/dbraw/zinc/14/56/72/142145672.db2.gz NVGXWWIDOWVHGZ-MRXNPFEDSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000345516936 143100851 /nfs/dbraw/zinc/10/08/51/143100851.db2.gz AYHIDSJBPDDLIZ-INIZCTEOSA-N 2 1 347.507 1.684 20 0 EDADMP C[C@H](CCNC(=O)NCC[NH+]1CCSCC1)[NH+]1CCCCC1 ZINC000345561842 143106049 /nfs/dbraw/zinc/10/60/49/143106049.db2.gz KYWQVUIMCGJWCD-OAHLLOKOSA-N 2 1 328.526 1.599 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+](C(C)C)CC2)[N@@H+](C)C1 ZINC000345859656 143140454 /nfs/dbraw/zinc/14/04/54/143140454.db2.gz DNQKYAZUSSGHJL-JKSUJKDBSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1C ZINC000346366778 143197243 /nfs/dbraw/zinc/19/72/43/143197243.db2.gz HWVAMTDHJVMBTO-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1C ZINC000346366778 143197244 /nfs/dbraw/zinc/19/72/44/143197244.db2.gz HWVAMTDHJVMBTO-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000346366778 143197245 /nfs/dbraw/zinc/19/72/45/143197245.db2.gz HWVAMTDHJVMBTO-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000346366778 143197246 /nfs/dbraw/zinc/19/72/46/143197246.db2.gz HWVAMTDHJVMBTO-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000346378136 143198426 /nfs/dbraw/zinc/19/84/26/143198426.db2.gz KUQGLPCWLXTOMB-IEBWSBKVSA-N 2 1 349.519 1.964 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000346816269 143248370 /nfs/dbraw/zinc/24/83/70/143248370.db2.gz CZZDNNUIRGSMDT-QXAKKESOSA-N 3 1 328.504 1.998 20 0 EDADMP c1c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)nnn1Cc1cccnc1 ZINC000347031604 143273996 /nfs/dbraw/zinc/27/39/96/143273996.db2.gz AFRNPYQZMQXBMP-SFHVURJKSA-N 2 1 326.448 1.685 20 0 EDADMP COCCOc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)OCO2 ZINC000347037897 143275047 /nfs/dbraw/zinc/27/50/47/143275047.db2.gz GDARNVAUKPZWQO-KGLIPLIRSA-N 2 1 336.432 2.000 20 0 EDADMP COCCOc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)OCO2 ZINC000347037897 143275048 /nfs/dbraw/zinc/27/50/48/143275048.db2.gz GDARNVAUKPZWQO-KGLIPLIRSA-N 2 1 336.432 2.000 20 0 EDADMP C[C@H]1CCc2nc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)sc2C1 ZINC000347111486 143284006 /nfs/dbraw/zinc/28/40/06/143284006.db2.gz QOJYSBLETRNJRA-QWHCGFSZSA-N 2 1 336.505 1.555 20 0 EDADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000347179185 143291602 /nfs/dbraw/zinc/29/16/02/143291602.db2.gz SYFAUDWLZZESHZ-QGZVFWFLSA-N 2 1 344.459 1.289 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000348000603 143389775 /nfs/dbraw/zinc/38/97/75/143389775.db2.gz XSDVMSXLAPEZEZ-IAGOWNOFSA-N 2 1 334.508 1.844 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000348000603 143389776 /nfs/dbraw/zinc/38/97/76/143389776.db2.gz XSDVMSXLAPEZEZ-IAGOWNOFSA-N 2 1 334.508 1.844 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000348000603 143389777 /nfs/dbraw/zinc/38/97/77/143389777.db2.gz XSDVMSXLAPEZEZ-IAGOWNOFSA-N 2 1 334.508 1.844 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NCCC[NH2+]C1CC1)[NH+](C)C ZINC000416843896 304351089 /nfs/dbraw/zinc/35/10/89/304351089.db2.gz PROBGDFCUHJLJW-INIZCTEOSA-N 2 1 334.464 1.739 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000417666493 286060665 /nfs/dbraw/zinc/06/06/65/286060665.db2.gz CXSHVESZJKBTPR-XHSDSOJGSA-N 2 1 326.485 1.256 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000337080974 286069568 /nfs/dbraw/zinc/06/95/68/286069568.db2.gz WBWQGIUMXMILFU-JQHSSLGASA-N 2 1 333.476 1.592 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000337080974 286069569 /nfs/dbraw/zinc/06/95/69/286069569.db2.gz WBWQGIUMXMILFU-JQHSSLGASA-N 2 1 333.476 1.592 20 0 EDADMP Cc1ccc2nc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)cc(=O)n2c1 ZINC000352768941 149157253 /nfs/dbraw/zinc/15/72/53/149157253.db2.gz KUDMXAYHRXQZGC-UHFFFAOYSA-N 2 1 343.475 1.072 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[NH2+]Cc2ccn(C)c2)cc[nH+]1 ZINC000352899288 149208059 /nfs/dbraw/zinc/20/80/59/149208059.db2.gz QJVBWYWQWQGUJD-LSDHHAIUSA-N 2 1 332.427 1.588 20 0 EDADMP CC[N@@H+](CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C(C)C ZINC000353097786 149284470 /nfs/dbraw/zinc/28/44/70/149284470.db2.gz OKBWKASXASCIJJ-UHFFFAOYSA-N 2 1 341.544 1.432 20 0 EDADMP CC[N@H+](CCNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)C(C)C ZINC000353097786 149284474 /nfs/dbraw/zinc/28/44/74/149284474.db2.gz OKBWKASXASCIJJ-UHFFFAOYSA-N 2 1 341.544 1.432 20 0 EDADMP CC[N@@H+](CCNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)C(C)C ZINC000353097786 149284476 /nfs/dbraw/zinc/28/44/76/149284476.db2.gz OKBWKASXASCIJJ-UHFFFAOYSA-N 2 1 341.544 1.432 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000353248573 149339218 /nfs/dbraw/zinc/33/92/18/149339218.db2.gz BHPDRHVXMFDOEG-LPHOPBHVSA-N 2 1 343.475 1.628 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000353248573 149339223 /nfs/dbraw/zinc/33/92/23/149339223.db2.gz BHPDRHVXMFDOEG-LPHOPBHVSA-N 2 1 343.475 1.628 20 0 EDADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC(F)(F)C[NH3+] ZINC000416975700 304359471 /nfs/dbraw/zinc/35/94/71/304359471.db2.gz ZNNLGMHSEZZYJK-UHFFFAOYSA-N 2 1 328.407 1.920 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC(F)(F)C[NH3+] ZINC000416975700 304359472 /nfs/dbraw/zinc/35/94/72/304359472.db2.gz ZNNLGMHSEZZYJK-UHFFFAOYSA-N 2 1 328.407 1.920 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000355058264 150096071 /nfs/dbraw/zinc/09/60/71/150096071.db2.gz KSVCCDNPMCBVGU-DLBZAZTESA-N 2 1 346.475 1.864 20 0 EDADMP Cc1[nH]nc2ncc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc12 ZINC000355215335 150168089 /nfs/dbraw/zinc/16/80/89/150168089.db2.gz CLIHQSIAJSXEJP-HYVNUMGLSA-N 2 1 329.448 1.950 20 0 EDADMP Cc1[nH]nc2ncc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc12 ZINC000355215335 150168091 /nfs/dbraw/zinc/16/80/91/150168091.db2.gz CLIHQSIAJSXEJP-HYVNUMGLSA-N 2 1 329.448 1.950 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417032045 304362927 /nfs/dbraw/zinc/36/29/27/304362927.db2.gz BTRIMFGYKZVYHE-QAPCUYQASA-N 2 1 345.491 1.234 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)Nc1ccccc1C[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000355712503 150369989 /nfs/dbraw/zinc/36/99/89/150369989.db2.gz WLLCMCWVRYMYDD-MRXNPFEDSA-N 2 1 346.475 1.663 20 0 EDADMP CC(C)[NH+](C)CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000355712503 150369993 /nfs/dbraw/zinc/36/99/93/150369993.db2.gz WLLCMCWVRYMYDD-MRXNPFEDSA-N 2 1 346.475 1.663 20 0 EDADMP CC(C)[NH+](C)CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000355712503 150369997 /nfs/dbraw/zinc/36/99/97/150369997.db2.gz WLLCMCWVRYMYDD-MRXNPFEDSA-N 2 1 346.475 1.663 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@@H](C)O1 ZINC000357491157 151046616 /nfs/dbraw/zinc/04/66/16/151046616.db2.gz RRKLZISFSQSSPF-BRWVUGGUSA-N 2 1 325.497 1.819 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)CC[C@H]2CCCC[N@H+]2C)C[C@@H](C)O1 ZINC000357491157 151046619 /nfs/dbraw/zinc/04/66/19/151046619.db2.gz RRKLZISFSQSSPF-BRWVUGGUSA-N 2 1 325.497 1.819 20 0 EDADMP CSC1(CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC[NH+](C)CC1 ZINC000357873531 151180075 /nfs/dbraw/zinc/18/00/75/151180075.db2.gz VAMMACGXDOZSPF-ZFWWWQNUSA-N 2 1 340.537 1.596 20 0 EDADMP C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1=CC[N@@H+](C)CC1 ZINC000357917703 151195422 /nfs/dbraw/zinc/19/54/22/151195422.db2.gz JYVWAJRUHPOFQJ-HNNXBMFYSA-N 2 1 343.475 1.214 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc(CN[C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358079276 151262890 /nfs/dbraw/zinc/26/28/90/151262890.db2.gz DMQYYLWKWJWNSP-PBHICJAKSA-N 2 1 339.505 1.757 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000358085478 151265251 /nfs/dbraw/zinc/26/52/51/151265251.db2.gz MXEXRJFWFVAQJM-XJKCOSOUSA-N 2 1 325.478 1.876 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000358085478 151265252 /nfs/dbraw/zinc/26/52/52/151265252.db2.gz MXEXRJFWFVAQJM-XJKCOSOUSA-N 2 1 325.478 1.876 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000358149357 151288215 /nfs/dbraw/zinc/28/82/15/151288215.db2.gz ZAKWGBPDGASTMS-HZPDHXFCSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000358149357 151288217 /nfs/dbraw/zinc/28/82/17/151288217.db2.gz ZAKWGBPDGASTMS-HZPDHXFCSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000358149357 151288218 /nfs/dbraw/zinc/28/82/18/151288218.db2.gz ZAKWGBPDGASTMS-HZPDHXFCSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000358286418 151326831 /nfs/dbraw/zinc/32/68/31/151326831.db2.gz AWHMHJJCQZNTKK-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000358286418 151326833 /nfs/dbraw/zinc/32/68/33/151326833.db2.gz AWHMHJJCQZNTKK-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000358288485 151327673 /nfs/dbraw/zinc/32/76/73/151327673.db2.gz FFXUHSFJADWDRG-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000358288485 151327676 /nfs/dbraw/zinc/32/76/76/151327676.db2.gz FFXUHSFJADWDRG-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000358288485 151327679 /nfs/dbraw/zinc/32/76/79/151327679.db2.gz FFXUHSFJADWDRG-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H]1CN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000417085197 304371737 /nfs/dbraw/zinc/37/17/37/304371737.db2.gz BQZXHYNYGSTJSQ-HNNXBMFYSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000417107430 304372779 /nfs/dbraw/zinc/37/27/79/304372779.db2.gz ISMNUXJKQWHBRA-RDBSUJKOSA-N 2 1 336.505 1.873 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000417107430 304372780 /nfs/dbraw/zinc/37/27/80/304372780.db2.gz ISMNUXJKQWHBRA-RDBSUJKOSA-N 2 1 336.505 1.873 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000417116959 304374235 /nfs/dbraw/zinc/37/42/35/304374235.db2.gz REGYJZOPFARTGH-RKVPGOIHSA-N 2 1 348.491 1.832 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000417120464 304374778 /nfs/dbraw/zinc/37/47/78/304374778.db2.gz VHUFEPALTWRUBW-KBPBESRZSA-N 2 1 336.505 1.746 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000417120464 304374781 /nfs/dbraw/zinc/37/47/81/304374781.db2.gz VHUFEPALTWRUBW-KBPBESRZSA-N 2 1 336.505 1.746 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CCCO1 ZINC000370105281 155325298 /nfs/dbraw/zinc/32/52/98/155325298.db2.gz MQRLETTWMGWNAV-MJGOQNOKSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CCCO1 ZINC000370105281 155325301 /nfs/dbraw/zinc/32/53/01/155325301.db2.gz MQRLETTWMGWNAV-MJGOQNOKSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CCCO1 ZINC000370105281 155325302 /nfs/dbraw/zinc/32/53/02/155325302.db2.gz MQRLETTWMGWNAV-MJGOQNOKSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CCCO1 ZINC000370105281 155325304 /nfs/dbraw/zinc/32/53/04/155325304.db2.gz MQRLETTWMGWNAV-MJGOQNOKSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCSC1 ZINC000360670661 152146509 /nfs/dbraw/zinc/14/65/09/152146509.db2.gz YLMAOGXBNQYCLE-WMLDXEAASA-N 2 1 340.537 1.740 20 0 EDADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000360678075 152149681 /nfs/dbraw/zinc/14/96/81/152149681.db2.gz BUPBXLJRVXAIJT-MOPGFXCFSA-N 2 1 343.471 1.211 20 0 EDADMP CSC1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)CC[NH+](C)CC1 ZINC000360688293 152153535 /nfs/dbraw/zinc/15/35/35/152153535.db2.gz CLMWJNVNTKMUBH-HNNXBMFYSA-N 2 1 342.553 1.795 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000360893885 152244021 /nfs/dbraw/zinc/24/40/21/152244021.db2.gz PIURCPBYQKRKKO-HOTGVXAUSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000360893885 152244024 /nfs/dbraw/zinc/24/40/24/152244024.db2.gz PIURCPBYQKRKKO-HOTGVXAUSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000360893885 152244026 /nfs/dbraw/zinc/24/40/26/152244026.db2.gz PIURCPBYQKRKKO-HOTGVXAUSA-N 2 1 342.528 1.593 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC000360943713 152260147 /nfs/dbraw/zinc/26/01/47/152260147.db2.gz YEEWLGLXKDHGKF-KRWDZBQOSA-N 2 1 349.450 1.614 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC000360943713 152260149 /nfs/dbraw/zinc/26/01/49/152260149.db2.gz YEEWLGLXKDHGKF-KRWDZBQOSA-N 2 1 349.450 1.614 20 0 EDADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CCOCC1 ZINC000361272657 152350690 /nfs/dbraw/zinc/35/06/90/152350690.db2.gz QOJSKGJCUDBEOT-VSZNYVQBSA-N 2 1 325.497 1.186 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CCN1CC[NH+](CC)CC1 ZINC000361374648 152376731 /nfs/dbraw/zinc/37/67/31/152376731.db2.gz AGDWOFRAGZNIMA-QZTJIDSGSA-N 2 1 336.524 1.489 20 0 EDADMP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[NH+]1CCN(CC)CC1 ZINC000361374648 152376732 /nfs/dbraw/zinc/37/67/32/152376732.db2.gz AGDWOFRAGZNIMA-QZTJIDSGSA-N 2 1 336.524 1.489 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CC[NH+]1CCN(CC)CC1 ZINC000361374648 152376733 /nfs/dbraw/zinc/37/67/33/152376733.db2.gz AGDWOFRAGZNIMA-QZTJIDSGSA-N 2 1 336.524 1.489 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)C1 ZINC000363776015 153053017 /nfs/dbraw/zinc/05/30/17/153053017.db2.gz KRLNTAMJPUZSBE-VQTJNVASSA-N 2 1 331.504 1.692 20 0 EDADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000364089133 153142686 /nfs/dbraw/zinc/14/26/86/153142686.db2.gz AEDJHWOHRHAUEP-DUVNUKRYSA-N 2 1 333.480 1.955 20 0 EDADMP CN1CCN(C2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)C(=O)C1 ZINC000365020974 153399749 /nfs/dbraw/zinc/39/97/49/153399749.db2.gz QKXLKRSUYPUXCT-UHFFFAOYSA-N 2 1 333.480 1.377 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000367072470 154000710 /nfs/dbraw/zinc/00/07/10/154000710.db2.gz GLTYHLRHWNLWCZ-LTIDMASMSA-N 2 1 335.492 1.382 20 0 EDADMP C[C@@H](O)COC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000367195499 154036793 /nfs/dbraw/zinc/03/67/93/154036793.db2.gz NCLAQOUHXODIAF-SJORKVTESA-N 2 1 326.481 1.889 20 0 EDADMP C[C@@H](O)COC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000367195499 154036795 /nfs/dbraw/zinc/03/67/95/154036795.db2.gz NCLAQOUHXODIAF-SJORKVTESA-N 2 1 326.481 1.889 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[N@H+]2CC[C@@H](CNc3ccccn3)C2)C1 ZINC000367274397 154063505 /nfs/dbraw/zinc/06/35/05/154063505.db2.gz MCDVLGQVKPEFOB-LSDHHAIUSA-N 2 1 338.477 1.097 20 0 EDADMP CCNc1nc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)nc(NC(C)(C)C)[nH+]1 ZINC000367333167 154080120 /nfs/dbraw/zinc/08/01/20/154080120.db2.gz PCENUIHKUQAVRX-QWHCGFSZSA-N 2 1 333.484 1.466 20 0 EDADMP CCNc1nc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)nc(NC(C)(C)C)[nH+]1 ZINC000367333167 154080123 /nfs/dbraw/zinc/08/01/23/154080123.db2.gz PCENUIHKUQAVRX-QWHCGFSZSA-N 2 1 333.484 1.466 20 0 EDADMP c1nc(N2CCOCC2)sc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000367467594 154135245 /nfs/dbraw/zinc/13/52/45/154135245.db2.gz RKZZPZBBYNZTAK-PVAVHDDUSA-N 2 1 348.516 1.896 20 0 EDADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367494174 154148005 /nfs/dbraw/zinc/14/80/05/154148005.db2.gz ZWHZERKCGTXNLP-IBGZPJMESA-N 2 1 333.476 1.457 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367494174 154148008 /nfs/dbraw/zinc/14/80/08/154148008.db2.gz ZWHZERKCGTXNLP-IBGZPJMESA-N 2 1 333.476 1.457 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367494174 154148009 /nfs/dbraw/zinc/14/80/09/154148009.db2.gz ZWHZERKCGTXNLP-IBGZPJMESA-N 2 1 333.476 1.457 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367494174 154148011 /nfs/dbraw/zinc/14/80/11/154148011.db2.gz ZWHZERKCGTXNLP-IBGZPJMESA-N 2 1 333.476 1.457 20 0 EDADMP COC(=O)c1coc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000367622153 154201822 /nfs/dbraw/zinc/20/18/22/154201822.db2.gz FWWANMITOCZRKG-OAHLLOKOSA-N 2 1 335.448 1.526 20 0 EDADMP COC(=O)c1coc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000367622153 154201827 /nfs/dbraw/zinc/20/18/27/154201827.db2.gz FWWANMITOCZRKG-OAHLLOKOSA-N 2 1 335.448 1.526 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc4nccn43)C2)CC1 ZINC000367746215 154253054 /nfs/dbraw/zinc/25/30/54/154253054.db2.gz FKWGAWQTENPWNC-KRWDZBQOSA-N 2 1 327.476 1.935 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369617405 155112848 /nfs/dbraw/zinc/11/28/48/155112848.db2.gz NOVXOYAAJLCAFR-UONOGXRCSA-N 2 1 335.452 1.248 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369617405 155112851 /nfs/dbraw/zinc/11/28/51/155112851.db2.gz NOVXOYAAJLCAFR-UONOGXRCSA-N 2 1 335.452 1.248 20 0 EDADMP CC(C)[NH+]1CCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC1 ZINC000371639804 156043958 /nfs/dbraw/zinc/04/39/58/156043958.db2.gz ZAJOJWGZBROTBM-UHFFFAOYSA-N 2 1 333.480 1.535 20 0 EDADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178668964 292336365 /nfs/dbraw/zinc/33/63/65/292336365.db2.gz VYYDELFDNYUTKD-KRWDZBQOSA-N 2 1 331.460 1.962 20 0 EDADMP C[C@H]1CCO[C@H]1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372034322 156219291 /nfs/dbraw/zinc/21/92/91/156219291.db2.gz VXTYBIZIBKWLER-MAUKXSAKSA-N 2 1 337.508 1.724 20 0 EDADMP CCC[C@@](C)(O)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372072069 156232325 /nfs/dbraw/zinc/23/23/25/156232325.db2.gz MJCRZTHDDTZSGL-LJQANCHMSA-N 2 1 339.524 1.850 20 0 EDADMP CCOC(=O)CCCC[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000372272067 156297709 /nfs/dbraw/zinc/29/77/09/156297709.db2.gz FWWSWVFZOJEIEZ-UHFFFAOYSA-N 2 1 341.496 1.060 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)C[C@@H](C)O1 ZINC000372419660 156381426 /nfs/dbraw/zinc/38/14/26/156381426.db2.gz DOLVPDNIAVOANK-BRWVUGGUSA-N 2 1 349.519 1.819 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)NCC(F)(F)C[NH3+])CCCC2)CC1 ZINC000417547671 304404577 /nfs/dbraw/zinc/40/45/77/304404577.db2.gz OYPBARMTMMHYIL-UHFFFAOYSA-N 2 1 348.438 1.303 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000374151128 157167873 /nfs/dbraw/zinc/16/78/73/157167873.db2.gz KUOWHXLHCSVAHH-UHFFFAOYSA-N 2 1 336.524 1.348 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]2([NH+](C)C)CCOc3ccccc32)C1 ZINC000378189646 158104370 /nfs/dbraw/zinc/10/43/70/158104370.db2.gz YTQGOEWRLQCDSE-KHYOSLBOSA-N 2 1 331.460 1.812 20 0 EDADMP CCOC(=O)CCCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378371989 158155520 /nfs/dbraw/zinc/15/55/20/158155520.db2.gz TZZMHTXJIVIWAD-MRXNPFEDSA-N 2 1 325.497 1.820 20 0 EDADMP CCc1nc(CN2CCC[C@H]([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)C2)no1 ZINC000378478813 158185047 /nfs/dbraw/zinc/18/50/47/158185047.db2.gz VYVFGCVKFDPTNR-XUWVNRHRSA-N 2 1 335.496 1.915 20 0 EDADMP CC(C)n1cc(C[N@@H+]2CCCN(C(=O)C3CC[NH2+]CC3)CC2)cn1 ZINC000378488694 158189950 /nfs/dbraw/zinc/18/99/50/158189950.db2.gz AEYIWVRZLNJDLB-UHFFFAOYSA-N 2 1 333.480 1.498 20 0 EDADMP CC(C)n1cc(C[N@H+]2CCCN(C(=O)C3CC[NH2+]CC3)CC2)cn1 ZINC000378488694 158189952 /nfs/dbraw/zinc/18/99/52/158189952.db2.gz AEYIWVRZLNJDLB-UHFFFAOYSA-N 2 1 333.480 1.498 20 0 EDADMP C[C@H]1CN(C2CCN(c3ccnc(N4CCOCC4)n3)CC2)CCO1 ZINC000378526487 158200026 /nfs/dbraw/zinc/20/00/26/158200026.db2.gz OHTFIKAHDBEJSP-HNNXBMFYSA-N 2 1 347.463 1.003 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000352146171 162011985 /nfs/dbraw/zinc/01/19/85/162011985.db2.gz DFNMEUSKFCIXQJ-INIZCTEOSA-N 2 1 342.443 1.988 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000352146171 162011986 /nfs/dbraw/zinc/01/19/86/162011986.db2.gz DFNMEUSKFCIXQJ-INIZCTEOSA-N 2 1 342.443 1.988 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000352242365 162068672 /nfs/dbraw/zinc/06/86/72/162068672.db2.gz UHKOFSOEAXZBGM-HZPDHXFCSA-N 2 1 345.553 1.901 20 0 EDADMP CCCCOC[C@H](O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000366138300 162369840 /nfs/dbraw/zinc/36/98/40/162369840.db2.gz GPZIJXAUTSIRGZ-SJLPKXTDSA-N 2 1 327.513 1.264 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000074371523 287270167 /nfs/dbraw/zinc/27/01/67/287270167.db2.gz VLUSNNHBDOFBFN-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000111454762 287337255 /nfs/dbraw/zinc/33/72/55/287337255.db2.gz LGRXQKZPQGEYCJ-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000111454762 287337256 /nfs/dbraw/zinc/33/72/56/287337256.db2.gz LGRXQKZPQGEYCJ-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000111454762 287337258 /nfs/dbraw/zinc/33/72/58/287337258.db2.gz LGRXQKZPQGEYCJ-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000193889727 272999694 /nfs/dbraw/zinc/99/96/94/272999694.db2.gz NJPZFUHBIOOFNW-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP C[NH2+]CCCC(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000237163789 273008279 /nfs/dbraw/zinc/00/82/79/273008279.db2.gz FZCLYRMKBYZIEL-UHFFFAOYSA-N 2 1 335.448 1.178 20 0 EDADMP C[NH2+]CCCC(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000237163789 273008281 /nfs/dbraw/zinc/00/82/81/273008281.db2.gz FZCLYRMKBYZIEL-UHFFFAOYSA-N 2 1 335.448 1.178 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CN3CCNCC3=O)cc2)C1 ZINC000237675721 273011963 /nfs/dbraw/zinc/01/19/63/273011963.db2.gz JNBVEKBOJNKROR-HNNXBMFYSA-N 2 1 344.459 1.289 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274833934 268217371 /nfs/dbraw/zinc/21/73/71/268217371.db2.gz SBNJOSGRHZRMPB-QGZVFWFLSA-N 2 1 330.476 1.997 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274833934 268217374 /nfs/dbraw/zinc/21/73/74/268217374.db2.gz SBNJOSGRHZRMPB-QGZVFWFLSA-N 2 1 330.476 1.997 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274833934 268217375 /nfs/dbraw/zinc/21/73/75/268217375.db2.gz SBNJOSGRHZRMPB-QGZVFWFLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274193822 273076473 /nfs/dbraw/zinc/07/64/73/273076473.db2.gz GJCYYZNQVRHUMX-YQVWRLOYSA-N 2 1 345.487 1.591 20 0 EDADMP O=C1CCN(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000275654497 273116360 /nfs/dbraw/zinc/11/63/60/273116360.db2.gz CZBWYKLDMMOHCU-UHFFFAOYSA-N 2 1 331.460 1.355 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277511541 273202856 /nfs/dbraw/zinc/20/28/56/273202856.db2.gz QDJVFBQGJXGUHF-UKBAYJJMSA-N 2 1 345.487 1.780 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000279767539 273325412 /nfs/dbraw/zinc/32/54/12/273325412.db2.gz SESWSROIPFYQNA-ROUUACIJSA-N 2 1 348.470 1.860 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000279767539 273325414 /nfs/dbraw/zinc/32/54/14/273325414.db2.gz SESWSROIPFYQNA-ROUUACIJSA-N 2 1 348.470 1.860 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000280735387 273392067 /nfs/dbraw/zinc/39/20/67/273392067.db2.gz NSQUCCCUWVMJRO-MRXNPFEDSA-N 2 1 346.431 1.001 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000280735387 273392069 /nfs/dbraw/zinc/39/20/69/273392069.db2.gz NSQUCCCUWVMJRO-MRXNPFEDSA-N 2 1 346.431 1.001 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N2CCC[C@H](CC[NH3+])C2)c2ccccc2)CC1 ZINC000281608549 273500201 /nfs/dbraw/zinc/50/02/01/273500201.db2.gz AXZQDSGCYQSKPB-IEBWSBKVSA-N 2 1 344.503 1.563 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000125297286 273552033 /nfs/dbraw/zinc/55/20/33/273552033.db2.gz RGVRBUPKKJAXII-IEBWSBKVSA-N 2 1 346.519 1.900 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000282097892 273586660 /nfs/dbraw/zinc/58/66/60/273586660.db2.gz ZBQPAOQMOFUNPF-CQSZACIVSA-N 2 1 326.444 1.389 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H](Cc2ccccc2)[NH+](C)C)[N@H+](C)C1 ZINC000284627468 274270198 /nfs/dbraw/zinc/27/01/98/274270198.db2.gz CJJGDUOEVLJHDB-BZSNNMDCSA-N 2 1 333.476 1.337 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H](Cc2ccccc2)[NH+](C)C)[N@@H+](C)C1 ZINC000284627468 274270200 /nfs/dbraw/zinc/27/02/00/274270200.db2.gz CJJGDUOEVLJHDB-BZSNNMDCSA-N 2 1 333.476 1.337 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000284755767 274319795 /nfs/dbraw/zinc/31/97/95/274319795.db2.gz FUNNEBXMIOWENE-NZSAHSFTSA-N 2 1 344.503 1.117 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000284755767 274319798 /nfs/dbraw/zinc/31/97/98/274319798.db2.gz FUNNEBXMIOWENE-NZSAHSFTSA-N 2 1 344.503 1.117 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000284755767 274319801 /nfs/dbraw/zinc/31/98/01/274319801.db2.gz FUNNEBXMIOWENE-NZSAHSFTSA-N 2 1 344.503 1.117 20 0 EDADMP O=C1[C@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCCN1c1ccccc1F ZINC000420348928 275029702 /nfs/dbraw/zinc/02/97/02/275029702.db2.gz NLEIITIYCAWYSU-CRAIPNDOSA-N 2 1 346.450 1.301 20 0 EDADMP O=C1[C@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCCN1c1ccccc1F ZINC000420348928 275029703 /nfs/dbraw/zinc/02/97/03/275029703.db2.gz NLEIITIYCAWYSU-CRAIPNDOSA-N 2 1 346.450 1.301 20 0 EDADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@]1(N2CCOCC2)CCSC1 ZINC000459471998 275725776 /nfs/dbraw/zinc/72/57/76/275725776.db2.gz OKKVHAFQBFJWJM-KRWDZBQOSA-N 2 1 325.522 1.411 20 0 EDADMP CC1(C)C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1[C@H]1CCCO1 ZINC000351980462 276131617 /nfs/dbraw/zinc/13/16/17/276131617.db2.gz CGVLWBVRPBKLQO-SJLPKXTDSA-N 2 1 335.492 1.619 20 0 EDADMP CC1(C)C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1[C@H]1CCCO1 ZINC000351980462 276131618 /nfs/dbraw/zinc/13/16/18/276131618.db2.gz CGVLWBVRPBKLQO-SJLPKXTDSA-N 2 1 335.492 1.619 20 0 EDADMP CC[NH2+]CCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418318282 276265787 /nfs/dbraw/zinc/26/57/87/276265787.db2.gz OXNNOJFOUVNPGZ-ROUUACIJSA-N 2 1 330.476 1.759 20 0 EDADMP CCOC[C@H](C)[NH2+]C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354932208 276331705 /nfs/dbraw/zinc/33/17/05/276331705.db2.gz QOTKWBULHQILLG-MELADBBJSA-N 2 1 325.432 1.474 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(N)=O)cc1 ZINC000128979780 276370981 /nfs/dbraw/zinc/37/09/81/276370981.db2.gz ZWYYEJPRVWNQGJ-QGZVFWFLSA-N 2 1 346.475 1.274 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[NH2+]CC[C@H]2CCOC2)cc[nH+]1 ZINC000354934905 276904118 /nfs/dbraw/zinc/90/41/18/276904118.db2.gz NQTLKWYTAREZEV-RRFJBIMHSA-N 2 1 337.443 1.476 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416022380 277286923 /nfs/dbraw/zinc/28/69/23/277286923.db2.gz YYVBFUZGIAFYGS-GASCZTMLSA-N 2 1 334.464 1.979 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416022380 277286924 /nfs/dbraw/zinc/28/69/24/277286924.db2.gz YYVBFUZGIAFYGS-GASCZTMLSA-N 2 1 334.464 1.979 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)[N@H+](C)C1 ZINC000332314821 277346771 /nfs/dbraw/zinc/34/67/71/277346771.db2.gz UMBWOYBZGGMBSN-JLSDUUJJSA-N 2 1 346.475 1.442 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)[N@@H+](C)C1 ZINC000332314821 277346772 /nfs/dbraw/zinc/34/67/72/277346772.db2.gz UMBWOYBZGGMBSN-JLSDUUJJSA-N 2 1 346.475 1.442 20 0 EDADMP CC(C)n1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000261642090 278127342 /nfs/dbraw/zinc/12/73/42/278127342.db2.gz IOYOATRRWHVLSD-RDJZCZTQSA-N 2 1 333.480 1.544 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000262033872 279044776 /nfs/dbraw/zinc/04/47/76/279044776.db2.gz KEDSEOGJMPCPNY-MSOLQXFVSA-N 2 1 330.476 1.186 20 0 EDADMP CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)[NH+]1CCOCC1 ZINC000157403622 279149392 /nfs/dbraw/zinc/14/93/92/279149392.db2.gz RSYYDLGQYFQHLY-QGZVFWFLSA-N 2 1 342.528 1.715 20 0 EDADMP CC[N@@H+](CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C(C)C ZINC000341099074 279192907 /nfs/dbraw/zinc/19/29/07/279192907.db2.gz YQNMTCGVIRIVNP-INIZCTEOSA-N 2 1 328.501 1.469 20 0 EDADMP CC[N@H+](CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000101977920 279198316 /nfs/dbraw/zinc/19/83/16/279198316.db2.gz VEUSYHOJSISJQX-HUUCEWRRSA-N 2 1 340.512 1.658 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000101977920 279198317 /nfs/dbraw/zinc/19/83/17/279198317.db2.gz VEUSYHOJSISJQX-HUUCEWRRSA-N 2 1 340.512 1.658 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1n[nH]c2c1CCC2 ZINC000125586188 279303070 /nfs/dbraw/zinc/30/30/70/279303070.db2.gz FHFLKJMWNMFOED-CQSZACIVSA-N 2 1 333.480 1.387 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000339608854 279317565 /nfs/dbraw/zinc/31/75/65/279317565.db2.gz SIKHGQPIDBBLTD-DLBZAZTESA-N 2 1 346.475 1.006 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc3c(c2)C[NH2+]C3)CCCO1 ZINC000418110743 288162628 /nfs/dbraw/zinc/16/26/28/288162628.db2.gz FVWIIURUOLIBGE-OAHLLOKOSA-N 2 1 346.475 1.590 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000418710960 288164553 /nfs/dbraw/zinc/16/45/53/288164553.db2.gz FGPDWMKPFFLCJZ-QKPAOTATSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000418710960 288164556 /nfs/dbraw/zinc/16/45/56/288164556.db2.gz FGPDWMKPFFLCJZ-QKPAOTATSA-N 2 1 326.485 1.255 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322750 280245073 /nfs/dbraw/zinc/24/50/73/280245073.db2.gz FGMIQALNZWHSOX-YESZJQIVSA-N 2 1 337.508 1.853 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(Cl)cn1 ZINC000287384391 288225429 /nfs/dbraw/zinc/22/54/29/288225429.db2.gz LMDDSKCALSVYCA-OAHLLOKOSA-N 2 1 341.887 1.411 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC2(C)CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000418532286 280354057 /nfs/dbraw/zinc/35/40/57/280354057.db2.gz YSHYRXPOXOPCIF-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360748574 288302048 /nfs/dbraw/zinc/30/20/48/288302048.db2.gz WZGQYPLGMXPOOV-FMKPAKJESA-N 2 1 326.510 1.302 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC000287982699 288373310 /nfs/dbraw/zinc/37/33/10/288373310.db2.gz JLBMNMQIYCZHAT-SJLPKXTDSA-N 2 1 348.491 1.263 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000287982699 288373311 /nfs/dbraw/zinc/37/33/11/288373311.db2.gz JLBMNMQIYCZHAT-SJLPKXTDSA-N 2 1 348.491 1.263 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000287982699 288373312 /nfs/dbraw/zinc/37/33/12/288373312.db2.gz JLBMNMQIYCZHAT-SJLPKXTDSA-N 2 1 348.491 1.263 20 0 EDADMP C[C@H](O)c1ncc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)s1 ZINC000290196842 288856529 /nfs/dbraw/zinc/85/65/29/288856529.db2.gz CQCLZNGVPZFCKC-LBPRGKRZSA-N 2 1 336.461 1.822 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCOCC1 ZINC000177723349 289054869 /nfs/dbraw/zinc/05/48/69/289054869.db2.gz QWCPBMOPLOPTBN-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)c1cccc(F)c1 ZINC000272043354 289282672 /nfs/dbraw/zinc/28/26/72/289282672.db2.gz DUIVBQSJWSEAQX-KRWDZBQOSA-N 2 1 334.439 1.990 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2CC[N@@H+](C)[C@@H]2C1)c1ccccc1 ZINC000363819945 289353469 /nfs/dbraw/zinc/35/34/69/289353469.db2.gz KFPZBSHSWMIZFC-GUDVDZBRSA-N 2 1 344.503 1.432 20 0 EDADMP C[C@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000101648730 289354484 /nfs/dbraw/zinc/35/44/84/289354484.db2.gz KSCGKIYAHIBCNH-PBHICJAKSA-N 2 1 336.455 1.181 20 0 EDADMP COC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000367713747 293118125 /nfs/dbraw/zinc/11/81/25/293118125.db2.gz VLKVUVRFVNGQLB-BHYGNILZSA-N 2 1 335.448 1.168 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C[C@@H](C)O1 ZINC000333819640 297015843 /nfs/dbraw/zinc/01/58/43/297015843.db2.gz KREMHJFIUWBUEA-JZAWBGDQSA-N 2 1 338.496 1.268 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)c1 ZINC000418541001 304510339 /nfs/dbraw/zinc/51/03/39/304510339.db2.gz ATWDQFCDELBGTL-FUHWJXTLSA-N 2 1 330.476 1.963 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000418556364 304512757 /nfs/dbraw/zinc/51/27/57/304512757.db2.gz FJAJXIJKISNPGC-ZBFHGGJFSA-N 2 1 336.505 1.616 20 0 EDADMP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000418790125 304531317 /nfs/dbraw/zinc/53/13/17/304531317.db2.gz LLXWYSPHRSFKLT-GBESFXJTSA-N 2 1 342.487 1.902 20 0 EDADMP C[C@@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420401494 304755926 /nfs/dbraw/zinc/75/59/26/304755926.db2.gz GOHPNYJPFQWSDJ-ZDUSSCGKSA-N 2 1 335.473 1.299 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cn2cc[nH+]c12 ZINC000294138576 303068369 /nfs/dbraw/zinc/06/83/69/303068369.db2.gz QFMWCXIMFOUNJJ-DZGCQCFKSA-N 2 1 343.431 1.570 20 0 EDADMP COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000295038056 303165838 /nfs/dbraw/zinc/16/58/38/303165838.db2.gz MICMDVRBSVYBLM-SFHVURJKSA-N 2 1 329.400 1.884 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1cccc2nonc21 ZINC000296690290 303332377 /nfs/dbraw/zinc/33/23/77/303332377.db2.gz JLRDAKGHXIZOJC-UHFFFAOYSA-N 2 1 346.435 1.713 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)c1ccccc1 ZINC000456208433 447328276 /nfs/dbraw/zinc/32/82/76/447328276.db2.gz IIPPXWCIPSTYIC-SOLBZPMBSA-N 2 1 333.476 1.593 20 0 EDADMP CCN(C)[C@@H](C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)c1ccccc1 ZINC000456208433 447328281 /nfs/dbraw/zinc/32/82/81/447328281.db2.gz IIPPXWCIPSTYIC-SOLBZPMBSA-N 2 1 333.476 1.593 20 0 EDADMP COc1ccccc1N1CC[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C1=O ZINC000365997799 303837322 /nfs/dbraw/zinc/83/73/22/303837322.db2.gz YTWMKWADQQUJDQ-UONOGXRCSA-N 2 1 326.400 1.602 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000390549803 303849638 /nfs/dbraw/zinc/84/96/38/303849638.db2.gz JQQSPLRGAPFUJZ-UXHICEINSA-N 2 1 330.520 1.911 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000414891736 447346824 /nfs/dbraw/zinc/34/68/24/447346824.db2.gz WVOGHLVWMPTIMY-MRXNPFEDSA-N 2 1 332.448 1.143 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000414891736 447346827 /nfs/dbraw/zinc/34/68/27/447346827.db2.gz WVOGHLVWMPTIMY-MRXNPFEDSA-N 2 1 332.448 1.143 20 0 EDADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1)N1CCCCC1 ZINC000423098821 304885941 /nfs/dbraw/zinc/88/59/41/304885941.db2.gz SMVSSKCMZAKSLU-SPOLIRPYSA-N 2 1 349.519 1.914 20 0 EDADMP [NH3+]CC1(O)CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000424066566 304927077 /nfs/dbraw/zinc/92/70/77/304927077.db2.gz YMFCKYFRUNKSMQ-MRXNPFEDSA-N 2 1 349.500 1.089 20 0 EDADMP COCCOc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000430581404 305056961 /nfs/dbraw/zinc/05/69/61/305056961.db2.gz IVKHKAZDXAOPDC-DOTOQJQBSA-N 2 1 349.475 1.387 20 0 EDADMP COCCOc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000430581404 305056962 /nfs/dbraw/zinc/05/69/62/305056962.db2.gz IVKHKAZDXAOPDC-DOTOQJQBSA-N 2 1 349.475 1.387 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000430586188 305057104 /nfs/dbraw/zinc/05/71/04/305057104.db2.gz VKPVJXZPNHLWHX-ZFWWWQNUSA-N 2 1 335.448 1.379 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000430586188 305057105 /nfs/dbraw/zinc/05/71/05/305057105.db2.gz VKPVJXZPNHLWHX-ZFWWWQNUSA-N 2 1 335.448 1.379 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000430583939 305057159 /nfs/dbraw/zinc/05/71/59/305057159.db2.gz YMNJQZHUAMTCTF-WBVHZDCISA-N 2 1 330.476 1.225 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000430583939 305057160 /nfs/dbraw/zinc/05/71/60/305057160.db2.gz YMNJQZHUAMTCTF-WBVHZDCISA-N 2 1 330.476 1.225 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000430608847 305058551 /nfs/dbraw/zinc/05/85/51/305058551.db2.gz GHPUHVRMNYDJTR-PKOBYXMFSA-N 2 1 344.503 1.533 20 0 EDADMP Cc1ccc(C)c(OCC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430631880 305060381 /nfs/dbraw/zinc/06/03/81/305060381.db2.gz VZHTXISWYZQVLG-SFHVURJKSA-N 2 1 345.487 1.826 20 0 EDADMP [NH3+]CCCn1ccc2cc(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)ccc21 ZINC000431040030 305073506 /nfs/dbraw/zinc/07/35/06/305073506.db2.gz UXMWBHHYMJGULE-INIZCTEOSA-N 2 1 326.444 1.957 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000433072000 305099632 /nfs/dbraw/zinc/09/96/32/305099632.db2.gz MMEJLQJVISPBKK-QGZVFWFLSA-N 2 1 345.553 1.159 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433294778 305105329 /nfs/dbraw/zinc/10/53/29/305105329.db2.gz NFQQTIGMOQZKEO-SJORKVTESA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433374994 305106787 /nfs/dbraw/zinc/10/67/87/305106787.db2.gz KGYAOMXEPIMSSD-OWCLPIDISA-N 2 1 348.495 1.300 20 0 EDADMP Cc1c([C@H]2[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC(=O)N2C)cnn1C ZINC000433593376 305111355 /nfs/dbraw/zinc/11/13/55/305111355.db2.gz KFSXSFXTFKFQFK-SZXPJGKVSA-N 2 1 331.464 1.217 20 0 EDADMP Cc1c([C@H]2[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC(=O)N2C)cnn1C ZINC000433593376 305111356 /nfs/dbraw/zinc/11/13/56/305111356.db2.gz KFSXSFXTFKFQFK-SZXPJGKVSA-N 2 1 331.464 1.217 20 0 EDADMP C[C@H]([NH3+])CCC(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000434684953 305127688 /nfs/dbraw/zinc/12/76/88/305127688.db2.gz NPSGEJTWOFOZLO-AWEZNQCLSA-N 2 1 332.448 1.530 20 0 EDADMP C[C@]1(c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)CC[NH2+]C1 ZINC000435720005 305146308 /nfs/dbraw/zinc/14/63/08/305146308.db2.gz SXHTXAHCFAXETL-SFHVURJKSA-N 2 1 328.416 1.820 20 0 EDADMP CC(=O)Nc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436057491 305151679 /nfs/dbraw/zinc/15/16/79/305151679.db2.gz GNUJFCFMKGCAOR-QGZVFWFLSA-N 2 1 332.448 1.465 20 0 EDADMP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000444369928 305247358 /nfs/dbraw/zinc/24/73/58/305247358.db2.gz WKPQJWSOLLQVEL-LPHOPBHVSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000444369928 305247359 /nfs/dbraw/zinc/24/73/59/305247359.db2.gz WKPQJWSOLLQVEL-LPHOPBHVSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000444369928 305247360 /nfs/dbraw/zinc/24/73/60/305247360.db2.gz WKPQJWSOLLQVEL-LPHOPBHVSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000444369928 305247361 /nfs/dbraw/zinc/24/73/61/305247361.db2.gz WKPQJWSOLLQVEL-LPHOPBHVSA-N 2 1 345.487 1.565 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)n1C ZINC000445106497 305256463 /nfs/dbraw/zinc/25/64/63/305256463.db2.gz FDMWEJUJOULKPM-UHFFFAOYSA-N 2 1 336.484 1.407 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NCC[N@H+]2CCCC(C)(C)C2)n1C ZINC000445106497 305256464 /nfs/dbraw/zinc/25/64/64/305256464.db2.gz FDMWEJUJOULKPM-UHFFFAOYSA-N 2 1 336.484 1.407 20 0 EDADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000446365713 305263745 /nfs/dbraw/zinc/26/37/45/305263745.db2.gz BEQISSVTMMPXLN-HWLIBYHHSA-N 2 1 335.492 1.652 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000448907626 305303579 /nfs/dbraw/zinc/30/35/79/305303579.db2.gz DIKQKGUXXFINJV-KRWDZBQOSA-N 2 1 343.431 1.450 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccncc2F)c1 ZINC000449115555 305306999 /nfs/dbraw/zinc/30/69/99/305306999.db2.gz HYJLGTWRNRKTLH-UHFFFAOYSA-N 2 1 330.407 1.802 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000449324789 305311459 /nfs/dbraw/zinc/31/14/59/305311459.db2.gz ZUPKEZVNPQNTSH-IBGZPJMESA-N 2 1 331.460 1.098 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000449349030 305312238 /nfs/dbraw/zinc/31/22/38/305312238.db2.gz OBFVMIMZUACYGN-HQRMLTQVSA-N 2 1 345.487 1.221 20 0 EDADMP CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]1C ZINC000451563643 305353806 /nfs/dbraw/zinc/35/38/06/305353806.db2.gz JWHCWZZLYRLRFY-YESZJQIVSA-N 2 1 346.475 1.476 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452067305 305381692 /nfs/dbraw/zinc/38/16/92/305381692.db2.gz IDCJJUYUBSSRNI-FPAYPSAMSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@H](C)C[C@H](O)C1 ZINC000452067305 305381693 /nfs/dbraw/zinc/38/16/93/305381693.db2.gz IDCJJUYUBSSRNI-FPAYPSAMSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@H](C)C[C@H](O)C1 ZINC000452067305 305381694 /nfs/dbraw/zinc/38/16/94/305381694.db2.gz IDCJJUYUBSSRNI-FPAYPSAMSA-N 2 1 345.487 1.468 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCCC[NH+]1CCO)c1ccccc1 ZINC000452389054 305396982 /nfs/dbraw/zinc/39/69/82/305396982.db2.gz LAWLTPAYARCVQE-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCCC[NH+]1CCO)c1ccccc1 ZINC000452389054 305396983 /nfs/dbraw/zinc/39/69/83/305396983.db2.gz LAWLTPAYARCVQE-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1 ZINC000452389054 305396984 /nfs/dbraw/zinc/39/69/84/305396984.db2.gz LAWLTPAYARCVQE-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1ccccc1 ZINC000452389054 305396985 /nfs/dbraw/zinc/39/69/85/305396985.db2.gz LAWLTPAYARCVQE-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000514684011 305702336 /nfs/dbraw/zinc/70/23/36/305702336.db2.gz GNTSFNMBPXSXQH-ZDUSSCGKSA-N 2 1 346.479 1.740 20 0 EDADMP COc1cccc(NC(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530237561 305935539 /nfs/dbraw/zinc/93/55/39/305935539.db2.gz FJPDDNSCYIYRLQ-GOSISDBHSA-N 2 1 347.459 1.724 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000414945844 447366972 /nfs/dbraw/zinc/36/69/72/447366972.db2.gz SHCQFHRYLMLRLZ-WBVHZDCISA-N 2 1 331.460 1.775 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H]([NH+]3CCCC3)C1)n2C ZINC000537582892 306027713 /nfs/dbraw/zinc/02/77/13/306027713.db2.gz UCUPMJLVFQCUSV-CYBMUJFWSA-N 2 1 342.447 1.345 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)N3CCCCC3)C2)CC1 ZINC000541984396 306050477 /nfs/dbraw/zinc/05/04/77/306050477.db2.gz PEEQQWCPAHKHKT-GOSISDBHSA-N 2 1 336.524 1.489 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000551951669 306170521 /nfs/dbraw/zinc/17/05/21/306170521.db2.gz HJZOACFQVZQCAP-MRXNPFEDSA-N 2 1 331.460 1.728 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000553481284 306185570 /nfs/dbraw/zinc/18/55/70/306185570.db2.gz IJNDDKCPCCBCBC-HKUYNNGSSA-N 2 1 345.487 1.593 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000553481284 306185571 /nfs/dbraw/zinc/18/55/71/306185571.db2.gz IJNDDKCPCCBCBC-HKUYNNGSSA-N 2 1 345.487 1.593 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C[C@H]1c1ccccc1 ZINC000556172395 306208766 /nfs/dbraw/zinc/20/87/66/306208766.db2.gz XEGHVHQITBDGJI-RDJZCZTQSA-N 2 1 327.432 1.565 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C[C@H]1c1ccccc1 ZINC000556172395 306208767 /nfs/dbraw/zinc/20/87/67/306208767.db2.gz XEGHVHQITBDGJI-RDJZCZTQSA-N 2 1 327.432 1.565 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000557221150 306226789 /nfs/dbraw/zinc/22/67/89/306226789.db2.gz GQWPRXVNGMHDOH-SFHVURJKSA-N 2 1 346.475 1.237 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000422141894 447369626 /nfs/dbraw/zinc/36/96/26/447369626.db2.gz NYHNUVNNNUWZSE-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000422141894 447369634 /nfs/dbraw/zinc/36/96/34/447369634.db2.gz NYHNUVNNNUWZSE-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000422141894 447369638 /nfs/dbraw/zinc/36/96/38/447369638.db2.gz NYHNUVNNNUWZSE-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000422141894 447369644 /nfs/dbraw/zinc/36/96/44/447369644.db2.gz NYHNUVNNNUWZSE-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CC[NH2+]1 ZINC000414946685 447369240 /nfs/dbraw/zinc/36/92/40/447369240.db2.gz JTEQFDBEJAYEEK-WBVHZDCISA-N 2 1 331.460 1.918 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000414951721 447370496 /nfs/dbraw/zinc/37/04/96/447370496.db2.gz HBQMZCWJCILEJR-MQIPJXDCSA-N 2 1 330.432 1.244 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@H+]3C[C@@H]4[C@H]5CCCC[NH+]5C[C@H]4C3)C2=O)cn1 ZINC000377855029 447379312 /nfs/dbraw/zinc/37/93/12/447379312.db2.gz IRHRUNBNMGEOPP-OWLYRPNTSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@@H+]3C[C@@H]4[C@H]5CCCC[NH+]5C[C@H]4C3)C2=O)cn1 ZINC000377855029 447379318 /nfs/dbraw/zinc/37/93/18/447379318.db2.gz IRHRUNBNMGEOPP-OWLYRPNTSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1cc(N2CCC[C@H]([NH+]3C[C@@H]4[C@H]5CCCC[N@H+]5C[C@H]4C3)C2=O)cn1 ZINC000377855029 447379326 /nfs/dbraw/zinc/37/93/26/447379326.db2.gz IRHRUNBNMGEOPP-OWLYRPNTSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1cc(N2CCC[C@H]([NH+]3C[C@@H]4[C@H]5CCCC[N@@H+]5C[C@H]4C3)C2=O)cn1 ZINC000377855029 447379330 /nfs/dbraw/zinc/37/93/30/447379330.db2.gz IRHRUNBNMGEOPP-OWLYRPNTSA-N 2 1 343.475 1.332 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000377908454 447387836 /nfs/dbraw/zinc/38/78/36/447387836.db2.gz TWKIFLFGJXRMHN-BRWVUGGUSA-N 2 1 335.492 1.620 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000377908464 447388285 /nfs/dbraw/zinc/38/82/85/447388285.db2.gz TWKIFLFGJXRMHN-IXDOHACOSA-N 2 1 335.492 1.620 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000377908458 447388398 /nfs/dbraw/zinc/38/83/98/447388398.db2.gz TWKIFLFGJXRMHN-IKGGRYGDSA-N 2 1 335.492 1.620 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000458529491 447401823 /nfs/dbraw/zinc/40/18/23/447401823.db2.gz XZINQBAKGMBNSW-GOEBONIOSA-N 2 1 328.526 1.549 20 0 EDADMP CC(C)CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000045751808 441031976 /nfs/dbraw/zinc/03/19/76/441031976.db2.gz LCHSXZBPECGAHH-GOSISDBHSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000045751808 441031983 /nfs/dbraw/zinc/03/19/83/441031983.db2.gz LCHSXZBPECGAHH-GOSISDBHSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000045751808 441031989 /nfs/dbraw/zinc/03/19/89/441031989.db2.gz LCHSXZBPECGAHH-GOSISDBHSA-N 2 1 339.524 1.970 20 0 EDADMP C[NH+](C)CCOC1CC[NH+](CN2CC3(CCCC3)OC2=O)CC1 ZINC000494452494 447436943 /nfs/dbraw/zinc/43/69/43/447436943.db2.gz KLANGLRUXDWSJL-UHFFFAOYSA-N 2 1 325.453 1.752 20 0 EDADMP C[N@@H+](CCOc1ccc(Br)cc1)CCN1CC[NH2+]CC1 ZINC000071150520 441141320 /nfs/dbraw/zinc/14/13/20/441141320.db2.gz FYDJCVMYQSGNLT-UHFFFAOYSA-N 2 1 342.281 1.665 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000081255950 441245400 /nfs/dbraw/zinc/24/54/00/441245400.db2.gz DHWQGWQYQSSFIE-UHFFFAOYSA-N 2 1 333.476 1.170 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000081282444 441248007 /nfs/dbraw/zinc/24/80/07/441248007.db2.gz JWPUIKUQEIUBBO-SFHVURJKSA-N 2 1 331.460 1.984 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000081282444 441248011 /nfs/dbraw/zinc/24/80/11/441248011.db2.gz JWPUIKUQEIUBBO-SFHVURJKSA-N 2 1 331.460 1.984 20 0 EDADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000081378011 441261637 /nfs/dbraw/zinc/26/16/37/441261637.db2.gz XHSWDCBSAOPIEK-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000081378011 441261642 /nfs/dbraw/zinc/26/16/42/441261642.db2.gz XHSWDCBSAOPIEK-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000081378011 441261647 /nfs/dbraw/zinc/26/16/47/441261647.db2.gz XHSWDCBSAOPIEK-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000081378011 441261651 /nfs/dbraw/zinc/26/16/51/441261651.db2.gz XHSWDCBSAOPIEK-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000081465912 441273353 /nfs/dbraw/zinc/27/33/53/441273353.db2.gz PUKODDNBLPHJEL-QGZVFWFLSA-N 2 1 337.508 1.964 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000081465912 441273357 /nfs/dbraw/zinc/27/33/57/441273357.db2.gz PUKODDNBLPHJEL-QGZVFWFLSA-N 2 1 337.508 1.964 20 0 EDADMP COCCC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000073251457 441305003 /nfs/dbraw/zinc/30/50/03/441305003.db2.gz HVAWYPQXKDARRC-UHFFFAOYSA-N 2 1 336.480 1.967 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000073251457 441305007 /nfs/dbraw/zinc/30/50/07/441305007.db2.gz HVAWYPQXKDARRC-UHFFFAOYSA-N 2 1 336.480 1.967 20 0 EDADMP COCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000064508601 441381887 /nfs/dbraw/zinc/38/18/87/441381887.db2.gz DYHJWXLCJZGHSA-UHFFFAOYSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000064508601 441381889 /nfs/dbraw/zinc/38/18/89/441381889.db2.gz DYHJWXLCJZGHSA-UHFFFAOYSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nccs1 ZINC000073757459 441350858 /nfs/dbraw/zinc/35/08/58/441350858.db2.gz NQSWQAQRJXKSBW-CQSZACIVSA-N 2 1 339.509 1.701 20 0 EDADMP C[C@@H](NC(=O)NC1CC[NH+](CCN(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000085389908 441437684 /nfs/dbraw/zinc/43/76/84/441437684.db2.gz APYITTFZEQNOIL-OAHLLOKOSA-N 2 1 341.544 1.288 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000052869973 441482432 /nfs/dbraw/zinc/48/24/32/441482432.db2.gz PNSAONCHYBZAME-IXDOHACOSA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000052869973 441482436 /nfs/dbraw/zinc/48/24/36/441482436.db2.gz PNSAONCHYBZAME-IXDOHACOSA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000052869973 441482440 /nfs/dbraw/zinc/48/24/40/441482440.db2.gz PNSAONCHYBZAME-IXDOHACOSA-N 2 1 325.497 1.437 20 0 EDADMP C[NH+]1CCN(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000066405046 441529459 /nfs/dbraw/zinc/52/94/59/441529459.db2.gz JMVLIGRKYLYFLM-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000112215762 441546845 /nfs/dbraw/zinc/54/68/45/441546845.db2.gz HSKPWYLWRXCFLZ-HOTGVXAUSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H](O)[C@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000089932524 441597973 /nfs/dbraw/zinc/59/79/73/441597973.db2.gz XSWNEXXMQJOBCA-FZDBZEDMSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@@H](O)[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000089932524 441597975 /nfs/dbraw/zinc/59/79/75/441597975.db2.gz XSWNEXXMQJOBCA-FZDBZEDMSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@@H](O)[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000089932524 441597976 /nfs/dbraw/zinc/59/79/76/441597976.db2.gz XSWNEXXMQJOBCA-FZDBZEDMSA-N 2 1 328.497 1.189 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000090582413 441636923 /nfs/dbraw/zinc/63/69/23/441636923.db2.gz SPKCGVHEKPPAIU-OUCADQQQSA-N 2 1 345.534 1.653 20 0 EDADMP CC1CC[NH+](CC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000137515321 441773094 /nfs/dbraw/zinc/77/30/94/441773094.db2.gz CYGYNNNWYWKOMJ-SFHVURJKSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000173663891 441820031 /nfs/dbraw/zinc/82/00/31/441820031.db2.gz HCPIEDQFMKZPOA-WCXIOVBPSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000173663891 441820035 /nfs/dbraw/zinc/82/00/35/441820035.db2.gz HCPIEDQFMKZPOA-WCXIOVBPSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000173663891 441820038 /nfs/dbraw/zinc/82/00/38/441820038.db2.gz HCPIEDQFMKZPOA-WCXIOVBPSA-N 2 1 340.512 1.610 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000115798744 441779587 /nfs/dbraw/zinc/77/95/87/441779587.db2.gz OURCZFLQYYEDJU-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000121993791 441824199 /nfs/dbraw/zinc/82/41/99/441824199.db2.gz YLZFQNLQZVXHFD-QGZVFWFLSA-N 2 1 346.519 1.781 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000174349157 441915072 /nfs/dbraw/zinc/91/50/72/441915072.db2.gz FCKMHJNPGIVCJH-UHFFFAOYSA-N 2 1 332.492 1.458 20 0 EDADMP C[C@H](C(=O)NCc1cccs1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174714251 441957892 /nfs/dbraw/zinc/95/78/92/441957892.db2.gz PALUQJXEXTYFLS-OAHLLOKOSA-N 2 1 338.521 1.322 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000175184515 442012561 /nfs/dbraw/zinc/01/25/61/442012561.db2.gz QVZDELZDJYHRGU-OWCLPIDISA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000175184515 442012567 /nfs/dbraw/zinc/01/25/67/442012567.db2.gz QVZDELZDJYHRGU-OWCLPIDISA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[NH+](CCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000079121945 442022169 /nfs/dbraw/zinc/02/21/69/442022169.db2.gz IVGZLOAFEOEHES-KRWDZBQOSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc3c(c2)nc(C)n3[C@@H](C)CO)C1 ZINC000456721596 447445770 /nfs/dbraw/zinc/44/57/70/447445770.db2.gz QUGGGZZWRPQHJA-SJCJKPOMSA-N 2 1 346.431 1.557 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000175368557 442051733 /nfs/dbraw/zinc/05/17/33/442051733.db2.gz OYDDQKRXBRWCNX-QGZVFWFLSA-N 2 1 348.495 1.122 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000175368557 442051739 /nfs/dbraw/zinc/05/17/39/442051739.db2.gz OYDDQKRXBRWCNX-QGZVFWFLSA-N 2 1 348.495 1.122 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000175368557 442051743 /nfs/dbraw/zinc/05/17/43/442051743.db2.gz OYDDQKRXBRWCNX-QGZVFWFLSA-N 2 1 348.495 1.122 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000175368557 442051751 /nfs/dbraw/zinc/05/17/51/442051751.db2.gz OYDDQKRXBRWCNX-QGZVFWFLSA-N 2 1 348.495 1.122 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175535595 442082001 /nfs/dbraw/zinc/08/20/01/442082001.db2.gz XGRTYRWPAXANMU-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC([NH+](C)CCO)CC1 ZINC000162326227 442083392 /nfs/dbraw/zinc/08/33/92/442083392.db2.gz JWRJIPDBJGGSSX-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000162326227 442083396 /nfs/dbraw/zinc/08/33/96/442083396.db2.gz JWRJIPDBJGGSSX-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000162326227 442083401 /nfs/dbraw/zinc/08/34/01/442083401.db2.gz JWRJIPDBJGGSSX-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000080049974 442110060 /nfs/dbraw/zinc/11/00/60/442110060.db2.gz LHCCWHLVEDCYGN-SJORKVTESA-N 2 1 338.496 1.225 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2)c1ccccc1 ZINC000097096304 442166141 /nfs/dbraw/zinc/16/61/41/442166141.db2.gz IWYUSYYCYLYKKF-UJJTZGENSA-N 2 1 331.460 1.393 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)c1cccs1 ZINC000170693249 442250178 /nfs/dbraw/zinc/25/01/78/442250178.db2.gz URGRWPOIVIXWCK-HNNXBMFYSA-N 2 1 339.505 1.970 20 0 EDADMP CC(C)[NH2+]CCC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000166122250 442214213 /nfs/dbraw/zinc/21/42/13/442214213.db2.gz JZZHWGXYKPBOCK-MRXNPFEDSA-N 2 1 333.476 1.912 20 0 EDADMP CC(C)[NH2+]CCC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000166122250 442214216 /nfs/dbraw/zinc/21/42/16/442214216.db2.gz JZZHWGXYKPBOCK-MRXNPFEDSA-N 2 1 333.476 1.912 20 0 EDADMP CC[C@H]1CN(C(=O)[C@H](N)c2ccccc2OC)CC[N@@H+]1CCOC ZINC000168062451 442222819 /nfs/dbraw/zinc/22/28/19/442222819.db2.gz LJIBMLGWKVAMCW-WMLDXEAASA-N 2 1 335.448 1.264 20 0 EDADMP CC[C@H]1CN(C(=O)[C@H](N)c2ccccc2OC)CC[N@H+]1CCOC ZINC000168062451 442222823 /nfs/dbraw/zinc/22/28/23/442222823.db2.gz LJIBMLGWKVAMCW-WMLDXEAASA-N 2 1 335.448 1.264 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000128011330 442240001 /nfs/dbraw/zinc/24/00/01/442240001.db2.gz KKKCIHZZCDUDEW-CZUORRHYSA-N 2 1 325.478 1.196 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 ZINC000152835907 442246898 /nfs/dbraw/zinc/24/68/98/442246898.db2.gz GCGNYRYUFFOOTJ-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000152835907 442246900 /nfs/dbraw/zinc/24/69/00/442246900.db2.gz GCGNYRYUFFOOTJ-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000152835907 442246903 /nfs/dbraw/zinc/24/69/03/442246903.db2.gz GCGNYRYUFFOOTJ-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000152835907 442246904 /nfs/dbraw/zinc/24/69/04/442246904.db2.gz GCGNYRYUFFOOTJ-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000152835907 442246907 /nfs/dbraw/zinc/24/69/07/442246907.db2.gz GCGNYRYUFFOOTJ-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@H](C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000177051546 442290692 /nfs/dbraw/zinc/29/06/92/442290692.db2.gz TZBCOEMODMMTPJ-OAHLLOKOSA-N 2 1 336.455 1.010 20 0 EDADMP C[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000177051546 442290695 /nfs/dbraw/zinc/29/06/95/442290695.db2.gz TZBCOEMODMMTPJ-OAHLLOKOSA-N 2 1 336.455 1.010 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000171034567 442302237 /nfs/dbraw/zinc/30/22/37/442302237.db2.gz DGGZJQQVPWKXKD-OAGGEKHMSA-N 2 1 328.501 1.515 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000171034567 442302240 /nfs/dbraw/zinc/30/22/40/442302240.db2.gz DGGZJQQVPWKXKD-OAGGEKHMSA-N 2 1 328.501 1.515 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000171034567 442302243 /nfs/dbraw/zinc/30/22/43/442302243.db2.gz DGGZJQQVPWKXKD-OAGGEKHMSA-N 2 1 328.501 1.515 20 0 EDADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+](CCOC)CC1 ZINC000154090087 442320472 /nfs/dbraw/zinc/32/04/72/442320472.db2.gz DRESQHZGOASYIP-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+](CCOC)CC1 ZINC000154090087 442320476 /nfs/dbraw/zinc/32/04/76/442320476.db2.gz DRESQHZGOASYIP-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000171193115 442325691 /nfs/dbraw/zinc/32/56/91/442325691.db2.gz COLVBLBJQFPHDG-UHFFFAOYSA-N 2 1 348.491 1.660 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)C1 ZINC000154939047 442365773 /nfs/dbraw/zinc/36/57/73/442365773.db2.gz RCAOLWPCIBYPFK-INIZCTEOSA-N 2 1 348.447 1.214 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)C1 ZINC000154939047 442365775 /nfs/dbraw/zinc/36/57/75/442365775.db2.gz RCAOLWPCIBYPFK-INIZCTEOSA-N 2 1 348.447 1.214 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155167006 442379432 /nfs/dbraw/zinc/37/94/32/442379432.db2.gz BNCOVOOYKIWLPJ-PXNSSMCTSA-N 3 1 347.503 1.827 20 0 EDADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155167006 442379435 /nfs/dbraw/zinc/37/94/35/442379435.db2.gz BNCOVOOYKIWLPJ-PXNSSMCTSA-N 3 1 347.503 1.827 20 0 EDADMP CC(C)CN(C(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)C(C)C ZINC000171589088 442359924 /nfs/dbraw/zinc/35/99/24/442359924.db2.gz UCNCJDNPUWSMAK-QGZVFWFLSA-N 2 1 341.540 1.904 20 0 EDADMP O=C(C1CC[NH2+]CC1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000155680796 442419058 /nfs/dbraw/zinc/41/90/58/442419058.db2.gz QQELUTNPQFWIAT-UHFFFAOYSA-N 2 1 337.386 1.099 20 0 EDADMP C[C@H](C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)[NH+]1CCCCCC1 ZINC000172326507 442444628 /nfs/dbraw/zinc/44/46/28/442444628.db2.gz DODYFBQFOHYYIH-DLBZAZTESA-N 2 1 337.508 1.963 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000178873732 442510431 /nfs/dbraw/zinc/51/04/31/442510431.db2.gz AIPDANHKXGARCA-SFHVURJKSA-N 2 1 330.476 1.905 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cnns1 ZINC000192341833 442637045 /nfs/dbraw/zinc/63/70/45/442637045.db2.gz NBTGCYPOOXWNRK-GFCCVEGCSA-N 2 1 326.470 1.418 20 0 EDADMP C[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000136138975 442653258 /nfs/dbraw/zinc/65/32/58/442653258.db2.gz SWCRFLFMYMGNCM-INIZCTEOSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000136138975 442653259 /nfs/dbraw/zinc/65/32/59/442653259.db2.gz SWCRFLFMYMGNCM-INIZCTEOSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000180752799 442655807 /nfs/dbraw/zinc/65/58/07/442655807.db2.gz MPPXZFOOAAZOER-DLBZAZTESA-N 2 1 340.512 1.205 20 0 EDADMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2cccc(C[NH+](C)C)c2)cn1 ZINC000181375616 442693255 /nfs/dbraw/zinc/69/32/55/442693255.db2.gz HGQPSUOXJHVMLT-KRWDZBQOSA-N 2 1 327.432 1.268 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCCOCC1 ZINC000187193863 442659796 /nfs/dbraw/zinc/65/97/96/442659796.db2.gz WZACMYWAMYMCIX-INIZCTEOSA-N 2 1 326.485 1.272 20 0 EDADMP C[C@H]([NH3+])CCC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000193219564 442723515 /nfs/dbraw/zinc/72/35/15/442723515.db2.gz MAOCMLWTPZGUTK-LBPRGKRZSA-N 2 1 325.375 1.227 20 0 EDADMP CCCCO[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000181687467 442709805 /nfs/dbraw/zinc/70/98/05/442709805.db2.gz PRBCDMPBYJUCHP-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H](C)O1 ZINC000188733526 442799046 /nfs/dbraw/zinc/79/90/46/442799046.db2.gz UACACBYMBFCDMD-IHETXDGRSA-N 2 1 349.450 1.612 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H](C)O1 ZINC000188733526 442799049 /nfs/dbraw/zinc/79/90/49/442799049.db2.gz UACACBYMBFCDMD-IHETXDGRSA-N 2 1 349.450 1.612 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182331605 442757933 /nfs/dbraw/zinc/75/79/33/442757933.db2.gz VRIGPUPGXKKIQY-LJQANCHMSA-N 2 1 347.503 1.466 20 0 EDADMP CC[NH+]1CCN(CCCNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000265437392 442772542 /nfs/dbraw/zinc/77/25/42/442772542.db2.gz XPTRZGYTRJMVLU-GOSISDBHSA-N 2 1 346.519 1.651 20 0 EDADMP O=C([C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[NH+]2CCC1CC2 ZINC000188844216 442825861 /nfs/dbraw/zinc/82/58/61/442825861.db2.gz BBIAZMDDSFDXKO-LJQANCHMSA-N 2 1 343.471 1.491 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000247373117 442850082 /nfs/dbraw/zinc/85/00/82/442850082.db2.gz FJLIUPFYPZMYDE-DLBZAZTESA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000247373117 442850085 /nfs/dbraw/zinc/85/00/85/442850085.db2.gz FJLIUPFYPZMYDE-DLBZAZTESA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)C[NH+]1CCOCC1 ZINC000183036367 442868479 /nfs/dbraw/zinc/86/84/79/442868479.db2.gz UOMDKSPJQUFGIL-BBWFWOEESA-N 2 1 338.496 1.080 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)C[NH+]1CCOCC1 ZINC000183036367 442868481 /nfs/dbraw/zinc/86/84/81/442868481.db2.gz UOMDKSPJQUFGIL-BBWFWOEESA-N 2 1 338.496 1.080 20 0 EDADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)C[NH+]1CCOCC1 ZINC000265679483 442876947 /nfs/dbraw/zinc/87/69/47/442876947.db2.gz DNTGDYSJDSXSLS-KRWDZBQOSA-N 2 1 345.487 1.981 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000268204711 442899114 /nfs/dbraw/zinc/89/91/14/442899114.db2.gz RWJFJIWGTZTBON-CXAGYDPISA-N 2 1 344.459 1.286 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@@H]1[NH+](C)C ZINC000268118253 442855045 /nfs/dbraw/zinc/85/50/45/442855045.db2.gz CABURDROFIXIBS-HIFRSBDPSA-N 2 1 336.505 1.698 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@@H]1[NH+](C)C ZINC000268118253 442855048 /nfs/dbraw/zinc/85/50/48/442855048.db2.gz CABURDROFIXIBS-HIFRSBDPSA-N 2 1 336.505 1.698 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)Nc2ccc3nc(C)cn3c2)C[C@H]1C ZINC000265738452 442901640 /nfs/dbraw/zinc/90/16/40/442901640.db2.gz VAEHPEVTNNEOFY-CQSZACIVSA-N 2 1 331.420 1.827 20 0 EDADMP COCC[N@H+]1CCN(C(=O)Nc2ccc3nc(C)cn3c2)C[C@H]1C ZINC000265738452 442901644 /nfs/dbraw/zinc/90/16/44/442901644.db2.gz VAEHPEVTNNEOFY-CQSZACIVSA-N 2 1 331.420 1.827 20 0 EDADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3OCC(=O)NCC3CC3)C[C@@H]2C1 ZINC000194535525 442911232 /nfs/dbraw/zinc/91/12/32/442911232.db2.gz YUWXKJVQYAUOMA-HDICACEKSA-N 2 1 343.471 1.585 20 0 EDADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3OCC(=O)NCC3CC3)C[C@@H]2C1 ZINC000194535525 442911234 /nfs/dbraw/zinc/91/12/34/442911234.db2.gz YUWXKJVQYAUOMA-HDICACEKSA-N 2 1 343.471 1.585 20 0 EDADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3OCC(=O)NCC3CC3)C[C@@H]2C1 ZINC000194535525 442911239 /nfs/dbraw/zinc/91/12/39/442911239.db2.gz YUWXKJVQYAUOMA-HDICACEKSA-N 2 1 343.471 1.585 20 0 EDADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3OCC(=O)NCC3CC3)C[C@@H]2C1 ZINC000194535525 442911240 /nfs/dbraw/zinc/91/12/40/442911240.db2.gz YUWXKJVQYAUOMA-HDICACEKSA-N 2 1 343.471 1.585 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(C)=O)c[nH]1 ZINC000194872929 442963719 /nfs/dbraw/zinc/96/37/19/442963719.db2.gz DXAOBVWVLQZCGK-MRXNPFEDSA-N 2 1 334.464 1.705 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000195039253 442978482 /nfs/dbraw/zinc/97/84/82/442978482.db2.gz LKGGYUBYFKTQAV-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCOCC(F)F)CC2)CC1 ZINC000189666440 442991580 /nfs/dbraw/zinc/99/15/80/442991580.db2.gz OBWLBMKVBZUQOR-UHFFFAOYSA-N 2 1 333.423 1.144 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000268899527 443141619 /nfs/dbraw/zinc/14/16/19/443141619.db2.gz LXAPHZHGMRBBCM-INIZCTEOSA-N 2 1 341.459 1.687 20 0 EDADMP COC(=O)[C@]1(C)CC[N@@H+](C/C=C\C[NH+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000255737861 443109183 /nfs/dbraw/zinc/10/91/83/443109183.db2.gz TVGLESDTEDHDFY-SPCWZHTESA-N 2 1 338.448 1.313 20 0 EDADMP COC(=O)[C@]1(C)CC[NH+](C/C=C\C[N@@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000255737861 443109186 /nfs/dbraw/zinc/10/91/86/443109186.db2.gz TVGLESDTEDHDFY-SPCWZHTESA-N 2 1 338.448 1.313 20 0 EDADMP COC(=O)[C@]1(C)CC[NH+](C/C=C\C[N@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000255737861 443109189 /nfs/dbraw/zinc/10/91/89/443109189.db2.gz TVGLESDTEDHDFY-SPCWZHTESA-N 2 1 338.448 1.313 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000268801636 443112999 /nfs/dbraw/zinc/11/29/99/443112999.db2.gz JLYWPIYPBVOCKQ-AZUAARDMSA-N 4 1 345.535 1.914 20 0 EDADMP CCN1CC[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000268801636 443113003 /nfs/dbraw/zinc/11/30/03/443113003.db2.gz JLYWPIYPBVOCKQ-AZUAARDMSA-N 4 1 345.535 1.914 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)C[NH2+]C3CC3)CC[N@H+]2C2CC2)c1 ZINC000237554100 443175480 /nfs/dbraw/zinc/17/54/80/443175480.db2.gz HEQCLMLQLKARBD-MJGOQNOKSA-N 2 1 329.444 1.841 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CCC[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000237544582 443175797 /nfs/dbraw/zinc/17/57/97/443175797.db2.gz PJBLRLMJZZBYEO-FGTMMUONSA-N 2 1 329.444 1.841 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CCC[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000237544582 443175798 /nfs/dbraw/zinc/17/57/98/443175798.db2.gz PJBLRLMJZZBYEO-FGTMMUONSA-N 2 1 329.444 1.841 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185329076 443183368 /nfs/dbraw/zinc/18/33/68/443183368.db2.gz TZVHNTROSLGHNO-INIZCTEOSA-N 2 1 341.544 1.432 20 0 EDADMP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000237923180 443188542 /nfs/dbraw/zinc/18/85/42/443188542.db2.gz XKPNWLZMVGJVNO-GOSISDBHSA-N 2 1 337.508 1.870 20 0 EDADMP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000269235358 443244501 /nfs/dbraw/zinc/24/45/01/443244501.db2.gz GHTCZVWUPTUAJR-QZTJIDSGSA-N 2 1 331.460 1.046 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)COC1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185726321 443245321 /nfs/dbraw/zinc/24/53/21/443245321.db2.gz ZZFRILUEBGAUMQ-JZXOWHBKSA-N 2 1 340.508 1.786 20 0 EDADMP C[C@H]1COCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000359979618 319115026 /nfs/dbraw/zinc/11/50/26/319115026.db2.gz ULLNESLDNFUYDS-QGZVFWFLSA-N 2 1 345.487 1.867 20 0 EDADMP C[C@H]1COCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000359979618 319115029 /nfs/dbraw/zinc/11/50/29/319115029.db2.gz ULLNESLDNFUYDS-QGZVFWFLSA-N 2 1 345.487 1.867 20 0 EDADMP [NH3+]CC1(O)CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000397072224 319133725 /nfs/dbraw/zinc/13/37/25/319133725.db2.gz ZYPSSIDUUZPRBR-UHFFFAOYSA-N 2 1 346.212 1.577 20 0 EDADMP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000411376672 319180909 /nfs/dbraw/zinc/18/09/09/319180909.db2.gz BFBQPADRCTVQFG-DLBZAZTESA-N 2 1 337.533 1.901 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@H+]2C)Cc2ccccc2C1 ZINC000266817965 443254866 /nfs/dbraw/zinc/25/48/66/443254866.db2.gz XFJKXTXJLSMAJY-QGZVFWFLSA-N 2 1 330.476 1.479 20 0 EDADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000264221192 443255447 /nfs/dbraw/zinc/25/54/47/443255447.db2.gz JYCIIDVDSSHOPY-VQIMIIECSA-N 2 1 344.503 1.574 20 0 EDADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000264221192 443255448 /nfs/dbraw/zinc/25/54/48/443255448.db2.gz JYCIIDVDSSHOPY-VQIMIIECSA-N 2 1 344.503 1.574 20 0 EDADMP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000413820248 319291588 /nfs/dbraw/zinc/29/15/88/319291588.db2.gz SOTRQDJLLUVLMZ-GOSISDBHSA-N 2 1 330.476 1.916 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000413820248 319291590 /nfs/dbraw/zinc/29/15/90/319291590.db2.gz SOTRQDJLLUVLMZ-GOSISDBHSA-N 2 1 330.476 1.916 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)C1 ZINC000414682721 319341720 /nfs/dbraw/zinc/34/17/20/319341720.db2.gz AIANMPIQZVWCFD-OALUTQOASA-N 2 1 345.487 1.865 20 0 EDADMP c1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414776334 319343807 /nfs/dbraw/zinc/34/38/07/319343807.db2.gz HBHKIVWIBUHVKN-GJZGRUSLSA-N 2 1 336.505 1.801 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000415176900 319347371 /nfs/dbraw/zinc/34/73/71/319347371.db2.gz YNYORJRFKVDPNL-WBVHZDCISA-N 2 1 344.459 1.287 20 0 EDADMP [NH3+]CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000415996183 319388179 /nfs/dbraw/zinc/38/81/79/319388179.db2.gz OMPVPDUECBEMEB-KGLIPLIRSA-N 2 1 344.381 1.840 20 0 EDADMP CC(C)C[C@@H](CNC(=O)Nc1ncccc1C[NH3+])[NH+]1CCOCC1 ZINC000415999486 319388726 /nfs/dbraw/zinc/38/87/26/319388726.db2.gz VQURLIGFRFJRTI-HNNXBMFYSA-N 2 1 335.452 1.409 20 0 EDADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@@H](C)O1 ZINC000246017204 443262846 /nfs/dbraw/zinc/26/28/46/443262846.db2.gz JEMQHEXGJKSMKL-QBPKDAKJSA-N 2 1 346.537 1.821 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000264479879 443305449 /nfs/dbraw/zinc/30/54/49/443305449.db2.gz HPGBBIXKHWJTQA-GOSISDBHSA-N 2 1 331.460 1.733 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CCC[NH2+][C@H]1C)[NH+](C)C ZINC000416851852 319466602 /nfs/dbraw/zinc/46/66/02/319466602.db2.gz RRIUOGNJPRMPEA-BPUTZDHNSA-N 2 1 334.464 1.738 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000416851496 319466769 /nfs/dbraw/zinc/46/67/69/319466769.db2.gz RDKKSXYUBKZGPW-GDBMZVCRSA-N 2 1 334.464 1.691 20 0 EDADMP CC(C)[C@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[NH+]1CCOCC1 ZINC000416935305 319478553 /nfs/dbraw/zinc/47/85/53/319478553.db2.gz GDBFUDOXUCKXBW-QAPCUYQASA-N 2 1 348.491 1.862 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)Cc2ccccc2C1 ZINC000278976068 443478690 /nfs/dbraw/zinc/47/86/90/443478690.db2.gz CXKJRAIZDTTYMD-SFHVURJKSA-N 2 1 327.472 1.829 20 0 EDADMP C[N@@H+](CCO)C1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000282992719 443490029 /nfs/dbraw/zinc/49/00/29/443490029.db2.gz FBMMQONAZWZOCA-KRWDZBQOSA-N 2 1 345.487 1.537 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423395843 319770859 /nfs/dbraw/zinc/77/08/59/319770859.db2.gz SYKWKOLMRSWZFA-UMVBOHGHSA-N 2 1 325.478 1.728 20 0 EDADMP CO[C@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000267760142 443568020 /nfs/dbraw/zinc/56/80/20/443568020.db2.gz FNDQNIUQBGHHCI-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@H]1CC[N@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000267760142 443568024 /nfs/dbraw/zinc/56/80/24/443568024.db2.gz FNDQNIUQBGHHCI-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@H]1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000267760142 443568027 /nfs/dbraw/zinc/56/80/27/443568027.db2.gz FNDQNIUQBGHHCI-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@H]1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000267760142 443568032 /nfs/dbraw/zinc/56/80/32/443568032.db2.gz FNDQNIUQBGHHCI-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[NH+](C)C[C@H]43)cc2C1 ZINC000272292012 443582151 /nfs/dbraw/zinc/58/21/51/443582151.db2.gz FLFUCQYNNFVQLO-SUMWQHHRSA-N 2 1 342.443 1.123 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[NH+](C)C[C@H]43)cc2C1 ZINC000272292012 443582152 /nfs/dbraw/zinc/58/21/52/443582152.db2.gz FLFUCQYNNFVQLO-SUMWQHHRSA-N 2 1 342.443 1.123 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)cc2C1 ZINC000272292012 443582153 /nfs/dbraw/zinc/58/21/53/443582153.db2.gz FLFUCQYNNFVQLO-SUMWQHHRSA-N 2 1 342.443 1.123 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cc2C1 ZINC000272292012 443582154 /nfs/dbraw/zinc/58/21/54/443582154.db2.gz FLFUCQYNNFVQLO-SUMWQHHRSA-N 2 1 342.443 1.123 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C[C@H]3CC[NH2+]C3)CC2)oc1C ZINC000427292802 319895900 /nfs/dbraw/zinc/89/59/00/319895900.db2.gz USTCCFOHKJSKJR-MRXNPFEDSA-N 2 1 334.464 1.619 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000438078366 320032733 /nfs/dbraw/zinc/03/27/33/320032733.db2.gz NGPYCTAUAHAHBM-OAHLLOKOSA-N 2 1 334.464 1.637 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000439355798 320046283 /nfs/dbraw/zinc/04/62/83/320046283.db2.gz JKGYTRWDYGDMIG-HNNXBMFYSA-N 2 1 346.475 1.282 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000440272858 320067935 /nfs/dbraw/zinc/06/79/35/320067935.db2.gz QACQHGYDDRZOMP-AEFFLSMTSA-N 2 1 335.492 1.574 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000440272588 320068310 /nfs/dbraw/zinc/06/83/10/320068310.db2.gz UKNPRQYZQRNPCQ-GOSISDBHSA-N 2 1 335.492 1.717 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)CN1c1cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)ncn1 ZINC000443522434 320108365 /nfs/dbraw/zinc/10/83/65/320108365.db2.gz LZFBKUYCJPDCJY-GEEKYZPCSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(N2C[C@H](C)[NH+](C)C[C@@H]2C)ncn1 ZINC000443522434 320108368 /nfs/dbraw/zinc/10/83/68/320108368.db2.gz LZFBKUYCJPDCJY-GEEKYZPCSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(N2C[C@H](C)[NH+](C)C[C@@H]2C)ncn1 ZINC000443522434 320108369 /nfs/dbraw/zinc/10/83/69/320108369.db2.gz LZFBKUYCJPDCJY-GEEKYZPCSA-N 2 1 332.496 1.534 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000449363832 320184405 /nfs/dbraw/zinc/18/44/05/320184405.db2.gz PHJMLDHHKLAEBZ-YSHGAJCASA-N 2 1 345.487 1.638 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000449363832 320184407 /nfs/dbraw/zinc/18/44/07/320184407.db2.gz PHJMLDHHKLAEBZ-YSHGAJCASA-N 2 1 345.487 1.638 20 0 EDADMP O=c1ccc(Br)cn1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449376439 320185300 /nfs/dbraw/zinc/18/53/00/320185300.db2.gz LNGSZFNMMZKXPN-UONOGXRCSA-N 2 1 340.265 1.827 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)cc2)CC1 ZINC000453043392 320260852 /nfs/dbraw/zinc/26/08/52/320260852.db2.gz XAEGMVMMCZDTLI-PKOBYXMFSA-N 2 1 342.487 1.605 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000457613653 320331243 /nfs/dbraw/zinc/33/12/43/320331243.db2.gz WDWRECRNTVABGB-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000457613653 320331244 /nfs/dbraw/zinc/33/12/44/320331244.db2.gz WDWRECRNTVABGB-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP CC[C@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000457628069 320331997 /nfs/dbraw/zinc/33/19/97/320331997.db2.gz ULPFXGSUNUJPSG-LPHOPBHVSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCS(=O)(=O)N(C)C)C2)[nH+]1 ZINC000286360735 443698093 /nfs/dbraw/zinc/69/80/93/443698093.db2.gz JJUCEIOFCXPQHU-AWEZNQCLSA-N 2 1 326.466 1.015 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCS(=O)(=O)N(C)C)C2)[nH+]1 ZINC000286360735 443698096 /nfs/dbraw/zinc/69/80/96/443698096.db2.gz JJUCEIOFCXPQHU-AWEZNQCLSA-N 2 1 326.466 1.015 20 0 EDADMP CC[NH+]1CCN(c2cccc(N[C@@H]3CC[N@@H+](CCOC)C3)c2)CC1 ZINC000276436214 443704677 /nfs/dbraw/zinc/70/46/77/443704677.db2.gz QSJOVQQOKYDFEK-GOSISDBHSA-N 2 1 332.492 1.961 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N3CCC[NH2+]CC3)CC2)nc(C)[nH+]1 ZINC000520375597 320477563 /nfs/dbraw/zinc/47/75/63/320477563.db2.gz SPLKZPQEKXBBDB-UHFFFAOYSA-N 2 1 332.452 1.067 20 0 EDADMP COC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)n(C)c1C ZINC000291082630 443747455 /nfs/dbraw/zinc/74/74/55/443747455.db2.gz VLSVHTJFMSHDMR-AWEZNQCLSA-N 2 1 337.464 1.711 20 0 EDADMP COC(=O)c1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)n(C)c1C ZINC000291082630 443747457 /nfs/dbraw/zinc/74/74/57/443747457.db2.gz VLSVHTJFMSHDMR-AWEZNQCLSA-N 2 1 337.464 1.711 20 0 EDADMP CN(CCC[N@@H+](C)CCC(=O)Nc1cccc(F)c1)CC[NH+](C)C ZINC000298407121 443763136 /nfs/dbraw/zinc/76/31/36/443763136.db2.gz FJSZADKNBXLFJN-UHFFFAOYSA-N 2 1 338.471 1.970 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000284994198 443812306 /nfs/dbraw/zinc/81/23/06/443812306.db2.gz LTHLDLCRRDQMOA-INIZCTEOSA-N 2 1 348.491 1.081 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1)C1CC1 ZINC000293152239 443938160 /nfs/dbraw/zinc/93/81/60/443938160.db2.gz DVZRELNCKNFMRO-GOSISDBHSA-N 2 1 336.451 1.962 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1)C1CC1 ZINC000293152239 443938164 /nfs/dbraw/zinc/93/81/64/443938164.db2.gz DVZRELNCKNFMRO-GOSISDBHSA-N 2 1 336.451 1.962 20 0 EDADMP COCC[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000299155783 443970103 /nfs/dbraw/zinc/97/01/03/443970103.db2.gz OLUNNIJHGPXAIX-UHFFFAOYSA-N 2 1 345.487 1.689 20 0 EDADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285419825 443978285 /nfs/dbraw/zinc/97/82/85/443978285.db2.gz DPJAMOGQQQMTLT-IBGZPJMESA-N 2 1 344.459 1.430 20 0 EDADMP CNC(=O)NC(=O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285419825 443978290 /nfs/dbraw/zinc/97/82/90/443978290.db2.gz DPJAMOGQQQMTLT-IBGZPJMESA-N 2 1 344.459 1.430 20 0 EDADMP CNC(=O)NC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285419825 443978294 /nfs/dbraw/zinc/97/82/94/443978294.db2.gz DPJAMOGQQQMTLT-IBGZPJMESA-N 2 1 344.459 1.430 20 0 EDADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)nn1C ZINC000282047126 444071965 /nfs/dbraw/zinc/07/19/65/444071965.db2.gz GGSCHYRNUYTULS-HNNXBMFYSA-N 2 1 343.475 1.871 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000299481052 444058964 /nfs/dbraw/zinc/05/89/64/444058964.db2.gz DLKNXSMTEASEIM-MRXNPFEDSA-N 2 1 333.411 1.933 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000561013274 321031485 /nfs/dbraw/zinc/03/14/85/321031485.db2.gz IKFMILJAKBKBSK-HNNXBMFYSA-N 2 1 340.512 1.166 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000561013274 321031486 /nfs/dbraw/zinc/03/14/86/321031486.db2.gz IKFMILJAKBKBSK-HNNXBMFYSA-N 2 1 340.512 1.166 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000561013274 321031488 /nfs/dbraw/zinc/03/14/88/321031488.db2.gz IKFMILJAKBKBSK-HNNXBMFYSA-N 2 1 340.512 1.166 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C)OC[C@@H]3C)CC2)CC1 ZINC000561118076 321033663 /nfs/dbraw/zinc/03/36/63/321033663.db2.gz GWZJRXUPADUZNA-HOTGVXAUSA-N 2 1 337.508 1.819 20 0 EDADMP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000562365079 321054179 /nfs/dbraw/zinc/05/41/79/321054179.db2.gz HCSGEVPKPOXMSX-SJORKVTESA-N 2 1 331.460 1.400 20 0 EDADMP CN(CCC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)c1cc[nH+]cc1 ZINC000562465177 321059283 /nfs/dbraw/zinc/05/92/83/321059283.db2.gz KWTVEXFGSNKHER-UHFFFAOYSA-N 2 1 333.480 1.050 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000562991979 321086467 /nfs/dbraw/zinc/08/64/67/321086467.db2.gz HJPLASJBVFKPOB-ZWKOTPCHSA-N 2 1 332.492 1.895 20 0 EDADMP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)o1 ZINC000565047713 321166688 /nfs/dbraw/zinc/16/66/88/321166688.db2.gz WAWJILFFOGHKNF-OAHLLOKOSA-N 2 1 342.443 1.937 20 0 EDADMP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000566000507 321209614 /nfs/dbraw/zinc/20/96/14/321209614.db2.gz GBHLIFONQGJJPH-STQMWFEESA-N 2 1 333.461 1.839 20 0 EDADMP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000566000507 321209615 /nfs/dbraw/zinc/20/96/15/321209615.db2.gz GBHLIFONQGJJPH-STQMWFEESA-N 2 1 333.461 1.839 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000567846103 321262522 /nfs/dbraw/zinc/26/25/22/321262522.db2.gz WKEMWMUPQZLNBP-GDBMZVCRSA-N 2 1 333.480 1.266 20 0 EDADMP CCCc1ccc([C@@H](C)[N@H+](CCN2CC[NH2+]CC2)CC(N)=O)cc1 ZINC000567896987 321267183 /nfs/dbraw/zinc/26/71/83/321267183.db2.gz HZTUMGMQYUSACU-MRXNPFEDSA-N 2 1 332.492 1.393 20 0 EDADMP CCCc1ccc([C@@H](C)[N@@H+](CCN2CC[NH2+]CC2)CC(N)=O)cc1 ZINC000567896987 321267184 /nfs/dbraw/zinc/26/71/84/321267184.db2.gz HZTUMGMQYUSACU-MRXNPFEDSA-N 2 1 332.492 1.393 20 0 EDADMP Cc1ccc(OC[C@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)c(C)c1 ZINC000569455605 321326134 /nfs/dbraw/zinc/32/61/34/321326134.db2.gz ACYSDOULIVGJAJ-GOSISDBHSA-N 2 1 336.476 1.480 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000570942587 321365655 /nfs/dbraw/zinc/36/56/55/321365655.db2.gz KYPOCAOYINSBEF-MOPGFXCFSA-N 2 1 344.503 1.944 20 0 EDADMP CN(C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000289423195 444139200 /nfs/dbraw/zinc/13/92/00/444139200.db2.gz QTTMGLVHNUJODE-AABGKKOBSA-N 2 1 347.503 1.445 20 0 EDADMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000289423195 444139203 /nfs/dbraw/zinc/13/92/03/444139203.db2.gz QTTMGLVHNUJODE-AABGKKOBSA-N 2 1 347.503 1.445 20 0 EDADMP CN(C[C@@H](O)C[NH+](C)C1CC1)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000289423195 444139205 /nfs/dbraw/zinc/13/92/05/444139205.db2.gz QTTMGLVHNUJODE-AABGKKOBSA-N 2 1 347.503 1.445 20 0 EDADMP CN(C[C@@H](O)C[NH+](C)C1CC1)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289423195 444139208 /nfs/dbraw/zinc/13/92/08/444139208.db2.gz QTTMGLVHNUJODE-AABGKKOBSA-N 2 1 347.503 1.445 20 0 EDADMP [NH3+]C1(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CCCCC1 ZINC000574666557 321494710 /nfs/dbraw/zinc/49/47/10/321494710.db2.gz OCCDAHMCBKPJGI-JKSUJKDBSA-N 2 1 338.496 1.591 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(C(N)=O)cs1 ZINC000289563779 444172636 /nfs/dbraw/zinc/17/26/36/444172636.db2.gz YVXHVCAFEHNFAC-OAHLLOKOSA-N 2 1 338.521 1.695 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000289562575 444172820 /nfs/dbraw/zinc/17/28/20/444172820.db2.gz CTTRRBBYNZCILB-SCLBCKFNSA-N 2 1 349.500 1.785 20 0 EDADMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cnn4ccccc34)CC2)CC1 ZINC000289699502 444192425 /nfs/dbraw/zinc/19/24/25/444192425.db2.gz GACJATZERRLTGX-UHFFFAOYSA-N 2 1 341.459 1.320 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000289742145 444197591 /nfs/dbraw/zinc/19/75/91/444197591.db2.gz HFANHVREUULUHI-CVEARBPZSA-N 2 1 333.432 1.048 20 0 EDADMP C[N@@H+](CCCNC(=O)C(C)(C)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000305216586 444265814 /nfs/dbraw/zinc/26/58/14/444265814.db2.gz FCCZRAJNLQWGSR-UHFFFAOYSA-N 2 1 332.492 1.309 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000310562116 444291962 /nfs/dbraw/zinc/29/19/62/444291962.db2.gz WBHXMHQASMJICS-OALUTQOASA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310562116 444291963 /nfs/dbraw/zinc/29/19/63/444291963.db2.gz WBHXMHQASMJICS-OALUTQOASA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310562116 444291964 /nfs/dbraw/zinc/29/19/64/444291964.db2.gz WBHXMHQASMJICS-OALUTQOASA-N 2 1 335.492 1.132 20 0 EDADMP CC[C@H]1CN(C(=O)NCc2ccc3c[nH+]cn3c2)CC[N@H+]1C[C@@H](C)O ZINC000297569650 444302598 /nfs/dbraw/zinc/30/25/98/444302598.db2.gz QLVNRMOIPBVAML-ZBFHGGJFSA-N 2 1 345.447 1.321 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](C)C[NH+](C)C)CC2)CC1 ZINC000578205352 321738493 /nfs/dbraw/zinc/73/84/93/321738493.db2.gz OAYCMXGGKUHFHW-MRXNPFEDSA-N 3 1 338.540 1.497 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C[NH+](C)[C@H]2CCSC2)C1 ZINC000339971126 444346810 /nfs/dbraw/zinc/34/68/10/444346810.db2.gz HXJMVHINUDNXNO-XHSDSOJGSA-N 2 1 327.538 1.908 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000339971126 444346814 /nfs/dbraw/zinc/34/68/14/444346814.db2.gz HXJMVHINUDNXNO-XHSDSOJGSA-N 2 1 327.538 1.908 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000339971126 444346816 /nfs/dbraw/zinc/34/68/16/444346816.db2.gz HXJMVHINUDNXNO-XHSDSOJGSA-N 2 1 327.538 1.908 20 0 EDADMP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000325311031 444364411 /nfs/dbraw/zinc/36/44/11/444364411.db2.gz XFCIKHNUADYAAJ-ARFHVFGLSA-N 2 1 339.480 1.298 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](CO)CC3CCCC3)cn2)CC1 ZINC000337812572 444418777 /nfs/dbraw/zinc/41/87/77/444418777.db2.gz NAYYNXXFPFFSRU-KRWDZBQOSA-N 2 1 333.480 1.259 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000580053736 322002311 /nfs/dbraw/zinc/00/23/11/322002311.db2.gz LBLCTASWJYXUEW-HUUCEWRRSA-N 2 1 326.485 1.447 20 0 EDADMP CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@H]2C1 ZINC000580111471 322011270 /nfs/dbraw/zinc/01/12/70/322011270.db2.gz RUZKVHOPSKWNPI-DLBZAZTESA-N 2 1 332.448 1.084 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@H]2C1 ZINC000580111471 322011273 /nfs/dbraw/zinc/01/12/73/322011273.db2.gz RUZKVHOPSKWNPI-DLBZAZTESA-N 2 1 332.448 1.084 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)C[N@H+]3CC[C@H](C)C3)CCCC2)CC1 ZINC000581021041 322126138 /nfs/dbraw/zinc/12/61/38/322126138.db2.gz QZXPYMRYMMFOEY-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP O=C(N[C@H]1CCN(c2ccccn2)C1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000332702114 444529430 /nfs/dbraw/zinc/52/94/30/444529430.db2.gz SZVODLFKUVOUPM-HOTGVXAUSA-N 2 1 343.475 1.976 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000332829670 444566486 /nfs/dbraw/zinc/56/64/86/444566486.db2.gz ODPBTPLPRHGOGK-GPMSIDNRSA-N 2 1 345.487 1.742 20 0 EDADMP C[C@@H]1CCCN1C(=O)CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343719054 444543289 /nfs/dbraw/zinc/54/32/89/444543289.db2.gz UAHQINKOXJCPLO-SJORKVTESA-N 2 1 336.524 1.488 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[NH+](C2CCCC2)CC1)[C@@H]1CCSC1 ZINC000343733366 444552033 /nfs/dbraw/zinc/55/20/33/444552033.db2.gz NWFKKINDONWNCJ-MRXNPFEDSA-N 2 1 325.522 1.901 20 0 EDADMP C[NH+](CC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H]1CCSC1 ZINC000343733366 444552035 /nfs/dbraw/zinc/55/20/35/444552035.db2.gz NWFKKINDONWNCJ-MRXNPFEDSA-N 2 1 325.522 1.901 20 0 EDADMP C[NH+](CC(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H]1CCSC1 ZINC000343733366 444552037 /nfs/dbraw/zinc/55/20/37/444552037.db2.gz NWFKKINDONWNCJ-MRXNPFEDSA-N 2 1 325.522 1.901 20 0 EDADMP c1ncc(N2CC[NH+]3CCC[C@H]3C2)nc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000342246442 444586277 /nfs/dbraw/zinc/58/62/77/444586277.db2.gz RLEKQCGQJZQPBY-IYBDPMFKSA-N 2 1 328.464 1.045 20 0 EDADMP c1ncc(N2CC[N@@H+]3CCC[C@H]3C2)nc1N1CC[NH+]2CCC[C@@H]2C1 ZINC000342246442 444586279 /nfs/dbraw/zinc/58/62/79/444586279.db2.gz RLEKQCGQJZQPBY-IYBDPMFKSA-N 2 1 328.464 1.045 20 0 EDADMP c1ncc(N2CC[N@H+]3CCC[C@H]3C2)nc1N1CC[NH+]2CCC[C@@H]2C1 ZINC000342246442 444586281 /nfs/dbraw/zinc/58/62/81/444586281.db2.gz RLEKQCGQJZQPBY-IYBDPMFKSA-N 2 1 328.464 1.045 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338269956 444601217 /nfs/dbraw/zinc/60/12/17/444601217.db2.gz JDKVAYNOTWGYGU-KURKYZTESA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000340968938 444606185 /nfs/dbraw/zinc/60/61/85/444606185.db2.gz ZIWNHSNFOCBZNJ-XHSDSOJGSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000340968938 444606189 /nfs/dbraw/zinc/60/61/89/444606189.db2.gz ZIWNHSNFOCBZNJ-XHSDSOJGSA-N 2 1 326.485 1.125 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000338283150 444611035 /nfs/dbraw/zinc/61/10/35/444611035.db2.gz HFYDESDXJHASDD-INMHGKMJSA-N 2 1 341.521 1.217 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000338283150 444611039 /nfs/dbraw/zinc/61/10/39/444611039.db2.gz HFYDESDXJHASDD-INMHGKMJSA-N 2 1 341.521 1.217 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000338283150 444611042 /nfs/dbraw/zinc/61/10/42/444611042.db2.gz HFYDESDXJHASDD-INMHGKMJSA-N 2 1 341.521 1.217 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000342288866 444615281 /nfs/dbraw/zinc/61/52/81/444615281.db2.gz ADMJCIGYCKJOHO-IRXDYDNUSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000342349053 444646043 /nfs/dbraw/zinc/64/60/43/444646043.db2.gz QKRSJIOTSUPBGW-MAUKXSAKSA-N 2 1 345.491 1.638 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)C1CC1 ZINC000338477603 444713441 /nfs/dbraw/zinc/71/34/41/444713441.db2.gz NCWQVFCKNSYMMI-QGZVFWFLSA-N 2 1 339.528 1.042 20 0 EDADMP CC[N@H+](CCNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)C1CC1 ZINC000338477603 444713443 /nfs/dbraw/zinc/71/34/43/444713443.db2.gz NCWQVFCKNSYMMI-QGZVFWFLSA-N 2 1 339.528 1.042 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)C1CC1 ZINC000338477603 444713444 /nfs/dbraw/zinc/71/34/44/444713444.db2.gz NCWQVFCKNSYMMI-QGZVFWFLSA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333917859 444718076 /nfs/dbraw/zinc/71/80/76/444718076.db2.gz NYOBFULLIHWXJO-GVDBMIGSSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](O)[C@H]1CCN(c2cc(N3CC[N@H+]4CCCC[C@H]4C3)ncn2)C1 ZINC000334058129 444765386 /nfs/dbraw/zinc/76/53/86/444765386.db2.gz WXKMVJIXUJBFEK-JYJNAYRXSA-N 2 1 331.464 1.358 20 0 EDADMP C[C@H](O)[C@H]1CCN(c2cc(N3CCN4CCCC[C@H]4C3)ncn2)C1 ZINC000334058129 444765390 /nfs/dbraw/zinc/76/53/90/444765390.db2.gz WXKMVJIXUJBFEK-JYJNAYRXSA-N 2 1 331.464 1.358 20 0 EDADMP C[C@@H]1C[C@H](CO)CC[NH+]1CCOCC[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000344125558 444795529 /nfs/dbraw/zinc/79/55/29/444795529.db2.gz IAQXLRSWXOYMHY-USTZCAOPSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@@H]1C[C@H](CO)CC[N@H+]1CCOCC[NH+]1CC[C@H](CO)C[C@@H]1C ZINC000344125558 444795533 /nfs/dbraw/zinc/79/55/33/444795533.db2.gz IAQXLRSWXOYMHY-USTZCAOPSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@@H]1C[C@H](CO)CC[N@@H+]1CCOCC[NH+]1CC[C@H](CO)C[C@@H]1C ZINC000344125558 444795540 /nfs/dbraw/zinc/79/55/40/444795540.db2.gz IAQXLRSWXOYMHY-USTZCAOPSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000330000957 444805903 /nfs/dbraw/zinc/80/59/03/444805903.db2.gz XIWCKSVGACAWGV-QPSCCSFWSA-N 2 1 337.443 1.474 20 0 EDADMP C[C@@H]1C[C@H](CO)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000344174542 444822366 /nfs/dbraw/zinc/82/23/66/444822366.db2.gz QVLAFDGKHSNJGG-JFIYKMOQSA-N 2 1 333.476 1.498 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000342764509 444854471 /nfs/dbraw/zinc/85/44/71/444854471.db2.gz IONNNQBQHAIRRL-KBPBESRZSA-N 2 1 327.469 1.284 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342764273 444854854 /nfs/dbraw/zinc/85/48/54/444854854.db2.gz HARMNIPRNBGTCE-MJBXVCDLSA-N 2 1 327.469 1.140 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000341501349 444863470 /nfs/dbraw/zinc/86/34/70/444863470.db2.gz UBGANDZQJVSPDS-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCC[N@H+](C)[C@H]3C)CC2)c1 ZINC000344252049 444864189 /nfs/dbraw/zinc/86/41/89/444864189.db2.gz MWMMRZRQROUECI-JKSUJKDBSA-N 2 1 331.464 1.704 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)[C@H]3C)CC2)c1 ZINC000344252049 444864191 /nfs/dbraw/zinc/86/41/91/444864191.db2.gz MWMMRZRQROUECI-JKSUJKDBSA-N 2 1 331.464 1.704 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(C(C)C)cn1 ZINC000336957045 444874428 /nfs/dbraw/zinc/87/44/28/444874428.db2.gz WVMIJBOJRKUDDH-MRXNPFEDSA-N 2 1 335.496 1.952 20 0 EDADMP C[C@@]1(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000342710851 444828369 /nfs/dbraw/zinc/82/83/69/444828369.db2.gz LLZSCMYDHQBUDB-HXUWFJFHSA-N 2 1 344.503 1.310 20 0 EDADMP Cc1nc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(N(C)C)n1 ZINC000330197961 444883833 /nfs/dbraw/zinc/88/38/33/444883833.db2.gz SNXPLYVYEOVHIB-MRXNPFEDSA-N 2 1 326.448 2.323 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCC[N@@H+](C)[C@H]3C)CC2)c1 ZINC000344302118 444889090 /nfs/dbraw/zinc/88/90/90/444889090.db2.gz UNFCWPBNPMABQB-HOCLYGCPSA-N 2 1 347.463 1.405 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@H]3CCCOC3)c2)C1 ZINC000344405016 444945139 /nfs/dbraw/zinc/94/51/39/444945139.db2.gz GDSWIZHIBKTCLZ-RTBURBONSA-N 2 1 345.487 1.900 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCCCF ZINC000344405665 444945536 /nfs/dbraw/zinc/94/55/36/444945536.db2.gz GZBMIVURILCMHK-OAHLLOKOSA-N 2 1 337.505 1.414 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCCCF ZINC000344405665 444945539 /nfs/dbraw/zinc/94/55/39/444945539.db2.gz GZBMIVURILCMHK-OAHLLOKOSA-N 2 1 337.505 1.414 20 0 EDADMP C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000330421097 444974954 /nfs/dbraw/zinc/97/49/54/444974954.db2.gz FXIFJBQVAUXFIJ-YJBOKZPZSA-N 2 1 325.497 1.317 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000344473718 444998548 /nfs/dbraw/zinc/99/85/48/444998548.db2.gz GQOJBIMDTINQGX-DLBZAZTESA-N 2 1 340.512 1.110 20 0 EDADMP CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000341784066 445001089 /nfs/dbraw/zinc/00/10/89/445001089.db2.gz ZXQNDXSNGUMPQI-GOSISDBHSA-N 2 1 344.503 1.751 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000337362759 445048314 /nfs/dbraw/zinc/04/83/14/445048314.db2.gz JFGVKBCLIHWWFN-QGZVFWFLSA-N 2 1 340.512 1.374 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000344616502 445088462 /nfs/dbraw/zinc/08/84/62/445088462.db2.gz NKEGVLJSGXLFPZ-IRXDYDNUSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000344616502 445088464 /nfs/dbraw/zinc/08/84/64/445088464.db2.gz NKEGVLJSGXLFPZ-IRXDYDNUSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000344616502 445088465 /nfs/dbraw/zinc/08/84/65/445088465.db2.gz NKEGVLJSGXLFPZ-IRXDYDNUSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337560488 445137274 /nfs/dbraw/zinc/13/72/74/445137274.db2.gz SAOXZZKBLHKGFO-WMZOPIPTSA-N 2 1 345.491 1.782 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000339223555 445098340 /nfs/dbraw/zinc/09/83/40/445098340.db2.gz BVHCEURSFVNIQO-CVEARBPZSA-N 2 1 325.497 1.722 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC000342095673 445169596 /nfs/dbraw/zinc/16/95/96/445169596.db2.gz YJWQNCNMACUDRR-VHDGCEQUSA-N 2 1 331.416 1.456 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC000342095673 445169598 /nfs/dbraw/zinc/16/95/98/445169598.db2.gz YJWQNCNMACUDRR-VHDGCEQUSA-N 2 1 331.416 1.456 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2ccnn2C)CC1 ZINC000345040353 445157791 /nfs/dbraw/zinc/15/77/91/445157791.db2.gz YBNSETYZVRGJDP-LPHOPBHVSA-N 2 1 349.523 1.503 20 0 EDADMP Cc1cccc(OCCCNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342079967 445160377 /nfs/dbraw/zinc/16/03/77/445160377.db2.gz FKTDUTLEHAMLKL-YTQUADARSA-N 2 1 345.487 1.939 20 0 EDADMP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000343390674 445214515 /nfs/dbraw/zinc/21/45/15/445214515.db2.gz BWORILBBAMGQFS-MAUKXSAKSA-N 2 1 336.480 1.681 20 0 EDADMP COCCCNC(=O)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351640180 445254157 /nfs/dbraw/zinc/25/41/57/445254157.db2.gz SSVMUHLRGXCSOE-QGZVFWFLSA-N 2 1 325.497 1.726 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@H]1CCC[NH+]1C ZINC000347901158 445254407 /nfs/dbraw/zinc/25/44/07/445254407.db2.gz NBJSEBYEAWQZLU-USXIJHARSA-N 2 1 333.480 1.356 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000347901158 445254409 /nfs/dbraw/zinc/25/44/09/445254409.db2.gz NBJSEBYEAWQZLU-USXIJHARSA-N 2 1 333.480 1.356 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000347901158 445254414 /nfs/dbraw/zinc/25/44/14/445254414.db2.gz NBJSEBYEAWQZLU-USXIJHARSA-N 2 1 333.480 1.356 20 0 EDADMP C[C@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCC[N@H+]1C ZINC000343626014 445269413 /nfs/dbraw/zinc/26/94/13/445269413.db2.gz OJFFYKCJGPMUFB-MAUKXSAKSA-N 2 1 345.491 1.828 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000348201540 445314487 /nfs/dbraw/zinc/31/44/87/445314487.db2.gz PMKIDESLBFVIEU-CVEARBPZSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000348201540 445314488 /nfs/dbraw/zinc/31/44/88/445314488.db2.gz PMKIDESLBFVIEU-CVEARBPZSA-N 2 1 326.485 1.221 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000348570609 445329294 /nfs/dbraw/zinc/32/92/94/445329294.db2.gz PHGFKIUQEGZOAP-QGZVFWFLSA-N 2 1 339.528 1.186 20 0 EDADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000348570609 445329297 /nfs/dbraw/zinc/32/92/97/445329297.db2.gz PHGFKIUQEGZOAP-QGZVFWFLSA-N 2 1 339.528 1.186 20 0 EDADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000348570609 445329299 /nfs/dbraw/zinc/32/92/99/445329299.db2.gz PHGFKIUQEGZOAP-QGZVFWFLSA-N 2 1 339.528 1.186 20 0 EDADMP O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)NC1CC[NH+](C2CC2)CC1 ZINC000348294083 445341153 /nfs/dbraw/zinc/34/11/53/445341153.db2.gz SMYOYLJMTXAQGV-GOSISDBHSA-N 2 1 328.460 1.962 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)NC1CC[NH+](C2CC2)CC1 ZINC000348294083 445341157 /nfs/dbraw/zinc/34/11/57/445341157.db2.gz SMYOYLJMTXAQGV-GOSISDBHSA-N 2 1 328.460 1.962 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000351861929 445346131 /nfs/dbraw/zinc/34/61/31/445346131.db2.gz MMRKIQHLZAMXPM-CRAIPNDOSA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000351861929 445346133 /nfs/dbraw/zinc/34/61/33/445346133.db2.gz MMRKIQHLZAMXPM-CRAIPNDOSA-N 2 1 333.476 1.897 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000351863462 445346461 /nfs/dbraw/zinc/34/64/61/445346461.db2.gz UAYCYNRHWNEHKI-QWHCGFSZSA-N 2 1 325.840 1.504 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000351863462 445346463 /nfs/dbraw/zinc/34/64/63/445346463.db2.gz UAYCYNRHWNEHKI-QWHCGFSZSA-N 2 1 325.840 1.504 20 0 EDADMP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351864286 445347367 /nfs/dbraw/zinc/34/73/67/445347367.db2.gz XIERBBMGRUCCQS-SQWLQELKSA-N 2 1 328.460 1.884 20 0 EDADMP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351864286 445347368 /nfs/dbraw/zinc/34/73/68/445347368.db2.gz XIERBBMGRUCCQS-SQWLQELKSA-N 2 1 328.460 1.884 20 0 EDADMP C[C@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000348870928 445424763 /nfs/dbraw/zinc/42/47/63/445424763.db2.gz GKKFGKCVVKPVRW-QGZVFWFLSA-N 2 1 344.503 1.187 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000351924069 445379076 /nfs/dbraw/zinc/37/90/76/445379076.db2.gz CHXYXZCXFSKMMC-OAHLLOKOSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000348908589 445437306 /nfs/dbraw/zinc/43/73/06/445437306.db2.gz HCTJBFOFJCFJTF-QGZVFWFLSA-N 2 1 345.487 1.519 20 0 EDADMP C[C@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000348908589 445437310 /nfs/dbraw/zinc/43/73/10/445437310.db2.gz HCTJBFOFJCFJTF-QGZVFWFLSA-N 2 1 345.487 1.519 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362566021 445443300 /nfs/dbraw/zinc/44/33/00/445443300.db2.gz DVYCIXVZAIXHNT-CABCVRRESA-N 2 1 331.464 1.291 20 0 EDADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000362566021 445443306 /nfs/dbraw/zinc/44/33/06/445443306.db2.gz DVYCIXVZAIXHNT-CABCVRRESA-N 2 1 331.464 1.291 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000362566021 445443311 /nfs/dbraw/zinc/44/33/11/445443311.db2.gz DVYCIXVZAIXHNT-CABCVRRESA-N 2 1 331.464 1.291 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000362746248 445529680 /nfs/dbraw/zinc/52/96/80/445529680.db2.gz SYJPCUCGWWNBED-YJBOKZPZSA-N 2 1 333.476 1.831 20 0 EDADMP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000352102920 445493444 /nfs/dbraw/zinc/49/34/44/445493444.db2.gz VIFTZYLMCYOKFC-CRAIPNDOSA-N 2 1 348.491 1.113 20 0 EDADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000352112067 445499780 /nfs/dbraw/zinc/49/97/80/445499780.db2.gz QCSHVHBDLNXKLB-UYAOXDASSA-N 2 1 347.503 1.860 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000362799612 445555545 /nfs/dbraw/zinc/55/55/45/445555545.db2.gz WVKQVDUGDIFCST-DLBZAZTESA-N 2 1 345.491 1.612 20 0 EDADMP COCC[N@H+](C)CC[C@@H](NC(=O)[C@@H]1CSC[NH2+]1)c1ccccc1 ZINC000360204803 445627846 /nfs/dbraw/zinc/62/78/46/445627846.db2.gz OCRRMICAOKTQBB-CVEARBPZSA-N 2 1 337.489 1.475 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@@H]1CSC[NH2+]1)c1ccccc1 ZINC000360204803 445627848 /nfs/dbraw/zinc/62/78/48/445627848.db2.gz OCRRMICAOKTQBB-CVEARBPZSA-N 2 1 337.489 1.475 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521194 445631243 /nfs/dbraw/zinc/63/12/43/445631243.db2.gz XIRBWPLLINZPPK-AWEZNQCLSA-N 2 1 336.480 1.609 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358658422 445697595 /nfs/dbraw/zinc/69/75/95/445697595.db2.gz DZHIZGGHBAFLEU-HKUYNNGSSA-N 2 1 348.491 1.435 20 0 EDADMP CCOC(=O)[C@H](C)[N@H+](C)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000353678377 445703813 /nfs/dbraw/zinc/70/38/13/445703813.db2.gz SBKXGWLBXQWCJB-GJZGRUSLSA-N 2 1 333.432 1.897 20 0 EDADMP CCOC(=O)[C@H](C)[N@@H+](C)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000353678377 445703818 /nfs/dbraw/zinc/70/38/18/445703818.db2.gz SBKXGWLBXQWCJB-GJZGRUSLSA-N 2 1 333.432 1.897 20 0 EDADMP CC[C@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)OC ZINC000360594127 445716202 /nfs/dbraw/zinc/71/62/02/445716202.db2.gz CGQODLZVKCZSNB-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000349933645 445725772 /nfs/dbraw/zinc/72/57/72/445725772.db2.gz LWEQJSIBWUKJIU-SOLBZPMBSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000349933634 445725810 /nfs/dbraw/zinc/72/58/10/445725810.db2.gz LUBIPIHZNORTBK-OAGGEKHMSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000349933634 445725813 /nfs/dbraw/zinc/72/58/13/445725813.db2.gz LUBIPIHZNORTBK-OAGGEKHMSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000349933634 445725817 /nfs/dbraw/zinc/72/58/17/445725817.db2.gz LUBIPIHZNORTBK-OAGGEKHMSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000361466041 445773325 /nfs/dbraw/zinc/77/33/25/445773325.db2.gz UQCVVYCUKDSXKQ-QGZVFWFLSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2CCc3nccn3C2)C[C@H](C)O1 ZINC000363266774 445747130 /nfs/dbraw/zinc/74/71/30/445747130.db2.gz WCJSVXTUKWZKLH-ZNMIVQPWSA-N 2 1 334.464 1.450 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCc3nccn3C2)C[C@H](C)O1 ZINC000363266774 445747134 /nfs/dbraw/zinc/74/71/34/445747134.db2.gz WCJSVXTUKWZKLH-ZNMIVQPWSA-N 2 1 334.464 1.450 20 0 EDADMP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)nc2)CC1 ZINC000363316652 445762770 /nfs/dbraw/zinc/76/27/70/445762770.db2.gz NTJVYSXWWHFIKG-CVEARBPZSA-N 2 1 343.475 1.646 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)NCc2ccncc2OCCC[NH+](C)C)CC[N@H+]1C ZINC000356479890 445814319 /nfs/dbraw/zinc/81/43/19/445814319.db2.gz QLUIVMHLIRTSPV-CVEARBPZSA-N 2 1 348.491 1.759 20 0 EDADMP C[NH+](C)[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)c1ccccc1 ZINC000354076458 445889247 /nfs/dbraw/zinc/88/92/47/445889247.db2.gz SRURLAWWGBRIBY-INIZCTEOSA-N 2 1 327.432 2.028 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccnc(C[NH3+])c2)[C@H](C)C1 ZINC000361629027 445855909 /nfs/dbraw/zinc/85/59/09/445855909.db2.gz XGVCMYBZEKMURK-RHSMWYFYSA-N 2 1 334.464 1.407 20 0 EDADMP CC1CC[NH+](CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000363556306 445857451 /nfs/dbraw/zinc/85/74/51/445857451.db2.gz ATQXHOIQXMSRGR-BZSNNMDCSA-N 2 1 334.508 1.844 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000350986423 445965171 /nfs/dbraw/zinc/96/51/71/445965171.db2.gz JWFQKYYMLMFYDD-ZBFHGGJFSA-N 2 1 349.479 1.029 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@@]2([NH+](C)C)CCc3ccccc32)C1 ZINC000369170453 445966995 /nfs/dbraw/zinc/96/69/95/445966995.db2.gz UEKXJWJQYOCBEB-QFBILLFUSA-N 2 1 331.460 1.227 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@]2([NH+](C)C)CCc3ccccc32)C1 ZINC000369170453 445966999 /nfs/dbraw/zinc/96/69/99/445966999.db2.gz UEKXJWJQYOCBEB-QFBILLFUSA-N 2 1 331.460 1.227 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000354178206 445974142 /nfs/dbraw/zinc/97/41/42/445974142.db2.gz JYKBFHAQCBRSHU-IXDOHACOSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)C1 ZINC000354178206 445974147 /nfs/dbraw/zinc/97/41/47/445974147.db2.gz JYKBFHAQCBRSHU-IXDOHACOSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)C1 ZINC000354178206 445974154 /nfs/dbraw/zinc/97/41/54/445974154.db2.gz JYKBFHAQCBRSHU-IXDOHACOSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000373087796 446019008 /nfs/dbraw/zinc/01/90/08/446019008.db2.gz MURGCINXYPYGTP-QAPCUYQASA-N 2 1 334.439 1.015 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000354226979 446024056 /nfs/dbraw/zinc/02/40/56/446024056.db2.gz HDCZFPVDMZBDRG-HUUCEWRRSA-N 2 1 347.463 1.405 20 0 EDADMP CCn1ccnc1C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000583565012 326097123 /nfs/dbraw/zinc/09/71/23/326097123.db2.gz NBVHOAXWMXQAEM-QGZVFWFLSA-N 3 1 331.508 1.847 20 0 EDADMP CCn1ccnc1CN(CC1CC[NH2+]CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000583565012 326097125 /nfs/dbraw/zinc/09/71/25/326097125.db2.gz NBVHOAXWMXQAEM-QGZVFWFLSA-N 2 1 331.508 1.847 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000369304024 446059130 /nfs/dbraw/zinc/05/91/30/446059130.db2.gz WOCRYYLMGRGDOC-VVLHAWIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000369304024 446059137 /nfs/dbraw/zinc/05/91/37/446059137.db2.gz WOCRYYLMGRGDOC-VVLHAWIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000369304024 446059142 /nfs/dbraw/zinc/05/91/42/446059142.db2.gz WOCRYYLMGRGDOC-VVLHAWIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000369304024 446059147 /nfs/dbraw/zinc/05/91/47/446059147.db2.gz WOCRYYLMGRGDOC-VVLHAWIVSA-N 2 1 338.496 1.364 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000583807562 326143239 /nfs/dbraw/zinc/14/32/39/326143239.db2.gz QPCWQZQUOHGOPP-AEFFLSMTSA-N 2 1 334.460 1.950 20 0 EDADMP CCn1ccnc1CN1CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365245757 446098597 /nfs/dbraw/zinc/09/85/97/446098597.db2.gz WXLPOXQQCYVROU-MRXNPFEDSA-N 2 1 346.475 1.897 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCc3ccc(OC(F)F)cc3)C[C@@H]12 ZINC000351494548 446098580 /nfs/dbraw/zinc/09/85/80/446098580.db2.gz OFPJKYNXLXYZSG-NWANDNLSSA-N 2 1 339.386 1.573 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCc3ccc(OC(F)F)cc3)C[C@@H]12 ZINC000351494548 446098584 /nfs/dbraw/zinc/09/85/84/446098584.db2.gz OFPJKYNXLXYZSG-NWANDNLSSA-N 2 1 339.386 1.573 20 0 EDADMP COc1ccc(CN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C2CC2)cc1 ZINC000351494112 446099037 /nfs/dbraw/zinc/09/90/37/446099037.db2.gz NJMWYGJVOTYEQZ-SNRMKQJTSA-N 2 1 343.471 1.855 20 0 EDADMP COc1ccc(CN(C(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C2CC2)cc1 ZINC000351494112 446099039 /nfs/dbraw/zinc/09/90/39/446099039.db2.gz NJMWYGJVOTYEQZ-SNRMKQJTSA-N 2 1 343.471 1.855 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351498386 446103019 /nfs/dbraw/zinc/10/30/19/446103019.db2.gz VPUFTMZPTANQKI-DLKVLKDVSA-N 2 1 330.432 1.042 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351498386 446103023 /nfs/dbraw/zinc/10/30/23/446103023.db2.gz VPUFTMZPTANQKI-DLKVLKDVSA-N 2 1 330.432 1.042 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000366269995 446118344 /nfs/dbraw/zinc/11/83/44/446118344.db2.gz VRJWDWPJZBHGRX-WMZOPIPTSA-N 2 1 338.496 1.080 20 0 EDADMP CC[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000354417546 446190334 /nfs/dbraw/zinc/19/03/34/446190334.db2.gz CABKLWCILGBNJR-MSOLQXFVSA-N 2 1 333.476 1.686 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000351623073 446215964 /nfs/dbraw/zinc/21/59/64/446215964.db2.gz GJOURYBVBKHDPS-WKULXVSPSA-N 2 1 337.508 1.863 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351623073 446215968 /nfs/dbraw/zinc/21/59/68/446215968.db2.gz GJOURYBVBKHDPS-WKULXVSPSA-N 2 1 337.508 1.863 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351623073 446215972 /nfs/dbraw/zinc/21/59/72/446215972.db2.gz GJOURYBVBKHDPS-WKULXVSPSA-N 2 1 337.508 1.863 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351623073 446215975 /nfs/dbraw/zinc/21/59/75/446215975.db2.gz GJOURYBVBKHDPS-WKULXVSPSA-N 2 1 337.508 1.863 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351623073 446215977 /nfs/dbraw/zinc/21/59/77/446215977.db2.gz GJOURYBVBKHDPS-WKULXVSPSA-N 2 1 337.508 1.863 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000373624207 446284691 /nfs/dbraw/zinc/28/46/91/446284691.db2.gz HZGQQMLGIFYWEY-CNMWIUBYSA-N 2 1 337.508 1.850 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000373624207 446284695 /nfs/dbraw/zinc/28/46/95/446284695.db2.gz HZGQQMLGIFYWEY-CNMWIUBYSA-N 2 1 337.508 1.850 20 0 EDADMP C[C@H](CO)[N@H+]1CCCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000373733671 446317077 /nfs/dbraw/zinc/31/70/77/446317077.db2.gz NEHQGKNSODBWPC-OAHLLOKOSA-N 2 1 334.464 1.669 20 0 EDADMP OC(C[NH+]1CCCO[C@@H]2CCC[C@@H]21)C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000365737648 446323552 /nfs/dbraw/zinc/32/35/52/446323552.db2.gz OEFAOAKDINKFDW-INDMIFKZSA-N 2 1 338.492 1.634 20 0 EDADMP OC(C[NH+]1CCCO[C@@H]2CCC[C@@H]21)C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000365737648 446323555 /nfs/dbraw/zinc/32/35/55/446323555.db2.gz OEFAOAKDINKFDW-INDMIFKZSA-N 2 1 338.492 1.634 20 0 EDADMP Cc1[nH+]ccn1-c1cncc(N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000362338261 446324953 /nfs/dbraw/zinc/32/49/53/446324953.db2.gz ABJIXGMJGKVSPP-UHFFFAOYSA-N 2 1 342.447 1.519 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000417273495 446337478 /nfs/dbraw/zinc/33/74/78/446337478.db2.gz XCSRWGFOBVFMTM-YJBOKZPZSA-N 2 1 346.475 1.411 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000417273495 446337483 /nfs/dbraw/zinc/33/74/83/446337483.db2.gz XCSRWGFOBVFMTM-YJBOKZPZSA-N 2 1 346.475 1.411 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1C[NH+]2CCC1CC2 ZINC000370612066 446357892 /nfs/dbraw/zinc/35/78/92/446357892.db2.gz HXHOSUXRYPAHPM-IBGZPJMESA-N 2 1 327.472 1.893 20 0 EDADMP O=C(NC[C@H]1CC[NH2+]C1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417510609 446358274 /nfs/dbraw/zinc/35/82/74/446358274.db2.gz XJKGMPZVSCCAON-ZWKOTPCHSA-N 2 1 330.476 1.460 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)NC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516668 446360649 /nfs/dbraw/zinc/36/06/49/446360649.db2.gz OHUZRCFNNVKCDF-SJLPKXTDSA-N 2 1 348.491 1.605 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417581338 446365444 /nfs/dbraw/zinc/36/54/44/446365444.db2.gz HHTYPAVNFCHBAL-HNNXBMFYSA-N 2 1 340.512 1.789 20 0 EDADMP CCN(C)C(=O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370633993 446366039 /nfs/dbraw/zinc/36/60/39/446366039.db2.gz HVFJZGLJEQPZCN-UHFFFAOYSA-N 2 1 338.540 1.593 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411239561 446438016 /nfs/dbraw/zinc/43/80/16/446438016.db2.gz GGLLUFLFHRMGMC-UHFFFAOYSA-N 2 1 348.491 1.843 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[C@H]1c1cccs1 ZINC000370785213 446441772 /nfs/dbraw/zinc/44/17/72/446441772.db2.gz CSKXYACBFSMXJT-IOASZLSFSA-N 2 1 339.530 1.952 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418006674 446413466 /nfs/dbraw/zinc/41/34/66/446413466.db2.gz MOPBJNXEXNCDDP-JZXOWHBKSA-N 2 1 330.476 1.900 20 0 EDADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000370766825 446425695 /nfs/dbraw/zinc/42/56/95/446425695.db2.gz OTQYUNDJPQOSJI-GOEBONIOSA-N 2 1 346.479 1.292 20 0 EDADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420286808 446453308 /nfs/dbraw/zinc/45/33/08/446453308.db2.gz FQOKNDBNENSJHN-HOCLYGCPSA-N 2 1 346.475 1.363 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1)C(=O)OC ZINC000420304159 446467379 /nfs/dbraw/zinc/46/73/79/446467379.db2.gz DKWUQKULRMFHBH-LZWOXQAQSA-N 2 1 327.469 1.154 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1)C(=O)OC ZINC000420304159 446467384 /nfs/dbraw/zinc/46/73/84/446467384.db2.gz DKWUQKULRMFHBH-LZWOXQAQSA-N 2 1 327.469 1.154 20 0 EDADMP CC[C@]1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000370843967 446477590 /nfs/dbraw/zinc/47/75/90/446477590.db2.gz AOVYEJCXDVYXPO-IBGZPJMESA-N 2 1 348.466 1.454 20 0 EDADMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420322258 446488219 /nfs/dbraw/zinc/48/82/19/446488219.db2.gz SHDJSZXFTVDAJU-ZIAGYGMSSA-N 2 1 325.478 1.717 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C3(C)C[NH2+]C3)cc2)C[C@H](C)O1 ZINC000423330116 446492151 /nfs/dbraw/zinc/49/21/51/446492151.db2.gz LXOKWDZYXLUEPZ-GASCZTMLSA-N 2 1 331.460 1.522 20 0 EDADMP O=C(Cc1cccc(F)c1)N1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420323844 446489005 /nfs/dbraw/zinc/48/90/05/446489005.db2.gz UMIULVNJWNITJC-MRXNPFEDSA-N 2 1 333.451 1.902 20 0 EDADMP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420327158 446496180 /nfs/dbraw/zinc/49/61/80/446496180.db2.gz KSGDVUCIIYMEOC-MRXNPFEDSA-N 2 1 349.450 1.471 20 0 EDADMP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420327158 446496183 /nfs/dbraw/zinc/49/61/83/446496183.db2.gz KSGDVUCIIYMEOC-MRXNPFEDSA-N 2 1 349.450 1.471 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423334004 446493581 /nfs/dbraw/zinc/49/35/81/446493581.db2.gz QFTMLARFYMTEKO-HUUCEWRRSA-N 2 1 333.480 1.491 20 0 EDADMP COc1ccc(CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000375000004 446504095 /nfs/dbraw/zinc/50/40/95/446504095.db2.gz ULAAJDGCGHUDKA-UHFFFAOYSA-N 2 1 334.460 1.397 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420330247 446499244 /nfs/dbraw/zinc/49/92/44/446499244.db2.gz AOQYSEQNJLJTFZ-ZWKOTPCHSA-N 2 1 345.487 1.812 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)C1 ZINC000423361084 446499488 /nfs/dbraw/zinc/49/94/88/446499488.db2.gz GPPXRMINHRHNJU-KHYOSLBOSA-N 2 1 342.443 1.074 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1 ZINC000418483943 446561277 /nfs/dbraw/zinc/56/12/77/446561277.db2.gz FYEOVVOWFSHXKX-SOUVJXGZSA-N 2 1 334.464 1.303 20 0 EDADMP CNC(=O)NC(=O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000411482863 446564019 /nfs/dbraw/zinc/56/40/19/446564019.db2.gz ZZJDIXWRIWBGHF-GFCCVEGCSA-N 2 1 329.404 1.677 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000423535600 446565262 /nfs/dbraw/zinc/56/52/62/446565262.db2.gz DNPAKEYFSYDLOK-QWFCFKBJSA-N 2 1 343.471 1.475 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423404852 446519983 /nfs/dbraw/zinc/51/99/83/446519983.db2.gz ZJNFOCCFIQQEET-HLLBOEOZSA-N 2 1 333.480 1.800 20 0 EDADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347278 446521285 /nfs/dbraw/zinc/52/12/85/446521285.db2.gz GHSMEMLJLFRGDM-GDBMZVCRSA-N 2 1 334.439 1.441 20 0 EDADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347278 446521291 /nfs/dbraw/zinc/52/12/91/446521291.db2.gz GHSMEMLJLFRGDM-GDBMZVCRSA-N 2 1 334.439 1.441 20 0 EDADMP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348249 446523310 /nfs/dbraw/zinc/52/33/10/446523310.db2.gz KJLUEEGYHKLHFB-SJLPKXTDSA-N 2 1 342.487 1.334 20 0 EDADMP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348249 446523314 /nfs/dbraw/zinc/52/33/14/446523314.db2.gz KJLUEEGYHKLHFB-SJLPKXTDSA-N 2 1 342.487 1.334 20 0 EDADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347481 446523931 /nfs/dbraw/zinc/52/39/31/446523931.db2.gz GWABLBOKYAWVQF-YJBOKZPZSA-N 2 1 348.466 1.325 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423423614 446529934 /nfs/dbraw/zinc/52/99/34/446529934.db2.gz ZWXQZRQJRMQFSI-HOTGVXAUSA-N 2 1 345.491 1.871 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000418398213 446529984 /nfs/dbraw/zinc/52/99/84/446529984.db2.gz KLHXMSDTULCBJS-JKIFEVAISA-N 2 1 338.496 1.255 20 0 EDADMP COC[C@]1(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC[NH2+]C1 ZINC000423425403 446530769 /nfs/dbraw/zinc/53/07/69/446530769.db2.gz GOPZBJSRUIWRLK-LIRRHRJNSA-N 2 1 342.443 1.984 20 0 EDADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000420352723 446531344 /nfs/dbraw/zinc/53/13/44/446531344.db2.gz ZTZKTNBCTPDVRK-AZUAARDMSA-N 2 1 342.487 1.233 20 0 EDADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000420352723 446531349 /nfs/dbraw/zinc/53/13/49/446531349.db2.gz ZTZKTNBCTPDVRK-AZUAARDMSA-N 2 1 342.487 1.233 20 0 EDADMP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352219 446532053 /nfs/dbraw/zinc/53/20/53/446532053.db2.gz ZEILGZIWJJKMQY-IEBWSBKVSA-N 2 1 344.503 1.022 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@H](O)C[NH3+] ZINC000420354117 446534082 /nfs/dbraw/zinc/53/40/82/446534082.db2.gz ODRWFHPOKOJCFN-SNVBAGLBSA-N 2 1 348.216 1.168 20 0 EDADMP Cc1ccc2nc(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)[nH]c2c1 ZINC000433152459 446538598 /nfs/dbraw/zinc/53/85/98/446538598.db2.gz RQKVTEOYNCPEOH-UHFFFAOYSA-N 2 1 329.448 1.691 20 0 EDADMP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420367319 446546631 /nfs/dbraw/zinc/54/66/31/446546631.db2.gz VJQGTUUBAXZIKB-ZIAGYGMSSA-N 2 1 325.478 1.717 20 0 EDADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418450326 446547041 /nfs/dbraw/zinc/54/70/41/446547041.db2.gz TXCRERMPVBLDEI-NVXWUHKLSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433391770 446567813 /nfs/dbraw/zinc/56/78/13/446567813.db2.gz XEQLGXORSSIULX-BFYDXBDKSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433391770 446567819 /nfs/dbraw/zinc/56/78/19/446567819.db2.gz XEQLGXORSSIULX-BFYDXBDKSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433391770 446567824 /nfs/dbraw/zinc/56/78/24/446567824.db2.gz XEQLGXORSSIULX-BFYDXBDKSA-N 2 1 338.496 1.269 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000420376761 446555003 /nfs/dbraw/zinc/55/50/03/446555003.db2.gz RFUFIDBXGRKABG-ROUUACIJSA-N 2 1 334.460 1.046 20 0 EDADMP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420377489 446555307 /nfs/dbraw/zinc/55/53/07/446555307.db2.gz LCPCADMUWMMDQR-WBVHZDCISA-N 2 1 333.476 1.960 20 0 EDADMP CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420377489 446555313 /nfs/dbraw/zinc/55/53/13/446555313.db2.gz LCPCADMUWMMDQR-WBVHZDCISA-N 2 1 333.476 1.960 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000433336207 446555697 /nfs/dbraw/zinc/55/56/97/446555697.db2.gz UKDUCSAPJWMWRA-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000433336207 446555705 /nfs/dbraw/zinc/55/57/05/446555705.db2.gz UKDUCSAPJWMWRA-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000433336207 446555709 /nfs/dbraw/zinc/55/57/09/446555709.db2.gz UKDUCSAPJWMWRA-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423514814 446557833 /nfs/dbraw/zinc/55/78/33/446557833.db2.gz WQUQYXWYNBCPLG-SJORKVTESA-N 2 1 337.489 1.819 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)[nH+]c1 ZINC000367693853 446575839 /nfs/dbraw/zinc/57/58/39/446575839.db2.gz MPDSFGHXLXLBET-HOTGVXAUSA-N 2 1 331.464 1.928 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)[nH+]c1 ZINC000367693853 446575843 /nfs/dbraw/zinc/57/58/43/446575843.db2.gz MPDSFGHXLXLBET-HOTGVXAUSA-N 2 1 331.464 1.928 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](CC3CC3)CC2)CCCO1 ZINC000433464113 446577804 /nfs/dbraw/zinc/57/78/04/446577804.db2.gz VIYAKGWGOZGXTI-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000371020871 446579480 /nfs/dbraw/zinc/57/94/80/446579480.db2.gz WIDLWKLKJONTLD-SJORKVTESA-N 2 1 338.496 1.367 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000418548269 446588937 /nfs/dbraw/zinc/58/89/37/446588937.db2.gz ZEMTULRAJDOBFZ-GVDBMIGSSA-N 3 1 339.528 1.184 20 0 EDADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1)CC(C)C ZINC000418666960 446642259 /nfs/dbraw/zinc/64/22/59/446642259.db2.gz FWERXWVEOVMJNM-PIIMJCKOSA-N 2 1 336.524 1.994 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)CCCC[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000418671992 446644456 /nfs/dbraw/zinc/64/44/56/446644456.db2.gz LQTVDJBUHNOARJ-ARFHVFGLSA-N 2 1 326.485 1.256 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418737785 446660768 /nfs/dbraw/zinc/66/07/68/446660768.db2.gz WCIAULPDGMBTCZ-DOTOQJQBSA-N 2 1 333.480 1.815 20 0 EDADMP C[N@@H+]1CC[C@@H]2CCN(C[C@@H](O)COCc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000375245289 446667001 /nfs/dbraw/zinc/66/70/01/446667001.db2.gz QGKBXZMPPSLLGE-ZACQAIPSSA-N 2 1 348.443 1.319 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C[C@@H](O)COCc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000375245289 446667006 /nfs/dbraw/zinc/66/70/06/446667006.db2.gz QGKBXZMPPSLLGE-ZACQAIPSSA-N 2 1 348.443 1.319 20 0 EDADMP CC[C@H](C(=O)NC[C@@]1(COC)CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000423640556 446622264 /nfs/dbraw/zinc/62/22/64/446622264.db2.gz VXCXYLMEMHMBLS-IEBWSBKVSA-N 2 1 333.476 1.782 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000418636017 446627195 /nfs/dbraw/zinc/62/71/95/446627195.db2.gz LRQJZRHMUZDYGY-QXAKKESOSA-N 2 1 342.487 1.999 20 0 EDADMP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000423665416 446631655 /nfs/dbraw/zinc/63/16/55/446631655.db2.gz HJXWMSKPERXOID-MOPGFXCFSA-N 2 1 343.471 1.633 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000423756987 446687694 /nfs/dbraw/zinc/68/76/94/446687694.db2.gz CDZXWYMJPCTVAD-TWMKSMIVSA-N 2 1 325.497 1.852 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000423756987 446687699 /nfs/dbraw/zinc/68/76/99/446687699.db2.gz CDZXWYMJPCTVAD-TWMKSMIVSA-N 2 1 325.497 1.852 20 0 EDADMP CCn1ccnc(N2CCC([NH2+]C3CC[NH+](CC)CC3)CC2)c1=O ZINC000375280094 446690337 /nfs/dbraw/zinc/69/03/37/446690337.db2.gz RETPVAXFUGWBAT-UHFFFAOYSA-N 2 1 333.480 1.306 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000423805098 446698802 /nfs/dbraw/zinc/69/88/02/446698802.db2.gz SDGFSNLLDGOZBQ-MRXNPFEDSA-N 2 1 333.480 1.198 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@H+](C2CCC2)C1 ZINC000418805697 446713049 /nfs/dbraw/zinc/71/30/49/446713049.db2.gz XYPMSBMVGCMHDC-VVLHAWIVSA-N 2 1 334.508 1.890 20 0 EDADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000371263758 446723779 /nfs/dbraw/zinc/72/37/79/446723779.db2.gz CXSHXUHFGRPRJS-IBGZPJMESA-N 2 1 348.466 1.012 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)c1cnn(C)c1 ZINC000411820593 446681043 /nfs/dbraw/zinc/68/10/43/446681043.db2.gz HYNQBNFIWFCKAR-FUHWJXTLSA-N 2 1 349.523 1.788 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000371287720 446746073 /nfs/dbraw/zinc/74/60/73/446746073.db2.gz RZYWWQCDIFNSOK-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000371287720 446746078 /nfs/dbraw/zinc/74/60/78/446746078.db2.gz RZYWWQCDIFNSOK-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000371287720 446746080 /nfs/dbraw/zinc/74/60/80/446746080.db2.gz RZYWWQCDIFNSOK-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000371287720 446746086 /nfs/dbraw/zinc/74/60/86/446746086.db2.gz RZYWWQCDIFNSOK-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP CN(CCCn1ccnc1)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000376879422 446772403 /nfs/dbraw/zinc/77/24/03/446772403.db2.gz DXNRICBCBCLVNW-UHFFFAOYSA-N 2 1 344.463 1.470 20 0 EDADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375463794 446818996 /nfs/dbraw/zinc/81/89/96/446818996.db2.gz FYGCVSCIYBJHEI-USXIJHARSA-N 2 1 346.475 1.893 20 0 EDADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375463794 446819000 /nfs/dbraw/zinc/81/90/00/446819000.db2.gz FYGCVSCIYBJHEI-USXIJHARSA-N 2 1 346.475 1.893 20 0 EDADMP C[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000368427559 446857155 /nfs/dbraw/zinc/85/71/55/446857155.db2.gz WQHZUVIKNUBQMX-ICSRJNTNSA-N 2 1 331.504 1.861 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000419003610 446859559 /nfs/dbraw/zinc/85/95/59/446859559.db2.gz QNDNDXMXHOSVAA-DLBZAZTESA-N 2 1 346.475 1.011 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000419023844 446871092 /nfs/dbraw/zinc/87/10/92/446871092.db2.gz JZLBYDRSVFNPPF-HUUCEWRRSA-N 2 1 340.512 1.247 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000424461792 446879025 /nfs/dbraw/zinc/87/90/25/446879025.db2.gz DLXZLBNCORTTKT-QGZVFWFLSA-N 2 1 344.459 1.525 20 0 EDADMP COC(=O)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420925268 446895080 /nfs/dbraw/zinc/89/50/80/446895080.db2.gz VOEFVZBVWDAEDE-YJBOKZPZSA-N 2 1 332.444 1.902 20 0 EDADMP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420925268 446895084 /nfs/dbraw/zinc/89/50/84/446895084.db2.gz VOEFVZBVWDAEDE-YJBOKZPZSA-N 2 1 332.444 1.902 20 0 EDADMP C[N@@H+]1CC[C@@H]2OCCN(Cc3ccc(C[NH+]4CCOCC4)cc3)[C@H]2C1 ZINC000420962777 446933401 /nfs/dbraw/zinc/93/34/01/446933401.db2.gz LAVVGDWCSBPGRF-PMACEKPBSA-N 2 1 345.487 1.424 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(Cc3ccc(C[NH+]4CCOCC4)cc3)[C@H]2C1 ZINC000420962777 446933406 /nfs/dbraw/zinc/93/34/06/446933406.db2.gz LAVVGDWCSBPGRF-PMACEKPBSA-N 2 1 345.487 1.424 20 0 EDADMP CC[N@H+]1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)[C@H](C)C1 ZINC000412339927 446940520 /nfs/dbraw/zinc/94/05/20/446940520.db2.gz QDPFFNRVRCUSPE-ZBFHGGJFSA-N 2 1 325.522 1.757 20 0 EDADMP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442752585 446951384 /nfs/dbraw/zinc/95/13/84/446951384.db2.gz DVOZLHIMTZOICR-QLFBSQMISA-N 2 1 344.459 1.810 20 0 EDADMP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442752585 446951390 /nfs/dbraw/zinc/95/13/90/446951390.db2.gz DVOZLHIMTZOICR-QLFBSQMISA-N 2 1 344.459 1.810 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000442754600 446952580 /nfs/dbraw/zinc/95/25/80/446952580.db2.gz BFPAVTKPBDNXCY-HUUCEWRRSA-N 2 1 336.505 1.061 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000442754600 446952583 /nfs/dbraw/zinc/95/25/83/446952583.db2.gz BFPAVTKPBDNXCY-HUUCEWRRSA-N 2 1 336.505 1.061 20 0 EDADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420982018 446955794 /nfs/dbraw/zinc/95/57/94/446955794.db2.gz OBKOLGVEDFXTPX-QGZVFWFLSA-N 2 1 338.540 1.735 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000419166600 446984476 /nfs/dbraw/zinc/98/44/76/446984476.db2.gz HOLSOEBSYKTQQC-CVEARBPZSA-N 2 1 340.512 1.055 20 0 EDADMP CC(C)(C)CC[NH+]1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000372083240 446991752 /nfs/dbraw/zinc/99/17/52/446991752.db2.gz ISUJXRYKOXNEMQ-MQVJKMGUSA-N 2 1 335.492 1.382 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000443059390 447002291 /nfs/dbraw/zinc/00/22/91/447002291.db2.gz MOWSETGYCNIGNV-MRXNPFEDSA-N 2 1 341.459 1.549 20 0 EDADMP COCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000375783828 447043970 /nfs/dbraw/zinc/04/39/70/447043970.db2.gz ANJNVOCCZAERSM-ZBFHGGJFSA-N 2 1 349.479 1.193 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H](C)N1CCO ZINC000368675149 447025285 /nfs/dbraw/zinc/02/52/85/447025285.db2.gz GVNUOFKIOYZNSK-JKIFEVAISA-N 2 1 329.460 1.112 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C[C@H](C)[N@@H+]1CCO ZINC000368675149 447025298 /nfs/dbraw/zinc/02/52/98/447025298.db2.gz GVNUOFKIOYZNSK-JKIFEVAISA-N 2 1 329.460 1.112 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H](C)[NH+]1CCO ZINC000368675149 447025304 /nfs/dbraw/zinc/02/53/04/447025304.db2.gz GVNUOFKIOYZNSK-JKIFEVAISA-N 2 1 329.460 1.112 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H](C)[NH+]1CCO ZINC000368675149 447025305 /nfs/dbraw/zinc/02/53/05/447025305.db2.gz GVNUOFKIOYZNSK-JKIFEVAISA-N 2 1 329.460 1.112 20 0 EDADMP CC[N@H+]1CCC[C@@H](CN(C)CC(=O)NCC(C)C)[C@@H]1c1cnn(C)c1 ZINC000372530148 447114015 /nfs/dbraw/zinc/11/40/15/447114015.db2.gz HCDXPDHOQVHBFV-QFBILLFUSA-N 2 1 349.523 1.897 20 0 EDADMP C[N@@H+](C[C@@H](O)COc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375829260 447086028 /nfs/dbraw/zinc/08/60/28/447086028.db2.gz FSRUGZJDPYIOFK-RTBURBONSA-N 2 1 347.503 1.527 20 0 EDADMP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@H]1CC[NH2+]1 ZINC000444178492 447089611 /nfs/dbraw/zinc/08/96/11/447089611.db2.gz WWZMWRDFSRUFEZ-MRXNPFEDSA-N 2 1 328.416 1.274 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3)C2)CC1 ZINC000375902511 447135279 /nfs/dbraw/zinc/13/52/79/447135279.db2.gz FRRBZYBRYZNSJK-GOSISDBHSA-N 2 1 330.476 1.386 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000375908131 447138955 /nfs/dbraw/zinc/13/89/55/447138955.db2.gz VFXLCWPSOOAPIU-VQTJNVASSA-N 2 1 331.504 1.994 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@H](CO)OC(C)(C)C2)CC1 ZINC000421365915 447142479 /nfs/dbraw/zinc/14/24/79/447142479.db2.gz VDQWYWRLSTUYKZ-GOSISDBHSA-N 2 1 347.503 1.800 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@H](CO)OC(C)(C)C2)CC1 ZINC000421365915 447142495 /nfs/dbraw/zinc/14/24/95/447142495.db2.gz VDQWYWRLSTUYKZ-GOSISDBHSA-N 2 1 347.503 1.800 20 0 EDADMP C[NH+](C)C1CCC([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000421378471 447144340 /nfs/dbraw/zinc/14/43/40/447144340.db2.gz VFYHUACNDAVRNJ-UHFFFAOYSA-N 3 1 332.496 1.191 20 0 EDADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419403718 447153782 /nfs/dbraw/zinc/15/37/82/447153782.db2.gz QLYGAVAONWVCNT-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C2)c1 ZINC000377486281 447157326 /nfs/dbraw/zinc/15/73/26/447157326.db2.gz FNJRTXWZSUJWRF-GJZGRUSLSA-N 2 1 347.463 1.747 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000425473155 447180884 /nfs/dbraw/zinc/18/08/84/447180884.db2.gz XEVJUPYFRTWVED-HOTGVXAUSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419446430 447181986 /nfs/dbraw/zinc/18/19/86/447181986.db2.gz VJAYUISCWBCHMX-JKSUJKDBSA-N 2 1 348.491 1.345 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C)C[N@H+]1CCO ZINC000419452369 447187113 /nfs/dbraw/zinc/18/71/13/447187113.db2.gz OZXWRFCQAZHOLX-PMPSAXMXSA-N 2 1 342.528 1.449 20 0 EDADMP C[C@H]1COCCN1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425505368 447199442 /nfs/dbraw/zinc/19/94/42/447199442.db2.gz YIWNNNJDOUQJHC-YSIASYRMSA-N 2 1 329.488 1.913 20 0 EDADMP C[C@H]1COCCN1CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425505368 447199450 /nfs/dbraw/zinc/19/94/50/447199450.db2.gz YIWNNNJDOUQJHC-YSIASYRMSA-N 2 1 329.488 1.913 20 0 EDADMP C[C@H]1COCCN1CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425505368 447199454 /nfs/dbraw/zinc/19/94/54/447199454.db2.gz YIWNNNJDOUQJHC-YSIASYRMSA-N 2 1 329.488 1.913 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CCC[N@H+]1C ZINC000445925590 447208412 /nfs/dbraw/zinc/20/84/12/447208412.db2.gz OLWVUIRPGQPUNW-HOCLYGCPSA-N 2 1 346.475 1.328 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419431275 447170401 /nfs/dbraw/zinc/17/04/01/447170401.db2.gz XEBFKTOGVVURTP-OWCLPIDISA-N 2 1 340.512 1.104 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000419430888 447170983 /nfs/dbraw/zinc/17/09/83/447170983.db2.gz WNBHEBLNXKCYAS-MWDXBVQZSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000419430888 447170987 /nfs/dbraw/zinc/17/09/87/447170987.db2.gz WNBHEBLNXKCYAS-MWDXBVQZSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000419430888 447170990 /nfs/dbraw/zinc/17/09/90/447170990.db2.gz WNBHEBLNXKCYAS-MWDXBVQZSA-N 2 1 340.512 1.346 20 0 EDADMP C[N@@H+](CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000446258629 447247596 /nfs/dbraw/zinc/24/75/96/447247596.db2.gz NVNFQQBUEQFDMA-JTDSTZFVSA-N 2 1 337.508 1.900 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccco1 ZINC000369045041 447284127 /nfs/dbraw/zinc/28/41/27/447284127.db2.gz XYBXORCMVYAURB-RBSFLKMASA-N 2 1 336.436 1.045 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccco1 ZINC000369045041 447284132 /nfs/dbraw/zinc/28/41/32/447284132.db2.gz XYBXORCMVYAURB-RBSFLKMASA-N 2 1 336.436 1.045 20 0 EDADMP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000383344398 447466091 /nfs/dbraw/zinc/46/60/91/447466091.db2.gz LWQKUTHYSLAARS-MSOLQXFVSA-N 2 1 331.460 1.393 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000458730442 447466314 /nfs/dbraw/zinc/46/63/14/447466314.db2.gz FVFVLBVLXPPSPA-HZPDHXFCSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458730442 447466317 /nfs/dbraw/zinc/46/63/17/447466317.db2.gz FVFVLBVLXPPSPA-HZPDHXFCSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000458730442 447466324 /nfs/dbraw/zinc/46/63/24/447466324.db2.gz FVFVLBVLXPPSPA-HZPDHXFCSA-N 2 1 340.512 1.253 20 0 EDADMP CCCN(C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)C1CC[NH2+]CC1 ZINC000415496458 447479163 /nfs/dbraw/zinc/47/91/63/447479163.db2.gz HATHYHMEFXQIEX-UHFFFAOYSA-N 2 1 343.431 1.572 20 0 EDADMP C[NH+]1CCC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)CC1 ZINC000389926745 447488133 /nfs/dbraw/zinc/48/81/33/447488133.db2.gz UXVFWWAXRRREOO-HNNXBMFYSA-N 2 1 327.469 1.696 20 0 EDADMP CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415515732 447490832 /nfs/dbraw/zinc/49/08/32/447490832.db2.gz DAOWCBATLRXZJC-UHFFFAOYSA-N 2 1 340.855 1.456 20 0 EDADMP O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390869686 447504862 /nfs/dbraw/zinc/50/48/62/447504862.db2.gz FSJSTOBCHSNUCV-PKOBYXMFSA-N 2 1 345.487 1.783 20 0 EDADMP COc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1OC(F)F ZINC000391059127 447509752 /nfs/dbraw/zinc/50/97/52/447509752.db2.gz OZCYBNWPMIUPNA-UHFFFAOYSA-N 2 1 329.391 1.634 20 0 EDADMP CN(C)c1nccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000391089903 447510160 /nfs/dbraw/zinc/51/01/60/447510160.db2.gz YGWDWXLYGXUYGT-KRWDZBQOSA-N 2 1 341.459 2.246 20 0 EDADMP CN(C)c1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000391089903 447510172 /nfs/dbraw/zinc/51/01/72/447510172.db2.gz YGWDWXLYGXUYGT-KRWDZBQOSA-N 2 1 341.459 2.246 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000427294646 447576425 /nfs/dbraw/zinc/57/64/25/447576425.db2.gz JSDDJJRAJDOUQT-KRWDZBQOSA-N 2 1 330.476 1.267 20 0 EDADMP CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000420013449 447545822 /nfs/dbraw/zinc/54/58/22/447545822.db2.gz LEURMDZVIZAPNI-HLLBOEOZSA-N 2 1 346.475 1.134 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397588809 447551134 /nfs/dbraw/zinc/55/11/34/447551134.db2.gz KZWUAPHOMFFLOX-KRWDZBQOSA-N 2 1 331.460 1.081 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000427264796 447571645 /nfs/dbraw/zinc/57/16/45/447571645.db2.gz IZMHUVXNOFWEMB-HOTGVXAUSA-N 2 1 344.459 1.322 20 0 EDADMP C[C@@H]1CN(c2ccccc2CN(C)C2CC[NH+](CCO)CC2)CCO1 ZINC000459334622 447636914 /nfs/dbraw/zinc/63/69/14/447636914.db2.gz MEMZVVDBJUVADP-QGZVFWFLSA-N 2 1 347.503 1.800 20 0 EDADMP C[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCCCCC1)N1CC[NH+](C)CC1 ZINC000428445853 447702036 /nfs/dbraw/zinc/70/20/36/447702036.db2.gz IGPJBYGDXSROCX-QGZVFWFLSA-N 2 1 338.540 1.735 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C[NH+]1CCCCC1 ZINC000457903871 447666444 /nfs/dbraw/zinc/66/64/44/447666444.db2.gz GAMGHLYOPULICM-IRXDYDNUSA-N 2 1 340.512 1.254 20 0 EDADMP Cn1c(NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[nH+]c2cccc(F)c21 ZINC000420242937 447684359 /nfs/dbraw/zinc/68/43/59/447684359.db2.gz NOXVXTPJZHZMPD-LBPRGKRZSA-N 2 1 345.344 1.960 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000416925769 447711823 /nfs/dbraw/zinc/71/18/23/447711823.db2.gz SVTCDEMKVQGIGU-WCVJEAGWSA-N 2 1 340.512 1.643 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCC2([NH3+])CCCCC2)C[C@H](C)O1 ZINC000416928461 447712712 /nfs/dbraw/zinc/71/27/12/447712712.db2.gz YNVVKQBDBCDLRZ-GJZGRUSLSA-N 2 1 340.512 1.835 20 0 EDADMP CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000451262277 447717279 /nfs/dbraw/zinc/71/72/79/447717279.db2.gz XEKVJBDHAIINOP-RCCFBDPRSA-N 2 1 333.476 1.498 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N(C)[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000416941886 447718113 /nfs/dbraw/zinc/71/81/13/447718113.db2.gz KPWWUCYXBNWIED-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP CCCN(C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000416941661 447718143 /nfs/dbraw/zinc/71/81/43/447718143.db2.gz ANOWKOGSBHFUDY-IAGOWNOFSA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000416945369 447721583 /nfs/dbraw/zinc/72/15/83/447721583.db2.gz WELJNPAURBEWKJ-CVEARBPZSA-N 2 1 326.485 1.160 20 0 EDADMP C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422722711 447728804 /nfs/dbraw/zinc/72/88/04/447728804.db2.gz YOLBIOZSRNUROA-RLLQIKCJSA-N 2 1 331.504 1.908 20 0 EDADMP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422722711 447728810 /nfs/dbraw/zinc/72/88/10/447728810.db2.gz YOLBIOZSRNUROA-RLLQIKCJSA-N 2 1 331.504 1.908 20 0 EDADMP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422722711 447728817 /nfs/dbraw/zinc/72/88/17/447728817.db2.gz YOLBIOZSRNUROA-RLLQIKCJSA-N 2 1 331.504 1.908 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417272803 447740188 /nfs/dbraw/zinc/74/01/88/447740188.db2.gz VTORKXPCBOLUBB-LSDHHAIUSA-N 2 1 334.464 1.301 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417272803 447740192 /nfs/dbraw/zinc/74/01/92/447740192.db2.gz VTORKXPCBOLUBB-LSDHHAIUSA-N 2 1 334.464 1.301 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)C1 ZINC000458186967 447740764 /nfs/dbraw/zinc/74/07/64/447740764.db2.gz ASDLFPJJMZRFBP-QGZVFWFLSA-N 2 1 335.448 1.595 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)C1 ZINC000458186967 447740770 /nfs/dbraw/zinc/74/07/70/447740770.db2.gz ASDLFPJJMZRFBP-QGZVFWFLSA-N 2 1 335.448 1.595 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000422841310 447766524 /nfs/dbraw/zinc/76/65/24/447766524.db2.gz VRZPROHSOKSNAF-LUKYLMHMSA-N 2 1 325.497 1.770 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422876936 447770177 /nfs/dbraw/zinc/77/01/77/447770177.db2.gz GUMHRBWJZGUKEO-BDXSIMOUSA-N 2 1 336.524 1.439 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422876936 447770182 /nfs/dbraw/zinc/77/01/82/447770182.db2.gz GUMHRBWJZGUKEO-BDXSIMOUSA-N 2 1 336.524 1.439 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN(C)CC(C)(C)C[NH3+])CC1 ZINC000430553211 447776636 /nfs/dbraw/zinc/77/66/36/447776636.db2.gz LBJLUIUDUVTPFU-UHFFFAOYSA-N 2 1 346.519 1.556 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000430565288 447780444 /nfs/dbraw/zinc/78/04/44/447780444.db2.gz FEZSTFZUGGRZFR-PKOBYXMFSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000430565288 447780446 /nfs/dbraw/zinc/78/04/46/447780446.db2.gz FEZSTFZUGGRZFR-PKOBYXMFSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430565288 447780448 /nfs/dbraw/zinc/78/04/48/447780448.db2.gz FEZSTFZUGGRZFR-PKOBYXMFSA-N 2 1 344.503 1.390 20 0 EDADMP C[NH2+]C[C@H]1CCN(CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000430930046 447787681 /nfs/dbraw/zinc/78/76/81/447787681.db2.gz RGOUHASZKMIJME-LJQANCHMSA-N 2 1 344.503 1.181 20 0 EDADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C2 ZINC000423021117 447792389 /nfs/dbraw/zinc/79/23/89/447792389.db2.gz DKTVHXIAODCDSG-BZZMCLGOSA-N 2 1 332.444 1.745 20 0 EDADMP C[C@@H]1C[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000496579299 447825517 /nfs/dbraw/zinc/82/55/17/447825517.db2.gz ZPJSQTPUJGKABH-RKVPGOIHSA-N 2 1 341.496 1.678 20 0 EDADMP C[C@@H]1C[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000496579299 447825518 /nfs/dbraw/zinc/82/55/18/447825518.db2.gz ZPJSQTPUJGKABH-RKVPGOIHSA-N 2 1 341.496 1.678 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC[N@@H+]1CCOC ZINC000569852600 447907116 /nfs/dbraw/zinc/90/71/16/447907116.db2.gz TUBGSSUQFXGCQQ-JKSUJKDBSA-N 2 1 327.513 1.970 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC[N@H+]1CCOC ZINC000569852600 447907120 /nfs/dbraw/zinc/90/71/20/447907120.db2.gz TUBGSSUQFXGCQQ-JKSUJKDBSA-N 2 1 327.513 1.970 20 0 EDADMP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000496823607 447943828 /nfs/dbraw/zinc/94/38/28/447943828.db2.gz ZLJVPLDDNRTDCS-CYBMUJFWSA-N 2 1 348.451 1.275 20 0 EDADMP CN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000576037961 447955471 /nfs/dbraw/zinc/95/54/71/447955471.db2.gz IZTGIHNVZFNOKR-AEFFLSMTSA-N 2 1 348.466 1.139 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCc2nnnn2-c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552055508 447931082 /nfs/dbraw/zinc/93/10/82/447931082.db2.gz QVIJGUUPLOWVTO-YESZJQIVSA-N 2 1 326.448 1.667 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3CCO)CC2)CC1 ZINC000576120338 447979040 /nfs/dbraw/zinc/97/90/40/447979040.db2.gz CHOPZSCQZKGGRH-SFHVURJKSA-N 2 1 337.508 1.556 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000525248948 447983246 /nfs/dbraw/zinc/98/32/46/447983246.db2.gz JMULAEYDJVSTIN-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497215772 447968387 /nfs/dbraw/zinc/96/83/87/447968387.db2.gz SRINJEVUTJTMKT-WMLDXEAASA-N 2 1 329.485 1.584 20 0 EDADMP C[C@@H](CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+]1CCCC1 ZINC000525748527 448020121 /nfs/dbraw/zinc/02/01/21/448020121.db2.gz IQGQTWCVDUWRDO-HKUYNNGSSA-N 2 1 345.487 1.878 20 0 EDADMP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000570676688 448047528 /nfs/dbraw/zinc/04/75/28/448047528.db2.gz UXHBZORTFDRXDI-FBVQUNGASA-N 2 1 332.444 1.844 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCNC[C@H]1C(F)F ZINC000576468297 448062559 /nfs/dbraw/zinc/06/25/59/448062559.db2.gz BUDRRXHMCATFCI-GJZGRUSLSA-N 2 1 338.402 1.359 20 0 EDADMP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000576468297 448062562 /nfs/dbraw/zinc/06/25/62/448062562.db2.gz BUDRRXHMCATFCI-GJZGRUSLSA-N 2 1 338.402 1.359 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000497304456 448058797 /nfs/dbraw/zinc/05/87/97/448058797.db2.gz GNRNRINJQGFNAO-VQIMIIECSA-N 2 1 347.459 1.696 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000497304456 448058799 /nfs/dbraw/zinc/05/87/99/448058799.db2.gz GNRNRINJQGFNAO-VQIMIIECSA-N 2 1 347.459 1.696 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000531489694 448093186 /nfs/dbraw/zinc/09/31/86/448093186.db2.gz OFDJVVSWWWSSQN-HNNXBMFYSA-N 2 1 349.450 1.737 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000570798908 448067544 /nfs/dbraw/zinc/06/75/44/448067544.db2.gz HPHUYLZCZZXVGH-WOGUSJMUSA-N 2 1 343.471 1.392 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000570798908 448067547 /nfs/dbraw/zinc/06/75/47/448067547.db2.gz HPHUYLZCZZXVGH-WOGUSJMUSA-N 2 1 343.471 1.392 20 0 EDADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000531708764 448130259 /nfs/dbraw/zinc/13/02/59/448130259.db2.gz WZVSSIQASJFWGB-IAGOWNOFSA-N 3 1 345.491 1.050 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H](C)C1 ZINC000571311734 448134739 /nfs/dbraw/zinc/13/47/39/448134739.db2.gz ZNVNDYNRBRVPTB-ZIAGYGMSSA-N 2 1 340.512 1.392 20 0 EDADMP CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000571315984 448135975 /nfs/dbraw/zinc/13/59/75/448135975.db2.gz QQDJXXDMRPJDPO-FQEVSTJZSA-N 2 1 349.519 1.700 20 0 EDADMP COc1cccc(NC(=O)C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000576968311 448183567 /nfs/dbraw/zinc/18/35/67/448183567.db2.gz YKXNQQRQJBKSBN-HKUYNNGSSA-N 2 1 347.459 1.852 20 0 EDADMP CC[C@H](C[NH2+]C1CC[NH+](CCOC)CC1)NC(=O)OC(C)(C)C ZINC000497064373 448169090 /nfs/dbraw/zinc/16/90/90/448169090.db2.gz NYFAVMMXFCKXIB-CQSZACIVSA-N 2 1 329.485 1.990 20 0 EDADMP CCC[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000582407621 448228048 /nfs/dbraw/zinc/22/80/48/448228048.db2.gz PPDURWRUBXAUMD-UHFFFAOYSA-N 2 1 345.896 1.951 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000571897542 448231711 /nfs/dbraw/zinc/23/17/11/448231711.db2.gz PMUNCNXIECCYDM-QZTJIDSGSA-N 2 1 346.475 1.281 20 0 EDADMP [NH3+]Cc1ccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000577134049 448217338 /nfs/dbraw/zinc/21/73/38/448217338.db2.gz WKISWOHRAXYMBJ-UHFFFAOYSA-N 2 1 338.455 1.697 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCCC[C@H]1CCC[NH2+]1 ZINC000515059400 448253100 /nfs/dbraw/zinc/25/31/00/448253100.db2.gz FDQXQXCXAYAVNR-RTBURBONSA-N 2 1 345.487 1.926 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCC[C@H]1CCC[NH2+]1 ZINC000515059400 448253104 /nfs/dbraw/zinc/25/31/04/448253104.db2.gz FDQXQXCXAYAVNR-RTBURBONSA-N 2 1 345.487 1.926 20 0 EDADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591096968 448260467 /nfs/dbraw/zinc/26/04/67/448260467.db2.gz OWIUXVDHPQHEMT-QGZVFWFLSA-N 2 1 333.476 1.975 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000591100803 448262069 /nfs/dbraw/zinc/26/20/69/448262069.db2.gz WEFSKAMCVSMPQZ-LSDHHAIUSA-N 2 1 348.466 1.706 20 0 EDADMP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000515405916 448307890 /nfs/dbraw/zinc/30/78/90/448307890.db2.gz NKVXDRLWEHPFHK-FGTMMUONSA-N 2 1 328.460 1.799 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)COC2CC[NH2+]CC2)[C@H](C)C1 ZINC000572118530 448292277 /nfs/dbraw/zinc/29/22/77/448292277.db2.gz RDXXAVBYKILKGA-WBVHZDCISA-N 2 1 341.496 1.008 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000515347736 448294870 /nfs/dbraw/zinc/29/48/70/448294870.db2.gz MIMLWZWLRQCDAH-TVFCKZIOSA-N 2 1 327.513 1.311 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000572133632 448298053 /nfs/dbraw/zinc/29/80/53/448298053.db2.gz HXOJHQBPURJBLA-HNNXBMFYSA-N 2 1 334.464 1.370 20 0 EDADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000572368004 448360096 /nfs/dbraw/zinc/36/00/96/448360096.db2.gz QHOCDWRMYIWUGA-OAHLLOKOSA-N 2 1 339.447 1.503 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)C[NH+]1CCOCC1 ZINC000582895021 448370851 /nfs/dbraw/zinc/37/08/51/448370851.db2.gz YSDIKAHGZJXXBJ-CABCVRRESA-N 2 1 326.485 1.032 20 0 EDADMP c1cc(-c2noc([C@@H]3CC34C[NH2+]C4)n2)ccc1C[NH+]1CCOCC1 ZINC000582772823 448335579 /nfs/dbraw/zinc/33/55/79/448335579.db2.gz GXLDJJVNSINMCX-HNNXBMFYSA-N 2 1 326.400 1.646 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000572539622 448404508 /nfs/dbraw/zinc/40/45/08/448404508.db2.gz HCKVISTWCIAPTR-UHFFFAOYSA-N 2 1 347.507 1.538 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000583028743 448407476 /nfs/dbraw/zinc/40/74/76/448407476.db2.gz UCDZCSJKXHGXJX-SJORKVTESA-N 2 1 330.476 1.394 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000583028743 448407480 /nfs/dbraw/zinc/40/74/80/448407480.db2.gz UCDZCSJKXHGXJX-SJORKVTESA-N 2 1 330.476 1.394 20 0 EDADMP [NH3+]CCc1nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000566248498 448429006 /nfs/dbraw/zinc/42/90/06/448429006.db2.gz CNNJYMUGPJLYLI-WFASDCNBSA-N 2 1 334.489 1.733 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000566437026 448469320 /nfs/dbraw/zinc/46/93/20/448469320.db2.gz UKHZFVUELYOJAL-BBWFWOEESA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000566437026 448469325 /nfs/dbraw/zinc/46/93/25/448469325.db2.gz UKHZFVUELYOJAL-BBWFWOEESA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000566437026 448469330 /nfs/dbraw/zinc/46/93/30/448469330.db2.gz UKHZFVUELYOJAL-BBWFWOEESA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000566437026 448469333 /nfs/dbraw/zinc/46/93/33/448469333.db2.gz UKHZFVUELYOJAL-BBWFWOEESA-N 2 1 337.508 1.819 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000578300017 448508618 /nfs/dbraw/zinc/50/86/18/448508618.db2.gz KQTPOBVGYVRDEU-INIZCTEOSA-N 2 1 331.464 1.645 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584459131 448533112 /nfs/dbraw/zinc/53/31/12/448533112.db2.gz CGZCRCRGKLYUKW-CGTJXYLNSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584459131 448533118 /nfs/dbraw/zinc/53/31/18/448533118.db2.gz CGZCRCRGKLYUKW-CGTJXYLNSA-N 2 1 346.475 1.327 20 0 EDADMP C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)CC[C@H]21 ZINC000573232821 448575941 /nfs/dbraw/zinc/57/59/41/448575941.db2.gz YYCKUWYDBOWMHH-WMLDXEAASA-N 2 1 332.448 1.827 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)CC[C@H]21 ZINC000573232821 448575945 /nfs/dbraw/zinc/57/59/45/448575945.db2.gz YYCKUWYDBOWMHH-WMLDXEAASA-N 2 1 332.448 1.827 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccc(OCC(F)F)cc3)CCN2C1=O ZINC000573339531 448604330 /nfs/dbraw/zinc/60/43/30/448604330.db2.gz NXHGSDMYCDVHHN-OCCSQVGLSA-N 2 1 325.359 1.074 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)CCN2C1=O ZINC000573339531 448604336 /nfs/dbraw/zinc/60/43/36/448604336.db2.gz NXHGSDMYCDVHHN-OCCSQVGLSA-N 2 1 325.359 1.074 20 0 EDADMP COc1ncc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000517553765 448591951 /nfs/dbraw/zinc/59/19/51/448591951.db2.gz UVQWMVYVKCXWDS-AEGPPILISA-N 2 1 325.840 1.990 20 0 EDADMP [NH3+][C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000578625042 448596316 /nfs/dbraw/zinc/59/63/16/448596316.db2.gz JSGXFEYBCYFLLH-IPMKNSEASA-N 2 1 342.487 1.887 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528717566 448642657 /nfs/dbraw/zinc/64/26/57/448642657.db2.gz DHVARAPEMRJKOJ-CQSZACIVSA-N 2 1 332.448 1.974 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@@]1(C)C[NH3+] ZINC000584838409 448650537 /nfs/dbraw/zinc/65/05/37/448650537.db2.gz NUODLZAHORRFMK-SZVBFZGTSA-N 2 1 330.476 1.737 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584775859 448627031 /nfs/dbraw/zinc/62/70/31/448627031.db2.gz UVSDVGJOBLOISU-ZSYWTGECSA-N 2 1 341.540 1.557 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584775859 448627035 /nfs/dbraw/zinc/62/70/35/448627035.db2.gz UVSDVGJOBLOISU-ZSYWTGECSA-N 2 1 341.540 1.557 20 0 EDADMP COc1ccc(NC(=O)C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000567598847 448720087 /nfs/dbraw/zinc/72/00/87/448720087.db2.gz QCIVSQLCNPDJTL-MAUKXSAKSA-N 2 1 347.459 1.852 20 0 EDADMP O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N1CC[C@@H]1CC[NH2+]C1 ZINC000567674004 448733042 /nfs/dbraw/zinc/73/30/42/448733042.db2.gz YIGQKTHUVHLQRJ-BHYGNILZSA-N 2 1 327.428 1.103 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000519350676 448760972 /nfs/dbraw/zinc/76/09/72/448760972.db2.gz OTEAIVPEROFRTD-YOEHRIQHSA-N 2 1 332.448 1.515 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000574163066 448805660 /nfs/dbraw/zinc/80/56/60/448805660.db2.gz VZXLIDJOMLCONO-CALCHBBNSA-N 3 1 336.524 1.378 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000519428809 448770162 /nfs/dbraw/zinc/77/01/62/448770162.db2.gz PGRSWBGDGAODGB-SFHVURJKSA-N 2 1 344.503 1.657 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)NCCCC[NH3+])c2cccs2)CC1 ZINC000574023819 448771477 /nfs/dbraw/zinc/77/14/77/448771477.db2.gz YUBFIHOGYAWMAY-AWEZNQCLSA-N 2 1 339.509 1.075 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529353170 448837709 /nfs/dbraw/zinc/83/77/09/448837709.db2.gz PLVDHVFLMPZKOQ-GDBMZVCRSA-N 2 1 336.480 1.166 20 0 EDADMP CCN1CCC([NH+]2CCC(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)CC2)CC1 ZINC000568210320 448838171 /nfs/dbraw/zinc/83/81/71/448838171.db2.gz VAPXTEJXLUZPQO-HDICACEKSA-N 3 1 348.535 1.203 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)CC2)CC1 ZINC000568210320 448838177 /nfs/dbraw/zinc/83/81/77/448838177.db2.gz VAPXTEJXLUZPQO-HDICACEKSA-N 2 1 348.535 1.203 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)CC2)CC1 ZINC000568210320 448838183 /nfs/dbraw/zinc/83/81/83/448838183.db2.gz VAPXTEJXLUZPQO-HDICACEKSA-N 2 1 348.535 1.203 20 0 EDADMP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000574365537 448854704 /nfs/dbraw/zinc/85/47/04/448854704.db2.gz VQOSUCXSCYYLOB-INIZCTEOSA-N 2 1 331.464 1.855 20 0 EDADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000574365537 448854709 /nfs/dbraw/zinc/85/47/09/448854709.db2.gz VQOSUCXSCYYLOB-INIZCTEOSA-N 2 1 331.464 1.855 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000568628247 448897561 /nfs/dbraw/zinc/89/75/61/448897561.db2.gz PQIWAVUWEYSNGY-HOTGVXAUSA-N 2 1 342.528 1.892 20 0 EDADMP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000574569186 448904375 /nfs/dbraw/zinc/90/43/75/448904375.db2.gz KCTMQXSADLNDQB-KDOFPFPSSA-N 2 1 328.460 1.738 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000520551141 448909763 /nfs/dbraw/zinc/90/97/63/448909763.db2.gz NSBRBXMEXQNRBS-UHFFFAOYSA-N 2 1 340.512 1.070 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000579927450 448910455 /nfs/dbraw/zinc/91/04/55/448910455.db2.gz VGUJTGNXJRTFJF-IAGOWNOFSA-N 2 1 337.508 1.604 20 0 EDADMP Cc1cc(C)n(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000520368553 448889124 /nfs/dbraw/zinc/88/91/24/448889124.db2.gz YQJMOZWXYRZQCM-UHFFFAOYSA-N 2 1 328.420 1.285 20 0 EDADMP C[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)[NH+]1CC(C)C1 ZINC000569502019 449034674 /nfs/dbraw/zinc/03/46/74/449034674.db2.gz QUQPKQIUJPGGFW-AWEZNQCLSA-N 2 1 327.469 1.059 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)COCc1ccccc1Cl ZINC000569363019 449014362 /nfs/dbraw/zinc/01/43/62/449014362.db2.gz WHCFZDJXEUFXIE-HZPDHXFCSA-N 2 1 342.867 1.264 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000521986776 449035664 /nfs/dbraw/zinc/03/56/64/449035664.db2.gz WBYYONTXTJSYGL-BZUAXINKSA-N 2 1 338.496 1.399 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592954682 449075407 /nfs/dbraw/zinc/07/54/07/449075407.db2.gz DGHVAEATOGRWRW-CABCVRRESA-N 2 1 333.480 1.714 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000582286126 449055688 /nfs/dbraw/zinc/05/56/88/449055688.db2.gz PZQZLGPFVMLSQB-QUCCMNQESA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+]1CCC[C@H](CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000582286126 449055692 /nfs/dbraw/zinc/05/56/92/449055692.db2.gz PZQZLGPFVMLSQB-QUCCMNQESA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+]1CCC[C@H](CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000582286126 449055697 /nfs/dbraw/zinc/05/56/97/449055697.db2.gz PZQZLGPFVMLSQB-QUCCMNQESA-N 2 1 345.487 1.472 20 0 EDADMP C[C@H](c1nccc(N)n1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000569620120 449058680 /nfs/dbraw/zinc/05/86/80/449058680.db2.gz YJUWVZCINSJASB-OAHLLOKOSA-N 2 1 332.496 1.469 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(CO)ccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000530225105 449088341 /nfs/dbraw/zinc/08/83/41/449088341.db2.gz WOLJUYXPXFALBQ-QAPCUYQASA-N 2 1 349.450 1.398 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000575409212 449095244 /nfs/dbraw/zinc/09/52/44/449095244.db2.gz DWTLMPKGSYHZDI-ZIFCJYIRSA-N 2 1 344.503 1.701 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000548808968 449099681 /nfs/dbraw/zinc/09/96/81/449099681.db2.gz FZKVTQOZVCRYKG-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000548808968 449099684 /nfs/dbraw/zinc/09/96/84/449099684.db2.gz FZKVTQOZVCRYKG-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000548808968 449099687 /nfs/dbraw/zinc/09/96/87/449099687.db2.gz FZKVTQOZVCRYKG-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP CC(C)OC(=O)CC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595911984 449249156 /nfs/dbraw/zinc/24/91/56/449249156.db2.gz VVBOWTDASCQZMH-OAHLLOKOSA-N 2 1 349.479 1.340 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000617347151 449568959 /nfs/dbraw/zinc/56/89/59/449568959.db2.gz GAGMMFOBLGQTKV-INIZCTEOSA-N 2 1 347.507 1.621 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000617347151 449568961 /nfs/dbraw/zinc/56/89/61/449568961.db2.gz GAGMMFOBLGQTKV-INIZCTEOSA-N 2 1 347.507 1.621 20 0 EDADMP CSC1(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCC1 ZINC000596579792 449560436 /nfs/dbraw/zinc/56/04/36/449560436.db2.gz DNLZMRMZPLZZNC-AWEZNQCLSA-N 2 1 330.542 1.843 20 0 EDADMP CSC1(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCC1 ZINC000596579792 449560443 /nfs/dbraw/zinc/56/04/43/449560443.db2.gz DNLZMRMZPLZZNC-AWEZNQCLSA-N 2 1 330.542 1.843 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc2c(c1)CCO2 ZINC000617504494 449651259 /nfs/dbraw/zinc/65/12/59/449651259.db2.gz YJAJQEBSQXXTCA-HNNXBMFYSA-N 2 1 333.476 1.552 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc2c(c1)CCO2 ZINC000617504494 449651265 /nfs/dbraw/zinc/65/12/65/449651265.db2.gz YJAJQEBSQXXTCA-HNNXBMFYSA-N 2 1 333.476 1.552 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(-n2ccnn2)c1 ZINC000617506190 449651907 /nfs/dbraw/zinc/65/19/07/449651907.db2.gz FBPQMHKKIHTUJT-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(-n2ccnn2)c1 ZINC000617506190 449651910 /nfs/dbraw/zinc/65/19/10/449651910.db2.gz FBPQMHKKIHTUJT-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000617505590 449653832 /nfs/dbraw/zinc/65/38/32/449653832.db2.gz JCRFLBXODNPXQQ-AWEZNQCLSA-N 2 1 348.491 1.668 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000617505590 449653838 /nfs/dbraw/zinc/65/38/38/449653838.db2.gz JCRFLBXODNPXQQ-AWEZNQCLSA-N 2 1 348.491 1.668 20 0 EDADMP CSc1c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cnn1C ZINC000617507042 449655815 /nfs/dbraw/zinc/65/58/15/449655815.db2.gz GETWBFCBAZFOKD-LBPRGKRZSA-N 2 1 327.498 1.144 20 0 EDADMP CSc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cnn1C ZINC000617507042 449655819 /nfs/dbraw/zinc/65/58/19/449655819.db2.gz GETWBFCBAZFOKD-LBPRGKRZSA-N 2 1 327.498 1.144 20 0 EDADMP CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000617551371 449683182 /nfs/dbraw/zinc/68/31/82/449683182.db2.gz PZEFUNXPSUFVBK-JKSUJKDBSA-N 2 1 325.522 1.757 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000617505075 449649204 /nfs/dbraw/zinc/64/92/04/449649204.db2.gz WKRHTRDZHHSXOU-INIZCTEOSA-N 3 1 334.508 1.750 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000617505075 449649208 /nfs/dbraw/zinc/64/92/08/449649208.db2.gz WKRHTRDZHHSXOU-INIZCTEOSA-N 3 1 334.508 1.750 20 0 EDADMP Cc1cc(OCC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1C(C)C ZINC000594874566 449788515 /nfs/dbraw/zinc/78/85/15/449788515.db2.gz BNNLGARTPNIAJU-MAUKXSAKSA-N 2 1 331.460 1.741 20 0 EDADMP Cc1cc(OCC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1C(C)C ZINC000594874566 449788521 /nfs/dbraw/zinc/78/85/21/449788521.db2.gz BNNLGARTPNIAJU-MAUKXSAKSA-N 2 1 331.460 1.741 20 0 EDADMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000599312975 449883381 /nfs/dbraw/zinc/88/33/81/449883381.db2.gz WMOCGMFXIJGKRP-KRWDZBQOSA-N 2 1 345.491 1.324 20 0 EDADMP C[C@@]1(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000612902543 449933942 /nfs/dbraw/zinc/93/39/42/449933942.db2.gz BPKOCIQNBZTJEH-IEBWSBKVSA-N 2 1 346.475 1.329 20 0 EDADMP COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000608784725 449937753 /nfs/dbraw/zinc/93/77/53/449937753.db2.gz OWENJAYTUVAAJT-INIZCTEOSA-N 2 1 337.464 1.147 20 0 EDADMP C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000615085720 449945483 /nfs/dbraw/zinc/94/54/83/449945483.db2.gz IHBLMWCWDMABOY-AWEZNQCLSA-N 2 1 328.416 1.660 20 0 EDADMP CC[N@@H+](CC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000617977192 449959814 /nfs/dbraw/zinc/95/98/14/449959814.db2.gz MUTJOQRKMIKWGE-UHFFFAOYSA-N 2 1 330.476 1.894 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603112265 450074571 /nfs/dbraw/zinc/07/45/71/450074571.db2.gz VFHIIZPITQPFSA-HNNXBMFYSA-N 2 1 326.485 1.807 20 0 EDADMP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000615266137 450028714 /nfs/dbraw/zinc/02/87/14/450028714.db2.gz LCIJTOYXIWGBQF-IRXDYDNUSA-N 2 1 341.415 1.203 20 0 EDADMP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000615266137 450028716 /nfs/dbraw/zinc/02/87/16/450028716.db2.gz LCIJTOYXIWGBQF-IRXDYDNUSA-N 2 1 341.415 1.203 20 0 EDADMP CN(CC1C[NH+](C)C1)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000618193285 450048565 /nfs/dbraw/zinc/04/85/65/450048565.db2.gz QKQOKGCMHNSYBX-SFHVURJKSA-N 2 1 331.460 1.298 20 0 EDADMP CN(CC1C[NH+](C)C1)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000618193285 450048572 /nfs/dbraw/zinc/04/85/72/450048572.db2.gz QKQOKGCMHNSYBX-SFHVURJKSA-N 2 1 331.460 1.298 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000595554393 450228622 /nfs/dbraw/zinc/22/86/22/450228622.db2.gz MTFMJRSOEACASP-ARFHVFGLSA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000595554393 450228626 /nfs/dbraw/zinc/22/86/26/450228626.db2.gz MTFMJRSOEACASP-ARFHVFGLSA-N 2 1 339.480 1.203 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)cs1 ZINC000597780116 450250633 /nfs/dbraw/zinc/25/06/33/450250633.db2.gz MHAQOSDXZQVRKK-OAHLLOKOSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CCC[N@H+](C)C3)CC2)cs1 ZINC000597780116 450250636 /nfs/dbraw/zinc/25/06/36/450250636.db2.gz MHAQOSDXZQVRKK-OAHLLOKOSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623380086 450509386 /nfs/dbraw/zinc/50/93/86/450509386.db2.gz RLXWFWLJBSUDON-OAHLLOKOSA-N 2 1 339.505 1.736 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623380086 450509389 /nfs/dbraw/zinc/50/93/89/450509389.db2.gz RLXWFWLJBSUDON-OAHLLOKOSA-N 2 1 339.505 1.736 20 0 EDADMP [NH3+]Cc1cc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc(C(F)(F)F)c1 ZINC000625897180 450531229 /nfs/dbraw/zinc/53/12/29/450531229.db2.gz QWYWMGUPDVTCDZ-CYBMUJFWSA-N 2 1 346.353 1.352 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000620724151 450533423 /nfs/dbraw/zinc/53/34/23/450533423.db2.gz WSBKZHUABMZKCZ-ROUUACIJSA-N 2 1 330.476 1.013 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000620724151 450533424 /nfs/dbraw/zinc/53/34/24/450533424.db2.gz WSBKZHUABMZKCZ-ROUUACIJSA-N 2 1 330.476 1.013 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000620724151 450533425 /nfs/dbraw/zinc/53/34/25/450533425.db2.gz WSBKZHUABMZKCZ-ROUUACIJSA-N 2 1 330.476 1.013 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000620724151 450533426 /nfs/dbraw/zinc/53/34/26/450533426.db2.gz WSBKZHUABMZKCZ-ROUUACIJSA-N 2 1 330.476 1.013 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C2 ZINC000620978075 450568479 /nfs/dbraw/zinc/56/84/79/450568479.db2.gz CQJYOOBATNGAAQ-NVXWUHKLSA-N 2 1 334.464 1.323 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000621099704 450580375 /nfs/dbraw/zinc/58/03/75/450580375.db2.gz ZRWBNXBDJARPMV-INIZCTEOSA-N 2 1 333.480 1.297 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000627363054 450676686 /nfs/dbraw/zinc/67/66/86/450676686.db2.gz DQBPWULAPHSBCD-OWCLPIDISA-N 2 1 338.496 1.014 20 0 EDADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000629417942 450663243 /nfs/dbraw/zinc/66/32/43/450663243.db2.gz LICNKEFBXYSFQO-CALCHBBNSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623900687 450630300 /nfs/dbraw/zinc/63/03/00/450630300.db2.gz PZRQZQKNAFZNDB-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623900687 450630306 /nfs/dbraw/zinc/63/03/06/450630306.db2.gz PZRQZQKNAFZNDB-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623900687 450630310 /nfs/dbraw/zinc/63/03/10/450630310.db2.gz PZRQZQKNAFZNDB-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629542800 450728644 /nfs/dbraw/zinc/72/86/44/450728644.db2.gz MGTVFJHTRJLGLS-SJORKVTESA-N 2 1 329.448 1.110 20 0 EDADMP Cc1ccncc1C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629542800 450728647 /nfs/dbraw/zinc/72/86/47/450728647.db2.gz MGTVFJHTRJLGLS-SJORKVTESA-N 2 1 329.448 1.110 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629542797 450729467 /nfs/dbraw/zinc/72/94/67/450729467.db2.gz MGTVFJHTRJLGLS-DLBZAZTESA-N 2 1 329.448 1.110 20 0 EDADMP Cc1ccncc1C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629542797 450729474 /nfs/dbraw/zinc/72/94/74/450729474.db2.gz MGTVFJHTRJLGLS-DLBZAZTESA-N 2 1 329.448 1.110 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521313 450723771 /nfs/dbraw/zinc/72/37/71/450723771.db2.gz PTFBHKURNOPGOD-CYBMUJFWSA-N 2 1 341.477 1.109 20 0 EDADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000629521698 450725088 /nfs/dbraw/zinc/72/50/88/450725088.db2.gz RJSHBEUSMUTDFY-GFCCVEGCSA-N 2 1 327.450 1.217 20 0 EDADMP O=C1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000629565593 450739488 /nfs/dbraw/zinc/73/94/88/450739488.db2.gz QMIPFUFRKQZXHY-OKYOBFRVSA-N 2 1 343.471 1.190 20 0 EDADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629577905 450746319 /nfs/dbraw/zinc/74/63/19/450746319.db2.gz FDBUMSFDOBYHAV-AWEZNQCLSA-N 2 1 333.432 1.859 20 0 EDADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629577905 450746323 /nfs/dbraw/zinc/74/63/23/450746323.db2.gz FDBUMSFDOBYHAV-AWEZNQCLSA-N 2 1 333.432 1.859 20 0 EDADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000629578709 450746371 /nfs/dbraw/zinc/74/63/71/450746371.db2.gz DPZBIYPDDWQAJD-GFCCVEGCSA-N 2 1 343.855 1.891 20 0 EDADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000629578709 450746375 /nfs/dbraw/zinc/74/63/75/450746375.db2.gz DPZBIYPDDWQAJD-GFCCVEGCSA-N 2 1 343.855 1.891 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000631759278 450754478 /nfs/dbraw/zinc/75/44/78/450754478.db2.gz VPIJNOWZOHDSSX-HUUCEWRRSA-N 2 1 331.526 1.368 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2)[NH+](C)C ZINC000635254807 450786316 /nfs/dbraw/zinc/78/63/16/450786316.db2.gz IGODEPWFMCUPSY-YVWKXTFCSA-N 2 1 345.487 1.591 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000631827062 450799640 /nfs/dbraw/zinc/79/96/40/450799640.db2.gz DNTZRJKXZVZURN-RYRKJORJSA-N 2 1 330.476 1.232 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCc4ccccc4)C3)C[C@H]21 ZINC000627655458 450870972 /nfs/dbraw/zinc/87/09/72/450870972.db2.gz RNFPYVBFFRHGGO-VNTMZGSJSA-N 2 1 341.499 1.960 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000631950324 450909930 /nfs/dbraw/zinc/90/99/30/450909930.db2.gz FZZOCPKIELUZDK-HZPDHXFCSA-N 2 1 337.489 1.146 20 0 EDADMP C[N@H+](CC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CCC1 ZINC000629950875 450910291 /nfs/dbraw/zinc/91/02/91/450910291.db2.gz FFCRGWPBFVKIQO-UHFFFAOYSA-N 2 1 331.460 1.984 20 0 EDADMP C[N@@H+](CC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CCC1 ZINC000629950875 450910295 /nfs/dbraw/zinc/91/02/95/450910295.db2.gz FFCRGWPBFVKIQO-UHFFFAOYSA-N 2 1 331.460 1.984 20 0 EDADMP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000629986772 450935482 /nfs/dbraw/zinc/93/54/82/450935482.db2.gz BQGWKTAJHIAPAY-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000629986772 450935487 /nfs/dbraw/zinc/93/54/87/450935487.db2.gz BQGWKTAJHIAPAY-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000629986772 450935491 /nfs/dbraw/zinc/93/54/91/450935491.db2.gz BQGWKTAJHIAPAY-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000635459683 450959710 /nfs/dbraw/zinc/95/97/10/450959710.db2.gz JYQVPYMYCDOEBW-KRWDZBQOSA-N 2 1 344.503 1.889 20 0 EDADMP CN(CCOCC[NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000626953726 451031210 /nfs/dbraw/zinc/03/12/10/451031210.db2.gz CXPFKFKRIBALFR-GOSISDBHSA-N 2 1 348.491 1.658 20 0 EDADMP C[C@H](CNC(=O)N(C)CCOCC[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000626953311 451031430 /nfs/dbraw/zinc/03/14/30/451031430.db2.gz QCHWAQUNIIFAKJ-OAHLLOKOSA-N 2 1 334.464 1.050 20 0 EDADMP CC[NH+]1CCN([C@@H](C)CNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000635556405 451053720 /nfs/dbraw/zinc/05/37/20/451053720.db2.gz PXGCCBACBFYPKR-SFHVURJKSA-N 2 1 346.519 1.303 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000632128193 451057698 /nfs/dbraw/zinc/05/76/98/451057698.db2.gz SQDXOFFLQOXLGW-GDBMZVCRSA-N 2 1 341.521 1.359 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000632128193 451057700 /nfs/dbraw/zinc/05/77/00/451057700.db2.gz SQDXOFFLQOXLGW-GDBMZVCRSA-N 2 1 341.521 1.359 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+]3C3CCCC3)C2)CC1 ZINC000635551587 451048083 /nfs/dbraw/zinc/04/80/83/451048083.db2.gz NWFKCYXGXXDGQG-YJBOKZPZSA-N 2 1 334.508 1.288 20 0 EDADMP [NH3+]C1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000627150832 451149981 /nfs/dbraw/zinc/14/99/81/451149981.db2.gz BYOIUXQOEVOQIZ-GOEBONIOSA-N 2 1 336.480 1.153 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627176355 451166216 /nfs/dbraw/zinc/16/62/16/451166216.db2.gz RJPHYYNEQZWBTE-MRXNPFEDSA-N 2 1 334.464 1.138 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000627176355 451166218 /nfs/dbraw/zinc/16/62/18/451166218.db2.gz RJPHYYNEQZWBTE-MRXNPFEDSA-N 2 1 334.464 1.138 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632288852 451174631 /nfs/dbraw/zinc/17/46/31/451174631.db2.gz MLNBRKZBHKSTHJ-OAHLLOKOSA-N 2 1 331.526 1.512 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](CCc3cccs3)CC2)C[NH2+]1 ZINC000627194157 451179325 /nfs/dbraw/zinc/17/93/25/451179325.db2.gz CPNBERUGPOVKHQ-HUUCEWRRSA-N 2 1 336.505 1.758 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248040 451206761 /nfs/dbraw/zinc/20/67/61/451206761.db2.gz DDOMMDOLQLXNGW-IAGOWNOFSA-N 2 1 331.464 1.439 20 0 EDADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000635743395 451213308 /nfs/dbraw/zinc/21/33/08/451213308.db2.gz NVSCSRQFQTXOSH-QZTJIDSGSA-N 2 1 345.487 1.327 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000638096645 451260276 /nfs/dbraw/zinc/26/02/76/451260276.db2.gz PNPNPNKZRLDCDJ-DAYGRLMNSA-N 2 1 335.448 1.608 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000638098684 451263762 /nfs/dbraw/zinc/26/37/62/451263762.db2.gz DDSXDHNTDQHWQF-BMGDILEWSA-N 2 1 331.460 1.520 20 0 EDADMP COc1ccc(Cl)c(-n2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000630590255 451265771 /nfs/dbraw/zinc/26/57/71/451265771.db2.gz YWKXFDFETMYZFT-UHFFFAOYSA-N 2 1 335.839 1.895 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638101019 451267347 /nfs/dbraw/zinc/26/73/47/451267347.db2.gz MEOLZSJJARKEMC-MSOLQXFVSA-N 2 1 332.492 1.436 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638101019 451267353 /nfs/dbraw/zinc/26/73/53/451267353.db2.gz MEOLZSJJARKEMC-MSOLQXFVSA-N 2 1 332.492 1.436 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638101019 451267360 /nfs/dbraw/zinc/26/73/60/451267360.db2.gz MEOLZSJJARKEMC-MSOLQXFVSA-N 2 1 332.492 1.436 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000638102228 451268463 /nfs/dbraw/zinc/26/84/63/451268463.db2.gz UHCBZBQSPINMGN-ZWKOTPCHSA-N 2 1 330.476 1.046 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000638102228 451268470 /nfs/dbraw/zinc/26/84/70/451268470.db2.gz UHCBZBQSPINMGN-ZWKOTPCHSA-N 2 1 330.476 1.046 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000638102228 451268478 /nfs/dbraw/zinc/26/84/78/451268478.db2.gz UHCBZBQSPINMGN-ZWKOTPCHSA-N 2 1 330.476 1.046 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000638103196 451270174 /nfs/dbraw/zinc/27/01/74/451270174.db2.gz LRVSUDWSPXXXIF-LBKNJMOBSA-N 2 1 345.487 1.923 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000635853551 451301958 /nfs/dbraw/zinc/30/19/58/451301958.db2.gz ISLLZVULFFAPSI-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000635853551 451301964 /nfs/dbraw/zinc/30/19/64/451301964.db2.gz ISLLZVULFFAPSI-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000635853551 451301966 /nfs/dbraw/zinc/30/19/66/451301966.db2.gz ISLLZVULFFAPSI-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000638131959 451303336 /nfs/dbraw/zinc/30/33/36/451303336.db2.gz FFEWGIVYNXFKDG-SOLBZPMBSA-N 2 1 331.460 1.650 20 0 EDADMP C[C@H]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638131532 451304398 /nfs/dbraw/zinc/30/43/98/451304398.db2.gz RHRQRWQKHPOONT-QFBILLFUSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)N2CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638137884 451313680 /nfs/dbraw/zinc/31/36/80/451313680.db2.gz PUEFJKUXWNKROO-MSOLQXFVSA-N 2 1 338.540 1.055 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000638160996 451329566 /nfs/dbraw/zinc/32/95/66/451329566.db2.gz MWBIKBKEBWYNCB-SFHVURJKSA-N 2 1 342.443 1.422 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000640531086 451382545 /nfs/dbraw/zinc/38/25/45/451382545.db2.gz DMUXXBSTDNHVNB-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638254873 451383288 /nfs/dbraw/zinc/38/32/88/451383288.db2.gz JALKKFVLBINKPF-JENIJYKNSA-N 2 1 331.460 1.379 20 0 EDADMP C[N@H+]1CCCC[C@H](CNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000628749188 451396967 /nfs/dbraw/zinc/39/69/67/451396967.db2.gz IIYUPJFIMVYRLD-UYAOXDASSA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000628749188 451396973 /nfs/dbraw/zinc/39/69/73/451396973.db2.gz IIYUPJFIMVYRLD-UYAOXDASSA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000628749188 451396978 /nfs/dbraw/zinc/39/69/78/451396978.db2.gz IIYUPJFIMVYRLD-UYAOXDASSA-N 2 1 345.487 1.472 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@H]1CCCC[N@H+](C)C1)n2C ZINC000628752304 451398237 /nfs/dbraw/zinc/39/82/37/451398237.db2.gz YZNUTSBZGBZZFI-CYBMUJFWSA-N 2 1 344.463 1.496 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@H]1CCCC[N@@H+](C)C1)n2C ZINC000628752304 451398243 /nfs/dbraw/zinc/39/82/43/451398243.db2.gz YZNUTSBZGBZZFI-CYBMUJFWSA-N 2 1 344.463 1.496 20 0 EDADMP COC[C@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCC[NH2+]1 ZINC000638287247 451404095 /nfs/dbraw/zinc/40/40/95/451404095.db2.gz UVHQPCYIPMJCQM-HQRMLTQVSA-N 2 1 345.487 1.782 20 0 EDADMP CN(C)C(=O)c1cccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638334964 451439978 /nfs/dbraw/zinc/43/99/78/451439978.db2.gz FRDQRXMXMKIQPB-UHFFFAOYSA-N 2 1 333.476 1.713 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000638307455 451420941 /nfs/dbraw/zinc/42/09/41/451420941.db2.gz FAFRJIHBRWCLIL-PKOBYXMFSA-N 2 1 327.472 1.818 20 0 EDADMP C[NH+](C)Cc1ccnc(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000640577758 451422634 /nfs/dbraw/zinc/42/26/34/451422634.db2.gz YMVCHPTZVJZGIK-MRXNPFEDSA-N 2 1 347.463 1.206 20 0 EDADMP COC[C@]1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCC[NH2+]1 ZINC000638309788 451423259 /nfs/dbraw/zinc/42/32/59/451423259.db2.gz NNGUWJXVZJODFQ-IEZWGBDMSA-N 2 1 335.492 1.620 20 0 EDADMP C[C@H](NC(=O)[C@]1(C[NH3+])CCCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638310001 451424575 /nfs/dbraw/zinc/42/45/75/451424575.db2.gz UYOPSNKNEVENGX-HQRMLTQVSA-N 2 1 345.487 1.769 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630871007 451451958 /nfs/dbraw/zinc/45/19/58/451451958.db2.gz FDGLQAHHXKKIJN-QGZVFWFLSA-N 2 1 335.496 1.829 20 0 EDADMP CC[C@@](C)(C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)OC ZINC000638364757 451461256 /nfs/dbraw/zinc/46/12/56/451461256.db2.gz PEYCYUFREKPULF-IBGZPJMESA-N 2 1 333.476 1.979 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)ccn1 ZINC000640616806 451464160 /nfs/dbraw/zinc/46/41/60/451464160.db2.gz ROCNOPKSMULAPT-HNNXBMFYSA-N 2 1 335.452 1.112 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)ccn1 ZINC000640616806 451464164 /nfs/dbraw/zinc/46/41/64/451464164.db2.gz ROCNOPKSMULAPT-HNNXBMFYSA-N 2 1 335.452 1.112 20 0 EDADMP CCc1nncn1CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634705770 451481868 /nfs/dbraw/zinc/48/18/68/451481868.db2.gz FTIGPJXMDZTSKA-SFHVURJKSA-N 2 1 329.448 1.067 20 0 EDADMP CCc1nncn1CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634705770 451481874 /nfs/dbraw/zinc/48/18/74/451481874.db2.gz FTIGPJXMDZTSKA-SFHVURJKSA-N 2 1 329.448 1.067 20 0 EDADMP C[N@@H+](CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)CC(C)(C)C ZINC000638393533 451483362 /nfs/dbraw/zinc/48/33/62/451483362.db2.gz RVYVSDVKHSTSOH-OAGGEKHMSA-N 2 1 325.497 1.852 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638402856 451490646 /nfs/dbraw/zinc/49/06/46/451490646.db2.gz DFUVZRPTZROLPY-XLIONFOSSA-N 2 1 345.487 1.721 20 0 EDADMP Cc1cncc(CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000634649599 451445059 /nfs/dbraw/zinc/44/50/59/451445059.db2.gz QGEYDTYETMEFTF-LJQANCHMSA-N 2 1 326.444 1.554 20 0 EDADMP Cc1cncc(CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000634649599 451445061 /nfs/dbraw/zinc/44/50/61/451445061.db2.gz QGEYDTYETMEFTF-LJQANCHMSA-N 2 1 326.444 1.554 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)CC(C)(C)C ZINC000638341171 451445346 /nfs/dbraw/zinc/44/53/46/451445346.db2.gz NSZWCSONQKQRFK-RDJZCZTQSA-N 2 1 325.497 1.709 20 0 EDADMP OCCC[N@H+]1CCC[C@H]1CNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634721247 451501336 /nfs/dbraw/zinc/50/13/36/451501336.db2.gz VRRKVPONFGJLKR-VQTJNVASSA-N 2 1 347.503 1.060 20 0 EDADMP OCCC[NH+]1CCC[C@H]1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721247 451501340 /nfs/dbraw/zinc/50/13/40/451501340.db2.gz VRRKVPONFGJLKR-VQTJNVASSA-N 2 1 347.503 1.060 20 0 EDADMP OCCC[NH+]1CCC[C@H]1CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721247 451501345 /nfs/dbraw/zinc/50/13/45/451501345.db2.gz VRRKVPONFGJLKR-VQTJNVASSA-N 2 1 347.503 1.060 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638416329 451502931 /nfs/dbraw/zinc/50/29/31/451502931.db2.gz RFKWNJNFABLLSY-HKUYNNGSSA-N 2 1 331.460 1.140 20 0 EDADMP CC[NH2+][C@H](C)C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000638420962 451505123 /nfs/dbraw/zinc/50/51/23/451505123.db2.gz RAJPKBAXMVQCQD-MRXNPFEDSA-N 2 1 330.476 1.455 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764942 451534009 /nfs/dbraw/zinc/53/40/09/451534009.db2.gz HDKKPRNSCYLDDG-IAGOWNOFSA-N 2 1 332.492 1.340 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764942 451534012 /nfs/dbraw/zinc/53/40/12/451534012.db2.gz HDKKPRNSCYLDDG-IAGOWNOFSA-N 2 1 332.492 1.340 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000638505826 451550662 /nfs/dbraw/zinc/55/06/62/451550662.db2.gz OTBJFFQAMQARNF-SFHVURJKSA-N 2 1 342.487 1.448 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3cnccn3)CC2)CC1 ZINC000636151010 451550648 /nfs/dbraw/zinc/55/06/48/451550648.db2.gz HFSGFRKYPBWSEJ-HNNXBMFYSA-N 2 1 345.491 1.850 20 0 EDADMP COCCc1ncc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)s1 ZINC000631066178 451563886 /nfs/dbraw/zinc/56/38/86/451563886.db2.gz ZQFUGVRWHJWLNZ-UHFFFAOYSA-N 2 1 340.537 1.695 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638547314 451570962 /nfs/dbraw/zinc/57/09/62/451570962.db2.gz AVHWQKOVMFHRGC-UHFFFAOYSA-N 2 1 345.274 1.829 20 0 EDADMP CO[C@H](C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)Cc1ccccc1 ZINC000638570567 451581764 /nfs/dbraw/zinc/58/17/64/451581764.db2.gz DSKFCGBFRKJADC-ROUUACIJSA-N 2 1 333.476 1.421 20 0 EDADMP CO[C@@H](C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000638570948 451582478 /nfs/dbraw/zinc/58/24/78/451582478.db2.gz DITJISSGAHKQAZ-SJORKVTESA-N 2 1 325.497 1.759 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638570740 451582886 /nfs/dbraw/zinc/58/28/86/451582886.db2.gz GTWLHERPVDDBIA-ZWKOTPCHSA-N 2 1 344.503 1.690 20 0 EDADMP CO[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000638586499 451590489 /nfs/dbraw/zinc/59/04/89/451590489.db2.gz UCTYIYKPBUVSRD-RTBURBONSA-N 2 1 345.487 1.899 20 0 EDADMP CO[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000638586497 451590600 /nfs/dbraw/zinc/59/06/00/451590600.db2.gz UCTYIYKPBUVSRD-RBUKOAKNSA-N 2 1 345.487 1.899 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636922404 451610283 /nfs/dbraw/zinc/61/02/83/451610283.db2.gz RJUYLULLHAHHAH-DYVFJYSZSA-N 2 1 346.479 1.754 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NC[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000636989978 451664797 /nfs/dbraw/zinc/66/47/97/451664797.db2.gz YPWIYERJINIVLC-YVSFHVDLSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000636989978 451664801 /nfs/dbraw/zinc/66/48/01/451664801.db2.gz YPWIYERJINIVLC-YVSFHVDLSA-N 2 1 338.496 1.412 20 0 EDADMP C[NH2+][C@H](C(=O)N(C)CCOCC[NH3+])c1cccc(Cl)c1Cl ZINC000638669393 451641695 /nfs/dbraw/zinc/64/16/95/451641695.db2.gz BFLOAUVUOJUZQX-ZDUSSCGKSA-N 2 1 334.247 1.688 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC[N@H+]1CCOC ZINC000637001854 451672312 /nfs/dbraw/zinc/67/23/12/451672312.db2.gz OPSTWPMZZXGLJZ-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000637032463 451689297 /nfs/dbraw/zinc/68/92/97/451689297.db2.gz AYOPMUVLEYGUNA-VYDXJSESSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+]1CC[C@H](O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637032463 451689301 /nfs/dbraw/zinc/68/93/01/451689301.db2.gz AYOPMUVLEYGUNA-VYDXJSESSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+]1CC[C@H](O)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000637032463 451689305 /nfs/dbraw/zinc/68/93/05/451689305.db2.gz AYOPMUVLEYGUNA-VYDXJSESSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000637032466 451689747 /nfs/dbraw/zinc/68/97/47/451689747.db2.gz AYOPMUVLEYGUNA-ZOBUZTSGSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@H](NC(=O)NCC[NH+]1CC[C@H](O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637032466 451689749 /nfs/dbraw/zinc/68/97/49/451689749.db2.gz AYOPMUVLEYGUNA-ZOBUZTSGSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@H](NC(=O)NCC[NH+]1CC[C@H](O)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000637032466 451689752 /nfs/dbraw/zinc/68/97/52/451689752.db2.gz AYOPMUVLEYGUNA-ZOBUZTSGSA-N 2 1 338.496 1.005 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638800650 451694968 /nfs/dbraw/zinc/69/49/68/451694968.db2.gz OBJCKFHJBAWNHR-UYAOXDASSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638850808 451710154 /nfs/dbraw/zinc/71/01/54/451710154.db2.gz JOXBYENLZWZMSG-CAIZAGQASA-N 2 1 343.471 1.107 20 0 EDADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)c1 ZINC000638851433 451710430 /nfs/dbraw/zinc/71/04/30/451710430.db2.gz LCTPDHUTNFAUBX-UHFFFAOYSA-N 2 1 339.486 1.747 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638856939 451712170 /nfs/dbraw/zinc/71/21/70/451712170.db2.gz WJTQULSFLHFDFP-SZMVWBNQSA-N 2 1 333.476 1.623 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@]3(C[NH3+])CCCOC3)C2)cc1 ZINC000639002133 451750855 /nfs/dbraw/zinc/75/08/55/451750855.db2.gz XNFBALPXWGGWJH-IEBWSBKVSA-N 2 1 331.460 1.441 20 0 EDADMP [NH3+][C@H]1CC[C@H](NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000639043665 451756598 /nfs/dbraw/zinc/75/65/98/451756598.db2.gz YOMLWOGQBOFVTL-KZNAEPCWSA-N 2 1 331.460 1.664 20 0 EDADMP [NH3+][C@H]1CC[C@H](NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000639043665 451756599 /nfs/dbraw/zinc/75/65/99/451756599.db2.gz YOMLWOGQBOFVTL-KZNAEPCWSA-N 2 1 331.460 1.664 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn([C@H]3CCc4ccc(F)cc43)nn2)CC1 ZINC000641136154 451759021 /nfs/dbraw/zinc/75/90/21/451759021.db2.gz GFHAOBVGKSUTHM-SFHVURJKSA-N 2 1 329.423 1.918 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[NH2+]C2CCCC2)nn1 ZINC000641215121 451784121 /nfs/dbraw/zinc/78/41/21/451784121.db2.gz NJHOIKLZRITJMA-LJQANCHMSA-N 2 1 343.475 1.803 20 0 EDADMP CO[C@]1(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000639171221 451784614 /nfs/dbraw/zinc/78/46/14/451784614.db2.gz KICNIZHIXJFIOZ-FQEVSTJZSA-N 2 1 347.503 1.542 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CCO2 ZINC000649131716 451866297 /nfs/dbraw/zinc/86/62/97/451866297.db2.gz XZUOLRCSTTXFAY-QGZVFWFLSA-N 2 1 335.492 1.717 20 0 EDADMP CC(C)C[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639432506 451867923 /nfs/dbraw/zinc/86/79/23/451867923.db2.gz HNAQXIYDPAJBGW-HXUWFJFHSA-N 2 1 331.504 1.897 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cccc3c2CCN(C)C3)C1 ZINC000641366067 451898682 /nfs/dbraw/zinc/89/86/82/451898682.db2.gz VKLWXQBGHDHUFN-CQSZACIVSA-N 2 1 337.489 1.295 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CCO1 ZINC000646846776 451884081 /nfs/dbraw/zinc/88/40/81/451884081.db2.gz WFFXSQYKAYZPJT-CQDKDKBSSA-N 2 1 325.840 1.517 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000637473410 451890394 /nfs/dbraw/zinc/89/03/94/451890394.db2.gz DMBIVSYHJITLLG-INIZCTEOSA-N 2 1 338.496 1.101 20 0 EDADMP CN(C(=O)[C@H]1CCc2cncn2C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000649213592 451907777 /nfs/dbraw/zinc/90/77/77/451907777.db2.gz AFZQPIYBOMYGIO-MAUKXSAKSA-N 3 1 345.491 1.072 20 0 EDADMP CN(C(=O)[C@H]1CCc2cncn2C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000649213592 451907787 /nfs/dbraw/zinc/90/77/87/451907787.db2.gz AFZQPIYBOMYGIO-MAUKXSAKSA-N 3 1 345.491 1.072 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)cc2)CC1 ZINC000646914960 451932777 /nfs/dbraw/zinc/93/27/77/451932777.db2.gz HAVJSBBHNQQXGH-PKOBYXMFSA-N 2 1 342.487 1.605 20 0 EDADMP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000649268484 451941163 /nfs/dbraw/zinc/94/11/63/451941163.db2.gz LHQOPSNYYPGEGZ-MRXNPFEDSA-N 2 1 337.414 1.966 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649288528 451962197 /nfs/dbraw/zinc/96/21/97/451962197.db2.gz WWEJEZCCIUSBSP-QFBILLFUSA-N 2 1 345.487 1.913 20 0 EDADMP CCCN(C(=O)COCC[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000649300584 451976896 /nfs/dbraw/zinc/97/68/96/451976896.db2.gz BNPGZDFLCFGODZ-GOSISDBHSA-N 2 1 333.476 1.865 20 0 EDADMP C[N@H+]1CC[C@](N)(C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000649305400 451981116 /nfs/dbraw/zinc/98/11/16/451981116.db2.gz PTGCBMAKCKPNQJ-IEBWSBKVSA-N 2 1 330.476 1.190 20 0 EDADMP C[NH+]1CC[C@](N)(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000649305400 451981121 /nfs/dbraw/zinc/98/11/21/451981121.db2.gz PTGCBMAKCKPNQJ-IEBWSBKVSA-N 2 1 330.476 1.190 20 0 EDADMP C[NH+]1CC[C@](N)(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000649305400 451981126 /nfs/dbraw/zinc/98/11/26/451981126.db2.gz PTGCBMAKCKPNQJ-IEBWSBKVSA-N 2 1 330.476 1.190 20 0 EDADMP C[N@H+]1CC[C@@](N)(C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000649305276 451981216 /nfs/dbraw/zinc/98/12/16/451981216.db2.gz KCCPBQQMTJZIDT-MJGOQNOKSA-N 2 1 330.476 1.048 20 0 EDADMP C[NH+]1CC[C@@](N)(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000649305276 451981220 /nfs/dbraw/zinc/98/12/20/451981220.db2.gz KCCPBQQMTJZIDT-MJGOQNOKSA-N 2 1 330.476 1.048 20 0 EDADMP C[NH+]1CC[C@@](N)(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000649305276 451981223 /nfs/dbraw/zinc/98/12/23/451981223.db2.gz KCCPBQQMTJZIDT-MJGOQNOKSA-N 2 1 330.476 1.048 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c2)CCO1 ZINC000649308116 451984484 /nfs/dbraw/zinc/98/44/84/451984484.db2.gz LSZWGLLQMSGBFW-PILAGYSTSA-N 2 1 329.444 1.274 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c2)CCO1 ZINC000649308116 451984492 /nfs/dbraw/zinc/98/44/92/451984492.db2.gz LSZWGLLQMSGBFW-PILAGYSTSA-N 2 1 329.444 1.274 20 0 EDADMP COC[C@]1(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCC[NH2+]1 ZINC000649311408 451989257 /nfs/dbraw/zinc/98/92/57/451989257.db2.gz OGUVPUFGQXXKKQ-AOIWGVFYSA-N 2 1 337.508 1.868 20 0 EDADMP COC[C@]1(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000649317595 451995637 /nfs/dbraw/zinc/99/56/37/451995637.db2.gz GGKDSJDXDKVPAP-QAPCUYQASA-N 2 1 335.448 1.610 20 0 EDADMP CCOC[C@@H](O)C[NH+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000649327531 452008077 /nfs/dbraw/zinc/00/80/77/452008077.db2.gz ZTRCJZMQKYRAGW-ZWKOTPCHSA-N 2 1 349.475 1.008 20 0 EDADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000647034970 452017199 /nfs/dbraw/zinc/01/71/99/452017199.db2.gz MQKNGAMQYSMMPR-IKGGRYGDSA-N 2 1 334.439 1.452 20 0 EDADMP O[C@@H](COC1CCOCC1)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681951 452020617 /nfs/dbraw/zinc/02/06/17/452020617.db2.gz AZNFAAQJGHPIMX-QGZVFWFLSA-N 2 1 335.448 1.150 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649340112 452021778 /nfs/dbraw/zinc/02/17/78/452021778.db2.gz CRXPEOLZYXLHGV-AITUJVMLSA-N 2 1 345.487 1.767 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649340112 452021784 /nfs/dbraw/zinc/02/17/84/452021784.db2.gz CRXPEOLZYXLHGV-AITUJVMLSA-N 2 1 345.487 1.767 20 0 EDADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000649352824 452037626 /nfs/dbraw/zinc/03/76/26/452037626.db2.gz OJYDPPFAMWMFPP-ZWKOTPCHSA-N 2 1 330.476 1.233 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC[N@H+]1CCOC ZINC000649379306 452052751 /nfs/dbraw/zinc/05/27/51/452052751.db2.gz ZPIYGLCSKXXALE-KGLIPLIRSA-N 2 1 333.423 1.191 20 0 EDADMP [NH3+]C1(CC(=O)NC[C@H]2CCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000637828452 452103583 /nfs/dbraw/zinc/10/35/83/452103583.db2.gz ZOWHFYIUFBEIAJ-QGZVFWFLSA-N 3 1 330.476 1.238 20 0 EDADMP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637827230 452104316 /nfs/dbraw/zinc/10/43/16/452104316.db2.gz OBMNNLGGZGUKKP-CMKODMSKSA-N 2 1 343.471 1.393 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000647179670 452109267 /nfs/dbraw/zinc/10/92/67/452109267.db2.gz KQAJLGINTPGXDI-LLVKDONJSA-N 2 1 340.424 1.404 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637847794 452113336 /nfs/dbraw/zinc/11/33/36/452113336.db2.gz DFTRAUMHQDPBIC-QWFCFKBJSA-N 2 1 345.487 1.625 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC000645015361 452115321 /nfs/dbraw/zinc/11/53/21/452115321.db2.gz TUSFGWIOXYIIHL-QGZVFWFLSA-N 2 1 326.404 1.827 20 0 EDADMP Cn1nnnc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647198353 452120214 /nfs/dbraw/zinc/12/02/14/452120214.db2.gz AZMONLCDAHXRQF-INIZCTEOSA-N 2 1 326.448 1.539 20 0 EDADMP Cn1nnnc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647198353 452120219 /nfs/dbraw/zinc/12/02/19/452120219.db2.gz AZMONLCDAHXRQF-INIZCTEOSA-N 2 1 326.448 1.539 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643300200 452122680 /nfs/dbraw/zinc/12/26/80/452122680.db2.gz GJZCLRQQTAICQZ-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643300200 452122685 /nfs/dbraw/zinc/12/26/85/452122685.db2.gz GJZCLRQQTAICQZ-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)C1 ZINC000645095061 452148094 /nfs/dbraw/zinc/14/80/94/452148094.db2.gz VDZAHKRYCRTDCU-OALUTQOASA-N 2 1 335.467 1.441 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)C1 ZINC000645095061 452148101 /nfs/dbraw/zinc/14/81/01/452148101.db2.gz VDZAHKRYCRTDCU-OALUTQOASA-N 2 1 335.467 1.441 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1)N1CC[NH2+]CC1 ZINC000647486401 452230106 /nfs/dbraw/zinc/23/01/06/452230106.db2.gz LNAFHHXKAARTRI-AWEZNQCLSA-N 2 1 348.516 1.666 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000641752297 452237677 /nfs/dbraw/zinc/23/76/77/452237677.db2.gz WQRNYFPNIAIFEV-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP CN(CC[NH+]1CCCCC1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000652057885 452250720 /nfs/dbraw/zinc/25/07/20/452250720.db2.gz ZHHXPKPKMYJFCG-UHFFFAOYSA-N 2 1 332.496 1.146 20 0 EDADMP c1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nnn1Cc1cccnc1 ZINC000647543288 452274511 /nfs/dbraw/zinc/27/45/11/452274511.db2.gz KORXOWFABMDVRM-ZWKOTPCHSA-N 2 1 340.475 1.933 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000659431208 452277623 /nfs/dbraw/zinc/27/76/23/452277623.db2.gz LCKSKBCHQWJVRC-UHFFFAOYSA-N 2 1 334.464 1.398 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccccc2N2CCCC2=O)C[C@@H]1[NH3+] ZINC000641803063 452277663 /nfs/dbraw/zinc/27/76/63/452277663.db2.gz CRSSYFPPBQDKDS-LSDHHAIUSA-N 2 1 330.432 1.467 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000659434073 452281271 /nfs/dbraw/zinc/28/12/71/452281271.db2.gz GSMAIQHJOULXNK-HOTGVXAUSA-N 2 1 333.480 1.104 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C[C@@H]1[NH3+] ZINC000641805578 452282677 /nfs/dbraw/zinc/28/26/77/452282677.db2.gz NXIINTVHODJXFP-UONOGXRCSA-N 2 1 348.838 1.575 20 0 EDADMP C[C@@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccn1 ZINC000657533816 452317639 /nfs/dbraw/zinc/31/76/39/452317639.db2.gz CYYICPWDGVNISH-HNNXBMFYSA-N 2 1 326.448 1.517 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@]1(C)CCO[C@@H]1C1CC1 ZINC000665760732 452329619 /nfs/dbraw/zinc/32/96/19/452329619.db2.gz ODEMAXBKARMPAH-YXJHDRRASA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@]1(C)CCO[C@@H]1C1CC1 ZINC000665760732 452329630 /nfs/dbraw/zinc/32/96/30/452329630.db2.gz ODEMAXBKARMPAH-YXJHDRRASA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000659472399 452330398 /nfs/dbraw/zinc/33/03/98/452330398.db2.gz VWWURJGUIOKGHT-QZWWFDLISA-N 2 1 338.496 1.399 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000645354262 452332353 /nfs/dbraw/zinc/33/23/53/452332353.db2.gz QUVGYUOYMRMDKB-HUUCEWRRSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@]1(C)CC1(F)F ZINC000665763964 452349793 /nfs/dbraw/zinc/34/97/93/452349793.db2.gz QEJOGPVHNBAOIA-DZGCQCFKSA-N 2 1 334.455 1.993 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@]1(C)CC1(F)F ZINC000665763964 452349800 /nfs/dbraw/zinc/34/98/00/452349800.db2.gz QEJOGPVHNBAOIA-DZGCQCFKSA-N 2 1 334.455 1.993 20 0 EDADMP CC[C@H](OCC[N@H+](C)CC(=O)N1CCN(C)CC1)c1ccccc1 ZINC000640051732 452393033 /nfs/dbraw/zinc/39/30/33/452393033.db2.gz XURYRHHDZKFPSO-SFHVURJKSA-N 2 1 333.476 1.860 20 0 EDADMP CC[C@H](OCC[N@@H+](C)CC(=O)N1CCN(C)CC1)c1ccccc1 ZINC000640051732 452393039 /nfs/dbraw/zinc/39/30/39/452393039.db2.gz XURYRHHDZKFPSO-SFHVURJKSA-N 2 1 333.476 1.860 20 0 EDADMP CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654351586 452403946 /nfs/dbraw/zinc/40/39/46/452403946.db2.gz KGJSFTBCQBBIJC-KFWWJZLASA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654351586 452403954 /nfs/dbraw/zinc/40/39/54/452403954.db2.gz KGJSFTBCQBBIJC-KFWWJZLASA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659550919 452408482 /nfs/dbraw/zinc/40/84/82/452408482.db2.gz SIPDLJKQOYXEJY-SJLPKXTDSA-N 2 1 347.507 1.229 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659550919 452408489 /nfs/dbraw/zinc/40/84/89/452408489.db2.gz SIPDLJKQOYXEJY-SJLPKXTDSA-N 2 1 347.507 1.229 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652215600 452409229 /nfs/dbraw/zinc/40/92/29/452409229.db2.gz WXVITDRPPPXUHJ-ZWKOTPCHSA-N 2 1 330.476 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652215600 452409238 /nfs/dbraw/zinc/40/92/38/452409238.db2.gz WXVITDRPPPXUHJ-ZWKOTPCHSA-N 2 1 330.476 1.697 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654373975 452424931 /nfs/dbraw/zinc/42/49/31/452424931.db2.gz RILFUSGJCHIZSJ-QXSJWSMHSA-N 2 1 328.501 1.514 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654373975 452424934 /nfs/dbraw/zinc/42/49/34/452424934.db2.gz RILFUSGJCHIZSJ-QXSJWSMHSA-N 2 1 328.501 1.514 20 0 EDADMP CCC(C)(C)[NH+]1CCN(C(=O)NCCC[N@@H+](C)CCOC)CC1 ZINC000654380734 452431957 /nfs/dbraw/zinc/43/19/57/452431957.db2.gz GWFLRCPYTWHDOJ-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP C[N@H+](CCc1ccccc1)[C@H]1CCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000661645537 452459023 /nfs/dbraw/zinc/45/90/23/452459023.db2.gz SYKQGYHZPWRTKY-IBGZPJMESA-N 2 1 344.503 1.009 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000661645537 452459032 /nfs/dbraw/zinc/45/90/32/452459032.db2.gz SYKQGYHZPWRTKY-IBGZPJMESA-N 2 1 344.503 1.009 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000659608990 452466437 /nfs/dbraw/zinc/46/64/37/452466437.db2.gz HJYVLAUUVDWDLU-YYIAUSFCSA-N 2 1 348.491 1.023 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000659611719 452469404 /nfs/dbraw/zinc/46/94/04/452469404.db2.gz UAOQMNIFJDSEKF-ULQDDVLXSA-N 2 1 338.496 1.399 20 0 EDADMP CC[NH+]1CCN(c2ncnc(N3CC[N@H+](CC)[C@H](C)C3)c2C)C[C@H]1C ZINC000663745240 452476259 /nfs/dbraw/zinc/47/62/59/452476259.db2.gz UMUYCJWCPFRFTR-HZPDHXFCSA-N 2 1 346.523 1.846 20 0 EDADMP C[C@H](CNC(=O)NCC1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654429762 452486209 /nfs/dbraw/zinc/48/62/09/452486209.db2.gz XOBDIULEVPSSIB-KFWWJZLASA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)NCC1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654429762 452486212 /nfs/dbraw/zinc/48/62/12/452486212.db2.gz XOBDIULEVPSSIB-KFWWJZLASA-N 2 1 326.485 1.125 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652351460 452527801 /nfs/dbraw/zinc/52/78/01/452527801.db2.gz YEQAXNMPBPLSKA-KSSFIOAISA-N 2 1 330.432 1.175 20 0 EDADMP C[C@H]([C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCOCC1 ZINC000655711952 452529976 /nfs/dbraw/zinc/52/99/76/452529976.db2.gz KOJCQMJIZTYFQM-JZXOWHBKSA-N 2 1 325.497 1.329 20 0 EDADMP c1cn2c(n1)[C@H](NCCC[NH+]1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000655713782 452530865 /nfs/dbraw/zinc/53/08/65/452530865.db2.gz VTMSENWCMFXBSR-GOSISDBHSA-N 2 1 340.475 1.915 20 0 EDADMP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652361180 452542167 /nfs/dbraw/zinc/54/21/67/452542167.db2.gz ZBGQNVNMEXGWRR-ILOCAZANSA-N 2 1 337.508 1.852 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCC(=O)Nc2cccnc2)C1 ZINC000652363778 452543969 /nfs/dbraw/zinc/54/39/69/452543969.db2.gz NECVDVHBZBASAJ-PVAVHDDUSA-N 2 1 332.448 1.771 20 0 EDADMP Cn1c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)nnc1C1CCC1 ZINC000652363913 452544021 /nfs/dbraw/zinc/54/40/21/452544021.db2.gz RVVOEXRTLIDIIA-ARFHVFGLSA-N 2 1 333.480 1.943 20 0 EDADMP Cn1c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)nnc1C1CCC1 ZINC000652363913 452544031 /nfs/dbraw/zinc/54/40/31/452544031.db2.gz RVVOEXRTLIDIIA-ARFHVFGLSA-N 2 1 333.480 1.943 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000652362702 452544437 /nfs/dbraw/zinc/54/44/37/452544437.db2.gz NBGVSNGKMCACKG-RQJABVFESA-N 2 1 349.397 1.510 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000652362702 452544445 /nfs/dbraw/zinc/54/44/45/452544445.db2.gz NBGVSNGKMCACKG-RQJABVFESA-N 2 1 349.397 1.510 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000655741886 452551478 /nfs/dbraw/zinc/55/14/78/452551478.db2.gz RSHDDSGMMZAYPS-WMZOPIPTSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000655741886 452551485 /nfs/dbraw/zinc/55/14/85/452551485.db2.gz RSHDDSGMMZAYPS-WMZOPIPTSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000655741886 452551494 /nfs/dbraw/zinc/55/14/94/452551494.db2.gz RSHDDSGMMZAYPS-WMZOPIPTSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000655741886 452551503 /nfs/dbraw/zinc/55/15/03/452551503.db2.gz RSHDDSGMMZAYPS-WMZOPIPTSA-N 2 1 346.475 1.319 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000647834092 452567272 /nfs/dbraw/zinc/56/72/72/452567272.db2.gz WZSIIDXCQJKJQY-NZSAHSFTSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000647834092 452567282 /nfs/dbraw/zinc/56/72/82/452567282.db2.gz WZSIIDXCQJKJQY-NZSAHSFTSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654539878 452621163 /nfs/dbraw/zinc/62/11/63/452621163.db2.gz ZFEHTKQFFKGGGZ-KFWWJZLASA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654539878 452621171 /nfs/dbraw/zinc/62/11/71/452621171.db2.gz ZFEHTKQFFKGGGZ-KFWWJZLASA-N 2 1 326.485 1.268 20 0 EDADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCOc2cccc(C)c2)CC[C@H]1[NH3+] ZINC000647938444 452678101 /nfs/dbraw/zinc/67/81/01/452678101.db2.gz NITBWPIOLOIISN-JFIYKMOQSA-N 2 1 333.476 1.938 20 0 EDADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NCCOc2cccc(C)c2)CC[C@H]1[NH3+] ZINC000647938444 452678110 /nfs/dbraw/zinc/67/81/10/452678110.db2.gz NITBWPIOLOIISN-JFIYKMOQSA-N 2 1 333.476 1.938 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000652484064 452679827 /nfs/dbraw/zinc/67/98/27/452679827.db2.gz AYMYNYHKLFDENK-UHFFFAOYSA-N 2 1 340.512 1.023 20 0 EDADMP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000647962843 452706811 /nfs/dbraw/zinc/70/68/11/452706811.db2.gz WEZBLFBITVQTTQ-WMZOPIPTSA-N 2 1 335.492 1.686 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000647962843 452706817 /nfs/dbraw/zinc/70/68/17/452706817.db2.gz WEZBLFBITVQTTQ-WMZOPIPTSA-N 2 1 335.492 1.686 20 0 EDADMP C(N1CC[NH+]2CCC[C@@H]2C1)C1(CN2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000647963133 452708718 /nfs/dbraw/zinc/70/87/18/452708718.db2.gz JIXYAQWFKOFRLH-KDURUIRLSA-N 2 1 332.536 1.717 20 0 EDADMP C(N1CC[N@@H+]2CCC[C@@H]2C1)C1(CN2CC[NH+]3CCC[C@H]3C2)CCC1 ZINC000647963133 452708727 /nfs/dbraw/zinc/70/87/27/452708727.db2.gz JIXYAQWFKOFRLH-KDURUIRLSA-N 2 1 332.536 1.717 20 0 EDADMP C(N1CC[N@H+]2CCC[C@@H]2C1)C1(CN2CC[NH+]3CCC[C@H]3C2)CCC1 ZINC000647963133 452708735 /nfs/dbraw/zinc/70/87/35/452708735.db2.gz JIXYAQWFKOFRLH-KDURUIRLSA-N 2 1 332.536 1.717 20 0 EDADMP C(N1CC[N@@H+]2CCC[C@@H]2C1)C1(C[NH+]2CCN3CCC[C@H]3C2)CCC1 ZINC000647963133 452708745 /nfs/dbraw/zinc/70/87/45/452708745.db2.gz JIXYAQWFKOFRLH-KDURUIRLSA-N 2 1 332.536 1.717 20 0 EDADMP C(N1CC[N@H+]2CCC[C@@H]2C1)C1(C[NH+]2CCN3CCC[C@H]3C2)CCC1 ZINC000647963133 452708750 /nfs/dbraw/zinc/70/87/50/452708750.db2.gz JIXYAQWFKOFRLH-KDURUIRLSA-N 2 1 332.536 1.717 20 0 EDADMP C(N1CC[NH+]2CCC[C@@H]2C1)C1(C[N@@H+]2CCN3CCC[C@H]3C2)CCC1 ZINC000647963133 452708760 /nfs/dbraw/zinc/70/87/60/452708760.db2.gz JIXYAQWFKOFRLH-KDURUIRLSA-N 2 1 332.536 1.717 20 0 EDADMP C(N1CC[NH+]2CCC[C@@H]2C1)C1(C[N@H+]2CCN3CCC[C@H]3C2)CCC1 ZINC000647963133 452708769 /nfs/dbraw/zinc/70/87/69/452708769.db2.gz JIXYAQWFKOFRLH-KDURUIRLSA-N 2 1 332.536 1.717 20 0 EDADMP C(N1CC[N@@H+]2CCC[C@H]2C1)C1(C[NH+]2CCN3CCC[C@@H]3C2)CCC1 ZINC000647963133 452708775 /nfs/dbraw/zinc/70/87/75/452708775.db2.gz JIXYAQWFKOFRLH-KDURUIRLSA-N 2 1 332.536 1.717 20 0 EDADMP C(N1CC[N@H+]2CCC[C@H]2C1)C1(C[NH+]2CCN3CCC[C@@H]3C2)CCC1 ZINC000647963133 452708785 /nfs/dbraw/zinc/70/87/85/452708785.db2.gz JIXYAQWFKOFRLH-KDURUIRLSA-N 2 1 332.536 1.717 20 0 EDADMP C(N1CC[NH+]2CCC[C@H]2C1)C1(C[N@@H+]2CCN3CCC[C@@H]3C2)CCC1 ZINC000647963133 452708792 /nfs/dbraw/zinc/70/87/92/452708792.db2.gz JIXYAQWFKOFRLH-KDURUIRLSA-N 2 1 332.536 1.717 20 0 EDADMP C(N1CC[NH+]2CCC[C@H]2C1)C1(C[N@H+]2CCN3CCC[C@@H]3C2)CCC1 ZINC000647963133 452708800 /nfs/dbraw/zinc/70/88/00/452708800.db2.gz JIXYAQWFKOFRLH-KDURUIRLSA-N 2 1 332.536 1.717 20 0 EDADMP C[C@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655965321 452745289 /nfs/dbraw/zinc/74/52/89/452745289.db2.gz BJPWMHYZIYVKSB-KFWWJZLASA-N 2 1 346.475 1.587 20 0 EDADMP C[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964151 452746351 /nfs/dbraw/zinc/74/63/51/452746351.db2.gz PHTCQECIVABCIY-LJIGWXMPSA-N 2 1 340.512 1.691 20 0 EDADMP C[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964151 452746358 /nfs/dbraw/zinc/74/63/58/452746358.db2.gz PHTCQECIVABCIY-LJIGWXMPSA-N 2 1 340.512 1.691 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658143624 452750246 /nfs/dbraw/zinc/75/02/46/452750246.db2.gz BOBPTOLHRGHKNC-RLLQIKCJSA-N 2 1 348.487 1.655 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@]2(OCCO)CCOC2)cc1 ZINC000658148021 452754945 /nfs/dbraw/zinc/75/49/45/452754945.db2.gz IZEYNENCIACGNZ-DNVCBOLYSA-N 2 1 345.443 1.999 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000654659715 452772750 /nfs/dbraw/zinc/77/27/50/452772750.db2.gz MCCPIYFRXJCEKI-YESZJQIVSA-N 2 1 338.496 1.223 20 0 EDADMP CN(C)C(=O)c1ccccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071902 452800165 /nfs/dbraw/zinc/80/01/65/452800165.db2.gz ABQAUWPKQLAECZ-UHFFFAOYSA-N 2 1 331.460 1.685 20 0 EDADMP CN(C)C(=O)c1ccccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071902 452800167 /nfs/dbraw/zinc/80/01/67/452800167.db2.gz ABQAUWPKQLAECZ-UHFFFAOYSA-N 2 1 331.460 1.685 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc3c(c1)NC(=O)CO3)CCO2 ZINC000648071910 452800763 /nfs/dbraw/zinc/80/07/63/452800763.db2.gz ALNKQMILSKINHP-UHFFFAOYSA-N 2 1 331.416 1.314 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc3c(c1)NC(=O)CO3)CCO2 ZINC000648071910 452800765 /nfs/dbraw/zinc/80/07/65/452800765.db2.gz ALNKQMILSKINHP-UHFFFAOYSA-N 2 1 331.416 1.314 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)CC[N@H+]1C ZINC000658288929 452831734 /nfs/dbraw/zinc/83/17/34/452831734.db2.gz HRFDUUUJEXWEQY-HOJAQTOUSA-N 2 1 347.503 1.322 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000658344602 452856435 /nfs/dbraw/zinc/85/64/35/452856435.db2.gz VZVANZMJUMWOBA-QMMLZNLJSA-N 2 1 342.531 1.875 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000658344602 452856448 /nfs/dbraw/zinc/85/64/48/452856448.db2.gz VZVANZMJUMWOBA-QMMLZNLJSA-N 2 1 342.531 1.875 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658344602 452856461 /nfs/dbraw/zinc/85/64/61/452856461.db2.gz VZVANZMJUMWOBA-QMMLZNLJSA-N 2 1 342.531 1.875 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658344602 452856474 /nfs/dbraw/zinc/85/64/74/452856474.db2.gz VZVANZMJUMWOBA-QMMLZNLJSA-N 2 1 342.531 1.875 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)c1ccc(C[NH3+])o1 ZINC000648176053 452888136 /nfs/dbraw/zinc/88/81/36/452888136.db2.gz UQCLIZUBABNMIG-SUMWQHHRSA-N 2 1 345.447 1.627 20 0 EDADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000645977678 452964958 /nfs/dbraw/zinc/96/49/58/452964958.db2.gz IJPICGHRYPSJCJ-PBHICJAKSA-N 2 1 330.476 1.605 20 0 EDADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000645977678 452964965 /nfs/dbraw/zinc/96/49/65/452964965.db2.gz IJPICGHRYPSJCJ-PBHICJAKSA-N 2 1 330.476 1.605 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1)c1ccccc1 ZINC000662256925 452984615 /nfs/dbraw/zinc/98/46/15/452984615.db2.gz KCNVIXYWJZTUDI-FUHWJXTLSA-N 2 1 343.471 1.649 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1)c1ccccc1 ZINC000662256926 452986404 /nfs/dbraw/zinc/98/64/04/452986404.db2.gz KCNVIXYWJZTUDI-SJLPKXTDSA-N 2 1 343.471 1.649 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nc(C)n1 ZINC000662263420 452994941 /nfs/dbraw/zinc/99/49/41/452994941.db2.gz ASVRIZRYSBQHBN-WBVHZDCISA-N 2 1 331.464 1.174 20 0 EDADMP NS(=O)(=O)c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)co1 ZINC000662273452 453001446 /nfs/dbraw/zinc/00/14/46/453001446.db2.gz MRBSVBCIYIXGPF-KBPBESRZSA-N 2 1 327.450 1.139 20 0 EDADMP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000662293556 453016129 /nfs/dbraw/zinc/01/61/29/453016129.db2.gz LWFGXAIOBRBQOQ-SJORKVTESA-N 2 1 345.491 1.545 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN(C)CC(C)(C)[NH3+])CC1 ZINC000662293554 453017066 /nfs/dbraw/zinc/01/70/66/453017066.db2.gz UFSWQIMVTKMFIF-UHFFFAOYSA-N 2 1 332.492 1.308 20 0 EDADMP O=C1[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CCN1CC(F)(F)F ZINC000662294953 453018387 /nfs/dbraw/zinc/01/83/87/453018387.db2.gz XKBLBAWHSJQLMU-ZIAGYGMSSA-N 2 1 333.398 1.861 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CC1 ZINC000662312747 453030850 /nfs/dbraw/zinc/03/08/50/453030850.db2.gz DAQDWYXPEYJYQB-KDURUIRLSA-N 2 1 335.492 1.480 20 0 EDADMP C[C@@H]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000662311926 453031007 /nfs/dbraw/zinc/03/10/07/453031007.db2.gz BUCVHIWIUAXWFO-MJGOQNOKSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@H]1CN(CCO)CCN1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666660455 453045389 /nfs/dbraw/zinc/04/53/89/453045389.db2.gz NXUMYVIZFVPXRN-HOTGVXAUSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000666660455 453045399 /nfs/dbraw/zinc/04/53/99/453045399.db2.gz NXUMYVIZFVPXRN-HOTGVXAUSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000666660455 453045407 /nfs/dbraw/zinc/04/54/07/453045407.db2.gz NXUMYVIZFVPXRN-HOTGVXAUSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666660455 453045415 /nfs/dbraw/zinc/04/54/15/453045415.db2.gz NXUMYVIZFVPXRN-HOTGVXAUSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666660455 453045425 /nfs/dbraw/zinc/04/54/25/453045425.db2.gz NXUMYVIZFVPXRN-HOTGVXAUSA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCOC[C@@H]3C)CC2)CC1 ZINC000654933566 453046808 /nfs/dbraw/zinc/04/68/08/453046808.db2.gz YMBDJBIEGSYAOF-INIZCTEOSA-N 2 1 337.508 1.820 20 0 EDADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652887050 453048770 /nfs/dbraw/zinc/04/87/70/453048770.db2.gz HVFZTBXUPSKIDH-LJQANCHMSA-N 2 1 343.471 1.564 20 0 EDADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652887050 453048776 /nfs/dbraw/zinc/04/87/76/453048776.db2.gz HVFZTBXUPSKIDH-LJQANCHMSA-N 2 1 343.471 1.564 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](O)[C@H]1CCc1ccccc1)C1CC1 ZINC000646074397 453088248 /nfs/dbraw/zinc/08/82/48/453088248.db2.gz WDKZXCUKQJJRHW-XUVXKRRUSA-N 2 1 332.488 1.900 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](O)[C@H]1CCc1ccccc1)C1CC1 ZINC000646074397 453088257 /nfs/dbraw/zinc/08/82/57/453088257.db2.gz WDKZXCUKQJJRHW-XUVXKRRUSA-N 2 1 332.488 1.900 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1)C1CC1 ZINC000646074397 453088265 /nfs/dbraw/zinc/08/82/65/453088265.db2.gz WDKZXCUKQJJRHW-XUVXKRRUSA-N 2 1 332.488 1.900 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1)C1CC1 ZINC000646074397 453088273 /nfs/dbraw/zinc/08/82/73/453088273.db2.gz WDKZXCUKQJJRHW-XUVXKRRUSA-N 2 1 332.488 1.900 20 0 EDADMP COC[C@]1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC[NH2+]C1 ZINC000646106151 453110233 /nfs/dbraw/zinc/11/02/33/453110233.db2.gz PZFPHXWRUJEXKI-MJGOQNOKSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC[C@H]1[NH3+] ZINC000662421750 453131661 /nfs/dbraw/zinc/13/16/61/453131661.db2.gz YLRCIYOQQHCZJG-OASPWFOLSA-N 2 1 326.238 1.645 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc2c(c1)COC2 ZINC000664485926 453135126 /nfs/dbraw/zinc/13/51/26/453135126.db2.gz CVMSIIMNNHSCQP-HNNXBMFYSA-N 2 1 348.491 1.788 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc2c(c1)COC2 ZINC000664485926 453135133 /nfs/dbraw/zinc/13/51/33/453135133.db2.gz CVMSIIMNNHSCQP-HNNXBMFYSA-N 2 1 348.491 1.788 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cc1 ZINC000648614133 453163520 /nfs/dbraw/zinc/16/35/20/453163520.db2.gz ZPRRWNQSYWVZBZ-MOPGFXCFSA-N 2 1 333.476 1.532 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000664537127 453176075 /nfs/dbraw/zinc/17/60/75/453176075.db2.gz ZFDRCHDTXFYYQH-SFHVURJKSA-N 2 1 347.507 1.356 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000664537127 453176087 /nfs/dbraw/zinc/17/60/87/453176087.db2.gz ZFDRCHDTXFYYQH-SFHVURJKSA-N 2 1 347.507 1.356 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000664537746 453178879 /nfs/dbraw/zinc/17/88/79/453178879.db2.gz RFTUFKPSTDXKQV-HNNXBMFYSA-N 2 1 339.528 1.184 20 0 EDADMP O=C(c1cnnn1C1CC[NH2+]CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000662467514 453179164 /nfs/dbraw/zinc/17/91/64/453179164.db2.gz CSHHLWRYJFEREA-UHFFFAOYSA-N 2 1 346.479 1.293 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000662484328 453198876 /nfs/dbraw/zinc/19/88/76/453198876.db2.gz HQAFMMLHHJOFPZ-QGZVFWFLSA-N 2 1 334.464 1.249 20 0 EDADMP [NH3+][C@H](c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)[C@H]1CCCO1 ZINC000656468779 453205624 /nfs/dbraw/zinc/20/56/24/453205624.db2.gz SHNVEGOQWDVPGA-QXAKKESOSA-N 2 1 341.459 1.979 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000653036898 453220256 /nfs/dbraw/zinc/22/02/56/453220256.db2.gz NCNKFAUFYBDXBO-QGZVFWFLSA-N 2 1 327.513 1.874 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)[C@@H]1c1ccc(Cl)cc1 ZINC000662512502 453231490 /nfs/dbraw/zinc/23/14/90/453231490.db2.gz QJBHCOQRISGWRT-ZFWWWQNUSA-N 2 1 348.838 1.065 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)[C@@H]1c1ccc(Cl)cc1 ZINC000662512502 453231494 /nfs/dbraw/zinc/23/14/94/453231494.db2.gz QJBHCOQRISGWRT-ZFWWWQNUSA-N 2 1 348.838 1.065 20 0 EDADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC(=O)C1 ZINC000648757759 453239316 /nfs/dbraw/zinc/23/93/16/453239316.db2.gz JBCQIRCPAQKQCV-OAHLLOKOSA-N 2 1 330.432 1.079 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000660355019 453240598 /nfs/dbraw/zinc/24/05/98/453240598.db2.gz ZUVMKSLVZIFZTH-GOSISDBHSA-N 2 1 345.491 1.830 20 0 EDADMP CN(CC[NH+]1CCCCC1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000651079220 453250245 /nfs/dbraw/zinc/25/02/45/453250245.db2.gz MLVYNRDPYUSRRA-UHFFFAOYSA-N 2 1 339.528 1.140 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666973434 453290395 /nfs/dbraw/zinc/29/03/95/453290395.db2.gz VEUBNIWTVUSGMS-SJORKVTESA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC1Cc2ccccc2C1 ZINC000664668313 453302742 /nfs/dbraw/zinc/30/27/42/453302742.db2.gz YZIMSVNDDGOMCS-HNNXBMFYSA-N 2 1 332.492 1.725 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC1Cc2ccccc2C1 ZINC000664668313 453302745 /nfs/dbraw/zinc/30/27/45/453302745.db2.gz YZIMSVNDDGOMCS-HNNXBMFYSA-N 2 1 332.492 1.725 20 0 EDADMP [NH3+][C@@H](C(=O)N1CCC2(CC[NH2+]2)CC1)c1ccccc1Br ZINC000662578969 453307214 /nfs/dbraw/zinc/30/72/14/453307214.db2.gz IIQTZAHJTCOYHF-CYBMUJFWSA-N 2 1 338.249 1.803 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)(N2CCCCC2)CC1 ZINC000653124866 453318764 /nfs/dbraw/zinc/31/87/64/453318764.db2.gz JNPBVEPKHUELMU-QZTJIDSGSA-N 2 1 348.535 1.584 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653168885 453359814 /nfs/dbraw/zinc/35/98/14/453359814.db2.gz SNQIYMNKMYSUAV-QRFRQXIXSA-N 2 1 349.519 1.726 20 0 EDADMP O=C1C[C@@H](C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CN1 ZINC000660536296 453383219 /nfs/dbraw/zinc/38/32/19/453383219.db2.gz GAJXUFKWIZTFRS-RTBURBONSA-N 2 1 342.487 1.015 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000658778107 453383480 /nfs/dbraw/zinc/38/34/80/453383480.db2.gz KIBQFHBXUABXKS-INIZCTEOSA-N 2 1 330.432 1.171 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000658778107 453383488 /nfs/dbraw/zinc/38/34/88/453383488.db2.gz KIBQFHBXUABXKS-INIZCTEOSA-N 2 1 330.432 1.171 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000658778107 453383497 /nfs/dbraw/zinc/38/34/97/453383497.db2.gz KIBQFHBXUABXKS-INIZCTEOSA-N 2 1 330.432 1.171 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000658778107 453383504 /nfs/dbraw/zinc/38/35/04/453383504.db2.gz KIBQFHBXUABXKS-INIZCTEOSA-N 2 1 330.432 1.171 20 0 EDADMP CCCCC[N@@H+](CCNC(=O)[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000653200447 453394196 /nfs/dbraw/zinc/39/41/96/453394196.db2.gz FFHYXMOIRNNGLZ-SFHVURJKSA-N 2 1 333.476 1.783 20 0 EDADMP CCCCC[N@@H+](CCNC(=O)[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000653200446 453394289 /nfs/dbraw/zinc/39/42/89/453394289.db2.gz FFHYXMOIRNNGLZ-GOSISDBHSA-N 2 1 333.476 1.783 20 0 EDADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000653202939 453398518 /nfs/dbraw/zinc/39/85/18/453398518.db2.gz VTPIGKOFVQOYPB-MZIYAPOESA-N 2 1 327.472 1.962 20 0 EDADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299258 453420646 /nfs/dbraw/zinc/42/06/46/453420646.db2.gz XSJKWRJYVDQPEL-RBUKOAKNSA-N 2 1 343.471 1.176 20 0 EDADMP CCCN(C(=O)c1cccc(N2CC[NH+](C)CC2)n1)[C@H]1CC[N@@H+](C)C1 ZINC000648997138 453462867 /nfs/dbraw/zinc/46/28/67/453462867.db2.gz JSNWSXMXMGNQLY-INIZCTEOSA-N 2 1 345.491 1.390 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000662741282 453466076 /nfs/dbraw/zinc/46/60/76/453466076.db2.gz DZQQKMUDPYUAOV-KRWDZBQOSA-N 2 1 330.476 1.190 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000662741282 453466084 /nfs/dbraw/zinc/46/60/84/453466084.db2.gz DZQQKMUDPYUAOV-KRWDZBQOSA-N 2 1 330.476 1.190 20 0 EDADMP [NH3+]Cc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000646579082 453485978 /nfs/dbraw/zinc/48/59/78/453485978.db2.gz QBYBQWBXFABLAE-GOSISDBHSA-N 2 1 325.412 1.985 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)CC2([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000662756525 453493532 /nfs/dbraw/zinc/49/35/32/453493532.db2.gz IOQQYIAUYRXNCC-KRWDZBQOSA-N 2 1 330.476 1.363 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)CC2([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000662756525 453493542 /nfs/dbraw/zinc/49/35/42/453493542.db2.gz IOQQYIAUYRXNCC-KRWDZBQOSA-N 2 1 330.476 1.363 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)CC2([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000662756525 453493549 /nfs/dbraw/zinc/49/35/49/453493549.db2.gz IOQQYIAUYRXNCC-KRWDZBQOSA-N 2 1 330.476 1.363 20 0 EDADMP O[C@H](COC[C@H]1CCCO1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674242 453504838 /nfs/dbraw/zinc/50/48/38/453504838.db2.gz NXIPBKWXTFLGMN-VQTJNVASSA-N 2 1 348.487 1.797 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000646664117 453548742 /nfs/dbraw/zinc/54/87/42/453548742.db2.gz YHYDMOXZUQLCDO-CGTJXYLNSA-N 2 1 330.476 1.798 20 0 EDADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662836721 453561967 /nfs/dbraw/zinc/56/19/67/453561967.db2.gz COUMHUAYQXPWTR-WPECMILSSA-N 2 1 335.492 1.652 20 0 EDADMP [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000658987472 453567491 /nfs/dbraw/zinc/56/74/91/453567491.db2.gz UDXGMGIGFXBEIX-UHFFFAOYSA-N 2 1 344.459 1.516 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662846555 453568535 /nfs/dbraw/zinc/56/85/35/453568535.db2.gz RKMQDCRCDSCCKT-MAUKXSAKSA-N 2 1 331.460 1.933 20 0 EDADMP CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662858715 453574083 /nfs/dbraw/zinc/57/40/83/453574083.db2.gz HQGGEOJWQNLDLB-QZTJIDSGSA-N 2 1 345.487 1.648 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000662860526 453575372 /nfs/dbraw/zinc/57/53/72/453575372.db2.gz SIWWITVXAAZZIE-BJLQDIEVSA-N 2 1 343.471 1.259 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1([NH2+]C2CC2)CCC1 ZINC000662859882 453575518 /nfs/dbraw/zinc/57/55/18/453575518.db2.gz PPXUMXVXOBYLTJ-GOSISDBHSA-N 2 1 343.471 1.544 20 0 EDADMP CN(C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899458 453593545 /nfs/dbraw/zinc/59/35/45/453593545.db2.gz DCXXFSOKJOQXDR-RCCFBDPRSA-N 2 1 334.508 1.144 20 0 EDADMP CN(C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899458 453593547 /nfs/dbraw/zinc/59/35/47/453593547.db2.gz DCXXFSOKJOQXDR-RCCFBDPRSA-N 2 1 334.508 1.144 20 0 EDADMP C[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665292961 453639456 /nfs/dbraw/zinc/63/94/56/453639456.db2.gz NMTGGQTUYTYAGY-GOEBONIOSA-N 2 1 341.459 1.641 20 0 EDADMP C[C@@H]1C[C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000665292160 453639616 /nfs/dbraw/zinc/63/96/16/453639616.db2.gz USXFKHSOTAYIDH-CJNGLKHVSA-N 2 1 327.432 1.394 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1CC(C)(C)O ZINC000665358321 453665803 /nfs/dbraw/zinc/66/58/03/453665803.db2.gz CWSPFAFKDLADRM-LSDHHAIUSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1CC(C)(C)O ZINC000665358321 453665806 /nfs/dbraw/zinc/66/58/06/453665806.db2.gz CWSPFAFKDLADRM-LSDHHAIUSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1CC(C)(C)O ZINC000665358321 453665807 /nfs/dbraw/zinc/66/58/07/453665807.db2.gz CWSPFAFKDLADRM-LSDHHAIUSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360834 453799780 /nfs/dbraw/zinc/79/97/80/453799780.db2.gz HQFLHVWLRPQTAF-CAOSSQGBSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360834 453799784 /nfs/dbraw/zinc/79/97/84/453799784.db2.gz HQFLHVWLRPQTAF-CAOSSQGBSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360834 453799788 /nfs/dbraw/zinc/79/97/88/453799788.db2.gz HQFLHVWLRPQTAF-CAOSSQGBSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360834 453799790 /nfs/dbraw/zinc/79/97/90/453799790.db2.gz HQFLHVWLRPQTAF-CAOSSQGBSA-N 2 1 340.512 1.656 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000661395743 453808411 /nfs/dbraw/zinc/80/84/11/453808411.db2.gz IROYTPRZBPYXRM-CVEARBPZSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000661395743 453808414 /nfs/dbraw/zinc/80/84/14/453808414.db2.gz IROYTPRZBPYXRM-CVEARBPZSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000661395743 453808415 /nfs/dbraw/zinc/80/84/15/453808415.db2.gz IROYTPRZBPYXRM-CVEARBPZSA-N 2 1 340.512 1.515 20 0 EDADMP Cc1ccncc1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512906 453813451 /nfs/dbraw/zinc/81/34/51/453813451.db2.gz PURJHLSRESYDAJ-MRXNPFEDSA-N 2 1 340.475 1.902 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H](C)CO)CC1 ZINC000661432388 453817443 /nfs/dbraw/zinc/81/74/43/453817443.db2.gz BIIBQGOTBVRILR-RDJZCZTQSA-N 2 1 325.497 1.458 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)CC(C)C ZINC000676245475 486705135 /nfs/dbraw/zinc/70/51/35/486705135.db2.gz MODFKYYJGUAPBA-IXDOHACOSA-N 2 1 342.528 1.761 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)CC(C)C ZINC000676245475 486705137 /nfs/dbraw/zinc/70/51/37/486705137.db2.gz MODFKYYJGUAPBA-IXDOHACOSA-N 2 1 342.528 1.761 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@H]1CN(C)CCO1 ZINC000676245706 486705687 /nfs/dbraw/zinc/70/56/87/486705687.db2.gz PHAGYBKQLDNHHN-QKPAOTATSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676245706 486705689 /nfs/dbraw/zinc/70/56/89/486705689.db2.gz PHAGYBKQLDNHHN-QKPAOTATSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676245706 486705693 /nfs/dbraw/zinc/70/56/93/486705693.db2.gz PHAGYBKQLDNHHN-QKPAOTATSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676245706 486705695 /nfs/dbraw/zinc/70/56/95/486705695.db2.gz PHAGYBKQLDNHHN-QKPAOTATSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676245706 486705699 /nfs/dbraw/zinc/70/56/99/486705699.db2.gz PHAGYBKQLDNHHN-QKPAOTATSA-N 2 1 326.485 1.125 20 0 EDADMP CNC(=O)[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)Cc1ccc(OC)c(F)c1 ZINC000573847718 486742395 /nfs/dbraw/zinc/74/23/95/486742395.db2.gz PKNXZXKJGNFVEX-XPKDYRNWSA-N 2 1 337.439 1.469 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cnc3n2CCC3)CC1 ZINC000667564699 486848747 /nfs/dbraw/zinc/84/87/47/486848747.db2.gz WKPNQIZKFXZKLC-CALCHBBNSA-N 2 1 331.508 1.820 20 0 EDADMP CCn1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)n1 ZINC000667700086 486920559 /nfs/dbraw/zinc/92/05/59/486920559.db2.gz RDJPHGTUXAXXGY-OAHLLOKOSA-N 2 1 336.484 1.783 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000667749338 486947694 /nfs/dbraw/zinc/94/76/94/486947694.db2.gz VTJHFKVEYREGDF-UHFFFAOYSA-N 2 1 333.480 1.337 20 0 EDADMP CN(CCCNC(=O)Nc1cccc2c1CC[NH2+]C2)CC[NH+](C)C ZINC000667749338 486947699 /nfs/dbraw/zinc/94/76/99/486947699.db2.gz VTJHFKVEYREGDF-UHFFFAOYSA-N 2 1 333.480 1.337 20 0 EDADMP Cc1c(C[NH+](C)C/C=C/C[N@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000684106530 486947371 /nfs/dbraw/zinc/94/73/71/486947371.db2.gz SAMQZQHVGXYWFQ-BQYQJAHWSA-N 2 1 330.480 1.890 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000673670669 487085583 /nfs/dbraw/zinc/08/55/83/487085583.db2.gz KAHJZWUOHIUJCP-PKOBYXMFSA-N 2 1 331.460 1.034 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000673706947 487097127 /nfs/dbraw/zinc/09/71/27/487097127.db2.gz SLCMJBKJBSHONZ-INIZCTEOSA-N 2 1 340.512 1.469 20 0 EDADMP C[N@@H+]1CCN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1Cc1ccccc1 ZINC000671927555 487156461 /nfs/dbraw/zinc/15/64/61/487156461.db2.gz DOJIBSKNHNZAFR-ZWKOTPCHSA-N 2 1 338.455 1.831 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000681788906 487168349 /nfs/dbraw/zinc/16/83/49/487168349.db2.gz HOPXVMPBDZTZBY-IPMKNSEASA-N 2 1 345.487 1.876 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000681788906 487168351 /nfs/dbraw/zinc/16/83/51/487168351.db2.gz HOPXVMPBDZTZBY-IPMKNSEASA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000673992376 487178816 /nfs/dbraw/zinc/17/88/16/487178816.db2.gz FLOSYCSODNZIFC-CVEARBPZSA-N 2 1 340.512 1.068 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC000673992376 487178822 /nfs/dbraw/zinc/17/88/22/487178822.db2.gz FLOSYCSODNZIFC-CVEARBPZSA-N 2 1 340.512 1.068 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000673992376 487178827 /nfs/dbraw/zinc/17/88/27/487178827.db2.gz FLOSYCSODNZIFC-CVEARBPZSA-N 2 1 340.512 1.068 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)CN2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000674323147 487236112 /nfs/dbraw/zinc/23/61/12/487236112.db2.gz JJKWOZISYFFUCU-MJGOQNOKSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000674323147 487236118 /nfs/dbraw/zinc/23/61/18/487236118.db2.gz JJKWOZISYFFUCU-MJGOQNOKSA-N 2 1 344.503 1.403 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccccc3-n3cncn3)CC2)C1 ZINC000678258912 487277586 /nfs/dbraw/zinc/27/75/86/487277586.db2.gz RRTGJBBNPRANQV-GOSISDBHSA-N 2 1 340.475 1.479 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccccc3-n3cncn3)CC2)C1 ZINC000678258912 487277589 /nfs/dbraw/zinc/27/75/89/487277589.db2.gz RRTGJBBNPRANQV-GOSISDBHSA-N 2 1 340.475 1.479 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000682100501 487302700 /nfs/dbraw/zinc/30/27/00/487302700.db2.gz DRFJSTRTWRFTMY-UHFFFAOYSA-N 2 1 330.392 1.111 20 0 EDADMP Nc1nc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nc2sc3c(c21)CCCC3 ZINC000678514567 487325133 /nfs/dbraw/zinc/32/51/33/487325133.db2.gz OTQZQBOIQUOKKN-RYUDHWBXSA-N 2 1 343.500 1.846 20 0 EDADMP CCN1CC[N@@H+](CC2(CN3CC[NH+](CC)[C@@H](C)C3)COC2)C[C@@H]1C ZINC000679854752 487468991 /nfs/dbraw/zinc/46/89/91/487468991.db2.gz GQJGTSJGYCWMHI-ROUUACIJSA-N 2 1 338.540 1.055 20 0 EDADMP CCN1CC[NH+](CC2(CN3CC[N@H+](CC)[C@@H](C)C3)COC2)C[C@@H]1C ZINC000679854752 487468992 /nfs/dbraw/zinc/46/89/92/487468992.db2.gz GQJGTSJGYCWMHI-ROUUACIJSA-N 2 1 338.540 1.055 20 0 EDADMP CCN1CC[NH+](CC2(CN3CC[N@@H+](CC)[C@@H](C)C3)COC2)C[C@@H]1C ZINC000679854752 487468994 /nfs/dbraw/zinc/46/89/94/487468994.db2.gz GQJGTSJGYCWMHI-ROUUACIJSA-N 2 1 338.540 1.055 20 0 EDADMP CC[NH+]1CCN(CC2(CN3CC[N@@H+](CC)[C@@H](C)C3)COC2)C[C@@H]1C ZINC000679854752 487468996 /nfs/dbraw/zinc/46/89/96/487468996.db2.gz GQJGTSJGYCWMHI-ROUUACIJSA-N 2 1 338.540 1.055 20 0 EDADMP CC[NH+]1CCN(CC2(CN3CC[N@H+](CC)[C@@H](C)C3)COC2)C[C@@H]1C ZINC000679854752 487468997 /nfs/dbraw/zinc/46/89/97/487468997.db2.gz GQJGTSJGYCWMHI-ROUUACIJSA-N 2 1 338.540 1.055 20 0 EDADMP C[C@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000669538390 485520034 /nfs/dbraw/zinc/52/00/34/485520034.db2.gz OOTGWUHVFYAPHE-GOEBONIOSA-N 2 1 326.485 1.317 20 0 EDADMP C[C@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538390 485520041 /nfs/dbraw/zinc/52/00/41/485520041.db2.gz OOTGWUHVFYAPHE-GOEBONIOSA-N 2 1 326.485 1.317 20 0 EDADMP Cc1ccc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)c(N2CCCC2)[nH+]1 ZINC000669555871 485557147 /nfs/dbraw/zinc/55/71/47/485557147.db2.gz MNIGMYJGOAJAIR-ZDUSSCGKSA-N 2 1 341.406 1.772 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000669021249 485567976 /nfs/dbraw/zinc/56/79/76/485567976.db2.gz MDNKXXZERWDIBR-OAGGEKHMSA-N 2 1 326.485 1.112 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000669573787 485605854 /nfs/dbraw/zinc/60/58/54/485605854.db2.gz WIPRRNNQBKVBET-NXHRZFHOSA-N 2 1 330.476 1.948 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1C[NH2+]C1 ZINC000669581467 485628051 /nfs/dbraw/zinc/62/80/51/485628051.db2.gz JMRGCGDYZXYCSX-KRWDZBQOSA-N 2 1 330.476 1.806 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669591331 485647731 /nfs/dbraw/zinc/64/77/31/485647731.db2.gz QKLKOWJFGICSAH-IRXDYDNUSA-N 2 1 338.496 1.130 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000669220999 485825288 /nfs/dbraw/zinc/82/52/88/485825288.db2.gz LRAHUPHCZUFXDP-INIZCTEOSA-N 2 1 340.512 1.071 20 0 EDADMP CC1([NH3+])CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000668602837 485936598 /nfs/dbraw/zinc/93/65/98/485936598.db2.gz WKVKCDDXXFFRBZ-UHFFFAOYSA-N 2 1 338.496 1.544 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(F)cc(Br)c1 ZINC000093996577 486000149 /nfs/dbraw/zinc/00/01/49/486000149.db2.gz JSKHHGLMQUCOCU-UHFFFAOYSA-N 2 1 330.245 1.925 20 0 EDADMP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000668688093 486047852 /nfs/dbraw/zinc/04/78/52/486047852.db2.gz KAMFXGPZSZASPA-QGZVFWFLSA-N 2 1 348.491 1.815 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)NC[C@@H]1CCCC[NH2+]1 ZINC000669396802 486053592 /nfs/dbraw/zinc/05/35/92/486053592.db2.gz XJNVIUQRPQSGAJ-SFHVURJKSA-N 2 1 346.475 1.460 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccccc2-n2cncn2)CCO1 ZINC000668785573 486194934 /nfs/dbraw/zinc/19/49/34/486194934.db2.gz SHDOIWFVQOOGKZ-QGZVFWFLSA-N 2 1 329.448 1.810 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccccc2-n2cncn2)CCO1 ZINC000668785573 486194940 /nfs/dbraw/zinc/19/49/40/486194940.db2.gz SHDOIWFVQOOGKZ-QGZVFWFLSA-N 2 1 329.448 1.810 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494911 486267157 /nfs/dbraw/zinc/26/71/57/486267157.db2.gz VDPSCTUWWFCXIK-JFIYKMOQSA-N 2 1 348.491 1.573 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494911 486267161 /nfs/dbraw/zinc/26/71/61/486267161.db2.gz VDPSCTUWWFCXIK-JFIYKMOQSA-N 2 1 348.491 1.573 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC[NH2+]CC1 ZINC000669495492 490998595 /nfs/dbraw/zinc/99/85/95/490998595.db2.gz VGFUIFDQZBDPMW-KRWDZBQOSA-N 2 1 345.491 1.202 20 0 EDADMP CN(CCC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cc[nH+]cc1 ZINC000679409374 491011150 /nfs/dbraw/zinc/01/11/50/491011150.db2.gz ZTOBATNFSVIOES-INIZCTEOSA-N 2 1 345.491 1.193 20 0 EDADMP CN(CCC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc[nH+]cc1 ZINC000679409374 491011152 /nfs/dbraw/zinc/01/11/52/491011152.db2.gz ZTOBATNFSVIOES-INIZCTEOSA-N 2 1 345.491 1.193 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000081328597 491177532 /nfs/dbraw/zinc/17/75/32/491177532.db2.gz WAUQVLWDVULIFV-ZWKOTPCHSA-N 2 1 328.460 1.743 20 0 EDADMP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000081328597 491177538 /nfs/dbraw/zinc/17/75/38/491177538.db2.gz WAUQVLWDVULIFV-ZWKOTPCHSA-N 2 1 328.460 1.743 20 0 EDADMP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000530247585 517308349 /nfs/dbraw/zinc/30/83/49/517308349.db2.gz AXVCZEFLPHKRIY-AWEZNQCLSA-N 3 1 336.505 1.379 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000089962859 534902263 /nfs/dbraw/zinc/90/22/63/534902263.db2.gz QXQLCTCGSPOPFD-FGTMMUONSA-N 2 1 333.476 1.324 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000270561036 536455618 /nfs/dbraw/zinc/45/56/18/536455618.db2.gz SXOXFTLNQKFXJY-SJORKVTESA-N 2 1 346.475 1.188 20 0 EDADMP CC1(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000183348696 527941881 /nfs/dbraw/zinc/94/18/81/527941881.db2.gz WSWGDOWNDWILSY-UHFFFAOYSA-N 2 1 344.503 1.310 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183845964 527955170 /nfs/dbraw/zinc/95/51/70/527955170.db2.gz OALMLRKILQJTCV-UHFFFAOYSA-N 2 1 334.464 1.767 20 0 EDADMP CC(C)[C@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)[NH+](C)C ZINC000130682371 528929958 /nfs/dbraw/zinc/92/99/58/528929958.db2.gz DQWQZKJBQPZEOE-DLBZAZTESA-N 2 1 346.475 1.661 20 0 EDADMP CC(C)[C@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)[NH+](C)C ZINC000130682371 528929961 /nfs/dbraw/zinc/92/99/61/528929961.db2.gz DQWQZKJBQPZEOE-DLBZAZTESA-N 2 1 346.475 1.661 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000340116386 535143920 /nfs/dbraw/zinc/14/39/20/535143920.db2.gz MJHPPWMPMVWVJC-BBWFWOEESA-N 2 1 325.497 1.615 20 0 EDADMP CC(C)n1nccc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261787892 535146346 /nfs/dbraw/zinc/14/63/46/535146346.db2.gz FZYJCJAYHHCYGP-WBVHZDCISA-N 2 1 333.480 1.544 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000345854997 535199949 /nfs/dbraw/zinc/19/99/49/535199949.db2.gz XYGVLTHPXATLLN-QRVBRYPASA-N 2 1 339.524 1.264 20 0 EDADMP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236815364 535307231 /nfs/dbraw/zinc/30/72/31/535307231.db2.gz FXQGMMODCSHRQL-IEBWSBKVSA-N 2 1 333.476 1.767 20 0 EDADMP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236815364 535307234 /nfs/dbraw/zinc/30/72/34/535307234.db2.gz FXQGMMODCSHRQL-IEBWSBKVSA-N 2 1 333.476 1.767 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000353105871 535331668 /nfs/dbraw/zinc/33/16/68/535331668.db2.gz AEUFRHUKCMRUSY-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000340052102 535560125 /nfs/dbraw/zinc/56/01/25/535560125.db2.gz RZWCDHLNPCEGSN-UHFFFAOYSA-N 2 1 327.494 1.726 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000263676361 535681892 /nfs/dbraw/zinc/68/18/92/535681892.db2.gz MLSWOPKWKBUHAO-LJQANCHMSA-N 2 1 346.519 1.742 20 0 EDADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000346932642 535788190 /nfs/dbraw/zinc/78/81/90/535788190.db2.gz HRDCXZDGAXEZRQ-HZPDHXFCSA-N 2 1 327.513 1.875 20 0 EDADMP C[NH+](C)Cc1cnc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000352760235 536058063 /nfs/dbraw/zinc/05/80/63/536058063.db2.gz ANSZPSZEISHFLK-AWEZNQCLSA-N 2 1 338.521 1.795 20 0 EDADMP C[NH+](C)C(C)(C)CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000045012929 536109018 /nfs/dbraw/zinc/10/90/18/536109018.db2.gz CQOXJLURPVGRPV-UHFFFAOYSA-N 2 1 332.492 1.261 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000237140057 536372696 /nfs/dbraw/zinc/37/26/96/536372696.db2.gz BASHHIXRSLYDRJ-LJQANCHMSA-N 2 1 330.476 1.267 20 0 EDADMP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262006896 536628930 /nfs/dbraw/zinc/62/89/30/536628930.db2.gz VDAAYLPTOYXKQC-IPMKNSEASA-N 2 1 334.460 1.959 20 0 EDADMP COC[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248399461 536754315 /nfs/dbraw/zinc/75/43/15/536754315.db2.gz OVKKINKBMBJEEL-SJLPKXTDSA-N 2 1 333.476 1.764 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247831843 536792149 /nfs/dbraw/zinc/79/21/49/536792149.db2.gz HVCOPXZVUSKAIS-IXDOHACOSA-N 2 1 343.512 1.205 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247831843 536792155 /nfs/dbraw/zinc/79/21/55/536792155.db2.gz HVCOPXZVUSKAIS-IXDOHACOSA-N 2 1 343.512 1.205 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247831843 536792157 /nfs/dbraw/zinc/79/21/57/536792157.db2.gz HVCOPXZVUSKAIS-IXDOHACOSA-N 2 1 343.512 1.205 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247831843 536792161 /nfs/dbraw/zinc/79/21/61/536792161.db2.gz HVCOPXZVUSKAIS-IXDOHACOSA-N 2 1 343.512 1.205 20 0 EDADMP CCc1nc2ccccc2n1CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000725897067 578301855 /nfs/dbraw/zinc/30/18/55/578301855.db2.gz QCJDIQHGOVSGBB-LSDHHAIUSA-N 2 1 342.443 1.578 20 0 EDADMP O=C(CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1C(=O)NC1CC1 ZINC000728913853 578554245 /nfs/dbraw/zinc/55/42/45/578554245.db2.gz XWZASANVKLBSAY-OKILXGFUSA-N 2 1 342.443 1.059 20 0 EDADMP C[C@@H](CNC(=S)NCC1CC[NH+](C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000760474299 580031559 /nfs/dbraw/zinc/03/15/59/580031559.db2.gz ILHRORNBYVTCHC-CABCVRRESA-N 2 1 326.554 1.913 20 0 EDADMP C[C@H](CNC(=O)NCCN1CCO[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000732459554 578713696 /nfs/dbraw/zinc/71/36/96/578713696.db2.gz XAIYLKRZAVAOPS-SJORKVTESA-N 2 1 348.491 1.527 20 0 EDADMP CN(C(=O)/C=C\C1CCOCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732659987 578722287 /nfs/dbraw/zinc/72/22/87/578722287.db2.gz ANIXBLHVQLRTLI-JXCVUKRWSA-N 2 1 335.492 1.596 20 0 EDADMP CN(C(=O)/C=C\C1CCOCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732659987 578722289 /nfs/dbraw/zinc/72/22/89/578722289.db2.gz ANIXBLHVQLRTLI-JXCVUKRWSA-N 2 1 335.492 1.596 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732834646 578732432 /nfs/dbraw/zinc/73/24/32/578732432.db2.gz TWPKVTCABSLCMA-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000732834646 578732433 /nfs/dbraw/zinc/73/24/33/578732433.db2.gz TWPKVTCABSLCMA-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000732834646 578732434 /nfs/dbraw/zinc/73/24/34/578732434.db2.gz TWPKVTCABSLCMA-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732834646 578732435 /nfs/dbraw/zinc/73/24/35/578732435.db2.gz TWPKVTCABSLCMA-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732834646 578732436 /nfs/dbraw/zinc/73/24/36/578732436.db2.gz TWPKVTCABSLCMA-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000732871934 578733680 /nfs/dbraw/zinc/73/36/80/578733680.db2.gz NVFGEXMHFNDNLS-INIZCTEOSA-N 2 1 329.448 1.365 20 0 EDADMP COCC[N@@H+]1CCN(C(=S)NCC(C)(C)C[NH+](C)C)C[C@H]1C ZINC000735241334 578871181 /nfs/dbraw/zinc/87/11/81/578871181.db2.gz HSXSEPFCEWRFSG-CQSZACIVSA-N 2 1 330.542 1.101 20 0 EDADMP COCC[N@H+]1CCN(C(=S)NCC(C)(C)C[NH+](C)C)C[C@H]1C ZINC000735241334 578871182 /nfs/dbraw/zinc/87/11/82/578871182.db2.gz HSXSEPFCEWRFSG-CQSZACIVSA-N 2 1 330.542 1.101 20 0 EDADMP CC(C)[C@@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000738240331 579176252 /nfs/dbraw/zinc/17/62/52/579176252.db2.gz NWBRRGHFWVJDTR-OAHLLOKOSA-N 2 1 336.480 1.718 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NCCC[NH+](C)C ZINC000751012531 579791416 /nfs/dbraw/zinc/79/14/16/579791416.db2.gz VQLTYOWWFXACKY-INIZCTEOSA-N 3 1 343.585 1.161 20 0 EDADMP CC1CC[NH+](C2CCC(NC(=O)CC[NH+]3CCOCC3)CC2)CC1 ZINC000752451887 579859473 /nfs/dbraw/zinc/85/94/73/579859473.db2.gz IAEFHZBCEUXKEZ-UHFFFAOYSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[S@@](=O)C1 ZINC000763650623 580103421 /nfs/dbraw/zinc/10/34/21/580103421.db2.gz QTXTZWKZDUKDIH-WAIKUNEKSA-N 2 1 335.517 1.639 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[S@@](=O)C1 ZINC000763650623 580103422 /nfs/dbraw/zinc/10/34/22/580103422.db2.gz QTXTZWKZDUKDIH-WAIKUNEKSA-N 2 1 335.517 1.639 20 0 EDADMP C[NH+](C)CCOC1CC[NH+](CN2C[C@H](c3cccnc3)CC2=O)CC1 ZINC000765690833 580148684 /nfs/dbraw/zinc/14/86/84/580148684.db2.gz AJNQPIKAFVNRLP-QGZVFWFLSA-N 2 1 346.475 1.398 20 0 EDADMP CCC[C@@H]1CN(C(=S)NCCC[NH+](C)C)CC[N@H+]1CCOC ZINC000766698973 580172163 /nfs/dbraw/zinc/17/21/63/580172163.db2.gz FCIBWEILZOFXJQ-OAHLLOKOSA-N 2 1 330.542 1.245 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=S)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000768478336 580214482 /nfs/dbraw/zinc/21/44/82/580214482.db2.gz BSUAJFKFYVJKDX-LSDHHAIUSA-N 2 1 326.554 1.865 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@H+](C)CCN2CCCS2(=O)=O)cc1 ZINC000769557254 580239989 /nfs/dbraw/zinc/23/99/89/580239989.db2.gz NGNGLHSRNBWFOW-UHFFFAOYSA-N 2 1 325.478 1.216 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCN2CCCS2(=O)=O)cc1 ZINC000769557254 580239990 /nfs/dbraw/zinc/23/99/90/580239990.db2.gz NGNGLHSRNBWFOW-UHFFFAOYSA-N 2 1 325.478 1.216 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCNC(=O)OC(C)(C)C)CC2)C1 ZINC000774881005 580376365 /nfs/dbraw/zinc/37/63/65/580376365.db2.gz NOYFLZNGTAWKMF-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCNC(=O)OC(C)(C)C)CC2)C1 ZINC000774881005 580376366 /nfs/dbraw/zinc/37/63/66/580376366.db2.gz NOYFLZNGTAWKMF-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP Cc1ccc(NC(=O)CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)c(C)c1 ZINC000779648737 580492703 /nfs/dbraw/zinc/49/27/03/580492703.db2.gz GBXXBUMRDQDGPV-MRXNPFEDSA-N 2 1 348.447 1.850 20 0 EDADMP Cc1ccc(NC(=O)CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)c(C)c1 ZINC000779648737 580492704 /nfs/dbraw/zinc/49/27/04/580492704.db2.gz GBXXBUMRDQDGPV-MRXNPFEDSA-N 2 1 348.447 1.850 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000779654738 580493512 /nfs/dbraw/zinc/49/35/12/580493512.db2.gz QSPYKLOPOQWAFD-KFWWJZLASA-N 2 1 340.468 1.289 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000779654738 580493513 /nfs/dbraw/zinc/49/35/13/580493513.db2.gz QSPYKLOPOQWAFD-KFWWJZLASA-N 2 1 340.468 1.289 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000781221989 580544702 /nfs/dbraw/zinc/54/47/02/580544702.db2.gz CPIAWFMCQLDWEI-MRXNPFEDSA-N 2 1 327.513 1.802 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000781221989 580544703 /nfs/dbraw/zinc/54/47/03/580544703.db2.gz CPIAWFMCQLDWEI-MRXNPFEDSA-N 2 1 327.513 1.802 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000781221989 580544704 /nfs/dbraw/zinc/54/47/04/580544704.db2.gz CPIAWFMCQLDWEI-MRXNPFEDSA-N 2 1 327.513 1.802 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792500236 580821425 /nfs/dbraw/zinc/82/14/25/580821425.db2.gz YUPPSLNBVQRZAD-SFHVURJKSA-N 2 1 331.460 1.347 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792500236 580821426 /nfs/dbraw/zinc/82/14/26/580821426.db2.gz YUPPSLNBVQRZAD-SFHVURJKSA-N 2 1 331.460 1.347 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC[C@@]2(C)CCC(=O)N2)CC1 ZINC000793160721 580837031 /nfs/dbraw/zinc/83/70/31/580837031.db2.gz CGKHVBADSZONBP-SFHVURJKSA-N 2 1 345.447 1.221 20 0 EDADMP CC1(C)OC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)O1 ZINC000893046128 590633209 /nfs/dbraw/zinc/63/32/09/590633209.db2.gz DJVMNHYDPFWGJB-FGTMMUONSA-N 2 1 334.460 1.611 20 0 EDADMP CC1(C)OC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)O1 ZINC000893046128 590633211 /nfs/dbraw/zinc/63/32/11/590633211.db2.gz DJVMNHYDPFWGJB-FGTMMUONSA-N 2 1 334.460 1.611 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCCCCC[NH+](C)C)[C@H](C)C1 ZINC000806541244 590636727 /nfs/dbraw/zinc/63/67/27/590636727.db2.gz HUYRDXFRRXXBAS-IAGOWNOFSA-N 2 1 342.528 1.595 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000891917005 590687891 /nfs/dbraw/zinc/68/78/91/590687891.db2.gz DOZHFUOVGACQNO-KRWDZBQOSA-N 2 1 326.485 1.115 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)[nH+]c1 ZINC000891940881 590697601 /nfs/dbraw/zinc/69/76/01/590697601.db2.gz OUUFWHWXEWUHDG-QAPCUYQASA-N 2 1 331.464 1.785 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)[nH+]c1 ZINC000891940881 590697603 /nfs/dbraw/zinc/69/76/03/590697603.db2.gz OUUFWHWXEWUHDG-QAPCUYQASA-N 2 1 331.464 1.785 20 0 EDADMP COCCC1(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH2+]CC1 ZINC000891953811 590703977 /nfs/dbraw/zinc/70/39/77/590703977.db2.gz BTVSKOAABQFGJZ-HNNXBMFYSA-N 2 1 326.485 1.176 20 0 EDADMP COCC[NH2+]CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000892050585 590774346 /nfs/dbraw/zinc/77/43/46/590774346.db2.gz DPOFCGXNDFYIDW-WMZOPIPTSA-N 2 1 348.491 1.290 20 0 EDADMP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)nc12 ZINC000893382136 590820842 /nfs/dbraw/zinc/82/08/42/590820842.db2.gz NBVKSYQAWTTYLU-HOCLYGCPSA-N 2 1 327.432 1.531 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000892145146 590820975 /nfs/dbraw/zinc/82/09/75/590820975.db2.gz LBYRFMGNPKOKNE-XYVMCAHJSA-N 2 1 330.476 1.886 20 0 EDADMP CN(C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000892400528 591012119 /nfs/dbraw/zinc/01/21/19/591012119.db2.gz SWUCLOLYXGRYDD-SJLPKXTDSA-N 2 1 330.476 1.825 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892438866 591028754 /nfs/dbraw/zinc/02/87/54/591028754.db2.gz JICQXTNOKDJGFT-WKILWMFISA-N 2 1 339.528 1.219 20 0 EDADMP CC[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000891346558 591052513 /nfs/dbraw/zinc/05/25/13/591052513.db2.gz CRAQBOVGNJBTBQ-FHLIZLRMSA-N 2 1 330.476 1.860 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892556193 591071063 /nfs/dbraw/zinc/07/10/63/591071063.db2.gz MHTFGBYYMNYPQX-HYVNUMGLSA-N 2 1 349.479 1.068 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000892556193 591071068 /nfs/dbraw/zinc/07/10/68/591071068.db2.gz MHTFGBYYMNYPQX-HYVNUMGLSA-N 2 1 349.479 1.068 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892592502 591084534 /nfs/dbraw/zinc/08/45/34/591084534.db2.gz AEIHZTFQNPYQRK-JONQDZQNSA-N 2 1 338.496 1.004 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1CC(C)(C)O ZINC000892594960 591086214 /nfs/dbraw/zinc/08/62/14/591086214.db2.gz ZBTGOPFIBZZKRC-LVQVYYBASA-N 2 1 338.496 1.004 20 0 EDADMP COCCC1(NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC[NH2+]CC1 ZINC000892613058 591096087 /nfs/dbraw/zinc/09/60/87/591096087.db2.gz BESJGYOSYVZFTL-KRWDZBQOSA-N 2 1 346.475 1.631 20 0 EDADMP COCCC1(NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC[NH2+]CC1 ZINC000892613058 591096092 /nfs/dbraw/zinc/09/60/92/591096092.db2.gz BESJGYOSYVZFTL-KRWDZBQOSA-N 2 1 346.475 1.631 20 0 EDADMP CC[NH+]1CCN(c2ccnc(N3CC[N@@H+](CC)C[C@H]3C)n2)[C@@H](C)C1 ZINC000893830352 591106902 /nfs/dbraw/zinc/10/69/02/591106902.db2.gz RZVVMCUVYDBOSA-JKSUJKDBSA-N 2 1 332.496 1.537 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891536184 591113543 /nfs/dbraw/zinc/11/35/43/591113543.db2.gz POEWEZAKEMGELE-KBXCAEBGSA-N 2 1 341.459 1.841 20 0 EDADMP CN(CCCCCC[NH3+])C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000891561627 591126011 /nfs/dbraw/zinc/12/60/11/591126011.db2.gz WXMYIQUJZFDNGQ-INIZCTEOSA-N 2 1 339.528 1.315 20 0 EDADMP CN(CCCCCC[NH3+])C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000891561627 591126012 /nfs/dbraw/zinc/12/60/12/591126012.db2.gz WXMYIQUJZFDNGQ-INIZCTEOSA-N 2 1 339.528 1.315 20 0 EDADMP OCc1c[nH+]ccc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000891596234 591141271 /nfs/dbraw/zinc/14/12/71/591141271.db2.gz PRRXKTSUQWNVIM-UHFFFAOYSA-N 2 1 341.411 1.667 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891673025 591178765 /nfs/dbraw/zinc/17/87/65/591178765.db2.gz GNMIKHOOCOHMCH-FZKQIMNGSA-N 2 1 328.460 1.614 20 0 EDADMP COC1CCC(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000892794828 591182565 /nfs/dbraw/zinc/18/25/65/591182565.db2.gz WZUNDNITARNSTF-OFLPRAFFSA-N 2 1 325.497 1.724 20 0 EDADMP COC1CCC(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000892794828 591182567 /nfs/dbraw/zinc/18/25/67/591182567.db2.gz WZUNDNITARNSTF-OFLPRAFFSA-N 2 1 325.497 1.724 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892803379 591182742 /nfs/dbraw/zinc/18/27/42/591182742.db2.gz RLBUJQTUDBOYRM-GBESFXJTSA-N 2 1 342.487 1.827 20 0 EDADMP [NH3+]CC1(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCCCC1 ZINC000891685903 591185375 /nfs/dbraw/zinc/18/53/75/591185375.db2.gz SJXYDBNNYLRVMA-HOTGVXAUSA-N 2 1 338.496 1.591 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1(F)F ZINC000894094254 591191159 /nfs/dbraw/zinc/19/11/59/591191159.db2.gz KLHDRMVYDUAXLG-UNQGMJICSA-N 2 1 328.403 1.989 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1(F)F ZINC000894094254 591191163 /nfs/dbraw/zinc/19/11/63/591191163.db2.gz KLHDRMVYDUAXLG-UNQGMJICSA-N 2 1 328.403 1.989 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1(F)F ZINC000894094254 591191166 /nfs/dbraw/zinc/19/11/66/591191166.db2.gz KLHDRMVYDUAXLG-UNQGMJICSA-N 2 1 328.403 1.989 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1(F)F ZINC000894094254 591191169 /nfs/dbraw/zinc/19/11/69/591191169.db2.gz KLHDRMVYDUAXLG-UNQGMJICSA-N 2 1 328.403 1.989 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892951730 591237480 /nfs/dbraw/zinc/23/74/80/591237480.db2.gz QSAYBTBQDPIJBV-JYJNAYRXSA-N 2 1 330.444 1.447 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cccc3c2NCCC3)C1 ZINC000894242617 591242531 /nfs/dbraw/zinc/24/25/31/591242531.db2.gz QGTHQJGTVMODDV-QGZVFWFLSA-N 2 1 330.476 1.722 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cccc3c2NCCC3)C1 ZINC000894242617 591242532 /nfs/dbraw/zinc/24/25/32/591242532.db2.gz QGTHQJGTVMODDV-QGZVFWFLSA-N 2 1 330.476 1.722 20 0 EDADMP C[NH+](C)C1(CNC(=O)NCC[N@H+]2CCC(C)(C)C2)CCOCC1 ZINC000892971683 591243850 /nfs/dbraw/zinc/24/38/50/591243850.db2.gz BYQCCPWFWLOEHP-UHFFFAOYSA-N 2 1 326.485 1.128 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC34CC[NH+](C)CC4)C2)CC1 ZINC000893025202 591257029 /nfs/dbraw/zinc/25/70/29/591257029.db2.gz YQOMVWWJUVWRGT-MRXNPFEDSA-N 2 1 349.523 1.035 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCC34CC[NH+](C)CC4)C2)CC1 ZINC000893025202 591257031 /nfs/dbraw/zinc/25/70/31/591257031.db2.gz YQOMVWWJUVWRGT-MRXNPFEDSA-N 2 1 349.523 1.035 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000895712602 591258672 /nfs/dbraw/zinc/25/86/72/591258672.db2.gz AOUIOQDTMNQQEK-QZTJIDSGSA-N 2 1 333.476 1.764 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000895712602 591258674 /nfs/dbraw/zinc/25/86/74/591258674.db2.gz AOUIOQDTMNQQEK-QZTJIDSGSA-N 2 1 333.476 1.764 20 0 EDADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n[nH]1 ZINC000895796240 591275070 /nfs/dbraw/zinc/27/50/70/591275070.db2.gz JUFAKSHNVOTFPO-PBHICJAKSA-N 2 1 331.464 1.877 20 0 EDADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n[nH]1 ZINC000895796240 591275071 /nfs/dbraw/zinc/27/50/71/591275071.db2.gz JUFAKSHNVOTFPO-PBHICJAKSA-N 2 1 331.464 1.877 20 0 EDADMP CN1CCN(c2ncc(C[N@H+]3CC[C@H]([C@H]4CCCO4)C3)cn2)CC1 ZINC000895844354 591283179 /nfs/dbraw/zinc/28/31/79/591283179.db2.gz DTPSFBXHAUFJKU-DLBZAZTESA-N 2 1 331.464 1.229 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H]([C@H]4CCCO4)C3)cn2)CC1 ZINC000895844354 591283181 /nfs/dbraw/zinc/28/31/81/591283181.db2.gz DTPSFBXHAUFJKU-DLBZAZTESA-N 2 1 331.464 1.229 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000895900142 591299910 /nfs/dbraw/zinc/29/99/10/591299910.db2.gz YXIMSNLOUFRZRQ-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000895900142 591299911 /nfs/dbraw/zinc/29/99/11/591299911.db2.gz YXIMSNLOUFRZRQ-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000895900142 591299913 /nfs/dbraw/zinc/29/99/13/591299913.db2.gz YXIMSNLOUFRZRQ-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000898480450 591372532 /nfs/dbraw/zinc/37/25/32/591372532.db2.gz HPYZQBJVJFQUOP-ZBFHGGJFSA-N 2 1 347.463 1.050 20 0 EDADMP CN(CCC[N@@H+](C)Cc1c2c(nn1C)CCSC2)CC[NH+](C)C ZINC000894786477 591418011 /nfs/dbraw/zinc/41/80/11/591418011.db2.gz JBRAHRZWHQGZDQ-UHFFFAOYSA-N 2 1 339.553 1.525 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CCOCC1 ZINC000896355706 591435381 /nfs/dbraw/zinc/43/53/81/591435381.db2.gz XLMCYAXPRGJYJX-QZTJIDSGSA-N 2 1 345.487 1.906 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000897438372 591451169 /nfs/dbraw/zinc/45/11/69/591451169.db2.gz BDKIANVHIQBDMT-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000897438372 591451171 /nfs/dbraw/zinc/45/11/71/591451171.db2.gz BDKIANVHIQBDMT-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000897483236 591489398 /nfs/dbraw/zinc/48/93/98/591489398.db2.gz MRHKKMPRGLBQCP-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CSC1(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)CC[NH+](C)CC1 ZINC000894951253 591496843 /nfs/dbraw/zinc/49/68/43/591496843.db2.gz JQIMYBBGLJHIJE-LSDHHAIUSA-N 2 1 340.537 1.692 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000897077502 591734561 /nfs/dbraw/zinc/73/45/61/591734561.db2.gz LYKQKPBRTIAPSU-DZOHQFGASA-N 2 1 331.460 1.515 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000897077502 591734563 /nfs/dbraw/zinc/73/45/63/591734563.db2.gz LYKQKPBRTIAPSU-DZOHQFGASA-N 2 1 331.460 1.515 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000897077502 591734565 /nfs/dbraw/zinc/73/45/65/591734565.db2.gz LYKQKPBRTIAPSU-DZOHQFGASA-N 2 1 331.460 1.515 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000897077502 591734566 /nfs/dbraw/zinc/73/45/66/591734566.db2.gz LYKQKPBRTIAPSU-DZOHQFGASA-N 2 1 331.460 1.515 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1(F)F ZINC000895556922 591800674 /nfs/dbraw/zinc/80/06/74/591800674.db2.gz NELWWHCZCLSKTF-UBHSHLNASA-N 2 1 325.359 1.646 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1(F)F ZINC000895556922 591800676 /nfs/dbraw/zinc/80/06/76/591800676.db2.gz NELWWHCZCLSKTF-UBHSHLNASA-N 2 1 325.359 1.646 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000899952700 591839446 /nfs/dbraw/zinc/83/94/46/591839446.db2.gz OZKWVSGKYDHVFN-SJLPKXTDSA-N 2 1 337.508 1.747 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000899952700 591839449 /nfs/dbraw/zinc/83/94/49/591839449.db2.gz OZKWVSGKYDHVFN-SJLPKXTDSA-N 2 1 337.508 1.747 20 0 EDADMP CCc1ccc([C@H](CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)[NH+](C)C)cc1 ZINC000900013092 591863151 /nfs/dbraw/zinc/86/31/51/591863151.db2.gz GWPUYVNFRDFDNE-LNLFQRSKSA-N 2 1 333.476 1.423 20 0 EDADMP C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000897352897 591890366 /nfs/dbraw/zinc/89/03/66/591890366.db2.gz WZVWREWWXFNKDL-RLFYNMQTSA-N 2 1 335.492 1.476 20 0 EDADMP CC[NH+]1CCC(NC(=O)CO[NH+]=C(N)CCc2ccccc2)CC1 ZINC000902225247 591948998 /nfs/dbraw/zinc/94/89/98/591948998.db2.gz QNMMNJYUXJVTGZ-UHFFFAOYSA-N 2 1 332.448 1.718 20 0 EDADMP CN(C[C@@H](O)C[N@@H+]1CCC12CC[NH+](C)CC2)C(=O)OC(C)(C)C ZINC000899909894 591977244 /nfs/dbraw/zinc/97/72/44/591977244.db2.gz HCKUNUMMHHUTCL-CQSZACIVSA-N 2 1 327.469 1.384 20 0 EDADMP CN(C[C@@H](O)C[N@H+]1CCC12CC[NH+](C)CC2)C(=O)OC(C)(C)C ZINC000899909894 591977248 /nfs/dbraw/zinc/97/72/48/591977248.db2.gz HCKUNUMMHHUTCL-CQSZACIVSA-N 2 1 327.469 1.384 20 0 EDADMP CN1CC[N@H+](C)C[C@H]1CN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902345482 591977203 /nfs/dbraw/zinc/97/72/03/591977203.db2.gz DGGLEMGRXWNPAC-QAPCUYQASA-N 3 1 340.462 1.970 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902345482 591977206 /nfs/dbraw/zinc/97/72/06/591977206.db2.gz DGGLEMGRXWNPAC-QAPCUYQASA-N 3 1 340.462 1.970 20 0 EDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900411241 592011575 /nfs/dbraw/zinc/01/15/75/592011575.db2.gz FRAYMTJLPJLBBK-SFHVURJKSA-N 2 1 325.497 1.556 20 0 EDADMP CN(CC[NH+](C)C1CCCCC1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900411241 592011578 /nfs/dbraw/zinc/01/15/78/592011578.db2.gz FRAYMTJLPJLBBK-SFHVURJKSA-N 2 1 325.497 1.556 20 0 EDADMP CN(CC[NH+](C)C1CCCCC1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900411241 592011579 /nfs/dbraw/zinc/01/15/79/592011579.db2.gz FRAYMTJLPJLBBK-SFHVURJKSA-N 2 1 325.497 1.556 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900466349 592026277 /nfs/dbraw/zinc/02/62/77/592026277.db2.gz GMKHGYMELBVSIU-WMZOPIPTSA-N 2 1 325.497 1.604 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900466349 592026280 /nfs/dbraw/zinc/02/62/80/592026280.db2.gz GMKHGYMELBVSIU-WMZOPIPTSA-N 2 1 325.497 1.604 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900466349 592026282 /nfs/dbraw/zinc/02/62/82/592026282.db2.gz GMKHGYMELBVSIU-WMZOPIPTSA-N 2 1 325.497 1.604 20 0 EDADMP C[C@@H](NC(=O)CONC(=[NH2+])[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000902805927 592063291 /nfs/dbraw/zinc/06/32/91/592063291.db2.gz HCEIFNWXEVWANI-VNQPRFMTSA-N 2 1 346.431 1.225 20 0 EDADMP CN(C(=O)CONC(=[NH2+])[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000902811507 592068820 /nfs/dbraw/zinc/06/88/20/592068820.db2.gz XFLYQZNRHAFKGI-LSDHHAIUSA-N 2 1 332.404 1.011 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900628445 592076413 /nfs/dbraw/zinc/07/64/13/592076413.db2.gz ZSHXZSMKGYLBEM-ADKAHSJRSA-N 2 1 335.492 1.478 20 0 EDADMP CCOC(=O)[C@H]1CCCN(CC(=O)NC[C@@H]2CCCC[N@H+]2CC)C1 ZINC000900660225 592084156 /nfs/dbraw/zinc/08/41/56/592084156.db2.gz RXDBLNGHORAYHY-HOTGVXAUSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](CC(C)C)[NH+](C)C)C1 ZINC000900684606 592093359 /nfs/dbraw/zinc/09/33/59/592093359.db2.gz RYXKQBJYXLAGBC-HZPDHXFCSA-N 2 1 341.496 1.354 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](CC(C)C)[NH+](C)C)C1 ZINC000900684606 592093362 /nfs/dbraw/zinc/09/33/62/592093362.db2.gz RYXKQBJYXLAGBC-HZPDHXFCSA-N 2 1 341.496 1.354 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000900735974 592113165 /nfs/dbraw/zinc/11/31/65/592113165.db2.gz VLZUDOUDYMHCJQ-QGZVFWFLSA-N 2 1 340.556 1.885 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCO[C@]34CCOC4)c2)CCO1 ZINC000903076084 592116192 /nfs/dbraw/zinc/11/61/92/592116192.db2.gz JPGZQOHXTNPHLP-UXPWSPDFSA-N 2 1 346.471 1.945 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCO[C@]34CCOC4)c2)CCO1 ZINC000903076084 592116193 /nfs/dbraw/zinc/11/61/93/592116193.db2.gz JPGZQOHXTNPHLP-UXPWSPDFSA-N 2 1 346.471 1.945 20 0 EDADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)cc21 ZINC000900779774 592121547 /nfs/dbraw/zinc/12/15/47/592121547.db2.gz AYANNQOOPXUORX-APWZRJJASA-N 2 1 344.459 1.597 20 0 EDADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)cc21 ZINC000900779774 592121549 /nfs/dbraw/zinc/12/15/49/592121549.db2.gz AYANNQOOPXUORX-APWZRJJASA-N 2 1 344.459 1.597 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000903446002 592172976 /nfs/dbraw/zinc/17/29/76/592172976.db2.gz QVIKHOFQXBVNFC-MJGOQNOKSA-N 3 1 336.568 1.970 20 0 EDADMP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)NC(=O)NCC(F)(F)F ZINC000903484669 592177762 /nfs/dbraw/zinc/17/77/62/592177762.db2.gz UURIJLYWOMXKEB-SNVBAGLBSA-N 2 1 336.358 1.029 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H](C)C(=O)Nc1ccccc1C)C2 ZINC000903492026 592185085 /nfs/dbraw/zinc/18/50/85/592185085.db2.gz IKIHVHJUDSJTHI-GJRWTSMGSA-N 2 1 345.443 1.534 20 0 EDADMP CCC(C)(C)NC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903509405 592189929 /nfs/dbraw/zinc/18/99/29/592189929.db2.gz IBERVUDCPBOKPS-OIISXLGYSA-N 2 1 336.524 1.580 20 0 EDADMP C[C@H](C(=O)N1CCC(C)CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510809 592190558 /nfs/dbraw/zinc/19/05/58/592190558.db2.gz KTUUGEKGIMTPFT-QRQLOZEOSA-N 2 1 348.535 1.534 20 0 EDADMP CCCCc1nc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)no1 ZINC000903510432 592190682 /nfs/dbraw/zinc/19/06/82/592190682.db2.gz PLVFORLWVJIIQR-IYBDPMFKSA-N 2 1 333.480 1.813 20 0 EDADMP C[C@@H](C(=O)N1CCCCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510911 592190844 /nfs/dbraw/zinc/19/08/44/592190844.db2.gz UHGDSUWMEQQYHE-YTQUADARSA-N 2 1 348.535 1.678 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000901026905 592203839 /nfs/dbraw/zinc/20/38/39/592203839.db2.gz QNERNOYYQHFKGU-FUHWJXTLSA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000901026905 592203841 /nfs/dbraw/zinc/20/38/41/592203841.db2.gz QNERNOYYQHFKGU-FUHWJXTLSA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000901026905 592203842 /nfs/dbraw/zinc/20/38/42/592203842.db2.gz QNERNOYYQHFKGU-FUHWJXTLSA-N 2 1 336.524 1.392 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906658125 592239804 /nfs/dbraw/zinc/23/98/04/592239804.db2.gz VTEOIRLSINTRIL-MLGOLLRUSA-N 2 1 344.459 1.418 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906663040 592244805 /nfs/dbraw/zinc/24/48/05/592244805.db2.gz CCUAGWXZSVOFQA-GDBMZVCRSA-N 2 1 330.432 1.027 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@@H+]1C ZINC000906681464 592262970 /nfs/dbraw/zinc/26/29/70/592262970.db2.gz VZTVAERGHCTRSS-MRXNPFEDSA-N 2 1 346.475 1.618 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@H+]1C ZINC000906681464 592262972 /nfs/dbraw/zinc/26/29/72/592262972.db2.gz VZTVAERGHCTRSS-MRXNPFEDSA-N 2 1 346.475 1.618 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903713263 592291298 /nfs/dbraw/zinc/29/12/98/592291298.db2.gz KVOBUIDIRXYLTN-GFCCVEGCSA-N 2 1 343.830 1.645 20 0 EDADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000903745610 592292378 /nfs/dbraw/zinc/29/23/78/592292378.db2.gz LELHSHKSLLCGAD-XHSDSOJGSA-N 2 1 346.475 1.563 20 0 EDADMP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000903745610 592292383 /nfs/dbraw/zinc/29/23/83/592292383.db2.gz LELHSHKSLLCGAD-XHSDSOJGSA-N 2 1 346.475 1.563 20 0 EDADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000903753571 592296932 /nfs/dbraw/zinc/29/69/32/592296932.db2.gz WKSMYIHECWNQNR-HDMKZQKVSA-N 2 1 331.464 1.630 20 0 EDADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000903753571 592296935 /nfs/dbraw/zinc/29/69/35/592296935.db2.gz WKSMYIHECWNQNR-HDMKZQKVSA-N 2 1 331.464 1.630 20 0 EDADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000903753571 592296936 /nfs/dbraw/zinc/29/69/36/592296936.db2.gz WKSMYIHECWNQNR-HDMKZQKVSA-N 2 1 331.464 1.630 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4C[C@@H]5CC[C@H]4[NH2+]5)n3)cn2)CC1 ZINC000904657347 592297039 /nfs/dbraw/zinc/29/70/39/592297039.db2.gz DQVHXPYEBQQDBN-RRFJBIMHSA-N 2 1 340.431 1.491 20 0 EDADMP CCc1cnc(N2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)s1 ZINC000903739541 592302414 /nfs/dbraw/zinc/30/24/14/592302414.db2.gz LPFZRYQALHNDKA-WMLDXEAASA-N 2 1 336.505 1.596 20 0 EDADMP Cc1nc(CN(C)[C@@H]2CC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903741689 592302747 /nfs/dbraw/zinc/30/27/47/592302747.db2.gz RLYIZXSELULUJT-CVEARBPZSA-N 2 1 349.479 1.043 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903742009 592304111 /nfs/dbraw/zinc/30/41/11/592304111.db2.gz UJUJHCSSXONNJB-YQVWRLOYSA-N 2 1 330.476 1.892 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)[nH+]1 ZINC000903742009 592304117 /nfs/dbraw/zinc/30/41/17/592304117.db2.gz UJUJHCSSXONNJB-YQVWRLOYSA-N 3 1 330.476 1.892 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)[nH+]1 ZINC000903742009 592304121 /nfs/dbraw/zinc/30/41/21/592304121.db2.gz UJUJHCSSXONNJB-YQVWRLOYSA-N 3 1 330.476 1.892 20 0 EDADMP Cc1nsc(N2CCC[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)n1 ZINC000903741931 592304388 /nfs/dbraw/zinc/30/43/88/592304388.db2.gz TVDXNQUABBATSM-HOCLYGCPSA-N 2 1 337.493 1.127 20 0 EDADMP COCCOCCOCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000903768761 592309701 /nfs/dbraw/zinc/30/97/01/592309701.db2.gz QHDIWWWBDADHHM-BRWVUGGUSA-N 2 1 330.469 1.027 20 0 EDADMP C[NH+](C)CCCC1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000901276980 592310638 /nfs/dbraw/zinc/31/06/38/592310638.db2.gz SPXNWAOOXQBPHS-SFHVURJKSA-N 2 1 325.497 1.414 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)[C@H]2C1 ZINC000908096751 592314354 /nfs/dbraw/zinc/31/43/54/592314354.db2.gz LUUYXMGEPURLJH-IRXDYDNUSA-N 2 1 342.443 1.836 20 0 EDADMP CCCCn1nnnc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793925 592317393 /nfs/dbraw/zinc/31/73/93/592317393.db2.gz JXXVKMFZUMELSG-UHFFFAOYSA-N 2 1 328.464 1.966 20 0 EDADMP O=c1[nH]c2cccc(N3CC[NH+](C[C@H]4CCCC[NH2+]C4)CC3)c2[nH]1 ZINC000903786134 592322237 /nfs/dbraw/zinc/32/22/37/592322237.db2.gz FFDPIMSQARQTMB-AWEZNQCLSA-N 2 1 329.448 1.780 20 0 EDADMP CCOc1ccc(OC[C@@H](O)C[N@H+](C)C2(C[NH3+])CCOCC2)cc1 ZINC000903809840 592331284 /nfs/dbraw/zinc/33/12/84/592331284.db2.gz NCRVTXAJDCXBHC-HNNXBMFYSA-N 2 1 338.448 1.265 20 0 EDADMP CCOc1ccc(OC[C@@H](O)C[N@@H+](C)C2(C[NH3+])CCOCC2)cc1 ZINC000903809840 592331293 /nfs/dbraw/zinc/33/12/93/592331293.db2.gz NCRVTXAJDCXBHC-HNNXBMFYSA-N 2 1 338.448 1.265 20 0 EDADMP CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903888441 592350962 /nfs/dbraw/zinc/35/09/62/592350962.db2.gz CCAYUSACSRXQFV-HOTGVXAUSA-N 2 1 348.495 1.331 20 0 EDADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903888441 592350967 /nfs/dbraw/zinc/35/09/67/592350967.db2.gz CCAYUSACSRXQFV-HOTGVXAUSA-N 2 1 348.495 1.331 20 0 EDADMP C[C@H](O)C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903886442 592363272 /nfs/dbraw/zinc/36/32/72/592363272.db2.gz SOPSARFQAROPSL-RDJZCZTQSA-N 2 1 329.448 1.586 20 0 EDADMP C[C@H](O)C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903886442 592363279 /nfs/dbraw/zinc/36/32/79/592363279.db2.gz SOPSARFQAROPSL-RDJZCZTQSA-N 2 1 329.448 1.586 20 0 EDADMP C[N@@H+](CCN1CCN(C[C@@H]([NH3+])CC(F)F)CC1)Cc1ccccc1 ZINC000903892349 592363676 /nfs/dbraw/zinc/36/36/76/592363676.db2.gz RFCVPSZAMUDAJN-KRWDZBQOSA-N 2 1 340.462 1.719 20 0 EDADMP COc1ccccc1CC[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903892861 592366500 /nfs/dbraw/zinc/36/65/00/592366500.db2.gz XPGNIYCWEQXOSV-INIZCTEOSA-N 2 1 329.448 1.886 20 0 EDADMP COc1ccccc1CC[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903892861 592366504 /nfs/dbraw/zinc/36/65/04/592366504.db2.gz XPGNIYCWEQXOSV-INIZCTEOSA-N 2 1 329.448 1.886 20 0 EDADMP CCC1CCC([N@@H+](CCO)Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903912504 592375867 /nfs/dbraw/zinc/37/58/67/592375867.db2.gz FYUMUQNUWSEECR-OFLPRAFFSA-N 2 1 335.496 1.966 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC000905047684 592378272 /nfs/dbraw/zinc/37/82/72/592378272.db2.gz VGIBHZLFZDMNPF-XWTMOSNGSA-N 2 1 328.497 1.237 20 0 EDADMP COc1ccc(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1OC ZINC000903926022 592380141 /nfs/dbraw/zinc/38/01/41/592380141.db2.gz RGVZVUZSRIYYGN-AWEZNQCLSA-N 2 1 331.420 1.510 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)C[C@H]2CCc3nccn3C2)cnn1C ZINC000903917529 592390837 /nfs/dbraw/zinc/39/08/37/592390837.db2.gz ZGNVXEULVIEXOB-HZPDHXFCSA-N 2 1 330.480 1.237 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cnn1C ZINC000903917529 592390842 /nfs/dbraw/zinc/39/08/42/592390842.db2.gz ZGNVXEULVIEXOB-HZPDHXFCSA-N 3 1 330.480 1.237 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cnn1C ZINC000903917529 592390847 /nfs/dbraw/zinc/39/08/47/592390847.db2.gz ZGNVXEULVIEXOB-HZPDHXFCSA-N 3 1 330.480 1.237 20 0 EDADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903947787 592394194 /nfs/dbraw/zinc/39/41/94/592394194.db2.gz HVNDFNLGYBEEGD-KRWDZBQOSA-N 3 1 334.512 1.901 20 0 EDADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903947787 592394198 /nfs/dbraw/zinc/39/41/98/592394198.db2.gz HVNDFNLGYBEEGD-KRWDZBQOSA-N 3 1 334.512 1.901 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905108793 592410017 /nfs/dbraw/zinc/41/00/17/592410017.db2.gz BXPOUVAMYXRZRL-GOSISDBHSA-N 2 1 341.540 1.440 20 0 EDADMP C[C@H]1C[C@H](NC(=O)c2cccn2CCN2CCOCC2)C[N@H+]1C1CC1 ZINC000906941554 592421328 /nfs/dbraw/zinc/42/13/28/592421328.db2.gz NSZMJHFKAIUPGG-HOTGVXAUSA-N 2 1 346.475 1.175 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH+]3CCOC[C@@H]3C)CC2)C1 ZINC000908313636 592428888 /nfs/dbraw/zinc/42/88/88/592428888.db2.gz AFXOKRBUBPTEQO-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)C1 ZINC000908313636 592428892 /nfs/dbraw/zinc/42/88/92/592428892.db2.gz AFXOKRBUBPTEQO-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)C1 ZINC000908313636 592428893 /nfs/dbraw/zinc/42/88/93/592428893.db2.gz AFXOKRBUBPTEQO-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP COC(=O)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000906926324 592431983 /nfs/dbraw/zinc/43/19/83/592431983.db2.gz XELBRGOJWAOYKV-UHFFFAOYSA-N 2 1 339.480 1.204 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000905151949 592441486 /nfs/dbraw/zinc/44/14/86/592441486.db2.gz DCFXPQJLOZHOJF-VBSBHUPXSA-N 2 1 348.487 1.532 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000905151949 592441489 /nfs/dbraw/zinc/44/14/89/592441489.db2.gz DCFXPQJLOZHOJF-VBSBHUPXSA-N 2 1 348.487 1.532 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)c1ccccc1F)C2 ZINC000905503038 592546286 /nfs/dbraw/zinc/54/62/86/592546286.db2.gz MUEXGYNFVXPWHT-GFEQUFNTSA-N 2 1 336.451 1.928 20 0 EDADMP CCOCC[C@H](O)C[NH2+][C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000905504491 592547015 /nfs/dbraw/zinc/54/70/15/592547015.db2.gz XMVKPGMUGRDABK-YYWYGQEZSA-N 2 1 328.497 1.233 20 0 EDADMP CN(C)c1cc[nH+]c(CNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000905526174 592561435 /nfs/dbraw/zinc/56/14/35/592561435.db2.gz TXBLHPLJYJVWJA-LJQANCHMSA-N 2 1 328.460 1.730 20 0 EDADMP CN(C)c1cc[nH+]c(NCc2ccc(CN3CC[NH2+]CC3)cc2)n1 ZINC000905703905 592617083 /nfs/dbraw/zinc/61/70/83/592617083.db2.gz GXHIYUFMEIXHTB-UHFFFAOYSA-N 2 1 326.448 1.560 20 0 EDADMP O=C1CC[C@@H](Nc2cc[nH+]c3ccsc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000905712356 592620854 /nfs/dbraw/zinc/62/08/54/592620854.db2.gz OWCRPWSTVYNGDF-WBMJQRKESA-N 2 1 330.457 1.777 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)C1CC1 ZINC000907501552 592676357 /nfs/dbraw/zinc/67/63/57/592676357.db2.gz BTRCAOOIPVSRNW-GGPKGHCWSA-N 2 1 345.487 1.468 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)C1CC1 ZINC000907501552 592676359 /nfs/dbraw/zinc/67/63/59/592676359.db2.gz BTRCAOOIPVSRNW-GGPKGHCWSA-N 2 1 345.487 1.468 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)C1CC1 ZINC000907501552 592676361 /nfs/dbraw/zinc/67/63/61/592676361.db2.gz BTRCAOOIPVSRNW-GGPKGHCWSA-N 2 1 345.487 1.468 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000907762213 592781458 /nfs/dbraw/zinc/78/14/58/592781458.db2.gz INHBBUHPDPJLRO-SFHVURJKSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000907762213 592781460 /nfs/dbraw/zinc/78/14/60/592781460.db2.gz INHBBUHPDPJLRO-SFHVURJKSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000907762213 592781464 /nfs/dbraw/zinc/78/14/64/592781464.db2.gz INHBBUHPDPJLRO-SFHVURJKSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000907806869 592789712 /nfs/dbraw/zinc/78/97/12/592789712.db2.gz IOMBEVHHQUZEOB-NXHRZFHOSA-N 2 1 335.492 1.715 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907806869 592789713 /nfs/dbraw/zinc/78/97/13/592789713.db2.gz IOMBEVHHQUZEOB-NXHRZFHOSA-N 2 1 335.492 1.715 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000907806869 592789717 /nfs/dbraw/zinc/78/97/17/592789717.db2.gz IOMBEVHHQUZEOB-NXHRZFHOSA-N 2 1 335.492 1.715 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2nccnc2Cl)CC1 ZINC000906384496 592814774 /nfs/dbraw/zinc/81/47/74/592814774.db2.gz JEIARAKEWUAIDP-UHFFFAOYSA-N 2 1 332.795 1.529 20 0 EDADMP CC(C)(C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000906440053 592818524 /nfs/dbraw/zinc/81/85/24/592818524.db2.gz BYHOTQYTZURHQY-KRWDZBQOSA-N 2 1 337.508 1.964 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)[C@H](C)C1 ZINC000910283989 592821112 /nfs/dbraw/zinc/82/11/12/592821112.db2.gz YMEXLQHZUJQPIG-SJLPKXTDSA-N 2 1 330.476 1.989 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)[C@H](C)C1 ZINC000910283989 592821114 /nfs/dbraw/zinc/82/11/14/592821114.db2.gz YMEXLQHZUJQPIG-SJLPKXTDSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)[C@H](C)C1 ZINC000910283989 592821116 /nfs/dbraw/zinc/82/11/16/592821116.db2.gz YMEXLQHZUJQPIG-SJLPKXTDSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)[C@H](C)C1 ZINC000910283989 592821118 /nfs/dbraw/zinc/82/11/18/592821118.db2.gz YMEXLQHZUJQPIG-SJLPKXTDSA-N 2 1 330.476 1.989 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906645771 592865908 /nfs/dbraw/zinc/86/59/08/592865908.db2.gz NAIXQMSMHNCTQP-HNNXBMFYSA-N 2 1 346.475 1.712 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2C)C1 ZINC000911748472 592996854 /nfs/dbraw/zinc/99/68/54/592996854.db2.gz NINOQWJVNDPOOY-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC000912489311 593098715 /nfs/dbraw/zinc/09/87/15/593098715.db2.gz IBNULQFPLAZJSG-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP O[C@H](C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000838847599 593224064 /nfs/dbraw/zinc/22/40/64/593224064.db2.gz MZUHZBNRXCAUFI-WOJBJXKFSA-N 2 1 329.488 1.649 20 0 EDADMP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000838853105 593225653 /nfs/dbraw/zinc/22/56/53/593225653.db2.gz IVLBDEUHCUAWMO-DLBZAZTESA-N 2 1 339.524 1.924 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cnsn1 ZINC000839116553 593263993 /nfs/dbraw/zinc/26/39/93/593263993.db2.gz SGJOVKXRNGIORB-LBPRGKRZSA-N 2 1 326.470 1.418 20 0 EDADMP O=C1[C@@H]2CCC[C@@H]2CN1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000840003602 593334874 /nfs/dbraw/zinc/33/48/74/593334874.db2.gz NGJPUCMQVOAEAG-QZTJIDSGSA-N 2 1 335.492 1.637 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817888468 593645083 /nfs/dbraw/zinc/64/50/83/593645083.db2.gz GHGKDIMFHYSPNT-PWSUYJOCSA-N 2 1 343.415 1.136 20 0 EDADMP CCOC(=O)CC[C@@H](O)C[NH2+]Cc1cccnc1-n1cc[nH+]c1C ZINC000818970028 593731064 /nfs/dbraw/zinc/73/10/64/593731064.db2.gz KTSRGWNKYRXQDF-OAHLLOKOSA-N 2 1 332.404 1.370 20 0 EDADMP CON(C)C(=O)CC[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000819053358 593735858 /nfs/dbraw/zinc/73/58/58/593735858.db2.gz PJKMXXJWTKXPJE-UHFFFAOYSA-N 2 1 338.452 1.503 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C1=CC[N@@H+](C)CC1 ZINC000819220264 593745039 /nfs/dbraw/zinc/74/50/39/593745039.db2.gz KZNOGIQZPWOLPQ-DZGCQCFKSA-N 2 1 327.469 1.502 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000820074064 593788722 /nfs/dbraw/zinc/78/87/22/593788722.db2.gz GEEWVLPUSHTWOX-KRWDZBQOSA-N 2 1 341.544 1.384 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000820074064 593788723 /nfs/dbraw/zinc/78/87/23/593788723.db2.gz GEEWVLPUSHTWOX-KRWDZBQOSA-N 3 1 341.544 1.384 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000820074064 593788724 /nfs/dbraw/zinc/78/87/24/593788724.db2.gz GEEWVLPUSHTWOX-KRWDZBQOSA-N 3 1 341.544 1.384 20 0 EDADMP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)CC1 ZINC000820074064 593788725 /nfs/dbraw/zinc/78/87/25/593788725.db2.gz GEEWVLPUSHTWOX-KRWDZBQOSA-N 3 1 341.544 1.384 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)CC1 ZINC000820074064 593788726 /nfs/dbraw/zinc/78/87/26/593788726.db2.gz GEEWVLPUSHTWOX-KRWDZBQOSA-N 3 1 341.544 1.384 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H](O)c1ccsc1 ZINC000820075441 593789043 /nfs/dbraw/zinc/78/90/43/593789043.db2.gz XMLNSXRUUBKCFX-ZFWWWQNUSA-N 2 1 342.509 1.353 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H](O)c1ccsc1 ZINC000820075441 593789044 /nfs/dbraw/zinc/78/90/44/593789044.db2.gz XMLNSXRUUBKCFX-ZFWWWQNUSA-N 2 1 342.509 1.353 20 0 EDADMP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823696805 593837008 /nfs/dbraw/zinc/83/70/08/593837008.db2.gz HFMLGQUXFUOAFT-IRXDYDNUSA-N 2 1 342.447 1.334 20 0 EDADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821160220 593979105 /nfs/dbraw/zinc/97/91/05/593979105.db2.gz HKRZGTNIBKHNRS-AWEZNQCLSA-N 2 1 330.436 1.519 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821160220 593979107 /nfs/dbraw/zinc/97/91/07/593979107.db2.gz HKRZGTNIBKHNRS-AWEZNQCLSA-N 2 1 330.436 1.519 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821160220 593979108 /nfs/dbraw/zinc/97/91/08/593979108.db2.gz HKRZGTNIBKHNRS-AWEZNQCLSA-N 2 1 330.436 1.519 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821160220 593979110 /nfs/dbraw/zinc/97/91/10/593979110.db2.gz HKRZGTNIBKHNRS-AWEZNQCLSA-N 2 1 330.436 1.519 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1 ZINC000824451089 594014984 /nfs/dbraw/zinc/01/49/84/594014984.db2.gz GYTCSBAWOPNIEM-QGZVFWFLSA-N 2 1 347.459 1.901 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NCc2ccc(-c3nn[nH]n3)o2)[C@@H](C)C1 ZINC000821377808 594032346 /nfs/dbraw/zinc/03/23/46/594032346.db2.gz DRJLEKQIHPDCEY-ZFWWWQNUSA-N 2 1 348.451 1.686 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000827533740 594226394 /nfs/dbraw/zinc/22/63/94/594226394.db2.gz JPWGRYOCTQWHPX-HZPDHXFCSA-N 2 1 330.432 1.202 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000827533740 594226395 /nfs/dbraw/zinc/22/63/95/594226395.db2.gz JPWGRYOCTQWHPX-HZPDHXFCSA-N 2 1 330.432 1.202 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000829757432 594256119 /nfs/dbraw/zinc/25/61/19/594256119.db2.gz FCIAXXUBSRZNPK-IXDOHACOSA-N 2 1 325.497 1.772 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]([NH3+])C3CC3)cc2)C1 ZINC000828139308 594349959 /nfs/dbraw/zinc/34/99/59/594349959.db2.gz PNSBOJZKRDAEGA-RDJZCZTQSA-N 2 1 344.459 1.450 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000827091431 594638636 /nfs/dbraw/zinc/63/86/36/594638636.db2.gz WMHAUZSMZIAFMS-ZACQAIPSSA-N 2 1 342.528 1.857 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000827091431 594638638 /nfs/dbraw/zinc/63/86/38/594638638.db2.gz WMHAUZSMZIAFMS-ZACQAIPSSA-N 2 1 342.528 1.857 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000827091431 594638639 /nfs/dbraw/zinc/63/86/39/594638639.db2.gz WMHAUZSMZIAFMS-ZACQAIPSSA-N 2 1 342.528 1.857 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC000831600685 594686627 /nfs/dbraw/zinc/68/66/27/594686627.db2.gz XQBCWITXTWAODO-UHFFFAOYSA-N 2 1 345.487 1.880 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N(C)C2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000841674409 594933936 /nfs/dbraw/zinc/93/39/36/594933936.db2.gz IOGVWGPSFQPYJO-PJPHBNEVSA-N 2 1 326.485 1.397 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000841897544 594976286 /nfs/dbraw/zinc/97/62/86/594976286.db2.gz ZRRRJFXCUBQCME-IEBWSBKVSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@]1(CNC(=O)N2CCC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841898571 594976768 /nfs/dbraw/zinc/97/67/68/594976768.db2.gz OAZPIDGFOZUVHO-IBGZPJMESA-N 2 1 330.476 1.904 20 0 EDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCC1 ZINC000841966529 594991154 /nfs/dbraw/zinc/99/11/54/594991154.db2.gz FFHBIXQGHMBRKU-IBGZPJMESA-N 2 1 346.475 1.146 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000843388628 595097528 /nfs/dbraw/zinc/09/75/28/595097528.db2.gz UTIFBHMSUPXKMM-ZIAGYGMSSA-N 2 1 341.477 1.351 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCCCCCC[NH3+])cn1 ZINC000843050166 595274626 /nfs/dbraw/zinc/27/46/26/595274626.db2.gz FNWROUMBGCEDMU-UHFFFAOYSA-N 2 1 344.419 1.150 20 0 EDADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000844163509 595287895 /nfs/dbraw/zinc/28/78/95/595287895.db2.gz LHCPSIIMAFYODP-UHFFFAOYSA-N 2 1 333.432 1.876 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844175145 595292493 /nfs/dbraw/zinc/29/24/93/595292493.db2.gz BEAGJSVOEBBUBK-NXHRZFHOSA-N 2 1 331.460 1.707 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848596009 595414075 /nfs/dbraw/zinc/41/40/75/595414075.db2.gz QQEZNIVXFUZCBF-NSHDSACASA-N 2 1 342.325 1.265 20 0 EDADMP COc1ccc(NC(=[NH2+])NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000849072899 595478261 /nfs/dbraw/zinc/47/82/61/595478261.db2.gz PLSCOLLGVCDEQE-ZDUSSCGKSA-N 2 1 333.436 1.219 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000850579814 595536838 /nfs/dbraw/zinc/53/68/38/595536838.db2.gz BAESZVASVKOJEQ-CJNGLKHVSA-N 2 1 344.377 1.980 20 0 EDADMP CC[N@@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859995193 595537187 /nfs/dbraw/zinc/53/71/87/595537187.db2.gz DRYRRDBVDUVVOS-INIZCTEOSA-N 2 1 333.476 1.817 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000849495276 595550722 /nfs/dbraw/zinc/55/07/22/595550722.db2.gz BSMHRRBWTMQHBS-ZWKOTPCHSA-N 2 1 347.507 1.448 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849519157 595556548 /nfs/dbraw/zinc/55/65/48/595556548.db2.gz ILAHJZLHJAPZDR-QZTJIDSGSA-N 2 1 347.507 1.398 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849519157 595556550 /nfs/dbraw/zinc/55/65/50/595556550.db2.gz ILAHJZLHJAPZDR-QZTJIDSGSA-N 2 1 347.507 1.398 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849519157 595556554 /nfs/dbraw/zinc/55/65/54/595556554.db2.gz ILAHJZLHJAPZDR-QZTJIDSGSA-N 2 1 347.507 1.398 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849583359 595581480 /nfs/dbraw/zinc/58/14/80/595581480.db2.gz SVCZKXQGOADOEO-QZTJIDSGSA-N 2 1 349.523 1.646 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852865195 595584992 /nfs/dbraw/zinc/58/49/92/595584992.db2.gz UPBFYDYTOONEBE-KRWDZBQOSA-N 2 1 344.459 1.461 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000852865755 595585746 /nfs/dbraw/zinc/58/57/46/595585746.db2.gz OCSXWCQVGPCFJB-FVQBIDKESA-N 2 1 330.432 1.259 20 0 EDADMP O=C(C=C1CC[NH2+]CC1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000852902093 595606873 /nfs/dbraw/zinc/60/68/73/595606873.db2.gz AIEBVPQCWHIRQB-SFHVURJKSA-N 2 1 329.444 1.179 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000855346763 595682200 /nfs/dbraw/zinc/68/22/00/595682200.db2.gz LNNVWFMJIDJFIP-MAUKXSAKSA-N 2 1 344.519 1.587 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000855346763 595682204 /nfs/dbraw/zinc/68/22/04/595682204.db2.gz LNNVWFMJIDJFIP-MAUKXSAKSA-N 3 1 344.519 1.587 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000855346763 595682207 /nfs/dbraw/zinc/68/22/07/595682207.db2.gz LNNVWFMJIDJFIP-MAUKXSAKSA-N 3 1 344.519 1.587 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000855346763 595682211 /nfs/dbraw/zinc/68/22/11/595682211.db2.gz LNNVWFMJIDJFIP-MAUKXSAKSA-N 3 1 344.519 1.587 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000855346763 595682214 /nfs/dbraw/zinc/68/22/14/595682214.db2.gz LNNVWFMJIDJFIP-MAUKXSAKSA-N 3 1 344.519 1.587 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1nc(C2CC2)no1 ZINC000853459023 595756100 /nfs/dbraw/zinc/75/61/00/595756100.db2.gz AUYVPNZUDJCIHL-LBPRGKRZSA-N 2 1 338.456 1.018 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1nc(C2CC2)no1 ZINC000853459023 595756104 /nfs/dbraw/zinc/75/61/04/595756104.db2.gz AUYVPNZUDJCIHL-LBPRGKRZSA-N 2 1 338.456 1.018 20 0 EDADMP COc1cc(C[NH+]2CCN(c3cc[nH+]c(CO)c3)CC2)cc(OC)c1 ZINC000858433919 595794281 /nfs/dbraw/zinc/79/42/81/595794281.db2.gz PUNDPJXULXIZAS-UHFFFAOYSA-N 2 1 343.427 1.913 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@](O)(C(N)=O)c2ccccc2)cc1 ZINC000859212406 596005714 /nfs/dbraw/zinc/00/57/14/596005714.db2.gz JCRUKXDKAHNFQV-HXUWFJFHSA-N 2 1 341.455 1.553 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859215693 596006906 /nfs/dbraw/zinc/00/69/06/596006906.db2.gz ONHZOXIBCBVLBY-UHFFFAOYSA-N 3 1 346.519 1.781 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859215693 596006909 /nfs/dbraw/zinc/00/69/09/596006909.db2.gz ONHZOXIBCBVLBY-UHFFFAOYSA-N 3 1 346.519 1.781 20 0 EDADMP COC(CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)OC ZINC000852039432 596018079 /nfs/dbraw/zinc/01/80/79/596018079.db2.gz FBWSFOFEWQDKNA-IBGZPJMESA-N 2 1 347.503 1.888 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](COC)OC)C2)ccn1 ZINC000856583559 596021236 /nfs/dbraw/zinc/02/12/36/596021236.db2.gz JYZFWUFWYYNXIS-QZTJIDSGSA-N 2 1 337.464 1.648 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H](COC)OC)C2)ccn1 ZINC000856583559 596021239 /nfs/dbraw/zinc/02/12/39/596021239.db2.gz JYZFWUFWYYNXIS-QZTJIDSGSA-N 2 1 337.464 1.648 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H](COC)OC)C2)ccn1 ZINC000856583559 596021243 /nfs/dbraw/zinc/02/12/43/596021243.db2.gz JYZFWUFWYYNXIS-QZTJIDSGSA-N 2 1 337.464 1.648 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3(CO)COC3)C2)ccn1 ZINC000856599935 596029619 /nfs/dbraw/zinc/02/96/19/596029619.db2.gz PDEYFYKFOONDDE-GOSISDBHSA-N 2 1 349.475 1.384 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3(CO)COC3)C2)ccn1 ZINC000856599935 596029623 /nfs/dbraw/zinc/02/96/23/596029623.db2.gz PDEYFYKFOONDDE-GOSISDBHSA-N 2 1 349.475 1.384 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3(CO)COC3)C2)ccn1 ZINC000856599935 596029627 /nfs/dbraw/zinc/02/96/27/596029627.db2.gz PDEYFYKFOONDDE-GOSISDBHSA-N 2 1 349.475 1.384 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H](C)[NH+](C)C)C2)ccn1 ZINC000856631837 596040342 /nfs/dbraw/zinc/04/03/42/596040342.db2.gz NLKGDMTZFKDKAE-WMLDXEAASA-N 2 1 334.464 1.463 20 0 EDADMP C[C@@H](C(=O)N1CCC([NH+]2CCCOCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000861984525 596170136 /nfs/dbraw/zinc/17/01/36/596170136.db2.gz GNCKCDQWJLLVFG-BBWFWOEESA-N 2 1 337.508 1.961 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000861984525 596170140 /nfs/dbraw/zinc/17/01/40/596170140.db2.gz GNCKCDQWJLLVFG-BBWFWOEESA-N 2 1 337.508 1.961 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@H+]2CCCOCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000861984525 596170141 /nfs/dbraw/zinc/17/01/41/596170141.db2.gz GNCKCDQWJLLVFG-BBWFWOEESA-N 2 1 337.508 1.961 20 0 EDADMP Nc1c(-c2ccccc2)[nH+]cn1Cc1cn(CC[NH+]2CCCC2)nn1 ZINC000864653415 596297640 /nfs/dbraw/zinc/29/76/40/596297640.db2.gz UKWQCTABYZUORX-UHFFFAOYSA-N 2 1 337.431 1.868 20 0 EDADMP Cc1ccc(OCC[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866706809 596301874 /nfs/dbraw/zinc/30/18/74/596301874.db2.gz DNRHBGDYZAQOJR-UAGQMJEPSA-N 2 1 331.416 1.241 20 0 EDADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709124 596303021 /nfs/dbraw/zinc/30/30/21/596303021.db2.gz IKTUWMLSSDRTTN-NODPJGRNSA-N 2 1 337.370 1.893 20 0 EDADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709124 596303026 /nfs/dbraw/zinc/30/30/26/596303026.db2.gz IKTUWMLSSDRTTN-NODPJGRNSA-N 2 1 337.370 1.893 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000870891562 596391669 /nfs/dbraw/zinc/39/16/69/596391669.db2.gz FQAIRCYBCFICNP-GDAAHCPNSA-N 2 1 345.487 1.910 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000870891562 596391674 /nfs/dbraw/zinc/39/16/74/596391674.db2.gz FQAIRCYBCFICNP-GDAAHCPNSA-N 2 1 345.487 1.910 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@H]2CCCC[NH+](C)C2)cn1 ZINC000862795807 596414487 /nfs/dbraw/zinc/41/44/87/596414487.db2.gz MFIDGMONDGUCAE-BPQIPLTHSA-N 2 1 347.507 1.304 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000862795807 596414488 /nfs/dbraw/zinc/41/44/88/596414488.db2.gz MFIDGMONDGUCAE-BPQIPLTHSA-N 2 1 347.507 1.304 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000862795807 596414489 /nfs/dbraw/zinc/41/44/89/596414489.db2.gz MFIDGMONDGUCAE-BPQIPLTHSA-N 2 1 347.507 1.304 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC000871281147 596521336 /nfs/dbraw/zinc/52/13/36/596521336.db2.gz RHWIMOYLSSLYRO-SFHVURJKSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC000871281147 596521338 /nfs/dbraw/zinc/52/13/38/596521338.db2.gz RHWIMOYLSSLYRO-SFHVURJKSA-N 2 1 345.487 1.796 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH2+]CC1 ZINC000868011824 596654215 /nfs/dbraw/zinc/65/42/15/596654215.db2.gz YGUJTJKWHJJDOA-YJBOKZPZSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH2+]CC1 ZINC000868011824 596654216 /nfs/dbraw/zinc/65/42/16/596654216.db2.gz YGUJTJKWHJJDOA-YJBOKZPZSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C[C@H](C)O1 ZINC000868022653 596658027 /nfs/dbraw/zinc/65/80/27/596658027.db2.gz YNHWZPJGTIWIRG-YYIAUSFCSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C[C@H](C)O1 ZINC000868022653 596658028 /nfs/dbraw/zinc/65/80/28/596658028.db2.gz YNHWZPJGTIWIRG-YYIAUSFCSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C[C@H](C)O1 ZINC000868022653 596658033 /nfs/dbraw/zinc/65/80/33/596658033.db2.gz YNHWZPJGTIWIRG-YYIAUSFCSA-N 2 1 338.496 1.221 20 0 EDADMP O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000865773217 596677966 /nfs/dbraw/zinc/67/79/66/596677966.db2.gz JXHPBRWZJRSZQN-IRXDYDNUSA-N 2 1 342.443 1.455 20 0 EDADMP C[NH+]1CCN([C@@H](C[NH2+]C[C@H](O)CC(C)(C)O)c2cccs2)CC1 ZINC000871966996 596763270 /nfs/dbraw/zinc/76/32/70/596763270.db2.gz XFVIQBPZVZOECV-CABCVRRESA-N 2 1 341.521 1.148 20 0 EDADMP C[NH+]1CCN(CC(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000870189027 596790846 /nfs/dbraw/zinc/79/08/46/596790846.db2.gz HEMLOQADFXHCSI-UHFFFAOYSA-N 2 1 344.503 1.014 20 0 EDADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157027 596815693 /nfs/dbraw/zinc/81/56/93/596815693.db2.gz MZSUDBFNBIXRFL-ZBFHGGJFSA-N 2 1 339.480 1.285 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155006 596815784 /nfs/dbraw/zinc/81/57/84/596815784.db2.gz JGKNIEVDTIVGQW-JKSUJKDBSA-N 2 1 349.475 1.782 20 0 EDADMP CC(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000872214095 596838269 /nfs/dbraw/zinc/83/82/69/596838269.db2.gz NGOWOOCSGFBVGD-IPMKNSEASA-N 2 1 336.476 1.245 20 0 EDADMP CC(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000872214095 596838270 /nfs/dbraw/zinc/83/82/70/596838270.db2.gz NGOWOOCSGFBVGD-IPMKNSEASA-N 2 1 336.476 1.245 20 0 EDADMP CC(C)c1ncc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000872254955 596855779 /nfs/dbraw/zinc/85/57/79/596855779.db2.gz GZRMSWUZNUDBIG-BNOWGMLFSA-N 2 1 336.461 1.633 20 0 EDADMP CC(C)c1ncc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000872254955 596855781 /nfs/dbraw/zinc/85/57/81/596855781.db2.gz GZRMSWUZNUDBIG-BNOWGMLFSA-N 2 1 336.461 1.633 20 0 EDADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000873111699 597199648 /nfs/dbraw/zinc/19/96/48/597199648.db2.gz FWJRSXCUDDOLLP-HZMVEIRTSA-N 2 1 342.443 1.135 20 0 EDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)CC[NH2+]1 ZINC000873226720 597233370 /nfs/dbraw/zinc/23/33/70/597233370.db2.gz ACIOPHLXACVQJX-HSFUPAIVSA-N 2 1 337.508 1.506 20 0 EDADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000876726321 597307303 /nfs/dbraw/zinc/30/73/03/597307303.db2.gz DBUKEIORZCTCRY-ADMXURELSA-N 2 1 333.501 1.847 20 0 EDADMP CC[N@@H+](CCNC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)C(C)C ZINC000875209954 597333005 /nfs/dbraw/zinc/33/30/05/597333005.db2.gz FHAQMCICJXBWME-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000876782373 597338570 /nfs/dbraw/zinc/33/85/70/597338570.db2.gz WDDWYYLSFKYLBU-SJORKVTESA-N 2 1 330.476 1.298 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000876781426 597339021 /nfs/dbraw/zinc/33/90/21/597339021.db2.gz LIBKFYMTCHNTDM-IJEWVQPXSA-N 2 1 331.464 1.471 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)(N2CCCCC2)CC1 ZINC000876785020 597339711 /nfs/dbraw/zinc/33/97/11/597339711.db2.gz ODYJJFUETVOCLV-CVEARBPZSA-N 2 1 340.487 1.001 20 0 EDADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCOC1C[NH2+]C1 ZINC000877031135 597417245 /nfs/dbraw/zinc/41/72/45/597417245.db2.gz QWAIAXWHHKAJIU-SJLPKXTDSA-N 2 1 329.444 1.508 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000877230415 597469943 /nfs/dbraw/zinc/46/99/43/597469943.db2.gz AVFIEALCZKPWCW-KRWDZBQOSA-N 2 1 331.460 1.584 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000877230415 597469945 /nfs/dbraw/zinc/46/99/45/597469945.db2.gz AVFIEALCZKPWCW-KRWDZBQOSA-N 2 1 331.460 1.584 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877346807 597497476 /nfs/dbraw/zinc/49/74/76/597497476.db2.gz IHWJUZRHTOUVJI-QAPCUYQASA-N 2 1 325.412 1.526 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc2c(cnn2C)c1 ZINC000877525069 597530730 /nfs/dbraw/zinc/53/07/30/597530730.db2.gz PMVQSHYFGCHOMR-GOSISDBHSA-N 2 1 344.507 1.816 20 0 EDADMP COCC[N@H+](Cc1cnc([C@H](C)O)s1)CC1CC[NH+](C)CC1 ZINC000877664064 597546108 /nfs/dbraw/zinc/54/61/08/597546108.db2.gz GDDGFYBSLLDORQ-ZDUSSCGKSA-N 2 1 327.494 1.987 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000877990793 597568247 /nfs/dbraw/zinc/56/82/47/597568247.db2.gz WIOTYFVGDSCRPU-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000877990793 597568248 /nfs/dbraw/zinc/56/82/48/597568248.db2.gz WIOTYFVGDSCRPU-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1ccc(C(N)=O)cc1 ZINC000878287745 597592839 /nfs/dbraw/zinc/59/28/39/597592839.db2.gz IKOSSLLBXNKLRT-SQNIBIBYSA-N 2 1 331.460 1.512 20 0 EDADMP c1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c(C2CC2)c[nH+]1 ZINC000882987080 597608146 /nfs/dbraw/zinc/60/81/46/597608146.db2.gz RVOBLXDKCCPFIZ-QGZVFWFLSA-N 2 1 330.476 1.589 20 0 EDADMP O[C@@H](C[NH+]1CC[C@@H]2CSC[C@@H]2C1)C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879562763 597633458 /nfs/dbraw/zinc/63/34/58/597633458.db2.gz LNOQPVVDTQNJOS-JGAFCMAOSA-N 2 1 342.574 1.717 20 0 EDADMP O[C@H](C[NH+]1CC[C@H]2CSC[C@H]2C1)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879562763 597633461 /nfs/dbraw/zinc/63/34/61/597633461.db2.gz LNOQPVVDTQNJOS-JGAFCMAOSA-N 2 1 342.574 1.717 20 0 EDADMP O[C@H](C[NH+]1CC[C@H]2CSC[C@H]2C1)C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879562763 597633464 /nfs/dbraw/zinc/63/34/64/597633464.db2.gz LNOQPVVDTQNJOS-JGAFCMAOSA-N 2 1 342.574 1.717 20 0 EDADMP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC2CC[NH+](C)CC2)no1 ZINC000879684308 597685148 /nfs/dbraw/zinc/68/51/48/597685148.db2.gz VZMDXWGVGZHKPW-VHRNVKJDSA-N 2 1 347.463 1.299 20 0 EDADMP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC2CC[NH+](C)CC2)no1 ZINC000879684308 597685150 /nfs/dbraw/zinc/68/51/50/597685150.db2.gz VZMDXWGVGZHKPW-VHRNVKJDSA-N 2 1 347.463 1.299 20 0 EDADMP CC(C)C[N@@H+](C[C@@H](O)CC1(O)CCOCC1)CC1CC[NH+](C)CC1 ZINC000879705659 597696009 /nfs/dbraw/zinc/69/60/09/597696009.db2.gz QLUZSIVVGLPBKJ-SFHVURJKSA-N 2 1 342.524 1.579 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883416497 597739285 /nfs/dbraw/zinc/73/92/85/597739285.db2.gz WHPTWKXKTHYULA-LSDHHAIUSA-N 2 1 329.448 1.538 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883423323 597742031 /nfs/dbraw/zinc/74/20/31/597742031.db2.gz IQVGPQHINSERBQ-DOTOQJQBSA-N 2 1 331.464 1.786 20 0 EDADMP O=C(CC[N@@H+]1CC[NH2+]CCC12CCC2)NC(=O)NCc1ccccc1 ZINC000883457703 597755944 /nfs/dbraw/zinc/75/59/44/597755944.db2.gz KWRXUFIUERYNOV-UHFFFAOYSA-N 2 1 344.459 1.621 20 0 EDADMP [NH3+][C@@H](CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000883586798 597815153 /nfs/dbraw/zinc/81/51/53/597815153.db2.gz SQQCKFYVCHZYNG-MSOLQXFVSA-N 2 1 343.475 1.830 20 0 EDADMP COCC[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)CC1CC[NH+](C)CC1 ZINC000879127308 597827820 /nfs/dbraw/zinc/82/78/20/597827820.db2.gz VGAPSZXVNWPJGY-HDICACEKSA-N 2 1 325.497 1.140 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)COC[C@H]2CCCO2)CCN1c1cc[nH+]cc1 ZINC000880260500 597886531 /nfs/dbraw/zinc/88/65/31/597886531.db2.gz DBOHNVSKJOPFGZ-BPQIPLTHSA-N 2 1 335.448 1.149 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000883901176 597937484 /nfs/dbraw/zinc/93/74/84/597937484.db2.gz YYHBGEVYPKDERH-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882378731 597951073 /nfs/dbraw/zinc/95/10/73/597951073.db2.gz HMEHJLXYMVPXAZ-SFHVURJKSA-N 2 1 345.487 1.614 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](CCO)Cc2ccc(OC)cc2)CC1 ZINC000880570692 597967212 /nfs/dbraw/zinc/96/72/12/597967212.db2.gz YRCAZEQMXUKWJW-UHFFFAOYSA-N 2 1 349.475 1.090 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCO)Cc2ccc(OC)cc2)CC1 ZINC000880570692 597967214 /nfs/dbraw/zinc/96/72/14/597967214.db2.gz YRCAZEQMXUKWJW-UHFFFAOYSA-N 2 1 349.475 1.090 20 0 EDADMP COCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000884186044 598018389 /nfs/dbraw/zinc/01/83/89/598018389.db2.gz OPIJNPSBKVPGEF-YJBOKZPZSA-N 2 1 333.476 1.899 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884195255 598022989 /nfs/dbraw/zinc/02/29/89/598022989.db2.gz HHXPQPBHFIIIRA-AWEZNQCLSA-N 2 1 342.447 1.062 20 0 EDADMP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ncoc2C[NH3+])C1 ZINC000884406281 598095705 /nfs/dbraw/zinc/09/57/05/598095705.db2.gz PVRUKDWSUMEOGI-OAHLLOKOSA-N 2 1 328.416 1.522 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ncoc2C[NH3+])C1 ZINC000884406281 598095708 /nfs/dbraw/zinc/09/57/08/598095708.db2.gz PVRUKDWSUMEOGI-OAHLLOKOSA-N 2 1 328.416 1.522 20 0 EDADMP c1cc(-c2nn[nH]n2)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000738411382 599453076 /nfs/dbraw/zinc/45/30/76/599453076.db2.gz CFXSOXUOYVFGEC-HNNXBMFYSA-N 2 1 342.447 1.457 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000914150607 695159603 /nfs/dbraw/zinc/15/96/03/695159603.db2.gz PLJKIWFUJHBDNX-WCVJEAGWSA-N 2 1 338.521 1.492 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914150607 695159604 /nfs/dbraw/zinc/15/96/04/695159604.db2.gz PLJKIWFUJHBDNX-WCVJEAGWSA-N 2 1 338.521 1.492 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914150607 695159606 /nfs/dbraw/zinc/15/96/06/695159606.db2.gz PLJKIWFUJHBDNX-WCVJEAGWSA-N 2 1 338.521 1.492 20 0 EDADMP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC000992777027 695317485 /nfs/dbraw/zinc/31/74/85/695317485.db2.gz XHVHWTOBBNCRHY-BZUAXINKSA-N 2 1 330.476 1.999 20 0 EDADMP CCO[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000914334756 695359817 /nfs/dbraw/zinc/35/98/17/695359817.db2.gz DRKTVUGMPOBXDB-HZPDHXFCSA-N 2 1 342.528 1.763 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)CC1 ZINC000914398213 695386105 /nfs/dbraw/zinc/38/61/05/695386105.db2.gz ZQAWOKFVHYCXTK-QGZVFWFLSA-N 2 1 340.512 1.469 20 0 EDADMP CO[C@@H](C[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001031052615 695392197 /nfs/dbraw/zinc/39/21/97/695392197.db2.gz MCCGHQXCJIGYLQ-SFHVURJKSA-N 2 1 337.508 1.724 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC2(CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001040773944 695688991 /nfs/dbraw/zinc/68/89/91/695688991.db2.gz FYPIHCGWFSWKOQ-INIZCTEOSA-N 2 1 334.464 1.541 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001031260021 696066591 /nfs/dbraw/zinc/06/65/91/696066591.db2.gz JNLKFMMZWOZQHB-UONOGXRCSA-N 2 1 329.435 1.954 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001031260021 696066594 /nfs/dbraw/zinc/06/65/94/696066594.db2.gz JNLKFMMZWOZQHB-UONOGXRCSA-N 2 1 329.435 1.954 20 0 EDADMP Cc1nccnc1C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993758971 696352030 /nfs/dbraw/zinc/35/20/30/696352030.db2.gz JULDVEHCCZEXMD-NVXWUHKLSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993758971 696352033 /nfs/dbraw/zinc/35/20/33/696352033.db2.gz JULDVEHCCZEXMD-NVXWUHKLSA-N 2 1 345.491 1.596 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000940007970 700109268 /nfs/dbraw/zinc/10/92/68/700109268.db2.gz BUARQZSJVSPLOB-CQSZACIVSA-N 2 1 348.495 1.493 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000917141270 696953298 /nfs/dbraw/zinc/95/32/98/696953298.db2.gz AAOKOXDVZNSFQE-WBVHZDCISA-N 2 1 343.537 1.512 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCC2CCOCC2)C1 ZINC001031439247 697109892 /nfs/dbraw/zinc/10/98/92/697109892.db2.gz FGHLJXSPOSEQOR-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCC2CCOCC2)C1 ZINC001031439247 697109895 /nfs/dbraw/zinc/10/98/95/697109895.db2.gz FGHLJXSPOSEQOR-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1nc(CN2CCC(CNC(=O)NC[C@H]3CC[N@@H+]3C)CC2)oc1C ZINC000918061176 697127610 /nfs/dbraw/zinc/12/76/10/697127610.db2.gz NHERHNPNIPNTHS-MRXNPFEDSA-N 2 1 349.479 1.507 20 0 EDADMP CC1([NH+]2CCC2)CCC(NC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000918216605 697143830 /nfs/dbraw/zinc/14/38/30/697143830.db2.gz MWUSYCOLCWDNEG-UHFFFAOYSA-N 2 1 340.537 1.741 20 0 EDADMP CC(C)c1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001031594700 697294410 /nfs/dbraw/zinc/29/44/10/697294410.db2.gz ILKRSOVUQLIGAC-LJQANCHMSA-N 2 1 345.487 1.689 20 0 EDADMP CC(C)c1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001031594700 697294411 /nfs/dbraw/zinc/29/44/11/697294411.db2.gz ILKRSOVUQLIGAC-LJQANCHMSA-N 2 1 345.487 1.689 20 0 EDADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1)[NH+]1CC[C@H](C(F)F)C1 ZINC000930126562 697423253 /nfs/dbraw/zinc/42/32/53/697423253.db2.gz KKLJGFLISONFNV-UTUOFQBUSA-N 2 1 339.377 1.665 20 0 EDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C(F)F)C1)[NH+]1CC[C@H](C(F)F)C1 ZINC000930126562 697423254 /nfs/dbraw/zinc/42/32/54/697423254.db2.gz KKLJGFLISONFNV-UTUOFQBUSA-N 2 1 339.377 1.665 20 0 EDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C(F)F)C1)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000930126562 697423256 /nfs/dbraw/zinc/42/32/56/697423256.db2.gz KKLJGFLISONFNV-UTUOFQBUSA-N 2 1 339.377 1.665 20 0 EDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C(F)F)C1)[N@H+]1CC[C@H](C(F)F)C1 ZINC000930126562 697423258 /nfs/dbraw/zinc/42/32/58/697423258.db2.gz KKLJGFLISONFNV-UTUOFQBUSA-N 2 1 339.377 1.665 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665918 697446592 /nfs/dbraw/zinc/44/65/92/697446592.db2.gz JBLFDWFNVKLOGD-GOSISDBHSA-N 2 1 330.476 1.811 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031665918 697446594 /nfs/dbraw/zinc/44/65/94/697446594.db2.gz JBLFDWFNVKLOGD-GOSISDBHSA-N 2 1 330.476 1.811 20 0 EDADMP O=C(NCC1C[NH+](CC2CC(F)(F)C2)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031669448 697464477 /nfs/dbraw/zinc/46/44/77/697464477.db2.gz KHPWVKAZTCWFQW-CVEARBPZSA-N 2 1 341.446 1.954 20 0 EDADMP C[NH+](C)CC[C@@H](NS(=O)(=O)CC1([NH+](C)C)CC1)c1cccnc1 ZINC000921479054 697630735 /nfs/dbraw/zinc/63/07/35/697630735.db2.gz AJFLXPZIRVKASG-OAHLLOKOSA-N 2 1 340.493 1.088 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccccn3)C2)C1 ZINC001031729316 698051342 /nfs/dbraw/zinc/05/13/42/698051342.db2.gz JWACHNSHRWILQY-KRWDZBQOSA-N 2 1 330.476 1.608 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccccn3)C2)C1 ZINC001031729316 698051347 /nfs/dbraw/zinc/05/13/47/698051347.db2.gz JWACHNSHRWILQY-KRWDZBQOSA-N 2 1 330.476 1.608 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cncn2C)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943334170 698150999 /nfs/dbraw/zinc/15/09/99/698150999.db2.gz LZXDWJNQDSLCFZ-CRAIPNDOSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)CC[NH+]1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001032079366 698265694 /nfs/dbraw/zinc/26/56/94/698265694.db2.gz WNUQRPIBSBPHJK-UHFFFAOYSA-N 2 1 327.432 1.975 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnc(C)o2)C1 ZINC000995039911 700219335 /nfs/dbraw/zinc/21/93/35/700219335.db2.gz UNIRULBUXPPEPV-LSDHHAIUSA-N 2 1 331.420 1.563 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947881852 699013775 /nfs/dbraw/zinc/01/37/75/699013775.db2.gz KBRGPADWPIUEDA-WBVHZDCISA-N 2 1 325.497 1.722 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)n1 ZINC000939128487 699206790 /nfs/dbraw/zinc/20/67/90/699206790.db2.gz KZRRSKUTBRDWHT-GDBMZVCRSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)n1 ZINC000939128487 699206792 /nfs/dbraw/zinc/20/67/92/699206792.db2.gz KZRRSKUTBRDWHT-GDBMZVCRSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939128494 699207268 /nfs/dbraw/zinc/20/72/68/699207268.db2.gz LATGJSPVOCHXNG-WFASDCNBSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939128494 699207271 /nfs/dbraw/zinc/20/72/71/699207271.db2.gz LATGJSPVOCHXNG-WFASDCNBSA-N 2 1 335.452 1.046 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cncn1C ZINC000939128755 699207453 /nfs/dbraw/zinc/20/74/53/699207453.db2.gz PBKBQNNSKYCDSQ-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)on1 ZINC000939128704 699207509 /nfs/dbraw/zinc/20/75/09/699207509.db2.gz OEWXCZGWWCTEPU-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939137101 699224015 /nfs/dbraw/zinc/22/40/15/699224015.db2.gz FGYIMZWDASHAAE-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1c(C(=O)NCC2C[NH+](Cc3cccnc3)C2)ccc2c[nH+]cn21 ZINC001031800339 699317261 /nfs/dbraw/zinc/31/72/61/699317261.db2.gz LXJVVWMOYYYXNF-UHFFFAOYSA-N 2 1 335.411 1.900 20 0 EDADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000939235417 699403303 /nfs/dbraw/zinc/40/33/03/699403303.db2.gz KCGORDPCUAHFDC-XJKSGUPXSA-N 2 1 345.447 1.940 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000069575383 699713018 /nfs/dbraw/zinc/71/30/18/699713018.db2.gz QUTHXCDZWVIXCM-UHFFFAOYSA-N 2 1 347.507 1.458 20 0 EDADMP CCc1nocc1CN[C@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C ZINC000939622896 699759943 /nfs/dbraw/zinc/75/99/43/699759943.db2.gz PFWHODDCOINMJJ-BZNIZROVSA-N 2 1 331.420 1.448 20 0 EDADMP CCCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939754358 699904532 /nfs/dbraw/zinc/90/45/32/699904532.db2.gz MTILFCOTBHRJAH-GDBMZVCRSA-N 2 1 348.495 1.029 20 0 EDADMP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1ncccn1 ZINC000939808133 699956983 /nfs/dbraw/zinc/95/69/83/699956983.db2.gz BXZSIVDICWZQPW-JKSUJKDBSA-N 2 1 331.464 1.289 20 0 EDADMP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000940154298 700284633 /nfs/dbraw/zinc/28/46/33/700284633.db2.gz UXAWYFNNRMZPLS-UHFFFAOYSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000940159351 700291822 /nfs/dbraw/zinc/29/18/22/700291822.db2.gz HEIQHJVFTXCJHO-HNNXBMFYSA-N 2 1 349.479 1.723 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cn2c3ccccc3oc2=O)C1 ZINC000083114160 700406014 /nfs/dbraw/zinc/40/60/14/700406014.db2.gz HXLWUKRSCODYTE-OAHLLOKOSA-N 2 1 333.432 1.985 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cn2c3ccccc3oc2=O)C1 ZINC000083114160 700406018 /nfs/dbraw/zinc/40/60/18/700406018.db2.gz HXLWUKRSCODYTE-OAHLLOKOSA-N 2 1 333.432 1.985 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC000940327623 700504661 /nfs/dbraw/zinc/50/46/61/700504661.db2.gz LHCVLMKGQWQWNU-PBHICJAKSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3ccn(C)n3)CC2)C1 ZINC000940327931 700505097 /nfs/dbraw/zinc/50/50/97/700505097.db2.gz AARHGECQBLOBFQ-OAHLLOKOSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)co1 ZINC000940327941 700505287 /nfs/dbraw/zinc/50/52/87/700505287.db2.gz AFXIZCCNASFPGG-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC000940329499 700508945 /nfs/dbraw/zinc/50/89/45/700508945.db2.gz UTYMLQLFZVOXJJ-DLBZAZTESA-N 2 1 337.508 1.726 20 0 EDADMP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000940329699 700509731 /nfs/dbraw/zinc/50/97/31/700509731.db2.gz XNBDAALRBXMVCQ-CQSZACIVSA-N 2 1 334.464 1.796 20 0 EDADMP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1)[NH+](C)C ZINC000940333933 700513623 /nfs/dbraw/zinc/51/36/23/700513623.db2.gz BWHSMJIQACPPHM-ZDUSSCGKSA-N 2 1 325.482 1.349 20 0 EDADMP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940426179 700619595 /nfs/dbraw/zinc/61/95/95/700619595.db2.gz IHHUUQYFMUPLQR-MRXNPFEDSA-N 2 1 345.491 1.598 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnnn2C)CC1 ZINC000940472672 700658141 /nfs/dbraw/zinc/65/81/41/700658141.db2.gz OYGHKPUZFNUSSK-MRXNPFEDSA-N 2 1 348.495 1.160 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736782 700877967 /nfs/dbraw/zinc/87/79/67/700877967.db2.gz JQTYJPKXGLIXNA-HOTGVXAUSA-N 2 1 325.497 1.722 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736782 700877969 /nfs/dbraw/zinc/87/79/69/700877969.db2.gz JQTYJPKXGLIXNA-HOTGVXAUSA-N 2 1 325.497 1.722 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940736782 700877971 /nfs/dbraw/zinc/87/79/71/700877971.db2.gz JQTYJPKXGLIXNA-HOTGVXAUSA-N 2 1 325.497 1.722 20 0 EDADMP Cn1ccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000995099860 700886244 /nfs/dbraw/zinc/88/62/44/700886244.db2.gz ARDREPQIESWRRV-HZPDHXFCSA-N 2 1 347.507 1.527 20 0 EDADMP Cn1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC000995100965 700890397 /nfs/dbraw/zinc/89/03/97/700890397.db2.gz DUBOHDSZMXNJKQ-HOTGVXAUSA-N 2 1 347.507 1.527 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCn3cccn3)CC2(C)C)CC[N@H+]1C ZINC000940756684 700892034 /nfs/dbraw/zinc/89/20/34/700892034.db2.gz FZDZIOYCDCPNQV-ZACQAIPSSA-N 2 1 347.507 1.440 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCn3cccn3)CC2(C)C)CC[NH+]1C ZINC000940756684 700892036 /nfs/dbraw/zinc/89/20/36/700892036.db2.gz FZDZIOYCDCPNQV-ZACQAIPSSA-N 2 1 347.507 1.440 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)CC2(C)C)CC[NH+]1C ZINC000940756684 700892038 /nfs/dbraw/zinc/89/20/38/700892038.db2.gz FZDZIOYCDCPNQV-ZACQAIPSSA-N 2 1 347.507 1.440 20 0 EDADMP Cn1cncc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000995110854 700988247 /nfs/dbraw/zinc/98/82/47/700988247.db2.gz ZJFLQKZXNDSBEU-JKSUJKDBSA-N 2 1 347.507 1.527 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC3CC3)CC2(C)C)C1 ZINC000940972455 701014688 /nfs/dbraw/zinc/01/46/88/701014688.db2.gz MVFMKZUZDYDCAV-SJORKVTESA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC3CC3)CC2(C)C)C1 ZINC000940972455 701014689 /nfs/dbraw/zinc/01/46/89/701014689.db2.gz MVFMKZUZDYDCAV-SJORKVTESA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CC3)CC2(C)C)C1 ZINC000940972455 701014690 /nfs/dbraw/zinc/01/46/90/701014690.db2.gz MVFMKZUZDYDCAV-SJORKVTESA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CC3)CC2(C)C)C1 ZINC000940972455 701014691 /nfs/dbraw/zinc/01/46/91/701014691.db2.gz MVFMKZUZDYDCAV-SJORKVTESA-N 2 1 337.508 1.722 20 0 EDADMP CC1(C)C[N@@H+](CC[C@@H]2CCCO2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166010 701377001 /nfs/dbraw/zinc/37/70/01/701377001.db2.gz DCPGTUXQIBZJLN-DLBZAZTESA-N 2 1 349.519 1.868 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1)OC ZINC000941167069 701378004 /nfs/dbraw/zinc/37/80/04/701378004.db2.gz QANBRQRQQNOSGC-JKSUJKDBSA-N 2 1 337.508 1.724 20 0 EDADMP CC[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1)OC ZINC001031931280 701379021 /nfs/dbraw/zinc/37/90/21/701379021.db2.gz HXWKRDITFXMTGI-WBVHZDCISA-N 2 1 334.464 1.227 20 0 EDADMP CC1(C)C[N@@H+](C[C@H]2CCCCO2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941215116 701401347 /nfs/dbraw/zinc/40/13/47/701401347.db2.gz LRAAUGAYSXMICH-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cncs3)CC2(C)C)C1 ZINC000941215797 701402359 /nfs/dbraw/zinc/40/23/59/701402359.db2.gz BATUCLMEKHSOCY-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cncs3)CC2(C)C)C1 ZINC000941215797 701402360 /nfs/dbraw/zinc/40/23/60/701402360.db2.gz BATUCLMEKHSOCY-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cncs3)CC2(C)C)C1 ZINC000941215797 701402362 /nfs/dbraw/zinc/40/23/62/701402362.db2.gz BATUCLMEKHSOCY-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)cn1 ZINC000941217435 701403669 /nfs/dbraw/zinc/40/36/69/701403669.db2.gz OUCFHAAEZDBREV-IAGOWNOFSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)cn1 ZINC000941217435 701403670 /nfs/dbraw/zinc/40/36/70/701403670.db2.gz OUCFHAAEZDBREV-IAGOWNOFSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941217435 701403672 /nfs/dbraw/zinc/40/36/72/701403672.db2.gz OUCFHAAEZDBREV-IAGOWNOFSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941217435 701403674 /nfs/dbraw/zinc/40/36/74/701403674.db2.gz OUCFHAAEZDBREV-IAGOWNOFSA-N 2 1 345.491 1.453 20 0 EDADMP Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217458 701403777 /nfs/dbraw/zinc/40/37/77/701403777.db2.gz PMRFAKKIRLCYBR-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP Cn1cncc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941217458 701403779 /nfs/dbraw/zinc/40/37/79/701403779.db2.gz PMRFAKKIRLCYBR-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP Cn1cncc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217458 701403780 /nfs/dbraw/zinc/40/37/80/701403780.db2.gz PMRFAKKIRLCYBR-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC000999169893 706599085 /nfs/dbraw/zinc/59/90/85/706599085.db2.gz WRTGCPYGCLKVRQ-LEOMRAHMSA-N 2 1 346.475 1.936 20 0 EDADMP C[C@H](F)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518407 706602398 /nfs/dbraw/zinc/60/23/98/706602398.db2.gz UBLXQTCWHMZMFT-MWDXBVQZSA-N 2 1 325.472 1.999 20 0 EDADMP C[C@H](F)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518407 706602400 /nfs/dbraw/zinc/60/24/00/706602400.db2.gz UBLXQTCWHMZMFT-MWDXBVQZSA-N 2 1 325.472 1.999 20 0 EDADMP C[C@H](F)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946518407 706602404 /nfs/dbraw/zinc/60/24/04/706602404.db2.gz UBLXQTCWHMZMFT-MWDXBVQZSA-N 2 1 325.472 1.999 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)o1 ZINC001032128412 701785163 /nfs/dbraw/zinc/78/51/63/701785163.db2.gz CSJYDMARZBIAMZ-SJORKVTESA-N 2 1 348.491 1.960 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccc2Cl)C1)C12CC[NH+](CC1)C2 ZINC001032130375 701841216 /nfs/dbraw/zinc/84/12/16/701841216.db2.gz NHOTYFDTQGZMTF-UHFFFAOYSA-N 2 1 333.863 1.984 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCOC1 ZINC001032658116 706625811 /nfs/dbraw/zinc/62/58/11/706625811.db2.gz OQWQYGHXRHWUEG-IKGGRYGDSA-N 2 1 346.475 1.718 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCOC1 ZINC001032658116 706625814 /nfs/dbraw/zinc/62/58/14/706625814.db2.gz OQWQYGHXRHWUEG-IKGGRYGDSA-N 2 1 346.475 1.718 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(CF)cc2)C1 ZINC001031977671 702030258 /nfs/dbraw/zinc/03/02/58/702030258.db2.gz FXQCBGYIEWTTOL-KDOFPFPSSA-N 2 1 333.451 1.902 20 0 EDADMP CC(C)=CC[NH+]1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001031979465 702072829 /nfs/dbraw/zinc/07/28/29/702072829.db2.gz WUMSCFUOGKAFMW-UHFFFAOYSA-N 2 1 332.448 1.898 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)CC[N@H+]1C ZINC000995830069 702104593 /nfs/dbraw/zinc/10/45/93/702104593.db2.gz FEGHAOMGSINLRM-OIISXLGYSA-N 2 1 347.507 1.129 20 0 EDADMP CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(N2CCOCC2)CCCC1 ZINC001032660465 706642328 /nfs/dbraw/zinc/64/23/28/706642328.db2.gz JSVLPPFEVQIKFP-IRXDYDNUSA-N 2 1 335.492 1.573 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3nnc(C)o3)C(C)(C)C2)CC[N@H+]1C ZINC000995841134 702121748 /nfs/dbraw/zinc/12/17/48/702121748.db2.gz PLNIQLLPVAKLGB-ZNMIVQPWSA-N 2 1 349.479 1.435 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001032206062 702127422 /nfs/dbraw/zinc/12/74/22/702127422.db2.gz QREAJFPBXZXQDM-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000995868229 702150993 /nfs/dbraw/zinc/15/09/93/702150993.db2.gz BQAYUBLQNMLJOR-HUUCEWRRSA-N 2 1 335.452 1.271 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000995868229 702150995 /nfs/dbraw/zinc/15/09/95/702150995.db2.gz BQAYUBLQNMLJOR-HUUCEWRRSA-N 2 1 335.452 1.271 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000995879802 702187439 /nfs/dbraw/zinc/18/74/39/702187439.db2.gz IDODUAJUYLZAPT-HZPDHXFCSA-N 2 1 345.491 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000995879802 702187444 /nfs/dbraw/zinc/18/74/44/702187444.db2.gz IDODUAJUYLZAPT-HZPDHXFCSA-N 2 1 345.491 1.678 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnccc2C)C1 ZINC000995192472 702307151 /nfs/dbraw/zinc/30/71/51/702307151.db2.gz CHPBLMXLLCAFQN-SJLPKXTDSA-N 2 1 341.459 1.970 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995193022 702350285 /nfs/dbraw/zinc/35/02/85/702350285.db2.gz CYARHZZFGROWDJ-HOCLYGCPSA-N 2 1 345.422 1.800 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnnn3CC)C2)CC[N@H+]1C ZINC000999208472 706661662 /nfs/dbraw/zinc/66/16/62/706661662.db2.gz NIRYILKTVVPYLK-HYVNUMGLSA-N 2 1 348.495 1.109 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnn(CC)n3)C2)CC[N@@H+]1C ZINC000999209467 706661898 /nfs/dbraw/zinc/66/18/98/706661898.db2.gz QBDWFPPTGVDZEW-HYVNUMGLSA-N 2 1 348.495 1.109 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnn(CC)n3)C2)CC[N@H+]1C ZINC000999209467 706661901 /nfs/dbraw/zinc/66/19/01/706661901.db2.gz QBDWFPPTGVDZEW-HYVNUMGLSA-N 2 1 348.495 1.109 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccnc2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944153627 702442149 /nfs/dbraw/zinc/44/21/49/702442149.db2.gz IKBIMOPDWLFMKB-RDJZCZTQSA-N 2 1 328.460 1.504 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999230897 706679029 /nfs/dbraw/zinc/67/90/29/706679029.db2.gz GADQWYDPUFCSOK-OPQOLIRYSA-N 2 1 331.460 1.393 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)ncn1 ZINC000996300929 702692512 /nfs/dbraw/zinc/69/25/12/702692512.db2.gz PFXAVQGYIMRBQU-NVXWUHKLSA-N 2 1 345.491 1.596 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000996300668 702692665 /nfs/dbraw/zinc/69/26/65/702692665.db2.gz OFWKHJQSBSSSGT-JSGCOSHPSA-N 2 1 337.493 1.349 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996302782 702694914 /nfs/dbraw/zinc/69/49/14/702694914.db2.gz ZGFQCHGYBOMIIR-HOCLYGCPSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996302782 702694915 /nfs/dbraw/zinc/69/49/15/702694915.db2.gz ZGFQCHGYBOMIIR-HOCLYGCPSA-N 2 1 334.464 1.794 20 0 EDADMP CC(C)c1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995213028 702707870 /nfs/dbraw/zinc/70/78/70/702707870.db2.gz PPEMUZYRZFLHRA-GJZGRUSLSA-N 2 1 349.479 1.663 20 0 EDADMP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)nn1C ZINC000995214706 702710787 /nfs/dbraw/zinc/71/07/87/702710787.db2.gz RYJSBYAGZJJLLV-JKSUJKDBSA-N 2 1 344.463 1.308 20 0 EDADMP C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996400561 702757165 /nfs/dbraw/zinc/75/71/65/702757165.db2.gz VXGZMDGAHDFEFO-CZUORRHYSA-N 2 1 344.463 1.349 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nncn2C)CC1 ZINC000996465129 702792363 /nfs/dbraw/zinc/79/23/63/702792363.db2.gz QMUHSGJQFIGOAP-ZBFHGGJFSA-N 2 1 348.495 1.330 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)on1 ZINC000996517705 702853050 /nfs/dbraw/zinc/85/30/50/702853050.db2.gz GNCPTTUXGCYOEC-HOCLYGCPSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)o1 ZINC000996518440 702854052 /nfs/dbraw/zinc/85/40/52/702854052.db2.gz FHGMXARZLDQKKQ-AWEZNQCLSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)nc1 ZINC000996520716 702856463 /nfs/dbraw/zinc/85/64/63/702856463.db2.gz UNRQDWRARGIHNM-CVEARBPZSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)nc1 ZINC000996520716 702856466 /nfs/dbraw/zinc/85/64/66/702856466.db2.gz UNRQDWRARGIHNM-CVEARBPZSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)oc1C ZINC000996522982 702858529 /nfs/dbraw/zinc/85/85/29/702858529.db2.gz ZYHXHCOAYAQNJH-HNNXBMFYSA-N 2 1 346.475 1.714 20 0 EDADMP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996606359 702909776 /nfs/dbraw/zinc/90/97/76/702909776.db2.gz GKMJSVILJQAZFN-RHSMWYFYSA-N 2 1 333.480 1.324 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC000996612510 702917733 /nfs/dbraw/zinc/91/77/33/702917733.db2.gz RGMKRKAEDGWBQJ-INIZCTEOSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000996609614 702920678 /nfs/dbraw/zinc/92/06/78/702920678.db2.gz VWIKYUGZFXHVLL-YWPYICTPSA-N 2 1 334.468 1.095 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)ccn1 ZINC000996617355 702924415 /nfs/dbraw/zinc/92/44/15/702924415.db2.gz UVAYZTJOSVKMBA-JKSUJKDBSA-N 2 1 346.475 1.369 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000996625095 702928976 /nfs/dbraw/zinc/92/89/76/702928976.db2.gz ZCQKSVJHFKPHDH-OALUTQOASA-N 2 1 347.503 1.931 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)[nH]1 ZINC000996657750 702954199 /nfs/dbraw/zinc/95/41/99/702954199.db2.gz HQJURXAQGPQUNS-OAHLLOKOSA-N 2 1 348.495 1.172 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996660701 702962913 /nfs/dbraw/zinc/96/29/13/702962913.db2.gz JATMLGFHMDVQAV-OAHLLOKOSA-N 2 1 337.493 1.493 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996660701 702962915 /nfs/dbraw/zinc/96/29/15/702962915.db2.gz JATMLGFHMDVQAV-OAHLLOKOSA-N 2 1 337.493 1.493 20 0 EDADMP Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996710823 703005370 /nfs/dbraw/zinc/00/53/70/703005370.db2.gz FXRKDUHCPXZAOD-CRAIPNDOSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996710823 703005374 /nfs/dbraw/zinc/00/53/74/703005374.db2.gz FXRKDUHCPXZAOD-CRAIPNDOSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCc2ccns2)C[C@@H]1C ZINC000942518103 703012368 /nfs/dbraw/zinc/01/23/68/703012368.db2.gz MCJOJYPBZGKIHL-XJKSGUPXSA-N 2 1 347.488 1.717 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCc2ccns2)C[C@@H]1C ZINC000942518103 703012371 /nfs/dbraw/zinc/01/23/71/703012371.db2.gz MCJOJYPBZGKIHL-XJKSGUPXSA-N 2 1 347.488 1.717 20 0 EDADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996721026 703016460 /nfs/dbraw/zinc/01/64/60/703016460.db2.gz WJQOQSREHWESQF-SJORKVTESA-N 2 1 332.448 1.772 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1)c1ncccn1 ZINC000996725120 703019613 /nfs/dbraw/zinc/01/96/13/703019613.db2.gz SAUHMMMFGICAAN-ZBFHGGJFSA-N 2 1 331.464 1.603 20 0 EDADMP Cn1nccc1CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000996726079 703021283 /nfs/dbraw/zinc/02/12/83/703021283.db2.gz WDNAZWQDIMLINN-QGZVFWFLSA-N 2 1 333.480 1.028 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000996761568 703049707 /nfs/dbraw/zinc/04/97/07/703049707.db2.gz HYENMBPTNTWHPH-KRWDZBQOSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000996803260 703093689 /nfs/dbraw/zinc/09/36/89/703093689.db2.gz UITSJHKVHWHASJ-JKSUJKDBSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598394 703113455 /nfs/dbraw/zinc/11/34/55/703113455.db2.gz WYBYWZUVICXZTA-FZKQIMNGSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@@H](C(F)(F)F)C1 ZINC000996842694 703129226 /nfs/dbraw/zinc/12/92/26/703129226.db2.gz CNFVMICOIKLBBM-KGLIPLIRSA-N 2 1 344.381 1.828 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)o1 ZINC000996854951 703133191 /nfs/dbraw/zinc/13/31/91/703133191.db2.gz DTNADFKYYKKVIC-KRWDZBQOSA-N 2 1 347.463 1.333 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942719462 703233922 /nfs/dbraw/zinc/23/39/22/703233922.db2.gz FWTVUGHHEBFFMZ-VQIMIIECSA-N 2 1 347.503 1.877 20 0 EDADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000996995416 703251989 /nfs/dbraw/zinc/25/19/89/703251989.db2.gz ONIULRVMZYWPID-ZDUSSCGKSA-N 2 1 347.463 1.512 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000996995416 703251990 /nfs/dbraw/zinc/25/19/90/703251990.db2.gz ONIULRVMZYWPID-ZDUSSCGKSA-N 2 1 347.463 1.512 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC000996998474 703255655 /nfs/dbraw/zinc/25/56/55/703255655.db2.gz KARKPYROXCZTSU-OLZOCXBDSA-N 2 1 335.452 1.504 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cs1 ZINC000997000459 703257171 /nfs/dbraw/zinc/25/71/71/703257171.db2.gz QDAIDSZSUFFJHX-BLLLJJGKSA-N 2 1 336.505 1.730 20 0 EDADMP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997004013 703260857 /nfs/dbraw/zinc/26/08/57/703260857.db2.gz BGZJEBTUDOMOTF-YOEHRIQHSA-N 2 1 346.475 1.369 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)cn1 ZINC000997004491 703261564 /nfs/dbraw/zinc/26/15/64/703261564.db2.gz DIZBZAFHDIVNMB-HOCLYGCPSA-N 2 1 345.491 1.768 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997006281 703263415 /nfs/dbraw/zinc/26/34/15/703263415.db2.gz FPJMMUICRKLTAL-SJKOYZFVSA-N 2 1 334.464 1.570 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1)c1csnn1 ZINC000997006217 703263450 /nfs/dbraw/zinc/26/34/50/703263450.db2.gz KINGJDSWQZJCNG-CHWSQXEVSA-N 2 1 337.493 1.522 20 0 EDADMP Cc1csc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997008015 703265497 /nfs/dbraw/zinc/26/54/97/703265497.db2.gz TZZUEQJPTZXXEC-CYBMUJFWSA-N 2 1 336.505 1.874 20 0 EDADMP CC(C)n1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1 ZINC000997008398 703266078 /nfs/dbraw/zinc/26/60/78/703266078.db2.gz LVZLHCQYBJULAH-WMLDXEAASA-N 2 1 348.495 1.137 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000997008472 703266328 /nfs/dbraw/zinc/26/63/28/703266328.db2.gz MMUDZBOUOAKFPX-DNVCBOLYSA-N 2 1 345.487 1.974 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997009344 703270146 /nfs/dbraw/zinc/27/01/46/703270146.db2.gz ZTCJGTAHLYSDGR-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC000997012560 703272131 /nfs/dbraw/zinc/27/21/31/703272131.db2.gz XUOUVWJRDCYBEE-DYVFJYSZSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)no1 ZINC000997058441 703303785 /nfs/dbraw/zinc/30/37/85/703303785.db2.gz QSSJTAPJGRBGFB-ZDUSSCGKSA-N 2 1 349.479 1.752 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997099444 703344503 /nfs/dbraw/zinc/34/45/03/703344503.db2.gz FQKBJTSYVUWEAJ-IIDMSEBBSA-N 2 1 347.507 1.477 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997181981 703466973 /nfs/dbraw/zinc/46/69/73/703466973.db2.gz FJNQQZIEUTZNGF-JSGCOSHPSA-N 2 1 334.468 1.097 20 0 EDADMP CCc1nc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000997185049 703473736 /nfs/dbraw/zinc/47/37/36/703473736.db2.gz OYOWQYLJCSYNOU-ZDUSSCGKSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1nc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000997185049 703473737 /nfs/dbraw/zinc/47/37/37/703473737.db2.gz OYOWQYLJCSYNOU-ZDUSSCGKSA-N 2 1 335.452 1.054 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997279946 703545684 /nfs/dbraw/zinc/54/56/84/703545684.db2.gz SCIKIDIOJMPTNB-CUSZFKRNSA-N 2 1 339.524 1.968 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000997361606 703595607 /nfs/dbraw/zinc/59/56/07/703595607.db2.gz WRTZAWBEWBIOMF-GASCZTMLSA-N 2 1 333.480 1.374 20 0 EDADMP Cc1nccnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997361119 703598435 /nfs/dbraw/zinc/59/84/35/703598435.db2.gz SSAJZRVWRVAHGQ-GASCZTMLSA-N 2 1 345.491 1.738 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnoc2C)CC1 ZINC000997366901 703600976 /nfs/dbraw/zinc/60/09/76/703600976.db2.gz PGNXIGBZDCBZGX-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2nccs2)CC1 ZINC000997390443 703657909 /nfs/dbraw/zinc/65/79/09/703657909.db2.gz QDBJKYTUSOEBMH-CQSZACIVSA-N 2 1 348.516 1.956 20 0 EDADMP CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997433195 703664073 /nfs/dbraw/zinc/66/40/73/703664073.db2.gz DFJFAQLOIHPTNW-NVXWUHKLSA-N 2 1 325.497 1.724 20 0 EDADMP CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997433195 703664075 /nfs/dbraw/zinc/66/40/75/703664075.db2.gz DFJFAQLOIHPTNW-NVXWUHKLSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997514600 703764553 /nfs/dbraw/zinc/76/45/53/703764553.db2.gz HBGWLPKYGQMHBJ-YOEHRIQHSA-N 2 1 333.480 1.231 20 0 EDADMP CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000997611486 703911188 /nfs/dbraw/zinc/91/11/88/703911188.db2.gz FWDXAWFDLZJGAX-KRWDZBQOSA-N 2 1 333.480 1.325 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082208 704138518 /nfs/dbraw/zinc/13/85/18/704138518.db2.gz PBJWNBGKPTXKJM-JKSUJKDBSA-N 2 1 348.516 1.826 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccccn3)C2)C1 ZINC000999294990 706792489 /nfs/dbraw/zinc/79/24/89/706792489.db2.gz DWROTXIRQFGCMQ-DAWZGUTISA-N 2 1 346.475 1.270 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccccn3)C2)C1 ZINC000999294990 706792492 /nfs/dbraw/zinc/79/24/92/706792492.db2.gz DWROTXIRQFGCMQ-DAWZGUTISA-N 2 1 346.475 1.270 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033083567 704142013 /nfs/dbraw/zinc/14/20/13/704142013.db2.gz YEMOFUATVMWOLG-RBUKOAKNSA-N 2 1 349.519 1.678 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cnns3)C2)CC[N@H+]1C ZINC000999295104 706792777 /nfs/dbraw/zinc/79/27/77/706792777.db2.gz YAWYAYMHDQNIJH-FEPKRQSRSA-N 2 1 337.493 1.347 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnoc2C)C1 ZINC000999301862 706805232 /nfs/dbraw/zinc/80/52/32/706805232.db2.gz DFHDUPUQTIYIKM-IAGOWNOFSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997724451 704620519 /nfs/dbraw/zinc/62/05/19/704620519.db2.gz OCQCOBIZZZHQCG-DOTOQJQBSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997724451 704620520 /nfs/dbraw/zinc/62/05/20/704620520.db2.gz OCQCOBIZZZHQCG-DOTOQJQBSA-N 2 1 325.497 1.722 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]C[C@H]2C[C@]23CCOC3)CC1)C1CCC1 ZINC000997831455 704749383 /nfs/dbraw/zinc/74/93/83/704749383.db2.gz SHYVLOPBMXVSBJ-XLIONFOSSA-N 2 1 349.519 1.726 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)o1 ZINC000997831124 704751386 /nfs/dbraw/zinc/75/13/86/704751386.db2.gz RBNGSSRUGOLRRF-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1)c1nncn1C ZINC000997865160 704772378 /nfs/dbraw/zinc/77/23/78/704772378.db2.gz LSPXVTMLLXVJIQ-GOEBONIOSA-N 2 1 348.495 1.189 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c(C)o1 ZINC000997868099 704773764 /nfs/dbraw/zinc/77/37/64/704773764.db2.gz RFRYGEXXOYAOAN-SUMWQHHRSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c(C)o1 ZINC000997868099 704773768 /nfs/dbraw/zinc/77/37/68/704773768.db2.gz RFRYGEXXOYAOAN-SUMWQHHRSA-N 2 1 348.491 1.960 20 0 EDADMP CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997869406 704774204 /nfs/dbraw/zinc/77/42/04/704774204.db2.gz DFJFAQLOIHPTNW-RDJZCZTQSA-N 2 1 325.497 1.724 20 0 EDADMP CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997869406 704774205 /nfs/dbraw/zinc/77/42/05/704774205.db2.gz DFJFAQLOIHPTNW-RDJZCZTQSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](CCc2ccns2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943351 704795800 /nfs/dbraw/zinc/79/58/00/704795800.db2.gz GXQSIFPIAOFQJQ-GDBMZVCRSA-N 2 1 336.505 1.608 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944943690 704796299 /nfs/dbraw/zinc/79/62/99/704796299.db2.gz JLHSUJGRUFMNKE-WMLDXEAASA-N 2 1 333.480 1.151 20 0 EDADMP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)[nH]1 ZINC000998004352 705165988 /nfs/dbraw/zinc/16/59/88/705165988.db2.gz JFTROHIYUSAUER-BBRMVZONSA-N 2 1 348.495 1.172 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC000998078265 705298873 /nfs/dbraw/zinc/29/88/73/705298873.db2.gz KQOYVRWKAIGVNZ-KDOFPFPSSA-N 2 1 345.491 1.311 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000998081247 705302637 /nfs/dbraw/zinc/30/26/37/705302637.db2.gz HUYDPYKHGKJYSY-HNNXBMFYSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000998137896 705402953 /nfs/dbraw/zinc/40/29/53/705402953.db2.gz BUBNUIQQMMSLPG-GOEBONIOSA-N 2 1 334.464 1.453 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CC(C)(C)CO2)CC1 ZINC001032602985 705421371 /nfs/dbraw/zinc/42/13/71/705421371.db2.gz JPNQAOZVXNUMQO-YESZJQIVSA-N 2 1 335.492 1.428 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](Cc2ccn(C)n2)CC1 ZINC000998187649 705491728 /nfs/dbraw/zinc/49/17/28/705491728.db2.gz FPJFSCHTFVMKHR-AEFFLSMTSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@@H+](Cc2ccn(C)n2)CC1 ZINC000998187649 705491729 /nfs/dbraw/zinc/49/17/29/705491729.db2.gz FPJFSCHTFVMKHR-AEFFLSMTSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](Cc2ccn(C)n2)CC1 ZINC000998187649 705491730 /nfs/dbraw/zinc/49/17/30/705491730.db2.gz FPJFSCHTFVMKHR-AEFFLSMTSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](Cc2ccn(C)n2)CC1 ZINC000998187649 705491731 /nfs/dbraw/zinc/49/17/31/705491731.db2.gz FPJFSCHTFVMKHR-AEFFLSMTSA-N 2 1 347.507 1.575 20 0 EDADMP Cc1csc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998268076 705640090 /nfs/dbraw/zinc/64/00/90/705640090.db2.gz ASIMUOLOPLCJBG-HNNXBMFYSA-N 2 1 336.505 1.731 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000998288428 705684522 /nfs/dbraw/zinc/68/45/22/705684522.db2.gz VLTIUQJZSNBMBL-GOSISDBHSA-N 2 1 347.507 1.623 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]C(C)C)C1 ZINC000998312314 705725647 /nfs/dbraw/zinc/72/56/47/705725647.db2.gz JKKWPTZHPZUKJQ-OLZOCXBDSA-N 2 1 332.370 1.969 20 0 EDADMP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC001032628107 705740432 /nfs/dbraw/zinc/74/04/32/705740432.db2.gz QIBMGUXJDWQUSF-WBAXXEDZSA-N 2 1 345.491 1.127 20 0 EDADMP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001032628107 705740436 /nfs/dbraw/zinc/74/04/36/705740436.db2.gz QIBMGUXJDWQUSF-WBAXXEDZSA-N 2 1 345.491 1.127 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@H](C)C2)n1 ZINC001032628107 705740440 /nfs/dbraw/zinc/74/04/40/705740440.db2.gz QIBMGUXJDWQUSF-WBAXXEDZSA-N 2 1 345.491 1.127 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@H](C)C2)n1 ZINC001032628107 705740441 /nfs/dbraw/zinc/74/04/41/705740441.db2.gz QIBMGUXJDWQUSF-WBAXXEDZSA-N 2 1 345.491 1.127 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H]3C[C@H]1C[N@@H+]3CC1CCC1)C2 ZINC001032628475 705744422 /nfs/dbraw/zinc/74/44/22/705744422.db2.gz CMEICAKILUUCTD-NJAFHUGGSA-N 2 1 328.460 1.839 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H]3C[C@H]1C[N@H+]3CC1CCC1)C2 ZINC001032628475 705744424 /nfs/dbraw/zinc/74/44/24/705744424.db2.gz CMEICAKILUUCTD-NJAFHUGGSA-N 2 1 328.460 1.839 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)c1ccccc1F)[NH+](C)C ZINC001032633535 705860417 /nfs/dbraw/zinc/86/04/17/705860417.db2.gz QQISZPWGKJYOLI-DFEHZGFQSA-N 2 1 349.450 1.484 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)c1ccccc1F)[NH+](C)C ZINC001032633535 705860420 /nfs/dbraw/zinc/86/04/20/705860420.db2.gz QQISZPWGKJYOLI-DFEHZGFQSA-N 2 1 349.450 1.484 20 0 EDADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000998554520 705989151 /nfs/dbraw/zinc/98/91/51/705989151.db2.gz YKEUWNITHNKDRH-LEOMRAHMSA-N 2 1 331.460 1.868 20 0 EDADMP Cc1nc(CC[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC000998553298 705991121 /nfs/dbraw/zinc/99/11/21/705991121.db2.gz VXIKXDBKUFGHIC-GPANFISMSA-N 2 1 336.505 1.667 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]CCc2ccccc2F)C1 ZINC000998587587 706026943 /nfs/dbraw/zinc/02/69/43/706026943.db2.gz WLMCXBIVZGCZMX-HTWSVDAQSA-N 2 1 349.450 1.278 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CCc2ccccc2F)C1 ZINC000998587587 706026946 /nfs/dbraw/zinc/02/69/46/706026946.db2.gz WLMCXBIVZGCZMX-HTWSVDAQSA-N 2 1 349.450 1.278 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)s1 ZINC000998721034 706147937 /nfs/dbraw/zinc/14/79/37/706147937.db2.gz KRAIBZBDCPRVCA-QWHCGFSZSA-N 2 1 337.493 1.275 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)s1 ZINC000998721034 706147938 /nfs/dbraw/zinc/14/79/38/706147938.db2.gz KRAIBZBDCPRVCA-QWHCGFSZSA-N 2 1 337.493 1.275 20 0 EDADMP COc1nscc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998730899 706163247 /nfs/dbraw/zinc/16/32/47/706163247.db2.gz LSTZKLJNHNJGSP-UONOGXRCSA-N 2 1 338.477 1.327 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998735044 706169045 /nfs/dbraw/zinc/16/90/45/706169045.db2.gz YKQNBFBTVJTVPO-ZWKOTPCHSA-N 2 1 347.507 1.947 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cnoc3C)C2)CC[N@H+]1C ZINC000998792083 706238775 /nfs/dbraw/zinc/23/87/75/706238775.db2.gz SABNVNFMINWIMV-SJJHQCBESA-N 2 1 334.464 1.792 20 0 EDADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000998797413 706244393 /nfs/dbraw/zinc/24/43/93/706244393.db2.gz SOJNBVUJDLOLFL-LHUBUQBQSA-N 2 1 346.475 1.509 20 0 EDADMP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000998797399 706244470 /nfs/dbraw/zinc/24/44/70/706244470.db2.gz RVQIEVGOYGFXJT-AGERRDQYSA-N 2 1 330.476 1.809 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)no1 ZINC000998981376 706400818 /nfs/dbraw/zinc/40/08/18/706400818.db2.gz TYKXBRYAOZTUBX-UHFFFAOYSA-N 2 1 346.475 1.938 20 0 EDADMP COc1nscc1C[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC000999127417 706529209 /nfs/dbraw/zinc/52/92/09/706529209.db2.gz QXBHSJLLOWUIBN-UHFFFAOYSA-N 2 1 349.460 1.436 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000999142856 706556223 /nfs/dbraw/zinc/55/62/23/706556223.db2.gz CNEYRQAZBKBAJM-IAGOWNOFSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000999142856 706556225 /nfs/dbraw/zinc/55/62/25/706556225.db2.gz CNEYRQAZBKBAJM-IAGOWNOFSA-N 2 1 345.491 1.738 20 0 EDADMP CCOC1CC(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000999373760 706868272 /nfs/dbraw/zinc/86/82/72/706868272.db2.gz HTHDVNFWJOQPTL-PQUAAJSLSA-N 2 1 337.508 1.866 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000999400383 706895170 /nfs/dbraw/zinc/89/51/70/706895170.db2.gz KUCBYKOXDBYHEE-RDJZCZTQSA-N 2 1 348.495 1.253 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC000999400383 706895171 /nfs/dbraw/zinc/89/51/71/706895171.db2.gz KUCBYKOXDBYHEE-RDJZCZTQSA-N 2 1 348.495 1.253 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999401650 706909490 /nfs/dbraw/zinc/90/94/90/706909490.db2.gz PNMJNNBPVWLXHU-DLBZAZTESA-N 2 1 347.507 1.858 20 0 EDADMP CCc1nc(CNC2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)no1 ZINC000999402532 706910661 /nfs/dbraw/zinc/91/06/61/706910661.db2.gz GKZZXHHYMABRDQ-UHFFFAOYSA-N 2 1 349.479 1.443 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC([NH2+]CCF)C1 ZINC000999445978 706966351 /nfs/dbraw/zinc/96/63/51/706966351.db2.gz SAAJYPULFYUHNG-HIEASXQVSA-N 2 1 333.451 1.880 20 0 EDADMP CCc1nc(NC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc(C)[nH+]1 ZINC001060879628 706987639 /nfs/dbraw/zinc/98/76/39/706987639.db2.gz JMUQFEQROOALQA-GJZGRUSLSA-N 2 1 331.464 1.560 20 0 EDADMP CCc1nc(NC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc(C)[nH+]1 ZINC001060879628 706987642 /nfs/dbraw/zinc/98/76/42/706987642.db2.gz JMUQFEQROOALQA-GJZGRUSLSA-N 2 1 331.464 1.560 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999505086 707002390 /nfs/dbraw/zinc/00/23/90/707002390.db2.gz HJJKTQFPPNKEIQ-ABHNRTSZSA-N 2 1 347.507 1.762 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC000999510177 707008380 /nfs/dbraw/zinc/00/83/80/707008380.db2.gz VSBNNEFZBPJHQZ-UHFFFAOYSA-N 2 1 335.452 1.189 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nnc3n2CCCC3)C1)[NH+](C)C ZINC000999491391 707027656 /nfs/dbraw/zinc/02/76/56/707027656.db2.gz UQFNTVYVOIQZDH-LSDHHAIUSA-N 2 1 348.495 1.035 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000999573990 707080364 /nfs/dbraw/zinc/08/03/64/707080364.db2.gz LPQMZHAMIDRWAI-WBVHZDCISA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000999573990 707080365 /nfs/dbraw/zinc/08/03/65/707080365.db2.gz LPQMZHAMIDRWAI-WBVHZDCISA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000999575918 707083108 /nfs/dbraw/zinc/08/31/08/707083108.db2.gz RFKALEJJSZBNJD-RDJZCZTQSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000999575918 707083111 /nfs/dbraw/zinc/08/31/11/707083111.db2.gz RFKALEJJSZBNJD-RDJZCZTQSA-N 2 1 348.495 1.016 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000999681364 707165917 /nfs/dbraw/zinc/16/59/17/707165917.db2.gz FGKQFQDTMKXBAK-NVPAJSRCSA-N 2 1 334.439 1.642 20 0 EDADMP Cc1ccnc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000999682184 707167836 /nfs/dbraw/zinc/16/78/36/707167836.db2.gz MIEZJENVLXLJMS-FHERZECASA-N 2 1 331.464 1.206 20 0 EDADMP Cc1ccnc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999682184 707167837 /nfs/dbraw/zinc/16/78/37/707167837.db2.gz MIEZJENVLXLJMS-FHERZECASA-N 2 1 331.464 1.206 20 0 EDADMP CCc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000999725436 707267249 /nfs/dbraw/zinc/26/72/49/707267249.db2.gz LZDISMACHWHMBA-OAHLLOKOSA-N 2 1 345.447 1.831 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001033264262 707285407 /nfs/dbraw/zinc/28/54/07/707285407.db2.gz BNWYAWFYRNFAEX-GOSISDBHSA-N 2 1 348.491 1.931 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC001033264262 707285413 /nfs/dbraw/zinc/28/54/13/707285413.db2.gz BNWYAWFYRNFAEX-GOSISDBHSA-N 2 1 348.491 1.931 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033184899 707366930 /nfs/dbraw/zinc/36/69/30/707366930.db2.gz LRAJGWOEBQEQAQ-ZTFGCOKTSA-N 2 1 346.475 1.142 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]Cc2cnc(C)o2)C[C@@H]1C ZINC001044679760 707395305 /nfs/dbraw/zinc/39/53/05/707395305.db2.gz BNALILMJEWFTMX-WFASDCNBSA-N 2 1 331.420 1.657 20 0 EDADMP Cc1ncsc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033197574 707416990 /nfs/dbraw/zinc/41/69/90/707416990.db2.gz INRKRAHYGQKFJU-LSDHHAIUSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033197574 707416993 /nfs/dbraw/zinc/41/69/93/707416993.db2.gz INRKRAHYGQKFJU-LSDHHAIUSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033197574 707416996 /nfs/dbraw/zinc/41/69/96/707416996.db2.gz INRKRAHYGQKFJU-LSDHHAIUSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033197574 707417000 /nfs/dbraw/zinc/41/70/00/707417000.db2.gz INRKRAHYGQKFJU-LSDHHAIUSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1cc(CN2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)sn1 ZINC001033194072 707430487 /nfs/dbraw/zinc/43/04/87/707430487.db2.gz BCXMMHHRVYFGJB-GDBMZVCRSA-N 2 1 336.505 1.969 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CCc3ccccc3)C2)C1 ZINC000999860935 707497501 /nfs/dbraw/zinc/49/75/01/707497501.db2.gz GATYZXANWLGGNM-CTWPCTMYSA-N 2 1 345.487 1.529 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CCc3ccccc3)C2)C1 ZINC000999860935 707497502 /nfs/dbraw/zinc/49/75/02/707497502.db2.gz GATYZXANWLGGNM-CTWPCTMYSA-N 2 1 345.487 1.529 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033319746 707499209 /nfs/dbraw/zinc/49/92/09/707499209.db2.gz SABXAWPLDYUCOB-MRXNPFEDSA-N 2 1 334.464 1.890 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033319746 707499214 /nfs/dbraw/zinc/49/92/14/707499214.db2.gz SABXAWPLDYUCOB-MRXNPFEDSA-N 2 1 334.464 1.890 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nncs2)C1 ZINC000999875894 707522694 /nfs/dbraw/zinc/52/26/94/707522694.db2.gz CXTQSSRFGABJQB-RUXDESIVSA-N 2 1 337.493 1.492 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nncs2)C1 ZINC000999875894 707522700 /nfs/dbraw/zinc/52/27/00/707522700.db2.gz CXTQSSRFGABJQB-RUXDESIVSA-N 2 1 337.493 1.492 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncccn2)C1 ZINC000999876769 707524974 /nfs/dbraw/zinc/52/49/74/707524974.db2.gz RJHMOJFYGVQMHT-GPANFISMSA-N 2 1 331.464 1.430 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncccn2)C1 ZINC000999876769 707524980 /nfs/dbraw/zinc/52/49/80/707524980.db2.gz RJHMOJFYGVQMHT-GPANFISMSA-N 2 1 331.464 1.430 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[NH+](CCC3CC3)C2)nn1 ZINC000999964239 707629839 /nfs/dbraw/zinc/62/98/39/707629839.db2.gz WWXIGQLPDPMTHX-DLBZAZTESA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CCC3CC3)C2)nn1 ZINC000999964239 707629841 /nfs/dbraw/zinc/62/98/41/707629841.db2.gz WWXIGQLPDPMTHX-DLBZAZTESA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CCC3CC3)C2)nn1 ZINC000999964239 707629846 /nfs/dbraw/zinc/62/98/46/707629846.db2.gz WWXIGQLPDPMTHX-DLBZAZTESA-N 2 1 346.479 1.035 20 0 EDADMP C[C@H]([NH2+]Cc1ncccn1)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004984730 707833240 /nfs/dbraw/zinc/83/32/40/707833240.db2.gz XPWRGOWOZDAOBX-HOTGVXAUSA-N 2 1 343.475 1.432 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033425993 707846216 /nfs/dbraw/zinc/84/62/16/707846216.db2.gz MNDCUYHGHDQVRY-INIZCTEOSA-N 2 1 333.480 1.185 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033425993 707846220 /nfs/dbraw/zinc/84/62/20/707846220.db2.gz MNDCUYHGHDQVRY-INIZCTEOSA-N 2 1 333.480 1.185 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033425993 707846224 /nfs/dbraw/zinc/84/62/24/707846224.db2.gz MNDCUYHGHDQVRY-INIZCTEOSA-N 2 1 333.480 1.185 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033425993 707846226 /nfs/dbraw/zinc/84/62/26/707846226.db2.gz MNDCUYHGHDQVRY-INIZCTEOSA-N 2 1 333.480 1.185 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)[nH]1 ZINC001000202103 707848608 /nfs/dbraw/zinc/84/86/08/707848608.db2.gz TZYXWQANYREPMN-UKRRQHHQSA-N 2 1 348.495 1.487 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)[nH]1 ZINC001000202103 707848611 /nfs/dbraw/zinc/84/86/11/707848611.db2.gz TZYXWQANYREPMN-UKRRQHHQSA-N 2 1 348.495 1.487 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033229473 707883398 /nfs/dbraw/zinc/88/33/98/707883398.db2.gz SYXUUJFWJVEPBJ-MRXNPFEDSA-N 2 1 335.492 1.717 20 0 EDADMP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033230367 707890551 /nfs/dbraw/zinc/89/05/51/707890551.db2.gz MVQOHHNIJIRTNH-INIZCTEOSA-N 2 1 338.415 1.377 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001033468659 707928732 /nfs/dbraw/zinc/92/87/32/707928732.db2.gz ZXKSDWIPEFNHMA-IRXDYDNUSA-N 2 1 348.491 1.966 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001033468659 707928733 /nfs/dbraw/zinc/92/87/33/707928733.db2.gz ZXKSDWIPEFNHMA-IRXDYDNUSA-N 2 1 348.491 1.966 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001033470663 707932184 /nfs/dbraw/zinc/93/21/84/707932184.db2.gz CDIXUAJGFODUHC-IAGOWNOFSA-N 2 1 348.495 1.074 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033470663 707932187 /nfs/dbraw/zinc/93/21/87/707932187.db2.gz CDIXUAJGFODUHC-IAGOWNOFSA-N 2 1 348.495 1.074 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033470663 707932189 /nfs/dbraw/zinc/93/21/89/707932189.db2.gz CDIXUAJGFODUHC-IAGOWNOFSA-N 2 1 348.495 1.074 20 0 EDADMP Cc1ccccc1OCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032780823 707965955 /nfs/dbraw/zinc/96/59/55/707965955.db2.gz DSQBFAXNLQMYKJ-SQNIBIBYSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1ccccc1OCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001032780823 707965958 /nfs/dbraw/zinc/96/59/58/707965958.db2.gz DSQBFAXNLQMYKJ-SQNIBIBYSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1ccccc1OCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032780823 707965962 /nfs/dbraw/zinc/96/59/62/707965962.db2.gz DSQBFAXNLQMYKJ-SQNIBIBYSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1ccccc1OCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032780823 707965965 /nfs/dbraw/zinc/96/59/65/707965965.db2.gz DSQBFAXNLQMYKJ-SQNIBIBYSA-N 2 1 343.471 1.611 20 0 EDADMP CO[C@H](C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001001139105 708099719 /nfs/dbraw/zinc/09/97/19/708099719.db2.gz JQBUQUBKLUYQKH-HIFRSBDPSA-N 2 1 332.448 1.613 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001005185093 708112462 /nfs/dbraw/zinc/11/24/62/708112462.db2.gz PQEBCWLKUOEZES-RHSMWYFYSA-N 2 1 331.464 1.555 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001005185093 708112464 /nfs/dbraw/zinc/11/24/64/708112464.db2.gz PQEBCWLKUOEZES-RHSMWYFYSA-N 2 1 331.464 1.555 20 0 EDADMP Cc1ncsc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005178853 708120989 /nfs/dbraw/zinc/12/09/89/708120989.db2.gz LQCKFKDYVUERII-HNNXBMFYSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033531150 708153956 /nfs/dbraw/zinc/15/39/56/708153956.db2.gz KELGUWORZLNJRV-GOSISDBHSA-N 2 1 347.507 1.493 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033531150 708153957 /nfs/dbraw/zinc/15/39/57/708153957.db2.gz KELGUWORZLNJRV-GOSISDBHSA-N 2 1 347.507 1.493 20 0 EDADMP Cc1cc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001061012381 708172896 /nfs/dbraw/zinc/17/28/96/708172896.db2.gz DANMNLCKAKFSEC-FVQBIDKESA-N 2 1 331.464 1.694 20 0 EDADMP Cc1cc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001061012381 708172898 /nfs/dbraw/zinc/17/28/98/708172898.db2.gz DANMNLCKAKFSEC-FVQBIDKESA-N 2 1 331.464 1.694 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001033582093 708264587 /nfs/dbraw/zinc/26/45/87/708264587.db2.gz NZLWFBSTKGLEBS-SJLPKXTDSA-N 2 1 347.507 1.320 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033582093 708264588 /nfs/dbraw/zinc/26/45/88/708264588.db2.gz NZLWFBSTKGLEBS-SJLPKXTDSA-N 2 1 347.507 1.320 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033582093 708264592 /nfs/dbraw/zinc/26/45/92/708264592.db2.gz NZLWFBSTKGLEBS-SJLPKXTDSA-N 2 1 347.507 1.320 20 0 EDADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033583417 708267862 /nfs/dbraw/zinc/26/78/62/708267862.db2.gz VTKLAFWAJVYZEN-PBHICJAKSA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033583417 708267865 /nfs/dbraw/zinc/26/78/65/708267865.db2.gz VTKLAFWAJVYZEN-PBHICJAKSA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033583417 708267866 /nfs/dbraw/zinc/26/78/66/708267866.db2.gz VTKLAFWAJVYZEN-PBHICJAKSA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033583417 708267869 /nfs/dbraw/zinc/26/78/69/708267869.db2.gz VTKLAFWAJVYZEN-PBHICJAKSA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033591459 708289205 /nfs/dbraw/zinc/28/92/05/708289205.db2.gz CGOCARAXSSZOSY-ZWKOTPCHSA-N 2 1 349.519 1.556 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033592924 708292051 /nfs/dbraw/zinc/29/20/51/708292051.db2.gz JSXCFMJKKMYBCW-QZTJIDSGSA-N 2 1 343.471 1.349 20 0 EDADMP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC001001835721 708340460 /nfs/dbraw/zinc/34/04/60/708340460.db2.gz ZJOQBSJHXARXFH-KDOFPFPSSA-N 2 1 345.491 1.311 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001033654236 708421446 /nfs/dbraw/zinc/42/14/46/708421446.db2.gz AAHOATNREVABQF-UKRRQHHQSA-N 2 1 339.871 1.021 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001033654236 708421447 /nfs/dbraw/zinc/42/14/47/708421447.db2.gz AAHOATNREVABQF-UKRRQHHQSA-N 2 1 339.871 1.021 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCn2cc(Cl)cn2)C1 ZINC001033654236 708421449 /nfs/dbraw/zinc/42/14/49/708421449.db2.gz AAHOATNREVABQF-UKRRQHHQSA-N 2 1 339.871 1.021 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCn2cc(Cl)cn2)C1 ZINC001033654236 708421450 /nfs/dbraw/zinc/42/14/50/708421450.db2.gz AAHOATNREVABQF-UKRRQHHQSA-N 2 1 339.871 1.021 20 0 EDADMP CCOc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033665779 708449705 /nfs/dbraw/zinc/44/97/05/708449705.db2.gz REDVGCGCEGUECJ-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP CCOc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033665779 708449707 /nfs/dbraw/zinc/44/97/07/708449707.db2.gz REDVGCGCEGUECJ-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP CCOc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001033665779 708449709 /nfs/dbraw/zinc/44/97/09/708449709.db2.gz REDVGCGCEGUECJ-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP CCOc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033665779 708449711 /nfs/dbraw/zinc/44/97/11/708449711.db2.gz REDVGCGCEGUECJ-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001033666792 708452428 /nfs/dbraw/zinc/45/24/28/708452428.db2.gz ZJZDOKOVXSFXEY-SJORKVTESA-N 2 1 331.460 1.680 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033666792 708452432 /nfs/dbraw/zinc/45/24/32/708452432.db2.gz ZJZDOKOVXSFXEY-SJORKVTESA-N 2 1 331.460 1.680 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033666792 708452435 /nfs/dbraw/zinc/45/24/35/708452435.db2.gz ZJZDOKOVXSFXEY-SJORKVTESA-N 2 1 331.460 1.680 20 0 EDADMP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033672312 708463995 /nfs/dbraw/zinc/46/39/95/708463995.db2.gz NWDDEZQTLOIMTH-SJORKVTESA-N 2 1 325.497 1.676 20 0 EDADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033672312 708463997 /nfs/dbraw/zinc/46/39/97/708463997.db2.gz NWDDEZQTLOIMTH-SJORKVTESA-N 2 1 325.497 1.676 20 0 EDADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001033672312 708464001 /nfs/dbraw/zinc/46/40/01/708464001.db2.gz NWDDEZQTLOIMTH-SJORKVTESA-N 2 1 325.497 1.676 20 0 EDADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001033672312 708464005 /nfs/dbraw/zinc/46/40/05/708464005.db2.gz NWDDEZQTLOIMTH-SJORKVTESA-N 2 1 325.497 1.676 20 0 EDADMP CN(C)c1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)ccn1 ZINC001033659529 708471779 /nfs/dbraw/zinc/47/17/79/708471779.db2.gz YKVGSGWTAHESTA-QGZVFWFLSA-N 2 1 345.491 1.276 20 0 EDADMP CN(C)c1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)ccn1 ZINC001033659529 708471781 /nfs/dbraw/zinc/47/17/81/708471781.db2.gz YKVGSGWTAHESTA-QGZVFWFLSA-N 2 1 345.491 1.276 20 0 EDADMP Cc1cnc([C@@H](C)N2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002120616 708634289 /nfs/dbraw/zinc/63/42/89/708634289.db2.gz JSXPDTMPRMKKQL-GDBMZVCRSA-N 2 1 334.464 1.824 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002120616 708634290 /nfs/dbraw/zinc/63/42/90/708634290.db2.gz JSXPDTMPRMKKQL-GDBMZVCRSA-N 2 1 334.464 1.824 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002120616 708634292 /nfs/dbraw/zinc/63/42/92/708634292.db2.gz JSXPDTMPRMKKQL-GDBMZVCRSA-N 2 1 334.464 1.824 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002126670 708642517 /nfs/dbraw/zinc/64/25/17/708642517.db2.gz OSYULWMLXRNYMZ-INIZCTEOSA-N 2 1 331.464 1.065 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC001033772738 708670928 /nfs/dbraw/zinc/67/09/28/708670928.db2.gz BVVLTGUGHGKQDA-AEFFLSMTSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ncccc2C)C1 ZINC001033772738 708670930 /nfs/dbraw/zinc/67/09/30/708670930.db2.gz BVVLTGUGHGKQDA-AEFFLSMTSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ncccc2C)C1 ZINC001033772738 708670932 /nfs/dbraw/zinc/67/09/32/708670932.db2.gz BVVLTGUGHGKQDA-AEFFLSMTSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCn2nc(C)cc2C)C1 ZINC001033778248 708706603 /nfs/dbraw/zinc/70/66/03/708706603.db2.gz YZFCFEKUIZSMBX-QZTJIDSGSA-N 2 1 347.507 1.517 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001033778248 708706605 /nfs/dbraw/zinc/70/66/05/708706605.db2.gz YZFCFEKUIZSMBX-QZTJIDSGSA-N 2 1 347.507 1.517 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001033778248 708706607 /nfs/dbraw/zinc/70/66/07/708706607.db2.gz YZFCFEKUIZSMBX-QZTJIDSGSA-N 2 1 347.507 1.517 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001033829646 708850176 /nfs/dbraw/zinc/85/01/76/708850176.db2.gz AGBQCNILABXBDW-WMZOPIPTSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001033829646 708850179 /nfs/dbraw/zinc/85/01/79/708850179.db2.gz AGBQCNILABXBDW-WMZOPIPTSA-N 2 1 346.475 1.748 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3cccnc3)CC2)CC[N@H+]1C ZINC001005408527 708916324 /nfs/dbraw/zinc/91/63/24/708916324.db2.gz AJOCEQGPISDNOU-CRAIPNDOSA-N 2 1 330.476 1.845 20 0 EDADMP C[C@H](O)C[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001005408419 708916396 /nfs/dbraw/zinc/91/63/96/708916396.db2.gz YUPUBHVEGWAISG-GUYCJALGSA-N 2 1 349.479 1.094 20 0 EDADMP C[C@H](O)C[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001005408419 708916397 /nfs/dbraw/zinc/91/63/97/708916397.db2.gz YUPUBHVEGWAISG-GUYCJALGSA-N 2 1 349.479 1.094 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001005408416 708916568 /nfs/dbraw/zinc/91/65/68/708916568.db2.gz YUPUBHVEGWAISG-CXAGYDPISA-N 2 1 349.479 1.094 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001005408416 708916572 /nfs/dbraw/zinc/91/65/72/708916572.db2.gz YUPUBHVEGWAISG-CXAGYDPISA-N 2 1 349.479 1.094 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001002443703 708963672 /nfs/dbraw/zinc/96/36/72/708963672.db2.gz HPPLFSMKWOIVFO-KRWDZBQOSA-N 2 1 332.448 1.265 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001002443703 708963674 /nfs/dbraw/zinc/96/36/74/708963674.db2.gz HPPLFSMKWOIVFO-KRWDZBQOSA-N 2 1 332.448 1.265 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001002443719 708963930 /nfs/dbraw/zinc/96/39/30/708963930.db2.gz IEIGNWJVSUNSMW-MRXNPFEDSA-N 2 1 332.448 1.265 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC001002443719 708963931 /nfs/dbraw/zinc/96/39/31/708963931.db2.gz IEIGNWJVSUNSMW-MRXNPFEDSA-N 2 1 332.448 1.265 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001002477306 709014381 /nfs/dbraw/zinc/01/43/81/709014381.db2.gz YINZMGQPPCSTKY-QZTJIDSGSA-N 2 1 331.460 1.395 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC001005478016 709103927 /nfs/dbraw/zinc/10/39/27/709103927.db2.gz SXRZOHAYICCMTG-JKSUJKDBSA-N 2 1 338.496 1.048 20 0 EDADMP CCN(C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)[C@H]1CC[N@H+](CCOC)C1 ZINC001033955717 709137412 /nfs/dbraw/zinc/13/74/12/709137412.db2.gz BWQMMUVAVCRIFD-CVEARBPZSA-N 2 1 334.464 1.323 20 0 EDADMP CCN(C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001033955717 709137414 /nfs/dbraw/zinc/13/74/14/709137414.db2.gz BWQMMUVAVCRIFD-CVEARBPZSA-N 2 1 334.464 1.323 20 0 EDADMP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033982592 709191480 /nfs/dbraw/zinc/19/14/80/709191480.db2.gz DVSSRGMIDISNQO-KRWDZBQOSA-N 2 1 335.496 1.637 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(OC)nc2)C1 ZINC001034042814 709293479 /nfs/dbraw/zinc/29/34/79/709293479.db2.gz QEXXBJJKDCGBSV-DLBZAZTESA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(OC)nc2)C1 ZINC001034042814 709293481 /nfs/dbraw/zinc/29/34/81/709293481.db2.gz QEXXBJJKDCGBSV-DLBZAZTESA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(OC)nc2)C1 ZINC001034042814 709293482 /nfs/dbraw/zinc/29/34/82/709293482.db2.gz QEXXBJJKDCGBSV-DLBZAZTESA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(OC)nc2)C1 ZINC001034042814 709293485 /nfs/dbraw/zinc/29/34/85/709293485.db2.gz QEXXBJJKDCGBSV-DLBZAZTESA-N 2 1 346.475 1.465 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001002791412 709399081 /nfs/dbraw/zinc/39/90/81/709399081.db2.gz IDTXHBWYRUWNOS-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001002792441 709400194 /nfs/dbraw/zinc/40/01/94/709400194.db2.gz NYUCALKOUPZVGQ-QGZVFWFLSA-N 2 1 333.480 1.374 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001002792441 709400196 /nfs/dbraw/zinc/40/01/96/709400196.db2.gz NYUCALKOUPZVGQ-QGZVFWFLSA-N 2 1 333.480 1.374 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CCCC3CCC3)C2)C1 ZINC001034148499 709419578 /nfs/dbraw/zinc/41/95/78/709419578.db2.gz LCDPLLXZTJSVDN-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CCCC3CCC3)C2)C1 ZINC001034148499 709419580 /nfs/dbraw/zinc/41/95/80/709419580.db2.gz LCDPLLXZTJSVDN-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](CCCC3CCC3)C2)C1 ZINC001034148499 709419581 /nfs/dbraw/zinc/41/95/81/709419581.db2.gz LCDPLLXZTJSVDN-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCCC3CCC3)C2)C1 ZINC001034148499 709419583 /nfs/dbraw/zinc/41/95/83/709419583.db2.gz LCDPLLXZTJSVDN-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cccc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC001034149328 709420733 /nfs/dbraw/zinc/42/07/33/709420733.db2.gz VRYQJOOFAWEULF-MOPGFXCFSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1cccc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001034149328 709420735 /nfs/dbraw/zinc/42/07/35/709420735.db2.gz VRYQJOOFAWEULF-MOPGFXCFSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1cccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)c1 ZINC001034149328 709420737 /nfs/dbraw/zinc/42/07/37/709420737.db2.gz VRYQJOOFAWEULF-MOPGFXCFSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1cccc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)c1 ZINC001034149328 709420739 /nfs/dbraw/zinc/42/07/39/709420739.db2.gz VRYQJOOFAWEULF-MOPGFXCFSA-N 2 1 345.487 1.796 20 0 EDADMP O=C(NC1CC[NH+](CC2=CCCCC2)CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001002875745 709483128 /nfs/dbraw/zinc/48/31/28/709483128.db2.gz QOIVQTGVNPXEOD-OALUTQOASA-N 2 1 347.503 1.931 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](Cc2ccccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034207867 709555534 /nfs/dbraw/zinc/55/55/34/709555534.db2.gz PJZZEHXBECNKLQ-MOPGFXCFSA-N 2 1 342.487 1.894 20 0 EDADMP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034275238 709684535 /nfs/dbraw/zinc/68/45/35/709684535.db2.gz XQNJNQTXZXQRDV-IXDOHACOSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034275238 709684538 /nfs/dbraw/zinc/68/45/38/709684538.db2.gz XQNJNQTXZXQRDV-IXDOHACOSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034275238 709684543 /nfs/dbraw/zinc/68/45/43/709684543.db2.gz XQNJNQTXZXQRDV-IXDOHACOSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034275238 709684548 /nfs/dbraw/zinc/68/45/48/709684548.db2.gz XQNJNQTXZXQRDV-IXDOHACOSA-N 2 1 325.497 1.722 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CCC2CC2)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321916 709772353 /nfs/dbraw/zinc/77/23/53/709772353.db2.gz XJRULNOGOGJXKN-SFANZJOMSA-N 2 1 347.503 1.620 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CCC2CC2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001034321916 709772356 /nfs/dbraw/zinc/77/23/56/709772356.db2.gz XJRULNOGOGJXKN-SFANZJOMSA-N 2 1 347.503 1.620 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CCC2CC2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001034321916 709772359 /nfs/dbraw/zinc/77/23/59/709772359.db2.gz XJRULNOGOGJXKN-SFANZJOMSA-N 2 1 347.503 1.620 20 0 EDADMP Cc1nocc1C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378078 709898854 /nfs/dbraw/zinc/89/88/54/709898854.db2.gz PCUNNANAPFMKGO-KRWDZBQOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nocc1C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378078 709898858 /nfs/dbraw/zinc/89/88/58/709898858.db2.gz PCUNNANAPFMKGO-KRWDZBQOSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CCn3cccn3)C2)C1 ZINC001034395046 709932218 /nfs/dbraw/zinc/93/22/18/709932218.db2.gz ULDFZIRVPYVOAO-SJORKVTESA-N 2 1 333.480 1.196 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCn3cccn3)C2)C1 ZINC001034395046 709932221 /nfs/dbraw/zinc/93/22/21/709932221.db2.gz ULDFZIRVPYVOAO-SJORKVTESA-N 2 1 333.480 1.196 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCn3cccn3)C2)C1 ZINC001034395046 709932224 /nfs/dbraw/zinc/93/22/24/709932224.db2.gz ULDFZIRVPYVOAO-SJORKVTESA-N 2 1 333.480 1.196 20 0 EDADMP Cn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034430408 709997231 /nfs/dbraw/zinc/99/72/31/709997231.db2.gz DVBKHOHJSJYXMZ-MRXNPFEDSA-N 2 1 348.495 1.018 20 0 EDADMP Cn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034430408 709997234 /nfs/dbraw/zinc/99/72/34/709997234.db2.gz DVBKHOHJSJYXMZ-MRXNPFEDSA-N 2 1 348.495 1.018 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001003144816 710041565 /nfs/dbraw/zinc/04/15/65/710041565.db2.gz JXNSCHSTUMSKPW-AEFFLSMTSA-N 2 1 345.491 1.518 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001003144816 710041572 /nfs/dbraw/zinc/04/15/72/710041572.db2.gz JXNSCHSTUMSKPW-AEFFLSMTSA-N 2 1 345.491 1.518 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](CCCO)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001034466920 710042975 /nfs/dbraw/zinc/04/29/75/710042975.db2.gz IZQUIHSZXFGAQL-INIZCTEOSA-N 2 1 343.431 1.234 20 0 EDADMP O=C(N[C@H]1CCCC[N@H+](CCCO)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001034466920 710042980 /nfs/dbraw/zinc/04/29/80/710042980.db2.gz IZQUIHSZXFGAQL-INIZCTEOSA-N 2 1 343.431 1.234 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001034491322 710110665 /nfs/dbraw/zinc/11/06/65/710110665.db2.gz SPMAQFMTTXBNSE-IAGOWNOFSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001034491322 710110666 /nfs/dbraw/zinc/11/06/66/710110666.db2.gz SPMAQFMTTXBNSE-IAGOWNOFSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)ncn1 ZINC001034491322 710110669 /nfs/dbraw/zinc/11/06/69/710110669.db2.gz SPMAQFMTTXBNSE-IAGOWNOFSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)ncn1 ZINC001034491322 710110670 /nfs/dbraw/zinc/11/06/70/710110670.db2.gz SPMAQFMTTXBNSE-IAGOWNOFSA-N 2 1 345.491 1.598 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](Cc3cccnc3)C2)C1 ZINC001034491099 710110748 /nfs/dbraw/zinc/11/07/48/710110748.db2.gz QKYYGWODKGLKMQ-AEFFLSMTSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@H+](Cc3cccnc3)C2)C1 ZINC001034491099 710110752 /nfs/dbraw/zinc/11/07/52/710110752.db2.gz QKYYGWODKGLKMQ-AEFFLSMTSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@@H+](Cc3cccnc3)C2)C1 ZINC001034491099 710110756 /nfs/dbraw/zinc/11/07/56/710110756.db2.gz QKYYGWODKGLKMQ-AEFFLSMTSA-N 2 1 330.476 1.894 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001003230880 710152059 /nfs/dbraw/zinc/15/20/59/710152059.db2.gz SJUYCVVIHUXHBD-SFHVURJKSA-N 2 1 347.507 1.584 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529050 710183154 /nfs/dbraw/zinc/18/31/54/710183154.db2.gz VNAXUNRAVFEMEW-KRWDZBQOSA-N 2 1 333.480 1.295 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](CC[C@H]2CCOC2)C1 ZINC001034529756 710185523 /nfs/dbraw/zinc/18/55/23/710185523.db2.gz MSKYPYMZYLCLNF-DLBZAZTESA-N 2 1 334.464 1.589 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001034529756 710185525 /nfs/dbraw/zinc/18/55/25/710185525.db2.gz MSKYPYMZYLCLNF-DLBZAZTESA-N 2 1 334.464 1.589 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001034530103 710186007 /nfs/dbraw/zinc/18/60/07/710186007.db2.gz SREYLZGTQJGBTO-DLBZAZTESA-N 2 1 334.464 1.589 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001034530103 710186009 /nfs/dbraw/zinc/18/60/09/710186009.db2.gz SREYLZGTQJGBTO-DLBZAZTESA-N 2 1 334.464 1.589 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001034613358 710288329 /nfs/dbraw/zinc/28/83/29/710288329.db2.gz ZXJDMKMVEFEZCA-JYJNAYRXSA-N 2 1 348.495 1.470 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000922169481 710322065 /nfs/dbraw/zinc/32/20/65/710322065.db2.gz LSXSZRIKCAUSSK-UHFFFAOYSA-N 2 1 336.524 1.489 20 0 EDADMP O=C(NC1CC[NH+](C[C@@H]2CCCOC2)CC1)[C@H]1CCCc2[nH]cnc21 ZINC001003606472 710446801 /nfs/dbraw/zinc/44/68/01/710446801.db2.gz MOHGVVAPUYWHRB-HOCLYGCPSA-N 2 1 346.475 1.837 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](CCn3cccn3)CC2)C1 ZINC001003629565 710459291 /nfs/dbraw/zinc/45/92/91/710459291.db2.gz CHSZZZIEDRWYHD-UHFFFAOYSA-N 2 1 333.480 1.196 20 0 EDADMP Cc1ccncc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003632775 710461304 /nfs/dbraw/zinc/46/13/04/710461304.db2.gz CISPRJDEQYDCSB-CRAIPNDOSA-N 2 1 330.476 1.668 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003635240 710462367 /nfs/dbraw/zinc/46/23/67/710462367.db2.gz NHRYXXCSEBSCHK-RDJZCZTQSA-N 2 1 330.476 1.668 20 0 EDADMP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001003776023 710545077 /nfs/dbraw/zinc/54/50/77/710545077.db2.gz GDNXSRQCKFNPEU-ZWKOTPCHSA-N 2 1 345.491 1.481 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034672013 710617947 /nfs/dbraw/zinc/61/79/47/710617947.db2.gz GRCDADDLOKKUQV-ULQDDVLXSA-N 2 1 333.480 1.384 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1 ZINC001034675257 710627126 /nfs/dbraw/zinc/62/71/26/710627126.db2.gz YJFBBMGRYMJNJW-XSLAGTTESA-N 2 1 337.508 1.914 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC001034692980 710782373 /nfs/dbraw/zinc/78/23/73/710782373.db2.gz QURJHXASCAZDBK-QAQDUYKDSA-N 2 1 327.432 1.804 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnsn3)CC2)CC1 ZINC001034721978 710888761 /nfs/dbraw/zinc/88/87/61/710888761.db2.gz TYOXOXDWBDOOBF-HDJSIYSDSA-N 2 1 337.493 1.397 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1)c1nncn1C ZINC001034733475 710913910 /nfs/dbraw/zinc/91/39/10/710913910.db2.gz CSRHBEUMOMFGJM-QKPAOTATSA-N 2 1 348.495 1.235 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001034734824 710913988 /nfs/dbraw/zinc/91/39/88/710913988.db2.gz ADRGUDMXRSTTMA-JQFCIGGWSA-N 2 1 334.464 1.984 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001034737557 710950339 /nfs/dbraw/zinc/95/03/39/710950339.db2.gz MLIZVWQDHSIZRF-RZLSGREXSA-N 2 1 336.505 1.858 20 0 EDADMP Cc1nc(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cs1 ZINC001032958448 710951252 /nfs/dbraw/zinc/95/12/52/710951252.db2.gz AFPPKFKYRSGFLX-HZPDHXFCSA-N 2 1 336.505 1.621 20 0 EDADMP Cc1nc(CC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cs1 ZINC001032958448 710951257 /nfs/dbraw/zinc/95/12/57/710951257.db2.gz AFPPKFKYRSGFLX-HZPDHXFCSA-N 2 1 336.505 1.621 20 0 EDADMP Cc1nc(CC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cs1 ZINC001032958448 710951262 /nfs/dbraw/zinc/95/12/62/710951262.db2.gz AFPPKFKYRSGFLX-HZPDHXFCSA-N 2 1 336.505 1.621 20 0 EDADMP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001034763699 711035600 /nfs/dbraw/zinc/03/56/00/711035600.db2.gz VBKWYVSCTSPLFD-FVQBIDKESA-N 2 1 343.431 1.279 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC001034775687 711049572 /nfs/dbraw/zinc/04/95/72/711049572.db2.gz GDUZTDVSIAXVGJ-ULQDDVLXSA-N 2 1 347.507 1.587 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C)o2)CC1 ZINC001034795447 711113652 /nfs/dbraw/zinc/11/36/52/711113652.db2.gz FKZQAABAWXQAEL-JYJNAYRXSA-N 2 1 349.479 1.769 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C)o2)CC1 ZINC001034795447 711113654 /nfs/dbraw/zinc/11/36/54/711113654.db2.gz FKZQAABAWXQAEL-JYJNAYRXSA-N 2 1 349.479 1.769 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC001034792411 711119459 /nfs/dbraw/zinc/11/94/59/711119459.db2.gz JCKDASCCRFSKPN-JYJNAYRXSA-N 2 1 331.464 1.254 20 0 EDADMP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001034794093 711126272 /nfs/dbraw/zinc/12/62/72/711126272.db2.gz YKEQIQSYHAXNHI-SHTZXODSSA-N 2 1 345.451 1.020 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC001034796572 711128537 /nfs/dbraw/zinc/12/85/37/711128537.db2.gz JAMDJPXEZNRRML-UCNSEENLSA-N 2 1 349.479 1.768 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC001034796572 711128540 /nfs/dbraw/zinc/12/85/40/711128540.db2.gz JAMDJPXEZNRRML-UCNSEENLSA-N 2 1 349.479 1.768 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)c(C)s1 ZINC001003974251 711133128 /nfs/dbraw/zinc/13/31/28/711133128.db2.gz HMWMQMYAYZDJMR-UHFFFAOYSA-N 2 1 348.516 1.936 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003968759 711145215 /nfs/dbraw/zinc/14/52/15/711145215.db2.gz UCQAKQVRBUHONB-OAHLLOKOSA-N 2 1 348.495 1.029 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003968759 711145219 /nfs/dbraw/zinc/14/52/19/711145219.db2.gz UCQAKQVRBUHONB-OAHLLOKOSA-N 2 1 348.495 1.029 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001003983514 711182867 /nfs/dbraw/zinc/18/28/67/711182867.db2.gz LUGRQZRTCSCQKF-MRXNPFEDSA-N 2 1 346.475 1.911 20 0 EDADMP O=C(NC1CC[NH+](CC=C(Cl)Cl)CC1)C12CC[NH+](CC1)C2 ZINC001003986785 711194276 /nfs/dbraw/zinc/19/42/76/711194276.db2.gz YQHTXTJXVWLSFD-UHFFFAOYSA-N 2 1 332.275 1.982 20 0 EDADMP Cc1c(Cl)c(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)nn1C ZINC000922391020 711454872 /nfs/dbraw/zinc/45/48/72/711454872.db2.gz QSIBUZLGNQJROD-QIJZBDPFSA-N 2 1 340.899 1.951 20 0 EDADMP Cc1c(Cl)c(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)nn1C ZINC000922391020 711454874 /nfs/dbraw/zinc/45/48/74/711454874.db2.gz QSIBUZLGNQJROD-QIJZBDPFSA-N 2 1 340.899 1.951 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc4cnccn34)C2)[C@H]1C(C)C ZINC000922392121 711457462 /nfs/dbraw/zinc/45/74/62/711457462.db2.gz BMRGSDLTNJIKAM-RWQQGDIJSA-N 2 1 343.475 1.689 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(N(C)C)n3)C2)[C@@H]1C(C)C ZINC000922395622 711469037 /nfs/dbraw/zinc/46/90/37/711469037.db2.gz XOMKGUMUPQSXDR-VXIBKDFQSA-N 2 1 347.507 1.502 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033127588 711877853 /nfs/dbraw/zinc/87/78/53/711877853.db2.gz WHAKYYHHTBOZME-DLBZAZTESA-N 2 1 333.480 1.290 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033127588 711877854 /nfs/dbraw/zinc/87/78/54/711877854.db2.gz WHAKYYHHTBOZME-DLBZAZTESA-N 2 1 333.480 1.290 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033127588 711877856 /nfs/dbraw/zinc/87/78/56/711877856.db2.gz WHAKYYHHTBOZME-DLBZAZTESA-N 2 1 333.480 1.290 20 0 EDADMP CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623946 711926985 /nfs/dbraw/zinc/92/69/85/711926985.db2.gz VQZNNEHGAPHJHN-KSZLIROESA-N 2 1 347.507 1.392 20 0 EDADMP CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623946 711926986 /nfs/dbraw/zinc/92/69/86/711926986.db2.gz VQZNNEHGAPHJHN-KSZLIROESA-N 2 1 347.507 1.392 20 0 EDADMP CN(C(=O)[C@@H]1CCCc2nccn21)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033151072 712117631 /nfs/dbraw/zinc/11/76/31/712117631.db2.gz HQKVQEBUGJRDMA-IRXDYDNUSA-N 2 1 339.443 1.888 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[NH+]12)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946642962 712130000 /nfs/dbraw/zinc/13/00/00/712130000.db2.gz XKOJHGYSGDSEFV-XWTMOSNGSA-N 2 1 335.492 1.166 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946642962 712130002 /nfs/dbraw/zinc/13/00/02/712130002.db2.gz XKOJHGYSGDSEFV-XWTMOSNGSA-N 2 1 335.492 1.166 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946642962 712130005 /nfs/dbraw/zinc/13/00/05/712130005.db2.gz XKOJHGYSGDSEFV-XWTMOSNGSA-N 2 1 335.492 1.166 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC000370536396 712330618 /nfs/dbraw/zinc/33/06/18/712330618.db2.gz SFJOAZQTHWQKFA-MSOLQXFVSA-N 2 1 337.508 1.581 20 0 EDADMP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050248503 214051753 /nfs/dbraw/zinc/05/17/53/214051753.db2.gz KQCXLNCOBZYREY-GFCCVEGCSA-N 2 1 340.265 1.688 20 0 EDADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050248503 214051757 /nfs/dbraw/zinc/05/17/57/214051757.db2.gz KQCXLNCOBZYREY-GFCCVEGCSA-N 2 1 340.265 1.688 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000557672487 306233007 /nfs/dbraw/zinc/23/30/07/306233007.db2.gz AUJVJRRLZOAYRL-INIZCTEOSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](C)CC1 ZINC000558053844 306235429 /nfs/dbraw/zinc/23/54/29/306235429.db2.gz MPVRMKZXBPLQTQ-PKOBYXMFSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](C)CC1 ZINC000558053844 306235430 /nfs/dbraw/zinc/23/54/30/306235430.db2.gz MPVRMKZXBPLQTQ-PKOBYXMFSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](C)CC1 ZINC000558053844 306235431 /nfs/dbraw/zinc/23/54/31/306235431.db2.gz MPVRMKZXBPLQTQ-PKOBYXMFSA-N 2 1 344.503 1.403 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]C)C1)[NH+]1CCOCC1 ZINC000159015321 282220591 /nfs/dbraw/zinc/22/05/91/282220591.db2.gz HKOABCQMMAPCJY-RDJZCZTQSA-N 2 1 325.497 1.581 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000558725165 306246012 /nfs/dbraw/zinc/24/60/12/306246012.db2.gz ALJHZDLJJCOTLY-QGZVFWFLSA-N 2 1 338.492 1.637 20 0 EDADMP CCC(CC)[C@H](C(=O)NCC[N@@H+](C)[C@H](C)CC)[NH+]1CCOCC1 ZINC000173448464 282254145 /nfs/dbraw/zinc/25/41/45/282254145.db2.gz MLADRYBYOKOQFC-NVXWUHKLSA-N 2 1 327.513 1.970 20 0 EDADMP CCC(CC)[C@H](C(=O)NCC[N@H+](C)[C@H](C)CC)[NH+]1CCOCC1 ZINC000173448464 282254146 /nfs/dbraw/zinc/25/41/46/282254146.db2.gz MLADRYBYOKOQFC-NVXWUHKLSA-N 2 1 327.513 1.970 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000154759054 529913223 /nfs/dbraw/zinc/91/32/23/529913223.db2.gz SSOKMHHNQWWMGB-UHFFFAOYSA-N 2 1 340.512 1.349 20 0 EDADMP C[NH+](CCNC(=O)N1CCC([N@H+](C)CCCO)CC1)C1CCCC1 ZINC000154759054 529913224 /nfs/dbraw/zinc/91/32/24/529913224.db2.gz SSOKMHHNQWWMGB-UHFFFAOYSA-N 2 1 340.512 1.349 20 0 EDADMP C[NH+](CCNC(=O)N1CCC([N@@H+](C)CCCO)CC1)C1CCCC1 ZINC000154759054 529913226 /nfs/dbraw/zinc/91/32/26/529913226.db2.gz SSOKMHHNQWWMGB-UHFFFAOYSA-N 2 1 340.512 1.349 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000166164216 529993737 /nfs/dbraw/zinc/99/37/37/529993737.db2.gz LCMIDGDGAGNIIA-HNNXBMFYSA-N 2 1 344.459 1.768 20 0 EDADMP COc1ccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(OC)c1 ZINC000178674075 232361930 /nfs/dbraw/zinc/36/19/30/232361930.db2.gz SDRFICPHWHEZOC-CQSZACIVSA-N 2 1 335.448 1.519 20 0 EDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000560901574 306280876 /nfs/dbraw/zinc/28/08/76/306280876.db2.gz RAZOFWLAKNUMMV-HOCLYGCPSA-N 2 1 325.478 1.036 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000560901574 306280877 /nfs/dbraw/zinc/28/08/77/306280877.db2.gz RAZOFWLAKNUMMV-HOCLYGCPSA-N 2 1 325.478 1.036 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000561188424 306284092 /nfs/dbraw/zinc/28/40/92/306284092.db2.gz IYPOOMHHCZWXIM-HZMVEIRTSA-N 2 1 338.496 1.399 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000151493509 539754688 /nfs/dbraw/zinc/75/46/88/539754688.db2.gz LYMQQQHIFUPGCJ-HZPDHXFCSA-N 2 1 328.501 1.514 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000151493509 539754689 /nfs/dbraw/zinc/75/46/89/539754689.db2.gz LYMQQQHIFUPGCJ-HZPDHXFCSA-N 2 1 328.501 1.514 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2CCO)CC1 ZINC000342013017 539755137 /nfs/dbraw/zinc/75/51/37/539755137.db2.gz FOWWTAQWIRBEKK-QGZVFWFLSA-N 2 1 325.497 1.602 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000343019595 539777967 /nfs/dbraw/zinc/77/79/67/539777967.db2.gz ZXMQJGFKVLZISX-GDBMZVCRSA-N 2 1 349.479 1.029 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+](CC)CC)CC[N@H+]1C[C@@H](C)O ZINC000345343888 539829083 /nfs/dbraw/zinc/82/90/83/539829083.db2.gz NCKNDZAZCXKVHE-BZUAXINKSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000562753807 306307840 /nfs/dbraw/zinc/30/78/40/306307840.db2.gz JWKGSUAFYGZCPH-CQSZACIVSA-N 2 1 344.459 1.214 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000562805671 306309619 /nfs/dbraw/zinc/30/96/19/306309619.db2.gz KQXLBTULIKOQGY-NXHRZFHOSA-N 2 1 330.476 1.948 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2([NH3+])C[C@@H](OCC)C2(C)C)C1 ZINC000249074471 283060584 /nfs/dbraw/zinc/06/05/84/283060584.db2.gz NEDLBZPWSHPEDJ-DAYGRLMNSA-N 2 1 325.497 1.709 20 0 EDADMP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]cc1C(N)=O ZINC000186165642 540150244 /nfs/dbraw/zinc/15/02/44/540150244.db2.gz XFEOKPPODKBRMB-LJQANCHMSA-N 2 1 340.427 1.254 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]cc1C(N)=O ZINC000186165642 540150249 /nfs/dbraw/zinc/15/02/49/540150249.db2.gz XFEOKPPODKBRMB-LJQANCHMSA-N 2 1 340.427 1.254 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@H]2C1 ZINC000333567181 283147730 /nfs/dbraw/zinc/14/77/30/283147730.db2.gz RLGZBMXPTNIBIK-FLRQUGKWSA-N 2 1 346.519 1.876 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000055377161 138146860 /nfs/dbraw/zinc/14/68/60/138146860.db2.gz FPRGZBQTVXTBOY-MRXNPFEDSA-N 2 1 347.507 1.623 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000055377161 138146864 /nfs/dbraw/zinc/14/68/64/138146864.db2.gz FPRGZBQTVXTBOY-MRXNPFEDSA-N 2 1 347.507 1.623 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000092588029 138289903 /nfs/dbraw/zinc/28/99/03/138289903.db2.gz VZRPGLAMLURBCP-HZPDHXFCSA-N 2 1 348.491 1.170 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000092588029 138289904 /nfs/dbraw/zinc/28/99/04/138289904.db2.gz VZRPGLAMLURBCP-HZPDHXFCSA-N 2 1 348.491 1.170 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000092588029 138289905 /nfs/dbraw/zinc/28/99/05/138289905.db2.gz VZRPGLAMLURBCP-HZPDHXFCSA-N 2 1 348.491 1.170 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000092588029 138289906 /nfs/dbraw/zinc/28/99/06/138289906.db2.gz VZRPGLAMLURBCP-HZPDHXFCSA-N 2 1 348.491 1.170 20 0 EDADMP Cc1nc2c(n1CCO)CC[C@@H](NC(=O)CC[N@@H+]1CCCC[C@H]1C)C2 ZINC000563963961 306353614 /nfs/dbraw/zinc/35/36/14/306353614.db2.gz GCHQHQAQDKHAIU-GDBMZVCRSA-N 2 1 348.491 1.422 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000369655630 283351566 /nfs/dbraw/zinc/35/15/66/283351566.db2.gz HTNKXMJDESNHSU-XMTFNYHQSA-N 2 1 334.508 1.844 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000369655630 283351568 /nfs/dbraw/zinc/35/15/68/283351568.db2.gz HTNKXMJDESNHSU-XMTFNYHQSA-N 2 1 334.508 1.844 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000369655630 283351571 /nfs/dbraw/zinc/35/15/71/283351571.db2.gz HTNKXMJDESNHSU-XMTFNYHQSA-N 2 1 334.508 1.844 20 0 EDADMP O=C(NCCCn1ccnc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000130608100 223164667 /nfs/dbraw/zinc/16/46/67/223164667.db2.gz DMEVJDHLSNFJRS-QGZVFWFLSA-N 2 1 328.416 1.290 20 0 EDADMP O=C(NCCCn1ccnc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000130608100 223164669 /nfs/dbraw/zinc/16/46/69/223164669.db2.gz DMEVJDHLSNFJRS-QGZVFWFLSA-N 2 1 328.416 1.290 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000130898130 223186375 /nfs/dbraw/zinc/18/63/75/223186375.db2.gz FYTSRKCXZBPEQO-QGZVFWFLSA-N 2 1 333.476 1.591 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000130898130 223186377 /nfs/dbraw/zinc/18/63/77/223186377.db2.gz FYTSRKCXZBPEQO-QGZVFWFLSA-N 2 1 333.476 1.591 20 0 EDADMP CN(C)c1ncc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000414356679 304111240 /nfs/dbraw/zinc/11/12/40/304111240.db2.gz GCGYLIUOSRLCAX-IBGZPJMESA-N 2 1 343.475 1.213 20 0 EDADMP CN(CC[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000566012941 306396417 /nfs/dbraw/zinc/39/64/17/306396417.db2.gz ZKBNKMPVBFTCPL-PMACEKPBSA-N 2 1 327.472 1.986 20 0 EDADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000566092519 306398617 /nfs/dbraw/zinc/39/86/17/306398617.db2.gz HGMQEVSUZWPVRT-CZUORRHYSA-N 2 1 341.477 1.477 20 0 EDADMP CCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000414699184 304129557 /nfs/dbraw/zinc/12/95/57/304129557.db2.gz JMWATJGVORHINR-AHCXZYCDSA-N 2 1 337.508 1.709 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C1CC1 ZINC000132726705 223357346 /nfs/dbraw/zinc/35/73/46/223357346.db2.gz FMORXNZIXRKJIK-CRAIPNDOSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C1CC1 ZINC000132726705 223357348 /nfs/dbraw/zinc/35/73/48/223357348.db2.gz FMORXNZIXRKJIK-CRAIPNDOSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)[N@H+](C)C1CC1 ZINC000132726705 223357351 /nfs/dbraw/zinc/35/73/51/223357351.db2.gz FMORXNZIXRKJIK-CRAIPNDOSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)[N@@H+](C)C1CC1 ZINC000132726705 223357353 /nfs/dbraw/zinc/35/73/53/223357353.db2.gz FMORXNZIXRKJIK-CRAIPNDOSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000414701678 304129777 /nfs/dbraw/zinc/12/97/77/304129777.db2.gz KNZWXVITVDMKRL-ILXRZTDVSA-N 2 1 346.475 1.881 20 0 EDADMP CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414707644 304130996 /nfs/dbraw/zinc/13/09/96/304130996.db2.gz MXPDSPOOILNFMW-OWCLPIDISA-N 2 1 325.497 1.709 20 0 EDADMP C[NH2+][C@H](C)C[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000414995809 304149323 /nfs/dbraw/zinc/14/93/23/304149323.db2.gz WKNMUHRBYOIYOC-CYBMUJFWSA-N 2 1 341.477 1.046 20 0 EDADMP c1ccc2sc(N3CC[NH+](CCN4CC[NH2+]CC4)CC3)nc2c1 ZINC000566797097 306428978 /nfs/dbraw/zinc/42/89/78/306428978.db2.gz VISLAVBEZPCOQE-UHFFFAOYSA-N 2 1 331.489 1.324 20 0 EDADMP CCOc1cc(C[N@H+](C)C[C@H](O)C[NH3+])cc(Br)c1OC ZINC000415055408 304154971 /nfs/dbraw/zinc/15/49/71/304154971.db2.gz MWUGUALLTJVUAD-LLVKDONJSA-N 2 1 347.253 1.608 20 0 EDADMP CCOc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])cc(Br)c1OC ZINC000415055408 304154973 /nfs/dbraw/zinc/15/49/73/304154973.db2.gz MWUGUALLTJVUAD-LLVKDONJSA-N 2 1 347.253 1.608 20 0 EDADMP c1nc(N2CCOCC2)sc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415059872 304155381 /nfs/dbraw/zinc/15/53/81/304155381.db2.gz XREZSXRTINOSDB-ZBFHGGJFSA-N 2 1 336.505 1.944 20 0 EDADMP c1nc(N2CCOCC2)sc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415059872 304155384 /nfs/dbraw/zinc/15/53/84/304155384.db2.gz XREZSXRTINOSDB-ZBFHGGJFSA-N 2 1 336.505 1.944 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415059483 304155626 /nfs/dbraw/zinc/15/56/26/304155626.db2.gz YFJBMIYRFHDKIR-AUUYWEPGSA-N 2 1 349.475 1.627 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000415062449 304155802 /nfs/dbraw/zinc/15/58/02/304155802.db2.gz MPOOAKLXSWAYOX-CZUORRHYSA-N 2 1 347.463 1.256 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000415062449 304155804 /nfs/dbraw/zinc/15/58/04/304155804.db2.gz MPOOAKLXSWAYOX-CZUORRHYSA-N 2 1 347.463 1.256 20 0 EDADMP C[C@@]1(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000415090485 304158754 /nfs/dbraw/zinc/15/87/54/304158754.db2.gz OZJQCJLSIFGZFU-UYAOXDASSA-N 3 1 344.503 1.473 20 0 EDADMP C[C@@]1(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000415090485 304158756 /nfs/dbraw/zinc/15/87/56/304158756.db2.gz OZJQCJLSIFGZFU-UYAOXDASSA-N 2 1 344.503 1.473 20 0 EDADMP C[C@@]1(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000415090485 304158759 /nfs/dbraw/zinc/15/87/59/304158759.db2.gz OZJQCJLSIFGZFU-UYAOXDASSA-N 2 1 344.503 1.473 20 0 EDADMP COc1ccc(OC)c(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415120954 304161722 /nfs/dbraw/zinc/16/17/22/304161722.db2.gz GUZOIKXFSWVBSG-OAHLLOKOSA-N 2 1 331.420 1.591 20 0 EDADMP CCc1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000415134365 304162419 /nfs/dbraw/zinc/16/24/19/304162419.db2.gz DPFGPMDPYWXQOZ-RBUKOAKNSA-N 2 1 342.487 1.969 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415159772 304167893 /nfs/dbraw/zinc/16/78/93/304167893.db2.gz GYTGDAJYYNXBLR-HOCLYGCPSA-N 2 1 330.432 1.027 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000236955643 139036368 /nfs/dbraw/zinc/03/63/68/139036368.db2.gz FCXLJCLUEJHOLD-HXUWFJFHSA-N 2 1 344.503 1.440 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)nc(C)[nH+]1 ZINC000237289722 139046665 /nfs/dbraw/zinc/04/66/65/139046665.db2.gz HMEAFPFDRIJPCV-GJZGRUSLSA-N 2 1 331.464 1.648 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000567470101 306453123 /nfs/dbraw/zinc/45/31/23/306453123.db2.gz OHHWPDFRKKMZKK-IAGOWNOFSA-N 2 1 331.460 1.503 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000237606402 139055420 /nfs/dbraw/zinc/05/54/20/139055420.db2.gz UISSBYDVFHJTCX-CYGHRXIMSA-N 2 1 337.508 1.852 20 0 EDADMP Cc1cc(N2CCC(NC(=O)C[C@@H]3CSCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000237785551 139060388 /nfs/dbraw/zinc/06/03/88/139060388.db2.gz WIHSMMIYJSATTO-OAHLLOKOSA-N 2 1 349.504 1.274 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000111823133 220198407 /nfs/dbraw/zinc/19/84/07/220198407.db2.gz JKZAJOICTFIEMK-INIZCTEOSA-N 2 1 349.479 1.602 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000111823133 220198411 /nfs/dbraw/zinc/19/84/11/220198411.db2.gz JKZAJOICTFIEMK-INIZCTEOSA-N 2 1 349.479 1.602 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000111823764 220199339 /nfs/dbraw/zinc/19/93/39/220199339.db2.gz XUDJERAGCLPGIX-UHFFFAOYSA-N 2 1 348.491 1.612 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000238152318 139069724 /nfs/dbraw/zinc/06/97/24/139069724.db2.gz JENCZLBHMGQTEH-AEFFLSMTSA-N 2 1 331.460 1.393 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000238152318 139069725 /nfs/dbraw/zinc/06/97/25/139069725.db2.gz JENCZLBHMGQTEH-AEFFLSMTSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)C[NH+]1CCOCC1 ZINC000246016824 139092440 /nfs/dbraw/zinc/09/24/40/139092440.db2.gz UOMDKSPJQUFGIL-BRWVUGGUSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)C[NH+]1CCOCC1 ZINC000246016824 139092441 /nfs/dbraw/zinc/09/24/41/139092441.db2.gz UOMDKSPJQUFGIL-BRWVUGGUSA-N 2 1 338.496 1.080 20 0 EDADMP CCC[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000246674160 139117258 /nfs/dbraw/zinc/11/72/58/139117258.db2.gz XINHGYIDAFHOJZ-ROUUACIJSA-N 2 1 339.524 1.972 20 0 EDADMP CCC[C@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000246674160 139117259 /nfs/dbraw/zinc/11/72/59/139117259.db2.gz XINHGYIDAFHOJZ-ROUUACIJSA-N 2 1 339.524 1.972 20 0 EDADMP CCC[C@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000246674160 139117260 /nfs/dbraw/zinc/11/72/60/139117260.db2.gz XINHGYIDAFHOJZ-ROUUACIJSA-N 2 1 339.524 1.972 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000247068522 139133932 /nfs/dbraw/zinc/13/39/32/139133932.db2.gz WLUJSKXXDXTOAR-FHLIZLRMSA-N 2 1 349.475 1.799 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000247068522 139133933 /nfs/dbraw/zinc/13/39/33/139133933.db2.gz WLUJSKXXDXTOAR-FHLIZLRMSA-N 2 1 349.475 1.799 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000247068522 139133934 /nfs/dbraw/zinc/13/39/34/139133934.db2.gz WLUJSKXXDXTOAR-FHLIZLRMSA-N 2 1 349.475 1.799 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000343825526 284618621 /nfs/dbraw/zinc/61/86/21/284618621.db2.gz HPZPCTKOHSHEDU-HNNXBMFYSA-N 2 1 331.526 1.241 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CCCCC2)[C@@H](C)C1 ZINC000247240200 139141810 /nfs/dbraw/zinc/14/18/10/139141810.db2.gz YWHRQCBGDYLNGH-IRXDYDNUSA-N 2 1 325.497 1.726 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCCCC2)[C@@H](C)C1 ZINC000247240200 139141811 /nfs/dbraw/zinc/14/18/11/139141811.db2.gz YWHRQCBGDYLNGH-IRXDYDNUSA-N 2 1 325.497 1.726 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)c2C1 ZINC000415386510 304211363 /nfs/dbraw/zinc/21/13/63/304211363.db2.gz WUVSKVYUKKWZKO-AWEZNQCLSA-N 2 1 330.432 1.219 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)c2C1 ZINC000415386510 304211366 /nfs/dbraw/zinc/21/13/66/304211366.db2.gz WUVSKVYUKKWZKO-AWEZNQCLSA-N 2 1 330.432 1.219 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248644134 139169887 /nfs/dbraw/zinc/16/98/87/139169887.db2.gz RXKOFHATTQRPQM-YESZJQIVSA-N 2 1 340.512 1.203 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OC)cc3OC)C2)CC1 ZINC000093132622 218196327 /nfs/dbraw/zinc/19/63/27/218196327.db2.gz HPFCGTVUHPIJRN-QGZVFWFLSA-N 2 1 333.476 1.916 20 0 EDADMP CNc1cc(N2CCC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ncn1 ZINC000249042508 139183886 /nfs/dbraw/zinc/18/38/86/139183886.db2.gz VFZHWTJJBKZBCN-WTXIUTQJSA-N 2 1 330.480 1.702 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000249857796 139199485 /nfs/dbraw/zinc/19/94/85/139199485.db2.gz DUCMESCGBLNTOT-KBPBESRZSA-N 2 1 347.463 1.828 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@@H](CNc2ccccn2)C1 ZINC000249857796 139199486 /nfs/dbraw/zinc/19/94/86/139199486.db2.gz DUCMESCGBLNTOT-KBPBESRZSA-N 2 1 347.463 1.828 20 0 EDADMP C[C@H](NC(=O)C1(C[NH3+])CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261560689 139209067 /nfs/dbraw/zinc/20/90/67/139209067.db2.gz FKEHHKMKEHTCSW-FUHWJXTLSA-N 2 1 345.487 1.769 20 0 EDADMP C[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000261703109 139219051 /nfs/dbraw/zinc/21/90/51/139219051.db2.gz IGACDXKAVPKHOE-KBXCAEBGSA-N 2 1 331.460 1.303 20 0 EDADMP Fc1ccc(-c2nc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)co2)cc1 ZINC000261737625 139222031 /nfs/dbraw/zinc/22/20/31/139222031.db2.gz SKTQPJYFXJUGBK-KRWDZBQOSA-N 2 1 330.407 1.960 20 0 EDADMP Fc1ccc(-c2nc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)co2)cc1 ZINC000261737625 139222032 /nfs/dbraw/zinc/22/20/32/139222032.db2.gz SKTQPJYFXJUGBK-KRWDZBQOSA-N 2 1 330.407 1.960 20 0 EDADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261781235 139225471 /nfs/dbraw/zinc/22/54/71/139225471.db2.gz XXHHCYJDYACABJ-NVXWUHKLSA-N 2 1 333.480 1.117 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000261820397 139229005 /nfs/dbraw/zinc/22/90/05/139229005.db2.gz WPNDFTWLFPHPCA-ZDUSSCGKSA-N 2 1 329.366 1.992 20 0 EDADMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000261854524 139231699 /nfs/dbraw/zinc/23/16/99/139231699.db2.gz JSVRJGLIRXZRBZ-CGTJXYLNSA-N 2 1 326.444 1.781 20 0 EDADMP COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261869909 139232866 /nfs/dbraw/zinc/23/28/66/139232866.db2.gz SWOULDXTDAXDND-KUHUBIRLSA-N 2 1 349.475 1.422 20 0 EDADMP COc1ccc(CCNC(=O)[C@@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261869909 139232867 /nfs/dbraw/zinc/23/28/67/139232867.db2.gz SWOULDXTDAXDND-KUHUBIRLSA-N 2 1 349.475 1.422 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261877961 139233345 /nfs/dbraw/zinc/23/33/45/139233345.db2.gz TWHPSEWCKZFNNS-NXHRZFHOSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261877961 139233346 /nfs/dbraw/zinc/23/33/46/139233346.db2.gz TWHPSEWCKZFNNS-NXHRZFHOSA-N 2 1 331.460 1.473 20 0 EDADMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc(N2CCCC2)n1 ZINC000261887927 139234043 /nfs/dbraw/zinc/23/40/43/139234043.db2.gz GAUWFCAROBUGJJ-KSZLIROESA-N 2 1 330.476 1.929 20 0 EDADMP CC1(C)CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@H]1[NH3+] ZINC000261935660 139238396 /nfs/dbraw/zinc/23/83/96/139238396.db2.gz IYGLWAJKLUPVDJ-QZTJIDSGSA-N 2 1 345.487 1.863 20 0 EDADMP CC1(C)CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@H]1[NH3+] ZINC000261935660 139238397 /nfs/dbraw/zinc/23/83/97/139238397.db2.gz IYGLWAJKLUPVDJ-QZTJIDSGSA-N 2 1 345.487 1.863 20 0 EDADMP COc1ccc(CN2CCC[N@@H+](CC3CC[NH2+]CC3)CC2=O)cc1 ZINC000261995391 139242630 /nfs/dbraw/zinc/24/26/30/139242630.db2.gz STLZLHAYYZVLEA-UHFFFAOYSA-N 2 1 331.460 1.729 20 0 EDADMP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262040774 139246082 /nfs/dbraw/zinc/24/60/82/139246082.db2.gz TZQAYPQOEIAVDN-BBRMVZONSA-N 2 1 337.851 1.582 20 0 EDADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262146986 139254982 /nfs/dbraw/zinc/25/49/82/139254982.db2.gz QOTCWNJBPIPPEQ-PXAZEXFGSA-N 2 1 336.386 1.437 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)c1 ZINC000416014257 251046734 /nfs/dbraw/zinc/04/67/34/251046734.db2.gz VDKMNYRAVIFTBZ-LBPRGKRZSA-N 2 1 345.369 1.501 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416215205 251058490 /nfs/dbraw/zinc/05/84/90/251058490.db2.gz NGBOQOVPXHSOEU-SJLPKXTDSA-N 2 1 347.503 1.983 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417001686 251127138 /nfs/dbraw/zinc/12/71/38/251127138.db2.gz FDOCOHXWSRAYDR-FUHWJXTLSA-N 2 1 328.460 1.296 20 0 EDADMP CC(C)(CNC(=O)N1CCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000417089059 251141825 /nfs/dbraw/zinc/14/18/25/251141825.db2.gz MWIOWUFYFIGSDG-QGZVFWFLSA-N 2 1 330.476 1.956 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000417097626 251142747 /nfs/dbraw/zinc/14/27/47/251142747.db2.gz ASUTWQKLJQKCER-ARFHVFGLSA-N 2 1 348.491 1.832 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000417098419 251143517 /nfs/dbraw/zinc/14/35/17/251143517.db2.gz BQTROVUZVMMKGZ-PMPSAXMXSA-N 2 1 348.491 1.690 20 0 EDADMP [NH3+][C@H]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000417271574 251151441 /nfs/dbraw/zinc/15/14/41/251151441.db2.gz POQXIDAUYRSWCK-ZFWWWQNUSA-N 2 1 336.505 1.923 20 0 EDADMP [NH3+][C@H]1CCC[C@H](CNC(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000417271574 251151444 /nfs/dbraw/zinc/15/14/44/251151444.db2.gz POQXIDAUYRSWCK-ZFWWWQNUSA-N 2 1 336.505 1.923 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)N[C@@H](CC[N@@H+](C)CCOC)c2ccccc2)C1 ZINC000417521556 251182667 /nfs/dbraw/zinc/18/26/67/251182667.db2.gz ZHMVECZSZKXTBG-ROUUACIJSA-N 2 1 348.491 1.699 20 0 EDADMP COCC1(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000262382381 139274811 /nfs/dbraw/zinc/27/48/11/139274811.db2.gz NZRYTMWQYAISIY-FUHWJXTLSA-N 2 1 345.487 1.782 20 0 EDADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CCCCC1 ZINC000262400658 139276301 /nfs/dbraw/zinc/27/63/01/139276301.db2.gz OEIWTJFHIPASRM-RTBURBONSA-N 2 1 345.487 1.790 20 0 EDADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000417650729 251214104 /nfs/dbraw/zinc/21/41/04/251214104.db2.gz NSJIEJXYIFXSRQ-BXUZGUMPSA-N 2 1 344.381 1.926 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)CCN1 ZINC000417662522 251216913 /nfs/dbraw/zinc/21/69/13/251216913.db2.gz SDZBEALARHEGPC-FZMZJTMJSA-N 2 1 326.391 1.571 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000417608748 251204897 /nfs/dbraw/zinc/20/48/97/251204897.db2.gz JFQAPXGIQMTFOM-OAHLLOKOSA-N 2 1 340.537 1.455 20 0 EDADMP [NH3+]CCC[C@H](NC(=O)NCC[NH+]1CCSCC1)c1ccccc1 ZINC000417610927 251205372 /nfs/dbraw/zinc/20/53/72/251205372.db2.gz OHYJAOUHXPATKL-INIZCTEOSA-N 2 1 336.505 1.815 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417727348 251244053 /nfs/dbraw/zinc/24/40/53/251244053.db2.gz JBUHNBQHOJMKCA-FUHWJXTLSA-N 2 1 345.491 1.330 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1cccs1 ZINC000417731067 251247388 /nfs/dbraw/zinc/24/73/88/251247388.db2.gz FGTZJXVKQSBVSP-LJIGWXMPSA-N 2 1 348.516 1.992 20 0 EDADMP C[C@@H](C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H](C)[NH3+] ZINC000262487543 139281914 /nfs/dbraw/zinc/28/19/14/139281914.db2.gz VORLSEQGTGFMID-KGLIPLIRSA-N 2 1 338.883 1.562 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1)[C@H](C)[NH3+] ZINC000262503206 139282849 /nfs/dbraw/zinc/28/28/49/139282849.db2.gz AOEWPFCZJAWEDR-CABCVRRESA-N 2 1 334.464 1.235 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)C[N@H+]1Cc1ccccc1 ZINC000417886786 251313903 /nfs/dbraw/zinc/31/39/03/251313903.db2.gz ZFPIYKMVNOGPFU-VHDGCEQUSA-N 2 1 340.418 1.931 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)CCC(F)(F)F ZINC000418077598 251321140 /nfs/dbraw/zinc/32/11/40/251321140.db2.gz MEDAGFLTCSRSIR-QWHCGFSZSA-N 2 1 336.402 1.654 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000418434001 251370631 /nfs/dbraw/zinc/37/06/31/251370631.db2.gz DXCHINMIDQRHOQ-UHFFFAOYSA-N 2 1 327.517 1.171 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000418434001 251370633 /nfs/dbraw/zinc/37/06/33/251370633.db2.gz DXCHINMIDQRHOQ-UHFFFAOYSA-N 2 1 327.517 1.171 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000262529557 139284496 /nfs/dbraw/zinc/28/44/96/139284496.db2.gz MSIDWOQWCQAOED-HOTGVXAUSA-N 2 1 332.492 1.424 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418709771 251391913 /nfs/dbraw/zinc/39/19/13/251391913.db2.gz DJDFYBYJOYCMIK-CVEARBPZSA-N 2 1 327.517 1.029 20 0 EDADMP CN(CCCN(C)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)CC[NH+](C)C ZINC000418709771 251391918 /nfs/dbraw/zinc/39/19/18/251391918.db2.gz DJDFYBYJOYCMIK-CVEARBPZSA-N 2 1 327.517 1.029 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1CCOC ZINC000418726371 251398422 /nfs/dbraw/zinc/39/84/22/251398422.db2.gz CRMJHYQYVAGIIE-ARFHVFGLSA-N 2 1 326.485 1.256 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC[N@H+]1C ZINC000418641367 251382352 /nfs/dbraw/zinc/38/23/52/251382352.db2.gz SCLVXRLAVBGLQY-MSOLQXFVSA-N 2 1 330.476 1.855 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000262592156 139288936 /nfs/dbraw/zinc/28/89/36/139288936.db2.gz RYWJBSCWIGMEAH-WMZOPIPTSA-N 2 1 330.476 1.091 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422875018 252008208 /nfs/dbraw/zinc/00/82/08/252008208.db2.gz BHLOAUGWCIDKTM-BZSNNMDCSA-N 2 1 330.476 1.664 20 0 EDADMP O=C(NCCC[NH2+][C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000422862282 252002898 /nfs/dbraw/zinc/00/28/98/252002898.db2.gz PPVNYBYLCGUUHO-ZDUSSCGKSA-N 2 1 326.238 1.521 20 0 EDADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000423150012 252038176 /nfs/dbraw/zinc/03/81/76/252038176.db2.gz YKLYNIHMXYSQIB-CHWSQXEVSA-N 2 1 328.254 1.860 20 0 EDADMP Cc1ccc(NC(=O)C2(C)C[NH2+]C2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000423354308 252051358 /nfs/dbraw/zinc/05/13/58/252051358.db2.gz CQPVBQXSUGSTBQ-UHFFFAOYSA-N 2 1 344.459 1.967 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000423785854 252071983 /nfs/dbraw/zinc/07/19/83/252071983.db2.gz AJQNKPGQHWUORB-QGZVFWFLSA-N 2 1 333.476 1.373 20 0 EDADMP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423515391 252058366 /nfs/dbraw/zinc/05/83/66/252058366.db2.gz NDFHCNZSAHWGHC-XRXFAXGQSA-N 2 1 342.531 1.923 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424215524 252165933 /nfs/dbraw/zinc/16/59/33/252165933.db2.gz GFJFYWNWDBWBKQ-SPUZQDLCSA-N 2 1 329.444 1.096 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424215524 252165936 /nfs/dbraw/zinc/16/59/36/252165936.db2.gz GFJFYWNWDBWBKQ-SPUZQDLCSA-N 2 1 329.444 1.096 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NCCc1ccc(F)cc1)CC[NH2+]CC2 ZINC000424284250 252190551 /nfs/dbraw/zinc/19/05/51/252190551.db2.gz DFZRAPBMDMXGPU-OAHLLOKOSA-N 2 1 333.451 1.948 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424431768 252228053 /nfs/dbraw/zinc/22/80/53/252228053.db2.gz AJYDWWCMOKSDOO-UHFFFAOYSA-N 2 1 347.507 1.993 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@H]3C)c2C1 ZINC000415621407 304240678 /nfs/dbraw/zinc/24/06/78/304240678.db2.gz JXTLSVOEBIREPT-DYVFJYSZSA-N 2 1 344.459 1.465 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@H]3C)c2C1 ZINC000415621407 304240680 /nfs/dbraw/zinc/24/06/80/304240680.db2.gz JXTLSVOEBIREPT-DYVFJYSZSA-N 2 1 344.459 1.465 20 0 EDADMP C[C@H](CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000263256800 139331382 /nfs/dbraw/zinc/33/13/82/139331382.db2.gz LDMRLTPKUSKLKU-HZPDHXFCSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112274068 220280645 /nfs/dbraw/zinc/28/06/45/220280645.db2.gz QWTSEJKPSULZLD-MRXNPFEDSA-N 2 1 345.491 1.438 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000112308771 220299009 /nfs/dbraw/zinc/29/90/09/220299009.db2.gz NJEQXXLEQAMNFO-UHFFFAOYSA-N 2 1 346.519 1.652 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000112308771 220299015 /nfs/dbraw/zinc/29/90/15/220299015.db2.gz NJEQXXLEQAMNFO-UHFFFAOYSA-N 2 1 346.519 1.652 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000112436190 220326673 /nfs/dbraw/zinc/32/66/73/220326673.db2.gz JRJNQAOQMRZLMQ-HZPDHXFCSA-N 2 1 328.501 1.517 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000112743479 220393687 /nfs/dbraw/zinc/39/36/87/220393687.db2.gz OJGWWXSEBWHWKU-UHFFFAOYSA-N 2 1 339.528 1.141 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000487557458 255032544 /nfs/dbraw/zinc/03/25/44/255032544.db2.gz JVOQBJBHDFIFMC-KANFNMMFSA-N 2 1 327.472 1.775 20 0 EDADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000487557458 255032546 /nfs/dbraw/zinc/03/25/46/255032546.db2.gz JVOQBJBHDFIFMC-KANFNMMFSA-N 2 1 327.472 1.775 20 0 EDADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000487557458 255032547 /nfs/dbraw/zinc/03/25/47/255032547.db2.gz JVOQBJBHDFIFMC-KANFNMMFSA-N 2 1 327.472 1.775 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCC(C)(C)O1 ZINC000345716981 285247177 /nfs/dbraw/zinc/24/71/77/285247177.db2.gz GTSHMYGBHAQQBI-CVEARBPZSA-N 2 1 325.497 1.819 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000154432722 224252354 /nfs/dbraw/zinc/25/23/54/224252354.db2.gz MRUXGJOZTKQDLC-WCXIOVBPSA-N 2 1 327.538 1.513 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCN2CCOC2=O)[C@H](C)C1 ZINC000493473650 255210685 /nfs/dbraw/zinc/21/06/85/255210685.db2.gz PNCJINJVPUYTPR-CVEARBPZSA-N 2 1 327.469 1.555 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCCC1 ZINC000494185870 255241448 /nfs/dbraw/zinc/24/14/48/255241448.db2.gz NKNVMXRNNBSDSA-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC000494872907 255263921 /nfs/dbraw/zinc/26/39/21/255263921.db2.gz VUWSNIVIRFKKJY-INIZCTEOSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC000494872907 255263922 /nfs/dbraw/zinc/26/39/22/255263922.db2.gz VUWSNIVIRFKKJY-INIZCTEOSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC000494872907 255263923 /nfs/dbraw/zinc/26/39/23/255263923.db2.gz VUWSNIVIRFKKJY-INIZCTEOSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000118774442 221180318 /nfs/dbraw/zinc/18/03/18/221180318.db2.gz VOHGHHCLXWIJDX-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000264308299 139395867 /nfs/dbraw/zinc/39/58/67/139395867.db2.gz UGCREHMRECIWTJ-UHFFFAOYSA-N 2 1 346.519 1.896 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2ccccc2C[NH2+]C)CC[N@H+]1CCOC ZINC000415914138 304285184 /nfs/dbraw/zinc/28/51/84/304285184.db2.gz UVNUHMKNZSMUJO-INIZCTEOSA-N 2 1 334.464 1.981 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2cccc(C[NH2+]C)c2)CC[N@H+]1CCOC ZINC000415924205 304285543 /nfs/dbraw/zinc/28/55/43/304285543.db2.gz YBKMRSCBGRZMFA-QGZVFWFLSA-N 2 1 334.464 1.981 20 0 EDADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1O ZINC000270847047 140182020 /nfs/dbraw/zinc/18/20/20/140182020.db2.gz GBTJILLWDNBDPR-NXWXRZEISA-N 2 1 345.487 1.468 20 0 EDADMP CC[C@@H]1C[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1O ZINC000270847047 140182021 /nfs/dbraw/zinc/18/20/21/140182021.db2.gz GBTJILLWDNBDPR-NXWXRZEISA-N 2 1 345.487 1.468 20 0 EDADMP CC[C@@H]1C[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1O ZINC000270847047 140182023 /nfs/dbraw/zinc/18/20/23/140182023.db2.gz GBTJILLWDNBDPR-NXWXRZEISA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000271176268 140251284 /nfs/dbraw/zinc/25/12/84/140251284.db2.gz YBHLRFRVVGTJBM-QGZVFWFLSA-N 2 1 345.487 1.519 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C2 ZINC000332639107 141220626 /nfs/dbraw/zinc/22/06/26/141220626.db2.gz QPIBLRPQNJANEO-DZGCQCFKSA-N 2 1 334.464 1.058 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C2 ZINC000332639107 141220627 /nfs/dbraw/zinc/22/06/27/141220627.db2.gz QPIBLRPQNJANEO-DZGCQCFKSA-N 2 1 334.464 1.058 20 0 EDADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000332931160 141245420 /nfs/dbraw/zinc/24/54/20/141245420.db2.gz VSAOBJSTXVCXBD-BZUAXINKSA-N 2 1 333.480 1.865 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000332931160 141245421 /nfs/dbraw/zinc/24/54/21/141245421.db2.gz VSAOBJSTXVCXBD-BZUAXINKSA-N 2 1 333.480 1.865 20 0 EDADMP C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333373055 141307470 /nfs/dbraw/zinc/30/74/70/141307470.db2.gz FZCKIEPSSPHVHU-YOEHRIQHSA-N 2 1 345.491 1.818 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333475970 141323705 /nfs/dbraw/zinc/32/37/05/141323705.db2.gz BLZNNUWMPFHPIG-UXLLHSPISA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)C[NH+]1CCOCC1 ZINC000333597605 141342529 /nfs/dbraw/zinc/34/25/29/141342529.db2.gz PFVHLLCMAAIXEW-RDJZCZTQSA-N 2 1 338.496 1.128 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000333806194 141385075 /nfs/dbraw/zinc/38/50/75/141385075.db2.gz IOIAFQBNYFEIGN-ZMSDIMECSA-N 2 1 338.496 1.399 20 0 EDADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)N1CC(=O)Nc2ccccc21 ZINC000333827107 141389241 /nfs/dbraw/zinc/38/92/41/141389241.db2.gz IRQSGQAZRXVARJ-OAHLLOKOSA-N 2 1 342.443 1.436 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000338037539 141721687 /nfs/dbraw/zinc/72/16/87/141721687.db2.gz DNNUSZNXHFJMAE-UHFFFAOYSA-N 2 1 337.468 1.382 20 0 EDADMP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cc[nH]c(=O)c1 ZINC000339457658 142051082 /nfs/dbraw/zinc/05/10/82/142051082.db2.gz GKBQCZOXXBYSNS-ZDUSSCGKSA-N 2 1 328.420 1.180 20 0 EDADMP C[C@H](C(=O)NCC1CC[NH+](CCO)CC1)[N@@H+](C)Cc1ccccc1 ZINC000340278803 142328299 /nfs/dbraw/zinc/32/82/99/142328299.db2.gz LUSVISSYWWPWBJ-MRXNPFEDSA-N 2 1 333.476 1.327 20 0 EDADMP OC[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)O1 ZINC000340417625 142384494 /nfs/dbraw/zinc/38/44/94/142384494.db2.gz FRABKDGMALTZTQ-OALUTQOASA-N 2 1 336.451 1.962 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000345112334 143051907 /nfs/dbraw/zinc/05/19/07/143051907.db2.gz KTTPQKGQJWNUFH-HNNXBMFYSA-N 2 1 334.464 1.980 20 0 EDADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000345112334 143051908 /nfs/dbraw/zinc/05/19/08/143051908.db2.gz KTTPQKGQJWNUFH-HNNXBMFYSA-N 2 1 334.464 1.980 20 0 EDADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000345112334 143051909 /nfs/dbraw/zinc/05/19/09/143051909.db2.gz KTTPQKGQJWNUFH-HNNXBMFYSA-N 2 1 334.464 1.980 20 0 EDADMP CO[C@@H]1C[C@@H](C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)N(C)C1 ZINC000345148597 143057655 /nfs/dbraw/zinc/05/76/55/143057655.db2.gz MPCVOJROBCBANU-ZWKOTPCHSA-N 2 1 326.529 1.053 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)CCCN2CC[NH+](C(C)C)CC2)[N@H+](C)C1 ZINC000345148597 143057656 /nfs/dbraw/zinc/05/76/56/143057656.db2.gz MPCVOJROBCBANU-ZWKOTPCHSA-N 2 1 326.529 1.053 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)CCCN2CC[NH+](C(C)C)CC2)[N@@H+](C)C1 ZINC000345148597 143057657 /nfs/dbraw/zinc/05/76/57/143057657.db2.gz MPCVOJROBCBANU-ZWKOTPCHSA-N 2 1 326.529 1.053 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC000345752200 143128890 /nfs/dbraw/zinc/12/88/90/143128890.db2.gz FOUIHGPAMFAQRD-ULQDDVLXSA-N 2 1 340.512 1.467 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC000345752200 143128891 /nfs/dbraw/zinc/12/88/91/143128891.db2.gz FOUIHGPAMFAQRD-ULQDDVLXSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CCC[N@H+]1C ZINC000345788086 143133658 /nfs/dbraw/zinc/13/36/58/143133658.db2.gz QVVBHIXIXMOCMJ-RDJZCZTQSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CCC[NH+]1C ZINC000345788086 143133659 /nfs/dbraw/zinc/13/36/59/143133659.db2.gz QVVBHIXIXMOCMJ-RDJZCZTQSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CCC[NH+]1C ZINC000345788086 143133660 /nfs/dbraw/zinc/13/36/60/143133660.db2.gz QVVBHIXIXMOCMJ-RDJZCZTQSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000345788086 143133661 /nfs/dbraw/zinc/13/36/61/143133661.db2.gz QVVBHIXIXMOCMJ-RDJZCZTQSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000345788086 143133662 /nfs/dbraw/zinc/13/36/62/143133662.db2.gz QVVBHIXIXMOCMJ-RDJZCZTQSA-N 2 1 339.528 1.137 20 0 EDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000346888828 143256683 /nfs/dbraw/zinc/25/66/83/143256683.db2.gz UKWFBGBCUYKTJE-MAUKXSAKSA-N 2 1 342.447 1.409 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347695527 143350816 /nfs/dbraw/zinc/35/08/16/143350816.db2.gz BQPYEKHQNYVZAX-IXDOHACOSA-N 2 1 325.497 1.439 20 0 EDADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000348021199 143392192 /nfs/dbraw/zinc/39/21/92/143392192.db2.gz QVDJPMHKCUMXJS-HOTGVXAUSA-N 2 1 340.512 1.166 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NCCCN1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000572839940 306600495 /nfs/dbraw/zinc/60/04/95/306600495.db2.gz DVBDMANVXNNLOA-MRXNPFEDSA-N 2 1 338.883 1.354 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000416845418 304351416 /nfs/dbraw/zinc/35/14/16/304351416.db2.gz RSAPHKYCVUMQFO-FGTMMUONSA-N 2 1 328.460 1.512 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000369884995 155218634 /nfs/dbraw/zinc/21/86/34/155218634.db2.gz VFGJOSJCFCFFLH-HNNXBMFYSA-N 2 1 333.480 1.865 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000352778076 149162300 /nfs/dbraw/zinc/16/23/00/149162300.db2.gz FGNSROJDIQCGNE-DLBZAZTESA-N 2 1 345.491 1.145 20 0 EDADMP CSC[C@@H](O)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352887237 149204008 /nfs/dbraw/zinc/20/40/08/149204008.db2.gz RWGIPLCIAOZUEU-OALUTQOASA-N 2 1 349.544 1.602 20 0 EDADMP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1CCN(CCO)CC1 ZINC000353353659 149376831 /nfs/dbraw/zinc/37/68/31/149376831.db2.gz NTDDRFYQPBIUBJ-UHFFFAOYSA-N 2 1 340.851 2.000 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2c3ccccc3CC[C@@H]2[NH+](C)C)C1 ZINC000369929770 155238954 /nfs/dbraw/zinc/23/89/54/155238954.db2.gz ZUCYQPYZQUERGZ-OKZBNKHCSA-N 2 1 331.460 1.441 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2c3ccccc3CC[C@@H]2[NH+](C)C)C1 ZINC000369929770 155238958 /nfs/dbraw/zinc/23/89/58/155238958.db2.gz ZUCYQPYZQUERGZ-OKZBNKHCSA-N 2 1 331.460 1.441 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000416971414 304357778 /nfs/dbraw/zinc/35/77/78/304357778.db2.gz GVMDWEXIYHGUTO-UHFFFAOYSA-N 2 1 340.418 1.587 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(CC[NH3+])CCO ZINC000416972084 304358299 /nfs/dbraw/zinc/35/82/99/304358299.db2.gz HUZONBGTNQIUDB-MRXNPFEDSA-N 2 1 348.491 1.524 20 0 EDADMP CNS(=O)(=O)CCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354880710 150009360 /nfs/dbraw/zinc/00/93/60/150009360.db2.gz TXPGLRNWJJNJQT-UHFFFAOYSA-N 2 1 340.493 1.169 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000355481038 150285019 /nfs/dbraw/zinc/28/50/19/150285019.db2.gz MCRBZCFLJQKFEB-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000355481038 150285022 /nfs/dbraw/zinc/28/50/22/150285022.db2.gz MCRBZCFLJQKFEB-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H](C)C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000417039897 304364680 /nfs/dbraw/zinc/36/46/80/304364680.db2.gz KQHWULKSTGWSRR-JKSUJKDBSA-N 2 1 333.480 1.091 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417039378 304364858 /nfs/dbraw/zinc/36/48/58/304364858.db2.gz KJENIQNFWVHRNC-SJORKVTESA-N 2 1 345.491 1.187 20 0 EDADMP C[C@H]1CN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000417044353 304365419 /nfs/dbraw/zinc/36/54/19/304365419.db2.gz XWBBXCPNAJZYMN-YJBOKZPZSA-N 2 1 330.476 1.814 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000417064197 304368338 /nfs/dbraw/zinc/36/83/38/304368338.db2.gz ABYKRWHITJELEE-VSZNYVQBSA-N 2 1 328.460 1.750 20 0 EDADMP C[C@H]1C[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000357390090 151016099 /nfs/dbraw/zinc/01/60/99/151016099.db2.gz KLINHHUKXYUFHF-PKOBYXMFSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H]1C[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000357390090 151016101 /nfs/dbraw/zinc/01/61/01/151016101.db2.gz KLINHHUKXYUFHF-PKOBYXMFSA-N 2 1 344.503 1.403 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000417064200 304368375 /nfs/dbraw/zinc/36/83/75/304368375.db2.gz ABYKRWHITJELEE-XLAORIBOSA-N 2 1 328.460 1.750 20 0 EDADMP CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000357553898 151065990 /nfs/dbraw/zinc/06/59/90/151065990.db2.gz PTJZFZSTWGCAOE-GVDBMIGSSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000357553898 151065991 /nfs/dbraw/zinc/06/59/91/151065991.db2.gz PTJZFZSTWGCAOE-GVDBMIGSSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000357553898 151065992 /nfs/dbraw/zinc/06/59/92/151065992.db2.gz PTJZFZSTWGCAOE-GVDBMIGSSA-N 2 1 325.497 1.722 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000358066516 151255727 /nfs/dbraw/zinc/25/57/27/151255727.db2.gz OBMOZKGLPYSAAW-SFHVURJKSA-N 2 1 349.500 1.032 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000358125609 151280537 /nfs/dbraw/zinc/28/05/37/151280537.db2.gz AATOELIHFSAUSW-JKSUJKDBSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000358125609 151280538 /nfs/dbraw/zinc/28/05/38/151280538.db2.gz AATOELIHFSAUSW-JKSUJKDBSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000358125609 151280543 /nfs/dbraw/zinc/28/05/43/151280543.db2.gz AATOELIHFSAUSW-JKSUJKDBSA-N 2 1 340.512 1.610 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C ZINC000358165734 151293301 /nfs/dbraw/zinc/29/33/01/151293301.db2.gz OMJHXJOYECRTIZ-JYJNAYRXSA-N 2 1 328.501 1.467 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000358165734 151293302 /nfs/dbraw/zinc/29/33/02/151293302.db2.gz OMJHXJOYECRTIZ-JYJNAYRXSA-N 2 1 328.501 1.467 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000358165734 151293303 /nfs/dbraw/zinc/29/33/03/151293303.db2.gz OMJHXJOYECRTIZ-JYJNAYRXSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000417101458 304372264 /nfs/dbraw/zinc/37/22/64/304372264.db2.gz HAFHFDXKSXJZPB-DAYGRLMNSA-N 2 1 346.475 1.538 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000417101458 304372266 /nfs/dbraw/zinc/37/22/66/304372266.db2.gz HAFHFDXKSXJZPB-DAYGRLMNSA-N 2 1 346.475 1.538 20 0 EDADMP COCC[NH2+]CCNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000417120475 304374623 /nfs/dbraw/zinc/37/46/23/304374623.db2.gz VKFWHIQHRQZIOB-ZDUSSCGKSA-N 2 1 340.493 1.030 20 0 EDADMP COCC[NH2+]CCNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000417120475 304374625 /nfs/dbraw/zinc/37/46/25/304374625.db2.gz VKFWHIQHRQZIOB-ZDUSSCGKSA-N 2 1 340.493 1.030 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360748576 152184393 /nfs/dbraw/zinc/18/43/93/152184393.db2.gz WZGQYPLGMXPOOV-IJEWVQPXSA-N 2 1 326.510 1.302 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000361111019 152308878 /nfs/dbraw/zinc/30/88/78/152308878.db2.gz IPIMQIFIYLMDEH-MSOLQXFVSA-N 2 1 346.523 1.309 20 0 EDADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1(C)C ZINC000361237006 152342889 /nfs/dbraw/zinc/34/28/89/152342889.db2.gz HYOZFICEKWDEPV-ARFHVFGLSA-N 2 1 325.497 1.756 20 0 EDADMP COCc1noc([C@H](C)[NH2+][C@@H]2CCCN(c3cc(C)nc(C)n3)C2)n1 ZINC000363650881 153022996 /nfs/dbraw/zinc/02/29/96/153022996.db2.gz JHBTTZISUQFCCA-GXTWGEPZSA-N 2 1 346.435 1.942 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C[C@H]1N1CCOCC1 ZINC000363751943 153046803 /nfs/dbraw/zinc/04/68/03/153046803.db2.gz BANZRDOLDOYLOW-BFYDXBDKSA-N 2 1 338.496 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000363751943 153046804 /nfs/dbraw/zinc/04/68/04/153046804.db2.gz BANZRDOLDOYLOW-BFYDXBDKSA-N 2 1 338.496 1.221 20 0 EDADMP CCOC(=O)[C@H](CC)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364661732 153297151 /nfs/dbraw/zinc/29/71/51/153297151.db2.gz WXTSAOVAWCUFOU-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCCn1nc(C)c(CN2CCC(N3CCN(C)CC3=O)CC2)c1C ZINC000365012588 153398114 /nfs/dbraw/zinc/39/81/14/153398114.db2.gz AOBPHNMYJQSRNK-UHFFFAOYSA-N 2 1 347.507 1.648 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000417242438 304387301 /nfs/dbraw/zinc/38/73/01/304387301.db2.gz UKPJHYNUGGCZFS-STQMWFEESA-N 2 1 332.439 1.793 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@H](C[NH3+])C2)cc1F ZINC000417279299 304388823 /nfs/dbraw/zinc/38/88/23/304388823.db2.gz LPVVMQWGOUGSSW-CQSZACIVSA-N 2 1 331.395 1.810 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000367625418 154203887 /nfs/dbraw/zinc/20/38/87/154203887.db2.gz XYVWPAUDOPJHJF-SQNIBIBYSA-N 2 1 330.476 1.881 20 0 EDADMP Cc1nccc(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)n1 ZINC000367958861 154344202 /nfs/dbraw/zinc/34/42/02/154344202.db2.gz TYCNPOYCCFEXMS-AWEZNQCLSA-N 2 1 326.404 1.208 20 0 EDADMP C[C@@H]1CN2CCCC[C@H]2CN1C(=O)NCc1cccnc1N(C)C ZINC000369421446 155026025 /nfs/dbraw/zinc/02/60/25/155026025.db2.gz OBEBEGLTUKSOCU-ZBFHGGJFSA-N 2 1 331.464 1.916 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369617403 155112747 /nfs/dbraw/zinc/11/27/47/155112747.db2.gz NOVXOYAAJLCAFR-KBPBESRZSA-N 2 1 335.452 1.248 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369617403 155112752 /nfs/dbraw/zinc/11/27/52/155112752.db2.gz NOVXOYAAJLCAFR-KBPBESRZSA-N 2 1 335.452 1.248 20 0 EDADMP O[C@H](COCc1ccccc1)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369656508 155121987 /nfs/dbraw/zinc/12/19/87/155121987.db2.gz KMZTVMXLPDSGMF-WCIQWLHISA-N 2 1 330.472 1.980 20 0 EDADMP O[C@H](COCc1ccccc1)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369656508 155121990 /nfs/dbraw/zinc/12/19/90/155121990.db2.gz KMZTVMXLPDSGMF-WCIQWLHISA-N 2 1 330.472 1.980 20 0 EDADMP O[C@H](COCc1ccccc1)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369656508 155121993 /nfs/dbraw/zinc/12/19/93/155121993.db2.gz KMZTVMXLPDSGMF-WCIQWLHISA-N 2 1 330.472 1.980 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369658424 155122912 /nfs/dbraw/zinc/12/29/12/155122912.db2.gz DGBYYMUMSUJZQT-UOVPBQLFSA-N 2 1 332.492 1.596 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369658424 155122915 /nfs/dbraw/zinc/12/29/15/155122915.db2.gz DGBYYMUMSUJZQT-UOVPBQLFSA-N 2 1 332.492 1.596 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369658424 155122918 /nfs/dbraw/zinc/12/29/18/155122918.db2.gz DGBYYMUMSUJZQT-UOVPBQLFSA-N 2 1 332.492 1.596 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000369659520 155123242 /nfs/dbraw/zinc/12/32/42/155123242.db2.gz UORAJHNRFOKYIR-KRWDZBQOSA-N 2 1 340.512 1.472 20 0 EDADMP CN1CCO[C@H](C(=O)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000371775373 156099439 /nfs/dbraw/zinc/09/94/39/156099439.db2.gz XXQNTRSFLNRGRR-OKYOBFRVSA-N 2 1 343.471 1.344 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000371775373 156099442 /nfs/dbraw/zinc/09/94/42/156099442.db2.gz XXQNTRSFLNRGRR-OKYOBFRVSA-N 2 1 343.471 1.344 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000371775373 156099446 /nfs/dbraw/zinc/09/94/46/156099446.db2.gz XXQNTRSFLNRGRR-OKYOBFRVSA-N 2 1 343.471 1.344 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000371775373 156099449 /nfs/dbraw/zinc/09/94/49/156099449.db2.gz XXQNTRSFLNRGRR-OKYOBFRVSA-N 2 1 343.471 1.344 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000371775373 156099454 /nfs/dbraw/zinc/09/94/54/156099454.db2.gz XXQNTRSFLNRGRR-OKYOBFRVSA-N 2 1 343.471 1.344 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCOCC3(CCCC3)C2)CC1 ZINC000372274712 156302084 /nfs/dbraw/zinc/30/20/84/156302084.db2.gz SBFWXZHXXPDPDM-UHFFFAOYSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)CCCO2 ZINC000178671611 292352484 /nfs/dbraw/zinc/35/24/84/292352484.db2.gz XDLHQLOSCYPVEE-KRWDZBQOSA-N 2 1 331.460 1.962 20 0 EDADMP CC(C)OC[C@@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CCO1 ZINC000374204874 157193343 /nfs/dbraw/zinc/19/33/43/157193343.db2.gz LOQGUNALFOUMNS-SFHVURJKSA-N 2 1 327.513 1.528 20 0 EDADMP CC(C)OC[C@@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CCO1 ZINC000374204874 157193346 /nfs/dbraw/zinc/19/33/46/157193346.db2.gz LOQGUNALFOUMNS-SFHVURJKSA-N 2 1 327.513 1.528 20 0 EDADMP Cn1nncc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000374284433 157226707 /nfs/dbraw/zinc/22/67/07/157226707.db2.gz PYVWJKQEIYXULJ-UHFFFAOYSA-N 2 1 334.512 1.443 20 0 EDADMP Cn1nncc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000374284433 157226712 /nfs/dbraw/zinc/22/67/12/157226712.db2.gz PYVWJKQEIYXULJ-UHFFFAOYSA-N 2 1 334.512 1.443 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])C2CCOCC2)[C@H]1c1cccs1 ZINC000374591684 157339470 /nfs/dbraw/zinc/33/94/70/157339470.db2.gz HKUFPNRLHMDALM-KBMXLJTQSA-N 2 1 337.489 1.611 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCCc3cn4c(n3)CCCC4)CC[C@H]21 ZINC000378181307 158102577 /nfs/dbraw/zinc/10/25/77/158102577.db2.gz YYFJWRFPANRSQO-NVXWUHKLSA-N 2 1 345.491 1.888 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@]3(F)CC[NH2+]C3)c2)CCO1 ZINC000378209172 158109748 /nfs/dbraw/zinc/10/97/48/158109748.db2.gz JFSLITCJCCDTOX-KBXCAEBGSA-N 2 1 335.423 1.225 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@]3(F)CC[NH2+]C3)c2)CCO1 ZINC000378209172 158109751 /nfs/dbraw/zinc/10/97/51/158109751.db2.gz JFSLITCJCCDTOX-KBXCAEBGSA-N 2 1 335.423 1.225 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000361336692 162302215 /nfs/dbraw/zinc/30/22/15/162302215.db2.gz OBUDPFVHIILDJV-IRXDYDNUSA-N 2 1 325.497 1.819 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)[C@H](C)C1 ZINC000349554847 287090732 /nfs/dbraw/zinc/09/07/32/287090732.db2.gz VINREEBEYKFJGR-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP C[NH+]1CCC(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000073046894 287258305 /nfs/dbraw/zinc/25/83/05/287258305.db2.gz AMZZJIQYABTEEW-UHFFFAOYSA-N 2 1 344.459 1.355 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000075328987 287276543 /nfs/dbraw/zinc/27/65/43/287276543.db2.gz FJMLMYDKUHKOBY-FUHWJXTLSA-N 2 1 339.524 1.970 20 0 EDADMP CC[C@@H]1[C@H](CO)CC[NH+]1CCOCC[N@@H+]1CC[C@@H](CO)[C@@H]1CC ZINC000451263390 287370055 /nfs/dbraw/zinc/37/00/55/287370055.db2.gz YXDSCLGZHMEHFC-XLAORIBOSA-N 2 1 328.497 1.189 20 0 EDADMP CC[C@@H]1[C@H](CO)CC[N@H+]1CCOCC[NH+]1CC[C@@H](CO)[C@@H]1CC ZINC000451263390 287370056 /nfs/dbraw/zinc/37/00/56/287370056.db2.gz YXDSCLGZHMEHFC-XLAORIBOSA-N 2 1 328.497 1.189 20 0 EDADMP CC[C@@H]1[C@H](CO)CC[N@@H+]1CCOCC[NH+]1CC[C@@H](CO)[C@@H]1CC ZINC000451263390 287370057 /nfs/dbraw/zinc/37/00/57/287370057.db2.gz YXDSCLGZHMEHFC-XLAORIBOSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000168506097 226217125 /nfs/dbraw/zinc/21/71/25/226217125.db2.gz UWHNOGHFCVAFOQ-JQHSSLGASA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000168506097 226217128 /nfs/dbraw/zinc/21/71/28/226217128.db2.gz UWHNOGHFCVAFOQ-JQHSSLGASA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000654429760 452485518 /nfs/dbraw/zinc/48/55/18/452485518.db2.gz XMHDUBYKYYFJGD-TUVASFSCSA-N 2 1 326.485 1.266 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C[C@H]1CCCCO1)c1ccccc1 ZINC000274156353 268110724 /nfs/dbraw/zinc/11/07/24/268110724.db2.gz YUUPYYALSZJSFE-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C[C@H]1CCCCO1)c1ccccc1 ZINC000274156353 268110727 /nfs/dbraw/zinc/11/07/27/268110727.db2.gz YUUPYYALSZJSFE-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP Cn1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(C(F)F)n1 ZINC000274444697 268140741 /nfs/dbraw/zinc/14/07/41/268140741.db2.gz CPPDXSICYHBARP-UHFFFAOYSA-N 2 1 343.422 1.248 20 0 EDADMP CCOC(=O)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274817312 268213349 /nfs/dbraw/zinc/21/33/49/268213349.db2.gz JASQXGGCSIFCGY-SZVBFZGTSA-N 2 1 334.460 1.801 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CCO1 ZINC000274836829 268218809 /nfs/dbraw/zinc/21/88/09/268218809.db2.gz VUTNUGWWSPMCTQ-SJORKVTESA-N 2 1 335.423 1.366 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CCO1 ZINC000274836829 268218813 /nfs/dbraw/zinc/21/88/13/268218813.db2.gz VUTNUGWWSPMCTQ-SJORKVTESA-N 2 1 335.423 1.366 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275537132 268357185 /nfs/dbraw/zinc/35/71/85/268357185.db2.gz YBWDXQUAKCVWJZ-HNNXBMFYSA-N 2 1 348.491 1.576 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274193825 273076412 /nfs/dbraw/zinc/07/64/12/273076412.db2.gz GJCYYZNQVRHUMX-ZHALLVOQSA-N 2 1 345.487 1.591 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000275845569 273131179 /nfs/dbraw/zinc/13/11/79/273131179.db2.gz HKZDDKRENAMEDM-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000275845569 273131180 /nfs/dbraw/zinc/13/11/80/273131180.db2.gz HKZDDKRENAMEDM-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP CC(C)[C@H](C[NH2+]CCN1C(=O)c2ccccc2C1=O)[NH+]1CCCC1 ZINC000278931250 273273158 /nfs/dbraw/zinc/27/31/58/273273158.db2.gz WJXBFNOIPDITBF-KRWDZBQOSA-N 2 1 329.444 1.993 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C[C@@H](C)O1 ZINC000655913512 452671789 /nfs/dbraw/zinc/67/17/89/452671789.db2.gz VBNWPDBAKVDUIK-MXWKQRLJSA-N 2 1 340.390 1.063 20 0 EDADMP O=C(NCCN1CCc2sccc2C1)NCC[N@@H+]1CC=CCC1 ZINC000279871087 273335571 /nfs/dbraw/zinc/33/55/71/273335571.db2.gz JPTJHJCTKGOHHD-UHFFFAOYSA-N 2 1 334.489 1.667 20 0 EDADMP O=C(NCC[NH+]1CCc2sccc2C1)NCC[N@@H+]1CC=CCC1 ZINC000279871087 273335573 /nfs/dbraw/zinc/33/55/73/273335573.db2.gz JPTJHJCTKGOHHD-UHFFFAOYSA-N 2 1 334.489 1.667 20 0 EDADMP O=C(NCC[NH+]1CC=CCC1)NCC[N@@H+]1CCc2sccc2C1 ZINC000279871087 273335574 /nfs/dbraw/zinc/33/55/74/273335574.db2.gz JPTJHJCTKGOHHD-UHFFFAOYSA-N 2 1 334.489 1.667 20 0 EDADMP O=C(NCC[NH+]1CC=CCC1)NCC[N@H+]1CCc2sccc2C1 ZINC000279871087 273335575 /nfs/dbraw/zinc/33/55/75/273335575.db2.gz JPTJHJCTKGOHHD-UHFFFAOYSA-N 2 1 334.489 1.667 20 0 EDADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263308724 275541136 /nfs/dbraw/zinc/54/11/36/275541136.db2.gz YFWOPHCEXSFLMX-RHSMWYFYSA-N 2 1 328.460 1.840 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](CCOC)C2)c1 ZINC000265707971 276075594 /nfs/dbraw/zinc/07/55/94/276075594.db2.gz BGJAHGZEBXYJOB-GOSISDBHSA-N 2 1 348.491 1.658 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1 ZINC000265707971 276075595 /nfs/dbraw/zinc/07/55/95/276075595.db2.gz BGJAHGZEBXYJOB-GOSISDBHSA-N 2 1 348.491 1.658 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)c1 ZINC000265707971 276075596 /nfs/dbraw/zinc/07/55/96/276075596.db2.gz BGJAHGZEBXYJOB-GOSISDBHSA-N 2 1 348.491 1.658 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)NCC[C@@H](C)[NH3+])CC1 ZINC000416993425 276196974 /nfs/dbraw/zinc/19/69/74/276196974.db2.gz QFFHAUGNTMDTEQ-MRXNPFEDSA-N 2 1 347.507 1.361 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000352379120 276230718 /nfs/dbraw/zinc/23/07/18/276230718.db2.gz RTHIIPKSYUNQES-ULQDDVLXSA-N 2 1 327.513 1.968 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000352379120 276230720 /nfs/dbraw/zinc/23/07/20/276230720.db2.gz RTHIIPKSYUNQES-ULQDDVLXSA-N 2 1 327.513 1.968 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000664066801 452758852 /nfs/dbraw/zinc/75/88/52/452758852.db2.gz ZXLAIUYVJTXTOX-OAHLLOKOSA-N 2 1 328.501 1.517 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000664066801 452758857 /nfs/dbraw/zinc/75/88/57/452758857.db2.gz ZXLAIUYVJTXTOX-OAHLLOKOSA-N 2 1 328.501 1.517 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000664066801 452758847 /nfs/dbraw/zinc/75/88/47/452758847.db2.gz ZXLAIUYVJTXTOX-OAHLLOKOSA-N 2 1 328.501 1.517 20 0 EDADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000370643145 277025057 /nfs/dbraw/zinc/02/50/57/277025057.db2.gz IFNIAQUVANTIHE-PDKVOLLNSA-N 2 1 337.508 1.913 20 0 EDADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000370643145 277025059 /nfs/dbraw/zinc/02/50/59/277025059.db2.gz IFNIAQUVANTIHE-PDKVOLLNSA-N 2 1 337.508 1.913 20 0 EDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000338569686 277048208 /nfs/dbraw/zinc/04/82/08/277048208.db2.gz LIOCZGYFGOGPJM-CVEARBPZSA-N 2 1 325.497 1.534 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCCC34CCOCC4)cn2)CC1 ZINC000367238326 277114638 /nfs/dbraw/zinc/11/46/38/277114638.db2.gz PHKGONDNHQLJSY-QGZVFWFLSA-N 2 1 345.491 1.667 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCOC4(CCC4)C3)cn2)CC1 ZINC000329277772 277114768 /nfs/dbraw/zinc/11/47/68/277114768.db2.gz LUFMGFBQDPZPPF-INIZCTEOSA-N 2 1 331.464 1.420 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCN(c3ncccn3)CC2)[C@@H]2CCC[C@@H]21 ZINC000367604401 277170744 /nfs/dbraw/zinc/17/07/44/277170744.db2.gz BKJOBTKLLRGFCC-BZSNNMDCSA-N 2 1 344.507 1.061 20 0 EDADMP CN1C[C@H](C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)OC1=O ZINC000496766394 277202288 /nfs/dbraw/zinc/20/22/88/277202288.db2.gz KHMMJEAEQCRMDD-KZNAEPCWSA-N 2 1 329.444 1.891 20 0 EDADMP CN1C[C@H](C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)OC1=O ZINC000496766394 277202289 /nfs/dbraw/zinc/20/22/89/277202289.db2.gz KHMMJEAEQCRMDD-KZNAEPCWSA-N 2 1 329.444 1.891 20 0 EDADMP CN1C[C@H](C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)OC1=O ZINC000496766394 277202291 /nfs/dbraw/zinc/20/22/91/277202291.db2.gz KHMMJEAEQCRMDD-KZNAEPCWSA-N 2 1 329.444 1.891 20 0 EDADMP CN1C[C@H](C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)OC1=O ZINC000496766394 277202292 /nfs/dbraw/zinc/20/22/92/277202292.db2.gz KHMMJEAEQCRMDD-KZNAEPCWSA-N 2 1 329.444 1.891 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000362845392 277222970 /nfs/dbraw/zinc/22/29/70/277222970.db2.gz ZRZYIOYMMILBRL-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000362845392 277222972 /nfs/dbraw/zinc/22/29/72/277222972.db2.gz ZRZYIOYMMILBRL-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000362845392 277222973 /nfs/dbraw/zinc/22/29/73/277222973.db2.gz ZRZYIOYMMILBRL-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP COC[C@H](C)NC(=[NH2+])NCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000369025882 277257947 /nfs/dbraw/zinc/25/79/47/277257947.db2.gz FYDRMKQESMEKMS-RDJZCZTQSA-N 2 1 333.480 1.124 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)c1cnn(C)c1 ZINC000262302735 277296721 /nfs/dbraw/zinc/29/67/21/277296721.db2.gz BTBZDFIZVBXOEQ-OLMNPRSZSA-N 2 1 341.459 1.632 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1cnn(C)c1 ZINC000262302735 277296722 /nfs/dbraw/zinc/29/67/22/277296722.db2.gz BTBZDFIZVBXOEQ-OLMNPRSZSA-N 2 1 341.459 1.632 20 0 EDADMP CC(CCN1CC[NH+]2CCC[C@@H]2C1)CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000411251898 278155924 /nfs/dbraw/zinc/15/59/24/278155924.db2.gz DKOBJXQIVLWZIX-WOJBJXKFSA-N 2 1 334.552 1.963 20 0 EDADMP C[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000101648731 278208851 /nfs/dbraw/zinc/20/88/51/278208851.db2.gz KSCGKIYAHIBCNH-WMLDXEAASA-N 2 1 336.455 1.181 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262861444 278305999 /nfs/dbraw/zinc/30/59/99/278305999.db2.gz UECHFCZYKUYVMG-RHSMWYFYSA-N 2 1 346.475 1.128 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000433465155 279038500 /nfs/dbraw/zinc/03/85/00/279038500.db2.gz ZLAWHLCFAKIABD-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000433465155 279038502 /nfs/dbraw/zinc/03/85/02/279038502.db2.gz ZLAWHLCFAKIABD-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000433465155 279038505 /nfs/dbraw/zinc/03/85/05/279038505.db2.gz ZLAWHLCFAKIABD-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000369814802 279097375 /nfs/dbraw/zinc/09/73/75/279097375.db2.gz TXJZHSNVKHROLG-UHFFFAOYSA-N 2 1 328.501 1.207 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369258525 279233120 /nfs/dbraw/zinc/23/31/20/279233120.db2.gz WKXQIBMRBIOYMM-TWMKSMIVSA-N 2 1 336.524 1.532 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369258525 279233121 /nfs/dbraw/zinc/23/31/21/279233121.db2.gz WKXQIBMRBIOYMM-TWMKSMIVSA-N 2 1 336.524 1.532 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369258525 279233123 /nfs/dbraw/zinc/23/31/23/279233123.db2.gz WKXQIBMRBIOYMM-TWMKSMIVSA-N 2 1 336.524 1.532 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369258525 279233124 /nfs/dbraw/zinc/23/31/24/279233124.db2.gz WKXQIBMRBIOYMM-TWMKSMIVSA-N 2 1 336.524 1.532 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369258525 279233125 /nfs/dbraw/zinc/23/31/25/279233125.db2.gz WKXQIBMRBIOYMM-TWMKSMIVSA-N 2 1 336.524 1.532 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417992843 279282300 /nfs/dbraw/zinc/28/23/00/279282300.db2.gz WZFWBOSGGCQSRP-BPQIPLTHSA-N 2 1 330.476 1.758 20 0 EDADMP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000353779724 279370446 /nfs/dbraw/zinc/37/04/46/279370446.db2.gz RBRGIKRHKPYFLV-MSOLQXFVSA-N 2 1 346.519 1.649 20 0 EDADMP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C2)CC1 ZINC000360137168 279370998 /nfs/dbraw/zinc/37/09/98/279370998.db2.gz RYULSCMFVKRWMT-IRXDYDNUSA-N 2 1 339.528 1.137 20 0 EDADMP Cn1ccnc1[C@@](O)(C[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C(F)(F)F ZINC000367756060 279378497 /nfs/dbraw/zinc/37/84/97/279378497.db2.gz RMHGUUZTJWGBML-XPCVCDNBSA-N 2 1 346.397 1.632 20 0 EDADMP Cn1ccnc1[C@@](O)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C(F)(F)F ZINC000367756060 279378498 /nfs/dbraw/zinc/37/84/98/279378498.db2.gz RMHGUUZTJWGBML-XPCVCDNBSA-N 2 1 346.397 1.632 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000248623167 279391876 /nfs/dbraw/zinc/39/18/76/279391876.db2.gz BMSBJAWUWHWCKI-MOPGFXCFSA-N 2 1 347.503 1.980 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000248623167 279391880 /nfs/dbraw/zinc/39/18/80/279391880.db2.gz BMSBJAWUWHWCKI-MOPGFXCFSA-N 2 1 347.503 1.980 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000248623167 279391882 /nfs/dbraw/zinc/39/18/82/279391882.db2.gz BMSBJAWUWHWCKI-MOPGFXCFSA-N 2 1 347.503 1.980 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000248623167 279391884 /nfs/dbraw/zinc/39/18/84/279391884.db2.gz BMSBJAWUWHWCKI-MOPGFXCFSA-N 2 1 347.503 1.980 20 0 EDADMP CCOC1CC([N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000286983871 288130774 /nfs/dbraw/zinc/13/07/74/288130774.db2.gz OXXXIQYHRLFEAI-ABHNRTSZSA-N 2 1 333.476 1.905 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)C[C@H](C)O1 ZINC000261891206 288152169 /nfs/dbraw/zinc/15/21/69/288152169.db2.gz CFBGXGLQHAYTGQ-SOLBZPMBSA-N 2 1 349.519 1.724 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000373139472 279760088 /nfs/dbraw/zinc/76/00/88/279760088.db2.gz OHHFJHDADCQITK-ZACQAIPSSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418114312 288163145 /nfs/dbraw/zinc/16/31/45/288163145.db2.gz LNXPNDJFZUMLSA-GDBMZVCRSA-N 2 1 326.485 1.304 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287157584 288168965 /nfs/dbraw/zinc/16/89/65/288168965.db2.gz MESWZOAYSKMKOP-JKSUJKDBSA-N 2 1 349.479 1.077 20 0 EDADMP CC[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+](CC)CC ZINC000353777419 280075660 /nfs/dbraw/zinc/07/56/60/280075660.db2.gz CWUOECLVOUPYST-JKSUJKDBSA-N 2 1 340.512 1.166 20 0 EDADMP CC[C@@H]1CN(C(=O)c2cccn2C2CC[NH2+]CC2)CC[N@H+]1C[C@H](C)O ZINC000372098707 280390672 /nfs/dbraw/zinc/39/06/72/280390672.db2.gz MREKRBZYKSKVJP-JKSUJKDBSA-N 2 1 348.491 1.330 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000291180861 289013859 /nfs/dbraw/zinc/01/38/59/289013859.db2.gz HHJKSPXDAXLMLV-UHFFFAOYSA-N 2 1 337.468 1.163 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)[nH+]c1 ZINC000291590216 289117212 /nfs/dbraw/zinc/11/72/12/289117212.db2.gz HJXHCDNJGUGBFY-HZPDHXFCSA-N 2 1 349.479 1.289 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)[nH+]c1 ZINC000291590216 289117215 /nfs/dbraw/zinc/11/72/15/289117215.db2.gz HJXHCDNJGUGBFY-HZPDHXFCSA-N 2 1 349.479 1.289 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000356623356 289131403 /nfs/dbraw/zinc/13/14/03/289131403.db2.gz RRBJOPCOGMDXCY-QGZVFWFLSA-N 2 1 326.529 1.593 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000356623356 289131404 /nfs/dbraw/zinc/13/14/04/289131404.db2.gz RRBJOPCOGMDXCY-QGZVFWFLSA-N 2 1 326.529 1.593 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000356623356 289131405 /nfs/dbraw/zinc/13/14/05/289131405.db2.gz RRBJOPCOGMDXCY-QGZVFWFLSA-N 2 1 326.529 1.593 20 0 EDADMP CN(CCCN(C)C(=O)CC[C@H]1CCCC[N@@H+]1C)CC[NH+](C)C ZINC000356623356 289131406 /nfs/dbraw/zinc/13/14/06/289131406.db2.gz RRBJOPCOGMDXCY-QGZVFWFLSA-N 2 1 326.529 1.593 20 0 EDADMP CN(CCCN(C)C(=O)CC[C@H]1CCCC[N@H+]1C)CC[NH+](C)C ZINC000356623356 289131407 /nfs/dbraw/zinc/13/14/07/289131407.db2.gz RRBJOPCOGMDXCY-QGZVFWFLSA-N 2 1 326.529 1.593 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000291682667 289149338 /nfs/dbraw/zinc/14/93/38/289149338.db2.gz RLBJKGMUQDSGQB-IBGZPJMESA-N 2 1 330.476 1.985 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ccccc2)CC1 ZINC000292590035 289389363 /nfs/dbraw/zinc/38/93/63/289389363.db2.gz VVLFLNFQIXPNNA-QRVBRYPASA-N 2 1 342.487 1.186 20 0 EDADMP C[C@H](c1ccc(NC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000332270813 290235582 /nfs/dbraw/zinc/23/55/82/290235582.db2.gz ISVBOODSNBEHFW-CPUCHLNUSA-N 2 1 332.448 1.891 20 0 EDADMP C[C@H](c1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1)[NH+]1CCOCC1 ZINC000333187801 290235803 /nfs/dbraw/zinc/23/58/03/290235803.db2.gz UCHALOWAHVKLPG-OIISXLGYSA-N 2 1 344.459 1.763 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418611963 304519122 /nfs/dbraw/zinc/51/91/22/304519122.db2.gz IHYHIWGFELZCPZ-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC000648786459 453271242 /nfs/dbraw/zinc/27/12/42/453271242.db2.gz CASLUSPGGVWEGO-QBPKDAKJSA-N 2 1 325.497 1.580 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC000648786459 453271248 /nfs/dbraw/zinc/27/12/48/453271248.db2.gz CASLUSPGGVWEGO-QBPKDAKJSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C ZINC000651197109 453351757 /nfs/dbraw/zinc/35/17/57/453351757.db2.gz WEHMOVZGTHRRIT-HOTGVXAUSA-N 2 1 328.501 1.061 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000651197109 453351766 /nfs/dbraw/zinc/35/17/66/453351766.db2.gz WEHMOVZGTHRRIT-HOTGVXAUSA-N 2 1 328.501 1.061 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000651197109 453351777 /nfs/dbraw/zinc/35/17/77/453351777.db2.gz WEHMOVZGTHRRIT-HOTGVXAUSA-N 2 1 328.501 1.061 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cn2cc[nH+]c12 ZINC000293983496 303047519 /nfs/dbraw/zinc/04/75/19/303047519.db2.gz BXSUNZGTTQSFSA-DZGCQCFKSA-N 2 1 343.431 1.426 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn2cc[nH+]c12 ZINC000293983496 303047521 /nfs/dbraw/zinc/04/75/21/303047521.db2.gz BXSUNZGTTQSFSA-DZGCQCFKSA-N 2 1 343.431 1.426 20 0 EDADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CCCO1 ZINC000294663143 303134088 /nfs/dbraw/zinc/13/40/88/303134088.db2.gz LPYFZKRKWCERRV-AWEZNQCLSA-N 2 1 333.432 1.608 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CCCO1 ZINC000294663143 303134090 /nfs/dbraw/zinc/13/40/90/303134090.db2.gz LPYFZKRKWCERRV-AWEZNQCLSA-N 2 1 333.432 1.608 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000295167297 303182704 /nfs/dbraw/zinc/18/27/04/303182704.db2.gz LACZLVYIPNUOAJ-CQSZACIVSA-N 2 1 344.459 1.082 20 0 EDADMP O=C(NCC1CC[NH+](C2CC2)CC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295419032 303216545 /nfs/dbraw/zinc/21/65/45/303216545.db2.gz CHFNOHPZLMZCLK-UHFFFAOYSA-N 2 1 325.416 1.872 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000296335666 303310456 /nfs/dbraw/zinc/31/04/56/303310456.db2.gz IBLPGNADIVWBAZ-VQIMIIECSA-N 2 1 344.503 1.622 20 0 EDADMP O=C(NCCN1CCC(O)CC1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000296936108 303348533 /nfs/dbraw/zinc/34/85/33/303348533.db2.gz MPWINILWGTVULB-GOSISDBHSA-N 2 1 349.450 1.363 20 0 EDADMP [NH3+]CCC[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)CC1CCCC1 ZINC000352508007 303376078 /nfs/dbraw/zinc/37/60/78/303376078.db2.gz GBJSVFJHLQRZEY-ROUUACIJSA-N 2 1 337.508 1.997 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@H](C)C1 ZINC000448524950 447327645 /nfs/dbraw/zinc/32/76/45/447327645.db2.gz MLBDJSVNUBOARX-UKRRQHHQSA-N 2 1 336.484 1.358 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@H](C)C1 ZINC000448524950 447327653 /nfs/dbraw/zinc/32/76/53/447327653.db2.gz MLBDJSVNUBOARX-UKRRQHHQSA-N 2 1 336.484 1.358 20 0 EDADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414888473 447345318 /nfs/dbraw/zinc/34/53/18/447345318.db2.gz RXEJINNMGLPCSJ-QGZVFWFLSA-N 2 1 344.459 1.069 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414888473 447345322 /nfs/dbraw/zinc/34/53/22/447345322.db2.gz RXEJINNMGLPCSJ-QGZVFWFLSA-N 2 1 344.459 1.069 20 0 EDADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000458403004 447347223 /nfs/dbraw/zinc/34/72/23/447347223.db2.gz BWSILSMQJJPRHK-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000458403004 447347228 /nfs/dbraw/zinc/34/72/28/447347228.db2.gz BWSILSMQJJPRHK-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000429032458 305023338 /nfs/dbraw/zinc/02/33/38/305023338.db2.gz VTPYKFLCOCPWPZ-QGZVFWFLSA-N 2 1 341.415 1.138 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)cn2)CC1 ZINC000430105307 305045530 /nfs/dbraw/zinc/04/55/30/305045530.db2.gz KRNYXEUYEULNND-GOEBONIOSA-N 2 1 337.418 1.706 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)cn2)CC1 ZINC000430105307 305045531 /nfs/dbraw/zinc/04/55/31/305045531.db2.gz KRNYXEUYEULNND-GOEBONIOSA-N 2 1 337.418 1.706 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000430611859 305058926 /nfs/dbraw/zinc/05/89/26/305058926.db2.gz PWZYXCRJRUKQBB-GOEBONIOSA-N 2 1 349.475 1.422 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000430611859 305058927 /nfs/dbraw/zinc/05/89/27/305058927.db2.gz PWZYXCRJRUKQBB-GOEBONIOSA-N 2 1 349.475 1.422 20 0 EDADMP COCC[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430680318 305062189 /nfs/dbraw/zinc/06/21/89/305062189.db2.gz ONUNEFSRLUPRFU-AZUAARDMSA-N 2 1 345.487 1.783 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433915570 305114409 /nfs/dbraw/zinc/11/44/09/305114409.db2.gz QTWPXGURKHMULZ-OAHLLOKOSA-N 2 1 326.510 1.351 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433915570 305114410 /nfs/dbraw/zinc/11/44/10/305114410.db2.gz QTWPXGURKHMULZ-OAHLLOKOSA-N 2 1 326.510 1.351 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)Nc2ccc(-c3n[nH]c(C[NH3+])n3)cc2)CC1 ZINC000434696260 305128033 /nfs/dbraw/zinc/12/80/33/305128033.db2.gz XXOXYLMGEZVYJD-UHFFFAOYSA-N 2 1 342.447 1.989 20 0 EDADMP COc1ccc(OCC[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436060477 305151843 /nfs/dbraw/zinc/15/18/43/305151843.db2.gz FATCGBGEKXMINY-OAHLLOKOSA-N 2 1 335.448 1.394 20 0 EDADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1(C(=O)OC)CCC1 ZINC000442889884 305230431 /nfs/dbraw/zinc/23/04/31/305230431.db2.gz MFGMNWCJAJTEKL-HNNXBMFYSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444030425 305242909 /nfs/dbraw/zinc/24/29/09/305242909.db2.gz KZKHYQFLSPBPBG-BRWVUGGUSA-N 2 1 338.540 1.732 20 0 EDADMP C[C@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444030425 305242910 /nfs/dbraw/zinc/24/29/10/305242910.db2.gz KZKHYQFLSPBPBG-BRWVUGGUSA-N 2 1 338.540 1.732 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)CCCCC2)CCO1 ZINC000446362785 305263762 /nfs/dbraw/zinc/26/37/62/305263762.db2.gz KNXOLHDWQMYDCK-LSDHHAIUSA-N 2 1 341.471 1.616 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000449346022 305312021 /nfs/dbraw/zinc/31/20/21/305312021.db2.gz LGFWNVPXSOXOEV-IEBWSBKVSA-N 2 1 344.503 1.118 20 0 EDADMP CC[NH+]1CCN([C@H](C)CNCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425902888 447354637 /nfs/dbraw/zinc/35/46/37/447354637.db2.gz UNYDEEHCPJPNMW-OAHLLOKOSA-N 2 1 335.496 1.257 20 0 EDADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)C1CCCC1 ZINC000419696284 447355698 /nfs/dbraw/zinc/35/56/98/447355698.db2.gz OGHRZWGNQFLJDS-INIZCTEOSA-N 2 1 338.496 1.001 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000414925033 447358896 /nfs/dbraw/zinc/35/88/96/447358896.db2.gz HMWVEGAOZQWZFA-MRXNPFEDSA-N 2 1 330.432 1.041 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000414933300 447361915 /nfs/dbraw/zinc/36/19/15/447361915.db2.gz DOLHKWBHKWBKLZ-JSGCOSHPSA-N 2 1 330.432 1.086 20 0 EDADMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C1CCOCC1 ZINC000535879411 306018575 /nfs/dbraw/zinc/01/85/75/306018575.db2.gz GDQPSTRANSENMK-CQSZACIVSA-N 2 1 332.448 1.835 20 0 EDADMP CC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc2C1 ZINC000538709308 306032675 /nfs/dbraw/zinc/03/26/75/306032675.db2.gz DRNCRJWJIYWNPY-HKUYNNGSSA-N 2 1 331.460 1.526 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000543706121 306067272 /nfs/dbraw/zinc/06/72/72/306067272.db2.gz FAEHIKAYVNQDQX-IAGOWNOFSA-N 2 1 349.479 1.259 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N(C)CCC[NH+](C)C)[C@@H](C)C1 ZINC000544667232 306077690 /nfs/dbraw/zinc/07/76/90/306077690.db2.gz XPXBNFYCVCPBCS-DLBZAZTESA-N 2 1 342.528 1.717 20 0 EDADMP C[C@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000547296108 306097874 /nfs/dbraw/zinc/09/78/74/306097874.db2.gz AYXYCPNGIOYABK-RLFYNMQTSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@H](NC(=O)NC[C@]1(O)CC[NH+](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000547296108 306097875 /nfs/dbraw/zinc/09/78/75/306097875.db2.gz AYXYCPNGIOYABK-RLFYNMQTSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@H](NC(=O)NC[C@]1(O)CC[NH+](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000547296108 306097876 /nfs/dbraw/zinc/09/78/76/306097876.db2.gz AYXYCPNGIOYABK-RLFYNMQTSA-N 2 1 338.496 1.005 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(O)(CC)CC)CC2)CC1 ZINC000553492422 306185848 /nfs/dbraw/zinc/18/58/48/306185848.db2.gz BTDOZALDJUTIJZ-UHFFFAOYSA-N 2 1 339.524 1.850 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCCC[NH+](C)C ZINC000554764044 306197576 /nfs/dbraw/zinc/19/75/76/306197576.db2.gz RVYIQDAKHHRIBR-QGZVFWFLSA-N 2 1 347.507 1.440 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]2(C)CO)CC1 ZINC000554997037 306199704 /nfs/dbraw/zinc/19/97/04/306199704.db2.gz IGILWDNCPPKVPQ-FQEVSTJZSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]2(C)CO)CC1 ZINC000554997037 306199705 /nfs/dbraw/zinc/19/97/05/306199705.db2.gz IGILWDNCPPKVPQ-FQEVSTJZSA-N 2 1 345.487 1.486 20 0 EDADMP CCCCNC(=O)CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425968921 447369979 /nfs/dbraw/zinc/36/99/79/447369979.db2.gz UVDVMRYTDHMVSE-FQEVSTJZSA-N 2 1 347.503 1.862 20 0 EDADMP CCCCNC(=O)CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425968921 447369982 /nfs/dbraw/zinc/36/99/82/447369982.db2.gz UVDVMRYTDHMVSE-FQEVSTJZSA-N 2 1 347.503 1.862 20 0 EDADMP CCCCNC(=O)CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425968921 447369986 /nfs/dbraw/zinc/36/99/86/447369986.db2.gz UVDVMRYTDHMVSE-FQEVSTJZSA-N 2 1 347.503 1.862 20 0 EDADMP CCCCNC(=O)CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425968921 447369989 /nfs/dbraw/zinc/36/99/89/447369989.db2.gz UVDVMRYTDHMVSE-FQEVSTJZSA-N 2 1 347.503 1.862 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000456379673 447381613 /nfs/dbraw/zinc/38/16/13/447381613.db2.gz MYYBKDOJWLIIMG-KRWDZBQOSA-N 2 1 337.508 1.964 20 0 EDADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CC[NH2+]CC1 ZINC000414977390 447381913 /nfs/dbraw/zinc/38/19/13/447381913.db2.gz RLDFMIKPVKKXGK-TUVASFSCSA-N 3 1 334.430 1.333 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000449708166 447388304 /nfs/dbraw/zinc/38/83/04/447388304.db2.gz UFZVJBWPKJVVOG-SJORKVTESA-N 2 1 331.460 1.392 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000449708166 447388308 /nfs/dbraw/zinc/38/83/08/447388308.db2.gz UFZVJBWPKJVVOG-SJORKVTESA-N 2 1 331.460 1.392 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000419765626 447401138 /nfs/dbraw/zinc/40/11/38/447401138.db2.gz QMFQIDAPQDBSJR-CQSZACIVSA-N 2 1 334.464 1.171 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000665553703 453744933 /nfs/dbraw/zinc/74/49/33/453744933.db2.gz ZHZCVCVSYVUIGE-HUUCEWRRSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000665553703 453744937 /nfs/dbraw/zinc/74/49/37/453744937.db2.gz ZHZCVCVSYVUIGE-HUUCEWRRSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000665553703 453744940 /nfs/dbraw/zinc/74/49/40/453744940.db2.gz ZHZCVCVSYVUIGE-HUUCEWRRSA-N 2 1 326.485 1.005 20 0 EDADMP Cc1cc(NC(=O)CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)on1 ZINC000378369394 447422169 /nfs/dbraw/zinc/42/21/69/447422169.db2.gz KNOCXYZNOWDPQG-CQSZACIVSA-N 2 1 335.452 1.022 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000458638995 447434685 /nfs/dbraw/zinc/43/46/85/447434685.db2.gz ACWBLORQUZTJNE-INIZCTEOSA-N 2 1 328.501 1.469 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000081325651 441254294 /nfs/dbraw/zinc/25/42/94/441254294.db2.gz GFWWCLSCHDMGMS-OAHLLOKOSA-N 2 1 349.479 1.100 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000081325651 441254298 /nfs/dbraw/zinc/25/42/98/441254298.db2.gz GFWWCLSCHDMGMS-OAHLLOKOSA-N 2 1 349.479 1.100 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000081346674 441256005 /nfs/dbraw/zinc/25/60/05/441256005.db2.gz BMLCCBAUHIVUOP-QZTJIDSGSA-N 2 1 337.508 1.822 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000081346674 441256009 /nfs/dbraw/zinc/25/60/09/441256009.db2.gz BMLCCBAUHIVUOP-QZTJIDSGSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000081443651 441270245 /nfs/dbraw/zinc/27/02/45/441270245.db2.gz FZBPJNYKXUFQPU-LPHOPBHVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000081443651 441270250 /nfs/dbraw/zinc/27/02/50/441270250.db2.gz FZBPJNYKXUFQPU-LPHOPBHVSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000081248176 441243930 /nfs/dbraw/zinc/24/39/30/441243930.db2.gz APVJBHHXPWAYME-RTBURBONSA-N 2 1 345.487 1.516 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000081248176 441243934 /nfs/dbraw/zinc/24/39/34/441243934.db2.gz APVJBHHXPWAYME-RTBURBONSA-N 2 1 345.487 1.516 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000081248176 441243940 /nfs/dbraw/zinc/24/39/40/441243940.db2.gz APVJBHHXPWAYME-RTBURBONSA-N 2 1 345.487 1.516 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000081248176 441243942 /nfs/dbraw/zinc/24/39/42/441243942.db2.gz APVJBHHXPWAYME-RTBURBONSA-N 2 1 345.487 1.516 20 0 EDADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000106388390 441336489 /nfs/dbraw/zinc/33/64/89/441336489.db2.gz HMWIGOLZUPHBEY-OAHLLOKOSA-N 2 1 336.432 1.571 20 0 EDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000106388390 441336492 /nfs/dbraw/zinc/33/64/92/441336492.db2.gz HMWIGOLZUPHBEY-OAHLLOKOSA-N 2 1 336.432 1.571 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000073764784 441351788 /nfs/dbraw/zinc/35/17/88/441351788.db2.gz DCBWXIJQGZVKIW-JQHSSLGASA-N 2 1 346.475 1.129 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000073764784 441351792 /nfs/dbraw/zinc/35/17/92/441351792.db2.gz DCBWXIJQGZVKIW-JQHSSLGASA-N 2 1 346.475 1.129 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000073764784 441351795 /nfs/dbraw/zinc/35/17/95/441351795.db2.gz DCBWXIJQGZVKIW-JQHSSLGASA-N 2 1 346.475 1.129 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000073764784 441351796 /nfs/dbraw/zinc/35/17/96/441351796.db2.gz DCBWXIJQGZVKIW-JQHSSLGASA-N 2 1 346.475 1.129 20 0 EDADMP C[C@@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)C[NH+]1CCCCC1 ZINC000083712533 441369115 /nfs/dbraw/zinc/36/91/15/441369115.db2.gz UIGLQTLWRKHMTB-AWEZNQCLSA-N 2 1 336.484 1.407 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1C ZINC000083737910 441372815 /nfs/dbraw/zinc/37/28/15/441372815.db2.gz BIPPNZKFDHNXTG-CQSZACIVSA-N 2 1 334.468 1.256 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)n1C ZINC000083736849 441373534 /nfs/dbraw/zinc/37/35/34/441373534.db2.gz JMSBFNGEVDZLOE-UHFFFAOYSA-N 2 1 348.495 1.692 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107824389 441431370 /nfs/dbraw/zinc/43/13/70/441431370.db2.gz PCLRYCJAQRVLAO-KRWDZBQOSA-N 2 1 338.496 1.369 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C1 ZINC000086246433 441460985 /nfs/dbraw/zinc/46/09/85/441460985.db2.gz DOYVQBLZDUHSNV-GOSISDBHSA-N 2 1 347.459 1.303 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C1 ZINC000086246433 441460988 /nfs/dbraw/zinc/46/09/88/441460988.db2.gz DOYVQBLZDUHSNV-GOSISDBHSA-N 2 1 347.459 1.303 20 0 EDADMP C[C@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1C ZINC000076113003 441599659 /nfs/dbraw/zinc/59/96/59/441599659.db2.gz LDBCUULOUKISKX-CALCHBBNSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1C ZINC000076113003 441599660 /nfs/dbraw/zinc/59/96/60/441599660.db2.gz LDBCUULOUKISKX-CALCHBBNSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000139382392 441815813 /nfs/dbraw/zinc/81/58/13/441815813.db2.gz TXHZALHRQKQTGE-SFHVURJKSA-N 2 1 330.476 1.916 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000139382392 441815818 /nfs/dbraw/zinc/81/58/18/441815818.db2.gz TXHZALHRQKQTGE-SFHVURJKSA-N 2 1 330.476 1.916 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@](C)(O)C1 ZINC000124459705 441929159 /nfs/dbraw/zinc/92/91/59/441929159.db2.gz QZGIRONEBFKKCO-YVWKXTFCSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@](C)(O)C1 ZINC000124459705 441929163 /nfs/dbraw/zinc/92/91/63/441929163.db2.gz QZGIRONEBFKKCO-YVWKXTFCSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@](C)(O)C1 ZINC000124459705 441929168 /nfs/dbraw/zinc/92/91/68/441929168.db2.gz QZGIRONEBFKKCO-YVWKXTFCSA-N 2 1 345.487 1.612 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000151139572 442013001 /nfs/dbraw/zinc/01/30/01/442013001.db2.gz PKQYDIXQEWPQOC-GJZGRUSLSA-N 2 1 339.505 1.977 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000079100671 442018752 /nfs/dbraw/zinc/01/87/52/442018752.db2.gz FYUJUKSBAIEGKF-DOTOQJQBSA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000079100671 442018759 /nfs/dbraw/zinc/01/87/59/442018759.db2.gz FYUJUKSBAIEGKF-DOTOQJQBSA-N 2 1 338.496 1.127 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000175230669 442023064 /nfs/dbraw/zinc/02/30/64/442023064.db2.gz XMGCHXNFXLZVEX-HZPDHXFCSA-N 2 1 328.501 1.517 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)C1CC1 ZINC000151460082 442066138 /nfs/dbraw/zinc/06/61/38/442066138.db2.gz XWASZKYEMUQMGR-GASCZTMLSA-N 2 1 346.475 1.796 20 0 EDADMP CCN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)C1CC1 ZINC000151460082 442066142 /nfs/dbraw/zinc/06/61/42/442066142.db2.gz XWASZKYEMUQMGR-GASCZTMLSA-N 2 1 346.475 1.796 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000120524454 442089256 /nfs/dbraw/zinc/08/92/56/442089256.db2.gz AZXIGQMTLHLCJB-PXNSSMCTSA-N 2 1 344.503 1.703 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC([NH+]2CCC[C@@H]2C)CC1 ZINC000126419908 442110772 /nfs/dbraw/zinc/11/07/72/442110772.db2.gz HUWKUUIEOZWPBT-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000126419908 442110778 /nfs/dbraw/zinc/11/07/78/442110778.db2.gz HUWKUUIEOZWPBT-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000126419908 442110782 /nfs/dbraw/zinc/11/07/82/442110782.db2.gz HUWKUUIEOZWPBT-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCOC(=O)NC(N)=O)C2)CC1 ZINC000120898122 442149241 /nfs/dbraw/zinc/14/92/41/442149241.db2.gz OHQLPWCFEBSSBF-HNNXBMFYSA-N 2 1 340.468 1.625 20 0 EDADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCOC(=O)NC(N)=O)C2)CC1 ZINC000120898122 442149246 /nfs/dbraw/zinc/14/92/46/442149246.db2.gz OHQLPWCFEBSSBF-HNNXBMFYSA-N 2 1 340.468 1.625 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000127427507 442201608 /nfs/dbraw/zinc/20/16/08/442201608.db2.gz SVAOZBUEILMTCL-NVXWUHKLSA-N 2 1 345.491 1.388 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152476138 442217788 /nfs/dbraw/zinc/21/77/88/442217788.db2.gz GEBSKKDUMAJSRD-UONOGXRCSA-N 2 1 337.489 1.730 20 0 EDADMP O=C(NCC[NH+]1CCCCC1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000170801395 442266638 /nfs/dbraw/zinc/26/66/38/442266638.db2.gz JJEYOVHGJNCYGS-IBGZPJMESA-N 2 1 345.487 1.787 20 0 EDADMP C[C@@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000129623401 442325937 /nfs/dbraw/zinc/32/59/37/442325937.db2.gz TYFJHYTWDGAMHH-BBWFWOEESA-N 2 1 338.540 1.638 20 0 EDADMP C[C@@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000129623401 442325942 /nfs/dbraw/zinc/32/59/42/442325942.db2.gz TYFJHYTWDGAMHH-BBWFWOEESA-N 2 1 338.540 1.638 20 0 EDADMP C[C@@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000129623401 442325945 /nfs/dbraw/zinc/32/59/45/442325945.db2.gz TYFJHYTWDGAMHH-BBWFWOEESA-N 2 1 338.540 1.638 20 0 EDADMP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)N2CCOCC2)cc1 ZINC000154264687 442329326 /nfs/dbraw/zinc/32/93/26/442329326.db2.gz ZSMHRGDXDSJALQ-UXPWSPDFSA-N 2 1 347.503 1.998 20 0 EDADMP CC(C)[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[NH+](C)C ZINC000154397970 442337114 /nfs/dbraw/zinc/33/71/14/442337114.db2.gz ORHMLFJGNQOKET-UJJTZGENSA-N 2 1 336.524 1.342 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)C2(C)CC2)C1 ZINC000177236084 442318086 /nfs/dbraw/zinc/31/80/86/442318086.db2.gz MTPWRQUZPIZNFN-JKSUJKDBSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H](C)C2(C)CC2)C1 ZINC000177236084 442318088 /nfs/dbraw/zinc/31/80/88/442318088.db2.gz MTPWRQUZPIZNFN-JKSUJKDBSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@H](C)C2(C)CC2)C1 ZINC000177236084 442318090 /nfs/dbraw/zinc/31/80/90/442318090.db2.gz MTPWRQUZPIZNFN-JKSUJKDBSA-N 2 1 325.497 1.580 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000171680780 442369370 /nfs/dbraw/zinc/36/93/70/442369370.db2.gz MBSLTQGEELIFDE-UHFFFAOYSA-N 2 1 325.497 1.727 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](CO)O1 ZINC000191524784 442458414 /nfs/dbraw/zinc/45/84/14/442458414.db2.gz RHWWVFQIPJGJQI-QFBILLFUSA-N 2 1 347.503 1.799 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](CO)O1 ZINC000191524784 442458419 /nfs/dbraw/zinc/45/84/19/442458419.db2.gz RHWWVFQIPJGJQI-QFBILLFUSA-N 2 1 347.503 1.799 20 0 EDADMP CC[C@@]1(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCC[NH2+]1 ZINC000134615773 442501574 /nfs/dbraw/zinc/50/15/74/442501574.db2.gz CEZWFYMJNQOEGJ-SFHVURJKSA-N 2 1 331.464 1.711 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000178852012 442502824 /nfs/dbraw/zinc/50/28/24/442502824.db2.gz YRJPIJOMADXQPL-VQIMIIECSA-N 2 1 344.503 1.561 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCC[C@H]3C[NH+]3CCCC3)cn2)CC1 ZINC000179645730 442484247 /nfs/dbraw/zinc/48/42/47/442484247.db2.gz IJNKGTOIGRMURS-SFHVURJKSA-N 2 1 344.507 1.289 20 0 EDADMP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000134923740 442537173 /nfs/dbraw/zinc/53/71/73/442537173.db2.gz USEUKSNONREDET-HIFRSBDPSA-N 2 1 334.464 1.266 20 0 EDADMP CC1(C)NC(=O)N(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000134923740 442537178 /nfs/dbraw/zinc/53/71/78/442537178.db2.gz USEUKSNONREDET-HIFRSBDPSA-N 2 1 334.464 1.266 20 0 EDADMP CC1(C)NC(=O)N(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000134923740 442537183 /nfs/dbraw/zinc/53/71/83/442537183.db2.gz USEUKSNONREDET-HIFRSBDPSA-N 2 1 334.464 1.266 20 0 EDADMP CC1(C)NC(=O)N(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000134923740 442537188 /nfs/dbraw/zinc/53/71/88/442537188.db2.gz USEUKSNONREDET-HIFRSBDPSA-N 2 1 334.464 1.266 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(CCC[NH+]3CCCC3)CC2)C1 ZINC000179188362 442594054 /nfs/dbraw/zinc/59/40/54/442594054.db2.gz NXGLSGJRWQPEEK-LJQANCHMSA-N 2 1 338.540 1.199 20 0 EDADMP CN(C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)C1CC[NH+](C)CC1 ZINC000179380444 442636197 /nfs/dbraw/zinc/63/61/97/442636197.db2.gz CICHSHNOUAROJO-IBGZPJMESA-N 2 1 345.487 1.737 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC000187027260 442647057 /nfs/dbraw/zinc/64/70/57/442647057.db2.gz GQWBRCNLAMKPJQ-NVXWUHKLSA-N 2 1 341.496 1.008 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC000187027260 442647061 /nfs/dbraw/zinc/64/70/61/442647061.db2.gz GQWBRCNLAMKPJQ-NVXWUHKLSA-N 2 1 341.496 1.008 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000192228803 442617554 /nfs/dbraw/zinc/61/75/54/442617554.db2.gz TUNJQZIMQLYLQL-GOSISDBHSA-N 2 1 333.476 1.734 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192228803 442617562 /nfs/dbraw/zinc/61/75/62/442617562.db2.gz TUNJQZIMQLYLQL-GOSISDBHSA-N 2 1 333.476 1.734 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192228803 442617565 /nfs/dbraw/zinc/61/75/65/442617565.db2.gz TUNJQZIMQLYLQL-GOSISDBHSA-N 2 1 333.476 1.734 20 0 EDADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OCC(N)=O ZINC000192765911 442684283 /nfs/dbraw/zinc/68/42/83/442684283.db2.gz DGMFNLJMJVERNR-GOOCMWNKSA-N 2 1 333.432 1.274 20 0 EDADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCC(N)=O ZINC000192765911 442684286 /nfs/dbraw/zinc/68/42/86/442684286.db2.gz DGMFNLJMJVERNR-GOOCMWNKSA-N 2 1 333.432 1.274 20 0 EDADMP CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC000192778283 442685669 /nfs/dbraw/zinc/68/56/69/442685669.db2.gz BWIDXPNZKRFLRZ-QYZOEREBSA-N 2 1 339.524 1.671 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn2ccncc12 ZINC000193053433 442708636 /nfs/dbraw/zinc/70/86/36/442708636.db2.gz PZUYCCFAGZNJMK-HNNXBMFYSA-N 2 1 344.463 1.217 20 0 EDADMP C[NH+](CCOCC[N@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@H]1O ZINC000246472887 442784216 /nfs/dbraw/zinc/78/42/16/442784216.db2.gz JLYZWCSZJBGSSY-XLAORIBOSA-N 2 1 328.497 1.189 20 0 EDADMP C[NH+](CCOCC[N@H+](C)C[C@@H]1CCC[C@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000246472887 442784221 /nfs/dbraw/zinc/78/42/21/442784221.db2.gz JLYZWCSZJBGSSY-XLAORIBOSA-N 2 1 328.497 1.189 20 0 EDADMP C[NH+](CCOCC[N@@H+](C)C[C@@H]1CCC[C@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000246472887 442784225 /nfs/dbraw/zinc/78/42/25/442784225.db2.gz JLYZWCSZJBGSSY-XLAORIBOSA-N 2 1 328.497 1.189 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247136368 442836936 /nfs/dbraw/zinc/83/69/36/442836936.db2.gz SPCGUFCZLPBBBH-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194142993 442851364 /nfs/dbraw/zinc/85/13/64/442851364.db2.gz FLWBKJWORSLWJZ-UHFFFAOYSA-N 2 1 340.512 1.472 20 0 EDADMP CC(C)[C@H](C(=O)NC1CC[NH+](C2CC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248262748 442887150 /nfs/dbraw/zinc/88/71/50/442887150.db2.gz WRSQQLPIHUVXFV-RVKKMQEKSA-N 2 1 337.508 1.863 20 0 EDADMP CC(C)[C@H](C(=O)NC1CC[NH+](C2CC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248262748 442887151 /nfs/dbraw/zinc/88/71/51/442887151.db2.gz WRSQQLPIHUVXFV-RVKKMQEKSA-N 2 1 337.508 1.863 20 0 EDADMP CC[C@@H]1CN([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000249065408 442948473 /nfs/dbraw/zinc/94/84/73/442948473.db2.gz UKCYKVZALYDPCJ-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248574705 442902949 /nfs/dbraw/zinc/90/29/49/442902949.db2.gz MZTFMUYDVDGGHS-ILXRZTDVSA-N 2 1 338.496 1.852 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248574705 442902951 /nfs/dbraw/zinc/90/29/51/442902951.db2.gz MZTFMUYDVDGGHS-ILXRZTDVSA-N 2 1 338.496 1.852 20 0 EDADMP COC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000265755571 442908988 /nfs/dbraw/zinc/90/89/88/442908988.db2.gz GCCGJLUBMOQPIR-GOSISDBHSA-N 2 1 345.487 1.608 20 0 EDADMP COC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000265755571 442908990 /nfs/dbraw/zinc/90/89/90/442908990.db2.gz GCCGJLUBMOQPIR-GOSISDBHSA-N 2 1 345.487 1.608 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249112372 442953301 /nfs/dbraw/zinc/95/33/01/442953301.db2.gz NEGIFYPJFCHJNH-GJZGRUSLSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249112372 442953303 /nfs/dbraw/zinc/95/33/03/442953303.db2.gz NEGIFYPJFCHJNH-GJZGRUSLSA-N 2 1 328.501 1.203 20 0 EDADMP C[C@H](NS(=O)(=O)CC[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189809807 443015048 /nfs/dbraw/zinc/01/50/48/443015048.db2.gz GNCOOZDMWNZHGE-HOTGVXAUSA-N 2 1 343.537 1.655 20 0 EDADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000236674332 443142933 /nfs/dbraw/zinc/14/29/33/443142933.db2.gz BFIOYOSMYXRJDM-ROUUACIJSA-N 2 1 345.487 1.564 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]1CCOCC1 ZINC000185297734 443179028 /nfs/dbraw/zinc/17/90/28/443179028.db2.gz OQEFJTJFKPVWIL-INIZCTEOSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)CCCCCC[NH3+])C[C@H](C)O1 ZINC000237675638 443179911 /nfs/dbraw/zinc/17/99/11/443179911.db2.gz TUZBPVCVCWVLHL-IXDOHACOSA-N 2 1 325.497 1.996 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(C)(C)C[NH3+])cc2)CC1 ZINC000236868296 443150757 /nfs/dbraw/zinc/15/07/57/443150757.db2.gz LVSMBSTVZOYJIS-UHFFFAOYSA-N 2 1 346.475 1.317 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C3(C[NH3+])CCCC3)cc2)CC1 ZINC000237199905 443162845 /nfs/dbraw/zinc/16/28/45/443162845.db2.gz MHBMJMMWGCZFQC-UHFFFAOYSA-N 2 1 344.459 1.532 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000266796223 443244831 /nfs/dbraw/zinc/24/48/31/443244831.db2.gz IGXIQQIDNQIFCJ-CQSZACIVSA-N 2 1 325.457 1.095 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000266796223 443244835 /nfs/dbraw/zinc/24/48/35/443244835.db2.gz IGXIQQIDNQIFCJ-CQSZACIVSA-N 2 1 325.457 1.095 20 0 EDADMP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000262513140 443198965 /nfs/dbraw/zinc/19/89/65/443198965.db2.gz DXCOVOLGVSLOPG-XYJFISCASA-N 2 1 332.492 1.465 20 0 EDADMP C[C@H]([NH3+])[C@H](C)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000262513140 443198969 /nfs/dbraw/zinc/19/89/69/443198969.db2.gz DXCOVOLGVSLOPG-XYJFISCASA-N 2 1 332.492 1.465 20 0 EDADMP C[C@H]([NH3+])[C@H](C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000262513140 443198972 /nfs/dbraw/zinc/19/89/72/443198972.db2.gz DXCOVOLGVSLOPG-XYJFISCASA-N 2 1 332.492 1.465 20 0 EDADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000387536485 319131912 /nfs/dbraw/zinc/13/19/12/319131912.db2.gz LGKPXLYUSLPQSR-HZPDHXFCSA-N 2 1 326.529 1.399 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411240736 319173105 /nfs/dbraw/zinc/17/31/05/319173105.db2.gz IBNRKFGXRPXUNR-HNNXBMFYSA-N 2 1 348.491 1.842 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCOC)[C@@H]2CCCSC2)CC1 ZINC000411763783 319201315 /nfs/dbraw/zinc/20/13/15/319201315.db2.gz ZCYGOPQBMTTZPO-MRXNPFEDSA-N 2 1 343.537 1.431 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H]([NH3+])[C@@H](C)C3)c2C1 ZINC000415831720 319375676 /nfs/dbraw/zinc/37/56/76/319375676.db2.gz PCAZOXLPYZVUIL-WFASDCNBSA-N 2 1 330.432 1.156 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H]([NH3+])[C@@H](C)C3)c2C1 ZINC000415831720 319375678 /nfs/dbraw/zinc/37/56/78/319375678.db2.gz PCAZOXLPYZVUIL-WFASDCNBSA-N 2 1 330.432 1.156 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000415900902 319382752 /nfs/dbraw/zinc/38/27/52/319382752.db2.gz MLLQTSZKEUBFBQ-SFHVURJKSA-N 2 1 347.507 1.800 20 0 EDADMP [NH3+]Cc1cccnc1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000415998765 319388754 /nfs/dbraw/zinc/38/87/54/319388754.db2.gz STIJTZCODOHAJH-UHFFFAOYSA-N 2 1 331.445 1.782 20 0 EDADMP [NH3+]Cc1cccnc1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000415998765 319388756 /nfs/dbraw/zinc/38/87/56/319388756.db2.gz STIJTZCODOHAJH-UHFFFAOYSA-N 2 1 331.445 1.782 20 0 EDADMP CC(C)[C@@H]([NH3+])C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000269315148 443279227 /nfs/dbraw/zinc/27/92/27/443279227.db2.gz ZBVRCWJTRLJLDP-LJQANCHMSA-N 2 1 346.519 1.684 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[NH2+]C[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000269274988 443262599 /nfs/dbraw/zinc/26/25/99/443262599.db2.gz WATHQLFIWIUXBO-BHIYHBOVSA-N 2 1 345.487 1.924 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000246099723 443267408 /nfs/dbraw/zinc/26/74/08/443267408.db2.gz HCPIEDQFMKZPOA-QBPKDAKJSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416939143 319479828 /nfs/dbraw/zinc/47/98/28/319479828.db2.gz MJXWJAATUYISBA-BRWVUGGUSA-N 2 1 340.512 1.360 20 0 EDADMP Cc1nn2c(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)c(C)nc2s1 ZINC000282451625 443343277 /nfs/dbraw/zinc/34/32/77/443343277.db2.gz SKZUPEBQHJAUNL-UHFFFAOYSA-N 2 1 336.509 1.523 20 0 EDADMP C[C@@H](C(=O)NCCN1CCC([NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000267200497 443376306 /nfs/dbraw/zinc/37/63/06/443376306.db2.gz DBSXZUGDBMZHFE-KRWDZBQOSA-N 2 1 346.519 1.649 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000269656413 443382626 /nfs/dbraw/zinc/38/26/26/443382626.db2.gz NHPBBKPPPHMDPW-UHFFFAOYSA-N 2 1 345.487 1.744 20 0 EDADMP COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000265030414 443512715 /nfs/dbraw/zinc/51/27/15/443512715.db2.gz UUWHPHOPZLHRHQ-CABCVRRESA-N 2 1 338.448 1.327 20 0 EDADMP COc1cccc(OC)c1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000265030414 443512718 /nfs/dbraw/zinc/51/27/18/443512718.db2.gz UUWHPHOPZLHRHQ-CABCVRRESA-N 2 1 338.448 1.327 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3CCC[NH2+][C@@H]3C)CC2)nc(C)[nH+]1 ZINC000423436637 319775177 /nfs/dbraw/zinc/77/51/77/319775177.db2.gz PZCZVSWYKIJPHE-CJNGLKHVSA-N 2 1 331.464 1.567 20 0 EDADMP Cc1cccc(NCCNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000423445011 319776627 /nfs/dbraw/zinc/77/66/27/319776627.db2.gz YDQJLZKNCGRWSP-CQSZACIVSA-N 2 1 342.447 1.432 20 0 EDADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000430929253 319935560 /nfs/dbraw/zinc/93/55/60/319935560.db2.gz OLFQQORSBQNPJO-UHFFFAOYSA-N 2 1 344.459 1.449 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000447446442 320142469 /nfs/dbraw/zinc/14/24/69/320142469.db2.gz HSUPJTWSHYWODY-CPUCHLNUSA-N 2 1 335.448 1.598 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449732779 320202875 /nfs/dbraw/zinc/20/28/75/320202875.db2.gz DEJPDQBCDXEVCA-GBESFXJTSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449732779 320202877 /nfs/dbraw/zinc/20/28/77/320202877.db2.gz DEJPDQBCDXEVCA-GBESFXJTSA-N 2 1 343.471 1.488 20 0 EDADMP COCC1(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCC1 ZINC000449740088 320203453 /nfs/dbraw/zinc/20/34/53/320203453.db2.gz DUQNHYKGDKRDFO-UHFFFAOYSA-N 2 1 333.480 1.525 20 0 EDADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+]3C)ccc21 ZINC000453648436 320267047 /nfs/dbraw/zinc/26/70/47/320267047.db2.gz STOSOTWSSWAUIQ-RDJZCZTQSA-N 2 1 344.459 1.384 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000458129724 320336688 /nfs/dbraw/zinc/33/66/88/320336688.db2.gz LCEUPXWJEQGOCA-IYBDPMFKSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000458547579 320337402 /nfs/dbraw/zinc/33/74/02/320337402.db2.gz XNUDMVHZHSIDBT-BBWFWOEESA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000458547579 320337403 /nfs/dbraw/zinc/33/74/03/320337403.db2.gz XNUDMVHZHSIDBT-BBWFWOEESA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000458547579 320337404 /nfs/dbraw/zinc/33/74/04/320337404.db2.gz XNUDMVHZHSIDBT-BBWFWOEESA-N 2 1 340.512 1.061 20 0 EDADMP CCC(CC)[C@@H](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000462885882 320352352 /nfs/dbraw/zinc/35/23/52/320352352.db2.gz UYZFTAYFFVNNNV-KSZLIROESA-N 2 1 337.508 1.628 20 0 EDADMP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000517265188 320447937 /nfs/dbraw/zinc/44/79/37/320447937.db2.gz QYFRYOXXTIIJTR-HOTGVXAUSA-N 2 1 348.520 1.697 20 0 EDADMP C[C@@H]1CN(c2ccccc2C[NH2+]CCC[NH+]2CCC(O)CC2)CCO1 ZINC000298552523 443798017 /nfs/dbraw/zinc/79/80/17/443798017.db2.gz UXHHQHQIEKGPKV-QGZVFWFLSA-N 2 1 347.503 1.848 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000528799694 320565227 /nfs/dbraw/zinc/56/52/27/320565227.db2.gz YAYGEEXAASESDG-UHFFFAOYSA-N 2 1 328.416 1.787 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000625522346 450408070 /nfs/dbraw/zinc/40/80/70/450408070.db2.gz NXKBLAJEZYQIET-GOEBONIOSA-N 2 1 337.508 1.865 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000625522346 450408075 /nfs/dbraw/zinc/40/80/75/450408075.db2.gz NXKBLAJEZYQIET-GOEBONIOSA-N 2 1 337.508 1.865 20 0 EDADMP COc1cccc([C@@H](CNC(=O)N2CCC[N@@H+](C)CC2)[NH+](C)C)c1 ZINC000298638575 443824884 /nfs/dbraw/zinc/82/48/84/443824884.db2.gz FJGOCIFISICVDU-QGZVFWFLSA-N 2 1 334.464 1.645 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000288267501 443826323 /nfs/dbraw/zinc/82/63/23/443826323.db2.gz VHBWYOOGIWJLAF-INIZCTEOSA-N 2 1 349.479 1.031 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000288267501 443826328 /nfs/dbraw/zinc/82/63/28/443826328.db2.gz VHBWYOOGIWJLAF-INIZCTEOSA-N 2 1 349.479 1.031 20 0 EDADMP CN1CCN(C(=O)CC[N@H+]2Cc3ccccc3OC(C)(C)C2)CC1 ZINC000288580835 443924820 /nfs/dbraw/zinc/92/48/20/443924820.db2.gz CFXLSUOVUSCYGI-UHFFFAOYSA-N 2 1 331.460 1.824 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2Cc3ccccc3OC(C)(C)C2)CC1 ZINC000288580835 443924827 /nfs/dbraw/zinc/92/48/27/443924827.db2.gz CFXLSUOVUSCYGI-UHFFFAOYSA-N 2 1 331.460 1.824 20 0 EDADMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000299170025 443973524 /nfs/dbraw/zinc/97/35/24/443973524.db2.gz WTNCVDASQXNWER-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000557241623 321001001 /nfs/dbraw/zinc/00/10/01/321001001.db2.gz WBYYONTXTJSYGL-XHSDSOJGSA-N 2 1 338.496 1.399 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000564431180 321131308 /nfs/dbraw/zinc/13/13/08/321131308.db2.gz ZXZIPPBTAHNYNA-QRQLOZEOSA-N 2 1 344.503 1.991 20 0 EDADMP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000564440487 321131584 /nfs/dbraw/zinc/13/15/84/321131584.db2.gz LSZDCMXRMPGRHZ-HZPDHXFCSA-N 3 1 340.537 1.380 20 0 EDADMP COc1ccc(C[C@H](C)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1F ZINC000565234171 321177720 /nfs/dbraw/zinc/17/77/20/321177720.db2.gz REIYTEVWUIVJMC-BJJXKVORSA-N 2 1 335.423 1.257 20 0 EDADMP COc1cccc(N2CC[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000566110768 321216429 /nfs/dbraw/zinc/21/64/29/321216429.db2.gz PZGFTETZJKUYQR-QAPCUYQASA-N 2 1 333.476 1.566 20 0 EDADMP COc1cccc(N2CC[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000566110768 321216431 /nfs/dbraw/zinc/21/64/31/321216431.db2.gz PZGFTETZJKUYQR-QAPCUYQASA-N 2 1 333.476 1.566 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000567522652 321244621 /nfs/dbraw/zinc/24/46/21/321244621.db2.gz WPCAUWRCBHEEAX-ZWKOTPCHSA-N 2 1 332.492 1.928 20 0 EDADMP [NH3+]C1CCC(OCC(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000567584224 321246985 /nfs/dbraw/zinc/24/69/85/321246985.db2.gz HZFXAEBHNCODKT-UHFFFAOYSA-N 2 1 337.489 1.509 20 0 EDADMP [NH3+]C1CCC(OCC(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000567584224 321246986 /nfs/dbraw/zinc/24/69/86/321246986.db2.gz HZFXAEBHNCODKT-UHFFFAOYSA-N 2 1 337.489 1.509 20 0 EDADMP C[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000567870634 321263425 /nfs/dbraw/zinc/26/34/25/321263425.db2.gz XDUYJDNJPBBBCN-UKRRQHHQSA-N 2 1 336.505 1.936 20 0 EDADMP C[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000567870634 321263427 /nfs/dbraw/zinc/26/34/27/321263427.db2.gz XDUYJDNJPBBBCN-UKRRQHHQSA-N 2 1 336.505 1.936 20 0 EDADMP C[NH2+][C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000285773134 444103906 /nfs/dbraw/zinc/10/39/06/444103906.db2.gz MGHGYXNEXIFCGR-KRWDZBQOSA-N 2 1 329.448 1.319 20 0 EDADMP C[NH2+][C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000285773134 444103908 /nfs/dbraw/zinc/10/39/08/444103908.db2.gz MGHGYXNEXIFCGR-KRWDZBQOSA-N 2 1 329.448 1.319 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000568391543 321289410 /nfs/dbraw/zinc/28/94/10/321289410.db2.gz DTBRCPMIOQKODJ-JSGCOSHPSA-N 2 1 346.393 1.300 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000568391543 321289412 /nfs/dbraw/zinc/28/94/12/321289412.db2.gz DTBRCPMIOQKODJ-JSGCOSHPSA-N 2 1 346.393 1.300 20 0 EDADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC000571326626 321382827 /nfs/dbraw/zinc/38/28/27/321382827.db2.gz IOXAMRNBUGLVQN-HOTGVXAUSA-N 2 1 340.439 1.248 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn2ccccc2n1 ZINC000299712044 444122300 /nfs/dbraw/zinc/12/23/00/444122300.db2.gz IRDCPAAYONPLBG-MRXNPFEDSA-N 2 1 343.475 1.822 20 0 EDADMP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc(OC)c1O ZINC000289911299 444218511 /nfs/dbraw/zinc/21/85/11/444218511.db2.gz XYRBDXLBAUOJBV-CQSZACIVSA-N 2 1 338.448 2.000 20 0 EDADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc(OC)c1O ZINC000289911299 444218512 /nfs/dbraw/zinc/21/85/12/444218512.db2.gz XYRBDXLBAUOJBV-CQSZACIVSA-N 2 1 338.448 2.000 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000576105281 321542718 /nfs/dbraw/zinc/54/27/18/321542718.db2.gz SMQFPCGCIVEDQF-WMZOPIPTSA-N 2 1 330.476 1.265 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000289738532 444196808 /nfs/dbraw/zinc/19/68/08/444196808.db2.gz GZAVFCLIULMSHU-ZBFHGGJFSA-N 2 1 335.448 1.294 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000305706717 444273771 /nfs/dbraw/zinc/27/37/71/444273771.db2.gz WFXAFVBBEHCOFU-CEXWTWQISA-N 2 1 345.487 1.612 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000305706717 444273774 /nfs/dbraw/zinc/27/37/74/444273774.db2.gz WFXAFVBBEHCOFU-CEXWTWQISA-N 2 1 345.487 1.612 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000305706717 444273777 /nfs/dbraw/zinc/27/37/77/444273777.db2.gz WFXAFVBBEHCOFU-CEXWTWQISA-N 2 1 345.487 1.612 20 0 EDADMP O[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCc2ccccc2C1 ZINC000305331375 444269338 /nfs/dbraw/zinc/26/93/38/444269338.db2.gz NAMSRXGTCYBMOP-VAMGGRTRSA-N 2 1 329.488 1.622 20 0 EDADMP O[C@H](CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)C[N@@H+]1CCc2ccccc2C1 ZINC000305331375 444269341 /nfs/dbraw/zinc/26/93/41/444269341.db2.gz NAMSRXGTCYBMOP-VAMGGRTRSA-N 2 1 329.488 1.622 20 0 EDADMP O[C@H](CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)C[N@H+]1CCc2ccccc2C1 ZINC000305331375 444269343 /nfs/dbraw/zinc/26/93/43/444269343.db2.gz NAMSRXGTCYBMOP-VAMGGRTRSA-N 2 1 329.488 1.622 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CN1CCc2ccccc2C1 ZINC000305331375 444269345 /nfs/dbraw/zinc/26/93/45/444269345.db2.gz NAMSRXGTCYBMOP-VAMGGRTRSA-N 2 1 329.488 1.622 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CN1CCc2ccccc2C1 ZINC000305331375 444269347 /nfs/dbraw/zinc/26/93/47/444269347.db2.gz NAMSRXGTCYBMOP-VAMGGRTRSA-N 2 1 329.488 1.622 20 0 EDADMP CC1(C)CN(CCNC(=O)NCc2ccc3cncn3c2)CCO1 ZINC000297639569 444312163 /nfs/dbraw/zinc/31/21/63/444312163.db2.gz LRYPYDGVXAOVCL-UHFFFAOYSA-N 2 1 331.420 1.244 20 0 EDADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H]1CCCC[C@H]1O ZINC000305811196 444282005 /nfs/dbraw/zinc/28/20/05/444282005.db2.gz ICCQSOBRCSUSDZ-IAGOWNOFSA-N 2 1 333.480 1.211 20 0 EDADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H]1CCCC[C@H]1O ZINC000305811196 444282007 /nfs/dbraw/zinc/28/20/07/444282007.db2.gz ICCQSOBRCSUSDZ-IAGOWNOFSA-N 2 1 333.480 1.211 20 0 EDADMP CCc1c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccn1C ZINC000578106760 321721832 /nfs/dbraw/zinc/72/18/32/321721832.db2.gz KZIAYJWQWQNKAM-UHFFFAOYSA-N 2 1 327.432 1.987 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000337683782 444350882 /nfs/dbraw/zinc/35/08/82/444350882.db2.gz OPUQCCINAIGETH-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000337683782 444350884 /nfs/dbraw/zinc/35/08/84/444350884.db2.gz OPUQCCINAIGETH-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000337683782 444350886 /nfs/dbraw/zinc/35/08/86/444350886.db2.gz OPUQCCINAIGETH-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000325311033 444363803 /nfs/dbraw/zinc/36/38/03/444363803.db2.gz XFCIKHNUADYAAJ-HRCADAONSA-N 2 1 339.480 1.298 20 0 EDADMP C[N@@H+](C[C@@H](O)CN1CCN(c2cc[nH+]c3ccccc32)CC1)C1CC1 ZINC000297749703 444328836 /nfs/dbraw/zinc/32/88/36/444328836.db2.gz UEUDKQWKRJXUGU-QGZVFWFLSA-N 2 1 340.471 1.812 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298005204 444384508 /nfs/dbraw/zinc/38/45/08/444384508.db2.gz BLQKUWBJTMXAFR-UHFFFAOYSA-N 2 1 327.428 1.889 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000338010688 444485827 /nfs/dbraw/zinc/48/58/27/444485827.db2.gz HRVFDRRZTZEYRM-NUJGCVRESA-N 2 1 331.460 1.596 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000338010688 444485828 /nfs/dbraw/zinc/48/58/28/444485828.db2.gz HRVFDRRZTZEYRM-NUJGCVRESA-N 2 1 331.460 1.596 20 0 EDADMP C[C@H](C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)N1CC[NH+](C)CC1 ZINC000338047934 444498974 /nfs/dbraw/zinc/49/89/74/444498974.db2.gz LTTQTPHBHRZLNY-XMTFNYHQSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@H](C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)N1CC[NH+](C)CC1 ZINC000338047934 444498977 /nfs/dbraw/zinc/49/89/77/444498977.db2.gz LTTQTPHBHRZLNY-XMTFNYHQSA-N 2 1 336.524 1.486 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](CNCc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000580245630 322027388 /nfs/dbraw/zinc/02/73/88/322027388.db2.gz XJFPFHIOBCPBSR-MRXNPFEDSA-N 2 1 332.496 1.048 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNCc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000580245630 322027391 /nfs/dbraw/zinc/02/73/91/322027391.db2.gz XJFPFHIOBCPBSR-MRXNPFEDSA-N 2 1 332.496 1.048 20 0 EDADMP Cn1ccnc1[C@H](CC(=O)NC[C@H]1CCC[N@@H+](C)C1)C(F)(F)F ZINC000580568258 322069155 /nfs/dbraw/zinc/06/91/55/322069155.db2.gz AXDAOADXPUBLJQ-NEPJUHHUSA-N 2 1 332.370 1.914 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000580631633 322075903 /nfs/dbraw/zinc/07/59/03/322075903.db2.gz RPRSPZPFZNSEOH-JKSUJKDBSA-N 2 1 340.512 1.421 20 0 EDADMP C[C@@H]1CN(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@@]1(C)C[NH3+] ZINC000580823799 322099700 /nfs/dbraw/zinc/09/97/00/322099700.db2.gz ZWASHCJQDWYGAR-FXRXJOCMSA-N 2 1 334.508 1.972 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000580823425 322099840 /nfs/dbraw/zinc/09/98/40/322099840.db2.gz UOBNBGMWOIGVBN-KRWDZBQOSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000581142880 322142004 /nfs/dbraw/zinc/14/20/04/322142004.db2.gz IPGWOLPQRAKZCT-NEWSRXKRSA-N 2 1 344.503 1.943 20 0 EDADMP CC[N@@H+]1CCN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000581148489 322142416 /nfs/dbraw/zinc/14/24/16/322142416.db2.gz IRDKBYDNWCUKAZ-VQIMIIECSA-N 2 1 331.460 1.176 20 0 EDADMP CC[N@H+]1CCN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000581148489 322142418 /nfs/dbraw/zinc/14/24/18/322142418.db2.gz IRDKBYDNWCUKAZ-VQIMIIECSA-N 2 1 331.460 1.176 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000581148489 322142420 /nfs/dbraw/zinc/14/24/20/322142420.db2.gz IRDKBYDNWCUKAZ-VQIMIIECSA-N 2 1 331.460 1.176 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000581148489 322142423 /nfs/dbraw/zinc/14/24/23/322142423.db2.gz IRDKBYDNWCUKAZ-VQIMIIECSA-N 2 1 331.460 1.176 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581246269 322154227 /nfs/dbraw/zinc/15/42/27/322154227.db2.gz OCBWMYQWOBOMRE-XNIJUTNWSA-N 2 1 341.540 1.413 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581246269 322154230 /nfs/dbraw/zinc/15/42/30/322154230.db2.gz OCBWMYQWOBOMRE-XNIJUTNWSA-N 2 1 341.540 1.413 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581246269 322154233 /nfs/dbraw/zinc/15/42/33/322154233.db2.gz OCBWMYQWOBOMRE-XNIJUTNWSA-N 2 1 341.540 1.413 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1)C2 ZINC000581489221 322183927 /nfs/dbraw/zinc/18/39/27/322183927.db2.gz QTVFJBPWWQMLQI-MRXNPFEDSA-N 2 1 342.443 1.660 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000581610144 322199219 /nfs/dbraw/zinc/19/92/19/322199219.db2.gz AJLWPITYJLMOMP-CZUORRHYSA-N 2 1 330.436 1.379 20 0 EDADMP C[NH+]1CCN(c2cccc(C(=O)NCC[N@H+]3CCCC3(C)C)n2)CC1 ZINC000581651548 322203432 /nfs/dbraw/zinc/20/34/32/322203432.db2.gz RGEANKARLSIUKZ-UHFFFAOYSA-N 2 1 345.491 1.438 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000332864814 444578164 /nfs/dbraw/zinc/57/81/64/444578164.db2.gz MLJBFCVEQIJOED-ZOBUZTSGSA-N 2 1 340.512 1.203 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000332764465 444542920 /nfs/dbraw/zinc/54/29/20/444542920.db2.gz HPLFPFONXIERGM-DLBZAZTESA-N 2 1 345.491 1.375 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000332764465 444542925 /nfs/dbraw/zinc/54/29/25/444542925.db2.gz HPLFPFONXIERGM-DLBZAZTESA-N 2 1 345.491 1.375 20 0 EDADMP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ncc(C[NH+](C)C)s3)[C@H]2C1 ZINC000342412281 444681019 /nfs/dbraw/zinc/68/10/19/444681019.db2.gz DJCGGUDZTXYSBL-CWRNSKLLSA-N 2 1 336.505 1.941 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000333830312 444701327 /nfs/dbraw/zinc/70/13/27/444701327.db2.gz MLJHDFFRGCDNIP-HLLBOEOZSA-N 2 1 338.496 1.269 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000338463393 444707252 /nfs/dbraw/zinc/70/72/52/444707252.db2.gz RQXRQKXNSKBZMU-ZOBUZTSGSA-N 2 1 325.497 1.721 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000338463393 444707259 /nfs/dbraw/zinc/70/72/59/444707259.db2.gz RQXRQKXNSKBZMU-ZOBUZTSGSA-N 2 1 325.497 1.721 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCN[C@@H](c1nccn1C)C1CC1 ZINC000342505210 444721347 /nfs/dbraw/zinc/72/13/47/444721347.db2.gz SGGDLSWYOLBPSN-JKSUJKDBSA-N 2 1 333.480 1.404 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)[nH+]c1 ZINC000344012277 444726643 /nfs/dbraw/zinc/72/66/43/444726643.db2.gz NNOLSILOCULYGD-IAGOWNOFSA-N 2 1 345.491 2.460 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)[nH+]c1 ZINC000344012277 444726647 /nfs/dbraw/zinc/72/66/47/444726647.db2.gz NNOLSILOCULYGD-IAGOWNOFSA-N 2 1 345.491 2.460 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)NCC3(C)CC[NH2+]CC3)CC2)cn1 ZINC000333794963 444698066 /nfs/dbraw/zinc/69/80/66/444698066.db2.gz GUYCQVHLGLNQAY-UHFFFAOYSA-N 2 1 348.495 1.027 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)NCC3(C)CC[NH2+]CC3)CC2)cn1 ZINC000333794963 444698072 /nfs/dbraw/zinc/69/80/72/444698072.db2.gz GUYCQVHLGLNQAY-UHFFFAOYSA-N 2 1 348.495 1.027 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H](C)C(=O)NCC(C)C ZINC000344123853 444794289 /nfs/dbraw/zinc/79/42/89/444794289.db2.gz HBWLRFJALLJANW-QGZVFWFLSA-N 2 1 326.529 1.497 20 0 EDADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)N[C@H](C)C(C)C ZINC000344155654 444810785 /nfs/dbraw/zinc/81/07/85/444810785.db2.gz VPJJHWRYSKGULE-QGZVFWFLSA-N 2 1 326.529 1.497 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)N[C@H](C)C(C)C ZINC000344155654 444810788 /nfs/dbraw/zinc/81/07/88/444810788.db2.gz VPJJHWRYSKGULE-QGZVFWFLSA-N 2 1 326.529 1.497 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000342693083 444817315 /nfs/dbraw/zinc/81/73/15/444817315.db2.gz LSFDFRWTNLDTGV-BLLLJJGKSA-N 2 1 344.415 1.638 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C1 ZINC000336873140 444817906 /nfs/dbraw/zinc/81/79/06/444817906.db2.gz RTYCBGPUNGULIK-DLBZAZTESA-N 2 1 327.513 1.120 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000342694594 444818759 /nfs/dbraw/zinc/81/87/59/444818759.db2.gz OFBNLRFABJXYBI-JKSUJKDBSA-N 2 1 333.432 1.048 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000341438378 444832457 /nfs/dbraw/zinc/83/24/57/444832457.db2.gz ZQIPFUYCRLDRFL-AWEZNQCLSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000342756343 444851356 /nfs/dbraw/zinc/85/13/56/444851356.db2.gz RPTHASOHZROERU-INMHGKMJSA-N 2 1 331.460 1.635 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000344235889 444855450 /nfs/dbraw/zinc/85/54/50/444855450.db2.gz MOYBKEGDBQVZGS-JTDSTZFVSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000344235889 444855452 /nfs/dbraw/zinc/85/54/52/444855452.db2.gz MOYBKEGDBQVZGS-JTDSTZFVSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000344235889 444855455 /nfs/dbraw/zinc/85/54/55/444855455.db2.gz MOYBKEGDBQVZGS-JTDSTZFVSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000342772855 444860383 /nfs/dbraw/zinc/86/03/83/444860383.db2.gz BDEVCZKHBHXBJE-KBAYOESNSA-N 2 1 335.492 1.715 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000342886713 444918794 /nfs/dbraw/zinc/91/87/94/444918794.db2.gz XVIULSKBOVHNOW-IAGOWNOFSA-N 2 1 337.508 1.583 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000337298929 445021947 /nfs/dbraw/zinc/02/19/47/445021947.db2.gz LYPOGFJQWXLQCA-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000337298929 445021952 /nfs/dbraw/zinc/02/19/52/445021952.db2.gz LYPOGFJQWXLQCA-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP Cn1nccc1[C@@H]1[C@H](CNc2[nH+]cnc3[nH]ccc32)CCC[N@@H+]1C ZINC000344484086 445003457 /nfs/dbraw/zinc/00/34/57/445003457.db2.gz AEOMIBDLDAHREA-WFASDCNBSA-N 2 1 325.420 2.186 20 0 EDADMP Cn1nccc1[C@@H]1[C@H](CNc2[nH+]cnc3[nH]ccc32)CCC[N@H+]1C ZINC000344484086 445003461 /nfs/dbraw/zinc/00/34/61/445003461.db2.gz AEOMIBDLDAHREA-WFASDCNBSA-N 2 1 325.420 2.186 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000337376916 445054853 /nfs/dbraw/zinc/05/48/53/445054853.db2.gz SCYPOXNFMWFUJK-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000337376916 445054856 /nfs/dbraw/zinc/05/48/56/445054856.db2.gz SCYPOXNFMWFUJK-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000337376916 445054858 /nfs/dbraw/zinc/05/48/58/445054858.db2.gz SCYPOXNFMWFUJK-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000341890606 445055303 /nfs/dbraw/zinc/05/53/03/445055303.db2.gz PUKMKZUFCAFYNB-MAUKXSAKSA-N 2 1 331.460 1.333 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000341890606 445055308 /nfs/dbraw/zinc/05/53/08/445055308.db2.gz PUKMKZUFCAFYNB-MAUKXSAKSA-N 2 1 331.460 1.333 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NCC3(c4ccccc4)CC3)C[C@H]21 ZINC000342088481 445165002 /nfs/dbraw/zinc/16/50/02/445165002.db2.gz QVRLJGMWBNGMHC-CGTJXYLNSA-N 2 1 327.472 1.894 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NCC3(c4ccccc4)CC3)C[C@H]21 ZINC000342088481 445165007 /nfs/dbraw/zinc/16/50/07/445165007.db2.gz QVRLJGMWBNGMHC-CGTJXYLNSA-N 2 1 327.472 1.894 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CNCC2([NH3+])CCC2)CC1 ZINC000342089884 445166110 /nfs/dbraw/zinc/16/61/10/445166110.db2.gz BQIOJVKLNBICMY-UHFFFAOYSA-N 2 1 344.503 1.500 20 0 EDADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccccc1 ZINC000343265656 445168087 /nfs/dbraw/zinc/16/80/87/445168087.db2.gz FCLLBKFNFKIFGM-AEFFLSMTSA-N 2 1 344.503 1.622 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NC[C@@H]3COc4ccccc4O3)C[C@H]21 ZINC000342102451 445173129 /nfs/dbraw/zinc/17/31/29/445173129.db2.gz MDAMCTBARXAQMH-KLHDSHLOSA-N 2 1 345.443 1.002 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NC[C@@H]3COc4ccccc4O3)C[C@H]21 ZINC000342102451 445173133 /nfs/dbraw/zinc/17/31/33/445173133.db2.gz MDAMCTBARXAQMH-KLHDSHLOSA-N 2 1 345.443 1.002 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000344862830 445146650 /nfs/dbraw/zinc/14/66/50/445146650.db2.gz OWKNSGPKFBADJS-APWZRJJASA-N 2 1 345.487 1.737 20 0 EDADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000344862830 445146656 /nfs/dbraw/zinc/14/66/56/445146656.db2.gz OWKNSGPKFBADJS-APWZRJJASA-N 2 1 345.487 1.737 20 0 EDADMP C[C@H]1CN(c2ccccn2)C[C@H]1C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000345016236 445156799 /nfs/dbraw/zinc/15/67/99/445156799.db2.gz JTFRGFVLGIRCHA-GOEBONIOSA-N 2 1 348.410 2.373 20 0 EDADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)N1CCOCC1 ZINC000343248966 445160640 /nfs/dbraw/zinc/16/06/40/445160640.db2.gz AMJYBOLQORYITL-MHORFTMASA-N 2 1 325.497 1.090 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000343251235 445161511 /nfs/dbraw/zinc/16/15/11/445161511.db2.gz MDHCTNAXKAOSIL-QRVBRYPASA-N 2 1 338.540 1.151 20 0 EDADMP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000346263745 445209560 /nfs/dbraw/zinc/20/95/60/445209560.db2.gz NERVRBJXQSYEHP-BZSNNMDCSA-N 2 1 337.508 1.678 20 0 EDADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000346263745 445209561 /nfs/dbraw/zinc/20/95/61/445209561.db2.gz NERVRBJXQSYEHP-BZSNNMDCSA-N 2 1 337.508 1.678 20 0 EDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000346641649 445221027 /nfs/dbraw/zinc/22/10/27/445221027.db2.gz IBBSQIQJVCTBSU-GFCCVEGCSA-N 2 1 331.869 1.419 20 0 EDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000346641649 445221029 /nfs/dbraw/zinc/22/10/29/445221029.db2.gz IBBSQIQJVCTBSU-GFCCVEGCSA-N 2 1 331.869 1.419 20 0 EDADMP COc1cccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1OC(C)C ZINC000347070145 445230774 /nfs/dbraw/zinc/23/07/74/445230774.db2.gz PQKNSZGOOPWJBR-INIZCTEOSA-N 2 1 349.475 1.769 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000347683882 445244982 /nfs/dbraw/zinc/24/49/82/445244982.db2.gz LMSHDYSJVQFULJ-SJORKVTESA-N 2 1 325.497 1.583 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000354500816 445265870 /nfs/dbraw/zinc/26/58/70/445265870.db2.gz CZWSKBMKMCJOMC-UHOSZYNNSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000354500816 445265874 /nfs/dbraw/zinc/26/58/74/445265874.db2.gz CZWSKBMKMCJOMC-UHOSZYNNSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000354500816 445265878 /nfs/dbraw/zinc/26/58/78/445265878.db2.gz CZWSKBMKMCJOMC-UHOSZYNNSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000354500816 445265881 /nfs/dbraw/zinc/26/58/81/445265881.db2.gz CZWSKBMKMCJOMC-UHOSZYNNSA-N 2 1 345.487 1.734 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)C[C@@H]2CCOC2)cc[nH+]1 ZINC000348173872 445303904 /nfs/dbraw/zinc/30/39/04/445303904.db2.gz UXRUWBQDUNKVIF-KKUMJFAQSA-N 2 1 337.443 1.428 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)C[C@@H]2CCOC2)cc[nH+]1 ZINC000348173872 445303906 /nfs/dbraw/zinc/30/39/06/445303906.db2.gz UXRUWBQDUNKVIF-KKUMJFAQSA-N 2 1 337.443 1.428 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)CC2)cs1 ZINC000351748897 445307285 /nfs/dbraw/zinc/30/72/85/445307285.db2.gz RDRHIHVKAPGOAY-DOMZBBRYSA-N 2 1 336.505 1.859 20 0 EDADMP C[N@@H+](CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000354681839 445338686 /nfs/dbraw/zinc/33/86/86/445338686.db2.gz AVYPYKKPYWFKNT-INIZCTEOSA-N 2 1 338.496 1.016 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351850582 445343129 /nfs/dbraw/zinc/34/31/29/445343129.db2.gz JDLKFIBDTRVQIU-JYJNAYRXSA-N 2 1 348.466 1.532 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000351857014 445344498 /nfs/dbraw/zinc/34/44/98/445344498.db2.gz ANBTUFZYACTRNU-DGCLKSJQSA-N 2 1 345.365 1.871 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000351857014 445344500 /nfs/dbraw/zinc/34/45/00/445344500.db2.gz ANBTUFZYACTRNU-DGCLKSJQSA-N 2 1 345.365 1.871 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000351863465 445346875 /nfs/dbraw/zinc/34/68/75/445346875.db2.gz UAYCYNRHWNEHKI-STQMWFEESA-N 2 1 325.840 1.504 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000351863465 445346878 /nfs/dbraw/zinc/34/68/78/445346878.db2.gz UAYCYNRHWNEHKI-STQMWFEESA-N 2 1 325.840 1.504 20 0 EDADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000351904289 445365183 /nfs/dbraw/zinc/36/51/83/445365183.db2.gz GBLWHICAVYWNAR-JKSUJKDBSA-N 2 1 339.459 1.133 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000351978484 445414003 /nfs/dbraw/zinc/41/40/03/445414003.db2.gz UIBXVJMWEIKYRQ-UHFFFAOYSA-N 2 1 333.480 1.294 20 0 EDADMP CCCCN(C)S(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000357055252 445398503 /nfs/dbraw/zinc/39/85/03/445398503.db2.gz UIAAVOIRTFJMHB-MRXNPFEDSA-N 2 1 348.557 1.311 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000349026241 445479680 /nfs/dbraw/zinc/47/96/80/445479680.db2.gz JINDYPNLGQMUOC-UHFFFAOYSA-N 2 1 345.487 1.736 20 0 EDADMP CN(C)c1nccc(N2C[C@H](F)C[C@H]2C[N@H+](C)Cc2cc[nH]n2)n1 ZINC000354917832 445434378 /nfs/dbraw/zinc/43/43/78/445434378.db2.gz IALQQBGPFJMYDX-OCCSQVGLSA-N 2 1 333.415 1.315 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000362565263 445442199 /nfs/dbraw/zinc/44/21/99/445442199.db2.gz AEPDYSKTCRZINY-GJZGRUSLSA-N 2 1 349.479 1.060 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362570399 445445537 /nfs/dbraw/zinc/44/55/37/445445537.db2.gz RFXOMDLQWCVTHV-CABCVRRESA-N 2 1 331.464 1.481 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H](F)C[NH2+]3)CC2)oc1C ZINC000362725730 445519998 /nfs/dbraw/zinc/51/99/98/445519998.db2.gz SYXIZNMXCQTQFQ-GJZGRUSLSA-N 2 1 338.427 1.320 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000359919846 445488566 /nfs/dbraw/zinc/48/85/66/445488566.db2.gz WXRZGWPSQFSDDV-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000352753835 445553098 /nfs/dbraw/zinc/55/30/98/445553098.db2.gz PRVLLJVNOKTHBV-DLBZAZTESA-N 2 1 342.528 1.595 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccn(C)c2)cc[nH+]1 ZINC000352899286 445563890 /nfs/dbraw/zinc/56/38/90/445563890.db2.gz QJVBWYWQWQGUJD-GJZGRUSLSA-N 2 1 332.427 1.588 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000349404130 445578574 /nfs/dbraw/zinc/57/85/74/445578574.db2.gz FCFNZSBGWGKUAJ-SJORKVTESA-N 2 1 325.497 1.581 20 0 EDADMP C[NH+](C)C1CCN(CCNc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000353291257 445586459 /nfs/dbraw/zinc/58/64/59/445586459.db2.gz IQDJWJPSDLMAKZ-UHFFFAOYSA-N 2 1 332.496 1.905 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)C[C@H]1C[C@@H](OC)C[NH+]1C ZINC000358165732 445609886 /nfs/dbraw/zinc/60/98/86/445609886.db2.gz OMJHXJOYECRTIZ-ARFHVFGLSA-N 2 1 328.501 1.467 20 0 EDADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NCc1ccc2c(c1)OCO2 ZINC000358521219 445630886 /nfs/dbraw/zinc/63/08/86/445630886.db2.gz XSAXZGIWTWMRMY-UHFFFAOYSA-N 2 1 331.416 1.107 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000353552461 445653549 /nfs/dbraw/zinc/65/35/49/445653549.db2.gz OUUBCQHKVGPWBG-GVDBMIGSSA-N 2 1 340.512 1.347 20 0 EDADMP CCC(CC)[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+]1CCCC1 ZINC000358658575 445698645 /nfs/dbraw/zinc/69/86/45/445698645.db2.gz FFNRSMAUYHCNRH-FUHWJXTLSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCc3c(ncn3C)C2)C1 ZINC000363179960 445709667 /nfs/dbraw/zinc/70/96/67/445709667.db2.gz UZIOXRLRXXKQNM-HNNXBMFYSA-N 2 1 333.480 2.000 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000358679855 445712164 /nfs/dbraw/zinc/71/21/64/445712164.db2.gz AXFXKBAAFHVMGG-KRWDZBQOSA-N 2 1 326.485 1.008 20 0 EDADMP C[NH+](C)CCOCCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000349917380 445720717 /nfs/dbraw/zinc/72/07/17/445720717.db2.gz ZTSLIWHMEUQCMA-SFHVURJKSA-N 2 1 348.491 1.386 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000349941511 445727953 /nfs/dbraw/zinc/72/79/53/445727953.db2.gz ZILOSDAZXJVPDN-CVEARBPZSA-N 2 1 349.479 1.513 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000349941511 445727957 /nfs/dbraw/zinc/72/79/57/445727957.db2.gz ZILOSDAZXJVPDN-CVEARBPZSA-N 2 1 349.479 1.513 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](CCCS(N)(=O)=O)CC1)CC(C)C ZINC000358763184 445762551 /nfs/dbraw/zinc/76/25/51/445762551.db2.gz BFDWRTBQPGWHCV-UHFFFAOYSA-N 2 1 333.542 1.745 20 0 EDADMP C[NH+](C)[C@@]1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCc2ccccc21 ZINC000363407249 445791569 /nfs/dbraw/zinc/79/15/69/445791569.db2.gz VCMKUJBHGJMRQU-QRWLVFNGSA-N 2 1 327.472 1.990 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361509671 445794624 /nfs/dbraw/zinc/79/46/24/445794624.db2.gz WEVRYGMALNNBDD-OAHLLOKOSA-N 2 1 325.522 1.806 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361509671 445794625 /nfs/dbraw/zinc/79/46/25/445794625.db2.gz WEVRYGMALNNBDD-OAHLLOKOSA-N 2 1 325.522 1.806 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000350514528 445842842 /nfs/dbraw/zinc/84/28/42/445842842.db2.gz DIZHVOONKTYXNW-KRWDZBQOSA-N 2 1 340.512 1.207 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+]1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000354004135 445848727 /nfs/dbraw/zinc/84/87/27/445848727.db2.gz AMSCBQPSHGNVDY-AEFFLSMTSA-N 2 1 330.476 1.902 20 0 EDADMP CCC[NH+]1CCC(N2CC[NH+](CCN3CCO[C@@H](C)C3)CC2)CC1 ZINC000369114017 445937361 /nfs/dbraw/zinc/93/73/61/445937361.db2.gz YJMIRZPOHMSIPU-SFHVURJKSA-N 2 1 338.540 1.199 20 0 EDADMP NC(=O)N1CCCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000365986152 445944076 /nfs/dbraw/zinc/94/40/76/445944076.db2.gz FJDIJALQIVHGHJ-SFHVURJKSA-N 2 1 346.475 1.364 20 0 EDADMP COCC[NH2+]CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000361724793 445899753 /nfs/dbraw/zinc/89/97/53/445899753.db2.gz BUMIGWZGXNQAHA-GFCCVEGCSA-N 2 1 334.395 1.733 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCOC1 ZINC000365910975 445901654 /nfs/dbraw/zinc/90/16/54/445901654.db2.gz BVDUFYMAOOAJJU-QGZVFWFLSA-N 2 1 337.508 1.678 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)CC1 ZINC000365918972 445906879 /nfs/dbraw/zinc/90/68/79/445906879.db2.gz HVRXSSXACSOYQP-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000365918972 445906886 /nfs/dbraw/zinc/90/68/86/445906886.db2.gz HVRXSSXACSOYQP-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000365918972 445906888 /nfs/dbraw/zinc/90/68/88/445906888.db2.gz HVRXSSXACSOYQP-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372911330 445916612 /nfs/dbraw/zinc/91/66/12/445916612.db2.gz WBGLOBXVESERSR-BZSNNMDCSA-N 2 1 329.444 1.098 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372911330 445916615 /nfs/dbraw/zinc/91/66/15/445916615.db2.gz WBGLOBXVESERSR-BZSNNMDCSA-N 2 1 329.444 1.098 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCOC(C)(C)C)CC2)CC1 ZINC000369145231 445952993 /nfs/dbraw/zinc/95/29/93/445952993.db2.gz UPCJOLLZWONEJU-UHFFFAOYSA-N 2 1 325.497 1.678 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC3(CCC3)C[C@H]2C)C1 ZINC000373025087 445982326 /nfs/dbraw/zinc/98/23/26/445982326.db2.gz KLURWBLSAVCDAZ-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC3(CCC3)C[C@H]2C)C1 ZINC000373025087 445982333 /nfs/dbraw/zinc/98/23/33/445982333.db2.gz KLURWBLSAVCDAZ-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC3(CCC3)C[C@H]2C)C1 ZINC000373025087 445982335 /nfs/dbraw/zinc/98/23/35/445982335.db2.gz KLURWBLSAVCDAZ-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3nccn3C)C2)CC1 ZINC000373115441 446037556 /nfs/dbraw/zinc/03/75/56/446037556.db2.gz KPCVSWJNZBPYLX-MRXNPFEDSA-N 2 1 347.507 1.589 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3nccn3C)C2)CC1 ZINC000373115441 446037563 /nfs/dbraw/zinc/03/75/63/446037563.db2.gz KPCVSWJNZBPYLX-MRXNPFEDSA-N 2 1 347.507 1.589 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000583153376 326015480 /nfs/dbraw/zinc/01/54/80/326015480.db2.gz KMQWOYPBLSPJOK-SJLPKXTDSA-N 2 1 341.459 1.272 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583370968 326059271 /nfs/dbraw/zinc/05/92/71/326059271.db2.gz LRXQBBJRSJCYOR-OGCZYDBJSA-N 2 1 328.460 1.414 20 0 EDADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000583745994 326130319 /nfs/dbraw/zinc/13/03/19/326130319.db2.gz RVJUGHDHKQZIKY-RHSMWYFYSA-N 2 1 332.448 1.827 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000583745994 326130321 /nfs/dbraw/zinc/13/03/21/326130321.db2.gz RVJUGHDHKQZIKY-RHSMWYFYSA-N 2 1 332.448 1.827 20 0 EDADMP C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584230165 326224911 /nfs/dbraw/zinc/22/49/11/326224911.db2.gz OMIFVHSGGMZOLY-IEZWGBDMSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584230165 326224914 /nfs/dbraw/zinc/22/49/14/326224914.db2.gz OMIFVHSGGMZOLY-IEZWGBDMSA-N 2 1 331.460 1.392 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000359240192 446072700 /nfs/dbraw/zinc/07/27/00/446072700.db2.gz SALZVJWCXIFQKK-QGZVFWFLSA-N 2 1 343.475 1.582 20 0 EDADMP CCS(=O)(=O)NCCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000369325547 446074873 /nfs/dbraw/zinc/07/48/73/446074873.db2.gz VMNUKQTWWYSHKY-CVEARBPZSA-N 2 1 331.526 1.512 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c2ccccc2)CC1 ZINC000365220305 446085465 /nfs/dbraw/zinc/08/54/65/446085465.db2.gz GGXAEJATGFSDLR-WDSOQIARSA-N 2 1 342.487 1.186 20 0 EDADMP COC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1)C1CC1 ZINC000366301507 446138693 /nfs/dbraw/zinc/13/86/93/446138693.db2.gz YKOVMPJGJOIHQM-KRWDZBQOSA-N 2 1 335.496 1.385 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[NH+](C)[C@@H](C)CC)C1 ZINC000359257053 446092418 /nfs/dbraw/zinc/09/24/18/446092418.db2.gz AWCLGXMIUHHDKE-HOTGVXAUSA-N 2 1 340.512 1.023 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC)C1 ZINC000359257053 446092423 /nfs/dbraw/zinc/09/24/23/446092423.db2.gz AWCLGXMIUHHDKE-HOTGVXAUSA-N 2 1 340.512 1.023 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC)C1 ZINC000359257053 446092426 /nfs/dbraw/zinc/09/24/26/446092426.db2.gz AWCLGXMIUHHDKE-HOTGVXAUSA-N 2 1 340.512 1.023 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N3CCN(c4ccccc4F)CC3)C[C@H]12 ZINC000351497097 446100899 /nfs/dbraw/zinc/10/08/99/446100899.db2.gz SPWSISYAADJLCN-YQQAZPJKSA-N 2 1 346.450 1.143 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CCN(c4ccccc4F)CC3)C[C@H]12 ZINC000351497097 446100905 /nfs/dbraw/zinc/10/09/05/446100905.db2.gz SPWSISYAADJLCN-YQQAZPJKSA-N 2 1 346.450 1.143 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000351586649 446184371 /nfs/dbraw/zinc/18/43/71/446184371.db2.gz NKGKSLHPNIIOSX-MRXNPFEDSA-N 2 1 335.473 1.383 20 0 EDADMP CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000366386990 446185720 /nfs/dbraw/zinc/18/57/20/446185720.db2.gz AIVPBQDOAYSCQH-UHFFFAOYSA-N 2 1 344.459 1.214 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CCC[NH2+]3)[C@@H](C)C2)s1 ZINC000366324768 446150569 /nfs/dbraw/zinc/15/05/69/446150569.db2.gz OLPKCQHRZJSYJR-BJJXKVORSA-N 2 1 336.505 1.920 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)[C@H]1c1cccc(Cl)c1 ZINC000366330303 446155087 /nfs/dbraw/zinc/15/50/87/446155087.db2.gz QFDVREPGUJFFTR-VNQPRFMTSA-N 2 1 337.851 1.437 20 0 EDADMP c1cc(N[C@@H]2CCCOC2)nc(NC2CC[NH+]([C@@H]3CCOC3)CC2)[nH+]1 ZINC000370238590 446195507 /nfs/dbraw/zinc/19/55/07/446195507.db2.gz MFLNQLNLRIIUBF-HZPDHXFCSA-N 2 1 347.463 1.733 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCc2ccccc2)C1 ZINC000370258639 446200166 /nfs/dbraw/zinc/20/01/66/446200166.db2.gz DCAXWNWBSIBIJX-ROUUACIJSA-N 2 1 331.460 1.140 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCc2ccccc2)C1 ZINC000370258639 446200171 /nfs/dbraw/zinc/20/01/71/446200171.db2.gz DCAXWNWBSIBIJX-ROUUACIJSA-N 2 1 331.460 1.140 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)C1 ZINC000370258639 446200179 /nfs/dbraw/zinc/20/01/79/446200179.db2.gz DCAXWNWBSIBIJX-ROUUACIJSA-N 2 1 331.460 1.140 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCc2ccccc2)C1 ZINC000370258639 446200187 /nfs/dbraw/zinc/20/01/87/446200187.db2.gz DCAXWNWBSIBIJX-ROUUACIJSA-N 2 1 331.460 1.140 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000365694628 446304523 /nfs/dbraw/zinc/30/45/23/446304523.db2.gz DCBWXIJQGZVKIW-NXHRZFHOSA-N 2 1 346.475 1.129 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000365694628 446304527 /nfs/dbraw/zinc/30/45/27/446304527.db2.gz DCBWXIJQGZVKIW-NXHRZFHOSA-N 2 1 346.475 1.129 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000365694628 446304531 /nfs/dbraw/zinc/30/45/31/446304531.db2.gz DCBWXIJQGZVKIW-NXHRZFHOSA-N 2 1 346.475 1.129 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000365694628 446304536 /nfs/dbraw/zinc/30/45/36/446304536.db2.gz DCBWXIJQGZVKIW-NXHRZFHOSA-N 2 1 346.475 1.129 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000370532596 446320780 /nfs/dbraw/zinc/32/07/80/446320780.db2.gz BSUPAEVKSCXZFT-KRWDZBQOSA-N 2 1 341.496 1.101 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000370532596 446320782 /nfs/dbraw/zinc/32/07/82/446320782.db2.gz BSUPAEVKSCXZFT-KRWDZBQOSA-N 2 1 341.496 1.101 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000417337801 446346278 /nfs/dbraw/zinc/34/62/78/446346278.db2.gz JEVHSJLUGPVKBO-ATZDWAIDSA-N 2 1 342.487 1.827 20 0 EDADMP Cc1cccnc1C1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000365813655 446352794 /nfs/dbraw/zinc/35/27/94/446352794.db2.gz RCWOIAKWOFAWDE-UHFFFAOYSA-N 2 1 331.464 1.258 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000417500377 446356030 /nfs/dbraw/zinc/35/60/30/446356030.db2.gz IKFRHMAFBACSPU-RTBURBONSA-N 2 1 344.503 1.802 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000417511788 446358244 /nfs/dbraw/zinc/35/82/44/446358244.db2.gz ZRXLBOCFGYAYMP-AEFFLSMTSA-N 2 1 330.476 1.554 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCCn2ccnc21 ZINC000365839168 446364606 /nfs/dbraw/zinc/36/46/06/446364606.db2.gz QMKZPRINZFUURW-GDBMZVCRSA-N 2 1 332.448 1.472 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000417816061 446374035 /nfs/dbraw/zinc/37/40/35/446374035.db2.gz BZKYFBJIIMECEF-RYRKJORJSA-N 2 1 330.476 1.900 20 0 EDADMP CC1CC[NH+](C2CCC(NC(=O)NCC(F)(F)C[NH3+])CC2)CC1 ZINC000417931338 446390543 /nfs/dbraw/zinc/39/05/43/446390543.db2.gz VPCJRYNSTJRNCL-UHFFFAOYSA-N 2 1 332.439 1.923 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418074676 446432349 /nfs/dbraw/zinc/43/23/49/446432349.db2.gz OBBRLYHZJHRBBH-SJLPKXTDSA-N 2 1 348.491 1.704 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC1(C)CC[NH2+]CC1)CCC(F)(F)F ZINC000418075537 446432433 /nfs/dbraw/zinc/43/24/33/446432433.db2.gz HEGOVIFKWLFJMX-UHFFFAOYSA-N 2 1 338.418 1.950 20 0 EDADMP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418081897 446435031 /nfs/dbraw/zinc/43/50/31/446435031.db2.gz WCSWWPAOHRJGBD-WBVHZDCISA-N 2 1 348.516 1.607 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)CCC(F)(F)F ZINC000418078653 446435483 /nfs/dbraw/zinc/43/54/83/446435483.db2.gz OPSWAHQIJDHOSZ-RWMBFGLXSA-N 2 1 336.402 1.639 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418099474 446440436 /nfs/dbraw/zinc/44/04/36/446440436.db2.gz NNUVMIXIXSFWDI-KRWDZBQOSA-N 2 1 347.507 1.981 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000420272457 446443449 /nfs/dbraw/zinc/44/34/49/446443449.db2.gz MCKSLDUZNIATSE-GOSISDBHSA-N 2 1 330.476 1.062 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000418165902 446443728 /nfs/dbraw/zinc/44/37/28/446443728.db2.gz IREAXSYZFSCMFZ-HNNXBMFYSA-N 2 1 327.517 1.027 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC[NH2+]CC1 ZINC000423173095 446446487 /nfs/dbraw/zinc/44/64/87/446446487.db2.gz WXGBIBAYCCMZPR-HZPDHXFCSA-N 3 1 325.497 1.629 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NCC[C@H](C)[NH3+])[C@@H]1c1ccccc1 ZINC000418175475 446447341 /nfs/dbraw/zinc/44/73/41/446447341.db2.gz FZEPLHMKOYFNDE-XIRDDKMYSA-N 2 1 334.464 1.485 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)NCC[C@H](C)[NH3+])[C@@H]1c1ccccc1 ZINC000418175475 446447350 /nfs/dbraw/zinc/44/73/50/446447350.db2.gz FZEPLHMKOYFNDE-XIRDDKMYSA-N 2 1 334.464 1.485 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000420282448 446449752 /nfs/dbraw/zinc/44/97/52/446449752.db2.gz MYILLIBIIXSHPC-WXSAJPJJSA-N 2 1 347.507 2.513 20 0 EDADMP Cn1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccc(F)cc2)n1 ZINC000423195208 446450430 /nfs/dbraw/zinc/45/04/30/446450430.db2.gz YVJUHTJJHOUHIC-GOSISDBHSA-N 2 1 331.439 1.534 20 0 EDADMP C[NH+]1CCC2(CCC[N@H+](Cc3nnnn3-c3ccccc3)C2)CC1 ZINC000366906119 446406115 /nfs/dbraw/zinc/40/61/15/446406115.db2.gz XGFOHHXVINQIHG-UHFFFAOYSA-N 2 1 326.448 1.970 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nnnn3-c3ccccc3)C2)CC1 ZINC000366906119 446406121 /nfs/dbraw/zinc/40/61/21/446406121.db2.gz XGFOHHXVINQIHG-UHFFFAOYSA-N 2 1 326.448 1.970 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000417996969 446411060 /nfs/dbraw/zinc/41/10/60/446411060.db2.gz REHFIOKVVKNNGB-OLMNPRSZSA-N 2 1 346.475 1.050 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC[N@H+]1C ZINC000418012703 446415499 /nfs/dbraw/zinc/41/54/99/446415499.db2.gz YBBDCOHKVHFLMZ-NRSFXHEJSA-N 2 1 330.476 1.853 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)C[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000370765725 446424192 /nfs/dbraw/zinc/42/41/92/446424192.db2.gz GYMMMZMNOPGILU-ZWKOTPCHSA-N 2 1 330.476 1.233 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NCCC[C@@H]2CCC[NH2+]2)n1 ZINC000420289532 446454779 /nfs/dbraw/zinc/45/47/79/446454779.db2.gz TWGVBRLOHNTSHQ-JZXOWHBKSA-N 2 1 347.507 1.880 20 0 EDADMP COC(=O)c1ccc2c(c1)nc(C[N@@H+]1CCC[C@H](CC[NH3+])C1)[nH]c2=O ZINC000420307533 446470726 /nfs/dbraw/zinc/47/07/26/446470726.db2.gz IVZBGNORENOABZ-GFCCVEGCSA-N 2 1 344.415 1.683 20 0 EDADMP COC(=O)c1ccc2c(c1)nc(C[N@H+]1CCC[C@H](CC[NH3+])C1)[nH]c2=O ZINC000420307533 446470728 /nfs/dbraw/zinc/47/07/28/446470728.db2.gz IVZBGNORENOABZ-GFCCVEGCSA-N 2 1 344.415 1.683 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000420311216 446473543 /nfs/dbraw/zinc/47/35/43/446473543.db2.gz QPWZNQQSRNGAFO-OSMBCOQSSA-N 2 1 345.443 1.147 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000420311216 446473550 /nfs/dbraw/zinc/47/35/50/446473550.db2.gz QPWZNQQSRNGAFO-OSMBCOQSSA-N 2 1 345.443 1.147 20 0 EDADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCN2CC[NH2+]CC2)C3)cc1 ZINC000423204165 446453483 /nfs/dbraw/zinc/45/34/83/446453483.db2.gz NWEFXDHYZKYQCK-ACDBMABISA-N 3 1 328.504 1.677 20 0 EDADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCN2CC[NH2+]CC2)C3)cc1 ZINC000423204165 446453490 /nfs/dbraw/zinc/45/34/90/446453490.db2.gz NWEFXDHYZKYQCK-ACDBMABISA-N 2 1 328.504 1.677 20 0 EDADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCN2CC[NH2+]CC2)C3)cc1 ZINC000423204165 446453496 /nfs/dbraw/zinc/45/34/96/446453496.db2.gz NWEFXDHYZKYQCK-ACDBMABISA-N 2 1 328.504 1.677 20 0 EDADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCN2CC[NH2+]CC2)C3)cc1 ZINC000423204165 446453504 /nfs/dbraw/zinc/45/35/04/446453504.db2.gz NWEFXDHYZKYQCK-ACDBMABISA-N 2 1 328.504 1.677 20 0 EDADMP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420317234 446483765 /nfs/dbraw/zinc/48/37/65/446483765.db2.gz ZAZZCMYBQCGJDX-NUEKZKHPSA-N 2 1 345.443 1.495 20 0 EDADMP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420317234 446483770 /nfs/dbraw/zinc/48/37/70/446483770.db2.gz ZAZZCMYBQCGJDX-NUEKZKHPSA-N 2 1 345.443 1.495 20 0 EDADMP Cc1ccsc1CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322402 446488050 /nfs/dbraw/zinc/48/80/50/446488050.db2.gz DZIAYJDZOHOPFD-CQSZACIVSA-N 2 1 337.489 1.360 20 0 EDADMP Cc1ccsc1CNC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322402 446488056 /nfs/dbraw/zinc/48/80/56/446488056.db2.gz DZIAYJDZOHOPFD-CQSZACIVSA-N 2 1 337.489 1.360 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCCC[NH2+]C2CC2)C[C@@H]1Cc1ccccc1 ZINC000418293630 446488414 /nfs/dbraw/zinc/48/84/14/446488414.db2.gz BQZPXGBXYZGKLN-SFHVURJKSA-N 2 1 330.476 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)NCCC[NH2+]C2CC2)C[C@@H]1Cc1ccccc1 ZINC000418293630 446488417 /nfs/dbraw/zinc/48/84/17/446488417.db2.gz BQZPXGBXYZGKLN-SFHVURJKSA-N 2 1 330.476 1.697 20 0 EDADMP CC(C)[C@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)[C@@H](C)[NH3+] ZINC000423333383 446491696 /nfs/dbraw/zinc/49/16/96/446491696.db2.gz ROEQLPJUVYVCSD-XYPHTWIQSA-N 2 1 346.475 1.694 20 0 EDADMP CC(C)[C@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)[C@@H](C)[NH3+] ZINC000423333383 446491701 /nfs/dbraw/zinc/49/17/01/446491701.db2.gz ROEQLPJUVYVCSD-XYPHTWIQSA-N 2 1 346.475 1.694 20 0 EDADMP CC(C)[C@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)[C@H](C)[NH3+] ZINC000423333382 446491718 /nfs/dbraw/zinc/49/17/18/446491718.db2.gz ROEQLPJUVYVCSD-XKQJLSEDSA-N 2 1 346.475 1.694 20 0 EDADMP CC(C)[C@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)[C@H](C)[NH3+] ZINC000423333382 446491720 /nfs/dbraw/zinc/49/17/20/446491720.db2.gz ROEQLPJUVYVCSD-XKQJLSEDSA-N 2 1 346.475 1.694 20 0 EDADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)CC12CCOCC2 ZINC000420326717 446493411 /nfs/dbraw/zinc/49/34/11/446493411.db2.gz KMXXMOSZUYBFPY-FUHWJXTLSA-N 2 1 343.471 1.869 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)CC12CCOCC2 ZINC000420326710 446493618 /nfs/dbraw/zinc/49/36/18/446493618.db2.gz KMHFPIPQJIDRAF-CQSZACIVSA-N 2 1 335.423 1.842 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000420326298 446493856 /nfs/dbraw/zinc/49/38/56/446493856.db2.gz JSJKKPUGTOSUST-HNNXBMFYSA-N 2 1 348.443 1.872 20 0 EDADMP C[C@H](C(=O)NCc1cccs1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331986 446502792 /nfs/dbraw/zinc/50/27/92/446502792.db2.gz RCKOIFBQGWHONW-ZIAGYGMSSA-N 2 1 337.489 1.440 20 0 EDADMP C[C@H](C(=O)NCc1cccs1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331986 446502798 /nfs/dbraw/zinc/50/27/98/446502798.db2.gz RCKOIFBQGWHONW-ZIAGYGMSSA-N 2 1 337.489 1.440 20 0 EDADMP CC(C)[C@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@@H](C)[NH3+] ZINC000423374219 446506746 /nfs/dbraw/zinc/50/67/46/446506746.db2.gz IBTMPSUGBIOKCL-XDNAFOTISA-N 2 1 338.540 1.623 20 0 EDADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000420342445 446513492 /nfs/dbraw/zinc/51/34/92/446513492.db2.gz PJWGVFRYEMFVEL-LSDHHAIUSA-N 2 1 347.459 1.964 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000420328903 446497617 /nfs/dbraw/zinc/49/76/17/446497617.db2.gz NKICXWONVKQDSY-FGTMMUONSA-N 2 1 343.471 1.428 20 0 EDADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000375071751 446561712 /nfs/dbraw/zinc/56/17/12/446561712.db2.gz QPDOYZBWUJRCKZ-YESZJQIVSA-N 2 1 335.423 1.046 20 0 EDADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000375071751 446561715 /nfs/dbraw/zinc/56/17/15/446561715.db2.gz QPDOYZBWUJRCKZ-YESZJQIVSA-N 2 1 335.423 1.046 20 0 EDADMP CS(=O)(=O)c1cccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420347633 446523701 /nfs/dbraw/zinc/52/37/01/446523701.db2.gz YXNKJWOMOCUBNT-GASCZTMLSA-N 2 1 338.473 1.400 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418403931 446532480 /nfs/dbraw/zinc/53/24/80/446532480.db2.gz IUBVGOJXDVVWGN-JENIJYKNSA-N 2 1 346.475 1.050 20 0 EDADMP COC[C@]1(CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC[NH2+]1 ZINC000423429695 446532975 /nfs/dbraw/zinc/53/29/75/446532975.db2.gz PFAGXAZETUHBMB-YTQUADARSA-N 2 1 332.492 1.650 20 0 EDADMP C[C@H](C(=O)NCC(F)(F)F)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000411428850 446538118 /nfs/dbraw/zinc/53/81/18/446538118.db2.gz PQVVYHBTYWSOQR-NEPJUHHUSA-N 2 1 332.370 1.742 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000418420278 446538382 /nfs/dbraw/zinc/53/83/82/446538382.db2.gz YZOWMLPTYAVLNX-RDHHWEPZSA-N 2 1 337.512 1.020 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433166175 446540837 /nfs/dbraw/zinc/54/08/37/446540837.db2.gz FGRUNMULLYKADG-KRWDZBQOSA-N 3 1 338.540 1.818 20 0 EDADMP C[C@H]1CCC[N@H+](CCCCNC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433166175 446540842 /nfs/dbraw/zinc/54/08/42/446540842.db2.gz FGRUNMULLYKADG-KRWDZBQOSA-N 2 1 338.540 1.818 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433166175 446540847 /nfs/dbraw/zinc/54/08/47/446540847.db2.gz FGRUNMULLYKADG-KRWDZBQOSA-N 2 1 338.540 1.818 20 0 EDADMP C[C@@H](NC[C@H]1C[N@H+](C)CCN1C)c1cc(-c2ccccc2)nn1C ZINC000453104010 446546655 /nfs/dbraw/zinc/54/66/55/446546655.db2.gz BVQAUZUGKQESGT-WBVHZDCISA-N 2 1 327.476 1.984 20 0 EDADMP C[C@@H](NC[C@H]1C[N@@H+](C)CCN1C)c1cc(-c2ccccc2)nn1C ZINC000453104010 446546660 /nfs/dbraw/zinc/54/66/60/446546660.db2.gz BVQAUZUGKQESGT-WBVHZDCISA-N 2 1 327.476 1.984 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000418477618 446557781 /nfs/dbraw/zinc/55/77/81/446557781.db2.gz YHDMUGUPQRDUQW-LSDHHAIUSA-N 2 1 326.485 1.399 20 0 EDADMP CC1=CC[NH+](CCNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433405448 446572057 /nfs/dbraw/zinc/57/20/57/446572057.db2.gz GBNDRQWWWFELMD-QGZVFWFLSA-N 2 1 338.496 1.439 20 0 EDADMP CC1=CC[N@H+](CCNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC000433405448 446572062 /nfs/dbraw/zinc/57/20/62/446572062.db2.gz GBNDRQWWWFELMD-QGZVFWFLSA-N 2 1 338.496 1.439 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC000433405448 446572065 /nfs/dbraw/zinc/57/20/65/446572065.db2.gz GBNDRQWWWFELMD-QGZVFWFLSA-N 2 1 338.496 1.439 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CC2([NH+](C)C)CCC2)CCCO1 ZINC000433464615 446577730 /nfs/dbraw/zinc/57/77/30/446577730.db2.gz DBTZGRNJSOOFKE-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000420405809 446577976 /nfs/dbraw/zinc/57/79/76/446577976.db2.gz UBQRCZWIKHICGJ-QZTJIDSGSA-N 2 1 344.503 1.321 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000423572429 446580338 /nfs/dbraw/zinc/58/03/38/446580338.db2.gz XFCLURITIHLNRG-INIZCTEOSA-N 2 1 332.448 1.287 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC2=CC[NH2+]CC2)C[C@H]1Cc1ccccc1 ZINC000418537779 446585579 /nfs/dbraw/zinc/58/55/79/446585579.db2.gz JUBHBKIECUGRFJ-GOSISDBHSA-N 2 1 328.460 1.474 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC2=CC[NH2+]CC2)C[C@H]1Cc1ccccc1 ZINC000418537779 446585582 /nfs/dbraw/zinc/58/55/82/446585582.db2.gz JUBHBKIECUGRFJ-GOSISDBHSA-N 2 1 328.460 1.474 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000418547797 446589825 /nfs/dbraw/zinc/58/98/25/446589825.db2.gz JWVQCPBLONHGDT-GOSISDBHSA-N 2 1 330.476 1.964 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CCC[NH2+][C@@H]3C)C2)nc(C)[nH+]1 ZINC000368008003 446619692 /nfs/dbraw/zinc/61/96/92/446619692.db2.gz HKFOGMJQMYUXKC-FVQBIDKESA-N 2 1 331.464 1.567 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@]2(COC)CCC[NH2+]2)[C@H](C)C1 ZINC000418658952 446637604 /nfs/dbraw/zinc/63/76/04/446637604.db2.gz VBIXODLUDFRHGR-HLLBOEOZSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000418667815 446642390 /nfs/dbraw/zinc/64/23/90/446642390.db2.gz GXIHMYHKFGTBQY-DZJNRPSUSA-N 2 1 328.460 1.368 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000418683215 446647772 /nfs/dbraw/zinc/64/77/72/446647772.db2.gz JOLJFZZOGNUXHE-FCGDIQPGSA-N 2 1 342.487 1.868 20 0 EDADMP C[N@@H+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000423730129 446664813 /nfs/dbraw/zinc/66/48/13/446664813.db2.gz NHEXHRKZQSUSPT-LJQANCHMSA-N 3 1 344.503 1.705 20 0 EDADMP C[N@H+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000423730129 446664818 /nfs/dbraw/zinc/66/48/18/446664818.db2.gz NHEXHRKZQSUSPT-LJQANCHMSA-N 3 1 344.503 1.705 20 0 EDADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000423743817 446673325 /nfs/dbraw/zinc/67/33/25/446673325.db2.gz MVISKZAUMGLCST-APWZRJJASA-N 2 1 344.503 1.948 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000371089002 446620775 /nfs/dbraw/zinc/62/07/75/446620775.db2.gz PXCBAMAICLKFQQ-JEBQAFNWSA-N 2 1 328.460 1.955 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000371089002 446620782 /nfs/dbraw/zinc/62/07/82/446620782.db2.gz PXCBAMAICLKFQQ-JEBQAFNWSA-N 2 1 328.460 1.955 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000371089002 446620791 /nfs/dbraw/zinc/62/07/91/446620791.db2.gz PXCBAMAICLKFQQ-JEBQAFNWSA-N 2 1 328.460 1.955 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371089002 446620796 /nfs/dbraw/zinc/62/07/96/446620796.db2.gz PXCBAMAICLKFQQ-JEBQAFNWSA-N 2 1 328.460 1.955 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)C2)C1 ZINC000418641872 446628984 /nfs/dbraw/zinc/62/89/84/446628984.db2.gz SRXIHQKWTQNWFA-HKUYNNGSSA-N 2 1 328.460 1.611 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418647512 446632132 /nfs/dbraw/zinc/63/21/32/446632132.db2.gz GRCHFWWFZGVEMF-WMZOPIPTSA-N 2 1 348.491 1.395 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000435338858 446689150 /nfs/dbraw/zinc/68/91/50/446689150.db2.gz KRCHPHLHYFSUPS-HOTGVXAUSA-N 2 1 333.480 2.236 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000435338858 446689160 /nfs/dbraw/zinc/68/91/60/446689160.db2.gz KRCHPHLHYFSUPS-HOTGVXAUSA-N 2 1 333.480 2.236 20 0 EDADMP CSC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C[C@H](O)CSC)CC2 ZINC000375316159 446714524 /nfs/dbraw/zinc/71/45/24/446714524.db2.gz WKMJAELFRXSCER-LSDHHAIUSA-N 2 1 348.578 1.222 20 0 EDADMP O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000375319404 446717292 /nfs/dbraw/zinc/71/72/92/446717292.db2.gz MGHMZXZMZYJJFA-SFHVURJKSA-N 2 1 343.471 1.355 20 0 EDADMP O=C(C[N@@H+]1C[C@H](O)C2(CC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000375319404 446717297 /nfs/dbraw/zinc/71/72/97/446717297.db2.gz MGHMZXZMZYJJFA-SFHVURJKSA-N 2 1 343.471 1.355 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000371269364 446729149 /nfs/dbraw/zinc/72/91/49/446729149.db2.gz SSLXGESAWBHROD-MOPGFXCFSA-N 2 1 344.503 1.228 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000371269364 446729156 /nfs/dbraw/zinc/72/91/56/446729156.db2.gz SSLXGESAWBHROD-MOPGFXCFSA-N 2 1 344.503 1.228 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000371269364 446729164 /nfs/dbraw/zinc/72/91/64/446729164.db2.gz SSLXGESAWBHROD-MOPGFXCFSA-N 2 1 344.503 1.228 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)CC[N@H+]1C ZINC000371287913 446746211 /nfs/dbraw/zinc/74/62/11/446746211.db2.gz VCBUNZZIGRFGBE-VQHPVUNQSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2C[NH+]3CCCC[C@@H]3CO2)CC[N@H+]1C ZINC000371287913 446746225 /nfs/dbraw/zinc/74/62/25/446746225.db2.gz VCBUNZZIGRFGBE-VQHPVUNQSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)CC[NH+]1C ZINC000371287913 446746231 /nfs/dbraw/zinc/74/62/31/446746231.db2.gz VCBUNZZIGRFGBE-VQHPVUNQSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)CC[NH+]1C ZINC000371287913 446746238 /nfs/dbraw/zinc/74/62/38/446746238.db2.gz VCBUNZZIGRFGBE-VQHPVUNQSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[C@@H]1COCC[NH+]1CCCC[N@@H+]1CCOC[C@@H]1CCOC ZINC000368283184 446758965 /nfs/dbraw/zinc/75/89/65/446758965.db2.gz WDYMQTSRXVFNFP-HDICACEKSA-N 2 1 344.496 1.241 20 0 EDADMP COCC[C@@H]1COCC[N@H+]1CCCC[NH+]1CCOC[C@@H]1CCOC ZINC000368283184 446758969 /nfs/dbraw/zinc/75/89/69/446758969.db2.gz WDYMQTSRXVFNFP-HDICACEKSA-N 2 1 344.496 1.241 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000371329566 446780422 /nfs/dbraw/zinc/78/04/22/446780422.db2.gz KSPRFRGTINZLDH-KRWDZBQOSA-N 2 1 334.464 1.685 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000371329566 446780428 /nfs/dbraw/zinc/78/04/28/446780428.db2.gz KSPRFRGTINZLDH-KRWDZBQOSA-N 2 1 334.464 1.685 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000418945522 446818416 /nfs/dbraw/zinc/81/84/16/446818416.db2.gz PSGHXXKKNVTXPQ-QGZVFWFLSA-N 2 1 348.491 1.066 20 0 EDADMP COc1cccc(CNC(=O)[C@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)c1 ZINC000371491133 446888085 /nfs/dbraw/zinc/88/80/85/446888085.db2.gz LQUDPADGTCTWBK-HOCLYGCPSA-N 2 1 342.443 1.809 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454536846 446905130 /nfs/dbraw/zinc/90/51/30/446905130.db2.gz GLERZXBMXQBNRS-MRXNPFEDSA-N 2 1 326.485 1.272 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C[C@H]21 ZINC000371552510 446928867 /nfs/dbraw/zinc/92/88/67/446928867.db2.gz JBYLSNRKLBCKFR-IAGOWNOFSA-N 2 1 335.492 1.574 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000442753775 446952142 /nfs/dbraw/zinc/95/21/42/446952142.db2.gz AAGJFSNWFLNZSB-AEFFLSMTSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000442753775 446952147 /nfs/dbraw/zinc/95/21/47/446952147.db2.gz AAGJFSNWFLNZSB-AEFFLSMTSA-N 2 1 345.487 1.863 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000442786147 446967010 /nfs/dbraw/zinc/96/70/10/446967010.db2.gz VCHRPCHSCBRADY-MAUKXSAKSA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000442786147 446967014 /nfs/dbraw/zinc/96/70/14/446967014.db2.gz VCHRPCHSCBRADY-MAUKXSAKSA-N 2 1 333.476 1.897 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000442783307 446968030 /nfs/dbraw/zinc/96/80/30/446968030.db2.gz RCFKBTRUQQRXMK-QPSCCSFWSA-N 2 1 347.459 1.693 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000442783307 446968035 /nfs/dbraw/zinc/96/80/35/446968035.db2.gz RCFKBTRUQQRXMK-QPSCCSFWSA-N 2 1 347.459 1.693 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCC(C)CC1 ZINC000377173650 446969885 /nfs/dbraw/zinc/96/98/85/446969885.db2.gz PJRIPSJUFMCEPZ-IKGGRYGDSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](OCCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000442791183 446970147 /nfs/dbraw/zinc/97/01/47/446970147.db2.gz NGDZJAHGEXUPIK-ULQDDVLXSA-N 2 1 333.476 1.940 20 0 EDADMP C[C@H](OCCCNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000442791183 446970153 /nfs/dbraw/zinc/97/01/53/446970153.db2.gz NGDZJAHGEXUPIK-ULQDDVLXSA-N 2 1 333.476 1.940 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000419166603 446983938 /nfs/dbraw/zinc/98/39/38/446983938.db2.gz HOLSOEBSYKTQQC-JKSUJKDBSA-N 2 1 340.512 1.055 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](O)COC(C)(C)C)CC2)CC1 ZINC000421012836 446986519 /nfs/dbraw/zinc/98/65/19/446986519.db2.gz QSZIIMBXIYSABT-GOSISDBHSA-N 2 1 341.540 1.654 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000368699905 447048896 /nfs/dbraw/zinc/04/88/96/447048896.db2.gz KRLHCNYZMVIYFW-INIZCTEOSA-N 2 1 345.491 1.247 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000372427971 447057755 /nfs/dbraw/zinc/05/77/55/447057755.db2.gz KMLGCQJCYFRVNL-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000368711331 447058765 /nfs/dbraw/zinc/05/87/65/447058765.db2.gz DDDBCYGDMZBQDN-GJZGRUSLSA-N 2 1 349.504 1.071 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000368712547 447059267 /nfs/dbraw/zinc/05/92/67/447059267.db2.gz OQMAPWWTVPWMGJ-ZACQAIPSSA-N 2 1 345.491 1.897 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@]3(C)CCO[C@@H]3C3CC3)cn2)CC1 ZINC000368762634 447090750 /nfs/dbraw/zinc/09/07/50/447090750.db2.gz AFBNTWCBGYCUJL-IEBWSBKVSA-N 2 1 345.491 1.523 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000419406865 447156495 /nfs/dbraw/zinc/15/64/95/447156495.db2.gz JMEBAQPQIGGIJB-INIZCTEOSA-N 2 1 338.496 1.097 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425473341 447180716 /nfs/dbraw/zinc/18/07/16/447180716.db2.gz JVHONZDRFBDCJA-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425473341 447180725 /nfs/dbraw/zinc/18/07/25/447180725.db2.gz JVHONZDRFBDCJA-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425473341 447180731 /nfs/dbraw/zinc/18/07/31/447180731.db2.gz JVHONZDRFBDCJA-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCC[NH+](C)C1CC1 ZINC000455608291 447183785 /nfs/dbraw/zinc/18/37/85/447183785.db2.gz JTAAPTSEXSIWLS-OAHLLOKOSA-N 2 1 340.512 1.347 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2C[C@@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000419458033 447193261 /nfs/dbraw/zinc/19/32/61/447193261.db2.gz YHUYRDQNERTWOK-BRWVUGGUSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](C(=O)NC1CCN(c2[nH+]ccn2C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000377567126 447211258 /nfs/dbraw/zinc/21/12/58/447211258.db2.gz POKKAMKAUHIXBL-QLFBSQMISA-N 2 1 333.480 1.766 20 0 EDADMP C[C@H](C(=O)NC1CCN(c2[nH+]ccn2C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000377567126 447211262 /nfs/dbraw/zinc/21/12/62/447211262.db2.gz POKKAMKAUHIXBL-QLFBSQMISA-N 2 1 333.480 1.766 20 0 EDADMP C[C@H](CCNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+]1CCCCC1 ZINC000419484635 447215125 /nfs/dbraw/zinc/21/51/25/447215125.db2.gz XFRGJCSZRGYVHU-IKGGRYGDSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C[N@H+]1C1CC1 ZINC000372699550 447231811 /nfs/dbraw/zinc/23/18/11/447231811.db2.gz CUYFYZJEAOUTFP-WBVHZDCISA-N 2 1 345.491 1.724 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000377599144 447234774 /nfs/dbraw/zinc/23/47/74/447234774.db2.gz QQRJKZMSRGIEFM-NRSFXHEJSA-N 2 1 331.460 1.126 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C ZINC000419513966 447235908 /nfs/dbraw/zinc/23/59/08/447235908.db2.gz NGOBVKVFRCAIGD-PMPSAXMXSA-N 2 1 328.501 1.203 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](CO)(C(C)C)C2)CC1 ZINC000377647014 447268495 /nfs/dbraw/zinc/26/84/95/447268495.db2.gz FAIFIVZMZQOLTQ-GOSISDBHSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000372825284 447303013 /nfs/dbraw/zinc/30/30/13/447303013.db2.gz MYMHKFIAPUKWIV-DOTOQJQBSA-N 2 1 345.491 1.897 20 0 EDADMP C[C@@H](CC[NH2+]C[C@H](O)CN1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000379631021 447453039 /nfs/dbraw/zinc/45/30/39/447453039.db2.gz LQFZLJZIJXRYQF-HKUYNNGSSA-N 2 1 335.492 1.180 20 0 EDADMP C[C@@H](CCNC(=O)COC1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000379667741 447454083 /nfs/dbraw/zinc/45/40/83/447454083.db2.gz BUMQCZYMHMKQRA-INIZCTEOSA-N 2 1 333.476 1.782 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000458833262 447485454 /nfs/dbraw/zinc/48/54/54/447485454.db2.gz AOVNMDDLWIJJOU-QGZVFWFLSA-N 2 1 338.496 1.082 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000458833262 447485462 /nfs/dbraw/zinc/48/54/62/447485462.db2.gz AOVNMDDLWIJJOU-QGZVFWFLSA-N 2 1 338.496 1.082 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000458833262 447485468 /nfs/dbraw/zinc/48/54/68/447485468.db2.gz AOVNMDDLWIJJOU-QGZVFWFLSA-N 2 1 338.496 1.082 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000390748648 447496882 /nfs/dbraw/zinc/49/68/82/447496882.db2.gz RDSFYCROCXGBRJ-IEBWSBKVSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419938017 447502582 /nfs/dbraw/zinc/50/25/82/447502582.db2.gz WMRJTBFWKMWRSL-UXLLHSPISA-N 2 1 346.475 1.182 20 0 EDADMP CC(C)([NH3+])CCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390871533 447504956 /nfs/dbraw/zinc/50/49/56/447504956.db2.gz QCVFVUHWNRVNGM-KRWDZBQOSA-N 2 1 333.476 1.911 20 0 EDADMP C[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCC[NH2+]1 ZINC000390924639 447506142 /nfs/dbraw/zinc/50/61/42/447506142.db2.gz IWOSQKKZRFTOPL-UYAOXDASSA-N 2 1 345.487 1.926 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCCC[NH2+]1 ZINC000390942806 447507125 /nfs/dbraw/zinc/50/71/25/447507125.db2.gz QZMHMQRYWUEERZ-QZTJIDSGSA-N 2 1 331.460 1.536 20 0 EDADMP CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000391054236 447509138 /nfs/dbraw/zinc/50/91/38/447509138.db2.gz IFVBSDRNSVLRMK-RBUKOAKNSA-N 2 1 336.476 1.653 20 0 EDADMP CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000391054236 447509146 /nfs/dbraw/zinc/50/91/46/447509146.db2.gz IFVBSDRNSVLRMK-RBUKOAKNSA-N 2 1 336.476 1.653 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC000450365794 447469916 /nfs/dbraw/zinc/46/99/16/447469916.db2.gz QBPRIMMJRNJSFT-INIZCTEOSA-N 2 1 331.451 1.759 20 0 EDADMP CC(C)[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000393083965 447529194 /nfs/dbraw/zinc/52/91/94/447529194.db2.gz IIIZBCHHSYRCIX-RBUKOAKNSA-N 2 1 346.519 1.855 20 0 EDADMP COC1(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000396323097 447543209 /nfs/dbraw/zinc/54/32/09/447543209.db2.gz AZUKBBLGAHJPDD-MRXNPFEDSA-N 2 1 331.460 1.488 20 0 EDADMP COC1(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000396323097 447543213 /nfs/dbraw/zinc/54/32/13/447543213.db2.gz AZUKBBLGAHJPDD-MRXNPFEDSA-N 2 1 331.460 1.488 20 0 EDADMP COCCCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000397965361 447553492 /nfs/dbraw/zinc/55/34/92/447553492.db2.gz GQDFXJUOTCKEGQ-SJLPKXTDSA-N 2 1 333.476 1.639 20 0 EDADMP COCCCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000397965361 447553497 /nfs/dbraw/zinc/55/34/97/447553497.db2.gz GQDFXJUOTCKEGQ-SJLPKXTDSA-N 2 1 333.476 1.639 20 0 EDADMP C[NH+](C)C[C@H](O)COc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000427161346 447555418 /nfs/dbraw/zinc/55/54/18/447555418.db2.gz GKISYNUTSCGKKE-FUHWJXTLSA-N 2 1 347.459 1.553 20 0 EDADMP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000398192914 447557063 /nfs/dbraw/zinc/55/70/63/447557063.db2.gz ZYOPEHHUYDJMGL-POAQFYNOSA-N 2 1 345.487 1.639 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@H](C)CO ZINC000450728432 447558944 /nfs/dbraw/zinc/55/89/44/447558944.db2.gz LMMZEHHUNJBHCP-BRWVUGGUSA-N 2 1 333.476 1.498 20 0 EDADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000420037520 447560622 /nfs/dbraw/zinc/56/06/22/447560622.db2.gz JUYNAMLGSDSOCC-WBVHZDCISA-N 2 1 341.883 1.762 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@@H]1C ZINC000459095407 447572234 /nfs/dbraw/zinc/57/22/34/447572234.db2.gz HXDJEZCROQEBBM-HNNXBMFYSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@@H]1C ZINC000459095407 447572241 /nfs/dbraw/zinc/57/22/41/447572241.db2.gz HXDJEZCROQEBBM-HNNXBMFYSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C[C@@H]1C ZINC000420127922 447620484 /nfs/dbraw/zinc/62/04/84/447620484.db2.gz PBFAWFRGUYDZOY-SOUVJXGZSA-N 2 1 346.475 1.264 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C[C@@H]1C ZINC000420127922 447620489 /nfs/dbraw/zinc/62/04/89/447620489.db2.gz PBFAWFRGUYDZOY-SOUVJXGZSA-N 2 1 346.475 1.264 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416884606 447701475 /nfs/dbraw/zinc/70/14/75/447701475.db2.gz PIDVUMAGLJFLJF-YJBOKZPZSA-N 2 1 346.475 1.398 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1OC ZINC000422632311 447678559 /nfs/dbraw/zinc/67/85/59/447678559.db2.gz GOTVYFMAVHNICA-YCPHGPKFSA-N 2 1 349.475 1.625 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1OC ZINC000422632311 447678566 /nfs/dbraw/zinc/67/85/66/447678566.db2.gz GOTVYFMAVHNICA-YCPHGPKFSA-N 2 1 349.475 1.625 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+]1CCC(C)CC1 ZINC000458055097 447710211 /nfs/dbraw/zinc/71/02/11/447710211.db2.gz VEEDZFYEODCAAU-SJORKVTESA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000496109263 447714247 /nfs/dbraw/zinc/71/42/47/447714247.db2.gz RARGKNZIWQQWRC-FVQBIDKESA-N 2 1 341.496 1.819 20 0 EDADMP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000496109263 447714251 /nfs/dbraw/zinc/71/42/51/447714251.db2.gz RARGKNZIWQQWRC-FVQBIDKESA-N 2 1 341.496 1.819 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000417108678 447734755 /nfs/dbraw/zinc/73/47/55/447734755.db2.gz JOQUMEZFFGGDPN-NFAWXSAZSA-N 2 1 336.505 1.934 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000417108678 447734759 /nfs/dbraw/zinc/73/47/59/447734759.db2.gz JOQUMEZFFGGDPN-NFAWXSAZSA-N 2 1 336.505 1.934 20 0 EDADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000422754714 447740541 /nfs/dbraw/zinc/74/05/41/447740541.db2.gz AQXCPLAFNIZBPA-ICSRJNTNSA-N 2 1 330.520 1.782 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)CC[NH2+]CC1 ZINC000422775541 447747245 /nfs/dbraw/zinc/74/72/45/447747245.db2.gz BSRDMVAXCGEPJC-HNNXBMFYSA-N 3 1 336.480 1.883 20 0 EDADMP CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471843797 447814829 /nfs/dbraw/zinc/81/48/29/447814829.db2.gz IGNUDQWYHWAXMQ-SJORKVTESA-N 2 1 346.475 1.504 20 0 EDADMP CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471843797 447814831 /nfs/dbraw/zinc/81/48/31/447814831.db2.gz IGNUDQWYHWAXMQ-SJORKVTESA-N 2 1 346.475 1.504 20 0 EDADMP CNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471850684 447815649 /nfs/dbraw/zinc/81/56/49/447815649.db2.gz MZGDWKPWPWFPPF-CVEARBPZSA-N 2 1 332.448 1.114 20 0 EDADMP CNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471850684 447815651 /nfs/dbraw/zinc/81/56/51/447815651.db2.gz MZGDWKPWPWFPPF-CVEARBPZSA-N 2 1 332.448 1.114 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000430595553 447782300 /nfs/dbraw/zinc/78/23/00/447782300.db2.gz MXJYVYQSYSEISQ-OFQRWUPVSA-N 2 1 349.475 1.768 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000430595553 447782302 /nfs/dbraw/zinc/78/23/02/447782302.db2.gz MXJYVYQSYSEISQ-OFQRWUPVSA-N 2 1 349.475 1.768 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000431023652 447789988 /nfs/dbraw/zinc/78/99/88/447789988.db2.gz MOOKYMJBDCKUBJ-KURKYZTESA-N 2 1 338.540 1.674 20 0 EDADMP COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1OC ZINC000423001372 447790255 /nfs/dbraw/zinc/79/02/55/447790255.db2.gz IAZJHYBHZDGGDW-UAGQMJEPSA-N 2 1 348.443 1.729 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487580473 447834370 /nfs/dbraw/zinc/83/43/70/447834370.db2.gz ZFKIKDHNQGBAKQ-DLBZAZTESA-N 2 1 340.512 1.395 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(C)C ZINC000487702536 447836303 /nfs/dbraw/zinc/83/63/03/447836303.db2.gz ZTEOKFLNPOWWPU-DLBZAZTESA-N 2 1 340.512 1.394 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000522924906 447864282 /nfs/dbraw/zinc/86/42/82/447864282.db2.gz MNTLXTGBEYGQFY-ZWKOTPCHSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522924906 447864286 /nfs/dbraw/zinc/86/42/86/447864286.db2.gz MNTLXTGBEYGQFY-ZWKOTPCHSA-N 2 1 330.476 1.894 20 0 EDADMP O=C(NCC[NH+]1CC=CCC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530304665 447856330 /nfs/dbraw/zinc/85/63/30/447856330.db2.gz WAEWCSZDEAKFMQ-IBGZPJMESA-N 2 1 329.444 1.002 20 0 EDADMP O=C(NCC[N@H+]1CC=CCC1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000530304665 447856333 /nfs/dbraw/zinc/85/63/33/447856333.db2.gz WAEWCSZDEAKFMQ-IBGZPJMESA-N 2 1 329.444 1.002 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000530304665 447856336 /nfs/dbraw/zinc/85/63/36/447856336.db2.gz WAEWCSZDEAKFMQ-IBGZPJMESA-N 2 1 329.444 1.002 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530574991 447917172 /nfs/dbraw/zinc/91/71/72/447917172.db2.gz QAYZLEHLTWORFK-QUCCMNQESA-N 2 1 345.487 1.470 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530574991 447917176 /nfs/dbraw/zinc/91/71/76/447917176.db2.gz QAYZLEHLTWORFK-QUCCMNQESA-N 2 1 345.487 1.470 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000576160595 447987168 /nfs/dbraw/zinc/98/71/68/447987168.db2.gz QFAOGSNBSYQVPY-FZKCQIBNSA-N 2 1 340.512 1.103 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000576091994 447968023 /nfs/dbraw/zinc/96/80/23/447968023.db2.gz OGRADVYLXPXPJN-HZPDHXFCSA-N 2 1 340.512 1.565 20 0 EDADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000531189055 448035050 /nfs/dbraw/zinc/03/50/50/448035050.db2.gz LLTKULZQPOIJIM-OAHLLOKOSA-N 2 1 348.495 1.922 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+](C[C@H]1CCOC1)C1CC1)C[NH+]1CCC2CC1 ZINC000497284761 448038789 /nfs/dbraw/zinc/03/87/89/448038789.db2.gz IRDBLVXDXQOKNX-RDTXWAMCSA-N 2 1 335.448 1.361 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496925007 448041780 /nfs/dbraw/zinc/04/17/80/448041780.db2.gz NFIXLZNJDHSEAP-SQWLQELKSA-N 2 1 341.496 1.725 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496925007 448041785 /nfs/dbraw/zinc/04/17/85/448041785.db2.gz NFIXLZNJDHSEAP-SQWLQELKSA-N 2 1 341.496 1.725 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000531481413 448090733 /nfs/dbraw/zinc/09/07/33/448090733.db2.gz PZNIKCMNVDTZBW-HNNXBMFYSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)[C@@H]3CCOC3)CC2)CC1 ZINC000576647012 448105648 /nfs/dbraw/zinc/10/56/48/448105648.db2.gz OLERRMWNSFCESJ-DOTOQJQBSA-N 2 1 337.508 1.724 20 0 EDADMP CCOCC[C@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000571158354 448113464 /nfs/dbraw/zinc/11/34/64/448113464.db2.gz FYYUMEQBKARHGQ-OALUTQOASA-N 2 1 336.476 1.655 20 0 EDADMP CCOCC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000571158354 448113470 /nfs/dbraw/zinc/11/34/70/448113470.db2.gz FYYUMEQBKARHGQ-OALUTQOASA-N 2 1 336.476 1.655 20 0 EDADMP Cn1cc(-c2ncc(C[N@H+]3CCCC34CC[NH+](C)CC4)cn2)cn1 ZINC000526985039 448131793 /nfs/dbraw/zinc/13/17/93/448131793.db2.gz JIZZKFRDTOUYCS-UHFFFAOYSA-N 2 1 326.448 1.937 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000571303870 448132789 /nfs/dbraw/zinc/13/27/89/448132789.db2.gz BZBSJBNOLRANRQ-BPQIPLTHSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)Cn3cccn3)c2)CCO1 ZINC000571316367 448137311 /nfs/dbraw/zinc/13/73/11/448137311.db2.gz WNUNGDHXRCRQCV-VQIMIIECSA-N 2 1 344.459 1.255 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)Cn3cccn3)c2)CCO1 ZINC000571316367 448137313 /nfs/dbraw/zinc/13/73/13/448137313.db2.gz WNUNGDHXRCRQCV-VQIMIIECSA-N 2 1 344.459 1.255 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCC1 ZINC000527076237 448153203 /nfs/dbraw/zinc/15/32/03/448153203.db2.gz OPJBBDNMDRKWMF-CVEARBPZSA-N 2 1 338.496 1.413 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@H]1CC ZINC000514788929 448204172 /nfs/dbraw/zinc/20/41/72/448204172.db2.gz APDDGDRYQIGLIA-IEBWSBKVSA-N 2 1 345.487 1.833 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)CC[C@H]21 ZINC000497057632 448164158 /nfs/dbraw/zinc/16/41/58/448164158.db2.gz VSWIBFBXITUGSW-SUMDDJOVSA-N 2 1 348.491 1.277 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1cncc(O)c1 ZINC000492517199 448228803 /nfs/dbraw/zinc/22/88/03/448228803.db2.gz DQJQVIPRBLDXRK-QWPQOLDESA-N 2 1 346.475 1.675 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2F)CC1 ZINC000582419902 448233807 /nfs/dbraw/zinc/23/38/07/448233807.db2.gz NOUHWWOHKHFVLI-UHFFFAOYSA-N 2 1 334.439 1.529 20 0 EDADMP C[C@H](CNC(=O)NCC1=CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000582475488 448247050 /nfs/dbraw/zinc/24/70/50/448247050.db2.gz OSDKYOMKWYTVAW-CYBMUJFWSA-N 2 1 334.489 1.714 20 0 EDADMP C[C@H](CNC(=O)NCC1=CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000582475488 448247057 /nfs/dbraw/zinc/24/70/57/448247057.db2.gz OSDKYOMKWYTVAW-CYBMUJFWSA-N 2 1 334.489 1.714 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2)C[C@@H](C)O1 ZINC000591097610 448261288 /nfs/dbraw/zinc/26/12/88/448261288.db2.gz PCVHBSMOJMGEKF-MDZRGWNJSA-N 2 1 345.487 1.864 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000582723493 448321319 /nfs/dbraw/zinc/32/13/19/448321319.db2.gz HJFOIDBVRTVSSS-NVXWUHKLSA-N 2 1 333.480 1.612 20 0 EDADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000515497295 448323280 /nfs/dbraw/zinc/32/32/80/448323280.db2.gz WEAJYZLZJLWFRO-ROUUACIJSA-N 2 1 336.476 1.419 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000515497295 448323285 /nfs/dbraw/zinc/32/32/85/448323285.db2.gz WEAJYZLZJLWFRO-ROUUACIJSA-N 2 1 336.476 1.419 20 0 EDADMP C[C@@]1(C(=O)N2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)CCC[NH2+]1 ZINC000582787067 448340762 /nfs/dbraw/zinc/34/07/62/448340762.db2.gz VSIIEIFUQDLERT-IBGZPJMESA-N 2 1 345.491 1.725 20 0 EDADMP CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000515750432 448346077 /nfs/dbraw/zinc/34/60/77/448346077.db2.gz ITCFHXWSCLIXBH-YOEHRIQHSA-N 2 1 332.448 1.833 20 0 EDADMP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)C1=CC[N@H+](C)CC1 ZINC000572357293 448355620 /nfs/dbraw/zinc/35/56/20/448355620.db2.gz OCTUWCCMWVWKEI-ZDUSSCGKSA-N 2 1 326.437 1.839 20 0 EDADMP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)C1=CC[N@@H+](C)CC1 ZINC000572357293 448355629 /nfs/dbraw/zinc/35/56/29/448355629.db2.gz OCTUWCCMWVWKEI-ZDUSSCGKSA-N 2 1 326.437 1.839 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000577866382 448406609 /nfs/dbraw/zinc/40/66/09/448406609.db2.gz LFSXHQRTVMNHLR-RYQLBKOJSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000577866382 448406617 /nfs/dbraw/zinc/40/66/17/448406617.db2.gz LFSXHQRTVMNHLR-RYQLBKOJSA-N 2 1 331.460 1.534 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C[NH2+]C2CC2)C1 ZINC000516297019 448410741 /nfs/dbraw/zinc/41/07/41/448410741.db2.gz NNFGCONKKAZTLA-AWEZNQCLSA-N 2 1 330.432 1.074 20 0 EDADMP CCC[C@@H]1CN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000572647263 448430927 /nfs/dbraw/zinc/43/09/27/448430927.db2.gz GVDMZXGSGJBPSL-FGTMMUONSA-N 2 1 339.524 1.972 20 0 EDADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)C[C@H]1c1ccccc1 ZINC000578137490 448470711 /nfs/dbraw/zinc/47/07/11/448470711.db2.gz JZDHEWWYRTVYIZ-SJORKVTESA-N 2 1 331.460 1.694 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)C[C@H]1c1ccccc1 ZINC000578137490 448470714 /nfs/dbraw/zinc/47/07/14/448470714.db2.gz JZDHEWWYRTVYIZ-SJORKVTESA-N 2 1 331.460 1.694 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000516770966 448471585 /nfs/dbraw/zinc/47/15/85/448471585.db2.gz WISBHGVQFCWBGO-CABCVRRESA-N 2 1 328.840 1.126 20 0 EDADMP C[C@H](CNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)[N@H+]1CCC[C@H](C)C1 ZINC000578117348 448463738 /nfs/dbraw/zinc/46/37/38/448463738.db2.gz UUKQWAWVOTUWIV-VVLHAWIVSA-N 2 1 338.496 1.269 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000591727503 448473775 /nfs/dbraw/zinc/47/37/75/448473775.db2.gz DRIMXWPZJKWUSB-WMLDXEAASA-N 2 1 348.443 1.287 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)CC[NH2+]C3CC3)cc2)CC1 ZINC000516783469 448474573 /nfs/dbraw/zinc/47/45/73/448474573.db2.gz BACRPJBXAGNVDF-UHFFFAOYSA-N 2 1 344.503 1.582 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCOC[C@H]3C)CC2)CC1 ZINC000566449762 448477167 /nfs/dbraw/zinc/47/71/67/448477167.db2.gz RQQQDECFVGOJPC-QAPCUYQASA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000572855470 448482241 /nfs/dbraw/zinc/48/22/41/448482241.db2.gz ZQJLWOBXDYSYJU-KGLIPLIRSA-N 2 1 336.505 1.794 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000572855470 448482246 /nfs/dbraw/zinc/48/22/46/448482246.db2.gz ZQJLWOBXDYSYJU-KGLIPLIRSA-N 2 1 336.505 1.794 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000566797164 448561084 /nfs/dbraw/zinc/56/10/84/448561084.db2.gz GXBMHFJILAVRPZ-ROUUACIJSA-N 2 1 336.476 1.417 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000573305393 448592168 /nfs/dbraw/zinc/59/21/68/448592168.db2.gz YTOXMFKEWDCJJO-MAUKXSAKSA-N 2 1 347.459 1.160 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000573305393 448592169 /nfs/dbraw/zinc/59/21/69/448592169.db2.gz YTOXMFKEWDCJJO-MAUKXSAKSA-N 2 1 347.459 1.160 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccc(OCC(F)F)cc3)CCN2C1=O ZINC000573339529 448603893 /nfs/dbraw/zinc/60/38/93/448603893.db2.gz NXHGSDMYCDVHHN-GXTWGEPZSA-N 2 1 325.359 1.074 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)CCN2C1=O ZINC000573339529 448603897 /nfs/dbraw/zinc/60/38/97/448603897.db2.gz NXHGSDMYCDVHHN-GXTWGEPZSA-N 2 1 325.359 1.074 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528714807 448641389 /nfs/dbraw/zinc/64/13/89/448641389.db2.gz RYRMJRXXUSFPHZ-MRXNPFEDSA-N 2 1 332.448 1.973 20 0 EDADMP C[C@@H]1CC[NH2+]CC[C@H]1NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000567226799 448642369 /nfs/dbraw/zinc/64/23/69/448642369.db2.gz FFLHQOJVNPHOEL-IEBWSBKVSA-N 2 1 330.520 1.958 20 0 EDADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000567353038 448674879 /nfs/dbraw/zinc/67/48/79/448674879.db2.gz YCVPPZGHVRCIID-KBPBESRZSA-N 2 1 344.883 1.681 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]CCC(=O)Nc2cccc(F)c2)CC1(C)C ZINC000573557413 448656990 /nfs/dbraw/zinc/65/69/90/448656990.db2.gz AVNSYIDLAGHCJC-UHFFFAOYSA-N 2 1 336.455 1.770 20 0 EDADMP C[NH+]1CCC(C)(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000540964026 448659873 /nfs/dbraw/zinc/65/98/73/448659873.db2.gz QMOUSDFIDFUFSU-FQEVSTJZSA-N 2 1 345.487 1.472 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000579060619 448702624 /nfs/dbraw/zinc/70/26/24/448702624.db2.gz RIBZFIWGADLXJM-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP CCOC(=O)C(C)(C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000573992850 448764774 /nfs/dbraw/zinc/76/47/74/448764774.db2.gz MQPRKLGZLVBRGD-UHFFFAOYSA-N 2 1 348.447 1.751 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000573917404 448746950 /nfs/dbraw/zinc/74/69/50/448746950.db2.gz TVDFWGYUFSUBHG-RVKKMQEKSA-N 2 1 345.487 1.877 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000573917404 448746954 /nfs/dbraw/zinc/74/69/54/448746954.db2.gz TVDFWGYUFSUBHG-RVKKMQEKSA-N 2 1 345.487 1.877 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)C[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000519147809 448747829 /nfs/dbraw/zinc/74/78/29/448747829.db2.gz WPNTWWGHBRUPEP-HUUCEWRRSA-N 2 1 336.505 1.295 20 0 EDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000519162004 448748910 /nfs/dbraw/zinc/74/89/10/448748910.db2.gz WQONOPZGZZFQAQ-QUCCMNQESA-N 2 1 330.520 1.877 20 0 EDADMP C[C@@H]1C[C@@H](N(C)CCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000519162004 448748916 /nfs/dbraw/zinc/74/89/16/448748916.db2.gz WQONOPZGZZFQAQ-QUCCMNQESA-N 3 1 330.520 1.877 20 0 EDADMP C[C@@H]1C[C@@H](N(C)CCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000519162004 448748919 /nfs/dbraw/zinc/74/89/19/448748919.db2.gz WQONOPZGZZFQAQ-QUCCMNQESA-N 3 1 330.520 1.877 20 0 EDADMP C[C@@H]1C[C@@H]([NH+](C)CCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000519162004 448748924 /nfs/dbraw/zinc/74/89/24/448748924.db2.gz WQONOPZGZZFQAQ-QUCCMNQESA-N 3 1 330.520 1.877 20 0 EDADMP C[C@@H]1C[C@@H]([NH+](C)CCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000519162004 448748930 /nfs/dbraw/zinc/74/89/30/448748930.db2.gz WQONOPZGZZFQAQ-QUCCMNQESA-N 3 1 330.520 1.877 20 0 EDADMP C[C@@H]1C[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000519162004 448748935 /nfs/dbraw/zinc/74/89/35/448748935.db2.gz WQONOPZGZZFQAQ-QUCCMNQESA-N 3 1 330.520 1.877 20 0 EDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000519162004 448748941 /nfs/dbraw/zinc/74/89/41/448748941.db2.gz WQONOPZGZZFQAQ-QUCCMNQESA-N 3 1 330.520 1.877 20 0 EDADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000519169768 448749845 /nfs/dbraw/zinc/74/98/45/448749845.db2.gz BNJVUXNNBMCXLI-IEBWSBKVSA-N 2 1 344.503 1.576 20 0 EDADMP C[N@@H+](CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CCCCC1 ZINC000567773737 448757340 /nfs/dbraw/zinc/75/73/40/448757340.db2.gz KCDAFHHTLCWWQT-CQSZACIVSA-N 2 1 334.468 1.024 20 0 EDADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000567779370 448760167 /nfs/dbraw/zinc/76/01/67/448760167.db2.gz MWNDGXQRKVKDEJ-QAPCUYQASA-N 2 1 330.476 1.048 20 0 EDADMP [NH3+]C1CCC(OCC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000579350448 448773798 /nfs/dbraw/zinc/77/37/98/448773798.db2.gz MSBROMPENCVFIH-GQGLESIBSA-N 2 1 339.480 1.033 20 0 EDADMP C[C@@H](CCNC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCCC1 ZINC000574195367 448814308 /nfs/dbraw/zinc/81/43/08/448814308.db2.gz UZJXUWCBJBWPRX-BSDSXHPESA-N 2 1 327.513 1.311 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000519693831 448820593 /nfs/dbraw/zinc/82/05/93/448820593.db2.gz RHVHNZZDZKFPIY-HNNXBMFYSA-N 2 1 334.420 1.011 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000529320870 448821945 /nfs/dbraw/zinc/82/19/45/448821945.db2.gz GUNUBKBITSSSDQ-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(F)cc2)CC12CCOCC2 ZINC000579593721 448830736 /nfs/dbraw/zinc/83/07/36/448830736.db2.gz NZLIUJHJUAYMRU-MRXNPFEDSA-N 2 1 349.450 1.172 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(F)cc2)CC12CCOCC2 ZINC000579593721 448830741 /nfs/dbraw/zinc/83/07/41/448830741.db2.gz NZLIUJHJUAYMRU-MRXNPFEDSA-N 2 1 349.450 1.172 20 0 EDADMP CCN1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000568199382 448836948 /nfs/dbraw/zinc/83/69/48/448836948.db2.gz VVMXNGCBTKLZBU-SFHVURJKSA-N 2 1 336.524 1.393 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000568199382 448836952 /nfs/dbraw/zinc/83/69/52/448836952.db2.gz VVMXNGCBTKLZBU-SFHVURJKSA-N 3 1 336.524 1.393 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000568199382 448836955 /nfs/dbraw/zinc/83/69/55/448836955.db2.gz VVMXNGCBTKLZBU-SFHVURJKSA-N 3 1 336.524 1.393 20 0 EDADMP COC(=O)c1cc2cc(C[N@@H+](C)CCN3CC[NH2+]CC3)ccc2o1 ZINC000592472279 448851756 /nfs/dbraw/zinc/85/17/56/448851756.db2.gz SKCVHZDVYHAHCH-UHFFFAOYSA-N 2 1 331.416 1.556 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ncc(C)o3)CC2)CC1 ZINC000579728594 448866066 /nfs/dbraw/zinc/86/60/66/448866066.db2.gz FULWVNVTLYOQRS-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP CC1(C)CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000568460559 448873632 /nfs/dbraw/zinc/87/36/32/448873632.db2.gz NNCJQCRHUVGUSJ-UHFFFAOYSA-N 2 1 345.487 1.867 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000568460559 448873634 /nfs/dbraw/zinc/87/36/34/448873634.db2.gz NNCJQCRHUVGUSJ-UHFFFAOYSA-N 2 1 345.487 1.867 20 0 EDADMP CC[C@@H]1C[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)CC[C@@H]1[NH3+] ZINC000592489684 448860437 /nfs/dbraw/zinc/86/04/37/448860437.db2.gz ZQNDKOKUDFLDTE-CVEARBPZSA-N 2 1 332.448 1.462 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000520372328 448888955 /nfs/dbraw/zinc/88/89/55/448888955.db2.gz KKFNPKFWUOMVBR-OALUTQOASA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CC[C@H](c3ccccc3F)C2)C1=O ZINC000574806171 448959086 /nfs/dbraw/zinc/95/90/86/448959086.db2.gz WSYRCPSIGYGBTF-WMLDXEAASA-N 2 1 347.434 1.694 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CC[C@H](c3ccccc3F)C2)C1=O ZINC000574806171 448959090 /nfs/dbraw/zinc/95/90/90/448959090.db2.gz WSYRCPSIGYGBTF-WMLDXEAASA-N 2 1 347.434 1.694 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)CCN(C)c2cc[nH+]cc2)CCCO1 ZINC000569301460 448995255 /nfs/dbraw/zinc/99/52/55/448995255.db2.gz GOKDGNSJUDEXBW-INIZCTEOSA-N 2 1 334.464 1.525 20 0 EDADMP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC[N@H+](C4CCCC4)CC3)c21 ZINC000592958319 449081351 /nfs/dbraw/zinc/08/13/51/449081351.db2.gz CDKJUPJOLOGOKB-OAHLLOKOSA-N 2 1 345.491 1.810 20 0 EDADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCN4CC[NH2+]CC4)C3)C2)cc1 ZINC000569609295 449057495 /nfs/dbraw/zinc/05/74/95/449057495.db2.gz XCYKSQXYAVDZDD-OAQYLSRUSA-N 2 1 342.531 1.880 20 0 EDADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCN4CC[NH2+]CC4)C3)C2)cc1 ZINC000569609295 449057501 /nfs/dbraw/zinc/05/75/01/449057501.db2.gz XCYKSQXYAVDZDD-OAQYLSRUSA-N 2 1 342.531 1.880 20 0 EDADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCN4CC[NH2+]CC4)C3)C2)cc1 ZINC000569609295 449057507 /nfs/dbraw/zinc/05/75/07/449057507.db2.gz XCYKSQXYAVDZDD-OAQYLSRUSA-N 2 1 342.531 1.880 20 0 EDADMP c1ccc(C[N@H+]2CCC[C@]3(CCN(CCN4CC[NH2+]CC4)C3)C2)cc1 ZINC000569609295 449057513 /nfs/dbraw/zinc/05/75/13/449057513.db2.gz XCYKSQXYAVDZDD-OAQYLSRUSA-N 2 1 342.531 1.880 20 0 EDADMP c1ccc(C[N@@H+]2CCC[C@]3(CCN(CCN4CC[NH2+]CC4)C3)C2)cc1 ZINC000569609295 449057521 /nfs/dbraw/zinc/05/75/21/449057521.db2.gz XCYKSQXYAVDZDD-OAQYLSRUSA-N 2 1 342.531 1.880 20 0 EDADMP c1ccc(CN2CCC[C@]3(CC[N@@H+](CCN4CC[NH2+]CC4)C3)C2)cc1 ZINC000569609295 449057524 /nfs/dbraw/zinc/05/75/24/449057524.db2.gz XCYKSQXYAVDZDD-OAQYLSRUSA-N 2 1 342.531 1.880 20 0 EDADMP c1ccc(CN2CCC[C@]3(CC[N@H+](CCN4CC[NH2+]CC4)C3)C2)cc1 ZINC000569609295 449057530 /nfs/dbraw/zinc/05/75/30/449057530.db2.gz XCYKSQXYAVDZDD-OAQYLSRUSA-N 2 1 342.531 1.880 20 0 EDADMP COCCN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000522190866 449061193 /nfs/dbraw/zinc/06/11/93/449061193.db2.gz RVDAZHSMNUVTQF-SFHVURJKSA-N 2 1 346.475 1.084 20 0 EDADMP [NH3+][C@@H](CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)c1ccccc1 ZINC000575236188 449066519 /nfs/dbraw/zinc/06/65/19/449066519.db2.gz KPFRLPUTMUYQRY-IRXDYDNUSA-N 2 1 325.416 1.438 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)[C@@H](C)C1 ZINC000592966206 449089435 /nfs/dbraw/zinc/08/94/35/449089435.db2.gz WFHPARFDYPBGMZ-LZWOXQAQSA-N 2 1 333.480 1.522 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000530274627 449100765 /nfs/dbraw/zinc/10/07/65/449100765.db2.gz QRVTZZZNNWCTLB-QGZVFWFLSA-N 2 1 337.508 1.964 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)NC(=O)NC1CCCC1 ZINC000595901467 449241742 /nfs/dbraw/zinc/24/17/42/449241742.db2.gz WNAPLBYSOWWPOA-OAHLLOKOSA-N 2 1 336.480 1.466 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)[C@@H](C)C1 ZINC000595934042 449264706 /nfs/dbraw/zinc/26/47/06/449264706.db2.gz VBGGHGHHEATWBX-GJZGRUSLSA-N 2 1 327.469 1.093 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)[C@@H](C)C1 ZINC000595934042 449264712 /nfs/dbraw/zinc/26/47/12/449264712.db2.gz VBGGHGHHEATWBX-GJZGRUSLSA-N 2 1 327.469 1.093 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000590819036 449307875 /nfs/dbraw/zinc/30/78/75/449307875.db2.gz UYGGILLXODPTOC-ZWKOTPCHSA-N 2 1 328.497 1.595 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC000602120159 449361047 /nfs/dbraw/zinc/36/10/47/449361047.db2.gz MRHNLKGKQKMWFL-KRWDZBQOSA-N 2 1 338.540 1.591 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)CCCc3ccccn3)C2)CC1 ZINC000602330236 449519165 /nfs/dbraw/zinc/51/91/65/449519165.db2.gz IKZOGFXPXHKGTA-KRWDZBQOSA-N 2 1 330.476 1.689 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)CCCc3ccccn3)C2)CC1 ZINC000602330236 449519174 /nfs/dbraw/zinc/51/91/74/449519174.db2.gz IKZOGFXPXHKGTA-KRWDZBQOSA-N 2 1 330.476 1.689 20 0 EDADMP COC(=O)CCN1CC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1=O ZINC000594659080 449612008 /nfs/dbraw/zinc/61/20/08/449612008.db2.gz AOGDMZPDUNTZGD-UONOGXRCSA-N 2 1 327.469 1.106 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000600951155 449612560 /nfs/dbraw/zinc/61/25/60/449612560.db2.gz SCNVRAMRPLZLNO-OAHLLOKOSA-N 2 1 325.522 1.949 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000600951155 449612566 /nfs/dbraw/zinc/61/25/66/449612566.db2.gz SCNVRAMRPLZLNO-OAHLLOKOSA-N 2 1 325.522 1.949 20 0 EDADMP C[NH+]1CCN(CC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000600975216 449627518 /nfs/dbraw/zinc/62/75/18/449627518.db2.gz MOTDITWBXRZTIS-LJQANCHMSA-N 2 1 344.503 1.262 20 0 EDADMP C[NH+]1CCN(CC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000600975216 449627526 /nfs/dbraw/zinc/62/75/26/449627526.db2.gz MOTDITWBXRZTIS-LJQANCHMSA-N 2 1 344.503 1.262 20 0 EDADMP COc1cncc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000602487967 449628103 /nfs/dbraw/zinc/62/81/03/449628103.db2.gz XSILSWUHDWNFHN-GOSISDBHSA-N 2 1 332.492 1.999 20 0 EDADMP Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504710 449649280 /nfs/dbraw/zinc/64/92/80/449649280.db2.gz GVPVLGLISWCGNY-KBPBESRZSA-N 2 1 337.512 1.529 20 0 EDADMP Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504710 449649286 /nfs/dbraw/zinc/64/92/86/449649286.db2.gz GVPVLGLISWCGNY-KBPBESRZSA-N 2 1 337.512 1.529 20 0 EDADMP CC(=O)Nc1ccc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000617507009 449657079 /nfs/dbraw/zinc/65/70/79/449657079.db2.gz FEYXAQRLWAFKCW-HNNXBMFYSA-N 2 1 348.491 1.955 20 0 EDADMP CC(=O)Nc1ccc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617507009 449657083 /nfs/dbraw/zinc/65/70/83/449657083.db2.gz FEYXAQRLWAFKCW-HNNXBMFYSA-N 2 1 348.491 1.955 20 0 EDADMP CC(=O)Nc1ccccc1CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507392 449658827 /nfs/dbraw/zinc/65/88/27/449658827.db2.gz VAHBGPOGVDFJHZ-HNNXBMFYSA-N 2 1 348.491 1.576 20 0 EDADMP CC(=O)Nc1ccccc1CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507392 449658829 /nfs/dbraw/zinc/65/88/29/449658829.db2.gz VAHBGPOGVDFJHZ-HNNXBMFYSA-N 2 1 348.491 1.576 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(-n2cccn2)cc1 ZINC000617503672 449645759 /nfs/dbraw/zinc/64/57/59/449645759.db2.gz UCNOLOXRKIKGAZ-INIZCTEOSA-N 2 1 343.475 1.874 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(-n2cccn2)cc1 ZINC000617503672 449645768 /nfs/dbraw/zinc/64/57/68/449645768.db2.gz UCNOLOXRKIKGAZ-INIZCTEOSA-N 2 1 343.475 1.874 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CNC(=O)C1CCCCC1 ZINC000617503785 449646785 /nfs/dbraw/zinc/64/67/85/449646785.db2.gz ZEUGPGYFOYFUMZ-HNNXBMFYSA-N 2 1 340.512 1.071 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CNC(=O)C1CCCCC1 ZINC000617503785 449646791 /nfs/dbraw/zinc/64/67/91/449646791.db2.gz ZEUGPGYFOYFUMZ-HNNXBMFYSA-N 2 1 340.512 1.071 20 0 EDADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n(C)c1C ZINC000594993859 449834270 /nfs/dbraw/zinc/83/42/70/449834270.db2.gz SAQNYNKTMFHRHN-OAHLLOKOSA-N 2 1 335.448 1.463 20 0 EDADMP COc1ccc(C[NH+](C)C)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000601350675 449863560 /nfs/dbraw/zinc/86/35/60/449863560.db2.gz ZWFNMWBBJVZKAD-OAHLLOKOSA-N 2 1 349.479 1.124 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000602889901 449897736 /nfs/dbraw/zinc/89/77/36/449897736.db2.gz FYAQOXZMDOZNBZ-SFHVURJKSA-N 2 1 348.447 1.113 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000602889901 449897743 /nfs/dbraw/zinc/89/77/43/449897743.db2.gz FYAQOXZMDOZNBZ-SFHVURJKSA-N 2 1 348.447 1.113 20 0 EDADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000615083306 449942585 /nfs/dbraw/zinc/94/25/85/449942585.db2.gz FFKFLSMBIRCOBC-MRXNPFEDSA-N 2 1 349.519 1.963 20 0 EDADMP CC[C@@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000612868225 449917674 /nfs/dbraw/zinc/91/76/74/449917674.db2.gz PUFOUQPWOLIPLB-PKOBYXMFSA-N 2 1 330.476 1.875 20 0 EDADMP C[C@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000612868585 449918979 /nfs/dbraw/zinc/91/89/79/449918979.db2.gz YXPXQRIWLXKAGQ-VQIMIIECSA-N 2 1 345.491 1.248 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C)CC2 ZINC000615266016 450029783 /nfs/dbraw/zinc/02/97/83/450029783.db2.gz KOWWXNUDULZXNY-OIISXLGYSA-N 2 1 332.448 1.076 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C)CC2 ZINC000615266016 450029786 /nfs/dbraw/zinc/02/97/86/450029786.db2.gz KOWWXNUDULZXNY-OIISXLGYSA-N 2 1 332.448 1.076 20 0 EDADMP COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000609625415 450074182 /nfs/dbraw/zinc/07/41/82/450074182.db2.gz JTCVGFBRSGDAAK-INIZCTEOSA-N 2 1 339.480 1.393 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC(C(=O)OC)C[C@H]2C)CC1 ZINC000599689250 450153989 /nfs/dbraw/zinc/15/39/89/450153989.db2.gz HZTFPRBLVHIESK-ZIAGYGMSSA-N 2 1 339.480 1.249 20 0 EDADMP Cc1ccc(NC(=O)C2([NH+](C)C)CC2)cc1NC(=O)CC[NH+](C)C ZINC000613561804 450227129 /nfs/dbraw/zinc/22/71/29/450227129.db2.gz MBDZCTWQHYOLKH-UHFFFAOYSA-N 2 1 332.448 1.918 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000618556000 450242632 /nfs/dbraw/zinc/24/26/32/450242632.db2.gz RHWZAUXVBJELRE-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000618556000 450242636 /nfs/dbraw/zinc/24/26/36/450242636.db2.gz RHWZAUXVBJELRE-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000618556000 450242641 /nfs/dbraw/zinc/24/26/41/450242641.db2.gz RHWZAUXVBJELRE-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+](C)C1)[N@H+]1CCc2sccc2C1 ZINC000618556000 450242646 /nfs/dbraw/zinc/24/26/46/450242646.db2.gz RHWZAUXVBJELRE-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H](C)[NH+](C)C ZINC000610550927 450259370 /nfs/dbraw/zinc/25/93/70/450259370.db2.gz AZMYFEJDRIIJEG-LSDHHAIUSA-N 2 1 327.469 1.203 20 0 EDADMP COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000603435823 450301309 /nfs/dbraw/zinc/30/13/09/450301309.db2.gz ZOMGSYAXULQMHQ-SDDRHHMPSA-N 2 1 337.445 1.355 20 0 EDADMP Cc1cc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n2ncnc2n1 ZINC000603820437 450353991 /nfs/dbraw/zinc/35/39/91/450353991.db2.gz VSXSCQHQBCIHNL-OAHLLOKOSA-N 2 1 329.452 1.037 20 0 EDADMP Cc1cc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n2ncnc2n1 ZINC000603820437 450353996 /nfs/dbraw/zinc/35/39/96/450353996.db2.gz VSXSCQHQBCIHNL-OAHLLOKOSA-N 2 1 329.452 1.037 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623227706 450458535 /nfs/dbraw/zinc/45/85/35/450458535.db2.gz ZNZDIUZCFFQZMM-IJEWVQPXSA-N 2 1 335.496 1.464 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623227706 450458539 /nfs/dbraw/zinc/45/85/39/450458539.db2.gz ZNZDIUZCFFQZMM-IJEWVQPXSA-N 2 1 335.496 1.464 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000623631726 450555147 /nfs/dbraw/zinc/55/51/47/450555147.db2.gz RTNAWOUWDRGDOC-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623631726 450555149 /nfs/dbraw/zinc/55/51/49/450555149.db2.gz RTNAWOUWDRGDOC-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623631726 450555151 /nfs/dbraw/zinc/55/51/51/450555151.db2.gz RTNAWOUWDRGDOC-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623632421 450555556 /nfs/dbraw/zinc/55/55/56/450555556.db2.gz ZWQOXGAFMPQBTB-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP CC[N@@H+](CCNS(=O)(=O)CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062201 450565864 /nfs/dbraw/zinc/56/58/64/450565864.db2.gz LERLIUPZHSANOZ-UHFFFAOYSA-N 2 1 327.494 1.509 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CCSC1 ZINC000623708267 450569321 /nfs/dbraw/zinc/56/93/21/450569321.db2.gz BIEATFGDUQCPBO-NVXWUHKLSA-N 2 1 340.537 1.740 20 0 EDADMP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000635057374 450612315 /nfs/dbraw/zinc/61/23/15/450612315.db2.gz UWPYZGARTCZAEM-AZUAARDMSA-N 2 1 343.471 1.299 20 0 EDADMP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000635057374 450612316 /nfs/dbraw/zinc/61/23/16/450612316.db2.gz UWPYZGARTCZAEM-AZUAARDMSA-N 2 1 343.471 1.299 20 0 EDADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CCOCC1 ZINC000629389266 450642364 /nfs/dbraw/zinc/64/23/64/450642364.db2.gz XHRXHFFWBYUDOP-UHFFFAOYSA-N 2 1 330.388 1.403 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000631579159 450664544 /nfs/dbraw/zinc/66/45/44/450664544.db2.gz DSNVRRCPFVUWQM-SZMVWBNQSA-N 2 1 335.492 1.476 20 0 EDADMP O=C(CC[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1)N1CC[NH2+]CC1 ZINC000629551101 450732035 /nfs/dbraw/zinc/73/20/35/450732035.db2.gz SJQJPUPGDYBSKS-OAHLLOKOSA-N 2 1 337.414 1.966 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000621487028 450741718 /nfs/dbraw/zinc/74/17/18/450741718.db2.gz NLAXTZUEWJSCSJ-CABCVRRESA-N 2 1 338.521 1.526 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000629570676 450742832 /nfs/dbraw/zinc/74/28/32/450742832.db2.gz GBLUQNRZWRWMPB-ZDUSSCGKSA-N 2 1 343.418 1.652 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000629570676 450742837 /nfs/dbraw/zinc/74/28/37/450742837.db2.gz GBLUQNRZWRWMPB-ZDUSSCGKSA-N 2 1 343.418 1.652 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)CCC[NH+](C)C ZINC000631744628 450746340 /nfs/dbraw/zinc/74/63/40/450746340.db2.gz WEVBSTWGDNGGGB-UHFFFAOYSA-N 2 1 341.521 1.898 20 0 EDADMP O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000631744185 450746535 /nfs/dbraw/zinc/74/65/35/450746535.db2.gz OQJJQJVEEWZDLO-IAGOWNOFSA-N 2 1 341.521 1.596 20 0 EDADMP CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631786521 450775464 /nfs/dbraw/zinc/77/54/64/450775464.db2.gz XVWIAXGLPDFFBY-UHFFFAOYSA-N 2 1 331.526 1.463 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621656726 450818172 /nfs/dbraw/zinc/81/81/72/450818172.db2.gz VZYZDQQVOYYPCU-NVXWUHKLSA-N 2 1 331.460 1.948 20 0 EDADMP CCC[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000621668049 450823758 /nfs/dbraw/zinc/82/37/58/450823758.db2.gz SIGOLEBTLNYFBP-DLBZAZTESA-N 2 1 325.497 1.726 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC000635267450 450796303 /nfs/dbraw/zinc/79/63/03/450796303.db2.gz PILQUEMPZAKAQB-UHFFFAOYSA-N 2 1 348.491 1.894 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000631894908 450853915 /nfs/dbraw/zinc/85/39/15/450853915.db2.gz HGTUSICHUZTSCW-HNNXBMFYSA-N 2 1 329.510 1.361 20 0 EDADMP CC(=O)N1CC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000621750951 450857954 /nfs/dbraw/zinc/85/79/54/450857954.db2.gz ZMKOCXAXILSWIP-GOSISDBHSA-N 2 1 331.460 1.921 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)CC2)CC1 ZINC000627655635 450871355 /nfs/dbraw/zinc/87/13/55/450871355.db2.gz ZMLKQDHGPYPVMJ-BWTSREIZSA-N 3 1 348.535 1.201 20 0 EDADMP O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000635408915 450916041 /nfs/dbraw/zinc/91/60/41/450916041.db2.gz QMXBANJZRSLWNT-RTBURBONSA-N 2 1 349.519 1.964 20 0 EDADMP O=C([C@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000635408915 450916046 /nfs/dbraw/zinc/91/60/46/450916046.db2.gz QMXBANJZRSLWNT-RTBURBONSA-N 2 1 349.519 1.964 20 0 EDADMP O=C([C@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000635408915 450916050 /nfs/dbraw/zinc/91/60/50/450916050.db2.gz QMXBANJZRSLWNT-RTBURBONSA-N 2 1 349.519 1.964 20 0 EDADMP CN1CCCC[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1=O ZINC000635412067 450918614 /nfs/dbraw/zinc/91/86/14/450918614.db2.gz YSDAKAGTKRHDNP-AWEZNQCLSA-N 2 1 345.447 1.030 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1nnc(C)o1 ZINC000635463589 450963502 /nfs/dbraw/zinc/96/35/02/450963502.db2.gz AHVPBTFEAYTDFE-HNNXBMFYSA-N 2 1 337.468 1.185 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC000632018457 450971268 /nfs/dbraw/zinc/97/12/68/450971268.db2.gz CERXYBXESWWYNY-JKSUJKDBSA-N 2 1 331.526 1.607 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC000635472141 450971326 /nfs/dbraw/zinc/97/13/26/450971326.db2.gz ABKKDQNRUBPYHJ-HNNXBMFYSA-N 2 1 340.512 1.023 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000635472141 450971328 /nfs/dbraw/zinc/97/13/28/450971328.db2.gz ABKKDQNRUBPYHJ-HNNXBMFYSA-N 2 1 340.512 1.023 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635472141 450971333 /nfs/dbraw/zinc/97/13/33/450971333.db2.gz ABKKDQNRUBPYHJ-HNNXBMFYSA-N 2 1 340.512 1.023 20 0 EDADMP CC(C)C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)n1ccnc1 ZINC000635489897 450986482 /nfs/dbraw/zinc/98/64/82/450986482.db2.gz ZKAVJUKHKQGQBY-HOTGVXAUSA-N 2 1 349.479 1.174 20 0 EDADMP CC[C@H](CNC(=O)NCCOCC[NH2+]C)[N@H+]1CCc2ccccc2C1 ZINC000626934630 451017576 /nfs/dbraw/zinc/01/75/76/451017576.db2.gz KLLDCSMEKIZLGJ-GOSISDBHSA-N 2 1 348.491 1.359 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000632127883 451055943 /nfs/dbraw/zinc/05/59/43/451055943.db2.gz KXPYDLJWBJAOPJ-HOCLYGCPSA-N 2 1 329.510 1.217 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)CC2(N(C)C)CC2)C1 ZINC000632127038 451056132 /nfs/dbraw/zinc/05/61/32/451056132.db2.gz KKDABZRXKQAZDT-OAHLLOKOSA-N 2 1 331.526 1.368 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000632127038 451056136 /nfs/dbraw/zinc/05/61/36/451056136.db2.gz KKDABZRXKQAZDT-OAHLLOKOSA-N 2 1 331.526 1.368 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000632127038 451056139 /nfs/dbraw/zinc/05/61/39/451056139.db2.gz KKDABZRXKQAZDT-OAHLLOKOSA-N 2 1 331.526 1.368 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627022995 451086996 /nfs/dbraw/zinc/08/69/96/451086996.db2.gz GYOURDLPTVGNMS-FGTMMUONSA-N 2 1 330.476 1.948 20 0 EDADMP [NH3+]CC1(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCOCC1 ZINC000627027658 451088910 /nfs/dbraw/zinc/08/89/10/451088910.db2.gz WONXDLMKPZTLCS-INIZCTEOSA-N 2 1 338.496 1.591 20 0 EDADMP [NH3+]CC1(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000626978434 451047729 /nfs/dbraw/zinc/04/77/29/451047729.db2.gz CUWPFWSFEQHZIX-QGZVFWFLSA-N 2 1 346.475 1.458 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)[C@@H](C)C1 ZINC000626981182 451049819 /nfs/dbraw/zinc/04/98/19/451049819.db2.gz YNYOHLBEOHNIMU-HZMVEIRTSA-N 2 1 340.512 1.563 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000635552528 451050002 /nfs/dbraw/zinc/05/00/02/451050002.db2.gz TVEQBLAQMOTNRX-GOSISDBHSA-N 2 1 348.535 1.489 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000635552528 451050004 /nfs/dbraw/zinc/05/00/04/451050004.db2.gz TVEQBLAQMOTNRX-GOSISDBHSA-N 2 1 348.535 1.489 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632283411 451170513 /nfs/dbraw/zinc/17/05/13/451170513.db2.gz OJGDDBLSWDGMCH-UHFFFAOYSA-N 2 1 341.477 1.515 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCOCCC[NH3+] ZINC000627214913 451191307 /nfs/dbraw/zinc/19/13/07/451191307.db2.gz APLABQSUZAYBBX-DLBZAZTESA-N 2 1 348.491 1.656 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCOCCC[NH3+] ZINC000627214915 451191464 /nfs/dbraw/zinc/19/14/64/451191464.db2.gz APLABQSUZAYBBX-IRXDYDNUSA-N 2 1 348.491 1.656 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cnn(C3CC[NH+](C)CC3)c1)C2 ZINC000634096843 451192561 /nfs/dbraw/zinc/19/25/61/451192561.db2.gz YNGFEFKOPILSCC-AWEZNQCLSA-N 2 1 342.447 1.856 20 0 EDADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000635719423 451197497 /nfs/dbraw/zinc/19/74/97/451197497.db2.gz LKGSMDMQSXVHHG-SJLPKXTDSA-N 2 1 349.519 1.820 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635753710 451220286 /nfs/dbraw/zinc/22/02/86/451220286.db2.gz RQPZGAVRFBTACI-UHFFFAOYSA-N 2 1 339.524 1.925 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638085543 451249560 /nfs/dbraw/zinc/24/95/60/451249560.db2.gz MKFZCDZTGLTBKV-LSDHHAIUSA-N 2 1 331.464 1.662 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638086930 451251428 /nfs/dbraw/zinc/25/14/28/451251428.db2.gz XPFUVWBRZJHJML-RBUKOAKNSA-N 2 1 346.519 1.682 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638086930 451251432 /nfs/dbraw/zinc/25/14/32/451251432.db2.gz XPFUVWBRZJHJML-RBUKOAKNSA-N 2 1 346.519 1.682 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638086930 451251437 /nfs/dbraw/zinc/25/14/37/451251437.db2.gz XPFUVWBRZJHJML-RBUKOAKNSA-N 2 1 346.519 1.682 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638086930 451251439 /nfs/dbraw/zinc/25/14/39/451251439.db2.gz XPFUVWBRZJHJML-RBUKOAKNSA-N 2 1 346.519 1.682 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638086930 451251445 /nfs/dbraw/zinc/25/14/45/451251445.db2.gz XPFUVWBRZJHJML-RBUKOAKNSA-N 2 1 346.519 1.682 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634260798 451254237 /nfs/dbraw/zinc/25/42/37/451254237.db2.gz WDURHUVFEMPENL-IAGOWNOFSA-N 3 1 339.528 1.186 20 0 EDADMP C[C@H](NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000638091647 451257545 /nfs/dbraw/zinc/25/75/45/451257545.db2.gz PGABUHWJUNSVPG-YJBOKZPZSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000638095963 451261673 /nfs/dbraw/zinc/26/16/73/451261673.db2.gz DNTBEPMCYPXAQW-UHFFFAOYSA-N 2 1 344.410 1.210 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(-n3ccnc3)ccc2O)[C@H](C)C1 ZINC000635818697 451266211 /nfs/dbraw/zinc/26/62/11/451266211.db2.gz KKOQFMNDTAYVIS-KGLIPLIRSA-N 2 1 344.415 1.105 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000640337469 451269051 /nfs/dbraw/zinc/26/90/51/451269051.db2.gz POFHDHNINQFBPL-UHFFFAOYSA-N 2 1 348.491 1.448 20 0 EDADMP Cc1nc(C(C)C)oc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000630595551 451269339 /nfs/dbraw/zinc/26/93/39/451269339.db2.gz POWFLQQZUJFRMQ-UHFFFAOYSA-N 2 1 332.452 1.712 20 0 EDADMP CC(C)C[N@@H+](CCN(C)C)CCn1cc(-c2cccc(C[NH3+])c2)nn1 ZINC000630609983 451273848 /nfs/dbraw/zinc/27/38/48/451273848.db2.gz GVKUMSJZKPCKTP-UHFFFAOYSA-N 2 1 344.507 1.923 20 0 EDADMP CC(C)CN(CCn1cc(-c2cccc(C[NH3+])c2)nn1)CC[NH+](C)C ZINC000630609983 451273854 /nfs/dbraw/zinc/27/38/54/451273854.db2.gz GVKUMSJZKPCKTP-UHFFFAOYSA-N 2 1 344.507 1.923 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C3=CC[C@@H]([NH3+])C3)CC2)oc1C ZINC000638111959 451279847 /nfs/dbraw/zinc/27/98/47/451279847.db2.gz WXYASGHYEHRALY-MRXNPFEDSA-N 2 1 332.448 1.667 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000638112843 451280651 /nfs/dbraw/zinc/28/06/51/451280651.db2.gz VUCYVWLEDSVEPC-INIZCTEOSA-N 2 1 329.488 1.969 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638112898 451281363 /nfs/dbraw/zinc/28/13/63/451281363.db2.gz WPNPJGPIKCDCLP-CMKODMSKSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(S(N)(=O)=O)cc2F)[C@@H](C)C1 ZINC000638114445 451283477 /nfs/dbraw/zinc/28/34/77/451283477.db2.gz JMEAHYFEXPNFPM-BLLLJJGKSA-N 2 1 343.468 1.635 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638120715 451290689 /nfs/dbraw/zinc/29/06/89/451290689.db2.gz BYYLLLMWCGLAIF-UHFFFAOYSA-N 2 1 326.444 1.976 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000638125573 451295982 /nfs/dbraw/zinc/29/59/82/451295982.db2.gz FNXJJBWJTXEUPQ-AOIWGVFYSA-N 2 1 331.460 1.486 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638127219 451296683 /nfs/dbraw/zinc/29/66/83/451296683.db2.gz IJGPZGREGSAZBH-NSHDSACASA-N 2 1 344.410 1.212 20 0 EDADMP CC[NH2+][C@H](C)C(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638132478 451305698 /nfs/dbraw/zinc/30/56/98/451305698.db2.gz DRQKCDDXRLJCDE-NJAFHUGGSA-N 2 1 333.476 1.780 20 0 EDADMP CC[NH2+][C@H](C)C(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638132478 451305703 /nfs/dbraw/zinc/30/57/03/451305703.db2.gz DRQKCDDXRLJCDE-NJAFHUGGSA-N 2 1 333.476 1.780 20 0 EDADMP CC[NH2+][C@H](C)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000638137377 451311606 /nfs/dbraw/zinc/31/16/06/451311606.db2.gz JOQARTONMOLWGU-AEFFLSMTSA-N 2 1 332.492 1.479 20 0 EDADMP CC[NH2+][C@H](C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000638137377 451311612 /nfs/dbraw/zinc/31/16/12/451311612.db2.gz JOQARTONMOLWGU-AEFFLSMTSA-N 2 1 332.492 1.479 20 0 EDADMP CC[NH2+][C@H](C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000638137377 451311619 /nfs/dbraw/zinc/31/16/19/451311619.db2.gz JOQARTONMOLWGU-AEFFLSMTSA-N 2 1 332.492 1.479 20 0 EDADMP C[C@H]1[NH2+]CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000638203331 451353760 /nfs/dbraw/zinc/35/37/60/451353760.db2.gz FATKNDRBHIVJIC-IAGOWNOFSA-N 3 1 344.503 1.579 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccn(C(F)F)c1=O ZINC000638177228 451339242 /nfs/dbraw/zinc/33/92/42/451339242.db2.gz BMSMQDYUKXEWHD-RBSFLKMASA-N 2 1 341.402 1.927 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccn(C(F)F)c1=O ZINC000638177228 451339246 /nfs/dbraw/zinc/33/92/46/451339246.db2.gz BMSMQDYUKXEWHD-RBSFLKMASA-N 2 1 341.402 1.927 20 0 EDADMP Cc1oc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1CO ZINC000630811001 451415620 /nfs/dbraw/zinc/41/56/20/451415620.db2.gz RIXPISWMWYJZKU-UHFFFAOYSA-N 2 1 330.388 1.479 20 0 EDADMP C[C@H](NC(=O)[C@]1(C[NH3+])CCCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638310005 451424538 /nfs/dbraw/zinc/42/45/38/451424538.db2.gz UYOPSNKNEVENGX-QRFRQXIXSA-N 2 1 345.487 1.769 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC1(O)CCOCC1 ZINC000634637289 451429263 /nfs/dbraw/zinc/42/92/63/451429263.db2.gz RXIOMDRYMHPECP-IBGZPJMESA-N 2 1 348.487 1.533 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccnc2-n2cccn2)CC1 ZINC000638352418 451452545 /nfs/dbraw/zinc/45/25/45/451452545.db2.gz LSBKVXDREOOAMS-UHFFFAOYSA-N 2 1 329.448 1.592 20 0 EDADMP [NH3+][C@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000638358930 451458219 /nfs/dbraw/zinc/45/82/19/451458219.db2.gz QSGZWTKWLLNKPP-IAGOWNOFSA-N 2 1 332.448 1.193 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000638375313 451472066 /nfs/dbraw/zinc/47/20/66/451472066.db2.gz XFQHVSXTKPLSHI-LJQANCHMSA-N 2 1 344.503 1.582 20 0 EDADMP CC1CC[NH+](CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634700162 451473500 /nfs/dbraw/zinc/47/35/00/451473500.db2.gz UVMUYUBGTIMQTR-HXUWFJFHSA-N 2 1 331.504 1.945 20 0 EDADMP O[C@]1(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH+](Cc2ccccc2)C1 ZINC000634699931 451474438 /nfs/dbraw/zinc/47/44/38/451474438.db2.gz QQYWZRFDBOJUOU-UFYCRDLUSA-N 2 1 329.488 1.840 20 0 EDADMP O[C@]1(CN[C@H]2CC[NH+]3CCCC[C@@H]23)CC[N@H+](Cc2ccccc2)C1 ZINC000634699931 451474444 /nfs/dbraw/zinc/47/44/44/451474444.db2.gz QQYWZRFDBOJUOU-UFYCRDLUSA-N 2 1 329.488 1.840 20 0 EDADMP O[C@]1(CN[C@H]2CC[NH+]3CCCC[C@@H]23)CC[N@@H+](Cc2ccccc2)C1 ZINC000634699931 451474450 /nfs/dbraw/zinc/47/44/50/451474450.db2.gz QQYWZRFDBOJUOU-UFYCRDLUSA-N 2 1 329.488 1.840 20 0 EDADMP C[C@H]([C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000634703030 451479031 /nfs/dbraw/zinc/47/90/31/451479031.db2.gz ONMWMSWAVCDIDR-NSHGMRRFSA-N 2 1 347.503 1.322 20 0 EDADMP C[C@H]([C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000634703030 451479035 /nfs/dbraw/zinc/47/90/35/451479035.db2.gz ONMWMSWAVCDIDR-NSHGMRRFSA-N 2 1 347.503 1.322 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@H](O)C[C@@](C)(O)C3CC3)CC2)nc(C)[nH+]1 ZINC000634708478 451486302 /nfs/dbraw/zinc/48/63/02/451486302.db2.gz VRJYCPPGFKQBDZ-IEBWSBKVSA-N 2 1 348.491 1.564 20 0 EDADMP O[C@@]1(C[NH2+][C@@H]2CCn3ccnc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634711952 451490792 /nfs/dbraw/zinc/49/07/92/451490792.db2.gz XCNXAHQPTCHOBI-IEBWSBKVSA-N 2 1 326.444 1.425 20 0 EDADMP O[C@@]1(C[NH2+][C@@H]2CCn3ccnc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711952 451490795 /nfs/dbraw/zinc/49/07/95/451490795.db2.gz XCNXAHQPTCHOBI-IEBWSBKVSA-N 2 1 326.444 1.425 20 0 EDADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000636782300 451503767 /nfs/dbraw/zinc/50/37/67/451503767.db2.gz RDSGTPZGMASCTO-DOTOQJQBSA-N 2 1 348.491 1.482 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000634745498 451521778 /nfs/dbraw/zinc/52/17/78/451521778.db2.gz JYOWSOTWGKWWQC-RTYCURFASA-N 2 1 337.508 1.578 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638512993 451552444 /nfs/dbraw/zinc/55/24/44/451552444.db2.gz KKNZLNBFPOCWDF-QZTJIDSGSA-N 2 1 331.460 1.344 20 0 EDADMP [NH3+]C1(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCOCC1 ZINC000638539347 451567015 /nfs/dbraw/zinc/56/70/15/451567015.db2.gz OCDAHQWRFQOYSA-MRXNPFEDSA-N 2 1 349.450 1.662 20 0 EDADMP CO[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCOCC1 ZINC000638558067 451576143 /nfs/dbraw/zinc/57/61/43/451576143.db2.gz VHYWBGCKPJGICU-KRWDZBQOSA-N 2 1 326.481 1.663 20 0 EDADMP C[C@@H](C(=O)N1CCC(C)CC1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640824397 451611042 /nfs/dbraw/zinc/61/10/42/451611042.db2.gz HHIKMYBSCFEADD-HNNXBMFYSA-N 2 1 348.495 1.063 20 0 EDADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cnc(N)nc3N)c2)CC1 ZINC000638567629 451579885 /nfs/dbraw/zinc/57/98/85/451579885.db2.gz PYPZQDFWWPZJOD-UHFFFAOYSA-N 2 1 340.475 1.823 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC[N@@H+]1C ZINC000631180464 451628632 /nfs/dbraw/zinc/62/86/32/451628632.db2.gz DEXAHYBDRSRJTQ-IXDOHACOSA-N 2 1 345.491 1.909 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC[N@H+]1C ZINC000631180464 451628637 /nfs/dbraw/zinc/62/86/37/451628637.db2.gz DEXAHYBDRSRJTQ-IXDOHACOSA-N 2 1 345.491 1.909 20 0 EDADMP O=C1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCN1 ZINC000634975424 451633552 /nfs/dbraw/zinc/63/35/52/451633552.db2.gz YFTAINPASPGUSR-ROUUACIJSA-N 2 1 331.460 1.402 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638788436 451692645 /nfs/dbraw/zinc/69/26/45/451692645.db2.gz JWMNBSGHNNZYRB-INIZCTEOSA-N 2 1 339.505 1.792 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638788436 451692649 /nfs/dbraw/zinc/69/26/49/451692649.db2.gz JWMNBSGHNNZYRB-INIZCTEOSA-N 2 1 339.505 1.792 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638833997 451705662 /nfs/dbraw/zinc/70/56/62/451705662.db2.gz BYNFPGFUVQECDP-BPQIPLTHSA-N 2 1 331.460 1.249 20 0 EDADMP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850370 451710584 /nfs/dbraw/zinc/71/05/84/451710584.db2.gz DUGPDXIBMREGST-RBUKOAKNSA-N 2 1 345.487 1.926 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852686 451711263 /nfs/dbraw/zinc/71/12/63/451711263.db2.gz ZSPFWXSQHGPSAJ-OTWHNJEPSA-N 2 1 345.487 1.911 20 0 EDADMP C[NH+](C)CCOCCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000637079515 451712539 /nfs/dbraw/zinc/71/25/39/451712539.db2.gz YXQMKFYUNPLBMA-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H]([NH3+])C[C@@H]3C)cc2F)CC1 ZINC000638933381 451739233 /nfs/dbraw/zinc/73/92/33/451739233.db2.gz BUCUNYUSWRKKGC-DZGCQCFKSA-N 2 1 334.439 1.529 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000639006333 451751805 /nfs/dbraw/zinc/75/18/05/451751805.db2.gz VXJLROZJPRUNRE-CVEARBPZSA-N 2 1 337.414 1.930 20 0 EDADMP COCc1cccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000641124434 451756267 /nfs/dbraw/zinc/75/62/67/451756267.db2.gz YEITTWRNJLTUJY-UHFFFAOYSA-N 2 1 329.448 1.438 20 0 EDADMP CN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000641215650 451784884 /nfs/dbraw/zinc/78/48/84/451784884.db2.gz CPWMXSZYGZRENI-INMHGKMJSA-N 2 1 337.512 1.066 20 0 EDADMP CN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000641215650 451784886 /nfs/dbraw/zinc/78/48/86/451784886.db2.gz CPWMXSZYGZRENI-INMHGKMJSA-N 2 1 337.512 1.066 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000637372625 451804145 /nfs/dbraw/zinc/80/41/45/451804145.db2.gz LRQREQYDKCHXGZ-INIZCTEOSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000637372625 451804150 /nfs/dbraw/zinc/80/41/50/451804150.db2.gz LRQREQYDKCHXGZ-INIZCTEOSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000637372625 451804154 /nfs/dbraw/zinc/80/41/54/451804154.db2.gz LRQREQYDKCHXGZ-INIZCTEOSA-N 2 1 326.485 1.007 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000653279949 451811431 /nfs/dbraw/zinc/81/14/31/451811431.db2.gz NAVTVASHMDZEHS-UKRRQHHQSA-N 2 1 335.448 1.522 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000653279949 451811434 /nfs/dbraw/zinc/81/14/34/451811434.db2.gz NAVTVASHMDZEHS-UKRRQHHQSA-N 2 1 335.448 1.522 20 0 EDADMP Cc1cc(NCCNC(=O)N(C)C[C@H]2CCC[N@H+]2C)nc(C(C)C)n1 ZINC000637413603 451842181 /nfs/dbraw/zinc/84/21/81/451842181.db2.gz VOODRBHTSCIBEV-OAHLLOKOSA-N 2 1 348.495 2.056 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@H](C)N1CCOCC1 ZINC000644547624 451855771 /nfs/dbraw/zinc/85/57/71/451855771.db2.gz AMJKICNXFIFSIJ-LNLFQRSKSA-N 2 1 335.492 1.178 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](C)N1CCOCC1 ZINC000644547624 451855774 /nfs/dbraw/zinc/85/57/74/451855774.db2.gz AMJKICNXFIFSIJ-LNLFQRSKSA-N 2 1 335.492 1.178 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCc1cn2ccccc2n1 ZINC000653356346 451869179 /nfs/dbraw/zinc/86/91/79/451869179.db2.gz NHMRZGQMKQVYIW-UHFFFAOYSA-N 2 1 345.447 1.045 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H](OCC[NH+]3CCCC3)C1)CC2 ZINC000651516192 451882501 /nfs/dbraw/zinc/88/25/01/451882501.db2.gz DWPAZQFJJMFFDB-AEFFLSMTSA-N 2 1 346.475 1.467 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)[C@@H](C)C[N@H+]1CCO ZINC000637471596 451889323 /nfs/dbraw/zinc/88/93/23/451889323.db2.gz WGDBARXINBKQLA-VYDXJSESSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)[C@@H](C)C[NH+]1CCO ZINC000637471596 451889325 /nfs/dbraw/zinc/88/93/25/451889325.db2.gz WGDBARXINBKQLA-VYDXJSESSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)[C@@H](C)C[NH+]1CCO ZINC000637471596 451889329 /nfs/dbraw/zinc/88/93/29/451889329.db2.gz WGDBARXINBKQLA-VYDXJSESSA-N 2 1 338.496 1.100 20 0 EDADMP CN(C(=O)[C@@H]1CCc2cncn2C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000649213591 451908561 /nfs/dbraw/zinc/90/85/61/451908561.db2.gz AFZQPIYBOMYGIO-CRAIPNDOSA-N 3 1 345.491 1.072 20 0 EDADMP CN(C(=O)[C@@H]1CCc2cncn2C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000649213591 451908563 /nfs/dbraw/zinc/90/85/63/451908563.db2.gz AFZQPIYBOMYGIO-CRAIPNDOSA-N 3 1 345.491 1.072 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)[NH+]1CCOCC1 ZINC000649285016 451957868 /nfs/dbraw/zinc/95/78/68/451957868.db2.gz UIHQKQXMDSFZPB-GJZGRUSLSA-N 2 1 347.450 1.484 20 0 EDADMP CC[C@@H](CNC(=O)[C@]1(COC)CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000649292851 451969420 /nfs/dbraw/zinc/96/94/20/451969420.db2.gz GWZLECCFGYEDBR-AZUAARDMSA-N 2 1 345.487 1.708 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CN2CCCC[C@@H]([NH3+])C2=O)c1 ZINC000649306280 451983480 /nfs/dbraw/zinc/98/34/80/451983480.db2.gz JUCRMFZWVWDWEQ-QGZVFWFLSA-N 2 1 346.475 1.094 20 0 EDADMP COC[C@@]1(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CCC[NH2+]1 ZINC000649306622 451983671 /nfs/dbraw/zinc/98/36/71/451983671.db2.gz CMNIGQRAFUTADE-GOSISDBHSA-N 2 1 346.406 1.705 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cnn1C ZINC000649306915 451984019 /nfs/dbraw/zinc/98/40/19/451984019.db2.gz ZBQAYFQYVZCUPM-ZZCKCESHSA-N 2 1 347.507 1.268 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2C[NH2+]CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000649323390 452003679 /nfs/dbraw/zinc/00/36/79/452003679.db2.gz ZHFUJRXRRKJWNH-KRWDZBQOSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000649327238 452007200 /nfs/dbraw/zinc/00/72/00/452007200.db2.gz SKWHWUPEHAXLDG-BMFZPTHFSA-N 2 1 331.464 1.576 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000649350100 452032823 /nfs/dbraw/zinc/03/28/23/452032823.db2.gz FCCUYRIXBKPRHT-OALUTQOASA-N 2 1 344.503 1.425 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000649352661 452036989 /nfs/dbraw/zinc/03/69/89/452036989.db2.gz CLUUWNWRSSPNRK-MJGOQNOKSA-N 2 1 344.503 1.642 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@](C)([NH3+])c3ccccc3)CC2)C1 ZINC000649352630 452037195 /nfs/dbraw/zinc/03/71/95/452037195.db2.gz AXFOJUBHPBDJIN-PKOBYXMFSA-N 2 1 330.476 1.099 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000649362743 452042984 /nfs/dbraw/zinc/04/29/84/452042984.db2.gz GLYMFEUXWMFMCV-MJGOQNOKSA-N 2 1 342.487 1.894 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000649362743 452042990 /nfs/dbraw/zinc/04/29/90/452042990.db2.gz GLYMFEUXWMFMCV-MJGOQNOKSA-N 2 1 342.487 1.894 20 0 EDADMP Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)n1 ZINC000649412858 452075872 /nfs/dbraw/zinc/07/58/72/452075872.db2.gz BTQWDJAITZEJNE-QGZVFWFLSA-N 2 1 333.480 1.176 20 0 EDADMP Cc1nccn1[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000649412995 452075910 /nfs/dbraw/zinc/07/59/10/452075910.db2.gz HCKNQGXKAZWRSS-FHWLQOOXSA-N 2 1 328.460 1.759 20 0 EDADMP CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3cccc(C)c3)CC2)CC[C@H]1[NH3+] ZINC000649416879 452080806 /nfs/dbraw/zinc/08/08/06/452080806.db2.gz OQZZFBGKJJGFRK-IEBWSBKVSA-N 2 1 344.503 1.703 20 0 EDADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3cccc(C)c3)CC2)CC[C@H]1[NH3+] ZINC000649416879 452080816 /nfs/dbraw/zinc/08/08/16/452080816.db2.gz OQZZFBGKJJGFRK-IEBWSBKVSA-N 2 1 344.503 1.703 20 0 EDADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000649420405 452081951 /nfs/dbraw/zinc/08/19/51/452081951.db2.gz HNBJHLURRDTRMM-RHSMWYFYSA-N 2 1 343.431 1.850 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000637802076 452091042 /nfs/dbraw/zinc/09/10/42/452091042.db2.gz OZMZHJQABZODQA-HBFSDRIKSA-N 2 1 343.471 1.345 20 0 EDADMP [NH3+]C1(CC(=O)NC[C@H]2CCCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000637817363 452098162 /nfs/dbraw/zinc/09/81/62/452098162.db2.gz UTOQOSDZBNWESE-GOSISDBHSA-N 3 1 344.503 1.628 20 0 EDADMP C[N@@H+]1CCN(CCNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1(C)C ZINC000643261726 452103226 /nfs/dbraw/zinc/10/32/26/452103226.db2.gz HELNQRCTFOADOC-UHFFFAOYSA-N 2 1 349.479 1.026 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1(C)C ZINC000643261726 452103233 /nfs/dbraw/zinc/10/32/33/452103233.db2.gz HELNQRCTFOADOC-UHFFFAOYSA-N 2 1 349.479 1.026 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000645000343 452106826 /nfs/dbraw/zinc/10/68/26/452106826.db2.gz LNLIHHRBRBLSBJ-XJKSGUPXSA-N 2 1 326.404 1.825 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CO1 ZINC000647181851 452110521 /nfs/dbraw/zinc/11/05/21/452110521.db2.gz VYYOWULBZVIJAK-FHLIZLRMSA-N 2 1 331.460 1.651 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NS(=O)(=O)CCn3ccnc3)C2)cc1 ZINC000641642329 452159467 /nfs/dbraw/zinc/15/94/67/452159467.db2.gz UVTCNIZVPFRYBP-KRWDZBQOSA-N 2 1 348.472 1.385 20 0 EDADMP Cc1ccc(CN2CC[C@H](NS(=O)(=O)CCn3ccnc3)C2)cc1 ZINC000641642329 452159474 /nfs/dbraw/zinc/15/94/74/452159474.db2.gz UVTCNIZVPFRYBP-KRWDZBQOSA-N 2 1 348.472 1.385 20 0 EDADMP CCCN(C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000645155051 452182705 /nfs/dbraw/zinc/18/27/05/452182705.db2.gz VMPFPISVPNLNKO-KRWDZBQOSA-N 2 1 339.528 1.138 20 0 EDADMP CCCN(C(=O)NC1CC[NH+](CCN(C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000645155051 452182713 /nfs/dbraw/zinc/18/27/13/452182713.db2.gz VMPFPISVPNLNKO-KRWDZBQOSA-N 2 1 339.528 1.138 20 0 EDADMP CCCN(C(=O)NC1CC[NH+](CCN(C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000645155051 452182719 /nfs/dbraw/zinc/18/27/19/452182719.db2.gz VMPFPISVPNLNKO-KRWDZBQOSA-N 2 1 339.528 1.138 20 0 EDADMP O[C@]1(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCOC1 ZINC000651944246 452184846 /nfs/dbraw/zinc/18/48/46/452184846.db2.gz QHNKODCBXBABOY-LJQANCHMSA-N 2 1 336.451 1.964 20 0 EDADMP CCN(C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000663543672 452248109 /nfs/dbraw/zinc/24/81/09/452248109.db2.gz OOKBZAPXVGXRKE-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP CCN(C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000663543672 452248114 /nfs/dbraw/zinc/24/81/14/452248114.db2.gz OOKBZAPXVGXRKE-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP CCN(C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000663543672 452248118 /nfs/dbraw/zinc/24/81/18/452248118.db2.gz OOKBZAPXVGXRKE-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP CCN(C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000663543672 452248130 /nfs/dbraw/zinc/24/81/30/452248130.db2.gz OOKBZAPXVGXRKE-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1)N1CC[NH2+]CC1 ZINC000641796774 452271745 /nfs/dbraw/zinc/27/17/45/452271745.db2.gz KEYDMWYAKYODHC-SJORKVTESA-N 2 1 335.492 1.622 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641802863 452276529 /nfs/dbraw/zinc/27/65/29/452276529.db2.gz BMKGFODSFJXPGP-WKPIXPDZSA-N 2 1 325.403 1.727 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000647549117 452278160 /nfs/dbraw/zinc/27/81/60/452278160.db2.gz IVYMMZUIFPHGOY-KFKAGJAMSA-N 2 1 344.503 1.472 20 0 EDADMP Cc1ccc(C[N@@H+](CC2CC2)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cn1 ZINC000647552496 452279367 /nfs/dbraw/zinc/27/93/67/452279367.db2.gz BRSSFGNEFCECHM-SFHVURJKSA-N 2 1 330.476 1.799 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1OC ZINC000641804214 452280223 /nfs/dbraw/zinc/28/02/23/452280223.db2.gz JPQMYXHSBLYXAT-VUCTXSBTSA-N 2 1 349.475 1.905 20 0 EDADMP C[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487879 452284171 /nfs/dbraw/zinc/28/41/71/452284171.db2.gz OOCCLJRUGSWLMO-XUWVNRHRSA-N 2 1 325.497 1.626 20 0 EDADMP C[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487879 452284185 /nfs/dbraw/zinc/28/41/85/452284185.db2.gz OOCCLJRUGSWLMO-XUWVNRHRSA-N 2 1 325.497 1.626 20 0 EDADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000641804958 452284159 /nfs/dbraw/zinc/28/41/59/452284159.db2.gz MHXWGOOMEMZKON-SHUKQUCYSA-N 2 1 333.432 1.047 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1OC ZINC000641805803 452285519 /nfs/dbraw/zinc/28/55/19/452285519.db2.gz OPCYSOFSFNLKDD-KNXALSJPSA-N 2 1 335.448 1.424 20 0 EDADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000641805830 452286420 /nfs/dbraw/zinc/28/64/20/452286420.db2.gz OWHSDYNHSPUPBV-XZJROXQQSA-N 2 1 333.432 1.890 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000639975013 452309253 /nfs/dbraw/zinc/30/92/53/452309253.db2.gz ZJGLEXXAOUFUDZ-QGZVFWFLSA-N 2 1 344.463 1.600 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000639975013 452309260 /nfs/dbraw/zinc/30/92/60/452309260.db2.gz ZJGLEXXAOUFUDZ-QGZVFWFLSA-N 2 1 344.463 1.600 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000661507862 452313041 /nfs/dbraw/zinc/31/30/41/452313041.db2.gz LWCQYHPWMHXQBJ-HNNXBMFYSA-N 2 1 331.464 1.786 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@]1(O)CCC[C@@H]1C ZINC000665762619 452338878 /nfs/dbraw/zinc/33/88/78/452338878.db2.gz KLRBAWJBGAEQBE-ZOBUZTSGSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@]1(O)CCC[C@@H]1C ZINC000665762619 452338887 /nfs/dbraw/zinc/33/88/87/452338887.db2.gz KLRBAWJBGAEQBE-ZOBUZTSGSA-N 2 1 328.501 1.109 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4nccnc4c3)CC2)C1 ZINC000638058772 452349672 /nfs/dbraw/zinc/34/96/72/452349672.db2.gz XFABUDZWEDHUAZ-KRWDZBQOSA-N 2 1 325.460 1.842 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4nccnc4c3)CC2)C1 ZINC000638058772 452349680 /nfs/dbraw/zinc/34/96/80/452349680.db2.gz XFABUDZWEDHUAZ-KRWDZBQOSA-N 2 1 325.460 1.842 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000638073561 452383788 /nfs/dbraw/zinc/38/37/88/452383788.db2.gz FFYXMWAJQXWMHD-KSZLIROESA-N 2 1 330.476 1.189 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000638073561 452383795 /nfs/dbraw/zinc/38/37/95/452383795.db2.gz FFYXMWAJQXWMHD-KSZLIROESA-N 2 1 330.476 1.189 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000638073561 452383802 /nfs/dbraw/zinc/38/38/02/452383802.db2.gz FFYXMWAJQXWMHD-KSZLIROESA-N 2 1 330.476 1.189 20 0 EDADMP C[C@@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000645422604 452392683 /nfs/dbraw/zinc/39/26/83/452392683.db2.gz OWNRVYCPNUWLRK-OAHLLOKOSA-N 2 1 336.480 1.143 20 0 EDADMP [NH3+]C[C@]1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CCCOC1 ZINC000638081300 452397907 /nfs/dbraw/zinc/39/79/07/452397907.db2.gz WZWSYJBRODXYQY-UYAOXDASSA-N 2 1 345.487 1.913 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652215599 452410527 /nfs/dbraw/zinc/41/05/27/452410527.db2.gz WXVITDRPPPXUHJ-ROUUACIJSA-N 2 1 330.476 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652215599 452410529 /nfs/dbraw/zinc/41/05/29/452410529.db2.gz WXVITDRPPPXUHJ-ROUUACIJSA-N 2 1 330.476 1.697 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCC(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654374246 452424571 /nfs/dbraw/zinc/42/45/71/452424571.db2.gz NZCAHSNHWUQHLR-YESZJQIVSA-N 2 1 340.512 1.515 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC1([NH3+])CCCC1 ZINC000659571764 452427997 /nfs/dbraw/zinc/42/79/97/452427997.db2.gz BYHJRSBAJAFQPR-UHFFFAOYSA-N 2 1 326.485 1.258 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000652289855 452473287 /nfs/dbraw/zinc/47/32/87/452473287.db2.gz HYYUNOOUDLBZGH-UHFFFAOYSA-N 2 1 334.464 1.004 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000654429760 452485495 /nfs/dbraw/zinc/48/54/95/452485495.db2.gz XMHDUBYKYYFJGD-TUVASFSCSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000654429760 452485498 /nfs/dbraw/zinc/48/54/98/452485498.db2.gz XMHDUBYKYYFJGD-TUVASFSCSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000654429760 452485511 /nfs/dbraw/zinc/48/55/11/452485511.db2.gz XMHDUBYKYYFJGD-TUVASFSCSA-N 2 1 326.485 1.266 20 0 EDADMP CCN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000663765430 452495076 /nfs/dbraw/zinc/49/50/76/452495076.db2.gz XPRZCTVUFNQXMI-ZWKOTPCHSA-N 2 1 332.492 1.895 20 0 EDADMP C[N@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000652340022 452510658 /nfs/dbraw/zinc/51/06/58/452510658.db2.gz YWNWTAUZLLUJMB-SJPCQFCGSA-N 2 1 349.500 1.842 20 0 EDADMP C[N@@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000652340022 452510667 /nfs/dbraw/zinc/51/06/67/452510667.db2.gz YWNWTAUZLLUJMB-SJPCQFCGSA-N 2 1 349.500 1.842 20 0 EDADMP CC(C)[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)N1CCOCC1 ZINC000655690923 452513317 /nfs/dbraw/zinc/51/33/17/452513317.db2.gz AGPMHKNOYINANZ-MSOLQXFVSA-N 2 1 325.497 1.186 20 0 EDADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C(C)C ZINC000652345387 452519543 /nfs/dbraw/zinc/51/95/43/452519543.db2.gz AWVZDFIMMRHUIX-GVDBMIGSSA-N 2 1 325.497 1.850 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COCc1ccccc1 ZINC000655708124 452525891 /nfs/dbraw/zinc/52/58/91/452525891.db2.gz DSQJGEOMKGYPNO-RTBURBONSA-N 2 1 334.460 1.407 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NCCOc1cccc(F)c1)C2 ZINC000652351648 452528610 /nfs/dbraw/zinc/52/86/10/452528610.db2.gz NSEQVIKEQQOZDS-KSSFIOAISA-N 2 1 335.423 1.382 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCCOc1cccc(F)c1)C2 ZINC000652351648 452528616 /nfs/dbraw/zinc/52/86/16/452528616.db2.gz NSEQVIKEQQOZDS-KSSFIOAISA-N 2 1 335.423 1.382 20 0 EDADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)[C@@H]1CC[NH3+] ZINC000652354122 452531746 /nfs/dbraw/zinc/53/17/46/452531746.db2.gz NLPCTGCFBLPUHP-XJKSGUPXSA-N 2 1 332.448 1.563 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655714581 452532688 /nfs/dbraw/zinc/53/26/88/452532688.db2.gz AFVPFFATPUCAFJ-BPQIPLTHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000647817427 452548588 /nfs/dbraw/zinc/54/85/88/452548588.db2.gz KHMQEBFUVDJUTA-CVEARBPZSA-N 2 1 340.512 1.020 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000659683397 452557210 /nfs/dbraw/zinc/55/72/10/452557210.db2.gz XULIRRJBHGSDSF-OLZOCXBDSA-N 2 1 343.431 1.082 20 0 EDADMP C[C@@H](Cn1cncn1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000657852678 452567189 /nfs/dbraw/zinc/56/71/89/452567189.db2.gz XDIROFMXUUMPIY-HOTGVXAUSA-N 2 1 329.448 1.677 20 0 EDADMP C[C@@H](Cn1cncn1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000657852678 452567199 /nfs/dbraw/zinc/56/71/99/452567199.db2.gz XDIROFMXUUMPIY-HOTGVXAUSA-N 2 1 329.448 1.677 20 0 EDADMP Cn1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1=O ZINC000647919975 452657415 /nfs/dbraw/zinc/65/74/15/452657415.db2.gz WUETWYLYQIHYSS-HNNXBMFYSA-N 2 1 344.484 1.986 20 0 EDADMP Cn1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1=O ZINC000647919975 452657427 /nfs/dbraw/zinc/65/74/27/452657427.db2.gz WUETWYLYQIHYSS-HNNXBMFYSA-N 2 1 344.484 1.986 20 0 EDADMP Cn1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1=O ZINC000647919976 452657444 /nfs/dbraw/zinc/65/74/44/452657444.db2.gz WUETWYLYQIHYSS-OAHLLOKOSA-N 2 1 344.484 1.986 20 0 EDADMP Cn1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1=O ZINC000647919976 452657458 /nfs/dbraw/zinc/65/74/58/452657458.db2.gz WUETWYLYQIHYSS-OAHLLOKOSA-N 2 1 344.484 1.986 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000647962182 452705066 /nfs/dbraw/zinc/70/50/66/452705066.db2.gz QRPAJRMOSBDDNJ-JZXOWHBKSA-N 2 1 327.513 1.120 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000647962182 452705071 /nfs/dbraw/zinc/70/50/71/452705071.db2.gz QRPAJRMOSBDDNJ-JZXOWHBKSA-N 2 1 327.513 1.120 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000647962182 452705081 /nfs/dbraw/zinc/70/50/81/452705081.db2.gz QRPAJRMOSBDDNJ-JZXOWHBKSA-N 2 1 327.513 1.120 20 0 EDADMP CCN(C)C[C@H](O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000647962182 452705085 /nfs/dbraw/zinc/70/50/85/452705085.db2.gz QRPAJRMOSBDDNJ-JZXOWHBKSA-N 2 1 327.513 1.120 20 0 EDADMP CCN(C)C[C@H](O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000647962182 452705090 /nfs/dbraw/zinc/70/50/90/452705090.db2.gz QRPAJRMOSBDDNJ-JZXOWHBKSA-N 2 1 327.513 1.120 20 0 EDADMP C(N1CC[NH+]2CCC[C@H]2C1)C1(CN2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000647963134 452707936 /nfs/dbraw/zinc/70/79/36/452707936.db2.gz JIXYAQWFKOFRLH-OALUTQOASA-N 2 1 332.536 1.717 20 0 EDADMP C(N1CC[N@@H+]2CCC[C@H]2C1)C1(C[NH+]2CCN3CCC[C@H]3C2)CCC1 ZINC000647963134 452707951 /nfs/dbraw/zinc/70/79/51/452707951.db2.gz JIXYAQWFKOFRLH-OALUTQOASA-N 2 1 332.536 1.717 20 0 EDADMP C(N1CC[N@H+]2CCC[C@H]2C1)C1(C[NH+]2CCN3CCC[C@H]3C2)CCC1 ZINC000647963134 452707960 /nfs/dbraw/zinc/70/79/60/452707960.db2.gz JIXYAQWFKOFRLH-OALUTQOASA-N 2 1 332.536 1.717 20 0 EDADMP C(N1CC[NH+]2CCC[C@H]2C1)C1(C[N@@H+]2CCN3CCC[C@H]3C2)CCC1 ZINC000647963134 452707968 /nfs/dbraw/zinc/70/79/68/452707968.db2.gz JIXYAQWFKOFRLH-OALUTQOASA-N 2 1 332.536 1.717 20 0 EDADMP C(N1CC[NH+]2CCC[C@H]2C1)C1(C[N@H+]2CCN3CCC[C@H]3C2)CCC1 ZINC000647963134 452707975 /nfs/dbraw/zinc/70/79/75/452707975.db2.gz JIXYAQWFKOFRLH-OALUTQOASA-N 2 1 332.536 1.717 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000647966484 452711309 /nfs/dbraw/zinc/71/13/09/452711309.db2.gz VRHXDLMBFORUJT-HXUWFJFHSA-N 2 1 348.535 1.721 20 0 EDADMP Cn1ncc2c1nc(C[N@@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)[nH]c2=O ZINC000647975595 452720677 /nfs/dbraw/zinc/72/06/77/452720677.db2.gz CLHMYBMOBYACJO-STQMWFEESA-N 2 1 330.436 1.281 20 0 EDADMP Cn1ncc2c1nc(C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)[nH]c2=O ZINC000647975595 452720685 /nfs/dbraw/zinc/72/06/85/452720685.db2.gz CLHMYBMOBYACJO-STQMWFEESA-N 2 1 330.436 1.281 20 0 EDADMP O=c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2sccn21 ZINC000647977038 452720903 /nfs/dbraw/zinc/72/09/03/452720903.db2.gz XJLOMECRZVKEGY-KBPBESRZSA-N 2 1 332.473 1.968 20 0 EDADMP O=c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2ccccn12 ZINC000647975682 452721120 /nfs/dbraw/zinc/72/11/20/452721120.db2.gz DMXYYDJPJSUEHC-HOTGVXAUSA-N 2 1 326.444 1.906 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000659845308 452731594 /nfs/dbraw/zinc/73/15/94/452731594.db2.gz UKCVHMLCGXRECY-SJLPKXTDSA-N 2 1 339.524 1.658 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970748 452751767 /nfs/dbraw/zinc/75/17/67/452751767.db2.gz LACDCCHXCLGJCL-LVQVYYBASA-N 2 1 328.501 1.499 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970748 452751775 /nfs/dbraw/zinc/75/17/75/452751775.db2.gz LACDCCHXCLGJCL-LVQVYYBASA-N 2 1 328.501 1.499 20 0 EDADMP CCN(C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000664174792 452844764 /nfs/dbraw/zinc/84/47/64/452844764.db2.gz VMGSGPBDMNAQCQ-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000648149070 452861200 /nfs/dbraw/zinc/86/12/00/452861200.db2.gz GUFPGSPWLVRIPR-QGZVFWFLSA-N 2 1 346.475 1.131 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654734942 452861708 /nfs/dbraw/zinc/86/17/08/452861708.db2.gz NRUKBLYNAFZZKD-ZACQAIPSSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654734942 452861719 /nfs/dbraw/zinc/86/17/19/452861719.db2.gz NRUKBLYNAFZZKD-ZACQAIPSSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654734942 452861730 /nfs/dbraw/zinc/86/17/30/452861730.db2.gz NRUKBLYNAFZZKD-ZACQAIPSSA-N 2 1 338.496 1.149 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)C2)C1 ZINC000662140546 452874274 /nfs/dbraw/zinc/87/42/74/452874274.db2.gz INMHNJPWIJVLSO-UYAOXDASSA-N 2 1 342.487 1.998 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000662140546 452874277 /nfs/dbraw/zinc/87/42/77/452874277.db2.gz INMHNJPWIJVLSO-UYAOXDASSA-N 2 1 342.487 1.998 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)C2)C1 ZINC000662140546 452874281 /nfs/dbraw/zinc/87/42/81/452874281.db2.gz INMHNJPWIJVLSO-UYAOXDASSA-N 2 1 342.487 1.998 20 0 EDADMP CNS(=O)(=O)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000659983423 452891306 /nfs/dbraw/zinc/89/13/06/452891306.db2.gz MAIYFRIMVGFKAI-DZGCQCFKSA-N 2 1 325.478 1.509 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000659983423 452891319 /nfs/dbraw/zinc/89/13/19/452891319.db2.gz MAIYFRIMVGFKAI-DZGCQCFKSA-N 2 1 325.478 1.509 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000659983423 452891329 /nfs/dbraw/zinc/89/13/29/452891329.db2.gz MAIYFRIMVGFKAI-DZGCQCFKSA-N 2 1 325.478 1.509 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722368 452952479 /nfs/dbraw/zinc/95/24/79/452952479.db2.gz QXZDJBAVGRRQDH-KSZLIROESA-N 2 1 331.460 1.907 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3ccon3)CC2)CC1 ZINC000654823630 452952760 /nfs/dbraw/zinc/95/27/60/452952760.db2.gz QYUPPEKOBHUNBV-UHFFFAOYSA-N 2 1 334.464 1.829 20 0 EDADMP CO[C@H](C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000662266359 452997539 /nfs/dbraw/zinc/99/75/39/452997539.db2.gz WREWMPKANMBEOO-RYQLBKOJSA-N 2 1 337.508 1.772 20 0 EDADMP CCN(C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)[C@H]1CC[N@H+](CC)C1 ZINC000658468386 453003653 /nfs/dbraw/zinc/00/36/53/453003653.db2.gz TXKVEFCDFAXQBN-HNNXBMFYSA-N 2 1 343.431 1.524 20 0 EDADMP CCN(C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)[C@H]1CC[N@@H+](CC)C1 ZINC000658468386 453003662 /nfs/dbraw/zinc/00/36/62/453003662.db2.gz TXKVEFCDFAXQBN-HNNXBMFYSA-N 2 1 343.431 1.524 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000662294706 453017249 /nfs/dbraw/zinc/01/72/49/453017249.db2.gz SCUXHDFKGQJVDQ-WBVHZDCISA-N 2 1 343.537 1.370 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)[C@@H]1CCC[NH3+] ZINC000662313605 453030715 /nfs/dbraw/zinc/03/07/15/453030715.db2.gz JJHPXZUOZMIKDY-BRSBDYLESA-N 2 1 337.508 1.996 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)cc1 ZINC000662315824 453033021 /nfs/dbraw/zinc/03/30/21/453033021.db2.gz HJFVMILRCPKXJH-DLBZAZTESA-N 2 1 333.476 1.974 20 0 EDADMP C[C@H](C(=O)N(C)C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327518 453045287 /nfs/dbraw/zinc/04/52/87/453045287.db2.gz QJZKXKKECYGHKN-CYBMUJFWSA-N 2 1 333.480 1.533 20 0 EDADMP CC(C)(C)NC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326900 453046011 /nfs/dbraw/zinc/04/60/11/453046011.db2.gz ADHPAJZLAZCSBC-UHFFFAOYSA-N 2 1 347.507 1.971 20 0 EDADMP Cc1ncccc1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337621 453056249 /nfs/dbraw/zinc/05/62/49/453056249.db2.gz MDROASKRDCEAFZ-QGZVFWFLSA-N 2 1 340.475 1.902 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000662364811 453075755 /nfs/dbraw/zinc/07/57/55/453075755.db2.gz MBLYBXFLWRQJPR-MJBXVCDLSA-N 2 1 349.479 1.104 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000662364811 453075761 /nfs/dbraw/zinc/07/57/61/453075761.db2.gz MBLYBXFLWRQJPR-MJBXVCDLSA-N 2 1 349.479 1.104 20 0 EDADMP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC[NH+](C2CCCC2)CC1 ZINC000662377681 453085983 /nfs/dbraw/zinc/08/59/83/453085983.db2.gz NFBLZEAPTQLATE-UHFFFAOYSA-N 2 1 332.448 1.842 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644160232 453091099 /nfs/dbraw/zinc/09/10/99/453091099.db2.gz VBAFQTLWNLCWTP-VNQPRFMTSA-N 2 1 337.414 1.868 20 0 EDADMP CCN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000664473500 453125037 /nfs/dbraw/zinc/12/50/37/453125037.db2.gz RZGPPGGJSNFVKH-ZACQAIPSSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000655011660 453132577 /nfs/dbraw/zinc/13/25/77/453132577.db2.gz DWESHHPJJDOZQM-XLIONFOSSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000655011660 453132584 /nfs/dbraw/zinc/13/25/84/453132584.db2.gz DWESHHPJJDOZQM-XLIONFOSSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000655011660 453132591 /nfs/dbraw/zinc/13/25/91/453132591.db2.gz DWESHHPJJDOZQM-XLIONFOSSA-N 2 1 345.487 1.424 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000650956056 453140725 /nfs/dbraw/zinc/14/07/25/453140725.db2.gz MJOQOGGLNZOFNJ-MRXNPFEDSA-N 2 1 330.542 1.701 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653059126 453236256 /nfs/dbraw/zinc/23/62/56/453236256.db2.gz VPKBMWNVSCZJIY-SJORKVTESA-N 2 1 335.492 1.668 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC000648786459 453271234 /nfs/dbraw/zinc/27/12/34/453271234.db2.gz CASLUSPGGVWEGO-QBPKDAKJSA-N 2 1 325.497 1.580 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[NH+]1CCOCC1 ZINC000653107297 453290323 /nfs/dbraw/zinc/29/03/23/453290323.db2.gz CROOPLKFDIWTBS-BZSNNMDCSA-N 2 1 337.508 1.770 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000653108312 453291058 /nfs/dbraw/zinc/29/10/58/453291058.db2.gz RVIQYGZENMMGHC-IAGOWNOFSA-N 2 1 325.497 1.629 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2Br)CC[NH2+]1 ZINC000662562915 453291087 /nfs/dbraw/zinc/29/10/87/453291087.db2.gz QZOISMIOZXKYHI-GBIKHYSHSA-N 2 1 326.238 1.706 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000653123344 453315416 /nfs/dbraw/zinc/31/54/16/453315416.db2.gz VTSKUDLANFPSSI-GUYCJALGSA-N 2 1 329.448 1.637 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000662660187 453373943 /nfs/dbraw/zinc/37/39/43/453373943.db2.gz ZNZIFRQPRUEGMO-RBUKOAKNSA-N 2 1 345.487 1.530 20 0 EDADMP C[C@@H](C(=O)N1CC2CC1(C[NH3+])C2)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000662678367 453398736 /nfs/dbraw/zinc/39/87/36/453398736.db2.gz DBRYVUTULQFOHW-XVTSOASTSA-N 2 1 346.450 1.286 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)[C@H](C[NH3+])C1 ZINC000662700129 453420611 /nfs/dbraw/zinc/42/06/11/453420611.db2.gz MWZHEIOKERZGAZ-NJAFHUGGSA-N 2 1 330.476 1.879 20 0 EDADMP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662705921 453429081 /nfs/dbraw/zinc/42/90/81/453429081.db2.gz WHASXSMGZBMBRS-BVIKNXMNSA-N 2 1 335.492 1.654 20 0 EDADMP C[N@@H+](CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000660592682 453435393 /nfs/dbraw/zinc/43/53/93/453435393.db2.gz URWLBNAPCLKLGU-QGZVFWFLSA-N 2 1 338.496 1.413 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662743729 453471184 /nfs/dbraw/zinc/47/11/84/453471184.db2.gz LLGNNSYDPGLMOQ-MSOLQXFVSA-N 2 1 332.492 1.292 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1 ZINC000662751458 453484113 /nfs/dbraw/zinc/48/41/13/453484113.db2.gz TZGVANDRUDFHHZ-ZLIFDBKOSA-N 2 1 328.416 1.722 20 0 EDADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655864 453493539 /nfs/dbraw/zinc/49/35/39/453493539.db2.gz JHWPKTLDYWTTFL-HOTGVXAUSA-N 2 1 329.510 1.076 20 0 EDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655864 453493548 /nfs/dbraw/zinc/49/35/48/453493548.db2.gz JHWPKTLDYWTTFL-HOTGVXAUSA-N 2 1 329.510 1.076 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655864 453493555 /nfs/dbraw/zinc/49/35/55/453493555.db2.gz JHWPKTLDYWTTFL-HOTGVXAUSA-N 2 1 329.510 1.076 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655864 453493560 /nfs/dbraw/zinc/49/35/60/453493560.db2.gz JHWPKTLDYWTTFL-HOTGVXAUSA-N 2 1 329.510 1.076 20 0 EDADMP CC1(C)CC[NH2+][C@@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000662758657 453496381 /nfs/dbraw/zinc/49/63/81/453496381.db2.gz RJFQOAHFKKCNLI-QGZVFWFLSA-N 2 1 345.491 1.098 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000662758256 453496440 /nfs/dbraw/zinc/49/64/40/453496440.db2.gz PLUDNGCUJPOSBI-IYARVYRRSA-N 2 1 330.476 1.178 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000662788010 453522345 /nfs/dbraw/zinc/52/23/45/453522345.db2.gz FVTHEFGPYQPBPB-MOPGFXCFSA-N 2 1 345.487 1.517 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000660701403 453526171 /nfs/dbraw/zinc/52/61/71/453526171.db2.gz SCRZDOFSSVJDKX-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP O=C(CC1CC[NH2+]CC1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662857594 453573886 /nfs/dbraw/zinc/57/38/86/453573886.db2.gz BLOJKULRGVREIH-SFHVURJKSA-N 2 1 331.460 1.259 20 0 EDADMP OCC1([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc2)CCOCC1 ZINC000665209448 453608912 /nfs/dbraw/zinc/60/89/12/453608912.db2.gz JFRBBKIKBHVSCL-MOPGFXCFSA-N 2 1 348.487 1.563 20 0 EDADMP CCN(C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000665254761 453626752 /nfs/dbraw/zinc/62/67/52/453626752.db2.gz YSYLZRVVOHBBRL-NXOAAHMSSA-N 2 1 340.512 1.610 20 0 EDADMP CCN(C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000665254761 453626756 /nfs/dbraw/zinc/62/67/56/453626756.db2.gz YSYLZRVVOHBBRL-NXOAAHMSSA-N 2 1 340.512 1.610 20 0 EDADMP CCN(C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000665254761 453626759 /nfs/dbraw/zinc/62/67/59/453626759.db2.gz YSYLZRVVOHBBRL-NXOAAHMSSA-N 2 1 340.512 1.610 20 0 EDADMP CCN(C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000665254761 453626764 /nfs/dbraw/zinc/62/67/64/453626764.db2.gz YSYLZRVVOHBBRL-NXOAAHMSSA-N 2 1 340.512 1.610 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659095552 453628522 /nfs/dbraw/zinc/62/85/22/453628522.db2.gz DQRKUWWQTPOMBM-HNNXBMFYSA-N 2 1 332.448 1.334 20 0 EDADMP C[C@@H]1C[C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000665291403 453638010 /nfs/dbraw/zinc/63/80/10/453638010.db2.gz BFCABIXRXWIGPF-GDBMZVCRSA-N 2 1 341.459 1.784 20 0 EDADMP C[C@@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659329556 453718172 /nfs/dbraw/zinc/71/81/72/453718172.db2.gz JMTIMVDDUXQVKZ-OIPACUDHSA-N 2 1 331.460 1.835 20 0 EDADMP C[C@@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659329556 453718173 /nfs/dbraw/zinc/71/81/73/453718173.db2.gz JMTIMVDDUXQVKZ-OIPACUDHSA-N 2 1 331.460 1.835 20 0 EDADMP Cn1ncc(C2CCC2)c1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000657349162 453771547 /nfs/dbraw/zinc/77/15/47/453771547.db2.gz DAQGHTSBFSTFDT-HNNXBMFYSA-N 2 1 333.480 1.365 20 0 EDADMP Cn1ncc(C2CCC2)c1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000657349162 453771549 /nfs/dbraw/zinc/77/15/49/453771549.db2.gz DAQGHTSBFSTFDT-HNNXBMFYSA-N 2 1 333.480 1.365 20 0 EDADMP O=C(CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Nc1cccc(F)c1 ZINC000663365329 453780964 /nfs/dbraw/zinc/78/09/64/453780964.db2.gz ZJCQEHXZVKWXQU-KRWDZBQOSA-N 2 1 335.423 1.997 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000663448547 453801305 /nfs/dbraw/zinc/80/13/05/453801305.db2.gz ZWNORNCKMHHQMX-ZWKOTPCHSA-N 2 1 332.492 1.943 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000663480718 453805811 /nfs/dbraw/zinc/80/58/11/453805811.db2.gz SRERBFANQAVTSH-MRXNPFEDSA-N 2 1 342.528 1.763 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000663480718 453805812 /nfs/dbraw/zinc/80/58/12/453805812.db2.gz SRERBFANQAVTSH-MRXNPFEDSA-N 2 1 342.528 1.763 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000663480718 453805814 /nfs/dbraw/zinc/80/58/14/453805814.db2.gz SRERBFANQAVTSH-MRXNPFEDSA-N 2 1 342.528 1.763 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663498442 453810531 /nfs/dbraw/zinc/81/05/31/453810531.db2.gz SRCRIYWVDFJTBD-YUELXQCFSA-N 3 1 336.505 1.650 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663498442 453810533 /nfs/dbraw/zinc/81/05/33/453810533.db2.gz SRCRIYWVDFJTBD-YUELXQCFSA-N 3 1 336.505 1.650 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[C@@H]1CCSC1 ZINC000614437952 486654369 /nfs/dbraw/zinc/65/43/69/486654369.db2.gz LAUNFYLPOWYFAL-JKSUJKDBSA-N 2 1 341.521 1.137 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000676245129 486705277 /nfs/dbraw/zinc/70/52/77/486705277.db2.gz FKWMPYRHRHWPRE-BRWVUGGUSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676245129 486705281 /nfs/dbraw/zinc/70/52/81/486705281.db2.gz FKWMPYRHRHWPRE-BRWVUGGUSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676245129 486705284 /nfs/dbraw/zinc/70/52/84/486705284.db2.gz FKWMPYRHRHWPRE-BRWVUGGUSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676245129 486705288 /nfs/dbraw/zinc/70/52/88/486705288.db2.gz FKWMPYRHRHWPRE-BRWVUGGUSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676245129 486705293 /nfs/dbraw/zinc/70/52/93/486705293.db2.gz FKWMPYRHRHWPRE-BRWVUGGUSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676243433 486704024 /nfs/dbraw/zinc/70/40/24/486704024.db2.gz MRZSEDAPMIGETL-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676243433 486704027 /nfs/dbraw/zinc/70/40/27/486704027.db2.gz MRZSEDAPMIGETL-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676243433 486704030 /nfs/dbraw/zinc/70/40/30/486704030.db2.gz MRZSEDAPMIGETL-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676243433 486704033 /nfs/dbraw/zinc/70/40/33/486704033.db2.gz MRZSEDAPMIGETL-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC12CCOCC2)c1ccccc1 ZINC000683526333 486744376 /nfs/dbraw/zinc/74/43/76/486744376.db2.gz NAZDDBISKZVLLU-QGZVFWFLSA-N 2 1 331.460 1.660 20 0 EDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000577506119 486776946 /nfs/dbraw/zinc/77/69/46/486776946.db2.gz SJUAURMMXWJZGS-SJLPKXTDSA-N 2 1 333.476 1.441 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000577506119 486776952 /nfs/dbraw/zinc/77/69/52/486776952.db2.gz SJUAURMMXWJZGS-SJLPKXTDSA-N 2 1 333.476 1.441 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000577506119 486776955 /nfs/dbraw/zinc/77/69/55/486776955.db2.gz SJUAURMMXWJZGS-SJLPKXTDSA-N 2 1 333.476 1.441 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000577506119 486776959 /nfs/dbraw/zinc/77/69/59/486776959.db2.gz SJUAURMMXWJZGS-SJLPKXTDSA-N 2 1 333.476 1.441 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000673082446 486903432 /nfs/dbraw/zinc/90/34/32/486903432.db2.gz LAKYVWAROLDCTO-UHFFFAOYSA-N 2 1 349.479 1.472 20 0 EDADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)CN3CC[NH+](C)CC3)cccc21 ZINC000684089736 486940866 /nfs/dbraw/zinc/94/08/66/486940866.db2.gz QHFRWIVCGJKIPO-INIZCTEOSA-N 2 1 332.448 1.258 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1 ZINC000684197494 486980991 /nfs/dbraw/zinc/98/09/91/486980991.db2.gz HIBUCSWIMWUJFU-GOSISDBHSA-N 2 1 349.523 1.995 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681274425 486998870 /nfs/dbraw/zinc/99/88/70/486998870.db2.gz OUXLYXQMHGEWDN-DOTOQJQBSA-N 2 1 338.540 1.780 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681274425 486998874 /nfs/dbraw/zinc/99/88/74/486998874.db2.gz OUXLYXQMHGEWDN-DOTOQJQBSA-N 2 1 338.540 1.780 20 0 EDADMP C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685469532 487280373 /nfs/dbraw/zinc/28/03/73/487280373.db2.gz LETDUPFXRFUHRI-INIZCTEOSA-N 2 1 331.460 1.872 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000675196481 487388575 /nfs/dbraw/zinc/38/85/75/487388575.db2.gz BIJNUQSDMFZVGH-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn2c(n1)CCCC2 ZINC000337845556 485691164 /nfs/dbraw/zinc/69/11/64/485691164.db2.gz OLOKBKGSTWGARU-MRXNPFEDSA-N 2 1 347.507 1.708 20 0 EDADMP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000669131919 485718783 /nfs/dbraw/zinc/71/87/83/485718783.db2.gz VFGYBOQDXMKNCI-XHSDSOJGSA-N 2 1 348.495 1.364 20 0 EDADMP CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC000669131919 485718789 /nfs/dbraw/zinc/71/87/89/485718789.db2.gz VFGYBOQDXMKNCI-XHSDSOJGSA-N 2 1 348.495 1.364 20 0 EDADMP CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC000669131919 485718794 /nfs/dbraw/zinc/71/87/94/485718794.db2.gz VFGYBOQDXMKNCI-XHSDSOJGSA-N 2 1 348.495 1.364 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669310716 485957841 /nfs/dbraw/zinc/95/78/41/485957841.db2.gz BGVIWSYHRQYIQE-QKPAOTATSA-N 2 1 326.485 1.112 20 0 EDADMP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000327436566 485973037 /nfs/dbraw/zinc/97/30/37/485973037.db2.gz PYQWXTVHMIJNAV-AWEZNQCLSA-N 2 1 343.431 1.332 20 0 EDADMP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000327436566 485973041 /nfs/dbraw/zinc/97/30/41/485973041.db2.gz PYQWXTVHMIJNAV-AWEZNQCLSA-N 2 1 343.431 1.332 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1CCCC[NH2+]1 ZINC000238131178 486029707 /nfs/dbraw/zinc/02/97/07/486029707.db2.gz PHVBIBPYENYMNK-GOSISDBHSA-N 2 1 330.476 1.063 20 0 EDADMP CC1([NH3+])CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000669396734 486052895 /nfs/dbraw/zinc/05/28/95/486052895.db2.gz GTBIIUIOWZIWOE-UHFFFAOYSA-N 2 1 346.475 1.542 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[C@H]1[NH3+] ZINC000669405503 486076881 /nfs/dbraw/zinc/07/68/81/486076881.db2.gz GQXNAHNYZDCNOF-DZGCQCFKSA-N 2 1 336.505 1.875 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[N@H+]2CCc3sccc3C2)CC[C@H]1[NH3+] ZINC000669405503 486076884 /nfs/dbraw/zinc/07/68/84/486076884.db2.gz GQXNAHNYZDCNOF-DZGCQCFKSA-N 2 1 336.505 1.875 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420546 486140595 /nfs/dbraw/zinc/14/05/95/486140595.db2.gz PEEFHOWFPQLILH-HNNXBMFYSA-N 2 1 340.418 1.792 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000669420546 486140600 /nfs/dbraw/zinc/14/06/00/486140600.db2.gz PEEFHOWFPQLILH-HNNXBMFYSA-N 2 1 340.418 1.792 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000326543234 486213134 /nfs/dbraw/zinc/21/31/34/486213134.db2.gz ZKSKXMTWWSJEOH-UHFFFAOYSA-N 2 1 345.487 1.489 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000668809847 486219075 /nfs/dbraw/zinc/21/90/75/486219075.db2.gz DIKUTDHZCWVPDX-RDJZCZTQSA-N 2 1 334.464 1.266 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000669495445 490998679 /nfs/dbraw/zinc/99/86/79/490998679.db2.gz MXFMOVMIMMAXQQ-IAGOWNOFSA-N 2 1 345.491 1.248 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000073103940 491007483 /nfs/dbraw/zinc/00/74/83/491007483.db2.gz ZORDIQZWYUQKPU-WMZOPIPTSA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000073103940 491007485 /nfs/dbraw/zinc/00/74/85/491007485.db2.gz ZORDIQZWYUQKPU-WMZOPIPTSA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000073103940 491007487 /nfs/dbraw/zinc/00/74/87/491007487.db2.gz ZORDIQZWYUQKPU-WMZOPIPTSA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000073103940 491007489 /nfs/dbraw/zinc/00/74/89/491007489.db2.gz ZORDIQZWYUQKPU-WMZOPIPTSA-N 2 1 330.476 1.893 20 0 EDADMP CC[C@@H](CNC(=O)NCC[NH2+]C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000669292820 491187229 /nfs/dbraw/zinc/18/72/29/491187229.db2.gz AKRNYTDBYRMPPJ-SFHVURJKSA-N 2 1 330.476 1.875 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000236831594 534903315 /nfs/dbraw/zinc/90/33/15/534903315.db2.gz LSINAJIEOACMTG-QGZVFWFLSA-N 2 1 346.475 1.459 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000245493271 536440917 /nfs/dbraw/zinc/44/09/17/536440917.db2.gz LEXRBBFCHIFOAZ-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000245493271 536440920 /nfs/dbraw/zinc/44/09/20/536440920.db2.gz LEXRBBFCHIFOAZ-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000245493271 536440924 /nfs/dbraw/zinc/44/09/24/536440924.db2.gz LEXRBBFCHIFOAZ-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000245493271 536440926 /nfs/dbraw/zinc/44/09/26/536440926.db2.gz LEXRBBFCHIFOAZ-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000119201267 536504900 /nfs/dbraw/zinc/50/49/00/536504900.db2.gz XELRZGVYWBGALT-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000119201267 536504904 /nfs/dbraw/zinc/50/49/04/536504904.db2.gz XELRZGVYWBGALT-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000119201267 536504913 /nfs/dbraw/zinc/50/49/13/536504913.db2.gz XELRZGVYWBGALT-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000186839157 528439372 /nfs/dbraw/zinc/43/93/72/528439372.db2.gz ZOEMGWDDDAQBKP-MSOLQXFVSA-N 2 1 333.476 1.590 20 0 EDADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000186839157 528439377 /nfs/dbraw/zinc/43/93/77/528439377.db2.gz ZOEMGWDDDAQBKP-MSOLQXFVSA-N 2 1 333.476 1.590 20 0 EDADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000186839157 528439382 /nfs/dbraw/zinc/43/93/82/528439382.db2.gz ZOEMGWDDDAQBKP-MSOLQXFVSA-N 2 1 333.476 1.590 20 0 EDADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000186839157 528439384 /nfs/dbraw/zinc/43/93/84/528439384.db2.gz ZOEMGWDDDAQBKP-MSOLQXFVSA-N 2 1 333.476 1.590 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000187117625 528537408 /nfs/dbraw/zinc/53/74/08/528537408.db2.gz DIEHYWAJQVTLKP-UHFFFAOYSA-N 2 1 348.491 1.396 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000236725943 535047737 /nfs/dbraw/zinc/04/77/37/535047737.db2.gz BAENSUCSDWSSRC-SFHVURJKSA-N 2 1 332.492 1.246 20 0 EDADMP CC(C[NH+]1CCSC[C@H]1CCO)C[N@@H+]1CCSC[C@H]1CCO ZINC000347373914 535176595 /nfs/dbraw/zinc/17/65/95/535176595.db2.gz REKNTAIROLQFBJ-HZPDHXFCSA-N 2 1 348.578 1.222 20 0 EDADMP CC(C[NH+]1CCSC[C@H]1CCO)C[N@H+]1CCSC[C@H]1CCO ZINC000347373914 535176598 /nfs/dbraw/zinc/17/65/98/535176598.db2.gz REKNTAIROLQFBJ-HZPDHXFCSA-N 2 1 348.578 1.222 20 0 EDADMP CC[N@H+]1CCCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000271596999 535515836 /nfs/dbraw/zinc/51/58/36/535515836.db2.gz YQHWXDVPBKUAHT-UHFFFAOYSA-N 2 1 347.463 1.407 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CC)CC2)[C@H](C)C1 ZINC000247198670 535521032 /nfs/dbraw/zinc/52/10/32/535521032.db2.gz LSZINTFRQUEOKY-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CC)CC2)[C@H](C)C1 ZINC000247198670 535521036 /nfs/dbraw/zinc/52/10/36/535521036.db2.gz LSZINTFRQUEOKY-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccnc(C)n1 ZINC000339655136 535593018 /nfs/dbraw/zinc/59/30/18/535593018.db2.gz IVXZIBAANHAYOI-SFHVURJKSA-N 2 1 347.507 1.592 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[N@H+](CC)C[C@H]3C)C2)nc1 ZINC000346835153 535690384 /nfs/dbraw/zinc/69/03/84/535690384.db2.gz OMULUQVMBXHMEB-RHSMWYFYSA-N 2 1 346.475 1.767 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[N@@H+](CC)C[C@H]3C)C2)nc1 ZINC000346835153 535690390 /nfs/dbraw/zinc/69/03/90/535690390.db2.gz OMULUQVMBXHMEB-RHSMWYFYSA-N 2 1 346.475 1.767 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000248898442 535764007 /nfs/dbraw/zinc/76/40/07/535764007.db2.gz YGZYRYFLDHJMSU-MSOLQXFVSA-N 2 1 327.428 1.677 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000248898442 535764010 /nfs/dbraw/zinc/76/40/10/535764010.db2.gz YGZYRYFLDHJMSU-MSOLQXFVSA-N 2 1 327.428 1.677 20 0 EDADMP CC[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246243892 536159218 /nfs/dbraw/zinc/15/92/18/536159218.db2.gz JAVPGTREFFPWPJ-CEXWTWQISA-N 2 1 345.487 1.924 20 0 EDADMP CC[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246243892 536159223 /nfs/dbraw/zinc/15/92/23/536159223.db2.gz JAVPGTREFFPWPJ-CEXWTWQISA-N 2 1 345.487 1.924 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)CC1 ZINC000346708930 536401910 /nfs/dbraw/zinc/40/19/10/536401910.db2.gz SHRXYHYWFCFMOY-SCTDSRPQSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)CC1 ZINC000346708930 536401911 /nfs/dbraw/zinc/40/19/11/536401911.db2.gz SHRXYHYWFCFMOY-SCTDSRPQSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C3([NH3+])CCCCC3)cc2)CC1 ZINC000237199992 536406412 /nfs/dbraw/zinc/40/64/12/536406412.db2.gz AAXCJTIXEPSEEL-UHFFFAOYSA-N 2 1 344.459 1.674 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000245972735 536471376 /nfs/dbraw/zinc/47/13/76/536471376.db2.gz OGUHHIBBWOGXGB-DLBZAZTESA-N 2 1 338.496 1.225 20 0 EDADMP COc1cc(C)nc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000262177787 536689572 /nfs/dbraw/zinc/68/95/72/536689572.db2.gz IKXMSZIGIFWQPD-MAUKXSAKSA-N 2 1 346.475 1.479 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000079491358 536784245 /nfs/dbraw/zinc/78/42/45/536784245.db2.gz GOKTVCMIXFILRI-UHFFFAOYSA-N 2 1 348.491 1.482 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000079491358 536784253 /nfs/dbraw/zinc/78/42/53/536784253.db2.gz GOKTVCMIXFILRI-UHFFFAOYSA-N 2 1 348.491 1.482 20 0 EDADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[NH+]1CCOCC1 ZINC000742949323 579466052 /nfs/dbraw/zinc/46/60/52/579466052.db2.gz OIUGWYMSAUMFOQ-IBGZPJMESA-N 2 1 345.487 1.689 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[NH+]1CCOCC1 ZINC000742949323 579466053 /nfs/dbraw/zinc/46/60/53/579466053.db2.gz OIUGWYMSAUMFOQ-IBGZPJMESA-N 2 1 345.487 1.689 20 0 EDADMP CC[NH+](CC)C[C@H]1CCN(C(=S)NCCC[NH+]2CCOCC2)C1 ZINC000743022044 579468217 /nfs/dbraw/zinc/46/82/17/579468217.db2.gz MQKGXPKLTTZPDJ-MRXNPFEDSA-N 2 1 342.553 1.247 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=S)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000727068445 578512956 /nfs/dbraw/zinc/51/29/56/578512956.db2.gz GMDWNYNOJHAWOS-OAHLLOKOSA-N 2 1 342.553 1.245 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729683389 578587374 /nfs/dbraw/zinc/58/73/74/578587374.db2.gz MCQLPKZVDOMTJE-XHSDSOJGSA-N 2 1 339.480 1.839 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729683389 578587375 /nfs/dbraw/zinc/58/73/75/578587375.db2.gz MCQLPKZVDOMTJE-XHSDSOJGSA-N 2 1 339.480 1.839 20 0 EDADMP CCC[N@@H+](C)CC(=O)N1CCN(C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000735330649 578876708 /nfs/dbraw/zinc/87/67/08/578876708.db2.gz GQGCNFFAATWKDR-WMZOPIPTSA-N 2 1 333.476 1.595 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCn2cccn2)CC1 ZINC000747644640 579652052 /nfs/dbraw/zinc/65/20/52/579652052.db2.gz VIEMJRFWSNBTMH-UHFFFAOYSA-N 2 1 328.420 1.449 20 0 EDADMP C[NH+](C)CCCNC(=S)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000749006780 579709903 /nfs/dbraw/zinc/70/99/03/579709903.db2.gz XGGFBSSOPAYLEO-UHFFFAOYSA-N 2 1 326.485 1.673 20 0 EDADMP CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000750287174 579758403 /nfs/dbraw/zinc/75/84/03/579758403.db2.gz AFAXKMBLUSOBNT-HZPDHXFCSA-N 2 1 341.496 1.680 20 0 EDADMP CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000750287174 579758405 /nfs/dbraw/zinc/75/84/05/579758405.db2.gz AFAXKMBLUSOBNT-HZPDHXFCSA-N 2 1 341.496 1.680 20 0 EDADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000751360033 579802896 /nfs/dbraw/zinc/80/28/96/579802896.db2.gz ZMPLAAJOSPDDNA-FUHWJXTLSA-N 2 1 331.460 1.660 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000751360033 579802898 /nfs/dbraw/zinc/80/28/98/579802898.db2.gz ZMPLAAJOSPDDNA-FUHWJXTLSA-N 2 1 331.460 1.660 20 0 EDADMP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000763058089 580091354 /nfs/dbraw/zinc/09/13/54/580091354.db2.gz XPXWHBXUOFTIGD-AEFFLSMTSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000763058089 580091355 /nfs/dbraw/zinc/09/13/55/580091355.db2.gz XPXWHBXUOFTIGD-AEFFLSMTSA-N 2 1 345.487 1.876 20 0 EDADMP C[NH+]1CCC(NC(=S)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000763137340 580093776 /nfs/dbraw/zinc/09/37/76/580093776.db2.gz HEZFPVCNBXFVFA-JKSUJKDBSA-N 2 1 340.537 1.188 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NCCC(C)(C)C)C1 ZINC000779654193 580493428 /nfs/dbraw/zinc/49/34/28/580493428.db2.gz ZGDZJABDAHCZRX-ZDUSSCGKSA-N 2 1 328.457 1.146 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NCCC(C)(C)C)C1 ZINC000779654193 580493429 /nfs/dbraw/zinc/49/34/29/580493429.db2.gz ZGDZJABDAHCZRX-ZDUSSCGKSA-N 2 1 328.457 1.146 20 0 EDADMP O=C1O[C@@]2(CN1C[NH+]1CCC3(CCOCC3)CC1)C[NH+]1CCC2CC1 ZINC000789528995 580748662 /nfs/dbraw/zinc/74/86/62/580748662.db2.gz HGYJPUPLGNLGKW-LJQANCHMSA-N 2 1 349.475 1.753 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795939609 580941760 /nfs/dbraw/zinc/94/17/60/580941760.db2.gz SJUDLKZXIGGWLX-QGZVFWFLSA-N 2 1 326.481 1.746 20 0 EDADMP Cn1c(Cl)cnc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000799336739 581025810 /nfs/dbraw/zinc/02/58/10/581025810.db2.gz NZXCYZVYRPNKRG-UHFFFAOYSA-N 2 1 348.882 1.770 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1c1nccc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000893079514 590650831 /nfs/dbraw/zinc/65/08/31/590650831.db2.gz IZFRZDMUEGXRTL-FXUDXRNXSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nccc(N2C[C@@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000893079514 590650836 /nfs/dbraw/zinc/65/08/36/590650836.db2.gz IZFRZDMUEGXRTL-FXUDXRNXSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nccc(N2C[C@@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000893079514 590650839 /nfs/dbraw/zinc/65/08/39/590650839.db2.gz IZFRZDMUEGXRTL-FXUDXRNXSA-N 2 1 332.496 1.534 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)c1ccnc(N(C)CC[NH+](C)C2CC2)n1 ZINC000893228351 590721836 /nfs/dbraw/zinc/72/18/36/590721836.db2.gz IDDZNYOFBUZAFS-UHFFFAOYSA-N 2 1 332.496 1.537 20 0 EDADMP CN(CC[NH+](C)C1CC1)c1ccnc(N(C)CC[N@H+](C)C2CC2)n1 ZINC000893228351 590721837 /nfs/dbraw/zinc/72/18/37/590721837.db2.gz IDDZNYOFBUZAFS-UHFFFAOYSA-N 2 1 332.496 1.537 20 0 EDADMP CN(CC[NH+](C)C1CC1)c1ccnc(N(C)CC[N@@H+](C)C2CC2)n1 ZINC000893228351 590721838 /nfs/dbraw/zinc/72/18/38/590721838.db2.gz IDDZNYOFBUZAFS-UHFFFAOYSA-N 2 1 332.496 1.537 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000892083187 590790454 /nfs/dbraw/zinc/79/04/54/590790454.db2.gz RRDMWPWCBDITOP-CGTJXYLNSA-N 2 1 330.476 1.806 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1)Cc1ccc(F)cc1 ZINC000893432557 590866747 /nfs/dbraw/zinc/86/67/47/590866747.db2.gz ZFBQCURHPJYZSM-QFBILLFUSA-N 2 1 348.466 1.851 20 0 EDADMP C[NH+](CCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)Cc1ccc(F)cc1 ZINC000893432557 590866751 /nfs/dbraw/zinc/86/67/51/590866751.db2.gz ZFBQCURHPJYZSM-QFBILLFUSA-N 2 1 348.466 1.851 20 0 EDADMP C[NH+](CCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)Cc1ccc(F)cc1 ZINC000893432557 590866755 /nfs/dbraw/zinc/86/67/55/590866755.db2.gz ZFBQCURHPJYZSM-QFBILLFUSA-N 2 1 348.466 1.851 20 0 EDADMP C[C@H](CNC(=O)N(C)C1(C[NH3+])CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892233303 590878379 /nfs/dbraw/zinc/87/83/79/590878379.db2.gz WGRREVLENZOAPO-OAGGEKHMSA-N 2 1 340.512 1.787 20 0 EDADMP C[C@H](CNC(=O)N(C)C1(C[NH3+])CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892233303 590878381 /nfs/dbraw/zinc/87/83/81/590878381.db2.gz WGRREVLENZOAPO-OAGGEKHMSA-N 2 1 340.512 1.787 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000892306826 590928394 /nfs/dbraw/zinc/92/83/94/590928394.db2.gz HJHSLQRQEPSGEX-UOVPBQLFSA-N 2 1 330.476 1.804 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000891356889 591057655 /nfs/dbraw/zinc/05/76/55/591057655.db2.gz UZDXDTDXMJRZJP-MJQMVNBJSA-N 2 1 336.524 1.995 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000891360258 591059695 /nfs/dbraw/zinc/05/96/95/591059695.db2.gz HUIFGEVQBHYNSA-ZACQAIPSSA-N 2 1 345.491 1.234 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1C(F)(F)F ZINC000891365714 591062423 /nfs/dbraw/zinc/06/24/23/591062423.db2.gz NOTOPVHQOWXXOL-NQBHXWOUSA-N 2 1 334.386 1.249 20 0 EDADMP CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1C)[C@H]1CC[NH2+]C1 ZINC000891407571 591068618 /nfs/dbraw/zinc/06/86/18/591068618.db2.gz TYTPHAZXHBLNQX-HNNXBMFYSA-N 2 1 328.420 1.469 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C3CCS(=O)CC3)cc2)CC1 ZINC000892582788 591081190 /nfs/dbraw/zinc/08/11/90/591081190.db2.gz LUVNFEYICPZMSB-UHFFFAOYSA-N 2 1 349.500 1.075 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000891597495 591141879 /nfs/dbraw/zinc/14/18/79/591141879.db2.gz IUUCTOCOTXTDPG-MRXNPFEDSA-N 2 1 342.528 1.572 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21)Cc1ccccc1 ZINC000891626677 591156000 /nfs/dbraw/zinc/15/60/00/591156000.db2.gz MTOXFGAYPXPKGD-ROUUACIJSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000891626677 591156003 /nfs/dbraw/zinc/15/60/03/591156003.db2.gz MTOXFGAYPXPKGD-ROUUACIJSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000891626677 591156007 /nfs/dbraw/zinc/15/60/07/591156007.db2.gz MTOXFGAYPXPKGD-ROUUACIJSA-N 2 1 330.476 1.854 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000891740300 591205729 /nfs/dbraw/zinc/20/57/29/591205729.db2.gz UCNUZKCKMTXOSL-INIZCTEOSA-N 2 1 342.528 1.572 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000895665585 591246026 /nfs/dbraw/zinc/24/60/26/591246026.db2.gz DIWKWZQSNIXRMO-GVDBMIGSSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000895665585 591246030 /nfs/dbraw/zinc/24/60/30/591246030.db2.gz DIWKWZQSNIXRMO-GVDBMIGSSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000895665585 591246031 /nfs/dbraw/zinc/24/60/31/591246031.db2.gz DIWKWZQSNIXRMO-GVDBMIGSSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000895665585 591246035 /nfs/dbraw/zinc/24/60/35/591246035.db2.gz DIWKWZQSNIXRMO-GVDBMIGSSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000895665585 591246037 /nfs/dbraw/zinc/24/60/37/591246037.db2.gz DIWKWZQSNIXRMO-GVDBMIGSSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@H]1[C@H](Nc2nc3ccccc3nc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000895737430 591265024 /nfs/dbraw/zinc/26/50/24/591265024.db2.gz UPPYKZZWMMUNAL-LSDHHAIUSA-N 2 1 340.475 1.886 20 0 EDADMP C[C@H]1[C@H](Nc2nc3ccccc3nc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000895737430 591265026 /nfs/dbraw/zinc/26/50/26/591265026.db2.gz UPPYKZZWMMUNAL-LSDHHAIUSA-N 2 1 340.475 1.886 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc2[nH]c(=O)oc21 ZINC000894454545 591315002 /nfs/dbraw/zinc/31/50/02/591315002.db2.gz WLXAUOAHYZJBPN-UHFFFAOYSA-N 2 1 332.448 1.991 20 0 EDADMP CN(CC[N@H+](C)Cc1cccc2[nH]c(=O)oc21)C1CC[NH+](C)CC1 ZINC000894454545 591315007 /nfs/dbraw/zinc/31/50/07/591315007.db2.gz WLXAUOAHYZJBPN-UHFFFAOYSA-N 2 1 332.448 1.991 20 0 EDADMP CN(CC[N@@H+](C)Cc1cccc2[nH]c(=O)oc21)C1CC[NH+](C)CC1 ZINC000894454545 591315010 /nfs/dbraw/zinc/31/50/10/591315010.db2.gz WLXAUOAHYZJBPN-UHFFFAOYSA-N 2 1 332.448 1.991 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CC[NH+]3C3CCCCCC3)C[C@H]2C1 ZINC000896238391 591396858 /nfs/dbraw/zinc/39/68/58/591396858.db2.gz VJLQTYGTXIPPNF-JZXOWHBKSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCCCC3)C[C@H]2C1 ZINC000896238391 591396860 /nfs/dbraw/zinc/39/68/60/591396860.db2.gz VJLQTYGTXIPPNF-JZXOWHBKSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@@H]3CC[N@H+]3C3CCCCCC3)C[C@H]2C1 ZINC000896238391 591396864 /nfs/dbraw/zinc/39/68/64/591396864.db2.gz VJLQTYGTXIPPNF-JZXOWHBKSA-N 2 1 334.508 1.987 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894764309 591413655 /nfs/dbraw/zinc/41/36/55/591413655.db2.gz GZNSQTJPCBUQAX-ILXRZTDVSA-N 2 1 347.450 1.389 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CCOCC2)CC1)[C@H]1CCSC1 ZINC000898634087 591455172 /nfs/dbraw/zinc/45/51/72/591455172.db2.gz GVNXMSGJOOJWOW-INIZCTEOSA-N 2 1 341.521 1.183 20 0 EDADMP C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896539365 591501895 /nfs/dbraw/zinc/50/18/95/591501895.db2.gz NGYOBAHJJIUYSF-MAUKXSAKSA-N 2 1 332.492 1.155 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000897518872 591520058 /nfs/dbraw/zinc/52/00/58/591520058.db2.gz MYIKUIARMJGVEC-JKSUJKDBSA-N 2 1 331.464 1.786 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@H]1CCCC[N@@H+](C)C1)CCO2 ZINC000897557976 591554079 /nfs/dbraw/zinc/55/40/79/591554079.db2.gz VEBVZBYKAVUAKG-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000897649599 591604236 /nfs/dbraw/zinc/60/42/36/591604236.db2.gz JMTODUCQOBGUJL-QKPAOTATSA-N 2 1 339.480 1.837 20 0 EDADMP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897649599 591604239 /nfs/dbraw/zinc/60/42/39/591604239.db2.gz JMTODUCQOBGUJL-QKPAOTATSA-N 2 1 339.480 1.837 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896828006 591622766 /nfs/dbraw/zinc/62/27/66/591622766.db2.gz SKZPWUDLOYNSPD-INIZCTEOSA-N 2 1 325.497 1.865 20 0 EDADMP CCO[C@@H](C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+](C)C ZINC000896879953 591645389 /nfs/dbraw/zinc/64/53/89/591645389.db2.gz JIUFVJXFAMYXML-ZBFHGGJFSA-N 2 1 342.505 1.750 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000899201567 591728203 /nfs/dbraw/zinc/72/82/03/591728203.db2.gz XADATXATFTXMSO-MRXNPFEDSA-N 2 1 334.464 1.766 20 0 EDADMP Cn1cc([C@]2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCCO2)cn1 ZINC000898052681 591755843 /nfs/dbraw/zinc/75/58/43/591755843.db2.gz KDUVTZBEGRCWMD-RBUKOAKNSA-N 2 1 348.491 1.659 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1cnn(C)c1 ZINC000899463426 591813230 /nfs/dbraw/zinc/81/32/30/591813230.db2.gz DZZHEEDVMRRYJP-OAHLLOKOSA-N 2 1 338.525 1.465 20 0 EDADMP CCC[NH+]1CCC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000899988803 591857263 /nfs/dbraw/zinc/85/72/63/591857263.db2.gz SXLGUWGBEAKOPJ-UHFFFAOYSA-N 2 1 338.540 1.783 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000899601360 591866524 /nfs/dbraw/zinc/86/65/24/591866524.db2.gz LVZVBOQMAMTNPB-JKSUJKDBSA-N 2 1 340.537 1.188 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000899601360 591866527 /nfs/dbraw/zinc/86/65/27/591866527.db2.gz LVZVBOQMAMTNPB-JKSUJKDBSA-N 2 1 340.537 1.188 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000899601360 591866529 /nfs/dbraw/zinc/86/65/29/591866529.db2.gz LVZVBOQMAMTNPB-JKSUJKDBSA-N 2 1 340.537 1.188 20 0 EDADMP O=c1ccn(CCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]1 ZINC000898331746 591874165 /nfs/dbraw/zinc/87/41/65/591874165.db2.gz GHLZTNJHZHFGHC-UHFFFAOYSA-N 2 1 342.443 1.593 20 0 EDADMP CN1C[C@H](O)C[C@@]1(C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000900137956 591915128 /nfs/dbraw/zinc/91/51/28/591915128.db2.gz CJLGWDGHXDHJMD-XLIONFOSSA-N 2 1 345.487 1.395 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000900137956 591915131 /nfs/dbraw/zinc/91/51/31/591915131.db2.gz CJLGWDGHXDHJMD-XLIONFOSSA-N 2 1 345.487 1.395 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000900137956 591915133 /nfs/dbraw/zinc/91/51/33/591915133.db2.gz CJLGWDGHXDHJMD-XLIONFOSSA-N 2 1 345.487 1.395 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000900137956 591915137 /nfs/dbraw/zinc/91/51/37/591915137.db2.gz CJLGWDGHXDHJMD-XLIONFOSSA-N 2 1 345.487 1.395 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C(=O)[C@@H]3C[C@]3(c3ccccc3)C2=O)CC1 ZINC000902137488 591919348 /nfs/dbraw/zinc/91/93/48/591919348.db2.gz ATGTZVYRPCOONW-FXAWDEMLSA-N 2 1 341.455 1.544 20 0 EDADMP C[N@@H+](CCO)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000899737875 591926139 /nfs/dbraw/zinc/92/61/39/591926139.db2.gz RRLGGQZUZVLPJZ-UHFFFAOYSA-N 2 1 333.476 1.329 20 0 EDADMP C[NH+](C)CCOC1CC[NH+](CN2C[C@@H]([C@@H]3CCCO3)CC2=O)CC1 ZINC000902145303 591927818 /nfs/dbraw/zinc/92/78/18/591927818.db2.gz BWMIXUUOVAAHDZ-RDJZCZTQSA-N 2 1 339.480 1.014 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900182804 591932196 /nfs/dbraw/zinc/93/21/96/591932196.db2.gz MTEDJRQSBMRVGF-AZUAARDMSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000900182804 591932197 /nfs/dbraw/zinc/93/21/97/591932197.db2.gz MTEDJRQSBMRVGF-AZUAARDMSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000900182804 591932198 /nfs/dbraw/zinc/93/21/98/591932198.db2.gz MTEDJRQSBMRVGF-AZUAARDMSA-N 2 1 345.487 1.484 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000900262450 591964912 /nfs/dbraw/zinc/96/49/12/591964912.db2.gz BUVZWWBEGOVYLM-IBGZPJMESA-N 2 1 346.475 1.009 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1cc(OC)c(=O)cc1C ZINC000902345811 591977880 /nfs/dbraw/zinc/97/78/80/591977880.db2.gz LVONRLNAYHFCSP-UHFFFAOYSA-N 2 1 337.464 1.413 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000900373880 592000463 /nfs/dbraw/zinc/00/04/63/592000463.db2.gz ZZBMUFCMJIYTQE-UYAOXDASSA-N 2 1 345.487 1.470 20 0 EDADMP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000900412357 592011302 /nfs/dbraw/zinc/01/13/02/592011302.db2.gz RVJNJKBYUXXFAN-ABHNRTSZSA-N 2 1 335.492 1.574 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cn(C)nn1 ZINC000902793096 592064956 /nfs/dbraw/zinc/06/49/56/592064956.db2.gz FNRGCVMLEYURGK-CQSZACIVSA-N 2 1 329.448 1.623 20 0 EDADMP CCCCc1noc([C@@H](C)ONC(=[NH2+])[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000902809603 592067669 /nfs/dbraw/zinc/06/76/69/592067669.db2.gz IRAMAWGITIIMLL-FRRDWIJNSA-N 2 1 337.424 1.835 20 0 EDADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)c1 ZINC000900651703 592081358 /nfs/dbraw/zinc/08/13/58/592081358.db2.gz IPLQGDCTKRQDDS-FQEVSTJZSA-N 2 1 347.503 1.990 20 0 EDADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1 ZINC000900651703 592081361 /nfs/dbraw/zinc/08/13/61/592081361.db2.gz IPLQGDCTKRQDDS-FQEVSTJZSA-N 2 1 347.503 1.990 20 0 EDADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c1 ZINC000900651703 592081363 /nfs/dbraw/zinc/08/13/63/592081363.db2.gz IPLQGDCTKRQDDS-FQEVSTJZSA-N 2 1 347.503 1.990 20 0 EDADMP CC[C@H](CN1CCOCC1)NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000902939924 592088114 /nfs/dbraw/zinc/08/81/14/592088114.db2.gz KXPRSOAMCJRZRV-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCO[C@]34CCOC4)cc2)C1 ZINC000903200399 592134367 /nfs/dbraw/zinc/13/43/67/592134367.db2.gz RRODTWPPVCYLPG-QYZOEREBSA-N 2 1 332.444 1.291 20 0 EDADMP CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903206947 592137995 /nfs/dbraw/zinc/13/79/95/592137995.db2.gz NRLLBLOAXHGFKI-SXLMRFEMSA-N 2 1 341.521 1.594 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900867708 592162072 /nfs/dbraw/zinc/16/20/72/592162072.db2.gz CBCUVNOUVYZJPD-ZIFCJYIRSA-N 2 1 331.460 1.174 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900867708 592162073 /nfs/dbraw/zinc/16/20/73/592162073.db2.gz CBCUVNOUVYZJPD-ZIFCJYIRSA-N 2 1 331.460 1.174 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900867708 592162074 /nfs/dbraw/zinc/16/20/74/592162074.db2.gz CBCUVNOUVYZJPD-ZIFCJYIRSA-N 2 1 331.460 1.174 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903452719 592173706 /nfs/dbraw/zinc/17/37/06/592173706.db2.gz RNZCANWZDOSAAM-HNNXBMFYSA-N 2 1 345.443 1.503 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCOCCN1C(=O)c2ccccc2C1=O ZINC000903454763 592174321 /nfs/dbraw/zinc/17/43/21/592174321.db2.gz IYMUBYGLFBRMTI-CPUCHLNUSA-N 2 1 345.443 1.275 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(-c3ccco3)on1)C2 ZINC000903492974 592185743 /nfs/dbraw/zinc/18/57/43/592185743.db2.gz SPVNDTVWDHZLAV-JKDFXYPNSA-N 2 1 331.372 1.647 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000900981499 592189089 /nfs/dbraw/zinc/18/90/89/592189089.db2.gz SQVSBNBDZZEZKI-OWCLPIDISA-N 2 1 325.497 1.865 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000900981499 592189091 /nfs/dbraw/zinc/18/90/91/592189091.db2.gz SQVSBNBDZZEZKI-OWCLPIDISA-N 2 1 325.497 1.865 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000900981499 592189093 /nfs/dbraw/zinc/18/90/93/592189093.db2.gz SQVSBNBDZZEZKI-OWCLPIDISA-N 2 1 325.497 1.865 20 0 EDADMP COCc1nc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cs1 ZINC000903508891 592189445 /nfs/dbraw/zinc/18/94/45/592189445.db2.gz YSCTYPDSWRLSFE-IYBDPMFKSA-N 2 1 336.505 1.690 20 0 EDADMP C[C@H]1CCCCN1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511148 592191047 /nfs/dbraw/zinc/19/10/47/592191047.db2.gz QKTJDZZHZQYESE-RYQLBKOJSA-N 2 1 334.508 1.288 20 0 EDADMP CCCCCCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511457 592191177 /nfs/dbraw/zinc/19/11/77/592191177.db2.gz ULFCRNYNUUFIRT-HDICACEKSA-N 2 1 336.524 1.584 20 0 EDADMP COC(=O)c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903506997 592198797 /nfs/dbraw/zinc/19/87/97/592198797.db2.gz ITNJHVQMANYRFI-KDURUIRLSA-N 2 1 343.471 1.874 20 0 EDADMP C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904336061 592233346 /nfs/dbraw/zinc/23/33/46/592233346.db2.gz MCFMRYBXIGPQPN-OKILXGFUSA-N 2 1 326.462 1.528 20 0 EDADMP Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)cc1C ZINC000904334269 592233715 /nfs/dbraw/zinc/23/37/15/592233715.db2.gz QRLCDJQHFVINSD-IYBDPMFKSA-N 2 1 337.489 1.347 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416932 592252675 /nfs/dbraw/zinc/25/26/75/592252675.db2.gz UJESUHNUMOWFKH-AEFFLSMTSA-N 2 1 346.523 1.804 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cnn1C ZINC000904473875 592268307 /nfs/dbraw/zinc/26/83/07/592268307.db2.gz UXIIVQVZCIEMBH-FGTMMUONSA-N 2 1 334.508 1.985 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000904511564 592274467 /nfs/dbraw/zinc/27/44/67/592274467.db2.gz SLTIIIRHHIFQFZ-IAGOWNOFSA-N 2 1 332.448 1.469 20 0 EDADMP O=C(c1ccsc1)N1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903722568 592283496 /nfs/dbraw/zinc/28/34/96/592283496.db2.gz MYTBLCDHYQABRK-FUHWJXTLSA-N 2 1 349.500 1.665 20 0 EDADMP c1nn(-c2ccccc2)c2c1C[N@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903733190 592291753 /nfs/dbraw/zinc/29/17/53/592291753.db2.gz IUKFOWFDCGMZHL-UYAOXDASSA-N 2 1 338.455 1.999 20 0 EDADMP c1nn(-c2ccccc2)c2c1C[N@@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903733190 592291756 /nfs/dbraw/zinc/29/17/56/592291756.db2.gz IUKFOWFDCGMZHL-UYAOXDASSA-N 2 1 338.455 1.999 20 0 EDADMP c1ccc(CCN2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903734048 592297606 /nfs/dbraw/zinc/29/76/06/592297606.db2.gz UDCPVGDNHOHVHQ-UXHICEINSA-N 2 1 329.488 1.615 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCOC)[C@H](CC)C2)C1 ZINC000906733558 592300999 /nfs/dbraw/zinc/30/09/99/592300999.db2.gz MVLKQFMTXISUGQ-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)C1 ZINC000906733558 592301001 /nfs/dbraw/zinc/30/10/01/592301001.db2.gz MVLKQFMTXISUGQ-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@@H+](CCOC)[C@H](CC)C2)C1 ZINC000906733558 592301004 /nfs/dbraw/zinc/30/10/04/592301004.db2.gz MVLKQFMTXISUGQ-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP N[C@]1(c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)C[C@@H]1c1ccccc1 ZINC000904640003 592301937 /nfs/dbraw/zinc/30/19/37/592301937.db2.gz XIWIBQPNIPQMJW-JTOWHCCKSA-N 2 1 326.400 1.947 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC[C@H]1C(F)(F)F ZINC000903770857 592310822 /nfs/dbraw/zinc/31/08/22/592310822.db2.gz ZOLXECVOEAJZKL-MGPQQGTHSA-N 3 1 335.414 1.604 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC[C@H]1C(F)(F)F ZINC000903770857 592310823 /nfs/dbraw/zinc/31/08/23/592310823.db2.gz ZOLXECVOEAJZKL-MGPQQGTHSA-N 3 1 335.414 1.604 20 0 EDADMP CC(=O)N(C[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903755279 592313924 /nfs/dbraw/zinc/31/39/24/592313924.db2.gz DQNAWZJTAYHXOZ-ZWKOTPCHSA-N 2 1 335.492 1.620 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](C[C@H]3CCC[C@H](C(F)(F)F)O3)C2)nn1 ZINC000903778366 592319527 /nfs/dbraw/zinc/31/95/27/592319527.db2.gz LXKRIJQVCPPJGD-JHJVBQTASA-N 2 1 333.358 1.484 20 0 EDADMP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cn1 ZINC000903784684 592321927 /nfs/dbraw/zinc/32/19/27/592321927.db2.gz PYRXCIWBXUWGMX-WLFXSESQSA-N 2 1 330.476 1.899 20 0 EDADMP COc1ccc(C[N@@H+](CCCO)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903831355 592337216 /nfs/dbraw/zinc/33/72/16/592337216.db2.gz IRTAQTCNWYXJCC-OALUTQOASA-N 2 1 334.460 1.648 20 0 EDADMP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000903870792 592353700 /nfs/dbraw/zinc/35/37/00/592353700.db2.gz JOSWDSWADKSCJF-YNEHKIRRSA-N 2 1 340.411 1.428 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](C[C@H](C)O)[C@H](CC)C2)C1 ZINC000906827031 592355515 /nfs/dbraw/zinc/35/55/15/592355515.db2.gz PODXUHRYECUKSG-YESZJQIVSA-N 2 1 325.497 1.412 20 0 EDADMP CC[C@@H](O)C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903897922 592369663 /nfs/dbraw/zinc/36/96/63/592369663.db2.gz KOQXQIYRBWQVEY-IEBWSBKVSA-N 2 1 343.475 1.976 20 0 EDADMP CC[C@@H](O)C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903897922 592369668 /nfs/dbraw/zinc/36/96/68/592369668.db2.gz KOQXQIYRBWQVEY-IEBWSBKVSA-N 2 1 343.475 1.976 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000903933397 592385577 /nfs/dbraw/zinc/38/55/77/592385577.db2.gz QKNQEKBYQODDQA-LZLYRXPVSA-N 2 1 333.480 1.984 20 0 EDADMP COC(=O)[C@H](C)Oc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955624 592396113 /nfs/dbraw/zinc/39/61/13/592396113.db2.gz XSPQKKGTUSJDQD-GXTWGEPZSA-N 2 1 342.386 1.961 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cccc3c1OCCCO3)C2 ZINC000903978274 592399426 /nfs/dbraw/zinc/39/94/26/592399426.db2.gz CYDKUAXQWKFUKQ-KHYOSLBOSA-N 2 1 346.427 1.560 20 0 EDADMP Cn1ccc([C@@H]2CCC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903987397 592406109 /nfs/dbraw/zinc/40/61/09/592406109.db2.gz FKSDFTWUFDVFMJ-HUUCEWRRSA-N 2 1 329.452 1.316 20 0 EDADMP Cn1ccc([C@@H]2CCC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903987397 592406112 /nfs/dbraw/zinc/40/61/12/592406112.db2.gz FKSDFTWUFDVFMJ-HUUCEWRRSA-N 2 1 329.452 1.316 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905122150 592416768 /nfs/dbraw/zinc/41/67/68/592416768.db2.gz LJBAODLPHWPIJY-AHRSYUTCSA-N 2 1 348.487 1.704 20 0 EDADMP COCC[C@H]([NH3+])c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000904102932 592425880 /nfs/dbraw/zinc/42/58/80/592425880.db2.gz ICMQCVPQJRAPKO-AWEZNQCLSA-N 2 1 346.435 1.310 20 0 EDADMP COCC[C@H]([NH3+])c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000904102932 592425887 /nfs/dbraw/zinc/42/58/87/592425887.db2.gz ICMQCVPQJRAPKO-AWEZNQCLSA-N 2 1 346.435 1.310 20 0 EDADMP COCCCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC[NH+](C)CC1 ZINC000908293892 592434986 /nfs/dbraw/zinc/43/49/86/592434986.db2.gz KHSBKSGZHRQRMR-FUHWJXTLSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@@](O)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(F)(F)C(F)(F)F ZINC000905383651 592513778 /nfs/dbraw/zinc/51/37/78/592513778.db2.gz UROBUQQQHWOIFE-NWDGAFQWSA-N 2 1 346.340 1.778 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905399971 592521043 /nfs/dbraw/zinc/52/10/43/592521043.db2.gz ORJLWJOZWBALRK-GSEOLPGOSA-N 2 1 348.487 1.247 20 0 EDADMP C[N@@H+](CC(=O)N1CC[NH+](C)C2(CCCCC2)C1)[C@H]1CCSC1 ZINC000908573068 592544160 /nfs/dbraw/zinc/54/41/60/592544160.db2.gz MRJIHTWRBDVSNH-HNNXBMFYSA-N 2 1 325.522 1.901 20 0 EDADMP C[NH+](CC(=O)N1CC[N@H+](C)C2(CCCCC2)C1)[C@H]1CCSC1 ZINC000908573068 592544163 /nfs/dbraw/zinc/54/41/63/592544163.db2.gz MRJIHTWRBDVSNH-HNNXBMFYSA-N 2 1 325.522 1.901 20 0 EDADMP C[NH+](CC(=O)N1CC[N@@H+](C)C2(CCCCC2)C1)[C@H]1CCSC1 ZINC000908573068 592544165 /nfs/dbraw/zinc/54/41/65/592544165.db2.gz MRJIHTWRBDVSNH-HNNXBMFYSA-N 2 1 325.522 1.901 20 0 EDADMP CC(C)[NH2+]C1(CO)CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000908605318 592551356 /nfs/dbraw/zinc/55/13/56/592551356.db2.gz GFZRXIGGLZDSHY-UHFFFAOYSA-N 2 1 343.431 1.232 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000907397494 592626479 /nfs/dbraw/zinc/62/64/79/592626479.db2.gz BIZLHLFPDAIBTH-VQIMIIECSA-N 2 1 344.503 1.117 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907397494 592626482 /nfs/dbraw/zinc/62/64/82/592626482.db2.gz BIZLHLFPDAIBTH-VQIMIIECSA-N 2 1 344.503 1.117 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907397494 592626485 /nfs/dbraw/zinc/62/64/85/592626485.db2.gz BIZLHLFPDAIBTH-VQIMIIECSA-N 2 1 344.503 1.117 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)C[C@]3(O)CCOC3)C2)[nH+]1 ZINC000905926059 592685290 /nfs/dbraw/zinc/68/52/90/592685290.db2.gz VUIHCEDDGBYZCW-XYJFISCASA-N 2 1 335.448 1.026 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)C[C@]3(O)CCOC3)C2)[nH+]1 ZINC000905926059 592685292 /nfs/dbraw/zinc/68/52/92/592685292.db2.gz VUIHCEDDGBYZCW-XYJFISCASA-N 2 1 335.448 1.026 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C[C@@]1(O)CCOC1 ZINC000905911724 592691917 /nfs/dbraw/zinc/69/19/17/592691917.db2.gz ZGVQLTKFBSYILW-PMACEKPBSA-N 2 1 348.487 1.186 20 0 EDADMP CCOC(=O)[C@@H]1CCCN(CC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000909915004 592711674 /nfs/dbraw/zinc/71/16/74/592711674.db2.gz RETJDXBFJDYWEN-JKSUJKDBSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000909915004 592711675 /nfs/dbraw/zinc/71/16/75/592711675.db2.gz RETJDXBFJDYWEN-JKSUJKDBSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000909915004 592711678 /nfs/dbraw/zinc/71/16/78/592711678.db2.gz RETJDXBFJDYWEN-JKSUJKDBSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000909915004 592711681 /nfs/dbraw/zinc/71/16/81/592711681.db2.gz RETJDXBFJDYWEN-JKSUJKDBSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000909915004 592711683 /nfs/dbraw/zinc/71/16/83/592711683.db2.gz RETJDXBFJDYWEN-JKSUJKDBSA-N 2 1 339.480 1.110 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907569917 592714471 /nfs/dbraw/zinc/71/44/71/592714471.db2.gz GKTRXXWADVTTSH-QGZVFWFLSA-N 2 1 328.460 1.458 20 0 EDADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)C1CN(C)CC[N@@H+](C)C1)[NH+](C)C ZINC000907637943 592736697 /nfs/dbraw/zinc/73/66/97/592736697.db2.gz XJPIHDHUUBLAJH-QFBILLFUSA-N 2 1 346.519 1.596 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000906644978 592865789 /nfs/dbraw/zinc/86/57/89/592865789.db2.gz HSUVSYXCJVWOMB-CVEARBPZSA-N 2 1 344.459 1.562 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645829 592865851 /nfs/dbraw/zinc/86/58/51/592865851.db2.gz LMDJSKASMXASOD-ZIAGYGMSSA-N 2 1 332.448 1.320 20 0 EDADMP CC[C@H]1CN(C(=S)NCC(C)(C)C[NH+](C)C)CC[N@H+]1CCOC ZINC000735245323 592979601 /nfs/dbraw/zinc/97/96/01/592979601.db2.gz DGMJFQPBVZRKEA-HNNXBMFYSA-N 2 1 344.569 1.491 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000911925697 593034138 /nfs/dbraw/zinc/03/41/38/593034138.db2.gz LHZAGBCRAHXQBC-SJLPKXTDSA-N 2 1 326.400 1.641 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000911925697 593034139 /nfs/dbraw/zinc/03/41/39/593034139.db2.gz LHZAGBCRAHXQBC-SJLPKXTDSA-N 2 1 326.400 1.641 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000911925695 593034183 /nfs/dbraw/zinc/03/41/83/593034183.db2.gz LHZAGBCRAHXQBC-AEFFLSMTSA-N 2 1 326.400 1.641 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000911925695 593034185 /nfs/dbraw/zinc/03/41/85/593034185.db2.gz LHZAGBCRAHXQBC-AEFFLSMTSA-N 2 1 326.400 1.641 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736856689 593042412 /nfs/dbraw/zinc/04/24/12/593042412.db2.gz LTXSGAWVLZAKAL-QGZVFWFLSA-N 2 1 341.463 1.079 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736856689 593042414 /nfs/dbraw/zinc/04/24/14/593042414.db2.gz LTXSGAWVLZAKAL-QGZVFWFLSA-N 2 1 341.463 1.079 20 0 EDADMP CC(C)C[NH2+]C1(CO)CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000912589834 593106849 /nfs/dbraw/zinc/10/68/49/593106849.db2.gz IGKYJVDHLRESJI-HNNXBMFYSA-N 2 1 343.537 1.023 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000758326396 593400780 /nfs/dbraw/zinc/40/07/80/593400780.db2.gz ZQVBBZVHGGBIHY-FUHWJXTLSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000758326396 593400783 /nfs/dbraw/zinc/40/07/83/593400783.db2.gz ZQVBBZVHGGBIHY-FUHWJXTLSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H](CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C)[NH+]1CCCCC1 ZINC000812011351 593488475 /nfs/dbraw/zinc/48/84/75/593488475.db2.gz ZNAXIOPLLSZJFR-QGZVFWFLSA-N 2 1 341.544 1.386 20 0 EDADMP C[C@H](CNC(=O)N(C)CCCN(C)CC[NH+](C)C)[NH+]1CCCCC1 ZINC000812011351 593488476 /nfs/dbraw/zinc/48/84/76/593488476.db2.gz ZNAXIOPLLSZJFR-QGZVFWFLSA-N 2 1 341.544 1.386 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCCNC2=O)cc1 ZINC000812900450 593512292 /nfs/dbraw/zinc/51/22/92/593512292.db2.gz IWORPRAMZCELNZ-YJBOKZPZSA-N 2 1 346.475 1.714 20 0 EDADMP c1cc(C[NH+]2CCC3(CC2)OCCO3)ccc1C[NH+]1CCOCC1 ZINC000817274513 593586842 /nfs/dbraw/zinc/58/68/42/593586842.db2.gz MKTCCTAPGJVQDL-UHFFFAOYSA-N 2 1 332.444 1.858 20 0 EDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817888467 593645080 /nfs/dbraw/zinc/64/50/80/593645080.db2.gz GHGKDIMFHYSPNT-JQWIXIFHSA-N 2 1 343.415 1.136 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819059045 593736426 /nfs/dbraw/zinc/73/64/26/593736426.db2.gz BFUZNFMJRDPVRJ-HNNXBMFYSA-N 2 1 343.830 1.266 20 0 EDADMP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)CC1(C)OCCO1 ZINC000819097135 593738727 /nfs/dbraw/zinc/73/87/27/593738727.db2.gz XPPPGCBBYTXBCI-WMZOPIPTSA-N 2 1 336.476 1.858 20 0 EDADMP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC1(C)OCCO1 ZINC000819097135 593738728 /nfs/dbraw/zinc/73/87/28/593738728.db2.gz XPPPGCBBYTXBCI-WMZOPIPTSA-N 2 1 336.476 1.858 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@](C)(O)c1ccco1 ZINC000820074122 593788650 /nfs/dbraw/zinc/78/86/50/593788650.db2.gz GNOZRMMHYFDZGB-YOEHRIQHSA-N 2 1 340.468 1.058 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@](C)(O)c1ccco1 ZINC000820074122 593788651 /nfs/dbraw/zinc/78/86/51/593788651.db2.gz GNOZRMMHYFDZGB-YOEHRIQHSA-N 2 1 340.468 1.058 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC[N@@H+]1C ZINC000820296482 593807489 /nfs/dbraw/zinc/80/74/89/593807489.db2.gz VGNJPGNHQSGGGA-CYBMUJFWSA-N 2 1 345.447 1.080 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC[N@H+]1C ZINC000820296482 593807490 /nfs/dbraw/zinc/80/74/90/593807490.db2.gz VGNJPGNHQSGGGA-CYBMUJFWSA-N 2 1 345.447 1.080 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(C[NH+]2CCCCC2)o1 ZINC000821051844 593953912 /nfs/dbraw/zinc/95/39/12/593953912.db2.gz HRYBMWDXDQWRSK-INIZCTEOSA-N 2 1 349.475 1.842 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821087463 593962380 /nfs/dbraw/zinc/96/23/80/593962380.db2.gz BKDXDVKSINHWME-YOEHRIQHSA-N 2 1 344.463 1.564 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821087463 593962383 /nfs/dbraw/zinc/96/23/83/593962383.db2.gz BKDXDVKSINHWME-YOEHRIQHSA-N 2 1 344.463 1.564 20 0 EDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821087463 593962385 /nfs/dbraw/zinc/96/23/85/593962385.db2.gz BKDXDVKSINHWME-YOEHRIQHSA-N 2 1 344.463 1.564 20 0 EDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821087463 593962387 /nfs/dbraw/zinc/96/23/87/593962387.db2.gz BKDXDVKSINHWME-YOEHRIQHSA-N 2 1 344.463 1.564 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000840453506 594005208 /nfs/dbraw/zinc/00/52/08/594005208.db2.gz PSSFPKQRXDKKSJ-RHSMWYFYSA-N 2 1 329.460 1.162 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]([NH3+])C3CC3)cc2)C1 ZINC000828139306 594350132 /nfs/dbraw/zinc/35/01/32/594350132.db2.gz PNSBOJZKRDAEGA-DOTOQJQBSA-N 2 1 344.459 1.450 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000826678767 594553258 /nfs/dbraw/zinc/55/32/58/594553258.db2.gz ITJOBRFOROTUGZ-IAGOWNOFSA-N 2 1 337.508 1.961 20 0 EDADMP CCO[C@@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)C[NH+](C)C ZINC000831730455 594697089 /nfs/dbraw/zinc/69/70/89/594697089.db2.gz CQDDWYHDUVSIDZ-SFHVURJKSA-N 2 1 333.476 1.518 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cn1 ZINC000831817986 594705134 /nfs/dbraw/zinc/70/51/34/594705134.db2.gz HLZYSLKGHHLTCR-LBPRGKRZSA-N 2 1 337.387 1.628 20 0 EDADMP C[NH+](C)[C@H](CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000841385525 594891016 /nfs/dbraw/zinc/89/10/16/594891016.db2.gz CZQNWIXCOJUJBX-KZNAEPCWSA-N 2 1 331.460 1.659 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000841678017 594934664 /nfs/dbraw/zinc/93/46/64/594934664.db2.gz ZAVZNZYELRDRKT-INIZCTEOSA-N 2 1 338.496 1.128 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000841791417 594954038 /nfs/dbraw/zinc/95/40/38/594954038.db2.gz WQGVIRPIEDYVNI-JZXOWHBKSA-N 2 1 344.459 1.036 20 0 EDADMP Cc1cc(C)c(N2CC[C@@H]([NH+]3CCC(O)(C[NH3+])CC3)C2=O)c(C)c1 ZINC000842480622 595116892 /nfs/dbraw/zinc/11/68/92/595116892.db2.gz VHSGXFILAIUFLV-MRXNPFEDSA-N 2 1 331.460 1.503 20 0 EDADMP c1ccc(C[NH+]2CCN(Cc3nc([C@@H]4CCC[NH2+]C4)no3)CC2)cc1 ZINC000842663716 595164384 /nfs/dbraw/zinc/16/43/84/595164384.db2.gz HMIRIZRNOCELJA-QGZVFWFLSA-N 2 1 341.459 1.854 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC(C)(C)C[NH+](C)C ZINC000837804057 595200003 /nfs/dbraw/zinc/20/00/03/595200003.db2.gz FZIQUBFXQOFPJY-UHFFFAOYSA-N 2 1 330.436 1.715 20 0 EDADMP CCS(=O)(=O)CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000843096994 595286946 /nfs/dbraw/zinc/28/69/46/595286946.db2.gz VNGHUGBYFZQGSV-QGZVFWFLSA-N 2 1 340.489 1.168 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844170129 595290102 /nfs/dbraw/zinc/29/01/02/595290102.db2.gz GKGIVFXEOXVHMN-QGZVFWFLSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844175142 595292457 /nfs/dbraw/zinc/29/24/57/595292457.db2.gz BEAGJSVOEBBUBK-BPQIPLTHSA-N 2 1 331.460 1.707 20 0 EDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846708893 595305145 /nfs/dbraw/zinc/30/51/45/595305145.db2.gz XLGUHUMVWXOFIU-JKSUJKDBSA-N 2 1 346.475 1.663 20 0 EDADMP COCC[N@H+]1[C@H](C)CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000848237862 595344322 /nfs/dbraw/zinc/34/43/22/595344322.db2.gz KOEGPXJJSJJJSI-CALCHBBNSA-N 2 1 347.503 1.972 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000848237862 595344325 /nfs/dbraw/zinc/34/43/25/595344325.db2.gz KOEGPXJJSJJJSI-CALCHBBNSA-N 2 1 347.503 1.972 20 0 EDADMP CC[N@H+](CCNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000847308327 595392744 /nfs/dbraw/zinc/39/27/44/595392744.db2.gz YSHKIDGCDVOFGO-OAGGEKHMSA-N 2 1 328.501 1.514 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000847308327 595392746 /nfs/dbraw/zinc/39/27/46/595392746.db2.gz YSHKIDGCDVOFGO-OAGGEKHMSA-N 2 1 328.501 1.514 20 0 EDADMP CC[NH+](CCNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000847308327 595392748 /nfs/dbraw/zinc/39/27/48/595392748.db2.gz YSHKIDGCDVOFGO-OAGGEKHMSA-N 2 1 328.501 1.514 20 0 EDADMP CC[NH+](CCNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000847308327 595392750 /nfs/dbraw/zinc/39/27/50/595392750.db2.gz YSHKIDGCDVOFGO-OAGGEKHMSA-N 2 1 328.501 1.514 20 0 EDADMP [NH2+]=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCCCC1 ZINC000849073257 595478177 /nfs/dbraw/zinc/47/81/77/595478177.db2.gz ACMWDIQTUPBLAO-UHFFFAOYSA-N 2 1 330.480 1.604 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000849085543 595479842 /nfs/dbraw/zinc/47/98/42/595479842.db2.gz SDCARNXRZVSMPW-AWEZNQCLSA-N 2 1 346.353 1.266 20 0 EDADMP C[C@@H]1CN(C(=[NH2+])NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CCO1 ZINC000849094701 595480649 /nfs/dbraw/zinc/48/06/49/595480649.db2.gz QGVZYHXLAOBWJN-MRXNPFEDSA-N 2 1 345.491 1.179 20 0 EDADMP C[C@@H]1CN(C(=[NH2+])NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000849094312 595480724 /nfs/dbraw/zinc/48/07/24/595480724.db2.gz FDXQNSPSGXXZTC-SJLPKXTDSA-N 2 1 330.476 1.796 20 0 EDADMP CNC(=[NH2+])NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000849110185 595483396 /nfs/dbraw/zinc/48/33/96/595483396.db2.gz VBIYZSNXMSOJAO-UHFFFAOYSA-N 2 1 331.464 1.102 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(S(C)(=O)=O)c1 ZINC000849115086 595484156 /nfs/dbraw/zinc/48/41/56/595484156.db2.gz DXHGCAKDABOZPA-CQSZACIVSA-N 2 1 338.477 1.188 20 0 EDADMP COCCS(=O)(=O)CCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852753549 595526911 /nfs/dbraw/zinc/52/69/11/595526911.db2.gz DMIMLBWTFMTESI-INIZCTEOSA-N 2 1 332.510 1.149 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849481346 595546683 /nfs/dbraw/zinc/54/66/83/595546683.db2.gz KMKWHNZNWFRDTR-QZTJIDSGSA-N 2 1 347.507 1.256 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000849482433 595547235 /nfs/dbraw/zinc/54/72/35/595547235.db2.gz BHEBAYOWHIDBLD-CVEARBPZSA-N 2 1 335.496 1.159 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)C[NH+]1CCCC1 ZINC000849501801 595552816 /nfs/dbraw/zinc/55/28/16/595552816.db2.gz AUOGJSBCWSJNQX-BPQIPLTHSA-N 2 1 347.507 1.304 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C[N@H+]1C1CC1 ZINC000849559311 595567772 /nfs/dbraw/zinc/56/77/72/595567772.db2.gz TUNRUQRJUWSXMR-AETAKHFUSA-N 2 1 345.491 1.197 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C[NH+]1C1CC1 ZINC000849559311 595567774 /nfs/dbraw/zinc/56/77/74/595567774.db2.gz TUNRUQRJUWSXMR-AETAKHFUSA-N 2 1 345.491 1.197 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C[NH+]1C1CC1 ZINC000849559311 595567776 /nfs/dbraw/zinc/56/77/76/595567776.db2.gz TUNRUQRJUWSXMR-AETAKHFUSA-N 2 1 345.491 1.197 20 0 EDADMP C[C@@H](NC(=O)C=C1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000852869429 595589236 /nfs/dbraw/zinc/58/92/36/595589236.db2.gz AOVUPDLCAZVGMA-VQIMIIECSA-N 2 1 343.471 1.702 20 0 EDADMP C[C@@H](NC(=O)C=C1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000852869429 595589239 /nfs/dbraw/zinc/58/92/39/595589239.db2.gz AOVUPDLCAZVGMA-VQIMIIECSA-N 2 1 343.471 1.702 20 0 EDADMP O[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccn1 ZINC000853103674 595665600 /nfs/dbraw/zinc/66/56/00/595665600.db2.gz CRPXVESMIRMXDR-MJGOQNOKSA-N 2 1 327.428 1.471 20 0 EDADMP O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CC(F)(F)F ZINC000854222396 596006510 /nfs/dbraw/zinc/00/65/10/596006510.db2.gz FDKUMWLKXPNFLE-QJPTWQEYSA-N 2 1 328.400 1.474 20 0 EDADMP CCN1CC[C@H]([N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856583495 596020548 /nfs/dbraw/zinc/02/05/48/596020548.db2.gz IBZWUHAIHFWCBP-MSOLQXFVSA-N 2 1 346.475 1.607 20 0 EDADMP CCN1CC[C@H]([N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856583495 596020550 /nfs/dbraw/zinc/02/05/50/596020550.db2.gz IBZWUHAIHFWCBP-MSOLQXFVSA-N 2 1 346.475 1.607 20 0 EDADMP CCN1CC[C@H]([NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)C1=O ZINC000856583495 596020554 /nfs/dbraw/zinc/02/05/54/596020554.db2.gz IBZWUHAIHFWCBP-MSOLQXFVSA-N 2 1 346.475 1.607 20 0 EDADMP CCN1CC[C@H]([NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)C1=O ZINC000856583495 596020559 /nfs/dbraw/zinc/02/05/59/596020559.db2.gz IBZWUHAIHFWCBP-MSOLQXFVSA-N 2 1 346.475 1.607 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NC3CC3)C2)ccn1 ZINC000856595603 596028750 /nfs/dbraw/zinc/02/87/50/596028750.db2.gz FXTAZKIAXVEJHA-QGZVFWFLSA-N 2 1 332.448 1.265 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NC3CC3)C2)ccn1 ZINC000856595603 596028754 /nfs/dbraw/zinc/02/87/54/596028754.db2.gz FXTAZKIAXVEJHA-QGZVFWFLSA-N 2 1 332.448 1.265 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)ccn1 ZINC000856595603 596028756 /nfs/dbraw/zinc/02/87/56/596028756.db2.gz FXTAZKIAXVEJHA-QGZVFWFLSA-N 2 1 332.448 1.265 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)ccn1 ZINC000856595603 596028760 /nfs/dbraw/zinc/02/87/60/596028760.db2.gz FXTAZKIAXVEJHA-QGZVFWFLSA-N 2 1 332.448 1.265 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](O)c3ccccn3)CC2)CC1 ZINC000852184443 596075086 /nfs/dbraw/zinc/07/50/86/596075086.db2.gz LDUSDSGXUINTCV-IBGZPJMESA-N 2 1 332.492 1.607 20 0 EDADMP C[C@H]1COCC[N@H+]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000854568300 596121532 /nfs/dbraw/zinc/12/15/32/596121532.db2.gz LDCNZIKFNOZMFF-KRWDZBQOSA-N 2 1 337.508 1.964 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC3CC([NH+](C)C)C3)cc2)CC1 ZINC000857229350 596192620 /nfs/dbraw/zinc/19/26/20/596192620.db2.gz QEWBEKDJJABDDS-UHFFFAOYSA-N 2 1 330.476 1.256 20 0 EDADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC2(CO1)CCOCC2 ZINC000866535380 596243585 /nfs/dbraw/zinc/24/35/85/596243585.db2.gz SQAWGXOGFXAKKY-QZTJIDSGSA-N 2 1 338.492 1.805 20 0 EDADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000866659587 596283409 /nfs/dbraw/zinc/28/34/09/596283409.db2.gz OGNVRXDZHQWNPS-WBVHZDCISA-N 2 1 346.475 1.499 20 0 EDADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000866659586 596283475 /nfs/dbraw/zinc/28/34/75/596283475.db2.gz OGNVRXDZHQWNPS-RDJZCZTQSA-N 2 1 346.475 1.499 20 0 EDADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000866659632 596283781 /nfs/dbraw/zinc/28/37/81/596283781.db2.gz QBAIXVGOZZAHQV-GOSISDBHSA-N 2 1 332.492 1.573 20 0 EDADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000866659632 596283784 /nfs/dbraw/zinc/28/37/84/596283784.db2.gz QBAIXVGOZZAHQV-GOSISDBHSA-N 2 1 332.492 1.573 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(CC[C@H]3CC3(Cl)Cl)nn2)CC1 ZINC000864633339 596291980 /nfs/dbraw/zinc/29/19/80/596291980.db2.gz GMLJOILJPYDHAA-NSHDSACASA-N 2 1 332.279 1.828 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC[NH2+]CC2CC2)c1 ZINC000870871494 596384471 /nfs/dbraw/zinc/38/44/71/596384471.db2.gz BTUMGBRRYAKDGR-KRWDZBQOSA-N 2 1 344.459 1.465 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC[NH2+]CC2CC2)c1 ZINC000870871494 596384474 /nfs/dbraw/zinc/38/44/74/596384474.db2.gz BTUMGBRRYAKDGR-KRWDZBQOSA-N 2 1 344.459 1.465 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](C)C1 ZINC000870887519 596390880 /nfs/dbraw/zinc/39/08/80/596390880.db2.gz CPYPRJYPNFSYMD-WCXIOVBPSA-N 2 1 325.497 1.757 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000870887734 596391152 /nfs/dbraw/zinc/39/11/52/596391152.db2.gz GQJOLKBSMHBPIA-WPZCVXBKSA-N 2 1 337.508 1.772 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870919802 596404921 /nfs/dbraw/zinc/40/49/21/596404921.db2.gz HZNWMFHDVVHIJE-FZMZJTMJSA-N 2 1 340.265 1.907 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)CC[C@H]21 ZINC000870980671 596427887 /nfs/dbraw/zinc/42/78/87/596427887.db2.gz ANWBMZZGZBHBTB-UKRRQHHQSA-N 2 1 334.489 1.776 20 0 EDADMP CC(=O)NCC1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000865457494 596580995 /nfs/dbraw/zinc/58/09/95/596580995.db2.gz MCRCGAZULGWTBE-DAWZGUTISA-N 2 1 325.497 1.508 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)C1 ZINC000863650862 596644506 /nfs/dbraw/zinc/64/45/06/596644506.db2.gz DFWRMDAGWRCGTF-XGXHKWSGSA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000863652298 596644669 /nfs/dbraw/zinc/64/46/69/596644669.db2.gz VUTMNIQRDHZOFH-OAHLLOKOSA-N 2 1 338.521 1.795 20 0 EDADMP C[C@H](c1ccc(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000868121601 596693414 /nfs/dbraw/zinc/69/34/14/596693414.db2.gz HIOLUSVABSACQZ-IIAWOOMASA-N 2 1 332.448 1.939 20 0 EDADMP CCOCCCNC(=O)[C@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785227 596700436 /nfs/dbraw/zinc/70/04/36/596700436.db2.gz GIYKLGOHQRVCCP-AVOUXACISA-N 2 1 340.468 1.289 20 0 EDADMP CCOCCCNC(=O)[C@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785227 596700439 /nfs/dbraw/zinc/70/04/39/596700439.db2.gz GIYKLGOHQRVCCP-AVOUXACISA-N 2 1 340.468 1.289 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)C[C@H]1C[NH+](C)C ZINC000870020728 596711828 /nfs/dbraw/zinc/71/18/28/596711828.db2.gz TVRNARMRROXEJC-RBSFLKMASA-N 2 1 333.480 1.027 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868177646 596712076 /nfs/dbraw/zinc/71/20/76/596712076.db2.gz ONMNVCXCXRRXJR-ZWKOTPCHSA-N 2 1 347.507 1.848 20 0 EDADMP CN(CCCN(C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)CC[NH+](C)C ZINC000868177646 596712108 /nfs/dbraw/zinc/71/21/08/596712108.db2.gz ONMNVCXCXRRXJR-ZWKOTPCHSA-N 2 1 347.507 1.848 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868177926 596712524 /nfs/dbraw/zinc/71/25/24/596712524.db2.gz RWOUSSFAIULRGF-DLBZAZTESA-N 2 1 333.480 1.506 20 0 EDADMP CN(CCCNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)CC[NH+](C)C ZINC000868177926 596712527 /nfs/dbraw/zinc/71/25/27/596712527.db2.gz RWOUSSFAIULRGF-DLBZAZTESA-N 2 1 333.480 1.506 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868224186 596733953 /nfs/dbraw/zinc/73/39/53/596733953.db2.gz CZCRQCSKDXAEAO-XOKHGSTOSA-N 2 1 344.459 1.288 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)no1 ZINC000866019564 596760474 /nfs/dbraw/zinc/76/04/74/596760474.db2.gz VYAJQIJGSCBQOS-JTQLQIEISA-N 2 1 347.257 1.439 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)no1 ZINC000866019564 596760477 /nfs/dbraw/zinc/76/04/77/596760477.db2.gz VYAJQIJGSCBQOS-JTQLQIEISA-N 2 1 347.257 1.439 20 0 EDADMP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)[C@@H]1CCCOC1 ZINC000872036212 596798580 /nfs/dbraw/zinc/79/85/80/596798580.db2.gz TUNJPKHDAMRWCF-KURKYZTESA-N 2 1 325.497 1.188 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CCOCC4)C2)C1 ZINC000872144591 596808887 /nfs/dbraw/zinc/80/88/87/596808887.db2.gz HNWNGQWNNGWQEF-MLHJIOFPSA-N 2 1 338.492 1.790 20 0 EDADMP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)CCCCCC[NH3+] ZINC000872155208 596815703 /nfs/dbraw/zinc/81/57/03/596815703.db2.gz NSOHUQSKVJCKAL-AWEZNQCLSA-N 2 1 332.448 1.811 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])C[C@@H]1C ZINC000872191033 596827909 /nfs/dbraw/zinc/82/79/09/596827909.db2.gz WRSXALNGSWDGMB-JKSUJKDBSA-N 2 1 340.512 1.295 20 0 EDADMP Cc1ccc(CN2CCO[C@@H](C[NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000872236199 596847732 /nfs/dbraw/zinc/84/77/32/596847732.db2.gz OOIJVNJZCOITPD-UXHICEINSA-N 2 1 347.503 1.242 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000875810180 596992878 /nfs/dbraw/zinc/99/28/78/596992878.db2.gz XYDVTTWABAJNDM-DMHIMHRUSA-N 2 1 347.507 1.395 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000875810180 596992880 /nfs/dbraw/zinc/99/28/80/596992880.db2.gz XYDVTTWABAJNDM-DMHIMHRUSA-N 2 1 347.507 1.395 20 0 EDADMP CN1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000874511400 597102965 /nfs/dbraw/zinc/10/29/65/597102965.db2.gz UEDUZHLYUXUKAY-NLWGTHIKSA-N 2 1 343.471 1.298 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000874511400 597102967 /nfs/dbraw/zinc/10/29/67/597102967.db2.gz UEDUZHLYUXUKAY-NLWGTHIKSA-N 2 1 343.471 1.298 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000874511400 597102968 /nfs/dbraw/zinc/10/29/68/597102968.db2.gz UEDUZHLYUXUKAY-NLWGTHIKSA-N 2 1 343.471 1.298 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000874511400 597102970 /nfs/dbraw/zinc/10/29/70/597102970.db2.gz UEDUZHLYUXUKAY-NLWGTHIKSA-N 2 1 343.471 1.298 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000874511400 597102972 /nfs/dbraw/zinc/10/29/72/597102972.db2.gz UEDUZHLYUXUKAY-NLWGTHIKSA-N 2 1 343.471 1.298 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN1Cc1ccccn1 ZINC000874838663 597193037 /nfs/dbraw/zinc/19/30/37/597193037.db2.gz QSRUVSCBJXMBFS-KSZLIROESA-N 2 1 328.460 1.741 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000124424216 597218922 /nfs/dbraw/zinc/21/89/22/597218922.db2.gz UACRFRBGGZOQLX-UHFFFAOYSA-N 2 1 345.447 1.624 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876518518 597227992 /nfs/dbraw/zinc/22/79/92/597227992.db2.gz TXCIYXMFQWTURG-UHFFFAOYSA-N 2 1 325.456 1.979 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)C1 ZINC000876520325 597228326 /nfs/dbraw/zinc/22/83/26/597228326.db2.gz JFXLFYZNHCZDJD-WMLDXEAASA-N 2 1 345.443 1.876 20 0 EDADMP C[NH+]1CCN(c2ncc(CNc3ccc([C@@H]4C[C@H]4[NH3+])cc3)cn2)CC1 ZINC000873214534 597230539 /nfs/dbraw/zinc/23/05/39/597230539.db2.gz GJKWYQZSGGZRIT-ZWKOTPCHSA-N 2 1 338.459 1.655 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)[C@H](C)C1 ZINC000873218433 597231385 /nfs/dbraw/zinc/23/13/85/597231385.db2.gz GPQMBFADXJLTDY-RDTXWAMCSA-N 3 1 328.464 1.546 20 0 EDADMP NS(=O)(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000876576829 597247213 /nfs/dbraw/zinc/24/72/13/597247213.db2.gz QYTNJNJXGILWBR-UHFFFAOYSA-N 2 1 337.489 1.642 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000875152968 597304955 /nfs/dbraw/zinc/30/49/55/597304955.db2.gz WMMWFPSRJMVNLC-KRWDZBQOSA-N 2 1 328.460 1.608 20 0 EDADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000876734058 597312336 /nfs/dbraw/zinc/31/23/36/597312336.db2.gz OFWCSCDAVNJWPP-TVXHNZNVSA-N 2 1 343.471 1.912 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000876781428 597338454 /nfs/dbraw/zinc/33/84/54/597338454.db2.gz LIBKFYMTCHNTDM-SQWLQELKSA-N 2 1 331.464 1.471 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876837047 597354158 /nfs/dbraw/zinc/35/41/58/597354158.db2.gz BIXPSLKACZYQCX-QFTYNREVSA-N 2 1 329.444 1.724 20 0 EDADMP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877119086 597437225 /nfs/dbraw/zinc/43/72/25/597437225.db2.gz ABTSIKVTOBBSBF-MSOLQXFVSA-N 2 1 331.460 1.393 20 0 EDADMP C[N@@H+](CC(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1)CC(C)(C)C ZINC000877207092 597462776 /nfs/dbraw/zinc/46/27/76/597462776.db2.gz YWJAKBWHADASAM-UHFFFAOYSA-N 2 1 344.463 1.320 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877250095 597479489 /nfs/dbraw/zinc/47/94/89/597479489.db2.gz NHYIUPLVTSAXRO-DZOHQFGASA-N 2 1 331.460 1.472 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877257932 597482047 /nfs/dbraw/zinc/48/20/47/597482047.db2.gz UOPOIUKJFPZKFM-YLJYHZDGSA-N 2 1 346.519 1.669 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)cc2)CC1 ZINC000877283744 597486639 /nfs/dbraw/zinc/48/66/39/597486639.db2.gz QPASUKAAKRMQPV-RTBURBONSA-N 2 1 342.487 1.401 20 0 EDADMP C[NH+]1CCC(NC(=O)C[NH+]2CCC(O)(c3ccccc3)CC2)CC1 ZINC000878438915 597601960 /nfs/dbraw/zinc/60/19/60/597601960.db2.gz OZOYIHYLJFAPDA-UHFFFAOYSA-N 2 1 331.460 1.180 20 0 EDADMP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)CC2(O)CCCC2)CC1 ZINC000878545302 597629874 /nfs/dbraw/zinc/62/98/74/597629874.db2.gz RNIGSKBPOJDMSK-OAHLLOKOSA-N 2 1 335.448 1.268 20 0 EDADMP O=c1oc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2o1 ZINC000883049468 597631723 /nfs/dbraw/zinc/63/17/23/597631723.db2.gz NIJXHPGAGZEETN-GJZGRUSLSA-N 2 1 332.400 1.853 20 0 EDADMP CC1(C)C[C@H](O)C[NH+](CCOCC[N@@H+]2C[C@@H](O)CC(C)(C)C2)C1 ZINC000879621988 597662134 /nfs/dbraw/zinc/66/21/34/597662134.db2.gz JZLPLUVMFDPXEW-HOTGVXAUSA-N 2 1 328.497 1.189 20 0 EDADMP c1nnnn1CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000878649134 597667587 /nfs/dbraw/zinc/66/75/87/597667587.db2.gz XMCDVFYLGGQXFE-UHFFFAOYSA-N 2 1 326.448 1.661 20 0 EDADMP CC(C)C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)CC1CC[NH+](C)CC1 ZINC000879701822 597694623 /nfs/dbraw/zinc/69/46/23/597694623.db2.gz BTTCLCJDRMMFPR-UHFFFAOYSA-N 2 1 338.496 1.617 20 0 EDADMP C[N@H+](CCNC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1)C1CC1 ZINC000883399063 597731876 /nfs/dbraw/zinc/73/18/76/597731876.db2.gz CCLNPPICMJCEMQ-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1)C1CC1 ZINC000883399063 597731877 /nfs/dbraw/zinc/73/18/77/597731877.db2.gz CCLNPPICMJCEMQ-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883510048 597782109 /nfs/dbraw/zinc/78/21/09/597782109.db2.gz HCJFREWMSSPCGG-IIDMSEBBSA-N 2 1 343.475 1.784 20 0 EDADMP CCN(CC[NH3+])C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883585283 597813664 /nfs/dbraw/zinc/81/36/64/597813664.db2.gz LBLVKWUDRKAFQW-KRWDZBQOSA-N 2 1 331.464 1.784 20 0 EDADMP COCC[N@@H+](Cc1nc(-c2ccccn2)no1)CC1CC[NH+](C)CC1 ZINC000879123011 597826065 /nfs/dbraw/zinc/82/60/65/597826065.db2.gz BJSPVNSBNCLTPO-UHFFFAOYSA-N 2 1 345.447 1.922 20 0 EDADMP COCC[N@H+](Cc1nc(-c2ccccn2)no1)CC1CC[NH+](C)CC1 ZINC000879123011 597826069 /nfs/dbraw/zinc/82/60/69/597826069.db2.gz BJSPVNSBNCLTPO-UHFFFAOYSA-N 2 1 345.447 1.922 20 0 EDADMP COCC[N@H+](Cc1cc(-c2cnn(C)c2)no1)CC1CC[NH+](C)CC1 ZINC000879125730 597827658 /nfs/dbraw/zinc/82/76/58/597827658.db2.gz HFYYZCBOWIRYRH-UHFFFAOYSA-N 2 1 347.463 1.865 20 0 EDADMP CC[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000883893819 597933660 /nfs/dbraw/zinc/93/36/60/597933660.db2.gz RULSAWMKTFYKMF-SFHVURJKSA-N 2 1 330.476 1.651 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000883893819 597933662 /nfs/dbraw/zinc/93/36/62/597933662.db2.gz RULSAWMKTFYKMF-SFHVURJKSA-N 2 1 330.476 1.651 20 0 EDADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000880517773 597953578 /nfs/dbraw/zinc/95/35/78/597953578.db2.gz WMFMNNUQFTWJNW-IBGZPJMESA-N 2 1 333.476 1.557 20 0 EDADMP O[C@@]1(C[NH+]2CCC3(CC2)COCCO3)CC[N@H+](Cc2ccccc2)C1 ZINC000880548800 597961104 /nfs/dbraw/zinc/96/11/04/597961104.db2.gz CYDGXOVQLPWTES-LJQANCHMSA-N 2 1 346.471 1.505 20 0 EDADMP O[C@@]1(C[NH+]2CCC3(CC2)COCCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000880548800 597961106 /nfs/dbraw/zinc/96/11/06/597961106.db2.gz CYDGXOVQLPWTES-LJQANCHMSA-N 2 1 346.471 1.505 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884198084 598024680 /nfs/dbraw/zinc/02/46/80/598024680.db2.gz MRPZJDAZUVMNLA-OLZOCXBDSA-N 2 1 326.238 1.659 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884198084 598024683 /nfs/dbraw/zinc/02/46/83/598024683.db2.gz MRPZJDAZUVMNLA-OLZOCXBDSA-N 2 1 326.238 1.659 20 0 EDADMP C[NH+](C)CCOc1ccc(CCNC(=O)c2ncoc2C[NH3+])cc1 ZINC000884212114 598031098 /nfs/dbraw/zinc/03/10/98/598031098.db2.gz WGDKLSILPVDNNR-UHFFFAOYSA-N 2 1 332.404 1.046 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(C)(C)[C@H]([NH3+])C(C)C)CC1 ZINC000884315840 598063268 /nfs/dbraw/zinc/06/32/68/598063268.db2.gz BQIHBSCEYYDZKH-DZGCQCFKSA-N 2 1 327.469 1.092 20 0 EDADMP CC1(C)C[NH2+]C[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000884369616 598083821 /nfs/dbraw/zinc/08/38/21/598083821.db2.gz KCCKKDBDECUEDI-RCCFBDPRSA-N 2 1 327.472 1.965 20 0 EDADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000884413152 598097470 /nfs/dbraw/zinc/09/74/70/598097470.db2.gz LBAMERUSOXVEOX-OAGGEKHMSA-N 2 1 337.508 1.756 20 0 EDADMP [NH3+][C@H](C(=O)NCC1([NH3+])CCOCC1)c1ccccc1C(F)(F)F ZINC000884432382 598103462 /nfs/dbraw/zinc/10/34/62/598103462.db2.gz CTDCSZXWDCDSDC-LBPRGKRZSA-N 2 1 331.338 1.329 20 0 EDADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001015723870 696711165 /nfs/dbraw/zinc/71/11/65/696711165.db2.gz XSGLBMNAOWUISD-IJLUTSLNSA-N 2 1 330.354 1.667 20 0 EDADMP O=C(NCC1C[NH+](CCCC2CCC2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031856891 700005870 /nfs/dbraw/zinc/00/58/70/700005870.db2.gz LLALHKJWVUZJQD-KGXSXCIVSA-N 2 1 347.503 1.478 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000915135234 695747764 /nfs/dbraw/zinc/74/77/64/695747764.db2.gz HGXRVIGQZYJNEF-OAGGEKHMSA-N 2 1 340.537 1.596 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000915135234 695747765 /nfs/dbraw/zinc/74/77/65/695747765.db2.gz HGXRVIGQZYJNEF-OAGGEKHMSA-N 2 1 340.537 1.596 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000915135234 695747767 /nfs/dbraw/zinc/74/77/67/695747767.db2.gz HGXRVIGQZYJNEF-OAGGEKHMSA-N 2 1 340.537 1.596 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000915457300 695826014 /nfs/dbraw/zinc/82/60/14/695826014.db2.gz AKOAYEHYEOAHHA-GJZGRUSLSA-N 2 1 336.505 1.963 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000915457300 695826020 /nfs/dbraw/zinc/82/60/20/695826020.db2.gz AKOAYEHYEOAHHA-GJZGRUSLSA-N 2 1 336.505 1.963 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000915457300 695826023 /nfs/dbraw/zinc/82/60/23/695826023.db2.gz AKOAYEHYEOAHHA-GJZGRUSLSA-N 2 1 336.505 1.963 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)CN2CCc3sccc3C2)CC[N@H+]1CCO ZINC000948061636 696012086 /nfs/dbraw/zinc/01/20/86/696012086.db2.gz XNCNFBJVHCEFMU-HIFRSBDPSA-N 2 1 337.489 1.068 20 0 EDADMP Cc1c(C(=O)N[C@H]2CCC[N@@H+](CCCO)[C@@H]2C)ccc2c[nH+]cn21 ZINC000993500166 696179203 /nfs/dbraw/zinc/17/92/03/696179203.db2.gz IRBZAESCYLJVMP-PBHICJAKSA-N 2 1 330.432 1.608 20 0 EDADMP C[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000916003312 696610254 /nfs/dbraw/zinc/61/02/54/696610254.db2.gz YPZHBELKFRQVMK-HOTGVXAUSA-N 2 1 342.553 1.293 20 0 EDADMP C[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000916003312 696610256 /nfs/dbraw/zinc/61/02/56/696610256.db2.gz YPZHBELKFRQVMK-HOTGVXAUSA-N 2 1 342.553 1.293 20 0 EDADMP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)o1 ZINC000994253148 696654024 /nfs/dbraw/zinc/65/40/24/696654024.db2.gz NATNUEUVPPAEBH-BBRMVZONSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)o1 ZINC000994253148 696654026 /nfs/dbraw/zinc/65/40/26/696654026.db2.gz NATNUEUVPPAEBH-BBRMVZONSA-N 2 1 332.448 1.548 20 0 EDADMP COc1nccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000940007991 700109474 /nfs/dbraw/zinc/10/94/74/700109474.db2.gz CSELWKZVSBWVDR-OAHLLOKOSA-N 2 1 347.463 1.050 20 0 EDADMP Cc1nnsc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000940007996 700109567 /nfs/dbraw/zinc/10/95/67/700109567.db2.gz CVNDMYQVBLSBFW-ZDUSSCGKSA-N 2 1 337.493 1.411 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CCC[C@H](NC(=O)Cn2ccnc2)[C@@H]1C ZINC000994500957 696944695 /nfs/dbraw/zinc/94/46/95/696944695.db2.gz AJMNMTTWLOAZJP-BBRMVZONSA-N 2 1 331.420 1.657 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CCC[C@H](NC(=O)Cn2ccnc2)[C@@H]1C ZINC000994500957 696944698 /nfs/dbraw/zinc/94/46/98/696944698.db2.gz AJMNMTTWLOAZJP-BBRMVZONSA-N 2 1 331.420 1.657 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000918122220 697133994 /nfs/dbraw/zinc/13/39/94/697133994.db2.gz SUBPTGJYTJZWQS-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC(F)(F)CC2)C1 ZINC001031585524 697279322 /nfs/dbraw/zinc/27/93/22/697279322.db2.gz YPCOMBNBUIKDHY-HNNXBMFYSA-N 2 1 329.435 1.954 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001031584376 697279916 /nfs/dbraw/zinc/27/99/16/697279916.db2.gz CFKBNTJSRVMDOM-SJORKVTESA-N 2 1 335.423 1.001 20 0 EDADMP C[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1Cc2ccccc2C1 ZINC000919949701 697370592 /nfs/dbraw/zinc/37/05/92/697370592.db2.gz IWZUYAXSFIPCID-UHFFFAOYSA-N 2 1 342.443 1.059 20 0 EDADMP C[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1Cc2ccccc2C1 ZINC000919949701 697370595 /nfs/dbraw/zinc/37/05/95/697370595.db2.gz IWZUYAXSFIPCID-UHFFFAOYSA-N 2 1 342.443 1.059 20 0 EDADMP Cc1cccnc1CN1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668280 697459728 /nfs/dbraw/zinc/45/97/28/697459728.db2.gz CBWNINVLNUPOPB-QZTJIDSGSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668280 697459729 /nfs/dbraw/zinc/45/97/29/697459729.db2.gz CBWNINVLNUPOPB-QZTJIDSGSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668280 697459730 /nfs/dbraw/zinc/45/97/30/697459730.db2.gz CBWNINVLNUPOPB-QZTJIDSGSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668908 697463979 /nfs/dbraw/zinc/46/39/79/697463979.db2.gz RRZXMQXZYZHIOM-WBVHZDCISA-N 2 1 332.448 1.405 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668908 697463980 /nfs/dbraw/zinc/46/39/80/697463980.db2.gz RRZXMQXZYZHIOM-WBVHZDCISA-N 2 1 332.448 1.405 20 0 EDADMP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031669440 697464549 /nfs/dbraw/zinc/46/45/49/697464549.db2.gz KFJWZJGVUDWDAD-HOTGVXAUSA-N 2 1 348.516 1.608 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000920758835 697475528 /nfs/dbraw/zinc/47/55/28/697475528.db2.gz NXQLTBURPDEXOF-QGZVFWFLSA-N 2 1 325.497 1.726 20 0 EDADMP COC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031672793 697480873 /nfs/dbraw/zinc/48/08/73/697480873.db2.gz OZXTUAMCJVQUJQ-DOTOQJQBSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031675912 697488387 /nfs/dbraw/zinc/48/83/87/697488387.db2.gz WNUHOJPYPNKFSA-KRWDZBQOSA-N 2 1 348.516 1.650 20 0 EDADMP Cc1ncsc1CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681616 697505453 /nfs/dbraw/zinc/50/54/53/697505453.db2.gz BGPINODHFVZWPU-UKRRQHHQSA-N 2 1 336.505 1.382 20 0 EDADMP Cc1nc(CC[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001031681778 697505687 /nfs/dbraw/zinc/50/56/87/697505687.db2.gz JEYRJYMOOPYBHA-MLGOLLRUSA-N 2 1 336.505 1.382 20 0 EDADMP CC(C)=CC[NH+]1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001032079134 698262325 /nfs/dbraw/zinc/26/23/25/698262325.db2.gz SAXUJBVVBSTECV-UHFFFAOYSA-N 2 1 325.416 1.895 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC000995038595 700227041 /nfs/dbraw/zinc/22/70/41/700227041.db2.gz QWNSBIUXQMZLQV-SJORKVTESA-N 2 1 334.464 1.493 20 0 EDADMP CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000941471033 701549940 /nfs/dbraw/zinc/54/99/40/701549940.db2.gz NWVQNEIABFKXFH-SFHVURJKSA-N 2 1 336.524 1.345 20 0 EDADMP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000940124438 700258015 /nfs/dbraw/zinc/25/80/15/700258015.db2.gz DHRAFRYPTSSUDW-HOTGVXAUSA-N 2 1 348.447 1.009 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943772104 698877830 /nfs/dbraw/zinc/87/78/30/698877830.db2.gz QEUVRENMUAFXPS-WMLDXEAASA-N 2 1 343.431 1.354 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943772104 698877834 /nfs/dbraw/zinc/87/78/34/698877834.db2.gz QEUVRENMUAFXPS-WMLDXEAASA-N 2 1 343.431 1.354 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766750 699066110 /nfs/dbraw/zinc/06/61/10/699066110.db2.gz MVPNLWQNJMCXKE-MOPGFXCFSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766750 699066113 /nfs/dbraw/zinc/06/61/13/699066113.db2.gz MVPNLWQNJMCXKE-MOPGFXCFSA-N 2 1 342.487 1.955 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001031774528 699146454 /nfs/dbraw/zinc/14/64/54/699146454.db2.gz AQPWOPZEVIRWMV-HIFRSBDPSA-N 2 1 329.435 1.954 20 0 EDADMP CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)C1 ZINC000941532239 701572810 /nfs/dbraw/zinc/57/28/10/701572810.db2.gz UNFDUNYPFVEBGZ-LJQANCHMSA-N 2 1 348.535 1.632 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cscn1 ZINC000939137075 699223907 /nfs/dbraw/zinc/22/39/07/699223907.db2.gz DXTGWFKHLSQLQP-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cscn1 ZINC000939137075 699223910 /nfs/dbraw/zinc/22/39/10/699223910.db2.gz DXTGWFKHLSQLQP-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941567371 701579755 /nfs/dbraw/zinc/57/97/55/701579755.db2.gz SEALGGKYIHTLFN-DLBZAZTESA-N 2 1 336.524 1.203 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(C3C[NH+](CC4CCCC4)C3)CC2)C1 ZINC000941566314 701585216 /nfs/dbraw/zinc/58/52/16/701585216.db2.gz BFVYSJRSACJCCT-KRWDZBQOSA-N 2 1 348.535 1.347 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)co1 ZINC000939258636 699436074 /nfs/dbraw/zinc/43/60/74/699436074.db2.gz SAXHLFJRHLLUEV-DYVFJYSZSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1nncs1 ZINC000939259122 699437002 /nfs/dbraw/zinc/43/70/02/699437002.db2.gz UFTIIQGRMRIBLH-OCCSQVGLSA-N 2 1 337.493 1.207 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)c(C)o1 ZINC000939260116 699438239 /nfs/dbraw/zinc/43/82/39/699438239.db2.gz ZFEHYTYTWVPTPD-UGSOOPFHSA-N 2 1 348.491 1.960 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031812410 699497166 /nfs/dbraw/zinc/49/71/66/699497166.db2.gz BGQIDWCFVWOYKI-UHFFFAOYSA-N 2 1 346.475 1.722 20 0 EDADMP CC(C)c1ocnc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939544069 699685297 /nfs/dbraw/zinc/68/52/97/699685297.db2.gz HRYXKYUKMNZJRJ-GOEBONIOSA-N 2 1 346.475 1.830 20 0 EDADMP CC(C)c1cnc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)o1 ZINC000939552268 699701921 /nfs/dbraw/zinc/70/19/21/699701921.db2.gz WRGRYMJIGCOSAF-GJZGRUSLSA-N 2 1 346.475 1.830 20 0 EDADMP COc1ncccc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000939749990 699897273 /nfs/dbraw/zinc/89/72/73/699897273.db2.gz XBCGVITUBDJMTG-CJNGLKHVSA-N 2 1 343.431 1.232 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC000939754097 699904215 /nfs/dbraw/zinc/90/42/15/699904215.db2.gz KSIVPVRAAAMWDD-LSDHHAIUSA-N 2 1 348.495 1.065 20 0 EDADMP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)o1 ZINC000939757246 699923869 /nfs/dbraw/zinc/92/38/69/699923869.db2.gz XMUGPJLEAQUPOF-IUODEOHRSA-N 2 1 345.447 1.687 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2cn(C)nc2C)CC1 ZINC000940214252 700353527 /nfs/dbraw/zinc/35/35/27/700353527.db2.gz CXTRSUFFNOMZRV-UHFFFAOYSA-N 2 1 344.463 1.404 20 0 EDADMP Cc1nc(CN2CCC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)co1 ZINC000948245353 700471606 /nfs/dbraw/zinc/47/16/06/700471606.db2.gz PDWHVFPFEJENAT-SJORKVTESA-N 2 1 334.464 1.890 20 0 EDADMP Cc1nc(C[N@H+]2CCC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)CC2)co1 ZINC000948245353 700471608 /nfs/dbraw/zinc/47/16/08/700471608.db2.gz PDWHVFPFEJENAT-SJORKVTESA-N 2 1 334.464 1.890 20 0 EDADMP Cc1nc(C[N@@H+]2CCC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)CC2)co1 ZINC000948245353 700471609 /nfs/dbraw/zinc/47/16/09/700471609.db2.gz PDWHVFPFEJENAT-SJORKVTESA-N 2 1 334.464 1.890 20 0 EDADMP Cc1nc(C[NH+]2CCC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)co1 ZINC000948245353 700471614 /nfs/dbraw/zinc/47/16/14/700471614.db2.gz PDWHVFPFEJENAT-SJORKVTESA-N 2 1 334.464 1.890 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)nn1C ZINC000940328351 700506249 /nfs/dbraw/zinc/50/62/49/700506249.db2.gz HMXHQXWRVWATJB-OAHLLOKOSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000940329586 700509135 /nfs/dbraw/zinc/50/91/35/700509135.db2.gz VRWLUQHJRGPTNI-SUMWQHHRSA-N 2 1 348.491 1.960 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000940329867 700509505 /nfs/dbraw/zinc/50/95/05/700509505.db2.gz YYKAPXVPWKFPHQ-HNNXBMFYSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000940426307 700620081 /nfs/dbraw/zinc/62/00/81/700620081.db2.gz PCSNQQIMSYIKED-INIZCTEOSA-N 2 1 347.507 1.541 20 0 EDADMP COc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000940457413 700660967 /nfs/dbraw/zinc/66/09/67/700660967.db2.gz DYEKMJYIFJMAPA-MRXNPFEDSA-N 2 1 346.475 1.513 20 0 EDADMP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940457483 700661193 /nfs/dbraw/zinc/66/11/93/700661193.db2.gz HTAOWHYHBRWFSP-OAHLLOKOSA-N 2 1 333.480 1.325 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC000940457916 700661785 /nfs/dbraw/zinc/66/17/85/700661785.db2.gz ZWIIAQQFZUJQLD-HOTGVXAUSA-N 2 1 337.508 1.724 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900769 700975836 /nfs/dbraw/zinc/97/58/36/700975836.db2.gz HXCBFLUYYVPMTB-IOSXPMGOSA-N 2 1 335.492 1.476 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900769 700975837 /nfs/dbraw/zinc/97/58/37/700975837.db2.gz HXCBFLUYYVPMTB-IOSXPMGOSA-N 2 1 335.492 1.476 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900769 700975838 /nfs/dbraw/zinc/97/58/38/700975838.db2.gz HXCBFLUYYVPMTB-IOSXPMGOSA-N 2 1 335.492 1.476 20 0 EDADMP Cc1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC000995110483 700998592 /nfs/dbraw/zinc/99/85/92/700998592.db2.gz ZANNMSUSSULWJL-GJZGRUSLSA-N 2 1 349.479 1.484 20 0 EDADMP Cc1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC000995110483 700998594 /nfs/dbraw/zinc/99/85/94/700998594.db2.gz ZANNMSUSSULWJL-GJZGRUSLSA-N 2 1 349.479 1.484 20 0 EDADMP COc1cc(CN2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)ccn1 ZINC001031920860 701059685 /nfs/dbraw/zinc/05/96/85/701059685.db2.gz BELFDLFUSVSHMP-YOEHRIQHSA-N 2 1 346.475 1.369 20 0 EDADMP COc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)ccn1 ZINC001031920860 701059686 /nfs/dbraw/zinc/05/96/86/701059686.db2.gz BELFDLFUSVSHMP-YOEHRIQHSA-N 2 1 346.475 1.369 20 0 EDADMP COc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)ccn1 ZINC001031920860 701059688 /nfs/dbraw/zinc/05/96/88/701059688.db2.gz BELFDLFUSVSHMP-YOEHRIQHSA-N 2 1 346.475 1.369 20 0 EDADMP COC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031921937 701071487 /nfs/dbraw/zinc/07/14/87/701071487.db2.gz OAQTTWSNKIZVNH-MAUKXSAKSA-N 2 1 337.508 1.866 20 0 EDADMP CCc1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000995171209 701693780 /nfs/dbraw/zinc/69/37/80/701693780.db2.gz ZHLSNCCIJBOENJ-KBPBESRZSA-N 2 1 347.463 1.102 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941165971 701376806 /nfs/dbraw/zinc/37/68/06/701376806.db2.gz CIHGRLZSFISWMX-MRXNPFEDSA-N 2 1 346.475 1.796 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCOC2CCC2)CC1(C)C ZINC000941223861 701414083 /nfs/dbraw/zinc/41/40/83/701414083.db2.gz LOYTWPPBRQKPNZ-KRWDZBQOSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCOC2CCC2)CC1(C)C ZINC000941223861 701414084 /nfs/dbraw/zinc/41/40/84/701414084.db2.gz LOYTWPPBRQKPNZ-KRWDZBQOSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128626 701794194 /nfs/dbraw/zinc/79/41/94/701794194.db2.gz IILAHYHIJJMEMI-CVEARBPZSA-N 2 1 334.464 1.651 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(CF)cc3)C2)C1 ZINC001032203043 701895423 /nfs/dbraw/zinc/89/54/23/701895423.db2.gz YEMBDWVTMBAMCD-GOSISDBHSA-N 2 1 349.450 1.425 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(CF)cc3)C2)C1 ZINC001032203043 701895431 /nfs/dbraw/zinc/89/54/31/701895431.db2.gz YEMBDWVTMBAMCD-GOSISDBHSA-N 2 1 349.450 1.425 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H]3CCc4ccccc43)C2)C1 ZINC001032202281 701918620 /nfs/dbraw/zinc/91/86/20/701918620.db2.gz PYIISFHVFAKYAM-RBUKOAKNSA-N 2 1 343.471 1.443 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H]3CCc4ccccc43)C2)C1 ZINC001032202281 701918626 /nfs/dbraw/zinc/91/86/26/701918626.db2.gz PYIISFHVFAKYAM-RBUKOAKNSA-N 2 1 343.471 1.443 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001031976708 701973016 /nfs/dbraw/zinc/97/30/16/701973016.db2.gz RABYLZCJYVMEEM-YJBOKZPZSA-N 2 1 331.460 1.311 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1 ZINC000999189084 706630815 /nfs/dbraw/zinc/63/08/15/706630815.db2.gz HYJKEQIOUBXSDB-OWCLPIDISA-N 2 1 331.464 1.206 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC000999189084 706630816 /nfs/dbraw/zinc/63/08/16/706630816.db2.gz HYJKEQIOUBXSDB-OWCLPIDISA-N 2 1 331.464 1.206 20 0 EDADMP COc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189548 706631843 /nfs/dbraw/zinc/63/18/43/706631843.db2.gz LHDCLXDUTBDHFR-HYVNUMGLSA-N 2 1 346.475 1.511 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001031977127 702011790 /nfs/dbraw/zinc/01/17/90/702011790.db2.gz WZRDPTZGRJRUTI-MGPUTAFESA-N 2 1 341.499 1.921 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1 ZINC000995800544 702043173 /nfs/dbraw/zinc/04/31/73/702043173.db2.gz GAOIDXDQLYHYQO-SJORKVTESA-N 2 1 347.507 1.620 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCc3nnc(C)[nH]3)C(C)(C)C2)CC[N@H+]1C ZINC000995839172 702118282 /nfs/dbraw/zinc/11/82/82/702118282.db2.gz KFBAVBNPLAHOSR-RRFJBIMHSA-N 2 1 348.495 1.170 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000995868927 702152614 /nfs/dbraw/zinc/15/26/14/702152614.db2.gz DUBHXDRRSCUIRX-JKSUJKDBSA-N 2 1 348.495 1.016 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000995868927 702152619 /nfs/dbraw/zinc/15/26/19/702152619.db2.gz DUBHXDRRSCUIRX-JKSUJKDBSA-N 2 1 348.495 1.016 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000995879768 702187013 /nfs/dbraw/zinc/18/70/13/702187013.db2.gz IDODUAJUYLZAPT-CVEARBPZSA-N 2 1 345.491 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000995879768 702187014 /nfs/dbraw/zinc/18/70/14/702187014.db2.gz IDODUAJUYLZAPT-CVEARBPZSA-N 2 1 345.491 1.678 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000995982825 702342544 /nfs/dbraw/zinc/34/25/44/702342544.db2.gz PVGOURSRGFGCJG-IAGOWNOFSA-N 2 1 330.476 1.893 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000995973898 702357841 /nfs/dbraw/zinc/35/78/41/702357841.db2.gz GEJNPWYKLCSOSU-KGLIPLIRSA-N 2 1 336.505 1.954 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000995973898 702357848 /nfs/dbraw/zinc/35/78/48/702357848.db2.gz GEJNPWYKLCSOSU-KGLIPLIRSA-N 2 1 336.505 1.954 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)on1 ZINC000944171530 702417226 /nfs/dbraw/zinc/41/72/26/702417226.db2.gz YAAOQOOAWYLBON-UKRRQHHQSA-N 2 1 348.447 1.106 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)on1 ZINC000944171530 702417230 /nfs/dbraw/zinc/41/72/30/702417230.db2.gz YAAOQOOAWYLBON-UKRRQHHQSA-N 2 1 348.447 1.106 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000995195829 702427417 /nfs/dbraw/zinc/42/74/17/702427417.db2.gz KFSQVHIRUIMGFQ-NVXWUHKLSA-N 2 1 327.432 1.661 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000942052854 702483998 /nfs/dbraw/zinc/48/39/98/702483998.db2.gz HLKXSPBSICJDSX-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC[C@H]2CCOC2)CC1 ZINC001032665897 706679151 /nfs/dbraw/zinc/67/91/51/706679151.db2.gz LINBKCVBKLBWEL-FHWLQOOXSA-N 2 1 349.519 1.820 20 0 EDADMP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996132884 702563496 /nfs/dbraw/zinc/56/34/96/702563496.db2.gz GWMZURBZWMOWPP-CQSZACIVSA-N 2 1 348.495 1.016 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942098991 702593447 /nfs/dbraw/zinc/59/34/47/702593447.db2.gz FGITYBUEGXGPSU-UKRRQHHQSA-N 2 1 339.505 1.896 20 0 EDADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C)c1nncn1C ZINC000996221800 702632587 /nfs/dbraw/zinc/63/25/87/702632587.db2.gz JWRHGPWRZABCHF-DZGCQCFKSA-N 2 1 348.495 1.045 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)o1 ZINC000996251610 702653444 /nfs/dbraw/zinc/65/34/44/702653444.db2.gz ZASQJUNXHSDTDU-HNNXBMFYSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)o1 ZINC000996251613 702653514 /nfs/dbraw/zinc/65/35/14/702653514.db2.gz ZASQJUNXHSDTDU-OAHLLOKOSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996300279 702691953 /nfs/dbraw/zinc/69/19/53/702691953.db2.gz LEWSBTGWKJQOPQ-GDBMZVCRSA-N 2 1 333.480 1.231 20 0 EDADMP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2nc(C)oc2C)C(C)(C)C1)[NH+](C)C ZINC000996315324 702703475 /nfs/dbraw/zinc/70/34/75/702703475.db2.gz MJTILMHBJYNELN-HOTGVXAUSA-N 2 1 336.480 1.958 20 0 EDADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996400551 702757023 /nfs/dbraw/zinc/75/70/23/702757023.db2.gz VXGZMDGAHDFEFO-BBRMVZONSA-N 2 1 344.463 1.349 20 0 EDADMP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996463488 702790814 /nfs/dbraw/zinc/79/08/14/702790814.db2.gz HAOWAAXAAMWYFG-INIZCTEOSA-N 2 1 334.464 1.936 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996464086 702791466 /nfs/dbraw/zinc/79/14/66/702791466.db2.gz JSRBDRWTGNOADQ-HNNXBMFYSA-N 2 1 337.493 1.492 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996464086 702791469 /nfs/dbraw/zinc/79/14/69/702791469.db2.gz JSRBDRWTGNOADQ-HNNXBMFYSA-N 2 1 337.493 1.492 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996465192 702792429 /nfs/dbraw/zinc/79/24/29/702792429.db2.gz SQGZTGJNKZJAJX-INIZCTEOSA-N 2 1 335.452 1.331 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996478675 702810161 /nfs/dbraw/zinc/81/01/61/702810161.db2.gz SVYNHHBVLSKFRJ-HOCLYGCPSA-N 2 1 347.463 1.333 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)co1 ZINC000996500436 702839614 /nfs/dbraw/zinc/83/96/14/702839614.db2.gz DNYLAANRTPUUSC-YJBOKZPZSA-N 2 1 346.475 1.938 20 0 EDADMP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996514924 702850214 /nfs/dbraw/zinc/85/02/14/702850214.db2.gz OEBAGVIADBENOU-NVXWUHKLSA-N 2 1 347.507 1.131 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)[nH]1 ZINC000996518238 702853633 /nfs/dbraw/zinc/85/36/33/702853633.db2.gz CXIXJSOGSOZSDK-TZMCWYRMSA-N 2 1 346.479 1.097 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)c(C)o1 ZINC000996519033 702854523 /nfs/dbraw/zinc/85/45/23/702854523.db2.gz MNWJCQSRYCMUDB-RDJZCZTQSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)c(C)o1 ZINC000996519033 702854526 /nfs/dbraw/zinc/85/45/26/702854526.db2.gz MNWJCQSRYCMUDB-RDJZCZTQSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1cncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)c1 ZINC000996619055 702925514 /nfs/dbraw/zinc/92/55/14/702925514.db2.gz YIHCUHWVZBCKAJ-SJORKVTESA-N 2 1 330.476 1.668 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996648406 702950169 /nfs/dbraw/zinc/95/01/69/702950169.db2.gz RUFIWKDXOOAAQU-IRXDYDNUSA-N 2 1 346.475 1.129 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996648406 702950172 /nfs/dbraw/zinc/95/01/72/702950172.db2.gz RUFIWKDXOOAAQU-IRXDYDNUSA-N 2 1 346.475 1.129 20 0 EDADMP C[C@@H]1C[C@H](C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CCO1 ZINC000996667019 702963895 /nfs/dbraw/zinc/96/38/95/702963895.db2.gz VTEYSVOBPSGVJU-HZPDHXFCSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccn(C)n3)CC2)C1 ZINC000996666208 702968470 /nfs/dbraw/zinc/96/84/70/702968470.db2.gz PHNFJSWCXZCKJL-INIZCTEOSA-N 2 1 347.507 1.479 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996669522 702971118 /nfs/dbraw/zinc/97/11/18/702971118.db2.gz GPIVLIUXCZONJY-SJORKVTESA-N 2 1 347.507 1.621 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996669599 702971433 /nfs/dbraw/zinc/97/14/33/702971433.db2.gz PVHLFBYNUOZZIR-MRXNPFEDSA-N 2 1 349.479 1.722 20 0 EDADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996715238 703010286 /nfs/dbraw/zinc/01/02/86/703010286.db2.gz DZGZLQJVJUDZER-CVEARBPZSA-N 2 1 333.436 1.167 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnoc2C)C[C@H]1C ZINC000942517536 703010687 /nfs/dbraw/zinc/01/06/87/703010687.db2.gz BHHOQUQGWCUWOA-MLGOLLRUSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnoc2C)C[C@H]1C ZINC000942517536 703010689 /nfs/dbraw/zinc/01/06/89/703010689.db2.gz BHHOQUQGWCUWOA-MLGOLLRUSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cncc(C)c2)C[C@@H]1C ZINC000942518091 703012877 /nfs/dbraw/zinc/01/28/77/703012877.db2.gz LXJDTQNDFLRZRH-YJBOKZPZSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cncc(C)c2)C[C@@H]1C ZINC000942518091 703012880 /nfs/dbraw/zinc/01/28/80/703012880.db2.gz LXJDTQNDFLRZRH-YJBOKZPZSA-N 2 1 341.459 1.922 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)ccn1 ZINC000996728293 703023149 /nfs/dbraw/zinc/02/31/49/703023149.db2.gz IMAACKNVYSDXOT-KRWDZBQOSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)oc1C ZINC000996728647 703023637 /nfs/dbraw/zinc/02/36/37/703023637.db2.gz LQWPYDFGYFNAOX-MRXNPFEDSA-N 2 1 334.464 1.856 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001032026324 703052630 /nfs/dbraw/zinc/05/26/30/703052630.db2.gz CDVXYIHQDRPDTJ-SJLPKXTDSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cncn2C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942554959 703068130 /nfs/dbraw/zinc/06/81/30/703068130.db2.gz BMXCEAFALIEWLJ-DOTOQJQBSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000942598256 703113471 /nfs/dbraw/zinc/11/34/71/703113471.db2.gz UVWSAHYDAQICOM-RDTXWAMCSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]C[C@@H]3CCCCO3)CC2)CC[N@H+]1C ZINC000996922000 703192753 /nfs/dbraw/zinc/19/27/53/703192753.db2.gz KQHRTENTGGBVOZ-BQFCYCMXSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000997004110 703261143 /nfs/dbraw/zinc/26/11/43/703261143.db2.gz BSKAATJBMKRVCL-KXBFYZLASA-N 2 1 345.487 1.457 20 0 EDADMP Cc1ncccc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000997008607 703266902 /nfs/dbraw/zinc/26/69/02/703266902.db2.gz VSYYKARYHVFHIL-OAHLLOKOSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000997011393 703271669 /nfs/dbraw/zinc/27/16/69/703271669.db2.gz VHNZOIKFKCFIME-XJKSGUPXSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)n1 ZINC000997059024 703304415 /nfs/dbraw/zinc/30/44/15/703304415.db2.gz UHJINKSRBPDTPQ-CYBMUJFWSA-N 2 1 349.479 1.752 20 0 EDADMP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000997081364 703320254 /nfs/dbraw/zinc/32/02/54/703320254.db2.gz DPKIHVIISDANJL-CVEARBPZSA-N 2 1 349.504 1.636 20 0 EDADMP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000997081364 703320256 /nfs/dbraw/zinc/32/02/56/703320256.db2.gz DPKIHVIISDANJL-CVEARBPZSA-N 2 1 349.504 1.636 20 0 EDADMP C[C@@H]1C[N@@H+](CCn2cccn2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942823343 703332032 /nfs/dbraw/zinc/33/20/32/703332032.db2.gz TZVGADOVGAZMCO-SJORKVTESA-N 2 1 347.507 1.442 20 0 EDADMP C[C@@H]1C[NH+](CCn2cccn2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942823343 703332034 /nfs/dbraw/zinc/33/20/34/703332034.db2.gz TZVGADOVGAZMCO-SJORKVTESA-N 2 1 347.507 1.442 20 0 EDADMP C[C@@H]1C[NH+](CCn2cccn2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942823343 703332037 /nfs/dbraw/zinc/33/20/37/703332037.db2.gz TZVGADOVGAZMCO-SJORKVTESA-N 2 1 347.507 1.442 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)n1 ZINC000997094155 703332913 /nfs/dbraw/zinc/33/29/13/703332913.db2.gz SPWVMHUKSPSTBS-HOTGVXAUSA-N 2 1 347.463 1.476 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)n1 ZINC000997094155 703332914 /nfs/dbraw/zinc/33/29/14/703332914.db2.gz SPWVMHUKSPSTBS-HOTGVXAUSA-N 2 1 347.463 1.476 20 0 EDADMP Cc1cccc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCOCC3)CC2)c1 ZINC000997094894 703334050 /nfs/dbraw/zinc/33/40/50/703334050.db2.gz VMWDWSUGUNFPDF-UHFFFAOYSA-N 2 1 345.487 1.798 20 0 EDADMP C[C@@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032408707 703436198 /nfs/dbraw/zinc/43/61/98/703436198.db2.gz DGVZKIPERNGBMN-ILXRZTDVSA-N 2 1 337.443 1.092 20 0 EDADMP CCc1nc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000997185046 703473762 /nfs/dbraw/zinc/47/37/62/703473762.db2.gz OYOWQYLJCSYNOU-CYBMUJFWSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1nc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000997185046 703473764 /nfs/dbraw/zinc/47/37/64/703473764.db2.gz OYOWQYLJCSYNOU-CYBMUJFWSA-N 2 1 335.452 1.054 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](CCCO)CC1 ZINC000997277292 703536106 /nfs/dbraw/zinc/53/61/06/703536106.db2.gz QWYUZNGGPGOPJH-UXLLHSPISA-N 2 1 325.497 1.316 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc(C)[nH+]1 ZINC001060824291 703551473 /nfs/dbraw/zinc/55/14/73/703551473.db2.gz DPAFVJIUKLJVBX-HUUCEWRRSA-N 2 1 331.464 1.702 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc(C)[nH+]1 ZINC001060824291 703551475 /nfs/dbraw/zinc/55/14/75/703551475.db2.gz DPAFVJIUKLJVBX-HUUCEWRRSA-N 2 1 331.464 1.702 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3cnccc3C)CC2)C1 ZINC000997335787 703563139 /nfs/dbraw/zinc/56/31/39/703563139.db2.gz LNAHPMSYVGSORS-SFHVURJKSA-N 2 1 346.475 1.191 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3cnccc3C)CC2)C1 ZINC000997335787 703563141 /nfs/dbraw/zinc/56/31/41/703563141.db2.gz LNAHPMSYVGSORS-SFHVURJKSA-N 2 1 346.475 1.191 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)c1ccccc1F)[NH+](C)C ZINC001032474216 703692953 /nfs/dbraw/zinc/69/29/53/703692953.db2.gz QQISZPWGKJYOLI-ZZCKCESHSA-N 2 1 349.450 1.484 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)c1ccccc1F)[NH+](C)C ZINC001032474216 703692954 /nfs/dbraw/zinc/69/29/54/703692954.db2.gz QQISZPWGKJYOLI-ZZCKCESHSA-N 2 1 349.450 1.484 20 0 EDADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H]1CCOC1 ZINC001032489259 703764147 /nfs/dbraw/zinc/76/41/47/703764147.db2.gz XZQBUAFYLZQUPO-NJAFHUGGSA-N 2 1 349.519 1.961 20 0 EDADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCOC1 ZINC001032489259 703764149 /nfs/dbraw/zinc/76/41/49/703764149.db2.gz XZQBUAFYLZQUPO-NJAFHUGGSA-N 2 1 349.519 1.961 20 0 EDADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032489259 703764150 /nfs/dbraw/zinc/76/41/50/703764150.db2.gz XZQBUAFYLZQUPO-NJAFHUGGSA-N 2 1 349.519 1.961 20 0 EDADMP COc1ncccc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997607644 703904484 /nfs/dbraw/zinc/90/44/84/703904484.db2.gz PCEUMEKQANBFBJ-QGZVFWFLSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)cn1 ZINC000995549262 703932155 /nfs/dbraw/zinc/93/21/55/703932155.db2.gz BVERDNRSPOMPBP-HZPDHXFCSA-N 2 1 346.475 1.511 20 0 EDADMP Cc1oncc1C[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001004204040 703941895 /nfs/dbraw/zinc/94/18/95/703941895.db2.gz ODAGNCBSDCWQDM-OKILXGFUSA-N 2 1 334.464 1.936 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000922547408 703953438 /nfs/dbraw/zinc/95/34/38/703953438.db2.gz SNJOFQSPTKHUOV-DOTOQJQBSA-N 2 1 340.512 1.659 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922547408 703953441 /nfs/dbraw/zinc/95/34/41/703953441.db2.gz SNJOFQSPTKHUOV-DOTOQJQBSA-N 2 1 340.512 1.659 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000922547408 703953443 /nfs/dbraw/zinc/95/34/43/703953443.db2.gz SNJOFQSPTKHUOV-DOTOQJQBSA-N 2 1 340.512 1.659 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995552878 703962117 /nfs/dbraw/zinc/96/21/17/703962117.db2.gz RXLUJUMRYSDLII-HZPDHXFCSA-N 2 1 331.464 1.206 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033081942 704138028 /nfs/dbraw/zinc/13/80/28/704138028.db2.gz LTDOAZCNXDAJBO-FUHWJXTLSA-N 2 1 337.508 1.961 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033081942 704138029 /nfs/dbraw/zinc/13/80/29/704138029.db2.gz LTDOAZCNXDAJBO-FUHWJXTLSA-N 2 1 337.508 1.961 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033081942 704138030 /nfs/dbraw/zinc/13/80/30/704138030.db2.gz LTDOAZCNXDAJBO-FUHWJXTLSA-N 2 1 337.508 1.961 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033080207 704145678 /nfs/dbraw/zinc/14/56/78/704145678.db2.gz FOUSUMSFYWAFBD-DOTOQJQBSA-N 2 1 348.516 1.560 20 0 EDADMP Cc1noc(CCC[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001033095539 704182631 /nfs/dbraw/zinc/18/26/31/704182631.db2.gz ZFFVEJQVTAOYLL-VNQPRFMTSA-N 2 1 349.479 1.184 20 0 EDADMP Cc1noc(CCC[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001033095539 704182633 /nfs/dbraw/zinc/18/26/33/704182633.db2.gz ZFFVEJQVTAOYLL-VNQPRFMTSA-N 2 1 349.479 1.184 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001033095539 704182636 /nfs/dbraw/zinc/18/26/36/704182636.db2.gz ZFFVEJQVTAOYLL-VNQPRFMTSA-N 2 1 349.479 1.184 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCOC3CCC3)C2)CC[N@H+]1C ZINC001033100465 704217794 /nfs/dbraw/zinc/21/77/94/704217794.db2.gz ZRDSPFGOJYKUQV-RYQLBKOJSA-N 2 1 337.508 1.819 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCOC3CCC3)C2)CC[NH+]1C ZINC001033100465 704217796 /nfs/dbraw/zinc/21/77/96/704217796.db2.gz ZRDSPFGOJYKUQV-RYQLBKOJSA-N 2 1 337.508 1.819 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCOC3CCC3)C2)CC[NH+]1C ZINC001033100465 704217798 /nfs/dbraw/zinc/21/77/98/704217798.db2.gz ZRDSPFGOJYKUQV-RYQLBKOJSA-N 2 1 337.508 1.819 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC000999306583 706811450 /nfs/dbraw/zinc/81/14/50/706811450.db2.gz JROSQYICMSBWNS-HOTGVXAUSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC000999306583 706811451 /nfs/dbraw/zinc/81/14/51/706811451.db2.gz JROSQYICMSBWNS-HOTGVXAUSA-N 2 1 348.495 1.253 20 0 EDADMP CC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001067635978 704395081 /nfs/dbraw/zinc/39/50/81/704395081.db2.gz DZBSEJPGHXDLKB-UHFFFAOYSA-N 2 1 340.512 1.119 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CC[N@H+]1C ZINC000922878605 704444465 /nfs/dbraw/zinc/44/44/65/704444465.db2.gz OSNVQHXTGJKJOQ-IWCQGFGOSA-N 2 1 331.464 1.466 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC[NH+]1C ZINC000922878605 704444466 /nfs/dbraw/zinc/44/44/66/704444466.db2.gz OSNVQHXTGJKJOQ-IWCQGFGOSA-N 2 1 331.464 1.466 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC[NH+]1C ZINC000922878605 704444467 /nfs/dbraw/zinc/44/44/67/704444467.db2.gz OSNVQHXTGJKJOQ-IWCQGFGOSA-N 2 1 331.464 1.466 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCC1CCOCC1 ZINC000947933403 704554453 /nfs/dbraw/zinc/55/44/53/704554453.db2.gz AAOJJZUHXHONKU-WMZOPIPTSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CC3CC(C)(C)C3)C(C)(C)C2)C1 ZINC000995606466 704569963 /nfs/dbraw/zinc/56/99/63/704569963.db2.gz PGLBKTKAVRBMJH-HOTGVXAUSA-N 2 1 337.508 1.580 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CC3CC(C)(C)C3)C(C)(C)C2)C1 ZINC000995606466 704569964 /nfs/dbraw/zinc/56/99/64/704569964.db2.gz PGLBKTKAVRBMJH-HOTGVXAUSA-N 2 1 337.508 1.580 20 0 EDADMP Cc1conc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947933849 704582360 /nfs/dbraw/zinc/58/23/60/704582360.db2.gz HLRWNUFOGKKHSY-GJZGRUSLSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1conc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947933849 704582361 /nfs/dbraw/zinc/58/23/61/704582361.db2.gz HLRWNUFOGKKHSY-GJZGRUSLSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997792545 704701219 /nfs/dbraw/zinc/70/12/19/704701219.db2.gz IBBCWGQFOWGSEI-NVXWUHKLSA-N 2 1 345.491 1.453 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997822871 704742838 /nfs/dbraw/zinc/74/28/38/704742838.db2.gz HDVLQUZHTWSVAG-MRXNPFEDSA-N 2 1 343.431 1.777 20 0 EDADMP C[C@@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)O1 ZINC000997830304 704748930 /nfs/dbraw/zinc/74/89/30/704748930.db2.gz HNLNCVYCFFLPIO-QAPCUYQASA-N 2 1 337.508 1.866 20 0 EDADMP Cc1nocc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997863595 704770596 /nfs/dbraw/zinc/77/05/96/704770596.db2.gz BDAMPRKBRCGLIP-QGZVFWFLSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997861972 704772187 /nfs/dbraw/zinc/77/21/87/704772187.db2.gz XCUGQWAVAMMXBN-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997861972 704772188 /nfs/dbraw/zinc/77/21/88/704772188.db2.gz XCUGQWAVAMMXBN-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)nn1C ZINC000997865368 704772385 /nfs/dbraw/zinc/77/23/85/704772385.db2.gz NKKFYZLEBQZDPR-SFHVURJKSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2nccnc2C)C[C@@H]1C ZINC000944942767 704795096 /nfs/dbraw/zinc/79/50/96/704795096.db2.gz CXIUDBZFXQHMFB-XJKSGUPXSA-N 2 1 342.447 1.317 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2nccnc2C)C[C@@H]1C ZINC000944942767 704795097 /nfs/dbraw/zinc/79/50/97/704795097.db2.gz CXIUDBZFXQHMFB-XJKSGUPXSA-N 2 1 342.447 1.317 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)ccn1 ZINC000944945554 704798615 /nfs/dbraw/zinc/79/86/15/704798615.db2.gz SBYYNLLIMNHUJY-WBVHZDCISA-N 2 1 346.475 1.513 20 0 EDADMP Cc1ncsc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944946231 704799278 /nfs/dbraw/zinc/79/92/78/704799278.db2.gz VSEYSGRXAGLTRT-DZGCQCFKSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ncccc2C)C[C@@H]1C ZINC000944963861 704831032 /nfs/dbraw/zinc/83/10/32/704831032.db2.gz DPBSNVKLAWMIHO-RDJZCZTQSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ncccc2C)C[C@@H]1C ZINC000944963861 704831037 /nfs/dbraw/zinc/83/10/37/704831037.db2.gz DPBSNVKLAWMIHO-RDJZCZTQSA-N 2 1 341.459 1.922 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCC1 ZINC001032586891 705105778 /nfs/dbraw/zinc/10/57/78/705105778.db2.gz GBTIXRIYNUMMII-GBBGEASQSA-N 2 1 349.519 1.817 20 0 EDADMP CO[C@@H](C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCC1 ZINC001032586891 705105781 /nfs/dbraw/zinc/10/57/81/705105781.db2.gz GBTIXRIYNUMMII-GBBGEASQSA-N 2 1 349.519 1.817 20 0 EDADMP CO[C@@H](C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCC1 ZINC001032586891 705105784 /nfs/dbraw/zinc/10/57/84/705105784.db2.gz GBTIXRIYNUMMII-GBBGEASQSA-N 2 1 349.519 1.817 20 0 EDADMP CCn1nncc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000998082565 705310370 /nfs/dbraw/zinc/31/03/70/705310370.db2.gz QTAYZHOUSDITIQ-HNNXBMFYSA-N 2 1 348.495 1.111 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC000998189203 705494486 /nfs/dbraw/zinc/49/44/86/705494486.db2.gz MEQKMPXWUGHPJK-IAGOWNOFSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](Cc2ccnn2C)CC1 ZINC000998189203 705494488 /nfs/dbraw/zinc/49/44/88/705494488.db2.gz MEQKMPXWUGHPJK-IAGOWNOFSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](Cc2ccnn2C)CC1 ZINC000998189203 705494491 /nfs/dbraw/zinc/49/44/91/705494491.db2.gz MEQKMPXWUGHPJK-IAGOWNOFSA-N 2 1 347.507 1.575 20 0 EDADMP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998216763 705539043 /nfs/dbraw/zinc/53/90/43/705539043.db2.gz KNOQGRXGLXJWKN-KRWDZBQOSA-N 2 1 348.491 1.961 20 0 EDADMP COc1ncccc1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998270806 705649986 /nfs/dbraw/zinc/64/99/86/705649986.db2.gz DQIYECYZCXOVTJ-KRWDZBQOSA-N 2 1 346.475 1.370 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000998286115 705680112 /nfs/dbraw/zinc/68/01/12/705680112.db2.gz FSTHVUDMXVREMW-IYBDPMFKSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000998288911 705689434 /nfs/dbraw/zinc/68/94/34/705689434.db2.gz XRLSYEFKVSVSJY-IYBDPMFKSA-N 2 1 345.491 1.678 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC000998534237 705968980 /nfs/dbraw/zinc/96/89/80/705968980.db2.gz DPKPLAQCTRASOQ-JXQTWKCFSA-N 2 1 349.479 1.540 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC000998534237 705968984 /nfs/dbraw/zinc/96/89/84/705968984.db2.gz DPKPLAQCTRASOQ-JXQTWKCFSA-N 2 1 349.479 1.540 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)n1C1CC1 ZINC000998547831 705980580 /nfs/dbraw/zinc/98/05/80/705980580.db2.gz AXKFOYDRESUHLQ-AVVWSFFYSA-N 2 1 346.479 1.095 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(CO)ccc2F)C1 ZINC000998728166 706158282 /nfs/dbraw/zinc/15/82/82/706158282.db2.gz BTRIUDSFLMPMAE-SJLPKXTDSA-N 2 1 349.450 1.493 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000998731573 706164315 /nfs/dbraw/zinc/16/43/15/706164315.db2.gz OLDWPTNXEFUVKW-YJBOKZPZSA-N 2 1 345.491 1.394 20 0 EDADMP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998762741 706200930 /nfs/dbraw/zinc/20/09/30/706200930.db2.gz GPVDNELTRNUSLJ-UYSNPLJNSA-N 2 1 334.464 1.935 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CC3CCOCC3)C2)CC[N@H+]1C ZINC000998793324 706240071 /nfs/dbraw/zinc/24/00/71/706240071.db2.gz HEBRNTAAJLEYHZ-ZGUYJTEBSA-N 2 1 337.508 1.722 20 0 EDADMP Cc1ccc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998811407 706254890 /nfs/dbraw/zinc/25/48/90/706254890.db2.gz JZFXUXULNLMEGV-OALUTQOASA-N 2 1 345.487 1.715 20 0 EDADMP Cc1ccc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998811407 706254891 /nfs/dbraw/zinc/25/48/91/706254891.db2.gz JZFXUXULNLMEGV-OALUTQOASA-N 2 1 345.487 1.715 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2CC)C1 ZINC000998867248 706297030 /nfs/dbraw/zinc/29/70/30/706297030.db2.gz OVWLLVSNHXIXMS-JCYILVPMSA-N 2 1 347.507 1.856 20 0 EDADMP C[C@@H]([NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1)c1nc(C2CC2)no1 ZINC000999834774 707468198 /nfs/dbraw/zinc/46/81/98/707468198.db2.gz WBARAQOYEUNDHO-LRVUVFPRSA-N 2 1 347.463 1.683 20 0 EDADMP CCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999142865 706556356 /nfs/dbraw/zinc/55/63/56/706556356.db2.gz COJOKDAUIKWMGC-CVEARBPZSA-N 2 1 348.495 1.251 20 0 EDADMP CCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999142865 706556358 /nfs/dbraw/zinc/55/63/58/706556358.db2.gz COJOKDAUIKWMGC-CVEARBPZSA-N 2 1 348.495 1.251 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC000999147006 706560412 /nfs/dbraw/zinc/56/04/12/706560412.db2.gz ZKKAKSITEQOZRX-SJLPKXTDSA-N 2 1 347.507 1.416 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946518118 706574993 /nfs/dbraw/zinc/57/49/93/706574993.db2.gz OELPMVWZHZIWKG-AKHDSKFASA-N 2 1 349.519 1.678 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)nc1 ZINC000999348213 706860293 /nfs/dbraw/zinc/86/02/93/706860293.db2.gz MOEBUTFTCUDLMC-HNNXBMFYSA-N 2 1 331.464 1.350 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)cn1 ZINC000999366021 706879986 /nfs/dbraw/zinc/87/99/86/706879986.db2.gz SQQDYWSVDPEAHG-INIZCTEOSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999400901 706896119 /nfs/dbraw/zinc/89/61/19/706896119.db2.gz MNMMZDOTXTXOPO-HOTGVXAUSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)o1 ZINC000999402034 706910350 /nfs/dbraw/zinc/91/03/50/706910350.db2.gz CXQCCIMPQXQPDH-UHFFFAOYSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)o1 ZINC000999402034 706910352 /nfs/dbraw/zinc/91/03/52/706910352.db2.gz CXQCCIMPQXQPDH-UHFFFAOYSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1nnsc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999409760 706919802 /nfs/dbraw/zinc/91/98/02/706919802.db2.gz SMJBJMJOHHVXNG-LMWSTFAQSA-N 2 1 337.493 1.267 20 0 EDADMP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000999410519 706920256 /nfs/dbraw/zinc/92/02/56/706920256.db2.gz YGSBENGPSDRQHT-NVPAJSRCSA-N 2 1 331.464 1.206 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)O1 ZINC000999498964 706996936 /nfs/dbraw/zinc/99/69/36/706996936.db2.gz XTPCEXNAZJERRE-HYVNUMGLSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)O1 ZINC000999498964 706996939 /nfs/dbraw/zinc/99/69/39/706996939.db2.gz XTPCEXNAZJERRE-HYVNUMGLSA-N 2 1 337.508 1.722 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999506863 707004404 /nfs/dbraw/zinc/00/44/04/707004404.db2.gz CBXHGNILFNDXDD-JKSUJKDBSA-N 2 1 333.480 1.468 20 0 EDADMP CCCn1ncnc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999681938 707167307 /nfs/dbraw/zinc/16/73/07/707167307.db2.gz LFHVRTWOZRGHEL-QQFBHYJXSA-N 2 1 348.495 1.109 20 0 EDADMP CN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033255259 707244807 /nfs/dbraw/zinc/24/48/07/707244807.db2.gz IXQODGLHWBGGPZ-MRXNPFEDSA-N 2 1 325.416 1.824 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)ccn1 ZINC000999716324 707254216 /nfs/dbraw/zinc/25/42/16/707254216.db2.gz ZIKLOHAMGQYPKS-MRXNPFEDSA-N 2 1 343.431 1.376 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC000999730704 707274655 /nfs/dbraw/zinc/27/46/55/707274655.db2.gz ZVLQGWJSZLUTGV-OAHLLOKOSA-N 2 1 328.420 1.071 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000999711669 707306733 /nfs/dbraw/zinc/30/67/33/707306733.db2.gz FVFBIJPGENMLKR-IRXDYDNUSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1ncsc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033197564 707416350 /nfs/dbraw/zinc/41/63/50/707416350.db2.gz INRKRAHYGQKFJU-CABCVRRESA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033197564 707416352 /nfs/dbraw/zinc/41/63/52/707416352.db2.gz INRKRAHYGQKFJU-CABCVRRESA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033197564 707416355 /nfs/dbraw/zinc/41/63/55/707416355.db2.gz INRKRAHYGQKFJU-CABCVRRESA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033197564 707416358 /nfs/dbraw/zinc/41/63/58/707416358.db2.gz INRKRAHYGQKFJU-CABCVRRESA-N 2 1 336.505 1.969 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001033308214 707472887 /nfs/dbraw/zinc/47/28/87/707472887.db2.gz FHUJAZLPBAGXQJ-PBHICJAKSA-N 2 1 328.416 1.399 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000999869729 707512251 /nfs/dbraw/zinc/51/22/51/707512251.db2.gz CTPWTCSRHGCOBB-HNNXBMFYSA-N 2 1 348.495 1.253 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001000106956 707700309 /nfs/dbraw/zinc/70/03/09/707700309.db2.gz VQNCXIMTZPFLFE-RDJZCZTQSA-N 2 1 335.492 1.478 20 0 EDADMP Cc1ccncc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001033415580 707791857 /nfs/dbraw/zinc/79/18/57/707791857.db2.gz JLZAIXZCAYOVAA-WMZOPIPTSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ccncc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033415580 707791860 /nfs/dbraw/zinc/79/18/60/707791860.db2.gz JLZAIXZCAYOVAA-WMZOPIPTSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033415580 707791865 /nfs/dbraw/zinc/79/18/65/707791865.db2.gz JLZAIXZCAYOVAA-WMZOPIPTSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001000193648 707830505 /nfs/dbraw/zinc/83/05/05/707830505.db2.gz QRBKMQPWOBDFIO-GDBMZVCRSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033420517 707831546 /nfs/dbraw/zinc/83/15/46/707831546.db2.gz QDMNPGLXYIZESC-NVXWUHKLSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cccnc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420517 707831549 /nfs/dbraw/zinc/83/15/49/707831549.db2.gz QDMNPGLXYIZESC-NVXWUHKLSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420517 707831553 /nfs/dbraw/zinc/83/15/53/707831553.db2.gz QDMNPGLXYIZESC-NVXWUHKLSA-N 2 1 330.476 1.765 20 0 EDADMP CCc1nc(N2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc(C)[nH+]1 ZINC001061603724 707839198 /nfs/dbraw/zinc/83/91/98/707839198.db2.gz FMFYFMFMYNRDSI-CABCVRRESA-N 2 1 331.464 1.242 20 0 EDADMP CCc1nc(N2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc(C)[nH+]1 ZINC001061603724 707839202 /nfs/dbraw/zinc/83/92/02/707839202.db2.gz FMFYFMFMYNRDSI-CABCVRRESA-N 2 1 331.464 1.242 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001033227604 707844359 /nfs/dbraw/zinc/84/43/59/707844359.db2.gz FDOVAGQZOCBOAQ-SJORKVTESA-N 2 1 335.492 1.574 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033425952 707846424 /nfs/dbraw/zinc/84/64/24/707846424.db2.gz MCRZXSAPAUKFFL-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033425952 707846426 /nfs/dbraw/zinc/84/64/26/707846426.db2.gz MCRZXSAPAUKFFL-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033425952 707846429 /nfs/dbraw/zinc/84/64/29/707846429.db2.gz MCRZXSAPAUKFFL-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033425952 707846431 /nfs/dbraw/zinc/84/64/31/707846431.db2.gz MCRZXSAPAUKFFL-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001033225449 707853656 /nfs/dbraw/zinc/85/36/56/707853656.db2.gz HDOGONOZRYPUHS-IRXDYDNUSA-N 2 1 335.492 1.717 20 0 EDADMP CN1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](C/C=C/Cl)C[C@H]3CC2)C1 ZINC000946536767 707901032 /nfs/dbraw/zinc/90/10/32/707901032.db2.gz XNEBWGBEAYFFCB-JTUBXYIQSA-N 2 1 341.883 1.240 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](C/C=C/Cl)C[C@H]3CC2)C1 ZINC000946536767 707901037 /nfs/dbraw/zinc/90/10/37/707901037.db2.gz XNEBWGBEAYFFCB-JTUBXYIQSA-N 2 1 341.883 1.240 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](C/C=C/Cl)C[C@H]3CC2)C1 ZINC000946536767 707901040 /nfs/dbraw/zinc/90/10/40/707901040.db2.gz XNEBWGBEAYFFCB-JTUBXYIQSA-N 2 1 341.883 1.240 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](C/C=C/Cl)C[C@H]3CC2)C1 ZINC000946536767 707901044 /nfs/dbraw/zinc/90/10/44/707901044.db2.gz XNEBWGBEAYFFCB-JTUBXYIQSA-N 2 1 341.883 1.240 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](C/C=C/Cl)C[C@H]3CC2)C1 ZINC000946536767 707901047 /nfs/dbraw/zinc/90/10/47/707901047.db2.gz XNEBWGBEAYFFCB-JTUBXYIQSA-N 2 1 341.883 1.240 20 0 EDADMP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001032782070 707972030 /nfs/dbraw/zinc/97/20/30/707972030.db2.gz SUHHOHOIMRHTLO-IKGGRYGDSA-N 2 1 329.444 1.432 20 0 EDADMP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001032782070 707972033 /nfs/dbraw/zinc/97/20/33/707972033.db2.gz SUHHOHOIMRHTLO-IKGGRYGDSA-N 2 1 329.444 1.432 20 0 EDADMP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001032782070 707972036 /nfs/dbraw/zinc/97/20/36/707972036.db2.gz SUHHOHOIMRHTLO-IKGGRYGDSA-N 2 1 329.444 1.432 20 0 EDADMP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001032782070 707972039 /nfs/dbraw/zinc/97/20/39/707972039.db2.gz SUHHOHOIMRHTLO-IKGGRYGDSA-N 2 1 329.444 1.432 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nonc2C)C1 ZINC001001005252 708081584 /nfs/dbraw/zinc/08/15/84/708081584.db2.gz AAUYSVXJNLUXJI-GOEBONIOSA-N 2 1 335.452 1.333 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nonc2C)C1 ZINC001001005252 708081585 /nfs/dbraw/zinc/08/15/85/708081585.db2.gz AAUYSVXJNLUXJI-GOEBONIOSA-N 2 1 335.452 1.333 20 0 EDADMP Cc1noc(CCC[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001005177720 708119121 /nfs/dbraw/zinc/11/91/21/708119121.db2.gz DDLLQCCSOGVCAL-INIZCTEOSA-N 2 1 349.479 1.328 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001033580710 708261427 /nfs/dbraw/zinc/26/14/27/708261427.db2.gz HLDSXKGHVJQWON-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001033580710 708261439 /nfs/dbraw/zinc/26/14/39/708261439.db2.gz HLDSXKGHVJQWON-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)s1 ZINC001033580710 708261443 /nfs/dbraw/zinc/26/14/43/708261443.db2.gz HLDSXKGHVJQWON-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)s1 ZINC001033580710 708261447 /nfs/dbraw/zinc/26/14/47/708261447.db2.gz HLDSXKGHVJQWON-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP COCC[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001772618 708265417 /nfs/dbraw/zinc/26/54/17/708265417.db2.gz MILOWNLFGKLWNQ-MRXNPFEDSA-N 2 1 334.464 1.229 20 0 EDADMP Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001033594489 708296364 /nfs/dbraw/zinc/29/63/64/708296364.db2.gz QMUNZGQRIQFKOI-CVEARBPZSA-N 2 1 343.475 1.475 20 0 EDADMP Cc1cnc([C@@H](C)[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001033594489 708296365 /nfs/dbraw/zinc/29/63/65/708296365.db2.gz QMUNZGQRIQFKOI-CVEARBPZSA-N 2 1 343.475 1.475 20 0 EDADMP Cc1conc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001824145 708326736 /nfs/dbraw/zinc/32/67/36/708326736.db2.gz CFCFDQQJLNSNMI-CZUORRHYSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1conc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001824145 708326738 /nfs/dbraw/zinc/32/67/38/708326738.db2.gz CFCFDQQJLNSNMI-CZUORRHYSA-N 2 1 334.464 1.509 20 0 EDADMP CN(C)c1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)ccn1 ZINC001033666090 708450111 /nfs/dbraw/zinc/45/01/11/708450111.db2.gz UOKKGMCDSBQYFN-IRXDYDNUSA-N 2 1 345.491 1.132 20 0 EDADMP CN(C)c1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)ccn1 ZINC001033666090 708450112 /nfs/dbraw/zinc/45/01/12/708450112.db2.gz UOKKGMCDSBQYFN-IRXDYDNUSA-N 2 1 345.491 1.132 20 0 EDADMP CN(C)c1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC001033666090 708450114 /nfs/dbraw/zinc/45/01/14/708450114.db2.gz UOKKGMCDSBQYFN-IRXDYDNUSA-N 2 1 345.491 1.132 20 0 EDADMP Cc1nc(CC[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)cs1 ZINC001033670467 708460494 /nfs/dbraw/zinc/46/04/94/708460494.db2.gz VGQVRTFGMJQRLB-INIZCTEOSA-N 2 1 347.488 1.732 20 0 EDADMP Cc1nc(CC[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)cs1 ZINC001033670467 708460495 /nfs/dbraw/zinc/46/04/95/708460495.db2.gz VGQVRTFGMJQRLB-INIZCTEOSA-N 2 1 347.488 1.732 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001033673018 708465546 /nfs/dbraw/zinc/46/55/46/708465546.db2.gz VDPLJKZLSAPCMM-MSOLQXFVSA-N 2 1 349.519 1.820 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001033673018 708465549 /nfs/dbraw/zinc/46/55/49/708465549.db2.gz VDPLJKZLSAPCMM-MSOLQXFVSA-N 2 1 349.519 1.820 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CC4(CCC4)C3)C2)C1 ZINC001033673018 708465551 /nfs/dbraw/zinc/46/55/51/708465551.db2.gz VDPLJKZLSAPCMM-MSOLQXFVSA-N 2 1 349.519 1.820 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CC4(CCC4)C3)C2)C1 ZINC001033673018 708465554 /nfs/dbraw/zinc/46/55/54/708465554.db2.gz VDPLJKZLSAPCMM-MSOLQXFVSA-N 2 1 349.519 1.820 20 0 EDADMP COc1cccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001002120052 708633702 /nfs/dbraw/zinc/63/37/02/708633702.db2.gz FAGHIKOLKZXSQD-SFHVURJKSA-N 2 1 345.487 1.975 20 0 EDADMP CCn1ccnc1CN1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002120606 708634344 /nfs/dbraw/zinc/63/43/44/708634344.db2.gz JKZFWRJRRFAUAZ-MRXNPFEDSA-N 2 1 333.480 1.183 20 0 EDADMP CCn1ccnc1C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002120606 708634346 /nfs/dbraw/zinc/63/43/46/708634346.db2.gz JKZFWRJRRFAUAZ-MRXNPFEDSA-N 2 1 333.480 1.183 20 0 EDADMP CCn1ccnc1C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002120606 708634349 /nfs/dbraw/zinc/63/43/49/708634349.db2.gz JKZFWRJRRFAUAZ-MRXNPFEDSA-N 2 1 333.480 1.183 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033830614 708852094 /nfs/dbraw/zinc/85/20/94/708852094.db2.gz LNAFBUPAMNVVJJ-MSOLQXFVSA-N 2 1 345.491 1.148 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033839247 708869135 /nfs/dbraw/zinc/86/91/35/708869135.db2.gz QXVKBNQDJJFYPN-BPQIPLTHSA-N 2 1 330.476 1.845 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033839247 708869139 /nfs/dbraw/zinc/86/91/39/708869139.db2.gz QXVKBNQDJJFYPN-BPQIPLTHSA-N 2 1 330.476 1.845 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033839247 708869143 /nfs/dbraw/zinc/86/91/43/708869143.db2.gz QXVKBNQDJJFYPN-BPQIPLTHSA-N 2 1 330.476 1.845 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033926331 709054835 /nfs/dbraw/zinc/05/48/35/709054835.db2.gz BDYQMDYRHGLDHS-WMZOPIPTSA-N 2 1 337.508 1.963 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033926331 709054838 /nfs/dbraw/zinc/05/48/38/709054838.db2.gz BDYQMDYRHGLDHS-WMZOPIPTSA-N 2 1 337.508 1.963 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033926331 709054841 /nfs/dbraw/zinc/05/48/41/709054841.db2.gz BDYQMDYRHGLDHS-WMZOPIPTSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+]([C@H](C)COC)CC1 ZINC001005476609 709113766 /nfs/dbraw/zinc/11/37/66/709113766.db2.gz OTESKVYEMAHVSD-WBVHZDCISA-N 2 1 325.497 1.819 20 0 EDADMP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001043629020 709135633 /nfs/dbraw/zinc/13/56/33/709135633.db2.gz NRNZUMNXSIQFQF-QGZVFWFLSA-N 2 1 325.497 1.674 20 0 EDADMP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001043629020 709135635 /nfs/dbraw/zinc/13/56/35/709135635.db2.gz NRNZUMNXSIQFQF-QGZVFWFLSA-N 2 1 325.497 1.674 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001033941601 709148451 /nfs/dbraw/zinc/14/84/51/709148451.db2.gz QSQZMCRMCONYTN-AEFFLSMTSA-N 2 1 337.508 1.678 20 0 EDADMP CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001034004146 709243178 /nfs/dbraw/zinc/24/31/78/709243178.db2.gz NFHGWQBYRATOSH-WMLDXEAASA-N 2 1 343.431 1.185 20 0 EDADMP CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034004146 709243179 /nfs/dbraw/zinc/24/31/79/709243179.db2.gz NFHGWQBYRATOSH-WMLDXEAASA-N 2 1 343.431 1.185 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001034040147 709273652 /nfs/dbraw/zinc/27/36/52/709273652.db2.gz PMEUHFFEFLLMFP-UONOGXRCSA-N 2 1 337.493 1.221 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001034040147 709273653 /nfs/dbraw/zinc/27/36/53/709273653.db2.gz PMEUHFFEFLLMFP-UONOGXRCSA-N 2 1 337.493 1.221 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2snnc2C)C1 ZINC001034040147 709273654 /nfs/dbraw/zinc/27/36/54/709273654.db2.gz PMEUHFFEFLLMFP-UONOGXRCSA-N 2 1 337.493 1.221 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2snnc2C)C1 ZINC001034040147 709273655 /nfs/dbraw/zinc/27/36/55/709273655.db2.gz PMEUHFFEFLLMFP-UONOGXRCSA-N 2 1 337.493 1.221 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@H](N(CC)C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034040391 709273712 /nfs/dbraw/zinc/27/37/12/709273712.db2.gz TXTPAEVOQXDZJO-HOTGVXAUSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@H](N(CC)C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001034040391 709273714 /nfs/dbraw/zinc/27/37/14/709273714.db2.gz TXTPAEVOQXDZJO-HOTGVXAUSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@H](N(CC)C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034040391 709273717 /nfs/dbraw/zinc/27/37/17/709273717.db2.gz TXTPAEVOQXDZJO-HOTGVXAUSA-N 2 1 348.491 1.920 20 0 EDADMP Cn1nccc1CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034129520 709398965 /nfs/dbraw/zinc/39/89/65/709398965.db2.gz CJSDSMLBLCONBG-WBVHZDCISA-N 2 1 333.480 1.028 20 0 EDADMP Cn1nccc1CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034129520 709398968 /nfs/dbraw/zinc/39/89/68/709398968.db2.gz CJSDSMLBLCONBG-WBVHZDCISA-N 2 1 333.480 1.028 20 0 EDADMP Cn1nccc1CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034129520 709398969 /nfs/dbraw/zinc/39/89/69/709398969.db2.gz CJSDSMLBLCONBG-WBVHZDCISA-N 2 1 333.480 1.028 20 0 EDADMP O=C(NC1CC[NH+](CCCO)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001002821663 709441162 /nfs/dbraw/zinc/44/11/62/709441162.db2.gz CSJUHNTYQLUSJQ-INIZCTEOSA-N 2 1 337.508 1.604 20 0 EDADMP COc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)on1 ZINC001002861417 709464745 /nfs/dbraw/zinc/46/47/45/709464745.db2.gz XVCNQMGMUOMWIM-IUODEOHRSA-N 2 1 336.436 1.104 20 0 EDADMP COc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)on1 ZINC001002861417 709464747 /nfs/dbraw/zinc/46/47/47/709464747.db2.gz XVCNQMGMUOMWIM-IUODEOHRSA-N 2 1 336.436 1.104 20 0 EDADMP CC1(C)CC(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC001002874458 709480900 /nfs/dbraw/zinc/48/09/00/709480900.db2.gz IKBOKQYADRSSNU-QZTJIDSGSA-N 2 1 349.519 1.866 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000702391987 709510547 /nfs/dbraw/zinc/51/05/47/709510547.db2.gz QGRPRCWRPHNRMH-HPFXQQBRSA-N 2 1 332.492 1.385 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001002954646 709655263 /nfs/dbraw/zinc/65/52/63/709655263.db2.gz HNQBRBNRFNGXMI-QGZVFWFLSA-N 2 1 333.480 1.338 20 0 EDADMP O=C(N[C@@H]1CCCC[N@H+](CCCO)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001034303780 709742140 /nfs/dbraw/zinc/74/21/40/709742140.db2.gz KNEDGIMNSGWJSF-OAHLLOKOSA-N 2 1 343.431 1.234 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](CCc2ccnn2C)C1 ZINC001034308897 709750429 /nfs/dbraw/zinc/75/04/29/709750429.db2.gz HQCSZYSPFPXKGM-MRXNPFEDSA-N 2 1 344.463 1.138 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](CCc2ccnn2C)C1 ZINC001034308897 709750433 /nfs/dbraw/zinc/75/04/33/709750433.db2.gz HQCSZYSPFPXKGM-MRXNPFEDSA-N 2 1 344.463 1.138 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC001061216887 709752425 /nfs/dbraw/zinc/75/24/25/709752425.db2.gz CSKFURTXMZEJOL-KRWDZBQOSA-N 2 1 345.491 1.862 20 0 EDADMP CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310312 709753732 /nfs/dbraw/zinc/75/37/32/709753732.db2.gz WGLHSWMIVXIODS-HOCLYGCPSA-N 2 1 343.431 1.183 20 0 EDADMP CC[C@@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310312 709753733 /nfs/dbraw/zinc/75/37/33/709753733.db2.gz WGLHSWMIVXIODS-HOCLYGCPSA-N 2 1 343.431 1.183 20 0 EDADMP Cc1cc(N(C)[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC001061218410 709777211 /nfs/dbraw/zinc/77/72/11/709777211.db2.gz DACZZQLSJKOBJF-IAGOWNOFSA-N 2 1 345.491 1.862 20 0 EDADMP Cc1cc(N(C)[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC001061218410 709777212 /nfs/dbraw/zinc/77/72/12/709777212.db2.gz DACZZQLSJKOBJF-IAGOWNOFSA-N 2 1 345.491 1.862 20 0 EDADMP CC[C@H](C[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1)OC ZINC001003015848 709802655 /nfs/dbraw/zinc/80/26/55/709802655.db2.gz FCBARFMHNPKZBU-HZPDHXFCSA-N 2 1 334.464 1.766 20 0 EDADMP COC[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340462 709803633 /nfs/dbraw/zinc/80/36/33/709803633.db2.gz NWVOJELLJAZGIQ-CVEARBPZSA-N 2 1 325.497 1.866 20 0 EDADMP Cc1nocc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034397190 709937206 /nfs/dbraw/zinc/93/72/06/709937206.db2.gz JHUHGAZDBNVRHF-RHSMWYFYSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nocc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034397190 709937209 /nfs/dbraw/zinc/93/72/09/709937209.db2.gz JHUHGAZDBNVRHF-RHSMWYFYSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nocc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397190 709937211 /nfs/dbraw/zinc/93/72/11/709937211.db2.gz JHUHGAZDBNVRHF-RHSMWYFYSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nocc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397190 709937212 /nfs/dbraw/zinc/93/72/12/709937212.db2.gz JHUHGAZDBNVRHF-RHSMWYFYSA-N 2 1 334.464 1.938 20 0 EDADMP Cn1nccc1C[N@@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034430994 709998891 /nfs/dbraw/zinc/99/88/91/709998891.db2.gz IMCXDDMOTDEPOF-QGZVFWFLSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1nccc1C[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034430994 709998895 /nfs/dbraw/zinc/99/88/95/709998895.db2.gz IMCXDDMOTDEPOF-QGZVFWFLSA-N 2 1 347.507 1.623 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CC3CC(F)(F)C3)CC2)O1 ZINC001003140563 710033539 /nfs/dbraw/zinc/03/35/39/710033539.db2.gz SKQKWXLNFNGEEP-IUODEOHRSA-N 2 1 345.434 1.331 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CC3CC(F)(F)C3)CC2)O1 ZINC001003140563 710033544 /nfs/dbraw/zinc/03/35/44/710033544.db2.gz SKQKWXLNFNGEEP-IUODEOHRSA-N 2 1 345.434 1.331 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034490064 710108763 /nfs/dbraw/zinc/10/87/63/710108763.db2.gz IUFOYIPNODTPRW-WMZOPIPTSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034490064 710108766 /nfs/dbraw/zinc/10/87/66/710108766.db2.gz IUFOYIPNODTPRW-WMZOPIPTSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490064 710108768 /nfs/dbraw/zinc/10/87/68/710108768.db2.gz IUFOYIPNODTPRW-WMZOPIPTSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490064 710108770 /nfs/dbraw/zinc/10/87/70/710108770.db2.gz IUFOYIPNODTPRW-WMZOPIPTSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1oncc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034490780 710110138 /nfs/dbraw/zinc/11/01/38/710110138.db2.gz NALBAWSRJNPIBQ-WBVHZDCISA-N 2 1 334.464 1.796 20 0 EDADMP Cc1oncc1C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034490780 710110139 /nfs/dbraw/zinc/11/01/39/710110139.db2.gz NALBAWSRJNPIBQ-WBVHZDCISA-N 2 1 334.464 1.796 20 0 EDADMP Cc1oncc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034490780 710110141 /nfs/dbraw/zinc/11/01/41/710110141.db2.gz NALBAWSRJNPIBQ-WBVHZDCISA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)sn1 ZINC001034526159 710177272 /nfs/dbraw/zinc/17/72/72/710177272.db2.gz VAFQIEDRHOXPSM-LSDHHAIUSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)sn1 ZINC001034526159 710177274 /nfs/dbraw/zinc/17/72/74/710177274.db2.gz VAFQIEDRHOXPSM-LSDHHAIUSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)sn1 ZINC001034526159 710177278 /nfs/dbraw/zinc/17/72/78/710177278.db2.gz VAFQIEDRHOXPSM-LSDHHAIUSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)sn1 ZINC001034526159 710177280 /nfs/dbraw/zinc/17/72/80/710177280.db2.gz VAFQIEDRHOXPSM-LSDHHAIUSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1csc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034526181 710177789 /nfs/dbraw/zinc/17/77/89/710177789.db2.gz VJNMIWKWQMEFTM-CABCVRRESA-N 2 1 336.505 1.874 20 0 EDADMP Cc1csc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001034526181 710177791 /nfs/dbraw/zinc/17/77/91/710177791.db2.gz VJNMIWKWQMEFTM-CABCVRRESA-N 2 1 336.505 1.874 20 0 EDADMP Cc1csc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034526181 710177793 /nfs/dbraw/zinc/17/77/93/710177793.db2.gz VJNMIWKWQMEFTM-CABCVRRESA-N 2 1 336.505 1.874 20 0 EDADMP Cc1csc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034526181 710177796 /nfs/dbraw/zinc/17/77/96/710177796.db2.gz VJNMIWKWQMEFTM-CABCVRRESA-N 2 1 336.505 1.874 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034529542 710184282 /nfs/dbraw/zinc/18/42/82/710184282.db2.gz ITYAHLSWNYJTFL-QGZVFWFLSA-N 2 1 344.463 1.404 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034529542 710184284 /nfs/dbraw/zinc/18/42/84/710184284.db2.gz ITYAHLSWNYJTFL-QGZVFWFLSA-N 2 1 344.463 1.404 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034538130 710210793 /nfs/dbraw/zinc/21/07/93/710210793.db2.gz JCLNDEMYGQVTQD-MSOLQXFVSA-N 2 1 347.507 1.765 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034538130 710210796 /nfs/dbraw/zinc/21/07/96/710210796.db2.gz JCLNDEMYGQVTQD-MSOLQXFVSA-N 2 1 347.507 1.765 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cnn(C)c2)C1 ZINC001034538130 710210801 /nfs/dbraw/zinc/21/08/01/710210801.db2.gz JCLNDEMYGQVTQD-MSOLQXFVSA-N 2 1 347.507 1.765 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001034538130 710210803 /nfs/dbraw/zinc/21/08/03/710210803.db2.gz JCLNDEMYGQVTQD-MSOLQXFVSA-N 2 1 347.507 1.765 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC001003318567 710247171 /nfs/dbraw/zinc/24/71/71/710247171.db2.gz LPJIEDPHPCJNGB-CVEARBPZSA-N 2 1 334.464 1.587 20 0 EDADMP CO[C@@H](C[NH+]1CCC(NC(=O)Cn2c[nH+]cc2C)CC1)C1CCC1 ZINC001003319089 710247651 /nfs/dbraw/zinc/24/76/51/710247651.db2.gz RBKKZHGVTFNKSZ-KRWDZBQOSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001034606770 710269904 /nfs/dbraw/zinc/26/99/04/710269904.db2.gz CUJHUVPLTHZJRP-ZOBUZTSGSA-N 2 1 334.464 1.903 20 0 EDADMP CCc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001034607749 710271491 /nfs/dbraw/zinc/27/14/91/710271491.db2.gz SAIZEGBQQSGYAH-AJNGGQMLSA-N 2 1 349.479 1.804 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccnn3C)CC2)CC[N@H+]1C ZINC001034649731 710326137 /nfs/dbraw/zinc/32/61/37/710326137.db2.gz RPGHSQILDYLXIS-UOVPBQLFSA-N 2 1 347.507 1.667 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003636867 710461649 /nfs/dbraw/zinc/46/16/49/710461649.db2.gz XUEKRCSCHZWGNC-RISCZKNCSA-N 2 1 337.493 1.125 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003636867 710461650 /nfs/dbraw/zinc/46/16/50/710461650.db2.gz XUEKRCSCHZWGNC-RISCZKNCSA-N 2 1 337.493 1.125 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001034672683 710605801 /nfs/dbraw/zinc/60/58/01/710605801.db2.gz RGYCBLXCNUYUFN-BQFCYCMXSA-N 2 1 345.491 1.786 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)C1CC[NH+](Cc2ccnn2C)CC1 ZINC001005663296 710894356 /nfs/dbraw/zinc/89/43/56/710894356.db2.gz XRFIPYZEKSIQRG-UHFFFAOYSA-N 2 1 345.491 1.471 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccn3)CC2)C1 ZINC001034734683 710917008 /nfs/dbraw/zinc/91/70/08/710917008.db2.gz VEUZKAQOKHYUEH-BRWVUGGUSA-N 2 1 330.476 1.940 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC001032960639 710970216 /nfs/dbraw/zinc/97/02/16/710970216.db2.gz YCQQABQVWCLJLR-SJLPKXTDSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC001032960639 710970220 /nfs/dbraw/zinc/97/02/20/710970220.db2.gz YCQQABQVWCLJLR-SJLPKXTDSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC001032960639 710970225 /nfs/dbraw/zinc/97/02/25/710970225.db2.gz YCQQABQVWCLJLR-SJLPKXTDSA-N 2 1 349.450 1.831 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1nncn1C ZINC001034776361 711052785 /nfs/dbraw/zinc/05/27/85/711052785.db2.gz QIDKSWUJUJTPIG-VGWMRTNUSA-N 2 1 348.495 1.235 20 0 EDADMP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001034786326 711090163 /nfs/dbraw/zinc/09/01/63/711090163.db2.gz MCLSDHVYOJQTFW-BXWFABGCSA-N 2 1 345.491 1.423 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2cnc(C)nc2)CC1 ZINC001034794414 711110984 /nfs/dbraw/zinc/11/09/84/711110984.db2.gz GTBNYSLIFJLCCJ-QAQDUYKDSA-N 2 1 342.447 1.507 20 0 EDADMP CCOC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001034792149 711118445 /nfs/dbraw/zinc/11/84/45/711118445.db2.gz GECNLPSOCXOFPY-YZMJHREJSA-N 2 1 337.508 1.770 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC001034792404 711119443 /nfs/dbraw/zinc/11/94/43/711119443.db2.gz IWQCZKPIBHDUFY-RBSFLKMASA-N 2 1 336.505 1.920 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034793285 711123023 /nfs/dbraw/zinc/12/30/23/711123023.db2.gz VJVQGYPHQPOKQP-XIRDDKMYSA-N 2 1 333.480 1.197 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)C1 ZINC001034798191 711133355 /nfs/dbraw/zinc/13/33/55/711133355.db2.gz ZPTNEFGGSBPGRP-KZNAEPCWSA-N 2 1 337.508 1.914 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)C1 ZINC001034798191 711133362 /nfs/dbraw/zinc/13/33/62/711133362.db2.gz ZPTNEFGGSBPGRP-KZNAEPCWSA-N 2 1 337.508 1.914 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003968746 711145023 /nfs/dbraw/zinc/14/50/23/711145023.db2.gz TZKLKWOWQBTEBU-OAHLLOKOSA-N 2 1 333.480 1.151 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)s1 ZINC001034885558 711290496 /nfs/dbraw/zinc/29/04/96/711290496.db2.gz WGCFTMKDYHWJOI-ZIAGYGMSSA-N 2 1 349.504 1.590 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)s1 ZINC001034885558 711290498 /nfs/dbraw/zinc/29/04/98/711290498.db2.gz WGCFTMKDYHWJOI-ZIAGYGMSSA-N 2 1 349.504 1.590 20 0 EDADMP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)on1 ZINC001034936028 711364370 /nfs/dbraw/zinc/36/43/70/711364370.db2.gz HSXVTPLXNZNQQP-WBVHZDCISA-N 2 1 334.464 1.936 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nccn1CC ZINC001034955038 711421446 /nfs/dbraw/zinc/42/14/46/711421446.db2.gz YKMYNSFKNUTVKS-SJORKVTESA-N 2 1 347.507 1.858 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)nc1C(F)F)C2 ZINC000922387799 711427865 /nfs/dbraw/zinc/42/78/65/711427865.db2.gz BAVGCSGFPHEBAJ-GKLJAUDBSA-N 2 1 342.434 1.927 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccnn2C)C1 ZINC001034958274 711431536 /nfs/dbraw/zinc/43/15/36/711431536.db2.gz GFIAJPCAOSSJQT-FUHWJXTLSA-N 2 1 347.507 1.479 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001034958859 711432572 /nfs/dbraw/zinc/43/25/72/711432572.db2.gz MQPDHHQWNOLUNI-SJORKVTESA-N 2 1 347.463 1.557 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001034958859 711432575 /nfs/dbraw/zinc/43/25/75/711432575.db2.gz MQPDHHQWNOLUNI-SJORKVTESA-N 2 1 347.463 1.557 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC001034958813 711432646 /nfs/dbraw/zinc/43/26/46/711432646.db2.gz MGLYGKKJLDTSFB-IAGOWNOFSA-N 2 1 339.443 1.936 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc3c(cnn3C)c1)C2 ZINC000922389826 711437884 /nfs/dbraw/zinc/43/78/84/711437884.db2.gz KOUQVBYMVIRFCR-VXIBKDFQSA-N 2 1 343.475 1.538 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(C)n(C)n2)CC[N@H+]1C ZINC001034941005 711445073 /nfs/dbraw/zinc/44/50/73/711445073.db2.gz KSXBIGIDNQMNLR-FGTMMUONSA-N 2 1 347.507 1.539 20 0 EDADMP COc1cncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001034972230 711452157 /nfs/dbraw/zinc/45/21/57/711452157.db2.gz DCLIAWKWVRBDLY-CVEARBPZSA-N 2 1 347.463 1.050 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(Cl)n1C)C2 ZINC000922391158 711455469 /nfs/dbraw/zinc/45/54/69/711455469.db2.gz UELMTFOCULBYPR-HGTKMLMNSA-N 2 1 326.872 1.643 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2C[C@@]3(C[N@H+](CC)[C@H]3C(C)C)C[C@H]2O)n1 ZINC000922395596 711469169 /nfs/dbraw/zinc/46/91/69/711469169.db2.gz UFPQLWYSQGHXQT-BGTYHANMSA-N 2 1 335.496 1.566 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)n1 ZINC000922395596 711469171 /nfs/dbraw/zinc/46/91/71/711469171.db2.gz UFPQLWYSQGHXQT-BGTYHANMSA-N 2 1 335.496 1.566 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(N(C)C)n3)C2)[C@H]1C(C)C ZINC000922395621 711469234 /nfs/dbraw/zinc/46/92/34/711469234.db2.gz XOMKGUMUPQSXDR-MTNOOBJLSA-N 2 1 347.507 1.502 20 0 EDADMP CCn1nnc(C)c1C[NH2+][C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922396062 711470802 /nfs/dbraw/zinc/47/08/02/711470802.db2.gz ZUFXKPYLBYVDSD-DDBAPUKQSA-N 2 1 335.496 1.566 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001004144770 711547013 /nfs/dbraw/zinc/54/70/13/711547013.db2.gz PWZGFGRJUADVKP-HNNXBMFYSA-N 2 1 332.448 1.123 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001004144770 711547016 /nfs/dbraw/zinc/54/70/16/711547016.db2.gz PWZGFGRJUADVKP-HNNXBMFYSA-N 2 1 332.448 1.123 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CCN(Cc2cnc(C)cn2)CC1 ZINC001004160302 711586148 /nfs/dbraw/zinc/58/61/48/711586148.db2.gz LLONITACIPMXDM-UHFFFAOYSA-N 2 1 328.420 1.071 20 0 EDADMP CO[C@@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004485322 711864707 /nfs/dbraw/zinc/86/47/07/711864707.db2.gz PVCATGKBUVIDMO-FUHWJXTLSA-N 2 1 348.491 1.929 20 0 EDADMP CO[C@@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004485322 711864708 /nfs/dbraw/zinc/86/47/08/711864708.db2.gz PVCATGKBUVIDMO-FUHWJXTLSA-N 2 1 348.491 1.929 20 0 EDADMP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004546065 711957311 /nfs/dbraw/zinc/95/73/11/711957311.db2.gz FWSNAXANPNDHHI-WMZOPIPTSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001004546065 711957313 /nfs/dbraw/zinc/95/73/13/711957313.db2.gz FWSNAXANPNDHHI-WMZOPIPTSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001004546065 711957314 /nfs/dbraw/zinc/95/73/14/711957314.db2.gz FWSNAXANPNDHHI-WMZOPIPTSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033153226 712174417 /nfs/dbraw/zinc/17/44/17/712174417.db2.gz UBQPASUWZBBDKY-ROUUACIJSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033153226 712174419 /nfs/dbraw/zinc/17/44/19/712174419.db2.gz UBQPASUWZBBDKY-ROUUACIJSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033153226 712174420 /nfs/dbraw/zinc/17/44/20/712174420.db2.gz UBQPASUWZBBDKY-ROUUACIJSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033153226 712174422 /nfs/dbraw/zinc/17/44/22/712174422.db2.gz UBQPASUWZBBDKY-ROUUACIJSA-N 2 1 347.507 1.716 20 0 EDADMP O=C([C@@H]1CCc2cncn2C1)N1CC[C@H]2C[N@@H+](CCF)C[C@H]2CC1 ZINC000946652509 712205167 /nfs/dbraw/zinc/20/51/67/712205167.db2.gz WAFYRIBHCFYQBC-OWCLPIDISA-N 2 1 334.439 1.585 20 0 EDADMP CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000357138046 282090014 /nfs/dbraw/zinc/09/00/14/282090014.db2.gz NPTMIJFFPXGYHM-GDBMZVCRSA-N 2 1 336.484 1.006 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)CC[C@@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000431527500 305078843 /nfs/dbraw/zinc/07/88/43/305078843.db2.gz DUIXKGGCQGLXIH-BBWFWOEESA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@H](C)O1 ZINC000431527500 305078844 /nfs/dbraw/zinc/07/88/44/305078844.db2.gz DUIXKGGCQGLXIH-BBWFWOEESA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@H](C)O1 ZINC000431527500 305078845 /nfs/dbraw/zinc/07/88/45/305078845.db2.gz DUIXKGGCQGLXIH-BBWFWOEESA-N 2 1 325.497 1.866 20 0 EDADMP Cc1cc(=O)n2nc(CN(C)CC[C@@H]3CCCC[N@H+]3C)sc2n1 ZINC000173949670 231077233 /nfs/dbraw/zinc/07/72/33/231077233.db2.gz DBVLHBCMNRXUGN-ZDUSSCGKSA-N 2 1 335.477 1.766 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000131380877 282203568 /nfs/dbraw/zinc/20/35/68/282203568.db2.gz HKWNQKHELDSQQC-KRWDZBQOSA-N 2 1 333.480 1.386 20 0 EDADMP C[N@H+](CCN1CC[NH+]([C@H]2CCCCNC2=O)CC1)Cc1ccccc1 ZINC000153642221 529909180 /nfs/dbraw/zinc/90/91/80/529909180.db2.gz ADDWCNPCFGPZHS-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP C[N@@H+](CCN1CC[NH+]([C@H]2CCCCNC2=O)CC1)Cc1ccccc1 ZINC000153642221 529909182 /nfs/dbraw/zinc/90/91/82/529909182.db2.gz ADDWCNPCFGPZHS-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cn2cc[nH+]c12 ZINC000559594246 306256910 /nfs/dbraw/zinc/25/69/10/306256910.db2.gz IJIOEJGWRLWGKZ-CQSZACIVSA-N 2 1 343.431 1.428 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cn2cc[nH+]c12 ZINC000559594246 306256911 /nfs/dbraw/zinc/25/69/11/306256911.db2.gz IJIOEJGWRLWGKZ-CQSZACIVSA-N 2 1 343.431 1.428 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[NH2+]C[C@@H]2CCSC2)cc[nH+]1 ZINC000354927580 282324831 /nfs/dbraw/zinc/32/48/31/282324831.db2.gz RZSJTZVJBYMUCQ-MJBXVCDLSA-N 2 1 339.484 1.802 20 0 EDADMP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H](C)CS(C)(=O)=O ZINC000093390131 539505364 /nfs/dbraw/zinc/50/53/64/539505364.db2.gz GYZBFGFVBQZRCT-HNNXBMFYSA-N 2 1 342.505 1.882 20 0 EDADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H](C)CS(C)(=O)=O ZINC000093390131 539505369 /nfs/dbraw/zinc/50/53/69/539505369.db2.gz GYZBFGFVBQZRCT-HNNXBMFYSA-N 2 1 342.505 1.882 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H](CC(C)C)N1CCOCC1)C(C)C ZINC000102551535 219210355 /nfs/dbraw/zinc/21/03/55/219210355.db2.gz UYMMXTFKQGRMGB-QGZVFWFLSA-N 2 1 342.528 1.763 20 0 EDADMP CC[N@H+](CCNC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1)C(C)C ZINC000102551535 219210356 /nfs/dbraw/zinc/21/03/56/219210356.db2.gz UYMMXTFKQGRMGB-QGZVFWFLSA-N 2 1 342.528 1.763 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1)C(C)C ZINC000102551535 219210358 /nfs/dbraw/zinc/21/03/58/219210358.db2.gz UYMMXTFKQGRMGB-QGZVFWFLSA-N 2 1 342.528 1.763 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000436126285 539569564 /nfs/dbraw/zinc/56/95/64/539569564.db2.gz QPFUROFYESLETD-CABCVRRESA-N 2 1 328.501 1.203 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000561151156 306282898 /nfs/dbraw/zinc/28/28/98/306282898.db2.gz GDTJWVUYSZXWMI-WNRNVDISSA-N 2 1 328.460 1.558 20 0 EDADMP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561157099 306283375 /nfs/dbraw/zinc/28/33/75/306283375.db2.gz USWUJJRTPOZTHP-LJQANCHMSA-N 2 1 345.487 1.737 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)COc1ccc2c(c1)OCO2 ZINC000339073636 539699178 /nfs/dbraw/zinc/69/91/78/539699178.db2.gz CDRBERKZRXYEJN-QLFBSQMISA-N 2 1 334.416 1.371 20 0 EDADMP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000152461667 539813792 /nfs/dbraw/zinc/81/37/92/539813792.db2.gz NCIUUIQQUSSZBP-JYJNAYRXSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000152461667 539813799 /nfs/dbraw/zinc/81/37/99/539813799.db2.gz NCIUUIQQUSSZBP-JYJNAYRXSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000152461667 539813801 /nfs/dbraw/zinc/81/38/01/539813801.db2.gz NCIUUIQQUSSZBP-JYJNAYRXSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000152461667 539813807 /nfs/dbraw/zinc/81/38/07/539813807.db2.gz NCIUUIQQUSSZBP-JYJNAYRXSA-N 2 1 326.485 1.221 20 0 EDADMP CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166264952 539918787 /nfs/dbraw/zinc/91/87/87/539918787.db2.gz AMVDLVUZVPWPLW-DLBZAZTESA-N 2 1 337.489 1.452 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353521344 539934174 /nfs/dbraw/zinc/93/41/74/539934174.db2.gz RFOVPBMDFIQMDK-KSZLIROESA-N 2 1 336.524 1.392 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000562753806 306307810 /nfs/dbraw/zinc/30/78/10/306307810.db2.gz JWKGSUAFYGZCPH-AWEZNQCLSA-N 2 1 344.459 1.214 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000362174213 540004850 /nfs/dbraw/zinc/00/48/50/540004850.db2.gz VFLSAQYXGYYZOA-XSLAGTTESA-N 2 1 327.513 1.120 20 0 EDADMP CC[C@H]1CN(C)CCN1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000563014677 306315961 /nfs/dbraw/zinc/31/59/61/306315961.db2.gz GJKJCBIWNFFQSP-INIZCTEOSA-N 2 1 331.464 1.786 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000563145519 306320242 /nfs/dbraw/zinc/32/02/42/306320242.db2.gz XUNYIQOQBRZYMG-LZWOXQAQSA-N 2 1 338.496 1.142 20 0 EDADMP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000563208050 306323621 /nfs/dbraw/zinc/32/36/21/306323621.db2.gz VKAYLVWRLNITOR-ZSGPHXLJSA-N 2 1 330.476 1.796 20 0 EDADMP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000563208050 306323622 /nfs/dbraw/zinc/32/36/22/306323622.db2.gz VKAYLVWRLNITOR-ZSGPHXLJSA-N 2 1 330.476 1.796 20 0 EDADMP O=C(CCc1c[nH]cn1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000281224216 540075610 /nfs/dbraw/zinc/07/56/10/540075610.db2.gz OMIWVHFJTGBXCD-WMZOPIPTSA-N 2 1 342.443 1.342 20 0 EDADMP O=C(CCc1cnc[nH]1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000281224216 540075612 /nfs/dbraw/zinc/07/56/12/540075612.db2.gz OMIWVHFJTGBXCD-WMZOPIPTSA-N 2 1 342.443 1.342 20 0 EDADMP O=C(CCc1cnc[nH]1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000281224216 540075613 /nfs/dbraw/zinc/07/56/13/540075613.db2.gz OMIWVHFJTGBXCD-WMZOPIPTSA-N 2 1 342.443 1.342 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)Nc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000110065589 540192511 /nfs/dbraw/zinc/19/25/11/540192511.db2.gz PLECOQWJYLYJHZ-IRXDYDNUSA-N 2 1 344.459 1.430 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NCc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000110065589 540192513 /nfs/dbraw/zinc/19/25/13/540192513.db2.gz PLECOQWJYLYJHZ-IRXDYDNUSA-N 2 1 344.459 1.430 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NCc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000110065589 540192516 /nfs/dbraw/zinc/19/25/16/540192516.db2.gz PLECOQWJYLYJHZ-IRXDYDNUSA-N 2 1 344.459 1.430 20 0 EDADMP CC(C)(O)[C@@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000245808374 535320250 /nfs/dbraw/zinc/32/02/50/535320250.db2.gz QITOYIIIBJSASE-HOTGVXAUSA-N 2 1 328.497 1.474 20 0 EDADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000123857368 138321812 /nfs/dbraw/zinc/32/18/12/138321812.db2.gz UJQGDFMJWGJZFB-AWEZNQCLSA-N 2 1 330.476 1.979 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000344546876 283220131 /nfs/dbraw/zinc/22/01/31/283220131.db2.gz SCMZRATXYKGBKS-QGZVFWFLSA-N 2 1 342.528 1.717 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000364060884 283220238 /nfs/dbraw/zinc/22/02/38/283220238.db2.gz RTHMWVLMORDREW-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[N@H+]1C1CC1 ZINC000189218969 291137003 /nfs/dbraw/zinc/13/70/03/291137003.db2.gz MFOLKXDGEBIGEO-ZNMIVQPWSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[NH+]1C1CC1 ZINC000189218969 291137004 /nfs/dbraw/zinc/13/70/04/291137004.db2.gz MFOLKXDGEBIGEO-ZNMIVQPWSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[NH+]1C1CC1 ZINC000189218969 291137008 /nfs/dbraw/zinc/13/70/08/291137008.db2.gz MFOLKXDGEBIGEO-ZNMIVQPWSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[NH2+]C2CCCCCC2)[C@H](C)C1 ZINC000564064087 306354554 /nfs/dbraw/zinc/35/45/54/306354554.db2.gz GFUMVMLEPMTVML-HZPDHXFCSA-N 2 1 340.512 1.395 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000413846373 304080502 /nfs/dbraw/zinc/08/05/02/304080502.db2.gz TYZPRZBAXQZSNV-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413987651 304093155 /nfs/dbraw/zinc/09/31/55/304093155.db2.gz YBLCYMLAPWLXAB-AEFFLSMTSA-N 2 1 345.487 1.327 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000414002471 304093600 /nfs/dbraw/zinc/09/36/00/304093600.db2.gz AQDHYFBXYTWLKB-QGZVFWFLSA-N 2 1 330.476 1.409 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000130781369 223176628 /nfs/dbraw/zinc/17/66/28/223176628.db2.gz CQNJITBPIJAYDK-ZDUSSCGKSA-N 2 1 343.431 1.640 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000130781369 223176630 /nfs/dbraw/zinc/17/66/30/223176630.db2.gz CQNJITBPIJAYDK-ZDUSSCGKSA-N 2 1 343.431 1.640 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000414709583 304130725 /nfs/dbraw/zinc/13/07/25/304130725.db2.gz RHGXFRHJLXUGHV-CQSZACIVSA-N 2 1 332.448 1.335 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000414710347 304131325 /nfs/dbraw/zinc/13/13/25/304131325.db2.gz SICHCEKSUTUHSU-LSDHHAIUSA-N 2 1 346.475 1.581 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414717340 304132250 /nfs/dbraw/zinc/13/22/50/304132250.db2.gz PTPIPUIHMBOIEK-AWEZNQCLSA-N 2 1 332.448 1.445 20 0 EDADMP COc1cc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc2c1OCCO2 ZINC000414990552 304148683 /nfs/dbraw/zinc/14/86/83/304148683.db2.gz AACCVJZVQCJDFZ-GFCCVEGCSA-N 2 1 328.359 1.801 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414998934 304149789 /nfs/dbraw/zinc/14/97/89/304149789.db2.gz RDHJFNYQLKCKKW-MRXNPFEDSA-N 2 1 332.448 1.320 20 0 EDADMP CN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cccs1 ZINC000566967921 306434697 /nfs/dbraw/zinc/43/46/97/306434697.db2.gz WMGXKTZMSXLOHZ-FUNVUKJBSA-N 2 1 329.491 1.241 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1OC ZINC000415054481 304155128 /nfs/dbraw/zinc/15/51/28/304155128.db2.gz MCWSJUGKVDHNLP-INIZCTEOSA-N 2 1 337.464 1.673 20 0 EDADMP COc1cc2c(cc1C[NH2+]C1CCC([NH+]3CCNCC3)CC1)OCO2 ZINC000415056214 304155134 /nfs/dbraw/zinc/15/51/34/304155134.db2.gz PNIKLECPAAEWBF-UHFFFAOYSA-N 2 1 347.459 1.730 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000415092644 304159292 /nfs/dbraw/zinc/15/92/92/304159292.db2.gz UBHQZPKDRRRCPA-RTBURBONSA-N 3 1 344.503 1.473 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000415092644 304159293 /nfs/dbraw/zinc/15/92/93/304159293.db2.gz UBHQZPKDRRRCPA-RTBURBONSA-N 2 1 344.503 1.473 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000415092644 304159294 /nfs/dbraw/zinc/15/92/94/304159294.db2.gz UBHQZPKDRRRCPA-RTBURBONSA-N 2 1 344.503 1.473 20 0 EDADMP C[C@H](Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[NH2+]C1 ZINC000415116787 304161408 /nfs/dbraw/zinc/16/14/08/304161408.db2.gz IERIYWBGZOYXBN-ZOBUZTSGSA-N 2 1 330.476 1.794 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000415136031 304163151 /nfs/dbraw/zinc/16/31/51/304163151.db2.gz WZNWJIBWHJPSTA-HNNXBMFYSA-N 2 1 346.475 1.535 20 0 EDADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000195519291 139019361 /nfs/dbraw/zinc/01/93/61/139019361.db2.gz OVZNTEJJEDHOOB-UHFFFAOYSA-N 2 1 325.403 1.855 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236578554 139026532 /nfs/dbraw/zinc/02/65/32/139026532.db2.gz KWNNRCBFINGZAZ-QZTJIDSGSA-N 2 1 333.476 1.767 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236578554 139026533 /nfs/dbraw/zinc/02/65/33/139026533.db2.gz KWNNRCBFINGZAZ-QZTJIDSGSA-N 2 1 333.476 1.767 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000078647898 217094192 /nfs/dbraw/zinc/09/41/92/217094192.db2.gz NMTSFYHUMOWQAL-MJGOQNOKSA-N 2 1 344.503 1.403 20 0 EDADMP Cc1c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000236801594 139031863 /nfs/dbraw/zinc/03/18/63/139031863.db2.gz JNWWSSWQWJATKO-OAHLLOKOSA-N 2 1 348.495 1.219 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)[C@@H](C)C1 ZINC000236863744 139033668 /nfs/dbraw/zinc/03/36/68/139033668.db2.gz ICLLMPJZLVWGHU-XHSDSOJGSA-N 2 1 343.537 1.335 20 0 EDADMP COc1ccc([C@@H]2[C@H](CNC(=O)[C@@H]3COCC[NH2+]3)CCC[N@@H+]2C)cc1 ZINC000237305254 139047267 /nfs/dbraw/zinc/04/72/67/139047267.db2.gz KXTWPYWSDMCRQN-RYQLBKOJSA-N 2 1 347.459 1.183 20 0 EDADMP COc1ccc([C@@H]2[C@H](CNC(=O)[C@@H]3COCC[NH2+]3)CCC[N@H+]2C)cc1 ZINC000237305254 139047268 /nfs/dbraw/zinc/04/72/68/139047268.db2.gz KXTWPYWSDMCRQN-RYQLBKOJSA-N 2 1 347.459 1.183 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000237311891 139047404 /nfs/dbraw/zinc/04/74/04/139047404.db2.gz XKUMGEMRTJDDNR-AWEZNQCLSA-N 2 1 329.510 1.218 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415171196 304170249 /nfs/dbraw/zinc/17/02/49/304170249.db2.gz XIQITBLWOHAFGE-XKQJLSEDSA-N 2 1 344.459 1.730 20 0 EDADMP C[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000237452501 139051707 /nfs/dbraw/zinc/05/17/07/139051707.db2.gz WJFSKGYSPIGXHO-YLJYHZDGSA-N 2 1 344.503 1.846 20 0 EDADMP C[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000237578968 139054624 /nfs/dbraw/zinc/05/46/24/139054624.db2.gz XPRQLZNFDIARKE-SJORKVTESA-N 2 1 330.476 1.013 20 0 EDADMP [NH3+]CCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000237853164 139061980 /nfs/dbraw/zinc/06/19/80/139061980.db2.gz QYEMPTZJGKINNM-UHFFFAOYSA-N 2 1 340.265 1.879 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000111794363 220191962 /nfs/dbraw/zinc/19/19/62/220191962.db2.gz BBKJBZNBVJZMOE-ROUUACIJSA-N 2 1 348.491 1.699 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000245409853 139072617 /nfs/dbraw/zinc/07/26/17/139072617.db2.gz OGFSQHYZYGUNCU-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000245409853 139072618 /nfs/dbraw/zinc/07/26/18/139072618.db2.gz OGFSQHYZYGUNCU-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000245409853 139072619 /nfs/dbraw/zinc/07/26/19/139072619.db2.gz OGFSQHYZYGUNCU-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000245409853 139072620 /nfs/dbraw/zinc/07/26/20/139072620.db2.gz OGFSQHYZYGUNCU-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000567823409 306464558 /nfs/dbraw/zinc/46/45/58/306464558.db2.gz XKDUQDFUGQHEPW-QGZVFWFLSA-N 2 1 341.459 1.985 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@](C)(O)C1 ZINC000245940887 139090582 /nfs/dbraw/zinc/09/05/82/139090582.db2.gz QZGIRONEBFKKCO-KPFFTGBYSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@](C)(O)C1 ZINC000245940887 139090583 /nfs/dbraw/zinc/09/05/83/139090583.db2.gz QZGIRONEBFKKCO-KPFFTGBYSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@](C)(O)C1 ZINC000245940887 139090584 /nfs/dbraw/zinc/09/05/84/139090584.db2.gz QZGIRONEBFKKCO-KPFFTGBYSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000246288667 139102503 /nfs/dbraw/zinc/10/25/03/139102503.db2.gz NAYYOOWHTITXFH-WXSAJPJJSA-N 2 1 333.451 1.961 20 0 EDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000246915542 139126815 /nfs/dbraw/zinc/12/68/15/139126815.db2.gz GLTXDILLFCBSCW-KGLIPLIRSA-N 2 1 325.478 1.587 20 0 EDADMP CC[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000246897823 139126033 /nfs/dbraw/zinc/12/60/33/139126033.db2.gz FRGNJXBCKQCUBP-AHRSYUTCSA-N 3 1 331.504 1.726 20 0 EDADMP CC[NH+]1CC[C@H](NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000246897823 139126034 /nfs/dbraw/zinc/12/60/34/139126034.db2.gz FRGNJXBCKQCUBP-AHRSYUTCSA-N 3 1 331.504 1.726 20 0 EDADMP CC[NH+]1CC[C@H](NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000246897823 139126035 /nfs/dbraw/zinc/12/60/35/139126035.db2.gz FRGNJXBCKQCUBP-AHRSYUTCSA-N 3 1 331.504 1.726 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@H](C)C1 ZINC000246897823 139126036 /nfs/dbraw/zinc/12/60/36/139126036.db2.gz FRGNJXBCKQCUBP-AHRSYUTCSA-N 3 1 331.504 1.726 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000568167734 306474166 /nfs/dbraw/zinc/47/41/66/306474166.db2.gz MOWCCKUFDSZJSE-CYBMUJFWSA-N 2 1 336.461 1.612 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+](C)CC)[C@H](C)C1 ZINC000247218343 139141020 /nfs/dbraw/zinc/14/10/20/139141020.db2.gz MWHJXNVVIJWZKX-HZPDHXFCSA-N 2 1 328.501 1.374 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NCC[N@H+](C)CC)[C@H](C)C1 ZINC000247218343 139141021 /nfs/dbraw/zinc/14/10/21/139141021.db2.gz MWHJXNVVIJWZKX-HZPDHXFCSA-N 2 1 328.501 1.374 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+](C)CC)[C@H](C)C1 ZINC000247218343 139141022 /nfs/dbraw/zinc/14/10/22/139141022.db2.gz MWHJXNVVIJWZKX-HZPDHXFCSA-N 2 1 328.501 1.374 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]3CCC[C@@H]32)C1 ZINC000247694590 139154181 /nfs/dbraw/zinc/15/41/81/139154181.db2.gz WMRHDELWPDOYEU-KSZLIROESA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)C1 ZINC000247694590 139154182 /nfs/dbraw/zinc/15/41/82/139154182.db2.gz WMRHDELWPDOYEU-KSZLIROESA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)C1 ZINC000247694590 139154183 /nfs/dbraw/zinc/15/41/83/139154183.db2.gz WMRHDELWPDOYEU-KSZLIROESA-N 2 1 337.508 1.724 20 0 EDADMP CN(C)C(=O)Cc1nc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cs1 ZINC000247974808 139156643 /nfs/dbraw/zinc/15/66/43/139156643.db2.gz HROYVWSCFQFPDE-UKRRQHHQSA-N 2 1 336.505 1.690 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000248970115 139182020 /nfs/dbraw/zinc/18/20/20/139182020.db2.gz GMQDMLQGOBFAIQ-SJLPKXTDSA-N 2 1 348.491 1.263 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000248970115 139182021 /nfs/dbraw/zinc/18/20/21/139182021.db2.gz GMQDMLQGOBFAIQ-SJLPKXTDSA-N 2 1 348.491 1.263 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000248970115 139182022 /nfs/dbraw/zinc/18/20/22/139182022.db2.gz GMQDMLQGOBFAIQ-SJLPKXTDSA-N 2 1 348.491 1.263 20 0 EDADMP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000261597745 139209412 /nfs/dbraw/zinc/20/94/12/139209412.db2.gz AIJBDRSMZXYJIS-HNNXBMFYSA-N 2 1 332.448 1.029 20 0 EDADMP Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000261597745 139209413 /nfs/dbraw/zinc/20/94/13/139209413.db2.gz AIJBDRSMZXYJIS-HNNXBMFYSA-N 2 1 332.448 1.029 20 0 EDADMP CN(C(=O)c1csc(C[NH3+])n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261539305 139208700 /nfs/dbraw/zinc/20/87/00/139208700.db2.gz CBNVHBWLKYWJBZ-CQSZACIVSA-N 2 1 330.457 1.948 20 0 EDADMP CN(C(=O)c1csc(C[NH3+])n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539305 139208701 /nfs/dbraw/zinc/20/87/01/139208701.db2.gz CBNVHBWLKYWJBZ-CQSZACIVSA-N 2 1 330.457 1.948 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000261608823 139210580 /nfs/dbraw/zinc/21/05/80/139210580.db2.gz DGTMGEQKYWHVFW-OAHLLOKOSA-N 2 1 328.416 1.629 20 0 EDADMP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261613746 139211103 /nfs/dbraw/zinc/21/11/03/139211103.db2.gz CJYXHNKHYHPCNG-AUUYWEPGSA-N 2 1 347.459 1.176 20 0 EDADMP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261613746 139211104 /nfs/dbraw/zinc/21/11/04/139211104.db2.gz CJYXHNKHYHPCNG-AUUYWEPGSA-N 2 1 347.459 1.176 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000261694237 139218130 /nfs/dbraw/zinc/21/81/30/139218130.db2.gz NZPWUQXNASTHIP-WBVHZDCISA-N 2 1 328.460 1.980 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000261718728 139220188 /nfs/dbraw/zinc/22/01/88/139220188.db2.gz FAGBMYGSPGTLJU-JFIYKMOQSA-N 2 1 330.476 1.171 20 0 EDADMP [NH3+]C1(c2noc(CC[NH+]3CCN(c4ccccn4)CC3)n2)CCCC1 ZINC000261765155 139224112 /nfs/dbraw/zinc/22/41/12/139224112.db2.gz MRMHTJQXTVEZJA-UHFFFAOYSA-N 2 1 342.447 1.557 20 0 EDADMP CN(CCc1ccc(Br)cc1)Cc1noc(C[NH3+])n1 ZINC000261894967 139234855 /nfs/dbraw/zinc/23/48/55/139234855.db2.gz ATIPSOAEWGRSHP-UHFFFAOYSA-N 2 1 325.210 1.965 20 0 EDADMP CCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000262042514 139246111 /nfs/dbraw/zinc/24/61/11/139246111.db2.gz HRUIPNSIQWDRMX-INIZCTEOSA-N 2 1 346.475 1.548 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1csc(CC[NH3+])n1 ZINC000262056894 139247140 /nfs/dbraw/zinc/24/71/40/139247140.db2.gz VMYCPCRXDVPRCW-AWEZNQCLSA-N 2 1 346.456 1.440 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415514565 304226067 /nfs/dbraw/zinc/22/60/67/304226067.db2.gz ZZKSLPOZCBLQBE-JTQLQIEISA-N 2 1 326.828 1.051 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262109205 139251516 /nfs/dbraw/zinc/25/15/16/139251516.db2.gz FGJXFDSZGJYPOU-FCEWJHQRSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262109205 139251517 /nfs/dbraw/zinc/25/15/17/139251517.db2.gz FGJXFDSZGJYPOU-FCEWJHQRSA-N 2 1 345.487 1.912 20 0 EDADMP CCOCc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OC ZINC000262116205 139252186 /nfs/dbraw/zinc/25/21/86/139252186.db2.gz LFRKBYDFNMTBJE-GOSISDBHSA-N 2 1 333.476 1.711 20 0 EDADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262136857 139254056 /nfs/dbraw/zinc/25/40/56/139254056.db2.gz OWEJLFWPVAMTOU-IBGZPJMESA-N 2 1 325.460 1.411 20 0 EDADMP COc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1OC ZINC000262130411 139253626 /nfs/dbraw/zinc/25/36/26/139253626.db2.gz YCFUMZLVVMFCNC-OAHLLOKOSA-N 2 1 335.448 1.523 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417001690 251126556 /nfs/dbraw/zinc/12/65/56/251126556.db2.gz FDOCOHXWSRAYDR-WMZOPIPTSA-N 2 1 328.460 1.296 20 0 EDADMP CC[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000417005912 251126876 /nfs/dbraw/zinc/12/68/76/251126876.db2.gz FBFRYRFATFLEEE-CEXWTWQISA-N 2 1 342.487 1.684 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H](C)C3C[NH2+]C3)CC2)cs1 ZINC000262372338 139273943 /nfs/dbraw/zinc/27/39/43/139273943.db2.gz LWGPWSBBGAESAN-GFCCVEGCSA-N 2 1 336.505 1.635 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000262380636 139274674 /nfs/dbraw/zinc/27/46/74/139274674.db2.gz LJJWCGTYDYZYRF-KSZLIROESA-N 2 1 344.503 1.701 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000417595212 251201594 /nfs/dbraw/zinc/20/15/94/251201594.db2.gz XRAORLDUTDTDKU-WBVHZDCISA-N 2 1 334.464 1.185 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC(C[NH3+])CC2)[C@H](C)C1 ZINC000417669077 251221811 /nfs/dbraw/zinc/22/18/11/251221811.db2.gz KTMJVKWYNYUKHE-WBVHZDCISA-N 2 1 340.512 1.504 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC2(C)CC[NH2+]CC2)[C@@H](C)C1 ZINC000417672275 251222692 /nfs/dbraw/zinc/22/26/92/251222692.db2.gz SFJBGXJCXXEKLV-HOTGVXAUSA-N 2 1 340.512 1.565 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262444418 139279410 /nfs/dbraw/zinc/27/94/10/139279410.db2.gz TXHPBSKECNAIGR-KSZLIROESA-N 2 1 344.503 1.701 20 0 EDADMP C[C@@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417731120 251247219 /nfs/dbraw/zinc/24/72/19/251247219.db2.gz RKKKTGFVTDQSAA-KRWDZBQOSA-N 2 1 348.491 1.515 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)C[NH+]1CCOCC1 ZINC000417739417 251250498 /nfs/dbraw/zinc/25/04/98/251250498.db2.gz ZGUFDPBFUYNKRC-JYJNAYRXSA-N 2 1 326.485 1.019 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417744986 251252734 /nfs/dbraw/zinc/25/27/34/251252734.db2.gz DUBOKHOYYVMHQG-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@](C)(F)C2)CC1 ZINC000417817123 251283571 /nfs/dbraw/zinc/28/35/71/251283571.db2.gz VIZFRCGPGVULKL-KRWDZBQOSA-N 2 1 344.475 1.219 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417992546 251318629 /nfs/dbraw/zinc/31/86/29/251318629.db2.gz WPUINTXULXFZOK-QGZVFWFLSA-N 2 1 347.507 1.101 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417990921 251318984 /nfs/dbraw/zinc/31/89/84/251318984.db2.gz JYOLLZOVIUFVSZ-CABCVRRESA-N 2 1 326.391 1.747 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417990921 251318988 /nfs/dbraw/zinc/31/89/88/251318988.db2.gz JYOLLZOVIUFVSZ-CABCVRRESA-N 2 1 326.391 1.747 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NCC2(C)CC[NH2+]CC2)CCCO1 ZINC000418123439 251334408 /nfs/dbraw/zinc/33/44/08/251334408.db2.gz YWVTZZZYLAYOOH-HNNXBMFYSA-N 2 1 326.485 1.176 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418423402 251366846 /nfs/dbraw/zinc/36/68/46/251366846.db2.gz CEOYABVZKGPEGU-YYIAUSFCSA-N 2 1 340.512 1.643 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418423402 251366850 /nfs/dbraw/zinc/36/68/50/251366850.db2.gz CEOYABVZKGPEGU-YYIAUSFCSA-N 2 1 340.512 1.643 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000418427105 251368879 /nfs/dbraw/zinc/36/88/79/251368879.db2.gz AIICDKFEIBMWFO-OAHLLOKOSA-N 2 1 326.485 1.400 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H](C[NH3+])CC(C)C)CC[N@H+]1CCOC ZINC000418427580 251369035 /nfs/dbraw/zinc/36/90/35/251369035.db2.gz OHKGNAKJBXIPES-JKSUJKDBSA-N 2 1 328.501 1.502 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000418195398 251352550 /nfs/dbraw/zinc/35/25/50/251352550.db2.gz FWHCAFJUJGKDBE-IMJJTQAJSA-N 2 1 326.485 1.253 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC000418201978 251355873 /nfs/dbraw/zinc/35/58/73/251355873.db2.gz SWZDWAREZSLDBB-HNNXBMFYSA-N 2 1 331.464 1.741 20 0 EDADMP CC[NH+](CC)CCOC1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418534294 251377086 /nfs/dbraw/zinc/37/70/86/251377086.db2.gz AGEFCFYQSGIUAS-UHFFFAOYSA-N 2 1 336.427 1.113 20 0 EDADMP C[C@@H](CCCC[NH3+])NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418688751 251386314 /nfs/dbraw/zinc/38/63/14/251386314.db2.gz FHFRGNXFDXUYKH-QFBILLFUSA-N 2 1 348.491 1.440 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000262642279 139292541 /nfs/dbraw/zinc/29/25/41/139292541.db2.gz LOOPJEHEDAGHGR-NVXWUHKLSA-N 2 1 332.492 1.687 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262658709 139293802 /nfs/dbraw/zinc/29/38/02/139293802.db2.gz WAWSENTVISFAGZ-IAGOWNOFSA-N 2 1 330.476 1.890 20 0 EDADMP C[NH2+]CCCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262648909 139292949 /nfs/dbraw/zinc/29/29/49/139292949.db2.gz PVWVUFPYTMQRER-HNNXBMFYSA-N 2 1 332.448 1.322 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000262669017 139294900 /nfs/dbraw/zinc/29/49/00/139294900.db2.gz QSWYEIGAJFACDU-MAUKXSAKSA-N 2 1 332.448 1.592 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NCC[C@H]2CC[NH2+]C2)n1 ZINC000420203438 251641942 /nfs/dbraw/zinc/64/19/42/251641942.db2.gz ZTSIMJVXRGVYGY-INMHGKMJSA-N 2 1 333.480 1.347 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000262699884 139297305 /nfs/dbraw/zinc/29/73/05/139297305.db2.gz HGQKZAAYDXHJDF-FQEVSTJZSA-N 2 1 346.519 1.958 20 0 EDADMP C[C@H](CC(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000262738572 139300101 /nfs/dbraw/zinc/30/01/01/139300101.db2.gz DAZWVHCCMAZXOR-TZMCWYRMSA-N 2 1 342.447 1.895 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@H]1CC[NH2+]C1 ZINC000422901704 252017150 /nfs/dbraw/zinc/01/71/50/252017150.db2.gz LQFBZVQXQWHAHK-WBAXXEDZSA-N 2 1 331.460 1.683 20 0 EDADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)COC2CC[NH2+]CC2)c1 ZINC000423352678 252050900 /nfs/dbraw/zinc/05/09/00/252050900.db2.gz AFMXVCUGTMAWSH-UHFFFAOYSA-N 2 1 333.476 1.912 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423413973 252053762 /nfs/dbraw/zinc/05/37/62/252053762.db2.gz BJOKJNXSSICYCK-ILXRZTDVSA-N 2 1 331.464 1.196 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000423735713 252068217 /nfs/dbraw/zinc/06/82/17/252068217.db2.gz RZCGOBYJOVQLEK-HZPDHXFCSA-N 2 1 334.464 1.116 20 0 EDADMP C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1c[nH+]ccc1N ZINC000422904630 252018186 /nfs/dbraw/zinc/01/81/86/252018186.db2.gz XSBJFZBBQOVFBO-NEPJUHHUSA-N 2 1 331.372 1.313 20 0 EDADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424151488 252145380 /nfs/dbraw/zinc/14/53/80/252145380.db2.gz HPYIGZKZEWCNKB-HUUCEWRRSA-N 2 1 343.435 1.012 20 0 EDADMP CN(C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000424154772 252147887 /nfs/dbraw/zinc/14/78/87/252147887.db2.gz LXLRPAWBRGQDSF-UKRRQHHQSA-N 2 1 331.464 1.196 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000424428907 252226378 /nfs/dbraw/zinc/22/63/78/252226378.db2.gz VISFGBNNJHICMT-OAHLLOKOSA-N 2 1 332.448 1.640 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000424434224 252228358 /nfs/dbraw/zinc/22/83/58/252228358.db2.gz DGZFGNISPRUOKG-ZDUSSCGKSA-N 2 1 332.448 1.240 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000424439137 252231299 /nfs/dbraw/zinc/23/12/99/252231299.db2.gz RELDKQIRHRLMQS-UHFFFAOYSA-N 2 1 347.463 1.082 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000424470711 252242559 /nfs/dbraw/zinc/24/25/59/252242559.db2.gz SEEVTUIGPORQAF-LJQANCHMSA-N 2 1 344.459 1.337 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000424475010 252244713 /nfs/dbraw/zinc/24/47/13/252244713.db2.gz YIEYZUPQLXNHBU-SJPCQFCGSA-N 2 1 344.459 1.476 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC000337651422 285058412 /nfs/dbraw/zinc/05/84/12/285058412.db2.gz KIWXGJPTGMWICF-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000337651422 285058416 /nfs/dbraw/zinc/05/84/16/285058416.db2.gz KIWXGJPTGMWICF-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000337651422 285058420 /nfs/dbraw/zinc/05/84/20/285058420.db2.gz KIWXGJPTGMWICF-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000333862105 296362115 /nfs/dbraw/zinc/36/21/15/296362115.db2.gz QDJCZFUOHABYNF-CABCVRRESA-N 2 1 334.464 1.315 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000097406649 219023164 /nfs/dbraw/zinc/02/31/64/219023164.db2.gz MRWFRPWWFQKMHN-HOTGVXAUSA-N 2 1 340.512 1.659 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)C2 ZINC000112540025 220346167 /nfs/dbraw/zinc/34/61/67/220346167.db2.gz QWSHOBDOXICMLF-UONOGXRCSA-N 2 1 332.473 1.905 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415703682 304259735 /nfs/dbraw/zinc/25/97/35/304259735.db2.gz REOQPJLSOFZALR-JTQLQIEISA-N 2 1 326.828 1.064 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418382576 285244311 /nfs/dbraw/zinc/24/43/11/285244311.db2.gz MJNJONSQVNFTEG-HZPDHXFCSA-N 3 1 327.517 1.027 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)[C@H](C)COC ZINC000360157692 285245972 /nfs/dbraw/zinc/24/59/72/285245972.db2.gz VUBCHIOWSZNABM-IXDOHACOSA-N 2 1 327.513 1.780 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000492262724 255166248 /nfs/dbraw/zinc/16/62/48/255166248.db2.gz QHYHNLHLBKDZJS-SOFGYWHQSA-N 2 1 325.497 1.701 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496275982 255373541 /nfs/dbraw/zinc/37/35/41/255373541.db2.gz OLKBIHXEWZMLJV-CPUCHLNUSA-N 2 1 327.469 1.479 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496275982 255373542 /nfs/dbraw/zinc/37/35/42/255373542.db2.gz OLKBIHXEWZMLJV-CPUCHLNUSA-N 2 1 327.469 1.479 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC[C@H]1CCCO1 ZINC000337581025 285276617 /nfs/dbraw/zinc/27/66/17/285276617.db2.gz NUAYREZRRGJAIE-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261836660 285305169 /nfs/dbraw/zinc/30/51/69/285305169.db2.gz UDMGNVXYGQXDDP-UHOSZYNNSA-N 2 1 344.503 1.213 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261836660 285305174 /nfs/dbraw/zinc/30/51/74/285305174.db2.gz UDMGNVXYGQXDDP-UHOSZYNNSA-N 2 1 344.503 1.213 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000118127373 221127115 /nfs/dbraw/zinc/12/71/15/221127115.db2.gz DSDGHRJHKYAJKA-KRWDZBQOSA-N 2 1 346.475 1.677 20 0 EDADMP COC(=O)[C@@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+](C)C1 ZINC000416242713 304299946 /nfs/dbraw/zinc/29/99/46/304299946.db2.gz ADASPESLZWHWSN-DLBZAZTESA-N 2 1 347.459 1.243 20 0 EDADMP O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(C[NH+]2CCCC2)on1 ZINC000571582219 306569233 /nfs/dbraw/zinc/56/92/33/306569233.db2.gz QSRICFDAXCGZIM-UHFFFAOYSA-N 2 1 332.448 1.875 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000333186681 141277768 /nfs/dbraw/zinc/27/77/68/141277768.db2.gz NANKVQSVCSIJCW-WZYMTQMTSA-N 2 1 338.496 1.098 20 0 EDADMP Cc1cc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cn2cc[nH+]c12 ZINC000333361850 141305708 /nfs/dbraw/zinc/30/57/08/141305708.db2.gz SXOGDCDXABKZAH-OAHLLOKOSA-N 2 1 328.420 1.154 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)CC[N@H+]1Cc1ccccc1 ZINC000333496673 141326825 /nfs/dbraw/zinc/32/68/25/141326825.db2.gz CWDNJNRZKYRNIO-WBVHZDCISA-N 2 1 344.459 1.033 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000333718088 141364745 /nfs/dbraw/zinc/36/47/45/141364745.db2.gz UCLVKSQIXFJKPT-QXSJWSMHSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000333718088 141364747 /nfs/dbraw/zinc/36/47/47/141364747.db2.gz UCLVKSQIXFJKPT-QXSJWSMHSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000339520770 142064901 /nfs/dbraw/zinc/06/49/01/142064901.db2.gz DJTPAYKXGGLZAN-GOSISDBHSA-N 2 1 330.476 1.997 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000340203015 142301720 /nfs/dbraw/zinc/30/17/20/142301720.db2.gz FWCWKHGOAPXGMS-GOEBONIOSA-N 2 1 349.479 1.029 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000340203015 142301721 /nfs/dbraw/zinc/30/17/21/142301721.db2.gz FWCWKHGOAPXGMS-GOEBONIOSA-N 2 1 349.479 1.029 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCOC[C@H]1C ZINC000345719273 143125351 /nfs/dbraw/zinc/12/53/51/143125351.db2.gz BPPFYDWUUVYVLU-BRWVUGGUSA-N 2 1 325.497 1.534 20 0 EDADMP CC[C@@H]1CN(Cc2cn(-c3cc[nH+]cc3)nc2C)CC[N@H+]1C[C@@H](C)O ZINC000346227920 143181151 /nfs/dbraw/zinc/18/11/51/143181151.db2.gz YQWIYPRNILXRIL-CRAIPNDOSA-N 2 1 343.475 1.853 20 0 EDADMP CC[C@H]1CN(C(=O)CSCC[NH+](CC)CC)CC[N@@H+]1C[C@H](C)O ZINC000346265133 143185001 /nfs/dbraw/zinc/18/50/01/143185001.db2.gz RFFQWHRFMLBISL-HOTGVXAUSA-N 2 1 345.553 1.365 20 0 EDADMP CC[C@H]1CN(C(=O)CSCC[NH+](CC)CC)CC[N@H+]1C[C@H](C)O ZINC000346265133 143185002 /nfs/dbraw/zinc/18/50/02/143185002.db2.gz RFFQWHRFMLBISL-HOTGVXAUSA-N 2 1 345.553 1.365 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000346364786 143196991 /nfs/dbraw/zinc/19/69/91/143196991.db2.gz GEUOSYFTESVHFO-MWDXBVQZSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000346364786 143196992 /nfs/dbraw/zinc/19/69/92/143196992.db2.gz GEUOSYFTESVHFO-MWDXBVQZSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000346364786 143196993 /nfs/dbraw/zinc/19/69/93/143196993.db2.gz GEUOSYFTESVHFO-MWDXBVQZSA-N 2 1 325.497 1.722 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1)[C@@H]1CCC[NH2+]1 ZINC000346674770 143230093 /nfs/dbraw/zinc/23/00/93/143230093.db2.gz IZYJJMHESKGMKO-WBVHZDCISA-N 2 1 341.459 1.643 20 0 EDADMP C[C@@H]1C[C@@H](NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000346695516 143232915 /nfs/dbraw/zinc/23/29/15/143232915.db2.gz CTIRJWRSGPAIDO-POAQFYNOSA-N 2 1 329.488 1.838 20 0 EDADMP C[C@@H]1C[C@@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000346695516 143232916 /nfs/dbraw/zinc/23/29/16/143232916.db2.gz CTIRJWRSGPAIDO-POAQFYNOSA-N 2 1 329.488 1.838 20 0 EDADMP C[C@@H]1C[C@@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000346695516 143232917 /nfs/dbraw/zinc/23/29/17/143232917.db2.gz CTIRJWRSGPAIDO-POAQFYNOSA-N 2 1 329.488 1.838 20 0 EDADMP COC(=O)c1ccc(N2CC[N@@H+](CC3CC[NH2+]CC3)[C@H](C)C2)cc1 ZINC000346853962 143251959 /nfs/dbraw/zinc/25/19/59/143251959.db2.gz YIKHFRUCCHODPT-OAHLLOKOSA-N 2 1 331.460 1.983 20 0 EDADMP OC[C@H]1CC[C@@H](CO)[N@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000347276899 143302929 /nfs/dbraw/zinc/30/29/29/143302929.db2.gz OHUAYVZLZNLGQP-KDURUIRLSA-N 2 1 333.476 1.016 20 0 EDADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC000347389539 143315986 /nfs/dbraw/zinc/31/59/86/143315986.db2.gz KGCPGZAYOULKNL-GOSISDBHSA-N 2 1 337.508 1.679 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC000347389539 143315987 /nfs/dbraw/zinc/31/59/87/143315987.db2.gz KGCPGZAYOULKNL-GOSISDBHSA-N 2 1 337.508 1.679 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC000347486032 143327438 /nfs/dbraw/zinc/32/74/38/143327438.db2.gz QYNFXTAFKXPLSL-RBUKOAKNSA-N 2 1 339.524 1.672 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000347662883 143346840 /nfs/dbraw/zinc/34/68/40/143346840.db2.gz OCHNVGSCBYAFKB-SFHVURJKSA-N 2 1 331.460 1.872 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000347662883 143346841 /nfs/dbraw/zinc/34/68/41/143346841.db2.gz OCHNVGSCBYAFKB-SFHVURJKSA-N 2 1 331.460 1.872 20 0 EDADMP CCOC(=O)COCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000347755754 143358560 /nfs/dbraw/zinc/35/85/60/143358560.db2.gz XRMBFAWFBCWYRY-IYBDPMFKSA-N 2 1 342.480 1.387 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(=O)N2CCC[C@@H]2C)C1 ZINC000350180075 143533391 /nfs/dbraw/zinc/53/33/91/143533391.db2.gz CYAKIKNUTMGLSL-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000416841002 304350437 /nfs/dbraw/zinc/35/04/37/304350437.db2.gz LOLBYCZTWQPODI-IMJJTQAJSA-N 2 1 334.464 1.595 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000416844252 304351246 /nfs/dbraw/zinc/35/12/46/304351246.db2.gz PYUKEKCJYLVPLV-GDBMZVCRSA-N 2 1 334.464 1.597 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@@H](C)C1 ZINC000377525924 286058527 /nfs/dbraw/zinc/05/85/27/286058527.db2.gz SXKGCMVBCNKTMU-YLFCFFPRSA-N 2 1 325.497 1.628 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000352652257 149101855 /nfs/dbraw/zinc/10/18/55/149101855.db2.gz JRFTZRMGFJEGTQ-UHOSZYNNSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000352652257 149101857 /nfs/dbraw/zinc/10/18/57/149101857.db2.gz JRFTZRMGFJEGTQ-UHOSZYNNSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352652257 149101858 /nfs/dbraw/zinc/10/18/58/149101858.db2.gz JRFTZRMGFJEGTQ-UHOSZYNNSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352652257 149101859 /nfs/dbraw/zinc/10/18/59/149101859.db2.gz JRFTZRMGFJEGTQ-UHOSZYNNSA-N 2 1 345.487 1.734 20 0 EDADMP O=C(NCCCCC[NH+]1CCCCC1)NCC[NH+]1CCSCC1 ZINC000352695328 149119961 /nfs/dbraw/zinc/11/99/61/149119961.db2.gz YMHRPYLXXHIODH-UHFFFAOYSA-N 2 1 342.553 1.991 20 0 EDADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000352780201 149162096 /nfs/dbraw/zinc/16/20/96/149162096.db2.gz OEAAOEZPNQNRQR-ROUUACIJSA-N 2 1 344.503 1.750 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000352929619 149218837 /nfs/dbraw/zinc/21/88/37/149218837.db2.gz HORDLRPMDCOVRC-IRXDYDNUSA-N 2 1 340.512 1.349 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000352929619 149218839 /nfs/dbraw/zinc/21/88/39/149218839.db2.gz HORDLRPMDCOVRC-IRXDYDNUSA-N 2 1 340.512 1.349 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000353127334 149297648 /nfs/dbraw/zinc/29/76/48/149297648.db2.gz OQNMDMINCNSCDA-QGZVFWFLSA-N 2 1 346.475 1.834 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000353127334 149297650 /nfs/dbraw/zinc/29/76/50/149297650.db2.gz OQNMDMINCNSCDA-QGZVFWFLSA-N 2 1 346.475 1.834 20 0 EDADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc3c(c2)oc(=O)n3C)CCCO1 ZINC000353200493 149321918 /nfs/dbraw/zinc/32/19/18/149321918.db2.gz CBLUYTZNSMGAPW-CQSZACIVSA-N 2 1 333.432 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)oc(=O)n3C)CCCO1 ZINC000353200493 149321921 /nfs/dbraw/zinc/32/19/21/149321921.db2.gz CBLUYTZNSMGAPW-CQSZACIVSA-N 2 1 333.432 1.722 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000416972875 304358020 /nfs/dbraw/zinc/35/80/20/304358020.db2.gz IVUKOHUHMQLRSC-QGZVFWFLSA-N 2 1 339.528 1.219 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354931763 150039369 /nfs/dbraw/zinc/03/93/69/150039369.db2.gz RXIFIWIMDSMZDF-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354931763 150039371 /nfs/dbraw/zinc/03/93/71/150039371.db2.gz RXIFIWIMDSMZDF-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000354931763 150039373 /nfs/dbraw/zinc/03/93/73/150039373.db2.gz RXIFIWIMDSMZDF-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000354931763 150039375 /nfs/dbraw/zinc/03/93/75/150039375.db2.gz RXIFIWIMDSMZDF-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@@H+](CCC1CC1)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000355033394 150084069 /nfs/dbraw/zinc/08/40/69/150084069.db2.gz DNVBSTPAWZQAAP-KRWDZBQOSA-N 2 1 325.497 1.581 20 0 EDADMP CC[NH+](CCC1CC1)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000355033394 150084071 /nfs/dbraw/zinc/08/40/71/150084071.db2.gz DNVBSTPAWZQAAP-KRWDZBQOSA-N 2 1 325.497 1.581 20 0 EDADMP CC[NH+](CCC1CC1)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000355033394 150084074 /nfs/dbraw/zinc/08/40/74/150084074.db2.gz DNVBSTPAWZQAAP-KRWDZBQOSA-N 2 1 325.497 1.581 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000355064748 150099300 /nfs/dbraw/zinc/09/93/00/150099300.db2.gz SRDFBERSUQYZDE-QAPCUYQASA-N 2 1 348.491 1.393 20 0 EDADMP Cc1[nH]nc2ncc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc12 ZINC000355215331 150168024 /nfs/dbraw/zinc/16/80/24/150168024.db2.gz CLIHQSIAJSXEJP-DJIMGWMZSA-N 2 1 329.448 1.950 20 0 EDADMP Cc1[nH]nc2ncc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc12 ZINC000355215331 150168027 /nfs/dbraw/zinc/16/80/27/150168027.db2.gz CLIHQSIAJSXEJP-DJIMGWMZSA-N 2 1 329.448 1.950 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355510576 150298571 /nfs/dbraw/zinc/29/85/71/150298571.db2.gz QJKLVFUCBOVWKJ-AEFFLSMTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1CC[NH+](C)CCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355510576 150298575 /nfs/dbraw/zinc/29/85/75/150298575.db2.gz QJKLVFUCBOVWKJ-AEFFLSMTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1CC[NH+](C)CCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355510576 150298579 /nfs/dbraw/zinc/29/85/79/150298579.db2.gz QJKLVFUCBOVWKJ-AEFFLSMTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000370000227 155274460 /nfs/dbraw/zinc/27/44/60/155274460.db2.gz XBYKTNLINLCYMZ-OAHLLOKOSA-N 2 1 336.480 1.143 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000357382390 151013827 /nfs/dbraw/zinc/01/38/27/151013827.db2.gz CGRZLNKMCXLALX-BHIYHBOVSA-N 2 1 344.503 1.574 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000357382390 151013829 /nfs/dbraw/zinc/01/38/29/151013829.db2.gz CGRZLNKMCXLALX-BHIYHBOVSA-N 2 1 344.503 1.574 20 0 EDADMP COc1ccccc1NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000357655512 151104319 /nfs/dbraw/zinc/10/43/19/151104319.db2.gz ZQZDUYYLXLJFNI-HNNXBMFYSA-N 2 1 349.475 1.658 20 0 EDADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000357709925 151121921 /nfs/dbraw/zinc/12/19/21/151121921.db2.gz RZFRSZFJRVLQRK-MSOLQXFVSA-N 2 1 337.508 1.822 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cn(C)nc1C1CC1 ZINC000357773900 151148261 /nfs/dbraw/zinc/14/82/61/151148261.db2.gz RUICBJWZCVLCCK-UHFFFAOYSA-N 2 1 333.480 1.396 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cn(C)nc1C1CC1 ZINC000357773900 151148263 /nfs/dbraw/zinc/14/82/63/151148263.db2.gz RUICBJWZCVLCCK-UHFFFAOYSA-N 2 1 333.480 1.396 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000357820597 151161948 /nfs/dbraw/zinc/16/19/48/151161948.db2.gz TZKVUQTYCHWLNV-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000417076211 304370350 /nfs/dbraw/zinc/37/03/50/304370350.db2.gz JZKSNPJIDXLPLU-XWTMOSNGSA-N 2 1 328.460 1.668 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000358197108 151301920 /nfs/dbraw/zinc/30/19/20/151301920.db2.gz VMOJUDUTDPXKQK-UHFFFAOYSA-N 2 1 336.480 1.145 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000358447176 151379327 /nfs/dbraw/zinc/37/93/27/151379327.db2.gz ZARDVRFQLWJRHE-JYJNAYRXSA-N 2 1 328.501 1.467 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000417091390 304371648 /nfs/dbraw/zinc/37/16/48/304371648.db2.gz JSWYTQJSDSZFCW-QGZVFWFLSA-N 2 1 334.464 1.141 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCN2CCOCC2(C)C)[C@@H](C)C1 ZINC000361164614 152323727 /nfs/dbraw/zinc/32/37/27/152323727.db2.gz RKEADWZAODFQFJ-ZWKOTPCHSA-N 2 1 341.540 1.824 20 0 EDADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000361232957 152341881 /nfs/dbraw/zinc/34/18/81/152341881.db2.gz RIRKZUHUROZHAY-JSGCOSHPSA-N 2 1 327.856 1.878 20 0 EDADMP COCC1(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)CCC1 ZINC000361298809 152357281 /nfs/dbraw/zinc/35/72/81/152357281.db2.gz ZDSOFAFPPCUNPA-SFHVURJKSA-N 2 1 339.524 1.530 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC([NH+]2CCCC2)CC1 ZINC000363569929 153003646 /nfs/dbraw/zinc/00/36/46/153003646.db2.gz SVGOQTNFIYWCQT-IRXDYDNUSA-N 2 1 336.480 1.119 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC000363703253 153034037 /nfs/dbraw/zinc/03/40/37/153034037.db2.gz FCLZGGGYMOLDKR-KBAYOESNSA-N 2 1 346.475 1.177 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC000363703253 153034039 /nfs/dbraw/zinc/03/40/39/153034039.db2.gz FCLZGGGYMOLDKR-KBAYOESNSA-N 2 1 346.475 1.177 20 0 EDADMP CC1CC[NH+](CCNC(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364159246 153159012 /nfs/dbraw/zinc/15/90/12/153159012.db2.gz FZUSZUCPDSUPCZ-INIZCTEOSA-N 2 1 333.480 1.819 20 0 EDADMP COCC[C@@]1(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]C1 ZINC000364238863 153183097 /nfs/dbraw/zinc/18/30/97/153183097.db2.gz SNLLYKYIJDBSDG-DAYGRLMNSA-N 2 1 341.496 1.007 20 0 EDADMP COCC[C@@]1(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]C1 ZINC000364238863 153183100 /nfs/dbraw/zinc/18/31/00/153183100.db2.gz SNLLYKYIJDBSDG-DAYGRLMNSA-N 2 1 341.496 1.007 20 0 EDADMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000364661137 153297424 /nfs/dbraw/zinc/29/74/24/153297424.db2.gz JCNGTECZCKUIKQ-PMPSAXMXSA-N 2 1 333.480 1.816 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000364661137 153297426 /nfs/dbraw/zinc/29/74/26/153297426.db2.gz JCNGTECZCKUIKQ-PMPSAXMXSA-N 2 1 333.480 1.816 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000364721112 153313165 /nfs/dbraw/zinc/31/31/65/153313165.db2.gz GFHCRADBTXTHAZ-UHFFFAOYSA-N 2 1 338.423 1.364 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000364724055 153314136 /nfs/dbraw/zinc/31/41/36/153314136.db2.gz MTMDBUYVSHCVJQ-YYAJDYIMSA-N 2 1 337.508 1.900 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c2n1CCCC2 ZINC000370225731 155386826 /nfs/dbraw/zinc/38/68/26/155386826.db2.gz XSQANPIQIXOCCR-TZMCWYRMSA-N 2 1 331.464 1.952 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c2n1CCCC2 ZINC000370225731 155386832 /nfs/dbraw/zinc/38/68/32/155386832.db2.gz XSQANPIQIXOCCR-TZMCWYRMSA-N 2 1 331.464 1.952 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)[C@]1([NH+](C)C)CCOc2ccccc21 ZINC000364784587 153333165 /nfs/dbraw/zinc/33/31/65/153333165.db2.gz CMGWCQQHDPPKRX-IBGZPJMESA-N 2 1 349.475 1.311 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@]1([NH+](C)C)CCOc2ccccc21 ZINC000364784587 153333168 /nfs/dbraw/zinc/33/31/68/153333168.db2.gz CMGWCQQHDPPKRX-IBGZPJMESA-N 2 1 349.475 1.311 20 0 EDADMP Cc1[nH+]c(CNC(=O)NCC2([NH+](C)C)CCOCC2)c2n1CCCC2 ZINC000367405195 154108966 /nfs/dbraw/zinc/10/89/66/154108966.db2.gz SIXDTWWUBRCZPQ-UHFFFAOYSA-N 2 1 349.479 1.438 20 0 EDADMP CN(C(=O)NCC(C)(C)N1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367898918 154317823 /nfs/dbraw/zinc/31/78/23/154317823.db2.gz FWOKLDSVNVPMRY-XYPWUTKMSA-N 2 1 338.496 1.364 20 0 EDADMP CC(C)CCOCCNC(=O)C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368070543 154396955 /nfs/dbraw/zinc/39/69/55/154396955.db2.gz JVRNXNNYOWQRAE-MRXNPFEDSA-N 2 1 336.480 1.556 20 0 EDADMP CC(C)CCOCCNC(=O)C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368070543 154396957 /nfs/dbraw/zinc/39/69/57/154396957.db2.gz JVRNXNNYOWQRAE-MRXNPFEDSA-N 2 1 336.480 1.556 20 0 EDADMP CCN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)CC1 ZINC000369421643 155024970 /nfs/dbraw/zinc/02/49/70/155024970.db2.gz CEAXXRMBWHXVIF-RDJZCZTQSA-N 2 1 348.495 1.150 20 0 EDADMP CC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)CC1 ZINC000369421643 155024980 /nfs/dbraw/zinc/02/49/80/155024980.db2.gz CEAXXRMBWHXVIF-RDJZCZTQSA-N 2 1 348.495 1.150 20 0 EDADMP CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCn2ccnc2C1 ZINC000369499610 155061157 /nfs/dbraw/zinc/06/11/57/155061157.db2.gz HIRFAXWJOIUIEK-DLBZAZTESA-N 2 1 326.444 1.735 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000369532049 155074359 /nfs/dbraw/zinc/07/43/59/155074359.db2.gz QFRYRAUIOSHKNK-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[NH+](C2CCC2)CC1 ZINC000369599126 155104493 /nfs/dbraw/zinc/10/44/93/155104493.db2.gz GZZJXAVRRQPVKW-IBGZPJMESA-N 2 1 343.471 1.584 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000369635467 155117398 /nfs/dbraw/zinc/11/73/98/155117398.db2.gz CUFLDVNWPKFDKE-INIZCTEOSA-N 2 1 333.480 1.867 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H]2OCC[C@H]2C1)c1ccccc1 ZINC000369654946 155121899 /nfs/dbraw/zinc/12/18/99/155121899.db2.gz NDFAFSMYGDZXIR-RCCFBDPRSA-N 2 1 331.460 1.516 20 0 EDADMP CN(C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1)[C@@H]1CCC[N@H+](C)C1 ZINC000371870171 156146483 /nfs/dbraw/zinc/14/64/83/156146483.db2.gz NWVKSIBPCZFTNN-OAHLLOKOSA-N 2 1 333.480 1.278 20 0 EDADMP CN(C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000371870171 156146487 /nfs/dbraw/zinc/14/64/87/156146487.db2.gz NWVKSIBPCZFTNN-OAHLLOKOSA-N 2 1 333.480 1.278 20 0 EDADMP CN(C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1)[C@@H]1CCC[NH+](C)C1 ZINC000371870171 156146490 /nfs/dbraw/zinc/14/64/90/156146490.db2.gz NWVKSIBPCZFTNN-OAHLLOKOSA-N 2 1 333.480 1.278 20 0 EDADMP CN(C(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1)[C@@H]1CCC[NH+](C)C1 ZINC000371870171 156146492 /nfs/dbraw/zinc/14/64/92/156146492.db2.gz NWVKSIBPCZFTNN-OAHLLOKOSA-N 2 1 333.480 1.278 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000371968662 156189628 /nfs/dbraw/zinc/18/96/28/156189628.db2.gz ZYURJAOIIDBPLQ-CRAIPNDOSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC[NH2+]1 ZINC000373840912 157027489 /nfs/dbraw/zinc/02/74/89/157027489.db2.gz HOZBIDCBKJXDDD-OVWQWFNUSA-N 2 1 330.476 1.796 20 0 EDADMP c1ccc(CSCC[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000374016695 157109190 /nfs/dbraw/zinc/10/91/90/157109190.db2.gz FRLOWSXPBQHHAD-IBGZPJMESA-N 2 1 349.544 1.916 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000374357844 157259433 /nfs/dbraw/zinc/25/94/33/157259433.db2.gz LJSSMFKXTSNFJV-QGZVFWFLSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+](C)[C@@]1(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CCOc2ccccc21 ZINC000374585408 157336313 /nfs/dbraw/zinc/33/63/13/157336313.db2.gz MVSOUYIICKPBQK-APWZRJJASA-N 2 1 331.460 1.812 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377952189 158038308 /nfs/dbraw/zinc/03/83/08/158038308.db2.gz UQFBHSOEPDTMAD-WMLDXEAASA-N 2 1 329.460 1.114 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377952189 158038310 /nfs/dbraw/zinc/03/83/10/158038310.db2.gz UQFBHSOEPDTMAD-WMLDXEAASA-N 2 1 329.460 1.114 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC(C)(C)O)CC2)CC1 ZINC000377993134 158050438 /nfs/dbraw/zinc/05/04/38/158050438.db2.gz JTTVNYAVQXBWSB-UHFFFAOYSA-N 2 1 325.497 1.414 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)C1 ZINC000378189648 158104464 /nfs/dbraw/zinc/10/44/64/158104464.db2.gz YTQGOEWRLQCDSE-QMTMVMCOSA-N 2 1 331.460 1.812 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H](c2ccccc2)C1 ZINC000378207482 158109853 /nfs/dbraw/zinc/10/98/53/158109853.db2.gz RURUNPBKTKYUNW-FGTMMUONSA-N 2 1 330.476 1.219 20 0 EDADMP COC1(C(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)CC[NH2+]CC1 ZINC000378208159 158110491 /nfs/dbraw/zinc/11/04/91/158110491.db2.gz GFRYCNQFTNVTSX-HNNXBMFYSA-N 2 1 334.464 1.939 20 0 EDADMP CCN(C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000663553235 452260857 /nfs/dbraw/zinc/26/08/57/452260857.db2.gz MSACVLPGNZIEFK-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP CCN(C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000663553235 452260868 /nfs/dbraw/zinc/26/08/68/452260868.db2.gz MSACVLPGNZIEFK-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP CCN(C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000663553235 452260877 /nfs/dbraw/zinc/26/08/77/452260877.db2.gz MSACVLPGNZIEFK-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1CCN(c2ccc(CNC(=O)C[N@@H+](C)C(C)C)cn2)CC1 ZINC000063467421 287238346 /nfs/dbraw/zinc/23/83/46/287238346.db2.gz VHGLKBPRIMCEQY-UHFFFAOYSA-N 2 1 333.480 1.180 20 0 EDADMP CC(C)[NH+](CCCNC(=O)NC[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000080702112 287308533 /nfs/dbraw/zinc/30/85/33/287308533.db2.gz QQXNRSHBMYDFNA-QGZVFWFLSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000332035976 287343167 /nfs/dbraw/zinc/34/31/67/287343167.db2.gz ULOUJDWFSJEPQI-CABCVRRESA-N 2 1 326.485 1.256 20 0 EDADMP CCC[C@@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000638032803 452286124 /nfs/dbraw/zinc/28/61/24/452286124.db2.gz AXMWNIGZNYQQIG-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000418432605 304494981 /nfs/dbraw/zinc/49/49/81/304494981.db2.gz SOJRPQUTGZLHAB-NXHRZFHOSA-N 2 1 346.475 1.439 20 0 EDADMP c1cc(N2CCOCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262020705 273017520 /nfs/dbraw/zinc/01/75/20/273017520.db2.gz WLZPFPPVPXQBHI-RCCFBDPRSA-N 2 1 346.475 1.165 20 0 EDADMP CC(C)(C[NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000236592495 267913820 /nfs/dbraw/zinc/91/38/20/267913820.db2.gz FVTILRIAMRPHMB-UHFFFAOYSA-N 2 1 325.375 1.085 20 0 EDADMP CC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]1 ZINC000274611133 268169066 /nfs/dbraw/zinc/16/90/66/268169066.db2.gz NITVASWADGYHOY-FXAWDEMLSA-N 2 1 344.503 1.846 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000274672216 268180852 /nfs/dbraw/zinc/18/08/52/268180852.db2.gz PJDSJYCBUQFJNN-INIZCTEOSA-N 2 1 336.480 1.120 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000274672216 268180853 /nfs/dbraw/zinc/18/08/53/268180853.db2.gz PJDSJYCBUQFJNN-INIZCTEOSA-N 2 1 336.480 1.120 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000274672216 268180854 /nfs/dbraw/zinc/18/08/54/268180854.db2.gz PJDSJYCBUQFJNN-INIZCTEOSA-N 2 1 336.480 1.120 20 0 EDADMP CCNC(=O)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274854431 268223494 /nfs/dbraw/zinc/22/34/94/268223494.db2.gz RWOHCJPOXSMNGQ-HOCLYGCPSA-N 2 1 332.448 1.332 20 0 EDADMP CCNC(=O)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274854431 268223497 /nfs/dbraw/zinc/22/34/97/268223497.db2.gz RWOHCJPOXSMNGQ-HOCLYGCPSA-N 2 1 332.448 1.332 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278930157 273273055 /nfs/dbraw/zinc/27/30/55/273273055.db2.gz IZTIFHVRGPPMSP-KBPBESRZSA-N 2 1 348.472 1.704 20 0 EDADMP CCOc1ccc([C@@H](COC)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000284785278 274331242 /nfs/dbraw/zinc/33/12/42/274331242.db2.gz OHFSKEICAJLAGT-GOSISDBHSA-N 2 1 349.475 1.527 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000284944536 274397288 /nfs/dbraw/zinc/39/72/88/274397288.db2.gz VQTMXFMAAQQBQK-IEBWSBKVSA-N 2 1 347.503 1.839 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000284944536 274397290 /nfs/dbraw/zinc/39/72/90/274397290.db2.gz VQTMXFMAAQQBQK-IEBWSBKVSA-N 2 1 347.503 1.839 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000284944536 274397293 /nfs/dbraw/zinc/39/72/93/274397293.db2.gz VQTMXFMAAQQBQK-IEBWSBKVSA-N 2 1 347.503 1.839 20 0 EDADMP O=C1[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000359293450 275030607 /nfs/dbraw/zinc/03/06/07/275030607.db2.gz VDVCKMULLFLPOQ-TYNCELHUSA-N 2 1 339.361 1.962 20 0 EDADMP O=C1[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000359293450 275030608 /nfs/dbraw/zinc/03/06/08/275030608.db2.gz VDVCKMULLFLPOQ-TYNCELHUSA-N 2 1 339.361 1.962 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000246943141 276209985 /nfs/dbraw/zinc/20/99/85/276209985.db2.gz KDIPOUUPUZSGIN-SJORKVTESA-N 2 1 335.448 1.135 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000246943141 276209986 /nfs/dbraw/zinc/20/99/86/276209986.db2.gz KDIPOUUPUZSGIN-SJORKVTESA-N 2 1 335.448 1.135 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCn2cncc2C1 ZINC000343340170 276377651 /nfs/dbraw/zinc/37/76/51/276377651.db2.gz MWCXZUBXMKEOHN-SJORKVTESA-N 2 1 347.507 1.320 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)C1CCCCC1 ZINC000417014556 276820742 /nfs/dbraw/zinc/82/07/42/276820742.db2.gz LEIRSUAYZLGOHG-DOTOQJQBSA-N 2 1 328.476 1.840 20 0 EDADMP CN1CCC[NH+]=C1NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497033151 277052790 /nfs/dbraw/zinc/05/27/90/277052790.db2.gz BNYLYGSWFLHRDC-UHFFFAOYSA-N 2 1 339.484 1.210 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000262636350 277105195 /nfs/dbraw/zinc/10/51/95/277105195.db2.gz HTWNMLOGOLBNNJ-MSOLQXFVSA-N 2 1 330.476 1.091 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000262636350 277105196 /nfs/dbraw/zinc/10/51/96/277105196.db2.gz HTWNMLOGOLBNNJ-MSOLQXFVSA-N 2 1 330.476 1.091 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000262636350 277105197 /nfs/dbraw/zinc/10/51/97/277105197.db2.gz HTWNMLOGOLBNNJ-MSOLQXFVSA-N 2 1 330.476 1.091 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000286104188 287936372 /nfs/dbraw/zinc/93/63/72/287936372.db2.gz WVTNOEJFMJBRKD-HNNXBMFYSA-N 2 1 328.416 1.519 20 0 EDADMP COCC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000168515087 277229067 /nfs/dbraw/zinc/22/90/67/277229067.db2.gz PQCWYSYSKUXPPR-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000249282602 277374876 /nfs/dbraw/zinc/37/48/76/277374876.db2.gz NCQYEDJLJOYAJY-BZSNNMDCSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@H](CCNC(=O)NC[C@@H]1C[NH2+]CCO1)[N@@H+](C)Cc1ccccc1 ZINC000417814112 278173407 /nfs/dbraw/zinc/17/34/07/278173407.db2.gz MXZCCOATXATQDD-WBVHZDCISA-N 2 1 334.464 1.185 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N(C)c2ccccc2)CC1 ZINC000264293537 278395127 /nfs/dbraw/zinc/39/51/27/278395127.db2.gz OUOIGGZGXPIHKT-MRXNPFEDSA-N 2 1 333.476 1.674 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000364007527 279123531 /nfs/dbraw/zinc/12/35/31/279123531.db2.gz XFEOYFQMOFDBNK-MRXNPFEDSA-N 2 1 342.528 1.451 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000345325675 288107262 /nfs/dbraw/zinc/10/72/62/288107262.db2.gz SVMASXPIKFQFIX-INIZCTEOSA-N 2 1 340.512 1.349 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000417744180 279360814 /nfs/dbraw/zinc/36/08/14/279360814.db2.gz DPMPCMIKVLLAOB-IKGGRYGDSA-N 2 1 339.528 1.171 20 0 EDADMP Cn1cnc2c1CC[NH+](CCCC[N@@H+]1CCc3c(ncn3C)C1)C2 ZINC000363506552 279386590 /nfs/dbraw/zinc/38/65/90/279386590.db2.gz LWOLYYMPXZVNQX-UHFFFAOYSA-N 2 1 328.464 1.350 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NC[C@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000356202213 288189219 /nfs/dbraw/zinc/18/92/19/288189219.db2.gz GHDBINIGYGIAMK-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC[C@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000356202213 288189220 /nfs/dbraw/zinc/18/92/20/288189220.db2.gz GHDBINIGYGIAMK-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000356202213 288189221 /nfs/dbraw/zinc/18/92/21/288189221.db2.gz GHDBINIGYGIAMK-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000356202213 288189222 /nfs/dbraw/zinc/18/92/22/288189222.db2.gz GHDBINIGYGIAMK-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000340962976 280247528 /nfs/dbraw/zinc/24/75/28/280247528.db2.gz PJSHAROMUQHIRF-BBWFWOEESA-N 2 1 339.528 1.040 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000340962976 280247532 /nfs/dbraw/zinc/24/75/32/280247532.db2.gz PJSHAROMUQHIRF-BBWFWOEESA-N 2 1 339.528 1.040 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000340962976 280247533 /nfs/dbraw/zinc/24/75/33/280247533.db2.gz PJSHAROMUQHIRF-BBWFWOEESA-N 2 1 339.528 1.040 20 0 EDADMP O=C1OCC[C@H]2CC[N@@H+](CCCC[NH+]3CC[C@H]4CCOC(=O)[C@H]43)[C@@H]12 ZINC000369974929 280308367 /nfs/dbraw/zinc/30/83/67/280308367.db2.gz QPLXZPDKVCPMSZ-GEEKYZPCSA-N 2 1 336.432 1.041 20 0 EDADMP O=C1OCC[C@H]2CC[NH+](CCCC[N@@H+]3CC[C@H]4CCOC(=O)[C@H]43)[C@@H]12 ZINC000369974929 280308368 /nfs/dbraw/zinc/30/83/68/280308368.db2.gz QPLXZPDKVCPMSZ-GEEKYZPCSA-N 2 1 336.432 1.041 20 0 EDADMP O=C1OCC[C@H]2CC[NH+](CCCC[N@H+]3CC[C@H]4CCOC(=O)[C@H]43)[C@@H]12 ZINC000369974929 280308370 /nfs/dbraw/zinc/30/83/70/280308370.db2.gz QPLXZPDKVCPMSZ-GEEKYZPCSA-N 2 1 336.432 1.041 20 0 EDADMP CC[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1C[C@H](C)O ZINC000362862850 288275235 /nfs/dbraw/zinc/27/52/35/288275235.db2.gz LDVUZUFZFSSNBH-RDJZCZTQSA-N 2 1 333.476 1.665 20 0 EDADMP Cn1cc([C@@H]2[C@H](CNc3[nH+]cnc4[nH]ccc43)CCC[N@@H+]2C)cn1 ZINC000377703330 447305426 /nfs/dbraw/zinc/30/54/26/447305426.db2.gz MGHNKNFPEXAKHM-WFASDCNBSA-N 2 1 325.420 2.186 20 0 EDADMP Cn1cc([C@@H]2[C@H](CNc3[nH+]cnc4[nH]ccc43)CCC[N@H+]2C)cn1 ZINC000377703330 447305430 /nfs/dbraw/zinc/30/54/30/447305430.db2.gz MGHNKNFPEXAKHM-WFASDCNBSA-N 2 1 325.420 2.186 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000377955033 289114140 /nfs/dbraw/zinc/11/41/40/289114140.db2.gz XULULEVUNYQDBE-INIZCTEOSA-N 3 1 335.496 1.493 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000291840484 289194227 /nfs/dbraw/zinc/19/42/27/289194227.db2.gz CSZMLGQLSVDGLX-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000291840484 289194229 /nfs/dbraw/zinc/19/42/29/289194229.db2.gz CSZMLGQLSVDGLX-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000291840484 289194231 /nfs/dbraw/zinc/19/42/31/289194231.db2.gz CSZMLGQLSVDGLX-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000291840484 289194233 /nfs/dbraw/zinc/19/42/33/289194233.db2.gz CSZMLGQLSVDGLX-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@]1(O)CCC[N@@H+](CCOCC[NH+]2CCC[C@](C)(O)CC2)CC1 ZINC000369129407 289208569 /nfs/dbraw/zinc/20/85/69/289208569.db2.gz DQTPCAJCAUQGPI-HDICACEKSA-N 2 1 328.497 1.477 20 0 EDADMP C[C@@]1(O)CCC[NH+](CCOCC[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000369129407 289208570 /nfs/dbraw/zinc/20/85/70/289208570.db2.gz DQTPCAJCAUQGPI-HDICACEKSA-N 2 1 328.497 1.477 20 0 EDADMP C[C@@]1(O)CCC[NH+](CCOCC[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000369129407 289208572 /nfs/dbraw/zinc/20/85/72/289208572.db2.gz DQTPCAJCAUQGPI-HDICACEKSA-N 2 1 328.497 1.477 20 0 EDADMP C[C@H](C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)[NH+]1CCSCC1 ZINC000133299660 289262200 /nfs/dbraw/zinc/26/22/00/289262200.db2.gz JIXXBLWFRJSPPQ-LSDHHAIUSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@H](C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)[NH+]1CCSCC1 ZINC000133299660 289262204 /nfs/dbraw/zinc/26/22/04/289262204.db2.gz JIXXBLWFRJSPPQ-LSDHHAIUSA-N 2 1 341.521 1.135 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000420352821 289278021 /nfs/dbraw/zinc/27/80/21/289278021.db2.gz AYBXVOOBTFOWCA-DLBZAZTESA-N 3 1 332.492 1.383 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000292225538 289293634 /nfs/dbraw/zinc/29/36/34/289293634.db2.gz ZZVJQTBPEVYSHI-GOSISDBHSA-N 2 1 344.503 1.799 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[NH+]1CCSCC1 ZINC000154114076 289299489 /nfs/dbraw/zinc/29/94/89/289299489.db2.gz IOMGBEQUJRMDRW-BFYDXBDKSA-N 2 1 337.533 1.899 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+]1CCSCC1 ZINC000154114076 289299492 /nfs/dbraw/zinc/29/94/92/289299492.db2.gz IOMGBEQUJRMDRW-BFYDXBDKSA-N 2 1 337.533 1.899 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]CCCNC(=O)OC(C)(C)C)CC1(C)C ZINC000496855177 290043810 /nfs/dbraw/zinc/04/38/10/290043810.db2.gz OXZYPMCBRMEFGR-UHFFFAOYSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)[C@H](C)C1 ZINC000334095482 290093735 /nfs/dbraw/zinc/09/37/35/290093735.db2.gz RJBJQSTZAGPEFX-CABCVRRESA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486964370 290275274 /nfs/dbraw/zinc/27/52/74/290275274.db2.gz HURWXWAEOUHXDV-RKVPGOIHSA-N 2 1 330.476 1.921 20 0 EDADMP COC[C@]1(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC[NH2+]C1 ZINC000423357208 293265543 /nfs/dbraw/zinc/26/55/43/293265543.db2.gz LUKDTWSOVQIEPO-AOIWGVFYSA-N 2 1 337.508 1.726 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000666924033 453246525 /nfs/dbraw/zinc/24/65/25/453246525.db2.gz XIYBWUCGYHOUFV-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000666924033 453246532 /nfs/dbraw/zinc/24/65/32/453246532.db2.gz XIYBWUCGYHOUFV-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000666924033 453246543 /nfs/dbraw/zinc/24/65/43/453246543.db2.gz XIYBWUCGYHOUFV-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000666924033 453246555 /nfs/dbraw/zinc/24/65/55/453246555.db2.gz XIYBWUCGYHOUFV-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000666924582 453250416 /nfs/dbraw/zinc/25/04/16/453250416.db2.gz IKIDYVVJDSLLDO-HNNXBMFYSA-N 2 1 326.485 1.005 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000422036482 447319403 /nfs/dbraw/zinc/31/94/03/447319403.db2.gz NRKSOOYNBPROCK-QGZVFWFLSA-N 2 1 345.491 1.146 20 0 EDADMP O=C1COc2ccc(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)cc2N1 ZINC000293733072 303011311 /nfs/dbraw/zinc/01/13/11/303011311.db2.gz WMSJZYPZVXHNBU-HNNXBMFYSA-N 2 1 333.432 1.344 20 0 EDADMP Cn1nccc1[C@H]1[C@H]([NH2+]C2CC[NH+](C)CC2)CCC(=O)N1C1CC1 ZINC000344994500 303097419 /nfs/dbraw/zinc/09/74/19/303097419.db2.gz BSAMCOCIOCTGEA-CRAIPNDOSA-N 2 1 331.464 1.298 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C)cn2cc[nH+]c12 ZINC000294979670 303158883 /nfs/dbraw/zinc/15/88/83/303158883.db2.gz KMHGFLXXUJOEFS-CYBMUJFWSA-N 2 1 331.420 1.426 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cn2cc[nH+]c12 ZINC000294979670 303158885 /nfs/dbraw/zinc/15/88/85/303158885.db2.gz KMHGFLXXUJOEFS-CYBMUJFWSA-N 2 1 331.420 1.426 20 0 EDADMP COCCOC[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295040931 303166319 /nfs/dbraw/zinc/16/63/19/303166319.db2.gz NUOXFDOXSGMFSD-OALUTQOASA-N 2 1 336.476 1.464 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCN2CCOC2=O)[C@H](C)C1 ZINC000493473652 447333072 /nfs/dbraw/zinc/33/30/72/447333072.db2.gz PNCJINJVPUYTPR-HZPDHXFCSA-N 2 1 327.469 1.555 20 0 EDADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000360018881 303826990 /nfs/dbraw/zinc/82/69/90/303826990.db2.gz QVRGWTCLRXLFJY-OCCSQVGLSA-N 2 1 334.445 1.457 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000414879426 447341054 /nfs/dbraw/zinc/34/10/54/447341054.db2.gz ITNJEUKOWCZWBC-AWEZNQCLSA-N 2 1 330.432 1.088 20 0 EDADMP CC(C)C[C@H](N[C@@H](C)C[C@H]1CCCCC[NH2+]1)C(=O)NCC[NH+](C)C ZINC000423021415 304883340 /nfs/dbraw/zinc/88/33/40/304883340.db2.gz CAHFKQZYYXVXEQ-KSZLIROESA-N 2 1 340.556 1.979 20 0 EDADMP Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423083494 304884995 /nfs/dbraw/zinc/88/49/95/304884995.db2.gz GLJITKCPVJILFL-NXOAAHMSSA-N 2 1 333.480 1.136 20 0 EDADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423111745 304886795 /nfs/dbraw/zinc/88/67/95/304886795.db2.gz JDIXLBAMMSLHGK-SZMVWBNQSA-N 2 1 331.460 1.787 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000414897444 447347946 /nfs/dbraw/zinc/34/79/46/447347946.db2.gz BNEZYYOFAMKWSL-MRXNPFEDSA-N 2 1 346.475 1.535 20 0 EDADMP COCC[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000428755314 305016778 /nfs/dbraw/zinc/01/67/78/305016778.db2.gz XANBGUIHQLXQFY-FQEVSTJZSA-N 2 1 345.487 1.737 20 0 EDADMP O=C([C@@H]1CCC[N@H+](CCCOCC(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000430599800 305057863 /nfs/dbraw/zinc/05/78/63/305057863.db2.gz BCYBZMPQZCMSJF-CYBMUJFWSA-N 2 1 337.386 1.099 20 0 EDADMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccnn2Cc2cccs2)CC1 ZINC000430599869 305057994 /nfs/dbraw/zinc/05/79/94/305057994.db2.gz BLNQRCKJMAARCC-UHFFFAOYSA-N 2 1 333.461 1.602 20 0 EDADMP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430631879 305060369 /nfs/dbraw/zinc/06/03/69/305060369.db2.gz VZHTXISWYZQVLG-GOSISDBHSA-N 2 1 345.487 1.826 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000430638218 305060604 /nfs/dbraw/zinc/06/06/04/305060604.db2.gz DYUPYXHJZHMLNM-LBPRGKRZSA-N 2 1 334.445 1.690 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000430638218 305060605 /nfs/dbraw/zinc/06/06/05/305060605.db2.gz DYUPYXHJZHMLNM-LBPRGKRZSA-N 2 1 334.445 1.690 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000430634363 305060636 /nfs/dbraw/zinc/06/06/36/305060636.db2.gz DITWBKFJUKCKLA-LBPRGKRZSA-N 2 1 334.445 1.690 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000430634363 305060637 /nfs/dbraw/zinc/06/06/37/305060637.db2.gz DITWBKFJUKCKLA-LBPRGKRZSA-N 2 1 334.445 1.690 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430921360 305068297 /nfs/dbraw/zinc/06/82/97/305068297.db2.gz XXSFVMIRGPWWEJ-OWCLPIDISA-N 2 1 346.475 1.098 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430921360 305068298 /nfs/dbraw/zinc/06/82/98/305068298.db2.gz XXSFVMIRGPWWEJ-OWCLPIDISA-N 2 1 346.475 1.098 20 0 EDADMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000430943852 305069802 /nfs/dbraw/zinc/06/98/02/305069802.db2.gz JUSUVHLFSRNXPR-CYBMUJFWSA-N 2 1 330.432 1.292 20 0 EDADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000430951488 305070331 /nfs/dbraw/zinc/07/03/31/305070331.db2.gz LUJYFIFBNLJGSR-ZBFHGGJFSA-N 2 1 345.443 1.402 20 0 EDADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000430951488 305070332 /nfs/dbraw/zinc/07/03/32/305070332.db2.gz LUJYFIFBNLJGSR-ZBFHGGJFSA-N 2 1 345.443 1.402 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000431034591 305073379 /nfs/dbraw/zinc/07/33/79/305073379.db2.gz XZFPLZDXOAKUNH-WMZOPIPTSA-N 2 1 325.497 1.773 20 0 EDADMP COCC[C@]1(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000431059691 305074086 /nfs/dbraw/zinc/07/40/86/305074086.db2.gz CXDMQGLDCRSHFR-IMFGXOCKSA-N 2 1 345.487 1.954 20 0 EDADMP COc1ccncc1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000432132125 305087937 /nfs/dbraw/zinc/08/79/37/305087937.db2.gz ZIURFLUEDMLMEV-CYBMUJFWSA-N 2 1 336.436 1.077 20 0 EDADMP COc1ccncc1CNC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000432132125 305087938 /nfs/dbraw/zinc/08/79/38/305087938.db2.gz ZIURFLUEDMLMEV-CYBMUJFWSA-N 2 1 336.436 1.077 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)[C@@H](C)C1 ZINC000433406991 305108260 /nfs/dbraw/zinc/10/82/60/305108260.db2.gz UONUTVXGHNPWCA-KKUMJFAQSA-N 2 1 334.468 1.005 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000433452345 305109136 /nfs/dbraw/zinc/10/91/36/305109136.db2.gz VMDFIBKPUUENMG-WBVHZDCISA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000433452345 305109137 /nfs/dbraw/zinc/10/91/37/305109137.db2.gz VMDFIBKPUUENMG-WBVHZDCISA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000433452345 305109138 /nfs/dbraw/zinc/10/91/38/305109138.db2.gz VMDFIBKPUUENMG-WBVHZDCISA-N 2 1 338.496 1.365 20 0 EDADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)ccc2O1 ZINC000435374060 305139341 /nfs/dbraw/zinc/13/93/41/305139341.db2.gz HAQKOMUUAWQDPP-OAHLLOKOSA-N 2 1 331.460 1.687 20 0 EDADMP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436056705 305151583 /nfs/dbraw/zinc/15/15/83/305151583.db2.gz TXDBYGRQTLVORG-JKSUJKDBSA-N 2 1 338.496 1.097 20 0 EDADMP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436056705 305151584 /nfs/dbraw/zinc/15/15/84/305151584.db2.gz TXDBYGRQTLVORG-JKSUJKDBSA-N 2 1 338.496 1.097 20 0 EDADMP C[C@@H]1[NH2+]CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000436057938 305151706 /nfs/dbraw/zinc/15/17/06/305151706.db2.gz HUCJKYGYLOVVLA-IRXDYDNUSA-N 2 1 330.476 1.013 20 0 EDADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436062770 305151848 /nfs/dbraw/zinc/15/18/48/305151848.db2.gz JRZXHZYQYFNKOE-HOTGVXAUSA-N 2 1 340.512 1.199 20 0 EDADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436062770 305151849 /nfs/dbraw/zinc/15/18/49/305151849.db2.gz JRZXHZYQYFNKOE-HOTGVXAUSA-N 2 1 340.512 1.199 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC[N@H+]1C ZINC000438888598 305190634 /nfs/dbraw/zinc/19/06/34/305190634.db2.gz DGONPEJXQIPNNH-UNEWFSDZSA-N 2 1 328.460 1.979 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2C[C@@H](O)COCc1ccccc1 ZINC000441208950 305218988 /nfs/dbraw/zinc/21/89/88/305218988.db2.gz YRXVCHHJJLVJBH-ZRNYENFQSA-N 2 1 348.487 1.748 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000444355138 305246858 /nfs/dbraw/zinc/24/68/58/305246858.db2.gz XLBQAFJALGOXPU-CRAIPNDOSA-N 2 1 333.476 1.593 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000444355138 305246859 /nfs/dbraw/zinc/24/68/59/305246859.db2.gz XLBQAFJALGOXPU-CRAIPNDOSA-N 2 1 333.476 1.593 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000444359351 305247018 /nfs/dbraw/zinc/24/70/18/305247018.db2.gz DAUGBNHOXOPHJA-OAHLLOKOSA-N 2 1 336.480 1.700 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000444359351 305247019 /nfs/dbraw/zinc/24/70/19/305247019.db2.gz DAUGBNHOXOPHJA-OAHLLOKOSA-N 2 1 336.480 1.700 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC2([NH+](C)C)CCC2)CC[N@H+]1CCOC ZINC000446619732 305268142 /nfs/dbraw/zinc/26/81/42/305268142.db2.gz IWQDSGAMUNGYDG-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H](O)C[C@@H]1CCCC[NH+]1CC(O)C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447844514 305286895 /nfs/dbraw/zinc/28/68/95/305286895.db2.gz QKFIRFTXEVPNKT-XSLAGTTESA-N 2 1 342.524 1.598 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCC[NH+]1CCCOCC1 ZINC000448261457 305294803 /nfs/dbraw/zinc/29/48/03/305294803.db2.gz PVYPZRRYXSAENE-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000448261457 305294804 /nfs/dbraw/zinc/29/48/04/305294804.db2.gz PVYPZRRYXSAENE-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000448261457 305294805 /nfs/dbraw/zinc/29/48/05/305294805.db2.gz PVYPZRRYXSAENE-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000449084539 305306106 /nfs/dbraw/zinc/30/61/06/305306106.db2.gz HUERNQBIXPTYTK-RYTJFDOTSA-N 2 1 325.497 1.757 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000449711720 305317765 /nfs/dbraw/zinc/31/77/65/305317765.db2.gz PBDLZDAONDULFI-QZTJIDSGSA-N 2 1 331.460 1.393 20 0 EDADMP CC(C)OCCOC1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000451950966 305373571 /nfs/dbraw/zinc/37/35/71/305373571.db2.gz JLEHYNPXVUICQN-UHFFFAOYSA-N 2 1 341.496 1.057 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cccc(C[NH+]2CCCC2)c1 ZINC000452354734 305391992 /nfs/dbraw/zinc/39/19/92/305391992.db2.gz WHHMFDZQQKPEPU-IBGZPJMESA-N 2 1 345.487 1.859 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458407527 447349459 /nfs/dbraw/zinc/34/94/59/447349459.db2.gz DEKBVOLLNGPHHN-SJORKVTESA-N 2 1 340.512 1.397 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458407527 447349467 /nfs/dbraw/zinc/34/94/67/447349467.db2.gz DEKBVOLLNGPHHN-SJORKVTESA-N 2 1 340.512 1.397 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458407527 447349473 /nfs/dbraw/zinc/34/94/73/447349473.db2.gz DEKBVOLLNGPHHN-SJORKVTESA-N 2 1 340.512 1.397 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419699714 447357497 /nfs/dbraw/zinc/35/74/97/447357497.db2.gz RKSQVJILLGWPGL-OAHLLOKOSA-N 2 1 340.512 1.056 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377791475 447358436 /nfs/dbraw/zinc/35/84/36/447358436.db2.gz FNAUSFFVGAEGTC-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[C@H](C)[N@@H+]1CCO ZINC000458425877 447359775 /nfs/dbraw/zinc/35/97/75/447359775.db2.gz WEODFGGDHNENHY-XHSDSOJGSA-N 2 1 342.528 1.449 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000377791475 447358432 /nfs/dbraw/zinc/35/84/32/447358432.db2.gz FNAUSFFVGAEGTC-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000414933302 447362678 /nfs/dbraw/zinc/36/26/78/447362678.db2.gz DOLHKWBHKWBKLZ-TZMCWYRMSA-N 2 1 330.432 1.086 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2(O)CCCCC2)CC1 ZINC000530804476 305946460 /nfs/dbraw/zinc/94/64/60/305946460.db2.gz LUKKWUVAFCTSQC-UHFFFAOYSA-N 2 1 332.448 1.857 20 0 EDADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc2C1 ZINC000538709310 306032723 /nfs/dbraw/zinc/03/27/23/306032723.db2.gz DRNCRJWJIYWNPY-MJGOQNOKSA-N 2 1 331.460 1.526 20 0 EDADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000542715804 306057136 /nfs/dbraw/zinc/05/71/36/306057136.db2.gz IYGCAZJOINXNGE-INIZCTEOSA-N 2 1 330.476 1.952 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000542715804 306057137 /nfs/dbraw/zinc/05/71/37/306057137.db2.gz IYGCAZJOINXNGE-INIZCTEOSA-N 2 1 330.476 1.952 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000546590473 306093686 /nfs/dbraw/zinc/09/36/86/306093686.db2.gz BEFJAHCOHWCNCC-LJQANCHMSA-N 2 1 346.475 1.017 20 0 EDADMP C[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@H+]1CC(C)(C)O ZINC000547727667 306110209 /nfs/dbraw/zinc/11/02/09/306110209.db2.gz SFKUNFZOLFYXMQ-HNNXBMFYSA-N 2 1 334.464 1.212 20 0 EDADMP C[NH+](C)CCCCC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000551104105 306155807 /nfs/dbraw/zinc/15/58/07/306155807.db2.gz BCEKFLSMLMKKFA-ROUUACIJSA-N 2 1 333.476 1.470 20 0 EDADMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000551739252 306160939 /nfs/dbraw/zinc/16/09/39/306160939.db2.gz YUMFITBMTVLBQG-RTBURBONSA-N 2 1 347.503 1.718 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@H](C[NH+](C)C)C1)CCC(F)(F)F ZINC000425963712 447367788 /nfs/dbraw/zinc/36/77/88/447367788.db2.gz CYJXFEGLFOCPDQ-CYBMUJFWSA-N 2 1 338.418 1.854 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000414964563 447377508 /nfs/dbraw/zinc/37/75/08/447377508.db2.gz DURXYTFLKGGYEE-INIZCTEOSA-N 2 1 336.480 1.929 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(N)nc1 ZINC000414993733 447386103 /nfs/dbraw/zinc/38/61/03/447386103.db2.gz UBDJPXBZPUWWAJ-AWEZNQCLSA-N 2 1 333.436 1.229 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422236632 447417287 /nfs/dbraw/zinc/41/72/87/447417287.db2.gz HLSAMJSCOIGQLO-UHFFFAOYSA-N 2 1 340.512 1.611 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000493974589 447421578 /nfs/dbraw/zinc/42/15/78/447421578.db2.gz BWIGSFUWGWFKFK-IAGOWNOFSA-N 2 1 331.460 1.557 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000426390199 447432638 /nfs/dbraw/zinc/43/26/38/447432638.db2.gz IFDMCTCORLGCCM-ROUUACIJSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426390199 447432643 /nfs/dbraw/zinc/43/26/43/447432643.db2.gz IFDMCTCORLGCCM-ROUUACIJSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426390199 447432648 /nfs/dbraw/zinc/43/26/48/447432648.db2.gz IFDMCTCORLGCCM-ROUUACIJSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+](C)C1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000422273034 447435906 /nfs/dbraw/zinc/43/59/06/447435906.db2.gz ZUPLQZXHIRRXIQ-HWOWSKLDSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000105103710 441233646 /nfs/dbraw/zinc/23/36/46/441233646.db2.gz ZSCMPZTWDKDXKE-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726507 441202031 /nfs/dbraw/zinc/20/20/31/441202031.db2.gz ULNNIVUEYHXZCS-HNNXBMFYSA-N 2 1 346.475 1.804 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876182 441304319 /nfs/dbraw/zinc/30/43/19/441304319.db2.gz NANWZTAEPAFDMW-CQSZACIVSA-N 2 1 349.479 1.545 20 0 EDADMP CC[N@H+](CCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C(C)C ZINC000074056031 441386933 /nfs/dbraw/zinc/38/69/33/441386933.db2.gz BRCDPRHABRRKMB-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C(C)C ZINC000074056031 441386935 /nfs/dbraw/zinc/38/69/35/441386935.db2.gz BRCDPRHABRRKMB-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106543716 441353325 /nfs/dbraw/zinc/35/33/25/441353325.db2.gz ZVKBNPGXRJBAHU-IXDOHACOSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000106543716 441353332 /nfs/dbraw/zinc/35/33/32/441353332.db2.gz ZVKBNPGXRJBAHU-IXDOHACOSA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000106561171 441356688 /nfs/dbraw/zinc/35/66/88/441356688.db2.gz GVRRGNCEIWJWQB-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000106561171 441356704 /nfs/dbraw/zinc/35/67/04/441356704.db2.gz GVRRGNCEIWJWQB-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000106561171 441356707 /nfs/dbraw/zinc/35/67/07/441356707.db2.gz GVRRGNCEIWJWQB-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(CC[NH+]2CCCC2)c2ccccc2)C1 ZINC000073906703 441367025 /nfs/dbraw/zinc/36/70/25/441367025.db2.gz KFXUMMFSYOAVEX-SFHVURJKSA-N 2 1 331.460 1.836 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(CC[NH+]2CCCC2)c2ccccc2)C1 ZINC000073906703 441367029 /nfs/dbraw/zinc/36/70/29/441367029.db2.gz KFXUMMFSYOAVEX-SFHVURJKSA-N 2 1 331.460 1.836 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2[nH]nnc2c1 ZINC000112913319 441566343 /nfs/dbraw/zinc/56/63/43/441566343.db2.gz OVCOSJFWMIIRIF-UHFFFAOYSA-N 2 1 332.452 1.304 20 0 EDADMP C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2Br)CC1 ZINC000090458042 441630180 /nfs/dbraw/zinc/63/01/80/441630180.db2.gz WWWCRFVYHLHPKX-CYBMUJFWSA-N 2 1 343.265 1.873 20 0 EDADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000076333682 441630425 /nfs/dbraw/zinc/63/04/25/441630425.db2.gz CKOCJFKPKFPQSF-INIZCTEOSA-N 2 1 344.459 1.082 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000114399008 441653220 /nfs/dbraw/zinc/65/32/20/441653220.db2.gz SGTIVBUUUQTWQW-IBGZPJMESA-N 2 1 344.503 1.214 20 0 EDADMP COc1cc2[nH+]c(NC[C@H]3CCC[N@H+](C)C3)nc(N)c2cc1OC ZINC000091482946 441705967 /nfs/dbraw/zinc/70/59/67/441705967.db2.gz WHUBYEXKVXVMTI-LLVKDONJSA-N 2 1 331.420 1.983 20 0 EDADMP COc1cc2[nH+]c(NC[C@H]3CCC[N@@H+](C)C3)nc(N)c2cc1OC ZINC000091482946 441705972 /nfs/dbraw/zinc/70/59/72/441705972.db2.gz WHUBYEXKVXVMTI-LLVKDONJSA-N 2 1 331.420 1.983 20 0 EDADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000458658937 447441619 /nfs/dbraw/zinc/44/16/19/447441619.db2.gz ONGVXVILRXWGAY-IAGOWNOFSA-N 2 1 340.512 1.397 20 0 EDADMP COc1ccc(CN2CCN(C(=O)C[N@@H+](C)CC[C@@H](C)O)CC2)cc1 ZINC000173571575 441795579 /nfs/dbraw/zinc/79/55/79/441795579.db2.gz ODLYIKUYEGKQLC-MRXNPFEDSA-N 2 1 349.475 1.042 20 0 EDADMP COc1ccc(CN2CCN(C(=O)CN(C)CC[C@@H](C)O)CC2)cc1 ZINC000173571575 441795587 /nfs/dbraw/zinc/79/55/87/441795587.db2.gz ODLYIKUYEGKQLC-MRXNPFEDSA-N 2 1 349.475 1.042 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCc1ccccn1 ZINC000173906186 441860173 /nfs/dbraw/zinc/86/01/73/441860173.db2.gz KFJPSKSKJZFOLF-SFHVURJKSA-N 2 1 347.507 1.682 20 0 EDADMP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093660091 441892691 /nfs/dbraw/zinc/89/26/91/441892691.db2.gz ZDDUNMXCETVUFB-SFHVURJKSA-N 2 1 346.523 1.535 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093660091 441892699 /nfs/dbraw/zinc/89/26/99/441892699.db2.gz ZDDUNMXCETVUFB-SFHVURJKSA-N 2 1 346.523 1.535 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000174533320 441936169 /nfs/dbraw/zinc/93/61/69/441936169.db2.gz ATCFTQWQAVSBJJ-LJQANCHMSA-N 2 1 345.487 1.688 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000174533320 441936172 /nfs/dbraw/zinc/93/61/72/441936172.db2.gz ATCFTQWQAVSBJJ-LJQANCHMSA-N 2 1 345.487 1.688 20 0 EDADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000174533320 441936178 /nfs/dbraw/zinc/93/61/78/441936178.db2.gz ATCFTQWQAVSBJJ-LJQANCHMSA-N 2 1 345.487 1.688 20 0 EDADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000174533320 441936182 /nfs/dbraw/zinc/93/61/82/441936182.db2.gz ATCFTQWQAVSBJJ-LJQANCHMSA-N 2 1 345.487 1.688 20 0 EDADMP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)C[NH+]1CCOCC1 ZINC000150722402 441936689 /nfs/dbraw/zinc/93/66/89/441936689.db2.gz FVNMKRSTHHUACY-QGZVFWFLSA-N 2 1 345.487 1.981 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000175109772 442005936 /nfs/dbraw/zinc/00/59/36/442005936.db2.gz RTQKHMLWOWRFMP-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000175109772 442005940 /nfs/dbraw/zinc/00/59/40/442005940.db2.gz RTQKHMLWOWRFMP-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000175109772 442005945 /nfs/dbraw/zinc/00/59/45/442005945.db2.gz RTQKHMLWOWRFMP-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000175109772 442005950 /nfs/dbraw/zinc/00/59/50/442005950.db2.gz RTQKHMLWOWRFMP-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000126138767 442083154 /nfs/dbraw/zinc/08/31/54/442083154.db2.gz QVMQEIVLEWRCOV-RDJZCZTQSA-N 2 1 328.501 1.253 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000175773862 442120084 /nfs/dbraw/zinc/12/00/84/442120084.db2.gz SZLJGRDWFDHXPC-KRWDZBQOSA-N 2 1 340.512 1.472 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000152167432 442174437 /nfs/dbraw/zinc/17/44/37/442174437.db2.gz PMUJRDOYCQJELT-GOSISDBHSA-N 2 1 333.476 1.715 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000176867472 442264720 /nfs/dbraw/zinc/26/47/20/442264720.db2.gz XRIKKQBUFWOEAN-KRWDZBQOSA-N 2 1 347.503 1.670 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000176867472 442264724 /nfs/dbraw/zinc/26/47/24/442264724.db2.gz XRIKKQBUFWOEAN-KRWDZBQOSA-N 2 1 347.503 1.670 20 0 EDADMP C[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC000153345097 442276618 /nfs/dbraw/zinc/27/66/18/442276618.db2.gz NWMQMKFIYNEHEO-IAGOWNOFSA-N 2 1 330.476 1.013 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000177534533 442354289 /nfs/dbraw/zinc/35/42/89/442354289.db2.gz WUIDNBTZQFHNIN-KSZLIROESA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000177534533 442354292 /nfs/dbraw/zinc/35/42/92/442354292.db2.gz WUIDNBTZQFHNIN-KSZLIROESA-N 2 1 337.508 1.581 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)C[N@H+]1C1CC1 ZINC000130294689 442342993 /nfs/dbraw/zinc/34/29/93/442342993.db2.gz BCZFYYNGQBVQIB-NVXWUHKLSA-N 2 1 345.491 1.780 20 0 EDADMP CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000130617882 442351400 /nfs/dbraw/zinc/35/14/00/442351400.db2.gz KVSDMXUZDHFDKL-OAHLLOKOSA-N 2 1 338.883 1.706 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000154036872 442318351 /nfs/dbraw/zinc/31/83/51/442318351.db2.gz NUMBVSKLEVXCNI-DLBZAZTESA-N 3 1 341.544 1.242 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000132200552 442388811 /nfs/dbraw/zinc/38/88/11/442388811.db2.gz GMUJAYHJNOMSSX-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000132200552 442388814 /nfs/dbraw/zinc/38/88/14/442388814.db2.gz GMUJAYHJNOMSSX-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000132200552 442388816 /nfs/dbraw/zinc/38/88/16/442388816.db2.gz GMUJAYHJNOMSSX-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000132200552 442388817 /nfs/dbraw/zinc/38/88/17/442388817.db2.gz GMUJAYHJNOMSSX-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000132200552 442388819 /nfs/dbraw/zinc/38/88/19/442388819.db2.gz GMUJAYHJNOMSSX-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000133218620 442408972 /nfs/dbraw/zinc/40/89/72/442408972.db2.gz SQJLKLDTRLVTLY-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000133218620 442408975 /nfs/dbraw/zinc/40/89/75/442408975.db2.gz SQJLKLDTRLVTLY-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000133218620 442408976 /nfs/dbraw/zinc/40/89/76/442408976.db2.gz SQJLKLDTRLVTLY-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000133218620 442408980 /nfs/dbraw/zinc/40/89/80/442408980.db2.gz SQJLKLDTRLVTLY-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC[NH+](C)C ZINC000133742919 442432129 /nfs/dbraw/zinc/43/21/29/442432129.db2.gz BTJFCIIVWNKQCU-MRXNPFEDSA-N 2 1 333.480 1.058 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000178805304 442490655 /nfs/dbraw/zinc/49/06/55/442490655.db2.gz RPCFOYSZSNUORI-MRXNPFEDSA-N 2 1 344.503 1.633 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000179009144 442551347 /nfs/dbraw/zinc/55/13/47/442551347.db2.gz AFISYASNLQXVGP-FUHWJXTLSA-N 2 1 330.476 1.043 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@H](C)[NH3+] ZINC000192102916 442593016 /nfs/dbraw/zinc/59/30/16/442593016.db2.gz GAFIXUGFKKFZNI-CABCVRRESA-N 2 1 344.459 1.895 20 0 EDADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000180760019 442656421 /nfs/dbraw/zinc/65/64/21/442656421.db2.gz JBBLNIUKYZIARX-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000180760019 442656423 /nfs/dbraw/zinc/65/64/23/442656423.db2.gz JBBLNIUKYZIARX-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP C[NH+]1CCC(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000135555678 442611519 /nfs/dbraw/zinc/61/15/19/442611519.db2.gz WOWPYYWYMQHDLY-LJQANCHMSA-N 2 1 345.487 1.601 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000186841126 442620069 /nfs/dbraw/zinc/62/00/69/442620069.db2.gz NQPGJTNXYUPRAC-MRXNPFEDSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H](CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[N@@H+](C)C1CC1 ZINC000135653400 442624051 /nfs/dbraw/zinc/62/40/51/442624051.db2.gz DWOKZTZQBFOHRH-CQSZACIVSA-N 2 1 349.479 1.304 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](CCN2CCO[C@@H](C)C2)CC1 ZINC000192781886 442685931 /nfs/dbraw/zinc/68/59/31/442685931.db2.gz TVGDJQCXKXFEIA-SFHVURJKSA-N 2 1 341.540 1.778 20 0 EDADMP COC(=O)CN1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192935382 442700017 /nfs/dbraw/zinc/70/00/17/442700017.db2.gz OFHBKBGBLLPJPM-GOSISDBHSA-N 2 1 345.487 1.736 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000187953469 442700149 /nfs/dbraw/zinc/70/01/49/442700149.db2.gz SLDWEMYWACNTTJ-DSLXNQLJSA-N 2 1 345.487 1.875 20 0 EDADMP COC(=O)c1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)s1 ZINC000180954642 442671571 /nfs/dbraw/zinc/67/15/71/442671571.db2.gz MOVUHDHCBJOGNA-UHFFFAOYSA-N 2 1 339.505 1.993 20 0 EDADMP COC(=O)c1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)s1 ZINC000180954642 442671573 /nfs/dbraw/zinc/67/15/73/442671573.db2.gz MOVUHDHCBJOGNA-UHFFFAOYSA-N 2 1 339.505 1.993 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1C[NH2+]CCO1 ZINC000188103419 442711777 /nfs/dbraw/zinc/71/17/77/442711777.db2.gz RIIGXVILFMEYBE-MRXNPFEDSA-N 2 1 339.386 1.034 20 0 EDADMP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)ncn1 ZINC000246497498 442786924 /nfs/dbraw/zinc/78/69/24/442786924.db2.gz SKLVSHHZLSPFBK-KLHDSHLOSA-N 3 1 332.496 1.805 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2=O)n(C)n1 ZINC000182339148 442758680 /nfs/dbraw/zinc/75/86/80/442758680.db2.gz MSSTYGFEXPOJFX-XHSDSOJGSA-N 2 1 331.464 1.440 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2=O)n(C)n1 ZINC000182339148 442758681 /nfs/dbraw/zinc/75/86/81/442758681.db2.gz MSSTYGFEXPOJFX-XHSDSOJGSA-N 2 1 331.464 1.440 20 0 EDADMP COc1ccccc1CCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000182434876 442766344 /nfs/dbraw/zinc/76/63/44/442766344.db2.gz DGWORBYXSVMZKT-UHFFFAOYSA-N 2 1 345.487 1.868 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[NH+](CC)C2CC2)[C@H](C)C1 ZINC000246280684 442768703 /nfs/dbraw/zinc/76/87/03/442768703.db2.gz NMTMERXTQQBRPU-WBVHZDCISA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[N@H+](CC)C2CC2)[C@H](C)C1 ZINC000246280684 442768708 /nfs/dbraw/zinc/76/87/08/442768708.db2.gz NMTMERXTQQBRPU-WBVHZDCISA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](CC)C2CC2)[C@H](C)C1 ZINC000246280684 442768712 /nfs/dbraw/zinc/76/87/12/442768712.db2.gz NMTMERXTQQBRPU-WBVHZDCISA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)CCOC)[C@@H](C)C1 ZINC000246386728 442777241 /nfs/dbraw/zinc/77/72/41/442777241.db2.gz IRRGNSCXDOADBB-JKSUJKDBSA-N 2 1 328.501 1.326 20 0 EDADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+](C)CCOC)[C@@H](C)C1 ZINC000246386728 442777244 /nfs/dbraw/zinc/77/72/44/442777244.db2.gz IRRGNSCXDOADBB-JKSUJKDBSA-N 2 1 328.501 1.326 20 0 EDADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+](C)CCOC)[C@@H](C)C1 ZINC000246386728 442777247 /nfs/dbraw/zinc/77/72/47/442777247.db2.gz IRRGNSCXDOADBB-JKSUJKDBSA-N 2 1 328.501 1.326 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2nn[nH]c21 ZINC000182780590 442824101 /nfs/dbraw/zinc/82/41/01/442824101.db2.gz YOGOEVBPDLMKJJ-UHFFFAOYSA-N 2 1 332.452 1.304 20 0 EDADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182963406 442856026 /nfs/dbraw/zinc/85/60/26/442856026.db2.gz NEQKBDGDEASTKC-MSOLQXFVSA-N 2 1 338.540 1.593 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000268127769 442860263 /nfs/dbraw/zinc/86/02/63/442860263.db2.gz BQLSZPKFULOXRT-PXAZEXFGSA-N 2 1 342.443 1.169 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000268127769 442860268 /nfs/dbraw/zinc/86/02/68/442860268.db2.gz BQLSZPKFULOXRT-PXAZEXFGSA-N 2 1 342.443 1.169 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000268127769 442860273 /nfs/dbraw/zinc/86/02/73/442860273.db2.gz BQLSZPKFULOXRT-PXAZEXFGSA-N 2 1 342.443 1.169 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000268127769 442860278 /nfs/dbraw/zinc/86/02/78/442860278.db2.gz BQLSZPKFULOXRT-PXAZEXFGSA-N 2 1 342.443 1.169 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(CCN3C(=O)NC4(CCCC4)C3=O)CC[C@H]21 ZINC000247962907 442875180 /nfs/dbraw/zinc/87/51/80/442875180.db2.gz GLMKCUFINDJOBK-HUUCEWRRSA-N 2 1 334.464 1.267 20 0 EDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC[C@H]21 ZINC000247962907 442875185 /nfs/dbraw/zinc/87/51/85/442875185.db2.gz GLMKCUFINDJOBK-HUUCEWRRSA-N 2 1 334.464 1.267 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC[C@H]21 ZINC000247962907 442875187 /nfs/dbraw/zinc/87/51/87/442875187.db2.gz GLMKCUFINDJOBK-HUUCEWRRSA-N 2 1 334.464 1.267 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCN3C(=O)NC4(CCCC4)C3=O)CC[C@H]21 ZINC000247962907 442875192 /nfs/dbraw/zinc/87/51/92/442875192.db2.gz GLMKCUFINDJOBK-HUUCEWRRSA-N 2 1 334.464 1.267 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCN3C(=O)NC4(CCCC4)C3=O)CC[C@H]21 ZINC000247962907 442875195 /nfs/dbraw/zinc/87/51/95/442875195.db2.gz GLMKCUFINDJOBK-HUUCEWRRSA-N 2 1 334.464 1.267 20 0 EDADMP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182963458 442855657 /nfs/dbraw/zinc/85/56/57/442855657.db2.gz NEQKBDGDEASTKC-ZWKOTPCHSA-N 2 1 338.540 1.593 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@H]1C ZINC000248593943 442904735 /nfs/dbraw/zinc/90/47/35/442904735.db2.gz HTWCDGXIDXFJOB-CABCVRRESA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](C[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1)c1nccs1 ZINC000183252426 442911340 /nfs/dbraw/zinc/91/13/40/442911340.db2.gz KFIHPRUZRYYNNO-CQSZACIVSA-N 2 1 346.504 1.920 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1)c1nccs1 ZINC000183252426 442911345 /nfs/dbraw/zinc/91/13/45/442911345.db2.gz KFIHPRUZRYYNNO-CQSZACIVSA-N 2 1 346.504 1.920 20 0 EDADMP COC[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000265852107 442944808 /nfs/dbraw/zinc/94/48/08/442944808.db2.gz YXYWUFQGJUPSRT-BHIYHBOVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000194737832 442946150 /nfs/dbraw/zinc/94/61/50/442946150.db2.gz PYUULDMQMLNMKM-MJGOQNOKSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000194737832 442946156 /nfs/dbraw/zinc/94/61/56/442946156.db2.gz PYUULDMQMLNMKM-MJGOQNOKSA-N 2 1 344.503 1.261 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194841915 442960384 /nfs/dbraw/zinc/96/03/84/442960384.db2.gz DIYDQXVAKBLIKU-OAGGEKHMSA-N 2 1 328.501 1.467 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194841915 442960388 /nfs/dbraw/zinc/96/03/88/442960388.db2.gz DIYDQXVAKBLIKU-OAGGEKHMSA-N 2 1 328.501 1.467 20 0 EDADMP CCn1cc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cn1 ZINC000195119006 442983756 /nfs/dbraw/zinc/98/37/56/442983756.db2.gz BDXGKZDFJOEBFM-MRXNPFEDSA-N 2 1 336.484 1.783 20 0 EDADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCC[N@@H+]3C)nc2)CC1 ZINC000268710320 443084635 /nfs/dbraw/zinc/08/46/35/443084635.db2.gz IEEAAQABGAPPIL-MRXNPFEDSA-N 2 1 331.464 1.645 20 0 EDADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+]3C)nc2)CC1 ZINC000268710320 443084638 /nfs/dbraw/zinc/08/46/38/443084638.db2.gz IEEAAQABGAPPIL-MRXNPFEDSA-N 2 1 331.464 1.645 20 0 EDADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000236604222 443140830 /nfs/dbraw/zinc/14/08/30/443140830.db2.gz BFIOYOSMYXRJDM-ZWKOTPCHSA-N 2 1 345.487 1.564 20 0 EDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268809996 443115996 /nfs/dbraw/zinc/11/59/96/443115996.db2.gz DNAVHZCCVMIKFD-AEFFLSMTSA-N 3 1 335.492 1.734 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000266412571 443120392 /nfs/dbraw/zinc/12/03/92/443120392.db2.gz CQOBCKNEEVKDDQ-AWEZNQCLSA-N 2 1 345.443 1.945 20 0 EDADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000261694245 443164628 /nfs/dbraw/zinc/16/46/28/443164628.db2.gz NZQAOFUEYLJIMF-MRXNPFEDSA-N 2 1 346.475 1.215 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@H](O)C34CCC4)CC2)CC1 ZINC000619069800 450399102 /nfs/dbraw/zinc/39/91/02/450399102.db2.gz FPRPLKKEBAPBEH-ROUUACIJSA-N 2 1 349.519 1.602 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000261718737 443165919 /nfs/dbraw/zinc/16/59/19/443165919.db2.gz FAGBMYGSPGTLJU-SOLBZPMBSA-N 2 1 330.476 1.171 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000237317243 443168943 /nfs/dbraw/zinc/16/89/43/443168943.db2.gz OTANWDIDRCFYFW-ZDUSSCGKSA-N 2 1 335.448 1.034 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000237317243 443168946 /nfs/dbraw/zinc/16/89/46/443168946.db2.gz OTANWDIDRCFYFW-ZDUSSCGKSA-N 2 1 335.448 1.034 20 0 EDADMP CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261866253 443172200 /nfs/dbraw/zinc/17/22/00/443172200.db2.gz NNXUWMQRSFDGHI-JKSUJKDBSA-N 2 1 333.480 1.544 20 0 EDADMP CC(C)n1ccnc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261866253 443172204 /nfs/dbraw/zinc/17/22/04/443172204.db2.gz NNXUWMQRSFDGHI-JKSUJKDBSA-N 2 1 333.480 1.544 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261877632 443172602 /nfs/dbraw/zinc/17/26/02/443172602.db2.gz YBPKQQXNMXHPEJ-UAGQMJEPSA-N 2 1 346.475 1.531 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261877632 443172606 /nfs/dbraw/zinc/17/26/06/443172606.db2.gz YBPKQQXNMXHPEJ-UAGQMJEPSA-N 2 1 346.475 1.531 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000261936889 443174937 /nfs/dbraw/zinc/17/49/37/443174937.db2.gz KCXYLJWMNRDGBT-ZFWWWQNUSA-N 2 1 335.473 1.263 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H](C[NH3+])C3)cc2F)CC1 ZINC000236993360 443154920 /nfs/dbraw/zinc/15/49/20/443154920.db2.gz ZMSQWRWWNNEWCT-HNNXBMFYSA-N 2 1 348.466 1.779 20 0 EDADMP CS(=O)(=O)NCC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261619032 443161059 /nfs/dbraw/zinc/16/10/59/443161059.db2.gz HJQOVZGHYGBMDV-CQSZACIVSA-N 2 1 343.518 1.241 20 0 EDADMP CS(=O)(=O)NCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261619032 443161060 /nfs/dbraw/zinc/16/10/60/443161060.db2.gz HJQOVZGHYGBMDV-CQSZACIVSA-N 2 1 343.518 1.241 20 0 EDADMP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000269235360 443244315 /nfs/dbraw/zinc/24/43/15/443244315.db2.gz GHTCZVWUPTUAJR-ROUUACIJSA-N 2 1 331.460 1.046 20 0 EDADMP COc1cc2nc(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)nc(N)c2cc1OC ZINC000266768156 443234375 /nfs/dbraw/zinc/23/43/75/443234375.db2.gz XPOFYROOKRDPRP-NEPJUHHUSA-N 2 1 343.431 1.902 20 0 EDADMP C[N@H+]1CCCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000266773151 443236454 /nfs/dbraw/zinc/23/64/54/443236454.db2.gz KKIGLNMJSSSKAS-GOSISDBHSA-N 2 1 331.460 1.442 20 0 EDADMP C[N@@H+]1CCCN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000266773151 443236460 /nfs/dbraw/zinc/23/64/60/443236460.db2.gz KKIGLNMJSSSKAS-GOSISDBHSA-N 2 1 331.460 1.442 20 0 EDADMP C[N@H+]1CCCN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000266773151 443236462 /nfs/dbraw/zinc/23/64/62/443236462.db2.gz KKIGLNMJSSSKAS-GOSISDBHSA-N 2 1 331.460 1.442 20 0 EDADMP C[NH+]1CCCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000266773151 443236471 /nfs/dbraw/zinc/23/64/71/443236471.db2.gz KKIGLNMJSSSKAS-GOSISDBHSA-N 2 1 331.460 1.442 20 0 EDADMP C[C@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000262712402 443207726 /nfs/dbraw/zinc/20/77/26/443207726.db2.gz FSTCUJIBWOBABH-BZUAXINKSA-N 2 1 333.480 1.658 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000262915790 443216632 /nfs/dbraw/zinc/21/66/32/443216632.db2.gz RFWCWGRUZLSSMK-GOSISDBHSA-N 2 1 333.476 1.721 20 0 EDADMP CCS(=O)(=O)NCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730418 443246287 /nfs/dbraw/zinc/24/62/87/443246287.db2.gz UXTPVKGVUIJAOR-LSDHHAIUSA-N 2 1 331.526 1.558 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000269246699 443249309 /nfs/dbraw/zinc/24/93/09/443249309.db2.gz VKUDBZUAONSYPP-KRWDZBQOSA-N 2 1 346.475 1.064 20 0 EDADMP C[C@@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000269250880 443251024 /nfs/dbraw/zinc/25/10/24/443251024.db2.gz GWOUXMAZOKZAEI-IEBWSBKVSA-N 2 1 345.487 1.878 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1 ZINC000411553743 319184000 /nfs/dbraw/zinc/18/40/00/319184000.db2.gz RWZJXATVNCJSJB-ZACQAIPSSA-N 2 1 341.496 1.008 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1 ZINC000411553743 319184002 /nfs/dbraw/zinc/18/40/02/319184002.db2.gz RWZJXATVNCJSJB-ZACQAIPSSA-N 2 1 341.496 1.008 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCOC)[C@H]2CCCSC2)CC1 ZINC000411763778 319201205 /nfs/dbraw/zinc/20/12/05/319201205.db2.gz ZCYGOPQBMTTZPO-INIZCTEOSA-N 2 1 343.537 1.431 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412252739 319228569 /nfs/dbraw/zinc/22/85/69/319228569.db2.gz QPMRSBFCTCZMFX-LJQANCHMSA-N 2 1 331.460 1.469 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000413511786 319272516 /nfs/dbraw/zinc/27/25/16/319272516.db2.gz XCDONMIQIJFLQF-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000413511786 319272517 /nfs/dbraw/zinc/27/25/17/319272517.db2.gz XCDONMIQIJFLQF-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000413511786 319272519 /nfs/dbraw/zinc/27/25/19/319272519.db2.gz XCDONMIQIJFLQF-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000414661970 319337879 /nfs/dbraw/zinc/33/78/79/319337879.db2.gz PHMIEJJFDGDIDK-OAHLLOKOSA-N 2 1 346.475 1.725 20 0 EDADMP C[C@@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)C[NH+]1CCOCC1 ZINC000185796841 443258418 /nfs/dbraw/zinc/25/84/18/443258418.db2.gz DEDIHJICOGYCRP-INIZCTEOSA-N 2 1 340.512 1.376 20 0 EDADMP CN1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000414672023 319339356 /nfs/dbraw/zinc/33/93/56/319339356.db2.gz OSNNGRXOXJAUSI-SJLPKXTDSA-N 2 1 330.476 1.172 20 0 EDADMP CC[N@H+](Cc1c(F)cccc1F)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414688300 319342884 /nfs/dbraw/zinc/34/28/84/319342884.db2.gz CYLXVODMTVAMNW-ZDUSSCGKSA-N 2 1 325.403 1.984 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415197659 319349635 /nfs/dbraw/zinc/34/96/35/319349635.db2.gz SUYGETAMBGMOQE-KRWDZBQOSA-N 2 1 342.443 1.361 20 0 EDADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+](C2CCC2)C1 ZINC000415269194 319359111 /nfs/dbraw/zinc/35/91/11/319359111.db2.gz OWFATMCGFNTOEZ-CQSZACIVSA-N 2 1 344.459 1.417 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)C2(C)CC2)C1 ZINC000246134587 443271065 /nfs/dbraw/zinc/27/10/65/443271065.db2.gz MTPWRQUZPIZNFN-HZPDHXFCSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H](C)C2(C)CC2)C1 ZINC000246134587 443271068 /nfs/dbraw/zinc/27/10/68/443271068.db2.gz MTPWRQUZPIZNFN-HZPDHXFCSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H](C)C2(C)CC2)C1 ZINC000246134587 443271071 /nfs/dbraw/zinc/27/10/71/443271071.db2.gz MTPWRQUZPIZNFN-HZPDHXFCSA-N 2 1 325.497 1.580 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000415969598 319386221 /nfs/dbraw/zinc/38/62/21/319386221.db2.gz GNUHRWZXBHQVOK-WMLDXEAASA-N 2 1 332.448 1.590 20 0 EDADMP CC(C)[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000269313302 443278397 /nfs/dbraw/zinc/27/83/97/443278397.db2.gz XYDDTHNVDJGJMH-ZWKOTPCHSA-N 2 1 332.492 1.465 20 0 EDADMP CC(C)[C@@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000269313302 443278400 /nfs/dbraw/zinc/27/84/00/443278400.db2.gz XYDDTHNVDJGJMH-ZWKOTPCHSA-N 2 1 332.492 1.465 20 0 EDADMP CC(C)[C@@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000269313302 443278403 /nfs/dbraw/zinc/27/84/03/443278403.db2.gz XYDDTHNVDJGJMH-ZWKOTPCHSA-N 2 1 332.492 1.465 20 0 EDADMP Cc1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1NC(=O)CC[NH+](C)C ZINC000185848046 443269067 /nfs/dbraw/zinc/26/90/67/443269067.db2.gz NADPMZQQDUBZTI-INIZCTEOSA-N 2 1 348.447 1.154 20 0 EDADMP Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1NC(=O)CC[NH+](C)C ZINC000185848046 443269070 /nfs/dbraw/zinc/26/90/70/443269070.db2.gz NADPMZQQDUBZTI-INIZCTEOSA-N 2 1 348.447 1.154 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)CC1 ZINC000191494185 443302951 /nfs/dbraw/zinc/30/29/51/443302951.db2.gz BTZVAWPOPHETBV-MRXNPFEDSA-N 2 1 345.553 1.300 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)CC1 ZINC000191494185 443302952 /nfs/dbraw/zinc/30/29/52/443302952.db2.gz BTZVAWPOPHETBV-MRXNPFEDSA-N 2 1 345.553 1.300 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C[C@@H](C)O1 ZINC000416928138 319476631 /nfs/dbraw/zinc/47/66/31/319476631.db2.gz XPLWTQSISLKQDY-GBJTYRQASA-N 2 1 326.485 1.171 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416955294 319484957 /nfs/dbraw/zinc/48/49/57/319484957.db2.gz MECBKTVKUANTOR-GOEBONIOSA-N 2 1 326.485 1.114 20 0 EDADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCS(N)(=O)=O ZINC000282390846 443324514 /nfs/dbraw/zinc/32/45/14/443324514.db2.gz DNBLCLZLGLFNGV-INIZCTEOSA-N 2 1 339.505 1.555 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCS(N)(=O)=O ZINC000282390846 443324518 /nfs/dbraw/zinc/32/45/18/443324518.db2.gz DNBLCLZLGLFNGV-INIZCTEOSA-N 2 1 339.505 1.555 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC000278417208 443324636 /nfs/dbraw/zinc/32/46/36/443324636.db2.gz FVZCMDYCUZEFSE-AEFFLSMTSA-N 2 1 333.476 1.906 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC000278417208 443324639 /nfs/dbraw/zinc/32/46/39/443324639.db2.gz FVZCMDYCUZEFSE-AEFFLSMTSA-N 2 1 333.476 1.906 20 0 EDADMP O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000282397770 443326886 /nfs/dbraw/zinc/32/68/86/443326886.db2.gz KHNABCMQHZGSQR-BZSNNMDCSA-N 2 1 343.471 1.883 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCN2C(=O)c3ccccc3C2=O)CCCO1 ZINC000278455043 443337038 /nfs/dbraw/zinc/33/70/38/443337038.db2.gz YODLGOQYSPNZCA-OAHLLOKOSA-N 2 1 345.443 1.373 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[NH2+][C@@H]3CC[NH2+]CC3(C)C)CC2)c1 ZINC000420370526 319612164 /nfs/dbraw/zinc/61/21/64/319612164.db2.gz WDTTVFPYKWBMPJ-GOSISDBHSA-N 2 1 344.503 1.621 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000265006453 443507473 /nfs/dbraw/zinc/50/74/73/443507473.db2.gz YLRWUOXPSDEUAU-INIZCTEOSA-N 2 1 325.403 1.949 20 0 EDADMP CC[C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1[NH+]1CCOCC1 ZINC000423876065 319822823 /nfs/dbraw/zinc/82/28/23/319822823.db2.gz NMUMWRXECOOBLX-BXEXHWSDSA-N 2 1 335.492 1.476 20 0 EDADMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000265265408 443588436 /nfs/dbraw/zinc/58/84/36/443588436.db2.gz ZGUQMWHSEUZJRK-UHFFFAOYSA-N 2 1 337.439 1.933 20 0 EDADMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000265265408 443588439 /nfs/dbraw/zinc/58/84/39/443588439.db2.gz ZGUQMWHSEUZJRK-UHFFFAOYSA-N 2 1 337.439 1.933 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@H]1C ZINC000265280185 443593063 /nfs/dbraw/zinc/59/30/63/443593063.db2.gz JMYBFHWOKODYQT-MRXNPFEDSA-N 2 1 349.475 1.420 20 0 EDADMP COCC[N@H+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@H]1C ZINC000265280185 443593068 /nfs/dbraw/zinc/59/30/68/443593068.db2.gz JMYBFHWOKODYQT-MRXNPFEDSA-N 2 1 349.475 1.420 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000434394407 320000202 /nfs/dbraw/zinc/00/02/02/320000202.db2.gz LCNJLFCQHFUAKR-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000434394407 320000204 /nfs/dbraw/zinc/00/02/04/320000204.db2.gz LCNJLFCQHFUAKR-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000434394407 320000206 /nfs/dbraw/zinc/00/02/06/320000206.db2.gz LCNJLFCQHFUAKR-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000434394407 320000208 /nfs/dbraw/zinc/00/02/08/320000208.db2.gz LCNJLFCQHFUAKR-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)C1(C)C ZINC000444191401 320119571 /nfs/dbraw/zinc/11/95/71/320119571.db2.gz XJKTVBQIPCTLCR-FSZRXZPDSA-N 2 1 325.497 1.898 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[NH2+]C[C@H]3C)C2)cc(OC)c1 ZINC000449364037 320184274 /nfs/dbraw/zinc/18/42/74/320184274.db2.gz PIGFWMPXGMGGQX-DDUZABMNSA-N 2 1 347.459 1.250 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3C[NH2+]C[C@H]3C)C2)cc(OC)c1 ZINC000449364037 320184275 /nfs/dbraw/zinc/18/42/75/320184275.db2.gz PIGFWMPXGMGGQX-DDUZABMNSA-N 2 1 347.459 1.250 20 0 EDADMP OC1CCN(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000449645275 320196514 /nfs/dbraw/zinc/19/65/14/320196514.db2.gz JDYWXLLDYQHDJD-HMXCVIKNSA-N 2 1 343.515 1.943 20 0 EDADMP OC1CCN(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000449645276 320196618 /nfs/dbraw/zinc/19/66/18/320196618.db2.gz JDYWXLLDYQHDJD-SESVDKBCSA-N 2 1 343.515 1.943 20 0 EDADMP C[C@@H](CNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+](C)C ZINC000455446146 320303369 /nfs/dbraw/zinc/30/33/69/320303369.db2.gz VNLBPFCLLAPDMC-HRCADAONSA-N 2 1 340.512 1.467 20 0 EDADMP CC[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000457628075 320331899 /nfs/dbraw/zinc/33/18/99/320331899.db2.gz ULPFXGSUNUJPSG-VQIMIIECSA-N 2 1 349.519 1.820 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000457747953 320334930 /nfs/dbraw/zinc/33/49/30/320334930.db2.gz UNOLNAZTRDYPEQ-DLBZAZTESA-N 2 1 340.512 1.207 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000457747953 320334931 /nfs/dbraw/zinc/33/49/31/320334931.db2.gz UNOLNAZTRDYPEQ-DLBZAZTESA-N 2 1 340.512 1.207 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000457747953 320334932 /nfs/dbraw/zinc/33/49/32/320334932.db2.gz UNOLNAZTRDYPEQ-DLBZAZTESA-N 2 1 340.512 1.207 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000457747953 320334933 /nfs/dbraw/zinc/33/49/33/320334933.db2.gz UNOLNAZTRDYPEQ-DLBZAZTESA-N 2 1 340.512 1.207 20 0 EDADMP CC[NH+]1CCN(c2cccc(N[C@H]3CC[N@@H+](CCOC)C3)c2)CC1 ZINC000276436218 443704671 /nfs/dbraw/zinc/70/46/71/443704671.db2.gz QSJOVQQOKYDFEK-SFHVURJKSA-N 2 1 332.492 1.961 20 0 EDADMP CC[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)N1CCCC1=O ZINC000519811152 320473761 /nfs/dbraw/zinc/47/37/61/320473761.db2.gz NWEDPTMXSSYOMS-HNNXBMFYSA-N 2 1 345.447 1.173 20 0 EDADMP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000276537143 443739273 /nfs/dbraw/zinc/73/92/73/443739273.db2.gz DEIGISALFPAGPN-MRXNPFEDSA-N 2 1 343.471 1.169 20 0 EDADMP COCCN(C)c1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC000276668430 443785148 /nfs/dbraw/zinc/78/51/48/443785148.db2.gz YBIUTDSXADYDDA-INIZCTEOSA-N 2 1 329.448 1.713 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC(C)([NH+]3CCOCC3)CC1)C2 ZINC000529908004 320599833 /nfs/dbraw/zinc/59/98/33/320599833.db2.gz CYNHMAYWQXOVDW-INIZCTEOSA-N 2 1 346.475 1.467 20 0 EDADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000298891883 443894607 /nfs/dbraw/zinc/89/46/07/443894607.db2.gz XEXVQNIKTNJJFK-LSDHHAIUSA-N 2 1 346.475 1.852 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000288502922 443901616 /nfs/dbraw/zinc/90/16/16/443901616.db2.gz BJOSMEYXBFJRBM-INIZCTEOSA-N 2 1 335.448 1.424 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000288562415 443919144 /nfs/dbraw/zinc/91/91/44/443919144.db2.gz WHYRZAMKOUTMDZ-MRXNPFEDSA-N 2 1 331.460 1.298 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000299473441 444055596 /nfs/dbraw/zinc/05/55/96/444055596.db2.gz YQPLYHDZSLRDHV-NZSAHSFTSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000299473441 444055601 /nfs/dbraw/zinc/05/56/01/444055601.db2.gz YQPLYHDZSLRDHV-NZSAHSFTSA-N 2 1 345.487 1.782 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)CC1 ZINC000293581814 444060372 /nfs/dbraw/zinc/06/03/72/444060372.db2.gz YNZQYOKUVBQZMG-RBUKOAKNSA-N 2 1 342.487 1.258 20 0 EDADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000557297510 321001842 /nfs/dbraw/zinc/00/18/42/321001842.db2.gz VLAHFEKRLHHFHF-INIZCTEOSA-N 2 1 346.475 1.135 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000562666899 321067902 /nfs/dbraw/zinc/06/79/02/321067902.db2.gz ANCSWIKCPVFHRG-ZACQAIPSSA-N 2 1 338.496 1.100 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000562820845 321079460 /nfs/dbraw/zinc/07/94/60/321079460.db2.gz LOUGVTKEEASCGK-MRXNPFEDSA-N 2 1 348.447 1.321 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000564431178 321131353 /nfs/dbraw/zinc/13/13/53/321131353.db2.gz ZXZIPPBTAHNYNA-NEWSRXKRSA-N 2 1 344.503 1.991 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000565038560 321165455 /nfs/dbraw/zinc/16/54/55/321165455.db2.gz HBSOEEDBNMHJDC-GOSISDBHSA-N 2 1 336.524 1.251 20 0 EDADMP CCC[N@@H+](C[C@H](O)CN(C)CCOC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000565549720 321191334 /nfs/dbraw/zinc/19/13/34/321191334.db2.gz PBOCQZBMMMQGLS-QBPKDAKJSA-N 2 1 328.497 1.451 20 0 EDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000566811511 321234200 /nfs/dbraw/zinc/23/42/00/321234200.db2.gz WMFPBOIAVJKBLV-CXAGYDPISA-N 2 1 337.489 1.643 20 0 EDADMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COCc1ccccc1F ZINC000570093918 321337483 /nfs/dbraw/zinc/33/74/83/321337483.db2.gz UADLUXRSJAOPFL-KRWDZBQOSA-N 2 1 340.439 1.140 20 0 EDADMP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000571389191 321385533 /nfs/dbraw/zinc/38/55/33/321385533.db2.gz FGYZMZOSUOARHH-INTUILBWSA-N 2 1 348.495 1.457 20 0 EDADMP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000571389191 321385535 /nfs/dbraw/zinc/38/55/35/321385535.db2.gz FGYZMZOSUOARHH-INTUILBWSA-N 2 1 348.495 1.457 20 0 EDADMP C[NH2+][C@H](C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1cnn(C)c1 ZINC000285796272 444110281 /nfs/dbraw/zinc/11/02/81/444110281.db2.gz PRSTZFFCCDASAK-INIZCTEOSA-N 2 1 333.411 1.068 20 0 EDADMP C[NH2+][C@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1cnn(C)c1 ZINC000285796272 444110282 /nfs/dbraw/zinc/11/02/82/444110282.db2.gz PRSTZFFCCDASAK-INIZCTEOSA-N 2 1 333.411 1.068 20 0 EDADMP O=C(C[C@H]1COCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000285813631 444116246 /nfs/dbraw/zinc/11/62/46/444116246.db2.gz SCLUBCMNHSSARC-HRVKUGKESA-N 2 1 343.471 1.677 20 0 EDADMP COc1ccc2c(c1)C1(CC1)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000289413566 444136072 /nfs/dbraw/zinc/13/60/72/444136072.db2.gz BDDHZCLQSKYRKS-UHFFFAOYSA-N 2 1 343.471 1.707 20 0 EDADMP COc1ccc2c(c1)C1(CC1)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000289413566 444136073 /nfs/dbraw/zinc/13/60/73/444136073.db2.gz BDDHZCLQSKYRKS-UHFFFAOYSA-N 2 1 343.471 1.707 20 0 EDADMP C[NH2+][C@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000285906595 444148937 /nfs/dbraw/zinc/14/89/37/444148937.db2.gz DDMKQKWZOQEWOB-YJBOKZPZSA-N 2 1 343.475 1.707 20 0 EDADMP C[NH2+][C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000285906595 444148941 /nfs/dbraw/zinc/14/89/41/444148941.db2.gz DDMKQKWZOQEWOB-YJBOKZPZSA-N 2 1 343.475 1.707 20 0 EDADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1-n1ccnn1 ZINC000285969149 444165650 /nfs/dbraw/zinc/16/56/50/444165650.db2.gz GZZDSLDHPMLKFM-KRWDZBQOSA-N 2 1 342.491 1.946 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC)nc1 ZINC000299712779 444122530 /nfs/dbraw/zinc/12/25/30/444122530.db2.gz JCWYJIFXTMMTSJ-INIZCTEOSA-N 2 1 334.464 1.578 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(C)=O)cn1C ZINC000299718584 444123667 /nfs/dbraw/zinc/12/36/67/444123667.db2.gz LRFQRXLINBFPBA-QGZVFWFLSA-N 2 1 348.491 1.716 20 0 EDADMP C[C@H]1CCCN(c2cc(N3CCN(CCO)C(C)(C)C3)ncn2)C1 ZINC000302561703 444216221 /nfs/dbraw/zinc/21/62/21/444216221.db2.gz UQWXFVDFRQVDBV-HNNXBMFYSA-N 2 1 333.480 1.606 20 0 EDADMP Cc1ccc2[nH+]ccc(N(C)C[C@@H](O)CN3CC[NH+](C)CC3)c2c1 ZINC000302611733 444217732 /nfs/dbraw/zinc/21/77/32/444217732.db2.gz BPWJGQKMOXCEOM-MRXNPFEDSA-N 2 1 328.460 1.588 20 0 EDADMP COc1ccccc1O[C@@H]1CCCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000289780747 444202719 /nfs/dbraw/zinc/20/27/19/444202719.db2.gz MRXOGUSDHTXCEM-IAGOWNOFSA-N 2 1 334.460 1.994 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)c1cc(N2CCCC[C@H]2CO)ncn1 ZINC000302889202 444229763 /nfs/dbraw/zinc/22/97/63/444229763.db2.gz NCFQAAAYSFVTIV-HOTGVXAUSA-N 2 1 333.480 1.606 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000290007783 444230228 /nfs/dbraw/zinc/23/02/28/444230228.db2.gz DOWRTFDDFXKCAG-ROUUACIJSA-N 2 1 348.466 1.452 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCCC[C@H]4CO)ncn3)CC[C@H]21 ZINC000302917494 444232114 /nfs/dbraw/zinc/23/21/14/444232114.db2.gz WZQJDPXKTNTJMQ-IXDOHACOSA-N 2 1 345.491 1.748 20 0 EDADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000303268816 444235991 /nfs/dbraw/zinc/23/59/91/444235991.db2.gz JBHXIKLMDLRQEV-CABCVRRESA-N 2 1 327.513 1.704 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000304291142 444245518 /nfs/dbraw/zinc/24/55/18/444245518.db2.gz JNCDEQASOPWVJC-WOJBJXKFSA-N 2 1 347.503 1.133 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000304291142 444245519 /nfs/dbraw/zinc/24/55/19/444245519.db2.gz JNCDEQASOPWVJC-WOJBJXKFSA-N 2 1 347.503 1.133 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309731160 444289805 /nfs/dbraw/zinc/28/98/05/444289805.db2.gz PDJOTNMFTHDGEU-IAGOWNOFSA-N 2 1 333.501 1.720 20 0 EDADMP COc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc(Cl)c1OCC(N)=O ZINC000323999520 444349239 /nfs/dbraw/zinc/34/92/39/444349239.db2.gz LPJKJDWUSREZBJ-LLVKDONJSA-N 2 1 343.855 1.500 20 0 EDADMP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000340517310 444421977 /nfs/dbraw/zinc/42/19/77/444421977.db2.gz MZQJHDUBOBHNPX-QZTJIDSGSA-N 2 1 329.448 1.413 20 0 EDADMP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337750194 444387983 /nfs/dbraw/zinc/38/79/83/444387983.db2.gz IOVCEZVBCVYWCB-GOSISDBHSA-N 2 1 337.439 1.724 20 0 EDADMP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337750194 444387988 /nfs/dbraw/zinc/38/79/88/444387988.db2.gz IOVCEZVBCVYWCB-GOSISDBHSA-N 2 1 337.439 1.724 20 0 EDADMP CC[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000340480482 444397336 /nfs/dbraw/zinc/39/73/36/444397336.db2.gz OWLORHZPMQELJM-QRVBRYPASA-N 2 1 343.475 1.529 20 0 EDADMP CC[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000340480482 444397340 /nfs/dbraw/zinc/39/73/40/444397340.db2.gz OWLORHZPMQELJM-QRVBRYPASA-N 2 1 343.475 1.529 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331212402 444446061 /nfs/dbraw/zinc/44/60/61/444446061.db2.gz ZPNNVCLVFNKKBE-HNNXBMFYSA-N 2 1 339.505 1.901 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000331218581 444447208 /nfs/dbraw/zinc/44/72/08/444447208.db2.gz HOLWGAMIRJBXBX-BBRMVZONSA-N 2 1 343.468 1.376 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000580311545 322035396 /nfs/dbraw/zinc/03/53/96/322035396.db2.gz LSKOJDIZCKGLMS-KBPBESRZSA-N 2 1 348.447 1.002 20 0 EDADMP COc1ccc2ccccc2c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580570565 322069543 /nfs/dbraw/zinc/06/95/43/322069543.db2.gz CHPTYOZNKIFTKH-YOEHRIQHSA-N 2 1 325.412 1.592 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000580633039 322075812 /nfs/dbraw/zinc/07/58/12/322075812.db2.gz XNIWMBYUWNZUEB-GOSISDBHSA-N 2 1 339.528 1.091 20 0 EDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000581245506 322153544 /nfs/dbraw/zinc/15/35/44/322153544.db2.gz DNQWRQGCJQSDJW-MAUKXSAKSA-N 2 1 330.476 1.677 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000581258531 322156831 /nfs/dbraw/zinc/15/68/31/322156831.db2.gz DZKZHPMDCRVRBF-QGZVFWFLSA-N 2 1 344.459 1.170 20 0 EDADMP COc1cccc2c(N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc(C)[nH+]c12 ZINC000581381243 322171454 /nfs/dbraw/zinc/17/14/54/322171454.db2.gz VGMPNCDWZGUCPQ-GXTWGEPZSA-N 2 1 326.400 1.300 20 0 EDADMP COC(=O)[C@@](C)(O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000343709104 444535644 /nfs/dbraw/zinc/53/56/44/444535644.db2.gz CCEAXPRAAJBMTC-SFHVURJKSA-N 2 1 335.448 1.544 20 0 EDADMP CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000332594887 444520889 /nfs/dbraw/zinc/52/08/89/444520889.db2.gz GLHGDUSJTRRWRY-CVEARBPZSA-N 2 1 329.510 1.405 20 0 EDADMP C[C@H]1C[N@@H+](C[C@H](O)COC(C)(C)C)CCN1C1CC[NH+](C)CC1 ZINC000343713697 444539922 /nfs/dbraw/zinc/53/99/22/444539922.db2.gz GXDZZCBHPIUXEI-RDJZCZTQSA-N 2 1 327.513 1.263 20 0 EDADMP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@H]1CC[NH2+]CC1(F)F ZINC000343861668 444633261 /nfs/dbraw/zinc/63/32/61/444633261.db2.gz GVVKZGXQEDWAKY-SNVBAGLBSA-N 2 1 330.404 1.793 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000338300620 444619422 /nfs/dbraw/zinc/61/94/22/444619422.db2.gz CPFWUCMFLMISDY-CVEARBPZSA-N 2 1 340.512 1.659 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@@H]1[NH+]1CCOCC1 ZINC000333318350 444656836 /nfs/dbraw/zinc/65/68/36/444656836.db2.gz MQADXPRFUJRADN-KSSFIOAISA-N 2 1 344.459 1.864 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000329639970 444660661 /nfs/dbraw/zinc/66/06/61/444660661.db2.gz WVAPHUIFGCZXFS-YOEHRIQHSA-N 2 1 337.489 1.656 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000338331431 444638552 /nfs/dbraw/zinc/63/85/52/444638552.db2.gz HCPRQLNIXUKYJL-UHFFFAOYSA-N 2 1 331.420 1.347 20 0 EDADMP COCC1(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC[NH2+]CC1 ZINC000333856371 444703407 /nfs/dbraw/zinc/70/34/07/444703407.db2.gz RAJBSDRPLGMRDQ-CVEARBPZSA-N 2 1 338.496 1.128 20 0 EDADMP CC1CCC(NC(=O)C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1 ZINC000333859297 444703801 /nfs/dbraw/zinc/70/38/01/444703801.db2.gz PMFUFRJEQVRIHG-BACDZXNISA-N 2 1 335.492 1.382 20 0 EDADMP Cc1cccc(NC(=O)C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1C ZINC000333880425 444706690 /nfs/dbraw/zinc/70/66/90/444706690.db2.gz UJORAXOLQVHHHS-AEFFLSMTSA-N 2 1 343.471 1.942 20 0 EDADMP [NH3+]C[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333921329 444718877 /nfs/dbraw/zinc/71/88/77/444718877.db2.gz QNVIMHYXTQXXTM-INIZCTEOSA-N 2 1 338.496 1.544 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000341201457 444725524 /nfs/dbraw/zinc/72/55/24/444725524.db2.gz NZTLLQNPTSSNCJ-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000341201457 444725526 /nfs/dbraw/zinc/72/55/26/444725526.db2.gz NZTLLQNPTSSNCJ-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000341201457 444725531 /nfs/dbraw/zinc/72/55/31/444725531.db2.gz NZTLLQNPTSSNCJ-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCOC[C@@H]2C)C1 ZINC000341123073 444684753 /nfs/dbraw/zinc/68/47/53/444684753.db2.gz KRFPNSFJDZMHRP-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000342422568 444685473 /nfs/dbraw/zinc/68/54/73/444685473.db2.gz HASWXRHJJAPJFR-ZBFHGGJFSA-N 2 1 325.522 1.614 20 0 EDADMP Cc1ccc2nc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc(=O)n2c1 ZINC000344039881 444744724 /nfs/dbraw/zinc/74/47/24/444744724.db2.gz UZUHHKPJNQRLHF-UHFFFAOYSA-N 2 1 345.491 1.318 20 0 EDADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000341257908 444751297 /nfs/dbraw/zinc/75/12/97/444751297.db2.gz KLSSCONRJZXNAL-RDJZCZTQSA-N 2 1 330.476 1.883 20 0 EDADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)[C@H]1C ZINC000344054539 444753442 /nfs/dbraw/zinc/75/34/42/444753442.db2.gz JCUREKSRPYDARF-FGTMMUONSA-N 2 1 340.556 1.743 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000334043637 444758047 /nfs/dbraw/zinc/75/80/47/444758047.db2.gz PGTWTVUUAXMLCJ-YESZJQIVSA-N 2 1 338.496 1.148 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000344061886 444759114 /nfs/dbraw/zinc/75/91/14/444759114.db2.gz MYKJQMYUKBJGKU-IRXDYDNUSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000344061886 444759121 /nfs/dbraw/zinc/75/91/21/444759121.db2.gz MYKJQMYUKBJGKU-IRXDYDNUSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000344061886 444759125 /nfs/dbraw/zinc/75/91/25/444759125.db2.gz MYKJQMYUKBJGKU-IRXDYDNUSA-N 2 1 339.524 1.827 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)C[N@@H+](C)C(C)C)CCCC2)CC1 ZINC000341281543 444761094 /nfs/dbraw/zinc/76/10/94/444761094.db2.gz HSGCMHMNJKJXFV-UHFFFAOYSA-N 2 1 325.497 1.866 20 0 EDADMP CCC[N@H+](CCC(=O)N1CCC[C@@H]1C)CCN1CC[NH+](CC)CC1 ZINC000344133681 444799119 /nfs/dbraw/zinc/79/91/19/444799119.db2.gz QNWNYKPKQPMSHQ-SFHVURJKSA-N 2 1 338.540 1.737 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330011408 444810233 /nfs/dbraw/zinc/81/02/33/444810233.db2.gz IWQVPPRYALUREC-WFASDCNBSA-N 2 1 344.463 1.777 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330011408 444810238 /nfs/dbraw/zinc/81/02/38/444810238.db2.gz IWQVPPRYALUREC-WFASDCNBSA-N 2 1 344.463 1.777 20 0 EDADMP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000330022836 444814002 /nfs/dbraw/zinc/81/40/02/444814002.db2.gz HSNSKMGFOFQETB-VXGBXAGGSA-N 2 1 330.436 1.387 20 0 EDADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cc(C(=O)OC)co1 ZINC000344174612 444821945 /nfs/dbraw/zinc/82/19/45/444821945.db2.gz WIEZBGXRDSNVOL-UHFFFAOYSA-N 2 1 337.464 1.916 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cc(C(=O)OC)co1 ZINC000344174612 444821948 /nfs/dbraw/zinc/82/19/48/444821948.db2.gz WIEZBGXRDSNVOL-UHFFFAOYSA-N 2 1 337.464 1.916 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C(=O)NC)cc1 ZINC000344169165 444819340 /nfs/dbraw/zinc/81/93/40/444819340.db2.gz OIAZQYZUTMNRTN-UHFFFAOYSA-N 2 1 346.519 1.896 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@H]21 ZINC000342730913 444838309 /nfs/dbraw/zinc/83/83/09/444838309.db2.gz XYMAICQOSFYXRV-MKXGPGLRSA-N 2 1 343.471 1.473 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@H]21 ZINC000342730913 444838312 /nfs/dbraw/zinc/83/83/12/444838312.db2.gz XYMAICQOSFYXRV-MKXGPGLRSA-N 2 1 343.471 1.473 20 0 EDADMP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000338766217 444843606 /nfs/dbraw/zinc/84/36/06/444843606.db2.gz KLUABLSDFPHKFO-IXDOHACOSA-N 2 1 327.513 1.967 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000338766217 444843610 /nfs/dbraw/zinc/84/36/10/444843610.db2.gz KLUABLSDFPHKFO-IXDOHACOSA-N 2 1 327.513 1.967 20 0 EDADMP CC[NH+](CCNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000338766217 444843613 /nfs/dbraw/zinc/84/36/13/444843613.db2.gz KLUABLSDFPHKFO-IXDOHACOSA-N 2 1 327.513 1.967 20 0 EDADMP CC[NH+](CCNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000338766217 444843618 /nfs/dbraw/zinc/84/36/18/444843618.db2.gz KLUABLSDFPHKFO-IXDOHACOSA-N 2 1 327.513 1.967 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000342764153 444854656 /nfs/dbraw/zinc/85/46/56/444854656.db2.gz GEGOUJVKHWBADT-IAOVAPTHSA-N 2 1 344.459 1.463 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000342764153 444854660 /nfs/dbraw/zinc/85/46/60/444854660.db2.gz GEGOUJVKHWBADT-IAOVAPTHSA-N 2 1 344.459 1.463 20 0 EDADMP CCC[N@@H+](C)CC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000341704317 444959115 /nfs/dbraw/zinc/95/91/15/444959115.db2.gz HBSCAXIZRRHDDR-UHFFFAOYSA-N 2 1 346.519 1.604 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000342956613 444966338 /nfs/dbraw/zinc/96/63/38/444966338.db2.gz YEWJYJMTBAHLMK-OAHLLOKOSA-N 2 1 349.479 1.258 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000344442454 444974845 /nfs/dbraw/zinc/97/48/45/444974845.db2.gz OKLUUYHBQZSOOZ-QGZVFWFLSA-N 2 1 347.507 1.733 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC000337369606 445051632 /nfs/dbraw/zinc/05/16/32/445051632.db2.gz OLSOWHONYMGESV-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC000337369606 445051635 /nfs/dbraw/zinc/05/16/35/445051635.db2.gz OLSOWHONYMGESV-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000330659045 445084237 /nfs/dbraw/zinc/08/42/37/445084237.db2.gz RCYXSZCCQHXKSQ-ZBFHGGJFSA-N 2 1 325.478 1.203 20 0 EDADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000344611930 445086539 /nfs/dbraw/zinc/08/65/39/445086539.db2.gz IWMGLVCBCXZFQB-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000344611930 445086544 /nfs/dbraw/zinc/08/65/44/445086544.db2.gz IWMGLVCBCXZFQB-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP CCn1nccc1C[N@@H+](CCO)CCCN1CC[NH+](C(C)C)CC1 ZINC000337472300 445095201 /nfs/dbraw/zinc/09/52/01/445095201.db2.gz QAQGJOXNLXXZSH-UHFFFAOYSA-N 2 1 337.512 1.113 20 0 EDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000339243706 445110304 /nfs/dbraw/zinc/11/03/04/445110304.db2.gz MHIVHMXYXJVKJK-STQMWFEESA-N 2 1 327.266 1.819 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000337507903 445110744 /nfs/dbraw/zinc/11/07/44/445110744.db2.gz JJVDJUDLPLKLPS-UHFFFAOYSA-N 2 1 330.436 1.360 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342094216 445168836 /nfs/dbraw/zinc/16/88/36/445168836.db2.gz FASZTTLSXFYDSO-IWCQGFGOSA-N 2 1 344.459 1.460 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C[C@H]21 ZINC000342096343 445169994 /nfs/dbraw/zinc/16/99/94/445169994.db2.gz HGOUVQSMZCMWMW-RBSFLKMASA-N 2 1 331.416 1.091 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C[C@H]21 ZINC000342096343 445169995 /nfs/dbraw/zinc/16/99/95/445169995.db2.gz HGOUVQSMZCMWMW-RBSFLKMASA-N 2 1 331.416 1.091 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000339801146 445171182 /nfs/dbraw/zinc/17/11/82/445171182.db2.gz XJEZVALPLNFJCF-HZMVEIRTSA-N 2 1 327.513 1.967 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000339801146 445171187 /nfs/dbraw/zinc/17/11/87/445171187.db2.gz XJEZVALPLNFJCF-HZMVEIRTSA-N 2 1 327.513 1.967 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)n1nc(C)cc1C ZINC000337580097 445148799 /nfs/dbraw/zinc/14/87/99/445148799.db2.gz NCDWCWXVMPAYHQ-ROUUACIJSA-N 2 1 349.523 1.935 20 0 EDADMP CN(C)c1cc[nH+]cc1CNC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000339546036 445149283 /nfs/dbraw/zinc/14/92/83/445149283.db2.gz IRZUKXZGCJVJDR-IBGZPJMESA-N 2 1 340.471 1.656 20 0 EDADMP COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000345035075 445157681 /nfs/dbraw/zinc/15/76/81/445157681.db2.gz OOXNJWTXNNWLII-CZUORRHYSA-N 2 1 344.415 1.131 20 0 EDADMP CNC(=O)c1ccn([C@H]2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000343354390 445207968 /nfs/dbraw/zinc/20/79/68/445207968.db2.gz IWSUUXWAAURXTL-CVEARBPZSA-N 2 1 333.480 1.754 20 0 EDADMP CNC(=O)c1ccn([C@H]2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000343354390 445207970 /nfs/dbraw/zinc/20/79/70/445207970.db2.gz IWSUUXWAAURXTL-CVEARBPZSA-N 2 1 333.480 1.754 20 0 EDADMP CNC(=O)c1ccn([C@H]2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000343354390 445207971 /nfs/dbraw/zinc/20/79/71/445207971.db2.gz IWSUUXWAAURXTL-CVEARBPZSA-N 2 1 333.480 1.754 20 0 EDADMP CNC(=O)c1ccn([C@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000343354390 445207973 /nfs/dbraw/zinc/20/79/73/445207973.db2.gz IWSUUXWAAURXTL-CVEARBPZSA-N 2 1 333.480 1.754 20 0 EDADMP COc1cccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1OC(C)C ZINC000347070147 445230485 /nfs/dbraw/zinc/23/04/85/445230485.db2.gz PQKNSZGOOPWJBR-MRXNPFEDSA-N 2 1 349.475 1.769 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000343664472 445290291 /nfs/dbraw/zinc/29/02/91/445290291.db2.gz VNWZNEOFAYPHQW-UHFFFAOYSA-N 2 1 338.540 1.641 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@H+](C)C[C@@H]2CCCO2)cc[nH+]1 ZINC000348164494 445297483 /nfs/dbraw/zinc/29/74/83/445297483.db2.gz CWAIUKUZNVOLOK-ZNMIVQPWSA-N 2 1 337.443 1.570 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@@H+](C)C[C@@H]2CCCO2)cc[nH+]1 ZINC000348164494 445297486 /nfs/dbraw/zinc/29/74/86/445297486.db2.gz CWAIUKUZNVOLOK-ZNMIVQPWSA-N 2 1 337.443 1.570 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000348272773 445334879 /nfs/dbraw/zinc/33/48/79/445334879.db2.gz BJRREBDBSDYVQN-MRXNPFEDSA-N 2 1 345.487 1.743 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000348272773 445334883 /nfs/dbraw/zinc/33/48/83/445334883.db2.gz BJRREBDBSDYVQN-MRXNPFEDSA-N 2 1 345.487 1.743 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)c2C1 ZINC000354700554 445344795 /nfs/dbraw/zinc/34/47/95/445344795.db2.gz DCWHIIFQOSYVIH-QGZVFWFLSA-N 2 1 344.459 1.609 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)c2C1 ZINC000354700554 445344797 /nfs/dbraw/zinc/34/47/97/445344797.db2.gz DCWHIIFQOSYVIH-QGZVFWFLSA-N 2 1 344.459 1.609 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000351865697 445347771 /nfs/dbraw/zinc/34/77/71/445347771.db2.gz OQDUJYZZTRICHQ-QPSCCSFWSA-N 2 1 349.475 1.939 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000351865697 445347773 /nfs/dbraw/zinc/34/77/73/445347773.db2.gz OQDUJYZZTRICHQ-QPSCCSFWSA-N 2 1 349.475 1.939 20 0 EDADMP CC1(C)C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1[C@H]1CCCO1 ZINC000351980460 445414873 /nfs/dbraw/zinc/41/48/73/445414873.db2.gz CGVLWBVRPBKLQO-AEFFLSMTSA-N 2 1 335.492 1.619 20 0 EDADMP CC1(C)C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1[C@H]1CCCO1 ZINC000351980460 445414877 /nfs/dbraw/zinc/41/48/77/445414877.db2.gz CGVLWBVRPBKLQO-AEFFLSMTSA-N 2 1 335.492 1.619 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000359902506 445480037 /nfs/dbraw/zinc/48/00/37/445480037.db2.gz AZORSDANCPRIMT-CVEARBPZSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000359902506 445480042 /nfs/dbraw/zinc/48/00/42/445480042.db2.gz AZORSDANCPRIMT-CVEARBPZSA-N 2 1 328.501 1.205 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)C1 ZINC000357207378 445481673 /nfs/dbraw/zinc/48/16/73/445481673.db2.gz YQXNRKDDDXTEEW-RTBURBONSA-N 2 1 345.487 1.481 20 0 EDADMP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355026873 445440028 /nfs/dbraw/zinc/44/00/28/445440028.db2.gz BERJDBDCIHJYAF-SJORKVTESA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H](C(=O)N1CCCCC1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355026873 445440031 /nfs/dbraw/zinc/44/00/31/445440031.db2.gz BERJDBDCIHJYAF-SJORKVTESA-N 2 1 336.524 1.488 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C[C@@H]1CC ZINC000362568711 445444434 /nfs/dbraw/zinc/44/44/34/445444434.db2.gz LJYCCUHMCZJDHI-CABCVRRESA-N 2 1 349.479 1.060 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C[C@@H]1CC ZINC000362568711 445444435 /nfs/dbraw/zinc/44/44/35/445444435.db2.gz LJYCCUHMCZJDHI-CABCVRRESA-N 2 1 349.479 1.060 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000359857846 445463070 /nfs/dbraw/zinc/46/30/70/445463070.db2.gz PIEHZQKXPZYGON-HUUCEWRRSA-N 2 1 336.480 1.561 20 0 EDADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(F)c([O-])c(F)c3)C2)CC1 ZINC000359864876 445466410 /nfs/dbraw/zinc/46/64/10/445466410.db2.gz DZJYTYOIQULPGV-GFCCVEGCSA-N 2 1 339.386 1.569 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(F)c([O-])c(F)c3)C2)CC1 ZINC000359864876 445466411 /nfs/dbraw/zinc/46/64/11/445466411.db2.gz DZJYTYOIQULPGV-GFCCVEGCSA-N 2 1 339.386 1.569 20 0 EDADMP COC(=O)[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1(C)C ZINC000359864545 445466491 /nfs/dbraw/zinc/46/64/91/445466491.db2.gz BSUXIWYIUPXCCI-OAHLLOKOSA-N 2 1 339.480 1.106 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N3C[C@@H](C)[C@@H]([NH+](C)C)C3)CC2)[nH+]c1 ZINC000362703854 445509345 /nfs/dbraw/zinc/50/93/45/445509345.db2.gz MUHCRJQKFAQEDH-WBVHZDCISA-N 2 1 345.491 1.950 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@@H](F)C[NH2+]3)CC2)oc1C ZINC000362725731 445520233 /nfs/dbraw/zinc/52/02/33/445520233.db2.gz SYXIZNMXCQTQFQ-HUUCEWRRSA-N 2 1 338.427 1.320 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000357279578 445522747 /nfs/dbraw/zinc/52/27/47/445522747.db2.gz YYZJBVSSPXSZER-NVXWUHKLSA-N 2 1 336.480 1.291 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H](N2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000359939836 445497949 /nfs/dbraw/zinc/49/79/49/445497949.db2.gz OMEZBZPXAFQKLB-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP CN(C[C@H](O)C[N@H+](C)C1CC1)C[C@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000352115985 445502784 /nfs/dbraw/zinc/50/27/84/445502784.db2.gz QTTMGLVHNUJODE-ZCNNSNEGSA-N 2 1 347.503 1.445 20 0 EDADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)C[C@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000352115985 445502788 /nfs/dbraw/zinc/50/27/88/445502788.db2.gz QTTMGLVHNUJODE-ZCNNSNEGSA-N 2 1 347.503 1.445 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000352115985 445502792 /nfs/dbraw/zinc/50/27/92/445502792.db2.gz QTTMGLVHNUJODE-ZCNNSNEGSA-N 2 1 347.503 1.445 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000352115985 445502795 /nfs/dbraw/zinc/50/27/95/445502795.db2.gz QTTMGLVHNUJODE-ZCNNSNEGSA-N 2 1 347.503 1.445 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362796172 445553813 /nfs/dbraw/zinc/55/38/13/445553813.db2.gz SVDMSRYGCIDWMU-OWCLPIDISA-N 2 1 333.480 1.800 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@]2(C)CCCC[NH2+]2)(N2CCCCC2)CC1 ZINC000357811050 445584385 /nfs/dbraw/zinc/58/43/85/445584385.db2.gz DESNGKDJKLTRHQ-SFHVURJKSA-N 2 1 336.524 1.585 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000360047794 445545118 /nfs/dbraw/zinc/54/51/18/445545118.db2.gz ZCJPVCAYHOTEIY-AWEZNQCLSA-N 2 1 343.493 1.677 20 0 EDADMP CC(C)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000360161017 445602301 /nfs/dbraw/zinc/60/23/01/445602301.db2.gz DVLGSTYLNADTBQ-QGZVFWFLSA-N 2 1 325.497 1.580 20 0 EDADMP C[NH+](C)C[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc(F)cc1 ZINC000360211924 445631087 /nfs/dbraw/zinc/63/10/87/445631087.db2.gz HCXJYCQCIOYSHU-JKSUJKDBSA-N 2 1 339.480 1.982 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000353505190 445633350 /nfs/dbraw/zinc/63/33/50/445633350.db2.gz GKIGHTCLEFOBHU-PBHICJAKSA-N 2 1 346.475 1.064 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000358531469 445637104 /nfs/dbraw/zinc/63/71/04/445637104.db2.gz SPJMXHYSOMXFEI-PVAVHDDUSA-N 2 1 333.480 1.666 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[C@H]([NH+]4CCCCC4)C3)cn2)CC1 ZINC000353416165 445594214 /nfs/dbraw/zinc/59/42/14/445594214.db2.gz LHOSWJHORVUODF-SFHVURJKSA-N 2 1 344.507 1.289 20 0 EDADMP Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000363008722 445647259 /nfs/dbraw/zinc/64/72/59/445647259.db2.gz GIIPNPFKFSTWAE-UHFFFAOYSA-N 2 1 330.476 1.916 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)F)CC1 ZINC000360237090 445647575 /nfs/dbraw/zinc/64/75/75/445647575.db2.gz FOGNTOCIUNZBGK-IRXDYDNUSA-N 2 1 342.430 1.924 20 0 EDADMP Cn1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c(C(F)F)n1 ZINC000353671908 445701230 /nfs/dbraw/zinc/70/12/30/445701230.db2.gz MJGPICPWGFBISE-UHFFFAOYSA-N 2 1 343.422 1.440 20 0 EDADMP C[C@@H]1CCCN(c2cc(N3CCC([N@@H+](C)CCO)CC3)ncn2)C1 ZINC000349870795 445705279 /nfs/dbraw/zinc/70/52/79/445705279.db2.gz WWOBVDKOHKISRN-OAHLLOKOSA-N 2 1 333.480 1.606 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)C(C)C ZINC000360430471 445707359 /nfs/dbraw/zinc/70/73/59/445707359.db2.gz NSWTZASKEFCLOA-UHFFFAOYSA-N 2 1 340.512 1.071 20 0 EDADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000353736540 445732087 /nfs/dbraw/zinc/73/20/87/445732087.db2.gz KSSCAPPWKWTJHO-HNNXBMFYSA-N 2 1 331.460 1.215 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccco1 ZINC000358710602 445734111 /nfs/dbraw/zinc/73/41/11/445734111.db2.gz SSQNDWBIVWIHJY-WMLDXEAASA-N 2 1 338.452 1.028 20 0 EDADMP C[C@H]1C[C@@H](CCNC(=O)C2([NH3+])CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000353752363 445738693 /nfs/dbraw/zinc/73/86/93/445738693.db2.gz GEQFBHPDVWLGLP-FUHWJXTLSA-N 2 1 345.487 1.911 20 0 EDADMP CC(C)C[N@H+]1CCCN(C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000363249907 445739977 /nfs/dbraw/zinc/73/99/77/445739977.db2.gz GKYPDYGNNMFOBK-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H](CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)[N@@H+](C)C1CC1 ZINC000363279051 445750261 /nfs/dbraw/zinc/75/02/61/445750261.db2.gz VJWRSHPKYVVYON-HNNXBMFYSA-N 2 1 333.480 1.582 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000350024463 445751285 /nfs/dbraw/zinc/75/12/85/445751285.db2.gz AKQGXZICVHUYLB-OAHLLOKOSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363472497 445817728 /nfs/dbraw/zinc/81/77/28/445817728.db2.gz QXHZEWBPMANVDL-QGZVFWFLSA-N 2 1 345.553 1.159 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000350370200 445819005 /nfs/dbraw/zinc/81/90/05/445819005.db2.gz UZIXHCHGYRUOGF-BRWVUGGUSA-N 2 1 341.496 1.055 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000350370200 445819007 /nfs/dbraw/zinc/81/90/07/445819007.db2.gz UZIXHCHGYRUOGF-BRWVUGGUSA-N 2 1 341.496 1.055 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCn3cccn3)CC2)C[C@H](C)O1 ZINC000358868573 445821355 /nfs/dbraw/zinc/82/13/55/445821355.db2.gz ZDLATOBJXPULRT-CALCHBBNSA-N 2 1 336.480 1.473 20 0 EDADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCn3cccn3)CC2)C[C@H](C)O1 ZINC000358868573 445821360 /nfs/dbraw/zinc/82/13/60/445821360.db2.gz ZDLATOBJXPULRT-CALCHBBNSA-N 2 1 336.480 1.473 20 0 EDADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000358819789 445791274 /nfs/dbraw/zinc/79/12/74/445791274.db2.gz XSOMQRHNLCRHMU-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000358819789 445791284 /nfs/dbraw/zinc/79/12/84/445791284.db2.gz XSOMQRHNLCRHMU-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000358819789 445791288 /nfs/dbraw/zinc/79/12/88/445791288.db2.gz XSOMQRHNLCRHMU-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000350198299 445791891 /nfs/dbraw/zinc/79/18/91/445791891.db2.gz AAVGEJVZNFRQQB-HNNXBMFYSA-N 2 1 339.505 1.797 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC000350198299 445791903 /nfs/dbraw/zinc/79/19/03/445791903.db2.gz AAVGEJVZNFRQQB-HNNXBMFYSA-N 2 1 339.505 1.797 20 0 EDADMP C[NH+](C)CC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000350225418 445797002 /nfs/dbraw/zinc/79/70/02/445797002.db2.gz YMSQOGKBGBMAOG-UHFFFAOYSA-N 3 1 332.496 1.002 20 0 EDADMP COc1c[nH+]ccc1N1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000361521203 445801196 /nfs/dbraw/zinc/80/11/96/445801196.db2.gz ZLURZDMSHZSZIO-UHFFFAOYSA-N 2 1 332.448 1.615 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000350255209 445801244 /nfs/dbraw/zinc/80/12/44/445801244.db2.gz QLVXZYDRNQRWGI-KRWDZBQOSA-N 2 1 325.497 1.868 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000350255209 445801247 /nfs/dbraw/zinc/80/12/47/445801247.db2.gz QLVXZYDRNQRWGI-KRWDZBQOSA-N 2 1 325.497 1.868 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000358859649 445815705 /nfs/dbraw/zinc/81/57/05/445815705.db2.gz SYJGFKXGNILTLP-IAGOWNOFSA-N 2 1 337.439 1.341 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000353985609 445840549 /nfs/dbraw/zinc/84/05/49/445840549.db2.gz DGKPNVQZVWKJEX-JJIJKTDDSA-N 2 1 336.524 1.388 20 0 EDADMP [NH3+]Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)ccn1 ZINC000361616811 445849087 /nfs/dbraw/zinc/84/90/87/445849087.db2.gz PXLPEHPFAPYCQK-UHFFFAOYSA-N 2 1 340.427 1.667 20 0 EDADMP c1coc([C@@H](CNc2cc[nH+]c(N3CCOCC3)n2)[NH+]2CCCC2)c1 ZINC000354079291 445890845 /nfs/dbraw/zinc/89/08/45/445890845.db2.gz FRHQQMJTJVEFPQ-OAHLLOKOSA-N 2 1 343.431 2.155 20 0 EDADMP COCC[C@@]1(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC[NH2+]C1 ZINC000361729829 445902387 /nfs/dbraw/zinc/90/23/87/445902387.db2.gz UZLXOUSKAANHDC-AEFFLSMTSA-N 2 1 325.497 1.631 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000351010618 445969175 /nfs/dbraw/zinc/96/91/75/445969175.db2.gz RGRZYRBLXHKXPL-JYJNAYRXSA-N 2 1 340.512 1.022 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000373011696 445974244 /nfs/dbraw/zinc/97/42/44/445974244.db2.gz GKVQLJYQRNTQDF-MRXNPFEDSA-N 2 1 336.480 1.979 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000373011696 445974249 /nfs/dbraw/zinc/97/42/49/445974249.db2.gz GKVQLJYQRNTQDF-MRXNPFEDSA-N 2 1 336.480 1.979 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH+](CC)CC)C1 ZINC000351028570 445975257 /nfs/dbraw/zinc/97/52/57/445975257.db2.gz WDTRMYDSKQRPLO-HOTGVXAUSA-N 2 1 340.512 1.023 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000359147708 445982079 /nfs/dbraw/zinc/98/20/79/445982079.db2.gz XJTOVVZVSXIMFO-MDZRGWNJSA-N 2 1 345.487 1.395 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCNC(=O)N(C)C)CC1 ZINC000354194728 445987738 /nfs/dbraw/zinc/98/77/38/445987738.db2.gz QMLIRWMWHRWAMM-UHFFFAOYSA-N 2 1 347.507 1.532 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000354153699 445951622 /nfs/dbraw/zinc/95/16/22/445951622.db2.gz MCNCBIMDRIXHSJ-MSOLQXFVSA-N 2 1 339.524 1.970 20 0 EDADMP C[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)C[C@@H]1CCn2ccnc2C1 ZINC000365997992 445951918 /nfs/dbraw/zinc/95/19/18/445951918.db2.gz DOPCXBZDNKXAPA-CYBMUJFWSA-N 2 1 333.436 1.098 20 0 EDADMP C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365997992 445951920 /nfs/dbraw/zinc/95/19/20/445951920.db2.gz DOPCXBZDNKXAPA-CYBMUJFWSA-N 2 1 333.436 1.098 20 0 EDADMP C[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365997992 445951923 /nfs/dbraw/zinc/95/19/23/445951923.db2.gz DOPCXBZDNKXAPA-CYBMUJFWSA-N 2 1 333.436 1.098 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@H](C)O1 ZINC000366136588 446036912 /nfs/dbraw/zinc/03/69/12/446036912.db2.gz UTGCAUXSOWRNDU-SOLBZPMBSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@H](C)O1 ZINC000366136588 446036915 /nfs/dbraw/zinc/03/69/15/446036915.db2.gz UTGCAUXSOWRNDU-SOLBZPMBSA-N 2 1 338.496 1.223 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@H+]([C@@H]3CC(=O)N(CC(F)(F)F)C3=O)C2)CC1 ZINC000365139316 446048855 /nfs/dbraw/zinc/04/88/55/446048855.db2.gz YTSXGOCNUSLDDZ-CHWSQXEVSA-N 2 1 347.381 1.340 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+]([C@@H]3CC(=O)N(CC(F)(F)F)C3=O)C2)CC1 ZINC000365139316 446048849 /nfs/dbraw/zinc/04/88/49/446048849.db2.gz YTSXGOCNUSLDDZ-CHWSQXEVSA-N 2 1 347.381 1.340 20 0 EDADMP C[C@@H]1CN(CCNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCO1 ZINC000583211657 326028287 /nfs/dbraw/zinc/02/82/87/326028287.db2.gz CQFGUIWEKBLOMQ-CJNGLKHVSA-N 2 1 339.867 1.780 20 0 EDADMP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000583748047 326132122 /nfs/dbraw/zinc/13/21/22/326132122.db2.gz OKEZNHCEYGPORS-QAPCUYQASA-N 2 1 332.444 1.703 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CCNS(=O)(=O)c1ccccc1)CC[NH2+]CC2 ZINC000583866264 326155203 /nfs/dbraw/zinc/15/52/03/326155203.db2.gz KZQBFLDVCZQQBY-OAHLLOKOSA-N 2 1 337.489 1.429 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C)(COC)C3)CC2)CC1 ZINC000583943446 326170820 /nfs/dbraw/zinc/17/08/20/326170820.db2.gz KINYNQRFXUUCLE-UHFFFAOYSA-N 2 1 337.508 1.678 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000584050809 326190635 /nfs/dbraw/zinc/19/06/35/326190635.db2.gz PWPHGSXRLUSLCK-LNLFQRSKSA-N 2 1 346.519 1.933 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4c(c3)NC(=O)CO4)C2)CC1 ZINC000351450023 446069028 /nfs/dbraw/zinc/06/90/28/446069028.db2.gz IFEJWXRQBCDCLZ-INIZCTEOSA-N 2 1 344.459 1.229 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000359249076 446083519 /nfs/dbraw/zinc/08/35/19/446083519.db2.gz HYJNNAZOFVEUGO-JKSUJKDBSA-N 2 1 340.512 1.166 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000359249076 446083525 /nfs/dbraw/zinc/08/35/25/446083525.db2.gz HYJNNAZOFVEUGO-JKSUJKDBSA-N 2 1 340.512 1.166 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000359249076 446083530 /nfs/dbraw/zinc/08/35/30/446083530.db2.gz HYJNNAZOFVEUGO-JKSUJKDBSA-N 2 1 340.512 1.166 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H](O)CN3CCCC3=O)C2)c1 ZINC000365223681 446086971 /nfs/dbraw/zinc/08/69/71/446086971.db2.gz KGXFCKGYJANSNV-HOTGVXAUSA-N 2 1 332.448 1.107 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H](O)CN3CCCC3=O)C2)c1 ZINC000365223681 446086975 /nfs/dbraw/zinc/08/69/75/446086975.db2.gz KGXFCKGYJANSNV-HOTGVXAUSA-N 2 1 332.448 1.107 20 0 EDADMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000351492470 446094525 /nfs/dbraw/zinc/09/45/25/446094525.db2.gz LKBZKCISJVSLPT-BHADISHBSA-N 2 1 330.432 1.641 20 0 EDADMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000351492470 446094529 /nfs/dbraw/zinc/09/45/29/446094529.db2.gz LKBZKCISJVSLPT-BHADISHBSA-N 2 1 330.432 1.641 20 0 EDADMP CCC[N@@H+](C)CC(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000359262958 446097742 /nfs/dbraw/zinc/09/77/42/446097742.db2.gz HNZLOOXWMUOEBM-UHFFFAOYSA-N 2 1 346.519 1.604 20 0 EDADMP CCC[NH+](C)CC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000359262958 446097748 /nfs/dbraw/zinc/09/77/48/446097748.db2.gz HNZLOOXWMUOEBM-UHFFFAOYSA-N 2 1 346.519 1.604 20 0 EDADMP CCC[NH+](C)CC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000359262958 446097754 /nfs/dbraw/zinc/09/77/54/446097754.db2.gz HNZLOOXWMUOEBM-UHFFFAOYSA-N 2 1 346.519 1.604 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000359288228 446123975 /nfs/dbraw/zinc/12/39/75/446123975.db2.gz KWWUAOPAGQYRML-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000359338137 446159091 /nfs/dbraw/zinc/15/90/91/446159091.db2.gz AHGANEXSPTYRBM-CQSZACIVSA-N 2 1 334.489 1.642 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000359338137 446159099 /nfs/dbraw/zinc/15/90/99/446159099.db2.gz AHGANEXSPTYRBM-CQSZACIVSA-N 2 1 334.489 1.642 20 0 EDADMP O=C(NCC[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359338137 446159103 /nfs/dbraw/zinc/15/91/03/446159103.db2.gz AHGANEXSPTYRBM-CQSZACIVSA-N 2 1 334.489 1.642 20 0 EDADMP O=C(NCC[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359338137 446159109 /nfs/dbraw/zinc/15/91/09/446159109.db2.gz AHGANEXSPTYRBM-CQSZACIVSA-N 2 1 334.489 1.642 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354379922 446163367 /nfs/dbraw/zinc/16/33/67/446163367.db2.gz DFTXVAQSRSRYOJ-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354379922 446163372 /nfs/dbraw/zinc/16/33/72/446163372.db2.gz DFTXVAQSRSRYOJ-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000354379922 446163377 /nfs/dbraw/zinc/16/33/77/446163377.db2.gz DFTXVAQSRSRYOJ-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000354379922 446163383 /nfs/dbraw/zinc/16/33/83/446163383.db2.gz DFTXVAQSRSRYOJ-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP COc1ccccc1C1CC(NC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000370168038 446187185 /nfs/dbraw/zinc/18/71/85/446187185.db2.gz YVMAYFNBOHYOTO-UHFFFAOYSA-N 2 1 346.475 1.777 20 0 EDADMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C1 ZINC000373381109 446191146 /nfs/dbraw/zinc/19/11/46/446191146.db2.gz ANYQQYACCKGUNQ-CVEARBPZSA-N 2 1 347.507 1.570 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C1 ZINC000373381109 446191154 /nfs/dbraw/zinc/19/11/54/446191154.db2.gz ANYQQYACCKGUNQ-CVEARBPZSA-N 2 1 347.507 1.570 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C1 ZINC000373381109 446191156 /nfs/dbraw/zinc/19/11/56/446191156.db2.gz ANYQQYACCKGUNQ-CVEARBPZSA-N 2 1 347.507 1.570 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C1 ZINC000373381109 446191162 /nfs/dbraw/zinc/19/11/62/446191162.db2.gz ANYQQYACCKGUNQ-CVEARBPZSA-N 2 1 347.507 1.570 20 0 EDADMP CCCN1CC[NH+](C2CCN(C(=O)CCCCCC[NH3+])CC2)CC1 ZINC000366320014 446148167 /nfs/dbraw/zinc/14/81/67/446148167.db2.gz DHFGZLHVIRHIHU-UHFFFAOYSA-N 2 1 338.540 1.914 20 0 EDADMP C[N@@H+](CCCOc1cccc(Cl)c1)CCC(=O)N1CC[NH2+]CC1 ZINC000351620355 446214736 /nfs/dbraw/zinc/21/47/36/446214736.db2.gz PEFCEAQOLKGMTG-UHFFFAOYSA-N 2 1 339.867 1.863 20 0 EDADMP CCS(=O)(=O)NCC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362107948 446218266 /nfs/dbraw/zinc/21/82/66/446218266.db2.gz ZDPQCQXDLFKBKO-CQSZACIVSA-N 2 1 329.510 1.122 20 0 EDADMP C[C@H](CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000370326895 446231427 /nfs/dbraw/zinc/23/14/27/446231427.db2.gz QWMFDIKPUSTUGU-ZACQAIPSSA-N 2 1 338.496 1.413 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)C1CCCC1 ZINC000365538974 446246580 /nfs/dbraw/zinc/24/65/80/446246580.db2.gz OFFPHSKXIIWPBT-RYQLBKOJSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](CCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)C1CCCC1 ZINC000365538974 446246581 /nfs/dbraw/zinc/24/65/81/446246581.db2.gz OFFPHSKXIIWPBT-RYQLBKOJSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](CCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)C1CCCC1 ZINC000365538974 446246587 /nfs/dbraw/zinc/24/65/87/446246587.db2.gz OFFPHSKXIIWPBT-RYQLBKOJSA-N 2 1 334.508 1.987 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@H]1CCC[NH+](Cc2cccnc2)C1)C1CC1 ZINC000366654430 446295688 /nfs/dbraw/zinc/29/56/88/446295688.db2.gz OPNUQTYEJWZYCE-QGZVFWFLSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH+](CC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)C1CC1 ZINC000366654430 446295693 /nfs/dbraw/zinc/29/56/93/446295693.db2.gz OPNUQTYEJWZYCE-QGZVFWFLSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH+](CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CC1 ZINC000366654430 446295701 /nfs/dbraw/zinc/29/57/01/446295701.db2.gz OPNUQTYEJWZYCE-QGZVFWFLSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000362219903 446269762 /nfs/dbraw/zinc/26/97/62/446269762.db2.gz LWKBHYKKTHEOPW-KURKYZTESA-N 2 1 325.497 1.188 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)C1CC1 ZINC000366716744 446320473 /nfs/dbraw/zinc/32/04/73/446320473.db2.gz GBSDUXNFLLGFAA-KSSFIOAISA-N 2 1 333.480 1.404 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000370577468 446339553 /nfs/dbraw/zinc/33/95/53/446339553.db2.gz HCYPFTKCVSZDPF-OWCLPIDISA-N 2 1 335.448 1.488 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000417332381 446345150 /nfs/dbraw/zinc/34/51/50/446345150.db2.gz QYSPRWNSQAQSPT-LVQVYYBASA-N 2 1 326.485 1.255 20 0 EDADMP CCC[NH2+]CCNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417509279 446357418 /nfs/dbraw/zinc/35/74/18/446357418.db2.gz VEAAQXKHKVWTOL-GOSISDBHSA-N 2 1 332.492 1.850 20 0 EDADMP C[N@@H+](CCNC(=O)NCCC[NH2+]Cc1cccnc1)C1CCCC1 ZINC000417511164 446357893 /nfs/dbraw/zinc/35/78/93/446357893.db2.gz VLFORABHNAZMSU-UHFFFAOYSA-N 2 1 333.480 1.735 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417547757 446364130 /nfs/dbraw/zinc/36/41/30/446364130.db2.gz UTTHYRVEQKCSQK-MRXNPFEDSA-N 2 1 339.528 1.234 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)[C@H]1CC[NH2+]C1 ZINC000417759238 446371564 /nfs/dbraw/zinc/37/15/64/446371564.db2.gz WBPXORNFHOCVAI-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)N(CC[NH3+])CCO)[C@@H]1c1ccc(Cl)cc1 ZINC000417932251 446389945 /nfs/dbraw/zinc/38/99/45/446389945.db2.gz MCAAPWILUBCNQL-CABCVRRESA-N 2 1 340.855 1.048 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)N(CC[NH3+])CCO)[C@@H]1c1ccc(Cl)cc1 ZINC000417932251 446389952 /nfs/dbraw/zinc/38/99/52/446389952.db2.gz MCAAPWILUBCNQL-CABCVRRESA-N 2 1 340.855 1.048 20 0 EDADMP C[NH2+]CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417951418 446397178 /nfs/dbraw/zinc/39/71/78/446397178.db2.gz NEEAFIJWVFRGFY-IUODEOHRSA-N 2 1 342.846 1.991 20 0 EDADMP COc1ccc([C@H](N[C@@H]2CCC[N@@H+](CCCO)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423147753 446440414 /nfs/dbraw/zinc/44/04/14/446440414.db2.gz SSBXDLGRBJOOSD-RLLQIKCJSA-N 2 1 347.503 1.925 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418100232 446440765 /nfs/dbraw/zinc/44/07/65/446440765.db2.gz DFMXTPDFVSYRNT-OTWHNJEPSA-N 2 1 342.487 1.759 20 0 EDADMP O=C([C@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1)N1CC[NH2+]CC1 ZINC000420281261 446448746 /nfs/dbraw/zinc/44/87/46/446448746.db2.gz ABYXQOHIQHSNDJ-CABCVRRESA-N 2 1 329.435 1.956 20 0 EDADMP O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418004009 446412386 /nfs/dbraw/zinc/41/23/86/446412386.db2.gz ZIATVGRIEKRCRX-QAPCUYQASA-N 2 1 346.475 1.052 20 0 EDADMP O=C(NCC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CSC[NH2+]1 ZINC000370763640 446423699 /nfs/dbraw/zinc/42/36/99/446423699.db2.gz NGAJRRVLPQQMOF-QGZVFWFLSA-N 2 1 333.501 1.720 20 0 EDADMP CCN(C)C(=O)CC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000420301308 446463930 /nfs/dbraw/zinc/46/39/30/446463930.db2.gz AOMIDGYGBXVOFB-AWEZNQCLSA-N 2 1 336.505 1.956 20 0 EDADMP CCN(C)C(=O)CC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000420301308 446463934 /nfs/dbraw/zinc/46/39/34/446463934.db2.gz AOMIDGYGBXVOFB-AWEZNQCLSA-N 2 1 336.505 1.956 20 0 EDADMP COC(=O)C1CCN(C(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)CC1 ZINC000420306231 446469433 /nfs/dbraw/zinc/46/94/33/446469433.db2.gz ADCULCVYSKESAN-UHFFFAOYSA-N 2 1 339.480 1.239 20 0 EDADMP CC[C@@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000370844662 446476987 /nfs/dbraw/zinc/47/69/87/446476987.db2.gz DJENMTWXINBHLV-VQIMIIECSA-N 2 1 344.459 1.465 20 0 EDADMP CC[C@@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000370844662 446476993 /nfs/dbraw/zinc/47/69/93/446476993.db2.gz DJENMTWXINBHLV-VQIMIIECSA-N 2 1 344.459 1.465 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C[C@@H](C)O1 ZINC000423305541 446481872 /nfs/dbraw/zinc/48/18/72/446481872.db2.gz RDDXJASRJPGKSA-RBSFLKMASA-N 2 1 325.497 1.769 20 0 EDADMP C[C@@H](C[NH3+])C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423307151 446482018 /nfs/dbraw/zinc/48/20/18/446482018.db2.gz MOQWONKSLITBIY-CABZTGNLSA-N 2 1 347.278 1.852 20 0 EDADMP [NH3+]CCNC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000418292625 446487498 /nfs/dbraw/zinc/48/74/98/446487498.db2.gz CYUWEKRYRANDQZ-UHFFFAOYSA-N 2 1 344.381 1.881 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3cn(CCCC[NH3+])nn3)c2C1 ZINC000423372130 446504620 /nfs/dbraw/zinc/50/46/20/446504620.db2.gz GUKOEABXRFWAPN-UHFFFAOYSA-N 2 1 342.447 1.995 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)c3cn(CCCC[NH3+])nn3)c2C1 ZINC000423372130 446504629 /nfs/dbraw/zinc/50/46/29/446504629.db2.gz GUKOEABXRFWAPN-UHFFFAOYSA-N 2 1 342.447 1.995 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341451 446513337 /nfs/dbraw/zinc/51/33/37/446513337.db2.gz OOFAKUGFVCFRFT-ROUUACIJSA-N 2 1 345.487 1.675 20 0 EDADMP C[C@H](CNC(=O)COC1CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000423340809 446496773 /nfs/dbraw/zinc/49/67/73/446496773.db2.gz XKZIVAIIYATPCT-CYBMUJFWSA-N 2 1 337.489 1.380 20 0 EDADMP C[C@H](CNC(=O)COC1CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000423340809 446496780 /nfs/dbraw/zinc/49/67/80/446496780.db2.gz XKZIVAIIYATPCT-CYBMUJFWSA-N 2 1 337.489 1.380 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329378 446499212 /nfs/dbraw/zinc/49/92/12/446499212.db2.gz GNPVBBJYQMFMLO-SOUVJXGZSA-N 2 1 345.443 1.716 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cn1 ZINC000418490988 446564083 /nfs/dbraw/zinc/56/40/83/446564083.db2.gz RFHLWWXDPLMFGZ-QGZVFWFLSA-N 2 1 348.495 1.248 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cn1 ZINC000418490988 446564089 /nfs/dbraw/zinc/56/40/89/446564089.db2.gz RFHLWWXDPLMFGZ-QGZVFWFLSA-N 2 1 348.495 1.248 20 0 EDADMP Cc1ccc2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc(=O)n2c1 ZINC000420390130 446565837 /nfs/dbraw/zinc/56/58/37/446565837.db2.gz HVFJMVCSBOZQPJ-DOTOQJQBSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1ccc2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc(=O)n2c1 ZINC000420390130 446565839 /nfs/dbraw/zinc/56/58/39/446565839.db2.gz HVFJMVCSBOZQPJ-DOTOQJQBSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349099 446525359 /nfs/dbraw/zinc/52/53/59/446525359.db2.gz NSJPYDXCZNRPDA-RCCFBDPRSA-N 2 1 344.503 1.540 20 0 EDADMP Fc1cccc(F)c1-n1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000420349735 446528603 /nfs/dbraw/zinc/52/86/03/446528603.db2.gz QHKDOFHAXOYHSA-HNNXBMFYSA-N 2 1 347.413 1.630 20 0 EDADMP Fc1cccc(F)c1-n1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000420349735 446528610 /nfs/dbraw/zinc/52/86/10/446528610.db2.gz QHKDOFHAXOYHSA-HNNXBMFYSA-N 2 1 347.413 1.630 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C[NH3+])C(C)C)C2)cc(OC)c1 ZINC000433134653 446533289 /nfs/dbraw/zinc/53/32/89/446533289.db2.gz RQPROPNDBDJUEB-YJBOKZPZSA-N 2 1 349.475 1.625 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C[NH3+])C(C)C)C2)cc(OC)c1 ZINC000433134653 446533292 /nfs/dbraw/zinc/53/32/92/446533292.db2.gz RQPROPNDBDJUEB-YJBOKZPZSA-N 2 1 349.475 1.625 20 0 EDADMP COc1ccc(CN(C)C(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000420355963 446534902 /nfs/dbraw/zinc/53/49/02/446534902.db2.gz FVPZKCABPIUHGY-KRWDZBQOSA-N 2 1 349.475 1.640 20 0 EDADMP COC[C@@]1(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CC[NH2+]C1 ZINC000423435372 446536476 /nfs/dbraw/zinc/53/64/76/446536476.db2.gz SNFLOGWAPJOPNN-GOSISDBHSA-N 2 1 332.448 1.101 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H]1CC ZINC000418416482 446537244 /nfs/dbraw/zinc/53/72/44/446537244.db2.gz UEWLCTJUKGBBMV-BRWVUGGUSA-N 2 1 340.512 1.646 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000418420277 446538262 /nfs/dbraw/zinc/53/82/62/446538262.db2.gz YZOWMLPTYAVLNX-OTBWCIGPSA-N 2 1 337.512 1.020 20 0 EDADMP OC[C@@H]1CCC[N@@H+]1CCCCN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453108494 446545393 /nfs/dbraw/zinc/54/53/93/446545393.db2.gz KZDLRZBOLBYJEX-WMZOPIPTSA-N 2 1 347.438 1.860 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCCN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453108494 446545403 /nfs/dbraw/zinc/54/54/03/446545403.db2.gz KZDLRZBOLBYJEX-WMZOPIPTSA-N 2 1 347.438 1.860 20 0 EDADMP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccncn1 ZINC000453176570 446549400 /nfs/dbraw/zinc/54/94/00/446549400.db2.gz FOPOMXPVERKGKD-YJBOKZPZSA-N 2 1 341.459 1.416 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC000418463099 446553317 /nfs/dbraw/zinc/55/33/17/446553317.db2.gz KXBXFGRSPIKVOF-JKSUJKDBSA-N 2 1 328.501 1.646 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420397212 446572112 /nfs/dbraw/zinc/57/21/12/446572112.db2.gz FGVJIHWHCQJNMA-QZTJIDSGSA-N 2 1 328.460 1.449 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000418520812 446578105 /nfs/dbraw/zinc/57/81/05/446578105.db2.gz HVSBLICRCGWMSG-LBPRGKRZSA-N 2 1 340.390 1.020 20 0 EDADMP C[C@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418529364 446581529 /nfs/dbraw/zinc/58/15/29/446581529.db2.gz TXLSHLNHTNROOI-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418698544 446652980 /nfs/dbraw/zinc/65/29/80/446652980.db2.gz NBWUTFPIFHQPOU-ZOBUZTSGSA-N 2 1 333.480 1.813 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000423719462 446658172 /nfs/dbraw/zinc/65/81/72/446658172.db2.gz CDYSJFMKHZPAGC-INIZCTEOSA-N 2 1 346.475 1.273 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000423719463 446658403 /nfs/dbraw/zinc/65/84/03/446658403.db2.gz CDYSJFMKHZPAGC-MRXNPFEDSA-N 2 1 346.475 1.273 20 0 EDADMP CC1(C[NH+]2CCOCC2)CC[NH+](CC(=O)NCc2ccco2)CC1 ZINC000371091586 446622657 /nfs/dbraw/zinc/62/26/57/446622657.db2.gz ZZXRNCMDPMQIJZ-UHFFFAOYSA-N 2 1 335.448 1.330 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[NH2+]C ZINC000418632677 446623472 /nfs/dbraw/zinc/62/34/72/446623472.db2.gz WCWJKDKHXYFERJ-WBVHZDCISA-N 2 1 333.480 1.685 20 0 EDADMP Cc1cnc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000371094356 446624574 /nfs/dbraw/zinc/62/45/74/446624574.db2.gz PMFAJQCDWBZREZ-UHFFFAOYSA-N 2 1 345.491 1.711 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423672013 446633666 /nfs/dbraw/zinc/63/36/66/446633666.db2.gz NQJFLCRZPPLKBC-VYDXJSESSA-N 2 1 346.475 1.190 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)cn1 ZINC000423763414 446692463 /nfs/dbraw/zinc/69/24/63/446692463.db2.gz UOKLHDNZYXESET-GOSISDBHSA-N 2 1 341.459 1.024 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)cn1 ZINC000423763414 446692470 /nfs/dbraw/zinc/69/24/70/446692470.db2.gz UOKLHDNZYXESET-GOSISDBHSA-N 2 1 341.459 1.024 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)[C@@H]3C[NH2+]CCO3)CC[N@H+]2C2CC2)c1 ZINC000423833975 446723057 /nfs/dbraw/zinc/72/30/57/446723057.db2.gz TXWIBUVWWIHMOZ-SQNIBIBYSA-N 2 1 345.443 1.078 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423844496 446727632 /nfs/dbraw/zinc/72/76/32/446727632.db2.gz NHOSVRWMDQUXOS-HNNXBMFYSA-N 2 1 344.463 1.267 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423844412 446727750 /nfs/dbraw/zinc/72/77/50/446727750.db2.gz JDXYUMLTPZOEAV-SFHVURJKSA-N 2 1 345.487 1.865 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)C[C@H]3CCCC[C@@H]3[NH3+])CC2)cn1 ZINC000423749893 446679598 /nfs/dbraw/zinc/67/95/98/446679598.db2.gz CTNNPSFJOLDEGW-MSOLQXFVSA-N 2 1 347.507 1.845 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)C[C@H]3CCCC[C@@H]3[NH3+])CC2)cn1 ZINC000423749893 446679604 /nfs/dbraw/zinc/67/96/04/446679604.db2.gz CTNNPSFJOLDEGW-MSOLQXFVSA-N 2 1 347.507 1.845 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000418765975 446684142 /nfs/dbraw/zinc/68/41/42/446684142.db2.gz KHAFIUMRXOAEAZ-ZACQAIPSSA-N 2 1 338.496 1.271 20 0 EDADMP COC(=O)c1cc(CNCc2ccc(-n3ccnc3)nc2)n(C)c1C ZINC000368265085 446746896 /nfs/dbraw/zinc/74/68/96/446746896.db2.gz QMZWKMKRPWFAAO-UHFFFAOYSA-N 2 1 339.399 1.991 20 0 EDADMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423896079 446750113 /nfs/dbraw/zinc/75/01/13/446750113.db2.gz GFGWMJOZBJKTCX-MKXGPGLRSA-N 2 1 343.471 1.222 20 0 EDADMP CC(C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[C@H](C)[NH3+] ZINC000423930678 446782189 /nfs/dbraw/zinc/78/21/89/446782189.db2.gz LGRBZXBVHRCMCR-UOVPBQLFSA-N 2 1 349.523 1.881 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423936235 446787140 /nfs/dbraw/zinc/78/71/40/446787140.db2.gz BXKZVHQSTNUFMZ-FSDCSDTHSA-N 2 1 325.497 1.754 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423936235 446787147 /nfs/dbraw/zinc/78/71/47/446787147.db2.gz BXKZVHQSTNUFMZ-FSDCSDTHSA-N 2 1 325.497 1.754 20 0 EDADMP C[NH+]1CCC(CC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000376829936 446741941 /nfs/dbraw/zinc/74/19/41/446741941.db2.gz AVUJOXGSKFKZJJ-SFHVURJKSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000418941481 446814894 /nfs/dbraw/zinc/81/48/94/446814894.db2.gz IDVVTZOFEPOPRT-OIISXLGYSA-N 2 1 346.475 1.009 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000368401950 446839746 /nfs/dbraw/zinc/83/97/46/446839746.db2.gz HQBURXCSHFZESM-HUUCEWRRSA-N 2 1 349.523 1.916 20 0 EDADMP NC(=O)CC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420899554 446876578 /nfs/dbraw/zinc/87/65/78/446876578.db2.gz FZYCPBLYLRLQEU-UHFFFAOYSA-N 2 1 331.460 1.606 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])CC2)[nH+]c1 ZINC000424457841 446876655 /nfs/dbraw/zinc/87/66/55/446876655.db2.gz AXROHPUUEOWDFO-HZPDHXFCSA-N 2 1 331.464 1.928 20 0 EDADMP NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420919477 446888477 /nfs/dbraw/zinc/88/84/77/446888477.db2.gz ZIBCZZIIIVAGHO-GOSISDBHSA-N 2 1 331.460 1.606 20 0 EDADMP NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420919477 446888485 /nfs/dbraw/zinc/88/84/85/446888485.db2.gz ZIBCZZIIIVAGHO-GOSISDBHSA-N 2 1 331.460 1.606 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCNS(C)(=O)=O)cc1F ZINC000371547016 446925597 /nfs/dbraw/zinc/92/55/97/446925597.db2.gz QGFFHGTUEUBXOB-LLVKDONJSA-N 2 1 340.424 1.520 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000454539991 446906771 /nfs/dbraw/zinc/90/67/71/446906771.db2.gz JKJXCMLRZYUUQW-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000419115240 446933665 /nfs/dbraw/zinc/93/36/65/446933665.db2.gz SSYCKMYYBHOXEK-WBVHZDCISA-N 2 1 348.491 1.113 20 0 EDADMP CCc1nc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc(C)[nH+]1 ZINC000368544838 446934819 /nfs/dbraw/zinc/93/48/19/446934819.db2.gz KYFYZRMPNWJSFO-IRXDYDNUSA-N 2 1 326.444 2.395 20 0 EDADMP CCc1nc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc(C)[nH+]1 ZINC000368544838 446934824 /nfs/dbraw/zinc/93/48/24/446934824.db2.gz KYFYZRMPNWJSFO-IRXDYDNUSA-N 2 1 326.444 2.395 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000442758449 446953771 /nfs/dbraw/zinc/95/37/71/446953771.db2.gz IPFCZJUHWSIQOD-IHRRRGAJSA-N 2 1 335.448 1.550 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000442758449 446953777 /nfs/dbraw/zinc/95/37/77/446953777.db2.gz IPFCZJUHWSIQOD-IHRRRGAJSA-N 2 1 335.448 1.550 20 0 EDADMP COc1ccc(CN(C(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)C2CC2)cc1 ZINC000442758742 446955790 /nfs/dbraw/zinc/95/57/90/446955790.db2.gz JFEODHAVOTYXSG-HOCLYGCPSA-N 2 1 331.460 1.855 20 0 EDADMP COc1ccc(CN(C(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)C2CC2)cc1 ZINC000442758742 446955797 /nfs/dbraw/zinc/95/57/97/446955797.db2.gz JFEODHAVOTYXSG-HOCLYGCPSA-N 2 1 331.460 1.855 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419147671 446963392 /nfs/dbraw/zinc/96/33/92/446963392.db2.gz CEWYGQPFSDKSMG-ARFHVFGLSA-N 2 1 338.496 1.001 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419216782 447014229 /nfs/dbraw/zinc/01/42/29/447014229.db2.gz PVIGTYHLGFTOCW-KRWDZBQOSA-N 2 1 346.475 1.011 20 0 EDADMP C[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000419222461 447017419 /nfs/dbraw/zinc/01/74/19/447017419.db2.gz XCWUDHVJLZWRHO-HNNXBMFYSA-N 2 1 346.475 1.013 20 0 EDADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419161429 446977522 /nfs/dbraw/zinc/97/75/22/446977522.db2.gz ISYPTQAQSZKMGR-MRXNPFEDSA-N 2 1 348.491 1.113 20 0 EDADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C2)CC1 ZINC000377196533 446985617 /nfs/dbraw/zinc/98/56/17/446985617.db2.gz JIRLUNCZXANDPZ-ONIAQPFYSA-N 2 1 334.508 1.192 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C2)CC1 ZINC000377196533 446985620 /nfs/dbraw/zinc/98/56/20/446985620.db2.gz JIRLUNCZXANDPZ-ONIAQPFYSA-N 2 1 334.508 1.192 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000442880343 446988785 /nfs/dbraw/zinc/98/87/85/446988785.db2.gz YKHXRFANNYGJBS-YESZJQIVSA-N 2 1 339.524 1.970 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](CC(C)(C)O)CC1 ZINC000368703612 447052479 /nfs/dbraw/zinc/05/24/79/447052479.db2.gz IWHQMPOIWJTPIR-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000368703612 447052486 /nfs/dbraw/zinc/05/24/86/447052486.db2.gz IWHQMPOIWJTPIR-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000368703612 447052492 /nfs/dbraw/zinc/05/24/92/447052492.db2.gz IWHQMPOIWJTPIR-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP CC[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1)OC ZINC000419284343 447057134 /nfs/dbraw/zinc/05/71/34/447057134.db2.gz MEEPFIRGYHGYPH-MSOLQXFVSA-N 2 1 325.497 1.678 20 0 EDADMP CC[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1)OC ZINC000419284343 447057138 /nfs/dbraw/zinc/05/71/38/447057138.db2.gz MEEPFIRGYHGYPH-MSOLQXFVSA-N 2 1 325.497 1.678 20 0 EDADMP CC[C@@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC000419284343 447057142 /nfs/dbraw/zinc/05/71/42/447057142.db2.gz MEEPFIRGYHGYPH-MSOLQXFVSA-N 2 1 325.497 1.678 20 0 EDADMP CC[C@@H](C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC000419284343 447057148 /nfs/dbraw/zinc/05/71/48/447057148.db2.gz MEEPFIRGYHGYPH-MSOLQXFVSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000372464512 447066965 /nfs/dbraw/zinc/06/69/65/447066965.db2.gz QOEXJELXTYZTPB-GMKVZWAMSA-N 2 1 337.508 1.756 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000413281195 447112505 /nfs/dbraw/zinc/11/25/05/447112505.db2.gz NTRHXZARSGJYCK-INIZCTEOSA-N 2 1 331.464 1.752 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000413281195 447112510 /nfs/dbraw/zinc/11/25/10/447112510.db2.gz NTRHXZARSGJYCK-INIZCTEOSA-N 2 1 331.464 1.752 20 0 EDADMP CC(C)N1CC[C@@H](N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)C1=O ZINC000375822545 447080374 /nfs/dbraw/zinc/08/03/74/447080374.db2.gz HDODVLNGVCUDPM-CGTJXYLNSA-N 2 1 347.507 1.744 20 0 EDADMP CC(C)N1CC[C@@H]([N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)C1=O ZINC000375822545 447080379 /nfs/dbraw/zinc/08/03/79/447080379.db2.gz HDODVLNGVCUDPM-CGTJXYLNSA-N 2 1 347.507 1.744 20 0 EDADMP CC(C)N1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)C1=O ZINC000375822545 447080383 /nfs/dbraw/zinc/08/03/83/447080383.db2.gz HDODVLNGVCUDPM-CGTJXYLNSA-N 2 1 347.507 1.744 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000425462314 447175220 /nfs/dbraw/zinc/17/52/20/447175220.db2.gz DXUIMDMPKIDSCB-GJZGRUSLSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000375962742 447176460 /nfs/dbraw/zinc/17/64/60/447176460.db2.gz OTZJFNFOBVQZNJ-LJQANCHMSA-N 2 1 339.524 1.672 20 0 EDADMP C[N@@H+](C[C@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425507181 447201572 /nfs/dbraw/zinc/20/15/72/447201572.db2.gz GQCQOZLQBKNPCP-YSIASYRMSA-N 2 1 329.488 1.648 20 0 EDADMP C[NH+](C[C@H](O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425507181 447201576 /nfs/dbraw/zinc/20/15/76/447201576.db2.gz GQCQOZLQBKNPCP-YSIASYRMSA-N 2 1 329.488 1.648 20 0 EDADMP C[NH+](C[C@H](O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425507181 447201578 /nfs/dbraw/zinc/20/15/78/447201578.db2.gz GQCQOZLQBKNPCP-YSIASYRMSA-N 2 1 329.488 1.648 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000419428703 447169114 /nfs/dbraw/zinc/16/91/14/447169114.db2.gz RDZMHAXAENYFJO-ZACQAIPSSA-N 2 1 340.512 1.205 20 0 EDADMP O[C@H](CC1CCCC1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000368989013 447250367 /nfs/dbraw/zinc/25/03/67/447250367.db2.gz FJHQCXOSYHSTDN-QGZVFWFLSA-N 2 1 326.481 1.087 20 0 EDADMP CN1CC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccc(F)cc1 ZINC000377684027 447293473 /nfs/dbraw/zinc/29/34/73/447293473.db2.gz VTNRRNQTEIXGOS-HKUYNNGSSA-N 2 1 348.466 1.325 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379647497 447453948 /nfs/dbraw/zinc/45/39/48/447453948.db2.gz KIGSTHPHEBPZCS-HOJAQTOUSA-N 2 1 347.503 1.322 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000379647497 447453952 /nfs/dbraw/zinc/45/39/52/447453952.db2.gz KIGSTHPHEBPZCS-HOJAQTOUSA-N 2 1 347.503 1.322 20 0 EDADMP COCCOC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000450323554 447454398 /nfs/dbraw/zinc/45/43/98/447454398.db2.gz ISIXKCCSNZDCTP-ZWKOTPCHSA-N 2 1 328.497 1.454 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000458719841 447461131 /nfs/dbraw/zinc/46/11/31/447461131.db2.gz DRBRHWAUXNXVOL-MRXNPFEDSA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000458719841 447461138 /nfs/dbraw/zinc/46/11/38/447461138.db2.gz DRBRHWAUXNXVOL-MRXNPFEDSA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000458719841 447461146 /nfs/dbraw/zinc/46/11/46/447461146.db2.gz DRBRHWAUXNXVOL-MRXNPFEDSA-N 2 1 339.528 1.137 20 0 EDADMP COC1(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000388451760 447479146 /nfs/dbraw/zinc/47/91/46/447479146.db2.gz GHVCUICHEKSXEH-SFHVURJKSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495371740 447496113 /nfs/dbraw/zinc/49/61/13/447496113.db2.gz JLNPXPBSNULKBH-KBXCAEBGSA-N 2 1 341.496 1.678 20 0 EDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495371740 447496116 /nfs/dbraw/zinc/49/61/16/447496116.db2.gz JLNPXPBSNULKBH-KBXCAEBGSA-N 2 1 341.496 1.678 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390879763 447504831 /nfs/dbraw/zinc/50/48/31/447504831.db2.gz USYMPXNGLKOTCK-NJAFHUGGSA-N 2 1 333.476 1.767 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)ccc1Cl ZINC000415540947 447505573 /nfs/dbraw/zinc/50/55/73/447505573.db2.gz ZKSBUZGEUJYGSX-AWEZNQCLSA-N 2 1 338.839 1.194 20 0 EDADMP C[C@H](c1ccccc1)[C@@H](O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000450503481 447509004 /nfs/dbraw/zinc/50/90/04/447509004.db2.gz RSIWORFEMDUDLU-NEWSRXKRSA-N 2 1 345.487 1.389 20 0 EDADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000450503481 447509008 /nfs/dbraw/zinc/50/90/08/447509008.db2.gz RSIWORFEMDUDLU-NEWSRXKRSA-N 2 1 345.487 1.389 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000427305193 447578492 /nfs/dbraw/zinc/57/84/92/447578492.db2.gz RBZHNJPARCEPKS-HOCLYGCPSA-N 2 1 344.459 1.322 20 0 EDADMP CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000394395376 447536559 /nfs/dbraw/zinc/53/65/59/447536559.db2.gz AHTOAOLMZSKXMM-OAHLLOKOSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](CO)[N@H+]1CCCN(C(=O)CC[NH+]2CCc3ccccc3C2)CC1 ZINC000416212573 447540725 /nfs/dbraw/zinc/54/07/25/447540725.db2.gz DHQIJPPVJQFOGN-QGZVFWFLSA-N 2 1 345.487 1.350 20 0 EDADMP C[C@H](CO)[NH+]1CCCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416212573 447540733 /nfs/dbraw/zinc/54/07/33/447540733.db2.gz DHQIJPPVJQFOGN-QGZVFWFLSA-N 2 1 345.487 1.350 20 0 EDADMP C[C@H](CO)[NH+]1CCCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000416212573 447540740 /nfs/dbraw/zinc/54/07/40/447540740.db2.gz DHQIJPPVJQFOGN-QGZVFWFLSA-N 2 1 345.487 1.350 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000398192200 447555628 /nfs/dbraw/zinc/55/56/28/447555628.db2.gz ZULCNDDGHVFCLA-NVXWUHKLSA-N 2 1 331.460 1.392 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000495911081 447638070 /nfs/dbraw/zinc/63/80/70/447638070.db2.gz NONMASPRMHSMJT-ZBFHGGJFSA-N 2 1 343.512 1.924 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000495911081 447638076 /nfs/dbraw/zinc/63/80/76/447638076.db2.gz NONMASPRMHSMJT-ZBFHGGJFSA-N 2 1 343.512 1.924 20 0 EDADMP CCO[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)C1 ZINC000459153679 447597834 /nfs/dbraw/zinc/59/78/34/447597834.db2.gz JIROHQXBYAWRCK-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000457567876 447599718 /nfs/dbraw/zinc/59/97/18/447599718.db2.gz FIFGEAJIHYDWHO-BRWVUGGUSA-N 2 1 340.512 1.610 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000459285687 447629669 /nfs/dbraw/zinc/62/96/69/447629669.db2.gz FFIRNTLIEVYVEY-QGZVFWFLSA-N 2 1 341.544 1.243 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459285687 447629671 /nfs/dbraw/zinc/62/96/71/447629671.db2.gz FFIRNTLIEVYVEY-QGZVFWFLSA-N 2 1 341.544 1.243 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459285687 447629675 /nfs/dbraw/zinc/62/96/75/447629675.db2.gz FFIRNTLIEVYVEY-QGZVFWFLSA-N 2 1 341.544 1.243 20 0 EDADMP CN(CCCN(C)C(=O)NCC[C@H]1CCC[N@H+](C)C1)CC[NH+](C)C ZINC000459285687 447629678 /nfs/dbraw/zinc/62/96/78/447629678.db2.gz FFIRNTLIEVYVEY-QGZVFWFLSA-N 2 1 341.544 1.243 20 0 EDADMP CN(CCCN(C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)CC[NH+](C)C ZINC000459285687 447629679 /nfs/dbraw/zinc/62/96/79/447629679.db2.gz FFIRNTLIEVYVEY-QGZVFWFLSA-N 2 1 341.544 1.243 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000408126975 447631484 /nfs/dbraw/zinc/63/14/84/447631484.db2.gz UBOXQOYCWBIVCC-HOCLYGCPSA-N 2 1 331.526 1.366 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000408126975 447631489 /nfs/dbraw/zinc/63/14/89/447631489.db2.gz UBOXQOYCWBIVCC-HOCLYGCPSA-N 2 1 331.526 1.366 20 0 EDADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000416838085 447694909 /nfs/dbraw/zinc/69/49/09/447694909.db2.gz ISNBHKKMNAMUJZ-KBAYOESNSA-N 2 1 330.476 1.887 20 0 EDADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)NC1CC[NH+](CC2CC2)CC1 ZINC000457870339 447655717 /nfs/dbraw/zinc/65/57/17/447655717.db2.gz ZGRNRVCZNBYCRW-QGZVFWFLSA-N 2 1 338.496 1.007 20 0 EDADMP Cc1ccc2nc(CNC(=O)N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)cn2c1 ZINC000457926586 447674032 /nfs/dbraw/zinc/67/40/32/447674032.db2.gz LWURTEVHICQJOB-GASCZTMLSA-N 2 1 345.447 1.239 20 0 EDADMP Cc1ccc2nc(CNC(=O)N3C[C@@H](C)N(CCO)[C@@H](C)C3)cn2c1 ZINC000457926586 447674041 /nfs/dbraw/zinc/67/40/41/447674041.db2.gz LWURTEVHICQJOB-GASCZTMLSA-N 2 1 345.447 1.239 20 0 EDADMP CN(CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000495962053 447678469 /nfs/dbraw/zinc/67/84/69/447678469.db2.gz OFNRPIKDDHYBAV-SJLPKXTDSA-N 2 1 334.464 1.029 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OC ZINC000422632308 447679377 /nfs/dbraw/zinc/67/93/77/447679377.db2.gz GOTVYFMAVHNICA-DZKIICNBSA-N 2 1 349.475 1.625 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OC ZINC000422632308 447679380 /nfs/dbraw/zinc/67/93/80/447679380.db2.gz GOTVYFMAVHNICA-DZKIICNBSA-N 2 1 349.475 1.625 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000422634401 447680809 /nfs/dbraw/zinc/68/08/09/447680809.db2.gz JOKLVJDGTVIWLL-IPYPFGDCSA-N 2 1 332.448 1.419 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000416935935 447714774 /nfs/dbraw/zinc/71/47/74/447714774.db2.gz HJKKGBPFMGPZBS-RDJZCZTQSA-N 2 1 340.512 1.502 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000416939686 447717636 /nfs/dbraw/zinc/71/76/36/447717636.db2.gz NIWHJJOYUPAOAD-CVEARBPZSA-N 2 1 328.501 1.406 20 0 EDADMP C[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422710295 447723330 /nfs/dbraw/zinc/72/33/30/447723330.db2.gz LLVLMXJDNIWJQD-KDOFPFPSSA-N 2 1 331.460 1.617 20 0 EDADMP CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422726058 447729553 /nfs/dbraw/zinc/72/95/53/447729553.db2.gz ZDIOELVRHNMJIX-OAHLLOKOSA-N 2 1 339.505 1.995 20 0 EDADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000422754138 447739872 /nfs/dbraw/zinc/73/98/72/447739872.db2.gz ACHJRJIOLSPPIZ-SXLOBPIMSA-N 2 1 346.519 1.146 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)Cn1ccnn1 ZINC000459695438 447742382 /nfs/dbraw/zinc/74/23/82/447742382.db2.gz KRCCFYNUYTZDGF-AKHDSKFASA-N 2 1 341.459 1.139 20 0 EDADMP CC[NH+]1CCC(NC(=O)CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000429407414 447746297 /nfs/dbraw/zinc/74/62/97/447746297.db2.gz ZDAJWHPAYDSVMT-INIZCTEOSA-N 2 1 336.524 1.393 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000458225924 447749326 /nfs/dbraw/zinc/74/93/26/447749326.db2.gz QJAFAVSOYAJMBY-INIZCTEOSA-N 2 1 339.505 1.748 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000458225924 447749332 /nfs/dbraw/zinc/74/93/32/447749332.db2.gz QJAFAVSOYAJMBY-INIZCTEOSA-N 2 1 339.505 1.748 20 0 EDADMP C[N@@H+]1CCCC12CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC2 ZINC000496262956 447750148 /nfs/dbraw/zinc/75/01/48/447750148.db2.gz KJBYRNJTZRQMTM-KRWDZBQOSA-N 2 1 341.496 1.822 20 0 EDADMP C[N@H+]1CCCC12CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC2 ZINC000496262956 447750151 /nfs/dbraw/zinc/75/01/51/447750151.db2.gz KJBYRNJTZRQMTM-KRWDZBQOSA-N 2 1 341.496 1.822 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](CO)CC(C)(C)C ZINC000451780467 447752853 /nfs/dbraw/zinc/75/28/53/447752853.db2.gz NFULQQBDQDNYNL-INIZCTEOSA-N 2 1 325.497 1.458 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@@H+]1CCc2ccccc2C1 ZINC000452377647 447819140 /nfs/dbraw/zinc/81/91/40/447819140.db2.gz RNKYAECLVNHIKU-QFBILLFUSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@H+]1CCc2ccccc2C1 ZINC000452377647 447819141 /nfs/dbraw/zinc/81/91/41/447819141.db2.gz RNKYAECLVNHIKU-QFBILLFUSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+]1CCc2ccccc2C1 ZINC000452377647 447819142 /nfs/dbraw/zinc/81/91/42/447819142.db2.gz RNKYAECLVNHIKU-QFBILLFUSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCc2ccccc2C1 ZINC000452377647 447819143 /nfs/dbraw/zinc/81/91/43/447819143.db2.gz RNKYAECLVNHIKU-QFBILLFUSA-N 2 1 345.487 1.396 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)C1CCCC1 ZINC000458330608 447770271 /nfs/dbraw/zinc/77/02/71/447770271.db2.gz FOOWLVSJUIDYCT-MRXNPFEDSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@H+]1CCCO)C1CCCC1 ZINC000458330608 447770274 /nfs/dbraw/zinc/77/02/74/447770274.db2.gz FOOWLVSJUIDYCT-MRXNPFEDSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)C1CCCC1 ZINC000458330607 447770629 /nfs/dbraw/zinc/77/06/29/447770629.db2.gz FOOWLVSJUIDYCT-INIZCTEOSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)C1CCCC1 ZINC000458330607 447770632 /nfs/dbraw/zinc/77/06/32/447770632.db2.gz FOOWLVSJUIDYCT-INIZCTEOSA-N 2 1 326.485 1.007 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430564154 447779815 /nfs/dbraw/zinc/77/98/15/447779815.db2.gz AUFUUEZFZIFEPM-KRWDZBQOSA-N 2 1 347.507 1.426 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@H](C)C[NH+](C)C(C)C)CC[N@H+]1C[C@@H](C)O ZINC000462523325 447799252 /nfs/dbraw/zinc/79/92/52/447799252.db2.gz FKYNZEZKTFQWTJ-OAGGEKHMSA-N 2 1 328.501 1.202 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC[NH+]1C[C@@H](C)O ZINC000462523325 447799254 /nfs/dbraw/zinc/79/92/54/447799254.db2.gz FKYNZEZKTFQWTJ-OAGGEKHMSA-N 2 1 328.501 1.202 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC[NH+]1C[C@@H](C)O ZINC000462523325 447799256 /nfs/dbraw/zinc/79/92/56/447799256.db2.gz FKYNZEZKTFQWTJ-OAGGEKHMSA-N 2 1 328.501 1.202 20 0 EDADMP CN(CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423105269 447806198 /nfs/dbraw/zinc/80/61/98/447806198.db2.gz YVCQMIXECGGWEO-HZPDHXFCSA-N 2 1 343.468 1.696 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000488651507 447849599 /nfs/dbraw/zinc/84/95/99/447849599.db2.gz RYGGVZDOZZXNHT-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000488651507 447849600 /nfs/dbraw/zinc/84/96/00/447849600.db2.gz RYGGVZDOZZXNHT-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000488651507 447849601 /nfs/dbraw/zinc/84/96/01/447849601.db2.gz RYGGVZDOZZXNHT-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496700889 447851604 /nfs/dbraw/zinc/85/16/04/447851604.db2.gz LPOAOIDSHHIAFP-RBSFLKMASA-N 2 1 329.485 1.677 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000489165391 447851938 /nfs/dbraw/zinc/85/19/38/447851938.db2.gz DZPAFPPBYWQBBE-JKSUJKDBSA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000575427354 447858895 /nfs/dbraw/zinc/85/88/95/447858895.db2.gz POOVVSDHWUHFHB-IRXDYDNUSA-N 2 1 326.868 1.944 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000575427354 447858898 /nfs/dbraw/zinc/85/88/98/447858898.db2.gz POOVVSDHWUHFHB-IRXDYDNUSA-N 2 1 326.868 1.944 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000530353668 447867645 /nfs/dbraw/zinc/86/76/45/447867645.db2.gz QEWGBMMMUBSPAM-UHFFFAOYSA-N 2 1 328.501 1.326 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523366471 447882003 /nfs/dbraw/zinc/88/20/03/447882003.db2.gz CJOAXXCLAANLFL-QGZVFWFLSA-N 2 1 327.432 1.615 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523366471 447882009 /nfs/dbraw/zinc/88/20/09/447882009.db2.gz CJOAXXCLAANLFL-QGZVFWFLSA-N 2 1 327.432 1.615 20 0 EDADMP CCN1CCC([N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496776849 447903949 /nfs/dbraw/zinc/90/39/49/447903949.db2.gz PUKLCEIGVZNKFT-HNNXBMFYSA-N 2 1 329.485 1.630 20 0 EDADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496776849 447903956 /nfs/dbraw/zinc/90/39/56/447903956.db2.gz PUKLCEIGVZNKFT-HNNXBMFYSA-N 2 1 329.485 1.630 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000523810775 447909969 /nfs/dbraw/zinc/90/99/69/447909969.db2.gz CTHSQSSUDGCNML-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cnn(C)c3)CC2)CC1 ZINC000570173337 447958332 /nfs/dbraw/zinc/95/83/32/447958332.db2.gz GRLJBDOVGCYWBA-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)[NH+]1CC(C)C1 ZINC000552844474 447959854 /nfs/dbraw/zinc/95/98/54/447959854.db2.gz XXYOREBRHRBYEN-AEFFLSMTSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000524955960 447961633 /nfs/dbraw/zinc/96/16/33/447961633.db2.gz PAKAQNGJDBGOIN-SZMVWBNQSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000524955960 447961637 /nfs/dbraw/zinc/96/16/37/447961637.db2.gz PAKAQNGJDBGOIN-SZMVWBNQSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000524955960 447961640 /nfs/dbraw/zinc/96/16/40/447961640.db2.gz PAKAQNGJDBGOIN-SZMVWBNQSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000524955960 447961643 /nfs/dbraw/zinc/96/16/43/447961643.db2.gz PAKAQNGJDBGOIN-SZMVWBNQSA-N 2 1 331.460 1.344 20 0 EDADMP CN(C)c1ncc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000576061315 447963208 /nfs/dbraw/zinc/96/32/08/447963208.db2.gz UAUUITHWTHVSOM-MRXNPFEDSA-N 2 1 341.459 1.624 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCC2=CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000570382554 447997832 /nfs/dbraw/zinc/99/78/32/447997832.db2.gz PAWKPXRSRAXVEA-QAPCUYQASA-N 2 1 328.460 1.868 20 0 EDADMP C[N@@H+](CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1CCCC1 ZINC000496887384 448003384 /nfs/dbraw/zinc/00/33/84/448003384.db2.gz XLUGVGZWYWMWEL-UHFFFAOYSA-N 2 1 327.473 1.499 20 0 EDADMP CCOC[C@H](O)C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000576101511 447972729 /nfs/dbraw/zinc/97/27/29/447972729.db2.gz WUHCZBCAOGAAOY-MRXNPFEDSA-N 2 1 325.453 1.490 20 0 EDADMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000570502649 448027743 /nfs/dbraw/zinc/02/77/43/448027743.db2.gz IBZOJDGNKLDGNH-WMZOPIPTSA-N 2 1 346.475 1.392 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497273721 448027982 /nfs/dbraw/zinc/02/79/82/448027982.db2.gz CUZRWRILHJCTLV-VBQJREDUSA-N 2 1 327.469 1.431 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497273721 448027986 /nfs/dbraw/zinc/02/79/86/448027986.db2.gz CUZRWRILHJCTLV-VBQJREDUSA-N 2 1 327.469 1.431 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000497276873 448030662 /nfs/dbraw/zinc/03/06/62/448030662.db2.gz OORJOJOZGDEFCD-FUHWJXTLSA-N 2 1 336.480 1.275 20 0 EDADMP CC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000502398987 448101607 /nfs/dbraw/zinc/10/16/07/448101607.db2.gz SDNGYQLGSBYCOQ-YQQAZPJKSA-N 2 1 335.496 1.602 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC000502583513 448101841 /nfs/dbraw/zinc/10/18/41/448101841.db2.gz BBSVLSLJHDMVPI-YTQUADARSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000502583513 448101848 /nfs/dbraw/zinc/10/18/48/448101848.db2.gz BBSVLSLJHDMVPI-YTQUADARSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000502583513 448101855 /nfs/dbraw/zinc/10/18/55/448101855.db2.gz BBSVLSLJHDMVPI-YTQUADARSA-N 2 1 349.519 1.963 20 0 EDADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1CCCc2c1cnn2-c1ncccn1 ZINC000576695549 448116688 /nfs/dbraw/zinc/11/66/88/448116688.db2.gz KAQONTAEDNNYOK-JSGCOSHPSA-N 2 1 348.401 1.874 20 0 EDADMP C[NH2+]CCCNC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000576730053 448127292 /nfs/dbraw/zinc/12/72/92/448127292.db2.gz ZXFZMUMLHUZFQS-DOTOQJQBSA-N 2 1 334.464 1.185 20 0 EDADMP C[NH2+]CCCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000576730053 448127299 /nfs/dbraw/zinc/12/72/99/448127299.db2.gz ZXFZMUMLHUZFQS-DOTOQJQBSA-N 2 1 334.464 1.185 20 0 EDADMP CC[NH+]1CCCN(c2cc(N3CCC[N@H+](CC)CC3)nc(C)n2)CC1 ZINC000531679882 448128300 /nfs/dbraw/zinc/12/83/00/448128300.db2.gz QCWAMSRIZIZDIG-UHFFFAOYSA-N 2 1 346.523 1.849 20 0 EDADMP CC[C@H](C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000531707946 448130017 /nfs/dbraw/zinc/13/00/17/448130017.db2.gz QTCVFDIKZCIOBR-KBAYOESNSA-N 2 1 333.476 1.732 20 0 EDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531714375 448131306 /nfs/dbraw/zinc/13/13/06/448131306.db2.gz CGNZQYQWKZFKEQ-LZQZEXGQSA-N 2 1 344.503 1.424 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C1 ZINC000531809344 448150370 /nfs/dbraw/zinc/15/03/70/448150370.db2.gz HSCFWAYXRNYBAF-USXIJHARSA-N 2 1 338.496 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000531809344 448150373 /nfs/dbraw/zinc/15/03/73/448150373.db2.gz HSCFWAYXRNYBAF-USXIJHARSA-N 2 1 338.496 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000531809344 448150378 /nfs/dbraw/zinc/15/03/78/448150378.db2.gz HSCFWAYXRNYBAF-USXIJHARSA-N 2 1 338.496 1.125 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000582476981 448247941 /nfs/dbraw/zinc/24/79/41/448247941.db2.gz PEMBBYAZUAYQEV-SCLBCKFNSA-N 2 1 349.500 1.785 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCCC[C@@H]1CCC[NH2+]1 ZINC000515059198 448250728 /nfs/dbraw/zinc/25/07/28/448250728.db2.gz FDQXQXCXAYAVNR-OALUTQOASA-N 2 1 345.487 1.926 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCC[C@@H]1CCC[NH2+]1 ZINC000515059198 448250733 /nfs/dbraw/zinc/25/07/33/448250733.db2.gz FDQXQXCXAYAVNR-OALUTQOASA-N 2 1 345.487 1.926 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCNC(=O)NC(C)C)[C@H](C)C1 ZINC000515056822 448251258 /nfs/dbraw/zinc/25/12/58/448251258.db2.gz KJXUCARNSFNVHO-HZPDHXFCSA-N 2 1 328.501 1.421 20 0 EDADMP [NH3+]C1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000515223416 448277937 /nfs/dbraw/zinc/27/79/37/448277937.db2.gz NQZWRBHOVRBRTI-QGZVFWFLSA-N 2 1 346.475 1.458 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000532463494 448262752 /nfs/dbraw/zinc/26/27/52/448262752.db2.gz FTMMNOYUBLGDDY-NVXWUHKLSA-N 2 1 325.460 2.485 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@H](OC)C3)CC2)CC1 ZINC000572176506 448308435 /nfs/dbraw/zinc/30/84/35/448308435.db2.gz CEFDRTIOEHFZMP-AEFFLSMTSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)Cn2cccn2)cc1F ZINC000582593270 448282815 /nfs/dbraw/zinc/28/28/15/448282815.db2.gz GTMAWJHLTFPJOF-OAHLLOKOSA-N 2 1 329.379 1.667 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000577386364 448285426 /nfs/dbraw/zinc/28/54/26/448285426.db2.gz PRQJEGIWXIOGLL-ZBFHGGJFSA-N 2 1 325.522 1.662 20 0 EDADMP COc1cc2[nH+]ccc(NCC[N@@H+]3CCO[C@H](C)C3)c2cc1OC ZINC000572342747 448349972 /nfs/dbraw/zinc/34/99/72/448349972.db2.gz VBRABMBKXNZSPC-CYBMUJFWSA-N 2 1 331.416 1.807 20 0 EDADMP COc1cc2[nH+]ccc(NCC[N@H+]3CCO[C@H](C)C3)c2cc1OC ZINC000572342747 448349975 /nfs/dbraw/zinc/34/99/75/448349975.db2.gz VBRABMBKXNZSPC-CYBMUJFWSA-N 2 1 331.416 1.807 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000515635606 448337006 /nfs/dbraw/zinc/33/70/06/448337006.db2.gz ISVLUNPFQWRFRP-CABCVRRESA-N 2 1 334.468 1.053 20 0 EDADMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000516514859 448431590 /nfs/dbraw/zinc/43/15/90/448431590.db2.gz FGCDBYCBKYSBRQ-KVSKMBFKSA-N 2 1 349.523 1.190 20 0 EDADMP C[C@H](CNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)[N@H+]1CCC[C@@H](C)C1 ZINC000578117347 448463649 /nfs/dbraw/zinc/46/36/49/448463649.db2.gz UUKQWAWVOTUWIV-VQHPVUNQSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566412332 448465142 /nfs/dbraw/zinc/46/51/42/448465142.db2.gz TYMPNYRIHXGIKT-NJAFHUGGSA-N 2 1 331.460 1.616 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566412332 448465146 /nfs/dbraw/zinc/46/51/46/448465146.db2.gz TYMPNYRIHXGIKT-NJAFHUGGSA-N 2 1 331.460 1.616 20 0 EDADMP Cc1cc(NC(=O)CC[NH2+]C2CC[NH+](CCOC(C)C)CC2)no1 ZINC000566556925 448506630 /nfs/dbraw/zinc/50/66/30/448506630.db2.gz LSDZJOKMVAYWJA-UHFFFAOYSA-N 2 1 338.452 1.791 20 0 EDADMP CN(C(=O)CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000584414098 448519361 /nfs/dbraw/zinc/51/93/61/448519361.db2.gz IADMLIMQECCRKE-UHFFFAOYSA-N 2 1 345.487 1.866 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000584533151 448561429 /nfs/dbraw/zinc/56/14/29/448561429.db2.gz SIYYUZFDPIGMBE-GOEBONIOSA-N 2 1 333.480 1.828 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000578520170 448568140 /nfs/dbraw/zinc/56/81/40/448568140.db2.gz RKLBNZCXDRRONN-GVDBMIGSSA-N 2 1 337.533 1.947 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H](C)C3C[NH2+]C3)cc2)CC1 ZINC000566853971 448572696 /nfs/dbraw/zinc/57/26/96/448572696.db2.gz LRZPUZLDNFPKKA-AWEZNQCLSA-N 2 1 344.459 1.145 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)[C@@H](C)C[N@H+]1C ZINC000536638773 448536128 /nfs/dbraw/zinc/53/61/28/448536128.db2.gz BQQZBGYQBQOUSI-RYRKJORJSA-N 2 1 330.476 1.845 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)[C@@H](C)C[NH+]1C ZINC000536638773 448536132 /nfs/dbraw/zinc/53/61/32/448536132.db2.gz BQQZBGYQBQOUSI-RYRKJORJSA-N 2 1 330.476 1.845 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)[C@@H](C)C[NH+]1C ZINC000536638773 448536137 /nfs/dbraw/zinc/53/61/37/448536137.db2.gz BQQZBGYQBQOUSI-RYRKJORJSA-N 2 1 330.476 1.845 20 0 EDADMP O[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)CC1(O)CCC1 ZINC000528491434 448551882 /nfs/dbraw/zinc/55/18/82/448551882.db2.gz SBHYBYOLNFLFKH-OTWHNJEPSA-N 2 1 330.472 1.716 20 0 EDADMP O[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)CC1(O)CCC1 ZINC000528491434 448551888 /nfs/dbraw/zinc/55/18/88/448551888.db2.gz SBHYBYOLNFLFKH-OTWHNJEPSA-N 2 1 330.472 1.716 20 0 EDADMP O[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)CC1(O)CCC1 ZINC000528491434 448551893 /nfs/dbraw/zinc/55/18/93/448551893.db2.gz SBHYBYOLNFLFKH-OTWHNJEPSA-N 2 1 330.472 1.716 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000573407130 448617950 /nfs/dbraw/zinc/61/79/50/448617950.db2.gz FPMPPNCDLODPAA-AEFFLSMTSA-N 2 1 337.508 1.747 20 0 EDADMP CS[C@@H]1CN(c2nc(N)[nH+]c3c2CCCC3)C[C@H]1[NH+]1CCCC1 ZINC000591931537 448587483 /nfs/dbraw/zinc/58/74/83/448587483.db2.gz DPDPTFUGAMGNFN-HUUCEWRRSA-N 2 1 333.505 1.954 20 0 EDADMP CN(CCC[NH+](C)C)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000540514708 448639911 /nfs/dbraw/zinc/63/99/11/448639911.db2.gz BYDOIZNYXGTXFK-UHFFFAOYSA-N 2 1 332.492 1.214 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C[C@H]1c1ccccc1F ZINC000578890526 448663974 /nfs/dbraw/zinc/66/39/74/448663974.db2.gz QQFYHHPHIMGYPO-OSAQELSMSA-N 2 1 343.406 1.193 20 0 EDADMP C[NH+]1CCN(C[C@H](O)CNc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000573439228 448626602 /nfs/dbraw/zinc/62/66/02/448626602.db2.gz OJXUQIAUMGVLDE-HXUWFJFHSA-N 2 1 346.519 1.345 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000573746954 448703903 /nfs/dbraw/zinc/70/39/03/448703903.db2.gz XRIRQMGRCAZQTI-HNNXBMFYSA-N 2 1 347.463 1.264 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)[C@H]([NH3+])C2CCC2)c2cccs2)CC1 ZINC000519391909 448764910 /nfs/dbraw/zinc/76/49/10/448764910.db2.gz NZVVPPRNWSAEMY-GOEBONIOSA-N 2 1 336.505 1.280 20 0 EDADMP Cc1n[nH]cc1C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000573822050 448723520 /nfs/dbraw/zinc/72/35/20/448723520.db2.gz GOTKSPGZJRASNV-UHFFFAOYSA-N 2 1 345.491 1.641 20 0 EDADMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000579149763 448728697 /nfs/dbraw/zinc/72/86/97/448728697.db2.gz KROYFCWYVYYLKY-WBVHZDCISA-N 2 1 325.497 1.602 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000529094358 448757830 /nfs/dbraw/zinc/75/78/30/448757830.db2.gz RAJZTMZJEGQFMS-HNNXBMFYSA-N 2 1 347.488 1.937 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000529094358 448757835 /nfs/dbraw/zinc/75/78/35/448757835.db2.gz RAJZTMZJEGQFMS-HNNXBMFYSA-N 2 1 347.488 1.937 20 0 EDADMP COc1ccc(NC(=O)C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000574062326 448783384 /nfs/dbraw/zinc/78/33/84/448783384.db2.gz DGORLTQSXGPAMJ-PKOBYXMFSA-N 2 1 347.459 1.852 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000567986818 448793556 /nfs/dbraw/zinc/79/35/56/448793556.db2.gz FCWHLBWTDNDVKN-GJZGRUSLSA-N 2 1 349.504 1.480 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC[N@H+]1C ZINC000529314611 448818384 /nfs/dbraw/zinc/81/83/84/448818384.db2.gz VRNYORGCMPWBGL-PVAVHDDUSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000529319730 448821071 /nfs/dbraw/zinc/82/10/71/448821071.db2.gz CIRPICXJUXCENY-JQHSSLGASA-N 2 1 346.475 1.185 20 0 EDADMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568214729 448839319 /nfs/dbraw/zinc/83/93/19/448839319.db2.gz BMRQKQWPIMKXCU-RTBURBONSA-N 2 1 347.503 1.718 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CCC[NH3+] ZINC000592473819 448851596 /nfs/dbraw/zinc/85/15/96/448851596.db2.gz PUIUZQXXZKOCRX-IHWZXDPASA-N 2 1 336.480 1.450 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CCC[NH3+] ZINC000592473819 448851601 /nfs/dbraw/zinc/85/16/01/448851601.db2.gz PUIUZQXXZKOCRX-IHWZXDPASA-N 2 1 336.480 1.450 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574401496 448866274 /nfs/dbraw/zinc/86/62/74/448866274.db2.gz DHKLRIFJXAHHMS-DZGCQCFKSA-N 2 1 344.459 1.463 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4F)o3)CCN2C1=O ZINC000579732846 448868052 /nfs/dbraw/zinc/86/80/52/448868052.db2.gz DSKDZMMAWFLFPF-WBMJQRKESA-N 2 1 329.375 1.830 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4F)o3)CCN2C1=O ZINC000579732846 448868058 /nfs/dbraw/zinc/86/80/58/448868058.db2.gz DSKDZMMAWFLFPF-WBMJQRKESA-N 2 1 329.375 1.830 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2)C[C@H](C)O1 ZINC000568629275 448898490 /nfs/dbraw/zinc/89/84/90/448898490.db2.gz CMZXNRRTHYHDMR-MWABVPJASA-N 2 1 331.460 1.858 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2)C[C@H](C)O1 ZINC000568629275 448898493 /nfs/dbraw/zinc/89/84/93/448898493.db2.gz CMZXNRRTHYHDMR-MWABVPJASA-N 2 1 331.460 1.858 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000592558580 448900737 /nfs/dbraw/zinc/90/07/37/448900737.db2.gz BYODQBCVPQUGBA-ZBFHGGJFSA-N 2 1 339.480 1.251 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000574636133 448921632 /nfs/dbraw/zinc/92/16/32/448921632.db2.gz IEHFRHJJVXYSKI-GOSISDBHSA-N 2 1 333.476 1.782 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000574636133 448921636 /nfs/dbraw/zinc/92/16/36/448921636.db2.gz IEHFRHJJVXYSKI-GOSISDBHSA-N 2 1 333.476 1.782 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000592759614 448973734 /nfs/dbraw/zinc/97/37/34/448973734.db2.gz TWUFAQWFTSYRLA-ZIAGYGMSSA-N 2 1 327.469 1.059 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000569233669 448985934 /nfs/dbraw/zinc/98/59/34/448985934.db2.gz IHBBGYNRBCUKDT-UHFFFAOYSA-N 2 1 341.402 1.244 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)[C@H](C)C[NH2+]1 ZINC000575106228 449035610 /nfs/dbraw/zinc/03/56/10/449035610.db2.gz FZNAUVKJFKZTHD-HZPDHXFCSA-N 2 1 346.475 1.775 20 0 EDADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000575172896 449053781 /nfs/dbraw/zinc/05/37/81/449053781.db2.gz SNDNNAOHNMKUQP-MANSERQUSA-N 2 1 337.508 1.111 20 0 EDADMP COCc1cnc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000530248808 449093749 /nfs/dbraw/zinc/09/37/49/449093749.db2.gz PLVVAZJODNVRLJ-AWEZNQCLSA-N 2 1 325.478 1.880 20 0 EDADMP C[C@H]1CCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@@H]1CC[NH3+] ZINC000593730818 449165621 /nfs/dbraw/zinc/16/56/21/449165621.db2.gz HNMQTOAQGAZGGH-DOTOQJQBSA-N 2 1 346.475 1.852 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593735076 449169783 /nfs/dbraw/zinc/16/97/83/449169783.db2.gz XNTSARNZYPUPTR-FXUDXRNXSA-N 2 1 338.496 1.840 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593735076 449169790 /nfs/dbraw/zinc/16/97/90/449169790.db2.gz XNTSARNZYPUPTR-FXUDXRNXSA-N 2 1 338.496 1.840 20 0 EDADMP CC(C)OC(=O)C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000594042879 449335508 /nfs/dbraw/zinc/33/55/08/449335508.db2.gz HUZRRJHGRYTOJQ-OAHLLOKOSA-N 2 1 327.469 1.106 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000611724108 449396283 /nfs/dbraw/zinc/39/62/83/449396283.db2.gz DEHYXZANUWQYOX-BRWVUGGUSA-N 2 1 338.496 1.269 20 0 EDADMP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607340074 449597343 /nfs/dbraw/zinc/59/73/43/449597343.db2.gz AKQPOTRVQYFYJN-RBUKOAKNSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607340074 449597348 /nfs/dbraw/zinc/59/73/48/449597348.db2.gz AKQPOTRVQYFYJN-RBUKOAKNSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607340074 449597352 /nfs/dbraw/zinc/59/73/52/449597352.db2.gz AKQPOTRVQYFYJN-RBUKOAKNSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607340074 449597358 /nfs/dbraw/zinc/59/73/58/449597358.db2.gz AKQPOTRVQYFYJN-RBUKOAKNSA-N 2 1 343.471 1.488 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4nccnc4c3)C2)CC1 ZINC000602467753 449614137 /nfs/dbraw/zinc/61/41/37/449614137.db2.gz ZHSMZIZLAVTBQH-QGZVFWFLSA-N 2 1 325.460 1.842 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1c2ccccc2NC1=O ZINC000617504635 449650959 /nfs/dbraw/zinc/65/09/59/449650959.db2.gz CMOJAMAAYIQMKR-GOEBONIOSA-N 2 1 346.475 1.501 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1c2ccccc2NC1=O ZINC000617504635 449650963 /nfs/dbraw/zinc/65/09/63/449650963.db2.gz CMOJAMAAYIQMKR-GOEBONIOSA-N 2 1 346.475 1.501 20 0 EDADMP CO[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccc(O)cc1 ZINC000617506914 449655731 /nfs/dbraw/zinc/65/57/31/449655731.db2.gz CCHQSPNMFJAPQQ-WMLDXEAASA-N 2 1 337.464 1.468 20 0 EDADMP CO[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc(O)cc1 ZINC000617506914 449655733 /nfs/dbraw/zinc/65/57/33/449655733.db2.gz CCHQSPNMFJAPQQ-WMLDXEAASA-N 2 1 337.464 1.468 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnn(C)c1-n1cccc1 ZINC000617503975 449646364 /nfs/dbraw/zinc/64/63/64/449646364.db2.gz CRAXGBPFPSUXSI-HNNXBMFYSA-N 2 1 346.479 1.213 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnn(C)c1-n1cccc1 ZINC000617503975 449646370 /nfs/dbraw/zinc/64/63/70/449646370.db2.gz CRAXGBPFPSUXSI-HNNXBMFYSA-N 2 1 346.479 1.213 20 0 EDADMP CCOC(=O)[C@@]1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCOC1 ZINC000602745497 449780399 /nfs/dbraw/zinc/78/03/99/449780399.db2.gz PBDBUEVPNCEWBO-SJLPKXTDSA-N 2 1 340.464 1.189 20 0 EDADMP CC[C@H](C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[NH+](CC)CC ZINC000617700341 449744794 /nfs/dbraw/zinc/74/47/94/449744794.db2.gz CGLGBSHLEGWYPY-RTBURBONSA-N 2 1 347.503 1.990 20 0 EDADMP CC(C)(C)OC(=O)COCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000601296686 449807347 /nfs/dbraw/zinc/80/73/47/449807347.db2.gz XGLIEEAAFOSZON-MRXNPFEDSA-N 2 1 342.480 1.578 20 0 EDADMP C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000617932339 449929248 /nfs/dbraw/zinc/92/92/48/449929248.db2.gz UQLXAENWSWKCHZ-SFHVURJKSA-N 2 1 346.475 1.777 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000617932339 449929251 /nfs/dbraw/zinc/92/92/51/449929251.db2.gz UQLXAENWSWKCHZ-SFHVURJKSA-N 2 1 346.475 1.777 20 0 EDADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000608692369 449910881 /nfs/dbraw/zinc/91/08/81/449910881.db2.gz JHLMKIHVTNVOOX-IAGOWNOFSA-N 2 1 338.496 1.223 20 0 EDADMP CCOC(=O)C[C@@H](O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000599411156 449956572 /nfs/dbraw/zinc/95/65/72/449956572.db2.gz WBOSOJFWYSTDIY-OAHLLOKOSA-N 2 1 343.427 1.671 20 0 EDADMP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000612978153 449968547 /nfs/dbraw/zinc/96/85/47/449968547.db2.gz SSMYHQQIUMMYLH-OAGGEKHMSA-N 2 1 336.480 1.071 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000615309055 450056745 /nfs/dbraw/zinc/05/67/45/450056745.db2.gz PJILHKKDAMHOCQ-SUMDDJOVSA-N 2 1 331.460 1.174 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000619899104 450366777 /nfs/dbraw/zinc/36/67/77/450366777.db2.gz LDBFWVFTGNUSLB-SFHVURJKSA-N 2 1 344.503 1.799 20 0 EDADMP CN1CC[NH+](CC2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)CC1 ZINC000623050851 450383091 /nfs/dbraw/zinc/38/30/91/450383091.db2.gz LNKFTAHTFQOZDC-UHFFFAOYSA-N 2 1 329.492 1.813 20 0 EDADMP C[C@@H]1C[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)C1(F)F ZINC000625651942 450465201 /nfs/dbraw/zinc/46/52/01/450465201.db2.gz ZFEQKSRYGDGRIG-CHWSQXEVSA-N 2 1 329.435 1.953 20 0 EDADMP C[N@H+]1C[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)[C@@H](c2ccccc2)C1 ZINC000625715175 450486454 /nfs/dbraw/zinc/48/64/54/450486454.db2.gz FXRGMFPZDOPEQS-MOPGFXCFSA-N 2 1 345.487 1.295 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC1(C)COC1 ZINC000625790456 450508126 /nfs/dbraw/zinc/50/81/26/450508126.db2.gz AJDNONMEAVBFJM-FUHWJXTLSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC1(C)COC1 ZINC000625790456 450508131 /nfs/dbraw/zinc/50/81/31/450508131.db2.gz AJDNONMEAVBFJM-FUHWJXTLSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC1(C)COC1 ZINC000625790456 450508134 /nfs/dbraw/zinc/50/81/34/450508134.db2.gz AJDNONMEAVBFJM-FUHWJXTLSA-N 2 1 345.487 1.734 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1(C)C ZINC000623375167 450508781 /nfs/dbraw/zinc/50/87/81/450508781.db2.gz AVPICWFQAOTYGO-KGLIPLIRSA-N 2 1 336.432 1.617 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000623621263 450553790 /nfs/dbraw/zinc/55/37/90/450553790.db2.gz UGSRCLUPHMNLCF-YESZJQIVSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000623621263 450553793 /nfs/dbraw/zinc/55/37/93/450553793.db2.gz UGSRCLUPHMNLCF-YESZJQIVSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000623621263 450553795 /nfs/dbraw/zinc/55/37/95/450553795.db2.gz UGSRCLUPHMNLCF-YESZJQIVSA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@@H+](CCN1CCCS1(=O)=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063089 450565785 /nfs/dbraw/zinc/56/57/85/450565785.db2.gz QQBCKCUALMQXKY-UHFFFAOYSA-N 2 1 339.505 1.606 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC000620971386 450567552 /nfs/dbraw/zinc/56/75/52/450567552.db2.gz HYJRDNVHNWEGNS-ROUUACIJSA-N 2 1 337.508 1.963 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000621151360 450598488 /nfs/dbraw/zinc/59/84/88/450598488.db2.gz YSDAIZUENSCMFL-IBGZPJMESA-N 2 1 344.503 1.261 20 0 EDADMP C[C@@H]1C[C@H](N(C)c2nc(N)[nH+]c(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000623984330 450660880 /nfs/dbraw/zinc/66/08/80/450660880.db2.gz DTKUNSPSVNWQSM-TZMCWYRMSA-N 2 1 327.436 1.186 20 0 EDADMP Cc1cc(CNC(=O)NC[C@H]2COCCN2C)cc(N2CCCC2)[nH+]1 ZINC000624085361 450700572 /nfs/dbraw/zinc/70/05/72/450700572.db2.gz PEAHDFTVSXZZIL-INIZCTEOSA-N 2 1 347.463 1.120 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629542798 450729642 /nfs/dbraw/zinc/72/96/42/450729642.db2.gz MGTVFJHTRJLGLS-IAGOWNOFSA-N 2 1 329.448 1.110 20 0 EDADMP Cc1ccncc1C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629542798 450729645 /nfs/dbraw/zinc/72/96/45/450729645.db2.gz MGTVFJHTRJLGLS-IAGOWNOFSA-N 2 1 329.448 1.110 20 0 EDADMP C[C@H](CNS(=O)(=O)CCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000631722796 450733854 /nfs/dbraw/zinc/73/38/54/450733854.db2.gz LTJRTXSQDSODSE-OAHLLOKOSA-N 2 1 339.505 1.304 20 0 EDADMP C[C@H](CNS(=O)(=O)CCC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000631722796 450733855 /nfs/dbraw/zinc/73/38/55/450733855.db2.gz LTJRTXSQDSODSE-OAHLLOKOSA-N 2 1 339.505 1.304 20 0 EDADMP C[C@@H](NC(=O)C[N@H+](C)CCOCC[NH3+])c1ccc2ccccc2c1 ZINC000629574467 450744564 /nfs/dbraw/zinc/74/45/64/450744564.db2.gz HVTCPHNGZRVDLV-OAHLLOKOSA-N 2 1 329.444 1.924 20 0 EDADMP C[C@@H](NC(=O)C[N@@H+](C)CCOCC[NH3+])c1ccc2ccccc2c1 ZINC000629574467 450744567 /nfs/dbraw/zinc/74/45/67/450744567.db2.gz HVTCPHNGZRVDLV-OAHLLOKOSA-N 2 1 329.444 1.924 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+])c1cc2ccccc2o1 ZINC000629578678 450745012 /nfs/dbraw/zinc/74/50/12/450745012.db2.gz DAPZREFSQLDKQB-KBPBESRZSA-N 2 1 333.432 1.906 20 0 EDADMP C[C@H](c1ccc(NC[C@H](O)C[NH+]2CCCC2)cc1)[NH+]1CCOCC1 ZINC000629582305 450748938 /nfs/dbraw/zinc/74/89/38/450748938.db2.gz SATRHEHTEPHZHC-APWZRJJASA-N 2 1 333.476 1.948 20 0 EDADMP COC[C@@H](C)[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000629590421 450753026 /nfs/dbraw/zinc/75/30/26/450753026.db2.gz ZBHRMTMNEFJFHD-APWZRJJASA-N 2 1 345.487 1.833 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621656728 450818142 /nfs/dbraw/zinc/81/81/42/450818142.db2.gz VZYZDQQVOYYPCU-WBVHZDCISA-N 2 1 331.460 1.948 20 0 EDADMP CCCn1nccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000631829415 450801021 /nfs/dbraw/zinc/80/10/21/450801021.db2.gz PZOTUVGHMDUCEC-XHSDSOJGSA-N 2 1 349.479 1.592 20 0 EDADMP CCCn1nccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000631829415 450801027 /nfs/dbraw/zinc/80/10/27/450801027.db2.gz PZOTUVGHMDUCEC-XHSDSOJGSA-N 2 1 349.479 1.592 20 0 EDADMP C[N@@H+](CCOCC[NH3+])C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000631835279 450803889 /nfs/dbraw/zinc/80/38/89/450803889.db2.gz QDRWMWDDQHBJDQ-ZDUSSCGKSA-N 2 1 337.247 1.640 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000629917197 450886815 /nfs/dbraw/zinc/88/68/15/450886815.db2.gz PGDYOTUKSVBWDZ-ZWKOTPCHSA-N 2 1 331.460 1.049 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(OC)n[nH]1 ZINC000626700001 450857832 /nfs/dbraw/zinc/85/78/32/450857832.db2.gz CBFIKWZRUMFCOV-ZDUSSCGKSA-N 2 1 338.456 1.298 20 0 EDADMP CC(=O)N1CC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2ccccc21 ZINC000621751762 450857909 /nfs/dbraw/zinc/85/79/09/450857909.db2.gz NDNNMGUEUOOYKB-QGZVFWFLSA-N 2 1 344.459 1.238 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[N@H+](C)C1CCC1 ZINC000629963570 450922581 /nfs/dbraw/zinc/92/25/81/450922581.db2.gz UIPIYQHQKBOZOA-KRWDZBQOSA-N 2 1 344.503 1.798 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC000629963570 450922585 /nfs/dbraw/zinc/92/25/85/450922585.db2.gz UIPIYQHQKBOZOA-KRWDZBQOSA-N 2 1 344.503 1.798 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[N@@H+]1C ZINC000633641880 450957418 /nfs/dbraw/zinc/95/74/18/450957418.db2.gz PYQAXAFPMVAOAR-YLFCFFPRSA-N 2 1 335.492 1.476 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[N@H+]1C ZINC000633641880 450957420 /nfs/dbraw/zinc/95/74/20/450957420.db2.gz PYQAXAFPMVAOAR-YLFCFFPRSA-N 2 1 335.492 1.476 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000626974763 451044423 /nfs/dbraw/zinc/04/44/23/451044423.db2.gz JSTHEQVWRBEUHT-GJZGRUSLSA-N 2 1 326.485 1.175 20 0 EDADMP C[N@@H+](CCCNC(=O)NC1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000626934691 451017897 /nfs/dbraw/zinc/01/78/97/451017897.db2.gz LPKKWSWZNQPVHH-UHFFFAOYSA-N 2 1 326.485 1.448 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626936745 451018444 /nfs/dbraw/zinc/01/84/44/451018444.db2.gz LLSJDSHAYHYZEU-IYBDPMFKSA-N 2 1 340.512 1.552 20 0 EDADMP C[NH2+]CCOCCNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000626939987 451021414 /nfs/dbraw/zinc/02/14/14/451021414.db2.gz QJDTXQHGCLNCHX-ZDUSSCGKSA-N 2 1 340.493 1.030 20 0 EDADMP C[NH2+]CCOCCNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000626939987 451021420 /nfs/dbraw/zinc/02/14/20/451021420.db2.gz QJDTXQHGCLNCHX-ZDUSSCGKSA-N 2 1 340.493 1.030 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000626939933 451021702 /nfs/dbraw/zinc/02/17/02/451021702.db2.gz PNPXNATWBZUSTJ-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000626948993 451027917 /nfs/dbraw/zinc/02/79/17/451027917.db2.gz GYDWZMHNTICLSM-RLFYNMQTSA-N 2 1 346.475 1.457 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000626948993 451027922 /nfs/dbraw/zinc/02/79/22/451027922.db2.gz GYDWZMHNTICLSM-RLFYNMQTSA-N 2 1 346.475 1.457 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000626993703 451059291 /nfs/dbraw/zinc/05/92/91/451059291.db2.gz KYMAZTCFMNAZLV-WMZOPIPTSA-N 2 1 348.491 1.514 20 0 EDADMP [NH3+]CCCOCCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000627027395 451088619 /nfs/dbraw/zinc/08/86/19/451088619.db2.gz OWILIIARIHRHJN-INIZCTEOSA-N 2 1 326.485 1.448 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N(C)CCOCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000627039279 451096165 /nfs/dbraw/zinc/09/61/65/451096165.db2.gz ULKJRWMCZGZFJP-NVXWUHKLSA-N 2 1 334.464 1.266 20 0 EDADMP CCO[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)C1CC1 ZINC000625023383 451116550 /nfs/dbraw/zinc/11/65/50/451116550.db2.gz FAVBFDJJHYBRCL-IAGOWNOFSA-N 2 1 325.497 1.676 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000627166855 451159961 /nfs/dbraw/zinc/15/99/61/451159961.db2.gz OVPQJUQHRBIFSC-SCTDSRPQSA-N 2 1 346.475 1.063 20 0 EDADMP CN(C(=O)NCCOCCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627216201 451192197 /nfs/dbraw/zinc/19/21/97/451192197.db2.gz SMESFNRRCQMMNX-QGZVFWFLSA-N 2 1 334.464 1.268 20 0 EDADMP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000638098342 451262709 /nfs/dbraw/zinc/26/27/09/451262709.db2.gz BTYIKHBICZTFCM-XLIONFOSSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000638098342 451262717 /nfs/dbraw/zinc/26/27/17/451262717.db2.gz BTYIKHBICZTFCM-XLIONFOSSA-N 2 1 345.487 1.876 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000638099744 451264949 /nfs/dbraw/zinc/26/49/49/451264949.db2.gz DYHMCHLTZHIXNA-RYQLBKOJSA-N 2 1 333.476 1.910 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)CC(C)C ZINC000636524244 451266950 /nfs/dbraw/zinc/26/69/50/451266950.db2.gz IEHJFYUMMUTTDN-HOTGVXAUSA-N 2 1 328.501 1.109 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H]3COc4ccccc4O3)nn2)CC1 ZINC000630603259 451271438 /nfs/dbraw/zinc/27/14/38/451271438.db2.gz MBHMOPALAKOMOM-INIZCTEOSA-N 2 1 343.431 1.084 20 0 EDADMP COCc1cccc(-c2cn(CC[N@H+](C)CCC[NH+](C)C)nn2)c1 ZINC000630612183 451275965 /nfs/dbraw/zinc/27/59/65/451275965.db2.gz RQBPWRUNLJYDBW-UHFFFAOYSA-N 2 1 331.464 1.975 20 0 EDADMP COCc1cccc(-c2cn(CC[N@@H+](C)CCC[NH+](C)C)nn2)c1 ZINC000630612183 451275968 /nfs/dbraw/zinc/27/59/68/451275968.db2.gz RQBPWRUNLJYDBW-UHFFFAOYSA-N 2 1 331.464 1.975 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638111256 451279887 /nfs/dbraw/zinc/27/98/87/451279887.db2.gz MSCNNZTYYJXMMI-RTBURBONSA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638111256 451279891 /nfs/dbraw/zinc/27/98/91/451279891.db2.gz MSCNNZTYYJXMMI-RTBURBONSA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638111256 451279895 /nfs/dbraw/zinc/27/98/95/451279895.db2.gz MSCNNZTYYJXMMI-RTBURBONSA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638111256 451279900 /nfs/dbraw/zinc/27/99/00/451279900.db2.gz MSCNNZTYYJXMMI-RTBURBONSA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638111256 451279902 /nfs/dbraw/zinc/27/99/02/451279902.db2.gz MSCNNZTYYJXMMI-RTBURBONSA-N 2 1 346.519 1.540 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638112899 451281098 /nfs/dbraw/zinc/28/10/98/451281098.db2.gz WPNPJGPIKCDCLP-HBFSDRIKSA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638113216 451281470 /nfs/dbraw/zinc/28/14/70/451281470.db2.gz ZSEOEBMPPBPALC-CRAIPNDOSA-N 2 1 325.497 1.759 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000634296906 451282543 /nfs/dbraw/zinc/28/25/43/451282543.db2.gz CRFBZNDDVMUSAG-SFHVURJKSA-N 2 1 330.476 1.964 20 0 EDADMP C[C@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000638129580 451300437 /nfs/dbraw/zinc/30/04/37/451300437.db2.gz BWWFCGYTGJKIEC-FXAWDEMLSA-N 2 1 345.487 1.865 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1CC[NH2+]CC1 ZINC000638133750 451304875 /nfs/dbraw/zinc/30/48/75/451304875.db2.gz MFTXMQSUUFUSBK-LJQANCHMSA-N 2 1 344.503 1.262 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000638133590 451306059 /nfs/dbraw/zinc/30/60/59/451306059.db2.gz JDBZYRLBOLLEGM-IDCJVQTKSA-N 2 1 331.460 1.518 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C3=CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000638136512 451308581 /nfs/dbraw/zinc/30/85/81/451308581.db2.gz HVSLABOCNJNAMH-GOSISDBHSA-N 2 1 328.460 1.098 20 0 EDADMP CC[N@@H+](CCCNS(=O)(=O)CCC[NH+](C)C)C1CCCCC1 ZINC000632508633 451354582 /nfs/dbraw/zinc/35/45/82/451354582.db2.gz JRFFZJQSVUKOIC-UHFFFAOYSA-N 2 1 333.542 1.902 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638212947 451357353 /nfs/dbraw/zinc/35/73/53/451357353.db2.gz BGEKGYIEGVEQST-MRXNPFEDSA-N 3 1 332.492 1.484 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@@H]1CCCC[N@H+](C)C1)n2C ZINC000628752305 451398430 /nfs/dbraw/zinc/39/84/30/451398430.db2.gz YZNUTSBZGBZZFI-ZDUSSCGKSA-N 2 1 344.463 1.496 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)n2C ZINC000628752305 451398437 /nfs/dbraw/zinc/39/84/37/451398437.db2.gz YZNUTSBZGBZZFI-ZDUSSCGKSA-N 2 1 344.463 1.496 20 0 EDADMP C[N@@H+](CC(=O)NCC(=O)NCC[NH+]1CCCCCC1)CC(C)(C)C ZINC000635963061 451401513 /nfs/dbraw/zinc/40/15/13/451401513.db2.gz ZZDYLTHAGIMDON-UHFFFAOYSA-N 2 1 340.512 1.073 20 0 EDADMP C[C@@](O)(C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000634638261 451430461 /nfs/dbraw/zinc/43/04/61/451430461.db2.gz LCZCYMKHPAKXKM-VQTJNVASSA-N 2 1 348.487 1.520 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)ccn1 ZINC000640608041 451454935 /nfs/dbraw/zinc/45/49/35/451454935.db2.gz IAZMSVTZYQSDFT-UHFFFAOYSA-N 2 1 349.479 1.454 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)ccn1 ZINC000640608041 451454939 /nfs/dbraw/zinc/45/49/39/451454939.db2.gz IAZMSVTZYQSDFT-UHFFFAOYSA-N 2 1 349.479 1.454 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000638375312 451471522 /nfs/dbraw/zinc/47/15/22/451471522.db2.gz XFQHVSXTKPLSHI-IBGZPJMESA-N 2 1 344.503 1.582 20 0 EDADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Cn1cccn1 ZINC000634699509 451471593 /nfs/dbraw/zinc/47/15/93/451471593.db2.gz KOEYFBBIFOSOND-MJGOQNOKSA-N 2 1 328.460 1.746 20 0 EDADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cn1cccn1 ZINC000634699509 451471598 /nfs/dbraw/zinc/47/15/98/451471598.db2.gz KOEYFBBIFOSOND-MJGOQNOKSA-N 2 1 328.460 1.746 20 0 EDADMP CC(=O)N1CCC(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634703441 451478559 /nfs/dbraw/zinc/47/85/59/451478559.db2.gz WGMHMGARGBAHDD-FQEVSTJZSA-N 2 1 345.487 1.472 20 0 EDADMP CC(=O)N1CCC(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634703441 451478564 /nfs/dbraw/zinc/47/85/64/451478564.db2.gz WGMHMGARGBAHDD-FQEVSTJZSA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(=O)[nH]c2)c2cccs2)CC1 ZINC000631030678 451543422 /nfs/dbraw/zinc/54/34/22/451543422.db2.gz WLJURQZAIDXBAY-OAHLLOKOSA-N 2 1 332.473 1.927 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638546326 451571274 /nfs/dbraw/zinc/57/12/74/451571274.db2.gz DDEUCMLTMVMSHK-OSMZGAPFSA-N 2 1 345.365 1.681 20 0 EDADMP COc1cc(C[C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)ccn1 ZINC000638564619 451578830 /nfs/dbraw/zinc/57/88/30/451578830.db2.gz LGJBUXRGUMRMDE-INIZCTEOSA-N 2 1 334.508 1.884 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(C[NH2+]C3CCCCC3)nn2)CC1 ZINC000640829362 451614648 /nfs/dbraw/zinc/61/46/48/451614648.db2.gz CTCZFNLQLHXWQO-OAHLLOKOSA-N 2 1 348.495 1.426 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638668778 451642128 /nfs/dbraw/zinc/64/21/28/451642128.db2.gz NKLWQBLWZNNXGK-QGZVFWFLSA-N 2 1 327.384 1.816 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000638770939 451685113 /nfs/dbraw/zinc/68/51/13/451685113.db2.gz KQMIDTWREHKRJL-QGZVFWFLSA-N 2 1 337.508 1.745 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCCCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000638820221 451700974 /nfs/dbraw/zinc/70/09/74/451700974.db2.gz SQIPXXWYACZLEX-DLBZAZTESA-N 2 1 325.497 1.853 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000638855177 451712123 /nfs/dbraw/zinc/71/21/23/451712123.db2.gz QKIDHHJFUFMXFV-BZZMCLGOSA-N 2 1 331.460 1.235 20 0 EDADMP C[NH+](C)C1(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)CCCCCC1 ZINC000636483598 451731263 /nfs/dbraw/zinc/73/12/63/451731263.db2.gz RNDAJOXMIJHMIN-OAHLLOKOSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638931972 451738886 /nfs/dbraw/zinc/73/88/86/451738886.db2.gz TUPLWDMLUAREIT-NVXWUHKLSA-N 3 1 330.476 1.318 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000638949108 451741931 /nfs/dbraw/zinc/74/19/31/451741931.db2.gz XXAFGVRGTVRHBS-SZMVWBNQSA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000638949108 451741933 /nfs/dbraw/zinc/74/19/33/451741933.db2.gz XXAFGVRGTVRHBS-SZMVWBNQSA-N 2 1 331.460 1.521 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638987341 451747784 /nfs/dbraw/zinc/74/77/84/451747784.db2.gz PTYZKGMPLKHKIA-QGZVFWFLSA-N 2 1 341.415 1.138 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCCn2nccc21 ZINC000637266033 451774429 /nfs/dbraw/zinc/77/44/29/451774429.db2.gz VCFGCEJJOGINND-GJZGRUSLSA-N 2 1 336.484 1.289 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCCn2nccc21 ZINC000637266033 451774432 /nfs/dbraw/zinc/77/44/32/451774432.db2.gz VCFGCEJJOGINND-GJZGRUSLSA-N 2 1 336.484 1.289 20 0 EDADMP CC(C)Oc1ccnc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000641202065 451779078 /nfs/dbraw/zinc/77/90/78/451779078.db2.gz PJYDYHNLCCFXBB-UHFFFAOYSA-N 2 1 344.463 1.474 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc(C[C@H]([NH3+])Cc2ccccc2)nn1 ZINC000641221923 451787705 /nfs/dbraw/zinc/78/77/05/451787705.db2.gz MBKRKPBNUPBHMJ-SJLPKXTDSA-N 2 1 331.464 1.092 20 0 EDADMP CC(C)[C@H](C(=O)NCCC1CC[NH2+]CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000653272017 451807094 /nfs/dbraw/zinc/80/70/94/451807094.db2.gz VLVATRURCSHANX-BFYDXBDKSA-N 2 1 325.497 1.626 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000653354200 451867056 /nfs/dbraw/zinc/86/70/56/451867056.db2.gz QSKSARSKQIMDLD-UHFFFAOYSA-N 2 1 340.512 1.071 20 0 EDADMP C[C@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1CC[NH+](C)CC1 ZINC000642518382 451886404 /nfs/dbraw/zinc/88/64/04/451886404.db2.gz RMWPOXNVEPMIJS-INIZCTEOSA-N 2 1 341.544 1.242 20 0 EDADMP C[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000642518382 451886409 /nfs/dbraw/zinc/88/64/09/451886409.db2.gz RMWPOXNVEPMIJS-INIZCTEOSA-N 2 1 341.544 1.242 20 0 EDADMP Cc1ccc(CC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)nc1 ZINC000651601316 451950417 /nfs/dbraw/zinc/95/04/17/451950417.db2.gz JUXMFWGFHZOCMS-UHFFFAOYSA-N 2 1 326.448 1.264 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000646940407 451955553 /nfs/dbraw/zinc/95/55/53/451955553.db2.gz FNICHNWOWYEGSD-IBGZPJMESA-N 2 1 344.459 1.198 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000646940407 451955555 /nfs/dbraw/zinc/95/55/55/451955555.db2.gz FNICHNWOWYEGSD-IBGZPJMESA-N 2 1 344.459 1.198 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@]2(N)CC[NH+](C)C2)cc1 ZINC000649288269 451962483 /nfs/dbraw/zinc/96/24/83/451962483.db2.gz HBJICGLIEPEVDC-OXJNMPFZSA-N 2 1 344.503 1.710 20 0 EDADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@]2(N)CC[N@H+](C)C2)cc1 ZINC000649288269 451962488 /nfs/dbraw/zinc/96/24/88/451962488.db2.gz HBJICGLIEPEVDC-OXJNMPFZSA-N 2 1 344.503 1.710 20 0 EDADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@]2(N)CC[N@@H+](C)C2)cc1 ZINC000649288269 451962494 /nfs/dbraw/zinc/96/24/94/451962494.db2.gz HBJICGLIEPEVDC-OXJNMPFZSA-N 2 1 344.503 1.710 20 0 EDADMP COCCC1(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000649293138 451969304 /nfs/dbraw/zinc/96/93/04/451969304.db2.gz AHKPDMPGQJGVHI-JKSUJKDBSA-N 2 1 325.497 1.629 20 0 EDADMP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639607847 451971501 /nfs/dbraw/zinc/97/15/01/451971501.db2.gz WPNLHWFKSRTVQT-XSYGEPLQSA-N 2 1 343.471 1.209 20 0 EDADMP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639607847 451971504 /nfs/dbraw/zinc/97/15/04/451971504.db2.gz WPNLHWFKSRTVQT-XSYGEPLQSA-N 2 1 343.471 1.209 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000649308561 451986382 /nfs/dbraw/zinc/98/63/82/451986382.db2.gz OBZLMJCFOIAWTE-OAHLLOKOSA-N 2 1 346.475 1.791 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000649308566 451987085 /nfs/dbraw/zinc/98/70/85/451987085.db2.gz OGGLROUCENQDSK-LJQANCHMSA-N 2 1 346.475 1.920 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000649310484 451988615 /nfs/dbraw/zinc/98/86/15/451988615.db2.gz MJKSCWOKIWDPOJ-JKSUJKDBSA-N 2 1 338.496 1.097 20 0 EDADMP O[C@]1(C[N@@H+]2CC[C@H](n3cccn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639651469 452000221 /nfs/dbraw/zinc/00/02/21/452000221.db2.gz YCBMVGYCHBTYNS-OALUTQOASA-N 2 1 326.444 1.767 20 0 EDADMP O[C@]1(C[N@H+]2CC[C@H](n3cccn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639651469 452000225 /nfs/dbraw/zinc/00/02/25/452000225.db2.gz YCBMVGYCHBTYNS-OALUTQOASA-N 2 1 326.444 1.767 20 0 EDADMP O[C@]1(C[NH+]2CC[C@H](n3cccn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639651469 452000229 /nfs/dbraw/zinc/00/02/29/452000229.db2.gz YCBMVGYCHBTYNS-OALUTQOASA-N 2 1 326.444 1.767 20 0 EDADMP O[C@]1(C[NH+]2CC[C@H](n3cccn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639651469 452000233 /nfs/dbraw/zinc/00/02/33/452000233.db2.gz YCBMVGYCHBTYNS-OALUTQOASA-N 2 1 326.444 1.767 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]2(N)CC[N@@H+](C)C2)CC1 ZINC000649323654 452003962 /nfs/dbraw/zinc/00/39/62/452003962.db2.gz MFOHWDXONRZZAJ-KXBFYZLASA-N 2 1 330.476 1.361 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]2([NH3+])CCN(C)C2)CC1 ZINC000649323654 452003968 /nfs/dbraw/zinc/00/39/68/452003968.db2.gz MFOHWDXONRZZAJ-KXBFYZLASA-N 2 1 330.476 1.361 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000649326551 452006259 /nfs/dbraw/zinc/00/62/59/452006259.db2.gz BNEPLCWXYJLYNO-RUEZSYAVSA-N 2 1 335.492 1.604 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)cnn1C ZINC000649326781 452007052 /nfs/dbraw/zinc/00/70/52/452007052.db2.gz IFYWCFSHOWXIHC-XDNAFOTISA-N 2 1 345.491 1.117 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637668257 452009731 /nfs/dbraw/zinc/00/97/31/452009731.db2.gz YSNJIRXQEZMIDK-WMLDXEAASA-N 2 1 348.495 1.954 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)n1C ZINC000649331641 452012828 /nfs/dbraw/zinc/01/28/28/452012828.db2.gz IOOZSRCKTKJONO-UHFFFAOYSA-N 2 1 341.459 1.424 20 0 EDADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3Cc3ccccn3)C2)C1 ZINC000647035318 452018797 /nfs/dbraw/zinc/01/87/97/452018797.db2.gz ABBDCGZTJDTXDF-IEBWSBKVSA-N 2 1 328.460 1.600 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3Cc3ccccn3)C2)C1 ZINC000647035318 452018806 /nfs/dbraw/zinc/01/88/06/452018806.db2.gz ABBDCGZTJDTXDF-IEBWSBKVSA-N 2 1 328.460 1.600 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C2)C1 ZINC000647035318 452018810 /nfs/dbraw/zinc/01/88/10/452018810.db2.gz ABBDCGZTJDTXDF-IEBWSBKVSA-N 2 1 328.460 1.600 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C2)C1 ZINC000647035318 452018818 /nfs/dbraw/zinc/01/88/18/452018818.db2.gz ABBDCGZTJDTXDF-IEBWSBKVSA-N 2 1 328.460 1.600 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649340382 452021599 /nfs/dbraw/zinc/02/15/99/452021599.db2.gz VEIJTQDUZSDWEC-IREHDKGXSA-N 2 1 329.444 1.143 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649340382 452021601 /nfs/dbraw/zinc/02/16/01/452021601.db2.gz VEIJTQDUZSDWEC-IREHDKGXSA-N 2 1 329.444 1.143 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000649344607 452024564 /nfs/dbraw/zinc/02/45/64/452024564.db2.gz HDBWFPWFMHZHAN-AEFFLSMTSA-N 2 1 331.460 1.345 20 0 EDADMP COC[C@]1(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649343643 452025215 /nfs/dbraw/zinc/02/52/15/452025215.db2.gz MGJJOPPSYMTNSL-SUMDDJOVSA-N 2 1 331.460 1.534 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000643057568 452027679 /nfs/dbraw/zinc/02/76/79/452027679.db2.gz RDHOYZSAMJPVCH-CVEARBPZSA-N 2 1 332.448 1.227 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000643057568 452027684 /nfs/dbraw/zinc/02/76/84/452027684.db2.gz RDHOYZSAMJPVCH-CVEARBPZSA-N 2 1 332.448 1.227 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C[C@@H]21 ZINC000649355852 452039028 /nfs/dbraw/zinc/03/90/28/452039028.db2.gz WTNRIZMJAQHJHM-BZZMCLGOSA-N 2 1 328.460 1.632 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C[C@@H]21 ZINC000649355852 452039034 /nfs/dbraw/zinc/03/90/34/452039034.db2.gz WTNRIZMJAQHJHM-BZZMCLGOSA-N 2 1 328.460 1.632 20 0 EDADMP C[N@@H+](CCN1CCC([NH+]2CCC[C@@H]2C(N)=O)CC1)Cc1ccccc1 ZINC000649393394 452062407 /nfs/dbraw/zinc/06/24/07/452062407.db2.gz GCMYZJHEUCXFKN-LJQANCHMSA-N 2 1 344.503 1.533 20 0 EDADMP C[NH+](CCN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)Cc1ccccc1 ZINC000649393394 452062415 /nfs/dbraw/zinc/06/24/15/452062415.db2.gz GCMYZJHEUCXFKN-LJQANCHMSA-N 2 1 344.503 1.533 20 0 EDADMP C[NH+](CCN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)Cc1ccccc1 ZINC000649393394 452062424 /nfs/dbraw/zinc/06/24/24/452062424.db2.gz GCMYZJHEUCXFKN-LJQANCHMSA-N 2 1 344.503 1.533 20 0 EDADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000643201777 452067176 /nfs/dbraw/zinc/06/71/76/452067176.db2.gz NMYSVSJVMLVKKF-HNNXBMFYSA-N 2 1 332.448 1.971 20 0 EDADMP CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1[NH3+] ZINC000649417099 452079763 /nfs/dbraw/zinc/07/97/63/452079763.db2.gz WUYXFVZYPJFIFZ-QAPCUYQASA-N 2 1 348.466 1.534 20 0 EDADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1[NH3+] ZINC000649417099 452079767 /nfs/dbraw/zinc/07/97/67/452079767.db2.gz WUYXFVZYPJFIFZ-QAPCUYQASA-N 2 1 348.466 1.534 20 0 EDADMP Cn1cc(-c2nc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cs2)cn1 ZINC000649418489 452081564 /nfs/dbraw/zinc/08/15/64/452081564.db2.gz DYYDPBWJVKZEGV-CVEARBPZSA-N 2 1 347.488 1.872 20 0 EDADMP CC[N@@H+]1[C@H](C)CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000639741751 452085954 /nfs/dbraw/zinc/08/59/54/452085954.db2.gz CXLNGZGITCYADJ-SCTDSRPQSA-N 2 1 346.519 1.820 20 0 EDADMP [NH3+]C1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000637797883 452087594 /nfs/dbraw/zinc/08/75/94/452087594.db2.gz GVMLUHWSSDDAMH-UYAOXDASSA-N 2 1 343.471 1.475 20 0 EDADMP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637805187 452092443 /nfs/dbraw/zinc/09/24/43/452092443.db2.gz KNTSHJAPQXSMSX-HBFSDRIKSA-N 2 1 343.471 1.393 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000639761585 452100728 /nfs/dbraw/zinc/10/07/28/452100728.db2.gz NNBZSDUGEIDTQO-KRWDZBQOSA-N 2 1 341.402 1.682 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000639761585 452100732 /nfs/dbraw/zinc/10/07/32/452100732.db2.gz NNBZSDUGEIDTQO-KRWDZBQOSA-N 2 1 341.402 1.682 20 0 EDADMP [NH3+]C1(CC(=O)NC[C@@H]2CCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000637868595 452124689 /nfs/dbraw/zinc/12/46/89/452124689.db2.gz HEQLGFGXFUGRNV-KRWDZBQOSA-N 2 1 331.460 1.665 20 0 EDADMP O=C(CCC1C[NH2+]C1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000637954751 452200675 /nfs/dbraw/zinc/20/06/75/452200675.db2.gz ZYIYWJRYYFFWES-UHFFFAOYSA-N 2 1 337.386 1.099 20 0 EDADMP c1nc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc2c1OCCO2 ZINC000637988429 452231814 /nfs/dbraw/zinc/23/18/14/452231814.db2.gz OYJIKZKFQPSSEV-UHFFFAOYSA-N 2 1 347.459 1.787 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCOC1 ZINC000649755575 452233103 /nfs/dbraw/zinc/23/31/03/452233103.db2.gz RKNORSIKRSVBPF-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1)[C@H]1CCC[NH2+]1 ZINC000647509554 452245918 /nfs/dbraw/zinc/24/59/18/452245918.db2.gz OYNKGDHJSDHAPW-DOTOQJQBSA-N 2 1 341.459 1.415 20 0 EDADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)Cc1ccc2ccccc2c1 ZINC000647517568 452252890 /nfs/dbraw/zinc/25/28/90/452252890.db2.gz XJTPBTZTJKJXLM-UXHICEINSA-N 2 1 328.456 1.790 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000647522251 452257193 /nfs/dbraw/zinc/25/71/93/452257193.db2.gz MHLBENITCIYDLE-PMACEKPBSA-N 2 1 328.456 1.673 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000647522251 452257207 /nfs/dbraw/zinc/25/72/07/452257207.db2.gz MHLBENITCIYDLE-PMACEKPBSA-N 2 1 328.456 1.673 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](CO)Cc1ccccc1 ZINC000647522565 452257896 /nfs/dbraw/zinc/25/78/96/452257896.db2.gz ODWKXIISKLCQNL-PMACEKPBSA-N 2 1 328.456 1.673 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](CO)Cc1ccccc1 ZINC000647522565 452257906 /nfs/dbraw/zinc/25/79/06/452257906.db2.gz ODWKXIISKLCQNL-PMACEKPBSA-N 2 1 328.456 1.673 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000659431143 452276287 /nfs/dbraw/zinc/27/62/87/452276287.db2.gz JVLANDROTUEUCN-GOSISDBHSA-N 2 1 348.491 1.691 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccccc1N1CCCC1=O ZINC000641803061 452277461 /nfs/dbraw/zinc/27/74/61/452277461.db2.gz CRSSYFPPBQDKDS-GJZGRUSLSA-N 2 1 330.432 1.467 20 0 EDADMP CO[C@@]1(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)CCOC1 ZINC000638031771 452280985 /nfs/dbraw/zinc/28/09/85/452280985.db2.gz AHNQNBZUNZFAHI-HXUWFJFHSA-N 2 1 347.503 1.542 20 0 EDADMP CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1OC ZINC000641807129 452286223 /nfs/dbraw/zinc/28/62/23/452286223.db2.gz QSYBNZMJXXTLJG-JCURWCKSSA-N 2 1 349.475 1.987 20 0 EDADMP C[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000659446590 452295110 /nfs/dbraw/zinc/29/51/10/452295110.db2.gz QETQRFWYDMRZKX-XVTSOASTSA-N 2 1 328.460 1.484 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@@H](C)C1 ZINC000659456181 452306935 /nfs/dbraw/zinc/30/69/35/452306935.db2.gz IZLFRJXARVKZAQ-GJZGRUSLSA-N 2 1 328.501 1.502 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659458842 452312476 /nfs/dbraw/zinc/31/24/76/452312476.db2.gz ALJSXYRCKNRDRQ-QGZVFWFLSA-N 2 1 340.512 1.376 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000659460821 452314882 /nfs/dbraw/zinc/31/48/82/452314882.db2.gz UIMQOPLBIONPBC-DZOHQFGASA-N 2 1 330.476 1.914 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652120273 452316874 /nfs/dbraw/zinc/31/68/74/452316874.db2.gz DWXCARHWFPLMIU-MRXNPFEDSA-N 2 1 326.485 1.032 20 0 EDADMP CC(C)(C)n1nnc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000657537470 452321348 /nfs/dbraw/zinc/32/13/48/452321348.db2.gz MDJZHXMNTJZFAT-UHFFFAOYSA-N 2 1 336.484 1.409 20 0 EDADMP C[C@@H](O)[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665760884 452334573 /nfs/dbraw/zinc/33/45/73/452334573.db2.gz REVXUMYSAUTWKP-ARFHVFGLSA-N 2 1 328.501 1.061 20 0 EDADMP C[C@@H](O)[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665760884 452334587 /nfs/dbraw/zinc/33/45/87/452334587.db2.gz REVXUMYSAUTWKP-ARFHVFGLSA-N 2 1 328.501 1.061 20 0 EDADMP C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659480418 452338724 /nfs/dbraw/zinc/33/87/24/452338724.db2.gz LQOPPHIAKSVYOH-FTSJTYPLSA-N 2 1 342.487 1.948 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000665762397 452339049 /nfs/dbraw/zinc/33/90/49/452339049.db2.gz CQNZAMLEYINUPV-ULQDDVLXSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000665762397 452339057 /nfs/dbraw/zinc/33/90/57/452339057.db2.gz CQNZAMLEYINUPV-ULQDDVLXSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC2(C1)CCOCC2 ZINC000665762407 452339482 /nfs/dbraw/zinc/33/94/82/452339482.db2.gz CSFRAJLBQOULJH-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC2(C1)CCOCC2 ZINC000665762407 452339488 /nfs/dbraw/zinc/33/94/88/452339488.db2.gz CSFRAJLBQOULJH-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)[N@@H+](C)C1CC1 ZINC000652147240 452340713 /nfs/dbraw/zinc/34/07/13/452340713.db2.gz NRDLVBSYBRWWER-DLTWYDFYSA-N 2 1 338.496 1.397 20 0 EDADMP [NH3+]C1(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCCC1 ZINC000659481290 452341937 /nfs/dbraw/zinc/34/19/37/452341937.db2.gz XGWNWABQZVPWMM-QGZVFWFLSA-N 2 1 346.475 1.324 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](CO)[C@@H]1C ZINC000665763574 452342969 /nfs/dbraw/zinc/34/29/69/452342969.db2.gz GBUMOMVRMFKDGQ-JYJNAYRXSA-N 2 1 328.501 1.061 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](CO)[C@@H]1C ZINC000665763574 452342977 /nfs/dbraw/zinc/34/29/77/452342977.db2.gz GBUMOMVRMFKDGQ-JYJNAYRXSA-N 2 1 328.501 1.061 20 0 EDADMP CC(C)O[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665763560 452345283 /nfs/dbraw/zinc/34/52/83/452345283.db2.gz FRBGVYHPARNIJW-IRXDYDNUSA-N 2 1 342.528 1.857 20 0 EDADMP CC(C)O[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665763560 452345288 /nfs/dbraw/zinc/34/52/88/452345288.db2.gz FRBGVYHPARNIJW-IRXDYDNUSA-N 2 1 342.528 1.857 20 0 EDADMP CN(C(=O)c1c[nH]nc1C(C)(C)C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000645398443 452371658 /nfs/dbraw/zinc/37/16/58/452371658.db2.gz IFLSMWBRKKTVPC-OAHLLOKOSA-N 2 1 347.507 1.948 20 0 EDADMP CN(C(=O)c1c[nH]nc1C(C)(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645398443 452371674 /nfs/dbraw/zinc/37/16/74/452371674.db2.gz IFLSMWBRKKTVPC-OAHLLOKOSA-N 2 1 347.507 1.948 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000659515132 452380724 /nfs/dbraw/zinc/38/07/24/452380724.db2.gz AWCBMHLTISXBTP-SJORKVTESA-N 2 1 334.464 1.036 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000638071972 452380824 /nfs/dbraw/zinc/38/08/24/452380824.db2.gz JFBODRHDKURKQR-DZJNRPSUSA-N 2 1 331.460 1.662 20 0 EDADMP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000652224962 452416681 /nfs/dbraw/zinc/41/66/81/452416681.db2.gz MGRFYIMXQJXISB-QGZVFWFLSA-N 2 1 333.480 1.715 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000652224962 452416686 /nfs/dbraw/zinc/41/66/86/452416686.db2.gz MGRFYIMXQJXISB-QGZVFWFLSA-N 2 1 333.480 1.715 20 0 EDADMP CC[N@@H+](CCCNC(=O)NC[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000652224041 452417112 /nfs/dbraw/zinc/41/71/12/452417112.db2.gz RTUNZCNGWQNEOG-QGZVFWFLSA-N 2 1 340.512 1.709 20 0 EDADMP Cc1cn2ccc(NC(=O)C(=O)NC[C@H]3CCC[N@H+](C)C3)cc2n1 ZINC000657650469 452418802 /nfs/dbraw/zinc/41/88/02/452418802.db2.gz CJHBNPOHYJVUFU-CYBMUJFWSA-N 2 1 329.404 1.039 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCC2(C[NH3+])CC2)C[C@@H](C)O1 ZINC000652242045 452428823 /nfs/dbraw/zinc/42/88/23/452428823.db2.gz PNUZCSHZXPVPNZ-OAGGEKHMSA-N 2 1 338.496 1.399 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000659621605 452478449 /nfs/dbraw/zinc/47/84/49/452478449.db2.gz HNKABJTWDZEZCF-OAHLLOKOSA-N 2 1 327.517 1.075 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(S(=O)(=O)NC4CC4)cc3)C[C@@H]21 ZINC000652340426 452509582 /nfs/dbraw/zinc/50/95/82/452509582.db2.gz UHZFIJBEXUJCEV-FHLIZLRMSA-N 2 1 349.500 1.687 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)Nc3cccc(F)c3)C2)C1 ZINC000652345886 452519980 /nfs/dbraw/zinc/51/99/80/452519980.db2.gz OLYQRXCKHYJXJV-YSVLISHTSA-N 2 1 335.423 1.983 20 0 EDADMP COc1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652346024 452520031 /nfs/dbraw/zinc/52/00/31/452520031.db2.gz RMHGNTGBLLGKMC-DAYGRLMNSA-N 2 1 347.459 1.852 20 0 EDADMP CN1CCN(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)CC1 ZINC000647783730 452520083 /nfs/dbraw/zinc/52/00/83/452520083.db2.gz AYXKZVVXXNNBCD-BURNTYAHSA-N 2 1 342.531 1.953 20 0 EDADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786524 452523144 /nfs/dbraw/zinc/52/31/44/452523144.db2.gz RASUIOOLMXELKJ-VAMGGRTRSA-N 3 1 329.488 1.997 20 0 EDADMP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000652356527 452534347 /nfs/dbraw/zinc/53/43/47/452534347.db2.gz PHRIYUKPCHDUHU-ZTFGCOKTSA-N 2 1 331.460 1.255 20 0 EDADMP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000652356527 452534352 /nfs/dbraw/zinc/53/43/52/452534352.db2.gz PHRIYUKPCHDUHU-ZTFGCOKTSA-N 2 1 331.460 1.255 20 0 EDADMP Cc1cc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)no1 ZINC000652361643 452541768 /nfs/dbraw/zinc/54/17/68/452541768.db2.gz LMJPEWSSGDDWDW-RRFJBIMHSA-N 2 1 336.436 1.094 20 0 EDADMP O=C(NCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccs1 ZINC000655730149 452542255 /nfs/dbraw/zinc/54/22/55/452542255.db2.gz MWDULMUDYWJNHI-HNNXBMFYSA-N 2 1 337.489 1.711 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)N2CCc3ccccc32)C1 ZINC000652360298 452542599 /nfs/dbraw/zinc/54/25/99/452542599.db2.gz DUHONTFYACXLOH-QRQLOZEOSA-N 2 1 343.471 1.937 20 0 EDADMP CCC[C@@H](NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647834918 452570353 /nfs/dbraw/zinc/57/03/53/452570353.db2.gz FDZWVZYVJWULSK-GOSISDBHSA-N 2 1 332.492 1.481 20 0 EDADMP CCC[C@@H](NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647834918 452570365 /nfs/dbraw/zinc/57/03/65/452570365.db2.gz FDZWVZYVJWULSK-GOSISDBHSA-N 2 1 332.492 1.481 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000647836185 452574313 /nfs/dbraw/zinc/57/43/13/452574313.db2.gz JMZIZGUWBDEMDZ-KRWDZBQOSA-N 2 1 334.439 1.158 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000647836185 452574319 /nfs/dbraw/zinc/57/43/19/452574319.db2.gz JMZIZGUWBDEMDZ-KRWDZBQOSA-N 2 1 334.439 1.158 20 0 EDADMP Cc1cnc(CC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c(C)c1 ZINC000655829464 452600324 /nfs/dbraw/zinc/60/03/24/452600324.db2.gz MPOOPMMGZWOZMX-UHFFFAOYSA-N 2 1 340.475 1.573 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(nnn3C)C2)[C@@H](C)C1 ZINC000655829972 452602142 /nfs/dbraw/zinc/60/21/42/452602142.db2.gz SUCWWYLTDGEHGP-XHSDSOJGSA-N 2 1 335.496 1.399 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663889085 452614099 /nfs/dbraw/zinc/61/40/99/452614099.db2.gz ZYOKEFBEWUDRJI-PBHICJAKSA-N 2 1 349.479 1.380 20 0 EDADMP C[N@@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC000647881159 452617971 /nfs/dbraw/zinc/61/79/71/452617971.db2.gz IKGYEFZLHJVHGN-CHWSQXEVSA-N 2 1 332.366 1.986 20 0 EDADMP C[N@@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC000647881160 452618910 /nfs/dbraw/zinc/61/89/10/452618910.db2.gz IKGYEFZLHJVHGN-OLZOCXBDSA-N 2 1 332.366 1.986 20 0 EDADMP Cc1noc([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000663917118 452642938 /nfs/dbraw/zinc/64/29/38/452642938.db2.gz BHROKLYGJHGOEJ-RYUDHWBXSA-N 2 1 326.445 1.010 20 0 EDADMP Cc1noc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000663917118 452642944 /nfs/dbraw/zinc/64/29/44/452642944.db2.gz BHROKLYGJHGOEJ-RYUDHWBXSA-N 2 1 326.445 1.010 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655920002 452680821 /nfs/dbraw/zinc/68/08/21/452680821.db2.gz RNEZTPBZAFZRIA-ZIAGYGMSSA-N 2 1 344.381 1.792 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655924872 452691328 /nfs/dbraw/zinc/69/13/28/452691328.db2.gz SCXBPUBKZFRGER-BNOWGMLFSA-N 2 1 344.381 1.696 20 0 EDADMP C[C@@H]1C[NH+](CCN2CC[NH+](CCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000659820849 452708918 /nfs/dbraw/zinc/70/89/18/452708918.db2.gz VJPQMCCRQGXWJP-RTBURBONSA-N 2 1 331.504 1.956 20 0 EDADMP O=c1n2ccccc2nn1CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978589 452724143 /nfs/dbraw/zinc/72/41/43/452724143.db2.gz VFQSNEZHADQDSG-HOTGVXAUSA-N 2 1 329.448 1.208 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978556 452724324 /nfs/dbraw/zinc/72/43/24/452724324.db2.gz UWCGNRXLHQZQFM-CVEARBPZSA-N 2 1 348.491 1.563 20 0 EDADMP [NH3+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655958753 452739991 /nfs/dbraw/zinc/73/99/91/452739991.db2.gz OPFWBZFGXITVKT-CVEARBPZSA-N 2 1 330.432 1.217 20 0 EDADMP C[C@@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655965322 452746173 /nfs/dbraw/zinc/74/61/73/452746173.db2.gz BJPWMHYZIYVKSB-SOUVJXGZSA-N 2 1 346.475 1.587 20 0 EDADMP CC(=O)NC1CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000658135314 452746828 /nfs/dbraw/zinc/74/68/28/452746828.db2.gz DDVDFXJNDQTDES-MHJFOBGBSA-N 2 1 345.487 1.790 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970557 452752273 /nfs/dbraw/zinc/75/22/73/452752273.db2.gz HYOBJZYHNBYLHG-DGXTUMSLSA-N 2 1 326.485 1.110 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970557 452752281 /nfs/dbraw/zinc/75/22/81/452752281.db2.gz HYOBJZYHNBYLHG-DGXTUMSLSA-N 2 1 326.485 1.110 20 0 EDADMP CC(C)Cn1nccc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000648038066 452772354 /nfs/dbraw/zinc/77/23/54/452772354.db2.gz MDSYHDWOZVAYCU-UHFFFAOYSA-N 2 1 335.496 1.621 20 0 EDADMP CC(C)(C)N1C[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1=O ZINC000658293408 452833730 /nfs/dbraw/zinc/83/37/30/452833730.db2.gz ACJAACZWSGEDDE-NVXWUHKLSA-N 2 1 337.508 1.866 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000648128509 452842133 /nfs/dbraw/zinc/84/21/33/452842133.db2.gz WOBLFJJWKJBUFZ-HUUCEWRRSA-N 2 1 349.479 1.243 20 0 EDADMP CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C1CCCCC1 ZINC000652694651 452842265 /nfs/dbraw/zinc/84/22/65/452842265.db2.gz DBALXSTWCNBGHE-MRXNPFEDSA-N 2 1 338.496 1.001 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)cc1 ZINC000648149636 452860110 /nfs/dbraw/zinc/86/01/10/452860110.db2.gz YJUQXJGZMYOXRA-NXHRZFHOSA-N 2 1 329.444 1.480 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)cc1 ZINC000648149636 452860116 /nfs/dbraw/zinc/86/01/16/452860116.db2.gz YJUQXJGZMYOXRA-NXHRZFHOSA-N 2 1 329.444 1.480 20 0 EDADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)Nc1cccc(F)c1 ZINC000662159360 452899117 /nfs/dbraw/zinc/89/91/17/452899117.db2.gz YRHRCYQXGIZHKP-QGZVFWFLSA-N 2 1 335.423 1.685 20 0 EDADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)Nc1cccc(F)c1 ZINC000662159360 452899122 /nfs/dbraw/zinc/89/91/22/452899122.db2.gz YRHRCYQXGIZHKP-QGZVFWFLSA-N 2 1 335.423 1.685 20 0 EDADMP CC[N@H+](CCOc1ccccc1OC)CCC(=O)N1CC[NH+](C)CC1 ZINC000662203094 452928264 /nfs/dbraw/zinc/92/82/64/452928264.db2.gz ASLBARVVGONZQE-UHFFFAOYSA-N 2 1 349.475 1.560 20 0 EDADMP CC[N@@H+](CCOc1ccccc1OC)CCC(=O)N1CC[NH+](C)CC1 ZINC000662203094 452928271 /nfs/dbraw/zinc/92/82/71/452928271.db2.gz ASLBARVVGONZQE-UHFFFAOYSA-N 2 1 349.475 1.560 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cnc(N4CCCC4)nc3)C2)C1 ZINC000650706683 452945741 /nfs/dbraw/zinc/94/57/41/452945741.db2.gz QHXCSFWSTRHOMS-KURKYZTESA-N 2 1 345.491 1.795 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000660075989 452991621 /nfs/dbraw/zinc/99/16/21/452991621.db2.gz DQEDALFADMAGOV-AWEZNQCLSA-N 2 1 334.445 1.697 20 0 EDADMP COc1ccnc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1OC ZINC000662282786 453006845 /nfs/dbraw/zinc/00/68/45/453006845.db2.gz WJICZTGHKCEUIJ-RHSMWYFYSA-N 2 1 335.448 1.817 20 0 EDADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666650269 453036910 /nfs/dbraw/zinc/03/69/10/453036910.db2.gz BMKXMHOTFLPVEP-AEFFLSMTSA-N 2 1 344.503 1.914 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000650831369 453037254 /nfs/dbraw/zinc/03/72/54/453037254.db2.gz BAFQSDSSDLWABM-MRXNPFEDSA-N 2 1 325.497 1.820 20 0 EDADMP COCC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000650831369 453037259 /nfs/dbraw/zinc/03/72/59/453037259.db2.gz BAFQSDSSDLWABM-MRXNPFEDSA-N 2 1 325.497 1.820 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666663952 453049501 /nfs/dbraw/zinc/04/95/01/453049501.db2.gz UZMMECCBPKDPSS-RHSMWYFYSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)OCCC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338280 453057311 /nfs/dbraw/zinc/05/73/11/453057311.db2.gz PVYRYTOGSDDBCI-MRXNPFEDSA-N 2 1 335.496 1.814 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC[N@H+](C2CCC2)C1 ZINC000644165787 453095426 /nfs/dbraw/zinc/09/54/26/453095426.db2.gz SJIMBGLAKNVIJV-NVXWUHKLSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC[NH+](C2CCC2)C1 ZINC000644165787 453095434 /nfs/dbraw/zinc/09/54/34/453095434.db2.gz SJIMBGLAKNVIJV-NVXWUHKLSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC[NH+](C2CCC2)C1 ZINC000644165787 453095439 /nfs/dbraw/zinc/09/54/39/453095439.db2.gz SJIMBGLAKNVIJV-NVXWUHKLSA-N 2 1 334.508 1.987 20 0 EDADMP CO[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000660164435 453096447 /nfs/dbraw/zinc/09/64/47/453096447.db2.gz JDQHUKLIHBFNFT-SFHVURJKSA-N 2 1 340.508 1.741 20 0 EDADMP C[C@H](CNC(=O)c1cc(C2CC[NH2+]CC2)no1)[N@H+]1CCC[C@@H](C)C1 ZINC000662386684 453096738 /nfs/dbraw/zinc/09/67/38/453096738.db2.gz DPWCVTRQIIVVGQ-ZIAGYGMSSA-N 2 1 334.464 1.992 20 0 EDADMP O=C(NCCCCC[NH+]1CCCCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650896674 453098752 /nfs/dbraw/zinc/09/87/52/453098752.db2.gz DKVLENUJIVAYJB-QGZVFWFLSA-N 2 1 338.496 1.103 20 0 EDADMP O=C(NCCCCC[NH+]1CCCCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650896674 453098757 /nfs/dbraw/zinc/09/87/57/453098757.db2.gz DKVLENUJIVAYJB-QGZVFWFLSA-N 2 1 338.496 1.103 20 0 EDADMP [NH3+]CC1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662394332 453105003 /nfs/dbraw/zinc/10/50/03/453105003.db2.gz FBWDHILHWCVREI-UHFFFAOYSA-N 2 1 344.278 1.925 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000662419449 453128057 /nfs/dbraw/zinc/12/80/57/453128057.db2.gz IHKKJPDZDKSPEI-MSOLQXFVSA-N 2 1 333.476 1.767 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)CCO1 ZINC000662430644 453139520 /nfs/dbraw/zinc/13/95/20/453139520.db2.gz AGGPYBZRMXKFOF-ZWKOPEQDSA-N 2 1 342.237 1.024 20 0 EDADMP [NH3+][C@H](c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)[C@H]1CCCO1 ZINC000656455285 453197632 /nfs/dbraw/zinc/19/76/32/453197632.db2.gz BRBVPBNINIYBKN-CGTJXYLNSA-N 2 1 327.432 1.904 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000662486017 453201951 /nfs/dbraw/zinc/20/19/51/453201951.db2.gz UUTZZKHCTGQYTE-IRXDYDNUSA-N 2 1 325.497 1.711 20 0 EDADMP CO[C@H](C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000660333538 453223628 /nfs/dbraw/zinc/22/36/28/453223628.db2.gz CTEWJVMWVAXGIP-ZCNNSNEGSA-N 2 1 348.487 1.607 20 0 EDADMP CO[C@H](C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000660333538 453223635 /nfs/dbraw/zinc/22/36/35/453223635.db2.gz CTEWJVMWVAXGIP-ZCNNSNEGSA-N 2 1 348.487 1.607 20 0 EDADMP CO[C@H](C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000660333538 453223646 /nfs/dbraw/zinc/22/36/46/453223646.db2.gz CTEWJVMWVAXGIP-ZCNNSNEGSA-N 2 1 348.487 1.607 20 0 EDADMP CO[C@H](C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000660333538 453223654 /nfs/dbraw/zinc/22/36/54/453223654.db2.gz CTEWJVMWVAXGIP-ZCNNSNEGSA-N 2 1 348.487 1.607 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)CC[N@@H+]1C ZINC000648746264 453229320 /nfs/dbraw/zinc/22/93/20/453229320.db2.gz RFRKKQYWMDOAOP-XYPHTWIQSA-N 2 1 344.459 1.415 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)CC[N@H+]1C ZINC000648746264 453229329 /nfs/dbraw/zinc/22/93/29/453229329.db2.gz RFRKKQYWMDOAOP-XYPHTWIQSA-N 2 1 344.459 1.415 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC[NH+]1C ZINC000648746264 453229336 /nfs/dbraw/zinc/22/93/36/453229336.db2.gz RFRKKQYWMDOAOP-XYPHTWIQSA-N 2 1 344.459 1.415 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC[NH+]1C ZINC000648746264 453229346 /nfs/dbraw/zinc/22/93/46/453229346.db2.gz RFRKKQYWMDOAOP-XYPHTWIQSA-N 2 1 344.459 1.415 20 0 EDADMP [NH3+][C@@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Br ZINC000662556281 453285695 /nfs/dbraw/zinc/28/56/95/453285695.db2.gz OJOJJBNIWKBQGT-GIPNMCIBSA-N 2 1 326.238 1.835 20 0 EDADMP C[NH2+][C@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)c1cccc(Cl)c1Cl ZINC000662576233 453303078 /nfs/dbraw/zinc/30/30/78/453303078.db2.gz UPSZYTJBLOBKKN-HZMBPMFUSA-N 2 1 346.258 1.830 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[N@H+]1Cc1ccccc1 ZINC000653122339 453313258 /nfs/dbraw/zinc/31/32/58/453313258.db2.gz UFWUDDOHOLGGGD-WMEZAQDKSA-N 2 1 329.444 1.002 20 0 EDADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000653124686 453317498 /nfs/dbraw/zinc/31/74/98/453317498.db2.gz DTGFWQWRPXNYCQ-QGZVFWFLSA-N 2 1 330.476 1.315 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1)[NH+]1CCCCCC1 ZINC000646321715 453318130 /nfs/dbraw/zinc/31/81/30/453318130.db2.gz OTHQLSSEPPLOQL-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000651190997 453340642 /nfs/dbraw/zinc/34/06/42/453340642.db2.gz ISXDLURBRYPVNP-UHFFFAOYSA-N 2 1 333.480 1.891 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000648871510 453347796 /nfs/dbraw/zinc/34/77/96/453347796.db2.gz RHGHWGUPVNLMJE-CABCVRRESA-N 2 1 336.480 1.700 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000648871510 453347800 /nfs/dbraw/zinc/34/78/00/453347800.db2.gz RHGHWGUPVNLMJE-CABCVRRESA-N 2 1 336.480 1.700 20 0 EDADMP COC[C@@H](C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)OC ZINC000660538188 453384662 /nfs/dbraw/zinc/38/46/62/453384662.db2.gz NFDDDNGDKRWSRG-VQTJNVASSA-N 2 1 347.503 1.540 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662700813 453422091 /nfs/dbraw/zinc/42/20/91/453422091.db2.gz LMEBPXIYHYYUBE-HOTGVXAUSA-N 2 1 348.495 1.443 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000664815967 453423044 /nfs/dbraw/zinc/42/30/44/453423044.db2.gz YNGBAEPBQSWZQV-UHFFFAOYSA-N 2 1 341.544 1.432 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000662737812 453463232 /nfs/dbraw/zinc/46/32/32/453463232.db2.gz CSBBKVDNYUEKCG-ZOBUZTSGSA-N 2 1 344.459 1.529 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)CC3([NH3+])CC3)C2)cc(OC)c1 ZINC000662750462 453483290 /nfs/dbraw/zinc/48/32/90/453483290.db2.gz SJEVTHDOVVMDFN-AWEZNQCLSA-N 2 1 333.432 1.276 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)CC3([NH3+])CC3)C2)cc(OC)c1 ZINC000662750462 453483294 /nfs/dbraw/zinc/48/32/94/453483294.db2.gz SJEVTHDOVVMDFN-AWEZNQCLSA-N 2 1 333.432 1.276 20 0 EDADMP CC(C)C[NH2+]C1(CO)CCN(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000660696645 453521278 /nfs/dbraw/zinc/52/12/78/453521278.db2.gz TXTLTTXBBQDXAT-CALCHBBNSA-N 2 1 327.513 1.168 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660702132 453526483 /nfs/dbraw/zinc/52/64/83/453526483.db2.gz GFQJJDQXKWPDKS-IRXDYDNUSA-N 2 1 336.480 1.023 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662810817 453544461 /nfs/dbraw/zinc/54/44/61/453544461.db2.gz TZBZIMMYEJFZEV-CQSZACIVSA-N 2 1 345.369 1.047 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662822262 453551998 /nfs/dbraw/zinc/55/19/98/453551998.db2.gz LREAJPQOUCSPCY-HNNXBMFYSA-N 2 1 334.468 1.149 20 0 EDADMP Cc1c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)nnn1C1CC[NH2+]CC1 ZINC000662838720 453563653 /nfs/dbraw/zinc/56/36/53/453563653.db2.gz NXEFTPRJBDXUOD-HZPDHXFCSA-N 2 1 346.479 1.258 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000660827847 453591511 /nfs/dbraw/zinc/59/15/11/453591511.db2.gz UCMBTBDFCCRKAZ-IAGOWNOFSA-N 2 1 334.508 1.892 20 0 EDADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660827847 453591517 /nfs/dbraw/zinc/59/15/17/453591517.db2.gz UCMBTBDFCCRKAZ-IAGOWNOFSA-N 2 1 334.508 1.892 20 0 EDADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660827847 453591521 /nfs/dbraw/zinc/59/15/21/453591521.db2.gz UCMBTBDFCCRKAZ-IAGOWNOFSA-N 2 1 334.508 1.892 20 0 EDADMP CN(C(=O)C[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899866 453593201 /nfs/dbraw/zinc/59/32/01/453593201.db2.gz HJMCPVLGCGUXQZ-MOPGFXCFSA-N 2 1 344.503 1.703 20 0 EDADMP CN(C(=O)C[C@H]([NH3+])c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899866 453593206 /nfs/dbraw/zinc/59/32/06/453593206.db2.gz HJMCPVLGCGUXQZ-MOPGFXCFSA-N 2 1 344.503 1.703 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000660829808 453593480 /nfs/dbraw/zinc/59/34/80/453593480.db2.gz JLLVDZPZBIZHDM-JKSUJKDBSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000660829808 453593486 /nfs/dbraw/zinc/59/34/86/453593486.db2.gz JLLVDZPZBIZHDM-JKSUJKDBSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000660829808 453593491 /nfs/dbraw/zinc/59/34/91/453593491.db2.gz JLLVDZPZBIZHDM-JKSUJKDBSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659038600 453593603 /nfs/dbraw/zinc/59/36/03/453593603.db2.gz TVOJDLRRQSRLDX-CPUCHLNUSA-N 2 1 332.448 1.904 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](OC)[C@H]3CCOC3)CC2)CC1 ZINC000660834570 453597456 /nfs/dbraw/zinc/59/74/56/453597456.db2.gz ORXDTRSANAVKRF-HKUYNNGSSA-N 2 1 339.524 1.530 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662939415 453615025 /nfs/dbraw/zinc/61/50/25/453615025.db2.gz FWUKDBLDCMUYTH-NXHRZFHOSA-N 2 1 332.492 1.292 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662939415 453615029 /nfs/dbraw/zinc/61/50/29/453615029.db2.gz FWUKDBLDCMUYTH-NXHRZFHOSA-N 2 1 332.492 1.292 20 0 EDADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290817 453637303 /nfs/dbraw/zinc/63/73/03/453637303.db2.gz LMXOMAAEMVDHQT-SNVBAGLBSA-N 2 1 333.367 1.287 20 0 EDADMP C[C@@H]1C[C@@H](NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000665291406 453638146 /nfs/dbraw/zinc/63/81/46/453638146.db2.gz BFCABIXRXWIGPF-ZBFHGGJFSA-N 2 1 341.459 1.784 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000665290846 453638272 /nfs/dbraw/zinc/63/82/72/453638272.db2.gz MNODMQNJUMISEZ-DZGCQCFKSA-N 2 1 327.432 1.566 20 0 EDADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005655 453644091 /nfs/dbraw/zinc/64/40/91/453644091.db2.gz XFVJBZZXNPEJLX-LJCCNALRSA-N 2 1 349.519 1.757 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659280523 453698029 /nfs/dbraw/zinc/69/80/29/453698029.db2.gz IHMNINLTJYAFBD-MSOLQXFVSA-N 2 1 333.476 1.719 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000665554530 453746198 /nfs/dbraw/zinc/74/61/98/453746198.db2.gz NFDYXVSXGNDONV-LSDHHAIUSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+]1CC(C)(C)O ZINC000665554530 453746201 /nfs/dbraw/zinc/74/62/01/453746201.db2.gz NFDYXVSXGNDONV-LSDHHAIUSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+]1CC(C)(C)O ZINC000665554530 453746204 /nfs/dbraw/zinc/74/62/04/453746204.db2.gz NFDYXVSXGNDONV-LSDHHAIUSA-N 2 1 340.512 1.346 20 0 EDADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cnn3c2CCC3)c2cccs2)CC1 ZINC000657286022 453758180 /nfs/dbraw/zinc/75/81/80/453758180.db2.gz LUARMFPZBGDBMP-KRWDZBQOSA-N 2 1 345.516 1.969 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000663362676 453779311 /nfs/dbraw/zinc/77/93/11/453779311.db2.gz AWCRURUNXNIVKM-MSOLQXFVSA-N 2 1 334.460 1.578 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000661316906 453791060 /nfs/dbraw/zinc/79/10/60/453791060.db2.gz YMOICXRHUNJWIG-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP COCC[NH+](CCOC)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000672256759 486675990 /nfs/dbraw/zinc/67/59/90/486675990.db2.gz WNEMWLDNZCTJHR-QGZVFWFLSA-N 2 1 341.496 1.057 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676246660 486706859 /nfs/dbraw/zinc/70/68/59/486706859.db2.gz YJTIWVBFFMIFLK-NNXHMXCWSA-N 2 1 340.512 1.371 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676246660 486706862 /nfs/dbraw/zinc/70/68/62/486706862.db2.gz YJTIWVBFFMIFLK-NNXHMXCWSA-N 2 1 340.512 1.371 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676246660 486706865 /nfs/dbraw/zinc/70/68/65/486706865.db2.gz YJTIWVBFFMIFLK-NNXHMXCWSA-N 2 1 340.512 1.371 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246660 486706868 /nfs/dbraw/zinc/70/68/68/486706868.db2.gz YJTIWVBFFMIFLK-NNXHMXCWSA-N 2 1 340.512 1.371 20 0 EDADMP C[NH+](C)CCCOC1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676311961 486733050 /nfs/dbraw/zinc/73/30/50/486733050.db2.gz SYNMPLQWQFSFAD-UHFFFAOYSA-N 2 1 349.479 1.250 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000417669624 486868037 /nfs/dbraw/zinc/86/80/37/486868037.db2.gz MFFIAROWOGRURW-NXOAAHMSSA-N 2 1 340.512 1.693 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCn3cncc3C2)CC1 ZINC000676841576 486899101 /nfs/dbraw/zinc/89/91/01/486899101.db2.gz KGPXHCATKGVXMA-AWEZNQCLSA-N 2 1 340.431 1.231 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000431022398 486902748 /nfs/dbraw/zinc/90/27/48/486902748.db2.gz CXGWVINLVAEICM-NXHRZFHOSA-N 2 1 330.476 1.441 20 0 EDADMP C[N@@H+](CCNC(=O)Nc1cnc2c(c1)C[NH2+]CC2)Cc1ccccc1 ZINC000667793582 486967434 /nfs/dbraw/zinc/96/74/34/486967434.db2.gz FVRAYWRYQFCYHK-UHFFFAOYSA-N 2 1 339.443 1.981 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000677303447 487037413 /nfs/dbraw/zinc/03/74/13/487037413.db2.gz DJTWSDMXPSTVDL-RDJZCZTQSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+]1CCC([C@@H]2CCN(c3nc(N4CCOCC4)cc[nH+]3)C2)CC1 ZINC000677308903 487039894 /nfs/dbraw/zinc/03/98/94/487039894.db2.gz TYHNYJOPNGAKHI-MRXNPFEDSA-N 2 1 331.464 1.481 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1nn(C)cc1C ZINC000668216161 487146180 /nfs/dbraw/zinc/14/61/80/487146180.db2.gz VPLXQIAJAMNTCR-OAHLLOKOSA-N 2 1 336.484 1.608 20 0 EDADMP C[NH+](C)C[C@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)c2ccccc2O1 ZINC000678048351 487234087 /nfs/dbraw/zinc/23/40/87/487234087.db2.gz ODVUASXQJPWRKL-GJZGRUSLSA-N 2 1 349.500 1.780 20 0 EDADMP C[NH+](C)C[C@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)c2ccccc2O1 ZINC000678048351 487234090 /nfs/dbraw/zinc/23/40/90/487234090.db2.gz ODVUASXQJPWRKL-GJZGRUSLSA-N 2 1 349.500 1.780 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000675536498 487419629 /nfs/dbraw/zinc/41/96/29/487419629.db2.gz ONPNJEPUPZHPMC-MRXNPFEDSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669528944 485503909 /nfs/dbraw/zinc/50/39/09/485503909.db2.gz VICJIQMCGCKGHS-CBZIJGRNSA-N 2 1 334.508 1.890 20 0 EDADMP C[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000669556930 485560313 /nfs/dbraw/zinc/56/03/13/485560313.db2.gz OJAVPKFXEAHNGO-DZOHQFGASA-N 2 1 330.476 1.934 20 0 EDADMP C[C@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000530576365 485561404 /nfs/dbraw/zinc/56/14/04/485561404.db2.gz RIBFRNXVSNWPEU-DNVCBOLYSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@H](CNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000530576365 485561409 /nfs/dbraw/zinc/56/14/09/485561409.db2.gz RIBFRNXVSNWPEU-DNVCBOLYSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@H](CNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000530576365 485561417 /nfs/dbraw/zinc/56/14/17/485561417.db2.gz RIBFRNXVSNWPEU-DNVCBOLYSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCCO1 ZINC000669570896 485592138 /nfs/dbraw/zinc/59/21/38/485592138.db2.gz JKPMWFPXXDGRMT-YESZJQIVSA-N 2 1 338.496 1.128 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000514586174 485643413 /nfs/dbraw/zinc/64/34/13/485643413.db2.gz OXWNRJYYWAMMAL-KRWDZBQOSA-N 2 1 345.491 1.954 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NCC[C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000514586174 485643423 /nfs/dbraw/zinc/64/34/23/485643423.db2.gz OXWNRJYYWAMMAL-KRWDZBQOSA-N 2 1 345.491 1.954 20 0 EDADMP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000669132590 485719141 /nfs/dbraw/zinc/71/91/41/485719141.db2.gz JFCFODYBCOPKIV-CVEARBPZSA-N 2 1 348.495 1.366 20 0 EDADMP CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[NH+](CC)CC1 ZINC000669132590 485719148 /nfs/dbraw/zinc/71/91/48/485719148.db2.gz JFCFODYBCOPKIV-CVEARBPZSA-N 2 1 348.495 1.366 20 0 EDADMP CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCC[NH+](CC)CC1 ZINC000669132590 485719152 /nfs/dbraw/zinc/71/91/52/485719152.db2.gz JFCFODYBCOPKIV-CVEARBPZSA-N 2 1 348.495 1.366 20 0 EDADMP CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000669131907 485719667 /nfs/dbraw/zinc/71/96/67/485719667.db2.gz XSSJTCNEZVYPNV-CVEARBPZSA-N 2 1 348.495 1.364 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000345423811 485975144 /nfs/dbraw/zinc/97/51/44/485975144.db2.gz FEQDMIKPCFLKLG-SJORKVTESA-N 2 1 325.497 1.581 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)[C@@H](C)C1 ZINC000430798159 486084656 /nfs/dbraw/zinc/08/46/56/486084656.db2.gz SCFLUCLZZAPFTG-XJKSGUPXSA-N 2 1 334.468 1.005 20 0 EDADMP COCC[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451532238 486289500 /nfs/dbraw/zinc/28/95/00/486289500.db2.gz KMUNBNDMLFQBEV-WMZOPIPTSA-N 2 1 325.497 1.678 20 0 EDADMP COCC[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451532238 486289507 /nfs/dbraw/zinc/28/95/07/486289507.db2.gz KMUNBNDMLFQBEV-WMZOPIPTSA-N 2 1 325.497 1.678 20 0 EDADMP COCC[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451532238 486289514 /nfs/dbraw/zinc/28/95/14/486289514.db2.gz KMUNBNDMLFQBEV-WMZOPIPTSA-N 2 1 325.497 1.678 20 0 EDADMP COCC[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451532238 486289517 /nfs/dbraw/zinc/28/95/17/486289517.db2.gz KMUNBNDMLFQBEV-WMZOPIPTSA-N 2 1 325.497 1.678 20 0 EDADMP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000669930931 486516642 /nfs/dbraw/zinc/51/66/42/486516642.db2.gz PVODUWKZNIUWOY-SFHVURJKSA-N 2 1 344.503 1.881 20 0 EDADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000669930931 486516646 /nfs/dbraw/zinc/51/66/46/486516646.db2.gz PVODUWKZNIUWOY-SFHVURJKSA-N 2 1 344.503 1.881 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000090581847 491199231 /nfs/dbraw/zinc/19/92/31/491199231.db2.gz UYZMRSQJDRBYDW-UONOGXRCSA-N 2 1 343.518 1.551 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000090581847 491199233 /nfs/dbraw/zinc/19/92/33/491199233.db2.gz UYZMRSQJDRBYDW-UONOGXRCSA-N 2 1 343.518 1.551 20 0 EDADMP C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000133723219 491222359 /nfs/dbraw/zinc/22/23/59/491222359.db2.gz BWDWTCUIRLGPGD-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000133723219 491222361 /nfs/dbraw/zinc/22/23/61/491222361.db2.gz BWDWTCUIRLGPGD-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@H+](CCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C)C1CC1 ZINC000683376403 491012822 /nfs/dbraw/zinc/01/28/22/491012822.db2.gz BKJALEFJLGDIJM-UHFFFAOYSA-N 2 1 330.436 1.437 20 0 EDADMP CC[N@@H+](CCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C)C1CC1 ZINC000683376403 491012823 /nfs/dbraw/zinc/01/28/23/491012823.db2.gz BKJALEFJLGDIJM-UHFFFAOYSA-N 2 1 330.436 1.437 20 0 EDADMP COC1CC[NH+](CCNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000080000219 491170115 /nfs/dbraw/zinc/17/01/15/491170115.db2.gz OLOBUAFEGZGUPQ-INIZCTEOSA-N 2 1 345.487 1.660 20 0 EDADMP COC1CC[NH+](CCNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000080000219 491170116 /nfs/dbraw/zinc/17/01/16/491170116.db2.gz OLOBUAFEGZGUPQ-INIZCTEOSA-N 2 1 345.487 1.660 20 0 EDADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000177046533 527733370 /nfs/dbraw/zinc/73/33/70/527733370.db2.gz DZUDNPXFTXDIQS-UHFFFAOYSA-N 2 1 338.374 1.227 20 0 EDADMP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000173966917 528257361 /nfs/dbraw/zinc/25/73/61/528257361.db2.gz PLEMZSALYKHINT-LJQANCHMSA-N 2 1 345.487 1.865 20 0 EDADMP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000173966917 528257366 /nfs/dbraw/zinc/25/73/66/528257366.db2.gz PLEMZSALYKHINT-LJQANCHMSA-N 2 1 345.487 1.865 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000166126957 528550596 /nfs/dbraw/zinc/55/05/96/528550596.db2.gz PFEIZLFMJCSCDW-YJBOKZPZSA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000166126957 528550604 /nfs/dbraw/zinc/55/06/04/528550604.db2.gz PFEIZLFMJCSCDW-YJBOKZPZSA-N 2 1 333.476 1.897 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@H]([NH3+])CCSC)[NH+]1CCOCC1 ZINC000236664536 535108483 /nfs/dbraw/zinc/10/84/83/535108483.db2.gz VKLWOMQZOODXFD-LSDHHAIUSA-N 2 1 331.526 1.320 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000262453223 535523617 /nfs/dbraw/zinc/52/36/17/535523617.db2.gz ZXOKDOJTUHSAFF-QAETUUGQSA-N 2 1 325.497 1.628 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cnn(C)c1C ZINC000340135411 535593081 /nfs/dbraw/zinc/59/30/81/535593081.db2.gz RTMGKJQXRRZFKI-SFHVURJKSA-N 2 1 349.523 1.536 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000340374835 535663885 /nfs/dbraw/zinc/66/38/85/535663885.db2.gz POTHDKWNBBFRAD-IEBWSBKVSA-N 2 1 330.476 1.186 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000236950944 535711525 /nfs/dbraw/zinc/71/15/25/535711525.db2.gz PQAIBUDJOTVWBT-CSNJMZFVSA-N 2 1 336.524 1.297 20 0 EDADMP C[NH2+][C@@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000261687547 536360725 /nfs/dbraw/zinc/36/07/25/536360725.db2.gz DROWXTAOIINWSD-LJQANCHMSA-N 2 1 344.503 1.323 20 0 EDADMP C[N@@H+]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c2ccccc2C1 ZINC000262721910 536407673 /nfs/dbraw/zinc/40/76/73/536407673.db2.gz FXCROWLWICAFQS-MRXNPFEDSA-N 2 1 339.443 1.900 20 0 EDADMP C[N@H+]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c2ccccc2C1 ZINC000262721910 536407676 /nfs/dbraw/zinc/40/76/76/536407676.db2.gz FXCROWLWICAFQS-MRXNPFEDSA-N 2 1 339.443 1.900 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3C3CCOCC3)cn2)CC1 ZINC000347664127 536426263 /nfs/dbraw/zinc/42/62/63/536426263.db2.gz DIGAYJSOVWOQRJ-SFHVURJKSA-N 2 1 345.491 1.619 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3C3CCOCC3)cn2)CC1 ZINC000347664127 536426265 /nfs/dbraw/zinc/42/62/65/536426265.db2.gz DIGAYJSOVWOQRJ-SFHVURJKSA-N 2 1 345.491 1.619 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000347808660 536469131 /nfs/dbraw/zinc/46/91/31/536469131.db2.gz ILVWZCRFOORGSG-QRVBRYPASA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000347808660 536469134 /nfs/dbraw/zinc/46/91/34/536469134.db2.gz ILVWZCRFOORGSG-QRVBRYPASA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000347808660 536469137 /nfs/dbraw/zinc/46/91/37/536469137.db2.gz ILVWZCRFOORGSG-QRVBRYPASA-N 2 1 343.471 1.583 20 0 EDADMP COCCOc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000262122189 536707907 /nfs/dbraw/zinc/70/79/07/536707907.db2.gz XIZQTWNMVVGCRS-QGZVFWFLSA-N 2 1 349.475 1.531 20 0 EDADMP COCCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261873393 536732949 /nfs/dbraw/zinc/73/29/49/536732949.db2.gz DLIGASFMGCAKBT-KSZLIROESA-N 2 1 334.460 1.959 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000345573488 536747985 /nfs/dbraw/zinc/74/79/85/536747985.db2.gz OZSCRHPRDUUBTL-GASCZTMLSA-N 2 1 325.497 1.865 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C2)cc(OC)c1 ZINC000237333677 536769857 /nfs/dbraw/zinc/76/98/57/536769857.db2.gz DUFSQOAWITZRRA-YOEHRIQHSA-N 2 1 335.448 1.378 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C2)cc(OC)c1 ZINC000237333677 536769863 /nfs/dbraw/zinc/76/98/63/536769863.db2.gz DUFSQOAWITZRRA-YOEHRIQHSA-N 2 1 335.448 1.378 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[N@@H+](C)C1 ZINC000347314426 536776317 /nfs/dbraw/zinc/77/63/17/536776317.db2.gz RCYZNEVNARIXJS-XHSDSOJGSA-N 2 1 342.528 1.713 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CCC[NH+]1CCOC ZINC000727703375 578537886 /nfs/dbraw/zinc/53/78/86/578537886.db2.gz OWANHQSHRXQYSZ-GJZGRUSLSA-N 2 1 328.526 1.046 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000727703375 578537887 /nfs/dbraw/zinc/53/78/87/578537887.db2.gz OWANHQSHRXQYSZ-GJZGRUSLSA-N 2 1 328.526 1.046 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@@H]1CCC[N@H+]1CCOC ZINC000727703375 578537888 /nfs/dbraw/zinc/53/78/88/578537888.db2.gz OWANHQSHRXQYSZ-GJZGRUSLSA-N 2 1 328.526 1.046 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H]3CO)cc2)CC1 ZINC000729543370 578581578 /nfs/dbraw/zinc/58/15/78/578581578.db2.gz QUDFBTIKZORSPC-SFHVURJKSA-N 2 1 346.475 1.224 20 0 EDADMP Cc1nccn1-c1ncccc1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000731120301 578668080 /nfs/dbraw/zinc/66/80/80/578668080.db2.gz UIGFAJOVUWKREB-HNNXBMFYSA-N 2 1 342.447 1.717 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000731120301 578668081 /nfs/dbraw/zinc/66/80/81/578668081.db2.gz UIGFAJOVUWKREB-HNNXBMFYSA-N 2 1 342.447 1.717 20 0 EDADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CC[NH+]2CCOCC2)c1 ZINC000732120767 578692957 /nfs/dbraw/zinc/69/29/57/578692957.db2.gz NHIDXTSFIVCUIN-UHFFFAOYSA-N 2 1 333.476 1.865 20 0 EDADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CC[NH+]2CCOCC2)c1 ZINC000732120767 578692958 /nfs/dbraw/zinc/69/29/58/578692958.db2.gz NHIDXTSFIVCUIN-UHFFFAOYSA-N 2 1 333.476 1.865 20 0 EDADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000733778616 578784248 /nfs/dbraw/zinc/78/42/48/578784248.db2.gz DORGXIRWHPVNSA-ZWKOTPCHSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000733778616 578784249 /nfs/dbraw/zinc/78/42/49/578784249.db2.gz DORGXIRWHPVNSA-ZWKOTPCHSA-N 2 1 337.508 1.822 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000746313368 579586519 /nfs/dbraw/zinc/58/65/19/579586519.db2.gz FTQJDUSLQZYWPL-JYJNAYRXSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000747962014 579664521 /nfs/dbraw/zinc/66/45/21/579664521.db2.gz PICXRNIGWCTLNA-INIZCTEOSA-N 2 1 339.505 1.540 20 0 EDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000747962014 579664523 /nfs/dbraw/zinc/66/45/23/579664523.db2.gz PICXRNIGWCTLNA-INIZCTEOSA-N 2 1 339.505 1.540 20 0 EDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000747962014 579664524 /nfs/dbraw/zinc/66/45/24/579664524.db2.gz PICXRNIGWCTLNA-INIZCTEOSA-N 2 1 339.505 1.540 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(OCC(N)=O)cc1 ZINC000749535814 579729981 /nfs/dbraw/zinc/72/99/81/579729981.db2.gz UUTNZJNNTHGWOK-KBAYOESNSA-N 2 1 347.459 1.234 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(OCC(N)=O)cc1 ZINC000749535814 579729982 /nfs/dbraw/zinc/72/99/82/579729982.db2.gz UUTNZJNNTHGWOK-KBAYOESNSA-N 2 1 347.459 1.234 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nnc3ccccn32)[C@H](C)C1 ZINC000764639573 580125386 /nfs/dbraw/zinc/12/53/86/580125386.db2.gz QIXGELMCNTYBFI-IAGOWNOFSA-N 2 1 345.491 1.998 20 0 EDADMP CC[N@H+](CC(=O)NC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000768303281 580210463 /nfs/dbraw/zinc/21/04/63/580210463.db2.gz QIBZPEDFKFNCMD-UHFFFAOYSA-N 2 1 332.492 1.785 20 0 EDADMP CC[N@@H+](CC(=O)NC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000768303281 580210464 /nfs/dbraw/zinc/21/04/64/580210464.db2.gz QIBZPEDFKFNCMD-UHFFFAOYSA-N 2 1 332.492 1.785 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000782770017 580584721 /nfs/dbraw/zinc/58/47/21/580584721.db2.gz SDVASQNLCVXBHJ-FQEVSTJZSA-N 2 1 345.487 1.908 20 0 EDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000788252953 580715157 /nfs/dbraw/zinc/71/51/57/580715157.db2.gz ARAYWLPJKXPRNR-APWZRJJASA-N 2 1 328.460 1.842 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793714309 580853168 /nfs/dbraw/zinc/85/31/68/580853168.db2.gz DEVUJVWHWYFOEV-HNNXBMFYSA-N 2 1 349.479 1.079 20 0 EDADMP CSC[C@@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000793794815 580856515 /nfs/dbraw/zinc/85/65/15/580856515.db2.gz DLGNLWUTFIIHMX-CYBMUJFWSA-N 2 1 340.493 1.035 20 0 EDADMP CSC[C@@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000793794815 580856516 /nfs/dbraw/zinc/85/65/16/580856516.db2.gz DLGNLWUTFIIHMX-CYBMUJFWSA-N 2 1 340.493 1.035 20 0 EDADMP CO[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000796639744 580958746 /nfs/dbraw/zinc/95/87/46/580958746.db2.gz OASQLCOZZZQLRM-RYRKJORJSA-N 2 1 333.476 1.732 20 0 EDADMP CO[C@H](C)C[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000796639744 580958747 /nfs/dbraw/zinc/95/87/47/580958747.db2.gz OASQLCOZZZQLRM-RYRKJORJSA-N 2 1 333.476 1.732 20 0 EDADMP CO[C@H](C)C[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000796639744 580958748 /nfs/dbraw/zinc/95/87/48/580958748.db2.gz OASQLCOZZZQLRM-RYRKJORJSA-N 2 1 333.476 1.732 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000798958005 581012335 /nfs/dbraw/zinc/01/23/35/581012335.db2.gz WSMSSNRAGOAYKS-WBVHZDCISA-N 2 1 333.432 1.557 20 0 EDADMP O=C1CC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C(=O)N1 ZINC000799147844 581019161 /nfs/dbraw/zinc/01/91/61/581019161.db2.gz PSSILIPPHPNCMU-KRWDZBQOSA-N 2 1 341.455 1.780 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)CCC(F)(F)F ZINC000891857288 590657796 /nfs/dbraw/zinc/65/77/96/590657796.db2.gz UJPRTHPXSUJUCI-CHWSQXEVSA-N 2 1 336.402 1.797 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)CCC(F)(F)F ZINC000891857291 590657959 /nfs/dbraw/zinc/65/79/59/590657959.db2.gz UJPRTHPXSUJUCI-QWHCGFSZSA-N 2 1 336.402 1.797 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000891856584 590658059 /nfs/dbraw/zinc/65/80/59/590658059.db2.gz RZSQHOLNTAPFKY-NJAFHUGGSA-N 2 1 346.475 1.409 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1(C)C ZINC000891881015 590668503 /nfs/dbraw/zinc/66/85/03/590668503.db2.gz SCIMQWXPUGOMTJ-HNNXBMFYSA-N 2 1 339.528 1.090 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000891956445 590706856 /nfs/dbraw/zinc/70/68/56/590706856.db2.gz QKVUDDWWZPSTHU-MAUKXSAKSA-N 2 1 330.476 1.732 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC1CC[NH2+]CC1 ZINC000891958127 590707426 /nfs/dbraw/zinc/70/74/26/590707426.db2.gz BUNDPUSTXQVQIZ-RDJZCZTQSA-N 2 1 330.476 1.806 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891957135 590707557 /nfs/dbraw/zinc/70/75/57/590707557.db2.gz UIYXBCVBJLNUQL-JKSUJKDBSA-N 2 1 338.496 1.176 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000892006110 590739684 /nfs/dbraw/zinc/73/96/84/590739684.db2.gz WOTVRRYDXZPNMX-KBAYOESNSA-N 2 1 330.476 1.806 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000892045478 590769641 /nfs/dbraw/zinc/76/96/41/590769641.db2.gz SVGLCKWXXQUUPO-RYQLBKOJSA-N 2 1 330.476 1.745 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000892055268 590775317 /nfs/dbraw/zinc/77/53/17/590775317.db2.gz XNKGHOSPXSGJOB-VDZJLULYSA-N 2 1 330.476 1.887 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)C2)cc1 ZINC000892095934 590795438 /nfs/dbraw/zinc/79/54/38/590795438.db2.gz ZBWKZMULPBZVLU-BPQIPLTHSA-N 2 1 330.476 1.867 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000892117977 590808240 /nfs/dbraw/zinc/80/82/40/590808240.db2.gz BENJVOKZJQLOCV-RDJZCZTQSA-N 2 1 346.475 1.018 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892389286 591006724 /nfs/dbraw/zinc/00/67/24/591006724.db2.gz LSDSJWNWHXUCEM-MRXNPFEDSA-N 2 1 340.512 1.517 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC[C@H]([NH3+])Cc3ccccc3)CC[C@@H]21 ZINC000892414735 591018935 /nfs/dbraw/zinc/01/89/35/591018935.db2.gz QGQXQRFUSLJPEJ-SQNIBIBYSA-N 2 1 330.476 1.682 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892490842 591047269 /nfs/dbraw/zinc/04/72/69/591047269.db2.gz XVOLNLRXGJLMIB-MRXNPFEDSA-N 2 1 340.512 1.517 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000892529920 591059791 /nfs/dbraw/zinc/05/97/91/591059791.db2.gz FVLPMTXCMRKSFK-KURKYZTESA-N 2 1 328.460 1.573 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N(C)C2CC([NH3+])C2)C1 ZINC000892536879 591064805 /nfs/dbraw/zinc/06/48/05/591064805.db2.gz VHNRDIIAMXMOKL-DAWZGUTISA-N 2 1 346.475 1.327 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N(C)C2CC([NH3+])C2)C1 ZINC000892536879 591064808 /nfs/dbraw/zinc/06/48/08/591064808.db2.gz VHNRDIIAMXMOKL-DAWZGUTISA-N 2 1 346.475 1.327 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000891536654 591113984 /nfs/dbraw/zinc/11/39/84/591113984.db2.gz FHTIQYVHCKXQIZ-CRAIPNDOSA-N 2 1 340.512 1.504 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000893914225 591135508 /nfs/dbraw/zinc/13/55/08/591135508.db2.gz LJNWEIJDZCFQGP-OAHLLOKOSA-N 2 1 349.479 1.306 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2)Cc1ccc(F)cc1 ZINC000891644719 591162657 /nfs/dbraw/zinc/16/26/57/591162657.db2.gz CSXDPUXQTBWGQU-AEFFLSMTSA-N 2 1 334.439 1.841 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)C[C@@H](C)O1 ZINC000891699644 591189648 /nfs/dbraw/zinc/18/96/48/591189648.db2.gz RUIWFMDYTFTANZ-FPCVCCKLSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)C[C@@H](C)O1 ZINC000891699644 591189650 /nfs/dbraw/zinc/18/96/50/591189650.db2.gz RUIWFMDYTFTANZ-FPCVCCKLSA-N 2 1 338.496 1.220 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1(F)F ZINC000894093177 591190777 /nfs/dbraw/zinc/19/07/77/591190777.db2.gz DGISOSHBJIQCJN-HTOAHKCRSA-N 2 1 332.391 1.224 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1(F)F ZINC000894093177 591190778 /nfs/dbraw/zinc/19/07/78/591190778.db2.gz DGISOSHBJIQCJN-HTOAHKCRSA-N 2 1 332.391 1.224 20 0 EDADMP C[C@H](NC(=O)N1CCc2sc(C[NH3+])nc2C1)C1=CC[N@@H+](C)CC1 ZINC000891766358 591216720 /nfs/dbraw/zinc/21/67/20/591216720.db2.gz SGZBUOGZGAHCCQ-NSHDSACASA-N 2 1 335.477 1.320 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000895656194 591241434 /nfs/dbraw/zinc/24/14/34/591241434.db2.gz YDRBIRLYDBSYKS-ARFHVFGLSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000895656194 591241436 /nfs/dbraw/zinc/24/14/36/591241436.db2.gz YDRBIRLYDBSYKS-ARFHVFGLSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000895656194 591241438 /nfs/dbraw/zinc/24/14/38/591241438.db2.gz YDRBIRLYDBSYKS-ARFHVFGLSA-N 2 1 338.496 1.100 20 0 EDADMP COC(=O)c1cnc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000894261929 591254142 /nfs/dbraw/zinc/25/41/42/591254142.db2.gz WWIKFZOYFQXRRC-LBPRGKRZSA-N 2 1 327.450 1.256 20 0 EDADMP COC(=O)c1cnc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000894261929 591254143 /nfs/dbraw/zinc/25/41/43/591254143.db2.gz WWIKFZOYFQXRRC-LBPRGKRZSA-N 2 1 327.450 1.256 20 0 EDADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000894424863 591308665 /nfs/dbraw/zinc/30/86/65/591308665.db2.gz AODAFIFOOUUBBF-IAGOWNOFSA-N 2 1 339.480 1.698 20 0 EDADMP O=C(NCC[NH+]1CCC(O)CC1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000895964361 591313833 /nfs/dbraw/zinc/31/38/33/591313833.db2.gz NGVPAXSNYYXQIE-INIZCTEOSA-N 2 1 338.496 1.149 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000895991647 591315688 /nfs/dbraw/zinc/31/56/88/591315688.db2.gz XZLCWDDDTZZEKG-KRWDZBQOSA-N 2 1 337.508 1.820 20 0 EDADMP Cn1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C2CC2)n1 ZINC000894458958 591317820 /nfs/dbraw/zinc/31/78/20/591317820.db2.gz BWYBRCIZZROFLN-SFHVURJKSA-N 2 1 331.508 1.898 20 0 EDADMP Cn1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C2CC2)n1 ZINC000894458958 591317823 /nfs/dbraw/zinc/31/78/23/591317823.db2.gz BWYBRCIZZROFLN-SFHVURJKSA-N 2 1 331.508 1.898 20 0 EDADMP C[NH+]1CCC(CCO)([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000894470289 591320707 /nfs/dbraw/zinc/32/07/07/591320707.db2.gz UEWOVGUQMDEETI-UHFFFAOYSA-N 2 1 327.469 1.290 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc2nc[nH]c21 ZINC000896041821 591329380 /nfs/dbraw/zinc/32/93/80/591329380.db2.gz BLCDCHWFYBXHFF-CQSZACIVSA-N 2 1 344.463 1.446 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]cc2ncnc1-2 ZINC000896041821 591329384 /nfs/dbraw/zinc/32/93/84/591329384.db2.gz BLCDCHWFYBXHFF-CQSZACIVSA-N 2 1 344.463 1.446 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]cc2ncnc1-2 ZINC000896041821 591329387 /nfs/dbraw/zinc/32/93/87/591329387.db2.gz BLCDCHWFYBXHFF-CQSZACIVSA-N 2 1 344.463 1.446 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000896257395 591400216 /nfs/dbraw/zinc/40/02/16/591400216.db2.gz DRVWPANBYIFRCJ-KZNAEPCWSA-N 2 1 331.460 1.516 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000896257395 591400218 /nfs/dbraw/zinc/40/02/18/591400218.db2.gz DRVWPANBYIFRCJ-KZNAEPCWSA-N 2 1 331.460 1.516 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000896257395 591400221 /nfs/dbraw/zinc/40/02/21/591400221.db2.gz DRVWPANBYIFRCJ-KZNAEPCWSA-N 2 1 331.460 1.516 20 0 EDADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000898596725 591430340 /nfs/dbraw/zinc/43/03/40/591430340.db2.gz YCWDJGMJMPSEHW-UHFFFAOYSA-N 2 1 347.507 1.887 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000897466447 591468108 /nfs/dbraw/zinc/46/81/08/591468108.db2.gz UQKBUZQJCFBIAD-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC000897469706 591471297 /nfs/dbraw/zinc/47/12/97/591471297.db2.gz PBZNNQQSXOIUOQ-HNNXBMFYSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@H]2CCCC[NH+](C)C2)CC1 ZINC000897548832 591547745 /nfs/dbraw/zinc/54/77/45/591547745.db2.gz OYKQCIORZJLENN-MRXNPFEDSA-N 2 1 340.512 1.207 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000897548832 591547749 /nfs/dbraw/zinc/54/77/49/591547749.db2.gz OYKQCIORZJLENN-MRXNPFEDSA-N 2 1 340.512 1.207 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897548832 591547753 /nfs/dbraw/zinc/54/77/53/591547753.db2.gz OYKQCIORZJLENN-MRXNPFEDSA-N 2 1 340.512 1.207 20 0 EDADMP C[C@H](CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000896795751 591614004 /nfs/dbraw/zinc/61/40/04/591614004.db2.gz DMOGOZBYJMNOEL-APWZRJJASA-N 2 1 345.487 1.734 20 0 EDADMP COC(=O)[C@@H]1[C@@H](CN2CCC[C@@H]([NH+]3CCOCC3)CC2)C1(F)F ZINC000895193383 591651889 /nfs/dbraw/zinc/65/18/89/591651889.db2.gz XFPLUDNNDIFGKU-MCIONIFRSA-N 2 1 332.391 1.227 20 0 EDADMP CN1CCC[C@H]1c1cc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)[nH]n1 ZINC000897235968 591781062 /nfs/dbraw/zinc/78/10/62/591781062.db2.gz VITMAFYHPNZNFW-YOEHRIQHSA-N 2 1 349.479 1.143 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000897264146 591794886 /nfs/dbraw/zinc/79/48/86/591794886.db2.gz VCHAUUJNJUPNHP-IKGGRYGDSA-N 2 1 336.524 1.344 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](c4nccs4)C3)cn2)CC1 ZINC000895579987 591812634 /nfs/dbraw/zinc/81/26/34/591812634.db2.gz CVHQILKUMFDQEU-OAHLLOKOSA-N 2 1 344.488 1.674 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](c4nccs4)C3)cn2)CC1 ZINC000895579987 591812639 /nfs/dbraw/zinc/81/26/39/591812639.db2.gz CVHQILKUMFDQEU-OAHLLOKOSA-N 2 1 344.488 1.674 20 0 EDADMP C[C@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895602894 591815168 /nfs/dbraw/zinc/81/51/68/591815168.db2.gz FSIOPNOEJGNQBD-OAGGEKHMSA-N 2 1 342.528 1.713 20 0 EDADMP C[C@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895602894 591815171 /nfs/dbraw/zinc/81/51/71/591815171.db2.gz FSIOPNOEJGNQBD-OAGGEKHMSA-N 2 1 342.528 1.713 20 0 EDADMP C[C@H](CNC(=O)N1CCC12CC[NH+](C)CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604416 591816425 /nfs/dbraw/zinc/81/64/25/591816425.db2.gz BDTSUHNVRISRPP-OAGGEKHMSA-N 2 1 338.496 1.364 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000900002958 591861368 /nfs/dbraw/zinc/86/13/68/591861368.db2.gz ZTCJYBJZEKYMLI-IEBWSBKVSA-N 2 1 331.460 1.354 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900016169 591868646 /nfs/dbraw/zinc/86/86/46/591868646.db2.gz MINKKESOVRNCML-MJGOQNOKSA-N 2 1 333.476 1.600 20 0 EDADMP O=C(N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C12CC[NH+](CC1)C2 ZINC000900076781 591888782 /nfs/dbraw/zinc/88/87/82/591888782.db2.gz LYHYQYRGYBVJJV-UHFFFAOYSA-N 2 1 331.435 1.956 20 0 EDADMP O=C(N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C12CC[NH+](CC1)C2 ZINC000900076781 591888785 /nfs/dbraw/zinc/88/87/85/591888785.db2.gz LYHYQYRGYBVJJV-UHFFFAOYSA-N 2 1 331.435 1.956 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2)CC1 ZINC000900208031 591942638 /nfs/dbraw/zinc/94/26/38/591942638.db2.gz CBIFUSXYPQIKGM-UHFFFAOYSA-N 2 1 342.487 1.146 20 0 EDADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)cc1 ZINC000900228511 591956557 /nfs/dbraw/zinc/95/65/57/591956557.db2.gz NFKNUMWBLVCNRK-LPHOPBHVSA-N 2 1 349.475 1.801 20 0 EDADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)cc1 ZINC000900228511 591956558 /nfs/dbraw/zinc/95/65/58/591956558.db2.gz NFKNUMWBLVCNRK-LPHOPBHVSA-N 2 1 349.475 1.801 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902318700 591969151 /nfs/dbraw/zinc/96/91/51/591969151.db2.gz QYWVUCJIPPJEHG-CQSZACIVSA-N 2 1 325.478 1.463 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900352967 591993014 /nfs/dbraw/zinc/99/30/14/591993014.db2.gz KEESAIWWTKRPPJ-UIBIWLFHSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900352967 591993015 /nfs/dbraw/zinc/99/30/15/591993015.db2.gz KEESAIWWTKRPPJ-UIBIWLFHSA-N 2 1 325.497 1.316 20 0 EDADMP O=C1O[C@@H](CNc2cc(N3CCCCC3)[nH+]cn2)CC12CC[NH2+]CC2 ZINC000900360091 591995012 /nfs/dbraw/zinc/99/50/12/591995012.db2.gz NLBRRWMXMXKWFI-CQSZACIVSA-N 2 1 345.447 1.564 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900604829 592066687 /nfs/dbraw/zinc/06/66/87/592066687.db2.gz UUOPOIZWXWHMDR-MAUKXSAKSA-N 2 1 334.464 1.456 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900604829 592066688 /nfs/dbraw/zinc/06/66/88/592066688.db2.gz UUOPOIZWXWHMDR-MAUKXSAKSA-N 2 1 334.464 1.456 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CC[NH+](CC2CCOCC2)CC1 ZINC000900761285 592109317 /nfs/dbraw/zinc/10/93/17/592109317.db2.gz QCHVSQIERKIHPI-ZWKOTPCHSA-N 2 1 335.492 1.574 20 0 EDADMP O=C1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@H]([C@H]2CCCO2)N1 ZINC000903173276 592130546 /nfs/dbraw/zinc/13/05/46/592130546.db2.gz XYWTVGRTZINJNX-RZXJGNPJSA-N 2 1 333.476 1.560 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCO[C@]34CCOC4)cc2)C1 ZINC000903200398 592134311 /nfs/dbraw/zinc/13/43/11/592134311.db2.gz RRODTWPPVCYLPG-QRVBRYPASA-N 2 1 332.444 1.291 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000900828079 592139666 /nfs/dbraw/zinc/13/96/66/592139666.db2.gz LIXPSKZTXXXHFF-INIZCTEOSA-N 2 1 325.497 1.628 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000903492952 592185607 /nfs/dbraw/zinc/18/56/07/592185607.db2.gz MQZKMFSUMKBTIR-FCEWJHQRSA-N 2 1 340.427 1.585 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)N(C1CC1)C1CCCC1)C2 ZINC000903493153 592185818 /nfs/dbraw/zinc/18/58/18/592185818.db2.gz VRBWATJOXVJUJN-KSMMKXTCSA-N 2 1 349.475 1.132 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000901024597 592202631 /nfs/dbraw/zinc/20/26/31/592202631.db2.gz YOPZMYUIJVJPSV-AQEOSJORSA-N 2 1 337.508 1.722 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906649290 592234123 /nfs/dbraw/zinc/23/41/23/592234123.db2.gz BTRCXJZQNBTUJI-ZDUSSCGKSA-N 2 1 334.464 1.665 20 0 EDADMP C[N@@H+](CCCCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C1CC1 ZINC000906667026 592249282 /nfs/dbraw/zinc/24/92/82/592249282.db2.gz AMSZZIJRLDOZNN-UHFFFAOYSA-N 2 1 346.475 1.810 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CC[NH+](CCN(C)C)CC2)C1 ZINC000906680532 592262117 /nfs/dbraw/zinc/26/21/17/592262117.db2.gz XZIMROUGTTZHIT-SFHVURJKSA-N 2 1 338.540 1.498 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CCN(CC[NH+](C)C)CC2)C1 ZINC000906680532 592262121 /nfs/dbraw/zinc/26/21/21/592262121.db2.gz XZIMROUGTTZHIT-SFHVURJKSA-N 2 1 338.540 1.498 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CCN(CC[NH+](C)C)CC2)C1 ZINC000906680532 592262124 /nfs/dbraw/zinc/26/21/24/592262124.db2.gz XZIMROUGTTZHIT-SFHVURJKSA-N 2 1 338.540 1.498 20 0 EDADMP C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1(C)C ZINC000906681484 592262892 /nfs/dbraw/zinc/26/28/92/592262892.db2.gz WFJMPPFUFJNKPH-UHFFFAOYSA-N 2 1 332.448 1.372 20 0 EDADMP C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1(C)C ZINC000906681484 592262895 /nfs/dbraw/zinc/26/28/95/592262895.db2.gz WFJMPPFUFJNKPH-UHFFFAOYSA-N 2 1 332.448 1.372 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000901182001 592267159 /nfs/dbraw/zinc/26/71/59/592267159.db2.gz XNEQFQSZCKJXHD-HKUYNNGSSA-N 2 1 337.508 1.556 20 0 EDADMP CCn1nc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1C1CC1 ZINC000906660147 592269767 /nfs/dbraw/zinc/26/97/67/592269767.db2.gz JYLJJRDUERDTOD-HNNXBMFYSA-N 2 1 345.491 1.679 20 0 EDADMP CCn1nc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1C1CC1 ZINC000906660147 592269771 /nfs/dbraw/zinc/26/97/71/592269771.db2.gz JYLJJRDUERDTOD-HNNXBMFYSA-N 2 1 345.491 1.679 20 0 EDADMP CC[N@@H+](CC(=O)Nc1cccc(OC)c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718625 592280601 /nfs/dbraw/zinc/28/06/01/592280601.db2.gz PRXSTEDHIIHXNM-MJGOQNOKSA-N 2 1 347.459 1.724 20 0 EDADMP CC[N@H+](CC(=O)Nc1cccc(OC)c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718625 592280603 /nfs/dbraw/zinc/28/06/03/592280603.db2.gz PRXSTEDHIIHXNM-MJGOQNOKSA-N 2 1 347.459 1.724 20 0 EDADMP [NH3+]C1(CNC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000904537667 592282293 /nfs/dbraw/zinc/28/22/93/592282293.db2.gz FFJHWBBDEIAWKF-INIZCTEOSA-N 2 1 329.448 1.584 20 0 EDADMP O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725168 592285288 /nfs/dbraw/zinc/28/52/88/592285288.db2.gz XOHZTWCZFAIODJ-IAGOWNOFSA-N 2 1 335.492 1.383 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@H]1C ZINC000904582440 592286898 /nfs/dbraw/zinc/28/68/98/592286898.db2.gz OMENXEWGYSWYDW-KGLIPLIRSA-N 2 1 334.464 1.799 20 0 EDADMP COC(=O)CC[N@@H+](C[C@H]1CCCO1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753779 592296623 /nfs/dbraw/zinc/29/66/23/592296623.db2.gz YDCNMFTUJWECBW-CVEARBPZSA-N 2 1 340.464 1.189 20 0 EDADMP Cc1cc(CN2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)on1 ZINC000903733840 592298049 /nfs/dbraw/zinc/29/80/49/592298049.db2.gz RIMJVLGJEJVICD-KRWDZBQOSA-N 2 1 334.464 1.259 20 0 EDADMP CCc1cnc(N2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)s1 ZINC000903739539 592301860 /nfs/dbraw/zinc/30/18/60/592301860.db2.gz LPFZRYQALHNDKA-PBHICJAKSA-N 2 1 336.505 1.596 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)cc1 ZINC000906722022 592312214 /nfs/dbraw/zinc/31/22/14/592312214.db2.gz PNGXJXQWWQWEFE-UHFFFAOYSA-N 2 1 346.475 1.667 20 0 EDADMP c1ccc([C@]23COC[C@H]2C[N@H+](C[C@@H]2C[C@@]4(CC[NH2+]C4)CO2)C3)cc1 ZINC000903784001 592321797 /nfs/dbraw/zinc/32/17/97/592321797.db2.gz IROJZZJYFDCGLP-WCIQWLHISA-N 2 1 328.456 1.655 20 0 EDADMP C[C@]1([C@@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)COC(=O)N1 ZINC000903785964 592322032 /nfs/dbraw/zinc/32/20/32/592322032.db2.gz CVSVEGKFFXWGBG-HLLBOEOZSA-N 2 1 337.464 1.356 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])CN2CC[N@@H+](C)C[C@H]2c2ccccc2)cnn1C ZINC000903872776 592354508 /nfs/dbraw/zinc/35/45/08/592354508.db2.gz CGXHQAPFGXDSHT-PXNSSMCTSA-N 2 1 341.503 1.835 20 0 EDADMP Cc1c(C[C@H](C[NH3+])CN2CC[NH+](Cc3cccs3)CC2)cnn1C ZINC000903877788 592358720 /nfs/dbraw/zinc/35/87/20/592358720.db2.gz QEPGJEYICHFPGH-MRXNPFEDSA-N 2 1 347.532 1.725 20 0 EDADMP CC[C@@H]1C[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)[C@H](CC)CN1C(C)=O ZINC000903899658 592370774 /nfs/dbraw/zinc/37/07/74/592370774.db2.gz VWUNZHJFMADVPN-BHIYHBOVSA-N 2 1 349.523 1.567 20 0 EDADMP CC[C@@H]1C[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)[C@H](CC)CN1C(C)=O ZINC000903899658 592370777 /nfs/dbraw/zinc/37/07/77/592370777.db2.gz VWUNZHJFMADVPN-BHIYHBOVSA-N 2 1 349.523 1.567 20 0 EDADMP COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903932028 592384080 /nfs/dbraw/zinc/38/40/80/592384080.db2.gz LJAJIEZPYKGGSS-CJNGLKHVSA-N 2 1 343.431 1.825 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000903931452 592384275 /nfs/dbraw/zinc/38/42/75/592384275.db2.gz FBTXLJRAGATSPM-QAPCUYQASA-N 2 1 327.432 1.856 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000903931452 592384279 /nfs/dbraw/zinc/38/42/79/592384279.db2.gz FBTXLJRAGATSPM-QAPCUYQASA-N 2 1 327.432 1.856 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cnn1C ZINC000903937591 592387729 /nfs/dbraw/zinc/38/77/29/592387729.db2.gz NULFTYUJQIUBTQ-NJZAAPMLSA-N 2 1 348.413 1.888 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cnn1C ZINC000903937591 592387734 /nfs/dbraw/zinc/38/77/34/592387734.db2.gz NULFTYUJQIUBTQ-NJZAAPMLSA-N 2 1 348.413 1.888 20 0 EDADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975311 592398316 /nfs/dbraw/zinc/39/83/16/592398316.db2.gz ZPHSAAUGMVTIGM-IRXDYDNUSA-N 2 1 337.508 1.916 20 0 EDADMP CCOc1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cc1F ZINC000903977375 592399656 /nfs/dbraw/zinc/39/96/56/592399656.db2.gz PWIMCNMRKLRWDS-IYOUNJFTSA-N 2 1 336.407 1.937 20 0 EDADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905073463 592403070 /nfs/dbraw/zinc/40/30/70/592403070.db2.gz WRUGZTZWCBLINL-RTBURBONSA-N 2 1 348.487 1.391 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C[C@H](O)c1ccccc1 ZINC000905109884 592411127 /nfs/dbraw/zinc/41/11/27/592411127.db2.gz JOLXBLVVEQEKMQ-UFYCRDLUSA-N 2 1 348.487 1.704 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000905213726 592469314 /nfs/dbraw/zinc/46/93/14/592469314.db2.gz GDFZRYUHSQTOIU-MRXNPFEDSA-N 2 1 334.464 1.026 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000907089773 592516006 /nfs/dbraw/zinc/51/60/06/592516006.db2.gz GNHFGVNUPSPFSB-XWTMOSNGSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)O2)CO1 ZINC000905484680 592539516 /nfs/dbraw/zinc/53/95/16/592539516.db2.gz JLOHBPLZXJICSX-BTHPGYMESA-N 2 1 348.487 1.796 20 0 EDADMP C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)O2)CO1 ZINC000905484680 592539519 /nfs/dbraw/zinc/53/95/19/592539519.db2.gz JLOHBPLZXJICSX-BTHPGYMESA-N 2 1 348.487 1.796 20 0 EDADMP OC[C@H](C[C@@H]1CCCO1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000905458894 592541147 /nfs/dbraw/zinc/54/11/47/592541147.db2.gz CXMDPCWKAAVLNU-FHWLQOOXSA-N 2 1 334.460 1.143 20 0 EDADMP OC[C@H](C[C@@H]1CCCO1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000905458894 592541149 /nfs/dbraw/zinc/54/11/49/592541149.db2.gz CXMDPCWKAAVLNU-FHWLQOOXSA-N 2 1 334.460 1.143 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCC(=O)Nc1cccnc1)C2 ZINC000905500973 592545749 /nfs/dbraw/zinc/54/57/49/592545749.db2.gz DGHQDFOQXYKBOM-FPAYPSAMSA-N 2 1 346.475 1.480 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=S)NCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000905526886 592562119 /nfs/dbraw/zinc/56/21/19/592562119.db2.gz UKHVQYCUVKOOJD-GASCZTMLSA-N 2 1 342.553 1.244 20 0 EDADMP CC[C@@H](CN1CCOCC1)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000905553623 592574231 /nfs/dbraw/zinc/57/42/31/592574231.db2.gz UGKPHFMVZMXOBR-OALUTQOASA-N 2 1 335.492 1.180 20 0 EDADMP CC[C@@H](CN1CCOCC1)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000905553623 592574233 /nfs/dbraw/zinc/57/42/33/592574233.db2.gz UGKPHFMVZMXOBR-OALUTQOASA-N 2 1 335.492 1.180 20 0 EDADMP CC1(C)CCCN(c2ccnc(NCC[NH+]3CCC([NH3+])CC3)n2)C1 ZINC000905707249 592617946 /nfs/dbraw/zinc/61/79/46/592617946.db2.gz UFNGNTWMAOLTKP-UHFFFAOYSA-N 2 1 332.496 1.938 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)c1ccccc1 ZINC000905764489 592639415 /nfs/dbraw/zinc/63/94/15/592639415.db2.gz RJNGBSPUGVQLLM-IBGZPJMESA-N 2 1 346.519 1.679 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C)C1CC1 ZINC000907501559 592675998 /nfs/dbraw/zinc/67/59/98/592675998.db2.gz BTRCAOOIPVSRNW-QWFCFKBJSA-N 2 1 345.487 1.468 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)C1CC1 ZINC000907501559 592675999 /nfs/dbraw/zinc/67/59/99/592675999.db2.gz BTRCAOOIPVSRNW-QWFCFKBJSA-N 2 1 345.487 1.468 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)C1CC1 ZINC000907501559 592676003 /nfs/dbraw/zinc/67/60/03/592676003.db2.gz BTRCAOOIPVSRNW-QWFCFKBJSA-N 2 1 345.487 1.468 20 0 EDADMP O=C(N1CC[NH2+]Cc2ccccc21)C1(n2cccn2)CC[NH2+]CC1 ZINC000906220488 592761243 /nfs/dbraw/zinc/76/12/43/592761243.db2.gz ASJZMGGQAZNKPJ-UHFFFAOYSA-N 2 1 325.416 1.098 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000907836878 592811390 /nfs/dbraw/zinc/81/13/90/592811390.db2.gz PTVUENLXOVFKEI-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000907836878 592811392 /nfs/dbraw/zinc/81/13/92/592811392.db2.gz PTVUENLXOVFKEI-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000907836878 592811393 /nfs/dbraw/zinc/81/13/93/592811393.db2.gz PTVUENLXOVFKEI-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000907836878 592811394 /nfs/dbraw/zinc/81/13/94/592811394.db2.gz PTVUENLXOVFKEI-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCn1ccnc1[C@H]1CCCCN1C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000907937612 592849859 /nfs/dbraw/zinc/84/98/59/592849859.db2.gz FTTSVMKTRVIGEC-CRAIPNDOSA-N 2 1 334.464 1.803 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000910573577 592876031 /nfs/dbraw/zinc/87/60/31/592876031.db2.gz VTHJBWNVMOEJJZ-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000910573577 592876032 /nfs/dbraw/zinc/87/60/32/592876032.db2.gz VTHJBWNVMOEJJZ-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CCn3cncc3C2)CC1 ZINC000911573418 592951672 /nfs/dbraw/zinc/95/16/72/592951672.db2.gz JCJZRPGMCSJGFR-INIZCTEOSA-N 2 1 333.480 1.120 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000911302301 592984714 /nfs/dbraw/zinc/98/47/14/592984714.db2.gz JHYHBRQLCYVPMW-ZWKOTPCHSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000911302301 592984717 /nfs/dbraw/zinc/98/47/17/592984717.db2.gz JHYHBRQLCYVPMW-ZWKOTPCHSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000911302301 592984720 /nfs/dbraw/zinc/98/47/20/592984720.db2.gz JHYHBRQLCYVPMW-ZWKOTPCHSA-N 2 1 336.524 1.345 20 0 EDADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736568885 593018022 /nfs/dbraw/zinc/01/80/22/593018022.db2.gz DJLPENJCTDJTLU-ZDUSSCGKSA-N 2 1 340.435 1.336 20 0 EDADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736568885 593018024 /nfs/dbraw/zinc/01/80/24/593018024.db2.gz DJLPENJCTDJTLU-ZDUSSCGKSA-N 2 1 340.435 1.336 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000912466144 593097018 /nfs/dbraw/zinc/09/70/18/593097018.db2.gz ULCZDLWTYFYBGI-GGPKGHCWSA-N 2 1 345.487 1.217 20 0 EDADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000912466144 593097019 /nfs/dbraw/zinc/09/70/19/593097019.db2.gz ULCZDLWTYFYBGI-GGPKGHCWSA-N 2 1 345.487 1.217 20 0 EDADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000912466144 593097020 /nfs/dbraw/zinc/09/70/20/593097020.db2.gz ULCZDLWTYFYBGI-GGPKGHCWSA-N 2 1 345.487 1.217 20 0 EDADMP CO[C@@H](C)CN(C)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000840082066 593136045 /nfs/dbraw/zinc/13/60/45/593136045.db2.gz YOJMUSSXIPKDTN-BHYGNILZSA-N 2 1 345.443 1.028 20 0 EDADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000838939129 593242340 /nfs/dbraw/zinc/24/23/40/593242340.db2.gz YBXUYXPKPQAAOC-LSDHHAIUSA-N 2 1 339.480 1.744 20 0 EDADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000838939129 593242342 /nfs/dbraw/zinc/24/23/42/593242342.db2.gz YBXUYXPKPQAAOC-LSDHHAIUSA-N 2 1 339.480 1.744 20 0 EDADMP COCC[N@H+]1CC[C@H](Nc2ccc(OCC[NH+](C)C)c(F)c2)C1 ZINC000839190590 593272865 /nfs/dbraw/zinc/27/28/65/593272865.db2.gz QYFPTYUWVLNZIV-HNNXBMFYSA-N 2 1 325.428 1.899 20 0 EDADMP CC1(C)C(=O)N(C[NH+]2CCC(n3ccnc3)CC2)[C@@H]1[C@H]1CCCO1 ZINC000811748223 593478529 /nfs/dbraw/zinc/47/85/29/593478529.db2.gz UNECXVXOLHMION-HZPDHXFCSA-N 2 1 332.448 1.894 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000812321973 593496129 /nfs/dbraw/zinc/49/61/29/593496129.db2.gz NEUQZNYGTKDTGQ-RZFLPCETSA-N 2 1 337.508 1.530 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CC[NH+](C)C[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000812321973 593496130 /nfs/dbraw/zinc/49/61/30/593496130.db2.gz NEUQZNYGTKDTGQ-RZFLPCETSA-N 2 1 337.508 1.530 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000812321973 593496131 /nfs/dbraw/zinc/49/61/31/593496131.db2.gz NEUQZNYGTKDTGQ-RZFLPCETSA-N 2 1 337.508 1.530 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000812321973 593496132 /nfs/dbraw/zinc/49/61/32/593496132.db2.gz NEUQZNYGTKDTGQ-RZFLPCETSA-N 2 1 337.508 1.530 20 0 EDADMP CC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H](C)CO ZINC000815182355 593619569 /nfs/dbraw/zinc/61/95/69/593619569.db2.gz HOTYGZWZFVHBQX-INIZCTEOSA-N 2 1 348.491 1.470 20 0 EDADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818986142 593732568 /nfs/dbraw/zinc/73/25/68/593732568.db2.gz GVYKSHGVPFMXFE-LSDHHAIUSA-N 2 1 335.423 1.916 20 0 EDADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818986142 593732569 /nfs/dbraw/zinc/73/25/69/593732569.db2.gz GVYKSHGVPFMXFE-LSDHHAIUSA-N 2 1 335.423 1.916 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000821252671 593997282 /nfs/dbraw/zinc/99/72/82/593997282.db2.gz AUMDEXKXOLBZJN-RHSMWYFYSA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000821252671 593997284 /nfs/dbraw/zinc/99/72/84/593997284.db2.gz AUMDEXKXOLBZJN-RHSMWYFYSA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000821252671 593997286 /nfs/dbraw/zinc/99/72/86/593997286.db2.gz AUMDEXKXOLBZJN-RHSMWYFYSA-N 2 1 344.463 1.908 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821253738 593997965 /nfs/dbraw/zinc/99/79/65/593997965.db2.gz HZILVQHTUDLUIL-RHSMWYFYSA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821253738 593997967 /nfs/dbraw/zinc/99/79/67/593997967.db2.gz HZILVQHTUDLUIL-RHSMWYFYSA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821253738 593997970 /nfs/dbraw/zinc/99/79/70/593997970.db2.gz HZILVQHTUDLUIL-RHSMWYFYSA-N 2 1 344.463 1.908 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000840453509 594005177 /nfs/dbraw/zinc/00/51/77/594005177.db2.gz PSSFPKQRXDKKSJ-WMLDXEAASA-N 2 1 329.460 1.162 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@@H](C)[NH+](C)C)C2)ccn1 ZINC000824797641 594076437 /nfs/dbraw/zinc/07/64/37/594076437.db2.gz NLKGDMTZFKDKAE-PBHICJAKSA-N 2 1 334.464 1.463 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000827837342 594288117 /nfs/dbraw/zinc/28/81/17/594288117.db2.gz ULVXYMZUMWLZOD-KRWDZBQOSA-N 2 1 325.497 1.676 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000828142889 594350567 /nfs/dbraw/zinc/35/05/67/594350567.db2.gz VGLLZWWDTIRHCN-MRXNPFEDSA-N 2 1 331.464 1.645 20 0 EDADMP CN(C(=O)NCCCCCC[NH3+])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000831273681 594596872 /nfs/dbraw/zinc/59/68/72/594596872.db2.gz AGLHKNIPCAUMLD-QGZVFWFLSA-N 2 1 339.528 1.315 20 0 EDADMP CN(C(=O)NCCCCCC[NH3+])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000831273681 594596876 /nfs/dbraw/zinc/59/68/76/594596876.db2.gz AGLHKNIPCAUMLD-QGZVFWFLSA-N 2 1 339.528 1.315 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)COC3CC[NH2+]CC3)cc2)CC1 ZINC000827249805 594656336 /nfs/dbraw/zinc/65/63/36/594656336.db2.gz MSXRGFYDNPGUOY-UHFFFAOYSA-N 2 1 346.475 1.536 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000827311017 594660313 /nfs/dbraw/zinc/66/03/13/594660313.db2.gz NSJYPKFDYHUBGH-RCCFBDPRSA-N 2 1 337.508 1.676 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000827311017 594660314 /nfs/dbraw/zinc/66/03/14/594660314.db2.gz NSJYPKFDYHUBGH-RCCFBDPRSA-N 2 1 337.508 1.676 20 0 EDADMP [NH3+]CCOc1ccc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000841323903 594885058 /nfs/dbraw/zinc/88/50/58/594885058.db2.gz DKDFEDQEIUSCGG-GDBMZVCRSA-N 2 1 334.420 1.009 20 0 EDADMP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000841791472 594954007 /nfs/dbraw/zinc/95/40/07/594954007.db2.gz XVECNOCLCWUYMI-MSOLQXFVSA-N 2 1 346.475 1.410 20 0 EDADMP COCC[NH2+]CCNC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000841899885 594977475 /nfs/dbraw/zinc/97/74/75/594977475.db2.gz YKSSIZWXOKMTPT-LJQANCHMSA-N 2 1 348.491 1.434 20 0 EDADMP [NH3+]CCCCCCNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000843263023 595057721 /nfs/dbraw/zinc/05/77/21/595057721.db2.gz UDYPTLLGQPAPPH-UHFFFAOYSA-N 2 1 338.496 1.099 20 0 EDADMP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccn(-c2ccccc2)n1 ZINC000843357289 595086064 /nfs/dbraw/zinc/08/60/64/595086064.db2.gz GXUJIUDNLKUXMY-UHFFFAOYSA-N 2 1 327.432 1.126 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccn(-c2ccccc2)n1 ZINC000843357289 595086066 /nfs/dbraw/zinc/08/60/66/595086066.db2.gz GXUJIUDNLKUXMY-UHFFFAOYSA-N 2 1 327.432 1.126 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(O)cc2)C1 ZINC000846227240 595179457 /nfs/dbraw/zinc/17/94/57/595179457.db2.gz KSMHKVSVWKRYPL-XYPHTWIQSA-N 2 1 333.432 1.692 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(O)cc2)C1 ZINC000846227240 595179459 /nfs/dbraw/zinc/17/94/59/595179459.db2.gz KSMHKVSVWKRYPL-XYPHTWIQSA-N 2 1 333.432 1.692 20 0 EDADMP CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000835158978 595271207 /nfs/dbraw/zinc/27/12/07/595271207.db2.gz NDIJTZMUTKCSDN-KRWDZBQOSA-N 2 1 344.415 1.781 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000835158978 595271209 /nfs/dbraw/zinc/27/12/09/595271209.db2.gz NDIJTZMUTKCSDN-KRWDZBQOSA-N 2 1 344.415 1.781 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H](O)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000843062566 595277601 /nfs/dbraw/zinc/27/76/01/595277601.db2.gz PSNAVYSTOUHERM-LSDHHAIUSA-N 2 1 343.265 1.529 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000843062668 595277967 /nfs/dbraw/zinc/27/79/67/595277967.db2.gz QZWYOHRTZACCOT-HIFRSBDPSA-N 2 1 348.365 1.665 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844170128 595290322 /nfs/dbraw/zinc/29/03/22/595290322.db2.gz GKGIVFXEOXVHMN-KRWDZBQOSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@H](c1ccc(NC(=O)CO[C@H]2CCC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000844182793 595294841 /nfs/dbraw/zinc/29/48/41/595294841.db2.gz MPSILMWVJSVLTG-QAPCUYQASA-N 2 1 347.459 1.787 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NOC(C)(C)CO)CC2)CC1 ZINC000848161749 595331030 /nfs/dbraw/zinc/33/10/30/595331030.db2.gz CDMXMMNZOZWXDZ-UHFFFAOYSA-N 2 1 327.469 1.001 20 0 EDADMP C[NH+](C)CCCNC(=S)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000844588907 595362595 /nfs/dbraw/zinc/36/25/95/595362595.db2.gz IPAROVYVPFUFAN-QGZVFWFLSA-N 2 1 334.533 1.671 20 0 EDADMP C[NH+](C)CCCNC(=S)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000844588907 595362599 /nfs/dbraw/zinc/36/25/99/595362599.db2.gz IPAROVYVPFUFAN-QGZVFWFLSA-N 2 1 334.533 1.671 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H](N)CC[NH+](C)C)n2)cn1 ZINC000844908512 595411758 /nfs/dbraw/zinc/41/17/58/595411758.db2.gz HFRCYZVEKSUXKU-ZDUSSCGKSA-N 2 1 327.392 1.577 20 0 EDADMP Cc1ccc(OCCNC(=[NH2+])NCCC[NH+]2CCOCC2)c(C)c1 ZINC000849053214 595475679 /nfs/dbraw/zinc/47/56/79/595475679.db2.gz MVFADRCMVLAFJX-UHFFFAOYSA-N 2 1 334.464 1.519 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccnn3C)CC2)CC1 ZINC000847738825 595476555 /nfs/dbraw/zinc/47/65/55/595476555.db2.gz ZRCOVGWXMOCSDG-UHFFFAOYSA-N 2 1 347.507 1.275 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H]1COc2ccccc2O1 ZINC000849096568 595481430 /nfs/dbraw/zinc/48/14/30/595481430.db2.gz VSNYQHYBFRIECQ-HUUCEWRRSA-N 2 1 332.448 1.815 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849481347 595547134 /nfs/dbraw/zinc/54/71/34/595547134.db2.gz KMKWHNZNWFRDTR-ROUUACIJSA-N 2 1 347.507 1.256 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849531478 595559112 /nfs/dbraw/zinc/55/91/12/595559112.db2.gz DTOGBGZMMSWFPI-IAGOWNOFSA-N 2 1 335.496 1.304 20 0 EDADMP CCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849531478 595559115 /nfs/dbraw/zinc/55/91/15/595559115.db2.gz DTOGBGZMMSWFPI-IAGOWNOFSA-N 2 1 335.496 1.304 20 0 EDADMP CCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849531478 595559119 /nfs/dbraw/zinc/55/91/19/595559119.db2.gz DTOGBGZMMSWFPI-IAGOWNOFSA-N 2 1 335.496 1.304 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000849527725 595559493 /nfs/dbraw/zinc/55/94/93/595559493.db2.gz JXXLWVVTQAMPFJ-FGTMMUONSA-N 2 1 345.491 1.151 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000849527725 595559498 /nfs/dbraw/zinc/55/94/98/595559498.db2.gz JXXLWVVTQAMPFJ-FGTMMUONSA-N 2 1 345.491 1.151 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000849527725 595559501 /nfs/dbraw/zinc/55/95/01/595559501.db2.gz JXXLWVVTQAMPFJ-FGTMMUONSA-N 2 1 345.491 1.151 20 0 EDADMP Cn1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(Br)n1 ZINC000858132688 595708673 /nfs/dbraw/zinc/70/86/73/595708673.db2.gz BXJAJZVOCIGCKV-ZDUSSCGKSA-N 2 1 345.285 1.509 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000851752945 595908266 /nfs/dbraw/zinc/90/82/66/595908266.db2.gz PHQYWYGAWMQSGX-HOTGVXAUSA-N 2 1 343.512 1.876 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000851752945 595908267 /nfs/dbraw/zinc/90/82/67/595908267.db2.gz PHQYWYGAWMQSGX-HOTGVXAUSA-N 2 1 343.512 1.876 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000851752945 595908269 /nfs/dbraw/zinc/90/82/69/595908269.db2.gz PHQYWYGAWMQSGX-HOTGVXAUSA-N 2 1 343.512 1.876 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000851752945 595908271 /nfs/dbraw/zinc/90/82/71/595908271.db2.gz PHQYWYGAWMQSGX-HOTGVXAUSA-N 2 1 343.512 1.876 20 0 EDADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000854223552 596007636 /nfs/dbraw/zinc/00/76/36/596007636.db2.gz RSNWPDIRQDGZIV-RYUDHWBXSA-N 2 1 330.416 1.864 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3COCCO3)C2)ccn1 ZINC000856585128 596023839 /nfs/dbraw/zinc/02/38/39/596023839.db2.gz ZPZWTAWTTVUSOP-MSOLQXFVSA-N 2 1 335.448 1.402 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3COCCO3)C2)ccn1 ZINC000856585128 596023844 /nfs/dbraw/zinc/02/38/44/596023844.db2.gz ZPZWTAWTTVUSOP-MSOLQXFVSA-N 2 1 335.448 1.402 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3COCCO3)C2)ccn1 ZINC000856585128 596023848 /nfs/dbraw/zinc/02/38/48/596023848.db2.gz ZPZWTAWTTVUSOP-MSOLQXFVSA-N 2 1 335.448 1.402 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[C@@H]3CCOC3=O)C2)ccn1 ZINC000856590348 596024939 /nfs/dbraw/zinc/02/49/39/596024939.db2.gz SZPTUKBUGMAXTJ-QAPCUYQASA-N 2 1 347.459 1.940 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC[C@@H]3CCOC3=O)C2)ccn1 ZINC000856590348 596024941 /nfs/dbraw/zinc/02/49/41/596024941.db2.gz SZPTUKBUGMAXTJ-QAPCUYQASA-N 2 1 347.459 1.940 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC[C@@H]3CCOC3=O)C2)ccn1 ZINC000856590348 596024943 /nfs/dbraw/zinc/02/49/43/596024943.db2.gz SZPTUKBUGMAXTJ-QAPCUYQASA-N 2 1 347.459 1.940 20 0 EDADMP CC(=O)NCCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856601024 596029895 /nfs/dbraw/zinc/02/98/95/596029895.db2.gz ZMFGATLTPYFMQC-LJQANCHMSA-N 2 1 348.491 1.901 20 0 EDADMP CC(=O)NCCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856601024 596029900 /nfs/dbraw/zinc/02/99/00/596029900.db2.gz ZMFGATLTPYFMQC-LJQANCHMSA-N 2 1 348.491 1.901 20 0 EDADMP CC(=O)NCCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856601024 596029905 /nfs/dbraw/zinc/02/99/05/596029905.db2.gz ZMFGATLTPYFMQC-LJQANCHMSA-N 2 1 348.491 1.901 20 0 EDADMP CC[C@H](NC(=O)N(C)C[C@@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000861611859 596046447 /nfs/dbraw/zinc/04/64/47/596046447.db2.gz ZSJZISFEDDQMJM-BPQIPLTHSA-N 2 1 348.491 1.655 20 0 EDADMP CC[C@H](NC(=O)N(C)C[C@@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000861611859 596046449 /nfs/dbraw/zinc/04/64/49/596046449.db2.gz ZSJZISFEDDQMJM-BPQIPLTHSA-N 2 1 348.491 1.655 20 0 EDADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857123006 596163626 /nfs/dbraw/zinc/16/36/26/596163626.db2.gz UTQIHTHTVZICSG-MOPGFXCFSA-N 2 1 344.503 1.471 20 0 EDADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857123006 596163629 /nfs/dbraw/zinc/16/36/29/596163629.db2.gz UTQIHTHTVZICSG-MOPGFXCFSA-N 2 1 344.503 1.471 20 0 EDADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857123006 596163632 /nfs/dbraw/zinc/16/36/32/596163632.db2.gz UTQIHTHTVZICSG-MOPGFXCFSA-N 2 1 344.503 1.471 20 0 EDADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000866666438 596285014 /nfs/dbraw/zinc/28/50/14/596285014.db2.gz QKTPTWKTEHKILL-ZWKOTPCHSA-N 2 1 330.476 1.692 20 0 EDADMP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709863 596304443 /nfs/dbraw/zinc/30/44/43/596304443.db2.gz MJHBGEZIZUXHEP-DUUOMRMWSA-N 2 1 337.370 1.893 20 0 EDADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709863 596304445 /nfs/dbraw/zinc/30/44/45/596304445.db2.gz MJHBGEZIZUXHEP-DUUOMRMWSA-N 2 1 337.370 1.893 20 0 EDADMP COCC[N@H+]1[C@H](C)CN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000121783997 596517397 /nfs/dbraw/zinc/51/73/97/596517397.db2.gz PSIIETQAZMGJEV-VIQHNZTISA-N 2 1 325.497 1.815 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000121783997 596517400 /nfs/dbraw/zinc/51/74/00/596517400.db2.gz PSIIETQAZMGJEV-VIQHNZTISA-N 2 1 325.497 1.815 20 0 EDADMP C[NH+](C)Cc1cnc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)s1 ZINC000865296346 596531192 /nfs/dbraw/zinc/53/11/92/596531192.db2.gz WZVKNVRGNPMZAR-UHFFFAOYSA-N 3 1 346.504 1.964 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@H]3CC[C@@H](C1)S3)C[NH+]1CCC2CC1 ZINC000863294617 596540885 /nfs/dbraw/zinc/54/08/85/596540885.db2.gz KNHVSRIWIIMMEL-HLLBOEOZSA-N 2 1 337.489 1.830 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CC[C@H]3CC[C@@H](C1)S3)C[NH+]1CCC2CC1 ZINC000863294617 596540887 /nfs/dbraw/zinc/54/08/87/596540887.db2.gz KNHVSRIWIIMMEL-HLLBOEOZSA-N 2 1 337.489 1.830 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000863548576 596614732 /nfs/dbraw/zinc/61/47/32/596614732.db2.gz SJCJNQWDZNTXRG-DLBZAZTESA-N 3 1 336.480 1.119 20 0 EDADMP CC(C)n1cc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cn1 ZINC000863642032 596640744 /nfs/dbraw/zinc/64/07/44/596640744.db2.gz IJRZNQJXMCVVJK-CVEARBPZSA-N 2 1 333.436 1.221 20 0 EDADMP CNC(=O)c1cccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000871786374 596700375 /nfs/dbraw/zinc/70/03/75/596700375.db2.gz ZYDGAGKNWWQCKM-MQVJKMGUSA-N 2 1 330.432 1.917 20 0 EDADMP CNC(=O)c1cccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000871786374 596700378 /nfs/dbraw/zinc/70/03/78/596700378.db2.gz ZYDGAGKNWWQCKM-MQVJKMGUSA-N 2 1 330.432 1.917 20 0 EDADMP O[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC1(O)CCOCC1 ZINC000863969696 596738666 /nfs/dbraw/zinc/73/86/66/596738666.db2.gz YLZWWZKQQVLHKV-DLBZAZTESA-N 2 1 326.481 1.229 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)c1cc[nH+]c(N2CCOCC2)n1 ZINC000865997252 596752487 /nfs/dbraw/zinc/75/24/87/596752487.db2.gz ZQXXGIBCLBMYFG-UHFFFAOYSA-N 2 1 349.479 1.108 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000872146327 596810501 /nfs/dbraw/zinc/81/05/01/596810501.db2.gz LKRIRKLQACGGAJ-JCGIZDLHSA-N 2 1 338.411 1.602 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000872152997 596814292 /nfs/dbraw/zinc/81/42/92/596814292.db2.gz XSYMBWBKOLMTIF-CABCVRRESA-N 3 1 336.446 1.472 20 0 EDADMP CC(C)[NH+]1CCN(CCCN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000872152997 596814293 /nfs/dbraw/zinc/81/42/93/596814293.db2.gz XSYMBWBKOLMTIF-CABCVRRESA-N 2 1 336.446 1.472 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866262749 596841226 /nfs/dbraw/zinc/84/12/26/596841226.db2.gz FUGQGLRCFBAOJH-IEBWSBKVSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000874170429 596950388 /nfs/dbraw/zinc/95/03/88/596950388.db2.gz MBGSACKLAFMNCB-NVXWUHKLSA-N 2 1 344.459 1.239 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N(C)CC[NH+](C)C)C1 ZINC000876089841 597085155 /nfs/dbraw/zinc/08/51/55/597085155.db2.gz RSWNOMTYZAYNAX-SFHVURJKSA-N 2 1 348.491 1.399 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N(C)CC[NH+](C)C)C1 ZINC000876089841 597085157 /nfs/dbraw/zinc/08/51/57/597085157.db2.gz RSWNOMTYZAYNAX-SFHVURJKSA-N 2 1 348.491 1.399 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000874846297 597198689 /nfs/dbraw/zinc/19/86/89/597198689.db2.gz XYBTZDSLSBNRLL-GUDVDZBRSA-N 2 1 342.487 1.989 20 0 EDADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000874846297 597198692 /nfs/dbraw/zinc/19/86/92/597198692.db2.gz XYBTZDSLSBNRLL-GUDVDZBRSA-N 2 1 342.487 1.989 20 0 EDADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000874846297 597198695 /nfs/dbraw/zinc/19/86/95/597198695.db2.gz XYBTZDSLSBNRLL-GUDVDZBRSA-N 2 1 342.487 1.989 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)C1 ZINC000876519084 597228167 /nfs/dbraw/zinc/22/81/67/597228167.db2.gz RTIOPYHROIPWDU-AWEZNQCLSA-N 2 1 345.443 1.876 20 0 EDADMP COc1cnc(F)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000876646353 597273193 /nfs/dbraw/zinc/27/31/93/597273193.db2.gz UXDGLKKSWFHGFN-UHFFFAOYSA-N 2 1 338.427 1.119 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H](F)[C@@H]3CC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000876776520 597336232 /nfs/dbraw/zinc/33/62/32/597336232.db2.gz PHRNRLAYNBIPFN-CZUORRHYSA-N 2 1 335.427 1.126 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](N)C[NH+](C)C)cc2)C1 ZINC000876777721 597337243 /nfs/dbraw/zinc/33/72/43/597337243.db2.gz PQVDAJAZPGYRKR-YOEHRIQHSA-N 2 1 334.464 1.235 20 0 EDADMP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876853664 597359485 /nfs/dbraw/zinc/35/94/85/597359485.db2.gz NUQWNDXNQBMOAU-LLVKDONJSA-N 2 1 344.431 1.598 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876897719 597375626 /nfs/dbraw/zinc/37/56/26/597375626.db2.gz VDNWTQLNKNOTHP-KSZLIROESA-N 2 1 349.450 1.341 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151769 597443874 /nfs/dbraw/zinc/44/38/74/597443874.db2.gz RESWZQFTLCYHMO-IRXDYDNUSA-N 2 1 332.492 1.340 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151769 597443878 /nfs/dbraw/zinc/44/38/78/597443878.db2.gz RESWZQFTLCYHMO-IRXDYDNUSA-N 2 1 332.492 1.340 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000877230251 597469741 /nfs/dbraw/zinc/46/97/41/597469741.db2.gz YMMIQKHJVXJLKO-IRXDYDNUSA-N 2 1 331.460 1.310 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000877230251 597469743 /nfs/dbraw/zinc/46/97/43/597469743.db2.gz YMMIQKHJVXJLKO-IRXDYDNUSA-N 2 1 331.460 1.310 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH3+])C1 ZINC000877236492 597473522 /nfs/dbraw/zinc/47/35/22/597473522.db2.gz BGUMRNBDEFWTIY-KSZLIROESA-N 2 1 331.460 1.823 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cn(C[C@@H]4CCCO4)nn3)C2)CC1 ZINC000877528488 597531277 /nfs/dbraw/zinc/53/12/77/597531277.db2.gz BLHQJCGJQOIUAL-WMZOPIPTSA-N 2 1 333.480 1.621 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000883062049 597636375 /nfs/dbraw/zinc/63/63/75/597636375.db2.gz PJJBAWPIAPGQQT-DOTOQJQBSA-N 2 1 334.464 1.691 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](C[C@H]3CCC4(CCOCC4)O3)C2)nn1 ZINC000883431742 597744129 /nfs/dbraw/zinc/74/41/29/597744129.db2.gz CMDFDFMNOARBBF-JKSUJKDBSA-N 2 1 335.452 1.102 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@H]3CCC4(CCOCC4)O3)C2)C1 ZINC000883434374 597744734 /nfs/dbraw/zinc/74/47/34/597744734.db2.gz PBSKZMMLJRHJOY-MLHJIOFPSA-N 2 1 338.492 1.933 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC[N@H+]1C ZINC000883457473 597756315 /nfs/dbraw/zinc/75/63/15/597756315.db2.gz DYJSUQROPADLBL-OWCLPIDISA-N 2 1 331.464 1.784 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883489576 597773186 /nfs/dbraw/zinc/77/31/86/597773186.db2.gz OFCSAOXFAQWGIZ-UHFFFAOYSA-N 2 1 340.512 1.661 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(C)(C)O)C2)CC1 ZINC000879962615 597786569 /nfs/dbraw/zinc/78/65/69/597786569.db2.gz UXAANRJMKDCMCZ-HNNXBMFYSA-N 2 1 325.497 1.458 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCCON1C(=O)c2ccccc2C1=O ZINC000880142752 597855577 /nfs/dbraw/zinc/85/55/77/597855577.db2.gz UESIJMXBAXQFCM-DLBZAZTESA-N 2 1 343.427 1.773 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncc(C=O)cn1 ZINC000882063241 597857103 /nfs/dbraw/zinc/85/71/03/597857103.db2.gz JWTGAPLKMNXKJU-UHFFFAOYSA-N 2 1 345.491 1.922 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C(C)(C)O)C1)c1ccccc1 ZINC000880147957 597857655 /nfs/dbraw/zinc/85/76/55/597857655.db2.gz MQXJCXRAZZMMSX-IRXDYDNUSA-N 2 1 333.476 1.498 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000129587529 597932480 /nfs/dbraw/zinc/93/24/80/597932480.db2.gz ZVLKTXDJIPOPQS-IYBDPMFKSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000129587529 597932485 /nfs/dbraw/zinc/93/24/85/597932485.db2.gz ZVLKTXDJIPOPQS-IYBDPMFKSA-N 2 1 328.501 1.469 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)Nc2ccc(N3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000882392720 597955187 /nfs/dbraw/zinc/95/51/87/597955187.db2.gz ROCAELVROOKIAE-MAUKXSAKSA-N 2 1 328.460 1.861 20 0 EDADMP C[NH+]1CC[C@H](C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000882392720 597955188 /nfs/dbraw/zinc/95/51/88/597955188.db2.gz ROCAELVROOKIAE-MAUKXSAKSA-N 2 1 328.460 1.861 20 0 EDADMP C[NH+]1CC[C@H](C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000882392720 597955190 /nfs/dbraw/zinc/95/51/90/597955190.db2.gz ROCAELVROOKIAE-MAUKXSAKSA-N 2 1 328.460 1.861 20 0 EDADMP CC[NH+]1CCC(NC(=O)Cn2cc(C[NH+]3CCC(C)CC3)nn2)CC1 ZINC000883993958 597964875 /nfs/dbraw/zinc/96/48/75/597964875.db2.gz GLIKKQCTPLUUTF-UHFFFAOYSA-N 2 1 348.495 1.111 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000882486738 597973644 /nfs/dbraw/zinc/97/36/44/597973644.db2.gz VNVITMMJWCWZHT-AEFFLSMTSA-N 2 1 331.460 1.395 20 0 EDADMP CCN1CC[C@@H]1CNC(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000882486738 597973646 /nfs/dbraw/zinc/97/36/46/597973646.db2.gz VNVITMMJWCWZHT-AEFFLSMTSA-N 2 1 331.460 1.395 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)ccn1 ZINC000880614711 597982480 /nfs/dbraw/zinc/98/24/80/597982480.db2.gz JEYUEYOBIIOOKZ-AWEZNQCLSA-N 2 1 335.452 1.110 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)ccn1 ZINC000880614711 597982481 /nfs/dbraw/zinc/98/24/81/597982481.db2.gz JEYUEYOBIIOOKZ-AWEZNQCLSA-N 2 1 335.452 1.110 20 0 EDADMP COCC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884207767 598029861 /nfs/dbraw/zinc/02/98/61/598029861.db2.gz FXTHCWPJCZDIMV-CYBMUJFWSA-N 2 1 333.354 1.400 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884207767 598029863 /nfs/dbraw/zinc/02/98/63/598029863.db2.gz FXTHCWPJCZDIMV-CYBMUJFWSA-N 2 1 333.354 1.400 20 0 EDADMP CN(C(=O)[C@H]([NH3+])Cc1cc2ccccc2o1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884213209 598031650 /nfs/dbraw/zinc/03/16/50/598031650.db2.gz WAQVBEWCGNEBQU-NVXWUHKLSA-N 2 1 327.428 1.998 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000914069732 695065455 /nfs/dbraw/zinc/06/54/55/695065455.db2.gz ZITFCMQGYFRFIA-ZBFHGGJFSA-N 2 1 326.485 1.269 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1CN(CC[C@@H]2CCOC2)C1 ZINC001031234695 695929686 /nfs/dbraw/zinc/92/96/86/695929686.db2.gz GQKYSFZEEGILFQ-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001031234695 695929688 /nfs/dbraw/zinc/92/96/88/695929688.db2.gz GQKYSFZEEGILFQ-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001031234695 695929690 /nfs/dbraw/zinc/92/96/90/695929690.db2.gz GQKYSFZEEGILFQ-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000915642957 695961980 /nfs/dbraw/zinc/96/19/80/695961980.db2.gz JMYIUZRVLSYQJS-IKGGRYGDSA-N 2 1 341.521 1.361 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000915733433 695978947 /nfs/dbraw/zinc/97/89/47/695978947.db2.gz CNCFWCREHGCMCG-ZACQAIPSSA-N 2 1 340.512 1.253 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000915763268 695985356 /nfs/dbraw/zinc/98/53/56/695985356.db2.gz NUCGONODGGPBKM-CVEARBPZSA-N 2 1 331.526 1.512 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000915763268 695985357 /nfs/dbraw/zinc/98/53/57/695985357.db2.gz NUCGONODGGPBKM-CVEARBPZSA-N 2 1 331.526 1.512 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](CCc2ccnn2C)[C@H]1C ZINC000993602880 696253481 /nfs/dbraw/zinc/25/34/81/696253481.db2.gz BMQMHVSDFQQEQV-DOTOQJQBSA-N 2 1 344.463 1.137 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](CCc2ccnn2C)[C@H]1C ZINC000993602880 696253482 /nfs/dbraw/zinc/25/34/82/696253482.db2.gz BMQMHVSDFQQEQV-DOTOQJQBSA-N 2 1 344.463 1.137 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@H+]1CCn1cncn1 ZINC000993669270 696298397 /nfs/dbraw/zinc/29/83/97/696298397.db2.gz AFXISHODKVAADT-CVEARBPZSA-N 2 1 348.495 1.122 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccccn1 ZINC000993767069 696363704 /nfs/dbraw/zinc/36/37/04/696363704.db2.gz XPLAZIIPQQOGPN-QAPCUYQASA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCO)[C@@H]2C)CC1 ZINC000994135161 696529817 /nfs/dbraw/zinc/52/98/17/696529817.db2.gz QGUYETOLTJLNBC-WBVHZDCISA-N 2 1 325.497 1.458 20 0 EDADMP CC[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000916008799 696611185 /nfs/dbraw/zinc/61/11/85/696611185.db2.gz WDBHSJAXODROAB-HNNXBMFYSA-N 2 1 328.526 1.047 20 0 EDADMP Cc1cncc(C[N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)c1 ZINC000994246102 696626094 /nfs/dbraw/zinc/62/60/94/696626094.db2.gz ASOMCPWDCISASW-SJLPKXTDSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1ncoc1C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994257078 696664763 /nfs/dbraw/zinc/66/47/63/696664763.db2.gz SMBPGBONJFSAFZ-HUUCEWRRSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994257078 696664766 /nfs/dbraw/zinc/66/47/66/696664766.db2.gz SMBPGBONJFSAFZ-HUUCEWRRSA-N 2 1 332.448 1.548 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1cccnc1 ZINC000994261242 696675086 /nfs/dbraw/zinc/67/50/86/696675086.db2.gz ZUTJBLISCVOBLA-NVXWUHKLSA-N 2 1 328.460 1.647 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1Cc1cccnc1 ZINC000994261242 696675088 /nfs/dbraw/zinc/67/50/88/696675088.db2.gz ZUTJBLISCVOBLA-NVXWUHKLSA-N 2 1 328.460 1.647 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)s1 ZINC000940008367 700109807 /nfs/dbraw/zinc/10/98/07/700109807.db2.gz KSTZOGQIEDKVRU-CYBMUJFWSA-N 2 1 337.493 1.411 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000916895823 696813854 /nfs/dbraw/zinc/81/38/54/696813854.db2.gz PZBKVGZBQHCRPK-QGZVFWFLSA-N 2 1 346.475 1.147 20 0 EDADMP CCn1cc(CC[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)cn1 ZINC000994404134 696827343 /nfs/dbraw/zinc/82/73/43/696827343.db2.gz DZNFTEKNPVJLRK-SJLPKXTDSA-N 2 1 347.507 1.510 20 0 EDADMP CCn1cc(CC[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)cn1 ZINC000994404134 696827345 /nfs/dbraw/zinc/82/73/45/696827345.db2.gz DZNFTEKNPVJLRK-SJLPKXTDSA-N 2 1 347.507 1.510 20 0 EDADMP CCCc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001031594951 697294839 /nfs/dbraw/zinc/29/48/39/697294839.db2.gz OZMOKOXYEXVKFV-IBGZPJMESA-N 2 1 345.487 1.518 20 0 EDADMP CCCc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001031594951 697294840 /nfs/dbraw/zinc/29/48/40/697294840.db2.gz OZMOKOXYEXVKFV-IBGZPJMESA-N 2 1 345.487 1.518 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001031596817 697297355 /nfs/dbraw/zinc/29/73/55/697297355.db2.gz PMMPHIYZGIBAEQ-HUUCEWRRSA-N 2 1 345.434 1.191 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001031596817 697297357 /nfs/dbraw/zinc/29/73/57/697297357.db2.gz PMMPHIYZGIBAEQ-HUUCEWRRSA-N 2 1 345.434 1.191 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000920265060 697416979 /nfs/dbraw/zinc/41/69/79/697416979.db2.gz AOFQIDPPCXVDNX-QGZVFWFLSA-N 2 1 349.479 1.524 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000920265060 697416982 /nfs/dbraw/zinc/41/69/82/697416982.db2.gz AOFQIDPPCXVDNX-QGZVFWFLSA-N 2 1 349.479 1.524 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668308 697460092 /nfs/dbraw/zinc/46/00/92/697460092.db2.gz DAWDKNWNPDSKGH-RDJZCZTQSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668308 697460095 /nfs/dbraw/zinc/46/00/95/697460095.db2.gz DAWDKNWNPDSKGH-RDJZCZTQSA-N 2 1 332.448 1.405 20 0 EDADMP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031669336 697464405 /nfs/dbraw/zinc/46/44/05/697464405.db2.gz IALLTGSEESALSG-MOPGFXCFSA-N 2 1 349.519 1.726 20 0 EDADMP O=C(NCC1C[NH+](CC2CCOCC2)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031669733 697465332 /nfs/dbraw/zinc/46/53/32/697465332.db2.gz RZQLFMOIYSTCLX-QZTJIDSGSA-N 2 1 335.492 1.335 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)cc1 ZINC001031688270 697519895 /nfs/dbraw/zinc/51/98/95/697519895.db2.gz BYKAGXVVYKVJQU-RBUKOAKNSA-N 2 1 343.471 1.406 20 0 EDADMP O=C(NCC1C[NH+](CC2=CCCCC2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031689344 697530954 /nfs/dbraw/zinc/53/09/54/697530954.db2.gz TXDKJHMRVIRNCZ-ROUUACIJSA-N 2 1 333.476 1.398 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000921330842 697558262 /nfs/dbraw/zinc/55/82/62/697558262.db2.gz QVLHJDAJAJGQLV-XUWVNRHRSA-N 2 1 340.537 1.738 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001031715544 697737675 /nfs/dbraw/zinc/73/76/75/697737675.db2.gz VGHNEWCODJDZGH-SJLPKXTDSA-N 2 1 337.508 1.726 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001031713834 697739605 /nfs/dbraw/zinc/73/96/05/697739605.db2.gz GHGSRDGQYUWWKC-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP O=C(NCC1C[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001031727228 697877845 /nfs/dbraw/zinc/87/78/45/697877845.db2.gz CIZMRGYSADOMJM-IBGZPJMESA-N 2 1 349.519 1.868 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnns2)C1 ZINC000995038071 700196226 /nfs/dbraw/zinc/19/62/26/700196226.db2.gz PRSFLBYGFXUZCS-STQMWFEESA-N 2 1 334.449 1.118 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3ncccn3)CC2)CC[N@H+]1C ZINC000940119122 700252456 /nfs/dbraw/zinc/25/24/56/700252456.db2.gz AKEORLSWAKKSQD-HUUCEWRRSA-N 2 1 331.464 1.288 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]C[C@@H]3CCCOC3)CC2)CC[N@H+]1C ZINC000940119283 700252559 /nfs/dbraw/zinc/25/25/59/700252559.db2.gz FFFQHIGCGZGMQA-IXDOHACOSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)c1 ZINC001031765872 699059022 /nfs/dbraw/zinc/05/90/22/699059022.db2.gz SJIOZMXJZJVLKG-VQIMIIECSA-N 2 1 345.487 1.571 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)c1 ZINC001031765872 699059025 /nfs/dbraw/zinc/05/90/25/699059025.db2.gz SJIOZMXJZJVLKG-VQIMIIECSA-N 2 1 345.487 1.571 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031774468 699146136 /nfs/dbraw/zinc/14/61/36/699146136.db2.gz YYALHOSPNAXDQW-LJQANCHMSA-N 2 1 344.503 1.785 20 0 EDADMP C[C@@H](F)CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941567058 701579680 /nfs/dbraw/zinc/57/96/80/701579680.db2.gz PQNVDGORQRMGSV-CVEARBPZSA-N 2 1 340.487 1.047 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000939236987 699406532 /nfs/dbraw/zinc/40/65/32/699406532.db2.gz SXKNFESXGHTDDI-GOEBONIOSA-N 2 1 344.463 1.377 20 0 EDADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ncccn1 ZINC000939259749 699437603 /nfs/dbraw/zinc/43/76/03/699437603.db2.gz WIUJHQZPTALTGB-GDBMZVCRSA-N 2 1 331.464 1.145 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)c(C)n1 ZINC001031813465 699501904 /nfs/dbraw/zinc/50/19/04/699501904.db2.gz UGRSHEQTRFAVLC-UHFFFAOYSA-N 2 1 342.487 1.875 20 0 EDADMP CC1CC(C[NH+]2CC(N3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)CC3)C2)C1 ZINC000941639687 701603111 /nfs/dbraw/zinc/60/31/11/701603111.db2.gz VCUFOZWWVBGAPG-LXPRWKDFSA-N 2 1 348.535 1.203 20 0 EDADMP Cc1nccn1CCCC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000069576559 699713281 /nfs/dbraw/zinc/71/32/81/699713281.db2.gz BNSIJQBPKIMNFI-MRXNPFEDSA-N 2 1 349.479 1.031 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000069576559 699713284 /nfs/dbraw/zinc/71/32/84/699713284.db2.gz BNSIJQBPKIMNFI-MRXNPFEDSA-N 2 1 349.479 1.031 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2CN(CC=C(C)C)C2)CC1 ZINC000941675086 701614873 /nfs/dbraw/zinc/61/48/73/701614873.db2.gz SNHXDXANGIMYEW-IBGZPJMESA-N 2 1 348.535 1.655 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2C[NH+](CC=C(C)C)C2)CC1 ZINC000941675086 701614875 /nfs/dbraw/zinc/61/48/75/701614875.db2.gz SNHXDXANGIMYEW-IBGZPJMESA-N 2 1 348.535 1.655 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000940327490 700504165 /nfs/dbraw/zinc/50/41/65/700504165.db2.gz FGPNCZTXRLWNPI-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC000940327625 700504845 /nfs/dbraw/zinc/50/48/45/700504845.db2.gz LHCVLMKGQWQWNU-WMLDXEAASA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000940327993 700505633 /nfs/dbraw/zinc/50/56/33/700505633.db2.gz BWNSMDNALXHHLI-UKRRQHHQSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)oc1C ZINC000940328357 700506585 /nfs/dbraw/zinc/50/65/85/700506585.db2.gz HPEZQEIZFDDRLS-BBRMVZONSA-N 2 1 348.491 1.960 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3cncs3)CC2)C1 ZINC000940328392 700506846 /nfs/dbraw/zinc/50/68/46/700506846.db2.gz IPPMLNWPDFDDGX-CQSZACIVSA-N 2 1 336.505 1.956 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000940426736 700620522 /nfs/dbraw/zinc/62/05/22/700620522.db2.gz ZRGAZNOCBOVFKO-INIZCTEOSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC000940471950 700657248 /nfs/dbraw/zinc/65/72/48/700657248.db2.gz CVWFUOVJJIFILU-KBPBESRZSA-N 2 1 349.479 1.722 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940457544 700661107 /nfs/dbraw/zinc/66/11/07/700661107.db2.gz KBNAWSZKGXCFKO-HNNXBMFYSA-N 2 1 348.491 1.968 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nnc(C4CC4)[nH]3)CC2)C1 ZINC000940461925 700665607 /nfs/dbraw/zinc/66/56/07/700665607.db2.gz RQXVWLPLKVEZKS-CQSZACIVSA-N 2 1 346.479 1.105 20 0 EDADMP Cc1noc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995078504 700669771 /nfs/dbraw/zinc/66/97/71/700669771.db2.gz KHSUSQWYMFXTPT-DZGCQCFKSA-N 2 1 335.452 1.094 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCCO)CC2(C)C)C1 ZINC000940800312 700917276 /nfs/dbraw/zinc/91/72/76/700917276.db2.gz YHMYWRFAALOLFR-IRXDYDNUSA-N 2 1 339.524 1.563 20 0 EDADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCCO)CC2(C)C)C1 ZINC000940800312 700917277 /nfs/dbraw/zinc/91/72/77/700917277.db2.gz YHMYWRFAALOLFR-IRXDYDNUSA-N 2 1 339.524 1.563 20 0 EDADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCCO)CC2(C)C)C1 ZINC000940800312 700917279 /nfs/dbraw/zinc/91/72/79/700917279.db2.gz YHMYWRFAALOLFR-IRXDYDNUSA-N 2 1 339.524 1.563 20 0 EDADMP Cc1cncn1CC(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)CC1(C)C ZINC000940894042 700963526 /nfs/dbraw/zinc/96/35/26/700963526.db2.gz VZDIFUQZXAUGMD-QGZVFWFLSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)CC1(C)C ZINC000940894042 700963527 /nfs/dbraw/zinc/96/35/27/700963527.db2.gz VZDIFUQZXAUGMD-QGZVFWFLSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)CC1(C)C ZINC000940894042 700963528 /nfs/dbraw/zinc/96/35/28/700963528.db2.gz VZDIFUQZXAUGMD-QGZVFWFLSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1noc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC000995110482 700998471 /nfs/dbraw/zinc/99/84/71/700998471.db2.gz ZANNMSUSSULWJL-CABCVRRESA-N 2 1 349.479 1.484 20 0 EDADMP Cc1noc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC000995110482 700998472 /nfs/dbraw/zinc/99/84/72/700998472.db2.gz ZANNMSUSSULWJL-CABCVRRESA-N 2 1 349.479 1.484 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CC[C@H]3CCCO3)C2)C1 ZINC001031918831 701037372 /nfs/dbraw/zinc/03/73/72/701037372.db2.gz IIBYXCWGKBJQPM-QZTJIDSGSA-N 2 1 337.508 1.726 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CN(Cc3cnc(C)o3)C2)C1 ZINC001031919078 701041540 /nfs/dbraw/zinc/04/15/40/701041540.db2.gz MJDFGQUUJXNRDQ-MRXNPFEDSA-N 2 1 334.464 1.653 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000941026469 701065618 /nfs/dbraw/zinc/06/56/18/701065618.db2.gz KMQATNIZSNINQU-RDTXWAMCSA-N 2 1 343.487 1.408 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3cccc(C)c3)C2)C1 ZINC001032197360 701691970 /nfs/dbraw/zinc/69/19/70/701691970.db2.gz JITIKFHMCYYNIW-SFHVURJKSA-N 2 1 331.460 1.264 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3cccc(C)c3)C2)C1 ZINC001032197360 701691971 /nfs/dbraw/zinc/69/19/71/701691971.db2.gz JITIKFHMCYYNIW-SFHVURJKSA-N 2 1 331.460 1.264 20 0 EDADMP CC1(C)C[N@@H+](CCOC2CCC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166981 701377746 /nfs/dbraw/zinc/37/77/46/701377746.db2.gz NTKYRMVBXYIBMP-QGZVFWFLSA-N 2 1 349.519 1.868 20 0 EDADMP Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)cn1 ZINC000941215433 701401729 /nfs/dbraw/zinc/40/17/29/701401729.db2.gz SDJRYYJQGAAJFE-QGZVFWFLSA-N 2 1 347.507 1.275 20 0 EDADMP Cc1nonc1CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941215789 701402035 /nfs/dbraw/zinc/40/20/35/701402035.db2.gz AYUWDPOGAYWTDJ-ZFWWWQNUSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)o1 ZINC000941217142 701403455 /nfs/dbraw/zinc/40/34/55/701403455.db2.gz KCNLXJQDZMXAPE-RDJZCZTQSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941217142 701403456 /nfs/dbraw/zinc/40/34/56/701403456.db2.gz KCNLXJQDZMXAPE-RDJZCZTQSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941217142 701403458 /nfs/dbraw/zinc/40/34/58/701403458.db2.gz KCNLXJQDZMXAPE-RDJZCZTQSA-N 2 1 348.491 1.960 20 0 EDADMP CCc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC000999170367 706599758 /nfs/dbraw/zinc/59/97/58/706599758.db2.gz PLEROJMVNXRZPF-WBVHZDCISA-N 2 1 346.475 1.659 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCC3CCCCC3)C2)C1 ZINC001032201558 701870168 /nfs/dbraw/zinc/87/01/68/701870168.db2.gz IAQYYEWEZRCCMJ-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCC3CCCCC3)C2)C1 ZINC001032201558 701870171 /nfs/dbraw/zinc/87/01/71/701870171.db2.gz IAQYYEWEZRCCMJ-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCCC2CCOCC2)C1 ZINC001031976517 701965194 /nfs/dbraw/zinc/96/51/94/701965194.db2.gz NODBGXIIJRKUFV-YJBOKZPZSA-N 2 1 337.508 1.439 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(CO)cc3)C2)CC[N@H+]1C ZINC000999189266 706631561 /nfs/dbraw/zinc/63/15/61/706631561.db2.gz JTMBMHFWGDJSIX-ATZDWAIDSA-N 2 1 345.487 1.600 20 0 EDADMP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccn1 ZINC000999189937 706632291 /nfs/dbraw/zinc/63/22/91/706632291.db2.gz OPULYZNFTPBYAK-HYVNUMGLSA-N 2 1 346.475 1.511 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cc1F ZINC001031979065 702041386 /nfs/dbraw/zinc/04/13/86/702041386.db2.gz YDAJQAKMQAROFD-BBRMVZONSA-N 2 1 349.450 1.580 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1F ZINC001031979065 702041394 /nfs/dbraw/zinc/04/13/94/702041394.db2.gz YDAJQAKMQAROFD-BBRMVZONSA-N 2 1 349.450 1.580 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000995805221 702049989 /nfs/dbraw/zinc/04/99/89/702049989.db2.gz TWTVNASJAMEUJM-HUUCEWRRSA-N 2 1 335.452 1.269 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000995805221 702049996 /nfs/dbraw/zinc/04/99/96/702049996.db2.gz TWTVNASJAMEUJM-HUUCEWRRSA-N 2 1 335.452 1.269 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001032205715 702093995 /nfs/dbraw/zinc/09/39/95/702093995.db2.gz GJNBXRIPEKBGMS-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)c(C)o1 ZINC000995831964 702107865 /nfs/dbraw/zinc/10/78/65/702107865.db2.gz MMTFIVPJKQRVEO-VMGRFDJRSA-N 2 1 348.491 1.958 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)c(C)o1 ZINC000995831964 702107869 /nfs/dbraw/zinc/10/78/69/702107869.db2.gz MMTFIVPJKQRVEO-VMGRFDJRSA-N 2 1 348.491 1.958 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001032205938 702111551 /nfs/dbraw/zinc/11/15/51/702111551.db2.gz MWWPHRUUIUJMJA-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001032206099 702128370 /nfs/dbraw/zinc/12/83/70/702128370.db2.gz RMZMUNIZYUKDBR-HUUCEWRRSA-N 2 1 345.434 1.333 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001032206099 702128372 /nfs/dbraw/zinc/12/83/72/702128372.db2.gz RMZMUNIZYUKDBR-HUUCEWRRSA-N 2 1 345.434 1.333 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nccnc3C)C2)CC[N@H+]1C ZINC000999200686 706644811 /nfs/dbraw/zinc/64/48/11/706644811.db2.gz OIFSKICVHFUZHO-SOLBZPMBSA-N 2 1 345.491 1.596 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C)c1nncn1C ZINC000995886917 702224288 /nfs/dbraw/zinc/22/42/88/702224288.db2.gz LRZDYDLKFFDEAV-ZIAGYGMSSA-N 2 1 348.495 1.187 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnccc2C)C1 ZINC000995192470 702306880 /nfs/dbraw/zinc/30/68/80/702306880.db2.gz CHPBLMXLLCAFQN-AEFFLSMTSA-N 2 1 341.459 1.970 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995982904 702341939 /nfs/dbraw/zinc/34/19/39/702341939.db2.gz QPXQOIFSQORAMB-IRXDYDNUSA-N 2 1 347.507 1.714 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)s1 ZINC000944154713 702446061 /nfs/dbraw/zinc/44/60/61/702446061.db2.gz LPINPDRZKZVJOJ-CJNGLKHVSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2snnc2C)C(C)(C)C1 ZINC000996042184 702458488 /nfs/dbraw/zinc/45/84/88/702458488.db2.gz KKZRBTDADXRCBG-CQSZACIVSA-N 2 1 348.476 1.378 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2cncc(F)c2)C(C)(C)C1 ZINC000996042856 702460327 /nfs/dbraw/zinc/46/03/27/702460327.db2.gz NERCNPITOQEGAK-MRXNPFEDSA-N 2 1 345.422 1.752 20 0 EDADMP C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000942054212 702500482 /nfs/dbraw/zinc/50/04/82/702500482.db2.gz WODKHJSVPVGAGY-JKSUJKDBSA-N 2 1 325.497 1.460 20 0 EDADMP Cc1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)s1 ZINC000995203301 702599185 /nfs/dbraw/zinc/59/91/85/702599185.db2.gz XCSAYKXENBPDNN-ZIAGYGMSSA-N 2 1 348.476 1.426 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2nccn2C)C(C)(C)C1 ZINC000996300862 702692759 /nfs/dbraw/zinc/69/27/59/702692759.db2.gz OWCKBRNRHGOOJT-LSDHHAIUSA-N 2 1 333.480 1.231 20 0 EDADMP CCc1noc(CN[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)n1 ZINC000996301172 702692960 /nfs/dbraw/zinc/69/29/60/702692960.db2.gz RCRDMUOIPDDENR-KBPBESRZSA-N 2 1 349.479 1.443 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NCc2ncccn2)C(C)(C)C1 ZINC000996301476 702693539 /nfs/dbraw/zinc/69/35/39/702693539.db2.gz UDUULIYMWLVKEE-HUUCEWRRSA-N 2 1 331.464 1.288 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000996301476 702693542 /nfs/dbraw/zinc/69/35/42/702693542.db2.gz UDUULIYMWLVKEE-HUUCEWRRSA-N 2 1 331.464 1.288 20 0 EDADMP Cc1cc(CN[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)no1 ZINC000996301462 702693574 /nfs/dbraw/zinc/69/35/74/702693574.db2.gz TXVHOLXWYHACKM-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)no1 ZINC000996301462 702693577 /nfs/dbraw/zinc/69/35/77/702693577.db2.gz TXVHOLXWYHACKM-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996302568 702694507 /nfs/dbraw/zinc/69/45/07/702694507.db2.gz XGTITCQZNDOWJJ-WBVHZDCISA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996302677 702694936 /nfs/dbraw/zinc/69/49/36/702694936.db2.gz YRHWRBZSQJPFCE-ZFWWWQNUSA-N 2 1 336.505 1.954 20 0 EDADMP CC(C)c1noc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995213034 702707884 /nfs/dbraw/zinc/70/78/84/702707884.db2.gz PPEMUZYRZFLHRA-LSDHHAIUSA-N 2 1 349.479 1.663 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)on1 ZINC000996462904 702790560 /nfs/dbraw/zinc/79/05/60/702790560.db2.gz CMMCINRIHINPPZ-KRWDZBQOSA-N 2 1 334.464 1.936 20 0 EDADMP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996475539 702807566 /nfs/dbraw/zinc/80/75/66/702807566.db2.gz CBYWEQOHFXKUQZ-YOEHRIQHSA-N 2 1 332.448 1.630 20 0 EDADMP Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996475591 702807845 /nfs/dbraw/zinc/80/78/45/702807845.db2.gz CLWAHCLMLJYMEJ-DOTOQJQBSA-N 2 1 345.491 1.375 20 0 EDADMP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1cscn1 ZINC000996518372 702853702 /nfs/dbraw/zinc/85/37/02/702853702.db2.gz DPNYZGTXLOBFSM-AWEZNQCLSA-N 2 1 334.489 1.566 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996519179 702854961 /nfs/dbraw/zinc/85/49/61/702854961.db2.gz NOZFZTJMAJZTHV-ZBFHGGJFSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+][C@H](C)c2cnccn2)C(C)(C)C1 ZINC000996610676 702915794 /nfs/dbraw/zinc/91/57/94/702915794.db2.gz JROVQYILJVDXJM-CJNGLKHVSA-N 2 1 342.447 1.569 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996609494 702920666 /nfs/dbraw/zinc/92/06/66/702920666.db2.gz UKGUGOLLODVQHZ-RHSMWYFYSA-N 2 1 346.475 1.511 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3coc(C4CC4)n3)C(C)(C)C2)C1 ZINC000996618499 702925052 /nfs/dbraw/zinc/92/50/52/702925052.db2.gz XKJHEAOFDLTFPG-HOCLYGCPSA-N 2 1 346.475 1.830 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3coc(C4CC4)n3)C(C)(C)C2)C1 ZINC000996618499 702925055 /nfs/dbraw/zinc/92/50/55/702925055.db2.gz XKJHEAOFDLTFPG-HOCLYGCPSA-N 2 1 346.475 1.830 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996646943 702948744 /nfs/dbraw/zinc/94/87/44/702948744.db2.gz USAXIBFYVOCFJS-AWEZNQCLSA-N 2 1 337.493 1.493 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996662071 702959471 /nfs/dbraw/zinc/95/94/71/702959471.db2.gz OQRHNZGHGWYGGX-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)o1 ZINC000996666392 702963341 /nfs/dbraw/zinc/96/33/41/702963341.db2.gz QYOBHPFKMOVWPZ-UHFFFAOYSA-N 2 1 349.479 1.758 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)o1 ZINC000996666392 702963342 /nfs/dbraw/zinc/96/33/42/702963342.db2.gz QYOBHPFKMOVWPZ-UHFFFAOYSA-N 2 1 349.479 1.758 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000996674605 702969642 /nfs/dbraw/zinc/96/96/42/702969642.db2.gz UZMPPWBGYRBPLH-HZPDHXFCSA-N 2 1 348.495 1.016 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000996674605 702969644 /nfs/dbraw/zinc/96/96/44/702969644.db2.gz UZMPPWBGYRBPLH-HZPDHXFCSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)on1 ZINC000996688200 702985232 /nfs/dbraw/zinc/98/52/32/702985232.db2.gz GOURVSIXGWRFLY-MRXNPFEDSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cncc(C)c2)C[C@H]1C ZINC000942518088 703012263 /nfs/dbraw/zinc/01/22/63/703012263.db2.gz LXJDTQNDFLRZRH-CRAIPNDOSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cncc(C)c2)C[C@H]1C ZINC000942518088 703012265 /nfs/dbraw/zinc/01/22/65/703012265.db2.gz LXJDTQNDFLRZRH-CRAIPNDOSA-N 2 1 341.459 1.922 20 0 EDADMP C[C@H]1C[N@H+](CCCF)CC[C@@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000942520190 703021762 /nfs/dbraw/zinc/02/17/62/703021762.db2.gz BJHYPCCJHXKSHP-GJZGRUSLSA-N 2 1 336.455 1.948 20 0 EDADMP C[C@H]1C[N@@H+](CCCF)CC[C@@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000942520190 703021765 /nfs/dbraw/zinc/02/17/65/703021765.db2.gz BJHYPCCJHXKSHP-GJZGRUSLSA-N 2 1 336.455 1.948 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596676 703111450 /nfs/dbraw/zinc/11/14/50/703111450.db2.gz DTJBEDRGSQZXRN-KSSFIOAISA-N 2 1 348.466 1.889 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596676 703111453 /nfs/dbraw/zinc/11/14/53/703111453.db2.gz DTJBEDRGSQZXRN-KSSFIOAISA-N 2 1 348.466 1.889 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)no1 ZINC000942597023 703111753 /nfs/dbraw/zinc/11/17/53/703111753.db2.gz HYFLHCWUYYXOKO-DYVFJYSZSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)no1 ZINC000942597023 703111754 /nfs/dbraw/zinc/11/17/54/703111754.db2.gz HYFLHCWUYYXOKO-DYVFJYSZSA-N 2 1 334.464 1.651 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3cnnn3C)CC2)C1 ZINC000996904630 703176497 /nfs/dbraw/zinc/17/64/97/703176497.db2.gz NQRUEMOMHWJKPI-HNNXBMFYSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]C[C@@H]3CCOC3)CC2)C1 ZINC000996902997 703177563 /nfs/dbraw/zinc/17/75/63/703177563.db2.gz GKARPDCYRUGSDJ-DLBZAZTESA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC3CC(C)C3)CC2)C1 ZINC000996933912 703203169 /nfs/dbraw/zinc/20/31/69/703203169.db2.gz YUHVJAUPJBMLAO-HTWSVDAQSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC3CC(C)C3)CC2)C1 ZINC000996933912 703203171 /nfs/dbraw/zinc/20/31/71/703203171.db2.gz YUHVJAUPJBMLAO-HTWSVDAQSA-N 2 1 337.508 1.722 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC([NH2+]Cc3ccon3)CC1)CC2 ZINC000996936119 703205040 /nfs/dbraw/zinc/20/50/40/703205040.db2.gz QGUOCNITLMWAHH-CQSZACIVSA-N 2 1 343.431 1.523 20 0 EDADMP C[C@@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000942718127 703231947 /nfs/dbraw/zinc/23/19/47/703231947.db2.gz BVGQVHCEERDKRW-APWZRJJASA-N 2 1 347.503 1.613 20 0 EDADMP Cc1cncc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)c1 ZINC000996995835 703252835 /nfs/dbraw/zinc/25/28/35/703252835.db2.gz RSBLACXTMBQOHZ-MRXNPFEDSA-N 2 1 330.476 1.955 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC000997005083 703262395 /nfs/dbraw/zinc/26/23/95/703262395.db2.gz CFGMBJKHRYMPEH-XJKSGUPXSA-N 2 1 346.475 1.830 20 0 EDADMP COc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000997006434 703263310 /nfs/dbraw/zinc/26/33/10/703263310.db2.gz GJNMJVIMDWRTSE-KBXCAEBGSA-N 2 1 346.475 1.369 20 0 EDADMP Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997009001 703263374 /nfs/dbraw/zinc/26/33/74/703263374.db2.gz NUXUFEJNJWVODH-KSSFIOAISA-N 2 1 330.476 1.668 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000997007718 703264860 /nfs/dbraw/zinc/26/48/60/703264860.db2.gz JJBGYONHFDIRKA-YJBOKZPZSA-N 2 1 337.508 1.581 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccsc1 ZINC001032407981 703434085 /nfs/dbraw/zinc/43/40/85/703434085.db2.gz QZQKMIJSHBKNQA-YESZJQIVSA-N 2 1 331.485 1.875 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccsc1 ZINC001032407981 703434086 /nfs/dbraw/zinc/43/40/86/703434086.db2.gz QZQKMIJSHBKNQA-YESZJQIVSA-N 2 1 331.485 1.875 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3nnc(C4CC4)[nH]3)CC2)C1 ZINC000997182590 703467654 /nfs/dbraw/zinc/46/76/54/703467654.db2.gz GXDOAMXYPPYSEB-ZDUSSCGKSA-N 2 1 346.479 1.105 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3nnc(C(C)(C)C)o3)CC2)C1 ZINC000997300405 703543870 /nfs/dbraw/zinc/54/38/70/703543870.db2.gz UHKGKHHJVPZDFR-CYBMUJFWSA-N 2 1 349.479 1.399 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3nnc(C(C)(C)C)o3)CC2)C1 ZINC000997300405 703543871 /nfs/dbraw/zinc/54/38/71/703543871.db2.gz UHKGKHHJVPZDFR-CYBMUJFWSA-N 2 1 349.479 1.399 20 0 EDADMP COCc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000997297289 703555910 /nfs/dbraw/zinc/55/59/10/703555910.db2.gz FCLILQJDCKHABX-SFHVURJKSA-N 2 1 345.487 1.865 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c(C)s1 ZINC000997298379 703556500 /nfs/dbraw/zinc/55/65/00/703556500.db2.gz IUQWRSDUPYBMGL-AWEZNQCLSA-N 2 1 336.505 1.792 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)sn1 ZINC000997299001 703556699 /nfs/dbraw/zinc/55/66/99/703556699.db2.gz MEAJZEQUISAUSZ-LBPRGKRZSA-N 2 1 338.477 1.184 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ncc(Cl)s3)CC2)C1 ZINC000997299993 703557452 /nfs/dbraw/zinc/55/74/52/703557452.db2.gz SVBGRZBXZDJGKM-NSHDSACASA-N 2 1 342.896 1.829 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)o1 ZINC000997359698 703590218 /nfs/dbraw/zinc/59/02/18/703590218.db2.gz IQXJANPGWHBAPO-KBPBESRZSA-N 2 1 349.479 1.585 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000997366054 703599731 /nfs/dbraw/zinc/59/97/31/703599731.db2.gz XZUBGIVWUFCYHJ-KRWDZBQOSA-N 2 1 333.480 1.375 20 0 EDADMP CC[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2)OC ZINC001032472455 703685906 /nfs/dbraw/zinc/68/59/06/703685906.db2.gz UCHJHZCEMPGTHS-YESZJQIVSA-N 2 1 335.492 1.573 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000997611185 703910874 /nfs/dbraw/zinc/91/08/74/703910874.db2.gz CXEXIJJHKXNHKI-SFHVURJKSA-N 2 1 345.491 1.252 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1 ZINC000995549873 703933758 /nfs/dbraw/zinc/93/37/58/703933758.db2.gz GDLFZWXBVQPFBK-CVEARBPZSA-N 2 1 334.439 1.642 20 0 EDADMP COCC[NH+]1CCC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000997653444 703970148 /nfs/dbraw/zinc/97/01/48/703970148.db2.gz MSCUXYJDAWNUPQ-ZDUSSCGKSA-N 2 1 338.452 1.213 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033080192 704145606 /nfs/dbraw/zinc/14/56/06/704145606.db2.gz FDVFXERSGMJNNJ-WMZOPIPTSA-N 2 1 335.492 1.430 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095348 704181954 /nfs/dbraw/zinc/18/19/54/704181954.db2.gz XMNKYJRNLLQKSY-RHSMWYFYSA-N 2 1 333.480 1.979 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095348 704181955 /nfs/dbraw/zinc/18/19/55/704181955.db2.gz XMNKYJRNLLQKSY-RHSMWYFYSA-N 2 1 333.480 1.979 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033095348 704181957 /nfs/dbraw/zinc/18/19/57/704181957.db2.gz XMNKYJRNLLQKSY-RHSMWYFYSA-N 2 1 333.480 1.979 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033095348 704181959 /nfs/dbraw/zinc/18/19/59/704181959.db2.gz XMNKYJRNLLQKSY-RHSMWYFYSA-N 2 1 333.480 1.979 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccnn3C)C2)CC[N@@H+]1C ZINC001033095607 704182856 /nfs/dbraw/zinc/18/28/56/704182856.db2.gz CHQNCFHRSWLODT-HYVNUMGLSA-N 2 1 333.480 1.183 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccnn3C)C2)CC[N@H+]1C ZINC001033095607 704182858 /nfs/dbraw/zinc/18/28/58/704182858.db2.gz CHQNCFHRSWLODT-HYVNUMGLSA-N 2 1 333.480 1.183 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccnn3C)C2)CC[NH+]1C ZINC001033095607 704182860 /nfs/dbraw/zinc/18/28/60/704182860.db2.gz CHQNCFHRSWLODT-HYVNUMGLSA-N 2 1 333.480 1.183 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccnn3C)C2)CC[NH+]1C ZINC001033095607 704182862 /nfs/dbraw/zinc/18/28/62/704182862.db2.gz CHQNCFHRSWLODT-HYVNUMGLSA-N 2 1 333.480 1.183 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)no2)C1 ZINC000999308075 706808779 /nfs/dbraw/zinc/80/87/79/706808779.db2.gz OZMFOFWZSQWPCP-RDJZCZTQSA-N 2 1 334.464 1.938 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC1 ZINC000922878692 704445532 /nfs/dbraw/zinc/44/55/32/704445532.db2.gz RTHLGTIPIPHAMN-HOTGVXAUSA-N 2 1 331.464 1.468 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004459525 704453033 /nfs/dbraw/zinc/45/30/33/704453033.db2.gz UOEMHLGVBIBDKM-MSOLQXFVSA-N 2 1 337.508 1.676 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004464509 704456403 /nfs/dbraw/zinc/45/64/03/704456403.db2.gz PDRRPRHVJZGXKK-MSOLQXFVSA-N 2 1 339.524 1.922 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CC[NH+](CC3CC3)CC2)C1 ZINC000997723930 704620094 /nfs/dbraw/zinc/62/00/94/704620094.db2.gz GPHWTSUSKSYXIP-YJBOKZPZSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CC[NH+](CC3CC3)CC2)C1 ZINC000997723930 704620095 /nfs/dbraw/zinc/62/00/95/704620095.db2.gz GPHWTSUSKSYXIP-YJBOKZPZSA-N 2 1 337.508 1.722 20 0 EDADMP Cc1nnsc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947935203 704627588 /nfs/dbraw/zinc/62/75/88/704627588.db2.gz PKXDKOTWHKQTIH-JSGCOSHPSA-N 2 1 349.504 1.411 20 0 EDADMP Cc1nnsc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947935203 704627589 /nfs/dbraw/zinc/62/75/89/704627589.db2.gz PKXDKOTWHKQTIH-JSGCOSHPSA-N 2 1 349.504 1.411 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947936337 704664932 /nfs/dbraw/zinc/66/49/32/704664932.db2.gz VLYNHXYLWBEPEE-XJKSGUPXSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)o1 ZINC000947936662 704668098 /nfs/dbraw/zinc/66/80/98/704668098.db2.gz XLJDWAITWXJAPU-XJKSGUPXSA-N 2 1 346.475 1.856 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000997774184 704679049 /nfs/dbraw/zinc/67/90/49/704679049.db2.gz CXRUTALPVPKMFU-QGZVFWFLSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000997792629 704701383 /nfs/dbraw/zinc/70/13/83/704701383.db2.gz JFSOPZVEYBHPJX-WOSRLPQWSA-N 2 1 348.495 1.343 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1ncccn1 ZINC000997794364 704702641 /nfs/dbraw/zinc/70/26/41/704702641.db2.gz ZXEXWZWWKZBMRZ-BFYDXBDKSA-N 2 1 345.491 1.706 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000997830346 704749193 /nfs/dbraw/zinc/74/91/93/704749193.db2.gz ILRAEVFNSNDQLY-UHFFFAOYSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000997830346 704749194 /nfs/dbraw/zinc/74/91/94/704749194.db2.gz ILRAEVFNSNDQLY-UHFFFAOYSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997861933 704772103 /nfs/dbraw/zinc/77/21/03/704772103.db2.gz WZRYIRQDLMEPAC-GUYCJALGSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)co1 ZINC000997868987 704774552 /nfs/dbraw/zinc/77/45/52/704774552.db2.gz XTQWTFLTRNFHKO-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)co1 ZINC000997868987 704774555 /nfs/dbraw/zinc/77/45/55/704774555.db2.gz XTQWTFLTRNFHKO-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)cn1 ZINC000944943556 704796376 /nfs/dbraw/zinc/79/63/76/704796376.db2.gz IPKLTKSIRWVKDB-PBHICJAKSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944943688 704796418 /nfs/dbraw/zinc/79/64/18/704796418.db2.gz JLHSUJGRUFMNKE-RHSMWYFYSA-N 2 1 333.480 1.151 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945092157 705061641 /nfs/dbraw/zinc/06/16/41/705061641.db2.gz PPZGVUVEDXMIPF-YJBOKZPZSA-N 2 1 333.476 1.835 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000998077434 705297835 /nfs/dbraw/zinc/29/78/35/705297835.db2.gz FVCMGCJSEFQFLY-TZMCWYRMSA-N 2 1 337.493 1.064 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000998081555 705302395 /nfs/dbraw/zinc/30/23/95/705302395.db2.gz JKLYYBDXSFVFDS-KGLIPLIRSA-N 2 1 349.479 1.609 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3cnns3)CC2)C1 ZINC000998081321 705302483 /nfs/dbraw/zinc/30/24/83/705302483.db2.gz JCJMIDGHQFXFDW-CYBMUJFWSA-N 2 1 337.493 1.208 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000998083113 705311578 /nfs/dbraw/zinc/31/15/78/705311578.db2.gz VBCSBZKINACQKQ-ZDUSSCGKSA-N 2 1 335.452 1.048 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000998083113 705311582 /nfs/dbraw/zinc/31/15/82/705311582.db2.gz VBCSBZKINACQKQ-ZDUSSCGKSA-N 2 1 335.452 1.048 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOc2ccccc2)CC1 ZINC001032602805 705411905 /nfs/dbraw/zinc/41/19/05/705411905.db2.gz CGKUVAAOXJIZJB-ROUUACIJSA-N 2 1 343.471 1.692 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOc2ccccc2)CC1 ZINC001032602805 705411907 /nfs/dbraw/zinc/41/19/07/705411907.db2.gz CGKUVAAOXJIZJB-ROUUACIJSA-N 2 1 343.471 1.692 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000998216606 705538729 /nfs/dbraw/zinc/53/87/29/705538729.db2.gz IFPHNBNHCIARRG-MRXNPFEDSA-N 2 1 348.466 1.891 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]Cc3nncs3)CC2)C1 ZINC000998217695 705540584 /nfs/dbraw/zinc/54/05/84/705540584.db2.gz REGZMRLEBWPZSA-AWEZNQCLSA-N 2 1 337.493 1.208 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000998267954 705639360 /nfs/dbraw/zinc/63/93/60/705639360.db2.gz BEXHCADEBTZPPC-UHFFFAOYSA-N 2 1 333.461 1.676 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3ncc(C4CC4)o3)CC2)C1 ZINC000998274110 705654705 /nfs/dbraw/zinc/65/47/05/705654705.db2.gz RATLMLCOOJAAAK-MRXNPFEDSA-N 2 1 346.475 1.832 20 0 EDADMP CCn1cc(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC000998720540 706152301 /nfs/dbraw/zinc/15/23/01/706152301.db2.gz JDTFOITWAYUYJG-IAGOWNOFSA-N 2 1 333.480 1.120 20 0 EDADMP CCn1nncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998762808 706201177 /nfs/dbraw/zinc/20/11/77/706201177.db2.gz HOJYKFJOHMVSFI-DQPZFDDXSA-N 2 1 348.495 1.250 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CCC3CCOCC3)C2)CC[N@H+]1C ZINC000998791268 706238375 /nfs/dbraw/zinc/23/83/75/706238375.db2.gz LMNVHGHTENPBDV-AGERRDQYSA-N 2 1 337.508 1.722 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ncnn3CC)C2)CC[N@H+]1C ZINC000998794950 706241728 /nfs/dbraw/zinc/24/17/28/706241728.db2.gz UOSZZGNGXQQLMW-SSHXOBKSSA-N 2 1 348.495 1.107 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C)c1 ZINC000998825171 706271819 /nfs/dbraw/zinc/27/18/19/706271819.db2.gz LYLCVGCLJPRGPU-OALUTQOASA-N 2 1 345.487 1.715 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C)c1 ZINC000998825171 706271822 /nfs/dbraw/zinc/27/18/22/706271822.db2.gz LYLCVGCLJPRGPU-OALUTQOASA-N 2 1 345.487 1.715 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998900612 706330373 /nfs/dbraw/zinc/33/03/73/706330373.db2.gz GFSWFVJWZGDKRN-AQFXKWCLSA-N 2 1 347.507 1.762 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000998994862 706412194 /nfs/dbraw/zinc/41/21/94/706412194.db2.gz LQLUCSFVYHTOCL-JCYILVPMSA-N 2 1 333.480 1.292 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999035302 706450649 /nfs/dbraw/zinc/45/06/49/706450649.db2.gz KPBRJXRMQQYONP-LEOMRAHMSA-N 2 1 347.507 1.620 20 0 EDADMP Cc1noc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC[C@@H]3C2)n1 ZINC000946517461 706527859 /nfs/dbraw/zinc/52/78/59/706527859.db2.gz DPLORFIFAKOBKZ-OWCLPIDISA-N 2 1 347.463 1.143 20 0 EDADMP Cc1noc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)CC[C@@H]3C2)n1 ZINC000946517461 706527861 /nfs/dbraw/zinc/52/78/61/706527861.db2.gz DPLORFIFAKOBKZ-OWCLPIDISA-N 2 1 347.463 1.143 20 0 EDADMP Cc1noc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)CC[C@@H]3C2)n1 ZINC000946517461 706527864 /nfs/dbraw/zinc/52/78/64/706527864.db2.gz DPLORFIFAKOBKZ-OWCLPIDISA-N 2 1 347.463 1.143 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC000999351262 706864096 /nfs/dbraw/zinc/86/40/96/706864096.db2.gz DUFZLBXSYCUZEM-CVEARBPZSA-N 2 1 348.495 1.159 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)ncn1 ZINC000999374760 706869228 /nfs/dbraw/zinc/86/92/28/706869228.db2.gz JAKOSYQTMIERBS-OAHLLOKOSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)s1 ZINC000999365665 706879459 /nfs/dbraw/zinc/87/94/59/706879459.db2.gz QUPPAWKFUZYSQX-CYBMUJFWSA-N 2 1 337.493 1.411 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)s1 ZINC000999365665 706879462 /nfs/dbraw/zinc/87/94/62/706879462.db2.gz QUPPAWKFUZYSQX-CYBMUJFWSA-N 2 1 337.493 1.411 20 0 EDADMP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000999402967 706911505 /nfs/dbraw/zinc/91/15/05/706911505.db2.gz LSPAQUJUKREDGU-GRTSSRMGSA-N 2 1 347.463 1.510 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000999402967 706911506 /nfs/dbraw/zinc/91/15/06/706911506.db2.gz LSPAQUJUKREDGU-GRTSSRMGSA-N 2 1 347.463 1.510 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)s1 ZINC000999403526 706912161 /nfs/dbraw/zinc/91/21/61/706912161.db2.gz QPZCTSKRHTXCQN-XGNXJENSSA-N 2 1 337.493 1.267 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)s1 ZINC000999403526 706912164 /nfs/dbraw/zinc/91/21/64/706912164.db2.gz QPZCTSKRHTXCQN-XGNXJENSSA-N 2 1 337.493 1.267 20 0 EDADMP CC(C)n1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC000999407826 706917558 /nfs/dbraw/zinc/91/75/58/706917558.db2.gz HBEIQUXRACRITK-FAEJEUNOSA-N 2 1 347.507 1.885 20 0 EDADMP CCn1cc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)nn1 ZINC000999407761 706917775 /nfs/dbraw/zinc/91/77/75/706917775.db2.gz GKEAQUPSGYJJDT-UHFFFAOYSA-N 2 1 348.495 1.109 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000999408043 706918168 /nfs/dbraw/zinc/91/81/68/706918168.db2.gz ZUGFJROLRJOFAA-FAEJEUNOSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)co1 ZINC000999409158 706918841 /nfs/dbraw/zinc/91/88/41/706918841.db2.gz OXEQDCMBCZJAPA-UHFFFAOYSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)co1 ZINC000999409158 706918843 /nfs/dbraw/zinc/91/88/43/706918843.db2.gz OXEQDCMBCZJAPA-UHFFFAOYSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999410510 706920177 /nfs/dbraw/zinc/92/01/77/706920177.db2.gz YFLRTMRGTOXBHV-NVPAJSRCSA-N 2 1 333.480 1.149 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(F)cn3)C2)C1 ZINC000999410554 706920279 /nfs/dbraw/zinc/92/02/79/706920279.db2.gz YUQPXYBSIZBRDK-IGEOTXOUSA-N 2 1 334.439 1.642 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)n2C)C1)[NH+](C)C ZINC000999497550 706995340 /nfs/dbraw/zinc/99/53/40/706995340.db2.gz RAAKWJRABYSCIR-HUUCEWRRSA-N 2 1 348.495 1.113 20 0 EDADMP Cc1nc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC001060880115 707024205 /nfs/dbraw/zinc/02/42/05/707024205.db2.gz VUQKXDJGIJFLHW-HZPDHXFCSA-N 2 1 331.464 1.614 20 0 EDADMP Cc1nc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC001060880115 707024206 /nfs/dbraw/zinc/02/42/06/707024206.db2.gz VUQKXDJGIJFLHW-HZPDHXFCSA-N 2 1 331.464 1.614 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nncn2C)C1 ZINC000999576550 707083913 /nfs/dbraw/zinc/08/39/13/707083913.db2.gz YDDZSCBRCIXRSU-JKSUJKDBSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nncn2C)C1 ZINC000999576550 707083917 /nfs/dbraw/zinc/08/39/17/707083917.db2.gz YDDZSCBRCIXRSU-JKSUJKDBSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)oc1C ZINC000999682579 707168790 /nfs/dbraw/zinc/16/87/90/707168790.db2.gz PYIVPNHSHXKCFZ-QQFBHYJXSA-N 2 1 334.464 1.712 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)oc1C ZINC000999682579 707168795 /nfs/dbraw/zinc/16/87/95/707168795.db2.gz PYIVPNHSHXKCFZ-QQFBHYJXSA-N 2 1 334.464 1.712 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033255626 707245321 /nfs/dbraw/zinc/24/53/21/707245321.db2.gz KYMVETYUHGDKLT-HOCLYGCPSA-N 2 1 343.431 1.449 20 0 EDADMP CCc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000999714335 707252222 /nfs/dbraw/zinc/25/22/22/707252222.db2.gz OKLCOOOHAIKVDT-HNNXBMFYSA-N 2 1 345.447 1.831 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2cccnc2C)C1 ZINC000999715481 707253111 /nfs/dbraw/zinc/25/31/11/707253111.db2.gz VQPJUWIIVPVASC-QGZVFWFLSA-N 2 1 327.432 1.676 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2snnc2C)C1 ZINC000999723755 707264216 /nfs/dbraw/zinc/26/42/16/707264216.db2.gz HJITZNVYJXZIOO-ZDUSSCGKSA-N 2 1 334.449 1.132 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](CCc2scnc2C)C1 ZINC001033264841 707287086 /nfs/dbraw/zinc/28/70/86/707287086.db2.gz DGTLWOHBHJWLCR-HNNXBMFYSA-N 2 1 347.488 1.732 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](CCc2scnc2C)C1 ZINC001033264841 707287089 /nfs/dbraw/zinc/28/70/89/707287089.db2.gz DGTLWOHBHJWLCR-HNNXBMFYSA-N 2 1 347.488 1.732 20 0 EDADMP CCc1nc(N2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)cc(C)[nH+]1 ZINC001061620362 707296513 /nfs/dbraw/zinc/29/65/13/707296513.db2.gz XSYGXYBKOBAINZ-OAHLLOKOSA-N 2 1 345.491 1.632 20 0 EDADMP CCc1cc(N2CC[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC001061620389 707297254 /nfs/dbraw/zinc/29/72/54/707297254.db2.gz YHJFFSREOZEDGE-HNNXBMFYSA-N 2 1 345.491 1.632 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)nc2C)C1 ZINC000999711287 707306243 /nfs/dbraw/zinc/30/62/43/707306243.db2.gz DWYLAPVKTSWAIP-GOSISDBHSA-N 2 1 341.459 1.984 20 0 EDADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000999763698 707318333 /nfs/dbraw/zinc/31/83/33/707318333.db2.gz IBRHDKCSOZEHPF-VZDIDWBNSA-N 2 1 333.476 1.230 20 0 EDADMP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033295914 707405467 /nfs/dbraw/zinc/40/54/67/707405467.db2.gz OQNNXWOXRKBPGR-RTBURBONSA-N 2 1 342.487 1.989 20 0 EDADMP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033295914 707405468 /nfs/dbraw/zinc/40/54/68/707405468.db2.gz OQNNXWOXRKBPGR-RTBURBONSA-N 2 1 342.487 1.989 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999837114 707473325 /nfs/dbraw/zinc/47/33/25/707473325.db2.gz OBEANUJICYPVNI-NFOMZHRRSA-N 2 1 334.464 1.576 20 0 EDADMP C[C@H](NCc1ncccn1)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004882051 707529925 /nfs/dbraw/zinc/52/99/25/707529925.db2.gz ZHHLXAHEPSAIIY-RDJZCZTQSA-N 2 1 345.491 1.820 20 0 EDADMP C[C@H]([NH2+]Cc1ncccn1)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004882051 707529930 /nfs/dbraw/zinc/52/99/30/707529930.db2.gz ZHHLXAHEPSAIIY-RDJZCZTQSA-N 2 1 345.491 1.820 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnn(C)n3)C2)C1 ZINC000999976663 707590925 /nfs/dbraw/zinc/59/09/25/707590925.db2.gz YJMPXDKMNGRKAX-HZPDHXFCSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnn(C)n3)C2)C1 ZINC000999976663 707590927 /nfs/dbraw/zinc/59/09/27/707590927.db2.gz YJMPXDKMNGRKAX-HZPDHXFCSA-N 2 1 348.495 1.018 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033392173 707725218 /nfs/dbraw/zinc/72/52/18/707725218.db2.gz ZJDOXEULMXJSKX-KRWDZBQOSA-N 2 1 333.480 1.103 20 0 EDADMP Cn1cc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(C2CCCC2)n1 ZINC000921690683 707735304 /nfs/dbraw/zinc/73/53/04/707735304.db2.gz PQJAKQRRXXWNAQ-INIZCTEOSA-N 2 1 347.507 1.755 20 0 EDADMP Cn1cc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C2CCCC2)n1 ZINC000921690683 707735308 /nfs/dbraw/zinc/73/53/08/707735308.db2.gz PQJAKQRRXXWNAQ-INIZCTEOSA-N 2 1 347.507 1.755 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001000191035 707831662 /nfs/dbraw/zinc/83/16/62/707831662.db2.gz HPVNPDSCMBNOGK-ZBFHGGJFSA-N 2 1 347.463 1.050 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033225023 707849425 /nfs/dbraw/zinc/84/94/25/707849425.db2.gz CBTACCCAGWIRDX-SJORKVTESA-N 2 1 349.519 1.963 20 0 EDADMP Cc1cnc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001004990319 707851129 /nfs/dbraw/zinc/85/11/29/707851129.db2.gz HUVMTQHTFUKCGM-CVEARBPZSA-N 2 1 334.464 1.938 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1)OC ZINC001033229556 707884210 /nfs/dbraw/zinc/88/42/10/707884210.db2.gz CHBICBIHRHICSZ-RDJZCZTQSA-N 2 1 330.432 1.906 20 0 EDADMP C[C@H](F)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946535864 707888500 /nfs/dbraw/zinc/88/85/00/707888500.db2.gz BTLHOHPMUVPHKC-NXOAAHMSSA-N 2 1 341.471 1.236 20 0 EDADMP C[C@H](F)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946535864 707888503 /nfs/dbraw/zinc/88/85/03/707888503.db2.gz BTLHOHPMUVPHKC-NXOAAHMSSA-N 2 1 341.471 1.236 20 0 EDADMP C[C@H](F)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946535864 707888504 /nfs/dbraw/zinc/88/85/04/707888504.db2.gz BTLHOHPMUVPHKC-NXOAAHMSSA-N 2 1 341.471 1.236 20 0 EDADMP C[C@H](F)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946535864 707888506 /nfs/dbraw/zinc/88/85/06/707888506.db2.gz BTLHOHPMUVPHKC-NXOAAHMSSA-N 2 1 341.471 1.236 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCC4CC4)C[C@H]3CC2)C1 ZINC000946536133 707892165 /nfs/dbraw/zinc/89/21/65/707892165.db2.gz HKAJKIXLQJJIFM-FGTMMUONSA-N 2 1 335.492 1.288 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCC4CC4)C[C@H]3CC2)C1 ZINC000946536133 707892169 /nfs/dbraw/zinc/89/21/69/707892169.db2.gz HKAJKIXLQJJIFM-FGTMMUONSA-N 2 1 335.492 1.288 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCC4CC4)C[C@H]3CC2)C1 ZINC000946536133 707892175 /nfs/dbraw/zinc/89/21/75/707892175.db2.gz HKAJKIXLQJJIFM-FGTMMUONSA-N 2 1 335.492 1.288 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCC4CC4)C[C@H]3CC2)C1 ZINC000946536133 707892180 /nfs/dbraw/zinc/89/21/80/707892180.db2.gz HKAJKIXLQJJIFM-FGTMMUONSA-N 2 1 335.492 1.288 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001033475719 707966014 /nfs/dbraw/zinc/96/60/14/707966014.db2.gz QQXQWSQZEJWFJH-HNNXBMFYSA-N 2 1 336.505 1.908 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001033475719 707966015 /nfs/dbraw/zinc/96/60/15/707966015.db2.gz QQXQWSQZEJWFJH-HNNXBMFYSA-N 2 1 336.505 1.908 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001033475721 707966076 /nfs/dbraw/zinc/96/60/76/707966076.db2.gz QQXQWSQZEJWFJH-OAHLLOKOSA-N 2 1 336.505 1.908 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001033475721 707966079 /nfs/dbraw/zinc/96/60/79/707966079.db2.gz QQXQWSQZEJWFJH-OAHLLOKOSA-N 2 1 336.505 1.908 20 0 EDADMP CCc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001032781735 707970686 /nfs/dbraw/zinc/97/06/86/707970686.db2.gz HIZGDWJDFGOFNQ-FHWLQOOXSA-N 2 1 327.472 1.986 20 0 EDADMP CCc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001032781735 707970689 /nfs/dbraw/zinc/97/06/89/707970689.db2.gz HIZGDWJDFGOFNQ-FHWLQOOXSA-N 2 1 327.472 1.986 20 0 EDADMP CCc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001032781735 707970692 /nfs/dbraw/zinc/97/06/92/707970692.db2.gz HIZGDWJDFGOFNQ-FHWLQOOXSA-N 2 1 327.472 1.986 20 0 EDADMP CO[C@H](C)C[N@@H+]1CC=C(CNC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001000845240 708072678 /nfs/dbraw/zinc/07/26/78/708072678.db2.gz SHTNKNVEARAJKK-CYBMUJFWSA-N 2 1 328.416 1.960 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCF)C2 ZINC001040532714 708111883 /nfs/dbraw/zinc/11/18/83/708111883.db2.gz ZJEBGNTTZONUOP-WMZOPIPTSA-N 2 1 341.471 1.239 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005180079 708123315 /nfs/dbraw/zinc/12/33/15/708123315.db2.gz QFXAKYSVZLXIDY-SFHVURJKSA-N 2 1 330.476 1.907 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001005181809 708127589 /nfs/dbraw/zinc/12/75/89/708127589.db2.gz ZTMVREKQCHVJQR-QGZVFWFLSA-N 2 1 334.439 1.738 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001005181809 708127591 /nfs/dbraw/zinc/12/75/91/708127591.db2.gz ZTMVREKQCHVJQR-QGZVFWFLSA-N 2 1 334.439 1.738 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001005183823 708134364 /nfs/dbraw/zinc/13/43/64/708134364.db2.gz KOFHJQRWVGNSRP-CRAIPNDOSA-N 2 1 345.491 1.863 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC001005183823 708134365 /nfs/dbraw/zinc/13/43/65/708134365.db2.gz KOFHJQRWVGNSRP-CRAIPNDOSA-N 2 1 345.491 1.863 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001005183829 708134883 /nfs/dbraw/zinc/13/48/83/708134883.db2.gz KOFHJQRWVGNSRP-YJBOKZPZSA-N 2 1 345.491 1.863 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC001005183829 708134887 /nfs/dbraw/zinc/13/48/87/708134887.db2.gz KOFHJQRWVGNSRP-YJBOKZPZSA-N 2 1 345.491 1.863 20 0 EDADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033579891 708259821 /nfs/dbraw/zinc/25/98/21/708259821.db2.gz AHHKFNHWDGVMGX-YOEHRIQHSA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033579891 708259825 /nfs/dbraw/zinc/25/98/25/708259825.db2.gz AHHKFNHWDGVMGX-YOEHRIQHSA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033579891 708259827 /nfs/dbraw/zinc/25/98/27/708259827.db2.gz AHHKFNHWDGVMGX-YOEHRIQHSA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033579891 708259830 /nfs/dbraw/zinc/25/98/30/708259830.db2.gz AHHKFNHWDGVMGX-YOEHRIQHSA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033583364 708267716 /nfs/dbraw/zinc/26/77/16/708267716.db2.gz UZBAQZCTPROMOA-ROUUACIJSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033583364 708267718 /nfs/dbraw/zinc/26/77/18/708267718.db2.gz UZBAQZCTPROMOA-ROUUACIJSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033583364 708267720 /nfs/dbraw/zinc/26/77/20/708267720.db2.gz UZBAQZCTPROMOA-ROUUACIJSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC001033660560 708473294 /nfs/dbraw/zinc/47/32/94/708473294.db2.gz IGICCEMSTMAWQC-DOTOQJQBSA-N 2 1 349.450 1.689 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC001033660560 708473297 /nfs/dbraw/zinc/47/32/97/708473297.db2.gz IGICCEMSTMAWQC-DOTOQJQBSA-N 2 1 349.450 1.689 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC001033660560 708473298 /nfs/dbraw/zinc/47/32/98/708473298.db2.gz IGICCEMSTMAWQC-DOTOQJQBSA-N 2 1 349.450 1.689 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC001033681063 708492684 /nfs/dbraw/zinc/49/26/84/708492684.db2.gz RFQAFNIZUAQNHA-MOPGFXCFSA-N 2 1 345.487 1.748 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC001033681063 708492685 /nfs/dbraw/zinc/49/26/85/708492685.db2.gz RFQAFNIZUAQNHA-MOPGFXCFSA-N 2 1 345.487 1.748 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC001033681063 708492687 /nfs/dbraw/zinc/49/26/87/708492687.db2.gz RFQAFNIZUAQNHA-MOPGFXCFSA-N 2 1 345.487 1.748 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC001033681063 708492689 /nfs/dbraw/zinc/49/26/89/708492689.db2.gz RFQAFNIZUAQNHA-MOPGFXCFSA-N 2 1 345.487 1.748 20 0 EDADMP C[C@H](c1ncccn1)[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002128830 708645580 /nfs/dbraw/zinc/64/55/80/708645580.db2.gz ZSSGFHZQECYCAY-ZBFHGGJFSA-N 2 1 331.464 1.318 20 0 EDADMP C[C@H](c1ncccn1)[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002128830 708645582 /nfs/dbraw/zinc/64/55/82/708645582.db2.gz ZSSGFHZQECYCAY-ZBFHGGJFSA-N 2 1 331.464 1.318 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001033773426 708671895 /nfs/dbraw/zinc/67/18/95/708671895.db2.gz FHOJWQZRKNSERH-IRXDYDNUSA-N 2 1 333.480 1.246 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001033773426 708671896 /nfs/dbraw/zinc/67/18/96/708671896.db2.gz FHOJWQZRKNSERH-IRXDYDNUSA-N 2 1 333.480 1.246 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033773426 708671897 /nfs/dbraw/zinc/67/18/97/708671897.db2.gz FHOJWQZRKNSERH-IRXDYDNUSA-N 2 1 333.480 1.246 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033773426 708671898 /nfs/dbraw/zinc/67/18/98/708671898.db2.gz FHOJWQZRKNSERH-IRXDYDNUSA-N 2 1 333.480 1.246 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005382988 708817447 /nfs/dbraw/zinc/81/74/47/708817447.db2.gz FQJGYFAIEMFSPY-RDJZCZTQSA-N 2 1 325.497 1.817 20 0 EDADMP COCC[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001005407785 708911645 /nfs/dbraw/zinc/91/16/45/708911645.db2.gz URSYLOZLXYOTHU-KRWDZBQOSA-N 2 1 349.479 1.359 20 0 EDADMP COCC[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001005407785 708911646 /nfs/dbraw/zinc/91/16/46/708911646.db2.gz URSYLOZLXYOTHU-KRWDZBQOSA-N 2 1 349.479 1.359 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC001002463761 709014694 /nfs/dbraw/zinc/01/46/94/709014694.db2.gz YAQNLWKKPNSTDI-ZWKOTPCHSA-N 2 1 349.450 1.534 20 0 EDADMP CCOc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001002480049 709030307 /nfs/dbraw/zinc/03/03/07/709030307.db2.gz LQNSUDUKDQLHNO-KRWDZBQOSA-N 2 1 346.475 1.655 20 0 EDADMP CCOc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001002480049 709030310 /nfs/dbraw/zinc/03/03/10/709030310.db2.gz LQNSUDUKDQLHNO-KRWDZBQOSA-N 2 1 346.475 1.655 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001033940703 709146915 /nfs/dbraw/zinc/14/69/15/709146915.db2.gz KPIGHDKNEIGBPD-MRXNPFEDSA-N 2 1 334.464 1.748 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001033940703 709146917 /nfs/dbraw/zinc/14/69/17/709146917.db2.gz KPIGHDKNEIGBPD-MRXNPFEDSA-N 2 1 334.464 1.748 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001034015184 709231091 /nfs/dbraw/zinc/23/10/91/709231091.db2.gz FJHAMCGELQFAEY-HNNXBMFYSA-N 2 1 332.448 1.502 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001034015184 709231094 /nfs/dbraw/zinc/23/10/94/709231094.db2.gz FJHAMCGELQFAEY-HNNXBMFYSA-N 2 1 332.448 1.502 20 0 EDADMP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@H]1CC[N@@H+](CCO)C1 ZINC001034051729 709280511 /nfs/dbraw/zinc/28/05/11/709280511.db2.gz ZREMBJYKRQJICL-HNNXBMFYSA-N 2 1 337.464 1.650 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccc(OC)n2)C1 ZINC001034041627 709290704 /nfs/dbraw/zinc/29/07/04/709290704.db2.gz GNPUDUJEDVENOS-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cccc(OC)n2)C1 ZINC001034041627 709290705 /nfs/dbraw/zinc/29/07/05/709290705.db2.gz GNPUDUJEDVENOS-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(OC)n2)C1 ZINC001034041627 709290707 /nfs/dbraw/zinc/29/07/07/709290707.db2.gz GNPUDUJEDVENOS-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(OC)n2)C1 ZINC001034041627 709290709 /nfs/dbraw/zinc/29/07/09/709290709.db2.gz GNPUDUJEDVENOS-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001034046860 709299648 /nfs/dbraw/zinc/29/96/48/709299648.db2.gz AQIOCUVPTOLUJB-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001034046860 709299649 /nfs/dbraw/zinc/29/96/49/709299649.db2.gz AQIOCUVPTOLUJB-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001034046860 709299650 /nfs/dbraw/zinc/29/96/50/709299650.db2.gz AQIOCUVPTOLUJB-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001034046860 709299651 /nfs/dbraw/zinc/29/96/51/709299651.db2.gz AQIOCUVPTOLUJB-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001034047747 709301364 /nfs/dbraw/zinc/30/13/64/709301364.db2.gz KFUHKXIARMZYAO-DLBZAZTESA-N 2 1 325.497 1.676 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001034047747 709301368 /nfs/dbraw/zinc/30/13/68/709301368.db2.gz KFUHKXIARMZYAO-DLBZAZTESA-N 2 1 325.497 1.676 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001034047747 709301372 /nfs/dbraw/zinc/30/13/72/709301372.db2.gz KFUHKXIARMZYAO-DLBZAZTESA-N 2 1 325.497 1.676 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001034047747 709301376 /nfs/dbraw/zinc/30/13/76/709301376.db2.gz KFUHKXIARMZYAO-DLBZAZTESA-N 2 1 325.497 1.676 20 0 EDADMP Cn1nc2c(c1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCC2 ZINC000921980606 709348879 /nfs/dbraw/zinc/34/88/79/709348879.db2.gz NRFFHVMWYKITOS-KRWDZBQOSA-N 2 1 340.471 1.765 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921981393 709350659 /nfs/dbraw/zinc/35/06/59/709350659.db2.gz TWWZLQVBYUGFBG-GOSISDBHSA-N 2 1 332.423 1.709 20 0 EDADMP Cc1csc(C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC001002832109 709443160 /nfs/dbraw/zinc/44/31/60/709443160.db2.gz JIUTYABHZOWADG-INIZCTEOSA-N 2 1 348.516 1.874 20 0 EDADMP C[C@H](c1cnccn1)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001032830134 709465896 /nfs/dbraw/zinc/46/58/96/709465896.db2.gz CGLVJMHZWHLJAT-FZKCQIBNSA-N 2 1 331.464 1.458 20 0 EDADMP C[C@H](c1cnccn1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032830134 709465898 /nfs/dbraw/zinc/46/58/98/709465898.db2.gz CGLVJMHZWHLJAT-FZKCQIBNSA-N 2 1 331.464 1.458 20 0 EDADMP C[C@H](c1cnccn1)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032830134 709465900 /nfs/dbraw/zinc/46/59/00/709465900.db2.gz CGLVJMHZWHLJAT-FZKCQIBNSA-N 2 1 331.464 1.458 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001032830134 709465901 /nfs/dbraw/zinc/46/59/01/709465901.db2.gz CGLVJMHZWHLJAT-FZKCQIBNSA-N 2 1 331.464 1.458 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001032830134 709465903 /nfs/dbraw/zinc/46/59/03/709465903.db2.gz CGLVJMHZWHLJAT-FZKCQIBNSA-N 2 1 331.464 1.458 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001034208967 709558051 /nfs/dbraw/zinc/55/80/51/709558051.db2.gz VPVQVGYGWXZDAJ-WMZOPIPTSA-N 2 1 346.475 1.796 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001034208967 709558052 /nfs/dbraw/zinc/55/80/52/709558052.db2.gz VPVQVGYGWXZDAJ-WMZOPIPTSA-N 2 1 346.475 1.796 20 0 EDADMP O=C(N[C@@H]1CCCC[N@H+](Cc2ccns2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034209579 709559249 /nfs/dbraw/zinc/55/92/49/709559249.db2.gz BSDIDEWCPQBLHF-WBVHZDCISA-N 2 1 348.516 1.956 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](Cc2ccns2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034209579 709559251 /nfs/dbraw/zinc/55/92/51/709559251.db2.gz BSDIDEWCPQBLHF-WBVHZDCISA-N 2 1 348.516 1.956 20 0 EDADMP CC(C)(C(=O)N[C@H]1CCCC[N@@H+](CCn2cncn2)C1)[NH+]1CCCC1 ZINC001034339563 709801115 /nfs/dbraw/zinc/80/11/15/709801115.db2.gz JAVZMXNWAQLAHN-INIZCTEOSA-N 2 1 348.495 1.123 20 0 EDADMP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)[C@H]1CCCc2[nH+]ccn21 ZINC001003016081 709803473 /nfs/dbraw/zinc/80/34/73/709803473.db2.gz JDEBLXMSQGIBGL-NVXWUHKLSA-N 2 1 346.475 1.768 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CCn3cccn3)C2)C1 ZINC001034395044 709932707 /nfs/dbraw/zinc/93/27/07/709932707.db2.gz ULDFZIRVPYVOAO-IAGOWNOFSA-N 2 1 333.480 1.196 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CCn3cccn3)C2)C1 ZINC001034395044 709932712 /nfs/dbraw/zinc/93/27/12/709932712.db2.gz ULDFZIRVPYVOAO-IAGOWNOFSA-N 2 1 333.480 1.196 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CCn3cccn3)C2)C1 ZINC001034395044 709932715 /nfs/dbraw/zinc/93/27/15/709932715.db2.gz ULDFZIRVPYVOAO-IAGOWNOFSA-N 2 1 333.480 1.196 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3cnn(C)c3)C2)C1 ZINC001034396727 709936765 /nfs/dbraw/zinc/93/67/65/709936765.db2.gz GRFBQCWEPATWQS-RDJZCZTQSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3cnn(C)c3)C2)C1 ZINC001034396727 709936766 /nfs/dbraw/zinc/93/67/66/709936766.db2.gz GRFBQCWEPATWQS-RDJZCZTQSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](Cc3cnn(C)c3)C2)C1 ZINC001034396727 709936769 /nfs/dbraw/zinc/93/67/69/709936769.db2.gz GRFBQCWEPATWQS-RDJZCZTQSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](Cc3cnn(C)c3)C2)C1 ZINC001034396727 709936772 /nfs/dbraw/zinc/93/67/72/709936772.db2.gz GRFBQCWEPATWQS-RDJZCZTQSA-N 2 1 333.480 1.233 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](CCCO)C2)cc1 ZINC001034405493 709953996 /nfs/dbraw/zinc/95/39/96/709953996.db2.gz RRLASJAPKNJHTO-LJQANCHMSA-N 2 1 347.503 1.757 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001003128792 710026427 /nfs/dbraw/zinc/02/64/27/710026427.db2.gz SAXOLZWLNZINDF-UHFFFAOYSA-N 2 1 345.491 1.377 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001034460166 710076773 /nfs/dbraw/zinc/07/67/73/710076773.db2.gz COCCCJMTZSAHEW-MSOLQXFVSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(Cc2ccnn2C)CC1 ZINC001003231761 710153162 /nfs/dbraw/zinc/15/31/62/710153162.db2.gz ZAJJADHCKPNEPQ-GOSISDBHSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001003231761 710153167 /nfs/dbraw/zinc/15/31/67/710153167.db2.gz ZAJJADHCKPNEPQ-GOSISDBHSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001003231761 710153171 /nfs/dbraw/zinc/15/31/71/710153171.db2.gz ZAJJADHCKPNEPQ-GOSISDBHSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)s1 ZINC001034524204 710172963 /nfs/dbraw/zinc/17/29/63/710172963.db2.gz DZBGEXZQVAUISG-HUUCEWRRSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001034524204 710172965 /nfs/dbraw/zinc/17/29/65/710172965.db2.gz DZBGEXZQVAUISG-HUUCEWRRSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001034524204 710172966 /nfs/dbraw/zinc/17/29/66/710172966.db2.gz DZBGEXZQVAUISG-HUUCEWRRSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1cccnc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528261 710181765 /nfs/dbraw/zinc/18/17/65/710181765.db2.gz LDJIHWKWDOYKQE-QGZVFWFLSA-N 2 1 330.476 1.957 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](C[C@H]2CCCOC2)C1 ZINC001034530105 710186028 /nfs/dbraw/zinc/18/60/28/710186028.db2.gz SREYLZGTQJGBTO-IAGOWNOFSA-N 2 1 334.464 1.589 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001034530105 710186030 /nfs/dbraw/zinc/18/60/30/710186030.db2.gz SREYLZGTQJGBTO-IAGOWNOFSA-N 2 1 334.464 1.589 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC001034608775 710281950 /nfs/dbraw/zinc/28/19/50/710281950.db2.gz GQPXNKDEUIENHT-RBSFLKMASA-N 2 1 346.479 1.293 20 0 EDADMP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)ccn1 ZINC001034610743 710284670 /nfs/dbraw/zinc/28/46/70/710284670.db2.gz DLLLQYSBWQPHMP-ULQDDVLXSA-N 2 1 346.475 1.701 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC001003636614 710456871 /nfs/dbraw/zinc/45/68/71/710456871.db2.gz WWFKTGLZCWKHFE-CXAGYDPISA-N 2 1 331.464 1.063 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC001003636614 710456872 /nfs/dbraw/zinc/45/68/72/710456872.db2.gz WWFKTGLZCWKHFE-CXAGYDPISA-N 2 1 331.464 1.063 20 0 EDADMP Cn1nccc1CC[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003630859 710460077 /nfs/dbraw/zinc/46/00/77/710460077.db2.gz OPWSHXJWULFKGR-UHFFFAOYSA-N 2 1 347.507 1.275 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003631728 710460670 /nfs/dbraw/zinc/46/06/70/710460670.db2.gz UTUAUIXOCZWERY-HNNXBMFYSA-N 2 1 345.491 1.850 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003631728 710460671 /nfs/dbraw/zinc/46/06/71/710460671.db2.gz UTUAUIXOCZWERY-HNNXBMFYSA-N 2 1 345.491 1.850 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034658755 710587669 /nfs/dbraw/zinc/58/76/69/710587669.db2.gz FBFNBLRFKVTHEK-KZNAEPCWSA-N 2 1 347.507 1.812 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001034694501 710768791 /nfs/dbraw/zinc/76/87/91/710768791.db2.gz VARCVFZLUWUMIA-RVKOJVRFSA-N 2 1 333.476 1.277 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCn3cccn3)CC2)C1 ZINC001034733330 710913552 /nfs/dbraw/zinc/91/35/52/710913552.db2.gz AMOFTWLSFJEUIP-BRWVUGGUSA-N 2 1 333.480 1.242 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC001034734796 710918072 /nfs/dbraw/zinc/91/80/72/710918072.db2.gz ZDSKJQOYZHPUDS-XIRDDKMYSA-N 2 1 345.491 1.644 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCn3cncn3)CC2)C1 ZINC001034736267 710923465 /nfs/dbraw/zinc/92/34/65/710923465.db2.gz VCYADEWOSRDRQJ-WKILWMFISA-N 2 1 348.495 1.027 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034736971 710947726 /nfs/dbraw/zinc/94/77/26/710947726.db2.gz FSXWUNSCJVZSKY-YYQUZTFQSA-N 2 1 334.464 1.698 20 0 EDADMP COc1ccc(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)cc1 ZINC001032959186 710982957 /nfs/dbraw/zinc/98/29/57/710982957.db2.gz FHPROFBAIOISNH-MJGOQNOKSA-N 2 1 345.487 1.865 20 0 EDADMP COc1ccc(CC[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001032959186 710982961 /nfs/dbraw/zinc/98/29/61/710982961.db2.gz FHPROFBAIOISNH-MJGOQNOKSA-N 2 1 345.487 1.865 20 0 EDADMP COc1ccc(CC[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001032959186 710982963 /nfs/dbraw/zinc/98/29/63/710982963.db2.gz FHPROFBAIOISNH-MJGOQNOKSA-N 2 1 345.487 1.865 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC001034776699 711054025 /nfs/dbraw/zinc/05/40/25/711054025.db2.gz XUUHBPSFYFQHIM-XSLAGTTESA-N 2 1 337.508 1.914 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001032979410 711101988 /nfs/dbraw/zinc/10/19/88/711101988.db2.gz HYRBAIQWCJMRJX-DLBZAZTESA-N 2 1 335.492 1.430 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001032979410 711101994 /nfs/dbraw/zinc/10/19/94/711101994.db2.gz HYRBAIQWCJMRJX-DLBZAZTESA-N 2 1 335.492 1.430 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001032979410 711101998 /nfs/dbraw/zinc/10/19/98/711101998.db2.gz HYRBAIQWCJMRJX-DLBZAZTESA-N 2 1 335.492 1.430 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001032979410 711102002 /nfs/dbraw/zinc/10/20/02/711102002.db2.gz HYRBAIQWCJMRJX-DLBZAZTESA-N 2 1 335.492 1.430 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2cnc(C)cn2)CC1 ZINC001034795217 711112755 /nfs/dbraw/zinc/11/27/55/711112755.db2.gz WPCWDZTYNCTBRB-WKILWMFISA-N 2 1 342.447 1.507 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](CCC2CCOCC2)CC1 ZINC001005720026 711126647 /nfs/dbraw/zinc/12/66/47/711126647.db2.gz YJIBMSIUKXQSRB-UHFFFAOYSA-N 2 1 348.491 1.931 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001034882549 711283980 /nfs/dbraw/zinc/28/39/80/711283980.db2.gz ARWJAEYSRBUVJL-HUUCEWRRSA-N 2 1 334.468 1.034 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001034882549 711283984 /nfs/dbraw/zinc/28/39/84/711283984.db2.gz ARWJAEYSRBUVJL-HUUCEWRRSA-N 2 1 334.468 1.034 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001034956921 711427423 /nfs/dbraw/zinc/42/74/23/711427423.db2.gz GMMQVIOKJJCYPX-OAHLLOKOSA-N 2 1 348.495 1.171 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)C2 ZINC000922388805 711432538 /nfs/dbraw/zinc/43/25/38/711432538.db2.gz RLJDQIHAJVBMSF-MTNOOBJLSA-N 2 1 331.460 1.355 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc3cnccn13)C2 ZINC000922385809 711445504 /nfs/dbraw/zinc/44/55/04/711445504.db2.gz AWHYCCRSLAGMLA-LMSBXDPUSA-N 2 1 329.448 1.299 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(N(C)C)n3C)C2)[C@@H]1C(C)C ZINC000922392737 711458338 /nfs/dbraw/zinc/45/83/38/711458338.db2.gz GVJPFPJUUBRXCX-VXNCWWDNSA-N 2 1 349.523 1.446 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC001004150336 711565625 /nfs/dbraw/zinc/56/56/25/711565625.db2.gz RDPKMQKGOLHQBG-MRXNPFEDSA-N 2 1 347.507 1.670 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC001004150336 711565626 /nfs/dbraw/zinc/56/56/26/711565626.db2.gz RDPKMQKGOLHQBG-MRXNPFEDSA-N 2 1 347.507 1.670 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](C[C@H](O)C3CCCCC3)CC2)C1 ZINC001004151340 711568949 /nfs/dbraw/zinc/56/89/49/711568949.db2.gz WZRHXRXKXNCLRY-WMZOPIPTSA-N 2 1 337.508 1.460 20 0 EDADMP COCC[N@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033121759 711841728 /nfs/dbraw/zinc/84/17/28/711841728.db2.gz HHDLEKRMFMQYMD-AWEZNQCLSA-N 2 1 325.478 1.602 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCF)CC2)O1 ZINC001004470168 711846524 /nfs/dbraw/zinc/84/65/24/711846524.db2.gz RDYXENGBJIOCPB-HYVNUMGLSA-N 2 1 341.471 1.378 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCF)CC2)O1 ZINC001004470168 711846526 /nfs/dbraw/zinc/84/65/26/711846526.db2.gz RDYXENGBJIOCPB-HYVNUMGLSA-N 2 1 341.471 1.378 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CCF)CC2)O1 ZINC001004470168 711846530 /nfs/dbraw/zinc/84/65/30/711846530.db2.gz RDYXENGBJIOCPB-HYVNUMGLSA-N 2 1 341.471 1.378 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CCF)CC2)O1 ZINC001004470168 711846532 /nfs/dbraw/zinc/84/65/32/711846532.db2.gz RDYXENGBJIOCPB-HYVNUMGLSA-N 2 1 341.471 1.378 20 0 EDADMP CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2Cc2cnon2)CC1)[NH+](C)C ZINC001004474971 711851792 /nfs/dbraw/zinc/85/17/92/711851792.db2.gz QGBPNXDYKRZBBO-IAGOWNOFSA-N 2 1 349.479 1.613 20 0 EDADMP C[C@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004476048 711855622 /nfs/dbraw/zinc/85/56/22/711855622.db2.gz BSGRMGMGKADNIU-FUHWJXTLSA-N 2 1 349.519 1.699 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033141362 711944097 /nfs/dbraw/zinc/94/40/97/711944097.db2.gz DZCBSXBOOUBEDD-FUHWJXTLSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033141362 711944100 /nfs/dbraw/zinc/94/41/00/711944100.db2.gz DZCBSXBOOUBEDD-FUHWJXTLSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033141362 711944101 /nfs/dbraw/zinc/94/41/01/711944101.db2.gz DZCBSXBOOUBEDD-FUHWJXTLSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033141362 711944102 /nfs/dbraw/zinc/94/41/02/711944102.db2.gz DZCBSXBOOUBEDD-FUHWJXTLSA-N 2 1 348.491 1.994 20 0 EDADMP O=C([C@H]1CCCc2nc[nH]c21)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004543420 711954193 /nfs/dbraw/zinc/95/41/93/711954193.db2.gz PGYSLLPJRRYNQQ-DOTOQJQBSA-N 2 1 346.475 1.525 20 0 EDADMP C[C@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001004598308 712041250 /nfs/dbraw/zinc/04/12/50/712041250.db2.gz WDBRFMFYJRBWBS-HOCLYGCPSA-N 2 1 348.491 1.771 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCC4CC4)C[C@H]3CC2)O1 ZINC000946640932 712115856 /nfs/dbraw/zinc/11/58/56/712115856.db2.gz YILBBDPOXZLENT-OQIJWPOYSA-N 2 1 349.519 1.676 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCC4CC4)C[C@H]3CC2)O1 ZINC000946640932 712115857 /nfs/dbraw/zinc/11/58/57/712115857.db2.gz YILBBDPOXZLENT-OQIJWPOYSA-N 2 1 349.519 1.676 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCC4CC4)C[C@H]3CC2)O1 ZINC000946640932 712115859 /nfs/dbraw/zinc/11/58/59/712115859.db2.gz YILBBDPOXZLENT-OQIJWPOYSA-N 2 1 349.519 1.676 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CCC4CC4)C[C@H]3CC2)O1 ZINC000946640932 712115861 /nfs/dbraw/zinc/11/58/61/712115861.db2.gz YILBBDPOXZLENT-OQIJWPOYSA-N 2 1 349.519 1.676 20 0 EDADMP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033151956 712140874 /nfs/dbraw/zinc/14/08/74/712140874.db2.gz MNQQSEWMPZPYAX-JKSUJKDBSA-N 2 1 342.447 1.190 20 0 EDADMP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033151956 712140875 /nfs/dbraw/zinc/14/08/75/712140875.db2.gz MNQQSEWMPZPYAX-JKSUJKDBSA-N 2 1 342.447 1.190 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)ccn1 ZINC000356253620 282109721 /nfs/dbraw/zinc/10/97/21/282109721.db2.gz LETXDJXPLWSZFC-LJQANCHMSA-N 2 1 346.475 1.580 20 0 EDADMP CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433007813 282148278 /nfs/dbraw/zinc/14/82/78/282148278.db2.gz BBGXZADOHQHHHB-HNNXBMFYSA-N 2 1 325.478 1.320 20 0 EDADMP CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000354836088 282170625 /nfs/dbraw/zinc/17/06/25/282170625.db2.gz AVXFHGJMXBNWEW-MOPGFXCFSA-N 2 1 344.503 1.574 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCC3(C)CC[NH2+]CC3)cc2)CC1 ZINC000183342827 529773759 /nfs/dbraw/zinc/77/37/59/529773759.db2.gz XXBPVYFZGMTDKU-UHFFFAOYSA-N 2 1 344.503 1.554 20 0 EDADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCc3nnnn3-c3ccccc3)C2)C1 ZINC000559311361 306253770 /nfs/dbraw/zinc/25/37/70/306253770.db2.gz MPSBQFNWXUEJBX-SFHVURJKSA-N 2 1 326.448 1.623 20 0 EDADMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3nnnn3-c3ccccc3)C2)C1 ZINC000559311361 306253771 /nfs/dbraw/zinc/25/37/71/306253771.db2.gz MPSBQFNWXUEJBX-SFHVURJKSA-N 2 1 326.448 1.623 20 0 EDADMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3nnnn3-c3ccccc3)C2)C1 ZINC000559311361 306253772 /nfs/dbraw/zinc/25/37/72/306253772.db2.gz MPSBQFNWXUEJBX-SFHVURJKSA-N 2 1 326.448 1.623 20 0 EDADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3nnnn3-c3ccccc3)C2)C1 ZINC000559311361 306253773 /nfs/dbraw/zinc/25/37/73/306253773.db2.gz MPSBQFNWXUEJBX-SFHVURJKSA-N 2 1 326.448 1.623 20 0 EDADMP Cc1ccc(S(=O)(=O)NCCN[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000177996540 232052946 /nfs/dbraw/zinc/05/29/46/232052946.db2.gz GSNGYPMWWURVBQ-LSDHHAIUSA-N 2 1 337.489 1.488 20 0 EDADMP Cc1ccc(S(=O)(=O)NCCN[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000177996540 232052949 /nfs/dbraw/zinc/05/29/49/232052949.db2.gz GSNGYPMWWURVBQ-LSDHHAIUSA-N 2 1 337.489 1.488 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000560541074 306274021 /nfs/dbraw/zinc/27/40/21/306274021.db2.gz NLHVFZOUYFKYTI-AWEZNQCLSA-N 2 1 328.526 1.549 20 0 EDADMP CCc1[nH]ccc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000560603021 306275580 /nfs/dbraw/zinc/27/55/80/306275580.db2.gz OUKCPRSZAKDWRS-XYPWUTKMSA-N 2 1 330.476 1.960 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000435622578 539567001 /nfs/dbraw/zinc/56/70/01/539567001.db2.gz SDAFZWVPGDQOJC-JYJNAYRXSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982025 306291813 /nfs/dbraw/zinc/29/18/13/306291813.db2.gz IIIUPHITEABZMJ-RDJZCZTQSA-N 2 1 332.496 1.000 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982025 306291814 /nfs/dbraw/zinc/29/18/14/306291814.db2.gz IIIUPHITEABZMJ-RDJZCZTQSA-N 2 1 332.496 1.000 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[N@@H+](C)C1 ZINC000344775503 539816602 /nfs/dbraw/zinc/81/66/02/539816602.db2.gz VSIJIFLZKHAWKB-ROUUACIJSA-N 2 1 349.475 1.005 20 0 EDADMP C[C@H]1C[C@@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000180999055 234057080 /nfs/dbraw/zinc/05/70/80/234057080.db2.gz KSAUNFKXKOBACU-YJBOKZPZSA-N 2 1 332.492 1.550 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CCN1C ZINC000180999055 234057084 /nfs/dbraw/zinc/05/70/84/234057084.db2.gz KSAUNFKXKOBACU-YJBOKZPZSA-N 2 1 332.492 1.550 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000154984118 539911866 /nfs/dbraw/zinc/91/18/66/539911866.db2.gz PQZSPDDLXVCTKE-KRWDZBQOSA-N 2 1 331.460 1.859 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000236849693 282904152 /nfs/dbraw/zinc/90/41/52/282904152.db2.gz XIAAZMAJCUZBNL-ZWKOTPCHSA-N 2 1 332.492 1.609 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000563117336 306319006 /nfs/dbraw/zinc/31/90/06/306319006.db2.gz YYNYFVXGQABIGR-IPMKNSEASA-N 2 1 345.487 1.911 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000563117336 306319007 /nfs/dbraw/zinc/31/90/07/306319007.db2.gz YYNYFVXGQABIGR-IPMKNSEASA-N 2 1 345.487 1.911 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC000248122611 283049113 /nfs/dbraw/zinc/04/91/13/283049113.db2.gz UQBNUYBHZJTABZ-QZTJIDSGSA-N 2 1 328.460 1.921 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC000248122611 283049116 /nfs/dbraw/zinc/04/91/16/283049116.db2.gz UQBNUYBHZJTABZ-QZTJIDSGSA-N 2 1 328.460 1.921 20 0 EDADMP O=S1(=O)CCCN1c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000184957446 540145995 /nfs/dbraw/zinc/14/59/95/540145995.db2.gz DMPSEETYWDCCJF-DLBZAZTESA-N 2 1 349.500 1.943 20 0 EDADMP O=S1(=O)CCCN1c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000184957446 540145998 /nfs/dbraw/zinc/14/59/98/540145998.db2.gz DMPSEETYWDCCJF-DLBZAZTESA-N 2 1 349.500 1.943 20 0 EDADMP C[N@H+](CCc1nccs1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093843978 138294903 /nfs/dbraw/zinc/29/49/03/138294903.db2.gz XSVPGONYSBZXQQ-UHFFFAOYSA-N 2 1 332.477 1.359 20 0 EDADMP C[N@@H+](CCc1nccs1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093843978 138294904 /nfs/dbraw/zinc/29/49/04/138294904.db2.gz XSVPGONYSBZXQQ-UHFFFAOYSA-N 2 1 332.477 1.359 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000564318541 306358121 /nfs/dbraw/zinc/35/81/21/306358121.db2.gz MRJBLPMPBXHTMO-ZWKOTPCHSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000564318541 306358122 /nfs/dbraw/zinc/35/81/22/306358122.db2.gz MRJBLPMPBXHTMO-ZWKOTPCHSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000564318541 306358123 /nfs/dbraw/zinc/35/81/23/306358123.db2.gz MRJBLPMPBXHTMO-ZWKOTPCHSA-N 2 1 330.476 1.846 20 0 EDADMP C[N@@H+](C[C@@H](O)CNc1ccc(CC[NH+]2CCOCC2)cc1)C1CC1 ZINC000564723467 306363688 /nfs/dbraw/zinc/36/36/88/306363688.db2.gz JZXVKLKIFJGPQJ-IBGZPJMESA-N 2 1 333.476 1.428 20 0 EDADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)Cn1cccn1 ZINC000564847346 306367133 /nfs/dbraw/zinc/36/71/33/306367133.db2.gz BDISLYKCSMMGBZ-CVEARBPZSA-N 2 1 334.489 1.807 20 0 EDADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)Cn1cccn1 ZINC000564847346 306367134 /nfs/dbraw/zinc/36/71/34/306367134.db2.gz BDISLYKCSMMGBZ-CVEARBPZSA-N 2 1 334.489 1.807 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000565155696 306376369 /nfs/dbraw/zinc/37/63/69/306376369.db2.gz GULPAHKCRSTHAW-UXLLHSPISA-N 2 1 339.842 1.803 20 0 EDADMP COC(=O)c1cnc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)s1 ZINC000414096181 304099941 /nfs/dbraw/zinc/09/99/41/304099941.db2.gz HLUFBCHKQYCUNV-LBPRGKRZSA-N 2 1 340.493 1.606 20 0 EDADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000370122605 296103410 /nfs/dbraw/zinc/10/34/10/296103410.db2.gz OGRFJUFVTBYGLU-IEBWSBKVSA-N 2 1 349.519 1.964 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)CC2 ZINC000566553705 306419301 /nfs/dbraw/zinc/41/93/01/306419301.db2.gz QZNOJPYZEWGHIK-OAHLLOKOSA-N 2 1 330.432 1.937 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000566727585 306426383 /nfs/dbraw/zinc/42/63/83/306426383.db2.gz OPVFJMWRDBTJRJ-SJORKVTESA-N 2 1 345.491 1.248 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000415028662 304152016 /nfs/dbraw/zinc/15/20/16/304152016.db2.gz CXCBBAHLPOIOOV-NOLJZWGESA-N 2 1 330.432 1.197 20 0 EDADMP C[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@H](O)C[NH3+] ZINC000415068910 304156500 /nfs/dbraw/zinc/15/65/00/304156500.db2.gz NVOAMIJEVXWZMI-MRXNPFEDSA-N 2 1 329.448 1.812 20 0 EDADMP C[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@H](O)C[NH3+] ZINC000415068910 304156503 /nfs/dbraw/zinc/15/65/03/304156503.db2.gz NVOAMIJEVXWZMI-MRXNPFEDSA-N 2 1 329.448 1.812 20 0 EDADMP C[N@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C[C@@H](O)C[NH3+] ZINC000415070940 304157041 /nfs/dbraw/zinc/15/70/41/304157041.db2.gz RSIITBLZBATCHA-ZDUSSCGKSA-N 2 1 328.338 1.643 20 0 EDADMP CC(C)C[C@@H]([NH3+])CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000415092978 304159276 /nfs/dbraw/zinc/15/92/76/304159276.db2.gz UOKLKHOBXLWTHO-RTBURBONSA-N 2 1 346.519 1.847 20 0 EDADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000415092978 304159277 /nfs/dbraw/zinc/15/92/77/304159277.db2.gz UOKLKHOBXLWTHO-RTBURBONSA-N 3 1 346.519 1.847 20 0 EDADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000415092978 304159279 /nfs/dbraw/zinc/15/92/79/304159279.db2.gz UOKLKHOBXLWTHO-RTBURBONSA-N 3 1 346.519 1.847 20 0 EDADMP C[C@H](C[NH3+])NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415137583 304163171 /nfs/dbraw/zinc/16/31/71/304163171.db2.gz FSLMCKAXUSBQMS-CQSZACIVSA-N 2 1 345.447 1.442 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000415137093 304163198 /nfs/dbraw/zinc/16/31/98/304163198.db2.gz DVGMERROUFWEDX-BBRMVZONSA-N 2 1 330.432 1.040 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccc1F ZINC000415144148 304164185 /nfs/dbraw/zinc/16/41/85/304164185.db2.gz UPIKAKGPDISEDK-QZTJIDSGSA-N 2 1 346.450 1.854 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C[C@@H]1C ZINC000415154753 304166587 /nfs/dbraw/zinc/16/65/87/304166587.db2.gz VOXQSXPGYRBPTK-KBPBESRZSA-N 2 1 332.448 1.286 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C[C@@H]1C ZINC000415154753 304166588 /nfs/dbraw/zinc/16/65/88/304166588.db2.gz VOXQSXPGYRBPTK-KBPBESRZSA-N 2 1 332.448 1.286 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236750567 139030331 /nfs/dbraw/zinc/03/03/31/139030331.db2.gz KOYHNBMYOMIPFQ-MRXNPFEDSA-N 2 1 348.495 1.587 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000236959753 139036476 /nfs/dbraw/zinc/03/64/76/139036476.db2.gz OKHXZTHDVSSSGH-IBGZPJMESA-N 2 1 344.503 1.582 20 0 EDADMP C[NH2+]CC1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000237080168 139039959 /nfs/dbraw/zinc/03/99/59/139039959.db2.gz OPUJKJYBCCXQSI-UHFFFAOYSA-N 2 1 344.503 1.506 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000237137181 139041842 /nfs/dbraw/zinc/04/18/42/139041842.db2.gz GDIKHLURMSEYMO-RTBURBONSA-N 2 1 344.503 1.390 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000237214283 139044564 /nfs/dbraw/zinc/04/45/64/139044564.db2.gz YVJUKHVYQSYULY-ZWKOTPCHSA-N 2 1 330.476 1.291 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)C[C@H]3CSCC[NH2+]3)CC2)[nH+]1 ZINC000237712949 139058424 /nfs/dbraw/zinc/05/84/24/139058424.db2.gz HQGLIUQOOMODHI-HNNXBMFYSA-N 2 1 334.489 1.570 20 0 EDADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000245453191 139075533 /nfs/dbraw/zinc/07/55/33/139075533.db2.gz FIVLVUQEODESKT-QFBILLFUSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000245453191 139075534 /nfs/dbraw/zinc/07/55/34/139075534.db2.gz FIVLVUQEODESKT-QFBILLFUSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245453191 139075535 /nfs/dbraw/zinc/07/55/35/139075535.db2.gz FIVLVUQEODESKT-QFBILLFUSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245453191 139075536 /nfs/dbraw/zinc/07/55/36/139075536.db2.gz FIVLVUQEODESKT-QFBILLFUSA-N 2 1 345.487 1.865 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415251790 304179231 /nfs/dbraw/zinc/17/92/31/304179231.db2.gz AFIWAQNRYOHFOK-KRWDZBQOSA-N 2 1 344.459 1.212 20 0 EDADMP COC(=O)CCn1nc(C)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000245703851 139083835 /nfs/dbraw/zinc/08/38/35/139083835.db2.gz BSCLCTNHYSSTRE-WMZOPIPTSA-N 2 1 348.491 1.979 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(N4CCOCC4)s3)CC[C@H]21 ZINC000245720769 139084230 /nfs/dbraw/zinc/08/42/30/139084230.db2.gz DIJLXROVRDRFMK-GOEBONIOSA-N 2 1 336.505 1.896 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(N4CCOCC4)s3)CC[C@H]21 ZINC000245720769 139084231 /nfs/dbraw/zinc/08/42/31/139084231.db2.gz DIJLXROVRDRFMK-GOEBONIOSA-N 2 1 336.505 1.896 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(N4CCOCC4)s3)CC[C@H]21 ZINC000245720769 139084232 /nfs/dbraw/zinc/08/42/32/139084232.db2.gz DIJLXROVRDRFMK-GOEBONIOSA-N 2 1 336.505 1.896 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(N4CCOCC4)s3)CC[C@H]21 ZINC000245720769 139084233 /nfs/dbraw/zinc/08/42/33/139084233.db2.gz DIJLXROVRDRFMK-GOEBONIOSA-N 2 1 336.505 1.896 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000245912315 139089472 /nfs/dbraw/zinc/08/94/72/139089472.db2.gz JPSMADYWVMCSNA-QZTJIDSGSA-N 2 1 336.524 1.489 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000245912315 139089473 /nfs/dbraw/zinc/08/94/73/139089473.db2.gz JPSMADYWVMCSNA-QZTJIDSGSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000245930338 139090410 /nfs/dbraw/zinc/09/04/10/139090410.db2.gz SGZKYWPCHRQUDJ-CRAIPNDOSA-N 2 1 336.480 1.119 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)N3CCC(C)CC3)C2)CC1 ZINC000245935302 139090638 /nfs/dbraw/zinc/09/06/38/139090638.db2.gz SBXJBXMRAIAHEV-MSOLQXFVSA-N 2 1 336.524 1.345 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000246032345 139092884 /nfs/dbraw/zinc/09/28/84/139092884.db2.gz NTOXHNAIQNIBHN-GJZGRUSLSA-N 2 1 336.484 1.639 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246279102 139102127 /nfs/dbraw/zinc/10/21/27/139102127.db2.gz MKLZCEPKOVPOAL-FHWLQOOXSA-N 2 1 345.487 1.911 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246279102 139102128 /nfs/dbraw/zinc/10/21/28/139102128.db2.gz MKLZCEPKOVPOAL-FHWLQOOXSA-N 2 1 345.487 1.911 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000246488112 139110468 /nfs/dbraw/zinc/11/04/68/139110468.db2.gz SBEWABGAXRELCP-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCCC1(C)C ZINC000415305664 304190127 /nfs/dbraw/zinc/19/01/27/304190127.db2.gz WVANBABFCONTMY-UHFFFAOYSA-N 2 1 346.475 1.725 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000247077054 139134507 /nfs/dbraw/zinc/13/45/07/139134507.db2.gz OPALXYMZZDGGGK-RDJZCZTQSA-N 2 1 337.464 1.622 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000247077054 139134508 /nfs/dbraw/zinc/13/45/08/139134508.db2.gz OPALXYMZZDGGGK-RDJZCZTQSA-N 2 1 337.464 1.622 20 0 EDADMP COCc1ccccc1CNC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248063607 139158000 /nfs/dbraw/zinc/15/80/00/139158000.db2.gz MAZVVJHLGWCTOI-IEBWSBKVSA-N 2 1 345.487 1.865 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCC2CCC2)[C@@H](C)C1 ZINC000249397841 139192671 /nfs/dbraw/zinc/19/26/71/139192671.db2.gz BHRBUUXOLLRNQN-RDJZCZTQSA-N 2 1 325.497 1.629 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCC2CCC2)[C@@H](C)C1 ZINC000249397841 139192672 /nfs/dbraw/zinc/19/26/72/139192672.db2.gz BHRBUUXOLLRNQN-RDJZCZTQSA-N 2 1 325.497 1.629 20 0 EDADMP O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000261694277 139218141 /nfs/dbraw/zinc/21/81/41/139218141.db2.gz OAAGVKFNSLKNSN-KRWDZBQOSA-N 2 1 331.460 1.525 20 0 EDADMP CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261885385 139233945 /nfs/dbraw/zinc/23/39/45/139233945.db2.gz FVAKRLYKOOWUQN-KZNAEPCWSA-N 2 1 331.460 1.683 20 0 EDADMP CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)no1 ZINC000261930653 139237989 /nfs/dbraw/zinc/23/79/89/139237989.db2.gz LNLFMJSOEWCMIZ-GJZGRUSLSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)no1 ZINC000261930653 139237990 /nfs/dbraw/zinc/23/79/90/139237990.db2.gz LNLFMJSOEWCMIZ-GJZGRUSLSA-N 2 1 335.452 1.054 20 0 EDADMP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261919303 139237062 /nfs/dbraw/zinc/23/70/62/139237062.db2.gz YMTALRYABPNNRG-AUUYWEPGSA-N 2 1 328.460 1.886 20 0 EDADMP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261919303 139237063 /nfs/dbraw/zinc/23/70/63/139237063.db2.gz YMTALRYABPNNRG-AUUYWEPGSA-N 2 1 328.460 1.886 20 0 EDADMP CCCOc1ccc(OCC[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261953560 139239583 /nfs/dbraw/zinc/23/95/83/139239583.db2.gz WTPLUZWJIADLRK-UHFFFAOYSA-N 2 1 335.448 1.218 20 0 EDADMP CCCOc1ccc(OCC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261953560 139239584 /nfs/dbraw/zinc/23/95/84/139239584.db2.gz WTPLUZWJIADLRK-UHFFFAOYSA-N 2 1 335.448 1.218 20 0 EDADMP C[NH2+][C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000261982185 139241688 /nfs/dbraw/zinc/24/16/88/139241688.db2.gz ILRNJBCCOWYZOA-GOSISDBHSA-N 2 1 341.459 1.415 20 0 EDADMP C[NH2+][C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000261982185 139241689 /nfs/dbraw/zinc/24/16/89/139241689.db2.gz ILRNJBCCOWYZOA-GOSISDBHSA-N 2 1 341.459 1.415 20 0 EDADMP COc1ccc(OC)c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261991492 139242247 /nfs/dbraw/zinc/24/22/47/139242247.db2.gz SVSGUSSTFCPAOT-KZNAEPCWSA-N 2 1 334.460 1.993 20 0 EDADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000262018709 139244292 /nfs/dbraw/zinc/24/42/92/139244292.db2.gz XCSAGEBEHCRQGE-UHFFFAOYSA-N 2 1 335.448 1.964 20 0 EDADMP C[C@@H]1CCN(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000262074884 139248865 /nfs/dbraw/zinc/24/88/65/139248865.db2.gz KGSSZWQCAJZSOH-GOSISDBHSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@@H]1CCN(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000262074884 139248866 /nfs/dbraw/zinc/24/88/66/139248866.db2.gz KGSSZWQCAJZSOH-GOSISDBHSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000262074884 139248864 /nfs/dbraw/zinc/24/88/64/139248864.db2.gz KGSSZWQCAJZSOH-GOSISDBHSA-N 2 1 344.503 1.405 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000262279935 139266134 /nfs/dbraw/zinc/26/61/34/139266134.db2.gz KRNTWKCYCFOBOO-DOTOQJQBSA-N 2 1 348.466 1.581 20 0 EDADMP CC[C@H](CNC(=O)N1CC[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417020149 251134989 /nfs/dbraw/zinc/13/49/89/251134989.db2.gz RRRFTIDZBWKLQH-CRAIPNDOSA-N 2 1 330.476 1.814 20 0 EDADMP CC[C@@H](CNC(=O)N[C@H](C[NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000417023647 251136471 /nfs/dbraw/zinc/13/64/71/251136471.db2.gz WBYKLGIGLZQZFN-ZWKOTPCHSA-N 2 1 330.476 1.860 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)C[C@H]12 ZINC000417021062 251136663 /nfs/dbraw/zinc/13/66/63/251136663.db2.gz JTODVOZJMJCJRO-GBESFXJTSA-N 2 1 342.487 1.814 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416999317 251125089 /nfs/dbraw/zinc/12/50/89/251125089.db2.gz BYQODMFEARHSDZ-ROUUACIJSA-N 2 1 328.460 1.438 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000417026183 251139675 /nfs/dbraw/zinc/13/96/75/251139675.db2.gz SMMMFXVJHJGSSA-KRWDZBQOSA-N 2 1 347.507 1.231 20 0 EDADMP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000417087391 251141413 /nfs/dbraw/zinc/14/14/13/251141413.db2.gz ZYNVJAWNGPNNJC-MSOLQXFVSA-N 2 1 330.476 1.826 20 0 EDADMP C[NH2+]CCNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000417097686 251142774 /nfs/dbraw/zinc/14/27/74/251142774.db2.gz AWWCPOJEGOYTIS-GJZGRUSLSA-N 2 1 334.464 1.314 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417254518 251149684 /nfs/dbraw/zinc/14/96/84/251149684.db2.gz DMDFSXUBBPMVOY-ZFWWWQNUSA-N 2 1 334.489 1.357 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417254518 251149688 /nfs/dbraw/zinc/14/96/88/251149688.db2.gz DMDFSXUBBPMVOY-ZFWWWQNUSA-N 2 1 334.489 1.357 20 0 EDADMP CC[NH2+]CCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417270169 251151105 /nfs/dbraw/zinc/15/11/05/251151105.db2.gz NDQBFVKPVJDZNB-OAHLLOKOSA-N 2 1 334.464 1.316 20 0 EDADMP CC[NH2+]CCNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417270169 251151108 /nfs/dbraw/zinc/15/11/08/251151108.db2.gz NDQBFVKPVJDZNB-OAHLLOKOSA-N 2 1 334.464 1.316 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@H](C[NH3+])C3CC3)c2)CCO1 ZINC000417271320 251151232 /nfs/dbraw/zinc/15/12/32/251151232.db2.gz QIXFRZAOUANDDY-KBXCAEBGSA-N 2 1 346.475 1.444 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@H](C[NH3+])C3CC3)c2)CCO1 ZINC000417271320 251151236 /nfs/dbraw/zinc/15/12/36/251151236.db2.gz QIXFRZAOUANDDY-KBXCAEBGSA-N 2 1 346.475 1.444 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417271452 251151280 /nfs/dbraw/zinc/15/12/80/251151280.db2.gz QSLOWCYCPYTZIG-PBHICJAKSA-N 2 1 334.464 1.444 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417271452 251151283 /nfs/dbraw/zinc/15/12/83/251151283.db2.gz QSLOWCYCPYTZIG-PBHICJAKSA-N 2 1 334.464 1.444 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417306814 251153344 /nfs/dbraw/zinc/15/33/44/251153344.db2.gz AROLKVUMRJFSMU-DNVCBOLYSA-N 2 1 348.466 1.776 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)[N@H+]1CCc2ccccc2C1 ZINC000417306814 251153346 /nfs/dbraw/zinc/15/33/46/251153346.db2.gz AROLKVUMRJFSMU-DNVCBOLYSA-N 2 1 348.466 1.776 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417438653 251174665 /nfs/dbraw/zinc/17/46/65/251174665.db2.gz KBWLQTGWUCBTEJ-GOSISDBHSA-N 2 1 344.459 1.717 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417573027 251192577 /nfs/dbraw/zinc/19/25/77/251192577.db2.gz WHPBOKSKGZBPLG-ZWKOTPCHSA-N 2 1 348.491 1.877 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cn1 ZINC000262380510 139274768 /nfs/dbraw/zinc/27/47/68/139274768.db2.gz MVHTXCOQVRVDCH-QFBILLFUSA-N 2 1 339.443 1.972 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)N(C)CC[NH3+])CC2)cs1 ZINC000417602410 251203677 /nfs/dbraw/zinc/20/36/77/251203677.db2.gz VMGKBWVGRSLEFR-UHFFFAOYSA-N 2 1 339.509 1.518 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)CC2)[nH+]1 ZINC000417687333 251229557 /nfs/dbraw/zinc/22/95/57/251229557.db2.gz CHNKWGCGCQBBQR-GJZGRUSLSA-N 2 1 331.464 1.751 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@](C)(C[NH3+])C2)[C@H](C)C1 ZINC000417669652 251221473 /nfs/dbraw/zinc/22/14/73/251221473.db2.gz MNWDEDAHVGSRTR-RYRKJORJSA-N 2 1 340.512 1.504 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)C3C[NH2+]C3)C2)cc(OC)c1 ZINC000262418810 139277814 /nfs/dbraw/zinc/27/78/14/139277814.db2.gz RNCATGULFVJMQU-XJKSGUPXSA-N 2 1 347.459 1.250 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C)C3C[NH2+]C3)C2)cc(OC)c1 ZINC000262418810 139277815 /nfs/dbraw/zinc/27/78/15/139277815.db2.gz RNCATGULFVJMQU-XJKSGUPXSA-N 2 1 347.459 1.250 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C[NH3+])C1CCCCC1)C[NH+]1CCOCC1 ZINC000417709087 251238200 /nfs/dbraw/zinc/23/82/00/251238200.db2.gz CFJBDQFJQBDYCT-GDBMZVCRSA-N 2 1 326.485 1.162 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000417751092 251254286 /nfs/dbraw/zinc/25/42/86/251254286.db2.gz LBFXOAZZESKFHB-HOTGVXAUSA-N 2 1 327.517 1.077 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417792422 251272546 /nfs/dbraw/zinc/27/25/46/251272546.db2.gz KCLBLICHIJRQJR-KBPBESRZSA-N 2 1 330.423 1.547 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417823467 251284906 /nfs/dbraw/zinc/28/49/06/251284906.db2.gz KXDAOVUBAURHSX-NQYYFHDYSA-N 2 1 342.487 1.900 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000417880066 251310776 /nfs/dbraw/zinc/31/07/76/251310776.db2.gz SJRPSECCPNDSGM-OWYHZJEWSA-N 2 1 342.487 1.900 20 0 EDADMP CC[NH2+]CCNC(=O)N[C@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417882345 251312832 /nfs/dbraw/zinc/31/28/32/251312832.db2.gz DSAWYLFRQLVSMA-MSOLQXFVSA-N 2 1 348.491 1.575 20 0 EDADMP CC[NH2+]CCNC(=O)N[C@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417882345 251312836 /nfs/dbraw/zinc/31/28/36/251312836.db2.gz DSAWYLFRQLVSMA-MSOLQXFVSA-N 2 1 348.491 1.575 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418077156 251321436 /nfs/dbraw/zinc/32/14/36/251321436.db2.gz SOXDGVGSXGFRTQ-RDJZCZTQSA-N 2 1 334.464 1.314 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCO1 ZINC000418109434 251324524 /nfs/dbraw/zinc/32/45/24/251324524.db2.gz CSRNTOYLLOPDLL-YYIAUSFCSA-N 2 1 338.496 1.175 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C[C@H]1C ZINC000418473254 251374185 /nfs/dbraw/zinc/37/41/85/251374185.db2.gz XHDRHHHZHGMRJX-CABCVRRESA-N 2 1 334.464 1.568 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C[C@H]1C ZINC000418473254 251374189 /nfs/dbraw/zinc/37/41/89/251374189.db2.gz XHDRHHHZHGMRJX-CABCVRRESA-N 2 1 334.464 1.568 20 0 EDADMP C[C@@H](C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000262531767 139284568 /nfs/dbraw/zinc/28/45/68/139284568.db2.gz MCPRMPQPZCQIGJ-OWCLPIDISA-N 2 1 345.487 1.768 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418346190 251362295 /nfs/dbraw/zinc/36/22/95/251362295.db2.gz UIVDOHOAYNIKDZ-KRWDZBQOSA-N 2 1 333.480 1.545 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)C[C@@H]1C ZINC000418386370 251363856 /nfs/dbraw/zinc/36/38/56/251363856.db2.gz QARIRDXYIQJARE-HOCLYGCPSA-N 2 1 326.485 1.256 20 0 EDADMP COCC[N@H+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)C[C@@H]1C ZINC000418386370 251363860 /nfs/dbraw/zinc/36/38/60/251363860.db2.gz QARIRDXYIQJARE-HOCLYGCPSA-N 2 1 326.485 1.256 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)CCCC[NH3+] ZINC000418705294 251389966 /nfs/dbraw/zinc/38/99/66/251389966.db2.gz RZKXRDUVFIPOKW-HOCLYGCPSA-N 2 1 334.464 1.869 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC2)cn1 ZINC000418716843 251395286 /nfs/dbraw/zinc/39/52/86/251395286.db2.gz ZVRCKPIRFFUTEZ-CABCVRRESA-N 2 1 336.484 1.246 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC2)cn1 ZINC000418716843 251395290 /nfs/dbraw/zinc/39/52/90/251395290.db2.gz ZVRCKPIRFFUTEZ-CABCVRRESA-N 2 1 336.484 1.246 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418719823 251397248 /nfs/dbraw/zinc/39/72/48/251397248.db2.gz LEDVQIMZTJIXIR-CVEARBPZSA-N 2 1 339.528 1.171 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418719823 251397251 /nfs/dbraw/zinc/39/72/51/251397251.db2.gz LEDVQIMZTJIXIR-CVEARBPZSA-N 2 1 339.528 1.171 20 0 EDADMP O=C(NCCC1=CC[NH2+]CC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000418638330 251382341 /nfs/dbraw/zinc/38/23/41/251382341.db2.gz KNJVECVKCWPUQV-AEFFLSMTSA-N 2 1 332.492 1.955 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(NCC[C@H]2CCC[NH2+]C2)n1 ZINC000420198631 251640521 /nfs/dbraw/zinc/64/05/21/251640521.db2.gz LZTGLEOFVREUPL-RYRKJORJSA-N 2 1 347.507 1.738 20 0 EDADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422902316 252017297 /nfs/dbraw/zinc/01/72/97/252017297.db2.gz MTXWEQRTIVELPA-CYBMUJFWSA-N 2 1 325.478 1.413 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000423344310 252047575 /nfs/dbraw/zinc/04/75/75/252047575.db2.gz XPGIHMNGNXRLDN-GJZGRUSLSA-N 2 1 333.480 1.349 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000423856342 252091934 /nfs/dbraw/zinc/09/19/34/252091934.db2.gz ZPAJQUNWVXWPPI-CQSZACIVSA-N 2 1 332.448 1.145 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000424023203 252117404 /nfs/dbraw/zinc/11/74/04/252117404.db2.gz PUZMKRWOYWMIOW-BBWFWOEESA-N 2 1 335.423 1.188 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000424023203 252117407 /nfs/dbraw/zinc/11/74/07/252117407.db2.gz PUZMKRWOYWMIOW-BBWFWOEESA-N 2 1 335.423 1.188 20 0 EDADMP [NH3+][C@@H]1CCc2ncc(NC(=O)c3c[nH]nc3[C@@H]3CCC[NH2+]C3)cc2C1 ZINC000424154498 252147575 /nfs/dbraw/zinc/14/75/75/252147575.db2.gz MNQIBSHADQIBNI-DGCLKSJQSA-N 2 1 340.431 1.340 20 0 EDADMP Cc1cccn2c(=O)cc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)nc12 ZINC000424285048 252190596 /nfs/dbraw/zinc/19/05/96/252190596.db2.gz DZEULQKJXLDLSU-OAHLLOKOSA-N 2 1 326.444 1.967 20 0 EDADMP O=C(c1ccoc1)N1CCC([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424365738 252200852 /nfs/dbraw/zinc/20/08/52/252200852.db2.gz HTZOVTQBHPXYTB-ZDUSSCGKSA-N 2 1 327.375 1.719 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000424467192 252241032 /nfs/dbraw/zinc/24/10/32/252241032.db2.gz MPWNMJHDKIYKEB-XJKSGUPXSA-N 2 1 332.448 1.191 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424438172 252231284 /nfs/dbraw/zinc/23/12/84/252231284.db2.gz PJHANKDNNLOWNY-CQSZACIVSA-N 2 1 348.447 1.555 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424476024 252245998 /nfs/dbraw/zinc/24/59/98/252245998.db2.gz ZUEZOMNLMDAVPM-INIZCTEOSA-N 2 1 332.448 1.383 20 0 EDADMP COCC[NH+]1CCC([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358046402 285011979 /nfs/dbraw/zinc/01/19/79/285011979.db2.gz ZFSWRQIXROYBOM-IRXDYDNUSA-N 3 1 327.513 1.576 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000449931565 285015358 /nfs/dbraw/zinc/01/53/58/285015358.db2.gz PFKXZTFCNFPJAW-SFHVURJKSA-N 2 1 337.508 1.964 20 0 EDADMP COCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449931565 285015359 /nfs/dbraw/zinc/01/53/59/285015359.db2.gz PFKXZTFCNFPJAW-SFHVURJKSA-N 2 1 337.508 1.964 20 0 EDADMP COCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449931565 285015360 /nfs/dbraw/zinc/01/53/60/285015360.db2.gz PFKXZTFCNFPJAW-SFHVURJKSA-N 2 1 337.508 1.964 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000569791906 306520152 /nfs/dbraw/zinc/52/01/52/306520152.db2.gz KPRACOUSNVXBRR-UHFFFAOYSA-N 2 1 332.448 1.518 20 0 EDADMP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)cnc12 ZINC000263126795 139323777 /nfs/dbraw/zinc/32/37/77/139323777.db2.gz BJCASHCQCOFKQF-MFKMUULPSA-N 2 1 339.237 1.075 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000112512015 220341851 /nfs/dbraw/zinc/34/18/51/220341851.db2.gz VPLQHAFEYRZJLV-HNNXBMFYSA-N 2 1 334.464 1.201 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC[NH+](C)CCOC)c1 ZINC000263765818 139358874 /nfs/dbraw/zinc/35/88/74/139358874.db2.gz MENGCWLICOAZQC-UHFFFAOYSA-N 2 1 336.480 1.516 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)NCC[N@H+](C)CCOC)c1 ZINC000263765818 139358875 /nfs/dbraw/zinc/35/88/75/139358875.db2.gz MENGCWLICOAZQC-UHFFFAOYSA-N 2 1 336.480 1.516 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)NCC[N@@H+](C)CCOC)c1 ZINC000263765818 139358876 /nfs/dbraw/zinc/35/88/76/139358876.db2.gz MENGCWLICOAZQC-UHFFFAOYSA-N 2 1 336.480 1.516 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000488582213 255045199 /nfs/dbraw/zinc/04/51/99/255045199.db2.gz WHLWRPKKMSIGMW-UHFFFAOYSA-N 2 1 332.492 1.504 20 0 EDADMP Cc1nc2ccc(C[NH2+]CCC(=O)N3CC[NH+](C)CC3)cc2s1 ZINC000494129168 255238838 /nfs/dbraw/zinc/23/88/38/255238838.db2.gz WZCXLURFIXBACJ-UHFFFAOYSA-N 2 1 332.473 1.858 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000494740395 255260151 /nfs/dbraw/zinc/26/01/51/255260151.db2.gz PGVLWTMRVMWRGS-GASCZTMLSA-N 2 1 334.464 1.511 20 0 EDADMP CCN1CC[N@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000495679055 255314603 /nfs/dbraw/zinc/31/46/03/255314603.db2.gz GCPKKLQDYZIWAQ-MRXNPFEDSA-N 2 1 340.512 1.565 20 0 EDADMP CCN1CC[N@@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000495679055 255314604 /nfs/dbraw/zinc/31/46/04/255314604.db2.gz GCPKKLQDYZIWAQ-MRXNPFEDSA-N 2 1 340.512 1.565 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1c(C)n[nH]c1C ZINC000337578497 285276579 /nfs/dbraw/zinc/27/65/79/285276579.db2.gz LENUQFOMEIJFQA-KRWDZBQOSA-N 2 1 349.523 1.834 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)C ZINC000355386442 285282639 /nfs/dbraw/zinc/28/26/39/285282639.db2.gz QWPPGYHUDXGEIR-HNNXBMFYSA-N 2 1 333.542 1.710 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)C ZINC000355386442 285282641 /nfs/dbraw/zinc/28/26/41/285282641.db2.gz QWPPGYHUDXGEIR-HNNXBMFYSA-N 2 1 333.542 1.710 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000264032010 139376770 /nfs/dbraw/zinc/37/67/70/139376770.db2.gz LTOWEVYUOPDBFL-HNNXBMFYSA-N 2 1 328.420 1.421 20 0 EDADMP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000118879801 221200718 /nfs/dbraw/zinc/20/07/18/221200718.db2.gz VHDGEDPWDWCHQX-MRXNPFEDSA-N 2 1 335.492 1.622 20 0 EDADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000358003227 285321662 /nfs/dbraw/zinc/32/16/62/285321662.db2.gz NFFDUZKTOLGIJT-IAGOWNOFSA-N 2 1 341.544 1.288 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000358003227 285321663 /nfs/dbraw/zinc/32/16/63/285321663.db2.gz NFFDUZKTOLGIJT-IAGOWNOFSA-N 2 1 341.544 1.288 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000358003227 285321664 /nfs/dbraw/zinc/32/16/64/285321664.db2.gz NFFDUZKTOLGIJT-IAGOWNOFSA-N 2 1 341.544 1.288 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262641563 285322107 /nfs/dbraw/zinc/32/21/07/285322107.db2.gz KXSFMGUZSGKLJR-ZIFCJYIRSA-N 2 1 346.519 1.712 20 0 EDADMP CCOCCC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000119565311 221349448 /nfs/dbraw/zinc/34/94/48/221349448.db2.gz GVQXVGILKXBZND-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000415924022 304285594 /nfs/dbraw/zinc/28/55/94/304285594.db2.gz QHSUVYPQTFAHQC-CQSZACIVSA-N 2 1 334.464 1.715 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C[C@H](C)O1 ZINC000416050453 304287211 /nfs/dbraw/zinc/28/72/11/304287211.db2.gz RTVDVVVDHDTASH-TUAOUCFPSA-N 2 1 340.390 1.017 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C[C@H](C)O1 ZINC000416050453 304287213 /nfs/dbraw/zinc/28/72/13/304287213.db2.gz RTVDVVVDHDTASH-TUAOUCFPSA-N 2 1 340.390 1.017 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267290573 139594978 /nfs/dbraw/zinc/59/49/78/139594978.db2.gz XQOZQCIGWMWXMY-YSIASYRMSA-N 2 1 347.503 1.495 20 0 EDADMP Cn1cnc2cc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)ccc21 ZINC000271861718 140362419 /nfs/dbraw/zinc/36/24/19/140362419.db2.gz YZHIRPQBPWAUOL-UHFFFAOYSA-N 2 1 327.476 1.787 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C[C@@H](C)O1 ZINC000333149612 141272346 /nfs/dbraw/zinc/27/23/46/141272346.db2.gz FCJLZRMJMGOFGO-KBUPBQIOSA-N 2 1 326.485 1.171 20 0 EDADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c2ccccc21 ZINC000333244154 141286857 /nfs/dbraw/zinc/28/68/57/141286857.db2.gz FKDFDCYWOSQTDE-CSMYWGQOSA-N 2 1 335.473 1.677 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@H]3CCCC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000333564405 141337412 /nfs/dbraw/zinc/33/74/12/141337412.db2.gz LSLMPSVBSAPJQA-INIZCTEOSA-N 2 1 346.479 1.504 20 0 EDADMP C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333810111 141385727 /nfs/dbraw/zinc/38/57/27/141385727.db2.gz FKJFSZNHBBEITN-HZMVEIRTSA-N 2 1 335.492 1.382 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCn1ccnc1 ZINC000339526272 142066205 /nfs/dbraw/zinc/06/62/05/142066205.db2.gz CJYSSBZGHRLBLS-INIZCTEOSA-N 2 1 349.479 1.160 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC[N@@H+]1C ZINC000339610645 142092506 /nfs/dbraw/zinc/09/25/06/142092506.db2.gz MGESXGXTUCZMOB-INIZCTEOSA-N 2 1 340.512 1.020 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC[N@H+]1C ZINC000339610645 142092507 /nfs/dbraw/zinc/09/25/07/142092507.db2.gz MGESXGXTUCZMOB-INIZCTEOSA-N 2 1 340.512 1.020 20 0 EDADMP CC[N@H+](CCNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)C(C)C ZINC000340037544 142243796 /nfs/dbraw/zinc/24/37/96/142243796.db2.gz NIQLIVUUTZRKSI-UHFFFAOYSA-N 2 1 331.420 1.428 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)C(C)C ZINC000340037544 142243798 /nfs/dbraw/zinc/24/37/98/142243798.db2.gz NIQLIVUUTZRKSI-UHFFFAOYSA-N 2 1 331.420 1.428 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000340200848 142300879 /nfs/dbraw/zinc/30/08/79/142300879.db2.gz DYRZSGBXILYEEN-GJZGRUSLSA-N 2 1 349.479 1.077 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000340347066 142352472 /nfs/dbraw/zinc/35/24/72/142352472.db2.gz GLFATQFDSSZLSF-HOTGVXAUSA-N 2 1 340.512 1.071 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000344822203 143016012 /nfs/dbraw/zinc/01/60/12/143016012.db2.gz GHHMBNJGLLEJDJ-ULQDDVLXSA-N 2 1 327.513 1.920 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000345630355 143114273 /nfs/dbraw/zinc/11/42/73/143114273.db2.gz LTNPVPCMEVBNFS-INIZCTEOSA-N 2 1 342.528 1.453 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]([NH3+])CC(F)F)c1 ZINC000345706467 143123726 /nfs/dbraw/zinc/12/37/26/143123726.db2.gz HFPNLQFVRPVRJF-CHWSQXEVSA-N 2 1 340.374 1.057 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]([NH3+])CC(F)F)c1 ZINC000345706467 143123727 /nfs/dbraw/zinc/12/37/27/143123727.db2.gz HFPNLQFVRPVRJF-CHWSQXEVSA-N 2 1 340.374 1.057 20 0 EDADMP C[C@H](C(=O)N1CCN(CC[NH+](C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000346101218 143167747 /nfs/dbraw/zinc/16/77/47/143167747.db2.gz CHCXMBUGKUJCPE-QGZVFWFLSA-N 2 1 344.503 1.139 20 0 EDADMP Cc1[nH+]ccn1CCN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000346309594 143190216 /nfs/dbraw/zinc/19/02/16/143190216.db2.gz MRWLMVXRHZQQRI-UHFFFAOYSA-N 2 1 334.386 1.778 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)C2(C[NH+](C)C)CCCCC2)[N@@H+](C)C1 ZINC000346700960 143234212 /nfs/dbraw/zinc/23/42/12/143234212.db2.gz JBFNEWMVTSBBTC-HOTGVXAUSA-N 2 1 325.497 1.676 20 0 EDADMP COC1CC([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000347324319 143308506 /nfs/dbraw/zinc/30/85/06/143308506.db2.gz ZOURDFDEQIQGRA-AOCRQIFASA-N 2 1 331.460 1.651 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NCCCCn2cc[nH+]c2C)[N@H+](C)C1 ZINC000347516494 143331216 /nfs/dbraw/zinc/33/12/16/143331216.db2.gz OVHRZEXDHQSDRQ-CVEARBPZSA-N 2 1 337.468 1.332 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NCCCCn2cc[nH+]c2C)[N@@H+](C)C1 ZINC000347516494 143331217 /nfs/dbraw/zinc/33/12/17/143331217.db2.gz OVHRZEXDHQSDRQ-CVEARBPZSA-N 2 1 337.468 1.332 20 0 EDADMP Cn1[nH]c(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc1=O ZINC000347536895 143332623 /nfs/dbraw/zinc/33/26/23/143332623.db2.gz IAJVYKZFAZSOGF-UHFFFAOYSA-N 2 1 341.459 1.597 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)[N@@H+](C)C1 ZINC000348054223 143396183 /nfs/dbraw/zinc/39/61/83/143396183.db2.gz WYOKUMJNUKLGBN-HZPDHXFCSA-N 2 1 340.512 1.469 20 0 EDADMP COC1(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)CCOCC1 ZINC000368050454 292111112 /nfs/dbraw/zinc/11/11/12/292111112.db2.gz GEKCGPLXXVDWGO-QGZVFWFLSA-N 2 1 325.497 1.141 20 0 EDADMP CCCCOC(=O)CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000369766808 155168972 /nfs/dbraw/zinc/16/89/72/155168972.db2.gz ODNWTTHPLTUGRT-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000416845421 304351394 /nfs/dbraw/zinc/35/13/94/304351394.db2.gz RSAPHKYCVUMQFO-OKZBNKHCSA-N 2 1 328.460 1.512 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[C@@H](C)C1 ZINC000417666629 286058573 /nfs/dbraw/zinc/05/85/73/286058573.db2.gz DJYDWBWGZPRTCH-YHUYYLMFSA-N 2 1 326.485 1.255 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000417667394 286061143 /nfs/dbraw/zinc/06/11/43/286061143.db2.gz GRIBJLVQQUXYSY-ULQDDVLXSA-N 2 1 340.512 1.565 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)C(C)C ZINC000340485809 149052681 /nfs/dbraw/zinc/05/26/81/149052681.db2.gz FZALPXMMMAXFFB-UHFFFAOYSA-N 2 1 348.491 1.211 20 0 EDADMP C[C@H]1CCC[N@H+](CCCCNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000352662966 149105585 /nfs/dbraw/zinc/10/55/85/149105585.db2.gz CDUBOAIAXMDGNO-INIZCTEOSA-N 2 1 342.553 1.847 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000352662966 149105589 /nfs/dbraw/zinc/10/55/89/149105589.db2.gz CDUBOAIAXMDGNO-INIZCTEOSA-N 2 1 342.553 1.847 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000353132994 149298285 /nfs/dbraw/zinc/29/82/85/149298285.db2.gz ZRQISKWONIWELE-UHFFFAOYSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000353299832 149356355 /nfs/dbraw/zinc/35/63/55/149356355.db2.gz FQAUDLSAQKFNRB-MRXNPFEDSA-N 2 1 332.492 1.959 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416975666 304359133 /nfs/dbraw/zinc/35/91/33/304359133.db2.gz ZINHOLLJPWHVII-RVKKMQEKSA-N 2 1 348.491 1.832 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC[C@@H](C)O)CC2)CC1 ZINC000354872608 150004875 /nfs/dbraw/zinc/00/48/75/150004875.db2.gz QPOZIUJLOHFMNT-MRXNPFEDSA-N 2 1 325.497 1.414 20 0 EDADMP CC(C)COC[C@H](O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000354899432 150019680 /nfs/dbraw/zinc/01/96/80/150019680.db2.gz AQLNFPIMFIMMCB-GUDVDZBRSA-N 2 1 341.540 1.510 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354904408 150023120 /nfs/dbraw/zinc/02/31/20/150023120.db2.gz JQGRPOYUZIEQSV-MSOLQXFVSA-N 2 1 340.508 1.741 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H](CO)c1ccsc1)c1ccccc1 ZINC000355040994 150087134 /nfs/dbraw/zinc/08/71/34/150087134.db2.gz OHYHXPBTGYYTNX-SJORKVTESA-N 2 1 347.484 1.790 20 0 EDADMP COCC1(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000262442217 292221197 /nfs/dbraw/zinc/22/11/97/292221197.db2.gz YFHOXIWEMMOQCP-OWCLPIDISA-N 2 1 325.497 1.485 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC[C@@H]1n1cc(CO)nn1 ZINC000355275491 150195715 /nfs/dbraw/zinc/19/57/15/150195715.db2.gz AVBRTAQUJQTJTL-SJORKVTESA-N 2 1 332.452 1.829 20 0 EDADMP CCC(CC)[C@@H](C(=O)NCC[N@@H+]1CC=C(C)CC1)N1CCOCC1 ZINC000355338292 150223128 /nfs/dbraw/zinc/22/31/28/150223128.db2.gz RLEQCTNVMYJWNN-SFHVURJKSA-N 2 1 337.508 1.892 20 0 EDADMP CCC(CC)[C@@H](C(=O)NCCN1CC=C(C)CC1)N1CCOCC1 ZINC000355338292 150223129 /nfs/dbraw/zinc/22/31/29/150223129.db2.gz RLEQCTNVMYJWNN-SFHVURJKSA-N 2 1 337.508 1.892 20 0 EDADMP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000355592793 150328703 /nfs/dbraw/zinc/32/87/03/150328703.db2.gz BUOROVULPSIJLH-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000355592793 150328706 /nfs/dbraw/zinc/32/87/06/150328706.db2.gz BUOROVULPSIJLH-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000370018533 155282597 /nfs/dbraw/zinc/28/25/97/155282597.db2.gz NMZPSUFYOXVUPC-MSOLQXFVSA-N 2 1 336.524 1.251 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000370018533 155282603 /nfs/dbraw/zinc/28/26/03/155282603.db2.gz NMZPSUFYOXVUPC-MSOLQXFVSA-N 2 1 336.524 1.251 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000370018533 155282611 /nfs/dbraw/zinc/28/26/11/155282611.db2.gz NMZPSUFYOXVUPC-MSOLQXFVSA-N 2 1 336.524 1.251 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417047200 304366304 /nfs/dbraw/zinc/36/63/04/304366304.db2.gz UGPNLIHHZXAYPI-HZPDHXFCSA-N 2 1 333.480 1.186 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000246567569 286219979 /nfs/dbraw/zinc/21/99/79/286219979.db2.gz UTIFASPTFVLITL-CVEARBPZSA-N 2 1 347.459 1.536 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000246567569 286219980 /nfs/dbraw/zinc/21/99/80/286219980.db2.gz UTIFASPTFVLITL-CVEARBPZSA-N 2 1 347.459 1.536 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000357635470 151094238 /nfs/dbraw/zinc/09/42/38/151094238.db2.gz DYWZQLPSNXHXEX-IRXDYDNUSA-N 2 1 342.528 1.761 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000357635470 151094239 /nfs/dbraw/zinc/09/42/39/151094239.db2.gz DYWZQLPSNXHXEX-IRXDYDNUSA-N 2 1 342.528 1.761 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000357765892 151144044 /nfs/dbraw/zinc/14/40/44/151144044.db2.gz STTCAQBAEDYZLO-CQSZACIVSA-N 2 1 330.542 1.843 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000357915131 151194016 /nfs/dbraw/zinc/19/40/16/151194016.db2.gz IPRFVIWCZOVCPT-SJORKVTESA-N 2 1 341.544 1.432 20 0 EDADMP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000357926918 151198817 /nfs/dbraw/zinc/19/88/17/151198817.db2.gz KPIMINGKLWANIO-WSTZPKSXSA-N 2 1 343.471 1.224 20 0 EDADMP CC[N@H+]1CC[C@@H](NCc2cccc(NS(C)(=O)=O)c2)[C@H](C)C1 ZINC000358082105 151263640 /nfs/dbraw/zinc/26/36/40/151263640.db2.gz IZNRABXDJDBIFM-CZUORRHYSA-N 2 1 325.478 1.878 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)[C@H](C)C1 ZINC000358082105 151263642 /nfs/dbraw/zinc/26/36/42/151263642.db2.gz IZNRABXDJDBIFM-CZUORRHYSA-N 2 1 325.478 1.878 20 0 EDADMP C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C1=CC[N@@H+](C)CC1 ZINC000358107719 151273348 /nfs/dbraw/zinc/27/33/48/151273348.db2.gz ZMABRWCWMMYPHB-WBVHZDCISA-N 2 1 338.496 1.389 20 0 EDADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358224233 151311386 /nfs/dbraw/zinc/31/13/86/151311386.db2.gz BMMZIPSOIAIVFJ-KBXCAEBGSA-N 2 1 334.464 1.934 20 0 EDADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358224233 151311387 /nfs/dbraw/zinc/31/13/87/151311387.db2.gz BMMZIPSOIAIVFJ-KBXCAEBGSA-N 2 1 334.464 1.934 20 0 EDADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000358498476 151396341 /nfs/dbraw/zinc/39/63/41/151396341.db2.gz CHRGZXVOFCIYBO-HNNXBMFYSA-N 2 1 345.443 1.060 20 0 EDADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000358498476 151396344 /nfs/dbraw/zinc/39/63/44/151396344.db2.gz CHRGZXVOFCIYBO-HNNXBMFYSA-N 2 1 345.443 1.060 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)[C@@H](C)C1 ZINC000360793088 152206756 /nfs/dbraw/zinc/20/67/56/152206756.db2.gz CSMZCFKQSWCOTA-BBWFWOEESA-N 2 1 342.528 1.763 20 0 EDADMP CCC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000360861923 152233581 /nfs/dbraw/zinc/23/35/81/152233581.db2.gz VYZRJWQCHHGQPP-GOSISDBHSA-N 2 1 333.476 1.601 20 0 EDADMP CCC[NH+](C)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000360861923 152233583 /nfs/dbraw/zinc/23/35/83/152233583.db2.gz VYZRJWQCHHGQPP-GOSISDBHSA-N 2 1 333.476 1.601 20 0 EDADMP CCC[NH+](C)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000360861923 152233585 /nfs/dbraw/zinc/23/35/85/152233585.db2.gz VYZRJWQCHHGQPP-GOSISDBHSA-N 2 1 333.476 1.601 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000361250400 152345484 /nfs/dbraw/zinc/34/54/84/152345484.db2.gz JBNVDWWJKYZORV-TZMCWYRMSA-N 2 1 331.420 1.737 20 0 EDADMP CO[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000361350736 152369042 /nfs/dbraw/zinc/36/90/42/152369042.db2.gz ICROHXNAXCGYSB-LJQANCHMSA-N 2 1 345.487 1.796 20 0 EDADMP CO[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000361350736 152369044 /nfs/dbraw/zinc/36/90/44/152369044.db2.gz ICROHXNAXCGYSB-LJQANCHMSA-N 2 1 345.487 1.796 20 0 EDADMP COc1ccc(NC(=O)C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000574062322 306642462 /nfs/dbraw/zinc/64/24/62/306642462.db2.gz DGORLTQSXGPAMJ-IEBWSBKVSA-N 2 1 347.459 1.852 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2([NH+](C)C)CCOc3ccccc32)C1 ZINC000363959706 153107546 /nfs/dbraw/zinc/10/75/46/153107546.db2.gz FNKRBKBBSLCNRD-BEFAXECRSA-N 2 1 331.460 1.779 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(C)COC1 ZINC000364688592 153303883 /nfs/dbraw/zinc/30/38/83/153303883.db2.gz YGCBWEAETCMNAW-UHFFFAOYSA-N 2 1 337.508 1.678 20 0 EDADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NC3CC3)C2)c1 ZINC000364730066 153316746 /nfs/dbraw/zinc/31/67/46/153316746.db2.gz ZRFLHSHFIUGYPW-UONOGXRCSA-N 2 1 345.447 1.501 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000364734809 153319054 /nfs/dbraw/zinc/31/90/54/153319054.db2.gz LGKBTGKAIRVLKG-OAFZBRQQSA-N 2 1 337.508 1.756 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364740302 153320181 /nfs/dbraw/zinc/32/01/81/153320181.db2.gz QUZHXPDFRLNXGG-CVEARBPZSA-N 2 1 331.460 1.984 20 0 EDADMP Cc1cccc(NC2CCN(C(=O)[C@H]([NH3+])C3CCOCC3)CC2)[nH+]1 ZINC000367182941 154031893 /nfs/dbraw/zinc/03/18/93/154031893.db2.gz AGXJIUJKMSCZAX-QGZVFWFLSA-N 2 1 332.448 1.547 20 0 EDADMP C[C@H](C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1)CS(C)(=O)=O ZINC000367209505 154041848 /nfs/dbraw/zinc/04/18/48/154041848.db2.gz RDRFWIOQCPFAQI-CABCVRRESA-N 2 1 328.522 1.863 20 0 EDADMP CC(C)c1nc(C2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000367273384 154061588 /nfs/dbraw/zinc/06/15/88/154061588.db2.gz CKTBFAVFOUVFIW-UHFFFAOYSA-N 2 1 349.479 1.537 20 0 EDADMP C[C@@H](O)c1ncc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000367301406 154071239 /nfs/dbraw/zinc/07/12/39/154071239.db2.gz QZYDNBCGGWJIIK-CYBMUJFWSA-N 2 1 325.478 1.741 20 0 EDADMP C[N@@H+]1CCC[C@H](C[NH2+]CCNS(C)(=O)=O)[C@H]1c1ccccc1 ZINC000367483452 154144565 /nfs/dbraw/zinc/14/45/65/154144565.db2.gz MOAYPODFLZUFOY-HZPDHXFCSA-N 2 1 325.478 1.208 20 0 EDADMP C[N@H+]1CCC[C@H](C[NH2+]CCNS(C)(=O)=O)[C@H]1c1ccccc1 ZINC000367483452 154144568 /nfs/dbraw/zinc/14/45/68/154144568.db2.gz MOAYPODFLZUFOY-HZPDHXFCSA-N 2 1 325.478 1.208 20 0 EDADMP CC(C)Cn1cc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cn1 ZINC000367719521 154243622 /nfs/dbraw/zinc/24/36/22/154243622.db2.gz ICTWGGSKOWYQPW-GOSISDBHSA-N 2 1 333.524 1.999 20 0 EDADMP CC(C)Cn1cc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cn1 ZINC000367719521 154243627 /nfs/dbraw/zinc/24/36/27/154243627.db2.gz ICTWGGSKOWYQPW-GOSISDBHSA-N 2 1 333.524 1.999 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CCCO1 ZINC000368067168 154394641 /nfs/dbraw/zinc/39/46/41/154394641.db2.gz VEPPVDNRPQGISU-FUHWJXTLSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417342044 304392697 /nfs/dbraw/zinc/39/26/97/304392697.db2.gz OLGSVUMVOKNNLA-RVKKMQEKSA-N 2 1 330.476 1.860 20 0 EDADMP C[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000417348738 304393621 /nfs/dbraw/zinc/39/36/21/304393621.db2.gz ZCFFFAHPEOMOPH-MAUKXSAKSA-N 2 1 330.476 1.956 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1[NH+](C)C ZINC000369501802 155061301 /nfs/dbraw/zinc/06/13/01/155061301.db2.gz URKDFTZUHIOYSJ-QZTJIDSGSA-N 2 1 348.491 1.218 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000369635468 155117704 /nfs/dbraw/zinc/11/77/04/155117704.db2.gz CUFLDVNWPKFDKE-MRXNPFEDSA-N 2 1 333.480 1.867 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000371598336 156024110 /nfs/dbraw/zinc/02/41/10/156024110.db2.gz GMXZWAXBWMCMBJ-MSOLQXFVSA-N 2 1 345.491 1.687 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000371598336 156024112 /nfs/dbraw/zinc/02/41/12/156024112.db2.gz GMXZWAXBWMCMBJ-MSOLQXFVSA-N 2 1 345.491 1.687 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000371598336 156024114 /nfs/dbraw/zinc/02/41/14/156024114.db2.gz GMXZWAXBWMCMBJ-MSOLQXFVSA-N 2 1 345.491 1.687 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]1[C@H]1CCC[NH+]1C ZINC000369795966 292335154 /nfs/dbraw/zinc/33/51/54/292335154.db2.gz VPYBQJRHQGQOIM-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000369795966 292335156 /nfs/dbraw/zinc/33/51/56/292335156.db2.gz VPYBQJRHQGQOIM-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000369795966 292335158 /nfs/dbraw/zinc/33/51/58/292335158.db2.gz VPYBQJRHQGQOIM-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+](CC(=O)N(C)C1CC[NH+](Cc2cc(C)no2)CC1)C1CC1 ZINC000372151147 156242639 /nfs/dbraw/zinc/24/26/39/156242639.db2.gz ZTYNTKYWIWMLOD-UHFFFAOYSA-N 2 1 334.464 1.890 20 0 EDADMP CC[N@@H+](CC(=O)N(C)C1CC[NH+](Cc2cc(C)no2)CC1)C1CC1 ZINC000372151147 156242642 /nfs/dbraw/zinc/24/26/42/156242642.db2.gz ZTYNTKYWIWMLOD-UHFFFAOYSA-N 2 1 334.464 1.890 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000372311159 156325231 /nfs/dbraw/zinc/32/52/31/156325231.db2.gz IEBCHXNNZDEITQ-UHFFFAOYSA-N 2 1 327.432 1.825 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000372311159 156325233 /nfs/dbraw/zinc/32/52/33/156325233.db2.gz IEBCHXNNZDEITQ-UHFFFAOYSA-N 2 1 327.432 1.825 20 0 EDADMP C[C@@H]1CN(C(=O)C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000372420699 156381200 /nfs/dbraw/zinc/38/12/00/156381200.db2.gz NCRZACSKUUKGLF-SOLBZPMBSA-N 2 1 337.508 1.819 20 0 EDADMP COCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000374201855 157192053 /nfs/dbraw/zinc/19/20/53/157192053.db2.gz LYPQVYSHZHEPIL-UHFFFAOYSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374298194 157230026 /nfs/dbraw/zinc/23/00/26/157230026.db2.gz UKDPNJANNAWMTD-YJBOKZPZSA-N 2 1 330.476 1.243 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374298194 157230028 /nfs/dbraw/zinc/23/00/28/157230028.db2.gz UKDPNJANNAWMTD-YJBOKZPZSA-N 2 1 330.476 1.243 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2COc2ccc(F)cc2)CC1 ZINC000374618118 157346934 /nfs/dbraw/zinc/34/69/34/157346934.db2.gz GEHXERGDJGHWMQ-KRWDZBQOSA-N 2 1 349.450 1.833 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2COc2ccc(F)cc2)CC1 ZINC000374618118 157346937 /nfs/dbraw/zinc/34/69/37/157346937.db2.gz GEHXERGDJGHWMQ-KRWDZBQOSA-N 2 1 349.450 1.833 20 0 EDADMP Cc1cc(N2CCC([N@@H+](C)CCc3ccnn3C)CC2)nc(C)[nH+]1 ZINC000374768040 157394159 /nfs/dbraw/zinc/39/41/59/157394159.db2.gz PIIBNQGEGAKHDB-UHFFFAOYSA-N 2 1 328.464 1.970 20 0 EDADMP Cc1cc(N2CCC([N@H+](C)CCc3ccnn3C)CC2)nc(C)[nH+]1 ZINC000374768040 157394162 /nfs/dbraw/zinc/39/41/62/157394162.db2.gz PIIBNQGEGAKHDB-UHFFFAOYSA-N 2 1 328.464 1.970 20 0 EDADMP C[N@H+](CC(=O)N1CCOCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374778614 157397140 /nfs/dbraw/zinc/39/71/40/157397140.db2.gz JIXOIXGGVNWQLV-UHFFFAOYSA-N 2 1 332.448 1.089 20 0 EDADMP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377953630 158038005 /nfs/dbraw/zinc/03/80/05/158038005.db2.gz VFBXFPSMTYFZHJ-SFHVURJKSA-N 2 1 342.503 1.295 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377953630 158038006 /nfs/dbraw/zinc/03/80/06/158038006.db2.gz VFBXFPSMTYFZHJ-SFHVURJKSA-N 2 1 342.503 1.295 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377953630 158038008 /nfs/dbraw/zinc/03/80/08/158038008.db2.gz VFBXFPSMTYFZHJ-SFHVURJKSA-N 2 1 342.503 1.295 20 0 EDADMP Cc1[nH+]c(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)c2n1CCCC2 ZINC000378417596 158168446 /nfs/dbraw/zinc/16/84/46/158168446.db2.gz COLSDKMJDCGBMD-HNNXBMFYSA-N 2 1 349.479 1.174 20 0 EDADMP CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000378537027 158203735 /nfs/dbraw/zinc/20/37/35/158203735.db2.gz ITOAEWNCSPFGPS-ZDUSSCGKSA-N 2 1 331.424 1.627 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000352221061 162057750 /nfs/dbraw/zinc/05/77/50/162057750.db2.gz GGOZWZXAZGLLCQ-IRXDYDNUSA-N 2 1 342.528 1.717 20 0 EDADMP COCc1ccccc1/C=C(/C)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000352436180 162179981 /nfs/dbraw/zinc/17/99/81/162179981.db2.gz ZZECFNZNIAUFMB-VKAVYKQESA-N 2 1 345.487 1.990 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NCCCN1CCCCCC1=O ZINC000352508872 162220911 /nfs/dbraw/zinc/22/09/11/162220911.db2.gz IDVYEPHMFVIYTL-INIZCTEOSA-N 2 1 338.496 1.099 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NCCCN1CCCCCC1=O ZINC000352508872 162220913 /nfs/dbraw/zinc/22/09/13/162220913.db2.gz IDVYEPHMFVIYTL-INIZCTEOSA-N 2 1 338.496 1.099 20 0 EDADMP CCCOc1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000352526747 162232333 /nfs/dbraw/zinc/23/23/33/162232333.db2.gz RIKROSDVVFAAEW-QGZVFWFLSA-N 2 1 333.476 1.964 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NCC2(C[NH+](C)C)CCCC2)n1C ZINC000352552230 162248863 /nfs/dbraw/zinc/24/88/63/162248863.db2.gz STUGCUHRTLETCR-UHFFFAOYSA-N 2 1 336.484 1.407 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417768412 287086065 /nfs/dbraw/zinc/08/60/65/287086065.db2.gz FGIWJCQGFFFPFD-MRXNPFEDSA-N 2 1 347.503 1.913 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000074879619 287274069 /nfs/dbraw/zinc/27/40/69/287274069.db2.gz HHMRHZZBXVRELY-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000074879619 287274070 /nfs/dbraw/zinc/27/40/70/287274070.db2.gz HHMRHZZBXVRELY-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)C[NH+](C)[C@@H]2CCSC2)C[C@H](C)O1 ZINC000089935563 287326258 /nfs/dbraw/zinc/32/62/58/287326258.db2.gz XLVXKIPSXUPCLB-QLFBSQMISA-N 2 1 329.510 1.039 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)C[N@H+](C)[C@@H]2CCSC2)C[C@H](C)O1 ZINC000089935563 287326259 /nfs/dbraw/zinc/32/62/59/287326259.db2.gz XLVXKIPSXUPCLB-QLFBSQMISA-N 2 1 329.510 1.039 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)C[N@@H+](C)[C@@H]2CCSC2)C[C@H](C)O1 ZINC000089935563 287326260 /nfs/dbraw/zinc/32/62/60/287326260.db2.gz XLVXKIPSXUPCLB-QLFBSQMISA-N 2 1 329.510 1.039 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000111735449 287338315 /nfs/dbraw/zinc/33/83/15/287338315.db2.gz GOQNOQUSILKXEL-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000111735449 287338316 /nfs/dbraw/zinc/33/83/16/287338316.db2.gz GOQNOQUSILKXEL-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCCC(C)(C)CO ZINC000122736125 287382771 /nfs/dbraw/zinc/38/27/71/287382771.db2.gz AFKDOFLBFDFUIZ-UHFFFAOYSA-N 2 1 342.528 1.453 20 0 EDADMP COC1(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000164924633 226104418 /nfs/dbraw/zinc/10/44/18/226104418.db2.gz MZPUZBMNJYITIL-UHFFFAOYSA-N 2 1 345.487 1.708 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH+](C)C)CCOCC1 ZINC000168345018 226212720 /nfs/dbraw/zinc/21/27/20/226212720.db2.gz KGVJAPGXXIHLCZ-MJGOQNOKSA-N 2 1 346.519 1.992 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH+](C)C)CCOCC1 ZINC000168345018 226212724 /nfs/dbraw/zinc/21/27/24/226212724.db2.gz KGVJAPGXXIHLCZ-MJGOQNOKSA-N 2 1 346.519 1.992 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[NH+](CC2CC2)CC1 ZINC000122127039 222020086 /nfs/dbraw/zinc/02/00/86/222020086.db2.gz RPYRCUGCLDUWQH-UHFFFAOYSA-N 2 1 342.487 1.782 20 0 EDADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCSC1 ZINC000122570629 222114906 /nfs/dbraw/zinc/11/49/06/222114906.db2.gz XGZXDSAJNHGKCB-JKSUJKDBSA-N 2 1 325.522 1.804 20 0 EDADMP C[NH+](CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCSC1 ZINC000122570629 222114911 /nfs/dbraw/zinc/11/49/11/222114911.db2.gz XGZXDSAJNHGKCB-JKSUJKDBSA-N 2 1 325.522 1.804 20 0 EDADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCSC1 ZINC000122570629 222114913 /nfs/dbraw/zinc/11/49/13/222114913.db2.gz XGZXDSAJNHGKCB-JKSUJKDBSA-N 2 1 325.522 1.804 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@@H](C)C1 ZINC000665762509 452339662 /nfs/dbraw/zinc/33/96/62/452339662.db2.gz GWTJRWULESZNLZ-HRCADAONSA-N 2 1 328.501 1.467 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H](C)C1 ZINC000665762509 452339671 /nfs/dbraw/zinc/33/96/71/452339671.db2.gz GWTJRWULESZNLZ-HRCADAONSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000665763937 452347945 /nfs/dbraw/zinc/34/79/45/452347945.db2.gz POSZNIWFPGVJAX-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000665763937 452347958 /nfs/dbraw/zinc/34/79/58/452347958.db2.gz POSZNIWFPGVJAX-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCCC2(C[NH3+])CC2)CC[N@H+]1CCOC ZINC000652238427 452425279 /nfs/dbraw/zinc/42/52/79/452425279.db2.gz GJYKLXWKGXOMKJ-OAHLLOKOSA-N 2 1 326.485 1.258 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000274490034 268149353 /nfs/dbraw/zinc/14/93/53/268149353.db2.gz FERHVMNDQILOIN-UHFFFAOYSA-N 2 1 344.503 1.821 20 0 EDADMP CCCNC(=O)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274811636 268212351 /nfs/dbraw/zinc/21/23/51/268212351.db2.gz IAUYNADJZAKMHJ-RDJZCZTQSA-N 2 1 346.475 1.722 20 0 EDADMP CCCNC(=O)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274811636 268212352 /nfs/dbraw/zinc/21/23/52/268212352.db2.gz IAUYNADJZAKMHJ-RDJZCZTQSA-N 2 1 346.475 1.722 20 0 EDADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@@H](O)Cn3cccn3)C1)CCCC2 ZINC000275209752 268300079 /nfs/dbraw/zinc/30/00/79/268300079.db2.gz ATDJHOXQIWDTDL-HZPDHXFCSA-N 2 1 329.448 1.575 20 0 EDADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@@H](O)Cn3cccn3)C1)CCCC2 ZINC000275209752 268300082 /nfs/dbraw/zinc/30/00/82/268300082.db2.gz ATDJHOXQIWDTDL-HZPDHXFCSA-N 2 1 329.448 1.575 20 0 EDADMP C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)N(C)Cc1ccccc1 ZINC000275395198 268336388 /nfs/dbraw/zinc/33/63/88/268336388.db2.gz DHQQSHQGKMQNGW-IAGOWNOFSA-N 2 1 347.503 1.811 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000275543905 268358036 /nfs/dbraw/zinc/35/80/36/268358036.db2.gz SWADTDUQSVZHEZ-GDBMZVCRSA-N 2 1 336.432 1.096 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000275543905 268358037 /nfs/dbraw/zinc/35/80/37/268358037.db2.gz SWADTDUQSVZHEZ-GDBMZVCRSA-N 2 1 336.432 1.096 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000275543905 268358038 /nfs/dbraw/zinc/35/80/38/268358038.db2.gz SWADTDUQSVZHEZ-GDBMZVCRSA-N 2 1 336.432 1.096 20 0 EDADMP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351849 274193235 /nfs/dbraw/zinc/19/32/35/274193235.db2.gz XVPZFCJYPPWOTM-FUHWJXTLSA-N 2 1 342.487 1.334 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000284667525 274286205 /nfs/dbraw/zinc/28/62/05/274286205.db2.gz XBOWBUVOEWWUGF-NXHRZFHOSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)N(C)Cc1ccccc1 ZINC000284667525 274286206 /nfs/dbraw/zinc/28/62/06/274286206.db2.gz XBOWBUVOEWWUGF-NXHRZFHOSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@@H]1C[N@H+]([C@@H]2Cc3ccccc3[C@@H]2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371472955 274358951 /nfs/dbraw/zinc/35/89/51/274358951.db2.gz JGKRWKWFRBDADJ-NMLACTOBSA-N 2 1 329.488 1.603 20 0 EDADMP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000365088794 276095946 /nfs/dbraw/zinc/09/59/46/276095946.db2.gz OHQREXSVOQXFOB-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000118097611 276171358 /nfs/dbraw/zinc/17/13/58/276171358.db2.gz VEZXSTXBUFMINY-MRXNPFEDSA-N 2 1 330.432 1.171 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000118097611 276171361 /nfs/dbraw/zinc/17/13/61/276171361.db2.gz VEZXSTXBUFMINY-MRXNPFEDSA-N 2 1 330.432 1.171 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000118097611 276171363 /nfs/dbraw/zinc/17/13/63/276171363.db2.gz VEZXSTXBUFMINY-MRXNPFEDSA-N 2 1 330.432 1.171 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000118097611 276171365 /nfs/dbraw/zinc/17/13/65/276171365.db2.gz VEZXSTXBUFMINY-MRXNPFEDSA-N 2 1 330.432 1.171 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370609163 276325292 /nfs/dbraw/zinc/32/52/92/276325292.db2.gz VPTYQKNGMFSDLG-IRXDYDNUSA-N 2 1 340.512 1.661 20 0 EDADMP CCO[C@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C12CCCCC2 ZINC000181687397 276362410 /nfs/dbraw/zinc/36/24/10/276362410.db2.gz FARAVITZFZFOTE-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377637686 276364367 /nfs/dbraw/zinc/36/43/67/276364367.db2.gz UOOYDPUVZWKGNQ-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000377637686 276364368 /nfs/dbraw/zinc/36/43/68/276364368.db2.gz UOOYDPUVZWKGNQ-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000377637686 276364370 /nfs/dbraw/zinc/36/43/70/276364370.db2.gz UOOYDPUVZWKGNQ-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377637686 276364372 /nfs/dbraw/zinc/36/43/72/276364372.db2.gz UOOYDPUVZWKGNQ-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377637686 276364373 /nfs/dbraw/zinc/36/43/73/276364373.db2.gz UOOYDPUVZWKGNQ-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CC[NH2+]C[C@](C)(F)C1)Cc1ccccc1 ZINC000416829709 276855130 /nfs/dbraw/zinc/85/51/30/276855130.db2.gz FYRAFVNUSYNQCI-WMZOPIPTSA-N 2 1 336.455 1.502 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C)CC2)[C@H]1c1ccc(F)cc1 ZINC000371107512 277136244 /nfs/dbraw/zinc/13/62/44/277136244.db2.gz FOYGYBLVPYHFLQ-IAGOWNOFSA-N 2 1 334.439 1.964 20 0 EDADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)C[C@@H]21 ZINC000362281907 277143187 /nfs/dbraw/zinc/14/31/87/277143187.db2.gz LGLLMEUXORJYQT-CEXWTWQISA-N 2 1 343.471 1.440 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)C[C@@H]21 ZINC000362281907 277143189 /nfs/dbraw/zinc/14/31/89/277143189.db2.gz LGLLMEUXORJYQT-CEXWTWQISA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@@H]21 ZINC000362281907 277143190 /nfs/dbraw/zinc/14/31/90/277143190.db2.gz LGLLMEUXORJYQT-CEXWTWQISA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@@H]21 ZINC000362281907 277143191 /nfs/dbraw/zinc/14/31/91/277143191.db2.gz LGLLMEUXORJYQT-CEXWTWQISA-N 2 1 343.471 1.440 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)[C@@H]1c1ccccc1 ZINC000333781407 277165557 /nfs/dbraw/zinc/16/55/57/277165557.db2.gz KWPCYUXHRKBDSH-IKGGRYGDSA-N 2 1 332.448 1.191 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000374349018 277211937 /nfs/dbraw/zinc/21/19/37/277211937.db2.gz ABEIEOQGHZAQDI-SJLPKXTDSA-N 2 1 326.444 1.829 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000374349018 277211938 /nfs/dbraw/zinc/21/19/38/277211938.db2.gz ABEIEOQGHZAQDI-SJLPKXTDSA-N 2 1 326.444 1.829 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000119591691 277393735 /nfs/dbraw/zinc/39/37/35/277393735.db2.gz IQUNXFPYMCBQAU-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000119591691 277393737 /nfs/dbraw/zinc/39/37/37/277393737.db2.gz IQUNXFPYMCBQAU-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000119591691 277393738 /nfs/dbraw/zinc/39/37/38/277393738.db2.gz IQUNXFPYMCBQAU-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249347187 278299571 /nfs/dbraw/zinc/29/95/71/278299571.db2.gz OSLWDLRXZZOHPR-RYQLBKOJSA-N 2 1 333.476 1.641 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000659927811 452820739 /nfs/dbraw/zinc/82/07/39/452820739.db2.gz SYRHBGVLKFDURK-CVEARBPZSA-N 2 1 327.513 1.562 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000659927811 452820754 /nfs/dbraw/zinc/82/07/54/452820754.db2.gz SYRHBGVLKFDURK-CVEARBPZSA-N 2 1 327.513 1.562 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000659927811 452820763 /nfs/dbraw/zinc/82/07/63/452820763.db2.gz SYRHBGVLKFDURK-CVEARBPZSA-N 2 1 327.513 1.562 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000659927811 452820773 /nfs/dbraw/zinc/82/07/73/452820773.db2.gz SYRHBGVLKFDURK-CVEARBPZSA-N 2 1 327.513 1.562 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H](C)O1 ZINC000237494056 288067322 /nfs/dbraw/zinc/06/73/22/288067322.db2.gz ZCTPHGHCDXVCFY-INMHGKMJSA-N 2 1 333.476 1.560 20 0 EDADMP CC[N@H+](C)CCNC(=O)NC[C@H]1OCC[NH+](CC)[C@@H]1c1ccccc1 ZINC000346854065 279030478 /nfs/dbraw/zinc/03/04/78/279030478.db2.gz JFWUZCXWBAFAPS-QZTJIDSGSA-N 2 1 348.491 1.699 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NC[C@H]1OCC[NH+](CC)[C@@H]1c1ccccc1 ZINC000346854065 279030480 /nfs/dbraw/zinc/03/04/80/279030480.db2.gz JFWUZCXWBAFAPS-QZTJIDSGSA-N 2 1 348.491 1.699 20 0 EDADMP CC[NH+](C)CCNC(=O)NC[C@H]1OCC[N@H+](CC)[C@@H]1c1ccccc1 ZINC000346854065 279030481 /nfs/dbraw/zinc/03/04/81/279030481.db2.gz JFWUZCXWBAFAPS-QZTJIDSGSA-N 2 1 348.491 1.699 20 0 EDADMP CC[NH+](C)CCNC(=O)NC[C@H]1OCC[N@@H+](CC)[C@@H]1c1ccccc1 ZINC000346854065 279030483 /nfs/dbraw/zinc/03/04/83/279030483.db2.gz JFWUZCXWBAFAPS-QZTJIDSGSA-N 2 1 348.491 1.699 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000496173662 279038007 /nfs/dbraw/zinc/03/80/07/279038007.db2.gz UWDHXSKVZGKZTP-ZNMIVQPWSA-N 2 1 329.485 1.534 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000496920230 279038086 /nfs/dbraw/zinc/03/80/86/279038086.db2.gz BMURTXDMDUICNK-KGLIPLIRSA-N 2 1 329.485 1.677 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)c1ccccc1 ZINC000363475443 279045582 /nfs/dbraw/zinc/04/55/82/279045582.db2.gz WRGBJOFNUSCKMF-BZSNNMDCSA-N 2 1 331.460 1.659 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000363475443 279045583 /nfs/dbraw/zinc/04/55/83/279045583.db2.gz WRGBJOFNUSCKMF-BZSNNMDCSA-N 2 1 331.460 1.659 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000363475443 279045584 /nfs/dbraw/zinc/04/55/84/279045584.db2.gz WRGBJOFNUSCKMF-BZSNNMDCSA-N 2 1 331.460 1.659 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000364989028 279178052 /nfs/dbraw/zinc/17/80/52/279178052.db2.gz YZCBOSNTBPPKHZ-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@@H+](CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C1CC1 ZINC000342346791 279192156 /nfs/dbraw/zinc/19/21/56/279192156.db2.gz IVHLSQYNQACGRN-INIZCTEOSA-N 2 1 325.522 1.804 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)NCCC[NH2+]C)CC1 ZINC000417000765 279363500 /nfs/dbraw/zinc/36/35/00/279363500.db2.gz ZHZLYIAZXGFEOE-UHFFFAOYSA-N 2 1 347.507 1.233 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)C[C@H](C)O1 ZINC000342721678 288152212 /nfs/dbraw/zinc/15/22/12/288152212.db2.gz AHUQJMZWEKUYBH-KYHPRHEASA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)C[C@H](C)O1 ZINC000422913361 288161353 /nfs/dbraw/zinc/16/13/53/288161353.db2.gz PUKCLVDUFFBQIS-CYGHRXIMSA-N 2 1 325.497 1.232 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[N@H+](CC)C2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000363755295 281136709 /nfs/dbraw/zinc/13/67/09/281136709.db2.gz FTNMZVKREFJNRA-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[N@@H+](CC)C2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000363755295 281136710 /nfs/dbraw/zinc/13/67/10/281136710.db2.gz FTNMZVKREFJNRA-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000290077467 288834794 /nfs/dbraw/zinc/83/47/94/288834794.db2.gz IQFAZWUPEUGRPO-MOPGFXCFSA-N 2 1 344.503 1.655 20 0 EDADMP COc1ccccc1N1CC[C@@H](N2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000292175482 289281790 /nfs/dbraw/zinc/28/17/90/289281790.db2.gz PYYRTBKWURQDNC-APWZRJJASA-N 2 1 329.444 1.828 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292185602 289283268 /nfs/dbraw/zinc/28/32/68/289283268.db2.gz QXFCDRQQPKBJFN-MJGOQNOKSA-N 2 1 334.460 1.600 20 0 EDADMP Cn1nccc1[C@@H]1OCC[C@@H]1C[N@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000343533614 289323752 /nfs/dbraw/zinc/32/37/52/289323752.db2.gz CRMYYPSQTDDMOT-LLLOQXOTSA-N 2 1 348.491 1.681 20 0 EDADMP CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000360748588 289341481 /nfs/dbraw/zinc/34/14/81/289341481.db2.gz XBJQJAFMEFPMBA-GOEBONIOSA-N 2 1 326.510 1.302 20 0 EDADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422831749 289795001 /nfs/dbraw/zinc/79/50/01/289795001.db2.gz UDCQKMQWCJPMSC-UHTWSYAYSA-N 2 1 333.354 1.865 20 0 EDADMP Cn1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000423352274 294211860 /nfs/dbraw/zinc/21/18/60/294211860.db2.gz AFFQJVGDRNVJBB-HUUCEWRRSA-N 2 1 331.464 1.197 20 0 EDADMP Cn1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000423352274 294211862 /nfs/dbraw/zinc/21/18/62/294211862.db2.gz AFFQJVGDRNVJBB-HUUCEWRRSA-N 2 1 331.464 1.197 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000359370812 295383793 /nfs/dbraw/zinc/38/37/93/295383793.db2.gz BHLBYQCYFNACDR-WMLDXEAASA-N 2 1 346.475 1.834 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000359370812 295383796 /nfs/dbraw/zinc/38/37/96/295383796.db2.gz BHLBYQCYFNACDR-WMLDXEAASA-N 2 1 346.475 1.834 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360749447 297090819 /nfs/dbraw/zinc/09/08/19/297090819.db2.gz ZIIXMIZFJIHDOQ-VYDXJSESSA-N 2 1 340.537 1.692 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000662407898 453118082 /nfs/dbraw/zinc/11/80/82/453118082.db2.gz MAJKYODODRCZJR-GFCCVEGCSA-N 2 1 325.375 1.098 20 0 EDADMP C[C@H]1CN(C(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000188545529 300143880 /nfs/dbraw/zinc/14/38/80/300143880.db2.gz JMGPNADEVSCOLU-HNNXBMFYSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H]1CN(C(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000188545529 300143882 /nfs/dbraw/zinc/14/38/82/300143882.db2.gz JMGPNADEVSCOLU-HNNXBMFYSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H]1CN(C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000188545529 300143885 /nfs/dbraw/zinc/14/38/85/300143885.db2.gz JMGPNADEVSCOLU-HNNXBMFYSA-N 2 1 340.512 1.347 20 0 EDADMP COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420319857 304751232 /nfs/dbraw/zinc/75/12/32/304751232.db2.gz AQUNUTYHNAEZAU-JOQOYGCGSA-N 2 1 347.459 1.850 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3C[C@H](C)[NH2+]C[C@@H]3C)CC2)c1 ZINC000420399327 304755508 /nfs/dbraw/zinc/75/55/08/304755508.db2.gz NWJIBGZZSGEAOL-ROUUACIJSA-N 2 1 344.503 1.321 20 0 EDADMP CCS(=O)(=O)CCCCC[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660481067 453336946 /nfs/dbraw/zinc/33/69/46/453336946.db2.gz YHPNQCYEHJJQJA-KRWDZBQOSA-N 2 1 346.537 1.778 20 0 EDADMP CCS(=O)(=O)CCCCCN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660481067 453336951 /nfs/dbraw/zinc/33/69/51/453336951.db2.gz YHPNQCYEHJJQJA-KRWDZBQOSA-N 2 1 346.537 1.778 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cn2cc[nH+]c12 ZINC000294037001 303054305 /nfs/dbraw/zinc/05/43/05/303054305.db2.gz FWTLXLPOWAYABE-ZDUSSCGKSA-N 2 1 341.415 1.348 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cn2cc[nH+]c12 ZINC000294037001 303054306 /nfs/dbraw/zinc/05/43/06/303054306.db2.gz FWTLXLPOWAYABE-ZDUSSCGKSA-N 2 1 341.415 1.348 20 0 EDADMP Cn1nccc1[C@@H]1[C@@H]([NH2+]C2CC[NH+](C)CC2)CCC(=O)N1C1CC1 ZINC000344994503 303083982 /nfs/dbraw/zinc/08/39/82/303083982.db2.gz BSAMCOCIOCTGEA-YJBOKZPZSA-N 2 1 331.464 1.298 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294563404 303124279 /nfs/dbraw/zinc/12/42/79/303124279.db2.gz LDMTWMNIVUXGOX-UHFFFAOYSA-N 2 1 345.447 1.698 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@H+](C)Cc1ccccc1 ZINC000295299583 303201530 /nfs/dbraw/zinc/20/15/30/303201530.db2.gz AYOIRNTZOBHJQY-FUHWJXTLSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@@H+](C)Cc1ccccc1 ZINC000295299583 303201531 /nfs/dbraw/zinc/20/15/31/303201531.db2.gz AYOIRNTZOBHJQY-FUHWJXTLSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+](C)Cc1ccccc1 ZINC000295299583 303201534 /nfs/dbraw/zinc/20/15/34/303201534.db2.gz AYOIRNTZOBHJQY-FUHWJXTLSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+](C)Cc1ccccc1 ZINC000295299583 303201536 /nfs/dbraw/zinc/20/15/36/303201536.db2.gz AYOIRNTZOBHJQY-FUHWJXTLSA-N 2 1 333.476 1.470 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000414890263 447344622 /nfs/dbraw/zinc/34/46/22/447344622.db2.gz ZIVPCMVECCVPFD-UHFFFAOYSA-N 2 1 332.448 1.335 20 0 EDADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422707335 304879012 /nfs/dbraw/zinc/87/90/12/304879012.db2.gz WGZJUNCEWYBKQE-DZKIICNBSA-N 2 1 339.505 1.976 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)[C@H]3CC[NH2+]C3)C2=O)c1 ZINC000422916932 304880241 /nfs/dbraw/zinc/88/02/41/304880241.db2.gz BYIHODFTFISSDL-IGCXYCKISA-N 2 1 333.432 1.397 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000424998818 304944267 /nfs/dbraw/zinc/94/42/67/304944267.db2.gz JQASTGLBDGYXKW-UHFFFAOYSA-N 2 1 333.476 1.931 20 0 EDADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000458403000 447347283 /nfs/dbraw/zinc/34/72/83/447347283.db2.gz BWSILSMQJJPRHK-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000458403000 447347286 /nfs/dbraw/zinc/34/72/86/447347286.db2.gz BWSILSMQJJPRHK-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428699907 305015027 /nfs/dbraw/zinc/01/50/27/305015027.db2.gz JNADCMJHQASGIY-IBGZPJMESA-N 2 1 333.476 1.424 20 0 EDADMP CCC[NH+](C)CC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428699907 305015028 /nfs/dbraw/zinc/01/50/28/305015028.db2.gz JNADCMJHQASGIY-IBGZPJMESA-N 2 1 333.476 1.424 20 0 EDADMP CCC[NH+](C)CC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428699907 305015029 /nfs/dbraw/zinc/01/50/29/305015029.db2.gz JNADCMJHQASGIY-IBGZPJMESA-N 2 1 333.476 1.424 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)cn2)CC1 ZINC000430105314 305045586 /nfs/dbraw/zinc/04/55/86/305045586.db2.gz KRNYXEUYEULNND-ZBFHGGJFSA-N 2 1 337.418 1.706 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)cn2)CC1 ZINC000430105314 305045587 /nfs/dbraw/zinc/04/55/87/305045587.db2.gz KRNYXEUYEULNND-ZBFHGGJFSA-N 2 1 337.418 1.706 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430539000 305055864 /nfs/dbraw/zinc/05/58/64/305055864.db2.gz DAEVZCWUEDCIQP-DLBZAZTESA-N 2 1 345.491 1.180 20 0 EDADMP [NH3+]CCCOC1CC[NH+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000430590197 305057563 /nfs/dbraw/zinc/05/75/63/305057563.db2.gz BRVKAARBZYALAP-UHFFFAOYSA-N 2 1 339.867 1.786 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC(C)(C)C[NH3+] ZINC000430603379 305058250 /nfs/dbraw/zinc/05/82/50/305058250.db2.gz YNNYHRCYFGJFFW-UHFFFAOYSA-N 2 1 340.855 1.684 20 0 EDADMP C[N@@H+](CCCOc1cccc(Cl)c1)CC(=O)N1CC[NH2+]CC1 ZINC000430635198 305060504 /nfs/dbraw/zinc/06/05/04/305060504.db2.gz GBTZTQHTYODZBG-UHFFFAOYSA-N 2 1 325.840 1.473 20 0 EDADMP CCCN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000430950521 305070255 /nfs/dbraw/zinc/07/02/55/305070255.db2.gz ICIMAOSEKDTDHT-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP C[NH2+]C[C@@H]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000430959009 305070814 /nfs/dbraw/zinc/07/08/14/305070814.db2.gz VIUCTDMRJVEVNS-SFHVURJKSA-N 2 1 344.503 1.181 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCCC2)CCCO1 ZINC000431205108 305076580 /nfs/dbraw/zinc/07/65/80/305076580.db2.gz XDIYXWPLCODDQK-INIZCTEOSA-N 2 1 326.485 1.272 20 0 EDADMP COC(=O)[C@@H]1CCC[N@@H+](CC[C@@H](C)[NH+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000431594244 305080309 /nfs/dbraw/zinc/08/03/09/305080309.db2.gz FFCSQWUTOHOBOD-OAGGEKHMSA-N 2 1 340.464 1.535 20 0 EDADMP COC(=O)[C@@H]1CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000431594244 305080310 /nfs/dbraw/zinc/08/03/10/305080310.db2.gz FFCSQWUTOHOBOD-OAGGEKHMSA-N 2 1 340.464 1.535 20 0 EDADMP COC(=O)[C@@H]1CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000431594244 305080311 /nfs/dbraw/zinc/08/03/11/305080311.db2.gz FFCSQWUTOHOBOD-OAGGEKHMSA-N 2 1 340.464 1.535 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000431851509 305083829 /nfs/dbraw/zinc/08/38/29/305083829.db2.gz PHJHSLXZESOTFO-RYRKJORJSA-N 2 1 333.476 1.593 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CCCN1CCC([NH3+])CC1)C1CCCCC1 ZINC000433159510 305102066 /nfs/dbraw/zinc/10/20/66/305102066.db2.gz MEJMRCPIPMUWDY-GOSISDBHSA-N 2 1 338.540 1.816 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433287023 305104946 /nfs/dbraw/zinc/10/49/46/305104946.db2.gz WDFZBKZHYGVQOP-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP C[C@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+](C)C1CC1 ZINC000433327860 305105858 /nfs/dbraw/zinc/10/58/58/305105858.db2.gz BFEDYXRYPKOIES-HUUCEWRRSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[N@H+](C)C1CC1 ZINC000433327860 305105859 /nfs/dbraw/zinc/10/58/59/305105859.db2.gz BFEDYXRYPKOIES-HUUCEWRRSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000433327860 305105860 /nfs/dbraw/zinc/10/58/60/305105860.db2.gz BFEDYXRYPKOIES-HUUCEWRRSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433385578 305107346 /nfs/dbraw/zinc/10/73/46/305107346.db2.gz YSKOEDCZGMVHQR-CABCVRRESA-N 2 1 348.495 1.443 20 0 EDADMP CC(C)[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000433870543 305114287 /nfs/dbraw/zinc/11/42/87/305114287.db2.gz RCEZBTCEOOECQZ-WMLDXEAASA-N 2 1 339.505 1.755 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)[NH+]1CCOCC1 ZINC000435904210 305149075 /nfs/dbraw/zinc/14/90/75/305149075.db2.gz VSPMAODMZLHMFM-ZIFCJYIRSA-N 2 1 337.508 1.629 20 0 EDADMP CC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436058348 305151579 /nfs/dbraw/zinc/15/15/79/305151579.db2.gz KHCQGGMRSWDPMR-INIZCTEOSA-N 2 1 347.459 1.588 20 0 EDADMP CC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436058348 305151580 /nfs/dbraw/zinc/15/15/80/305151580.db2.gz KHCQGGMRSWDPMR-INIZCTEOSA-N 2 1 347.459 1.588 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436236237 305154711 /nfs/dbraw/zinc/15/47/11/305154711.db2.gz FCQCRDXLUAVLBW-ZDUSSCGKSA-N 2 1 347.488 1.815 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000436481908 305158554 /nfs/dbraw/zinc/15/85/54/305158554.db2.gz FSGYVYYYLUCHRA-RBUKOAKNSA-N 2 1 346.519 1.678 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)c1C ZINC000437766344 305179302 /nfs/dbraw/zinc/17/93/02/305179302.db2.gz VMNVTDSWYYTRFE-MRXNPFEDSA-N 2 1 336.480 1.885 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)c1C ZINC000437766344 305179303 /nfs/dbraw/zinc/17/93/03/305179303.db2.gz VMNVTDSWYYTRFE-MRXNPFEDSA-N 2 1 336.480 1.885 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CC[C@@H]3CCOC3)c2)C1 ZINC000438193816 305182816 /nfs/dbraw/zinc/18/28/16/305182816.db2.gz XPEGJAVCXDFFEY-APWZRJJASA-N 2 1 345.487 1.900 20 0 EDADMP CC[N@@H+](CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1)C(C)C ZINC000441014289 305216612 /nfs/dbraw/zinc/21/66/12/305216612.db2.gz IYLRTXGNHLLPGU-UHFFFAOYSA-N 2 1 327.517 1.042 20 0 EDADMP CC[NH+](CCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000441014289 305216613 /nfs/dbraw/zinc/21/66/13/305216613.db2.gz IYLRTXGNHLLPGU-UHFFFAOYSA-N 2 1 327.517 1.042 20 0 EDADMP CC[NH+](CCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000441014289 305216614 /nfs/dbraw/zinc/21/66/14/305216614.db2.gz IYLRTXGNHLLPGU-UHFFFAOYSA-N 2 1 327.517 1.042 20 0 EDADMP CNC(=O)c1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000441188912 305218547 /nfs/dbraw/zinc/21/85/47/305218547.db2.gz MPDLEQDUYFMBJQ-KZNAEPCWSA-N 2 1 331.460 1.730 20 0 EDADMP CNC(=O)c1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000441188912 305218548 /nfs/dbraw/zinc/21/85/48/305218548.db2.gz MPDLEQDUYFMBJQ-KZNAEPCWSA-N 2 1 331.460 1.730 20 0 EDADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443067444 305234372 /nfs/dbraw/zinc/23/43/72/305234372.db2.gz GQRQCBYRZOSFSW-QWHCGFSZSA-N 2 1 336.411 1.923 20 0 EDADMP C[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)[N@H+]1CCCC[C@H]1C ZINC000446273757 305262287 /nfs/dbraw/zinc/26/22/87/305262287.db2.gz CKVCVCNDJWXGQG-DINLJIAVSA-N 2 1 337.508 1.898 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000449087502 305306196 /nfs/dbraw/zinc/30/61/96/305306196.db2.gz WBACBAYCCVWZMZ-GTPINHCMSA-N 2 1 325.497 1.901 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000449711722 305317782 /nfs/dbraw/zinc/31/77/82/305317782.db2.gz PBDLZDAONDULFI-ZWKOTPCHSA-N 2 1 331.460 1.393 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CC1 ZINC000451620349 305356716 /nfs/dbraw/zinc/35/67/16/305356716.db2.gz NTACFMNDYVGMPM-MSOLQXFVSA-N 2 1 349.519 1.868 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000452361298 305392618 /nfs/dbraw/zinc/39/26/18/305392618.db2.gz JWZLIRXUOJEQKX-QZTJIDSGSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000452361298 305392619 /nfs/dbraw/zinc/39/26/19/305392619.db2.gz JWZLIRXUOJEQKX-QZTJIDSGSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000452361298 305392620 /nfs/dbraw/zinc/39/26/20/305392620.db2.gz JWZLIRXUOJEQKX-QZTJIDSGSA-N 2 1 337.508 1.747 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2C(=O)N[C@@H](C)C2=O)cc1 ZINC000459391617 305519975 /nfs/dbraw/zinc/51/99/75/305519975.db2.gz VFBZMYUCUCBBCB-OLZOCXBDSA-N 2 1 341.415 1.772 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000458409112 447351164 /nfs/dbraw/zinc/35/11/64/447351164.db2.gz LVLLUQCBIYOABV-HUUCEWRRSA-N 2 1 328.501 1.061 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000458409112 447351168 /nfs/dbraw/zinc/35/11/68/447351168.db2.gz LVLLUQCBIYOABV-HUUCEWRRSA-N 2 1 328.501 1.061 20 0 EDADMP COc1ccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)cc1 ZINC000517123170 305747908 /nfs/dbraw/zinc/74/79/08/305747908.db2.gz YDFVVXUVNBEZHV-ONYGOOLBSA-N 2 1 329.444 1.669 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000535013494 306010566 /nfs/dbraw/zinc/01/05/66/306010566.db2.gz WXVXURWHYQLLFH-KURKYZTESA-N 2 1 325.497 1.140 20 0 EDADMP CC(C)Cn1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1 ZINC000543771217 306069987 /nfs/dbraw/zinc/06/99/87/306069987.db2.gz XIEDJIIXXMPXRZ-UHFFFAOYSA-N 2 1 342.447 1.938 20 0 EDADMP C[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)CN1CC[NH+](C)CC1 ZINC000553157948 306183222 /nfs/dbraw/zinc/18/32/22/306183222.db2.gz GENUNDUHLMESOT-KRWDZBQOSA-N 2 1 346.519 1.404 20 0 EDADMP CC(C)(C)[N@@H+]1CCCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000554446004 306191543 /nfs/dbraw/zinc/19/15/43/306191543.db2.gz WKLOGDKKIWKKSI-UHFFFAOYSA-N 2 1 328.526 1.551 20 0 EDADMP CC(C)(C)[N@H+]1CCCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000554446004 306191544 /nfs/dbraw/zinc/19/15/44/306191544.db2.gz WKLOGDKKIWKKSI-UHFFFAOYSA-N 2 1 328.526 1.551 20 0 EDADMP O=C([C@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1)N1CCOCC1 ZINC000556952044 306221857 /nfs/dbraw/zinc/22/18/57/306221857.db2.gz RGMOZEHQGCTRGB-ROUUACIJSA-N 2 1 331.460 1.188 20 0 EDADMP CN(C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000414962663 447375151 /nfs/dbraw/zinc/37/51/51/447375151.db2.gz JZAWKZVJOCEOGM-SFHVURJKSA-N 2 1 346.475 1.762 20 0 EDADMP CC[NH+](CCNC(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)CCC(F)(F)F ZINC000426009839 447378653 /nfs/dbraw/zinc/37/86/53/447378653.db2.gz HVSYKOHPQFXSFI-CYBMUJFWSA-N 2 1 338.418 1.854 20 0 EDADMP Cc1[nH+]ccn1CCN1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000661188303 453751544 /nfs/dbraw/zinc/75/15/44/453751544.db2.gz YRJDWLPLUIYRGN-QWRGUYRKSA-N 2 1 325.356 1.099 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]2[NH3+])[C@H](c2ccccc2)C1 ZINC000378207483 447407383 /nfs/dbraw/zinc/40/73/83/447407383.db2.gz RURUNPBKTKYUNW-KURKYZTESA-N 2 1 330.476 1.219 20 0 EDADMP CC[C@H](C(=O)NCC[NH+]1CCC(O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000456580553 447416397 /nfs/dbraw/zinc/41/63/97/447416397.db2.gz IWKGGZCGTXRUNY-GOSISDBHSA-N 2 1 333.476 1.470 20 0 EDADMP O=C(NCCC[NH+]1CCCC1)NCC[N@H+]1CCc2ccccc2C1 ZINC000045121644 440952721 /nfs/dbraw/zinc/95/27/21/440952721.db2.gz XAYMRUQMXNFPCG-UHFFFAOYSA-N 2 1 330.476 1.830 20 0 EDADMP CC(C)[NH+](CCNC(=O)NCCCCN1CC[NH+](C)CC1)C(C)C ZINC000103854396 441186371 /nfs/dbraw/zinc/18/63/71/441186371.db2.gz FKACZRZVWUCUQM-UHFFFAOYSA-N 2 1 341.544 1.432 20 0 EDADMP CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000104834118 441214275 /nfs/dbraw/zinc/21/42/75/441214275.db2.gz ZSWPOVQALPHGFZ-LJQANCHMSA-N 2 1 345.487 1.785 20 0 EDADMP CC[N@@H+](CCNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1)C(C)C ZINC000105226927 441244213 /nfs/dbraw/zinc/24/42/13/441244213.db2.gz FIULFPJBKJBKME-UHFFFAOYSA-N 2 1 341.544 1.384 20 0 EDADMP CC[NH+](CCNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C(C)C ZINC000105226927 441244219 /nfs/dbraw/zinc/24/42/19/441244219.db2.gz FIULFPJBKJBKME-UHFFFAOYSA-N 2 1 341.544 1.384 20 0 EDADMP CC[NH+](CCNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C(C)C ZINC000105226927 441244224 /nfs/dbraw/zinc/24/42/24/441244224.db2.gz FIULFPJBKJBKME-UHFFFAOYSA-N 2 1 341.544 1.384 20 0 EDADMP CC[N@H+](CCNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C(C)C ZINC000105226927 441244227 /nfs/dbraw/zinc/24/42/27/441244227.db2.gz FIULFPJBKJBKME-UHFFFAOYSA-N 2 1 341.544 1.384 20 0 EDADMP CC[N@@H+](CCNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C(C)C ZINC000105226927 441244232 /nfs/dbraw/zinc/24/42/32/441244232.db2.gz FIULFPJBKJBKME-UHFFFAOYSA-N 2 1 341.544 1.384 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000073728516 441347217 /nfs/dbraw/zinc/34/72/17/441347217.db2.gz LJHFDJDSJMLDHL-KRWDZBQOSA-N 2 1 337.508 1.822 20 0 EDADMP CN(C(=O)C1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000073988152 441377759 /nfs/dbraw/zinc/37/77/59/441377759.db2.gz DDNMPZNXLQGKQB-SFHVURJKSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@@H](CCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+]1CCCCC1 ZINC000458655486 447440134 /nfs/dbraw/zinc/44/01/34/447440134.db2.gz PFOMEUVQIWOXPO-IRXDYDNUSA-N 2 1 340.512 1.397 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000074256796 441413690 /nfs/dbraw/zinc/41/36/90/441413690.db2.gz DIINFKIGFRMUSO-UHFFFAOYSA-N 2 1 344.463 1.694 20 0 EDADMP C[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000111631077 441538370 /nfs/dbraw/zinc/53/83/70/441538370.db2.gz HSWAAWSCBUDDMX-IAGOWNOFSA-N 2 1 332.492 1.259 20 0 EDADMP C[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000111631077 441538375 /nfs/dbraw/zinc/53/83/75/441538375.db2.gz HSWAAWSCBUDDMX-IAGOWNOFSA-N 2 1 332.492 1.259 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000090914263 441645400 /nfs/dbraw/zinc/64/54/00/441645400.db2.gz XWKXQSXEIBCOOO-JVJLKXRTSA-N 2 1 331.504 1.940 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000090914263 441645402 /nfs/dbraw/zinc/64/54/02/441645402.db2.gz XWKXQSXEIBCOOO-JVJLKXRTSA-N 2 1 331.504 1.940 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000090914263 441645405 /nfs/dbraw/zinc/64/54/05/441645405.db2.gz XWKXQSXEIBCOOO-JVJLKXRTSA-N 2 1 331.504 1.940 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000090914263 441645409 /nfs/dbraw/zinc/64/54/09/441645409.db2.gz XWKXQSXEIBCOOO-JVJLKXRTSA-N 2 1 331.504 1.940 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000090914263 441645410 /nfs/dbraw/zinc/64/54/10/441645410.db2.gz XWKXQSXEIBCOOO-JVJLKXRTSA-N 2 1 331.504 1.940 20 0 EDADMP CC[NH+](CC)CCNC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000091842960 441746873 /nfs/dbraw/zinc/74/68/73/441746873.db2.gz BZQGLWLIDRKYIH-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000458658936 447442003 /nfs/dbraw/zinc/44/20/03/447442003.db2.gz ONGVXVILRXWGAY-DLBZAZTESA-N 2 1 340.512 1.397 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000115810216 441780319 /nfs/dbraw/zinc/78/03/19/441780319.db2.gz UGSRCLUPHMNLCF-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000115810216 441780325 /nfs/dbraw/zinc/78/03/25/441780325.db2.gz UGSRCLUPHMNLCF-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000115810216 441780331 /nfs/dbraw/zinc/78/03/31/441780331.db2.gz UGSRCLUPHMNLCF-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP C[NH+](C)CCCNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000042923358 441798752 /nfs/dbraw/zinc/79/87/52/441798752.db2.gz DWPSSXSKKCVDNY-UHFFFAOYSA-N 2 1 334.464 1.270 20 0 EDADMP COCC[NH+]1CCC(N[C@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000173645093 441812734 /nfs/dbraw/zinc/81/27/34/441812734.db2.gz QMVBQDBNFNLZKK-CQSZACIVSA-N 2 1 337.439 1.531 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077662710 441824944 /nfs/dbraw/zinc/82/49/44/441824944.db2.gz YLMLNMAKACPASO-OAHLLOKOSA-N 2 1 326.485 1.127 20 0 EDADMP CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)CCCn2ccnc2)cc1 ZINC000124354595 441920068 /nfs/dbraw/zinc/92/00/68/441920068.db2.gz IATNYJPBQYMNAE-UHFFFAOYSA-N 2 1 329.404 1.802 20 0 EDADMP CC(=O)Nc1ccc(NC(=O)CN(C)CCCn2ccnc2)cc1 ZINC000124354595 441920075 /nfs/dbraw/zinc/92/00/75/441920075.db2.gz IATNYJPBQYMNAE-UHFFFAOYSA-N 2 1 329.404 1.802 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000151108879 442007957 /nfs/dbraw/zinc/00/79/57/442007957.db2.gz AYJWJHJVHMJZKH-OAHLLOKOSA-N 2 1 336.480 1.515 20 0 EDADMP CN(C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH2+]CC1 ZINC000125367512 442015542 /nfs/dbraw/zinc/01/55/42/442015542.db2.gz CLVFWYJTXHORNU-SFHVURJKSA-N 2 1 331.460 1.488 20 0 EDADMP CN(C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH2+]CC1 ZINC000125367512 442015549 /nfs/dbraw/zinc/01/55/49/442015549.db2.gz CLVFWYJTXHORNU-SFHVURJKSA-N 2 1 331.460 1.488 20 0 EDADMP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000125818121 442051850 /nfs/dbraw/zinc/05/18/50/442051850.db2.gz WKGOAIRWNIXVBT-SFHVURJKSA-N 2 1 330.476 1.063 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)CC[N@H+]1C ZINC000126134773 442082616 /nfs/dbraw/zinc/08/26/16/442082616.db2.gz HIHZBTSMIPZOTH-MAUKXSAKSA-N 2 1 345.487 1.959 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NC3CC[NH+](C)CC3)CC2)nc(C)[nH+]1 ZINC000175556929 442085378 /nfs/dbraw/zinc/08/53/78/442085378.db2.gz OVMQOOJUYQXGCA-UHFFFAOYSA-N 2 1 346.479 1.456 20 0 EDADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426446502 447446208 /nfs/dbraw/zinc/44/62/08/447446208.db2.gz YMSLVMRVQJBDMQ-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000097175775 442179028 /nfs/dbraw/zinc/17/90/28/442179028.db2.gz LVACCOAOEAWZJA-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000097175775 442179031 /nfs/dbraw/zinc/17/90/31/442179031.db2.gz LVACCOAOEAWZJA-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000097175775 442179032 /nfs/dbraw/zinc/17/90/32/442179032.db2.gz LVACCOAOEAWZJA-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000097175775 442179035 /nfs/dbraw/zinc/17/90/35/442179035.db2.gz LVACCOAOEAWZJA-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176191541 442187882 /nfs/dbraw/zinc/18/78/82/442187882.db2.gz PUDODBGPVLEPQC-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP CN(CC[NH+](C)C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000176243357 442198771 /nfs/dbraw/zinc/19/87/71/442198771.db2.gz SUYKEWJFPGHHQC-UHFFFAOYSA-N 2 1 334.464 1.222 20 0 EDADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000170698888 442250359 /nfs/dbraw/zinc/25/03/59/442250359.db2.gz YYRMGNGTZQTFCP-UHFFFAOYSA-N 2 1 345.491 1.916 20 0 EDADMP COc1ccc([C@H](C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(OC)c1 ZINC000128155101 442248921 /nfs/dbraw/zinc/24/89/21/442248921.db2.gz RNFPJXOOVRIJRO-GJZGRUSLSA-N 2 1 349.475 1.942 20 0 EDADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(OC)c1 ZINC000128155101 442248922 /nfs/dbraw/zinc/24/89/22/442248922.db2.gz RNFPJXOOVRIJRO-GJZGRUSLSA-N 2 1 349.475 1.942 20 0 EDADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(OC)c1 ZINC000128155101 442248923 /nfs/dbraw/zinc/24/89/23/442248923.db2.gz RNFPJXOOVRIJRO-GJZGRUSLSA-N 2 1 349.475 1.942 20 0 EDADMP C[C@@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000129623614 442325666 /nfs/dbraw/zinc/32/56/66/442325666.db2.gz TYFJHYTWDGAMHH-ULQDDVLXSA-N 2 1 338.540 1.638 20 0 EDADMP CN1CCN(c2ncc(C[N@@H+](C[C@@H]3CCOC3)C3CC3)cn2)CC1 ZINC000130000839 442337382 /nfs/dbraw/zinc/33/73/82/442337382.db2.gz QZWCEJDXIXIDJA-HNNXBMFYSA-N 2 1 331.464 1.229 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+](C[C@@H]3CCOC3)C3CC3)cn2)CC1 ZINC000130000839 442337384 /nfs/dbraw/zinc/33/73/84/442337384.db2.gz QZWCEJDXIXIDJA-HNNXBMFYSA-N 2 1 331.464 1.229 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)Nc3ccc(C[NH3+])cc3)ccn2)CC1 ZINC000131166644 442366092 /nfs/dbraw/zinc/36/60/92/442366092.db2.gz PQJNAZBQBSKVDM-UHFFFAOYSA-N 2 1 325.416 1.544 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000155016128 442371239 /nfs/dbraw/zinc/37/12/39/442371239.db2.gz HMALNZFTQXDEMM-SJLPKXTDSA-N 2 1 337.508 1.866 20 0 EDADMP CC[C@@H](C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000155143962 442378080 /nfs/dbraw/zinc/37/80/80/442378080.db2.gz KOUYKSHCURCZEW-SFHVURJKSA-N 2 1 332.492 1.607 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000177842110 442390131 /nfs/dbraw/zinc/39/01/31/442390131.db2.gz RUXQOBWXLGDLJX-OAHLLOKOSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000177847644 442390734 /nfs/dbraw/zinc/39/07/34/442390734.db2.gz KYAVHVMQGIZLOJ-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000177847644 442390736 /nfs/dbraw/zinc/39/07/36/442390736.db2.gz KYAVHVMQGIZLOJ-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000177847644 442390738 /nfs/dbraw/zinc/39/07/38/442390738.db2.gz KYAVHVMQGIZLOJ-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000177870209 442392407 /nfs/dbraw/zinc/39/24/07/442392407.db2.gz QZGMHSYULGZYRS-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP C[NH+](C)CCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000133488410 442420664 /nfs/dbraw/zinc/42/06/64/442420664.db2.gz HPFMYQIECFISCG-UHFFFAOYSA-N 2 1 340.418 1.790 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NCCCCN2CC[NH+](C)CC2)c1 ZINC000155753478 442424878 /nfs/dbraw/zinc/42/48/78/442424878.db2.gz HOGPBPKJKZWOLW-UHFFFAOYSA-N 2 1 332.492 1.506 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000155779876 442426700 /nfs/dbraw/zinc/42/67/00/442426700.db2.gz IBDOIEUNCSHJSA-JZXOWHBKSA-N 2 1 332.492 1.687 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178667488 442454373 /nfs/dbraw/zinc/45/43/73/442454373.db2.gz RTWXIZGLSHKNRX-MJGOQNOKSA-N 2 1 349.519 1.964 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178667488 442454376 /nfs/dbraw/zinc/45/43/76/442454376.db2.gz RTWXIZGLSHKNRX-MJGOQNOKSA-N 2 1 349.519 1.964 20 0 EDADMP CCC[C@H]([NH3+])C(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000178869465 442508829 /nfs/dbraw/zinc/50/88/29/442508829.db2.gz AWXZORYGYPEZKV-BZSNNMDCSA-N 2 1 333.476 1.910 20 0 EDADMP CCC[C@H]([NH3+])C(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000178869465 442508832 /nfs/dbraw/zinc/50/88/32/442508832.db2.gz AWXZORYGYPEZKV-BZSNNMDCSA-N 2 1 333.476 1.910 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C[C@H]1CC ZINC000178777222 442481743 /nfs/dbraw/zinc/48/17/43/442481743.db2.gz MIZLBHPXMPISIA-MSOLQXFVSA-N 2 1 333.476 1.688 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]C2CCC(C(=O)OC)CC2)CC1 ZINC000192439161 442646463 /nfs/dbraw/zinc/64/64/63/442646463.db2.gz LNGMJMBDBUVVSE-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000187139717 442655330 /nfs/dbraw/zinc/65/53/30/442655330.db2.gz RGALCOJMPAIHOF-HNNXBMFYSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000180751832 442655969 /nfs/dbraw/zinc/65/59/69/442655969.db2.gz DESKYHLOAHLRDT-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP CC(C)(C)[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccs2)CC1 ZINC000181532777 442702408 /nfs/dbraw/zinc/70/24/08/442702408.db2.gz QJXSAAALQDXRAE-UHFFFAOYSA-N 2 1 345.534 1.879 20 0 EDADMP O=C(NCCCCC[NH+]1CCCCC1)NCC[N@H+]1CCCOCC1 ZINC000187196445 442659672 /nfs/dbraw/zinc/65/96/72/442659672.db2.gz GKLISMFMEIWFAK-UHFFFAOYSA-N 2 1 340.512 1.664 20 0 EDADMP CC(C)NC(=O)CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188323057 442738921 /nfs/dbraw/zinc/73/89/21/442738921.db2.gz BMEQJZXHXZBPMW-LJQANCHMSA-N 2 1 333.476 1.470 20 0 EDADMP CC(C)NC(=O)CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188323057 442738924 /nfs/dbraw/zinc/73/89/24/442738924.db2.gz BMEQJZXHXZBPMW-LJQANCHMSA-N 2 1 333.476 1.470 20 0 EDADMP CC(C)NC(=O)CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188323057 442738927 /nfs/dbraw/zinc/73/89/27/442738927.db2.gz BMEQJZXHXZBPMW-LJQANCHMSA-N 2 1 333.476 1.470 20 0 EDADMP CC(C)NC(=O)CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188323057 442738930 /nfs/dbraw/zinc/73/89/30/442738930.db2.gz BMEQJZXHXZBPMW-LJQANCHMSA-N 2 1 333.476 1.470 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182327673 442757652 /nfs/dbraw/zinc/75/76/52/442757652.db2.gz PYKXGBUDSJXVIO-LJQANCHMSA-N 2 1 345.487 1.220 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000246278037 442768831 /nfs/dbraw/zinc/76/88/31/442768831.db2.gz JSXVESRCSGCARB-CVEARBPZSA-N 2 1 342.528 1.619 20 0 EDADMP C[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[N@@H+](C)Cc1ccccc1 ZINC000188770028 442809241 /nfs/dbraw/zinc/80/92/41/442809241.db2.gz TZCXKFVHOUUXGU-ZDUSSCGKSA-N 2 1 327.432 1.306 20 0 EDADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000268036497 442825237 /nfs/dbraw/zinc/82/52/37/442825237.db2.gz WRONEBABZPALKR-FUHWJXTLSA-N 2 1 335.492 1.980 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000268041884 442826835 /nfs/dbraw/zinc/82/68/35/442826835.db2.gz QKQCYSNJGGLQSJ-HNNXBMFYSA-N 2 1 338.452 1.074 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000247203095 442840892 /nfs/dbraw/zinc/84/08/92/442840892.db2.gz XJBDFZRXCIADKF-YESZJQIVSA-N 2 1 340.512 1.515 20 0 EDADMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCC1CCCCC1 ZINC000182958488 442854727 /nfs/dbraw/zinc/85/47/27/442854727.db2.gz CKERUOFSASYUFH-UHFFFAOYSA-N 2 1 338.540 1.642 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCC1CCCCC1 ZINC000182958488 442854732 /nfs/dbraw/zinc/85/47/32/442854732.db2.gz CKERUOFSASYUFH-UHFFFAOYSA-N 2 1 338.540 1.642 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C[C@H]1[NH+](C)C ZINC000268220845 442906031 /nfs/dbraw/zinc/90/60/31/442906031.db2.gz OPCMLOQAGVWUAB-RHSMWYFYSA-N 2 1 336.455 1.849 20 0 EDADMP COC[C@@H]1CN(C/C=C/C[N@@H+]2C[C@H](C)O[C@H](COC)C2)C[C@@H](C)O1 ZINC000251714623 443017733 /nfs/dbraw/zinc/01/77/33/443017733.db2.gz KRTOBNNGLXEVGS-WTZILVGLSA-N 2 1 342.480 1.014 20 0 EDADMP COC[C@@H]1CN(C/C=C/C[N@H+]2C[C@H](C)O[C@H](COC)C2)C[C@@H](C)O1 ZINC000251714623 443017735 /nfs/dbraw/zinc/01/77/35/443017735.db2.gz KRTOBNNGLXEVGS-WTZILVGLSA-N 2 1 342.480 1.014 20 0 EDADMP COC[C@@H]1C[NH+](CCCC[N@H+]2C[C@H](C)O[C@H](COC)C2)C[C@@H](C)O1 ZINC000251888269 443020278 /nfs/dbraw/zinc/02/02/78/443020278.db2.gz QCOFOXJYXGNCKA-MHORFTMASA-N 2 1 344.496 1.238 20 0 EDADMP COC[C@@H]1C[NH+](CCCC[N@@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000251888269 443020282 /nfs/dbraw/zinc/02/02/82/443020282.db2.gz QCOFOXJYXGNCKA-MHORFTMASA-N 2 1 344.496 1.238 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000249731323 443002247 /nfs/dbraw/zinc/00/22/47/443002247.db2.gz AHMPRSBBNLGPOR-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1[NH+](C)C ZINC000266205253 443056231 /nfs/dbraw/zinc/05/62/31/443056231.db2.gz PDYDZZFEILUHSG-KBAYOESNSA-N 2 1 331.460 1.296 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1[NH+](C)C ZINC000266205253 443056235 /nfs/dbraw/zinc/05/62/35/443056235.db2.gz PDYDZZFEILUHSG-KBAYOESNSA-N 2 1 331.460 1.296 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000236708787 443145403 /nfs/dbraw/zinc/14/54/03/443145403.db2.gz LBUIGHQJOOVDDE-QGZVFWFLSA-N 2 1 325.497 1.726 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266446173 443129472 /nfs/dbraw/zinc/12/94/72/443129472.db2.gz ARFYYLDZQJPTCO-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266446173 443129478 /nfs/dbraw/zinc/12/94/78/443129478.db2.gz ARFYYLDZQJPTCO-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266446173 443129480 /nfs/dbraw/zinc/12/94/80/443129480.db2.gz ARFYYLDZQJPTCO-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])cc2)CC1 ZINC000237213088 443164291 /nfs/dbraw/zinc/16/42/91/443164291.db2.gz AOQPTMDTENENAE-GOSISDBHSA-N 2 1 330.476 1.387 20 0 EDADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000261694241 443164671 /nfs/dbraw/zinc/16/46/71/443164671.db2.gz NZQAOFUEYLJIMF-INIZCTEOSA-N 2 1 346.475 1.215 20 0 EDADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000262057543 443182229 /nfs/dbraw/zinc/18/22/29/443182229.db2.gz IVBUVHZKQNAQAP-RHSMWYFYSA-N 2 1 335.423 1.409 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000236805784 443149133 /nfs/dbraw/zinc/14/91/33/443149133.db2.gz PIBNNQYADVCFEK-SJORKVTESA-N 2 1 325.497 1.853 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000185194630 443158599 /nfs/dbraw/zinc/15/85/99/443158599.db2.gz DIEPHFLNDVIVRL-UHFFFAOYSA-N 2 1 345.491 1.782 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[C@H]1CCC[NH2+]C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000262576954 443200810 /nfs/dbraw/zinc/20/08/10/443200810.db2.gz KXFBTIOJLBNPFK-VQHPVUNQSA-N 2 1 325.497 1.626 20 0 EDADMP COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000266688479 443208641 /nfs/dbraw/zinc/20/86/41/443208641.db2.gz AEWAJJNJRUJIRA-CYBMUJFWSA-N 2 1 348.447 1.389 20 0 EDADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000387536484 319131969 /nfs/dbraw/zinc/13/19/69/319131969.db2.gz LGKPXLYUSLPQSR-HOTGVXAUSA-N 2 1 326.529 1.399 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000397465522 319134883 /nfs/dbraw/zinc/13/48/83/319134883.db2.gz STHBOBBNKRWUCF-ILXRZTDVSA-N 2 1 329.444 1.978 20 0 EDADMP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC000414055984 319313820 /nfs/dbraw/zinc/31/38/20/319313820.db2.gz CZTBVWZQSZIJMY-CHWSQXEVSA-N 2 1 340.493 1.606 20 0 EDADMP NS(=O)(=O)c1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1Cl ZINC000414273743 319323925 /nfs/dbraw/zinc/32/39/25/319323925.db2.gz ZRPFKFCZFXBNNX-UHFFFAOYSA-N 2 1 345.896 1.953 20 0 EDADMP COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414693488 319343460 /nfs/dbraw/zinc/34/34/60/319343460.db2.gz RTHSJWAMENMQKB-WMZOPIPTSA-N 2 1 345.487 1.899 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCCN4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000414777146 319343784 /nfs/dbraw/zinc/34/37/84/319343784.db2.gz GMBNOMJXVWNGCF-HBMCJLEFSA-N 3 1 342.531 1.782 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000415130238 319347398 /nfs/dbraw/zinc/34/73/98/319347398.db2.gz WMWQWLUIAKNUJJ-AWEZNQCLSA-N 2 1 332.448 1.287 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H](C[NH2+]C)C3)c2C1 ZINC000415388099 319363099 /nfs/dbraw/zinc/36/30/99/319363099.db2.gz CSGJTFOKCFUEJV-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H](C[NH2+]C)C3)c2C1 ZINC000415388099 319363102 /nfs/dbraw/zinc/36/31/02/319363102.db2.gz CSGJTFOKCFUEJV-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP C[NH+]1CCC(O)(CNC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000416158474 319393615 /nfs/dbraw/zinc/39/36/15/319393615.db2.gz GBKHSQCWOKKJTG-UHFFFAOYSA-N 2 1 331.460 1.008 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000266875765 443275746 /nfs/dbraw/zinc/27/57/46/443275746.db2.gz ZACMBFATCOATNO-UHFFFAOYSA-N 2 1 346.519 1.894 20 0 EDADMP Cc1c([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cnn1C(C)(C)C ZINC000191263761 443268847 /nfs/dbraw/zinc/26/88/47/443268847.db2.gz MTNRQJMGWLPORW-AWEZNQCLSA-N 2 1 335.496 1.761 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000416915446 319473655 /nfs/dbraw/zinc/47/36/55/319473655.db2.gz GKFHEFFOGIASIT-APIJFGDWSA-N 2 1 326.485 1.301 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416946057 319482001 /nfs/dbraw/zinc/48/20/01/319482001.db2.gz WRNJUGJGUZMIGR-BRWVUGGUSA-N 2 1 340.512 1.550 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[NH+]1CCOCC1 ZINC000416945382 319482053 /nfs/dbraw/zinc/48/20/53/319482053.db2.gz WFCRGUMVJBYMPK-BZUAXINKSA-N 2 1 326.485 1.112 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000269689133 443397059 /nfs/dbraw/zinc/39/70/59/443397059.db2.gz WEGRBBBXIZLOMQ-WBVHZDCISA-N 2 1 333.480 1.083 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423324176 319763982 /nfs/dbraw/zinc/76/39/82/319763982.db2.gz ATHUFGNICNWSEX-CQSZACIVSA-N 2 1 346.475 1.427 20 0 EDADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000423479573 319778625 /nfs/dbraw/zinc/77/86/25/319778625.db2.gz OGYXYLVXDAFNNN-YPMHNXCESA-N 2 1 332.416 1.986 20 0 EDADMP COCc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)o1 ZINC000283093334 443520395 /nfs/dbraw/zinc/52/03/95/443520395.db2.gz LJCPESIBLHQOOG-INIZCTEOSA-N 2 1 335.448 1.727 20 0 EDADMP COCc1ccc([C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)o1 ZINC000283093334 443520397 /nfs/dbraw/zinc/52/03/97/443520397.db2.gz LJCPESIBLHQOOG-INIZCTEOSA-N 2 1 335.448 1.727 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000279209108 443536134 /nfs/dbraw/zinc/53/61/34/443536134.db2.gz BOOCUQXEWKYMIM-HOTGVXAUSA-N 2 1 332.427 1.920 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000279209108 443536137 /nfs/dbraw/zinc/53/61/37/443536137.db2.gz BOOCUQXEWKYMIM-HOTGVXAUSA-N 2 1 332.427 1.920 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272338190 443596159 /nfs/dbraw/zinc/59/61/59/443596159.db2.gz OJPFPAFYTGTFGU-RDJZCZTQSA-N 2 1 344.459 1.239 20 0 EDADMP C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000279954356 443649096 /nfs/dbraw/zinc/64/90/96/443649096.db2.gz ORFFGGPRSFFZJG-YJBOKZPZSA-N 2 1 331.460 1.589 20 0 EDADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436046690 320018579 /nfs/dbraw/zinc/01/85/79/320018579.db2.gz CBQBONSIWNFMGM-DOTOQJQBSA-N 2 1 346.475 1.183 20 0 EDADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436046690 320018584 /nfs/dbraw/zinc/01/85/84/320018584.db2.gz CBQBONSIWNFMGM-DOTOQJQBSA-N 2 1 346.475 1.183 20 0 EDADMP COC(=O)CC1(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000440689881 320078246 /nfs/dbraw/zinc/07/82/46/320078246.db2.gz CHQPPBHFFIJLAI-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Br)cn2)CC1(C)C ZINC000441354027 320093829 /nfs/dbraw/zinc/09/38/29/320093829.db2.gz WPWJFFOGPGEBSD-UHFFFAOYSA-N 2 1 341.297 1.960 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000286202073 443666883 /nfs/dbraw/zinc/66/68/83/443666883.db2.gz SFAAXRLCBUQBLK-HBXLWWENSA-N 2 1 345.487 1.780 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000286202073 443666886 /nfs/dbraw/zinc/66/68/86/443666886.db2.gz SFAAXRLCBUQBLK-HBXLWWENSA-N 2 1 345.487 1.780 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[N@@H+](C)CC1)[NH+]1CCc2ccccc2C1 ZINC000298662775 443832407 /nfs/dbraw/zinc/83/24/07/443832407.db2.gz CWUUXEIHYGEXMQ-INIZCTEOSA-N 2 1 330.476 1.780 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000298662775 443832410 /nfs/dbraw/zinc/83/24/10/443832410.db2.gz CWUUXEIHYGEXMQ-INIZCTEOSA-N 2 1 330.476 1.780 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000298662775 443832415 /nfs/dbraw/zinc/83/24/15/443832415.db2.gz CWUUXEIHYGEXMQ-INIZCTEOSA-N 2 1 330.476 1.780 20 0 EDADMP CN1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000298859426 443886545 /nfs/dbraw/zinc/88/65/45/443886545.db2.gz FAXNBKWQZYLDNR-UHFFFAOYSA-N 2 1 332.448 1.341 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277164185 443924201 /nfs/dbraw/zinc/92/42/01/443924201.db2.gz KICGCUVDYSGJCY-QZTJIDSGSA-N 2 1 336.476 1.989 20 0 EDADMP C[NH+](C)CCn1ncc(C(=O)N2CC[NH+](C)CC2)c1-c1ccccc1 ZINC000277530606 444002975 /nfs/dbraw/zinc/00/29/75/444002975.db2.gz RLVHOMBHOZGNFD-UHFFFAOYSA-N 2 1 341.459 1.499 20 0 EDADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000289183276 444071829 /nfs/dbraw/zinc/07/18/29/444071829.db2.gz IMGVUNUEZRCDDL-OAHLLOKOSA-N 2 1 335.423 1.575 20 0 EDADMP Cc1nn(C)c2ncc(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)cc12 ZINC000282051718 444073074 /nfs/dbraw/zinc/07/30/74/444073074.db2.gz BAMZIHBDRDQKOM-UHFFFAOYSA-N 2 1 330.480 1.392 20 0 EDADMP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3CCC[N@@H+]3C)ccc2oc1=O ZINC000299499963 444063892 /nfs/dbraw/zinc/06/38/92/444063892.db2.gz KIEKSJXDCZZCDW-CYBMUJFWSA-N 2 1 332.404 1.189 20 0 EDADMP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3CCC[N@H+]3C)ccc2oc1=O ZINC000299499963 444063897 /nfs/dbraw/zinc/06/38/97/444063897.db2.gz KIEKSJXDCZZCDW-CYBMUJFWSA-N 2 1 332.404 1.189 20 0 EDADMP C[NH+]1CCN(c2cccc(C(=O)NCC[C@H]3CCC[N@@H+](C)C3)n2)CC1 ZINC000562661654 321066731 /nfs/dbraw/zinc/06/67/31/321066731.db2.gz XFQAJZKKCDBBNH-MRXNPFEDSA-N 2 1 345.491 1.295 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000285719791 444084287 /nfs/dbraw/zinc/08/42/87/444084287.db2.gz FBTKQPGJSFXZFM-YOEHRIQHSA-N 2 1 329.448 1.317 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000285719791 444084288 /nfs/dbraw/zinc/08/42/88/444084288.db2.gz FBTKQPGJSFXZFM-YOEHRIQHSA-N 2 1 329.448 1.317 20 0 EDADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000562993531 321086413 /nfs/dbraw/zinc/08/64/13/321086413.db2.gz IMXZPTQUVIWTOS-VQIMIIECSA-N 2 1 347.503 1.683 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1)C(C)C ZINC000563101905 321095615 /nfs/dbraw/zinc/09/56/15/321095615.db2.gz UFKOHOSLKBKOOS-SFHVURJKSA-N 2 1 332.492 1.632 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC[C@@H](C)CO)CC2)CC1 ZINC000563384177 321107098 /nfs/dbraw/zinc/10/70/98/321107098.db2.gz DBWPJAJQHZOIMD-MRXNPFEDSA-N 2 1 339.524 1.708 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000565040287 321165610 /nfs/dbraw/zinc/16/56/10/321165610.db2.gz NDWJZZFVEVSOSP-QLFBSQMISA-N 2 1 333.432 1.132 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000565040287 321165611 /nfs/dbraw/zinc/16/56/11/321165611.db2.gz NDWJZZFVEVSOSP-QLFBSQMISA-N 2 1 333.432 1.132 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CCCC(=O)N1Cc2ccccc2C1)C1CC1 ZINC000565770508 321200454 /nfs/dbraw/zinc/20/04/54/321200454.db2.gz XBKOSDYLSKRQFW-GOSISDBHSA-N 2 1 331.460 1.354 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CCCC(=O)N1Cc2ccccc2C1)C1CC1 ZINC000565770508 321200456 /nfs/dbraw/zinc/20/04/56/321200456.db2.gz XBKOSDYLSKRQFW-GOSISDBHSA-N 2 1 331.460 1.354 20 0 EDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000566811514 321234274 /nfs/dbraw/zinc/23/42/74/321234274.db2.gz WMFPBOIAVJKBLV-SUMWQHHRSA-N 2 1 337.489 1.643 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000567806489 321259071 /nfs/dbraw/zinc/25/90/71/321259071.db2.gz OHMCTAPKTSSKFX-MAUKXSAKSA-N 2 1 346.475 1.249 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)C1=CC[N@@H+](C)CC1 ZINC000567871322 321263289 /nfs/dbraw/zinc/26/32/89/321263289.db2.gz KCWJHWMCUQOEAF-KBXCAEBGSA-N 2 1 328.460 1.823 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(C)CCCOC3)CC2)CC1 ZINC000568778616 321306356 /nfs/dbraw/zinc/30/63/56/321306356.db2.gz SXZPXOLXUYHPCJ-LJQANCHMSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000569098450 321318735 /nfs/dbraw/zinc/31/87/35/321318735.db2.gz GEVZDDKWUREOIT-QRTARXTBSA-N 2 1 344.459 1.320 20 0 EDADMP COc1cc(NC(=O)[C@H](C)[NH+]2CC(C)C2)ccc1OCC[NH+](C)C ZINC000570527604 321345701 /nfs/dbraw/zinc/34/57/01/321345701.db2.gz PLNMAUOBGLEXSF-AWEZNQCLSA-N 2 1 335.448 1.914 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)[NH+]1CCOCC1 ZINC000570572595 321348857 /nfs/dbraw/zinc/34/88/57/321348857.db2.gz BTQOSXNXIDISHA-DLBZAZTESA-N 2 1 325.497 1.772 20 0 EDADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(F)cn1 ZINC000285854834 444130028 /nfs/dbraw/zinc/13/00/28/444130028.db2.gz ZHZISYMQPIXAQB-OHRKKDJYSA-N 2 1 334.439 1.955 20 0 EDADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(F)cn1 ZINC000285854834 444130030 /nfs/dbraw/zinc/13/00/30/444130030.db2.gz ZHZISYMQPIXAQB-OHRKKDJYSA-N 2 1 334.439 1.955 20 0 EDADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289849191 444211055 /nfs/dbraw/zinc/21/10/55/444211055.db2.gz RCECNLHXBLPHLV-LRDDRELGSA-N 2 1 325.478 1.641 20 0 EDADMP COCCc1nc(CN2CC[C@H](CNc3cccc(C)n3)C2)no1 ZINC000289916750 444219128 /nfs/dbraw/zinc/21/91/28/444219128.db2.gz OHXYGRFUQQFGMM-CQSZACIVSA-N 2 1 331.420 1.896 20 0 EDADMP C[NH+](C)[C@@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)Cc1ccccc1 ZINC000301663556 444183866 /nfs/dbraw/zinc/18/38/66/444183866.db2.gz YTKWNJJXWICGJF-OAHLLOKOSA-N 2 1 337.431 1.829 20 0 EDADMP COCc1cccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000289940786 444222150 /nfs/dbraw/zinc/22/21/50/444222150.db2.gz XDKIQHPNARLFNK-UHFFFAOYSA-N 2 1 345.487 1.819 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cn2cc[nH+]c12 ZINC000576609707 321581321 /nfs/dbraw/zinc/58/13/21/321581321.db2.gz FHBSGPPZOPIQAD-GOSISDBHSA-N 2 1 341.415 1.183 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000290290031 444263468 /nfs/dbraw/zinc/26/34/68/444263468.db2.gz XWWBTCDIVJWTJC-MOPGFXCFSA-N 2 1 345.487 1.769 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000303984222 444239003 /nfs/dbraw/zinc/23/90/03/444239003.db2.gz HPGGTJUKOBKUDA-DLBZAZTESA-N 2 1 340.512 1.110 20 0 EDADMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290082279 444239672 /nfs/dbraw/zinc/23/96/72/444239672.db2.gz VDWTUMHJEIEHFB-UYAOXDASSA-N 2 1 331.504 1.895 20 0 EDADMP CN(C[C@@H](O)C[NH+](C)C1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290082279 444239675 /nfs/dbraw/zinc/23/96/75/444239675.db2.gz VDWTUMHJEIEHFB-UYAOXDASSA-N 2 1 331.504 1.895 20 0 EDADMP CN(C[C@@H](O)C[NH+](C)C1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290082279 444239679 /nfs/dbraw/zinc/23/96/79/444239679.db2.gz VDWTUMHJEIEHFB-UYAOXDASSA-N 2 1 331.504 1.895 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000304257054 444244275 /nfs/dbraw/zinc/24/42/75/444244275.db2.gz DODZTGJKRCRQCX-UXHICEINSA-N 2 1 331.504 1.897 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1cccnc1N1CCOCC1 ZINC000290635383 444304230 /nfs/dbraw/zinc/30/42/30/444304230.db2.gz HNJBQSIGENZHLJ-OAHLLOKOSA-N 2 1 349.479 1.446 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000577956730 321699495 /nfs/dbraw/zinc/69/94/95/321699495.db2.gz MRESKTKXFPWCCC-SJORKVTESA-N 2 1 330.476 1.944 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000337683780 444351081 /nfs/dbraw/zinc/35/10/81/444351081.db2.gz OPUQCCINAIGETH-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000337683780 444351084 /nfs/dbraw/zinc/35/10/84/444351084.db2.gz OPUQCCINAIGETH-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000337683780 444351089 /nfs/dbraw/zinc/35/10/89/444351089.db2.gz OPUQCCINAIGETH-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H](CC(N)=O)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000340469562 444390867 /nfs/dbraw/zinc/39/08/67/444390867.db2.gz KSAUTQJTAVMWHV-SJLPKXTDSA-N 2 1 345.487 1.769 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@H+](CCN3CCCS3(=O)=O)C2)[nH+]1 ZINC000328610073 444392660 /nfs/dbraw/zinc/39/26/60/444392660.db2.gz NKKOVGMPJYLXSQ-OAHLLOKOSA-N 2 1 338.477 1.159 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCN3CCCS3(=O)=O)C2)[nH+]1 ZINC000328610073 444392663 /nfs/dbraw/zinc/39/26/63/444392663.db2.gz NKKOVGMPJYLXSQ-OAHLLOKOSA-N 2 1 338.477 1.159 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000298048072 444396603 /nfs/dbraw/zinc/39/66/03/444396603.db2.gz SQLXTGOPGWFBBC-AEFFLSMTSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000298048072 444396608 /nfs/dbraw/zinc/39/66/08/444396608.db2.gz SQLXTGOPGWFBBC-AEFFLSMTSA-N 2 1 330.476 1.013 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(c3cc(N4CCC[C@H]4CO)ncn3)C2)C1 ZINC000328699490 444434043 /nfs/dbraw/zinc/43/40/43/444434043.db2.gz MGWCEOGQCXMWHF-MAUKXSAKSA-N 2 1 331.464 1.360 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)c2C1 ZINC000340663576 444475816 /nfs/dbraw/zinc/47/58/16/444475816.db2.gz SEDQLEIETLVDNU-CQSZACIVSA-N 2 1 346.475 1.665 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)c2C1 ZINC000340663576 444475817 /nfs/dbraw/zinc/47/58/17/444475817.db2.gz SEDQLEIETLVDNU-CQSZACIVSA-N 2 1 346.475 1.665 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000580053735 322002280 /nfs/dbraw/zinc/00/22/80/322002280.db2.gz LBLCTASWJYXUEW-GJZGRUSLSA-N 2 1 326.485 1.447 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000580573924 322070450 /nfs/dbraw/zinc/07/04/50/322070450.db2.gz SIYLAXFRRVKRCB-IYBDPMFKSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000580946168 322115354 /nfs/dbraw/zinc/11/53/54/322115354.db2.gz FGVZQSKVLAHXNK-LZQZEXGQSA-N 2 1 344.503 1.472 20 0 EDADMP CC(C)([NH3+])c1nocc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000580962085 322118430 /nfs/dbraw/zinc/11/84/30/322118430.db2.gz MIRHSPDJYFUPCL-DOMZBBRYSA-N 2 1 332.448 1.957 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342152729 444537080 /nfs/dbraw/zinc/53/70/80/444537080.db2.gz YOUBRYWPJIJFDG-IAOVAPTHSA-N 2 1 338.473 1.528 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342152729 444537083 /nfs/dbraw/zinc/53/70/83/444537083.db2.gz YOUBRYWPJIJFDG-IAOVAPTHSA-N 2 1 338.473 1.528 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000340966498 444603658 /nfs/dbraw/zinc/60/36/58/444603658.db2.gz VDGFAPOBJCUMEP-LVQVYYBASA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000340966498 444603661 /nfs/dbraw/zinc/60/36/61/444603661.db2.gz VDGFAPOBJCUMEP-LVQVYYBASA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000340966498 444603663 /nfs/dbraw/zinc/60/36/63/444603663.db2.gz VDGFAPOBJCUMEP-LVQVYYBASA-N 2 1 326.485 1.268 20 0 EDADMP CCN1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ncc[nH]1 ZINC000332953995 444608973 /nfs/dbraw/zinc/60/89/73/444608973.db2.gz GHFHCXCUHYBCPT-ZBFHGGJFSA-N 2 1 346.479 1.282 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000333399272 444664621 /nfs/dbraw/zinc/66/46/21/444664621.db2.gz PSYHIQMASWFVNC-ZACQAIPSSA-N 2 1 331.464 1.610 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)[C@@H](C)C[NH2+]1 ZINC000333858943 444703611 /nfs/dbraw/zinc/70/36/11/444703611.db2.gz YXMAUFGOSPFDIP-WBTNSWJXSA-N 2 1 348.495 1.195 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NCCN1CCc2sccc2C1 ZINC000338499425 444721965 /nfs/dbraw/zinc/72/19/65/444721965.db2.gz MUWGEDDOEBSJPK-UHFFFAOYSA-N 2 1 333.461 1.611 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@@H]12 ZINC000333941885 444723918 /nfs/dbraw/zinc/72/39/18/444723918.db2.gz PMBSPGZPKHGFCD-RCCFBDPRSA-N 2 1 328.460 1.423 20 0 EDADMP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)C1 ZINC000344009552 444725580 /nfs/dbraw/zinc/72/55/80/444725580.db2.gz BAONBTUPUJLSDU-CALCHBBNSA-N 2 1 326.529 1.306 20 0 EDADMP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344040589 444744189 /nfs/dbraw/zinc/74/41/89/444744189.db2.gz VOGAPZWUNDKGAM-ADKAHSJRSA-N 2 1 340.556 1.885 20 0 EDADMP CC[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1C[C@H](C)O ZINC000334102916 444780363 /nfs/dbraw/zinc/78/03/63/444780363.db2.gz WYNJIBOTXJBGAS-YYHXJNRASA-N 2 1 338.496 1.098 20 0 EDADMP CC[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1C[C@H](C)O ZINC000334102916 444780367 /nfs/dbraw/zinc/78/03/67/444780367.db2.gz WYNJIBOTXJBGAS-YYHXJNRASA-N 2 1 338.496 1.098 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH+]2C)C[C@H]1CC ZINC000342656287 444799504 /nfs/dbraw/zinc/79/95/04/444799504.db2.gz LGSIIIUTOHGEKY-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)C[C@H]1CC ZINC000342656287 444799510 /nfs/dbraw/zinc/79/95/10/444799510.db2.gz LGSIIIUTOHGEKY-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)C[C@H]1CC ZINC000342656287 444799515 /nfs/dbraw/zinc/79/95/15/444799515.db2.gz LGSIIIUTOHGEKY-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CC[NH2+]CC1(F)F ZINC000342763867 444853852 /nfs/dbraw/zinc/85/38/52/444853852.db2.gz DWFXNOSPHBZMNK-CYBMUJFWSA-N 2 1 347.475 1.709 20 0 EDADMP CC[C@H](C(=O)OC)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000338839607 444882214 /nfs/dbraw/zinc/88/22/14/444882214.db2.gz HMYPYLSEBRVDNI-CABCVRRESA-N 2 1 327.469 1.060 20 0 EDADMP CCOC(=O)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCC1 ZINC000337317497 445031209 /nfs/dbraw/zinc/03/12/09/445031209.db2.gz LQPZJJCATMOCQJ-UHFFFAOYSA-N 2 1 325.497 1.820 20 0 EDADMP CCOC(=O)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCC1 ZINC000337317497 445031213 /nfs/dbraw/zinc/03/12/13/445031213.db2.gz LQPZJJCATMOCQJ-UHFFFAOYSA-N 2 1 325.497 1.820 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000344548960 445051979 /nfs/dbraw/zinc/05/19/79/445051979.db2.gz OHSJPXMCIFDTNK-IXDOHACOSA-N 2 1 338.496 1.005 20 0 EDADMP NC(=O)N1CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000343104471 445069402 /nfs/dbraw/zinc/06/94/02/445069402.db2.gz OUAHNIVTTYWVNK-UHFFFAOYSA-N 2 1 332.448 1.152 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCO[C@H](C(C)(C)C)C3)cn2)CC1 ZINC000343122327 445080402 /nfs/dbraw/zinc/08/04/02/445080402.db2.gz VNTUGGBGFXNHNY-IRXDYDNUSA-N 2 1 347.507 1.912 20 0 EDADMP Cc1ccc(NCCCNC(=O)NCC2([NH+](C)C)CCCC2)[nH+]c1 ZINC000337444410 445084044 /nfs/dbraw/zinc/08/40/44/445084044.db2.gz OYESMHMNOCEIAN-UHFFFAOYSA-N 2 1 333.480 2.366 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343147833 445095982 /nfs/dbraw/zinc/09/59/82/445095982.db2.gz DEEFEVKZWAVXKX-NEWSRXKRSA-N 2 1 342.487 1.328 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343147833 445095983 /nfs/dbraw/zinc/09/59/83/445095983.db2.gz DEEFEVKZWAVXKX-NEWSRXKRSA-N 2 1 342.487 1.328 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343147833 445095984 /nfs/dbraw/zinc/09/59/84/445095984.db2.gz DEEFEVKZWAVXKX-NEWSRXKRSA-N 2 1 342.487 1.328 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343150508 445098917 /nfs/dbraw/zinc/09/89/17/445098917.db2.gz KJPDTUIEIJHNLD-BRWVUGGUSA-N 2 1 336.524 1.249 20 0 EDADMP C[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[NH+]1CCSCC1 ZINC000343157885 445104058 /nfs/dbraw/zinc/10/40/58/445104058.db2.gz CXCZAXLVXLKECU-HNNXBMFYSA-N 2 1 325.522 1.901 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000343173561 445113858 /nfs/dbraw/zinc/11/38/58/445113858.db2.gz NYXYWDUCVRHCKA-CVEARBPZSA-N 2 1 340.512 1.022 20 0 EDADMP CC[C@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000339270071 445127042 /nfs/dbraw/zinc/12/70/42/445127042.db2.gz KHQUJWQXCDTAGP-IEBWSBKVSA-N 2 1 346.519 1.649 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](C)CC2)C[C@H](C)O1 ZINC000339598611 445151880 /nfs/dbraw/zinc/15/18/80/445151880.db2.gz MIUFPXLFNCSYIL-GJZGRUSLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](C)CC2)C[C@H](C)O1 ZINC000339598611 445151885 /nfs/dbraw/zinc/15/18/85/445151885.db2.gz MIUFPXLFNCSYIL-GJZGRUSLSA-N 2 1 326.485 1.221 20 0 EDADMP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000339638811 445155850 /nfs/dbraw/zinc/15/58/50/445155850.db2.gz JSRFJAMMNALLTB-SQNIBIBYSA-N 2 1 334.508 1.987 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000346019072 445204097 /nfs/dbraw/zinc/20/40/97/445204097.db2.gz PMXXTPCVFZKIBY-QZTJIDSGSA-N 2 1 331.460 1.611 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000346019072 445204100 /nfs/dbraw/zinc/20/41/00/445204100.db2.gz PMXXTPCVFZKIBY-QZTJIDSGSA-N 2 1 331.460 1.611 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343416500 445218560 /nfs/dbraw/zinc/21/85/60/445218560.db2.gz YWGRZGXQFHUXHC-OALUTQOASA-N 2 1 342.487 1.157 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343416500 445218562 /nfs/dbraw/zinc/21/85/62/445218562.db2.gz YWGRZGXQFHUXHC-OALUTQOASA-N 2 1 342.487 1.157 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343416500 445218563 /nfs/dbraw/zinc/21/85/63/445218563.db2.gz YWGRZGXQFHUXHC-OALUTQOASA-N 2 1 342.487 1.157 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000343446768 445224588 /nfs/dbraw/zinc/22/45/88/445224588.db2.gz MCOTXIHVZMKZAD-WMLDXEAASA-N 2 1 334.439 1.849 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000343446768 445224590 /nfs/dbraw/zinc/22/45/90/445224590.db2.gz MCOTXIHVZMKZAD-WMLDXEAASA-N 2 1 334.439 1.849 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000347519195 445240720 /nfs/dbraw/zinc/24/07/20/445240720.db2.gz DEOIVMUAQLFQRM-JKSUJKDBSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C1 ZINC000351793072 445324094 /nfs/dbraw/zinc/32/40/94/445324094.db2.gz MSAUPMUPYNICLY-GJZGRUSLSA-N 2 1 340.512 1.346 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000348208474 445316914 /nfs/dbraw/zinc/31/69/14/445316914.db2.gz FKNDGAJBQMGGAQ-HNNXBMFYSA-N 2 1 326.510 1.163 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1C[C@H](OC)C[C@@H]1C[NH+]1CCCC1 ZINC000348130056 445284218 /nfs/dbraw/zinc/28/42/18/445284218.db2.gz UEVBOWQTJZRLTC-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC000351820142 445332793 /nfs/dbraw/zinc/33/27/93/445332793.db2.gz COTUSXGPUHUADG-PKOBYXMFSA-N 2 1 345.487 1.342 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)[C@H](O)C2)CC1 ZINC000351820142 445332794 /nfs/dbraw/zinc/33/27/94/445332794.db2.gz COTUSXGPUHUADG-PKOBYXMFSA-N 2 1 345.487 1.342 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)[C@H](O)C2)CC1 ZINC000351820142 445332797 /nfs/dbraw/zinc/33/27/97/445332797.db2.gz COTUSXGPUHUADG-PKOBYXMFSA-N 2 1 345.487 1.342 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000351854307 445343894 /nfs/dbraw/zinc/34/38/94/445343894.db2.gz QGAQXQNYFHOAON-UONOGXRCSA-N 2 1 326.462 1.528 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000351854307 445343896 /nfs/dbraw/zinc/34/38/96/445343896.db2.gz QGAQXQNYFHOAON-UONOGXRCSA-N 2 1 326.462 1.528 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000351860514 445345580 /nfs/dbraw/zinc/34/55/80/445345580.db2.gz IVYYEFNRWQHXNP-IAGOWNOFSA-N 2 1 345.487 1.520 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000351860514 445345584 /nfs/dbraw/zinc/34/55/84/445345584.db2.gz IVYYEFNRWQHXNP-IAGOWNOFSA-N 2 1 345.487 1.520 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000351860512 445345883 /nfs/dbraw/zinc/34/58/83/445345883.db2.gz IVYYEFNRWQHXNP-DLBZAZTESA-N 2 1 345.487 1.520 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000351860512 445345885 /nfs/dbraw/zinc/34/58/85/445345885.db2.gz IVYYEFNRWQHXNP-DLBZAZTESA-N 2 1 345.487 1.520 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354713200 445348574 /nfs/dbraw/zinc/34/85/74/445348574.db2.gz QKHBYHTZBYNPPV-JKSUJKDBSA-N 2 1 338.496 1.016 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000362389066 445356681 /nfs/dbraw/zinc/35/66/81/445356681.db2.gz LMQSUFVEZKHQAA-YJBOKZPZSA-N 2 1 331.460 1.333 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000362389066 445356683 /nfs/dbraw/zinc/35/66/83/445356683.db2.gz LMQSUFVEZKHQAA-YJBOKZPZSA-N 2 1 331.460 1.333 20 0 EDADMP COCC1(C)CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000354756123 445368726 /nfs/dbraw/zinc/36/87/26/445368726.db2.gz DERXSYMUPUJLLK-UHFFFAOYSA-N 2 1 333.480 1.477 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1O ZINC000351960792 445401563 /nfs/dbraw/zinc/40/15/63/445401563.db2.gz WIPKKWGSXFGIGD-CRAIPNDOSA-N 2 1 331.460 1.211 20 0 EDADMP CC[N@@H+]1CC[C@@H](CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000354807002 445402059 /nfs/dbraw/zinc/40/20/59/445402059.db2.gz NEHGFRZWOOWNJS-AWEZNQCLSA-N 2 1 330.436 1.294 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000354807002 445402064 /nfs/dbraw/zinc/40/20/64/445402064.db2.gz NEHGFRZWOOWNJS-AWEZNQCLSA-N 2 1 330.436 1.294 20 0 EDADMP CCN(C)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000359766542 445415881 /nfs/dbraw/zinc/41/58/81/445415881.db2.gz OEQMFOFGXFJSJH-INIZCTEOSA-N 2 1 333.480 1.215 20 0 EDADMP CCN(C)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000359766542 445415885 /nfs/dbraw/zinc/41/58/85/445415885.db2.gz OEQMFOFGXFJSJH-INIZCTEOSA-N 2 1 333.480 1.215 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]1C1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000348952610 445452970 /nfs/dbraw/zinc/45/29/70/445452970.db2.gz VXBXEAVLGPPIIU-GOSISDBHSA-N 2 1 335.492 1.620 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCSC3(CCOCC3)C2)CC1 ZINC000352046349 445457287 /nfs/dbraw/zinc/45/72/87/445457287.db2.gz SXJKAMMLDVWINF-UHFFFAOYSA-N 2 1 341.521 1.185 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3C[C@H](C)[C@H]([NH+](C)C)C3)CC2)[nH+]1 ZINC000362630219 445471065 /nfs/dbraw/zinc/47/10/65/445471065.db2.gz GQYXTXISBJMILG-WMLDXEAASA-N 2 1 345.491 1.950 20 0 EDADMP CN(CC[N@@H+](C)Cc1ccc([S@](C)=O)cc1)C1CC[NH+](C)CC1 ZINC000349063565 445492680 /nfs/dbraw/zinc/49/26/80/445492680.db2.gz QHFRVNXGZRFOEH-QHCPKHFHSA-N 2 1 337.533 1.882 20 0 EDADMP C[NH2+][C@@H](C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)c1cnn(C)c1 ZINC000357247323 445505887 /nfs/dbraw/zinc/50/58/87/445505887.db2.gz ZKTUNQHLILNLOD-BDVYOWHSSA-N 2 1 333.480 1.404 20 0 EDADMP Cc1cc(C)n2c(C[N@@H+](C)CCCN3CC[NH+](C)CC3)cnc2n1 ZINC000349330829 445566180 /nfs/dbraw/zinc/56/61/80/445566180.db2.gz KINAYSRKIBPTAC-UHFFFAOYSA-N 2 1 330.480 1.415 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NCC2([NH+](C)C)CCOCC2)CC[N@H+]1C ZINC000362857137 445583028 /nfs/dbraw/zinc/58/30/28/445583028.db2.gz VFULIDDFNUQHMM-OAHLLOKOSA-N 2 1 326.485 1.079 20 0 EDADMP O[C@H](COc1ccccc1F)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000362926658 445612431 /nfs/dbraw/zinc/61/24/31/445612431.db2.gz RSVTWALRYDMXPI-CVYDXHPNSA-N 2 1 334.435 1.982 20 0 EDADMP O[C@H](COc1ccccc1F)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000362926658 445612436 /nfs/dbraw/zinc/61/24/36/445612436.db2.gz RSVTWALRYDMXPI-CVYDXHPNSA-N 2 1 334.435 1.982 20 0 EDADMP O[C@H](COc1ccccc1F)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000362926658 445612439 /nfs/dbraw/zinc/61/24/39/445612439.db2.gz RSVTWALRYDMXPI-CVYDXHPNSA-N 2 1 334.435 1.982 20 0 EDADMP O[C@H](COc1ccccc1F)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000362926658 445612444 /nfs/dbraw/zinc/61/24/44/445612444.db2.gz RSVTWALRYDMXPI-CVYDXHPNSA-N 2 1 334.435 1.982 20 0 EDADMP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353473839 445618332 /nfs/dbraw/zinc/61/83/32/445618332.db2.gz SPHIEZJYPIGDJR-RVKKMQEKSA-N 2 1 333.476 1.895 20 0 EDADMP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353473839 445618337 /nfs/dbraw/zinc/61/83/37/445618337.db2.gz SPHIEZJYPIGDJR-RVKKMQEKSA-N 2 1 333.476 1.895 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)[C@H]2CCC[C@H]21 ZINC000353502891 445632720 /nfs/dbraw/zinc/63/27/20/445632720.db2.gz MQSIPXBORHEYDN-PQEBFOHHSA-N 2 1 348.443 1.617 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000353505585 445633726 /nfs/dbraw/zinc/63/37/26/445633726.db2.gz HYBOKJRZGZDBQA-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000353505585 445633730 /nfs/dbraw/zinc/63/37/30/445633730.db2.gz HYBOKJRZGZDBQA-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000353505192 445633928 /nfs/dbraw/zinc/63/39/28/445633928.db2.gz GKIGHTCLEFOBHU-WMLDXEAASA-N 2 1 346.475 1.064 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)CC1 ZINC000360237083 445647712 /nfs/dbraw/zinc/64/77/12/445647712.db2.gz FOGNTOCIUNZBGK-DLBZAZTESA-N 2 1 342.430 1.924 20 0 EDADMP CN(C(=O)NCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000349801190 445682250 /nfs/dbraw/zinc/68/22/50/445682250.db2.gz MXTWZVPZGZCCME-SFHVURJKSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C(=O)NCC[N@H+](C)Cc1ccccc1)[C@H]1CC[NH+](C2CC2)C1 ZINC000349801190 445682255 /nfs/dbraw/zinc/68/22/55/445682255.db2.gz MXTWZVPZGZCCME-SFHVURJKSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C(=O)NCC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH+](C2CC2)C1 ZINC000349801190 445682260 /nfs/dbraw/zinc/68/22/60/445682260.db2.gz MXTWZVPZGZCCME-SFHVURJKSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C(=O)NCC[NH+]1CCc2sccc2C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349840173 445695576 /nfs/dbraw/zinc/69/55/76/445695576.db2.gz OLAJKHGOBXFLLW-MRXNPFEDSA-N 2 1 348.516 1.984 20 0 EDADMP CN(C(=O)NCC[NH+]1CCc2sccc2C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000349840173 445695579 /nfs/dbraw/zinc/69/55/79/445695579.db2.gz OLAJKHGOBXFLLW-MRXNPFEDSA-N 2 1 348.516 1.984 20 0 EDADMP CN(C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000349840173 445695583 /nfs/dbraw/zinc/69/55/83/445695583.db2.gz OLAJKHGOBXFLLW-MRXNPFEDSA-N 2 1 348.516 1.984 20 0 EDADMP CN(C(=O)NCC[N@H+]1CCc2sccc2C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000349840173 445695586 /nfs/dbraw/zinc/69/55/86/445695586.db2.gz OLAJKHGOBXFLLW-MRXNPFEDSA-N 2 1 348.516 1.984 20 0 EDADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccn(C)n3)C2=O)CC1 ZINC000363175786 445707703 /nfs/dbraw/zinc/70/77/03/445707703.db2.gz AYBFWUFGAVOFGD-QGZVFWFLSA-N 2 1 347.507 1.969 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccn(C)n3)C2=O)CC1 ZINC000363175786 445707705 /nfs/dbraw/zinc/70/77/05/445707705.db2.gz AYBFWUFGAVOFGD-QGZVFWFLSA-N 2 1 347.507 1.969 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C2)C1 ZINC000356293117 445722064 /nfs/dbraw/zinc/72/20/64/445722064.db2.gz HMUQGTXZRBACOF-MJGOQNOKSA-N 2 1 335.492 1.574 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC000363247786 445738978 /nfs/dbraw/zinc/73/89/78/445738978.db2.gz VDYKWBJAFUTYCF-DLBZAZTESA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC000363247786 445738984 /nfs/dbraw/zinc/73/89/84/445738984.db2.gz VDYKWBJAFUTYCF-DLBZAZTESA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC000363247786 445738988 /nfs/dbraw/zinc/73/89/88/445738988.db2.gz VDYKWBJAFUTYCF-DLBZAZTESA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358723023 445743169 /nfs/dbraw/zinc/74/31/69/445743169.db2.gz OXXVUZFVVCKMQG-BEFAXECRSA-N 2 1 348.491 1.482 20 0 EDADMP C[C@H]1CC[C@@H]([N@H+](CCO)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000356353915 445749671 /nfs/dbraw/zinc/74/96/71/445749671.db2.gz CPSUOUDZHVUIND-DOTOQJQBSA-N 2 1 333.480 1.211 20 0 EDADMP C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000356353915 445749673 /nfs/dbraw/zinc/74/96/73/445749673.db2.gz CPSUOUDZHVUIND-DOTOQJQBSA-N 2 1 333.480 1.211 20 0 EDADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000350027655 445752166 /nfs/dbraw/zinc/75/21/66/445752166.db2.gz PJOZTFWZQBPMAM-INIZCTEOSA-N 2 1 336.480 1.121 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000353793278 445758588 /nfs/dbraw/zinc/75/85/88/445758588.db2.gz JICWDOIPTZZENM-BZSNNMDCSA-N 2 1 336.524 1.249 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1OCCc2ccccc21 ZINC000363306644 445759750 /nfs/dbraw/zinc/75/97/50/445759750.db2.gz JTSYRFRFIUYWSK-QGZVFWFLSA-N 2 1 332.448 1.137 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)C[C@H]1C ZINC000353801809 445762996 /nfs/dbraw/zinc/76/29/96/445762996.db2.gz UHCMMYHMFODDQU-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)C[C@H]1C ZINC000353801809 445763001 /nfs/dbraw/zinc/76/30/01/445763001.db2.gz UHCMMYHMFODDQU-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC000353801809 445763005 /nfs/dbraw/zinc/76/30/05/445763005.db2.gz UHCMMYHMFODDQU-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC000353801809 445763010 /nfs/dbraw/zinc/76/30/10/445763010.db2.gz UHCMMYHMFODDQU-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CN(CC[N@H+]1CCCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000361391307 445763323 /nfs/dbraw/zinc/76/33/23/445763323.db2.gz OJDXCEOXDOZKMM-HXUWFJFHSA-N 2 1 347.503 1.278 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361391307 445763327 /nfs/dbraw/zinc/76/33/27/445763327.db2.gz OJDXCEOXDOZKMM-HXUWFJFHSA-N 2 1 347.503 1.278 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361391307 445763332 /nfs/dbraw/zinc/76/33/32/445763332.db2.gz OJDXCEOXDOZKMM-HXUWFJFHSA-N 2 1 347.503 1.278 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000363317026 445764059 /nfs/dbraw/zinc/76/40/59/445764059.db2.gz SMWSLMYUWXFFOM-RCCFBDPRSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H](C(=O)N(C)C)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358876799 445826895 /nfs/dbraw/zinc/82/68/95/445826895.db2.gz VHGNTWDIUIJXFO-BZUAXINKSA-N 2 1 341.496 1.053 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)CC(C)C ZINC000353845094 445781170 /nfs/dbraw/zinc/78/11/70/445781170.db2.gz MWKASGNZSMYLFE-DLBZAZTESA-N 2 1 326.529 1.495 20 0 EDADMP CC(C)[C@H](C(=O)NCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000363391735 445784948 /nfs/dbraw/zinc/78/49/48/445784948.db2.gz YFDLCYWZZHDXHD-RBUKOAKNSA-N 2 1 346.519 1.678 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000350255779 445801450 /nfs/dbraw/zinc/80/14/50/445801450.db2.gz UGAGDPJXKHXQEX-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000350255779 445801454 /nfs/dbraw/zinc/80/14/54/445801454.db2.gz UGAGDPJXKHXQEX-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)CC(C)(C)C ZINC000361521787 445801593 /nfs/dbraw/zinc/80/15/93/445801593.db2.gz IWHLZJPMWFNSKW-MRXNPFEDSA-N 2 1 327.513 1.827 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)CC(C)(C)C ZINC000361521787 445801599 /nfs/dbraw/zinc/80/15/99/445801599.db2.gz IWHLZJPMWFNSKW-MRXNPFEDSA-N 2 1 327.513 1.827 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)CC(C)(C)C ZINC000361521787 445801603 /nfs/dbraw/zinc/80/16/03/445801603.db2.gz IWHLZJPMWFNSKW-MRXNPFEDSA-N 2 1 327.513 1.827 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000350284613 445805586 /nfs/dbraw/zinc/80/55/86/445805586.db2.gz FDXSLVJRKJTVBZ-AWEZNQCLSA-N 2 1 342.484 1.043 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000350284613 445805590 /nfs/dbraw/zinc/80/55/90/445805590.db2.gz FDXSLVJRKJTVBZ-AWEZNQCLSA-N 2 1 342.484 1.043 20 0 EDADMP COCC1(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CC[NH2+]CC1 ZINC000358854399 445811802 /nfs/dbraw/zinc/81/18/02/445811802.db2.gz JWCMPMFMKHXBDJ-UHFFFAOYSA-N 2 1 346.475 1.491 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000361583870 445833023 /nfs/dbraw/zinc/83/30/23/445833023.db2.gz SWCJOJUOMVOTFY-BRWVUGGUSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000361583870 445833028 /nfs/dbraw/zinc/83/30/28/445833028.db2.gz SWCJOJUOMVOTFY-BRWVUGGUSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000361583870 445833029 /nfs/dbraw/zinc/83/30/29/445833029.db2.gz SWCJOJUOMVOTFY-BRWVUGGUSA-N 2 1 338.496 1.413 20 0 EDADMP CC(C)[NH+]1CCC(N(C)C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000356589269 445874418 /nfs/dbraw/zinc/87/44/18/445874418.db2.gz RFHIQXQGTZJHRP-UHFFFAOYSA-N 2 1 325.497 1.820 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@H](C)C[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000354136939 445934262 /nfs/dbraw/zinc/93/42/62/445934262.db2.gz KSHKPICRCUQKND-CYBMUJFWSA-N 2 1 334.468 1.312 20 0 EDADMP c1cc(NC2CC[NH+](C3CCCCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000364004844 445890419 /nfs/dbraw/zinc/89/04/19/445890419.db2.gz WYSZIYGBBUWTQF-UHFFFAOYSA-N 2 1 345.491 2.522 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000359060616 445919118 /nfs/dbraw/zinc/91/91/18/445919118.db2.gz URQZDSFXARDAHV-DLBZAZTESA-N 2 1 342.528 1.907 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000359060616 445919124 /nfs/dbraw/zinc/91/91/24/445919124.db2.gz URQZDSFXARDAHV-DLBZAZTESA-N 2 1 342.528 1.907 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000359060616 445919129 /nfs/dbraw/zinc/91/91/29/445919129.db2.gz URQZDSFXARDAHV-DLBZAZTESA-N 2 1 342.528 1.907 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000356737354 445979305 /nfs/dbraw/zinc/97/93/05/445979305.db2.gz ZBDINRRDWJPYSC-QZTJIDSGSA-N 2 1 346.475 1.083 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000356737354 445979307 /nfs/dbraw/zinc/97/93/07/445979307.db2.gz ZBDINRRDWJPYSC-QZTJIDSGSA-N 2 1 346.475 1.083 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000356737354 445979309 /nfs/dbraw/zinc/97/93/09/445979309.db2.gz ZBDINRRDWJPYSC-QZTJIDSGSA-N 2 1 346.475 1.083 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000356737354 445979310 /nfs/dbraw/zinc/97/93/10/445979310.db2.gz ZBDINRRDWJPYSC-QZTJIDSGSA-N 2 1 346.475 1.083 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC000361793337 445950973 /nfs/dbraw/zinc/95/09/73/445950973.db2.gz WZSNHIQSUNKMPQ-HLLBOEOZSA-N 2 1 342.553 1.938 20 0 EDADMP CCCCOC[C@@H](O)C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000365119606 446038103 /nfs/dbraw/zinc/03/81/03/446038103.db2.gz IPSIBIPOAMBOLV-MSOLQXFVSA-N 2 1 327.513 1.123 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000361892305 446045690 /nfs/dbraw/zinc/04/56/90/446045690.db2.gz FBQJWTOYPMGVCP-BSDSXHPESA-N 2 1 337.508 1.759 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CN2CCOCC2)[C@H](C)C1 ZINC000361893763 446046528 /nfs/dbraw/zinc/04/65/28/446046528.db2.gz ROKYCTSINSWVPN-OTWHNJEPSA-N 2 1 341.540 1.681 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000354208037 446001565 /nfs/dbraw/zinc/00/15/65/446001565.db2.gz NMLHBOTXBGPWPD-FUHWJXTLSA-N 2 1 338.540 1.780 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359220569 446051282 /nfs/dbraw/zinc/05/12/82/446051282.db2.gz FMUKKYUAEDJULJ-MRXNPFEDSA-N 3 1 339.528 1.138 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000583192665 326022858 /nfs/dbraw/zinc/02/28/58/326022858.db2.gz WATQKUYFFUHESG-UHFFFAOYSA-N 2 1 330.432 1.942 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000373192729 446089274 /nfs/dbraw/zinc/08/92/74/446089274.db2.gz WANBEVVFQGANJD-QYZOEREBSA-N 2 1 344.503 1.895 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000369332412 446078546 /nfs/dbraw/zinc/07/85/46/446078546.db2.gz SFFFCXUZJPSBMN-INIZCTEOSA-N 2 1 347.507 1.589 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000369332412 446078551 /nfs/dbraw/zinc/07/85/51/446078551.db2.gz SFFFCXUZJPSBMN-INIZCTEOSA-N 2 1 347.507 1.589 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351481619 446081809 /nfs/dbraw/zinc/08/18/09/446081809.db2.gz XTMPCIPAFASIDU-JQHSSLGASA-N 2 1 331.460 1.508 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351481619 446081812 /nfs/dbraw/zinc/08/18/12/446081812.db2.gz XTMPCIPAFASIDU-JQHSSLGASA-N 2 1 331.460 1.508 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351494106 446097853 /nfs/dbraw/zinc/09/78/53/446097853.db2.gz NHVHNOVXCUHWCD-WDSOQIARSA-N 2 1 345.487 1.897 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351494106 446097865 /nfs/dbraw/zinc/09/78/65/446097865.db2.gz NHVHNOVXCUHWCD-WDSOQIARSA-N 2 1 345.487 1.897 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCCC[C@@H]1CC ZINC000359282890 446118973 /nfs/dbraw/zinc/11/89/73/446118973.db2.gz XSNPBYHPXZEZTN-CVEARBPZSA-N 2 1 340.512 1.214 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000359282890 446118976 /nfs/dbraw/zinc/11/89/76/446118976.db2.gz XSNPBYHPXZEZTN-CVEARBPZSA-N 2 1 340.512 1.214 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000359282890 446118979 /nfs/dbraw/zinc/11/89/79/446118979.db2.gz XSNPBYHPXZEZTN-CVEARBPZSA-N 2 1 340.512 1.214 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000373252824 446124940 /nfs/dbraw/zinc/12/49/40/446124940.db2.gz PXZSCLDYWPGKID-IEZWGBDMSA-N 2 1 349.519 1.866 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000373252824 446124943 /nfs/dbraw/zinc/12/49/43/446124943.db2.gz PXZSCLDYWPGKID-IEZWGBDMSA-N 2 1 349.519 1.866 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2CC)C[C@@H]1[NH+]1CCOCC1 ZINC000366384260 446184465 /nfs/dbraw/zinc/18/44/65/446184465.db2.gz JSUMQSVBRVLGNW-IKGGRYGDSA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2CC)C[C@@H]1[NH+]1CCOCC1 ZINC000366384260 446184468 /nfs/dbraw/zinc/18/44/68/446184468.db2.gz JSUMQSVBRVLGNW-IKGGRYGDSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC000354438707 446204187 /nfs/dbraw/zinc/20/41/87/446204187.db2.gz OZNJMKDJRZWQNY-AEFFLSMTSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@]2([NH+](C)C)CCCSC2)CCCO1 ZINC000365455028 446214952 /nfs/dbraw/zinc/21/49/52/446214952.db2.gz GSUHKAVESJHAIR-NVXWUHKLSA-N 2 1 343.537 1.431 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000365614435 446274664 /nfs/dbraw/zinc/27/46/64/446274664.db2.gz TWIGJPOVNTXWSK-CQSZACIVSA-N 2 1 345.447 1.822 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000366767853 446342699 /nfs/dbraw/zinc/34/26/99/446342699.db2.gz UUROKYYUHYBRRD-QGZVFWFLSA-N 2 1 334.464 1.441 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000366767853 446342703 /nfs/dbraw/zinc/34/27/03/446342703.db2.gz UUROKYYUHYBRRD-QGZVFWFLSA-N 2 1 334.464 1.441 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000366767853 446342706 /nfs/dbraw/zinc/34/27/06/446342706.db2.gz UUROKYYUHYBRRD-QGZVFWFLSA-N 2 1 334.464 1.441 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000366767853 446342709 /nfs/dbraw/zinc/34/27/09/446342709.db2.gz UUROKYYUHYBRRD-QGZVFWFLSA-N 2 1 334.464 1.441 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000359571654 446298827 /nfs/dbraw/zinc/29/88/27/446298827.db2.gz NZTKCBWFOJZANJ-UHFFFAOYSA-N 2 1 343.431 1.778 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417510610 446358004 /nfs/dbraw/zinc/35/80/04/446358004.db2.gz XKSWXVJIJWIVPE-MOPGFXCFSA-N 2 1 344.503 1.944 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000417518187 446360434 /nfs/dbraw/zinc/36/04/34/446360434.db2.gz SCIXOTUUMCWURY-KRWDZBQOSA-N 2 1 348.491 1.877 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)[C@@H](C)C1 ZINC000370632847 446365627 /nfs/dbraw/zinc/36/56/27/446365627.db2.gz DHHXOVIFXMFFFF-ZOBUZTSGSA-N 2 1 330.476 1.684 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417717546 446370921 /nfs/dbraw/zinc/37/09/21/446370921.db2.gz VFCJMZSSRBWGOM-IAGOWNOFSA-N 2 1 334.464 1.487 20 0 EDADMP COC[C@@]1(CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000417866391 446375481 /nfs/dbraw/zinc/37/54/81/446375481.db2.gz CFOZALKZHOMEBX-RDJZCZTQSA-N 2 1 326.485 1.032 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000417899279 446380494 /nfs/dbraw/zinc/38/04/94/446380494.db2.gz YMKOLTQTWGXDSO-SJLPKXTDSA-N 2 1 336.524 1.995 20 0 EDADMP CC(C)c1nc([C@H]2CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)no1 ZINC000374791628 446394768 /nfs/dbraw/zinc/39/47/68/446394768.db2.gz FUTKKWPHNUMHPW-HNNXBMFYSA-N 2 1 349.479 1.537 20 0 EDADMP CC(C)c1nc([C@H]2CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)no1 ZINC000374791628 446394771 /nfs/dbraw/zinc/39/47/71/446394771.db2.gz FUTKKWPHNUMHPW-HNNXBMFYSA-N 2 1 349.479 1.537 20 0 EDADMP CCOCCNC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000365904741 446396525 /nfs/dbraw/zinc/39/65/25/446396525.db2.gz FXVSFPGOUPHRNW-IEBWSBKVSA-N 2 1 347.503 1.982 20 0 EDADMP COc1cc2[nH+]c(NC[C@H]3CC[C@H](C[NH3+])CC3)nc(N)c2cc1OC ZINC000420253386 446433204 /nfs/dbraw/zinc/43/32/04/446433204.db2.gz DMLKOLVTCANRQC-TXEJJXNPSA-N 2 1 345.447 1.828 20 0 EDADMP [NH3+]CCNC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000418096990 446439294 /nfs/dbraw/zinc/43/92/94/446439294.db2.gz YABYHGUGOZCXNM-UHFFFAOYSA-N 2 1 343.431 1.564 20 0 EDADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420286807 446453184 /nfs/dbraw/zinc/45/31/84/446453184.db2.gz FQOKNDBNENSJHN-GOEBONIOSA-N 2 1 346.475 1.363 20 0 EDADMP C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417990238 446409076 /nfs/dbraw/zinc/40/90/76/446409076.db2.gz KDDFBYUIYCIVJM-SCRDCRAPSA-N 2 1 332.439 1.921 20 0 EDADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418043895 446423516 /nfs/dbraw/zinc/42/35/16/446423516.db2.gz ZGKQZNGZBNRLAY-QZTJIDSGSA-N 2 1 348.491 1.431 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000418204005 446456884 /nfs/dbraw/zinc/45/68/84/446456884.db2.gz PEFQKXMOVFBSMC-JKSUJKDBSA-N 2 1 340.512 1.504 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)CC[C@H]3CC[NH2+]C3)C2=O)c1 ZINC000420299867 446461688 /nfs/dbraw/zinc/46/16/88/446461688.db2.gz JPUAOQCVLYPXLJ-KDOFPFPSSA-N 2 1 347.459 1.741 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCCCC1 ZINC000452799571 446474751 /nfs/dbraw/zinc/47/47/51/446474751.db2.gz UADGRAKJUOCYHV-DLBZAZTESA-N 2 1 325.497 1.460 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCC[NH2+]C ZINC000418279175 446481810 /nfs/dbraw/zinc/48/18/10/446481810.db2.gz OSAXZKIQHNEPTD-QGZVFWFLSA-N 2 1 333.480 1.687 20 0 EDADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000376412553 446482748 /nfs/dbraw/zinc/48/27/48/446482748.db2.gz IAILDZVUMJIZTI-LSDHHAIUSA-N 2 1 331.464 1.988 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000420319246 446486129 /nfs/dbraw/zinc/48/61/29/446486129.db2.gz XOSFDSXNBGBTHP-AWEZNQCLSA-N 2 1 344.381 1.920 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000420319246 446486134 /nfs/dbraw/zinc/48/61/34/446486134.db2.gz XOSFDSXNBGBTHP-AWEZNQCLSA-N 2 1 344.381 1.920 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000420324124 446489466 /nfs/dbraw/zinc/48/94/66/446489466.db2.gz ZFHSSCLOJXEWSU-FZKQIMNGSA-N 2 1 333.432 1.149 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000420324124 446489467 /nfs/dbraw/zinc/48/94/67/446489467.db2.gz ZFHSSCLOJXEWSU-FZKQIMNGSA-N 2 1 333.432 1.149 20 0 EDADMP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000367050485 446488958 /nfs/dbraw/zinc/48/89/58/446488958.db2.gz POHWTIMBAQEYIS-ZWKOTPCHSA-N 2 1 337.508 1.332 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000420327120 446495999 /nfs/dbraw/zinc/49/59/99/446495999.db2.gz DBEZZHOLZMIQIY-IYBDPMFKSA-N 2 1 344.459 1.883 20 0 EDADMP Cn1c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)nc2ccccc2c1=O ZINC000420336149 446506582 /nfs/dbraw/zinc/50/65/82/446506582.db2.gz LMGUWRVWPPPRAC-INIZCTEOSA-N 2 1 326.444 1.898 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000418349477 446509136 /nfs/dbraw/zinc/50/91/36/446509136.db2.gz SDABEBPRFLZQCQ-HKUYNNGSSA-N 2 1 344.503 1.944 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1)Cc1ccccc1 ZINC000423381080 446509747 /nfs/dbraw/zinc/50/97/47/446509747.db2.gz NHXMTDIBTVRNHF-IBGZPJMESA-N 2 1 344.503 1.390 20 0 EDADMP C[C@H]([NH3+])c1ccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000423383935 446511225 /nfs/dbraw/zinc/51/12/25/446511225.db2.gz FRZQRLCMOYOGTE-WMLDXEAASA-N 2 1 346.475 1.379 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423341513 446496983 /nfs/dbraw/zinc/49/69/83/446496983.db2.gz XZEPAKYNSBTWCC-HUUCEWRRSA-N 2 1 333.480 1.301 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418325328 446499365 /nfs/dbraw/zinc/49/93/65/446499365.db2.gz IVPOHVRMPVCFFL-QGZVFWFLSA-N 2 1 333.480 1.545 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000423360608 446499613 /nfs/dbraw/zinc/49/96/13/446499613.db2.gz WFOHZSBSOZYXTN-IRXDYDNUSA-N 2 1 347.459 1.466 20 0 EDADMP COc1cccc(OCC[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000420385019 446561423 /nfs/dbraw/zinc/56/14/23/446561423.db2.gz GFPREKAYXPQNMR-MSOLQXFVSA-N 2 1 332.444 1.774 20 0 EDADMP C[N@@H+](CCC(=O)NC1CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367623356 446568588 /nfs/dbraw/zinc/56/85/88/446568588.db2.gz NNFZPRXMZZQDDX-GOSISDBHSA-N 2 1 336.524 1.536 20 0 EDADMP C[N@@H+](CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)Cc1ccccc1 ZINC000433371199 446566054 /nfs/dbraw/zinc/56/60/54/446566054.db2.gz AEWWTTVODZARAR-INIZCTEOSA-N 2 1 342.447 1.064 20 0 EDADMP O=C(NC[C@@H]1CCC[NH2+]1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418379757 446521486 /nfs/dbraw/zinc/52/14/86/446521486.db2.gz WGXYWMBMONNJMA-QRVBRYPASA-N 2 1 342.487 1.902 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000423410714 446523842 /nfs/dbraw/zinc/52/38/42/446523842.db2.gz SNSGBJXCIGREFI-WBVHZDCISA-N 2 1 333.480 1.515 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000418397272 446527878 /nfs/dbraw/zinc/52/78/78/446527878.db2.gz DERKMIQCRHDZNU-GOSISDBHSA-N 2 1 348.491 1.896 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423428328 446532611 /nfs/dbraw/zinc/53/26/11/446532611.db2.gz GMEQNUPRGCWALY-CVEARBPZSA-N 2 1 347.507 1.834 20 0 EDADMP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000433181280 446544922 /nfs/dbraw/zinc/54/49/22/446544922.db2.gz XMHYCESAKSYIIP-MRXNPFEDSA-N 2 1 346.475 1.634 20 0 EDADMP CC[C@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000418450640 446547330 /nfs/dbraw/zinc/54/73/30/446547330.db2.gz LVJUDDHFJNFFDR-DLBZAZTESA-N 2 1 334.464 1.439 20 0 EDADMP COc1ccc(OCC[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420371338 446548954 /nfs/dbraw/zinc/54/89/54/446548954.db2.gz DDQRLNZHGFBUDU-HNNXBMFYSA-N 2 1 331.420 1.461 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000418453027 446549337 /nfs/dbraw/zinc/54/93/37/446549337.db2.gz YIZGLXBRMWLWTM-SJORKVTESA-N 2 1 339.528 1.315 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420371527 446551383 /nfs/dbraw/zinc/55/13/83/446551383.db2.gz XBEKNDTXSUARRM-OAGGEKHMSA-N 2 1 325.497 1.676 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000420371637 446551868 /nfs/dbraw/zinc/55/18/68/446551868.db2.gz KRNKKHGWUOBVDE-HOTGVXAUSA-N 2 1 327.419 1.190 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000420371637 446551876 /nfs/dbraw/zinc/55/18/76/446551876.db2.gz KRNKKHGWUOBVDE-HOTGVXAUSA-N 2 1 327.419 1.190 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)CCC2 ZINC000423501573 446557032 /nfs/dbraw/zinc/55/70/32/446557032.db2.gz LGHBUQZWTNXBPH-SJORKVTESA-N 2 1 337.489 1.819 20 0 EDADMP C[C@H]1C[C@H](C)CN(C(=O)C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000420393792 446568865 /nfs/dbraw/zinc/56/88/65/446568865.db2.gz YPPGILJXHLFEFC-NXOAAHMSSA-N 2 1 335.492 1.191 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCO1 ZINC000423544279 446569257 /nfs/dbraw/zinc/56/92/57/446569257.db2.gz WMSVNAUUPOFMDA-DOTOQJQBSA-N 2 1 346.475 1.679 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420404228 446576471 /nfs/dbraw/zinc/57/64/71/446576471.db2.gz LZGVQJYJCYVMPP-KURKYZTESA-N 2 1 344.503 1.640 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420404228 446576484 /nfs/dbraw/zinc/57/64/84/446576484.db2.gz LZGVQJYJCYVMPP-KURKYZTESA-N 2 1 344.503 1.640 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)C[C@@H]1CC ZINC000367747571 446585047 /nfs/dbraw/zinc/58/50/47/446585047.db2.gz UPLNZKCXEPVQQA-CABCVRRESA-N 2 1 349.479 1.409 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000371041165 446592580 /nfs/dbraw/zinc/59/25/80/446592580.db2.gz DIGKEVZYIYKCQW-KRWDZBQOSA-N 2 1 340.512 1.328 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000418587122 446603767 /nfs/dbraw/zinc/60/37/67/446603767.db2.gz GFVRNMSTJARJNO-GDBMZVCRSA-N 2 1 336.505 1.616 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000411664728 446638402 /nfs/dbraw/zinc/63/84/02/446638402.db2.gz FGHCXFBAGIEHTI-OAHLLOKOSA-N 2 1 346.475 1.535 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418691153 446649394 /nfs/dbraw/zinc/64/93/94/446649394.db2.gz QHMFVUWDDNCVMR-PVAVHDDUSA-N 2 1 334.464 1.048 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1CCOC ZINC000418720756 446654600 /nfs/dbraw/zinc/65/46/00/446654600.db2.gz LWQSNKDQXISREW-BRWVUGGUSA-N 2 1 340.512 1.646 20 0 EDADMP CCN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418754164 446672637 /nfs/dbraw/zinc/67/26/37/446672637.db2.gz ASRRJKSXCHXRHY-ROUUACIJSA-N 2 1 346.475 1.281 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000411634844 446629405 /nfs/dbraw/zinc/62/94/05/446629405.db2.gz VFZSWTDFJHPZJQ-UHFFFAOYSA-N 3 1 349.523 1.758 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000411634844 446629410 /nfs/dbraw/zinc/62/94/10/446629410.db2.gz VFZSWTDFJHPZJQ-UHFFFAOYSA-N 3 1 349.523 1.758 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCC[NH+](CC(C)(C)O)CC2)C[N@H+]1C1CC1 ZINC000375277863 446688649 /nfs/dbraw/zinc/68/86/49/446688649.db2.gz YOJPDPBGIFCFMR-GJZGRUSLSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)C[NH+]1C1CC1 ZINC000375277863 446688653 /nfs/dbraw/zinc/68/86/53/446688653.db2.gz YOJPDPBGIFCFMR-GJZGRUSLSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)C[NH+]1C1CC1 ZINC000375277863 446688660 /nfs/dbraw/zinc/68/86/60/446688660.db2.gz YOJPDPBGIFCFMR-GJZGRUSLSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)[N@H+]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)[C@@H](C)C1 ZINC000368188838 446695500 /nfs/dbraw/zinc/69/55/00/446695500.db2.gz FKZLUAHLIAIJLO-VVLHAWIVSA-N 2 1 338.496 1.220 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)[C@@H](C)C1 ZINC000368188838 446695502 /nfs/dbraw/zinc/69/55/02/446695502.db2.gz FKZLUAHLIAIJLO-VVLHAWIVSA-N 2 1 338.496 1.220 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)C(C)C ZINC000420668378 446736366 /nfs/dbraw/zinc/73/63/66/446736366.db2.gz JXHCZPXVCPBMOC-MRXNPFEDSA-N 2 1 340.512 1.163 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000423749944 446680423 /nfs/dbraw/zinc/68/04/23/446680423.db2.gz WOSMBWFBVUSAFU-RCCFBDPRSA-N 2 1 336.524 1.523 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423958679 446797991 /nfs/dbraw/zinc/79/79/91/446797991.db2.gz QONWAYAAUOHHNQ-INIZCTEOSA-N 2 1 336.505 1.630 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000424002432 446817862 /nfs/dbraw/zinc/81/78/62/446817862.db2.gz QGHWPTBLBKFTFS-SIRPWMCASA-N 2 1 325.497 1.564 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000424002432 446817866 /nfs/dbraw/zinc/81/78/66/446817866.db2.gz QGHWPTBLBKFTFS-SIRPWMCASA-N 2 1 325.497 1.564 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000368432056 446860413 /nfs/dbraw/zinc/86/04/13/446860413.db2.gz IBJSZYSVPCMWPJ-UHFFFAOYSA-N 2 1 347.507 1.480 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419020940 446870782 /nfs/dbraw/zinc/87/07/82/446870782.db2.gz GLNPZYLTBJHHHZ-VYDXJSESSA-N 2 1 346.475 1.039 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419029287 446874431 /nfs/dbraw/zinc/87/44/31/446874431.db2.gz RLUFQZLSAOMTHE-CABCVRRESA-N 2 1 338.496 1.001 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420896041 446874518 /nfs/dbraw/zinc/87/45/18/446874518.db2.gz UXIUNTXJKIPEAW-QQFBHYJXSA-N 2 1 340.512 1.346 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000424456558 446875945 /nfs/dbraw/zinc/87/59/45/446875945.db2.gz POZQYBJNMXBBDJ-QGZVFWFLSA-N 2 1 346.475 1.629 20 0 EDADMP C[C@H]1CCC[N@H+]1C1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000377051436 446886653 /nfs/dbraw/zinc/88/66/53/446886653.db2.gz IWMBCERLRSPIQP-HNNXBMFYSA-N 2 1 331.464 1.766 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000442533979 446904293 /nfs/dbraw/zinc/90/42/93/446904293.db2.gz WRQMTXCSGJCVRZ-CPUCHLNUSA-N 2 1 339.505 1.755 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000442533979 446904296 /nfs/dbraw/zinc/90/42/96/446904296.db2.gz WRQMTXCSGJCVRZ-CPUCHLNUSA-N 2 1 339.505 1.755 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)CC1 ZINC000377113803 446928765 /nfs/dbraw/zinc/92/87/65/446928765.db2.gz KXOBAMMXUUMFQI-MSOLQXFVSA-N 2 1 337.508 1.473 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)CC1 ZINC000377113803 446928771 /nfs/dbraw/zinc/92/87/71/446928771.db2.gz KXOBAMMXUUMFQI-MSOLQXFVSA-N 2 1 337.508 1.473 20 0 EDADMP C[C@@H]1CN(Cc2cccc(CN3CCOCC3)c2)[C@@H](C)C[N@H+]1CCO ZINC000420960386 446930372 /nfs/dbraw/zinc/93/03/72/446930372.db2.gz GTXVYZAKYFQHPJ-MSOLQXFVSA-N 2 1 347.503 1.406 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)C(=O)NCC(C)C)CC2)CC1 ZINC000420979302 446952554 /nfs/dbraw/zinc/95/25/54/446952554.db2.gz KJBCKHREYJGPCK-KRWDZBQOSA-N 2 1 338.540 1.639 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)C(=O)NCC(C)C)CC2)CC1 ZINC000420979302 446952559 /nfs/dbraw/zinc/95/25/59/446952559.db2.gz KJBCKHREYJGPCK-KRWDZBQOSA-N 2 1 338.540 1.639 20 0 EDADMP OC[C@@H]1C[N@@H+](Cc2ccc(CN3CCOCC3)cc2)CCC1(F)F ZINC000420977853 446952825 /nfs/dbraw/zinc/95/28/25/446952825.db2.gz SOEAJWVUZMWIQD-KRWDZBQOSA-N 2 1 340.414 1.968 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC([NH2+]C3CCCC3)CC2)C1 ZINC000372115520 447009957 /nfs/dbraw/zinc/00/99/57/447009957.db2.gz HSTSBHINRUFJPS-QGZVFWFLSA-N 2 1 338.496 1.413 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419161491 446977376 /nfs/dbraw/zinc/97/73/76/446977376.db2.gz JDUSZVHMEVGMEE-WBVHZDCISA-N 2 1 348.491 1.113 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000372004368 446982284 /nfs/dbraw/zinc/98/22/84/446982284.db2.gz PUWNYHPOUJCDGL-YESZJQIVSA-N 2 1 340.512 1.659 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000372004368 446982288 /nfs/dbraw/zinc/98/22/88/446982288.db2.gz PUWNYHPOUJCDGL-YESZJQIVSA-N 2 1 340.512 1.659 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1OCC(N)=O ZINC000368615245 446982663 /nfs/dbraw/zinc/98/26/63/446982663.db2.gz POCQTFIFMLFDHG-ARFHVFGLSA-N 2 1 347.459 1.522 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000377194330 446983729 /nfs/dbraw/zinc/98/37/29/446983729.db2.gz AELSRYCWRZNWRN-VDZJLULYSA-N 2 1 344.503 1.607 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000377194330 446983735 /nfs/dbraw/zinc/98/37/35/446983735.db2.gz AELSRYCWRZNWRN-VDZJLULYSA-N 2 1 344.503 1.607 20 0 EDADMP COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443059589 447001393 /nfs/dbraw/zinc/00/13/93/447001393.db2.gz NENVVAGZVAURQU-HUUCEWRRSA-N 2 1 349.475 1.769 20 0 EDADMP CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443063094 447002013 /nfs/dbraw/zinc/00/20/13/447002013.db2.gz VUKLJHYMRWUTIE-OAHLLOKOSA-N 2 1 346.475 1.365 20 0 EDADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C[NH2+]CC2CC2)CC1 ZINC000372107079 447005109 /nfs/dbraw/zinc/00/51/09/447005109.db2.gz GBXNKEVULWRUMK-UHFFFAOYSA-N 2 1 344.459 1.402 20 0 EDADMP CC[C@@H](C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1)OC ZINC000419260736 447040013 /nfs/dbraw/zinc/04/00/13/447040013.db2.gz RMUWSRSOQGYYOV-KKUMJFAQSA-N 2 1 339.459 1.816 20 0 EDADMP CC[C@@H](C[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1)OC ZINC000419260736 447040023 /nfs/dbraw/zinc/04/00/23/447040023.db2.gz RMUWSRSOQGYYOV-KKUMJFAQSA-N 2 1 339.459 1.816 20 0 EDADMP NC(=O)NC(=O)CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000368691749 447041040 /nfs/dbraw/zinc/04/10/40/447041040.db2.gz ISFCBZCWVAKFDO-IRXDYDNUSA-N 2 1 344.459 1.415 20 0 EDADMP NC(=O)NC(=O)CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368691749 447041042 /nfs/dbraw/zinc/04/10/42/447041042.db2.gz ISFCBZCWVAKFDO-IRXDYDNUSA-N 2 1 344.459 1.415 20 0 EDADMP NC(=O)NC(=O)CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368691749 447041045 /nfs/dbraw/zinc/04/10/45/447041045.db2.gz ISFCBZCWVAKFDO-IRXDYDNUSA-N 2 1 344.459 1.415 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000413174532 447049845 /nfs/dbraw/zinc/04/98/45/447049845.db2.gz QFSDUKRSQSLJPU-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000413174532 447049849 /nfs/dbraw/zinc/04/98/49/447049849.db2.gz QFSDUKRSQSLJPU-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000413174532 447049853 /nfs/dbraw/zinc/04/98/53/447049853.db2.gz QFSDUKRSQSLJPU-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000413174532 447049857 /nfs/dbraw/zinc/04/98/57/447049857.db2.gz QFSDUKRSQSLJPU-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000444393314 447101425 /nfs/dbraw/zinc/10/14/25/447101425.db2.gz QDMPZJKREVKUGS-SJORKVTESA-N 2 1 347.503 1.811 20 0 EDADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000444393314 447101431 /nfs/dbraw/zinc/10/14/31/447101431.db2.gz QDMPZJKREVKUGS-SJORKVTESA-N 2 1 347.503 1.811 20 0 EDADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000444393314 447101438 /nfs/dbraw/zinc/10/14/38/447101438.db2.gz QDMPZJKREVKUGS-SJORKVTESA-N 2 1 347.503 1.811 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000419410101 447159044 /nfs/dbraw/zinc/15/90/44/447159044.db2.gz AIDYOWGNVKRCNO-NCOADZHNSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419410101 447159048 /nfs/dbraw/zinc/15/90/48/447159048.db2.gz AIDYOWGNVKRCNO-NCOADZHNSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000419410101 447159052 /nfs/dbraw/zinc/15/90/52/447159052.db2.gz AIDYOWGNVKRCNO-NCOADZHNSA-N 2 1 340.512 1.203 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000419481471 447213359 /nfs/dbraw/zinc/21/33/59/447213359.db2.gz PAPBRIVJIPFLKG-HNNXBMFYSA-N 2 1 340.512 1.391 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000455643342 447194723 /nfs/dbraw/zinc/19/47/23/447194723.db2.gz AEWLXOJYRGOJAA-HNNXBMFYSA-N 2 1 336.484 1.544 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455673987 447207509 /nfs/dbraw/zinc/20/75/09/447207509.db2.gz YYGKQJDTPDPXNG-HNNXBMFYSA-N 2 1 336.484 1.831 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000377621949 447249861 /nfs/dbraw/zinc/24/98/61/447249861.db2.gz HKSIRPRLUSHZLF-MRXNPFEDSA-N 2 1 331.460 1.875 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000368990097 447250484 /nfs/dbraw/zinc/25/04/84/447250484.db2.gz DWYNQJABDWPVGT-SJORKVTESA-N 2 1 349.479 1.382 20 0 EDADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C1CCOCC1 ZINC000372682243 447222645 /nfs/dbraw/zinc/22/26/45/447222645.db2.gz MGCFEEOAWZYTNN-LULLPPNCSA-N 2 1 340.508 1.907 20 0 EDADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C1CCOCC1 ZINC000372682243 447222651 /nfs/dbraw/zinc/22/26/51/447222651.db2.gz MGCFEEOAWZYTNN-LULLPPNCSA-N 2 1 340.508 1.907 20 0 EDADMP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)n2)CC1 ZINC000376041139 447229208 /nfs/dbraw/zinc/22/92/08/447229208.db2.gz FIUXXKIFNNZVOW-GOEBONIOSA-N 2 1 346.479 1.708 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000419527078 447242387 /nfs/dbraw/zinc/24/23/87/447242387.db2.gz UUVOFCVLBQQFNB-IAGOWNOFSA-N 2 1 340.512 1.349 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](C2CCCC2)CC1 ZINC000369046195 447284387 /nfs/dbraw/zinc/28/43/87/447284387.db2.gz DFMKNXHCMDOGSP-SJORKVTESA-N 2 1 336.480 1.119 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000369018586 447266923 /nfs/dbraw/zinc/26/69/23/447266923.db2.gz YLAKUFPEAVHVTE-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP COC[C@@]1(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000388488628 447479179 /nfs/dbraw/zinc/47/91/79/447479179.db2.gz LUHDKSUETPILQT-AZUAARDMSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000389904125 447488719 /nfs/dbraw/zinc/48/87/19/447488719.db2.gz FYRJPYIIOPAUMX-UKRRQHHQSA-N 2 1 344.484 1.895 20 0 EDADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NCC[NH+]2CCCOCC2)C[C@@H](C)C1 ZINC000458840056 447488932 /nfs/dbraw/zinc/48/89/32/447488932.db2.gz JIBNBVINCULDHR-YESZJQIVSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C[C@@H](C)C1 ZINC000458840056 447488939 /nfs/dbraw/zinc/48/89/39/447488939.db2.gz JIBNBVINCULDHR-YESZJQIVSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NCC[N@H+]2CCCOCC2)C[C@@H](C)C1 ZINC000458840056 447488941 /nfs/dbraw/zinc/48/89/41/447488941.db2.gz JIBNBVINCULDHR-YESZJQIVSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(C[NH3+])CCOCC1 ZINC000389931446 447489041 /nfs/dbraw/zinc/48/90/41/447489041.db2.gz LFBIIYRXYVYUBU-RDJZCZTQSA-N 2 1 331.460 1.379 20 0 EDADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCC[NH+]2CCCOCC2)C[C@@H](C)C1 ZINC000458840054 447489285 /nfs/dbraw/zinc/48/92/85/447489285.db2.gz JIBNBVINCULDHR-ULQDDVLXSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C[C@@H](C)C1 ZINC000458840054 447489291 /nfs/dbraw/zinc/48/92/91/447489291.db2.gz JIBNBVINCULDHR-ULQDDVLXSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NCC[N@H+]2CCCOCC2)C[C@@H](C)C1 ZINC000458840054 447489294 /nfs/dbraw/zinc/48/92/94/447489294.db2.gz JIBNBVINCULDHR-ULQDDVLXSA-N 2 1 338.496 1.080 20 0 EDADMP COCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000390006663 447490232 /nfs/dbraw/zinc/49/02/32/447490232.db2.gz XAAXCNXMXKQFPV-SJLPKXTDSA-N 2 1 345.487 1.639 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000426801587 447503466 /nfs/dbraw/zinc/50/34/66/447503466.db2.gz UZVSAUGAFVXWEG-KRWDZBQOSA-N 2 1 346.519 1.893 20 0 EDADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)c1)C1CC1 ZINC000415540588 447504288 /nfs/dbraw/zinc/50/42/88/447504288.db2.gz OLZLJYXRICDTKL-KRWDZBQOSA-N 2 1 344.459 1.115 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390906473 447506396 /nfs/dbraw/zinc/50/63/96/447506396.db2.gz SCWXMADHZYPSPH-SZMVWBNQSA-N 2 1 331.460 1.392 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000450612298 447537863 /nfs/dbraw/zinc/53/78/63/447537863.db2.gz KCAXYKLEJLYRKE-UHFFFAOYSA-N 2 1 333.480 1.614 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000396430817 447544533 /nfs/dbraw/zinc/54/45/33/447544533.db2.gz UWQIOWWBDZYJLG-WBVHZDCISA-N 2 1 333.501 1.814 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000396430817 447544540 /nfs/dbraw/zinc/54/45/40/447544540.db2.gz UWQIOWWBDZYJLG-WBVHZDCISA-N 2 1 333.501 1.814 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+](C)C ZINC000459041500 447550931 /nfs/dbraw/zinc/55/09/31/447550931.db2.gz NPAQBJCHEGEAET-ZJIFWQFVSA-N 2 1 326.485 1.220 20 0 EDADMP CC1(C)CC(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC(C)(C)[NH2+]1 ZINC000457398147 447572120 /nfs/dbraw/zinc/57/21/20/447572120.db2.gz WLVZBYBXIMBXSV-AWEZNQCLSA-N 2 1 340.512 1.442 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495908444 447635580 /nfs/dbraw/zinc/63/55/80/447635580.db2.gz BOOAEJSDLFMMQW-MAUKXSAKSA-N 2 1 336.480 1.134 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@H]1COCC1(C)C ZINC000459181303 447606426 /nfs/dbraw/zinc/60/64/26/447606426.db2.gz GZMZLLIJYRWZMW-HNNXBMFYSA-N 2 1 326.485 1.079 20 0 EDADMP O=C(NCCC[NH2+]C1CC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416889654 447703009 /nfs/dbraw/zinc/70/30/09/447703009.db2.gz VPVBXFKXHAQGHY-UHFFFAOYSA-N 2 1 346.475 1.460 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C[NH3+] ZINC000422634403 447680517 /nfs/dbraw/zinc/68/05/17/447680517.db2.gz JOKLVJDGTVIWLL-UMVBOHGHSA-N 2 1 332.448 1.419 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)C[NH+]1CCCCC1 ZINC000457958591 447684568 /nfs/dbraw/zinc/68/45/68/447684568.db2.gz ZKNHOGJEHFTJFJ-IRXDYDNUSA-N 2 1 340.512 1.254 20 0 EDADMP CC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000451258193 447715421 /nfs/dbraw/zinc/71/54/21/447715421.db2.gz FEHWFTRKQUXLID-GOSISDBHSA-N 2 1 336.524 1.537 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[NH+]1CCOCC1 ZINC000416938611 447715420 /nfs/dbraw/zinc/71/54/20/447715420.db2.gz LGRPKRBCELQION-ARFHVFGLSA-N 2 1 326.485 1.112 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000416945270 447720981 /nfs/dbraw/zinc/72/09/81/447720981.db2.gz FEAXHDBCCGGRTL-VYDXJSESSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422720604 447727398 /nfs/dbraw/zinc/72/73/98/447727398.db2.gz SUKCFLMPBKBPGZ-IRXDYDNUSA-N 2 1 332.496 1.109 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422720332 447728125 /nfs/dbraw/zinc/72/81/25/447728125.db2.gz SIJWZNWUHSLHAK-IRXDYDNUSA-N 2 1 332.496 1.096 20 0 EDADMP C[NH+](C)C1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCOCC1 ZINC000422727604 447730591 /nfs/dbraw/zinc/73/05/91/447730591.db2.gz HNXPQIMLDLCNFK-YLJYHZDGSA-N 2 1 345.487 1.943 20 0 EDADMP CC[C@H](CNC(=O)N1CC[C@H]([NH2+]C)C1)[N@H+]1CCc2ccccc2C1 ZINC000417020094 447731187 /nfs/dbraw/zinc/73/11/87/447731187.db2.gz RPIQUKROHQWWBU-ZWKOTPCHSA-N 2 1 330.476 1.827 20 0 EDADMP CC[C@@H](CNC(=O)NC[C@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000417022655 447731231 /nfs/dbraw/zinc/73/12/31/447731231.db2.gz VLJCPAPXXSALQF-YJBOKZPZSA-N 2 1 330.476 1.732 20 0 EDADMP Cc1ccc(NCCCNC(=O)NCC2([NH3+])CCCCCC2)[nH+]c1 ZINC000417072905 447733607 /nfs/dbraw/zinc/73/36/07/447733607.db2.gz XSTWEHLDXOFGLW-UHFFFAOYSA-N 2 1 333.480 2.543 20 0 EDADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417251276 447737373 /nfs/dbraw/zinc/73/73/73/447737373.db2.gz HKEUQLJPVDXNBW-QSJFSLAZSA-N 2 1 328.476 1.696 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417251276 447737377 /nfs/dbraw/zinc/73/73/77/447737377.db2.gz HKEUQLJPVDXNBW-QSJFSLAZSA-N 2 1 328.476 1.696 20 0 EDADMP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000422761106 447742580 /nfs/dbraw/zinc/74/25/80/447742580.db2.gz MNLDRICNRADJDH-RDJZCZTQSA-N 2 1 332.448 1.242 20 0 EDADMP C[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[N@H+](C2CCC2)C1 ZINC000429364379 447743826 /nfs/dbraw/zinc/74/38/26/447743826.db2.gz SDTCKGVSWUTYSK-INIZCTEOSA-N 2 1 348.535 1.536 20 0 EDADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000458218824 447747092 /nfs/dbraw/zinc/74/70/92/447747092.db2.gz HQUUKKBLXJNHKT-INIZCTEOSA-N 2 1 336.505 1.028 20 0 EDADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422824984 447761193 /nfs/dbraw/zinc/76/11/93/447761193.db2.gz OUIFWBHKETXGAJ-GBESFXJTSA-N 3 1 347.503 1.874 20 0 EDADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458335354 447771193 /nfs/dbraw/zinc/77/11/93/447771193.db2.gz DKQUGDNNVYQWFC-ZACQAIPSSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000430550159 447776083 /nfs/dbraw/zinc/77/60/83/447776083.db2.gz JQLSHTCLNDTCKU-ZVZYQTTQSA-N 2 1 349.450 1.785 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000430550159 447776084 /nfs/dbraw/zinc/77/60/84/447776084.db2.gz JQLSHTCLNDTCKU-ZVZYQTTQSA-N 2 1 349.450 1.785 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430565413 447780514 /nfs/dbraw/zinc/78/05/14/447780514.db2.gz FVTAONZOWQQMET-JKSUJKDBSA-N 2 1 348.466 1.534 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430565413 447780516 /nfs/dbraw/zinc/78/05/16/447780516.db2.gz FVTAONZOWQQMET-JKSUJKDBSA-N 2 1 348.466 1.534 20 0 EDADMP O[C@H](C[NH+]1CCC[C@@]2(CCOC2)C1)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451913368 447781773 /nfs/dbraw/zinc/78/17/73/447781773.db2.gz WLMJTDBKHMZNOG-LDLYASANSA-N 2 1 338.492 1.352 20 0 EDADMP O[C@@H](C[NH+]1CCC[C@]2(CCOC2)C1)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451913368 447781779 /nfs/dbraw/zinc/78/17/79/447781779.db2.gz WLMJTDBKHMZNOG-LDLYASANSA-N 2 1 338.492 1.352 20 0 EDADMP O[C@@H](C[NH+]1CCC[C@]2(CCOC2)C1)C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451913368 447781784 /nfs/dbraw/zinc/78/17/84/447781784.db2.gz WLMJTDBKHMZNOG-LDLYASANSA-N 2 1 338.492 1.352 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](CC)[NH+]2CCCC2)CC[NH2+]CC1 ZINC000422962860 447782425 /nfs/dbraw/zinc/78/24/25/447782425.db2.gz GVKBYRTVIYERAV-CVEARBPZSA-N 3 1 325.497 1.772 20 0 EDADMP O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C[N@H+]1CCc2ccccc2C1 ZINC000422969597 447784049 /nfs/dbraw/zinc/78/40/49/447784049.db2.gz USRFNTDCVPGUQN-MXEMCNAFSA-N 2 1 343.515 1.916 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CN1CCc2ccccc2C1 ZINC000422969597 447784052 /nfs/dbraw/zinc/78/40/52/447784052.db2.gz USRFNTDCVPGUQN-MXEMCNAFSA-N 2 1 343.515 1.916 20 0 EDADMP C[C@H]1C[NH+](CCCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000469699550 447803091 /nfs/dbraw/zinc/80/30/91/447803091.db2.gz GEUOSYFTESVHFO-QAETUUGQSA-N 2 1 325.497 1.722 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000471653061 447807571 /nfs/dbraw/zinc/80/75/71/447807571.db2.gz IPKCZZMVIFTLLD-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496641282 447839225 /nfs/dbraw/zinc/83/92/25/447839225.db2.gz FHRYKYSZCJXGJA-QAPCUYQASA-N 2 1 343.512 1.830 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000489527109 447862166 /nfs/dbraw/zinc/86/21/66/447862166.db2.gz GNSYIYDIWQVNKO-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP C[C@@H]1C[C@@H](C[NH2+]C[C@]2(O)CC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000496579300 447825644 /nfs/dbraw/zinc/82/56/44/447825644.db2.gz ZPJSQTPUJGKABH-RVKKMQEKSA-N 2 1 341.496 1.678 20 0 EDADMP C[C@@H]1C[C@@H](C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000496579300 447825645 /nfs/dbraw/zinc/82/56/45/447825645.db2.gz ZPJSQTPUJGKABH-RVKKMQEKSA-N 2 1 341.496 1.678 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)C1CC1 ZINC000523613719 447894307 /nfs/dbraw/zinc/89/43/07/447894307.db2.gz XMFXPIZSUHSMLU-QGZVFWFLSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C1CC1 ZINC000523613719 447894313 /nfs/dbraw/zinc/89/43/13/447894313.db2.gz XMFXPIZSUHSMLU-QGZVFWFLSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CC1 ZINC000523613719 447894320 /nfs/dbraw/zinc/89/43/20/447894320.db2.gz XMFXPIZSUHSMLU-QGZVFWFLSA-N 2 1 330.476 1.894 20 0 EDADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000569912717 447915715 /nfs/dbraw/zinc/91/57/15/447915715.db2.gz FIHLQWFWPWIUCL-WBVHZDCISA-N 2 1 337.489 1.583 20 0 EDADMP Cc1cccn2cc(CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)nc12 ZINC000524160261 447917779 /nfs/dbraw/zinc/91/77/79/447917779.db2.gz OVZFJMWXHWUUHV-QGZVFWFLSA-N 2 1 344.459 1.658 20 0 EDADMP Cc1cccn2cc(CC(=O)NC[C@@H]3CN(CC(C)C)CCO3)nc12 ZINC000524160261 447917784 /nfs/dbraw/zinc/91/77/84/447917784.db2.gz OVZFJMWXHWUUHV-QGZVFWFLSA-N 2 1 344.459 1.658 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[NH+](C)C1CC1 ZINC000524351479 447925819 /nfs/dbraw/zinc/92/58/19/447925819.db2.gz DBRNRPZHNRMAAW-WBVHZDCISA-N 2 1 330.476 1.893 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1)[N@H+](C)C1CC1 ZINC000524351479 447925825 /nfs/dbraw/zinc/92/58/25/447925825.db2.gz DBRNRPZHNRMAAW-WBVHZDCISA-N 2 1 330.476 1.893 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1)[N@@H+](C)C1CC1 ZINC000524351479 447925828 /nfs/dbraw/zinc/92/58/28/447925828.db2.gz DBRNRPZHNRMAAW-WBVHZDCISA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccncn3)CC2)CC1 ZINC000576207425 447998645 /nfs/dbraw/zinc/99/86/45/447998645.db2.gz ZSHAHNHYLOYILX-UHFFFAOYSA-N 2 1 345.491 1.645 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000531286268 448053065 /nfs/dbraw/zinc/05/30/65/448053065.db2.gz SWZLRELACWUINA-PKOBYXMFSA-N 2 1 331.460 1.080 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000576516651 448072516 /nfs/dbraw/zinc/07/25/16/448072516.db2.gz NVCVEMOKDLOAJI-SFHVURJKSA-N 2 1 332.492 1.633 20 0 EDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000571053863 448102006 /nfs/dbraw/zinc/10/20/06/448102006.db2.gz ICUKMJOXKITRBF-STQMWFEESA-N 2 1 342.281 1.931 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCOCC(F)F)CC2)CC1 ZINC000576716326 448124926 /nfs/dbraw/zinc/12/49/26/448124926.db2.gz UBXHWVCXDSPGEC-UHFFFAOYSA-N 2 1 347.450 1.581 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CCSC1 ZINC000497026239 448135110 /nfs/dbraw/zinc/13/51/10/448135110.db2.gz DBHLHTIQOFBIRH-OAHLLOKOSA-N 2 1 345.513 1.062 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000515046211 448246627 /nfs/dbraw/zinc/24/66/27/448246627.db2.gz JKGKGTHVHFNFTM-UHFFFAOYSA-N 2 1 346.475 1.907 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000515046211 448246630 /nfs/dbraw/zinc/24/66/30/448246630.db2.gz JKGKGTHVHFNFTM-UHFFFAOYSA-N 2 1 346.475 1.907 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)O1 ZINC000527552091 448273953 /nfs/dbraw/zinc/27/39/53/448273953.db2.gz NSSLEDFBNWXRGZ-RDTXWAMCSA-N 2 1 331.460 1.981 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)O1 ZINC000527552091 448273960 /nfs/dbraw/zinc/27/39/60/448273960.db2.gz NSSLEDFBNWXRGZ-RDTXWAMCSA-N 2 1 331.460 1.981 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)O1 ZINC000527552091 448273967 /nfs/dbraw/zinc/27/39/67/448273967.db2.gz NSSLEDFBNWXRGZ-RDTXWAMCSA-N 2 1 331.460 1.981 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)O1 ZINC000527552091 448273973 /nfs/dbraw/zinc/27/39/73/448273973.db2.gz NSSLEDFBNWXRGZ-RDTXWAMCSA-N 2 1 331.460 1.981 20 0 EDADMP CC(C)C[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000532477372 448265075 /nfs/dbraw/zinc/26/50/75/448265075.db2.gz DMKGDUAMJZCSCO-KRWDZBQOSA-N 2 1 327.513 1.826 20 0 EDADMP CC(C)C[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000532477372 448265083 /nfs/dbraw/zinc/26/50/83/448265083.db2.gz DMKGDUAMJZCSCO-KRWDZBQOSA-N 2 1 327.513 1.826 20 0 EDADMP CC(C)C[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000532477372 448265088 /nfs/dbraw/zinc/26/50/88/448265088.db2.gz DMKGDUAMJZCSCO-KRWDZBQOSA-N 2 1 327.513 1.826 20 0 EDADMP CC[NH2+]CCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000577486603 448309817 /nfs/dbraw/zinc/30/98/17/448309817.db2.gz DCPXKVHPYMWWEQ-MSOLQXFVSA-N 2 1 348.491 1.168 20 0 EDADMP [NH3+]C1CCN(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000577487029 448309840 /nfs/dbraw/zinc/30/98/40/448309840.db2.gz WWBKPCONQDKIDG-KRWDZBQOSA-N 2 1 348.516 1.737 20 0 EDADMP [NH3+]C1CCN(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000577487029 448309844 /nfs/dbraw/zinc/30/98/44/448309844.db2.gz WWBKPCONQDKIDG-KRWDZBQOSA-N 2 1 348.516 1.737 20 0 EDADMP CC[NH2+]CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000577486608 448310479 /nfs/dbraw/zinc/31/04/79/448310479.db2.gz DCPXKVHPYMWWEQ-ZWKOTPCHSA-N 2 1 348.491 1.168 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000515523235 448326251 /nfs/dbraw/zinc/32/62/51/448326251.db2.gz LUDZKUFCXRWKLV-QAETUUGQSA-N 2 1 338.496 1.447 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000515523269 448326550 /nfs/dbraw/zinc/32/65/50/448326550.db2.gz WDTYOFQWKGMXKE-KRWDZBQOSA-N 2 1 346.475 1.665 20 0 EDADMP C[NH+](C)C1(CNC(=O)C[N@H+]2CCC(C)(C)C2)Cc2ccccc2C1 ZINC000515354776 448296917 /nfs/dbraw/zinc/29/69/17/448296917.db2.gz IVJVHUJAIVFHDY-UHFFFAOYSA-N 2 1 329.488 1.934 20 0 EDADMP Cc1[nH+]ccn1CCC[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000572149178 448302678 /nfs/dbraw/zinc/30/26/78/448302678.db2.gz YNJUIIYWJBHBCR-UHFFFAOYSA-N 2 1 325.409 1.784 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N[C@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000591442044 448364610 /nfs/dbraw/zinc/36/46/10/448364610.db2.gz FUOWOHBROAWCGS-ZWKOTPCHSA-N 2 1 330.476 1.186 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000591442044 448364615 /nfs/dbraw/zinc/36/46/15/448364615.db2.gz FUOWOHBROAWCGS-ZWKOTPCHSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@H]([NH2+][C@H]1CCc2nnnn2CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572391246 448365723 /nfs/dbraw/zinc/36/57/23/448365723.db2.gz XVFWPTMUBPNWST-JQHSSLGASA-N 2 1 340.475 1.878 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCCC[C@H]3[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000572285700 448336997 /nfs/dbraw/zinc/33/69/97/448336997.db2.gz ASKLNQFTCRRGMN-MSOLQXFVSA-N 2 1 344.507 1.335 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000533294771 448383226 /nfs/dbraw/zinc/38/32/26/448383226.db2.gz DTEPHQUNCKVGKM-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000533294771 448383230 /nfs/dbraw/zinc/38/32/30/448383230.db2.gz DTEPHQUNCKVGKM-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+](CCNC(=O)NC[C@H]1CCC[N@H+](C)C1)CCC(F)(F)F ZINC000516231346 448400989 /nfs/dbraw/zinc/40/09/89/448400989.db2.gz DJOLEUUEXAOSLO-CYBMUJFWSA-N 2 1 338.418 1.902 20 0 EDADMP CC[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](C)C1)CCC(F)(F)F ZINC000516231346 448400994 /nfs/dbraw/zinc/40/09/94/448400994.db2.gz DJOLEUUEXAOSLO-CYBMUJFWSA-N 2 1 338.418 1.902 20 0 EDADMP C[C@@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000572585289 448414361 /nfs/dbraw/zinc/41/43/61/448414361.db2.gz JDXLMCRTMPAOCL-UZLBHIALSA-N 2 1 347.503 1.716 20 0 EDADMP CCOC(=O)C1CCC(O)(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000582900099 448373345 /nfs/dbraw/zinc/37/33/45/448373345.db2.gz CNYAERJKEQGPIR-KLHKWILBSA-N 2 1 326.481 1.792 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C(N)=O)CCOCC2)C[C@H]1c1ccccc1 ZINC000578137489 448470217 /nfs/dbraw/zinc/47/02/17/448470217.db2.gz JZDHEWWYRTVYIZ-IRXDYDNUSA-N 2 1 331.460 1.694 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC2(C(N)=O)CCOCC2)C[C@H]1c1ccccc1 ZINC000578137489 448470220 /nfs/dbraw/zinc/47/02/20/448470220.db2.gz JZDHEWWYRTVYIZ-IRXDYDNUSA-N 2 1 331.460 1.694 20 0 EDADMP COC(=O)c1cn([C@@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)nn1 ZINC000578139854 448470472 /nfs/dbraw/zinc/47/04/72/448470472.db2.gz GFZDRBHGUUKBBS-CQSZACIVSA-N 2 1 332.408 1.068 20 0 EDADMP COC(=O)c1cn([C@@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)nn1 ZINC000578139854 448470478 /nfs/dbraw/zinc/47/04/78/448470478.db2.gz GFZDRBHGUUKBBS-CQSZACIVSA-N 2 1 332.408 1.068 20 0 EDADMP COc1ccccc1[C@@H](CO)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000572750595 448455658 /nfs/dbraw/zinc/45/56/58/448455658.db2.gz FBRCYJFHDTYKGP-QGZVFWFLSA-N 2 1 347.459 1.061 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)[C@H]1c1ccccc1 ZINC000516749718 448467544 /nfs/dbraw/zinc/46/75/44/448467544.db2.gz MAYJLHXQOCRWBH-YESZJQIVSA-N 2 1 332.448 1.110 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000573242994 448578900 /nfs/dbraw/zinc/57/89/00/448578900.db2.gz QFZQBVRXCRDAKN-MAUKXSAKSA-N 2 1 331.460 1.728 20 0 EDADMP C[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000517225418 448556734 /nfs/dbraw/zinc/55/67/34/448556734.db2.gz XMNNDCWZSUYFLZ-HZPDHXFCSA-N 2 1 340.512 1.374 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000566922594 448587081 /nfs/dbraw/zinc/58/70/81/448587081.db2.gz TYEVIVLDVXXSLJ-INIZCTEOSA-N 2 1 349.475 1.658 20 0 EDADMP CCN(C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000566922594 448587085 /nfs/dbraw/zinc/58/70/85/448587085.db2.gz TYEVIVLDVXXSLJ-INIZCTEOSA-N 2 1 349.475 1.658 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000573600809 448668698 /nfs/dbraw/zinc/66/86/98/448668698.db2.gz CIXZBSGITDUHRS-GOSISDBHSA-N 2 1 346.519 1.856 20 0 EDADMP C[C@H](CNC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000518518011 448688048 /nfs/dbraw/zinc/68/80/48/448688048.db2.gz WCFOPGAEFRAKJA-OWSLCNJRSA-N 2 1 327.513 1.168 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000573820719 448723407 /nfs/dbraw/zinc/72/34/07/448723407.db2.gz HHICRIZLZUZFFW-FZCLSBEQSA-N 2 1 330.476 1.947 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000573820715 448723059 /nfs/dbraw/zinc/72/30/59/448723059.db2.gz HHICRIZLZUZFFW-AHCXZYCDSA-N 2 1 330.476 1.947 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000542787002 448719368 /nfs/dbraw/zinc/71/93/68/448719368.db2.gz UIPWDXFAWVCTIH-KRWDZBQOSA-N 2 1 334.464 1.381 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)C2([NH3+])CCC2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000567382469 448682005 /nfs/dbraw/zinc/68/20/05/448682005.db2.gz GNRDTJZYKIJYON-MRXNPFEDSA-N 2 1 344.459 1.673 20 0 EDADMP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000579211938 448740339 /nfs/dbraw/zinc/74/03/39/448740339.db2.gz BPMFTVBQLMYXKV-DLBZAZTESA-N 2 1 342.443 1.014 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1cnn(C)c1 ZINC000573962806 448758806 /nfs/dbraw/zinc/75/88/06/448758806.db2.gz PCLZQQYGZSZEJK-CVEARBPZSA-N 2 1 349.866 1.753 20 0 EDADMP Cn1ccnc1C[N@@H+](C[C@@H]1CCCC[C@H]1O)[C@H]1CC12CC[NH2+]CC2 ZINC000579483664 448807372 /nfs/dbraw/zinc/80/73/72/448807372.db2.gz ZTXZGKXGMMDNQK-BBWFWOEESA-N 2 1 332.492 1.915 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529295711 448811505 /nfs/dbraw/zinc/81/15/05/448811505.db2.gz AFSCTCDTNJQLHV-PVAVHDDUSA-N 2 1 332.448 1.110 20 0 EDADMP C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000579593349 448831034 /nfs/dbraw/zinc/83/10/34/448831034.db2.gz DMCMYZBJYGKGTN-UXPWSPDFSA-N 2 1 328.456 1.800 20 0 EDADMP C[NH+]1CCCN(Cc2ccccc2CN2CCC[N@H+](C)CC2)CC1 ZINC000579684350 448850444 /nfs/dbraw/zinc/85/04/44/448850444.db2.gz ITDZNVRVVSTGKG-UHFFFAOYSA-N 2 1 330.520 1.962 20 0 EDADMP CN1CCC[N@H+](Cc2ccccc2CN2CCC[NH+](C)CC2)CC1 ZINC000579684350 448850454 /nfs/dbraw/zinc/85/04/54/448850454.db2.gz ITDZNVRVVSTGKG-UHFFFAOYSA-N 2 1 330.520 1.962 20 0 EDADMP CN1CCC[N@@H+](Cc2ccccc2CN2CCC[NH+](C)CC2)CC1 ZINC000579684350 448850459 /nfs/dbraw/zinc/85/04/59/448850459.db2.gz ITDZNVRVVSTGKG-UHFFFAOYSA-N 2 1 330.520 1.962 20 0 EDADMP CN1CCC[NH+](Cc2ccccc2CN2CCC[N@H+](C)CC2)CC1 ZINC000579684350 448850465 /nfs/dbraw/zinc/85/04/65/448850465.db2.gz ITDZNVRVVSTGKG-UHFFFAOYSA-N 2 1 330.520 1.962 20 0 EDADMP CN1CCC[NH+](Cc2ccccc2CN2CCC[N@@H+](C)CC2)CC1 ZINC000579684350 448850473 /nfs/dbraw/zinc/85/04/73/448850473.db2.gz ITDZNVRVVSTGKG-UHFFFAOYSA-N 2 1 330.520 1.962 20 0 EDADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492900 448862013 /nfs/dbraw/zinc/86/20/13/448862013.db2.gz GTHUKARLXPOQLA-QLFBSQMISA-N 2 1 338.496 1.711 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cnn4c3[C@H](C[NH3+])CCC4)CC[C@@H]21 ZINC000592564092 448902841 /nfs/dbraw/zinc/90/28/41/448902841.db2.gz FJDSSEQUGFBDNX-LZWOXQAQSA-N 2 1 331.464 1.276 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000574647788 448924646 /nfs/dbraw/zinc/92/46/46/448924646.db2.gz YSQRUDCRLSYXEF-SOLBZPMBSA-N 2 1 327.513 1.168 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000574647788 448924652 /nfs/dbraw/zinc/92/46/52/448924652.db2.gz YSQRUDCRLSYXEF-SOLBZPMBSA-N 3 1 327.513 1.168 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000574647788 448924654 /nfs/dbraw/zinc/92/46/54/448924654.db2.gz YSQRUDCRLSYXEF-SOLBZPMBSA-N 3 1 327.513 1.168 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CC[C@@H](c3ccccc3F)C2)C1=O ZINC000574806170 448959024 /nfs/dbraw/zinc/95/90/24/448959024.db2.gz WSYRCPSIGYGBTF-RHSMWYFYSA-N 2 1 347.434 1.694 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)C1=O ZINC000574806170 448959026 /nfs/dbraw/zinc/95/90/26/448959026.db2.gz WSYRCPSIGYGBTF-RHSMWYFYSA-N 2 1 347.434 1.694 20 0 EDADMP CN(C)[C@H](CNC[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000574804115 448959830 /nfs/dbraw/zinc/95/98/30/448959830.db2.gz XUPNSSNRYSJWIW-RHSMWYFYSA-N 2 1 325.884 1.987 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000569103474 448962425 /nfs/dbraw/zinc/96/24/25/448962425.db2.gz INKYSFRAOCEDFX-ZOBUZTSGSA-N 2 1 346.475 1.009 20 0 EDADMP CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000569212734 448980731 /nfs/dbraw/zinc/98/07/31/448980731.db2.gz KVSRAHISNZHDRX-FQEVSTJZSA-N 2 1 349.519 1.557 20 0 EDADMP Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000548681124 449081243 /nfs/dbraw/zinc/08/12/43/449081243.db2.gz CRCYXFLOWMFIKS-GJZGRUSLSA-N 2 1 336.415 1.822 20 0 EDADMP Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000548681124 449081248 /nfs/dbraw/zinc/08/12/48/449081248.db2.gz CRCYXFLOWMFIKS-GJZGRUSLSA-N 2 1 336.415 1.822 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592958518 449081833 /nfs/dbraw/zinc/08/18/33/449081833.db2.gz ZVEORKAOAJGQTO-XHSDSOJGSA-N 2 1 347.507 1.817 20 0 EDADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000522059892 449048022 /nfs/dbraw/zinc/04/80/22/449048022.db2.gz BMAZZAPWZYCERY-QUCCMNQESA-N 2 1 344.503 1.832 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000569588386 449052058 /nfs/dbraw/zinc/05/20/58/449052058.db2.gz LTGUUKRTMHNEET-JSGCOSHPSA-N 2 1 325.419 1.551 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc3c(c1)OCO3)CC[NH2+]CC2 ZINC000569592842 449053012 /nfs/dbraw/zinc/05/30/12/449053012.db2.gz RLUKOQYRCVIVSE-CYBMUJFWSA-N 2 1 331.416 1.818 20 0 EDADMP C[C@@H](C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1C[NH2+]C1 ZINC000575396528 449088878 /nfs/dbraw/zinc/08/88/78/449088878.db2.gz UWWRQPJYNVOVNG-HIFRSBDPSA-N 2 1 336.505 1.008 20 0 EDADMP C[NH+](CCC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)C1CCCCC1 ZINC000548717013 449088968 /nfs/dbraw/zinc/08/89/68/449088968.db2.gz BAUQILRPJXLESP-MRXNPFEDSA-N 2 1 338.496 1.097 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000601828434 449172092 /nfs/dbraw/zinc/17/20/92/449172092.db2.gz JTHZNMLIGFODMZ-HNNXBMFYSA-N 2 1 325.522 1.806 20 0 EDADMP COC(=O)Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000600184695 449232100 /nfs/dbraw/zinc/23/21/00/449232100.db2.gz IVWMDHNQHZKTAY-GOSISDBHSA-N 2 1 332.444 1.745 20 0 EDADMP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595891516 449236463 /nfs/dbraw/zinc/23/64/63/449236463.db2.gz INTOMHQTRJKLLH-IKGGRYGDSA-N 2 1 336.476 1.951 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000595945827 449271739 /nfs/dbraw/zinc/27/17/39/449271739.db2.gz OOJICILKVAUYLT-IRXDYDNUSA-N 2 1 347.459 1.042 20 0 EDADMP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@@H]3CC[N@H+](C4CCCCC4)C3)c21 ZINC000595966565 449288175 /nfs/dbraw/zinc/28/81/75/449288175.db2.gz QIHAHGQWSFAOIP-LSDHHAIUSA-N 2 1 345.491 1.856 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617113490 449465561 /nfs/dbraw/zinc/46/55/61/449465561.db2.gz JTGUMQWFVXMMEI-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCc4ccccc4)C3)C[C@H]2C1 ZINC000614125132 449470573 /nfs/dbraw/zinc/47/05/73/449470573.db2.gz SNDXEYCRCSOVNY-SLFFLAALSA-N 2 1 341.499 1.961 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](CCc4ccccc4)C3)C[C@H]2C1 ZINC000614125132 449470575 /nfs/dbraw/zinc/47/05/75/449470575.db2.gz SNDXEYCRCSOVNY-SLFFLAALSA-N 2 1 341.499 1.961 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCc4ccccc4)C3)C[C@H]2C1 ZINC000614125132 449470581 /nfs/dbraw/zinc/47/05/81/449470581.db2.gz SNDXEYCRCSOVNY-SLFFLAALSA-N 2 1 341.499 1.961 20 0 EDADMP CC(C)[C@H](C(=O)N(C)CCCC[NH+](C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000607033249 449563263 /nfs/dbraw/zinc/56/32/63/449563263.db2.gz MSTLGKBWJQMXEI-BRWVUGGUSA-N 2 1 327.513 1.920 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(-n2cnnc2)cc1 ZINC000617504628 449650197 /nfs/dbraw/zinc/65/01/97/449650197.db2.gz CGVIODIEQJWBLS-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(-n2cnnc2)cc1 ZINC000617504628 449650198 /nfs/dbraw/zinc/65/01/98/449650198.db2.gz CGVIODIEQJWBLS-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nn(C)c2c1CCCC2 ZINC000617502268 449644265 /nfs/dbraw/zinc/64/42/65/449644265.db2.gz JESASSTVUDUQIB-AWEZNQCLSA-N 2 1 335.496 1.301 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nn(C)c2c1CCCC2 ZINC000617502268 449644269 /nfs/dbraw/zinc/64/42/69/449644269.db2.gz JESASSTVUDUQIB-AWEZNQCLSA-N 2 1 335.496 1.301 20 0 EDADMP COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000597247572 449894616 /nfs/dbraw/zinc/89/46/16/449894616.db2.gz PHOQBHJWKMOYBJ-QKGUJMCYSA-N 2 1 336.476 1.807 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)n[nH]1 ZINC000608692779 449910793 /nfs/dbraw/zinc/91/07/93/449910793.db2.gz SBGMHBJFNUPASW-MRXNPFEDSA-N 2 1 336.484 1.276 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)[nH]n1 ZINC000608692779 449910798 /nfs/dbraw/zinc/91/07/98/449910798.db2.gz SBGMHBJFNUPASW-MRXNPFEDSA-N 2 1 336.484 1.276 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)[nH]n1 ZINC000608692779 449910801 /nfs/dbraw/zinc/91/08/01/449910801.db2.gz SBGMHBJFNUPASW-MRXNPFEDSA-N 2 1 336.484 1.276 20 0 EDADMP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000599414463 449958858 /nfs/dbraw/zinc/95/88/58/449958858.db2.gz FAKKVEFUYWNXQR-AZUAARDMSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000599414463 449958866 /nfs/dbraw/zinc/95/88/66/449958866.db2.gz FAKKVEFUYWNXQR-AZUAARDMSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)C[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000599414463 449958872 /nfs/dbraw/zinc/95/88/72/449958872.db2.gz FAKKVEFUYWNXQR-AZUAARDMSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)C[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000599414463 449958878 /nfs/dbraw/zinc/95/88/78/449958878.db2.gz FAKKVEFUYWNXQR-AZUAARDMSA-N 2 1 346.471 1.899 20 0 EDADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000612976659 449967203 /nfs/dbraw/zinc/96/72/03/449967203.db2.gz KWQBURBXRFXUAW-JKSUJKDBSA-N 2 1 336.480 1.025 20 0 EDADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000612977477 449967422 /nfs/dbraw/zinc/96/74/22/449967422.db2.gz ZIEBWVAELPBQDI-BHYGNILZSA-N 2 1 332.492 1.787 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2)CCC(F)(F)F ZINC000612982759 449970404 /nfs/dbraw/zinc/97/04/04/449970404.db2.gz BVQKROJPJYPEAO-GFCCVEGCSA-N 2 1 336.402 1.702 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3COc4ccccc4O3)C2)CC1 ZINC000609337930 450013085 /nfs/dbraw/zinc/01/30/85/450013085.db2.gz GOFGPPHXBXMFEG-SJORKVTESA-N 2 1 331.460 1.538 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)cn1 ZINC000615268172 450030145 /nfs/dbraw/zinc/03/01/45/450030145.db2.gz UHYDVNYLWHNZJZ-SJORKVTESA-N 2 1 332.448 1.078 20 0 EDADMP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000625943482 450539325 /nfs/dbraw/zinc/53/93/25/450539325.db2.gz HLMSROOOXGFUOC-INIZCTEOSA-N 2 1 330.432 1.774 20 0 EDADMP CC[N@@H+](CCCS(=O)(=O)NC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062048 450565880 /nfs/dbraw/zinc/56/58/80/450565880.db2.gz DQDRNRUEATXNIF-UHFFFAOYSA-N 2 1 327.494 1.509 20 0 EDADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)CN1CCOCC1 ZINC000626062257 450565990 /nfs/dbraw/zinc/56/59/90/450565990.db2.gz MVJBLQNORHCPEW-LJQANCHMSA-N 2 1 335.492 1.263 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CCSC1 ZINC000623708268 450569423 /nfs/dbraw/zinc/56/94/23/450569423.db2.gz BIEATFGDUQCPBO-RDJZCZTQSA-N 2 1 340.537 1.740 20 0 EDADMP C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635069738 450621069 /nfs/dbraw/zinc/62/10/69/450621069.db2.gz QXHUITIMPILUTN-PKOBYXMFSA-N 2 1 331.460 1.203 20 0 EDADMP O=C(CCc1ccccc1)N1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629566262 450738752 /nfs/dbraw/zinc/73/87/52/450738752.db2.gz ISBLFKDKROWTNR-OALUTQOASA-N 2 1 345.487 1.266 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000629567935 450740466 /nfs/dbraw/zinc/74/04/66/450740466.db2.gz HGPATGITPKDUSH-GOSISDBHSA-N 2 1 333.476 1.908 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000629567935 450740470 /nfs/dbraw/zinc/74/04/70/450740470.db2.gz HGPATGITPKDUSH-GOSISDBHSA-N 2 1 333.476 1.908 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000629571690 450742494 /nfs/dbraw/zinc/74/24/94/450742494.db2.gz HIFQZXWCVOBELJ-ZDUSSCGKSA-N 2 1 334.420 1.974 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000629571690 450742495 /nfs/dbraw/zinc/74/24/95/450742495.db2.gz HIFQZXWCVOBELJ-ZDUSSCGKSA-N 2 1 334.420 1.974 20 0 EDADMP C[N@@H+](CCOCC[NH3+])[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000629578925 450745957 /nfs/dbraw/zinc/74/59/57/450745957.db2.gz XYQNUSBGZUMSLM-INIZCTEOSA-N 2 1 341.402 1.363 20 0 EDADMP CC[N@H+](C)Cc1cccc(CNS(=O)(=O)CC2([NH+](C)C)CC2)c1 ZINC000631785325 450773978 /nfs/dbraw/zinc/77/39/78/450773978.db2.gz FYQCENGIUJGNPG-UHFFFAOYSA-N 2 1 339.505 1.652 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)CC2([NH+](C)C)CC2)c1 ZINC000631785325 450773985 /nfs/dbraw/zinc/77/39/85/450773985.db2.gz FYQCENGIUJGNPG-UHFFFAOYSA-N 2 1 339.505 1.652 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)C2)C1 ZINC000627505067 450781689 /nfs/dbraw/zinc/78/16/89/450781689.db2.gz UYKMGDQZWORALH-NLWGTHIKSA-N 2 1 327.472 1.886 20 0 EDADMP C[NH+]1C[C@@H](c2ccccc2)[C@H](C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000627505067 450781692 /nfs/dbraw/zinc/78/16/92/450781692.db2.gz UYKMGDQZWORALH-NLWGTHIKSA-N 2 1 327.472 1.886 20 0 EDADMP C[NH+]1C[C@@H](c2ccccc2)[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000627505067 450781695 /nfs/dbraw/zinc/78/16/95/450781695.db2.gz UYKMGDQZWORALH-NLWGTHIKSA-N 2 1 327.472 1.886 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000631810466 450789602 /nfs/dbraw/zinc/78/96/02/450789602.db2.gz TZINVTFJUGYJFJ-CEXWTWQISA-N 2 1 345.487 1.252 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000631810466 450789607 /nfs/dbraw/zinc/78/96/07/450789607.db2.gz TZINVTFJUGYJFJ-CEXWTWQISA-N 2 1 345.487 1.252 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000631810466 450789610 /nfs/dbraw/zinc/78/96/10/450789610.db2.gz TZINVTFJUGYJFJ-CEXWTWQISA-N 2 1 345.487 1.252 20 0 EDADMP [NH3+][C@H](C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)c1ccccc1Br ZINC000621679481 450829849 /nfs/dbraw/zinc/82/98/49/450829849.db2.gz NGIXWOYLGXNMJH-DGFSRKRXSA-N 2 1 338.249 1.789 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000631859451 450830778 /nfs/dbraw/zinc/83/07/78/450830778.db2.gz AFBKNRLOZGJUJU-FUHWJXTLSA-N 2 1 330.476 1.061 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1conc1C ZINC000631869666 450837376 /nfs/dbraw/zinc/83/73/76/450837376.db2.gz QEZSULFLBQIDCY-AWEZNQCLSA-N 2 1 344.481 1.020 20 0 EDADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000621777896 450863812 /nfs/dbraw/zinc/86/38/12/450863812.db2.gz IMCSPIVURPEIJU-LIRRHRJNSA-N 2 1 327.428 1.876 20 0 EDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000621777896 450863817 /nfs/dbraw/zinc/86/38/17/450863817.db2.gz IMCSPIVURPEIJU-LIRRHRJNSA-N 2 1 327.428 1.876 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C1CCC1 ZINC000629979142 450929984 /nfs/dbraw/zinc/92/99/84/450929984.db2.gz ONFOJMZFDUNIQT-UHFFFAOYSA-N 2 1 337.508 1.822 20 0 EDADMP C[N@@H+](CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000630008557 450948831 /nfs/dbraw/zinc/94/88/31/450948831.db2.gz VLBACSZUOZQOFF-UHFFFAOYSA-N 2 1 345.487 1.614 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635448099 450948989 /nfs/dbraw/zinc/94/89/89/450948989.db2.gz CLEVNQKPBOGPAR-INIZCTEOSA-N 2 1 325.497 1.581 20 0 EDADMP O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)CC1(O)CCOCC1 ZINC000630044643 450979313 /nfs/dbraw/zinc/97/93/13/450979313.db2.gz YIOLIWLJTQIXDE-BPQIPLTHSA-N 2 1 338.492 1.228 20 0 EDADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)CC1(O)CCOCC1 ZINC000630044643 450979318 /nfs/dbraw/zinc/97/93/18/450979318.db2.gz YIOLIWLJTQIXDE-BPQIPLTHSA-N 2 1 338.492 1.228 20 0 EDADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)CC1(O)CCOCC1 ZINC000630044643 450979322 /nfs/dbraw/zinc/97/93/22/450979322.db2.gz YIOLIWLJTQIXDE-BPQIPLTHSA-N 2 1 338.492 1.228 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)c2C1 ZINC000626888230 450985149 /nfs/dbraw/zinc/98/51/49/450985149.db2.gz JRFIJMQFQBPKHJ-HIFRSBDPSA-N 2 1 344.459 1.607 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)c2C1 ZINC000626888230 450985154 /nfs/dbraw/zinc/98/51/54/450985154.db2.gz JRFIJMQFQBPKHJ-HIFRSBDPSA-N 2 1 344.459 1.607 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000626934352 451016243 /nfs/dbraw/zinc/01/62/43/451016243.db2.gz FEDAJHRYILMDIF-UHFFFAOYSA-N 2 1 348.491 1.312 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000626934509 451016967 /nfs/dbraw/zinc/01/69/67/451016967.db2.gz GXKRJDLVDWWCAH-IYBDPMFKSA-N 2 1 328.501 1.232 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000626953621 451030988 /nfs/dbraw/zinc/03/09/88/451030988.db2.gz XQNDPGDWMHDXDR-INIZCTEOSA-N 2 1 348.491 1.311 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626976712 451046025 /nfs/dbraw/zinc/04/60/25/451046025.db2.gz NFMRTTIGTLLBCE-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CC[NH+](CCCF)CC1 ZINC000627960731 451053699 /nfs/dbraw/zinc/05/36/99/451053699.db2.gz PTZQCBQTXVVLHZ-UHFFFAOYSA-N 2 1 333.451 1.939 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)N1CC[NH+](CCCF)CC1 ZINC000627960731 451053704 /nfs/dbraw/zinc/05/37/04/451053704.db2.gz PTZQCBQTXVVLHZ-UHFFFAOYSA-N 2 1 333.451 1.939 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000627011538 451075729 /nfs/dbraw/zinc/07/57/29/451075729.db2.gz CZPZNJKLNORIIC-UHFFFAOYSA-N 2 1 349.479 1.368 20 0 EDADMP Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c2nccn2c1 ZINC000628051486 451104875 /nfs/dbraw/zinc/10/48/75/451104875.db2.gz HNFAKJXXIKGXMA-HNNXBMFYSA-N 2 1 331.464 1.645 20 0 EDADMP Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c2nccn2c1 ZINC000628051486 451104878 /nfs/dbraw/zinc/10/48/78/451104878.db2.gz HNFAKJXXIKGXMA-HNNXBMFYSA-N 2 1 331.464 1.645 20 0 EDADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000627072054 451111878 /nfs/dbraw/zinc/11/18/78/451111878.db2.gz YDDQMXAJUFHOKZ-SJORKVTESA-N 2 1 334.464 1.176 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627198608 451182406 /nfs/dbraw/zinc/18/24/06/451182406.db2.gz MSKMNVSMQTVYRJ-SZVBFZGTSA-N 2 1 346.475 1.063 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C[NH2+]1 ZINC000627209623 451187463 /nfs/dbraw/zinc/18/74/63/451187463.db2.gz HIYNEBBHQGQAFK-NXHRZFHOSA-N 2 1 330.476 1.695 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C[NH2+]1 ZINC000627209623 451187467 /nfs/dbraw/zinc/18/74/67/451187467.db2.gz HIYNEBBHQGQAFK-NXHRZFHOSA-N 2 1 330.476 1.695 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634093805 451189640 /nfs/dbraw/zinc/18/96/40/451189640.db2.gz REQLUAMAFYMYGJ-UHFFFAOYSA-N 2 1 328.420 1.863 20 0 EDADMP C[C@H]1CCN(C(=O)NCCOCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000627214342 451191591 /nfs/dbraw/zinc/19/15/91/451191591.db2.gz JJVICGNJDKEYOI-KRWDZBQOSA-N 2 1 348.491 1.658 20 0 EDADMP Cc1cc(CNC(=O)N[C@H]2CCC[N@@H+](C)C2)cc(N2CCCC2)[nH+]1 ZINC000634143123 451205638 /nfs/dbraw/zinc/20/56/38/451205638.db2.gz XMRGNOMXNCZFDX-INIZCTEOSA-N 2 1 331.464 1.884 20 0 EDADMP Cc1cc(CNC(=O)N[C@H]2CCC[N@H+](C)C2)cc(N2CCCC2)[nH+]1 ZINC000634143123 451205642 /nfs/dbraw/zinc/20/56/42/451205642.db2.gz XMRGNOMXNCZFDX-INIZCTEOSA-N 2 1 331.464 1.884 20 0 EDADMP [NH3+]C[C@]1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCCOC1 ZINC000638085523 451250294 /nfs/dbraw/zinc/25/02/94/451250294.db2.gz MEVRWJHNXTYNPW-UYAOXDASSA-N 2 1 345.487 1.423 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)c2cnc(C[NH3+])nc2)CC[N@H+]1Cc1ccccc1 ZINC000638104430 451272274 /nfs/dbraw/zinc/27/22/74/451272274.db2.gz ZQCGKEXMFRPGGM-YOEHRIQHSA-N 2 1 339.443 1.718 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCCC[NH2+]1 ZINC000638117568 451284450 /nfs/dbraw/zinc/28/44/50/451284450.db2.gz MLJHHHGRMQGGKX-ICSRJNTNSA-N 2 1 345.487 1.926 20 0 EDADMP C[C@H](CCNC(=O)c1cnc(C[NH3+])nc1)[N@@H+](C)Cc1ccccc1 ZINC000638130524 451301549 /nfs/dbraw/zinc/30/15/49/451301549.db2.gz HEHYHYBVDZJQAM-CQSZACIVSA-N 2 1 327.432 1.576 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000638130984 451301770 /nfs/dbraw/zinc/30/17/70/451301770.db2.gz NPMZLTACENKLHG-IMFGXOCKSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000638130987 451302030 /nfs/dbraw/zinc/30/20/30/451302030.db2.gz NPMZLTACENKLHG-XKGZKEIXSA-N 2 1 345.487 1.876 20 0 EDADMP [NH3+]Cc1nc(-c2ccc(NC(=O)C34CCC[NH+](CCC3)C4)cc2)n[nH]1 ZINC000638201073 451352678 /nfs/dbraw/zinc/35/26/78/451352678.db2.gz ARSHDBGHVZBEIB-UHFFFAOYSA-N 2 1 340.431 1.745 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636657963 451389478 /nfs/dbraw/zinc/38/94/78/451389478.db2.gz KWSBFBQJJZUCFL-HNNXBMFYSA-N 2 1 340.512 1.166 20 0 EDADMP NC(=O)C1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634702688 451477945 /nfs/dbraw/zinc/47/79/45/451477945.db2.gz KGMFNPYGYGXBQS-TVPLGVNVSA-N 2 1 331.460 1.257 20 0 EDADMP NC(=O)C1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634702688 451477951 /nfs/dbraw/zinc/47/79/51/451477951.db2.gz KGMFNPYGYGXBQS-TVPLGVNVSA-N 2 1 331.460 1.257 20 0 EDADMP CN(Cc1ccccc1)C(=O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638391687 451481945 /nfs/dbraw/zinc/48/19/45/451481945.db2.gz YGSXVHJXOLGQPK-UHFFFAOYSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2)[NH+](C)C ZINC000636073102 451488402 /nfs/dbraw/zinc/48/84/02/451488402.db2.gz IGODEPWFMCUPSY-QRFRQXIXSA-N 2 1 345.487 1.591 20 0 EDADMP CC(=O)N1CCC[C@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634713296 451492521 /nfs/dbraw/zinc/49/25/21/451492521.db2.gz TZMZTUPGBJXUHV-WOJBJXKFSA-N 2 1 345.487 1.472 20 0 EDADMP CC(=O)N1CCC[C@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634713296 451492527 /nfs/dbraw/zinc/49/25/27/451492527.db2.gz TZMZTUPGBJXUHV-WOJBJXKFSA-N 2 1 345.487 1.472 20 0 EDADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000638412046 451498604 /nfs/dbraw/zinc/49/86/04/451498604.db2.gz MSYRZJICDVGUON-WBAXXEDZSA-N 2 1 331.460 1.599 20 0 EDADMP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(=O)NCc1ccccc1 ZINC000638413459 451499008 /nfs/dbraw/zinc/49/90/08/451499008.db2.gz XIZMCFHYDOVXRK-HNNXBMFYSA-N 2 1 333.476 1.516 20 0 EDADMP OCC1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000634720844 451500522 /nfs/dbraw/zinc/50/05/22/451500522.db2.gz PTYQXDHHLFPWMI-LJQANCHMSA-N 2 1 334.460 1.002 20 0 EDADMP OCC1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000634720844 451500528 /nfs/dbraw/zinc/50/05/28/451500528.db2.gz PTYQXDHHLFPWMI-LJQANCHMSA-N 2 1 334.460 1.002 20 0 EDADMP Cc1cc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)on1 ZINC000631068953 451567259 /nfs/dbraw/zinc/56/72/59/451567259.db2.gz MWNGQDQCSBHFSK-QGZVFWFLSA-N 2 1 342.443 1.970 20 0 EDADMP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)on1 ZINC000631068953 451567264 /nfs/dbraw/zinc/56/72/64/451567264.db2.gz MWNGQDQCSBHFSK-QGZVFWFLSA-N 2 1 342.443 1.970 20 0 EDADMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)on1 ZINC000631068953 451567270 /nfs/dbraw/zinc/56/72/70/451567270.db2.gz MWNGQDQCSBHFSK-QGZVFWFLSA-N 2 1 342.443 1.970 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000638571935 451583711 /nfs/dbraw/zinc/58/37/11/451583711.db2.gz RMPXIWTWTLMBBY-JKSUJKDBSA-N 2 1 336.505 1.920 20 0 EDADMP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000636239469 451611165 /nfs/dbraw/zinc/61/11/65/451611165.db2.gz IDOPKGOXBMKGQX-GOSISDBHSA-N 2 1 345.487 1.736 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632859494 451618490 /nfs/dbraw/zinc/61/84/90/451618490.db2.gz UJSZKYGJQNVNCV-QRVBRYPASA-N 2 1 343.471 1.488 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632859494 451618495 /nfs/dbraw/zinc/61/84/95/451618495.db2.gz UJSZKYGJQNVNCV-QRVBRYPASA-N 2 1 343.471 1.488 20 0 EDADMP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000636252654 451622740 /nfs/dbraw/zinc/62/27/40/451622740.db2.gz CCJBFRAKDQLZQP-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP COc1ncc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000638678364 451646820 /nfs/dbraw/zinc/64/68/20/451646820.db2.gz NCMHAHQLTMJVHE-QGZVFWFLSA-N 2 1 333.457 1.878 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCC1(F)F ZINC000638803818 451695358 /nfs/dbraw/zinc/69/53/58/451695358.db2.gz PJRAHJFQXIPNOJ-HZPDHXFCSA-N 2 1 337.414 1.870 20 0 EDADMP Cc1cc(N2CCC([NH2+]CC(C)(C)N3CCOCC3)CC2)nc(C)[nH+]1 ZINC000638873942 451715948 /nfs/dbraw/zinc/71/59/48/451715948.db2.gz NUISBJIXBVVSIH-UHFFFAOYSA-N 2 1 347.507 1.763 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)C[C@@H]1Cc1ccccc1 ZINC000641041746 451739888 /nfs/dbraw/zinc/73/98/88/451739888.db2.gz DBEZJXMHNLFTFH-MSOLQXFVSA-N 2 1 330.476 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)C[C@@H]1Cc1ccccc1 ZINC000641041746 451739890 /nfs/dbraw/zinc/73/98/90/451739890.db2.gz DBEZJXMHNLFTFH-MSOLQXFVSA-N 2 1 330.476 1.697 20 0 EDADMP O=C(N[C@@H]1CCC[NH2+]CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000641044516 451740167 /nfs/dbraw/zinc/74/01/67/451740167.db2.gz XETYRMBYIOODGL-CEXWTWQISA-N 2 1 342.487 1.902 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cccc4ncccc34)nn2)CC1 ZINC000641153374 451763537 /nfs/dbraw/zinc/76/35/37/451763537.db2.gz CMRWRRONLXQNQW-UHFFFAOYSA-N 2 1 336.443 1.840 20 0 EDADMP CCO[C@@H]1C[C@@](CO)([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1(C)C ZINC000639084812 451764870 /nfs/dbraw/zinc/76/48/70/451764870.db2.gz BJHQUPJAZFRPPS-QAPCUYQASA-N 2 1 328.497 1.377 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000641163560 451766371 /nfs/dbraw/zinc/76/63/71/451766371.db2.gz SGNWMWPVZKLCIX-GASCZTMLSA-N 2 1 346.475 1.540 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000641163560 451766373 /nfs/dbraw/zinc/76/63/73/451766373.db2.gz SGNWMWPVZKLCIX-GASCZTMLSA-N 2 1 346.475 1.540 20 0 EDADMP C[N@@H+](CCCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000653343614 451856653 /nfs/dbraw/zinc/85/66/53/451856653.db2.gz SIVQCGNZHXPCON-UHFFFAOYSA-N 2 1 331.464 1.788 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653348826 451860415 /nfs/dbraw/zinc/86/04/15/451860415.db2.gz TYRAZIRCBDYUFR-MLHJIOFPSA-N 2 1 337.508 1.996 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000653369477 451881618 /nfs/dbraw/zinc/88/16/18/451881618.db2.gz RYIBIMIDKRTOLR-MRXNPFEDSA-N 2 1 340.512 1.071 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653476602 451974763 /nfs/dbraw/zinc/97/47/63/451974763.db2.gz MGLWDQABDPYCKJ-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP CC(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000644636480 451910198 /nfs/dbraw/zinc/91/01/98/451910198.db2.gz VFKUJNSGCNRPDE-OALUTQOASA-N 2 1 333.476 1.327 20 0 EDADMP CC(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000644636480 451910204 /nfs/dbraw/zinc/91/02/04/451910204.db2.gz VFKUJNSGCNRPDE-OALUTQOASA-N 2 1 333.476 1.327 20 0 EDADMP COC[C@]1(C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCC[NH2+]1 ZINC000649283116 451955489 /nfs/dbraw/zinc/95/54/89/451955489.db2.gz MPOADGCUHQNPJB-IBGZPJMESA-N 2 1 331.460 1.142 20 0 EDADMP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000649289939 451966459 /nfs/dbraw/zinc/96/64/59/451966459.db2.gz GVSJCIURGCSDOU-MSOLQXFVSA-N 2 1 331.460 1.510 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@]1(N)CC[N@@H+](C)C1)Cc1ccccc1 ZINC000649292625 451969039 /nfs/dbraw/zinc/96/90/39/451969039.db2.gz UFAITNCIPJBGII-HKUYNNGSSA-N 2 1 332.492 1.089 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653476602 451974762 /nfs/dbraw/zinc/97/47/62/451974762.db2.gz MGLWDQABDPYCKJ-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cnn1C ZINC000649310408 451988090 /nfs/dbraw/zinc/98/80/90/451988090.db2.gz DLVWIVJHEAXZQE-NXHRZFHOSA-N 2 1 347.507 1.268 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000637657725 452001918 /nfs/dbraw/zinc/00/19/18/452001918.db2.gz XUBSKFSANRGNQZ-QBPKDAKJSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@H]([NH2+]C1(CNC(=O)[C@@]2(N)CC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000649331705 452013703 /nfs/dbraw/zinc/01/37/03/452013703.db2.gz PFJVYVHJKMJRRW-OXJNMPFZSA-N 2 1 344.503 1.799 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)[C@H](C)C1 ZINC000649334407 452015056 /nfs/dbraw/zinc/01/50/56/452015056.db2.gz DKZZZQKLWKZOKG-KFWWJZLASA-N 2 1 347.450 1.484 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C2(OC)CC[NH2+]CC2)[C@@H](C)C1 ZINC000649381282 452053989 /nfs/dbraw/zinc/05/39/89/452053989.db2.gz YQJCGSOVFAMDBB-JKSUJKDBSA-N 2 1 341.496 1.008 20 0 EDADMP C[N@@H+](CCN1CCN([C@@H]2CCC[NH+](C)C2)CC1)Cc1ccccc1 ZINC000649382095 452054912 /nfs/dbraw/zinc/05/49/12/452054912.db2.gz GWUJGVHDTNAVRG-HXUWFJFHSA-N 2 1 330.520 1.830 20 0 EDADMP C[NH+](CCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)Cc1ccccc1 ZINC000649382095 452054916 /nfs/dbraw/zinc/05/49/16/452054916.db2.gz GWUJGVHDTNAVRG-HXUWFJFHSA-N 2 1 330.520 1.830 20 0 EDADMP C[NH+](CCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)Cc1ccccc1 ZINC000649382095 452054922 /nfs/dbraw/zinc/05/49/22/452054922.db2.gz GWUJGVHDTNAVRG-HXUWFJFHSA-N 2 1 330.520 1.830 20 0 EDADMP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)n(C)n1 ZINC000649418234 452080270 /nfs/dbraw/zinc/08/02/70/452080270.db2.gz LOUAHAZKPDKDHI-ZACQAIPSSA-N 2 1 345.491 1.545 20 0 EDADMP Cc1cc(CNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc(C)n1 ZINC000643231565 452084870 /nfs/dbraw/zinc/08/48/70/452084870.db2.gz BQDQZSIRDUDRPB-KRWDZBQOSA-N 2 1 345.491 1.666 20 0 EDADMP Cc1cc(CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc(C)n1 ZINC000643231565 452084876 /nfs/dbraw/zinc/08/48/76/452084876.db2.gz BQDQZSIRDUDRPB-KRWDZBQOSA-N 2 1 345.491 1.666 20 0 EDADMP CN(C)C(=O)Cc1nc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639757793 452096702 /nfs/dbraw/zinc/09/67/02/452096702.db2.gz LKJJOCYZBOGNIS-UHFFFAOYSA-N 2 1 336.505 1.692 20 0 EDADMP CN(C)C(=O)Cc1nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639757793 452096708 /nfs/dbraw/zinc/09/67/08/452096708.db2.gz LKJJOCYZBOGNIS-UHFFFAOYSA-N 2 1 336.505 1.692 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639760000 452098551 /nfs/dbraw/zinc/09/85/51/452098551.db2.gz PNHDYHYKPAFMFV-GOSISDBHSA-N 2 1 348.487 1.990 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000639762176 452101203 /nfs/dbraw/zinc/10/12/03/452101203.db2.gz HHJGBFNZEOARDP-APWZRJJASA-N 2 1 339.524 1.660 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2)[C@H]1CC[NH2+]C1 ZINC000637837540 452109989 /nfs/dbraw/zinc/10/99/89/452109989.db2.gz IKBYTQBPUYAJII-BJLQDIEVSA-N 2 1 343.471 1.345 20 0 EDADMP C[N@@H+]1CCC[C@H]1CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000649518001 452120908 /nfs/dbraw/zinc/12/09/08/452120908.db2.gz NQYSXWMJHCPPLV-ROUUACIJSA-N 2 1 333.476 1.138 20 0 EDADMP C[N@H+]1CCC[C@H]1CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000649518001 452120911 /nfs/dbraw/zinc/12/09/11/452120911.db2.gz NQYSXWMJHCPPLV-ROUUACIJSA-N 2 1 333.476 1.138 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639775730 452122151 /nfs/dbraw/zinc/12/21/51/452122151.db2.gz NKWSYTBKOHHFET-KRWDZBQOSA-N 2 1 338.521 1.721 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639775730 452122157 /nfs/dbraw/zinc/12/21/57/452122157.db2.gz NKWSYTBKOHHFET-KRWDZBQOSA-N 2 1 338.521 1.721 20 0 EDADMP CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cccc3c2CCN(C)C3)C1 ZINC000641617081 452136986 /nfs/dbraw/zinc/13/69/86/452136986.db2.gz ZLXRGTHJVIHRCM-HNNXBMFYSA-N 2 1 337.489 1.437 20 0 EDADMP CCCN1CC[C@H](NS(=O)(=O)c2cccc3c2CCN(C)C3)C1 ZINC000641617081 452136992 /nfs/dbraw/zinc/13/69/92/452136992.db2.gz ZLXRGTHJVIHRCM-HNNXBMFYSA-N 2 1 337.489 1.437 20 0 EDADMP O=C1CC[C@@H]2C[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)CC[C@H]2N1 ZINC000639813804 452147855 /nfs/dbraw/zinc/14/78/55/452147855.db2.gz LEEZLKOCIGWIDZ-QWFCFKBJSA-N 2 1 343.471 1.224 20 0 EDADMP O=C1CC[C@@H]2C[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)CC[C@H]2N1 ZINC000639813804 452147860 /nfs/dbraw/zinc/14/78/60/452147860.db2.gz LEEZLKOCIGWIDZ-QWFCFKBJSA-N 2 1 343.471 1.224 20 0 EDADMP O=C1CC[C@@H]2C[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC[C@H]2N1 ZINC000639813804 452147868 /nfs/dbraw/zinc/14/78/68/452147868.db2.gz LEEZLKOCIGWIDZ-QWFCFKBJSA-N 2 1 343.471 1.224 20 0 EDADMP O=C1CC[C@@H]2C[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC[C@H]2N1 ZINC000639813804 452147872 /nfs/dbraw/zinc/14/78/72/452147872.db2.gz LEEZLKOCIGWIDZ-QWFCFKBJSA-N 2 1 343.471 1.224 20 0 EDADMP CC(C)C[C@H]([NH2+][C@H](C)c1cc2n(n1)CCCC2)C(=O)NCC[NH+](C)C ZINC000647297609 452170796 /nfs/dbraw/zinc/17/07/96/452170796.db2.gz OUSUNPGDDPWUJD-QAPCUYQASA-N 2 1 349.523 1.963 20 0 EDADMP CNS(=O)(=O)c1ccccc1N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000641656051 452173490 /nfs/dbraw/zinc/17/34/90/452173490.db2.gz BELYXEXQPORTNH-AWEZNQCLSA-N 2 1 342.509 1.279 20 0 EDADMP CNS(=O)(=O)c1ccccc1N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000641656051 452173497 /nfs/dbraw/zinc/17/34/97/452173497.db2.gz BELYXEXQPORTNH-AWEZNQCLSA-N 2 1 342.509 1.279 20 0 EDADMP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1C[NH2+]CCO1 ZINC000645157898 452184635 /nfs/dbraw/zinc/18/46/35/452184635.db2.gz VVBDPJHUZAKOSC-HOTGVXAUSA-N 2 1 337.851 1.582 20 0 EDADMP COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000651950731 452187454 /nfs/dbraw/zinc/18/74/54/452187454.db2.gz PBKDXRORFKTCSK-QZTJIDSGSA-N 2 1 334.460 1.743 20 0 EDADMP CCCN(C(=O)NC1CC[NH+](CCOC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645213470 452214830 /nfs/dbraw/zinc/21/48/30/452214830.db2.gz RFJDWAQSAJXOPS-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480538 452227292 /nfs/dbraw/zinc/22/72/92/452227292.db2.gz QORKIAMUEXBLPC-FUHWJXTLSA-N 2 1 347.507 1.529 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480538 452227297 /nfs/dbraw/zinc/22/72/97/452227297.db2.gz QORKIAMUEXBLPC-FUHWJXTLSA-N 2 1 347.507 1.529 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000654065993 452233063 /nfs/dbraw/zinc/23/30/63/452233063.db2.gz JUQZFOQVJDKXSM-FGTMMUONSA-N 2 1 331.460 1.344 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000654065993 452233068 /nfs/dbraw/zinc/23/30/68/452233068.db2.gz JUQZFOQVJDKXSM-FGTMMUONSA-N 2 1 331.460 1.344 20 0 EDADMP CN(CCCOc1ccc(F)cc1)C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641804543 452283578 /nfs/dbraw/zinc/28/35/78/452283578.db2.gz KGYVYDSPEXVPNX-JKSUJKDBSA-N 2 1 337.439 1.768 20 0 EDADMP C[C@@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487541 452284744 /nfs/dbraw/zinc/28/47/44/452284744.db2.gz HDBNXDDPRUQGJA-LJCCNALRSA-N 2 1 345.487 1.532 20 0 EDADMP C[C@@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487541 452284752 /nfs/dbraw/zinc/28/47/52/452284752.db2.gz HDBNXDDPRUQGJA-LJCCNALRSA-N 2 1 345.487 1.532 20 0 EDADMP C[C@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487544 452285536 /nfs/dbraw/zinc/28/55/36/452285536.db2.gz HDBNXDDPRUQGJA-WWNBULGVSA-N 2 1 345.487 1.532 20 0 EDADMP C[C@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487544 452285544 /nfs/dbraw/zinc/28/55/44/452285544.db2.gz HDBNXDDPRUQGJA-WWNBULGVSA-N 2 1 345.487 1.532 20 0 EDADMP C[C@H]([NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C(C)(C)n1cncn1 ZINC000638035309 452291278 /nfs/dbraw/zinc/29/12/78/452291278.db2.gz RPWMNYCLARLTRR-DLBZAZTESA-N 2 1 334.512 1.504 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N(C)CC(C)(C)[NH3+])CC2)nc(C)[nH+]1 ZINC000659465196 452320349 /nfs/dbraw/zinc/32/03/49/452320349.db2.gz JVTBRPQXGNEZLG-UHFFFAOYSA-N 2 1 334.468 1.441 20 0 EDADMP CCO[C@@H]1CN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000652128908 452325114 /nfs/dbraw/zinc/32/51/14/452325114.db2.gz OJZGHPRNXBXSJN-GVDBMIGSSA-N 2 1 340.512 1.646 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000641918350 452346013 /nfs/dbraw/zinc/34/60/13/452346013.db2.gz KTQHHLWEIHJWOJ-PIIMJCKOSA-N 2 1 328.460 1.430 20 0 EDADMP CCO[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C[C@@H]1C ZINC000665764139 452347141 /nfs/dbraw/zinc/34/71/41/452347141.db2.gz WANBDRAQLBMAIU-ULQDDVLXSA-N 2 1 342.528 1.715 20 0 EDADMP CCO[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C[C@@H]1C ZINC000665764139 452347151 /nfs/dbraw/zinc/34/71/51/452347151.db2.gz WANBDRAQLBMAIU-ULQDDVLXSA-N 2 1 342.528 1.715 20 0 EDADMP CO[C@@H]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000645399293 452374375 /nfs/dbraw/zinc/37/43/75/452374375.db2.gz UMDQFYQRLGPWMR-RCCFBDPRSA-N 2 1 337.508 1.819 20 0 EDADMP CO[C@@H]1CCCC[C@H]1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645399293 452374385 /nfs/dbraw/zinc/37/43/85/452374385.db2.gz UMDQFYQRLGPWMR-RCCFBDPRSA-N 2 1 337.508 1.819 20 0 EDADMP COC[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638071390 452381964 /nfs/dbraw/zinc/38/19/64/452381964.db2.gz IRNADELDRXVAAH-UYAOXDASSA-N 2 1 345.487 1.926 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000663680270 452416642 /nfs/dbraw/zinc/41/66/42/452416642.db2.gz DXNILOGINFWCCE-YESZJQIVSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000663680270 452416650 /nfs/dbraw/zinc/41/66/50/452416650.db2.gz DXNILOGINFWCCE-YESZJQIVSA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000663680270 452416661 /nfs/dbraw/zinc/41/66/61/452416661.db2.gz DXNILOGINFWCCE-YESZJQIVSA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000663680270 452416665 /nfs/dbraw/zinc/41/66/65/452416665.db2.gz DXNILOGINFWCCE-YESZJQIVSA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000663680270 452416674 /nfs/dbraw/zinc/41/66/74/452416674.db2.gz DXNILOGINFWCCE-YESZJQIVSA-N 3 1 339.528 1.184 20 0 EDADMP Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665894904 452447799 /nfs/dbraw/zinc/44/77/99/452447799.db2.gz YURLVFTYURHWIA-AWEZNQCLSA-N 2 1 349.479 1.487 20 0 EDADMP Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665894904 452447804 /nfs/dbraw/zinc/44/78/04/452447804.db2.gz YURLVFTYURHWIA-AWEZNQCLSA-N 2 1 349.479 1.487 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659590838 452448213 /nfs/dbraw/zinc/44/82/13/452448213.db2.gz FSSXEOPFPQVGLL-ROUUACIJSA-N 2 1 346.450 1.832 20 0 EDADMP C[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)[C@H]1O ZINC000661628881 452450882 /nfs/dbraw/zinc/45/08/82/452450882.db2.gz VDFONONULZNHAU-JHDROBOHSA-N 2 1 333.476 1.354 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000645485116 452456515 /nfs/dbraw/zinc/45/65/15/452456515.db2.gz SHMNCENQUUKVAR-VQIMIIECSA-N 2 1 344.503 1.438 20 0 EDADMP CCO[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000659603173 452459388 /nfs/dbraw/zinc/45/93/88/452459388.db2.gz VEWDPWICAIOORY-HLLBOEOZSA-N 2 1 338.496 1.399 20 0 EDADMP O=C(NCC12CC(C1)C[NH2+]2)N1CC[NH+](CCc2cccs2)CC1 ZINC000659617282 452475888 /nfs/dbraw/zinc/47/58/88/452475888.db2.gz SIDDROCMEMAKTC-UHFFFAOYSA-N 2 1 334.489 1.370 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000659624537 452482861 /nfs/dbraw/zinc/48/28/61/452482861.db2.gz OYLIJVJLJBEVGR-GOSISDBHSA-N 2 1 332.492 1.930 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)NCC3CCCCC3)C2)C1 ZINC000652345639 452520715 /nfs/dbraw/zinc/52/07/15/452520715.db2.gz HHEXXLFJVCZSDN-KZNAEPCWSA-N 2 1 337.508 1.901 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346346 452520907 /nfs/dbraw/zinc/52/09/07/452520907.db2.gz ZFLSCWUWZLXISV-BSDSXHPESA-N 2 1 337.508 1.996 20 0 EDADMP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349358 452524687 /nfs/dbraw/zinc/52/46/87/452524687.db2.gz LWEDZPNPGFHJIW-YVECIDJPSA-N 2 1 337.386 1.272 20 0 EDADMP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349358 452524703 /nfs/dbraw/zinc/52/47/03/452524703.db2.gz LWEDZPNPGFHJIW-YVECIDJPSA-N 2 1 337.386 1.272 20 0 EDADMP Cc1ccccc1CNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361431 452542382 /nfs/dbraw/zinc/54/23/82/452542382.db2.gz HFYPLULDSKFMOH-IPMKNSEASA-N 2 1 345.487 1.972 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)n1C ZINC000654479220 452547822 /nfs/dbraw/zinc/54/78/22/452547822.db2.gz SFQPITILPJTFFN-LSDHHAIUSA-N 2 1 334.468 1.302 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)n1C ZINC000654479220 452547827 /nfs/dbraw/zinc/54/78/27/452547827.db2.gz SFQPITILPJTFFN-LSDHHAIUSA-N 2 1 334.468 1.302 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC2CC[NH+]([C@H]3CCOC3)CC2)CCCO1 ZINC000655760073 452560820 /nfs/dbraw/zinc/56/08/20/452560820.db2.gz WVDFHNDVLKGOFT-WMZOPIPTSA-N 3 1 325.497 1.330 20 0 EDADMP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835178 452571526 /nfs/dbraw/zinc/57/15/26/452571526.db2.gz PZSYMEVKZHVFBS-CCLIWJKGSA-N 2 1 348.535 1.297 20 0 EDADMP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835178 452571537 /nfs/dbraw/zinc/57/15/37/452571537.db2.gz PZSYMEVKZHVFBS-CCLIWJKGSA-N 2 1 348.535 1.297 20 0 EDADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)Cn3cncn3)CC2)oc1C ZINC000657881234 452587943 /nfs/dbraw/zinc/58/79/43/452587943.db2.gz ZNYGOXJREHEFTG-CYBMUJFWSA-N 2 1 332.452 1.773 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000659719938 452611362 /nfs/dbraw/zinc/61/13/62/452611362.db2.gz NQHVJYOLTSBAJQ-INIZCTEOSA-N 2 1 338.496 1.016 20 0 EDADMP COC[C@@H](CC1CCOCC1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000657992432 452667695 /nfs/dbraw/zinc/66/76/95/452667695.db2.gz JXBJRGSLQSESSP-FUHWJXTLSA-N 2 1 328.497 1.909 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)c1 ZINC000655920866 452684831 /nfs/dbraw/zinc/68/48/31/452684831.db2.gz LKFZRHALRQMSNG-LLVKDONJSA-N 2 1 331.342 1.111 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655924875 452691932 /nfs/dbraw/zinc/69/19/32/452691932.db2.gz SCXBPUBKZFRGER-XBFCOCLRSA-N 2 1 344.381 1.696 20 0 EDADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)Cn1cncn1 ZINC000658034594 452695909 /nfs/dbraw/zinc/69/59/09/452695909.db2.gz JVJKGCMVKLMLLN-QXAKKESOSA-N 2 1 343.475 1.793 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)Cn1cncn1 ZINC000658034594 452695914 /nfs/dbraw/zinc/69/59/14/452695914.db2.gz JVJKGCMVKLMLLN-QXAKKESOSA-N 2 1 343.475 1.793 20 0 EDADMP O=C(NCCC[NH2+]Cc1cccnc1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655962558 452744249 /nfs/dbraw/zinc/74/42/49/452744249.db2.gz ONTYOMRPICAQCM-ROUUACIJSA-N 2 1 345.491 1.877 20 0 EDADMP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139673 452748948 /nfs/dbraw/zinc/74/89/48/452748948.db2.gz QXFXBPQCRPZTAU-PBHICJAKSA-N 2 1 340.489 1.166 20 0 EDADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000643902373 452802230 /nfs/dbraw/zinc/80/22/30/452802230.db2.gz GEFZPPKIBDAPJA-HNNXBMFYSA-N 2 1 348.447 1.207 20 0 EDADMP CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1CCCCC1 ZINC000652699285 452849444 /nfs/dbraw/zinc/84/94/44/452849444.db2.gz UNHLRRATNGMFOE-MRXNPFEDSA-N 2 1 340.512 1.247 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000654749389 452880831 /nfs/dbraw/zinc/88/08/31/452880831.db2.gz OXXOBXDVVNBGOU-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000654749389 452880837 /nfs/dbraw/zinc/88/08/37/452880837.db2.gz OXXOBXDVVNBGOU-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000654749389 452880845 /nfs/dbraw/zinc/88/08/45/452880845.db2.gz OXXOBXDVVNBGOU-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CCc2ccccc21 ZINC000662151485 452886298 /nfs/dbraw/zinc/88/62/98/452886298.db2.gz IEXJYAHNSKVJEF-SFHVURJKSA-N 2 1 343.471 1.497 20 0 EDADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CCc2ccccc21 ZINC000662151485 452886304 /nfs/dbraw/zinc/88/63/04/452886304.db2.gz IEXJYAHNSKVJEF-SFHVURJKSA-N 2 1 343.471 1.497 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)C1 ZINC000659980126 452889346 /nfs/dbraw/zinc/88/93/46/452889346.db2.gz RFIUDUDFOSWTDT-BSDSXHPESA-N 2 1 337.508 1.866 20 0 EDADMP COc1cc2[nH+]c(NC[C@H]3C[C@@H]([NH+](C)C)C3)nc(N)c2cc1OC ZINC000656211616 452964763 /nfs/dbraw/zinc/96/47/63/452964763.db2.gz HVTFSTIBCFVRNP-PHIMTYICSA-N 2 1 331.420 1.981 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664299246 452977255 /nfs/dbraw/zinc/97/72/55/452977255.db2.gz ZWBGIGHFPKETHZ-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CCOc1ccc(N2CC[NH+](CCCn3cc[nH+]c3C)CC2)nn1 ZINC000662253362 452980103 /nfs/dbraw/zinc/98/01/03/452980103.db2.gz TVDPXTXFYSHSJT-UHFFFAOYSA-N 2 1 330.436 1.593 20 0 EDADMP CO[C@@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000660071696 452987334 /nfs/dbraw/zinc/98/73/34/452987334.db2.gz MCWPHIAOAAHZCL-SFHVURJKSA-N 2 1 337.508 1.678 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000660075991 452990678 /nfs/dbraw/zinc/99/06/78/452990678.db2.gz DQEDALFADMAGOV-CQSZACIVSA-N 2 1 334.445 1.697 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CCCCCC[C@H]3[NH3+])CC2)C1 ZINC000646002828 452998090 /nfs/dbraw/zinc/99/80/90/452998090.db2.gz GTPQVNRVPQHFBN-OKZBNKHCSA-N 2 1 336.524 1.523 20 0 EDADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000646002972 452999630 /nfs/dbraw/zinc/99/96/30/452999630.db2.gz LTMAIGYIMHHTMI-SJLPKXTDSA-N 2 1 330.476 1.233 20 0 EDADMP O=C(CC[NH2+]C1(CO)CC[NH2+]CC1)N[C@@H]1CCCc2ccccc21 ZINC000662286271 453012340 /nfs/dbraw/zinc/01/23/40/453012340.db2.gz XJSPDNCUVFBDMX-QGZVFWFLSA-N 2 1 331.460 1.274 20 0 EDADMP Cc1ncccc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337620 453056173 /nfs/dbraw/zinc/05/61/73/453056173.db2.gz MDROASKRDCEAFZ-KRWDZBQOSA-N 2 1 340.475 1.902 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000662382412 453092034 /nfs/dbraw/zinc/09/20/34/453092034.db2.gz KEEQJYMDOAUDCE-HNNXBMFYSA-N 2 1 340.512 1.104 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000662384812 453095191 /nfs/dbraw/zinc/09/51/91/453095191.db2.gz XEXSBVYJTBHMAN-SFHVURJKSA-N 2 1 332.492 1.438 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662406748 453117998 /nfs/dbraw/zinc/11/79/98/453117998.db2.gz JSIITRXFRHLMNX-XGUBFFRZSA-N 2 1 333.480 1.583 20 0 EDADMP C[NH2+]C1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662416136 453126197 /nfs/dbraw/zinc/12/61/97/453126197.db2.gz UMMANPWIJNQMSD-ZDUSSCGKSA-N 2 1 326.238 1.659 20 0 EDADMP CC(C)(CNC(=O)C[N@H+]1CCCC[C@@H]1C1CCC1)N1CCOCC1 ZINC000646137439 453145452 /nfs/dbraw/zinc/14/54/52/453145452.db2.gz GNBVRCRSVAKODD-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC([C@@H]4CCOC4)C3)CC2)CC1 ZINC000655041735 453160968 /nfs/dbraw/zinc/16/09/68/453160968.db2.gz XMCDUIRLQZFFSZ-QGZVFWFLSA-N 2 1 349.519 1.678 20 0 EDADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000646189608 453202969 /nfs/dbraw/zinc/20/29/69/453202969.db2.gz XOXXQYHBMMCELL-FUHWJXTLSA-N 2 1 328.460 1.738 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC[C@@H]21 ZINC000662502071 453217639 /nfs/dbraw/zinc/21/76/39/453217639.db2.gz HNQBXEDNMNJQNG-HOCLYGCPSA-N 2 1 332.448 1.698 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000666926812 453255746 /nfs/dbraw/zinc/25/57/46/453255746.db2.gz ZDBXKCBOGPPSFY-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000660403541 453277267 /nfs/dbraw/zinc/27/72/67/453277267.db2.gz DAVYKGCRHHUFKU-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000660403541 453277272 /nfs/dbraw/zinc/27/72/72/453277272.db2.gz DAVYKGCRHHUFKU-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000660403541 453277278 /nfs/dbraw/zinc/27/72/78/453277278.db2.gz DAVYKGCRHHUFKU-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP c1cc(NCC2CC[NH+](CC3CC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000664645873 453282999 /nfs/dbraw/zinc/28/29/99/453282999.db2.gz DNCYJUBUZGZQPS-UHFFFAOYSA-N 2 1 331.464 1.847 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000662592235 453319338 /nfs/dbraw/zinc/31/93/38/453319338.db2.gz IICFEEFMOUBABE-KBPBESRZSA-N 2 1 334.468 1.053 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662594524 453321022 /nfs/dbraw/zinc/32/10/22/453321022.db2.gz VCGCQXJNZOIYTO-ZDUSSCGKSA-N 2 1 334.468 1.053 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000664758518 453381421 /nfs/dbraw/zinc/38/14/21/453381421.db2.gz OQQHDRFSKDDXOL-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000664758518 453381426 /nfs/dbraw/zinc/38/14/26/453381426.db2.gz OQQHDRFSKDDXOL-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000664758518 453381429 /nfs/dbraw/zinc/38/14/29/453381429.db2.gz OQQHDRFSKDDXOL-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298669 453421490 /nfs/dbraw/zinc/42/14/90/453421490.db2.gz CFXQZLSRPRYBHF-ZWKOTPCHSA-N 2 1 329.444 1.173 20 0 EDADMP C[N@@H+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)[C@H](Cc2ccccc2)C1 ZINC000653254736 453436948 /nfs/dbraw/zinc/43/69/48/453436948.db2.gz ZCHPIMXCIMJGEZ-DLBZAZTESA-N 2 1 333.501 1.467 20 0 EDADMP C[N@H+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)[C@H](Cc2ccccc2)C1 ZINC000653254736 453436956 /nfs/dbraw/zinc/43/69/56/453436956.db2.gz ZCHPIMXCIMJGEZ-DLBZAZTESA-N 2 1 333.501 1.467 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000662717926 453442146 /nfs/dbraw/zinc/44/21/46/453442146.db2.gz DVABZGUNBBZGMD-VDHUWJSZSA-N 2 1 331.460 1.520 20 0 EDADMP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000660667982 453502243 /nfs/dbraw/zinc/50/22/43/453502243.db2.gz BHKLHNKCQXIQNW-SFHVURJKSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655448206 453535398 /nfs/dbraw/zinc/53/53/98/453535398.db2.gz VOCMTAZHPFPGIR-YJBOKZPZSA-N 2 1 330.432 1.515 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000665049017 453553616 /nfs/dbraw/zinc/55/36/16/453553616.db2.gz ZOKYRBQWUGXKKW-RRFJBIMHSA-N 2 1 336.484 1.460 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000665049017 453553620 /nfs/dbraw/zinc/55/36/20/453553620.db2.gz ZOKYRBQWUGXKKW-RRFJBIMHSA-N 2 1 336.484 1.460 20 0 EDADMP CN(C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000667338774 453568946 /nfs/dbraw/zinc/56/89/46/453568946.db2.gz QNJRIWWORWCIDU-GOSISDBHSA-N 2 1 334.508 1.987 20 0 EDADMP [NH3+]C1(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC2(CCC2)C1 ZINC000662860647 453575645 /nfs/dbraw/zinc/57/56/45/453575645.db2.gz SOSOQLFHOZAZQH-QGZVFWFLSA-N 2 1 343.471 1.531 20 0 EDADMP [NH3+]Cc1ccc(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000662860709 453576271 /nfs/dbraw/zinc/57/62/71/453576271.db2.gz UOHSUUZLGJXBHQ-LJQANCHMSA-N 2 1 339.439 1.642 20 0 EDADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662860706 453576360 /nfs/dbraw/zinc/57/63/60/453576360.db2.gz ULMWNAADZQMGRC-ROUUACIJSA-N 2 1 347.503 1.894 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000662869039 453581064 /nfs/dbraw/zinc/58/10/64/453581064.db2.gz VRCCDKQRPIIYGU-BMGDILEWSA-N 2 1 348.466 1.023 20 0 EDADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000660847633 453605536 /nfs/dbraw/zinc/60/55/36/453605536.db2.gz CLWVYYVDDGMLFR-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H]1COCCN1CCNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660855211 453611795 /nfs/dbraw/zinc/61/17/95/453611795.db2.gz LOIPTKZPTCMDMH-NVXWUHKLSA-N 2 1 338.496 1.128 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659091463 453625401 /nfs/dbraw/zinc/62/54/01/453625401.db2.gz NNMDLQVWGZMEGX-OAHLLOKOSA-N 2 1 346.475 1.581 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659095329 453627971 /nfs/dbraw/zinc/62/79/71/453627971.db2.gz CEOWNHGRGXXELQ-CQSZACIVSA-N 2 1 332.448 1.381 20 0 EDADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665290831 453636934 /nfs/dbraw/zinc/63/69/34/453636934.db2.gz LZCXFJAGEZHZNY-NSHDSACASA-N 2 1 345.403 1.156 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000665289864 453637161 /nfs/dbraw/zinc/63/71/61/453637161.db2.gz ZHPCPBLVWGAANG-LPHOPBHVSA-N 2 1 346.519 1.525 20 0 EDADMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc2c(c1)CCC(=O)N2 ZINC000665290850 453637933 /nfs/dbraw/zinc/63/79/33/453637933.db2.gz MRNUWEMREZBVEE-JTQLQIEISA-N 2 1 327.388 1.376 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnnn1C1CC[NH2+]CC1 ZINC000663002726 453643226 /nfs/dbraw/zinc/64/32/26/453643226.db2.gz IDSPLJDKPCURQE-HNNXBMFYSA-N 2 1 346.479 1.054 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657349176 453770663 /nfs/dbraw/zinc/77/06/63/453770663.db2.gz DSJOQDYPHINZBS-CQSZACIVSA-N 2 1 332.473 1.973 20 0 EDADMP CCc1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000663362743 453779041 /nfs/dbraw/zinc/77/90/41/453779041.db2.gz CSESOZJEROVALF-MOPGFXCFSA-N 2 1 348.487 1.832 20 0 EDADMP CCc1cccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000663362749 453779409 /nfs/dbraw/zinc/77/94/09/453779409.db2.gz CSESOZJEROVALF-RTBURBONSA-N 2 1 348.487 1.832 20 0 EDADMP CC(C)[NH+](CCNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C(C)C ZINC000663421031 453793410 /nfs/dbraw/zinc/79/34/10/453793410.db2.gz WJZRUMGJAPDQAH-QGZVFWFLSA-N 2 1 340.512 1.346 20 0 EDADMP CCN(C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000663453029 453802515 /nfs/dbraw/zinc/80/25/15/453802515.db2.gz WZOIPHUGURMAAV-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP CCN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C)C1 ZINC000663453029 453802517 /nfs/dbraw/zinc/80/25/17/453802517.db2.gz WZOIPHUGURMAAV-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP CCN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C)C1 ZINC000663453029 453802520 /nfs/dbraw/zinc/80/25/20/453802520.db2.gz WZOIPHUGURMAAV-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000683260332 486670229 /nfs/dbraw/zinc/67/02/29/486670229.db2.gz LARWOKWCWJPHEO-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000683260332 486670231 /nfs/dbraw/zinc/67/02/31/486670231.db2.gz LARWOKWCWJPHEO-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676242711 486702069 /nfs/dbraw/zinc/70/20/69/486702069.db2.gz ZVWJUZZRWVBOMI-HUUCEWRRSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676242711 486702073 /nfs/dbraw/zinc/70/20/73/486702073.db2.gz ZVWJUZZRWVBOMI-HUUCEWRRSA-N 2 1 326.485 1.269 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000683390069 486704171 /nfs/dbraw/zinc/70/41/71/486704171.db2.gz SEHJEGRKYCLZNL-SFHVURJKSA-N 2 1 343.475 1.930 20 0 EDADMP CC(C)OCC[NH+]1CCC(Nc2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676311807 486732933 /nfs/dbraw/zinc/73/29/33/486732933.db2.gz MJTKWRMRWMPHMY-UHFFFAOYSA-N 2 1 349.479 1.615 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000676502126 486788475 /nfs/dbraw/zinc/78/84/75/486788475.db2.gz OINZJMXFJJKELN-BRWVUGGUSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000676502126 486788482 /nfs/dbraw/zinc/78/84/82/486788482.db2.gz OINZJMXFJJKELN-BRWVUGGUSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000676502126 486788488 /nfs/dbraw/zinc/78/84/88/486788488.db2.gz OINZJMXFJJKELN-BRWVUGGUSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000676502126 486788495 /nfs/dbraw/zinc/78/84/95/486788495.db2.gz OINZJMXFJJKELN-BRWVUGGUSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000683895152 486856505 /nfs/dbraw/zinc/85/65/05/486856505.db2.gz GRQOTWGALNWSLK-AWEZNQCLSA-N 2 1 345.422 1.718 20 0 EDADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN1CCN(C)CC1 ZINC000681122669 486945320 /nfs/dbraw/zinc/94/53/20/486945320.db2.gz LAAOSFZQBDMKRQ-LJQANCHMSA-N 2 1 346.519 1.507 20 0 EDADMP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN1CC[NH+](C)CC1 ZINC000681122669 486945324 /nfs/dbraw/zinc/94/53/24/486945324.db2.gz LAAOSFZQBDMKRQ-LJQANCHMSA-N 2 1 346.519 1.507 20 0 EDADMP C[NH+]1CCC([C@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC000677332254 487046700 /nfs/dbraw/zinc/04/67/00/487046700.db2.gz ARDSVRYRJUIJCP-ZWKOTPCHSA-N 2 1 334.508 1.844 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cn1 ZINC000677489215 487101366 /nfs/dbraw/zinc/10/13/66/487101366.db2.gz NRFMXFYAHPDACS-QGZVFWFLSA-N 2 1 342.447 1.753 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cn1 ZINC000677489215 487101371 /nfs/dbraw/zinc/10/13/71/487101371.db2.gz NRFMXFYAHPDACS-QGZVFWFLSA-N 2 1 342.447 1.753 20 0 EDADMP COC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCOCC1 ZINC000682134550 487308432 /nfs/dbraw/zinc/30/84/32/487308432.db2.gz YLSSTYCBQKALJG-ROUUACIJSA-N 2 1 326.481 1.661 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682166776 487312529 /nfs/dbraw/zinc/31/25/29/487312529.db2.gz HBMBYYHEXSDURJ-QGZVFWFLSA-N 2 1 349.519 1.904 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000685759808 487319492 /nfs/dbraw/zinc/31/94/92/487319492.db2.gz RUEKZWWDPWPFMF-ZDUSSCGKSA-N 2 1 344.419 1.051 20 0 EDADMP O[C@@H](C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C[NH+]1CCCC1 ZINC000678895843 487376990 /nfs/dbraw/zinc/37/69/90/487376990.db2.gz UBXAWPQFBAWZFY-QFBILLFUSA-N 2 1 332.444 1.955 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675194505 487387649 /nfs/dbraw/zinc/38/76/49/487387649.db2.gz OTCDXVFPGMEMKY-SJORKVTESA-N 2 1 338.496 1.367 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)NC/C=C\C[NH3+])C2)cc(OC)c1 ZINC000669526082 485496760 /nfs/dbraw/zinc/49/67/60/485496760.db2.gz XXNJOYMSYSPYEU-JZIMQPMSSA-N 2 1 348.447 1.092 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)NC/C=C\C[NH3+])C2)cc(OC)c1 ZINC000669526082 485496764 /nfs/dbraw/zinc/49/67/64/485496764.db2.gz XXNJOYMSYSPYEU-JZIMQPMSSA-N 2 1 348.447 1.092 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000668963054 485499259 /nfs/dbraw/zinc/49/92/59/485499259.db2.gz ZGNCPGZNMMYOPY-RBSFLKMASA-N 2 1 326.485 1.316 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000669538611 485520284 /nfs/dbraw/zinc/52/02/84/485520284.db2.gz ZKAFNDQYFZKJDF-VVLHAWIVSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538611 485520291 /nfs/dbraw/zinc/52/02/91/485520291.db2.gz ZKAFNDQYFZKJDF-VVLHAWIVSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046372921 485637496 /nfs/dbraw/zinc/63/74/96/485637496.db2.gz COCSVIJCFMXCNG-VVLHAWIVSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H](CNC(=O)NCC[N@H+]1CCCC[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046372921 485637500 /nfs/dbraw/zinc/63/75/00/485637500.db2.gz COCSVIJCFMXCNG-VVLHAWIVSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCCC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046372921 485637506 /nfs/dbraw/zinc/63/75/06/485637506.db2.gz COCSVIJCFMXCNG-VVLHAWIVSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCCC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046372921 485637509 /nfs/dbraw/zinc/63/75/09/485637509.db2.gz COCSVIJCFMXCNG-VVLHAWIVSA-N 2 1 340.512 1.658 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000343921040 485939642 /nfs/dbraw/zinc/93/96/42/485939642.db2.gz SRCLDWNWARTNFZ-SJORKVTESA-N 2 1 334.464 1.445 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000344373043 485946159 /nfs/dbraw/zinc/94/61/59/485946159.db2.gz FWIODRKAPNDHHQ-NXHRZFHOSA-N 2 1 337.508 1.581 20 0 EDADMP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000668688092 486047822 /nfs/dbraw/zinc/04/78/22/486047822.db2.gz KAMFXGPZSZASPA-KRWDZBQOSA-N 2 1 348.491 1.815 20 0 EDADMP CC[N@H+](C)CCNC(=O)N[C@H](C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607410155 486054668 /nfs/dbraw/zinc/05/46/68/486054668.db2.gz YKUDITFJGVJFTE-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP CC[N@@H+](C)CCNC(=O)N[C@H](C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607410155 486054676 /nfs/dbraw/zinc/05/46/76/486054676.db2.gz YKUDITFJGVJFTE-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP CC[NH+](C)CCNC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607410155 486054682 /nfs/dbraw/zinc/05/46/82/486054682.db2.gz YKUDITFJGVJFTE-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP CC[NH+](C)CCNC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607410155 486054689 /nfs/dbraw/zinc/05/46/89/486054689.db2.gz YKUDITFJGVJFTE-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000174993475 486208521 /nfs/dbraw/zinc/20/85/21/486208521.db2.gz UXMMIFAJDBEJSF-HZMVEIRTSA-N 2 1 338.496 1.364 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH2+]2)[C@@H](C)C1 ZINC000669486242 486252208 /nfs/dbraw/zinc/25/22/08/486252208.db2.gz INAHWBNLMJGETC-BBWFWOEESA-N 2 1 340.512 1.565 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000669486303 486252840 /nfs/dbraw/zinc/25/28/40/486252840.db2.gz VQJDRGZBFUAUKX-HOCLYGCPSA-N 2 1 326.485 1.175 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000669491360 486263644 /nfs/dbraw/zinc/26/36/44/486263644.db2.gz WPWLIAAAOODYSX-IAGOWNOFSA-N 2 1 334.508 1.890 20 0 EDADMP CO[C@@H]1CC[C@@H]2OCCN(C[C@@H](O)C[N@@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000305359992 491011069 /nfs/dbraw/zinc/01/10/69/491011069.db2.gz SXTCKXOSERKVJP-YRPNKDGESA-N 2 1 348.487 1.748 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1C1CC1 ZINC000127606935 491016778 /nfs/dbraw/zinc/01/67/78/491016778.db2.gz JBVFJURHNPATQT-GJZGRUSLSA-N 2 1 329.448 1.538 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](CC)CC)C[C@H]1[NH+]1CCOCC1 ZINC000426017375 491167617 /nfs/dbraw/zinc/16/76/17/491167617.db2.gz ZNNRRYBIPQLZQK-GVDBMIGSSA-N 2 1 340.512 1.469 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000416825880 500864710 /nfs/dbraw/zinc/86/47/10/500864710.db2.gz BHUSBRMDEKDWTQ-IMJJTQAJSA-N 2 1 334.464 1.595 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000168514220 533893263 /nfs/dbraw/zinc/89/32/63/533893263.db2.gz QBRSKUNVNNSXEG-NXHRZFHOSA-N 2 1 331.460 1.486 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1(C)C ZINC000188071610 527875109 /nfs/dbraw/zinc/87/51/09/527875109.db2.gz LSUDAUOYMAUCJZ-YLJYHZDGSA-N 2 1 345.487 1.693 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1(C)C ZINC000188071610 527875115 /nfs/dbraw/zinc/87/51/15/527875115.db2.gz LSUDAUOYMAUCJZ-YLJYHZDGSA-N 2 1 345.487 1.693 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000174457780 528199927 /nfs/dbraw/zinc/19/99/27/528199927.db2.gz SENWHZVMKNKDPT-SFHVURJKSA-N 2 1 333.476 1.865 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000174457780 528199929 /nfs/dbraw/zinc/19/99/29/528199929.db2.gz SENWHZVMKNKDPT-SFHVURJKSA-N 2 1 333.476 1.865 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000173746410 528808420 /nfs/dbraw/zinc/80/84/20/528808420.db2.gz BWGWCJURRIWXOW-WBVHZDCISA-N 2 1 325.497 1.534 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000131994298 529105007 /nfs/dbraw/zinc/10/50/07/529105007.db2.gz AJNRFXKRRYTHMS-INIZCTEOSA-N 2 1 349.479 1.306 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132977905 535050546 /nfs/dbraw/zinc/05/05/46/535050546.db2.gz MBWLRGRMDLKEIN-LJQANCHMSA-N 2 1 347.503 1.934 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132977905 535050550 /nfs/dbraw/zinc/05/05/50/535050550.db2.gz MBWLRGRMDLKEIN-LJQANCHMSA-N 2 1 347.503 1.934 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000339612016 535066431 /nfs/dbraw/zinc/06/64/31/535066431.db2.gz HJQNKIGSISWQPN-CVEARBPZSA-N 2 1 340.512 1.020 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000332101502 535257052 /nfs/dbraw/zinc/25/70/52/535257052.db2.gz FBBORQRUODNBOW-CVEARBPZSA-N 2 1 333.480 1.819 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000332101502 535257057 /nfs/dbraw/zinc/25/70/57/535257057.db2.gz FBBORQRUODNBOW-CVEARBPZSA-N 2 1 333.480 1.819 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090511935 535515624 /nfs/dbraw/zinc/51/56/24/535515624.db2.gz AIHDNWVXZNIJBW-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090511935 535515629 /nfs/dbraw/zinc/51/56/29/535515629.db2.gz AIHDNWVXZNIJBW-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)cc1 ZINC000262382336 535555905 /nfs/dbraw/zinc/55/59/05/535555905.db2.gz XDXBQYMKCCFDJT-PBHICJAKSA-N 2 1 335.448 1.723 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000346996086 535714541 /nfs/dbraw/zinc/71/45/41/535714541.db2.gz VMRJXJZBUDHUJU-CVEARBPZSA-N 2 1 326.529 1.543 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)C)CC2)[C@H](C)C1 ZINC000347418211 535768013 /nfs/dbraw/zinc/76/80/13/535768013.db2.gz JYJKGZLYHHWKPV-ZBFHGGJFSA-N 2 1 331.526 1.509 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246420494 535889868 /nfs/dbraw/zinc/88/98/68/535889868.db2.gz NDWWKJQZEAQCSF-MOPGFXCFSA-N 2 1 344.503 1.694 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246420494 535889873 /nfs/dbraw/zinc/88/98/73/535889873.db2.gz NDWWKJQZEAQCSF-MOPGFXCFSA-N 3 1 344.503 1.694 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246420494 535889876 /nfs/dbraw/zinc/88/98/76/535889876.db2.gz NDWWKJQZEAQCSF-MOPGFXCFSA-N 3 1 344.503 1.694 20 0 EDADMP COc1cc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000347094604 536750160 /nfs/dbraw/zinc/75/01/60/536750160.db2.gz HZOKPNWNEFUISV-MRXNPFEDSA-N 2 1 347.459 1.348 20 0 EDADMP COCC1(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000262309730 536808089 /nfs/dbraw/zinc/80/80/89/536808089.db2.gz AFIFCGBORCGIST-HNNXBMFYSA-N 2 1 325.497 1.629 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000743978491 579496037 /nfs/dbraw/zinc/49/60/37/579496037.db2.gz JDTGKVCRLQWZMV-AWEZNQCLSA-N 2 1 332.448 1.287 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCN2CCO[C@H](C)C2)C1 ZINC000729605798 578584426 /nfs/dbraw/zinc/58/44/26/578584426.db2.gz MIPGWNDVVNOKDP-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000729929381 578604223 /nfs/dbraw/zinc/60/42/23/578604223.db2.gz UBDHWUYDWQHDGD-INIZCTEOSA-N 2 1 348.447 1.194 20 0 EDADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000729929381 578604224 /nfs/dbraw/zinc/60/42/24/578604224.db2.gz UBDHWUYDWQHDGD-INIZCTEOSA-N 2 1 348.447 1.194 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760488356 580031873 /nfs/dbraw/zinc/03/18/73/580031873.db2.gz SAPOLTRRIGEQGK-MRXNPFEDSA-N 2 1 326.554 1.866 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COC1(C)CCC1 ZINC000746149439 579574006 /nfs/dbraw/zinc/57/40/06/579574006.db2.gz FHGGCLLFRMBLQU-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP C[NH+]1CCC(NC(=S)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000763137338 580093741 /nfs/dbraw/zinc/09/37/41/580093741.db2.gz HEZFPVCNBXFVFA-HZPDHXFCSA-N 2 1 340.537 1.188 20 0 EDADMP Cc1ccccc1[C@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764479207 580121416 /nfs/dbraw/zinc/12/14/16/580121416.db2.gz MHWJYQLMVMGXRU-YZGWKJHDSA-N 2 1 331.504 1.986 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771036663 580277934 /nfs/dbraw/zinc/27/79/34/580277934.db2.gz AKGXNMGAHXNFFS-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP CO[C@H](C)c1nc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)cs1 ZINC000779652907 580493160 /nfs/dbraw/zinc/49/31/60/580493160.db2.gz JXBBTHJDTCNLAZ-YPMHNXCESA-N 2 1 342.465 1.958 20 0 EDADMP CO[C@H](C)c1nc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)cs1 ZINC000779652907 580493161 /nfs/dbraw/zinc/49/31/61/580493161.db2.gz JXBBTHJDTCNLAZ-YPMHNXCESA-N 2 1 342.465 1.958 20 0 EDADMP COC(=O)[C@@H]1CC(=O)N(C[NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000782269522 580570280 /nfs/dbraw/zinc/57/02/80/580570280.db2.gz AFRMMLOAABZNCW-OAHLLOKOSA-N 2 1 325.453 1.019 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000788894509 580731930 /nfs/dbraw/zinc/73/19/30/580731930.db2.gz QEEIMXWKZNFQML-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000788894509 580731931 /nfs/dbraw/zinc/73/19/31/580731931.db2.gz QEEIMXWKZNFQML-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@]3(C1)CCCOC3)C[NH+]1CCC2CC1 ZINC000789545467 580749103 /nfs/dbraw/zinc/74/91/03/580749103.db2.gz LRQPZBACXSXRIK-ZWKOTPCHSA-N 2 1 335.448 1.363 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CC[C@]3(C1)CCCOC3)C[NH+]1CCC2CC1 ZINC000789545467 580749104 /nfs/dbraw/zinc/74/91/04/580749104.db2.gz LRQPZBACXSXRIK-ZWKOTPCHSA-N 2 1 335.448 1.363 20 0 EDADMP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000796575041 580956874 /nfs/dbraw/zinc/95/68/74/580956874.db2.gz JFSSDLORDSIYAG-CQSZACIVSA-N 2 1 347.415 1.448 20 0 EDADMP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000800408604 581052457 /nfs/dbraw/zinc/05/24/57/581052457.db2.gz YNHUJKRLVBFQHT-IBGZPJMESA-N 2 1 329.488 1.970 20 0 EDADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000891854522 590656248 /nfs/dbraw/zinc/65/62/48/590656248.db2.gz CIPQGRSUIGWSBY-BBWFWOEESA-N 2 1 348.516 1.641 20 0 EDADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000891854522 590656250 /nfs/dbraw/zinc/65/62/50/590656250.db2.gz CIPQGRSUIGWSBY-BBWFWOEESA-N 2 1 348.516 1.641 20 0 EDADMP C[N@@H+](CCCNC(=O)NCC[NH+]1CCC(O)CC1)C1CCCCC1 ZINC000891893404 590675530 /nfs/dbraw/zinc/67/55/30/590675530.db2.gz NXSLLSRYYOMATR-UHFFFAOYSA-N 2 1 340.512 1.397 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000891917083 590688024 /nfs/dbraw/zinc/68/80/24/590688024.db2.gz GJCRIHMAGZHNNU-MRXNPFEDSA-N 2 1 338.496 1.320 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)NCCc3cn4c(n3)CCCC4)C[C@]2(C)C1 ZINC000891990614 590731202 /nfs/dbraw/zinc/73/12/02/590731202.db2.gz XLBIWRJDQWSBHC-KDOFPFPSSA-N 2 1 331.464 1.355 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000893249411 590735091 /nfs/dbraw/zinc/73/50/91/590735091.db2.gz QWHSWCNTFJMOMK-IAGOWNOFSA-N 2 1 338.496 1.101 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000892050835 590774478 /nfs/dbraw/zinc/77/44/78/590774478.db2.gz HDBAPFFCSKDZLC-QGZVFWFLSA-N 2 1 334.464 1.105 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000892144033 590819975 /nfs/dbraw/zinc/81/99/75/590819975.db2.gz GXIOWDBSJBCANA-WXSAJPJJSA-N 2 1 330.476 1.886 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892342706 590970981 /nfs/dbraw/zinc/97/09/81/590970981.db2.gz MLTGIHDSSUVOOB-KSSFIOAISA-N 2 1 330.476 1.814 20 0 EDADMP C[NH+]1CCN([C@@H](C[NH2+]C[C@H]2COC(C)(C)O2)c2cccs2)CC1 ZINC000892421102 591021063 /nfs/dbraw/zinc/02/10/63/591021063.db2.gz CGBXFMQOMGXHTR-GJZGRUSLSA-N 2 1 339.505 1.778 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000892479720 591041724 /nfs/dbraw/zinc/04/17/24/591041724.db2.gz LQFYPITYOQQSDJ-INIZCTEOSA-N 2 1 348.491 1.768 20 0 EDADMP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000892588118 591083532 /nfs/dbraw/zinc/08/35/32/591083532.db2.gz VXLAHXOUAAMHSM-ORQFMDKSSA-N 2 1 329.448 1.268 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891494156 591093590 /nfs/dbraw/zinc/09/35/90/591093590.db2.gz IJHSQHWAIZYCBL-LSDHHAIUSA-N 2 1 326.485 1.175 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891540070 591116923 /nfs/dbraw/zinc/11/69/23/591116923.db2.gz LSLNFUUPBITCSK-GFCCVEGCSA-N 2 1 337.493 1.544 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891557627 591124353 /nfs/dbraw/zinc/12/43/53/591124353.db2.gz UBCBIOPDKIQOJZ-FGTMMUONSA-N 2 1 328.460 1.797 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891597457 591141849 /nfs/dbraw/zinc/14/18/49/591141849.db2.gz QIHPQKLRHBLDRH-INIZCTEOSA-N 2 1 349.479 1.430 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891642856 591164227 /nfs/dbraw/zinc/16/42/27/591164227.db2.gz AALSZADIGDBCBT-OWLYRPNTSA-N 2 1 330.476 1.934 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C[N@H+]1C1CC1 ZINC000891658960 591172324 /nfs/dbraw/zinc/17/23/24/591172324.db2.gz BXRYEWCSQDWTFA-DCQANWLSSA-N 2 1 334.386 1.390 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)CC[C@H]21 ZINC000892792615 591177971 /nfs/dbraw/zinc/17/79/71/591177971.db2.gz PRTWAGIXIKBKQO-KZNAEPCWSA-N 2 1 328.460 1.437 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000891698722 591189625 /nfs/dbraw/zinc/18/96/25/591189625.db2.gz VAESDMJVHGHGKA-VBQJREDUSA-N 2 1 326.485 1.112 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000891698722 591189628 /nfs/dbraw/zinc/18/96/28/591189628.db2.gz VAESDMJVHGHGKA-VBQJREDUSA-N 2 1 326.485 1.112 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)N3CCc4sc(C[NH3+])nc4C3)C2)C1 ZINC000892880029 591215467 /nfs/dbraw/zinc/21/54/67/591215467.db2.gz XVCXROKCZZDHRG-QGZVFWFLSA-N 2 1 349.504 1.498 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1=CC[N@@H+](C)CC1 ZINC000891766437 591216911 /nfs/dbraw/zinc/21/69/11/591216911.db2.gz UDQJOCRERCFCLH-UHTWSYAYSA-N 2 1 334.386 1.415 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000892944849 591233407 /nfs/dbraw/zinc/23/34/07/591233407.db2.gz OZPCAUZFFGTBQT-IKGGRYGDSA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892944849 591233410 /nfs/dbraw/zinc/23/34/10/591233410.db2.gz OZPCAUZFFGTBQT-IKGGRYGDSA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892944849 591233412 /nfs/dbraw/zinc/23/34/12/591233412.db2.gz OZPCAUZFFGTBQT-IKGGRYGDSA-N 2 1 338.496 1.101 20 0 EDADMP CC(C)(C)OC(=O)N1CC(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000894261411 591253821 /nfs/dbraw/zinc/25/38/21/591253821.db2.gz SYOWALMAFRBBAU-INIZCTEOSA-N 2 1 341.496 1.680 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000895899114 591299473 /nfs/dbraw/zinc/29/94/73/591299473.db2.gz FWASUTUBSBTYGK-BZSNNMDCSA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000895899114 591299474 /nfs/dbraw/zinc/29/94/74/591299474.db2.gz FWASUTUBSBTYGK-BZSNNMDCSA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000895899114 591299475 /nfs/dbraw/zinc/29/94/75/591299475.db2.gz FWASUTUBSBTYGK-BZSNNMDCSA-N 2 1 328.460 1.606 20 0 EDADMP CN(Cc1c2c(nn1C)CCC2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894460096 591318701 /nfs/dbraw/zinc/31/87/01/591318701.db2.gz SIVPTYRIWXVIQF-MRXNPFEDSA-N 2 1 331.508 1.509 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[NH+]3C3CCCCC3)C[C@H]2C1 ZINC000894587329 591354213 /nfs/dbraw/zinc/35/42/13/591354213.db2.gz ADIZNIMYJWKDTB-JZXOWHBKSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)C[C@H]2C1 ZINC000894587329 591354218 /nfs/dbraw/zinc/35/42/18/591354218.db2.gz ADIZNIMYJWKDTB-JZXOWHBKSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)C[C@H]2C1 ZINC000894587329 591354222 /nfs/dbraw/zinc/35/42/22/591354222.db2.gz ADIZNIMYJWKDTB-JZXOWHBKSA-N 2 1 334.508 1.987 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)CC23CCOCC3)cn1 ZINC000894708153 591393761 /nfs/dbraw/zinc/39/37/61/591393761.db2.gz TXCRRLBKRFLHKZ-SFHVURJKSA-N 2 1 332.492 1.958 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cccnc3C(F)F)C2)CC1 ZINC000896324408 591419396 /nfs/dbraw/zinc/41/93/96/591419396.db2.gz CUMHKAAOQKLNBP-GFCCVEGCSA-N 2 1 338.402 1.918 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000897436362 591423820 /nfs/dbraw/zinc/42/38/20/591423820.db2.gz XOKZORZQGLFDJJ-OAHLLOKOSA-N 2 1 326.485 1.080 20 0 EDADMP CN(C)Cc1cnc(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)s1 ZINC000896395148 591448885 /nfs/dbraw/zinc/44/88/85/591448885.db2.gz REFYKVOQUJPGNV-LRDDRELGSA-N 2 1 338.477 1.915 20 0 EDADMP CN(C)Cc1cnc(C[N@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)s1 ZINC000896395148 591448889 /nfs/dbraw/zinc/44/88/89/591448889.db2.gz REFYKVOQUJPGNV-LRDDRELGSA-N 2 1 338.477 1.915 20 0 EDADMP C[C@]1([C@H]2CCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)COC(=O)N1 ZINC000896396512 591449281 /nfs/dbraw/zinc/44/92/81/591449281.db2.gz ZSPKEASSTKJYCR-KBXCAEBGSA-N 2 1 341.415 1.978 20 0 EDADMP C[C@]1([C@H]2CCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)COC(=O)N1 ZINC000896396512 591449284 /nfs/dbraw/zinc/44/92/84/591449284.db2.gz ZSPKEASSTKJYCR-KBXCAEBGSA-N 2 1 341.415 1.978 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000897497864 591500600 /nfs/dbraw/zinc/50/06/00/591500600.db2.gz DCYMLZXUWYVMGS-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000897497864 591500603 /nfs/dbraw/zinc/50/06/03/591500603.db2.gz DCYMLZXUWYVMGS-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000897497864 591500605 /nfs/dbraw/zinc/50/06/05/591500605.db2.gz DCYMLZXUWYVMGS-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1 ZINC000896563514 591526419 /nfs/dbraw/zinc/52/64/19/591526419.db2.gz KYQPPBWCKZAMHT-WDSOQIARSA-N 2 1 346.519 1.820 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000895045941 591539349 /nfs/dbraw/zinc/53/93/49/591539349.db2.gz CTVWNHLLNQJGNA-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000896607869 591550594 /nfs/dbraw/zinc/55/05/94/591550594.db2.gz APXMBRPRWMZCOB-GJZGRUSLSA-N 2 1 342.553 1.795 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000899024404 591638699 /nfs/dbraw/zinc/63/86/99/591638699.db2.gz MYDPRDMBSOXQAO-UHFFFAOYSA-N 2 1 340.427 1.586 20 0 EDADMP CN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+](C)CC1 ZINC000897854393 591697174 /nfs/dbraw/zinc/69/71/74/591697174.db2.gz FQZXUXAFFKYJKY-UHFFFAOYSA-N 2 1 334.508 1.306 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@H]1c1ccccc1 ZINC000897240680 591782738 /nfs/dbraw/zinc/78/27/38/591782738.db2.gz NPZWDUBDZLECCY-OKZBNKHCSA-N 2 1 329.444 1.269 20 0 EDADMP c1nc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc(N2CCOCC2)n1 ZINC000895571643 591804412 /nfs/dbraw/zinc/80/44/12/591804412.db2.gz KMNXCMPJNJWGKK-UONOGXRCSA-N 2 1 335.477 1.305 20 0 EDADMP c1nc(N[C@H]2CCCN3CCSC[C@H]23)cc(N2CCOCC2)n1 ZINC000895571643 591804415 /nfs/dbraw/zinc/80/44/15/591804415.db2.gz KMNXCMPJNJWGKK-UONOGXRCSA-N 2 1 335.477 1.305 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000900065246 591892312 /nfs/dbraw/zinc/89/23/12/591892312.db2.gz GEQCQODJJRPKQJ-IEBWSBKVSA-N 2 1 331.460 1.349 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000900065246 591892315 /nfs/dbraw/zinc/89/23/15/591892315.db2.gz GEQCQODJJRPKQJ-IEBWSBKVSA-N 2 1 331.460 1.349 20 0 EDADMP C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)[C@@H](c2ccccc2)C1 ZINC000900065246 591892319 /nfs/dbraw/zinc/89/23/19/591892319.db2.gz GEQCQODJJRPKQJ-IEBWSBKVSA-N 2 1 331.460 1.349 20 0 EDADMP C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)[C@@H](c2ccccc2)C1 ZINC000900065246 591892323 /nfs/dbraw/zinc/89/23/23/591892323.db2.gz GEQCQODJJRPKQJ-IEBWSBKVSA-N 2 1 331.460 1.349 20 0 EDADMP O=C1C[C@H]([C@@H]2CCCO2)CN1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000902197381 591943419 /nfs/dbraw/zinc/94/34/19/591943419.db2.gz WSDBNPZDKILUDG-DKKFBQAASA-N 2 1 347.503 1.920 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000900214209 591944956 /nfs/dbraw/zinc/94/49/56/591944956.db2.gz BPIOVGSILHFQCK-MRXNPFEDSA-N 2 1 335.496 1.829 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(NCCn2ccnc2)cc1 ZINC000900371868 591999713 /nfs/dbraw/zinc/99/97/13/591999713.db2.gz JZLRMMHODWFQGZ-QGZVFWFLSA-N 2 1 339.443 1.962 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000900417456 592013241 /nfs/dbraw/zinc/01/32/41/592013241.db2.gz NTAKPHSQKAQIAI-LJQANCHMSA-N 2 1 337.508 1.604 20 0 EDADMP C[C@@H]1CN(C)C[C@@H](C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)O1 ZINC000902699865 592044978 /nfs/dbraw/zinc/04/49/78/592044978.db2.gz UTNPLUPILCBYAG-HFTRVMKXSA-N 2 1 329.444 1.717 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N2C[C@@H]3CCC[NH+]3Cc3ccccc32)O1 ZINC000902699865 592044980 /nfs/dbraw/zinc/04/49/80/592044980.db2.gz UTNPLUPILCBYAG-HFTRVMKXSA-N 2 1 329.444 1.717 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N2C[C@@H]3CCC[NH+]3Cc3ccccc32)O1 ZINC000902699865 592044982 /nfs/dbraw/zinc/04/49/82/592044982.db2.gz UTNPLUPILCBYAG-HFTRVMKXSA-N 2 1 329.444 1.717 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H](C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)O1 ZINC000902699865 592044985 /nfs/dbraw/zinc/04/49/85/592044985.db2.gz UTNPLUPILCBYAG-HFTRVMKXSA-N 2 1 329.444 1.717 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900671465 592090418 /nfs/dbraw/zinc/09/04/18/592090418.db2.gz BIIZUPPMGBPYME-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900710253 592101295 /nfs/dbraw/zinc/10/12/95/592101295.db2.gz LVKIFZXECCDUKB-DFEOGRTESA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900710253 592101298 /nfs/dbraw/zinc/10/12/98/592101298.db2.gz LVKIFZXECCDUKB-DFEOGRTESA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900710253 592101300 /nfs/dbraw/zinc/10/13/00/592101300.db2.gz LVKIFZXECCDUKB-DFEOGRTESA-N 2 1 337.508 1.555 20 0 EDADMP Cc1cc(N2CCC([NH2+][C@@H]3CCO[C@@]34CCOC4)CC2)nc(C)[nH+]1 ZINC000903107354 592120935 /nfs/dbraw/zinc/12/09/35/592120935.db2.gz RTYWZIRAZXXMOU-SJLPKXTDSA-N 2 1 332.448 1.600 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1Cc1n[nH]c(=O)n1C)C1CC[NH+](C)CC1 ZINC000903131498 592125712 /nfs/dbraw/zinc/12/57/12/592125712.db2.gz SOLQYQKLJUQMGD-FVQBIDKESA-N 2 1 335.496 1.942 20 0 EDADMP O=C1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@@H]([C@H]2CCCO2)N1 ZINC000903173275 592130382 /nfs/dbraw/zinc/13/03/82/592130382.db2.gz XYWTVGRTZINJNX-FOOGKFFMSA-N 2 1 333.476 1.560 20 0 EDADMP CC[C@@H](C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000900819023 592136823 /nfs/dbraw/zinc/13/68/23/592136823.db2.gz QTCVFDIKZCIOBR-NJAFHUGGSA-N 2 1 333.476 1.732 20 0 EDADMP CC[C@@H](C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000900819023 592136825 /nfs/dbraw/zinc/13/68/25/592136825.db2.gz QTCVFDIKZCIOBR-NJAFHUGGSA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000900824409 592138422 /nfs/dbraw/zinc/13/84/22/592138422.db2.gz LHDHHNUPWWVXMY-ROUUACIJSA-N 2 1 338.540 1.734 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000900824409 592138425 /nfs/dbraw/zinc/13/84/25/592138425.db2.gz LHDHHNUPWWVXMY-ROUUACIJSA-N 2 1 338.540 1.734 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000900824409 592138426 /nfs/dbraw/zinc/13/84/26/592138426.db2.gz LHDHHNUPWWVXMY-ROUUACIJSA-N 2 1 338.540 1.734 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC(=O)N(C)C2)[C@@H](C)C1 ZINC000903219597 592141826 /nfs/dbraw/zinc/14/18/26/592141826.db2.gz QMHQBKLWYMFPHV-ULQDDVLXSA-N 2 1 325.497 1.581 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000903459654 592171768 /nfs/dbraw/zinc/17/17/68/592171768.db2.gz WDLLCAFLVOCNJC-CABCVRRESA-N 2 1 345.443 1.216 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCCCOc2ccccc2F)C[C@H]1CC[NH3+] ZINC000903497221 592188179 /nfs/dbraw/zinc/18/81/79/592188179.db2.gz QMQGZEMIBZDSKI-HUUCEWRRSA-N 2 1 337.439 1.628 20 0 EDADMP C[C@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000906647366 592232992 /nfs/dbraw/zinc/23/29/92/592232992.db2.gz RLXIERXADFLFCQ-MRXNPFEDSA-N 2 1 332.492 1.117 20 0 EDADMP C[C@H](CNC(=O)C1CN(C)CC[NH+](C)C1)[N@H+](C)Cc1ccccc1 ZINC000906647366 592232995 /nfs/dbraw/zinc/23/29/95/592232995.db2.gz RLXIERXADFLFCQ-MRXNPFEDSA-N 2 1 332.492 1.117 20 0 EDADMP C[C@H](CNC(=O)C1CN(C)CC[NH+](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000906647366 592232996 /nfs/dbraw/zinc/23/29/96/592232996.db2.gz RLXIERXADFLFCQ-MRXNPFEDSA-N 2 1 332.492 1.117 20 0 EDADMP C[C@@H](c1ccc(NC(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000904339179 592237513 /nfs/dbraw/zinc/23/75/13/592237513.db2.gz XVMOWGRXJRGNFN-ZQIUZPCESA-N 2 1 332.448 1.939 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906658087 592239758 /nfs/dbraw/zinc/23/97/58/592239758.db2.gz CFXIQWLCESRAMG-UHFFFAOYSA-N 2 1 329.404 1.137 20 0 EDADMP C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904371124 592240361 /nfs/dbraw/zinc/24/03/61/592240361.db2.gz JYAPGGJZAHBUQE-UHFFFAOYSA-N 2 1 338.452 1.646 20 0 EDADMP C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904371124 592240363 /nfs/dbraw/zinc/24/03/63/592240363.db2.gz JYAPGGJZAHBUQE-UHFFFAOYSA-N 2 1 338.452 1.646 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@H]1C ZINC000906665446 592246864 /nfs/dbraw/zinc/24/68/64/592246864.db2.gz WBMVMYDUXJGYPZ-ZIAGYGMSSA-N 2 1 346.475 1.760 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@H]1C ZINC000906665446 592246868 /nfs/dbraw/zinc/24/68/68/592246868.db2.gz WBMVMYDUXJGYPZ-ZIAGYGMSSA-N 2 1 346.475 1.760 20 0 EDADMP C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904433959 592255874 /nfs/dbraw/zinc/25/58/74/592255874.db2.gz RKLMKUNVDGQRJC-LBPRGKRZSA-N 2 1 349.460 1.427 20 0 EDADMP C[N@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904433959 592255878 /nfs/dbraw/zinc/25/58/78/592255878.db2.gz RKLMKUNVDGQRJC-LBPRGKRZSA-N 2 1 349.460 1.427 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cnn1C ZINC000904473879 592268406 /nfs/dbraw/zinc/26/84/06/592268406.db2.gz UXIIVQVZCIEMBH-KZNAEPCWSA-N 2 1 334.508 1.985 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904505008 592273784 /nfs/dbraw/zinc/27/37/84/592273784.db2.gz VRRXOTNHCOFSCN-ZWKOTPCHSA-N 2 1 344.459 1.395 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000904511113 592274651 /nfs/dbraw/zinc/27/46/51/592274651.db2.gz VNCWXZXJDSBJTE-ROUUACIJSA-N 2 1 346.475 1.859 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)C[C@]2(C)C1 ZINC000906707380 592279921 /nfs/dbraw/zinc/27/99/21/592279921.db2.gz TVBYDSURZXXDLQ-KUHUBIRLSA-N 2 1 344.459 1.229 20 0 EDADMP CCCC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000903718480 592280773 /nfs/dbraw/zinc/28/07/73/592280773.db2.gz NFUWKPJOZVFNOK-HOTGVXAUSA-N 2 1 344.521 1.434 20 0 EDADMP O=C(c1ccccc1)N1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723051 592283988 /nfs/dbraw/zinc/28/39/88/592283988.db2.gz SPGVLPMZHIIACB-ICSRJNTNSA-N 2 1 343.471 1.603 20 0 EDADMP O=C(C1CCCCC1)N1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903727541 592286086 /nfs/dbraw/zinc/28/60/86/592286086.db2.gz UZNCYXJRKTYVNX-MJGOQNOKSA-N 2 1 335.492 1.480 20 0 EDADMP CCN1C[C@H](C[N@@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)Oc2ccccc21 ZINC000903731968 592287950 /nfs/dbraw/zinc/28/79/50/592287950.db2.gz BKQALJSWPZHXSS-UWVAXJGDSA-N 2 1 345.487 1.974 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)[C@@H]2C1 ZINC000906691302 592290802 /nfs/dbraw/zinc/29/08/02/592290802.db2.gz OTWDLZJXGFJSKO-CZUORRHYSA-N 2 1 344.459 1.372 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](CCOC2CCSCC2)C1)N1CC[NH2+]CC1 ZINC000903713340 592291264 /nfs/dbraw/zinc/29/12/64/592291264.db2.gz NMYKLNXEAVCTRE-OAHLLOKOSA-N 2 1 341.521 1.042 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903713524 592291278 /nfs/dbraw/zinc/29/12/78/592291278.db2.gz ULTPLJBIGOLKIM-UPJWGTAASA-N 2 1 337.386 1.273 20 0 EDADMP c1ccc(C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000903745614 592292132 /nfs/dbraw/zinc/29/21/32/592292132.db2.gz LJZMMAVYPZOMOO-HSALFYBXSA-N 3 1 344.503 1.794 20 0 EDADMP c1ccc(C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000903745614 592292133 /nfs/dbraw/zinc/29/21/33/592292133.db2.gz LJZMMAVYPZOMOO-HSALFYBXSA-N 3 1 344.503 1.794 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000904597602 592292784 /nfs/dbraw/zinc/29/27/84/592292784.db2.gz KUSUBJQODBXKND-MRXNPFEDSA-N 2 1 334.464 1.849 20 0 EDADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903739923 592301160 /nfs/dbraw/zinc/30/11/60/592301160.db2.gz BBRBSAKYUAULOM-YQVWRLOYSA-N 2 1 330.476 1.892 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903739923 592301164 /nfs/dbraw/zinc/30/11/64/592301164.db2.gz BBRBSAKYUAULOM-YQVWRLOYSA-N 3 1 330.476 1.892 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903739923 592301167 /nfs/dbraw/zinc/30/11/67/592301167.db2.gz BBRBSAKYUAULOM-YQVWRLOYSA-N 3 1 330.476 1.892 20 0 EDADMP Fc1ccc(F)c(N2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903739736 592301515 /nfs/dbraw/zinc/30/15/15/592301515.db2.gz OPNBWUKWHQTURL-YJBOKZPZSA-N 2 1 337.414 1.855 20 0 EDADMP COCC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)CC1CC[NH+](C)CC1 ZINC000903775061 592318437 /nfs/dbraw/zinc/31/84/37/592318437.db2.gz GUITWFRUHBAEAV-ROUUACIJSA-N 3 1 325.497 1.045 20 0 EDADMP OCCC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903892422 592366082 /nfs/dbraw/zinc/36/60/82/592366082.db2.gz RWNFCLNXIDVODJ-KRWDZBQOSA-N 2 1 329.448 1.587 20 0 EDADMP OCCC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903892422 592366090 /nfs/dbraw/zinc/36/60/90/592366090.db2.gz RWNFCLNXIDVODJ-KRWDZBQOSA-N 2 1 329.448 1.587 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](CCO)[C@H]2CCc3ccccc32)cnn1C ZINC000903893179 592366717 /nfs/dbraw/zinc/36/67/17/592366717.db2.gz RXSMLXKFFHWSGI-UZLBHIALSA-N 2 1 342.487 1.828 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cnn1C ZINC000903896714 592367345 /nfs/dbraw/zinc/36/73/45/592367345.db2.gz DOBZRFOLSQSZBH-IUODEOHRSA-N 2 1 348.413 1.481 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cnn1C ZINC000903898744 592368455 /nfs/dbraw/zinc/36/84/55/592368455.db2.gz OKKGYCGJVPAKGF-QGPMSJSTSA-N 2 1 330.480 1.626 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000903899853 592370925 /nfs/dbraw/zinc/37/09/25/592370925.db2.gz XQVYPMCKTGLELB-HOCLYGCPSA-N 2 1 328.420 1.251 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000903899853 592370926 /nfs/dbraw/zinc/37/09/26/592370926.db2.gz XQVYPMCKTGLELB-HOCLYGCPSA-N 2 1 328.420 1.251 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@H](Oc3ccccc3)C2)cnn1C ZINC000903932164 592383288 /nfs/dbraw/zinc/38/32/88/592383288.db2.gz NJUQYEOSUCHWKO-LPHOPBHVSA-N 2 1 328.460 1.999 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000903932963 592385536 /nfs/dbraw/zinc/38/55/36/592385536.db2.gz INLYDCZEKIOUIN-RYQLBKOJSA-N 2 1 331.464 1.595 20 0 EDADMP CO[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903940109 592391691 /nfs/dbraw/zinc/39/16/91/592391691.db2.gz XIHJUOJDGNGTRZ-OCCSQVGLSA-N 2 1 334.386 1.499 20 0 EDADMP CO[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903940109 592391695 /nfs/dbraw/zinc/39/16/95/592391695.db2.gz XIHJUOJDGNGTRZ-OCCSQVGLSA-N 2 1 334.386 1.499 20 0 EDADMP CCOC(=O)N1CCC([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903972710 592397334 /nfs/dbraw/zinc/39/73/34/592397334.db2.gz KIBIAMBUKOIROE-OAHLLOKOSA-N 2 1 325.453 1.356 20 0 EDADMP O=C(c1ccoc1)N1CCC([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903974680 592398433 /nfs/dbraw/zinc/39/84/33/592398433.db2.gz WAONBVCPYMFNEK-KRWDZBQOSA-N 2 1 347.459 1.633 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](Cc3nccs3)C2)C1 ZINC000903987612 592406353 /nfs/dbraw/zinc/40/63/53/592406353.db2.gz HWAKVKWKKJPALJ-CABCVRRESA-N 2 1 336.505 1.595 20 0 EDADMP O[C@H](C[C@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000905109885 592411001 /nfs/dbraw/zinc/41/10/01/592411001.db2.gz JOLXBLVVEQEKMQ-XUVXKRRUSA-N 2 1 348.487 1.704 20 0 EDADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000905147247 592437354 /nfs/dbraw/zinc/43/73/54/592437354.db2.gz QYXFGVZZBBBHQB-SFHVURJKSA-N 2 1 342.524 1.912 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCC[NH+]2CCC[C@H]2CO)C1 ZINC000907068214 592504199 /nfs/dbraw/zinc/50/41/99/592504199.db2.gz LQOAVQOKAXUNHN-IRXDYDNUSA-N 2 1 325.497 1.462 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000907068214 592504200 /nfs/dbraw/zinc/50/42/00/592504200.db2.gz LQOAVQOKAXUNHN-IRXDYDNUSA-N 2 1 325.497 1.462 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)NCCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000907068214 592504201 /nfs/dbraw/zinc/50/42/01/592504201.db2.gz LQOAVQOKAXUNHN-IRXDYDNUSA-N 2 1 325.497 1.462 20 0 EDADMP C[N@H+](CCNS(=O)(=O)CC1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000905338247 592509706 /nfs/dbraw/zinc/50/97/06/592509706.db2.gz NTOBOTGYTXHVAF-UHFFFAOYSA-N 2 1 343.468 1.177 20 0 EDADMP C[N@@H+](CCNS(=O)(=O)CC1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000905338247 592509708 /nfs/dbraw/zinc/50/97/08/592509708.db2.gz NTOBOTGYTXHVAF-UHFFFAOYSA-N 2 1 343.468 1.177 20 0 EDADMP CCc1ccc([C@@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000905391273 592517176 /nfs/dbraw/zinc/51/71/76/592517176.db2.gz HFGNAOMDIWQPMP-LJQANCHMSA-N 2 1 346.519 1.461 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCC(=O)Nc1cccnc1)C2 ZINC000905500977 592545733 /nfs/dbraw/zinc/54/57/33/592545733.db2.gz DGHQDFOQXYKBOM-RWQQGDIJSA-N 2 1 346.475 1.480 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)Cc1ccccc1)C2 ZINC000905504872 592546914 /nfs/dbraw/zinc/54/69/14/592546914.db2.gz ZMEVAMMKEDYPQF-UEDWAMCQSA-N 2 1 332.488 1.659 20 0 EDADMP CC(C)[NH2+]Cc1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000905816690 592653972 /nfs/dbraw/zinc/65/39/72/592653972.db2.gz RADOMRASAQFAPX-SFHVURJKSA-N 2 1 329.448 1.413 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(Cc3cccnc3)CC2)C1 ZINC000905850578 592665635 /nfs/dbraw/zinc/66/56/35/592665635.db2.gz UIFJHLZUJXVXKY-SFHVURJKSA-N 2 1 330.476 1.848 20 0 EDADMP O[C@H](CN1CC[NH+](CCOc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000908981968 592686961 /nfs/dbraw/zinc/68/69/61/592686961.db2.gz NKTIMCMNXUEXRT-SFHVURJKSA-N 2 1 333.476 1.140 20 0 EDADMP O[C@H](CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000909047962 592720347 /nfs/dbraw/zinc/72/03/47/592720347.db2.gz QAEDFBIEURDEJK-IBGZPJMESA-N 2 1 335.467 1.790 20 0 EDADMP CC[NH+](CC)Cc1ccc(NC(=O)C2CN(C)CC[N@@H+](C)C2)cc1 ZINC000907649315 592755464 /nfs/dbraw/zinc/75/54/64/592755464.db2.gz CJQGLNADQMLUKK-UHFFFAOYSA-N 2 1 332.492 1.960 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000907805259 592788953 /nfs/dbraw/zinc/78/89/53/592788953.db2.gz IOMBEVHHQUZEOB-RYQLBKOJSA-N 2 1 335.492 1.715 20 0 EDADMP CCC[C@@H](C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1)[NH+](C)C ZINC000910863250 592897851 /nfs/dbraw/zinc/89/78/51/592897851.db2.gz ANCQOBSSYSAQSU-KRWDZBQOSA-N 2 1 327.513 1.658 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000911292885 592981931 /nfs/dbraw/zinc/98/19/31/592981931.db2.gz PXEFTOYMDGTTOY-JRBPQWBISA-N 2 1 343.471 1.174 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000911292885 592981933 /nfs/dbraw/zinc/98/19/33/592981933.db2.gz PXEFTOYMDGTTOY-JRBPQWBISA-N 2 1 343.471 1.174 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000911292885 592981934 /nfs/dbraw/zinc/98/19/34/592981934.db2.gz PXEFTOYMDGTTOY-JRBPQWBISA-N 2 1 343.471 1.174 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@@H]1c1ccccc1 ZINC000912385227 593089814 /nfs/dbraw/zinc/08/98/14/593089814.db2.gz VBJVGWNHKRFLAC-ROUUACIJSA-N 2 1 343.471 1.660 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@@H]1c1ccccc1 ZINC000912385227 593089815 /nfs/dbraw/zinc/08/98/15/593089815.db2.gz VBJVGWNHKRFLAC-ROUUACIJSA-N 2 1 343.471 1.660 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000912466145 593097099 /nfs/dbraw/zinc/09/70/99/593097099.db2.gz ULCZDLWTYFYBGI-HBFSDRIKSA-N 2 1 345.487 1.217 20 0 EDADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000912466145 593097100 /nfs/dbraw/zinc/09/71/00/593097100.db2.gz ULCZDLWTYFYBGI-HBFSDRIKSA-N 2 1 345.487 1.217 20 0 EDADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000912466145 593097101 /nfs/dbraw/zinc/09/71/01/593097101.db2.gz ULCZDLWTYFYBGI-HBFSDRIKSA-N 2 1 345.487 1.217 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2cnnn2-c2ccccc2)C1 ZINC000808263987 593246033 /nfs/dbraw/zinc/24/60/33/593246033.db2.gz KLRPRCUIRPUGBI-MRXNPFEDSA-N 2 1 344.419 1.375 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cnnn2-c2ccccc2)C1 ZINC000808263987 593246034 /nfs/dbraw/zinc/24/60/34/593246034.db2.gz KLRPRCUIRPUGBI-MRXNPFEDSA-N 2 1 344.419 1.375 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)[C@H](C)C1 ZINC000839175496 593271046 /nfs/dbraw/zinc/27/10/46/593271046.db2.gz QDQINDFYXYPDLO-PMPSAXMXSA-N 2 1 326.481 1.722 20 0 EDADMP Cc1ccc(N2CC[C@H]([N@H+](C)CCCN(C)CC[NH+](C)C)C2=O)cc1 ZINC000808781470 593287492 /nfs/dbraw/zinc/28/74/92/593287492.db2.gz HWYQFJYPISHQOJ-IBGZPJMESA-N 2 1 346.519 1.916 20 0 EDADMP CN(CCC[N@@H+](C)C[C@@H](O)c1ccc(F)c(F)c1)CC[NH+](C)C ZINC000808781863 593287898 /nfs/dbraw/zinc/28/78/98/593287898.db2.gz VANPWAHNLMNNOT-QGZVFWFLSA-N 2 1 329.435 1.814 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810395292 593398241 /nfs/dbraw/zinc/39/82/41/593398241.db2.gz LBOXLFGFLVXPOV-SFHVURJKSA-N 2 1 343.487 1.768 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NO[C@@H]3CCCCO3)CC2)CC1 ZINC000816913461 593557614 /nfs/dbraw/zinc/55/76/14/593557614.db2.gz JPBJFPGFTSXLMW-QGZVFWFLSA-N 2 1 339.480 1.757 20 0 EDADMP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000816953422 593562956 /nfs/dbraw/zinc/56/29/56/593562956.db2.gz HCHQLOAEKIHRLI-VYYLWUJASA-N 2 1 343.471 1.803 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)cn2cc[nH+]c12 ZINC000815530328 593641208 /nfs/dbraw/zinc/64/12/08/593641208.db2.gz GROUKTZGXGIHDC-ZDUSSCGKSA-N 2 1 329.404 1.182 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)cn2cc[nH+]c12 ZINC000815530328 593641209 /nfs/dbraw/zinc/64/12/09/593641209.db2.gz GROUKTZGXGIHDC-ZDUSSCGKSA-N 2 1 329.404 1.182 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000818968513 593731114 /nfs/dbraw/zinc/73/11/14/593731114.db2.gz CRAXJUPUEJKVDP-XJKSGUPXSA-N 2 1 334.420 1.078 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000818980555 593732090 /nfs/dbraw/zinc/73/20/90/593732090.db2.gz LCITWMDMEHWGLG-WMLDXEAASA-N 2 1 340.489 1.445 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000819246805 593746588 /nfs/dbraw/zinc/74/65/88/593746588.db2.gz RCKIOSZZIYNRIK-GDBMZVCRSA-N 2 1 341.496 1.821 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000819246805 593746589 /nfs/dbraw/zinc/74/65/89/593746589.db2.gz RCKIOSZZIYNRIK-GDBMZVCRSA-N 2 1 341.496 1.821 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625929 593887225 /nfs/dbraw/zinc/88/72/25/593887225.db2.gz YOMDVYUGMQCKFT-BRWVUGGUSA-N 2 1 342.447 1.316 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625929 593887227 /nfs/dbraw/zinc/88/72/27/593887227.db2.gz YOMDVYUGMQCKFT-BRWVUGGUSA-N 2 1 342.447 1.316 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625929 593887228 /nfs/dbraw/zinc/88/72/28/593887228.db2.gz YOMDVYUGMQCKFT-BRWVUGGUSA-N 2 1 342.447 1.316 20 0 EDADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821088132 593963321 /nfs/dbraw/zinc/96/33/21/593963321.db2.gz KACHZDXKGSNLDM-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821088132 593963322 /nfs/dbraw/zinc/96/33/22/593963322.db2.gz KACHZDXKGSNLDM-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821088132 593963323 /nfs/dbraw/zinc/96/33/23/593963323.db2.gz KACHZDXKGSNLDM-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821088132 593963324 /nfs/dbraw/zinc/96/33/24/593963324.db2.gz KACHZDXKGSNLDM-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC000821189483 593986249 /nfs/dbraw/zinc/98/62/49/593986249.db2.gz MSZYUYFNQKAMOR-MRXNPFEDSA-N 2 1 344.463 1.799 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000825648509 594210454 /nfs/dbraw/zinc/21/04/54/594210454.db2.gz ZBUBJZMJEJBNIU-BRWVUGGUSA-N 2 1 335.492 1.619 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000825648509 594210456 /nfs/dbraw/zinc/21/04/56/594210456.db2.gz ZBUBJZMJEJBNIU-BRWVUGGUSA-N 2 1 335.492 1.619 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000825963721 594292892 /nfs/dbraw/zinc/29/28/92/594292892.db2.gz FAHTZMKXPONACB-OAGGEKHMSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@]3(F)CC[NH2+]C3)c2)C[C@@H](C)O1 ZINC000830086247 594334351 /nfs/dbraw/zinc/33/43/51/594334351.db2.gz XDQOATVUSYZPFK-LBTNJELSSA-N 2 1 335.423 1.936 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)COC3CC[NH+](C)CC3)C2)cc1 ZINC000828314521 594389598 /nfs/dbraw/zinc/38/95/98/594389598.db2.gz JLXVDPIFTUHLDP-GOSISDBHSA-N 2 1 345.487 1.796 20 0 EDADMP C[C@]1(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1(Cl)Cl ZINC000828604560 594461632 /nfs/dbraw/zinc/46/16/32/594461632.db2.gz SYAHEBYGFGTUGV-CYBMUJFWSA-N 2 1 337.291 1.729 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000831476307 594638550 /nfs/dbraw/zinc/63/85/50/594638550.db2.gz XKBIELPQEPNIBJ-SQWLQELKSA-N 2 1 325.815 1.903 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000831476307 594638551 /nfs/dbraw/zinc/63/85/51/594638551.db2.gz XKBIELPQEPNIBJ-SQWLQELKSA-N 2 1 325.815 1.903 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)CC[C@@H]21 ZINC000827256767 594656834 /nfs/dbraw/zinc/65/68/34/594656834.db2.gz XRAUMOXUOMMOLE-ZACQAIPSSA-N 2 1 337.533 1.757 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000827322455 594661037 /nfs/dbraw/zinc/66/10/37/594661037.db2.gz ZSYCHDOUAJXUFU-MNEFBYGVSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000827322455 594661038 /nfs/dbraw/zinc/66/10/38/594661038.db2.gz ZSYCHDOUAJXUFU-MNEFBYGVSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000827322455 594661039 /nfs/dbraw/zinc/66/10/39/594661039.db2.gz ZSYCHDOUAJXUFU-MNEFBYGVSA-N 2 1 327.472 1.986 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000841897546 594976326 /nfs/dbraw/zinc/97/63/26/594976326.db2.gz ZRRRJFXCUBQCME-PKOBYXMFSA-N 2 1 330.476 1.902 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843454051 595115909 /nfs/dbraw/zinc/11/59/09/595115909.db2.gz IHPGXGZIRVZSFF-INIZCTEOSA-N 2 1 329.404 1.455 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000843073422 595281014 /nfs/dbraw/zinc/28/10/14/595281014.db2.gz PMPKJTVNIVJZQI-RHSMWYFYSA-N 2 1 328.403 1.825 20 0 EDADMP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844173307 595291385 /nfs/dbraw/zinc/29/13/85/595291385.db2.gz TZNXUPVHQIGMAS-QZTJIDSGSA-N 2 1 331.460 1.536 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844184349 595295711 /nfs/dbraw/zinc/29/57/11/595295711.db2.gz JWSBCKWXCPNKOR-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844184352 595295714 /nfs/dbraw/zinc/29/57/14/595295714.db2.gz JWSBCKWXCPNKOR-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP CSCC[C@H]([NH3+])c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000843191586 595301875 /nfs/dbraw/zinc/30/18/75/595301875.db2.gz JYOGQIWONBLFJX-LBPRGKRZSA-N 2 1 337.449 1.825 20 0 EDADMP CC(C)c1cnc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000844221649 595306853 /nfs/dbraw/zinc/30/68/53/595306853.db2.gz QRPGMQKSODLEMQ-CABCVRRESA-N 2 1 334.464 1.878 20 0 EDADMP CC(C)c1cnc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000844221649 595306856 /nfs/dbraw/zinc/30/68/56/595306856.db2.gz QRPGMQKSODLEMQ-CABCVRRESA-N 2 1 334.464 1.878 20 0 EDADMP Cn1nc(C(C)(C)C)cc1NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000844225751 595309342 /nfs/dbraw/zinc/30/93/42/595309342.db2.gz UADRKQMMDYGTKA-OAHLLOKOSA-N 2 1 347.507 1.400 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)C[C@@H]2C1 ZINC000848103278 595318997 /nfs/dbraw/zinc/31/89/97/595318997.db2.gz LFRYRPUAMSMYKE-IKGGRYGDSA-N 2 1 337.533 1.614 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000846843162 595325428 /nfs/dbraw/zinc/32/54/28/595325428.db2.gz ZVFYSTRAINYOHT-KDOFPFPSSA-N 2 1 329.448 1.681 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000846843162 595325432 /nfs/dbraw/zinc/32/54/32/595325432.db2.gz ZVFYSTRAINYOHT-KDOFPFPSSA-N 2 1 329.448 1.681 20 0 EDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846875530 595330520 /nfs/dbraw/zinc/33/05/20/595330520.db2.gz SKOBRPWPSPRUOV-YJBOKZPZSA-N 2 1 341.496 1.774 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H](N)CC[NH+](C)C)n2)cn1 ZINC000844908511 595411714 /nfs/dbraw/zinc/41/17/14/595411714.db2.gz HFRCYZVEKSUXKU-CYBMUJFWSA-N 2 1 327.392 1.577 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NOC3CCOCC3)CC2)CC1 ZINC000847754772 595479269 /nfs/dbraw/zinc/47/92/69/595479269.db2.gz YQHZMCHJGQCNCQ-UHFFFAOYSA-N 2 1 339.480 1.410 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[C@H]1COc2ccccc2O1 ZINC000849096495 595481228 /nfs/dbraw/zinc/48/12/28/595481228.db2.gz LHZHALHVSDCSDV-HNNXBMFYSA-N 2 1 348.447 1.053 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])NC3CCC3)cc2)CC1 ZINC000849111075 595483759 /nfs/dbraw/zinc/48/37/59/595483759.db2.gz SRGUNHXWQQCYRQ-UHFFFAOYSA-N 2 1 329.492 1.991 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NOC[C@@H]3CCOC3)CC2)CC1 ZINC000847880697 595495436 /nfs/dbraw/zinc/49/54/36/595495436.db2.gz STBPBWSWBFOPTL-OAHLLOKOSA-N 2 1 339.480 1.267 20 0 EDADMP O=C1[C@@H]([N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1C1CCOCC1 ZINC000852753445 595526733 /nfs/dbraw/zinc/52/67/33/595526733.db2.gz BEDGVIPMLKRUIC-AEFFLSMTSA-N 2 1 335.492 1.478 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1[NH2+]CC12CCCC2 ZINC000852773002 595537603 /nfs/dbraw/zinc/53/76/03/595537603.db2.gz SYJCTFKDTOOVSY-MRXNPFEDSA-N 2 1 335.492 1.670 20 0 EDADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849540976 595559805 /nfs/dbraw/zinc/55/98/05/595559805.db2.gz KLPZJIWGGLVARR-ZWKOTPCHSA-N 2 1 349.523 1.694 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC[NH+](C3CCC3)CC2)cn1 ZINC000849545177 595560646 /nfs/dbraw/zinc/56/06/46/595560646.db2.gz LNRSDFYKMLBAPU-MSOLQXFVSA-N 2 1 345.491 1.152 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849549744 595561987 /nfs/dbraw/zinc/56/19/87/595561987.db2.gz WNKZXMOAZJFNDF-CGTJXYLNSA-N 2 1 347.507 1.256 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849549744 595561990 /nfs/dbraw/zinc/56/19/90/595561990.db2.gz WNKZXMOAZJFNDF-CGTJXYLNSA-N 2 1 347.507 1.256 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849549744 595561992 /nfs/dbraw/zinc/56/19/92/595561992.db2.gz WNKZXMOAZJFNDF-CGTJXYLNSA-N 2 1 347.507 1.256 20 0 EDADMP CC[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000852858871 595580995 /nfs/dbraw/zinc/58/09/95/595580995.db2.gz JTCKBDXGQRMAGV-HOTGVXAUSA-N 2 1 330.432 1.043 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849583031 595581662 /nfs/dbraw/zinc/58/16/62/595581662.db2.gz QYCQEFXQZVSQRB-IAGOWNOFSA-N 2 1 347.507 1.398 20 0 EDADMP C[C@H](NC(=O)C=C1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000852869426 595589541 /nfs/dbraw/zinc/58/95/41/595589541.db2.gz AOVUPDLCAZVGMA-LPHOPBHVSA-N 2 1 343.471 1.702 20 0 EDADMP C[C@H](NC(=O)C=C1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000852869426 595589546 /nfs/dbraw/zinc/58/95/46/595589546.db2.gz AOVUPDLCAZVGMA-LPHOPBHVSA-N 2 1 343.471 1.702 20 0 EDADMP Cc1nn(C)c(Cl)c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346260 595680415 /nfs/dbraw/zinc/68/04/15/595680415.db2.gz UOZPIWPKZBLGGS-NSHDSACASA-N 2 1 329.876 1.384 20 0 EDADMP Cc1nn(C)c(Cl)c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346260 595680418 /nfs/dbraw/zinc/68/04/18/595680418.db2.gz UOZPIWPKZBLGGS-NSHDSACASA-N 2 1 329.876 1.384 20 0 EDADMP Cc1cc(C(N)=O)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000853442189 595751768 /nfs/dbraw/zinc/75/17/68/595751768.db2.gz HFKJELIGVCIUOJ-AWEZNQCLSA-N 2 1 349.479 1.487 20 0 EDADMP Cc1cc(C(N)=O)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000853442189 595751771 /nfs/dbraw/zinc/75/17/71/595751771.db2.gz HFKJELIGVCIUOJ-AWEZNQCLSA-N 2 1 349.479 1.487 20 0 EDADMP CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1C)[C@H]1CC[N@H+](C)C1 ZINC000853471198 595760760 /nfs/dbraw/zinc/76/07/60/595760760.db2.gz GXAVJQVKOPRHDZ-INIZCTEOSA-N 2 1 342.447 1.811 20 0 EDADMP CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1C)[C@H]1CC[N@@H+](C)C1 ZINC000853471198 595760762 /nfs/dbraw/zinc/76/07/62/595760762.db2.gz GXAVJQVKOPRHDZ-INIZCTEOSA-N 2 1 342.447 1.811 20 0 EDADMP NC(=O)[C@@](O)(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000851779378 595920334 /nfs/dbraw/zinc/92/03/34/595920334.db2.gz SXDDRJJTXSVAMP-IEBWSBKVSA-N 2 1 331.460 1.310 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cnc(Br)n2)C[C@H]1C ZINC000851796473 595927045 /nfs/dbraw/zinc/92/70/45/595927045.db2.gz FTPPOHOLAMRBEP-VXGBXAGGSA-N 2 1 330.274 1.845 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2cnc(Br)n2)C[C@H]1C ZINC000851796473 595927046 /nfs/dbraw/zinc/92/70/46/595927046.db2.gz FTPPOHOLAMRBEP-VXGBXAGGSA-N 2 1 330.274 1.845 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2cnc(Br)n2)C[C@H]1C ZINC000851796473 595927048 /nfs/dbraw/zinc/92/70/48/595927048.db2.gz FTPPOHOLAMRBEP-VXGBXAGGSA-N 2 1 330.274 1.845 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2cnc(Br)n2)C[C@H]1C ZINC000851796473 595927049 /nfs/dbraw/zinc/92/70/49/595927049.db2.gz FTPPOHOLAMRBEP-VXGBXAGGSA-N 2 1 330.274 1.845 20 0 EDADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851849862 595946553 /nfs/dbraw/zinc/94/65/53/595946553.db2.gz YRQBENUGLNWODF-INIZCTEOSA-N 2 1 347.459 1.455 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851985502 595997303 /nfs/dbraw/zinc/99/73/03/595997303.db2.gz MUACOYCDJNEUBM-IBGZPJMESA-N 2 1 344.459 1.531 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851985502 595997304 /nfs/dbraw/zinc/99/73/04/595997304.db2.gz MUACOYCDJNEUBM-IBGZPJMESA-N 2 1 344.459 1.531 20 0 EDADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000861539653 596020148 /nfs/dbraw/zinc/02/01/48/596020148.db2.gz OXCZCQDVTWLEQO-HUUCEWRRSA-N 2 1 346.475 1.663 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N(C[C@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)C1 ZINC000854334909 596039846 /nfs/dbraw/zinc/03/98/46/596039846.db2.gz URHRSOIMBXWRHY-DOTOQJQBSA-N 2 1 339.524 1.658 20 0 EDADMP C[NH+](C)CC[C@](C)(O)CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857183181 596178304 /nfs/dbraw/zinc/17/83/04/596178304.db2.gz CIRJVQVJUWBHRD-ICSRJNTNSA-N 2 1 347.503 1.928 20 0 EDADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)CC[N@H+]1C ZINC000866520532 596238698 /nfs/dbraw/zinc/23/86/98/596238698.db2.gz DRCJXRYRFANFJV-XJKSGUPXSA-N 2 1 330.432 1.311 20 0 EDADMP Cc1cccnc1NC(=O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000866666758 596285511 /nfs/dbraw/zinc/28/55/11/596285511.db2.gz VXGCTDISHYIMDG-HOTGVXAUSA-N 2 1 332.448 1.547 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866705853 596301675 /nfs/dbraw/zinc/30/16/75/596301675.db2.gz CQQVJKKFIYBSPR-LJQANCHMSA-N 3 1 338.540 1.672 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866705853 596301679 /nfs/dbraw/zinc/30/16/79/596301679.db2.gz CQQVJKKFIYBSPR-LJQANCHMSA-N 3 1 338.540 1.672 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000866711225 596303867 /nfs/dbraw/zinc/30/38/67/596303867.db2.gz FRJQYWANXCYRFX-WCQGTBRESA-N 2 1 327.837 1.768 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC000866711225 596303870 /nfs/dbraw/zinc/30/38/70/596303870.db2.gz FRJQYWANXCYRFX-WCQGTBRESA-N 2 1 327.837 1.768 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870907495 596398766 /nfs/dbraw/zinc/39/87/66/596398766.db2.gz WSNAKSDRRNSTNM-BXUZGUMPSA-N 2 1 334.489 1.823 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)CC[C@@H]21 ZINC000870980670 596427596 /nfs/dbraw/zinc/42/75/96/596427596.db2.gz ANWBMZZGZBHBTB-HIFRSBDPSA-N 2 1 334.489 1.776 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000867810316 596562725 /nfs/dbraw/zinc/56/27/25/596562725.db2.gz YLYARSGUBZRPMP-DOTOQJQBSA-N 2 1 337.489 1.463 20 0 EDADMP Cn1ncc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cnc21 ZINC000865468907 596583821 /nfs/dbraw/zinc/58/38/21/596583821.db2.gz MGWGAARJTAPAKR-CQSZACIVSA-N 2 1 329.448 1.559 20 0 EDADMP CC(C)C[C@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)C(=O)NCC[NH+](C)C ZINC000865513764 596595796 /nfs/dbraw/zinc/59/57/96/596595796.db2.gz ZXOUYSJTADZPKN-HNNXBMFYSA-N 2 1 348.447 1.716 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865528136 596601001 /nfs/dbraw/zinc/60/10/01/596601001.db2.gz FTWYKHBRGMUUJE-ABAIWWIYSA-N 2 1 337.411 1.191 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865528136 596601003 /nfs/dbraw/zinc/60/10/03/596601003.db2.gz FTWYKHBRGMUUJE-ABAIWWIYSA-N 2 1 337.411 1.191 20 0 EDADMP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000865818758 596696971 /nfs/dbraw/zinc/69/69/71/596696971.db2.gz ZSBLVLSMPHHYDT-HNNXBMFYSA-N 2 1 339.505 1.600 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1C[NH+](C)C ZINC000870018619 596710787 /nfs/dbraw/zinc/71/07/87/596710787.db2.gz UDPOKWHSYHMNPV-HZPDHXFCSA-N 2 1 329.448 1.146 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000868185966 596715534 /nfs/dbraw/zinc/71/55/34/596715534.db2.gz DSNCFENYAFVQSC-VVLHAWIVSA-N 2 1 330.432 1.486 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[C@H]1C ZINC000868236204 596740226 /nfs/dbraw/zinc/74/02/26/596740226.db2.gz FXJBBGRAVGAZCW-OSRSDYAFSA-N 2 1 344.459 1.381 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[C@H]1C ZINC000868236204 596740229 /nfs/dbraw/zinc/74/02/29/596740229.db2.gz FXJBBGRAVGAZCW-OSRSDYAFSA-N 2 1 344.459 1.381 20 0 EDADMP C[NH+]1CCN([C@H](C[NH2+]C[C@@H](O)CC(C)(C)O)c2cccs2)CC1 ZINC000871966999 596763310 /nfs/dbraw/zinc/76/33/10/596763310.db2.gz XFVIQBPZVZOECV-LSDHHAIUSA-N 2 1 341.521 1.148 20 0 EDADMP CC1(C)CO[C@@H](C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000872144694 596809903 /nfs/dbraw/zinc/80/99/03/596809903.db2.gz DQFMGUAJLAHAMN-HZPDHXFCSA-N 2 1 347.507 1.814 20 0 EDADMP CC(C)(C)S(=O)(=O)CCC[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000872145239 596810492 /nfs/dbraw/zinc/81/04/92/596810492.db2.gz QFIVTBMGPINDKG-CVEARBPZSA-N 2 1 346.537 1.808 20 0 EDADMP CC(C)c1cc([C@H]2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)[nH]n1 ZINC000872146435 596810529 /nfs/dbraw/zinc/81/05/29/596810529.db2.gz NJWMICNWRHUUOH-HNNXBMFYSA-N 2 1 333.480 1.534 20 0 EDADMP CC(C)c1cc([C@H]2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)n[nH]1 ZINC000872146435 596810531 /nfs/dbraw/zinc/81/05/31/596810531.db2.gz NJWMICNWRHUUOH-HNNXBMFYSA-N 2 1 333.480 1.534 20 0 EDADMP CC(C)c1cc([C@H]2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)n[nH]1 ZINC000872146435 596810533 /nfs/dbraw/zinc/81/05/33/596810533.db2.gz NJWMICNWRHUUOH-HNNXBMFYSA-N 2 1 333.480 1.534 20 0 EDADMP COC(=O)c1ccccc1OCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151470 596813314 /nfs/dbraw/zinc/81/33/14/596813314.db2.gz KWKRITLWUUTUMP-DGCLKSJQSA-N 2 1 346.349 1.921 20 0 EDADMP COC(=O)c1ccccc1OCC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151470 596813316 /nfs/dbraw/zinc/81/33/16/596813316.db2.gz KWKRITLWUUTUMP-DGCLKSJQSA-N 2 1 346.349 1.921 20 0 EDADMP CC(C)[C@H](CNC(=S)NCCC[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000874069748 596915782 /nfs/dbraw/zinc/91/57/82/596915782.db2.gz HJMMUYGKICDTSK-INIZCTEOSA-N 2 1 342.553 1.293 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000875709903 596955346 /nfs/dbraw/zinc/95/53/46/596955346.db2.gz MAHRNPLQOGHNJN-UONOGXRCSA-N 2 1 326.485 1.004 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000875709903 596955349 /nfs/dbraw/zinc/95/53/49/596955349.db2.gz MAHRNPLQOGHNJN-UONOGXRCSA-N 2 1 326.485 1.004 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000875709903 596955350 /nfs/dbraw/zinc/95/53/50/596955350.db2.gz MAHRNPLQOGHNJN-UONOGXRCSA-N 2 1 326.485 1.004 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000874431105 597075080 /nfs/dbraw/zinc/07/50/80/597075080.db2.gz QDTFXEMSDRMYCF-INIZCTEOSA-N 2 1 338.496 1.320 20 0 EDADMP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000874467255 597093094 /nfs/dbraw/zinc/09/30/94/597093094.db2.gz ICSFRJGGPLSBLB-MSOLQXFVSA-N 2 1 335.492 1.763 20 0 EDADMP CC(C)CN1C[C@@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CCN2C1=O ZINC000873210313 597229045 /nfs/dbraw/zinc/22/90/45/597229045.db2.gz BSTKUOQCTSQYOZ-HNNXBMFYSA-N 2 1 348.516 1.972 20 0 EDADMP CC(C)CN1C[C@@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CCN2C1=O ZINC000873210313 597229046 /nfs/dbraw/zinc/22/90/46/597229046.db2.gz BSTKUOQCTSQYOZ-HNNXBMFYSA-N 2 1 348.516 1.972 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1)C(C)C ZINC000874986778 597231961 /nfs/dbraw/zinc/23/19/61/597231961.db2.gz WKBQOPVKQNVJRE-UHFFFAOYSA-N 2 1 340.512 1.164 20 0 EDADMP Cn1ncc(I)c1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000873275115 597245415 /nfs/dbraw/zinc/24/54/15/597245415.db2.gz CEITWQNKNCHMLX-GXSJLCMTSA-N 2 1 348.232 1.632 20 0 EDADMP COC(=O)c1cnc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000873294503 597250145 /nfs/dbraw/zinc/25/01/45/597250145.db2.gz VYQJXQVRWGGHFV-NEPJUHHUSA-N 2 1 339.461 1.739 20 0 EDADMP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000876727134 597308478 /nfs/dbraw/zinc/30/84/78/597308478.db2.gz UMSTUWNQAMSSDJ-JFDDCEBESA-N 2 1 333.501 1.991 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[NH+]1CCC(C)CC1 ZINC000875171294 597313273 /nfs/dbraw/zinc/31/32/73/597313273.db2.gz QHZLFWRBYMHUEJ-HOTGVXAUSA-N 2 1 340.512 1.251 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876742378 597317521 /nfs/dbraw/zinc/31/75/21/597317521.db2.gz XKTFDNPYFCVWBW-XGUBFFRZSA-N 2 1 329.435 1.939 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000876755655 597323463 /nfs/dbraw/zinc/32/34/63/597323463.db2.gz WFFIPRMRVQXIEE-JKSUJKDBSA-N 2 1 331.464 1.330 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cnc3c(cnn3C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000876782178 597339069 /nfs/dbraw/zinc/33/90/69/597339069.db2.gz NBWWSCAWCCNCQV-QAPCUYQASA-N 2 1 342.491 1.426 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cnc3c(cnn3C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000876782178 597339071 /nfs/dbraw/zinc/33/90/71/597339071.db2.gz NBWWSCAWCCNCQV-QAPCUYQASA-N 2 1 342.491 1.426 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793825 597342010 /nfs/dbraw/zinc/34/20/10/597342010.db2.gz WPUMZQYBWWSESB-QGZVFWFLSA-N 2 1 330.476 1.048 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793825 597342012 /nfs/dbraw/zinc/34/20/12/597342012.db2.gz WPUMZQYBWWSESB-QGZVFWFLSA-N 2 1 330.476 1.048 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875306320 597378106 /nfs/dbraw/zinc/37/81/06/597378106.db2.gz NLLNKTCFHIXZCR-JKSUJKDBSA-N 2 1 340.512 1.395 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875306320 597378110 /nfs/dbraw/zinc/37/81/10/597378110.db2.gz NLLNKTCFHIXZCR-JKSUJKDBSA-N 2 1 340.512 1.395 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000875306320 597378115 /nfs/dbraw/zinc/37/81/15/597378115.db2.gz NLLNKTCFHIXZCR-JKSUJKDBSA-N 2 1 340.512 1.395 20 0 EDADMP CC[C@@H]1COCCN1CCNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000875368901 597403338 /nfs/dbraw/zinc/40/33/38/597403338.db2.gz BFNAXYFWYRFNSS-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000877229151 597469096 /nfs/dbraw/zinc/46/90/96/597469096.db2.gz IBNKXKRMFVOTCV-MSOLQXFVSA-N 2 1 331.460 1.439 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000877229151 597469099 /nfs/dbraw/zinc/46/90/99/597469099.db2.gz IBNKXKRMFVOTCV-MSOLQXFVSA-N 2 1 331.460 1.439 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000877231664 597470559 /nfs/dbraw/zinc/47/05/59/597470559.db2.gz QEVALCHEGJZQJY-SFHVURJKSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000877231664 597470560 /nfs/dbraw/zinc/47/05/60/597470560.db2.gz QEVALCHEGJZQJY-SFHVURJKSA-N 2 1 331.460 1.312 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000873986154 597479628 /nfs/dbraw/zinc/47/96/28/597479628.db2.gz KTGLQOXLYYBCRG-IBGZPJMESA-N 2 1 344.503 1.577 20 0 EDADMP C[C@@]12CN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877353266 597499091 /nfs/dbraw/zinc/49/90/91/597499091.db2.gz OQTOFHQHYGVMAS-ZSXPUABSSA-N 2 1 339.483 1.967 20 0 EDADMP C[NH+]1CCN(C2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)CC1 ZINC000877747252 597552865 /nfs/dbraw/zinc/55/28/65/597552865.db2.gz FGKKPJBIFQRIPS-UHFFFAOYSA-N 2 1 343.519 1.894 20 0 EDADMP O[C@@]1(C[N@@H+]2CCC[C@H](C3OCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000878043972 597571654 /nfs/dbraw/zinc/57/16/54/597571654.db2.gz DDOVPRXWMBEYNO-AZUAARDMSA-N 2 1 346.471 1.708 20 0 EDADMP O[C@@]1(C[N@H+]2CCC[C@H](C3OCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000878043972 597571655 /nfs/dbraw/zinc/57/16/55/597571655.db2.gz DDOVPRXWMBEYNO-AZUAARDMSA-N 2 1 346.471 1.708 20 0 EDADMP O[C@@]1(C[NH+]2CCC[C@H](C3OCCO3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000878043972 597571656 /nfs/dbraw/zinc/57/16/56/597571656.db2.gz DDOVPRXWMBEYNO-AZUAARDMSA-N 2 1 346.471 1.708 20 0 EDADMP O[C@@]1(C[NH+]2CCC[C@H](C3OCCO3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000878043972 597571657 /nfs/dbraw/zinc/57/16/57/597571657.db2.gz DDOVPRXWMBEYNO-AZUAARDMSA-N 2 1 346.471 1.708 20 0 EDADMP CN(CC[N@@H+](C)C[C@H](O)C[C@@H](O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000878311712 597594595 /nfs/dbraw/zinc/59/45/95/597594595.db2.gz VMAUSIFYDXOROM-WOJBJXKFSA-N 2 1 349.519 1.429 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)CC2(O)CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878324351 597595533 /nfs/dbraw/zinc/59/55/33/597595533.db2.gz LLKSQUVBIOGGJC-SQNIBIBYSA-N 2 1 339.524 1.000 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1nnnn1C ZINC000878422435 597600746 /nfs/dbraw/zinc/60/07/46/597600746.db2.gz KSGVRFFRKDRZKF-HWWDLCQESA-N 2 1 328.464 1.499 20 0 EDADMP C[N@@H+]1CC[C@H]2C[NH+](CCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000879569236 597635414 /nfs/dbraw/zinc/63/54/14/597635414.db2.gz LILDUUAOAIMJSH-YOEHRIQHSA-N 2 1 327.428 1.699 20 0 EDADMP C[N@H+]1CC[C@H]2C[NH+](CCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000879569236 597635417 /nfs/dbraw/zinc/63/54/17/597635417.db2.gz LILDUUAOAIMJSH-YOEHRIQHSA-N 2 1 327.428 1.699 20 0 EDADMP C[NH+]1CC[C@H]2C[N@H+](CCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000879569236 597635419 /nfs/dbraw/zinc/63/54/19/597635419.db2.gz LILDUUAOAIMJSH-YOEHRIQHSA-N 2 1 327.428 1.699 20 0 EDADMP C[NH+]1CC[C@H]2C[N@@H+](CCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000879569236 597635420 /nfs/dbraw/zinc/63/54/20/597635420.db2.gz LILDUUAOAIMJSH-YOEHRIQHSA-N 2 1 327.428 1.699 20 0 EDADMP C[C@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CCN1c1cc[nH+]cc1 ZINC000881632153 597665261 /nfs/dbraw/zinc/66/52/61/597665261.db2.gz KWZOACJALGNLDZ-HOCLYGCPSA-N 2 1 334.489 1.556 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000883323249 597713775 /nfs/dbraw/zinc/71/37/75/597713775.db2.gz JNOBTQQMSPXIFJ-QGZVFWFLSA-N 2 1 348.491 1.911 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000878825316 597725016 /nfs/dbraw/zinc/72/50/16/597725016.db2.gz DGLBVOLYOWRZQG-KFWWJZLASA-N 2 1 341.496 1.723 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000878825316 597725017 /nfs/dbraw/zinc/72/50/17/597725017.db2.gz DGLBVOLYOWRZQG-KFWWJZLASA-N 2 1 341.496 1.723 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883400563 597732551 /nfs/dbraw/zinc/73/25/51/597732551.db2.gz PSVGXTFGZRKMCL-KRWDZBQOSA-N 2 1 340.512 1.661 20 0 EDADMP CN(C[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2)C(=O)OC(C)(C)C ZINC000878864329 597738056 /nfs/dbraw/zinc/73/80/56/597738056.db2.gz YKLYUBRBTJMVCG-OAHLLOKOSA-N 2 1 341.496 1.632 20 0 EDADMP O[C@@H]1CC[N@@H+](C2CC[NH+](C[C@H]3CCC4(CCOCC4)CO3)CC2)C1 ZINC000878993735 597778352 /nfs/dbraw/zinc/77/83/52/597778352.db2.gz NKZQPBUHUMVJEZ-QZTJIDSGSA-N 2 1 338.492 1.493 20 0 EDADMP O[C@@H]1CC[N@H+](C2CC[NH+](C[C@H]3CCC4(CCOCC4)CO3)CC2)C1 ZINC000878993735 597778354 /nfs/dbraw/zinc/77/83/54/597778354.db2.gz NKZQPBUHUMVJEZ-QZTJIDSGSA-N 2 1 338.492 1.493 20 0 EDADMP CC(C)(O)[C@@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)C1 ZINC000879964303 597787226 /nfs/dbraw/zinc/78/72/26/597787226.db2.gz WQVSPEKXGWMSHG-HZPDHXFCSA-N 2 1 342.524 1.313 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879973591 597791538 /nfs/dbraw/zinc/79/15/38/597791538.db2.gz ZWRUTTZIBQYJMA-ZACQAIPSSA-N 2 1 334.464 1.323 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879973591 597791543 /nfs/dbraw/zinc/79/15/43/597791543.db2.gz ZWRUTTZIBQYJMA-ZACQAIPSSA-N 2 1 334.464 1.323 20 0 EDADMP CC[NH2+]CCNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883586365 597814287 /nfs/dbraw/zinc/81/42/87/597814287.db2.gz KMLFHLKSTKKKPN-KRWDZBQOSA-N 2 1 331.464 1.702 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000880261146 597886314 /nfs/dbraw/zinc/88/63/14/597886314.db2.gz JDLHRUPRHAYCHL-IRXDYDNUSA-N 2 1 345.491 1.145 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cc(=O)n3ccccc3n2)CCN1c1cc[nH+]cc1 ZINC000880263095 597886880 /nfs/dbraw/zinc/88/68/80/597886880.db2.gz WSICQEPZCJFUFP-OAHLLOKOSA-N 2 1 335.411 1.800 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cc(=O)n3ccccc3n2)CCN1c1cc[nH+]cc1 ZINC000880263095 597886882 /nfs/dbraw/zinc/88/68/82/597886882.db2.gz WSICQEPZCJFUFP-OAHLLOKOSA-N 2 1 335.411 1.800 20 0 EDADMP C[N@@H+](C[C@H](O)CN1CC[NH+](CCCOC(C)(C)C)CC1)C1CC1 ZINC000880415420 597926901 /nfs/dbraw/zinc/92/69/01/597926901.db2.gz NFDVTZSFJIDOLX-KRWDZBQOSA-N 2 1 327.513 1.264 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000880415331 597927064 /nfs/dbraw/zinc/92/70/64/597927064.db2.gz KBVKMZIUMPZBBI-KRWDZBQOSA-N 2 1 329.529 1.510 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000882486741 597974042 /nfs/dbraw/zinc/97/40/42/597974042.db2.gz VNVITMMJWCWZHT-WMZOPIPTSA-N 2 1 331.460 1.395 20 0 EDADMP CCN1CC[C@H]1CNC(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000882486741 597974043 /nfs/dbraw/zinc/97/40/43/597974043.db2.gz VNVITMMJWCWZHT-WMZOPIPTSA-N 2 1 331.460 1.395 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000882496165 597977498 /nfs/dbraw/zinc/97/74/98/597977498.db2.gz YPYOWBXVUMDOLY-KBPBESRZSA-N 2 1 342.484 1.042 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000880614407 597981889 /nfs/dbraw/zinc/98/18/89/597981889.db2.gz VPBBEBGGMITBEX-IAGOWNOFSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000880614407 597981890 /nfs/dbraw/zinc/98/18/90/597981890.db2.gz VPBBEBGGMITBEX-IAGOWNOFSA-N 2 1 339.524 1.968 20 0 EDADMP C[NH+](C)CCC[N@H+](C)CCNc1ccnc(C(=O)N2CCCC2)c1 ZINC000882602655 598001802 /nfs/dbraw/zinc/00/18/02/598001802.db2.gz YDAANRSFPFTGAI-UHFFFAOYSA-N 2 1 333.480 1.613 20 0 EDADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccnc(C(=O)N2CCCC2)c1 ZINC000882602655 598001804 /nfs/dbraw/zinc/00/18/04/598001804.db2.gz YDAANRSFPFTGAI-UHFFFAOYSA-N 2 1 333.480 1.613 20 0 EDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)[NH2+]C)CC1 ZINC000884185052 598017880 /nfs/dbraw/zinc/01/78/80/598017880.db2.gz JCDLSQJCVYPFDV-INIZCTEOSA-N 2 1 340.512 1.023 20 0 EDADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](CC(C)C)[NH2+]C)CC1 ZINC000884185052 598017882 /nfs/dbraw/zinc/01/78/82/598017882.db2.gz JCDLSQJCVYPFDV-INIZCTEOSA-N 2 1 340.512 1.023 20 0 EDADMP CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000884198232 598024924 /nfs/dbraw/zinc/02/49/24/598024924.db2.gz PTMWOOISWRNMIM-QGZVFWFLSA-N 2 1 331.460 1.745 20 0 EDADMP C[NH2+]CCOc1ccccc1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389921 598090165 /nfs/dbraw/zinc/09/01/65/598090165.db2.gz JGUJXPZIUGJYPC-HRCADAONSA-N 2 1 349.475 1.512 20 0 EDADMP C[NH2+]CCOc1ccccc1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389921 598090166 /nfs/dbraw/zinc/09/01/66/598090166.db2.gz JGUJXPZIUGJYPC-HRCADAONSA-N 2 1 349.475 1.512 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884517617 598126413 /nfs/dbraw/zinc/12/64/13/598126413.db2.gz SHXYZENSEVVKFU-YOEHRIQHSA-N 2 1 346.475 1.091 20 0 EDADMP Cc1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000995013860 699973335 /nfs/dbraw/zinc/97/33/35/699973335.db2.gz JPZSBZFBUKBCHI-GJZGRUSLSA-N 2 1 347.463 1.381 20 0 EDADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1cccnc1 ZINC000914160679 695172498 /nfs/dbraw/zinc/17/24/98/695172498.db2.gz ISEKGDJWPNETKN-CRAIPNDOSA-N 2 1 345.491 1.858 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000914316496 695353447 /nfs/dbraw/zinc/35/34/47/695353447.db2.gz VCWCWVPWWLZGKY-DLBZAZTESA-N 2 1 333.480 1.858 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+]1C ZINC000925411566 695530626 /nfs/dbraw/zinc/53/06/26/695530626.db2.gz OREPILGPXQURGR-ZWKOTPCHSA-N 2 1 330.476 1.854 20 0 EDADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925411566 695530628 /nfs/dbraw/zinc/53/06/28/695530628.db2.gz OREPILGPXQURGR-ZWKOTPCHSA-N 2 1 330.476 1.854 20 0 EDADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925411566 695530629 /nfs/dbraw/zinc/53/06/29/695530629.db2.gz OREPILGPXQURGR-ZWKOTPCHSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000914444348 695549284 /nfs/dbraw/zinc/54/92/84/695549284.db2.gz TVDRZOGALQPXHV-SOLBZPMBSA-N 2 1 325.497 1.555 20 0 EDADMP Cc1cccc(CCC[NH+]2CC(NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001031265325 696080009 /nfs/dbraw/zinc/08/00/09/696080009.db2.gz DPSFPLCKTBOTRF-UHFFFAOYSA-N 2 1 327.472 1.824 20 0 EDADMP C[C@@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccnn1C ZINC000993927395 696446855 /nfs/dbraw/zinc/44/68/55/696446855.db2.gz LZXJFWVFABIOHH-CRAIPNDOSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccnn1C ZINC000993927395 696446856 /nfs/dbraw/zinc/44/68/56/696446856.db2.gz LZXJFWVFABIOHH-CRAIPNDOSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994250729 696643813 /nfs/dbraw/zinc/64/38/13/696643813.db2.gz IXBAYBSIAZSLTR-RHSMWYFYSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994250729 696643814 /nfs/dbraw/zinc/64/38/14/696643814.db2.gz IXBAYBSIAZSLTR-RHSMWYFYSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)o1 ZINC000994253944 696656338 /nfs/dbraw/zinc/65/63/38/696656338.db2.gz OUIZUEDTYORGSE-GDBMZVCRSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)o1 ZINC000994253944 696656340 /nfs/dbraw/zinc/65/63/40/696656340.db2.gz OUIZUEDTYORGSE-GDBMZVCRSA-N 2 1 346.475 1.856 20 0 EDADMP CCO[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)C[NH+](C)C ZINC000916865171 696800681 /nfs/dbraw/zinc/80/06/81/696800681.db2.gz JGTAIAQZYOTGGF-HZPDHXFCSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1CCc1ccnn1C ZINC000994408672 696821466 /nfs/dbraw/zinc/82/14/66/696821466.db2.gz OMDJSWXAMGCAHM-NVXWUHKLSA-N 2 1 333.480 1.028 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1CCc1ccnn1C ZINC000994408672 696821468 /nfs/dbraw/zinc/82/14/68/696821468.db2.gz OMDJSWXAMGCAHM-NVXWUHKLSA-N 2 1 333.480 1.028 20 0 EDADMP CCCCCNC(=O)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000917053895 696891675 /nfs/dbraw/zinc/89/16/75/696891675.db2.gz LYVRCMWWJQVAQA-KRWDZBQOSA-N 2 1 325.497 1.462 20 0 EDADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@@H](O)CO)CC1 ZINC000930072097 697273439 /nfs/dbraw/zinc/27/34/39/697273439.db2.gz PFZHJHAVWDSQHT-MRXNPFEDSA-N 2 1 346.393 1.955 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001031584494 697279957 /nfs/dbraw/zinc/27/99/57/697279957.db2.gz DQQMIEMZODWDPF-OXQOHEQNSA-N 2 1 341.499 1.934 20 0 EDADMP Cc1ccc(CCC[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001031596648 697297151 /nfs/dbraw/zinc/29/71/51/697297151.db2.gz MNZSFESVVNNCMG-LJQANCHMSA-N 2 1 345.487 1.306 20 0 EDADMP Cc1ccc(CCC[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001031596648 697297153 /nfs/dbraw/zinc/29/71/53/697297153.db2.gz MNZSFESVVNNCMG-LJQANCHMSA-N 2 1 345.487 1.306 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000352744725 697333346 /nfs/dbraw/zinc/33/33/46/697333346.db2.gz QEMDJKBZLKGQPN-SJORKVTESA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000925477355 697394073 /nfs/dbraw/zinc/39/40/73/697394073.db2.gz JGFVLPZCPYQURU-JQWIXIFHSA-N 2 1 343.415 1.278 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000920226317 697411419 /nfs/dbraw/zinc/41/14/19/697411419.db2.gz FLCIMLTWXQJSKH-DLBZAZTESA-N 2 1 333.480 1.858 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000921435228 697611344 /nfs/dbraw/zinc/61/13/44/697611344.db2.gz XARNFLNBHUZCQA-OJLVUWQFSA-N 2 1 338.521 1.348 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921435228 697611345 /nfs/dbraw/zinc/61/13/45/697611345.db2.gz XARNFLNBHUZCQA-OJLVUWQFSA-N 2 1 338.521 1.348 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921435228 697611346 /nfs/dbraw/zinc/61/13/46/697611346.db2.gz XARNFLNBHUZCQA-OJLVUWQFSA-N 2 1 338.521 1.348 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729798 698058867 /nfs/dbraw/zinc/05/88/67/698058867.db2.gz URWAMFPLNHATRU-SFHVURJKSA-N 2 1 344.503 1.916 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031729798 698058871 /nfs/dbraw/zinc/05/88/71/698058871.db2.gz URWAMFPLNHATRU-SFHVURJKSA-N 2 1 344.503 1.916 20 0 EDADMP O=C(NCC1C[NH+](CC[C@H]2CCOC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001031730817 698093208 /nfs/dbraw/zinc/09/32/08/698093208.db2.gz ZBXSJTSMHSZYRC-QFBILLFUSA-N 2 1 349.519 1.868 20 0 EDADMP O=C(NCC1C[NH+](CCC[C@@H]2CCOC2)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001031730892 698093387 /nfs/dbraw/zinc/09/33/87/698093387.db2.gz AJIAVLVQTHQBNJ-NVXWUHKLSA-N 2 1 346.475 1.625 20 0 EDADMP C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000943516311 698430744 /nfs/dbraw/zinc/43/07/44/698430744.db2.gz LIWRKCMIQVCOMN-CRAIPNDOSA-N 2 1 333.476 1.571 20 0 EDADMP CC1CCC(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001031765655 699056506 /nfs/dbraw/zinc/05/65/06/699056506.db2.gz KTKKKQZXIBPXNF-HDWXEKECSA-N 2 1 337.508 1.580 20 0 EDADMP CC1CCC(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001031765655 699056508 /nfs/dbraw/zinc/05/65/08/699056508.db2.gz KTKKKQZXIBPXNF-HDWXEKECSA-N 2 1 337.508 1.580 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCOc2cccc(F)c2)C1 ZINC001031771714 699093090 /nfs/dbraw/zinc/09/30/90/699093090.db2.gz GZFLAAXLCKYJDC-GOSISDBHSA-N 2 1 349.450 1.737 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939133300 699217863 /nfs/dbraw/zinc/21/78/63/699217863.db2.gz QRCSEFRWTGKDHS-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cnns1 ZINC000939138353 699235454 /nfs/dbraw/zinc/23/54/54/699235454.db2.gz XJGVDCNAMPEGOB-TZMCWYRMSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1[NH2+]CC1CC1 ZINC000939145365 699246172 /nfs/dbraw/zinc/24/61/72/699246172.db2.gz BMNZJXYDPUTUHQ-SUMWQHHRSA-N 2 1 332.448 1.731 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC000939236961 699406238 /nfs/dbraw/zinc/40/62/38/699406238.db2.gz SJOZCFGQFZULFT-JKSUJKDBSA-N 2 1 344.463 1.340 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccccc1 ZINC000939319158 699497492 /nfs/dbraw/zinc/49/74/92/699497492.db2.gz GBUMRUMJQABZCZ-SJLPKXTDSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]CCC1CCCC1 ZINC000939317464 699507222 /nfs/dbraw/zinc/50/72/22/699507222.db2.gz XEIBHBYUPDOYDO-AEFFLSMTSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939398891 699548026 /nfs/dbraw/zinc/54/80/26/699548026.db2.gz SPVZOPVNKAZYJT-PBHICJAKSA-N 2 1 334.464 1.651 20 0 EDADMP CCCn1c(C)nnc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939754361 699904517 /nfs/dbraw/zinc/90/45/17/699904517.db2.gz MTILFCOTBHRJAH-ZBFHGGJFSA-N 2 1 348.495 1.029 20 0 EDADMP CC(C)c1cnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)o1 ZINC000939755293 699906508 /nfs/dbraw/zinc/90/65/08/699906508.db2.gz BPKBMNGEKSVICY-LSDHHAIUSA-N 2 1 334.464 1.830 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](CCC4CCCC4)C3)CC2)C1 ZINC000941666351 701620765 /nfs/dbraw/zinc/62/07/65/701620765.db2.gz WLERIHIBJZTUKK-SFHVURJKSA-N 2 1 348.535 1.347 20 0 EDADMP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000940153863 700283402 /nfs/dbraw/zinc/28/34/02/700283402.db2.gz BXQWPCPINKWYJQ-UHFFFAOYSA-N 2 1 347.507 1.858 20 0 EDADMP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000940150566 700300361 /nfs/dbraw/zinc/30/03/61/700300361.db2.gz XVXLZFUKABQNSN-HNNXBMFYSA-N 2 1 343.431 1.919 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1 ZINC000940214359 700354170 /nfs/dbraw/zinc/35/41/70/700354170.db2.gz JFSLPNSDWYLHCL-UHFFFAOYSA-N 2 1 333.461 1.819 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC000940328193 700505675 /nfs/dbraw/zinc/50/56/75/700505675.db2.gz GZXRCMHIQGOCBW-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940328028 700505782 /nfs/dbraw/zinc/50/57/82/700505782.db2.gz CPXIPRMNENOUCS-ZBFHGGJFSA-N 2 1 333.480 1.089 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]Cc3cscn3)CC2)C1 ZINC000940426054 700619561 /nfs/dbraw/zinc/61/95/61/700619561.db2.gz DJPHNEUISVLYGV-CQSZACIVSA-N 2 1 336.505 1.956 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000940426557 700620565 /nfs/dbraw/zinc/62/05/65/700620565.db2.gz WWDLTCZYCFXDTK-HNNXBMFYSA-N 2 1 334.464 1.796 20 0 EDADMP Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624646 700786147 /nfs/dbraw/zinc/78/61/47/700786147.db2.gz JCPKSYFKOJNVQT-DLBZAZTESA-N 2 1 347.507 1.274 20 0 EDADMP Cn1nccc1CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940624646 700786148 /nfs/dbraw/zinc/78/61/48/700786148.db2.gz JCPKSYFKOJNVQT-DLBZAZTESA-N 2 1 347.507 1.274 20 0 EDADMP Cn1nccc1CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940624646 700786151 /nfs/dbraw/zinc/78/61/51/700786151.db2.gz JCPKSYFKOJNVQT-DLBZAZTESA-N 2 1 347.507 1.274 20 0 EDADMP Cc1ncoc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940625898 700788053 /nfs/dbraw/zinc/78/80/53/700788053.db2.gz WSULEOZOJLHODL-GOEBONIOSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625898 700788055 /nfs/dbraw/zinc/78/80/55/700788055.db2.gz WSULEOZOJLHODL-GOEBONIOSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625898 700788057 /nfs/dbraw/zinc/78/80/57/700788057.db2.gz WSULEOZOJLHODL-GOEBONIOSA-N 2 1 334.464 1.794 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000940799974 700917079 /nfs/dbraw/zinc/91/70/79/700917079.db2.gz UNVDJXGXWRPNEF-IRXDYDNUSA-N 2 1 339.524 1.827 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940799974 700917081 /nfs/dbraw/zinc/91/70/81/700917081.db2.gz UNVDJXGXWRPNEF-IRXDYDNUSA-N 2 1 339.524 1.827 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940799974 700917082 /nfs/dbraw/zinc/91/70/82/700917082.db2.gz UNVDJXGXWRPNEF-IRXDYDNUSA-N 2 1 339.524 1.827 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@H+](CCCF)CC2(C)C)no1 ZINC000940853209 700953278 /nfs/dbraw/zinc/95/32/78/700953278.db2.gz OJKIHIAQRCGPTE-HNNXBMFYSA-N 2 1 340.443 1.926 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCCF)CC2(C)C)no1 ZINC000940853209 700953280 /nfs/dbraw/zinc/95/32/80/700953280.db2.gz OJKIHIAQRCGPTE-HNNXBMFYSA-N 2 1 340.443 1.926 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCC(C)(C)C)C2)C1 ZINC001031921122 701061006 /nfs/dbraw/zinc/06/10/06/701061006.db2.gz IAZCIFSHDYKAJJ-MRXNPFEDSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029101 701069565 /nfs/dbraw/zinc/06/95/65/701069565.db2.gz RPZHTDPKLXJKGP-LSDHHAIUSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029101 701069568 /nfs/dbraw/zinc/06/95/68/701069568.db2.gz RPZHTDPKLXJKGP-LSDHHAIUSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@H](O)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029101 701069570 /nfs/dbraw/zinc/06/95/70/701069570.db2.gz RPZHTDPKLXJKGP-LSDHHAIUSA-N 2 1 325.497 1.316 20 0 EDADMP CO[C@@H](C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C1CCC1 ZINC001031926171 701133710 /nfs/dbraw/zinc/13/37/10/701133710.db2.gz VYMJDHMDEZOQCG-WBAXXEDZSA-N 2 1 337.508 1.580 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124520 701182345 /nfs/dbraw/zinc/18/23/45/701182345.db2.gz RGKLFCYPDISXFM-INIZCTEOSA-N 2 1 325.497 1.581 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941164915 701230763 /nfs/dbraw/zinc/23/07/63/701230763.db2.gz YVTBFVUGMKZHBF-IAGOWNOFSA-N 2 1 347.507 1.442 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941164915 701230766 /nfs/dbraw/zinc/23/07/66/701230766.db2.gz YVTBFVUGMKZHBF-IAGOWNOFSA-N 2 1 347.507 1.442 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941164915 701230767 /nfs/dbraw/zinc/23/07/67/701230767.db2.gz YVTBFVUGMKZHBF-IAGOWNOFSA-N 2 1 347.507 1.442 20 0 EDADMP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CC([NH2+]Cc2cnon2)C1 ZINC000999168864 706597095 /nfs/dbraw/zinc/59/70/95/706597095.db2.gz KNKNFAALAUJIKR-AVVWSFFYSA-N 2 1 333.436 1.023 20 0 EDADMP CC1(C)C[N@@H+](CC2CCOCC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166899 701377754 /nfs/dbraw/zinc/37/77/54/701377754.db2.gz LFBSTIFFFAMEBC-QGZVFWFLSA-N 2 1 349.519 1.726 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166930 701377866 /nfs/dbraw/zinc/37/78/66/701377866.db2.gz MGKNKZSSZGDGQT-INIZCTEOSA-N 2 1 346.475 1.796 20 0 EDADMP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941169102 701379777 /nfs/dbraw/zinc/37/97/77/701379777.db2.gz IWXSMKPGYFGCPR-CZUORRHYSA-N 2 1 334.464 1.359 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941169102 701379779 /nfs/dbraw/zinc/37/97/79/701379779.db2.gz IWXSMKPGYFGCPR-CZUORRHYSA-N 2 1 334.464 1.359 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC000999169891 706599001 /nfs/dbraw/zinc/59/90/01/706599001.db2.gz WRTGCPYGCLKVRQ-HTWSVDAQSA-N 2 1 346.475 1.936 20 0 EDADMP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230182 701419009 /nfs/dbraw/zinc/41/90/09/701419009.db2.gz FZVLOZAGTOXDKJ-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941230182 701419010 /nfs/dbraw/zinc/41/90/10/701419010.db2.gz FZVLOZAGTOXDKJ-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941230182 701419011 /nfs/dbraw/zinc/41/90/11/701419011.db2.gz FZVLOZAGTOXDKJ-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941230182 701419012 /nfs/dbraw/zinc/41/90/12/701419012.db2.gz FZVLOZAGTOXDKJ-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128647 701794750 /nfs/dbraw/zinc/79/47/50/701794750.db2.gz JCMNDLGXEGLTTO-SJORKVTESA-N 2 1 345.491 1.453 20 0 EDADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]Cc2cscn2)C1 ZINC000999176491 706618505 /nfs/dbraw/zinc/61/85/05/706618505.db2.gz WONNQRMVAZFZEP-HOCLYGCPSA-N 2 1 334.489 1.566 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C)c(C)c3)C2)C1 ZINC001032202008 701909346 /nfs/dbraw/zinc/90/93/46/701909346.db2.gz MWXNGXIQKAOZQA-LJQANCHMSA-N 2 1 345.487 1.572 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C)c(C)c3)C2)C1 ZINC001032202008 701909351 /nfs/dbraw/zinc/90/93/51/701909351.db2.gz MWXNGXIQKAOZQA-LJQANCHMSA-N 2 1 345.487 1.572 20 0 EDADMP Cc1csc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000999189258 706630854 /nfs/dbraw/zinc/63/08/54/706630854.db2.gz JJTOOBQMMZHQBR-QLFBSQMISA-N 2 1 336.505 1.872 20 0 EDADMP C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000944046917 702011499 /nfs/dbraw/zinc/01/14/99/702011499.db2.gz MKRVZKGZDWXQPH-MAUKXSAKSA-N 2 1 337.508 1.317 20 0 EDADMP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC000999190345 706632923 /nfs/dbraw/zinc/63/29/23/706632923.db2.gz QFYVUUNOIWHDNA-VNHYZAJKSA-N 2 1 336.436 1.104 20 0 EDADMP Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000999190421 706633134 /nfs/dbraw/zinc/63/31/34/706633134.db2.gz QXJFHRAVHPEDCE-BPQIPLTHSA-N 2 1 330.476 1.811 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1C[NH+](CC3CCCC3)C1)C2 ZINC001031978433 702091828 /nfs/dbraw/zinc/09/18/28/702091828.db2.gz SRSNCAJLLLJQMW-KRWDZBQOSA-N 2 1 330.476 1.992 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3cncs3)C(C)(C)C2)CC[N@H+]1C ZINC000995836133 702113748 /nfs/dbraw/zinc/11/37/48/702113748.db2.gz ZRRIVQWSKUPUNA-YUELXQCFSA-N 2 1 336.505 1.810 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995886850 702223228 /nfs/dbraw/zinc/22/32/28/702223228.db2.gz ODLYIVHUGGOCAV-DLBZAZTESA-N 2 1 347.507 1.621 20 0 EDADMP CCn1ncc(CN[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)n1 ZINC000995914695 702274718 /nfs/dbraw/zinc/27/47/18/702274718.db2.gz FEGYHGCBUYVLQH-MRXNPFEDSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)n1 ZINC000995914695 702274727 /nfs/dbraw/zinc/27/47/27/702274727.db2.gz FEGYHGCBUYVLQH-MRXNPFEDSA-N 2 1 348.495 1.109 20 0 EDADMP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1(C)C ZINC000995982405 702340837 /nfs/dbraw/zinc/34/08/37/702340837.db2.gz ALGUNYCKVGSIJZ-GDBMZVCRSA-N 2 1 339.524 1.847 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cc(C)on3)C2)CC[N@@H+]1C ZINC000999207158 706660900 /nfs/dbraw/zinc/66/09/00/706660900.db2.gz JWGIGOSTHXOTTM-HYVNUMGLSA-N 2 1 334.464 1.794 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cc(C)on3)C2)CC[N@H+]1C ZINC000999207158 706660907 /nfs/dbraw/zinc/66/09/07/706660907.db2.gz JWGIGOSTHXOTTM-HYVNUMGLSA-N 2 1 334.464 1.794 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944151584 702434758 /nfs/dbraw/zinc/43/47/58/702434758.db2.gz AOUBLJXDZMGPGE-YOEHRIQHSA-N 2 1 346.450 1.643 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944151584 702434763 /nfs/dbraw/zinc/43/47/63/702434763.db2.gz AOUBLJXDZMGPGE-YOEHRIQHSA-N 2 1 346.450 1.643 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2c(C)noc2C)C(C)(C)C1 ZINC000996045390 702439747 /nfs/dbraw/zinc/43/97/47/702439747.db2.gz WFLZYHIRKQYDGR-INIZCTEOSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000999225654 706684136 /nfs/dbraw/zinc/68/41/36/706684136.db2.gz ZDDSQICNQQPFBG-GRTSSRMGSA-N 2 1 349.479 1.892 20 0 EDADMP COc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)on1 ZINC000995210378 702685611 /nfs/dbraw/zinc/68/56/11/702685611.db2.gz LORRILAYHSUWKX-KGLIPLIRSA-N 2 1 347.419 1.263 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300445 702691985 /nfs/dbraw/zinc/69/19/85/702691985.db2.gz MGVXVTAWDFYVOL-YOEHRIQHSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(CN[C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)nc1 ZINC000996301228 702693006 /nfs/dbraw/zinc/69/30/06/702693006.db2.gz SJPWMPOGDWRAMO-CVEARBPZSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)nc1 ZINC000996301228 702693007 /nfs/dbraw/zinc/69/30/07/702693007.db2.gz SJPWMPOGDWRAMO-CVEARBPZSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(CN[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)nc1 ZINC000996301454 702693588 /nfs/dbraw/zinc/69/35/88/702693588.db2.gz SZPIEHBEFUHQGR-HOCLYGCPSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)nc1 ZINC000996301454 702693592 /nfs/dbraw/zinc/69/35/92/702693592.db2.gz SZPIEHBEFUHQGR-HOCLYGCPSA-N 2 1 345.491 1.453 20 0 EDADMP CC1(C)CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1[NH2+]CCF ZINC000996310392 702699651 /nfs/dbraw/zinc/69/96/51/702699651.db2.gz MXVDCRCHTUUKHH-OAHLLOKOSA-N 2 1 338.427 1.680 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cscn2)C1 ZINC000995213904 702715627 /nfs/dbraw/zinc/71/56/27/702715627.db2.gz QSVPGVDSNLNMIE-ZIAGYGMSSA-N 2 1 333.461 1.723 20 0 EDADMP CC1(C)CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000996414015 702765030 /nfs/dbraw/zinc/76/50/30/702765030.db2.gz IJTLKNWCRWFLHQ-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(C)(C)C)cn1 ZINC001032675894 706695402 /nfs/dbraw/zinc/69/54/02/706695402.db2.gz UTUXMNHFRHJLLZ-IRXDYDNUSA-N 2 1 347.507 1.780 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cnon3)C(C)(C)C2)CC1 ZINC000996475831 702808110 /nfs/dbraw/zinc/80/81/10/702808110.db2.gz OFYIINGJQPQWKW-MRXNPFEDSA-N 2 1 349.479 1.517 20 0 EDADMP O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996476326 702808305 /nfs/dbraw/zinc/80/83/05/702808305.db2.gz FYUYGYISUANAPR-WBVHZDCISA-N 2 1 343.475 1.432 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996478673 702810191 /nfs/dbraw/zinc/81/01/91/702810191.db2.gz SVYNHHBVLSKFRJ-GDBMZVCRSA-N 2 1 347.463 1.333 20 0 EDADMP Cc1conc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996502123 702840567 /nfs/dbraw/zinc/84/05/67/702840567.db2.gz RFSXJZKDKRMPLX-DOTOQJQBSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996517644 702852838 /nfs/dbraw/zinc/85/28/38/702852838.db2.gz FYFGVYGZNCTIGQ-ZBFHGGJFSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2cnccn2)C(C)(C)C1 ZINC000996610683 702915699 /nfs/dbraw/zinc/91/56/99/702915699.db2.gz JROVQYILJVDXJM-XJKSGUPXSA-N 2 1 342.447 1.569 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CC[C@H]2CCCCO2)C(C)(C)C1 ZINC000996613139 702917962 /nfs/dbraw/zinc/91/79/62/702917962.db2.gz UFNMQIIMLYAWAZ-SJORKVTESA-N 2 1 348.491 1.977 20 0 EDADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996616440 702923276 /nfs/dbraw/zinc/92/32/76/702923276.db2.gz SBGGSBRPVIJGNN-NVXWUHKLSA-N 2 1 330.476 1.668 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)C1 ZINC000996616788 702923763 /nfs/dbraw/zinc/92/37/63/702923763.db2.gz UISSZDQPXUEBNH-ZIAGYGMSSA-N 2 1 329.435 1.810 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)CCc2cnc[nH]2)CC1)c1cnccn1 ZINC000996652030 702941573 /nfs/dbraw/zinc/94/15/73/702941573.db2.gz SMDUWPCLQOPFIK-CYBMUJFWSA-N 2 1 328.420 1.474 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC3CCCC3)C(C)(C)C2)C1 ZINC000996643341 702946047 /nfs/dbraw/zinc/94/60/47/702946047.db2.gz JKVYTBGAIWEGHS-DLBZAZTESA-N 2 1 337.508 1.724 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC3CCCC3)C(C)(C)C2)C1 ZINC000996643341 702946049 /nfs/dbraw/zinc/94/60/49/702946049.db2.gz JKVYTBGAIWEGHS-DLBZAZTESA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)ncn1 ZINC000996664121 702962237 /nfs/dbraw/zinc/96/22/37/702962237.db2.gz FNTFBCNZZYRGQO-UHFFFAOYSA-N 2 1 331.464 1.350 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000996667757 702964924 /nfs/dbraw/zinc/96/49/24/702964924.db2.gz YFHGSCOJXDXODV-KRWDZBQOSA-N 2 1 347.507 1.479 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nncn2C)CC1 ZINC000996664303 702966450 /nfs/dbraw/zinc/96/64/50/702966450.db2.gz UKTSOKWMSNDAJB-ZBFHGGJFSA-N 2 1 348.495 1.331 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000996671695 702972897 /nfs/dbraw/zinc/97/28/97/702972897.db2.gz MFVYELDZLKUQEM-JKSUJKDBSA-N 2 1 334.464 1.876 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000996671695 702972900 /nfs/dbraw/zinc/97/29/00/702972900.db2.gz MFVYELDZLKUQEM-JKSUJKDBSA-N 2 1 334.464 1.876 20 0 EDADMP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)c1C ZINC001032315505 702975489 /nfs/dbraw/zinc/97/54/89/702975489.db2.gz OKPOHNORWBJTHB-OKZBNKHCSA-N 2 1 343.471 1.883 20 0 EDADMP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)c1C ZINC001032315505 702975491 /nfs/dbraw/zinc/97/54/91/702975491.db2.gz OKPOHNORWBJTHB-OKZBNKHCSA-N 2 1 343.471 1.883 20 0 EDADMP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@@H+]2C)c1C ZINC001032315505 702975493 /nfs/dbraw/zinc/97/54/93/702975493.db2.gz OKPOHNORWBJTHB-OKZBNKHCSA-N 2 1 343.471 1.883 20 0 EDADMP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@H+]2C)c1C ZINC001032315505 702975494 /nfs/dbraw/zinc/97/54/94/702975494.db2.gz OKPOHNORWBJTHB-OKZBNKHCSA-N 2 1 343.471 1.883 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000996681283 702979748 /nfs/dbraw/zinc/97/97/48/702979748.db2.gz YVIWQVULWBFGNN-QGZVFWFLSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000996691101 702988539 /nfs/dbraw/zinc/98/85/39/702988539.db2.gz SCYPXWZYAAZRNL-CZUORRHYSA-N 2 1 348.495 1.629 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996715540 703009921 /nfs/dbraw/zinc/00/99/21/703009921.db2.gz GNIGWVKTLINURR-HOTGVXAUSA-N 2 1 349.504 1.636 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996715540 703009924 /nfs/dbraw/zinc/00/99/24/703009924.db2.gz GNIGWVKTLINURR-HOTGVXAUSA-N 2 1 349.504 1.636 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000996725122 703019655 /nfs/dbraw/zinc/01/96/55/703019655.db2.gz SBOBXHVESDGQNM-DZGCQCFKSA-N 2 1 348.495 1.493 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000996725089 703019689 /nfs/dbraw/zinc/01/96/89/703019689.db2.gz RGJXHUSKRYONPK-WFASDCNBSA-N 2 1 334.468 1.239 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@@H]1C ZINC000942518517 703019907 /nfs/dbraw/zinc/01/99/07/703019907.db2.gz SQTIIVJAFKRHAX-SJCJKPOMSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2c(C)noc2C)C[C@@H]1C ZINC000942518517 703019911 /nfs/dbraw/zinc/01/99/11/703019911.db2.gz SQTIIVJAFKRHAX-SJCJKPOMSA-N 2 1 345.447 1.823 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000996726090 703021224 /nfs/dbraw/zinc/02/12/24/703021224.db2.gz WGTNLFZMBAUJLC-RTBURBONSA-N 2 1 345.487 1.785 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCOC2CCC2)C1 ZINC001032027078 703046680 /nfs/dbraw/zinc/04/66/80/703046680.db2.gz MWIONZFLGYKPNP-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP CCN1CC[NH+](C2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000996795219 703079729 /nfs/dbraw/zinc/07/97/29/703079729.db2.gz KGQPNMLCRPBAKS-WWDZGPRUSA-N 2 1 336.524 1.393 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)cc1 ZINC000996798979 703085147 /nfs/dbraw/zinc/08/51/47/703085147.db2.gz STFDYPVEEAWVKC-UHFFFAOYSA-N 2 1 342.443 1.981 20 0 EDADMP C[C@H]1C[N@H+](Cc2cncc(F)c2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597756 703112333 /nfs/dbraw/zinc/11/23/33/703112333.db2.gz NIRKDLNFCBSURI-KSSFIOAISA-N 2 1 348.466 1.889 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597756 703112335 /nfs/dbraw/zinc/11/23/35/703112335.db2.gz NIRKDLNFCBSURI-KSSFIOAISA-N 2 1 348.466 1.889 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598057 703112974 /nfs/dbraw/zinc/11/29/74/703112974.db2.gz QTRKLSRTDKLSOC-KSSFIOAISA-N 2 1 347.507 1.397 20 0 EDADMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598175 703113412 /nfs/dbraw/zinc/11/34/12/703113412.db2.gz SLRMIWJEDBMMPV-QAPCUYQASA-N 2 1 347.507 1.131 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC000996867489 703140437 /nfs/dbraw/zinc/14/04/37/703140437.db2.gz JUJOYBOULUCPRT-ZDUSSCGKSA-N 2 1 349.479 1.894 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC3CC(C)C3)CC2)C1 ZINC000996933914 703203262 /nfs/dbraw/zinc/20/32/62/703203262.db2.gz YUHVJAUPJBMLAO-LEOMRAHMSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC3CC(C)C3)CC2)C1 ZINC000996933914 703203263 /nfs/dbraw/zinc/20/32/63/703203263.db2.gz YUHVJAUPJBMLAO-LEOMRAHMSA-N 2 1 337.508 1.722 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1C ZINC000996981701 703236500 /nfs/dbraw/zinc/23/65/00/703236500.db2.gz XISDONSRJKOTIU-CRAIPNDOSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)nn1C ZINC000996981701 703236502 /nfs/dbraw/zinc/23/65/02/703236502.db2.gz XISDONSRJKOTIU-CRAIPNDOSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032043606 703249887 /nfs/dbraw/zinc/24/98/87/703249887.db2.gz JUIMYIMYANMBTH-MSOLQXFVSA-N 2 1 345.491 1.293 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032043606 703249889 /nfs/dbraw/zinc/24/98/89/703249889.db2.gz JUIMYIMYANMBTH-MSOLQXFVSA-N 2 1 345.491 1.293 20 0 EDADMP Cc1nocc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000997002522 703259267 /nfs/dbraw/zinc/25/92/67/703259267.db2.gz WUQIKMQFRNKYSI-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)cn1 ZINC000997004487 703261556 /nfs/dbraw/zinc/26/15/56/703261556.db2.gz DIZBZAFHDIVNMB-GOEBONIOSA-N 2 1 345.491 1.768 20 0 EDADMP Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997008998 703263439 /nfs/dbraw/zinc/26/34/39/703263439.db2.gz NUXUFEJNJWVODH-KBXCAEBGSA-N 2 1 330.476 1.668 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1C ZINC000997008994 703263583 /nfs/dbraw/zinc/26/35/83/703263583.db2.gz NUIRHKMZLJQDIS-GUYCJALGSA-N 2 1 333.480 1.007 20 0 EDADMP COc1ccnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)c1 ZINC000997006532 703263773 /nfs/dbraw/zinc/26/37/73/703263773.db2.gz MQAKXYNATRBJSU-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1oncc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000997007989 703265477 /nfs/dbraw/zinc/26/54/77/703265477.db2.gz SQLHMDAHEHWUKG-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997009883 703270728 /nfs/dbraw/zinc/27/07/28/703270728.db2.gz QWQRKIPHXVYVEH-DYVFJYSZSA-N 2 1 348.491 1.824 20 0 EDADMP Cc1ccncc1C[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000997094844 703334221 /nfs/dbraw/zinc/33/42/21/703334221.db2.gz UDSYZJJUQXIVTR-UHFFFAOYSA-N 2 1 346.475 1.193 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)no1 ZINC000997114867 703368166 /nfs/dbraw/zinc/36/81/66/703368166.db2.gz JEAKUYNQPCKTRZ-CQSZACIVSA-N 2 1 349.479 1.752 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@H]2C)CC[N@H+]1CCOC ZINC000925339173 703411015 /nfs/dbraw/zinc/41/10/15/703411015.db2.gz WWMXWDGCZOSADM-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccns2)CC[N@@H+]1C ZINC001032411360 703444530 /nfs/dbraw/zinc/44/45/30/703444530.db2.gz LJQKJKZOQVKNMX-ORIJERBGSA-N 2 1 334.489 1.311 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccns2)CC[N@H+]1C ZINC001032411360 703444532 /nfs/dbraw/zinc/44/45/32/703444532.db2.gz LJQKJKZOQVKNMX-ORIJERBGSA-N 2 1 334.489 1.311 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccns2)CC[NH+]1C ZINC001032411360 703444533 /nfs/dbraw/zinc/44/45/33/703444533.db2.gz LJQKJKZOQVKNMX-ORIJERBGSA-N 2 1 334.489 1.311 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccns2)CC[NH+]1C ZINC001032411360 703444535 /nfs/dbraw/zinc/44/45/35/703444535.db2.gz LJQKJKZOQVKNMX-ORIJERBGSA-N 2 1 334.489 1.311 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997180765 703471259 /nfs/dbraw/zinc/47/12/59/703471259.db2.gz MULILBFUOOMLLO-CRAIPNDOSA-N 2 1 347.507 1.621 20 0 EDADMP COC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997278028 703536472 /nfs/dbraw/zinc/53/64/72/703536472.db2.gz CVCWOUKPOGFHCA-CUSZFKRNSA-N 2 1 339.524 1.968 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]C[C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC000997297938 703556065 /nfs/dbraw/zinc/55/60/65/703556065.db2.gz HPJGCLWNTJFNJG-CRAIPNDOSA-N 2 1 349.450 1.391 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997334039 703562523 /nfs/dbraw/zinc/56/25/23/703562523.db2.gz QQJQTMRRCLWNBC-SJLPKXTDSA-N 2 1 339.524 1.848 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2nc(C(F)F)no2)CC1 ZINC000997306621 703565290 /nfs/dbraw/zinc/56/52/90/703565290.db2.gz GIROXEJCBWCBDY-UHFFFAOYSA-N 2 1 343.378 1.184 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000997310114 703567153 /nfs/dbraw/zinc/56/71/53/703567153.db2.gz OEFMHCIBQHYOAL-CYBMUJFWSA-N 2 1 328.420 1.323 20 0 EDADMP Cc1ccnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000997359747 703590326 /nfs/dbraw/zinc/59/03/26/703590326.db2.gz JNEICKZYCRMSHI-IYBDPMFKSA-N 2 1 345.491 1.738 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000997366788 703600769 /nfs/dbraw/zinc/60/07/69/703600769.db2.gz KVEURUDOKACPAF-SFHVURJKSA-N 2 1 347.507 1.418 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCOCC1 ZINC001032455825 703633572 /nfs/dbraw/zinc/63/35/72/703633572.db2.gz BJVHECHUIDYZRQ-SQNIBIBYSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032455825 703633574 /nfs/dbraw/zinc/63/35/74/703633574.db2.gz BJVHECHUIDYZRQ-SQNIBIBYSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032455825 703633576 /nfs/dbraw/zinc/63/35/76/703633576.db2.gz BJVHECHUIDYZRQ-SQNIBIBYSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ncccn2)CC1 ZINC000997422327 703670969 /nfs/dbraw/zinc/67/09/69/703670969.db2.gz WOAKQBPVTZZFRH-GDBMZVCRSA-N 2 1 331.464 1.145 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ncccn2)CC1 ZINC000997422327 703670970 /nfs/dbraw/zinc/67/09/70/703670970.db2.gz WOAKQBPVTZZFRH-GDBMZVCRSA-N 2 1 331.464 1.145 20 0 EDADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC1 ZINC001032475106 703695223 /nfs/dbraw/zinc/69/52/23/703695223.db2.gz DTWWVOUMWZTSRG-IRXDYDNUSA-N 2 1 335.492 1.430 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCOC1CCC1 ZINC001032493040 703774872 /nfs/dbraw/zinc/77/48/72/703774872.db2.gz JBNQBAPQMZINEG-JENIJYKNSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC1CCC1 ZINC001032493040 703774873 /nfs/dbraw/zinc/77/48/73/703774873.db2.gz JBNQBAPQMZINEG-JENIJYKNSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC1CCC1 ZINC001032493040 703774875 /nfs/dbraw/zinc/77/48/75/703774875.db2.gz JBNQBAPQMZINEG-JENIJYKNSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032493040 703774876 /nfs/dbraw/zinc/77/48/76/703774876.db2.gz JBNQBAPQMZINEG-JENIJYKNSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032493040 703774878 /nfs/dbraw/zinc/77/48/78/703774878.db2.gz JBNQBAPQMZINEG-JENIJYKNSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2ccon2)CC1 ZINC000997584977 703872308 /nfs/dbraw/zinc/87/23/08/703872308.db2.gz RYYPKQBDOFMKGM-KSSFIOAISA-N 2 1 346.475 1.733 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC000997645655 703953436 /nfs/dbraw/zinc/95/34/36/703953436.db2.gz PQJSROUPDPQASF-GOSISDBHSA-N 2 1 349.519 1.726 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC000997645655 703953439 /nfs/dbraw/zinc/95/34/39/703953439.db2.gz PQJSROUPDPQASF-GOSISDBHSA-N 2 1 349.519 1.726 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995550446 703953540 /nfs/dbraw/zinc/95/35/40/703953540.db2.gz JNRIWJSHILBHMJ-HOTGVXAUSA-N 2 1 334.464 1.658 20 0 EDADMP Cc1ccncc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997644167 703956049 /nfs/dbraw/zinc/95/60/49/703956049.db2.gz FXQKEFZYEVVBMR-GOSISDBHSA-N 2 1 346.475 1.049 20 0 EDADMP Cc1ccncc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997644167 703956051 /nfs/dbraw/zinc/95/60/51/703956051.db2.gz FXQKEFZYEVVBMR-GOSISDBHSA-N 2 1 346.475 1.049 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCCO1 ZINC001032521020 703967093 /nfs/dbraw/zinc/96/70/93/703967093.db2.gz RBZDAGHUMHWAHP-OKZBNKHCSA-N 2 1 340.427 1.802 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)nn1 ZINC000995554445 703970420 /nfs/dbraw/zinc/97/04/20/703970420.db2.gz WYVOZCCYYOEVRG-HOTGVXAUSA-N 2 1 348.495 1.280 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)nn1 ZINC000995554445 703970422 /nfs/dbraw/zinc/97/04/22/703970422.db2.gz WYVOZCCYYOEVRG-HOTGVXAUSA-N 2 1 348.495 1.280 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033074903 704114233 /nfs/dbraw/zinc/11/42/33/704114233.db2.gz BVEJUXABPDYFHM-KRWDZBQOSA-N 2 1 347.507 1.680 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001033082893 704140742 /nfs/dbraw/zinc/14/07/42/704140742.db2.gz VKBHTYWAWSWAHE-WBVHZDCISA-N 2 1 332.448 1.358 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001033082893 704140744 /nfs/dbraw/zinc/14/07/44/704140744.db2.gz VKBHTYWAWSWAHE-WBVHZDCISA-N 2 1 332.448 1.358 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033079925 704143903 /nfs/dbraw/zinc/14/39/03/704143903.db2.gz AIWKOBGSROZZDC-MSOLQXFVSA-N 2 1 328.460 1.456 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001033080121 704144975 /nfs/dbraw/zinc/14/49/75/704144975.db2.gz CSMBZJAWSXZMDF-KBPBESRZSA-N 2 1 333.398 1.813 20 0 EDADMP Cc1csc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001033093882 704171165 /nfs/dbraw/zinc/17/11/65/704171165.db2.gz FGYKNIMFZQBYQX-QLFBSQMISA-N 2 1 336.505 1.824 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946590461 704195498 /nfs/dbraw/zinc/19/54/98/704195498.db2.gz DUSPLTSULOIQBM-FGTMMUONSA-N 2 1 335.492 1.145 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592298 704242833 /nfs/dbraw/zinc/24/28/33/704242833.db2.gz GUABXZVRVRQEFO-HCXYKTFWSA-N 2 1 349.519 1.678 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1 ZINC000946592298 704242834 /nfs/dbraw/zinc/24/28/34/704242834.db2.gz GUABXZVRVRQEFO-HCXYKTFWSA-N 2 1 349.519 1.678 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946592298 704242835 /nfs/dbraw/zinc/24/28/35/704242835.db2.gz GUABXZVRVRQEFO-HCXYKTFWSA-N 2 1 349.519 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnnn2CC)C1 ZINC000999300820 706803339 /nfs/dbraw/zinc/80/33/39/706803339.db2.gz BAVDLKVZMHIZOT-RDJZCZTQSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2ncc(C)o2)C1 ZINC000999303051 706806691 /nfs/dbraw/zinc/80/66/91/706806691.db2.gz HJJMTTUZQDFQLZ-JKSUJKDBSA-N 2 1 334.464 1.938 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997729736 704626498 /nfs/dbraw/zinc/62/64/98/704626498.db2.gz SCIKIDIOJMPTNB-OVWQWFNUSA-N 2 1 339.524 1.968 20 0 EDADMP Cn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001032557924 704735458 /nfs/dbraw/zinc/73/54/58/704735458.db2.gz XDNKDBWBUQGFOW-IRXDYDNUSA-N 2 1 345.491 1.122 20 0 EDADMP Cn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001032557924 704735461 /nfs/dbraw/zinc/73/54/61/704735461.db2.gz XDNKDBWBUQGFOW-IRXDYDNUSA-N 2 1 345.491 1.122 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1)C1CCC1 ZINC000997830608 704748601 /nfs/dbraw/zinc/74/86/01/704748601.db2.gz KDFJMWKMYNJMSN-UHFFFAOYSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1csc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944942758 704795050 /nfs/dbraw/zinc/79/50/50/704795050.db2.gz CUFUSQPGUZCWEG-UKRRQHHQSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1csc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944942758 704795052 /nfs/dbraw/zinc/79/50/52/704795052.db2.gz CUFUSQPGUZCWEG-UKRRQHHQSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1cccnc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944943603 704796189 /nfs/dbraw/zinc/79/61/89/704796189.db2.gz IZRBMLTVDBZUQE-IAGOWNOFSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2oc(C)nc2C)CC1 ZINC000997914616 704975389 /nfs/dbraw/zinc/97/53/89/704975389.db2.gz KAMBRVQQBLZGKE-UHFFFAOYSA-N 2 1 345.447 1.825 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCCN(Cc2cnn(C)n2)CC1 ZINC000997951668 705070831 /nfs/dbraw/zinc/07/08/31/705070831.db2.gz YTINSDZNNNUOBI-IRXDYDNUSA-N 2 1 348.495 1.112 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccns2)CC[N@@H+]1C ZINC001032586899 705106817 /nfs/dbraw/zinc/10/68/17/705106817.db2.gz GLCDKPRSEFDKCS-VGWMRTNUSA-N 2 1 348.516 1.701 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccns2)CC[N@H+]1C ZINC001032586899 705106821 /nfs/dbraw/zinc/10/68/21/705106821.db2.gz GLCDKPRSEFDKCS-VGWMRTNUSA-N 2 1 348.516 1.701 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccns2)CC[NH+]1C ZINC001032586899 705106825 /nfs/dbraw/zinc/10/68/25/705106825.db2.gz GLCDKPRSEFDKCS-VGWMRTNUSA-N 2 1 348.516 1.701 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccns2)CC[NH+]1C ZINC001032586899 705106832 /nfs/dbraw/zinc/10/68/32/705106832.db2.gz GLCDKPRSEFDKCS-VGWMRTNUSA-N 2 1 348.516 1.701 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)C1 ZINC000997997458 705152242 /nfs/dbraw/zinc/15/22/42/705152242.db2.gz UEXZKKHRKYLLRS-MRXNPFEDSA-N 2 1 349.479 1.520 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC000998047584 705243984 /nfs/dbraw/zinc/24/39/84/705243984.db2.gz QRTHSPJYBHEHKM-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000998047584 705243988 /nfs/dbraw/zinc/24/39/88/705243988.db2.gz QRTHSPJYBHEHKM-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CCC[NH+](CC2CC2)CC1 ZINC000998047584 705243990 /nfs/dbraw/zinc/24/39/90/705243990.db2.gz QRTHSPJYBHEHKM-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CCC[NH+](CC2CC2)CC1 ZINC000998047584 705243993 /nfs/dbraw/zinc/24/39/93/705243993.db2.gz QRTHSPJYBHEHKM-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)c1cc2c[nH]ccc-2n1)[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000998048503 705246231 /nfs/dbraw/zinc/24/62/31/705246231.db2.gz WASYGKNAVFQMHJ-AWEZNQCLSA-N 2 1 343.431 1.365 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)oc1C ZINC000998080504 705306266 /nfs/dbraw/zinc/30/62/66/705306266.db2.gz BRTYVRPEBUOLMP-GUYCJALGSA-N 2 1 348.491 1.817 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000998083625 705313094 /nfs/dbraw/zinc/31/30/94/705313094.db2.gz WZZUOCOEZJGVTN-CQSZACIVSA-N 2 1 349.479 1.302 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000998083625 705313097 /nfs/dbraw/zinc/31/30/97/705313097.db2.gz WZZUOCOEZJGVTN-CQSZACIVSA-N 2 1 349.479 1.302 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCF)C3)CC1 ZINC001040473066 705422529 /nfs/dbraw/zinc/42/25/29/705422529.db2.gz CTUFQVMNMMXCLD-GOSISDBHSA-N 2 1 341.471 1.381 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@H+](Cc2ccon2)CC1 ZINC000998175401 705470569 /nfs/dbraw/zinc/47/05/69/705470569.db2.gz CSCCSZBZXWNDQT-KRWDZBQOSA-N 2 1 346.475 1.973 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@@H+](Cc2ccon2)CC1 ZINC000998175401 705470571 /nfs/dbraw/zinc/47/05/71/705470571.db2.gz CSCCSZBZXWNDQT-KRWDZBQOSA-N 2 1 346.475 1.973 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000998189909 705495253 /nfs/dbraw/zinc/49/52/53/705495253.db2.gz OJTBUUZUPZJQFQ-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000998189909 705495255 /nfs/dbraw/zinc/49/52/55/705495255.db2.gz OJTBUUZUPZJQFQ-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000998189909 705495260 /nfs/dbraw/zinc/49/52/60/705495260.db2.gz OJTBUUZUPZJQFQ-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000998189909 705495263 /nfs/dbraw/zinc/49/52/63/705495263.db2.gz OJTBUUZUPZJQFQ-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP Cn1cncc1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998217956 705541058 /nfs/dbraw/zinc/54/10/58/705541058.db2.gz UTWPVYDTZVJMTE-INIZCTEOSA-N 2 1 333.480 1.090 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)c(C)o1 ZINC000998267986 705639449 /nfs/dbraw/zinc/63/94/49/705639449.db2.gz BYWUCELRPRWUJR-UHFFFAOYSA-N 2 1 345.447 1.825 20 0 EDADMP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC000998267462 705642768 /nfs/dbraw/zinc/64/27/68/705642768.db2.gz XQKUAUYCORKTJO-CQSZACIVSA-N 2 1 337.493 1.126 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(F)(F)C2)C1 ZINC001032627681 705737399 /nfs/dbraw/zinc/73/73/99/705737399.db2.gz FFEKOWLKMFPOIQ-SNPRPXQTSA-N 2 1 327.419 1.659 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(F)(F)C2)C1 ZINC001032627681 705737401 /nfs/dbraw/zinc/73/74/01/705737401.db2.gz FFEKOWLKMFPOIQ-SNPRPXQTSA-N 2 1 327.419 1.659 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(F)(F)C2)C1 ZINC001032627681 705737403 /nfs/dbraw/zinc/73/74/03/705737403.db2.gz FFEKOWLKMFPOIQ-SNPRPXQTSA-N 2 1 327.419 1.659 20 0 EDADMP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOC2CCC2)C1 ZINC001032628946 705746571 /nfs/dbraw/zinc/74/65/71/705746571.db2.gz KEPUEFPUOKXDMG-HOTGVXAUSA-N 2 1 335.492 1.573 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOC2CCC2)C1 ZINC001032628946 705746576 /nfs/dbraw/zinc/74/65/76/705746576.db2.gz KEPUEFPUOKXDMG-HOTGVXAUSA-N 2 1 335.492 1.573 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOC2CCC2)C1 ZINC001032628946 705746583 /nfs/dbraw/zinc/74/65/83/705746583.db2.gz KEPUEFPUOKXDMG-HOTGVXAUSA-N 2 1 335.492 1.573 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOC2CCC2)C1 ZINC001032628946 705746588 /nfs/dbraw/zinc/74/65/88/705746588.db2.gz KEPUEFPUOKXDMG-HOTGVXAUSA-N 2 1 335.492 1.573 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998552967 705990596 /nfs/dbraw/zinc/99/05/96/705990596.db2.gz USQDNIRRBCQXNO-KVULBXGLSA-N 2 1 334.464 1.719 20 0 EDADMP COc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998718986 706150788 /nfs/dbraw/zinc/15/07/88/706150788.db2.gz DPSAWHCLEFSNKY-CVEARBPZSA-N 2 1 332.448 1.265 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000998762849 706201713 /nfs/dbraw/zinc/20/17/13/706201713.db2.gz IODMXARCVGQPFM-UYSNPLJNSA-N 2 1 333.480 1.372 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CC([NH2+]Cc2ncccn2)C1 ZINC000998769043 706208835 /nfs/dbraw/zinc/20/88/35/706208835.db2.gz IFWUPHOZJMMYDM-UHFFFAOYSA-N 2 1 345.491 1.820 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)o2)C1 ZINC000998868269 706297534 /nfs/dbraw/zinc/29/75/34/706297534.db2.gz WIJIMFMKZYMWKR-UYSNPLJNSA-N 2 1 334.464 1.936 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)o2)C1 ZINC000998868269 706297535 /nfs/dbraw/zinc/29/75/35/706297535.db2.gz WIJIMFMKZYMWKR-UYSNPLJNSA-N 2 1 334.464 1.936 20 0 EDADMP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)C1CC([NH2+]CCn2cccn2)C1 ZINC000998897572 706325246 /nfs/dbraw/zinc/32/52/46/706325246.db2.gz HBSGGVGGCZDQPJ-UYSNPLJNSA-N 2 1 342.447 1.236 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)no1 ZINC000999049931 706470747 /nfs/dbraw/zinc/47/07/47/706470747.db2.gz GQHVHYMUPNNALX-UHFFFAOYSA-N 2 1 332.448 1.690 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000999048081 706489420 /nfs/dbraw/zinc/48/94/20/706489420.db2.gz OUSXQAGARJOQQG-GRTSSRMGSA-N 2 1 347.463 1.646 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3nncs3)C[C@H]2CC1 ZINC000946517902 706554928 /nfs/dbraw/zinc/55/49/28/706554928.db2.gz LQQTYKANWCGPQL-QLFBSQMISA-N 2 1 349.504 1.303 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3nncs3)C[C@H]2CC1 ZINC000946517902 706554930 /nfs/dbraw/zinc/55/49/30/706554930.db2.gz LQQTYKANWCGPQL-QLFBSQMISA-N 2 1 349.504 1.303 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3nncs3)C[C@H]2CC1 ZINC000946517902 706554932 /nfs/dbraw/zinc/55/49/32/706554932.db2.gz LQQTYKANWCGPQL-QLFBSQMISA-N 2 1 349.504 1.303 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3nncs3)C[C@H]2CC1 ZINC000946517902 706554934 /nfs/dbraw/zinc/55/49/34/706554934.db2.gz LQQTYKANWCGPQL-QLFBSQMISA-N 2 1 349.504 1.303 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000999340413 706851909 /nfs/dbraw/zinc/85/19/09/706851909.db2.gz WVPCODPQUIEYJC-VCANKDNSSA-N 2 1 335.452 1.360 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000999373640 706868429 /nfs/dbraw/zinc/86/84/29/706868429.db2.gz QVYSBIDLMRUHEU-IRXDYDNUSA-N 2 1 339.443 1.936 20 0 EDADMP Cn1nccc1CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999362450 706875967 /nfs/dbraw/zinc/87/59/67/706875967.db2.gz AUAXXVRVTIQHSV-OAHLLOKOSA-N 2 1 333.480 1.028 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1)C1CCC1 ZINC000999362669 706876602 /nfs/dbraw/zinc/87/66/02/706876602.db2.gz COFCRJNQWUVXMC-GOSISDBHSA-N 2 1 345.487 1.744 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999401657 706909846 /nfs/dbraw/zinc/90/98/46/706909846.db2.gz PNMJNNBPVWLXHU-IRXDYDNUSA-N 2 1 347.507 1.858 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]CCc2ccns2)C1 ZINC000999405769 706915181 /nfs/dbraw/zinc/91/51/81/706915181.db2.gz HWNLFASEAZCENH-NFOMZHRRSA-N 2 1 336.505 1.749 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999407288 706916668 /nfs/dbraw/zinc/91/66/68/706916668.db2.gz TZKPJZIMBFMVTG-ODIFPOPNSA-N 2 1 333.480 1.026 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999510859 707009313 /nfs/dbraw/zinc/00/93/13/707009313.db2.gz MIDZQFJDTCZVJA-NVXWUHKLSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999512419 707011057 /nfs/dbraw/zinc/01/10/57/707011057.db2.gz PPHRNNDTLPRIPU-ZWKOTPCHSA-N 2 1 347.507 1.565 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)[nH]1 ZINC000999576149 707082980 /nfs/dbraw/zinc/08/29/80/707082980.db2.gz UFHXGSXNYLQSNZ-CVEARBPZSA-N 2 1 348.495 1.314 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)[nH]1 ZINC000999576149 707082982 /nfs/dbraw/zinc/08/29/82/707082982.db2.gz UFHXGSXNYLQSNZ-CVEARBPZSA-N 2 1 348.495 1.314 20 0 EDADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779455 707240707 /nfs/dbraw/zinc/24/07/07/707240707.db2.gz PELXUMRJOFYVCZ-XLAORIBOSA-N 2 1 337.508 1.676 20 0 EDADMP COC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779455 707240708 /nfs/dbraw/zinc/24/07/08/707240708.db2.gz PELXUMRJOFYVCZ-XLAORIBOSA-N 2 1 337.508 1.676 20 0 EDADMP COC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779455 707240709 /nfs/dbraw/zinc/24/07/09/707240709.db2.gz PELXUMRJOFYVCZ-XLAORIBOSA-N 2 1 337.508 1.676 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2ncccc2C)C1 ZINC000999713823 707251353 /nfs/dbraw/zinc/25/13/53/707251353.db2.gz NCMVOUZDZMDHRS-INIZCTEOSA-N 2 1 327.432 1.676 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC000999723222 707263571 /nfs/dbraw/zinc/26/35/71/707263571.db2.gz DQMPZCIQBGOOOT-QGZVFWFLSA-N 2 1 344.463 1.286 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]2CC1)[NH+](C)C ZINC000946784576 707312242 /nfs/dbraw/zinc/31/22/42/707312242.db2.gz NVVSCTZOTDKOMD-BBWFWOEESA-N 2 1 345.491 1.487 20 0 EDADMP CN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999764809 707319351 /nfs/dbraw/zinc/31/93/51/707319351.db2.gz PJYQKSRBTAUXIG-TVPLGVNVSA-N 2 1 335.492 1.478 20 0 EDADMP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033270216 707320247 /nfs/dbraw/zinc/32/02/47/707320247.db2.gz ZHWNWTAYJDBTRR-LSDHHAIUSA-N 2 1 334.464 1.330 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033270216 707320250 /nfs/dbraw/zinc/32/02/50/707320250.db2.gz ZHWNWTAYJDBTRR-LSDHHAIUSA-N 2 1 334.464 1.330 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CCF)C[C@H]3CC1)CC2 ZINC000946740330 707331356 /nfs/dbraw/zinc/33/13/56/707331356.db2.gz ZXAPLSACKOMORL-BBWFWOEESA-N 2 1 348.466 1.894 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]3C[N@H+](CCF)C[C@H]3CC1)CC2 ZINC000946740330 707331359 /nfs/dbraw/zinc/33/13/59/707331359.db2.gz ZXAPLSACKOMORL-BBWFWOEESA-N 2 1 348.466 1.894 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1)OC ZINC001033179832 707334715 /nfs/dbraw/zinc/33/47/15/707334715.db2.gz ANNRULFNTFBRPA-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033183141 707358949 /nfs/dbraw/zinc/35/89/49/707358949.db2.gz VEXNZKIGDCEDNP-INIZCTEOSA-N 2 1 345.491 1.329 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033183141 707358954 /nfs/dbraw/zinc/35/89/54/707358954.db2.gz VEXNZKIGDCEDNP-INIZCTEOSA-N 2 1 345.491 1.329 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000999837773 707409251 /nfs/dbraw/zinc/40/92/51/707409251.db2.gz SCFPMFHHJBOHAC-LRVUVFPRSA-N 2 1 336.867 1.766 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033198115 707459781 /nfs/dbraw/zinc/45/97/81/707459781.db2.gz KSBKZOFXCWFJPV-OALUTQOASA-N 2 1 345.487 1.696 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033198115 707459782 /nfs/dbraw/zinc/45/97/82/707459782.db2.gz KSBKZOFXCWFJPV-OALUTQOASA-N 2 1 345.487 1.696 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033198115 707459785 /nfs/dbraw/zinc/45/97/85/707459785.db2.gz KSBKZOFXCWFJPV-OALUTQOASA-N 2 1 345.487 1.696 20 0 EDADMP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999831279 707461299 /nfs/dbraw/zinc/46/12/99/707461299.db2.gz JXRHHWABVJQGAB-KLAILNCOSA-N 2 1 333.480 1.031 20 0 EDADMP CC(C)c1ocnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999832696 707463655 /nfs/dbraw/zinc/46/36/55/707463655.db2.gz VBGFTCTYKATILJ-NFOMZHRRSA-N 2 1 334.464 1.829 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2cnc(C)cn2)C1 ZINC000999835042 707468537 /nfs/dbraw/zinc/46/85/37/707468537.db2.gz BZUKHXLWQSGMRD-UHFFFAOYSA-N 2 1 328.420 1.069 20 0 EDADMP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000999837060 707473677 /nfs/dbraw/zinc/47/36/77/707473677.db2.gz NIPPBSMECYVPRM-UHFFFAOYSA-N 2 1 343.431 1.374 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nonc2C)C1 ZINC000999876571 707523983 /nfs/dbraw/zinc/52/39/83/707523983.db2.gz OHJYHECSPZQWJL-XUJLQICISA-N 2 1 335.452 1.331 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nonc2C)C1 ZINC000999876571 707523987 /nfs/dbraw/zinc/52/39/87/707523987.db2.gz OHJYHECSPZQWJL-XUJLQICISA-N 2 1 335.452 1.331 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)o2)C1 ZINC000999876613 707524209 /nfs/dbraw/zinc/52/42/09/707524209.db2.gz PLASBTFJIUZJNC-GPANFISMSA-N 2 1 334.464 1.936 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)o2)C1 ZINC000999876613 707524210 /nfs/dbraw/zinc/52/42/10/707524210.db2.gz PLASBTFJIUZJNC-GPANFISMSA-N 2 1 334.464 1.936 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999939759 707539717 /nfs/dbraw/zinc/53/97/17/707539717.db2.gz QQUDSKKZTMMJHW-GBESFXJTSA-N 2 1 345.487 1.785 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccn3)C2)CC[N@H+]1C ZINC001033363121 707652942 /nfs/dbraw/zinc/65/29/42/707652942.db2.gz VEMOHPLSMSDLRZ-XYJFISCASA-N 2 1 330.476 1.845 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccn3)C2)CC[NH+]1C ZINC001033363121 707652945 /nfs/dbraw/zinc/65/29/45/707652945.db2.gz VEMOHPLSMSDLRZ-XYJFISCASA-N 2 1 330.476 1.845 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccn3)C2)CC[NH+]1C ZINC001033363121 707652949 /nfs/dbraw/zinc/65/29/49/707652949.db2.gz VEMOHPLSMSDLRZ-XYJFISCASA-N 2 1 330.476 1.845 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CC3CC3)C2)nn1 ZINC000999999096 707682683 /nfs/dbraw/zinc/68/26/83/707682683.db2.gz WTTYZGSHZHMNQW-IAGOWNOFSA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CC3CC3)C2)nn1 ZINC000999999096 707682685 /nfs/dbraw/zinc/68/26/85/707682685.db2.gz WTTYZGSHZHMNQW-IAGOWNOFSA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CC3CC3)C2)nn1 ZINC000999999096 707682687 /nfs/dbraw/zinc/68/26/87/707682687.db2.gz WTTYZGSHZHMNQW-IAGOWNOFSA-N 2 1 346.479 1.035 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395317 707732025 /nfs/dbraw/zinc/73/20/25/707732025.db2.gz HCZFQGIVPSSHRT-INIZCTEOSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395317 707732027 /nfs/dbraw/zinc/73/20/27/707732027.db2.gz HCZFQGIVPSSHRT-INIZCTEOSA-N 2 1 331.464 1.160 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccccc1)C12CC[NH+](CC1)C2 ZINC001032734113 707743478 /nfs/dbraw/zinc/74/34/78/707743478.db2.gz XPOUENRLWFTSAC-ROUUACIJSA-N 2 1 325.456 1.610 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)ccn1 ZINC001033415786 707792884 /nfs/dbraw/zinc/79/28/84/707792884.db2.gz KUZXADYNJAOMPT-NVXWUHKLSA-N 2 1 346.475 1.607 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)ccn1 ZINC001033415786 707792886 /nfs/dbraw/zinc/79/28/86/707792886.db2.gz KUZXADYNJAOMPT-NVXWUHKLSA-N 2 1 346.475 1.607 20 0 EDADMP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)ccn1 ZINC001033415786 707792889 /nfs/dbraw/zinc/79/28/89/707792889.db2.gz KUZXADYNJAOMPT-NVXWUHKLSA-N 2 1 346.475 1.607 20 0 EDADMP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)ccn1 ZINC001033415786 707792890 /nfs/dbraw/zinc/79/28/90/707792890.db2.gz KUZXADYNJAOMPT-NVXWUHKLSA-N 2 1 346.475 1.607 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)s1 ZINC001000193432 707830444 /nfs/dbraw/zinc/83/04/44/707830444.db2.gz QCJOAWPTLRJDPE-DZGCQCFKSA-N 2 1 336.505 1.874 20 0 EDADMP C[C@H]([NH2+]Cc1cnon1)[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001004984013 707830704 /nfs/dbraw/zinc/83/07/04/707830704.db2.gz KSTOSGYUIJMQLB-DOTOQJQBSA-N 2 1 349.479 1.661 20 0 EDADMP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC001000194267 707831059 /nfs/dbraw/zinc/83/10/59/707831059.db2.gz VPWGWHFHCVMROO-MAUKXSAKSA-N 2 1 330.476 1.812 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033422815 707837470 /nfs/dbraw/zinc/83/74/70/707837470.db2.gz LHTMSBRQQGUECY-QFBILLFUSA-N 2 1 347.503 1.972 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccnn2C)C1 ZINC001033472737 707961072 /nfs/dbraw/zinc/96/10/72/707961072.db2.gz AZINJAJHLUGOGF-WMZOPIPTSA-N 2 1 347.507 1.716 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033474044 707962829 /nfs/dbraw/zinc/96/28/29/707962829.db2.gz FCTAIAQRLPVSOU-GOSISDBHSA-N 2 1 347.507 1.493 20 0 EDADMP Cc1cc(F)ccc1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032781222 707966615 /nfs/dbraw/zinc/96/66/15/707966615.db2.gz OEILACBVRVPYLW-SZMVWBNQSA-N 2 1 331.435 1.871 20 0 EDADMP Cc1cc(F)ccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032781222 707966616 /nfs/dbraw/zinc/96/66/16/707966616.db2.gz OEILACBVRVPYLW-SZMVWBNQSA-N 2 1 331.435 1.871 20 0 EDADMP Cc1cc(F)ccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032781222 707966620 /nfs/dbraw/zinc/96/66/20/707966620.db2.gz OEILACBVRVPYLW-SZMVWBNQSA-N 2 1 331.435 1.871 20 0 EDADMP Cc1cc(F)ccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032781222 707966623 /nfs/dbraw/zinc/96/66/23/707966623.db2.gz OEILACBVRVPYLW-SZMVWBNQSA-N 2 1 331.435 1.871 20 0 EDADMP Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032781222 707966626 /nfs/dbraw/zinc/96/66/26/707966626.db2.gz OEILACBVRVPYLW-SZMVWBNQSA-N 2 1 331.435 1.871 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc3n2CCOC3)[C@@H](C)C1 ZINC000921746438 707967404 /nfs/dbraw/zinc/96/74/04/707967404.db2.gz DBAFLVYPNXFQAX-DOTOQJQBSA-N 2 1 336.480 1.640 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc3n2CCOC3)[C@@H](C)C1 ZINC000921746438 707967408 /nfs/dbraw/zinc/96/74/08/707967408.db2.gz DBAFLVYPNXFQAX-DOTOQJQBSA-N 2 1 336.480 1.640 20 0 EDADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)c1ccc(F)cc1 ZINC001032782325 707972366 /nfs/dbraw/zinc/97/23/66/707972366.db2.gz AJHCZUNGNKWHFV-BZSNNMDCSA-N 2 1 347.434 1.240 20 0 EDADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)c1ccc(F)cc1 ZINC001032782325 707972367 /nfs/dbraw/zinc/97/23/67/707972367.db2.gz AJHCZUNGNKWHFV-BZSNNMDCSA-N 2 1 347.434 1.240 20 0 EDADMP C[C@@H](F)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490620 707984989 /nfs/dbraw/zinc/98/49/89/707984989.db2.gz UXJBVIVFDFQYGH-GDBMZVCRSA-N 2 1 339.459 1.339 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001001008402 708082065 /nfs/dbraw/zinc/08/20/65/708082065.db2.gz PVDCRHJENMDALH-MSOLQXFVSA-N 2 1 347.507 1.418 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005179336 708122014 /nfs/dbraw/zinc/12/20/14/708122014.db2.gz NJVQRPXOOSRXGM-KRWDZBQOSA-N 2 1 334.464 1.808 20 0 EDADMP CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033539960 708196027 /nfs/dbraw/zinc/19/60/27/708196027.db2.gz NBEXJHKPOLTRAP-KRWDZBQOSA-N 2 1 325.416 1.824 20 0 EDADMP CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033539960 708196029 /nfs/dbraw/zinc/19/60/29/708196029.db2.gz NBEXJHKPOLTRAP-KRWDZBQOSA-N 2 1 325.416 1.824 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001033582417 708265504 /nfs/dbraw/zinc/26/55/04/708265504.db2.gz PCTNTZMRDSEZBK-HOTGVXAUSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001033582417 708265508 /nfs/dbraw/zinc/26/55/08/708265508.db2.gz PCTNTZMRDSEZBK-HOTGVXAUSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001033582417 708265512 /nfs/dbraw/zinc/26/55/12/708265512.db2.gz PCTNTZMRDSEZBK-HOTGVXAUSA-N 2 1 348.491 1.920 20 0 EDADMP COc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582937 708266984 /nfs/dbraw/zinc/26/69/84/708266984.db2.gz ROPDLGKQXYRMLW-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582937 708266985 /nfs/dbraw/zinc/26/69/85/708266985.db2.gz ROPDLGKQXYRMLW-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033582937 708266987 /nfs/dbraw/zinc/26/69/87/708266987.db2.gz ROPDLGKQXYRMLW-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033582937 708266989 /nfs/dbraw/zinc/26/69/89/708266989.db2.gz ROPDLGKQXYRMLW-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033583363 708267422 /nfs/dbraw/zinc/26/74/22/708267422.db2.gz UZBAQZCTPROMOA-QZTJIDSGSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033583363 708267424 /nfs/dbraw/zinc/26/74/24/708267424.db2.gz UZBAQZCTPROMOA-QZTJIDSGSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033583363 708267426 /nfs/dbraw/zinc/26/74/26/708267426.db2.gz UZBAQZCTPROMOA-QZTJIDSGSA-N 2 1 337.508 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC[NH+](C[C@H](C)OC)CC2)C1 ZINC001001751754 708274281 /nfs/dbraw/zinc/27/42/81/708274281.db2.gz ORWVGBYGIBFZAY-FUHWJXTLSA-N 2 1 339.524 1.972 20 0 EDADMP Cc1nc(CC[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001033591979 708290043 /nfs/dbraw/zinc/29/00/43/708290043.db2.gz DLXGPCVIVCGODY-MRXNPFEDSA-N 2 1 348.516 1.623 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033583973 708308981 /nfs/dbraw/zinc/30/89/81/708308981.db2.gz ZKLIIJHSRNAHMW-DLBZAZTESA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033583973 708308985 /nfs/dbraw/zinc/30/89/85/708308985.db2.gz ZKLIIJHSRNAHMW-DLBZAZTESA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033583973 708308988 /nfs/dbraw/zinc/30/89/88/708308988.db2.gz ZKLIIJHSRNAHMW-DLBZAZTESA-N 2 1 330.476 1.765 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2cncs2)CC1 ZINC001001824368 708327180 /nfs/dbraw/zinc/32/71/80/708327180.db2.gz DZYGNMSJSBTBMV-XJKSGUPXSA-N 2 1 336.505 1.669 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2nccs2)CC1 ZINC001001831838 708336330 /nfs/dbraw/zinc/33/63/30/708336330.db2.gz ASWQFNJGWRHHEP-UKRRQHHQSA-N 2 1 336.505 1.669 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2nccs2)CC1 ZINC001001831838 708336335 /nfs/dbraw/zinc/33/63/35/708336335.db2.gz ASWQFNJGWRHHEP-UKRRQHHQSA-N 2 1 336.505 1.669 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)no1 ZINC001001833513 708359883 /nfs/dbraw/zinc/35/98/83/708359883.db2.gz MNZUKTSAZMIAAD-DYVFJYSZSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)no1 ZINC001001833513 708359886 /nfs/dbraw/zinc/35/98/86/708359886.db2.gz MNZUKTSAZMIAAD-DYVFJYSZSA-N 2 1 334.464 1.509 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2ncccn2)CC1 ZINC001001835044 708361759 /nfs/dbraw/zinc/36/17/59/708361759.db2.gz USWASYXCAJQPFQ-GOEBONIOSA-N 2 1 331.464 1.003 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2ncccn2)CC1 ZINC001001835044 708361762 /nfs/dbraw/zinc/36/17/62/708361762.db2.gz USWASYXCAJQPFQ-GOEBONIOSA-N 2 1 331.464 1.003 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001033663543 708443500 /nfs/dbraw/zinc/44/35/00/708443500.db2.gz WXMCPXWJBOYIFG-HUUCEWRRSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001033663543 708443501 /nfs/dbraw/zinc/44/35/01/708443501.db2.gz WXMCPXWJBOYIFG-HUUCEWRRSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001033663543 708443502 /nfs/dbraw/zinc/44/35/02/708443502.db2.gz WXMCPXWJBOYIFG-HUUCEWRRSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001033663543 708443503 /nfs/dbraw/zinc/44/35/03/708443503.db2.gz WXMCPXWJBOYIFG-HUUCEWRRSA-N 2 1 334.464 1.530 20 0 EDADMP Cc1cccc(OCC[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033663469 708443520 /nfs/dbraw/zinc/44/35/20/708443520.db2.gz VXFVRCYVIYRYQJ-ROUUACIJSA-N 2 1 345.487 1.858 20 0 EDADMP Cc1cccc(OCC[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001033663469 708443521 /nfs/dbraw/zinc/44/35/21/708443521.db2.gz VXFVRCYVIYRYQJ-ROUUACIJSA-N 2 1 345.487 1.858 20 0 EDADMP Cc1cccc(OCC[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033663469 708443522 /nfs/dbraw/zinc/44/35/22/708443522.db2.gz VXFVRCYVIYRYQJ-ROUUACIJSA-N 2 1 345.487 1.858 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001033665615 708448756 /nfs/dbraw/zinc/44/87/56/708448756.db2.gz QCIHPJZBLDJTJK-YOEHRIQHSA-N 2 1 337.414 1.949 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001033665615 708448759 /nfs/dbraw/zinc/44/87/59/708448759.db2.gz QCIHPJZBLDJTJK-YOEHRIQHSA-N 2 1 337.414 1.949 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001033665615 708448761 /nfs/dbraw/zinc/44/87/61/708448761.db2.gz QCIHPJZBLDJTJK-YOEHRIQHSA-N 2 1 337.414 1.949 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001033665615 708448763 /nfs/dbraw/zinc/44/87/63/708448763.db2.gz QCIHPJZBLDJTJK-YOEHRIQHSA-N 2 1 337.414 1.949 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)cc1F ZINC001033666047 708450426 /nfs/dbraw/zinc/45/04/26/708450426.db2.gz UDGUYRBNWSYLCF-MRXNPFEDSA-N 2 1 349.450 1.963 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)cc1F ZINC001033666047 708450429 /nfs/dbraw/zinc/45/04/29/708450429.db2.gz UDGUYRBNWSYLCF-MRXNPFEDSA-N 2 1 349.450 1.963 20 0 EDADMP COCc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001033666373 708450570 /nfs/dbraw/zinc/45/05/70/708450570.db2.gz WIDLYWUPPPNUHO-RBUKOAKNSA-N 2 1 345.487 1.817 20 0 EDADMP COCc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033666373 708450573 /nfs/dbraw/zinc/45/05/73/708450573.db2.gz WIDLYWUPPPNUHO-RBUKOAKNSA-N 2 1 345.487 1.817 20 0 EDADMP COCc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033666373 708450575 /nfs/dbraw/zinc/45/05/75/708450575.db2.gz WIDLYWUPPPNUHO-RBUKOAKNSA-N 2 1 345.487 1.817 20 0 EDADMP CCc1onc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033659578 708471464 /nfs/dbraw/zinc/47/14/64/708471464.db2.gz DHKAZTXGXSWDBY-HUUCEWRRSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033659578 708471466 /nfs/dbraw/zinc/47/14/66/708471466.db2.gz DHKAZTXGXSWDBY-HUUCEWRRSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033659578 708471467 /nfs/dbraw/zinc/47/14/67/708471467.db2.gz DHKAZTXGXSWDBY-HUUCEWRRSA-N 2 1 334.464 1.530 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC001033662468 708478162 /nfs/dbraw/zinc/47/81/62/708478162.db2.gz QBVDLYIQWWSJRZ-HUUCEWRRSA-N 2 1 343.431 1.207 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc3nonc3c2)C1 ZINC001033662468 708478164 /nfs/dbraw/zinc/47/81/64/708478164.db2.gz QBVDLYIQWWSJRZ-HUUCEWRRSA-N 2 1 343.431 1.207 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc3nonc3c2)C1 ZINC001033662468 708478166 /nfs/dbraw/zinc/47/81/66/708478166.db2.gz QBVDLYIQWWSJRZ-HUUCEWRRSA-N 2 1 343.431 1.207 20 0 EDADMP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001002122068 708636353 /nfs/dbraw/zinc/63/63/53/708636353.db2.gz XXOAUVSFZOXVNO-GOSISDBHSA-N 2 1 345.487 1.975 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(Cc2cccnc2OC)C1 ZINC001033772595 708670685 /nfs/dbraw/zinc/67/06/85/708670685.db2.gz AHDKYSPQTMDUCK-SJORKVTESA-N 2 1 346.475 1.607 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033776976 708704165 /nfs/dbraw/zinc/70/41/65/708704165.db2.gz RYCPPXQCCXPTKW-GDBMZVCRSA-N 2 1 336.505 1.703 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC001033776976 708704166 /nfs/dbraw/zinc/70/41/66/708704166.db2.gz RYCPPXQCCXPTKW-GDBMZVCRSA-N 2 1 336.505 1.703 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033826921 708826590 /nfs/dbraw/zinc/82/65/90/708826590.db2.gz XEFFNLALDPWNEF-QZTJIDSGSA-N 2 1 347.507 1.679 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033826921 708826593 /nfs/dbraw/zinc/82/65/93/708826593.db2.gz XEFFNLALDPWNEF-QZTJIDSGSA-N 2 1 347.507 1.679 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033826921 708826595 /nfs/dbraw/zinc/82/65/95/708826595.db2.gz XEFFNLALDPWNEF-QZTJIDSGSA-N 2 1 347.507 1.679 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2conc2C)C1 ZINC001033835581 708862967 /nfs/dbraw/zinc/86/29/67/708862967.db2.gz ZYANTCOGAIUMAK-DJIMGWMZSA-N 2 1 334.464 1.746 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2conc2C)C1 ZINC001033835581 708862969 /nfs/dbraw/zinc/86/29/69/708862969.db2.gz ZYANTCOGAIUMAK-DJIMGWMZSA-N 2 1 334.464 1.746 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2conc2C)C1 ZINC001033835581 708862972 /nfs/dbraw/zinc/86/29/72/708862972.db2.gz ZYANTCOGAIUMAK-DJIMGWMZSA-N 2 1 334.464 1.746 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2conc2C)C1 ZINC001033835581 708862975 /nfs/dbraw/zinc/86/29/75/708862975.db2.gz ZYANTCOGAIUMAK-DJIMGWMZSA-N 2 1 334.464 1.746 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033837871 708867759 /nfs/dbraw/zinc/86/77/59/708867759.db2.gz KNLGFLFTTKZARW-BRWVUGGUSA-N 2 1 333.480 1.146 20 0 EDADMP Cc1ncsc1CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001002472602 709005841 /nfs/dbraw/zinc/00/58/41/709005841.db2.gz CBMPKAMLOFVTLM-OAHLLOKOSA-N 2 1 336.505 1.669 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](C(C)C)CCO1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033930735 709080800 /nfs/dbraw/zinc/08/08/00/709080800.db2.gz ACDDGGPTZYJPBK-MSOLQXFVSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](C(C)C)CCO1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033930735 709080801 /nfs/dbraw/zinc/08/08/01/709080801.db2.gz ACDDGGPTZYJPBK-MSOLQXFVSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033930735 709080803 /nfs/dbraw/zinc/08/08/03/709080803.db2.gz ACDDGGPTZYJPBK-MSOLQXFVSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033930735 709080804 /nfs/dbraw/zinc/08/08/04/709080804.db2.gz ACDDGGPTZYJPBK-MSOLQXFVSA-N 2 1 337.508 1.819 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCOC)C2)C1 ZINC001033932630 709090675 /nfs/dbraw/zinc/09/06/75/709090675.db2.gz QKRVTQPKSAYJEF-SJORKVTESA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CCOC)C2)C1 ZINC001033932630 709090678 /nfs/dbraw/zinc/09/06/78/709090678.db2.gz QKRVTQPKSAYJEF-SJORKVTESA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC001033932630 709090680 /nfs/dbraw/zinc/09/06/80/709090680.db2.gz QKRVTQPKSAYJEF-SJORKVTESA-N 2 1 325.497 1.678 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001034014829 709230246 /nfs/dbraw/zinc/23/02/46/709230246.db2.gz DSBNJYKEDRXKRX-MSOLQXFVSA-N 2 1 349.519 1.964 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001034015179 709231242 /nfs/dbraw/zinc/23/12/42/709231242.db2.gz FITOGWPZZZTWOI-QGZVFWFLSA-N 2 1 335.492 1.432 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001005498871 709273609 /nfs/dbraw/zinc/27/36/09/709273609.db2.gz UVUAIJOYZALYBR-SFHVURJKSA-N 2 1 337.508 1.963 20 0 EDADMP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1)OC ZINC001002793666 709401511 /nfs/dbraw/zinc/40/15/11/709401511.db2.gz ZBPNVKOFGNJMLN-DLBZAZTESA-N 2 1 325.497 1.865 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001034148750 709420003 /nfs/dbraw/zinc/42/00/03/709420003.db2.gz OQWDBIHVQLMDST-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001034148750 709420006 /nfs/dbraw/zinc/42/00/06/709420006.db2.gz OQWDBIHVQLMDST-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001034148750 709420008 /nfs/dbraw/zinc/42/00/08/709420008.db2.gz OQWDBIHVQLMDST-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001034148750 709420009 /nfs/dbraw/zinc/42/00/09/709420009.db2.gz OQWDBIHVQLMDST-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000922012002 709431599 /nfs/dbraw/zinc/43/15/99/709431599.db2.gz NSWXARRAWUTDNB-UHFFFAOYSA-N 2 1 344.301 1.678 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)sn1 ZINC001002831434 709442440 /nfs/dbraw/zinc/44/24/40/709442440.db2.gz FTFYPQHBIRYOFE-QGZVFWFLSA-N 2 1 348.516 1.874 20 0 EDADMP O=C(NC1CC[NH+](CC2=CCCCC2)CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001002875750 709482957 /nfs/dbraw/zinc/48/29/57/709482957.db2.gz QOIVQTGVNPXEOD-RBUKOAKNSA-N 2 1 347.503 1.931 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034204976 709527274 /nfs/dbraw/zinc/52/72/74/709527274.db2.gz RSJQPGNVSUDZCP-SJLPKXTDSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034204976 709527279 /nfs/dbraw/zinc/52/72/79/709527279.db2.gz RSJQPGNVSUDZCP-SJLPKXTDSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccnn2C)C1 ZINC001034204976 709527284 /nfs/dbraw/zinc/52/72/84/709527284.db2.gz RSJQPGNVSUDZCP-SJLPKXTDSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccnn2C)C1 ZINC001034204976 709527287 /nfs/dbraw/zinc/52/72/87/709527287.db2.gz RSJQPGNVSUDZCP-SJLPKXTDSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001034212975 709564328 /nfs/dbraw/zinc/56/43/28/709564328.db2.gz SNAIYGIJYQPJMN-SJLPKXTDSA-N 2 1 346.475 1.796 20 0 EDADMP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001034212975 709564332 /nfs/dbraw/zinc/56/43/32/709564332.db2.gz SNAIYGIJYQPJMN-SJLPKXTDSA-N 2 1 346.475 1.796 20 0 EDADMP Cn1nccc1CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034269154 709673394 /nfs/dbraw/zinc/67/33/94/709673394.db2.gz AEZYFTMRXHPONL-AEFFLSMTSA-N 2 1 347.507 1.418 20 0 EDADMP Cn1nccc1CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034269154 709673397 /nfs/dbraw/zinc/67/33/97/709673397.db2.gz AEZYFTMRXHPONL-AEFFLSMTSA-N 2 1 347.507 1.418 20 0 EDADMP Cn1nccc1CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034269154 709673399 /nfs/dbraw/zinc/67/33/99/709673399.db2.gz AEZYFTMRXHPONL-AEFFLSMTSA-N 2 1 347.507 1.418 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3)C2)O1 ZINC001034271264 709677656 /nfs/dbraw/zinc/67/76/56/709677656.db2.gz GHNRKDXWAIHZNI-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3)C2)O1 ZINC001034271264 709677657 /nfs/dbraw/zinc/67/76/57/709677657.db2.gz GHNRKDXWAIHZNI-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)O1 ZINC001034271264 709677658 /nfs/dbraw/zinc/67/76/58/709677658.db2.gz GHNRKDXWAIHZNI-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)O1 ZINC001034271264 709677659 /nfs/dbraw/zinc/67/76/59/709677659.db2.gz GHNRKDXWAIHZNI-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001034309626 709752005 /nfs/dbraw/zinc/75/20/05/709752005.db2.gz NPRHPSPGCQKDKK-SJORKVTESA-N 2 1 334.464 1.731 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001034309626 709752008 /nfs/dbraw/zinc/75/20/08/709752008.db2.gz NPRHPSPGCQKDKK-SJORKVTESA-N 2 1 334.464 1.731 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CCC2CCOCC2)C1 ZINC001034310256 709753538 /nfs/dbraw/zinc/75/35/38/709753538.db2.gz VEYFVERWMHYZGL-SFHVURJKSA-N 2 1 348.491 1.979 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CCC2CCOCC2)C1 ZINC001034310256 709753540 /nfs/dbraw/zinc/75/35/40/709753540.db2.gz VEYFVERWMHYZGL-SFHVURJKSA-N 2 1 348.491 1.979 20 0 EDADMP CO[C@@H](C[N@@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1)C1CCC1 ZINC001034310391 709753557 /nfs/dbraw/zinc/75/35/57/709753557.db2.gz XHZVPFAUMHGWHF-MSOLQXFVSA-N 2 1 348.491 1.977 20 0 EDADMP CO[C@@H](C[N@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1)C1CCC1 ZINC001034310391 709753561 /nfs/dbraw/zinc/75/35/61/709753561.db2.gz XHZVPFAUMHGWHF-MSOLQXFVSA-N 2 1 348.491 1.977 20 0 EDADMP C[C@H](O)C[N@@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034311402 709755971 /nfs/dbraw/zinc/75/59/71/709755971.db2.gz GFYGVFAGGVAVOL-GJZGRUSLSA-N 2 1 334.464 1.113 20 0 EDADMP C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034311402 709755976 /nfs/dbraw/zinc/75/59/76/709755976.db2.gz GFYGVFAGGVAVOL-GJZGRUSLSA-N 2 1 334.464 1.113 20 0 EDADMP CO[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312990 709759269 /nfs/dbraw/zinc/75/92/69/709759269.db2.gz VAYCNILYSHHJHW-HZPDHXFCSA-N 2 1 348.491 1.768 20 0 EDADMP CO[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312990 709759270 /nfs/dbraw/zinc/75/92/70/709759270.db2.gz VAYCNILYSHHJHW-HZPDHXFCSA-N 2 1 348.491 1.768 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCCN(Cc3ccon3)C2)CC[N@H+]1C ZINC001034365219 709886808 /nfs/dbraw/zinc/88/68/08/709886808.db2.gz YUNLUFLCECUUTD-JYJNAYRXSA-N 2 1 334.464 1.876 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](C[C@H]3CCCOC3)C2)CC1 ZINC001034386855 709915829 /nfs/dbraw/zinc/91/58/29/709915829.db2.gz UWGQSLRBXIFJPR-AEFFLSMTSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)cc1 ZINC001034406206 709921888 /nfs/dbraw/zinc/92/18/88/709921888.db2.gz YEWYSISVUXHQMB-GOSISDBHSA-N 2 1 333.476 1.367 20 0 EDADMP Cn1nccc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034393653 709928552 /nfs/dbraw/zinc/92/85/52/709928552.db2.gz FZWMFAIXOQZMJM-INIZCTEOSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1nccc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034393653 709928553 /nfs/dbraw/zinc/92/85/53/709928553.db2.gz FZWMFAIXOQZMJM-INIZCTEOSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1nccc1C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034393653 709928554 /nfs/dbraw/zinc/92/85/54/709928554.db2.gz FZWMFAIXOQZMJM-INIZCTEOSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1nccc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034393653 709928555 /nfs/dbraw/zinc/92/85/55/709928555.db2.gz FZWMFAIXOQZMJM-INIZCTEOSA-N 2 1 347.507 1.623 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)O1 ZINC001003139168 710031277 /nfs/dbraw/zinc/03/12/77/710031277.db2.gz OTHMSVHMSDASPW-RDTXWAMCSA-N 2 1 349.450 1.625 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)O1 ZINC001003139168 710031279 /nfs/dbraw/zinc/03/12/79/710031279.db2.gz OTHMSVHMSDASPW-RDTXWAMCSA-N 2 1 349.450 1.625 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001003167922 710079895 /nfs/dbraw/zinc/07/98/95/710079895.db2.gz PWXXXWRCSBOCHN-SFHVURJKSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001034491031 710110584 /nfs/dbraw/zinc/11/05/84/710110584.db2.gz PAXMSWRMBXWGJI-CVEARBPZSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)on1 ZINC001034491031 710110586 /nfs/dbraw/zinc/11/05/86/710110586.db2.gz PAXMSWRMBXWGJI-CVEARBPZSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)on1 ZINC001034491031 710110588 /nfs/dbraw/zinc/11/05/88/710110588.db2.gz PAXMSWRMBXWGJI-CVEARBPZSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)on1 ZINC001034491031 710110589 /nfs/dbraw/zinc/11/05/89/710110589.db2.gz PAXMSWRMBXWGJI-CVEARBPZSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003243553 710166812 /nfs/dbraw/zinc/16/68/12/710166812.db2.gz CJPIGFUSPNSYJU-UHFFFAOYSA-N 2 1 343.475 1.494 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC001003244160 710167147 /nfs/dbraw/zinc/16/71/47/710167147.db2.gz KWVRAOSPPLXLFB-UHFFFAOYSA-N 2 1 332.448 1.692 20 0 EDADMP C[C@@H](C[C@@H]1COCC[NH2+]1)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000423030867 710170305 /nfs/dbraw/zinc/17/03/05/710170305.db2.gz KBBFZKUXBXFGAX-DOTOQJQBSA-N 2 1 347.503 1.995 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001034525649 710176242 /nfs/dbraw/zinc/17/62/42/710176242.db2.gz NRZLHAAPBMJGEO-HUUCEWRRSA-N 2 1 329.435 1.954 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034525649 710176243 /nfs/dbraw/zinc/17/62/43/710176243.db2.gz NRZLHAAPBMJGEO-HUUCEWRRSA-N 2 1 329.435 1.954 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034525649 710176244 /nfs/dbraw/zinc/17/62/44/710176244.db2.gz NRZLHAAPBMJGEO-HUUCEWRRSA-N 2 1 329.435 1.954 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525694 710176299 /nfs/dbraw/zinc/17/62/99/710176299.db2.gz OUYUVSPWMBBVCB-WBVHZDCISA-N 2 1 333.480 1.151 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034525694 710176300 /nfs/dbraw/zinc/17/63/00/710176300.db2.gz OUYUVSPWMBBVCB-WBVHZDCISA-N 2 1 333.480 1.151 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034525694 710176303 /nfs/dbraw/zinc/17/63/03/710176303.db2.gz OUYUVSPWMBBVCB-WBVHZDCISA-N 2 1 333.480 1.151 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034526320 710178115 /nfs/dbraw/zinc/17/81/15/710178115.db2.gz WRWFYJYMLXSQDK-IRXDYDNUSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034526320 710178116 /nfs/dbraw/zinc/17/81/16/710178116.db2.gz WRWFYJYMLXSQDK-IRXDYDNUSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034526320 710178117 /nfs/dbraw/zinc/17/81/17/710178117.db2.gz WRWFYJYMLXSQDK-IRXDYDNUSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034526320 710178118 /nfs/dbraw/zinc/17/81/18/710178118.db2.gz WRWFYJYMLXSQDK-IRXDYDNUSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](CCn2cccn2)C1 ZINC001034526656 710178895 /nfs/dbraw/zinc/17/88/95/710178895.db2.gz ZRAGOLURGKNTHB-INIZCTEOSA-N 2 1 330.436 1.059 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](CCn2cccn2)C1 ZINC001034526656 710178898 /nfs/dbraw/zinc/17/88/98/710178898.db2.gz ZRAGOLURGKNTHB-INIZCTEOSA-N 2 1 330.436 1.059 20 0 EDADMP CO[C@@H](C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1)C1CCC1 ZINC001034529915 710186462 /nfs/dbraw/zinc/18/64/62/710186462.db2.gz QYQWRGQEHVOVPD-MSOLQXFVSA-N 2 1 348.491 1.977 20 0 EDADMP CO[C@@H](C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1)C1CCC1 ZINC001034529915 710186465 /nfs/dbraw/zinc/18/64/65/710186465.db2.gz QYQWRGQEHVOVPD-MSOLQXFVSA-N 2 1 348.491 1.977 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC001034611220 710285592 /nfs/dbraw/zinc/28/55/92/710285592.db2.gz IZZFVSDEDCRMSJ-RBSFLKMASA-N 2 1 347.463 1.558 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC001034611220 710285594 /nfs/dbraw/zinc/28/55/94/710285594.db2.gz IZZFVSDEDCRMSJ-RBSFLKMASA-N 2 1 347.463 1.558 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1ncccn1 ZINC001034647257 710323642 /nfs/dbraw/zinc/32/36/42/710323642.db2.gz BHUYPAIJYGABOT-WRQOLXDDSA-N 2 1 345.491 1.895 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034647600 710324328 /nfs/dbraw/zinc/32/43/28/710324328.db2.gz NFCLZXXHUFLOAI-QBPKDAKJSA-N 2 1 345.491 1.642 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001034648198 710324994 /nfs/dbraw/zinc/32/49/94/710324994.db2.gz ZMSYQMVVVGGHRF-KLHDSHLOSA-N 2 1 334.464 1.840 20 0 EDADMP CC[C@H](C(=O)N1CCC(C)([NH+]2CCC2)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000922171666 710337504 /nfs/dbraw/zinc/33/75/04/710337504.db2.gz NNJBPWKAKJOAJE-DLBZAZTESA-N 2 1 337.508 1.963 20 0 EDADMP CC[C@H](C(=O)N1CCC(C)([NH+]2CCC2)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000922171666 710337506 /nfs/dbraw/zinc/33/75/06/710337506.db2.gz NNJBPWKAKJOAJE-DLBZAZTESA-N 2 1 337.508 1.963 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](C[C@H](C)OC)CC2)C1 ZINC001003482308 710376647 /nfs/dbraw/zinc/37/66/47/710376647.db2.gz FROVSKOEDVYIMZ-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001061280318 710417224 /nfs/dbraw/zinc/41/72/24/710417224.db2.gz RBSYCHNVWCSIMW-HYVNUMGLSA-N 2 1 345.491 1.861 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001061280318 710417226 /nfs/dbraw/zinc/41/72/26/710417226.db2.gz RBSYCHNVWCSIMW-HYVNUMGLSA-N 2 1 345.491 1.861 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)ncn1 ZINC001003625451 710454787 /nfs/dbraw/zinc/45/47/87/710454787.db2.gz GKWSVVSRCUHGON-CQSZACIVSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)ncn1 ZINC001003625451 710454788 /nfs/dbraw/zinc/45/47/88/710454788.db2.gz GKWSVVSRCUHGON-CQSZACIVSA-N 2 1 331.464 1.207 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](C[C@@H]3CCCOC3)CC2)C1 ZINC001003626348 710455587 /nfs/dbraw/zinc/45/55/87/710455587.db2.gz BDHXFRBZHJZPLX-INIZCTEOSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001003636604 710456958 /nfs/dbraw/zinc/45/69/58/710456958.db2.gz WQGXTVABAIRPMA-WFASDCNBSA-N 2 1 329.435 1.810 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CCC[C@H]3CCOC3)CC2)C1 ZINC001003631136 710460474 /nfs/dbraw/zinc/46/04/74/710460474.db2.gz RKFLATWWRKMINZ-IRXDYDNUSA-N 2 1 337.508 1.726 20 0 EDADMP CCc1onc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003636241 710463162 /nfs/dbraw/zinc/46/31/62/710463162.db2.gz UIGMIWQHNHUNAW-XJKSGUPXSA-N 2 1 348.491 1.824 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](Cc2cncn2C)CC1)[NH+]1CCCCCC1 ZINC001003736642 710517816 /nfs/dbraw/zinc/51/78/16/710517816.db2.gz UWHFNAHANZZAMV-MRXNPFEDSA-N 2 1 347.507 1.765 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001034672406 710619626 /nfs/dbraw/zinc/61/96/26/710619626.db2.gz MQMYQHJMGLNRQC-DTZQCDIJSA-N 2 1 349.479 1.940 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC001034672406 710619627 /nfs/dbraw/zinc/61/96/27/710619627.db2.gz MQMYQHJMGLNRQC-DTZQCDIJSA-N 2 1 349.479 1.940 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001034674043 710637847 /nfs/dbraw/zinc/63/78/47/710637847.db2.gz JYTJKIQUQKUSQX-RBSFLKMASA-N 2 1 349.479 1.633 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC001034674043 710637849 /nfs/dbraw/zinc/63/78/49/710637849.db2.gz JYTJKIQUQKUSQX-RBSFLKMASA-N 2 1 349.479 1.633 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001034734258 710915765 /nfs/dbraw/zinc/91/57/65/710915765.db2.gz LRFOJLWWWHRXPV-RRCSTGOVSA-N 2 1 349.479 1.798 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001034734258 710915768 /nfs/dbraw/zinc/91/57/68/710915768.db2.gz LRFOJLWWWHRXPV-RRCSTGOVSA-N 2 1 349.479 1.798 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC001034734793 710918045 /nfs/dbraw/zinc/91/80/45/710918045.db2.gz YZSUHEOVWMXOCB-XIRDDKMYSA-N 2 1 333.480 1.279 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001034737250 710949125 /nfs/dbraw/zinc/94/91/25/710949125.db2.gz HYMSLJFJKKUSDM-DJIMGWMZSA-N 2 1 345.491 1.786 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1 ZINC001034738591 710954058 /nfs/dbraw/zinc/95/40/58/710954058.db2.gz ULEGIPCXSWYNRA-TUVASFSCSA-N 2 1 336.505 1.858 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)CC2)o1 ZINC001034748599 710955370 /nfs/dbraw/zinc/95/53/70/710955370.db2.gz XVHPIVPRZZDHHM-WKILWMFISA-N 2 1 349.479 1.627 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034778645 711082185 /nfs/dbraw/zinc/08/21/85/711082185.db2.gz KWPLYVKAVRIBHR-ULQDDVLXSA-N 2 1 347.507 1.762 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001032979320 711101152 /nfs/dbraw/zinc/10/11/52/711101152.db2.gz GXXUXGFVEXQLRB-OALUTQOASA-N 2 1 345.487 1.483 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC001032979320 711101156 /nfs/dbraw/zinc/10/11/56/711101156.db2.gz GXXUXGFVEXQLRB-OALUTQOASA-N 2 1 345.487 1.483 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCCc2ccccc2)C1 ZINC001032979320 711101159 /nfs/dbraw/zinc/10/11/59/711101159.db2.gz GXXUXGFVEXQLRB-OALUTQOASA-N 2 1 345.487 1.483 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCCc2ccccc2)C1 ZINC001032979320 711101161 /nfs/dbraw/zinc/10/11/61/711101161.db2.gz GXXUXGFVEXQLRB-OALUTQOASA-N 2 1 345.487 1.483 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC001034792426 711119073 /nfs/dbraw/zinc/11/90/73/711119073.db2.gz JPOODKXODSIPLX-KLHDSHLOSA-N 2 1 331.464 1.506 20 0 EDADMP Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001034792399 711119536 /nfs/dbraw/zinc/11/95/36/711119536.db2.gz IVKCJHAZJVZWRC-QAETUUGQSA-N 2 1 345.491 1.815 20 0 EDADMP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC001034818999 711206482 /nfs/dbraw/zinc/20/64/82/711206482.db2.gz URZXUKJSELDRHN-ROUUACIJSA-N 2 1 331.460 1.664 20 0 EDADMP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740700 711274889 /nfs/dbraw/zinc/27/48/89/711274889.db2.gz FYQNATJQKSSEIH-IPCDKGFNSA-N 2 1 349.519 1.819 20 0 EDADMP COc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001034881470 711282092 /nfs/dbraw/zinc/28/20/92/711282092.db2.gz IOIVVAUEQYZCKJ-NVXWUHKLSA-N 2 1 332.448 1.265 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001034885822 711290316 /nfs/dbraw/zinc/29/03/16/711290316.db2.gz ZYENQVARROEPKN-IAGOWNOFSA-N 2 1 347.507 1.813 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001034953687 711418383 /nfs/dbraw/zinc/41/83/83/711418383.db2.gz GNWDAUJZWSCFCQ-IAGOWNOFSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001034953687 711418388 /nfs/dbraw/zinc/41/83/88/711418388.db2.gz GNWDAUJZWSCFCQ-IAGOWNOFSA-N 2 1 348.495 1.253 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001034958180 711431097 /nfs/dbraw/zinc/43/10/97/711431097.db2.gz CSBQNSPBUDDAKA-HZPDHXFCSA-N 2 1 348.495 1.159 20 0 EDADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]Cc1cscn1 ZINC001034941203 711445716 /nfs/dbraw/zinc/44/57/16/711445716.db2.gz LEGFJTQURPQFIU-CVEARBPZSA-N 2 1 334.489 1.566 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnn(CCF)c3)C2)[C@H]1C(C)C ZINC000922392093 711457365 /nfs/dbraw/zinc/45/73/65/711457365.db2.gz CTTXQWXQABYYNN-BRSBDYLESA-N 2 1 338.471 1.812 20 0 EDADMP CCCn1cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](CC)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000922395568 711469299 /nfs/dbraw/zinc/46/92/99/711469299.db2.gz TXEFXZIZIIZDBD-BDXSIMOUSA-N 2 1 335.496 1.648 20 0 EDADMP CCCn1cc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000922395568 711469301 /nfs/dbraw/zinc/46/93/01/711469301.db2.gz TXEFXZIZIIZDBD-BDXSIMOUSA-N 2 1 335.496 1.648 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922465342 711580980 /nfs/dbraw/zinc/58/09/80/711580980.db2.gz BAWJCRSGSCEGSY-HRCADAONSA-N 2 1 340.537 1.740 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922465342 711580983 /nfs/dbraw/zinc/58/09/83/711580983.db2.gz BAWJCRSGSCEGSY-HRCADAONSA-N 2 1 340.537 1.740 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000922465342 711580987 /nfs/dbraw/zinc/58/09/87/711580987.db2.gz BAWJCRSGSCEGSY-HRCADAONSA-N 2 1 340.537 1.740 20 0 EDADMP COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)CC[C@@H]2C1 ZINC000946614538 711861323 /nfs/dbraw/zinc/86/13/23/711861323.db2.gz BONWLXIACFCPQQ-OAGGEKHMSA-N 2 1 334.464 1.548 20 0 EDADMP COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)CC[C@@H]2C1 ZINC000946614538 711861324 /nfs/dbraw/zinc/86/13/24/711861324.db2.gz BONWLXIACFCPQQ-OAGGEKHMSA-N 2 1 334.464 1.548 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033126425 711889706 /nfs/dbraw/zinc/88/97/06/711889706.db2.gz NBFIZOMGWHWGCY-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033126425 711889708 /nfs/dbraw/zinc/88/97/08/711889708.db2.gz NBFIZOMGWHWGCY-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]3CC2)C1 ZINC000946621260 711908062 /nfs/dbraw/zinc/90/80/62/711908062.db2.gz REZGCDKDJXMTSL-KSZLIROESA-N 2 1 337.508 1.127 20 0 EDADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]3CC2)C1 ZINC000946621260 711908064 /nfs/dbraw/zinc/90/80/64/711908064.db2.gz REZGCDKDJXMTSL-KSZLIROESA-N 2 1 337.508 1.127 20 0 EDADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]3CC2)C1 ZINC000946621260 711908065 /nfs/dbraw/zinc/90/80/65/711908065.db2.gz REZGCDKDJXMTSL-KSZLIROESA-N 2 1 337.508 1.127 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C1CCOCC1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033139460 711932730 /nfs/dbraw/zinc/93/27/30/711932730.db2.gz GIFDJNMZQNWRKC-RBUKOAKNSA-N 2 1 349.519 1.963 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033139460 711932731 /nfs/dbraw/zinc/93/27/31/711932731.db2.gz GIFDJNMZQNWRKC-RBUKOAKNSA-N 2 1 349.519 1.963 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCOCC1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033139460 711932733 /nfs/dbraw/zinc/93/27/33/711932733.db2.gz GIFDJNMZQNWRKC-RBUKOAKNSA-N 2 1 349.519 1.963 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@H]2CC[NH+](CCn3cccn3)C2)C1 ZINC001033144009 711959491 /nfs/dbraw/zinc/95/94/91/711959491.db2.gz PKPVASMMBQWAJI-ROUUACIJSA-N 2 1 347.507 1.394 20 0 EDADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCn3cccn3)C2)C1 ZINC001033144009 711959493 /nfs/dbraw/zinc/95/94/93/711959493.db2.gz PKPVASMMBQWAJI-ROUUACIJSA-N 2 1 347.507 1.394 20 0 EDADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCn3cccn3)C2)C1 ZINC001033144009 711959495 /nfs/dbraw/zinc/95/94/95/711959495.db2.gz PKPVASMMBQWAJI-ROUUACIJSA-N 2 1 347.507 1.394 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([C@H]2CCC[NH+]2CCCO)CC1 ZINC001004549480 711960499 /nfs/dbraw/zinc/96/04/99/711960499.db2.gz ZKHHNGDYEPAJCI-FUHWJXTLSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004549480 711960501 /nfs/dbraw/zinc/96/05/01/711960501.db2.gz ZKHHNGDYEPAJCI-FUHWJXTLSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004549480 711960503 /nfs/dbraw/zinc/96/05/03/711960503.db2.gz ZKHHNGDYEPAJCI-FUHWJXTLSA-N 2 1 337.508 1.556 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144634 711968484 /nfs/dbraw/zinc/96/84/84/711968484.db2.gz ZVWVGGJQERGRTB-FUHWJXTLSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033144634 711968485 /nfs/dbraw/zinc/96/84/85/711968485.db2.gz ZVWVGGJQERGRTB-FUHWJXTLSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144634 711968487 /nfs/dbraw/zinc/96/84/87/711968487.db2.gz ZVWVGGJQERGRTB-FUHWJXTLSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144634 711968488 /nfs/dbraw/zinc/96/84/88/711968488.db2.gz ZVWVGGJQERGRTB-FUHWJXTLSA-N 2 1 348.491 1.994 20 0 EDADMP CO[C@@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004615891 712075549 /nfs/dbraw/zinc/07/55/49/712075549.db2.gz IVDUSMSHUMFEKR-FUHWJXTLSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CCF)CC2)C1 ZINC001004618030 712078265 /nfs/dbraw/zinc/07/82/65/712078265.db2.gz AMEDEVKZXGVSPP-IAGOWNOFSA-N 2 1 341.471 1.380 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CCF)CC2)C1 ZINC001004618030 712078266 /nfs/dbraw/zinc/07/82/66/712078266.db2.gz AMEDEVKZXGVSPP-IAGOWNOFSA-N 2 1 341.471 1.380 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CCF)CC2)C1 ZINC001004618030 712078267 /nfs/dbraw/zinc/07/82/67/712078267.db2.gz AMEDEVKZXGVSPP-IAGOWNOFSA-N 2 1 341.471 1.380 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CCF)CC2)C1 ZINC001004618030 712078269 /nfs/dbraw/zinc/07/82/69/712078269.db2.gz AMEDEVKZXGVSPP-IAGOWNOFSA-N 2 1 341.471 1.380 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000370121666 282149777 /nfs/dbraw/zinc/14/97/77/282149777.db2.gz LQSPWQUXJWAVDO-MRXNPFEDSA-N 2 1 331.460 1.543 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000344599268 282208731 /nfs/dbraw/zinc/20/87/31/282208731.db2.gz VKKCQGFSWXAIDD-QKPAOTATSA-N 2 1 341.521 1.134 20 0 EDADMP CCC(CC)[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000359803069 282252061 /nfs/dbraw/zinc/25/20/61/282252061.db2.gz UPNVAHGNEDSBHN-HYVNUMGLSA-N 2 1 325.497 1.532 20 0 EDADMP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H](C)C1 ZINC000559051352 306249878 /nfs/dbraw/zinc/24/98/78/306249878.db2.gz GQYQHVKVDQVIPK-DZKIICNBSA-N 2 1 348.495 1.358 20 0 EDADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H](C)C1 ZINC000559051352 306249879 /nfs/dbraw/zinc/24/98/79/306249879.db2.gz GQYQHVKVDQVIPK-DZKIICNBSA-N 2 1 348.495 1.358 20 0 EDADMP CCC(CC)[C@H](C(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000361098761 282255852 /nfs/dbraw/zinc/25/58/52/282255852.db2.gz UYZFTAYFFVNNNV-KZNAEPCWSA-N 2 1 337.508 1.628 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000171715359 529865913 /nfs/dbraw/zinc/86/59/13/529865913.db2.gz WJBQEKSTXDJNQZ-KRWDZBQOSA-N 2 1 329.444 1.588 20 0 EDADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000132998622 529916091 /nfs/dbraw/zinc/91/60/91/529916091.db2.gz PHVXLGMBKSUYPS-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000132998622 529916092 /nfs/dbraw/zinc/91/60/92/529916092.db2.gz PHVXLGMBKSUYPS-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000132998622 529916093 /nfs/dbraw/zinc/91/60/93/529916093.db2.gz PHVXLGMBKSUYPS-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000132998622 529916094 /nfs/dbraw/zinc/91/60/94/529916094.db2.gz PHVXLGMBKSUYPS-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000101641744 219150170 /nfs/dbraw/zinc/15/01/70/219150170.db2.gz GQSLKAOZGROYKD-UHFFFAOYSA-N 2 1 332.492 1.506 20 0 EDADMP C[N@@H+](CCN1CC[NH+](CCn2cccn2)CC1)Cc1ccccc1 ZINC000066534503 215051131 /nfs/dbraw/zinc/05/11/31/215051131.db2.gz IDGWZXSTMOZVHM-UHFFFAOYSA-N 2 1 327.476 1.633 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000103150306 219262876 /nfs/dbraw/zinc/26/28/76/219262876.db2.gz KEGTWHBHOYOGNF-UHFFFAOYSA-N 2 1 337.386 1.195 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000412423675 304006514 /nfs/dbraw/zinc/00/65/14/304006514.db2.gz UFGNPZBYSARSHU-RDJZCZTQSA-N 2 1 325.497 1.628 20 0 EDADMP C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000103298083 219285949 /nfs/dbraw/zinc/28/59/49/219285949.db2.gz YXSJUZBEPAUVHL-GOSISDBHSA-N 2 1 344.503 1.944 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000561464883 306287876 /nfs/dbraw/zinc/28/78/76/306287876.db2.gz XCPJLXSMKXPHCD-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000561464883 306287877 /nfs/dbraw/zinc/28/78/77/306287877.db2.gz XCPJLXSMKXPHCD-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000352886994 539928517 /nfs/dbraw/zinc/92/85/17/539928517.db2.gz IOVQCZGMLKVOCD-KURKYZTESA-N 2 1 327.513 1.264 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)c2cccc(N3CCN(C)CC3)n2)c2nccn21 ZINC000562938640 306312995 /nfs/dbraw/zinc/31/29/95/306312995.db2.gz CNLZLLCMEQOLFD-DZGCQCFKSA-N 2 1 340.431 1.466 20 0 EDADMP Cc1ccn2cc(CNC(=O)NC[C@H]3CCCC[N@H+]3CCO)nc2c1 ZINC000563013240 306315808 /nfs/dbraw/zinc/31/58/08/306315808.db2.gz HMYRMFJQTYUBSI-MRXNPFEDSA-N 2 1 345.447 1.289 20 0 EDADMP C[NH2+][C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1cnn(C)c1 ZINC000563086564 306318415 /nfs/dbraw/zinc/31/84/15/306318415.db2.gz OJIJXVNXOQUONS-QGZVFWFLSA-N 2 1 342.447 1.108 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2([NH3+])C[C@H](OCC)C2(C)C)C1 ZINC000249074478 283060692 /nfs/dbraw/zinc/06/06/92/283060692.db2.gz NEDLBZPWSHPEDJ-MPGHIAIKSA-N 2 1 325.497 1.709 20 0 EDADMP COCCCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC[NH+](C)CC1 ZINC000563265664 306325297 /nfs/dbraw/zinc/32/52/97/306325297.db2.gz ZSCKCIBWJPVPMT-MRXNPFEDSA-N 2 1 348.491 1.713 20 0 EDADMP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NC(C1CC1)C1CC1 ZINC000069029204 138197118 /nfs/dbraw/zinc/19/71/18/138197118.db2.gz UVVSPGBOYVGCLM-UHFFFAOYSA-N 2 1 335.492 1.335 20 0 EDADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000093770417 138294461 /nfs/dbraw/zinc/29/44/61/138294461.db2.gz KDQDGVZAKVAXDV-INIZCTEOSA-N 2 1 333.476 1.927 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000093770417 138294462 /nfs/dbraw/zinc/29/44/62/138294462.db2.gz KDQDGVZAKVAXDV-INIZCTEOSA-N 2 1 333.476 1.927 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000093770417 138294463 /nfs/dbraw/zinc/29/44/63/138294463.db2.gz KDQDGVZAKVAXDV-INIZCTEOSA-N 2 1 333.476 1.927 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000093770417 138294464 /nfs/dbraw/zinc/29/44/64/138294464.db2.gz KDQDGVZAKVAXDV-INIZCTEOSA-N 2 1 333.476 1.927 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000123360010 138318905 /nfs/dbraw/zinc/31/89/05/138318905.db2.gz KTICLXVNBZUDBL-MRXNPFEDSA-N 2 1 333.480 1.939 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000123360010 138318906 /nfs/dbraw/zinc/31/89/06/138318906.db2.gz KTICLXVNBZUDBL-MRXNPFEDSA-N 2 1 333.480 1.939 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000123360010 138318907 /nfs/dbraw/zinc/31/89/07/138318907.db2.gz KTICLXVNBZUDBL-MRXNPFEDSA-N 2 1 333.480 1.939 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000123360010 138318908 /nfs/dbraw/zinc/31/89/08/138318908.db2.gz KTICLXVNBZUDBL-MRXNPFEDSA-N 2 1 333.480 1.939 20 0 EDADMP CC[C@H](C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+](C)C ZINC000125084429 138331954 /nfs/dbraw/zinc/33/19/54/138331954.db2.gz NCLYCCXZCXUKTF-HLLBOEOZSA-N 2 1 325.497 1.674 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130673751 138344560 /nfs/dbraw/zinc/34/45/60/138344560.db2.gz QWXGCJPMEDESMW-GDBMZVCRSA-N 2 1 335.496 1.480 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000563609795 306341721 /nfs/dbraw/zinc/34/17/21/306341721.db2.gz PINLCIIWNFVSDN-AEFFLSMTSA-N 2 1 346.475 1.281 20 0 EDADMP COC(=O)[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC[N@H+](C)C1 ZINC000413926564 304090906 /nfs/dbraw/zinc/09/09/06/304090906.db2.gz WMDKPNAUVIQBEL-CVEARBPZSA-N 2 1 339.480 1.060 20 0 EDADMP COC(=O)[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC[N@@H+](C)C1 ZINC000413926564 304090907 /nfs/dbraw/zinc/09/09/07/304090907.db2.gz WMDKPNAUVIQBEL-CVEARBPZSA-N 2 1 339.480 1.060 20 0 EDADMP C[NH+](C)C[C@H]1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000129504953 223063167 /nfs/dbraw/zinc/06/31/67/223063167.db2.gz NGJOFQHDYTUCQI-MRXNPFEDSA-N 2 1 330.476 1.638 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129793126 223092201 /nfs/dbraw/zinc/09/22/01/223092201.db2.gz IDYJZZUROHWRFW-SFHVURJKSA-N 2 1 335.492 1.304 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)[C@H](C)C1 ZINC000414184908 304104858 /nfs/dbraw/zinc/10/48/58/304104858.db2.gz GAPSMXNZVZGNSS-MSOLQXFVSA-N 3 1 338.540 1.103 20 0 EDADMP CCN1CC[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)[C@H](C)C1 ZINC000414184908 304104859 /nfs/dbraw/zinc/10/48/59/304104859.db2.gz GAPSMXNZVZGNSS-MSOLQXFVSA-N 2 1 338.540 1.103 20 0 EDADMP COCCNC(=O)C1([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000414175128 304104532 /nfs/dbraw/zinc/10/45/32/304104532.db2.gz BQFOXHIHGPNERI-SJLPKXTDSA-N 2 1 345.487 1.782 20 0 EDADMP COCCNC(=O)C1([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000414175128 304104534 /nfs/dbraw/zinc/10/45/34/304104534.db2.gz BQFOXHIHGPNERI-SJLPKXTDSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000565753245 306390716 /nfs/dbraw/zinc/39/07/16/306390716.db2.gz QXEPIDMVWQTCJH-HBUWYVDXSA-N 2 1 330.476 1.671 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000565753245 306390717 /nfs/dbraw/zinc/39/07/17/306390717.db2.gz QXEPIDMVWQTCJH-HBUWYVDXSA-N 2 1 330.476 1.671 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000565753245 306390718 /nfs/dbraw/zinc/39/07/18/306390718.db2.gz QXEPIDMVWQTCJH-HBUWYVDXSA-N 2 1 330.476 1.671 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000565753245 306390719 /nfs/dbraw/zinc/39/07/19/306390719.db2.gz QXEPIDMVWQTCJH-HBUWYVDXSA-N 2 1 330.476 1.671 20 0 EDADMP C[NH2+]C[C@@](C)(O)CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000565778010 306391391 /nfs/dbraw/zinc/39/13/91/306391391.db2.gz BLLHATJODUVCGT-QGZVFWFLSA-N 2 1 341.883 1.307 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841301 306393392 /nfs/dbraw/zinc/39/33/92/306393392.db2.gz RGOLRZRLZJSARU-CVEARBPZSA-N 2 1 334.464 1.353 20 0 EDADMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841301 306393393 /nfs/dbraw/zinc/39/33/93/306393393.db2.gz RGOLRZRLZJSARU-CVEARBPZSA-N 2 1 334.464 1.353 20 0 EDADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841301 306393394 /nfs/dbraw/zinc/39/33/94/306393394.db2.gz RGOLRZRLZJSARU-CVEARBPZSA-N 2 1 334.464 1.353 20 0 EDADMP C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C(C)(C)C[NH+](C)C ZINC000458522762 296081564 /nfs/dbraw/zinc/08/15/64/296081564.db2.gz PPPITKOLZQLIPL-CABCVRRESA-N 2 1 328.501 1.109 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000414715771 304132298 /nfs/dbraw/zinc/13/22/98/304132298.db2.gz XOYRDNVBJOJBBY-GJZGRUSLSA-N 2 1 346.475 1.724 20 0 EDADMP CCc1ccc([C@@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCO2)cc1 ZINC000414759657 304137965 /nfs/dbraw/zinc/13/79/65/304137965.db2.gz WQWCLRFXQKMPQP-HKUYNNGSSA-N 2 1 345.487 1.820 20 0 EDADMP Cc1cc(C)n2c(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cnc2n1 ZINC000414771756 304138970 /nfs/dbraw/zinc/13/89/70/304138970.db2.gz AMJNFRGEJCYHLZ-HNNXBMFYSA-N 2 1 329.448 1.533 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000414988721 304148128 /nfs/dbraw/zinc/14/81/28/304148128.db2.gz PVWPOKOKLHTBEP-MRXNPFEDSA-N 2 1 346.475 1.439 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CC[NH2+]C1 ZINC000415092057 304158738 /nfs/dbraw/zinc/15/87/38/304158738.db2.gz RYWRCVQXHBYLBM-IPELMVKDSA-N 3 1 344.503 1.472 20 0 EDADMP C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CC[NH2+]C1 ZINC000415092057 304158741 /nfs/dbraw/zinc/15/87/41/304158741.db2.gz RYWRCVQXHBYLBM-IPELMVKDSA-N 2 1 344.503 1.472 20 0 EDADMP C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CC[NH2+]C1 ZINC000415092057 304158743 /nfs/dbraw/zinc/15/87/43/304158743.db2.gz RYWRCVQXHBYLBM-IPELMVKDSA-N 2 1 344.503 1.472 20 0 EDADMP C[C@H](Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[NH2+]C1 ZINC000415116784 304161392 /nfs/dbraw/zinc/16/13/92/304161392.db2.gz IERIYWBGZOYXBN-ZMSDIMECSA-N 2 1 330.476 1.794 20 0 EDADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415136157 304163174 /nfs/dbraw/zinc/16/31/74/304163174.db2.gz HFSRJJUTTQUUPQ-ROUUACIJSA-N 2 1 346.450 1.854 20 0 EDADMP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195253780 139011495 /nfs/dbraw/zinc/01/14/95/139011495.db2.gz RUOGJXKIRRRYBX-BBWFWOEESA-N 2 1 331.485 1.454 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415142049 304163960 /nfs/dbraw/zinc/16/39/60/304163960.db2.gz QPCOYAUDTGUPKG-LVLPYEQSSA-N 2 1 340.471 1.920 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415143544 304164193 /nfs/dbraw/zinc/16/41/93/304164193.db2.gz AZQZYEFBIOBSJB-CVEARBPZSA-N 2 1 344.459 1.430 20 0 EDADMP CCC(CC)(C[NH3+])NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236754744 139030456 /nfs/dbraw/zinc/03/04/56/139030456.db2.gz QMVFKNDVAQJNSU-QGZVFWFLSA-N 2 1 333.476 1.911 20 0 EDADMP CCC(CC)(C[NH3+])NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236754744 139030457 /nfs/dbraw/zinc/03/04/57/139030457.db2.gz QMVFKNDVAQJNSU-QGZVFWFLSA-N 2 1 333.476 1.911 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236759832 139030600 /nfs/dbraw/zinc/03/06/00/139030600.db2.gz MXOCOYSQRVVRIV-YVSFHVDLSA-N 2 1 327.513 1.952 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236759832 139030601 /nfs/dbraw/zinc/03/06/01/139030601.db2.gz MXOCOYSQRVVRIV-YVSFHVDLSA-N 2 1 327.513 1.952 20 0 EDADMP C[NH2+]CCCC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000237241223 139045471 /nfs/dbraw/zinc/04/54/71/139045471.db2.gz VKKHYPVMFCTEKH-UHFFFAOYSA-N 2 1 334.464 1.251 20 0 EDADMP C[NH2+]CCCC(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000237241223 139045472 /nfs/dbraw/zinc/04/54/72/139045472.db2.gz VKKHYPVMFCTEKH-UHFFFAOYSA-N 2 1 334.464 1.251 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC[N@@H+]1C ZINC000415173379 304170877 /nfs/dbraw/zinc/17/08/77/304170877.db2.gz QAEDAPCLMHXDTH-CJNGLKHVSA-N 2 1 332.448 1.443 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC[N@H+]1C ZINC000415173379 304170878 /nfs/dbraw/zinc/17/08/78/304170878.db2.gz QAEDAPCLMHXDTH-CJNGLKHVSA-N 2 1 332.448 1.443 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424143934 284347193 /nfs/dbraw/zinc/34/71/93/284347193.db2.gz KGASDBGXPGFODT-LSDHHAIUSA-N 2 1 333.480 1.301 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000237493085 139052499 /nfs/dbraw/zinc/05/24/99/139052499.db2.gz AWQRVFBEWJLGEV-QXAKKESOSA-N 2 1 344.503 1.561 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000238086350 139068643 /nfs/dbraw/zinc/06/86/43/139068643.db2.gz USTRELVXCDRREI-KRWDZBQOSA-N 2 1 333.501 1.646 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC[C@@H]1CCC[NH2+]C1 ZINC000238131090 139069369 /nfs/dbraw/zinc/06/93/69/139069369.db2.gz JQHDRFWHUUYQGF-SFHVURJKSA-N 2 1 344.503 1.310 20 0 EDADMP CC(C)COC[C@H](O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245526466 139078005 /nfs/dbraw/zinc/07/80/05/139078005.db2.gz PHLPTOMAPMJIKD-QZTJIDSGSA-N 2 1 327.513 1.122 20 0 EDADMP CC(C)COC[C@H](O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245526466 139078006 /nfs/dbraw/zinc/07/80/06/139078006.db2.gz PHLPTOMAPMJIKD-QZTJIDSGSA-N 2 1 327.513 1.122 20 0 EDADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+](C2CC2)C1 ZINC000415258156 304180230 /nfs/dbraw/zinc/18/02/30/304180230.db2.gz RFPCVJSRQPYAJE-CYBMUJFWSA-N 2 1 342.443 1.171 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2c2cc(NC)ncn2)[C@H](C)C1 ZINC000246264146 139101568 /nfs/dbraw/zinc/10/15/68/139101568.db2.gz ABJGBTLLZMRREI-OAGGEKHMSA-N 2 1 332.496 1.807 20 0 EDADMP O[C@H](COC1CCOCC1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246802785 139122315 /nfs/dbraw/zinc/12/23/15/139122315.db2.gz MWTVKQCFBUEGPR-HHXXYDBFSA-N 2 1 338.492 1.492 20 0 EDADMP O[C@H](COC1CCOCC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246802785 139122316 /nfs/dbraw/zinc/12/23/16/139122316.db2.gz MWTVKQCFBUEGPR-HHXXYDBFSA-N 2 1 338.492 1.492 20 0 EDADMP O[C@H](COC1CCOCC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246802785 139122317 /nfs/dbraw/zinc/12/23/17/139122317.db2.gz MWTVKQCFBUEGPR-HHXXYDBFSA-N 2 1 338.492 1.492 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC000246927942 139127371 /nfs/dbraw/zinc/12/73/71/139127371.db2.gz NDWUBFLRBVKRAS-FUHWJXTLSA-N 2 1 334.508 1.987 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000246996186 139130338 /nfs/dbraw/zinc/13/03/38/139130338.db2.gz KKKCIHZZCDUDEW-BBRMVZONSA-N 2 1 325.478 1.196 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)c2C1 ZINC000415343848 304199075 /nfs/dbraw/zinc/19/90/75/304199075.db2.gz MCPRTJLWKKMPSF-ZDUSSCGKSA-N 2 1 330.432 1.171 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)c2C1 ZINC000415343848 304199077 /nfs/dbraw/zinc/19/90/77/304199077.db2.gz MCPRTJLWKKMPSF-ZDUSSCGKSA-N 2 1 330.432 1.171 20 0 EDADMP CN(C)C(=O)Cc1nc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cs1 ZINC000247974806 139156636 /nfs/dbraw/zinc/15/66/36/139156636.db2.gz HROYVWSCFQFPDE-DZGCQCFKSA-N 2 1 336.505 1.690 20 0 EDADMP CCCN(C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)[C@H]1CC[NH2+]C1 ZINC000415395484 304212706 /nfs/dbraw/zinc/21/27/06/304212706.db2.gz SBRYDIMKAUVVSD-AWEZNQCLSA-N 2 1 329.404 1.182 20 0 EDADMP CN(C(=O)[C@H](c1ccccc1)N1CCC(O)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000248457200 139164973 /nfs/dbraw/zinc/16/49/73/139164973.db2.gz OMGVKPBMCAXLJQ-HKUYNNGSSA-N 2 1 345.487 1.737 20 0 EDADMP CN(C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000248457200 139164974 /nfs/dbraw/zinc/16/49/74/139164974.db2.gz OMGVKPBMCAXLJQ-HKUYNNGSSA-N 2 1 345.487 1.737 20 0 EDADMP Cc1cc2ncn(C[C@H](O)C[N@H+](C)[C@H](C)C[S@@](C)=O)c2cc1C ZINC000248604126 139168617 /nfs/dbraw/zinc/16/86/17/139168617.db2.gz FAQCRGRJYHDNRS-GGOJBBCOSA-N 2 1 337.489 1.713 20 0 EDADMP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC1(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)COC1 ZINC000248820434 139176207 /nfs/dbraw/zinc/17/62/07/139176207.db2.gz IUYHAWXRRMDOAV-FDPKGLCPSA-N 2 1 340.508 1.470 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000248818768 139176342 /nfs/dbraw/zinc/17/63/42/139176342.db2.gz UYXPGDMTJPGHEB-FPAYPSAMSA-N 2 1 345.487 1.326 20 0 EDADMP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000249375050 139191970 /nfs/dbraw/zinc/19/19/70/139191970.db2.gz XXCKRXLFPDJCHJ-PKOBYXMFSA-N 2 1 346.519 1.679 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000255843702 139208255 /nfs/dbraw/zinc/20/82/55/139208255.db2.gz LVACCOAOEAWZJA-BZUAXINKSA-N 2 1 340.512 1.658 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000255843702 139208256 /nfs/dbraw/zinc/20/82/56/139208256.db2.gz LVACCOAOEAWZJA-BZUAXINKSA-N 2 1 340.512 1.658 20 0 EDADMP Brc1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cs1 ZINC000261589898 139209361 /nfs/dbraw/zinc/20/93/61/139209361.db2.gz WQCDHHDVANAGOZ-LBPRGKRZSA-N 2 1 330.295 1.990 20 0 EDADMP Brc1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cs1 ZINC000261589898 139209362 /nfs/dbraw/zinc/20/93/62/139209362.db2.gz WQCDHHDVANAGOZ-LBPRGKRZSA-N 2 1 330.295 1.990 20 0 EDADMP COC[C@]1(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261555630 139208926 /nfs/dbraw/zinc/20/89/26/139208926.db2.gz BNQFWTMWSHFYLJ-QRFRQXIXSA-N 2 1 345.487 1.639 20 0 EDADMP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261765661 139224168 /nfs/dbraw/zinc/22/41/68/139224168.db2.gz WEVQPQHZVUHUBR-MRXNPFEDSA-N 2 1 332.448 1.003 20 0 EDADMP CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261765661 139224169 /nfs/dbraw/zinc/22/41/69/139224169.db2.gz WEVQPQHZVUHUBR-MRXNPFEDSA-N 2 1 332.448 1.003 20 0 EDADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000261819632 139228760 /nfs/dbraw/zinc/22/87/60/139228760.db2.gz XVGNVCAQKFNTBR-LJQANCHMSA-N 2 1 344.459 1.813 20 0 EDADMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000261854525 139231686 /nfs/dbraw/zinc/23/16/86/139231686.db2.gz JSVRJGLIRXZRBZ-JQHSSLGASA-N 2 1 326.444 1.781 20 0 EDADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261873224 139233034 /nfs/dbraw/zinc/23/30/34/139233034.db2.gz DJAJXLTYOQNICB-RCCFBDPRSA-N 2 1 339.524 1.623 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000261988060 139242093 /nfs/dbraw/zinc/24/20/93/139242093.db2.gz JYBJHZQRMNNCJJ-INIZCTEOSA-N 2 1 342.447 1.087 20 0 EDADMP CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)no1 ZINC000262006144 139243384 /nfs/dbraw/zinc/24/33/84/139243384.db2.gz UOAGIEHGEJKBGN-OAHLLOKOSA-N 2 1 335.452 1.054 20 0 EDADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261985765 139241830 /nfs/dbraw/zinc/24/18/30/139241830.db2.gz SDDZPGXZHUEALT-QRVBRYPASA-N 2 1 347.459 1.771 20 0 EDADMP O=C(NCC1C[NH2+]C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000262021902 139244543 /nfs/dbraw/zinc/24/45/43/139244543.db2.gz MNIFJBNEKJUUQS-MRXNPFEDSA-N 2 1 341.377 1.777 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc(N)s3)CC2)CC1 ZINC000262060579 139247589 /nfs/dbraw/zinc/24/75/89/139247589.db2.gz RCXDJVGGNKDQOV-UHFFFAOYSA-N 2 1 337.493 1.101 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1OC(C)C ZINC000262164987 139256600 /nfs/dbraw/zinc/25/66/00/139256600.db2.gz UCGBBRAQHDTLAV-KRWDZBQOSA-N 2 1 333.476 1.962 20 0 EDADMP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262303493 139268368 /nfs/dbraw/zinc/26/83/68/139268368.db2.gz BTORMZOQWHQPNW-RISCZKNCSA-N 2 1 329.366 1.991 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000417098414 251143156 /nfs/dbraw/zinc/14/31/56/251143156.db2.gz BQTROVUZVMMKGZ-BZUAXINKSA-N 2 1 348.491 1.690 20 0 EDADMP C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)[C@@H](C[NH3+])C1 ZINC000417256490 251150089 /nfs/dbraw/zinc/15/00/89/251150089.db2.gz GDZFAAQMJOVLGC-UKRRQHHQSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@@H]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)[C@@H](C[NH3+])C1 ZINC000417256490 251150091 /nfs/dbraw/zinc/15/00/91/251150091.db2.gz GDZFAAQMJOVLGC-UKRRQHHQSA-N 2 1 336.505 1.875 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N(C)C1CC([NH3+])C1)c1ccccc1 ZINC000417495810 251179986 /nfs/dbraw/zinc/17/99/86/251179986.db2.gz UXBZEYJOACAFFG-ABHNRTSZSA-N 2 1 348.491 1.827 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417519679 251183240 /nfs/dbraw/zinc/18/32/40/251183240.db2.gz VQWCEGUWEYFASY-QZTJIDSGSA-N 2 1 348.491 1.747 20 0 EDADMP C[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000417657132 251216236 /nfs/dbraw/zinc/21/62/36/251216236.db2.gz XRSHBTJDZTZJIG-CQSZACIVSA-N 2 1 344.381 1.798 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])C2CC2)[C@@H](C)C1 ZINC000417666497 251219705 /nfs/dbraw/zinc/21/97/05/251219705.db2.gz CXUHTWJDDIQIAK-IMJJTQAJSA-N 2 1 326.485 1.160 20 0 EDADMP C[NH2+]CCC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000262429132 139278515 /nfs/dbraw/zinc/27/85/15/139278515.db2.gz SRWZPRDLEGLJBV-UHFFFAOYSA-N 2 1 330.432 1.522 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000417696460 251233059 /nfs/dbraw/zinc/23/30/59/251233059.db2.gz GTWDHAMFCDCWPS-OAGGEKHMSA-N 2 1 326.485 1.399 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NCC3=CC[NH2+]CC3)CC2)[nH+]1 ZINC000417706323 251236293 /nfs/dbraw/zinc/23/62/93/251236293.db2.gz WBYVAXKEYATQFQ-UHFFFAOYSA-N 2 1 329.448 1.578 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)C2CC([NH3+])C2)[C@H](C)C1 ZINC000417670234 251222027 /nfs/dbraw/zinc/22/20/27/251222027.db2.gz NNDGAASCNBOYEX-LMPOIIKSSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000417730522 251246666 /nfs/dbraw/zinc/24/66/66/251246666.db2.gz MRSODCHLWNWRCO-JZXOWHBKSA-N 2 1 345.491 1.186 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)Cc1ccc(F)cc1 ZINC000417832586 251290131 /nfs/dbraw/zinc/29/01/31/251290131.db2.gz TXBNJYINMYDBRX-RDJZCZTQSA-N 2 1 334.439 1.651 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)Cc1ccc(F)cc1 ZINC000417834850 251290968 /nfs/dbraw/zinc/29/09/68/251290968.db2.gz VPSYJZZTRZDJKB-CALCHBBNSA-N 2 1 348.466 1.899 20 0 EDADMP C[C@H](CCNC(=O)NCCN1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000417807943 251278301 /nfs/dbraw/zinc/27/83/01/251278301.db2.gz DVZGMEZETRIXJB-QGZVFWFLSA-N 2 1 347.507 1.101 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CCCO1 ZINC000418122818 251335777 /nfs/dbraw/zinc/33/57/77/251335777.db2.gz YITFDDUZAPPRFK-RDJZCZTQSA-N 2 1 326.485 1.176 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000418477615 251373809 /nfs/dbraw/zinc/37/38/09/251373809.db2.gz YHDMUGUPQRDUQW-CABCVRRESA-N 2 1 326.485 1.399 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418474628 251374141 /nfs/dbraw/zinc/37/41/41/251374141.db2.gz PTUZSIRGGWCVQP-QFBILLFUSA-N 2 1 330.476 1.889 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418346901 251362379 /nfs/dbraw/zinc/36/23/79/251362379.db2.gz MVRZDVONZIALIC-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000418704815 251389577 /nfs/dbraw/zinc/38/95/77/251389577.db2.gz GLTRDTPGQSFCDA-INIZCTEOSA-N 2 1 333.480 1.187 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1[NH+]1CCOCC1 ZINC000418712296 251393936 /nfs/dbraw/zinc/39/39/36/251393936.db2.gz GMDVHZJYVBEBPS-NCOADZHNSA-N 2 1 338.496 1.256 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H](C)CCCC[NH3+])C[C@H]1CC ZINC000418716428 251395481 /nfs/dbraw/zinc/39/54/81/251395481.db2.gz YYJALJAVXGHWOR-JKSUJKDBSA-N 2 1 328.501 1.646 20 0 EDADMP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NCC(F)(F)C[NH3+] ZINC000418526287 251376224 /nfs/dbraw/zinc/37/62/24/251376224.db2.gz RAEUWMQDMOXXPJ-UHFFFAOYSA-N 2 1 342.434 1.786 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC[N@H+]1C ZINC000418641369 251382885 /nfs/dbraw/zinc/38/28/85/251382885.db2.gz SCLVXRLAVBGLQY-QZTJIDSGSA-N 2 1 330.476 1.855 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NCC[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000262592151 139288931 /nfs/dbraw/zinc/28/89/31/139288931.db2.gz RYWJBSCWIGMEAH-FUHWJXTLSA-N 2 1 330.476 1.091 20 0 EDADMP C[NH2+]CCCC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262664793 139294523 /nfs/dbraw/zinc/29/45/23/139294523.db2.gz IVOIQASORGOMRP-UHFFFAOYSA-N 2 1 325.497 1.916 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](C[NH3+])OC ZINC000262751230 139301187 /nfs/dbraw/zinc/30/11/87/139301187.db2.gz BWYQFBHCQDKMNX-ZWKOTPCHSA-N 2 1 333.476 1.721 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000262859788 139308585 /nfs/dbraw/zinc/30/85/85/139308585.db2.gz LBUFIZPYYBBCKZ-AEFFLSMTSA-N 2 1 330.476 1.061 20 0 EDADMP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422900026 252016730 /nfs/dbraw/zinc/01/67/30/252016730.db2.gz IQWJVOGPENFJTR-JKSUJKDBSA-N 2 1 325.478 1.484 20 0 EDADMP C[C@](CO)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000423072025 252034631 /nfs/dbraw/zinc/03/46/31/252034631.db2.gz IQAJTEGNJYABRA-UAFMIMERSA-N 2 1 332.488 1.974 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1)[NH+]1CCOCC1 ZINC000423320754 252046465 /nfs/dbraw/zinc/04/64/65/252046465.db2.gz MPJVQVLOEKEKQX-UAGQMJEPSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423353971 252050672 /nfs/dbraw/zinc/05/06/72/252050672.db2.gz CIRPNJIHFFBKRQ-QLFBSQMISA-N 2 1 336.484 1.113 20 0 EDADMP C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1C[NH2+]C1 ZINC000422908040 252018290 /nfs/dbraw/zinc/01/82/90/252018290.db2.gz CUPKOJPLQCEIOQ-HNNXBMFYSA-N 2 1 330.476 1.210 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422906700 252018386 /nfs/dbraw/zinc/01/83/86/252018386.db2.gz AGEWJFFOYCLQSZ-QZTJIDSGSA-N 3 1 330.476 1.482 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000422909490 252020263 /nfs/dbraw/zinc/02/02/63/252020263.db2.gz GCYFSWPPWKXAMQ-QZTJIDSGSA-N 2 1 333.476 1.910 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000423859237 252094433 /nfs/dbraw/zinc/09/44/33/252094433.db2.gz GWBUVBJNTSTWEP-GDBMZVCRSA-N 2 1 333.432 1.172 20 0 EDADMP CC[C@H]1CN(C(=O)c2ccccc2CC[NH2+]C)C[C@@H]1[NH+]1CCOCC1 ZINC000423865830 252098061 /nfs/dbraw/zinc/09/80/61/252098061.db2.gz DRWOICGLKYRWPW-LPHOPBHVSA-N 2 1 345.487 1.631 20 0 EDADMP [NH3+]C1(CNC(=O)CC[C@@H]2CCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000424025574 252117561 /nfs/dbraw/zinc/11/75/61/252117561.db2.gz ZLQAZAALQSVFKO-SFHVURJKSA-N 2 1 344.503 1.628 20 0 EDADMP [NH3+]CCOc1ccc(NC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000424140881 252139544 /nfs/dbraw/zinc/13/95/44/252139544.db2.gz FXNRWLMCPVVASQ-GFCCVEGCSA-N 2 1 329.404 1.467 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000424214526 252163209 /nfs/dbraw/zinc/16/32/09/252163209.db2.gz CWQJESQMWDLQEA-CVEARBPZSA-N 2 1 325.497 1.853 20 0 EDADMP COC[C@@]1(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]C1 ZINC000424213672 252163888 /nfs/dbraw/zinc/16/38/88/252163888.db2.gz AMFNJTSEMYSZHE-NLWGTHIKSA-N 2 1 343.471 1.345 20 0 EDADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000424368426 252200936 /nfs/dbraw/zinc/20/09/36/252200936.db2.gz PYBQTDAAPRDDJP-LLVKDONJSA-N 2 1 332.420 1.314 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000424434223 252228474 /nfs/dbraw/zinc/22/84/74/252228474.db2.gz DGZFGNISPRUOKG-CYBMUJFWSA-N 2 1 332.448 1.240 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000424435320 252230512 /nfs/dbraw/zinc/23/05/12/252230512.db2.gz FPASVCVXVLFVIT-HNNXBMFYSA-N 2 1 344.415 1.404 20 0 EDADMP O=S(=O)(NCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420339355 285040230 /nfs/dbraw/zinc/04/02/30/285040230.db2.gz YNAPZDCPLPOUSI-JKSUJKDBSA-N 2 1 337.489 1.286 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000263366853 139338257 /nfs/dbraw/zinc/33/82/57/139338257.db2.gz WJHKJYDGVLWZJJ-WMZOPIPTSA-N 2 1 332.492 1.466 20 0 EDADMP C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000493502395 255212754 /nfs/dbraw/zinc/21/27/54/255212754.db2.gz LOLAKDRCDURWQL-QUCCMNQESA-N 2 1 345.487 1.472 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CC[C@@H]([C@@H]3CCOC3)C1)C[NH+]1CCC2CC1 ZINC000496278060 255374079 /nfs/dbraw/zinc/37/40/79/255374079.db2.gz WSJMQTVUCOBDBL-IIDMSEBBSA-N 2 1 335.448 1.219 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC12CCOCC2 ZINC000365783100 285279304 /nfs/dbraw/zinc/27/93/04/285279304.db2.gz CGEDGXNSRBUDFY-IRXDYDNUSA-N 2 1 337.508 1.678 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118116616 221121601 /nfs/dbraw/zinc/12/16/01/221121601.db2.gz GSYBEAVXDFQUPH-HNNXBMFYSA-N 2 1 348.491 1.576 20 0 EDADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000118721855 221173025 /nfs/dbraw/zinc/17/30/25/221173025.db2.gz MFXJLGYCMRZGDQ-LJQANCHMSA-N 2 1 345.487 1.614 20 0 EDADMP C[N@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC1 ZINC000264104644 139380740 /nfs/dbraw/zinc/38/07/40/139380740.db2.gz FZZQOBBDONHEQX-IBGZPJMESA-N 2 1 344.503 1.898 20 0 EDADMP C[NH+]1CCCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000264104644 139380741 /nfs/dbraw/zinc/38/07/41/139380741.db2.gz FZZQOBBDONHEQX-IBGZPJMESA-N 2 1 344.503 1.898 20 0 EDADMP C[NH+]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000264104644 139380742 /nfs/dbraw/zinc/38/07/42/139380742.db2.gz FZZQOBBDONHEQX-IBGZPJMESA-N 2 1 344.503 1.898 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000357254680 285322360 /nfs/dbraw/zinc/32/23/60/285322360.db2.gz YTXPMROMBBIRDK-AOIWGVFYSA-N 2 1 336.524 1.156 20 0 EDADMP CCC[NH+]1CCC([N@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000119608253 221358609 /nfs/dbraw/zinc/35/86/09/221358609.db2.gz GBAKASRYXRRLHJ-UHFFFAOYSA-N 2 1 336.480 1.657 20 0 EDADMP CCC[NH+]1CCC([N@@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000119608253 221358611 /nfs/dbraw/zinc/35/86/11/221358611.db2.gz GBAKASRYXRRLHJ-UHFFFAOYSA-N 2 1 336.480 1.657 20 0 EDADMP COC(=O)CNC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000171501531 533520880 /nfs/dbraw/zinc/52/08/80/533520880.db2.gz VYAZXDUIBWSUGV-UHFFFAOYSA-N 2 1 347.459 1.120 20 0 EDADMP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000416287402 304302549 /nfs/dbraw/zinc/30/25/49/304302549.db2.gz BXWJYBLDBNURFK-DLBZAZTESA-N 2 1 345.487 1.810 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000416287402 304302550 /nfs/dbraw/zinc/30/25/50/304302550.db2.gz BXWJYBLDBNURFK-DLBZAZTESA-N 2 1 345.487 1.810 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000369669317 155132249 /nfs/dbraw/zinc/13/22/49/155132249.db2.gz ZFAGXBSKBKKBIT-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000369669317 155132250 /nfs/dbraw/zinc/13/22/50/155132250.db2.gz ZFAGXBSKBKKBIT-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000369669317 155132251 /nfs/dbraw/zinc/13/22/51/155132251.db2.gz ZFAGXBSKBKKBIT-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1C ZINC000331656641 141063078 /nfs/dbraw/zinc/06/30/78/141063078.db2.gz MHOBKUCJSUSTEP-DOTOQJQBSA-N 2 1 335.448 1.279 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@H]2CCc3nc[nH]c3C2)C[C@H](C)O1 ZINC000332873043 141242186 /nfs/dbraw/zinc/24/21/86/141242186.db2.gz XSLZOILRWNIJHP-MJBXVCDLSA-N 2 1 349.479 1.454 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCc3nc[nH]c3C2)C[C@H](C)O1 ZINC000332873043 141242187 /nfs/dbraw/zinc/24/21/87/141242187.db2.gz XSLZOILRWNIJHP-MJBXVCDLSA-N 2 1 349.479 1.454 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000333442183 141317585 /nfs/dbraw/zinc/31/75/85/141317585.db2.gz WGIFXXYIQRZLOF-VIBAHUMZSA-N 2 1 328.460 1.605 20 0 EDADMP C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333687072 141358105 /nfs/dbraw/zinc/35/81/05/141358105.db2.gz PJMXUKXWENRQBR-AEFFLSMTSA-N 2 1 345.491 1.830 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000333802413 141384323 /nfs/dbraw/zinc/38/43/23/141384323.db2.gz IAEJTMLPKSTJGF-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000339542717 142071702 /nfs/dbraw/zinc/07/17/02/142071702.db2.gz MRTHRPCZZYOMCO-IRXDYDNUSA-N 2 1 338.496 1.080 20 0 EDADMP C[N@@H+]1CC[C@@H]([NH2+]CCCn2cc(CO)nn2)C[C@@H]1c1ccccc1 ZINC000340400092 142377508 /nfs/dbraw/zinc/37/75/08/142377508.db2.gz JCTUTBQKEQFYBU-SJLPKXTDSA-N 2 1 329.448 1.586 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]CCCn2cc(CO)nn2)C[C@@H]1c1ccccc1 ZINC000340400092 142377510 /nfs/dbraw/zinc/37/75/10/142377510.db2.gz JCTUTBQKEQFYBU-SJLPKXTDSA-N 2 1 329.448 1.586 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1C ZINC000346366772 143197177 /nfs/dbraw/zinc/19/71/77/143197177.db2.gz HWVAMTDHJVMBTO-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1C ZINC000346366772 143197178 /nfs/dbraw/zinc/19/71/78/143197178.db2.gz HWVAMTDHJVMBTO-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000346366772 143197179 /nfs/dbraw/zinc/19/71/79/143197179.db2.gz HWVAMTDHJVMBTO-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000346366772 143197180 /nfs/dbraw/zinc/19/71/80/143197180.db2.gz HWVAMTDHJVMBTO-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](O)C[N@H+](C)C1CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000346637959 143224735 /nfs/dbraw/zinc/22/47/35/143224735.db2.gz XPHTUKXUQKURTB-HNNXBMFYSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000346637959 143224736 /nfs/dbraw/zinc/22/47/36/143224736.db2.gz XPHTUKXUQKURTB-HNNXBMFYSA-N 2 1 330.476 1.893 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C[C@@H]12 ZINC000346839089 143250662 /nfs/dbraw/zinc/25/06/62/143250662.db2.gz YFFUYJJLTIVKIY-BPLDGKMQSA-N 2 1 326.400 1.975 20 0 EDADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)s2)o1 ZINC000347024903 143273089 /nfs/dbraw/zinc/27/30/89/143273089.db2.gz ROAWRCMIANLGPV-CYBMUJFWSA-N 2 1 348.472 1.998 20 0 EDADMP COCCOc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)OCO2 ZINC000347037911 143274994 /nfs/dbraw/zinc/27/49/94/143274994.db2.gz GDARNVAUKPZWQO-ZIAGYGMSSA-N 2 1 336.432 2.000 20 0 EDADMP COCCOc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)OCO2 ZINC000347037911 143274995 /nfs/dbraw/zinc/27/49/95/143274995.db2.gz GDARNVAUKPZWQO-ZIAGYGMSSA-N 2 1 336.432 2.000 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000347082455 143280457 /nfs/dbraw/zinc/28/04/57/143280457.db2.gz YYUJNKQKAJWACF-ZDUSSCGKSA-N 2 1 327.375 1.575 20 0 EDADMP COc1cc(C)c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(C)n1 ZINC000347161818 143289528 /nfs/dbraw/zinc/28/95/28/143289528.db2.gz HNTAWFNJPYMSOK-INIZCTEOSA-N 2 1 346.475 1.351 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[N@H+]([C@H](C)CO)CC1 ZINC000347281562 143303569 /nfs/dbraw/zinc/30/35/69/143303569.db2.gz ZJJHIDHOYLYUFB-OAHLLOKOSA-N 2 1 329.448 1.464 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000347551606 143334118 /nfs/dbraw/zinc/33/41/18/143334118.db2.gz RAJXWKPRYWUARI-HLAWJBBLSA-N 2 1 345.531 1.938 20 0 EDADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000347756893 143358784 /nfs/dbraw/zinc/35/87/84/143358784.db2.gz GHSAPOABQDOABS-CVEARBPZSA-N 2 1 340.512 1.166 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)[C@@H](C)C1 ZINC000417669688 286060557 /nfs/dbraw/zinc/06/05/57/286060557.db2.gz MSMKHTMKVIPFHF-QZWWFDLISA-N 2 1 340.512 1.502 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH2+]C)[C@@H](C)C1 ZINC000417667204 286060670 /nfs/dbraw/zinc/06/06/70/286060670.db2.gz GFFMQRCUMKLVAQ-BBWFWOEESA-N 2 1 340.512 1.517 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)oc1C ZINC000369880663 155216153 /nfs/dbraw/zinc/21/61/53/155216153.db2.gz OHPRHVHFDSBTOQ-UHFFFAOYSA-N 2 1 348.491 1.961 20 0 EDADMP C[N@H+](CCCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)Cc1ccccc1 ZINC000416867616 304353258 /nfs/dbraw/zinc/35/32/58/304353258.db2.gz CROCGMVFWNLYQP-GOSISDBHSA-N 2 1 336.455 1.852 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)Cc1ccccc1 ZINC000416867616 304353261 /nfs/dbraw/zinc/35/32/61/304353261.db2.gz CROCGMVFWNLYQP-GOSISDBHSA-N 2 1 336.455 1.852 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNCc2ncc(CN(C)C)s2)CCCO1 ZINC000352705692 149122938 /nfs/dbraw/zinc/12/29/38/149122938.db2.gz MSPBFBIISGWEMJ-CQSZACIVSA-N 2 1 326.510 1.795 20 0 EDADMP C[C@@H]1C[N@H+](CCCNCc2ncc(C[NH+](C)C)s2)CCCO1 ZINC000352705692 149122939 /nfs/dbraw/zinc/12/29/39/149122939.db2.gz MSPBFBIISGWEMJ-CQSZACIVSA-N 2 1 326.510 1.795 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNCc2ncc(C[NH+](C)C)s2)CCCO1 ZINC000352705692 149122942 /nfs/dbraw/zinc/12/29/42/149122942.db2.gz MSPBFBIISGWEMJ-CQSZACIVSA-N 2 1 326.510 1.795 20 0 EDADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000353094201 149283898 /nfs/dbraw/zinc/28/38/98/149283898.db2.gz UWVPSIBNIYABBU-BUICWCOVSA-N 2 1 334.508 1.285 20 0 EDADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C[N@H+]1C1CC1 ZINC000353094201 149283901 /nfs/dbraw/zinc/28/39/01/149283901.db2.gz UWVPSIBNIYABBU-BUICWCOVSA-N 2 1 334.508 1.285 20 0 EDADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[NH+]1C1CC1 ZINC000353094201 149283904 /nfs/dbraw/zinc/28/39/04/149283904.db2.gz UWVPSIBNIYABBU-BUICWCOVSA-N 2 1 334.508 1.285 20 0 EDADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[NH+]1C1CC1 ZINC000353094201 149283905 /nfs/dbraw/zinc/28/39/05/149283905.db2.gz UWVPSIBNIYABBU-BUICWCOVSA-N 2 1 334.508 1.285 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H](O)CN2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC000353332277 149368369 /nfs/dbraw/zinc/36/83/69/149368369.db2.gz POPRYMHWAOPMHY-KSZLIROESA-N 2 1 341.540 1.510 20 0 EDADMP CCN1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000369928329 155239338 /nfs/dbraw/zinc/23/93/38/155239338.db2.gz QDDAJTBPPMQEIL-IJEWVQPXSA-N 2 1 337.489 1.578 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](C)[C@H]2c2cccs2)C1 ZINC000369928329 155239343 /nfs/dbraw/zinc/23/93/43/155239343.db2.gz QDDAJTBPPMQEIL-IJEWVQPXSA-N 2 1 337.489 1.578 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000369928329 155239345 /nfs/dbraw/zinc/23/93/45/155239345.db2.gz QDDAJTBPPMQEIL-IJEWVQPXSA-N 2 1 337.489 1.578 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000369928329 155239347 /nfs/dbraw/zinc/23/93/47/155239347.db2.gz QDDAJTBPPMQEIL-IJEWVQPXSA-N 2 1 337.489 1.578 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000369954463 155250073 /nfs/dbraw/zinc/25/00/73/155250073.db2.gz IDKYNSGBUULOPR-IPMKNSEASA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000369954463 155250075 /nfs/dbraw/zinc/25/00/75/155250075.db2.gz IDKYNSGBUULOPR-IPMKNSEASA-N 2 1 342.487 1.854 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000355196910 150161985 /nfs/dbraw/zinc/16/19/85/150161985.db2.gz ZVZJZBLJRJEIGY-GOSISDBHSA-N 2 1 330.476 1.539 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000355196910 150161987 /nfs/dbraw/zinc/16/19/87/150161987.db2.gz ZVZJZBLJRJEIGY-GOSISDBHSA-N 2 1 330.476 1.539 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)nc3)[C@H]2C1 ZINC000355366397 150236552 /nfs/dbraw/zinc/23/65/52/150236552.db2.gz NBDITPROHKNTHM-DLBZAZTESA-N 2 1 332.448 1.078 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000355499268 150293739 /nfs/dbraw/zinc/29/37/39/150293739.db2.gz FOBZVGUEWKIAKV-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c2n1CCCC2 ZINC000370000572 155275070 /nfs/dbraw/zinc/27/50/70/155275070.db2.gz YDIURMUVDISKPJ-ZDUSSCGKSA-N 2 1 331.464 1.977 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c2n1CCCC2 ZINC000370000572 155275074 /nfs/dbraw/zinc/27/50/74/155275074.db2.gz YDIURMUVDISKPJ-ZDUSSCGKSA-N 2 1 331.464 1.977 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000356106336 150512970 /nfs/dbraw/zinc/51/29/70/150512970.db2.gz CVBKBSJMRWURED-MRXNPFEDSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417049544 304366880 /nfs/dbraw/zinc/36/68/80/304366880.db2.gz UKSCXSDDVHRKON-HZPDHXFCSA-N 2 1 326.485 1.319 20 0 EDADMP C[C@H](CNC(=O)NCC1([NH3+])CCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417046410 304366306 /nfs/dbraw/zinc/36/63/06/304366306.db2.gz SWYXMNAUXDEUCE-MRXNPFEDSA-N 2 1 345.491 1.378 20 0 EDADMP CC[N@H+](CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C)C(C)C ZINC000357730153 151129098 /nfs/dbraw/zinc/12/90/98/151129098.db2.gz NKSVWUUQRXOHNY-HOTGVXAUSA-N 2 1 326.485 1.221 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C)C(C)C ZINC000357730153 151129099 /nfs/dbraw/zinc/12/90/99/151129099.db2.gz NKSVWUUQRXOHNY-HOTGVXAUSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C)C(C)(C)C[NH+](C)C ZINC000357858818 151174717 /nfs/dbraw/zinc/17/47/17/151174717.db2.gz FTNJRQOMMFKFRI-OAGGEKHMSA-N 2 1 340.512 1.467 20 0 EDADMP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000357926916 151199035 /nfs/dbraw/zinc/19/90/35/151199035.db2.gz KPIMINGKLWANIO-CMKODMSKSA-N 2 1 343.471 1.224 20 0 EDADMP CSC1(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000357972685 151217044 /nfs/dbraw/zinc/21/70/44/151217044.db2.gz JZZGOFPQZVBUIL-KBPBESRZSA-N 2 1 328.526 1.596 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000358286867 151326359 /nfs/dbraw/zinc/32/63/59/151326359.db2.gz BQSQSHDBTVTHPT-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417114309 304373703 /nfs/dbraw/zinc/37/37/03/304373703.db2.gz NWYLWYICHOMNCG-UHFFFAOYSA-N 2 1 336.452 1.241 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000417115840 304373850 /nfs/dbraw/zinc/37/38/50/304373850.db2.gz PCEUGXNFAWLMHY-CQSZACIVSA-N 2 1 326.391 1.544 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000417115840 304373852 /nfs/dbraw/zinc/37/38/52/304373852.db2.gz PCEUGXNFAWLMHY-CQSZACIVSA-N 2 1 326.391 1.544 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000417123824 304375187 /nfs/dbraw/zinc/37/51/87/304375187.db2.gz YZWHJVXECDFGRH-UMVBOHGHSA-N 2 1 336.505 1.921 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000417123824 304375189 /nfs/dbraw/zinc/37/51/89/304375189.db2.gz YZWHJVXECDFGRH-UMVBOHGHSA-N 2 1 336.505 1.921 20 0 EDADMP CSC1(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC[NH+](C)CC1 ZINC000360692695 152155122 /nfs/dbraw/zinc/15/51/22/152155122.db2.gz JKVPPHJFOAOKPY-LSDHHAIUSA-N 2 1 340.537 1.692 20 0 EDADMP C[NH+]1CCC(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000360890439 152242954 /nfs/dbraw/zinc/24/29/54/152242954.db2.gz YNNBUJXYPNTCSC-SJORKVTESA-N 2 1 338.496 1.271 20 0 EDADMP COc1ccccc1/C=C/CN1CCC(N2CCN(C)CC2=O)CC1 ZINC000364108561 153147165 /nfs/dbraw/zinc/14/71/65/153147165.db2.gz QFCIHBQNHXBXTP-FNORWQNLSA-N 2 1 343.471 1.947 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCNC1=O ZINC000364338333 153209996 /nfs/dbraw/zinc/20/99/96/153209996.db2.gz AOYBXGNERUZCRV-GDBMZVCRSA-N 2 1 330.432 1.038 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCNC1=O ZINC000364338333 153209999 /nfs/dbraw/zinc/20/99/99/153209999.db2.gz AOYBXGNERUZCRV-GDBMZVCRSA-N 2 1 330.432 1.038 20 0 EDADMP C[C@H](CN1CCOCC1)N(C)C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000364359851 153216220 /nfs/dbraw/zinc/21/62/20/153216220.db2.gz UVCDBRSNQUBTDR-AEFFLSMTSA-N 2 1 331.460 1.440 20 0 EDADMP C[C@H](CN1CCOCC1)N(C)C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000364359851 153216222 /nfs/dbraw/zinc/21/62/22/153216222.db2.gz UVCDBRSNQUBTDR-AEFFLSMTSA-N 2 1 331.460 1.440 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000417223742 304385574 /nfs/dbraw/zinc/38/55/74/304385574.db2.gz SSIHDICECFGRKD-HIFRSBDPSA-N 2 1 336.505 1.923 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000417223742 304385575 /nfs/dbraw/zinc/38/55/75/304385575.db2.gz SSIHDICECFGRKD-HIFRSBDPSA-N 2 1 336.505 1.923 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417225773 304385602 /nfs/dbraw/zinc/38/56/02/304385602.db2.gz YHNOKZRPPJOWDB-OAHLLOKOSA-N 2 1 334.489 1.642 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417225773 304385603 /nfs/dbraw/zinc/38/56/03/304385603.db2.gz YHNOKZRPPJOWDB-OAHLLOKOSA-N 2 1 334.489 1.642 20 0 EDADMP C[NH+](C)CCOc1cc(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)ccn1 ZINC000367095383 154008023 /nfs/dbraw/zinc/00/80/23/154008023.db2.gz AGEITTBZVGCMGY-IRXDYDNUSA-N 2 1 346.475 1.513 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@H]([NH3+])C3CCOCC3)C[C@H]2[C@H]1c1ccccc1 ZINC000367188181 154034685 /nfs/dbraw/zinc/03/46/85/154034685.db2.gz UHENNZOWOZJBLG-NCXUSEDFSA-N 2 1 343.471 1.502 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000367200665 154039742 /nfs/dbraw/zinc/03/97/42/154039742.db2.gz PLQCNPYQDNCABX-UYAOXDASSA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000367200665 154039744 /nfs/dbraw/zinc/03/97/44/154039744.db2.gz PLQCNPYQDNCABX-UYAOXDASSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000367200665 154039745 /nfs/dbraw/zinc/03/97/45/154039745.db2.gz PLQCNPYQDNCABX-UYAOXDASSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000367200665 154039747 /nfs/dbraw/zinc/03/97/47/154039747.db2.gz PLQCNPYQDNCABX-UYAOXDASSA-N 2 1 345.487 1.736 20 0 EDADMP COC[C@H](O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000367230286 154048666 /nfs/dbraw/zinc/04/86/66/154048666.db2.gz YNHSUIHDVZBQPC-GOSISDBHSA-N 2 1 327.513 1.122 20 0 EDADMP COC[C@H](O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367230286 154048667 /nfs/dbraw/zinc/04/86/67/154048667.db2.gz YNHSUIHDVZBQPC-GOSISDBHSA-N 3 1 327.513 1.122 20 0 EDADMP COC[C@H](O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367230286 154048670 /nfs/dbraw/zinc/04/86/70/154048670.db2.gz YNHSUIHDVZBQPC-GOSISDBHSA-N 3 1 327.513 1.122 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)CC1 ZINC000367583714 154187991 /nfs/dbraw/zinc/18/79/91/154187991.db2.gz FMPICBWWENSZCF-ROUUACIJSA-N 2 1 325.497 1.282 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)CC1 ZINC000367583714 154187993 /nfs/dbraw/zinc/18/79/93/154187993.db2.gz FMPICBWWENSZCF-ROUUACIJSA-N 2 1 325.497 1.282 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CCNC2=O)cc1F ZINC000367637444 154208263 /nfs/dbraw/zinc/20/82/63/154208263.db2.gz XSZDNAOQKOOMFD-LLVKDONJSA-N 2 1 345.378 1.522 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+](C)C ZINC000369501803 155061374 /nfs/dbraw/zinc/06/13/74/155061374.db2.gz URKDFTZUHIOYSJ-ROUUACIJSA-N 2 1 348.491 1.218 20 0 EDADMP Brc1c[nH+]ccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000372348944 156347121 /nfs/dbraw/zinc/34/71/21/156347121.db2.gz RGOZEFHRDKBFHW-LBPRGKRZSA-N 2 1 326.238 1.931 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C2CCN(Cc3cccnc3)CC2)CC1(C)C ZINC000374241089 157210337 /nfs/dbraw/zinc/21/03/37/157210337.db2.gz JMDVSNIHJADACO-UHFFFAOYSA-N 2 1 345.535 1.662 20 0 EDADMP CCCn1nccc1C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000374290340 157227618 /nfs/dbraw/zinc/22/76/18/157227618.db2.gz BCUGFFGUVCPRKL-UHFFFAOYSA-N 2 1 333.480 1.247 20 0 EDADMP COCC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000374460748 157298275 /nfs/dbraw/zinc/29/82/75/157298275.db2.gz JEKSXAUUMCVOPF-SJLPKXTDSA-N 2 1 333.476 1.591 20 0 EDADMP COc1ccc([C@@H]2[C@H](CNC(=O)[C@H]3CC[NH2+]C3)CCC[N@H+]2C)cc1 ZINC000374462608 157299148 /nfs/dbraw/zinc/29/91/48/157299148.db2.gz ZGJMTWZBGVFZBT-XYJFISCASA-N 2 1 331.460 1.804 20 0 EDADMP CN1CCN(C2CC[NH+](Cc3cn4ccccc4n3)CC2)C(=O)C1 ZINC000374730304 157380611 /nfs/dbraw/zinc/38/06/11/157380611.db2.gz HZJTUEVTIZULAR-UHFFFAOYSA-N 2 1 327.432 1.073 20 0 EDADMP Cc1cnn([C@@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)c1 ZINC000377723864 157978480 /nfs/dbraw/zinc/97/84/80/157978480.db2.gz NJOFNBJHFHVSKM-QGZVFWFLSA-N 2 1 333.480 1.427 20 0 EDADMP Cc1cnn([C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)c1 ZINC000377723864 157978481 /nfs/dbraw/zinc/97/84/81/157978481.db2.gz NJOFNBJHFHVSKM-QGZVFWFLSA-N 2 1 333.480 1.427 20 0 EDADMP CC[NH+](CC)CCSCC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000378297714 158132048 /nfs/dbraw/zinc/13/20/48/158132048.db2.gz FVUSFPPOEWRJRH-JKSUJKDBSA-N 2 1 343.537 1.431 20 0 EDADMP CC[NH+](CC)CCSCC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000378297714 158132050 /nfs/dbraw/zinc/13/20/50/158132050.db2.gz FVUSFPPOEWRJRH-JKSUJKDBSA-N 2 1 343.537 1.431 20 0 EDADMP CC[C@H](C)[C@@H](O)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378305335 158134559 /nfs/dbraw/zinc/13/45/59/158134559.db2.gz BNHGRKGYOFYSAY-MAUKXSAKSA-N 2 1 339.524 1.706 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000352496650 162212851 /nfs/dbraw/zinc/21/28/51/162212851.db2.gz XYYFFZFSSYOKPH-HKUYNNGSSA-N 2 1 344.503 1.832 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000352496650 162212852 /nfs/dbraw/zinc/21/28/52/162212852.db2.gz XYYFFZFSSYOKPH-HKUYNNGSSA-N 2 1 344.503 1.832 20 0 EDADMP CCCn1nc2c(cc1=O)C[N@@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000361770244 162303508 /nfs/dbraw/zinc/30/35/08/162303508.db2.gz WBWNESAQUZFAMF-UHFFFAOYSA-N 2 1 329.448 1.997 20 0 EDADMP CCCn1nc2c(cc1=O)C[N@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000361770244 162303510 /nfs/dbraw/zinc/30/35/10/162303510.db2.gz WBWNESAQUZFAMF-UHFFFAOYSA-N 2 1 329.448 1.997 20 0 EDADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000073426080 287259983 /nfs/dbraw/zinc/25/99/83/287259983.db2.gz ZXDBPIUQAOECIL-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000073426080 287259985 /nfs/dbraw/zinc/25/99/85/287259985.db2.gz ZXDBPIUQAOECIL-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000074109425 287267641 /nfs/dbraw/zinc/26/76/41/287267641.db2.gz MXWYDPCSKFPLAE-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000122057808 222005679 /nfs/dbraw/zinc/00/56/79/222005679.db2.gz BHQWBTKBUHKEQB-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP C[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000122345436 222067185 /nfs/dbraw/zinc/06/71/85/222067185.db2.gz QCKBGYMSPOBQRC-BEFAXECRSA-N 2 1 348.491 1.045 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC[N@H+]1CCOC ZINC000659622267 452480653 /nfs/dbraw/zinc/48/06/53/452480653.db2.gz PVVPFBNKHIXQJJ-HZPDHXFCSA-N 2 1 328.501 1.502 20 0 EDADMP CC[C@]1(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]1 ZINC000274618480 268169418 /nfs/dbraw/zinc/16/94/18/268169418.db2.gz OYYXWIIDQKXALC-YLJYHZDGSA-N 2 1 344.503 1.846 20 0 EDADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000275193372 268295319 /nfs/dbraw/zinc/29/53/19/268295319.db2.gz DONFBLSPNKBZCJ-RTBURBONSA-N 2 1 345.487 1.739 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000275193372 268295321 /nfs/dbraw/zinc/29/53/21/268295321.db2.gz DONFBLSPNKBZCJ-RTBURBONSA-N 2 1 345.487 1.739 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000275193372 268295323 /nfs/dbraw/zinc/29/53/23/268295323.db2.gz DONFBLSPNKBZCJ-RTBURBONSA-N 2 1 345.487 1.739 20 0 EDADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1OCC(=O)OC ZINC000273227533 273034123 /nfs/dbraw/zinc/03/41/23/273034123.db2.gz WKEQBWOGINURSV-HNNXBMFYSA-N 2 1 338.448 1.857 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1OCC(=O)OC ZINC000273227533 273034124 /nfs/dbraw/zinc/03/41/24/273034124.db2.gz WKEQBWOGINURSV-HNNXBMFYSA-N 2 1 338.448 1.857 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000275845568 273131269 /nfs/dbraw/zinc/13/12/69/273131269.db2.gz HKZDDKRENAMEDM-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000275845568 273131271 /nfs/dbraw/zinc/13/12/71/273131271.db2.gz HKZDDKRENAMEDM-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000157918134 287688939 /nfs/dbraw/zinc/68/89/39/287688939.db2.gz MLSNKZHCIQTFHT-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284225588 274123572 /nfs/dbraw/zinc/12/35/72/274123572.db2.gz USPVNXZKHXHMQE-ICSRJNTNSA-N 2 1 347.503 1.276 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000284667514 274285993 /nfs/dbraw/zinc/28/59/93/274285993.db2.gz XBOWBUVOEWWUGF-BPQIPLTHSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)N(C)Cc1ccccc1 ZINC000284667514 274285995 /nfs/dbraw/zinc/28/59/95/274285995.db2.gz XBOWBUVOEWWUGF-BPQIPLTHSA-N 2 1 331.460 1.438 20 0 EDADMP COC[C@@H]1C[C@H](OC)C[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000284740067 274313419 /nfs/dbraw/zinc/31/34/19/274313419.db2.gz UQFLNUNQZMYART-OKZBNKHCSA-N 2 1 349.475 1.141 20 0 EDADMP COC[C@@H]1C[C@H](OC)C[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000284740067 274313420 /nfs/dbraw/zinc/31/34/20/274313420.db2.gz UQFLNUNQZMYART-OKZBNKHCSA-N 2 1 349.475 1.141 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351443686 276040591 /nfs/dbraw/zinc/04/05/91/276040591.db2.gz NGZCXYCSYNRNSA-ZMSDIMECSA-N 2 1 325.497 1.458 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351443686 276040592 /nfs/dbraw/zinc/04/05/92/276040592.db2.gz NGZCXYCSYNRNSA-ZMSDIMECSA-N 2 1 325.497 1.458 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351443686 276040593 /nfs/dbraw/zinc/04/05/93/276040593.db2.gz NGZCXYCSYNRNSA-ZMSDIMECSA-N 2 1 325.497 1.458 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351443686 276040594 /nfs/dbraw/zinc/04/05/94/276040594.db2.gz NGZCXYCSYNRNSA-ZMSDIMECSA-N 2 1 325.497 1.458 20 0 EDADMP CCOC(=O)C[C@@](C)([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000338292364 276280307 /nfs/dbraw/zinc/28/03/07/276280307.db2.gz ARSCBKPWXWWVGQ-QGZVFWFLSA-N 2 1 327.469 1.108 20 0 EDADMP CC[C@H](C)NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171307008 276557127 /nfs/dbraw/zinc/55/71/27/276557127.db2.gz DFTVMPLDRWUXLY-ARFHVFGLSA-N 2 1 325.497 1.722 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000378207869 277106133 /nfs/dbraw/zinc/10/61/33/277106133.db2.gz SOHUQZJGYXBACF-QYZOEREBSA-N 2 1 344.503 1.609 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000342764639 277319899 /nfs/dbraw/zinc/31/98/99/277319899.db2.gz JDOZWTYQXWDFQX-BMFZPTHFSA-N 2 1 333.432 1.219 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)C1=CC[NH+](C)CC1 ZINC000371587996 278242241 /nfs/dbraw/zinc/24/22/41/278242241.db2.gz ITMJWUKYFQPJPY-OWLYRPNTSA-N 2 1 332.492 1.763 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)C1=CC[N@H+](C)CC1 ZINC000371587996 278242243 /nfs/dbraw/zinc/24/22/43/278242243.db2.gz ITMJWUKYFQPJPY-OWLYRPNTSA-N 2 1 332.492 1.763 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)C1=CC[N@@H+](C)CC1 ZINC000371587996 278242244 /nfs/dbraw/zinc/24/22/44/278242244.db2.gz ITMJWUKYFQPJPY-OWLYRPNTSA-N 2 1 332.492 1.763 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000424045069 278350879 /nfs/dbraw/zinc/35/08/79/278350879.db2.gz STYMWPMLZFXEFO-ZWKOTPCHSA-N 2 1 349.519 1.866 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000496204125 279034162 /nfs/dbraw/zinc/03/41/62/279034162.db2.gz DOKOFCVETBGDKJ-GJZGRUSLSA-N 2 1 343.512 1.924 20 0 EDADMP CC(C)N(C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CCCC1 ZINC000420335014 279284621 /nfs/dbraw/zinc/28/46/21/279284621.db2.gz UREXZSXNTQNPER-MRXNPFEDSA-N 2 1 337.508 1.853 20 0 EDADMP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339076620 279314579 /nfs/dbraw/zinc/31/45/79/279314579.db2.gz VMUAIVLHSXYGEG-QRVBRYPASA-N 2 1 343.519 1.809 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H]1c1ccccc1 ZINC000347440980 279386332 /nfs/dbraw/zinc/38/63/32/279386332.db2.gz AWWHJEQQTOIDIB-PKOBYXMFSA-N 2 1 333.476 1.905 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H]1c1ccccc1 ZINC000347440980 279386333 /nfs/dbraw/zinc/38/63/33/279386333.db2.gz AWWHJEQQTOIDIB-PKOBYXMFSA-N 2 1 333.476 1.905 20 0 EDADMP CC[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H]1c1ccccc1 ZINC000347440980 279386334 /nfs/dbraw/zinc/38/63/34/279386334.db2.gz AWWHJEQQTOIDIB-PKOBYXMFSA-N 2 1 333.476 1.905 20 0 EDADMP CC[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H]1c1ccccc1 ZINC000347440980 279386335 /nfs/dbraw/zinc/38/63/35/279386335.db2.gz AWWHJEQQTOIDIB-PKOBYXMFSA-N 2 1 333.476 1.905 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)N2CC[NH+](C[C@H](C)O)CC2)[NH+](C)C)cc1 ZINC000287172434 288172304 /nfs/dbraw/zinc/17/23/04/288172304.db2.gz JPWIFOPIPVJBPG-FUHWJXTLSA-N 2 1 348.491 1.306 20 0 EDADMP Cc1c(C[NH2+]C[C@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)cnn1C ZINC000354930226 280226969 /nfs/dbraw/zinc/22/69/69/280226969.db2.gz XDMZKFCLEMZDSW-HUUCEWRRSA-N 2 1 347.442 1.291 20 0 EDADMP Cc1nn(C)c2sc([C@H](C)[NH2+]CCC(=O)N3CC[NH+](C)CC3)cc12 ZINC000287794025 288325143 /nfs/dbraw/zinc/32/51/43/288325143.db2.gz SXQUMJQTJZYGLZ-ZDUSSCGKSA-N 2 1 349.504 1.758 20 0 EDADMP Cc1cnccc1OC1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000289333196 288675407 /nfs/dbraw/zinc/67/54/07/288675407.db2.gz DXLIWSRBZNHGOA-UHFFFAOYSA-N 2 1 346.475 1.397 20 0 EDADMP COc1cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)ccc1C ZINC000289684541 288759668 /nfs/dbraw/zinc/75/96/68/288759668.db2.gz FFWIQMOQPHCPGG-UHFFFAOYSA-N 2 1 345.487 1.990 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000344161602 288944774 /nfs/dbraw/zinc/94/47/74/288944774.db2.gz GTJHRQPFNVXJEG-CGTJXYLNSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000291670335 289144609 /nfs/dbraw/zinc/14/46/09/289144609.db2.gz BEDBIWYCXPFFNM-ZHALLVOQSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000291872424 289202610 /nfs/dbraw/zinc/20/26/10/289202610.db2.gz ILCKNMQMCKUTJI-SJLPKXTDSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000291872424 289202612 /nfs/dbraw/zinc/20/26/12/289202612.db2.gz ILCKNMQMCKUTJI-SJLPKXTDSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000291872424 289202614 /nfs/dbraw/zinc/20/26/14/289202614.db2.gz ILCKNMQMCKUTJI-SJLPKXTDSA-N 2 1 348.491 1.215 20 0 EDADMP C[NH+](C)C[C@H]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000129692522 289212594 /nfs/dbraw/zinc/21/25/94/289212594.db2.gz ONBIPJPFKNZLTH-CQSZACIVSA-N 2 1 336.505 1.699 20 0 EDADMP C[NH+](C)C[C@H]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000129692522 289212596 /nfs/dbraw/zinc/21/25/96/289212596.db2.gz ONBIPJPFKNZLTH-CQSZACIVSA-N 2 1 336.505 1.699 20 0 EDADMP C[NH+]1CCC(CC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000292081663 289256962 /nfs/dbraw/zinc/25/69/62/289256962.db2.gz HVEVEFMPLPJOFQ-LJQANCHMSA-N 2 1 345.487 1.254 20 0 EDADMP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521196 289333432 /nfs/dbraw/zinc/33/34/32/289333432.db2.gz XIRBWPLLINZPPK-CQSZACIVSA-N 2 1 336.480 1.609 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000422774772 295307775 /nfs/dbraw/zinc/30/77/75/295307775.db2.gz YJZJFDRWSALETG-SJORKVTESA-N 2 1 337.489 1.831 20 0 EDADMP C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@@H]1[NH3+] ZINC000333927608 300142036 /nfs/dbraw/zinc/14/20/36/300142036.db2.gz WOJPNUAOMWUAHX-HOTGVXAUSA-N 2 1 338.496 1.400 20 0 EDADMP COC(=O)c1ccccc1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420326427 304752013 /nfs/dbraw/zinc/75/20/13/304752013.db2.gz CGPYEYILUASJCG-UHFFFAOYSA-N 2 1 331.416 1.487 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420363589 304752050 /nfs/dbraw/zinc/75/20/50/304752050.db2.gz OCBNIKVUCBQUTP-AWEZNQCLSA-N 2 1 334.420 1.321 20 0 EDADMP CN(C(=O)c1sc2c(c1Br)C[NH2+]C2)[C@H](C[NH3+])C1CC1 ZINC000662571471 453297735 /nfs/dbraw/zinc/29/77/35/453297735.db2.gz PIVPMYSPDMKCOZ-SECBINFHSA-N 2 1 344.278 1.923 20 0 EDADMP CCOC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)[nH]c1C ZINC000295168643 303183174 /nfs/dbraw/zinc/18/31/74/303183174.db2.gz LDANRHOUPTWOHL-INIZCTEOSA-N 2 1 337.464 1.826 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000295210601 303189253 /nfs/dbraw/zinc/18/92/53/303189253.db2.gz ALXPVBGTMNMOFP-GOSISDBHSA-N 2 1 346.519 1.699 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000296313825 303309567 /nfs/dbraw/zinc/30/95/67/303309567.db2.gz GSULRLARZGZMCF-JKSUJKDBSA-N 2 1 330.476 1.454 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662743763 453470249 /nfs/dbraw/zinc/47/02/49/453470249.db2.gz LVDNLVBYXOMPRR-CQSZACIVSA-N 2 1 337.386 1.098 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC)c1 ZINC000414877107 447338633 /nfs/dbraw/zinc/33/86/33/447338633.db2.gz LJYCXCZMZIVWEC-QGZVFWFLSA-N 2 1 346.475 1.725 20 0 EDADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422707120 304878904 /nfs/dbraw/zinc/87/89/04/304878904.db2.gz VSIKNQNMBBXHEF-ZFWWWQNUSA-N 2 1 325.478 1.730 20 0 EDADMP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423113645 304886992 /nfs/dbraw/zinc/88/69/92/304886992.db2.gz USDGNOJVSJPGCL-NSHDSACASA-N 2 1 331.869 1.124 20 0 EDADMP CCC[N@@H+](C)CC(=O)N(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428699908 305015001 /nfs/dbraw/zinc/01/50/01/305015001.db2.gz JNADCMJHQASGIY-LJQANCHMSA-N 2 1 333.476 1.424 20 0 EDADMP CCC[NH+](C)CC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428699908 305015002 /nfs/dbraw/zinc/01/50/02/305015002.db2.gz JNADCMJHQASGIY-LJQANCHMSA-N 2 1 333.476 1.424 20 0 EDADMP CCC[NH+](C)CC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428699908 305015003 /nfs/dbraw/zinc/01/50/03/305015003.db2.gz JNADCMJHQASGIY-LJQANCHMSA-N 2 1 333.476 1.424 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000430584900 305057296 /nfs/dbraw/zinc/05/72/96/305057296.db2.gz QEAKEQBVQBTLHC-GJZGRUSLSA-N 2 1 337.439 1.770 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000430584900 305057297 /nfs/dbraw/zinc/05/72/97/305057297.db2.gz QEAKEQBVQBTLHC-GJZGRUSLSA-N 2 1 337.439 1.770 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)CC2 ZINC000430623748 305059707 /nfs/dbraw/zinc/05/97/07/305059707.db2.gz HVWZASGCNPXCFD-AWEZNQCLSA-N 2 1 347.459 1.259 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)CC2 ZINC000430623748 305059708 /nfs/dbraw/zinc/05/97/08/305059708.db2.gz HVWZASGCNPXCFD-AWEZNQCLSA-N 2 1 347.459 1.259 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCC([NH3+])CC2)CC1 ZINC000430624416 305059794 /nfs/dbraw/zinc/05/97/94/305059794.db2.gz IJFQLYDCGLYEPY-UHFFFAOYSA-N 2 1 330.476 1.062 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000430690433 305062499 /nfs/dbraw/zinc/06/24/99/305062499.db2.gz GLLRVSPZWNOFHE-MRXNPFEDSA-N 2 1 344.459 1.594 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000430690433 305062500 /nfs/dbraw/zinc/06/25/00/305062500.db2.gz GLLRVSPZWNOFHE-MRXNPFEDSA-N 2 1 344.459 1.594 20 0 EDADMP O=C(COC1C[NH2+]C1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000430702071 305062741 /nfs/dbraw/zinc/06/27/41/305062741.db2.gz XMFSXAZYKLLUMJ-UHFFFAOYSA-N 2 1 339.386 1.034 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000433051364 305099183 /nfs/dbraw/zinc/09/91/83/305099183.db2.gz GPAXNWMHVDDVEU-IBGZPJMESA-N 2 1 347.503 1.511 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000433051364 305099184 /nfs/dbraw/zinc/09/91/84/305099184.db2.gz GPAXNWMHVDDVEU-IBGZPJMESA-N 2 1 347.503 1.511 20 0 EDADMP C[N@@H+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)c2ccccc2C1 ZINC000433117059 305100932 /nfs/dbraw/zinc/10/09/32/305100932.db2.gz NMVUSYRBHIGLGB-UHFFFAOYSA-N 3 1 330.476 1.668 20 0 EDADMP C[N@H+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)c2ccccc2C1 ZINC000433117059 305100933 /nfs/dbraw/zinc/10/09/33/305100933.db2.gz NMVUSYRBHIGLGB-UHFFFAOYSA-N 3 1 330.476 1.668 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433279023 305104507 /nfs/dbraw/zinc/10/45/07/305104507.db2.gz NQYXNIINDNUJAP-MRXNPFEDSA-N 2 1 340.512 1.659 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@@H]1C ZINC000433399434 305107866 /nfs/dbraw/zinc/10/78/66/305107866.db2.gz JDZIRQSRYBNYHG-KKUMJFAQSA-N 2 1 334.468 1.147 20 0 EDADMP CCn1nccc1C1CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000434796339 305130481 /nfs/dbraw/zinc/13/04/81/305130481.db2.gz UBMNJNZTXJGEPH-UHFFFAOYSA-N 2 1 347.507 1.683 20 0 EDADMP CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435619622 305143475 /nfs/dbraw/zinc/14/34/75/305143475.db2.gz ZGGMCYUTWKEBNR-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCCOc1ccc(F)cc1 ZINC000436049561 305151307 /nfs/dbraw/zinc/15/13/07/305151307.db2.gz HJIPIMBBPKMEEV-MRXNPFEDSA-N 2 1 337.439 1.914 20 0 EDADMP COc1cccc(CCC[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436055226 305151427 /nfs/dbraw/zinc/15/14/27/305151427.db2.gz SSDZKUFULBXWKC-KRWDZBQOSA-N 2 1 333.476 1.947 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1C ZINC000438113776 305181362 /nfs/dbraw/zinc/18/13/62/305181362.db2.gz GOMHWWHFDPUORS-UHFFFAOYSA-N 2 1 336.480 1.837 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000441117319 305217624 /nfs/dbraw/zinc/21/76/24/305217624.db2.gz QUIJFZRONQJRND-HUUCEWRRSA-N 2 1 346.475 1.628 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000441117319 305217625 /nfs/dbraw/zinc/21/76/25/305217625.db2.gz QUIJFZRONQJRND-HUUCEWRRSA-N 2 1 346.475 1.628 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)NCC[N@H+]2CCCC(C)(C)C2)CCSC1 ZINC000445103420 305256353 /nfs/dbraw/zinc/25/63/53/305256353.db2.gz FLYLORQZWJDHGC-KRWDZBQOSA-N 2 1 342.553 1.845 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000445623724 305259302 /nfs/dbraw/zinc/25/93/02/305259302.db2.gz LXBVOHYYRIDHIG-MRXNPFEDSA-N 2 1 346.475 1.330 20 0 EDADMP C[N@@H+](CCO)C1CCN(C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000448262446 305294970 /nfs/dbraw/zinc/29/49/70/305294970.db2.gz XLDFHDUCGHVMSB-MRXNPFEDSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH+](CCO)C1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448262446 305294971 /nfs/dbraw/zinc/29/49/71/305294971.db2.gz XLDFHDUCGHVMSB-MRXNPFEDSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH+](CCO)C1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448262446 305294972 /nfs/dbraw/zinc/29/49/72/305294972.db2.gz XLDFHDUCGHVMSB-MRXNPFEDSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000449099866 305306574 /nfs/dbraw/zinc/30/65/74/305306574.db2.gz ABZDMCKXGHKFMR-LBPRGKRZSA-N 2 1 337.386 1.240 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)C[C@@H]1[NH+]1CCOCC1 ZINC000449138506 305307713 /nfs/dbraw/zinc/30/77/13/305307713.db2.gz IIBWIMXHLMMHCY-OAGGEKHMSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@H]1CSC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000449263716 305310213 /nfs/dbraw/zinc/31/02/13/305310213.db2.gz JDXFOXITMKZNOJ-XUXIUFHCSA-N 2 1 339.484 1.801 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C[C@H]1CC ZINC000449347815 305312125 /nfs/dbraw/zinc/31/21/25/305312125.db2.gz JGDIEXMWIGQSDE-BBWFWOEESA-N 2 1 325.497 1.853 20 0 EDADMP CO[C@H]1CC[NH+](CC(O)C[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451570745 305354420 /nfs/dbraw/zinc/35/44/20/305354420.db2.gz VDHODNWEKOFPFV-IRXDYDNUSA-N 2 1 342.524 1.841 20 0 EDADMP CO[C@H]1CC[NH+](CC(O)C[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451570745 305354421 /nfs/dbraw/zinc/35/44/21/305354421.db2.gz VDHODNWEKOFPFV-IRXDYDNUSA-N 2 1 342.524 1.841 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000451964145 305374649 /nfs/dbraw/zinc/37/46/49/305374649.db2.gz JOJLVSTZFPAJDU-KRWDZBQOSA-N 2 1 325.522 1.806 20 0 EDADMP CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000452022056 305379164 /nfs/dbraw/zinc/37/91/64/305379164.db2.gz OZGCQNXJUPNCLR-BRWVUGGUSA-N 2 1 341.496 1.007 20 0 EDADMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452343246 305390337 /nfs/dbraw/zinc/39/03/37/305390337.db2.gz ATWMGLRLWPVIBG-ROUUACIJSA-N 2 1 333.476 1.122 20 0 EDADMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452343246 305390338 /nfs/dbraw/zinc/39/03/38/305390338.db2.gz ATWMGLRLWPVIBG-ROUUACIJSA-N 2 1 333.476 1.122 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@H+](C)Cc1ccccc1 ZINC000452366579 305393385 /nfs/dbraw/zinc/39/33/85/305393385.db2.gz OSRREKUZTFCRMV-WMZOPIPTSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@@H+](C)Cc1ccccc1 ZINC000452366579 305393386 /nfs/dbraw/zinc/39/33/86/305393386.db2.gz OSRREKUZTFCRMV-WMZOPIPTSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+](C)Cc1ccccc1 ZINC000452366579 305393387 /nfs/dbraw/zinc/39/33/87/305393387.db2.gz OSRREKUZTFCRMV-WMZOPIPTSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+](C)Cc1ccccc1 ZINC000452366579 305393388 /nfs/dbraw/zinc/39/33/88/305393388.db2.gz OSRREKUZTFCRMV-WMZOPIPTSA-N 2 1 333.476 1.470 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425894920 447351920 /nfs/dbraw/zinc/35/19/20/447351920.db2.gz HNJGGLSJNHXTRT-KRWDZBQOSA-N 2 1 336.480 1.588 20 0 EDADMP CC(C)CN1CCO[C@@H](C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425894920 447351929 /nfs/dbraw/zinc/35/19/29/447351929.db2.gz HNJGGLSJNHXTRT-KRWDZBQOSA-N 2 1 336.480 1.588 20 0 EDADMP CC(C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1(CO)CCCC1 ZINC000459521147 305520588 /nfs/dbraw/zinc/52/05/88/305520588.db2.gz DCWMOGWZYKCXKD-QGZVFWFLSA-N 2 1 325.497 1.317 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000533695472 306002434 /nfs/dbraw/zinc/00/24/34/306002434.db2.gz QTDBARNUZGHXOL-MRXNPFEDSA-N 2 1 333.505 1.868 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000550777459 306154195 /nfs/dbraw/zinc/15/41/95/306154195.db2.gz DFXFWIOWDBFOQA-MRXNPFEDSA-N 2 1 340.512 1.025 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cs1 ZINC000377811220 447367863 /nfs/dbraw/zinc/36/78/63/447367863.db2.gz KJMIRPQSKYGCHK-HOTGVXAUSA-N 2 1 348.516 1.731 20 0 EDADMP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000556966593 306222116 /nfs/dbraw/zinc/22/21/16/306222116.db2.gz RELXSOYOQNOZHG-UYTYNIKBSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000556966593 306222115 /nfs/dbraw/zinc/22/21/15/306222115.db2.gz RELXSOYOQNOZHG-UYTYNIKBSA-N 2 1 337.508 1.815 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)C[N@H+]2CCC(C)(C)C2)c1 ZINC000557542210 306229103 /nfs/dbraw/zinc/22/91/03/306229103.db2.gz DVEBFZVZHNXYCP-UHFFFAOYSA-N 2 1 333.476 1.975 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414946032 447369610 /nfs/dbraw/zinc/36/96/10/447369610.db2.gz JFNWNDMFFKDSGK-DZGCQCFKSA-N 2 1 335.448 1.440 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC000422142619 447368488 /nfs/dbraw/zinc/36/84/88/447368488.db2.gz ONMIPNNALPUGMK-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)C1 ZINC000422142619 447368493 /nfs/dbraw/zinc/36/84/93/447368493.db2.gz ONMIPNNALPUGMK-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)C1 ZINC000422142619 447368498 /nfs/dbraw/zinc/36/84/98/447368498.db2.gz ONMIPNNALPUGMK-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414948495 447368765 /nfs/dbraw/zinc/36/87/65/447368765.db2.gz XKBXCYURQQUHAA-MLGOLLRUSA-N 2 1 330.432 1.073 20 0 EDADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CC[NH2+]1 ZINC000414946682 447369068 /nfs/dbraw/zinc/36/90/68/447369068.db2.gz JTEQFDBEJAYEEK-DOTOQJQBSA-N 2 1 331.460 1.918 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC000422142620 447369147 /nfs/dbraw/zinc/36/91/47/447369147.db2.gz ONMIPNNALPUGMK-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C1 ZINC000422142620 447369153 /nfs/dbraw/zinc/36/91/53/447369153.db2.gz ONMIPNNALPUGMK-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)C1 ZINC000422142620 447369157 /nfs/dbraw/zinc/36/91/57/447369157.db2.gz ONMIPNNALPUGMK-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP Cc1cc(NC(=O)[C@@H](C)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)on1 ZINC000378298309 447415175 /nfs/dbraw/zinc/41/51/75/447415175.db2.gz YEHDAYWVCNPMKU-GDBMZVCRSA-N 2 1 349.479 1.410 20 0 EDADMP Cc1cc(NC(=O)[C@@H](C)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)on1 ZINC000378298309 447415181 /nfs/dbraw/zinc/41/51/81/447415181.db2.gz YEHDAYWVCNPMKU-GDBMZVCRSA-N 2 1 349.479 1.410 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000070815619 441121778 /nfs/dbraw/zinc/12/17/78/441121778.db2.gz AKFBIYUVMYDRCG-ZBFHGGJFSA-N 2 1 330.432 1.074 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000069936947 441092657 /nfs/dbraw/zinc/09/26/57/441092657.db2.gz NMRSGPCRJUCOIG-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000105275928 441246048 /nfs/dbraw/zinc/24/60/48/441246048.db2.gz BCEWALNNGRYCEV-INIZCTEOSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000105275928 441246051 /nfs/dbraw/zinc/24/60/51/441246051.db2.gz BCEWALNNGRYCEV-INIZCTEOSA-N 2 1 326.485 1.080 20 0 EDADMP COCCOc1cccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000105476398 441256656 /nfs/dbraw/zinc/25/66/56/441256656.db2.gz SBECUDOZRVRMRI-UHFFFAOYSA-N 2 1 335.492 1.829 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000081359508 441257650 /nfs/dbraw/zinc/25/76/50/441257650.db2.gz GUWSLGMRFQJJEA-SFHVURJKSA-N 2 1 349.450 1.485 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000081359508 441257654 /nfs/dbraw/zinc/25/76/54/441257654.db2.gz GUWSLGMRFQJJEA-SFHVURJKSA-N 2 1 349.450 1.485 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCC(C)(C)[NH+](C)C)cc2)CC1 ZINC000072812371 441261460 /nfs/dbraw/zinc/26/14/60/441261460.db2.gz HQHDZWNUMGDUIX-UHFFFAOYSA-N 2 1 332.492 1.504 20 0 EDADMP CN(C(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000073988323 441378120 /nfs/dbraw/zinc/37/81/20/441378120.db2.gz RNMHVUFYLRBMSK-LJQANCHMSA-N 2 1 344.503 1.600 20 0 EDADMP C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCC[NH+]1CCc3sccc3C1)C2 ZINC000073819504 441357885 /nfs/dbraw/zinc/35/78/85/441357885.db2.gz OLGAAJLMWMXOIX-JKSUJKDBSA-N 2 1 348.516 1.984 20 0 EDADMP C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCC[NH+]1CCc3sccc3C1)C2 ZINC000073819504 441357889 /nfs/dbraw/zinc/35/78/89/441357889.db2.gz OLGAAJLMWMXOIX-JKSUJKDBSA-N 2 1 348.516 1.984 20 0 EDADMP C[NH+]1[C@@H]2CC[C@H]1CCN(C(=O)NCC[N@@H+]1CCc3sccc3C1)C2 ZINC000073819504 441357892 /nfs/dbraw/zinc/35/78/92/441357892.db2.gz OLGAAJLMWMXOIX-JKSUJKDBSA-N 2 1 348.516 1.984 20 0 EDADMP C[NH+]1[C@@H]2CC[C@H]1CCN(C(=O)NCC[N@H+]1CCc3sccc3C1)C2 ZINC000073819504 441357896 /nfs/dbraw/zinc/35/78/96/441357896.db2.gz OLGAAJLMWMXOIX-JKSUJKDBSA-N 2 1 348.516 1.984 20 0 EDADMP C[C@H](CCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+]1CCCCC1 ZINC000458655488 447439999 /nfs/dbraw/zinc/43/99/99/447439999.db2.gz PFOMEUVQIWOXPO-SJORKVTESA-N 2 1 340.512 1.397 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083716467 441370251 /nfs/dbraw/zinc/37/02/51/441370251.db2.gz UWJFSJGKJBBRTO-UHFFFAOYSA-N 2 1 336.484 1.407 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000085391112 441437693 /nfs/dbraw/zinc/43/76/93/441437693.db2.gz RHPJHKPJFOXRPS-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@@H](C)O1 ZINC000108547284 441462572 /nfs/dbraw/zinc/46/25/72/441462572.db2.gz ILAYMEODDAJHQW-BFYDXBDKSA-N 2 1 338.496 1.269 20 0 EDADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000109786269 441506589 /nfs/dbraw/zinc/50/65/89/441506589.db2.gz NRZHRLOTIJMAPX-UHFFFAOYSA-N 2 1 346.475 1.920 20 0 EDADMP CC(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000076600735 441664421 /nfs/dbraw/zinc/66/44/21/441664421.db2.gz QZGBAYYXNYIIAF-UHFFFAOYSA-N 2 1 346.475 1.282 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000137460767 441770334 /nfs/dbraw/zinc/77/03/34/441770334.db2.gz PKSIBYDXMRVMRO-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+](C)CC)[C@@H](C)C1 ZINC000115811769 441781089 /nfs/dbraw/zinc/78/10/89/441781089.db2.gz MWHJXNVVIJWZKX-JKSUJKDBSA-N 2 1 328.501 1.374 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NCC[N@H+](C)CC)[C@@H](C)C1 ZINC000115811769 441781093 /nfs/dbraw/zinc/78/10/93/441781093.db2.gz MWHJXNVVIJWZKX-JKSUJKDBSA-N 2 1 328.501 1.374 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+](C)CC)[C@@H](C)C1 ZINC000115811769 441781097 /nfs/dbraw/zinc/78/10/97/441781097.db2.gz MWHJXNVVIJWZKX-JKSUJKDBSA-N 2 1 328.501 1.374 20 0 EDADMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1C ZINC000123056996 441873641 /nfs/dbraw/zinc/87/36/41/441873641.db2.gz WNWAPVKRUAZNAS-UONOGXRCSA-N 2 1 341.477 1.127 20 0 EDADMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1C ZINC000123056996 441873645 /nfs/dbraw/zinc/87/36/45/441873645.db2.gz WNWAPVKRUAZNAS-UONOGXRCSA-N 2 1 341.477 1.127 20 0 EDADMP C[C@H]1C[C@H]([N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123056996 441873647 /nfs/dbraw/zinc/87/36/47/441873647.db2.gz WNWAPVKRUAZNAS-UONOGXRCSA-N 2 1 341.477 1.127 20 0 EDADMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123056996 441873651 /nfs/dbraw/zinc/87/36/51/441873651.db2.gz WNWAPVKRUAZNAS-UONOGXRCSA-N 2 1 341.477 1.127 20 0 EDADMP Nc1nc(-n2cccn2)cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)[nH+]1 ZINC000092923879 441841376 /nfs/dbraw/zinc/84/13/76/441841376.db2.gz GCERDWQQKYUAPV-UKRRQHHQSA-N 2 1 339.447 1.698 20 0 EDADMP CC(C)(C)[NH2+]CCNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000174239170 441905109 /nfs/dbraw/zinc/90/51/09/441905109.db2.gz ZZUWPLOCLLSBMN-KRWDZBQOSA-N 2 1 333.476 1.782 20 0 EDADMP CC(C)(C)[NH2+]CCNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000174239170 441905116 /nfs/dbraw/zinc/90/51/16/441905116.db2.gz ZZUWPLOCLLSBMN-KRWDZBQOSA-N 2 1 333.476 1.782 20 0 EDADMP CC[C@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[NH+](C)C ZINC000124959876 441969487 /nfs/dbraw/zinc/96/94/87/441969487.db2.gz YJOKBSLLFLOJLV-CRAIPNDOSA-N 2 1 333.476 1.864 20 0 EDADMP CC[C@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[NH+](C)C ZINC000124959876 441969494 /nfs/dbraw/zinc/96/94/94/441969494.db2.gz YJOKBSLLFLOJLV-CRAIPNDOSA-N 2 1 333.476 1.864 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1CCOCC1 ZINC000174487656 441929844 /nfs/dbraw/zinc/92/98/44/441929844.db2.gz YGUVEPLGVKXKID-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000079886209 442094155 /nfs/dbraw/zinc/09/41/55/442094155.db2.gz GYFMDPAUYNZWIP-WBVHZDCISA-N 2 1 347.507 1.389 20 0 EDADMP C[C@@H](C(=O)N1CCC(OCCC[NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000162201764 442073173 /nfs/dbraw/zinc/07/31/73/442073173.db2.gz MFDKMRNFMPMUSA-INIZCTEOSA-N 2 1 345.487 1.790 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@@H+]1C ZINC000120510275 442086120 /nfs/dbraw/zinc/08/61/20/442086120.db2.gz UQTWDFDJPOICFB-CXAGYDPISA-N 2 1 344.459 1.512 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@H+]1C ZINC000120510275 442086125 /nfs/dbraw/zinc/08/61/25/442086125.db2.gz UQTWDFDJPOICFB-CXAGYDPISA-N 2 1 344.459 1.512 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[NH+]1C ZINC000120510275 442086129 /nfs/dbraw/zinc/08/61/29/442086129.db2.gz UQTWDFDJPOICFB-CXAGYDPISA-N 2 1 344.459 1.512 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[NH+]1C ZINC000120510275 442086135 /nfs/dbraw/zinc/08/61/35/442086135.db2.gz UQTWDFDJPOICFB-CXAGYDPISA-N 2 1 344.459 1.512 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000120860612 442143018 /nfs/dbraw/zinc/14/30/18/442143018.db2.gz NTOXHNAIQNIBHN-CABCVRRESA-N 2 1 336.484 1.639 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000121030849 442167877 /nfs/dbraw/zinc/16/78/77/442167877.db2.gz RVJIIQGCKLJNGM-KRWDZBQOSA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000152167548 442175700 /nfs/dbraw/zinc/17/57/00/442175700.db2.gz PMUJRDOYCQJELT-SFHVURJKSA-N 2 1 333.476 1.715 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000127364098 442196631 /nfs/dbraw/zinc/19/66/31/442196631.db2.gz MCJRCFKIEYWJLX-QGZVFWFLSA-N 2 1 332.496 1.145 20 0 EDADMP C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1)[NH+]1CCSCC1 ZINC000152350726 442200870 /nfs/dbraw/zinc/20/08/70/442200870.db2.gz QAOYUXROYBJVSE-HZPDHXFCSA-N 2 1 325.522 1.901 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000176023883 442162944 /nfs/dbraw/zinc/16/29/44/442162944.db2.gz AOJRENWNFDJHPO-BSDSXHPESA-N 2 1 339.524 1.874 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000163406603 442164037 /nfs/dbraw/zinc/16/40/37/442164037.db2.gz YHJGUWQTJOMNBX-HNNXBMFYSA-N 2 1 326.466 1.128 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000163406603 442164041 /nfs/dbraw/zinc/16/40/41/442164041.db2.gz YHJGUWQTJOMNBX-HNNXBMFYSA-N 2 1 326.466 1.128 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC[C@@H]1CCO)c1ccccc1 ZINC000176295708 442206533 /nfs/dbraw/zinc/20/65/33/442206533.db2.gz IZBJHPPPRUMHME-QZTJIDSGSA-N 2 1 333.476 1.642 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176311317 442208540 /nfs/dbraw/zinc/20/85/40/442208540.db2.gz PAUWBZAAIRZEGV-MRXNPFEDSA-N 2 1 342.528 1.905 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000152439704 442213038 /nfs/dbraw/zinc/21/30/38/442213038.db2.gz QNNRQTDYIDZDRY-KGLIPLIRSA-N 2 1 337.489 1.730 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000152439704 442213039 /nfs/dbraw/zinc/21/30/39/442213039.db2.gz QNNRQTDYIDZDRY-KGLIPLIRSA-N 2 1 337.489 1.730 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCC([NH+]4CCCC4)CC3)cn2)CC1 ZINC000127746476 442223645 /nfs/dbraw/zinc/22/36/45/442223645.db2.gz HBHAVOXJWQUJLD-UHFFFAOYSA-N 2 1 344.507 1.289 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000128011097 442239806 /nfs/dbraw/zinc/23/98/06/442239806.db2.gz KKKCIHZZCDUDEW-CJNGLKHVSA-N 2 1 325.478 1.196 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000153106338 442262236 /nfs/dbraw/zinc/26/22/36/442262236.db2.gz AOSFBKGKQCHNDU-BBRMVZONSA-N 2 1 326.462 1.399 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000153125825 442262449 /nfs/dbraw/zinc/26/24/49/442262449.db2.gz BFWBGRNBCRUKHN-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CCOC)CC2)[C@H](C)C1 ZINC000128687719 442282106 /nfs/dbraw/zinc/28/21/06/442282106.db2.gz JPEBXSWDIRIZDJ-WBVHZDCISA-N 2 1 340.512 1.469 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC([NH+]2CCC[C@@H]2C)CC1 ZINC000129030951 442299070 /nfs/dbraw/zinc/29/90/70/442299070.db2.gz KIEMRSHKKMBMOB-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000129030951 442299071 /nfs/dbraw/zinc/29/90/71/442299071.db2.gz KIEMRSHKKMBMOB-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000129030951 442299072 /nfs/dbraw/zinc/29/90/72/442299072.db2.gz KIEMRSHKKMBMOB-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000171034482 442301858 /nfs/dbraw/zinc/30/18/58/442301858.db2.gz AXOFLUZAQVIKLR-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000171199956 442326894 /nfs/dbraw/zinc/32/68/94/442326894.db2.gz VXTFKFPFKPZHKS-INIZCTEOSA-N 2 1 340.443 1.306 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000131700524 442377805 /nfs/dbraw/zinc/37/78/05/442377805.db2.gz QLNMRMPMMLZEBU-WMZOPIPTSA-N 2 1 342.528 1.764 20 0 EDADMP Cn1ncc(Cl)c1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000130943571 442360602 /nfs/dbraw/zinc/36/06/02/442360602.db2.gz JFOVPNZSUYQAOA-UHFFFAOYSA-N 2 1 325.888 1.722 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178667518 442454123 /nfs/dbraw/zinc/45/41/23/442454123.db2.gz RTWXIZGLSHKNRX-IEBWSBKVSA-N 2 1 349.519 1.964 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178667518 442454124 /nfs/dbraw/zinc/45/41/24/442454124.db2.gz RTWXIZGLSHKNRX-IEBWSBKVSA-N 2 1 349.519 1.964 20 0 EDADMP CC[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000156302664 442465442 /nfs/dbraw/zinc/46/54/42/442465442.db2.gz QWNRIEHCYNTMIY-DLBZAZTESA-N 2 1 338.496 1.101 20 0 EDADMP CC[C@@H](NC(=O)C[NH2+]CC1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000178869603 442509404 /nfs/dbraw/zinc/50/94/04/442509404.db2.gz RTBGEZKYMDHZAF-MOPGFXCFSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@@H](NC(=O)C[NH2+]CC1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000178869603 442509409 /nfs/dbraw/zinc/50/94/09/442509409.db2.gz RTBGEZKYMDHZAF-MOPGFXCFSA-N 2 1 345.487 1.782 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000157182235 442558357 /nfs/dbraw/zinc/55/83/57/442558357.db2.gz HTFKXZLRUNDTDQ-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000157182235 442558361 /nfs/dbraw/zinc/55/83/61/442558361.db2.gz HTFKXZLRUNDTDQ-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1 ZINC000186576995 442565487 /nfs/dbraw/zinc/56/54/87/442565487.db2.gz RXKOFHATTQRPQM-BRWVUGGUSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000186576995 442565493 /nfs/dbraw/zinc/56/54/93/442565493.db2.gz RXKOFHATTQRPQM-BRWVUGGUSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000186576995 442565497 /nfs/dbraw/zinc/56/54/97/442565497.db2.gz RXKOFHATTQRPQM-BRWVUGGUSA-N 2 1 340.512 1.203 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cnns1 ZINC000192341839 442636883 /nfs/dbraw/zinc/63/68/83/442636883.db2.gz NBTGCYPOOXWNRK-LBPRGKRZSA-N 2 1 326.470 1.418 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000157807248 442616293 /nfs/dbraw/zinc/61/62/93/442616293.db2.gz KZBLVVMDGAEQMN-MRXNPFEDSA-N 2 1 326.485 1.079 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000187888649 442696842 /nfs/dbraw/zinc/69/68/42/442696842.db2.gz QQYDBRLHZALERC-NILFDRSVSA-N 2 1 325.840 1.436 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182596787 442792672 /nfs/dbraw/zinc/79/26/72/442792672.db2.gz WAFUGNLRFVHLBK-HOTGVXAUSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182596787 442792673 /nfs/dbraw/zinc/79/26/73/442792673.db2.gz WAFUGNLRFVHLBK-HOTGVXAUSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182596787 442792676 /nfs/dbraw/zinc/79/26/76/442792676.db2.gz WAFUGNLRFVHLBK-HOTGVXAUSA-N 2 1 340.512 1.517 20 0 EDADMP Cc1ccc(NCCCNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]c1 ZINC000193850151 442799006 /nfs/dbraw/zinc/79/90/06/442799006.db2.gz BJNLTGIOIXUQDX-OAHLLOKOSA-N 2 1 331.464 1.976 20 0 EDADMP Cc1ccc(NCCCNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]c1 ZINC000193850151 442799010 /nfs/dbraw/zinc/79/90/10/442799010.db2.gz BJNLTGIOIXUQDX-OAHLLOKOSA-N 2 1 331.464 1.976 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000188562680 442763953 /nfs/dbraw/zinc/76/39/53/442763953.db2.gz BSDBJTIKMBTFTK-QGZVFWFLSA-N 2 1 341.544 1.242 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000247305012 442846404 /nfs/dbraw/zinc/84/64/04/442846404.db2.gz PUCWJEMNHZLCQS-JFIYKMOQSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000247305012 442846410 /nfs/dbraw/zinc/84/64/10/442846410.db2.gz PUCWJEMNHZLCQS-JFIYKMOQSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000247305012 442846417 /nfs/dbraw/zinc/84/64/17/442846417.db2.gz PUCWJEMNHZLCQS-JFIYKMOQSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000247518298 442860213 /nfs/dbraw/zinc/86/02/13/442860213.db2.gz NULBYURXIWSJOP-RCCFBDPRSA-N 2 1 337.508 1.745 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)[nH+]c1 ZINC000268168296 442881250 /nfs/dbraw/zinc/88/12/50/442881250.db2.gz ZFVQBQOUIKSIJK-GDBMZVCRSA-N 2 1 331.464 1.974 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)[nH+]c1 ZINC000268168296 442881253 /nfs/dbraw/zinc/88/12/53/442881253.db2.gz ZFVQBQOUIKSIJK-GDBMZVCRSA-N 2 1 331.464 1.974 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C(=O)OC ZINC000248155854 442885132 /nfs/dbraw/zinc/88/51/32/442885132.db2.gz RIUHCWWVZDHBBO-MPTYRVRUSA-N 2 1 339.480 1.106 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)/C=C/C[NH+](C)C)CC2)cn1 ZINC000265705578 442887583 /nfs/dbraw/zinc/88/75/83/442887583.db2.gz SLUJUXXNCHKZDQ-FNORWQNLSA-N 2 1 333.480 1.445 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)/C=C/C[NH+](C)C)CC2)cn1 ZINC000265705578 442887586 /nfs/dbraw/zinc/88/75/86/442887586.db2.gz SLUJUXXNCHKZDQ-FNORWQNLSA-N 2 1 333.480 1.445 20 0 EDADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000183290119 442918339 /nfs/dbraw/zinc/91/83/39/442918339.db2.gz CSKRJDUOKZXBSW-UHFFFAOYSA-N 3 1 346.519 1.942 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734323 442944975 /nfs/dbraw/zinc/94/49/75/442944975.db2.gz JWVAPRQKVFYOKO-HNNXBMFYSA-N 2 1 338.496 1.665 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000265879936 442955394 /nfs/dbraw/zinc/95/53/94/442955394.db2.gz KHFRJCJHBGRBGM-SFHVURJKSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000265879936 442955399 /nfs/dbraw/zinc/95/53/99/442955399.db2.gz KHFRJCJHBGRBGM-SFHVURJKSA-N 2 1 345.487 1.878 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000249173016 442958392 /nfs/dbraw/zinc/95/83/92/442958392.db2.gz XTJOQYPWJCGHHN-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249173016 442958398 /nfs/dbraw/zinc/95/83/98/442958398.db2.gz XTJOQYPWJCGHHN-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249173016 442958401 /nfs/dbraw/zinc/95/84/01/442958401.db2.gz XTJOQYPWJCGHHN-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CC1(C)CC(NC(=O)NCC[N@H+]2CCCOCC2)CC(C)(C)[NH2+]1 ZINC000189547261 442976387 /nfs/dbraw/zinc/97/63/87/442976387.db2.gz NWRQHEPGHVKTSQ-UHFFFAOYSA-N 2 1 326.485 1.317 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000195021812 442977380 /nfs/dbraw/zinc/97/73/80/442977380.db2.gz ONQOWOPWSJCTEH-OWCLPIDISA-N 2 1 342.528 1.713 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000195021812 442977382 /nfs/dbraw/zinc/97/73/82/442977382.db2.gz ONQOWOPWSJCTEH-OWCLPIDISA-N 2 1 342.528 1.713 20 0 EDADMP C[C@@H](CCNC(=O)NCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000184684013 443058642 /nfs/dbraw/zinc/05/86/42/443058642.db2.gz RQKNNFAECQMZOB-INIZCTEOSA-N 2 1 326.485 1.272 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000185138454 443146276 /nfs/dbraw/zinc/14/62/76/443146276.db2.gz SRYZBYVITYVNQL-MRXNPFEDSA-N 2 1 341.544 1.432 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N2CCC[C@@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000237228927 443165359 /nfs/dbraw/zinc/16/53/59/443165359.db2.gz KGJSLHWEFHTMMG-FUHWJXTLSA-N 2 1 330.476 1.172 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000261936445 443174908 /nfs/dbraw/zinc/17/49/08/443174908.db2.gz DHYKGLWQZWCWNC-QGZVFWFLSA-N 2 1 341.459 1.896 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000261936445 443174910 /nfs/dbraw/zinc/17/49/10/443174910.db2.gz DHYKGLWQZWCWNC-QGZVFWFLSA-N 2 1 341.459 1.896 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000237535257 443175596 /nfs/dbraw/zinc/17/55/96/443175596.db2.gz CLPDSWQFVWDMIV-PKOBYXMFSA-N 2 1 344.503 1.533 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000185342869 443186802 /nfs/dbraw/zinc/18/68/02/443186802.db2.gz QNAYCDYGYPJDCP-UHFFFAOYSA-N 2 1 342.528 1.909 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000262271525 443188261 /nfs/dbraw/zinc/18/82/61/443188261.db2.gz ILLBUWXMPQBMTD-ULQDDVLXSA-N 2 1 325.497 1.757 20 0 EDADMP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266503825 443148824 /nfs/dbraw/zinc/14/88/24/443148824.db2.gz ZVIZRLKSMRGKHQ-RBUKOAKNSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266503825 443148829 /nfs/dbraw/zinc/14/88/29/443148829.db2.gz ZVIZRLKSMRGKHQ-RBUKOAKNSA-N 2 1 345.487 1.688 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236808342 443148878 /nfs/dbraw/zinc/14/88/78/443148878.db2.gz INQADRXAPFPHLX-ZHCJQAHYSA-N 2 1 325.497 1.706 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236808342 443148881 /nfs/dbraw/zinc/14/88/81/443148881.db2.gz INQADRXAPFPHLX-ZHCJQAHYSA-N 2 1 325.497 1.706 20 0 EDADMP CN(C[C@H]1CC[NH+](C)C1)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266503825 443148831 /nfs/dbraw/zinc/14/88/31/443148831.db2.gz ZVIZRLKSMRGKHQ-RBUKOAKNSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@H]1CC[NH+](C)C1)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266503825 443148836 /nfs/dbraw/zinc/14/88/36/443148836.db2.gz ZVIZRLKSMRGKHQ-RBUKOAKNSA-N 2 1 345.487 1.688 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C[NH2+]C3CC3)cc2)CC1 ZINC000236959383 443153155 /nfs/dbraw/zinc/15/31/55/443153155.db2.gz PDBTWVKKYPUHPP-UHFFFAOYSA-N 2 1 330.476 1.192 20 0 EDADMP CS(=O)(=O)NCC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261619029 443161627 /nfs/dbraw/zinc/16/16/27/443161627.db2.gz HJQOVZGHYGBMDV-AWEZNQCLSA-N 2 1 343.518 1.241 20 0 EDADMP CS(=O)(=O)NCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261619029 443161631 /nfs/dbraw/zinc/16/16/31/443161631.db2.gz HJQOVZGHYGBMDV-AWEZNQCLSA-N 2 1 343.518 1.241 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000185573292 443221576 /nfs/dbraw/zinc/22/15/76/443221576.db2.gz XETFUODNONVKAP-KRWDZBQOSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709462 443242416 /nfs/dbraw/zinc/24/24/16/443242416.db2.gz HYKWGAQRVZMKRU-RLFYNMQTSA-N 2 1 345.491 1.768 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709462 443242419 /nfs/dbraw/zinc/24/24/19/443242419.db2.gz HYKWGAQRVZMKRU-RLFYNMQTSA-N 2 1 345.491 1.768 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709462 443242422 /nfs/dbraw/zinc/24/24/22/443242422.db2.gz HYKWGAQRVZMKRU-RLFYNMQTSA-N 2 1 345.491 1.768 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000262619258 443203855 /nfs/dbraw/zinc/20/38/55/443203855.db2.gz INQADRXAPFPHLX-MTSZKFMLSA-N 2 1 325.497 1.706 20 0 EDADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000358503863 319112780 /nfs/dbraw/zinc/11/27/80/319112780.db2.gz FXUMEHCLNHVNHU-CYBMUJFWSA-N 2 1 333.398 1.863 20 0 EDADMP COCc1cccc(CNC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358503870 319112905 /nfs/dbraw/zinc/11/29/05/319112905.db2.gz HECKZTKYOGNCJZ-UHFFFAOYSA-N 2 1 331.460 1.525 20 0 EDADMP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000413812567 319291700 /nfs/dbraw/zinc/29/17/00/319291700.db2.gz CUJAIEINBWINQV-GOSISDBHSA-N 2 1 330.476 1.651 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000413812567 319291702 /nfs/dbraw/zinc/29/17/02/319291702.db2.gz CUJAIEINBWINQV-GOSISDBHSA-N 2 1 330.476 1.651 20 0 EDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414064050 319314784 /nfs/dbraw/zinc/31/47/84/319314784.db2.gz FHQORNRUNKEDBX-CHWSQXEVSA-N 2 1 342.281 1.931 20 0 EDADMP COCCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415128852 319346917 /nfs/dbraw/zinc/34/69/17/319346917.db2.gz OJCREAOXCYLAON-QGZVFWFLSA-N 2 1 345.447 1.599 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415938197 319383700 /nfs/dbraw/zinc/38/37/00/319383700.db2.gz OGRVUWUFVGIPHI-HNNXBMFYSA-N 2 1 336.436 1.256 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416163069 319395078 /nfs/dbraw/zinc/39/50/78/319395078.db2.gz WSVWXQZNFOHVRF-SFHVURJKSA-N 2 1 333.476 1.860 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416163250 319395140 /nfs/dbraw/zinc/39/51/40/319395140.db2.gz XFISJZZFBCCXOS-UHFFFAOYSA-N 2 1 345.487 1.616 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000416163250 319395142 /nfs/dbraw/zinc/39/51/42/319395142.db2.gz XFISJZZFBCCXOS-UHFFFAOYSA-N 2 1 345.487 1.616 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)CC1 ZINC000191415651 443291905 /nfs/dbraw/zinc/29/19/05/443291905.db2.gz PAAAQRCPWZQSLQ-IBGZPJMESA-N 2 1 344.503 1.315 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000185809201 443261989 /nfs/dbraw/zinc/26/19/89/443261989.db2.gz QGJHUSFFLKYKJQ-HZPDHXFCSA-N 2 1 327.517 1.042 20 0 EDADMP CC[C@H]([NH3+])C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000269283499 443266033 /nfs/dbraw/zinc/26/60/33/443266033.db2.gz GWSXCOUDPLOEKY-SFHVURJKSA-N 2 1 332.492 1.438 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000269287253 443267773 /nfs/dbraw/zinc/26/77/73/443267773.db2.gz SQIKJSQYJFJQKD-BPQIPLTHSA-N 2 1 330.476 1.171 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000416852356 319466970 /nfs/dbraw/zinc/46/69/70/319466970.db2.gz MOGQEOQSJNGKNO-WFASDCNBSA-N 2 1 340.855 1.230 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000416923406 319475304 /nfs/dbraw/zinc/47/53/04/319475304.db2.gz PUTVZQWVBRWZJQ-BZUAXINKSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)C[C@@H](C)O1 ZINC000416930474 319477154 /nfs/dbraw/zinc/47/71/54/319477154.db2.gz KSDASTMFYGOMOS-KBUPBQIOSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272444799 443319780 /nfs/dbraw/zinc/31/97/80/443319780.db2.gz JACPNLNWEPFBNA-YSIASYRMSA-N 2 1 331.504 1.943 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)[C@H]2C1 ZINC000272485744 443335127 /nfs/dbraw/zinc/33/51/27/443335127.db2.gz SHMHDHHNGQLCEQ-QRVBRYPASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000272485744 443335132 /nfs/dbraw/zinc/33/51/32/443335132.db2.gz SHMHDHHNGQLCEQ-QRVBRYPASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000272485744 443335134 /nfs/dbraw/zinc/33/51/34/443335134.db2.gz SHMHDHHNGQLCEQ-QRVBRYPASA-N 2 1 342.487 1.997 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)[nH+]c1 ZINC000272489709 443337207 /nfs/dbraw/zinc/33/72/07/443337207.db2.gz SWWGOHQZLMZXIW-JKSUJKDBSA-N 2 1 331.464 1.928 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)[nH+]c1 ZINC000272489709 443337212 /nfs/dbraw/zinc/33/72/12/443337212.db2.gz SWWGOHQZLMZXIW-JKSUJKDBSA-N 2 1 331.464 1.928 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000272650327 443396249 /nfs/dbraw/zinc/39/62/49/443396249.db2.gz FFZZGFPHRQZSBH-XJKSGUPXSA-N 2 1 332.448 1.235 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)CC[NH2+]CC1 ZINC000423262438 319760090 /nfs/dbraw/zinc/76/00/90/319760090.db2.gz MPIIBGNQSASHPX-HOCLYGCPSA-N 3 1 325.497 1.805 20 0 EDADMP C[NH+](C)C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000265414908 443634179 /nfs/dbraw/zinc/63/41/79/443634179.db2.gz ICBFEEPJDADKJZ-MSOLQXFVSA-N 2 1 346.475 1.233 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000433155997 319972661 /nfs/dbraw/zinc/97/26/61/319972661.db2.gz HEEADOBIRMBHIE-ZHALLVOQSA-N 2 1 345.487 1.906 20 0 EDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1-n1ccnn1 ZINC000286150896 443656807 /nfs/dbraw/zinc/65/68/07/443656807.db2.gz PLAVHXFINNJZRX-CVEARBPZSA-N 2 1 329.448 1.765 20 0 EDADMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436046695 320018739 /nfs/dbraw/zinc/01/87/39/320018739.db2.gz CBQBONSIWNFMGM-WBVHZDCISA-N 2 1 346.475 1.183 20 0 EDADMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436046695 320018741 /nfs/dbraw/zinc/01/87/41/320018741.db2.gz CBQBONSIWNFMGM-WBVHZDCISA-N 2 1 346.475 1.183 20 0 EDADMP CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)C ZINC000449509831 320193308 /nfs/dbraw/zinc/19/33/08/320193308.db2.gz JTQTZLRGMSQLAM-MSOLQXFVSA-N 2 1 349.523 1.607 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCCC2(C)C)c1 ZINC000454075943 320282846 /nfs/dbraw/zinc/28/28/46/320282846.db2.gz ZCJDNVYMTJVRAS-UHFFFAOYSA-N 2 1 346.475 1.677 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)Cc1ccccc1 ZINC000457491843 320328018 /nfs/dbraw/zinc/32/80/18/320328018.db2.gz VZVJKKVIQSZAGN-RCCFBDPRSA-N 2 1 330.476 1.505 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000458711233 320339277 /nfs/dbraw/zinc/33/92/77/320339277.db2.gz XCTXZKUBLWWLDC-LJQANCHMSA-N 2 1 334.508 1.988 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCCOCC2)[C@H](C)C1 ZINC000458853017 320343212 /nfs/dbraw/zinc/34/32/12/320343212.db2.gz VZBIFKFJEZYNON-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCCOCC2)[C@H](C)C1 ZINC000458853017 320343213 /nfs/dbraw/zinc/34/32/13/320343213.db2.gz VZBIFKFJEZYNON-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCCOCC2)[C@H](C)C1 ZINC000458853017 320343214 /nfs/dbraw/zinc/34/32/14/320343214.db2.gz VZBIFKFJEZYNON-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000479295236 320355068 /nfs/dbraw/zinc/35/50/68/320355068.db2.gz KPIMINGKLWANIO-QWFCFKBJSA-N 2 1 343.471 1.224 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc3c[nH+]cn3c2)CCCO1 ZINC000298475022 443776995 /nfs/dbraw/zinc/77/69/95/443776995.db2.gz UXENEOAXWYKBIX-OAHLLOKOSA-N 2 1 345.447 1.634 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCC[C@@H](O)C3)CC2)cc1 ZINC000298735902 443853460 /nfs/dbraw/zinc/85/34/60/443853460.db2.gz ZIJMDOPIINJHTG-LJQANCHMSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000298735902 443853464 /nfs/dbraw/zinc/85/34/64/443853464.db2.gz ZIJMDOPIINJHTG-LJQANCHMSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000298735902 443853467 /nfs/dbraw/zinc/85/34/67/443853467.db2.gz ZIJMDOPIINJHTG-LJQANCHMSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000298735902 443853471 /nfs/dbraw/zinc/85/34/71/443853471.db2.gz ZIJMDOPIINJHTG-LJQANCHMSA-N 2 1 345.487 1.486 20 0 EDADMP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000281581383 443950124 /nfs/dbraw/zinc/95/01/24/443950124.db2.gz BNZSLKBHODMVQP-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000281581383 443950126 /nfs/dbraw/zinc/95/01/26/443950126.db2.gz BNZSLKBHODMVQP-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000281670157 443974843 /nfs/dbraw/zinc/97/48/43/443974843.db2.gz SYGYCTKJDHBWMQ-SJORKVTESA-N 2 1 345.487 1.810 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000281670157 443974845 /nfs/dbraw/zinc/97/48/45/443974845.db2.gz SYGYCTKJDHBWMQ-SJORKVTESA-N 2 1 345.487 1.810 20 0 EDADMP COCCCNC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000299386554 444034573 /nfs/dbraw/zinc/03/45/73/444034573.db2.gz RFDXDBYAWAOPOT-IAGOWNOFSA-N 2 1 347.503 1.885 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000299305557 444012366 /nfs/dbraw/zinc/01/23/66/444012366.db2.gz BEKHCNTYLQLCJG-MRXNPFEDSA-N 2 1 331.460 1.937 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000299305557 444012372 /nfs/dbraw/zinc/01/23/72/444012372.db2.gz BEKHCNTYLQLCJG-MRXNPFEDSA-N 2 1 331.460 1.937 20 0 EDADMP C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000299572568 444082478 /nfs/dbraw/zinc/08/24/78/444082478.db2.gz AZSSLKPZKMIYLD-GOSISDBHSA-N 2 1 344.503 1.357 20 0 EDADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000299572568 444082482 /nfs/dbraw/zinc/08/24/82/444082482.db2.gz AZSSLKPZKMIYLD-GOSISDBHSA-N 2 1 344.503 1.357 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000557354329 321003028 /nfs/dbraw/zinc/00/30/28/321003028.db2.gz GLILAWXBIVTKSF-CYBMUJFWSA-N 2 1 329.404 1.263 20 0 EDADMP CCN(CC[NH+]1CCCCCC1)C(=O)NCCC[NH+]1CCOCC1 ZINC000562175037 321047408 /nfs/dbraw/zinc/04/74/08/321047408.db2.gz KYJUODYRWRVPDX-UHFFFAOYSA-N 2 1 340.512 1.616 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000562802908 321076928 /nfs/dbraw/zinc/07/69/28/321076928.db2.gz HPPHGSURPIVGAA-KZNAEPCWSA-N 2 1 330.476 1.806 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)C2 ZINC000563137848 321097818 /nfs/dbraw/zinc/09/78/18/321097818.db2.gz JRZVAIRKPOWNMN-IAGOWNOFSA-N 2 1 329.444 1.234 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000563212926 321100644 /nfs/dbraw/zinc/10/06/44/321100644.db2.gz GQWWOTSVDXJYHU-LJQANCHMSA-N 2 1 344.503 1.799 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-n2ccnn2)cc1 ZINC000564230363 321123903 /nfs/dbraw/zinc/12/39/03/321123903.db2.gz RDIXLMRMUODBLS-OAHLLOKOSA-N 2 1 342.447 1.082 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000564440488 321131659 /nfs/dbraw/zinc/13/16/59/321131659.db2.gz LSZDCMXRMPGRHZ-JKSUJKDBSA-N 3 1 340.537 1.380 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)Cn3ccnc3)CC2)CC1 ZINC000564736962 321144608 /nfs/dbraw/zinc/14/46/08/321144608.db2.gz QRTAKEAJGDTAQF-INIZCTEOSA-N 2 1 347.507 1.584 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000565046755 321166793 /nfs/dbraw/zinc/16/67/93/321166793.db2.gz SFIMFNUIOLIFPP-JKSUJKDBSA-N 3 1 334.508 1.051 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(C)CCOCC3)CC2)CC1 ZINC000565185819 321174878 /nfs/dbraw/zinc/17/48/78/321174878.db2.gz MLQJSQYDWIIQHW-UHFFFAOYSA-N 2 1 337.508 1.868 20 0 EDADMP CC[C@@H](O)CCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000565188602 321175660 /nfs/dbraw/zinc/17/56/60/321175660.db2.gz JNXUCLOXLKXOGF-GOSISDBHSA-N 2 1 339.524 1.850 20 0 EDADMP C[NH+]1CCC(CCO)([NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC000565372443 321184881 /nfs/dbraw/zinc/18/48/81/321184881.db2.gz JSMUAMNRVPSUTR-UHFFFAOYSA-N 2 1 339.524 1.850 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566972221 321237637 /nfs/dbraw/zinc/23/76/37/321237637.db2.gz RTYSERPPGHPLPS-CUSZFKRNSA-N 2 1 348.491 1.701 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566972221 321237638 /nfs/dbraw/zinc/23/76/38/321237638.db2.gz RTYSERPPGHPLPS-CUSZFKRNSA-N 2 1 348.491 1.701 20 0 EDADMP C[C@@]1(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000570028716 321334639 /nfs/dbraw/zinc/33/46/39/321334639.db2.gz KSJUXYVTUWDXGV-IEBWSBKVSA-N 2 1 330.476 1.950 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@H](c2ncc[nH]2)c2ccccc2)CC[N@@H+]1CCO ZINC000570565337 321348036 /nfs/dbraw/zinc/34/80/36/321348036.db2.gz DDFRHKZXWUKCOC-WBVHZDCISA-N 2 1 342.443 1.457 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000570573636 321349104 /nfs/dbraw/zinc/34/91/04/321349104.db2.gz XKLNDNJLSWEVHG-GDBMZVCRSA-N 2 1 346.475 1.711 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000570815183 321360037 /nfs/dbraw/zinc/36/00/37/321360037.db2.gz FJQCNFFMUZCVFR-HUHSQHJXSA-N 2 1 328.460 1.666 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cn2cc[nH+]c12 ZINC000294638199 444131492 /nfs/dbraw/zinc/13/14/92/444131492.db2.gz GESQJYNVGRJSEY-AWEZNQCLSA-N 2 1 343.431 1.381 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cn2cc[nH+]c12 ZINC000294638199 444131496 /nfs/dbraw/zinc/13/14/96/444131496.db2.gz GESQJYNVGRJSEY-AWEZNQCLSA-N 2 1 343.431 1.381 20 0 EDADMP C[C@H]1CCNC(=O)[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000282305897 444143251 /nfs/dbraw/zinc/14/32/51/444143251.db2.gz MSORIQLKAQGGFY-KBXCAEBGSA-N 2 1 333.451 1.947 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289444805 444145471 /nfs/dbraw/zinc/14/54/71/444145471.db2.gz ORZPMLJJMQSLGX-SFHVURJKSA-N 2 1 337.508 1.550 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000573463698 321455835 /nfs/dbraw/zinc/45/58/35/321455835.db2.gz SGZYHAYPDVMSLY-SJLPKXTDSA-N 2 1 338.496 1.128 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000289619343 444181936 /nfs/dbraw/zinc/18/19/36/444181936.db2.gz BAQIPFSIAHSUQP-IAGOWNOFSA-N 2 1 347.459 1.438 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCC(O)CC1 ZINC000296107809 444204787 /nfs/dbraw/zinc/20/47/87/444204787.db2.gz ZHDZIHUWLXEWGR-XLIONFOSSA-N 2 1 331.504 1.943 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCC(O)CC1 ZINC000296107809 444204789 /nfs/dbraw/zinc/20/47/89/444204789.db2.gz ZHDZIHUWLXEWGR-XLIONFOSSA-N 2 1 331.504 1.943 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000290218226 444255444 /nfs/dbraw/zinc/25/54/44/444255444.db2.gz STAKVZDVXZWJMU-ROUUACIJSA-N 2 1 345.491 1.098 20 0 EDADMP CN(CCC[N@@H+](C)Cc1c[nH]nc1-c1cccnc1)CC[NH+](C)C ZINC000290276556 444261832 /nfs/dbraw/zinc/26/18/32/444261832.db2.gz YPSNMMMELXAJDF-UHFFFAOYSA-N 2 1 330.480 1.787 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000576806837 321597632 /nfs/dbraw/zinc/59/76/32/321597632.db2.gz JJNLOOVYPHLPBQ-ZIAGYGMSSA-N 2 1 326.485 1.173 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000296508779 444234306 /nfs/dbraw/zinc/23/43/06/444234306.db2.gz RLDFQEJUWDALTL-QGZVFWFLSA-N 2 1 344.503 1.451 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000290684723 444310374 /nfs/dbraw/zinc/31/03/74/444310374.db2.gz UJTPGXCSNABQNJ-OAHLLOKOSA-N 2 1 336.480 1.872 20 0 EDADMP O=C(NCc1ccc2cncn2c1)N1CCC[C@H]1CN1CCOCC1 ZINC000297714879 444323159 /nfs/dbraw/zinc/32/31/59/444323159.db2.gz YVVGHVIXQJQWIW-KRWDZBQOSA-N 2 1 343.431 1.341 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000298065171 444403150 /nfs/dbraw/zinc/40/31/50/444403150.db2.gz JCWXKVZWAPZYHN-HNNXBMFYSA-N 2 1 343.431 1.654 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000331164130 444425976 /nfs/dbraw/zinc/42/59/76/444425976.db2.gz XSSMARJXTMGGST-GJZGRUSLSA-N 2 1 336.484 1.781 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000580071928 322005695 /nfs/dbraw/zinc/00/56/95/322005695.db2.gz FYMYLBMQDOBHNP-AEFFLSMTSA-N 2 1 330.476 1.752 20 0 EDADMP COc1ccccc1N1CC[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000580947537 322115944 /nfs/dbraw/zinc/11/59/44/322115944.db2.gz VXTCPCNINCLTPO-WBVHZDCISA-N 2 1 333.476 1.566 20 0 EDADMP COc1ccccc1N1CC[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000580947537 322115946 /nfs/dbraw/zinc/11/59/46/322115946.db2.gz VXTCPCNINCLTPO-WBVHZDCISA-N 2 1 333.476 1.566 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581235757 322151888 /nfs/dbraw/zinc/15/18/88/322151888.db2.gz IDLWEGHSQLUMKC-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581235757 322151890 /nfs/dbraw/zinc/15/18/90/322151890.db2.gz IDLWEGHSQLUMKC-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581235757 322151893 /nfs/dbraw/zinc/15/18/93/322151893.db2.gz IDLWEGHSQLUMKC-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000581246268 322154349 /nfs/dbraw/zinc/15/43/49/322154349.db2.gz OCBWMYQWOBOMRE-QSMSVPEVSA-N 2 1 341.540 1.413 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)COC1CCC([NH3+])CC1)[NH+](C)C ZINC000581604766 322197908 /nfs/dbraw/zinc/19/79/08/322197908.db2.gz VZNGEKNVLPQZFJ-DQPZFDDXSA-N 2 1 349.475 1.701 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000338236175 444579845 /nfs/dbraw/zinc/57/98/45/444579845.db2.gz HVBIZGVNADXCEL-KRWDZBQOSA-N 2 1 345.553 1.712 20 0 EDADMP CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000338180758 444551954 /nfs/dbraw/zinc/55/19/54/444551954.db2.gz BUTLASCASPPZMR-OAGGEKHMSA-N 2 1 333.476 1.910 20 0 EDADMP C[C@H](C[NH+](C)C)Nc1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC000343782219 444588061 /nfs/dbraw/zinc/58/80/61/444588061.db2.gz BEZDTVMSVSLEEW-CQSZACIVSA-N 2 1 328.464 1.744 20 0 EDADMP Cc1nccc(N2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000329488045 444600562 /nfs/dbraw/zinc/60/05/62/444600562.db2.gz GVRUZJBNYKSTRN-INIZCTEOSA-N 2 1 331.464 1.698 20 0 EDADMP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000343802655 444601163 /nfs/dbraw/zinc/60/11/63/444601163.db2.gz ASUFZVKGEOQKIA-UXHICEINSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)[C@](C)(O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000343802655 444601165 /nfs/dbraw/zinc/60/11/65/444601165.db2.gz ASUFZVKGEOQKIA-UXHICEINSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000343802655 444601167 /nfs/dbraw/zinc/60/11/67/444601167.db2.gz ASUFZVKGEOQKIA-UXHICEINSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000343802655 444601170 /nfs/dbraw/zinc/60/11/70/444601170.db2.gz ASUFZVKGEOQKIA-UXHICEINSA-N 2 1 346.471 1.899 20 0 EDADMP CCN1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1c1ncc[nH]1 ZINC000332953994 444608937 /nfs/dbraw/zinc/60/89/37/444608937.db2.gz GHFHCXCUHYBCPT-GDBMZVCRSA-N 2 1 346.479 1.282 20 0 EDADMP CCC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1nnc2ccccn21 ZINC000338291626 444615030 /nfs/dbraw/zinc/61/50/30/444615030.db2.gz XQNJWVBLBBPGAL-HNNXBMFYSA-N 2 1 344.463 1.324 20 0 EDADMP CC[NH+](CC)CCC[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1nccn1C ZINC000338301402 444618936 /nfs/dbraw/zinc/61/89/36/444618936.db2.gz IXGNORDXYBFSES-DLBZAZTESA-N 2 1 339.503 1.996 20 0 EDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1nccn1C ZINC000338301402 444618939 /nfs/dbraw/zinc/61/89/39/444618939.db2.gz IXGNORDXYBFSES-DLBZAZTESA-N 2 1 339.503 1.996 20 0 EDADMP COc1ccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(OC)c1 ZINC000341171862 444709393 /nfs/dbraw/zinc/70/93/93/444709393.db2.gz CEIJKSIVQZXWOE-UHFFFAOYSA-N 2 1 335.448 1.916 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000341213739 444733092 /nfs/dbraw/zinc/73/30/92/444733092.db2.gz OSZASERXLZBURI-IRXDYDNUSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000342425606 444686265 /nfs/dbraw/zinc/68/62/65/444686265.db2.gz PHSFEJUFKSNMBM-BEFAXECRSA-N 2 1 345.487 1.457 20 0 EDADMP C[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[NH+]1CCSCC1 ZINC000343958898 444694803 /nfs/dbraw/zinc/69/48/03/444694803.db2.gz RCFWWBZFGNLQEH-HOCLYGCPSA-N 2 1 325.522 1.614 20 0 EDADMP C[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[NH+]1CCSCC1 ZINC000343958898 444694804 /nfs/dbraw/zinc/69/48/04/444694804.db2.gz RCFWWBZFGNLQEH-HOCLYGCPSA-N 2 1 325.522 1.614 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CC[C@@H]1CCCO1)c1ccccc1 ZINC000342561600 444745278 /nfs/dbraw/zinc/74/52/78/444745278.db2.gz BSBHCZKXLKFOQV-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](CCOC)C1)c1ccccc1 ZINC000341273543 444756801 /nfs/dbraw/zinc/75/68/01/444756801.db2.gz BURVFJFDOHTXPW-ROUUACIJSA-N 2 1 333.476 1.906 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)CC(C)(C)C2)C1 ZINC000344061883 444759089 /nfs/dbraw/zinc/75/90/89/444759089.db2.gz MYKJQMYUKBJGKU-IAGOWNOFSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](C)CC(C)(C)C2)C1 ZINC000344061883 444759093 /nfs/dbraw/zinc/75/90/93/444759093.db2.gz MYKJQMYUKBJGKU-IAGOWNOFSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](C)CC(C)(C)C2)C1 ZINC000344061883 444759096 /nfs/dbraw/zinc/75/90/96/444759096.db2.gz MYKJQMYUKBJGKU-IAGOWNOFSA-N 2 1 339.524 1.827 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000344133848 444799321 /nfs/dbraw/zinc/79/93/21/444799321.db2.gz MEORFPPWKYZYPB-QGZVFWFLSA-N 2 1 342.487 1.795 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C ZINC000336857637 444805690 /nfs/dbraw/zinc/80/56/90/444805690.db2.gz UCJWJVXANLRGOC-OAGGEKHMSA-N 2 1 331.526 1.463 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C ZINC000336857637 444805693 /nfs/dbraw/zinc/80/56/93/444805693.db2.gz UCJWJVXANLRGOC-OAGGEKHMSA-N 2 1 331.526 1.463 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C ZINC000336857637 444805696 /nfs/dbraw/zinc/80/56/96/444805696.db2.gz UCJWJVXANLRGOC-OAGGEKHMSA-N 2 1 331.526 1.463 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)C(=O)N[C@@H](C)CC ZINC000344157714 444813032 /nfs/dbraw/zinc/81/30/32/444813032.db2.gz WJLRBAIHIGIAMW-IRXDYDNUSA-N 2 1 326.529 1.639 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)C(=O)N1CCCCC1 ZINC000344115998 444789154 /nfs/dbraw/zinc/78/91/54/444789154.db2.gz AKLVEQIZYCGVJS-SFHVURJKSA-N 2 1 338.540 1.737 20 0 EDADMP CC[N@H+](CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1)C(C)C ZINC000338769604 444845553 /nfs/dbraw/zinc/84/55/53/444845553.db2.gz WCLVNHVVWZOWKC-UHFFFAOYSA-N 2 1 335.496 1.479 20 0 EDADMP CC[N@@H+](CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1)C(C)C ZINC000338769604 444845556 /nfs/dbraw/zinc/84/55/56/444845556.db2.gz WCLVNHVVWZOWKC-UHFFFAOYSA-N 2 1 335.496 1.479 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000344253230 444863797 /nfs/dbraw/zinc/86/37/97/444863797.db2.gz NCPNWSCPFRZLCO-NVXWUHKLSA-N 2 1 340.512 1.658 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000341546475 444886627 /nfs/dbraw/zinc/88/66/27/444886627.db2.gz IDMKEZYGURRERI-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000342950670 444961409 /nfs/dbraw/zinc/96/14/09/444961409.db2.gz MDNALBKRSOEDIN-MSOLQXFVSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000342950670 444961414 /nfs/dbraw/zinc/96/14/14/444961414.db2.gz MDNALBKRSOEDIN-MSOLQXFVSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000342950670 444961419 /nfs/dbraw/zinc/96/14/19/444961419.db2.gz MDNALBKRSOEDIN-MSOLQXFVSA-N 2 1 337.508 1.747 20 0 EDADMP C[C@@H](C(=O)NCCCC[NH+]1CCC[C@H]1CO)[N@@H+](C)Cc1ccccc1 ZINC000342954987 444964724 /nfs/dbraw/zinc/96/47/24/444964724.db2.gz DDWVUXFJVNHTFY-HKUYNNGSSA-N 2 1 347.503 1.860 20 0 EDADMP C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)[NH+](C)Cc1ccccc1 ZINC000342954987 444964730 /nfs/dbraw/zinc/96/47/30/444964730.db2.gz DDWVUXFJVNHTFY-HKUYNNGSSA-N 2 1 347.503 1.860 20 0 EDADMP C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)[NH+](C)Cc1ccccc1 ZINC000342954987 444964733 /nfs/dbraw/zinc/96/47/33/444964733.db2.gz DDWVUXFJVNHTFY-HKUYNNGSSA-N 2 1 347.503 1.860 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000342957154 444966983 /nfs/dbraw/zinc/96/69/83/444966983.db2.gz UQOASYZYPZPEOD-MRXNPFEDSA-N 2 1 334.439 1.877 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CCCCn2ccnc2C)C1 ZINC000344471403 444996364 /nfs/dbraw/zinc/99/63/64/444996364.db2.gz IVOMDHQFVFGAMT-IRXDYDNUSA-N 2 1 334.464 1.683 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000344471403 444996372 /nfs/dbraw/zinc/99/63/72/444996372.db2.gz IVOMDHQFVFGAMT-IRXDYDNUSA-N 2 1 334.464 1.683 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343126617 445082334 /nfs/dbraw/zinc/08/23/34/445082334.db2.gz CXXFIYJBOXRXIY-KURKYZTESA-N 2 1 336.524 1.251 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343147834 445096137 /nfs/dbraw/zinc/09/61/37/445096137.db2.gz DEEFEVKZWAVXKX-NZSAHSFTSA-N 2 1 342.487 1.328 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343147834 445096142 /nfs/dbraw/zinc/09/61/42/445096142.db2.gz DEEFEVKZWAVXKX-NZSAHSFTSA-N 2 1 342.487 1.328 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343147834 445096145 /nfs/dbraw/zinc/09/61/45/445096145.db2.gz DEEFEVKZWAVXKX-NZSAHSFTSA-N 2 1 342.487 1.328 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342109260 445175523 /nfs/dbraw/zinc/17/55/23/445175523.db2.gz RCBCPALQSITLJR-NXNVCVFFSA-N 2 1 331.460 1.932 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342109260 445175527 /nfs/dbraw/zinc/17/55/27/445175527.db2.gz RCBCPALQSITLJR-NXNVCVFFSA-N 2 1 331.460 1.932 20 0 EDADMP CN(CCCOc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342114248 445178356 /nfs/dbraw/zinc/17/83/56/445178356.db2.gz BZJPGXGTVXCLGF-YTQUADARSA-N 2 1 345.487 1.973 20 0 EDADMP C[C@@H]1CN(CC2(C[NH+]3C[C@H](C)N(C)[C@@H](C)C3)COC2)C[C@H](C)[N@H+]1C ZINC000339621743 445153807 /nfs/dbraw/zinc/15/38/07/445153807.db2.gz JHUWUVROCHRFFQ-XLAORIBOSA-N 2 1 338.540 1.052 20 0 EDADMP C[C@@H]1C[N@@H+](CC2(CN3C[C@H](C)[NH+](C)[C@@H](C)C3)COC2)C[C@H](C)N1C ZINC000339621743 445153812 /nfs/dbraw/zinc/15/38/12/445153812.db2.gz JHUWUVROCHRFFQ-XLAORIBOSA-N 2 1 338.540 1.052 20 0 EDADMP C[C@@H]1C[N@H+](CC2(CN3C[C@H](C)[NH+](C)[C@@H](C)C3)COC2)C[C@H](C)N1C ZINC000339621743 445153815 /nfs/dbraw/zinc/15/38/15/445153815.db2.gz JHUWUVROCHRFFQ-XLAORIBOSA-N 2 1 338.540 1.052 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)C[C@H]21 ZINC000342079111 445160324 /nfs/dbraw/zinc/16/03/24/445160324.db2.gz DUORMEWDDIXSDV-GVDBMIGSSA-N 2 1 344.459 1.462 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000346162626 445206977 /nfs/dbraw/zinc/20/69/77/445206977.db2.gz ZMOHXBMQXNXYGU-IBGZPJMESA-N 2 1 341.459 1.872 20 0 EDADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)CC1 ZINC000343358569 445209208 /nfs/dbraw/zinc/20/92/08/445209208.db2.gz DHCHANUSTHSOBM-RTBURBONSA-N 2 1 348.535 1.347 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCN2CCCC2=O)[C@@H](C)C1 ZINC000346561218 445218291 /nfs/dbraw/zinc/21/82/91/445218291.db2.gz KLMJREFGLBRLRC-IRXDYDNUSA-N 2 1 325.497 1.726 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCNc2ccc(C)c[nH+]2)C[C@@H]1C ZINC000345745334 445198193 /nfs/dbraw/zinc/19/81/93/445198193.db2.gz UMIDACMUHUQOSC-JKSUJKDBSA-N 2 1 333.480 2.316 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCCCNc2ccc(C)c[nH+]2)C[C@@H]1C ZINC000345745334 445198194 /nfs/dbraw/zinc/19/81/94/445198194.db2.gz UMIDACMUHUQOSC-JKSUJKDBSA-N 2 1 333.480 2.316 20 0 EDADMP CC(C[NH+]1CCCC[C@H]1CC(N)=O)C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000346645275 445220892 /nfs/dbraw/zinc/22/08/92/445220892.db2.gz PERFRLIKWIXMRE-HOTGVXAUSA-N 2 1 338.496 1.082 20 0 EDADMP Cn1nccc1[C@@H]1OCC[C@@H]1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000343513973 445236834 /nfs/dbraw/zinc/23/68/34/445236834.db2.gz IIUYHPFMKUAHLF-NVXWUHKLSA-N 2 1 335.496 1.113 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)[NH+](C)C1 ZINC000347563788 445242531 /nfs/dbraw/zinc/24/25/31/445242531.db2.gz NTPOPGRISFMLDS-IXDOHACOSA-N 2 1 340.512 1.325 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)[N@H+](C)C1 ZINC000347563788 445242533 /nfs/dbraw/zinc/24/25/33/445242533.db2.gz NTPOPGRISFMLDS-IXDOHACOSA-N 2 1 340.512 1.325 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)[N@@H+](C)C1 ZINC000347563788 445242534 /nfs/dbraw/zinc/24/25/34/445242534.db2.gz NTPOPGRISFMLDS-IXDOHACOSA-N 2 1 340.512 1.325 20 0 EDADMP CC[NH+](CC)CC1CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC1 ZINC000343571454 445245949 /nfs/dbraw/zinc/24/59/49/445245949.db2.gz UZGHPZWTBBXXOG-UHFFFAOYSA-N 2 1 340.512 1.071 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@H]1CCC[NH+]1C ZINC000347901157 445254911 /nfs/dbraw/zinc/25/49/11/445254911.db2.gz NBJSEBYEAWQZLU-UAGQMJEPSA-N 2 1 333.480 1.356 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000347901157 445254912 /nfs/dbraw/zinc/25/49/12/445254912.db2.gz NBJSEBYEAWQZLU-UAGQMJEPSA-N 2 1 333.480 1.356 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000347901157 445254914 /nfs/dbraw/zinc/25/49/14/445254914.db2.gz NBJSEBYEAWQZLU-UAGQMJEPSA-N 2 1 333.480 1.356 20 0 EDADMP CCC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000347924828 445256279 /nfs/dbraw/zinc/25/62/79/445256279.db2.gz KAAGGGRQDLOTKT-DJIMGWMZSA-N 2 1 335.496 1.650 20 0 EDADMP C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347949164 445257032 /nfs/dbraw/zinc/25/70/32/445257032.db2.gz GZFITQYEQQWDFT-GJZGRUSLSA-N 2 1 331.526 1.511 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000348211331 445317351 /nfs/dbraw/zinc/31/73/51/445317351.db2.gz RZOUECYXLQVLEF-IAGOWNOFSA-N 2 1 338.496 1.080 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000348211331 445317353 /nfs/dbraw/zinc/31/73/53/445317353.db2.gz RZOUECYXLQVLEF-IAGOWNOFSA-N 2 1 338.496 1.080 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000348211331 445317356 /nfs/dbraw/zinc/31/73/56/445317356.db2.gz RZOUECYXLQVLEF-IAGOWNOFSA-N 2 1 338.496 1.080 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000348377383 445270923 /nfs/dbraw/zinc/27/09/23/445270923.db2.gz MRHGPUQVYNZBGW-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000348377383 445270925 /nfs/dbraw/zinc/27/09/25/445270925.db2.gz MRHGPUQVYNZBGW-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000348377383 445270927 /nfs/dbraw/zinc/27/09/27/445270927.db2.gz MRHGPUQVYNZBGW-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351718247 445289972 /nfs/dbraw/zinc/28/99/72/445289972.db2.gz POYLMANJAAUOLT-KXBFYZLASA-N 2 1 335.467 1.959 20 0 EDADMP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351718247 445289977 /nfs/dbraw/zinc/28/99/77/445289977.db2.gz POYLMANJAAUOLT-KXBFYZLASA-N 2 1 335.467 1.959 20 0 EDADMP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000357100409 445428518 /nfs/dbraw/zinc/42/85/18/445428518.db2.gz FFZWYCAOUMCGPD-HNNXBMFYSA-N 2 1 345.443 1.718 20 0 EDADMP C[NH+](C)CCOc1cnccc1CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000359718688 445391301 /nfs/dbraw/zinc/39/13/01/445391301.db2.gz GNUSOSQXGAMZBZ-UHFFFAOYSA-N 2 1 347.463 1.083 20 0 EDADMP CC[N@H+]1C[C@H](C)N(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000355067783 445442110 /nfs/dbraw/zinc/44/21/10/445442110.db2.gz YNIIAIRKDXOGGX-LNLFQRSKSA-N 2 1 346.519 1.820 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[NH2+][C@H]2CCSC2)cc[nH+]1 ZINC000348932212 445445663 /nfs/dbraw/zinc/44/56/63/445445663.db2.gz VPLKFQRJJHSYTR-FRRDWIJNSA-N 2 1 325.457 1.555 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000355354289 445456871 /nfs/dbraw/zinc/45/68/71/445456871.db2.gz RSTJNPQEFGAAAC-JKSUJKDBSA-N 2 1 343.537 1.383 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000355406567 445458352 /nfs/dbraw/zinc/45/83/52/445458352.db2.gz DQUJVXXFFKZSFQ-FGTMMUONSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000355406567 445458356 /nfs/dbraw/zinc/45/83/56/445458356.db2.gz DQUJVXXFFKZSFQ-FGTMMUONSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000355406567 445458360 /nfs/dbraw/zinc/45/83/60/445458360.db2.gz DQUJVXXFFKZSFQ-FGTMMUONSA-N 2 1 336.524 1.488 20 0 EDADMP c1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000352373775 445523903 /nfs/dbraw/zinc/52/39/03/445523903.db2.gz PDFPVHSHHKYPCL-INIZCTEOSA-N 2 1 345.491 2.380 20 0 EDADMP CC(C)C[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000362735987 445524275 /nfs/dbraw/zinc/52/42/75/445524275.db2.gz MFKKVZWVZAUMBG-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP CC(C)C[N@H+]1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000362735987 445524278 /nfs/dbraw/zinc/52/42/78/445524278.db2.gz MFKKVZWVZAUMBG-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP C[C@H]1C[C@H](C)C[NH+](CCCCNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000352390633 445525974 /nfs/dbraw/zinc/52/59/74/445525974.db2.gz FPXPELMATWIYJJ-IRXDYDNUSA-N 2 1 347.507 2.483 20 0 EDADMP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000352550127 445537313 /nfs/dbraw/zinc/53/73/13/445537313.db2.gz KJBBBXUMHCYEDP-OWCLPIDISA-N 2 1 332.510 1.169 20 0 EDADMP CS(=O)(=O)N1CCC[C@@H](C[N@@H+](CCC[NH3+])CC2CCCC2)C1 ZINC000352495576 445534380 /nfs/dbraw/zinc/53/43/80/445534380.db2.gz MUVCHOXPUOABFW-INIZCTEOSA-N 2 1 331.526 1.499 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360085048 445557945 /nfs/dbraw/zinc/55/79/45/445557945.db2.gz OBAJYNGRZGPCPS-XDNAFOTISA-N 2 1 339.524 1.920 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360085048 445557949 /nfs/dbraw/zinc/55/79/49/445557949.db2.gz OBAJYNGRZGPCPS-XDNAFOTISA-N 2 1 339.524 1.920 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360085048 445557950 /nfs/dbraw/zinc/55/79/50/445557950.db2.gz OBAJYNGRZGPCPS-XDNAFOTISA-N 2 1 339.524 1.920 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360085048 445557956 /nfs/dbraw/zinc/55/79/56/445557956.db2.gz OBAJYNGRZGPCPS-XDNAFOTISA-N 2 1 339.524 1.920 20 0 EDADMP CCc1oc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1C(=O)OC ZINC000349337263 445566445 /nfs/dbraw/zinc/56/64/45/445566445.db2.gz ZLTLZAQBQLOONM-UHFFFAOYSA-N 2 1 337.464 1.698 20 0 EDADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCOCC[NH+](C)C ZINC000349244947 445544544 /nfs/dbraw/zinc/54/45/44/445544544.db2.gz SMZDOGLMJCJSQK-UHFFFAOYSA-N 2 1 348.896 1.801 20 0 EDADMP C[NH+]1CCC(CC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000362868937 445588714 /nfs/dbraw/zinc/58/87/14/445588714.db2.gz RWANGIQNDLOMNU-FQEVSTJZSA-N 2 1 345.487 1.472 20 0 EDADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NCC1(c2ccccc2)CC1 ZINC000358515544 445627584 /nfs/dbraw/zinc/62/75/84/445627584.db2.gz YULLLGQLHIIACO-UHFFFAOYSA-N 2 1 327.472 1.910 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](CCCO)Cc2ccccc2)CC1 ZINC000362963794 445629974 /nfs/dbraw/zinc/62/99/74/445629974.db2.gz PRNKXVMROLZBTA-UHFFFAOYSA-N 2 1 333.476 1.472 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCCO)Cc2ccccc2)CC1 ZINC000362963794 445629977 /nfs/dbraw/zinc/62/99/77/445629977.db2.gz PRNKXVMROLZBTA-UHFFFAOYSA-N 2 1 333.476 1.472 20 0 EDADMP COC(=O)[C@](C)(O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000353503655 445632778 /nfs/dbraw/zinc/63/27/78/445632778.db2.gz SKACQHDKKJAHBI-KVSKMBFKSA-N 2 1 334.460 1.895 20 0 EDADMP COC(=O)[C@](C)(O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000353503655 445632780 /nfs/dbraw/zinc/63/27/80/445632780.db2.gz SKACQHDKKJAHBI-KVSKMBFKSA-N 2 1 334.460 1.895 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000353503655 445632783 /nfs/dbraw/zinc/63/27/83/445632783.db2.gz SKACQHDKKJAHBI-KVSKMBFKSA-N 2 1 334.460 1.895 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000353503655 445632786 /nfs/dbraw/zinc/63/27/86/445632786.db2.gz SKACQHDKKJAHBI-KVSKMBFKSA-N 2 1 334.460 1.895 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](OCCO)C2)CC1 ZINC000353527983 445643723 /nfs/dbraw/zinc/64/37/23/445643723.db2.gz FFOPEGURLCZRMW-IBGZPJMESA-N 2 1 347.503 1.802 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000360251854 445657662 /nfs/dbraw/zinc/65/76/62/445657662.db2.gz UJWRQCFIQSMYNF-UHFFFAOYSA-N 2 1 342.399 1.989 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000356219478 445682243 /nfs/dbraw/zinc/68/22/43/445682243.db2.gz FFIUYVGQZUFRHY-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC000360330383 445697334 /nfs/dbraw/zinc/69/73/34/445697334.db2.gz UFQFUNURWZZZDP-HOJAQTOUSA-N 2 1 347.503 1.180 20 0 EDADMP CN1CC[NH+](C2(C(=O)NCC[N@H+](C)C3CCCC3)CCCC2)CC1 ZINC000360388883 445704377 /nfs/dbraw/zinc/70/43/77/445704377.db2.gz KQVGBWMTWAOHSV-UHFFFAOYSA-N 2 1 336.524 1.537 20 0 EDADMP CN1CC[NH+](C2(C(=O)NCC[N@@H+](C)C3CCCC3)CCCC2)CC1 ZINC000360388883 445704382 /nfs/dbraw/zinc/70/43/82/445704382.db2.gz KQVGBWMTWAOHSV-UHFFFAOYSA-N 2 1 336.524 1.537 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccco1 ZINC000358710604 445734706 /nfs/dbraw/zinc/73/47/06/445734706.db2.gz SSQNDWBIVWIHJY-YOEHRIQHSA-N 2 1 338.452 1.028 20 0 EDADMP COc1cc2[nH+]c(N3CCC(C[NH+](C)C)CC3)nc(N)c2cc1OC ZINC000360966572 445741817 /nfs/dbraw/zinc/74/18/17/445741817.db2.gz PUXOIODUHSFBQQ-UHFFFAOYSA-N 2 1 345.447 2.007 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC000358721510 445741951 /nfs/dbraw/zinc/74/19/51/445741951.db2.gz NIDCXJCGWASPEC-SUMDDJOVSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000358721510 445741953 /nfs/dbraw/zinc/74/19/53/445741953.db2.gz NIDCXJCGWASPEC-SUMDDJOVSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000358721510 445741955 /nfs/dbraw/zinc/74/19/55/445741955.db2.gz NIDCXJCGWASPEC-SUMDDJOVSA-N 2 1 346.475 1.015 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000350255777 445801201 /nfs/dbraw/zinc/80/12/01/445801201.db2.gz UGAGDPJXKHXQEX-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000350255777 445801204 /nfs/dbraw/zinc/80/12/04/445801204.db2.gz UGAGDPJXKHXQEX-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000361540883 445810995 /nfs/dbraw/zinc/81/09/95/445810995.db2.gz YTDJWESOLRGUFJ-NVXWUHKLSA-N 2 1 331.464 1.249 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000361540883 445810999 /nfs/dbraw/zinc/81/09/99/445810999.db2.gz YTDJWESOLRGUFJ-NVXWUHKLSA-N 2 1 331.464 1.249 20 0 EDADMP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000363456284 445812471 /nfs/dbraw/zinc/81/24/71/445812471.db2.gz LJZIFOMMIQZSRU-AZUAARDMSA-N 2 1 331.504 1.988 20 0 EDADMP O=C1N[C@H](Cc2cnc[nH]2)C(=O)N1CCCCC[NH+]1CCCCC1 ZINC000358999408 445881035 /nfs/dbraw/zinc/88/10/35/445881035.db2.gz VROYALYKRMQAEL-OAHLLOKOSA-N 2 1 333.436 1.529 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC1 ZINC000356623357 445893238 /nfs/dbraw/zinc/89/32/38/445893238.db2.gz RRHJBDZDXDJDKW-UHFFFAOYSA-N 2 1 326.529 1.449 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000356623357 445893242 /nfs/dbraw/zinc/89/32/42/445893242.db2.gz RRHJBDZDXDJDKW-UHFFFAOYSA-N 2 1 326.529 1.449 20 0 EDADMP C[NH+]1CCC([C@@H]2CCN(C(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000372885259 445904010 /nfs/dbraw/zinc/90/40/10/445904010.db2.gz VIZPEOMABUDGHY-QGZVFWFLSA-N 2 1 338.496 1.082 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000350986421 445964790 /nfs/dbraw/zinc/96/47/90/445964790.db2.gz JWFQKYYMLMFYDD-GOEBONIOSA-N 2 1 349.479 1.029 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000354175747 445972168 /nfs/dbraw/zinc/97/21/68/445972168.db2.gz BSGQHTWDUXDVOC-HNAYVOBHSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000354175747 445972175 /nfs/dbraw/zinc/97/21/75/445972175.db2.gz BSGQHTWDUXDVOC-HNAYVOBHSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000354175747 445972178 /nfs/dbraw/zinc/97/21/78/445972178.db2.gz BSGQHTWDUXDVOC-HNAYVOBHSA-N 2 1 342.487 1.995 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000364989030 445973780 /nfs/dbraw/zinc/97/37/80/445973780.db2.gz YZCBOSNTBPPKHZ-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000361790726 445948721 /nfs/dbraw/zinc/94/87/21/445948721.db2.gz VZYPHNIWGIRTMB-JKSUJKDBSA-N 2 1 340.512 1.611 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1)[NH+]1CCOCC1 ZINC000365096684 446021203 /nfs/dbraw/zinc/02/12/03/446021203.db2.gz WTJDZRXWPORSBF-SCTDSRPQSA-N 2 1 337.508 1.853 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](Oc3ccncc3)C2)CC1 ZINC000351332619 446034151 /nfs/dbraw/zinc/03/41/51/446034151.db2.gz UBLLWBYWFCAFKS-IBGZPJMESA-N 2 1 332.492 1.951 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCO[C@H]3CCCCO3)C2)CC1 ZINC000373119478 446042748 /nfs/dbraw/zinc/04/27/48/446042748.db2.gz ZAALHAGIASLYEE-MSOLQXFVSA-N 2 1 325.497 1.489 20 0 EDADMP CC[C@@H](C(=O)NC[C@H]1C[NH+](C)CCN1C)[N@@H+](C)Cc1ccccc1 ZINC000354210738 446005819 /nfs/dbraw/zinc/00/58/19/446005819.db2.gz ULHQNBSKLNHJPG-ROUUACIJSA-N 2 1 332.492 1.259 20 0 EDADMP CC[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+](C)Cc1ccccc1 ZINC000354210738 446005826 /nfs/dbraw/zinc/00/58/26/446005826.db2.gz ULHQNBSKLNHJPG-ROUUACIJSA-N 2 1 332.492 1.259 20 0 EDADMP CC[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+](C)Cc1ccccc1 ZINC000354210738 446005831 /nfs/dbraw/zinc/00/58/31/446005831.db2.gz ULHQNBSKLNHJPG-ROUUACIJSA-N 2 1 332.492 1.259 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(F)cc1)C2 ZINC000365082130 446013149 /nfs/dbraw/zinc/01/31/49/446013149.db2.gz HZSXWOUSMVLCMX-WMLDXEAASA-N 2 1 344.434 1.982 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000583575018 326099005 /nfs/dbraw/zinc/09/90/05/326099005.db2.gz PYNTWKFNQKVODL-UHFFFAOYSA-N 2 1 332.408 1.001 20 0 EDADMP C[NH+]1CCN(c2cccc(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)n2)CC1 ZINC000583646516 326111794 /nfs/dbraw/zinc/11/17/94/326111794.db2.gz UYRDKDHIVPBHFC-RDJZCZTQSA-N 2 1 343.475 1.190 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583993617 326180047 /nfs/dbraw/zinc/18/00/47/326180047.db2.gz OABSTFLUPHCYMJ-CEXWTWQISA-N 2 1 342.487 1.752 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351436809 446066138 /nfs/dbraw/zinc/06/61/38/446066138.db2.gz ARACIODCZFOYMZ-INMHGKMJSA-N 2 1 325.497 1.458 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351436809 446066140 /nfs/dbraw/zinc/06/61/40/446066140.db2.gz ARACIODCZFOYMZ-INMHGKMJSA-N 2 1 325.497 1.458 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351436809 446066141 /nfs/dbraw/zinc/06/61/41/446066141.db2.gz ARACIODCZFOYMZ-INMHGKMJSA-N 2 1 325.497 1.458 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351436809 446066143 /nfs/dbraw/zinc/06/61/43/446066143.db2.gz ARACIODCZFOYMZ-INMHGKMJSA-N 2 1 325.497 1.458 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000359236272 446068616 /nfs/dbraw/zinc/06/86/16/446068616.db2.gz ONNLGIDZFARACG-QLFBSQMISA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000359236272 446068620 /nfs/dbraw/zinc/06/86/20/446068620.db2.gz ONNLGIDZFARACG-QLFBSQMISA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000359236272 446068626 /nfs/dbraw/zinc/06/86/26/446068626.db2.gz ONNLGIDZFARACG-QLFBSQMISA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000359236272 446068633 /nfs/dbraw/zinc/06/86/33/446068633.db2.gz ONNLGIDZFARACG-QLFBSQMISA-N 2 1 338.496 1.410 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)[NH+]1CCOCC1 ZINC000366190241 446072666 /nfs/dbraw/zinc/07/26/66/446072666.db2.gz ZTZCUONZYWQQLP-AEFFLSMTSA-N 2 1 338.496 1.080 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)[NH+]1CCOCC1 ZINC000366190241 446072672 /nfs/dbraw/zinc/07/26/72/446072672.db2.gz ZTZCUONZYWQQLP-AEFFLSMTSA-N 2 1 338.496 1.080 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000369336899 446081593 /nfs/dbraw/zinc/08/15/93/446081593.db2.gz YWKICWOJIFMAFV-FZMZJTMJSA-N 2 1 334.395 1.861 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000359249621 446083162 /nfs/dbraw/zinc/08/31/62/446083162.db2.gz IMOCEGFCSHACCR-LSDHHAIUSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000359249621 446083168 /nfs/dbraw/zinc/08/31/68/446083168.db2.gz IMOCEGFCSHACCR-LSDHHAIUSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000359249621 446083170 /nfs/dbraw/zinc/08/31/70/446083170.db2.gz IMOCEGFCSHACCR-LSDHHAIUSA-N 2 1 340.512 1.070 20 0 EDADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@H](O)CN3CCCC3=O)C2)c1 ZINC000365223679 446086809 /nfs/dbraw/zinc/08/68/09/446086809.db2.gz KGXFCKGYJANSNV-CVEARBPZSA-N 2 1 332.448 1.107 20 0 EDADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@H](O)CN3CCCC3=O)C2)c1 ZINC000365223679 446086817 /nfs/dbraw/zinc/08/68/17/446086817.db2.gz KGXFCKGYJANSNV-CVEARBPZSA-N 2 1 332.448 1.107 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351496367 446101458 /nfs/dbraw/zinc/10/14/58/446101458.db2.gz RJYOPRTWBBZJGJ-UOVPBQLFSA-N 2 1 331.460 1.548 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351496367 446101467 /nfs/dbraw/zinc/10/14/67/446101467.db2.gz RJYOPRTWBBZJGJ-UOVPBQLFSA-N 2 1 331.460 1.548 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)C2=O)c1 ZINC000351498392 446103161 /nfs/dbraw/zinc/10/31/61/446103161.db2.gz VPUWSUJRBQMOOB-JUKXBJQTSA-N 2 1 345.443 1.478 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000366257024 446110137 /nfs/dbraw/zinc/11/01/37/446110137.db2.gz RAYIFQIHWRGFTP-WBVHZDCISA-N 2 1 338.496 1.413 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000359273691 446110661 /nfs/dbraw/zinc/11/06/61/446110661.db2.gz NREQNFGWDSFEKV-HNNXBMFYSA-N 2 1 340.512 1.071 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000365266792 446113074 /nfs/dbraw/zinc/11/30/74/446113074.db2.gz LSXYNBYNEXFVFN-QZWWFDLISA-N 2 1 336.476 1.951 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@H](CO)[C@H](C)C2)CC1 ZINC000362062600 446187469 /nfs/dbraw/zinc/18/74/69/446187469.db2.gz FAUFPWIUENUUJQ-ZHALLVOQSA-N 2 1 345.487 1.452 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](CO)[C@H](C)C2)CC1 ZINC000362062600 446187476 /nfs/dbraw/zinc/18/74/76/446187476.db2.gz FAUFPWIUENUUJQ-ZHALLVOQSA-N 2 1 345.487 1.452 20 0 EDADMP CC[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000354417550 446189428 /nfs/dbraw/zinc/18/94/28/446189428.db2.gz CABKLWCILGBNJR-QZTJIDSGSA-N 2 1 333.476 1.686 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369663024 446142970 /nfs/dbraw/zinc/14/29/70/446142970.db2.gz SBFPMVGALRGVNK-GVDBMIGSSA-N 2 1 331.464 1.707 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369663024 446142971 /nfs/dbraw/zinc/14/29/71/446142971.db2.gz SBFPMVGALRGVNK-GVDBMIGSSA-N 2 1 331.464 1.707 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C[NH2+]CC3CC3)[C@@H](C)C2)s1 ZINC000366319540 446147500 /nfs/dbraw/zinc/14/75/00/446147500.db2.gz CDXRJCZSCNEMNU-BLLLJJGKSA-N 2 1 336.505 1.778 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000370233976 446194796 /nfs/dbraw/zinc/19/47/96/446194796.db2.gz VEMKJQXGTGILRI-UAGQMJEPSA-N 2 1 335.496 1.505 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC3(CCC3)C2)C1 ZINC000373404652 446203572 /nfs/dbraw/zinc/20/35/72/446203572.db2.gz LUDNVJIDIAOYFO-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC3(CCC3)C2)C1 ZINC000373404652 446203578 /nfs/dbraw/zinc/20/35/78/446203578.db2.gz LUDNVJIDIAOYFO-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC3(CCC3)C2)C1 ZINC000373404652 446203584 /nfs/dbraw/zinc/20/35/84/446203584.db2.gz LUDNVJIDIAOYFO-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000365628453 446280235 /nfs/dbraw/zinc/28/02/35/446280235.db2.gz VWJUKSNQHBNSHA-KBXCAEBGSA-N 2 1 343.487 1.503 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000365628453 446280238 /nfs/dbraw/zinc/28/02/38/446280238.db2.gz VWJUKSNQHBNSHA-KBXCAEBGSA-N 2 1 343.487 1.503 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000365628453 446280241 /nfs/dbraw/zinc/28/02/41/446280241.db2.gz VWJUKSNQHBNSHA-KBXCAEBGSA-N 2 1 343.487 1.503 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000365628453 446280244 /nfs/dbraw/zinc/28/02/44/446280244.db2.gz VWJUKSNQHBNSHA-KBXCAEBGSA-N 2 1 343.487 1.503 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1[C@H](C)CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC000362307201 446314095 /nfs/dbraw/zinc/31/40/95/446314095.db2.gz YGDWWYHFKBTEKS-HZPDHXFCSA-N 2 1 340.512 1.115 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000362307201 446314098 /nfs/dbraw/zinc/31/40/98/446314098.db2.gz YGDWWYHFKBTEKS-HZPDHXFCSA-N 2 1 340.512 1.115 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000362307201 446314103 /nfs/dbraw/zinc/31/41/03/446314103.db2.gz YGDWWYHFKBTEKS-HZPDHXFCSA-N 2 1 340.512 1.115 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000365719452 446314323 /nfs/dbraw/zinc/31/43/23/446314323.db2.gz SCDOOAWFPTTWDR-JZXOWHBKSA-N 2 1 340.508 1.595 20 0 EDADMP C[C@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCSCC1 ZINC000366722671 446323637 /nfs/dbraw/zinc/32/36/37/446323637.db2.gz VOLHFBMIPCGRST-OAHLLOKOSA-N 2 1 348.516 1.946 20 0 EDADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3n[nH]c(=O)s3)CC2)C[C@H](C)O1 ZINC000373754517 446326466 /nfs/dbraw/zinc/32/64/66/446326466.db2.gz QHDRGSVKORQGTL-STQMWFEESA-N 2 1 340.493 1.955 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370558545 446332341 /nfs/dbraw/zinc/33/23/41/446332341.db2.gz PZHSBOQCFCQORM-IKGGRYGDSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370568526 446335012 /nfs/dbraw/zinc/33/50/12/446335012.db2.gz JGZQKKDWPSTKIP-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000417274133 446337691 /nfs/dbraw/zinc/33/76/91/446337691.db2.gz ZHMXNBQJVIQHMB-CVEARBPZSA-N 2 1 348.491 1.705 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000417274133 446337693 /nfs/dbraw/zinc/33/76/93/446337693.db2.gz ZHMXNBQJVIQHMB-CVEARBPZSA-N 2 1 348.491 1.705 20 0 EDADMP [NH3+][C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000417369912 446350141 /nfs/dbraw/zinc/35/01/41/446350141.db2.gz RYVCPMBZXLLKBZ-BBRMVZONSA-N 2 1 336.505 1.997 20 0 EDADMP COC[C@H]([NH3+])C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000376145243 446353256 /nfs/dbraw/zinc/35/32/56/446353256.db2.gz SODDSYHTLWKTLE-BZSNNMDCSA-N 2 1 331.460 1.616 20 0 EDADMP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417502793 446356438 /nfs/dbraw/zinc/35/64/38/446356438.db2.gz KVBCSYYELRAMFM-SJLPKXTDSA-N 2 1 330.476 1.554 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000370633892 446365345 /nfs/dbraw/zinc/36/53/45/446365345.db2.gz JFPGGONDVUIIJS-ANQUJSFKSA-N 2 1 330.476 1.683 20 0 EDADMP C[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)[N@@H+](C)Cc1ccccc1 ZINC000417592787 446366058 /nfs/dbraw/zinc/36/60/58/446366058.db2.gz UHMZXUQYJWVUJB-TZMCWYRMSA-N 2 1 328.407 1.789 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCC(F)(F)C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000417871033 446375070 /nfs/dbraw/zinc/37/50/70/446375070.db2.gz JDCYQUDRBGOPBB-OCCSQVGLSA-N 2 1 326.391 1.543 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCC(F)(F)C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000417871033 446375073 /nfs/dbraw/zinc/37/50/73/446375073.db2.gz JDCYQUDRBGOPBB-OCCSQVGLSA-N 2 1 326.391 1.543 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418083062 446436467 /nfs/dbraw/zinc/43/64/67/446436467.db2.gz YZCJCAYPZIUIMN-HOCLYGCPSA-N 2 1 336.505 1.641 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418083062 446436473 /nfs/dbraw/zinc/43/64/73/446436473.db2.gz YZCJCAYPZIUIMN-HOCLYGCPSA-N 2 1 336.505 1.641 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)C1CC1 ZINC000418135212 446441861 /nfs/dbraw/zinc/44/18/61/446441861.db2.gz HRRZBRGOTPKYHK-MSOLQXFVSA-N 2 1 346.475 1.185 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000370788035 446443163 /nfs/dbraw/zinc/44/31/63/446443163.db2.gz POVWBCQZXXUNAL-IRXDYDNUSA-N 2 1 348.516 1.505 20 0 EDADMP O=C([C@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1)N1CC[NH2+]CC1 ZINC000420281262 446447963 /nfs/dbraw/zinc/44/79/63/446447963.db2.gz ABYXQOHIQHSNDJ-GJZGRUSLSA-N 2 1 329.435 1.956 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000420282443 446449885 /nfs/dbraw/zinc/44/98/85/446449885.db2.gz MYILLIBIIXSHPC-IIHSZXCVSA-N 2 1 347.507 2.513 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417989592 446408574 /nfs/dbraw/zinc/40/85/74/446408574.db2.gz TYONWTKGYRRYST-DOTOQJQBSA-N 2 1 334.464 1.185 20 0 EDADMP C[C@H]1[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC[N@H+]1C ZINC000418012705 446415567 /nfs/dbraw/zinc/41/55/67/446415567.db2.gz YBBDCOHKVHFLMZ-XOYOTBSWSA-N 2 1 330.476 1.853 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418021820 446418297 /nfs/dbraw/zinc/41/82/97/446418297.db2.gz AIGAGCQPFWKTTG-XWTMOSNGSA-N 2 1 330.476 1.660 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)C2([NH3+])CCCCC2)[C@@H](c2ccccc2)C1 ZINC000370765907 446424773 /nfs/dbraw/zinc/42/47/73/446424773.db2.gz IESJMZKNZTVBCN-GOSISDBHSA-N 2 1 344.503 1.753 20 0 EDADMP Cc1cc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC000418204386 446456849 /nfs/dbraw/zinc/45/68/49/446456849.db2.gz XOXOUCFLJDMMID-INIZCTEOSA-N 2 1 347.463 1.249 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420297244 446460204 /nfs/dbraw/zinc/46/02/04/446460204.db2.gz YHQLOCAEXLYACF-RDJZCZTQSA-N 2 1 339.505 1.507 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420297244 446460208 /nfs/dbraw/zinc/46/02/08/446460208.db2.gz YHQLOCAEXLYACF-RDJZCZTQSA-N 2 1 339.505 1.507 20 0 EDADMP O=C(NCC[NH2+]C1CCCCCC1)NCC[N@H+]1CCCOCC1 ZINC000418225696 446465355 /nfs/dbraw/zinc/46/53/55/446465355.db2.gz NUFFFWDEVTYZBJ-UHFFFAOYSA-N 2 1 326.485 1.320 20 0 EDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Br)cn1 ZINC000420312483 446475326 /nfs/dbraw/zinc/47/53/26/446475326.db2.gz HTJNWTUSRUJMEI-LLVKDONJSA-N 2 1 341.253 1.714 20 0 EDADMP C[C@@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000432545418 446482594 /nfs/dbraw/zinc/48/25/94/446482594.db2.gz ILEFWZUAFPSOSA-VQHPVUNQSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000432545419 446483194 /nfs/dbraw/zinc/48/31/94/446483194.db2.gz ILEFWZUAFPSOSA-YYIAUSFCSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000432545419 446483199 /nfs/dbraw/zinc/48/31/99/446483199.db2.gz ILEFWZUAFPSOSA-YYIAUSFCSA-N 2 1 325.497 1.865 20 0 EDADMP [NH3+][C@@H](CC(=O)N1CCC[N@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000370862166 446486028 /nfs/dbraw/zinc/48/60/28/446486028.db2.gz PQGUNGXUVNUBIF-SFHVURJKSA-N 2 1 331.460 1.790 20 0 EDADMP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323331 446488937 /nfs/dbraw/zinc/48/89/37/446488937.db2.gz GDECBIJPOVQZNE-SJORKVTESA-N 2 1 331.460 1.503 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423363738 446501141 /nfs/dbraw/zinc/50/11/41/446501141.db2.gz VDBOIJKZUIMIHX-HNNXBMFYSA-N 2 1 336.484 1.401 20 0 EDADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418332502 446504157 /nfs/dbraw/zinc/50/41/57/446504157.db2.gz SOFBUSACROJFTF-ZWKOTPCHSA-N 2 1 345.491 1.830 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)NCC2CCCCC2)CC12CCOCC2 ZINC000420334985 446504922 /nfs/dbraw/zinc/50/49/22/446504922.db2.gz UQLCQCKESLSUSH-KRWDZBQOSA-N 2 1 337.508 1.760 20 0 EDADMP COc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420336445 446506323 /nfs/dbraw/zinc/50/63/23/446506323.db2.gz MOXLYYWDXFRYBB-GASCZTMLSA-N 2 1 338.473 1.400 20 0 EDADMP COc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420336445 446506328 /nfs/dbraw/zinc/50/63/28/446506328.db2.gz MOXLYYWDXFRYBB-GASCZTMLSA-N 2 1 338.473 1.400 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000418349751 446508470 /nfs/dbraw/zinc/50/84/70/446508470.db2.gz XXSBTSGGELRZJL-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367129287 446512284 /nfs/dbraw/zinc/51/22/84/446512284.db2.gz PERBKUFZPRAALK-IKGGRYGDSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367129287 446512292 /nfs/dbraw/zinc/51/22/92/446512292.db2.gz PERBKUFZPRAALK-IKGGRYGDSA-N 2 1 340.512 1.515 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000423392020 446514917 /nfs/dbraw/zinc/51/49/17/446514917.db2.gz XGSMGQNCPFVSNG-XHSDSOJGSA-N 2 1 340.512 1.007 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000420343148 446515263 /nfs/dbraw/zinc/51/52/63/446515263.db2.gz RFBMXQLRBKAOBJ-IYBDPMFKSA-N 2 1 344.459 1.883 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)C1 ZINC000423361079 446499392 /nfs/dbraw/zinc/49/93/92/446499392.db2.gz GPPXRMINHRHNJU-CLCXKQKWSA-N 2 1 342.443 1.074 20 0 EDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418487777 446562603 /nfs/dbraw/zinc/56/26/03/446562603.db2.gz JFAFJXHKRGSSIO-QSFKDOLUSA-N 2 1 338.496 1.038 20 0 EDADMP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423527847 446562898 /nfs/dbraw/zinc/56/28/98/446562898.db2.gz WCNLRDBMDRIXMA-JSXRDJHFSA-N 3 1 342.531 1.780 20 0 EDADMP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344766 446517763 /nfs/dbraw/zinc/51/77/63/446517763.db2.gz USJNWFONEPRRTO-SOUVJXGZSA-N 2 1 333.501 1.953 20 0 EDADMP CSc1ccc(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420346197 446518756 /nfs/dbraw/zinc/51/87/56/446518756.db2.gz CKPRPPCFQXWXLO-HNNXBMFYSA-N 2 1 334.489 1.327 20 0 EDADMP CSc1ccc(NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420346197 446518760 /nfs/dbraw/zinc/51/87/60/446518760.db2.gz CKPRPPCFQXWXLO-HNNXBMFYSA-N 2 1 334.489 1.327 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418398161 446527729 /nfs/dbraw/zinc/52/77/29/446527729.db2.gz KGNYVQYGBPHZOD-MSOLQXFVSA-N 2 1 345.491 1.815 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418428804 446540585 /nfs/dbraw/zinc/54/05/85/446540585.db2.gz MYRRSANPCCORDY-HOCLYGCPSA-N 2 1 334.464 1.173 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423449042 446542629 /nfs/dbraw/zinc/54/26/29/446542629.db2.gz VVWBWNVDVBAPSM-GJZGRUSLSA-N 2 1 333.480 1.823 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423449043 446542767 /nfs/dbraw/zinc/54/27/67/446542767.db2.gz VVWBWNVDVBAPSM-HUUCEWRRSA-N 2 1 333.480 1.823 20 0 EDADMP CS(=O)(=O)c1ccc2c(c1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420365071 446544910 /nfs/dbraw/zinc/54/49/10/446544910.db2.gz DMAVUXHLAALYCP-OAHLLOKOSA-N 2 1 336.501 1.880 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420367481 446545552 /nfs/dbraw/zinc/54/55/52/446545552.db2.gz SMRHHODDRVTASY-QGZVFWFLSA-N 2 1 349.475 1.558 20 0 EDADMP CCOCc1ccc(CNC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420368056 446546843 /nfs/dbraw/zinc/54/68/43/446546843.db2.gz TXJWYWWYWXHQQY-QGZVFWFLSA-N 2 1 333.476 1.817 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418450226 446547202 /nfs/dbraw/zinc/54/72/02/446547202.db2.gz LFZQYILCICCLHD-QGZVFWFLSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000453126513 446548139 /nfs/dbraw/zinc/54/81/39/446548139.db2.gz PDDVFPOMDMCEBV-IMFGXOCKSA-N 2 1 340.471 1.880 20 0 EDADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000453126513 446548142 /nfs/dbraw/zinc/54/81/42/446548142.db2.gz PDDVFPOMDMCEBV-IMFGXOCKSA-N 2 1 340.471 1.880 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420378128 446554651 /nfs/dbraw/zinc/55/46/51/446554651.db2.gz WTZUFJRDXHNFPK-HLIPFELVSA-N 2 1 344.503 1.307 20 0 EDADMP [NH3+]CC1(O)CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000420409699 446583150 /nfs/dbraw/zinc/58/31/50/446583150.db2.gz ZCBDKFQVQKPIEQ-IBGZPJMESA-N 2 1 345.487 1.820 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)[N@@H+](C)Cc1ccccc1 ZINC000375166623 446619079 /nfs/dbraw/zinc/61/90/79/446619079.db2.gz KADHQXMCOOQOQC-MRXNPFEDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418547545 446588969 /nfs/dbraw/zinc/58/89/69/446588969.db2.gz JFMHEURDPZKOGZ-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000411548208 446597167 /nfs/dbraw/zinc/59/71/67/446597167.db2.gz DLPYHGJXHZMTOM-YESZJQIVSA-N 2 1 325.497 1.772 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000418566881 446597631 /nfs/dbraw/zinc/59/76/31/446597631.db2.gz GFSIELCLHQKUPD-JFIYKMOQSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000418566881 446597633 /nfs/dbraw/zinc/59/76/33/446597633.db2.gz GFSIELCLHQKUPD-JFIYKMOQSA-N 2 1 330.476 1.900 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418569741 446598074 /nfs/dbraw/zinc/59/80/74/446598074.db2.gz HYFZSVSAOMICDQ-SJLPKXTDSA-N 2 1 330.476 1.820 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418587200 446603863 /nfs/dbraw/zinc/60/38/63/446603863.db2.gz GLNBMOMIRSKEHS-SJLPKXTDSA-N 2 1 330.476 1.554 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418594549 446607274 /nfs/dbraw/zinc/60/72/74/446607274.db2.gz UVBLKNRNBXOETN-NXHRZFHOSA-N 2 1 330.476 1.758 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC[N@H+]1CCOC ZINC000418600449 446609294 /nfs/dbraw/zinc/60/92/94/446609294.db2.gz KVMUCZYBYRSTDX-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418600117 446609809 /nfs/dbraw/zinc/60/98/09/446609809.db2.gz KIWDBTUFPDSIIZ-BPQIPLTHSA-N 2 1 348.491 1.167 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000418654351 446636497 /nfs/dbraw/zinc/63/64/97/446636497.db2.gz PQDGOZYRSAFQDG-RLFYNMQTSA-N 2 1 348.491 1.345 20 0 EDADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000418658144 446637314 /nfs/dbraw/zinc/63/73/14/446637314.db2.gz JCSBGXCWBJRSDI-KVDVXYDOSA-N 2 1 334.508 1.746 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C[C@H](C)[N@@H+]1CCO ZINC000418666711 446642126 /nfs/dbraw/zinc/64/21/26/446642126.db2.gz GLAOSSXMNKKWQK-JZXOWHBKSA-N 2 1 348.491 1.563 20 0 EDADMP O=C(C[C@H]1CCC[NH2+]1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000423717688 446656901 /nfs/dbraw/zinc/65/69/01/446656901.db2.gz AOSHIALXAYHBOD-GOSISDBHSA-N 2 1 346.475 1.275 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1CC ZINC000418732395 446657529 /nfs/dbraw/zinc/65/75/29/446657529.db2.gz JMTOASWWHXFESX-BRWVUGGUSA-N 2 1 340.512 1.646 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1CC ZINC000418732397 446659505 /nfs/dbraw/zinc/65/95/05/446659505.db2.gz JMTOASWWHXFESX-IXDOHACOSA-N 2 1 340.512 1.646 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000368049381 446623213 /nfs/dbraw/zinc/62/32/13/446623213.db2.gz VCMLXSJRBWFMRA-SOUVJXGZSA-N 2 1 325.453 1.768 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000368049381 446623220 /nfs/dbraw/zinc/62/32/20/446623220.db2.gz VCMLXSJRBWFMRA-SOUVJXGZSA-N 2 1 325.453 1.768 20 0 EDADMP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418647365 446632080 /nfs/dbraw/zinc/63/20/80/446632080.db2.gz XWAAKNSPPAZOIH-SJLPKXTDSA-N 2 1 346.475 1.019 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418768902 446687337 /nfs/dbraw/zinc/68/73/37/446687337.db2.gz MYDBPMYYZYWBTR-HOTGVXAUSA-N 2 1 338.496 1.413 20 0 EDADMP CCC[C@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@H+]1CCOC ZINC000418771979 446690015 /nfs/dbraw/zinc/69/00/15/446690015.db2.gz PSDIGZSVLLJPDZ-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP CO[C@@H](C[NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000423815351 446704174 /nfs/dbraw/zinc/70/41/74/446704174.db2.gz WEOYCEQQAGYHGF-LBPRGKRZSA-N 2 1 330.226 1.423 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000423837814 446726703 /nfs/dbraw/zinc/72/67/03/446726703.db2.gz BSRZYPQEDKMSMK-GVDBMIGSSA-N 2 1 335.423 1.094 20 0 EDADMP COCC[C@@]1(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000371271666 446730609 /nfs/dbraw/zinc/73/06/09/446730609.db2.gz UEIQMEXIRCKNSB-LPHOPBHVSA-N 2 1 333.476 1.639 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC4(CCOCC4)C3)cn2)CC1 ZINC000371327243 446776949 /nfs/dbraw/zinc/77/69/49/446776949.db2.gz MMBMTGNQQMUNLQ-UHFFFAOYSA-N 2 1 345.491 1.621 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC4(CCOCC4)C3)cn2)CC1 ZINC000371327243 446776953 /nfs/dbraw/zinc/77/69/53/446776953.db2.gz MMBMTGNQQMUNLQ-UHFFFAOYSA-N 2 1 345.491 1.621 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000375349487 446741407 /nfs/dbraw/zinc/74/14/07/446741407.db2.gz ZDSBQZUTOMFEJH-UHFFFAOYSA-N 2 1 345.487 1.785 20 0 EDADMP C[N@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000376973410 446832558 /nfs/dbraw/zinc/83/25/58/446832558.db2.gz VTUZHHLWGXFDSE-GDBMZVCRSA-N 2 1 330.407 1.613 20 0 EDADMP C[N@@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000376973410 446832562 /nfs/dbraw/zinc/83/25/62/446832562.db2.gz VTUZHHLWGXFDSE-GDBMZVCRSA-N 2 1 330.407 1.613 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000420820830 446842438 /nfs/dbraw/zinc/84/24/38/446842438.db2.gz QGWHVWTZXTZGIQ-INIZCTEOSA-N 2 1 349.479 1.258 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000420768773 446806977 /nfs/dbraw/zinc/80/69/77/446806977.db2.gz WONHWSPNGGUOOW-BZUAXINKSA-N 2 1 326.485 1.221 20 0 EDADMP C[NH+](CCCNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)Cc1ccccc1 ZINC000454209060 446807260 /nfs/dbraw/zinc/80/72/60/446807260.db2.gz IELXLKJVIQHXKN-ZWKOTPCHSA-N 2 1 330.476 1.854 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000424451353 446873446 /nfs/dbraw/zinc/87/34/46/446873446.db2.gz BGCBQXGARKKKRN-INIZCTEOSA-N 2 1 332.448 1.191 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1 ZINC000424451353 446873454 /nfs/dbraw/zinc/87/34/54/446873454.db2.gz BGCBQXGARKKKRN-INIZCTEOSA-N 2 1 332.448 1.191 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000419034529 446876051 /nfs/dbraw/zinc/87/60/51/446876051.db2.gz ZYTKPIVXNAEZRZ-CQSZACIVSA-N 2 1 340.512 1.247 20 0 EDADMP OCC1([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCSCC1 ZINC000420970420 446940736 /nfs/dbraw/zinc/94/07/36/446940736.db2.gz IQDSTFZOGNPHSD-UHFFFAOYSA-N 2 1 336.501 1.867 20 0 EDADMP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442762424 446956371 /nfs/dbraw/zinc/95/63/71/446956371.db2.gz QQZVFAXLNZYIDY-VXGBXAGGSA-N 2 1 325.840 1.634 20 0 EDADMP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442762424 446956378 /nfs/dbraw/zinc/95/63/78/446956378.db2.gz QQZVFAXLNZYIDY-VXGBXAGGSA-N 2 1 325.840 1.634 20 0 EDADMP CSC1(CNC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000454969865 447016114 /nfs/dbraw/zinc/01/61/14/447016114.db2.gz JIXNZHCGGROUML-OKILXGFUSA-N 2 1 328.526 1.548 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000372004357 446981291 /nfs/dbraw/zinc/98/12/91/446981291.db2.gz PUWNYHPOUJCDGL-BBWFWOEESA-N 2 1 340.512 1.659 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000372004357 446981300 /nfs/dbraw/zinc/98/13/00/446981300.db2.gz PUWNYHPOUJCDGL-BBWFWOEESA-N 2 1 340.512 1.659 20 0 EDADMP CN(C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000454864963 446989659 /nfs/dbraw/zinc/98/96/59/446989659.db2.gz RMRIPPKMNNBANN-ULQDDVLXSA-N 2 1 336.480 1.118 20 0 EDADMP CCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000375784082 447044902 /nfs/dbraw/zinc/04/49/02/447044902.db2.gz AWNHYZCOFMTTSS-GOEBONIOSA-N 2 1 333.480 1.957 20 0 EDADMP COCC[NH+](CCOC)C1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000375795327 447055988 /nfs/dbraw/zinc/05/59/88/447055988.db2.gz XADQYQNJAUTXHL-PMACEKPBSA-N 2 1 348.487 1.704 20 0 EDADMP Cc1cc(NCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n2ncnc2n1 ZINC000375851130 447098807 /nfs/dbraw/zinc/09/88/07/447098807.db2.gz KSKPQTWANOJHIA-ZNMIVQPWSA-N 2 1 329.452 1.307 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000368846439 447154636 /nfs/dbraw/zinc/15/46/36/447154636.db2.gz QUFVCHAWLFDTGA-GXTWGEPZSA-N 2 1 342.399 1.852 20 0 EDADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000425421399 447155647 /nfs/dbraw/zinc/15/56/47/447155647.db2.gz NVEYVMBZIUETOF-ZACQAIPSSA-N 2 1 336.524 1.344 20 0 EDADMP C[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000425421399 447155655 /nfs/dbraw/zinc/15/56/55/447155655.db2.gz NVEYVMBZIUETOF-ZACQAIPSSA-N 2 1 336.524 1.344 20 0 EDADMP CC(C)[NH+](CCNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)C(C)C ZINC000419411201 447160102 /nfs/dbraw/zinc/16/01/02/447160102.db2.gz HBBLIBFYOWXVQV-CVEARBPZSA-N 2 1 328.501 1.202 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000425468997 447178624 /nfs/dbraw/zinc/17/86/24/447178624.db2.gz DZCBURMGPHHSSX-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@@H]2[C@H]1c1ccccc1 ZINC000375967683 447182333 /nfs/dbraw/zinc/18/23/33/447182333.db2.gz DUSKHIHPEXZBBL-VXIBKDFQSA-N 2 1 329.444 1.126 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CCC[N@H+]1C ZINC000445925591 447208768 /nfs/dbraw/zinc/20/87/68/447208768.db2.gz OLWVUIRPGQPUNW-ZBFHGGJFSA-N 2 1 346.475 1.328 20 0 EDADMP C[C@H](CCNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+]1CCCCC1 ZINC000419484637 447214949 /nfs/dbraw/zinc/21/49/49/447214949.db2.gz XFRGJCSZRGYVHU-ZACQAIPSSA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC000426468644 447450001 /nfs/dbraw/zinc/45/00/01/447450001.db2.gz KXSSVHHRLZDGTJ-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC000426468644 447450007 /nfs/dbraw/zinc/45/00/07/447450007.db2.gz KXSSVHHRLZDGTJ-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP COC[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]C1 ZINC000379667135 447454380 /nfs/dbraw/zinc/45/43/80/447454380.db2.gz YNRPNGJNEQODCO-QRFRQXIXSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390902441 447505057 /nfs/dbraw/zinc/50/50/57/447505057.db2.gz VNHJYWPVPLARNK-CRAIPNDOSA-N 2 1 331.460 1.534 20 0 EDADMP O=C(C[C@@H]1C[NH2+]CCO1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390991642 447508170 /nfs/dbraw/zinc/50/81/70/447508170.db2.gz MTEHPEKXQJHODO-XVLXNVKGSA-N 2 1 343.471 1.677 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416203732 447536080 /nfs/dbraw/zinc/53/60/80/447536080.db2.gz YRSCKRCMNYFROR-MJGOQNOKSA-N 2 1 327.472 1.987 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416203732 447536084 /nfs/dbraw/zinc/53/60/84/447536084.db2.gz YRSCKRCMNYFROR-MJGOQNOKSA-N 2 1 327.472 1.987 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416203732 447536088 /nfs/dbraw/zinc/53/60/88/447536088.db2.gz YRSCKRCMNYFROR-MJGOQNOKSA-N 2 1 327.472 1.987 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416210143 447539285 /nfs/dbraw/zinc/53/92/85/447539285.db2.gz OMVKUHRKLPCYDT-MJGOQNOKSA-N 2 1 346.519 1.822 20 0 EDADMP COCCOC[C@@H](O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450640590 447545799 /nfs/dbraw/zinc/54/57/99/447545799.db2.gz MVNCCQRNQFHQSO-SFHVURJKSA-N 2 1 337.464 1.254 20 0 EDADMP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000416245974 447548972 /nfs/dbraw/zinc/54/89/72/447548972.db2.gz YYMXCAVBKWPPIO-ZWKOTPCHSA-N 2 1 333.476 1.642 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000459060064 447557659 /nfs/dbraw/zinc/55/76/59/447557659.db2.gz OCQCHJFBAUDHMC-OOKSDGMUSA-N 2 1 334.508 1.985 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000459060064 447557661 /nfs/dbraw/zinc/55/76/61/447557661.db2.gz OCQCHJFBAUDHMC-OOKSDGMUSA-N 2 1 334.508 1.985 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000459060064 447557664 /nfs/dbraw/zinc/55/76/64/447557664.db2.gz OCQCHJFBAUDHMC-OOKSDGMUSA-N 2 1 334.508 1.985 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000457820273 447640220 /nfs/dbraw/zinc/64/02/20/447640220.db2.gz VFXPUAAOWRYVMQ-HOTGVXAUSA-N 2 1 328.501 1.109 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000457823492 447641647 /nfs/dbraw/zinc/64/16/47/447641647.db2.gz XRPWQTOGMGEFLZ-HOTGVXAUSA-N 2 1 328.501 1.109 20 0 EDADMP CC(C)(CC[NH3+])NC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000422558225 447641944 /nfs/dbraw/zinc/64/19/44/447641944.db2.gz NIJOPXSJTAQDQE-HNNXBMFYSA-N 2 1 347.463 1.385 20 0 EDADMP CC(C)(CC[NH3+])NC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000422558225 447641948 /nfs/dbraw/zinc/64/19/48/447641948.db2.gz NIJOPXSJTAQDQE-HNNXBMFYSA-N 2 1 347.463 1.385 20 0 EDADMP CCOC(=O)c1c[nH+]c2cc3c(cc2c1N1CC[C@H](C[NH3+])C1)OCO3 ZINC000420164666 447648714 /nfs/dbraw/zinc/64/87/14/447648714.db2.gz FYEZMVQPWXZDRD-LLVKDONJSA-N 2 1 343.383 1.925 20 0 EDADMP CN1CC[NH+](CC2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)CC1 ZINC000427466982 447602177 /nfs/dbraw/zinc/60/21/77/447602177.db2.gz YFSGAFIHACJUNZ-GOSISDBHSA-N 2 1 348.535 1.489 20 0 EDADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420117566 447612856 /nfs/dbraw/zinc/61/28/56/447612856.db2.gz HSXRPMJJVYXCFP-RHSMWYFYSA-N 2 1 346.475 1.121 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420117566 447612860 /nfs/dbraw/zinc/61/28/60/447612860.db2.gz HSXRPMJJVYXCFP-RHSMWYFYSA-N 2 1 346.475 1.121 20 0 EDADMP O=C(NC1CC[NH+](CC2CC2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000457864446 447653074 /nfs/dbraw/zinc/65/30/74/447653074.db2.gz UCZAWAMHTLMFOV-QGZVFWFLSA-N 2 1 338.496 1.007 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000416915787 447707779 /nfs/dbraw/zinc/70/77/79/447707779.db2.gz HHQQTDPFKNBIBN-DGKWVBSXSA-N 2 1 326.485 1.443 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000416915787 447707785 /nfs/dbraw/zinc/70/77/85/447707785.db2.gz HHQQTDPFKNBIBN-DGKWVBSXSA-N 2 1 326.485 1.443 20 0 EDADMP COc1ccccc1CN(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422632980 447680640 /nfs/dbraw/zinc/68/06/40/447680640.db2.gz HORKEKBJUIFKAU-ZOBUZTSGSA-N 2 1 333.476 1.959 20 0 EDADMP COc1ccccc1CN(C)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422632980 447680645 /nfs/dbraw/zinc/68/06/45/447680645.db2.gz HORKEKBJUIFKAU-ZOBUZTSGSA-N 2 1 333.476 1.959 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C[C@H]1C[NH3+] ZINC000422641658 447685552 /nfs/dbraw/zinc/68/55/52/447685552.db2.gz YHVUPUDGCWBUSU-HLLBOEOZSA-N 2 1 346.475 1.708 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000457982893 447690040 /nfs/dbraw/zinc/69/00/40/447690040.db2.gz KRQGPBKMNXELHN-SFHVURJKSA-N 2 1 338.496 1.225 20 0 EDADMP C[NH2+]CC1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000416919657 447709940 /nfs/dbraw/zinc/70/99/40/447709940.db2.gz LNIVSWPHUWRASR-HUUCEWRRSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000416923934 447710965 /nfs/dbraw/zinc/71/09/65/447710965.db2.gz QKIIPFQMDFZAJQ-OWCLPIDISA-N 2 1 340.512 1.645 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000416923934 447710970 /nfs/dbraw/zinc/71/09/70/447710970.db2.gz QKIIPFQMDFZAJQ-OWCLPIDISA-N 2 1 340.512 1.645 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C[C@H](C)O1 ZINC000416928136 447712871 /nfs/dbraw/zinc/71/28/71/447712871.db2.gz XPLWTQSISLKQDY-APIJFGDWSA-N 2 1 326.485 1.171 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C[C@H](C)O1 ZINC000416928136 447712873 /nfs/dbraw/zinc/71/28/73/447712873.db2.gz XPLWTQSISLKQDY-APIJFGDWSA-N 2 1 326.485 1.171 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)N1CC[NH+](C)CC1 ZINC000416953494 447725288 /nfs/dbraw/zinc/72/52/88/447725288.db2.gz KOMKMKUNLBQXTP-ULQDDVLXSA-N 2 1 339.528 1.027 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cn1ccnn1 ZINC000459695444 447741952 /nfs/dbraw/zinc/74/19/52/447741952.db2.gz KRCCFYNUYTZDGF-WJFTUGDTSA-N 2 1 341.459 1.139 20 0 EDADMP CN(c1ccccc1C[N@H+]1CCC[C@@](O)(CO)C1)C1CC[NH+](C)CC1 ZINC000459713255 447749855 /nfs/dbraw/zinc/74/98/55/447749855.db2.gz KSSKTEQOFHWZMA-FQEVSTJZSA-N 2 1 347.503 1.536 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496291736 447753119 /nfs/dbraw/zinc/75/31/19/447753119.db2.gz GYMQFFBPBFREPX-KKUMJFAQSA-N 2 1 329.485 1.677 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000422825044 447761237 /nfs/dbraw/zinc/76/12/37/447761237.db2.gz PAFNUTBARFGNMI-CGTJXYLNSA-N 2 1 333.476 1.780 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422825044 447761242 /nfs/dbraw/zinc/76/12/42/447761242.db2.gz PAFNUTBARFGNMI-CGTJXYLNSA-N 2 1 333.476 1.780 20 0 EDADMP CC[C@@H](NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422827050 447761735 /nfs/dbraw/zinc/76/17/35/447761735.db2.gz MOOYTWCORUZGGI-SJORKVTESA-N 2 1 332.496 1.109 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C[C@H](O)CN(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000452110808 447816625 /nfs/dbraw/zinc/81/66/25/447816625.db2.gz AMGZVONUFGOIIZ-BWTSREIZSA-N 2 1 340.556 1.176 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C[C@@H](O)CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000452110808 447816627 /nfs/dbraw/zinc/81/66/27/447816627.db2.gz AMGZVONUFGOIIZ-BWTSREIZSA-N 2 1 340.556 1.176 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C[C@@H](O)CN(C)[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000452110808 447816629 /nfs/dbraw/zinc/81/66/29/447816629.db2.gz AMGZVONUFGOIIZ-BWTSREIZSA-N 2 1 340.556 1.176 20 0 EDADMP CC(C)N1CC[C@H]([N@H+](C)C[C@@H](O)CN(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000452110808 447816632 /nfs/dbraw/zinc/81/66/32/447816632.db2.gz AMGZVONUFGOIIZ-BWTSREIZSA-N 2 1 340.556 1.176 20 0 EDADMP CC(C)N1CC[C@H]([N@@H+](C)C[C@@H](O)CN(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000452110808 447816634 /nfs/dbraw/zinc/81/66/34/447816634.db2.gz AMGZVONUFGOIIZ-BWTSREIZSA-N 2 1 340.556 1.176 20 0 EDADMP CC(C)N1CC[C@H]([NH+](C)C[C@@H](O)CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000452110808 447816635 /nfs/dbraw/zinc/81/66/35/447816635.db2.gz AMGZVONUFGOIIZ-BWTSREIZSA-N 2 1 340.556 1.176 20 0 EDADMP CC(C)N1CC[C@H]([NH+](C)C[C@@H](O)CN(C)[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000452110808 447816637 /nfs/dbraw/zinc/81/66/37/447816637.db2.gz AMGZVONUFGOIIZ-BWTSREIZSA-N 2 1 340.556 1.176 20 0 EDADMP CC(C)N1CC[C@@H]([N@H+](C)C[C@H](O)CN(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000452110808 447816638 /nfs/dbraw/zinc/81/66/38/447816638.db2.gz AMGZVONUFGOIIZ-BWTSREIZSA-N 2 1 340.556 1.176 20 0 EDADMP CC(C)N1CC[C@@H]([N@@H+](C)C[C@H](O)CN(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000452110808 447816640 /nfs/dbraw/zinc/81/66/40/447816640.db2.gz AMGZVONUFGOIIZ-BWTSREIZSA-N 2 1 340.556 1.176 20 0 EDADMP CC(C)N1CC[C@@H]([NH+](C)C[C@H](O)CN(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000452110808 447816641 /nfs/dbraw/zinc/81/66/41/447816641.db2.gz AMGZVONUFGOIIZ-BWTSREIZSA-N 2 1 340.556 1.176 20 0 EDADMP CC(C)N1CC[C@@H]([NH+](C)C[C@H](O)CN(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000452110808 447816643 /nfs/dbraw/zinc/81/66/43/447816643.db2.gz AMGZVONUFGOIIZ-BWTSREIZSA-N 2 1 340.556 1.176 20 0 EDADMP C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000422914198 447771731 /nfs/dbraw/zinc/77/17/31/447771731.db2.gz SCPQZTJACXYQEE-YJBOKZPZSA-N 2 1 332.492 1.456 20 0 EDADMP COc1ccc([C@H](NC[C@H]2C[N@@H+](C)CCN2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422914790 447771778 /nfs/dbraw/zinc/77/17/78/447771778.db2.gz VZVBBTRHYCHYKK-UHOSZYNNSA-N 2 1 332.492 1.324 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000430553640 447776886 /nfs/dbraw/zinc/77/68/86/447776886.db2.gz UJYHFLHEKFSPEL-QAPCUYQASA-N 2 1 333.476 1.899 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000430553640 447776889 /nfs/dbraw/zinc/77/68/89/447776889.db2.gz UJYHFLHEKFSPEL-QAPCUYQASA-N 2 1 333.476 1.899 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000430565196 447780874 /nfs/dbraw/zinc/78/08/74/447780874.db2.gz OSTPDHXQSRFOLV-INIZCTEOSA-N 2 1 334.464 1.708 20 0 EDADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC1 ZINC000430579378 447781751 /nfs/dbraw/zinc/78/17/51/447781751.db2.gz GAAXOOVYSMSFKO-UHFFFAOYSA-N 2 1 346.475 1.648 20 0 EDADMP Cc1cc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)n(-c2ccc(F)cc2)n1 ZINC000430595412 447782513 /nfs/dbraw/zinc/78/25/13/447782513.db2.gz UPALJCKOHMEVFI-UHFFFAOYSA-N 2 1 345.422 1.929 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)C[C@@H]1C ZINC000462614340 447800150 /nfs/dbraw/zinc/80/01/50/447800150.db2.gz GKMXSDOUTLHIQX-OWCLPIDISA-N 2 1 328.501 1.203 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000462614340 447800151 /nfs/dbraw/zinc/80/01/51/447800151.db2.gz GKMXSDOUTLHIQX-OWCLPIDISA-N 2 1 328.501 1.203 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000462614340 447800153 /nfs/dbraw/zinc/80/01/53/447800153.db2.gz GKMXSDOUTLHIQX-OWCLPIDISA-N 2 1 328.501 1.203 20 0 EDADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1)N1CCCCC1 ZINC000423098820 447804333 /nfs/dbraw/zinc/80/43/33/447804333.db2.gz SMVSSKCMZAKSLU-RHQZKXFESA-N 2 1 349.519 1.914 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000487946696 447838645 /nfs/dbraw/zinc/83/86/45/447838645.db2.gz BWIOHRQECCAWPM-JYYAWHABSA-N 2 1 333.480 1.117 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000487946696 447838646 /nfs/dbraw/zinc/83/86/46/447838646.db2.gz BWIOHRQECCAWPM-JYYAWHABSA-N 2 1 333.480 1.117 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000487946696 447838647 /nfs/dbraw/zinc/83/86/47/447838647.db2.gz BWIOHRQECCAWPM-JYYAWHABSA-N 2 1 333.480 1.117 20 0 EDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496663975 447843955 /nfs/dbraw/zinc/84/39/55/447843955.db2.gz YBIWNVWURWFVBI-YOEHRIQHSA-N 2 1 329.485 1.536 20 0 EDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496663975 447843956 /nfs/dbraw/zinc/84/39/56/447843956.db2.gz YBIWNVWURWFVBI-YOEHRIQHSA-N 2 1 329.485 1.536 20 0 EDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496663975 447843957 /nfs/dbraw/zinc/84/39/57/447843957.db2.gz YBIWNVWURWFVBI-YOEHRIQHSA-N 2 1 329.485 1.536 20 0 EDADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496700892 447851642 /nfs/dbraw/zinc/85/16/42/447851642.db2.gz LPOAOIDSHHIAFP-SOUVJXGZSA-N 2 1 329.485 1.677 20 0 EDADMP C[C@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000575985953 447944352 /nfs/dbraw/zinc/94/43/52/447944352.db2.gz HWVGTVUEAHFJQH-CRAIPNDOSA-N 2 1 346.475 1.222 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000530818998 447964948 /nfs/dbraw/zinc/96/49/48/447964948.db2.gz CHSLXRAQQNYRFP-QUCCMNQESA-N 2 1 345.487 1.614 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530818998 447964953 /nfs/dbraw/zinc/96/49/53/447964953.db2.gz CHSLXRAQQNYRFP-QUCCMNQESA-N 2 1 345.487 1.614 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530818998 447964960 /nfs/dbraw/zinc/96/49/60/447964960.db2.gz CHSLXRAQQNYRFP-QUCCMNQESA-N 2 1 345.487 1.614 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000524300519 447925486 /nfs/dbraw/zinc/92/54/86/447925486.db2.gz VMYXDFULSQGUBQ-IAGOWNOFSA-N 2 1 330.476 1.265 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000524300519 447925489 /nfs/dbraw/zinc/92/54/89/447925489.db2.gz VMYXDFULSQGUBQ-IAGOWNOFSA-N 2 1 330.476 1.265 20 0 EDADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000524639910 447937808 /nfs/dbraw/zinc/93/78/08/447937808.db2.gz YYBCVQKXLZCFGP-FUHWJXTLSA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000524639910 447937809 /nfs/dbraw/zinc/93/78/09/447937809.db2.gz YYBCVQKXLZCFGP-FUHWJXTLSA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000524639910 447937810 /nfs/dbraw/zinc/93/78/10/447937810.db2.gz YYBCVQKXLZCFGP-FUHWJXTLSA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000524639910 447937812 /nfs/dbraw/zinc/93/78/12/447937812.db2.gz YYBCVQKXLZCFGP-FUHWJXTLSA-N 2 1 333.476 1.732 20 0 EDADMP CC1(C)C[NH+](CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000553222975 447978773 /nfs/dbraw/zinc/97/87/73/447978773.db2.gz QBSALUMVHUSIFQ-GOSISDBHSA-N 2 1 345.487 1.601 20 0 EDADMP CC1(C)C[NH+](CC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000553222975 447978779 /nfs/dbraw/zinc/97/87/79/447978779.db2.gz QBSALUMVHUSIFQ-GOSISDBHSA-N 2 1 345.487 1.601 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000553429269 447993364 /nfs/dbraw/zinc/99/33/64/447993364.db2.gz WDFVBQPWBGZGEW-MRXNPFEDSA-N 2 1 345.487 1.601 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCC2=CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000570382553 447998431 /nfs/dbraw/zinc/99/84/31/447998431.db2.gz PAWKPXRSRAXVEA-MAUKXSAKSA-N 2 1 328.460 1.868 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576290984 448021435 /nfs/dbraw/zinc/02/14/35/448021435.db2.gz VXNZUFZRSGRKML-MOPGFXCFSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000497286431 448040779 /nfs/dbraw/zinc/04/07/79/448040779.db2.gz XNOHHBMYRMBVOE-CKEIUWERSA-N 2 1 327.469 1.431 20 0 EDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000497286431 448040783 /nfs/dbraw/zinc/04/07/83/448040783.db2.gz XNOHHBMYRMBVOE-CKEIUWERSA-N 2 1 327.469 1.431 20 0 EDADMP [NH3+]Cc1nc(-c2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)n[nH]1 ZINC000576397910 448044695 /nfs/dbraw/zinc/04/46/95/448044695.db2.gz ZOIZBFWTQIIUGG-UHFFFAOYSA-N 2 1 340.431 1.743 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@]3(C)CCO[C@@H]3C)CC2)CC1 ZINC000576411001 448049085 /nfs/dbraw/zinc/04/90/85/448049085.db2.gz QKVKSPBVCFFWGU-BEFAXECRSA-N 2 1 337.508 1.866 20 0 EDADMP CN(C)c1cc(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000531366699 448071896 /nfs/dbraw/zinc/07/18/96/448071896.db2.gz FPOIAHZEVMXZKN-IBGZPJMESA-N 2 1 340.427 1.723 20 0 EDADMP CN(C)c1cc(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000531366699 448071898 /nfs/dbraw/zinc/07/18/98/448071898.db2.gz FPOIAHZEVMXZKN-IBGZPJMESA-N 2 1 340.427 1.723 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000570863140 448077420 /nfs/dbraw/zinc/07/74/20/448077420.db2.gz WLGSOYPEKPDQEO-CALCHBBNSA-N 2 1 349.523 1.933 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000531482904 448091566 /nfs/dbraw/zinc/09/15/66/448091566.db2.gz QZYPUDWLBNSNIF-WRWLIDTKSA-N 2 1 343.471 1.365 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000531482904 448091567 /nfs/dbraw/zinc/09/15/67/448091567.db2.gz QZYPUDWLBNSNIF-WRWLIDTKSA-N 2 1 343.471 1.365 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000531482904 448091568 /nfs/dbraw/zinc/09/15/68/448091568.db2.gz QZYPUDWLBNSNIF-WRWLIDTKSA-N 2 1 343.471 1.365 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000502755088 448104813 /nfs/dbraw/zinc/10/48/13/448104813.db2.gz DYAPZVYOQWLEMV-PVAVHDDUSA-N 2 1 338.496 1.364 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000502754597 448105129 /nfs/dbraw/zinc/10/51/29/448105129.db2.gz BYJDWCXPWNHZOU-QAETUUGQSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000576647849 448106158 /nfs/dbraw/zinc/10/61/58/448106158.db2.gz HFNINJUCKZDYSP-PBHICJAKSA-N 2 1 337.533 1.971 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000571075190 448107079 /nfs/dbraw/zinc/10/70/79/448107079.db2.gz OWUHOPZLRPUZNB-WMZOPIPTSA-N 2 1 349.475 1.706 20 0 EDADMP C[NH+](C)[C@]1(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CCSC1 ZINC000497026238 448134661 /nfs/dbraw/zinc/13/46/61/448134661.db2.gz DBHLHTIQOFBIRH-HNNXBMFYSA-N 2 1 345.513 1.062 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000576772736 448137345 /nfs/dbraw/zinc/13/73/45/448137345.db2.gz SNHUKIXTAPEFCQ-CWFSZBLJSA-N 2 1 329.488 1.478 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000576772736 448137348 /nfs/dbraw/zinc/13/73/48/448137348.db2.gz SNHUKIXTAPEFCQ-CWFSZBLJSA-N 2 1 329.488 1.478 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000571702125 448193400 /nfs/dbraw/zinc/19/34/00/448193400.db2.gz DCHZZLQMYSTNKH-ROUUACIJSA-N 2 1 330.476 1.697 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000576898596 448166325 /nfs/dbraw/zinc/16/63/25/448166325.db2.gz IYPLGVTZWWAMSE-ROUUACIJSA-N 2 1 332.492 1.432 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)O1 ZINC000527542917 448258452 /nfs/dbraw/zinc/25/84/52/448258452.db2.gz IIKIIRYYWYUJSR-BHIYHBOVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)O1 ZINC000527542917 448258455 /nfs/dbraw/zinc/25/84/55/448258455.db2.gz IIKIIRYYWYUJSR-BHIYHBOVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000527542917 448258461 /nfs/dbraw/zinc/25/84/61/448258461.db2.gz IIKIIRYYWYUJSR-BHIYHBOVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)O1 ZINC000527542917 448258466 /nfs/dbraw/zinc/25/84/66/448258466.db2.gz IIKIIRYYWYUJSR-BHIYHBOVSA-N 2 1 345.487 1.734 20 0 EDADMP O=C(NCCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532438154 448260178 /nfs/dbraw/zinc/26/01/78/448260178.db2.gz MPLHIUQLFVAKRB-IAGOWNOFSA-N 2 1 338.496 1.415 20 0 EDADMP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000577520656 448320775 /nfs/dbraw/zinc/32/07/75/448320775.db2.gz IUIGIUZVYRDZES-ZACQAIPSSA-N 2 1 343.537 1.653 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000532602357 448279452 /nfs/dbraw/zinc/27/94/52/448279452.db2.gz JLKANEMBYZEFHA-INIZCTEOSA-N 2 1 340.512 1.110 20 0 EDADMP C[C@H](NC(=O)N(C)C1CC([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572134898 448299138 /nfs/dbraw/zinc/29/91/38/448299138.db2.gz HFTZJCLAIJWSNK-IWCVFHTOSA-N 2 1 346.475 1.407 20 0 EDADMP C[C@H](NC(=O)N(C)C1CC([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572134898 448299147 /nfs/dbraw/zinc/29/91/47/448299147.db2.gz HFTZJCLAIJWSNK-IWCVFHTOSA-N 2 1 346.475 1.407 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527796988 448363290 /nfs/dbraw/zinc/36/32/90/448363290.db2.gz BWFXSCPUBCTQPN-QGZVFWFLSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H]([NH3+])c1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000566157017 448398165 /nfs/dbraw/zinc/39/81/65/448398165.db2.gz BNEFOUYBENYOIZ-XJKSGUPXSA-N 2 1 332.448 1.024 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)CO[C@H]1CCCc2ccccc21 ZINC000566232810 448423520 /nfs/dbraw/zinc/42/35/20/448423520.db2.gz CWGQCVHITKXZCS-GGPKGHCWSA-N 2 1 348.487 1.488 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)N(C)Cc2c[nH]cn2)cc1 ZINC000528179131 448452753 /nfs/dbraw/zinc/45/27/53/448452753.db2.gz SKELNOZDPBFKMY-INIZCTEOSA-N 2 1 343.431 1.834 20 0 EDADMP COc1ccc(CN2CC[C@H]2CNC(=O)N(C)Cc2cnc[nH]2)cc1 ZINC000528179131 448452760 /nfs/dbraw/zinc/45/27/60/448452760.db2.gz SKELNOZDPBFKMY-INIZCTEOSA-N 2 1 343.431 1.834 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC000578075292 448456278 /nfs/dbraw/zinc/45/62/78/448456278.db2.gz VLLAIRAKQHTGOO-BHIYHBOVSA-N 2 1 338.455 1.968 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC000578075292 448456285 /nfs/dbraw/zinc/45/62/85/448456285.db2.gz VLLAIRAKQHTGOO-BHIYHBOVSA-N 2 1 338.455 1.968 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1CC(C)(C)O ZINC000566448825 448476518 /nfs/dbraw/zinc/47/65/18/448476518.db2.gz DUTAXVDEJYVFBO-MRXNPFEDSA-N 2 1 347.503 1.708 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000591765617 448486152 /nfs/dbraw/zinc/48/61/52/448486152.db2.gz HJKOACITRDGZHC-SQNIBIBYSA-N 2 1 334.460 1.801 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000591765617 448486155 /nfs/dbraw/zinc/48/61/55/448486155.db2.gz HJKOACITRDGZHC-SQNIBIBYSA-N 2 1 334.460 1.801 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000572999101 448519058 /nfs/dbraw/zinc/51/90/58/448519058.db2.gz FEJXIUGKSRDRKH-WNRNVDISSA-N 2 1 329.444 1.096 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000517232337 448557207 /nfs/dbraw/zinc/55/72/07/448557207.db2.gz NLAXTZUEWJSCSJ-LSDHHAIUSA-N 2 1 338.521 1.526 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CC[NH2+][C@@H]3C)CC2)cc1 ZINC000573242995 448578690 /nfs/dbraw/zinc/57/86/90/448578690.db2.gz QFZQBVRXCRDAKN-QAPCUYQASA-N 2 1 331.460 1.728 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000573125730 448551946 /nfs/dbraw/zinc/55/19/46/448551946.db2.gz SNTYOPKOFARNEQ-DOTOQJQBSA-N 2 1 334.464 1.107 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)CC2 ZINC000573125730 448551953 /nfs/dbraw/zinc/55/19/53/448551953.db2.gz SNTYOPKOFARNEQ-DOTOQJQBSA-N 2 1 334.464 1.107 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000539438910 448612616 /nfs/dbraw/zinc/61/26/16/448612616.db2.gz PRCDJRARCRMMOY-SFHVURJKSA-N 2 1 328.460 1.672 20 0 EDADMP C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000539438910 448612619 /nfs/dbraw/zinc/61/26/19/448612619.db2.gz PRCDJRARCRMMOY-SFHVURJKSA-N 2 1 328.460 1.672 20 0 EDADMP C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000539438910 448612622 /nfs/dbraw/zinc/61/26/22/448612622.db2.gz PRCDJRARCRMMOY-SFHVURJKSA-N 2 1 328.460 1.672 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000573262363 448582499 /nfs/dbraw/zinc/58/24/99/448582499.db2.gz CLWWPBAGOJERJZ-UHFFFAOYSA-N 2 1 341.402 1.762 20 0 EDADMP CC[C@@H](NC(=O)N(C)CCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573308575 448592449 /nfs/dbraw/zinc/59/24/49/448592449.db2.gz WBBPMUREJKNAOR-QZTJIDSGSA-N 2 1 348.491 1.656 20 0 EDADMP CC[C@@H](NC(=O)N(C)CCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573308575 448592457 /nfs/dbraw/zinc/59/24/57/448592457.db2.gz WBBPMUREJKNAOR-QZTJIDSGSA-N 2 1 348.491 1.656 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)ccc1C[NH+](C)C ZINC000573543263 448653361 /nfs/dbraw/zinc/65/33/61/448653361.db2.gz HTDXATPPYCYQEH-HNNXBMFYSA-N 2 1 346.475 1.453 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(=O)[nH]c3)CC2)CC1 ZINC000567289488 448659057 /nfs/dbraw/zinc/65/90/57/448659057.db2.gz LHGQAQXTOUAVSJ-UHFFFAOYSA-N 2 1 332.448 1.922 20 0 EDADMP CCCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000592024676 448633609 /nfs/dbraw/zinc/63/36/09/448633609.db2.gz TYZNXGRJRWNCDF-HNNXBMFYSA-N 2 1 342.553 1.940 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000518537047 448689864 /nfs/dbraw/zinc/68/98/64/448689864.db2.gz SRDPSZYPEBOSDC-QZTJIDSGSA-N 2 1 330.476 1.894 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000592091864 448676153 /nfs/dbraw/zinc/67/61/53/448676153.db2.gz KNUIINKOQVKVSU-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000518984736 448728349 /nfs/dbraw/zinc/72/83/49/448728349.db2.gz FPCCIRNHTAEGMA-DOTOQJQBSA-N 2 1 325.497 1.853 20 0 EDADMP Cc1ccc(NC(=O)CC[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)nc1 ZINC000579231606 448748076 /nfs/dbraw/zinc/74/80/76/448748076.db2.gz MLSMTCYRUZJXJT-MRXNPFEDSA-N 2 1 334.464 1.545 20 0 EDADMP CC[NH+]1CCN(c2cccc(NC(=O)Cn3c[nH+]cc3C)c2)CC1 ZINC000529056448 448748273 /nfs/dbraw/zinc/74/82/73/448748273.db2.gz NEDPSPRAYWXRLZ-UHFFFAOYSA-N 2 1 327.432 1.972 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000579333253 448769014 /nfs/dbraw/zinc/76/90/14/448769014.db2.gz WHWPMVBHMKZJGV-CVEARBPZSA-N 2 1 338.496 1.258 20 0 EDADMP O=C(CC[NH2+]C[C@H](O)C[NH+]1CCCC1)Nc1cc(F)cc(F)c1 ZINC000579353825 448774979 /nfs/dbraw/zinc/77/49/79/448774979.db2.gz KLDOMIBSVBGBHK-HNNXBMFYSA-N 2 1 327.375 1.340 20 0 EDADMP COc1cc(NC(=O)C[N@H+]2CC[C@@H](C)C2)ccc1OCC[NH+](C)C ZINC000568107192 448818509 /nfs/dbraw/zinc/81/85/09/448818509.db2.gz FMMSNIDNLGFAJO-CQSZACIVSA-N 2 1 335.448 1.916 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000529314009 448818577 /nfs/dbraw/zinc/81/85/77/448818577.db2.gz MGAVCGFQOAPDMU-NXHRZFHOSA-N 2 1 346.475 1.327 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000568151577 448823596 /nfs/dbraw/zinc/82/35/96/448823596.db2.gz FSVQVIFEHANNGT-SFHVURJKSA-N 2 1 344.503 1.430 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000592432649 448834424 /nfs/dbraw/zinc/83/44/24/448834424.db2.gz HQLALRRSUXZRGW-SFHVURJKSA-N 2 1 334.464 1.639 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000592432649 448834430 /nfs/dbraw/zinc/83/44/30/448834430.db2.gz HQLALRRSUXZRGW-SFHVURJKSA-N 2 1 334.464 1.639 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000592432648 448834632 /nfs/dbraw/zinc/83/46/32/448834632.db2.gz HQLALRRSUXZRGW-GOSISDBHSA-N 2 1 334.464 1.639 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000592432648 448834635 /nfs/dbraw/zinc/83/46/35/448834635.db2.gz HQLALRRSUXZRGW-GOSISDBHSA-N 2 1 334.464 1.639 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC000519831918 448855925 /nfs/dbraw/zinc/85/59/25/448855925.db2.gz DHMKVSFTDIUXFL-KRWDZBQOSA-N 2 1 336.524 1.345 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc2)CC1 ZINC000579823840 448885249 /nfs/dbraw/zinc/88/52/49/448885249.db2.gz IKBYXDLQBRMZMS-INIZCTEOSA-N 2 1 345.409 1.837 20 0 EDADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000568368406 448861164 /nfs/dbraw/zinc/86/11/64/448861164.db2.gz BCUXXAXCLATCGK-HNNXBMFYSA-N 2 1 333.432 1.087 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)CC[C@H]21 ZINC000592564091 448902332 /nfs/dbraw/zinc/90/23/32/448902332.db2.gz FJDSSEQUGFBDNX-IIAWOOMASA-N 2 1 331.464 1.276 20 0 EDADMP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000568858928 448928807 /nfs/dbraw/zinc/92/88/07/448928807.db2.gz VFTHZZXDXOBCOF-ZBFHGGJFSA-N 2 1 332.448 1.002 20 0 EDADMP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000568858928 448928812 /nfs/dbraw/zinc/92/88/12/448928812.db2.gz VFTHZZXDXOBCOF-ZBFHGGJFSA-N 2 1 332.448 1.002 20 0 EDADMP C[C@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579838488 448891924 /nfs/dbraw/zinc/89/19/24/448891924.db2.gz YWIOHUGWKFGLRT-RUENVJTFSA-N 2 1 329.444 1.144 20 0 EDADMP C[C@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579838488 448891931 /nfs/dbraw/zinc/89/19/31/448891931.db2.gz YWIOHUGWKFGLRT-RUENVJTFSA-N 2 1 329.444 1.144 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000569223028 448982901 /nfs/dbraw/zinc/98/29/01/448982901.db2.gz RIBDZOCLPXSMBA-JKSUJKDBSA-N 2 1 344.286 1.789 20 0 EDADMP CC[NH2+]CCCNC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000521007241 448945762 /nfs/dbraw/zinc/94/57/62/448945762.db2.gz QPKZXDNQIJAFMH-CALCHBBNSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000575027498 449017072 /nfs/dbraw/zinc/01/70/72/449017072.db2.gz WBUWZFJTRRTDLW-HNNXBMFYSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000575027498 449017075 /nfs/dbraw/zinc/01/70/75/449017075.db2.gz WBUWZFJTRRTDLW-HNNXBMFYSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592955562 449075790 /nfs/dbraw/zinc/07/57/90/449075790.db2.gz AANMNVIMVYXULK-HZPDHXFCSA-N 2 1 347.507 1.961 20 0 EDADMP COc1cccc(C[N@@H+](CCN2CC[NH2+]CC2)C[C@H]2CCCO2)c1 ZINC000569605306 449056435 /nfs/dbraw/zinc/05/64/35/449056435.db2.gz KQDLJEWLAJHUHV-LJQANCHMSA-N 2 1 333.476 1.581 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592961614 449085402 /nfs/dbraw/zinc/08/54/02/449085402.db2.gz PVQWKSGMSXAUOI-JKSUJKDBSA-N 2 1 345.491 1.523 20 0 EDADMP O=C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)NCc1cccs1 ZINC000530237222 449091115 /nfs/dbraw/zinc/09/11/15/449091115.db2.gz BZKNOMFNCMPNAQ-OAHLLOKOSA-N 2 1 337.489 1.455 20 0 EDADMP COCc1cnc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000530248809 449093864 /nfs/dbraw/zinc/09/38/64/449093864.db2.gz PLVVAZJODNVRLJ-CQSZACIVSA-N 2 1 325.478 1.880 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H](C)[NH+](C)C ZINC000602081743 449329666 /nfs/dbraw/zinc/32/96/66/449329666.db2.gz AZMYFEJDRIIJEG-CABCVRRESA-N 2 1 327.469 1.203 20 0 EDADMP C[NH+]1CCN(c2cccc(C(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)n2)CC1 ZINC000617010387 449429327 /nfs/dbraw/zinc/42/93/27/449429327.db2.gz OHLBKYBWNJZROV-HNNXBMFYSA-N 2 1 345.491 1.436 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)C(=O)OC)CC2)CC1 ZINC000594351166 449462421 /nfs/dbraw/zinc/46/24/21/449462421.db2.gz FLUUXCMLQFSTCI-AWEZNQCLSA-N 2 1 339.480 1.203 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ncc[nH]1 ZINC000612051754 449540680 /nfs/dbraw/zinc/54/06/80/449540680.db2.gz ZMLLCDIWLZCKCY-UHFFFAOYSA-N 2 1 333.480 1.678 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+](C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607405425 449609436 /nfs/dbraw/zinc/60/94/36/449609436.db2.gz YDCHMTUXCFNCHG-WMZOPIPTSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+](C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607405425 449609441 /nfs/dbraw/zinc/60/94/41/449609441.db2.gz YDCHMTUXCFNCHG-WMZOPIPTSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)C1 ZINC000602466239 449612427 /nfs/dbraw/zinc/61/24/27/449612427.db2.gz BHMWGEYGBJHYLT-IQMFZBJNSA-N 2 1 343.537 1.115 20 0 EDADMP C[N@@H+](CCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1)C1CCCCC1 ZINC000602467950 449614210 /nfs/dbraw/zinc/61/42/10/449614210.db2.gz LNBBYFHTKJHJBZ-QHCPKHFHSA-N 2 1 343.537 1.258 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602469260 449615654 /nfs/dbraw/zinc/61/56/54/449615654.db2.gz SHEHKLXMUUFHOR-WNSKOXEYSA-N 2 1 343.537 1.258 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC000602473554 449619534 /nfs/dbraw/zinc/61/95/34/449619534.db2.gz ONNVTVYTOGSEFZ-QHCPKHFHSA-N 2 1 343.537 1.066 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000617504765 449651095 /nfs/dbraw/zinc/65/10/95/449651095.db2.gz JQZNBYRVWDXONT-ZDUSSCGKSA-N 2 1 347.463 1.281 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000617504765 449651100 /nfs/dbraw/zinc/65/11/00/449651100.db2.gz JQZNBYRVWDXONT-ZDUSSCGKSA-N 2 1 347.463 1.281 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)C1CCC(O)CC1 ZINC000617506902 449657470 /nfs/dbraw/zinc/65/74/70/449657470.db2.gz BWVGYIAZAFKXAW-GTPINHCMSA-N 2 1 341.540 1.952 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)C1CCC(O)CC1 ZINC000617506902 449657475 /nfs/dbraw/zinc/65/74/75/449657475.db2.gz BWVGYIAZAFKXAW-GTPINHCMSA-N 2 1 341.540 1.952 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000607658273 449630891 /nfs/dbraw/zinc/63/08/91/449630891.db2.gz SCFTXBBRRYKZAU-IAGOWNOFSA-N 2 1 330.476 1.265 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000607658273 449630894 /nfs/dbraw/zinc/63/08/94/449630894.db2.gz SCFTXBBRRYKZAU-IAGOWNOFSA-N 2 1 330.476 1.265 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C ZINC000617504163 449647672 /nfs/dbraw/zinc/64/76/72/449647672.db2.gz INNGZKGKSCHIJX-DAYGRLMNSA-N 2 1 349.475 1.603 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C ZINC000617504163 449647673 /nfs/dbraw/zinc/64/76/73/449647673.db2.gz INNGZKGKSCHIJX-DAYGRLMNSA-N 2 1 349.475 1.603 20 0 EDADMP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000617726533 449784526 /nfs/dbraw/zinc/78/45/26/449784526.db2.gz YEJLZLUWZBGZHG-CVEARBPZSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000617726533 449784530 /nfs/dbraw/zinc/78/45/30/449784530.db2.gz YEJLZLUWZBGZHG-CVEARBPZSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000617726533 449784536 /nfs/dbraw/zinc/78/45/36/449784536.db2.gz YEJLZLUWZBGZHG-CVEARBPZSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000617726533 449784543 /nfs/dbraw/zinc/78/45/43/449784543.db2.gz YEJLZLUWZBGZHG-CVEARBPZSA-N 2 1 325.497 1.866 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000617767269 449831227 /nfs/dbraw/zinc/83/12/27/449831227.db2.gz MZWLICYXVPHESQ-IBGZPJMESA-N 2 1 346.519 1.651 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc4c3CCOC4)C2)CC1 ZINC000602775020 449798467 /nfs/dbraw/zinc/79/84/67/449798467.db2.gz DBLPFLQHXCBEKR-LJQANCHMSA-N 2 1 329.488 1.971 20 0 EDADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000608709078 449917014 /nfs/dbraw/zinc/91/70/14/449917014.db2.gz KKUVOFSVFIEFMJ-SJORKVTESA-N 2 1 339.528 1.042 20 0 EDADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)NC(=O)NC1CCCC1 ZINC000603110578 450073773 /nfs/dbraw/zinc/07/37/73/450073773.db2.gz MATOYQFZWFJRAP-UHFFFAOYSA-N 2 1 338.496 1.953 20 0 EDADMP C[C@@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000618549530 450239539 /nfs/dbraw/zinc/23/95/39/450239539.db2.gz AYXQTODVPJWDPZ-QLFBSQMISA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000618549530 450239546 /nfs/dbraw/zinc/23/95/46/450239546.db2.gz AYXQTODVPJWDPZ-QLFBSQMISA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000618549530 450239557 /nfs/dbraw/zinc/23/95/57/450239557.db2.gz AYXQTODVPJWDPZ-QLFBSQMISA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000618549530 450239562 /nfs/dbraw/zinc/23/95/62/450239562.db2.gz AYXQTODVPJWDPZ-QLFBSQMISA-N 2 1 326.485 1.268 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000613660326 450263268 /nfs/dbraw/zinc/26/32/68/450263268.db2.gz IEGJWIVGLATONG-LMMKCTJWSA-N 2 1 331.460 1.222 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000613660328 450263616 /nfs/dbraw/zinc/26/36/16/450263616.db2.gz IEGJWIVGLATONG-ZHALLVOQSA-N 2 1 331.460 1.222 20 0 EDADMP CCC[NH+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC000616781502 450483411 /nfs/dbraw/zinc/48/34/11/450483411.db2.gz MTANZERPULUVLF-HZPDHXFCSA-N 2 1 340.512 1.214 20 0 EDADMP C[NH+](C)[C@H](CC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000620478873 450498368 /nfs/dbraw/zinc/49/83/68/450498368.db2.gz JISYPHKMMWZYKD-RBUKOAKNSA-N 2 1 345.487 1.737 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)CC1(C)C ZINC000623353921 450504539 /nfs/dbraw/zinc/50/45/39/450504539.db2.gz BWFUTQAVHWZXGF-QGZVFWFLSA-N 2 1 346.523 1.451 20 0 EDADMP C[NH+]1CCN(c2ncccc2CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623379535 450509805 /nfs/dbraw/zinc/50/98/05/450509805.db2.gz WTNXTJQSFZSPEU-QGZVFWFLSA-N 2 1 331.508 1.796 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)CC1(C)C ZINC000623415813 450519072 /nfs/dbraw/zinc/51/90/72/450519072.db2.gz YJNSQRBQRQFRSF-CABCVRRESA-N 2 1 330.476 1.827 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000623572070 450545281 /nfs/dbraw/zinc/54/52/81/450545281.db2.gz PTPLMAWJNFDPCO-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000623572070 450545283 /nfs/dbraw/zinc/54/52/83/450545283.db2.gz PTPLMAWJNFDPCO-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000623572070 450545286 /nfs/dbraw/zinc/54/52/86/450545286.db2.gz PTPLMAWJNFDPCO-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP CN1C2(CCC2)COC[C@@]1(CO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623617071 450552209 /nfs/dbraw/zinc/55/22/09/450552209.db2.gz WGXADQFPHBYBSP-YJBOKZPZSA-N 2 1 325.497 1.065 20 0 EDADMP CN1CCOC[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000623712731 450570379 /nfs/dbraw/zinc/57/03/79/450570379.db2.gz JZTSQYVOLKVMHI-LJQANCHMSA-N 2 1 335.467 1.753 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[NH2+][C@H](C(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000621151582 450600074 /nfs/dbraw/zinc/60/00/74/450600074.db2.gz DMYJCNMRZBTITA-YVSFHVDLSA-N 2 1 325.497 1.577 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[NH2+][C@H](C(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000621151582 450600080 /nfs/dbraw/zinc/60/00/80/450600080.db2.gz DMYJCNMRZBTITA-YVSFHVDLSA-N 2 1 325.497 1.577 20 0 EDADMP CCC1([NH+](C)C)CCN(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000633040683 450638569 /nfs/dbraw/zinc/63/85/69/450638569.db2.gz RJOAHKOMVRKICB-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631677103 450708729 /nfs/dbraw/zinc/70/87/29/450708729.db2.gz PMESQVUHICZNPG-MRXNPFEDSA-N 2 1 331.526 1.656 20 0 EDADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000629515069 450722308 /nfs/dbraw/zinc/72/23/08/450722308.db2.gz WLAKREIXVPYMIL-WCFLWFBJSA-N 2 1 332.370 1.686 20 0 EDADMP CN1C(=O)c2ccccc2[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624187387 450739816 /nfs/dbraw/zinc/73/98/16/450739816.db2.gz WVKWCXOOIBWENI-MAUKXSAKSA-N 2 1 329.444 1.656 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000629570026 450740638 /nfs/dbraw/zinc/74/06/38/450740638.db2.gz SQIUFRJZMUJCJS-GJZGRUSLSA-N 2 1 339.505 1.968 20 0 EDADMP C[N@H+](CCOCC[NH3+])[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000629577405 450745805 /nfs/dbraw/zinc/74/58/05/450745805.db2.gz HRMRKAJUZYYAKO-AWEZNQCLSA-N 2 1 345.365 1.718 20 0 EDADMP C[N@@H+](CCOCC[NH3+])[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000629577405 450745807 /nfs/dbraw/zinc/74/58/07/450745807.db2.gz HRMRKAJUZYYAKO-AWEZNQCLSA-N 2 1 345.365 1.718 20 0 EDADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629578330 450745944 /nfs/dbraw/zinc/74/59/44/450745944.db2.gz IRWQIASTAKSEEN-CYBMUJFWSA-N 2 1 327.856 1.767 20 0 EDADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629578330 450745948 /nfs/dbraw/zinc/74/59/48/450745948.db2.gz IRWQIASTAKSEEN-CYBMUJFWSA-N 2 1 327.856 1.767 20 0 EDADMP C[C@@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)C1CC[NH+](C)CC1 ZINC000624269693 450773208 /nfs/dbraw/zinc/77/32/08/450773208.db2.gz NAHYQOMGKISXIJ-OAHLLOKOSA-N 2 1 347.507 1.479 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000624357150 450806960 /nfs/dbraw/zinc/80/69/60/450806960.db2.gz HKXADMBZDCZOFT-SFHVURJKSA-N 2 1 345.491 1.687 20 0 EDADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C[C@@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC000621688832 450833613 /nfs/dbraw/zinc/83/36/13/450833613.db2.gz ZWOZHXLVDQYVJX-NSHGMRRFSA-N 2 1 343.471 1.617 20 0 EDADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC000621688832 450833616 /nfs/dbraw/zinc/83/36/16/450833616.db2.gz ZWOZHXLVDQYVJX-NSHGMRRFSA-N 2 1 343.471 1.617 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c2ccccc2)CC1 ZINC000621688936 450833643 /nfs/dbraw/zinc/83/36/43/450833643.db2.gz AXTUBVKXZFSALH-WSTZPKSXSA-N 2 1 342.487 1.315 20 0 EDADMP CCCn1nccc1NC(=O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000631828814 450801415 /nfs/dbraw/zinc/80/14/15/450801415.db2.gz ZBEJYRGGQYPREI-HOTGVXAUSA-N 2 1 349.479 1.450 20 0 EDADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000631830097 450802078 /nfs/dbraw/zinc/80/20/78/450802078.db2.gz JLKNJBBLCKLXAR-HZPDHXFCSA-N 2 1 333.480 1.568 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635325345 450850118 /nfs/dbraw/zinc/85/01/18/450850118.db2.gz MVPVYSHXWGNPNN-QGZVFWFLSA-N 2 1 339.524 1.973 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000629912221 450879037 /nfs/dbraw/zinc/87/90/37/450879037.db2.gz BKWGKEMEPKMFPF-SFHVURJKSA-N 2 1 331.460 1.081 20 0 EDADMP COCC[NH+](CCOC)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629991852 450939005 /nfs/dbraw/zinc/93/90/05/450939005.db2.gz IWNMYZOPKNYCKC-UHFFFAOYSA-N 2 1 341.496 1.057 20 0 EDADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO)C1CCC1 ZINC000629974709 450928791 /nfs/dbraw/zinc/92/87/91/450928791.db2.gz KZPLWQILOFVCPU-PKOBYXMFSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)C1CCC1 ZINC000629974709 450928795 /nfs/dbraw/zinc/92/87/95/450928795.db2.gz KZPLWQILOFVCPU-PKOBYXMFSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)C1CCC1 ZINC000629974709 450928799 /nfs/dbraw/zinc/92/87/99/450928799.db2.gz KZPLWQILOFVCPU-PKOBYXMFSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000631933772 450892653 /nfs/dbraw/zinc/89/26/53/450892653.db2.gz JSYJAMWWBBKWEU-UHFFFAOYSA-N 2 1 325.478 1.261 20 0 EDADMP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000635454183 450955085 /nfs/dbraw/zinc/95/50/85/450955085.db2.gz UMWDIXTTXFZRQZ-IBGZPJMESA-N 2 1 349.519 1.964 20 0 EDADMP c1cc(-c2cnc(N3CC[NH2+]CC3)nc2)ccc1C[NH+]1CCOCC1 ZINC000630053271 450985207 /nfs/dbraw/zinc/98/52/07/450985207.db2.gz OWBCOHWZJIFGHV-UHFFFAOYSA-N 2 1 339.443 1.385 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000635489546 450985910 /nfs/dbraw/zinc/98/59/10/450985910.db2.gz FXHZPVKGZVTCAV-HNNXBMFYSA-N 2 1 338.452 1.101 20 0 EDADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635505019 450999557 /nfs/dbraw/zinc/99/95/57/450999557.db2.gz GOQSYISYABSLCZ-KRWDZBQOSA-N 2 1 335.492 1.765 20 0 EDADMP CC[C@@H](CNC(=O)NCCOCC[NH2+]C)[N@H+]1CCc2ccccc2C1 ZINC000626934631 451017622 /nfs/dbraw/zinc/01/76/22/451017622.db2.gz KLLDCSMEKIZLGJ-SFHVURJKSA-N 2 1 348.491 1.359 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635539700 451035686 /nfs/dbraw/zinc/03/56/86/451035686.db2.gz SGUCSUQCYGNJEJ-UHFFFAOYSA-N 2 1 327.513 1.970 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626999404 451064326 /nfs/dbraw/zinc/06/43/26/451064326.db2.gz ZCTCOKJEFNWVLX-OXHZDVMGSA-N 2 1 348.413 1.638 20 0 EDADMP C[C@@H](NC(=O)NC1(C[NH3+])CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000627011833 451075364 /nfs/dbraw/zinc/07/53/64/451075364.db2.gz KZOCUBNZTXMIJT-CABCVRRESA-N 2 1 338.496 1.447 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000622185599 451094029 /nfs/dbraw/zinc/09/40/29/451094029.db2.gz JCNPWVPCYDGKLA-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP [NH3+]CC1(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000626978430 451047633 /nfs/dbraw/zinc/04/76/33/451047633.db2.gz CUWPFWSFEQHZIX-KRWDZBQOSA-N 2 1 346.475 1.458 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccnc2ccnn21 ZINC000625025197 451117480 /nfs/dbraw/zinc/11/74/80/451117480.db2.gz NGYWFYZXJILTQD-OAHLLOKOSA-N 2 1 344.463 1.217 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628124454 451147652 /nfs/dbraw/zinc/14/76/52/451147652.db2.gz IIGNYDKAPBJXRX-GOSISDBHSA-N 2 1 335.492 1.717 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627162678 451157688 /nfs/dbraw/zinc/15/76/88/451157688.db2.gz QFBQCJJNMRICAG-INIZCTEOSA-N 2 1 346.475 1.410 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627162678 451157691 /nfs/dbraw/zinc/15/76/91/451157691.db2.gz QFBQCJJNMRICAG-INIZCTEOSA-N 2 1 346.475 1.410 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000627166367 451160156 /nfs/dbraw/zinc/16/01/56/451160156.db2.gz CRGKCWKQGWPILA-YESZJQIVSA-N 3 1 339.528 1.184 20 0 EDADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC000638081749 451245784 /nfs/dbraw/zinc/24/57/84/451245784.db2.gz BUPJCDPKGBSEMR-RDTXWAMCSA-N 2 1 346.406 1.703 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000638082293 451246616 /nfs/dbraw/zinc/24/66/16/451246616.db2.gz GUULBUPPUSMGGJ-MPGHIAIKSA-N 2 1 333.476 1.802 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc([C@H]([NH3+])C3CCOCC3)nn2)C1 ZINC000630590088 451266624 /nfs/dbraw/zinc/26/66/24/451266624.db2.gz SVGVREUOQIEFCN-DOTOQJQBSA-N 2 1 337.468 1.061 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638101020 451266828 /nfs/dbraw/zinc/26/68/28/451266828.db2.gz MEOLZSJJARKEMC-QZTJIDSGSA-N 2 1 332.492 1.436 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638101020 451266831 /nfs/dbraw/zinc/26/68/31/451266831.db2.gz MEOLZSJJARKEMC-QZTJIDSGSA-N 2 1 332.492 1.436 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638101020 451266834 /nfs/dbraw/zinc/26/68/34/451266834.db2.gz MEOLZSJJARKEMC-QZTJIDSGSA-N 2 1 332.492 1.436 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000638124304 451293847 /nfs/dbraw/zinc/29/38/47/451293847.db2.gz RXRYMPVHCZFNQH-NXHRZFHOSA-N 2 1 332.492 1.387 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000638124304 451293849 /nfs/dbraw/zinc/29/38/49/451293849.db2.gz RXRYMPVHCZFNQH-NXHRZFHOSA-N 2 1 332.492 1.387 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000638124304 451293851 /nfs/dbraw/zinc/29/38/51/451293851.db2.gz RXRYMPVHCZFNQH-NXHRZFHOSA-N 2 1 332.492 1.387 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000638125550 451295891 /nfs/dbraw/zinc/29/58/91/451295891.db2.gz FFBWOWRWJHHZLJ-SJLPKXTDSA-N 2 1 333.476 1.898 20 0 EDADMP COC[C@@]1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638127092 451296550 /nfs/dbraw/zinc/29/65/50/451296550.db2.gz UNHBQLYZIQOGMF-AZUAARDMSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638131948 451304369 /nfs/dbraw/zinc/30/43/69/451304369.db2.gz SMOGYPKHUKDMPJ-ZWKOTPCHSA-N 2 1 332.492 1.246 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638131948 451304374 /nfs/dbraw/zinc/30/43/74/451304374.db2.gz SMOGYPKHUKDMPJ-ZWKOTPCHSA-N 2 1 332.492 1.246 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638131948 451304379 /nfs/dbraw/zinc/30/43/79/451304379.db2.gz SMOGYPKHUKDMPJ-ZWKOTPCHSA-N 2 1 332.492 1.246 20 0 EDADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638131948 451304382 /nfs/dbraw/zinc/30/43/82/451304382.db2.gz SMOGYPKHUKDMPJ-ZWKOTPCHSA-N 2 1 332.492 1.246 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638131948 451304384 /nfs/dbraw/zinc/30/43/84/451304384.db2.gz SMOGYPKHUKDMPJ-ZWKOTPCHSA-N 2 1 332.492 1.246 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000638132868 451304780 /nfs/dbraw/zinc/30/47/80/451304780.db2.gz FSMKHJZWTSEEFM-LSDHHAIUSA-N 2 1 334.489 1.200 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000638142491 451317115 /nfs/dbraw/zinc/31/71/15/451317115.db2.gz CHWNXTOEOIRNRK-GBESFXJTSA-N 2 1 344.503 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000638142491 451317122 /nfs/dbraw/zinc/31/71/22/451317122.db2.gz CHWNXTOEOIRNRK-GBESFXJTSA-N 2 1 344.503 1.436 20 0 EDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[NH+]1C ZINC000635839274 451288708 /nfs/dbraw/zinc/28/87/08/451288708.db2.gz DXVYJABPRQWUIV-ICSRJNTNSA-N 2 1 345.487 1.566 20 0 EDADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635839274 451288714 /nfs/dbraw/zinc/28/87/14/451288714.db2.gz DXVYJABPRQWUIV-ICSRJNTNSA-N 2 1 345.487 1.566 20 0 EDADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000635839274 451288722 /nfs/dbraw/zinc/28/87/22/451288722.db2.gz DXVYJABPRQWUIV-ICSRJNTNSA-N 2 1 345.487 1.566 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC000634458857 451351799 /nfs/dbraw/zinc/35/17/99/451351799.db2.gz FUUNTBCRDNAARN-BPQIPLTHSA-N 2 1 331.460 1.405 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC000634458857 451351803 /nfs/dbraw/zinc/35/18/03/451351803.db2.gz FUUNTBCRDNAARN-BPQIPLTHSA-N 2 1 331.460 1.405 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cc1 ZINC000634458857 451351808 /nfs/dbraw/zinc/35/18/08/451351808.db2.gz FUUNTBCRDNAARN-BPQIPLTHSA-N 2 1 331.460 1.405 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cc1 ZINC000634458857 451351814 /nfs/dbraw/zinc/35/18/14/451351814.db2.gz FUUNTBCRDNAARN-BPQIPLTHSA-N 2 1 331.460 1.405 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638246228 451378742 /nfs/dbraw/zinc/37/87/42/451378742.db2.gz CDCXBUJQSQULQS-KRWDZBQOSA-N 2 1 330.476 1.048 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638246228 451378746 /nfs/dbraw/zinc/37/87/46/451378746.db2.gz CDCXBUJQSQULQS-KRWDZBQOSA-N 2 1 330.476 1.048 20 0 EDADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)COC1CCOCC1 ZINC000640533498 451384124 /nfs/dbraw/zinc/38/41/24/451384124.db2.gz SVHQXIWXAYMCFE-KRWDZBQOSA-N 2 1 328.497 1.741 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000638260527 451385304 /nfs/dbraw/zinc/38/53/04/451385304.db2.gz USNADGJUHRBIQI-QUCCMNQESA-N 2 1 345.487 1.516 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(CC2CC2)c1 ZINC000630879138 451457278 /nfs/dbraw/zinc/45/72/78/451457278.db2.gz HDPCLLZJZXCQNP-GOSISDBHSA-N 2 1 347.507 1.781 20 0 EDADMP O[C@@]1(CNC[C@H]2CC[N@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634700876 451475071 /nfs/dbraw/zinc/47/50/71/451475071.db2.gz GUAIZHDAEDQBPE-UYAOXDASSA-N 2 1 329.488 1.697 20 0 EDADMP O[C@@]1(CNC[C@H]2CC[NH+](C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634700876 451475077 /nfs/dbraw/zinc/47/50/77/451475077.db2.gz GUAIZHDAEDQBPE-UYAOXDASSA-N 2 1 329.488 1.697 20 0 EDADMP O[C@@]1(CNC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700876 451475082 /nfs/dbraw/zinc/47/50/82/451475082.db2.gz GUAIZHDAEDQBPE-UYAOXDASSA-N 2 1 329.488 1.697 20 0 EDADMP Cc1cnc(CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000634715342 451495128 /nfs/dbraw/zinc/49/51/28/451495128.db2.gz BERGFUWQZAMOGT-LJQANCHMSA-N 2 1 326.444 1.554 20 0 EDADMP Cc1cnc(CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000634715342 451495133 /nfs/dbraw/zinc/49/51/33/451495133.db2.gz BERGFUWQZAMOGT-LJQANCHMSA-N 2 1 326.444 1.554 20 0 EDADMP O[C@@]1(C[NH2+][C@H]2CCc3n[nH]cc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634708660 451487154 /nfs/dbraw/zinc/48/71/54/451487154.db2.gz XTRGSSFZEZWAGB-PKOBYXMFSA-N 2 1 326.444 1.494 20 0 EDADMP O[C@@]1(C[NH2+][C@H]2CCc3n[nH]cc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708660 451487156 /nfs/dbraw/zinc/48/71/56/451487156.db2.gz XTRGSSFZEZWAGB-PKOBYXMFSA-N 2 1 326.444 1.494 20 0 EDADMP Cc1c(C[NH3+])c(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000638401363 451489503 /nfs/dbraw/zinc/48/95/03/451489503.db2.gz CFSVVQLWTXJACS-OAHLLOKOSA-N 2 1 327.432 1.648 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000638342339 451446910 /nfs/dbraw/zinc/44/69/10/451446910.db2.gz PXBAIACLOKSFEQ-RDJZCZTQSA-N 2 1 334.464 1.751 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)CC1 ZINC000636087426 451506430 /nfs/dbraw/zinc/50/64/30/451506430.db2.gz JDOMTEWNWPMYTJ-CVEARBPZSA-N 2 1 347.507 1.477 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC[C@H]1F ZINC000638431713 451510969 /nfs/dbraw/zinc/51/09/69/451510969.db2.gz TXMHJIJCMKCQPA-IAGOWNOFSA-N 3 1 348.466 1.268 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CO[C@H](C4CC4)C3)CC2)CC1 ZINC000629128831 451560795 /nfs/dbraw/zinc/56/07/95/451560795.db2.gz VYQVBNMEEWZCIE-MJGOQNOKSA-N 2 1 349.519 1.866 20 0 EDADMP CCc1cccc(OCCn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000640833872 451619041 /nfs/dbraw/zinc/61/90/41/451619041.db2.gz NNGLTJHFHPVQNM-UHFFFAOYSA-N 2 1 343.475 1.885 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)cc2F)CC1 ZINC000638642308 451626526 /nfs/dbraw/zinc/62/65/26/451626526.db2.gz IHLCKEIPKDBWDT-GDBMZVCRSA-N 2 1 348.466 1.838 20 0 EDADMP Nc1ccc(-c2cccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000634994549 451641150 /nfs/dbraw/zinc/64/11/50/451641150.db2.gz HEWSMHNOABQMKS-IBGZPJMESA-N 2 1 337.471 1.810 20 0 EDADMP [NH3+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000638818934 451700370 /nfs/dbraw/zinc/70/03/70/451700370.db2.gz GCBUKRMDHNRWLJ-MSOLQXFVSA-N 2 1 331.460 1.617 20 0 EDADMP [NH3+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000638818934 451700373 /nfs/dbraw/zinc/70/03/73/451700373.db2.gz GCBUKRMDHNRWLJ-MSOLQXFVSA-N 2 1 331.460 1.617 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000638834304 451705813 /nfs/dbraw/zinc/70/58/13/451705813.db2.gz DZPPVOAKDSOVIN-FUHWJXTLSA-N 2 1 345.487 1.639 20 0 EDADMP CC[NH+](CC)CCNC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000636445299 451711819 /nfs/dbraw/zinc/71/18/19/451711819.db2.gz FPHGGFQKUQWYRO-QGZVFWFLSA-N 2 1 348.491 1.911 20 0 EDADMP CC[NH+](CC)CCNC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000636445299 451711822 /nfs/dbraw/zinc/71/18/22/451711822.db2.gz FPHGGFQKUQWYRO-QGZVFWFLSA-N 2 1 348.491 1.911 20 0 EDADMP CCC1([NH+]2CCCC2)CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000638861796 451713703 /nfs/dbraw/zinc/71/37/03/451713703.db2.gz GERZWZCCGJWARS-HNNXBMFYSA-N 2 1 345.491 1.967 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[NH2+]C[C@@H]3CCCO3)C2)cc1 ZINC000639006568 451751790 /nfs/dbraw/zinc/75/17/90/451751790.db2.gz WYVZPLYIJVIHPA-MSOLQXFVSA-N 2 1 331.460 1.454 20 0 EDADMP CCC[C@H]([NH3+])c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641230746 451791986 /nfs/dbraw/zinc/79/19/86/451791986.db2.gz STQODXUCQSCKCN-WMZOPIPTSA-N 2 1 329.448 1.715 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000637372221 451803748 /nfs/dbraw/zinc/80/37/48/451803748.db2.gz JUSJZMWLZLGBCY-WBVHZDCISA-N 2 1 326.485 1.005 20 0 EDADMP CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000641326853 451850088 /nfs/dbraw/zinc/85/00/88/451850088.db2.gz HPNODNRZSOKYOQ-MRXNPFEDSA-N 2 1 349.500 1.532 20 0 EDADMP CN([C@@H]1CCN(C2CC2)C1)S(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000641326853 451850092 /nfs/dbraw/zinc/85/00/92/451850092.db2.gz HPNODNRZSOKYOQ-MRXNPFEDSA-N 2 1 349.500 1.532 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000644569919 451867640 /nfs/dbraw/zinc/86/76/40/451867640.db2.gz OOZNOHUXUCONBV-XLIONFOSSA-N 2 1 347.503 1.495 20 0 EDADMP CC[N@@H+]1CCCN(S(=O)(=O)c2cccc3c2CCN(C)C3)CC1 ZINC000641319284 451842026 /nfs/dbraw/zinc/84/20/26/451842026.db2.gz RIEXLMGPVPNUMH-UHFFFAOYSA-N 2 1 337.489 1.391 20 0 EDADMP CC[N@H+]1CCCN(S(=O)(=O)c2cccc3c2CCN(C)C3)CC1 ZINC000641319284 451842030 /nfs/dbraw/zinc/84/20/30/451842030.db2.gz RIEXLMGPVPNUMH-UHFFFAOYSA-N 2 1 337.489 1.391 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC000653389690 451900789 /nfs/dbraw/zinc/90/07/89/451900789.db2.gz IKCBVWOWYFUTMA-MRXNPFEDSA-N 2 1 340.512 1.071 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000653389690 451900795 /nfs/dbraw/zinc/90/07/95/451900795.db2.gz IKCBVWOWYFUTMA-MRXNPFEDSA-N 2 1 340.512 1.071 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H](C)C[N@H+]1CCO ZINC000642753712 451951525 /nfs/dbraw/zinc/95/15/25/451951525.db2.gz XYWADRCWCHXZLX-XNIRIUNOSA-N 2 1 338.496 1.100 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCOCC1 ZINC000649285015 451956959 /nfs/dbraw/zinc/95/69/59/451956959.db2.gz UIHQKQXMDSFZPB-CABCVRRESA-N 2 1 347.450 1.484 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649287572 451961458 /nfs/dbraw/zinc/96/14/58/451961458.db2.gz QTFBEJSPPUUKNB-UHFFFAOYSA-N 2 1 331.460 1.408 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000649299242 451976767 /nfs/dbraw/zinc/97/67/67/451976767.db2.gz BMKPWMQVZNEPFF-USXIJHARSA-N 2 1 344.459 1.450 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000649299242 451976770 /nfs/dbraw/zinc/97/67/70/451976770.db2.gz BMKPWMQVZNEPFF-USXIJHARSA-N 2 1 344.459 1.450 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])cc2)CC1 ZINC000649308349 451985547 /nfs/dbraw/zinc/98/55/47/451985547.db2.gz AZHWMIIRQGXPEY-KBPBESRZSA-N 2 1 332.448 1.386 20 0 EDADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000649308699 451987024 /nfs/dbraw/zinc/98/70/24/451987024.db2.gz VYVLLMVUSZYVMP-RHSMWYFYSA-N 2 1 346.475 1.776 20 0 EDADMP C[N@H+]1CC[C@](N)(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000649310919 451987458 /nfs/dbraw/zinc/98/74/58/451987458.db2.gz NSKQCSSASGEGAW-HXUWFJFHSA-N 2 1 344.503 1.712 20 0 EDADMP COCC[NH+](CCOC)C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC000639644233 451994548 /nfs/dbraw/zinc/99/45/48/451994548.db2.gz UVIVSJRFPXVBBJ-QGZVFWFLSA-N 2 1 328.497 1.861 20 0 EDADMP O=c1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nc2ccccn12 ZINC000639683421 452020655 /nfs/dbraw/zinc/02/06/55/452020655.db2.gz YRIPYQAREQMYFL-UHFFFAOYSA-N 2 1 335.411 1.802 20 0 EDADMP COc1cc(OC)c(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1F ZINC000651704815 452024656 /nfs/dbraw/zinc/02/46/56/452024656.db2.gz YUPYASZZSYBPBE-UHFFFAOYSA-N 2 1 339.411 1.097 20 0 EDADMP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000647056314 452033372 /nfs/dbraw/zinc/03/33/72/452033372.db2.gz ZVHUKGNVJKAEJZ-IRXDYDNUSA-N 2 1 328.460 1.552 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649352810 452037279 /nfs/dbraw/zinc/03/72/79/452037279.db2.gz NJBYFIXYTQTHBZ-IDCNUPLLSA-N 2 1 328.460 1.064 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000649370022 452046443 /nfs/dbraw/zinc/04/64/43/452046443.db2.gz BOYDTIJPFAFTCR-NVXWUHKLSA-N 2 1 328.460 1.837 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000649370022 452046446 /nfs/dbraw/zinc/04/64/46/452046446.db2.gz BOYDTIJPFAFTCR-NVXWUHKLSA-N 2 1 328.460 1.837 20 0 EDADMP CN(C)C(=O)CCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000653625629 452047830 /nfs/dbraw/zinc/04/78/30/452047830.db2.gz KZROFPYILCUFMM-LJQANCHMSA-N 2 1 333.476 1.424 20 0 EDADMP CN(C)C(=O)CCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000653625629 452047834 /nfs/dbraw/zinc/04/78/34/452047834.db2.gz KZROFPYILCUFMM-LJQANCHMSA-N 2 1 333.476 1.424 20 0 EDADMP CN(C)C(=O)CCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000653625629 452047836 /nfs/dbraw/zinc/04/78/36/452047836.db2.gz KZROFPYILCUFMM-LJQANCHMSA-N 2 1 333.476 1.424 20 0 EDADMP CN(C)C(=O)CCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000653625629 452047841 /nfs/dbraw/zinc/04/78/41/452047841.db2.gz KZROFPYILCUFMM-LJQANCHMSA-N 2 1 333.476 1.424 20 0 EDADMP CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@H]1[NH3+] ZINC000649416772 452077950 /nfs/dbraw/zinc/07/79/50/452077950.db2.gz LPVWBEOKNCGMEQ-NVXWUHKLSA-N 2 1 348.466 1.534 20 0 EDADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@H]1[NH3+] ZINC000649416772 452077958 /nfs/dbraw/zinc/07/79/58/452077958.db2.gz LPVWBEOKNCGMEQ-NVXWUHKLSA-N 2 1 348.466 1.534 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417986 452080068 /nfs/dbraw/zinc/08/00/68/452080068.db2.gz SZZPVPDOHLHLBZ-IAGOWNOFSA-N 3 1 336.524 1.299 20 0 EDADMP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637805186 452092219 /nfs/dbraw/zinc/09/22/19/452092219.db2.gz KNTSHJAPQXSMSX-GGPKGHCWSA-N 2 1 343.471 1.393 20 0 EDADMP CN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000637812211 452094872 /nfs/dbraw/zinc/09/48/72/452094872.db2.gz YAMZOWGNYHPTMQ-UHFFFAOYSA-N 3 1 344.503 1.580 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000637828761 452105214 /nfs/dbraw/zinc/10/52/14/452105214.db2.gz HEBIKMYPLQOCIB-GOSISDBHSA-N 2 1 338.455 1.582 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000637828761 452105221 /nfs/dbraw/zinc/10/52/21/452105221.db2.gz HEBIKMYPLQOCIB-GOSISDBHSA-N 2 1 338.455 1.582 20 0 EDADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[NH+]2CCC(O)CC2)o1 ZINC000647174764 452106788 /nfs/dbraw/zinc/10/67/88/452106788.db2.gz LSOJZHNIDLTLMF-UHFFFAOYSA-N 2 1 332.448 1.925 20 0 EDADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647493469 452237147 /nfs/dbraw/zinc/23/71/47/452237147.db2.gz UVKSEDTUSLURMX-UHFFFAOYSA-N 2 1 345.466 1.965 20 0 EDADMP Cc1cccc2nc(CCNC(=O)NCC[NH+]3CCSCC3)cn21 ZINC000645259533 452239611 /nfs/dbraw/zinc/23/96/11/452239611.db2.gz BLLMHPCWPAGUSY-UHFFFAOYSA-N 2 1 347.488 1.533 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)CC12CCOCC2 ZINC000647545215 452275242 /nfs/dbraw/zinc/27/52/42/452275242.db2.gz TURJCURIWTUPRQ-KRWDZBQOSA-N 2 1 343.471 1.766 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000641803616 452279471 /nfs/dbraw/zinc/27/94/71/452279471.db2.gz UNVLJHGDQBLZSE-CVEARBPZSA-N 2 1 334.439 1.190 20 0 EDADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H](Cc2ccccc2)C1 ZINC000655486214 452282576 /nfs/dbraw/zinc/28/25/76/452282576.db2.gz POMJYXVFRLKVAN-WSTZPKSXSA-N 2 1 327.472 1.761 20 0 EDADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H](Cc2ccccc2)C1 ZINC000655486214 452282583 /nfs/dbraw/zinc/28/25/83/452282583.db2.gz POMJYXVFRLKVAN-WSTZPKSXSA-N 2 1 327.472 1.761 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659435833 452284101 /nfs/dbraw/zinc/28/41/01/452284101.db2.gz FZYBAUHREBQCGG-KFKAGJAMSA-N 2 1 342.487 1.916 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641808135 452288307 /nfs/dbraw/zinc/28/83/07/452288307.db2.gz SRQOVNUVAKBMSJ-SYWGBEHUSA-N 2 1 349.475 1.985 20 0 EDADMP C[C@H]([NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C(C)(C)n1cncn1 ZINC000638035311 452290602 /nfs/dbraw/zinc/29/06/02/452290602.db2.gz RPWMNYCLARLTRR-IRXDYDNUSA-N 2 1 334.512 1.504 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCCC2)[C@H](C)C1 ZINC000659456664 452308432 /nfs/dbraw/zinc/30/84/32/452308432.db2.gz QCFJYSXSKSUTNC-HZPDHXFCSA-N 2 1 340.512 1.694 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659459956 452313616 /nfs/dbraw/zinc/31/36/16/452313616.db2.gz NPDZYDGMJTUJIZ-ZMSDIMECSA-N 2 1 334.464 1.183 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659459956 452313623 /nfs/dbraw/zinc/31/36/23/452313623.db2.gz NPDZYDGMJTUJIZ-ZMSDIMECSA-N 2 1 334.464 1.183 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)n1C ZINC000659463601 452317100 /nfs/dbraw/zinc/31/71/00/452317100.db2.gz AUTMFCQNYAHTPC-OAHLLOKOSA-N 2 1 348.495 1.407 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000665758904 452327510 /nfs/dbraw/zinc/32/75/10/452327510.db2.gz SLSMDORFRWNNNB-YESZJQIVSA-N 2 1 341.544 1.383 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000665758904 452327520 /nfs/dbraw/zinc/32/75/20/452327520.db2.gz SLSMDORFRWNNNB-YESZJQIVSA-N 3 1 341.544 1.383 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000665758904 452327528 /nfs/dbraw/zinc/32/75/28/452327528.db2.gz SLSMDORFRWNNNB-YESZJQIVSA-N 3 1 341.544 1.383 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000665758904 452327536 /nfs/dbraw/zinc/32/75/36/452327536.db2.gz SLSMDORFRWNNNB-YESZJQIVSA-N 3 1 341.544 1.383 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000665758904 452327544 /nfs/dbraw/zinc/32/75/44/452327544.db2.gz SLSMDORFRWNNNB-YESZJQIVSA-N 3 1 341.544 1.383 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@]1(C)CCO[C@H]1C1CC1 ZINC000665760733 452331030 /nfs/dbraw/zinc/33/10/30/452331030.db2.gz ODEMAXBKARMPAH-ZVZYQTTQSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@]1(C)CCO[C@H]1C1CC1 ZINC000665760733 452331039 /nfs/dbraw/zinc/33/10/39/452331039.db2.gz ODEMAXBKARMPAH-ZVZYQTTQSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(CC(C)(C)O)C1CC1 ZINC000665761368 452334481 /nfs/dbraw/zinc/33/44/81/452334481.db2.gz ATHRZZKRWRWWOS-AWEZNQCLSA-N 2 1 328.501 1.203 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(CC(C)(C)O)C1CC1 ZINC000665761368 452334489 /nfs/dbraw/zinc/33/44/89/452334489.db2.gz ATHRZZKRWRWWOS-AWEZNQCLSA-N 2 1 328.501 1.203 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000665760930 452334803 /nfs/dbraw/zinc/33/48/03/452334803.db2.gz SMBWVVJLKQDPRE-YESZJQIVSA-N 2 1 340.512 1.326 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000665760930 452334812 /nfs/dbraw/zinc/33/48/12/452334812.db2.gz SMBWVVJLKQDPRE-YESZJQIVSA-N 2 1 340.512 1.326 20 0 EDADMP CO[C@@H]1C[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@@](C)(CO)C1 ZINC000640002293 452335354 /nfs/dbraw/zinc/33/53/54/452335354.db2.gz XLKKLKFNZNFPKM-SLFFLAALSA-N 2 1 348.487 1.749 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000659478264 452336987 /nfs/dbraw/zinc/33/69/87/452336987.db2.gz CDCUQTCHHAUIQC-MRXNPFEDSA-N 2 1 334.464 1.132 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652144178 452338459 /nfs/dbraw/zinc/33/84/59/452338459.db2.gz YETAAHSDPWUGES-XHSDSOJGSA-N 2 1 335.452 1.119 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652144175 452338721 /nfs/dbraw/zinc/33/87/21/452338721.db2.gz YETAAHSDPWUGES-ARFHVFGLSA-N 2 1 335.452 1.119 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1)[NH+]1CCOCC1 ZINC000638058921 452347109 /nfs/dbraw/zinc/34/71/09/452347109.db2.gz CTNHDSSOHCJLHS-BQFCYCMXSA-N 2 1 341.496 1.007 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)CC1=CCSC1 ZINC000665765006 452352299 /nfs/dbraw/zinc/35/22/99/452352299.db2.gz XKFCPTJXWRNOJN-AWEZNQCLSA-N 2 1 328.526 1.573 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)CC1=CCSC1 ZINC000665765006 452352309 /nfs/dbraw/zinc/35/23/09/452352309.db2.gz XKFCPTJXWRNOJN-AWEZNQCLSA-N 2 1 328.526 1.573 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000652164956 452359074 /nfs/dbraw/zinc/35/90/74/452359074.db2.gz BHSLUZJAEVCDBH-UHFFFAOYSA-N 2 1 330.436 1.205 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000657594436 452359445 /nfs/dbraw/zinc/35/94/45/452359445.db2.gz AJIBAIRGLHSCPH-VAMGGRTRSA-N 3 1 329.488 1.970 20 0 EDADMP O[C@@H]1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000657594436 452359455 /nfs/dbraw/zinc/35/94/55/452359455.db2.gz AJIBAIRGLHSCPH-VAMGGRTRSA-N 3 1 329.488 1.970 20 0 EDADMP O[C@@H]1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000657594436 452359461 /nfs/dbraw/zinc/35/94/61/452359461.db2.gz AJIBAIRGLHSCPH-VAMGGRTRSA-N 3 1 329.488 1.970 20 0 EDADMP O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000657594436 452359469 /nfs/dbraw/zinc/35/94/69/452359469.db2.gz AJIBAIRGLHSCPH-VAMGGRTRSA-N 2 1 329.488 1.970 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000657594436 452359477 /nfs/dbraw/zinc/35/94/77/452359477.db2.gz AJIBAIRGLHSCPH-VAMGGRTRSA-N 2 1 329.488 1.970 20 0 EDADMP O[C@@H]1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000657594436 452359486 /nfs/dbraw/zinc/35/94/86/452359486.db2.gz AJIBAIRGLHSCPH-VAMGGRTRSA-N 2 1 329.488 1.970 20 0 EDADMP O[C@@H]1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000657594436 452359491 /nfs/dbraw/zinc/35/94/91/452359491.db2.gz AJIBAIRGLHSCPH-VAMGGRTRSA-N 2 1 329.488 1.970 20 0 EDADMP CC[C@H](CNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000638067912 452368938 /nfs/dbraw/zinc/36/89/38/452368938.db2.gz GUVYJPMZCHSDQO-GGPKGHCWSA-N 2 1 345.487 1.707 20 0 EDADMP CC[C@@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000638069595 452374073 /nfs/dbraw/zinc/37/40/73/452374073.db2.gz RBSJDHCVKGGYCD-AZUAARDMSA-N 2 1 345.487 1.695 20 0 EDADMP [NH3+]C[C@@]1(C(=O)N2CC[NH+](CCc3cccs3)CC2)CCCOC1 ZINC000638070224 452375566 /nfs/dbraw/zinc/37/55/66/452375566.db2.gz XBHTZBDQTFJPKF-KRWDZBQOSA-N 2 1 337.489 1.190 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638072081 452380519 /nfs/dbraw/zinc/38/05/19/452380519.db2.gz PNHQYKANQHPWDA-CQSZACIVSA-N 2 1 347.381 1.790 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638075075 452385182 /nfs/dbraw/zinc/38/51/82/452385182.db2.gz QFZOTKSMXOMKJD-CQSZACIVSA-N 2 1 326.444 1.832 20 0 EDADMP CN(C(=O)c1cnc(C[NH3+])nc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638076193 452390059 /nfs/dbraw/zinc/39/00/59/452390059.db2.gz WMNGRGJKLYOSIQ-KRWDZBQOSA-N 2 1 339.443 1.672 20 0 EDADMP CCN(C(=O)CN1CC[NH2+]CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000638080236 452396054 /nfs/dbraw/zinc/39/60/54/452396054.db2.gz SXRQMYWTJPIACC-HKUYNNGSSA-N 2 1 344.503 1.576 20 0 EDADMP O=C1CC[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC[C@H]2N1 ZINC000661595779 452398750 /nfs/dbraw/zinc/39/87/50/452398750.db2.gz DXLBWMYRWQDHFZ-RBUKOAKNSA-N 2 1 343.471 1.619 20 0 EDADMP O=C1CC[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC[C@H]2N1 ZINC000661595779 452398758 /nfs/dbraw/zinc/39/87/58/452398758.db2.gz DXLBWMYRWQDHFZ-RBUKOAKNSA-N 2 1 343.471 1.619 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000663665607 452404986 /nfs/dbraw/zinc/40/49/86/452404986.db2.gz IYGHERLLUSCZJK-DOTOQJQBSA-N 2 1 348.491 1.561 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000663665607 452404997 /nfs/dbraw/zinc/40/49/97/452404997.db2.gz IYGHERLLUSCZJK-DOTOQJQBSA-N 2 1 348.491 1.561 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)CC1 ZINC000640096658 452420620 /nfs/dbraw/zinc/42/06/20/452420620.db2.gz WORHTMBXENBWHG-KURKYZTESA-N 2 1 337.508 1.601 20 0 EDADMP C[C@@H](C(=O)NCCCCN1CC[NH+](C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000645478885 452449745 /nfs/dbraw/zinc/44/97/45/452449745.db2.gz SYIAORZIIXBEDQ-SJLPKXTDSA-N 2 1 332.492 1.466 20 0 EDADMP C[C@H]1CN(C(=O)NCc2ccc(C[NH3+])cc2F)CC[N@H+](C2CC2)C1 ZINC000652269983 452459422 /nfs/dbraw/zinc/45/94/22/452459422.db2.gz PPCJFNYBOMQYRW-CYBMUJFWSA-N 2 1 334.439 1.910 20 0 EDADMP O=C(NCC12CC(C1)C[NH2+]2)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000659612168 452469046 /nfs/dbraw/zinc/46/90/46/452469046.db2.gz UGTCYTPYFSCFDW-AGYKMIKPSA-N 2 1 340.471 1.654 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659627194 452484818 /nfs/dbraw/zinc/48/48/18/452484818.db2.gz RODBTBJMVXWPBT-QGZVFWFLSA-N 2 1 347.507 1.181 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659627194 452484822 /nfs/dbraw/zinc/48/48/22/452484822.db2.gz RODBTBJMVXWPBT-QGZVFWFLSA-N 2 1 347.507 1.181 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654438420 452500060 /nfs/dbraw/zinc/50/00/60/452500060.db2.gz CRDTXCLVFNCPRZ-NCOADZHNSA-N 2 1 340.512 1.658 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654438420 452500069 /nfs/dbraw/zinc/50/00/69/452500069.db2.gz CRDTXCLVFNCPRZ-NCOADZHNSA-N 2 1 340.512 1.658 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654438420 452500076 /nfs/dbraw/zinc/50/00/76/452500076.db2.gz CRDTXCLVFNCPRZ-NCOADZHNSA-N 2 1 340.512 1.658 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654438420 452500087 /nfs/dbraw/zinc/50/00/87/452500087.db2.gz CRDTXCLVFNCPRZ-NCOADZHNSA-N 2 1 340.512 1.658 20 0 EDADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346919 452521763 /nfs/dbraw/zinc/52/17/63/452521763.db2.gz LJRYJSLRHVRYKW-MPTYRVRUSA-N 2 1 325.497 1.898 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351497 452529945 /nfs/dbraw/zinc/52/99/45/452529945.db2.gz AXYORJDPGVFDOU-HKUYNNGSSA-N 2 1 331.460 1.510 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351497 452529953 /nfs/dbraw/zinc/52/99/53/452529953.db2.gz AXYORJDPGVFDOU-HKUYNNGSSA-N 2 1 331.460 1.510 20 0 EDADMP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000652354727 452531702 /nfs/dbraw/zinc/53/17/02/452531702.db2.gz GJFDIGPGFFNZOY-QAPCUYQASA-N 2 1 333.476 1.899 20 0 EDADMP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000652354727 452531709 /nfs/dbraw/zinc/53/17/09/452531709.db2.gz GJFDIGPGFFNZOY-QAPCUYQASA-N 2 1 333.476 1.899 20 0 EDADMP CC(C)C[C@H]([NH2+]Cc1cc2n(n1)CCCC2)C(=O)NCC[NH+](C)C ZINC000655751229 452558057 /nfs/dbraw/zinc/55/80/57/452558057.db2.gz IYOHLSGYPOWZRL-KRWDZBQOSA-N 2 1 335.496 1.402 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654487536 452558875 /nfs/dbraw/zinc/55/88/75/452558875.db2.gz LRMRYTWWAPBGNP-NXOAAHMSSA-N 2 1 340.512 1.658 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)CC1 ZINC000657838221 452559714 /nfs/dbraw/zinc/55/97/14/452559714.db2.gz PDHDWKFJNMPSMT-GOSISDBHSA-N 2 1 343.471 1.875 20 0 EDADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834884 452570686 /nfs/dbraw/zinc/57/06/86/452570686.db2.gz DFEVKKREHJVZAR-DLBZAZTESA-N 2 1 332.492 1.398 20 0 EDADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834884 452570691 /nfs/dbraw/zinc/57/06/91/452570691.db2.gz DFEVKKREHJVZAR-DLBZAZTESA-N 2 1 332.492 1.398 20 0 EDADMP CC(C)([NH3+])CC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000645593206 452574442 /nfs/dbraw/zinc/57/44/42/452574442.db2.gz SHLXONREMCNYCI-UHFFFAOYSA-N 2 1 346.519 1.828 20 0 EDADMP CCN(C(=O)NC1CC[NH+](CCCOC)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000663938027 452659618 /nfs/dbraw/zinc/65/96/18/452659618.db2.gz VTRPCVCFOUIMOI-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H](CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655907539 452665098 /nfs/dbraw/zinc/66/50/98/452665098.db2.gz KWVGQJHGMJRAIW-MELADBBJSA-N 2 1 347.463 1.347 20 0 EDADMP C[C@@H](CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655907539 452665105 /nfs/dbraw/zinc/66/51/05/452665105.db2.gz KWVGQJHGMJRAIW-MELADBBJSA-N 2 1 347.463 1.347 20 0 EDADMP [NH3+]C[C@@H](NC(=O)N1CC[NH+](CCc2ccccc2)CC1)C(F)(F)F ZINC000655914340 452675018 /nfs/dbraw/zinc/67/50/18/452675018.db2.gz XROCXFXGMDNYMG-CQSZACIVSA-N 2 1 344.381 1.446 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655931155 452699767 /nfs/dbraw/zinc/69/97/67/452699767.db2.gz WQBMHEWNMQXLRB-ZDUSSCGKSA-N 2 1 330.354 1.402 20 0 EDADMP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000647962088 452704789 /nfs/dbraw/zinc/70/47/89/452704789.db2.gz MRAUMHRQCJCWCM-ZGBFETHSSA-N 2 1 347.503 1.257 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000647962088 452704792 /nfs/dbraw/zinc/70/47/92/452704792.db2.gz MRAUMHRQCJCWCM-ZGBFETHSSA-N 2 1 347.503 1.257 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000647960758 452705469 /nfs/dbraw/zinc/70/54/69/452705469.db2.gz HITIOWHUCSBSTM-BRWVUGGUSA-N 2 1 327.513 1.704 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000647960758 452705474 /nfs/dbraw/zinc/70/54/74/452705474.db2.gz HITIOWHUCSBSTM-BRWVUGGUSA-N 2 1 327.513 1.704 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000647960758 452705487 /nfs/dbraw/zinc/70/54/87/452705487.db2.gz HITIOWHUCSBSTM-BRWVUGGUSA-N 2 1 327.513 1.704 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000647960758 452705492 /nfs/dbraw/zinc/70/54/92/452705492.db2.gz HITIOWHUCSBSTM-BRWVUGGUSA-N 2 1 327.513 1.704 20 0 EDADMP CC[N@H+](C)C[C@@H](O)CN1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000647962842 452708459 /nfs/dbraw/zinc/70/84/59/452708459.db2.gz WEZBLFBITVQTTQ-SJLPKXTDSA-N 2 1 335.492 1.686 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000647962842 452708468 /nfs/dbraw/zinc/70/84/68/452708468.db2.gz WEZBLFBITVQTTQ-SJLPKXTDSA-N 2 1 335.492 1.686 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000661954668 452715382 /nfs/dbraw/zinc/71/53/82/452715382.db2.gz YIAKRQFIHQNGPB-KRWDZBQOSA-N 2 1 340.512 1.659 20 0 EDADMP [NH3+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655958755 452738807 /nfs/dbraw/zinc/73/88/07/452738807.db2.gz OPFWBZFGXITVKT-HOTGVXAUSA-N 2 1 330.432 1.217 20 0 EDADMP C[N@H+]1C[C@@H](C[NH2+]C[C@@H]2CNc3ccnn3C2)[C@H](c2ccccc2)C1 ZINC000648068405 452798620 /nfs/dbraw/zinc/79/86/20/452798620.db2.gz WQDLZKVMOJIXRV-NXHRZFHOSA-N 2 1 325.460 1.860 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[NH2+]C ZINC000652686548 452835685 /nfs/dbraw/zinc/83/56/85/452835685.db2.gz JPJMPPMJKAZWTG-QGZVFWFLSA-N 2 1 346.475 1.013 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000648147660 452858908 /nfs/dbraw/zinc/85/89/08/452858908.db2.gz AIPKTCMBFVMKSK-CABCVRRESA-N 2 1 334.464 1.611 20 0 EDADMP C[C@H]1C[C@@H](CCNC(=O)COC2(C)C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000648168006 452877328 /nfs/dbraw/zinc/87/73/28/452877328.db2.gz MVEOJCJONPWTIW-FUHWJXTLSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@]1(C)CO ZINC000662146647 452880655 /nfs/dbraw/zinc/88/06/55/452880655.db2.gz STRWXFOGCRAMDA-SZVBFZGTSA-N 2 1 333.476 1.356 20 0 EDADMP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000645977540 452964402 /nfs/dbraw/zinc/96/44/02/452964402.db2.gz GAAWDSAGYPHWLH-BRWVUGGUSA-N 2 1 336.524 1.297 20 0 EDADMP C[C@H](CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000645977540 452964411 /nfs/dbraw/zinc/96/44/11/452964411.db2.gz GAAWDSAGYPHWLH-BRWVUGGUSA-N 2 1 336.524 1.297 20 0 EDADMP CC[N@@H+](CC(=O)Nc1cccc(OC)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249242 452972934 /nfs/dbraw/zinc/97/29/34/452972934.db2.gz KKQMYNYUPNWMEG-MRXNPFEDSA-N 2 1 333.432 1.477 20 0 EDADMP CC[N@H+](CC(=O)Nc1cccc(OC)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249242 452972940 /nfs/dbraw/zinc/97/29/40/452972940.db2.gz KKQMYNYUPNWMEG-MRXNPFEDSA-N 2 1 333.432 1.477 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656273759 453003195 /nfs/dbraw/zinc/00/31/95/453003195.db2.gz QLJOKSKTOCPZIR-RBUKOAKNSA-N 2 1 331.504 1.895 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656273759 453003201 /nfs/dbraw/zinc/00/32/01/453003201.db2.gz QLJOKSKTOCPZIR-RBUKOAKNSA-N 2 1 331.504 1.895 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656273759 453003206 /nfs/dbraw/zinc/00/32/06/453003206.db2.gz QLJOKSKTOCPZIR-RBUKOAKNSA-N 2 1 331.504 1.895 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CCC1 ZINC000662280620 453005195 /nfs/dbraw/zinc/00/51/95/453005195.db2.gz GGXZAEUBZSOIRH-GVDBMIGSSA-N 2 1 336.480 1.022 20 0 EDADMP OCC1([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC[NH2+]CC1 ZINC000662285989 453010412 /nfs/dbraw/zinc/01/04/12/453010412.db2.gz DYXCJPMCCCULJG-UHFFFAOYSA-N 2 1 327.428 1.865 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662294675 453016447 /nfs/dbraw/zinc/01/64/47/453016447.db2.gz RROPCYGAZZJICQ-FUHWJXTLSA-N 2 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662294675 453016453 /nfs/dbraw/zinc/01/64/53/453016453.db2.gz RROPCYGAZZJICQ-FUHWJXTLSA-N 3 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662294675 453016464 /nfs/dbraw/zinc/01/64/64/453016464.db2.gz RROPCYGAZZJICQ-FUHWJXTLSA-N 3 1 336.524 1.251 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)[N@H+]1CCCC[C@H]1C ZINC000666627445 453019421 /nfs/dbraw/zinc/01/94/21/453019421.db2.gz RSWQFGLOFKHJNB-ZIAGYGMSSA-N 2 1 332.448 1.463 20 0 EDADMP CO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664361820 453032533 /nfs/dbraw/zinc/03/25/33/453032533.db2.gz KQJQRYKVNXQBHQ-RRFJBIMHSA-N 2 1 328.501 1.371 20 0 EDADMP CO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664361820 453032543 /nfs/dbraw/zinc/03/25/43/453032543.db2.gz KQJQRYKVNXQBHQ-RRFJBIMHSA-N 2 1 328.501 1.371 20 0 EDADMP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662318556 453033593 /nfs/dbraw/zinc/03/35/93/453033593.db2.gz BLNMKFVVFVTCKF-PKOBYXMFSA-N 2 1 336.476 1.777 20 0 EDADMP Cc1cccc(OC[C@@H](O)C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662318556 453033600 /nfs/dbraw/zinc/03/36/00/453033600.db2.gz BLNMKFVVFVTCKF-PKOBYXMFSA-N 2 1 336.476 1.777 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000662364810 453075803 /nfs/dbraw/zinc/07/58/03/453075803.db2.gz MBLYBXFLWRQJPR-MGPQQGTHSA-N 2 1 349.479 1.104 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000662367096 453078989 /nfs/dbraw/zinc/07/89/89/453078989.db2.gz VTLZBCUEYAOMFQ-MSOLQXFVSA-N 2 1 331.460 1.857 20 0 EDADMP [NH3+][C@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(F)cc1F ZINC000662407649 453117877 /nfs/dbraw/zinc/11/78/77/453117877.db2.gz GYMSMSNEBRWOAV-INIZCTEOSA-N 2 1 347.369 1.408 20 0 EDADMP C[C@H](NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000644196352 453125707 /nfs/dbraw/zinc/12/57/07/453125707.db2.gz BKQKZXZXRGOKHQ-YQQAZPJKSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000644196352 453125718 /nfs/dbraw/zinc/12/57/18/453125718.db2.gz BKQKZXZXRGOKHQ-YQQAZPJKSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000644196352 453125730 /nfs/dbraw/zinc/12/57/30/453125730.db2.gz BKQKZXZXRGOKHQ-YQQAZPJKSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000644196352 453125743 /nfs/dbraw/zinc/12/57/43/453125743.db2.gz BKQKZXZXRGOKHQ-YQQAZPJKSA-N 2 1 338.496 1.221 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662429473 453137038 /nfs/dbraw/zinc/13/70/38/453137038.db2.gz LTFXKKHXOCOBNI-MRXNPFEDSA-N 2 1 348.495 1.587 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1CC(C)(C)O ZINC000656380347 453150024 /nfs/dbraw/zinc/15/00/24/453150024.db2.gz IBZZURJAZXHDGS-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000656380347 453150029 /nfs/dbraw/zinc/15/00/29/453150029.db2.gz IBZZURJAZXHDGS-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000656380347 453150039 /nfs/dbraw/zinc/15/00/39/453150039.db2.gz IBZZURJAZXHDGS-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc([C@@H]([NH3+])c3ccccc3)nn2)C1 ZINC000656448913 453190438 /nfs/dbraw/zinc/19/04/38/453190438.db2.gz PQFQMFHOZCIFLM-WMZOPIPTSA-N 2 1 329.448 1.683 20 0 EDADMP O=C(COc1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1)NCC1CC1 ZINC000666856620 453192785 /nfs/dbraw/zinc/19/27/85/453192785.db2.gz USKYBMJBHDFQQH-QGZVFWFLSA-N 2 1 331.460 1.823 20 0 EDADMP CO[C@H]1CCC[C@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664583776 453219694 /nfs/dbraw/zinc/21/96/94/453219694.db2.gz GCLVADHPVKZORM-JYJNAYRXSA-N 2 1 328.501 1.373 20 0 EDADMP CO[C@H]1CCC[C@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664583776 453219701 /nfs/dbraw/zinc/21/97/01/453219701.db2.gz GCLVADHPVKZORM-JYJNAYRXSA-N 2 1 328.501 1.373 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000666925352 453251723 /nfs/dbraw/zinc/25/17/23/453251723.db2.gz WUJARBACPFNQNO-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP C[NH+](C)CCOCCNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662535619 453258474 /nfs/dbraw/zinc/25/84/74/453258474.db2.gz MMICEQFYIMJZER-ZDUSSCGKSA-N 2 1 344.253 1.143 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc1 ZINC000653108588 453290951 /nfs/dbraw/zinc/29/09/51/453290951.db2.gz AROMXVRFJITGND-QFBILLFUSA-N 2 1 346.519 1.956 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000653108313 453291312 /nfs/dbraw/zinc/29/13/12/453291312.db2.gz RVIQYGZENMMGHC-IRXDYDNUSA-N 2 1 325.497 1.629 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666974482 453292539 /nfs/dbraw/zinc/29/25/39/453292539.db2.gz RGUBUASVCYCPFS-OIISXLGYSA-N 2 1 338.496 1.221 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000653113737 453300841 /nfs/dbraw/zinc/30/08/41/453300841.db2.gz MXCKQGRFJBKHGV-HNNXBMFYSA-N 2 1 325.403 1.651 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000653113737 453300852 /nfs/dbraw/zinc/30/08/52/453300852.db2.gz MXCKQGRFJBKHGV-HNNXBMFYSA-N 2 1 325.403 1.651 20 0 EDADMP C[C@@H](c1ccc(NC(=O)[C@H](N)CC[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000653117899 453307057 /nfs/dbraw/zinc/30/70/57/453307057.db2.gz YSTOGPGGYSPCBA-WMLDXEAASA-N 2 1 334.464 1.297 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[N@H+]1Cc1ccccc1 ZINC000653122338 453313242 /nfs/dbraw/zinc/31/32/42/453313242.db2.gz UFWUDDOHOLGGGD-RMRDIRSESA-N 2 1 329.444 1.002 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000648841602 453321455 /nfs/dbraw/zinc/32/14/55/453321455.db2.gz FDDBVNNPZDALDX-OAHLLOKOSA-N 2 1 336.480 1.702 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000648841602 453321465 /nfs/dbraw/zinc/32/14/65/453321465.db2.gz FDDBVNNPZDALDX-OAHLLOKOSA-N 2 1 336.480 1.702 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H](N)CC[NH+](C)C)CC2)cc1 ZINC000653148057 453333589 /nfs/dbraw/zinc/33/35/89/453333589.db2.gz MSTCSQKHNPDMRH-GOSISDBHSA-N 2 1 348.491 1.009 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653151708 453340792 /nfs/dbraw/zinc/34/07/92/453340792.db2.gz POHGKWZVPJONDH-FUHWJXTLSA-N 2 1 332.492 1.388 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646384618 453359566 /nfs/dbraw/zinc/35/95/66/453359566.db2.gz LQJCZSIWFZUJLO-RBSFLKMASA-N 2 1 331.464 1.338 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000648914237 453393903 /nfs/dbraw/zinc/39/39/03/453393903.db2.gz WDNLYUDHQYBIFV-OWCLPIDISA-N 2 1 334.464 1.718 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCO[C@@H]2CC[N@H+](CC)C[C@@H]21 ZINC000648914237 453393914 /nfs/dbraw/zinc/39/39/14/453393914.db2.gz WDNLYUDHQYBIFV-OWCLPIDISA-N 2 1 334.464 1.718 20 0 EDADMP CC1(C)CC[NH2+][C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000662685244 453406902 /nfs/dbraw/zinc/40/69/02/453406902.db2.gz RAFKZGMBEHAFPP-HOTGVXAUSA-N 2 1 344.459 1.463 20 0 EDADMP CC1(C)CC[NH2+][C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000662685244 453406907 /nfs/dbraw/zinc/40/69/07/453406907.db2.gz RAFKZGMBEHAFPP-HOTGVXAUSA-N 2 1 344.459 1.463 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662696129 453417162 /nfs/dbraw/zinc/41/71/62/453417162.db2.gz TYJWTBGOHKTKNL-KRWDZBQOSA-N 2 1 344.503 1.846 20 0 EDADMP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662705927 453428344 /nfs/dbraw/zinc/42/83/44/453428344.db2.gz WHASXSMGZBMBRS-YFHUEUNASA-N 2 1 335.492 1.654 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CCO1 ZINC000664854307 453448299 /nfs/dbraw/zinc/44/82/99/453448299.db2.gz QGHRGUTXRGIFLZ-MRXNPFEDSA-N 2 1 349.479 1.472 20 0 EDADMP CCCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000649000278 453467936 /nfs/dbraw/zinc/46/79/36/453467936.db2.gz SLSAOTNXJAKIQG-QGZVFWFLSA-N 2 1 337.508 1.964 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662741018 453468060 /nfs/dbraw/zinc/46/80/60/453468060.db2.gz BXILQHHVKSYBIF-KURKYZTESA-N 2 1 330.476 1.046 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662741018 453468067 /nfs/dbraw/zinc/46/80/67/453468067.db2.gz BXILQHHVKSYBIF-KURKYZTESA-N 2 1 330.476 1.046 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664889513 453468360 /nfs/dbraw/zinc/46/83/60/453468360.db2.gz NQGGRGSTBVLYSY-DLBZAZTESA-N 2 1 338.496 1.101 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664889513 453468370 /nfs/dbraw/zinc/46/83/70/453468370.db2.gz NQGGRGSTBVLYSY-DLBZAZTESA-N 2 1 338.496 1.101 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664889513 453468379 /nfs/dbraw/zinc/46/83/79/453468379.db2.gz NQGGRGSTBVLYSY-DLBZAZTESA-N 2 1 338.496 1.101 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662745132 453474631 /nfs/dbraw/zinc/47/46/31/453474631.db2.gz VFTGMMXXMAQHEM-QYZOEREBSA-N 2 1 344.503 1.307 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662745132 453474636 /nfs/dbraw/zinc/47/46/36/453474636.db2.gz VFTGMMXXMAQHEM-QYZOEREBSA-N 2 1 344.503 1.307 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662749404 453480739 /nfs/dbraw/zinc/48/07/39/453480739.db2.gz LJIZQHNDYXDBPP-HUUCEWRRSA-N 2 1 334.468 1.007 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(C(C)(C)N)no1 ZINC000662785759 453518869 /nfs/dbraw/zinc/51/88/69/453518869.db2.gz JZZVIABSASDTGH-UHFFFAOYSA-N 2 1 339.484 1.214 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1cc[nH]c(=O)c1 ZINC000664963059 453519878 /nfs/dbraw/zinc/51/98/78/453519878.db2.gz VCDSOZFAGRWCAN-UONOGXRCSA-N 2 1 337.468 1.419 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1cc[nH]c(=O)c1 ZINC000664963059 453519884 /nfs/dbraw/zinc/51/98/84/453519884.db2.gz VCDSOZFAGRWCAN-UONOGXRCSA-N 2 1 337.468 1.419 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000662798947 453533371 /nfs/dbraw/zinc/53/33/71/453533371.db2.gz HPDHUWZNEUOGOU-FGTMMUONSA-N 2 1 331.460 1.473 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NCC1CC[NH+](CC2CC2)CC1 ZINC000660827710 453591488 /nfs/dbraw/zinc/59/14/88/453591488.db2.gz SGZAKPFEHJVBJX-QGZVFWFLSA-N 2 1 334.508 1.892 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000660827849 453591683 /nfs/dbraw/zinc/59/16/83/453591683.db2.gz UCMBTBDFCCRKAZ-SJORKVTESA-N 2 1 334.508 1.892 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660827849 453591686 /nfs/dbraw/zinc/59/16/86/453591686.db2.gz UCMBTBDFCCRKAZ-SJORKVTESA-N 2 1 334.508 1.892 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660827849 453591690 /nfs/dbraw/zinc/59/16/90/453591690.db2.gz UCMBTBDFCCRKAZ-SJORKVTESA-N 2 1 334.508 1.892 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1COCc2ccccc21 ZINC000665160282 453596875 /nfs/dbraw/zinc/59/68/75/453596875.db2.gz HDHOWEASWUZLDP-YJBOKZPZSA-N 2 1 348.491 1.829 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1COCc2ccccc21 ZINC000665160282 453596877 /nfs/dbraw/zinc/59/68/77/453596877.db2.gz HDHOWEASWUZLDP-YJBOKZPZSA-N 2 1 348.491 1.829 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660837365 453598557 /nfs/dbraw/zinc/59/85/57/453598557.db2.gz KRIWDUSGKPOUKD-OAHLLOKOSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000660934328 453652225 /nfs/dbraw/zinc/65/22/25/453652225.db2.gz PORHNKFPXQUIKK-XIRDDKMYSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000660934328 453652227 /nfs/dbraw/zinc/65/22/27/453652227.db2.gz PORHNKFPXQUIKK-XIRDDKMYSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000660934328 453652231 /nfs/dbraw/zinc/65/22/31/453652231.db2.gz PORHNKFPXQUIKK-XIRDDKMYSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000660934328 453652233 /nfs/dbraw/zinc/65/22/33/453652233.db2.gz PORHNKFPXQUIKK-XIRDDKMYSA-N 2 1 338.496 1.127 20 0 EDADMP Cn1nccc1[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657144014 453703798 /nfs/dbraw/zinc/70/37/98/453703798.db2.gz URADMYYAUBCWCS-GOSISDBHSA-N 2 1 344.459 1.718 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCCc2n[nH]cc2C1 ZINC000663214916 453728113 /nfs/dbraw/zinc/72/81/13/453728113.db2.gz MIOWETNPPBAHCM-AWEZNQCLSA-N 2 1 336.484 1.140 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCCc2n[nH]cc2C1 ZINC000663214916 453728115 /nfs/dbraw/zinc/72/81/15/453728115.db2.gz MIOWETNPPBAHCM-AWEZNQCLSA-N 2 1 336.484 1.140 20 0 EDADMP Nc1ccc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cn1 ZINC000663511471 453812859 /nfs/dbraw/zinc/81/28/59/453812859.db2.gz KAUISGCHWHYLMX-OAHLLOKOSA-N 2 1 341.463 1.176 20 0 EDADMP C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676242712 486702123 /nfs/dbraw/zinc/70/21/23/486702123.db2.gz ZVWJUZZRWVBOMI-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676242712 486702127 /nfs/dbraw/zinc/70/21/27/486702127.db2.gz ZVWJUZZRWVBOMI-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000683390064 486703959 /nfs/dbraw/zinc/70/39/59/486703959.db2.gz SEHJEGRKYCLZNL-GOSISDBHSA-N 2 1 343.475 1.930 20 0 EDADMP CC[C@H](NC(=O)N(C)CC[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417899306 486815457 /nfs/dbraw/zinc/81/54/57/486815457.db2.gz SRNCHBDCAXZLTM-ROUUACIJSA-N 2 1 348.491 1.527 20 0 EDADMP CC[C@H](NC(=O)N(C)CC[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417899306 486815462 /nfs/dbraw/zinc/81/54/62/486815462.db2.gz SRNCHBDCAXZLTM-ROUUACIJSA-N 2 1 348.491 1.527 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683769163 486815630 /nfs/dbraw/zinc/81/56/30/486815630.db2.gz QDQIWASLQMIGLM-SFHVURJKSA-N 2 1 326.444 1.912 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCCC3(F)F)C2)CC1 ZINC000672874891 486825747 /nfs/dbraw/zinc/82/57/47/486825747.db2.gz ZASNLEUOGOECKA-TZMCWYRMSA-N 2 1 330.423 1.642 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@@H]3CCCC3(F)F)C2)CC1 ZINC000672874891 486825749 /nfs/dbraw/zinc/82/57/49/486825749.db2.gz ZASNLEUOGOECKA-TZMCWYRMSA-N 2 1 330.423 1.642 20 0 EDADMP C[NH2+]CCN(C)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418082098 486824482 /nfs/dbraw/zinc/82/44/82/486824482.db2.gz WOLRKVIVQDHNNB-INIZCTEOSA-N 2 1 336.505 1.465 20 0 EDADMP C[NH2+]CCN(C)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418082098 486824487 /nfs/dbraw/zinc/82/44/87/486824487.db2.gz WOLRKVIVQDHNNB-INIZCTEOSA-N 2 1 336.505 1.465 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C1 ZINC000684116507 486950082 /nfs/dbraw/zinc/95/00/82/486950082.db2.gz HNMXYABPCFEPAQ-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000684116507 486950083 /nfs/dbraw/zinc/95/00/83/486950083.db2.gz HNMXYABPCFEPAQ-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000684116507 486950085 /nfs/dbraw/zinc/95/00/85/486950085.db2.gz HNMXYABPCFEPAQ-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+](CCO)C(C)(C)C1)C1CCCCC1 ZINC000684165767 486963837 /nfs/dbraw/zinc/96/38/37/486963837.db2.gz JYAANCUQLYKNSB-UHFFFAOYSA-N 2 1 325.497 1.556 20 0 EDADMP C[NH+](CCC(=O)N1CC[N@H+](CCO)C(C)(C)C1)C1CCCCC1 ZINC000684165767 486963844 /nfs/dbraw/zinc/96/38/44/486963844.db2.gz JYAANCUQLYKNSB-UHFFFAOYSA-N 2 1 325.497 1.556 20 0 EDADMP C[NH+](CCC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C1CCCCC1 ZINC000684165767 486963846 /nfs/dbraw/zinc/96/38/46/486963846.db2.gz JYAANCUQLYKNSB-UHFFFAOYSA-N 2 1 325.497 1.556 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc2n1CCC2 ZINC000667811191 486977146 /nfs/dbraw/zinc/97/71/46/486977146.db2.gz GFODCJFGJTWCFN-HNNXBMFYSA-N 2 1 333.480 1.317 20 0 EDADMP CN(C(=O)N[C@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681219125 486977215 /nfs/dbraw/zinc/97/72/15/486977215.db2.gz URIKUBWPTCDNBE-YJBOKZPZSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000681219125 486977221 /nfs/dbraw/zinc/97/72/21/486977221.db2.gz URIKUBWPTCDNBE-YJBOKZPZSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000681219125 486977225 /nfs/dbraw/zinc/97/72/25/486977225.db2.gz URIKUBWPTCDNBE-YJBOKZPZSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681219125 486977228 /nfs/dbraw/zinc/97/72/28/486977228.db2.gz URIKUBWPTCDNBE-YJBOKZPZSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681219125 486977232 /nfs/dbraw/zinc/97/72/32/486977232.db2.gz URIKUBWPTCDNBE-YJBOKZPZSA-N 2 1 349.523 1.033 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000667812839 486978169 /nfs/dbraw/zinc/97/81/69/486978169.db2.gz YJGNHLWUBWZKDG-GVDBMIGSSA-N 2 1 347.507 1.398 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCC[NH+](C)C ZINC000681765099 487161865 /nfs/dbraw/zinc/16/18/65/487161865.db2.gz WPNUTSYRFOLMTJ-HXUWFJFHSA-N 2 1 347.503 1.814 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CN1CC[NH+](C)CC1 ZINC000674097713 487198381 /nfs/dbraw/zinc/19/83/81/487198381.db2.gz CTYPIZYJTDAGOG-IEBWSBKVSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CN1CC[NH+](C)CC1 ZINC000674097713 487198385 /nfs/dbraw/zinc/19/83/85/487198385.db2.gz CTYPIZYJTDAGOG-IEBWSBKVSA-N 2 1 344.503 1.261 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@H]3CNc4ccnn4C3)CC2)nc(C)[nH+]1 ZINC000674231875 487219551 /nfs/dbraw/zinc/21/95/51/487219551.db2.gz JSGFJYUWHUZPNM-HNNXBMFYSA-N 2 1 341.463 1.590 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000685560877 487296547 /nfs/dbraw/zinc/29/65/47/487296547.db2.gz AGZBTKGQHTUPDT-FQEVSTJZSA-N 2 1 331.504 1.958 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000685560877 487296550 /nfs/dbraw/zinc/29/65/50/487296550.db2.gz AGZBTKGQHTUPDT-FQEVSTJZSA-N 2 1 331.504 1.958 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000685560877 487296554 /nfs/dbraw/zinc/29/65/54/487296554.db2.gz AGZBTKGQHTUPDT-FQEVSTJZSA-N 2 1 331.504 1.958 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000685570942 487297181 /nfs/dbraw/zinc/29/71/81/487297181.db2.gz RPSWTCVWUIJTDQ-HNNXBMFYSA-N 2 1 325.416 1.498 20 0 EDADMP COC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCOCC1 ZINC000682134545 487308500 /nfs/dbraw/zinc/30/85/00/487308500.db2.gz YLSSTYCBQKALJG-MSOLQXFVSA-N 2 1 326.481 1.661 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000669528896 485503523 /nfs/dbraw/zinc/50/35/23/485503523.db2.gz PUXQFOCXUSZJPO-ATLSCFEFSA-N 2 1 346.475 1.407 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669534147 485511748 /nfs/dbraw/zinc/51/17/48/485511748.db2.gz OEEXAOYBOJLCPN-VQHPVUNQSA-N 2 1 336.480 1.023 20 0 EDADMP C[C@H](NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000669538603 485520984 /nfs/dbraw/zinc/52/09/84/485520984.db2.gz ZCYQABUQCMWILX-IMJJTQAJSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@H](NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538603 485520987 /nfs/dbraw/zinc/52/09/87/485520987.db2.gz ZCYQABUQCMWILX-IMJJTQAJSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@H](NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000669538604 485521022 /nfs/dbraw/zinc/52/10/22/485521022.db2.gz ZCYQABUQCMWILX-NUEKZKHPSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@H](NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538604 485521029 /nfs/dbraw/zinc/52/10/29/485521029.db2.gz ZCYQABUQCMWILX-NUEKZKHPSA-N 2 1 338.496 1.125 20 0 EDADMP Cc1ccc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc(=O)n2c1 ZINC000324633148 485581569 /nfs/dbraw/zinc/58/15/69/485581569.db2.gz RNJQAXPWBILOJU-RDJZCZTQSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc(=O)n2c1 ZINC000324633148 485581573 /nfs/dbraw/zinc/58/15/73/485581573.db2.gz RNJQAXPWBILOJU-RDJZCZTQSA-N 2 1 326.444 1.967 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)CC(C)C ZINC000670834428 485834620 /nfs/dbraw/zinc/83/46/20/485834620.db2.gz DZLYZQYDWXDWPC-JKSUJKDBSA-N 2 1 340.512 1.070 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000356603235 485844965 /nfs/dbraw/zinc/84/49/65/485844965.db2.gz QWKVCMDNWIJCDN-JQHSSLGASA-N 2 1 339.524 1.970 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)CC[C@@H]21 ZINC000261607859 485959415 /nfs/dbraw/zinc/95/94/15/485959415.db2.gz CZZGCONZUCXYPE-RUEZSYAVSA-N 2 1 335.492 1.462 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CC3([NH3+])CCC3)C2)cc(OC)c1 ZINC000237304111 485974600 /nfs/dbraw/zinc/97/46/00/485974600.db2.gz QWGQDRWQKVUBJP-OAHLLOKOSA-N 2 1 347.459 1.666 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)CC3([NH3+])CCC3)C2)cc(OC)c1 ZINC000237304111 485974610 /nfs/dbraw/zinc/97/46/10/485974610.db2.gz QWGQDRWQKVUBJP-OAHLLOKOSA-N 2 1 347.459 1.666 20 0 EDADMP O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000668665613 486016079 /nfs/dbraw/zinc/01/60/79/486016079.db2.gz BQAGFRAQEKTTRQ-GOSISDBHSA-N 2 1 328.460 1.870 20 0 EDADMP [NH3+]C/C=C\CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000669398433 486058559 /nfs/dbraw/zinc/05/85/59/486058559.db2.gz BKODQDJTEHZDDT-UPHRSURJSA-N 2 1 338.402 1.743 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669405920 486077895 /nfs/dbraw/zinc/07/78/95/486077895.db2.gz OCQBOMHVFSBBSM-XUWVNRHRSA-N 2 1 340.512 1.501 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CCO1 ZINC000669418532 486137996 /nfs/dbraw/zinc/13/79/96/486137996.db2.gz PDOPPXKCIQCQTN-MPGHIAIKSA-N 2 1 346.475 1.191 20 0 EDADMP [NH3+][C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000669420210 486138861 /nfs/dbraw/zinc/13/88/61/486138861.db2.gz DVXPNBTUPHPXDX-FUHWJXTLSA-N 2 1 330.476 1.935 20 0 EDADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670787175 486218538 /nfs/dbraw/zinc/21/85/38/486218538.db2.gz MLIDQMXGHVATSG-GOSISDBHSA-N 2 1 341.459 1.575 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000669474361 486227851 /nfs/dbraw/zinc/22/78/51/486227851.db2.gz GRTXSEUSPJEKPT-OAGGEKHMSA-N 2 1 340.512 1.645 20 0 EDADMP O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491233 486263900 /nfs/dbraw/zinc/26/39/00/486263900.db2.gz QTFGXOGXXPAYMF-QGZVFWFLSA-N 2 1 331.464 1.345 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)CN2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000137468609 491233491 /nfs/dbraw/zinc/23/34/91/491233491.db2.gz FRVFWGSNYKNDAM-FUHWJXTLSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)CN2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000137468609 491233493 /nfs/dbraw/zinc/23/34/93/491233493.db2.gz FRVFWGSNYKNDAM-FUHWJXTLSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000119209183 490995281 /nfs/dbraw/zinc/99/52/81/490995281.db2.gz MVMYBUMDHQBGGY-LVQVYYBASA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000119209183 490995282 /nfs/dbraw/zinc/99/52/82/490995282.db2.gz MVMYBUMDHQBGGY-LVQVYYBASA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000119209183 490995283 /nfs/dbraw/zinc/99/52/83/490995283.db2.gz MVMYBUMDHQBGGY-LVQVYYBASA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000174728158 534108163 /nfs/dbraw/zinc/10/81/63/534108163.db2.gz VJYPQTHAGGYMRQ-YJBOKZPZSA-N 2 1 331.460 1.659 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000174728158 534108168 /nfs/dbraw/zinc/10/81/68/534108168.db2.gz VJYPQTHAGGYMRQ-YJBOKZPZSA-N 2 1 331.460 1.659 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000183990604 528544125 /nfs/dbraw/zinc/54/41/25/528544125.db2.gz SUNKRFVVKZZTGW-GOSISDBHSA-N 2 1 333.476 1.329 20 0 EDADMP CC[NH+](CCO)CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183990604 528544135 /nfs/dbraw/zinc/54/41/35/528544135.db2.gz SUNKRFVVKZZTGW-GOSISDBHSA-N 2 1 333.476 1.329 20 0 EDADMP CC[NH+](CCO)CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183990604 528544141 /nfs/dbraw/zinc/54/41/41/528544141.db2.gz SUNKRFVVKZZTGW-GOSISDBHSA-N 2 1 333.476 1.329 20 0 EDADMP CCOC[C@H](O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175796824 528996491 /nfs/dbraw/zinc/99/64/91/528996491.db2.gz RZUFHUYGIIWTGD-SOLBZPMBSA-N 2 1 328.497 1.595 20 0 EDADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261890218 535422750 /nfs/dbraw/zinc/42/27/50/535422750.db2.gz GIWWQHNRSGNIDT-RCCFBDPRSA-N 2 1 331.460 1.683 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000236937918 535620896 /nfs/dbraw/zinc/62/08/96/535620896.db2.gz UDOUMPZECBJTSJ-QGZVFWFLSA-N 2 1 344.459 1.084 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000346996091 535715251 /nfs/dbraw/zinc/71/52/51/535715251.db2.gz VMRJXJZBUDHUJU-HZPDHXFCSA-N 2 1 326.529 1.543 20 0 EDADMP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000247022952 535755174 /nfs/dbraw/zinc/75/51/74/535755174.db2.gz WLPSYESYULBANU-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000247022952 535755177 /nfs/dbraw/zinc/75/51/77/535755177.db2.gz WLPSYESYULBANU-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000247022952 535755182 /nfs/dbraw/zinc/75/51/82/535755182.db2.gz WLPSYESYULBANU-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000247022952 535755184 /nfs/dbraw/zinc/75/51/84/535755184.db2.gz WLPSYESYULBANU-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261660016 535875464 /nfs/dbraw/zinc/87/54/64/535875464.db2.gz BDBZMIGTFMMSEE-RHSMWYFYSA-N 2 1 334.464 1.626 20 0 EDADMP C[N@H+]1CC=C(CNC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000271897274 536332741 /nfs/dbraw/zinc/33/27/41/536332741.db2.gz FZUTWSKQROJRHW-LJQANCHMSA-N 2 1 343.471 1.656 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000271897274 536332745 /nfs/dbraw/zinc/33/27/45/536332745.db2.gz FZUTWSKQROJRHW-LJQANCHMSA-N 2 1 343.471 1.656 20 0 EDADMP C[NH+]1CC=C(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000271897274 536332747 /nfs/dbraw/zinc/33/27/47/536332747.db2.gz FZUTWSKQROJRHW-LJQANCHMSA-N 2 1 343.471 1.656 20 0 EDADMP C[NH+]1CC=C(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000271897274 536332749 /nfs/dbraw/zinc/33/27/49/536332749.db2.gz FZUTWSKQROJRHW-LJQANCHMSA-N 2 1 343.471 1.656 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261667937 536372203 /nfs/dbraw/zinc/37/22/03/536372203.db2.gz CLUUWNWRSSPNRK-IEBWSBKVSA-N 2 1 344.503 1.642 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000237139404 536372249 /nfs/dbraw/zinc/37/22/49/536372249.db2.gz BASHHIXRSLYDRJ-IBGZPJMESA-N 2 1 330.476 1.267 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333624544 536374716 /nfs/dbraw/zinc/37/47/16/536374716.db2.gz AIEYQJWZPQJJBT-OWCLPIDISA-N 2 1 338.496 1.127 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333624544 536374721 /nfs/dbraw/zinc/37/47/21/536374721.db2.gz AIEYQJWZPQJJBT-OWCLPIDISA-N 2 1 338.496 1.127 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000271042272 536375323 /nfs/dbraw/zinc/37/53/23/536375323.db2.gz RFKMFLMMALBIMZ-LJQANCHMSA-N 2 1 345.487 1.715 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCC([NH2+]CC4CC4)CC3)cn2)CC1 ZINC000347099955 536426183 /nfs/dbraw/zinc/42/61/83/536426183.db2.gz JPZACKSMSUEHTD-UHFFFAOYSA-N 2 1 344.507 1.192 20 0 EDADMP COC1(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000261559206 536539854 /nfs/dbraw/zinc/53/98/54/536539854.db2.gz DPIWKFVVODPPOM-SJLPKXTDSA-N 2 1 345.487 1.782 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C3C[NH2+]C3)C2)cc(OC)c1 ZINC000262418808 536769909 /nfs/dbraw/zinc/76/99/09/536769909.db2.gz RNCATGULFVJMQU-CJNGLKHVSA-N 2 1 347.459 1.250 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C3C[NH2+]C3)C2)cc(OC)c1 ZINC000262418808 536769912 /nfs/dbraw/zinc/76/99/12/536769912.db2.gz RNCATGULFVJMQU-CJNGLKHVSA-N 2 1 347.459 1.250 20 0 EDADMP COC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262222068 536863467 /nfs/dbraw/zinc/86/34/67/536863467.db2.gz FSUZALBQVHCZSN-TUKIKUTGSA-N 2 1 343.830 1.562 20 0 EDADMP COc1ccc2cc(C[N@H+](C)CC(=O)N3CC[NH2+]CC3)ccc2c1 ZINC000261827765 537033591 /nfs/dbraw/zinc/03/35/91/537033591.db2.gz HTUWNRVJMPMSMW-UHFFFAOYSA-N 2 1 327.428 1.712 20 0 EDADMP COc1ccc2cc(C[N@@H+](C)CC(=O)N3CC[NH2+]CC3)ccc2c1 ZINC000261827765 537033595 /nfs/dbraw/zinc/03/35/95/537033595.db2.gz HTUWNRVJMPMSMW-UHFFFAOYSA-N 2 1 327.428 1.712 20 0 EDADMP CCOC(=O)N[C@H]1CCCN(C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000726796624 578361572 /nfs/dbraw/zinc/36/15/72/578361572.db2.gz IDPVIFVGBRYCBA-ZWKOTPCHSA-N 2 1 349.475 1.690 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCN2CCO[C@@H](C)C2)C1 ZINC000729605801 578584324 /nfs/dbraw/zinc/58/43/24/578584324.db2.gz MIPGWNDVVNOKDP-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[C@]1(C)CC(=O)N(C[NH+]2CCC(OCC[NH+](C)C)CC2)C1=O ZINC000738208125 579172276 /nfs/dbraw/zinc/17/22/76/579172276.db2.gz JBLUKUJDKIVEKF-SFHVURJKSA-N 2 1 339.480 1.408 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@H]1C ZINC000748972218 579708942 /nfs/dbraw/zinc/70/89/42/579708942.db2.gz WWRUTWVOBLKOLV-YYIAUSFCSA-N 2 1 338.496 1.364 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H]1C ZINC000748972218 579708944 /nfs/dbraw/zinc/70/89/44/579708944.db2.gz WWRUTWVOBLKOLV-YYIAUSFCSA-N 2 1 338.496 1.364 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H]1C ZINC000748972218 579708945 /nfs/dbraw/zinc/70/89/45/579708945.db2.gz WWRUTWVOBLKOLV-YYIAUSFCSA-N 2 1 338.496 1.364 20 0 EDADMP CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000748982388 579709280 /nfs/dbraw/zinc/70/92/80/579709280.db2.gz BSZXNIJPRYRQCC-WBVHZDCISA-N 2 1 325.497 1.316 20 0 EDADMP CC(=O)NCCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000750837278 579783165 /nfs/dbraw/zinc/78/31/65/579783165.db2.gz WLAALDYYNAOCJM-UHFFFAOYSA-N 2 1 338.540 1.641 20 0 EDADMP CC(=O)NCCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000750837278 579783166 /nfs/dbraw/zinc/78/31/66/579783166.db2.gz WLAALDYYNAOCJM-UHFFFAOYSA-N 3 1 338.540 1.641 20 0 EDADMP CC(=O)NCCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000750837278 579783168 /nfs/dbraw/zinc/78/31/68/579783168.db2.gz WLAALDYYNAOCJM-UHFFFAOYSA-N 3 1 338.540 1.641 20 0 EDADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC[NH+]1CCOCC1 ZINC000750853019 579784021 /nfs/dbraw/zinc/78/40/21/579784021.db2.gz DOTVJANBACXWRX-UHFFFAOYSA-N 2 1 333.476 1.865 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CC[NH+]1CCOCC1 ZINC000750853019 579784023 /nfs/dbraw/zinc/78/40/23/579784023.db2.gz DOTVJANBACXWRX-UHFFFAOYSA-N 2 1 333.476 1.865 20 0 EDADMP C[NH+](C)CCN(CCc1ccccc1)C(=O)CC[NH+]1CCOCC1 ZINC000751342706 579802093 /nfs/dbraw/zinc/80/20/93/579802093.db2.gz BVEVGKJKCNMCJY-UHFFFAOYSA-N 2 1 333.476 1.342 20 0 EDADMP CC[C@]1(C(C)C)NC(=O)N(CN2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000755789459 579935092 /nfs/dbraw/zinc/93/50/92/579935092.db2.gz NOEUZIOUAWOSPL-CXAGYDPISA-N 2 1 333.436 1.524 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000756815400 579957533 /nfs/dbraw/zinc/95/75/33/579957533.db2.gz ZWFSEYHIRFUSRY-CVEARBPZSA-N 2 1 326.554 1.913 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000756815400 579957534 /nfs/dbraw/zinc/95/75/34/579957534.db2.gz ZWFSEYHIRFUSRY-CVEARBPZSA-N 2 1 326.554 1.913 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000756815400 579957535 /nfs/dbraw/zinc/95/75/35/579957535.db2.gz ZWFSEYHIRFUSRY-CVEARBPZSA-N 2 1 326.554 1.913 20 0 EDADMP C[NH+](C)CC1(CNC(=S)NCCC[NH+]2CCOCC2)CCCC1 ZINC000758940807 579994973 /nfs/dbraw/zinc/99/49/73/579994973.db2.gz MGSANYFNAXZGIM-UHFFFAOYSA-N 2 1 342.553 1.295 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000771325401 580284236 /nfs/dbraw/zinc/28/42/36/580284236.db2.gz WDEVHVPMFGTZKE-KRWDZBQOSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000771662553 580292018 /nfs/dbraw/zinc/29/20/18/580292018.db2.gz CBJILTCZOOINSD-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C1([NH+](C)C)CCC1 ZINC000779369839 580484455 /nfs/dbraw/zinc/48/44/55/580484455.db2.gz APWHOAIVIHLLEH-LJQANCHMSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H]1C[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@H]2CCCC[C@@H]12 ZINC000782275905 580570526 /nfs/dbraw/zinc/57/05/26/580570526.db2.gz LTWNZFHUHRRPHJ-ILXRZTDVSA-N 2 1 334.464 1.471 20 0 EDADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786798750 580679558 /nfs/dbraw/zinc/67/95/58/580679558.db2.gz CHIAMFVZSYJXHQ-HNNXBMFYSA-N 2 1 346.475 1.714 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCCOC1 ZINC000793328792 580842209 /nfs/dbraw/zinc/84/22/09/580842209.db2.gz FRAVYHINGGJGSJ-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1OCCCO1 ZINC000793328837 580842242 /nfs/dbraw/zinc/84/22/42/580842242.db2.gz GIYFRIVGYVTNNK-OAHLLOKOSA-N 2 1 327.469 1.014 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000794375672 580889515 /nfs/dbraw/zinc/88/95/15/580889515.db2.gz SUMGZZFEUKSPRK-HOTGVXAUSA-N 2 1 341.496 1.680 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795926514 580941509 /nfs/dbraw/zinc/94/15/09/580941509.db2.gz GVHJXLJKVTUZTD-INIZCTEOSA-N 2 1 339.480 1.097 20 0 EDADMP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cn1 ZINC000799606116 581032598 /nfs/dbraw/zinc/03/25/98/581032598.db2.gz RQBPXTRRDIIHRB-LJQANCHMSA-N 2 1 345.418 1.876 20 0 EDADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000893048627 590636083 /nfs/dbraw/zinc/63/60/83/590636083.db2.gz SQRMCGAZRABSEW-UXHICEINSA-N 3 1 331.504 1.801 20 0 EDADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000893048627 590636089 /nfs/dbraw/zinc/63/60/89/590636089.db2.gz SQRMCGAZRABSEW-UXHICEINSA-N 3 1 331.504 1.801 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000893192617 590704655 /nfs/dbraw/zinc/70/46/55/590704655.db2.gz YRYJLALVAWQGEZ-INIZCTEOSA-N 2 1 344.503 1.727 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)[NH+]1CCc2ccccc2C1 ZINC000892019892 590750941 /nfs/dbraw/zinc/75/09/41/590750941.db2.gz PVCUPVNKHRQKSN-ATZDWAIDSA-N 2 1 342.487 1.779 20 0 EDADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)N1CC[NH2+]CCC12CCC2 ZINC000892132789 590816064 /nfs/dbraw/zinc/81/60/64/590816064.db2.gz VKECELZBPWSDAY-UHFFFAOYSA-N 2 1 349.523 1.130 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000892166517 590838320 /nfs/dbraw/zinc/83/83/20/590838320.db2.gz KFGICMWQVMNORJ-SJLPKXTDSA-N 2 1 346.475 1.453 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000892186706 590853373 /nfs/dbraw/zinc/85/33/73/590853373.db2.gz BKTJHNMRACIOGP-VUNQQRPYSA-N 2 1 328.460 1.860 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000892186706 590853376 /nfs/dbraw/zinc/85/33/76/590853376.db2.gz BKTJHNMRACIOGP-VUNQQRPYSA-N 2 1 328.460 1.860 20 0 EDADMP C[C@H](CNC(=O)N(C)CCCCCC[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232399 590877584 /nfs/dbraw/zinc/87/75/84/590877584.db2.gz KRIKUBFDJUUFAN-OAGGEKHMSA-N 2 1 328.501 1.645 20 0 EDADMP C[C@H](CNC(=O)N(C)CCCCCC[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232399 590877586 /nfs/dbraw/zinc/87/75/86/590877586.db2.gz KRIKUBFDJUUFAN-OAGGEKHMSA-N 2 1 328.501 1.645 20 0 EDADMP O=S1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000893486952 590903448 /nfs/dbraw/zinc/90/34/48/590903448.db2.gz JBHNXTRHCKLQDN-FRIYVGAWSA-N 2 1 336.501 1.644 20 0 EDADMP [NH3+][C@@H](CCNC(=O)NC[C@H]1CCCC[N@H+]1CCO)Cc1ccccc1 ZINC000892407754 591015231 /nfs/dbraw/zinc/01/52/31/591015231.db2.gz DQYPYVQCVHSTME-ZWKOTPCHSA-N 2 1 348.491 1.093 20 0 EDADMP C[NH+]1CCC[C@H](CNc2nccc(NC[C@@H]3CCC[N@H+](C)C3)n2)C1 ZINC000892421899 591021392 /nfs/dbraw/zinc/02/13/92/591021392.db2.gz QHDIWQRBQSLQJW-JKSUJKDBSA-N 3 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@H](CNc2nc(NC[C@@H]3CCC[N@@H+](C)C3)cc[nH+]2)C1 ZINC000892421899 591021408 /nfs/dbraw/zinc/02/14/08/591021408.db2.gz QHDIWQRBQSLQJW-JKSUJKDBSA-N 3 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@H](CNc2nc(NC[C@@H]3CCC[N@H+](C)C3)cc[nH+]2)C1 ZINC000892421899 591021412 /nfs/dbraw/zinc/02/14/12/591021412.db2.gz QHDIWQRBQSLQJW-JKSUJKDBSA-N 3 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@@H](CNc2cc[nH+]c(NC[C@H]3CCC[N@H+](C)C3)n2)C1 ZINC000892421899 591021417 /nfs/dbraw/zinc/02/14/17/591021417.db2.gz QHDIWQRBQSLQJW-JKSUJKDBSA-N 3 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@@H](CNc2cc[nH+]c(NC[C@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000892421899 591021421 /nfs/dbraw/zinc/02/14/21/591021421.db2.gz QHDIWQRBQSLQJW-JKSUJKDBSA-N 3 1 332.496 1.984 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892484983 591044358 /nfs/dbraw/zinc/04/43/58/591044358.db2.gz RULQAKGOBGCHPJ-HUUCEWRRSA-N 2 1 340.512 1.251 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CCC[C@@H](C[NH3+])C3)C2)cc1 ZINC000892530285 591060779 /nfs/dbraw/zinc/06/07/79/591060779.db2.gz MDKGPWJAPAZBMI-ROUUACIJSA-N 2 1 330.476 1.950 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892557176 591071653 /nfs/dbraw/zinc/07/16/53/591071653.db2.gz NOWYNCBAFOTDAS-CALCHBBNSA-N 2 1 340.512 1.504 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000891485498 591089276 /nfs/dbraw/zinc/08/92/76/591089276.db2.gz OZBPQOMLGDDKOV-OAHLLOKOSA-N 2 1 326.485 1.175 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891493713 591093036 /nfs/dbraw/zinc/09/30/36/591093036.db2.gz ZCHCPIOPOMPWQA-HNNXBMFYSA-N 2 1 326.485 1.176 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000891508550 591098286 /nfs/dbraw/zinc/09/82/86/591098286.db2.gz NQVNLRXXBARJAT-KBAYOESNSA-N 2 1 330.476 1.682 20 0 EDADMP C[C@@H](CNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)C[NH+]1CCOCC1 ZINC000891584973 591135889 /nfs/dbraw/zinc/13/58/89/591135889.db2.gz VOWFGQCSOJLVOK-WMZOPIPTSA-N 2 1 338.496 1.130 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000891598885 591141957 /nfs/dbraw/zinc/14/19/57/591141957.db2.gz XVCPNAALPOGCJV-INIZCTEOSA-N 2 1 328.501 1.421 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@H]2CCC[NH+]3C)C1 ZINC000891598415 591143175 /nfs/dbraw/zinc/14/31/75/591143175.db2.gz SWGFFQFKPZNRLU-IXDOHACOSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC000891598415 591143177 /nfs/dbraw/zinc/14/31/77/591143177.db2.gz SWGFFQFKPZNRLU-IXDOHACOSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)C1 ZINC000891598415 591143180 /nfs/dbraw/zinc/14/31/80/591143180.db2.gz SWGFFQFKPZNRLU-IXDOHACOSA-N 2 1 338.496 1.221 20 0 EDADMP Cn1nc2c(c1C[NH+]1CCC(C[NH+]3CCOCC3)CC1)COCC2 ZINC000891611727 591149423 /nfs/dbraw/zinc/14/94/23/591149423.db2.gz VCYRXUBLZPESSU-UHFFFAOYSA-N 2 1 334.464 1.037 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)C2)C1 ZINC000892795304 591182328 /nfs/dbraw/zinc/18/23/28/591182328.db2.gz UQONPISHGJFEJX-IEBWSBKVSA-N 2 1 328.460 1.438 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2)[C@@H]1C[N@H+](C)CCO1 ZINC000891698706 591189595 /nfs/dbraw/zinc/18/95/95/591189595.db2.gz UJGNHJSJDDCVMO-HRCADAONSA-N 2 1 338.496 1.317 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2)[C@@H]1C[N@@H+](C)CCO1 ZINC000891698706 591189598 /nfs/dbraw/zinc/18/95/98/591189598.db2.gz UJGNHJSJDDCVMO-HRCADAONSA-N 2 1 338.496 1.317 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)C[C@@H](C)O1 ZINC000891727251 591200760 /nfs/dbraw/zinc/20/07/60/591200760.db2.gz FPYVAIGSWFYPCX-QBPKDAKJSA-N 2 1 338.496 1.364 20 0 EDADMP COC(=O)[C@H]1CN(c2cc[nH+]c3ccc(OC)cc32)CC[N@@H+](C)C1 ZINC000894191603 591223705 /nfs/dbraw/zinc/22/37/05/591223705.db2.gz ZPDCOVBBWJMNKI-CYBMUJFWSA-N 2 1 329.400 1.784 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000895627326 591235323 /nfs/dbraw/zinc/23/53/23/591235323.db2.gz FQECYXUWYHYHBV-BZUAXINKSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895627326 591235325 /nfs/dbraw/zinc/23/53/25/591235325.db2.gz FQECYXUWYHYHBV-BZUAXINKSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000895627326 591235326 /nfs/dbraw/zinc/23/53/26/591235326.db2.gz FQECYXUWYHYHBV-BZUAXINKSA-N 2 1 338.496 1.100 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000892999122 591250745 /nfs/dbraw/zinc/25/07/45/591250745.db2.gz AQDGEAALYSSBMJ-OTWHNJEPSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000892999122 591250748 /nfs/dbraw/zinc/25/07/48/591250748.db2.gz AQDGEAALYSSBMJ-OTWHNJEPSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000892999122 591250749 /nfs/dbraw/zinc/25/07/49/591250749.db2.gz AQDGEAALYSSBMJ-OTWHNJEPSA-N 2 1 342.487 1.997 20 0 EDADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895696747 591257232 /nfs/dbraw/zinc/25/72/32/591257232.db2.gz GFZJUCOFLIGSSE-RBUKOAKNSA-N 2 1 343.471 1.488 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000897432796 591412849 /nfs/dbraw/zinc/41/28/49/591412849.db2.gz NZKUTKWHYHIPLR-INIZCTEOSA-N 2 1 333.480 1.497 20 0 EDADMP C[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000896291972 591417028 /nfs/dbraw/zinc/41/70/28/591417028.db2.gz MVXRLOUHBHIWPK-INIZCTEOSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000897470586 591472905 /nfs/dbraw/zinc/47/29/05/591472905.db2.gz HAYVWGHUIFYWKB-CVEARBPZSA-N 2 1 331.464 1.644 20 0 EDADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896541884 591506230 /nfs/dbraw/zinc/50/62/30/591506230.db2.gz JCUVUSCTCUKIOV-VQIMIIECSA-N 2 1 344.503 1.647 20 0 EDADMP CN1CCC[C@H]1c1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[nH]n1 ZINC000897577492 591564886 /nfs/dbraw/zinc/56/48/86/591564886.db2.gz XLVXWXOMZYIHPF-YOEHRIQHSA-N 2 1 331.464 1.923 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000909436107 591567101 /nfs/dbraw/zinc/56/71/01/591567101.db2.gz DXGDQNPSYJNSAO-GOSISDBHSA-N 2 1 338.540 1.734 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000909436107 591567103 /nfs/dbraw/zinc/56/71/03/591567103.db2.gz DXGDQNPSYJNSAO-GOSISDBHSA-N 2 1 338.540 1.734 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000909436107 591567106 /nfs/dbraw/zinc/56/71/06/591567106.db2.gz DXGDQNPSYJNSAO-GOSISDBHSA-N 2 1 338.540 1.734 20 0 EDADMP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000897589328 591571571 /nfs/dbraw/zinc/57/15/71/591571571.db2.gz JXLULRSKDFUXOF-MSOLQXFVSA-N 2 1 330.476 1.535 20 0 EDADMP CCOC(=O)N1CCC(C)(C[NH2+]C[C@H](C[NH+](C)C)OCC)CC1 ZINC000896878612 591644658 /nfs/dbraw/zinc/64/46/58/591644658.db2.gz RMLFUYDXYJGZSL-OAHLLOKOSA-N 2 1 329.485 1.801 20 0 EDADMP C[C@H](O)[C@H]1CCN(c2cc(N3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)ncn2)C1 ZINC000896912672 591677129 /nfs/dbraw/zinc/67/71/29/591677129.db2.gz CKQFGWPRPCCWSX-YRBFXIGRSA-N 2 1 331.464 1.072 20 0 EDADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n[nH]1 ZINC000897015726 591712341 /nfs/dbraw/zinc/71/23/41/591712341.db2.gz BNGJKHDJWWMNEX-RRQGHBQHSA-N 2 1 331.464 1.733 20 0 EDADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n[nH]1 ZINC000897015726 591712343 /nfs/dbraw/zinc/71/23/43/591712343.db2.gz BNGJKHDJWWMNEX-RRQGHBQHSA-N 2 1 331.464 1.733 20 0 EDADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n[nH]1 ZINC000897015726 591712346 /nfs/dbraw/zinc/71/23/46/591712346.db2.gz BNGJKHDJWWMNEX-RRQGHBQHSA-N 2 1 331.464 1.733 20 0 EDADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n[nH]1 ZINC000897015726 591712350 /nfs/dbraw/zinc/71/23/50/591712350.db2.gz BNGJKHDJWWMNEX-RRQGHBQHSA-N 2 1 331.464 1.733 20 0 EDADMP COc1ccc(C2=NO[C@H](CNCc3cnc(N(C)C)n3C)C2)cc1 ZINC000895496489 591781328 /nfs/dbraw/zinc/78/13/28/591781328.db2.gz SOHTWWUBSVJOCA-INIZCTEOSA-N 2 1 343.431 1.778 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000900013157 591863270 /nfs/dbraw/zinc/86/32/70/591863270.db2.gz RPQUTYPUWUYKLV-UHFFFAOYSA-N 2 1 326.529 1.638 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000900013683 591872421 /nfs/dbraw/zinc/87/24/21/591872421.db2.gz OAIZEDCJICOIST-AZUAARDMSA-N 2 1 345.487 1.787 20 0 EDADMP CN1C[C@H](O)C[C@]1(C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000900137957 591914981 /nfs/dbraw/zinc/91/49/81/591914981.db2.gz CJLGWDGHXDHJMD-YLJYHZDGSA-N 2 1 345.487 1.395 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000900137957 591914984 /nfs/dbraw/zinc/91/49/84/591914984.db2.gz CJLGWDGHXDHJMD-YLJYHZDGSA-N 2 1 345.487 1.395 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000900137957 591914985 /nfs/dbraw/zinc/91/49/85/591914985.db2.gz CJLGWDGHXDHJMD-YLJYHZDGSA-N 2 1 345.487 1.395 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000900137957 591914991 /nfs/dbraw/zinc/91/49/91/591914991.db2.gz CJLGWDGHXDHJMD-YLJYHZDGSA-N 2 1 345.487 1.395 20 0 EDADMP C[C@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000900140979 591915466 /nfs/dbraw/zinc/91/54/66/591915466.db2.gz LXHXPMHKGCUYPO-UZLBHIALSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](CNC(=O)C[C@@]1(O)CCC[NH+](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000900140979 591915470 /nfs/dbraw/zinc/91/54/70/591915470.db2.gz LXHXPMHKGCUYPO-UZLBHIALSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](CNC(=O)C[C@@]1(O)CCC[NH+](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000900140979 591915474 /nfs/dbraw/zinc/91/54/74/591915474.db2.gz LXHXPMHKGCUYPO-UZLBHIALSA-N 2 1 345.487 1.396 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC2CC[NH+](CC)CC2)C1 ZINC000900354735 591993342 /nfs/dbraw/zinc/99/33/42/591993342.db2.gz MCSRCWOKQWIPTC-INIZCTEOSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC2CC[NH+](CC)CC2)C1 ZINC000900354735 591993344 /nfs/dbraw/zinc/99/33/44/591993344.db2.gz MCSRCWOKQWIPTC-INIZCTEOSA-N 2 1 339.480 1.110 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900428942 592015359 /nfs/dbraw/zinc/01/53/59/592015359.db2.gz LNDQHJZYISAQKM-IXDOHACOSA-N 2 1 347.507 1.922 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000900687858 592095431 /nfs/dbraw/zinc/09/54/31/592095431.db2.gz ZICNTKDAWFVJMK-UHFFFAOYSA-N 2 1 338.540 1.593 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)NC2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000900720803 592104041 /nfs/dbraw/zinc/10/40/41/592104041.db2.gz YAEKSLZLDOZOBQ-IBGZPJMESA-N 2 1 346.475 1.009 20 0 EDADMP CCCn1cc([C@H](C)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000903110692 592121424 /nfs/dbraw/zinc/12/14/24/592121424.db2.gz BSZUROYPAKOKAI-QYKUSJBESA-N 2 1 335.496 1.818 20 0 EDADMP CCCn1cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000903110692 592121425 /nfs/dbraw/zinc/12/14/25/592121425.db2.gz BSZUROYPAKOKAI-QYKUSJBESA-N 2 1 335.496 1.818 20 0 EDADMP CCCn1cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000903110692 592121426 /nfs/dbraw/zinc/12/14/26/592121426.db2.gz BSZUROYPAKOKAI-QYKUSJBESA-N 2 1 335.496 1.818 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)CC1 ZINC000903097148 592123044 /nfs/dbraw/zinc/12/30/44/592123044.db2.gz PPIHMVWJFHPKCC-SYKANANRSA-N 3 1 332.536 1.902 20 0 EDADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900900994 592165312 /nfs/dbraw/zinc/16/53/12/592165312.db2.gz NLFXCJFUVSFSCB-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000900900994 592165314 /nfs/dbraw/zinc/16/53/14/592165314.db2.gz NLFXCJFUVSFSCB-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000900900994 592165317 /nfs/dbraw/zinc/16/53/17/592165317.db2.gz NLFXCJFUVSFSCB-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903461065 592171650 /nfs/dbraw/zinc/17/16/50/592171650.db2.gz OGWAUYQDZOONFK-KGLIPLIRSA-N 2 1 331.416 1.111 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900954694 592183676 /nfs/dbraw/zinc/18/36/76/592183676.db2.gz JDRPNRJOMYFWBY-SJLPKXTDSA-N 2 1 337.508 1.963 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ncc(C)c(OC)c1C)C2 ZINC000903492581 592185009 /nfs/dbraw/zinc/18/50/09/592185009.db2.gz FXOUNOZMOTVYBG-IYOUNJFTSA-N 2 1 333.432 1.419 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000900958780 592185128 /nfs/dbraw/zinc/18/51/28/592185128.db2.gz RGBUWLFRJUQAFZ-OAGGEKHMSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000900958780 592185131 /nfs/dbraw/zinc/18/51/31/592185131.db2.gz RGBUWLFRJUQAFZ-OAGGEKHMSA-N 2 1 339.480 1.251 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCOc1ccccc1OC)C2 ZINC000903492658 592185430 /nfs/dbraw/zinc/18/54/30/592185430.db2.gz PGWOWPUIPHMPHS-IYOUNJFTSA-N 2 1 334.416 1.286 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1OC ZINC000903496495 592187857 /nfs/dbraw/zinc/18/78/57/592187857.db2.gz PSOJRJDWCNFDTR-HUUCEWRRSA-N 2 1 349.475 1.579 20 0 EDADMP C[C@H](C(=O)N1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507033 592198932 /nfs/dbraw/zinc/19/89/32/592198932.db2.gz KROWQXPHOWIBBB-NXHRZFHOSA-N 2 1 334.508 1.288 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000906653224 592236699 /nfs/dbraw/zinc/23/66/99/592236699.db2.gz PRHABVLALDFFQD-UHFFFAOYSA-N 2 1 344.459 1.516 20 0 EDADMP C[C@]1(C[N@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)CCC[NH2+]C1 ZINC000904384353 592247400 /nfs/dbraw/zinc/24/74/00/592247400.db2.gz JPEODJLATSATNA-DFEOGRTESA-N 2 1 337.508 1.508 20 0 EDADMP COC(=O)c1ccc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)[nH]1 ZINC000904453744 592264552 /nfs/dbraw/zinc/26/45/52/592264552.db2.gz RUVLFMSDEXGNOB-AWEZNQCLSA-N 2 1 330.388 1.227 20 0 EDADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000901170325 592274962 /nfs/dbraw/zinc/27/49/62/592274962.db2.gz AFKQLAIFHFBUTR-LJHODMEESA-N 2 1 346.475 1.178 20 0 EDADMP O=C(CC1CCCCC1)N1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903725890 592284794 /nfs/dbraw/zinc/28/47/94/592284794.db2.gz IRFCHYGGLSBGOL-UYAOXDASSA-N 2 1 349.519 1.870 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000904598859 592292798 /nfs/dbraw/zinc/29/27/98/592292798.db2.gz TWZGADZQMWTXLO-MRXNPFEDSA-N 2 1 334.464 1.849 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000901236888 592297213 /nfs/dbraw/zinc/29/72/13/592297213.db2.gz ZFHGHJVXUIYALN-SJLPKXTDSA-N 2 1 341.459 1.620 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000903736799 592298899 /nfs/dbraw/zinc/29/88/99/592298899.db2.gz NAQZPYNKIYDIMQ-ZSXDVEMLSA-N 2 1 337.508 1.329 20 0 EDADMP Cc1nc(CN2CCC[C@H]([N@@H+](C)C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)no1 ZINC000903738991 592300824 /nfs/dbraw/zinc/30/08/24/592300824.db2.gz AMYPTOBDHUSOCE-BQFCYCMXSA-N 2 1 349.479 1.043 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](C[C@@H]3CCC[C@@H](C(F)(F)F)O3)C2)nn1 ZINC000903778364 592319655 /nfs/dbraw/zinc/31/96/55/592319655.db2.gz LXKRIJQVCPPJGD-AGIUHOORSA-N 2 1 333.358 1.484 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NC[C@H]1CCN(c3ccccc3)C1)C2 ZINC000903843082 592343051 /nfs/dbraw/zinc/34/30/51/592343051.db2.gz BQVPFCGGLOFVMB-DFEOGRTESA-N 2 1 342.487 1.441 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NC[C@H]1CCN(c3ccccc3)C1)C2 ZINC000903843082 592343057 /nfs/dbraw/zinc/34/30/57/592343057.db2.gz BQVPFCGGLOFVMB-DFEOGRTESA-N 2 1 342.487 1.441 20 0 EDADMP CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903888442 592351173 /nfs/dbraw/zinc/35/11/73/592351173.db2.gz CCAYUSACSRXQFV-HZPDHXFCSA-N 2 1 348.495 1.331 20 0 EDADMP CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903888442 592351179 /nfs/dbraw/zinc/35/11/79/592351179.db2.gz CCAYUSACSRXQFV-HZPDHXFCSA-N 2 1 348.495 1.331 20 0 EDADMP CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903888414 592351278 /nfs/dbraw/zinc/35/12/78/592351278.db2.gz BOWNKECBGJDNOT-HZPDHXFCSA-N 2 1 348.495 1.187 20 0 EDADMP CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903888414 592351282 /nfs/dbraw/zinc/35/12/82/592351282.db2.gz BOWNKECBGJDNOT-HZPDHXFCSA-N 2 1 348.495 1.187 20 0 EDADMP COc1cccc2c1CC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903901978 592370608 /nfs/dbraw/zinc/37/06/08/592370608.db2.gz CEPZHLSPRMMCHU-OAHLLOKOSA-N 2 1 328.460 1.913 20 0 EDADMP COc1cccc2c1CC[N@@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903901978 592370610 /nfs/dbraw/zinc/37/06/10/592370610.db2.gz CEPZHLSPRMMCHU-OAHLLOKOSA-N 2 1 328.460 1.913 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cnn1C ZINC000903908299 592373647 /nfs/dbraw/zinc/37/36/47/592373647.db2.gz GHJACAGJZXPSKP-ROUUACIJSA-N 2 1 327.476 1.806 20 0 EDADMP NC(=O)c1cc([C@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n[nH]1 ZINC000903908534 592374066 /nfs/dbraw/zinc/37/40/66/592374066.db2.gz KOUBKJJEKBPMIM-HNNXBMFYSA-N 2 1 339.443 1.534 20 0 EDADMP CC[NH+](CC)CC1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903906188 592374169 /nfs/dbraw/zinc/37/41/69/592374169.db2.gz UDBJTLVSYIFXEJ-KRWDZBQOSA-N 3 1 334.512 1.756 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000908229100 592393645 /nfs/dbraw/zinc/39/36/45/592393645.db2.gz FRHCOSLQIUTDEO-MNEFBYGVSA-N 2 1 343.471 1.486 20 0 EDADMP COC(=O)c1ccc2c(c1)CC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000903948219 592394068 /nfs/dbraw/zinc/39/40/68/592394068.db2.gz NQSZHJFQTYRABY-CQSZACIVSA-N 2 1 345.443 1.029 20 0 EDADMP Cn1nnc2cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)ccc21 ZINC000903980244 592400715 /nfs/dbraw/zinc/40/07/15/592400715.db2.gz LHZWXFYHXRAFIN-CALCHBBNSA-N 2 1 340.475 1.369 20 0 EDADMP Cn1nnc2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)ccc21 ZINC000903980244 592400718 /nfs/dbraw/zinc/40/07/18/592400718.db2.gz LHZWXFYHXRAFIN-CALCHBBNSA-N 2 1 340.475 1.369 20 0 EDADMP Cn1nnc2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)ccc21 ZINC000903980244 592400720 /nfs/dbraw/zinc/40/07/20/592400720.db2.gz LHZWXFYHXRAFIN-CALCHBBNSA-N 2 1 340.475 1.369 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000905108794 592410147 /nfs/dbraw/zinc/41/01/47/592410147.db2.gz BXPOUVAMYXRZRL-SFHVURJKSA-N 2 1 341.540 1.440 20 0 EDADMP Cc1nc2ccccn2c1CNS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000908374440 592472084 /nfs/dbraw/zinc/47/20/84/592472084.db2.gz ZHAXLWWWOAGXRL-KRWDZBQOSA-N 2 1 348.472 1.548 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1(C)C ZINC000905249666 592476758 /nfs/dbraw/zinc/47/67/58/592476758.db2.gz ZPGIAOAXBIUFJC-QZTJIDSGSA-N 2 1 335.492 1.087 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1(C)C ZINC000905249665 592476767 /nfs/dbraw/zinc/47/67/67/592476767.db2.gz ZPGIAOAXBIUFJC-MSOLQXFVSA-N 2 1 335.492 1.087 20 0 EDADMP C(c1noc(CC2([NH+]3CCOCC3)CCCC2)n1)C1CC[NH2+]CC1 ZINC000905315460 592495951 /nfs/dbraw/zinc/49/59/51/592495951.db2.gz UWLFSOQBBDHDLT-UHFFFAOYSA-N 2 1 334.464 1.799 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000905344158 592500795 /nfs/dbraw/zinc/50/07/95/592500795.db2.gz BIDHRIAUHLSCFY-UHFFFAOYSA-N 2 1 344.503 1.392 20 0 EDADMP CC(C)OCC[C@H](O)C[NH2+][C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000905497137 592553539 /nfs/dbraw/zinc/55/35/39/592553539.db2.gz WYHPKKPCUVTEDP-YYWYGQEZSA-N 2 1 328.497 1.232 20 0 EDADMP FC1(F)CC[NH2+]C[C@@H]1CNc1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000905679623 592609967 /nfs/dbraw/zinc/60/99/67/592609967.db2.gz YPTLISKTCMLBEZ-VXGBXAGGSA-N 2 1 327.379 1.724 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)O1 ZINC000905726683 592630498 /nfs/dbraw/zinc/63/04/98/592630498.db2.gz FMKKHXUBFXDLOV-KYJSFNMBSA-N 2 1 331.460 1.615 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)O1 ZINC000905726683 592630500 /nfs/dbraw/zinc/63/05/00/592630500.db2.gz FMKKHXUBFXDLOV-KYJSFNMBSA-N 2 1 331.460 1.615 20 0 EDADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)c2)CC1 ZINC000907453616 592663870 /nfs/dbraw/zinc/66/38/70/592663870.db2.gz ZIOJHZHMBFDKLK-PKOBYXMFSA-N 2 1 346.475 1.222 20 0 EDADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)c2)CC1 ZINC000907453616 592663874 /nfs/dbraw/zinc/66/38/74/592663874.db2.gz ZIOJHZHMBFDKLK-PKOBYXMFSA-N 2 1 346.475 1.222 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH+](C)C[C@@H](C)O)CC2)C1 ZINC000907579047 592720105 /nfs/dbraw/zinc/72/01/05/592720105.db2.gz PBZYOLJHOMYZDS-HZPDHXFCSA-N 2 1 325.497 1.412 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([N@H+](C)C[C@@H](C)O)CC2)C1 ZINC000907579047 592720109 /nfs/dbraw/zinc/72/01/09/592720109.db2.gz PBZYOLJHOMYZDS-HZPDHXFCSA-N 2 1 325.497 1.412 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)C1 ZINC000907579047 592720111 /nfs/dbraw/zinc/72/01/11/592720111.db2.gz PBZYOLJHOMYZDS-HZPDHXFCSA-N 2 1 325.497 1.412 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000907747531 592787252 /nfs/dbraw/zinc/78/72/52/592787252.db2.gz UDJKEKDZLPBZAA-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@@H](C)CC)CC2)C1 ZINC000909261558 592788817 /nfs/dbraw/zinc/78/88/17/592788817.db2.gz KPMPAGGBOJWZDC-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@@H](C)CC)CC2)C1 ZINC000909261558 592788819 /nfs/dbraw/zinc/78/88/19/592788819.db2.gz KPMPAGGBOJWZDC-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000910875140 592899330 /nfs/dbraw/zinc/89/93/30/592899330.db2.gz HYOFJFRXNPERTA-UHFFFAOYSA-N 2 1 325.497 1.270 20 0 EDADMP CCO[C@@H](CC[NH+](C)C)CNC(=S)NC[C@@H]1CCC[N@H+]1CC ZINC000753961605 592912236 /nfs/dbraw/zinc/91/22/36/592912236.db2.gz AROPYXONIYWWRF-GJZGRUSLSA-N 2 1 330.542 1.292 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C1 ZINC000911581632 592954157 /nfs/dbraw/zinc/95/41/57/592954157.db2.gz UTBZSOHRHCSUCL-OAGGEKHMSA-N 2 1 337.464 1.005 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C1 ZINC000911581632 592954159 /nfs/dbraw/zinc/95/41/59/592954159.db2.gz UTBZSOHRHCSUCL-OAGGEKHMSA-N 2 1 337.464 1.005 20 0 EDADMP CC[N@@H+]1[C@H](C)CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C[C@@H]1C ZINC000912026813 593049424 /nfs/dbraw/zinc/04/94/24/593049424.db2.gz JXYZHFBDOIXBMK-OQSMONGASA-N 2 1 337.508 1.819 20 0 EDADMP CC[C@@H]1CCN1CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000840078398 593124352 /nfs/dbraw/zinc/12/43/52/593124352.db2.gz UPGJIWRYCFJVRZ-ZACQAIPSSA-N 2 1 327.428 1.545 20 0 EDADMP COC(=O)[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000839098922 593261307 /nfs/dbraw/zinc/26/13/07/593261307.db2.gz MSNXEDMMDKJVGZ-KZNAEPCWSA-N 2 1 332.444 1.332 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000839098922 593261308 /nfs/dbraw/zinc/26/13/08/593261308.db2.gz MSNXEDMMDKJVGZ-KZNAEPCWSA-N 2 1 332.444 1.332 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCSC1 ZINC000810476038 593404316 /nfs/dbraw/zinc/40/43/16/593404316.db2.gz URJLVOGLDKWKSF-HZPDHXFCSA-N 2 1 331.501 1.752 20 0 EDADMP C[N@H+]1CCCN(CCCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000813451392 593533693 /nfs/dbraw/zinc/53/36/93/593533693.db2.gz MVQGTHMEBHHAMU-SFHVURJKSA-N 2 1 342.503 1.343 20 0 EDADMP C[NH+]1CCCN(CCCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000813451392 593533694 /nfs/dbraw/zinc/53/36/94/593533694.db2.gz MVQGTHMEBHHAMU-SFHVURJKSA-N 2 1 342.503 1.343 20 0 EDADMP C[NH+]1CCCN(CCCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000813451392 593533695 /nfs/dbraw/zinc/53/36/95/593533695.db2.gz MVQGTHMEBHHAMU-SFHVURJKSA-N 2 1 342.503 1.343 20 0 EDADMP CN1CCC[N@H+](CCCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000813451392 593533696 /nfs/dbraw/zinc/53/36/96/593533696.db2.gz MVQGTHMEBHHAMU-SFHVURJKSA-N 2 1 342.503 1.343 20 0 EDADMP CN1CCC[N@@H+](CCCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000813451392 593533697 /nfs/dbraw/zinc/53/36/97/593533697.db2.gz MVQGTHMEBHHAMU-SFHVURJKSA-N 2 1 342.503 1.343 20 0 EDADMP CN1CCC[NH+](CCCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000813451392 593533698 /nfs/dbraw/zinc/53/36/98/593533698.db2.gz MVQGTHMEBHHAMU-SFHVURJKSA-N 2 1 342.503 1.343 20 0 EDADMP CN1CCC[NH+](CCCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000813451392 593533699 /nfs/dbraw/zinc/53/36/99/593533699.db2.gz MVQGTHMEBHHAMU-SFHVURJKSA-N 2 1 342.503 1.343 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)c2c(F)cccc2F)CC1(C)C ZINC000819288063 593748675 /nfs/dbraw/zinc/74/86/75/593748675.db2.gz UMTDUSFBMQSNAL-HNNXBMFYSA-N 2 1 327.419 1.614 20 0 EDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000819366962 593752062 /nfs/dbraw/zinc/75/20/62/593752062.db2.gz VBGHXSBUYZFFAH-WMLDXEAASA-N 2 1 340.489 1.445 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819639422 593762273 /nfs/dbraw/zinc/76/22/73/593762273.db2.gz DHGMPNZTNQAOGP-RBUKOAKNSA-N 2 1 343.471 1.442 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819639422 593762274 /nfs/dbraw/zinc/76/22/74/593762274.db2.gz DHGMPNZTNQAOGP-RBUKOAKNSA-N 2 1 343.471 1.442 20 0 EDADMP C[N@H+](CCCC(=O)[O-])CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000820592297 593839673 /nfs/dbraw/zinc/83/96/73/593839673.db2.gz ZTNKNKXYSVKKFE-UHFFFAOYSA-N 2 1 325.497 1.979 20 0 EDADMP C[N@@H+](CCCC(=O)[O-])CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000820592297 593839674 /nfs/dbraw/zinc/83/96/74/593839674.db2.gz ZTNKNKXYSVKKFE-UHFFFAOYSA-N 2 1 325.497 1.979 20 0 EDADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625137 593886221 /nfs/dbraw/zinc/88/62/21/593886221.db2.gz GKBQJVWAWLJCOD-CZUORRHYSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625137 593886222 /nfs/dbraw/zinc/88/62/22/593886222.db2.gz GKBQJVWAWLJCOD-CZUORRHYSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625137 593886224 /nfs/dbraw/zinc/88/62/24/593886224.db2.gz GKBQJVWAWLJCOD-CZUORRHYSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625137 593886226 /nfs/dbraw/zinc/88/62/26/593886226.db2.gz GKBQJVWAWLJCOD-CZUORRHYSA-N 2 1 330.411 1.922 20 0 EDADMP NC(=O)[C@H]1CCCN1C1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822774100 594098606 /nfs/dbraw/zinc/09/86/06/594098606.db2.gz AERVVBCFTATLBJ-DGCLKSJQSA-N 2 1 334.291 1.984 20 0 EDADMP Cc1ccccc1[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC[NH2+]1 ZINC000825154267 594137659 /nfs/dbraw/zinc/13/76/59/594137659.db2.gz RZSBJRDCMWSNBK-GOSISDBHSA-N 2 1 341.459 1.540 20 0 EDADMP CC(C)(O)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000830231732 594359360 /nfs/dbraw/zinc/35/93/60/594359360.db2.gz SZAIXDFHQWXDQZ-MRXNPFEDSA-N 2 1 333.476 1.591 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1-c1nn[nH]n1 ZINC000826194110 594371421 /nfs/dbraw/zinc/37/14/21/594371421.db2.gz AXDMGYWOHGACJB-HNNXBMFYSA-N 2 1 342.447 1.793 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1-c1nn[nH]n1 ZINC000826194110 594371424 /nfs/dbraw/zinc/37/14/24/594371424.db2.gz AXDMGYWOHGACJB-HNNXBMFYSA-N 2 1 342.447 1.793 20 0 EDADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000828932354 594532762 /nfs/dbraw/zinc/53/27/62/594532762.db2.gz RRICHDDCUWCTCJ-OAGGEKHMSA-N 2 1 326.481 1.743 20 0 EDADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000828932354 594532764 /nfs/dbraw/zinc/53/27/64/594532764.db2.gz RRICHDDCUWCTCJ-OAGGEKHMSA-N 2 1 326.481 1.743 20 0 EDADMP C[C@@H](C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000829272900 594590941 /nfs/dbraw/zinc/59/09/41/594590941.db2.gz MNYFKNWZRCTORH-BBWFWOEESA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCCCC[NH3+] ZINC000831280730 594598550 /nfs/dbraw/zinc/59/85/50/594598550.db2.gz LCDIKEOUVJCMQA-OAHLLOKOSA-N 2 1 326.485 1.400 20 0 EDADMP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000841833189 594959646 /nfs/dbraw/zinc/95/96/46/594959646.db2.gz SYBJDIHPSVKUAZ-FUHWJXTLSA-N 2 1 328.460 1.657 20 0 EDADMP CC(C)[C@@]1(C)NC(=O)N(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)C1=O ZINC000121538613 595077619 /nfs/dbraw/zinc/07/76/19/595077619.db2.gz CYXGVJGGUYDSST-JKIFEVAISA-N 2 1 333.436 1.690 20 0 EDADMP CC(C)[C@@]1(C)NC(=O)N(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)C1=O ZINC000121538613 595077625 /nfs/dbraw/zinc/07/76/25/595077625.db2.gz CYXGVJGGUYDSST-JKIFEVAISA-N 2 1 333.436 1.690 20 0 EDADMP CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)cc(=O)oc2c1 ZINC000843353631 595084557 /nfs/dbraw/zinc/08/45/57/595084557.db2.gz MNTSIKQOYKXTOM-BZNIZROVSA-N 2 1 329.400 1.921 20 0 EDADMP CC(=O)Nc1ccc2c(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)cc(=O)oc2c1 ZINC000843353631 595084561 /nfs/dbraw/zinc/08/45/61/595084561.db2.gz MNTSIKQOYKXTOM-BZNIZROVSA-N 2 1 329.400 1.921 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355406 595085179 /nfs/dbraw/zinc/08/51/79/595085179.db2.gz NDXRNZFYMWPWJN-VXLLPVPCSA-N 2 1 325.497 1.900 20 0 EDADMP COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000843357232 595086560 /nfs/dbraw/zinc/08/65/60/595086560.db2.gz DGBLWOZVZLDIQU-QGZVFWFLSA-N 2 1 332.448 1.003 20 0 EDADMP COc1ccc(NC(=O)[C@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000843357232 595086564 /nfs/dbraw/zinc/08/65/64/595086564.db2.gz DGBLWOZVZLDIQU-QGZVFWFLSA-N 2 1 332.448 1.003 20 0 EDADMP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1)N1CC[NH2+]CC1 ZINC000843358425 595087317 /nfs/dbraw/zinc/08/73/17/595087317.db2.gz ONZCUAFDOOTLJO-IEBWSBKVSA-N 2 1 331.460 1.396 20 0 EDADMP C[C@H]1CC2(C[N@H+]1CN1C[C@]3(C[NH+]4CCC3CC4)OC1=O)CCOCC2 ZINC000842639240 595152990 /nfs/dbraw/zinc/15/29/90/595152990.db2.gz QCBKENYKWBDXBH-KXBFYZLASA-N 2 1 349.475 1.752 20 0 EDADMP CCCCCCNC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846223108 595178357 /nfs/dbraw/zinc/17/83/57/595178357.db2.gz OMDFXXQTHXTPPC-YESZJQIVSA-N 2 1 325.497 1.901 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(O)cc3)C2)C1 ZINC000846226490 595179659 /nfs/dbraw/zinc/17/96/59/595179659.db2.gz ZMNPKMOJUPEVAR-JJRVBVJISA-N 2 1 333.432 1.549 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1CCCCC1 ZINC000837768928 595190776 /nfs/dbraw/zinc/19/07/76/595190776.db2.gz XDHIAMCGQHKBPJ-HZPDHXFCSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000844165376 595288426 /nfs/dbraw/zinc/28/84/26/595288426.db2.gz FDGHBFNPHRELCJ-CZUORRHYSA-N 2 1 339.867 1.828 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C2 ZINC000843111064 595288656 /nfs/dbraw/zinc/28/86/56/595288656.db2.gz CNQCMPBAUXCQCG-QAPCUYQASA-N 2 1 333.407 1.503 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844175671 595292434 /nfs/dbraw/zinc/29/24/34/595292434.db2.gz KCKKCTUNDOAVKX-XHSDSOJGSA-N 2 1 325.497 1.628 20 0 EDADMP Cc1nc(N)sc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000844190800 595298037 /nfs/dbraw/zinc/29/80/37/595298037.db2.gz AROGMPGILZAGNY-UHFFFAOYSA-N 2 1 332.433 1.433 20 0 EDADMP C[NH+](C)CCOc1cccc(-c2noc(C[NH2+]C[C@@H]3CCCO3)n2)c1 ZINC000843186498 595301591 /nfs/dbraw/zinc/30/15/91/595301591.db2.gz XRYVGHANKDWFNA-INIZCTEOSA-N 2 1 346.431 1.946 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NO[C@H](CO)C(C)C)CC2)CC1 ZINC000848197251 595338764 /nfs/dbraw/zinc/33/87/64/595338764.db2.gz WRTIXPPDAXEVIP-QGZVFWFLSA-N 2 1 341.496 1.247 20 0 EDADMP C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000844411760 595339426 /nfs/dbraw/zinc/33/94/26/595339426.db2.gz WQNGTGLQQZDJEF-DJIMGWMZSA-N 2 1 348.491 1.904 20 0 EDADMP C[C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847178734 595371778 /nfs/dbraw/zinc/37/17/78/595371778.db2.gz SQZRJTBLUMCQML-AFIMGQEJSA-N 2 1 343.487 1.813 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCCc2noc3ccccc23)C1 ZINC000848511498 595399842 /nfs/dbraw/zinc/39/98/42/595399842.db2.gz ULAJUBSWKIHMNK-INIZCTEOSA-N 2 1 332.404 1.978 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCCc2noc3ccccc23)C1 ZINC000848511498 595399844 /nfs/dbraw/zinc/39/98/44/595399844.db2.gz ULAJUBSWKIHMNK-INIZCTEOSA-N 2 1 332.404 1.978 20 0 EDADMP CCO[C@@H]1C[N@H+](Cc2ccc(OC(=O)C3CC3)c(OC)c2)C[C@H]1C[NH3+] ZINC000844903883 595410862 /nfs/dbraw/zinc/41/08/62/595410862.db2.gz QZJVWNWJQPKCBO-CRAIPNDOSA-N 2 1 348.443 1.806 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccc(OC(=O)C3CC3)c(OC)c2)C[C@H]1C[NH3+] ZINC000844903883 595410865 /nfs/dbraw/zinc/41/08/65/595410865.db2.gz QZJVWNWJQPKCBO-CRAIPNDOSA-N 2 1 348.443 1.806 20 0 EDADMP Cc1ccc(CNC(=[NH2+])NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000849073812 595478212 /nfs/dbraw/zinc/47/82/12/595478212.db2.gz FOFTUGJEMLMHHA-KRWDZBQOSA-N 2 1 345.491 1.552 20 0 EDADMP CN(C)CC[N@H+](C)CCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000849081929 595479439 /nfs/dbraw/zinc/47/94/39/595479439.db2.gz QIFLQDDVWSJKBJ-UHFFFAOYSA-N 2 1 349.479 1.668 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000849081929 595479442 /nfs/dbraw/zinc/47/94/42/595479442.db2.gz QIFLQDDVWSJKBJ-UHFFFAOYSA-N 2 1 349.479 1.668 20 0 EDADMP CC(C)O[C@@H]1C[C@@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C1(C)C ZINC000849086427 595479826 /nfs/dbraw/zinc/47/98/26/595479826.db2.gz PTXIDYNVEBXHOQ-HUUCEWRRSA-N 2 1 326.485 1.415 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[NH+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849485875 595547515 /nfs/dbraw/zinc/54/75/15/595547515.db2.gz YTIVCGHJJUJGSU-ZWKOTPCHSA-N 2 1 347.507 1.398 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)N2CCC[N@H+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849485875 595547519 /nfs/dbraw/zinc/54/75/19/595547519.db2.gz YTIVCGHJJUJGSU-ZWKOTPCHSA-N 2 1 347.507 1.398 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849485875 595547523 /nfs/dbraw/zinc/54/75/23/595547523.db2.gz YTIVCGHJJUJGSU-ZWKOTPCHSA-N 2 1 347.507 1.398 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000849486801 595547849 /nfs/dbraw/zinc/54/78/49/595547849.db2.gz JAKVYKLJGBDUTC-ROUUACIJSA-N 2 1 347.507 1.448 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849541155 595560617 /nfs/dbraw/zinc/56/06/17/595560617.db2.gz LGWGVQRURRQOHI-MSOLQXFVSA-N 2 1 349.523 1.690 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849541155 595560620 /nfs/dbraw/zinc/56/06/20/595560620.db2.gz LGWGVQRURRQOHI-MSOLQXFVSA-N 2 1 349.523 1.690 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849541155 595560623 /nfs/dbraw/zinc/56/06/23/595560623.db2.gz LGWGVQRURRQOHI-MSOLQXFVSA-N 2 1 349.523 1.690 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+](C)C(C)(C)C2)cn1 ZINC000849586534 595582451 /nfs/dbraw/zinc/58/24/51/595582451.db2.gz PTMOTKRTPXFGEH-HOTGVXAUSA-N 2 1 333.480 1.008 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000849586534 595582454 /nfs/dbraw/zinc/58/24/54/595582454.db2.gz PTMOTKRTPXFGEH-HOTGVXAUSA-N 2 1 333.480 1.008 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000849586534 595582456 /nfs/dbraw/zinc/58/24/56/595582456.db2.gz PTMOTKRTPXFGEH-HOTGVXAUSA-N 2 1 333.480 1.008 20 0 EDADMP [NH3+][C@H](C(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccc(F)cc1F ZINC000852879941 595596017 /nfs/dbraw/zinc/59/60/17/595596017.db2.gz IIMFLNSKHNUYTK-SJORKVTESA-N 2 1 331.366 1.968 20 0 EDADMP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000850354209 595817067 /nfs/dbraw/zinc/81/70/67/595817067.db2.gz YBYCPEKAELQGPW-GUTXKFCHSA-N 2 1 327.494 1.860 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)CCn2cnc(Br)n2)C[C@@H]1C ZINC000851796472 595926661 /nfs/dbraw/zinc/92/66/61/595926661.db2.gz FTPPOHOLAMRBEP-RYUDHWBXSA-N 2 1 330.274 1.845 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)CCn2cnc(Br)n2)C[C@@H]1C ZINC000851796472 595926663 /nfs/dbraw/zinc/92/66/63/595926663.db2.gz FTPPOHOLAMRBEP-RYUDHWBXSA-N 2 1 330.274 1.845 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2cnc(Br)n2)C[C@@H]1C ZINC000851796472 595926665 /nfs/dbraw/zinc/92/66/65/595926665.db2.gz FTPPOHOLAMRBEP-RYUDHWBXSA-N 2 1 330.274 1.845 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cnc(Br)n2)C[C@@H]1C ZINC000851796472 595926658 /nfs/dbraw/zinc/92/66/58/595926658.db2.gz FTPPOHOLAMRBEP-RYUDHWBXSA-N 2 1 330.274 1.845 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214787 596006605 /nfs/dbraw/zinc/00/66/05/596006605.db2.gz SOTKXIFVXDYCLI-MAUKXSAKSA-N 2 1 333.476 1.864 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214787 596006607 /nfs/dbraw/zinc/00/66/07/596006607.db2.gz SOTKXIFVXDYCLI-MAUKXSAKSA-N 2 1 333.476 1.864 20 0 EDADMP CCn1nncc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856548670 596016113 /nfs/dbraw/zinc/01/61/13/596016113.db2.gz LVONAVUXDGLOMQ-SFHVURJKSA-N 2 1 344.463 1.798 20 0 EDADMP CCn1nncc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856548670 596016117 /nfs/dbraw/zinc/01/61/17/596016117.db2.gz LVONAVUXDGLOMQ-SFHVURJKSA-N 2 1 344.463 1.798 20 0 EDADMP CCn1nncc1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856548670 596016120 /nfs/dbraw/zinc/01/61/20/596016120.db2.gz LVONAVUXDGLOMQ-SFHVURJKSA-N 2 1 344.463 1.798 20 0 EDADMP CCn1nncc1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856548670 596016123 /nfs/dbraw/zinc/01/61/23/596016123.db2.gz LVONAVUXDGLOMQ-SFHVURJKSA-N 2 1 344.463 1.798 20 0 EDADMP C[C@@H]([NH3+])CN(C)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000861555491 596028722 /nfs/dbraw/zinc/02/87/22/596028722.db2.gz OAONATIXOKHORE-AEFFLSMTSA-N 2 1 347.507 1.354 20 0 EDADMP C[C@@H]([NH3+])CN(C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000861555491 596028726 /nfs/dbraw/zinc/02/87/26/596028726.db2.gz OAONATIXOKHORE-AEFFLSMTSA-N 2 1 347.507 1.354 20 0 EDADMP C[C@@H]([NH3+])CN(C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000861555491 596028731 /nfs/dbraw/zinc/02/87/31/596028731.db2.gz OAONATIXOKHORE-AEFFLSMTSA-N 2 1 347.507 1.354 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)ccn1 ZINC000856638634 596040881 /nfs/dbraw/zinc/04/08/81/596040881.db2.gz XJSKWCOTKKONDE-SFHVURJKSA-N 2 1 348.491 1.853 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)ccn1 ZINC000856638634 596040884 /nfs/dbraw/zinc/04/08/84/596040884.db2.gz XJSKWCOTKKONDE-SFHVURJKSA-N 2 1 348.491 1.853 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)ccn1 ZINC000856638634 596040888 /nfs/dbraw/zinc/04/08/88/596040888.db2.gz XJSKWCOTKKONDE-SFHVURJKSA-N 2 1 348.491 1.853 20 0 EDADMP CCc1noc(C[C@@]2(O)CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000856671174 596045354 /nfs/dbraw/zinc/04/53/54/596045354.db2.gz JJOHCDBMHSOCSH-QAPCUYQASA-N 2 1 336.480 1.876 20 0 EDADMP CCc1noc(C[C@@]2(O)CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000856671174 596045358 /nfs/dbraw/zinc/04/53/58/596045358.db2.gz JJOHCDBMHSOCSH-QAPCUYQASA-N 2 1 336.480 1.876 20 0 EDADMP CCc1noc(C[C@@]2(O)CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000856671174 596045364 /nfs/dbraw/zinc/04/53/64/596045364.db2.gz JJOHCDBMHSOCSH-QAPCUYQASA-N 2 1 336.480 1.876 20 0 EDADMP CCc1noc(C[C@@]2(O)CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000856671174 596045369 /nfs/dbraw/zinc/04/53/69/596045369.db2.gz JJOHCDBMHSOCSH-QAPCUYQASA-N 2 1 336.480 1.876 20 0 EDADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000852744940 596237404 /nfs/dbraw/zinc/23/74/04/596237404.db2.gz LKBDVZSZBSMSJS-HNNXBMFYSA-N 2 1 341.377 1.927 20 0 EDADMP CC(C)COC(=O)N1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000852750335 596237927 /nfs/dbraw/zinc/23/79/27/596237927.db2.gz QLCPXLCIGVTAOU-HNNXBMFYSA-N 2 1 325.453 1.308 20 0 EDADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000866659584 596283590 /nfs/dbraw/zinc/28/35/90/596283590.db2.gz OGNVRXDZHQWNPS-DOTOQJQBSA-N 2 1 346.475 1.499 20 0 EDADMP CC(=O)Nc1ccc2c(C[N@H+]3C[C@@H](C[NH3+])[C@H](C)C3)cc(=O)oc2c1 ZINC000866674038 596288353 /nfs/dbraw/zinc/28/83/53/596288353.db2.gz PWEFRBVNFXMANY-BXUZGUMPSA-N 2 1 329.400 1.778 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1F ZINC000866709096 596303224 /nfs/dbraw/zinc/30/32/24/596303224.db2.gz PUNSBLIFTOEQIT-XPKDYRNWSA-N 2 1 335.379 1.201 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1F ZINC000866709096 596303225 /nfs/dbraw/zinc/30/32/25/596303225.db2.gz PUNSBLIFTOEQIT-XPKDYRNWSA-N 2 1 335.379 1.201 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870883813 596389198 /nfs/dbraw/zinc/38/91/98/596389198.db2.gz JBMHEGFQQCQJFB-AWEZNQCLSA-N 2 1 334.489 1.824 20 0 EDADMP C[C@@H](CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[N@@H+](C)C1CC1 ZINC000865143355 596489831 /nfs/dbraw/zinc/48/98/31/596489831.db2.gz VYMMMONVEKBRTL-JSGCOSHPSA-N 2 1 342.484 1.040 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000865528546 596601074 /nfs/dbraw/zinc/60/10/74/596601074.db2.gz KBKRHOUEPREWSR-LJQANCHMSA-N 2 1 349.475 1.868 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000865528546 596601075 /nfs/dbraw/zinc/60/10/75/596601075.db2.gz KBKRHOUEPREWSR-LJQANCHMSA-N 2 1 349.475 1.868 20 0 EDADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)[C@@H](c2ccccc2)C1 ZINC000869776656 596626587 /nfs/dbraw/zinc/62/65/87/596626587.db2.gz QJBAZYAMTIIDPR-KSZLIROESA-N 2 1 345.487 1.293 20 0 EDADMP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)[C@@H](c2ccccc2)C1 ZINC000869776656 596626591 /nfs/dbraw/zinc/62/65/91/596626591.db2.gz QJBAZYAMTIIDPR-KSZLIROESA-N 2 1 345.487 1.293 20 0 EDADMP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)[C@@H](c2ccccc2)C1 ZINC000869776656 596626595 /nfs/dbraw/zinc/62/65/95/596626595.db2.gz QJBAZYAMTIIDPR-KSZLIROESA-N 2 1 345.487 1.293 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865619443 596629158 /nfs/dbraw/zinc/62/91/58/596629158.db2.gz UKKLIIRBYDSGOG-CQSZACIVSA-N 2 1 342.365 1.843 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH2+]CC1 ZINC000868004345 596651536 /nfs/dbraw/zinc/65/15/36/596651536.db2.gz YGUJTJKWHJJDOA-QAPCUYQASA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH2+]CC1 ZINC000868004345 596651537 /nfs/dbraw/zinc/65/15/37/596651537.db2.gz YGUJTJKWHJJDOA-QAPCUYQASA-N 2 1 331.460 1.392 20 0 EDADMP CCCNc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)ncn1 ZINC000865802017 596689990 /nfs/dbraw/zinc/68/99/90/596689990.db2.gz GHNQJCOKPZBHQM-GOOCMWNKSA-N 2 1 346.479 1.794 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000868167158 596707977 /nfs/dbraw/zinc/70/79/77/596707977.db2.gz PSYOVVMWSGZHIO-CHWSQXEVSA-N 2 1 330.354 1.752 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000868167158 596707978 /nfs/dbraw/zinc/70/79/78/596707978.db2.gz PSYOVVMWSGZHIO-CHWSQXEVSA-N 2 1 330.354 1.752 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)[C@@H](C)C1 ZINC000868180862 596713883 /nfs/dbraw/zinc/71/38/83/596713883.db2.gz UPNDRRXMIAHBQT-MGBSGCIJSA-N 2 1 332.448 1.420 20 0 EDADMP C[NH+](C)C[C@@H]1CN(c2nc(N3CCCC3)cc[nH+]2)C[C@H]1C[NH+](C)C ZINC000866012448 596757576 /nfs/dbraw/zinc/75/75/76/596757576.db2.gz CLOHOYDZXJHNRN-HZPDHXFCSA-N 3 1 332.496 1.252 20 0 EDADMP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156236 596815715 /nfs/dbraw/zinc/81/57/15/596815715.db2.gz GTKMJRZSWAKPCT-HOCLYGCPSA-N 2 1 331.526 1.497 20 0 EDADMP Cc1ccc([C@@H](O)C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000872214263 596837941 /nfs/dbraw/zinc/83/79/41/596837941.db2.gz RVLPNGWOFAMVPL-HKUYNNGSSA-N 2 1 330.428 1.848 20 0 EDADMP Cc1ccc([C@@H](O)C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000872214263 596837944 /nfs/dbraw/zinc/83/79/44/596837944.db2.gz RVLPNGWOFAMVPL-HKUYNNGSSA-N 2 1 330.428 1.848 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1OC ZINC000872255400 596856293 /nfs/dbraw/zinc/85/62/93/596856293.db2.gz VVLCEAQYOUIVJD-CPUCHLNUSA-N 2 1 347.415 1.071 20 0 EDADMP CCOc1ccccc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255274 596856617 /nfs/dbraw/zinc/85/66/17/596856617.db2.gz UFCXCZNATOFMIA-UXLLHSPISA-N 2 1 331.416 1.452 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCC(C)([NH+]3CCCCC3)CC2)CC1 ZINC000872530303 596950351 /nfs/dbraw/zinc/95/03/51/596950351.db2.gz RAQVZVQPCPHYNO-UHFFFAOYSA-N 2 1 343.537 1.751 20 0 EDADMP COCC[N@H+](CC1CC[NH+](C)CC1)Cn1cnc(-c2ccccn2)n1 ZINC000872632214 597000656 /nfs/dbraw/zinc/00/06/56/597000656.db2.gz VMOJNWWVUKXCPU-UHFFFAOYSA-N 2 1 344.463 1.588 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1cnc(-c2ccccn2)n1 ZINC000872632214 597000657 /nfs/dbraw/zinc/00/06/57/597000657.db2.gz VMOJNWWVUKXCPU-UHFFFAOYSA-N 2 1 344.463 1.588 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000874838638 597192971 /nfs/dbraw/zinc/19/29/71/597192971.db2.gz QHXYSZAFTWYCNI-GGPKGHCWSA-N 2 1 343.471 1.319 20 0 EDADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000874838638 597192972 /nfs/dbraw/zinc/19/29/72/597192972.db2.gz QHXYSZAFTWYCNI-GGPKGHCWSA-N 2 1 343.471 1.319 20 0 EDADMP COC(=O)CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@H]1CCCO1 ZINC000873205396 597226912 /nfs/dbraw/zinc/22/69/12/597226912.db2.gz NXIMVPSFKAKLLM-CQSZACIVSA-N 2 1 338.473 1.938 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876719151 597303202 /nfs/dbraw/zinc/30/32/02/597303202.db2.gz DQPBHUJDDAWCPZ-QAPCUYQASA-N 2 1 332.492 1.566 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)/C=C\[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000876781621 597338475 /nfs/dbraw/zinc/33/84/75/597338475.db2.gz PRHXOZWYHHUTNZ-SKHCZCESSA-N 2 1 342.487 1.928 20 0 EDADMP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000876839496 597354796 /nfs/dbraw/zinc/35/47/96/597354796.db2.gz XYAMBDTXZKBAHG-TUKIKUTGSA-N 2 1 325.815 1.761 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000877053750 597423375 /nfs/dbraw/zinc/42/33/75/597423375.db2.gz AQGXCUYQPDOTLN-HNNXBMFYSA-N 2 1 328.403 1.823 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000877374667 597504169 /nfs/dbraw/zinc/50/41/69/597504169.db2.gz NAMKCRUDXNXAFL-WSTZPKSXSA-N 2 1 327.472 1.967 20 0 EDADMP COCC[N@H+](Cc1cc(C(N)=O)cs1)CC1CC[NH+](C)CC1 ZINC000877665356 597546112 /nfs/dbraw/zinc/54/61/12/597546112.db2.gz SBUHOXIUTUPZMI-UHFFFAOYSA-N 2 1 325.478 1.637 20 0 EDADMP CC1(C)C[C@@H](C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C(C)(C)O1 ZINC000878337829 597596526 /nfs/dbraw/zinc/59/65/26/597596526.db2.gz IZXWLTYMYRRJCY-INIZCTEOSA-N 2 1 340.508 1.739 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C/C=C\CN3CC[C@H]4[C@H](CC[N@@H+]4C)C3)CC[C@H]21 ZINC000879577944 597640556 /nfs/dbraw/zinc/64/05/56/597640556.db2.gz OREFNVBZFSWAOG-WSQFCIIPSA-N 2 1 332.536 1.595 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C/C=C\CN3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)CC[C@@H]21 ZINC000879577944 597640559 /nfs/dbraw/zinc/64/05/59/597640559.db2.gz OREFNVBZFSWAOG-WSQFCIIPSA-N 2 1 332.536 1.595 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C/C=C\CN3CC[C@@H]4[C@H](CC[N@H+]4C)C3)CC[C@@H]21 ZINC000879577944 597640562 /nfs/dbraw/zinc/64/05/62/597640562.db2.gz OREFNVBZFSWAOG-WSQFCIIPSA-N 2 1 332.536 1.595 20 0 EDADMP CC1(C)C[C@@H](O)C[N@@H+](CCOCC[NH+]2C[C@@H](O)CC(C)(C)C2)C1 ZINC000879621993 597662217 /nfs/dbraw/zinc/66/22/17/597662217.db2.gz JZLPLUVMFDPXEW-IYBDPMFKSA-N 2 1 328.497 1.189 20 0 EDADMP CC1(C)C[C@@H](O)C[NH+](CCOCC[N@@H+]2C[C@@H](O)CC(C)(C)C2)C1 ZINC000879621993 597662218 /nfs/dbraw/zinc/66/22/18/597662218.db2.gz JZLPLUVMFDPXEW-IYBDPMFKSA-N 2 1 328.497 1.189 20 0 EDADMP CC1(C)C[C@@H](O)C[NH+](CCOCC[N@H+]2C[C@@H](O)CC(C)(C)C2)C1 ZINC000879621993 597662221 /nfs/dbraw/zinc/66/22/21/597662221.db2.gz JZLPLUVMFDPXEW-IYBDPMFKSA-N 2 1 328.497 1.189 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1CC1 ZINC000883285187 597699681 /nfs/dbraw/zinc/69/96/81/597699681.db2.gz IXRXMXQXKOLUOO-MRXNPFEDSA-N 2 1 338.496 1.413 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC[C@H]21 ZINC000878829929 597727085 /nfs/dbraw/zinc/72/70/85/597727085.db2.gz NBOJFSPICBURJO-XJKSGUPXSA-N 2 1 326.404 1.825 20 0 EDADMP CN(C)c1ccc(NC(=O)CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000878866790 597738635 /nfs/dbraw/zinc/73/86/35/597738635.db2.gz XHCYKWPVXSMXBC-IBGZPJMESA-N 2 1 348.491 1.470 20 0 EDADMP CN(C)c1ccc(NC(=O)CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000878866790 597738636 /nfs/dbraw/zinc/73/86/36/597738636.db2.gz XHCYKWPVXSMXBC-IBGZPJMESA-N 2 1 348.491 1.470 20 0 EDADMP COc1ccc([C@H]2C[NH2+]CCN2CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000883452287 597752694 /nfs/dbraw/zinc/75/26/94/597752694.db2.gz PBONYQCWNREYKZ-CEXWTWQISA-N 2 1 331.460 1.505 20 0 EDADMP COc1ccc([C@H]2C[NH2+]CCN2CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000883452287 597752696 /nfs/dbraw/zinc/75/26/96/597752696.db2.gz PBONYQCWNREYKZ-CEXWTWQISA-N 2 1 331.460 1.505 20 0 EDADMP [NH3+][C@H]1C[C@H](CNC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883585658 597813399 /nfs/dbraw/zinc/81/33/99/597813399.db2.gz URZUVVKSCQVMGG-IIDMSEBBSA-N 2 1 343.475 1.830 20 0 EDADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)N[C@H]1CC[NH2+]C1 ZINC000883585580 597813671 /nfs/dbraw/zinc/81/36/71/597813671.db2.gz RHDSKEHMXDQRHE-DOTOQJQBSA-N 2 1 329.448 1.454 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000883719970 597875248 /nfs/dbraw/zinc/87/52/48/597875248.db2.gz AOVQPWLFXDNDEY-GOSISDBHSA-N 2 1 345.491 1.687 20 0 EDADMP C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000884261579 598046122 /nfs/dbraw/zinc/04/61/22/598046122.db2.gz OWZZFJOBTKOMKN-HZPDHXFCSA-N 2 1 343.475 1.952 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])C(C)C)CC1 ZINC000884315843 598063333 /nfs/dbraw/zinc/06/33/33/598063333.db2.gz BQIHBSCEYYDZKH-ZFWWWQNUSA-N 2 1 327.469 1.092 20 0 EDADMP CCC[C@@H]1CN(C(=O)C(C)(C)[C@@H]([NH3+])C(C)C)CC[N@H+]1CCOC ZINC000884378320 598086237 /nfs/dbraw/zinc/08/62/37/598086237.db2.gz OWDVTGAQFHBEKQ-CVEARBPZSA-N 2 1 327.513 1.955 20 0 EDADMP CN(CCCN(C)C(=O)C[N@@H+](C)C1CCC1)C(=O)CCC[NH+](C)C ZINC001067671014 695179949 /nfs/dbraw/zinc/17/99/49/695179949.db2.gz QWSUWFQJXVTCPL-UHFFFAOYSA-N 2 1 340.512 1.119 20 0 EDADMP CN1CC[C@H]1CNC(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000914250937 695305255 /nfs/dbraw/zinc/30/52/55/695305255.db2.gz GBTLOSKVNSSXFZ-KRWDZBQOSA-N 2 1 332.448 1.022 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cn1 ZINC000914289470 695333252 /nfs/dbraw/zinc/33/32/52/695333252.db2.gz NXNVBGZMZHLVIZ-SWLSCSKDSA-N 2 1 328.420 1.468 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cn1 ZINC000914289470 695333254 /nfs/dbraw/zinc/33/32/54/695333254.db2.gz NXNVBGZMZHLVIZ-SWLSCSKDSA-N 2 1 328.420 1.468 20 0 EDADMP Cc1nccn1-c1ncccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000914323291 695359329 /nfs/dbraw/zinc/35/93/29/695359329.db2.gz VBIQUPNNMZQREX-SWLSCSKDSA-N 2 1 328.420 1.468 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000914323291 695359332 /nfs/dbraw/zinc/35/93/32/695359332.db2.gz VBIQUPNNMZQREX-SWLSCSKDSA-N 2 1 328.420 1.468 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000914323291 695359334 /nfs/dbraw/zinc/35/93/34/695359334.db2.gz VBIQUPNNMZQREX-SWLSCSKDSA-N 2 1 328.420 1.468 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000914407798 695391376 /nfs/dbraw/zinc/39/13/76/695391376.db2.gz WUPLSSOXWHTQDY-IKGGRYGDSA-N 2 1 343.537 1.512 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCC3)[C@@H]2C1 ZINC000992856993 695417255 /nfs/dbraw/zinc/41/72/55/695417255.db2.gz MBXDEQRUWKKISV-IPMKNSEASA-N 2 1 349.519 1.726 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)CN2CCc3sccc3C2)CC[N@H+]1CCO ZINC000948061638 696012182 /nfs/dbraw/zinc/01/21/82/696012182.db2.gz XNCNFBJVHCEFMU-ZFWWWQNUSA-N 2 1 337.489 1.068 20 0 EDADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993367613 696015693 /nfs/dbraw/zinc/01/56/93/696015693.db2.gz QPFVWLSCEJXRAH-SJORKVTESA-N 2 1 347.507 1.994 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000993980943 696480512 /nfs/dbraw/zinc/48/05/12/696480512.db2.gz CIYIODISBHEGGF-QAPCUYQASA-N 2 1 333.476 1.977 20 0 EDADMP C[C@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCC[N@H+]1CCC1CC1 ZINC000993993048 696485116 /nfs/dbraw/zinc/48/51/16/696485116.db2.gz YEXRXFPBGNZSKQ-YJBOKZPZSA-N 2 1 347.507 1.828 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCCCC[NH+]1CCOCC1 ZINC000916012075 696613320 /nfs/dbraw/zinc/61/33/20/696613320.db2.gz ATYMHZILSWEGAJ-HNNXBMFYSA-N 2 1 328.526 1.047 20 0 EDADMP CCc1nocc1C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994256225 696661269 /nfs/dbraw/zinc/66/12/69/696661269.db2.gz RPOYUBOJWDTDMZ-RHSMWYFYSA-N 2 1 346.475 1.802 20 0 EDADMP CCc1nocc1C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994256225 696661272 /nfs/dbraw/zinc/66/12/72/696661272.db2.gz RPOYUBOJWDTDMZ-RHSMWYFYSA-N 2 1 346.475 1.802 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000940008383 700110361 /nfs/dbraw/zinc/11/03/61/700110361.db2.gz LLVSMKQICWRNIK-ZDUSSCGKSA-N 2 1 335.452 1.197 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000940008383 700110362 /nfs/dbraw/zinc/11/03/62/700110362.db2.gz LLVSMKQICWRNIK-ZDUSSCGKSA-N 2 1 335.452 1.197 20 0 EDADMP C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCC[N@H+]1Cc1ccc(CO)cc1 ZINC000994504104 696941933 /nfs/dbraw/zinc/94/19/33/696941933.db2.gz GOABPHZXPOBVIU-YJBOKZPZSA-N 2 1 342.443 1.545 20 0 EDADMP CO[C@@H](C[NH+]1CC(NC(=O)c2ccccc2C[NH+](C)C)C1)C1CCC1 ZINC001031437964 697108505 /nfs/dbraw/zinc/10/85/05/697108505.db2.gz OQVZBDFJNOQYGN-IBGZPJMESA-N 2 1 345.487 1.977 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001031580828 697278471 /nfs/dbraw/zinc/27/84/71/697278471.db2.gz WODADIDUELGQOY-LJQANCHMSA-N 2 1 327.472 1.818 20 0 EDADMP Cc1ccccc1OCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031585180 697280860 /nfs/dbraw/zinc/28/08/60/697280860.db2.gz RHMNBGGJGLIQGI-KRWDZBQOSA-N 2 1 331.460 1.516 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000925477359 697394117 /nfs/dbraw/zinc/39/41/17/697394117.db2.gz JGFVLPZCPYQURU-ZYHUDNBSSA-N 2 1 343.415 1.278 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)CCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000920768422 697476803 /nfs/dbraw/zinc/47/68/03/697476803.db2.gz NHNVNXZLZIQKDY-CALCHBBNSA-N 2 1 325.497 1.868 20 0 EDADMP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cs1 ZINC001031688813 697527269 /nfs/dbraw/zinc/52/72/69/697527269.db2.gz LLLOBYWUTLXOPM-IAGOWNOFSA-N 2 1 349.500 1.468 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C[N@H+]1C1CC1 ZINC000921382454 697581323 /nfs/dbraw/zinc/58/13/23/697581323.db2.gz DJXYVUKRJTZPRG-CLWVCHIJSA-N 2 1 338.521 1.491 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC[C@H]3CCCO3)C2)C1 ZINC001031729358 698051611 /nfs/dbraw/zinc/05/16/11/698051611.db2.gz LJAWWBIKVFXSSG-QZTJIDSGSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730547 698071662 /nfs/dbraw/zinc/07/16/62/698071662.db2.gz QPHZVOVCSVVGES-KRWDZBQOSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730547 698071667 /nfs/dbraw/zinc/07/16/67/698071667.db2.gz QPHZVOVCSVVGES-KRWDZBQOSA-N 2 1 346.475 1.938 20 0 EDADMP C[C@H]1C[N@@H+](CCC2CC2)CC[C@@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943516046 698430042 /nfs/dbraw/zinc/43/00/42/698430042.db2.gz KEAHXBJJBPJXJT-YJBOKZPZSA-N 2 1 347.507 1.685 20 0 EDADMP C[C@@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000943772099 698877464 /nfs/dbraw/zinc/87/74/64/698877464.db2.gz QETYKOZAJMOUHU-RHSMWYFYSA-N 2 1 343.431 1.090 20 0 EDADMP C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000943772099 698877469 /nfs/dbraw/zinc/87/74/69/698877469.db2.gz QETYKOZAJMOUHU-RHSMWYFYSA-N 2 1 343.431 1.090 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccnn1C ZINC000939127360 699205230 /nfs/dbraw/zinc/20/52/30/699205230.db2.gz COWKTNSKMLSFLV-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1ccccc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC000939315557 699488849 /nfs/dbraw/zinc/48/88/49/699488849.db2.gz OXRZJBZAAJDDKW-MJGOQNOKSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031812444 699497339 /nfs/dbraw/zinc/49/73/39/699497339.db2.gz CLCOTLKVPILECH-UHFFFAOYSA-N 2 1 328.460 1.566 20 0 EDADMP CC(C)CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941639734 701603191 /nfs/dbraw/zinc/60/31/91/701603191.db2.gz XNMSGMFOJSFSMC-KRWDZBQOSA-N 2 1 336.524 1.203 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000939754656 699904889 /nfs/dbraw/zinc/90/48/89/699904889.db2.gz OCHFMSMHWOSDSJ-WMLDXEAASA-N 2 1 334.464 1.445 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC(C)C)C2)CC1 ZINC000941677713 701616090 /nfs/dbraw/zinc/61/60/90/701616090.db2.gz UXMGCQUBTHJKII-GOSISDBHSA-N 2 1 336.524 1.345 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)CCc3cnc[nH]3)CC2)on1 ZINC000940145060 700275278 /nfs/dbraw/zinc/27/52/78/700275278.db2.gz RSKITPBSCDWJRM-UHFFFAOYSA-N 2 1 331.420 1.810 20 0 EDADMP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000940178059 700311460 /nfs/dbraw/zinc/31/14/60/700311460.db2.gz BATDOWFREYWGIN-INIZCTEOSA-N 2 1 348.495 1.253 20 0 EDADMP COC[C@]1(C)CC(=O)N(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000083112176 700330398 /nfs/dbraw/zinc/33/03/98/700330398.db2.gz XDIBUJJFMHEUIG-GOSISDBHSA-N 2 1 325.497 1.881 20 0 EDADMP Cc1nonc1C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948244213 700436593 /nfs/dbraw/zinc/43/65/93/700436593.db2.gz FPUJQJUPNAMINP-HOCLYGCPSA-N 2 1 335.452 1.285 20 0 EDADMP Cc1nonc1C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948244213 700436595 /nfs/dbraw/zinc/43/65/95/700436595.db2.gz FPUJQJUPNAMINP-HOCLYGCPSA-N 2 1 335.452 1.285 20 0 EDADMP Cc1nonc1C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000948244213 700436597 /nfs/dbraw/zinc/43/65/97/700436597.db2.gz FPUJQJUPNAMINP-HOCLYGCPSA-N 2 1 335.452 1.285 20 0 EDADMP Cc1nonc1C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000948244213 700436599 /nfs/dbraw/zinc/43/65/99/700436599.db2.gz FPUJQJUPNAMINP-HOCLYGCPSA-N 2 1 335.452 1.285 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000940327708 700504514 /nfs/dbraw/zinc/50/45/14/700504514.db2.gz OZBNRIMILKRFHM-UONOGXRCSA-N 2 1 349.479 1.300 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000940327708 700504515 /nfs/dbraw/zinc/50/45/15/700504515.db2.gz OZBNRIMILKRFHM-UONOGXRCSA-N 2 1 349.479 1.300 20 0 EDADMP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000940328021 700506009 /nfs/dbraw/zinc/50/60/09/700506009.db2.gz CNSPKUZDPHGUEN-MRXNPFEDSA-N 2 1 347.507 1.716 20 0 EDADMP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000940328977 700507731 /nfs/dbraw/zinc/50/77/31/700507731.db2.gz PGMNFCVZLLDTDE-OAHLLOKOSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000940329243 700508357 /nfs/dbraw/zinc/50/83/57/700508357.db2.gz SGAAFKLWWVRLRH-CYBMUJFWSA-N 2 1 335.452 1.333 20 0 EDADMP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000940329228 700508384 /nfs/dbraw/zinc/50/83/84/700508384.db2.gz RTZMVMBVIFKZDX-MRXNPFEDSA-N 2 1 347.507 1.858 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000940329868 700509340 /nfs/dbraw/zinc/50/93/40/700509340.db2.gz YYKAPXVPWKFPHQ-OAHLLOKOSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940426078 700619553 /nfs/dbraw/zinc/61/95/53/700619553.db2.gz FBSZPQIPDWLBAB-HNNXBMFYSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)on1 ZINC000940426092 700619741 /nfs/dbraw/zinc/61/97/41/700619741.db2.gz FLEPLCWSCPUUHR-HNNXBMFYSA-N 2 1 334.464 1.796 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]Cc3nncs3)CC2)C1 ZINC000940426530 700620681 /nfs/dbraw/zinc/62/06/81/700620681.db2.gz VGDZVAXZTJHBOV-CYBMUJFWSA-N 2 1 337.493 1.351 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3nnc(C4CC4)o3)CC2)C1 ZINC000940457564 700661223 /nfs/dbraw/zinc/66/12/23/700661223.db2.gz KMVMQNJOVHRVRQ-AWEZNQCLSA-N 2 1 347.463 1.369 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000940457893 700661738 /nfs/dbraw/zinc/66/17/38/700661738.db2.gz YXYCLJSVSCHCJF-CQSZACIVSA-N 2 1 349.479 1.615 20 0 EDADMP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000940461699 700664983 /nfs/dbraw/zinc/66/49/83/700664983.db2.gz ITXPDEOKUXTNTK-UHFFFAOYSA-N 2 1 345.447 1.913 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccn(C)n3)CC2(C)C)CC[N@@H+]1C ZINC000940756570 700891942 /nfs/dbraw/zinc/89/19/42/700891942.db2.gz BZBUADGUTGRQTJ-OIISXLGYSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccn(C)n3)CC2(C)C)CC[N@H+]1C ZINC000940756570 700891944 /nfs/dbraw/zinc/89/19/44/700891944.db2.gz BZBUADGUTGRQTJ-OIISXLGYSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)n3)CC2(C)C)CC[NH+]1C ZINC000940756570 700891946 /nfs/dbraw/zinc/89/19/46/700891946.db2.gz BZBUADGUTGRQTJ-OIISXLGYSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C)n3)CC2(C)C)CC[NH+]1C ZINC000940756570 700891948 /nfs/dbraw/zinc/89/19/48/700891948.db2.gz BZBUADGUTGRQTJ-OIISXLGYSA-N 2 1 347.507 1.477 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)CC2(C)C)C1 ZINC000940972453 701014845 /nfs/dbraw/zinc/01/48/45/701014845.db2.gz MVFMKZUZDYDCAV-IAGOWNOFSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)CC2(C)C)C1 ZINC000940972453 701014847 /nfs/dbraw/zinc/01/48/47/701014847.db2.gz MVFMKZUZDYDCAV-IAGOWNOFSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CC3)CC2(C)C)C1 ZINC000940972453 701014849 /nfs/dbraw/zinc/01/48/49/701014849.db2.gz MVFMKZUZDYDCAV-IAGOWNOFSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CC3)CC2(C)C)C1 ZINC000940972453 701014851 /nfs/dbraw/zinc/01/48/51/701014851.db2.gz MVFMKZUZDYDCAV-IAGOWNOFSA-N 2 1 337.508 1.722 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001031919050 701041110 /nfs/dbraw/zinc/04/11/10/701041110.db2.gz LTJOQKSGBLDKRN-MSOLQXFVSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940991968 701044521 /nfs/dbraw/zinc/04/45/21/701044521.db2.gz UPHHHHFQQGBMIB-HNNXBMFYSA-N 2 1 337.464 1.554 20 0 EDADMP Cc1noc(CN2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C(C)(C)C2)n1 ZINC000941032248 701073690 /nfs/dbraw/zinc/07/36/90/701073690.db2.gz GQCFYDKAETXNBB-HIFRSBDPSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1noc(CN2CC[C@H](NC(=O)CN3CCC[C@H]3C)C(C)(C)C2)n1 ZINC000941032248 701073694 /nfs/dbraw/zinc/07/36/94/701073694.db2.gz GQCFYDKAETXNBB-HIFRSBDPSA-N 2 1 349.479 1.579 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cnnn2C)CC1(C)C ZINC000941033754 701077105 /nfs/dbraw/zinc/07/71/05/701077105.db2.gz UMKHUKSRNNOKBP-GDBMZVCRSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cnnn2C)CC1(C)C ZINC000941033754 701077108 /nfs/dbraw/zinc/07/71/08/701077108.db2.gz UMKHUKSRNNOKBP-GDBMZVCRSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)CC1(C)C ZINC000941033754 701077110 /nfs/dbraw/zinc/07/71/10/701077110.db2.gz UMKHUKSRNNOKBP-GDBMZVCRSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)CC1(C)C ZINC000941033754 701077113 /nfs/dbraw/zinc/07/71/13/701077113.db2.gz UMKHUKSRNNOKBP-GDBMZVCRSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941216143 701402605 /nfs/dbraw/zinc/40/26/05/701402605.db2.gz CJFSEICTXRTJKD-WBVHZDCISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216143 701402607 /nfs/dbraw/zinc/40/26/07/701402607.db2.gz CJFSEICTXRTJKD-WBVHZDCISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216143 701402609 /nfs/dbraw/zinc/40/26/09/701402609.db2.gz CJFSEICTXRTJKD-WBVHZDCISA-N 2 1 348.491 1.960 20 0 EDADMP CC(C)[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408633 701521045 /nfs/dbraw/zinc/52/10/45/701521045.db2.gz NQZJDUBNFUWMKC-SJORKVTESA-N 2 1 334.508 1.098 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3cc(C)cc(C)c3)C2)C1 ZINC001032197735 701741984 /nfs/dbraw/zinc/74/19/84/701741984.db2.gz UPRIFDJKKFCCAT-IBGZPJMESA-N 2 1 345.487 1.572 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3cc(C)cc(C)c3)C2)C1 ZINC001032197735 701741990 /nfs/dbraw/zinc/74/19/90/701741990.db2.gz UPRIFDJKKFCCAT-IBGZPJMESA-N 2 1 345.487 1.572 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032129298 701817569 /nfs/dbraw/zinc/81/75/69/701817569.db2.gz UXDNIMCQPLOVMA-NVXWUHKLSA-N 2 1 348.491 1.905 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001031976532 701966914 /nfs/dbraw/zinc/96/69/14/701966914.db2.gz OAJYPPFPUIZVFN-KSSFIOAISA-N 2 1 340.471 1.914 20 0 EDADMP C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000944046919 702011270 /nfs/dbraw/zinc/01/12/70/702011270.db2.gz MKRVZKGZDWXQPH-YJBOKZPZSA-N 2 1 337.508 1.317 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2F)C1 ZINC001031977358 702019127 /nfs/dbraw/zinc/01/91/27/702019127.db2.gz YNJNHXVPLUPQQU-ZBFHGGJFSA-N 2 1 349.450 1.450 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2F)C1 ZINC001031977358 702019135 /nfs/dbraw/zinc/01/91/35/702019135.db2.gz YNJNHXVPLUPQQU-ZBFHGGJFSA-N 2 1 349.450 1.450 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000995805217 702050277 /nfs/dbraw/zinc/05/02/77/702050277.db2.gz TWTVNASJAMEUJM-CABCVRRESA-N 2 1 335.452 1.269 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000995805217 702050287 /nfs/dbraw/zinc/05/02/87/702050287.db2.gz TWTVNASJAMEUJM-CABCVRRESA-N 2 1 335.452 1.269 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2nncs2)C(C)(C)C1)C1CC1 ZINC000995892139 702191184 /nfs/dbraw/zinc/19/11/84/702191184.db2.gz FBVMHSWYLFGFQA-TZMCWYRMSA-N 2 1 337.493 1.205 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)oc1C ZINC000995893759 702195356 /nfs/dbraw/zinc/19/53/56/702195356.db2.gz JDFATNZGJRCGHE-RDJZCZTQSA-N 2 1 348.491 1.958 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000995886865 702223243 /nfs/dbraw/zinc/22/32/43/702223243.db2.gz OJJHBOJQSMDDCS-IAGOWNOFSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)o1 ZINC000995927209 702255285 /nfs/dbraw/zinc/25/52/85/702255285.db2.gz RHMUHYCGZSTFCU-ZBFHGGJFSA-N 2 1 336.480 1.896 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC001032185789 702308763 /nfs/dbraw/zinc/30/87/63/702308763.db2.gz CBYHOIPNZXZGRP-UKRRQHHQSA-N 2 1 329.435 1.812 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)C(C)(C)C2)O1 ZINC000995957039 702322875 /nfs/dbraw/zinc/32/28/75/702322875.db2.gz JHXYDJZXQKJVQV-DJIMGWMZSA-N 2 1 346.475 1.127 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)C(C)(C)C2)O1 ZINC000995957039 702322881 /nfs/dbraw/zinc/32/28/81/702322881.db2.gz JHXYDJZXQKJVQV-DJIMGWMZSA-N 2 1 346.475 1.127 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000995974074 702358810 /nfs/dbraw/zinc/35/88/10/702358810.db2.gz HNBZZCNEGMUOQP-IAGOWNOFSA-N 2 1 330.476 1.893 20 0 EDADMP Cc1nocc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995193665 702369659 /nfs/dbraw/zinc/36/96/59/702369659.db2.gz FCIYQIXBURITBI-ZBFHGGJFSA-N 2 1 331.420 1.563 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nccn3CC)C2)CC[N@H+]1C ZINC000999211223 706663839 /nfs/dbraw/zinc/66/38/39/706663839.db2.gz XQAULDCCNSCOFR-IXDOHACOSA-N 2 1 347.507 1.714 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cc(C)ncn3)C2)CC[N@H+]1C ZINC000999211286 706664027 /nfs/dbraw/zinc/66/40/27/706664027.db2.gz YCOJDBKUJNMVMG-BPQIPLTHSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)o1 ZINC000944167581 702405812 /nfs/dbraw/zinc/40/58/12/702405812.db2.gz FHKIQZCCOGFGOI-XJKSGUPXSA-N 2 1 346.475 1.714 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995195170 702422505 /nfs/dbraw/zinc/42/25/05/702422505.db2.gz ISJICTHCYZWGNM-PBHICJAKSA-N 2 1 345.422 1.800 20 0 EDADMP CCc1cnc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)o1 ZINC000944151539 702434728 /nfs/dbraw/zinc/43/47/28/702434728.db2.gz ACSROZVELXVWEL-HOCLYGCPSA-N 2 1 346.475 1.659 20 0 EDADMP CCc1cnc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)o1 ZINC000944151539 702434734 /nfs/dbraw/zinc/43/47/34/702434734.db2.gz ACSROZVELXVWEL-HOCLYGCPSA-N 2 1 346.475 1.659 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CCC2CCOCC2)C(C)(C)C1 ZINC000996044169 702437612 /nfs/dbraw/zinc/43/76/12/702437612.db2.gz SSRZZJAWDKHNBY-KRWDZBQOSA-N 2 1 348.491 1.835 20 0 EDADMP Cn1ncnc1C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996133608 702563630 /nfs/dbraw/zinc/56/36/30/702563630.db2.gz IMPFPJHMBFIWBD-AWEZNQCLSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CCC3CC3)C(C)(C)C2)C1 ZINC000996185207 702588770 /nfs/dbraw/zinc/58/87/70/702588770.db2.gz GAJANHHFBVNNIA-IRXDYDNUSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CCC3CC3)C(C)(C)C2)C1 ZINC000996185207 702588772 /nfs/dbraw/zinc/58/87/72/702588772.db2.gz GAJANHHFBVNNIA-IRXDYDNUSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996191136 702596136 /nfs/dbraw/zinc/59/61/36/702596136.db2.gz UNPCSLLKYWTOGT-HOTGVXAUSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996191136 702596140 /nfs/dbraw/zinc/59/61/40/702596140.db2.gz UNPCSLLKYWTOGT-HOTGVXAUSA-N 2 1 325.497 1.578 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]([NH2+]CCn3cccn3)C(C)(C)C2)CC[N@H+]1C ZINC000996199259 702625788 /nfs/dbraw/zinc/62/57/88/702625788.db2.gz YZJILNQKVNURGV-ULQDDVLXSA-N 2 1 347.507 1.440 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)CC1 ZINC000996233967 702643780 /nfs/dbraw/zinc/64/37/80/702643780.db2.gz BZAYCXZYDJBJTP-HNNXBMFYSA-N 2 1 331.464 1.145 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)no1 ZINC000996246380 702649794 /nfs/dbraw/zinc/64/97/94/702649794.db2.gz HSWQYFYKZRDLTA-MRXNPFEDSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccccn3)C(C)(C)C2)C1 ZINC000996299871 702690745 /nfs/dbraw/zinc/69/07/45/702690745.db2.gz FZSLOHOFGNRJOT-DOTOQJQBSA-N 2 1 330.476 1.750 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000996300456 702691524 /nfs/dbraw/zinc/69/15/24/702691524.db2.gz MPFDWBIWXDPIIU-DOTOQJQBSA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@@H]([NH2+]CCF)C(C)(C)C2)C1 ZINC000996300452 702691731 /nfs/dbraw/zinc/69/17/31/702691731.db2.gz MONDMIOXMNQJLN-CXAGYDPISA-N 2 1 331.451 1.995 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3ccn(C)n3)C(C)(C)C2)C1 ZINC000996300436 702691873 /nfs/dbraw/zinc/69/18/73/702691873.db2.gz MFDVIFXRKBQQBU-HOCLYGCPSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NCc2ncccn2)C(C)(C)C1 ZINC000996301478 702693312 /nfs/dbraw/zinc/69/33/12/702693312.db2.gz UDUULIYMWLVKEE-LSDHHAIUSA-N 2 1 331.464 1.288 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000996301478 702693314 /nfs/dbraw/zinc/69/33/14/702693314.db2.gz UDUULIYMWLVKEE-LSDHHAIUSA-N 2 1 331.464 1.288 20 0 EDADMP Cc1cnc(CN[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)nc1 ZINC000996301452 702693317 /nfs/dbraw/zinc/69/33/17/702693317.db2.gz SZPIEHBEFUHQGR-GDBMZVCRSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)nc1 ZINC000996301452 702693319 /nfs/dbraw/zinc/69/33/19/702693319.db2.gz SZPIEHBEFUHQGR-GDBMZVCRSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cncs3)C(C)(C)C2)C1 ZINC000996302774 702694701 /nfs/dbraw/zinc/69/47/01/702694701.db2.gz ZGEKPYFXXQTAIB-UKRRQHHQSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)co1 ZINC000942256043 702747527 /nfs/dbraw/zinc/74/75/27/702747527.db2.gz CFEFPSDFRPFYTG-WMLDXEAASA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)co1 ZINC000942256043 702747529 /nfs/dbraw/zinc/74/75/29/702747529.db2.gz CFEFPSDFRPFYTG-WMLDXEAASA-N 2 1 346.475 1.938 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996463351 702790484 /nfs/dbraw/zinc/79/04/84/702790484.db2.gz FIDSWOZXIWJRMO-KRWDZBQOSA-N 2 1 333.480 1.374 20 0 EDADMP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC000996465101 702792205 /nfs/dbraw/zinc/79/22/05/702792205.db2.gz QJBOHWFRJIVDEF-SFHVURJKSA-N 2 1 347.507 1.856 20 0 EDADMP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996479062 702810657 /nfs/dbraw/zinc/81/06/57/702810657.db2.gz VJWXNDHFLMETDX-NVXWUHKLSA-N 2 1 345.491 1.375 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)o1 ZINC000996518442 702854068 /nfs/dbraw/zinc/85/40/68/702854068.db2.gz FHGMXARZLDQKKQ-CQSZACIVSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)no1 ZINC000996518387 702854105 /nfs/dbraw/zinc/85/41/05/702854105.db2.gz DXCNDHSEHWICEE-HNNXBMFYSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518600 702854354 /nfs/dbraw/zinc/85/43/54/702854354.db2.gz LXLGVSYJCFZKAA-NVXWUHKLSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)c(C)o1 ZINC000996615048 702922495 /nfs/dbraw/zinc/92/24/95/702922495.db2.gz OQJPIGCAZCIOTN-HOCLYGCPSA-N 2 1 334.464 1.570 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)c(C)o1 ZINC000996615048 702922497 /nfs/dbraw/zinc/92/24/97/702922497.db2.gz OQJPIGCAZCIOTN-HOCLYGCPSA-N 2 1 334.464 1.570 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996678360 702977138 /nfs/dbraw/zinc/97/71/38/702977138.db2.gz MTZXRAWTQRMEAZ-KRWDZBQOSA-N 2 1 349.479 1.443 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1)[NH+](C)C ZINC000996693822 702991117 /nfs/dbraw/zinc/99/11/17/702991117.db2.gz RQTRMNUNBGNUFK-INIZCTEOSA-N 2 1 349.479 1.614 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2scnc2C)C[C@H]1C ZINC000942518096 703012450 /nfs/dbraw/zinc/01/24/50/703012450.db2.gz MCHLFPHHBKLPFL-DOMZBBRYSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2scnc2C)C[C@H]1C ZINC000942518096 703012453 /nfs/dbraw/zinc/01/24/53/703012453.db2.gz MCHLFPHHBKLPFL-DOMZBBRYSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000996720724 703014533 /nfs/dbraw/zinc/01/45/33/703014533.db2.gz FHKFLOHAQIQAFQ-CRAIPNDOSA-N 2 1 345.491 1.911 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)ncn1 ZINC000996725097 703019619 /nfs/dbraw/zinc/01/96/19/703019619.db2.gz RJOATFHIIKFKTO-QGZVFWFLSA-N 2 1 331.464 1.350 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000996728586 703023524 /nfs/dbraw/zinc/02/35/24/703023524.db2.gz LJAMOKGYSGQTLH-HNNXBMFYSA-N 2 1 349.479 1.758 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000996728586 703023525 /nfs/dbraw/zinc/02/35/25/703023525.db2.gz LJAMOKGYSGQTLH-HNNXBMFYSA-N 2 1 349.479 1.758 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(NCc2nc(C3CC3)no2)CC1 ZINC000996730186 703026870 /nfs/dbraw/zinc/02/68/70/703026870.db2.gz QELJACQUVVFDIR-HNNXBMFYSA-N 2 1 347.463 1.512 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000996730186 703026874 /nfs/dbraw/zinc/02/68/74/703026874.db2.gz QELJACQUVVFDIR-HNNXBMFYSA-N 2 1 347.463 1.512 20 0 EDADMP CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000996730504 703027238 /nfs/dbraw/zinc/02/72/38/703027238.db2.gz UJDQSSOSVHVSOY-INIZCTEOSA-N 2 1 348.495 1.171 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccnc2)C1 ZINC001032027683 703050498 /nfs/dbraw/zinc/05/04/98/703050498.db2.gz XRNBPKJZDTUKFL-SFHVURJKSA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccnc2)C1 ZINC001032027683 703050501 /nfs/dbraw/zinc/05/05/01/703050501.db2.gz XRNBPKJZDTUKFL-SFHVURJKSA-N 2 1 330.476 1.893 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH+]2CCN(CCF)CC2)CC1 ZINC000996764220 703056572 /nfs/dbraw/zinc/05/65/72/703056572.db2.gz LKTUFLVIPCNUIH-JCYILVPMSA-N 2 1 340.487 1.095 20 0 EDADMP O=C(C[NH+]1CCCC1)NC1CCC(N2CC[NH+](CC3CC3)CC2)CC1 ZINC000996804979 703095007 /nfs/dbraw/zinc/09/50/07/703095007.db2.gz ZDRYQXAZXKYMIC-UHFFFAOYSA-N 2 1 348.535 1.537 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000996903931 703178253 /nfs/dbraw/zinc/17/82/53/703178253.db2.gz LFDYQKDMMDNNJX-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC000996945981 703214677 /nfs/dbraw/zinc/21/46/77/703214677.db2.gz MFILREBGUWMHGQ-UHFFFAOYSA-N 2 1 349.479 1.615 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccns2)CC1 ZINC000996980604 703235976 /nfs/dbraw/zinc/23/59/76/703235976.db2.gz SLEOHOULTBTCQK-CJNGLKHVSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)on1 ZINC000996981896 703236618 /nfs/dbraw/zinc/23/66/18/703236618.db2.gz YKGGCEQYPHPDER-RHSMWYFYSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)s1 ZINC000996996213 703253796 /nfs/dbraw/zinc/25/37/96/703253796.db2.gz WJVSCNXTYSJANB-LBPRGKRZSA-N 2 1 337.493 1.411 20 0 EDADMP CCn1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)nn1 ZINC000996999247 703256212 /nfs/dbraw/zinc/25/62/12/703256212.db2.gz MZFALFGFRSUNDZ-UHFFFAOYSA-N 2 1 348.495 1.111 20 0 EDADMP CCc1nocc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997008971 703261637 /nfs/dbraw/zinc/26/16/37/703261637.db2.gz NPTVAOWWNAPLAJ-BBRMVZONSA-N 2 1 334.464 1.515 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000997005062 703262490 /nfs/dbraw/zinc/26/24/90/703262490.db2.gz CBIXOBAAUMFOTD-SWLSCSKDSA-N 2 1 329.435 1.810 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)nc1 ZINC000997009047 703267173 /nfs/dbraw/zinc/26/71/73/703267173.db2.gz XOHNXNRCZJIVLA-UHFFFAOYSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)ncn1 ZINC000997010903 703270911 /nfs/dbraw/zinc/27/09/11/703270911.db2.gz UQNLFHCBIJUDAK-CXAGYDPISA-N 2 1 331.464 1.063 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC000997010580 703270975 /nfs/dbraw/zinc/27/09/75/703270975.db2.gz SOWOTAHXMSKKSU-GUYCJALGSA-N 2 1 346.475 1.830 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000997063026 703307976 /nfs/dbraw/zinc/30/79/76/703307976.db2.gz KSVPSPWHTOADFV-UHFFFAOYSA-N 2 1 344.463 1.521 20 0 EDADMP CC1(C)CC(C[NH2+]C2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC000997093756 703341336 /nfs/dbraw/zinc/34/13/36/703341336.db2.gz NEZRRZRWCHNJJG-UHFFFAOYSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997271436 703533800 /nfs/dbraw/zinc/53/38/00/703533800.db2.gz KKWFCSNPCBDTFI-NVXWUHKLSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997271436 703533801 /nfs/dbraw/zinc/53/38/01/703533801.db2.gz KKWFCSNPCBDTFI-NVXWUHKLSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)(C)c1nnc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC000997307540 703565924 /nfs/dbraw/zinc/56/59/24/703565924.db2.gz ULSZXYAZBQDLAX-UHFFFAOYSA-N 2 1 349.479 1.544 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000997308681 703566584 /nfs/dbraw/zinc/56/65/84/703566584.db2.gz HFBVBSKQBWCQEI-CRAIPNDOSA-N 2 1 332.448 1.199 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000997310119 703567218 /nfs/dbraw/zinc/56/72/18/703567218.db2.gz OEFMHCIBQHYOAL-ZDUSSCGKSA-N 2 1 328.420 1.323 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)[nH]1 ZINC000997361445 703595459 /nfs/dbraw/zinc/59/54/59/703595459.db2.gz VEOIIGKNHRACKI-BETUJISGSA-N 2 1 334.468 1.067 20 0 EDADMP Cc1ncoc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997514672 703764884 /nfs/dbraw/zinc/76/48/84/703764884.db2.gz IDMVFTYUIFORJW-XJKSGUPXSA-N 2 1 334.464 1.794 20 0 EDADMP CN(C)c1ccnc(CNC(=O)N[C@H]2CCN(c3ccccn3)C2)c1 ZINC000921626370 703768611 /nfs/dbraw/zinc/76/86/11/703768611.db2.gz AKXGQIGJZJSOOR-AWEZNQCLSA-N 2 1 340.431 1.621 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCCO1)C12CCC[NH+]1CCC2 ZINC001032497928 703795627 /nfs/dbraw/zinc/79/56/27/703795627.db2.gz DTSXAWYBKUXBGL-YESZJQIVSA-N 2 1 333.476 1.469 20 0 EDADMP Cc1nonc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997595416 703884772 /nfs/dbraw/zinc/88/47/72/703884772.db2.gz CFGGPJLHZARHFR-JGGQBBKZSA-N 2 1 349.479 1.435 20 0 EDADMP Cc1nonc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997595416 703884774 /nfs/dbraw/zinc/88/47/74/703884774.db2.gz CFGGPJLHZARHFR-JGGQBBKZSA-N 2 1 349.479 1.435 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997596225 703885225 /nfs/dbraw/zinc/88/52/25/703885225.db2.gz LFJSRKWPKNYCEP-HDMKZQKVSA-N 2 1 347.507 1.477 20 0 EDADMP CCc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000997611459 703911141 /nfs/dbraw/zinc/91/11/41/703911141.db2.gz FSAGQXHEQXGJNA-MRXNPFEDSA-N 2 1 348.491 1.968 20 0 EDADMP CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000997614547 703914413 /nfs/dbraw/zinc/91/44/13/703914413.db2.gz SDLDONUFBNPCBM-YJBOKZPZSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922547695 703953515 /nfs/dbraw/zinc/95/35/15/703953515.db2.gz OVLXGSJBROVWMB-PMPSAXMXSA-N 2 1 342.553 1.986 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922547695 703953517 /nfs/dbraw/zinc/95/35/17/703953517.db2.gz OVLXGSJBROVWMB-PMPSAXMXSA-N 2 1 342.553 1.986 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000922547695 703953520 /nfs/dbraw/zinc/95/35/20/703953520.db2.gz OVLXGSJBROVWMB-PMPSAXMXSA-N 2 1 342.553 1.986 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001004206573 703964505 /nfs/dbraw/zinc/96/45/05/703964505.db2.gz FDXHWSAPYUYVFR-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001004208424 703968921 /nfs/dbraw/zinc/96/89/21/703968921.db2.gz PBZBMUKNTXMDJX-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)s1 ZINC000995554481 703970978 /nfs/dbraw/zinc/97/09/78/703970978.db2.gz WZOJCNMCZFWLBJ-ZIAGYGMSSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1ncoc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033071363 704092534 /nfs/dbraw/zinc/09/25/34/704092534.db2.gz ZKQNIOIWADOUNO-HOTGVXAUSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1ncoc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033071363 704092536 /nfs/dbraw/zinc/09/25/36/704092536.db2.gz ZKQNIOIWADOUNO-HOTGVXAUSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033071363 704092538 /nfs/dbraw/zinc/09/25/38/704092538.db2.gz ZKQNIOIWADOUNO-HOTGVXAUSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033071363 704092539 /nfs/dbraw/zinc/09/25/39/704092539.db2.gz ZKQNIOIWADOUNO-HOTGVXAUSA-N 2 1 334.464 1.889 20 0 EDADMP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000999292680 706789198 /nfs/dbraw/zinc/78/91/98/706789198.db2.gz FBBFSEXJNVIGRB-JUVOFCAFSA-N 2 1 347.507 1.712 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC001033082254 704138661 /nfs/dbraw/zinc/13/86/61/704138661.db2.gz PKEBHCNQCZHMBE-GOEBONIOSA-N 2 1 334.489 1.518 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001033082254 704138665 /nfs/dbraw/zinc/13/86/65/704138665.db2.gz PKEBHCNQCZHMBE-GOEBONIOSA-N 2 1 334.489 1.518 20 0 EDADMP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033082679 704139829 /nfs/dbraw/zinc/13/98/29/704139829.db2.gz UHFKRZWRUHPFCJ-SJLPKXTDSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033082679 704139832 /nfs/dbraw/zinc/13/98/32/704139832.db2.gz UHFKRZWRUHPFCJ-SJLPKXTDSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033082679 704139834 /nfs/dbraw/zinc/13/98/34/704139834.db2.gz UHFKRZWRUHPFCJ-SJLPKXTDSA-N 2 1 337.508 1.820 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cc(C)no3)C2)CC[N@@H+]1C ZINC001033096427 704184660 /nfs/dbraw/zinc/18/46/60/704184660.db2.gz MQXXXKVPSPEUSN-BHYGNILZSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cc(C)no3)C2)CC[N@H+]1C ZINC001033096427 704184662 /nfs/dbraw/zinc/18/46/62/704184662.db2.gz MQXXXKVPSPEUSN-BHYGNILZSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(C)no3)C2)CC[NH+]1C ZINC001033096427 704184663 /nfs/dbraw/zinc/18/46/63/704184663.db2.gz MQXXXKVPSPEUSN-BHYGNILZSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(C)no3)C2)CC[NH+]1C ZINC001033096427 704184664 /nfs/dbraw/zinc/18/46/64/704184664.db2.gz MQXXXKVPSPEUSN-BHYGNILZSA-N 2 1 334.464 1.746 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999307254 706807094 /nfs/dbraw/zinc/80/70/94/706807094.db2.gz MZASDKJRAXESGW-HZPDHXFCSA-N 2 1 331.464 1.432 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999307254 706807097 /nfs/dbraw/zinc/80/70/97/706807097.db2.gz MZASDKJRAXESGW-HZPDHXFCSA-N 2 1 331.464 1.432 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004435321 704409725 /nfs/dbraw/zinc/40/97/25/704409725.db2.gz AFCPPMRTESPNOS-RTBURBONSA-N 2 1 349.519 1.678 20 0 EDADMP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032538424 704588686 /nfs/dbraw/zinc/58/86/86/704588686.db2.gz QMOKFLZLFZEMNB-GBESFXJTSA-N 2 1 347.503 1.573 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000997707992 704599000 /nfs/dbraw/zinc/59/90/00/704599000.db2.gz IOBVURPFGIHJMU-LZLYRXPVSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000997723745 704619843 /nfs/dbraw/zinc/61/98/43/704619843.db2.gz WTKVZFXTNXOJBR-JZXOWHBKSA-N 2 1 337.508 1.724 20 0 EDADMP Cn1ccc(C[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000997830233 704748609 /nfs/dbraw/zinc/74/86/09/704748609.db2.gz FSRFJXQUWRFDLB-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997839128 704754590 /nfs/dbraw/zinc/75/45/90/704754590.db2.gz GMSZFFQOQUPUEA-KRWDZBQOSA-N 2 1 334.464 1.877 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944919481 704771146 /nfs/dbraw/zinc/77/11/46/704771146.db2.gz OGQJKJSBVZCDKL-CXAGYDPISA-N 2 1 334.464 1.714 20 0 EDADMP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997868355 704773627 /nfs/dbraw/zinc/77/36/27/704773627.db2.gz TYQVVZQDSPJCIN-KBXCAEBGSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cncc(F)c2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944916 704797988 /nfs/dbraw/zinc/79/79/88/704797988.db2.gz OJXQIYNTSDNMCN-PBHICJAKSA-N 2 1 334.439 1.643 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944916 704797989 /nfs/dbraw/zinc/79/79/89/704797989.db2.gz OJXQIYNTSDNMCN-PBHICJAKSA-N 2 1 334.439 1.643 20 0 EDADMP CCn1nnc(C)c1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944945914 704799149 /nfs/dbraw/zinc/79/91/49/704799149.db2.gz UIUWXWMWQFMJKF-ZBFHGGJFSA-N 2 1 348.495 1.029 20 0 EDADMP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C)C1CCCC1 ZINC001032564614 704820109 /nfs/dbraw/zinc/82/01/09/704820109.db2.gz UQNWXOPNMGLKJD-WNRNVDISSA-N 2 1 335.492 1.571 20 0 EDADMP CO[C@H](C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001032564614 704820115 /nfs/dbraw/zinc/82/01/15/704820115.db2.gz UQNWXOPNMGLKJD-WNRNVDISSA-N 2 1 335.492 1.571 20 0 EDADMP CO[C@H](C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001032564614 704820117 /nfs/dbraw/zinc/82/01/17/704820117.db2.gz UQNWXOPNMGLKJD-WNRNVDISSA-N 2 1 335.492 1.571 20 0 EDADMP CCn1ccc(C[NH2+]CC2CCN(C(=O)Cn3c[nH+]cc3C)CC2)n1 ZINC000997916360 704981661 /nfs/dbraw/zinc/98/16/61/704981661.db2.gz RZRUFVLYKKYLRQ-UHFFFAOYSA-N 2 1 344.463 1.436 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2ccn(C)n2)CC1 ZINC000997950336 705076668 /nfs/dbraw/zinc/07/66/68/705076668.db2.gz RQPOUQYTLPGDDH-QZTJIDSGSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)CC1 ZINC000997950336 705076673 /nfs/dbraw/zinc/07/66/73/705076673.db2.gz RQPOUQYTLPGDDH-QZTJIDSGSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2ccn(C)n2)CC1 ZINC000997950336 705076678 /nfs/dbraw/zinc/07/66/78/705076678.db2.gz RQPOUQYTLPGDDH-QZTJIDSGSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2ccn(C)n2)CC1 ZINC000997950336 705076684 /nfs/dbraw/zinc/07/66/84/705076684.db2.gz RQPOUQYTLPGDDH-QZTJIDSGSA-N 2 1 347.507 1.717 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(C)(C)C2)C1 ZINC001032587639 705118856 /nfs/dbraw/zinc/11/88/56/705118856.db2.gz NTCCXBMPXFWECA-OKZBNKHCSA-N 2 1 349.519 1.817 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(C)(C)C2)C1 ZINC001032587639 705118857 /nfs/dbraw/zinc/11/88/57/705118857.db2.gz NTCCXBMPXFWECA-OKZBNKHCSA-N 2 1 349.519 1.817 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(C)(C)C2)C1 ZINC001032587639 705118860 /nfs/dbraw/zinc/11/88/60/705118860.db2.gz NTCCXBMPXFWECA-OKZBNKHCSA-N 2 1 349.519 1.817 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(C)(C)C2)C1 ZINC001032587639 705118863 /nfs/dbraw/zinc/11/88/63/705118863.db2.gz NTCCXBMPXFWECA-OKZBNKHCSA-N 2 1 349.519 1.817 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000998012170 705184665 /nfs/dbraw/zinc/18/46/65/705184665.db2.gz MSSIKLBCZLUCDP-IXDOHACOSA-N 2 1 325.497 1.412 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCC[NH+](CCCO)CC1 ZINC000998012170 705184666 /nfs/dbraw/zinc/18/46/66/705184666.db2.gz MSSIKLBCZLUCDP-IXDOHACOSA-N 2 1 325.497 1.412 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCC[NH+](CCCO)CC1 ZINC000998012170 705184669 /nfs/dbraw/zinc/18/46/69/705184669.db2.gz MSSIKLBCZLUCDP-IXDOHACOSA-N 2 1 325.497 1.412 20 0 EDADMP CC1CC(C[NH2+]CC2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC000998153007 705428069 /nfs/dbraw/zinc/42/80/69/705428069.db2.gz FYGISVRFFRZGBT-UHFFFAOYSA-N 2 1 337.508 1.583 20 0 EDADMP CCOC1CC(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000998270532 705647564 /nfs/dbraw/zinc/64/75/64/705647564.db2.gz UBHBHUOSRWNZSB-UHFFFAOYSA-N 2 1 348.491 1.835 20 0 EDADMP CC(C)c1nc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000998273491 705653924 /nfs/dbraw/zinc/65/39/24/705653924.db2.gz QTBNYGAXNIUACB-HNNXBMFYSA-N 2 1 349.479 1.473 20 0 EDADMP CC(C)c1nc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000998273491 705653927 /nfs/dbraw/zinc/65/39/27/705653927.db2.gz QTBNYGAXNIUACB-HNNXBMFYSA-N 2 1 349.479 1.473 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)no1 ZINC000998276166 705661692 /nfs/dbraw/zinc/66/16/92/705661692.db2.gz YRMFVGMRMHVPKP-ZDUSSCGKSA-N 2 1 335.452 1.363 20 0 EDADMP CC(C)Cc1nc(CNC2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)no1 ZINC000998537003 705970746 /nfs/dbraw/zinc/97/07/46/705970746.db2.gz YOJZSFNGUNVIRC-NRXISQOPSA-N 2 1 349.479 1.441 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000998547999 705983410 /nfs/dbraw/zinc/98/34/10/705983410.db2.gz FEXACFFMTQEFPM-BCLQGDPASA-N 2 1 348.495 1.206 20 0 EDADMP CN(C)c1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998721078 706148466 /nfs/dbraw/zinc/14/84/66/706148466.db2.gz KZMLNKKTLMIBTH-PKOBYXMFSA-N 2 1 344.503 1.927 20 0 EDADMP Cc1nc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cs1 ZINC000998722702 706154399 /nfs/dbraw/zinc/15/43/99/706154399.db2.gz PYBMZEPQNYNFOA-HOCLYGCPSA-N 2 1 336.505 1.669 20 0 EDADMP COc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000998721434 706156756 /nfs/dbraw/zinc/15/67/56/706156756.db2.gz MAEPXTSVRYLXSJ-YOEHRIQHSA-N 2 1 332.448 1.265 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000998763561 706202482 /nfs/dbraw/zinc/20/24/82/706202482.db2.gz NRDMCACWFYBRHJ-JCYILVPMSA-N 2 1 333.480 1.335 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCc3ccccc3F)C2)C1 ZINC000998821300 706268054 /nfs/dbraw/zinc/26/80/54/706268054.db2.gz CXYFQECBIVQCQI-SJLPKXTDSA-N 2 1 349.450 1.279 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCc3ccccc3F)C2)C1 ZINC000998821300 706268056 /nfs/dbraw/zinc/26/80/56/706268056.db2.gz CXYFQECBIVQCQI-SJLPKXTDSA-N 2 1 349.450 1.279 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000998868357 706297543 /nfs/dbraw/zinc/29/75/43/706297543.db2.gz XBPMZIQOZDNAJY-UYSNPLJNSA-N 2 1 333.480 1.374 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2CC([NH2+]CCn3cccn3)C2)C1 ZINC000998890160 706317057 /nfs/dbraw/zinc/31/70/57/706317057.db2.gz ZDYZCZQYVXDIJC-WWDZGPRUSA-N 2 1 347.507 1.440 20 0 EDADMP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC000999126260 706550657 /nfs/dbraw/zinc/55/06/57/706550657.db2.gz LYEXDMDDTDBZTP-UHFFFAOYSA-N 2 1 343.431 1.374 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC000999351267 706864356 /nfs/dbraw/zinc/86/43/56/706864356.db2.gz DUFZLBXSYCUZEM-JKSUJKDBSA-N 2 1 348.495 1.159 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000999373619 706867968 /nfs/dbraw/zinc/86/79/68/706867968.db2.gz QVYSBIDLMRUHEU-DLBZAZTESA-N 2 1 339.443 1.936 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC000999406832 706916170 /nfs/dbraw/zinc/91/61/70/706916170.db2.gz ACIQZKVZJFHJNR-WLYUNCDWSA-N 2 1 349.479 1.614 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC000999406832 706916172 /nfs/dbraw/zinc/91/61/72/706916172.db2.gz ACIQZKVZJFHJNR-WLYUNCDWSA-N 2 1 349.479 1.614 20 0 EDADMP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)cn1 ZINC000999406896 706916494 /nfs/dbraw/zinc/91/64/94/706916494.db2.gz BOPPVPGDYHWLCZ-ZLPCBKJTSA-N 2 1 347.507 1.366 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)oc1C ZINC000999432577 706940246 /nfs/dbraw/zinc/94/02/46/706940246.db2.gz HSTJLMCWOYHSPT-WBVHZDCISA-N 2 1 336.480 1.958 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000999504424 707001778 /nfs/dbraw/zinc/00/17/78/707001778.db2.gz CUNOFZCMDZMIMT-VMBOVVBDSA-N 2 1 349.479 1.720 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000999504424 707001779 /nfs/dbraw/zinc/00/17/79/707001779.db2.gz CUNOFZCMDZMIMT-VMBOVVBDSA-N 2 1 349.479 1.720 20 0 EDADMP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999506540 707003791 /nfs/dbraw/zinc/00/37/91/707003791.db2.gz BOHRIRGUQAKILR-MSOLQXFVSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1nnsc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999507875 707005342 /nfs/dbraw/zinc/00/53/42/707005342.db2.gz FRODVZWNGMTIAL-UONOGXRCSA-N 2 1 337.493 1.411 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999510969 707009261 /nfs/dbraw/zinc/00/92/61/707009261.db2.gz MJWUQTNXDSLCRN-IAGOWNOFSA-N 2 1 334.439 1.786 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999511840 707010623 /nfs/dbraw/zinc/01/06/23/707010623.db2.gz MQXUWKIRTMNXKW-NVXWUHKLSA-N 2 1 348.495 1.171 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000999511840 707010626 /nfs/dbraw/zinc/01/06/26/707010626.db2.gz MQXUWKIRTMNXKW-NVXWUHKLSA-N 2 1 348.495 1.171 20 0 EDADMP Cn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC000999515136 707014012 /nfs/dbraw/zinc/01/40/12/707014012.db2.gz XRTKAQHDIWEFFO-DLBZAZTESA-N 2 1 333.480 1.028 20 0 EDADMP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776400 707209565 /nfs/dbraw/zinc/20/95/65/707209565.db2.gz MTQPPTILDFHWBK-YESZJQIVSA-N 2 1 337.508 1.270 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)sn1 ZINC000999687773 707241527 /nfs/dbraw/zinc/24/15/27/707241527.db2.gz JQKWXMPQGOXWGE-WLYUNCDWSA-N 2 1 336.505 1.872 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033255628 707245501 /nfs/dbraw/zinc/24/55/01/707245501.db2.gz KYMVETYUHGDKLT-ZBFHGGJFSA-N 2 1 343.431 1.449 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cnc(C)cn2)C1 ZINC000999722189 707254703 /nfs/dbraw/zinc/25/47/03/707254703.db2.gz AHPVEEBJSXLIGC-HZPDHXFCSA-N 2 1 342.447 1.632 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC001033266367 707292928 /nfs/dbraw/zinc/29/29/28/707292928.db2.gz OKKPGUNRANLXPC-KRWDZBQOSA-N 2 1 327.432 1.628 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC001033266367 707292930 /nfs/dbraw/zinc/29/29/30/707292930.db2.gz OKKPGUNRANLXPC-KRWDZBQOSA-N 2 1 327.432 1.628 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000999705754 707296170 /nfs/dbraw/zinc/29/61/70/707296170.db2.gz GSIUYVSHNARFAA-UHFFFAOYSA-N 2 1 347.463 1.197 20 0 EDADMP Cc1cncn1CC(=O)N(C)[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033268288 707308501 /nfs/dbraw/zinc/30/85/01/707308501.db2.gz XRKVUBCNFWEZKE-AWEZNQCLSA-N 2 1 333.461 1.423 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033268288 707308507 /nfs/dbraw/zinc/30/85/07/707308507.db2.gz XRKVUBCNFWEZKE-AWEZNQCLSA-N 2 1 333.461 1.423 20 0 EDADMP CN(C(=O)Cn1c[nH+]c2c1CCCC2)[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033269723 707317395 /nfs/dbraw/zinc/31/73/95/707317395.db2.gz UYDAHSQTLBHLLD-HOTGVXAUSA-N 2 1 346.475 1.331 20 0 EDADMP CN(C(=O)Cn1c[nH+]c2c1CCCC2)[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033269723 707317400 /nfs/dbraw/zinc/31/74/00/707317400.db2.gz UYDAHSQTLBHLLD-HOTGVXAUSA-N 2 1 346.475 1.331 20 0 EDADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC000999763752 707318343 /nfs/dbraw/zinc/31/83/43/707318343.db2.gz ILSQYYZXHOTRGH-AGYKMIKPSA-N 2 1 347.503 1.620 20 0 EDADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001033270295 707320454 /nfs/dbraw/zinc/32/04/54/707320454.db2.gz DBCXIWZKANBOED-YJBOKZPZSA-N 2 1 342.443 1.907 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295858 707404747 /nfs/dbraw/zinc/40/47/47/707404747.db2.gz NXKBEASFWDWWIJ-ROUUACIJSA-N 2 1 346.475 1.890 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295858 707404750 /nfs/dbraw/zinc/40/47/50/707404750.db2.gz NXKBEASFWDWWIJ-ROUUACIJSA-N 2 1 346.475 1.890 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)o1 ZINC001033197149 707414867 /nfs/dbraw/zinc/41/48/67/707414867.db2.gz HDXHMGDQTNVZFV-CVEARBPZSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)o1 ZINC001033197149 707414869 /nfs/dbraw/zinc/41/48/69/707414869.db2.gz HDXHMGDQTNVZFV-CVEARBPZSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)o1 ZINC001033197149 707414872 /nfs/dbraw/zinc/41/48/72/707414872.db2.gz HDXHMGDQTNVZFV-CVEARBPZSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)o1 ZINC001033197149 707414875 /nfs/dbraw/zinc/41/48/75/707414875.db2.gz HDXHMGDQTNVZFV-CVEARBPZSA-N 2 1 334.464 1.808 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(F)cc3)C2)C1 ZINC000999860347 707431416 /nfs/dbraw/zinc/43/14/16/707431416.db2.gz ADZWZXSAKDPMPX-ABHNRTSZSA-N 2 1 349.450 1.625 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(F)cc3)C2)C1 ZINC000999860347 707431422 /nfs/dbraw/zinc/43/14/22/707431422.db2.gz ADZWZXSAKDPMPX-ABHNRTSZSA-N 2 1 349.450 1.625 20 0 EDADMP C[C@H]([NH2+]Cc1cnn(C)n1)[C@H]1CCCCN1C(=O)CCc1ncc[nH]1 ZINC001004848478 707447043 /nfs/dbraw/zinc/44/70/43/707447043.db2.gz PJYWIHUGIMTIPV-DZGCQCFKSA-N 2 1 345.451 1.030 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]CCc2ccccc2F)C1 ZINC000999828987 707457935 /nfs/dbraw/zinc/45/79/35/707457935.db2.gz HZAHIZLLXZPSNL-GTPINHCMSA-N 2 1 333.451 1.899 20 0 EDADMP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999831275 707461121 /nfs/dbraw/zinc/46/11/21/707461121.db2.gz JXRHHWABVJQGAB-GTPINHCMSA-N 2 1 333.480 1.031 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nc3c(o2)CCCC3)C1 ZINC000999832169 707462697 /nfs/dbraw/zinc/46/26/97/707462697.db2.gz PMRFPXDKLPJTDX-NFOMZHRRSA-N 2 1 346.475 1.584 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nc3c(o2)CCCC3)C1 ZINC000999832169 707462699 /nfs/dbraw/zinc/46/26/99/707462699.db2.gz PMRFPXDKLPJTDX-NFOMZHRRSA-N 2 1 346.475 1.584 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC000999862260 707500116 /nfs/dbraw/zinc/50/01/16/707500116.db2.gz NFTAFHLYPJIZJT-ABHNRTSZSA-N 2 1 349.519 1.866 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC000999862260 707500121 /nfs/dbraw/zinc/50/01/21/707500121.db2.gz NFTAFHLYPJIZJT-ABHNRTSZSA-N 2 1 349.519 1.866 20 0 EDADMP Cc1nnc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)[nH]1 ZINC000999877318 707526191 /nfs/dbraw/zinc/52/61/91/707526191.db2.gz ROFHLXGYAUUERK-DZGCQCFKSA-N 2 1 348.495 1.629 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999993899 707671457 /nfs/dbraw/zinc/67/14/57/707671457.db2.gz WWIIEQNZAFCGFC-SJORKVTESA-N 2 1 348.495 1.422 20 0 EDADMP CC(C)[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999993899 707671459 /nfs/dbraw/zinc/67/14/59/707671459.db2.gz WWIIEQNZAFCGFC-SJORKVTESA-N 2 1 348.495 1.422 20 0 EDADMP CC(C)[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)nn2)C1 ZINC000999993899 707671462 /nfs/dbraw/zinc/67/14/62/707671462.db2.gz WWIIEQNZAFCGFC-SJORKVTESA-N 2 1 348.495 1.422 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cscn3)C2)CC[N@@H+]1C ZINC001000006365 707685874 /nfs/dbraw/zinc/68/58/74/707685874.db2.gz MYBUBVMZWUAMLP-SOUVJXGZSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cscn3)C2)CC[N@H+]1C ZINC001000006365 707685877 /nfs/dbraw/zinc/68/58/77/707685877.db2.gz MYBUBVMZWUAMLP-SOUVJXGZSA-N 2 1 336.505 1.954 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCCNCc2nccc3c2CCCC3)C1 ZINC000921689507 707701420 /nfs/dbraw/zinc/70/14/20/707701420.db2.gz FKUJRRJNRKSNFF-INIZCTEOSA-N 2 1 330.476 1.637 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033372094 707707512 /nfs/dbraw/zinc/70/75/12/707707512.db2.gz CGFYBCFPYOIHSL-QGZVFWFLSA-N 2 1 349.475 1.914 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033372094 707707515 /nfs/dbraw/zinc/70/75/15/707707515.db2.gz CGFYBCFPYOIHSL-QGZVFWFLSA-N 2 1 349.475 1.914 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](CCOc3ccccc3)C2)C1 ZINC001033415441 707791897 /nfs/dbraw/zinc/79/18/97/707791897.db2.gz IQTMRCPAAAKZCN-ROUUACIJSA-N 2 1 345.487 1.940 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CCOc3ccccc3)C2)C1 ZINC001033415441 707791900 /nfs/dbraw/zinc/79/19/00/707791900.db2.gz IQTMRCPAAAKZCN-ROUUACIJSA-N 2 1 345.487 1.940 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CCOc3ccccc3)C2)C1 ZINC001033415441 707791906 /nfs/dbraw/zinc/79/19/06/707791906.db2.gz IQTMRCPAAAKZCN-ROUUACIJSA-N 2 1 345.487 1.940 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cnns1 ZINC001004993156 707875732 /nfs/dbraw/zinc/87/57/32/707875732.db2.gz QICDQVGDDUWZNU-DOMZBBRYSA-N 2 1 348.476 1.602 20 0 EDADMP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001033230339 707890904 /nfs/dbraw/zinc/89/09/04/707890904.db2.gz MHSHPZIHEHYJTR-RDJZCZTQSA-N 2 1 342.443 1.907 20 0 EDADMP Cc1cc(NC[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nc(C)[nH+]1 ZINC001060933723 707952187 /nfs/dbraw/zinc/95/21/87/707952187.db2.gz SDYSWNVMJBFISZ-PBHICJAKSA-N 2 1 331.464 1.694 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCOC2CCCCCC2)C1 ZINC001032780721 707965553 /nfs/dbraw/zinc/96/55/53/707965553.db2.gz BPSGFFUFLPASNF-BZSNNMDCSA-N 2 1 349.519 1.963 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOC2CCCCCC2)C1 ZINC001032780721 707965556 /nfs/dbraw/zinc/96/55/56/707965556.db2.gz BPSGFFUFLPASNF-BZSNNMDCSA-N 2 1 349.519 1.963 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOC2CCCCCC2)C1 ZINC001032780721 707965558 /nfs/dbraw/zinc/96/55/58/707965558.db2.gz BPSGFFUFLPASNF-BZSNNMDCSA-N 2 1 349.519 1.963 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOC2CCCCCC2)C1 ZINC001032780721 707965561 /nfs/dbraw/zinc/96/55/61/707965561.db2.gz BPSGFFUFLPASNF-BZSNNMDCSA-N 2 1 349.519 1.963 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOC2CCCCCC2)C1 ZINC001032780721 707965563 /nfs/dbraw/zinc/96/55/63/707965563.db2.gz BPSGFFUFLPASNF-BZSNNMDCSA-N 2 1 349.519 1.963 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc3n2CCOC3)[C@H](C)C1 ZINC000921746440 707967652 /nfs/dbraw/zinc/96/76/52/707967652.db2.gz DBAFLVYPNXFQAX-NVXWUHKLSA-N 2 1 336.480 1.640 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc3n2CCOC3)[C@H](C)C1 ZINC000921746440 707967656 /nfs/dbraw/zinc/96/76/56/707967656.db2.gz DBAFLVYPNXFQAX-NVXWUHKLSA-N 2 1 336.480 1.640 20 0 EDADMP COCc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001032781737 707970611 /nfs/dbraw/zinc/97/06/11/707970611.db2.gz HJJROXMEWTYIOJ-FHWLQOOXSA-N 2 1 343.471 1.570 20 0 EDADMP COCc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001032781737 707970613 /nfs/dbraw/zinc/97/06/13/707970613.db2.gz HJJROXMEWTYIOJ-FHWLQOOXSA-N 2 1 343.471 1.570 20 0 EDADMP COCc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001032781737 707970615 /nfs/dbraw/zinc/97/06/15/707970615.db2.gz HJJROXMEWTYIOJ-FHWLQOOXSA-N 2 1 343.471 1.570 20 0 EDADMP COCc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001032781737 707970617 /nfs/dbraw/zinc/97/06/17/707970617.db2.gz HJJROXMEWTYIOJ-FHWLQOOXSA-N 2 1 343.471 1.570 20 0 EDADMP CN(C)c1cccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001032782248 707972370 /nfs/dbraw/zinc/97/23/70/707972370.db2.gz ZKGYZAOOSVHPTM-NEWSRXKRSA-N 2 1 342.487 1.489 20 0 EDADMP CN(C)c1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001032782248 707972371 /nfs/dbraw/zinc/97/23/71/707972371.db2.gz ZKGYZAOOSVHPTM-NEWSRXKRSA-N 2 1 342.487 1.489 20 0 EDADMP CN(C)c1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001032782248 707972372 /nfs/dbraw/zinc/97/23/72/707972372.db2.gz ZKGYZAOOSVHPTM-NEWSRXKRSA-N 2 1 342.487 1.489 20 0 EDADMP CN(C)c1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001032782248 707972373 /nfs/dbraw/zinc/97/23/73/707972373.db2.gz ZKGYZAOOSVHPTM-NEWSRXKRSA-N 2 1 342.487 1.489 20 0 EDADMP CN(C)c1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001032782248 707972374 /nfs/dbraw/zinc/97/23/74/707972374.db2.gz ZKGYZAOOSVHPTM-NEWSRXKRSA-N 2 1 342.487 1.489 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1C)C1CCCC1 ZINC001032784031 707982255 /nfs/dbraw/zinc/98/22/55/707982255.db2.gz DOGAZRUXCGTTHT-BZSNNMDCSA-N 2 1 346.475 1.682 20 0 EDADMP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C)C1CCCC1 ZINC001032784031 707982256 /nfs/dbraw/zinc/98/22/56/707982256.db2.gz DOGAZRUXCGTTHT-BZSNNMDCSA-N 2 1 346.475 1.682 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C)C1CCCC1 ZINC001032784031 707982257 /nfs/dbraw/zinc/98/22/57/707982257.db2.gz DOGAZRUXCGTTHT-BZSNNMDCSA-N 2 1 346.475 1.682 20 0 EDADMP CC[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490150 707984606 /nfs/dbraw/zinc/98/46/06/707984606.db2.gz NURNNNCKSBQQBP-DOTOQJQBSA-N 2 1 335.496 1.637 20 0 EDADMP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001033490951 707985620 /nfs/dbraw/zinc/98/56/20/707985620.db2.gz YZOARFPSHLBXEN-CSPWOOARSA-N 2 1 339.871 1.344 20 0 EDADMP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001033490951 707985622 /nfs/dbraw/zinc/98/56/22/707985622.db2.gz YZOARFPSHLBXEN-CSPWOOARSA-N 2 1 339.871 1.344 20 0 EDADMP Cc1nc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cs1 ZINC001000915508 708076519 /nfs/dbraw/zinc/07/65/19/708076519.db2.gz DNRYJYXJGNHDRC-CABCVRRESA-N 2 1 336.505 1.526 20 0 EDADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032801378 708082779 /nfs/dbraw/zinc/08/27/79/708082779.db2.gz SYPVQMPPOBCCLE-OALUTQOASA-N 2 1 349.519 1.964 20 0 EDADMP Cc1ncccc1C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001151564 708108326 /nfs/dbraw/zinc/10/83/26/708108326.db2.gz MIAYCCAHVVPJRI-HNAYVOBHSA-N 2 1 342.487 1.836 20 0 EDADMP Cc1ncccc1C[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001151564 708108328 /nfs/dbraw/zinc/10/83/28/708108328.db2.gz MIAYCCAHVVPJRI-HNAYVOBHSA-N 2 1 342.487 1.836 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001151564 708108330 /nfs/dbraw/zinc/10/83/30/708108330.db2.gz MIAYCCAHVVPJRI-HNAYVOBHSA-N 2 1 342.487 1.836 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ncn1 ZINC001005185491 708121566 /nfs/dbraw/zinc/12/15/66/708121566.db2.gz RZBCNTFPFMGXKN-KRWDZBQOSA-N 2 1 331.464 1.302 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)ncn1 ZINC001005185491 708121568 /nfs/dbraw/zinc/12/15/68/708121568.db2.gz RZBCNTFPFMGXKN-KRWDZBQOSA-N 2 1 331.464 1.302 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)CC1 ZINC001033530647 708152762 /nfs/dbraw/zinc/15/27/62/708152762.db2.gz FAUKGTPRCOSRGW-QGZVFWFLSA-N 2 1 333.480 1.185 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)CC1 ZINC001033530647 708152767 /nfs/dbraw/zinc/15/27/67/708152767.db2.gz FAUKGTPRCOSRGW-QGZVFWFLSA-N 2 1 333.480 1.185 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc(C)[nH+]1 ZINC001061014779 708176668 /nfs/dbraw/zinc/17/66/68/708176668.db2.gz UVIHSMOYMDXRQF-BZUAXINKSA-N 2 1 345.491 1.948 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc(C)[nH+]1 ZINC001061014779 708176671 /nfs/dbraw/zinc/17/66/71/708176671.db2.gz UVIHSMOYMDXRQF-BZUAXINKSA-N 2 1 345.491 1.948 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582807 708266269 /nfs/dbraw/zinc/26/62/69/708266269.db2.gz RFSVVDUKPUGDHB-AEFFLSMTSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033582807 708266271 /nfs/dbraw/zinc/26/62/71/708266271.db2.gz RFSVVDUKPUGDHB-AEFFLSMTSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033582807 708266273 /nfs/dbraw/zinc/26/62/73/708266273.db2.gz RFSVVDUKPUGDHB-AEFFLSMTSA-N 2 1 330.476 1.765 20 0 EDADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033583419 708268096 /nfs/dbraw/zinc/26/80/96/708268096.db2.gz VTKLAFWAJVYZEN-RHSMWYFYSA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033583419 708268097 /nfs/dbraw/zinc/26/80/97/708268097.db2.gz VTKLAFWAJVYZEN-RHSMWYFYSA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033583419 708268099 /nfs/dbraw/zinc/26/80/99/708268099.db2.gz VTKLAFWAJVYZEN-RHSMWYFYSA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033583419 708268101 /nfs/dbraw/zinc/26/81/01/708268101.db2.gz VTKLAFWAJVYZEN-RHSMWYFYSA-N 2 1 334.439 1.595 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)sn1 ZINC001033586748 708278102 /nfs/dbraw/zinc/27/81/02/708278102.db2.gz ABRGAXUNUVCCJO-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)sn1 ZINC001033586748 708278103 /nfs/dbraw/zinc/27/81/03/708278103.db2.gz ABRGAXUNUVCCJO-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)sn1 ZINC001033586748 708278107 /nfs/dbraw/zinc/27/81/07/708278107.db2.gz ABRGAXUNUVCCJO-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)sn1 ZINC001033586748 708278109 /nfs/dbraw/zinc/27/81/09/708278109.db2.gz ABRGAXUNUVCCJO-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594841 708296771 /nfs/dbraw/zinc/29/67/71/708296771.db2.gz REYZXSGHDANMKV-HNNXBMFYSA-N 2 1 332.448 1.366 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594841 708296772 /nfs/dbraw/zinc/29/67/72/708296772.db2.gz REYZXSGHDANMKV-HNNXBMFYSA-N 2 1 332.448 1.366 20 0 EDADMP Cc1cnc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001001795700 708310340 /nfs/dbraw/zinc/31/03/40/708310340.db2.gz WDRLGTCKZWTDML-UHFFFAOYSA-N 2 1 334.464 1.653 20 0 EDADMP C[C@H](c1ncccn1)[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001795997 708310978 /nfs/dbraw/zinc/31/09/78/708310978.db2.gz ZIPRSRFIVSIARM-OAHLLOKOSA-N 2 1 345.491 1.708 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033663879 708444834 /nfs/dbraw/zinc/44/48/34/708444834.db2.gz AJEQHDCYQPJSRA-GJZGRUSLSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033663879 708444836 /nfs/dbraw/zinc/44/48/36/708444836.db2.gz AJEQHDCYQPJSRA-GJZGRUSLSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033663879 708444838 /nfs/dbraw/zinc/44/48/38/708444838.db2.gz AJEQHDCYQPJSRA-GJZGRUSLSA-N 2 1 334.464 1.530 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033662165 708477091 /nfs/dbraw/zinc/47/70/91/708477091.db2.gz OGRDCOXSXUHEJG-CABCVRRESA-N 2 1 336.505 1.478 20 0 EDADMP Cc1ncsc1CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033662165 708477093 /nfs/dbraw/zinc/47/70/93/708477093.db2.gz OGRDCOXSXUHEJG-CABCVRRESA-N 2 1 336.505 1.478 20 0 EDADMP Cc1ncsc1CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033662165 708477096 /nfs/dbraw/zinc/47/70/96/708477096.db2.gz OGRDCOXSXUHEJG-CABCVRRESA-N 2 1 336.505 1.478 20 0 EDADMP Cc1ncccc1C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002121143 708634929 /nfs/dbraw/zinc/63/49/29/708634929.db2.gz ORLQSCKXADZPRX-SFHVURJKSA-N 2 1 330.476 1.670 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001033775214 708675142 /nfs/dbraw/zinc/67/51/42/708675142.db2.gz LSVDWHDNWNLXQL-ZWKOTPCHSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC001033775214 708675145 /nfs/dbraw/zinc/67/51/45/708675145.db2.gz LSVDWHDNWNLXQL-ZWKOTPCHSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001033775214 708675148 /nfs/dbraw/zinc/67/51/48/708675148.db2.gz LSVDWHDNWNLXQL-ZWKOTPCHSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001033775214 708675150 /nfs/dbraw/zinc/67/51/50/708675150.db2.gz LSVDWHDNWNLXQL-ZWKOTPCHSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033776980 708704145 /nfs/dbraw/zinc/70/41/45/708704145.db2.gz RYCPPXQCCXPTKW-ZBFHGGJFSA-N 2 1 336.505 1.703 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC001033776980 708704147 /nfs/dbraw/zinc/70/41/47/708704147.db2.gz RYCPPXQCCXPTKW-ZBFHGGJFSA-N 2 1 336.505 1.703 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033833123 708857235 /nfs/dbraw/zinc/85/72/35/708857235.db2.gz FOKYURQCZPPPAL-ZTFGCOKTSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033833123 708857237 /nfs/dbraw/zinc/85/72/37/708857237.db2.gz FOKYURQCZPPPAL-ZTFGCOKTSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033833123 708857241 /nfs/dbraw/zinc/85/72/41/708857241.db2.gz FOKYURQCZPPPAL-ZTFGCOKTSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033833123 708857244 /nfs/dbraw/zinc/85/72/44/708857244.db2.gz FOKYURQCZPPPAL-ZTFGCOKTSA-N 2 1 348.466 1.984 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC001005407767 708911612 /nfs/dbraw/zinc/91/16/12/708911612.db2.gz TYTXZFBWVBEWKK-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1C ZINC001005407707 708937503 /nfs/dbraw/zinc/93/75/03/708937503.db2.gz QFFYJSNGSFIPLO-CRAIPNDOSA-N 2 1 337.508 1.676 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033907997 709040709 /nfs/dbraw/zinc/04/07/09/709040709.db2.gz WWABBVWBGOBRIF-DHADLLTHSA-N 2 1 335.492 1.428 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033907997 709040712 /nfs/dbraw/zinc/04/07/12/709040712.db2.gz WWABBVWBGOBRIF-DHADLLTHSA-N 2 1 335.492 1.428 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033907997 709040716 /nfs/dbraw/zinc/04/07/16/709040716.db2.gz WWABBVWBGOBRIF-DHADLLTHSA-N 2 1 335.492 1.428 20 0 EDADMP Cc1ccccc1[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002523540 709078238 /nfs/dbraw/zinc/07/82/38/709078238.db2.gz ONISCDFGFLNPBF-LPHOPBHVSA-N 2 1 345.487 1.967 20 0 EDADMP Cc1ccccc1[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002523540 709078240 /nfs/dbraw/zinc/07/82/40/709078240.db2.gz ONISCDFGFLNPBF-LPHOPBHVSA-N 2 1 345.487 1.967 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001033940264 709146036 /nfs/dbraw/zinc/14/60/36/709146036.db2.gz GOBGBHYHUNNANC-QGZVFWFLSA-N 2 1 345.491 1.550 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001033940264 709146037 /nfs/dbraw/zinc/14/60/37/709146037.db2.gz GOBGBHYHUNNANC-QGZVFWFLSA-N 2 1 345.491 1.550 20 0 EDADMP CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001034011979 709225197 /nfs/dbraw/zinc/22/51/97/709225197.db2.gz LBGSYAQMRZEEOC-SFHVURJKSA-N 2 1 337.508 1.678 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2cc(OC)no2)C1 ZINC001034039938 709272920 /nfs/dbraw/zinc/27/29/20/709272920.db2.gz NXYFSDLIHWZKFQ-ZIAGYGMSSA-N 2 1 336.436 1.058 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001034043885 709295107 /nfs/dbraw/zinc/29/51/07/709295107.db2.gz XUVDTXFRNQTWPT-WBVHZDCISA-N 2 1 333.480 1.103 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001034047749 709301483 /nfs/dbraw/zinc/30/14/83/709301483.db2.gz KFUHKXIARMZYAO-IAGOWNOFSA-N 2 1 325.497 1.676 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001034047749 709301486 /nfs/dbraw/zinc/30/14/86/709301486.db2.gz KFUHKXIARMZYAO-IAGOWNOFSA-N 2 1 325.497 1.676 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001034047749 709301489 /nfs/dbraw/zinc/30/14/89/709301489.db2.gz KFUHKXIARMZYAO-IAGOWNOFSA-N 2 1 325.497 1.676 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001034047749 709301491 /nfs/dbraw/zinc/30/14/91/709301491.db2.gz KFUHKXIARMZYAO-IAGOWNOFSA-N 2 1 325.497 1.676 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCCN(Cc2ccc(F)cn2)C1 ZINC001034139155 709389054 /nfs/dbraw/zinc/38/90/54/709389054.db2.gz RQZZZJYOAXRHHA-DLBZAZTESA-N 2 1 334.439 1.786 20 0 EDADMP CN1CCC[C@@H]1C(=O)N[C@H]1CCCCN(Cc2ccc(F)cn2)C1 ZINC001034139155 709389056 /nfs/dbraw/zinc/38/90/56/709389056.db2.gz RQZZZJYOAXRHHA-DLBZAZTESA-N 2 1 334.439 1.786 20 0 EDADMP CC[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1)OC ZINC001002793669 709401789 /nfs/dbraw/zinc/40/17/89/709401789.db2.gz ZBPNVKOFGNJMLN-IRXDYDNUSA-N 2 1 325.497 1.865 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccc(CO)cc2)C1 ZINC001034132715 709402973 /nfs/dbraw/zinc/40/29/73/709402973.db2.gz UQEVYKGTMCZXBI-MOPGFXCFSA-N 2 1 345.487 1.744 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001034132715 709402974 /nfs/dbraw/zinc/40/29/74/709402974.db2.gz UQEVYKGTMCZXBI-MOPGFXCFSA-N 2 1 345.487 1.744 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001034132715 709402976 /nfs/dbraw/zinc/40/29/76/709402976.db2.gz UQEVYKGTMCZXBI-MOPGFXCFSA-N 2 1 345.487 1.744 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCc3ccccc3)C2)C1 ZINC001034148492 709419546 /nfs/dbraw/zinc/41/95/46/709419546.db2.gz LAIKQIPXDSBUEW-RTBURBONSA-N 2 1 345.487 1.530 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCc3ccccc3)C2)C1 ZINC001034148492 709419547 /nfs/dbraw/zinc/41/95/47/709419547.db2.gz LAIKQIPXDSBUEW-RTBURBONSA-N 2 1 345.487 1.530 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCc3ccccc3)C2)C1 ZINC001034148492 709419548 /nfs/dbraw/zinc/41/95/48/709419548.db2.gz LAIKQIPXDSBUEW-RTBURBONSA-N 2 1 345.487 1.530 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCc3ccccc3)C2)C1 ZINC001034148492 709419549 /nfs/dbraw/zinc/41/95/49/709419549.db2.gz LAIKQIPXDSBUEW-RTBURBONSA-N 2 1 345.487 1.530 20 0 EDADMP Cn1cncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034206935 709553797 /nfs/dbraw/zinc/55/37/97/709553797.db2.gz HLIQMKISHDZJKH-FUHWJXTLSA-N 2 1 345.491 1.233 20 0 EDADMP Cn1cncc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034206935 709553801 /nfs/dbraw/zinc/55/38/01/709553801.db2.gz HLIQMKISHDZJKH-FUHWJXTLSA-N 2 1 345.491 1.233 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001003011956 709783733 /nfs/dbraw/zinc/78/37/33/709783733.db2.gz UGBSCRPTLBDOBU-WMZOPIPTSA-N 2 1 337.508 1.866 20 0 EDADMP O=C(N[C@@H]1CCCC[N@H+](CCO)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001034361742 709876661 /nfs/dbraw/zinc/87/66/61/709876661.db2.gz RKOXFZDQKCBSLM-SJLPKXTDSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CCO)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001034361742 709876665 /nfs/dbraw/zinc/87/66/65/709876665.db2.gz RKOXFZDQKCBSLM-SJLPKXTDSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CCO)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001034361742 709876669 /nfs/dbraw/zinc/87/66/69/709876669.db2.gz RKOXFZDQKCBSLM-SJLPKXTDSA-N 2 1 337.508 1.747 20 0 EDADMP Cc1oncc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034395241 709932325 /nfs/dbraw/zinc/93/23/25/709932325.db2.gz WKUSDKCXLAULJI-PBHICJAKSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1oncc1C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001034395241 709932327 /nfs/dbraw/zinc/93/23/27/709932327.db2.gz WKUSDKCXLAULJI-PBHICJAKSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1oncc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034395241 709932328 /nfs/dbraw/zinc/93/23/28/709932328.db2.gz WKUSDKCXLAULJI-PBHICJAKSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1oncc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034395241 709932331 /nfs/dbraw/zinc/93/23/31/709932331.db2.gz WKUSDKCXLAULJI-PBHICJAKSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034396902 709936554 /nfs/dbraw/zinc/93/65/54/709936554.db2.gz IVAVLXCWKGBVHT-DOTOQJQBSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034396902 709936557 /nfs/dbraw/zinc/93/65/57/709936557.db2.gz IVAVLXCWKGBVHT-DOTOQJQBSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cnn(C)c2)C1 ZINC001034396902 709936558 /nfs/dbraw/zinc/93/65/58/709936558.db2.gz IVAVLXCWKGBVHT-DOTOQJQBSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001034396902 709936560 /nfs/dbraw/zinc/93/65/60/709936560.db2.gz IVAVLXCWKGBVHT-DOTOQJQBSA-N 2 1 333.480 1.375 20 0 EDADMP CO[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400017 709942792 /nfs/dbraw/zinc/94/27/92/709942792.db2.gz WSHSBIHKPRRHBQ-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP CO[C@H](C)C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034400017 709942795 /nfs/dbraw/zinc/94/27/95/709942795.db2.gz WSHSBIHKPRRHBQ-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP CO[C@H](C)C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034400017 709942800 /nfs/dbraw/zinc/94/28/00/709942800.db2.gz WSHSBIHKPRRHBQ-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP Cn1cc(C[NH+]2CCC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)cn1 ZINC001003146332 710044234 /nfs/dbraw/zinc/04/42/34/710044234.db2.gz PISVLPGXIRAWMI-ROUUACIJSA-N 2 1 345.491 1.518 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](CCC[C@@H]2CCOC2)C1)C12CC[NH+](CC1)C2 ZINC001034492110 710113465 /nfs/dbraw/zinc/11/34/65/710113465.db2.gz YAIMGBODDHTDAZ-MSOLQXFVSA-N 2 1 349.519 1.870 20 0 EDADMP Cc1ncccc1C[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034488308 710137545 /nfs/dbraw/zinc/13/75/45/710137545.db2.gz UATGQNUJEMXIOP-SFHVURJKSA-N 2 1 342.487 1.957 20 0 EDADMP Cc1nc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)o1 ZINC001034523942 710172303 /nfs/dbraw/zinc/17/23/03/710172303.db2.gz CPYRHRRJNOBKOT-HZPDHXFCSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)o1 ZINC001034523942 710172306 /nfs/dbraw/zinc/17/23/06/710172306.db2.gz CPYRHRRJNOBKOT-HZPDHXFCSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c(C)o1 ZINC001034523942 710172308 /nfs/dbraw/zinc/17/23/08/710172308.db2.gz CPYRHRRJNOBKOT-HZPDHXFCSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c(C)o1 ZINC001034523942 710172311 /nfs/dbraw/zinc/17/23/11/710172311.db2.gz CPYRHRRJNOBKOT-HZPDHXFCSA-N 2 1 334.464 1.714 20 0 EDADMP CCn1nnc(C)c1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034524826 710173958 /nfs/dbraw/zinc/17/39/58/710173958.db2.gz IHNDNLUUJZRBCF-CVEARBPZSA-N 2 1 348.495 1.029 20 0 EDADMP CCn1nnc(C)c1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034524826 710173959 /nfs/dbraw/zinc/17/39/59/710173959.db2.gz IHNDNLUUJZRBCF-CVEARBPZSA-N 2 1 348.495 1.029 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034524826 710173961 /nfs/dbraw/zinc/17/39/61/710173961.db2.gz IHNDNLUUJZRBCF-CVEARBPZSA-N 2 1 348.495 1.029 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034524826 710173962 /nfs/dbraw/zinc/17/39/62/710173962.db2.gz IHNDNLUUJZRBCF-CVEARBPZSA-N 2 1 348.495 1.029 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525460 710175685 /nfs/dbraw/zinc/17/56/85/710175685.db2.gz NCKHOQKBWHXXGU-ROUUACIJSA-N 2 1 347.507 1.422 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034525460 710175687 /nfs/dbraw/zinc/17/56/87/710175687.db2.gz NCKHOQKBWHXXGU-ROUUACIJSA-N 2 1 347.507 1.422 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034525460 710175689 /nfs/dbraw/zinc/17/56/89/710175689.db2.gz NCKHOQKBWHXXGU-ROUUACIJSA-N 2 1 347.507 1.422 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001034525650 710176294 /nfs/dbraw/zinc/17/62/94/710176294.db2.gz NRZLHAAPBMJGEO-LSDHHAIUSA-N 2 1 329.435 1.954 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034525650 710176296 /nfs/dbraw/zinc/17/62/96/710176296.db2.gz NRZLHAAPBMJGEO-LSDHHAIUSA-N 2 1 329.435 1.954 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034525650 710176297 /nfs/dbraw/zinc/17/62/97/710176297.db2.gz NRZLHAAPBMJGEO-LSDHHAIUSA-N 2 1 329.435 1.954 20 0 EDADMP C[C@H](F)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003332023 710256341 /nfs/dbraw/zinc/25/63/41/710256341.db2.gz JUXLSUHKQVAAEG-QBPRILJRSA-N 2 1 339.455 1.178 20 0 EDADMP C[C@H](F)CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003332014 710256396 /nfs/dbraw/zinc/25/63/96/710256396.db2.gz JUXLSUHKQVAAEG-DFFOAJLQSA-N 2 1 339.455 1.178 20 0 EDADMP CCOC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001034606746 710269842 /nfs/dbraw/zinc/26/98/42/710269842.db2.gz CJSVQICGYFLEPZ-VSQHIIRESA-N 2 1 337.508 1.913 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1)c1csnn1 ZINC001034610492 710284467 /nfs/dbraw/zinc/28/44/67/710284467.db2.gz RETYLQVECBTUAY-RGCMKSIDSA-N 2 1 337.493 1.710 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC001034647528 710324087 /nfs/dbraw/zinc/32/40/87/710324087.db2.gz KAFPXZVPBFAQSC-WRQOLXDDSA-N 2 1 345.491 1.895 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+]([C@H](C)COC)CC2)C1 ZINC001003481956 710368245 /nfs/dbraw/zinc/36/82/45/710368245.db2.gz NUDWQICIPFXGQM-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CCN(Cc3ncccn3)CC2)CC[N@H+]1C ZINC001003491208 710373589 /nfs/dbraw/zinc/37/35/89/710373589.db2.gz DHHWFTSEXZUGLU-GJZGRUSLSA-N 2 1 331.464 1.288 20 0 EDADMP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)[C@@H]1CCCc2[nH]cnc21 ZINC001003604868 710445563 /nfs/dbraw/zinc/44/55/63/710445563.db2.gz AGOWDRMVSZBOTR-GOEBONIOSA-N 2 1 346.475 1.837 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001003626671 710447588 /nfs/dbraw/zinc/44/75/88/710447588.db2.gz UNLZIBNTGGDYMC-AWEZNQCLSA-N 2 1 333.480 1.151 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001003625398 710454575 /nfs/dbraw/zinc/45/45/75/710454575.db2.gz FTWRLTAXHLOCQC-CYBMUJFWSA-N 2 1 329.435 1.954 20 0 EDADMP Cc1cncc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC001003636645 710456840 /nfs/dbraw/zinc/45/68/40/710456840.db2.gz XAWPTPIBAQYCLO-QAPCUYQASA-N 2 1 330.476 1.668 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000922264509 710549726 /nfs/dbraw/zinc/54/97/26/710549726.db2.gz UHCOMNAMELFFPF-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000922264509 710549728 /nfs/dbraw/zinc/54/97/28/710549728.db2.gz UHCOMNAMELFFPF-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000922264509 710549730 /nfs/dbraw/zinc/54/97/30/710549730.db2.gz UHCOMNAMELFFPF-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034662111 710593425 /nfs/dbraw/zinc/59/34/25/710593425.db2.gz DADRIJHISKQDGH-ZOBUZTSGSA-N 2 1 349.479 1.850 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC001034675011 710626546 /nfs/dbraw/zinc/62/65/46/710626546.db2.gz XMTWYOLWNMFUPS-ZOBUZTSGSA-N 2 1 334.464 1.984 20 0 EDADMP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001034674932 710626618 /nfs/dbraw/zinc/62/66/18/710626618.db2.gz VBGPJGDLGYKLAM-ZOBUZTSGSA-N 2 1 333.480 1.421 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2coc(C)n2)CC1 ZINC001034692323 710780598 /nfs/dbraw/zinc/78/05/98/710780598.db2.gz GDNPRDOXGYAKQM-SHTZXODSSA-N 2 1 331.420 1.705 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2ocnc2C)CC1 ZINC001034693084 710783670 /nfs/dbraw/zinc/78/36/70/710783670.db2.gz USUCSDYKEPKCPK-SHTZXODSSA-N 2 1 331.420 1.705 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccnn3C)CC2)CC[N@H+]1C ZINC001034716760 710859363 /nfs/dbraw/zinc/85/93/63/710859363.db2.gz SDLMOCRGYZHHCB-QAETUUGQSA-N 2 1 347.507 1.667 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3csnn3)CC2)C1 ZINC001034734537 710916242 /nfs/dbraw/zinc/91/62/42/710916242.db2.gz QUEVOSDXNIWYFG-IHRRRGAJSA-N 2 1 337.493 1.397 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3csnn3)CC2)C1 ZINC001034734537 710916245 /nfs/dbraw/zinc/91/62/45/710916245.db2.gz QUEVOSDXNIWYFG-IHRRRGAJSA-N 2 1 337.493 1.397 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC001034735632 710921334 /nfs/dbraw/zinc/92/13/34/710921334.db2.gz JXSCZFSINCGTDD-BPUTZDHNSA-N 2 1 334.464 1.984 20 0 EDADMP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)no1 ZINC001034738633 710929578 /nfs/dbraw/zinc/92/95/78/710929578.db2.gz VEXJFLVWWZUFQA-AJNGGQMLSA-N 2 1 349.479 1.347 20 0 EDADMP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)no1 ZINC001034738633 710929582 /nfs/dbraw/zinc/92/95/82/710929582.db2.gz VEXJFLVWWZUFQA-AJNGGQMLSA-N 2 1 349.479 1.347 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC001034738830 710931485 /nfs/dbraw/zinc/93/14/85/710931485.db2.gz VYFJKWUBZUHITM-RRCSTGOVSA-N 2 1 349.479 1.940 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC001034738830 710931488 /nfs/dbraw/zinc/93/14/88/710931488.db2.gz VYFJKWUBZUHITM-RRCSTGOVSA-N 2 1 349.479 1.940 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034738822 710931611 /nfs/dbraw/zinc/93/16/11/710931611.db2.gz VQQQFOWWMIQCDH-MIGQKNRLSA-N 2 1 334.464 1.698 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001032960233 710968337 /nfs/dbraw/zinc/96/83/37/710968337.db2.gz PPWZHKCOBREFII-DLBZAZTESA-N 2 1 333.480 1.072 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001032960233 710968339 /nfs/dbraw/zinc/96/83/39/710968339.db2.gz PPWZHKCOBREFII-DLBZAZTESA-N 2 1 333.480 1.072 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001032960233 710968341 /nfs/dbraw/zinc/96/83/41/710968341.db2.gz PPWZHKCOBREFII-DLBZAZTESA-N 2 1 333.480 1.072 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)co1 ZINC001034775498 711049117 /nfs/dbraw/zinc/04/91/17/711049117.db2.gz AZDBHFOQACLOEG-BZUAXINKSA-N 2 1 334.464 1.842 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3nncs3)CC2)C1 ZINC001034776800 711054742 /nfs/dbraw/zinc/05/47/42/711054742.db2.gz ZJTJVFFKJIIMAC-MGPQQGTHSA-N 2 1 337.493 1.397 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cn(C)nn2)CC1 ZINC001034795963 711115661 /nfs/dbraw/zinc/11/56/61/711115661.db2.gz ZXZMSVXMGWKTHB-BFYDXBDKSA-N 2 1 348.495 1.207 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034792241 711118602 /nfs/dbraw/zinc/11/86/02/711118602.db2.gz COEUWPFDOIILIT-SHTZXODSSA-N 2 1 330.436 1.142 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCc3ccns3)CC2)C1 ZINC001034792362 711119490 /nfs/dbraw/zinc/11/94/90/711119490.db2.gz GVMBGNUIUCKTTC-RBSFLKMASA-N 2 1 336.505 1.654 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1csnn1 ZINC001034793214 711122468 /nfs/dbraw/zinc/12/24/68/711122468.db2.gz SPVZQZAQPBGHOB-XJFOESAGSA-N 2 1 337.493 1.568 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1 ZINC001034793727 711124456 /nfs/dbraw/zinc/12/44/56/711124456.db2.gz OPXPVVPTPKMSMH-HDJSIYSDSA-N 2 1 333.461 1.865 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001003983943 711183335 /nfs/dbraw/zinc/18/33/35/711183335.db2.gz VWNQSUOTPRVGRN-INIZCTEOSA-N 2 1 346.475 1.911 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]C[C@@H]2CCOC2)cc1 ZINC001034821213 711222095 /nfs/dbraw/zinc/22/20/95/711222095.db2.gz RXQKDCKVMKCLKU-OALUTQOASA-N 2 1 345.487 1.913 20 0 EDADMP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740775 711275005 /nfs/dbraw/zinc/27/50/05/711275005.db2.gz JBUQPEUSQCGWSF-LOPSVYGOSA-N 2 1 349.519 1.819 20 0 EDADMP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001034881909 711282597 /nfs/dbraw/zinc/28/25/97/711282597.db2.gz PFPAJFSREMYZJM-SJLPKXTDSA-N 2 1 331.460 1.870 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cnn(C)c2)C1 ZINC001034958884 711432684 /nfs/dbraw/zinc/43/26/84/711432684.db2.gz NPJQJTAGGPGSPJ-QZTJIDSGSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccon2)C1 ZINC001034959115 711433312 /nfs/dbraw/zinc/43/33/12/711433312.db2.gz RUILDKYBJIVKFZ-NVXWUHKLSA-N 2 1 334.464 1.733 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccon2)C1 ZINC001034959115 711433314 /nfs/dbraw/zinc/43/33/14/711433314.db2.gz RUILDKYBJIVKFZ-NVXWUHKLSA-N 2 1 334.464 1.733 20 0 EDADMP CCn1ccnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001034936821 711437050 /nfs/dbraw/zinc/43/70/50/711437050.db2.gz XOYRYBMENZZLTM-IAGOWNOFSA-N 2 1 347.507 1.856 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)s1 ZINC001034940333 711443379 /nfs/dbraw/zinc/44/33/79/711443379.db2.gz BJYNAXJQISNGSO-HUUCEWRRSA-N 2 1 349.504 1.269 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1c3c(nn1C)CCC3)C2 ZINC000922387293 711450345 /nfs/dbraw/zinc/45/03/45/711450345.db2.gz UBVCNNHRXGRRPN-NXWXRZEISA-N 2 1 332.492 1.478 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc3oc(=O)oc3c1)C2 ZINC000922391213 711456056 /nfs/dbraw/zinc/45/60/56/711456056.db2.gz URHSJNFLSSDUIF-XNWVLMOPSA-N 2 1 346.427 1.955 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000922411443 711486585 /nfs/dbraw/zinc/48/65/85/711486585.db2.gz AGLVYFNSMKHAMT-JYYAWHABSA-N 2 1 348.495 1.195 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC[NH+]1C ZINC000922411443 711486588 /nfs/dbraw/zinc/48/65/88/711486588.db2.gz AGLVYFNSMKHAMT-JYYAWHABSA-N 2 1 348.495 1.195 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC[NH+]1C ZINC000922411443 711486590 /nfs/dbraw/zinc/48/65/90/711486590.db2.gz AGLVYFNSMKHAMT-JYYAWHABSA-N 2 1 348.495 1.195 20 0 EDADMP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)CC[C@@H]2C1 ZINC000946623550 711923418 /nfs/dbraw/zinc/92/34/18/711923418.db2.gz MCPFUPFITVUORT-ZIFCJYIRSA-N 2 1 349.519 1.820 20 0 EDADMP CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)CC[C@@H]2C1 ZINC000946623550 711923419 /nfs/dbraw/zinc/92/34/19/711923419.db2.gz MCPFUPFITVUORT-ZIFCJYIRSA-N 2 1 349.519 1.820 20 0 EDADMP CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)CC[C@@H]2C1 ZINC000946623550 711923420 /nfs/dbraw/zinc/92/34/20/711923420.db2.gz MCPFUPFITVUORT-ZIFCJYIRSA-N 2 1 349.519 1.820 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2CC1)[NH+](C)C ZINC000946642882 712129108 /nfs/dbraw/zinc/12/91/08/712129108.db2.gz TUOSUJDPAJOBNX-FGTMMUONSA-N 2 1 347.507 1.431 20 0 EDADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000448600134 282100792 /nfs/dbraw/zinc/10/07/92/282100792.db2.gz CZTNOMLAABQIIG-GOSISDBHSA-N 2 1 336.524 1.489 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000557843016 306234534 /nfs/dbraw/zinc/23/45/34/306234534.db2.gz FFBKDJZTGYYKAY-KSTDHSDQSA-N 2 1 336.480 1.465 20 0 EDADMP CCC(CC)[C@@H](C(=O)N[C@@H](C)C[NH+](CC)CC)[NH+]1CCOCC1 ZINC000359282084 282224778 /nfs/dbraw/zinc/22/47/78/282224778.db2.gz DQBQPMPABDXFQH-RDJZCZTQSA-N 2 1 327.513 1.970 20 0 EDADMP CCC(CC)[C@H](C(=O)N[C@H](C)C[NH+](CC)CC)[NH+]1CCOCC1 ZINC000359282082 282256925 /nfs/dbraw/zinc/25/69/25/282256925.db2.gz DQBQPMPABDXFQH-NVXWUHKLSA-N 2 1 327.513 1.970 20 0 EDADMP COCC[C@H](C)[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348176550 539342586 /nfs/dbraw/zinc/34/25/86/539342586.db2.gz GAILIXSOHFUIEV-KKUMJFAQSA-N 2 1 339.459 1.816 20 0 EDADMP COCC[C@H](C)[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348176550 539342593 /nfs/dbraw/zinc/34/25/93/539342593.db2.gz GAILIXSOHFUIEV-KKUMJFAQSA-N 2 1 339.459 1.816 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000132870176 530044867 /nfs/dbraw/zinc/04/48/67/530044867.db2.gz ZVURVQVPCXSLCC-GOSISDBHSA-N 2 1 330.476 1.258 20 0 EDADMP C[NH+]1CCN(CC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000154180925 539514579 /nfs/dbraw/zinc/51/45/79/539514579.db2.gz IOAPQPLXTPWLGG-UHFFFAOYSA-N 2 1 336.524 1.348 20 0 EDADMP Cc1cc(N2CCC([NH2+][C@H](C(N)=O)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000178695994 232385859 /nfs/dbraw/zinc/38/58/59/232385859.db2.gz JDOWYBIKDRHGMM-SFHVURJKSA-N 2 1 339.443 1.878 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)c1 ZINC000141479170 539551101 /nfs/dbraw/zinc/55/11/01/539551101.db2.gz HJRHNMYONNDFSI-KRWDZBQOSA-N 2 1 343.475 1.706 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)c1 ZINC000141479170 539551106 /nfs/dbraw/zinc/55/11/06/539551106.db2.gz HJRHNMYONNDFSI-KRWDZBQOSA-N 2 1 343.475 1.706 20 0 EDADMP C[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[C@H](C)[N@@H+]1C ZINC000412358071 304001092 /nfs/dbraw/zinc/00/10/92/304001092.db2.gz FSPDZEWLCNQOCF-LZWOXQAQSA-N 2 1 325.522 1.755 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2 ZINC000561259721 306286068 /nfs/dbraw/zinc/28/60/68/306286068.db2.gz SBIKYBMIXMDOTI-KRWDZBQOSA-N 3 1 349.523 1.486 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000339275500 539705063 /nfs/dbraw/zinc/70/50/63/539705063.db2.gz LKSUIHNRUMPTDQ-QGZVFWFLSA-N 2 1 347.507 1.719 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000339275500 539705068 /nfs/dbraw/zinc/70/50/68/539705068.db2.gz LKSUIHNRUMPTDQ-QGZVFWFLSA-N 2 1 347.507 1.719 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000339275500 539705071 /nfs/dbraw/zinc/70/50/71/539705071.db2.gz LKSUIHNRUMPTDQ-QGZVFWFLSA-N 2 1 347.507 1.719 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000339275500 539705075 /nfs/dbraw/zinc/70/50/75/539705075.db2.gz LKSUIHNRUMPTDQ-QGZVFWFLSA-N 2 1 347.507 1.719 20 0 EDADMP C[NH+]1CCN(c2ncccc2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166341557 539923607 /nfs/dbraw/zinc/92/36/07/539923607.db2.gz KTPAPHWINVBZDT-ZWKOTPCHSA-N 2 1 329.492 1.550 20 0 EDADMP CN(C)c1cc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)cc[nH+]1 ZINC000272668685 540050946 /nfs/dbraw/zinc/05/09/46/540050946.db2.gz JRKWFRMZOMHRMG-UHFFFAOYSA-N 2 1 329.404 1.735 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NCC[NH+]2CCC(OC)CC2)[C@H](C)C1 ZINC000163667831 540056102 /nfs/dbraw/zinc/05/61/02/540056102.db2.gz SCMWBCYCRXQLGA-MJGOQNOKSA-N 2 1 341.540 1.824 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCC(OC)CC2)[C@H](C)C1 ZINC000163667831 540056105 /nfs/dbraw/zinc/05/61/05/540056105.db2.gz SCMWBCYCRXQLGA-MJGOQNOKSA-N 2 1 341.540 1.824 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCC(OC)CC2)[C@H](C)C1 ZINC000163667831 540056109 /nfs/dbraw/zinc/05/61/09/540056109.db2.gz SCMWBCYCRXQLGA-MJGOQNOKSA-N 2 1 341.540 1.824 20 0 EDADMP COC[C@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000183426795 235068678 /nfs/dbraw/zinc/06/86/78/235068678.db2.gz IFRABMKJJPSCQZ-SNRMKQJTSA-N 2 1 345.487 1.780 20 0 EDADMP C[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000563304408 306326756 /nfs/dbraw/zinc/32/67/56/306326756.db2.gz ZLUDVAWUUXKOJE-CQSZACIVSA-N 2 1 342.447 1.699 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000563454391 306334362 /nfs/dbraw/zinc/33/43/62/306334362.db2.gz QWFBANVAHXCUMZ-SQNIBIBYSA-N 2 1 328.460 1.512 20 0 EDADMP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000073293314 138216177 /nfs/dbraw/zinc/21/61/77/138216177.db2.gz VIFDBFBSWDWJHM-OAHLLOKOSA-N 2 1 335.452 1.199 20 0 EDADMP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000073293314 138216180 /nfs/dbraw/zinc/21/61/80/138216180.db2.gz VIFDBFBSWDWJHM-OAHLLOKOSA-N 2 1 335.452 1.199 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090663131 138280586 /nfs/dbraw/zinc/28/05/86/138280586.db2.gz DEHRCIXYKSZPOP-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090663131 138280587 /nfs/dbraw/zinc/28/05/87/138280587.db2.gz DEHRCIXYKSZPOP-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000104879958 138300710 /nfs/dbraw/zinc/30/07/10/138300710.db2.gz QLLPRRFPZSIPEA-LJQANCHMSA-N 2 1 345.487 1.642 20 0 EDADMP CC[N@H+](C)C[C@H]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093770440 138294395 /nfs/dbraw/zinc/29/43/95/138294395.db2.gz HEFVIKIKHYWGJW-MRXNPFEDSA-N 2 1 332.496 1.002 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093770440 138294396 /nfs/dbraw/zinc/29/43/96/138294396.db2.gz HEFVIKIKHYWGJW-MRXNPFEDSA-N 2 1 332.496 1.002 20 0 EDADMP CCN(CC)C(=O)CN1CCC[N@H+](CCCCn2cc[nH+]c2C)CC1 ZINC000119083571 138313512 /nfs/dbraw/zinc/31/35/12/138313512.db2.gz GHHIWXUXCPPCIJ-UHFFFAOYSA-N 2 1 349.523 1.848 20 0 EDADMP CCN(CC)C(=O)CN1CCC[N@@H+](CCCCn2cc[nH+]c2C)CC1 ZINC000119083571 138313513 /nfs/dbraw/zinc/31/35/13/138313513.db2.gz GHHIWXUXCPPCIJ-UHFFFAOYSA-N 2 1 349.523 1.848 20 0 EDADMP Cc1noc([C@@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n1 ZINC000114455541 138310265 /nfs/dbraw/zinc/31/02/65/138310265.db2.gz YIYTUIKLJIWLGA-OAHLLOKOSA-N 2 1 349.479 1.546 20 0 EDADMP Cc1noc([C@@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n1 ZINC000114455541 138310266 /nfs/dbraw/zinc/31/02/66/138310266.db2.gz YIYTUIKLJIWLGA-OAHLLOKOSA-N 2 1 349.479 1.546 20 0 EDADMP CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000563608523 306341703 /nfs/dbraw/zinc/34/17/03/306341703.db2.gz QDJIHTFVISVRIC-UHFFFAOYSA-N 2 1 326.828 1.147 20 0 EDADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000563609782 306341776 /nfs/dbraw/zinc/34/17/76/306341776.db2.gz ZRBMJFODFHAEHB-MAUKXSAKSA-N 2 1 346.475 1.316 20 0 EDADMP CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000133423892 138392914 /nfs/dbraw/zinc/39/29/14/138392914.db2.gz BVRCBINGNWRFSL-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000133423892 138392915 /nfs/dbraw/zinc/39/29/15/138392915.db2.gz BVRCBINGNWRFSL-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000133423892 138392916 /nfs/dbraw/zinc/39/29/16/138392916.db2.gz BVRCBINGNWRFSL-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000133423892 138392917 /nfs/dbraw/zinc/39/29/17/138392917.db2.gz BVRCBINGNWRFSL-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000342780830 283248315 /nfs/dbraw/zinc/24/83/15/283248315.db2.gz LXAADBAKCXVFKB-QGZVFWFLSA-N 2 1 325.497 1.820 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000342780830 283248321 /nfs/dbraw/zinc/24/83/21/283248321.db2.gz LXAADBAKCXVFKB-QGZVFWFLSA-N 2 1 325.497 1.820 20 0 EDADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000563670882 306344550 /nfs/dbraw/zinc/34/45/50/306344550.db2.gz ZRXKIZWTVWGDJU-YOEHRIQHSA-N 2 1 342.447 1.709 20 0 EDADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000563670882 306344551 /nfs/dbraw/zinc/34/45/51/306344551.db2.gz ZRXKIZWTVWGDJU-YOEHRIQHSA-N 2 1 342.447 1.709 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH2+]C2CCCCCC2)[C@H](C)C1 ZINC000564064085 306354651 /nfs/dbraw/zinc/35/46/51/306354651.db2.gz GFUMVMLEPMTVML-CVEARBPZSA-N 2 1 340.512 1.395 20 0 EDADMP CCC[NH2+]CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000418192427 283388187 /nfs/dbraw/zinc/38/81/87/283388187.db2.gz YRKXINYWNPBCDA-GOEBONIOSA-N 2 1 336.484 1.102 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000413847584 304081033 /nfs/dbraw/zinc/08/10/33/304081033.db2.gz VEPLECQSYQAADB-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1[NH2+]CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)[C@@H]1C ZINC000333780775 291193871 /nfs/dbraw/zinc/19/38/71/291193871.db2.gz KUJRETROOUOUAJ-PNBKFKSVSA-N 2 1 348.495 1.195 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1CNC[C@@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564847264 306367152 /nfs/dbraw/zinc/36/71/52/306367152.db2.gz LCWZNTMSPWAXSY-FCGDIQPGSA-N 2 1 341.540 1.701 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC[C@@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564847264 306367153 /nfs/dbraw/zinc/36/71/53/306367153.db2.gz LCWZNTMSPWAXSY-FCGDIQPGSA-N 2 1 341.540 1.701 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564847264 306367154 /nfs/dbraw/zinc/36/71/54/306367154.db2.gz LCWZNTMSPWAXSY-FCGDIQPGSA-N 2 1 341.540 1.701 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564847264 306367155 /nfs/dbraw/zinc/36/71/55/306367155.db2.gz LCWZNTMSPWAXSY-FCGDIQPGSA-N 2 1 341.540 1.701 20 0 EDADMP NC(=O)NC(=O)CC[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000564870287 306367903 /nfs/dbraw/zinc/36/79/03/306367903.db2.gz ZTZNKHRNLHKLHS-MRXNPFEDSA-N 2 1 332.448 1.463 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000565029107 306373181 /nfs/dbraw/zinc/37/31/81/306373181.db2.gz WMZSDUFNGDABLA-LSDHHAIUSA-N 2 1 344.459 1.401 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000565575990 306386610 /nfs/dbraw/zinc/38/66/10/306386610.db2.gz QOWMIYCQTXUERO-ICSRJNTNSA-N 2 1 345.487 1.566 20 0 EDADMP CO[C@@](C)([C@@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000414507354 304121286 /nfs/dbraw/zinc/12/12/86/304121286.db2.gz YUOVMFPDHAPUHK-KDOFPFPSSA-N 2 1 333.480 1.522 20 0 EDADMP C[C@H]1CN(Cc2ccccc2)CC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694251 304128572 /nfs/dbraw/zinc/12/85/72/304128572.db2.gz MZNDCUUVORBDIL-PKOBYXMFSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000414696545 304128927 /nfs/dbraw/zinc/12/89/27/304128927.db2.gz GKMJEUFPAFGKGR-KGLIPLIRSA-N 2 1 332.448 1.493 20 0 EDADMP COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414696636 304128878 /nfs/dbraw/zinc/12/88/78/304128878.db2.gz GSORGXLIPYFITA-HNNXBMFYSA-N 2 1 333.432 1.102 20 0 EDADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1)CCC2 ZINC000414698484 304129321 /nfs/dbraw/zinc/12/93/21/304129321.db2.gz RAKOEOSBAUXICF-ZFWWWQNUSA-N 2 1 336.505 1.958 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000414699112 304129545 /nfs/dbraw/zinc/12/95/45/304129545.db2.gz RRGDXXLPJPCXFM-HOCLYGCPSA-N 2 1 345.443 1.750 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000414705866 304130292 /nfs/dbraw/zinc/13/02/92/304130292.db2.gz NTWFWUIDHLHKDU-OAHLLOKOSA-N 2 1 346.475 1.725 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000133031132 223383274 /nfs/dbraw/zinc/38/32/74/223383274.db2.gz DZSCFCZQZHXZKV-WMZOPIPTSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000133031132 223383275 /nfs/dbraw/zinc/38/32/75/223383275.db2.gz DZSCFCZQZHXZKV-WMZOPIPTSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000133031132 223383276 /nfs/dbraw/zinc/38/32/76/223383276.db2.gz DZSCFCZQZHXZKV-WMZOPIPTSA-N 2 1 348.491 1.527 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@](F)(c3ccccc3F)C2)C1 ZINC000414759866 304137768 /nfs/dbraw/zinc/13/77/68/304137768.db2.gz FSKALLZURJLBKV-KBXCAEBGSA-N 2 1 337.414 1.894 20 0 EDADMP O=C(COc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1)NCC1CC1 ZINC000414821275 304144840 /nfs/dbraw/zinc/14/48/40/304144840.db2.gz ATUOKSQAXRLHCS-MRXNPFEDSA-N 2 1 331.460 1.681 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000566727583 306426381 /nfs/dbraw/zinc/42/63/81/306426381.db2.gz OPVFJMWRDBTJRJ-IRXDYDNUSA-N 2 1 345.491 1.248 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000415049283 304154576 /nfs/dbraw/zinc/15/45/76/304154576.db2.gz XSKGEENYJNHPCI-XJKSGUPXSA-N 2 1 349.431 1.158 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCC2([NH3+])CCC2)c1 ZINC000415050237 304154790 /nfs/dbraw/zinc/15/47/90/304154790.db2.gz BMMLSCNXPGGFCA-HNNXBMFYSA-N 2 1 345.447 1.139 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCC2([NH3+])CCC2)c1 ZINC000415050237 304154791 /nfs/dbraw/zinc/15/47/91/304154791.db2.gz BMMLSCNXPGGFCA-HNNXBMFYSA-N 2 1 345.447 1.139 20 0 EDADMP C[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C[C@H](O)C[NH3+] ZINC000415073922 304157488 /nfs/dbraw/zinc/15/74/88/304157488.db2.gz ZFLBBAHZSXRNAZ-CYBMUJFWSA-N 2 1 328.338 1.847 20 0 EDADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C[C@H](O)C[NH3+] ZINC000415073922 304157487 /nfs/dbraw/zinc/15/74/87/304157487.db2.gz ZFLBBAHZSXRNAZ-CYBMUJFWSA-N 2 1 328.338 1.847 20 0 EDADMP Cc1ccccc1C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415140008 304163514 /nfs/dbraw/zinc/16/35/14/304163514.db2.gz MOAWIMNXBFHCQX-MSOLQXFVSA-N 2 1 328.460 1.715 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=[NH2+])NC3CCCC3)cc2)CC1 ZINC000195522350 139019902 /nfs/dbraw/zinc/01/99/02/139019902.db2.gz IVIKWCAAXMGHSF-UHFFFAOYSA-N 2 1 329.492 1.991 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C[C@H]1C ZINC000415149745 304165719 /nfs/dbraw/zinc/16/57/19/304165719.db2.gz NVDLOMRFRPSUOC-RDBSUJKOSA-N 2 1 332.448 1.586 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C[C@H]1C ZINC000415149745 304165720 /nfs/dbraw/zinc/16/57/20/304165720.db2.gz NVDLOMRFRPSUOC-RDBSUJKOSA-N 2 1 332.448 1.586 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C[C@H]1C ZINC000415149739 304165740 /nfs/dbraw/zinc/16/57/40/304165740.db2.gz NVDLOMRFRPSUOC-HZSPNIEDSA-N 2 1 332.448 1.586 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C[C@H]1C ZINC000415149739 304165742 /nfs/dbraw/zinc/16/57/42/304165742.db2.gz NVDLOMRFRPSUOC-HZSPNIEDSA-N 2 1 332.448 1.586 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000236781376 139031190 /nfs/dbraw/zinc/03/11/90/139031190.db2.gz YDKPGTIIOLUFCB-KRWDZBQOSA-N 2 1 332.492 1.609 20 0 EDADMP CCC[NH+]1CCC(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000236793621 139031592 /nfs/dbraw/zinc/03/15/92/139031592.db2.gz OJTVGFGBHAEFFV-FQEVSTJZSA-N 2 1 331.504 1.870 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1C ZINC000415171939 304170664 /nfs/dbraw/zinc/17/06/64/304170664.db2.gz NOIOZRZPOXPOFS-INIZCTEOSA-N 2 1 330.432 1.027 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1C ZINC000415171939 304170667 /nfs/dbraw/zinc/17/06/67/304170667.db2.gz NOIOZRZPOXPOFS-INIZCTEOSA-N 2 1 330.432 1.027 20 0 EDADMP C[C@H](c1ccc(NC(=O)C[NH2+]C[C@H]2CCCO2)cc1)[NH+]1CCOCC1 ZINC000237399238 139049972 /nfs/dbraw/zinc/04/99/72/139049972.db2.gz QWCROHNFFCZXJW-CRAIPNDOSA-N 2 1 347.459 1.787 20 0 EDADMP C[C@H](CCNC(=O)C[NH2+]C[C@H]1CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000237456577 139051634 /nfs/dbraw/zinc/05/16/34/139051634.db2.gz VUTKWFXUWBEWFX-SJLPKXTDSA-N 2 1 333.476 1.782 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000111413530 220153240 /nfs/dbraw/zinc/15/32/40/220153240.db2.gz QPONNKJXPFKOSQ-QGZVFWFLSA-N 2 1 334.464 1.981 20 0 EDADMP O=C(C[NH2+]C[C@@H]1CCCO1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000237897501 139063083 /nfs/dbraw/zinc/06/30/83/139063083.db2.gz KVVNRDSVPFFXEP-SFHVURJKSA-N 2 1 331.460 1.320 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000237967878 139065331 /nfs/dbraw/zinc/06/53/31/139065331.db2.gz PLTGIUQTQKWOAD-GOSISDBHSA-N 2 1 343.471 1.890 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000111838003 220203390 /nfs/dbraw/zinc/20/33/90/220203390.db2.gz IADIRUAGUBEVAD-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000111838003 220203393 /nfs/dbraw/zinc/20/33/93/220203393.db2.gz IADIRUAGUBEVAD-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000111838003 220203395 /nfs/dbraw/zinc/20/33/95/220203395.db2.gz IADIRUAGUBEVAD-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000415239387 304177584 /nfs/dbraw/zinc/17/75/84/304177584.db2.gz ATCNOWDIHZXVNN-IFXJQAMLSA-N 2 1 344.459 1.589 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC)CC2)c1 ZINC000415250867 304179060 /nfs/dbraw/zinc/17/90/60/304179060.db2.gz BLXBAOUKBSGXFO-OAHLLOKOSA-N 2 1 346.475 1.677 20 0 EDADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000245863342 139087749 /nfs/dbraw/zinc/08/77/49/139087749.db2.gz CZEBZXNNWYCHGJ-BBWFWOEESA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000245863342 139087750 /nfs/dbraw/zinc/08/77/50/139087750.db2.gz CZEBZXNNWYCHGJ-BBWFWOEESA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1CC[N@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H]1n1ccnc1 ZINC000246281251 139102358 /nfs/dbraw/zinc/10/23/58/139102358.db2.gz NPMMCRLKQZCZNI-PVAVHDDUSA-N 2 1 342.447 1.695 20 0 EDADMP COC(=O)[C@@]1(C)CC[NH+](C/C=C/C[N@@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000246590385 139114080 /nfs/dbraw/zinc/11/40/80/139114080.db2.gz TVGLESDTEDHDFY-ZBKUBXTQSA-N 2 1 338.448 1.313 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000246700946 139117902 /nfs/dbraw/zinc/11/79/02/139117902.db2.gz CULKCTTVDZGBCX-IAGOWNOFSA-N 2 1 344.459 1.543 20 0 EDADMP CC[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246897861 139126105 /nfs/dbraw/zinc/12/61/05/139126105.db2.gz FRGNJXBCKQCUBP-VDGAXYAQSA-N 3 1 331.504 1.726 20 0 EDADMP CC[NH+]1CC[C@H](NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246897861 139126106 /nfs/dbraw/zinc/12/61/06/139126106.db2.gz FRGNJXBCKQCUBP-VDGAXYAQSA-N 3 1 331.504 1.726 20 0 EDADMP CC[NH+]1CC[C@H](NC[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246897861 139126107 /nfs/dbraw/zinc/12/61/07/139126107.db2.gz FRGNJXBCKQCUBP-VDGAXYAQSA-N 3 1 331.504 1.726 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246897861 139126108 /nfs/dbraw/zinc/12/61/08/139126108.db2.gz FRGNJXBCKQCUBP-VDGAXYAQSA-N 3 1 331.504 1.726 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(=O)N(C)C)c2)[C@@H](C)C1 ZINC000246996377 139130418 /nfs/dbraw/zinc/13/04/18/139130418.db2.gz KLDXLJVHNOVCMK-MAUKXSAKSA-N 2 1 333.476 1.974 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000248146678 139158760 /nfs/dbraw/zinc/15/87/60/139158760.db2.gz QFXQCEFBLXFLJB-GOEBONIOSA-N 2 1 345.443 1.812 20 0 EDADMP COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248402734 139162287 /nfs/dbraw/zinc/16/22/87/139162287.db2.gz WFJUEJXMAICOIJ-GOEBONIOSA-N 2 1 335.448 1.146 20 0 EDADMP C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000415405760 304215025 /nfs/dbraw/zinc/21/50/25/304215025.db2.gz WEHXUIPPOMZHCP-UHFFFAOYSA-N 2 1 329.404 1.039 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)[C@@](C)([NH3+])c3ccccc3)CC2)CCO1 ZINC000248748359 139174224 /nfs/dbraw/zinc/17/42/24/139174224.db2.gz BOBXQABJKNRHBC-KXBFYZLASA-N 2 1 331.460 1.572 20 0 EDADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCS(C)(=O)=O ZINC000092821015 218172293 /nfs/dbraw/zinc/17/22/93/218172293.db2.gz DLWDCGMSZUZBOO-UHFFFAOYSA-N 2 1 325.478 1.665 20 0 EDADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCS(C)(=O)=O ZINC000092821015 218172294 /nfs/dbraw/zinc/17/22/94/218172294.db2.gz DLWDCGMSZUZBOO-UHFFFAOYSA-N 2 1 325.478 1.665 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000261647091 139214218 /nfs/dbraw/zinc/21/42/18/139214218.db2.gz BCDHZHOIHABMEX-HSFUPAIVSA-N 2 1 337.508 1.578 20 0 EDADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000261703188 139219127 /nfs/dbraw/zinc/21/91/27/139219127.db2.gz IGXWICYHNRZAHK-MRXNPFEDSA-N 2 1 338.839 1.438 20 0 EDADMP c1cc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)ccn1 ZINC000261899329 139235073 /nfs/dbraw/zinc/23/50/73/139235073.db2.gz HLJSZEKKPDINMW-VAMGGRTRSA-N 2 1 344.503 1.793 20 0 EDADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261873212 139233071 /nfs/dbraw/zinc/23/30/71/139233071.db2.gz DJAJXLTYOQNICB-KSZLIROESA-N 2 1 339.524 1.623 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1ccnc(C[NH3+])c1 ZINC000261928408 139237818 /nfs/dbraw/zinc/23/78/18/139237818.db2.gz JIBZNAQRMCGQDA-INIZCTEOSA-N 2 1 326.400 1.336 20 0 EDADMP CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000261930656 139238029 /nfs/dbraw/zinc/23/80/29/139238029.db2.gz LNLFMJSOEWCMIZ-HUUCEWRRSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000261930656 139238030 /nfs/dbraw/zinc/23/80/30/139238030.db2.gz LNLFMJSOEWCMIZ-HUUCEWRRSA-N 2 1 335.452 1.054 20 0 EDADMP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cn1 ZINC000261938484 139238608 /nfs/dbraw/zinc/23/86/08/139238608.db2.gz MOVUFPNYLXSAOL-DZJNRPSUSA-N 2 1 333.480 1.136 20 0 EDADMP COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000262078107 139249155 /nfs/dbraw/zinc/24/91/55/139249155.db2.gz SSYVNLNVTROERD-INIZCTEOSA-N 2 1 333.432 1.293 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262112811 139251934 /nfs/dbraw/zinc/25/19/34/139251934.db2.gz FLJXZDBHZMKZLH-SQDXWYPISA-N 2 1 347.507 1.206 20 0 EDADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262101921 139251011 /nfs/dbraw/zinc/25/10/11/139251011.db2.gz DTHKSUHOYHRBTP-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262101921 139251012 /nfs/dbraw/zinc/25/10/12/139251012.db2.gz DTHKSUHOYHRBTP-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP CCCOc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OC ZINC000262128113 139253301 /nfs/dbraw/zinc/25/33/01/139253301.db2.gz NLRCDNOFHSMDMH-QGZVFWFLSA-N 2 1 333.476 1.964 20 0 EDADMP c1nc(-c2ccncc2)sc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262119098 139252505 /nfs/dbraw/zinc/25/25/05/139252505.db2.gz LTHDUMICSGFEQB-HNNXBMFYSA-N 2 1 329.473 1.685 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H]1c1cccs1 ZINC000262147745 139255207 /nfs/dbraw/zinc/25/52/07/139255207.db2.gz XHUYUQUJEATAAC-KNCOVGOOSA-N 2 1 337.489 1.754 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000262307401 139268772 /nfs/dbraw/zinc/26/87/72/139268772.db2.gz RQCRXFQOTUWXKP-INMHGKMJSA-N 2 1 344.459 1.592 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000262307401 139268773 /nfs/dbraw/zinc/26/87/73/139268773.db2.gz RQCRXFQOTUWXKP-INMHGKMJSA-N 2 1 344.459 1.592 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000416873074 251113575 /nfs/dbraw/zinc/11/35/75/251113575.db2.gz RFYQYVAKUWSCLY-ULQDDVLXSA-N 2 1 340.512 1.408 20 0 EDADMP CC[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000262302632 139268147 /nfs/dbraw/zinc/26/81/47/139268147.db2.gz BRKCRYOATVRYSN-FYWHAIQOSA-N 2 1 337.508 1.444 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000417014318 251132128 /nfs/dbraw/zinc/13/21/28/251132128.db2.gz DDAKFKQOAYYUQM-OWCLPIDISA-N 2 1 326.485 1.114 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000417573696 251192317 /nfs/dbraw/zinc/19/23/17/251192317.db2.gz XPIIASUQSRYBMT-PBHICJAKSA-N 2 1 334.464 1.616 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C2(COC)CC[NH2+]CC2)c1 ZINC000262402841 139276528 /nfs/dbraw/zinc/27/65/28/139276528.db2.gz RHCMRNSJNVHVRU-UHFFFAOYSA-N 2 1 333.476 1.771 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC(C)(C)CCC[NH3+])[C@H](C)C1 ZINC000417670909 251222354 /nfs/dbraw/zinc/22/23/54/251222354.db2.gz PCIPAEJWNFBQSO-CVEARBPZSA-N 2 1 342.528 1.940 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)C[NH+]1CCOCC1 ZINC000417716851 251238988 /nfs/dbraw/zinc/23/89/88/251238988.db2.gz KDPXZDZKVGLVSN-AEFFLSMTSA-N 2 1 348.491 1.734 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)NC3(C)CC[NH2+]CC3)CC2)[nH+]c1 ZINC000417727634 251244268 /nfs/dbraw/zinc/24/42/68/251244268.db2.gz JGHSIIUVLSGFNM-UHFFFAOYSA-N 2 1 331.464 1.800 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N[C@H]3CCC[C@H]3C[NH3+])CC2)[nH+]c1 ZINC000417724966 251244788 /nfs/dbraw/zinc/24/47/88/251244788.db2.gz FKMXYLZWYHYNRI-HOCLYGCPSA-N 2 1 331.464 1.785 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000417749744 251254573 /nfs/dbraw/zinc/25/45/73/251254573.db2.gz JNKHWWXMTOEFSA-WBVHZDCISA-N 2 1 339.528 1.077 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417825764 251287093 /nfs/dbraw/zinc/28/70/93/251287093.db2.gz NMCWUKIECBIEQT-FHLIZLRMSA-N 2 1 330.476 1.934 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000417834337 251290933 /nfs/dbraw/zinc/29/09/33/251290933.db2.gz MVKGSYIZZDITLD-INIZCTEOSA-N 2 1 348.495 1.879 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000417848186 251295730 /nfs/dbraw/zinc/29/57/30/251295730.db2.gz VJSIQFAFSSOZKC-DZGCQCFKSA-N 2 1 340.418 1.933 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000417848186 251295734 /nfs/dbraw/zinc/29/57/34/251295734.db2.gz VJSIQFAFSSOZKC-DZGCQCFKSA-N 2 1 340.418 1.933 20 0 EDADMP COCC1(CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH2+]CC1 ZINC000418109788 251325250 /nfs/dbraw/zinc/32/52/50/251325250.db2.gz DCOGPHCRLBRSHJ-INIZCTEOSA-N 2 1 338.496 1.319 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC2(C)CC[NH2+]CC2)CCCO1 ZINC000418123442 251334211 /nfs/dbraw/zinc/33/42/11/251334211.db2.gz YWVTZZZYLAYOOH-OAHLLOKOSA-N 2 1 326.485 1.176 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N(CC[NH3+])CCc2ccccc2)n1C ZINC000417854105 251299275 /nfs/dbraw/zinc/29/92/75/251299275.db2.gz SVCIUROIDXLXLB-UHFFFAOYSA-N 2 1 344.463 1.199 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000418429809 251368811 /nfs/dbraw/zinc/36/88/11/251368811.db2.gz OFIIDRMIFCKWBC-HLLBOEOZSA-N 2 1 334.464 1.437 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000418429809 251368814 /nfs/dbraw/zinc/36/88/14/251368814.db2.gz OFIIDRMIFCKWBC-HLLBOEOZSA-N 2 1 334.464 1.437 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000418194723 251352737 /nfs/dbraw/zinc/35/27/37/251352737.db2.gz DXXNTDNUNUCAQK-INIZCTEOSA-N 2 1 331.464 1.884 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC2)cn1 ZINC000418716844 251394920 /nfs/dbraw/zinc/39/49/20/251394920.db2.gz ZVRCKPIRFFUTEZ-GJZGRUSLSA-N 2 1 336.484 1.246 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC2)cn1 ZINC000418716844 251394924 /nfs/dbraw/zinc/39/49/24/251394924.db2.gz ZVRCKPIRFFUTEZ-GJZGRUSLSA-N 2 1 336.484 1.246 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1C ZINC000418624166 251380754 /nfs/dbraw/zinc/38/07/54/251380754.db2.gz YLSAITNLNDGVOU-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1C ZINC000418624166 251380758 /nfs/dbraw/zinc/38/07/58/251380758.db2.gz YLSAITNLNDGVOU-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262618081 139290583 /nfs/dbraw/zinc/29/05/83/139290583.db2.gz ICDRVAGZSTUHQY-OKZBNKHCSA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262618081 139290584 /nfs/dbraw/zinc/29/05/84/139290584.db2.gz ICDRVAGZSTUHQY-OKZBNKHCSA-N 2 1 331.460 1.521 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)cc2F)CC1 ZINC000262713661 139298341 /nfs/dbraw/zinc/29/83/41/139298341.db2.gz DCGKSLKOZULMGR-YOEHRIQHSA-N 2 1 348.466 1.695 20 0 EDADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423320529 252045834 /nfs/dbraw/zinc/04/58/34/252045834.db2.gz FLBLOKVJIDUMQA-WMLDXEAASA-N 2 1 339.505 1.977 20 0 EDADMP C[N@@H+](CCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)C1CCCCC1 ZINC000423322053 252045940 /nfs/dbraw/zinc/04/59/40/252045940.db2.gz GVPJTFVUHQLBJH-KRWDZBQOSA-N 2 1 333.480 1.802 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000423782678 252072565 /nfs/dbraw/zinc/07/25/65/252072565.db2.gz IZSMALAHWIHFBJ-ARFHVFGLSA-N 2 1 339.480 1.380 20 0 EDADMP CO[C@@H](C[NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423858467 252093939 /nfs/dbraw/zinc/09/39/39/252093939.db2.gz ZQEPUTHBCIFSLC-KRWDZBQOSA-N 2 1 331.460 1.475 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000423863772 252095245 /nfs/dbraw/zinc/09/52/45/252095245.db2.gz WYEJUKOBSVEVNC-RKVPGOIHSA-N 2 1 347.459 1.418 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000423863772 252095248 /nfs/dbraw/zinc/09/52/48/252095248.db2.gz WYEJUKOBSVEVNC-RKVPGOIHSA-N 2 1 347.459 1.418 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000423793632 252077217 /nfs/dbraw/zinc/07/72/17/252077217.db2.gz IWJBAWFOQBUGEX-BPQIPLTHSA-N 2 1 330.476 1.750 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000423801329 252080514 /nfs/dbraw/zinc/08/05/14/252080514.db2.gz SUUOFCFXARXVEQ-SQNIBIBYSA-N 2 1 330.476 1.750 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000423801633 252080781 /nfs/dbraw/zinc/08/07/81/252080781.db2.gz UDAQETLLXOHHFI-MAUKXSAKSA-N 2 1 325.497 1.711 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424148920 252145423 /nfs/dbraw/zinc/14/54/23/252145423.db2.gz VFLXZUOUDCEXMB-GJZGRUSLSA-N 2 1 333.480 1.681 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424154840 252147721 /nfs/dbraw/zinc/14/77/21/252147721.db2.gz MFBVIVUWZJXTSF-HUUCEWRRSA-N 2 1 334.468 1.053 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000262940102 139314060 /nfs/dbraw/zinc/31/40/60/139314060.db2.gz UKADVRMNMZQHNT-QAPCUYQASA-N 2 1 333.476 1.899 20 0 EDADMP C[C@H]1CC2(C[N@H+]1CC(=O)NCCc1ccc(F)cc1)CC[NH2+]CC2 ZINC000424284248 252190266 /nfs/dbraw/zinc/19/02/66/252190266.db2.gz DFZRAPBMDMXGPU-HNNXBMFYSA-N 2 1 333.451 1.948 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000425057052 252296266 /nfs/dbraw/zinc/29/62/66/252296266.db2.gz LNOHRDSSTVWFCN-ZYSHUDEJSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21)[N@H+]1CCc2ccccc2C1 ZINC000425057052 252296268 /nfs/dbraw/zinc/29/62/68/252296268.db2.gz LNOHRDSSTVWFCN-ZYSHUDEJSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)[NH+]1CCc2ccccc2C1 ZINC000425057052 252296269 /nfs/dbraw/zinc/29/62/69/252296269.db2.gz LNOHRDSSTVWFCN-ZYSHUDEJSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[NH+]1CCc2ccccc2C1 ZINC000425057052 252296271 /nfs/dbraw/zinc/29/62/71/252296271.db2.gz LNOHRDSSTVWFCN-ZYSHUDEJSA-N 2 1 327.472 1.986 20 0 EDADMP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1C[NH2+]C1 ZINC000263107128 139322727 /nfs/dbraw/zinc/32/27/27/139322727.db2.gz AAQBWKPUPOMMRK-AWEZNQCLSA-N 2 1 327.350 1.615 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000378269391 285026459 /nfs/dbraw/zinc/02/64/59/285026459.db2.gz GQTDDEIDRGAKRY-GDBMZVCRSA-N 2 1 329.510 1.041 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000263715447 139355152 /nfs/dbraw/zinc/35/51/52/139355152.db2.gz KTAOBCVAJBFVFY-KBPBESRZSA-N 2 1 332.452 1.968 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000263719895 139355556 /nfs/dbraw/zinc/35/55/56/139355556.db2.gz FMTRTCLIPZHXNO-UHFFFAOYSA-N 2 1 333.476 1.981 20 0 EDADMP C[C@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000570331188 306537740 /nfs/dbraw/zinc/53/77/40/306537740.db2.gz YQXQPJABZHHMAQ-HOCLYGCPSA-N 2 1 333.480 1.136 20 0 EDADMP CS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471836606 255015672 /nfs/dbraw/zinc/01/56/72/255015672.db2.gz JEUGOODMNNBGFK-DLBZAZTESA-N 2 1 339.505 1.208 20 0 EDADMP CS(=O)(=O)NCC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471836606 255015674 /nfs/dbraw/zinc/01/56/74/255015674.db2.gz JEUGOODMNNBGFK-DLBZAZTESA-N 2 1 339.505 1.208 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[NH+]1C ZINC000341018999 285244295 /nfs/dbraw/zinc/24/42/95/285244295.db2.gz QEOMMEOGRZKPEM-DLBZAZTESA-N 3 1 339.528 1.138 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000341018999 285244296 /nfs/dbraw/zinc/24/42/96/285244296.db2.gz QEOMMEOGRZKPEM-DLBZAZTESA-N 3 1 339.528 1.138 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000341018999 285244297 /nfs/dbraw/zinc/24/42/97/285244297.db2.gz QEOMMEOGRZKPEM-DLBZAZTESA-N 3 1 339.528 1.138 20 0 EDADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000487827209 255036885 /nfs/dbraw/zinc/03/68/85/255036885.db2.gz ZAHZWMGOOYPBRT-NBOOPKSLSA-N 2 1 334.508 1.842 20 0 EDADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000487827209 255036887 /nfs/dbraw/zinc/03/68/87/255036887.db2.gz ZAHZWMGOOYPBRT-NBOOPKSLSA-N 2 1 334.508 1.842 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000494683982 255257901 /nfs/dbraw/zinc/25/79/01/255257901.db2.gz XVVMPSGEMOBJNE-SOLBZPMBSA-N 2 1 337.508 1.866 20 0 EDADMP O=C(CC[C@@H]1CCC[NH2+]1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000494698751 255258687 /nfs/dbraw/zinc/25/86/87/255258687.db2.gz KRMQPSKIBGPMGZ-KRWDZBQOSA-N 2 1 345.491 1.242 20 0 EDADMP CC[N@@H+](CC(=O)N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1)C1CC1 ZINC000328621225 258035642 /nfs/dbraw/zinc/03/56/42/258035642.db2.gz HOUUBDXUYJITAF-HNAYVOBHSA-N 2 1 347.507 1.746 20 0 EDADMP CC[NH+](CC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C1CC1 ZINC000328621225 258035643 /nfs/dbraw/zinc/03/56/43/258035643.db2.gz HOUUBDXUYJITAF-HNAYVOBHSA-N 2 1 347.507 1.746 20 0 EDADMP CC[NH+](CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C1CC1 ZINC000328621225 258035644 /nfs/dbraw/zinc/03/56/44/258035644.db2.gz HOUUBDXUYJITAF-HNAYVOBHSA-N 2 1 347.507 1.746 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000264280872 139393227 /nfs/dbraw/zinc/39/32/27/139393227.db2.gz RNXDVYYSOFRSKK-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264324111 139397341 /nfs/dbraw/zinc/39/73/41/139397341.db2.gz AJHIXROCEUKGRH-RTBURBONSA-N 2 1 344.503 1.528 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000415881396 304283771 /nfs/dbraw/zinc/28/37/71/304283771.db2.gz IFCALRHKMXJGFX-GASCZTMLSA-N 2 1 346.475 1.953 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000269287258 139909530 /nfs/dbraw/zinc/90/95/30/139909530.db2.gz SQIKJSQYJFJQKD-NJAFHUGGSA-N 2 1 330.476 1.171 20 0 EDADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)C[NH+]2CCOCC2)o1 ZINC000270952964 140206508 /nfs/dbraw/zinc/20/65/08/140206508.db2.gz PAZFCOPKFCGXFY-HNNXBMFYSA-N 2 1 337.464 1.447 20 0 EDADMP Cc1cc(CNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000332201444 141139523 /nfs/dbraw/zinc/13/95/23/141139523.db2.gz VVXUBYGPDWLSNY-HUUCEWRRSA-N 2 1 331.464 1.882 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000332536171 141198682 /nfs/dbraw/zinc/19/86/82/141198682.db2.gz IYTNEMGGVFWWNK-LSDHHAIUSA-N 2 1 347.463 1.405 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)n1C ZINC000333124715 141267877 /nfs/dbraw/zinc/26/78/77/141267877.db2.gz AXZRTKRGNHIKPZ-OAHLLOKOSA-N 2 1 334.468 1.160 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)n1C ZINC000333125642 141268066 /nfs/dbraw/zinc/26/80/66/141268066.db2.gz BBSSPKIRIZGLAZ-CQSZACIVSA-N 2 1 334.468 1.017 20 0 EDADMP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCOCC2)c2ccccc21 ZINC000333290136 141293614 /nfs/dbraw/zinc/29/36/14/141293614.db2.gz OMTIGUUNTKLDME-QZTJIDSGSA-N 2 1 331.460 1.602 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000333595754 141342420 /nfs/dbraw/zinc/34/24/20/141342420.db2.gz OZHUFNVKVKBQPJ-LRDDRELGSA-N 2 1 346.479 1.502 20 0 EDADMP Cc1ccccc1NC(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333768652 141377201 /nfs/dbraw/zinc/37/72/01/141377201.db2.gz DYSHSMKBDOMVBX-WBVHZDCISA-N 2 1 329.444 1.634 20 0 EDADMP Cc1ccccc1NC(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333768652 141377202 /nfs/dbraw/zinc/37/72/02/141377202.db2.gz DYSHSMKBDOMVBX-WBVHZDCISA-N 2 1 329.444 1.634 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](CCCOC)CC1)C(C)C ZINC000339371412 142029244 /nfs/dbraw/zinc/02/92/44/142029244.db2.gz ITVDZSYSBZYJKS-UHFFFAOYSA-N 2 1 328.501 1.517 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000339596313 142087798 /nfs/dbraw/zinc/08/77/98/142087798.db2.gz FAMHMUCUASMBBV-HNNXBMFYSA-N 2 1 340.512 1.214 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)CC1 ZINC000345040354 143042595 /nfs/dbraw/zinc/04/25/95/143042595.db2.gz YBNSETYZVRGJDP-QFBILLFUSA-N 2 1 349.523 1.503 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000345209064 143064729 /nfs/dbraw/zinc/06/47/29/143064729.db2.gz KKWVOZCMTYZLND-FUHWJXTLSA-N 2 1 345.487 1.327 20 0 EDADMP CC(C)(CNC(=O)[C@@H]([NH3+])CC(F)F)[N@H+]1CCc2ccccc2C1 ZINC000345686278 143121324 /nfs/dbraw/zinc/12/13/24/143121324.db2.gz AHZRBIXPUGABAJ-AWEZNQCLSA-N 2 1 325.403 1.922 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]([NH3+])CC(F)F)c1 ZINC000345706469 143123772 /nfs/dbraw/zinc/12/37/72/143123772.db2.gz HFPNLQFVRPVRJF-QWHCGFSZSA-N 2 1 340.374 1.057 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]([NH3+])CC(F)F)c1 ZINC000345706469 143123773 /nfs/dbraw/zinc/12/37/73/143123773.db2.gz HFPNLQFVRPVRJF-QWHCGFSZSA-N 2 1 340.374 1.057 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)c2ccccc2C[NH+](C)C)C[C@H](C)O1 ZINC000345938579 143149263 /nfs/dbraw/zinc/14/92/63/143149263.db2.gz XYZPEKXOFWDMEC-IYBDPMFKSA-N 2 1 333.476 1.977 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000346444528 143205479 /nfs/dbraw/zinc/20/54/79/143205479.db2.gz CGAVONIAELYZED-AOIWGVFYSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000346444528 143205480 /nfs/dbraw/zinc/20/54/80/143205480.db2.gz CGAVONIAELYZED-AOIWGVFYSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000346444528 143205481 /nfs/dbraw/zinc/20/54/81/143205481.db2.gz CGAVONIAELYZED-AOIWGVFYSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000346444528 143205482 /nfs/dbraw/zinc/20/54/82/143205482.db2.gz CGAVONIAELYZED-AOIWGVFYSA-N 2 1 345.487 1.280 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1 ZINC000346621027 143222895 /nfs/dbraw/zinc/22/28/95/143222895.db2.gz SGBUSGQOAVVOEE-NVXWUHKLSA-N 2 1 325.497 1.581 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1 ZINC000346621027 143222896 /nfs/dbraw/zinc/22/28/96/143222896.db2.gz SGBUSGQOAVVOEE-NVXWUHKLSA-N 2 1 325.497 1.581 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC[N@H+]1CCOC ZINC000347055403 143277155 /nfs/dbraw/zinc/27/71/55/143277155.db2.gz LJUMSZNNPAEPEN-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP COC(=O)[C@@H]([NH+]1CCC(C[NH+]2CCOCC2)CC1)C1(OC)CCC1 ZINC000347752755 143358314 /nfs/dbraw/zinc/35/83/14/143358314.db2.gz KKEAFTQUPIRBDR-MRXNPFEDSA-N 2 1 340.464 1.141 20 0 EDADMP COCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000347933601 143380961 /nfs/dbraw/zinc/38/09/61/143380961.db2.gz FAIKQQMMAKKHNS-INIZCTEOSA-N 2 1 335.448 1.690 20 0 EDADMP COC1(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)CCOCC1 ZINC000368050449 292110763 /nfs/dbraw/zinc/11/07/63/292110763.db2.gz GEKCGPLXXVDWGO-KRWDZBQOSA-N 2 1 325.497 1.141 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000416842855 304351074 /nfs/dbraw/zinc/35/10/74/304351074.db2.gz NRTVYDBHRGLNRL-FGTMMUONSA-N 2 1 346.475 1.409 20 0 EDADMP c1ccc(N2CCOCC2)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000352695509 296615140 /nfs/dbraw/zinc/61/51/40/296615140.db2.gz WNVHHXPEEHYVOS-GOSISDBHSA-N 2 1 330.476 1.003 20 0 EDADMP COc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000369894875 155220738 /nfs/dbraw/zinc/22/07/38/155220738.db2.gz ZLFMPDJSIUCKAN-QGZVFWFLSA-N 2 1 347.459 1.663 20 0 EDADMP C[N@H+](CCCNC(=O)NCC[NH+]1CCSCC1)C1CCCCC1 ZINC000352663975 149107471 /nfs/dbraw/zinc/10/74/71/149107471.db2.gz KKDZMUDGTFDKFI-UHFFFAOYSA-N 2 1 342.553 1.989 20 0 EDADMP C[N@@H+](CCCNC(=O)NCC[NH+]1CCSCC1)C1CCCCC1 ZINC000352663975 149107473 /nfs/dbraw/zinc/10/74/73/149107473.db2.gz KKDZMUDGTFDKFI-UHFFFAOYSA-N 2 1 342.553 1.989 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@H]2C1 ZINC000355382471 150244960 /nfs/dbraw/zinc/24/49/60/150244960.db2.gz XFKSSUMYGYFJEJ-ROUUACIJSA-N 2 1 331.460 1.683 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000355400706 150253974 /nfs/dbraw/zinc/25/39/74/150253974.db2.gz UBYXLGHBUANSHA-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP CC[C@H](C)[C@H](OC)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000355451430 150273322 /nfs/dbraw/zinc/27/33/22/150273322.db2.gz YFRAHFPNDGLOII-ULQDDVLXSA-N 2 1 327.513 1.922 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000417050401 304367067 /nfs/dbraw/zinc/36/70/67/304367067.db2.gz WXWYEALGMIBYOI-SJORKVTESA-N 2 1 339.528 1.315 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000357616814 151086355 /nfs/dbraw/zinc/08/63/55/151086355.db2.gz VJWWXVVGAOXDGN-AWEZNQCLSA-N 2 1 349.475 1.955 20 0 EDADMP C[C@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000357635209 151093849 /nfs/dbraw/zinc/09/38/49/151093849.db2.gz DHODSDDBPUBJAS-WMLDXEAASA-N 2 1 336.480 1.118 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357670672 151109978 /nfs/dbraw/zinc/10/99/78/151109978.db2.gz WMTHYSYQAXYLAL-GVDBMIGSSA-N 2 1 342.528 1.905 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000357877170 151180880 /nfs/dbraw/zinc/18/08/80/151180880.db2.gz UGXGHPPEGXUBEK-NJAFHUGGSA-N 2 1 333.476 1.823 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000357877170 151180882 /nfs/dbraw/zinc/18/08/82/151180882.db2.gz UGXGHPPEGXUBEK-NJAFHUGGSA-N 2 1 333.476 1.823 20 0 EDADMP CSC1(CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC[NH+](C)CC1 ZINC000358140996 151285483 /nfs/dbraw/zinc/28/54/83/151285483.db2.gz POOHZUTYQJWGJU-AWEZNQCLSA-N 2 1 330.542 1.842 20 0 EDADMP CCOc1c(Cl)cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC000358157303 151290572 /nfs/dbraw/zinc/29/05/72/151290572.db2.gz HFMJTKQAJFTOIZ-INIZCTEOSA-N 2 1 328.840 1.904 20 0 EDADMP CCOc1c(Cl)cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000358157303 151290574 /nfs/dbraw/zinc/29/05/74/151290574.db2.gz HFMJTKQAJFTOIZ-INIZCTEOSA-N 2 1 328.840 1.904 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000358270032 151322850 /nfs/dbraw/zinc/32/28/50/151322850.db2.gz VFYBONLYUDZHIS-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000358303482 151331977 /nfs/dbraw/zinc/33/19/77/151331977.db2.gz TXYNKRZVJCNYGJ-OAHLLOKOSA-N 2 1 342.553 1.940 20 0 EDADMP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506375 151398586 /nfs/dbraw/zinc/39/85/86/151398586.db2.gz JSRICOXQSRNNRU-OAHLLOKOSA-N 2 1 333.451 1.948 20 0 EDADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NCCc1c(F)cccc1F ZINC000358504867 151398667 /nfs/dbraw/zinc/39/86/67/151398667.db2.gz JERVMTQJZAWBRB-UHFFFAOYSA-N 2 1 337.414 1.699 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417116957 304373781 /nfs/dbraw/zinc/37/37/81/304373781.db2.gz REGYJZOPFARTGH-DAYGRLMNSA-N 2 1 348.491 1.832 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417116957 304373782 /nfs/dbraw/zinc/37/37/82/304373782.db2.gz REGYJZOPFARTGH-DAYGRLMNSA-N 2 1 348.491 1.832 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccco1 ZINC000360369221 152009553 /nfs/dbraw/zinc/00/95/53/152009553.db2.gz KMYRUKJZIHEERW-CJNGLKHVSA-N 2 1 340.493 1.619 20 0 EDADMP C[NH+](C)CC1CC[NH+](CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000360402204 152022268 /nfs/dbraw/zinc/02/22/68/152022268.db2.gz RIOYTCFIQCYKJT-UHFFFAOYSA-N 2 1 330.432 1.245 20 0 EDADMP CSC1(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC[NH+](C)CC1 ZINC000360694707 152157508 /nfs/dbraw/zinc/15/75/08/152157508.db2.gz MWPVBQWBMIXMBW-AWEZNQCLSA-N 2 1 326.510 1.303 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1C ZINC000360743691 152180382 /nfs/dbraw/zinc/18/03/82/152180382.db2.gz FYCHPTGPIJPVSQ-FMKPAKJESA-N 2 1 328.526 1.548 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360742689 152180995 /nfs/dbraw/zinc/18/09/95/152180995.db2.gz ADLBRACKZFNQOV-BFYDXBDKSA-N 2 1 340.537 1.692 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1(C)C ZINC000424215429 286305544 /nfs/dbraw/zinc/30/55/44/286305544.db2.gz GDKZSGYFPKIBDV-RDTXWAMCSA-N 2 1 341.496 1.088 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000360884729 152240703 /nfs/dbraw/zinc/24/07/03/152240703.db2.gz LIQLWZNKADJRQX-HOTGVXAUSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000360884729 152240705 /nfs/dbraw/zinc/24/07/05/152240705.db2.gz LIQLWZNKADJRQX-HOTGVXAUSA-N 2 1 328.501 1.205 20 0 EDADMP O=C(CN1CCc2sccc2C1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000370137559 155342975 /nfs/dbraw/zinc/34/29/75/155342975.db2.gz CRCXBXBOZSVFOZ-HNNXBMFYSA-N 2 1 349.500 1.287 20 0 EDADMP CC(C)(C)NC(=O)NC(=O)CN1CCC(CCCn2ccnc2)CC1 ZINC000361075541 152296287 /nfs/dbraw/zinc/29/62/87/152296287.db2.gz ZPORVMGTQALNRP-UHFFFAOYSA-N 2 1 349.479 2.000 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000417179305 304381202 /nfs/dbraw/zinc/38/12/02/304381202.db2.gz NDFUCBIFSZEYLO-SFHVURJKSA-N 2 1 346.475 1.412 20 0 EDADMP Cc1nnc(CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)n1C1CC1 ZINC000363711589 153036717 /nfs/dbraw/zinc/03/67/17/153036717.db2.gz ZEJCFWBCRJDOOP-XOKHGSTOSA-N 2 1 333.480 1.900 20 0 EDADMP CCC[NH+]1CCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC1 ZINC000363992205 153117567 /nfs/dbraw/zinc/11/75/67/153117567.db2.gz KSCCUOVYBDBSIL-UHFFFAOYSA-N 2 1 333.480 1.537 20 0 EDADMP [NH3+]C[C@H]1CCC[C@H]1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417192999 304382669 /nfs/dbraw/zinc/38/26/69/304382669.db2.gz ZNTPMMRHYHKSSX-QZTJIDSGSA-N 2 1 346.475 1.445 20 0 EDADMP Cn1cc([C@@H]2[C@@H](CNC(=[NH2+])Nc3ccccn3)CCC[N@H+]2C)cn1 ZINC000364249482 153185978 /nfs/dbraw/zinc/18/59/78/153185978.db2.gz GBYDCIRAWOJQIO-CJNGLKHVSA-N 2 1 327.436 1.834 20 0 EDADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC000364275662 153194045 /nfs/dbraw/zinc/19/40/45/153194045.db2.gz ZUAWVUUTMBXDGS-SFHVURJKSA-N 2 1 344.503 1.647 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC000364275662 153194047 /nfs/dbraw/zinc/19/40/47/153194047.db2.gz ZUAWVUUTMBXDGS-SFHVURJKSA-N 2 1 344.503 1.647 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@H]1CCc2[nH+]ccn2C1)C[NH+]1CCCC1 ZINC000364705769 153309595 /nfs/dbraw/zinc/30/95/95/153309595.db2.gz LWXNJHKCLLDNNJ-HZPDHXFCSA-N 2 1 333.480 1.819 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000417345056 304392984 /nfs/dbraw/zinc/39/29/84/304392984.db2.gz SUGJZSXIXQKQAX-CRAIPNDOSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000417348736 304393700 /nfs/dbraw/zinc/39/37/00/304393700.db2.gz ZCFFFAHPEOMOPH-CRAIPNDOSA-N 2 1 330.476 1.956 20 0 EDADMP CCCCCCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369408649 155017687 /nfs/dbraw/zinc/01/76/87/155017687.db2.gz PZLQGZDQGIPHSU-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP CCCCCCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369408649 155017691 /nfs/dbraw/zinc/01/76/91/155017691.db2.gz PZLQGZDQGIPHSU-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP C[C@@H](C(=O)N1CCC[NH+](C2CCOCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369535135 155076471 /nfs/dbraw/zinc/07/64/71/155076471.db2.gz NXBUQYJQURBUDS-BBWFWOEESA-N 2 1 337.508 1.961 20 0 EDADMP C[C@@H](C(=O)N1CCC[N@@H+](C2CCOCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369535135 155076475 /nfs/dbraw/zinc/07/64/75/155076475.db2.gz NXBUQYJQURBUDS-BBWFWOEESA-N 2 1 337.508 1.961 20 0 EDADMP C[C@@H](C(=O)N1CCC[N@H+](C2CCOCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369535135 155076479 /nfs/dbraw/zinc/07/64/79/155076479.db2.gz NXBUQYJQURBUDS-BBWFWOEESA-N 2 1 337.508 1.961 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000458439811 292335819 /nfs/dbraw/zinc/33/58/19/292335819.db2.gz LZOZZJHZUFARNY-QGZVFWFLSA-N 2 1 326.485 1.082 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458439811 292335822 /nfs/dbraw/zinc/33/58/22/292335822.db2.gz LZOZZJHZUFARNY-QGZVFWFLSA-N 2 1 326.485 1.082 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000458439811 292335824 /nfs/dbraw/zinc/33/58/24/292335824.db2.gz LZOZZJHZUFARNY-QGZVFWFLSA-N 2 1 326.485 1.082 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)NC[C@H](C)[NH+](C)C2CC2)CC1 ZINC000371762238 292351601 /nfs/dbraw/zinc/35/16/01/292351601.db2.gz GAQAAGOMBSNXQO-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000371762238 292351602 /nfs/dbraw/zinc/35/16/02/292351602.db2.gz GAQAAGOMBSNXQO-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000371762238 292351603 /nfs/dbraw/zinc/35/16/03/292351603.db2.gz GAQAAGOMBSNXQO-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP COc1ccc([C@@H]2[C@@H](CNC(=O)[C@@H]3CSC[NH2+]3)CCC[N@@H+]2C)cc1 ZINC000374460737 157298330 /nfs/dbraw/zinc/29/83/30/157298330.db2.gz IWOXIIDKQWEJET-HYVNUMGLSA-N 2 1 349.500 1.857 20 0 EDADMP COc1ccc([C@@H]2[C@@H](CNC(=O)[C@@H]3CSC[NH2+]3)CCC[N@H+]2C)cc1 ZINC000374460737 157298332 /nfs/dbraw/zinc/29/83/32/157298332.db2.gz IWOXIIDKQWEJET-HYVNUMGLSA-N 2 1 349.500 1.857 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000374585137 157336941 /nfs/dbraw/zinc/33/69/41/157336941.db2.gz NXEKBDBKBGXBHJ-AITUJVMLSA-N 2 1 345.487 1.862 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000378510993 158195135 /nfs/dbraw/zinc/19/51/35/158195135.db2.gz KEPFJTSMSCXKRG-UHFFFAOYSA-N 2 1 335.496 1.429 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000378510993 158195137 /nfs/dbraw/zinc/19/51/37/158195137.db2.gz KEPFJTSMSCXKRG-UHFFFAOYSA-N 2 1 335.496 1.429 20 0 EDADMP CNC(=O)NC(=O)CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352421461 162174932 /nfs/dbraw/zinc/17/49/32/162174932.db2.gz CQZRWVNIWSVQNI-IAGOWNOFSA-N 2 1 344.459 1.286 20 0 EDADMP CNC(=O)NC(=O)CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352421461 162174933 /nfs/dbraw/zinc/17/49/33/162174933.db2.gz CQZRWVNIWSVQNI-IAGOWNOFSA-N 2 1 344.459 1.286 20 0 EDADMP CNC(=O)NC(=O)CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352421461 162174934 /nfs/dbraw/zinc/17/49/34/162174934.db2.gz CQZRWVNIWSVQNI-IAGOWNOFSA-N 2 1 344.459 1.286 20 0 EDADMP [NH3+]CCC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)CC1CCCC1 ZINC000352508006 162218870 /nfs/dbraw/zinc/21/88/70/162218870.db2.gz GBJSVFJHLQRZEY-QZTJIDSGSA-N 2 1 337.508 1.997 20 0 EDADMP COc1ccncc1CNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000366314986 162375959 /nfs/dbraw/zinc/37/59/59/162375959.db2.gz RNHINFDFADFBAK-OAHLLOKOSA-N 2 1 347.463 1.058 20 0 EDADMP COc1ccncc1CNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000366314986 162375964 /nfs/dbraw/zinc/37/59/64/162375964.db2.gz RNHINFDFADFBAK-OAHLLOKOSA-N 2 1 347.463 1.058 20 0 EDADMP CCC[N@@H+]1CC[C@@H](CNC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000111735490 287338119 /nfs/dbraw/zinc/33/81/19/287338119.db2.gz RRPPIFQEHCDOKC-KRWDZBQOSA-N 2 1 339.528 1.045 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000111735490 287338122 /nfs/dbraw/zinc/33/81/22/287338122.db2.gz RRPPIFQEHCDOKC-KRWDZBQOSA-N 2 1 339.528 1.045 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000665758987 452328609 /nfs/dbraw/zinc/32/86/09/452328609.db2.gz WFQUQLOBKQVYGX-KKUMJFAQSA-N 2 1 330.542 1.794 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000665758987 452328621 /nfs/dbraw/zinc/32/86/21/452328621.db2.gz WFQUQLOBKQVYGX-KKUMJFAQSA-N 2 1 330.542 1.794 20 0 EDADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274811632 268212180 /nfs/dbraw/zinc/21/21/80/268212180.db2.gz IAUYNADJZAKMHJ-NVXWUHKLSA-N 2 1 346.475 1.722 20 0 EDADMP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274811632 268212182 /nfs/dbraw/zinc/21/21/82/268212182.db2.gz IAUYNADJZAKMHJ-NVXWUHKLSA-N 2 1 346.475 1.722 20 0 EDADMP Cc1cc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cc[nH+]1 ZINC000274827833 268215721 /nfs/dbraw/zinc/21/57/21/268215721.db2.gz RKYZWLUVEHURCG-GOSISDBHSA-N 2 1 327.428 1.952 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000274915312 268237614 /nfs/dbraw/zinc/23/76/14/268237614.db2.gz VVZQSEFWAZMARE-OAHLLOKOSA-N 2 1 332.448 1.592 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+](CCCO)[C@@H]2CCc3ccccc32)CC1 ZINC000275303341 268319110 /nfs/dbraw/zinc/31/91/10/268319110.db2.gz QHNINPPDCRTKPP-LJQANCHMSA-N 2 1 345.487 1.522 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCCO)[C@@H]2CCc3ccccc32)CC1 ZINC000275303341 268319111 /nfs/dbraw/zinc/31/91/11/268319111.db2.gz QHNINPPDCRTKPP-LJQANCHMSA-N 2 1 345.487 1.522 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1 ZINC000275543911 268358357 /nfs/dbraw/zinc/35/83/57/268358357.db2.gz SWADTDUQSVZHEZ-GOEBONIOSA-N 2 1 336.432 1.096 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000275543911 268358359 /nfs/dbraw/zinc/35/83/59/268358359.db2.gz SWADTDUQSVZHEZ-GOEBONIOSA-N 2 1 336.432 1.096 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000275543911 268358360 /nfs/dbraw/zinc/35/83/60/268358360.db2.gz SWADTDUQSVZHEZ-GOEBONIOSA-N 2 1 336.432 1.096 20 0 EDADMP C[NH+](C)CCc1ccccc1NC(=O)NCC[NH+]1CCSCC1 ZINC000275623622 268365914 /nfs/dbraw/zinc/36/59/14/268365914.db2.gz JWWCTDLMIYJURD-UHFFFAOYSA-N 2 1 336.505 1.961 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000275668810 273117869 /nfs/dbraw/zinc/11/78/69/273117869.db2.gz OTYVYUYDDUKPRO-INIZCTEOSA-N 2 1 348.491 1.975 20 0 EDADMP COCC[N@H+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000275668810 273117870 /nfs/dbraw/zinc/11/78/70/273117870.db2.gz OTYVYUYDDUKPRO-INIZCTEOSA-N 2 1 348.491 1.975 20 0 EDADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)NC(C1CC1)C1CC1 ZINC000174239243 272935461 /nfs/dbraw/zinc/93/54/61/272935461.db2.gz QWXQFMRUTORSPY-UHFFFAOYSA-N 2 1 349.519 1.868 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000278246897 273256653 /nfs/dbraw/zinc/25/66/53/273256653.db2.gz MDQDZQPRHVZHMW-RHSMWYFYSA-N 2 1 335.448 1.710 20 0 EDADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000283972000 274032275 /nfs/dbraw/zinc/03/22/75/274032275.db2.gz ILRKNRZRKQFPBF-MRXNPFEDSA-N 2 1 349.479 1.079 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000283972000 274032276 /nfs/dbraw/zinc/03/22/76/274032276.db2.gz ILRKNRZRKQFPBF-MRXNPFEDSA-N 2 1 349.479 1.079 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000284830676 274349816 /nfs/dbraw/zinc/34/98/16/274349816.db2.gz MQKRVQVBBFYWCP-NZSAHSFTSA-N 2 1 345.487 1.591 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000284830676 274349817 /nfs/dbraw/zinc/34/98/17/274349817.db2.gz MQKRVQVBBFYWCP-NZSAHSFTSA-N 2 1 345.487 1.591 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000284830676 274349818 /nfs/dbraw/zinc/34/98/18/274349818.db2.gz MQKRVQVBBFYWCP-NZSAHSFTSA-N 2 1 345.487 1.591 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000285007463 274420433 /nfs/dbraw/zinc/42/04/33/274420433.db2.gz UBGWNDXSCXAVPI-UHFFFAOYSA-N 2 1 349.479 1.077 20 0 EDADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000356610628 276254329 /nfs/dbraw/zinc/25/43/29/276254329.db2.gz UNUQLGKZWPILJN-MSOLQXFVSA-N 2 1 338.540 1.593 20 0 EDADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000246184011 277003118 /nfs/dbraw/zinc/00/31/18/277003118.db2.gz HNTJUXASFNNIDW-QGZVFWFLSA-N 2 1 344.503 1.914 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000378205078 277106162 /nfs/dbraw/zinc/10/61/62/277106162.db2.gz MIBQAMSJNXEAPH-MSOLQXFVSA-N 2 1 330.476 1.091 20 0 EDADMP CN1CCN(c2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccn2)CC1 ZINC000422878330 277112450 /nfs/dbraw/zinc/11/24/50/277112450.db2.gz IZKPRUOHNBDTPP-GBESFXJTSA-N 2 1 343.519 1.844 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3CC34CCSCC4)cn2)CC1 ZINC000421380195 277114468 /nfs/dbraw/zinc/11/44/68/277114468.db2.gz LZDUOKZVQONLSG-INIZCTEOSA-N 2 1 347.532 1.851 20 0 EDADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000457891545 277150380 /nfs/dbraw/zinc/15/03/80/277150380.db2.gz BBBWISMGYIOXSL-INIZCTEOSA-N 2 1 340.512 1.395 20 0 EDADMP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843831 277236701 /nfs/dbraw/zinc/23/67/01/277236701.db2.gz ZGLAHIOXAHAKHX-HNNXBMFYSA-N 2 1 346.475 1.675 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358110048 278193116 /nfs/dbraw/zinc/19/31/16/278193116.db2.gz JZBBCVLPJXMCFO-IKGGRYGDSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369258526 278210373 /nfs/dbraw/zinc/21/03/73/278210373.db2.gz WKXQIBMRBIOYMM-VVLHAWIVSA-N 2 1 336.524 1.532 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369258526 278210374 /nfs/dbraw/zinc/21/03/74/278210374.db2.gz WKXQIBMRBIOYMM-VVLHAWIVSA-N 2 1 336.524 1.532 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369258526 278210375 /nfs/dbraw/zinc/21/03/75/278210375.db2.gz WKXQIBMRBIOYMM-VVLHAWIVSA-N 2 1 336.524 1.532 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369258526 278210376 /nfs/dbraw/zinc/21/03/76/278210376.db2.gz WKXQIBMRBIOYMM-VVLHAWIVSA-N 2 1 336.524 1.532 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369258526 278210377 /nfs/dbraw/zinc/21/03/77/278210377.db2.gz WKXQIBMRBIOYMM-VVLHAWIVSA-N 2 1 336.524 1.532 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000417097628 278225626 /nfs/dbraw/zinc/22/56/26/278225626.db2.gz ASUTWQKLJQKCER-JYJNAYRXSA-N 2 1 348.491 1.832 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000073437672 279097338 /nfs/dbraw/zinc/09/73/38/279097338.db2.gz LFTVYXKNTIRWAB-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000249092526 279270112 /nfs/dbraw/zinc/27/01/12/279270112.db2.gz HHMBTYFEHGNDLY-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249092526 279270113 /nfs/dbraw/zinc/27/01/13/279270113.db2.gz HHMBTYFEHGNDLY-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249092526 279270115 /nfs/dbraw/zinc/27/01/15/279270115.db2.gz HHMBTYFEHGNDLY-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccnc1OC ZINC000263815302 279329557 /nfs/dbraw/zinc/32/95/57/279329557.db2.gz PBMIFBLBGLZKEO-HNNXBMFYSA-N 2 1 334.464 1.578 20 0 EDADMP C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000178856545 279392779 /nfs/dbraw/zinc/39/27/79/279392779.db2.gz KSWBJJRBUOPRDA-NSHDSACASA-N 2 1 340.265 1.877 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000341936715 288129532 /nfs/dbraw/zinc/12/95/32/288129532.db2.gz ANUIONSRGBNMPT-XPKDYRNWSA-N 2 1 326.510 1.206 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287157579 288168729 /nfs/dbraw/zinc/16/87/29/288168729.db2.gz MESWZOAYSKMKOP-HZPDHXFCSA-N 2 1 349.479 1.077 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)COC(C)(C)C)CCN1C1CC[NH+](C)CC1 ZINC000343713696 288185090 /nfs/dbraw/zinc/18/50/90/288185090.db2.gz GXDZZCBHPIUXEI-NVXWUHKLSA-N 2 1 327.513 1.263 20 0 EDADMP O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262027528 280222309 /nfs/dbraw/zinc/22/23/09/280222309.db2.gz XDYRFVQXUADTRV-RCCFBDPRSA-N 2 1 347.459 1.631 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000418165907 280279086 /nfs/dbraw/zinc/27/90/86/280279086.db2.gz IREAXSYZFSCMFZ-OAHLLOKOSA-N 2 1 327.517 1.027 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H](C)[NH+](CC)CC)C[C@H]1[NH+]1CCOCC1 ZINC000350733100 280356580 /nfs/dbraw/zinc/35/65/80/280356580.db2.gz XEQOHFCBXDGCMB-GVDBMIGSSA-N 2 1 340.512 1.469 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000360135244 280361394 /nfs/dbraw/zinc/36/13/94/280361394.db2.gz IWWDVZBPYBPTAL-BRWVUGGUSA-N 2 1 340.512 1.467 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000360135244 280361395 /nfs/dbraw/zinc/36/13/95/280361395.db2.gz IWWDVZBPYBPTAL-BRWVUGGUSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000650611443 452881729 /nfs/dbraw/zinc/88/17/29/452881729.db2.gz MAKQATAVMNWMNY-UHFFFAOYSA-N 2 1 341.544 1.290 20 0 EDADMP CC(C)C[N@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000650611443 452881735 /nfs/dbraw/zinc/88/17/35/452881735.db2.gz MAKQATAVMNWMNY-UHFFFAOYSA-N 2 1 341.544 1.290 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000650611443 452881739 /nfs/dbraw/zinc/88/17/39/452881739.db2.gz MAKQATAVMNWMNY-UHFFFAOYSA-N 2 1 341.544 1.290 20 0 EDADMP Cc1ccc2c(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1 ZINC000261655663 281045071 /nfs/dbraw/zinc/04/50/71/281045071.db2.gz KAWKPHDEAROQLA-MRXNPFEDSA-N 2 1 327.428 1.581 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)[nH+]c1 ZINC000291656433 289140126 /nfs/dbraw/zinc/14/01/26/289140126.db2.gz OHOWPKGDRGMWEP-GOSISDBHSA-N 2 1 331.464 1.929 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)[nH+]c1 ZINC000291656433 289140127 /nfs/dbraw/zinc/14/01/27/289140127.db2.gz OHOWPKGDRGMWEP-GOSISDBHSA-N 2 1 331.464 1.929 20 0 EDADMP C[N@@H+](C[C@@H](O)CN1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291733019 289164713 /nfs/dbraw/zinc/16/47/13/289164713.db2.gz JRDGQKPGZIQKRY-WOJBJXKFSA-N 2 1 332.488 1.759 20 0 EDADMP CN(C[C@@H](O)C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291733019 289164716 /nfs/dbraw/zinc/16/47/16/289164716.db2.gz JRDGQKPGZIQKRY-WOJBJXKFSA-N 2 1 332.488 1.759 20 0 EDADMP CN(C[C@@H](O)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291733019 289164720 /nfs/dbraw/zinc/16/47/20/289164720.db2.gz JRDGQKPGZIQKRY-WOJBJXKFSA-N 2 1 332.488 1.759 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000269241165 289278644 /nfs/dbraw/zinc/27/86/44/289278644.db2.gz QTKIEBPDSPBOIR-WFASDCNBSA-N 2 1 325.840 1.437 20 0 EDADMP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292189188 289284554 /nfs/dbraw/zinc/28/45/54/289284554.db2.gz REJBMJGISCEHDL-QFBILLFUSA-N 2 1 334.460 1.853 20 0 EDADMP CCOc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292189188 289284555 /nfs/dbraw/zinc/28/45/55/289284555.db2.gz REJBMJGISCEHDL-QFBILLFUSA-N 2 1 334.460 1.853 20 0 EDADMP CCOc1ccc(OC[C@@H](O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292189188 289284556 /nfs/dbraw/zinc/28/45/56/289284556.db2.gz REJBMJGISCEHDL-QFBILLFUSA-N 2 1 334.460 1.853 20 0 EDADMP CCOc1ccc(OC[C@@H](O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292189188 289284557 /nfs/dbraw/zinc/28/45/57/289284557.db2.gz REJBMJGISCEHDL-QFBILLFUSA-N 2 1 334.460 1.853 20 0 EDADMP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342142730 289334090 /nfs/dbraw/zinc/33/40/90/289334090.db2.gz WBBKOUWVUOLYSX-BFJAYTPKSA-N 2 1 336.480 1.593 20 0 EDADMP C[C@H](c1ccc(NC(=O)C2(C[NH3+])CCOCC2)cc1)[NH+]1CCOCC1 ZINC000262089356 290234252 /nfs/dbraw/zinc/23/42/52/290234252.db2.gz CYEGAYBEYFLLPB-OAHLLOKOSA-N 2 1 347.459 1.774 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H](C)O1 ZINC000365216938 297016824 /nfs/dbraw/zinc/01/68/24/297016824.db2.gz CZAHUELPKXOXMT-CIRFHOKZSA-N 2 1 335.492 1.428 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H](C)O1 ZINC000365216938 297016827 /nfs/dbraw/zinc/01/68/27/297016827.db2.gz CZAHUELPKXOXMT-CIRFHOKZSA-N 2 1 335.492 1.428 20 0 EDADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NCCCN1CCCCCC1=O ZINC000352508873 295239868 /nfs/dbraw/zinc/23/98/68/295239868.db2.gz IDVYEPHMFVIYTL-MRXNPFEDSA-N 2 1 338.496 1.099 20 0 EDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NCCCN1CCCCCC1=O ZINC000352508873 295239870 /nfs/dbraw/zinc/23/98/70/295239870.db2.gz IDVYEPHMFVIYTL-MRXNPFEDSA-N 2 1 338.496 1.099 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262296891 297356482 /nfs/dbraw/zinc/35/64/82/297356482.db2.gz PGPKWRXMMIVPTC-GASCZTMLSA-N 2 1 325.497 1.615 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000372842840 447311871 /nfs/dbraw/zinc/31/18/71/447311871.db2.gz QWAFVOBKIKGFAJ-SOLBZPMBSA-N 2 1 349.519 1.866 20 0 EDADMP [NH3+]CC1(O)CC[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000420399486 304755551 /nfs/dbraw/zinc/75/55/51/304755551.db2.gz BNJZOKZQUARZIQ-OAHLLOKOSA-N 2 1 337.851 1.621 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@H+]3C)cc2)CC1 ZINC000422028747 447316462 /nfs/dbraw/zinc/31/64/62/447316462.db2.gz XKGJOEXJHPFJPA-LJQANCHMSA-N 2 1 344.503 1.995 20 0 EDADMP Cc1cccc(NC[C@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000374902166 302005007 /nfs/dbraw/zinc/00/50/07/302005007.db2.gz LZVJIIZAEQJHJT-QGZVFWFLSA-N 2 1 345.491 1.430 20 0 EDADMP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000374902166 302005009 /nfs/dbraw/zinc/00/50/09/302005009.db2.gz LZVJIIZAEQJHJT-QGZVFWFLSA-N 2 1 345.491 1.430 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372861259 447322614 /nfs/dbraw/zinc/32/26/14/447322614.db2.gz XEQXOFBFPANPAQ-GOSISDBHSA-N 2 1 348.466 1.106 20 0 EDADMP C[C@@H](O)CNc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ncn1 ZINC000294256901 303083851 /nfs/dbraw/zinc/08/38/51/303083851.db2.gz FEAYOEFSLNSONR-GDBMZVCRSA-N 2 1 327.432 1.956 20 0 EDADMP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000294734701 303140477 /nfs/dbraw/zinc/14/04/77/303140477.db2.gz NUHKIFGFPRNXGK-KRWDZBQOSA-N 2 1 325.416 1.968 20 0 EDADMP CO[C@H](Cc1ccccc1)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000294860509 303150802 /nfs/dbraw/zinc/15/08/02/303150802.db2.gz AOVXATLRBGAAHN-LJQANCHMSA-N 2 1 347.503 1.729 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000295181788 303184652 /nfs/dbraw/zinc/18/46/52/303184652.db2.gz MSGODZVKOXFXBN-OAHLLOKOSA-N 2 1 346.475 1.392 20 0 EDADMP [NH3+]CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CC1CCCC1 ZINC000352488009 303375977 /nfs/dbraw/zinc/37/59/77/303375977.db2.gz LDWUUNAYALRNOF-UHFFFAOYSA-N 2 1 338.374 1.216 20 0 EDADMP Cc1ccc(CCN2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@H]2C)cc1 ZINC000377764617 447343299 /nfs/dbraw/zinc/34/32/99/447343299.db2.gz VEFOYJRLNHUTLX-QUCCMNQESA-N 2 1 331.504 1.874 20 0 EDADMP Cc1ccc(CCN2CC[N@H+](C[C@@H]3CN(C)CCO3)C[C@H]2C)cc1 ZINC000377764617 447343306 /nfs/dbraw/zinc/34/33/06/447343306.db2.gz VEFOYJRLNHUTLX-QUCCMNQESA-N 2 1 331.504 1.874 20 0 EDADMP NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377768924 447347004 /nfs/dbraw/zinc/34/70/04/447347004.db2.gz SXRGJQWSRITYPB-CVEARBPZSA-N 2 1 330.432 1.025 20 0 EDADMP NC(=O)NC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377768924 447347010 /nfs/dbraw/zinc/34/70/10/447347010.db2.gz SXRGJQWSRITYPB-CVEARBPZSA-N 2 1 330.432 1.025 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000414891735 447345805 /nfs/dbraw/zinc/34/58/05/447345805.db2.gz WVOGHLVWMPTIMY-INIZCTEOSA-N 2 1 332.448 1.143 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000414891735 447345810 /nfs/dbraw/zinc/34/58/10/447345810.db2.gz WVOGHLVWMPTIMY-INIZCTEOSA-N 2 1 332.448 1.143 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000424001916 304924223 /nfs/dbraw/zinc/92/42/23/304924223.db2.gz NTLZRNVTJXPGIL-IRXDYDNUSA-N 2 1 342.447 1.203 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1C ZINC000430131887 305046058 /nfs/dbraw/zinc/04/60/58/305046058.db2.gz NEIQVLQNHWPSLU-SFHVURJKSA-N 2 1 334.464 1.591 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1C ZINC000430131887 305046059 /nfs/dbraw/zinc/04/60/59/305046059.db2.gz NEIQVLQNHWPSLU-SFHVURJKSA-N 2 1 334.464 1.591 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC000430131887 305046060 /nfs/dbraw/zinc/04/60/60/305046060.db2.gz NEIQVLQNHWPSLU-SFHVURJKSA-N 2 1 334.464 1.591 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC000430131887 305046061 /nfs/dbraw/zinc/04/60/61/305046061.db2.gz NEIQVLQNHWPSLU-SFHVURJKSA-N 2 1 334.464 1.591 20 0 EDADMP [NH3+]CCCOC1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000430599162 305057987 /nfs/dbraw/zinc/05/79/87/305057987.db2.gz VIYNHNZGEOVBRQ-UHFFFAOYSA-N 2 1 341.402 1.411 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000430932723 305068804 /nfs/dbraw/zinc/06/88/04/305068804.db2.gz ZVXHKMPOTBBWSJ-OFQRWUPVSA-N 2 1 349.475 1.720 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000430932723 305068805 /nfs/dbraw/zinc/06/88/05/305068805.db2.gz ZVXHKMPOTBBWSJ-OFQRWUPVSA-N 2 1 349.475 1.720 20 0 EDADMP CCC[N@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000431064076 305073895 /nfs/dbraw/zinc/07/38/95/305073895.db2.gz BWIHUDFHWASIAF-GDBMZVCRSA-N 2 1 338.496 1.855 20 0 EDADMP CCC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000431064076 305073896 /nfs/dbraw/zinc/07/38/96/305073896.db2.gz BWIHUDFHWASIAF-GDBMZVCRSA-N 2 1 338.496 1.855 20 0 EDADMP Cc1nc(C)n(C[C@@H]2CCCN(Cc3nc(C(C)(C)N)no3)C2)n1 ZINC000431067158 305074264 /nfs/dbraw/zinc/07/42/64/305074264.db2.gz PFUYVXRGUJNJIM-CYBMUJFWSA-N 2 1 333.440 1.384 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433385690 305107431 /nfs/dbraw/zinc/10/74/31/305107431.db2.gz YSKOEDCZGMVHQR-GJZGRUSLSA-N 2 1 348.495 1.443 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CCC[N@H+]1C ZINC000433411717 305108327 /nfs/dbraw/zinc/10/83/27/305108327.db2.gz QWECWKRQLOKIBT-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CCC[NH+]1C ZINC000433411717 305108328 /nfs/dbraw/zinc/10/83/28/305108328.db2.gz QWECWKRQLOKIBT-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CCC[NH+]1C ZINC000433411717 305108329 /nfs/dbraw/zinc/10/83/29/305108329.db2.gz QWECWKRQLOKIBT-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H]([NH3+])CCC(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000434674636 305127114 /nfs/dbraw/zinc/12/71/14/305127114.db2.gz ILNAJSCULJLJHN-ZDUSSCGKSA-N 2 1 345.447 1.504 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000435053841 305135701 /nfs/dbraw/zinc/13/57/01/305135701.db2.gz WSBCFIFZYBUDPK-HNNXBMFYSA-N 2 1 329.448 1.728 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)CC[C@@H]1[NH3+] ZINC000435377165 305139370 /nfs/dbraw/zinc/13/93/70/305139370.db2.gz YRHOYWRGHDOVPH-YOEHRIQHSA-N 2 1 331.460 1.761 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)CC[C@@H]1[NH3+] ZINC000435377165 305139371 /nfs/dbraw/zinc/13/93/71/305139371.db2.gz YRHOYWRGHDOVPH-YOEHRIQHSA-N 2 1 331.460 1.761 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1C ZINC000438067223 305181077 /nfs/dbraw/zinc/18/10/77/305181077.db2.gz UGXPVMUAJKGPIF-CYBMUJFWSA-N 2 1 347.463 1.994 20 0 EDADMP C[NH+](CCOCC[N@H+](C)[C@H]1CC[C@H](O)CC1)[C@H]1CC[C@H](O)CC1 ZINC000439290946 305196042 /nfs/dbraw/zinc/19/60/42/305196042.db2.gz CNVQFESTBVWNOL-OPMHRUBESA-N 2 1 328.497 1.474 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440481854 305207559 /nfs/dbraw/zinc/20/75/59/305207559.db2.gz BOQTXXAOVCSUMS-GOSISDBHSA-N 2 1 336.480 1.977 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440481854 305207560 /nfs/dbraw/zinc/20/75/60/305207560.db2.gz BOQTXXAOVCSUMS-GOSISDBHSA-N 2 1 336.480 1.977 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC000441462377 305222304 /nfs/dbraw/zinc/22/23/04/305222304.db2.gz ZDCIKQTVESGBJX-IYBDPMFKSA-N 2 1 340.512 1.115 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000441462377 305222305 /nfs/dbraw/zinc/22/23/05/305222305.db2.gz ZDCIKQTVESGBJX-IYBDPMFKSA-N 2 1 340.512 1.115 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000441462377 305222306 /nfs/dbraw/zinc/22/23/06/305222306.db2.gz ZDCIKQTVESGBJX-IYBDPMFKSA-N 2 1 340.512 1.115 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2)C[C@@H](C)O1 ZINC000446409937 305264705 /nfs/dbraw/zinc/26/47/05/305264705.db2.gz AZPZUUPRDOUJIS-ARFHVFGLSA-N 2 1 331.460 1.730 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CCOCC1 ZINC000447958078 305289593 /nfs/dbraw/zinc/28/95/93/305289593.db2.gz DMJLDTKLGNQOET-HNNXBMFYSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000448366119 305296198 /nfs/dbraw/zinc/29/61/98/305296198.db2.gz ZYKLVCCHXJYYDA-NVXWUHKLSA-N 2 1 333.480 1.354 20 0 EDADMP C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000448366119 305296199 /nfs/dbraw/zinc/29/61/99/305296199.db2.gz ZYKLVCCHXJYYDA-NVXWUHKLSA-N 2 1 333.480 1.354 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)COC1CCC([NH3+])CC1 ZINC000449102946 305306653 /nfs/dbraw/zinc/30/66/53/305306653.db2.gz NBFWEMOSMQZKES-DLXPNOHRSA-N 2 1 325.497 1.756 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000449340383 305311915 /nfs/dbraw/zinc/31/19/15/305311915.db2.gz OHUAYMMZOCIVHA-GDBMZVCRSA-N 2 1 344.459 1.258 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000515144571 305715869 /nfs/dbraw/zinc/71/58/69/305715869.db2.gz HTOHGHLVOMXCCA-YESZJQIVSA-N 2 1 338.496 1.400 20 0 EDADMP C[C@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000515483327 305722741 /nfs/dbraw/zinc/72/27/41/305722741.db2.gz NBBBNKLFNINFST-RDJZCZTQSA-N 2 1 338.540 1.591 20 0 EDADMP O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000519119001 305766570 /nfs/dbraw/zinc/76/65/70/305766570.db2.gz YJYMGSSGRXYAED-BBWFWOEESA-N 2 1 338.496 1.461 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)CC1 ZINC000547691273 306108421 /nfs/dbraw/zinc/10/84/21/306108421.db2.gz PMLCJPGZOJUCNG-WMZOPIPTSA-N 2 1 336.480 1.567 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cn2cc[nH+]c12 ZINC000550811059 306154302 /nfs/dbraw/zinc/15/43/02/306154302.db2.gz UVTNDGRGKXIWDU-CYBMUJFWSA-N 2 1 329.404 1.039 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)cn2cc[nH+]c12 ZINC000550811059 306154303 /nfs/dbraw/zinc/15/43/03/306154303.db2.gz UVTNDGRGKXIWDU-CYBMUJFWSA-N 2 1 329.404 1.039 20 0 EDADMP Cc1ccccc1[C@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000556942842 306221546 /nfs/dbraw/zinc/22/15/46/306221546.db2.gz HNIMTDAFEVPRBN-SJLPKXTDSA-N 2 1 331.460 1.566 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cn2cc[nH+]c12 ZINC000415426509 447428174 /nfs/dbraw/zinc/42/81/74/447428174.db2.gz AHYUXYJLLPIBHY-QWHCGFSZSA-N 2 1 329.404 1.167 20 0 EDADMP C[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000101638453 441158684 /nfs/dbraw/zinc/15/86/84/441158684.db2.gz SPGVMTDTVHPNNN-SJORKVTESA-N 2 1 344.503 1.185 20 0 EDADMP C[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000101638453 441158686 /nfs/dbraw/zinc/15/86/86/441158686.db2.gz SPGVMTDTVHPNNN-SJORKVTESA-N 2 1 344.503 1.185 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000105104297 441233742 /nfs/dbraw/zinc/23/37/42/441233742.db2.gz NDPLBSPDUNHUHA-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000105234092 441244167 /nfs/dbraw/zinc/24/41/67/441244167.db2.gz PKFCIMLLSMZWKB-INIZCTEOSA-N 2 1 341.544 1.384 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000105234092 441244173 /nfs/dbraw/zinc/24/41/73/441244173.db2.gz PKFCIMLLSMZWKB-INIZCTEOSA-N 2 1 341.544 1.384 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000105234092 441244178 /nfs/dbraw/zinc/24/41/78/441244178.db2.gz PKFCIMLLSMZWKB-INIZCTEOSA-N 2 1 341.544 1.384 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000105234092 441244184 /nfs/dbraw/zinc/24/41/84/441244184.db2.gz PKFCIMLLSMZWKB-INIZCTEOSA-N 2 1 341.544 1.384 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000105234092 441244187 /nfs/dbraw/zinc/24/41/87/441244187.db2.gz PKFCIMLLSMZWKB-INIZCTEOSA-N 3 1 341.544 1.384 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000073112711 441294603 /nfs/dbraw/zinc/29/46/03/441294603.db2.gz CECOTIFNEORDPV-MSOLQXFVSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000073112711 441294608 /nfs/dbraw/zinc/29/46/08/441294608.db2.gz CECOTIFNEORDPV-MSOLQXFVSA-N 2 1 336.524 1.347 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000081248174 441243706 /nfs/dbraw/zinc/24/37/06/441243706.db2.gz APVJBHHXPWAYME-MOPGFXCFSA-N 2 1 345.487 1.516 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000081248174 441243709 /nfs/dbraw/zinc/24/37/09/441243709.db2.gz APVJBHHXPWAYME-MOPGFXCFSA-N 2 1 345.487 1.516 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000081248174 441243711 /nfs/dbraw/zinc/24/37/11/441243711.db2.gz APVJBHHXPWAYME-MOPGFXCFSA-N 2 1 345.487 1.516 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000081248174 441243713 /nfs/dbraw/zinc/24/37/13/441243713.db2.gz APVJBHHXPWAYME-MOPGFXCFSA-N 2 1 345.487 1.516 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000081996877 441329433 /nfs/dbraw/zinc/32/94/33/441329433.db2.gz AKBYXGXNBFCXJJ-AEFFLSMTSA-N 2 1 337.508 1.866 20 0 EDADMP CN(CC[NH+](C)C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000083058668 441348243 /nfs/dbraw/zinc/34/82/43/441348243.db2.gz CXSZQYWZPBFTEW-MRXNPFEDSA-N 2 1 347.463 1.162 20 0 EDADMP CN(CC[NH+](C)C)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000083058668 441348246 /nfs/dbraw/zinc/34/82/46/441348246.db2.gz CXSZQYWZPBFTEW-MRXNPFEDSA-N 2 1 347.463 1.162 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000065104939 441403342 /nfs/dbraw/zinc/40/33/42/441403342.db2.gz MAYIIRMAONKAQC-IBGZPJMESA-N 2 1 344.503 1.648 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000074832676 441470313 /nfs/dbraw/zinc/47/03/13/441470313.db2.gz XGDJQIBZZGEALF-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000065542755 441456256 /nfs/dbraw/zinc/45/62/56/441456256.db2.gz WRGDTCMBFVFGRA-UHFFFAOYSA-N 2 1 336.480 1.386 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000065542755 441456257 /nfs/dbraw/zinc/45/62/57/441456257.db2.gz WRGDTCMBFVFGRA-UHFFFAOYSA-N 2 1 336.480 1.386 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000065542755 441456258 /nfs/dbraw/zinc/45/62/58/441456258.db2.gz WRGDTCMBFVFGRA-UHFFFAOYSA-N 2 1 336.480 1.386 20 0 EDADMP C[NH+](C)CC1(CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CCCC1 ZINC000458655264 447440525 /nfs/dbraw/zinc/44/05/25/447440525.db2.gz LLXROGIDIRZWGE-MRXNPFEDSA-N 2 1 340.512 1.254 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000108554391 441462936 /nfs/dbraw/zinc/46/29/36/441462936.db2.gz ZGBDSEMVNBWITI-KRWDZBQOSA-N 2 1 339.528 1.045 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000108554391 441462939 /nfs/dbraw/zinc/46/29/39/441462939.db2.gz ZGBDSEMVNBWITI-KRWDZBQOSA-N 2 1 339.528 1.045 20 0 EDADMP C[NH+]1CCN(CC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000111607062 441538219 /nfs/dbraw/zinc/53/82/19/441538219.db2.gz RQRAMKKZMRFXCP-GOSISDBHSA-N 2 1 336.524 1.348 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H](O)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076432668 441646712 /nfs/dbraw/zinc/64/67/12/441646712.db2.gz KGSYAKYWXNHGPA-GOSISDBHSA-N 2 1 331.460 1.355 20 0 EDADMP O=C(C[N@@H+]1CCC[C@@H](O)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076432668 441646714 /nfs/dbraw/zinc/64/67/14/441646714.db2.gz KGSYAKYWXNHGPA-GOSISDBHSA-N 2 1 331.460 1.355 20 0 EDADMP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)CN1CC[NH+](C)CC1 ZINC000114380006 441651545 /nfs/dbraw/zinc/65/15/45/441651545.db2.gz COTMECXPXRKCIR-MRXNPFEDSA-N 2 1 332.492 1.362 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)c2C1 ZINC000067558584 441652423 /nfs/dbraw/zinc/65/24/23/441652423.db2.gz CRMWJXAPSMUBDA-AWEZNQCLSA-N 2 1 346.475 1.807 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)c2C1 ZINC000067558584 441652428 /nfs/dbraw/zinc/65/24/28/441652428.db2.gz CRMWJXAPSMUBDA-AWEZNQCLSA-N 2 1 346.475 1.807 20 0 EDADMP CC[NH+]1CCN(C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)CC1 ZINC000115842545 441782672 /nfs/dbraw/zinc/78/26/72/441782672.db2.gz SVXFGJYCKPNSDE-OAHLLOKOSA-N 2 1 340.418 1.915 20 0 EDADMP C[C@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)[NH+]1CCCCCC1 ZINC000173642415 441811923 /nfs/dbraw/zinc/81/19/23/441811923.db2.gz LITNZQZAHRVPGT-QGZVFWFLSA-N 2 1 338.540 1.641 20 0 EDADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000173990354 441874589 /nfs/dbraw/zinc/87/45/89/441874589.db2.gz LVDOEACSTQQHNQ-QGZVFWFLSA-N 2 1 335.448 1.676 20 0 EDADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000173990354 441874592 /nfs/dbraw/zinc/87/45/92/441874592.db2.gz LVDOEACSTQQHNQ-QGZVFWFLSA-N 2 1 335.448 1.676 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2CC[NH+](C)CC2)CC1 ZINC000116454746 441823023 /nfs/dbraw/zinc/82/30/23/441823023.db2.gz KCZIJVQIVNPTMM-KRWDZBQOSA-N 2 1 344.503 1.576 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116549373 441829182 /nfs/dbraw/zinc/82/91/82/441829182.db2.gz MHAHFSZWTWBNHJ-JKSUJKDBSA-N 2 1 342.528 1.763 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174252244 441906611 /nfs/dbraw/zinc/90/66/11/441906611.db2.gz FRZKJZASWULDFR-IAGOWNOFSA-N 2 1 338.496 1.225 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)C[C@@H](C)C(=O)NC)CC1 ZINC000093899449 441899255 /nfs/dbraw/zinc/89/92/55/441899255.db2.gz AWGRNSSDDYHYFA-MRXNPFEDSA-N 2 1 332.492 1.642 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NCCN2CCOC(C)(C)C2)CC[N@H+]1C ZINC000174549095 441938129 /nfs/dbraw/zinc/93/81/29/441938129.db2.gz MTWCAAWIAJJOEU-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458672510 447446640 /nfs/dbraw/zinc/44/66/40/447446640.db2.gz YOUADRXUWLQYDT-IRXDYDNUSA-N 2 1 340.512 1.397 20 0 EDADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1)[NH+](C)C ZINC000152292063 442194071 /nfs/dbraw/zinc/19/40/71/442194071.db2.gz SPHWSBMEWVUPSV-YJBOKZPZSA-N 2 1 349.475 1.735 20 0 EDADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1)[NH+](C)C ZINC000152292063 442194075 /nfs/dbraw/zinc/19/40/75/442194075.db2.gz SPHWSBMEWVUPSV-YJBOKZPZSA-N 2 1 349.475 1.735 20 0 EDADMP CN(Cc1cccc(S(=O)(=O)N(C)C)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152424802 442210916 /nfs/dbraw/zinc/21/09/16/442210916.db2.gz MZRGNQJPHILYIX-INIZCTEOSA-N 2 1 339.505 1.711 20 0 EDADMP C[C@@H](CC(=O)NCC1CCN(CC[NH+](C)C)CC1)C1CC[NH2+]CC1 ZINC000165970945 442212843 /nfs/dbraw/zinc/21/28/43/442212843.db2.gz CSUNTLDFOPTVFB-INIZCTEOSA-N 2 1 338.540 1.402 20 0 EDADMP COCCC[N@H+](C)CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000166833773 442218239 /nfs/dbraw/zinc/21/82/39/442218239.db2.gz CYEGDSAAAALVHD-HKUYNNGSSA-N 2 1 334.508 1.850 20 0 EDADMP COCCC[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000166833773 442218241 /nfs/dbraw/zinc/21/82/41/442218241.db2.gz CYEGDSAAAALVHD-HKUYNNGSSA-N 2 1 334.508 1.850 20 0 EDADMP COCCC[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000166833773 442218242 /nfs/dbraw/zinc/21/82/42/442218242.db2.gz CYEGDSAAAALVHD-HKUYNNGSSA-N 2 1 334.508 1.850 20 0 EDADMP COCCC[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000166833773 442218244 /nfs/dbraw/zinc/21/82/44/442218244.db2.gz CYEGDSAAAALVHD-HKUYNNGSSA-N 2 1 334.508 1.850 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000170828109 442270461 /nfs/dbraw/zinc/27/04/61/442270461.db2.gz WIDODSRRBJCYEH-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP C[N@@H+](CC(=O)NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CCSC1 ZINC000154217936 442327742 /nfs/dbraw/zinc/32/77/42/442327742.db2.gz SXDXNPUUBPHJIW-GOSISDBHSA-N 2 1 347.528 1.988 20 0 EDADMP C[NH+](CC(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCSC1 ZINC000154217936 442327744 /nfs/dbraw/zinc/32/77/44/442327744.db2.gz SXDXNPUUBPHJIW-GOSISDBHSA-N 2 1 347.528 1.988 20 0 EDADMP C[NH+](CC(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCSC1 ZINC000154217936 442327746 /nfs/dbraw/zinc/32/77/46/442327746.db2.gz SXDXNPUUBPHJIW-GOSISDBHSA-N 2 1 347.528 1.988 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000171236795 442332080 /nfs/dbraw/zinc/33/20/80/442332080.db2.gz FMTAPSCLIWMXDU-WCXIOVBPSA-N 2 1 325.497 1.721 20 0 EDADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000154321619 442332728 /nfs/dbraw/zinc/33/27/28/442332728.db2.gz NQJLXYHMMTWASE-QGZVFWFLSA-N 2 1 325.884 1.817 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130730366 442354627 /nfs/dbraw/zinc/35/46/27/442354627.db2.gz KUBGWCSBNGHZRW-CQSZACIVSA-N 2 1 332.452 1.891 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130730366 442354629 /nfs/dbraw/zinc/35/46/29/442354629.db2.gz KUBGWCSBNGHZRW-CQSZACIVSA-N 2 1 332.452 1.891 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000130494509 442347609 /nfs/dbraw/zinc/34/76/09/442347609.db2.gz JDNUYZGQWRBZCV-BBWFWOEESA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000130494509 442347612 /nfs/dbraw/zinc/34/76/12/442347612.db2.gz JDNUYZGQWRBZCV-BBWFWOEESA-N 2 1 345.487 1.912 20 0 EDADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000171736192 442375890 /nfs/dbraw/zinc/37/58/90/442375890.db2.gz HBSIHGYANSWAHA-UHFFFAOYSA-N 2 1 334.464 1.443 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000178325152 442425123 /nfs/dbraw/zinc/42/51/23/442425123.db2.gz SJFOEKNHZBJCHX-OAHLLOKOSA-N 2 1 334.439 1.531 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000156005139 442442487 /nfs/dbraw/zinc/44/24/87/442442487.db2.gz NMDCDXRJPJJFHK-ROUUACIJSA-N 2 1 338.540 1.641 20 0 EDADMP C[C@@H]1CSCC[N@@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000172435764 442460585 /nfs/dbraw/zinc/46/05/85/442460585.db2.gz NIUZOFXJXBPRQT-CQSZACIVSA-N 2 1 339.530 1.830 20 0 EDADMP C[C@@H]1CSCC[N@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000172435764 442460589 /nfs/dbraw/zinc/46/05/89/442460589.db2.gz NIUZOFXJXBPRQT-CQSZACIVSA-N 2 1 339.530 1.830 20 0 EDADMP C[NH+](C)C1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000172797714 442543957 /nfs/dbraw/zinc/54/39/57/442543957.db2.gz NXXXSZPPGCUCFK-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+](C)C1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000172797714 442543961 /nfs/dbraw/zinc/54/39/61/442543961.db2.gz NXXXSZPPGCUCFK-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000178890279 442515800 /nfs/dbraw/zinc/51/58/00/442515800.db2.gz DYPNLVZHUQMYNC-IAGOWNOFSA-N 2 1 330.476 1.313 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000135198929 442567758 /nfs/dbraw/zinc/56/77/58/442567758.db2.gz KKBUMBNKOSDTCY-INIZCTEOSA-N 2 1 327.432 1.830 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000135198929 442567766 /nfs/dbraw/zinc/56/77/66/442567766.db2.gz KKBUMBNKOSDTCY-INIZCTEOSA-N 2 1 327.432 1.830 20 0 EDADMP C[C@H]1CCCCN1C(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136070162 442649371 /nfs/dbraw/zinc/64/93/71/442649371.db2.gz ZCYSJIDCBOAKEO-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@H]1CCCCN1C(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136070162 442649374 /nfs/dbraw/zinc/64/93/74/442649374.db2.gz ZCYSJIDCBOAKEO-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)C[NH+](C)C)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000173187314 442619642 /nfs/dbraw/zinc/61/96/42/442619642.db2.gz GCHUAIZOUNGMAI-INIZCTEOSA-N 2 1 332.448 1.353 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)C[NH+](C)C)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000173187314 442619646 /nfs/dbraw/zinc/61/96/46/442619646.db2.gz GCHUAIZOUNGMAI-INIZCTEOSA-N 2 1 332.448 1.353 20 0 EDADMP COC1(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCCC1 ZINC000187454228 442677967 /nfs/dbraw/zinc/67/79/67/442677967.db2.gz YVQILQNYGNCSMY-UHFFFAOYSA-N 2 1 333.480 1.667 20 0 EDADMP CC[NH+](CC)CCN1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000181365487 442692800 /nfs/dbraw/zinc/69/28/00/442692800.db2.gz UAJHLUWNLRQDQZ-GOSISDBHSA-N 2 1 326.529 1.055 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000182327652 442757811 /nfs/dbraw/zinc/75/78/11/442757811.db2.gz PYKXGBUDSJXVIO-IBGZPJMESA-N 2 1 345.487 1.220 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)C(C)C ZINC000193908788 442810345 /nfs/dbraw/zinc/81/03/45/442810345.db2.gz RNEXTDAWCSTAQT-UHFFFAOYSA-N 2 1 346.475 1.806 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)C(C)C ZINC000193908788 442810349 /nfs/dbraw/zinc/81/03/49/442810349.db2.gz RNEXTDAWCSTAQT-UHFFFAOYSA-N 2 1 346.475 1.806 20 0 EDADMP CCOC1CC(CC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000188780155 442810801 /nfs/dbraw/zinc/81/08/01/442810801.db2.gz UZBNRXAZSWZNFF-UHFFFAOYSA-N 2 1 333.480 1.523 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCCCC[NH+]3CCCC3)cc2C1 ZINC000193918985 442812221 /nfs/dbraw/zinc/81/22/21/442812221.db2.gz AWBOZTTYTPYLNP-UHFFFAOYSA-N 2 1 344.459 1.563 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCCCC[NH+]3CCCC3)cc2C1 ZINC000193918985 442812226 /nfs/dbraw/zinc/81/22/26/442812226.db2.gz AWBOZTTYTPYLNP-UHFFFAOYSA-N 2 1 344.459 1.563 20 0 EDADMP CC(C)COC[C@H](O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182910794 442846576 /nfs/dbraw/zinc/84/65/76/442846576.db2.gz PHLPTOMAPMJIKD-ZWKOTPCHSA-N 2 1 327.513 1.122 20 0 EDADMP CC(C)COC[C@H](O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182910794 442846577 /nfs/dbraw/zinc/84/65/77/442846577.db2.gz PHLPTOMAPMJIKD-ZWKOTPCHSA-N 2 1 327.513 1.122 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)C[NH+]1CCOCC1 ZINC000183036328 442868227 /nfs/dbraw/zinc/86/82/27/442868227.db2.gz UOMDKSPJQUFGIL-ULQDDVLXSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)C[NH+]1CCOCC1 ZINC000183036328 442868232 /nfs/dbraw/zinc/86/82/32/442868232.db2.gz UOMDKSPJQUFGIL-ULQDDVLXSA-N 2 1 338.496 1.080 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000268148628 442870251 /nfs/dbraw/zinc/87/02/51/442870251.db2.gz GLFGWFJYXZLCOB-CZUORRHYSA-N 2 1 342.447 1.667 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000189324230 442921151 /nfs/dbraw/zinc/92/11/51/442921151.db2.gz VQTJFXABDZXVQO-GBESFXJTSA-N 2 1 345.487 1.876 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000189324230 442921154 /nfs/dbraw/zinc/92/11/54/442921154.db2.gz VQTJFXABDZXVQO-GBESFXJTSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CCOCC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000248748975 442923772 /nfs/dbraw/zinc/92/37/72/442923772.db2.gz GBDOCMFXDRYICI-FDPKGLCPSA-N 2 1 328.497 1.470 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C(C)C)[C@@H](C)C1 ZINC000249488938 442977868 /nfs/dbraw/zinc/97/78/68/442977868.db2.gz UWUFQPBSRYQQFA-BBWFWOEESA-N 2 1 327.513 1.968 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C(C)C)[C@@H](C)C1 ZINC000249488938 442977872 /nfs/dbraw/zinc/97/78/72/442977872.db2.gz UWUFQPBSRYQQFA-BBWFWOEESA-N 2 1 327.513 1.968 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C[C@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000249564457 442988806 /nfs/dbraw/zinc/98/88/06/442988806.db2.gz MRARGKAXMKYRPG-JTDSTZFVSA-N 2 1 345.487 1.912 20 0 EDADMP CC[NH+]1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000265867880 442951377 /nfs/dbraw/zinc/95/13/77/442951377.db2.gz YFKXUOMDPGHUDE-GOSISDBHSA-N 2 1 331.460 1.442 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236663186 443143478 /nfs/dbraw/zinc/14/34/78/443143478.db2.gz INQADRXAPFPHLX-JJTUDDRGSA-N 2 1 325.497 1.706 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236663186 443143483 /nfs/dbraw/zinc/14/34/83/443143483.db2.gz INQADRXAPFPHLX-JJTUDDRGSA-N 2 1 325.497 1.706 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@](C)(O)C(C)C)CC2)C1 ZINC000185002609 443115825 /nfs/dbraw/zinc/11/58/25/443115825.db2.gz WTJKRBRKQJJDLE-MSOLQXFVSA-N 2 1 327.513 1.120 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000268823660 443119704 /nfs/dbraw/zinc/11/97/04/443119704.db2.gz OSJLSXJRHBVJEI-CRAIPNDOSA-N 2 1 331.460 1.589 20 0 EDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000268865578 443130187 /nfs/dbraw/zinc/13/01/87/443130187.db2.gz TWVOVGXMFNWICV-PBHICJAKSA-N 2 1 333.432 1.751 20 0 EDADMP COCCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261874463 443172576 /nfs/dbraw/zinc/17/25/76/443172576.db2.gz DLIGASFMGCAKBT-RCCFBDPRSA-N 2 1 334.460 1.959 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000237508392 443174268 /nfs/dbraw/zinc/17/42/68/443174268.db2.gz BMQFVKLUUWUSAT-OWCLPIDISA-N 2 1 327.538 1.956 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)c2)CCO1 ZINC000262432989 443194733 /nfs/dbraw/zinc/19/47/33/443194733.db2.gz RUHVIFHEASYMSL-FCEWJHQRSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)c2)CCO1 ZINC000262432989 443194735 /nfs/dbraw/zinc/19/47/35/443194735.db2.gz RUHVIFHEASYMSL-FCEWJHQRSA-N 2 1 345.487 1.912 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236808399 443149055 /nfs/dbraw/zinc/14/90/55/443149055.db2.gz INQADRXAPFPHLX-BPKGMFCQSA-N 2 1 325.497 1.706 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236808399 443149057 /nfs/dbraw/zinc/14/90/57/443149057.db2.gz INQADRXAPFPHLX-BPKGMFCQSA-N 2 1 325.497 1.706 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC2)cs1 ZINC000185157320 443149557 /nfs/dbraw/zinc/14/95/57/443149557.db2.gz ZKLPVZHNPBFZSD-USXIJHARSA-N 2 1 348.516 1.859 20 0 EDADMP CC[C@H](NC(=O)C[NH2+]C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237002341 443155516 /nfs/dbraw/zinc/15/55/16/443155516.db2.gz FFCUQKDYEIXSOV-ZWKOTPCHSA-N 2 1 331.460 1.534 20 0 EDADMP CC[C@H](NC(=O)C[NH2+]C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237002341 443155523 /nfs/dbraw/zinc/15/55/23/443155523.db2.gz FFCUQKDYEIXSOV-ZWKOTPCHSA-N 2 1 331.460 1.534 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000245484070 443231154 /nfs/dbraw/zinc/23/11/54/443231154.db2.gz GRVQRVSPRBVIBG-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000245484070 443231161 /nfs/dbraw/zinc/23/11/61/443231161.db2.gz GRVQRVSPRBVIBG-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000245484070 443231164 /nfs/dbraw/zinc/23/11/64/443231164.db2.gz GRVQRVSPRBVIBG-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000245484070 443231170 /nfs/dbraw/zinc/23/11/70/443231170.db2.gz GRVQRVSPRBVIBG-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000266780044 443238786 /nfs/dbraw/zinc/23/87/86/443238786.db2.gz SPQWCUGSTPNDTB-KRWDZBQOSA-N 2 1 331.460 1.224 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000262660738 443206592 /nfs/dbraw/zinc/20/65/92/443206592.db2.gz XQMNZRJQCWRYCA-IXDOHACOSA-N 2 1 325.497 1.485 20 0 EDADMP C[C@@H](CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000262684192 443208420 /nfs/dbraw/zinc/20/84/20/443208420.db2.gz ZPDHDCAFHLTMNT-NXOAAHMSSA-N 2 1 325.497 1.628 20 0 EDADMP CCOC(=O)CN(C)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738745 443247962 /nfs/dbraw/zinc/24/79/62/443247962.db2.gz VBRZTHCJKDIJNX-HUUCEWRRSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)CN(C)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738745 443247964 /nfs/dbraw/zinc/24/79/64/443247964.db2.gz VBRZTHCJKDIJNX-HUUCEWRRSA-N 2 1 339.480 1.251 20 0 EDADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n(C)n1 ZINC000185735352 443247174 /nfs/dbraw/zinc/24/71/74/443247174.db2.gz ZGOCOWKHHBWEDA-CABCVRRESA-N 2 1 333.480 1.910 20 0 EDADMP Cc1cc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n(C)n1 ZINC000185735352 443247179 /nfs/dbraw/zinc/24/71/79/443247179.db2.gz ZGOCOWKHHBWEDA-CABCVRRESA-N 2 1 333.480 1.910 20 0 EDADMP COC[C@]1(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000382743944 319125087 /nfs/dbraw/zinc/12/50/87/319125087.db2.gz QAKGDBDHYPFQDQ-QUCCMNQESA-N 2 1 345.487 1.593 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)COC1CC[NH2+]CC1 ZINC000382752248 319125115 /nfs/dbraw/zinc/12/51/15/319125115.db2.gz CSMHBHTXFIEARZ-KRWDZBQOSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1([NH3+])CCCCC1 ZINC000269260013 443255105 /nfs/dbraw/zinc/25/51/05/443255105.db2.gz LXTZOBFMCUGLGI-INIZCTEOSA-N 2 1 345.491 1.370 20 0 EDADMP C[C@H]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000269261933 443255657 /nfs/dbraw/zinc/25/56/57/443255657.db2.gz MXGBCAFRAKQRQD-WMZOPIPTSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000414670660 319338921 /nfs/dbraw/zinc/33/89/21/319338921.db2.gz DNTKHCJDISMUGE-MOPGFXCFSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414686993 319342251 /nfs/dbraw/zinc/34/22/51/319342251.db2.gz GVJSSJRCLOFTHQ-HNNXBMFYSA-N 2 1 346.475 1.855 20 0 EDADMP C[C@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCN1Cc1ccccc1 ZINC000415127714 319346843 /nfs/dbraw/zinc/34/68/43/319346843.db2.gz SGNJQERQGOTBBN-HKUYNNGSSA-N 2 1 344.503 1.390 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[NH+](C)C ZINC000416850822 319466696 /nfs/dbraw/zinc/46/66/96/319466696.db2.gz QLKOTFFUBPKOSU-YCPHGPKFSA-N 2 1 334.464 1.690 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000416934401 319478269 /nfs/dbraw/zinc/47/82/69/319478269.db2.gz DLZIUTCMNVTBOZ-ZWKOTPCHSA-N 2 1 348.491 1.733 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C)C[NH2+]1 ZINC000272588549 443373860 /nfs/dbraw/zinc/37/38/60/443373860.db2.gz RMBNJHBRDJFGSA-JFIYKMOQSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C)C[NH2+]1 ZINC000272588549 443373864 /nfs/dbraw/zinc/37/38/64/443373864.db2.gz RMBNJHBRDJFGSA-JFIYKMOQSA-N 2 1 331.460 1.486 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21)Cc1ccc(F)cc1 ZINC000272619906 443385558 /nfs/dbraw/zinc/38/55/58/443385558.db2.gz UJHYZTAFUOMSAL-WMZOPIPTSA-N 2 1 348.466 1.993 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)Cc1ccc(F)cc1 ZINC000272619906 443385560 /nfs/dbraw/zinc/38/55/60/443385560.db2.gz UJHYZTAFUOMSAL-WMZOPIPTSA-N 2 1 348.466 1.993 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)Cc1ccc(F)cc1 ZINC000272619906 443385563 /nfs/dbraw/zinc/38/55/63/443385563.db2.gz UJHYZTAFUOMSAL-WMZOPIPTSA-N 2 1 348.466 1.993 20 0 EDADMP c1cc(N2CC[NH+](CCCNc3nnc(C4CC4)o3)CC2)cc[nH+]1 ZINC000278527988 443354333 /nfs/dbraw/zinc/35/43/33/443354333.db2.gz ZSAKYOCXMCOEPH-UHFFFAOYSA-N 2 1 328.420 1.966 20 0 EDADMP C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000269590724 443358489 /nfs/dbraw/zinc/35/84/89/443358489.db2.gz MRWRLIOIQSYFLL-SJLPKXTDSA-N 2 1 333.476 1.470 20 0 EDADMP CCc1ccc([C@@H]2C[N@@H+](CCC(=O)N3CCN(C)CC3)CCO2)cc1 ZINC000282513812 443360810 /nfs/dbraw/zinc/36/08/10/443360810.db2.gz OUEOCKBVLCBPAZ-IBGZPJMESA-N 2 1 345.487 1.786 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000264759631 443411601 /nfs/dbraw/zinc/41/16/01/443411601.db2.gz SVHUXIQTEYKJJQ-INIZCTEOSA-N 2 1 336.480 1.384 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000264759631 443411605 /nfs/dbraw/zinc/41/16/05/443411605.db2.gz SVHUXIQTEYKJJQ-INIZCTEOSA-N 2 1 336.480 1.384 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000264759631 443411608 /nfs/dbraw/zinc/41/16/08/443411608.db2.gz SVHUXIQTEYKJJQ-INIZCTEOSA-N 2 1 336.480 1.384 20 0 EDADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000264777343 443419745 /nfs/dbraw/zinc/41/97/45/443419745.db2.gz BESAUAYUQDIYRV-UHFFFAOYSA-N 2 1 336.455 1.993 20 0 EDADMP [NH3+][C@H]1C[C@@H]([NH2+]CCN2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000422696222 319732157 /nfs/dbraw/zinc/73/21/57/319732157.db2.gz RALDVAJUSZQKRK-ZWKOTPCHSA-N 2 1 338.459 1.333 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1=CC[NH+](C)CC1 ZINC000273029576 443522878 /nfs/dbraw/zinc/52/28/78/443522878.db2.gz UTRWBYJZMIACOZ-APWZRJJASA-N 2 1 343.471 1.654 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1=CC[NH+](C)CC1 ZINC000273029576 443522882 /nfs/dbraw/zinc/52/28/82/443522882.db2.gz UTRWBYJZMIACOZ-APWZRJJASA-N 2 1 343.471 1.654 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1=CC[N@H+](C)CC1 ZINC000273029576 443522885 /nfs/dbraw/zinc/52/28/85/443522885.db2.gz UTRWBYJZMIACOZ-APWZRJJASA-N 2 1 343.471 1.654 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1=CC[N@@H+](C)CC1 ZINC000273029576 443522888 /nfs/dbraw/zinc/52/28/88/443522888.db2.gz UTRWBYJZMIACOZ-APWZRJJASA-N 2 1 343.471 1.654 20 0 EDADMP C[N@@H+](CCO)C1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000272255590 443570233 /nfs/dbraw/zinc/57/02/33/443570233.db2.gz ALMNCLUGOXQALT-UHFFFAOYSA-N 2 1 345.487 1.811 20 0 EDADMP CC[C@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[NH+](CC)CC ZINC000273141697 443549445 /nfs/dbraw/zinc/54/94/45/443549445.db2.gz UPVAOOZMVRPBRF-RTBURBONSA-N 2 1 347.503 1.990 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1CC=CCC1)c1cccc(F)c1 ZINC000279526554 443601171 /nfs/dbraw/zinc/60/11/71/443601171.db2.gz BQIXQGUFRUXOSM-KRWDZBQOSA-N 2 1 334.439 1.990 20 0 EDADMP Cc1nc2ccccc2nc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436068102 320018698 /nfs/dbraw/zinc/01/86/98/320018698.db2.gz VLITZWMMSOMJNF-OAHLLOKOSA-N 2 1 341.459 1.758 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCSC1 ZINC000440261608 320067002 /nfs/dbraw/zinc/06/70/02/320067002.db2.gz UIHIEJZICPFEQI-WBVHZDCISA-N 2 1 325.522 1.947 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000286195321 443665618 /nfs/dbraw/zinc/66/56/18/443665618.db2.gz RYDBDCZSPYYONX-JOCBIADPSA-N 2 1 331.460 1.390 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000286195321 443665623 /nfs/dbraw/zinc/66/56/23/443665623.db2.gz RYDBDCZSPYYONX-JOCBIADPSA-N 2 1 331.460 1.390 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440809127 320080937 /nfs/dbraw/zinc/08/09/37/320080937.db2.gz RUBCAHMIUPKOOT-UHFFFAOYSA-N 2 1 333.402 1.792 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000447931853 320147628 /nfs/dbraw/zinc/14/76/28/320147628.db2.gz QJUVKYIXYRIFDK-MRXNPFEDSA-N 2 1 341.459 1.549 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000447931853 320147629 /nfs/dbraw/zinc/14/76/29/320147629.db2.gz QJUVKYIXYRIFDK-MRXNPFEDSA-N 2 1 341.459 1.549 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)C[NH+]1CCOCC1 ZINC000447950841 320149842 /nfs/dbraw/zinc/14/98/42/320149842.db2.gz BYXOEAAEZDSASU-HZPDHXFCSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)C[NH+]1CCOCC1 ZINC000447950841 320149844 /nfs/dbraw/zinc/14/98/44/320149844.db2.gz BYXOEAAEZDSASU-HZPDHXFCSA-N 2 1 340.512 1.374 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449740216 320203174 /nfs/dbraw/zinc/20/31/74/320203174.db2.gz FAXMTFGAGPSMDJ-NUJGCVRESA-N 2 1 331.435 1.858 20 0 EDADMP COc1cccc(CN(CC[NH+](C)C)C(=O)Cn2cc[nH+]c2C)c1 ZINC000457765107 320335399 /nfs/dbraw/zinc/33/53/99/320335399.db2.gz NBJAATDPXVJIGM-UHFFFAOYSA-N 2 1 330.432 1.791 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000458607946 320338338 /nfs/dbraw/zinc/33/83/38/320338338.db2.gz XYWUQVVNTIXLID-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458698204 320338793 /nfs/dbraw/zinc/33/87/93/320338793.db2.gz AGUHSFAPHXNPMC-NVXWUHKLSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458698204 320338794 /nfs/dbraw/zinc/33/87/94/320338794.db2.gz AGUHSFAPHXNPMC-NVXWUHKLSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458698204 320338795 /nfs/dbraw/zinc/33/87/95/320338795.db2.gz AGUHSFAPHXNPMC-NVXWUHKLSA-N 2 1 338.496 1.149 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000459247393 320344961 /nfs/dbraw/zinc/34/49/61/320344961.db2.gz CRFGXJNJVOQLEZ-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]CCCCN2CC[NH+](CC)CC2)[C@@H]1SC ZINC000459381231 320347912 /nfs/dbraw/zinc/34/79/12/320347912.db2.gz USUKYTOZFPOZTB-BBWFWOEESA-N 2 1 329.554 1.903 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000461348610 320352441 /nfs/dbraw/zinc/35/24/41/320352441.db2.gz BCPRMLXYKBOWPP-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000461348610 320352442 /nfs/dbraw/zinc/35/24/42/320352442.db2.gz BCPRMLXYKBOWPP-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH+](C)Cc1cc(CNC(=O)NCC[N@@H+]2CC=CCC2)ccc1F ZINC000280248652 443683184 /nfs/dbraw/zinc/68/31/84/443683184.db2.gz KNQFMHCOCSKSFQ-UHFFFAOYSA-N 2 1 334.439 1.948 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(C(N)=O)=NO2)CC[N@@H+]1Cc1ccccc1 ZINC000276536130 443738602 /nfs/dbraw/zinc/73/86/02/443738602.db2.gz WYTCYYVRZPBYGO-BMFZPTHFSA-N 2 1 330.432 1.259 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(C(N)=O)=NO2)CC[N@H+]1Cc1ccccc1 ZINC000276536130 443738606 /nfs/dbraw/zinc/73/86/06/443738606.db2.gz WYTCYYVRZPBYGO-BMFZPTHFSA-N 2 1 330.432 1.259 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)CCCO)CC1 ZINC000281532096 443937535 /nfs/dbraw/zinc/93/75/35/443937535.db2.gz COTASAMDXINMSP-UHFFFAOYSA-N 2 1 333.476 1.344 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)CCCO)CC1 ZINC000281532096 443937541 /nfs/dbraw/zinc/93/75/41/443937541.db2.gz COTASAMDXINMSP-UHFFFAOYSA-N 2 1 333.476 1.344 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)CCCO)CC1 ZINC000281532096 443937547 /nfs/dbraw/zinc/93/75/47/443937547.db2.gz COTASAMDXINMSP-UHFFFAOYSA-N 2 1 333.476 1.344 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)CCCO)CC1 ZINC000281532096 443937552 /nfs/dbraw/zinc/93/75/52/443937552.db2.gz COTASAMDXINMSP-UHFFFAOYSA-N 2 1 333.476 1.344 20 0 EDADMP COC1(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCOCC1 ZINC000277102739 443913419 /nfs/dbraw/zinc/91/34/19/443913419.db2.gz WNGAHSRVGROJQB-UHFFFAOYSA-N 2 1 334.460 1.804 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[NH+]4CCCC[C@H]34)cc2C1 ZINC000299101748 443955030 /nfs/dbraw/zinc/95/50/30/443955030.db2.gz SYCIJCTUFBEANB-DLBZAZTESA-N 2 1 342.443 1.314 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[NH+]4CCCC[C@H]34)cc2C1 ZINC000299101748 443955033 /nfs/dbraw/zinc/95/50/33/443955033.db2.gz SYCIJCTUFBEANB-DLBZAZTESA-N 2 1 342.443 1.314 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2C1 ZINC000299101748 443955035 /nfs/dbraw/zinc/95/50/35/443955035.db2.gz SYCIJCTUFBEANB-DLBZAZTESA-N 2 1 342.443 1.314 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)cc2C1 ZINC000299101748 443955037 /nfs/dbraw/zinc/95/50/37/443955037.db2.gz SYCIJCTUFBEANB-DLBZAZTESA-N 2 1 342.443 1.314 20 0 EDADMP C[N@@H+](CCn1cccn1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285597501 444041903 /nfs/dbraw/zinc/04/19/03/444041903.db2.gz YASWZABBPLGHKV-UHFFFAOYSA-N 2 1 327.476 1.633 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NCC(=O)OC ZINC000560407519 321026776 /nfs/dbraw/zinc/02/67/76/321026776.db2.gz YFLAKHQQEFQCFO-ILXRZTDVSA-N 2 1 327.469 1.154 20 0 EDADMP CC1CC[NH+](CCNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000561125607 321034046 /nfs/dbraw/zinc/03/40/46/321034046.db2.gz LMIBHPXUZWIHQK-QGZVFWFLSA-N 2 1 331.464 1.469 20 0 EDADMP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000562365075 321053870 /nfs/dbraw/zinc/05/38/70/321053870.db2.gz HCSGEVPKPOXMSX-DLBZAZTESA-N 2 1 331.460 1.400 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)C2 ZINC000563137849 321098055 /nfs/dbraw/zinc/09/80/55/321098055.db2.gz JRZVAIRKPOWNMN-IRXDYDNUSA-N 2 1 329.444 1.234 20 0 EDADMP C[N@@H+](C[C@H](O)CNCc1ccccc1C[NH+]1CCC[C@H]1CO)C1CC1 ZINC000563139087 321098149 /nfs/dbraw/zinc/09/81/49/321098149.db2.gz VJCBLBSEDRTKLQ-VQTJNVASSA-N 2 1 347.503 1.188 20 0 EDADMP C[NH+](C[C@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000563139087 321098151 /nfs/dbraw/zinc/09/81/51/321098151.db2.gz VJCBLBSEDRTKLQ-VQTJNVASSA-N 2 1 347.503 1.188 20 0 EDADMP C[NH+](C[C@H](O)CNCc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000563139087 321098152 /nfs/dbraw/zinc/09/81/52/321098152.db2.gz VJCBLBSEDRTKLQ-VQTJNVASSA-N 2 1 347.503 1.188 20 0 EDADMP CN(C[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000563139087 321098154 /nfs/dbraw/zinc/09/81/54/321098154.db2.gz VJCBLBSEDRTKLQ-VQTJNVASSA-N 2 1 347.503 1.188 20 0 EDADMP CN(C[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000563139087 321098156 /nfs/dbraw/zinc/09/81/56/321098156.db2.gz VJCBLBSEDRTKLQ-VQTJNVASSA-N 2 1 347.503 1.188 20 0 EDADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000563395798 321108344 /nfs/dbraw/zinc/10/83/44/321108344.db2.gz CEOCXWQCIITPHH-BEFAXECRSA-N 2 1 335.492 1.214 20 0 EDADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000564973871 321162301 /nfs/dbraw/zinc/16/23/01/321162301.db2.gz AEIDDAOQIUPZBR-GJZGRUSLSA-N 2 1 332.366 1.656 20 0 EDADMP COc1ccccc1[C@H](N)C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000564992704 321163514 /nfs/dbraw/zinc/16/35/14/321163514.db2.gz ISBFJOSYGNHNBY-JMLCCBQJSA-N 2 1 346.475 1.028 20 0 EDADMP Cc1cc(CNC(=O)NC[C@H]2C[NH2+]CCCO2)cc(N2CCCC2)[nH+]1 ZINC000568609743 321299051 /nfs/dbraw/zinc/29/90/51/321299051.db2.gz KPIPZEXTKQQDDG-MRXNPFEDSA-N 2 1 347.463 1.168 20 0 EDADMP COC(=O)c1ccc(F)c(C[N@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000289357482 444117261 /nfs/dbraw/zinc/11/72/61/444117261.db2.gz GWTQJQKZNJQUJL-UHFFFAOYSA-N 2 1 339.455 1.928 20 0 EDADMP COC(=O)c1ccc(F)c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000289357482 444117263 /nfs/dbraw/zinc/11/72/63/444117263.db2.gz GWTQJQKZNJQUJL-UHFFFAOYSA-N 2 1 339.455 1.928 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000570716105 321355320 /nfs/dbraw/zinc/35/53/20/321355320.db2.gz ZLZZHIPNTVTMQJ-GOSISDBHSA-N 2 1 332.492 1.563 20 0 EDADMP c1cn(CC[NH+]2CCCC3(CCC[N@H+](CCn4ccnc4)C3)C2)cn1 ZINC000289486002 444156466 /nfs/dbraw/zinc/15/64/66/444156466.db2.gz OPTHPZIAPYSJLQ-UHFFFAOYSA-N 2 1 342.491 1.958 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000289562577 444172828 /nfs/dbraw/zinc/17/28/28/444172828.db2.gz CTTRRBBYNZCILB-UGSOOPFHSA-N 2 1 349.500 1.785 20 0 EDADMP CCOC(=O)c1cnc2ccccc2c1N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000301682436 444185035 /nfs/dbraw/zinc/18/50/35/444185035.db2.gz VSKBDGBJBUGZCE-IRXDYDNUSA-N 2 1 341.411 1.931 20 0 EDADMP CCOC(=O)c1cnc2ccccc2c1N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000301682436 444185038 /nfs/dbraw/zinc/18/50/38/444185038.db2.gz VSKBDGBJBUGZCE-IRXDYDNUSA-N 2 1 341.411 1.931 20 0 EDADMP NC(=O)c1c[nH+]ccc1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000302041253 444201516 /nfs/dbraw/zinc/20/15/16/444201516.db2.gz RNEJSDJDIBNZAF-HNNXBMFYSA-N 2 1 326.400 1.012 20 0 EDADMP NC(=O)c1c[nH+]ccc1NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000302041253 444201518 /nfs/dbraw/zinc/20/15/18/444201518.db2.gz RNEJSDJDIBNZAF-HNNXBMFYSA-N 2 1 326.400 1.012 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)cn1 ZINC000290253004 444259361 /nfs/dbraw/zinc/25/93/61/444259361.db2.gz UJHJPHBSLWIKKP-WBVHZDCISA-N 2 1 327.432 1.826 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCCO1 ZINC000296909288 444262580 /nfs/dbraw/zinc/26/25/80/444262580.db2.gz WDPQBNUTOYNUTI-OAHLLOKOSA-N 2 1 343.431 1.498 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCCO1 ZINC000296909288 444262583 /nfs/dbraw/zinc/26/25/83/444262583.db2.gz WDPQBNUTOYNUTI-OAHLLOKOSA-N 2 1 343.431 1.498 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290311911 444265939 /nfs/dbraw/zinc/26/59/39/444265939.db2.gz FZILAYLXUGWSCA-GBESFXJTSA-N 2 1 343.471 1.345 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290311911 444265941 /nfs/dbraw/zinc/26/59/41/444265941.db2.gz FZILAYLXUGWSCA-GBESFXJTSA-N 2 1 343.471 1.345 20 0 EDADMP CC[N@@H+](CC(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000305680441 444272492 /nfs/dbraw/zinc/27/24/92/444272492.db2.gz MQGANNYXORTSPT-HKUYNNGSSA-N 2 1 345.487 1.470 20 0 EDADMP CC[NH+](CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000305680441 444272494 /nfs/dbraw/zinc/27/24/94/444272494.db2.gz MQGANNYXORTSPT-HKUYNNGSSA-N 2 1 345.487 1.470 20 0 EDADMP CC[NH+](CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000305680441 444272496 /nfs/dbraw/zinc/27/24/96/444272496.db2.gz MQGANNYXORTSPT-HKUYNNGSSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000303242565 444235457 /nfs/dbraw/zinc/23/54/57/444235457.db2.gz CEQZKSUDJDRNPC-HZPDHXFCSA-N 2 1 339.524 1.848 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000316213358 444309526 /nfs/dbraw/zinc/30/95/26/444309526.db2.gz SSFRMWYISUNJHB-OWCLPIDISA-N 2 1 329.510 1.122 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC000297654465 444314490 /nfs/dbraw/zinc/31/44/90/444314490.db2.gz VVNDINCTRIYARX-RDJZCZTQSA-N 2 1 327.432 1.960 20 0 EDADMP C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309812171 444290207 /nfs/dbraw/zinc/29/02/07/444290207.db2.gz WTQGUEIYIDHYHU-NWANDNLSSA-N 2 1 325.403 1.996 20 0 EDADMP COC[C@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000310851132 444293141 /nfs/dbraw/zinc/29/31/41/444293141.db2.gz OLABSKSGTLRVBE-QUCCMNQESA-N 2 1 345.487 1.641 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@H]1CCSC1)c1cccs1 ZINC000339979042 444347808 /nfs/dbraw/zinc/34/78/08/444347808.db2.gz UDJSVRMPEAUBDX-QWHCGFSZSA-N 2 1 327.519 1.904 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000578489273 321781799 /nfs/dbraw/zinc/78/17/99/321781799.db2.gz PFVAKOOCODYUPS-USXIJHARSA-N 2 1 338.496 1.399 20 0 EDADMP COCCOC[C@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000578641237 321808316 /nfs/dbraw/zinc/80/83/16/321808316.db2.gz SAYMVJYRESAGMF-QFBILLFUSA-N 2 1 336.476 1.826 20 0 EDADMP CC[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000337812837 444419526 /nfs/dbraw/zinc/41/95/26/444419526.db2.gz MJPHEMOISLMTMY-RBUKOAKNSA-N 2 1 345.487 1.693 20 0 EDADMP CN(CCCn1ccnc1)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000298005175 444384644 /nfs/dbraw/zinc/38/46/44/444384644.db2.gz KLUMREVWRTVYBX-MRXNPFEDSA-N 2 1 349.479 1.064 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCN2C(=O)NC3(CCCC3)C2=O)[C@H]2CCC[C@H]21 ZINC000580341005 322039914 /nfs/dbraw/zinc/03/99/14/322039914.db2.gz JGJHSVKYNALCJA-QLFBSQMISA-N 2 1 334.464 1.313 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@H]3CCOC3)CC2)CC1 ZINC000580344700 322040143 /nfs/dbraw/zinc/04/01/43/322040143.db2.gz QBJQDGIYCFFBND-INIZCTEOSA-N 2 1 337.508 1.726 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CCC(=O)Nc1ccccc1 ZINC000580543669 322063768 /nfs/dbraw/zinc/06/37/68/322063768.db2.gz NHVHPHBMVMQVLF-KRWDZBQOSA-N 2 1 346.475 1.548 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CCC(=O)Nc1ccccc1 ZINC000580543669 322063770 /nfs/dbraw/zinc/06/37/70/322063770.db2.gz NHVHPHBMVMQVLF-KRWDZBQOSA-N 2 1 346.475 1.548 20 0 EDADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000580828743 322100325 /nfs/dbraw/zinc/10/03/25/322100325.db2.gz KBBMGSXBQNRKIS-KBAYOESNSA-N 2 1 333.476 1.328 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2cn3c(n2)CCCC3)C1 ZINC000332831837 444568048 /nfs/dbraw/zinc/56/80/48/444568048.db2.gz FJQRBXLBXDCABW-ZBFHGGJFSA-N 2 1 331.464 1.845 20 0 EDADMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000333021012 444631159 /nfs/dbraw/zinc/63/11/59/444631159.db2.gz AAEJYNIEHDEDBJ-IRXDYDNUSA-N 2 1 338.496 1.101 20 0 EDADMP CCCn1ccnc1CCC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338358177 444654155 /nfs/dbraw/zinc/65/41/55/444654155.db2.gz VZNOFRXBARHPFM-UHFFFAOYSA-N 2 1 335.496 1.322 20 0 EDADMP CCCn1ccnc1CCC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338358177 444654160 /nfs/dbraw/zinc/65/41/60/444654160.db2.gz VZNOFRXBARHPFM-UHFFFAOYSA-N 2 1 335.496 1.322 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000329639967 444660740 /nfs/dbraw/zinc/66/07/40/444660740.db2.gz WVAPHUIFGCZXFS-PBHICJAKSA-N 2 1 337.489 1.656 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000333410135 444665420 /nfs/dbraw/zinc/66/54/20/444665420.db2.gz RCCZJYFAXSQDBV-JONQDZQNSA-N 2 1 338.496 1.410 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000333903726 444713672 /nfs/dbraw/zinc/71/36/72/444713672.db2.gz CBDUPRQAIGSTLF-YDZRNGNQSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+](C)C[C@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CCO1 ZINC000342490651 444714078 /nfs/dbraw/zinc/71/40/78/444714078.db2.gz BKNONFXHUXZTLS-HOTGVXAUSA-N 2 1 339.867 1.732 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000344061033 444757629 /nfs/dbraw/zinc/75/76/29/444757629.db2.gz IHSIPMHTLKGNDF-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP Cc1ccc(C)c(OCCC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000336877012 444822815 /nfs/dbraw/zinc/82/28/15/444822815.db2.gz LQVBEVLOWYPQEE-QGZVFWFLSA-N 2 1 333.476 1.859 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H]1CCCN(C(C)C)C1=O ZINC000344190911 444831680 /nfs/dbraw/zinc/83/16/80/444831680.db2.gz XSJXMQSJQMKXRG-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000330095986 444841939 /nfs/dbraw/zinc/84/19/39/444841939.db2.gz WOFLFCCVENKUGI-HNNXBMFYSA-N 2 1 344.463 1.779 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000344188536 444829292 /nfs/dbraw/zinc/82/92/92/444829292.db2.gz FZKXRUIKAZGIGN-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000344188536 444829297 /nfs/dbraw/zinc/82/92/97/444829297.db2.gz FZKXRUIKAZGIGN-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000344188536 444829300 /nfs/dbraw/zinc/82/93/00/444829300.db2.gz FZKXRUIKAZGIGN-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCN([C@H](C)CNc2cc[nH+]cc2Br)CC1 ZINC000341550854 444888844 /nfs/dbraw/zinc/88/88/44/444888844.db2.gz QSXNRMORLOGACK-GFCCVEGCSA-N 2 1 327.270 1.704 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC000344302102 444889312 /nfs/dbraw/zinc/88/93/12/444889312.db2.gz UNFCWPBNPMABQB-GDBMZVCRSA-N 2 1 347.463 1.405 20 0 EDADMP COCC[N@H+](C)CC[C@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)c1ccccc1 ZINC000344439304 444972050 /nfs/dbraw/zinc/97/20/50/444972050.db2.gz KBOLWCGPHGSOMM-NJAFHUGGSA-N 2 1 349.475 1.189 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)c1ccccc1 ZINC000344439304 444972051 /nfs/dbraw/zinc/97/20/51/444972051.db2.gz KBOLWCGPHGSOMM-NJAFHUGGSA-N 2 1 349.475 1.189 20 0 EDADMP CS[C@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@@H]1N(C)C ZINC000337318963 445030720 /nfs/dbraw/zinc/03/07/20/445030720.db2.gz NJIMMOMJFQMAEF-IRXDYDNUSA-N 2 1 328.570 1.380 20 0 EDADMP CS[C@H]1CN(CCCN2CC[NH+](C(C)C)CC2)C[C@@H]1[NH+](C)C ZINC000337318963 445030725 /nfs/dbraw/zinc/03/07/25/445030725.db2.gz NJIMMOMJFQMAEF-IRXDYDNUSA-N 2 1 328.570 1.380 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)CN1CCOCC1 ZINC000342981849 444987923 /nfs/dbraw/zinc/98/79/23/444987923.db2.gz ULTGKCLZILMCJZ-IAGOWNOFSA-N 2 1 340.512 1.661 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCO[C@H](C(C)(C)C)C3)cn2)CC1 ZINC000343122328 445080532 /nfs/dbraw/zinc/08/05/32/445080532.db2.gz VNTUGGBGFXNHNY-SJORKVTESA-N 2 1 347.507 1.912 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343150506 445099436 /nfs/dbraw/zinc/09/94/36/445099436.db2.gz KJPDTUIEIJHNLD-BBWFWOEESA-N 2 1 336.524 1.249 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343150506 445099439 /nfs/dbraw/zinc/09/94/39/445099439.db2.gz KJPDTUIEIJHNLD-BBWFWOEESA-N 2 1 336.524 1.249 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343150506 445099441 /nfs/dbraw/zinc/09/94/41/445099441.db2.gz KJPDTUIEIJHNLD-BBWFWOEESA-N 2 1 336.524 1.249 20 0 EDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000339243704 445109232 /nfs/dbraw/zinc/10/92/32/445109232.db2.gz MHIVHMXYXJVKJK-OLZOCXBDSA-N 2 1 327.266 1.819 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000343176314 445117369 /nfs/dbraw/zinc/11/73/69/445117369.db2.gz ZXDVNLROUKYPBH-HZPDHXFCSA-N 2 1 340.512 1.023 20 0 EDADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000343254289 445163039 /nfs/dbraw/zinc/16/30/39/445163039.db2.gz AZSODNQGOYMQIQ-OWYHZJEWSA-N 2 1 334.460 1.481 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000345325676 445181202 /nfs/dbraw/zinc/18/12/02/445181202.db2.gz SVMASXPIKFQFIX-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC000337650595 445187652 /nfs/dbraw/zinc/18/76/52/445187652.db2.gz KZKOUKLMVIEEPU-INIZCTEOSA-N 2 1 328.501 1.326 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000339560584 445150557 /nfs/dbraw/zinc/15/05/57/445150557.db2.gz DJFIYHRYSXKSSQ-QGZVFWFLSA-N 2 1 340.512 1.326 20 0 EDADMP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000345016235 445156780 /nfs/dbraw/zinc/15/67/80/445156780.db2.gz JTFRGFVLGIRCHA-GDBMZVCRSA-N 2 1 348.410 2.373 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCCO1 ZINC000346473244 445215926 /nfs/dbraw/zinc/21/59/26/445215926.db2.gz AQQQRFDGQKEUJI-QAPCUYQASA-N 2 1 331.460 1.731 20 0 EDADMP COC(=O)[C@@H]1CC[NH+](C[C@@H](C)C[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000347005150 445229241 /nfs/dbraw/zinc/22/92/41/445229241.db2.gz BFISKCKFIVGJHU-HCAJQNDMSA-N 2 1 340.464 1.389 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](C)C[NH+]2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000347005150 445229242 /nfs/dbraw/zinc/22/92/42/445229242.db2.gz BFISKCKFIVGJHU-HCAJQNDMSA-N 2 1 340.464 1.389 20 0 EDADMP COC(=O)[C@@H]1CC[N@H+](C[C@@H](C)C[NH+]2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000347005150 445229243 /nfs/dbraw/zinc/22/92/43/445229243.db2.gz BFISKCKFIVGJHU-HCAJQNDMSA-N 2 1 340.464 1.389 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CCC[N@@H+](C)CC3)CC2)[nH+]1 ZINC000343574243 445246651 /nfs/dbraw/zinc/24/66/51/445246651.db2.gz WBTKETZKIZETAG-UHFFFAOYSA-N 2 1 331.464 1.706 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CCC[N@H+](C)CC3)CC2)[nH+]1 ZINC000343574243 445246655 /nfs/dbraw/zinc/24/66/55/445246655.db2.gz WBTKETZKIZETAG-UHFFFAOYSA-N 2 1 331.464 1.706 20 0 EDADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000348376122 445270245 /nfs/dbraw/zinc/27/02/45/445270245.db2.gz JHZWHRKMDIEGSZ-HZPDHXFCSA-N 2 1 346.537 1.416 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)CC[C@@H]3CCCC[NH+]3C)CC2)CCO1 ZINC000351706390 445283302 /nfs/dbraw/zinc/28/33/02/445283302.db2.gz IOZOGNWOVLMSOA-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@H]1C[NH+](C2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000351706390 445283305 /nfs/dbraw/zinc/28/33/05/445283305.db2.gz IOZOGNWOVLMSOA-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@H]1C[NH+](C2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000351706390 445283308 /nfs/dbraw/zinc/28/33/08/445283308.db2.gz IOZOGNWOVLMSOA-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP CCOCC[N@H+](C)C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348155465 445291993 /nfs/dbraw/zinc/29/19/93/445291993.db2.gz CAGHXWDCESCLJR-UONOGXRCSA-N 2 1 325.432 1.428 20 0 EDADMP CCOCC[N@@H+](C)C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348155465 445291995 /nfs/dbraw/zinc/29/19/95/445291995.db2.gz CAGHXWDCESCLJR-UONOGXRCSA-N 2 1 325.432 1.428 20 0 EDADMP CC[C@](C)(O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348173269 445302787 /nfs/dbraw/zinc/30/27/87/445302787.db2.gz SQUQHXYUSJNUFO-ZQIUZPCESA-N 2 1 339.459 1.552 20 0 EDADMP CC[C@](C)(O)C[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348173269 445302789 /nfs/dbraw/zinc/30/27/89/445302789.db2.gz SQUQHXYUSJNUFO-ZQIUZPCESA-N 2 1 339.459 1.552 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000351850811 445343093 /nfs/dbraw/zinc/34/30/93/445343093.db2.gz JJMOYKAACLHIES-PKOBYXMFSA-N 2 1 344.503 1.308 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000351850811 445343095 /nfs/dbraw/zinc/34/30/95/445343095.db2.gz JJMOYKAACLHIES-PKOBYXMFSA-N 2 1 344.503 1.308 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000351857601 445344619 /nfs/dbraw/zinc/34/46/19/445344619.db2.gz XZQGYIXYYYVYMF-ULQDDVLXSA-N 2 1 330.476 1.298 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000351857601 445344620 /nfs/dbraw/zinc/34/46/20/445344620.db2.gz XZQGYIXYYYVYMF-ULQDDVLXSA-N 2 1 330.476 1.298 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C[C@@H]1C ZINC000351883073 445354497 /nfs/dbraw/zinc/35/44/97/445354497.db2.gz MZEVPURHXFTGDG-YVSFHVDLSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C[C@@H]1C ZINC000351883073 445354500 /nfs/dbraw/zinc/35/45/00/445354500.db2.gz MZEVPURHXFTGDG-YVSFHVDLSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C[C@@H]1C ZINC000351883073 445354502 /nfs/dbraw/zinc/35/45/02/445354502.db2.gz MZEVPURHXFTGDG-YVSFHVDLSA-N 2 1 340.512 1.346 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CC(=O)N2CCOCC2)CC1 ZINC000362399646 445360296 /nfs/dbraw/zinc/36/02/96/445360296.db2.gz BPANNWATFLUDLF-UHFFFAOYSA-N 2 1 348.491 1.933 20 0 EDADMP COc1cccc(NC(=O)CC[NH+]2CCC([N@H+](C)C[C@@H](C)O)CC2)c1 ZINC000362501995 445413954 /nfs/dbraw/zinc/41/39/54/445413954.db2.gz IVHZLRSLMFPGSB-OAHLLOKOSA-N 2 1 349.475 1.801 20 0 EDADMP COc1cccc(NC(=O)CC[NH+]2CCC([N@@H+](C)C[C@@H](C)O)CC2)c1 ZINC000362501995 445413957 /nfs/dbraw/zinc/41/39/57/445413957.db2.gz IVHZLRSLMFPGSB-OAHLLOKOSA-N 2 1 349.475 1.801 20 0 EDADMP Cc1[nH+]c(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c2n1CCCC2 ZINC000362643904 445476543 /nfs/dbraw/zinc/47/65/43/445476543.db2.gz YQCOPDPVWZAJMQ-OAHLLOKOSA-N 2 1 329.448 1.684 20 0 EDADMP Cc1ccc(C[NH2+]C[C@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)nc1 ZINC000354935672 445435212 /nfs/dbraw/zinc/43/52/12/445435212.db2.gz RHPMFTIDMHAKBE-GOEBONIOSA-N 2 1 344.438 1.953 20 0 EDADMP COC(=O)C(C)(C)CC[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000348934360 445447063 /nfs/dbraw/zinc/44/70/63/445447063.db2.gz MGQHXSQTLZIQFH-UHFFFAOYSA-N 2 1 339.480 1.062 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccccn1)C2 ZINC000355219575 445450846 /nfs/dbraw/zinc/45/08/46/445450846.db2.gz CAKXDOLSCVXXNL-MRXNPFEDSA-N 2 1 341.459 1.739 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000357145966 445453991 /nfs/dbraw/zinc/45/39/91/445453991.db2.gz VOLPCFCUAMSINM-IBGZPJMESA-N 2 1 346.519 1.303 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000355406570 445458432 /nfs/dbraw/zinc/45/84/32/445458432.db2.gz DQUJVXXFFKZSFQ-KZNAEPCWSA-N 2 1 336.524 1.488 20 0 EDADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000352052212 445460428 /nfs/dbraw/zinc/46/04/28/445460428.db2.gz IZCZMSFGLCWIAI-IAGOWNOFSA-N 2 1 326.529 1.543 20 0 EDADMP C[NH2+][C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000357170322 445464939 /nfs/dbraw/zinc/46/49/39/445464939.db2.gz DXPZMPXZZHSSHM-HLLBOEOZSA-N 2 1 335.496 1.555 20 0 EDADMP C[NH2+][C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000357170322 445464940 /nfs/dbraw/zinc/46/49/40/445464940.db2.gz DXPZMPXZZHSSHM-HLLBOEOZSA-N 2 1 335.496 1.555 20 0 EDADMP c1cc2c(cc1CC[N@H+]1CC[C@@H](CN3CCOCC3)C1)OCCO2 ZINC000360019446 445530945 /nfs/dbraw/zinc/53/09/45/445530945.db2.gz YOYSAYPGAHRPCI-QGZVFWFLSA-N 2 1 332.444 1.654 20 0 EDADMP O=C(CCOC1C[NH2+]C1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000349055864 445489558 /nfs/dbraw/zinc/48/95/58/445489558.db2.gz PIFOPBZAGRUTED-CQSZACIVSA-N 2 1 337.489 1.455 20 0 EDADMP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000359928190 445492984 /nfs/dbraw/zinc/49/29/84/445492984.db2.gz ZITICXWBDCHUSL-MOPGFXCFSA-N 2 1 345.487 1.979 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000355978127 445554272 /nfs/dbraw/zinc/55/42/72/445554272.db2.gz CADUIGARZMMNJT-HNNXBMFYSA-N 2 1 346.479 1.929 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[NH2+]Cc2ccn(C)c2)cc[nH+]1 ZINC000352899275 445563864 /nfs/dbraw/zinc/56/38/64/445563864.db2.gz QJVBWYWQWQGUJD-CABCVRRESA-N 2 1 332.427 1.588 20 0 EDADMP C[C@H]1C[NH+](CCCCNc2cc[nH+]c(N3CCOCC3)n2)C[C@H](C)O1 ZINC000353267493 445584187 /nfs/dbraw/zinc/58/41/87/445584187.db2.gz PQXIBSFXIWSGJO-HOTGVXAUSA-N 2 1 349.479 1.615 20 0 EDADMP CSC1(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC[NH+](C)CC1 ZINC000357856898 445586937 /nfs/dbraw/zinc/58/69/37/445586937.db2.gz CFAJMZWGNLMWPR-KGLIPLIRSA-N 2 1 340.537 1.738 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000360037554 445539688 /nfs/dbraw/zinc/53/96/88/445539688.db2.gz DHRLVKGVWYEBMQ-ICSRJNTNSA-N 2 1 349.519 1.834 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(C)C ZINC000356109963 445626532 /nfs/dbraw/zinc/62/65/32/445626532.db2.gz AJKKXRDVADLQFJ-UHFFFAOYSA-N 2 1 342.528 1.905 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000358514782 445626881 /nfs/dbraw/zinc/62/68/81/445626881.db2.gz AIBNWVANGNIHRE-NXHRZFHOSA-N 2 1 330.476 1.710 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCC[C@@H](C)C1 ZINC000363010401 445648680 /nfs/dbraw/zinc/64/86/80/445648680.db2.gz LVZXQGDNWUHZQI-QBPKDAKJSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000363010401 445648685 /nfs/dbraw/zinc/64/86/85/445648685.db2.gz LVZXQGDNWUHZQI-QBPKDAKJSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[N@H+]1CCC[C@@H](C)C1 ZINC000363010401 445648691 /nfs/dbraw/zinc/64/86/91/445648691.db2.gz LVZXQGDNWUHZQI-QBPKDAKJSA-N 2 1 338.496 1.269 20 0 EDADMP C[N@@H+](CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)C1CCCC1 ZINC000363020234 445651572 /nfs/dbraw/zinc/65/15/72/445651572.db2.gz FOVFFVGJHOOJRO-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[NH+]2CCC[C@H]2C1 ZINC000363116871 445684782 /nfs/dbraw/zinc/68/47/82/445684782.db2.gz BDAZNTCUCFEJKR-OALUTQOASA-N 2 1 343.471 1.584 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[NH+]2CCC[C@H]2C1 ZINC000363116871 445684786 /nfs/dbraw/zinc/68/47/86/445684786.db2.gz BDAZNTCUCFEJKR-OALUTQOASA-N 2 1 343.471 1.584 20 0 EDADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363116871 445684793 /nfs/dbraw/zinc/68/47/93/445684793.db2.gz BDAZNTCUCFEJKR-OALUTQOASA-N 2 1 343.471 1.584 20 0 EDADMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363116871 445684796 /nfs/dbraw/zinc/68/47/96/445684796.db2.gz BDAZNTCUCFEJKR-OALUTQOASA-N 2 1 343.471 1.584 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](N2CCOCC2)[C@H]1C ZINC000356263725 445707224 /nfs/dbraw/zinc/70/72/24/445707224.db2.gz RVWUFHSQMIXTHQ-APWZRJJASA-N 2 1 341.459 1.871 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000349758485 445668789 /nfs/dbraw/zinc/66/87/89/445668789.db2.gz OCQCCRLOEHRJDW-BFYDXBDKSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000349758486 445669029 /nfs/dbraw/zinc/66/90/29/445669029.db2.gz OCQCCRLOEHRJDW-HLLBOEOZSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000349758486 445669031 /nfs/dbraw/zinc/66/90/31/445669031.db2.gz OCQCCRLOEHRJDW-HLLBOEOZSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000349758486 445669034 /nfs/dbraw/zinc/66/90/34/445669034.db2.gz OCQCCRLOEHRJDW-HLLBOEOZSA-N 2 1 338.496 1.364 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000356198576 445671118 /nfs/dbraw/zinc/67/11/18/445671118.db2.gz DGTFXVLZIDRFIE-HNNXBMFYSA-N 2 1 326.529 1.543 20 0 EDADMP CSC1(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC[NH+](C)CC1 ZINC000360692694 445722708 /nfs/dbraw/zinc/72/27/08/445722708.db2.gz JKVPPHJFOAOKPY-HUUCEWRRSA-N 2 1 340.537 1.692 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000349929661 445723810 /nfs/dbraw/zinc/72/38/10/445723810.db2.gz CKJCAXYRJSWUMJ-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000349929661 445723812 /nfs/dbraw/zinc/72/38/12/445723812.db2.gz CKJCAXYRJSWUMJ-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+](C)C ZINC000363224183 445730075 /nfs/dbraw/zinc/73/00/75/445730075.db2.gz RNVRAGBOGCGQHA-KBAYOESNSA-N 2 1 332.492 1.994 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000350026288 445752784 /nfs/dbraw/zinc/75/27/84/445752784.db2.gz JQQUYQHRBYRUGB-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC000358864641 445818874 /nfs/dbraw/zinc/81/88/74/445818874.db2.gz MGFWJXVJCAWRRI-HZPDHXFCSA-N 2 1 336.480 1.510 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000353967846 445833537 /nfs/dbraw/zinc/83/35/37/445833537.db2.gz TXWHXAKCGFUWRL-UHFFFAOYSA-N 2 1 349.479 1.654 20 0 EDADMP CCOC(=O)CC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358876748 445826863 /nfs/dbraw/zinc/82/68/63/445826863.db2.gz VAQQWJGWIVVQLI-IYBDPMFKSA-N 2 1 342.480 1.530 20 0 EDADMP CCOC(=O)CC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358876748 445826865 /nfs/dbraw/zinc/82/68/65/445826865.db2.gz VAQQWJGWIVVQLI-IYBDPMFKSA-N 2 1 342.480 1.530 20 0 EDADMP CC(C)[C@@H](C(=O)NCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000363391734 445784657 /nfs/dbraw/zinc/78/46/57/445784657.db2.gz YFDLCYWZZHDXHD-OALUTQOASA-N 2 1 346.519 1.678 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000350261277 445803144 /nfs/dbraw/zinc/80/31/44/445803144.db2.gz XDVRIQZDTIAVIS-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000358846556 445806931 /nfs/dbraw/zinc/80/69/31/445806931.db2.gz KTOGAEATZCUESB-DOTOQJQBSA-N 2 1 325.497 1.412 20 0 EDADMP [NH3+]CCCN(Cc1ccccc1)C(=O)CCCN1CCC([NH3+])CC1 ZINC000358916675 445846385 /nfs/dbraw/zinc/84/63/85/445846385.db2.gz SSKHXVIJJIPPPQ-UHFFFAOYSA-N 2 1 332.492 1.567 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000361804263 445958650 /nfs/dbraw/zinc/95/86/50/445958650.db2.gz PMJTVYJVYCGNHJ-GVDBMIGSSA-N 2 1 337.512 1.086 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@H]1N1CCOCC1 ZINC000361804263 445958654 /nfs/dbraw/zinc/95/86/54/445958654.db2.gz PMJTVYJVYCGNHJ-GVDBMIGSSA-N 2 1 337.512 1.086 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000350980367 445964190 /nfs/dbraw/zinc/96/41/90/445964190.db2.gz HQPQPQMNKFWXDA-OAGGEKHMSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[NH+]1CC(C)C1 ZINC000582555076 325873794 /nfs/dbraw/zinc/87/37/94/325873794.db2.gz GSHGMTAJSWZRER-AWEZNQCLSA-N 2 1 332.448 1.856 20 0 EDADMP c1nc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc(N2CCSCC2)n1 ZINC000372969616 445950503 /nfs/dbraw/zinc/95/05/03/445950503.db2.gz NYDBLMOXZRWFSM-ARFHVFGLSA-N 2 1 345.516 1.950 20 0 EDADMP CC(C)S(=O)(=O)N1CCC([NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000361793032 445951102 /nfs/dbraw/zinc/95/11/02/445951102.db2.gz TYLGHYYIPJWFJX-YCPHGPKFSA-N 2 1 331.526 1.507 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CN(C2CC2)CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000366082227 446001771 /nfs/dbraw/zinc/00/17/71/446001771.db2.gz CJQWXIPZUNODSY-HLLBOEOZSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359221800 446052536 /nfs/dbraw/zinc/05/25/36/446052536.db2.gz YDTMRRIGEBVSAN-CYBMUJFWSA-N 2 1 325.478 1.717 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C3([NH3+])CCC3)C2)cc(OC)c1 ZINC000583691837 326119991 /nfs/dbraw/zinc/11/99/91/326119991.db2.gz RAUNHXQWEKLSES-AWEZNQCLSA-N 2 1 333.432 1.276 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C3([NH3+])CCC3)C2)cc(OC)c1 ZINC000583691837 326119994 /nfs/dbraw/zinc/11/99/94/326119994.db2.gz RAUNHXQWEKLSES-AWEZNQCLSA-N 2 1 333.432 1.276 20 0 EDADMP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000583745996 326130670 /nfs/dbraw/zinc/13/06/70/326130670.db2.gz RVJUGHDHKQZIKY-YOEHRIQHSA-N 2 1 332.448 1.827 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000583745996 326130672 /nfs/dbraw/zinc/13/06/72/326130672.db2.gz RVJUGHDHKQZIKY-YOEHRIQHSA-N 2 1 332.448 1.827 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000583984286 326177862 /nfs/dbraw/zinc/17/78/62/326177862.db2.gz PJOTVSSQPUCGMU-GJZGRUSLSA-N 2 1 328.501 1.562 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N(C)CCC[NH3+] ZINC000584162292 326211113 /nfs/dbraw/zinc/21/11/13/326211113.db2.gz WPHXIWJUYOYZDJ-INIZCTEOSA-N 2 1 333.480 1.187 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351476216 446077819 /nfs/dbraw/zinc/07/78/19/446077819.db2.gz KCCJCSLWEXNSFA-QXAKKESOSA-N 2 1 345.487 1.802 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351476216 446077824 /nfs/dbraw/zinc/07/78/24/446077824.db2.gz KCCJCSLWEXNSFA-QXAKKESOSA-N 2 1 345.487 1.802 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000351496365 446100951 /nfs/dbraw/zinc/10/09/51/446100951.db2.gz RJYOPRTWBBZJGJ-LAQRGFTBSA-N 2 1 331.460 1.548 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000351496365 446100959 /nfs/dbraw/zinc/10/09/59/446100959.db2.gz RJYOPRTWBBZJGJ-LAQRGFTBSA-N 2 1 331.460 1.548 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000359266890 446104052 /nfs/dbraw/zinc/10/40/52/446104052.db2.gz UXOOJHDZNRLEAF-HZPDHXFCSA-N 2 1 340.512 1.214 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000369368491 446109056 /nfs/dbraw/zinc/10/90/56/446109056.db2.gz CYMPZCWIEBAGLR-AEFFLSMTSA-N 2 1 349.523 1.035 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000369368491 446109065 /nfs/dbraw/zinc/10/90/65/446109065.db2.gz CYMPZCWIEBAGLR-AEFFLSMTSA-N 2 1 349.523 1.035 20 0 EDADMP COC1(C[C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CCC1 ZINC000365345785 446160904 /nfs/dbraw/zinc/16/09/04/446160904.db2.gz PGECIRCCYLGWIK-SJORKVTESA-N 2 1 325.497 1.330 20 0 EDADMP Cc1nccc(CN2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2=O)n1 ZINC000369890926 446164987 /nfs/dbraw/zinc/16/49/87/446164987.db2.gz BBVGRRIPNCUXHO-SZMVWBNQSA-N 2 1 343.475 1.492 20 0 EDADMP Cc1nccc(CN2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2=O)n1 ZINC000369890926 446164992 /nfs/dbraw/zinc/16/49/92/446164992.db2.gz BBVGRRIPNCUXHO-SZMVWBNQSA-N 2 1 343.475 1.492 20 0 EDADMP O=C(NC1CC[NH+](CC2CC2)CC1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365356636 446165817 /nfs/dbraw/zinc/16/58/17/446165817.db2.gz LRPKNWYUEPTCIC-UHOSZYNNSA-N 2 1 346.519 1.987 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCC[NH+](CC)CC)C[C@H]1[NH+]1CCOCC1 ZINC000366384500 446184592 /nfs/dbraw/zinc/18/45/92/446184592.db2.gz KLFPMLAIYFVBFC-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@H](CO)[C@H](C)C2)CC1 ZINC000362062602 446187900 /nfs/dbraw/zinc/18/79/00/446187900.db2.gz FAUFPWIUENUUJQ-ZIFCJYIRSA-N 2 1 345.487 1.452 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](CO)[C@H](C)C2)CC1 ZINC000362062602 446187904 /nfs/dbraw/zinc/18/79/04/446187904.db2.gz FAUFPWIUENUUJQ-ZIFCJYIRSA-N 2 1 345.487 1.452 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH2+]CC3)[C@@H](C)C2)s1 ZINC000366322925 446150256 /nfs/dbraw/zinc/15/02/56/446150256.db2.gz KTNFIYVLKLUMLU-BLLLJJGKSA-N 2 1 336.505 1.778 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH2+]CC3)[C@H](C)C2)s1 ZINC000366322927 446150806 /nfs/dbraw/zinc/15/08/06/446150806.db2.gz KTNFIYVLKLUMLU-MLGOLLRUSA-N 2 1 336.505 1.778 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000366323904 446150973 /nfs/dbraw/zinc/15/09/73/446150973.db2.gz MTLXFTZRGXRXNU-KRWDZBQOSA-N 3 1 336.524 1.441 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@H+]1C1CC1 ZINC000370280294 446211213 /nfs/dbraw/zinc/21/12/13/446211213.db2.gz FMRLYJSKMTTYEQ-BZUAXINKSA-N 2 1 349.523 1.079 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000370280294 446211216 /nfs/dbraw/zinc/21/12/16/446211216.db2.gz FMRLYJSKMTTYEQ-BZUAXINKSA-N 2 1 349.523 1.079 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000370280294 446211221 /nfs/dbraw/zinc/21/12/21/446211221.db2.gz FMRLYJSKMTTYEQ-BZUAXINKSA-N 2 1 349.523 1.079 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000370280294 446211224 /nfs/dbraw/zinc/21/12/24/446211224.db2.gz FMRLYJSKMTTYEQ-BZUAXINKSA-N 2 1 349.523 1.079 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000370280294 446211229 /nfs/dbraw/zinc/21/12/29/446211229.db2.gz FMRLYJSKMTTYEQ-BZUAXINKSA-N 2 1 349.523 1.079 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO ZINC000370304202 446223439 /nfs/dbraw/zinc/22/34/39/446223439.db2.gz XCAITTACLMNDNA-SJORKVTESA-N 2 1 349.479 1.212 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000370304202 446223445 /nfs/dbraw/zinc/22/34/45/446223445.db2.gz XCAITTACLMNDNA-SJORKVTESA-N 2 1 349.479 1.212 20 0 EDADMP C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000366479346 446231019 /nfs/dbraw/zinc/23/10/19/446231019.db2.gz PYKAGTOUGAUILD-OAHLLOKOSA-N 2 1 329.510 1.361 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000359588897 446306880 /nfs/dbraw/zinc/30/68/80/446306880.db2.gz IMSCJOFIJYWYCY-RDJZCZTQSA-N 2 1 346.475 1.721 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@@H]1SC ZINC000362322208 446319257 /nfs/dbraw/zinc/31/92/57/446319257.db2.gz MCVNYWNBOZEBAD-XQLPTFJDSA-N 2 1 329.510 1.072 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000365732062 446319590 /nfs/dbraw/zinc/31/95/90/446319590.db2.gz DDHAHCPLHVFEGQ-YESZJQIVSA-N 2 1 337.464 1.536 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000365732062 446319594 /nfs/dbraw/zinc/31/95/94/446319594.db2.gz DDHAHCPLHVFEGQ-YESZJQIVSA-N 2 1 337.464 1.536 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000417337851 446347488 /nfs/dbraw/zinc/34/74/88/446347488.db2.gz JKLWTLAHJKKTQA-ATZDWAIDSA-N 2 1 342.487 1.684 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CC[NH+](C)CC1 ZINC000366722096 446323428 /nfs/dbraw/zinc/32/34/28/446323428.db2.gz JZZGLOMBEYKHCK-FUHWJXTLSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CC[NH+](C)CC1 ZINC000366722096 446323432 /nfs/dbraw/zinc/32/34/32/446323432.db2.gz JZZGLOMBEYKHCK-FUHWJXTLSA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)cn2)CC1 ZINC000365816813 446354261 /nfs/dbraw/zinc/35/42/61/446354261.db2.gz NCIHKOBPPYNSLC-NVXWUHKLSA-N 2 1 343.475 1.646 20 0 EDADMP Cn1ccc(N2CCC[C@@H]([N@H+]3CCCC4(CC[NH+](C)CC4)C3)C2=O)n1 ZINC000374170070 446355320 /nfs/dbraw/zinc/35/53/20/446355320.db2.gz AHRSYGBGAJUOAF-MRXNPFEDSA-N 2 1 345.491 1.723 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000417516592 446360573 /nfs/dbraw/zinc/36/05/73/446360573.db2.gz OBUFLGHXYJEEJI-QZTJIDSGSA-N 2 1 348.491 1.747 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2C[NH3+])[C@@H](C)C1 ZINC000417671694 446368961 /nfs/dbraw/zinc/36/89/61/446368961.db2.gz QUTNLHQLTRDALE-ULQDDVLXSA-N 2 1 340.512 1.646 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H]3CCCC[C@H]32)C1 ZINC000366873422 446391562 /nfs/dbraw/zinc/39/15/62/446391562.db2.gz ZDDFZDZNYGZFCR-FGTMMUONSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H]3CCCC[C@H]32)C1 ZINC000366873422 446391563 /nfs/dbraw/zinc/39/15/63/446391563.db2.gz ZDDFZDZNYGZFCR-FGTMMUONSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H]3CCCC[C@H]32)C1 ZINC000366873422 446391564 /nfs/dbraw/zinc/39/15/64/446391564.db2.gz ZDDFZDZNYGZFCR-FGTMMUONSA-N 2 1 337.508 1.724 20 0 EDADMP CC1CCC(O)(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC000374798958 446398510 /nfs/dbraw/zinc/39/85/10/446398510.db2.gz INVRBSIQBMMQDV-UHFFFAOYSA-N 2 1 326.481 1.087 20 0 EDADMP OC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423120869 446430612 /nfs/dbraw/zinc/43/06/12/446430612.db2.gz HPVLJHBLJCIDMR-UHZRXMQZSA-N 2 1 330.472 1.899 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418075902 446433076 /nfs/dbraw/zinc/43/30/76/446433076.db2.gz HNFOXDBMYBOJCX-HOCLYGCPSA-N 2 1 336.505 1.641 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418075902 446433083 /nfs/dbraw/zinc/43/30/83/446433083.db2.gz HNFOXDBMYBOJCX-HOCLYGCPSA-N 2 1 336.505 1.641 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418099475 446440698 /nfs/dbraw/zinc/44/06/98/446440698.db2.gz NNUVMIXIXSFWDI-QGZVFWFLSA-N 2 1 347.507 1.981 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CCCO[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000420282203 446449529 /nfs/dbraw/zinc/44/95/29/446449529.db2.gz MRRJKCBXTYGFMX-UXLLHSPISA-N 2 1 349.479 1.646 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417974964 446405182 /nfs/dbraw/zinc/40/51/82/446405182.db2.gz DXHSXHVEWFDJCW-WBVHZDCISA-N 2 1 334.464 1.266 20 0 EDADMP C[C@H](NC(=O)N1CC[NH2+]C[C@](C)(F)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417988812 446408775 /nfs/dbraw/zinc/40/87/75/446408775.db2.gz IVOOLWUZWVCORR-MPGHIAIKSA-N 2 1 340.487 1.982 20 0 EDADMP C[C@H](NC(=O)N1CC[NH2+]C[C@](C)(F)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417988812 446408779 /nfs/dbraw/zinc/40/87/79/446408779.db2.gz IVOOLWUZWVCORR-MPGHIAIKSA-N 2 1 340.487 1.982 20 0 EDADMP C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417990236 446409066 /nfs/dbraw/zinc/40/90/66/446409066.db2.gz KDDFBYUIYCIVJM-OBJOEFQTSA-N 2 1 332.439 1.921 20 0 EDADMP Cc1nccn1-c1cccc(NC[C@@H]2CN(CC(C)C)CCO2)n1 ZINC000370750352 446416046 /nfs/dbraw/zinc/41/60/46/446416046.db2.gz PUODJQUUAVNTMO-MRXNPFEDSA-N 2 1 329.448 2.344 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418017810 446417108 /nfs/dbraw/zinc/41/71/08/446417108.db2.gz UDTSIONBESNKNB-BGTYHANMSA-N 2 1 328.460 1.510 20 0 EDADMP CCn1ccnc1C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000420303319 446465556 /nfs/dbraw/zinc/46/55/56/446465556.db2.gz CUEOIMKEEITJLG-SJORKVTESA-N 3 1 331.508 1.847 20 0 EDADMP CCn1ccnc1CN(CC[C@H]1CC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000420303319 446465561 /nfs/dbraw/zinc/46/55/61/446465561.db2.gz CUEOIMKEEITJLG-SJORKVTESA-N 2 1 331.508 1.847 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@]2([NH+](C)C)CCCSC2)C1 ZINC000367019172 446465950 /nfs/dbraw/zinc/46/59/50/446465950.db2.gz GTIZOYZEVZUHBN-DOTOQJQBSA-N 2 1 327.538 1.908 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000420306634 446469561 /nfs/dbraw/zinc/46/95/61/446469561.db2.gz QRARKIUMFODZHB-AJNGGQMLSA-N 2 1 332.366 1.305 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000420306634 446469569 /nfs/dbraw/zinc/46/95/69/446469569.db2.gz QRARKIUMFODZHB-AJNGGQMLSA-N 2 1 332.366 1.305 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000432488153 446474152 /nfs/dbraw/zinc/47/41/52/446474152.db2.gz CVKHGCLTYYLKFX-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH2+]CCCNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000418279145 446481792 /nfs/dbraw/zinc/48/17/92/446481792.db2.gz OHNYWSJJTRCICA-UHFFFAOYSA-N 2 1 332.492 1.946 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000376406210 446479124 /nfs/dbraw/zinc/47/91/24/446479124.db2.gz CWDWKMDYFXUBSG-AABGKKOBSA-N 3 1 334.552 1.819 20 0 EDADMP CC(C)[NH+]1CCN(CCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000376406210 446479126 /nfs/dbraw/zinc/47/91/26/446479126.db2.gz CWDWKMDYFXUBSG-AABGKKOBSA-N 3 1 334.552 1.819 20 0 EDADMP CC(C)[NH+]1CCN(CCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000376406210 446479129 /nfs/dbraw/zinc/47/91/29/446479129.db2.gz CWDWKMDYFXUBSG-AABGKKOBSA-N 3 1 334.552 1.819 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)COC3CC[NH2+]CC3)CC2)c1 ZINC000423310198 446482694 /nfs/dbraw/zinc/48/26/94/446482694.db2.gz RHTOAQNZJAOIBG-UHFFFAOYSA-N 2 1 331.460 1.408 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000423307184 446482028 /nfs/dbraw/zinc/48/20/28/446482028.db2.gz MUDYDYBKDPUWQW-UHFFFAOYSA-N 2 1 331.460 1.408 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC2(C[NH3+])CC2)c1 ZINC000423338574 446494454 /nfs/dbraw/zinc/49/44/54/446494454.db2.gz WFMZKJRKYYYMMT-HNNXBMFYSA-N 2 1 330.432 1.204 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC2(C[NH3+])CC2)c1 ZINC000423338574 446494462 /nfs/dbraw/zinc/49/44/62/446494462.db2.gz WFMZKJRKYYYMMT-HNNXBMFYSA-N 2 1 330.432 1.204 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423365104 446503141 /nfs/dbraw/zinc/50/31/41/446503141.db2.gz PENNSZNJUFGUNI-INMHGKMJSA-N 2 1 333.480 1.658 20 0 EDADMP C[C@H](C(=O)NCc1cccs1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331977 446503250 /nfs/dbraw/zinc/50/32/50/446503250.db2.gz RCKOIFBQGWHONW-KGLIPLIRSA-N 2 1 337.489 1.440 20 0 EDADMP C[C@H](C(=O)NCc1cccs1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331977 446503259 /nfs/dbraw/zinc/50/32/59/446503259.db2.gz RCKOIFBQGWHONW-KGLIPLIRSA-N 2 1 337.489 1.440 20 0 EDADMP CN(C(=O)NC[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418336940 446506023 /nfs/dbraw/zinc/50/60/23/446506023.db2.gz INKUUVWRTLLVOD-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420337024 446507956 /nfs/dbraw/zinc/50/79/56/446507956.db2.gz WGVZKWPIHWYKKH-IRXDYDNUSA-N 3 1 333.476 1.425 20 0 EDADMP COc1ccc([C@@H](C[NH3+])CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420337024 446507958 /nfs/dbraw/zinc/50/79/58/446507958.db2.gz WGVZKWPIHWYKKH-IRXDYDNUSA-N 2 1 333.476 1.425 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C[C@@H]1C ZINC000423384389 446512280 /nfs/dbraw/zinc/51/22/80/446512280.db2.gz QADDUPDUYVCBOE-JYJNAYRXSA-N 2 1 340.512 1.149 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418360939 446513193 /nfs/dbraw/zinc/51/31/93/446513193.db2.gz KPSMIRDWNNOQQX-WBVHZDCISA-N 2 1 339.528 1.219 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCc1ccc(F)cc1 ZINC000420343309 446514918 /nfs/dbraw/zinc/51/49/18/446514918.db2.gz QMYZIMWNXCQOQS-IAGOWNOFSA-N 2 1 333.451 1.806 20 0 EDADMP C[C@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000418325202 446498743 /nfs/dbraw/zinc/49/87/43/446498743.db2.gz WRPRPYAZUJIYRG-AWEZNQCLSA-N 2 1 326.485 1.135 20 0 EDADMP O=C(NCC1C[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418480960 446560105 /nfs/dbraw/zinc/56/01/05/446560105.db2.gz CCAWHOZSRPLGBA-ZWKOTPCHSA-N 2 1 328.460 1.369 20 0 EDADMP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423527849 446562437 /nfs/dbraw/zinc/56/24/37/446562437.db2.gz WCNLRDBMDRIXMA-XRXFAXGQSA-N 3 1 342.531 1.780 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)CC1 ZINC000367583713 446565616 /nfs/dbraw/zinc/56/56/16/446565616.db2.gz FMPICBWWENSZCF-QZTJIDSGSA-N 2 1 325.497 1.282 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)CC1 ZINC000367583713 446565620 /nfs/dbraw/zinc/56/56/20/446565620.db2.gz FMPICBWWENSZCF-QZTJIDSGSA-N 2 1 325.497 1.282 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCCOCc3ccccc3)C2)nn1 ZINC000420389856 446565742 /nfs/dbraw/zinc/56/57/42/446565742.db2.gz YYZFZNKXFXIRRV-SFHVURJKSA-N 2 1 329.448 1.981 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000418501706 446568638 /nfs/dbraw/zinc/56/86/38/446568638.db2.gz RXGDGPHSKCBODY-QGZVFWFLSA-N 2 1 348.491 1.528 20 0 EDADMP O=C(N[C@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418496750 446566478 /nfs/dbraw/zinc/56/64/78/446566478.db2.gz GBLAARUFBLFLGP-OTWHNJEPSA-N 2 1 342.487 1.902 20 0 EDADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000423405964 446519333 /nfs/dbraw/zinc/51/93/33/446519333.db2.gz ZTPWRWKUMJTYLV-JJXSEGSLSA-N 3 1 348.457 1.723 20 0 EDADMP O=C(NC[C@@H]1CCC[NH2+]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418379751 446521748 /nfs/dbraw/zinc/52/17/48/446521748.db2.gz WGXYWMBMONNJMA-FHWLQOOXSA-N 2 1 342.487 1.902 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000418382524 446522635 /nfs/dbraw/zinc/52/26/35/446522635.db2.gz IECRSJYTAFYCRX-RCCFBDPRSA-N 2 1 348.491 1.152 20 0 EDADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1C ZINC000420348616 446525762 /nfs/dbraw/zinc/52/57/62/446525762.db2.gz MGZDVCOHIRGSHN-SJORKVTESA-N 2 1 330.476 1.610 20 0 EDADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1C ZINC000420348616 446525768 /nfs/dbraw/zinc/52/57/68/446525768.db2.gz MGZDVCOHIRGSHN-SJORKVTESA-N 2 1 330.476 1.610 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)C(C)C)CC2)CC1 ZINC000375079927 446566862 /nfs/dbraw/zinc/56/68/62/446566862.db2.gz JADSMVWXNDGLPG-KRWDZBQOSA-N 2 1 325.497 1.270 20 0 EDADMP CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420350114 446528725 /nfs/dbraw/zinc/52/87/25/446528725.db2.gz RJLDOHQYKVINSV-APWZRJJASA-N 2 1 344.503 1.406 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC[C@@]2(COC)CCC[NH2+]2)[C@H](C)C1 ZINC000423426117 446531257 /nfs/dbraw/zinc/53/12/57/446531257.db2.gz MRZVLVJJVYAVAH-FGTMMUONSA-N 2 1 327.513 1.482 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C[NH3+])C(C)C)C2)cc(OC)c1 ZINC000433134652 446533850 /nfs/dbraw/zinc/53/38/50/446533850.db2.gz RQPROPNDBDJUEB-QAPCUYQASA-N 2 1 349.475 1.625 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C[NH3+])C(C)C)C2)cc(OC)c1 ZINC000433134652 446533855 /nfs/dbraw/zinc/53/38/55/446533855.db2.gz RQPROPNDBDJUEB-QAPCUYQASA-N 2 1 349.475 1.625 20 0 EDADMP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000433137835 446535117 /nfs/dbraw/zinc/53/51/17/446535117.db2.gz VDCFQWMCIXMIDJ-DOTOQJQBSA-N 2 1 346.475 1.553 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000433137838 446536107 /nfs/dbraw/zinc/53/61/07/446536107.db2.gz VDCFQWMCIXMIDJ-WBVHZDCISA-N 2 1 346.475 1.553 20 0 EDADMP C[N@H+]1CC=C(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000375049535 446543902 /nfs/dbraw/zinc/54/39/02/446543902.db2.gz NKFAPKNRESUQGE-SJORKVTESA-N 2 1 336.480 1.191 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000375049535 446543907 /nfs/dbraw/zinc/54/39/07/446543907.db2.gz NKFAPKNRESUQGE-SJORKVTESA-N 2 1 336.480 1.191 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000418452849 446549537 /nfs/dbraw/zinc/54/95/37/446549537.db2.gz YIZGLXBRMWLWTM-IAGOWNOFSA-N 2 1 339.528 1.315 20 0 EDADMP [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)[C@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC000376626896 446613473 /nfs/dbraw/zinc/61/34/73/446613473.db2.gz LQMHIPMDRQOEKC-GGPKGHCWSA-N 2 1 343.471 1.617 20 0 EDADMP [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)[C@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC000376626896 446613482 /nfs/dbraw/zinc/61/34/82/446613482.db2.gz LQMHIPMDRQOEKC-GGPKGHCWSA-N 2 1 343.471 1.617 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418613307 446616446 /nfs/dbraw/zinc/61/64/46/446616446.db2.gz JIOYOJBUQRZOPF-MRXNPFEDSA-N 2 1 340.512 1.253 20 0 EDADMP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420402005 446574291 /nfs/dbraw/zinc/57/42/91/446574291.db2.gz HQUYFEJPCFEXNF-GFCCVEGCSA-N 2 1 325.840 1.761 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N(C)CC2([NH+](C)C)CCC2)CCCO1 ZINC000433464614 446577877 /nfs/dbraw/zinc/57/78/77/446577877.db2.gz DBTZGRNJSOOFKE-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418529283 446580956 /nfs/dbraw/zinc/58/09/56/446580956.db2.gz SZKOMIGUQIYCJT-UYAOXDASSA-N 2 1 342.487 1.904 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@H]1CC ZINC000418558360 446593867 /nfs/dbraw/zinc/59/38/67/446593867.db2.gz XKFDLXCASPRDIG-SJLPKXTDSA-N 2 1 340.512 1.518 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000418657308 446637627 /nfs/dbraw/zinc/63/76/27/446637627.db2.gz ULGBARBSRHSYHR-KBAYOESNSA-N 2 1 330.476 1.984 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418662636 446638897 /nfs/dbraw/zinc/63/88/97/446638897.db2.gz DREABFDMSJNMBQ-BRWVUGGUSA-N 2 1 339.528 1.077 20 0 EDADMP [NH3+]CCC[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000418666732 446641859 /nfs/dbraw/zinc/64/18/59/446641859.db2.gz GMQLJIVOOHBKTF-QZTJIDSGSA-N 2 1 348.491 1.613 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418675236 446644576 /nfs/dbraw/zinc/64/45/76/446644576.db2.gz RCVVTIOIMYOIEE-XQZMSQOBSA-N 2 1 328.460 1.509 20 0 EDADMP CN1CCN([C@H]2CCCC[N@@H+](Cc3c[nH]c4nccnc34)C2)CC1 ZINC000368107221 446645025 /nfs/dbraw/zinc/64/50/25/446645025.db2.gz DMEISIOJWSQALZ-INIZCTEOSA-N 2 1 328.464 1.511 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3c[nH]c4nccnc34)C2)CC1 ZINC000368107221 446645030 /nfs/dbraw/zinc/64/50/30/446645030.db2.gz DMEISIOJWSQALZ-INIZCTEOSA-N 2 1 328.464 1.511 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000368113866 446649055 /nfs/dbraw/zinc/64/90/55/446649055.db2.gz UOLTXCRSOIXOIA-HIFRSBDPSA-N 2 1 328.420 1.503 20 0 EDADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)[nH]1 ZINC000376689617 446654038 /nfs/dbraw/zinc/65/40/38/446654038.db2.gz NMRGIBRJCLFIEC-YOEHRIQHSA-N 2 1 328.416 1.979 20 0 EDADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)[nH]1 ZINC000376689617 446654043 /nfs/dbraw/zinc/65/40/43/446654043.db2.gz NMRGIBRJCLFIEC-YOEHRIQHSA-N 2 1 328.416 1.979 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)CC2)c1 ZINC000418727414 446655941 /nfs/dbraw/zinc/65/59/41/446655941.db2.gz FAFWONHDXPYYNE-LBPRGKRZSA-N 2 1 327.379 1.204 20 0 EDADMP CC(C)[C@@H](C[NH3+])C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000423726117 446661494 /nfs/dbraw/zinc/66/14/94/446661494.db2.gz JVIHDLJBFSCRQD-GOSISDBHSA-N 2 1 348.491 1.363 20 0 EDADMP CCOC(=O)c1nn(C)cc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000368136261 446662674 /nfs/dbraw/zinc/66/26/74/446662674.db2.gz UHORZKWRTHJMKB-HNNXBMFYSA-N 2 1 334.464 1.761 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000418652809 446634998 /nfs/dbraw/zinc/63/49/98/446634998.db2.gz NJHXMYDPWMDHSL-GOSISDBHSA-N 2 1 348.491 1.347 20 0 EDADMP C[C@@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000423762952 446690481 /nfs/dbraw/zinc/69/04/81/446690481.db2.gz PATGNUUDUKWIHR-HPFXQQBRSA-N 2 1 333.476 1.890 20 0 EDADMP C[C@@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000423762952 446690488 /nfs/dbraw/zinc/69/04/88/446690488.db2.gz PATGNUUDUKWIHR-HPFXQQBRSA-N 2 1 333.476 1.890 20 0 EDADMP CC[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435627354 446704966 /nfs/dbraw/zinc/70/49/66/446704966.db2.gz QWGNLNMPNDOHNT-KRWDZBQOSA-N 2 1 346.475 1.867 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[C@@H]1CC ZINC000418792638 446705151 /nfs/dbraw/zinc/70/51/51/446705151.db2.gz OWGUIDDNWMNQTP-OAGGEKHMSA-N 2 1 326.485 1.256 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000411909591 446719749 /nfs/dbraw/zinc/71/97/49/446719749.db2.gz FZYGZKFLNKJNPG-DOTOQJQBSA-N 2 1 344.459 1.384 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000423836652 446724031 /nfs/dbraw/zinc/72/40/31/446724031.db2.gz GVMJZOXNQLKVJO-GOSISDBHSA-N 2 1 344.459 1.431 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000423836685 446725110 /nfs/dbraw/zinc/72/51/10/446725110.db2.gz AKQNAHHMSKBMRY-FHWLQOOXSA-N 2 1 345.487 1.782 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1c1ccc(Cl)cc1 ZINC000423838668 446726786 /nfs/dbraw/zinc/72/67/86/446726786.db2.gz XTDHGFFLOAZSNZ-LVQVYYBASA-N 2 1 337.851 1.708 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1c1ccc(Cl)cc1 ZINC000423838668 446726791 /nfs/dbraw/zinc/72/67/91/446726791.db2.gz XTDHGFFLOAZSNZ-LVQVYYBASA-N 2 1 337.851 1.708 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H](C[NH3+])OC)CC[N@H+]2C2CC2)c1 ZINC000423837870 446727260 /nfs/dbraw/zinc/72/72/60/446727260.db2.gz XHFUETUUOYDSKW-BRWVUGGUSA-N 2 1 333.432 1.063 20 0 EDADMP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000371274171 446733907 /nfs/dbraw/zinc/73/39/07/446733907.db2.gz CTSAKUBCVLXFLM-LJQANCHMSA-N 2 1 348.535 1.491 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371282343 446740677 /nfs/dbraw/zinc/74/06/77/446740677.db2.gz AIHDNWVXZNIJBW-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371282343 446740683 /nfs/dbraw/zinc/74/06/83/446740683.db2.gz AIHDNWVXZNIJBW-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000423753733 446683986 /nfs/dbraw/zinc/68/39/86/446683986.db2.gz XTUUVHBIADWXEX-JKSUJKDBSA-N 2 1 339.480 1.395 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CC[C@@H]21 ZINC000423895649 446750897 /nfs/dbraw/zinc/75/08/97/446750897.db2.gz GCIZDARYDTWHDI-MOPGFXCFSA-N 2 1 327.472 1.931 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCN1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000375390614 446766266 /nfs/dbraw/zinc/76/62/66/446766266.db2.gz HQJCXSUNNKGUIP-DLBZAZTESA-N 2 1 343.537 1.102 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)CC2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000423934404 446785476 /nfs/dbraw/zinc/78/54/76/446785476.db2.gz VNBNVVOHJMOSBS-ICSRJNTNSA-N 2 1 345.487 1.954 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)CC2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000423934404 446785483 /nfs/dbraw/zinc/78/54/83/446785483.db2.gz VNBNVVOHJMOSBS-ICSRJNTNSA-N 2 1 345.487 1.954 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000424019574 446826569 /nfs/dbraw/zinc/82/65/69/446826569.db2.gz KIJJREYNWYCQJJ-QZTJIDSGSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@@H]1OCC[C@@H]1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371406530 446836491 /nfs/dbraw/zinc/83/64/91/446836491.db2.gz LYKZEROLLHCIJY-YJBOKZPZSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@]1(C)C[NH3+] ZINC000423975864 446803667 /nfs/dbraw/zinc/80/36/67/446803667.db2.gz NJTHCSCLNZHJEV-YVWKXTFCSA-N 2 1 345.487 1.721 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@]1(C)C[NH3+] ZINC000423975864 446803673 /nfs/dbraw/zinc/80/36/73/446803673.db2.gz NJTHCSCLNZHJEV-YVWKXTFCSA-N 2 1 345.487 1.721 20 0 EDADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000371360089 446804340 /nfs/dbraw/zinc/80/43/40/446804340.db2.gz NNEYEVTYBGKOOP-LJQANCHMSA-N 2 1 344.503 1.535 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)N[C@H](C)CC[NH3+])cc1 ZINC000419033507 446876836 /nfs/dbraw/zinc/87/68/36/446876836.db2.gz CPFDHQGEEQIDCB-CHWSQXEVSA-N 2 1 343.431 1.211 20 0 EDADMP CC[NH+](CC)CCCN1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000368460996 446878573 /nfs/dbraw/zinc/87/85/73/446878573.db2.gz GDGOPAHUUUMXQM-ROUUACIJSA-N 2 1 326.529 1.055 20 0 EDADMP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC000420925265 446895352 /nfs/dbraw/zinc/89/53/52/446895352.db2.gz VOEFVZBVWDAEDE-CRAIPNDOSA-N 2 1 332.444 1.902 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC000420925265 446895362 /nfs/dbraw/zinc/89/53/62/446895362.db2.gz VOEFVZBVWDAEDE-CRAIPNDOSA-N 2 1 332.444 1.902 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000375597827 446915588 /nfs/dbraw/zinc/91/55/88/446915588.db2.gz LOSHUZMWYPDXDC-BZSNNMDCSA-N 2 1 336.524 1.521 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000442763990 446957402 /nfs/dbraw/zinc/95/74/02/446957402.db2.gz SRGATBGRMOPQNN-DLBZAZTESA-N 2 1 330.476 1.313 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000442763990 446957405 /nfs/dbraw/zinc/95/74/05/446957405.db2.gz SRGATBGRMOPQNN-DLBZAZTESA-N 2 1 330.476 1.313 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCC(C)CC1 ZINC000377173651 446969982 /nfs/dbraw/zinc/96/99/82/446969982.db2.gz PJRIPSJUFMCEPZ-IXDOHACOSA-N 2 1 338.496 1.269 20 0 EDADMP C[N@H+]1CC[C@H](Nc2ccc3c(c2)CN(CC(N)=O)CC3)[C@H]2CCC[C@H]21 ZINC000368608364 446978444 /nfs/dbraw/zinc/97/84/44/446978444.db2.gz NYBRLJMVAONSEP-CEXWTWQISA-N 2 1 342.487 1.815 20 0 EDADMP C[N@@H+]1CC[C@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)[C@H]2CCC[C@H]21 ZINC000368608364 446978448 /nfs/dbraw/zinc/97/84/48/446978448.db2.gz NYBRLJMVAONSEP-CEXWTWQISA-N 2 1 342.487 1.815 20 0 EDADMP C[N@H+]1CC[C@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)[C@H]2CCC[C@H]21 ZINC000368608364 446978454 /nfs/dbraw/zinc/97/84/54/446978454.db2.gz NYBRLJMVAONSEP-CEXWTWQISA-N 2 1 342.487 1.815 20 0 EDADMP C[NH+]1CC[C@H](Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)[C@H]2CCC[C@H]21 ZINC000368608364 446978460 /nfs/dbraw/zinc/97/84/60/446978460.db2.gz NYBRLJMVAONSEP-CEXWTWQISA-N 2 1 342.487 1.815 20 0 EDADMP C[NH+]1CC[C@H](Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)[C@H]2CCC[C@H]21 ZINC000368608364 446978467 /nfs/dbraw/zinc/97/84/67/446978467.db2.gz NYBRLJMVAONSEP-CEXWTWQISA-N 2 1 342.487 1.815 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000419166862 446984318 /nfs/dbraw/zinc/98/43/18/446984318.db2.gz HTLWIOSVXQWAES-OAGGEKHMSA-N 2 1 338.496 1.014 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000413092304 446995722 /nfs/dbraw/zinc/99/57/22/446995722.db2.gz FUKJWCPHZJWAFR-MRXNPFEDSA-N 2 1 334.464 1.520 20 0 EDADMP COCCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000443061713 447001827 /nfs/dbraw/zinc/00/18/27/447001827.db2.gz SKPKOAWCUMDQFL-AWEZNQCLSA-N 2 1 340.493 1.703 20 0 EDADMP COCCN(C(C)=O)c1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000443061713 447001833 /nfs/dbraw/zinc/00/18/33/447001833.db2.gz SKPKOAWCUMDQFL-AWEZNQCLSA-N 2 1 340.493 1.703 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368782126 447102246 /nfs/dbraw/zinc/10/22/46/447102246.db2.gz QPGWFZICZQUIDU-SJORKVTESA-N 2 1 331.460 1.870 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368782126 447102250 /nfs/dbraw/zinc/10/22/50/447102250.db2.gz QPGWFZICZQUIDU-SJORKVTESA-N 2 1 331.460 1.870 20 0 EDADMP O=C(CC1CC[NH+](CCC[NH+]2CCCCC2)CC1)N1CCOCC1 ZINC000368733061 447074350 /nfs/dbraw/zinc/07/43/50/447074350.db2.gz NACGQSWPJPRXTL-UHFFFAOYSA-N 2 1 337.508 1.823 20 0 EDADMP CCCN(CCC)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375906823 447139320 /nfs/dbraw/zinc/13/93/20/447139320.db2.gz QLWJCWLJUCUOTO-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP CCCN(CCC)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375906823 447139327 /nfs/dbraw/zinc/13/93/27/447139327.db2.gz QLWJCWLJUCUOTO-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NC[C@H](C)[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000455425113 447125424 /nfs/dbraw/zinc/12/54/24/447125424.db2.gz DHIZHHCKEWNDIB-ZDUSSCGKSA-N 2 1 334.468 1.312 20 0 EDADMP C[C@@H](C(=O)NC1CCN(c2[nH+]ccn2C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000377567130 447211170 /nfs/dbraw/zinc/21/11/70/447211170.db2.gz POKKAMKAUHIXBL-ZNMIVQPWSA-N 2 1 333.480 1.766 20 0 EDADMP C[C@@H](C(=O)NC1CCN(c2[nH+]ccn2C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000377567130 447211172 /nfs/dbraw/zinc/21/11/72/447211172.db2.gz POKKAMKAUHIXBL-ZNMIVQPWSA-N 2 1 333.480 1.766 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419480238 447212131 /nfs/dbraw/zinc/21/21/31/447212131.db2.gz MYUMAJUNRIUVTH-OAGGEKHMSA-N 2 1 338.496 1.143 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000375952688 447170181 /nfs/dbraw/zinc/17/01/81/447170181.db2.gz CQJJMXOTEMXQJD-RBUKOAKNSA-N 2 1 339.524 1.672 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419500876 447228335 /nfs/dbraw/zinc/22/83/35/447228335.db2.gz APGQUAFMPCYOPZ-AWEZNQCLSA-N 2 1 326.485 1.001 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)NC1CC[NH+](CC2CC2)CC1 ZINC000369028759 447274651 /nfs/dbraw/zinc/27/46/51/447274651.db2.gz SEWMHDXATCBYTP-IRXDYDNUSA-N 2 1 336.480 1.023 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000458810998 447480295 /nfs/dbraw/zinc/48/02/95/447480295.db2.gz OCIDZDHCTRPDHS-HZPDHXFCSA-N 2 1 328.501 1.253 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458810998 447480297 /nfs/dbraw/zinc/48/02/97/447480297.db2.gz OCIDZDHCTRPDHS-HZPDHXFCSA-N 2 1 328.501 1.253 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000458810998 447480300 /nfs/dbraw/zinc/48/03/00/447480300.db2.gz OCIDZDHCTRPDHS-HZPDHXFCSA-N 2 1 328.501 1.253 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000415499864 447481892 /nfs/dbraw/zinc/48/18/92/447481892.db2.gz LOFAVRLKBVGCTL-OAHLLOKOSA-N 2 1 346.475 1.984 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000415499864 447481899 /nfs/dbraw/zinc/48/18/99/447481899.db2.gz LOFAVRLKBVGCTL-OAHLLOKOSA-N 2 1 346.475 1.984 20 0 EDADMP O=C(NCCCCC[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458863488 447491406 /nfs/dbraw/zinc/49/14/06/447491406.db2.gz YSYHSDQVKCKRMX-QGZVFWFLSA-N 2 1 340.512 1.399 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1F ZINC000458867407 447493360 /nfs/dbraw/zinc/49/33/60/447493360.db2.gz QPTCIXLEVHKBBF-OWCLPIDISA-N 2 1 328.476 1.935 20 0 EDADMP CC(=O)[C@@](C)(O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000450470356 447499093 /nfs/dbraw/zinc/49/90/93/447499093.db2.gz ACBOAAPJOHMEBM-IBGZPJMESA-N 2 1 339.524 1.455 20 0 EDADMP CC(=O)[C@@](C)(O)C[N@H+](C)CCC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000450470356 447499101 /nfs/dbraw/zinc/49/91/01/447499101.db2.gz ACBOAAPJOHMEBM-IBGZPJMESA-N 2 1 339.524 1.455 20 0 EDADMP CC(=O)[C@@](C)(O)C[N@@H+](C)CCC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000450470356 447499105 /nfs/dbraw/zinc/49/91/05/447499105.db2.gz ACBOAAPJOHMEBM-IBGZPJMESA-N 2 1 339.524 1.455 20 0 EDADMP CC[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[N@H+]1C[C@H](C)O ZINC000426772212 447500951 /nfs/dbraw/zinc/50/09/51/447500951.db2.gz CHGQMANNRPFTJG-IRXDYDNUSA-N 2 1 339.524 1.802 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000398192203 447556243 /nfs/dbraw/zinc/55/62/43/447556243.db2.gz ZULCNDDGHVFCLA-WBVHZDCISA-N 2 1 331.460 1.392 20 0 EDADMP COC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000398105978 447556439 /nfs/dbraw/zinc/55/64/39/447556439.db2.gz BNODITHIRSXEAS-AEFFLSMTSA-N 2 1 345.487 1.782 20 0 EDADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1)CC(C)C ZINC000420031230 447556649 /nfs/dbraw/zinc/55/66/49/447556649.db2.gz RFAPOOZKDSUSHI-HNNXBMFYSA-N 2 1 340.512 1.056 20 0 EDADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H](C)C1 ZINC000459066138 447560689 /nfs/dbraw/zinc/56/06/89/447560689.db2.gz UURJXAIGFLDMEQ-MRMKYMKASA-N 2 1 334.508 1.983 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)C1 ZINC000459066138 447560695 /nfs/dbraw/zinc/56/06/95/447560695.db2.gz UURJXAIGFLDMEQ-MRMKYMKASA-N 2 1 334.508 1.983 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC000459066138 447560701 /nfs/dbraw/zinc/56/07/01/447560701.db2.gz UURJXAIGFLDMEQ-MRMKYMKASA-N 2 1 334.508 1.983 20 0 EDADMP C[N@@H+](CCCCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000459135936 447591200 /nfs/dbraw/zinc/59/12/00/447591200.db2.gz BCHKWQWDOCXSQE-MRXNPFEDSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000416318052 447571407 /nfs/dbraw/zinc/57/14/07/447571407.db2.gz XIFFZMJMNKGBCM-SJORKVTESA-N 2 1 345.487 1.810 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C[N@H+]1CCO ZINC000416318052 447571414 /nfs/dbraw/zinc/57/14/14/447571414.db2.gz XIFFZMJMNKGBCM-SJORKVTESA-N 2 1 345.487 1.810 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000420111434 447608927 /nfs/dbraw/zinc/60/89/27/447608927.db2.gz CKKWJARZAYJIHF-JKIFEVAISA-N 2 1 344.459 1.018 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000416825878 447692394 /nfs/dbraw/zinc/69/23/94/447692394.db2.gz BHUSBRMDEKDWTQ-BMFZPTHFSA-N 2 1 334.464 1.595 20 0 EDADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000416838084 447694209 /nfs/dbraw/zinc/69/42/09/447694209.db2.gz ISNBHKKMNAMUJZ-BPQIPLTHSA-N 2 1 330.476 1.887 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000420230516 447679202 /nfs/dbraw/zinc/67/92/02/447679202.db2.gz IUCVWLGLDTYFOU-AIANPOQGSA-N 2 1 333.480 2.266 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000457943904 447679531 /nfs/dbraw/zinc/67/95/31/447679531.db2.gz SWRNYYUAWKRUGB-VVLHAWIVSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000457943904 447679535 /nfs/dbraw/zinc/67/95/35/447679535.db2.gz SWRNYYUAWKRUGB-VVLHAWIVSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000457943904 447679536 /nfs/dbraw/zinc/67/95/36/447679536.db2.gz SWRNYYUAWKRUGB-VVLHAWIVSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@@H]1C[NH3+] ZINC000422638870 447683648 /nfs/dbraw/zinc/68/36/48/447683648.db2.gz ROFGBEHMAFMGNN-WBTNSWJXSA-N 2 1 331.460 1.932 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@@H]1C[NH3+] ZINC000422638870 447683652 /nfs/dbraw/zinc/68/36/52/447683652.db2.gz ROFGBEHMAFMGNN-WBTNSWJXSA-N 2 1 331.460 1.932 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NCCC[NH2+]Cc1cccnc1)c1ccco1 ZINC000416804951 447688863 /nfs/dbraw/zinc/68/88/63/447688863.db2.gz DHDGAMZXVLFGDP-MRXNPFEDSA-N 2 1 345.447 1.756 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H](C[NH3+])C2CCCC2)C[C@@H](C)O1 ZINC000416932821 447713913 /nfs/dbraw/zinc/71/39/13/447713913.db2.gz RFIJWWCKNKREKS-IIAWOOMASA-N 2 1 340.512 1.691 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[NH+]1CCOCC1 ZINC000416935303 447714512 /nfs/dbraw/zinc/71/45/12/447714512.db2.gz GDBFUDOXUCKXBW-CRAIPNDOSA-N 2 1 348.491 1.862 20 0 EDADMP C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@H]1C[NH3+] ZINC000417272482 447740570 /nfs/dbraw/zinc/74/05/70/447740570.db2.gz RBPBMDKRJQPJGY-UKRRQHHQSA-N 2 1 336.505 1.733 20 0 EDADMP C[C@@H]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@H]1C[NH3+] ZINC000417272482 447740577 /nfs/dbraw/zinc/74/05/77/447740577.db2.gz RBPBMDKRJQPJGY-UKRRQHHQSA-N 2 1 336.505 1.733 20 0 EDADMP COCCC[N@H+](C)CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790788 447751137 /nfs/dbraw/zinc/75/11/37/447751137.db2.gz XYOFULPXMUCNER-MJGOQNOKSA-N 2 1 333.476 1.800 20 0 EDADMP COCCC[N@@H+](C)CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790788 447751141 /nfs/dbraw/zinc/75/11/41/447751141.db2.gz XYOFULPXMUCNER-MJGOQNOKSA-N 2 1 333.476 1.800 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459730485 447754078 /nfs/dbraw/zinc/75/40/78/447754078.db2.gz KGJFDQFCCYBOIX-MRXNPFEDSA-N 2 1 333.476 1.975 20 0 EDADMP C[C@@H]([NH2+]CCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422838940 447765728 /nfs/dbraw/zinc/76/57/28/447765728.db2.gz YUALRZPEYIRCQX-UYAOXDASSA-N 2 1 330.520 1.782 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000451822491 447756327 /nfs/dbraw/zinc/75/63/27/447756327.db2.gz HKSTZCITIPXXRK-GOSISDBHSA-N 2 1 345.487 1.654 20 0 EDADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422824986 447761210 /nfs/dbraw/zinc/76/12/10/447761210.db2.gz OUIFWBHKETXGAJ-IPMKNSEASA-N 3 1 347.503 1.874 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000430554913 447777550 /nfs/dbraw/zinc/77/75/50/447777550.db2.gz WKKLOINMALAYEN-CVEARBPZSA-N 2 1 348.466 1.534 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000430554913 447777556 /nfs/dbraw/zinc/77/75/56/447777556.db2.gz WKKLOINMALAYEN-CVEARBPZSA-N 2 1 348.466 1.534 20 0 EDADMP CC[C@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422963539 447782211 /nfs/dbraw/zinc/78/22/11/447782211.db2.gz GFNORDDHXXBFIC-HSALFYBXSA-N 2 1 331.504 1.916 20 0 EDADMP C[C@@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)c1c[nH+]ccc1N ZINC000423105449 447806117 /nfs/dbraw/zinc/80/61/17/447806117.db2.gz NIYMZKGJMCJVBY-QWQRMKEZSA-N 2 1 328.464 1.961 20 0 EDADMP C[NH+](C)CCOCCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000471635110 447806811 /nfs/dbraw/zinc/80/68/11/447806811.db2.gz HZEDCOLKJVSIRM-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000487525490 447834388 /nfs/dbraw/zinc/83/43/88/447834388.db2.gz ZWMWJAMDDHHFEH-GVDBMIGSSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000487525490 447834389 /nfs/dbraw/zinc/83/43/89/447834389.db2.gz ZWMWJAMDDHHFEH-GVDBMIGSSA-N 2 1 338.496 1.080 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487692857 447836373 /nfs/dbraw/zinc/83/63/73/447836373.db2.gz SFZTVUTUTPSOPE-HZPDHXFCSA-N 2 1 326.485 1.004 20 0 EDADMP CCOC(=O)N1CCC([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496711539 447853696 /nfs/dbraw/zinc/85/36/96/447853696.db2.gz CRUIWYQLVGDKHN-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496598439 447829518 /nfs/dbraw/zinc/82/95/18/447829518.db2.gz CUZRWRILHJCTLV-ZQIUZPCESA-N 2 1 327.469 1.431 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496598439 447829519 /nfs/dbraw/zinc/82/95/19/447829519.db2.gz CUZRWRILHJCTLV-ZQIUZPCESA-N 2 1 327.469 1.431 20 0 EDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000530355024 447868604 /nfs/dbraw/zinc/86/86/04/447868604.db2.gz VGQZEAHRKIHQMO-AWEZNQCLSA-N 2 1 348.472 1.853 20 0 EDADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000523320770 447878718 /nfs/dbraw/zinc/87/87/18/447878718.db2.gz YZNOLGYUPHAUKV-MSOLQXFVSA-N 2 1 345.491 1.782 20 0 EDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000575741006 447886507 /nfs/dbraw/zinc/88/65/07/447886507.db2.gz QGJNFFDJIKOCNG-MRXNPFEDSA-N 2 1 348.495 1.539 20 0 EDADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1)c1ccccc1 ZINC000523665622 447897335 /nfs/dbraw/zinc/89/73/35/447897335.db2.gz MDLWEXJINKIBOO-SJLPKXTDSA-N 2 1 345.487 1.954 20 0 EDADMP COCC[N@H+](CC(C)C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496783791 447911250 /nfs/dbraw/zinc/91/12/50/447911250.db2.gz HFNAFGWFYCUHDX-KRWDZBQOSA-N 2 1 325.453 1.465 20 0 EDADMP COCC[N@@H+](CC(C)C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496783791 447911251 /nfs/dbraw/zinc/91/12/51/447911251.db2.gz HFNAFGWFYCUHDX-KRWDZBQOSA-N 2 1 325.453 1.465 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000524285531 447923525 /nfs/dbraw/zinc/92/35/25/447923525.db2.gz VLPNTLVRSXKAIY-KRWDZBQOSA-N 2 1 348.516 1.459 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000524285531 447923528 /nfs/dbraw/zinc/92/35/28/447923528.db2.gz VLPNTLVRSXKAIY-KRWDZBQOSA-N 2 1 348.516 1.459 20 0 EDADMP C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000575894909 447923829 /nfs/dbraw/zinc/92/38/29/447923829.db2.gz NMUWVTXQXBWAFT-IBGZPJMESA-N 2 1 346.475 1.764 20 0 EDADMP CN(C)c1nc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000491271656 447978667 /nfs/dbraw/zinc/97/86/67/447978667.db2.gz OQEVPJMHDZYJNH-LJQANCHMSA-N 2 1 341.459 1.616 20 0 EDADMP CN(C)c1nc(N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000491271656 447978671 /nfs/dbraw/zinc/97/86/71/447978671.db2.gz OQEVPJMHDZYJNH-LJQANCHMSA-N 2 1 341.459 1.616 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](COC)C(C)C ZINC000525304132 447993525 /nfs/dbraw/zinc/99/35/25/447993525.db2.gz ZKYQZWLDIHFOAS-SJORKVTESA-N 2 1 342.528 1.715 20 0 EDADMP COC[C@]1(CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CCC[NH2+]1 ZINC000576568920 448084808 /nfs/dbraw/zinc/08/48/08/448084808.db2.gz DSPIZMONSHDRHM-IEBWSBKVSA-N 2 1 346.475 1.453 20 0 EDADMP COC[C@]1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CCC[NH2+]1 ZINC000576568920 448084812 /nfs/dbraw/zinc/08/48/12/448084812.db2.gz DSPIZMONSHDRHM-IEBWSBKVSA-N 2 1 346.475 1.453 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571438801 448155112 /nfs/dbraw/zinc/15/51/12/448155112.db2.gz FTPLPSBIDZYUSU-BVBHFADKSA-N 2 1 345.487 1.780 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571438801 448155116 /nfs/dbraw/zinc/15/51/16/448155116.db2.gz FTPLPSBIDZYUSU-BVBHFADKSA-N 2 1 345.487 1.780 20 0 EDADMP COC(=O)c1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)[nH]1 ZINC000576689333 448114806 /nfs/dbraw/zinc/11/48/06/448114806.db2.gz NLTSEARYSADPJB-UHFFFAOYSA-N 2 1 343.387 1.200 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000526981207 448131541 /nfs/dbraw/zinc/13/15/41/448131541.db2.gz UHZARDDAQHTUQM-CYBMUJFWSA-N 2 1 344.463 1.827 20 0 EDADMP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000571315985 448135486 /nfs/dbraw/zinc/13/54/86/448135486.db2.gz QQDJXXDMRPJDPO-HXUWFJFHSA-N 2 1 349.519 1.700 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497029962 448138466 /nfs/dbraw/zinc/13/84/66/448138466.db2.gz UCESPPWEXPEOPQ-HZPDHXFCSA-N 2 1 343.512 1.878 20 0 EDADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497029962 448138468 /nfs/dbraw/zinc/13/84/68/448138468.db2.gz UCESPPWEXPEOPQ-HZPDHXFCSA-N 2 1 343.512 1.878 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497029962 448138470 /nfs/dbraw/zinc/13/84/70/448138470.db2.gz UCESPPWEXPEOPQ-HZPDHXFCSA-N 2 1 343.512 1.878 20 0 EDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497029962 448138472 /nfs/dbraw/zinc/13/84/72/448138472.db2.gz UCESPPWEXPEOPQ-HZPDHXFCSA-N 2 1 343.512 1.878 20 0 EDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497029962 448138475 /nfs/dbraw/zinc/13/84/75/448138475.db2.gz UCESPPWEXPEOPQ-HZPDHXFCSA-N 2 1 343.512 1.878 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)/C=C\C[NH+](C)C)C2)cc(OC)c1 ZINC000492074080 448175182 /nfs/dbraw/zinc/17/51/82/448175182.db2.gz RMCWIRWCBTWYSA-KJPDOMRESA-N 2 1 347.459 1.512 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000514775046 448200272 /nfs/dbraw/zinc/20/02/72/448200272.db2.gz VYMMMMFPHZJXDN-CYBMUJFWSA-N 2 1 329.404 1.073 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)NC(=O)CO2 ZINC000571904238 448232794 /nfs/dbraw/zinc/23/27/94/448232794.db2.gz QMRFRKSUJBKLMD-HFTRVMKXSA-N 2 1 345.443 1.701 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2c(c1)NC(=O)CO2 ZINC000571904238 448232801 /nfs/dbraw/zinc/23/28/01/448232801.db2.gz QMRFRKSUJBKLMD-HFTRVMKXSA-N 2 1 345.443 1.701 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000514961967 448234805 /nfs/dbraw/zinc/23/48/05/448234805.db2.gz BXVMFYAYPRBEKL-BZSNNMDCSA-N 2 1 337.508 1.963 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532191504 448214125 /nfs/dbraw/zinc/21/41/25/448214125.db2.gz ILWRGHQRSHJOON-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000582473468 448246422 /nfs/dbraw/zinc/24/64/22/448246422.db2.gz ZBEOGCQBKPXETD-ZDUSSCGKSA-N 2 1 348.447 1.750 20 0 EDADMP Cc1ncc2n1CC[C@H](C(=O)N[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC000577252247 448247303 /nfs/dbraw/zinc/24/73/03/448247303.db2.gz YJLLKDCNMBEIBO-UHOSZYNNSA-N 2 1 338.455 1.968 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC000577252247 448247317 /nfs/dbraw/zinc/24/73/17/448247317.db2.gz YJLLKDCNMBEIBO-UHOSZYNNSA-N 2 1 338.455 1.968 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000527551246 448273209 /nfs/dbraw/zinc/27/32/09/448273209.db2.gz HDNHOXRXYHFYFX-OQIJWPOYSA-N 2 1 343.471 1.296 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000527551246 448273216 /nfs/dbraw/zinc/27/32/16/448273216.db2.gz HDNHOXRXYHFYFX-OQIJWPOYSA-N 2 1 343.471 1.296 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000527551246 448273221 /nfs/dbraw/zinc/27/32/21/448273221.db2.gz HDNHOXRXYHFYFX-OQIJWPOYSA-N 2 1 343.471 1.296 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000527551246 448273224 /nfs/dbraw/zinc/27/32/24/448273224.db2.gz HDNHOXRXYHFYFX-OQIJWPOYSA-N 2 1 343.471 1.296 20 0 EDADMP C[NH+]1CCN(CCNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1(C)C ZINC000577359098 448274180 /nfs/dbraw/zinc/27/41/80/448274180.db2.gz VPNZOIAOQPECMD-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[NH+]1CCC[C@@H](CCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000577359098 448274184 /nfs/dbraw/zinc/27/41/84/448274184.db2.gz VPNZOIAOQPECMD-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[NH+]1CCC[C@@H](CCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000577359098 448274191 /nfs/dbraw/zinc/27/41/91/448274191.db2.gz VPNZOIAOQPECMD-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[N@H+]1C1CC1 ZINC000515504727 448324317 /nfs/dbraw/zinc/32/43/17/448324317.db2.gz DELDBAUTSSNORH-KMFMINBZSA-N 2 1 337.533 1.945 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccn(C)n3)CC2)CC1 ZINC000572132683 448297791 /nfs/dbraw/zinc/29/77/91/448297791.db2.gz LGOGBWXHEODBSP-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H](NC(=O)C[NH2+]CC1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566185510 448408669 /nfs/dbraw/zinc/40/86/69/448408669.db2.gz JHUTYTDEYZDARR-YJBOKZPZSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H](NC(=O)C[NH2+]CC1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566185510 448408673 /nfs/dbraw/zinc/40/86/73/448408673.db2.gz JHUTYTDEYZDARR-YJBOKZPZSA-N 2 1 331.460 1.392 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])n1C ZINC000566192038 448409929 /nfs/dbraw/zinc/40/99/29/448409929.db2.gz HKOAFXYTXVSASM-MRXNPFEDSA-N 2 1 342.447 1.254 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[NH2+][C@H]3C)cc2)CC1 ZINC000572599589 448418368 /nfs/dbraw/zinc/41/83/68/448418368.db2.gz DQAQFXBIKJKWRN-KSSFIOAISA-N 2 1 344.459 1.287 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000582910614 448377370 /nfs/dbraw/zinc/37/73/70/448377370.db2.gz NBCCTUJHVGMION-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)c1ccccc1 ZINC000577759274 448381692 /nfs/dbraw/zinc/38/16/92/448381692.db2.gz YSMPMGCZBFFPJS-HKUYNNGSSA-N 2 1 331.460 1.252 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000572719282 448448000 /nfs/dbraw/zinc/44/80/00/448448000.db2.gz SBXSAULIZFEXDW-QAPCUYQASA-N 2 1 330.476 1.986 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000516653664 448458492 /nfs/dbraw/zinc/45/84/92/448458492.db2.gz PDXPKJLUAIVNMH-QZTJIDSGSA-N 2 1 332.492 1.465 20 0 EDADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000566448086 448476561 /nfs/dbraw/zinc/47/65/61/448476561.db2.gz SVDVXPDJFXTZOC-UHFFFAOYSA-N 2 1 347.463 1.093 20 0 EDADMP C[C@@H]1C[C@@H](CC[NH2+]CCC(=O)NC(N)=O)C[N@H+]1Cc1ccccc1 ZINC000591757046 448482128 /nfs/dbraw/zinc/48/21/28/448482128.db2.gz TXAQEWMQXBCXSG-GDBMZVCRSA-N 2 1 332.448 1.462 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528339611 448491923 /nfs/dbraw/zinc/49/19/23/448491923.db2.gz XYAQGJDPKNICHD-SFFUCWETSA-N 2 1 339.524 1.920 20 0 EDADMP CC[C@@H](CNC(=O)CC(F)(F)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000584358155 448498839 /nfs/dbraw/zinc/49/88/39/448498839.db2.gz KNJVQMAGWLWKLH-HNNXBMFYSA-N 2 1 325.403 1.924 20 0 EDADMP CC[C@@H](CNC(=O)CC(F)(F)C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000584358155 448498846 /nfs/dbraw/zinc/49/88/46/448498846.db2.gz KNJVQMAGWLWKLH-HNNXBMFYSA-N 2 1 325.403 1.924 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591865318 448508697 /nfs/dbraw/zinc/50/86/97/448508697.db2.gz QRTOHFUADPTFHO-CQSZACIVSA-N 2 1 325.403 1.807 20 0 EDADMP O=C1N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1CC[C@@H]1CC[NH2+]C1 ZINC000578349706 448525476 /nfs/dbraw/zinc/52/54/76/448525476.db2.gz NDAVPLPFORQABU-HNAYVOBHSA-N 2 1 342.443 1.183 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000566628132 448526168 /nfs/dbraw/zinc/52/61/68/448526168.db2.gz JJSJJHYQVVGIAC-HXUWFJFHSA-N 2 1 348.535 1.049 20 0 EDADMP CC[NH+](C)C[C@@H](O)CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000566628132 448526172 /nfs/dbraw/zinc/52/61/72/448526172.db2.gz JJSJJHYQVVGIAC-HXUWFJFHSA-N 2 1 348.535 1.049 20 0 EDADMP CC[NH+](C)C[C@@H](O)CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000566628132 448526177 /nfs/dbraw/zinc/52/61/77/448526177.db2.gz JJSJJHYQVVGIAC-HXUWFJFHSA-N 2 1 348.535 1.049 20 0 EDADMP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000537583422 448561800 /nfs/dbraw/zinc/56/18/00/448561800.db2.gz RNOCMHWTXMDIPD-GXTWGEPZSA-N 2 1 344.463 1.447 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000537583422 448561806 /nfs/dbraw/zinc/56/18/06/448561806.db2.gz RNOCMHWTXMDIPD-GXTWGEPZSA-N 2 1 344.463 1.447 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCO[C@H]3C3CC3)CC2)CC1 ZINC000584538810 448564187 /nfs/dbraw/zinc/56/41/87/448564187.db2.gz BPWRKHPHQDOMAP-MOPGFXCFSA-N 2 1 349.519 1.866 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000517385521 448578651 /nfs/dbraw/zinc/57/86/51/448578651.db2.gz VBILFTGQCHTTRF-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP O[C@@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)CC1(O)CCC1 ZINC000528491429 448551675 /nfs/dbraw/zinc/55/16/75/448551675.db2.gz SBHYBYOLNFLFKH-CEXWTWQISA-N 2 1 330.472 1.716 20 0 EDADMP O[C@@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)CC1(O)CCC1 ZINC000528491429 448551682 /nfs/dbraw/zinc/55/16/82/448551682.db2.gz SBHYBYOLNFLFKH-CEXWTWQISA-N 2 1 330.472 1.716 20 0 EDADMP O[C@@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)CC1(O)CCC1 ZINC000528491429 448551689 /nfs/dbraw/zinc/55/16/89/448551689.db2.gz SBHYBYOLNFLFKH-CEXWTWQISA-N 2 1 330.472 1.716 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000578730489 448619075 /nfs/dbraw/zinc/61/90/75/448619075.db2.gz GKXJVLMILCABGT-CVEARBPZSA-N 2 1 339.528 1.090 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C ZINC000517414800 448581993 /nfs/dbraw/zinc/58/19/93/448581993.db2.gz BPKARGDPOGRAAD-IXDOHACOSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000517414800 448581994 /nfs/dbraw/zinc/58/19/94/448581994.db2.gz BPKARGDPOGRAAD-IXDOHACOSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000517414800 448581997 /nfs/dbraw/zinc/58/19/97/448581997.db2.gz BPKARGDPOGRAAD-IXDOHACOSA-N 2 1 340.512 1.203 20 0 EDADMP C[NH+](C)CCCOc1cnccc1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000517585655 448597634 /nfs/dbraw/zinc/59/76/34/448597634.db2.gz GPPKQCFCLIGHNA-UHFFFAOYSA-N 2 1 348.491 1.760 20 0 EDADMP CCOC[C@H]1C[N@@H+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CCO1 ZINC000528718630 448642886 /nfs/dbraw/zinc/64/28/86/448642886.db2.gz HLZASHXPJSZBQY-DLBZAZTESA-N 2 1 347.459 1.751 20 0 EDADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000584860323 448659573 /nfs/dbraw/zinc/65/95/73/448659573.db2.gz BILGYRSCEBKHRD-CVEARBPZSA-N 2 1 343.537 1.655 20 0 EDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000584860323 448659576 /nfs/dbraw/zinc/65/95/76/448659576.db2.gz BILGYRSCEBKHRD-CVEARBPZSA-N 2 1 343.537 1.655 20 0 EDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000584860323 448659582 /nfs/dbraw/zinc/65/95/82/448659582.db2.gz BILGYRSCEBKHRD-CVEARBPZSA-N 2 1 343.537 1.655 20 0 EDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000584860323 448659587 /nfs/dbraw/zinc/65/95/87/448659587.db2.gz BILGYRSCEBKHRD-CVEARBPZSA-N 2 1 343.537 1.655 20 0 EDADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000573620624 448673501 /nfs/dbraw/zinc/67/35/01/448673501.db2.gz IREOFJUXLVAALS-LSDHHAIUSA-N 2 1 332.448 1.969 20 0 EDADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C[C@@H](C)C1 ZINC000567209427 448636003 /nfs/dbraw/zinc/63/60/03/448636003.db2.gz AMKCKPNWUAYOSZ-ZJOBFFGXSA-N 2 1 331.464 1.639 20 0 EDADMP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)C[C@@H](C)C1 ZINC000567209427 448636008 /nfs/dbraw/zinc/63/60/08/448636008.db2.gz AMKCKPNWUAYOSZ-ZJOBFFGXSA-N 2 1 331.464 1.639 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000579060618 448702650 /nfs/dbraw/zinc/70/26/50/448702650.db2.gz RIBZFIWGADLXJM-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000573776307 448707292 /nfs/dbraw/zinc/70/72/92/448707292.db2.gz BYVGJKGPHFOGMD-UHFFFAOYSA-N 2 1 332.492 1.506 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000567578317 448716662 /nfs/dbraw/zinc/71/66/62/448716662.db2.gz KMWUMLXZBJJQNL-SFHVURJKSA-N 2 1 345.491 1.782 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](OC)C(C)C)CC2)CC1 ZINC000573932179 448751979 /nfs/dbraw/zinc/75/19/79/448751979.db2.gz FFRRNTVEXXQKIK-GOSISDBHSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000529288877 448809369 /nfs/dbraw/zinc/80/93/69/448809369.db2.gz NPCCZDUOOJXHNN-OWCLPIDISA-N 2 1 326.485 1.125 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529298649 448811556 /nfs/dbraw/zinc/81/15/56/448811556.db2.gz MAELVRXMTWPTMO-HNNXBMFYSA-N 2 1 334.489 1.690 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529298649 448811559 /nfs/dbraw/zinc/81/15/59/448811559.db2.gz MAELVRXMTWPTMO-HNNXBMFYSA-N 2 1 334.489 1.690 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)CC3(C[NH3+])CC3)cc2)CC1 ZINC000574078230 448786582 /nfs/dbraw/zinc/78/65/82/448786582.db2.gz XHRBNFFFHZFGME-UHFFFAOYSA-N 2 1 330.476 1.179 20 0 EDADMP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000574198358 448815915 /nfs/dbraw/zinc/81/59/15/448815915.db2.gz XQLDYAIGZPUQJV-QGZVFWFLSA-N 3 1 346.519 1.385 20 0 EDADMP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000574198358 448815919 /nfs/dbraw/zinc/81/59/19/448815919.db2.gz XQLDYAIGZPUQJV-QGZVFWFLSA-N 3 1 346.519 1.385 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@H](c2ccccc2)C1 ZINC000529363095 448841435 /nfs/dbraw/zinc/84/14/35/448841435.db2.gz ZPCOQPREDVVVAA-IRXDYDNUSA-N 2 1 328.460 1.969 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@H](c2ccccc2)C1 ZINC000529363095 448841438 /nfs/dbraw/zinc/84/14/38/448841438.db2.gz ZPCOQPREDVVVAA-IRXDYDNUSA-N 2 1 328.460 1.969 20 0 EDADMP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000574365541 448855262 /nfs/dbraw/zinc/85/52/62/448855262.db2.gz VQOSUCXSCYYLOB-MRXNPFEDSA-N 2 1 331.464 1.855 20 0 EDADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000574365541 448855267 /nfs/dbraw/zinc/85/52/67/448855267.db2.gz VQOSUCXSCYYLOB-MRXNPFEDSA-N 2 1 331.464 1.855 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCO ZINC000568649319 448903119 /nfs/dbraw/zinc/90/31/19/448903119.db2.gz FAUMNYQGIGFXLZ-SJLPKXTDSA-N 2 1 331.460 1.034 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCO ZINC000568649319 448903123 /nfs/dbraw/zinc/90/31/23/448903123.db2.gz FAUMNYQGIGFXLZ-SJLPKXTDSA-N 2 1 331.460 1.034 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000568649319 448903128 /nfs/dbraw/zinc/90/31/28/448903128.db2.gz FAUMNYQGIGFXLZ-SJLPKXTDSA-N 2 1 331.460 1.034 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000568649319 448903133 /nfs/dbraw/zinc/90/31/33/448903133.db2.gz FAUMNYQGIGFXLZ-SJLPKXTDSA-N 2 1 331.460 1.034 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000574667592 448930140 /nfs/dbraw/zinc/93/01/40/448930140.db2.gz LOLAJAPPAJMBII-DLBZAZTESA-N 2 1 338.496 1.127 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000588816562 448934445 /nfs/dbraw/zinc/93/44/45/448934445.db2.gz YXBSLEYOYIJLBQ-LSDHHAIUSA-N 2 1 331.501 1.706 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)nn1 ZINC000574859216 448972405 /nfs/dbraw/zinc/97/24/05/448972405.db2.gz ODTYQFRJHJAQIF-HNNXBMFYSA-N 2 1 329.404 1.345 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000529830469 448974980 /nfs/dbraw/zinc/97/49/80/448974980.db2.gz GIEJHVMNYHAIOL-SJLPKXTDSA-N 2 1 333.476 1.972 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000529830469 448974982 /nfs/dbraw/zinc/97/49/82/448974982.db2.gz GIEJHVMNYHAIOL-SJLPKXTDSA-N 2 1 333.476 1.972 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)CC2)CC1 ZINC000574701989 448936876 /nfs/dbraw/zinc/93/68/76/448936876.db2.gz PXWIFAXECISPRM-YTQUADARSA-N 2 1 349.519 1.412 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nc(C)n(C)n3)CC2)CC1 ZINC000521460526 448990154 /nfs/dbraw/zinc/99/01/54/448990154.db2.gz DTEMDZCLBDOKKZ-UHFFFAOYSA-N 2 1 334.468 1.258 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000574919646 448991003 /nfs/dbraw/zinc/99/10/03/448991003.db2.gz HRBABUGRWWTLAW-ZIFCJYIRSA-N 2 1 344.503 1.701 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CCC[NH+](C)C)CC2)CC1 ZINC000582250661 449048526 /nfs/dbraw/zinc/04/85/26/449048526.db2.gz YPFMRFWFCNFDNG-UHFFFAOYSA-N 3 1 338.540 1.593 20 0 EDADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)n(C2CC[NH+](C)CC2)n1 ZINC000582278090 449053472 /nfs/dbraw/zinc/05/34/72/449053472.db2.gz FRWPDKQFNIIXHI-HNNXBMFYSA-N 2 1 334.468 1.674 20 0 EDADMP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000522147022 449056670 /nfs/dbraw/zinc/05/66/70/449056670.db2.gz LCXGCTUWGWPUMW-LJQANCHMSA-N 2 1 344.503 1.392 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000522147022 449056676 /nfs/dbraw/zinc/05/66/76/449056676.db2.gz LCXGCTUWGWPUMW-LJQANCHMSA-N 2 1 344.503 1.392 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000522147022 449056682 /nfs/dbraw/zinc/05/66/82/449056682.db2.gz LCXGCTUWGWPUMW-LJQANCHMSA-N 2 1 344.503 1.392 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592961613 449085136 /nfs/dbraw/zinc/08/51/36/449085136.db2.gz PVQWKSGMSXAUOI-HZPDHXFCSA-N 2 1 345.491 1.523 20 0 EDADMP C[N@H+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C2(CCCCC2)C1 ZINC000592960636 449085214 /nfs/dbraw/zinc/08/52/14/449085214.db2.gz AHMXVECPULXSEH-HNNXBMFYSA-N 2 1 345.491 1.810 20 0 EDADMP c1c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)nnn1-c1ccccc1 ZINC000530243691 449091830 /nfs/dbraw/zinc/09/18/30/449091830.db2.gz XJXLVHNYFHUGPM-IBGZPJMESA-N 2 1 341.459 1.858 20 0 EDADMP COC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]2CCCC[C@H]12 ZINC000595736214 449138934 /nfs/dbraw/zinc/13/89/34/449138934.db2.gz ZVFFHASLVRISFH-VQHPVUNQSA-N 2 1 326.481 1.741 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]2CCCC[C@H]12 ZINC000595736214 449138937 /nfs/dbraw/zinc/13/89/37/449138937.db2.gz ZVFFHASLVRISFH-VQHPVUNQSA-N 2 1 326.481 1.741 20 0 EDADMP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H]2CCCC[C@H]12 ZINC000595736214 449138938 /nfs/dbraw/zinc/13/89/38/449138938.db2.gz ZVFFHASLVRISFH-VQHPVUNQSA-N 2 1 326.481 1.741 20 0 EDADMP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H]2CCCC[C@H]12 ZINC000595736214 449138941 /nfs/dbraw/zinc/13/89/41/449138941.db2.gz ZVFFHASLVRISFH-VQHPVUNQSA-N 2 1 326.481 1.741 20 0 EDADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)C2)CC1 ZINC000602095136 449340533 /nfs/dbraw/zinc/34/05/33/449340533.db2.gz DGLQKAXZYKNJPQ-MSOLQXFVSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCC(CCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000590873521 449328569 /nfs/dbraw/zinc/32/85/69/449328569.db2.gz GGDNCWKSCFLVPP-KRWDZBQOSA-N 2 1 338.496 1.225 20 0 EDADMP CC[C@@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)[NH+](CC)CC ZINC000605427048 449382546 /nfs/dbraw/zinc/38/25/46/449382546.db2.gz NZNZNOPNIHIEGR-JKSUJKDBSA-N 2 1 338.496 1.048 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CC[NH+](C)CC1 ZINC000606702540 449511556 /nfs/dbraw/zinc/51/15/56/449511556.db2.gz ZVUOTNXOIUYWIG-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCC2 ZINC000594502067 449557988 /nfs/dbraw/zinc/55/79/88/449557988.db2.gz CKVCUCBAYDWBSV-SJLPKXTDSA-N 2 1 332.444 1.897 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)N1CCCC1=O ZINC000617504941 449650013 /nfs/dbraw/zinc/65/00/13/449650013.db2.gz QCZQNSMUBCPWRM-RDJZCZTQSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)N1CCCC1=O ZINC000617504941 449650019 /nfs/dbraw/zinc/65/00/19/449650019.db2.gz QCZQNSMUBCPWRM-RDJZCZTQSA-N 2 1 340.512 1.022 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000617506610 449655409 /nfs/dbraw/zinc/65/54/09/449655409.db2.gz SYBJZMAGQXCUCY-FUHWJXTLSA-N 2 1 338.540 1.782 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000617506610 449655416 /nfs/dbraw/zinc/65/54/16/449655416.db2.gz SYBJZMAGQXCUCY-FUHWJXTLSA-N 3 1 338.540 1.782 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000617506610 449655420 /nfs/dbraw/zinc/65/54/20/449655420.db2.gz SYBJZMAGQXCUCY-FUHWJXTLSA-N 3 1 338.540 1.782 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000617506610 449655428 /nfs/dbraw/zinc/65/54/28/449655428.db2.gz SYBJZMAGQXCUCY-FUHWJXTLSA-N 3 1 338.540 1.782 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000617506610 449655433 /nfs/dbraw/zinc/65/54/33/449655433.db2.gz SYBJZMAGQXCUCY-FUHWJXTLSA-N 3 1 338.540 1.782 20 0 EDADMP Cc1noc(C)c1C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507239 449656995 /nfs/dbraw/zinc/65/69/95/449656995.db2.gz NKAKOGLWDIBZPT-ZDUSSCGKSA-N 2 1 338.496 1.957 20 0 EDADMP Cc1noc(C)c1C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507239 449656998 /nfs/dbraw/zinc/65/69/98/449656998.db2.gz NKAKOGLWDIBZPT-ZDUSSCGKSA-N 2 1 338.496 1.957 20 0 EDADMP Cc1nn(C(C)(C)C)cc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507098 449657370 /nfs/dbraw/zinc/65/73/70/449657370.db2.gz HWURRFUWYMSTCG-AWEZNQCLSA-N 2 1 337.512 1.948 20 0 EDADMP Cc1nn(C(C)(C)C)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507098 449657377 /nfs/dbraw/zinc/65/73/77/449657377.db2.gz HWURRFUWYMSTCG-AWEZNQCLSA-N 2 1 337.512 1.948 20 0 EDADMP COC(=O)c1csc(C[NH2+]CCCCN2CC[NH+](C)CC2)c1 ZINC000602509385 449639010 /nfs/dbraw/zinc/63/90/10/449639010.db2.gz FDRNTYLMUCSUOF-UHFFFAOYSA-N 2 1 325.478 1.652 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn(-c2ccccc2)nn1 ZINC000617503966 449647702 /nfs/dbraw/zinc/64/77/02/449647702.db2.gz CJCNIHFAYRLFEN-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn(-c2ccccc2)nn1 ZINC000617503966 449647706 /nfs/dbraw/zinc/64/77/06/449647706.db2.gz CJCNIHFAYRLFEN-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000594926612 449810095 /nfs/dbraw/zinc/81/00/95/449810095.db2.gz UKJCHWSOCNKWCH-ZYSHUDEJSA-N 2 1 345.487 1.721 20 0 EDADMP CCc1ccc([C@@H](CNC(=O)CN2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000599291117 449866244 /nfs/dbraw/zinc/86/62/44/449866244.db2.gz CTCXZHGIXRHDAK-GOSISDBHSA-N 2 1 332.492 1.215 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)N(C)CC(=O)OC)CC1 ZINC000602948751 449950335 /nfs/dbraw/zinc/95/03/35/449950335.db2.gz DSYDULJJNUXTFQ-UHFFFAOYSA-N 2 1 339.480 1.348 20 0 EDADMP CCOC(=O)C[C@H](O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000599411155 449956208 /nfs/dbraw/zinc/95/62/08/449956208.db2.gz WBOSOJFWYSTDIY-HNNXBMFYSA-N 2 1 343.427 1.671 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)[C@@H](C)C1 ZINC000595251858 449975874 /nfs/dbraw/zinc/97/58/74/449975874.db2.gz YFFVQOWBHQHNPX-WMLDXEAASA-N 2 1 345.443 1.317 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)[C@@H](C)C1 ZINC000595251858 449975879 /nfs/dbraw/zinc/97/58/79/449975879.db2.gz YFFVQOWBHQHNPX-WMLDXEAASA-N 2 1 345.443 1.317 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3C[C@H]4CCCC[C@@H]4NC3=O)C2)CC1 ZINC000595312059 450025737 /nfs/dbraw/zinc/02/57/37/450025737.db2.gz KWNBTMXPGQJTEU-ZJPYXAASSA-N 2 1 334.508 1.146 20 0 EDADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613210442 450083250 /nfs/dbraw/zinc/08/32/50/450083250.db2.gz QKBAVIWWNJMGBW-NTZNESFSSA-N 2 1 331.243 1.884 20 0 EDADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613210442 450083257 /nfs/dbraw/zinc/08/32/57/450083257.db2.gz QKBAVIWWNJMGBW-NTZNESFSSA-N 2 1 331.243 1.884 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613581242 450235242 /nfs/dbraw/zinc/23/52/42/450235242.db2.gz ASBICEIXDDOANE-SFHVURJKSA-N 2 1 333.476 1.296 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000619898141 450364068 /nfs/dbraw/zinc/36/40/68/450364068.db2.gz DWKQKTIYZJJUPW-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000619898141 450364074 /nfs/dbraw/zinc/36/40/74/450364074.db2.gz DWKQKTIYZJJUPW-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000619898141 450364080 /nfs/dbraw/zinc/36/40/80/450364080.db2.gz DWKQKTIYZJJUPW-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000619898141 450364086 /nfs/dbraw/zinc/36/40/86/450364086.db2.gz DWKQKTIYZJJUPW-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)CC[N@@H+]1C ZINC000620722312 450531523 /nfs/dbraw/zinc/53/15/23/450531523.db2.gz NQHCHQMXEVDYTG-NZSAHSFTSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)CC[N@H+]1C ZINC000620722312 450531525 /nfs/dbraw/zinc/53/15/25/450531525.db2.gz NQHCHQMXEVDYTG-NZSAHSFTSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC[NH+]1C ZINC000620722312 450531527 /nfs/dbraw/zinc/53/15/27/450531527.db2.gz NQHCHQMXEVDYTG-NZSAHSFTSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC[NH+]1C ZINC000620722312 450531529 /nfs/dbraw/zinc/53/15/29/450531529.db2.gz NQHCHQMXEVDYTG-NZSAHSFTSA-N 2 1 344.503 1.259 20 0 EDADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)(N2CCOCC2)CC1 ZINC000623548821 450541195 /nfs/dbraw/zinc/54/11/95/450541195.db2.gz DNSRDVKCHVKCCO-QGZVFWFLSA-N 3 1 338.540 1.245 20 0 EDADMP CN1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CC1(C)C ZINC000623548821 450541197 /nfs/dbraw/zinc/54/11/97/450541197.db2.gz DNSRDVKCHVKCCO-QGZVFWFLSA-N 2 1 338.540 1.245 20 0 EDADMP C[C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)[NH+]1CCSCC1 ZINC000620932877 450564247 /nfs/dbraw/zinc/56/42/47/450564247.db2.gz ITJQNOPJOKQCOP-AWEZNQCLSA-N 2 1 325.522 1.662 20 0 EDADMP C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635069735 450621175 /nfs/dbraw/zinc/62/11/75/450621175.db2.gz QXHUITIMPILUTN-HKUYNNGSSA-N 2 1 331.460 1.203 20 0 EDADMP CC[C@@H](CO)N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000626209461 450625471 /nfs/dbraw/zinc/62/54/71/450625471.db2.gz VPXKCDDSRGZBMU-GBESFXJTSA-N 2 1 345.487 1.247 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000626209461 450625476 /nfs/dbraw/zinc/62/54/76/450625476.db2.gz VPXKCDDSRGZBMU-GBESFXJTSA-N 2 1 345.487 1.247 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000626209461 450625482 /nfs/dbraw/zinc/62/54/82/450625482.db2.gz VPXKCDDSRGZBMU-GBESFXJTSA-N 2 1 345.487 1.247 20 0 EDADMP CNS(=O)(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000621263383 450642755 /nfs/dbraw/zinc/64/27/55/450642755.db2.gz PQRJNUULTWUODE-HNNXBMFYSA-N 2 1 331.526 1.512 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)NC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000633081829 450668353 /nfs/dbraw/zinc/66/83/53/450668353.db2.gz MJBGCHLVXPTNDI-QZTJIDSGSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000633081829 450668358 /nfs/dbraw/zinc/66/83/58/450668358.db2.gz MJBGCHLVXPTNDI-QZTJIDSGSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000633081829 450668362 /nfs/dbraw/zinc/66/83/62/450668362.db2.gz MJBGCHLVXPTNDI-QZTJIDSGSA-N 2 1 330.476 1.963 20 0 EDADMP C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000624018555 450672295 /nfs/dbraw/zinc/67/22/95/450672295.db2.gz TYIMVHXKILPCMQ-PBHICJAKSA-N 2 1 332.448 1.745 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccncc2Br)C1 ZINC000629514430 450721751 /nfs/dbraw/zinc/72/17/51/450721751.db2.gz ZLUAITDLVLHUID-GFCCVEGCSA-N 2 1 341.253 1.131 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccncc2Br)C1 ZINC000629514430 450721754 /nfs/dbraw/zinc/72/17/54/450721754.db2.gz ZLUAITDLVLHUID-GFCCVEGCSA-N 2 1 341.253 1.131 20 0 EDADMP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC[N@H+](C2CCC2)C1 ZINC000633183027 450727488 /nfs/dbraw/zinc/72/74/88/450727488.db2.gz WPWLLOVSECLKTE-HNNXBMFYSA-N 2 1 333.480 1.391 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000629571226 450743137 /nfs/dbraw/zinc/74/31/37/450743137.db2.gz JTXZZMUHELNDKR-UHFFFAOYSA-N 2 1 333.476 1.981 20 0 EDADMP O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629579033 450745371 /nfs/dbraw/zinc/74/53/71/450745371.db2.gz YNZIKJULQCFERW-SJORKVTESA-N 2 1 332.448 1.339 20 0 EDADMP C[N@H+](CCOCC[NH3+])CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000629580196 450748171 /nfs/dbraw/zinc/74/81/71/450748171.db2.gz UTKGWDSODWAIOL-SFHVURJKSA-N 2 1 347.484 1.861 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000629580196 450748178 /nfs/dbraw/zinc/74/81/78/450748178.db2.gz UTKGWDSODWAIOL-SFHVURJKSA-N 2 1 347.484 1.861 20 0 EDADMP CN(CC(F)(F)F)C(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629590454 450753192 /nfs/dbraw/zinc/75/31/92/450753192.db2.gz BKPJFRIMGOWERW-ZDUSSCGKSA-N 2 1 337.386 1.098 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631787132 450777046 /nfs/dbraw/zinc/77/70/46/450777046.db2.gz AROCMXCSLCNWRA-MRXNPFEDSA-N 2 1 345.553 1.902 20 0 EDADMP C[C@@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000631843143 450813334 /nfs/dbraw/zinc/81/33/34/450813334.db2.gz JQBSEXVENDPTOA-ZIAGYGMSSA-N 2 1 339.867 1.704 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000631843143 450813339 /nfs/dbraw/zinc/81/33/39/450813339.db2.gz JQBSEXVENDPTOA-ZIAGYGMSSA-N 2 1 339.867 1.704 20 0 EDADMP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000621669289 450824730 /nfs/dbraw/zinc/82/47/30/450824730.db2.gz IXSOXJODJDCCGJ-SJLPKXTDSA-N 2 1 336.524 1.393 20 0 EDADMP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000621669289 450824732 /nfs/dbraw/zinc/82/47/32/450824732.db2.gz IXSOXJODJDCCGJ-SJLPKXTDSA-N 2 1 336.524 1.393 20 0 EDADMP CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000631829387 450801383 /nfs/dbraw/zinc/80/13/83/450801383.db2.gz PJJRXDHJSKOJEV-ARFHVFGLSA-N 2 1 349.479 1.450 20 0 EDADMP CCCn1nccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000631829387 450801389 /nfs/dbraw/zinc/80/13/89/450801389.db2.gz PJJRXDHJSKOJEV-ARFHVFGLSA-N 2 1 349.479 1.450 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000635357481 450878519 /nfs/dbraw/zinc/87/85/19/450878519.db2.gz NPCPJRWNWRRYBB-SFHVURJKSA-N 2 1 331.460 1.477 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000635357481 450878523 /nfs/dbraw/zinc/87/85/23/450878523.db2.gz NPCPJRWNWRRYBB-SFHVURJKSA-N 2 1 331.460 1.477 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@H+]2CCCOCC2)CC1)[NH+]1CCCCCC1 ZINC000627739906 450910974 /nfs/dbraw/zinc/91/09/74/450910974.db2.gz VCYKDBWXWRRBOG-KRWDZBQOSA-N 2 1 337.508 1.964 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624610480 450919818 /nfs/dbraw/zinc/91/98/18/450919818.db2.gz SXJLBPPGFFJIBR-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cn1 ZINC000633654490 450965419 /nfs/dbraw/zinc/96/54/19/450965419.db2.gz RQODESPBZZMMQX-GOSISDBHSA-N 2 1 341.459 1.449 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cn1 ZINC000633654490 450965425 /nfs/dbraw/zinc/96/54/25/450965425.db2.gz RQODESPBZZMMQX-GOSISDBHSA-N 2 1 341.459 1.449 20 0 EDADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632084424 451023931 /nfs/dbraw/zinc/02/39/31/451023931.db2.gz BOWMGIQEZMLKEN-QLFBSQMISA-N 2 1 331.526 1.366 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632084424 451023934 /nfs/dbraw/zinc/02/39/34/451023934.db2.gz BOWMGIQEZMLKEN-QLFBSQMISA-N 2 1 331.526 1.366 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000626947778 451026612 /nfs/dbraw/zinc/02/66/12/451026612.db2.gz YFHYLWRMDYOUIA-QLFBSQMISA-N 2 1 326.485 1.031 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627931058 451029548 /nfs/dbraw/zinc/02/95/48/451029548.db2.gz FRTNHYHZPTUCNF-UHFFFAOYSA-N 2 1 325.497 1.868 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000635542457 451038584 /nfs/dbraw/zinc/03/85/84/451038584.db2.gz CWXVOCWMWJOHGE-UHFFFAOYSA-N 2 1 347.507 1.493 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000626986989 451052833 /nfs/dbraw/zinc/05/28/33/451052833.db2.gz TULMULBFYRWPSX-FDYHWXHSSA-N 2 1 336.402 1.638 20 0 EDADMP CC[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626999789 451065338 /nfs/dbraw/zinc/06/53/38/451065338.db2.gz DLJXCKSDSRJTPK-SQNIBIBYSA-N 2 1 346.475 1.327 20 0 EDADMP CC[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626999789 451065341 /nfs/dbraw/zinc/06/53/41/451065341.db2.gz DLJXCKSDSRJTPK-SQNIBIBYSA-N 2 1 346.475 1.327 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000627002285 451067256 /nfs/dbraw/zinc/06/72/56/451067256.db2.gz USUYHVZJQCOYFF-OAHLLOKOSA-N 2 1 326.485 1.162 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000635583001 451082625 /nfs/dbraw/zinc/08/26/25/451082625.db2.gz OZMORPAQSNBHHT-UHFFFAOYSA-N 2 1 334.464 1.577 20 0 EDADMP C[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[NH+]1CCSCC1 ZINC000633944582 451119175 /nfs/dbraw/zinc/11/91/75/451119175.db2.gz JDQSFTMGEUVMOX-OAHLLOKOSA-N 2 1 325.522 1.901 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627111998 451129767 /nfs/dbraw/zinc/12/97/67/451129767.db2.gz XTQOICXXZVBEPF-ONMISFSYSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627111998 451129775 /nfs/dbraw/zinc/12/97/75/451129775.db2.gz XTQOICXXZVBEPF-ONMISFSYSA-N 2 1 338.496 1.125 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000622370755 451135722 /nfs/dbraw/zinc/13/57/22/451135722.db2.gz QCFLNUUURINUAS-UHFFFAOYSA-N 2 1 342.443 1.465 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000627179487 451168689 /nfs/dbraw/zinc/16/86/89/451168689.db2.gz UWECTBHTFXGLRS-UHFFFAOYSA-N 2 1 334.464 1.058 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCOCCC[NH3+] ZINC000627214668 451190949 /nfs/dbraw/zinc/19/09/49/451190949.db2.gz VMMKMAOAOBAQOU-SFHVURJKSA-N 2 1 348.491 1.515 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000635741066 451210863 /nfs/dbraw/zinc/21/08/63/451210863.db2.gz ASYQMSLHWZGHDT-FHWLQOOXSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000635741066 451210865 /nfs/dbraw/zinc/21/08/65/451210865.db2.gz ASYQMSLHWZGHDT-FHWLQOOXSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000635741066 451210869 /nfs/dbraw/zinc/21/08/69/451210869.db2.gz ASYQMSLHWZGHDT-FHWLQOOXSA-N 2 1 345.487 1.470 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC000635744249 451214396 /nfs/dbraw/zinc/21/43/96/451214396.db2.gz PPXIDXHOVSIAPY-UHFFFAOYSA-N 2 1 336.524 1.345 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CCCC[NH2+]1 ZINC000638088040 451253311 /nfs/dbraw/zinc/25/33/11/451253311.db2.gz YJSJRNBZNDLKBY-UZLBHIALSA-N 2 1 345.487 1.708 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638118840 451286587 /nfs/dbraw/zinc/28/65/87/451286587.db2.gz DTIMZTWKMRSDIK-RHSMWYFYSA-N 2 1 339.443 1.576 20 0 EDADMP Cc1nc[nH]c1CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638134563 451307548 /nfs/dbraw/zinc/30/75/48/451307548.db2.gz WNKLWXZDHHLWFY-UHFFFAOYSA-N 2 1 341.459 1.718 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C3=CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000638136878 451309763 /nfs/dbraw/zinc/30/97/63/451309763.db2.gz OKPOYQMRRYKKPQ-LJQANCHMSA-N 2 1 342.487 1.488 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000640451221 451324878 /nfs/dbraw/zinc/32/48/78/451324878.db2.gz LREGJKSKKAFNIG-GASCZTMLSA-N 2 1 338.496 1.399 20 0 EDADMP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000635914867 451360216 /nfs/dbraw/zinc/36/02/16/451360216.db2.gz QBZNLBIUUHKZEN-GOSISDBHSA-N 2 1 333.476 1.124 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000635914867 451360223 /nfs/dbraw/zinc/36/02/23/451360223.db2.gz QBZNLBIUUHKZEN-GOSISDBHSA-N 2 1 333.476 1.124 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)CC1 ZINC000640531918 451382448 /nfs/dbraw/zinc/38/24/48/451382448.db2.gz LDCQVIHNTIBQLO-UHFFFAOYSA-N 3 1 338.540 1.785 20 0 EDADMP CC[NH+]1CCC(NC(=O)CN(C)CCCC[NH+]2CCCCC2)CC1 ZINC000640531918 451382453 /nfs/dbraw/zinc/38/24/53/451382453.db2.gz LDCQVIHNTIBQLO-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638267083 451387681 /nfs/dbraw/zinc/38/76/81/451387681.db2.gz FDRKLEGMLGAYDG-ZWKOTPCHSA-N 3 1 344.503 1.614 20 0 EDADMP C[N@H+]1CCCC[C@H](CNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000628749187 451396834 /nfs/dbraw/zinc/39/68/34/451396834.db2.gz IIYUPJFIMVYRLD-QUCCMNQESA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000628749187 451396839 /nfs/dbraw/zinc/39/68/39/451396839.db2.gz IIYUPJFIMVYRLD-QUCCMNQESA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000628749187 451396846 /nfs/dbraw/zinc/39/68/46/451396846.db2.gz IIYUPJFIMVYRLD-QUCCMNQESA-N 2 1 345.487 1.472 20 0 EDADMP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000635976999 451413002 /nfs/dbraw/zinc/41/30/02/451413002.db2.gz SFEMESHKVFOZQJ-GOSISDBHSA-N 2 1 333.476 1.124 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000635976999 451413008 /nfs/dbraw/zinc/41/30/08/451413008.db2.gz SFEMESHKVFOZQJ-GOSISDBHSA-N 2 1 333.476 1.124 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000635976999 451413013 /nfs/dbraw/zinc/41/30/13/451413013.db2.gz SFEMESHKVFOZQJ-GOSISDBHSA-N 2 1 333.476 1.124 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000635976999 451413019 /nfs/dbraw/zinc/41/30/19/451413019.db2.gz SFEMESHKVFOZQJ-GOSISDBHSA-N 2 1 333.476 1.124 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640571571 451415667 /nfs/dbraw/zinc/41/56/67/451415667.db2.gz AJRBBADGQCBHOZ-UHFFFAOYSA-N 2 1 336.484 1.148 20 0 EDADMP C[C@H](NC(=O)c1cnc(C[NH3+])nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638309594 451423223 /nfs/dbraw/zinc/42/32/23/451423223.db2.gz SEAJZFDLTXYYFM-HOCLYGCPSA-N 2 1 339.443 1.576 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000638309797 451424583 /nfs/dbraw/zinc/42/45/83/451424583.db2.gz PIVRDJQFSYZYBE-MKXGPGLRSA-N 2 1 343.471 1.616 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000638367272 451464529 /nfs/dbraw/zinc/46/45/29/451464529.db2.gz UDVPAVHOWJUULC-CYBMUJFWSA-N 2 1 329.466 1.671 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CCO1 ZINC000640618360 451465745 /nfs/dbraw/zinc/46/57/45/451465745.db2.gz HPIPPTYLCXLDFK-KRWDZBQOSA-N 2 1 349.479 1.718 20 0 EDADMP C[C@@](O)(C[C@@H](O)C[NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000634702554 451477126 /nfs/dbraw/zinc/47/71/26/451477126.db2.gz IIULUXKHCLAGMQ-IAGOWNOFSA-N 2 1 326.481 1.133 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000634712760 451492152 /nfs/dbraw/zinc/49/21/52/451492152.db2.gz LHCRPRXZFBZKPM-RBUKOAKNSA-N 2 1 348.487 1.391 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)CC(C)(C)C ZINC000638341170 451444886 /nfs/dbraw/zinc/44/48/86/451444886.db2.gz NSZWCSONQKQRFK-NVXWUHKLSA-N 2 1 325.497 1.709 20 0 EDADMP OC1CC[NH+](CCCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634718678 451498101 /nfs/dbraw/zinc/49/81/01/451498101.db2.gz HQJMXTPECIIAEB-HXUWFJFHSA-N 2 1 347.503 1.060 20 0 EDADMP OCCC[N@H+]1CCC[C@@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634720268 451498919 /nfs/dbraw/zinc/49/89/19/451498919.db2.gz HPQJDAYCJZWOSG-WOJBJXKFSA-N 2 1 347.503 1.060 20 0 EDADMP OCCC[NH+]1CCC[C@@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634720268 451498921 /nfs/dbraw/zinc/49/89/21/451498921.db2.gz HPQJDAYCJZWOSG-WOJBJXKFSA-N 2 1 347.503 1.060 20 0 EDADMP OCCC[NH+]1CCC[C@@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634720268 451498929 /nfs/dbraw/zinc/49/89/29/451498929.db2.gz HPQJDAYCJZWOSG-WOJBJXKFSA-N 2 1 347.503 1.060 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)[C@]12CCCO2 ZINC000638618505 451611613 /nfs/dbraw/zinc/61/16/13/451611613.db2.gz IFVOPDPVCOLSOH-WNRNVDISSA-N 2 1 326.481 1.540 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(-c3cccc(C[NH3+])c3)nn2)CC1 ZINC000640831885 451618092 /nfs/dbraw/zinc/61/80/92/451618092.db2.gz ZGKSJRIVUMUTLZ-CQSZACIVSA-N 2 1 342.447 1.129 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCC34CC(C3)C[NH2+]4)c2)C1 ZINC000634996038 451641384 /nfs/dbraw/zinc/64/13/84/451641384.db2.gz XMCPSQZWUHLRMD-FDYSRKEFSA-N 2 1 342.487 1.226 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@H]2CC)[C@@H](C)C1 ZINC000631325725 451696371 /nfs/dbraw/zinc/69/63/71/451696371.db2.gz BBFKWSPDFMTKCE-MHORFTMASA-N 2 1 339.524 1.970 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@H]2CC)[C@@H](C)C1 ZINC000631325725 451696375 /nfs/dbraw/zinc/69/63/75/451696375.db2.gz BBFKWSPDFMTKCE-MHORFTMASA-N 2 1 339.524 1.970 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@H]2CC)[C@@H](C)C1 ZINC000631325725 451696379 /nfs/dbraw/zinc/69/63/79/451696379.db2.gz BBFKWSPDFMTKCE-MHORFTMASA-N 2 1 339.524 1.970 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCCCC[C@H]([NH3+])C3)cc2)CC1 ZINC000638815123 451699079 /nfs/dbraw/zinc/69/90/79/451699079.db2.gz AMYBBZYTKMVWSM-IBGZPJMESA-N 2 1 344.503 1.778 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000638819995 451701267 /nfs/dbraw/zinc/70/12/67/451701267.db2.gz OHUADLLOJCIAMX-VQHPVUNQSA-N 2 1 325.497 1.850 20 0 EDADMP CCN1CC[NH+](CCC(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000638877756 451716747 /nfs/dbraw/zinc/71/67/47/451716747.db2.gz OLRFLRGKRXGDGU-SFHVURJKSA-N 2 1 332.492 1.090 20 0 EDADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCCC(=O)N2)CC1 ZINC000638729360 451668412 /nfs/dbraw/zinc/66/84/12/451668412.db2.gz OPYXNRSTMOQZSQ-NVXWUHKLSA-N 2 1 325.497 1.913 20 0 EDADMP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000638732439 451669878 /nfs/dbraw/zinc/66/98/78/451669878.db2.gz CFSPMYJOGPXOSJ-UHFFFAOYSA-N 2 1 337.489 1.831 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC000639001672 451750565 /nfs/dbraw/zinc/75/05/65/451750565.db2.gz MANVCHOKMAZRLI-AOIWGVFYSA-N 2 1 331.460 1.453 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000637207475 451756474 /nfs/dbraw/zinc/75/64/74/451756474.db2.gz IRWQHODBFXZUIH-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP Cc1[nH+]ccn1CCCn1cc(COc2ccc(C[NH3+])cc2)nn1 ZINC000641150056 451762596 /nfs/dbraw/zinc/76/25/96/451762596.db2.gz SOIJQAHFFVJFPA-UHFFFAOYSA-N 2 1 326.404 1.911 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000641193803 451775192 /nfs/dbraw/zinc/77/51/92/451775192.db2.gz BMQZGBPVKGMTRR-NNXHMXCWSA-N 2 1 338.496 1.540 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000641193803 451775194 /nfs/dbraw/zinc/77/51/94/451775194.db2.gz BMQZGBPVKGMTRR-NNXHMXCWSA-N 2 1 338.496 1.540 20 0 EDADMP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000639338703 451834275 /nfs/dbraw/zinc/83/42/75/451834275.db2.gz VBKCJUOGAGUYAN-MRXNPFEDSA-N 2 1 337.489 1.546 20 0 EDADMP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000639338703 451834280 /nfs/dbraw/zinc/83/42/80/451834280.db2.gz VBKCJUOGAGUYAN-MRXNPFEDSA-N 2 1 337.489 1.546 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000644521963 451837596 /nfs/dbraw/zinc/83/75/96/451837596.db2.gz JTTQTMYGAYXDPA-IAGOWNOFSA-N 2 1 328.497 1.645 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)C1CC1 ZINC000644549439 451855165 /nfs/dbraw/zinc/85/51/65/451855165.db2.gz CMSWFPMLMAWPQM-ZFWWWQNUSA-N 2 1 325.403 1.588 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)C1CC1 ZINC000644549439 451855172 /nfs/dbraw/zinc/85/51/72/451855172.db2.gz CMSWFPMLMAWPQM-ZFWWWQNUSA-N 2 1 325.403 1.588 20 0 EDADMP CNC(=O)C1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639443209 451872188 /nfs/dbraw/zinc/87/21/88/451872188.db2.gz YXTPHTLLCHWMSJ-LJQANCHMSA-N 2 1 331.460 1.081 20 0 EDADMP CNC(=O)C1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639443209 451872194 /nfs/dbraw/zinc/87/21/94/451872194.db2.gz YXTPHTLLCHWMSJ-LJQANCHMSA-N 2 1 331.460 1.081 20 0 EDADMP CC(C)[NH+](CCCNC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000644581369 451874422 /nfs/dbraw/zinc/87/44/22/451874422.db2.gz GHOCPGRSLGZRTQ-KURKYZTESA-N 2 1 329.529 1.555 20 0 EDADMP C[NH+](C)CC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639453554 451876045 /nfs/dbraw/zinc/87/60/45/451876045.db2.gz NOSIYCNDBHPMAY-HXUWFJFHSA-N 3 1 331.504 1.897 20 0 EDADMP C[NH+](C)CC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639453554 451876052 /nfs/dbraw/zinc/87/60/52/451876052.db2.gz NOSIYCNDBHPMAY-HXUWFJFHSA-N 3 1 331.504 1.897 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000639473202 451885388 /nfs/dbraw/zinc/88/53/88/451885388.db2.gz QUNHPYWVFBZCSZ-BBWFWOEESA-N 2 1 332.496 1.256 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000639473202 451885390 /nfs/dbraw/zinc/88/53/90/451885390.db2.gz QUNHPYWVFBZCSZ-BBWFWOEESA-N 2 1 332.496 1.256 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000637470888 451889011 /nfs/dbraw/zinc/88/90/11/451889011.db2.gz PVMYHOQWNXMMSL-KRWDZBQOSA-N 2 1 339.528 1.186 20 0 EDADMP CNC(=O)C1CCC([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644621832 451899857 /nfs/dbraw/zinc/89/98/57/451899857.db2.gz QODLKZGSTFSVBN-ABHNRTSZSA-N 2 1 333.476 1.374 20 0 EDADMP CNC(=O)C1CCC([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644621832 451899859 /nfs/dbraw/zinc/89/98/59/451899859.db2.gz QODLKZGSTFSVBN-ABHNRTSZSA-N 2 1 333.476 1.374 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642645155 451905555 /nfs/dbraw/zinc/90/55/55/451905555.db2.gz SPPAXQVCZZDETF-HZPDHXFCSA-N 2 1 338.496 1.016 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2cncn2C1 ZINC000649210874 451907264 /nfs/dbraw/zinc/90/72/64/451907264.db2.gz PXCFIYKGILPFSK-AEFFLSMTSA-N 2 1 347.507 1.320 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000642684761 451915758 /nfs/dbraw/zinc/91/57/58/451915758.db2.gz CQWIGUHTSAMLQY-HUUCEWRRSA-N 2 1 346.475 1.141 20 0 EDADMP OCCN(Cc1cccnc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639517177 451918166 /nfs/dbraw/zinc/91/81/66/451918166.db2.gz GAGFGZSMKHPIMK-FQEVSTJZSA-N 2 1 341.455 1.513 20 0 EDADMP CC(C)(CO)[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639531208 451927491 /nfs/dbraw/zinc/92/74/91/451927491.db2.gz XJPYQYULWJMIHO-FQEVSTJZSA-N 2 1 347.503 1.012 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000642732166 451941495 /nfs/dbraw/zinc/94/14/95/451941495.db2.gz LFORTUXZNQRGIC-OAHLLOKOSA-N 2 1 338.496 1.016 20 0 EDADMP C[C@H](C(=O)N1CC[NH2+]CC1(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000649273472 451944283 /nfs/dbraw/zinc/94/42/83/451944283.db2.gz LUUUQWBLSDXEJM-OAHLLOKOSA-N 2 1 348.466 1.547 20 0 EDADMP CC[N@@H+](CCCNC(=O)C(=O)N(C)CC[NH+](C)C)C1CCCCC1 ZINC000653440054 451953293 /nfs/dbraw/zinc/95/32/93/451953293.db2.gz SABMTGQMEBQXNW-UHFFFAOYSA-N 2 1 340.512 1.167 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646940610 451955833 /nfs/dbraw/zinc/95/58/33/451955833.db2.gz JAYOSJFVDOFMIO-QUCCMNQESA-N 2 1 347.503 1.370 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000644732087 451959034 /nfs/dbraw/zinc/95/90/34/451959034.db2.gz FAAMQHIXJWXASJ-UFYCRDLUSA-N 2 1 329.488 1.913 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000644732087 451959041 /nfs/dbraw/zinc/95/90/41/451959041.db2.gz FAAMQHIXJWXASJ-UFYCRDLUSA-N 2 1 329.488 1.913 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000644732087 451959049 /nfs/dbraw/zinc/95/90/49/451959049.db2.gz FAAMQHIXJWXASJ-UFYCRDLUSA-N 2 1 329.488 1.913 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649305098 451982089 /nfs/dbraw/zinc/98/20/89/451982089.db2.gz CVMICXFENDASER-UYAOXDASSA-N 2 1 345.487 1.783 20 0 EDADMP CN(C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000637669889 452011880 /nfs/dbraw/zinc/01/18/80/452011880.db2.gz SKLOFVIYRZUPJS-KRWDZBQOSA-N 2 1 346.479 1.850 20 0 EDADMP C[N@H+]1CC[C@](N)(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000649332856 452014275 /nfs/dbraw/zinc/01/42/75/452014275.db2.gz NMNYAVAZYWPCAG-AQDPXUSMSA-N 2 1 342.487 1.331 20 0 EDADMP C[NH+]1CC[C@](N)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000649332856 452014280 /nfs/dbraw/zinc/01/42/80/452014280.db2.gz NMNYAVAZYWPCAG-AQDPXUSMSA-N 2 1 342.487 1.331 20 0 EDADMP C[NH+]1CC[C@](N)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000649332856 452014287 /nfs/dbraw/zinc/01/42/87/452014287.db2.gz NMNYAVAZYWPCAG-AQDPXUSMSA-N 2 1 342.487 1.331 20 0 EDADMP CN1CC[C@]([NH3+])(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000649332856 452014292 /nfs/dbraw/zinc/01/42/92/452014292.db2.gz NMNYAVAZYWPCAG-AQDPXUSMSA-N 2 1 342.487 1.331 20 0 EDADMP CN1CC[C@]([NH3+])(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000649332856 452014300 /nfs/dbraw/zinc/01/43/00/452014300.db2.gz NMNYAVAZYWPCAG-AQDPXUSMSA-N 2 1 342.487 1.331 20 0 EDADMP COC[C@]1(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649343644 452024601 /nfs/dbraw/zinc/02/46/01/452024601.db2.gz MGJJOPPSYMTNSL-WDYCEAGBSA-N 2 1 331.460 1.534 20 0 EDADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000649382202 452055831 /nfs/dbraw/zinc/05/58/31/452055831.db2.gz VREDZNRJOSKOBK-UXHICEINSA-N 2 1 331.504 1.956 20 0 EDADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)CN3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000649408741 452072604 /nfs/dbraw/zinc/07/26/04/452072604.db2.gz JSVJPFQITZQYGX-LJQANCHMSA-N 2 1 344.503 1.487 20 0 EDADMP [NH3+]C1(CC(=O)NCC2CC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000637804892 452092651 /nfs/dbraw/zinc/09/26/51/452092651.db2.gz IKYBQUFQFNAIKY-UHFFFAOYSA-N 3 1 344.503 1.486 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000639757556 452096644 /nfs/dbraw/zinc/09/66/44/452096644.db2.gz HVFPFQYZKZKGDR-HNNXBMFYSA-N 2 1 329.510 1.076 20 0 EDADMP Cc1cc(=O)n2nc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)sc2n1 ZINC000639759708 452098257 /nfs/dbraw/zinc/09/82/57/452098257.db2.gz HIRRVTGFCMYJPJ-UHFFFAOYSA-N 2 1 333.461 1.377 20 0 EDADMP [NH3+]C[C@@H]1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000637821932 452100606 /nfs/dbraw/zinc/10/06/06/452100606.db2.gz FZUQATGGYNMKOY-KRWDZBQOSA-N 3 1 330.476 1.177 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CO1 ZINC000647181852 452110618 /nfs/dbraw/zinc/11/06/18/452110618.db2.gz VYYOWULBZVIJAK-JLSDUUJJSA-N 2 1 331.460 1.651 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2)[C@@H]1CC[NH2+]C1 ZINC000637837543 452110656 /nfs/dbraw/zinc/11/06/56/452110656.db2.gz IKBYTQBPUYAJII-HBFSDRIKSA-N 2 1 343.471 1.345 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000639768903 452112273 /nfs/dbraw/zinc/11/22/73/452112273.db2.gz VHWFKHUJNPXYGS-HXUWFJFHSA-N 2 1 345.487 1.744 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000639768903 452112283 /nfs/dbraw/zinc/11/22/83/452112283.db2.gz VHWFKHUJNPXYGS-HXUWFJFHSA-N 2 1 345.487 1.744 20 0 EDADMP c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)n(-c2ccccn2)n1 ZINC000647184561 452112999 /nfs/dbraw/zinc/11/29/99/452112999.db2.gz PKQBMXNWAHSDKA-INIZCTEOSA-N 2 1 341.459 1.858 20 0 EDADMP c1cnc2c(c1)CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000643346209 452143424 /nfs/dbraw/zinc/14/34/24/452143424.db2.gz LZODZHHKYMEOOA-RTBURBONSA-N 2 1 344.503 1.325 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)C[N@H+](C[C@H](C)O)C3CC3)CC2)c1 ZINC000653897468 452165766 /nfs/dbraw/zinc/16/57/66/452165766.db2.gz OKMFSWMEFMRXQB-KRWDZBQOSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)CN(C[C@H](C)O)C3CC3)CC2)c1 ZINC000653897468 452165772 /nfs/dbraw/zinc/16/57/72/452165772.db2.gz OKMFSWMEFMRXQB-KRWDZBQOSA-N 2 1 345.487 1.484 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1(C)C ZINC000657459136 452260510 /nfs/dbraw/zinc/26/05/10/452260510.db2.gz URNQDFAAHXYLIB-LJQANCHMSA-N 2 1 347.503 1.970 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641797150 452273060 /nfs/dbraw/zinc/27/30/60/452273060.db2.gz VZVFMELAAKHQLN-LBPRGKRZSA-N 2 1 341.358 1.295 20 0 EDADMP FC1(F)Oc2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2O1 ZINC000641799062 452275698 /nfs/dbraw/zinc/27/56/98/452275698.db2.gz IZBYKUGTERORSN-CYBMUJFWSA-N 2 1 325.359 1.488 20 0 EDADMP CC(C)OCc1ccc(CNC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641802723 452277848 /nfs/dbraw/zinc/27/78/48/452277848.db2.gz BBBGCJMZDRPMPB-SJORKVTESA-N 2 1 333.476 1.943 20 0 EDADMP COc1ccc(CN(C)C(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1OC ZINC000641804386 452280075 /nfs/dbraw/zinc/28/00/75/452280075.db2.gz IIHFQADFNGBHEQ-HOTGVXAUSA-N 2 1 335.448 1.378 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1OC ZINC000641803790 452280798 /nfs/dbraw/zinc/28/07/98/452280798.db2.gz HNYDRZSTJDCGBU-VUCTXSBTSA-N 2 1 349.475 1.466 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641804753 452283507 /nfs/dbraw/zinc/28/35/07/452283507.db2.gz LEVVJYZXQGJCQC-IRXDYDNUSA-N 2 1 333.476 1.943 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)[nH+]c1 ZINC000655513694 452319333 /nfs/dbraw/zinc/31/93/33/452319333.db2.gz CAQWGJJWDBYEQI-GFCCVEGCSA-N 2 1 330.354 1.612 20 0 EDADMP [NH3+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655514449 452322685 /nfs/dbraw/zinc/32/26/85/452322685.db2.gz QSJLETFLWUIBAV-UONOGXRCSA-N 2 1 329.366 1.904 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659467233 452323834 /nfs/dbraw/zinc/32/38/34/452323834.db2.gz VIWXACCTPFTIGM-DDBAPUKQSA-N 2 1 348.466 1.978 20 0 EDADMP CO[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@](C)(CO)C1 ZINC000640004455 452339192 /nfs/dbraw/zinc/33/91/92/452339192.db2.gz MKVGRMZIKCNWTR-RBUKOAKNSA-N 2 1 334.460 1.491 20 0 EDADMP CO[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@](C)(CO)C1 ZINC000640004455 452339201 /nfs/dbraw/zinc/33/92/01/452339201.db2.gz MKVGRMZIKCNWTR-RBUKOAKNSA-N 2 1 334.460 1.491 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000652147062 452339505 /nfs/dbraw/zinc/33/95/05/452339505.db2.gz GLHXJDXSJPPHTO-MRXNPFEDSA-N 2 1 340.512 1.517 20 0 EDADMP CCc1ncc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000657594458 452360525 /nfs/dbraw/zinc/36/05/25/452360525.db2.gz AMVCFSTVBQSFGG-GOSISDBHSA-N 2 1 326.444 1.895 20 0 EDADMP CCc1ncc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000657594460 452361232 /nfs/dbraw/zinc/36/12/32/452361232.db2.gz AMVCFSTVBQSFGG-SFHVURJKSA-N 2 1 326.444 1.895 20 0 EDADMP O=C(NCCC[NH2+]C1CC1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000659506222 452372035 /nfs/dbraw/zinc/37/20/35/452372035.db2.gz MNIJMHGKPNDRMY-GOSISDBHSA-N 2 1 346.475 1.195 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000638071973 452380412 /nfs/dbraw/zinc/38/04/12/452380412.db2.gz JFBODRHDKURKQR-DZOHQFGASA-N 2 1 331.460 1.662 20 0 EDADMP C[C@]1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C[NH2+]CCO1 ZINC000638079731 452396230 /nfs/dbraw/zinc/39/62/30/452396230.db2.gz HGCCGPWQWSZWHU-PKOBYXMFSA-N 2 1 331.460 1.536 20 0 EDADMP C[C@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654374882 452427180 /nfs/dbraw/zinc/42/71/80/452427180.db2.gz VTHCQPSDTGCPAI-VQHPVUNQSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654374882 452427185 /nfs/dbraw/zinc/42/71/85/452427185.db2.gz VTHCQPSDTGCPAI-VQHPVUNQSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCC[C@@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654374882 452427191 /nfs/dbraw/zinc/42/71/91/452427191.db2.gz VTHCQPSDTGCPAI-VQHPVUNQSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCC[C@@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654374882 452427196 /nfs/dbraw/zinc/42/71/96/452427196.db2.gz VTHCQPSDTGCPAI-VQHPVUNQSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654380800 452431354 /nfs/dbraw/zinc/43/13/54/452431354.db2.gz FKEFOFWJMIJYFK-JONQDZQNSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654380800 452431363 /nfs/dbraw/zinc/43/13/63/452431363.db2.gz FKEFOFWJMIJYFK-JONQDZQNSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654380800 452431374 /nfs/dbraw/zinc/43/13/74/452431374.db2.gz FKEFOFWJMIJYFK-JONQDZQNSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654380800 452431384 /nfs/dbraw/zinc/43/13/84/452431384.db2.gz FKEFOFWJMIJYFK-JONQDZQNSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654380800 452431393 /nfs/dbraw/zinc/43/13/93/452431393.db2.gz FKEFOFWJMIJYFK-JONQDZQNSA-N 2 1 338.496 1.268 20 0 EDADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647709574 452443226 /nfs/dbraw/zinc/44/32/26/452443226.db2.gz YVRPBXVTZXYIAP-KURKYZTESA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000647709574 452443231 /nfs/dbraw/zinc/44/32/31/452443231.db2.gz YVRPBXVTZXYIAP-KURKYZTESA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000647709574 452443239 /nfs/dbraw/zinc/44/32/39/452443239.db2.gz YVRPBXVTZXYIAP-KURKYZTESA-N 2 1 335.492 1.451 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652274875 452462382 /nfs/dbraw/zinc/46/23/82/452462382.db2.gz XTACEMKPDXFKBF-RDJZCZTQSA-N 2 1 334.439 1.910 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(C[NH3+])cc3F)CC[C@H]21 ZINC000652276213 452463924 /nfs/dbraw/zinc/46/39/24/452463924.db2.gz MDVNIRNOUSQHPN-NVXWUHKLSA-N 2 1 334.439 1.910 20 0 EDADMP CN(C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659616504 452475316 /nfs/dbraw/zinc/47/53/16/452475316.db2.gz LERMWIZCUFVDOL-TVRKMHQQSA-N 2 1 328.460 1.654 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654435610 452494355 /nfs/dbraw/zinc/49/43/55/452494355.db2.gz XJQJVMQAHKJAMR-LVQVYYBASA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654435610 452494361 /nfs/dbraw/zinc/49/43/61/452494361.db2.gz XJQJVMQAHKJAMR-LVQVYYBASA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654435610 452494364 /nfs/dbraw/zinc/49/43/64/452494364.db2.gz XJQJVMQAHKJAMR-LVQVYYBASA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654435610 452494370 /nfs/dbraw/zinc/49/43/70/452494370.db2.gz XJQJVMQAHKJAMR-LVQVYYBASA-N 2 1 326.485 1.125 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000655680473 452505709 /nfs/dbraw/zinc/50/57/09/452505709.db2.gz MHYPEQNWWQGONN-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000652337137 452508772 /nfs/dbraw/zinc/50/87/72/452508772.db2.gz NAHKAVPXJDSFKE-QGZVFWFLSA-N 2 1 338.427 1.382 20 0 EDADMP CN(C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652345636 452519571 /nfs/dbraw/zinc/51/95/71/452519571.db2.gz HGVIMABOSPWPKF-XYJFISCASA-N 2 1 331.460 1.868 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347333 452523895 /nfs/dbraw/zinc/52/38/95/452523895.db2.gz YWNMAXJFOBYNOO-VIQHNZTISA-N 2 1 325.497 1.898 20 0 EDADMP CN1CCN(c2cc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccn2)CC1 ZINC000647790481 452524643 /nfs/dbraw/zinc/52/46/43/452524643.db2.gz ZOQDOAHYSMPOLA-OKZBNKHCSA-N 2 1 329.492 1.311 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000652353494 452528089 /nfs/dbraw/zinc/52/80/89/452528089.db2.gz LVXUJENXCKSZMY-ZBFHGGJFSA-N 2 1 349.475 1.769 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000652353494 452528096 /nfs/dbraw/zinc/52/80/96/452528096.db2.gz LVXUJENXCKSZMY-ZBFHGGJFSA-N 2 1 349.475 1.769 20 0 EDADMP C[C@@H]1CCC[N@H+](CC(=O)NCCOc2cccc(F)c2)[C@@H]1CC[NH3+] ZINC000652354808 452531589 /nfs/dbraw/zinc/53/15/89/452531589.db2.gz IZHYOYUPBUKRFH-RHSMWYFYSA-N 2 1 337.439 1.770 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(F)c2)[C@@H]1CC[NH3+] ZINC000652354808 452531592 /nfs/dbraw/zinc/53/15/92/452531592.db2.gz IZHYOYUPBUKRFH-RHSMWYFYSA-N 2 1 337.439 1.770 20 0 EDADMP C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1CC[NH3+] ZINC000652356062 452533686 /nfs/dbraw/zinc/53/36/86/452533686.db2.gz RDZWEKHHPUHFGL-NEWSRXKRSA-N 3 1 346.519 1.855 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1CC[NH3+] ZINC000652356062 452533696 /nfs/dbraw/zinc/53/36/96/452533696.db2.gz RDZWEKHHPUHFGL-NEWSRXKRSA-N 3 1 346.519 1.855 20 0 EDADMP OCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCOCC1 ZINC000655755243 452558975 /nfs/dbraw/zinc/55/89/75/452558975.db2.gz UUXYMGQQRDMCCT-ZWKOTPCHSA-N 2 1 326.481 1.397 20 0 EDADMP C[C@H](Cn1cncn1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000657852681 452567439 /nfs/dbraw/zinc/56/74/39/452567439.db2.gz XDIROFMXUUMPIY-HZPDHXFCSA-N 2 1 329.448 1.677 20 0 EDADMP C[C@H](Cn1cncn1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000657852681 452567447 /nfs/dbraw/zinc/56/74/47/452567447.db2.gz XDIROFMXUUMPIY-HZPDHXFCSA-N 2 1 329.448 1.677 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H]1n1cccn1 ZINC000655771887 452570426 /nfs/dbraw/zinc/57/04/26/452570426.db2.gz QHRHEGLRKLPIBE-INDMIFKZSA-N 2 1 348.491 1.835 20 0 EDADMP CCN1C[C@@H](C)N(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)C[C@H]1C ZINC000652456959 452649351 /nfs/dbraw/zinc/64/93/51/452649351.db2.gz TZBINLZEWDYKQN-HZPDHXFCSA-N 2 1 340.512 1.022 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCC[NH+](C)CC(C)C)C[C@H]1C ZINC000652456959 452649356 /nfs/dbraw/zinc/64/93/56/452649356.db2.gz TZBINLZEWDYKQN-HZPDHXFCSA-N 2 1 340.512 1.022 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCC[NH+](C)CC(C)C)C[C@H]1C ZINC000652456959 452649359 /nfs/dbraw/zinc/64/93/59/452649359.db2.gz TZBINLZEWDYKQN-HZPDHXFCSA-N 2 1 340.512 1.022 20 0 EDADMP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)C[C@H]1C ZINC000652456959 452649363 /nfs/dbraw/zinc/64/93/63/452649363.db2.gz TZBINLZEWDYKQN-HZPDHXFCSA-N 2 1 340.512 1.022 20 0 EDADMP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)C[C@H]1C ZINC000652456959 452649368 /nfs/dbraw/zinc/64/93/68/452649368.db2.gz TZBINLZEWDYKQN-HZPDHXFCSA-N 2 1 340.512 1.022 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655919996 452680712 /nfs/dbraw/zinc/68/07/12/452680712.db2.gz RNEZTPBZAFZRIA-KGLIPLIRSA-N 2 1 344.381 1.792 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(CC2(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)CCC2)C1 ZINC000647971192 452715266 /nfs/dbraw/zinc/71/52/66/452715266.db2.gz YAWHUVLZFTWRAB-OALUTQOASA-N 3 1 336.568 1.924 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970747 452752715 /nfs/dbraw/zinc/75/27/15/452752715.db2.gz LACDCCHXCLGJCL-JONQDZQNSA-N 2 1 328.501 1.499 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970747 452752723 /nfs/dbraw/zinc/75/27/23/452752723.db2.gz LACDCCHXCLGJCL-JONQDZQNSA-N 2 1 328.501 1.499 20 0 EDADMP C[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653920 452758108 /nfs/dbraw/zinc/75/81/08/452758108.db2.gz OEYUSWXSIZLFMN-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653920 452758118 /nfs/dbraw/zinc/75/81/18/452758118.db2.gz OEYUSWXSIZLFMN-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccnn1-c1ccccn1)CC[NH+](C)C ZINC000648036338 452773044 /nfs/dbraw/zinc/77/30/44/452773044.db2.gz FUXXRJQDNKWDKA-UHFFFAOYSA-N 2 1 330.480 1.583 20 0 EDADMP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000645786963 452787806 /nfs/dbraw/zinc/78/78/06/452787806.db2.gz NZANNERZHGNFGD-OALUTQOASA-N 2 1 345.487 1.783 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)COC3(C)C[NH2+]C3)CC2)cc1 ZINC000648149633 452860426 /nfs/dbraw/zinc/86/04/26/452860426.db2.gz XIIQZCKDJDZDPA-UHFFFAOYSA-N 2 1 347.459 1.108 20 0 EDADMP O=C(C[C@@H]1CC[NH2+]C1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000648149157 452861096 /nfs/dbraw/zinc/86/10/96/452861096.db2.gz QSFCWINZFOGORV-SFHVURJKSA-N 2 1 346.475 1.132 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@]1(C)CO ZINC000662146644 452881571 /nfs/dbraw/zinc/88/15/71/452881571.db2.gz STRWXFOGCRAMDA-AYBZRNKSSA-N 2 1 333.476 1.356 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CCC[N@H+]1C ZINC000648175935 452887155 /nfs/dbraw/zinc/88/71/55/452887155.db2.gz GMYPWRYTDBJOPV-LJIGWXMPSA-N 2 1 333.480 1.294 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC[N@H+]1C ZINC000648177669 452890317 /nfs/dbraw/zinc/89/03/17/452890317.db2.gz MTXLJSLYPPVAOB-HZPDHXFCSA-N 2 1 346.475 1.249 20 0 EDADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)Nc1ccccc1F ZINC000662153672 452891982 /nfs/dbraw/zinc/89/19/82/452891982.db2.gz BTQMRWJOJHURKE-HNNXBMFYSA-N 2 1 335.423 1.685 20 0 EDADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)Nc1ccccc1F ZINC000662153672 452891985 /nfs/dbraw/zinc/89/19/85/452891985.db2.gz BTQMRWJOJHURKE-HNNXBMFYSA-N 2 1 335.423 1.685 20 0 EDADMP Cc1nn(C(C)C)cc1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000654775023 452908091 /nfs/dbraw/zinc/90/80/91/452908091.db2.gz BMLJFZJJNNEYHV-OAHLLOKOSA-N 2 1 333.480 1.671 20 0 EDADMP Cc1nn(C(C)C)cc1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000654775023 452908097 /nfs/dbraw/zinc/90/80/97/452908097.db2.gz BMLJFZJJNNEYHV-OAHLLOKOSA-N 2 1 333.480 1.671 20 0 EDADMP C[C@@H]1CN(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)CO1 ZINC000664234108 452909241 /nfs/dbraw/zinc/90/92/41/452909241.db2.gz QLTWXDJIEOFQRZ-BFZKSOEOSA-N 2 1 338.496 1.410 20 0 EDADMP CN(C)c1nc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc[nH+]1 ZINC000664238950 452916068 /nfs/dbraw/zinc/91/60/68/452916068.db2.gz MFIBFWIXDKKYFX-MRXNPFEDSA-N 2 1 327.432 1.721 20 0 EDADMP CN(C)c1nc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc[nH+]1 ZINC000664238950 452916078 /nfs/dbraw/zinc/91/60/78/452916078.db2.gz MFIBFWIXDKKYFX-MRXNPFEDSA-N 2 1 327.432 1.721 20 0 EDADMP Cc1cc(C)n(-c2ccc(NCC[N@@H+](C)CCC[NH+](C)C)nn2)n1 ZINC000664246948 452926301 /nfs/dbraw/zinc/92/63/01/452926301.db2.gz BSJOMRCASBXLLW-UHFFFAOYSA-N 2 1 331.468 1.575 20 0 EDADMP Cc1cc(C)n(-c2ccc(NCC[N@H+](C)CCC[NH+](C)C)nn2)n1 ZINC000664246948 452926310 /nfs/dbraw/zinc/92/63/10/452926310.db2.gz BSJOMRCASBXLLW-UHFFFAOYSA-N 2 1 331.468 1.575 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@H](Cc2ccccc2)C1 ZINC000650725132 452953473 /nfs/dbraw/zinc/95/34/73/452953473.db2.gz UDHJRFVXCLLDJH-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@H](Cc2ccccc2)C1 ZINC000650725132 452953482 /nfs/dbraw/zinc/95/34/82/452953482.db2.gz UDHJRFVXCLLDJH-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000650725132 452953494 /nfs/dbraw/zinc/95/34/94/452953494.db2.gz UDHJRFVXCLLDJH-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000650725132 452953501 /nfs/dbraw/zinc/95/35/01/452953501.db2.gz UDHJRFVXCLLDJH-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])C2)CC1 ZINC000645977530 452961887 /nfs/dbraw/zinc/96/18/87/452961887.db2.gz FMKUEVUGMFROGI-SZMVWBNQSA-N 2 1 336.524 1.569 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])C2)CC1 ZINC000645977530 452961894 /nfs/dbraw/zinc/96/18/94/452961894.db2.gz FMKUEVUGMFROGI-SZMVWBNQSA-N 2 1 336.524 1.569 20 0 EDADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248487 452972886 /nfs/dbraw/zinc/97/28/86/452972886.db2.gz DCDNYMDOHAJDMB-WMLDXEAASA-N 2 1 327.432 1.781 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC34CCOCC4)CC2)CC1 ZINC000654854980 452977667 /nfs/dbraw/zinc/97/76/67/452977667.db2.gz DCIUFEPYOHIYAC-UHFFFAOYSA-N 2 1 349.519 1.964 20 0 EDADMP Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000662261180 452990288 /nfs/dbraw/zinc/99/02/88/452990288.db2.gz TXXIXJKQBATIEX-JKSUJKDBSA-N 2 1 344.459 1.562 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN(C)CC(C)(C)[NH3+])CC2)c1 ZINC000662292326 453013507 /nfs/dbraw/zinc/01/35/07/453013507.db2.gz FYHLVRKRVSDRCC-UHFFFAOYSA-N 2 1 332.492 1.308 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)NCCOc1ccccc1 ZINC000662296447 453018187 /nfs/dbraw/zinc/01/81/87/453018187.db2.gz KLMJRIVGGQAQSP-GOSISDBHSA-N 2 1 345.487 1.893 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297991 453020646 /nfs/dbraw/zinc/02/06/46/453020646.db2.gz SVQNWLGKKNBSBG-RDJZCZTQSA-N 2 1 325.497 1.629 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCO[C@H](CCc3ccccc3)C2)C1 ZINC000666654974 453040704 /nfs/dbraw/zinc/04/07/04/453040704.db2.gz WCXMNRKKSQPHJK-RBUKOAKNSA-N 2 1 345.487 1.517 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000666667463 453054011 /nfs/dbraw/zinc/05/40/11/453054011.db2.gz HPNCOVKXCHZQMS-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666667463 453054017 /nfs/dbraw/zinc/05/40/17/453054017.db2.gz HPNCOVKXCHZQMS-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP Cc1ccc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cn1 ZINC000662337580 453055856 /nfs/dbraw/zinc/05/58/56/453055856.db2.gz LPOMQFOCJBZRHK-KRWDZBQOSA-N 2 1 340.475 1.902 20 0 EDADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000646083672 453094810 /nfs/dbraw/zinc/09/48/10/453094810.db2.gz XBXUXPOMSYCFMA-ZWKOTPCHSA-N 2 1 337.508 1.964 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000664441229 453098185 /nfs/dbraw/zinc/09/81/85/453098185.db2.gz LQLVBTQVBHYHLR-YLFCFFPRSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000664441229 453098190 /nfs/dbraw/zinc/09/81/90/453098190.db2.gz LQLVBTQVBHYHLR-YLFCFFPRSA-N 2 1 340.512 1.515 20 0 EDADMP COCC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662439264 453146119 /nfs/dbraw/zinc/14/61/19/453146119.db2.gz LLFKPZGLWFRWSE-CYBMUJFWSA-N 2 1 344.253 1.143 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662439264 453146126 /nfs/dbraw/zinc/14/61/26/453146126.db2.gz LLFKPZGLWFRWSE-CYBMUJFWSA-N 2 1 344.253 1.143 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000660273197 453165321 /nfs/dbraw/zinc/16/53/21/453165321.db2.gz XGWQMFJFJHKRSL-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000660273197 453165329 /nfs/dbraw/zinc/16/53/29/453165329.db2.gz XGWQMFJFJHKRSL-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000660273197 453165338 /nfs/dbraw/zinc/16/53/38/453165338.db2.gz XGWQMFJFJHKRSL-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP CCN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000664550025 453187871 /nfs/dbraw/zinc/18/78/71/453187871.db2.gz BEYWIOUCBRXRRI-MRXNPFEDSA-N 2 1 349.479 1.258 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662479487 453193134 /nfs/dbraw/zinc/19/31/34/453193134.db2.gz JRMTVNORXPVODB-MFKMUULPSA-N 2 1 328.254 1.905 20 0 EDADMP [NH3+]CCOCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000646249071 453254288 /nfs/dbraw/zinc/25/42/88/453254288.db2.gz HSDGPBMWAQYZSB-ZWKOTPCHSA-N 2 1 331.460 1.475 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000646260383 453263501 /nfs/dbraw/zinc/26/35/01/453263501.db2.gz XDGIHNXROWBVLE-INIZCTEOSA-N 2 1 330.436 1.475 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662546138 453275521 /nfs/dbraw/zinc/27/55/21/453275521.db2.gz UJGXLFYZJUPQSL-UHFFFAOYSA-N 2 1 345.472 1.526 20 0 EDADMP C[NH2+][C@H](C(=O)NCC[NH2+]CCOC)c1cccc(Cl)c1Cl ZINC000662550955 453281044 /nfs/dbraw/zinc/28/10/44/453281044.db2.gz MJJVJGCCHNXHGR-ZDUSSCGKSA-N 2 1 334.247 1.606 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000648799035 453284400 /nfs/dbraw/zinc/28/44/00/453284400.db2.gz HDRZPGCUBBKKRE-BZUAXINKSA-N 2 1 336.480 1.700 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000648799035 453284404 /nfs/dbraw/zinc/28/44/04/453284404.db2.gz HDRZPGCUBBKKRE-BZUAXINKSA-N 2 1 336.480 1.700 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)nc(C)[nH+]1 ZINC000653122883 453316454 /nfs/dbraw/zinc/31/64/54/453316454.db2.gz GQTCCDQYFGKRQI-DLBZAZTESA-N 2 1 343.475 1.709 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000653125036 453318928 /nfs/dbraw/zinc/31/89/28/453318928.db2.gz RDWGNPSGSNUSDC-QZTJIDSGSA-N 2 1 344.503 1.703 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000648871020 453346393 /nfs/dbraw/zinc/34/63/93/453346393.db2.gz UIGDUTBIMCEMKO-HUUCEWRRSA-N 2 1 336.480 1.700 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000648871020 453346405 /nfs/dbraw/zinc/34/64/05/453346405.db2.gz UIGDUTBIMCEMKO-HUUCEWRRSA-N 2 1 336.480 1.700 20 0 EDADMP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662684189 453404291 /nfs/dbraw/zinc/40/42/91/453404291.db2.gz BPGIOFMKTGAWPB-CZUORRHYSA-N 2 1 341.415 1.400 20 0 EDADMP CC1(C)CC[NH2+][C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000662685243 453405747 /nfs/dbraw/zinc/40/57/47/453405747.db2.gz RAFKZGMBEHAFPP-CVEARBPZSA-N 2 1 344.459 1.463 20 0 EDADMP CC1(C)CC[NH2+][C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000662685243 453405758 /nfs/dbraw/zinc/40/57/58/453405758.db2.gz RAFKZGMBEHAFPP-CVEARBPZSA-N 2 1 344.459 1.463 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662689193 453407787 /nfs/dbraw/zinc/40/77/87/453407787.db2.gz UQIWZKJRCUNJNF-DZGCQCFKSA-N 2 1 345.451 1.164 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1F ZINC000662695083 453416718 /nfs/dbraw/zinc/41/67/18/453416718.db2.gz FYHFNFGBSSVOBX-BBRMVZONSA-N 2 1 332.379 1.300 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000662699388 453419979 /nfs/dbraw/zinc/41/99/79/453419979.db2.gz QDVMLOISKKZFLA-KBMXLJTQSA-N 2 1 337.489 1.440 20 0 EDADMP C[NH+](C)CCc1ccc(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1 ZINC000662705019 453427869 /nfs/dbraw/zinc/42/78/69/453427869.db2.gz NAKSFJWZPCFNKJ-CQSZACIVSA-N 2 1 327.432 1.843 20 0 EDADMP C[C@H](CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000662705743 453428101 /nfs/dbraw/zinc/42/81/01/453428101.db2.gz SSGUVPMEJWIIJD-BRSBDYLESA-N 2 1 349.519 1.772 20 0 EDADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000662730625 453456607 /nfs/dbraw/zinc/45/66/07/453456607.db2.gz LMLZGWFRXMWILN-BMSWRWNDSA-N 2 1 343.471 1.662 20 0 EDADMP C[C@@H]([NH3+])c1ccc(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000646555106 453466398 /nfs/dbraw/zinc/46/63/98/453466398.db2.gz KVMDQHFQLRKLEP-CYBMUJFWSA-N 2 1 327.432 1.839 20 0 EDADMP CC[C@@H](NC(=O)CC1([NH3+])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662753997 453489214 /nfs/dbraw/zinc/48/92/14/453489214.db2.gz ALPBHUGWVQTJDU-IAGOWNOFSA-N 2 1 331.460 1.664 20 0 EDADMP CC[C@@H](NC(=O)CC1([NH3+])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662753997 453489222 /nfs/dbraw/zinc/48/92/22/453489222.db2.gz ALPBHUGWVQTJDU-IAGOWNOFSA-N 2 1 331.460 1.664 20 0 EDADMP [NH3+]C1(CC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)CC1 ZINC000662786065 453520949 /nfs/dbraw/zinc/52/09/49/453520949.db2.gz NOZHPQJLZZSDPN-UHFFFAOYSA-N 2 1 332.448 1.014 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662793977 453528799 /nfs/dbraw/zinc/52/87/99/453528799.db2.gz LWSKEARBVVVWDT-ZMSDIMECSA-N 2 1 346.479 1.149 20 0 EDADMP C[C@H](NC(=O)CC[NH2+]C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000655449017 453536966 /nfs/dbraw/zinc/53/69/66/453536966.db2.gz GLPXDDBLZTWFMA-MAUKXSAKSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@H](NC(=O)CC[NH2+]C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000655449017 453536973 /nfs/dbraw/zinc/53/69/73/453536973.db2.gz GLPXDDBLZTWFMA-MAUKXSAKSA-N 2 1 331.460 1.534 20 0 EDADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000662811716 453545284 /nfs/dbraw/zinc/54/52/84/453545284.db2.gz AUJMCKUPCVPFGK-CQSZACIVSA-N 2 1 328.441 1.576 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662826034 453553164 /nfs/dbraw/zinc/55/31/64/453553164.db2.gz QWZUTXBAUYGKMX-NXHRZFHOSA-N 2 1 337.508 1.853 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@H](C)n2ccnc21 ZINC000665049014 453553836 /nfs/dbraw/zinc/55/38/36/453553836.db2.gz ZOKYRBQWUGXKKW-KKUMJFAQSA-N 2 1 336.484 1.460 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@H](C)n2ccnc21 ZINC000665049014 453553843 /nfs/dbraw/zinc/55/38/43/453553843.db2.gz ZOKYRBQWUGXKKW-KKUMJFAQSA-N 2 1 336.484 1.460 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662833838 453561192 /nfs/dbraw/zinc/56/11/92/453561192.db2.gz AHZSTDFHIWSPJZ-INMHGKMJSA-N 2 1 346.479 1.339 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000667328966 453562027 /nfs/dbraw/zinc/56/20/27/453562027.db2.gz XWFAYGXEOOMTEQ-SFHVURJKSA-N 2 1 328.460 1.822 20 0 EDADMP C[NH+]1CC=C(CNC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000667328966 453562030 /nfs/dbraw/zinc/56/20/30/453562030.db2.gz XWFAYGXEOOMTEQ-SFHVURJKSA-N 2 1 328.460 1.822 20 0 EDADMP C[NH+]1CC=C(CNC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000667328966 453562034 /nfs/dbraw/zinc/56/20/34/453562034.db2.gz XWFAYGXEOOMTEQ-SFHVURJKSA-N 2 1 328.460 1.822 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCC3([NH3+])CCCC3)cc2)CC1 ZINC000662863860 453577463 /nfs/dbraw/zinc/57/74/63/453577463.db2.gz YAWDKDFFURCTNO-UHFFFAOYSA-N 2 1 330.476 1.435 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000665118981 453581147 /nfs/dbraw/zinc/58/11/47/453581147.db2.gz KCUDQHBBROZLJK-IRXDYDNUSA-N 3 1 341.544 1.290 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000665118981 453581151 /nfs/dbraw/zinc/58/11/51/453581151.db2.gz KCUDQHBBROZLJK-IRXDYDNUSA-N 3 1 341.544 1.290 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000665118981 453581158 /nfs/dbraw/zinc/58/11/58/453581158.db2.gz KCUDQHBBROZLJK-IRXDYDNUSA-N 3 1 341.544 1.290 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000665118981 453581165 /nfs/dbraw/zinc/58/11/65/453581165.db2.gz KCUDQHBBROZLJK-IRXDYDNUSA-N 3 1 341.544 1.290 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000665118981 453581170 /nfs/dbraw/zinc/58/11/70/453581170.db2.gz KCUDQHBBROZLJK-IRXDYDNUSA-N 3 1 341.544 1.290 20 0 EDADMP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000659034353 453590501 /nfs/dbraw/zinc/59/05/01/453590501.db2.gz LYAWKQCTTGGVJH-ZWKOTPCHSA-N 2 1 344.459 1.953 20 0 EDADMP [NH3+][C@H](CCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)CC1CCCCC1 ZINC000662908403 453597488 /nfs/dbraw/zinc/59/74/88/453597488.db2.gz UHCPRHGSGVJLAB-MSOLQXFVSA-N 2 1 336.524 1.570 20 0 EDADMP C[C@H]1COCCN1CCNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660855212 453611648 /nfs/dbraw/zinc/61/16/48/453611648.db2.gz LOIPTKZPTCMDMH-RDJZCZTQSA-N 2 1 338.496 1.128 20 0 EDADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000665234567 453618964 /nfs/dbraw/zinc/61/89/64/453618964.db2.gz GCLJNSQIZGCJCC-YNEHKIRRSA-N 2 1 330.354 1.742 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659096812 453629232 /nfs/dbraw/zinc/62/92/32/453629232.db2.gz WOSMTERTNTWYMW-HNNXBMFYSA-N 2 1 332.448 1.334 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C3CCC3)C2)C1 ZINC000665284880 453636039 /nfs/dbraw/zinc/63/60/39/453636039.db2.gz XLQUXASYOULEQT-ROUUACIJSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C3CCC3)C2)C1 ZINC000665284880 453636044 /nfs/dbraw/zinc/63/60/44/453636044.db2.gz XLQUXASYOULEQT-ROUUACIJSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](C3CCC3)C2)C1 ZINC000665284880 453636050 /nfs/dbraw/zinc/63/60/50/453636050.db2.gz XLQUXASYOULEQT-ROUUACIJSA-N 2 1 337.508 1.581 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)c2C1 ZINC000659107311 453639186 /nfs/dbraw/zinc/63/91/86/453639186.db2.gz VBXHRIXJCLPBTI-MRXNPFEDSA-N 2 1 346.475 1.840 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)c2C1 ZINC000659107311 453639190 /nfs/dbraw/zinc/63/91/90/453639190.db2.gz VBXHRIXJCLPBTI-MRXNPFEDSA-N 2 1 346.475 1.840 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000665365527 453669683 /nfs/dbraw/zinc/66/96/83/453669683.db2.gz GHVFBWGXCVIDPR-BZUAXINKSA-N 2 1 338.496 1.100 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](CO)Cc2ccccc2)CC1 ZINC000661098086 453714033 /nfs/dbraw/zinc/71/40/33/453714033.db2.gz NEENDSZIGLZZRL-GOSISDBHSA-N 2 1 333.476 1.122 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](CO)Cc2ccccc2)CC1 ZINC000661098086 453714035 /nfs/dbraw/zinc/71/40/35/453714035.db2.gz NEENDSZIGLZZRL-GOSISDBHSA-N 2 1 333.476 1.122 20 0 EDADMP C[C@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659329555 453718409 /nfs/dbraw/zinc/71/84/09/453718409.db2.gz JMTIMVDDUXQVKZ-BSXFFOKHSA-N 2 1 331.460 1.835 20 0 EDADMP C[C@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659329555 453718413 /nfs/dbraw/zinc/71/84/13/453718413.db2.gz JMTIMVDDUXQVKZ-BSXFFOKHSA-N 2 1 331.460 1.835 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N(C)CC2C[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000661193917 453753614 /nfs/dbraw/zinc/75/36/14/453753614.db2.gz VEMCBMRVXQTCOF-QAPCUYQASA-N 2 1 330.476 1.852 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)NCC1CC[NH+](CC2CC2)CC1 ZINC000661238603 453770390 /nfs/dbraw/zinc/77/03/90/453770390.db2.gz WRXDBRMRYFMNLB-UHFFFAOYSA-N 2 1 338.496 1.130 20 0 EDADMP C[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000663444631 453800831 /nfs/dbraw/zinc/80/08/31/453800831.db2.gz CQVJJRIEQVJYCM-GOSISDBHSA-N 2 1 346.475 1.147 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000661403143 453812218 /nfs/dbraw/zinc/81/22/18/453812218.db2.gz ZJSULRQHNOMAHG-INIZCTEOSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000671307928 486651135 /nfs/dbraw/zinc/65/11/35/486651135.db2.gz ZDFUYPBYBPJOFV-DLBZAZTESA-N 2 1 335.492 1.514 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CCOCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000384940341 486687774 /nfs/dbraw/zinc/68/77/74/486687774.db2.gz CKEAFYNRJALPBS-MOPGFXCFSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676243083 486701988 /nfs/dbraw/zinc/70/19/88/486701988.db2.gz IGCMCXNFEJRHGE-BZUAXINKSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676243083 486701990 /nfs/dbraw/zinc/70/19/90/486701990.db2.gz IGCMCXNFEJRHGE-BZUAXINKSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676243083 486701993 /nfs/dbraw/zinc/70/19/93/486701993.db2.gz IGCMCXNFEJRHGE-BZUAXINKSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243083 486701997 /nfs/dbraw/zinc/70/19/97/486701997.db2.gz IGCMCXNFEJRHGE-BZUAXINKSA-N 2 1 340.512 1.515 20 0 EDADMP CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000680471098 486783763 /nfs/dbraw/zinc/78/37/63/486783763.db2.gz UWGHJOXMMFERLU-CVEARBPZSA-N 2 1 329.510 1.265 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000676502127 486788825 /nfs/dbraw/zinc/78/88/25/486788825.db2.gz OINZJMXFJJKELN-GVDBMIGSSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000676502127 486788829 /nfs/dbraw/zinc/78/88/29/486788829.db2.gz OINZJMXFJJKELN-GVDBMIGSSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000676502127 486788834 /nfs/dbraw/zinc/78/88/34/486788834.db2.gz OINZJMXFJJKELN-GVDBMIGSSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000676502127 486788839 /nfs/dbraw/zinc/78/88/39/486788839.db2.gz OINZJMXFJJKELN-GVDBMIGSSA-N 2 1 340.512 1.373 20 0 EDADMP CCC[NH+]1CCC(Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1 ZINC000683944257 486876191 /nfs/dbraw/zinc/87/61/91/486876191.db2.gz ZXUWKZGTMGMSEF-UHFFFAOYSA-N 2 1 330.476 1.816 20 0 EDADMP CCC[NH+]1CCC(Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1 ZINC000683944257 486876194 /nfs/dbraw/zinc/87/61/94/486876194.db2.gz ZXUWKZGTMGMSEF-UHFFFAOYSA-N 2 1 330.476 1.816 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000667810285 486976591 /nfs/dbraw/zinc/97/65/91/486976591.db2.gz QXRUHXVJJZXSHY-UHFFFAOYSA-N 2 1 349.479 1.172 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C1CC[NH+](C)CC1 ZINC000673670208 487086125 /nfs/dbraw/zinc/08/61/25/487086125.db2.gz GUFOVVFCTNCECA-CRAIPNDOSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)C1CC[NH+](C)CC1 ZINC000673670208 487086130 /nfs/dbraw/zinc/08/61/30/487086130.db2.gz GUFOVVFCTNCECA-CRAIPNDOSA-N 2 1 330.476 1.893 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673780298 487112975 /nfs/dbraw/zinc/11/29/75/487112975.db2.gz WSNAGJIMRUVMII-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673780298 487112978 /nfs/dbraw/zinc/11/29/78/487112978.db2.gz WSNAGJIMRUVMII-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668162745 487125760 /nfs/dbraw/zinc/12/57/60/487125760.db2.gz GYDAFFOBEHDHQU-FQEVSTJZSA-N 2 1 347.503 1.924 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000681789093 487168269 /nfs/dbraw/zinc/16/82/69/487168269.db2.gz JDJURWNGBVINHC-KZNAEPCWSA-N 2 1 331.460 1.486 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000681789093 487168271 /nfs/dbraw/zinc/16/82/71/487168271.db2.gz JDJURWNGBVINHC-KZNAEPCWSA-N 2 1 331.460 1.486 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000678276146 487279833 /nfs/dbraw/zinc/27/98/33/487279833.db2.gz YUWFHCKUDPCQBL-MRXNPFEDSA-N 2 1 340.489 1.494 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000678276146 487279836 /nfs/dbraw/zinc/27/98/36/487279836.db2.gz YUWFHCKUDPCQBL-MRXNPFEDSA-N 2 1 340.489 1.494 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1CCO ZINC000682012683 487283677 /nfs/dbraw/zinc/28/36/77/487283677.db2.gz XOJXSPNXHAIZED-MRXNPFEDSA-N 2 1 337.508 1.556 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1CCO ZINC000682012683 487283678 /nfs/dbraw/zinc/28/36/78/487283678.db2.gz XOJXSPNXHAIZED-MRXNPFEDSA-N 2 1 337.508 1.556 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1CCO ZINC000682012683 487283679 /nfs/dbraw/zinc/28/36/79/487283679.db2.gz XOJXSPNXHAIZED-MRXNPFEDSA-N 2 1 337.508 1.556 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1CCO ZINC000682012683 487283680 /nfs/dbraw/zinc/28/36/80/487283680.db2.gz XOJXSPNXHAIZED-MRXNPFEDSA-N 2 1 337.508 1.556 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN([C@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000678350128 487294470 /nfs/dbraw/zinc/29/44/70/487294470.db2.gz SZILTSUWBRIZEJ-RTWAWAEBSA-N 2 1 342.531 1.973 20 0 EDADMP C[NH+]1CCC[C@@H](N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000678350128 487294473 /nfs/dbraw/zinc/29/44/73/487294473.db2.gz SZILTSUWBRIZEJ-RTWAWAEBSA-N 2 1 342.531 1.973 20 0 EDADMP C[NH+]1CCC[C@@H](N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000678350128 487294475 /nfs/dbraw/zinc/29/44/75/487294475.db2.gz SZILTSUWBRIZEJ-RTWAWAEBSA-N 2 1 342.531 1.973 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[N@@H+]1C1CC1 ZINC000674707382 487302082 /nfs/dbraw/zinc/30/20/82/487302082.db2.gz COWXKGJBJPIEDE-INMHGKMJSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[N@H+]1C1CC1 ZINC000674707382 487302085 /nfs/dbraw/zinc/30/20/85/487302085.db2.gz COWXKGJBJPIEDE-INMHGKMJSA-N 2 1 336.480 1.118 20 0 EDADMP CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000682279342 487335852 /nfs/dbraw/zinc/33/58/52/487335852.db2.gz OJWYTMFQENVWNY-UHFFFAOYSA-N 2 1 332.448 1.371 20 0 EDADMP CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000682279342 487335856 /nfs/dbraw/zinc/33/58/56/487335856.db2.gz OJWYTMFQENVWNY-UHFFFAOYSA-N 2 1 332.448 1.371 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000678635489 487346315 /nfs/dbraw/zinc/34/63/15/487346315.db2.gz DJIJYYHBRPFOMH-IRXDYDNUSA-N 2 1 349.519 1.868 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675194503 487387867 /nfs/dbraw/zinc/38/78/67/487387867.db2.gz OTCDXVFPGMEMKY-IAGOWNOFSA-N 2 1 338.496 1.367 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675194504 487387971 /nfs/dbraw/zinc/38/79/71/487387971.db2.gz OTCDXVFPGMEMKY-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 ZINC000682556143 487388270 /nfs/dbraw/zinc/38/82/70/487388270.db2.gz DVWQGFKPDWKSPK-CGTJXYLNSA-N 2 1 331.460 1.713 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000682999578 487440671 /nfs/dbraw/zinc/44/06/71/487440671.db2.gz NJKJVXSZVGCTOO-KRWDZBQOSA-N 2 1 325.416 1.772 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3cccnc3)CC2)C1 ZINC000683017946 487442375 /nfs/dbraw/zinc/44/23/75/487442375.db2.gz VKQXTZLDWUCWMS-KRWDZBQOSA-N 2 1 331.464 1.122 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3cccnc3)CC2)C1 ZINC000683017946 487442377 /nfs/dbraw/zinc/44/23/77/487442377.db2.gz VKQXTZLDWUCWMS-KRWDZBQOSA-N 2 1 331.464 1.122 20 0 EDADMP C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000679710628 487460946 /nfs/dbraw/zinc/46/09/46/487460946.db2.gz MCVSVJNBBPXXGA-OAHLLOKOSA-N 2 1 329.448 1.564 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417874260 485478207 /nfs/dbraw/zinc/47/82/07/485478207.db2.gz MVHJJJPNHCTFQB-WBVHZDCISA-N 2 1 334.464 1.185 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000669534033 485511805 /nfs/dbraw/zinc/51/18/05/485511805.db2.gz CCMKJHKMVFDDAT-HZMVEIRTSA-N 2 1 338.496 1.447 20 0 EDADMP C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538388 485520437 /nfs/dbraw/zinc/52/04/37/485520437.db2.gz OHKFSVMNHFTOOV-XIRDDKMYSA-N 2 1 334.464 1.485 20 0 EDADMP C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538388 485520441 /nfs/dbraw/zinc/52/04/41/485520441.db2.gz OHKFSVMNHFTOOV-XIRDDKMYSA-N 2 1 334.464 1.485 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000669552596 485546448 /nfs/dbraw/zinc/54/64/48/485546448.db2.gz CHBSHYLOFMBRKN-INMHGKMJSA-N 2 1 334.464 1.265 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669552611 485547304 /nfs/dbraw/zinc/54/73/04/485547304.db2.gz DXYNVEKQZRDFMP-NJAFHUGGSA-N 2 1 330.476 1.900 20 0 EDADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)NC[C@@H]1CCCC[NH2+]1 ZINC000669556094 485558979 /nfs/dbraw/zinc/55/89/79/485558979.db2.gz FHVXRHSRQYOLJL-ROUUACIJSA-N 2 1 346.475 1.195 20 0 EDADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000669557143 485560076 /nfs/dbraw/zinc/56/00/76/485560076.db2.gz VIXIHICVFISPIX-VDHUWJSZSA-N 2 1 330.476 1.934 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669561059 485569252 /nfs/dbraw/zinc/56/92/52/485569252.db2.gz AYGYQRVXPSPKLJ-KBAYOESNSA-N 2 1 330.476 1.948 20 0 EDADMP Cc1ccc2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc(=O)n2c1 ZINC000324633146 485580787 /nfs/dbraw/zinc/58/07/87/485580787.db2.gz RNJQAXPWBILOJU-DOTOQJQBSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc(=O)n2c1 ZINC000324633146 485580792 /nfs/dbraw/zinc/58/07/92/485580792.db2.gz RNJQAXPWBILOJU-DOTOQJQBSA-N 2 1 326.444 1.967 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000669600538 485676676 /nfs/dbraw/zinc/67/66/76/485676676.db2.gz WXYQJSOEUWRLHR-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000673778506 485722364 /nfs/dbraw/zinc/72/23/64/485722364.db2.gz BNPIVDFKIIDVHQ-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000673778506 485722373 /nfs/dbraw/zinc/72/23/73/485722373.db2.gz BNPIVDFKIIDVHQ-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000673778506 485722380 /nfs/dbraw/zinc/72/23/80/485722380.db2.gz BNPIVDFKIIDVHQ-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCNC1=O ZINC000669621367 485837018 /nfs/dbraw/zinc/83/70/18/485837018.db2.gz IVGARYSWTUPESJ-SFHVURJKSA-N 2 1 331.460 1.872 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000418654550 485903645 /nfs/dbraw/zinc/90/36/45/485903645.db2.gz PURIKAUZECBGDI-SJLPKXTDSA-N 2 1 348.491 1.395 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)CC(C)(C)[NH3+])c2)CC1 ZINC000237135167 485954061 /nfs/dbraw/zinc/95/40/61/485954061.db2.gz BOTZKIWHTMVKRN-UHFFFAOYSA-N 2 1 332.448 1.069 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCOCC2)[C@@H](C)C1 ZINC000678601657 486044813 /nfs/dbraw/zinc/04/48/13/486044813.db2.gz BPVSRIASYDOPQC-DLBZAZTESA-N 2 1 328.497 1.909 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669458888 486214519 /nfs/dbraw/zinc/21/45/19/486214519.db2.gz JBFGSGSFDVARNB-RTBURBONSA-N 2 1 344.503 1.992 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C1CC[NH+](C)CC1 ZINC000669490448 486262185 /nfs/dbraw/zinc/26/21/85/486262185.db2.gz HNGMVIGTGAZRAL-PBHICJAKSA-N 2 1 331.464 1.468 20 0 EDADMP Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000668933536 486360187 /nfs/dbraw/zinc/36/01/87/486360187.db2.gz LGKKPUMBXFEOFU-CVEARBPZSA-N 2 1 346.479 1.025 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)c2cn(CC[NH3+])nn2)CC[N@H+]1Cc1ccccc1 ZINC000379666814 486636779 /nfs/dbraw/zinc/63/67/79/486636779.db2.gz XQVSIWXMWABAGT-HOCLYGCPSA-N 2 1 342.447 1.020 20 0 EDADMP COC1CC[NH+](CCNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000080117569 491171508 /nfs/dbraw/zinc/17/15/08/491171508.db2.gz LYZWLBSNCINZEA-INIZCTEOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000154961101 533842133 /nfs/dbraw/zinc/84/21/33/533842133.db2.gz FFTQVUXVZUSITQ-ROUUACIJSA-N 2 1 348.535 1.914 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@@H](C)[NH2+]1 ZINC000153965247 534371496 /nfs/dbraw/zinc/37/14/96/534371496.db2.gz HYISMOYJHYZVNL-JFIYKMOQSA-N 2 1 330.476 1.184 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000159118876 529004871 /nfs/dbraw/zinc/00/48/71/529004871.db2.gz GPKMMYKSBIAIRZ-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP CC[N@H+]1CCCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000153644199 529029508 /nfs/dbraw/zinc/02/95/08/529029508.db2.gz BJAHUIAFFBLFPP-UHFFFAOYSA-N 2 1 349.479 1.259 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N(C)C[C@H]2C[C@@H](OC)C[N@H+]2C)CC1 ZINC000346870563 535265010 /nfs/dbraw/zinc/26/50/10/535265010.db2.gz WVIHBTVPCYIULO-IAGOWNOFSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236816214 535306478 /nfs/dbraw/zinc/30/64/78/535306478.db2.gz FXQGMMODCSHRQL-PKOBYXMFSA-N 2 1 333.476 1.767 20 0 EDADMP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236816214 535306483 /nfs/dbraw/zinc/30/64/83/535306483.db2.gz FXQGMMODCSHRQL-PKOBYXMFSA-N 2 1 333.476 1.767 20 0 EDADMP CC(C)[C@@](C)(CO)[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000352887336 535309489 /nfs/dbraw/zinc/30/94/89/535309489.db2.gz XIYJROBYOZGZLC-YLJYHZDGSA-N 2 1 347.503 1.888 20 0 EDADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]([NH2+]C)c2cnn(C)c2)c1 ZINC000262434404 535607653 /nfs/dbraw/zinc/60/76/53/535607653.db2.gz UEDZFLMGJWQDEB-SFHVURJKSA-N 2 1 343.475 1.839 20 0 EDADMP CCOC(=O)CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352713106 535644658 /nfs/dbraw/zinc/64/46/58/535644658.db2.gz HDKRSYDLXGLERP-UHFFFAOYSA-N 2 1 333.476 1.689 20 0 EDADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@H+]([C@H](C)CO)CC1)c1ccccc1 ZINC000347184495 535665771 /nfs/dbraw/zinc/66/57/71/535665771.db2.gz DIBAURDFUAVSIL-MJGOQNOKSA-N 2 1 347.503 1.985 20 0 EDADMP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)Nc1cccc(Cl)c1 ZINC000261957713 536303381 /nfs/dbraw/zinc/30/33/81/536303381.db2.gz AHCARSPBEYJLPX-UHFFFAOYSA-N 2 1 338.839 1.032 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)Nc1cccc(Cl)c1 ZINC000261957713 536303384 /nfs/dbraw/zinc/30/33/84/536303384.db2.gz AHCARSPBEYJLPX-UHFFFAOYSA-N 2 1 338.839 1.032 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[C@H](C[NH+]4CCCC4)C3)cn2)CC1 ZINC000093597797 536425564 /nfs/dbraw/zinc/42/55/64/536425564.db2.gz VYLHGOHSNFUICH-QGZVFWFLSA-N 2 1 344.507 1.146 20 0 EDADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261968327 536558172 /nfs/dbraw/zinc/55/81/72/536558172.db2.gz PRTICVRNRDLJGW-GFCCVEGCSA-N 2 1 325.840 1.636 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C3([NH3+])CCCC3)C2)cc(OC)c1 ZINC000237306495 536769924 /nfs/dbraw/zinc/76/99/24/536769924.db2.gz LJRRLHNCBWIRIL-HNNXBMFYSA-N 2 1 347.459 1.666 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C3([NH3+])CCCC3)C2)cc(OC)c1 ZINC000237306495 536769929 /nfs/dbraw/zinc/76/99/29/536769929.db2.gz LJRRLHNCBWIRIL-HNNXBMFYSA-N 2 1 347.459 1.666 20 0 EDADMP COCC1(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000262309731 536807604 /nfs/dbraw/zinc/80/76/04/536807604.db2.gz AFIFCGBORCGIST-OAHLLOKOSA-N 2 1 325.497 1.629 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)NCC[NH+](C)C)CC[N@H+]2C2CC2)c1 ZINC000245888600 536914530 /nfs/dbraw/zinc/91/45/30/536914530.db2.gz BYALXSUEMMWYAL-MSOLQXFVSA-N 2 1 346.475 1.834 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000740884269 579388255 /nfs/dbraw/zinc/38/82/55/579388255.db2.gz SXNKOVLWMGEKCD-GOEBONIOSA-N 2 1 339.505 1.681 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000740884269 579388257 /nfs/dbraw/zinc/38/82/57/579388257.db2.gz SXNKOVLWMGEKCD-GOEBONIOSA-N 2 1 339.505 1.681 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000740884269 579388259 /nfs/dbraw/zinc/38/82/59/579388259.db2.gz SXNKOVLWMGEKCD-GOEBONIOSA-N 2 1 339.505 1.681 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742107985 579434916 /nfs/dbraw/zinc/43/49/16/579434916.db2.gz ZEYBVJAYOQFYQL-QGZVFWFLSA-N 2 1 325.497 1.679 20 0 EDADMP Cc1nc(CCC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cs1 ZINC000733164426 578745453 /nfs/dbraw/zinc/74/54/53/578745453.db2.gz SKZPZHFAYLIZGF-UHFFFAOYSA-N 2 1 338.521 1.869 20 0 EDADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000734280653 578805106 /nfs/dbraw/zinc/80/51/06/578805106.db2.gz ODTPQDIVHYQVNW-KRWDZBQOSA-N 2 1 336.480 1.119 20 0 EDADMP COC(=O)N1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000760868746 580040199 /nfs/dbraw/zinc/04/01/99/580040199.db2.gz GSZZHPXFBRWZGT-INIZCTEOSA-N 2 1 325.453 1.450 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H](O)c2ccccc2)CC1 ZINC000746158232 579574456 /nfs/dbraw/zinc/57/44/56/579574456.db2.gz CNGLKXBIDGNQJF-QGZVFWFLSA-N 2 1 326.400 1.506 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC[C@H]21 ZINC000766989431 580179224 /nfs/dbraw/zinc/17/92/24/580179224.db2.gz GSSIDKPBMMWUQQ-DOTOQJQBSA-N 2 1 337.489 1.293 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3ccc(S(N)(=O)=O)cc3)CC[C@H]21 ZINC000766989431 580179225 /nfs/dbraw/zinc/17/92/25/580179225.db2.gz GSSIDKPBMMWUQQ-DOTOQJQBSA-N 2 1 337.489 1.293 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccc(S(N)(=O)=O)cc3)CC[C@H]21 ZINC000766989431 580179226 /nfs/dbraw/zinc/17/92/26/580179226.db2.gz GSSIDKPBMMWUQQ-DOTOQJQBSA-N 2 1 337.489 1.293 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](CCO)C(C)C)cc2)CC1 ZINC000778565699 580467597 /nfs/dbraw/zinc/46/75/97/580467597.db2.gz GPBKSWXOEMOCRR-UHFFFAOYSA-N 2 1 348.491 1.470 20 0 EDADMP CC(C)N(C(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1)C(C)C ZINC000779654530 580493531 /nfs/dbraw/zinc/49/35/31/580493531.db2.gz OPGQEHQVOOIPKB-AWEZNQCLSA-N 2 1 328.457 1.239 20 0 EDADMP CC(C)N(C(=O)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1)C(C)C ZINC000779654530 580493532 /nfs/dbraw/zinc/49/35/32/580493532.db2.gz OPGQEHQVOOIPKB-AWEZNQCLSA-N 2 1 328.457 1.239 20 0 EDADMP CC(C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000794601698 580899496 /nfs/dbraw/zinc/89/94/96/580899496.db2.gz AZEFACSBOIQVJR-RTBURBONSA-N 2 1 333.476 1.498 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000891855051 590656199 /nfs/dbraw/zinc/65/61/99/590656199.db2.gz HRJIGTRYFDTODH-HYVNUMGLSA-N 2 1 348.516 1.735 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000891855051 590656202 /nfs/dbraw/zinc/65/62/02/590656202.db2.gz HRJIGTRYFDTODH-HYVNUMGLSA-N 2 1 348.516 1.735 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000893115012 590668266 /nfs/dbraw/zinc/66/82/66/590668266.db2.gz ZXEZQYCPSVLHHK-IRXDYDNUSA-N 2 1 340.512 1.328 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893190701 590703129 /nfs/dbraw/zinc/70/31/29/590703129.db2.gz FSJHGGZINLBICX-DLBZAZTESA-N 2 1 349.479 1.212 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000893190701 590703133 /nfs/dbraw/zinc/70/31/33/590703133.db2.gz FSJHGGZINLBICX-DLBZAZTESA-N 2 1 349.479 1.212 20 0 EDADMP C[N@@H+](CCCCNC(=O)N1CCc2sc(C[NH3+])nc2C1)C1CC1 ZINC000891953231 590704293 /nfs/dbraw/zinc/70/42/93/590704293.db2.gz OFXSSNDWLRDOPP-UHFFFAOYSA-N 2 1 337.493 1.544 20 0 EDADMP C[C@@]12CN(C(=O)NC3CC[NH2+]CC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000891961065 590709625 /nfs/dbraw/zinc/70/96/25/590709625.db2.gz GTAYZUTUEYYWQK-FXAWDEMLSA-N 2 1 342.487 1.902 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000891980437 590722011 /nfs/dbraw/zinc/72/20/11/590722011.db2.gz VIBYHTFXQDISSW-QZTJIDSGSA-N 2 1 330.476 1.868 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH2+]C2CC2)C1 ZINC000891988702 590728701 /nfs/dbraw/zinc/72/87/01/590728701.db2.gz JJHKEZVWQICTAF-GOSISDBHSA-N 2 1 346.475 1.247 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NCC[NH2+]C2CC2)C1 ZINC000891988702 590728705 /nfs/dbraw/zinc/72/87/05/590728705.db2.gz JJHKEZVWQICTAF-GOSISDBHSA-N 2 1 346.475 1.247 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000893249410 590735125 /nfs/dbraw/zinc/73/51/25/590735125.db2.gz QWHSWCNTFJMOMK-DLBZAZTESA-N 2 1 338.496 1.101 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000892000172 590737274 /nfs/dbraw/zinc/73/72/74/590737274.db2.gz PTEXCNDAZBOCPL-AEFFLSMTSA-N 2 1 330.476 1.868 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000892258334 590891622 /nfs/dbraw/zinc/89/16/22/590891622.db2.gz UNJVHFJMZRNPSM-HOTGVXAUSA-N 2 1 340.431 1.421 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000892258334 590891626 /nfs/dbraw/zinc/89/16/26/590891626.db2.gz UNJVHFJMZRNPSM-HOTGVXAUSA-N 2 1 340.431 1.421 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892321998 590943748 /nfs/dbraw/zinc/94/37/48/590943748.db2.gz GXVZHMWCOKXVDO-RYQLBKOJSA-N 2 1 330.476 1.887 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1CCOC ZINC000892444776 591030257 /nfs/dbraw/zinc/03/02/57/591030257.db2.gz IEDFSXJJBXEWFS-BRWVUGGUSA-N 2 1 340.512 1.646 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000892479820 591041924 /nfs/dbraw/zinc/04/19/24/591041924.db2.gz PNJQUEOBTHVRLO-IRXDYDNUSA-N 2 1 346.475 1.473 20 0 EDADMP CN(C(=O)NCc1ccccc1OCC[NH+](C)C)[C@H]1CCC[N@@H+](C)C1 ZINC000892479892 591042218 /nfs/dbraw/zinc/04/22/18/591042218.db2.gz SNYXRBMFOMLKPQ-KRWDZBQOSA-N 2 1 348.491 1.863 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000892530761 591061035 /nfs/dbraw/zinc/06/10/35/591061035.db2.gz XDAYLNHNFMYXNL-BPQIPLTHSA-N 2 1 346.475 1.327 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000891410978 591069616 /nfs/dbraw/zinc/06/96/16/591069616.db2.gz BOPVOOGVCSGQTP-CTYIDZIISA-N 2 1 336.505 1.923 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000891410978 591069621 /nfs/dbraw/zinc/06/96/21/591069621.db2.gz BOPVOOGVCSGQTP-CTYIDZIISA-N 2 1 336.505 1.923 20 0 EDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892565802 591074663 /nfs/dbraw/zinc/07/46/63/591074663.db2.gz KVDGXSDIYSUVPW-LNLFQRSKSA-N 2 1 346.475 1.002 20 0 EDADMP C[NH+]1CCC(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000892582202 591080508 /nfs/dbraw/zinc/08/05/08/591080508.db2.gz GCMXCRVZDGULRR-UHFFFAOYSA-N 3 1 344.503 1.506 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892615266 591097888 /nfs/dbraw/zinc/09/78/88/591097888.db2.gz PKWRZHQLRNIZFV-UKRRQHHQSA-N 2 1 338.402 1.717 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892615266 591097891 /nfs/dbraw/zinc/09/78/91/591097891.db2.gz PKWRZHQLRNIZFV-UKRRQHHQSA-N 2 1 338.402 1.717 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)c1cccc(F)c1 ZINC000891534207 591110270 /nfs/dbraw/zinc/11/02/70/591110270.db2.gz AZLLLTVHETYUTK-BHYGNILZSA-N 2 1 334.439 1.774 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891536065 591111365 /nfs/dbraw/zinc/11/13/65/591111365.db2.gz CDGSEXRNUHYHIZ-KRWDZBQOSA-N 2 1 346.475 1.242 20 0 EDADMP CN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1CCC[N@@H+](C)C1 ZINC000891534635 591111477 /nfs/dbraw/zinc/11/14/77/591111477.db2.gz NPHIBWRNEWKYKZ-ROUUACIJSA-N 2 1 332.492 1.895 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891538127 591112916 /nfs/dbraw/zinc/11/29/16/591112916.db2.gz QFKFTJPKXTWEGS-WMZOPIPTSA-N 2 1 338.496 1.272 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891580572 591135974 /nfs/dbraw/zinc/13/59/74/591135974.db2.gz XZXLBUWDWLHCNG-KGLIPLIRSA-N 2 1 332.439 1.795 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000891590886 591138454 /nfs/dbraw/zinc/13/84/54/591138454.db2.gz FCCFTIZQWMIRNC-DKIMLUQUSA-N 2 1 346.475 1.312 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000891590886 591138455 /nfs/dbraw/zinc/13/84/55/591138455.db2.gz FCCFTIZQWMIRNC-DKIMLUQUSA-N 2 1 346.475 1.312 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21)Cc1ccccc1 ZINC000891626676 591155958 /nfs/dbraw/zinc/15/59/58/591155958.db2.gz MTOXFGAYPXPKGD-QZTJIDSGSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)Cc1ccccc1 ZINC000891626676 591155961 /nfs/dbraw/zinc/15/59/61/591155961.db2.gz MTOXFGAYPXPKGD-QZTJIDSGSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)Cc1ccccc1 ZINC000891626676 591155965 /nfs/dbraw/zinc/15/59/65/591155965.db2.gz MTOXFGAYPXPKGD-QZTJIDSGSA-N 2 1 330.476 1.854 20 0 EDADMP [NH3+][C@@H]1CCCCCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000891685531 591184818 /nfs/dbraw/zinc/18/48/18/591184818.db2.gz NJOZQIVKSWTTRM-IKGGRYGDSA-N 2 1 338.496 1.543 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cnc[nH]3)c2)C1 ZINC000894252972 591248821 /nfs/dbraw/zinc/24/88/21/591248821.db2.gz UHNVZDFYFQKDLW-INIZCTEOSA-N 2 1 327.432 1.397 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cnc[nH]3)c2)C1 ZINC000894252972 591248824 /nfs/dbraw/zinc/24/88/24/591248824.db2.gz UHNVZDFYFQKDLW-INIZCTEOSA-N 2 1 327.432 1.397 20 0 EDADMP C[NH+]1CCN(C2CC[NH+]([C@H]3CCC4(C[C@H]3F)OCCO4)CC2)CC1 ZINC000895845183 591283690 /nfs/dbraw/zinc/28/36/90/591283690.db2.gz KQQUMZSLWZNREM-SJORKVTESA-N 2 1 341.471 1.332 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000895887599 591297258 /nfs/dbraw/zinc/29/72/58/591297258.db2.gz DGLMJLKWFRRPCW-RTBURBONSA-N 2 1 345.487 1.906 20 0 EDADMP CC(C)(C)OC(=O)NOCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000897425807 591383226 /nfs/dbraw/zinc/38/32/26/591383226.db2.gz FGOMDNFMDLHLHD-OAHLLOKOSA-N 2 1 343.468 1.676 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000897438272 591451310 /nfs/dbraw/zinc/45/13/10/591451310.db2.gz UOJQAIXUBYZYRY-INIZCTEOSA-N 2 1 338.496 1.082 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897545402 591545105 /nfs/dbraw/zinc/54/51/05/591545105.db2.gz NPAYDDNCZWZQRL-KRWDZBQOSA-N 2 1 342.528 1.718 20 0 EDADMP C[N@H+]1CCCC[C@H](CNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000896609459 591552330 /nfs/dbraw/zinc/55/23/30/591552330.db2.gz NVDZEBJWYITBRD-OAGGEKHMSA-N 2 1 340.537 1.597 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000896609459 591552334 /nfs/dbraw/zinc/55/23/34/591552334.db2.gz NVDZEBJWYITBRD-OAGGEKHMSA-N 2 1 340.537 1.597 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000896609459 591552336 /nfs/dbraw/zinc/55/23/36/591552336.db2.gz NVDZEBJWYITBRD-OAGGEKHMSA-N 2 1 340.537 1.597 20 0 EDADMP C[C@@H]1CN(CCN(C)C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C[C@H](C)O1 ZINC000897600785 591577958 /nfs/dbraw/zinc/57/79/58/591577958.db2.gz SPTFGVYRPZLULI-JKIFEVAISA-N 2 1 349.479 1.358 20 0 EDADMP C[C@@H]1CN(CCN(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H](C)O1 ZINC000897600785 591577960 /nfs/dbraw/zinc/57/79/60/591577960.db2.gz SPTFGVYRPZLULI-JKIFEVAISA-N 2 1 349.479 1.358 20 0 EDADMP C[C@@H]1CN(CCN(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H](C)O1 ZINC000897600785 591577963 /nfs/dbraw/zinc/57/79/63/591577963.db2.gz SPTFGVYRPZLULI-JKIFEVAISA-N 2 1 349.479 1.358 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897759274 591646708 /nfs/dbraw/zinc/64/67/08/591646708.db2.gz WSUWEMAFYVURGZ-KBRIMQKVSA-N 2 1 331.464 1.875 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000897759274 591646711 /nfs/dbraw/zinc/64/67/11/591646711.db2.gz WSUWEMAFYVURGZ-KBRIMQKVSA-N 2 1 331.464 1.875 20 0 EDADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000895318590 591710709 /nfs/dbraw/zinc/71/07/09/591710709.db2.gz PQOSCVXDKCUSGU-HDICACEKSA-N 2 1 341.455 1.445 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C2C[NH+](C3CCOCC3)C2)[C@H]1c1ccccc1 ZINC000897240777 591782529 /nfs/dbraw/zinc/78/25/29/591782529.db2.gz PTZSMVCWZNOICU-RBUKOAKNSA-N 2 1 343.471 1.659 20 0 EDADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)n[nH]1 ZINC000898105675 591799683 /nfs/dbraw/zinc/79/96/83/591799683.db2.gz LGWBPMIMYUERIM-INIZCTEOSA-N 2 1 347.463 1.113 20 0 EDADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)n[nH]1 ZINC000898105675 591799687 /nfs/dbraw/zinc/79/96/87/591799687.db2.gz LGWBPMIMYUERIM-INIZCTEOSA-N 2 1 347.463 1.113 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)CCN1c1cc[nH+]cc1 ZINC000895558155 591801339 /nfs/dbraw/zinc/80/13/39/591801339.db2.gz RVXNYBVVCQPZEI-AWEZNQCLSA-N 2 1 346.456 1.440 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000900020903 591871416 /nfs/dbraw/zinc/87/14/16/591871416.db2.gz VXTBGCXAKYXZFA-HKUYNNGSSA-N 2 1 331.460 1.354 20 0 EDADMP COc1c[nH]c(CO)c(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1=O ZINC000902195658 591942548 /nfs/dbraw/zinc/94/25/48/591942548.db2.gz MYLVLWHFBANHEB-DYVFJYSZSA-N 2 1 347.459 1.325 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000900214208 591945351 /nfs/dbraw/zinc/94/53/51/591945351.db2.gz BPIOVGSILHFQCK-INIZCTEOSA-N 2 1 335.496 1.829 20 0 EDADMP COc1nn(C)cc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902456703 591999282 /nfs/dbraw/zinc/99/92/82/591999282.db2.gz QVAGQFBLBRJLSS-CRAIPNDOSA-N 2 1 328.416 1.774 20 0 EDADMP Cc1ccc([C@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000900406224 592009386 /nfs/dbraw/zinc/00/93/86/592009386.db2.gz PBWXCDDHMPSTMQ-PKOBYXMFSA-N 2 1 333.476 1.561 20 0 EDADMP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)CC1 ZINC000900446590 592020324 /nfs/dbraw/zinc/02/03/24/592020324.db2.gz PHZIRMWSFPRXJL-OALUTQOASA-N 2 1 348.535 1.678 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)c1 ZINC000900585311 592070427 /nfs/dbraw/zinc/07/04/27/592070427.db2.gz YHWJUYHZDFGCPG-DOTOQJQBSA-N 2 1 344.459 1.756 20 0 EDADMP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900696498 592089361 /nfs/dbraw/zinc/08/93/61/592089361.db2.gz SZOZAERUXCCCNE-KURKYZTESA-N 2 1 336.524 1.393 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900696498 592089364 /nfs/dbraw/zinc/08/93/64/592089364.db2.gz SZOZAERUXCCCNE-KURKYZTESA-N 2 1 336.524 1.393 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900696498 592089367 /nfs/dbraw/zinc/08/93/67/592089367.db2.gz SZOZAERUXCCCNE-KURKYZTESA-N 2 1 336.524 1.393 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900744257 592116084 /nfs/dbraw/zinc/11/60/84/592116084.db2.gz CXYOPAKTYNOIKE-UGXKVIGPSA-N 2 1 349.519 1.963 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1Cc1n[nH]c(=O)n1C)C1CC[NH+](C)CC1 ZINC000903131499 592125686 /nfs/dbraw/zinc/12/56/86/592125686.db2.gz SOLQYQKLJUQMGD-NUEKZKHPSA-N 2 1 335.496 1.942 20 0 EDADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903148238 592129117 /nfs/dbraw/zinc/12/91/17/592129117.db2.gz RPOZMWDYUNWLDF-SLFFLAALSA-N 2 1 346.471 1.681 20 0 EDADMP C/C=C/[C@H](O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000900973163 592182163 /nfs/dbraw/zinc/18/21/63/592182163.db2.gz GLNYKJNUJNRFKH-WRFKIARRSA-N 2 1 337.508 1.578 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000900958778 592185354 /nfs/dbraw/zinc/18/53/54/592185354.db2.gz RGBUWLFRJUQAFZ-BZUAXINKSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000900958778 592185356 /nfs/dbraw/zinc/18/53/56/592185356.db2.gz RGBUWLFRJUQAFZ-BZUAXINKSA-N 2 1 339.480 1.251 20 0 EDADMP CCCCCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903509162 592189529 /nfs/dbraw/zinc/18/95/29/592189529.db2.gz CIGWXGGBOQBGSK-NXHRZFHOSA-N 2 1 336.524 1.582 20 0 EDADMP C[C@@]1([C@@H]2CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)COC(=O)N1 ZINC000903560860 592210057 /nfs/dbraw/zinc/21/00/57/592210057.db2.gz BZLQUTWOSHSSRY-DFEOGRTESA-N 2 1 347.459 1.128 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000906672210 592254128 /nfs/dbraw/zinc/25/41/28/592254128.db2.gz JGFPUVHJQQUIBO-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906674643 592255982 /nfs/dbraw/zinc/25/59/82/592255982.db2.gz CUIJESBRLHFNKD-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP Cc1nc2cc(CNC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)ccc2n1C1CC1 ZINC000908057903 592277917 /nfs/dbraw/zinc/27/79/17/592277917.db2.gz AHRGMBZJRQBOAM-KXBFYZLASA-N 2 1 342.443 1.751 20 0 EDADMP Cc1nc2cc(CNC(=O)[C@]3(C)C[C@H](O)CN3C)ccc2n1C1CC1 ZINC000908057903 592277919 /nfs/dbraw/zinc/27/79/19/592277919.db2.gz AHRGMBZJRQBOAM-KXBFYZLASA-N 2 1 342.443 1.751 20 0 EDADMP C[N@@H+](C[C@@H](O)COCc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725615 592285305 /nfs/dbraw/zinc/28/53/05/592285305.db2.gz DSGMWGOMUNUUJP-MOPGFXCFSA-N 2 1 348.487 1.655 20 0 EDADMP O=C([C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CCCC1 ZINC000903728443 592286169 /nfs/dbraw/zinc/28/61/69/592286169.db2.gz BMHZNLHAVMMPSQ-DLBZAZTESA-N 2 1 335.492 1.480 20 0 EDADMP c1nn(-c2ccccc2)c2c1C[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903733188 592290560 /nfs/dbraw/zinc/29/05/60/592290560.db2.gz IUKFOWFDCGMZHL-QUCCMNQESA-N 2 1 338.455 1.999 20 0 EDADMP c1nn(-c2ccccc2)c2c1C[N@@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903733188 592290564 /nfs/dbraw/zinc/29/05/64/592290564.db2.gz IUKFOWFDCGMZHL-QUCCMNQESA-N 2 1 338.455 1.999 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@@H](C)C1 ZINC000904597550 592292597 /nfs/dbraw/zinc/29/25/97/592292597.db2.gz TYFOGIDLQJYBBH-KBPBESRZSA-N 2 1 334.464 1.799 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903739016 592300907 /nfs/dbraw/zinc/30/09/07/592300907.db2.gz AVVDHCVQVMLRHW-FUHWJXTLSA-N 3 1 339.524 1.170 20 0 EDADMP Cn1nccc1[C@H]1[C@H]([NH2+]C[C@H]2CCCC[NH2+]C2)CC(=O)N1C1CC1 ZINC000903760444 592306510 /nfs/dbraw/zinc/30/65/10/592306510.db2.gz WOXYUVDJRSFOPS-JCKWVBRZSA-N 2 1 331.464 1.204 20 0 EDADMP CC(C)(C[NH3+])C1CC[NH+](CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000903788950 592323239 /nfs/dbraw/zinc/32/32/39/592323239.db2.gz KUSQXQKYQYLNMO-UHFFFAOYSA-N 2 1 344.459 1.669 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000901291172 592327287 /nfs/dbraw/zinc/32/72/87/592327287.db2.gz HABKKHLRMFVFQC-MJGOQNOKSA-N 2 1 331.460 1.719 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000901291172 592327291 /nfs/dbraw/zinc/32/72/91/592327291.db2.gz HABKKHLRMFVFQC-MJGOQNOKSA-N 2 1 331.460 1.719 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NC[C@H]1CCN(c3ccccc3)C1)C2 ZINC000903843084 592342979 /nfs/dbraw/zinc/34/29/79/592342979.db2.gz BQVPFCGGLOFVMB-NTDBWNAOSA-N 2 1 342.487 1.441 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NC[C@H]1CCN(c3ccccc3)C1)C2 ZINC000903843084 592342984 /nfs/dbraw/zinc/34/29/84/592342984.db2.gz BQVPFCGGLOFVMB-NTDBWNAOSA-N 2 1 342.487 1.441 20 0 EDADMP Cc1c(C[C@H](C[NH3+])CN2CCC[N@H+](C3CCCC3)CC2)cnn1C ZINC000903888404 592351084 /nfs/dbraw/zinc/35/10/84/592351084.db2.gz BAIDLKWIPQKSMZ-QGZVFWFLSA-N 2 1 333.524 1.796 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCN(c3ccc(F)cc3)CC2)cnn1C ZINC000903872819 592354111 /nfs/dbraw/zinc/35/41/11/592354111.db2.gz JJJWYMYPVQCMER-INIZCTEOSA-N 2 1 345.466 1.807 20 0 EDADMP Cc1noc([C@@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903885366 592363117 /nfs/dbraw/zinc/36/31/17/592363117.db2.gz GAFPNKUFPXHBPC-KGLIPLIRSA-N 2 1 331.424 1.274 20 0 EDADMP Cc1noc([C@@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903885366 592363124 /nfs/dbraw/zinc/36/31/24/592363124.db2.gz GAFPNKUFPXHBPC-KGLIPLIRSA-N 2 1 331.424 1.274 20 0 EDADMP CCN1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]1c1nccn1C ZINC000903914497 592364654 /nfs/dbraw/zinc/36/46/54/592364654.db2.gz IBGOTEBQUISNKC-IBGZPJMESA-N 2 1 339.487 1.945 20 0 EDADMP C[N@@H+](CCN1CCN(C[C@H]([NH3+])CC(F)F)CC1)Cc1ccccc1 ZINC000903892351 592364876 /nfs/dbraw/zinc/36/48/76/592364876.db2.gz RFCVPSZAMUDAJN-QGZVFWFLSA-N 2 1 340.462 1.719 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cnn1C ZINC000903914398 592364899 /nfs/dbraw/zinc/36/48/99/592364899.db2.gz UMVWXBLGYZOWCT-NIKGAXFTSA-N 2 1 346.450 1.793 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cnn1C ZINC000903914398 592364900 /nfs/dbraw/zinc/36/49/00/592364900.db2.gz UMVWXBLGYZOWCT-NIKGAXFTSA-N 2 1 346.450 1.793 20 0 EDADMP Cc1nnc([C@@H]2CCC[N@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)[nH]1 ZINC000903898369 592368569 /nfs/dbraw/zinc/36/85/69/592368569.db2.gz KHXPWSCGXDFICI-HUUCEWRRSA-N 2 1 331.468 1.152 20 0 EDADMP Cc1n[nH]c([C@@H]2CCC[N@@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903898369 592368573 /nfs/dbraw/zinc/36/85/73/592368573.db2.gz KHXPWSCGXDFICI-HUUCEWRRSA-N 2 1 331.468 1.152 20 0 EDADMP Cc1n[nH]c([C@@H]2CCC[N@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903898369 592368579 /nfs/dbraw/zinc/36/85/79/592368579.db2.gz KHXPWSCGXDFICI-HUUCEWRRSA-N 2 1 331.468 1.152 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH2+]Cc2ccc(F)c(CN(C)C)c2)cnn1C ZINC000903924252 592378998 /nfs/dbraw/zinc/37/89/98/592378998.db2.gz AMYRFEUOMDAYKY-MRXNPFEDSA-N 2 1 347.482 1.836 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000908202079 592379644 /nfs/dbraw/zinc/37/96/44/592379644.db2.gz IFEWPQOGSGVXLK-ROUUACIJSA-N 2 1 331.460 1.081 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](Oc3ccccc3)C2)cnn1C ZINC000903932163 592383932 /nfs/dbraw/zinc/38/39/32/592383932.db2.gz NJUQYEOSUCHWKO-APWZRJJASA-N 2 1 328.460 1.999 20 0 EDADMP Cc1csc([C@@H]2CC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903937128 592387972 /nfs/dbraw/zinc/38/79/72/592387972.db2.gz BUVKTBSZNXOYLC-KGLIPLIRSA-N 2 1 332.477 1.957 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905059935 592396965 /nfs/dbraw/zinc/39/69/65/592396965.db2.gz JQBQHZTTXIAEGC-OALUTQOASA-N 2 1 336.476 1.562 20 0 EDADMP O[C@@H](CCOCc1ccccc1)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000905073574 592403126 /nfs/dbraw/zinc/40/31/26/592403126.db2.gz DTCIXENIYXIGAE-CEXWTWQISA-N 2 1 334.460 1.407 20 0 EDADMP O[C@@H](CCOCc1ccccc1)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000905073574 592403130 /nfs/dbraw/zinc/40/31/30/592403130.db2.gz DTCIXENIYXIGAE-CEXWTWQISA-N 2 1 334.460 1.407 20 0 EDADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC000905098486 592404281 /nfs/dbraw/zinc/40/42/81/592404281.db2.gz SSYSUIKFJISLFR-UFYCRDLUSA-N 2 1 348.487 1.043 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCS[C@@H](C(F)(F)F)C2)C1 ZINC000903986181 592405322 /nfs/dbraw/zinc/40/53/22/592405322.db2.gz HHESIJOHLDYHOF-WDEREUQCSA-N 2 1 325.400 1.163 20 0 EDADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)C3(O)CCC3)CC2)oc1C ZINC000905104681 592408386 /nfs/dbraw/zinc/40/83/86/592408386.db2.gz PXTVZTCDRCHGDP-MRXNPFEDSA-N 2 1 337.464 1.369 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)CC2(CO)CCCC2)CCCO1 ZINC000905232331 592459486 /nfs/dbraw/zinc/45/94/86/592459486.db2.gz NKDDBDWUEWVKON-IRXDYDNUSA-N 2 1 328.497 1.381 20 0 EDADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905357798 592506127 /nfs/dbraw/zinc/50/61/27/592506127.db2.gz BUAPVTQEDSCVRN-OTWHNJEPSA-N 2 1 348.487 1.125 20 0 EDADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905357798 592506129 /nfs/dbraw/zinc/50/61/29/592506129.db2.gz BUAPVTQEDSCVRN-OTWHNJEPSA-N 2 1 348.487 1.125 20 0 EDADMP O=C(Nc1ccccc1O)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000908560901 592539698 /nfs/dbraw/zinc/53/96/98/592539698.db2.gz QOBZGOAYQFZVKU-INIZCTEOSA-N 2 1 347.459 1.499 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)C2)[C@@H]1C(C)C ZINC000905503735 592546867 /nfs/dbraw/zinc/54/68/67/592546867.db2.gz UEJWLPJMRAJHEJ-MRLBHPIUSA-N 2 1 338.414 1.759 20 0 EDADMP CC(C)OCC[C@H](O)C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000905497135 592553736 /nfs/dbraw/zinc/55/37/36/592553736.db2.gz WYHPKKPCUVTEDP-PNKHAZJDSA-N 2 1 328.497 1.232 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC[S@@](=O)C(F)(F)F)CC1 ZINC000905932696 592687695 /nfs/dbraw/zinc/68/76/95/592687695.db2.gz NXKJIQDBEUGERS-WIUDPPPLSA-N 2 1 330.416 1.280 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000907658461 592745514 /nfs/dbraw/zinc/74/55/14/592745514.db2.gz VBOCJPFBTNHHDP-UHFFFAOYSA-N 2 1 326.529 1.593 20 0 EDADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccn1CCN1CCOCC1 ZINC000906238456 592768639 /nfs/dbraw/zinc/76/86/39/592768639.db2.gz DVLZXSJDGAPICS-IRXDYDNUSA-N 2 1 346.475 1.177 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000909212551 592771072 /nfs/dbraw/zinc/77/10/72/592771072.db2.gz OVFLWCAYDZVVMB-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP Cn1ccnc1CNc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000907805546 592788970 /nfs/dbraw/zinc/78/89/70/592788970.db2.gz UPARTYYRBCTXEX-IYBDPMFKSA-N 2 1 339.443 1.666 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000907862230 592819404 /nfs/dbraw/zinc/81/94/04/592819404.db2.gz NRACXLNOCDKIDH-ZHALLVOQSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000907862230 592819408 /nfs/dbraw/zinc/81/94/08/592819408.db2.gz NRACXLNOCDKIDH-ZHALLVOQSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000907862230 592819412 /nfs/dbraw/zinc/81/94/12/592819412.db2.gz NRACXLNOCDKIDH-ZHALLVOQSA-N 2 1 331.460 1.080 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000907878553 592826500 /nfs/dbraw/zinc/82/65/00/592826500.db2.gz SUBLPEYDIAOKIA-AJYBTWMASA-N 2 1 343.471 1.032 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000907878553 592826502 /nfs/dbraw/zinc/82/65/02/592826502.db2.gz SUBLPEYDIAOKIA-AJYBTWMASA-N 2 1 343.471 1.032 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000907878553 592826505 /nfs/dbraw/zinc/82/65/05/592826505.db2.gz SUBLPEYDIAOKIA-AJYBTWMASA-N 2 1 343.471 1.032 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000906581188 592857676 /nfs/dbraw/zinc/85/76/76/592857676.db2.gz SULXMLUPIDNQLG-SJORKVTESA-N 2 1 325.497 1.678 20 0 EDADMP O=C(N1CCC[N@@H+](Cc2ccccc2)CC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911637967 592962308 /nfs/dbraw/zinc/96/23/08/592962308.db2.gz YWUPOYCFUCJXDQ-QUCCMNQESA-N 2 1 343.471 1.347 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736854212 593042258 /nfs/dbraw/zinc/04/22/58/593042258.db2.gz BOWXOPIHIAIQPB-INIZCTEOSA-N 2 1 341.463 1.079 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736854212 593042259 /nfs/dbraw/zinc/04/22/59/593042259.db2.gz BOWXOPIHIAIQPB-INIZCTEOSA-N 2 1 341.463 1.079 20 0 EDADMP C[C@@H](CNC(=O)NCCCCN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000737036831 593053692 /nfs/dbraw/zinc/05/36/92/593053692.db2.gz MCERPMKDPPFDET-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000912297186 593083992 /nfs/dbraw/zinc/08/39/92/593083992.db2.gz QOSKXRGXWQODPY-LSDHHAIUSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000912297186 593083993 /nfs/dbraw/zinc/08/39/93/593083993.db2.gz QOSKXRGXWQODPY-LSDHHAIUSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000912297186 593083994 /nfs/dbraw/zinc/08/39/94/593083994.db2.gz QOSKXRGXWQODPY-LSDHHAIUSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000912297186 593083995 /nfs/dbraw/zinc/08/39/95/593083995.db2.gz QOSKXRGXWQODPY-LSDHHAIUSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)CC(C)(C)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000838830051 593220549 /nfs/dbraw/zinc/22/05/49/593220549.db2.gz RAZAPDRYYTWSFA-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCOC(=O)CC(C)(C)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000838830051 593220551 /nfs/dbraw/zinc/22/05/51/593220551.db2.gz RAZAPDRYYTWSFA-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000838939126 593242362 /nfs/dbraw/zinc/24/23/62/593242362.db2.gz YBXUYXPKPQAAOC-CABCVRRESA-N 2 1 339.480 1.744 20 0 EDADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000838939126 593242364 /nfs/dbraw/zinc/24/23/64/593242364.db2.gz YBXUYXPKPQAAOC-CABCVRRESA-N 2 1 339.480 1.744 20 0 EDADMP CN1CC[NH+](CCCCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810112163 593384274 /nfs/dbraw/zinc/38/42/74/593384274.db2.gz KRMFVWPFDDLMFN-SFHVURJKSA-N 2 1 342.503 1.343 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810112163 593384276 /nfs/dbraw/zinc/38/42/76/593384276.db2.gz KRMFVWPFDDLMFN-SFHVURJKSA-N 2 1 342.503 1.343 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810112163 593384279 /nfs/dbraw/zinc/38/42/79/593384279.db2.gz KRMFVWPFDDLMFN-SFHVURJKSA-N 2 1 342.503 1.343 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030746 593395024 /nfs/dbraw/zinc/39/50/24/593395024.db2.gz MNCWDXWMCOUHFD-OOBKVVHMSA-N 2 1 345.487 1.781 20 0 EDADMP CC1(C)[C@H](O)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000812866044 593511160 /nfs/dbraw/zinc/51/11/60/593511160.db2.gz XEAHNRKQCQKOIQ-GOSISDBHSA-N 2 1 345.487 1.744 20 0 EDADMP O=C1CC[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C(=O)N1 ZINC000814639848 593599068 /nfs/dbraw/zinc/59/90/68/593599068.db2.gz GUYQKAVQAFHGBZ-KRWDZBQOSA-N 2 1 341.455 1.780 20 0 EDADMP COC[C@]1(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)CCC[NH2+]1 ZINC000817975086 593652746 /nfs/dbraw/zinc/65/27/46/593652746.db2.gz QNOASOVYGPLXOL-MLGOLLRUSA-N 2 1 340.855 1.810 20 0 EDADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(S(=O)(=O)N(C)C)o1)CC[NH2+]CC2 ZINC000818340427 593693741 /nfs/dbraw/zinc/69/37/41/593693741.db2.gz MJMJQQKWMZKPEV-ZDUSSCGKSA-N 2 1 341.477 1.494 20 0 EDADMP Cc1ccc([C@H](O)C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000818998619 593733249 /nfs/dbraw/zinc/73/32/49/593733249.db2.gz SYTLHGHQGVFXNZ-QZTJIDSGSA-N 2 1 333.476 1.561 20 0 EDADMP Cc1ccc([C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000818998619 593733250 /nfs/dbraw/zinc/73/32/50/593733250.db2.gz SYTLHGHQGVFXNZ-QZTJIDSGSA-N 2 1 333.476 1.561 20 0 EDADMP C[N@@H+](CCCOc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000821600184 593875160 /nfs/dbraw/zinc/87/51/60/593875160.db2.gz BCNMSBVZGYPGAL-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP C[NH+](CCCOc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000821600184 593875164 /nfs/dbraw/zinc/87/51/64/593875164.db2.gz BCNMSBVZGYPGAL-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP C[NH+](CCCOc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000821600184 593875168 /nfs/dbraw/zinc/87/51/68/593875168.db2.gz BCNMSBVZGYPGAL-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000821109583 593967370 /nfs/dbraw/zinc/96/73/70/593967370.db2.gz MKJLDIOWKIRZMK-CQSZACIVSA-N 2 1 330.436 1.697 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000821252731 593997347 /nfs/dbraw/zinc/99/73/47/593997347.db2.gz BLWYIBZZVOFHFP-JQFCIGGWSA-N 2 1 344.463 1.705 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000821252731 593997350 /nfs/dbraw/zinc/99/73/50/593997350.db2.gz BLWYIBZZVOFHFP-JQFCIGGWSA-N 2 1 344.463 1.705 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000821252731 593997353 /nfs/dbraw/zinc/99/73/53/593997353.db2.gz BLWYIBZZVOFHFP-JQFCIGGWSA-N 2 1 344.463 1.705 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000821252731 593997354 /nfs/dbraw/zinc/99/73/54/593997354.db2.gz BLWYIBZZVOFHFP-JQFCIGGWSA-N 2 1 344.463 1.705 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(CO)cc2)CC1 ZINC000823300088 594182084 /nfs/dbraw/zinc/18/20/84/594182084.db2.gz KQAVJCDYKVQPAE-UHFFFAOYSA-N 2 1 326.400 1.578 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000828054137 594331442 /nfs/dbraw/zinc/33/14/42/594331442.db2.gz UEYFEFISNILPAD-ZDUSSCGKSA-N 2 1 340.855 1.394 20 0 EDADMP CC(C)CC(=O)CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000828062658 594332755 /nfs/dbraw/zinc/33/27/55/594332755.db2.gz OCJDZNFCELCFAC-UHFFFAOYSA-N 2 1 337.508 1.868 20 0 EDADMP COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000826167482 594358851 /nfs/dbraw/zinc/35/88/51/594358851.db2.gz GFBAIYIXEBSTKV-UHFFFAOYSA-N 2 1 341.419 1.902 20 0 EDADMP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000826167482 594358853 /nfs/dbraw/zinc/35/88/53/594358853.db2.gz GFBAIYIXEBSTKV-UHFFFAOYSA-N 2 1 341.419 1.902 20 0 EDADMP C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000830301780 594371038 /nfs/dbraw/zinc/37/10/38/594371038.db2.gz VOZRNADELRWKRV-QGTPRVQTSA-N 2 1 331.460 1.520 20 0 EDADMP C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000830301780 594371042 /nfs/dbraw/zinc/37/10/42/594371042.db2.gz VOZRNADELRWKRV-QGTPRVQTSA-N 2 1 331.460 1.520 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000828395316 594409039 /nfs/dbraw/zinc/40/90/39/594409039.db2.gz JGZUWDOODYRAPN-CYBMUJFWSA-N 2 1 328.844 1.128 20 0 EDADMP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000826514366 594513397 /nfs/dbraw/zinc/51/33/97/594513397.db2.gz PLZPPKZSJKNIFX-UHFFFAOYSA-N 2 1 341.463 1.080 20 0 EDADMP Cc1ccc(N2CCC[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)cc1 ZINC000841003078 594837729 /nfs/dbraw/zinc/83/77/29/594837729.db2.gz MHSWFRSAUDTERM-SFHVURJKSA-N 2 1 344.503 1.704 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)NCC(F)(F)C[NH3+])cc2)CC1 ZINC000841018192 594840426 /nfs/dbraw/zinc/84/04/26/594840426.db2.gz QSMLMFYWIALLEF-UHFFFAOYSA-N 2 1 341.406 1.544 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)c1 ZINC000841050429 594844489 /nfs/dbraw/zinc/84/44/89/594844489.db2.gz GYMISHBDVQKDDK-AWEZNQCLSA-N 2 1 332.448 1.335 20 0 EDADMP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000841851142 594965368 /nfs/dbraw/zinc/96/53/68/594965368.db2.gz OPJQCUCBERPDPJ-BBRMVZONSA-N 2 1 337.851 1.582 20 0 EDADMP COc1cc(-c2noc(C[NH2+]C3CC3)n2)ccc1OCC[NH+](C)C ZINC000843200801 595031789 /nfs/dbraw/zinc/03/17/89/595031789.db2.gz KLWWFJKNNUVFPL-UHFFFAOYSA-N 2 1 332.404 1.938 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1)N1CC[NH2+]CC1 ZINC000843348011 595081961 /nfs/dbraw/zinc/08/19/61/595081961.db2.gz ZRDPNLMKADHRJP-LLVKDONJSA-N 2 1 328.869 1.440 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000842510331 595122991 /nfs/dbraw/zinc/12/29/91/595122991.db2.gz OCZLCBODVDHIDQ-UHFFFAOYSA-N 2 1 338.540 1.831 20 0 EDADMP CCCCCC[N@H+](C)CC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000842510331 595122994 /nfs/dbraw/zinc/12/29/94/595122994.db2.gz OCZLCBODVDHIDQ-UHFFFAOYSA-N 2 1 338.540 1.831 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000842510331 595122996 /nfs/dbraw/zinc/12/29/96/595122996.db2.gz OCZLCBODVDHIDQ-UHFFFAOYSA-N 2 1 338.540 1.831 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000834564477 595163738 /nfs/dbraw/zinc/16/37/38/595163738.db2.gz LBZYLQAELLQKGE-DLBZAZTESA-N 2 1 329.460 1.114 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)cn1 ZINC000844172140 595290883 /nfs/dbraw/zinc/29/08/83/595290883.db2.gz ZESVIDAESQNRCU-CYBMUJFWSA-N 2 1 335.358 1.437 20 0 EDADMP O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844173306 595291323 /nfs/dbraw/zinc/29/13/23/595291323.db2.gz TZNXUPVHQIGMAS-MSOLQXFVSA-N 2 1 331.460 1.536 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@H](C)OC3=O)CC2)CC1 ZINC000848073028 595315058 /nfs/dbraw/zinc/31/50/58/595315058.db2.gz IBMXXBOEKZQOAI-XJKSGUPXSA-N 2 1 337.464 1.003 20 0 EDADMP COC(=O)[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000844428845 595342207 /nfs/dbraw/zinc/34/22/07/595342207.db2.gz MSNXEDMMDKJVGZ-OKZBNKHCSA-N 2 1 332.444 1.332 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000844428845 595342209 /nfs/dbraw/zinc/34/22/09/595342209.db2.gz MSNXEDMMDKJVGZ-OKZBNKHCSA-N 2 1 332.444 1.332 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cn2cc(-c3ccncn3)cn2)C1 ZINC000848481019 595390893 /nfs/dbraw/zinc/39/08/93/595390893.db2.gz UUOGHIAWZJDMTL-KRWDZBQOSA-N 2 1 344.463 1.730 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cn2cc(-c3ccncn3)cn2)C1 ZINC000848481019 595390895 /nfs/dbraw/zinc/39/08/95/595390895.db2.gz UUOGHIAWZJDMTL-KRWDZBQOSA-N 2 1 344.463 1.730 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CCO)C3CC3)CC2)CC1 ZINC000847585163 595452932 /nfs/dbraw/zinc/45/29/32/595452932.db2.gz OTPRVAJUUKWLEM-GOSISDBHSA-N 2 1 337.508 1.460 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCCCCO)CC2)CC1 ZINC000847662396 595465041 /nfs/dbraw/zinc/46/50/41/595465041.db2.gz NOENWBVXMDXSDT-UHFFFAOYSA-N 2 1 339.524 1.852 20 0 EDADMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000849013279 595474803 /nfs/dbraw/zinc/47/48/03/595474803.db2.gz ZYTMNTWSRHMYLN-GOSISDBHSA-N 2 1 348.491 1.708 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[C@@H]1COc2ccccc2O1 ZINC000849096496 595481398 /nfs/dbraw/zinc/48/13/98/595481398.db2.gz LHZHALHVSDCSDV-OAHLLOKOSA-N 2 1 348.447 1.053 20 0 EDADMP O=C1N(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]2CCCCN12 ZINC000850563036 595535745 /nfs/dbraw/zinc/53/57/45/595535745.db2.gz QVCOQHZOPFRMQS-IRXDYDNUSA-N 2 1 336.480 1.119 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC[NH+](C3CCC3)CC2)cn1 ZINC000849545178 595560737 /nfs/dbraw/zinc/56/07/37/595560737.db2.gz LNRSDFYKMLBAPU-QZTJIDSGSA-N 2 1 345.491 1.152 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)C(C)(C)C[NH+](C)C ZINC000849552248 595562961 /nfs/dbraw/zinc/56/29/61/595562961.db2.gz MVRZIAWJAHRACY-USXIJHARSA-N 2 1 349.523 1.548 20 0 EDADMP CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[C@@H]1C ZINC000849569896 595574008 /nfs/dbraw/zinc/57/40/08/595574008.db2.gz XAZHYWKZCMLJSQ-UAGQMJEPSA-N 2 1 333.480 1.008 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C[C@@H]1C ZINC000849569896 595574010 /nfs/dbraw/zinc/57/40/10/595574010.db2.gz XAZHYWKZCMLJSQ-UAGQMJEPSA-N 2 1 333.480 1.008 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C[C@@H]1C ZINC000849569896 595574012 /nfs/dbraw/zinc/57/40/12/595574012.db2.gz XAZHYWKZCMLJSQ-UAGQMJEPSA-N 2 1 333.480 1.008 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849608267 595594497 /nfs/dbraw/zinc/59/44/97/595594497.db2.gz NRPOWYPQNWQLKO-MSOLQXFVSA-N 2 1 349.523 1.550 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849608267 595594500 /nfs/dbraw/zinc/59/45/00/595594500.db2.gz NRPOWYPQNWQLKO-MSOLQXFVSA-N 2 1 349.523 1.550 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849608267 595594503 /nfs/dbraw/zinc/59/45/03/595594503.db2.gz NRPOWYPQNWQLKO-MSOLQXFVSA-N 2 1 349.523 1.550 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000859211817 596005667 /nfs/dbraw/zinc/00/56/67/596005667.db2.gz ALWJMXBADQIUON-QGZVFWFLSA-N 2 1 339.505 1.462 20 0 EDADMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N2CCOC2=O)cc1 ZINC000854232905 596009398 /nfs/dbraw/zinc/00/93/98/596009398.db2.gz XQCGDNCZCJHSCL-NSHDSACASA-N 2 1 343.387 1.448 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856554612 596017194 /nfs/dbraw/zinc/01/71/94/596017194.db2.gz LIKMKBUZCWJFHB-ZWKOTPCHSA-N 2 1 341.459 1.822 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856554612 596017197 /nfs/dbraw/zinc/01/71/97/596017197.db2.gz LIKMKBUZCWJFHB-ZWKOTPCHSA-N 2 1 341.459 1.822 20 0 EDADMP COCC[NH+](CCOC)C1CC[NH+](CC[C@H]2COC(C)(C)O2)CC1 ZINC000852043968 596020935 /nfs/dbraw/zinc/02/09/35/596020935.db2.gz LJLPOMAHLDHOCZ-KRWDZBQOSA-N 2 1 344.496 1.587 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)C(=O)N(C)C)C2)ccn1 ZINC000856596031 596029122 /nfs/dbraw/zinc/02/91/22/596029122.db2.gz PTKHKIFZFCMJQA-YOEHRIQHSA-N 2 1 334.464 1.463 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)ccn1 ZINC000856596031 596029126 /nfs/dbraw/zinc/02/91/26/596029126.db2.gz PTKHKIFZFCMJQA-YOEHRIQHSA-N 2 1 334.464 1.463 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)ccn1 ZINC000856596031 596029128 /nfs/dbraw/zinc/02/91/28/596029128.db2.gz PTKHKIFZFCMJQA-YOEHRIQHSA-N 2 1 334.464 1.463 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)N(C)C[C@@H](C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000861619778 596049572 /nfs/dbraw/zinc/04/95/72/596049572.db2.gz NHFCPWPVZDONDP-JEBQAFNWSA-N 2 1 346.475 1.962 20 0 EDADMP Cn1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(Cl)n1 ZINC000856769770 596078128 /nfs/dbraw/zinc/07/81/28/596078128.db2.gz AUZCKOZCOVGCHL-UHFFFAOYSA-N 2 1 349.866 1.655 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2c3ccc(C)cc3[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000854513248 596104662 /nfs/dbraw/zinc/10/46/62/596104662.db2.gz JKEGIXPKZMVMRU-QRQLOZEOSA-N 2 1 343.471 1.850 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2c3ccc(C)cc3[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000854513248 596104664 /nfs/dbraw/zinc/10/46/64/596104664.db2.gz JKEGIXPKZMVMRU-QRQLOZEOSA-N 2 1 343.471 1.850 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000854513248 596104666 /nfs/dbraw/zinc/10/46/66/596104666.db2.gz JKEGIXPKZMVMRU-QRQLOZEOSA-N 2 1 343.471 1.850 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000854513248 596104668 /nfs/dbraw/zinc/10/46/68/596104668.db2.gz JKEGIXPKZMVMRU-QRQLOZEOSA-N 2 1 343.471 1.850 20 0 EDADMP c1c(C[NH2+][C@@H]2CCCc3ccccc32)nnn1C[C@H]1C[NH2+]CCO1 ZINC000864650605 596297268 /nfs/dbraw/zinc/29/72/68/596297268.db2.gz DUMALGGRAAFQPX-SJLPKXTDSA-N 2 1 327.432 1.434 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703805 596301239 /nfs/dbraw/zinc/30/12/39/596301239.db2.gz KJHDZOLBQAQAIV-SJCJKPOMSA-N 2 1 326.485 1.696 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703805 596301240 /nfs/dbraw/zinc/30/12/40/596301240.db2.gz KJHDZOLBQAQAIV-SJCJKPOMSA-N 2 1 326.485 1.696 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000870962872 596420103 /nfs/dbraw/zinc/42/01/03/596420103.db2.gz BUSRSPYBVOOKJS-LJQANCHMSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000870962872 596420107 /nfs/dbraw/zinc/42/01/07/596420107.db2.gz BUSRSPYBVOOKJS-LJQANCHMSA-N 2 1 345.487 1.736 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000870976046 596423483 /nfs/dbraw/zinc/42/34/83/596423483.db2.gz NPAPSQAPLVDDKO-OBRKIGFESA-N 2 1 337.508 1.767 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc(C4=CC[C@H]([NH3+])C4)n3)cn2)CC1 ZINC000863666587 596650990 /nfs/dbraw/zinc/65/09/90/596650990.db2.gz CYOJEGXUBDTONR-HNNXBMFYSA-N 2 1 340.431 1.778 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[C@H](C)[N@@H+]1CCO ZINC000868175356 596711406 /nfs/dbraw/zinc/71/14/06/596711406.db2.gz CNSDMBSOSCLKPN-UWWPHRKUSA-N 2 1 332.448 1.420 20 0 EDADMP COC(=O)/C=C\c1ccc(OCC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872154169 596814808 /nfs/dbraw/zinc/81/48/08/596814808.db2.gz MHLLFNIDFIAKLP-YDCSTSJZSA-N 2 1 330.428 1.793 20 0 EDADMP COC(=O)/C=C\c1ccc(OCC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872154169 596814809 /nfs/dbraw/zinc/81/48/09/596814809.db2.gz MHLLFNIDFIAKLP-YDCSTSJZSA-N 2 1 330.428 1.793 20 0 EDADMP CNC(=O)Cc1noc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158957 596817011 /nfs/dbraw/zinc/81/70/11/596817011.db2.gz ZMUQPKVDOSCCLQ-HIFRSBDPSA-N 2 1 349.479 1.478 20 0 EDADMP CNC(=O)Cc1noc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158957 596817012 /nfs/dbraw/zinc/81/70/12/596817012.db2.gz ZMUQPKVDOSCCLQ-HIFRSBDPSA-N 2 1 349.479 1.478 20 0 EDADMP [NH3+][C@@H](C[C@@H]1CCC[N@H+](Cc2nnc3n2CCOC3)C1)C1CCCC1 ZINC000872158607 596817175 /nfs/dbraw/zinc/81/71/75/596817175.db2.gz WHHLAZJZRANPAH-HOCLYGCPSA-N 2 1 333.480 1.928 20 0 EDADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2nnc3n2CCOC3)C1)C1CCCC1 ZINC000872158607 596817176 /nfs/dbraw/zinc/81/71/76/596817176.db2.gz WHHLAZJZRANPAH-HOCLYGCPSA-N 2 1 333.480 1.928 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)CC(C)(C)O)c2)CCO1 ZINC000872198795 596831317 /nfs/dbraw/zinc/83/13/17/596831317.db2.gz BRUJKRRVIZADET-MAUKXSAKSA-N 2 1 336.476 1.519 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)CC(C)(C)O)c2)CCO1 ZINC000872198795 596831320 /nfs/dbraw/zinc/83/13/20/596831320.db2.gz BRUJKRRVIZADET-MAUKXSAKSA-N 2 1 336.476 1.519 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000872199638 596832434 /nfs/dbraw/zinc/83/24/34/596832434.db2.gz QYQAJLKRECGPLY-FUHWJXTLSA-N 2 1 330.432 1.577 20 0 EDADMP O=C1OCC[C@@H]1CCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872245194 596852103 /nfs/dbraw/zinc/85/21/03/596852103.db2.gz ZUIZDMGVIRJCJD-PKOBYXMFSA-N 2 1 332.444 1.556 20 0 EDADMP O=C1OCC[C@@H]1CCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872245194 596852104 /nfs/dbraw/zinc/85/21/04/596852104.db2.gz ZUIZDMGVIRJCJD-PKOBYXMFSA-N 2 1 332.444 1.556 20 0 EDADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254553 596855539 /nfs/dbraw/zinc/85/55/39/596855539.db2.gz HJLMROZACXMPIA-BBWFWOEESA-N 2 1 344.415 1.012 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1ccns1 ZINC000875712943 596957472 /nfs/dbraw/zinc/95/74/72/596957472.db2.gz DSDHLJHXLFAEBY-STQMWFEESA-N 2 1 327.498 1.775 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1ccns1 ZINC000875712943 596957473 /nfs/dbraw/zinc/95/74/73/596957473.db2.gz DSDHLJHXLFAEBY-STQMWFEESA-N 2 1 327.498 1.775 20 0 EDADMP CC[C@]1(C)CC(=O)N(C[N@H+](CCOC)CC2CC[NH+](C)CC2)C1=O ZINC000872632209 597000985 /nfs/dbraw/zinc/00/09/85/597000985.db2.gz VFAZCECUGHWXTB-GOSISDBHSA-N 2 1 339.480 1.409 20 0 EDADMP CC[C@]1(C)CC(=O)N(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)C1=O ZINC000872632209 597000990 /nfs/dbraw/zinc/00/09/90/597000990.db2.gz VFAZCECUGHWXTB-GOSISDBHSA-N 2 1 339.480 1.409 20 0 EDADMP COCC[N@H+](CC1CC[NH+](C)CC1)CN1CC[C@@H](C(C)C)C1=O ZINC000872634029 597001184 /nfs/dbraw/zinc/00/11/84/597001184.db2.gz SOPILDOIHKKRTF-KRWDZBQOSA-N 2 1 325.497 1.739 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CN1CC[C@@H](C(C)C)C1=O ZINC000872634029 597001185 /nfs/dbraw/zinc/00/11/85/597001185.db2.gz SOPILDOIHKKRTF-KRWDZBQOSA-N 2 1 325.497 1.739 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000876029060 597068461 /nfs/dbraw/zinc/06/84/61/597068461.db2.gz JYCXXIBZFHOVFS-UHFFFAOYSA-N 2 1 328.501 1.110 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000874432703 597076746 /nfs/dbraw/zinc/07/67/46/597076746.db2.gz PPCLZBQJDTWHLU-FGTMMUONSA-N 2 1 328.460 1.797 20 0 EDADMP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4C)n2)CC1 ZINC000874835132 597191903 /nfs/dbraw/zinc/19/19/03/597191903.db2.gz XDXQBPZGIXOPCL-IAGOWNOFSA-N 2 1 343.475 1.142 20 0 EDADMP COc1ccccc1[C@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000873221790 597231038 /nfs/dbraw/zinc/23/10/38/597231038.db2.gz QGCIHRLAVLUZKC-MAUKXSAKSA-N 2 1 347.459 1.266 20 0 EDADMP COc1ccccc1[C@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000873221790 597231040 /nfs/dbraw/zinc/23/10/40/597231040.db2.gz QGCIHRLAVLUZKC-MAUKXSAKSA-N 2 1 347.459 1.266 20 0 EDADMP CC(C)(C)n1cc(C[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)nn1 ZINC000873218248 597231462 /nfs/dbraw/zinc/23/14/62/597231462.db2.gz AEAYOSGFKWOJIA-UHFFFAOYSA-N 2 1 340.435 1.362 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876717938 597303019 /nfs/dbraw/zinc/30/30/19/597303019.db2.gz IXXLFGNJWJTRPF-FUHWJXTLSA-N 2 1 333.451 1.977 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000876727759 597308663 /nfs/dbraw/zinc/30/86/63/597308663.db2.gz BNAXAQHLEVHKNY-HZPDHXFCSA-N 2 1 333.480 1.530 20 0 EDADMP C[C@@H](CCOCc1ccccc1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000877017702 597412813 /nfs/dbraw/zinc/41/28/13/597412813.db2.gz PPOPVOQZNRFQDD-KRWDZBQOSA-N 2 1 333.476 1.736 20 0 EDADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)COC1CC[NH2+]CC1 ZINC000877030962 597417635 /nfs/dbraw/zinc/41/76/35/597417635.db2.gz OKBGVALRAWAEGP-IEBWSBKVSA-N 2 1 343.471 1.898 20 0 EDADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)C(C)(C)C ZINC000877037076 597418954 /nfs/dbraw/zinc/41/89/54/597418954.db2.gz JNYOVDNLMJBFEU-OAHLLOKOSA-N 2 1 327.494 1.790 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000877229152 597469052 /nfs/dbraw/zinc/46/90/52/597469052.db2.gz IBNKXKRMFVOTCV-QZTJIDSGSA-N 2 1 331.460 1.439 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000877229152 597469054 /nfs/dbraw/zinc/46/90/54/597469054.db2.gz IBNKXKRMFVOTCV-QZTJIDSGSA-N 2 1 331.460 1.439 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000877231968 597471246 /nfs/dbraw/zinc/47/12/46/597471246.db2.gz XELQATUVIKKKIW-QGZVFWFLSA-N 2 1 331.460 1.584 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000877231968 597471247 /nfs/dbraw/zinc/47/12/47/597471247.db2.gz XELQATUVIKKKIW-QGZVFWFLSA-N 2 1 331.460 1.584 20 0 EDADMP C[C@@]12CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877353676 597499117 /nfs/dbraw/zinc/49/91/17/597499117.db2.gz SXKHXPSWBUXXAS-WRMBXCAGSA-N 2 1 325.456 1.432 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)C1 ZINC000877447717 597516893 /nfs/dbraw/zinc/51/68/93/597516893.db2.gz AGTLYUBYEJBAQM-SZMVWBNQSA-N 2 1 337.508 1.853 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)C1 ZINC000877447717 597516895 /nfs/dbraw/zinc/51/68/95/597516895.db2.gz AGTLYUBYEJBAQM-SZMVWBNQSA-N 2 1 337.508 1.853 20 0 EDADMP COCC[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)NC(=O)OC(C)(C)C ZINC000877545670 597533216 /nfs/dbraw/zinc/53/32/16/597533216.db2.gz KVCUKRNYHTYDOD-YJBOKZPZSA-N 2 1 341.496 1.944 20 0 EDADMP COCC[C@@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)NC(=O)OC(C)(C)C ZINC000877545670 597533218 /nfs/dbraw/zinc/53/32/18/597533218.db2.gz KVCUKRNYHTYDOD-YJBOKZPZSA-N 2 1 341.496 1.944 20 0 EDADMP COCC[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)NC(=O)OC(C)(C)C ZINC000877545670 597533220 /nfs/dbraw/zinc/53/32/20/597533220.db2.gz KVCUKRNYHTYDOD-YJBOKZPZSA-N 2 1 341.496 1.944 20 0 EDADMP COCC[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)NC(=O)OC(C)(C)C ZINC000877545670 597533221 /nfs/dbraw/zinc/53/32/21/597533221.db2.gz KVCUKRNYHTYDOD-YJBOKZPZSA-N 2 1 341.496 1.944 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](O)CC2(O)CCCC2)C1 ZINC000878158716 597583049 /nfs/dbraw/zinc/58/30/49/597583049.db2.gz LZKSZZDYSPOCRM-IRXDYDNUSA-N 2 1 328.497 1.475 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000878544891 597629575 /nfs/dbraw/zinc/62/95/75/597629575.db2.gz AZGICPKHNQAZER-KZNAEPCWSA-N 2 1 337.508 1.602 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879578299 597641093 /nfs/dbraw/zinc/64/10/93/597641093.db2.gz CROYCAIIQIYSTR-RVKKMQEKSA-N 2 1 339.480 1.384 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879578299 597641096 /nfs/dbraw/zinc/64/10/96/597641096.db2.gz CROYCAIIQIYSTR-RVKKMQEKSA-N 2 1 339.480 1.384 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879578299 597641099 /nfs/dbraw/zinc/64/10/99/597641099.db2.gz CROYCAIIQIYSTR-RVKKMQEKSA-N 2 1 339.480 1.384 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879578299 597641102 /nfs/dbraw/zinc/64/11/02/597641102.db2.gz CROYCAIIQIYSTR-RVKKMQEKSA-N 2 1 339.480 1.384 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1)c1ccccc1 ZINC000879580217 597641581 /nfs/dbraw/zinc/64/15/81/597641581.db2.gz FTLKZWMUSVFMHA-GBESFXJTSA-N 2 1 344.503 1.432 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878825676 597725046 /nfs/dbraw/zinc/72/50/46/597725046.db2.gz KQFQIMWAANVEHU-MCIONIFRSA-N 2 1 329.485 1.580 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883423303 597742092 /nfs/dbraw/zinc/74/20/92/597742092.db2.gz IESNEUWBMUNLEK-NEWSRXKRSA-N 2 1 335.467 1.909 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000883697971 597866247 /nfs/dbraw/zinc/86/62/47/597866247.db2.gz TWZUEQYJAIDUJH-HNNXBMFYSA-N 2 1 328.501 1.469 20 0 EDADMP COc1cccc(C[NH+]2CCN(C[C@H](O)C[N@H+](C)C3CC3)CC2)c1 ZINC000879450096 597920741 /nfs/dbraw/zinc/92/07/41/597920741.db2.gz ZTGJHSNHEQFBGK-GOSISDBHSA-N 2 1 333.476 1.268 20 0 EDADMP COc1cccc(C[NH+]2CCN(C[C@H](O)C[N@@H+](C)C3CC3)CC2)c1 ZINC000879450096 597920744 /nfs/dbraw/zinc/92/07/44/597920744.db2.gz ZTGJHSNHEQFBGK-GOSISDBHSA-N 2 1 333.476 1.268 20 0 EDADMP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880578368 597969370 /nfs/dbraw/zinc/96/93/70/597969370.db2.gz RXIKUJWNOALCGT-ZWKOTPCHSA-N 2 1 328.497 1.454 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880578368 597969372 /nfs/dbraw/zinc/96/93/72/597969372.db2.gz RXIKUJWNOALCGT-ZWKOTPCHSA-N 2 1 328.497 1.454 20 0 EDADMP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880578368 597969374 /nfs/dbraw/zinc/96/93/74/597969374.db2.gz RXIKUJWNOALCGT-ZWKOTPCHSA-N 2 1 328.497 1.454 20 0 EDADMP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880578368 597969375 /nfs/dbraw/zinc/96/93/75/597969375.db2.gz RXIKUJWNOALCGT-ZWKOTPCHSA-N 2 1 328.497 1.454 20 0 EDADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884124564 598001645 /nfs/dbraw/zinc/00/16/45/598001645.db2.gz ASRLVXLLSGCTTC-NXHRZFHOSA-N 2 1 343.475 1.929 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884195753 598023135 /nfs/dbraw/zinc/02/31/35/598023135.db2.gz YCYRUBLRZKNHQZ-CXAGYDPISA-N 2 1 339.443 1.995 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3C[NH2+]CC3(C)C)c2)CCO1 ZINC000884202484 598026955 /nfs/dbraw/zinc/02/69/55/598026955.db2.gz ZOZZIJURPRNAOM-CRAIPNDOSA-N 2 1 345.487 1.769 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[NH2+]CC3(C)C)c2)CCO1 ZINC000884202484 598026959 /nfs/dbraw/zinc/02/69/59/598026959.db2.gz ZOZZIJURPRNAOM-CRAIPNDOSA-N 2 1 345.487 1.769 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884208115 598029553 /nfs/dbraw/zinc/02/95/53/598029553.db2.gz QJWMCWTYZPOXEM-CYBMUJFWSA-N 2 1 344.253 1.143 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)[C@@H](C)C1 ZINC000884220883 598033690 /nfs/dbraw/zinc/03/36/90/598033690.db2.gz DPGRQTZURDOPDW-JYJNAYRXSA-N 2 1 325.497 1.485 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884227161 598036443 /nfs/dbraw/zinc/03/64/43/598036443.db2.gz JSUOVHVYFLWPBD-QGZVFWFLSA-N 2 1 345.491 1.438 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884316500 598063283 /nfs/dbraw/zinc/06/32/83/598063283.db2.gz UOCSFLGWIJVYSJ-IAGOWNOFSA-N 2 1 343.475 1.048 20 0 EDADMP [NH3+]CC1(O)CCN(C(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000884346504 598076643 /nfs/dbraw/zinc/07/66/43/598076643.db2.gz NRXOXUOAQBPRLR-GFCCVEGCSA-N 2 1 331.338 1.017 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884366782 598082932 /nfs/dbraw/zinc/08/29/32/598082932.db2.gz IQTZYLBSJDWDNM-CVEARBPZSA-N 2 1 340.537 1.142 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884366782 598082934 /nfs/dbraw/zinc/08/29/34/598082934.db2.gz IQTZYLBSJDWDNM-CVEARBPZSA-N 2 1 340.537 1.142 20 0 EDADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ncoc1C[NH3+] ZINC000884378024 598085929 /nfs/dbraw/zinc/08/59/29/598085929.db2.gz FAXNDYZJVINUOB-UHFFFAOYSA-N 2 1 343.431 1.907 20 0 EDADMP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000738420862 599485963 /nfs/dbraw/zinc/48/59/63/599485963.db2.gz NKZKRZJEAZAYLX-LBPRGKRZSA-N 2 1 338.419 1.088 20 0 EDADMP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000738420862 599485965 /nfs/dbraw/zinc/48/59/65/599485965.db2.gz NKZKRZJEAZAYLX-LBPRGKRZSA-N 2 1 338.419 1.088 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000914219909 695284554 /nfs/dbraw/zinc/28/45/54/695284554.db2.gz DXGPMRWHXPFHRN-BBWFWOEESA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000914219909 695284556 /nfs/dbraw/zinc/28/45/56/695284556.db2.gz DXGPMRWHXPFHRN-BBWFWOEESA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000914219909 695284558 /nfs/dbraw/zinc/28/45/58/695284558.db2.gz DXGPMRWHXPFHRN-BBWFWOEESA-N 2 1 336.480 1.166 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@H+]1CCCF ZINC000993371573 696019759 /nfs/dbraw/zinc/01/97/59/696019759.db2.gz ZYHLLOWRNUUBOT-CABCVRRESA-N 2 1 339.459 1.387 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CCc2ccns2)[C@H]1C ZINC000993622964 696287967 /nfs/dbraw/zinc/28/79/67/696287967.db2.gz PRHPMRXBBAQOAH-HOCLYGCPSA-N 2 1 347.488 1.860 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CCc2ccns2)[C@H]1C ZINC000993622964 696287968 /nfs/dbraw/zinc/28/79/68/696287968.db2.gz PRHPMRXBBAQOAH-HOCLYGCPSA-N 2 1 347.488 1.860 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CCn1cccn1 ZINC000993728246 696354750 /nfs/dbraw/zinc/35/47/50/696354750.db2.gz HOLOWGFQECRNGC-WBVHZDCISA-N 2 1 333.480 1.194 20 0 EDADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccccn1 ZINC000993767066 696363741 /nfs/dbraw/zinc/36/37/41/696363741.db2.gz XPLAZIIPQQOGPN-MAUKXSAKSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccccn1 ZINC000993767070 696363763 /nfs/dbraw/zinc/36/37/63/696363763.db2.gz XPLAZIIPQQOGPN-YJBOKZPZSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CCC[N@H+]1CCCO ZINC000994203087 696578229 /nfs/dbraw/zinc/57/82/29/696578229.db2.gz JPKUPLLZBBZVEV-CRAIPNDOSA-N 2 1 337.508 1.460 20 0 EDADMP C[C@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000916003314 696610327 /nfs/dbraw/zinc/61/03/27/696610327.db2.gz YPZHBELKFRQVMK-JKSUJKDBSA-N 2 1 342.553 1.293 20 0 EDADMP C[C@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000916003314 696610328 /nfs/dbraw/zinc/61/03/28/696610328.db2.gz YPZHBELKFRQVMK-JKSUJKDBSA-N 2 1 342.553 1.293 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)[NH+](C)C1CC1 ZINC000916851833 696803014 /nfs/dbraw/zinc/80/30/14/696803014.db2.gz SCBRICSUEIZFRE-SNPRPXQTSA-N 2 1 326.510 1.348 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12)[N@H+](C)C1CC1 ZINC000916851833 696803018 /nfs/dbraw/zinc/80/30/18/696803018.db2.gz SCBRICSUEIZFRE-SNPRPXQTSA-N 2 1 326.510 1.348 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12)[N@@H+](C)C1CC1 ZINC000916851833 696803020 /nfs/dbraw/zinc/80/30/20/696803020.db2.gz SCBRICSUEIZFRE-SNPRPXQTSA-N 2 1 326.510 1.348 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCOCC2)[C@@H]1C ZINC000994421844 696843954 /nfs/dbraw/zinc/84/39/54/696843954.db2.gz NGCKJENUMXDYFR-CRAIPNDOSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCOCC2)[C@@H]1C ZINC000994421844 696843956 /nfs/dbraw/zinc/84/39/56/696843956.db2.gz NGCKJENUMXDYFR-CRAIPNDOSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1nc(CC[N@@H+]2CCC[C@@H](NC(=O)Cn3ccnc3)[C@@H]2C)cs1 ZINC000994512254 696955833 /nfs/dbraw/zinc/95/58/33/696955833.db2.gz XIUMIVJZJKBHRW-XJKSGUPXSA-N 2 1 347.488 1.860 20 0 EDADMP Cc1nc(CCN2CCC[C@@H](NC(=O)Cn3ccnc3)[C@@H]2C)cs1 ZINC000994512254 696955834 /nfs/dbraw/zinc/95/58/34/696955834.db2.gz XIUMIVJZJKBHRW-XJKSGUPXSA-N 2 1 347.488 1.860 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000940024340 700122834 /nfs/dbraw/zinc/12/28/34/700122834.db2.gz GQCNNYOMXSVKKJ-CQSZACIVSA-N 2 1 345.434 1.333 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000940024340 700122836 /nfs/dbraw/zinc/12/28/36/700122836.db2.gz GQCNNYOMXSVKKJ-CQSZACIVSA-N 2 1 345.434 1.333 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000917571215 697040894 /nfs/dbraw/zinc/04/08/94/697040894.db2.gz SSWLCHFOBIBUSF-QLFBSQMISA-N 2 1 326.510 1.207 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000917571215 697040896 /nfs/dbraw/zinc/04/08/96/697040896.db2.gz SSWLCHFOBIBUSF-QLFBSQMISA-N 2 1 326.510 1.207 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C3CC3)C2)C1 ZINC001031596140 697295446 /nfs/dbraw/zinc/29/54/46/697295446.db2.gz HFTQVCUQQFPWEY-IBGZPJMESA-N 2 1 343.471 1.443 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C3CC3)C2)C1 ZINC001031596140 697295447 /nfs/dbraw/zinc/29/54/47/697295447.db2.gz HFTQVCUQQFPWEY-IBGZPJMESA-N 2 1 343.471 1.443 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001031596405 697296749 /nfs/dbraw/zinc/29/67/49/697296749.db2.gz KLUHXNWFIGIDJS-SFHVURJKSA-N 2 1 337.508 1.726 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001031596405 697296750 /nfs/dbraw/zinc/29/67/50/697296750.db2.gz KLUHXNWFIGIDJS-SFHVURJKSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)s1 ZINC001015793703 697365167 /nfs/dbraw/zinc/36/51/67/697365167.db2.gz XQIYXKQQIZZZII-OAHLLOKOSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)s1 ZINC001015793703 697365169 /nfs/dbraw/zinc/36/51/69/697365169.db2.gz XQIYXKQQIZZZII-OAHLLOKOSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000995033418 700151116 /nfs/dbraw/zinc/15/11/16/700151116.db2.gz AMQOGBFDALQDEZ-DOTOQJQBSA-N 2 1 327.432 1.661 20 0 EDADMP C[NH+]1CCC(NC(=S)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000920309649 697419617 /nfs/dbraw/zinc/41/96/17/697419617.db2.gz JKJXRXMCALPFFC-MRXNPFEDSA-N 2 1 340.537 1.142 20 0 EDADMP O=C(NCC1C[NH+](CC2CCOCC2)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031669734 697465469 /nfs/dbraw/zinc/46/54/69/697465469.db2.gz RZQLFMOIYSTCLX-ROUUACIJSA-N 2 1 335.492 1.335 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@@H](O)c3ccc(F)cc3)C2)CC[N@H+]1C ZINC001031680999 697501026 /nfs/dbraw/zinc/50/10/26/697501026.db2.gz BJQQZNIUUSHEAL-FSPWUOQZSA-N 2 1 349.450 1.247 20 0 EDADMP O=C(NCC1C[NH+](CC2CC3(CCC3)C2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688477 697523572 /nfs/dbraw/zinc/52/35/72/697523572.db2.gz GEGOSCMIGGDVTC-ROUUACIJSA-N 2 1 347.503 1.478 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ncccc2C)C1 ZINC001031711137 697716594 /nfs/dbraw/zinc/71/65/94/697716594.db2.gz CIOYAABAXFQGHW-GOSISDBHSA-N 2 1 330.476 1.812 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ncccc2C)C1 ZINC001031711137 697716595 /nfs/dbraw/zinc/71/65/95/697716595.db2.gz CIOYAABAXFQGHW-GOSISDBHSA-N 2 1 330.476 1.812 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001031713892 697740323 /nfs/dbraw/zinc/74/03/23/697740323.db2.gz HRBPVVFENMVIQT-RBUKOAKNSA-N 2 1 345.487 1.642 20 0 EDADMP CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727378 697953721 /nfs/dbraw/zinc/95/37/21/697953721.db2.gz FPUPQLQHXXZVJP-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP O=C(NCC1C[NH+](CC2CCC2)C1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001031730057 698064724 /nfs/dbraw/zinc/06/47/24/698064724.db2.gz CKTOPPYOMJZGEO-SFHVURJKSA-N 2 1 335.492 1.478 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730614 698119194 /nfs/dbraw/zinc/11/91/94/698119194.db2.gz SGHKRQJLJYEVNJ-SFHVURJKSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730614 698119198 /nfs/dbraw/zinc/11/91/98/698119198.db2.gz SGHKRQJLJYEVNJ-SFHVURJKSA-N 2 1 346.475 1.938 20 0 EDADMP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001031732122 698120423 /nfs/dbraw/zinc/12/04/23/698120423.db2.gz UIAZWXMBWJHVML-KRWDZBQOSA-N 2 1 346.475 1.625 20 0 EDADMP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000940109195 700222056 /nfs/dbraw/zinc/22/20/56/700222056.db2.gz OFUONRFZHMUJEH-INIZCTEOSA-N 2 1 349.479 1.722 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccn(C)n3)C[C@H]2C)CC1 ZINC000943756405 698831262 /nfs/dbraw/zinc/83/12/62/698831262.db2.gz PKNMHRJMPSTDEC-AEFFLSMTSA-N 2 1 347.507 1.479 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccn(C)n3)C[C@H]2C)CC1 ZINC000943756405 698831267 /nfs/dbraw/zinc/83/12/67/698831267.db2.gz PKNMHRJMPSTDEC-AEFFLSMTSA-N 2 1 347.507 1.479 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccnn3C)C[C@H]2C)CC1 ZINC000943756429 698831522 /nfs/dbraw/zinc/83/15/22/698831522.db2.gz PSVIMVTWEKUAPQ-AEFFLSMTSA-N 2 1 347.507 1.479 20 0 EDADMP Cc1cncc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)c1 ZINC001031766909 699066527 /nfs/dbraw/zinc/06/65/27/699066527.db2.gz NWJOFQBXLMEXKI-MOPGFXCFSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1cncc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)c1 ZINC001031766909 699066529 /nfs/dbraw/zinc/06/65/29/699066529.db2.gz NWJOFQBXLMEXKI-MOPGFXCFSA-N 2 1 342.487 1.955 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)o1 ZINC000939054846 699115268 /nfs/dbraw/zinc/11/52/68/699115268.db2.gz PZHQBSZBHGPUTE-BBRMVZONSA-N 2 1 334.464 1.515 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001031775871 699147994 /nfs/dbraw/zinc/14/79/94/699147994.db2.gz BEIIRJMDXFXIJX-ZWKOTPCHSA-N 2 1 331.460 1.252 20 0 EDADMP CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941533752 701573584 /nfs/dbraw/zinc/57/35/84/701573584.db2.gz HPUJMWWXUQBUPS-IRXDYDNUSA-N 2 1 336.524 1.345 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939133299 699217945 /nfs/dbraw/zinc/21/79/45/699217945.db2.gz QRCSEFRWTGKDHS-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cncn2C)[C@@H](C)C1 ZINC000939236550 699405461 /nfs/dbraw/zinc/40/54/61/699405461.db2.gz QEYPSHWIVPDZHK-HOCLYGCPSA-N 2 1 344.463 1.377 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC000939319725 699498167 /nfs/dbraw/zinc/49/81/67/699498167.db2.gz LUVNTNSTOZGPQF-QAPCUYQASA-N 2 1 346.475 1.049 20 0 EDADMP CCCC[N@H+](C)CC1CC[NH+](CN2C[C@@H](C(=O)OC)CC2=O)CC1 ZINC000181375100 699526036 /nfs/dbraw/zinc/52/60/36/699526036.db2.gz XKXMVZQPHRFYKS-INIZCTEOSA-N 2 1 339.480 1.409 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C[C@@H](C(=O)OC)CC2=O)CC1 ZINC000181375100 699526037 /nfs/dbraw/zinc/52/60/37/699526037.db2.gz XKXMVZQPHRFYKS-INIZCTEOSA-N 2 1 339.480 1.409 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)nc2C)C1 ZINC000939748788 699895815 /nfs/dbraw/zinc/89/58/15/699895815.db2.gz RCSUTAUFDBODOX-FZKQIMNGSA-N 2 1 341.459 1.840 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)cn1 ZINC000939749022 699896244 /nfs/dbraw/zinc/89/62/44/699896244.db2.gz SIKYVHHRZGRYAV-CZUORRHYSA-N 2 1 343.431 1.232 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000353633700 699951258 /nfs/dbraw/zinc/95/12/58/699951258.db2.gz WZLMSERSGDUVSR-MOPGFXCFSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000353633700 699951261 /nfs/dbraw/zinc/95/12/61/699951261.db2.gz WZLMSERSGDUVSR-MOPGFXCFSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000353633700 699951262 /nfs/dbraw/zinc/95/12/62/699951262.db2.gz WZLMSERSGDUVSR-MOPGFXCFSA-N 2 1 345.487 1.876 20 0 EDADMP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000940149244 700281964 /nfs/dbraw/zinc/28/19/64/700281964.db2.gz IAGRJGONTAZLRB-JKSUJKDBSA-N 2 1 346.475 1.768 20 0 EDADMP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000940154269 700284273 /nfs/dbraw/zinc/28/42/73/700284273.db2.gz SJPZMFMXDSHEDM-UHFFFAOYSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cscn2)CC1 ZINC000940327612 700504701 /nfs/dbraw/zinc/50/47/01/700504701.db2.gz KQUYDZREIKGIKV-UKRRQHHQSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC000940328581 700507030 /nfs/dbraw/zinc/50/70/30/700507030.db2.gz KZSFGYNDEDQNJS-RHSMWYFYSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000940328912 700507358 /nfs/dbraw/zinc/50/73/58/700507358.db2.gz NEGKWNZBAXPFQY-CYBMUJFWSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000940328912 700507359 /nfs/dbraw/zinc/50/73/59/700507359.db2.gz NEGKWNZBAXPFQY-CYBMUJFWSA-N 2 1 335.452 1.191 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]Cc3ccccn3)CC2)C1 ZINC000940426739 700620706 /nfs/dbraw/zinc/62/07/06/700620706.db2.gz ZVRGYSBDGWXDCS-INIZCTEOSA-N 2 1 330.476 1.894 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940472497 700657840 /nfs/dbraw/zinc/65/78/40/700657840.db2.gz YXHRFNVZUFJMIC-KRWDZBQOSA-N 2 1 347.507 1.765 20 0 EDADMP Cn1cc(CC[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940617505 700799348 /nfs/dbraw/zinc/79/93/48/700799348.db2.gz KZWYJLWJXRVORA-SJORKVTESA-N 2 1 347.507 1.274 20 0 EDADMP Cn1cc(CC[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)cn1 ZINC000940617505 700799349 /nfs/dbraw/zinc/79/93/49/700799349.db2.gz KZWYJLWJXRVORA-SJORKVTESA-N 2 1 347.507 1.274 20 0 EDADMP Cn1cc(CC[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)cn1 ZINC000940617505 700799350 /nfs/dbraw/zinc/79/93/50/700799350.db2.gz KZWYJLWJXRVORA-SJORKVTESA-N 2 1 347.507 1.274 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)o1 ZINC000995099836 700886009 /nfs/dbraw/zinc/88/60/09/700886009.db2.gz APNGYFPTYHDRCC-LSDHHAIUSA-N 2 1 349.479 1.484 20 0 EDADMP Cn1nncc1CN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842268 700938214 /nfs/dbraw/zinc/93/82/14/700938214.db2.gz BVNCLZTUVBRVMR-CVEARBPZSA-N 2 1 348.495 1.016 20 0 EDADMP Cn1nncc1CN1CC[C@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC000940842268 700938215 /nfs/dbraw/zinc/93/82/15/700938215.db2.gz BVNCLZTUVBRVMR-CVEARBPZSA-N 2 1 348.495 1.016 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940863899 700946303 /nfs/dbraw/zinc/94/63/03/700946303.db2.gz HKWZXPUJSLVDNC-CVEARBPZSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940973879 701015971 /nfs/dbraw/zinc/01/59/71/701015971.db2.gz YKUQQQFSUKBGRG-JKSUJKDBSA-N 2 1 325.497 1.317 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](CCO)CC2(C)C)C1 ZINC000940973879 701015973 /nfs/dbraw/zinc/01/59/73/701015973.db2.gz YKUQQQFSUKBGRG-JKSUJKDBSA-N 2 1 325.497 1.317 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCO)CC2(C)C)C1 ZINC000940973879 701015975 /nfs/dbraw/zinc/01/59/75/701015975.db2.gz YKUQQQFSUKBGRG-JKSUJKDBSA-N 2 1 325.497 1.317 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941028281 701068445 /nfs/dbraw/zinc/06/84/45/701068445.db2.gz KSXKHKIHMJMRRO-HOTGVXAUSA-N 2 1 339.524 1.970 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CC([NH2+]Cc2nncs2)C1 ZINC000999168470 706596274 /nfs/dbraw/zinc/59/62/74/706596274.db2.gz JPFYJPWHICCIOQ-XUJLQICISA-N 2 1 349.504 1.492 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCC(C)C)CC2(C)C)C1 ZINC000941231053 701404897 /nfs/dbraw/zinc/40/48/97/701404897.db2.gz MKQLYIVMPMRIGY-DLBZAZTESA-N 2 1 339.524 1.970 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCC(C)C)CC2(C)C)C1 ZINC000941231053 701404898 /nfs/dbraw/zinc/40/48/98/701404898.db2.gz MKQLYIVMPMRIGY-DLBZAZTESA-N 2 1 339.524 1.970 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCC(C)C)CC2(C)C)C1 ZINC000941231053 701404899 /nfs/dbraw/zinc/40/48/99/701404899.db2.gz MKQLYIVMPMRIGY-DLBZAZTESA-N 2 1 339.524 1.970 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCC(C)C)CC2(C)C)C1 ZINC000941231053 701404900 /nfs/dbraw/zinc/40/49/00/701404900.db2.gz MKQLYIVMPMRIGY-DLBZAZTESA-N 2 1 339.524 1.970 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccnc3)CC2(C)C)C1 ZINC000941218451 701409211 /nfs/dbraw/zinc/40/92/11/701409211.db2.gz XXAAHJWZTUZAQY-DLBZAZTESA-N 2 1 330.476 1.750 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccnc3)CC2(C)C)C1 ZINC000941218451 701409212 /nfs/dbraw/zinc/40/92/12/701409212.db2.gz XXAAHJWZTUZAQY-DLBZAZTESA-N 2 1 330.476 1.750 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccnc3)CC2(C)C)C1 ZINC000941218451 701409213 /nfs/dbraw/zinc/40/92/13/701409213.db2.gz XXAAHJWZTUZAQY-DLBZAZTESA-N 2 1 330.476 1.750 20 0 EDADMP CCO[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C[NH+](C)C ZINC000921677951 706601805 /nfs/dbraw/zinc/60/18/05/706601805.db2.gz HCVGLLLCJDPBAE-FGTMMUONSA-N 2 1 348.491 1.698 20 0 EDADMP CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408541 701521050 /nfs/dbraw/zinc/52/10/50/701521050.db2.gz KFWGJJQZPMRQEN-SJORKVTESA-N 2 1 334.508 1.099 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCN(C3C[NH+](C(C)C)C3)CC2)C1 ZINC000941433211 701538943 /nfs/dbraw/zinc/53/89/43/701538943.db2.gz REFCOTAZEJKNST-QGZVFWFLSA-N 2 1 336.524 1.201 20 0 EDADMP CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)C1 ZINC000941456668 701543167 /nfs/dbraw/zinc/54/31/67/701543167.db2.gz RWMSZTAGFUNBDL-FUHWJXTLSA-N 2 1 334.508 1.242 20 0 EDADMP CC(C)c1cccc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001032130280 701840032 /nfs/dbraw/zinc/84/00/32/701840032.db2.gz IYYHJPMJHMIOJI-UHFFFAOYSA-N 2 1 342.487 1.849 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCOc2cccc(F)c2)C1 ZINC001031976792 701921282 /nfs/dbraw/zinc/92/12/82/701921282.db2.gz SNMIURLCJDFBFU-RDTXWAMCSA-N 2 1 349.450 1.450 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031978018 701982268 /nfs/dbraw/zinc/98/22/68/701982268.db2.gz MLEVNIIKNLIABE-IUODEOHRSA-N 2 1 334.464 1.291 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031978018 701982273 /nfs/dbraw/zinc/98/22/73/701982273.db2.gz MLEVNIIKNLIABE-IUODEOHRSA-N 2 1 334.464 1.291 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944047397 702012156 /nfs/dbraw/zinc/01/21/56/702012156.db2.gz RNMYJINADKXWPK-CRAIPNDOSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1nc[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2ocnc2C)C[C@H]1C ZINC000944441856 702021940 /nfs/dbraw/zinc/02/19/40/702021940.db2.gz BBRANXJFESXUBC-BXUZGUMPSA-N 2 1 331.420 1.584 20 0 EDADMP Cc1nc[nH]c1CC(=O)N[C@@H]1CCN(Cc2ocnc2C)C[C@H]1C ZINC000944441856 702021948 /nfs/dbraw/zinc/02/19/48/702021948.db2.gz BBRANXJFESXUBC-BXUZGUMPSA-N 2 1 331.420 1.584 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1C[NH+](CC[C@H]3CCCO3)C1)C2 ZINC001031978832 702109152 /nfs/dbraw/zinc/10/91/52/702109152.db2.gz WZLRXZSJSABZMU-FUHWJXTLSA-N 2 1 346.475 1.371 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]CCn3cccn3)C(C)(C)C2)CC[N@H+]1C ZINC000995841283 702121539 /nfs/dbraw/zinc/12/15/39/702121539.db2.gz QUPNHDRUVUMYOG-BBWFWOEESA-N 2 1 347.507 1.440 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995893021 702193640 /nfs/dbraw/zinc/19/36/40/702193640.db2.gz GXSHLPOSPFKIJL-HOTGVXAUSA-N 2 1 334.464 1.650 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cc(C)no3)C2)CC[N@H+]1C ZINC000999203452 706648474 /nfs/dbraw/zinc/64/84/74/706648474.db2.gz BQEBFZJAZSGJLR-HYVNUMGLSA-N 2 1 334.464 1.794 20 0 EDADMP Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995965576 702311634 /nfs/dbraw/zinc/31/16/34/702311634.db2.gz CUAQDONMUIAEDR-IAGOWNOFSA-N 2 1 347.507 1.274 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)ncn1 ZINC000995975041 702331547 /nfs/dbraw/zinc/33/15/47/702331547.db2.gz IMGDBGANHXYSKW-SJORKVTESA-N 2 1 345.491 1.596 20 0 EDADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942057514 702507314 /nfs/dbraw/zinc/50/73/14/702507314.db2.gz NQFAXNVEYIYFMS-IRXDYDNUSA-N 2 1 347.507 1.851 20 0 EDADMP Cc1nnsc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995207171 702663625 /nfs/dbraw/zinc/66/36/25/702663625.db2.gz DKWYYXGDKKMQPV-KBPBESRZSA-N 2 1 348.476 1.426 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC000995209142 702679174 /nfs/dbraw/zinc/67/91/74/702679174.db2.gz ILWCVBMVKVEGQP-CVEARBPZSA-N 2 1 342.447 1.365 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccccn3)C(C)(C)C2)C1 ZINC000996299872 702690638 /nfs/dbraw/zinc/69/06/38/702690638.db2.gz FZSLOHOFGNRJOT-NVXWUHKLSA-N 2 1 330.476 1.750 20 0 EDADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300210 702691891 /nfs/dbraw/zinc/69/18/91/702691891.db2.gz KHWJJHNMXAWGRP-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996300475 702692298 /nfs/dbraw/zinc/69/22/98/702692298.db2.gz MTVFHYJNZOAMMD-GOEBONIOSA-N 2 1 348.495 1.109 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996301189 702692965 /nfs/dbraw/zinc/69/29/65/702692965.db2.gz RLXKVAGTUWCMGM-NVXWUHKLSA-N 2 1 330.476 1.893 20 0 EDADMP Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996463608 702791199 /nfs/dbraw/zinc/79/11/99/702791199.db2.gz JKNXAATUZRMQAC-SFHVURJKSA-N 2 1 345.491 1.738 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996464638 702791938 /nfs/dbraw/zinc/79/19/38/702791938.db2.gz OHEBOMJVDCRIFO-AEFFLSMTSA-N 2 1 337.508 1.866 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000996506364 702827230 /nfs/dbraw/zinc/82/72/30/702827230.db2.gz LJYNOEVTFYOURJ-HOTGVXAUSA-N 2 1 325.497 1.460 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996519176 702855077 /nfs/dbraw/zinc/85/50/77/702855077.db2.gz NOZFZTJMAJZTHV-HOCLYGCPSA-N 2 1 334.464 1.651 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC3CCOCC3)CC2)CC[N@H+]1C ZINC000996601863 702908845 /nfs/dbraw/zinc/90/88/45/702908845.db2.gz ANOGQZIBVRDXRY-ZWKOTPCHSA-N 2 1 337.508 1.724 20 0 EDADMP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996608240 702911446 /nfs/dbraw/zinc/91/14/46/702911446.db2.gz GZFFXUUSXWKDAV-YOEHRIQHSA-N 2 1 348.491 1.824 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)CC[N@H+]1C ZINC000996608350 702911594 /nfs/dbraw/zinc/91/15/94/702911594.db2.gz RWSLZJYHFVRUIB-KBAYOESNSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CCC2CCOCC2)C(C)(C)C1 ZINC000996608269 702911684 /nfs/dbraw/zinc/91/16/84/702911684.db2.gz CIZGPDGNVJYOFJ-QGZVFWFLSA-N 2 1 348.491 1.835 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000996605118 702914335 /nfs/dbraw/zinc/91/43/35/702914335.db2.gz AYVGCEKTYCAUIR-UKRRQHHQSA-N 2 1 349.479 1.614 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000996605118 702914338 /nfs/dbraw/zinc/91/43/38/702914338.db2.gz AYVGCEKTYCAUIR-UKRRQHHQSA-N 2 1 349.479 1.614 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nc(C)no2)CC1 ZINC000996644302 702946974 /nfs/dbraw/zinc/94/69/74/702946974.db2.gz JGWRSVQRURIKAA-BBRMVZONSA-N 2 1 349.479 1.894 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nc(C)no2)CC1 ZINC000996644302 702946975 /nfs/dbraw/zinc/94/69/75/702946975.db2.gz JGWRSVQRURIKAA-BBRMVZONSA-N 2 1 349.479 1.894 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnnn2CC)CC1 ZINC000996659948 702957261 /nfs/dbraw/zinc/95/72/61/702957261.db2.gz HHBYNTKKDVGBPT-KRWDZBQOSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)ncn2)CC1 ZINC000996664477 702966849 /nfs/dbraw/zinc/96/68/49/702966849.db2.gz WIQACPMFFPBGFN-SFHVURJKSA-N 2 1 345.491 1.740 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000996673950 702969075 /nfs/dbraw/zinc/96/90/75/702969075.db2.gz SLPNIAROFKWTPJ-CVEARBPZSA-N 2 1 345.491 1.678 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000996673950 702969077 /nfs/dbraw/zinc/96/90/77/702969077.db2.gz SLPNIAROFKWTPJ-CVEARBPZSA-N 2 1 345.491 1.678 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCOC2CCC2)C[C@@H]1C ZINC000942518402 703016044 /nfs/dbraw/zinc/01/60/44/703016044.db2.gz RAAMXLKPOLCDND-WMLDXEAASA-N 2 1 334.464 1.587 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCOC2CCC2)C[C@@H]1C ZINC000942518402 703016046 /nfs/dbraw/zinc/01/60/46/703016046.db2.gz RAAMXLKPOLCDND-WMLDXEAASA-N 2 1 334.464 1.587 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996721013 703016428 /nfs/dbraw/zinc/01/64/28/703016428.db2.gz WJQOQSREHWESQF-IAGOWNOFSA-N 2 1 332.448 1.772 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000996725125 703019888 /nfs/dbraw/zinc/01/98/88/703019888.db2.gz SBOBXHVESDGQNM-UKRRQHHQSA-N 2 1 348.495 1.493 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1)c1cnccn1 ZINC000996726087 703021199 /nfs/dbraw/zinc/02/11/99/703021199.db2.gz WEUIOMCRBOOJGA-YOEHRIQHSA-N 2 1 331.464 1.603 20 0 EDADMP C[C@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000942520192 703021548 /nfs/dbraw/zinc/02/15/48/703021548.db2.gz BJHYPCCJHXKSHP-LSDHHAIUSA-N 2 1 336.455 1.948 20 0 EDADMP C[C@H]1C[N@@H+](CCCF)CC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000942520192 703021550 /nfs/dbraw/zinc/02/15/50/703021550.db2.gz BJHYPCCJHXKSHP-LSDHHAIUSA-N 2 1 336.455 1.948 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC000996755114 703043955 /nfs/dbraw/zinc/04/39/55/703043955.db2.gz APZTYJBOOQPAMS-INIZCTEOSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)n2)CC1 ZINC000996765935 703057113 /nfs/dbraw/zinc/05/71/13/703057113.db2.gz WXQBWSYAMYAGAE-QGZVFWFLSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cncs2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598044 703112674 /nfs/dbraw/zinc/11/26/74/703112674.db2.gz QOXNLLPKVSTLBM-CJNGLKHVSA-N 2 1 336.505 1.812 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N(Cc2cccnc2)C[C@@H]2CC[NH+](CCF)C2)C1 ZINC000995267415 703187569 /nfs/dbraw/zinc/18/75/69/703187569.db2.gz KUNOPABANYJRKD-QZTJIDSGSA-N 2 1 348.466 1.653 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N(Cc2cccnc2)C[C@@H]2CC[N@H+](CCF)C2)C1 ZINC000995267415 703187571 /nfs/dbraw/zinc/18/75/71/703187571.db2.gz KUNOPABANYJRKD-QZTJIDSGSA-N 2 1 348.466 1.653 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N(Cc2cccnc2)C[C@@H]2CC[N@@H+](CCF)C2)C1 ZINC000995267415 703187573 /nfs/dbraw/zinc/18/75/73/703187573.db2.gz KUNOPABANYJRKD-QZTJIDSGSA-N 2 1 348.466 1.653 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000996963667 703232605 /nfs/dbraw/zinc/23/26/05/703232605.db2.gz GZIJARXXMVUWLD-MRXNPFEDSA-N 2 1 337.468 1.299 20 0 EDADMP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000996977405 703242166 /nfs/dbraw/zinc/24/21/66/703242166.db2.gz ILFCSLOVSDDGHW-KDOFPFPSSA-N 2 1 345.491 1.596 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000996999016 703256059 /nfs/dbraw/zinc/25/60/59/703256059.db2.gz LLKAXEHDYKQQTB-INIZCTEOSA-N 2 1 345.487 1.744 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997004123 703261130 /nfs/dbraw/zinc/26/11/30/703261130.db2.gz BSMDACJZSZMFNF-GUYCJALGSA-N 2 1 348.491 1.824 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)[nH]1 ZINC000997004155 703261138 /nfs/dbraw/zinc/26/11/38/703261138.db2.gz BVDMOTSMJYBWTC-UKRRQHHQSA-N 2 1 348.495 1.206 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)n1 ZINC000997059390 703304983 /nfs/dbraw/zinc/30/49/83/703304983.db2.gz COKCTSOMRULZJP-AWEZNQCLSA-N 2 1 349.479 1.723 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)[nH]1 ZINC000997086584 703332174 /nfs/dbraw/zinc/33/21/74/703332174.db2.gz ADHWPBAQXOBDPK-JKSUJKDBSA-N 2 1 346.479 1.211 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCOC)CC1 ZINC000997119409 703376169 /nfs/dbraw/zinc/37/61/69/703376169.db2.gz IHVOQNLWLUSTAZ-WBVHZDCISA-N 2 1 325.497 1.724 20 0 EDADMP Cc1ccncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032407097 703432356 /nfs/dbraw/zinc/43/23/56/703432356.db2.gz BWUNXULNMWVNLD-FHWLQOOXSA-N 2 1 340.471 1.517 20 0 EDADMP Cc1ccncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032407097 703432358 /nfs/dbraw/zinc/43/23/58/703432358.db2.gz BWUNXULNMWVNLD-FHWLQOOXSA-N 2 1 340.471 1.517 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997180381 703470520 /nfs/dbraw/zinc/47/05/20/703470520.db2.gz QGPQNTOOUKAHFG-ZIAGYGMSSA-N 2 1 349.479 1.615 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC000997192605 703489917 /nfs/dbraw/zinc/48/99/17/703489917.db2.gz KRBQJXYUTZYTED-UHFFFAOYSA-N 2 1 347.463 1.369 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997267226 703542678 /nfs/dbraw/zinc/54/26/78/703542678.db2.gz IXVVGTSGRRXIBI-UXLLHSPISA-N 2 1 325.497 1.722 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000997300434 703544042 /nfs/dbraw/zinc/54/40/42/703544042.db2.gz VATYKMMQJZREMM-MRXNPFEDSA-N 2 1 347.507 1.670 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2ncnn2C(C)C)CC1 ZINC000997310681 703567440 /nfs/dbraw/zinc/56/74/40/703567440.db2.gz SCIVOFNXVZHGPR-UHFFFAOYSA-N 2 1 345.451 1.145 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)o1 ZINC000997366175 703599701 /nfs/dbraw/zinc/59/97/01/703599701.db2.gz YZIZZDNCOTZNOX-UHFFFAOYSA-N 2 1 349.479 1.589 20 0 EDADMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2ncccn2)CC1 ZINC000997389348 703657310 /nfs/dbraw/zinc/65/73/10/703657310.db2.gz GHYNXZIYIVAECK-OAHLLOKOSA-N 2 1 343.475 1.289 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000997420416 703670147 /nfs/dbraw/zinc/67/01/47/703670147.db2.gz ITHRIARMMCAULL-GDBMZVCRSA-N 2 1 348.466 1.889 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000997420320 703670288 /nfs/dbraw/zinc/67/02/88/703670288.db2.gz HEZYTIGLLXRVPL-CRAIPNDOSA-N 2 1 330.476 1.750 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@H]1CCOC1)C12CCC[NH+]1CCC2 ZINC001032498392 703797289 /nfs/dbraw/zinc/79/72/89/703797289.db2.gz RPSLSIXQWZVDCQ-BZSNNMDCSA-N 2 1 347.503 1.717 20 0 EDADMP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032500907 703817459 /nfs/dbraw/zinc/81/74/59/703817459.db2.gz KTCCIOIJWICNBY-ROUUACIJSA-N 2 1 340.427 1.660 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000997608198 703904915 /nfs/dbraw/zinc/90/49/15/703904915.db2.gz SAEPTLOBLWDJCE-INIZCTEOSA-N 2 1 331.464 1.207 20 0 EDADMP COc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)ccn1 ZINC000995550068 703927957 /nfs/dbraw/zinc/92/79/57/703927957.db2.gz HKVHKDQWPFRAIO-HOTGVXAUSA-N 2 1 346.475 1.511 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995550584 703954177 /nfs/dbraw/zinc/95/41/77/703954177.db2.gz JUZJEFKWIJSGDQ-HOTGVXAUSA-N 2 1 331.464 1.206 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000922547938 703954315 /nfs/dbraw/zinc/95/43/15/703954315.db2.gz SNJOFQSPTKHUOV-NVXWUHKLSA-N 2 1 340.512 1.659 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922547938 703954320 /nfs/dbraw/zinc/95/43/20/703954320.db2.gz SNJOFQSPTKHUOV-NVXWUHKLSA-N 2 1 340.512 1.659 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000922547938 703954324 /nfs/dbraw/zinc/95/43/24/703954324.db2.gz SNJOFQSPTKHUOV-NVXWUHKLSA-N 2 1 340.512 1.659 20 0 EDADMP Cc1cccnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997644152 703956166 /nfs/dbraw/zinc/95/61/66/703956166.db2.gz FJRANWNJTQMDSI-GOSISDBHSA-N 2 1 346.475 1.049 20 0 EDADMP Cc1cccnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997644152 703956168 /nfs/dbraw/zinc/95/61/68/703956168.db2.gz FJRANWNJTQMDSI-GOSISDBHSA-N 2 1 346.475 1.049 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001033082901 704140820 /nfs/dbraw/zinc/14/08/20/704140820.db2.gz VRAIPXHYKIDELO-ZWKOTPCHSA-N 2 1 343.475 1.160 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001033082901 704140822 /nfs/dbraw/zinc/14/08/22/704140822.db2.gz VRAIPXHYKIDELO-ZWKOTPCHSA-N 2 1 343.475 1.160 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033094380 704176256 /nfs/dbraw/zinc/17/62/56/704176256.db2.gz GWZAUUCDXRXRIK-FVQBIDKESA-N 2 1 334.464 1.610 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033094380 704176258 /nfs/dbraw/zinc/17/62/58/704176258.db2.gz GWZAUUCDXRXRIK-FVQBIDKESA-N 2 1 334.464 1.610 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033094380 704176261 /nfs/dbraw/zinc/17/62/61/704176261.db2.gz GWZAUUCDXRXRIK-FVQBIDKESA-N 2 1 334.464 1.610 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033094380 704176264 /nfs/dbraw/zinc/17/62/64/704176264.db2.gz GWZAUUCDXRXRIK-FVQBIDKESA-N 2 1 334.464 1.610 20 0 EDADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946591339 704192076 /nfs/dbraw/zinc/19/20/76/704192076.db2.gz UCOLPBBKYQAVHY-GDAAHCPNSA-N 2 1 349.519 1.534 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CCCOC2)CC1 ZINC001032710723 706799397 /nfs/dbraw/zinc/79/93/97/706799397.db2.gz NPSGEBIXNDERNS-WDSOQIARSA-N 2 1 349.519 1.819 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2coc(C)n2)C1 ZINC000999300786 706803163 /nfs/dbraw/zinc/80/31/63/706803163.db2.gz ALXHHGKHDKMJEC-NVXWUHKLSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2coc(C)n2)C1 ZINC000999300786 706803164 /nfs/dbraw/zinc/80/31/64/706803164.db2.gz ALXHHGKHDKMJEC-NVXWUHKLSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999306676 706811733 /nfs/dbraw/zinc/81/17/33/706811733.db2.gz LDHNNVIZAKCBFY-IAGOWNOFSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004456876 704450420 /nfs/dbraw/zinc/45/04/20/704450420.db2.gz ICYZYQVHJCDVGP-QAPCUYQASA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H](O)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001004456876 704450421 /nfs/dbraw/zinc/45/04/21/704450421.db2.gz ICYZYQVHJCDVGP-QAPCUYQASA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H](O)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001004456876 704450423 /nfs/dbraw/zinc/45/04/23/704450423.db2.gz ICYZYQVHJCDVGP-QAPCUYQASA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCC1CCOCC1 ZINC000947933401 704554472 /nfs/dbraw/zinc/55/44/72/704554472.db2.gz AAOJJZUHXHONKU-FUHWJXTLSA-N 2 1 349.519 1.868 20 0 EDADMP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538242 704587783 /nfs/dbraw/zinc/58/77/83/704587783.db2.gz OCAPVUPGUYDPCG-SZMVWBNQSA-N 2 1 345.487 1.724 20 0 EDADMP CC[C@H](C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC000997708506 704599813 /nfs/dbraw/zinc/59/98/13/704599813.db2.gz QXHOVHCTRRQLSG-USXIJHARSA-N 2 1 325.497 1.722 20 0 EDADMP CCn1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)nn1 ZINC000997866846 704772144 /nfs/dbraw/zinc/77/21/44/704772144.db2.gz VJSZVJGCRHUQPZ-KRWDZBQOSA-N 2 1 348.495 1.111 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)s1 ZINC000944920613 704772996 /nfs/dbraw/zinc/77/29/96/704772996.db2.gz VFKGQULXTPWCSI-BBRMVZONSA-N 2 1 336.505 1.874 20 0 EDADMP CCCc1noc(CN2CC[C@@H](NC(=O)CN3CCCC3)[C@H](C)C2)n1 ZINC000944943220 704795463 /nfs/dbraw/zinc/79/54/63/704795463.db2.gz GEUMWADZWYZLKM-HUUCEWRRSA-N 2 1 349.479 1.445 20 0 EDADMP C[C@H]1CN(Cc2nnc(C3CC3)o2)CC[C@H]1NC(=O)CN1CCCC1 ZINC000944944260 704797022 /nfs/dbraw/zinc/79/70/22/704797022.db2.gz LTQVWIZABQOXFY-DZGCQCFKSA-N 2 1 347.463 1.369 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945029623 704956955 /nfs/dbraw/zinc/95/69/55/704956955.db2.gz UYWXUWDUCISWCU-QAPCUYQASA-N 2 1 333.476 1.835 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2nonc2C)CC1 ZINC000997947728 705068667 /nfs/dbraw/zinc/06/86/67/705068667.db2.gz DRTGXKKLWZRFDL-DOTOQJQBSA-N 2 1 349.479 1.675 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2nonc2C)CC1 ZINC000997947728 705068673 /nfs/dbraw/zinc/06/86/73/705068673.db2.gz DRTGXKKLWZRFDL-DOTOQJQBSA-N 2 1 349.479 1.675 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2nonc2C)CC1 ZINC000997947728 705068679 /nfs/dbraw/zinc/06/86/79/705068679.db2.gz DRTGXKKLWZRFDL-DOTOQJQBSA-N 2 1 349.479 1.675 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2nonc2C)CC1 ZINC000997947728 705068683 /nfs/dbraw/zinc/06/86/83/705068683.db2.gz DRTGXKKLWZRFDL-DOTOQJQBSA-N 2 1 349.479 1.675 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCCN(Cc2cn(C)nn2)CC1 ZINC000997951671 705070692 /nfs/dbraw/zinc/07/06/92/705070692.db2.gz YTRFBRMTNNEKRK-DLBZAZTESA-N 2 1 348.495 1.112 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2cn(C)nn2)CC1 ZINC000997951671 705070701 /nfs/dbraw/zinc/07/07/01/705070701.db2.gz YTRFBRMTNNEKRK-DLBZAZTESA-N 2 1 348.495 1.112 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2cn(C)nn2)CC1 ZINC000997951671 705070706 /nfs/dbraw/zinc/07/07/06/705070706.db2.gz YTRFBRMTNNEKRK-DLBZAZTESA-N 2 1 348.495 1.112 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2cn(C)nn2)CC1 ZINC000997951671 705070709 /nfs/dbraw/zinc/07/07/09/705070709.db2.gz YTRFBRMTNNEKRK-DLBZAZTESA-N 2 1 348.495 1.112 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)ncn1 ZINC000998079648 705303808 /nfs/dbraw/zinc/30/38/08/705303808.db2.gz SNRISOVITXPCLN-KBXCAEBGSA-N 2 1 345.491 1.311 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000998083111 705311946 /nfs/dbraw/zinc/31/19/46/705311946.db2.gz VBCSBZKINACQKQ-CYBMUJFWSA-N 2 1 335.452 1.048 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000998083111 705311948 /nfs/dbraw/zinc/31/19/48/705311948.db2.gz VBCSBZKINACQKQ-CYBMUJFWSA-N 2 1 335.452 1.048 20 0 EDADMP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998083138 705311958 /nfs/dbraw/zinc/31/19/58/705311958.db2.gz VNOASFTZZHNEHR-RDJZCZTQSA-N 2 1 347.507 1.429 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(CO)cc2)CC1 ZINC001032602972 705421612 /nfs/dbraw/zinc/42/16/12/705421612.db2.gz JEJSIIQDYQBXLO-OALUTQOASA-N 2 1 343.471 1.306 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(CO)cc2)CC1 ZINC001032602972 705421614 /nfs/dbraw/zinc/42/16/14/705421614.db2.gz JEJSIIQDYQBXLO-OALUTQOASA-N 2 1 343.471 1.306 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2ccn(C)n2)CC1 ZINC000998187655 705491515 /nfs/dbraw/zinc/49/15/15/705491515.db2.gz FPJFSCHTFVMKHR-SJLPKXTDSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)CC1 ZINC000998187655 705491517 /nfs/dbraw/zinc/49/15/17/705491517.db2.gz FPJFSCHTFVMKHR-SJLPKXTDSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](Cc2ccn(C)n2)CC1 ZINC000998187655 705491518 /nfs/dbraw/zinc/49/15/18/705491518.db2.gz FPJFSCHTFVMKHR-SJLPKXTDSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](Cc2ccn(C)n2)CC1 ZINC000998187655 705491520 /nfs/dbraw/zinc/49/15/20/705491520.db2.gz FPJFSCHTFVMKHR-SJLPKXTDSA-N 2 1 347.507 1.575 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000998215511 705536455 /nfs/dbraw/zinc/53/64/55/705536455.db2.gz ANLWBAATVGEDCN-QGZVFWFLSA-N 2 1 345.491 1.455 20 0 EDADMP CCn1ccc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998216738 705538886 /nfs/dbraw/zinc/53/88/86/705538886.db2.gz KIBRFAMGOYENDG-KRWDZBQOSA-N 2 1 347.507 1.573 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(CO)cc3)CC2)C1 ZINC000998267345 705642000 /nfs/dbraw/zinc/64/20/00/705642000.db2.gz WQLUFVPKKWQEIZ-IBGZPJMESA-N 2 1 345.487 1.459 20 0 EDADMP Cc1csc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC000998270789 705649771 /nfs/dbraw/zinc/64/97/71/705649771.db2.gz ZVDDMIFVNYDIAF-UHFFFAOYSA-N 2 1 347.488 1.985 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncnn2C)CC1 ZINC000998287579 705682320 /nfs/dbraw/zinc/68/23/20/705682320.db2.gz OLRNZFPUDXFFGN-INIZCTEOSA-N 2 1 348.495 1.018 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC(NCc2csc(Cl)n2)C1 ZINC000998550631 705986874 /nfs/dbraw/zinc/98/68/74/705986874.db2.gz NUBUHKGWTPJPFL-GDKBPFBDSA-N 2 1 342.896 1.970 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2csc(Cl)n2)C1 ZINC000998550631 705986880 /nfs/dbraw/zinc/98/68/80/705986880.db2.gz NUBUHKGWTPJPFL-GDKBPFBDSA-N 2 1 342.896 1.970 20 0 EDADMP Cc1nsc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998723974 706156074 /nfs/dbraw/zinc/15/60/74/706156074.db2.gz SXUNJMSRCNTVIQ-GOEBONIOSA-N 2 1 336.505 1.935 20 0 EDADMP Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998813595 706256485 /nfs/dbraw/zinc/25/64/85/706256485.db2.gz WKAZJYKNYIEZIU-QZTJIDSGSA-N 2 1 331.460 1.406 20 0 EDADMP Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998813595 706256488 /nfs/dbraw/zinc/25/64/88/706256488.db2.gz WKAZJYKNYIEZIU-QZTJIDSGSA-N 2 1 331.460 1.406 20 0 EDADMP CC(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000998899063 706327055 /nfs/dbraw/zinc/32/70/55/706327055.db2.gz PZFLBLDDKBRPMN-VMWRSERWSA-N 2 1 337.508 1.865 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998902507 706339082 /nfs/dbraw/zinc/33/90/82/706339082.db2.gz VNXWVQVRFRPNDD-LXPRWKDFSA-N 2 1 347.507 1.762 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CC3CC4(CCC4)C3)C2)O1 ZINC000998983577 706402554 /nfs/dbraw/zinc/40/25/54/706402554.db2.gz OBSKZMSSKCVTSK-AGERRDQYSA-N 2 1 349.519 1.865 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CC3CC4(CCC4)C3)C2)O1 ZINC000998983577 706402560 /nfs/dbraw/zinc/40/25/60/706402560.db2.gz OBSKZMSSKCVTSK-AGERRDQYSA-N 2 1 349.519 1.865 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)co1 ZINC000998988592 706420734 /nfs/dbraw/zinc/42/07/34/706420734.db2.gz VMPBUNBXKZHLAF-UHFFFAOYSA-N 2 1 346.475 1.938 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CC3CCCCC3)C2)C1 ZINC000999863111 707501168 /nfs/dbraw/zinc/50/11/68/707501168.db2.gz SRAAGYLUKGMZFW-DAWZGUTISA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CC3CCCCC3)C2)C1 ZINC000999863111 707501171 /nfs/dbraw/zinc/50/11/71/707501171.db2.gz SRAAGYLUKGMZFW-DAWZGUTISA-N 2 1 337.508 1.866 20 0 EDADMP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC000999125135 706549648 /nfs/dbraw/zinc/54/96/48/706549648.db2.gz HGKRAPXGQWPRCU-UHFFFAOYSA-N 2 1 344.463 1.230 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC000999354537 706843541 /nfs/dbraw/zinc/84/35/41/706843541.db2.gz QJBHZKFWIVEOBR-DLBZAZTESA-N 2 1 348.495 1.122 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC000999347248 706858602 /nfs/dbraw/zinc/85/86/02/706858602.db2.gz HUDVKIFGLPRRNF-ROUUACIJSA-N 2 1 347.507 1.479 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999349754 706861903 /nfs/dbraw/zinc/86/19/03/706861903.db2.gz UKZDKXAGVAMNHI-OAHLLOKOSA-N 2 1 348.495 1.171 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1)C1CC1 ZINC000999363007 706876715 /nfs/dbraw/zinc/87/67/15/706876715.db2.gz BQVCQCFQAMCUQD-MAUKXSAKSA-N 2 1 346.475 1.973 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000999401772 706909933 /nfs/dbraw/zinc/90/99/33/706909933.db2.gz QDHUGRQXDLULRW-RDJZCZTQSA-N 2 1 348.495 1.253 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000999401772 706909934 /nfs/dbraw/zinc/90/99/34/706909934.db2.gz QDHUGRQXDLULRW-RDJZCZTQSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999404191 706913074 /nfs/dbraw/zinc/91/30/74/706913074.db2.gz UADPTYYXYBQVSN-UWTIGNOOSA-N 2 1 334.464 1.712 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)c(C)o1 ZINC000999407368 706916981 /nfs/dbraw/zinc/91/69/81/706916981.db2.gz UNKCFLZIHUCRGW-UWTIGNOOSA-N 2 1 334.464 1.855 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)s1 ZINC000999408353 706918096 /nfs/dbraw/zinc/91/80/96/706918096.db2.gz JGPZSCWMCZOUHI-LRVUVFPRSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)sn1 ZINC000999408635 706918442 /nfs/dbraw/zinc/91/84/42/706918442.db2.gz MJPUMRCIIYACLZ-LRVUVFPRSA-N 2 1 336.505 1.872 20 0 EDADMP COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779262 707239079 /nfs/dbraw/zinc/23/90/79/707239079.db2.gz LUWNTRBZGOHWJL-TVFCKZIOSA-N 2 1 337.508 1.534 20 0 EDADMP COC[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779262 707239081 /nfs/dbraw/zinc/23/90/81/707239081.db2.gz LUWNTRBZGOHWJL-TVFCKZIOSA-N 2 1 337.508 1.534 20 0 EDADMP COC[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779262 707239085 /nfs/dbraw/zinc/23/90/85/707239085.db2.gz LUWNTRBZGOHWJL-TVFCKZIOSA-N 2 1 337.508 1.534 20 0 EDADMP COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779453 707240661 /nfs/dbraw/zinc/24/06/61/707240661.db2.gz PELXUMRJOFYVCZ-TVFCKZIOSA-N 2 1 337.508 1.676 20 0 EDADMP COC[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779453 707240665 /nfs/dbraw/zinc/24/06/65/707240665.db2.gz PELXUMRJOFYVCZ-TVFCKZIOSA-N 2 1 337.508 1.676 20 0 EDADMP COC[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779453 707240669 /nfs/dbraw/zinc/24/06/69/707240669.db2.gz PELXUMRJOFYVCZ-TVFCKZIOSA-N 2 1 337.508 1.676 20 0 EDADMP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999690078 707246139 /nfs/dbraw/zinc/24/61/39/707246139.db2.gz VKJIPVWAPFZNKR-QQFBHYJXSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC000999727813 707270496 /nfs/dbraw/zinc/27/04/96/707270496.db2.gz QZNIJQQAWRHAFQ-INIZCTEOSA-N 2 1 328.420 1.071 20 0 EDADMP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033276714 707341393 /nfs/dbraw/zinc/34/13/93/707341393.db2.gz FPYVLMRSLHRLIN-VIHIWDAPSA-N 2 1 335.492 1.428 20 0 EDADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033276714 707341395 /nfs/dbraw/zinc/34/13/95/707341395.db2.gz FPYVLMRSLHRLIN-VIHIWDAPSA-N 2 1 335.492 1.428 20 0 EDADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033276714 707341397 /nfs/dbraw/zinc/34/13/97/707341397.db2.gz FPYVLMRSLHRLIN-VIHIWDAPSA-N 2 1 335.492 1.428 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCC3)C2)O1 ZINC001033186709 707381586 /nfs/dbraw/zinc/38/15/86/707381586.db2.gz YQYMSEONKLDBLX-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCC3)C2)O1 ZINC001033186709 707381590 /nfs/dbraw/zinc/38/15/90/707381590.db2.gz YQYMSEONKLDBLX-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCCC3CCC3)C2)O1 ZINC001033186709 707381596 /nfs/dbraw/zinc/38/15/96/707381596.db2.gz YQYMSEONKLDBLX-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCC3)C2)O1 ZINC001033186709 707381602 /nfs/dbraw/zinc/38/16/02/707381602.db2.gz YQYMSEONKLDBLX-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2noc3c2CCCC3)C1 ZINC000999832562 707463766 /nfs/dbraw/zinc/46/37/66/707463766.db2.gz TWVGSFVWBCHILE-NFOMZHRRSA-N 2 1 346.475 1.584 20 0 EDADMP C[C@H]([NH2+]Cc1nncn1C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004874952 707539607 /nfs/dbraw/zinc/53/96/07/707539607.db2.gz DYYJLTBSNKBSDF-HOCLYGCPSA-N 2 1 348.495 1.159 20 0 EDADMP C[C@H]([NH2+]Cc1nncn1C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004874952 707539611 /nfs/dbraw/zinc/53/96/11/707539611.db2.gz DYYJLTBSNKBSDF-HOCLYGCPSA-N 2 1 348.495 1.159 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC000999972517 707584020 /nfs/dbraw/zinc/58/40/20/707584020.db2.gz GBNMFLJJPQENFA-HZPDHXFCSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC000999972517 707584024 /nfs/dbraw/zinc/58/40/24/707584024.db2.gz GBNMFLJJPQENFA-HZPDHXFCSA-N 2 1 348.495 1.018 20 0 EDADMP CCCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960663 707623703 /nfs/dbraw/zinc/62/37/03/707623703.db2.gz DRHOXDCNUSTTMN-CVEARBPZSA-N 2 1 334.468 1.035 20 0 EDADMP CCCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999960663 707623706 /nfs/dbraw/zinc/62/37/06/707623706.db2.gz DRHOXDCNUSTTMN-CVEARBPZSA-N 2 1 334.468 1.035 20 0 EDADMP CCCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC000999960663 707623711 /nfs/dbraw/zinc/62/37/11/707623711.db2.gz DRHOXDCNUSTTMN-CVEARBPZSA-N 2 1 334.468 1.035 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001033396873 707736272 /nfs/dbraw/zinc/73/62/72/707736272.db2.gz PTFUJFWEDSCIAW-DLBZAZTESA-N 2 1 337.508 1.676 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033398568 707740951 /nfs/dbraw/zinc/74/09/51/707740951.db2.gz XWFILWZHNCFVCC-OAHLLOKOSA-N 2 1 336.505 1.560 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(CO)cc1)C12CC[NH+](CC1)C2 ZINC001032733622 707741585 /nfs/dbraw/zinc/74/15/85/707741585.db2.gz CYXHFQYVBBVHKJ-ROUUACIJSA-N 2 1 341.455 1.060 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(CO)cc1)C12CC[NH+](CC1)C2 ZINC001032733622 707741590 /nfs/dbraw/zinc/74/15/90/707741590.db2.gz CYXHFQYVBBVHKJ-ROUUACIJSA-N 2 1 341.455 1.060 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)sn1 ZINC001033398955 707742049 /nfs/dbraw/zinc/74/20/49/707742049.db2.gz ZJWIRDBTLPHYGC-OAHLLOKOSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)sn1 ZINC001033398955 707742052 /nfs/dbraw/zinc/74/20/52/707742052.db2.gz ZJWIRDBTLPHYGC-OAHLLOKOSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cncn1C ZINC001004993121 707875650 /nfs/dbraw/zinc/87/56/50/707875650.db2.gz PTPPZZLGBKZURE-RHSMWYFYSA-N 2 1 344.463 1.484 20 0 EDADMP CN1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](C/C=C/Cl)C[C@H]3CC2)C1 ZINC000946536766 707900838 /nfs/dbraw/zinc/90/08/38/707900838.db2.gz XNEBWGBEAYFFCB-BPLBCDPGSA-N 2 1 341.883 1.240 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](C/C=C/Cl)C[C@H]3CC2)C1 ZINC000946536766 707900840 /nfs/dbraw/zinc/90/08/40/707900840.db2.gz XNEBWGBEAYFFCB-BPLBCDPGSA-N 2 1 341.883 1.240 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](C/C=C/Cl)C[C@H]3CC2)C1 ZINC000946536766 707900844 /nfs/dbraw/zinc/90/08/44/707900844.db2.gz XNEBWGBEAYFFCB-BPLBCDPGSA-N 2 1 341.883 1.240 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](C/C=C/Cl)C[C@H]3CC2)C1 ZINC000946536766 707900848 /nfs/dbraw/zinc/90/08/48/707900848.db2.gz XNEBWGBEAYFFCB-BPLBCDPGSA-N 2 1 341.883 1.240 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](C/C=C/Cl)C[C@H]3CC2)C1 ZINC000946536766 707900852 /nfs/dbraw/zinc/90/08/52/707900852.db2.gz XNEBWGBEAYFFCB-BPLBCDPGSA-N 2 1 341.883 1.240 20 0 EDADMP COCc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001032781738 707970154 /nfs/dbraw/zinc/97/01/54/707970154.db2.gz HJJROXMEWTYIOJ-QYZOEREBSA-N 2 1 343.471 1.570 20 0 EDADMP COCc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001032781738 707970155 /nfs/dbraw/zinc/97/01/55/707970155.db2.gz HJJROXMEWTYIOJ-QYZOEREBSA-N 2 1 343.471 1.570 20 0 EDADMP COCc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001032781738 707970157 /nfs/dbraw/zinc/97/01/57/707970157.db2.gz HJJROXMEWTYIOJ-QYZOEREBSA-N 2 1 343.471 1.570 20 0 EDADMP COCc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001032781738 707970158 /nfs/dbraw/zinc/97/01/58/707970158.db2.gz HJJROXMEWTYIOJ-QYZOEREBSA-N 2 1 343.471 1.570 20 0 EDADMP Cc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)s1 ZINC001032781731 707970163 /nfs/dbraw/zinc/97/01/63/707970163.db2.gz HEDVKTGPCQOQRH-KKUMJFAQSA-N 2 1 334.489 1.497 20 0 EDADMP Cc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)s1 ZINC001032781731 707970165 /nfs/dbraw/zinc/97/01/65/707970165.db2.gz HEDVKTGPCQOQRH-KKUMJFAQSA-N 2 1 334.489 1.497 20 0 EDADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)s1 ZINC001032781731 707970167 /nfs/dbraw/zinc/97/01/67/707970167.db2.gz HEDVKTGPCQOQRH-KKUMJFAQSA-N 2 1 334.489 1.497 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)s1 ZINC001032781731 707970169 /nfs/dbraw/zinc/97/01/69/707970169.db2.gz HEDVKTGPCQOQRH-KKUMJFAQSA-N 2 1 334.489 1.497 20 0 EDADMP Cc1nc(C)c(CN2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2C)s1 ZINC001032782744 707976128 /nfs/dbraw/zinc/97/61/28/707976128.db2.gz KWJDGOQCKJZPQZ-GJZGRUSLSA-N 2 1 345.472 1.750 20 0 EDADMP C[C@H](F)CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490624 707984938 /nfs/dbraw/zinc/98/49/38/707984938.db2.gz UXJBVIVFDFQYGH-HOCLYGCPSA-N 2 1 339.459 1.339 20 0 EDADMP CCN1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCC2)C1 ZINC001032791719 708036141 /nfs/dbraw/zinc/03/61/41/708036141.db2.gz ACVRZPMVCISMKR-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCC2)C1 ZINC001032791719 708036144 /nfs/dbraw/zinc/03/61/44/708036144.db2.gz ACVRZPMVCISMKR-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCC2)C1 ZINC001032791719 708036147 /nfs/dbraw/zinc/03/61/47/708036147.db2.gz ACVRZPMVCISMKR-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCC2)C1 ZINC001032791719 708036152 /nfs/dbraw/zinc/03/61/52/708036152.db2.gz ACVRZPMVCISMKR-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001005185000 708111914 /nfs/dbraw/zinc/11/19/14/708111914.db2.gz OLHXWQPQACENTH-IAGOWNOFSA-N 2 1 337.508 1.819 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001005185110 708112400 /nfs/dbraw/zinc/11/24/00/708112400.db2.gz PWUIBYIYZHNYQZ-MSOLQXFVSA-N 2 1 337.508 1.963 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CC[C@H]3CCCO3)C2)CC1 ZINC001033532409 708155884 /nfs/dbraw/zinc/15/58/84/708155884.db2.gz QPQJWNFPJAZNDT-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001033586623 708277029 /nfs/dbraw/zinc/27/70/29/708277029.db2.gz XZUFWXVRXJPGNY-HZPDHXFCSA-N 2 1 346.475 1.863 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001033586623 708277030 /nfs/dbraw/zinc/27/70/30/708277030.db2.gz XZUFWXVRXJPGNY-HZPDHXFCSA-N 2 1 346.475 1.863 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CCN(Cc3cnon3)CC2)C1 ZINC001001757262 708280747 /nfs/dbraw/zinc/28/07/47/708280747.db2.gz QEGXGONCCSRIRC-MRXNPFEDSA-N 2 1 349.479 1.520 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592031 708290605 /nfs/dbraw/zinc/29/06/05/708290605.db2.gz FBDKGXVWRCPSFQ-AWEZNQCLSA-N 2 1 334.489 1.580 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](CC2CCOCC2)CC1 ZINC001001824124 708326039 /nfs/dbraw/zinc/32/60/39/708326039.db2.gz BUCUHRLLGABZJJ-CRAIPNDOSA-N 2 1 337.508 1.439 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001824182 708326709 /nfs/dbraw/zinc/32/67/09/708326709.db2.gz DVIPCPSKWTZRKJ-WMLDXEAASA-N 2 1 345.491 1.311 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001831873 708357662 /nfs/dbraw/zinc/35/76/62/708357662.db2.gz AZHPKPYOOZMYFP-WMZOPIPTSA-N 2 1 344.503 1.916 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001033656642 708426128 /nfs/dbraw/zinc/42/61/28/708426128.db2.gz CQLZDPCNGKDLMM-HNNXBMFYSA-N 2 1 339.871 1.165 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001033656642 708426129 /nfs/dbraw/zinc/42/61/29/708426129.db2.gz CQLZDPCNGKDLMM-HNNXBMFYSA-N 2 1 339.871 1.165 20 0 EDADMP CCCc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001033664493 708446284 /nfs/dbraw/zinc/44/62/84/708446284.db2.gz HGHTYFUTUFKUMU-HOTGVXAUSA-N 2 1 348.491 1.920 20 0 EDADMP CCCc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001033664493 708446287 /nfs/dbraw/zinc/44/62/87/708446287.db2.gz HGHTYFUTUFKUMU-HOTGVXAUSA-N 2 1 348.491 1.920 20 0 EDADMP CCCc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001033664493 708446290 /nfs/dbraw/zinc/44/62/90/708446290.db2.gz HGHTYFUTUFKUMU-HOTGVXAUSA-N 2 1 348.491 1.920 20 0 EDADMP CCCc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001033664493 708446294 /nfs/dbraw/zinc/44/62/94/708446294.db2.gz HGHTYFUTUFKUMU-HOTGVXAUSA-N 2 1 348.491 1.920 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033661469 708474283 /nfs/dbraw/zinc/47/42/83/708474283.db2.gz LMVLMFZDBNPLQV-ROUUACIJSA-N 2 1 331.460 1.163 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033661469 708474286 /nfs/dbraw/zinc/47/42/86/708474286.db2.gz LMVLMFZDBNPLQV-ROUUACIJSA-N 2 1 331.460 1.163 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033661469 708474290 /nfs/dbraw/zinc/47/42/90/708474290.db2.gz LMVLMFZDBNPLQV-ROUUACIJSA-N 2 1 331.460 1.163 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684341 708496370 /nfs/dbraw/zinc/49/63/70/708496370.db2.gz MXICVSBGJRVAPH-QAPCUYQASA-N 2 1 333.476 1.929 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001033775206 708674921 /nfs/dbraw/zinc/67/49/21/708674921.db2.gz LSVDWHDNWNLXQL-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC001033775206 708674923 /nfs/dbraw/zinc/67/49/23/708674923.db2.gz LSVDWHDNWNLXQL-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001033775206 708674925 /nfs/dbraw/zinc/67/49/25/708674925.db2.gz LSVDWHDNWNLXQL-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001033775206 708674927 /nfs/dbraw/zinc/67/49/27/708674927.db2.gz LSVDWHDNWNLXQL-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCCc2nc(C)no2)C1 ZINC001033775262 708675503 /nfs/dbraw/zinc/67/55/03/708675503.db2.gz MFDKLIVXLVMMHR-HOTGVXAUSA-N 2 1 349.479 1.328 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCCc2nc(C)no2)C1 ZINC001033775262 708675504 /nfs/dbraw/zinc/67/55/04/708675504.db2.gz MFDKLIVXLVMMHR-HOTGVXAUSA-N 2 1 349.479 1.328 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCCc2nc(C)no2)C1 ZINC001033775262 708675507 /nfs/dbraw/zinc/67/55/07/708675507.db2.gz MFDKLIVXLVMMHR-HOTGVXAUSA-N 2 1 349.479 1.328 20 0 EDADMP CCN(C(=O)[C@H]1CN(C)CCO1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033789424 708699827 /nfs/dbraw/zinc/69/98/27/708699827.db2.gz NXWAASOTXKICTK-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001033942270 709149522 /nfs/dbraw/zinc/14/95/22/709149522.db2.gz YOBKRIBPNXOERQ-GOSISDBHSA-N 2 1 345.491 1.550 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001033942270 709149523 /nfs/dbraw/zinc/14/95/23/709149523.db2.gz YOBKRIBPNXOERQ-GOSISDBHSA-N 2 1 345.491 1.550 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001005504894 709334372 /nfs/dbraw/zinc/33/43/72/709334372.db2.gz VCJRKQGBHKKTAI-GOEBONIOSA-N 2 1 338.496 1.046 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001005504894 709334375 /nfs/dbraw/zinc/33/43/75/709334375.db2.gz VCJRKQGBHKKTAI-GOEBONIOSA-N 2 1 338.496 1.046 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001002792462 709400535 /nfs/dbraw/zinc/40/05/35/709400535.db2.gz OPAULSYFHZSMDM-KRWDZBQOSA-N 2 1 333.480 1.374 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001034148749 709420044 /nfs/dbraw/zinc/42/00/44/709420044.db2.gz OQWDBIHVQLMDST-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001034148749 709420046 /nfs/dbraw/zinc/42/00/46/709420046.db2.gz OQWDBIHVQLMDST-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001034148749 709420048 /nfs/dbraw/zinc/42/00/48/709420048.db2.gz OQWDBIHVQLMDST-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001034148749 709420050 /nfs/dbraw/zinc/42/00/50/709420050.db2.gz OQWDBIHVQLMDST-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP CCc1ccc([C@H](O)C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032828546 709452789 /nfs/dbraw/zinc/45/27/89/709452789.db2.gz HWWVCGFHPLKAAN-IPMKNSEASA-N 2 1 345.487 1.567 20 0 EDADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(C(=O)N(C)C)c2)CCCO1 ZINC000922064382 709538615 /nfs/dbraw/zinc/53/86/15/709538615.db2.gz NTARWLAWEJJHLM-INIZCTEOSA-N 2 1 333.476 1.979 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(C(=O)N(C)C)c2)CCCO1 ZINC000922064382 709538617 /nfs/dbraw/zinc/53/86/17/709538617.db2.gz NTARWLAWEJJHLM-INIZCTEOSA-N 2 1 333.476 1.979 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CCOC3CCC3)C2)CC[N@H+]1C ZINC001034213802 709565765 /nfs/dbraw/zinc/56/57/65/709565765.db2.gz BAHVMIUGIRTHKG-SOLBZPMBSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](CCOC3CCC3)C2)CC[NH+]1C ZINC001034213802 709565768 /nfs/dbraw/zinc/56/57/68/709565768.db2.gz BAHVMIUGIRTHKG-SOLBZPMBSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCOC3CCC3)C2)CC[NH+]1C ZINC001034213802 709565772 /nfs/dbraw/zinc/56/57/72/709565772.db2.gz BAHVMIUGIRTHKG-SOLBZPMBSA-N 2 1 337.508 1.866 20 0 EDADMP Cn1nccc1C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034384594 709912023 /nfs/dbraw/zinc/91/20/23/709912023.db2.gz FXMFXULEICKVRG-MRXNPFEDSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1nccc1C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034384594 709912024 /nfs/dbraw/zinc/91/20/24/709912024.db2.gz FXMFXULEICKVRG-MRXNPFEDSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034396435 709935373 /nfs/dbraw/zinc/93/53/73/709935373.db2.gz FRBYOEHABIVLKD-DLBZAZTESA-N 2 1 333.480 1.338 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CCn2cccn2)C1 ZINC001034396435 709935377 /nfs/dbraw/zinc/93/53/77/709935377.db2.gz FRBYOEHABIVLKD-DLBZAZTESA-N 2 1 333.480 1.338 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CCn2cccn2)C1 ZINC001034396435 709935381 /nfs/dbraw/zinc/93/53/81/709935381.db2.gz FRBYOEHABIVLKD-DLBZAZTESA-N 2 1 333.480 1.338 20 0 EDADMP Cn1cncc1C[N@@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034430934 709998090 /nfs/dbraw/zinc/99/80/90/709998090.db2.gz HWZVHWXGMJUBSC-QGZVFWFLSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1cncc1C[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034430934 709998092 /nfs/dbraw/zinc/99/80/92/709998092.db2.gz HWZVHWXGMJUBSC-QGZVFWFLSA-N 2 1 347.507 1.623 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003165705 710077041 /nfs/dbraw/zinc/07/70/41/710077041.db2.gz ICIJBXPMZDKBKB-QGZVFWFLSA-N 2 1 346.475 1.655 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003165705 710077047 /nfs/dbraw/zinc/07/70/47/710077047.db2.gz ICIJBXPMZDKBKB-QGZVFWFLSA-N 2 1 346.475 1.655 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000423036906 710171373 /nfs/dbraw/zinc/17/13/73/710171373.db2.gz VCRIGFFAKGXIQF-UCLAIMLFSA-N 2 1 347.503 1.980 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034526192 710177757 /nfs/dbraw/zinc/17/77/57/710177757.db2.gz VPLUYKKCEZIZBH-CVEARBPZSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034526192 710177759 /nfs/dbraw/zinc/17/77/59/710177759.db2.gz VPLUYKKCEZIZBH-CVEARBPZSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034526192 710177762 /nfs/dbraw/zinc/17/77/62/710177762.db2.gz VPLUYKKCEZIZBH-CVEARBPZSA-N 2 1 334.464 1.714 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001003318374 710246870 /nfs/dbraw/zinc/24/68/70/710246870.db2.gz HVLRIPMNONMWGG-CQSZACIVSA-N 2 1 334.464 1.377 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccon3)CC2)CC[N@H+]1C ZINC001034649801 710326278 /nfs/dbraw/zinc/32/62/78/710326278.db2.gz UWSANAFUNTYYNY-NXNVCVFFSA-N 2 1 334.464 1.922 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ncnn3C)CC2)CC[N@H+]1C ZINC001034649644 710326287 /nfs/dbraw/zinc/32/62/87/710326287.db2.gz OWMQBDHQXKYPMY-YHUYYLMFSA-N 2 1 348.495 1.062 20 0 EDADMP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001034663052 710332453 /nfs/dbraw/zinc/33/24/53/710332453.db2.gz OZDKDEJZFLTIGF-YFHUEUNASA-N 2 1 337.508 1.791 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)n2)CC1 ZINC001034658242 710342682 /nfs/dbraw/zinc/34/26/82/710342682.db2.gz BUPPIHACNSSIRG-ZOBUZTSGSA-N 2 1 348.495 1.207 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005591961 710650115 /nfs/dbraw/zinc/65/01/15/710650115.db2.gz JOUHKLJONGBPOE-YJBOKZPZSA-N 2 1 345.491 1.945 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001005591961 710650117 /nfs/dbraw/zinc/65/01/17/710650117.db2.gz JOUHKLJONGBPOE-YJBOKZPZSA-N 2 1 345.491 1.945 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001034720992 710872003 /nfs/dbraw/zinc/87/20/03/710872003.db2.gz IPYJIPIISRAILR-SHTZXODSSA-N 2 1 335.452 1.237 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034734245 710915537 /nfs/dbraw/zinc/91/55/37/710915537.db2.gz LCUZECRLIWEBHB-VQHPVUNQSA-N 2 1 333.480 1.098 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)CC1 ZINC001034736203 710922958 /nfs/dbraw/zinc/92/29/58/710922958.db2.gz SNHDTCZIMCNEFT-BRWVUGGUSA-N 2 1 347.507 1.464 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)co1 ZINC001034736611 710924382 /nfs/dbraw/zinc/92/43/82/710924382.db2.gz YJHGXJSIVZBIGK-FVQBIDKESA-N 2 1 334.464 1.984 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1 ZINC001034737495 710950091 /nfs/dbraw/zinc/95/00/91/710950091.db2.gz JWNUCCUMDKUOIY-KQTLUZQSSA-N 2 1 336.505 1.858 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001034754256 710976006 /nfs/dbraw/zinc/97/60/06/710976006.db2.gz XTPZRGGYMUVHHL-OTRWWLKZSA-N 2 1 347.463 1.604 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)CC2)nn1C ZINC001034794238 711110342 /nfs/dbraw/zinc/11/03/42/711110342.db2.gz CTUJJZNDGJUWFI-WKILWMFISA-N 2 1 344.463 1.451 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC001034794694 711111403 /nfs/dbraw/zinc/11/14/03/711111403.db2.gz PDNPLUGTOQRCFI-SHTZXODSSA-N 2 1 347.463 1.560 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034793252 711122499 /nfs/dbraw/zinc/12/24/99/711122499.db2.gz VJVQGYPHQPOKQP-DJIMGWMZSA-N 2 1 333.480 1.197 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)CC1 ZINC001034793749 711124652 /nfs/dbraw/zinc/12/46/52/711124652.db2.gz QBNACCYUKSNJKK-WKILWMFISA-N 2 1 345.422 1.943 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034793665 711124788 /nfs/dbraw/zinc/12/47/88/711124788.db2.gz NBSSMSBZTZZZFP-SHTZXODSSA-N 2 1 330.436 1.142 20 0 EDADMP Cn1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)cn1 ZINC001034830767 711236644 /nfs/dbraw/zinc/23/66/44/711236644.db2.gz CWONGRMPLOGOMT-GOSISDBHSA-N 2 1 341.459 1.278 20 0 EDADMP CC(C)Cn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001034882084 711283112 /nfs/dbraw/zinc/28/31/12/711283112.db2.gz RYYCUTIFXJVWQV-HZPDHXFCSA-N 2 1 348.495 1.109 20 0 EDADMP CC(C)Cn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001034882084 711283113 /nfs/dbraw/zinc/28/31/13/711283113.db2.gz RYYCUTIFXJVWQV-HZPDHXFCSA-N 2 1 348.495 1.109 20 0 EDADMP CCc1noc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001034882387 711283174 /nfs/dbraw/zinc/28/31/74/711283174.db2.gz WPMCAVDVFIYRMW-RHSMWYFYSA-N 2 1 334.464 1.720 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001034935962 711364552 /nfs/dbraw/zinc/36/45/52/711364552.db2.gz FHSWSDWOVOEDMF-SJORKVTESA-N 2 1 333.480 1.374 20 0 EDADMP CCc1nocc1C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001034957654 711429853 /nfs/dbraw/zinc/42/98/53/711429853.db2.gz DOXMKCAGJMHYQQ-MRXNPFEDSA-N 2 1 334.464 1.802 20 0 EDADMP Cc1nonc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001034936736 711437009 /nfs/dbraw/zinc/43/70/09/711437009.db2.gz VBOPZQCZCBCDOT-ZBFHGGJFSA-N 2 1 335.452 1.331 20 0 EDADMP Cc1nonc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001034936736 711437014 /nfs/dbraw/zinc/43/70/14/711437014.db2.gz VBOPZQCZCBCDOT-ZBFHGGJFSA-N 2 1 335.452 1.331 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)oc1C ZINC001034939902 711442967 /nfs/dbraw/zinc/44/29/67/711442967.db2.gz QSWXJXPIBLWPAI-FVQBIDKESA-N 2 1 334.464 1.712 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)oc1C ZINC001034939902 711442969 /nfs/dbraw/zinc/44/29/69/711442969.db2.gz QSWXJXPIBLWPAI-FVQBIDKESA-N 2 1 334.464 1.712 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc3c(c1)nnn3C)C2 ZINC000922386582 711448055 /nfs/dbraw/zinc/44/80/55/711448055.db2.gz GLAKQZLACWVPJD-NXWXRZEISA-N 2 1 343.475 1.538 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3c(cn1)OCCO3)C2 ZINC000922391074 711455214 /nfs/dbraw/zinc/45/52/14/711455214.db2.gz RLNGAYNGHBWZSB-VVWQDTPRSA-N 2 1 347.459 1.422 20 0 EDADMP Cc1cc(N2CCC[C@H]2CNC(=O)[C@H]2C[NH+]3CCC2CC3)nc(C)[nH+]1 ZINC001061395620 711472728 /nfs/dbraw/zinc/47/27/28/711472728.db2.gz MTHSHLLDVMZZPD-IRXDYDNUSA-N 2 1 343.475 1.520 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3F)CC2)C1 ZINC001004142197 711542157 /nfs/dbraw/zinc/54/21/57/711542157.db2.gz IFNCUPCJNNKRNV-AWEZNQCLSA-N 2 1 337.414 1.997 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3F)CC2)C1 ZINC001004142197 711542158 /nfs/dbraw/zinc/54/21/58/711542158.db2.gz IFNCUPCJNNKRNV-AWEZNQCLSA-N 2 1 337.414 1.997 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCOc3ccccc3F)CC2)C1 ZINC001004146841 711557335 /nfs/dbraw/zinc/55/73/35/711557335.db2.gz BAMRRKODCVDDIR-OAHLLOKOSA-N 2 1 349.450 1.737 20 0 EDADMP Cc1ncsc1CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004146967 711558371 /nfs/dbraw/zinc/55/83/71/711558371.db2.gz CDLOMCMBHMNGLJ-AWEZNQCLSA-N 2 1 336.505 1.526 20 0 EDADMP CO[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001004149180 711562965 /nfs/dbraw/zinc/56/29/65/711562965.db2.gz FRHJXXYTYVRQPP-MJGOQNOKSA-N 2 1 345.487 1.906 20 0 EDADMP CO[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001004149177 711563100 /nfs/dbraw/zinc/56/31/00/711563100.db2.gz FRHJXXYTYVRQPP-IEBWSBKVSA-N 2 1 345.487 1.906 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922465340 711581052 /nfs/dbraw/zinc/58/10/52/711581052.db2.gz BAWJCRSGSCEGSY-ARFHVFGLSA-N 2 1 340.537 1.740 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922465340 711581055 /nfs/dbraw/zinc/58/10/55/711581055.db2.gz BAWJCRSGSCEGSY-ARFHVFGLSA-N 2 1 340.537 1.740 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000922465340 711581058 /nfs/dbraw/zinc/58/10/58/711581058.db2.gz BAWJCRSGSCEGSY-ARFHVFGLSA-N 2 1 340.537 1.740 20 0 EDADMP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)CC[C@@H]2C1 ZINC000946614537 711861252 /nfs/dbraw/zinc/86/12/52/711861252.db2.gz BONWLXIACFCPQQ-HRCADAONSA-N 2 1 334.464 1.548 20 0 EDADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)CC[C@@H]2C1 ZINC000946614537 711861254 /nfs/dbraw/zinc/86/12/54/711861254.db2.gz BONWLXIACFCPQQ-HRCADAONSA-N 2 1 334.464 1.548 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2conc2C)C1 ZINC001033127551 711878088 /nfs/dbraw/zinc/87/80/88/711878088.db2.gz VSOOWKBTDKZRKC-IRXDYDNUSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2conc2C)C1 ZINC001033127551 711878091 /nfs/dbraw/zinc/87/80/91/711878091.db2.gz VSOOWKBTDKZRKC-IRXDYDNUSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2conc2C)C1 ZINC001033127551 711878092 /nfs/dbraw/zinc/87/80/92/711878092.db2.gz VSOOWKBTDKZRKC-IRXDYDNUSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2conc2C)C1 ZINC001033127551 711878094 /nfs/dbraw/zinc/87/80/94/711878094.db2.gz VSOOWKBTDKZRKC-IRXDYDNUSA-N 2 1 334.464 1.890 20 0 EDADMP CN(CCC[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O)CC[NH+](C)C ZINC000344080773 282092450 /nfs/dbraw/zinc/09/24/50/282092450.db2.gz ZKMQRXFRHWPADI-LJQANCHMSA-N 2 1 346.519 1.997 20 0 EDADMP CN(CCC[N@@H+](C)Cc1cc(=O)n2ccccc2n1)CC[NH+](C)C ZINC000344028032 282092479 /nfs/dbraw/zinc/09/24/79/282092479.db2.gz LTXCIAGMSHZNER-UHFFFAOYSA-N 2 1 331.464 1.010 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000333661820 282115830 /nfs/dbraw/zinc/11/58/30/282115830.db2.gz MFUTVYJBAQSXCC-KRWDZBQOSA-N 2 1 334.468 1.394 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000560961107 306281297 /nfs/dbraw/zinc/28/12/97/306281297.db2.gz XXMCEBIHRFCKOA-AWEZNQCLSA-N 2 1 346.475 1.978 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC1CC[NH2+]CC1 ZINC000561207196 306284728 /nfs/dbraw/zinc/28/47/28/306284728.db2.gz WYZUMOPQRBFSBR-UHFFFAOYSA-N 2 1 345.491 1.202 20 0 EDADMP COC1CC[NH+](CCNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000150764519 539712601 /nfs/dbraw/zinc/71/26/01/539712601.db2.gz LEGHSICLAQHLSC-MRXNPFEDSA-N 2 1 340.512 1.374 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000343015024 539776087 /nfs/dbraw/zinc/77/60/87/539776087.db2.gz PHGYXVKYTHGLFQ-PMPSAXMXSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152559490 539820364 /nfs/dbraw/zinc/82/03/64/539820364.db2.gz YTZHHLYXZOGFRV-ZBFHGGJFSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152559490 539820365 /nfs/dbraw/zinc/82/03/65/539820365.db2.gz YTZHHLYXZOGFRV-ZBFHGGJFSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000442890546 305230394 /nfs/dbraw/zinc/23/03/94/305230394.db2.gz OTVIJAQGNRQQPH-NSHDSACASA-N 2 1 334.386 1.953 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)N3CC[C@H]([NH3+])C3)CC[N@H+]2C2CC2)c1 ZINC000562806006 306309550 /nfs/dbraw/zinc/30/95/50/306309550.db2.gz DYHXQAMDHULTGE-JCGIZDLHSA-N 2 1 344.459 1.716 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)c2ccccc2CC[NH2+]C)CC1 ZINC000563211354 306323793 /nfs/dbraw/zinc/32/37/93/306323793.db2.gz XEURETCYSURFCF-UHFFFAOYSA-N 2 1 332.492 1.206 20 0 EDADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000280220994 540071362 /nfs/dbraw/zinc/07/13/62/540071362.db2.gz USKSWXWUKNMWRL-INIZCTEOSA-N 2 1 347.459 1.445 20 0 EDADMP CC(C)[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000048395124 540184621 /nfs/dbraw/zinc/18/46/21/540184621.db2.gz FDDSYVNXYZIUIR-KRWDZBQOSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385722998 540189390 /nfs/dbraw/zinc/18/93/90/540189390.db2.gz NJHRGNZVNNWLTM-HKUYNNGSSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385722998 540189393 /nfs/dbraw/zinc/18/93/93/540189393.db2.gz NJHRGNZVNNWLTM-HKUYNNGSSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000354676165 299234039 /nfs/dbraw/zinc/23/40/39/299234039.db2.gz NWJQKDVSDGEBMM-IKGGRYGDSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000079100865 138260237 /nfs/dbraw/zinc/26/02/37/138260237.db2.gz DEMLDFYJNMDYBJ-DLBZAZTESA-N 2 1 342.528 1.619 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)cs1 ZINC000186820808 236032949 /nfs/dbraw/zinc/03/29/49/236032949.db2.gz ORGKJXYHOUFBBI-WBMJQRKESA-N 2 1 336.505 1.778 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cn1 ZINC000187035096 236100773 /nfs/dbraw/zinc/10/07/73/236100773.db2.gz BPQNEBDZDGUZFD-ZDUSSCGKSA-N 2 1 348.472 1.879 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CC)C2)CC[N@H+]1CCOC ZINC000413833397 304079411 /nfs/dbraw/zinc/07/94/11/304079411.db2.gz IRRKTMNTAKFFBS-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC)C2)CC[NH+]1CCOC ZINC000413833397 304079412 /nfs/dbraw/zinc/07/94/12/304079412.db2.gz IRRKTMNTAKFFBS-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC000413833397 304079414 /nfs/dbraw/zinc/07/94/14/304079414.db2.gz IRRKTMNTAKFFBS-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000413847585 304080881 /nfs/dbraw/zinc/08/08/81/304080881.db2.gz VEPLECQSYQAADB-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP C[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000564714370 306363216 /nfs/dbraw/zinc/36/32/16/306363216.db2.gz UGWCVVNRVDIBRI-NSHDSACASA-N 2 1 335.358 1.886 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000564714370 306363217 /nfs/dbraw/zinc/36/32/17/306363217.db2.gz UGWCVVNRVDIBRI-NSHDSACASA-N 2 1 335.358 1.886 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1CCCC1 ZINC000564716383 306363452 /nfs/dbraw/zinc/36/34/52/306363452.db2.gz VSIBJPBTTCWMJQ-ZWKOTPCHSA-N 2 1 330.476 1.916 20 0 EDADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000422912459 296000218 /nfs/dbraw/zinc/00/02/18/296000218.db2.gz WDYFJYNFHWJYIM-WMZOPIPTSA-N 3 1 338.540 1.830 20 0 EDADMP COC(=O)[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC[N@H+](C)C1 ZINC000413926565 304090668 /nfs/dbraw/zinc/09/06/68/304090668.db2.gz WMDKPNAUVIQBEL-HOTGVXAUSA-N 2 1 339.480 1.060 20 0 EDADMP COC(=O)[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC[N@@H+](C)C1 ZINC000413926565 304090670 /nfs/dbraw/zinc/09/06/70/304090670.db2.gz WMDKPNAUVIQBEL-HOTGVXAUSA-N 2 1 339.480 1.060 20 0 EDADMP C[N@H+]1CC[C@](O)(CN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959644 306371431 /nfs/dbraw/zinc/37/14/31/306371431.db2.gz GORPDHCVFKWKHQ-ICSRJNTNSA-N 2 1 329.488 1.840 20 0 EDADMP C[NH+]1CC[C@](O)(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959644 306371432 /nfs/dbraw/zinc/37/14/32/306371432.db2.gz GORPDHCVFKWKHQ-ICSRJNTNSA-N 2 1 329.488 1.840 20 0 EDADMP C[NH+]1CC[C@](O)(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959644 306371433 /nfs/dbraw/zinc/37/14/33/306371433.db2.gz GORPDHCVFKWKHQ-ICSRJNTNSA-N 2 1 329.488 1.840 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCN2C(=O)CNC2=O)cc1 ZINC000183682575 138786677 /nfs/dbraw/zinc/78/66/77/138786677.db2.gz CZRCOJBTGGRJKD-ZDUSSCGKSA-N 2 1 341.415 1.773 20 0 EDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000414183850 304104720 /nfs/dbraw/zinc/10/47/20/304104720.db2.gz NYROXSPREKDZSR-KBPBESRZSA-N 2 1 325.478 1.717 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000565836623 306393216 /nfs/dbraw/zinc/39/32/16/306393216.db2.gz RIWLFGUAGMDDNJ-ZAWLATJESA-N 2 1 345.487 1.780 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000565836623 306393217 /nfs/dbraw/zinc/39/32/17/306393217.db2.gz RIWLFGUAGMDDNJ-ZAWLATJESA-N 2 1 345.487 1.780 20 0 EDADMP CC(C)c1nc(C2([NH2+]C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCCC2)no1 ZINC000414699015 304129359 /nfs/dbraw/zinc/12/93/59/304129359.db2.gz DTMVTGCLHQMYNV-AWEZNQCLSA-N 2 1 349.479 1.749 20 0 EDADMP C[C@@]1(c2ccc(F)cc2)CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414748098 304136776 /nfs/dbraw/zinc/13/67/76/304136776.db2.gz UCNZXZBDKKWBIQ-HNAYVOBHSA-N 2 1 333.451 1.986 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C[NH2+]CC)c2)C1 ZINC000414748851 304136668 /nfs/dbraw/zinc/13/66/68/304136668.db2.gz VDYIDHOLYZJMIZ-INIZCTEOSA-N 2 1 346.475 1.583 20 0 EDADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188729817 284026175 /nfs/dbraw/zinc/02/61/75/284026175.db2.gz MGFHRVQSXOVWCD-OAHLLOKOSA-N 2 1 339.443 1.450 20 0 EDADMP C[NH+]1CCN(c2ncc(CN[C@@H](C[NH3+])C3CCCCC3)cn2)CC1 ZINC000414837719 304146542 /nfs/dbraw/zinc/14/65/42/304146542.db2.gz JQBZQSDDBUSKHM-KRWDZBQOSA-N 2 1 332.496 1.226 20 0 EDADMP CC(C)[N@H+]1CCc2nc(CN[C@H]3C[NH2+]CCC3(F)F)sc2C1 ZINC000415007579 304150144 /nfs/dbraw/zinc/15/01/44/304150144.db2.gz VCDZPYQEUMCZBC-ZDUSSCGKSA-N 2 1 330.448 1.996 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)c1 ZINC000415044350 304153735 /nfs/dbraw/zinc/15/37/35/304153735.db2.gz BSLKIIMUKSVAKZ-UHFFFAOYSA-N 2 1 330.432 1.113 20 0 EDADMP CC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000103319107 204074883 /nfs/dbraw/zinc/07/48/83/204074883.db2.gz BVORJRSEZYSZTE-IBGZPJMESA-N 2 1 344.503 1.898 20 0 EDADMP CC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000103319107 204074887 /nfs/dbraw/zinc/07/48/87/204074887.db2.gz BVORJRSEZYSZTE-IBGZPJMESA-N 2 1 344.503 1.898 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)COc3cccc(C)c3)C2)CC1 ZINC000107371646 204235495 /nfs/dbraw/zinc/23/54/95/204235495.db2.gz BSIKOWDRFAWPPT-MOPGFXCFSA-N 2 1 347.503 1.447 20 0 EDADMP C[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000109627393 204287660 /nfs/dbraw/zinc/28/76/60/204287660.db2.gz JENRYCZINAXFLX-DLBZAZTESA-N 2 1 346.519 1.868 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)[C@H](C)C1 ZINC000415142457 304164086 /nfs/dbraw/zinc/16/40/86/304164086.db2.gz AMYPUGNRSBWLDR-RHSMWYFYSA-N 2 1 346.475 1.533 20 0 EDADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415146546 304164938 /nfs/dbraw/zinc/16/49/38/304164938.db2.gz YVXSLGXFSVRGLF-ZWKOTPCHSA-N 2 1 346.450 1.854 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000236684760 139028684 /nfs/dbraw/zinc/02/86/84/139028684.db2.gz QLYARYBPSNYBLR-KRWDZBQOSA-N 2 1 336.455 1.437 20 0 EDADMP CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000236803475 139031904 /nfs/dbraw/zinc/03/19/04/139031904.db2.gz CADRVPHHJVNVIP-AEFFLSMTSA-N 2 1 332.492 1.831 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cc2F)CC1 ZINC000110650661 220053425 /nfs/dbraw/zinc/05/34/25/220053425.db2.gz SPOYPUFGJGFQLL-OAHLLOKOSA-N 2 1 348.466 1.649 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)cc2F)CC1 ZINC000110650661 220053429 /nfs/dbraw/zinc/05/34/29/220053429.db2.gz SPOYPUFGJGFQLL-OAHLLOKOSA-N 2 1 348.466 1.649 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000237215261 139044623 /nfs/dbraw/zinc/04/46/23/139044623.db2.gz DFICBPGUFUNGCD-FQEVSTJZSA-N 2 1 344.503 1.440 20 0 EDADMP C[C@@](C[NH3+])(NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000237628254 139056264 /nfs/dbraw/zinc/05/62/64/139056264.db2.gz HVOTVQVLLIUDBP-MJGOQNOKSA-N 2 1 331.460 1.521 20 0 EDADMP C[C@@](C[NH3+])(NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000237628254 139056265 /nfs/dbraw/zinc/05/62/65/139056265.db2.gz HVOTVQVLLIUDBP-MJGOQNOKSA-N 2 1 331.460 1.521 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@@]3(C)CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000237631417 139056406 /nfs/dbraw/zinc/05/64/06/139056406.db2.gz ADGULIBNJCPSSE-YRNRMSPPSA-N 2 1 345.487 1.912 20 0 EDADMP [NH3+]Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000237977414 139065556 /nfs/dbraw/zinc/06/55/56/139065556.db2.gz GEMJVRFPNQUKOC-UHFFFAOYSA-N 2 1 339.439 1.908 20 0 EDADMP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000245461264 139075751 /nfs/dbraw/zinc/07/57/51/139075751.db2.gz MVCBRYZNIHJRCZ-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000245461264 139075752 /nfs/dbraw/zinc/07/57/52/139075752.db2.gz MVCBRYZNIHJRCZ-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CC[C@@H](CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000245461264 139075753 /nfs/dbraw/zinc/07/57/53/139075753.db2.gz MVCBRYZNIHJRCZ-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CC[C@@H](CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000245461264 139075754 /nfs/dbraw/zinc/07/57/54/139075754.db2.gz MVCBRYZNIHJRCZ-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](CO)C(C)C)CC2)cc1 ZINC000156284897 206068457 /nfs/dbraw/zinc/06/84/57/206068457.db2.gz RTPZSYGLLHTWAK-LJQANCHMSA-N 2 1 347.503 1.636 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000158077091 206171782 /nfs/dbraw/zinc/17/17/82/206171782.db2.gz CBDQDNQPHZRAQH-WMZOPIPTSA-N 2 1 336.476 1.846 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000158077091 206171787 /nfs/dbraw/zinc/17/17/87/206171787.db2.gz CBDQDNQPHZRAQH-WMZOPIPTSA-N 2 1 336.476 1.846 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000158077091 206171791 /nfs/dbraw/zinc/17/17/91/206171791.db2.gz CBDQDNQPHZRAQH-WMZOPIPTSA-N 2 1 336.476 1.846 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCOCC1(C)C ZINC000246016448 139092382 /nfs/dbraw/zinc/09/23/82/139092382.db2.gz MTLPLPBUXASPKT-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP COC(=O)c1ccc(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000247282012 139143601 /nfs/dbraw/zinc/14/36/01/139143601.db2.gz SVYGKQNKGAEFPP-NVXWUHKLSA-N 2 1 345.443 1.828 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000248169395 139159203 /nfs/dbraw/zinc/15/92/03/139159203.db2.gz IUPYHHFHWFKORQ-FUHWJXTLSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000248169395 139159204 /nfs/dbraw/zinc/15/92/04/139159204.db2.gz IUPYHHFHWFKORQ-FUHWJXTLSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000248169395 139159205 /nfs/dbraw/zinc/15/92/05/139159205.db2.gz IUPYHHFHWFKORQ-FUHWJXTLSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000248169395 139159206 /nfs/dbraw/zinc/15/92/06/139159206.db2.gz IUPYHHFHWFKORQ-FUHWJXTLSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)cn2cc[nH+]c12 ZINC000415392448 304212424 /nfs/dbraw/zinc/21/24/24/304212424.db2.gz YAVKGEUAMNQSJR-LBPRGKRZSA-N 2 1 329.404 1.167 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000248901884 139179923 /nfs/dbraw/zinc/17/99/23/139179923.db2.gz UNQURWCPJWHCDB-NXHRZFHOSA-N 2 1 331.460 1.344 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000248901884 139179924 /nfs/dbraw/zinc/17/99/24/139179924.db2.gz UNQURWCPJWHCDB-NXHRZFHOSA-N 2 1 331.460 1.344 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000248901884 139179925 /nfs/dbraw/zinc/17/99/25/139179925.db2.gz UNQURWCPJWHCDB-NXHRZFHOSA-N 2 1 331.460 1.344 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000248901884 139179926 /nfs/dbraw/zinc/17/99/26/139179926.db2.gz UNQURWCPJWHCDB-NXHRZFHOSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H]([NH3+])CCC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000248881322 139179047 /nfs/dbraw/zinc/17/90/47/139179047.db2.gz SIEYXJBPICCVLM-HRCADAONSA-N 2 1 325.497 1.852 20 0 EDADMP COC[C@]1(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261555627 139208903 /nfs/dbraw/zinc/20/89/03/139208903.db2.gz BNQFWTMWSHFYLJ-HQRMLTQVSA-N 2 1 345.487 1.639 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000261683200 139217285 /nfs/dbraw/zinc/21/72/85/139217285.db2.gz KDCFQTFKRISMNZ-GOSISDBHSA-N 3 1 336.524 1.393 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(O)cc(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261721902 139220554 /nfs/dbraw/zinc/22/05/54/139220554.db2.gz QVNRTPHBZRENRH-CXAGYDPISA-N 2 1 335.423 1.612 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000261825993 139229494 /nfs/dbraw/zinc/22/94/94/139229494.db2.gz MUWOYDANEQBZIS-IXDOHACOSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261827319 139229628 /nfs/dbraw/zinc/22/96/28/139229628.db2.gz PUQRBXLXVSEZIT-GOSISDBHSA-N 2 1 334.439 1.145 20 0 EDADMP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261827319 139229629 /nfs/dbraw/zinc/22/96/29/139229629.db2.gz PUQRBXLXVSEZIT-GOSISDBHSA-N 2 1 334.439 1.145 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000261906480 139235758 /nfs/dbraw/zinc/23/57/58/139235758.db2.gz VUZXJXQOLGEQKA-PBHICJAKSA-N 2 1 344.459 1.465 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000261906480 139235759 /nfs/dbraw/zinc/23/57/59/139235759.db2.gz VUZXJXQOLGEQKA-PBHICJAKSA-N 2 1 344.459 1.465 20 0 EDADMP COc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262035039 139245584 /nfs/dbraw/zinc/24/55/84/139245584.db2.gz XWPFFRDCEJRAAX-KSZLIROESA-N 2 1 347.459 1.172 20 0 EDADMP COC[C@]1(C[NH2+][C@@H](C)CC(=O)NCCc2ccccc2)CCC[NH2+]1 ZINC000414945883 250896618 /nfs/dbraw/zinc/89/66/18/250896618.db2.gz RDWDBCDQZQFMDE-QFBILLFUSA-N 2 1 333.476 1.482 20 0 EDADMP C[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)[N@H+]1CCC[C@H](C)C1 ZINC000262109373 139251557 /nfs/dbraw/zinc/25/15/57/139251557.db2.gz FHEUTJKVSHMXLX-HOTGVXAUSA-N 2 1 333.480 1.198 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262131194 139253577 /nfs/dbraw/zinc/25/35/77/139253577.db2.gz GNLFFNPSDAXKQS-UHFFFAOYSA-N 2 1 331.460 1.395 20 0 EDADMP c1nc(-c2ccncc2)sc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262119101 139252518 /nfs/dbraw/zinc/25/25/18/139252518.db2.gz LTHDUMICSGFEQB-OAHLLOKOSA-N 2 1 329.473 1.685 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000262141852 139254537 /nfs/dbraw/zinc/25/45/37/139254537.db2.gz PKMURTQGGXWNGK-BEFAXECRSA-N 2 1 349.475 1.912 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000174671518 207043987 /nfs/dbraw/zinc/04/39/87/207043987.db2.gz GKNWTXMEMPOTHX-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000174671518 207043991 /nfs/dbraw/zinc/04/39/91/207043991.db2.gz GKNWTXMEMPOTHX-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP CCC[NH+](CC)CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000174671518 207043994 /nfs/dbraw/zinc/04/39/94/207043994.db2.gz GKNWTXMEMPOTHX-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP CCC[NH+](CC)CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000174671518 207043997 /nfs/dbraw/zinc/04/39/97/207043997.db2.gz GKNWTXMEMPOTHX-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2cccc(C[NH2+]C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000415941053 251037069 /nfs/dbraw/zinc/03/70/69/251037069.db2.gz GDWHCDIRALQIAD-WMZOPIPTSA-N 2 1 346.475 1.981 20 0 EDADMP O=C(CC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2)N1CC[NH2+]CC1 ZINC000262252589 139263741 /nfs/dbraw/zinc/26/37/41/139263741.db2.gz WYBOUXOXEFZLMZ-MRXNPFEDSA-N 2 1 345.443 1.417 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416831301 251111996 /nfs/dbraw/zinc/11/19/96/251111996.db2.gz AVMCBPNDPASFIY-WMZOPIPTSA-N 2 1 328.460 1.797 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000416874326 251114880 /nfs/dbraw/zinc/11/48/80/251114880.db2.gz PMKFGYQBQMUPIX-QZTJIDSGSA-N 2 1 348.491 1.656 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262317123 139269515 /nfs/dbraw/zinc/26/95/15/139269515.db2.gz UWEMQRFDVDZRHG-FGTMMUONSA-N 2 1 344.503 1.831 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417013590 251133325 /nfs/dbraw/zinc/13/33/25/251133325.db2.gz YUCLVOWXZCEZSG-WBVHZDCISA-N 2 1 330.476 1.814 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000417026271 251139221 /nfs/dbraw/zinc/13/92/21/251139221.db2.gz ABXFFAJQDAYLMT-QGZVFWFLSA-N 2 1 341.544 1.419 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000175821306 207163303 /nfs/dbraw/zinc/16/33/03/207163303.db2.gz UBELNFNOGQTVQS-INIZCTEOSA-N 2 1 342.528 1.764 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000175821306 207163307 /nfs/dbraw/zinc/16/33/07/207163307.db2.gz UBELNFNOGQTVQS-INIZCTEOSA-N 2 1 342.528 1.764 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000175821306 207163310 /nfs/dbraw/zinc/16/33/10/207163310.db2.gz UBELNFNOGQTVQS-INIZCTEOSA-N 2 1 342.528 1.764 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCC(C[NH3+])CC2)[C@H](C)C1 ZINC000417669075 251221530 /nfs/dbraw/zinc/22/15/30/251221530.db2.gz KTMJVKWYNYUKHE-NVXWUHKLSA-N 2 1 340.512 1.504 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000417719051 251240674 /nfs/dbraw/zinc/24/06/74/251240674.db2.gz WERDMSCPIYJCEP-RDJZCZTQSA-N 2 1 334.464 1.269 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC([NH3+])CC1 ZINC000417737069 251248559 /nfs/dbraw/zinc/24/85/59/251248559.db2.gz VKIKXIQIMMWITC-INIZCTEOSA-N 2 1 345.491 1.330 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417873604 251309755 /nfs/dbraw/zinc/30/97/55/251309755.db2.gz LZWSMNCOVKIKHI-QAPCUYQASA-N 2 1 330.476 1.682 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000418123553 251335798 /nfs/dbraw/zinc/33/57/98/251335798.db2.gz ZJWJRBOOFUFXNZ-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC(C[NH2+]C)CC1)CCC(F)(F)F ZINC000418080573 251321193 /nfs/dbraw/zinc/32/11/93/251321193.db2.gz SHGUMEIXJNTGIU-UHFFFAOYSA-N 2 1 338.418 1.902 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NCC[C@H]2CCC[NH2+]C2)CCCO1 ZINC000418119190 251333522 /nfs/dbraw/zinc/33/35/22/251333522.db2.gz UMCJLYGBDFZAHP-JKSUJKDBSA-N 2 1 326.485 1.176 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCCO1 ZINC000418123501 251334524 /nfs/dbraw/zinc/33/45/24/251334524.db2.gz ZCSWUGHBULKXAW-BZUAXINKSA-N 2 1 326.485 1.304 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418422368 251366447 /nfs/dbraw/zinc/36/64/47/251366447.db2.gz ASVVIPGYDFPDMO-SFHVURJKSA-N 2 1 332.492 1.930 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000262633338 139291757 /nfs/dbraw/zinc/29/17/57/139291757.db2.gz GIGKMHIFHQIPKS-QFBILLFUSA-N 2 1 344.503 1.568 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000262637239 139292091 /nfs/dbraw/zinc/29/20/91/139292091.db2.gz IEXCHKJGONNMPV-IKGGRYGDSA-N 2 1 330.476 1.441 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000262695476 139297070 /nfs/dbraw/zinc/29/70/70/139297070.db2.gz DDSSIJNPPMRKMY-LJQANCHMSA-N 2 1 348.491 1.769 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)CC[C@H](C)[NH3+])cc2)CC1 ZINC000262819696 139305944 /nfs/dbraw/zinc/30/59/44/139305944.db2.gz PLAASCYJWQDUPM-INIZCTEOSA-N 2 1 332.492 1.568 20 0 EDADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000423175684 252043073 /nfs/dbraw/zinc/04/30/73/252043073.db2.gz ARFRQFJGXPDLAM-LJQANCHMSA-N 2 1 344.547 1.967 20 0 EDADMP COC[C@]1(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000423356717 252052300 /nfs/dbraw/zinc/05/23/00/252052300.db2.gz HFXXJCRDSGUBGK-WDYCEAGBSA-N 2 1 331.460 1.564 20 0 EDADMP [NH3+]CC1(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000423857177 252093827 /nfs/dbraw/zinc/09/38/27/252093827.db2.gz XRGVYHKOIFBSKZ-QGZVFWFLSA-N 2 1 331.460 1.523 20 0 EDADMP CC[C@@H]1CN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000423865479 252096067 /nfs/dbraw/zinc/09/60/67/252096067.db2.gz DFNNEYRMTHAMSY-RKVPGOIHSA-N 2 1 331.460 1.889 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@H]1[NH+]1CCOCC1 ZINC000423868275 252099344 /nfs/dbraw/zinc/09/93/44/252099344.db2.gz HLCCAOYDZHPNMD-SFNKJDCFSA-N 2 1 335.492 1.335 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000424213803 252163855 /nfs/dbraw/zinc/16/38/55/252163855.db2.gz BAELAIWECXIGBP-FQEVSTJZSA-N 2 1 345.487 1.487 20 0 EDADMP COC(=O)CC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000424308698 252194070 /nfs/dbraw/zinc/19/40/70/252194070.db2.gz HAAPQUGKSATHEW-VLOYRQLPSA-N 2 1 346.471 1.801 20 0 EDADMP COC(=O)CC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000424308698 252194074 /nfs/dbraw/zinc/19/40/74/252194074.db2.gz HAAPQUGKSATHEW-VLOYRQLPSA-N 2 1 346.471 1.801 20 0 EDADMP O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424479837 252248066 /nfs/dbraw/zinc/24/80/66/252248066.db2.gz OXWJNJVTWCVJBF-FGTMMUONSA-N 2 1 328.460 1.512 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000263113763 139323097 /nfs/dbraw/zinc/32/30/97/139323097.db2.gz ANDYQKXMHRMMNK-IMTBSYHQSA-N 2 1 325.659 1.834 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237091537 285031813 /nfs/dbraw/zinc/03/18/13/285031813.db2.gz IXUQVXNOFSJORX-SFHVURJKSA-N 2 1 345.487 1.535 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000349933635 285059520 /nfs/dbraw/zinc/05/95/20/285059520.db2.gz LUBIPIHZNORTBK-PMPSAXMXSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000349933635 285059521 /nfs/dbraw/zinc/05/95/21/285059521.db2.gz LUBIPIHZNORTBK-PMPSAXMXSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000349933635 285059522 /nfs/dbraw/zinc/05/95/22/285059522.db2.gz LUBIPIHZNORTBK-PMPSAXMXSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H]1C(=O)OC ZINC000351779066 285248688 /nfs/dbraw/zinc/24/86/88/285248688.db2.gz JEOFMRTULKEJCY-PMPSAXMXSA-N 2 1 339.480 1.060 20 0 EDADMP CC(C)[C@H]1CN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC[N@H+]1C ZINC000490293750 255083000 /nfs/dbraw/zinc/08/30/00/255083000.db2.gz NYRCFOFXSAIXDR-QGZVFWFLSA-N 2 1 345.491 1.246 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)n(C)c2=O)[C@H](C)C1 ZINC000494485301 255252413 /nfs/dbraw/zinc/25/24/13/255252413.db2.gz LUWDTSXGIPQPQT-CRAIPNDOSA-N 2 1 335.492 1.920 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496175039 255361373 /nfs/dbraw/zinc/36/13/73/255361373.db2.gz YDINAYWMITULFP-JYJNAYRXSA-N 2 1 343.512 1.782 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496175039 255361374 /nfs/dbraw/zinc/36/13/74/255361374.db2.gz YDINAYWMITULFP-JYJNAYRXSA-N 2 1 343.512 1.782 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496175039 255361375 /nfs/dbraw/zinc/36/13/75/255361375.db2.gz YDINAYWMITULFP-JYJNAYRXSA-N 2 1 343.512 1.782 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496175039 255361376 /nfs/dbraw/zinc/36/13/76/255361376.db2.gz YDINAYWMITULFP-JYJNAYRXSA-N 2 1 343.512 1.782 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](C)CC1 ZINC000173391150 285277639 /nfs/dbraw/zinc/27/76/39/285277639.db2.gz DYNUDCPORGQJQB-KRWDZBQOSA-N 3 1 339.528 1.138 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCSC ZINC000341180805 285277906 /nfs/dbraw/zinc/27/79/06/285277906.db2.gz PUCIMRLFOPNBTG-HNNXBMFYSA-N 2 1 330.542 1.797 20 0 EDADMP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C2CC2)CC1 ZINC000264265868 139391612 /nfs/dbraw/zinc/39/16/12/139391612.db2.gz NXBUSAOCKQIPBN-KRWDZBQOSA-N 2 1 328.460 1.751 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C2CC2)CC1 ZINC000264265868 139391613 /nfs/dbraw/zinc/39/16/13/139391613.db2.gz NXBUSAOCKQIPBN-KRWDZBQOSA-N 2 1 328.460 1.751 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000415928078 304285811 /nfs/dbraw/zinc/28/58/11/304285811.db2.gz GVUQWFQBQJLXKB-GOSISDBHSA-N 2 1 347.507 1.800 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000269933576 140020549 /nfs/dbraw/zinc/02/05/49/140020549.db2.gz DSGGZYPHGLUCJN-MJGOQNOKSA-N 2 1 345.487 1.908 20 0 EDADMP O=C(CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)NC1CC1 ZINC000271327417 140278754 /nfs/dbraw/zinc/27/87/54/140278754.db2.gz YJERXQJSNFBDOJ-LJQANCHMSA-N 2 1 342.487 1.157 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC[N@H+]1CC(C)(C)O ZINC000332226034 141143240 /nfs/dbraw/zinc/14/32/40/141143240.db2.gz BYRBOOQMQZAGCL-OAGGEKHMSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC[NH+]1CC(C)(C)O ZINC000332226034 141143241 /nfs/dbraw/zinc/14/32/41/141143241.db2.gz BYRBOOQMQZAGCL-OAGGEKHMSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000332603972 141212974 /nfs/dbraw/zinc/21/29/74/141212974.db2.gz PPUPWQNLKLDJIT-CQSZACIVSA-N 2 1 347.459 1.656 20 0 EDADMP C[C@@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C1=CC[N@@H+](C)CC1 ZINC000333247436 141287452 /nfs/dbraw/zinc/28/74/52/141287452.db2.gz BXKVEFIPUDFPPT-IUODEOHRSA-N 2 1 329.448 1.670 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000333599853 141343133 /nfs/dbraw/zinc/34/31/33/141343133.db2.gz WKGJMZJUAWKYQN-KRWDZBQOSA-N 2 1 338.496 1.272 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc(N2CCCC2)[nH+]1 ZINC000333614610 141345013 /nfs/dbraw/zinc/34/50/13/141345013.db2.gz QZTABDHEXPBLJV-CVEARBPZSA-N 2 1 329.448 1.494 20 0 EDADMP c1[nH+]cn2c1C[C@@H](c1nc([C@H]3CN4CCCC[C@@H]4CO3)no1)CC2 ZINC000333749416 141372589 /nfs/dbraw/zinc/37/25/89/141372589.db2.gz SQRZCSAYHMSYRU-GZBFAFLISA-N 2 1 329.404 1.922 20 0 EDADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCN3C(=O)N[C@H](C)C3=O)C1)CCCC2 ZINC000333812885 141386506 /nfs/dbraw/zinc/38/65/06/141386506.db2.gz HECRGMDTCCFURB-OCCSQVGLSA-N 2 1 345.447 1.257 20 0 EDADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCN3C(=O)N[C@H](C)C3=O)C1)CCCC2 ZINC000333812885 141386507 /nfs/dbraw/zinc/38/65/07/141386507.db2.gz HECRGMDTCCFURB-OCCSQVGLSA-N 2 1 345.447 1.257 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cnn(C)c1C ZINC000339655415 142109314 /nfs/dbraw/zinc/10/93/14/142109314.db2.gz OUTOICGVVDTFJE-QGZVFWFLSA-N 2 1 335.496 1.146 20 0 EDADMP COC(=O)c1cn(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)nn1 ZINC000340381883 142368691 /nfs/dbraw/zinc/36/86/91/142368691.db2.gz HDINTVMHXYOFBQ-NVXWUHKLSA-N 2 1 343.431 1.490 20 0 EDADMP COC(=O)c1cn(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)nn1 ZINC000340381883 142368693 /nfs/dbraw/zinc/36/86/93/142368693.db2.gz HDINTVMHXYOFBQ-NVXWUHKLSA-N 2 1 343.431 1.490 20 0 EDADMP CC(C)C[C@@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000340407775 142381130 /nfs/dbraw/zinc/38/11/30/142381130.db2.gz WPZOQRAAZBRKGW-OWCLPIDISA-N 2 1 340.512 1.068 20 0 EDADMP C[C@H](C(=O)N1CCC([NH+](C)CCCO)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000345010410 143038882 /nfs/dbraw/zinc/03/88/82/143038882.db2.gz NZGNKSJOOISXMX-OWCLPIDISA-N 2 1 325.497 1.553 20 0 EDADMP C[C@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000345010410 143038883 /nfs/dbraw/zinc/03/88/83/143038883.db2.gz NZGNKSJOOISXMX-OWCLPIDISA-N 2 1 325.497 1.553 20 0 EDADMP C[C@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000345010410 143038884 /nfs/dbraw/zinc/03/88/84/143038884.db2.gz NZGNKSJOOISXMX-OWCLPIDISA-N 2 1 325.497 1.553 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CCC[N@H+]1C ZINC000345324815 143078089 /nfs/dbraw/zinc/07/80/89/143078089.db2.gz RIGPEMZDJULNSQ-VQIMIIECSA-N 2 1 344.503 1.647 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000345751574 143129002 /nfs/dbraw/zinc/12/90/02/143129002.db2.gz CRPLIASAKXJWGI-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP COc1ccsc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346645537 143225699 /nfs/dbraw/zinc/22/56/99/143225699.db2.gz DTURTFVXGUXEMQ-UONOGXRCSA-N 2 1 337.489 1.837 20 0 EDADMP O[C@H](COc1ccccc1)C[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346863173 143253068 /nfs/dbraw/zinc/25/30/68/143253068.db2.gz XQIUVNFBVYFFKL-ROUUACIJSA-N 2 1 333.476 1.044 20 0 EDADMP COc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1OC ZINC000347110260 143283682 /nfs/dbraw/zinc/28/36/82/143283682.db2.gz PFARQHVVWNDNJE-INIZCTEOSA-N 2 1 347.459 1.348 20 0 EDADMP CCCC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000347454554 143323434 /nfs/dbraw/zinc/32/34/34/143323434.db2.gz LVNDAUBGNZWYSA-OALUTQOASA-N 2 1 346.519 1.999 20 0 EDADMP CCCC[C@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000347454554 143323435 /nfs/dbraw/zinc/32/34/35/143323435.db2.gz LVNDAUBGNZWYSA-OALUTQOASA-N 2 1 346.519 1.999 20 0 EDADMP CCCC[C@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000347454554 143323436 /nfs/dbraw/zinc/32/34/36/143323436.db2.gz LVNDAUBGNZWYSA-OALUTQOASA-N 2 1 346.519 1.999 20 0 EDADMP CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000347729863 143355568 /nfs/dbraw/zinc/35/55/68/143355568.db2.gz WZUBPIOBRFXLNE-UYAOXDASSA-N 2 1 347.503 1.860 20 0 EDADMP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000347957281 143383535 /nfs/dbraw/zinc/38/35/35/143383535.db2.gz CTIOBEGTXIEWGH-JKSUJKDBSA-N 2 1 340.512 1.210 20 0 EDADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000347964059 143384480 /nfs/dbraw/zinc/38/44/80/143384480.db2.gz FKSVMZFUISLVIT-JKSUJKDBSA-N 2 1 340.512 1.166 20 0 EDADMP C[C@H]1COCCN1CCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000347968946 143385048 /nfs/dbraw/zinc/38/50/48/143385048.db2.gz RUFVJHHGKHYTQA-RDJZCZTQSA-N 2 1 338.496 1.080 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000347978998 143386857 /nfs/dbraw/zinc/38/68/57/143386857.db2.gz QOXAYGNZNZXCEX-HZPDHXFCSA-N 2 1 340.512 1.163 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC2CC[NH+](C3CC3)CC2)[N@@H+](C)C1 ZINC000348032862 143394087 /nfs/dbraw/zinc/39/40/87/143394087.db2.gz PHIDPNMKDONNGL-DLBZAZTESA-N 2 1 338.496 1.221 20 0 EDADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351495628 143572660 /nfs/dbraw/zinc/57/26/60/143572660.db2.gz PNFBNVAATIAPDN-YTQUADARSA-N 2 1 345.487 1.810 20 0 EDADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351495628 143572661 /nfs/dbraw/zinc/57/26/61/143572661.db2.gz PNFBNVAATIAPDN-YTQUADARSA-N 2 1 345.487 1.810 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)[NH+](C)C ZINC000416858303 304352430 /nfs/dbraw/zinc/35/24/30/304352430.db2.gz YVNIAFVZZNEITB-ZBFHGGJFSA-N 2 1 336.480 1.971 20 0 EDADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000352674563 149111823 /nfs/dbraw/zinc/11/18/23/149111823.db2.gz BYZFXSYWSRKZCM-OAHLLOKOSA-N 2 1 342.553 1.845 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000352674563 149111824 /nfs/dbraw/zinc/11/18/24/149111824.db2.gz BYZFXSYWSRKZCM-OAHLLOKOSA-N 2 1 342.553 1.845 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000352801540 149169865 /nfs/dbraw/zinc/16/98/65/149169865.db2.gz AWGNIHPWHJMZHG-HHXXYDBFSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21)[N@H+]1CCc2ccccc2C1 ZINC000352801540 149169869 /nfs/dbraw/zinc/16/98/69/149169869.db2.gz AWGNIHPWHJMZHG-HHXXYDBFSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)[NH+]1CCc2ccccc2C1 ZINC000352801540 149169871 /nfs/dbraw/zinc/16/98/71/149169871.db2.gz AWGNIHPWHJMZHG-HHXXYDBFSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)[NH+]1CCc2ccccc2C1 ZINC000352801540 149169874 /nfs/dbraw/zinc/16/98/74/149169874.db2.gz AWGNIHPWHJMZHG-HHXXYDBFSA-N 2 1 327.472 1.986 20 0 EDADMP CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000451850968 286096349 /nfs/dbraw/zinc/09/63/49/286096349.db2.gz MEKJZDHVTFVHMM-SJORKVTESA-N 2 1 335.492 1.619 20 0 EDADMP CN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921725 149216117 /nfs/dbraw/zinc/21/61/17/149216117.db2.gz KWOBAAHMPOOZAI-MPBYHJMHSA-N 2 1 335.492 1.713 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000416964115 304356256 /nfs/dbraw/zinc/35/62/56/304356256.db2.gz VOGVLSNXVHQHMD-HOCLYGCPSA-N 2 1 326.485 1.127 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000416964116 304356293 /nfs/dbraw/zinc/35/62/93/304356293.db2.gz VOGVLSNXVHQHMD-ZBFHGGJFSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH2+]CCNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416965181 304356802 /nfs/dbraw/zinc/35/68/02/304356802.db2.gz CWUNYPVARPZTDI-IYBDPMFKSA-N 2 1 348.491 1.705 20 0 EDADMP O=C(NCC[NH+]1CCC1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000354943358 150046294 /nfs/dbraw/zinc/04/62/94/150046294.db2.gz LGWFIOPETWIDHH-UHFFFAOYSA-N 2 1 344.459 1.085 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354981442 150063547 /nfs/dbraw/zinc/06/35/47/150063547.db2.gz YAXOUVBUUCHWAH-TWMKSMIVSA-N 2 1 325.497 1.530 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354981442 150063548 /nfs/dbraw/zinc/06/35/48/150063548.db2.gz YAXOUVBUUCHWAH-TWMKSMIVSA-N 2 1 325.497 1.530 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354981442 150063550 /nfs/dbraw/zinc/06/35/50/150063550.db2.gz YAXOUVBUUCHWAH-TWMKSMIVSA-N 2 1 325.497 1.530 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354981442 150063551 /nfs/dbraw/zinc/06/35/51/150063551.db2.gz YAXOUVBUUCHWAH-TWMKSMIVSA-N 2 1 325.497 1.530 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000354979900 150063814 /nfs/dbraw/zinc/06/38/14/150063814.db2.gz WFVHDSCGWVIDJB-INIZCTEOSA-N 2 1 332.448 1.613 20 0 EDADMP COc1ccc2nc(CN(C)CC[N@@H+](C)C3CCN(C)CC3)[nH]c2n1 ZINC000355018548 150077972 /nfs/dbraw/zinc/07/79/72/150077972.db2.gz XTVWYBKJXOFLHV-UHFFFAOYSA-N 2 1 346.479 1.424 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)C2 ZINC000355249651 150183849 /nfs/dbraw/zinc/18/38/49/150183849.db2.gz AJJDYABABXCGCD-JKSUJKDBSA-N 2 1 334.464 1.107 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)C2 ZINC000355249651 150183851 /nfs/dbraw/zinc/18/38/51/150183851.db2.gz AJJDYABABXCGCD-JKSUJKDBSA-N 2 1 334.464 1.107 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417036994 304364127 /nfs/dbraw/zinc/36/41/27/304364127.db2.gz SZFIGRBMCACSSP-HXUWFJFHSA-N 2 1 342.487 1.830 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2ccc(F)cc2)CC1 ZINC000357649218 151101902 /nfs/dbraw/zinc/10/19/02/151101902.db2.gz OQOCSZCQHPNYDD-AWEZNQCLSA-N 2 1 337.439 1.789 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000357658979 151105569 /nfs/dbraw/zinc/10/55/69/151105569.db2.gz CINWVZJDJZMKID-ULQDDVLXSA-N 2 1 342.528 1.905 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000358085476 151265369 /nfs/dbraw/zinc/26/53/69/151265369.db2.gz MXEXRJFWFVAQJM-WWGRRREGSA-N 2 1 325.478 1.876 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000358085476 151265370 /nfs/dbraw/zinc/26/53/70/151265370.db2.gz MXEXRJFWFVAQJM-WWGRRREGSA-N 2 1 325.478 1.876 20 0 EDADMP CO[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000359207448 151635362 /nfs/dbraw/zinc/63/53/62/151635362.db2.gz HCJHOXJYYGUKAB-GUDVDZBRSA-N 2 1 345.487 1.863 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)N2CCCCC2)C1 ZINC000359592878 151762218 /nfs/dbraw/zinc/76/22/18/151762218.db2.gz ZQQMRMAXCNRVAM-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000574032674 306640569 /nfs/dbraw/zinc/64/05/69/306640569.db2.gz OCKVDDMECXSTLP-CQSZACIVSA-N 2 1 333.388 1.340 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360572593 152103597 /nfs/dbraw/zinc/10/35/97/152103597.db2.gz XOZLTMWVXDQLBP-IBGZPJMESA-N 2 1 327.428 1.748 20 0 EDADMP CN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000360748690 152184223 /nfs/dbraw/zinc/18/42/23/152184223.db2.gz XBJQJAFMEFPMBA-ZBFHGGJFSA-N 2 1 326.510 1.302 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000361017063 152281220 /nfs/dbraw/zinc/28/12/20/152281220.db2.gz LJSZUOLTIMWXFQ-ZFWWWQNUSA-N 2 1 342.447 1.549 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000361017063 152281223 /nfs/dbraw/zinc/28/12/23/152281223.db2.gz LJSZUOLTIMWXFQ-ZFWWWQNUSA-N 2 1 342.447 1.549 20 0 EDADMP Cc1ccc(C2CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC2)cn1 ZINC000361075059 152296175 /nfs/dbraw/zinc/29/61/75/152296175.db2.gz RMXIGSYGBDIHOD-UHFFFAOYSA-N 2 1 346.475 1.600 20 0 EDADMP Cc1ccc(C)c(OCC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000361123115 152312568 /nfs/dbraw/zinc/31/25/68/152312568.db2.gz MVADFHXBJPELIT-UHFFFAOYSA-N 2 1 348.487 1.841 20 0 EDADMP C[C@@H](CNC(=O)N1CCC([N@@H+](C)CCO)CC1)[NH+]1CCCC[C@@H]1C ZINC000361290209 152355362 /nfs/dbraw/zinc/35/53/62/152355362.db2.gz OTUIXVRUZHQIIC-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H](CNC(=O)N1CCC([NH+](C)CCO)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000361290209 152355365 /nfs/dbraw/zinc/35/53/65/152355365.db2.gz OTUIXVRUZHQIIC-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H](CNC(=O)N1CCC([NH+](C)CCO)CC1)[N@H+]1CCCC[C@@H]1C ZINC000361290209 152355367 /nfs/dbraw/zinc/35/53/67/152355367.db2.gz OTUIXVRUZHQIIC-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CCN1CC[NH+](CC)CC1 ZINC000361374652 152376400 /nfs/dbraw/zinc/37/64/00/152376400.db2.gz AGDWOFRAGZNIMA-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[NH+]1CCN(CC)CC1 ZINC000361374652 152376404 /nfs/dbraw/zinc/37/64/04/152376404.db2.gz AGDWOFRAGZNIMA-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CC[NH+]1CCN(CC)CC1 ZINC000361374652 152376407 /nfs/dbraw/zinc/37/64/07/152376407.db2.gz AGDWOFRAGZNIMA-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417158348 304379011 /nfs/dbraw/zinc/37/90/11/304379011.db2.gz BHGCZBVYVYFZPP-GFCCVEGCSA-N 2 1 340.418 1.836 20 0 EDADMP CCOC(=O)[C@H](CC(C)C)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363723685 153039636 /nfs/dbraw/zinc/03/96/36/153039636.db2.gz WXRARUGPYAWGLW-SJORKVTESA-N 2 1 325.497 1.676 20 0 EDADMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCC[NH+](CC(C)(C)O)CC2)C1 ZINC000363731181 153041162 /nfs/dbraw/zinc/04/11/62/153041162.db2.gz CYVSEIOSIATXCX-JKSUJKDBSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)C1 ZINC000363731181 153041164 /nfs/dbraw/zinc/04/11/64/153041164.db2.gz CYVSEIOSIATXCX-JKSUJKDBSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)C1 ZINC000363731181 153041167 /nfs/dbraw/zinc/04/11/67/153041167.db2.gz CYVSEIOSIATXCX-JKSUJKDBSA-N 2 1 340.512 1.203 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)C(C)(C)CN2CCn3ccnc3C2)CC1 ZINC000363993549 153117034 /nfs/dbraw/zinc/11/70/34/153117034.db2.gz DANRUUDPEXEWEV-UHFFFAOYSA-N 2 1 331.464 1.103 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)CC1 ZINC000363993549 153117037 /nfs/dbraw/zinc/11/70/37/153117037.db2.gz DANRUUDPEXEWEV-UHFFFAOYSA-N 2 1 331.464 1.103 20 0 EDADMP C[NH+]1CC=C(CNC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)CC1 ZINC000363993549 153117041 /nfs/dbraw/zinc/11/70/41/153117041.db2.gz DANRUUDPEXEWEV-UHFFFAOYSA-N 2 1 331.464 1.103 20 0 EDADMP C[NH+]1CC=C(CNC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)CC1 ZINC000363993549 153117043 /nfs/dbraw/zinc/11/70/43/153117043.db2.gz DANRUUDPEXEWEV-UHFFFAOYSA-N 2 1 331.464 1.103 20 0 EDADMP NCc1cc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)co1 ZINC000364565444 153272175 /nfs/dbraw/zinc/27/21/75/153272175.db2.gz ZOHBYWAEHCMQEU-QGZVFWFLSA-N 2 1 329.400 1.369 20 0 EDADMP C[N@@H+](Cc1cc(=O)n2ccsc2n1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364675801 153300821 /nfs/dbraw/zinc/30/08/21/153300821.db2.gz UUEAGJNNOFVGAW-GFCCVEGCSA-N 2 1 329.429 1.647 20 0 EDADMP C[N@H+](Cc1cc(=O)n2ccsc2n1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364675801 153300823 /nfs/dbraw/zinc/30/08/23/153300823.db2.gz UUEAGJNNOFVGAW-GFCCVEGCSA-N 2 1 329.429 1.647 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)Cc1ccccc1 ZINC000417227579 304385930 /nfs/dbraw/zinc/38/59/30/304385930.db2.gz CMCSDPCFUKNPDF-HDICACEKSA-N 2 1 330.476 1.759 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367149902 154023011 /nfs/dbraw/zinc/02/30/11/154023011.db2.gz ZXZSLVCADNMPJL-LJQANCHMSA-N 2 1 344.503 1.535 20 0 EDADMP C[C@H]1CCC[N@H+]1C1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000367274561 154063615 /nfs/dbraw/zinc/06/36/15/154063615.db2.gz NGZBPBKMJRJDNK-GJZGRUSLSA-N 2 1 329.510 1.217 20 0 EDADMP Cc1ccc2[nH]c3c(c2c1)CN(CCC(=O)N1CCN(C)CC1)CC3 ZINC000367297316 154069732 /nfs/dbraw/zinc/06/97/32/154069732.db2.gz AATHDZRESPZUCT-UHFFFAOYSA-N 2 1 340.471 1.999 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(c3noc(C4CC4)n3)CC2)CC1 ZINC000367306611 154073710 /nfs/dbraw/zinc/07/37/10/154073710.db2.gz YWMUBBZDYBJRER-UHFFFAOYSA-N 2 1 347.463 1.291 20 0 EDADMP Cc1cc(NC(=O)C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)n(C)n1 ZINC000367311723 154074973 /nfs/dbraw/zinc/07/49/73/154074973.db2.gz ZLKBFAGLPUKXFJ-OAHLLOKOSA-N 2 1 345.491 1.863 20 0 EDADMP Cc1cc(NC(=O)C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)n(C)n1 ZINC000367311723 154074976 /nfs/dbraw/zinc/07/49/76/154074976.db2.gz ZLKBFAGLPUKXFJ-OAHLLOKOSA-N 2 1 345.491 1.863 20 0 EDADMP COC(=O)CNC(=O)CC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000367483006 154143909 /nfs/dbraw/zinc/14/39/09/154143909.db2.gz JCLASRKGRGKBKC-VQIMIIECSA-N 2 1 347.459 1.338 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367588724 154190190 /nfs/dbraw/zinc/19/01/90/154190190.db2.gz NPAUENKKTOCIMH-BBWFWOEESA-N 2 1 337.489 1.557 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C[C@H]1CC ZINC000367747573 154253950 /nfs/dbraw/zinc/25/39/50/154253950.db2.gz UPLNZKCXEPVQQA-HUUCEWRRSA-N 2 1 349.479 1.409 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C[C@H]1CC ZINC000367747573 154253951 /nfs/dbraw/zinc/25/39/51/154253951.db2.gz UPLNZKCXEPVQQA-HUUCEWRRSA-N 2 1 349.479 1.409 20 0 EDADMP CCOCCN1CCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)C[C@H]1CC ZINC000367747573 154253953 /nfs/dbraw/zinc/25/39/53/154253953.db2.gz UPLNZKCXEPVQQA-HUUCEWRRSA-N 2 1 349.479 1.409 20 0 EDADMP CCOCCN1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C[C@H]1CC ZINC000367747573 154253957 /nfs/dbraw/zinc/25/39/57/154253957.db2.gz UPLNZKCXEPVQQA-HUUCEWRRSA-N 2 1 349.479 1.409 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc4nccn43)C2)CC1 ZINC000367746218 154254065 /nfs/dbraw/zinc/25/40/65/154254065.db2.gz FKWGAWQTENPWNC-QGZVFWFLSA-N 2 1 327.476 1.935 20 0 EDADMP CC(C)(CN1CCn2ccnc2C1)C(=O)N1CCN(CC2CC2)CC1 ZINC000367960576 154344030 /nfs/dbraw/zinc/34/40/30/154344030.db2.gz AIMNJRXRPCOSEX-UHFFFAOYSA-N 2 1 345.491 1.279 20 0 EDADMP O=C(CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)NCCOc1ccccc1 ZINC000369599057 155103801 /nfs/dbraw/zinc/10/38/01/155103801.db2.gz GRTHEPZZSWVKPP-QRQLOZEOSA-N 2 1 343.471 1.598 20 0 EDADMP O=C(CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)NCCOc1ccccc1 ZINC000369599056 155104025 /nfs/dbraw/zinc/10/40/25/155104025.db2.gz GRTHEPZZSWVKPP-NZSAHSFTSA-N 2 1 343.471 1.598 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000371569154 156008170 /nfs/dbraw/zinc/00/81/70/156008170.db2.gz DSQWGGDLXMTIGF-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371704359 156069484 /nfs/dbraw/zinc/06/94/84/156069484.db2.gz VNTMUBITRICLDJ-ZWKOTPCHSA-N 2 1 339.524 1.924 20 0 EDADMP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371704359 156069490 /nfs/dbraw/zinc/06/94/90/156069490.db2.gz VNTMUBITRICLDJ-ZWKOTPCHSA-N 2 1 339.524 1.924 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247335430 292335978 /nfs/dbraw/zinc/33/59/78/292335978.db2.gz XELRZGVYWBGALT-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247335430 292335981 /nfs/dbraw/zinc/33/59/81/292335981.db2.gz XELRZGVYWBGALT-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247335430 292335983 /nfs/dbraw/zinc/33/59/83/292335983.db2.gz XELRZGVYWBGALT-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC(c3c[nH]cn3)CC2)C[C@H](C)O1 ZINC000371905982 156160890 /nfs/dbraw/zinc/16/08/90/156160890.db2.gz MFKMGVVHZFHDAR-GASCZTMLSA-N 2 1 349.479 1.798 20 0 EDADMP C[C@@H]1CN(CCCNC(=O)N2CCC(c3c[nH]cn3)CC2)C[C@H](C)O1 ZINC000371905982 156160894 /nfs/dbraw/zinc/16/08/94/156160894.db2.gz MFKMGVVHZFHDAR-GASCZTMLSA-N 2 1 349.479 1.798 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC(c3cnc[nH]3)CC2)C[C@H](C)O1 ZINC000371905982 156160897 /nfs/dbraw/zinc/16/08/97/156160897.db2.gz MFKMGVVHZFHDAR-GASCZTMLSA-N 2 1 349.479 1.798 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC(c3cnc[nH]3)CC2)C[C@H](C)O1 ZINC000371905982 156160900 /nfs/dbraw/zinc/16/09/00/156160900.db2.gz MFKMGVVHZFHDAR-GASCZTMLSA-N 2 1 349.479 1.798 20 0 EDADMP C[N@@H+](CCC1CC1)CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000372175053 156255401 /nfs/dbraw/zinc/25/54/01/156255401.db2.gz DQBFKSJOYLOWPU-LJQANCHMSA-N 2 1 345.487 1.736 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000369756464 292352133 /nfs/dbraw/zinc/35/21/33/292352133.db2.gz GEDOQSRDSTYKIE-KRWDZBQOSA-N 2 1 325.497 1.822 20 0 EDADMP C[C@@H](O)COC(=O)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000373901813 157057150 /nfs/dbraw/zinc/05/71/50/157057150.db2.gz DCSDKSOCMQVNRQ-MRXNPFEDSA-N 2 1 334.460 1.897 20 0 EDADMP C[C@@H](O)COC(=O)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000373901813 157057152 /nfs/dbraw/zinc/05/71/52/157057152.db2.gz DCSDKSOCMQVNRQ-MRXNPFEDSA-N 2 1 334.460 1.897 20 0 EDADMP CCC[NH+]1CCC(N2CC[NH+](C[C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC000374150211 157166972 /nfs/dbraw/zinc/16/69/72/157166972.db2.gz DREGSURXFARFNF-OAHLLOKOSA-N 2 1 337.430 1.792 20 0 EDADMP COCCCNC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374299173 157230447 /nfs/dbraw/zinc/23/04/47/157230447.db2.gz YBMZYPXBAOXDKB-CVEARBPZSA-N 2 1 337.508 1.724 20 0 EDADMP CC1=C(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCCO1 ZINC000374331442 157247602 /nfs/dbraw/zinc/24/76/02/157247602.db2.gz LBZWZIZUDSIORG-SJPCQFCGSA-N 2 1 333.476 1.840 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000374384114 157270042 /nfs/dbraw/zinc/27/00/42/157270042.db2.gz HAFSVKHAOIYFQH-QGZVFWFLSA-N 2 1 334.464 1.589 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000374384114 157270045 /nfs/dbraw/zinc/27/00/45/157270045.db2.gz HAFSVKHAOIYFQH-QGZVFWFLSA-N 2 1 334.464 1.589 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)CC[N@H+]1C ZINC000377935609 158033470 /nfs/dbraw/zinc/03/34/70/158033470.db2.gz BIFYTRYNRGMCRK-NBOOPKSLSA-N 2 1 347.507 1.650 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CC[NH+]1C ZINC000377935609 158033471 /nfs/dbraw/zinc/03/34/71/158033471.db2.gz BIFYTRYNRGMCRK-NBOOPKSLSA-N 2 1 347.507 1.650 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)CC[NH+]1C ZINC000377935609 158033474 /nfs/dbraw/zinc/03/34/74/158033474.db2.gz BIFYTRYNRGMCRK-NBOOPKSLSA-N 2 1 347.507 1.650 20 0 EDADMP C[C@@H]1C[C@H](NCc2nnc3n2C[C@H](C(F)(F)F)CC3)CC[N@H+]1C ZINC000378181876 158102608 /nfs/dbraw/zinc/10/26/08/158102608.db2.gz FMQXMVMILQXKLY-IJLUTSLNSA-N 2 1 331.386 1.975 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000378200727 158106658 /nfs/dbraw/zinc/10/66/58/158106658.db2.gz MGJZYAJBWLAPKT-MSOLQXFVSA-N 2 1 330.476 1.315 20 0 EDADMP O=C(NCCCC[NH+]1CCCC1)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000378310536 158135492 /nfs/dbraw/zinc/13/54/92/158135492.db2.gz JYWZSZKLBLWNIO-SJORKVTESA-N 2 1 338.496 1.415 20 0 EDADMP O=C(NCCCC[NH+]1CCCC1)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000378310536 158135495 /nfs/dbraw/zinc/13/54/95/158135495.db2.gz JYWZSZKLBLWNIO-SJORKVTESA-N 2 1 338.496 1.415 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000378422083 158168923 /nfs/dbraw/zinc/16/89/23/158168923.db2.gz AQZUXZLZDXEOFI-GOEBONIOSA-N 2 1 335.496 1.528 20 0 EDADMP CC(C)[N@@H+]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000352225755 162061181 /nfs/dbraw/zinc/06/11/81/162061181.db2.gz OGWFWZZZEOIICF-UHFFFAOYSA-N 2 1 345.491 1.390 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000352225755 162061184 /nfs/dbraw/zinc/06/11/84/162061184.db2.gz OGWFWZZZEOIICF-UHFFFAOYSA-N 2 1 345.491 1.390 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000352431433 162177110 /nfs/dbraw/zinc/17/71/10/162177110.db2.gz LJTBFKZQFHSZQP-GOSISDBHSA-N 2 1 336.524 1.395 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000073596307 287261706 /nfs/dbraw/zinc/26/17/06/287261706.db2.gz RTGUCJFXNRTQSL-IRXDYDNUSA-N 2 1 339.528 1.042 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000073596307 287261708 /nfs/dbraw/zinc/26/17/08/287261708.db2.gz RTGUCJFXNRTQSL-IRXDYDNUSA-N 2 1 339.528 1.042 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000073596307 287261710 /nfs/dbraw/zinc/26/17/10/287261710.db2.gz RTGUCJFXNRTQSL-IRXDYDNUSA-N 2 1 339.528 1.042 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCC[NH+]1CCCC1 ZINC000081234399 287311930 /nfs/dbraw/zinc/31/19/30/287311930.db2.gz KJJHPXPVIZEIHG-GOSISDBHSA-N 2 1 331.460 1.490 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[NH+]1CCCC1 ZINC000081234399 287311934 /nfs/dbraw/zinc/31/19/34/287311934.db2.gz KJJHPXPVIZEIHG-GOSISDBHSA-N 2 1 331.460 1.490 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3C)cc2F)CC1 ZINC000194651273 273004561 /nfs/dbraw/zinc/00/45/61/273004561.db2.gz ULPZWVUVADEEGT-MRXNPFEDSA-N 2 1 348.466 1.792 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@H+]3C)cc2F)CC1 ZINC000194651273 273004562 /nfs/dbraw/zinc/00/45/62/273004562.db2.gz ULPZWVUVADEEGT-MRXNPFEDSA-N 2 1 348.466 1.792 20 0 EDADMP C[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC1 ZINC000273004862 273024646 /nfs/dbraw/zinc/02/46/46/273024646.db2.gz PZUOTFXQJNUEBS-SFHVURJKSA-N 2 1 346.475 1.100 20 0 EDADMP C[NH+]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000273004862 273024647 /nfs/dbraw/zinc/02/46/47/273024647.db2.gz PZUOTFXQJNUEBS-SFHVURJKSA-N 2 1 346.475 1.100 20 0 EDADMP C[NH+]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000273004862 273024648 /nfs/dbraw/zinc/02/46/48/273024648.db2.gz PZUOTFXQJNUEBS-SFHVURJKSA-N 2 1 346.475 1.100 20 0 EDADMP C[N@@H+](CCCCCO)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000279771459 273325923 /nfs/dbraw/zinc/32/59/23/273325923.db2.gz SVGSMVUUXTUPHD-UHFFFAOYSA-N 2 1 347.503 1.993 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000418194233 274036405 /nfs/dbraw/zinc/03/64/05/274036405.db2.gz OTTUSVZAYXQHKO-NVXWUHKLSA-N 2 1 334.464 1.185 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)Cc1ccccc1 ZINC000284536144 274237060 /nfs/dbraw/zinc/23/70/60/274237060.db2.gz DRWPNHDAFFXLJN-NXHRZFHOSA-N 2 1 333.476 1.433 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370149212 274350128 /nfs/dbraw/zinc/35/01/28/274350128.db2.gz NNYSMXQJMPOODK-AYOQOUSVSA-N 2 1 335.467 1.817 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370149212 274350129 /nfs/dbraw/zinc/35/01/29/274350129.db2.gz NNYSMXQJMPOODK-AYOQOUSVSA-N 2 1 335.467 1.817 20 0 EDADMP CCC[C@@H](O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450647576 276026301 /nfs/dbraw/zinc/02/63/01/276026301.db2.gz IWHUSQRMDJKBGL-IXDOHACOSA-N 2 1 328.497 1.738 20 0 EDADMP CCC[C@@H](O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450647576 276026302 /nfs/dbraw/zinc/02/63/02/276026302.db2.gz IWHUSQRMDJKBGL-IXDOHACOSA-N 2 1 328.497 1.738 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)c1cccn1C ZINC000352824626 276377693 /nfs/dbraw/zinc/37/76/93/276377693.db2.gz ABMJOHNXMNQCMK-HNNXBMFYSA-N 2 1 334.464 1.082 20 0 EDADMP COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000363532387 277062222 /nfs/dbraw/zinc/06/22/22/277062222.db2.gz JFOXNWWHORVVJF-JKSUJKDBSA-N 2 1 339.480 1.252 20 0 EDADMP COC(=O)CNC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000363532387 277062224 /nfs/dbraw/zinc/06/22/24/277062224.db2.gz JFOXNWWHORVVJF-JKSUJKDBSA-N 2 1 339.480 1.252 20 0 EDADMP COC(=O)CNC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000363532387 277062225 /nfs/dbraw/zinc/06/22/25/277062225.db2.gz JFOXNWWHORVVJF-JKSUJKDBSA-N 2 1 339.480 1.252 20 0 EDADMP COC(=O)N1CCC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000493495856 277070980 /nfs/dbraw/zinc/07/09/80/277070980.db2.gz DNGVDMMUFCKWCD-UHFFFAOYSA-N 2 1 339.480 1.842 20 0 EDADMP CC(C)(CNC(=O)NC[C@H]([NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000417089474 277301027 /nfs/dbraw/zinc/30/10/27/277301027.db2.gz PITJVSCBUHBYIZ-KRWDZBQOSA-N 2 1 330.476 1.860 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C[C@H]1[NH+](C)C ZINC000266181587 287959988 /nfs/dbraw/zinc/95/99/88/287959988.db2.gz LWAWHHHEWNMTIF-ATZDWAIDSA-N 2 1 345.487 1.593 20 0 EDADMP C[C@@H](C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCSCC1 ZINC000442661126 277552114 /nfs/dbraw/zinc/55/21/14/277552114.db2.gz TXKNLNSPVSHPNF-OAGGEKHMSA-N 2 1 343.537 1.429 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccnc1C ZINC000286504329 288021863 /nfs/dbraw/zinc/02/18/63/288021863.db2.gz RLUMBLXCEPGLAV-GOSISDBHSA-N 2 1 332.492 1.807 20 0 EDADMP C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000422711347 278358985 /nfs/dbraw/zinc/35/89/85/278358985.db2.gz FVJMFTXYLWYSMJ-KGLIPLIRSA-N 2 1 339.505 1.851 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000371839232 279311187 /nfs/dbraw/zinc/31/11/87/279311187.db2.gz REFPUUWWHSXNCA-GVDBMIGSSA-N 2 1 338.496 1.271 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000373266744 279332579 /nfs/dbraw/zinc/33/25/79/279332579.db2.gz YZFTWRPIWKKQSJ-RDJZCZTQSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000373266744 279332580 /nfs/dbraw/zinc/33/25/80/279332580.db2.gz YZFTWRPIWKKQSJ-RDJZCZTQSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000373266744 279332582 /nfs/dbraw/zinc/33/25/82/279332582.db2.gz YZFTWRPIWKKQSJ-RDJZCZTQSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415977836 279358858 /nfs/dbraw/zinc/35/88/58/279358858.db2.gz YWKULIUHJOWHFE-INIZCTEOSA-N 2 1 347.507 1.801 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000358167129 279365183 /nfs/dbraw/zinc/36/51/83/279365183.db2.gz PWWAQPIUEVKBGO-PMPSAXMXSA-N 2 1 326.485 1.220 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000358167129 279365185 /nfs/dbraw/zinc/36/51/85/279365185.db2.gz PWWAQPIUEVKBGO-PMPSAXMXSA-N 2 1 326.485 1.220 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000358167114 279365451 /nfs/dbraw/zinc/36/54/51/279365451.db2.gz PWWAQPIUEVKBGO-OAGGEKHMSA-N 2 1 326.485 1.220 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000358167114 279365456 /nfs/dbraw/zinc/36/54/56/279365456.db2.gz PWWAQPIUEVKBGO-OAGGEKHMSA-N 2 1 326.485 1.220 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357575393 279765340 /nfs/dbraw/zinc/76/53/40/279765340.db2.gz WQLFZFQBSQMMCS-NCOADZHNSA-N 2 1 325.497 1.673 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000133579607 280010165 /nfs/dbraw/zinc/01/01/65/280010165.db2.gz YOBJCFPJSFOHRG-DLBZAZTESA-N 2 1 332.496 1.061 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000247450456 288212514 /nfs/dbraw/zinc/21/25/14/288212514.db2.gz ZFFSNZCNPSHACU-DAYGRLMNSA-N 2 1 331.460 1.730 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000247450456 288212515 /nfs/dbraw/zinc/21/25/15/288212515.db2.gz ZFFSNZCNPSHACU-DAYGRLMNSA-N 2 1 331.460 1.730 20 0 EDADMP CN(C[C@](C)(O)C[N@H+]1CC[C@H](C[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000496174567 289213826 /nfs/dbraw/zinc/21/38/26/289213826.db2.gz XHXGZYNRFBJAHG-PBHICJAKSA-N 2 1 329.485 1.488 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292037604 289245730 /nfs/dbraw/zinc/24/57/30/289245730.db2.gz ABQGTYWERJYHGH-KRWDZBQOSA-N 2 1 332.473 1.635 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292037604 289245734 /nfs/dbraw/zinc/24/57/34/289245734.db2.gz ABQGTYWERJYHGH-KRWDZBQOSA-N 2 1 332.473 1.635 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292037604 289245737 /nfs/dbraw/zinc/24/57/37/289245737.db2.gz ABQGTYWERJYHGH-KRWDZBQOSA-N 2 1 332.473 1.635 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000292058256 289251813 /nfs/dbraw/zinc/25/18/13/289251813.db2.gz JWTAMJXSJLGOOL-MRXNPFEDSA-N 2 1 332.492 1.681 20 0 EDADMP CN(C)S(=O)(=O)c1cccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292262958 289301092 /nfs/dbraw/zinc/30/10/92/289301092.db2.gz YWIPDOPTELGYBR-QGZVFWFLSA-N 2 1 337.489 1.465 20 0 EDADMP C[NH+](C)[C@H](C(=O)NCC1(O)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000354704305 289348413 /nfs/dbraw/zinc/34/84/13/289348413.db2.gz DUBQQCRPXOTUHP-HNNXBMFYSA-N 2 1 339.867 1.516 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000423785305 290243512 /nfs/dbraw/zinc/24/35/12/290243512.db2.gz RMHFMPNVWQLDKG-MOPGFXCFSA-N 2 1 327.472 1.931 20 0 EDADMP COc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262035045 295096331 /nfs/dbraw/zinc/09/63/31/295096331.db2.gz XWPFFRDCEJRAAX-RCCFBDPRSA-N 2 1 347.459 1.172 20 0 EDADMP [NH3+]C1(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)Cc2ccccc2C1 ZINC000370770624 295202302 /nfs/dbraw/zinc/20/23/02/295202302.db2.gz DQMIXTXJAUIBDX-RCCFBDPRSA-N 2 1 325.456 1.425 20 0 EDADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c2ccccc21 ZINC000333244159 295325761 /nfs/dbraw/zinc/32/57/61/295325761.db2.gz FKDFDCYWOSQTDE-JLZZUVOBSA-N 2 1 335.473 1.677 20 0 EDADMP Cn1cc([C@H]2[C@@H](CNC(=O)NC3CC[NH+](C)CC3)CCC[N@H+]2C)cn1 ZINC000377713063 447309855 /nfs/dbraw/zinc/30/98/55/447309855.db2.gz RPVZCHWAHOUQFW-RHSMWYFYSA-N 2 1 348.495 1.196 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)[NH+]2CCCC2)o1 ZINC000372842354 447311825 /nfs/dbraw/zinc/31/18/25/447311825.db2.gz OYOLYVGZMSZRRS-SJORKVTESA-N 2 1 346.475 1.231 20 0 EDADMP CN(CC[N@@H+](C)C[C@@H](O)Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000293832240 303025993 /nfs/dbraw/zinc/02/59/93/303025993.db2.gz PUMOOLQDCRFCHY-IBGZPJMESA-N 2 1 337.483 1.687 20 0 EDADMP Cc1nc(N2CCOCC2)ccc1NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000294192926 303075670 /nfs/dbraw/zinc/07/56/70/303075670.db2.gz KRFKVTWSQQFMEX-OKILXGFUSA-N 2 1 347.463 1.783 20 0 EDADMP Cc1nc(N2CCOCC2)ccc1NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000294192926 303075672 /nfs/dbraw/zinc/07/56/72/303075672.db2.gz KRFKVTWSQQFMEX-OKILXGFUSA-N 2 1 347.463 1.783 20 0 EDADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CCCO1 ZINC000294663149 303134227 /nfs/dbraw/zinc/13/42/27/303134227.db2.gz LPYFZKRKWCERRV-CQSZACIVSA-N 2 1 333.432 1.608 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CCCO1 ZINC000294663149 303134228 /nfs/dbraw/zinc/13/42/28/303134228.db2.gz LPYFZKRKWCERRV-CQSZACIVSA-N 2 1 333.432 1.608 20 0 EDADMP C[C@H]([NH2+]CCN1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294737959 303141067 /nfs/dbraw/zinc/14/10/67/303141067.db2.gz CBHPNRPJTOOSKU-HKUYNNGSSA-N 2 1 331.504 1.943 20 0 EDADMP C[C@H](NCC[NH+]1CCC(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294737959 303141068 /nfs/dbraw/zinc/14/10/68/303141068.db2.gz CBHPNRPJTOOSKU-HKUYNNGSSA-N 2 1 331.504 1.943 20 0 EDADMP C[C@H](NCC[NH+]1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294737959 303141069 /nfs/dbraw/zinc/14/10/69/303141069.db2.gz CBHPNRPJTOOSKU-HKUYNNGSSA-N 2 1 331.504 1.943 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000296532355 303322669 /nfs/dbraw/zinc/32/26/69/303322669.db2.gz SQZDMZATCVWZTB-INIZCTEOSA-N 2 1 344.503 1.581 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](CCOC)C2)[C@H](C)C1 ZINC000448524689 447327466 /nfs/dbraw/zinc/32/74/66/447327466.db2.gz KITODJSRFCIKGK-OAGGEKHMSA-N 2 1 326.485 1.079 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)[C@H](C)C1 ZINC000448524689 447327472 /nfs/dbraw/zinc/32/74/72/447327472.db2.gz KITODJSRFCIKGK-OAGGEKHMSA-N 2 1 326.485 1.079 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)[C@H](C)C1 ZINC000448524689 447327476 /nfs/dbraw/zinc/32/74/76/447327476.db2.gz KITODJSRFCIKGK-OAGGEKHMSA-N 2 1 326.485 1.079 20 0 EDADMP Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cn2ccnc12 ZINC000296976892 303350784 /nfs/dbraw/zinc/35/07/84/303350784.db2.gz NRRLNSJZHKAGQA-HNNXBMFYSA-N 2 1 343.431 1.829 20 0 EDADMP COC(=O)c1cn(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)nn1 ZINC000423108965 304886478 /nfs/dbraw/zinc/88/64/78/304886478.db2.gz RYWRKQWMODCSJW-CABCVRRESA-N 2 1 329.404 1.148 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC2)nc(C)[nH+]1 ZINC000423425015 304895468 /nfs/dbraw/zinc/89/54/68/304895468.db2.gz GHAQMOUIQUPAHM-SUMWQHHRSA-N 2 1 333.480 1.798 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)CC[C@H](C)[NH3+])cc2)CC1 ZINC000423851010 304912198 /nfs/dbraw/zinc/91/21/98/304912198.db2.gz UAXSAIFIYZEWPB-AWEZNQCLSA-N 2 1 332.448 1.417 20 0 EDADMP [NH3+]C1(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CCN(Cc2ccccc2)CC1 ZINC000424017005 304925387 /nfs/dbraw/zinc/92/53/87/304925387.db2.gz FFLTWKCWGZVOKO-PKOBYXMFSA-N 2 1 342.487 1.096 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)[C@@H]1n1cccn1 ZINC000425896199 304976352 /nfs/dbraw/zinc/97/63/52/304976352.db2.gz NSNHYNKVSBRDEW-KSZLIROESA-N 2 1 345.447 1.846 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000430608840 305058534 /nfs/dbraw/zinc/05/85/34/305058534.db2.gz GHPUHVRMNYDJTR-IEBWSBKVSA-N 2 1 344.503 1.533 20 0 EDADMP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430620240 305059638 /nfs/dbraw/zinc/05/96/38/305059638.db2.gz AUSZIVQPQMZQQF-OAHLLOKOSA-N 2 1 337.439 1.724 20 0 EDADMP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430620240 305059639 /nfs/dbraw/zinc/05/96/39/305059639.db2.gz AUSZIVQPQMZQQF-OAHLLOKOSA-N 2 1 337.439 1.724 20 0 EDADMP CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000430630334 305060186 /nfs/dbraw/zinc/06/01/86/305060186.db2.gz YGRYKCUWNTYBGF-UHFFFAOYSA-N 2 1 346.475 1.778 20 0 EDADMP CC[N@@H+](CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000433083053 305099860 /nfs/dbraw/zinc/09/98/60/305099860.db2.gz MNDXEPNRDIUCQH-UHFFFAOYSA-N 2 1 325.478 1.511 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC2CC[NH+](C)CC2)CCCO1 ZINC000433327327 305106017 /nfs/dbraw/zinc/10/60/17/305106017.db2.gz RSNJYYFETFVNFX-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433387268 305107556 /nfs/dbraw/zinc/10/75/56/305107556.db2.gz GESXUYFQVBHBCB-LSDHHAIUSA-N 2 1 334.468 1.053 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000433945173 305115552 /nfs/dbraw/zinc/11/55/52/305115552.db2.gz CLXDWCQLMWHCJV-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000433945173 305115553 /nfs/dbraw/zinc/11/55/53/305115553.db2.gz CLXDWCQLMWHCJV-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OCC(=O)NCC1CC1 ZINC000435374161 305139419 /nfs/dbraw/zinc/13/94/19/305139419.db2.gz HNXGHPCADQFDLX-GDBMZVCRSA-N 2 1 331.460 1.761 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)n1C ZINC000435551022 305142204 /nfs/dbraw/zinc/14/22/04/305142204.db2.gz JBELRJRXAAFSQT-UHFFFAOYSA-N 2 1 336.484 1.548 20 0 EDADMP CC[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)[C@H]1CCC[NH2+]CC1 ZINC000435620051 305143693 /nfs/dbraw/zinc/14/36/93/305143693.db2.gz YWGWRXLVFUSCFQ-IRXDYDNUSA-N 2 1 331.460 1.570 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)[C@H]1CCC[NH2+]CC1 ZINC000435620051 305143694 /nfs/dbraw/zinc/14/36/94/305143694.db2.gz YWGWRXLVFUSCFQ-IRXDYDNUSA-N 2 1 331.460 1.570 20 0 EDADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436052488 305151345 /nfs/dbraw/zinc/15/13/45/305151345.db2.gz LXHJRLWTJHCLJB-BZUAXINKSA-N 2 1 338.496 1.095 20 0 EDADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436052488 305151346 /nfs/dbraw/zinc/15/13/46/305151346.db2.gz LXHJRLWTJHCLJB-BZUAXINKSA-N 2 1 338.496 1.095 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000436053818 305151491 /nfs/dbraw/zinc/15/14/91/305151491.db2.gz QQDDICWCVXEKOO-INIZCTEOSA-N 2 1 332.448 1.335 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CCCCCC1 ZINC000436059073 305151568 /nfs/dbraw/zinc/15/15/68/305151568.db2.gz MSOPAQLHUYPMSO-INIZCTEOSA-N 2 1 338.496 1.145 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC1CCCCCC1 ZINC000436059073 305151569 /nfs/dbraw/zinc/15/15/69/305151569.db2.gz MSOPAQLHUYPMSO-INIZCTEOSA-N 2 1 338.496 1.145 20 0 EDADMP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000442261876 305227536 /nfs/dbraw/zinc/22/75/36/305227536.db2.gz GFAVLGQBWKIGGA-KBPBESRZSA-N 2 1 341.415 1.362 20 0 EDADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000442261876 305227537 /nfs/dbraw/zinc/22/75/37/305227537.db2.gz GFAVLGQBWKIGGA-KBPBESRZSA-N 2 1 341.415 1.362 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)CC2 ZINC000442758767 305229660 /nfs/dbraw/zinc/22/96/60/305229660.db2.gz JIXCAHWXZVKZQO-ZIAGYGMSSA-N 2 1 347.459 1.258 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)CC2 ZINC000442758767 305229661 /nfs/dbraw/zinc/22/96/61/305229661.db2.gz JIXCAHWXZVKZQO-ZIAGYGMSSA-N 2 1 347.459 1.258 20 0 EDADMP CC[NH+](CC)CCSCC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442893324 305230644 /nfs/dbraw/zinc/23/06/44/305230644.db2.gz GEDVYPGJFGZBOA-UHFFFAOYSA-N 2 1 344.569 1.204 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000447302749 305277473 /nfs/dbraw/zinc/27/74/73/305277473.db2.gz FYNUIGHQLIUSEY-LISAXSMJSA-N 2 1 328.497 1.641 20 0 EDADMP CC[NH+]1C[C@@H](C)N(C[C@H](O)CN2C[C@H](C)[N@@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316134 305278124 /nfs/dbraw/zinc/27/81/24/305278124.db2.gz WECARWZHNXHBFB-LTFXXXRZSA-N 2 1 340.556 1.176 20 0 EDADMP CC[NH+]1C[C@H](C)N(C[C@@H](O)CN2C[C@H](C)[N@H+](CC)C[C@H]2C)C[C@@H]1C ZINC000447316134 305278125 /nfs/dbraw/zinc/27/81/25/305278125.db2.gz WECARWZHNXHBFB-LTFXXXRZSA-N 2 1 340.556 1.176 20 0 EDADMP CC[NH+]1C[C@H](C)N(C[C@@H](O)CN2C[C@H](C)[N@@H+](CC)C[C@H]2C)C[C@@H]1C ZINC000447316134 305278126 /nfs/dbraw/zinc/27/81/26/305278126.db2.gz WECARWZHNXHBFB-LTFXXXRZSA-N 2 1 340.556 1.176 20 0 EDADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000449243468 305309532 /nfs/dbraw/zinc/30/95/32/305309532.db2.gz KZSCHZZGKAGNNP-YLJYHZDGSA-N 2 1 331.504 1.738 20 0 EDADMP COc1cc(-c2noc(C[NH+]3CCC(C[NH+](C)C)CC3)n2)ncn1 ZINC000450266469 305328946 /nfs/dbraw/zinc/32/89/46/305328946.db2.gz QYIGPVHFRXDCDD-UHFFFAOYSA-N 2 1 332.408 1.309 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000452342585 305390134 /nfs/dbraw/zinc/39/01/34/305390134.db2.gz IEDNZJCQCDVDON-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@@H+]1CCc2ccccc2C1 ZINC000452349963 305391476 /nfs/dbraw/zinc/39/14/76/305391476.db2.gz NQQQACVHXJBHGQ-APWZRJJASA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@H+]1CCc2ccccc2C1 ZINC000452349963 305391477 /nfs/dbraw/zinc/39/14/77/305391477.db2.gz NQQQACVHXJBHGQ-APWZRJJASA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+]1CCc2ccccc2C1 ZINC000452349963 305391478 /nfs/dbraw/zinc/39/14/78/305391478.db2.gz NQQQACVHXJBHGQ-APWZRJJASA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+]1CCc2ccccc2C1 ZINC000452349963 305391479 /nfs/dbraw/zinc/39/14/79/305391479.db2.gz NQQQACVHXJBHGQ-APWZRJJASA-N 2 1 345.487 1.396 20 0 EDADMP COc1cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)ccc1C ZINC000516488500 305737708 /nfs/dbraw/zinc/73/77/08/305737708.db2.gz SVHJEDCPSBMTNA-UHFFFAOYSA-N 2 1 334.460 1.663 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000449021828 447359592 /nfs/dbraw/zinc/35/95/92/447359592.db2.gz VPBDFPMYTGVIQN-HUUCEWRRSA-N 2 1 335.496 1.928 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)NCC[NH+]2CCSCC2)C[C@H]1c1ccccc1 ZINC000518139426 305758949 /nfs/dbraw/zinc/75/89/49/305758949.db2.gz JJQHVCDMGSJRIH-JKSUJKDBSA-N 2 1 334.489 1.172 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)[C@H]([NH3+])C2CCC2)c2cccs2)CC1 ZINC000519391889 305767959 /nfs/dbraw/zinc/76/79/59/305767959.db2.gz NZVVPPRNWSAEMY-GDBMZVCRSA-N 2 1 336.505 1.280 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000458435460 447365450 /nfs/dbraw/zinc/36/54/50/447365450.db2.gz YVURIVUGQOBDFG-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000544585988 306076862 /nfs/dbraw/zinc/07/68/62/306076862.db2.gz FCOFCMRBVBYUCU-QGZVFWFLSA-N 2 1 347.503 1.908 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000544585988 306076863 /nfs/dbraw/zinc/07/68/63/306076863.db2.gz FCOFCMRBVBYUCU-QGZVFWFLSA-N 2 1 347.503 1.908 20 0 EDADMP CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000551903654 306167281 /nfs/dbraw/zinc/16/72/81/306167281.db2.gz MAOSGWRXLPKPTC-SFHVURJKSA-N 2 1 330.476 1.848 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000553163227 306183174 /nfs/dbraw/zinc/18/31/74/306183174.db2.gz JVRCUQBJNHCAOP-OAHLLOKOSA-N 2 1 332.448 1.077 20 0 EDADMP C[NH+](C)C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000556849987 306219879 /nfs/dbraw/zinc/21/98/79/306219879.db2.gz NNVVDSBKAKXXJL-GDBMZVCRSA-N 2 1 339.867 1.432 20 0 EDADMP C[NH+](C)C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000556849987 306219880 /nfs/dbraw/zinc/21/98/80/306219880.db2.gz NNVVDSBKAKXXJL-GDBMZVCRSA-N 2 1 339.867 1.432 20 0 EDADMP CC[C@@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)[N@@H+](C)Cc1ccccc1 ZINC000556850956 306220154 /nfs/dbraw/zinc/22/01/54/306220154.db2.gz XFXWJPFQXXMSNM-AZUAARDMSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C[C@H](C)O1 ZINC000557137680 306224787 /nfs/dbraw/zinc/22/47/87/306224787.db2.gz AGMXLRWOHXVNQQ-XQQFMLRXSA-N 2 1 348.438 1.171 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)cn2)CC1 ZINC000449454168 447373172 /nfs/dbraw/zinc/37/31/72/447373172.db2.gz YKZHOVSVFPVBMT-RMJJICAUSA-N 2 1 339.487 1.872 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)cn2)CC1 ZINC000449454168 447373178 /nfs/dbraw/zinc/37/31/78/447373178.db2.gz YKZHOVSVFPVBMT-RMJJICAUSA-N 2 1 339.487 1.872 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N(C)C[C@H]2CCC[NH+]2C)CCCO1 ZINC000422207838 447403432 /nfs/dbraw/zinc/40/34/32/447403432.db2.gz QPYCHPCKYDHDFM-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)CCCO1 ZINC000422207838 447403437 /nfs/dbraw/zinc/40/34/37/447403437.db2.gz QPYCHPCKYDHDFM-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CCC[N@H+]2C)CCCO1 ZINC000422207838 447403444 /nfs/dbraw/zinc/40/34/44/447403444.db2.gz QPYCHPCKYDHDFM-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP Cc1nc2ccccc2n1CCC(=O)NCCN1CCC(O)CC1 ZINC000456578487 447417048 /nfs/dbraw/zinc/41/70/48/447417048.db2.gz FDCRLWYLOKYOOQ-UHFFFAOYSA-N 2 1 330.432 1.308 20 0 EDADMP CC(C)C[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000045751565 441029989 /nfs/dbraw/zinc/02/99/89/441029989.db2.gz SOPNRNUZVNLYJG-KRWDZBQOSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000045751565 441029990 /nfs/dbraw/zinc/02/99/90/441029990.db2.gz SOPNRNUZVNLYJG-KRWDZBQOSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000045751565 441029994 /nfs/dbraw/zinc/02/99/94/441029994.db2.gz SOPNRNUZVNLYJG-KRWDZBQOSA-N 2 1 325.497 1.580 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000046227561 441093603 /nfs/dbraw/zinc/09/36/03/441093603.db2.gz HCXCVHVBUZMIER-UHFFFAOYSA-N 2 1 347.463 1.034 20 0 EDADMP C[C@@H](C(=O)N1CC[NH+]([C@H]2CCSC2)CC1)[NH+]1CCCCCC1 ZINC000080596498 441181784 /nfs/dbraw/zinc/18/17/84/441181784.db2.gz IFLQGORKJWBQSI-HOTGVXAUSA-N 2 1 325.522 1.901 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105147335 441238213 /nfs/dbraw/zinc/23/82/13/441238213.db2.gz NCBPCNJYTSCGKS-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CC1CCC([NH+]2CCC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000081305893 441252708 /nfs/dbraw/zinc/25/27/08/441252708.db2.gz SASHXDAFDCGJHN-VJFUWPCTSA-N 2 1 337.508 1.819 20 0 EDADMP CC1CCC([NH+]2CCC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000081305893 441252711 /nfs/dbraw/zinc/25/27/11/441252711.db2.gz SASHXDAFDCGJHN-VJFUWPCTSA-N 2 1 337.508 1.819 20 0 EDADMP C[NH+](C)C(C)(C)CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000072812345 441261912 /nfs/dbraw/zinc/26/19/12/441261912.db2.gz KIJYVLABSSRIJM-KRWDZBQOSA-N 2 1 333.476 1.734 20 0 EDADMP C[NH+](C)C(C)(C)CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000072812345 441261914 /nfs/dbraw/zinc/26/19/14/441261914.db2.gz KIJYVLABSSRIJM-KRWDZBQOSA-N 2 1 333.476 1.734 20 0 EDADMP Cn1cc[nH+]c1CC1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000105876455 441303737 /nfs/dbraw/zinc/30/37/37/441303737.db2.gz SBZVPMCLZUPGMR-UHFFFAOYSA-N 2 1 333.436 1.005 20 0 EDADMP CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876269 441304218 /nfs/dbraw/zinc/30/42/18/441304218.db2.gz QWTQEWQECYUEFE-OAHLLOKOSA-N 2 1 336.480 1.606 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000084365239 441394541 /nfs/dbraw/zinc/39/45/41/441394541.db2.gz RZSFCIYBDOJGNE-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000084365239 441394545 /nfs/dbraw/zinc/39/45/45/441394545.db2.gz RZSFCIYBDOJGNE-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NCCC[NH2+]C2CCCCC2)n1C ZINC000083738020 441372844 /nfs/dbraw/zinc/37/28/44/441372844.db2.gz NQELVYRZKXNDTB-UHFFFAOYSA-N 2 1 336.484 1.598 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000074616281 441450671 /nfs/dbraw/zinc/45/06/71/441450671.db2.gz HIBJDACCWOPLNU-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC000066483607 441537663 /nfs/dbraw/zinc/53/76/63/441537663.db2.gz POPRYMHWAOPMHY-FGTMMUONSA-N 2 1 341.540 1.510 20 0 EDADMP C[NH+]1CCN(CC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000111607063 441539134 /nfs/dbraw/zinc/53/91/34/441539134.db2.gz RQRAMKKZMRFXCP-SFHVURJKSA-N 2 1 336.524 1.348 20 0 EDADMP O=C(C[N@H+](CCO)CCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000112698600 441554347 /nfs/dbraw/zinc/55/43/47/441554347.db2.gz RCHYYLLQAZXXHJ-UHFFFAOYSA-N 2 1 345.487 1.266 20 0 EDADMP O=C(C[N@@H+](CCO)CCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000112698600 441554354 /nfs/dbraw/zinc/55/43/54/441554354.db2.gz RCHYYLLQAZXXHJ-UHFFFAOYSA-N 2 1 345.487 1.266 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCNC(=O)C1CCC1 ZINC000090186153 441625615 /nfs/dbraw/zinc/62/56/15/441625615.db2.gz BDWCLHOFMJZCAE-NJAFHUGGSA-N 2 1 337.508 1.772 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000114076453 441634129 /nfs/dbraw/zinc/63/41/29/441634129.db2.gz QHWBXPPNFUEAPU-KRWDZBQOSA-N 2 1 344.459 1.545 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000114076453 441634133 /nfs/dbraw/zinc/63/41/33/441634133.db2.gz QHWBXPPNFUEAPU-KRWDZBQOSA-N 2 1 344.459 1.545 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000114455469 441658112 /nfs/dbraw/zinc/65/81/12/441658112.db2.gz INRVRDCNSAMHGY-HNNXBMFYSA-N 2 1 333.480 1.578 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000114455469 441658115 /nfs/dbraw/zinc/65/81/15/441658115.db2.gz INRVRDCNSAMHGY-HNNXBMFYSA-N 2 1 333.480 1.578 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCOC[C@@H]1CCOC1 ZINC000158279274 441716429 /nfs/dbraw/zinc/71/64/29/441716429.db2.gz ZOKTUZWWDCDMTP-XWSJACJDSA-N 2 1 340.508 1.909 20 0 EDADMP Cc1cccc(NC2CC[NH+](CCCN3C(=O)CNC3=O)CC2)[nH+]1 ZINC000077316496 441753268 /nfs/dbraw/zinc/75/32/68/441753268.db2.gz DXXUVVPCMDNQAC-UHFFFAOYSA-N 2 1 331.420 1.208 20 0 EDADMP CN(Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253734 441783220 /nfs/dbraw/zinc/78/32/20/441783220.db2.gz DMXWUBXFLNCBDX-INIZCTEOSA-N 2 1 332.496 1.002 20 0 EDADMP CN(Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253734 441783229 /nfs/dbraw/zinc/78/32/29/441783229.db2.gz DMXWUBXFLNCBDX-INIZCTEOSA-N 2 1 332.496 1.002 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000068514936 441810962 /nfs/dbraw/zinc/81/09/62/441810962.db2.gz JCNDVMYJYZMYIW-IEBWSBKVSA-N 2 1 346.519 1.822 20 0 EDADMP Cn1cc[nH+]c1C[C@H]1CCCN(c2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000092922710 441840781 /nfs/dbraw/zinc/84/07/81/441840781.db2.gz IJVWCPJNIICUJJ-CYBMUJFWSA-N 2 1 338.419 1.437 20 0 EDADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000122239121 441841246 /nfs/dbraw/zinc/84/12/46/441841246.db2.gz ISWAWENYWASWKK-KRWDZBQOSA-N 2 1 346.519 1.779 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000122239121 441841248 /nfs/dbraw/zinc/84/12/48/441841248.db2.gz ISWAWENYWASWKK-KRWDZBQOSA-N 2 1 346.519 1.779 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C1CC1 ZINC000118121787 441890815 /nfs/dbraw/zinc/89/08/15/441890815.db2.gz VBNDFEVUJJGWBR-UHFFFAOYSA-N 2 1 332.448 1.287 20 0 EDADMP C[N@H+](CCc1cccs1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093685501 441893795 /nfs/dbraw/zinc/89/37/95/441893795.db2.gz RTEIBGHBHXBUBO-UHFFFAOYSA-N 2 1 331.489 1.964 20 0 EDADMP C[N@@H+](CCc1cccs1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093685501 441893800 /nfs/dbraw/zinc/89/38/00/441893800.db2.gz RTEIBGHBHXBUBO-UHFFFAOYSA-N 2 1 331.489 1.964 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000093809093 441896733 /nfs/dbraw/zinc/89/67/33/441896733.db2.gz WELRWFGZHLWXEN-KRWDZBQOSA-N 2 1 344.503 1.916 20 0 EDADMP COCC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000124483555 441929940 /nfs/dbraw/zinc/92/99/40/441929940.db2.gz BSBPZHIWCCAIEH-QAPCUYQASA-N 2 1 333.476 1.899 20 0 EDADMP COCCCNC(=O)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000125306530 442007194 /nfs/dbraw/zinc/00/71/94/442007194.db2.gz NRAYOOHHOXGIDA-UHFFFAOYSA-N 2 1 349.479 1.147 20 0 EDADMP COCCCNC(=O)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000125306530 442007202 /nfs/dbraw/zinc/00/72/02/442007202.db2.gz NRAYOOHHOXGIDA-UHFFFAOYSA-N 2 1 349.479 1.147 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000126117717 442080281 /nfs/dbraw/zinc/08/02/81/442080281.db2.gz FPAQXISIMOTHPC-HRCADAONSA-N 2 1 331.460 1.730 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000126117717 442080284 /nfs/dbraw/zinc/08/02/84/442080284.db2.gz FPAQXISIMOTHPC-HRCADAONSA-N 2 1 331.460 1.730 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000120636900 442109907 /nfs/dbraw/zinc/10/99/07/442109907.db2.gz DXWVWKKAYGARMN-YOEHRIQHSA-N 2 1 346.475 1.628 20 0 EDADMP C[C@@H](C(=O)N(C)C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175798125 442124354 /nfs/dbraw/zinc/12/43/54/442124354.db2.gz UWKCZSHDBTZWQD-XHSDSOJGSA-N 2 1 325.497 1.674 20 0 EDADMP C[NH+]1CCN(C(=O)CN2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000120779348 442131136 /nfs/dbraw/zinc/13/11/36/442131136.db2.gz CQWGARSDLPUVKZ-UHFFFAOYSA-N 2 1 336.524 1.348 20 0 EDADMP C[NH+]1CCN(C(=O)CN2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000120779348 442131140 /nfs/dbraw/zinc/13/11/40/442131140.db2.gz CQWGARSDLPUVKZ-UHFFFAOYSA-N 2 1 336.524 1.348 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126729109 442138834 /nfs/dbraw/zinc/13/88/34/442138834.db2.gz OXHLJOAXOUHLEA-IRXDYDNUSA-N 2 1 341.459 1.676 20 0 EDADMP C[N@@H+](CCCOC(=O)NC(N)=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121164716 442185580 /nfs/dbraw/zinc/18/55/80/442185580.db2.gz LVXMWUAGJHWPNZ-MRXNPFEDSA-N 2 1 348.447 1.635 20 0 EDADMP C[NH+](CCCOC(=O)NC(N)=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121164716 442185586 /nfs/dbraw/zinc/18/55/86/442185586.db2.gz LVXMWUAGJHWPNZ-MRXNPFEDSA-N 2 1 348.447 1.635 20 0 EDADMP C[NH+](CCCOC(=O)NC(N)=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121164716 442185590 /nfs/dbraw/zinc/18/55/90/442185590.db2.gz LVXMWUAGJHWPNZ-MRXNPFEDSA-N 2 1 348.447 1.635 20 0 EDADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1)[NH+](C)C ZINC000152291871 442194327 /nfs/dbraw/zinc/19/43/27/442194327.db2.gz SPHWSBMEWVUPSV-QAPCUYQASA-N 2 1 349.475 1.735 20 0 EDADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1)[NH+](C)C ZINC000152291871 442194331 /nfs/dbraw/zinc/19/43/31/442194331.db2.gz SPHWSBMEWVUPSV-QAPCUYQASA-N 2 1 349.475 1.735 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[NH2+]C3)CC2)oc1C ZINC000168624321 442224409 /nfs/dbraw/zinc/22/44/09/442224409.db2.gz POORVULNFMNBDZ-MRXNPFEDSA-N 2 1 334.464 1.619 20 0 EDADMP COc1ccc([C@@H](C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(OC)c1 ZINC000128155339 442248475 /nfs/dbraw/zinc/24/84/75/442248475.db2.gz RNFPJXOOVRIJRO-CABCVRRESA-N 2 1 349.475 1.942 20 0 EDADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(OC)c1 ZINC000128155339 442248479 /nfs/dbraw/zinc/24/84/79/442248479.db2.gz RNFPJXOOVRIJRO-CABCVRRESA-N 2 1 349.475 1.942 20 0 EDADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(OC)c1 ZINC000128155339 442248482 /nfs/dbraw/zinc/24/84/82/442248482.db2.gz RNFPJXOOVRIJRO-CABCVRRESA-N 2 1 349.475 1.942 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000170685355 442248785 /nfs/dbraw/zinc/24/87/85/442248785.db2.gz WZEHNWKLROOQGF-QZTJIDSGSA-N 2 1 339.524 1.973 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCN(C(N)=O)CC3)c2)CCO1 ZINC000153461512 442283978 /nfs/dbraw/zinc/28/39/78/442283978.db2.gz BLXXHXFZCJIEOX-HNNXBMFYSA-N 2 1 346.475 1.540 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCN(C(N)=O)CC3)c2)CCO1 ZINC000153461512 442283980 /nfs/dbraw/zinc/28/39/80/442283980.db2.gz BLXXHXFZCJIEOX-HNNXBMFYSA-N 2 1 346.475 1.540 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000154073591 442320055 /nfs/dbraw/zinc/32/00/55/442320055.db2.gz YULJKJDKOSPWLV-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC000154073591 442320057 /nfs/dbraw/zinc/32/00/57/442320057.db2.gz YULJKJDKOSPWLV-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP C[C@H]1C[NH+](CCC2CC[NH+](CCCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000177490446 442348991 /nfs/dbraw/zinc/34/89/91/442348991.db2.gz NIORCKMAZGDWEQ-HOTGVXAUSA-N 2 1 346.537 1.632 20 0 EDADMP Cc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000153859438 442307354 /nfs/dbraw/zinc/30/73/54/442307354.db2.gz RXKWJVBHJVZMQO-UHFFFAOYSA-N 2 1 330.476 1.766 20 0 EDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132000707 442385165 /nfs/dbraw/zinc/38/51/65/442385165.db2.gz KEYUSOHENPNGSY-JKSUJKDBSA-N 2 1 331.526 1.464 20 0 EDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132000707 442385167 /nfs/dbraw/zinc/38/51/67/442385167.db2.gz KEYUSOHENPNGSY-JKSUJKDBSA-N 2 1 331.526 1.464 20 0 EDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132000707 442385171 /nfs/dbraw/zinc/38/51/71/442385171.db2.gz KEYUSOHENPNGSY-JKSUJKDBSA-N 2 1 331.526 1.464 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COCc2ccccc2OC)C1 ZINC000177839385 442389919 /nfs/dbraw/zinc/38/99/19/442389919.db2.gz UCPMZPQBZFOUOS-AEFFLSMTSA-N 2 1 336.476 1.846 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COCc2ccccc2OC)C1 ZINC000177839385 442389920 /nfs/dbraw/zinc/38/99/20/442389920.db2.gz UCPMZPQBZFOUOS-AEFFLSMTSA-N 2 1 336.476 1.846 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000177838484 442390249 /nfs/dbraw/zinc/39/02/49/442390249.db2.gz FMYIXEDNQCQMFJ-WMZOPIPTSA-N 2 1 334.460 1.903 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000177844168 442390920 /nfs/dbraw/zinc/39/09/20/442390920.db2.gz WMOGDHVGYXTXCN-DLBZAZTESA-N 2 1 340.512 1.326 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000177844168 442390924 /nfs/dbraw/zinc/39/09/24/442390924.db2.gz WMOGDHVGYXTXCN-DLBZAZTESA-N 2 1 340.512 1.326 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000177844168 442390926 /nfs/dbraw/zinc/39/09/26/442390926.db2.gz WMOGDHVGYXTXCN-DLBZAZTESA-N 2 1 340.512 1.326 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000177994817 442400743 /nfs/dbraw/zinc/40/07/43/442400743.db2.gz QUGLLAQZRWDXFT-NVXWUHKLSA-N 2 1 339.505 1.593 20 0 EDADMP Cc1nn(C)c(Cl)c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000172159166 442417251 /nfs/dbraw/zinc/41/72/51/442417251.db2.gz PGRKBUIWHXAZRU-UHFFFAOYSA-N 2 1 341.887 1.272 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000178856902 442504571 /nfs/dbraw/zinc/50/45/71/442504571.db2.gz SWSKSFAPFJGEDB-JZXOWHBKSA-N 2 1 337.508 1.866 20 0 EDADMP COC1(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000178857852 442504712 /nfs/dbraw/zinc/50/47/12/442504712.db2.gz XNSUTLNWOSOLFS-MRXNPFEDSA-N 2 1 333.476 1.782 20 0 EDADMP COC(=O)C[C@@H]1CSCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191552655 442463187 /nfs/dbraw/zinc/46/31/87/442463187.db2.gz JWXPYHMFUNKDNG-MRXNPFEDSA-N 2 1 343.537 1.383 20 0 EDADMP CC[C@H](NC(=O)C[NH2+]CC1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000178869613 442508977 /nfs/dbraw/zinc/50/89/77/442508977.db2.gz RTBGEZKYMDHZAF-RBUKOAKNSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@H](NC(=O)C[NH2+]CC1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000178869613 442508984 /nfs/dbraw/zinc/50/89/84/442508984.db2.gz RTBGEZKYMDHZAF-RBUKOAKNSA-N 2 1 345.487 1.782 20 0 EDADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCCC[NH+]1CCOCC1 ZINC000157131331 442552500 /nfs/dbraw/zinc/55/25/00/442552500.db2.gz MIPOGVRWWOTCND-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCCC[NH+]1CCOCC1 ZINC000157131331 442552505 /nfs/dbraw/zinc/55/25/05/442552505.db2.gz MIPOGVRWWOTCND-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP CCCN(C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C1 ZINC000178900862 442519840 /nfs/dbraw/zinc/51/98/40/442519840.db2.gz IHWURFQJRKIGPS-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CCCN(C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C1 ZINC000178900862 442519847 /nfs/dbraw/zinc/51/98/47/442519847.db2.gz IHWURFQJRKIGPS-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP O=C(CC[N@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1ccccc1F ZINC000172935053 442569833 /nfs/dbraw/zinc/56/98/33/442569833.db2.gz HQOMWCKFLBLRMQ-OAHLLOKOSA-N 2 1 335.423 1.808 20 0 EDADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)Cn1cccn1 ZINC000179393422 442639471 /nfs/dbraw/zinc/63/94/71/442639471.db2.gz PYUVFCVZIRIYBR-LJQANCHMSA-N 2 1 343.475 1.878 20 0 EDADMP C[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000136139017 442653100 /nfs/dbraw/zinc/65/31/00/442653100.db2.gz SWCRFLFMYMGNCM-MRXNPFEDSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000136139017 442653103 /nfs/dbraw/zinc/65/31/03/442653103.db2.gz SWCRFLFMYMGNCM-MRXNPFEDSA-N 2 1 345.487 1.396 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000173189216 442621006 /nfs/dbraw/zinc/62/10/06/442621006.db2.gz JFFKTKCEJNCZKJ-GJZGRUSLSA-N 2 1 337.468 1.380 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)NCC[NH+]1CCCOCC1 ZINC000186913159 442629577 /nfs/dbraw/zinc/62/95/77/442629577.db2.gz NRXSLCCNHYIMHF-UHFFFAOYSA-N 2 1 346.475 1.066 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)NCC[N@@H+]1CCCOCC1 ZINC000186913159 442629582 /nfs/dbraw/zinc/62/95/82/442629582.db2.gz NRXSLCCNHYIMHF-UHFFFAOYSA-N 2 1 346.475 1.066 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)NCC[N@H+]1CCCOCC1 ZINC000186913159 442629588 /nfs/dbraw/zinc/62/95/88/442629588.db2.gz NRXSLCCNHYIMHF-UHFFFAOYSA-N 2 1 346.475 1.066 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000188061353 442706807 /nfs/dbraw/zinc/70/68/07/442706807.db2.gz BWJMMTNTPUQSEL-CRAIPNDOSA-N 2 1 331.460 1.523 20 0 EDADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000192727565 442680723 /nfs/dbraw/zinc/68/07/23/442680723.db2.gz QPZGIDXFECWNLT-CYBMUJFWSA-N 2 1 325.478 1.857 20 0 EDADMP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)CS(C)(=O)=O ZINC000192740038 442682455 /nfs/dbraw/zinc/68/24/55/442682455.db2.gz WOUQTNCVMARIQO-INIZCTEOSA-N 2 1 333.542 1.158 20 0 EDADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)CS(C)(=O)=O ZINC000192740038 442682457 /nfs/dbraw/zinc/68/24/57/442682457.db2.gz WOUQTNCVMARIQO-INIZCTEOSA-N 2 1 333.542 1.158 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000187748765 442690586 /nfs/dbraw/zinc/69/05/86/442690586.db2.gz XVKZLNOLWGFSKN-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000187748765 442690588 /nfs/dbraw/zinc/69/05/88/442690588.db2.gz XVKZLNOLWGFSKN-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000187748765 442690591 /nfs/dbraw/zinc/69/05/91/442690591.db2.gz XVKZLNOLWGFSKN-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C[C@@H](O)C(F)(F)F ZINC000192832278 442691104 /nfs/dbraw/zinc/69/11/04/442691104.db2.gz IHRAWFWXYJTOAP-CQSZACIVSA-N 2 1 325.419 1.648 20 0 EDADMP COCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cccnc1 ZINC000192837812 442691673 /nfs/dbraw/zinc/69/16/73/442691673.db2.gz PCMKSTSHQSNQBR-UHFFFAOYSA-N 2 1 334.508 1.946 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CCC[NH2+][C@@H]3C)CC2)cs1 ZINC000193479206 442747369 /nfs/dbraw/zinc/74/73/69/442747369.db2.gz KKKZDOMBABLVKM-WBMJQRKESA-N 2 1 336.505 1.920 20 0 EDADMP CC(C)CO[C@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000181686975 442709723 /nfs/dbraw/zinc/70/97/23/442709723.db2.gz GPFSBXGHCADRED-CVEARBPZSA-N 2 1 325.497 1.580 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000246403450 442779659 /nfs/dbraw/zinc/77/96/59/442779659.db2.gz KDJCVYHMPAGJSB-CVEARBPZSA-N 2 1 328.501 1.326 20 0 EDADMP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1nccn1C ZINC000183290304 442918318 /nfs/dbraw/zinc/91/83/18/442918318.db2.gz GEBZPGAEOWXJDC-KRWDZBQOSA-N 2 1 343.475 1.952 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(O)ccc1OC ZINC000189364053 442929579 /nfs/dbraw/zinc/92/95/79/442929579.db2.gz IFZSLZHQFUIORD-OAHLLOKOSA-N 2 1 349.475 1.889 20 0 EDADMP C[C@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000184965442 443107900 /nfs/dbraw/zinc/10/79/00/443107900.db2.gz VULUMGBFJVDOOQ-IEBWSBKVSA-N 2 1 344.503 1.576 20 0 EDADMP CO[C@@H](C)[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000268799443 443112040 /nfs/dbraw/zinc/11/20/40/443112040.db2.gz PIUFNOAKCLFXOU-HOTGVXAUSA-N 2 1 349.475 1.860 20 0 EDADMP CN(CC[N@H+](C)C1CC1)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000185220099 443163820 /nfs/dbraw/zinc/16/38/20/443163820.db2.gz AFUPXHVEBIZQAG-UHFFFAOYSA-N 2 1 336.505 1.842 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000185220099 443163824 /nfs/dbraw/zinc/16/38/24/443163824.db2.gz AFUPXHVEBIZQAG-UHFFFAOYSA-N 2 1 336.505 1.842 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000185220099 443163826 /nfs/dbraw/zinc/16/38/26/443163826.db2.gz AFUPXHVEBIZQAG-UHFFFAOYSA-N 2 1 336.505 1.842 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000185220099 443163830 /nfs/dbraw/zinc/16/38/30/443163830.db2.gz AFUPXHVEBIZQAG-UHFFFAOYSA-N 2 1 336.505 1.842 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)[C@H](C)C1 ZINC000185281653 443176170 /nfs/dbraw/zinc/17/61/70/443176170.db2.gz PQLDJJMPRHGDDD-RHSMWYFYSA-N 2 1 336.455 1.877 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)[C@H](C)C1 ZINC000185281653 443176173 /nfs/dbraw/zinc/17/61/73/443176173.db2.gz PQLDJJMPRHGDDD-RHSMWYFYSA-N 2 1 336.455 1.877 20 0 EDADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000262057547 443182343 /nfs/dbraw/zinc/18/23/43/443182343.db2.gz IVBUVHZKQNAQAP-YOEHRIQHSA-N 2 1 335.423 1.409 20 0 EDADMP Cc1c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000263241979 443227634 /nfs/dbraw/zinc/22/76/34/443227634.db2.gz GNVVAJLCMASQKY-KBPBESRZSA-N 2 1 348.495 1.361 20 0 EDADMP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000245441109 443228140 /nfs/dbraw/zinc/22/81/40/443228140.db2.gz VDOJHTBMFJLROI-KURKYZTESA-N 2 1 338.540 1.449 20 0 EDADMP Cc1c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000262678302 443207154 /nfs/dbraw/zinc/20/71/54/443207154.db2.gz UONYNODBCNMLCW-UONOGXRCSA-N 2 1 348.495 1.361 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000366242831 319118467 /nfs/dbraw/zinc/11/84/67/319118467.db2.gz CUJLERUAXRMYII-DJIMGWMZSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000366242831 319118468 /nfs/dbraw/zinc/11/84/68/319118468.db2.gz CUJLERUAXRMYII-DJIMGWMZSA-N 2 1 338.496 1.412 20 0 EDADMP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000266816825 443253819 /nfs/dbraw/zinc/25/38/19/443253819.db2.gz HFHDOFLLKXCXRT-LJQANCHMSA-N 2 1 344.503 1.718 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412262085 319228845 /nfs/dbraw/zinc/22/88/45/319228845.db2.gz QJOQOWVTTYHRMH-KRWDZBQOSA-N 2 1 345.487 1.811 20 0 EDADMP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000269261889 443255630 /nfs/dbraw/zinc/25/56/30/443255630.db2.gz WIFOHNGOKSKMMN-HUUCEWRRSA-N 2 1 337.489 1.455 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413975621 319308888 /nfs/dbraw/zinc/30/88/88/319308888.db2.gz HPVZVWAFOKUZRC-UHFFFAOYSA-N 2 1 342.443 1.335 20 0 EDADMP C[C@]1(C[NH2+]Cc2ccccc2OCCN2CCOCC2)CC[NH2+]C1 ZINC000415087714 319346910 /nfs/dbraw/zinc/34/69/10/319346910.db2.gz WMPQLCZHAKJBMX-IBGZPJMESA-N 2 1 333.476 1.487 20 0 EDADMP CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000415196509 319349145 /nfs/dbraw/zinc/34/91/45/319349145.db2.gz RNTUHCAKWOUDAH-UHFFFAOYSA-N 2 1 344.459 1.467 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415237135 319355066 /nfs/dbraw/zinc/35/50/66/319355066.db2.gz HTKWVUHDFPVKCG-AWEZNQCLSA-N 2 1 334.464 1.581 20 0 EDADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+](C2CC2)C1 ZINC000415255169 319357172 /nfs/dbraw/zinc/35/71/72/319357172.db2.gz MDXLPVKQZGEAGO-CYBMUJFWSA-N 2 1 330.432 1.027 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CC)C[C@@H]2CC)c1 ZINC000415268434 319358746 /nfs/dbraw/zinc/35/87/46/319358746.db2.gz VGZPNZSDEQPFHK-KRWDZBQOSA-N 2 1 346.475 1.677 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CC)C[C@@H]2CC)c1 ZINC000415268434 319358748 /nfs/dbraw/zinc/35/87/48/319358748.db2.gz VGZPNZSDEQPFHK-KRWDZBQOSA-N 2 1 346.475 1.677 20 0 EDADMP Cn1cc[nH+]c1N1CCN(CC(=O)NCCC2=CCCCC2)CC1 ZINC000266969662 443306102 /nfs/dbraw/zinc/30/61/02/443306102.db2.gz ZPEBUPBCAHVNMQ-UHFFFAOYSA-N 2 1 331.464 1.549 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000416939954 319479970 /nfs/dbraw/zinc/47/99/70/319479970.db2.gz NZMJQFJUPQARPJ-PMPSAXMXSA-N 2 1 326.485 1.112 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)NCC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000272445829 443320747 /nfs/dbraw/zinc/32/07/47/443320747.db2.gz LWCWOKLQNXBERF-HKUYNNGSSA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+]1CC[C@H]2CCN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000272445829 443320752 /nfs/dbraw/zinc/32/07/52/443320752.db2.gz LWCWOKLQNXBERF-HKUYNNGSSA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+]1CC[C@H]2CCN(C(=O)NCC[N@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000272445829 443320756 /nfs/dbraw/zinc/32/07/56/443320756.db2.gz LWCWOKLQNXBERF-HKUYNNGSSA-N 2 1 342.487 1.780 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000416945267 319482150 /nfs/dbraw/zinc/48/21/50/319482150.db2.gz FEAXHDBCCGGRTL-INMHGKMJSA-N 2 1 340.512 1.515 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000264572214 443331191 /nfs/dbraw/zinc/33/11/91/443331191.db2.gz SKAVWKZZHVBHNK-SFHVURJKSA-N 2 1 331.460 1.733 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418588292 319506798 /nfs/dbraw/zinc/50/67/98/319506798.db2.gz HRWZWIQOPVVXFS-WMZOPIPTSA-N 2 1 330.476 1.820 20 0 EDADMP O=C(CCn1ccnc1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000272887515 443479750 /nfs/dbraw/zinc/47/97/50/443479750.db2.gz ZQPCZJCUGUOEMP-SFHVURJKSA-N 2 1 342.443 1.546 20 0 EDADMP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N1CC(=O)Nc2ccccc21 ZINC000431025603 319937707 /nfs/dbraw/zinc/93/77/07/319937707.db2.gz ZNFJXCYFFDUFSS-UHFFFAOYSA-N 2 1 328.416 1.047 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NCC[C@H]3CCC[NH2+]3)CC2)cs1 ZINC000444273526 320123999 /nfs/dbraw/zinc/12/39/99/320123999.db2.gz QFKYRFYRRKIDSQ-OAHLLOKOSA-N 2 1 336.505 1.922 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)C[C@H](C)O1 ZINC000444272057 320124090 /nfs/dbraw/zinc/12/40/90/320124090.db2.gz WBLVUGMTXBLDQY-WQDJSCAQSA-N 2 1 349.519 1.724 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000457505602 320328783 /nfs/dbraw/zinc/32/87/83/320328783.db2.gz HJFHRMHJBFECIJ-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000457505602 320328784 /nfs/dbraw/zinc/32/87/84/320328784.db2.gz HJFHRMHJBFECIJ-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000457505602 320328785 /nfs/dbraw/zinc/32/87/85/320328785.db2.gz HJFHRMHJBFECIJ-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000457613654 320331215 /nfs/dbraw/zinc/33/12/15/320331215.db2.gz WDWRECRNTVABGB-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000457613654 320331216 /nfs/dbraw/zinc/33/12/16/320331216.db2.gz WDWRECRNTVABGB-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000457717518 320333200 /nfs/dbraw/zinc/33/32/00/320333200.db2.gz UULVYYVMPIELEM-VQHPVUNQSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000457717518 320333201 /nfs/dbraw/zinc/33/32/01/320333201.db2.gz UULVYYVMPIELEM-VQHPVUNQSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000457717518 320333202 /nfs/dbraw/zinc/33/32/02/320333202.db2.gz UULVYYVMPIELEM-VQHPVUNQSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)C[C@H](C)[N@@H+]1CCO ZINC000458853843 320343123 /nfs/dbraw/zinc/34/31/23/320343123.db2.gz PDQHQLLGRLHROJ-CALCHBBNSA-N 2 1 340.512 1.349 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000459327209 320346813 /nfs/dbraw/zinc/34/68/13/320346813.db2.gz XPQCNVYLUNRARL-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000459327209 320346814 /nfs/dbraw/zinc/34/68/14/320346814.db2.gz XPQCNVYLUNRARL-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459327209 320346815 /nfs/dbraw/zinc/34/68/15/320346815.db2.gz XPQCNVYLUNRARL-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459327209 320346816 /nfs/dbraw/zinc/34/68/16/320346816.db2.gz XPQCNVYLUNRARL-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000286291498 443684230 /nfs/dbraw/zinc/68/42/30/443684230.db2.gz GAGZNSWKKNNYFP-AWEZNQCLSA-N 2 1 334.489 1.881 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292920245 443879229 /nfs/dbraw/zinc/87/92/29/443879229.db2.gz IESBGNHPQYNWPJ-IBGZPJMESA-N 2 1 345.443 1.449 20 0 EDADMP CC(C)[C@@H](O)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000292946399 443885860 /nfs/dbraw/zinc/88/58/60/443885860.db2.gz ADNCONXQFKHUAU-UXHICEINSA-N 2 1 331.504 1.895 20 0 EDADMP C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000298862905 443887674 /nfs/dbraw/zinc/88/76/74/443887674.db2.gz GJSUBKYNMFCEKW-OAHLLOKOSA-N 2 1 334.464 1.633 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(c2ccccn2)CC1 ZINC000298734760 443853271 /nfs/dbraw/zinc/85/32/71/443853271.db2.gz MJVIWNPVXQLGDO-CVEARBPZSA-N 2 1 329.448 1.540 20 0 EDADMP CC[NH+](CC)Cc1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000276859868 443855213 /nfs/dbraw/zinc/85/52/13/443855213.db2.gz CJIIUSJIDAIQLI-UHFFFAOYSA-N 2 1 330.436 1.725 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000288553005 443916604 /nfs/dbraw/zinc/91/66/04/443916604.db2.gz VRWPUTKPACOBEY-QUCCMNQESA-N 2 1 343.471 1.442 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000288553005 443916606 /nfs/dbraw/zinc/91/66/06/443916606.db2.gz VRWPUTKPACOBEY-QUCCMNQESA-N 2 1 343.471 1.442 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000288553005 443916608 /nfs/dbraw/zinc/91/66/08/443916608.db2.gz VRWPUTKPACOBEY-QUCCMNQESA-N 2 1 343.471 1.442 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000288553005 443916610 /nfs/dbraw/zinc/91/66/10/443916610.db2.gz VRWPUTKPACOBEY-QUCCMNQESA-N 2 1 343.471 1.442 20 0 EDADMP C[C@H](NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1ccccc1 ZINC000288576658 443923472 /nfs/dbraw/zinc/92/34/72/443923472.db2.gz BCVZQZZZFMHYRV-KRWDZBQOSA-N 2 1 334.508 1.679 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](CO)CC1)c1ccccc1 ZINC000293341450 443987939 /nfs/dbraw/zinc/98/79/39/443987939.db2.gz YTUBURLZHYXGKK-AEFFLSMTSA-N 2 1 333.476 1.500 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](CO)CC1)c1ccccc1 ZINC000293341459 443988077 /nfs/dbraw/zinc/98/80/77/443988077.db2.gz YTUBURLZHYXGKK-SJLPKXTDSA-N 2 1 333.476 1.500 20 0 EDADMP C[N@H+](CCNC(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1)C1CC1 ZINC000289094770 444052275 /nfs/dbraw/zinc/05/22/75/444052275.db2.gz MLJSYNAEOIEZCY-GOSISDBHSA-N 2 1 330.476 1.649 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1)C1CC1 ZINC000289094770 444052281 /nfs/dbraw/zinc/05/22/81/444052281.db2.gz MLJSYNAEOIEZCY-GOSISDBHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+](CCNC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)C1CC1 ZINC000289094770 444052286 /nfs/dbraw/zinc/05/22/86/444052286.db2.gz MLJSYNAEOIEZCY-GOSISDBHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+](CCNC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)C1CC1 ZINC000289094770 444052290 /nfs/dbraw/zinc/05/22/90/444052290.db2.gz MLJSYNAEOIEZCY-GOSISDBHSA-N 2 1 330.476 1.649 20 0 EDADMP O=C1CNC(=O)N1CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285560913 444029051 /nfs/dbraw/zinc/02/90/51/444029051.db2.gz NBXKCJOUROYTEB-IBGZPJMESA-N 2 1 342.443 1.136 20 0 EDADMP O=C1CNC(=O)N1CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285560913 444029055 /nfs/dbraw/zinc/02/90/55/444029055.db2.gz NBXKCJOUROYTEB-IBGZPJMESA-N 2 1 342.443 1.136 20 0 EDADMP O=C1CNC(=O)N1CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285560913 444029059 /nfs/dbraw/zinc/02/90/59/444029059.db2.gz NBXKCJOUROYTEB-IBGZPJMESA-N 2 1 342.443 1.136 20 0 EDADMP O=C1CNC(=O)N1CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285560913 444029062 /nfs/dbraw/zinc/02/90/62/444029062.db2.gz NBXKCJOUROYTEB-IBGZPJMESA-N 2 1 342.443 1.136 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000299373383 444031185 /nfs/dbraw/zinc/03/11/85/444031185.db2.gz NICUULWAAKMOTN-QAPCUYQASA-N 2 1 348.491 1.045 20 0 EDADMP C[C@H](NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1cccs1 ZINC000289169483 444068085 /nfs/dbraw/zinc/06/80/85/444068085.db2.gz FFURUORGTKFJHI-HNNXBMFYSA-N 2 1 340.537 1.741 20 0 EDADMP C[C@@H](NC(=O)N1CC[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000561178388 321035445 /nfs/dbraw/zinc/03/54/45/321035445.db2.gz FKLQGCMHQMHWDK-DJIMGWMZSA-N 2 1 332.448 1.019 20 0 EDADMP C[C@@H](NC(=O)N1CC[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000561178388 321035447 /nfs/dbraw/zinc/03/54/47/321035447.db2.gz FKLQGCMHQMHWDK-DJIMGWMZSA-N 2 1 332.448 1.019 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000561213100 321036541 /nfs/dbraw/zinc/03/65/41/321036541.db2.gz UWZARPWNARUTBS-OWCLPIDISA-N 2 1 338.496 1.127 20 0 EDADMP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000561440888 321041516 /nfs/dbraw/zinc/04/15/16/321041516.db2.gz AQDCMPSUQIYGCT-ZWKOTPCHSA-N 2 1 345.487 1.790 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562803606 321077125 /nfs/dbraw/zinc/07/71/25/321077125.db2.gz AOJZBRISEXRYJR-NUJGCVRESA-N 2 1 348.491 1.703 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562803606 321077127 /nfs/dbraw/zinc/07/71/27/321077127.db2.gz AOJZBRISEXRYJR-NUJGCVRESA-N 2 1 348.491 1.703 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Br)ccc1F ZINC000562956069 321083112 /nfs/dbraw/zinc/08/31/12/321083112.db2.gz CLBWYNVGFBEYSX-JTQLQIEISA-N 2 1 344.228 1.671 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000299579869 444085180 /nfs/dbraw/zinc/08/51/80/444085180.db2.gz UYPHNBXDIFTKDW-GOSISDBHSA-N 2 1 330.476 1.144 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000564431521 321131460 /nfs/dbraw/zinc/13/14/60/321131460.db2.gz IWURFIPARWCBEZ-IAGOWNOFSA-N 2 1 346.475 1.052 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000564444729 321131997 /nfs/dbraw/zinc/13/19/97/321131997.db2.gz RXDSSPFNNQQLIL-INIZCTEOSA-N 2 1 347.459 1.608 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564931447 321158479 /nfs/dbraw/zinc/15/84/79/321158479.db2.gz LXYPLPDWGYEIOI-LEUOFYLZSA-N 2 1 331.460 1.390 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@H](C)[C@@H]3C)CC2)CC1 ZINC000565182547 321174163 /nfs/dbraw/zinc/17/41/63/321174163.db2.gz NHGKHNRBURNPMJ-JKSUJKDBSA-N 2 1 337.508 1.819 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(C)ccc2C)CC1 ZINC000565652499 321194910 /nfs/dbraw/zinc/19/49/10/321194910.db2.gz SRQCAFQESVMQBX-GOSISDBHSA-N 2 1 336.476 1.744 20 0 EDADMP C[N@@H+](CCNC(=O)c1conc1C(C)(C)[NH3+])Cc1ccc(F)cc1 ZINC000565906564 321205708 /nfs/dbraw/zinc/20/57/08/321205708.db2.gz ZBDZOEGOURQXNX-UHFFFAOYSA-N 2 1 334.395 1.869 20 0 EDADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000567842608 321261913 /nfs/dbraw/zinc/26/19/13/321261913.db2.gz UJSFROAXXIQMLG-NVXWUHKLSA-N 2 1 330.476 1.094 20 0 EDADMP CC[C@]1(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000568516841 321295413 /nfs/dbraw/zinc/29/54/13/321295413.db2.gz PYZJQEYXFDYMMZ-LJQANCHMSA-N 2 1 330.476 1.905 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000568607602 321298681 /nfs/dbraw/zinc/29/86/81/321298681.db2.gz XFLYTBDYUIVCQV-XHSDSOJGSA-N 2 1 340.512 1.563 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000568607602 321298682 /nfs/dbraw/zinc/29/86/82/321298682.db2.gz XFLYTBDYUIVCQV-XHSDSOJGSA-N 2 1 340.512 1.563 20 0 EDADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC1C2CC3CC(C2)CC1C3 ZINC000568884045 321310009 /nfs/dbraw/zinc/31/00/09/321310009.db2.gz DJTRSFDWKOFFHB-PTKSYQAQSA-N 2 1 331.504 1.859 20 0 EDADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000569185117 321320499 /nfs/dbraw/zinc/32/04/99/321320499.db2.gz QRUHQKXGRAOXPX-ZBFHGGJFSA-N 2 1 326.448 1.971 20 0 EDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000569185117 321320500 /nfs/dbraw/zinc/32/05/00/321320500.db2.gz QRUHQKXGRAOXPX-ZBFHGGJFSA-N 2 1 326.448 1.971 20 0 EDADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000569228888 321321877 /nfs/dbraw/zinc/32/18/77/321321877.db2.gz HAPPMUKVNHSMRT-KRWDZBQOSA-N 2 1 326.485 1.053 20 0 EDADMP O=S1(=O)CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)C1 ZINC000569836032 321330169 /nfs/dbraw/zinc/33/01/69/321330169.db2.gz WGXQANPOSNBXQE-OIISXLGYSA-N 2 1 340.464 1.686 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000570028722 321334644 /nfs/dbraw/zinc/33/46/44/321334644.db2.gz LAWLQNOXWVKJPF-RBSFLKMASA-N 2 1 326.485 1.316 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[NH+]1CCOCC1 ZINC000570546793 321346998 /nfs/dbraw/zinc/34/69/98/321346998.db2.gz FGIOHRSTTHCTES-BRWVUGGUSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H]([NH3+])CCC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000570926669 321363849 /nfs/dbraw/zinc/36/38/49/321363849.db2.gz CWHACPISHIRAKC-ZDUSSCGKSA-N 2 1 333.480 1.710 20 0 EDADMP C[C@@H](C[NH3+])C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000285811481 444115676 /nfs/dbraw/zinc/11/56/76/444115676.db2.gz RTMUWQXRNBJLQL-HNNXBMFYSA-N 2 1 349.475 1.387 20 0 EDADMP C[NH2+][C@@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000285906588 444148729 /nfs/dbraw/zinc/14/87/29/444148729.db2.gz DDMKQKWZOQEWOB-CRAIPNDOSA-N 2 1 343.475 1.707 20 0 EDADMP C[NH2+][C@@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000285906588 444148732 /nfs/dbraw/zinc/14/87/32/444148732.db2.gz DDMKQKWZOQEWOB-CRAIPNDOSA-N 2 1 343.475 1.707 20 0 EDADMP C[C@H](C(=O)Nc1nccs1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289562950 444172558 /nfs/dbraw/zinc/17/25/58/444172558.db2.gz XWPPUDVSJMCZAK-CYBMUJFWSA-N 2 1 327.498 1.285 20 0 EDADMP C[C@H](C(=O)Nc1nccs1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289562950 444172560 /nfs/dbraw/zinc/17/25/60/444172560.db2.gz XWPPUDVSJMCZAK-CYBMUJFWSA-N 2 1 327.498 1.285 20 0 EDADMP COc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1O ZINC000289623085 444182409 /nfs/dbraw/zinc/18/24/09/444182409.db2.gz JZVCVSBHRAJINO-UHFFFAOYSA-N 2 1 337.464 1.525 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCC(O)CC1 ZINC000296107812 444205030 /nfs/dbraw/zinc/20/50/30/444205030.db2.gz ZHDZIHUWLXEWGR-YLJYHZDGSA-N 2 1 331.504 1.943 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCC(O)CC1 ZINC000296107812 444205033 /nfs/dbraw/zinc/20/50/33/444205033.db2.gz ZHDZIHUWLXEWGR-YLJYHZDGSA-N 2 1 331.504 1.943 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cn2cc[nH+]c12 ZINC000576609708 321581285 /nfs/dbraw/zinc/58/12/85/321581285.db2.gz FHBSGPPZOPIQAD-SFHVURJKSA-N 2 1 341.415 1.183 20 0 EDADMP CO[C@H](C[NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000290128917 444245775 /nfs/dbraw/zinc/24/57/75/444245775.db2.gz LRCYOZHTQQCRQC-JKSUJKDBSA-N 2 1 339.867 1.784 20 0 EDADMP CO[C@H](C[NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000290128917 444245776 /nfs/dbraw/zinc/24/57/76/444245776.db2.gz LRCYOZHTQQCRQC-JKSUJKDBSA-N 2 1 339.867 1.784 20 0 EDADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CO2 ZINC000297704495 444321267 /nfs/dbraw/zinc/32/12/67/444321267.db2.gz MNZUFOHQFCXYJH-GOSISDBHSA-N 2 1 347.503 1.862 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H](O)c3cccnc3)CC2)C[C@H](C)O1 ZINC000297103837 444274557 /nfs/dbraw/zinc/27/45/57/444274557.db2.gz LIOVQGYTFNNXDO-JTDSTZFVSA-N 2 1 333.476 1.936 20 0 EDADMP COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc(OC)c1O ZINC000290456572 444283139 /nfs/dbraw/zinc/28/31/39/444283139.db2.gz TVPGNELURDYSJX-OAHLLOKOSA-N 2 1 338.448 1.736 20 0 EDADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCN2C(=O)c3ccccc3C2=O)C1 ZINC000290557790 444295033 /nfs/dbraw/zinc/29/50/33/444295033.db2.gz SFGIKGORVJVJND-WMLDXEAASA-N 2 1 327.428 1.699 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCN2C(=O)c3ccccc3C2=O)C1 ZINC000290557790 444295036 /nfs/dbraw/zinc/29/50/36/444295036.db2.gz SFGIKGORVJVJND-WMLDXEAASA-N 2 1 327.428 1.699 20 0 EDADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CCN2C(=O)c3ccccc3C2=O)C1 ZINC000290557790 444295039 /nfs/dbraw/zinc/29/50/39/444295039.db2.gz SFGIKGORVJVJND-WMLDXEAASA-N 2 1 327.428 1.699 20 0 EDADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CCN2C(=O)c3ccccc3C2=O)C1 ZINC000290557790 444295040 /nfs/dbraw/zinc/29/50/40/444295040.db2.gz SFGIKGORVJVJND-WMLDXEAASA-N 2 1 327.428 1.699 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)cc1 ZINC000331012324 444358107 /nfs/dbraw/zinc/35/81/07/444358107.db2.gz NQOGPCZFLODNAY-UHFFFAOYSA-N 2 1 325.478 1.512 20 0 EDADMP C[N@@H+](CCCc1nc(-c2cccs2)no1)CC(=O)N1CC[NH2+]CC1 ZINC000325090050 444361258 /nfs/dbraw/zinc/36/12/58/444361258.db2.gz NOMXEFBEYAIJTJ-UHFFFAOYSA-N 2 1 349.460 1.094 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000337967634 444475080 /nfs/dbraw/zinc/47/50/80/444475080.db2.gz ARDVHUPOUWFIFZ-BHIYHBOVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000337967634 444475082 /nfs/dbraw/zinc/47/50/82/444475082.db2.gz ARDVHUPOUWFIFZ-BHIYHBOVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C[N@@H+]1Cc1ccccc1 ZINC000337967634 444475083 /nfs/dbraw/zinc/47/50/83/444475083.db2.gz ARDVHUPOUWFIFZ-BHIYHBOVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C[N@H+]1Cc1ccccc1 ZINC000337967634 444475085 /nfs/dbraw/zinc/47/50/85/444475085.db2.gz ARDVHUPOUWFIFZ-BHIYHBOVSA-N 2 1 345.487 1.734 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000580722464 322087948 /nfs/dbraw/zinc/08/79/48/322087948.db2.gz OHHZWJSQIMWWJC-JKSUJKDBSA-N 2 1 332.835 1.964 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)NCc3ccc(N4CCCC4)nc3)[C@@H]2C1 ZINC000580770439 322093140 /nfs/dbraw/zinc/09/31/40/322093140.db2.gz GXBQGWHTWOADKB-DLBZAZTESA-N 2 1 343.475 1.917 20 0 EDADMP C[N@H+]1CC[C@@](O)(CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000580873132 322105811 /nfs/dbraw/zinc/10/58/11/322105811.db2.gz QDJGWJCXJWLPKK-YSTOQKLRSA-N 2 1 329.488 1.838 20 0 EDADMP C[NH+]1CC[C@@](O)(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000580873132 322105813 /nfs/dbraw/zinc/10/58/13/322105813.db2.gz QDJGWJCXJWLPKK-YSTOQKLRSA-N 2 1 329.488 1.838 20 0 EDADMP C[NH+]1CC[C@@](O)(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000580873132 322105815 /nfs/dbraw/zinc/10/58/15/322105815.db2.gz QDJGWJCXJWLPKK-YSTOQKLRSA-N 2 1 329.488 1.838 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccc(F)cc2)CCCO1 ZINC000581186163 322146187 /nfs/dbraw/zinc/14/61/87/322146187.db2.gz GDIDKTPPZHHHDW-WBVHZDCISA-N 2 1 340.439 1.656 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000581365031 322168936 /nfs/dbraw/zinc/16/89/36/322168936.db2.gz AGLMEDBVWDJFKL-IRXDYDNUSA-N 2 1 328.497 1.501 20 0 EDADMP C[NH2+]C[C@](C)(O)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000581948493 322237111 /nfs/dbraw/zinc/23/71/11/322237111.db2.gz PBJCXKJTJHETIC-LIRRHRJNSA-N 2 1 342.443 1.955 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@@H](O)C[C@H]3C)CC2)cc1 ZINC000340919740 444576336 /nfs/dbraw/zinc/57/63/36/444576336.db2.gz WIRMKVMNLQASOM-MJGOQNOKSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H](O)C[C@H]3C)CC2)cc1 ZINC000340919740 444576338 /nfs/dbraw/zinc/57/63/38/444576338.db2.gz WIRMKVMNLQASOM-MJGOQNOKSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@@H](O)C[C@H]3C)CC2)cc1 ZINC000340919740 444576340 /nfs/dbraw/zinc/57/63/40/444576340.db2.gz WIRMKVMNLQASOM-MJGOQNOKSA-N 2 1 345.487 1.484 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000340847406 444541055 /nfs/dbraw/zinc/54/10/55/444541055.db2.gz NLRHMBCLODPSAD-IRXDYDNUSA-N 2 1 344.459 1.430 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000343802215 444601193 /nfs/dbraw/zinc/60/11/93/444601193.db2.gz SXVICIZSSPWZBZ-CQSZACIVSA-N 2 1 333.423 1.191 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000341098237 444672890 /nfs/dbraw/zinc/67/28/90/444672890.db2.gz YRJCNDQZOJVUFS-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000343940037 444683032 /nfs/dbraw/zinc/68/30/32/444683032.db2.gz NBUAGAAKIDRAGW-RTBURBONSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@](C)(O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000343940037 444683037 /nfs/dbraw/zinc/68/30/37/444683037.db2.gz NBUAGAAKIDRAGW-RTBURBONSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000343940037 444683041 /nfs/dbraw/zinc/68/30/41/444683041.db2.gz NBUAGAAKIDRAGW-RTBURBONSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000343940037 444683046 /nfs/dbraw/zinc/68/30/46/444683046.db2.gz NBUAGAAKIDRAGW-RTBURBONSA-N 2 1 332.444 1.508 20 0 EDADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ncc(C[NH+](C)C)s3)[C@@H]2C1 ZINC000342412282 444681249 /nfs/dbraw/zinc/68/12/49/444681249.db2.gz DJCGGUDZTXYSBL-IMJJTQAJSA-N 2 1 336.505 1.941 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333917860 444717717 /nfs/dbraw/zinc/71/77/17/444717717.db2.gz NYOBFULLIHWXJO-IXDOHACOSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC[N@H+]1C ZINC000341201641 444725463 /nfs/dbraw/zinc/72/54/63/444725463.db2.gz LTOLYFWYUYGRCY-DLBZAZTESA-N 3 1 341.544 1.384 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000333950940 444727595 /nfs/dbraw/zinc/72/75/95/444727595.db2.gz YOKPILZDMLQFOW-CLWVCHIJSA-N 2 1 348.516 1.873 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000333950940 444727598 /nfs/dbraw/zinc/72/75/98/444727598.db2.gz YOKPILZDMLQFOW-CLWVCHIJSA-N 2 1 348.516 1.873 20 0 EDADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1OC ZINC000344022906 444733863 /nfs/dbraw/zinc/73/38/63/444733863.db2.gz PJRIEQYFBWRZFB-HOCLYGCPSA-N 2 1 349.475 1.942 20 0 EDADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCC[NH+]1CCSCC1 ZINC000341130099 444689142 /nfs/dbraw/zinc/68/91/42/444689142.db2.gz PCHSOEJJQXNYLH-OAHLLOKOSA-N 2 1 328.526 1.551 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCC[NH+]1CCSCC1 ZINC000341130099 444689145 /nfs/dbraw/zinc/68/91/45/444689145.db2.gz PCHSOEJJQXNYLH-OAHLLOKOSA-N 2 1 328.526 1.551 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000342694589 444818656 /nfs/dbraw/zinc/81/86/56/444818656.db2.gz OFBNLRFABJXYBI-CVEARBPZSA-N 2 1 333.432 1.048 20 0 EDADMP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342718945 444833195 /nfs/dbraw/zinc/83/31/95/444833195.db2.gz WYGFLLGZXXYARO-INIZCTEOSA-N 2 1 337.414 1.796 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342718945 444833200 /nfs/dbraw/zinc/83/32/00/444833200.db2.gz WYGFLLGZXXYARO-INIZCTEOSA-N 2 1 337.414 1.796 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000330084174 444838905 /nfs/dbraw/zinc/83/89/05/444838905.db2.gz KYMNYODHLXLISU-HZPDHXFCSA-N 2 1 331.464 1.384 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000337298928 445022568 /nfs/dbraw/zinc/02/25/68/445022568.db2.gz LYPOGFJQWXLQCA-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000337298928 445022571 /nfs/dbraw/zinc/02/25/71/445022571.db2.gz LYPOGFJQWXLQCA-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCc1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)[NH+](C)C)cc1 ZINC000343042915 445024646 /nfs/dbraw/zinc/02/46/46/445024646.db2.gz ZPVCEJGJLRSJMK-MOPGFXCFSA-N 2 1 344.503 1.358 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000344485998 445004217 /nfs/dbraw/zinc/00/42/17/445004217.db2.gz CTRSTLGRKBZANJ-QGZVFWFLSA-N 2 1 347.507 1.733 20 0 EDADMP O[C@]1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000339067287 445017460 /nfs/dbraw/zinc/01/74/60/445017460.db2.gz FYWSHHJMEZDIRV-UFYCRDLUSA-N 2 1 329.488 1.840 20 0 EDADMP O[C@]1(CN[C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000339067287 445017465 /nfs/dbraw/zinc/01/74/65/445017465.db2.gz FYWSHHJMEZDIRV-UFYCRDLUSA-N 2 1 329.488 1.840 20 0 EDADMP O[C@]1(CN[C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000339067287 445017470 /nfs/dbraw/zinc/01/74/70/445017470.db2.gz FYWSHHJMEZDIRV-UFYCRDLUSA-N 2 1 329.488 1.840 20 0 EDADMP CC[C@@H](CNC(=O)NCC[NH+]1CCC1)[N@H+]1CCc2ccccc2C1 ZINC000337403500 445064883 /nfs/dbraw/zinc/06/48/83/445064883.db2.gz RACIFNMLSRKXBH-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Cc1ccc(F)cc1 ZINC000343268024 445169924 /nfs/dbraw/zinc/16/99/24/445169924.db2.gz KNZPXTOCHGQGES-KANFNMMFSA-N 2 1 336.451 1.723 20 0 EDADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000330875799 445176789 /nfs/dbraw/zinc/17/67/89/445176789.db2.gz JHDXAUOWJRJTJB-BBRMVZONSA-N 2 1 341.477 1.165 20 0 EDADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000330875799 445176793 /nfs/dbraw/zinc/17/67/93/445176793.db2.gz JHDXAUOWJRJTJB-BBRMVZONSA-N 2 1 341.477 1.165 20 0 EDADMP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342115389 445180155 /nfs/dbraw/zinc/18/01/55/445180155.db2.gz XPGJVJRFPBNDOW-HUHSQHJXSA-N 2 1 333.451 1.932 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000339495320 445146661 /nfs/dbraw/zinc/14/66/61/445146661.db2.gz WZEWVEHTPYXFTL-QWHCGFSZSA-N 2 1 338.496 1.011 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C2)CC1 ZINC000343358567 445209092 /nfs/dbraw/zinc/20/90/92/445209092.db2.gz DHCHANUSTHSOBM-OALUTQOASA-N 2 1 348.535 1.347 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343400942 445216022 /nfs/dbraw/zinc/21/60/22/445216022.db2.gz KXOWNLCANFCAGA-QRVBRYPASA-N 2 1 348.535 1.489 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343400942 445216023 /nfs/dbraw/zinc/21/60/23/445216023.db2.gz KXOWNLCANFCAGA-QRVBRYPASA-N 2 1 348.535 1.489 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343400942 445216024 /nfs/dbraw/zinc/21/60/24/445216024.db2.gz KXOWNLCANFCAGA-QRVBRYPASA-N 2 1 348.535 1.489 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCC[N@H+]1C ZINC000345734951 445197655 /nfs/dbraw/zinc/19/76/55/445197655.db2.gz COFWFZVEODAFDP-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP Cn1nccc1[C@@H]1[C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)CC(=O)N1C1CC1 ZINC000346715564 445223971 /nfs/dbraw/zinc/22/39/71/445223971.db2.gz SOMNRGJMJFPOBW-OGWOLHLISA-N 2 1 345.491 1.689 20 0 EDADMP Cn1nccc1[C@@H]1[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)CC(=O)N1C1CC1 ZINC000346715564 445223973 /nfs/dbraw/zinc/22/39/73/445223973.db2.gz SOMNRGJMJFPOBW-OGWOLHLISA-N 2 1 345.491 1.689 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000347862202 445252255 /nfs/dbraw/zinc/25/22/55/445252255.db2.gz MRHITGMDCIXEBP-DJIMGWMZSA-N 2 1 335.496 1.505 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC1 ZINC000354517740 445275217 /nfs/dbraw/zinc/27/52/17/445275217.db2.gz YSBWVOXMXGKTDM-UHFFFAOYSA-N 2 1 338.540 1.639 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1cnn(C)c1 ZINC000348123483 445280445 /nfs/dbraw/zinc/28/04/45/445280445.db2.gz SESWSROIPFYQNA-QZTJIDSGSA-N 2 1 348.470 1.860 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1cnn(C)c1 ZINC000348123483 445280448 /nfs/dbraw/zinc/28/04/48/445280448.db2.gz SESWSROIPFYQNA-QZTJIDSGSA-N 2 1 348.470 1.860 20 0 EDADMP C[C@H](O)CN1CCN(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000351848195 445342281 /nfs/dbraw/zinc/34/22/81/445342281.db2.gz CMYCELCGMXMIEU-YVSFHVDLSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000351848195 445342284 /nfs/dbraw/zinc/34/22/84/445342284.db2.gz CMYCELCGMXMIEU-YVSFHVDLSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000351848195 445342287 /nfs/dbraw/zinc/34/22/87/445342287.db2.gz CMYCELCGMXMIEU-YVSFHVDLSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000351857327 445344969 /nfs/dbraw/zinc/34/49/69/445344969.db2.gz XGCTXTZSKDUPRA-JSGCOSHPSA-N 2 1 341.402 1.616 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000351857327 445344970 /nfs/dbraw/zinc/34/49/70/445344970.db2.gz XGCTXTZSKDUPRA-JSGCOSHPSA-N 2 1 341.402 1.616 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCCCOC(C)(C)C)CC1 ZINC000354812558 445404798 /nfs/dbraw/zinc/40/47/98/445404798.db2.gz ANASLZQMNOLSHJ-MRXNPFEDSA-N 2 1 325.497 1.820 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000354812558 445404803 /nfs/dbraw/zinc/40/48/03/445404803.db2.gz ANASLZQMNOLSHJ-MRXNPFEDSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000362523476 445423732 /nfs/dbraw/zinc/42/37/32/445423732.db2.gz FCHRIAOUWHACAN-APWZRJJASA-N 2 1 344.503 1.248 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000362523476 445423737 /nfs/dbraw/zinc/42/37/37/445423737.db2.gz FCHRIAOUWHACAN-APWZRJJASA-N 2 1 344.503 1.248 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000362523476 445423743 /nfs/dbraw/zinc/42/37/43/445423743.db2.gz FCHRIAOUWHACAN-APWZRJJASA-N 2 1 344.503 1.248 20 0 EDADMP Cn1ccnc1[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(F)c1 ZINC000357030375 445383292 /nfs/dbraw/zinc/38/32/92/445383292.db2.gz UFYQKYJASMSDQV-GOSISDBHSA-N 2 1 346.450 1.943 20 0 EDADMP CN(C(=O)CCOC1C[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000349027367 445480571 /nfs/dbraw/zinc/48/05/71/445480571.db2.gz MLUHSGIBNMORSS-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCCCC[NH+]1CCC[C@@H]1CO ZINC000355262371 445452177 /nfs/dbraw/zinc/45/21/77/445452177.db2.gz DEBLDKWEAJOBEV-IAGOWNOFSA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+]1CCCC[C@@H]1CCC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000355262371 445452181 /nfs/dbraw/zinc/45/21/81/445452181.db2.gz DEBLDKWEAJOBEV-IAGOWNOFSA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+]1CCCC[C@@H]1CCC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000355262371 445452186 /nfs/dbraw/zinc/45/21/86/445452186.db2.gz DEBLDKWEAJOBEV-IAGOWNOFSA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+](C)C1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000355543656 445467371 /nfs/dbraw/zinc/46/73/71/445467371.db2.gz IBSCGZUROOTOAW-LJQANCHMSA-N 2 1 344.503 1.528 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362702462 445508852 /nfs/dbraw/zinc/50/88/52/445508852.db2.gz NDGCBUXUTVIIEC-AYOQOUSVSA-N 2 1 335.467 1.817 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362702462 445508856 /nfs/dbraw/zinc/50/88/56/445508856.db2.gz NDGCBUXUTVIIEC-AYOQOUSVSA-N 2 1 335.467 1.817 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362721595 445517962 /nfs/dbraw/zinc/51/79/62/445517962.db2.gz BQSFPAPLAGYTGI-TVFCKZIOSA-N 2 1 336.524 1.201 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000362735773 445524255 /nfs/dbraw/zinc/52/42/55/445524255.db2.gz QWVPNZKDMIPCHD-CZUORRHYSA-N 2 1 332.448 1.713 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000362746246 445529662 /nfs/dbraw/zinc/52/96/62/445529662.db2.gz SYJPCUCGWWNBED-MAUKXSAKSA-N 2 1 333.476 1.831 20 0 EDADMP COc1cc(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)ccc1OCC[NH+](C)C ZINC000362682813 445498414 /nfs/dbraw/zinc/49/84/14/445498414.db2.gz GUJACRVOSMLICB-ZBFHGGJFSA-N 2 1 349.475 1.450 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCSC1 ZINC000362759310 445536094 /nfs/dbraw/zinc/53/60/94/445536094.db2.gz ZBNLHMNXQVCXSC-HLLBOEOZSA-N 2 1 340.537 1.549 20 0 EDADMP Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349301381 445559652 /nfs/dbraw/zinc/55/96/52/445559652.db2.gz USXFTJXRMQYAPG-FUHWJXTLSA-N 2 1 335.496 1.067 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)C[C@H]2C)[C@H](C)C1 ZINC000362836809 445574308 /nfs/dbraw/zinc/57/43/08/445574308.db2.gz JUOPXFAMMOISEV-VQHPVUNQSA-N 2 1 325.497 1.437 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)[C@H](C)C1 ZINC000362836809 445574309 /nfs/dbraw/zinc/57/43/09/445574309.db2.gz JUOPXFAMMOISEV-VQHPVUNQSA-N 2 1 325.497 1.437 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)[C@H](C)C1 ZINC000362836809 445574310 /nfs/dbraw/zinc/57/43/10/445574310.db2.gz JUOPXFAMMOISEV-VQHPVUNQSA-N 2 1 325.497 1.437 20 0 EDADMP Cc1cc(NC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)no1 ZINC000362852316 445580775 /nfs/dbraw/zinc/58/07/75/445580775.db2.gz QEFHVORXSKKQQT-UHFFFAOYSA-N 2 1 349.479 2.301 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)[C@@H]2CCC[C@H]21 ZINC000353446748 445606191 /nfs/dbraw/zinc/60/61/91/445606191.db2.gz KOHADQOWGYEKJE-HRCADAONSA-N 2 1 348.491 1.704 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C)[NH+]1CCOCC1 ZINC000353462081 445613159 /nfs/dbraw/zinc/61/31/59/445613159.db2.gz BWPRIWXPTPOGQS-BZSNNMDCSA-N 2 1 339.524 1.874 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(N3CCOCC3)CCSC2)[C@H]2CCC[C@H]21 ZINC000353525252 445641988 /nfs/dbraw/zinc/64/19/88/445641988.db2.gz XIRKAVCVXUJKGR-XMTFNYHQSA-N 2 1 339.549 1.657 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC2)on1 ZINC000362959152 445628004 /nfs/dbraw/zinc/62/80/04/445628004.db2.gz ZLEMERGQESAUTG-KRWDZBQOSA-N 2 1 336.480 1.992 20 0 EDADMP COCCC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000363204490 445719798 /nfs/dbraw/zinc/71/97/98/445719798.db2.gz CZLOXUOBJSWQJX-SFHVURJKSA-N 2 1 333.476 1.860 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000363204490 445719802 /nfs/dbraw/zinc/71/98/02/445719802.db2.gz CZLOXUOBJSWQJX-SFHVURJKSA-N 2 1 333.476 1.860 20 0 EDADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000353688279 445708099 /nfs/dbraw/zinc/70/80/99/445708099.db2.gz WDQOZUPGUKIORH-BBRMVZONSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC[N@H+](C3CCCC3)CC2)C[C@@H](C)O1 ZINC000349884668 445711220 /nfs/dbraw/zinc/71/12/20/445711220.db2.gz RUWVMRQYZXLYKV-LMMKCTJWSA-N 2 1 339.524 1.407 20 0 EDADMP CC[N@@H+](CCOC)CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000353699705 445714748 /nfs/dbraw/zinc/71/47/48/445714748.db2.gz SSIANGAHCNPFJS-KRWDZBQOSA-N 2 1 333.476 1.860 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000353699644 445715041 /nfs/dbraw/zinc/71/50/41/445715041.db2.gz FUVNVULDEXBZAC-ZWKOTPCHSA-N 2 1 330.476 1.984 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000363083751 445671533 /nfs/dbraw/zinc/67/15/33/445671533.db2.gz AROYNZYEVYWFML-MSOLQXFVSA-N 2 1 346.475 1.411 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)nc(C)[nH+]1 ZINC000360958792 445740534 /nfs/dbraw/zinc/74/05/34/445740534.db2.gz DDYBEZDGSWEBDZ-WBVHZDCISA-N 2 1 333.480 1.765 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363286203 445752372 /nfs/dbraw/zinc/75/23/72/445752372.db2.gz FANBZTJRYGFZRW-WNHJNPCNSA-N 2 1 349.519 1.722 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000363323688 445766029 /nfs/dbraw/zinc/76/60/29/445766029.db2.gz CAQUBJDAMIESMV-QZTJIDSGSA-N 2 1 336.524 1.395 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363323688 445766033 /nfs/dbraw/zinc/76/60/33/445766033.db2.gz CAQUBJDAMIESMV-QZTJIDSGSA-N 2 1 336.524 1.395 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000363323688 445766036 /nfs/dbraw/zinc/76/60/36/445766036.db2.gz CAQUBJDAMIESMV-QZTJIDSGSA-N 2 1 336.524 1.395 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000358868667 445821128 /nfs/dbraw/zinc/82/11/28/445821128.db2.gz ZLIUEQHXWPFVBS-IXDOHACOSA-N 2 1 326.481 1.613 20 0 EDADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000358868667 445821132 /nfs/dbraw/zinc/82/11/32/445821132.db2.gz ZLIUEQHXWPFVBS-IXDOHACOSA-N 2 1 326.481 1.613 20 0 EDADMP CCOCCCNC(=[NH2+])NCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000363483994 445824581 /nfs/dbraw/zinc/82/45/81/445824581.db2.gz PIKYBQWYKURZMT-GOSISDBHSA-N 2 1 347.507 1.516 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000358804104 445782850 /nfs/dbraw/zinc/78/28/50/445782850.db2.gz IIPRFYVHDJTDEO-ZWKOTPCHSA-N 2 1 325.497 1.632 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000363389262 445783903 /nfs/dbraw/zinc/78/39/03/445783903.db2.gz IMSARHJWNQPUNY-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000363456287 445812513 /nfs/dbraw/zinc/81/25/13/445812513.db2.gz LJZIFOMMIQZSRU-QUCCMNQESA-N 2 1 331.504 1.988 20 0 EDADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000363824295 445877998 /nfs/dbraw/zinc/87/79/98/445877998.db2.gz MLTXYAXNSVMLJR-KZNAEPCWSA-N 2 1 348.491 1.286 20 0 EDADMP CC[C@]1(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000363511313 445839151 /nfs/dbraw/zinc/83/91/51/445839151.db2.gz JVENRCDDESCGSO-XLIONFOSSA-N 2 1 344.503 1.703 20 0 EDADMP CN(C)c1nc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000359099135 445944183 /nfs/dbraw/zinc/94/41/83/445944183.db2.gz OICJPGUTCLEMNU-MRXNPFEDSA-N 2 1 327.432 1.721 20 0 EDADMP CN(C)c1nc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000359099135 445944189 /nfs/dbraw/zinc/94/41/89/445944189.db2.gz OICJPGUTCLEMNU-MRXNPFEDSA-N 2 1 327.432 1.721 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(Cc3cn(-c4cc[nH+]cc4)nc3C)[C@H]2C1 ZINC000354144256 445941119 /nfs/dbraw/zinc/94/11/19/445941119.db2.gz ZCYOVCKYBMZZDR-OALUTQOASA-N 2 1 341.459 1.871 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000350732110 445891400 /nfs/dbraw/zinc/89/14/00/445891400.db2.gz JQRDRLJAIVTPQF-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C(=O)NC)cc2)C1 ZINC000354085744 445894287 /nfs/dbraw/zinc/89/42/87/445894287.db2.gz YHQFONPDXXJWNG-SFHVURJKSA-N 2 1 333.476 1.979 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000350750555 445897418 /nfs/dbraw/zinc/89/74/18/445897418.db2.gz ZETTVSRHNSEDIC-FUHWJXTLSA-N 2 1 336.524 1.203 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000350750555 445897420 /nfs/dbraw/zinc/89/74/20/445897420.db2.gz ZETTVSRHNSEDIC-FUHWJXTLSA-N 2 1 336.524 1.203 20 0 EDADMP COCC[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000361720087 445897838 /nfs/dbraw/zinc/89/78/38/445897838.db2.gz XFRXVJFHNZQXLS-XJKSGUPXSA-N 2 1 325.478 1.483 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000364221111 445902344 /nfs/dbraw/zinc/90/23/44/445902344.db2.gz NOOIKOTYOVLUHH-NTODXPRQSA-N 2 1 337.508 1.756 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@]1([NH+](C)C)CCc2ccccc21 ZINC000366032794 445973644 /nfs/dbraw/zinc/97/36/44/445973644.db2.gz JZECNUJOFRAPNQ-HEFCMCLBSA-N 2 1 327.472 1.989 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@]1([NH+](C)C)CCc2ccccc21 ZINC000366032794 445973652 /nfs/dbraw/zinc/97/36/52/445973652.db2.gz JZECNUJOFRAPNQ-HEFCMCLBSA-N 2 1 327.472 1.989 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000354178205 445974387 /nfs/dbraw/zinc/97/43/87/445974387.db2.gz JYKBFHAQCBRSHU-GVDBMIGSSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000354178205 445974393 /nfs/dbraw/zinc/97/43/93/445974393.db2.gz JYKBFHAQCBRSHU-GVDBMIGSSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000354178205 445974398 /nfs/dbraw/zinc/97/43/98/445974398.db2.gz JYKBFHAQCBRSHU-GVDBMIGSSA-N 2 1 340.512 1.061 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000356700648 445949231 /nfs/dbraw/zinc/94/92/31/445949231.db2.gz ZOFJACWQFXPHEO-MRXNPFEDSA-N 2 1 349.523 1.869 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000356700648 445949233 /nfs/dbraw/zinc/94/92/33/445949233.db2.gz ZOFJACWQFXPHEO-MRXNPFEDSA-N 2 1 349.523 1.869 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]31)CC2 ZINC000582849415 325943455 /nfs/dbraw/zinc/94/34/55/325943455.db2.gz KDEFBAYMQJJWHC-CYGHRXIMSA-N 2 1 346.475 1.464 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000583559622 326095458 /nfs/dbraw/zinc/09/54/58/326095458.db2.gz DSECFLQXPQHJMG-BHIYHBOVSA-N 2 1 334.460 1.789 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000583559622 326095462 /nfs/dbraw/zinc/09/54/62/326095462.db2.gz DSECFLQXPQHJMG-BHIYHBOVSA-N 2 1 334.460 1.789 20 0 EDADMP Cc1cnc(CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c(C)c1 ZINC000584050756 326190609 /nfs/dbraw/zinc/19/06/09/326190609.db2.gz MNWUITWBPLTJLM-UHFFFAOYSA-N 2 1 333.476 1.400 20 0 EDADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584182983 326217122 /nfs/dbraw/zinc/21/71/22/326217122.db2.gz QTXPUYVFVMUMKO-RDJZCZTQSA-N 2 1 341.883 1.762 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000351478110 446078944 /nfs/dbraw/zinc/07/89/44/446078944.db2.gz OVOOWAPJYQYVCA-QEWYBTABSA-N 2 1 349.450 1.850 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351490157 446091520 /nfs/dbraw/zinc/09/15/20/446091520.db2.gz IJHDHVYWKKPHPX-BFJAYTPKSA-N 2 1 345.443 1.844 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351490157 446091526 /nfs/dbraw/zinc/09/15/26/446091526.db2.gz IJHDHVYWKKPHPX-BFJAYTPKSA-N 2 1 345.443 1.844 20 0 EDADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)[C@@H]1C ZINC000354330856 446118457 /nfs/dbraw/zinc/11/84/57/446118457.db2.gz BEVXLBSVUHUXHL-BPQIPLTHSA-N 2 1 339.524 1.827 20 0 EDADMP C[C@@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C1CC1 ZINC000373262522 446130231 /nfs/dbraw/zinc/13/02/31/446130231.db2.gz XRSOKASWBZFZBN-GJZGRUSLSA-N 2 1 338.496 1.364 20 0 EDADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359368362 446177063 /nfs/dbraw/zinc/17/70/63/446177063.db2.gz SEOJHXUPSNBVET-IRXDYDNUSA-N 2 1 328.460 1.797 20 0 EDADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359368362 446177068 /nfs/dbraw/zinc/17/70/68/446177068.db2.gz SEOJHXUPSNBVET-IRXDYDNUSA-N 2 1 328.460 1.797 20 0 EDADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000359368362 446177070 /nfs/dbraw/zinc/17/70/70/446177070.db2.gz SEOJHXUPSNBVET-IRXDYDNUSA-N 2 1 328.460 1.797 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365390770 446184253 /nfs/dbraw/zinc/18/42/53/446184253.db2.gz KOXNBNTVQYLFKT-SJLPKXTDSA-N 2 1 347.507 1.781 20 0 EDADMP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000366407059 446197118 /nfs/dbraw/zinc/19/71/18/446197118.db2.gz DDKCXCZVUCNGHM-HUUCEWRRSA-N 2 1 329.448 1.304 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000359395702 446197889 /nfs/dbraw/zinc/19/78/89/446197889.db2.gz XPRXICGOGGYWNY-OAHLLOKOSA-N 2 1 348.516 1.855 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000359395702 446197896 /nfs/dbraw/zinc/19/78/96/446197896.db2.gz XPRXICGOGGYWNY-OAHLLOKOSA-N 2 1 348.516 1.855 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCc2ccccc2)C1 ZINC000370259331 446200407 /nfs/dbraw/zinc/20/04/07/446200407.db2.gz GBHTZGYFCFBXCB-RBUKOAKNSA-N 2 1 345.487 1.530 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCc2ccccc2)C1 ZINC000370259331 446200413 /nfs/dbraw/zinc/20/04/13/446200413.db2.gz GBHTZGYFCFBXCB-RBUKOAKNSA-N 2 1 345.487 1.530 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)C1 ZINC000370259331 446200417 /nfs/dbraw/zinc/20/04/17/446200417.db2.gz GBHTZGYFCFBXCB-RBUKOAKNSA-N 2 1 345.487 1.530 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCc2ccccc2)C1 ZINC000370259331 446200426 /nfs/dbraw/zinc/20/04/26/446200426.db2.gz GBHTZGYFCFBXCB-RBUKOAKNSA-N 2 1 345.487 1.530 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000366443160 446217081 /nfs/dbraw/zinc/21/70/81/446217081.db2.gz FXSICVBHUDJQMU-BBRMVZONSA-N 2 1 345.491 1.909 20 0 EDADMP C[C@H](CCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000370326894 446230997 /nfs/dbraw/zinc/23/09/97/446230997.db2.gz QWMFDIKPUSTUGU-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP COc1cc2c(NC[C@](C)(O)C[NH+]3CCOCC3)cc[nH+]c2cc1F ZINC000359485326 446252371 /nfs/dbraw/zinc/25/23/71/446252371.db2.gz RHZLNCBVCZAIGI-SFHVURJKSA-N 2 1 349.406 1.878 20 0 EDADMP CCOCC[C@@H](O)C[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000365623840 446277990 /nfs/dbraw/zinc/27/79/90/446277990.db2.gz DFEFPYBSARYFKY-RTBURBONSA-N 2 1 336.476 1.343 20 0 EDADMP CCOCC[C@@H](O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365623840 446277994 /nfs/dbraw/zinc/27/79/94/446277994.db2.gz DFEFPYBSARYFKY-RTBURBONSA-N 2 1 336.476 1.343 20 0 EDADMP CCOCC[C@@H](O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365623840 446277999 /nfs/dbraw/zinc/27/79/99/446277999.db2.gz DFEFPYBSARYFKY-RTBURBONSA-N 2 1 336.476 1.343 20 0 EDADMP CCOCC[C@@H](O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000365623840 446278003 /nfs/dbraw/zinc/27/80/03/446278003.db2.gz DFEFPYBSARYFKY-RTBURBONSA-N 2 1 336.476 1.343 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000359607245 446317073 /nfs/dbraw/zinc/31/70/73/446317073.db2.gz DJSUMTBIXMIBHW-OALUTQOASA-N 2 1 345.487 1.744 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000359607245 446317076 /nfs/dbraw/zinc/31/70/76/446317076.db2.gz DJSUMTBIXMIBHW-OALUTQOASA-N 2 1 345.487 1.744 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000359607245 446317078 /nfs/dbraw/zinc/31/70/78/446317078.db2.gz DJSUMTBIXMIBHW-OALUTQOASA-N 2 1 345.487 1.744 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000365738356 446323222 /nfs/dbraw/zinc/32/32/22/446323222.db2.gz PKIBXFKAINEHNE-HOCLYGCPSA-N 2 1 325.453 1.087 20 0 EDADMP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000376145245 446353197 /nfs/dbraw/zinc/35/31/97/446353197.db2.gz SODDSYHTLWKTLE-OKZBNKHCSA-N 2 1 331.460 1.616 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@H]1CCC[NH2+]C1 ZINC000417504396 446355600 /nfs/dbraw/zinc/35/56/00/446355600.db2.gz NEZSYDBNTKXTHB-RBUKOAKNSA-N 2 1 344.503 1.850 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000417511332 446357936 /nfs/dbraw/zinc/35/79/36/446357936.db2.gz YSMNGLXESQSGEV-ROUUACIJSA-N 2 1 330.476 1.554 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000417563607 446365776 /nfs/dbraw/zinc/36/57/76/446365776.db2.gz HGKOKBGAXWMYHC-WMZOPIPTSA-N 2 1 348.491 1.659 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)CCC(F)(F)F ZINC000418075512 446433316 /nfs/dbraw/zinc/43/33/16/446433316.db2.gz HBQLXEZDOKDIGJ-STQMWFEESA-N 2 1 336.402 1.512 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000418081011 446434377 /nfs/dbraw/zinc/43/43/77/446434377.db2.gz UOOZDKWAENTXOX-CHWSQXEVSA-N 2 1 338.418 1.948 20 0 EDADMP COCC[C@@]1(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000370778571 446436297 /nfs/dbraw/zinc/43/62/97/446436297.db2.gz GKPWGWZQMKZNAR-UZLBHIALSA-N 2 1 345.487 1.566 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)C1CC1 ZINC000418135213 446442496 /nfs/dbraw/zinc/44/24/96/446442496.db2.gz HRRZBRGOTPKYHK-QZTJIDSGSA-N 2 1 346.475 1.185 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC2(C[NH+](C)C)CCC2)CC1 ZINC000366991614 446449442 /nfs/dbraw/zinc/44/94/42/446449442.db2.gz SQUNKSQHTNBRBW-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417982348 446406477 /nfs/dbraw/zinc/40/64/77/446406477.db2.gz AAQCONAKNDMWKI-WMZOPIPTSA-N 2 1 348.491 1.432 20 0 EDADMP C[NH2+]CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000417984522 446407988 /nfs/dbraw/zinc/40/79/88/446407988.db2.gz GIEKOIWGCPJXKA-MSOLQXFVSA-N 2 1 346.475 1.882 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)N(C)[C@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000417989470 446408528 /nfs/dbraw/zinc/40/85/28/446408528.db2.gz LJANGGUGBMZATA-FSPWUOQZSA-N 2 1 346.475 1.962 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(C[NH3+])CC1 ZINC000418008305 446413645 /nfs/dbraw/zinc/41/36/45/446413645.db2.gz HDKIVTYYDNSOSC-QAPCUYQASA-N 2 1 330.476 1.887 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccccc1 ZINC000418190492 446454300 /nfs/dbraw/zinc/45/43/00/446454300.db2.gz WJGCXRRCJXVXHR-HOTGVXAUSA-N 2 1 334.464 1.485 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccccc1 ZINC000418190492 446454303 /nfs/dbraw/zinc/45/43/03/446454303.db2.gz WJGCXRRCJXVXHR-HOTGVXAUSA-N 2 1 334.464 1.485 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000420306599 446469245 /nfs/dbraw/zinc/46/92/45/446469245.db2.gz QMKWRKXPDCYGKQ-HBMCJLEFSA-N 2 1 340.467 1.899 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000420310979 446473940 /nfs/dbraw/zinc/47/39/40/446473940.db2.gz GKADFVCMZLOJSJ-LSDHHAIUSA-N 2 1 326.444 1.563 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000420310979 446473943 /nfs/dbraw/zinc/47/39/43/446473943.db2.gz GKADFVCMZLOJSJ-LSDHHAIUSA-N 2 1 326.444 1.563 20 0 EDADMP Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000420313822 446477125 /nfs/dbraw/zinc/47/71/25/446477125.db2.gz JKNOJDXRVSGQEJ-AEFFLSMTSA-N 2 1 330.476 1.779 20 0 EDADMP C[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000432545417 446483153 /nfs/dbraw/zinc/48/31/53/446483153.db2.gz ILEFWZUAFPSOSA-TWMKSMIVSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000432545417 446483155 /nfs/dbraw/zinc/48/31/55/446483155.db2.gz ILEFWZUAFPSOSA-TWMKSMIVSA-N 2 1 325.497 1.865 20 0 EDADMP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000420318324 446483646 /nfs/dbraw/zinc/48/36/46/446483646.db2.gz OMFYXIVEYJTZSX-BZSNNMDCSA-N 2 1 342.439 1.689 20 0 EDADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000420318324 446483652 /nfs/dbraw/zinc/48/36/52/446483652.db2.gz OMFYXIVEYJTZSX-BZSNNMDCSA-N 2 1 342.439 1.689 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420319907 446485361 /nfs/dbraw/zinc/48/53/61/446485361.db2.gz AXDKDHRJNXZAPP-ROUUACIJSA-N 2 1 345.487 1.771 20 0 EDADMP C[C@H]1CC[NH2+][C@@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000423318465 446485948 /nfs/dbraw/zinc/48/59/48/446485948.db2.gz BTHSLIUDBUMIDU-MAUKXSAKSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420322253 446487127 /nfs/dbraw/zinc/48/71/27/446487127.db2.gz SHDJSZXFTVDAJU-KGLIPLIRSA-N 2 1 325.478 1.717 20 0 EDADMP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323329 446489470 /nfs/dbraw/zinc/48/94/70/446489470.db2.gz GDECBIJPOVQZNE-IRXDYDNUSA-N 2 1 331.460 1.503 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC2([NH3+])CCCCC2)C[C@H]1CC ZINC000418296970 446490106 /nfs/dbraw/zinc/49/01/06/446490106.db2.gz MQJNWQMHWKBUQY-MRXNPFEDSA-N 2 1 340.512 1.790 20 0 EDADMP CCN(C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CCCCC1 ZINC000420323603 446488906 /nfs/dbraw/zinc/48/89/06/446488906.db2.gz GHRJACPMFJAYNL-MRXNPFEDSA-N 2 1 337.508 1.855 20 0 EDADMP CCN(C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CCCCC1 ZINC000420323603 446488909 /nfs/dbraw/zinc/48/89/09/446488909.db2.gz GHRJACPMFJAYNL-MRXNPFEDSA-N 2 1 337.508 1.855 20 0 EDADMP O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420341177 446511293 /nfs/dbraw/zinc/51/12/93/446511293.db2.gz NXVXYWZOEQAMJV-RBUKOAKNSA-N 2 1 342.487 1.015 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@H+]1C[C@@H](C)O ZINC000418356019 446512088 /nfs/dbraw/zinc/51/20/88/446512088.db2.gz GGAOAKANBGROSK-OIISXLGYSA-N 2 1 340.512 1.381 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCC[NH2+]Cc2cccnc2)C[C@H]1C ZINC000418323190 446497448 /nfs/dbraw/zinc/49/74/48/446497448.db2.gz DVBFNGXOSMHOAY-CVEARBPZSA-N 2 1 333.480 1.685 20 0 EDADMP C[C@H]([NH3+])c1ccc(C(=O)NCC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000423359118 446499660 /nfs/dbraw/zinc/49/96/60/446499660.db2.gz KHBIBNFKPXGDCH-HNNXBMFYSA-N 2 1 332.492 1.710 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343149 446516025 /nfs/dbraw/zinc/51/60/25/446516025.db2.gz RFKRLVZLFNAVPY-HDICACEKSA-N 2 1 345.487 1.730 20 0 EDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000418485761 446562496 /nfs/dbraw/zinc/56/24/96/446562496.db2.gz DHRVMPPUHMDBEP-QSFKDOLUSA-N 2 1 338.496 1.038 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)NCc2ccccc2Cl)CCCO1 ZINC000420389133 446564773 /nfs/dbraw/zinc/56/47/73/446564773.db2.gz LYKZGWJVUQUWBI-AWEZNQCLSA-N 2 1 325.840 1.396 20 0 EDADMP Fc1ccc(-c2noc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1F ZINC000420345252 446517522 /nfs/dbraw/zinc/51/75/22/446517522.db2.gz AEONAWUZJFHSAC-ZDUSSCGKSA-N 2 1 349.385 1.494 20 0 EDADMP Fc1ccc(-c2noc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1F ZINC000420345252 446517526 /nfs/dbraw/zinc/51/75/26/446517526.db2.gz AEONAWUZJFHSAC-ZDUSSCGKSA-N 2 1 349.385 1.494 20 0 EDADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)ccc2o1 ZINC000420345909 446519206 /nfs/dbraw/zinc/51/92/06/446519206.db2.gz BWLNAYYLFFUKMS-MRXNPFEDSA-N 2 1 343.427 1.699 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000418375618 446519991 /nfs/dbraw/zinc/51/99/91/446519991.db2.gz DZJRJADJJKUIEN-QGZVFWFLSA-N 2 1 340.512 1.518 20 0 EDADMP CCC[C@H]1CN(C(=O)NC2CCC([NH3+])CC2)CC[N@H+]1CCOC ZINC000418376836 446521426 /nfs/dbraw/zinc/52/14/26/446521426.db2.gz APNBNWSCHREDMA-GPANFISMSA-N 2 1 326.485 1.399 20 0 EDADMP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420347690 446523043 /nfs/dbraw/zinc/52/30/43/446523043.db2.gz ZEPULLOVYDTCPY-BHYGNILZSA-N 2 1 331.460 1.631 20 0 EDADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1cccc2ccccc21 ZINC000420349602 446528533 /nfs/dbraw/zinc/52/85/33/446528533.db2.gz PTPQSXSPXVBZRE-KRWDZBQOSA-N 2 1 338.455 1.758 20 0 EDADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1cccc2ccccc21 ZINC000420349602 446528539 /nfs/dbraw/zinc/52/85/39/446528539.db2.gz PTPQSXSPXVBZRE-KRWDZBQOSA-N 2 1 338.455 1.758 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000418399920 446529471 /nfs/dbraw/zinc/52/94/71/446529471.db2.gz XPJGHZCNKXDDNB-ZJIFWQFVSA-N 2 1 326.485 1.125 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418401458 446531015 /nfs/dbraw/zinc/53/10/15/446531015.db2.gz GOXXSQMROWPKRD-OIISXLGYSA-N 2 1 346.475 1.869 20 0 EDADMP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420352218 446531600 /nfs/dbraw/zinc/53/16/00/446531600.db2.gz ZEILGZIWJJKMQY-HKUYNNGSSA-N 2 1 344.503 1.022 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000418430879 446540898 /nfs/dbraw/zinc/54/08/98/446540898.db2.gz PLWIQIMBMXWJIB-DJIMGWMZSA-N 2 1 334.464 1.173 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423449041 446542542 /nfs/dbraw/zinc/54/25/42/446542542.db2.gz VVWBWNVDVBAPSM-CABCVRRESA-N 2 1 333.480 1.823 20 0 EDADMP [NH3+]C1CCN(CCCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000433178402 446543505 /nfs/dbraw/zinc/54/35/05/446543505.db2.gz RVAVCLOSXKHJCB-QGZVFWFLSA-N 2 1 336.524 1.524 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420364229 446545031 /nfs/dbraw/zinc/54/50/31/446545031.db2.gz KBNDYNZDFMKSSN-KRWDZBQOSA-N 2 1 339.505 1.934 20 0 EDADMP C[C@@H](Cc1cnccn1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000453118839 446545074 /nfs/dbraw/zinc/54/50/74/446545074.db2.gz JAEPNBVEAOTNNL-LPHOPBHVSA-N 2 1 326.444 1.634 20 0 EDADMP C[C@@H](Cc1cnccn1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000453118839 446545077 /nfs/dbraw/zinc/54/50/77/446545077.db2.gz JAEPNBVEAOTNNL-LPHOPBHVSA-N 2 1 326.444 1.634 20 0 EDADMP [NH3+][C@H](CNC(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000418447644 446546467 /nfs/dbraw/zinc/54/64/67/446546467.db2.gz ISHWIQMPLJJUBO-DAWZGUTISA-N 2 1 345.491 1.202 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)NCCC3CCCCC3)C2)nn1 ZINC000420375592 446553251 /nfs/dbraw/zinc/55/32/51/446553251.db2.gz IYRYQWCXTADDTB-KRWDZBQOSA-N 2 1 348.495 1.460 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)NCCC3CCCCC3)C2)nn1 ZINC000420375592 446553259 /nfs/dbraw/zinc/55/32/59/446553259.db2.gz IYRYQWCXTADDTB-KRWDZBQOSA-N 2 1 348.495 1.460 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000420375672 446553285 /nfs/dbraw/zinc/55/32/85/446553285.db2.gz JGXQFVUZIUBYOG-GDBMZVCRSA-N 2 1 349.475 1.279 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000420375672 446553292 /nfs/dbraw/zinc/55/32/92/446553292.db2.gz JGXQFVUZIUBYOG-GDBMZVCRSA-N 2 1 349.475 1.279 20 0 EDADMP O=C(NC[C@H]1CC[NH2+]C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000418528455 446581611 /nfs/dbraw/zinc/58/16/11/446581611.db2.gz SDQSTJFIVPFOOV-INIZCTEOSA-N 2 1 334.439 1.653 20 0 EDADMP O=C(NC[C@H]1CC[NH2+]C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000418528455 446581614 /nfs/dbraw/zinc/58/16/14/446581614.db2.gz SDQSTJFIVPFOOV-INIZCTEOSA-N 2 1 334.439 1.653 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418556083 446592155 /nfs/dbraw/zinc/59/21/55/446592155.db2.gz DZYFGEADTAMXKV-IAGOWNOFSA-N 3 1 339.528 1.186 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000367886003 446603784 /nfs/dbraw/zinc/60/37/84/446603784.db2.gz NARRZOYHVPWZAO-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@H](C)C1 ZINC000418674533 446644125 /nfs/dbraw/zinc/64/41/25/446644125.db2.gz OTBBKORAIPTKQW-RYRKJORJSA-N 2 1 348.491 1.563 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000423721740 446659369 /nfs/dbraw/zinc/65/93/69/446659369.db2.gz FSYYHOBQNGELOA-IBGZPJMESA-N 2 1 331.460 1.729 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418737786 446662239 /nfs/dbraw/zinc/66/22/39/446662239.db2.gz WCIAULPDGMBTCZ-NVXWUHKLSA-N 2 1 333.480 1.815 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000371089000 446621751 /nfs/dbraw/zinc/62/17/51/446621751.db2.gz PXCBAMAICLKFQQ-FSPWUOQZSA-N 2 1 328.460 1.955 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000371089000 446621753 /nfs/dbraw/zinc/62/17/53/446621753.db2.gz PXCBAMAICLKFQQ-FSPWUOQZSA-N 2 1 328.460 1.955 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000371089000 446621757 /nfs/dbraw/zinc/62/17/57/446621757.db2.gz PXCBAMAICLKFQQ-FSPWUOQZSA-N 2 1 328.460 1.955 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371089000 446621760 /nfs/dbraw/zinc/62/17/60/446621760.db2.gz PXCBAMAICLKFQQ-FSPWUOQZSA-N 2 1 328.460 1.955 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]([C@H](C)CO)C2CCCC2)CC1 ZINC000411610046 446626074 /nfs/dbraw/zinc/62/60/74/446626074.db2.gz XPNQUOZIGDXBHO-OAHLLOKOSA-N 2 1 325.497 1.601 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418637750 446628238 /nfs/dbraw/zinc/62/82/38/446628238.db2.gz OAVPQCJYLDYQGF-GOSISDBHSA-N 2 1 330.476 1.999 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCNCC2(F)F)[C@@H](C)C1 ZINC000418778848 446697472 /nfs/dbraw/zinc/69/74/72/446697472.db2.gz YXTPHGQXWHCYMD-MJBXVCDLSA-N 2 1 332.439 1.603 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@H+](C2CCC2)C1 ZINC000418805698 446713211 /nfs/dbraw/zinc/71/32/11/446713211.db2.gz XYPMSBMVGCMHDC-YLFCFFPRSA-N 2 1 334.508 1.890 20 0 EDADMP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000376817327 446736793 /nfs/dbraw/zinc/73/67/93/446736793.db2.gz AWNXKNJLRHDEAN-YESZJQIVSA-N 2 1 349.500 1.666 20 0 EDADMP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000376817327 446736801 /nfs/dbraw/zinc/73/68/01/446736801.db2.gz AWNXKNJLRHDEAN-YESZJQIVSA-N 2 1 349.500 1.666 20 0 EDADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000418758905 446679040 /nfs/dbraw/zinc/67/90/40/446679040.db2.gz IYCUVFARHKZBPU-QGZVFWFLSA-N 2 1 347.507 1.100 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000423749971 446680724 /nfs/dbraw/zinc/68/07/24/446680724.db2.gz WXALBOUHDILAGN-DLBZAZTESA-N 2 1 334.508 1.005 20 0 EDADMP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000371303670 446759951 /nfs/dbraw/zinc/75/99/51/446759951.db2.gz PRSFVOMYMLNISU-INIZCTEOSA-N 2 1 336.505 1.028 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](O)C1CCCCC1 ZINC000437826975 446763311 /nfs/dbraw/zinc/76/33/11/446763311.db2.gz FCZHLRJAYWSRFF-QZTJIDSGSA-N 2 1 339.524 1.802 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000371337476 446786344 /nfs/dbraw/zinc/78/63/44/446786344.db2.gz XEKOBXJKLVQIPE-UHFFFAOYSA-N 2 1 349.523 1.894 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000371337476 446786349 /nfs/dbraw/zinc/78/63/49/446786349.db2.gz XEKOBXJKLVQIPE-UHFFFAOYSA-N 2 1 349.523 1.894 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000419016256 446867966 /nfs/dbraw/zinc/86/79/66/446867966.db2.gz FRNWEBXCVPNFCV-PBHICJAKSA-N 2 1 346.475 1.011 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)CN1CCn2ccnc2C1 ZINC000368482480 446890307 /nfs/dbraw/zinc/89/03/07/446890307.db2.gz NHLKQFQBYYUYGF-ZBFHGGJFSA-N 2 1 345.491 1.324 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000368482480 446890316 /nfs/dbraw/zinc/89/03/16/446890316.db2.gz NHLKQFQBYYUYGF-ZBFHGGJFSA-N 2 1 345.491 1.324 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000368482480 446890318 /nfs/dbraw/zinc/89/03/18/446890318.db2.gz NHLKQFQBYYUYGF-ZBFHGGJFSA-N 2 1 345.491 1.324 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000368482480 446890323 /nfs/dbraw/zinc/89/03/23/446890323.db2.gz NHLKQFQBYYUYGF-ZBFHGGJFSA-N 2 1 345.491 1.324 20 0 EDADMP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442776998 446966322 /nfs/dbraw/zinc/96/63/22/446966322.db2.gz IAHXIHDETVBTMX-IIAWOOMASA-N 2 1 347.459 1.174 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000454947831 447011523 /nfs/dbraw/zinc/01/15/23/447011523.db2.gz VATGOALURBFAPA-OFQRWUPVSA-N 2 1 336.484 1.052 20 0 EDADMP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000375741150 447015168 /nfs/dbraw/zinc/01/51/68/447015168.db2.gz CNZPTGATTULWON-LVGQOLGVSA-N 2 1 335.492 1.331 20 0 EDADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000420995933 446974500 /nfs/dbraw/zinc/97/45/00/446974500.db2.gz AJVCNAGSGXUDDS-YCPHGPKFSA-N 2 1 326.481 1.741 20 0 EDADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000420995933 446974504 /nfs/dbraw/zinc/97/45/04/446974504.db2.gz AJVCNAGSGXUDDS-YCPHGPKFSA-N 2 1 326.481 1.741 20 0 EDADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000420995933 446974510 /nfs/dbraw/zinc/97/45/10/446974510.db2.gz AJVCNAGSGXUDDS-YCPHGPKFSA-N 2 1 326.481 1.741 20 0 EDADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000420995933 446974519 /nfs/dbraw/zinc/97/45/19/446974519.db2.gz AJVCNAGSGXUDDS-YCPHGPKFSA-N 2 1 326.481 1.741 20 0 EDADMP C[N@H+]1CCCC12CCN(CCN1C(=O)NC3(CCCC3)C1=O)CC2 ZINC000377200129 446988945 /nfs/dbraw/zinc/98/89/45/446988945.db2.gz XAUWNMJUJWXYPM-UHFFFAOYSA-N 2 1 334.464 1.411 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000443058947 446999477 /nfs/dbraw/zinc/99/94/77/446999477.db2.gz OUEQMBMFGHUNQB-CRAIPNDOSA-N 2 1 349.450 1.786 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000444393313 447100836 /nfs/dbraw/zinc/10/08/36/447100836.db2.gz QDMPZJKREVKUGS-IRXDYDNUSA-N 2 1 347.503 1.811 20 0 EDADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000444393313 447100839 /nfs/dbraw/zinc/10/08/39/447100839.db2.gz QDMPZJKREVKUGS-IRXDYDNUSA-N 2 1 347.503 1.811 20 0 EDADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000444393313 447100846 /nfs/dbraw/zinc/10/08/46/447100846.db2.gz QDMPZJKREVKUGS-IRXDYDNUSA-N 2 1 347.503 1.811 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cn2cc[nH+]c12 ZINC000421307947 447121363 /nfs/dbraw/zinc/12/13/63/447121363.db2.gz PPZLEBNNODJXLL-AWEZNQCLSA-N 2 1 329.404 1.134 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cn2cc[nH+]c12 ZINC000421307947 447121371 /nfs/dbraw/zinc/12/13/71/447121371.db2.gz PPZLEBNNODJXLL-AWEZNQCLSA-N 2 1 329.404 1.134 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444174460 447087614 /nfs/dbraw/zinc/08/76/14/447087614.db2.gz XBQVMMFUTUVNBH-MJGOQNOKSA-N 2 1 329.444 1.135 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000444383001 447097982 /nfs/dbraw/zinc/09/79/82/447097982.db2.gz QTSWQCSXBDYNFG-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c[nH]c(C(=O)OC)c3)CC2)CC1 ZINC000421372635 447144855 /nfs/dbraw/zinc/14/48/55/447144855.db2.gz LEOXBQSXWHIWRP-UHFFFAOYSA-N 2 1 348.491 1.793 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000419404383 447154421 /nfs/dbraw/zinc/15/44/21/447154421.db2.gz GDGHKTLNWFQFSK-HOCLYGCPSA-N 2 1 338.496 1.001 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000425473154 447180353 /nfs/dbraw/zinc/18/03/53/447180353.db2.gz XEVJUPYFRTWVED-CVEARBPZSA-N 2 1 340.512 1.467 20 0 EDADMP COC1(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CCOCC1 ZINC000368897633 447187374 /nfs/dbraw/zinc/18/73/74/447187374.db2.gz RZDLJYKSSPOAPN-KRWDZBQOSA-N 2 1 325.497 1.284 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2C[C@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000419458036 447192417 /nfs/dbraw/zinc/19/24/17/447192417.db2.gz YHUYRDQNERTWOK-YESZJQIVSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H]1COCCN1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425505369 447198626 /nfs/dbraw/zinc/19/86/26/447198626.db2.gz YIWNNNJDOUQJHC-YZGWKJHDSA-N 2 1 329.488 1.913 20 0 EDADMP C[C@@H]1COCCN1CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425505369 447198633 /nfs/dbraw/zinc/19/86/33/447198633.db2.gz YIWNNNJDOUQJHC-YZGWKJHDSA-N 2 1 329.488 1.913 20 0 EDADMP C[C@@H]1COCCN1CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425505369 447198641 /nfs/dbraw/zinc/19/86/41/447198641.db2.gz YIWNNNJDOUQJHC-YZGWKJHDSA-N 2 1 329.488 1.913 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C ZINC000419428621 447169615 /nfs/dbraw/zinc/16/96/15/447169615.db2.gz ATLVZKVXXGCGPO-QZWWFDLISA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419428621 447169620 /nfs/dbraw/zinc/16/96/20/447169620.db2.gz ATLVZKVXXGCGPO-QZWWFDLISA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419428621 447169623 /nfs/dbraw/zinc/16/96/23/447169623.db2.gz ATLVZKVXXGCGPO-QZWWFDLISA-N 2 1 340.512 1.203 20 0 EDADMP OC[C@H]1CCCC[NH+](CCOCC[N@@H+]2CCCC[C@H](CO)C2)C1 ZINC000372704098 447235275 /nfs/dbraw/zinc/23/52/75/447235275.db2.gz QYGOBPAXMOLVLQ-ROUUACIJSA-N 2 1 328.497 1.192 20 0 EDADMP CCC[C@@]1(CO)CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000377601685 447235680 /nfs/dbraw/zinc/23/56/80/447235680.db2.gz AODWHYPLVIIPFQ-GOSISDBHSA-N 2 1 325.497 1.460 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cccc4nccn43)C2)CC1 ZINC000377630817 447256887 /nfs/dbraw/zinc/25/68/87/447256887.db2.gz TUNSMORZRQXRPX-QGZVFWFLSA-N 2 1 327.476 1.794 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377634470 447261878 /nfs/dbraw/zinc/26/18/78/447261878.db2.gz XNWLPSMDZCTVMH-SJLPKXTDSA-N 2 1 344.507 1.287 20 0 EDADMP CC1CC[NH+](CCCNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369028374 447274867 /nfs/dbraw/zinc/27/48/67/447274867.db2.gz QATMHYODUKGBQP-IRXDYDNUSA-N 2 1 338.496 1.271 20 0 EDADMP O=C(CN1CC[NH2+]CC1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379648245 447453752 /nfs/dbraw/zinc/45/37/52/447453752.db2.gz AGRDGOJMVQYWLT-SFHVURJKSA-N 2 1 330.476 1.063 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450353506 447465929 /nfs/dbraw/zinc/46/59/29/447465929.db2.gz FZPGLNQFUGVHPX-PKOBYXMFSA-N 2 1 347.503 1.637 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000389931409 447488852 /nfs/dbraw/zinc/48/88/52/447488852.db2.gz LEAIMYLHOZEOBK-MAUKXSAKSA-N 2 1 331.460 1.392 20 0 EDADMP CC(C)[NH+](CCCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)C(C)C ZINC000422366491 447507040 /nfs/dbraw/zinc/50/70/40/447507040.db2.gz PTQHRQPWWPDTDX-INIZCTEOSA-N 2 1 340.512 1.164 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000458939001 447510283 /nfs/dbraw/zinc/51/02/83/447510283.db2.gz PQGQTYWLYVVUNS-IRXDYDNUSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495913360 447639397 /nfs/dbraw/zinc/63/93/97/447639397.db2.gz QBSIRCTUSQDCQR-SJLPKXTDSA-N 2 1 336.480 1.133 20 0 EDADMP CCO[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)C1 ZINC000459153674 447598438 /nfs/dbraw/zinc/59/84/38/447598438.db2.gz JIROHQXBYAWRCK-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420117567 447612750 /nfs/dbraw/zinc/61/27/50/447612750.db2.gz HSXRPMJJVYXCFP-WMLDXEAASA-N 2 1 346.475 1.121 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420117567 447612755 /nfs/dbraw/zinc/61/27/55/447612755.db2.gz HSXRPMJJVYXCFP-WMLDXEAASA-N 2 1 346.475 1.121 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000416868648 447699331 /nfs/dbraw/zinc/69/93/31/447699331.db2.gz MBLPVCSRRRRDAP-OWCLPIDISA-N 2 1 326.485 1.112 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000416867930 447699562 /nfs/dbraw/zinc/69/95/62/447699562.db2.gz DKKJMVNDYCUQBK-QGZVFWFLSA-N 2 1 334.464 1.268 20 0 EDADMP C[N@@H+](CCCNC(=O)N[C@H](CC[NH3+])C(F)F)Cc1ccccc1 ZINC000416874311 447700568 /nfs/dbraw/zinc/70/05/68/447700568.db2.gz PHNPGKKFJUTJSV-CQSZACIVSA-N 2 1 328.407 1.790 20 0 EDADMP CC(C)(CC[NH3+])NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000422623635 447675059 /nfs/dbraw/zinc/67/50/59/447675059.db2.gz XCHAQHIUYNNGTI-INIZCTEOSA-N 2 1 334.464 1.180 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCCCN(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000422632325 447679216 /nfs/dbraw/zinc/67/92/16/447679216.db2.gz GQTXNDMBKXZTOK-KZNAEPCWSA-N 2 1 346.519 1.934 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCCCN(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000422632325 447679221 /nfs/dbraw/zinc/67/92/21/447679221.db2.gz GQTXNDMBKXZTOK-KZNAEPCWSA-N 2 1 346.519 1.934 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000422632994 447680746 /nfs/dbraw/zinc/68/07/46/447680746.db2.gz HQHTULHFKTXRPN-KFWWJZLASA-N 2 1 337.439 1.626 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000422632994 447680750 /nfs/dbraw/zinc/68/07/50/447680750.db2.gz HQHTULHFKTXRPN-KFWWJZLASA-N 2 1 337.439 1.626 20 0 EDADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422635566 447681549 /nfs/dbraw/zinc/68/15/49/447681549.db2.gz LOCGIPVMFCMBCI-FZKCQIBNSA-N 2 1 339.480 1.236 20 0 EDADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422635566 447681553 /nfs/dbraw/zinc/68/15/53/447681553.db2.gz LOCGIPVMFCMBCI-FZKCQIBNSA-N 2 1 339.480 1.236 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(C[NH3+])CC2)C[C@@H](C)O1 ZINC000416922860 447709973 /nfs/dbraw/zinc/70/99/73/447709973.db2.gz PMFVVOORISCHNC-ZIAGYGMSSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000416931089 447713861 /nfs/dbraw/zinc/71/38/61/447713861.db2.gz MBERBSZLRWXUMG-KBPBESRZSA-N 2 1 326.485 1.316 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)CC1 ZINC000496126276 447717685 /nfs/dbraw/zinc/71/76/85/447717685.db2.gz GDYCRXQTPJSDDK-KRWDZBQOSA-N 2 1 340.512 1.565 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000416943724 447720100 /nfs/dbraw/zinc/72/01/00/447720100.db2.gz CSIOPFUMXYYSQH-OAHLLOKOSA-N 2 1 327.517 1.075 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000416950445 447723503 /nfs/dbraw/zinc/72/35/03/447723503.db2.gz RFUVNBKZHMRBLX-HLLBOEOZSA-N 2 1 326.485 1.175 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000416951840 447723680 /nfs/dbraw/zinc/72/36/80/447723680.db2.gz SEQFQTKRPHJMKY-OWCLPIDISA-N 2 1 326.485 1.175 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000458174403 447736285 /nfs/dbraw/zinc/73/62/85/447736285.db2.gz SHZVMGOEGAWPNR-KRWDZBQOSA-N 2 1 337.508 1.870 20 0 EDADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000422789667 447750308 /nfs/dbraw/zinc/75/03/08/447750308.db2.gz OUPCAIUZHUZKJE-KSSFIOAISA-N 2 1 327.428 1.599 20 0 EDADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000422820618 447759521 /nfs/dbraw/zinc/75/95/21/447759521.db2.gz RKTAWOQFLUATKI-ZFWWWQNUSA-N 2 1 325.478 1.415 20 0 EDADMP CCOCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471845854 447815569 /nfs/dbraw/zinc/81/55/69/447815569.db2.gz MCVIFIGMLIYREK-RTBURBONSA-N 2 1 347.503 1.811 20 0 EDADMP CCOCCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471845854 447815572 /nfs/dbraw/zinc/81/55/72/447815572.db2.gz MCVIFIGMLIYREK-RTBURBONSA-N 2 1 347.503 1.811 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCCN(C)c2ccccc2)C1 ZINC000430561734 447779944 /nfs/dbraw/zinc/77/99/44/447779944.db2.gz ABKURJHGUPLFAJ-IAGOWNOFSA-N 2 1 332.492 1.688 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCCN(C)c2ccccc2)C1 ZINC000430561734 447779948 /nfs/dbraw/zinc/77/99/48/447779948.db2.gz ABKURJHGUPLFAJ-IAGOWNOFSA-N 2 1 332.492 1.688 20 0 EDADMP FC(F)COc1ncccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423025088 447793095 /nfs/dbraw/zinc/79/30/95/447793095.db2.gz NMIBBUDZGHHHFZ-RRFJBIMHSA-N 2 1 341.402 1.972 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)CC[N@H+]1C[C@H](C)O ZINC000462005195 447797584 /nfs/dbraw/zinc/79/75/84/447797584.db2.gz FKYNZEZKTFQWTJ-JYJNAYRXSA-N 2 1 328.501 1.202 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC[NH+]1C[C@H](C)O ZINC000462005195 447797588 /nfs/dbraw/zinc/79/75/88/447797588.db2.gz FKYNZEZKTFQWTJ-JYJNAYRXSA-N 2 1 328.501 1.202 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC[NH+]1C[C@H](C)O ZINC000462005195 447797591 /nfs/dbraw/zinc/79/75/91/447797591.db2.gz FKYNZEZKTFQWTJ-JYJNAYRXSA-N 2 1 328.501 1.202 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000489326856 447854815 /nfs/dbraw/zinc/85/48/15/447854815.db2.gz KPOLEOCXRHTBML-IRXDYDNUSA-N 2 1 325.497 1.578 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000489388585 447855150 /nfs/dbraw/zinc/85/51/50/447855150.db2.gz GQWLIRJKPFMIRV-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000489388585 447855151 /nfs/dbraw/zinc/85/51/51/447855151.db2.gz GQWLIRJKPFMIRV-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000489388585 447855152 /nfs/dbraw/zinc/85/51/52/447855152.db2.gz GQWLIRJKPFMIRV-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000496761530 447890346 /nfs/dbraw/zinc/89/03/46/447890346.db2.gz WWUQMRHXKGHEBQ-GJZGRUSLSA-N 2 1 341.496 1.819 20 0 EDADMP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000575805975 447902285 /nfs/dbraw/zinc/90/22/85/447902285.db2.gz SCMFUQBSTGJSNQ-OAHLLOKOSA-N 2 1 332.354 1.926 20 0 EDADMP CC(C)[N@H+]1CCCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000497204630 447956637 /nfs/dbraw/zinc/95/66/37/447956637.db2.gz XQYBDRXIPGSLFW-SFHVURJKSA-N 2 1 336.480 1.277 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000524954785 447960940 /nfs/dbraw/zinc/96/09/40/447960940.db2.gz LWXWXIVUHWHSTP-NZSAHSFTSA-N 2 1 347.503 1.978 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000524954785 447960945 /nfs/dbraw/zinc/96/09/45/447960945.db2.gz LWXWXIVUHWHSTP-NZSAHSFTSA-N 2 1 347.503 1.978 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CC[NH+](C)C3)c2)CCO1 ZINC000524300324 447924859 /nfs/dbraw/zinc/92/48/59/447924859.db2.gz KYOVRTVWXYFESJ-YJBOKZPZSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CC[NH+](C)C3)c2)CCO1 ZINC000524300324 447924864 /nfs/dbraw/zinc/92/48/64/447924864.db2.gz KYOVRTVWXYFESJ-YJBOKZPZSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)[C@H]3CC[N@H+](C)C3)c2)CCO1 ZINC000524300324 447924868 /nfs/dbraw/zinc/92/48/68/447924868.db2.gz KYOVRTVWXYFESJ-YJBOKZPZSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)c2)CCO1 ZINC000524300324 447924875 /nfs/dbraw/zinc/92/48/75/447924875.db2.gz KYOVRTVWXYFESJ-YJBOKZPZSA-N 2 1 331.460 1.475 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000524371910 447927259 /nfs/dbraw/zinc/92/72/59/447927259.db2.gz WLJIYRLJYIPUKH-IEBWSBKVSA-N 2 1 331.460 1.176 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000531058153 448010582 /nfs/dbraw/zinc/01/05/82/448010582.db2.gz JECXJHPETWRVSG-GOSISDBHSA-N 2 1 344.503 1.657 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C[NH+]1CCCCC1 ZINC000570423539 448010658 /nfs/dbraw/zinc/01/06/58/448010658.db2.gz KXJFIHUPQZLMSG-WMZOPIPTSA-N 2 1 345.491 1.860 20 0 EDADMP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000576105280 447973238 /nfs/dbraw/zinc/97/32/38/447973238.db2.gz SMQFPCGCIVEDQF-SJLPKXTDSA-N 2 1 330.476 1.265 20 0 EDADMP CC(C)C[C@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000531294584 448057054 /nfs/dbraw/zinc/05/70/54/448057054.db2.gz OWZLYRHRHMQGAL-QUCCMNQESA-N 2 1 347.503 1.716 20 0 EDADMP C[C@H](NC(=O)CC(F)(F)C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570733434 448057268 /nfs/dbraw/zinc/05/72/68/448057268.db2.gz NUJXAOLARLJJIH-ZFWWWQNUSA-N 2 1 325.403 1.997 20 0 EDADMP C[C@H](NC(=O)CC(F)(F)C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570733434 448057271 /nfs/dbraw/zinc/05/72/71/448057271.db2.gz NUJXAOLARLJJIH-ZFWWWQNUSA-N 2 1 325.403 1.997 20 0 EDADMP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000497263505 448017312 /nfs/dbraw/zinc/01/73/12/448017312.db2.gz TYSDGQHMBAGLRH-QGZVFWFLSA-N 2 1 327.469 1.479 20 0 EDADMP CC[N@@H+]1CC[C@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)[C@@H](C)C1 ZINC000555788489 448090024 /nfs/dbraw/zinc/09/00/24/448090024.db2.gz JQNGIQKTBPETPO-KSSFIOAISA-N 2 1 330.476 1.672 20 0 EDADMP CC[N@H+]1CC[C@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)[C@@H](C)C1 ZINC000555788489 448090028 /nfs/dbraw/zinc/09/00/28/448090028.db2.gz JQNGIQKTBPETPO-KSSFIOAISA-N 2 1 330.476 1.672 20 0 EDADMP CC[NH+]1CC[C@H](Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)[C@@H](C)C1 ZINC000555788489 448090032 /nfs/dbraw/zinc/09/00/32/448090032.db2.gz JQNGIQKTBPETPO-KSSFIOAISA-N 2 1 330.476 1.672 20 0 EDADMP CC[NH+]1CC[C@H](Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)[C@@H](C)C1 ZINC000555788489 448090038 /nfs/dbraw/zinc/09/00/38/448090038.db2.gz JQNGIQKTBPETPO-KSSFIOAISA-N 2 1 330.476 1.672 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)[N@@H+](C)C1 ZINC000501742044 448096355 /nfs/dbraw/zinc/09/63/55/448096355.db2.gz AAMWXXATCONZFM-VGWMRTNUSA-N 2 1 326.485 1.220 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@H]2C1 ZINC000502652934 448102937 /nfs/dbraw/zinc/10/29/37/448102937.db2.gz RGCFBUMTNJOLAJ-RCCFBDPRSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000531625051 448118184 /nfs/dbraw/zinc/11/81/84/448118184.db2.gz XHBBDIXNHGVOPL-HNNXBMFYSA-N 2 1 338.496 1.005 20 0 EDADMP CC(C)(C)c1ccc(OCCC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000571298603 448132041 /nfs/dbraw/zinc/13/20/41/448132041.db2.gz GEHNIROTHAGOOJ-AEFFLSMTSA-N 2 1 345.487 1.997 20 0 EDADMP CC(C)(C)c1ccc(OCCC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000571298603 448132047 /nfs/dbraw/zinc/13/20/47/448132047.db2.gz GEHNIROTHAGOOJ-AEFFLSMTSA-N 2 1 345.487 1.997 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000576758335 448133189 /nfs/dbraw/zinc/13/31/89/448133189.db2.gz NBWMZICYAZQQEL-LSDHHAIUSA-N 3 1 331.464 1.680 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](C)C1 ZINC000571311733 448134097 /nfs/dbraw/zinc/13/40/97/448134097.db2.gz ZNVNDYNRBRVPTB-UONOGXRCSA-N 2 1 340.512 1.392 20 0 EDADMP Cc1cc(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(C)[nH]1 ZINC000507368658 448141119 /nfs/dbraw/zinc/14/11/19/448141119.db2.gz QARWIUQONUEWSC-UHFFFAOYSA-N 2 1 334.464 1.204 20 0 EDADMP O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@H]1CCC[NH+]1C1CC1 ZINC000557024300 448176108 /nfs/dbraw/zinc/17/61/08/448176108.db2.gz UQWWYQVDWGWFDE-ZWKOTPCHSA-N 2 1 329.444 1.819 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)/C=C\C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000492104387 448180934 /nfs/dbraw/zinc/18/09/34/448180934.db2.gz SXKYKWXKOZROCS-YKZUCCNHSA-N 2 1 337.508 1.842 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C[NH3+])C2)[C@H](C)C1 ZINC000577047283 448199638 /nfs/dbraw/zinc/19/96/38/448199638.db2.gz QNHRULFQXIPRBP-IKGGRYGDSA-N 2 1 340.512 1.504 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc2F)CC1 ZINC000571885346 448226860 /nfs/dbraw/zinc/22/68/60/448226860.db2.gz KMDOLQQRGQSAIL-UONOGXRCSA-N 2 1 336.455 1.823 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H](N)c1cscn1 ZINC000582414553 448229672 /nfs/dbraw/zinc/22/96/72/448229672.db2.gz DSZMCHAGBIOZFB-IVMMDQJWSA-N 2 1 330.457 1.780 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)[N@@H+](C)C1 ZINC000515402842 448308462 /nfs/dbraw/zinc/30/84/62/448308462.db2.gz HFFDQWUTDXDTOR-KKUMJFAQSA-N 2 1 326.485 1.125 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000515851829 448358205 /nfs/dbraw/zinc/35/82/05/448358205.db2.gz INLBMMAXRJYJMK-JYJNAYRXSA-N 2 1 333.480 1.685 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000577831572 448395439 /nfs/dbraw/zinc/39/54/39/448395439.db2.gz CMVDDJMOAAPMOP-JFIYKMOQSA-N 2 1 330.476 1.806 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000566199625 448413777 /nfs/dbraw/zinc/41/37/77/448413777.db2.gz VPAFWBVIFITVMK-QAPCUYQASA-N 2 1 330.476 1.879 20 0 EDADMP CCC[C@@H]1CN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000572647265 448431244 /nfs/dbraw/zinc/43/12/44/448431244.db2.gz GVDMZXGSGJBPSL-OKZBNKHCSA-N 2 1 339.524 1.972 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000578120071 448464964 /nfs/dbraw/zinc/46/49/64/448464964.db2.gz LKDAAZAPIJJOFE-CRAIPNDOSA-N 2 1 346.475 1.681 20 0 EDADMP C[C@@H]1C[C@H](CC[NH2+]CCC(=O)NC(N)=O)C[N@H+]1Cc1ccccc1 ZINC000591757049 448483011 /nfs/dbraw/zinc/48/30/11/448483011.db2.gz TXAQEWMQXBCXSG-ZBFHGGJFSA-N 2 1 332.448 1.462 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC[N@H+]1CCOC ZINC000584400519 448511594 /nfs/dbraw/zinc/51/15/94/448511594.db2.gz RQKLIJAUCRMZOT-KGLIPLIRSA-N 2 1 348.438 1.126 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000578350852 448524906 /nfs/dbraw/zinc/52/49/06/448524906.db2.gz OVNNRAIFVDMPDS-HLLBOEOZSA-N 2 1 337.489 1.379 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000578350852 448524908 /nfs/dbraw/zinc/52/49/08/448524908.db2.gz OVNNRAIFVDMPDS-HLLBOEOZSA-N 2 1 337.489 1.379 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnc3cccnn32)CC1 ZINC000584534037 448561464 /nfs/dbraw/zinc/56/14/64/448561464.db2.gz YMNZXCRAWOSQKW-UHFFFAOYSA-N 2 1 337.387 1.128 20 0 EDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000528532328 448572909 /nfs/dbraw/zinc/57/29/09/448572909.db2.gz VNGXTIBPUGGICB-JAPOXJDPSA-N 2 1 337.508 1.673 20 0 EDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000528532328 448572914 /nfs/dbraw/zinc/57/29/14/448572914.db2.gz VNGXTIBPUGGICB-JAPOXJDPSA-N 2 1 337.508 1.673 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)COc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000573090687 448541743 /nfs/dbraw/zinc/54/17/43/448541743.db2.gz JGIPZNVJXXRJAP-CVEARBPZSA-N 2 1 326.412 1.002 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000573119512 448549563 /nfs/dbraw/zinc/54/95/63/448549563.db2.gz ZKDFMIRFYFASBW-WMZOPIPTSA-N 2 1 334.439 1.454 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000573119512 448549565 /nfs/dbraw/zinc/54/95/65/448549565.db2.gz ZKDFMIRFYFASBW-WMZOPIPTSA-N 2 1 334.439 1.454 20 0 EDADMP Cc1ncc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C)n1 ZINC000539632005 448618219 /nfs/dbraw/zinc/61/82/19/448618219.db2.gz CTTMLBWLZRWNIM-UHFFFAOYSA-N 2 1 326.404 1.493 20 0 EDADMP CC[NH+]1CCC(CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000578584321 448583012 /nfs/dbraw/zinc/58/30/12/448583012.db2.gz KWMKLLAGMMHMOQ-UHFFFAOYSA-N 2 1 340.512 1.207 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528723892 448645650 /nfs/dbraw/zinc/64/56/50/448645650.db2.gz ZHXAQULVNHZFPP-HNNXBMFYSA-N 2 1 334.420 1.011 20 0 EDADMP C[NH+](C)[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)C1CCCCC1 ZINC000540921528 448654508 /nfs/dbraw/zinc/65/45/08/448654508.db2.gz MYYKWPBGMVMCOG-MRXNPFEDSA-N 2 1 333.480 2.236 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccnc(N(C)C)n3)C2)CC1 ZINC000541236286 448668391 /nfs/dbraw/zinc/66/83/91/448668391.db2.gz ALKNOLDHPVOYSA-KRWDZBQOSA-N 2 1 332.496 1.143 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccnc(N(C)C)n3)C2)CC1 ZINC000541236286 448668395 /nfs/dbraw/zinc/66/83/95/448668395.db2.gz ALKNOLDHPVOYSA-KRWDZBQOSA-N 2 1 332.496 1.143 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000567350389 448672912 /nfs/dbraw/zinc/67/29/12/448672912.db2.gz DWZMYFNXCZBIBF-INIZCTEOSA-N 2 1 345.422 1.387 20 0 EDADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000567353040 448673862 /nfs/dbraw/zinc/67/38/62/448673862.db2.gz YCVPPZGHVRCIID-UONOGXRCSA-N 2 1 344.883 1.681 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000578994905 448688821 /nfs/dbraw/zinc/68/88/21/448688821.db2.gz ZCSBTWHVTPBMSX-UHFFFAOYSA-N 2 1 340.512 1.009 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000518733152 448703119 /nfs/dbraw/zinc/70/31/19/448703119.db2.gz USVVRCCYQFHTRF-GOEBONIOSA-N 2 1 332.448 1.445 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000518733152 448703124 /nfs/dbraw/zinc/70/31/24/448703124.db2.gz USVVRCCYQFHTRF-GOEBONIOSA-N 2 1 332.448 1.445 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000573821123 448723646 /nfs/dbraw/zinc/72/36/46/448723646.db2.gz XPLSPXATOMLTGT-OAGGEKHMSA-N 2 1 326.485 1.447 20 0 EDADMP COC(=O)CCCN1CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000519044501 448735284 /nfs/dbraw/zinc/73/52/84/448735284.db2.gz XSLALVWQMJQKRX-MRXNPFEDSA-N 2 1 325.497 1.724 20 0 EDADMP COC(=O)CCC[NH+]1CCC(NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000519044501 448735289 /nfs/dbraw/zinc/73/52/89/448735289.db2.gz XSLALVWQMJQKRX-MRXNPFEDSA-N 2 1 325.497 1.724 20 0 EDADMP COC(=O)CCC[NH+]1CCC(NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000519044501 448735293 /nfs/dbraw/zinc/73/52/93/448735293.db2.gz XSLALVWQMJQKRX-MRXNPFEDSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000567718493 448748088 /nfs/dbraw/zinc/74/80/88/448748088.db2.gz BZMDKNIEMBRZKC-JZXOWHBKSA-N 2 1 339.524 1.968 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000567718493 448748092 /nfs/dbraw/zinc/74/80/92/448748092.db2.gz BZMDKNIEMBRZKC-JZXOWHBKSA-N 2 1 339.524 1.968 20 0 EDADMP C[NH2+]C[C@](C)(O)CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000568049950 448807636 /nfs/dbraw/zinc/80/76/36/448807636.db2.gz ANSTXDRHGUPYAL-KRWDZBQOSA-N 2 1 325.884 1.818 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(O)(C[NH3+])CC2)cc1)C1CC1 ZINC000519601042 448796747 /nfs/dbraw/zinc/79/67/47/448796747.db2.gz MVDVMXMRWMVIGS-UHFFFAOYSA-N 2 1 331.460 1.597 20 0 EDADMP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000568375458 448863839 /nfs/dbraw/zinc/86/38/39/448863839.db2.gz OERPYJNYCAAEIW-YOEHRIQHSA-N 2 1 348.495 1.459 20 0 EDADMP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000568375458 448863846 /nfs/dbraw/zinc/86/38/46/448863846.db2.gz OERPYJNYCAAEIW-YOEHRIQHSA-N 2 1 348.495 1.459 20 0 EDADMP COC(=O)c1cn([C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)nn1 ZINC000592495614 448863799 /nfs/dbraw/zinc/86/37/99/448863799.db2.gz NFMZTVKZJWGHAO-OAHLLOKOSA-N 2 1 335.452 1.481 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(Cn4ccnc4)cc3)C[C@@H]21 ZINC000574528351 448896401 /nfs/dbraw/zinc/89/64/01/448896401.db2.gz BCQZATWDFXPTOH-MSOLQXFVSA-N 2 1 339.443 1.777 20 0 EDADMP CC[C@@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000574548842 448900972 /nfs/dbraw/zinc/90/09/72/448900972.db2.gz MWWAQWPEBOOJNQ-RCCFBDPRSA-N 2 1 346.475 1.409 20 0 EDADMP CC[C@@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000574548842 448900976 /nfs/dbraw/zinc/90/09/76/448900976.db2.gz MWWAQWPEBOOJNQ-RCCFBDPRSA-N 2 1 346.475 1.409 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)n1C ZINC000574590684 448910560 /nfs/dbraw/zinc/91/05/60/448910560.db2.gz KDTZDUNSJPAPNU-AWEZNQCLSA-N 2 1 334.468 1.302 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)n1C ZINC000574590684 448910565 /nfs/dbraw/zinc/91/05/65/448910565.db2.gz KDTZDUNSJPAPNU-AWEZNQCLSA-N 2 1 334.468 1.302 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000520351659 448886418 /nfs/dbraw/zinc/88/64/18/448886418.db2.gz PDGQWQNTPHNKRF-GOSISDBHSA-N 2 1 330.476 1.848 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000520351659 448886422 /nfs/dbraw/zinc/88/64/22/448886422.db2.gz PDGQWQNTPHNKRF-GOSISDBHSA-N 2 1 330.476 1.848 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000574904558 448986232 /nfs/dbraw/zinc/98/62/32/448986232.db2.gz DYOWNVYPHMQYRN-QAPCUYQASA-N 2 1 346.475 1.681 20 0 EDADMP CN(CCC[NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000521587436 448998653 /nfs/dbraw/zinc/99/86/53/448998653.db2.gz VBAKNJAQTINSGV-SFHVURJKSA-N 2 1 347.507 1.355 20 0 EDADMP CN(CCC[NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000521587436 448998657 /nfs/dbraw/zinc/99/86/57/448998657.db2.gz VBAKNJAQTINSGV-SFHVURJKSA-N 2 1 347.507 1.355 20 0 EDADMP CN(CCC[NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000521587436 448998661 /nfs/dbraw/zinc/99/86/61/448998661.db2.gz VBAKNJAQTINSGV-SFHVURJKSA-N 2 1 347.507 1.355 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000569440187 449024831 /nfs/dbraw/zinc/02/48/31/449024831.db2.gz RNEGJZPZRSMSPV-INIZCTEOSA-N 2 1 340.512 1.694 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000582230707 449042981 /nfs/dbraw/zinc/04/29/81/449042981.db2.gz VFDJGMGYLAAYBM-HOTGVXAUSA-N 2 1 330.476 1.732 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOCCOc3ccccc3)CC2)C1 ZINC000604390295 449224016 /nfs/dbraw/zinc/22/40/16/449224016.db2.gz UPEGMMJYLNRUKW-IBGZPJMESA-N 2 1 347.503 1.794 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCOCCOc3ccccc3)CC2)C1 ZINC000604390295 449224021 /nfs/dbraw/zinc/22/40/21/449224021.db2.gz UPEGMMJYLNRUKW-IBGZPJMESA-N 2 1 347.503 1.794 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000612026726 449526247 /nfs/dbraw/zinc/52/62/47/449526247.db2.gz MEGWAYIZCUVHPY-OAHLLOKOSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000612026726 449526254 /nfs/dbraw/zinc/52/62/54/449526254.db2.gz MEGWAYIZCUVHPY-OAHLLOKOSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000612026726 449526258 /nfs/dbraw/zinc/52/62/58/449526258.db2.gz MEGWAYIZCUVHPY-OAHLLOKOSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000606715462 449515238 /nfs/dbraw/zinc/51/52/38/449515238.db2.gz DMNYRWDKJHOELN-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000606715462 449515244 /nfs/dbraw/zinc/51/52/44/449515244.db2.gz DMNYRWDKJHOELN-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP CSC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH+](C)CC1 ZINC000594522654 449560868 /nfs/dbraw/zinc/56/08/68/449560868.db2.gz MYOVLORSOGVRQH-MRXNPFEDSA-N 3 1 327.538 1.657 20 0 EDADMP CC[C@@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(=O)OC ZINC000602440049 449588989 /nfs/dbraw/zinc/58/89/89/449588989.db2.gz NBGNAPSIXRXNKY-MRXNPFEDSA-N 2 1 347.459 1.438 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602469258 449615691 /nfs/dbraw/zinc/61/56/91/449615691.db2.gz SHEHKLXMUUFHOR-IQMFZBJNSA-N 2 1 343.537 1.258 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(C(=O)OC)no2)C1 ZINC000602480480 449623880 /nfs/dbraw/zinc/62/38/80/449623880.db2.gz XKULPOJJOQDOAU-ZDUSSCGKSA-N 2 1 325.409 1.394 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C(=O)OC)no2)C1 ZINC000602480480 449623884 /nfs/dbraw/zinc/62/38/84/449623884.db2.gz XKULPOJJOQDOAU-ZDUSSCGKSA-N 2 1 325.409 1.394 20 0 EDADMP CC(C)c1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc(=O)[nH]1 ZINC000617506161 449653281 /nfs/dbraw/zinc/65/32/81/449653281.db2.gz CKJWRBFFDXHWMV-AWEZNQCLSA-N 2 1 336.480 1.912 20 0 EDADMP CC(C)c1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc(=O)[nH]1 ZINC000617506161 449653287 /nfs/dbraw/zinc/65/32/87/449653287.db2.gz CKJWRBFFDXHWMV-AWEZNQCLSA-N 2 1 336.480 1.912 20 0 EDADMP COC(=O)c1[nH]c(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1C ZINC000602543319 449663499 /nfs/dbraw/zinc/66/34/99/449663499.db2.gz APFIHGBMJRBQLZ-UHFFFAOYSA-N 2 1 336.480 1.473 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)CC[N@H+]1C ZINC000600997546 449642862 /nfs/dbraw/zinc/64/28/62/449642862.db2.gz GODDMBFOOJNGFN-JKSUJKDBSA-N 2 1 339.480 1.108 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000617502267 449644231 /nfs/dbraw/zinc/64/42/31/449644231.db2.gz JENJYIAJUPNJSC-INIZCTEOSA-N 3 1 338.540 1.639 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000617502267 449644238 /nfs/dbraw/zinc/64/42/38/449644238.db2.gz JENJYIAJUPNJSC-INIZCTEOSA-N 3 1 338.540 1.639 20 0 EDADMP COC(=O)CCNC(=O)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000599009181 449696596 /nfs/dbraw/zinc/69/65/96/449696596.db2.gz UASRTPWQLXYCCI-UHFFFAOYSA-N 2 1 347.459 1.310 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000617699713 449744317 /nfs/dbraw/zinc/74/43/17/449744317.db2.gz QSYTZTPLKIKZEP-RTBURBONSA-N 2 1 345.487 1.744 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617699713 449744321 /nfs/dbraw/zinc/74/43/21/449744321.db2.gz QSYTZTPLKIKZEP-RTBURBONSA-N 2 1 345.487 1.744 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617699713 449744325 /nfs/dbraw/zinc/74/43/25/449744325.db2.gz QSYTZTPLKIKZEP-RTBURBONSA-N 2 1 345.487 1.744 20 0 EDADMP C[NH+](C)CCCCC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617701136 449746466 /nfs/dbraw/zinc/74/64/66/449746466.db2.gz PVYYWDVUOQIOQW-GOSISDBHSA-N 2 1 333.476 1.601 20 0 EDADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000601230012 449762453 /nfs/dbraw/zinc/76/24/53/449762453.db2.gz LCYDPKHCIWGKPK-IRXDYDNUSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccnn3CC3CC3)C2)CC1 ZINC000597027776 449775710 /nfs/dbraw/zinc/77/57/10/449775710.db2.gz XZNJZZJPEZESRB-GOSISDBHSA-N 2 1 331.508 1.893 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccnn3CC3CC3)C2)CC1 ZINC000597027776 449775717 /nfs/dbraw/zinc/77/57/17/449775717.db2.gz XZNJZZJPEZESRB-GOSISDBHSA-N 2 1 331.508 1.893 20 0 EDADMP CS[C@@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH+](C)C ZINC000602800825 449819160 /nfs/dbraw/zinc/81/91/60/449819160.db2.gz VQAJQKNAHDBGEV-GUDVDZBRSA-N 2 1 349.544 1.601 20 0 EDADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000615085722 449946350 /nfs/dbraw/zinc/94/63/50/449946350.db2.gz IHBLMWCWDMABOY-CQSZACIVSA-N 2 1 328.416 1.660 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)C[C@H](C)O1 ZINC000612963079 449958715 /nfs/dbraw/zinc/95/87/15/449958715.db2.gz GZUYPEFEHGYUTP-QLFBSQMISA-N 2 1 338.496 1.316 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)C[C@H](C)O1 ZINC000612963079 449958722 /nfs/dbraw/zinc/95/87/22/449958722.db2.gz GZUYPEFEHGYUTP-QLFBSQMISA-N 2 1 338.496 1.316 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612985668 449971344 /nfs/dbraw/zinc/97/13/44/449971344.db2.gz MFJSPFZWAIGTJQ-ZBFHGGJFSA-N 2 1 336.480 1.023 20 0 EDADMP COC(=O)c1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000603165717 450105962 /nfs/dbraw/zinc/10/59/62/450105962.db2.gz ZZPDXJFNRIXTCE-UHFFFAOYSA-N 2 1 343.431 1.079 20 0 EDADMP CCOC(=O)COc1ccc(OCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000610367876 450200760 /nfs/dbraw/zinc/20/07/60/450200760.db2.gz DUNCQXYDAYOFMV-GASCZTMLSA-N 2 1 334.416 1.159 20 0 EDADMP CCOC(=O)COc1ccc(OCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000610367876 450200771 /nfs/dbraw/zinc/20/07/71/450200771.db2.gz DUNCQXYDAYOFMV-GASCZTMLSA-N 2 1 334.416 1.159 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000619899837 450367563 /nfs/dbraw/zinc/36/75/63/450367563.db2.gz PRUXXHGSXZWKJZ-HKUYNNGSSA-N 2 1 331.460 1.224 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000619899837 450367569 /nfs/dbraw/zinc/36/75/69/450367569.db2.gz PRUXXHGSXZWKJZ-HKUYNNGSSA-N 2 1 331.460 1.224 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000619899837 450367575 /nfs/dbraw/zinc/36/75/75/450367575.db2.gz PRUXXHGSXZWKJZ-HKUYNNGSSA-N 2 1 331.460 1.224 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000620482922 450501201 /nfs/dbraw/zinc/50/12/01/450501201.db2.gz VJFGYGSZLOXHQR-GOSISDBHSA-N 2 1 331.460 1.419 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CC1(C)C ZINC000623351586 450503174 /nfs/dbraw/zinc/50/31/74/450503174.db2.gz WTBRFHBFEANWPP-AWEZNQCLSA-N 2 1 325.478 1.339 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC000623407837 450517204 /nfs/dbraw/zinc/51/72/04/450517204.db2.gz ZBLSNMXZQAYYOI-AWEZNQCLSA-N 2 1 340.489 1.931 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC000623407837 450517207 /nfs/dbraw/zinc/51/72/07/450517207.db2.gz ZBLSNMXZQAYYOI-AWEZNQCLSA-N 2 1 340.489 1.931 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccs2)CC1(C)C ZINC000623469631 450526314 /nfs/dbraw/zinc/52/63/14/450526314.db2.gz JLLCWLWNEYXYIO-LBPRGKRZSA-N 2 1 331.507 1.489 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccs2)CC1(C)C ZINC000623469631 450526316 /nfs/dbraw/zinc/52/63/16/450526316.db2.gz JLLCWLWNEYXYIO-LBPRGKRZSA-N 2 1 331.507 1.489 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000620725949 450534941 /nfs/dbraw/zinc/53/49/41/450534941.db2.gz AQWVNYCNKFVYJE-IEBWSBKVSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000620725949 450534944 /nfs/dbraw/zinc/53/49/44/450534944.db2.gz AQWVNYCNKFVYJE-IEBWSBKVSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000620725949 450534946 /nfs/dbraw/zinc/53/49/46/450534946.db2.gz AQWVNYCNKFVYJE-IEBWSBKVSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000620725949 450534949 /nfs/dbraw/zinc/53/49/49/450534949.db2.gz AQWVNYCNKFVYJE-IEBWSBKVSA-N 2 1 344.503 1.261 20 0 EDADMP Cc1cn2c(n1)C[C@H](C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)CC2 ZINC000623647772 450559293 /nfs/dbraw/zinc/55/92/93/450559293.db2.gz OGOHCYIVZPIZSV-HZPDHXFCSA-N 2 1 334.464 1.227 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046301 450561826 /nfs/dbraw/zinc/56/18/26/450561826.db2.gz YDGQCDDAKXHBQX-GDAAHCPNSA-N 2 1 345.487 1.468 20 0 EDADMP CC(C)[C@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000621151361 450597657 /nfs/dbraw/zinc/59/76/57/450597657.db2.gz YSDAIZUENSCMFL-LJQANCHMSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000633041281 450639156 /nfs/dbraw/zinc/63/91/56/450639156.db2.gz VJNMHJQEAFBQCW-ZYHUDNBSSA-N 2 1 338.839 1.288 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000623966710 450654693 /nfs/dbraw/zinc/65/46/93/450654693.db2.gz MDADYMYFSQPAAC-QGZVFWFLSA-N 2 1 345.491 1.324 20 0 EDADMP C[C@H](CNS(=O)(=O)CCC[NH+]1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000631743667 450744844 /nfs/dbraw/zinc/74/48/44/450744844.db2.gz YXFHZDZXEGJZJZ-HZPDHXFCSA-N 2 1 331.526 1.655 20 0 EDADMP C[N@H+](CCOCC[NH3+])CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000629578187 450745813 /nfs/dbraw/zinc/74/58/13/450745813.db2.gz HKGDTQWFOFTRCI-OAHLLOKOSA-N 2 1 327.494 1.859 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000629578187 450745814 /nfs/dbraw/zinc/74/58/14/450745814.db2.gz HKGDTQWFOFTRCI-OAHLLOKOSA-N 2 1 327.494 1.859 20 0 EDADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629577906 450746217 /nfs/dbraw/zinc/74/62/17/450746217.db2.gz FDBUMSFDOBYHAV-CQSZACIVSA-N 2 1 333.432 1.859 20 0 EDADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629577906 450746222 /nfs/dbraw/zinc/74/62/22/450746222.db2.gz FDBUMSFDOBYHAV-CQSZACIVSA-N 2 1 333.432 1.859 20 0 EDADMP O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624229705 450756144 /nfs/dbraw/zinc/75/61/44/450756144.db2.gz AJSWOAAFZSAVKX-DOIPELPJSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@@H]1CC[N@H+](CCN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000624229705 450756146 /nfs/dbraw/zinc/75/61/46/450756146.db2.gz AJSWOAAFZSAVKX-DOIPELPJSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@@H]1CC[N@@H+](CCN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000624229705 450756147 /nfs/dbraw/zinc/75/61/47/450756147.db2.gz AJSWOAAFZSAVKX-DOIPELPJSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@@H]1CC[NH+](CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624229705 450756149 /nfs/dbraw/zinc/75/61/49/450756149.db2.gz AJSWOAAFZSAVKX-DOIPELPJSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@@H]1CC[NH+](CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624229705 450756151 /nfs/dbraw/zinc/75/61/51/450756151.db2.gz AJSWOAAFZSAVKX-DOIPELPJSA-N 2 1 343.515 1.943 20 0 EDADMP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1C[NH3+] ZINC000631839504 450808363 /nfs/dbraw/zinc/80/83/63/450808363.db2.gz HEDHGPGNTVDWSD-HZPDHXFCSA-N 2 1 348.466 1.391 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000631860052 450830886 /nfs/dbraw/zinc/83/08/86/450830886.db2.gz GYPPBEDPELGUCF-HKUYNNGSSA-N 2 1 344.503 1.451 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631921101 450879869 /nfs/dbraw/zinc/87/98/69/450879869.db2.gz MZZSZPPGAJIXTK-IYBDPMFKSA-N 2 1 331.526 1.655 20 0 EDADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629913651 450881215 /nfs/dbraw/zinc/88/12/15/450881215.db2.gz MKBDYUSSVATSIN-ZDUSSCGKSA-N 2 1 331.416 1.291 20 0 EDADMP CCn1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C2CC2)n1 ZINC000633613985 450943367 /nfs/dbraw/zinc/94/33/67/450943367.db2.gz JYJYKILKLBAWSB-AWEZNQCLSA-N 2 1 335.496 1.782 20 0 EDADMP CCn1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C2CC2)n1 ZINC000633613985 450943372 /nfs/dbraw/zinc/94/33/72/450943372.db2.gz JYJYKILKLBAWSB-AWEZNQCLSA-N 2 1 335.496 1.782 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[NH+](C[C@H]2CCCO2)CC1)CC(C)(C)C ZINC000635444762 450946520 /nfs/dbraw/zinc/94/65/20/450946520.db2.gz UIIMYXLIOGRBEV-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP C[NH+](CC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)CC(C)(C)C ZINC000635444762 450946525 /nfs/dbraw/zinc/94/65/25/450946525.db2.gz UIIMYXLIOGRBEV-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP C[NH+](CC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)CC(C)(C)C ZINC000635444762 450946530 /nfs/dbraw/zinc/94/65/30/450946530.db2.gz UIIMYXLIOGRBEV-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000635492187 450987795 /nfs/dbraw/zinc/98/77/95/450987795.db2.gz VULYSSUHSZXICG-PKOBYXMFSA-N 2 1 344.503 1.433 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000626923356 451007470 /nfs/dbraw/zinc/00/74/70/451007470.db2.gz RDAUSQKCGYWMDA-RLLQIKCJSA-N 2 1 342.487 1.902 20 0 EDADMP [NH3+]C1(CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC000626934543 451016112 /nfs/dbraw/zinc/01/61/12/451016112.db2.gz HVQFRQLHCWAORG-UHFFFAOYSA-N 2 1 346.475 1.242 20 0 EDADMP CC[C@@H](CNC(=O)NCCOCCC[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000626934753 451017330 /nfs/dbraw/zinc/01/73/30/451017330.db2.gz MZIVESGUHSFIQG-SFHVURJKSA-N 2 1 348.491 1.488 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626942156 451022178 /nfs/dbraw/zinc/02/21/78/451022178.db2.gz JTOCRBYJYGFXMI-CHWSQXEVSA-N 2 1 347.385 1.750 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000633801277 451025162 /nfs/dbraw/zinc/02/51/62/451025162.db2.gz WUNRNIBVIFKCHL-HKUYNNGSSA-N 2 1 344.503 1.118 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000633801277 451025168 /nfs/dbraw/zinc/02/51/68/451025168.db2.gz WUNRNIBVIFKCHL-HKUYNNGSSA-N 2 1 344.503 1.118 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000626969227 451040821 /nfs/dbraw/zinc/04/08/21/451040821.db2.gz RLYGKEZECMHURF-GBESFXJTSA-N 2 1 344.503 1.991 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCCOCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000626998407 451064194 /nfs/dbraw/zinc/06/41/94/451064194.db2.gz MNMKFBGFEXWCMU-WBVHZDCISA-N 2 1 334.464 1.314 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCC2([NH3+])CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000626999071 451064677 /nfs/dbraw/zinc/06/46/77/451064677.db2.gz WFGMJIILLDHFNS-NVXWUHKLSA-N 2 1 346.475 1.457 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627001728 451066485 /nfs/dbraw/zinc/06/64/85/451066485.db2.gz KZJYYKACICMBNH-OAHLLOKOSA-N 2 1 326.485 1.162 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2CC)[C@@H](C)C1 ZINC000626980905 451049835 /nfs/dbraw/zinc/04/98/35/451049835.db2.gz WKHWMPWNMKCNIC-LUKYLMHMSA-N 2 1 340.512 1.563 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C[NH2+]1 ZINC000627117795 451134124 /nfs/dbraw/zinc/13/41/24/451134124.db2.gz XHOFURHBWLOMCJ-KLHDSHLOSA-N 2 1 336.480 1.070 20 0 EDADMP Cc1cc(N2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)nc(C)[nH+]1 ZINC000635654344 451138743 /nfs/dbraw/zinc/13/87/43/451138743.db2.gz CSZNEGAJIBYPDV-HNNXBMFYSA-N 2 1 331.464 1.520 20 0 EDADMP Cc1cc(N2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nc(C)[nH+]1 ZINC000635654344 451138744 /nfs/dbraw/zinc/13/87/44/451138744.db2.gz CSZNEGAJIBYPDV-HNNXBMFYSA-N 2 1 331.464 1.520 20 0 EDADMP Cc1cc(NC(=O)[C@@H](C)C[NH+]2CCOCC2)n(C2CC[NH+](C)CC2)n1 ZINC000622417353 451147464 /nfs/dbraw/zinc/14/74/64/451147464.db2.gz BSKHTLJDTOSFMT-AWEZNQCLSA-N 2 1 349.479 1.365 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635678146 451162079 /nfs/dbraw/zinc/16/20/79/451162079.db2.gz ZKHLVJAZKNCBAA-INIZCTEOSA-N 2 1 325.497 1.439 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)CCCC[NH+]3CCOCC3)cn2)CC1 ZINC000634089960 451188583 /nfs/dbraw/zinc/18/85/83/451188583.db2.gz QGNBTALFWJLEIT-UHFFFAOYSA-N 2 1 349.479 1.591 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627214677 451191638 /nfs/dbraw/zinc/19/16/38/451191638.db2.gz WKLGCZRVJJKRSI-QGZVFWFLSA-N 2 1 334.464 1.268 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000627247455 451207416 /nfs/dbraw/zinc/20/74/16/451207416.db2.gz RMNKXLKUCRZCGZ-MRXNPFEDSA-N 2 1 332.448 1.274 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C3=CC[C@H]([NH3+])C3)cc2)CC1 ZINC000638083303 451246737 /nfs/dbraw/zinc/24/67/37/451246737.db2.gz FNOIURTWEARCJF-INIZCTEOSA-N 2 1 342.443 1.450 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000638085324 451250481 /nfs/dbraw/zinc/25/04/81/451250481.db2.gz XUCOKAUJJRIILV-KRXQYRFLSA-N 2 1 325.497 1.626 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638090224 451256433 /nfs/dbraw/zinc/25/64/33/451256433.db2.gz CKTAOJOPECHRMB-ZDUSSCGKSA-N 2 1 333.354 1.400 20 0 EDADMP [NH3+]C[C@]1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCCOC1 ZINC000638118192 451287278 /nfs/dbraw/zinc/28/72/78/451287278.db2.gz QOROXMICMHJFIF-PKOBYXMFSA-N 2 1 331.460 1.523 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)C3=CC[C@@H]([NH3+])C3)CCCCC2)CCO1 ZINC000638112474 451280863 /nfs/dbraw/zinc/28/08/63/451280863.db2.gz MCRDSEXAPRVLPD-MRXNPFEDSA-N 2 1 335.492 1.964 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000635853544 451300272 /nfs/dbraw/zinc/30/02/72/451300272.db2.gz IQDMSXHFOMHZAS-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000635853544 451300275 /nfs/dbraw/zinc/30/02/75/451300275.db2.gz IQDMSXHFOMHZAS-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000635853544 451300281 /nfs/dbraw/zinc/30/02/81/451300281.db2.gz IQDMSXHFOMHZAS-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CC[C@@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638136392 451308888 /nfs/dbraw/zinc/30/88/88/451308888.db2.gz ZEOWTKHCELSTJQ-MOPGFXCFSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638136392 451308893 /nfs/dbraw/zinc/30/88/93/451308893.db2.gz ZEOWTKHCELSTJQ-MOPGFXCFSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000636629139 451366030 /nfs/dbraw/zinc/36/60/30/451366030.db2.gz GQVUZUPOVNFAGE-OAGGEKHMSA-N 2 1 340.512 1.109 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638271843 451390817 /nfs/dbraw/zinc/39/08/17/451390817.db2.gz DMZFJIDNIVLTHE-SFHVURJKSA-N 2 1 334.508 1.492 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638277547 451396039 /nfs/dbraw/zinc/39/60/39/451396039.db2.gz BVVXREAOQAKXMF-QGZVFWFLSA-N 2 1 327.513 1.168 20 0 EDADMP CC(C)CN1CCO[C@H](C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638277547 451396043 /nfs/dbraw/zinc/39/60/43/451396043.db2.gz BVVXREAOQAKXMF-QGZVFWFLSA-N 2 1 327.513 1.168 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000638286751 451404441 /nfs/dbraw/zinc/40/44/41/451404441.db2.gz PWWFLGVDTCDFHP-FHWLQOOXSA-N 2 1 344.503 1.388 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000638286751 451404447 /nfs/dbraw/zinc/40/44/47/451404447.db2.gz PWWFLGVDTCDFHP-FHWLQOOXSA-N 2 1 344.503 1.388 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000638286751 451404450 /nfs/dbraw/zinc/40/44/50/451404450.db2.gz PWWFLGVDTCDFHP-FHWLQOOXSA-N 2 1 344.503 1.388 20 0 EDADMP O=C(CCC1C[NH2+]C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000638302879 451417521 /nfs/dbraw/zinc/41/75/21/451417521.db2.gz LITMJCGAGKKTOC-GOSISDBHSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H]1C[C@H](CCNC(=O)CN2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000638310255 451424637 /nfs/dbraw/zinc/42/46/37/451424637.db2.gz QCNCZEZCCJADJZ-HKUYNNGSSA-N 2 1 344.503 1.309 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)CC(C)(C)C ZINC000638346302 451449217 /nfs/dbraw/zinc/44/92/17/451449217.db2.gz HSBNHPQGAGIQAL-CVEARBPZSA-N 2 1 325.497 1.709 20 0 EDADMP C[C@H]1CN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC[N@@H+]1CC(C)(C)O ZINC000640625258 451474018 /nfs/dbraw/zinc/47/40/18/451474018.db2.gz WVTGZRKRVLBMHM-AWEZNQCLSA-N 2 1 349.479 1.452 20 0 EDADMP C[C@H]1CN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC[N@H+]1CC(C)(C)O ZINC000640625258 451474022 /nfs/dbraw/zinc/47/40/22/451474022.db2.gz WVTGZRKRVLBMHM-AWEZNQCLSA-N 2 1 349.479 1.452 20 0 EDADMP CC[NH+]1CCC(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634700740 451474352 /nfs/dbraw/zinc/47/43/52/451474352.db2.gz DWXSJECMIFUVCB-HXUWFJFHSA-N 3 1 331.504 1.945 20 0 EDADMP CC[NH+]1CCC(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634700740 451474355 /nfs/dbraw/zinc/47/43/55/451474355.db2.gz DWXSJECMIFUVCB-HXUWFJFHSA-N 3 1 331.504 1.945 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638384965 451478117 /nfs/dbraw/zinc/47/81/17/451478117.db2.gz GWAGDLJEUYNPOF-LJQANCHMSA-N 2 1 340.471 1.482 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634709778 451488176 /nfs/dbraw/zinc/48/81/76/451488176.db2.gz OAMILUNWFOJLNE-SJORKVTESA-N 2 1 328.497 1.237 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000638402399 451491127 /nfs/dbraw/zinc/49/11/27/451491127.db2.gz LTPSIAVKQLUAIQ-WBVHZDCISA-N 2 1 333.476 1.802 20 0 EDADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000634712758 451492217 /nfs/dbraw/zinc/49/22/17/451492217.db2.gz LHCRPRXZFBZKPM-MOPGFXCFSA-N 2 1 348.487 1.391 20 0 EDADMP C[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638344427 451447603 /nfs/dbraw/zinc/44/76/03/451447603.db2.gz QVYQMVLHBBHVGJ-ICSRJNTNSA-N 2 1 345.487 1.593 20 0 EDADMP O[C@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000634719368 451500011 /nfs/dbraw/zinc/50/00/11/451500011.db2.gz SNJCJCDNQJLEEH-UXHICEINSA-N 2 1 347.503 1.060 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638504512 451549430 /nfs/dbraw/zinc/54/94/30/451549430.db2.gz FZSBFYTWRWOBLI-IRXDYDNUSA-N 2 1 329.444 1.288 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638504512 451549436 /nfs/dbraw/zinc/54/94/36/451549436.db2.gz FZSBFYTWRWOBLI-IRXDYDNUSA-N 2 1 329.444 1.288 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NCC1([NH3+])CCOCC1)c1cccc(Cl)c1 ZINC000638540238 451567646 /nfs/dbraw/zinc/56/76/46/451567646.db2.gz KRGHKJRGWRRBNB-CQSZACIVSA-N 2 1 325.840 1.567 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638548141 451571467 /nfs/dbraw/zinc/57/14/67/451571467.db2.gz BHYHREZMJNGETJ-QGZVFWFLSA-N 2 1 340.556 1.085 20 0 EDADMP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000638618170 451611691 /nfs/dbraw/zinc/61/16/91/451611691.db2.gz LKERQKJBXXVHGT-RDJZCZTQSA-N 2 1 335.423 1.142 20 0 EDADMP C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[NH2+]1 ZINC000638640445 451627074 /nfs/dbraw/zinc/62/70/74/451627074.db2.gz BNYDOHCANKIIFO-YJBOKZPZSA-N 2 1 330.476 1.304 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638766925 451684418 /nfs/dbraw/zinc/68/44/18/451684418.db2.gz ZINGCAKVZCDOLN-WOGUSJMUSA-N 2 1 343.471 1.392 20 0 EDADMP CC[NH+](CC)CCNC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000636445298 451711932 /nfs/dbraw/zinc/71/19/32/451711932.db2.gz FPHGGFQKUQWYRO-KRWDZBQOSA-N 2 1 348.491 1.911 20 0 EDADMP CC[NH+](CC)CCNC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000636445298 451711937 /nfs/dbraw/zinc/71/19/37/451711937.db2.gz FPHGGFQKUQWYRO-KRWDZBQOSA-N 2 1 348.491 1.911 20 0 EDADMP C[C@H](C(=O)N1C[C@H]([NH3+])C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000638935586 451739748 /nfs/dbraw/zinc/73/97/48/451739748.db2.gz NYSBBVMZKKPMMP-IIAWOOMASA-N 2 1 334.439 1.284 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000638977310 451744378 /nfs/dbraw/zinc/74/43/78/451744378.db2.gz KJNZQTDUPQTBAF-KRWDZBQOSA-N 2 1 343.431 1.797 20 0 EDADMP CO[C@H](Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1)c1ccc(F)cc1 ZINC000641104433 451750777 /nfs/dbraw/zinc/75/07/77/451750777.db2.gz SBAXRKQYOQWIQU-GOSISDBHSA-N 2 1 347.438 1.771 20 0 EDADMP CC(C)[C@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC[N@H+]1C ZINC000639018395 451752619 /nfs/dbraw/zinc/75/26/19/451752619.db2.gz HRTDUIRWUKEZAL-GOEBONIOSA-N 2 1 334.468 1.005 20 0 EDADMP CC[N@H+](C)C[C@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641221734 451787811 /nfs/dbraw/zinc/78/78/11/451787811.db2.gz IHCHNWPXQGEKGZ-NHYWBVRUSA-N 2 1 341.818 1.431 20 0 EDADMP CC[N@@H+](C)C[C@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641221734 451787812 /nfs/dbraw/zinc/78/78/12/451787812.db2.gz IHCHNWPXQGEKGZ-NHYWBVRUSA-N 2 1 341.818 1.431 20 0 EDADMP C[NH+](C)CCc1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641230074 451791218 /nfs/dbraw/zinc/79/12/18/451791218.db2.gz OXLVJKNDXFFIED-GOSISDBHSA-N 2 1 329.448 1.019 20 0 EDADMP O=C(NCCC1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000653272021 451807553 /nfs/dbraw/zinc/80/75/53/451807553.db2.gz VOOCMDFKXPTMOL-GOSISDBHSA-N 2 1 330.476 1.800 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000653279950 451811392 /nfs/dbraw/zinc/81/13/92/451811392.db2.gz NAVTVASHMDZEHS-ZFWWWQNUSA-N 2 1 335.448 1.522 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000653279950 451811397 /nfs/dbraw/zinc/81/13/97/451811397.db2.gz NAVTVASHMDZEHS-ZFWWWQNUSA-N 2 1 335.448 1.522 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)[C@H]1C[NH3+] ZINC000646770924 451831639 /nfs/dbraw/zinc/83/16/39/451831639.db2.gz FWSRQTSPBORJFC-NJAFHUGGSA-N 2 1 330.476 1.879 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000644532420 451845315 /nfs/dbraw/zinc/84/53/15/451845315.db2.gz IMSBZEBLSQMHRG-CVEARBPZSA-N 2 1 345.409 1.706 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000644532420 451845316 /nfs/dbraw/zinc/84/53/16/451845316.db2.gz IMSBZEBLSQMHRG-CVEARBPZSA-N 2 1 345.409 1.706 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000649102981 451845734 /nfs/dbraw/zinc/84/57/34/451845734.db2.gz SLYWHUOLMVKKEU-QRQLOZEOSA-N 2 1 345.487 1.416 20 0 EDADMP COc1cccc(N2CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000644570144 451866825 /nfs/dbraw/zinc/86/68/25/451866825.db2.gz GSFJHTRNYFQFGI-CRAIPNDOSA-N 2 1 333.476 1.709 20 0 EDADMP COc1cccc(N2CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000644570144 451866832 /nfs/dbraw/zinc/86/68/32/451866832.db2.gz GSFJHTRNYFQFGI-CRAIPNDOSA-N 2 1 333.476 1.709 20 0 EDADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@]2(N)CC[N@@H+](C)C2)cc1 ZINC000649284908 451957450 /nfs/dbraw/zinc/95/74/50/451957450.db2.gz LDTSTUHANLMUGU-SFHVURJKSA-N 2 1 334.464 1.379 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cnn1C ZINC000649292849 451969212 /nfs/dbraw/zinc/96/92/12/451969212.db2.gz GOJSHPJHDZLEOI-NONVJHHQSA-N 2 1 347.507 1.411 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000649303235 451979716 /nfs/dbraw/zinc/97/97/16/451979716.db2.gz LJCCPVUVSLMROZ-OAHLLOKOSA-N 2 1 334.468 1.005 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)c1 ZINC000649306279 451983952 /nfs/dbraw/zinc/98/39/52/451983952.db2.gz JUCRMFZWVWDWEQ-KRWDZBQOSA-N 2 1 346.475 1.094 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C[NH2+]C3CC3)cc2)CC1 ZINC000649308592 451986366 /nfs/dbraw/zinc/98/63/66/451986366.db2.gz PBMBCZJXNRHKLD-UHFFFAOYSA-N 2 1 330.432 1.155 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000649312352 451989290 /nfs/dbraw/zinc/98/92/90/451989290.db2.gz JGOUUWHWPZURQG-MHORFTMASA-N 2 1 336.524 1.378 20 0 EDADMP Cc1cc(NC(=O)[C@]2(N)CC[N@H+](C)C2)ccc1OCC[NH+]1CCCC1 ZINC000649336265 452016767 /nfs/dbraw/zinc/01/67/67/452016767.db2.gz ORFJGYHHAYDLTJ-IBGZPJMESA-N 2 1 346.475 1.441 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649336614 452017957 /nfs/dbraw/zinc/01/79/57/452017957.db2.gz IGLXAZDOWVHVJS-XZVLQNKUSA-N 2 1 327.472 1.725 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(N)CC[NH+](C)C1 ZINC000649345412 452026050 /nfs/dbraw/zinc/02/60/50/452026050.db2.gz ZNPKJQKNNMBQKA-ICSRJNTNSA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@]1(N)CC[N@H+](C)C1 ZINC000649345412 452026055 /nfs/dbraw/zinc/02/60/55/452026055.db2.gz ZNPKJQKNNMBQKA-ICSRJNTNSA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@]1(N)CC[N@@H+](C)C1 ZINC000649345412 452026060 /nfs/dbraw/zinc/02/60/60/452026060.db2.gz ZNPKJQKNNMBQKA-ICSRJNTNSA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1([NH3+])CCN(C)C1 ZINC000649345412 452026068 /nfs/dbraw/zinc/02/60/68/452026068.db2.gz ZNPKJQKNNMBQKA-ICSRJNTNSA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1([NH3+])CCN(C)C1 ZINC000649345412 452026072 /nfs/dbraw/zinc/02/60/72/452026072.db2.gz ZNPKJQKNNMBQKA-ICSRJNTNSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@]3(N)CC[NH+](C)C3)cc2)C1 ZINC000649345708 452026885 /nfs/dbraw/zinc/02/68/85/452026885.db2.gz LSBROGBIBFNFSJ-BEFAXECRSA-N 2 1 346.475 1.379 20 0 EDADMP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)[C@]3(N)CC[N@H+](C)C3)cc2)C1 ZINC000649345708 452026892 /nfs/dbraw/zinc/02/68/92/452026892.db2.gz LSBROGBIBFNFSJ-BEFAXECRSA-N 2 1 346.475 1.379 20 0 EDADMP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)[C@]3(N)CC[N@@H+](C)C3)cc2)C1 ZINC000649345708 452026897 /nfs/dbraw/zinc/02/68/97/452026897.db2.gz LSBROGBIBFNFSJ-BEFAXECRSA-N 2 1 346.475 1.379 20 0 EDADMP CCCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000647049738 452029577 /nfs/dbraw/zinc/02/95/77/452029577.db2.gz ZUMRUXZMJNSNMK-HUUCEWRRSA-N 2 1 340.512 1.022 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2cccnc21 ZINC000644856031 452030966 /nfs/dbraw/zinc/03/09/66/452030966.db2.gz HEQCFMKZCMWKOD-ROUUACIJSA-N 2 1 344.503 1.986 20 0 EDADMP O=C(CC[C@H]1CCC[NH2+]1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000649351419 452036270 /nfs/dbraw/zinc/03/62/70/452036270.db2.gz WOCORRMZIBFRLZ-QGZVFWFLSA-N 2 1 330.476 1.457 20 0 EDADMP CNC(=O)c1cc(O[C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC000639701764 452037589 /nfs/dbraw/zinc/03/75/89/452037589.db2.gz JUTBHCFUAXKOFJ-RDJZCZTQSA-N 2 1 346.475 1.769 20 0 EDADMP CNC(=O)c1cc(O[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC000639701764 452037592 /nfs/dbraw/zinc/03/75/92/452037592.db2.gz JUTBHCFUAXKOFJ-RDJZCZTQSA-N 2 1 346.475 1.769 20 0 EDADMP CNC(=O)c1cc(O[C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)ccn1 ZINC000639701764 452037594 /nfs/dbraw/zinc/03/75/94/452037594.db2.gz JUTBHCFUAXKOFJ-RDJZCZTQSA-N 2 1 346.475 1.769 20 0 EDADMP CNC(=O)c1cc(O[C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)ccn1 ZINC000639701764 452037596 /nfs/dbraw/zinc/03/75/96/452037596.db2.gz JUTBHCFUAXKOFJ-RDJZCZTQSA-N 2 1 346.475 1.769 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000653650223 452061010 /nfs/dbraw/zinc/06/10/10/452061010.db2.gz ULMVJYWPAJAUST-YTQUADARSA-N 2 1 336.476 1.341 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000653650223 452061016 /nfs/dbraw/zinc/06/10/16/452061016.db2.gz ULMVJYWPAJAUST-YTQUADARSA-N 2 1 336.476 1.341 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000653650223 452061023 /nfs/dbraw/zinc/06/10/23/452061023.db2.gz ULMVJYWPAJAUST-YTQUADARSA-N 2 1 336.476 1.341 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000653650223 452061031 /nfs/dbraw/zinc/06/10/31/452061031.db2.gz ULMVJYWPAJAUST-YTQUADARSA-N 2 1 336.476 1.341 20 0 EDADMP COc1ccc([C@@H](C[NH3+])CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000649414520 452075849 /nfs/dbraw/zinc/07/58/49/452075849.db2.gz FAEVRBNNUOGRFO-OALUTQOASA-N 2 1 346.519 1.449 20 0 EDADMP [NH3+]C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000637797881 452087803 /nfs/dbraw/zinc/08/78/03/452087803.db2.gz GVMLUHWSSDDAMH-ICSRJNTNSA-N 2 1 343.471 1.475 20 0 EDADMP C[C@@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637816647 452098586 /nfs/dbraw/zinc/09/85/86/452098586.db2.gz JXRRYRIMZZTQFM-MRXNPFEDSA-N 3 1 330.476 1.190 20 0 EDADMP CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761251 452099116 /nfs/dbraw/zinc/09/91/16/452099116.db2.gz LPUCREQYSNRLHN-LJQANCHMSA-N 2 1 349.475 1.802 20 0 EDADMP CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761251 452099121 /nfs/dbraw/zinc/09/91/21/452099121.db2.gz LPUCREQYSNRLHN-LJQANCHMSA-N 2 1 349.475 1.802 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000639769396 452112544 /nfs/dbraw/zinc/11/25/44/452112544.db2.gz YHRXITBDHXEVEC-PXNSSMCTSA-N 2 1 345.487 1.537 20 0 EDADMP [NH3+]CCCOC1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000637864662 452122287 /nfs/dbraw/zinc/12/22/87/452122287.db2.gz PANVMPGLCUXAFG-GOSISDBHSA-N 2 1 345.487 1.865 20 0 EDADMP [NH3+]C1(CC(=O)NC[C@H]2CCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000637868596 452124788 /nfs/dbraw/zinc/12/47/88/452124788.db2.gz HEQLGFGXFUGRNV-QGZVFWFLSA-N 2 1 331.460 1.665 20 0 EDADMP C[C@@H]1C[N@@H+](CCN2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)C[C@H](C)O1 ZINC000639880831 452217000 /nfs/dbraw/zinc/21/70/00/452217000.db2.gz SDHYDHBXMNSPFM-KSZLIROESA-N 2 1 339.524 1.671 20 0 EDADMP C[C@@H]1C[N@H+](CCN2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)C[C@H](C)O1 ZINC000639880831 452217008 /nfs/dbraw/zinc/21/70/08/452217008.db2.gz SDHYDHBXMNSPFM-KSZLIROESA-N 2 1 339.524 1.671 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1)N1CC[NH2+]CC1 ZINC000647486452 452230419 /nfs/dbraw/zinc/23/04/19/452230419.db2.gz REOLXYBNCQKYLG-SFHVURJKSA-N 2 1 338.455 1.879 20 0 EDADMP Cn1c[nH+]cc1CCN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000649751869 452230989 /nfs/dbraw/zinc/23/09/89/452230989.db2.gz UEXZBBPIFXUMHU-PMACEKPBSA-N 2 1 340.471 1.938 20 0 EDADMP Cn1c[nH+]cc1CCN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000649751869 452230995 /nfs/dbraw/zinc/23/09/95/452230995.db2.gz UEXZBBPIFXUMHU-PMACEKPBSA-N 2 1 340.471 1.938 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000647486373 452231183 /nfs/dbraw/zinc/23/11/83/452231183.db2.gz IZDKQLYCNCOIAQ-IAGOWNOFSA-N 2 1 343.471 1.697 20 0 EDADMP C[NH+](C)[C@@H]1C[C@H](CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000654067216 452232910 /nfs/dbraw/zinc/23/29/10/452232910.db2.gz VYVXOFHHBUHETI-NZSAHSFTSA-N 2 1 344.503 1.432 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(OCc2ccccn2)c1 ZINC000647492840 452236563 /nfs/dbraw/zinc/23/65/63/452236563.db2.gz CQHWOXBCVZFGJP-UHFFFAOYSA-N 2 1 340.471 1.998 20 0 EDADMP CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000663553422 452261356 /nfs/dbraw/zinc/26/13/56/452261356.db2.gz LQVGFXFYPXWRJV-MRXNPFEDSA-N 2 1 342.528 1.763 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000663553422 452261366 /nfs/dbraw/zinc/26/13/66/452261366.db2.gz LQVGFXFYPXWRJV-MRXNPFEDSA-N 2 1 342.528 1.763 20 0 EDADMP Cc1nc([C@H](C)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cs1 ZINC000641788356 452261873 /nfs/dbraw/zinc/26/18/73/452261873.db2.gz YTOYEKKHWSDLCT-GOEBONIOSA-N 2 1 338.521 1.899 20 0 EDADMP Cc1ccc(C[N@@H+](CC2CC2)C[C@H]2CCCN(C(=O)C[NH3+])C2)cn1 ZINC000647552495 452279600 /nfs/dbraw/zinc/27/96/00/452279600.db2.gz BRSSFGNEFCECHM-GOSISDBHSA-N 2 1 330.476 1.799 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000641803617 452280249 /nfs/dbraw/zinc/28/02/49/452280249.db2.gz UNVLJHGDQBLZSE-HOTGVXAUSA-N 2 1 334.439 1.190 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)NCC12CC(C1)C[NH2+]2 ZINC000659439601 452286424 /nfs/dbraw/zinc/28/64/24/452286424.db2.gz LGVASYWRFGWYGP-UHFFFAOYSA-N 2 1 344.459 1.070 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CCO)CC1 ZINC000661495494 452296579 /nfs/dbraw/zinc/29/65/79/452296579.db2.gz VRKZINRDNMWPAU-WBVHZDCISA-N 2 1 325.497 1.458 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[C@H]1F ZINC000659450921 452301063 /nfs/dbraw/zinc/30/10/63/452301063.db2.gz IIPNEKPNJOTDAN-RCCFBDPRSA-N 2 1 348.466 1.632 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659456933 452308346 /nfs/dbraw/zinc/30/83/46/452308346.db2.gz UMXJSMZMMJARAK-NJAFHUGGSA-N 2 1 346.450 1.807 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000659455807 452308556 /nfs/dbraw/zinc/30/85/56/452308556.db2.gz DKFFIGGBYHPLLV-BRWVUGGUSA-N 2 1 342.528 1.796 20 0 EDADMP C[C@]1(NC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000663584895 452310549 /nfs/dbraw/zinc/31/05/49/452310549.db2.gz BHPYINPPOOTRSG-YJBOKZPZSA-N 2 1 345.447 1.010 20 0 EDADMP C[C@]1(NC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000663584895 452310559 /nfs/dbraw/zinc/31/05/59/452310559.db2.gz BHPYINPPOOTRSG-YJBOKZPZSA-N 2 1 345.447 1.010 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659467241 452323968 /nfs/dbraw/zinc/32/39/68/452323968.db2.gz VIWXACCTPFTIGM-HPBDAGMYSA-N 2 1 348.466 1.978 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000659468626 452325009 /nfs/dbraw/zinc/32/50/09/452325009.db2.gz BZQQHNBGLBYOQX-RKTXRCNFSA-N 2 1 334.439 1.730 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)[nH+]c1 ZINC000652130482 452326255 /nfs/dbraw/zinc/32/62/55/452326255.db2.gz PMRVJPSIAVPCTO-YJBOKZPZSA-N 2 1 331.464 1.384 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000665758392 452327994 /nfs/dbraw/zinc/32/79/94/452327994.db2.gz HAQMCMSNNPMGQZ-JYJNAYRXSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000665758392 452328005 /nfs/dbraw/zinc/32/80/05/452328005.db2.gz HAQMCMSNNPMGQZ-JYJNAYRXSA-N 2 1 328.501 1.109 20 0 EDADMP CCO[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652137627 452332215 /nfs/dbraw/zinc/33/22/15/452332215.db2.gz RFLUJOFYAGTDFE-QKPAOTATSA-N 2 1 326.485 1.112 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000665760878 452336696 /nfs/dbraw/zinc/33/66/96/452336696.db2.gz QZCSNHLBRBIHPX-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000665760878 452336705 /nfs/dbraw/zinc/33/67/05/452336705.db2.gz QZCSNHLBRBIHPX-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCCO1 ZINC000665763493 452342752 /nfs/dbraw/zinc/34/27/52/452342752.db2.gz CFEAOIFKIQMWBU-IRXDYDNUSA-N 2 1 342.528 1.715 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCCO1 ZINC000665763493 452342760 /nfs/dbraw/zinc/34/27/60/452342760.db2.gz CFEAOIFKIQMWBU-IRXDYDNUSA-N 2 1 342.528 1.715 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCCO1 ZINC000665763069 452343098 /nfs/dbraw/zinc/34/30/98/452343098.db2.gz YAULMFKDVSWSEX-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCCO1 ZINC000665763069 452343107 /nfs/dbraw/zinc/34/31/07/452343107.db2.gz YAULMFKDVSWSEX-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP COc1cccc([C@H]([NH3+])C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638059408 452347514 /nfs/dbraw/zinc/34/75/14/452347514.db2.gz GAQYOMROWTWXNA-VBQJREDUSA-N 2 1 335.448 1.311 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000638062916 452357724 /nfs/dbraw/zinc/35/77/24/452357724.db2.gz JYQOHXZHIZTWOK-IHETXDGRSA-N 2 1 347.459 1.028 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000663630135 452370026 /nfs/dbraw/zinc/37/00/26/452370026.db2.gz NAMQATVRHZKNOY-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP COC[C@]1(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCCC[NH2+]1 ZINC000638068133 452371289 /nfs/dbraw/zinc/37/12/89/452371289.db2.gz VKCLNEYEZLXTTH-AEFFLSMTSA-N 2 1 325.497 1.916 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000638070497 452378810 /nfs/dbraw/zinc/37/88/10/452378810.db2.gz YVCGQNBHZZWLSY-MPGHIAIKSA-N 2 1 333.476 1.802 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000638073209 452384452 /nfs/dbraw/zinc/38/44/52/452384452.db2.gz MFZBEZSCOAWOCB-JDFRZJQESA-N 2 1 337.489 1.378 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000638073209 452384463 /nfs/dbraw/zinc/38/44/63/452384463.db2.gz MFZBEZSCOAWOCB-JDFRZJQESA-N 2 1 337.489 1.378 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000638076249 452390330 /nfs/dbraw/zinc/39/03/30/452390330.db2.gz XGVCJMHXEWFIOL-LEUOFYLZSA-N 2 1 331.460 1.662 20 0 EDADMP C[NH+]1CCC(n2ccc(NC(=O)N3CC[N@@H+](C)C(C)(C)C3)n2)CC1 ZINC000640089231 452415640 /nfs/dbraw/zinc/41/56/40/452415640.db2.gz RJLWOKOYTXOFSN-UHFFFAOYSA-N 2 1 334.468 1.708 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC2([NH3+])CCCC2)CC[N@H+]1CCOC ZINC000659573436 452429192 /nfs/dbraw/zinc/42/91/92/452429192.db2.gz NOAPOJWUEQKWRR-HNNXBMFYSA-N 2 1 326.485 1.400 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654386135 452438508 /nfs/dbraw/zinc/43/85/08/452438508.db2.gz UJBKIVSLCNQJTJ-UUAJXVIYSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654386135 452438517 /nfs/dbraw/zinc/43/85/17/452438517.db2.gz UJBKIVSLCNQJTJ-UUAJXVIYSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654386135 452438525 /nfs/dbraw/zinc/43/85/25/452438525.db2.gz UJBKIVSLCNQJTJ-UUAJXVIYSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654386135 452438534 /nfs/dbraw/zinc/43/85/34/452438534.db2.gz UJBKIVSLCNQJTJ-UUAJXVIYSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000663715238 452452119 /nfs/dbraw/zinc/45/21/19/452452119.db2.gz DJIMHJZUFIOZRB-YESZJQIVSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000663715238 452452123 /nfs/dbraw/zinc/45/21/23/452452123.db2.gz DJIMHJZUFIOZRB-YESZJQIVSA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000663715238 452452128 /nfs/dbraw/zinc/45/21/28/452452128.db2.gz DJIMHJZUFIOZRB-YESZJQIVSA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000663715238 452452136 /nfs/dbraw/zinc/45/21/36/452452136.db2.gz DJIMHJZUFIOZRB-YESZJQIVSA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000663715238 452452140 /nfs/dbraw/zinc/45/21/40/452452140.db2.gz DJIMHJZUFIOZRB-YESZJQIVSA-N 3 1 339.528 1.184 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654405270 452456747 /nfs/dbraw/zinc/45/67/47/452456747.db2.gz HRUZXZDPUMUHAW-QXSJWSMHSA-N 2 1 328.501 1.514 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654405270 452456754 /nfs/dbraw/zinc/45/67/54/452456754.db2.gz HRUZXZDPUMUHAW-QXSJWSMHSA-N 2 1 328.501 1.514 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)ncn3)CC[C@@H]21 ZINC000663720243 452458044 /nfs/dbraw/zinc/45/80/44/452458044.db2.gz HLJZEHVOTGBVNL-CVEARBPZSA-N 2 1 345.491 1.748 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000659612941 452469636 /nfs/dbraw/zinc/46/96/36/452469636.db2.gz YIOLZVDVSWPTEG-GVDBMIGSSA-N 2 1 348.491 1.166 20 0 EDADMP C[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654429763 452485638 /nfs/dbraw/zinc/48/56/38/452485638.db2.gz XOBDIULEVPSSIB-SOUVJXGZSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654429763 452485651 /nfs/dbraw/zinc/48/56/51/452485651.db2.gz XOBDIULEVPSSIB-SOUVJXGZSA-N 2 1 326.485 1.125 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@H]2COC[C@]2(C)C1)c1ccccc1 ZINC000661698843 452503126 /nfs/dbraw/zinc/50/31/26/452503126.db2.gz BELMZKGHXMPXSA-SCTDSRPQSA-N 2 1 331.460 1.374 20 0 EDADMP C(Cc1nnc2n1CCCCC2)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655685462 452509134 /nfs/dbraw/zinc/50/91/34/452509134.db2.gz DQOGHMWRSKIIAR-INIZCTEOSA-N 2 1 333.480 1.390 20 0 EDADMP O[C@]12C[C@H]1C[NH+](Cc1cccc(C[N@H+]3CC[C@@]4(O)C[C@H]4C3)c1)CC2 ZINC000661719056 452527046 /nfs/dbraw/zinc/52/70/46/452527046.db2.gz OZWDSRUBEOCYNA-VNTMZGSJSA-N 2 1 328.456 1.600 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(S(=O)(=O)NC3CC3)cc1)C2 ZINC000652352671 452529033 /nfs/dbraw/zinc/52/90/33/452529033.db2.gz LZEZEGRVGQZJIP-YJBOKZPZSA-N 2 1 349.500 1.688 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(S(=O)(=O)NC3CC3)cc1)C2 ZINC000652352671 452529045 /nfs/dbraw/zinc/52/90/45/452529045.db2.gz LZEZEGRVGQZJIP-YJBOKZPZSA-N 2 1 349.500 1.688 20 0 EDADMP Cc1c(N(C)CC[NH+](C)C2CC2)ncnc1N(C)CC[N@@H+](C)C1CC1 ZINC000663811028 452538977 /nfs/dbraw/zinc/53/89/77/452538977.db2.gz SLLPESSPUVURGK-UHFFFAOYSA-N 2 1 346.523 1.846 20 0 EDADMP COc1cc2ccnc(N3CC[N@@H+](CCO)[C@@H](C)C3)c2cc1OC ZINC000663823517 452549202 /nfs/dbraw/zinc/54/92/02/452549202.db2.gz WAUVQUCXFWXPPG-ZDUSSCGKSA-N 2 1 331.416 1.755 20 0 EDADMP COc1cc2ccnc(N3CCN(CCO)[C@@H](C)C3)c2cc1OC ZINC000663823517 452549208 /nfs/dbraw/zinc/54/92/08/452549208.db2.gz WAUVQUCXFWXPPG-ZDUSSCGKSA-N 2 1 331.416 1.755 20 0 EDADMP C[C@H](Cn1cncn1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000657817429 452550100 /nfs/dbraw/zinc/55/01/00/452550100.db2.gz OGYMPYLJIAWYMG-CABCVRRESA-N 2 1 334.493 1.306 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000655741884 452550341 /nfs/dbraw/zinc/55/03/41/452550341.db2.gz RSHDDSGMMZAYPS-FUHWJXTLSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000655741884 452550353 /nfs/dbraw/zinc/55/03/53/452550353.db2.gz RSHDDSGMMZAYPS-FUHWJXTLSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000655741884 452550360 /nfs/dbraw/zinc/55/03/60/452550360.db2.gz RSHDDSGMMZAYPS-FUHWJXTLSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000655741884 452550369 /nfs/dbraw/zinc/55/03/69/452550369.db2.gz RSHDDSGMMZAYPS-FUHWJXTLSA-N 2 1 346.475 1.319 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659689176 452566438 /nfs/dbraw/zinc/56/64/38/452566438.db2.gz VSTVYURUCCQPCU-HZPDHXFCSA-N 2 1 340.512 1.247 20 0 EDADMP C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000661770668 452566625 /nfs/dbraw/zinc/56/66/25/452566625.db2.gz GYFQKJBLWCPPES-JENIJYKNSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@H](O)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000661770668 452566630 /nfs/dbraw/zinc/56/66/30/452566630.db2.gz GYFQKJBLWCPPES-JENIJYKNSA-N 2 1 345.487 1.737 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835306 452569244 /nfs/dbraw/zinc/56/92/44/452569244.db2.gz UBSYWVDEGKWTGX-JKSUJKDBSA-N 2 1 348.491 1.098 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835306 452569254 /nfs/dbraw/zinc/56/92/54/452569254.db2.gz UBSYWVDEGKWTGX-JKSUJKDBSA-N 2 1 348.491 1.098 20 0 EDADMP COC[C@H](CC1CCOCC1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657874214 452584039 /nfs/dbraw/zinc/58/40/39/452584039.db2.gz YKDHNNWHSVDMEI-SFHVURJKSA-N 2 1 327.513 1.435 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)NCC[N@H+]2CCCC2(C)C)ccn1 ZINC000654534399 452615748 /nfs/dbraw/zinc/61/57/48/452615748.db2.gz WERJQTHHEKRCNU-UHFFFAOYSA-N 2 1 334.464 1.626 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659725517 452619279 /nfs/dbraw/zinc/61/92/79/452619279.db2.gz XUXDDJXDFMDULQ-BBRMVZONSA-N 2 1 346.475 1.312 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]1 ZINC000647905657 452646326 /nfs/dbraw/zinc/64/63/26/452646326.db2.gz IOLKOWSYPCMPOR-QZTJIDSGSA-N 3 1 336.524 1.346 20 0 EDADMP [NH3+]C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655911443 452668056 /nfs/dbraw/zinc/66/80/56/452668056.db2.gz JJHDBRWRVMFZJF-KBPBESRZSA-N 2 1 344.381 1.840 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655919994 452682489 /nfs/dbraw/zinc/68/24/89/452682489.db2.gz RNEZTPBZAFZRIA-KBPBESRZSA-N 2 1 344.381 1.792 20 0 EDADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000647990203 452733244 /nfs/dbraw/zinc/73/32/44/452733244.db2.gz FOBRHBONYLNBEG-OAHLLOKOSA-N 2 1 343.479 1.415 20 0 EDADMP CCN(C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000664032851 452733184 /nfs/dbraw/zinc/73/31/84/452733184.db2.gz CUPQUOWPLBXXSI-OAHLLOKOSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650217 452744691 /nfs/dbraw/zinc/74/46/91/452744691.db2.gz VDLINHGWOMYETJ-NCOADZHNSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650217 452744697 /nfs/dbraw/zinc/74/46/97/452744697.db2.gz VDLINHGWOMYETJ-NCOADZHNSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650217 452744706 /nfs/dbraw/zinc/74/47/06/452744706.db2.gz VDLINHGWOMYETJ-NCOADZHNSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650217 452744712 /nfs/dbraw/zinc/74/47/12/452744712.db2.gz VDLINHGWOMYETJ-NCOADZHNSA-N 2 1 340.512 1.467 20 0 EDADMP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654650927 452748967 /nfs/dbraw/zinc/74/89/67/452748967.db2.gz PUOHTYLCBGOXSA-MWDXBVQZSA-N 2 1 340.512 1.467 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654650927 452748974 /nfs/dbraw/zinc/74/89/74/452748974.db2.gz PUOHTYLCBGOXSA-MWDXBVQZSA-N 2 1 340.512 1.467 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654650927 452748977 /nfs/dbraw/zinc/74/89/77/452748977.db2.gz PUOHTYLCBGOXSA-MWDXBVQZSA-N 2 1 340.512 1.467 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654650927 452748985 /nfs/dbraw/zinc/74/89/85/452748985.db2.gz PUOHTYLCBGOXSA-MWDXBVQZSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969348 452749759 /nfs/dbraw/zinc/74/97/59/452749759.db2.gz HRCQCWFHDSFLSQ-IFTGGNMHSA-N 2 1 338.496 1.171 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969348 452749765 /nfs/dbraw/zinc/74/97/65/452749765.db2.gz HRCQCWFHDSFLSQ-IFTGGNMHSA-N 2 1 338.496 1.171 20 0 EDADMP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648117416 452832905 /nfs/dbraw/zinc/83/29/05/452832905.db2.gz ZJIVLHOAJXOAQT-RBSFLKMASA-N 2 1 336.505 1.730 20 0 EDADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@]1(O)CCCOC1 ZINC000658317575 452845000 /nfs/dbraw/zinc/84/50/00/452845000.db2.gz SCMNRWZEZMVFAS-FUHWJXTLSA-N 2 1 326.481 1.397 20 0 EDADMP COC1CC[NH+](CCNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654730944 452849212 /nfs/dbraw/zinc/84/92/12/452849212.db2.gz ZKTQTYFXDLPPMC-IAGOWNOFSA-N 2 1 338.496 1.413 20 0 EDADMP c1cnc2c(n1)CCN(CCCCC[N@H+]1CCc3nccnc3C1)C2 ZINC000662123113 452860500 /nfs/dbraw/zinc/86/05/00/452860500.db2.gz XEQSHOWRFNUDHT-UHFFFAOYSA-N 2 1 338.459 1.853 20 0 EDADMP c1cnc2c(n1)CC[NH+](CCCCC[N@@H+]1CCc3nccnc3C1)C2 ZINC000662123113 452860508 /nfs/dbraw/zinc/86/05/08/452860508.db2.gz XEQSHOWRFNUDHT-UHFFFAOYSA-N 2 1 338.459 1.853 20 0 EDADMP c1cnc2c(n1)CC[NH+](CCCCC[N@H+]1CCc3nccnc3C1)C2 ZINC000662123113 452860514 /nfs/dbraw/zinc/86/05/14/452860514.db2.gz XEQSHOWRFNUDHT-UHFFFAOYSA-N 2 1 338.459 1.853 20 0 EDADMP CC[N@@H+](CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000652708145 452860849 /nfs/dbraw/zinc/86/08/49/452860849.db2.gz NALQFGZCZCXETA-MRXNPFEDSA-N 2 1 338.496 1.097 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654736996 452867710 /nfs/dbraw/zinc/86/77/10/452867710.db2.gz GVJSTUSCDFTTRZ-QBPKDAKJSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654736996 452867718 /nfs/dbraw/zinc/86/77/18/452867718.db2.gz GVJSTUSCDFTTRZ-QBPKDAKJSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654736996 452867725 /nfs/dbraw/zinc/86/77/25/452867725.db2.gz GVJSTUSCDFTTRZ-QBPKDAKJSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nccc(-c2cnccn2)n1 ZINC000664196205 452869479 /nfs/dbraw/zinc/86/94/79/452869479.db2.gz QNVULLBVUAGUOJ-AWEZNQCLSA-N 2 1 329.452 1.618 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nccc(-c2cnccn2)n1 ZINC000664196205 452869488 /nfs/dbraw/zinc/86/94/88/452869488.db2.gz QNVULLBVUAGUOJ-AWEZNQCLSA-N 2 1 329.452 1.618 20 0 EDADMP Cc1cnc2cc(C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)ccn12 ZINC000654775946 452907470 /nfs/dbraw/zinc/90/74/70/452907470.db2.gz ZKYGDRCJSDPVGY-MRXNPFEDSA-N 3 1 341.459 1.541 20 0 EDADMP Cc1cnc2cc(C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)ccn12 ZINC000654775946 452907481 /nfs/dbraw/zinc/90/74/81/452907481.db2.gz ZKYGDRCJSDPVGY-MRXNPFEDSA-N 3 1 341.459 1.541 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C[C@@H]3OCc4ccccc43)C2)CC1 ZINC000654775741 452908551 /nfs/dbraw/zinc/90/85/51/452908551.db2.gz SJCMQTXQPXHSGR-LPHOPBHVSA-N 2 1 343.471 1.933 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C[C@@H]3OCc4ccccc43)C2)CC1 ZINC000654775741 452908552 /nfs/dbraw/zinc/90/85/52/452908552.db2.gz SJCMQTXQPXHSGR-LPHOPBHVSA-N 2 1 343.471 1.933 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCOCc2ccccc2)CC1 ZINC000660013148 452922808 /nfs/dbraw/zinc/92/28/08/452922808.db2.gz PCBUJBZZQLQMAN-SFHVURJKSA-N 2 1 331.460 1.442 20 0 EDADMP c1ccc(C[N@@H+]2CCC[C@]3(CCN(C[C@@H]4C[NH2+]CCO4)C3)C2)cc1 ZINC000662264116 452994413 /nfs/dbraw/zinc/99/44/13/452994413.db2.gz RIDLQUUSOTZOGW-PMACEKPBSA-N 2 1 329.488 1.963 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]([NH3+])CC3CCCCC3)CC2)C1 ZINC000646002967 452997695 /nfs/dbraw/zinc/99/76/95/452997695.db2.gz LRRQKGCHXKEMRG-QZTJIDSGSA-N 2 1 336.524 1.523 20 0 EDADMP CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662278216 453004294 /nfs/dbraw/zinc/00/42/94/453004294.db2.gz YSDZIBPLFDKAHS-MRXNPFEDSA-N 2 1 344.503 1.365 20 0 EDADMP C[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662357025 453072350 /nfs/dbraw/zinc/07/23/50/453072350.db2.gz SKAIDIDHLVIKGG-CYBMUJFWSA-N 2 1 326.238 1.659 20 0 EDADMP O=c1n2ccccc2nn1CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296864 453019153 /nfs/dbraw/zinc/01/91/53/453019153.db2.gz NZHUAIIOUGTBOM-INIZCTEOSA-N 2 1 329.448 1.208 20 0 EDADMP O=C(C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3)NC1CC[NH+](C2CC2)CC1 ZINC000662317303 453032770 /nfs/dbraw/zinc/03/27/70/453032770.db2.gz PSQNEPLQNIIXOH-BGYRXZFFSA-N 2 1 347.503 1.622 20 0 EDADMP CC(C)COCC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662339004 453056299 /nfs/dbraw/zinc/05/62/99/453056299.db2.gz ZCDMHVSGDZCIDP-MRXNPFEDSA-N 2 1 335.496 1.671 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c2cccs2)CC1 ZINC000662347687 453063468 /nfs/dbraw/zinc/06/34/68/453063468.db2.gz JFFGTUORRMCJNU-QLFBSQMISA-N 2 1 336.505 1.280 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646066071 453078081 /nfs/dbraw/zinc/07/80/81/453078081.db2.gz CKCCBGNUDWOKSV-RDJZCZTQSA-N 2 1 330.476 1.311 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)C1CCOCC1 ZINC000664443067 453099233 /nfs/dbraw/zinc/09/92/33/453099233.db2.gz BCCGVVMFUYPZDX-GJZGRUSLSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)C1CCOCC1 ZINC000664443067 453099242 /nfs/dbraw/zinc/09/92/42/453099242.db2.gz BCCGVVMFUYPZDX-GJZGRUSLSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000646186656 453200719 /nfs/dbraw/zinc/20/07/19/453200719.db2.gz DIJZKNQMZSGSMZ-JKSUJKDBSA-N 2 1 348.495 1.019 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000648720647 453208287 /nfs/dbraw/zinc/20/82/87/453208287.db2.gz ZZOOOQOTTSGSNC-KRWDZBQOSA-N 2 1 347.507 1.637 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2)CC1 ZINC000646214274 453226122 /nfs/dbraw/zinc/22/61/22/453226122.db2.gz QWXNFUWGZASYDU-JKSUJKDBSA-N 2 1 339.528 1.312 20 0 EDADMP C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000666910514 453233100 /nfs/dbraw/zinc/23/31/00/453233100.db2.gz ATJLKZPUGAJUNU-ZDUSSCGKSA-N 2 1 326.444 1.837 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000666910514 453233108 /nfs/dbraw/zinc/23/31/08/453233108.db2.gz ATJLKZPUGAJUNU-ZDUSSCGKSA-N 2 1 326.444 1.837 20 0 EDADMP C[NH+]1CC[C@@H](CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000666910514 453233115 /nfs/dbraw/zinc/23/31/15/453233115.db2.gz ATJLKZPUGAJUNU-ZDUSSCGKSA-N 2 1 326.444 1.837 20 0 EDADMP C[NH+]1CC[C@@H](CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000666910514 453233121 /nfs/dbraw/zinc/23/31/21/453233121.db2.gz ATJLKZPUGAJUNU-ZDUSSCGKSA-N 2 1 326.444 1.837 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000666924466 453250742 /nfs/dbraw/zinc/25/07/42/453250742.db2.gz GHLWPHUCNSPEHG-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000666924466 453250749 /nfs/dbraw/zinc/25/07/49/453250749.db2.gz GHLWPHUCNSPEHG-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC000653112950 453299846 /nfs/dbraw/zinc/29/98/46/453299846.db2.gz NPGUVHJEZDTGBO-HKUYNNGSSA-N 2 1 331.460 1.379 20 0 EDADMP CCn1ccnc1CNC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000651131010 453300912 /nfs/dbraw/zinc/30/09/12/453300912.db2.gz DJABMYZBSOVACY-QGZVFWFLSA-N 2 1 341.459 1.971 20 0 EDADMP CCn1ccnc1CNC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000651131010 453300922 /nfs/dbraw/zinc/30/09/22/453300922.db2.gz DJABMYZBSOVACY-QGZVFWFLSA-N 2 1 341.459 1.971 20 0 EDADMP C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000653122367 453313396 /nfs/dbraw/zinc/31/33/96/453313396.db2.gz VACBTITYZBEJLC-LULLPPNCSA-N 2 1 345.487 1.910 20 0 EDADMP C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000653122367 453313400 /nfs/dbraw/zinc/31/34/00/453313400.db2.gz VACBTITYZBEJLC-LULLPPNCSA-N 2 1 345.487 1.910 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000651195080 453345604 /nfs/dbraw/zinc/34/56/04/453345604.db2.gz AZKNZOCMRVISGK-MRXNPFEDSA-N 2 1 342.528 1.451 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000651195080 453345612 /nfs/dbraw/zinc/34/56/12/453345612.db2.gz AZKNZOCMRVISGK-MRXNPFEDSA-N 2 1 342.528 1.451 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000651195080 453345618 /nfs/dbraw/zinc/34/56/18/453345618.db2.gz AZKNZOCMRVISGK-MRXNPFEDSA-N 2 1 342.528 1.451 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000662658867 453370487 /nfs/dbraw/zinc/37/04/87/453370487.db2.gz KTWNLLDDULTLKY-LSDHHAIUSA-N 2 1 325.403 1.744 20 0 EDADMP CC(C)(CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000662679874 453399371 /nfs/dbraw/zinc/39/93/71/453399371.db2.gz QQYKJRZKMQVQMY-SJORKVTESA-N 2 1 331.460 1.303 20 0 EDADMP [NH3+]CCOCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662712061 453435980 /nfs/dbraw/zinc/43/59/80/453435980.db2.gz DPUROOVSWKBVKF-QGZVFWFLSA-N 2 1 331.460 1.380 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@@H]1c1cccs1 ZINC000662746962 453476651 /nfs/dbraw/zinc/47/66/51/453476651.db2.gz ZOGLBUYSGCOFTK-IXYNUQLISA-N 2 1 337.489 1.611 20 0 EDADMP COCC1([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCOCC1 ZINC000660636170 453477248 /nfs/dbraw/zinc/47/72/48/453477248.db2.gz QGTOCGPXHFBPPV-UHFFFAOYSA-N 2 1 334.460 1.804 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662749923 453483110 /nfs/dbraw/zinc/48/31/10/453483110.db2.gz IKQYPQLUJACAPN-QRVBRYPASA-N 2 1 345.487 1.721 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646577810 453485189 /nfs/dbraw/zinc/48/51/89/453485189.db2.gz QOQANTXLFPLCOF-IBGZPJMESA-N 2 1 345.487 1.705 20 0 EDADMP C[NH+]1CCC(CNC(=O)C2([NH2+]C3CC3)CCC2)(N2CCCCC2)CC1 ZINC000662758094 453496963 /nfs/dbraw/zinc/49/69/63/453496963.db2.gz REVRTAACJRUBSB-UHFFFAOYSA-N 2 1 348.535 1.728 20 0 EDADMP O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674243 453504366 /nfs/dbraw/zinc/50/43/66/453504366.db2.gz NXIPBKWXTFLGMN-WOJBJXKFSA-N 2 1 348.487 1.797 20 0 EDADMP [NH3+][C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc(F)cc1F ZINC000662784516 453517752 /nfs/dbraw/zinc/51/77/52/453517752.db2.gz KNLVWDUWELYEIF-OAGGEKHMSA-N 2 1 339.386 1.319 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655446120 453534326 /nfs/dbraw/zinc/53/43/26/453534326.db2.gz CUUGORUDENVMHI-RMJJICAUSA-N 2 1 348.535 1.393 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H](C)C1 ZINC000655448809 453536345 /nfs/dbraw/zinc/53/63/45/453536345.db2.gz YDPJNKWLAIITHJ-LSTDLKDCSA-N 2 1 337.508 1.629 20 0 EDADMP [NH3+]Cc1ccc(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)o1 ZINC000662861091 453576665 /nfs/dbraw/zinc/57/66/65/453576665.db2.gz XEDHJIFUADQQJL-OAHLLOKOSA-N 2 1 329.400 1.235 20 0 EDADMP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900532 453593700 /nfs/dbraw/zinc/59/37/00/453593700.db2.gz NCKGAZIYTGDZTM-IBGZPJMESA-N 2 1 342.487 1.530 20 0 EDADMP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900532 453593704 /nfs/dbraw/zinc/59/37/04/453593704.db2.gz NCKGAZIYTGDZTM-IBGZPJMESA-N 2 1 342.487 1.530 20 0 EDADMP [NH3+]C1(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC2(CCC2)C1 ZINC000662912990 453599785 /nfs/dbraw/zinc/59/97/85/453599785.db2.gz MGTSXHAZGPRGLR-HUUCEWRRSA-N 2 1 333.476 1.408 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000665289865 453637298 /nfs/dbraw/zinc/63/72/98/453637298.db2.gz ZHPCPBLVWGAANG-QFBILLFUSA-N 2 1 346.519 1.525 20 0 EDADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005659 453644182 /nfs/dbraw/zinc/64/41/82/453644182.db2.gz XFVJBZZXNPEJLX-MIALQEHNSA-N 2 1 349.519 1.757 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000665357776 453665716 /nfs/dbraw/zinc/66/57/16/453665716.db2.gz VSFNCDPYKZPILA-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000665357776 453665717 /nfs/dbraw/zinc/66/57/17/453665717.db2.gz VSFNCDPYKZPILA-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000665357776 453665719 /nfs/dbraw/zinc/66/57/19/453665719.db2.gz VSFNCDPYKZPILA-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000665357776 453665721 /nfs/dbraw/zinc/66/57/21/453665721.db2.gz VSFNCDPYKZPILA-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000661402618 453811669 /nfs/dbraw/zinc/81/16/69/453811669.db2.gz HKEUJZCAEMHQJF-HUUCEWRRSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000661402618 453811671 /nfs/dbraw/zinc/81/16/71/453811671.db2.gz HKEUJZCAEMHQJF-HUUCEWRRSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000661402618 453811672 /nfs/dbraw/zinc/81/16/72/453811672.db2.gz HKEUJZCAEMHQJF-HUUCEWRRSA-N 2 1 340.512 1.346 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000683224583 486661389 /nfs/dbraw/zinc/66/13/89/486661389.db2.gz MNXCEEBEMQKXLX-MSOLQXFVSA-N 2 1 326.440 1.942 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000683224583 486661391 /nfs/dbraw/zinc/66/13/91/486661391.db2.gz MNXCEEBEMQKXLX-MSOLQXFVSA-N 2 1 326.440 1.942 20 0 EDADMP C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676246600 486706585 /nfs/dbraw/zinc/70/65/85/486706585.db2.gz XGONBSJYCXTMTE-CBZIJGRNSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246600 486706587 /nfs/dbraw/zinc/70/65/87/486706587.db2.gz XGONBSJYCXTMTE-CBZIJGRNSA-N 2 1 340.512 1.515 20 0 EDADMP Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000680188998 486717175 /nfs/dbraw/zinc/71/71/75/486717175.db2.gz BLXSKYZCZRYTAF-LBPRGKRZSA-N 2 1 342.447 1.916 20 0 EDADMP C[NH2+]CCN(C)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417038591 486791975 /nfs/dbraw/zinc/79/19/75/486791975.db2.gz JMQGNQBNVFHBNQ-INIZCTEOSA-N 2 1 333.480 1.058 20 0 EDADMP CNS(=O)(=O)CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000684006048 486908936 /nfs/dbraw/zinc/90/89/36/486908936.db2.gz YIZFWQMAOVTJKU-UHFFFAOYSA-N 2 1 340.493 1.338 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnc3c(c2)C[NH2+]CC3)[C@@H](C)C1 ZINC000667799544 486970082 /nfs/dbraw/zinc/97/00/82/486970082.db2.gz XQMILADSTMMXEY-SUMWQHHRSA-N 2 1 331.464 1.921 20 0 EDADMP CN(c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1)S(C)(=O)=O ZINC000677242015 487018952 /nfs/dbraw/zinc/01/89/52/487018952.db2.gz WDERPLGREBPQAS-RDJZCZTQSA-N 2 1 337.489 1.799 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H](C[NH+](C)C)C1)n2C ZINC000673838811 487128168 /nfs/dbraw/zinc/12/81/68/487128168.db2.gz SFBSWPGCCSGZSD-LBPRGKRZSA-N 2 1 330.436 1.058 20 0 EDADMP CCC(CC)[C@@H](C(=O)N(C)CCCC[NH+](C)C)[NH+]1CCOCC1 ZINC000673840661 487129169 /nfs/dbraw/zinc/12/91/69/487129169.db2.gz KTZSUTKDIYZYJB-KRWDZBQOSA-N 2 1 327.513 1.924 20 0 EDADMP C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685441693 487275172 /nfs/dbraw/zinc/27/51/72/487275172.db2.gz LGYQVLUGWFHGOP-IEBWSBKVSA-N 2 1 347.503 1.922 20 0 EDADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000682230412 487326372 /nfs/dbraw/zinc/32/63/72/487326372.db2.gz VEXCSJHGYOSVCX-UHFFFAOYSA-N 2 1 345.451 1.224 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCc3nccn3C2)CC1 ZINC000682474271 487371735 /nfs/dbraw/zinc/37/17/35/487371735.db2.gz YZZRBXGHTVJVLO-AWEZNQCLSA-N 2 1 340.431 1.231 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675114105 487379524 /nfs/dbraw/zinc/37/95/24/487379524.db2.gz FSADUQOQLUXFFY-WMLDXEAASA-N 2 1 329.448 1.396 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000675178382 487385438 /nfs/dbraw/zinc/38/54/38/487385438.db2.gz POXMQSOXOWYPQL-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000682556144 487388429 /nfs/dbraw/zinc/38/84/29/487388429.db2.gz DVWQGFKPDWKSPK-JQHSSLGASA-N 2 1 331.460 1.713 20 0 EDADMP C[C@H](NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538602 485520358 /nfs/dbraw/zinc/52/03/58/485520358.db2.gz ZCYQABUQCMWILX-CWRNSKLLSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@H](NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538602 485520363 /nfs/dbraw/zinc/52/03/63/485520363.db2.gz ZCYQABUQCMWILX-CWRNSKLLSA-N 2 1 338.496 1.125 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669288055 485522360 /nfs/dbraw/zinc/52/23/60/485522360.db2.gz OTQWXMWFHPBXOF-FUHWJXTLSA-N 2 1 328.460 1.438 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)c(N2CCCC2)[nH+]1 ZINC000669555501 485556095 /nfs/dbraw/zinc/55/60/95/485556095.db2.gz HACRFRNPWOPVLN-HUUCEWRRSA-N 2 1 331.464 1.882 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000669556062 485559281 /nfs/dbraw/zinc/55/92/81/485559281.db2.gz YLYMRLIZSZUWGL-INIZCTEOSA-N 2 1 331.464 1.884 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669561205 485568375 /nfs/dbraw/zinc/56/83/75/485568375.db2.gz YXUXEQIPVYTNGK-KBAYOESNSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000669573785 485605621 /nfs/dbraw/zinc/60/56/21/485605621.db2.gz WIPRRNNQBKVBET-KBAYOESNSA-N 2 1 330.476 1.948 20 0 EDADMP FC(F)(F)CN1CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000674882476 485698011 /nfs/dbraw/zinc/69/80/11/485698011.db2.gz NVWRHGGLWOINKI-CABCVRRESA-N 2 1 335.414 1.856 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000153285454 485819598 /nfs/dbraw/zinc/81/95/98/485819598.db2.gz RZMTYCRZTKMNDM-CYBMUJFWSA-N 2 1 339.402 1.473 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000344587188 485950698 /nfs/dbraw/zinc/95/06/98/485950698.db2.gz YPYIBDOBSAIIED-UAGQMJEPSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@H](CNC(=O)NC1CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000669367597 486014237 /nfs/dbraw/zinc/01/42/37/486014237.db2.gz UTODNYBYVKWBDM-MRXNPFEDSA-N 2 1 345.491 1.248 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000669389684 486025435 /nfs/dbraw/zinc/02/54/35/486025435.db2.gz UDQXORGNWBISIE-UKRRQHHQSA-N 2 1 336.505 1.936 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000669389684 486025440 /nfs/dbraw/zinc/02/54/40/486025440.db2.gz UDQXORGNWBISIE-UKRRQHHQSA-N 2 1 336.505 1.936 20 0 EDADMP O=C(NCC[C@@H]1CCC[NH2+]C1)NCC[N@@H+]1CCc2sccc2C1 ZINC000669405537 486076629 /nfs/dbraw/zinc/07/66/29/486076629.db2.gz PDICFXXTHCAJKL-AWEZNQCLSA-N 2 1 336.505 1.795 20 0 EDADMP O=C(NCC[C@@H]1CCC[NH2+]C1)NCC[N@H+]1CCc2sccc2C1 ZINC000669405537 486076637 /nfs/dbraw/zinc/07/66/37/486076637.db2.gz PDICFXXTHCAJKL-AWEZNQCLSA-N 2 1 336.505 1.795 20 0 EDADMP C[C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000669418535 486138223 /nfs/dbraw/zinc/13/82/23/486138223.db2.gz PDOPPXKCIQCQTN-VKJFTORMSA-N 2 1 346.475 1.191 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000669420547 486140808 /nfs/dbraw/zinc/14/08/08/486140808.db2.gz PEEFHOWFPQLILH-OAHLLOKOSA-N 2 1 340.418 1.792 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420547 486140800 /nfs/dbraw/zinc/14/08/00/486140800.db2.gz PEEFHOWFPQLILH-OAHLLOKOSA-N 2 1 340.418 1.792 20 0 EDADMP [NH3+]C/C=C/CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000669474442 486227708 /nfs/dbraw/zinc/22/77/08/486227708.db2.gz KWMXEUKVVBLWGU-UWGADRCPSA-N 2 1 328.460 1.996 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC(C)([NH3+])CC2)[C@H](C)C1 ZINC000669486262 486253222 /nfs/dbraw/zinc/25/32/22/486253222.db2.gz OCANGOKYRNITTQ-CVEARBPZSA-N 2 1 340.512 1.646 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669491342 486263459 /nfs/dbraw/zinc/26/34/59/486263459.db2.gz WBXISBVEENIEDG-KZNAEPCWSA-N 2 1 334.508 1.892 20 0 EDADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000669491362 486263846 /nfs/dbraw/zinc/26/38/46/486263846.db2.gz WPWLIAAAOODYSX-SJORKVTESA-N 2 1 334.508 1.890 20 0 EDADMP C[C@H](NC(=O)NCC[NH2+]C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494804 490998647 /nfs/dbraw/zinc/99/86/47/490998647.db2.gz MRKXCRDUWSUAIK-YJBOKZPZSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@H](NC(=O)NCC[NH2+]C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494804 490998648 /nfs/dbraw/zinc/99/86/48/490998648.db2.gz MRKXCRDUWSUAIK-YJBOKZPZSA-N 2 1 346.475 1.327 20 0 EDADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000073385355 491008196 /nfs/dbraw/zinc/00/81/96/491008196.db2.gz VVGFEDDIXPROHN-GOSISDBHSA-N 2 1 330.476 1.846 20 0 EDADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000073385355 491008199 /nfs/dbraw/zinc/00/81/99/491008199.db2.gz VVGFEDDIXPROHN-GOSISDBHSA-N 2 1 330.476 1.846 20 0 EDADMP COC1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000079670952 491011130 /nfs/dbraw/zinc/01/11/30/491011130.db2.gz NFBYHGLOXZBXMS-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638369578 491020731 /nfs/dbraw/zinc/02/07/31/491020731.db2.gz DEFFBAIGWJXVLH-GASCZTMLSA-N 2 1 339.505 1.792 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638369578 491020732 /nfs/dbraw/zinc/02/07/32/491020732.db2.gz DEFFBAIGWJXVLH-GASCZTMLSA-N 2 1 339.505 1.792 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCSCC2)[C@H]1c1ccccc1 ZINC000270245446 536455759 /nfs/dbraw/zinc/45/57/59/536455759.db2.gz DISFWJOWAQPXAC-IAGOWNOFSA-N 2 1 348.516 1.780 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCSCC2)[C@H]1c1ccccc1 ZINC000270245446 536455760 /nfs/dbraw/zinc/45/57/60/536455760.db2.gz DISFWJOWAQPXAC-IAGOWNOFSA-N 2 1 348.516 1.780 20 0 EDADMP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000246953582 534981220 /nfs/dbraw/zinc/98/12/20/534981220.db2.gz USEUKSNONREDET-ZFWWWQNUSA-N 2 1 334.464 1.266 20 0 EDADMP CC1(C)NC(=O)N(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000246953582 534981225 /nfs/dbraw/zinc/98/12/25/534981225.db2.gz USEUKSNONREDET-ZFWWWQNUSA-N 2 1 334.464 1.266 20 0 EDADMP CC1(C)NC(=O)N(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000246953582 534981232 /nfs/dbraw/zinc/98/12/32/534981232.db2.gz USEUKSNONREDET-ZFWWWQNUSA-N 2 1 334.464 1.266 20 0 EDADMP CC1(C)NC(=O)N(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000246953582 534981235 /nfs/dbraw/zinc/98/12/35/534981235.db2.gz USEUKSNONREDET-ZFWWWQNUSA-N 2 1 334.464 1.266 20 0 EDADMP CC(C)(CCC[NH3+])NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000340132067 535011416 /nfs/dbraw/zinc/01/14/16/535011416.db2.gz SNXVKSIAUHLDJK-UHFFFAOYSA-N 2 1 332.492 1.438 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000345632746 535220191 /nfs/dbraw/zinc/22/01/91/535220191.db2.gz FCZHGAGMDFTUGO-ROUUACIJSA-N 2 1 331.460 1.486 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000345632746 535220195 /nfs/dbraw/zinc/22/01/95/535220195.db2.gz FCZHGAGMDFTUGO-ROUUACIJSA-N 2 1 331.460 1.486 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000345632746 535220201 /nfs/dbraw/zinc/22/02/01/535220201.db2.gz FCZHGAGMDFTUGO-ROUUACIJSA-N 2 1 331.460 1.486 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000345632746 535220205 /nfs/dbraw/zinc/22/02/05/535220205.db2.gz FCZHGAGMDFTUGO-ROUUACIJSA-N 2 1 331.460 1.486 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246366165 535274199 /nfs/dbraw/zinc/27/41/99/535274199.db2.gz AFYJISOSQVRMGW-KBPBESRZSA-N 2 1 335.452 1.297 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246366165 535274205 /nfs/dbraw/zinc/27/42/05/535274205.db2.gz AFYJISOSQVRMGW-KBPBESRZSA-N 2 1 335.452 1.297 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000262108954 535343753 /nfs/dbraw/zinc/34/37/53/535343753.db2.gz VOVVRTOVLGSXGK-IRXDYDNUSA-N 2 1 331.460 1.473 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000262108954 535343758 /nfs/dbraw/zinc/34/37/58/535343758.db2.gz VOVVRTOVLGSXGK-IRXDYDNUSA-N 2 1 331.460 1.473 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000261551780 535535728 /nfs/dbraw/zinc/53/57/28/535535728.db2.gz XTNXDFRNEAFRTO-QKLQHJQFSA-N 2 1 345.487 1.910 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)nc1OC ZINC000347384391 535594258 /nfs/dbraw/zinc/59/42/58/535594258.db2.gz AAYPJSCYRHUTRZ-INIZCTEOSA-N 2 1 348.491 1.887 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(OCCOC)c3)C2)CC1 ZINC000093132764 535738023 /nfs/dbraw/zinc/73/80/23/535738023.db2.gz UKTGQRFEWFXXSF-LJQANCHMSA-N 2 1 347.503 1.924 20 0 EDADMP CC[N@H+](C)CCNC(=O)NCc1cccc(C[NH+]2CCO[C@@H](C)C2)c1 ZINC000245392732 535751654 /nfs/dbraw/zinc/75/16/54/535751654.db2.gz UNYUSBLXILFAPQ-INIZCTEOSA-N 2 1 348.491 1.658 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NCc1cccc(C[NH+]2CCO[C@@H](C)C2)c1 ZINC000245392732 535751658 /nfs/dbraw/zinc/75/16/58/535751658.db2.gz UNYUSBLXILFAPQ-INIZCTEOSA-N 2 1 348.491 1.658 20 0 EDADMP CC[NH+](C)CCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000245392732 535751662 /nfs/dbraw/zinc/75/16/62/535751662.db2.gz UNYUSBLXILFAPQ-INIZCTEOSA-N 2 1 348.491 1.658 20 0 EDADMP CC[NH+](C)CCNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000245392732 535751666 /nfs/dbraw/zinc/75/16/66/535751666.db2.gz UNYUSBLXILFAPQ-INIZCTEOSA-N 2 1 348.491 1.658 20 0 EDADMP CCNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000346932625 535787884 /nfs/dbraw/zinc/78/78/84/535787884.db2.gz HRDCXZDGAXEZRQ-CVEARBPZSA-N 2 1 327.513 1.875 20 0 EDADMP C[NH+](C)CCOC1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347771155 535892267 /nfs/dbraw/zinc/89/22/67/535892267.db2.gz IKIYFFYIEZKXKI-UHFFFAOYSA-N 2 1 326.510 1.747 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000333661823 535937064 /nfs/dbraw/zinc/93/70/64/535937064.db2.gz MFUTVYJBAQSXCC-QGZVFWFLSA-N 2 1 334.468 1.394 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000071912671 536006060 /nfs/dbraw/zinc/00/60/60/536006060.db2.gz KHTQOPFVUGNYKF-UHFFFAOYSA-N 2 1 334.464 1.270 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000131746300 536134909 /nfs/dbraw/zinc/13/49/09/536134909.db2.gz OUKIKBLDGFIJBW-MSOLQXFVSA-N 2 1 331.460 1.344 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000131746300 536134912 /nfs/dbraw/zinc/13/49/12/536134912.db2.gz OUKIKBLDGFIJBW-MSOLQXFVSA-N 2 1 331.460 1.344 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000261659383 536406561 /nfs/dbraw/zinc/40/65/61/536406561.db2.gz FDMIZRGWUWCZET-NVXWUHKLSA-N 2 1 344.459 1.388 20 0 EDADMP COC[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261540650 536816747 /nfs/dbraw/zinc/81/67/47/536816747.db2.gz AIEGXGWLNUEYEO-IEBWSBKVSA-N 2 1 331.460 1.393 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000344747532 536877974 /nfs/dbraw/zinc/87/79/74/536877974.db2.gz MQKRVQVBBFYWCP-YTQUADARSA-N 2 1 345.487 1.591 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000344747532 536877982 /nfs/dbraw/zinc/87/79/82/536877982.db2.gz MQKRVQVBBFYWCP-YTQUADARSA-N 2 1 345.487 1.591 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000344747532 536877985 /nfs/dbraw/zinc/87/79/85/536877985.db2.gz MQKRVQVBBFYWCP-YTQUADARSA-N 2 1 345.487 1.591 20 0 EDADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000742194792 579439379 /nfs/dbraw/zinc/43/93/79/579439379.db2.gz JPGUFJIWQNFPNB-KRWDZBQOSA-N 2 1 344.503 1.993 20 0 EDADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000742194792 579439380 /nfs/dbraw/zinc/43/93/80/579439380.db2.gz JPGUFJIWQNFPNB-KRWDZBQOSA-N 2 1 344.503 1.993 20 0 EDADMP C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093420244 578306195 /nfs/dbraw/zinc/30/61/95/578306195.db2.gz GTKSREZERFXLEL-GJZGRUSLSA-N 2 1 342.505 1.880 20 0 EDADMP C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093420244 578306197 /nfs/dbraw/zinc/30/61/97/578306197.db2.gz GTKSREZERFXLEL-GJZGRUSLSA-N 2 1 342.505 1.880 20 0 EDADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000738056737 578478074 /nfs/dbraw/zinc/47/80/74/578478074.db2.gz QAOSMSPWFRXGJI-LSDHHAIUSA-N 2 1 336.480 1.861 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000727072318 578514259 /nfs/dbraw/zinc/51/42/59/578514259.db2.gz LPUZLYOTIDKIND-OAHLLOKOSA-N 2 1 344.569 1.395 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000729606749 578584542 /nfs/dbraw/zinc/58/45/42/578584542.db2.gz PZNQCFTUTNNKOJ-DLBZAZTESA-N 2 1 338.496 1.271 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)[N@@H+](C)C1 ZINC000347065459 578645933 /nfs/dbraw/zinc/64/59/33/578645933.db2.gz IKSZMECTOHAOSI-OALUTQOASA-N 2 1 345.487 1.829 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=S)NCC1CC[NH+](C)CC1 ZINC000760478429 580031689 /nfs/dbraw/zinc/03/16/89/580031689.db2.gz KBZSGXJVWUIVJC-HUUCEWRRSA-N 2 1 326.554 1.913 20 0 EDADMP C[NH+]1CCN(c2ccccc2NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000732233179 578700398 /nfs/dbraw/zinc/70/03/98/578700398.db2.gz PILAMYSVWOVFPV-MRXNPFEDSA-N 2 1 343.475 1.750 20 0 EDADMP C[C@@H](C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000732911494 578735203 /nfs/dbraw/zinc/73/52/03/578735203.db2.gz CDWPGTWMWIVSCJ-INIZCTEOSA-N 2 1 348.491 1.226 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000736227871 578966167 /nfs/dbraw/zinc/96/61/67/578966167.db2.gz AOVWQMUWFSZZFK-INIZCTEOSA-N 2 1 334.464 1.589 20 0 EDADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000746275253 579583946 /nfs/dbraw/zinc/58/39/46/579583946.db2.gz HQDBUOQZUVFTIF-VQIMIIECSA-N 2 1 345.487 1.595 20 0 EDADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000746275253 579583947 /nfs/dbraw/zinc/58/39/47/579583947.db2.gz HQDBUOQZUVFTIF-VQIMIIECSA-N 2 1 345.487 1.595 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000748561766 579692880 /nfs/dbraw/zinc/69/28/80/579692880.db2.gz RKVUOBNXQCFUBX-SFHVURJKSA-N 2 1 331.460 1.870 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)CC[NH+]1CCOCC1)c1ccsc1 ZINC000750855327 579784139 /nfs/dbraw/zinc/78/41/39/579784139.db2.gz SOXJYWSKDONZCV-MRXNPFEDSA-N 2 1 339.505 1.970 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)NC[C@H]2CCCCO2)CC1 ZINC000758210904 579976894 /nfs/dbraw/zinc/97/68/94/579976894.db2.gz URYCSVKYBXWERZ-CQSZACIVSA-N 2 1 349.504 1.689 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000764502244 580121981 /nfs/dbraw/zinc/12/19/81/580121981.db2.gz FOXUYTVLALZURO-UHFFFAOYSA-N 2 1 349.548 1.974 20 0 EDADMP C[NH+]1CCC2(CCCN2C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000768938808 580224594 /nfs/dbraw/zinc/22/45/94/580224594.db2.gz UEPCZCHKSZGLAQ-HOTGVXAUSA-N 2 1 336.480 1.119 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cnn(-c3ccccc3)n2)CC1 ZINC000769945926 580249518 /nfs/dbraw/zinc/24/95/18/580249518.db2.gz DVBNWLMCLHLROC-UHFFFAOYSA-N 2 1 342.491 1.773 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000770717742 580269266 /nfs/dbraw/zinc/26/92/66/580269266.db2.gz YJYSFCFVSLQUAC-CVEARBPZSA-N 2 1 345.491 1.995 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N(C)Cc2ccccc2)C1 ZINC000779657054 580493687 /nfs/dbraw/zinc/49/36/87/580493687.db2.gz ZVELVEDFKFIMSG-INIZCTEOSA-N 2 1 348.447 1.253 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N(C)Cc2ccccc2)C1 ZINC000779657054 580493688 /nfs/dbraw/zinc/49/36/88/580493688.db2.gz ZVELVEDFKFIMSG-INIZCTEOSA-N 2 1 348.447 1.253 20 0 EDADMP C[C@H](C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000780947176 580538528 /nfs/dbraw/zinc/53/85/28/580538528.db2.gz SMRJGRMJEZTNIX-SISKNIMQSA-N 2 1 337.508 1.958 20 0 EDADMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC2 ZINC000794462336 580893521 /nfs/dbraw/zinc/89/35/21/580893521.db2.gz MPUMWTFENLYNCI-OAHLLOKOSA-N 2 1 341.496 1.822 20 0 EDADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC2 ZINC000794462336 580893522 /nfs/dbraw/zinc/89/35/22/580893522.db2.gz MPUMWTFENLYNCI-OAHLLOKOSA-N 2 1 341.496 1.822 20 0 EDADMP C[NH+]1CCN(c2ccccc2NC(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000794759061 580905185 /nfs/dbraw/zinc/90/51/85/580905185.db2.gz QMXLYLHBQPGBNE-UHFFFAOYSA-N 2 1 343.475 1.822 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](c4ccccn4)C3)cn2)CC1 ZINC000798963230 581012589 /nfs/dbraw/zinc/01/25/89/581012589.db2.gz ATCLOLBGWUWHPJ-KRWDZBQOSA-N 2 1 338.459 1.613 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](c4ccccn4)C3)cn2)CC1 ZINC000798963230 581012590 /nfs/dbraw/zinc/01/25/90/581012590.db2.gz ATCLOLBGWUWHPJ-KRWDZBQOSA-N 2 1 338.459 1.613 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cn2)C1 ZINC000799304619 581024732 /nfs/dbraw/zinc/02/47/32/581024732.db2.gz XLIAIGMPXKOIPV-RDJZCZTQSA-N 2 1 325.428 1.687 20 0 EDADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891857436 590658016 /nfs/dbraw/zinc/65/80/16/590658016.db2.gz BEJTURQXGPHLOL-GXTWGEPZSA-N 2 1 330.423 1.547 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891909877 590683970 /nfs/dbraw/zinc/68/39/70/590683970.db2.gz NWPXGSXFCODARQ-HOTGVXAUSA-N 2 1 340.512 1.565 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000892000173 590736805 /nfs/dbraw/zinc/73/68/05/590736805.db2.gz PTEXCNDAZBOCPL-FUHWJXTLSA-N 2 1 330.476 1.868 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000892025715 590756349 /nfs/dbraw/zinc/75/63/49/590756349.db2.gz ZGPLLYSQLMACOC-JLSDUUJJSA-N 2 1 330.476 1.791 20 0 EDADMP COCCOc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)o1 ZINC000893318586 590775775 /nfs/dbraw/zinc/77/57/75/590775775.db2.gz NHVRZRDVWUVEGC-UHFFFAOYSA-N 2 1 325.453 1.422 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000890883205 590830862 /nfs/dbraw/zinc/83/08/62/590830862.db2.gz MTEOQGXFTFQCAR-HXUWFJFHSA-N 2 1 347.503 1.670 20 0 EDADMP COc1nccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1F ZINC000893393831 590835372 /nfs/dbraw/zinc/83/53/72/590835372.db2.gz XIVUDQJLFIFIDE-UHFFFAOYSA-N 2 1 334.395 1.855 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC[N@H+]1CC(C)(C)O ZINC000892387552 591005282 /nfs/dbraw/zinc/00/52/82/591005282.db2.gz RHDIPPNCBCDTEJ-CABCVRRESA-N 2 1 340.512 1.251 20 0 EDADMP CC1(C)CC[C@@H](CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)[NH2+]C1 ZINC000892393361 591008603 /nfs/dbraw/zinc/00/86/03/591008603.db2.gz NOMCXRQCFIRIRM-JKSUJKDBSA-N 2 1 338.496 1.271 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000892401098 591012464 /nfs/dbraw/zinc/01/24/64/591012464.db2.gz YUZOEHWREAADIM-ZWKOTPCHSA-N 2 1 332.492 1.930 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892438360 591028538 /nfs/dbraw/zinc/02/85/38/591028538.db2.gz YSTHJZOHRIWAKX-JYJNAYRXSA-N 2 1 338.496 1.399 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000893699350 591052555 /nfs/dbraw/zinc/05/25/55/591052555.db2.gz KYZDNYUPKSURIP-IRXDYDNUSA-N 2 1 340.512 1.707 20 0 EDADMP CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000892529986 591060667 /nfs/dbraw/zinc/06/06/67/591060667.db2.gz HBJXEZFOOLZUGA-QZTJIDSGSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000892530765 591060748 /nfs/dbraw/zinc/06/07/48/591060748.db2.gz XDCBFOPOYLWXCL-JQHSSLGASA-N 2 1 330.476 1.948 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000892530763 591061249 /nfs/dbraw/zinc/06/12/49/591061249.db2.gz XDAYLNHNFMYXNL-RYQLBKOJSA-N 2 1 346.475 1.327 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC4CC3(C[NH3+])C4)C2)cc1 ZINC000892530726 591061466 /nfs/dbraw/zinc/06/14/66/591061466.db2.gz WBTUYLCTIIKBTO-HFCFLWKCSA-N 2 1 328.460 1.702 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891411302 591070060 /nfs/dbraw/zinc/07/00/60/591070060.db2.gz GFNWTKZAIQGBJO-LSDHHAIUSA-N 2 1 334.489 1.642 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891411302 591070063 /nfs/dbraw/zinc/07/00/63/591070063.db2.gz GFNWTKZAIQGBJO-LSDHHAIUSA-N 2 1 334.489 1.642 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000891412975 591070071 /nfs/dbraw/zinc/07/00/71/591070071.db2.gz VAHJHIIUEIEFIV-HNNXBMFYSA-N 2 1 340.418 1.662 20 0 EDADMP [NH3+][C@H](CCNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000891576263 591132157 /nfs/dbraw/zinc/13/21/57/591132157.db2.gz KDQLCULXRLQCLI-MSOLQXFVSA-N 2 1 330.476 1.730 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891643865 591164963 /nfs/dbraw/zinc/16/49/63/591164963.db2.gz IQQVMWGGDYNUHS-UBDQQSCGSA-N 2 1 328.460 1.653 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892780910 591173359 /nfs/dbraw/zinc/17/33/59/591173359.db2.gz WOXDHAYHMIOOKJ-MRXNPFEDSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC[N@H+]1C ZINC000892804709 591184513 /nfs/dbraw/zinc/18/45/13/591184513.db2.gz IUHCLMMLBIBPGL-OLMNPRSZSA-N 2 1 330.476 1.825 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892804604 591184620 /nfs/dbraw/zinc/18/46/20/591184620.db2.gz XHKLUDWEVFOGHX-FHLIZLRMSA-N 2 1 330.476 1.683 20 0 EDADMP [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000891686083 591185326 /nfs/dbraw/zinc/18/53/26/591185326.db2.gz ZKHYENAIHYVZSS-NDUQDZPOSA-N 2 1 336.480 1.295 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)NCc2cc(N)cc[nH+]2)[C@H]1c1ccccc1 ZINC000891723671 591198691 /nfs/dbraw/zinc/19/86/91/591198691.db2.gz SWENUASXCDQUNJ-IAGOWNOFSA-N 2 1 325.416 1.908 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000891753105 591211569 /nfs/dbraw/zinc/21/15/69/591211569.db2.gz RVGNQVVJMLXNHW-IRXDYDNUSA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000891753105 591211572 /nfs/dbraw/zinc/21/15/72/591211572.db2.gz RVGNQVVJMLXNHW-IRXDYDNUSA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000891753105 591211575 /nfs/dbraw/zinc/21/15/75/591211575.db2.gz RVGNQVVJMLXNHW-IRXDYDNUSA-N 2 1 339.528 1.042 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000892926155 591227065 /nfs/dbraw/zinc/22/70/65/591227065.db2.gz HXSXWXYRRLEMQE-UHFFFAOYSA-N 2 1 337.414 1.965 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1cncs1 ZINC000895667067 591247428 /nfs/dbraw/zinc/24/74/28/591247428.db2.gz XUBFXYOMYAMZLJ-QWHCGFSZSA-N 2 1 327.498 1.775 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1cncs1 ZINC000895667067 591247431 /nfs/dbraw/zinc/24/74/31/591247431.db2.gz XUBFXYOMYAMZLJ-QWHCGFSZSA-N 2 1 327.498 1.775 20 0 EDADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1(C)C ZINC000894253075 591248640 /nfs/dbraw/zinc/24/86/40/591248640.db2.gz FTKGOAPYTALABG-LSDHHAIUSA-N 2 1 329.460 1.236 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)nc2ccccc21 ZINC000895768301 591268768 /nfs/dbraw/zinc/26/87/68/591268768.db2.gz BPQUVEYWQCNECU-ZIAGYGMSSA-N 2 1 326.448 1.862 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1nc2ccccc2c(NC[C@H]2CC[N@@H+]2C)n1 ZINC000895768301 591268769 /nfs/dbraw/zinc/26/87/69/591268769.db2.gz BPQUVEYWQCNECU-ZIAGYGMSSA-N 2 1 326.448 1.862 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1nc2ccccc2c(NC[C@H]2CC[N@H+]2C)n1 ZINC000895768301 591268770 /nfs/dbraw/zinc/26/87/70/591268770.db2.gz BPQUVEYWQCNECU-ZIAGYGMSSA-N 2 1 326.448 1.862 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)C[C@H]2C1 ZINC000895899435 591299595 /nfs/dbraw/zinc/29/95/95/591299595.db2.gz KTARGHWKXYXZNS-FGTMMUONSA-N 2 1 328.460 1.464 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)C[C@H]2C1 ZINC000895899435 591299598 /nfs/dbraw/zinc/29/95/98/591299598.db2.gz KTARGHWKXYXZNS-FGTMMUONSA-N 2 1 328.460 1.464 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)C[C@H]2C1 ZINC000895899435 591299600 /nfs/dbraw/zinc/29/96/00/591299600.db2.gz KTARGHWKXYXZNS-FGTMMUONSA-N 2 1 328.460 1.464 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NC[C@H]3CCC[NH+]3C3CCCCC3)C[C@H]2C1 ZINC000894587330 591354063 /nfs/dbraw/zinc/35/40/63/591354063.db2.gz ADIZNIMYJWKDTB-SOLBZPMBSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)C[C@H]2C1 ZINC000894587330 591354068 /nfs/dbraw/zinc/35/40/68/591354068.db2.gz ADIZNIMYJWKDTB-SOLBZPMBSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)C[C@H]2C1 ZINC000894587330 591354072 /nfs/dbraw/zinc/35/40/72/591354072.db2.gz ADIZNIMYJWKDTB-SOLBZPMBSA-N 2 1 334.508 1.987 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)NCC[NH+]2CCC(C)(C)C2)CC1(C)C ZINC000894600562 591355432 /nfs/dbraw/zinc/35/54/32/591355432.db2.gz DCZVUHBWRGUGLL-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP C[NH+]1CCN(CCNC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1(C)C ZINC000894600562 591355435 /nfs/dbraw/zinc/35/54/35/591355435.db2.gz DCZVUHBWRGUGLL-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP C[NH+]1CCN(CCNC(=O)NCC[N@H+]2CCC(C)(C)C2)CC1(C)C ZINC000894600562 591355439 /nfs/dbraw/zinc/35/54/39/591355439.db2.gz DCZVUHBWRGUGLL-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)C2)cc1 ZINC000896144814 591357473 /nfs/dbraw/zinc/35/74/73/591357473.db2.gz ZKXGMTJOYJEGSH-QYZOEREBSA-N 2 1 342.487 1.915 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4C[NH+](C)C[C@@H]43)C2)cc1 ZINC000896144814 591357479 /nfs/dbraw/zinc/35/74/79/591357479.db2.gz ZKXGMTJOYJEGSH-QYZOEREBSA-N 2 1 342.487 1.915 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4C[NH+](C)C[C@@H]43)C2)cc1 ZINC000896144814 591357483 /nfs/dbraw/zinc/35/74/83/591357483.db2.gz ZKXGMTJOYJEGSH-QYZOEREBSA-N 2 1 342.487 1.915 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000896138832 591360112 /nfs/dbraw/zinc/36/01/12/591360112.db2.gz UNJMIFWJBUNJMX-CZUORRHYSA-N 2 1 335.452 1.017 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](C2CCOCC2)CC1)[NH+]1CCSCC1 ZINC000898634340 591455351 /nfs/dbraw/zinc/45/53/51/591455351.db2.gz QMILAHATIVLLMD-AWEZNQCLSA-N 2 1 341.521 1.183 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@@H+]1CCO ZINC000897455146 591460686 /nfs/dbraw/zinc/46/06/86/591460686.db2.gz LPAQZDRLLFJVSV-CGTJXYLNSA-N 2 1 331.460 1.204 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@H+]1CCO ZINC000897455146 591460690 /nfs/dbraw/zinc/46/06/90/591460690.db2.gz LPAQZDRLLFJVSV-CGTJXYLNSA-N 2 1 331.460 1.204 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC[NH+]1CCO ZINC000897455146 591460694 /nfs/dbraw/zinc/46/06/94/591460694.db2.gz LPAQZDRLLFJVSV-CGTJXYLNSA-N 2 1 331.460 1.204 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC[NH+]1CCO ZINC000897455146 591460696 /nfs/dbraw/zinc/46/06/96/591460696.db2.gz LPAQZDRLLFJVSV-CGTJXYLNSA-N 2 1 331.460 1.204 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNc2cc[nH+]cc2CO)C1 ZINC000895003545 591514620 /nfs/dbraw/zinc/51/46/20/591514620.db2.gz WXKZZYAZQZJHIR-GOSISDBHSA-N 2 1 327.428 1.617 20 0 EDADMP CN(C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12)[C@H]1CCC[N@@H+](C)C1 ZINC000896608969 591552152 /nfs/dbraw/zinc/55/21/52/591552152.db2.gz KPCAIKWCAVJEKB-KKUMJFAQSA-N 2 1 326.510 1.302 20 0 EDADMP CN(C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@H]1CCC[NH+](C)C1 ZINC000896608969 591552155 /nfs/dbraw/zinc/55/21/55/591552155.db2.gz KPCAIKWCAVJEKB-KKUMJFAQSA-N 2 1 326.510 1.302 20 0 EDADMP CN(C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)[C@H]1CCC[NH+](C)C1 ZINC000896608969 591552157 /nfs/dbraw/zinc/55/21/57/591552157.db2.gz KPCAIKWCAVJEKB-KKUMJFAQSA-N 2 1 326.510 1.302 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000896781087 591610475 /nfs/dbraw/zinc/61/04/75/591610475.db2.gz MPUUWUZOIUYPNT-QGZVFWFLSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000895380634 591737588 /nfs/dbraw/zinc/73/75/88/591737588.db2.gz PNWJKBVHLCRMTP-PBHICJAKSA-N 2 1 339.505 1.886 20 0 EDADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000895380634 591737590 /nfs/dbraw/zinc/73/75/90/591737590.db2.gz PNWJKBVHLCRMTP-PBHICJAKSA-N 2 1 339.505 1.886 20 0 EDADMP Cn1nc(Br)nc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000895439847 591758730 /nfs/dbraw/zinc/75/87/30/591758730.db2.gz IRKSPFAGVAKXFL-UHFFFAOYSA-N 2 1 342.285 1.885 20 0 EDADMP Cn1nnnc1CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000898040023 591765586 /nfs/dbraw/zinc/76/55/86/591765586.db2.gz MRCZWWSIKOWYKB-UHFFFAOYSA-N 2 1 346.454 1.579 20 0 EDADMP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000899952701 591839521 /nfs/dbraw/zinc/83/95/21/591839521.db2.gz OZKWVSGKYDHVFN-WMZOPIPTSA-N 2 1 337.508 1.747 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000899952701 591839525 /nfs/dbraw/zinc/83/95/25/591839525.db2.gz OZKWVSGKYDHVFN-WMZOPIPTSA-N 2 1 337.508 1.747 20 0 EDADMP C[NH+](C)C1(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CCCCCC1 ZINC000899977816 591853758 /nfs/dbraw/zinc/85/37/58/591853758.db2.gz SWXZCIBXFSNWNR-SFHVURJKSA-N 2 1 325.497 1.604 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000900046405 591882896 /nfs/dbraw/zinc/88/28/96/591882896.db2.gz ZCDFTEFSHHCLHM-IEBWSBKVSA-N 2 1 331.460 1.176 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000900046405 591882898 /nfs/dbraw/zinc/88/28/98/591882898.db2.gz ZCDFTEFSHHCLHM-IEBWSBKVSA-N 2 1 331.460 1.176 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000900046405 591882900 /nfs/dbraw/zinc/88/29/00/591882900.db2.gz ZCDFTEFSHHCLHM-IEBWSBKVSA-N 2 1 331.460 1.176 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000900157477 591920083 /nfs/dbraw/zinc/92/00/83/591920083.db2.gz FFYOBGNLLVSBSW-MJGOQNOKSA-N 2 1 331.460 1.354 20 0 EDADMP CC[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000900158165 591920254 /nfs/dbraw/zinc/92/02/54/591920254.db2.gz MYZBJHNUUCXYFI-QWFCFKBJSA-N 2 1 345.487 1.395 20 0 EDADMP CC[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000900158165 591920255 /nfs/dbraw/zinc/92/02/55/591920255.db2.gz MYZBJHNUUCXYFI-QWFCFKBJSA-N 2 1 345.487 1.395 20 0 EDADMP CC[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000900158165 591920256 /nfs/dbraw/zinc/92/02/56/591920256.db2.gz MYZBJHNUUCXYFI-QWFCFKBJSA-N 2 1 345.487 1.395 20 0 EDADMP CC[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000900158165 591920257 /nfs/dbraw/zinc/92/02/57/591920257.db2.gz MYZBJHNUUCXYFI-QWFCFKBJSA-N 2 1 345.487 1.395 20 0 EDADMP C[N@H+](CCO)CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000899734563 591929560 /nfs/dbraw/zinc/92/95/60/591929560.db2.gz KWNOGGWZYKCEFB-KRWDZBQOSA-N 2 1 337.439 1.221 20 0 EDADMP C[N@@H+](CCO)CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000899734563 591929563 /nfs/dbraw/zinc/92/95/63/591929563.db2.gz KWNOGGWZYKCEFB-KRWDZBQOSA-N 2 1 337.439 1.221 20 0 EDADMP C[NH+](CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000899734563 591929565 /nfs/dbraw/zinc/92/95/65/591929565.db2.gz KWNOGGWZYKCEFB-KRWDZBQOSA-N 2 1 337.439 1.221 20 0 EDADMP C[NH+](CCO)CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000899734563 591929568 /nfs/dbraw/zinc/92/95/68/591929568.db2.gz KWNOGGWZYKCEFB-KRWDZBQOSA-N 2 1 337.439 1.221 20 0 EDADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900386829 592002921 /nfs/dbraw/zinc/00/29/21/592002921.db2.gz HYZYOWWQVYMLRK-LJQANCHMSA-N 2 1 342.443 1.644 20 0 EDADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900386829 592002924 /nfs/dbraw/zinc/00/29/24/592002924.db2.gz HYZYOWWQVYMLRK-LJQANCHMSA-N 2 1 342.443 1.644 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1c[nH+]ccc1N ZINC000902520888 592010068 /nfs/dbraw/zinc/01/00/68/592010068.db2.gz PVUZHRWFAMWJDZ-VHSXEESVSA-N 2 1 334.811 1.573 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900442350 592019584 /nfs/dbraw/zinc/01/95/84/592019584.db2.gz QDKAZLDYUFMORR-SJORKVTESA-N 2 1 342.443 1.884 20 0 EDADMP C[NH+](C)CCCOc1ccc(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)cc1 ZINC000900565047 592053910 /nfs/dbraw/zinc/05/39/10/592053910.db2.gz DZLOPANLSNDJBV-LPHOPBHVSA-N 2 1 349.475 1.088 20 0 EDADMP Cc1ccc(NCCNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)[nH+]c1 ZINC000900719238 592104277 /nfs/dbraw/zinc/10/42/77/592104277.db2.gz WSLZRFQXOXIPTJ-KRWDZBQOSA-N 2 1 334.464 1.711 20 0 EDADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)cc21 ZINC000900779776 592121701 /nfs/dbraw/zinc/12/17/01/592121701.db2.gz AYANNQOOPXUORX-LPHOPBHVSA-N 2 1 344.459 1.597 20 0 EDADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)cc21 ZINC000900779776 592121703 /nfs/dbraw/zinc/12/17/03/592121703.db2.gz AYANNQOOPXUORX-LPHOPBHVSA-N 2 1 344.459 1.597 20 0 EDADMP O=C1COc2ccccc2CN1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903181855 592132162 /nfs/dbraw/zinc/13/21/62/592132162.db2.gz WRAVRGGVMWVDED-IRXDYDNUSA-N 2 1 329.444 1.624 20 0 EDADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000903269786 592149055 /nfs/dbraw/zinc/14/90/55/592149055.db2.gz BORJBRAKOVAITE-BZSNNMDCSA-N 2 1 339.549 1.799 20 0 EDADMP [NH3+][C@@H]1CCCCC[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903476847 592176105 /nfs/dbraw/zinc/17/61/05/592176105.db2.gz LSTIBFUKMLFPAO-OAHLLOKOSA-N 2 1 345.443 1.503 20 0 EDADMP [NH3+][C@@H]1CCCCC[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903476847 592176107 /nfs/dbraw/zinc/17/61/07/592176107.db2.gz LSTIBFUKMLFPAO-OAHLLOKOSA-N 2 1 345.443 1.503 20 0 EDADMP CCOc1ccccc1OCC[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492366 592185241 /nfs/dbraw/zinc/18/52/41/592185241.db2.gz OFCQRDKYFCDEEX-KHYOSLBOSA-N 2 1 348.443 1.676 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCOc1ccc(Cl)cc1)C2 ZINC000903493697 592186157 /nfs/dbraw/zinc/18/61/57/592186157.db2.gz ZYVHEEOMWUQJGC-QEORTHHSSA-N 2 1 338.835 1.931 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@H]1CC[NH3+] ZINC000903496598 592187767 /nfs/dbraw/zinc/18/77/67/592187767.db2.gz VBGJCYOYBAIPKW-UKRRQHHQSA-N 2 1 344.459 1.434 20 0 EDADMP O=C1CC[C@@H]([NH2+]Cc2csc(Cl)n2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903526754 592198930 /nfs/dbraw/zinc/19/89/30/592198930.db2.gz LNVPQABCOOOBNF-YPMHNXCESA-N 2 1 328.869 1.533 20 0 EDADMP CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000900995389 592200211 /nfs/dbraw/zinc/20/02/11/592200211.db2.gz LONSKCKYQJKXPR-RRFJBIMHSA-N 2 1 337.464 1.003 20 0 EDADMP CCS(=O)(=O)c1c(Cl)cccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396127 592244002 /nfs/dbraw/zinc/24/40/02/592244002.db2.gz DNEYNKWMNWEXHD-UHFFFAOYSA-N 2 1 345.896 1.128 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000906672206 592254016 /nfs/dbraw/zinc/25/40/16/592254016.db2.gz JGFPUVHJQQUIBO-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906679660 592260749 /nfs/dbraw/zinc/26/07/49/592260749.db2.gz WHWGXIPZPTWIMC-ZDUSSCGKSA-N 2 1 332.448 1.320 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000904473148 592268689 /nfs/dbraw/zinc/26/86/89/592268689.db2.gz OLPKJTLXOAILFQ-GVDBMIGSSA-N 2 1 333.480 1.841 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000901161171 592272469 /nfs/dbraw/zinc/27/24/69/592272469.db2.gz XWYUHZUSYQWPRP-UHFFFAOYSA-N 2 1 335.496 1.456 20 0 EDADMP CC(C)(C)CC(=O)N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903725398 592284826 /nfs/dbraw/zinc/28/48/26/592284826.db2.gz ZGTORRYMLJWABB-INIZCTEOSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000903729084 592286179 /nfs/dbraw/zinc/28/61/79/592286179.db2.gz JQDSOKFRKUCJFT-NLWGTHIKSA-N 2 1 343.471 1.882 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@@H](C)C1 ZINC000904597554 592292623 /nfs/dbraw/zinc/29/26/23/592292623.db2.gz TYFOGIDLQJYBBH-UONOGXRCSA-N 2 1 334.464 1.799 20 0 EDADMP CC(C)COC(=O)N1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903751614 592295648 /nfs/dbraw/zinc/29/56/48/592295648.db2.gz HKMSFTXPSRRRFF-FUHWJXTLSA-N 2 1 339.480 1.555 20 0 EDADMP c1nnc([C@@H]2CCC[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1C1CC1 ZINC000903751338 592295833 /nfs/dbraw/zinc/29/58/33/592295833.db2.gz CZQSQYOBARNZPQ-HFTRVMKXSA-N 2 1 331.464 1.561 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752930 592296880 /nfs/dbraw/zinc/29/68/80/592296880.db2.gz QHSGBWBPBZVLAZ-HZMVEIRTSA-N 2 1 336.476 1.951 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)ccc1Cl ZINC000906741918 592306845 /nfs/dbraw/zinc/30/68/45/592306845.db2.gz NUJOGYQZBHCEIS-MJHDQNEOSA-N 2 1 338.839 1.194 20 0 EDADMP O=C1N[C@H]2C[N@@H+](Cc3ccccc3CF)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000903760677 592307018 /nfs/dbraw/zinc/30/70/18/592307018.db2.gz JKRPDZKHAOUOOV-ROUUACIJSA-N 2 1 346.450 1.876 20 0 EDADMP c1ccc(CN2CC[C@H]3C[N@H+](C[C@H]4C[C@]5(CC[NH2+]C5)CO4)C[C@H]32)cc1 ZINC000903763007 592308148 /nfs/dbraw/zinc/30/81/48/592308148.db2.gz GSUSHWNMOHOZCU-BQJUDKOJSA-N 2 1 341.499 1.961 20 0 EDADMP c1ccc(C[N@H+]2CC[C@H]3CN(C[C@H]4C[C@]5(CC[NH2+]C5)CO4)C[C@H]32)cc1 ZINC000903763007 592308153 /nfs/dbraw/zinc/30/81/53/592308153.db2.gz GSUSHWNMOHOZCU-BQJUDKOJSA-N 2 1 341.499 1.961 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@H]3CN(C[C@H]4C[C@]5(CC[NH2+]C5)CO4)C[C@H]32)cc1 ZINC000903763007 592308159 /nfs/dbraw/zinc/30/81/59/592308159.db2.gz GSUSHWNMOHOZCU-BQJUDKOJSA-N 2 1 341.499 1.961 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2C[C@@H](C)[NH+](CC)C[C@H]2C)C1 ZINC000901271118 592320487 /nfs/dbraw/zinc/32/04/87/592320487.db2.gz KWPNMHNBBAPKJL-BZUAXINKSA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)[NH+](CC)C[C@H]2C)C1 ZINC000901271118 592320490 /nfs/dbraw/zinc/32/04/90/592320490.db2.gz KWPNMHNBBAPKJL-BZUAXINKSA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)C1 ZINC000901271118 592320496 /nfs/dbraw/zinc/32/04/96/592320496.db2.gz KWPNMHNBBAPKJL-BZUAXINKSA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)C1 ZINC000901271118 592320500 /nfs/dbraw/zinc/32/05/00/592320500.db2.gz KWPNMHNBBAPKJL-BZUAXINKSA-N 2 1 339.480 1.203 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000908119676 592331731 /nfs/dbraw/zinc/33/17/31/592331731.db2.gz RFCIQHPIMDVFSF-IBGZPJMESA-N 2 1 331.460 1.176 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccnn1CC[NH+](C)C ZINC000901335682 592333170 /nfs/dbraw/zinc/33/31/70/592333170.db2.gz FYXYPRMNLCAVAI-MRXNPFEDSA-N 2 1 343.475 1.695 20 0 EDADMP CCN(CC)C(=O)C1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903889840 592351698 /nfs/dbraw/zinc/35/16/98/592351698.db2.gz WGRYGJIMBHWFJD-MRXNPFEDSA-N 2 1 348.495 1.283 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCN(c3nccs3)CC2)cnn1C ZINC000903885697 592363693 /nfs/dbraw/zinc/36/36/93/592363693.db2.gz JKPRSCVPIOERDU-OAHLLOKOSA-N 2 1 348.520 1.515 20 0 EDADMP OCC[N@H+](CCc1ccccc1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903893040 592365679 /nfs/dbraw/zinc/36/56/79/592365679.db2.gz OXSDQRCKURGKSD-QGZVFWFLSA-N 2 1 329.448 1.240 20 0 EDADMP OCC[N@@H+](CCc1ccccc1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903893040 592365684 /nfs/dbraw/zinc/36/56/84/592365684.db2.gz OXSDQRCKURGKSD-QGZVFWFLSA-N 2 1 329.448 1.240 20 0 EDADMP CN(C)C(=O)N1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C(C)(C)C1 ZINC000903908465 592373442 /nfs/dbraw/zinc/37/34/42/592373442.db2.gz JIKCXUYMCJPTDE-UHFFFAOYSA-N 2 1 330.476 1.910 20 0 EDADMP C[NH+](C)C[C@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000908203442 592380848 /nfs/dbraw/zinc/38/08/48/592380848.db2.gz DBHGQNDSULAVHK-FUHWJXTLSA-N 2 1 337.439 1.391 20 0 EDADMP Cc1c(C[C@H](C[NH3+])CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cnn1C ZINC000903930093 592381752 /nfs/dbraw/zinc/38/17/52/592381752.db2.gz SBJXXCWJDAWNOE-MNEFBYGVSA-N 2 1 349.523 1.064 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCOc3cc(N)ccc3C2)cnn1C ZINC000903937365 592387856 /nfs/dbraw/zinc/38/78/56/592387856.db2.gz JFYGFTADVNYKPO-AWEZNQCLSA-N 2 1 329.448 1.323 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCOc3cc(N)ccc3C2)cnn1C ZINC000903937365 592387861 /nfs/dbraw/zinc/38/78/61/592387861.db2.gz JFYGFTADVNYKPO-AWEZNQCLSA-N 2 1 329.448 1.323 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)C[C@@H]2CCc3nccn3C2)cnn1C ZINC000903917528 592390884 /nfs/dbraw/zinc/39/08/84/592390884.db2.gz ZGNVXEULVIEXOB-HOTGVXAUSA-N 2 1 330.480 1.237 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cnn1C ZINC000903917528 592390887 /nfs/dbraw/zinc/39/08/87/592390887.db2.gz ZGNVXEULVIEXOB-HOTGVXAUSA-N 3 1 330.480 1.237 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cnn1C ZINC000903917528 592390892 /nfs/dbraw/zinc/39/08/92/592390892.db2.gz ZGNVXEULVIEXOB-HOTGVXAUSA-N 3 1 330.480 1.237 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977220 592399669 /nfs/dbraw/zinc/39/96/69/592399669.db2.gz LUYSDGARNGJQLQ-CZUORRHYSA-N 2 1 336.480 1.868 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(OC)cc(OC)c1)C2 ZINC000903978944 592400332 /nfs/dbraw/zinc/40/03/32/592400332.db2.gz PCYHHANYBKUVPV-IYOUNJFTSA-N 2 1 334.416 1.416 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cnc3ccc(C)cn13)C2 ZINC000903979187 592400378 /nfs/dbraw/zinc/40/03/78/592400378.db2.gz YBTWZGQOVCFQPS-IYOUNJFTSA-N 2 1 328.416 1.355 20 0 EDADMP O[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)CC1(O)CCCCC1 ZINC000905095346 592420439 /nfs/dbraw/zinc/42/04/39/592420439.db2.gz SCXOIYBCLHEBMK-QGZVFWFLSA-N 2 1 340.508 1.667 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1coc(CN2CC[C@H](O)C2)n1 ZINC000908303816 592441660 /nfs/dbraw/zinc/44/16/60/592441660.db2.gz QEYMKEXXRGVWBX-KGLIPLIRSA-N 2 1 338.452 1.091 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000908425803 592490673 /nfs/dbraw/zinc/49/06/73/592490673.db2.gz CCOTVOCJPBSDMX-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP O[C@H](CC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000905369949 592517504 /nfs/dbraw/zinc/51/75/04/592517504.db2.gz BSWWAWCESXAYKO-GBESFXJTSA-N 2 1 336.476 1.298 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)C1 ZINC000908610592 592553452 /nfs/dbraw/zinc/55/34/52/592553452.db2.gz PNGAQRFEGSHXQQ-INIZCTEOSA-N 2 1 325.497 1.460 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000907218473 592555322 /nfs/dbraw/zinc/55/53/22/592555322.db2.gz FPEXSNMKUMEUNF-HOTGVXAUSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000907218473 592555323 /nfs/dbraw/zinc/55/53/23/592555323.db2.gz FPEXSNMKUMEUNF-HOTGVXAUSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000907218473 592555325 /nfs/dbraw/zinc/55/53/25/592555325.db2.gz FPEXSNMKUMEUNF-HOTGVXAUSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000907218473 592555326 /nfs/dbraw/zinc/55/53/26/592555326.db2.gz FPEXSNMKUMEUNF-HOTGVXAUSA-N 2 1 339.480 1.204 20 0 EDADMP Cc1cc2c(N3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)nccn2n1 ZINC000905700764 592614442 /nfs/dbraw/zinc/61/44/42/592614442.db2.gz QGRBSRARUOAOKX-IYBDPMFKSA-N 2 1 326.448 1.443 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000905692843 592623946 /nfs/dbraw/zinc/62/39/46/592623946.db2.gz XZFZSKBZWBJDPW-QQXKLLMISA-N 2 1 346.471 1.657 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000905692843 592623950 /nfs/dbraw/zinc/62/39/50/592623950.db2.gz XZFZSKBZWBJDPW-QQXKLLMISA-N 2 1 346.471 1.657 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1Cn1cnc2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000905733791 592632254 /nfs/dbraw/zinc/63/22/54/592632254.db2.gz MGCNTHJZNXTBKC-WBVHZDCISA-N 2 1 338.455 1.657 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1Cn1cnc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000905733791 592632257 /nfs/dbraw/zinc/63/22/57/592632257.db2.gz MGCNTHJZNXTBKC-WBVHZDCISA-N 2 1 338.455 1.657 20 0 EDADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H](O)CN1CCCC1 ZINC000908996887 592703513 /nfs/dbraw/zinc/70/35/13/592703513.db2.gz UATIQFFRUVERFH-YJBOKZPZSA-N 2 1 329.448 1.717 20 0 EDADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H](O)CN1CCCC1 ZINC000908996887 592703516 /nfs/dbraw/zinc/70/35/16/592703516.db2.gz UATIQFFRUVERFH-YJBOKZPZSA-N 2 1 329.448 1.717 20 0 EDADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000908996887 592703520 /nfs/dbraw/zinc/70/35/20/592703520.db2.gz UATIQFFRUVERFH-YJBOKZPZSA-N 2 1 329.448 1.717 20 0 EDADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000908996887 592703523 /nfs/dbraw/zinc/70/35/23/592703523.db2.gz UATIQFFRUVERFH-YJBOKZPZSA-N 2 1 329.448 1.717 20 0 EDADMP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000907555801 592706490 /nfs/dbraw/zinc/70/64/90/592706490.db2.gz XNALNYXAGMRYRQ-KXBFYZLASA-N 2 1 346.475 1.382 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000907555801 592706491 /nfs/dbraw/zinc/70/64/91/592706491.db2.gz XNALNYXAGMRYRQ-KXBFYZLASA-N 2 1 346.475 1.382 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000906085236 592738660 /nfs/dbraw/zinc/73/86/60/592738660.db2.gz KBYMARWPCCBUIP-CGTJXYLNSA-N 2 1 333.476 1.626 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CC)CCC[NH+](C)C)C1 ZINC000907649595 592755427 /nfs/dbraw/zinc/75/54/27/592755427.db2.gz HIBVQUWVOOMVCK-OAHLLOKOSA-N 2 1 327.469 1.062 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906590234 592852715 /nfs/dbraw/zinc/85/27/15/592852715.db2.gz HENCTTFFDHTJEH-KZNAEPCWSA-N 2 1 331.435 1.920 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000910931677 592901928 /nfs/dbraw/zinc/90/19/28/592901928.db2.gz QJFYPWLEYVKKPD-LSDHHAIUSA-N 2 1 344.459 1.818 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3nccc(C)n3)CC2)CC1 ZINC000911005360 592910118 /nfs/dbraw/zinc/91/01/18/592910118.db2.gz GTBCWDPVNHMKAX-UHFFFAOYSA-N 2 1 345.491 1.598 20 0 EDADMP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCOc2ccccc21 ZINC000911664239 592973307 /nfs/dbraw/zinc/97/33/07/592973307.db2.gz KEWGIPPYXDBZBK-CRAIPNDOSA-N 2 1 341.411 1.535 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000911827386 593017737 /nfs/dbraw/zinc/01/77/37/593017737.db2.gz UECGCLALQBTUAL-DGCLKSJQSA-N 2 1 344.253 1.557 20 0 EDADMP CC1CCC2(CC1)NC(=O)N(C[NH+]1CCC(C[NH+](C)C)CC1)C2=O ZINC000738076351 593079028 /nfs/dbraw/zinc/07/90/28/593079028.db2.gz LCCHXQDCAMPAQP-UHFFFAOYSA-N 2 1 336.480 1.718 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2nnc(C3CCC3)n2C)C1 ZINC000782949841 593131167 /nfs/dbraw/zinc/13/11/67/593131167.db2.gz NTUSAFBVNWOVGB-ZDUSSCGKSA-N 2 1 336.440 1.190 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2nnc(C3CCC3)n2C)C1 ZINC000782949841 593131168 /nfs/dbraw/zinc/13/11/68/593131168.db2.gz NTUSAFBVNWOVGB-ZDUSSCGKSA-N 2 1 336.440 1.190 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)COCc1ccccn1 ZINC000807570150 593181893 /nfs/dbraw/zinc/18/18/93/593181893.db2.gz OWXHVDQXLJOYBJ-UHFFFAOYSA-N 2 1 334.464 1.083 20 0 EDADMP C[NH+](C)C[C@@H](NC(=O)CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000802382596 593248427 /nfs/dbraw/zinc/24/84/27/593248427.db2.gz CETMMEYGZXETTB-MRXNPFEDSA-N 2 1 339.867 1.781 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@@H](CC(C)(C)C)C1)C2=O ZINC000840150155 593297593 /nfs/dbraw/zinc/29/75/93/593297593.db2.gz QJKRQXHHNCYXPR-AWEZNQCLSA-N 2 1 336.480 1.718 20 0 EDADMP CC1(C)CC[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840016092 593362332 /nfs/dbraw/zinc/36/23/32/593362332.db2.gz RXQPZGINIXZJMF-CALCHBBNSA-N 2 1 341.455 1.793 20 0 EDADMP CC1(C)CC[N@@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840016092 593362336 /nfs/dbraw/zinc/36/23/36/593362336.db2.gz RXQPZGINIXZJMF-CALCHBBNSA-N 2 1 341.455 1.793 20 0 EDADMP CC1(C)CC[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840016092 593362338 /nfs/dbraw/zinc/36/23/38/593362338.db2.gz RXQPZGINIXZJMF-CALCHBBNSA-N 2 1 341.455 1.793 20 0 EDADMP CC1(C)CC[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840016092 593362341 /nfs/dbraw/zinc/36/23/41/593362341.db2.gz RXQPZGINIXZJMF-CALCHBBNSA-N 2 1 341.455 1.793 20 0 EDADMP C[N@@H+](C[C@H](O)CN1CCC(C)(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000809985393 593373952 /nfs/dbraw/zinc/37/39/52/593373952.db2.gz KYOPVXOFHZFWOU-HNNXBMFYSA-N 2 1 341.496 1.821 20 0 EDADMP C[N@H+]1CCCN(CCCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000813451384 593533853 /nfs/dbraw/zinc/53/38/53/593533853.db2.gz MVQGTHMEBHHAMU-GOSISDBHSA-N 2 1 342.503 1.343 20 0 EDADMP C[NH+]1CCCN(CCCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000813451384 593533855 /nfs/dbraw/zinc/53/38/55/593533855.db2.gz MVQGTHMEBHHAMU-GOSISDBHSA-N 2 1 342.503 1.343 20 0 EDADMP C[NH+]1CCCN(CCCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000813451384 593533857 /nfs/dbraw/zinc/53/38/57/593533857.db2.gz MVQGTHMEBHHAMU-GOSISDBHSA-N 2 1 342.503 1.343 20 0 EDADMP CN1CCC[N@H+](CCCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000813451384 593533858 /nfs/dbraw/zinc/53/38/58/593533858.db2.gz MVQGTHMEBHHAMU-GOSISDBHSA-N 2 1 342.503 1.343 20 0 EDADMP CN1CCC[N@@H+](CCCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000813451384 593533860 /nfs/dbraw/zinc/53/38/60/593533860.db2.gz MVQGTHMEBHHAMU-GOSISDBHSA-N 2 1 342.503 1.343 20 0 EDADMP CN1CCC[NH+](CCCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000813451384 593533861 /nfs/dbraw/zinc/53/38/61/593533861.db2.gz MVQGTHMEBHHAMU-GOSISDBHSA-N 2 1 342.503 1.343 20 0 EDADMP CN1CCC[NH+](CCCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000813451384 593533863 /nfs/dbraw/zinc/53/38/63/593533863.db2.gz MVQGTHMEBHHAMU-GOSISDBHSA-N 2 1 342.503 1.343 20 0 EDADMP CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000818167761 593676764 /nfs/dbraw/zinc/67/67/64/593676764.db2.gz VGIABAKQPZRPBW-OWCLPIDISA-N 2 1 339.480 1.146 20 0 EDADMP COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000818968511 593731099 /nfs/dbraw/zinc/73/10/99/593731099.db2.gz CRAXJUPUEJKVDP-CJNGLKHVSA-N 2 1 334.420 1.078 20 0 EDADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821599402 593875761 /nfs/dbraw/zinc/87/57/61/593875761.db2.gz RXGYRCYDQVUIIE-DLBZAZTESA-N 2 1 344.463 1.706 20 0 EDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821599402 593875762 /nfs/dbraw/zinc/87/57/62/593875762.db2.gz RXGYRCYDQVUIIE-DLBZAZTESA-N 2 1 344.463 1.706 20 0 EDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821599402 593875764 /nfs/dbraw/zinc/87/57/64/593875764.db2.gz RXGYRCYDQVUIIE-DLBZAZTESA-N 2 1 344.463 1.706 20 0 EDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821599402 593875765 /nfs/dbraw/zinc/87/57/65/593875765.db2.gz RXGYRCYDQVUIIE-DLBZAZTESA-N 2 1 344.463 1.706 20 0 EDADMP C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000821623887 593885050 /nfs/dbraw/zinc/88/50/50/593885050.db2.gz UZEDBDODERIDDX-CJNGLKHVSA-N 2 1 330.436 1.174 20 0 EDADMP C[N@@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000821623887 593885051 /nfs/dbraw/zinc/88/50/51/593885051.db2.gz UZEDBDODERIDDX-CJNGLKHVSA-N 2 1 330.436 1.174 20 0 EDADMP C[NH+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000821623887 593885053 /nfs/dbraw/zinc/88/50/53/593885053.db2.gz UZEDBDODERIDDX-CJNGLKHVSA-N 2 1 330.436 1.174 20 0 EDADMP C[NH+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000821623887 593885055 /nfs/dbraw/zinc/88/50/55/593885055.db2.gz UZEDBDODERIDDX-CJNGLKHVSA-N 2 1 330.436 1.174 20 0 EDADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625136 593886499 /nfs/dbraw/zinc/88/64/99/593886499.db2.gz GKBQJVWAWLJCOD-CJNGLKHVSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625136 593886501 /nfs/dbraw/zinc/88/65/01/593886501.db2.gz GKBQJVWAWLJCOD-CJNGLKHVSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625136 593886503 /nfs/dbraw/zinc/88/65/03/593886503.db2.gz GKBQJVWAWLJCOD-CJNGLKHVSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625136 593886505 /nfs/dbraw/zinc/88/65/05/593886505.db2.gz GKBQJVWAWLJCOD-CJNGLKHVSA-N 2 1 330.411 1.922 20 0 EDADMP CCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825247947 594155140 /nfs/dbraw/zinc/15/51/40/594155140.db2.gz JGXGTYOKZBBQIH-QGZVFWFLSA-N 2 1 344.463 1.582 20 0 EDADMP C[NH+](C)CCONC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000823254988 594176244 /nfs/dbraw/zinc/17/62/44/594176244.db2.gz JWNZHXPRYROTKN-HKUYNNGSSA-N 2 1 347.459 1.135 20 0 EDADMP C[NH+](C)CCONC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000823254988 594176245 /nfs/dbraw/zinc/17/62/45/594176245.db2.gz JWNZHXPRYROTKN-HKUYNNGSSA-N 2 1 347.459 1.135 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)c2cccs2)CC1 ZINC000825795688 594248994 /nfs/dbraw/zinc/24/89/94/594248994.db2.gz OYLDNDSECJNZIE-CABCVRRESA-N 2 1 336.505 1.280 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H]3[C@@H](CC[N@@H+]3C)C1)n2C ZINC000827287425 594658785 /nfs/dbraw/zinc/65/87/85/594658785.db2.gz KLXLBAGKWWUMCE-GXTWGEPZSA-N 2 1 342.447 1.201 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H]3[C@@H](CC[N@H+]3C)C1)n2C ZINC000827287425 594658786 /nfs/dbraw/zinc/65/87/86/594658786.db2.gz KLXLBAGKWWUMCE-GXTWGEPZSA-N 2 1 342.447 1.201 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)CC[N@H+]1C ZINC000827491053 594677010 /nfs/dbraw/zinc/67/70/10/594677010.db2.gz KUMXUCSLPSVGFY-FGTMMUONSA-N 2 1 347.507 1.254 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC[NH+]1C ZINC000827491053 594677011 /nfs/dbraw/zinc/67/70/11/594677011.db2.gz KUMXUCSLPSVGFY-FGTMMUONSA-N 2 1 347.507 1.254 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC[NH+]1C ZINC000827491053 594677012 /nfs/dbraw/zinc/67/70/12/594677012.db2.gz KUMXUCSLPSVGFY-FGTMMUONSA-N 2 1 347.507 1.254 20 0 EDADMP CCO[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C[NH+](C)C ZINC000831724550 594696487 /nfs/dbraw/zinc/69/64/87/594696487.db2.gz OYIAETNWPOOXKS-IRXDYDNUSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H](C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)N1CC[NH+](C)CC1 ZINC000832238884 594737215 /nfs/dbraw/zinc/73/72/15/594737215.db2.gz MXQLRCZLVFSYGI-KRWDZBQOSA-N 2 1 336.524 1.489 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2SCCCS2)CC1 ZINC000841073215 594847668 /nfs/dbraw/zinc/84/76/68/594847668.db2.gz LKSAKQRFLSNSFX-UHFFFAOYSA-N 2 1 338.502 1.968 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000841720852 594943071 /nfs/dbraw/zinc/94/30/71/594943071.db2.gz ACJYNPGJQRMAIG-CABCVRRESA-N 2 1 328.420 1.645 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000841727129 594944194 /nfs/dbraw/zinc/94/41/94/594944194.db2.gz ORSJKFDUQPSUTP-HIFRSBDPSA-N 2 1 342.447 1.763 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH2+]C1CC1 ZINC000841927100 594983109 /nfs/dbraw/zinc/98/31/09/594983109.db2.gz FQEFJAHOISBCQA-LJQANCHMSA-N 2 1 346.475 1.017 20 0 EDADMP Cc1cc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cn2ccnc12 ZINC000836689878 594988398 /nfs/dbraw/zinc/98/83/98/594988398.db2.gz KXRMTDMLJUJBFG-CABCVRRESA-N 2 1 329.404 1.627 20 0 EDADMP Cc1cc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cn2cc[nH+]c12 ZINC000836689878 594988400 /nfs/dbraw/zinc/98/84/00/594988400.db2.gz KXRMTDMLJUJBFG-CABCVRRESA-N 2 1 329.404 1.627 20 0 EDADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H](O)c2c[nH]cn2)CC1)CC1CC1 ZINC000867192797 594995302 /nfs/dbraw/zinc/99/53/02/594995302.db2.gz XLSBHUZEIJNBES-KRWDZBQOSA-N 2 1 334.464 1.804 20 0 EDADMP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843378357 595094371 /nfs/dbraw/zinc/09/43/71/595094371.db2.gz RLUGKGDVZGOHPH-VXGBXAGGSA-N 2 1 331.420 1.656 20 0 EDADMP [NH3+]C1(c2noc([C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)n2)CCCC1 ZINC000842593192 595134145 /nfs/dbraw/zinc/13/41/45/595134145.db2.gz VHMFUTXENKHRLG-GOSISDBHSA-N 2 1 328.416 1.891 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@]4(CC4(F)F)C3)cn2)CC1 ZINC000846107753 595145057 /nfs/dbraw/zinc/14/50/57/595145057.db2.gz KDQZVVNNXXDKKP-INIZCTEOSA-N 2 1 337.418 1.850 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@]4(CC4(F)F)C3)cn2)CC1 ZINC000846107753 595145059 /nfs/dbraw/zinc/14/50/59/595145059.db2.gz KDQZVVNNXXDKKP-INIZCTEOSA-N 2 1 337.418 1.850 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CO[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000844165539 595288384 /nfs/dbraw/zinc/28/83/84/595288384.db2.gz IUYVAXMZDPJATN-SFHVURJKSA-N 2 1 331.460 1.408 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1cc(C)cc(C)c1)C2 ZINC000843113793 595289497 /nfs/dbraw/zinc/28/94/97/595289497.db2.gz PARWXDPKZKYCPT-FXAWDEMLSA-N 2 1 343.471 1.981 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000846674359 595298748 /nfs/dbraw/zinc/29/87/48/595298748.db2.gz NDQPFDJSCCCBQK-KRWDZBQOSA-N 3 1 333.480 1.046 20 0 EDADMP O=C1C[NH2+]CCN1Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000843181728 595300256 /nfs/dbraw/zinc/30/02/56/595300256.db2.gz MTRSENPVGUZMFS-UHFFFAOYSA-N 2 1 341.415 1.264 20 0 EDADMP Cn1c(Cl)ncc1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000848532779 595403109 /nfs/dbraw/zinc/40/31/09/595403109.db2.gz AQARNJGCLZMJIY-UHFFFAOYSA-N 2 1 349.866 1.655 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000847359276 595403466 /nfs/dbraw/zinc/40/34/66/595403466.db2.gz ZTUVFWMGMAYXEK-UHFFFAOYSA-N 2 1 339.403 1.586 20 0 EDADMP COC(=O)Cc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848573309 595406978 /nfs/dbraw/zinc/40/69/78/595406978.db2.gz SLSFPYWAIYAYKJ-SFHVURJKSA-N 2 1 332.444 1.745 20 0 EDADMP C[C@H]1CCCC[C@@H]1OCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849063153 595476841 /nfs/dbraw/zinc/47/68/41/595476841.db2.gz ZJQHFWPXDPSQHI-HOTGVXAUSA-N 2 1 326.485 1.418 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000849495273 595550498 /nfs/dbraw/zinc/55/04/98/595550498.db2.gz BSMHRRBWTMQHBS-MSOLQXFVSA-N 2 1 347.507 1.448 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[NH+]1CCCC1 ZINC000849522094 595558054 /nfs/dbraw/zinc/55/80/54/595558054.db2.gz JHXQXXHSQJIBOR-PVAVHDDUSA-N 2 1 333.480 1.056 20 0 EDADMP O=C(C=C1CC[NH2+]CC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000852855789 595577957 /nfs/dbraw/zinc/57/79/57/595577957.db2.gz OIFXZFGPIXMQHO-UHFFFAOYSA-N 2 1 329.444 1.445 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000855346328 595680262 /nfs/dbraw/zinc/68/02/62/595680262.db2.gz WZKPZFNFNPJDRE-YJBOKZPZSA-N 2 1 346.475 1.568 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000855346328 595680263 /nfs/dbraw/zinc/68/02/63/595680263.db2.gz WZKPZFNFNPJDRE-YJBOKZPZSA-N 2 1 346.475 1.568 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)CC1 ZINC000858034353 595687523 /nfs/dbraw/zinc/68/75/23/595687523.db2.gz ZTIHLCKYLHTMMO-KRWDZBQOSA-N 2 1 346.475 1.444 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)CC1 ZINC000858034353 595687525 /nfs/dbraw/zinc/68/75/25/595687525.db2.gz ZTIHLCKYLHTMMO-KRWDZBQOSA-N 2 1 346.475 1.444 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000853466269 595759214 /nfs/dbraw/zinc/75/92/14/595759214.db2.gz XKLQGRRZJSVPIW-IRXDYDNUSA-N 3 1 341.544 1.432 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000853466269 595759216 /nfs/dbraw/zinc/75/92/16/595759216.db2.gz XKLQGRRZJSVPIW-IRXDYDNUSA-N 3 1 341.544 1.432 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000858525901 595818754 /nfs/dbraw/zinc/81/87/54/595818754.db2.gz NVYOQAZOAGMPLM-JYJNAYRXSA-N 2 1 341.496 1.942 20 0 EDADMP CCC(N)=[NH+]OCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000853656154 595847694 /nfs/dbraw/zinc/84/76/94/595847694.db2.gz JONCZPXLRVUBKJ-UHFFFAOYSA-N 2 1 332.448 1.984 20 0 EDADMP C[C@]1(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000851660561 595872534 /nfs/dbraw/zinc/87/25/34/595872534.db2.gz SIUXOIXYQAFSBT-ZHALLVOQSA-N 2 1 348.466 1.979 20 0 EDADMP CNC(=O)c1ccc(CN(C[C@@H](O)C[N@@H+](C)C(C)C)C2CC2)cc1 ZINC000851709797 595892894 /nfs/dbraw/zinc/89/28/94/595892894.db2.gz ABWDDWTUXOIJPF-SFHVURJKSA-N 2 1 333.476 1.712 20 0 EDADMP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)c3ccccn3)CC2)CC1 ZINC000851857648 595950166 /nfs/dbraw/zinc/95/01/66/595950166.db2.gz WZSDLYNGUNEGEJ-IBGZPJMESA-N 2 1 332.492 1.605 20 0 EDADMP CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000851860685 595952129 /nfs/dbraw/zinc/95/21/29/595952129.db2.gz KKSVQRMRCDTRAN-CYBMUJFWSA-N 2 1 346.368 1.127 20 0 EDADMP CC(C)[NH2+]Cc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000854146478 595989275 /nfs/dbraw/zinc/98/92/75/595989275.db2.gz RCGRJPQMNVJWDN-UHFFFAOYSA-N 2 1 330.436 1.772 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000851976965 595993427 /nfs/dbraw/zinc/99/34/27/595993427.db2.gz OBSIMXKBOVIFTP-INIZCTEOSA-N 2 1 342.447 1.859 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000851976965 595993429 /nfs/dbraw/zinc/99/34/29/595993429.db2.gz OBSIMXKBOVIFTP-INIZCTEOSA-N 2 1 342.447 1.859 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)COC[C@H]2CCCO2)cc1 ZINC000859215075 596006980 /nfs/dbraw/zinc/00/69/80/596006980.db2.gz YAIMVSYAPAWCHV-RTBURBONSA-N 2 1 336.476 1.737 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N(C)C[C@H](C)[NH3+])cc2)CC1 ZINC000861554910 596028371 /nfs/dbraw/zinc/02/83/71/596028371.db2.gz ZNPBQCXQJUCUHM-INIZCTEOSA-N 2 1 347.507 1.313 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000852064202 596030290 /nfs/dbraw/zinc/03/02/90/596030290.db2.gz VOSUJPDWRMZMSV-YESZJQIVSA-N 2 1 338.496 1.269 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CCOC[C@H]1[C@@H]1CCC[NH+]1C ZINC000854642672 596146116 /nfs/dbraw/zinc/14/61/16/596146116.db2.gz QYAWXFLJGHJGIW-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000854642672 596146119 /nfs/dbraw/zinc/14/61/19/596146119.db2.gz QYAWXFLJGHJGIW-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000854642672 596146121 /nfs/dbraw/zinc/14/61/21/596146121.db2.gz QYAWXFLJGHJGIW-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(S(=O)(=O)NC)cc2)[C@H](C)C1 ZINC000866577563 596256490 /nfs/dbraw/zinc/25/64/90/596256490.db2.gz LNCLYDMAELPDTL-RHSMWYFYSA-N 2 1 339.505 1.457 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000862214214 596276203 /nfs/dbraw/zinc/27/62/03/596276203.db2.gz KCHORKHWUPZNBV-SFHVURJKSA-N 2 1 341.471 1.522 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCNC(=O)CC23CCOCC3)cc1 ZINC000866697216 596297974 /nfs/dbraw/zinc/29/79/74/596297974.db2.gz JFSNWLRIPZSCNM-MRXNPFEDSA-N 2 1 347.459 1.109 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000866709510 596302750 /nfs/dbraw/zinc/30/27/50/596302750.db2.gz RPWBYSMZSCRRRG-YUELXQCFSA-N 2 1 339.798 1.846 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000866709510 596302755 /nfs/dbraw/zinc/30/27/55/596302755.db2.gz RPWBYSMZSCRRRG-YUELXQCFSA-N 2 1 339.798 1.846 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000866709812 596304418 /nfs/dbraw/zinc/30/44/18/596304418.db2.gz UMKDZWUAAVWKJC-UAGQMJEPSA-N 2 1 349.406 1.462 20 0 EDADMP C[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[NH+]1CCN(c2ccccc2)CC1 ZINC000870865424 596382037 /nfs/dbraw/zinc/38/20/37/596382037.db2.gz STEFKLITPGRYFF-WWNBULGVSA-N 2 1 342.487 1.441 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000870891567 596392383 /nfs/dbraw/zinc/39/23/83/596392383.db2.gz FQAIRCYBCFICNP-WNHJNPCNSA-N 2 1 345.487 1.910 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000870891567 596392387 /nfs/dbraw/zinc/39/23/87/596392387.db2.gz FQAIRCYBCFICNP-WNHJNPCNSA-N 2 1 345.487 1.910 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870907498 596398741 /nfs/dbraw/zinc/39/87/41/596398741.db2.gz WSNAKSDRRNSTNM-SMDDNHRTSA-N 2 1 334.489 1.823 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000870967825 596421229 /nfs/dbraw/zinc/42/12/29/596421229.db2.gz DESIJIZKIROKKY-MQSRZLSVSA-N 2 1 331.460 1.763 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000870967825 596421231 /nfs/dbraw/zinc/42/12/31/596421231.db2.gz DESIJIZKIROKKY-MQSRZLSVSA-N 2 1 331.460 1.763 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000870976048 596423467 /nfs/dbraw/zinc/42/34/67/596423467.db2.gz NPAPSQAPLVDDKO-RFSXOUPVSA-N 2 1 337.508 1.767 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000870976048 596423470 /nfs/dbraw/zinc/42/34/70/596423470.db2.gz NPAPSQAPLVDDKO-RFSXOUPVSA-N 2 1 337.508 1.767 20 0 EDADMP C=CC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000869236708 596456119 /nfs/dbraw/zinc/45/61/19/596456119.db2.gz HPXWOEKRFWDMNR-HNNXBMFYSA-N 2 1 346.475 1.813 20 0 EDADMP C=CC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000869236708 596456123 /nfs/dbraw/zinc/45/61/23/596456123.db2.gz HPXWOEKRFWDMNR-HNNXBMFYSA-N 2 1 346.475 1.813 20 0 EDADMP CC(=O)NCC1CCC([NH2+]CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000865451602 596579171 /nfs/dbraw/zinc/57/91/71/596579171.db2.gz TUFOXPSIAIKBTG-UHFFFAOYSA-N 2 1 338.540 1.545 20 0 EDADMP CCOc1cc(F)cc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000865450930 596579480 /nfs/dbraw/zinc/57/94/80/596579480.db2.gz RVHJHEIKCSBNDM-OAHLLOKOSA-N 2 1 337.439 1.901 20 0 EDADMP CCOc1cc(F)cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000865450930 596579482 /nfs/dbraw/zinc/57/94/82/596579482.db2.gz RVHJHEIKCSBNDM-OAHLLOKOSA-N 2 1 337.439 1.901 20 0 EDADMP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000888573273 596585032 /nfs/dbraw/zinc/58/50/32/596585032.db2.gz HZOYMUOVEJLLFH-INIZCTEOSA-N 2 1 329.448 1.400 20 0 EDADMP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000888573273 596585036 /nfs/dbraw/zinc/58/50/36/596585036.db2.gz HZOYMUOVEJLLFH-INIZCTEOSA-N 2 1 329.448 1.400 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865500984 596592946 /nfs/dbraw/zinc/59/29/46/596592946.db2.gz JSPVGMNIYWUCRE-LLVKDONJSA-N 2 1 330.354 1.522 20 0 EDADMP O=C1NCCCN1c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000863562140 596619710 /nfs/dbraw/zinc/61/97/10/596619710.db2.gz GZDISKHYXHMWEN-QGZVFWFLSA-N 2 1 332.448 1.153 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242182 596742638 /nfs/dbraw/zinc/74/26/38/596742638.db2.gz FDIUGBBHLWUHNP-XOKHGSTOSA-N 2 1 346.475 1.676 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000868287127 596766916 /nfs/dbraw/zinc/76/69/16/596766916.db2.gz YHBHFPVOLKIBFN-ISXOHVOVSA-N 2 1 326.485 1.269 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)c2C1 ZINC000868302539 596777569 /nfs/dbraw/zinc/77/75/69/596777569.db2.gz HUKHVHVKHHCMQP-XBXGTLAGSA-N 2 1 330.432 1.204 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)c2C1 ZINC000868302539 596777571 /nfs/dbraw/zinc/77/75/71/596777571.db2.gz HUKHVHVKHHCMQP-XBXGTLAGSA-N 2 1 330.432 1.204 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2scnc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000872143727 596808948 /nfs/dbraw/zinc/80/89/48/596808948.db2.gz QAFUQYOZLNKFJW-NEPJUHHUSA-N 2 1 342.896 1.877 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](Cc2scnc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000872143727 596808950 /nfs/dbraw/zinc/80/89/50/596808950.db2.gz QAFUQYOZLNKFJW-NEPJUHHUSA-N 2 1 342.896 1.877 20 0 EDADMP O=C(C[NH+]1CCCC1)Nc1cccc(NC(=O)C[NH+]2CCCC2)c1 ZINC000864290756 596814448 /nfs/dbraw/zinc/81/44/48/596814448.db2.gz HHLNIBCEIZEBPQ-UHFFFAOYSA-N 2 1 330.432 1.755 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C[N@H+]1C1CC1 ZINC000868382758 596814537 /nfs/dbraw/zinc/81/45/37/596814537.db2.gz KLHGNUBRYGFXCP-HOTGVXAUSA-N 2 1 349.523 1.033 20 0 EDADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1)C1CCCC1 ZINC000872156205 596815840 /nfs/dbraw/zinc/81/58/40/596815840.db2.gz GEEDSEULDUTTHV-BPQIPLTHSA-N 2 1 337.508 1.901 20 0 EDADMP COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C2 ZINC000872229742 596846397 /nfs/dbraw/zinc/84/63/97/596846397.db2.gz SBQJWUVVMOFAOS-DFEOGRTESA-N 2 1 332.444 1.411 20 0 EDADMP COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C2 ZINC000872229742 596846400 /nfs/dbraw/zinc/84/64/00/596846400.db2.gz SBQJWUVVMOFAOS-DFEOGRTESA-N 2 1 332.444 1.411 20 0 EDADMP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000872304987 596875301 /nfs/dbraw/zinc/87/53/01/596875301.db2.gz FCYREHZBWFEMLH-CEXWTWQISA-N 2 1 345.487 1.777 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC(C)(C)CO1 ZINC000875712403 596956693 /nfs/dbraw/zinc/95/66/93/596956693.db2.gz DUBYXCBEVARELH-GJZGRUSLSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC(C)(C)CO1 ZINC000875712403 596956694 /nfs/dbraw/zinc/95/66/94/596956694.db2.gz DUBYXCBEVARELH-GJZGRUSLSA-N 2 1 328.501 1.373 20 0 EDADMP COCC[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)CC(C)(C)C1=O ZINC000872631972 597000518 /nfs/dbraw/zinc/00/05/18/597000518.db2.gz PFTNSPOAXZOSLF-UHFFFAOYSA-N 2 1 325.453 1.019 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)CC(C)(C)C1=O ZINC000872631972 597000521 /nfs/dbraw/zinc/00/05/21/597000521.db2.gz PFTNSPOAXZOSLF-UHFFFAOYSA-N 2 1 325.453 1.019 20 0 EDADMP CCNc1nc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)nc(NC(C)(C)C)[nH+]1 ZINC000872779366 597064898 /nfs/dbraw/zinc/06/48/98/597064898.db2.gz GFMAXQIDBPPSIS-OLZOCXBDSA-N 2 1 333.484 1.609 20 0 EDADMP CCNc1nc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)nc(NC(C)(C)C)[nH+]1 ZINC000872779366 597064901 /nfs/dbraw/zinc/06/49/01/597064901.db2.gz GFMAXQIDBPPSIS-OLZOCXBDSA-N 2 1 333.484 1.609 20 0 EDADMP C[NH+](C)C1(C)CCC(NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000876107365 597092788 /nfs/dbraw/zinc/09/27/88/597092788.db2.gz BRXNJROYUSWGTF-CSLYMUCUSA-N 2 1 340.512 1.394 20 0 EDADMP Cn1cncc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000874511045 597103309 /nfs/dbraw/zinc/10/33/09/597103309.db2.gz KZIQASNBYXVNOA-FXAWDEMLSA-N 2 1 338.455 1.943 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)[C@@H](C)C1 ZINC000873218430 597231593 /nfs/dbraw/zinc/23/15/93/597231593.db2.gz GPQMBFADXJLTDY-KBXCAEBGSA-N 3 1 328.464 1.546 20 0 EDADMP O=S1(=O)C[C@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CC[C@@H]2C1 ZINC000873227564 597234098 /nfs/dbraw/zinc/23/40/98/597234098.db2.gz LNIJJCKXEDMNPE-DGCLKSJQSA-N 2 1 326.487 1.260 20 0 EDADMP O=S1(=O)C[C@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CC[C@@H]2C1 ZINC000873227564 597234100 /nfs/dbraw/zinc/23/41/00/597234100.db2.gz LNIJJCKXEDMNPE-DGCLKSJQSA-N 2 1 326.487 1.260 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)[C@@H]2CCC[C@@H]21 ZINC000873245340 597237848 /nfs/dbraw/zinc/23/78/48/597237848.db2.gz ZFHLTVZCUYETCF-FHWLQOOXSA-N 3 1 340.475 1.688 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCCn1cc[nH+]c1C ZINC000876723657 597306434 /nfs/dbraw/zinc/30/64/34/597306434.db2.gz WOQIGVYTLJWIAD-HNNXBMFYSA-N 2 1 330.436 1.441 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000876762298 597327693 /nfs/dbraw/zinc/32/76/93/597327693.db2.gz FLQYYYJMUPOAQA-QAPCUYQASA-N 2 1 341.496 1.008 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876768475 597331730 /nfs/dbraw/zinc/33/17/30/597331730.db2.gz WBIZVDNMUMGMKD-CIRFHOKZSA-N 2 1 332.492 1.148 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H](N)c2cccc(Br)c2)C1 ZINC000876773454 597333662 /nfs/dbraw/zinc/33/36/62/597333662.db2.gz REZWHRRBBGRJHX-FZMZJTMJSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000876773454 597333666 /nfs/dbraw/zinc/33/36/66/597333666.db2.gz REZWHRRBBGRJHX-FZMZJTMJSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000876773454 597333671 /nfs/dbraw/zinc/33/36/71/597333671.db2.gz REZWHRRBBGRJHX-FZMZJTMJSA-N 2 1 340.265 1.907 20 0 EDADMP C[N@@H+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000876947944 597393231 /nfs/dbraw/zinc/39/32/31/597393231.db2.gz HCIYJQZRPLJCIS-NDUHVBCRSA-N 2 1 327.472 1.928 20 0 EDADMP C[N@H+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000876947944 597393236 /nfs/dbraw/zinc/39/32/36/597393236.db2.gz HCIYJQZRPLJCIS-NDUHVBCRSA-N 2 1 327.472 1.928 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877018124 597412891 /nfs/dbraw/zinc/41/28/91/597412891.db2.gz SHQIIKMNPVTHKV-UHFFFAOYSA-N 2 1 336.823 1.735 20 0 EDADMP COc1cnc(F)c(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000877163490 597448618 /nfs/dbraw/zinc/44/86/18/597448618.db2.gz RGARZHFGEVLUNE-UHFFFAOYSA-N 2 1 334.395 1.855 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000877230035 597469813 /nfs/dbraw/zinc/46/98/13/597469813.db2.gz VRPLLXUOLFDPKZ-MJGOQNOKSA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000877230035 597469814 /nfs/dbraw/zinc/46/98/14/597469814.db2.gz VRPLLXUOLFDPKZ-MJGOQNOKSA-N 2 1 345.487 1.702 20 0 EDADMP COCC[N@H+](Cc1cnc2c(cnn2C)c1)CC1CC[NH+](C)CC1 ZINC000877664864 597545935 /nfs/dbraw/zinc/54/59/35/597545935.db2.gz ZLUZKDVBEJGXBA-UHFFFAOYSA-N 2 1 331.464 1.759 20 0 EDADMP Cn1c2ccc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)cc2oc1=O ZINC000877746256 597552751 /nfs/dbraw/zinc/55/27/51/597552751.db2.gz JWVDCJHGIFIEEB-UHFFFAOYSA-N 2 1 344.459 1.343 20 0 EDADMP COc1ccc([C@@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000878022063 597569863 /nfs/dbraw/zinc/56/98/63/597569863.db2.gz BDUYVLOLRUHAEV-MRXNPFEDSA-N 2 1 331.460 1.695 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3C[C@H]4CCC[C@H]4O3)CC2)CC1 ZINC000878247139 597589688 /nfs/dbraw/zinc/58/96/88/597589688.db2.gz USIQYKKRYGIZBZ-CEXWTWQISA-N 2 1 349.519 1.820 20 0 EDADMP CN(CC[N@H+](C)CCCS(=O)(=O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000878311517 597594557 /nfs/dbraw/zinc/59/45/57/597594557.db2.gz OBIKMOJRIFPVPR-UHFFFAOYSA-N 2 1 347.569 1.548 20 0 EDADMP CN(CC[N@@H+](C)CCCS(=O)(=O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000878311517 597594558 /nfs/dbraw/zinc/59/45/58/597594558.db2.gz OBIKMOJRIFPVPR-UHFFFAOYSA-N 2 1 347.569 1.548 20 0 EDADMP COc1ccc2c(c1)CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)CC2 ZINC000878311723 597594616 /nfs/dbraw/zinc/59/46/16/597594616.db2.gz WDXYWTOTQWIIIM-UHFFFAOYSA-N 2 1 331.460 1.306 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000878406031 597599994 /nfs/dbraw/zinc/59/99/94/597599994.db2.gz XJNHCCSVAAIWMO-KRWDZBQOSA-N 2 1 335.423 1.489 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000878406031 597599995 /nfs/dbraw/zinc/59/99/95/597599995.db2.gz XJNHCCSVAAIWMO-KRWDZBQOSA-N 2 1 335.423 1.489 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H]3CC=CC[C@@H]3C2)C1 ZINC000879527853 597619561 /nfs/dbraw/zinc/61/95/61/597619561.db2.gz BTJARHLAQUJERF-KSZLIROESA-N 2 1 335.492 1.357 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)C1 ZINC000879527853 597619566 /nfs/dbraw/zinc/61/95/66/597619566.db2.gz BTJARHLAQUJERF-KSZLIROESA-N 2 1 335.492 1.357 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)C1 ZINC000879527853 597619571 /nfs/dbraw/zinc/61/95/71/597619571.db2.gz BTJARHLAQUJERF-KSZLIROESA-N 2 1 335.492 1.357 20 0 EDADMP Cn1nc2c(c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CSCC2 ZINC000883111357 597653118 /nfs/dbraw/zinc/65/31/18/597653118.db2.gz BAMVRCBLAMBQES-UHFFFAOYSA-N 2 1 337.537 1.325 20 0 EDADMP CN(CCC[N@@H+](C)C[C@H]1CCC2(CCOCC2)O1)CC[NH+](C)C ZINC000878623788 597659749 /nfs/dbraw/zinc/65/97/49/597659749.db2.gz XGVOWYUMMNUSTB-QGZVFWFLSA-N 2 1 327.513 1.530 20 0 EDADMP C[C@H](CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[N@@H+](C)C1CC1 ZINC000883332455 597716113 /nfs/dbraw/zinc/71/61/13/597716113.db2.gz VTIKTNQXZCAZMI-CQSZACIVSA-N 2 1 338.496 1.412 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(CC3CC3)C2)[C@@H](C)C1 ZINC000883394659 597730756 /nfs/dbraw/zinc/73/07/56/597730756.db2.gz DYUSSIKGWSDAMR-SZMVWBNQSA-N 2 1 337.508 1.724 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](CCCOC(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000883424061 597742014 /nfs/dbraw/zinc/74/20/14/597742014.db2.gz DRQKQPJJBFGLFQ-CHWSQXEVSA-N 2 1 337.386 1.493 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000883442268 597748603 /nfs/dbraw/zinc/74/86/03/597748603.db2.gz ICXIVUTXUNOYFI-CVEARBPZSA-N 2 1 344.459 1.145 20 0 EDADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000879948641 597780268 /nfs/dbraw/zinc/78/02/68/597780268.db2.gz IISUCPLDYCILCD-QGZVFWFLSA-N 2 1 340.508 1.883 20 0 EDADMP COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879952604 597781509 /nfs/dbraw/zinc/78/15/09/597781509.db2.gz XPNAVHJGYFZMMF-SJORKVTESA-N 2 1 328.497 1.739 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](C(C)(C)O)C1)c1ccccc1 ZINC000879963747 597786652 /nfs/dbraw/zinc/78/66/52/597786652.db2.gz NQCKQDXKJSMRJM-ZWKOTPCHSA-N 2 1 347.503 1.888 20 0 EDADMP Cc1nc2nc(C)cc(N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)n2n1 ZINC000881972551 597823215 /nfs/dbraw/zinc/82/32/15/597823215.db2.gz AKZSLGJERAAHQY-INIZCTEOSA-N 2 1 343.479 1.346 20 0 EDADMP Cc1nc2nc(C)cc(N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)n2n1 ZINC000881972551 597823217 /nfs/dbraw/zinc/82/32/17/597823217.db2.gz AKZSLGJERAAHQY-INIZCTEOSA-N 2 1 343.479 1.346 20 0 EDADMP COCC[N@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)CC1CC[NH+](C)CC1 ZINC000879123224 597826388 /nfs/dbraw/zinc/82/63/88/597826388.db2.gz SYSQWFMBHSTRHG-CALCHBBNSA-N 2 1 339.524 1.781 20 0 EDADMP COCC[N@@H+](Cc1nccn1CC(F)F)CC1CC[NH+](C)CC1 ZINC000879125517 597826727 /nfs/dbraw/zinc/82/67/27/597826727.db2.gz DCVFOTMLDBAIDL-UHFFFAOYSA-N 2 1 330.423 1.938 20 0 EDADMP COCC[N@H+](Cc1nccn1CC(F)F)CC1CC[NH+](C)CC1 ZINC000879125517 597826729 /nfs/dbraw/zinc/82/67/29/597826729.db2.gz DCVFOTMLDBAIDL-UHFFFAOYSA-N 2 1 330.423 1.938 20 0 EDADMP CC(C)(O)[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000880143827 597855410 /nfs/dbraw/zinc/85/54/10/597855410.db2.gz QKFFOEQMAAWLIQ-MRXNPFEDSA-N 2 1 346.475 1.213 20 0 EDADMP C[NH+](C)CC1(C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)CC1 ZINC000882331074 597936835 /nfs/dbraw/zinc/93/68/35/597936835.db2.gz VEBLULFKUZCBGX-UHFFFAOYSA-N 2 1 325.497 1.678 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884195754 598022959 /nfs/dbraw/zinc/02/29/59/598022959.db2.gz YCYRUBLRZKNHQZ-SUMWQHHRSA-N 2 1 339.443 1.995 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000130316053 598086818 /nfs/dbraw/zinc/08/68/18/598086818.db2.gz OVWUFYMYAGRUKO-CAOSSQGBSA-N 2 1 338.496 1.362 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C[C@@H]1C ZINC000130316053 598086821 /nfs/dbraw/zinc/08/68/21/598086821.db2.gz OVWUFYMYAGRUKO-CAOSSQGBSA-N 2 1 338.496 1.362 20 0 EDADMP COCC[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC000884430496 598103109 /nfs/dbraw/zinc/10/31/09/598103109.db2.gz RLZNZXNHVDWAAM-ZWKOTPCHSA-N 2 1 333.476 1.719 20 0 EDADMP COCC[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC000884430496 598103111 /nfs/dbraw/zinc/10/31/11/598103111.db2.gz RLZNZXNHVDWAAM-ZWKOTPCHSA-N 2 1 333.476 1.719 20 0 EDADMP COc1cccc2c(NCC[N@H+](C)CCOCCO)cc(C)[nH+]c12 ZINC000882951787 598114303 /nfs/dbraw/zinc/11/43/03/598114303.db2.gz UXNGOCRFAQJDKS-UHFFFAOYSA-N 2 1 333.432 1.904 20 0 EDADMP COc1cccc2c(NCC[N@@H+](C)CCOCCO)cc(C)[nH+]c12 ZINC000882951787 598114304 /nfs/dbraw/zinc/11/43/04/598114304.db2.gz UXNGOCRFAQJDKS-UHFFFAOYSA-N 2 1 333.432 1.904 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000916658697 696713442 /nfs/dbraw/zinc/71/34/42/696713442.db2.gz VJOCRMVWJTWSGQ-NEWSRXKRSA-N 2 1 344.503 1.943 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000916658697 696713444 /nfs/dbraw/zinc/71/34/44/696713444.db2.gz VJOCRMVWJTWSGQ-NEWSRXKRSA-N 2 1 344.503 1.943 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C)Cc1ccccc1 ZINC000914067434 695056680 /nfs/dbraw/zinc/05/66/80/695056680.db2.gz RWPRNQUHCGQBCB-QZTJIDSGSA-N 2 1 332.492 1.943 20 0 EDADMP CCO[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)C[NH+](C)C ZINC000914074383 695069247 /nfs/dbraw/zinc/06/92/47/695069247.db2.gz DKEVCZMABZWINS-ARFHVFGLSA-N 2 1 328.501 1.373 20 0 EDADMP CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC000992735933 695255546 /nfs/dbraw/zinc/25/55/46/695255546.db2.gz BSSORMSZJYJYGV-CWRNSKLLSA-N 2 1 334.464 1.975 20 0 EDADMP C[C@@H](NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)C(C)(C)C[NH+](C)C ZINC000914237093 695295713 /nfs/dbraw/zinc/29/57/13/695295713.db2.gz MYAMTCCVVIDVIC-ZBFHGGJFSA-N 2 1 331.526 1.368 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CC)CN2CCOCC2)C1 ZINC000914338536 695370000 /nfs/dbraw/zinc/37/00/00/695370000.db2.gz YJRTZQDRUFVFEM-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CCC2CCOCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001015389307 695385117 /nfs/dbraw/zinc/38/51/17/695385117.db2.gz YJEVBBIKDLMJTP-MOPGFXCFSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000915135005 695747364 /nfs/dbraw/zinc/74/73/64/695747364.db2.gz BFWBINZBWFNABQ-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000915135005 695747366 /nfs/dbraw/zinc/74/73/66/695747366.db2.gz BFWBINZBWFNABQ-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000915135005 695747368 /nfs/dbraw/zinc/74/73/68/695747368.db2.gz BFWBINZBWFNABQ-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000322724712 696026278 /nfs/dbraw/zinc/02/62/78/696026278.db2.gz RVKTVJILYJPVJF-BFYDXBDKSA-N 2 1 338.473 1.340 20 0 EDADMP CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000322724712 696026281 /nfs/dbraw/zinc/02/62/81/696026281.db2.gz RVKTVJILYJPVJF-BFYDXBDKSA-N 2 1 338.473 1.340 20 0 EDADMP Cc1nocc1C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993761773 696360645 /nfs/dbraw/zinc/36/06/45/696360645.db2.gz OQRYBKICTZWFHF-YOEHRIQHSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nocc1C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993761773 696360648 /nfs/dbraw/zinc/36/06/48/696360648.db2.gz OQRYBKICTZWFHF-YOEHRIQHSA-N 2 1 334.464 1.794 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccns1 ZINC000993765885 696363324 /nfs/dbraw/zinc/36/33/24/696363324.db2.gz WJHVLSGJCULDLI-CZUORRHYSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccns1 ZINC000993765885 696363328 /nfs/dbraw/zinc/36/33/28/696363328.db2.gz WJHVLSGJCULDLI-CZUORRHYSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H]1[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC[N@@H+]1CCCO ZINC000994115333 696539589 /nfs/dbraw/zinc/53/95/89/696539589.db2.gz RJWHEVAWMUKPGF-WMLDXEAASA-N 2 1 343.431 1.232 20 0 EDADMP C[C@H]1[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC[N@H+]1CCCO ZINC000994115333 696539590 /nfs/dbraw/zinc/53/95/90/696539590.db2.gz RJWHEVAWMUKPGF-WMLDXEAASA-N 2 1 343.431 1.232 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000916360506 696655117 /nfs/dbraw/zinc/65/51/17/696655117.db2.gz HWVHMIYKRBZQGJ-GOEBONIOSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000916360506 696655119 /nfs/dbraw/zinc/65/51/19/696655119.db2.gz HWVHMIYKRBZQGJ-GOEBONIOSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000916360506 696655121 /nfs/dbraw/zinc/65/51/21/696655121.db2.gz HWVHMIYKRBZQGJ-GOEBONIOSA-N 2 1 326.485 1.269 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)ncn1 ZINC000994257056 696664446 /nfs/dbraw/zinc/66/44/46/696664446.db2.gz SFQWRAWDOGXKNM-DOTOQJQBSA-N 2 1 343.475 1.350 20 0 EDADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)ncn1 ZINC000994257056 696664449 /nfs/dbraw/zinc/66/44/49/696664449.db2.gz SFQWRAWDOGXKNM-DOTOQJQBSA-N 2 1 343.475 1.350 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](CC[C@@H]3CCOC3)C2)c1 ZINC001031433634 697095501 /nfs/dbraw/zinc/09/55/01/697095501.db2.gz OQYNKVPUTILWDK-OAHLLOKOSA-N 2 1 331.460 1.589 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CN(C[C@@H](O)Cc2ccccc2)C1 ZINC001031440021 697109000 /nfs/dbraw/zinc/10/90/00/697109000.db2.gz OJZZIJCUYMBVAK-OALUTQOASA-N 2 1 345.487 1.265 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031579189 697274807 /nfs/dbraw/zinc/27/48/07/697274807.db2.gz DBLUGFFOFYZHPZ-SFHVURJKSA-N 2 1 330.476 1.395 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001031584598 697280032 /nfs/dbraw/zinc/28/00/32/697280032.db2.gz GSVGJJIOMMTDGJ-QWHCGFSZSA-N 2 1 334.291 1.713 20 0 EDADMP CCc1ccccc1CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031596113 697296303 /nfs/dbraw/zinc/29/63/03/697296303.db2.gz GPRDXBPJHVOUHE-LJQANCHMSA-N 2 1 345.487 1.170 20 0 EDADMP CCc1ccccc1CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031596113 697296304 /nfs/dbraw/zinc/29/63/04/697296304.db2.gz GPRDXBPJHVOUHE-LJQANCHMSA-N 2 1 345.487 1.170 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1CC(C)C ZINC000920417093 697428347 /nfs/dbraw/zinc/42/83/47/697428347.db2.gz IQBGARJGTQOCFI-INIZCTEOSA-N 2 1 328.501 1.326 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000920417093 697428348 /nfs/dbraw/zinc/42/83/48/697428348.db2.gz IQBGARJGTQOCFI-INIZCTEOSA-N 2 1 328.501 1.326 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000920417093 697428350 /nfs/dbraw/zinc/42/83/50/697428350.db2.gz IQBGARJGTQOCFI-INIZCTEOSA-N 2 1 328.501 1.326 20 0 EDADMP O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001031672457 697476925 /nfs/dbraw/zinc/47/69/25/697476925.db2.gz HAWRLZXLSKBORC-FUHWJXTLSA-N 2 1 349.519 1.726 20 0 EDADMP CC1(C)CC(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001031688241 697523540 /nfs/dbraw/zinc/52/35/40/697523540.db2.gz BCSRMMRPJXJGFK-SJORKVTESA-N 2 1 335.492 1.334 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2c(C)noc2CC)C1 ZINC001031715037 697738037 /nfs/dbraw/zinc/73/80/37/697738037.db2.gz PDRFTEWQGOPAJX-KRWDZBQOSA-N 2 1 348.491 1.968 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2c(C)noc2CC)C1 ZINC001031715037 697738040 /nfs/dbraw/zinc/73/80/40/697738040.db2.gz PDRFTEWQGOPAJX-KRWDZBQOSA-N 2 1 348.491 1.968 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2c(C)noc2CC)C1 ZINC001031715037 697738043 /nfs/dbraw/zinc/73/80/43/697738043.db2.gz PDRFTEWQGOPAJX-KRWDZBQOSA-N 2 1 348.491 1.968 20 0 EDADMP CCn1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)n1 ZINC000995038590 700226863 /nfs/dbraw/zinc/22/68/63/700226863.db2.gz QWKSXGLFSUBZDI-HZPDHXFCSA-N 2 1 344.463 1.483 20 0 EDADMP CC(C)N1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000354405449 698762463 /nfs/dbraw/zinc/76/24/63/698762463.db2.gz NWWSEVXZHNKDFL-OALUTQOASA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000354405449 698762469 /nfs/dbraw/zinc/76/24/69/698762469.db2.gz NWWSEVXZHNKDFL-OALUTQOASA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000354405449 698762472 /nfs/dbraw/zinc/76/24/72/698762472.db2.gz NWWSEVXZHNKDFL-OALUTQOASA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000354405449 698762475 /nfs/dbraw/zinc/76/24/75/698762475.db2.gz NWWSEVXZHNKDFL-OALUTQOASA-N 2 1 345.487 1.876 20 0 EDADMP Cn1cc(CC[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)cn1 ZINC001031765457 699051894 /nfs/dbraw/zinc/05/18/94/699051894.db2.gz HKFUCKYSDKMIBP-ROUUACIJSA-N 2 1 345.491 1.028 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCOc2ccc(F)cc2)C1 ZINC001031771816 699093715 /nfs/dbraw/zinc/09/37/15/699093715.db2.gz JNUFVFRUZLHICI-SFHVURJKSA-N 2 1 349.450 1.737 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000939133482 699218187 /nfs/dbraw/zinc/21/81/87/699218187.db2.gz RNNAHWCOLMOTJP-ZBFHGGJFSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000939137051 699223462 /nfs/dbraw/zinc/22/34/62/699223462.db2.gz DPNRXKIYBYFLSL-NVXWUHKLSA-N 2 1 347.507 1.131 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1NCc1nncs1 ZINC000939137576 699225107 /nfs/dbraw/zinc/22/51/07/699225107.db2.gz KNHAMSDELCDFMM-QWHCGFSZSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1nncs1 ZINC000939137576 699225111 /nfs/dbraw/zinc/22/51/11/699225111.db2.gz KNHAMSDELCDFMM-QWHCGFSZSA-N 2 1 337.493 1.207 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939257172 699434215 /nfs/dbraw/zinc/43/42/15/699434215.db2.gz KMXDTJNXDUESDG-PBHICJAKSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000939314310 699488174 /nfs/dbraw/zinc/48/81/74/699488174.db2.gz LPJVKEXDKVVFET-HKUYNNGSSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC001031813211 699489452 /nfs/dbraw/zinc/48/94/52/699489452.db2.gz QBHWJIDFTXTKBL-UHFFFAOYSA-N 2 1 332.448 1.468 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1[NH2+]Cc1ccon1 ZINC000939316842 699506842 /nfs/dbraw/zinc/50/68/42/699506842.db2.gz SVWOITIANGBCQT-KDOFPFPSSA-N 2 1 342.443 1.987 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccnc2C)C1 ZINC000939747771 699894305 /nfs/dbraw/zinc/89/43/05/699894305.db2.gz LIQUGYMXQJAKGI-SUMWQHHRSA-N 2 1 327.432 1.532 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000939750322 699897842 /nfs/dbraw/zinc/89/78/42/699897842.db2.gz YRZPDCWXEZWIIC-BZNIZROVSA-N 2 1 331.420 1.433 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000939750319 699897901 /nfs/dbraw/zinc/89/79/01/699897901.db2.gz YRZPDCWXEZWIIC-BDJLRTHQSA-N 2 1 331.420 1.433 20 0 EDADMP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)c1 ZINC000939755091 699906030 /nfs/dbraw/zinc/90/60/30/699906030.db2.gz PFBFHFDJEBMFBS-KBXCAEBGSA-N 2 1 342.443 1.837 20 0 EDADMP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)o1 ZINC000939757248 699923794 /nfs/dbraw/zinc/92/37/94/699923794.db2.gz XMUGPJLEAQUPOF-SWLSCSKDSA-N 2 1 345.447 1.687 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000940178415 700311683 /nfs/dbraw/zinc/31/16/83/700311683.db2.gz GOQUQNOGJWIYCL-KRWDZBQOSA-N 2 1 347.507 1.684 20 0 EDADMP CCn1ccc(C[N@@H+]2CCC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)CC2)n1 ZINC000948245436 700474370 /nfs/dbraw/zinc/47/43/70/700474370.db2.gz QVVDALIQXRNLLG-ROUUACIJSA-N 2 1 347.507 1.810 20 0 EDADMP CCn1ccc(C[N@H+]2CCC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)CC2)n1 ZINC000948245436 700474371 /nfs/dbraw/zinc/47/43/71/700474371.db2.gz QVVDALIQXRNLLG-ROUUACIJSA-N 2 1 347.507 1.810 20 0 EDADMP CCn1ccc(C[NH+]2CCC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000948245436 700474372 /nfs/dbraw/zinc/47/43/72/700474372.db2.gz QVVDALIQXRNLLG-ROUUACIJSA-N 2 1 347.507 1.810 20 0 EDADMP CCn1ccc(C[NH+]2CCC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000948245436 700474373 /nfs/dbraw/zinc/47/43/73/700474373.db2.gz QVVDALIQXRNLLG-ROUUACIJSA-N 2 1 347.507 1.810 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940327780 700505070 /nfs/dbraw/zinc/50/50/70/700505070.db2.gz UAZNFJRCYATOPE-OLZOCXBDSA-N 2 1 337.493 1.207 20 0 EDADMP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000940328148 700505583 /nfs/dbraw/zinc/50/55/83/700505583.db2.gz GJJLYHFAWLVVBZ-JSGCOSHPSA-N 2 1 335.452 1.046 20 0 EDADMP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000940328916 700507305 /nfs/dbraw/zinc/50/73/05/700507305.db2.gz NJAHESDSSILTGK-OAHLLOKOSA-N 2 1 348.495 1.253 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3ccccn3)CC2)C1 ZINC000940329702 700509668 /nfs/dbraw/zinc/50/96/68/700509668.db2.gz XOHREODQLOYICJ-INIZCTEOSA-N 2 1 330.476 1.894 20 0 EDADMP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000940329685 700509794 /nfs/dbraw/zinc/50/97/94/700509794.db2.gz WXOUHNNIVHRHPD-OAHLLOKOSA-N 2 1 348.495 1.111 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3ccc(CO)cc3)CC2)C1 ZINC000940461626 700664817 /nfs/dbraw/zinc/66/48/17/700664817.db2.gz FWRAWUILJPRZFI-SFHVURJKSA-N 2 1 345.487 1.601 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](CCF)CC2(C)C)n1 ZINC000940752452 700890126 /nfs/dbraw/zinc/89/01/26/700890126.db2.gz CTXORSYSWZPKCB-HNNXBMFYSA-N 2 1 339.459 1.245 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+](CCF)CC2(C)C)n1 ZINC000940752452 700890128 /nfs/dbraw/zinc/89/01/28/700890128.db2.gz CTXORSYSWZPKCB-HNNXBMFYSA-N 2 1 339.459 1.245 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000940795679 700914696 /nfs/dbraw/zinc/91/46/96/700914696.db2.gz QQCUITWGCLMQPS-IRXDYDNUSA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C(C)(C)C1 ZINC000940795679 700914697 /nfs/dbraw/zinc/91/46/97/700914697.db2.gz QQCUITWGCLMQPS-IRXDYDNUSA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C(C)(C)C1 ZINC000940795679 700914698 /nfs/dbraw/zinc/91/46/98/700914698.db2.gz QQCUITWGCLMQPS-IRXDYDNUSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C)[NH+]1CCCC1 ZINC000940945251 701010788 /nfs/dbraw/zinc/01/07/88/701010788.db2.gz ZJWPFSQGWJWWSN-HNNXBMFYSA-N 2 1 325.497 1.460 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC001031918814 701037435 /nfs/dbraw/zinc/03/74/35/701037435.db2.gz IAYHDXWXNKYIPE-AEFFLSMTSA-N 2 1 337.508 1.583 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3oc(C)nc3C)C2)C1 ZINC001031919007 701040572 /nfs/dbraw/zinc/04/05/72/701040572.db2.gz JYNMRYQQMWOPJW-KRWDZBQOSA-N 2 1 348.491 1.961 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3oc(C)nc3C)C2)C1 ZINC001031919007 701040574 /nfs/dbraw/zinc/04/05/74/701040574.db2.gz JYNMRYQQMWOPJW-KRWDZBQOSA-N 2 1 348.491 1.961 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)nn1C ZINC000941217398 701403619 /nfs/dbraw/zinc/40/36/19/701403619.db2.gz NTEVZLACVOKNDE-DOTOQJQBSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)nn1C ZINC000941217398 701403620 /nfs/dbraw/zinc/40/36/20/701403620.db2.gz NTEVZLACVOKNDE-DOTOQJQBSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)nn1C ZINC000941217398 701403621 /nfs/dbraw/zinc/40/36/21/701403621.db2.gz NTEVZLACVOKNDE-DOTOQJQBSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)nn1C ZINC000941217398 701403622 /nfs/dbraw/zinc/40/36/22/701403622.db2.gz NTEVZLACVOKNDE-DOTOQJQBSA-N 2 1 347.507 1.397 20 0 EDADMP Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941217422 701403865 /nfs/dbraw/zinc/40/38/65/701403865.db2.gz OPJLTVCIVQCXHL-DLBZAZTESA-N 2 1 347.507 1.131 20 0 EDADMP Cn1cc(CC[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)cn1 ZINC000941217422 701403866 /nfs/dbraw/zinc/40/38/66/701403866.db2.gz OPJLTVCIVQCXHL-DLBZAZTESA-N 2 1 347.507 1.131 20 0 EDADMP Cn1cc(CC[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)cn1 ZINC000941217422 701403867 /nfs/dbraw/zinc/40/38/67/701403867.db2.gz OPJLTVCIVQCXHL-DLBZAZTESA-N 2 1 347.507 1.131 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)cn1 ZINC000941220534 701410891 /nfs/dbraw/zinc/41/08/91/701410891.db2.gz FXWVBKHRPZLSHA-MRXNPFEDSA-N 2 1 333.480 1.233 20 0 EDADMP CC[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1)OC ZINC000946518374 706602261 /nfs/dbraw/zinc/60/22/61/706602261.db2.gz RQWVHNYAGUWLHR-XMTFNYHQSA-N 2 1 337.508 1.676 20 0 EDADMP CC[C@H](C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1)OC ZINC000946518374 706602263 /nfs/dbraw/zinc/60/22/63/706602263.db2.gz RQWVHNYAGUWLHR-XMTFNYHQSA-N 2 1 337.508 1.676 20 0 EDADMP CC[C@H](C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1)OC ZINC000946518374 706602266 /nfs/dbraw/zinc/60/22/66/706602266.db2.gz RQWVHNYAGUWLHR-XMTFNYHQSA-N 2 1 337.508 1.676 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128802 701799777 /nfs/dbraw/zinc/79/97/77/701799777.db2.gz KRDZTMIPVVFAOA-DOTOQJQBSA-N 2 1 334.464 1.651 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032129299 701817812 /nfs/dbraw/zinc/81/78/12/701817812.db2.gz UXDNIMCQPLOVMA-RDJZCZTQSA-N 2 1 348.491 1.905 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCc3ccccc3F)C2)C1 ZINC001032201510 701832999 /nfs/dbraw/zinc/83/29/99/701832999.db2.gz GJZOKLGVGPKPFT-SFHVURJKSA-N 2 1 349.450 1.137 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCCC3CCCC3)C2)C1 ZINC001032201933 701909718 /nfs/dbraw/zinc/90/97/18/701909718.db2.gz LHEUOAZGNYMONB-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCCC3CCCC3)C2)C1 ZINC001032201933 701909723 /nfs/dbraw/zinc/90/97/23/701909723.db2.gz LHEUOAZGNYMONB-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999190259 706633007 /nfs/dbraw/zinc/63/30/07/706633007.db2.gz PMMRKVUBYDWOIQ-OWCLPIDISA-N 2 1 348.495 1.280 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999190259 706633012 /nfs/dbraw/zinc/63/30/12/706633012.db2.gz PMMRKVUBYDWOIQ-OWCLPIDISA-N 2 1 348.495 1.280 20 0 EDADMP Cc1nnsc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999191299 706634159 /nfs/dbraw/zinc/63/41/59/706634159.db2.gz XFEXVCPBIUVQKJ-HZSPNIEDSA-N 2 1 337.493 1.267 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH2+]Cc1ccon1 ZINC000995821425 702090367 /nfs/dbraw/zinc/09/03/67/702090367.db2.gz IDPJHJKUDTVBHL-HOTGVXAUSA-N 2 1 332.448 1.343 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccon3)C(C)(C)C2)C1 ZINC000995886680 702223359 /nfs/dbraw/zinc/22/33/59/702223359.db2.gz RZFMRZMPPXQSLF-DOTOQJQBSA-N 2 1 348.491 1.979 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccon3)C(C)(C)C2)C1 ZINC000995886680 702223364 /nfs/dbraw/zinc/22/33/64/702223364.db2.gz RZFMRZMPPXQSLF-DOTOQJQBSA-N 2 1 348.491 1.979 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)C(C)(C)C1)C1CCC1 ZINC000995917582 702235819 /nfs/dbraw/zinc/23/58/19/702235819.db2.gz LJBCLSUUNPBFLC-DOTOQJQBSA-N 2 1 337.508 1.724 20 0 EDADMP Cn1ccc(C[NH2+][C@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995919338 702239481 /nfs/dbraw/zinc/23/94/81/702239481.db2.gz YZMBKJZLOYODTL-IRXDYDNUSA-N 2 1 347.507 1.621 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995921737 702244409 /nfs/dbraw/zinc/24/44/09/702244409.db2.gz XVOXRRZXDLVBKB-INIZCTEOSA-N 2 1 347.507 1.714 20 0 EDADMP COc1ccc(OCC[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032186806 702284925 /nfs/dbraw/zinc/28/49/25/702284925.db2.gz XFGCOCUGHRHMAY-MRXNPFEDSA-N 2 1 347.459 1.074 20 0 EDADMP COc1cccc([C@@H](C)[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032186097 702315357 /nfs/dbraw/zinc/31/53/57/702315357.db2.gz IKVSKPIMXADSFJ-RHSMWYFYSA-N 2 1 331.460 1.756 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)o1 ZINC000995986672 702349601 /nfs/dbraw/zinc/34/96/01/702349601.db2.gz ZETPQNPACUCCGU-HOTGVXAUSA-N 2 1 334.464 1.794 20 0 EDADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995972950 702357629 /nfs/dbraw/zinc/35/76/29/702357629.db2.gz FJMJTEDYCUOBFJ-JKSUJKDBSA-N 2 1 333.480 1.231 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000995973040 702357948 /nfs/dbraw/zinc/35/79/48/702357948.db2.gz FQZAHLIQWNGPIP-ZIAGYGMSSA-N 2 1 337.493 1.349 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnc(C)nc3)C2)CC[N@H+]1C ZINC000999210110 706662996 /nfs/dbraw/zinc/66/29/96/706662996.db2.gz TZHACWCQHUSBDM-OKZBNKHCSA-N 2 1 345.491 1.596 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944154124 702443421 /nfs/dbraw/zinc/44/34/21/702443421.db2.gz KCQMKXMEMDPZQP-NVXWUHKLSA-N 2 1 328.460 1.504 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+][C@H](C)c2cnccn2)C(C)(C)C1 ZINC000996041687 702457600 /nfs/dbraw/zinc/45/76/00/702457600.db2.gz GZTKKQOEASRJEG-ZBFHGGJFSA-N 2 1 342.447 1.569 20 0 EDADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC000996293116 702685392 /nfs/dbraw/zinc/68/53/92/702685392.db2.gz BIDQPCJVUBZTTF-CZUORRHYSA-N 2 1 334.464 1.794 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996301460 702693445 /nfs/dbraw/zinc/69/34/45/702693445.db2.gz TWIDTFDLBQUVJN-HOCLYGCPSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996302674 702694597 /nfs/dbraw/zinc/69/45/97/702694597.db2.gz YRHWRBZSQJPFCE-DZGCQCFKSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)o1 ZINC000996302771 702694707 /nfs/dbraw/zinc/69/47/07/702694707.db2.gz ZCJBHANCAXTPTD-SUMWQHHRSA-N 2 1 348.491 1.960 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cncs3)C(C)(C)C2)C1 ZINC000996302772 702694892 /nfs/dbraw/zinc/69/48/92/702694892.db2.gz ZGEKPYFXXQTAIB-DZGCQCFKSA-N 2 1 336.505 1.812 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942205414 702710607 /nfs/dbraw/zinc/71/06/07/702710607.db2.gz SBRIDBNMNMZKPI-CXAGYDPISA-N 2 1 330.432 1.729 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942257439 702748390 /nfs/dbraw/zinc/74/83/90/702748390.db2.gz LLADKHPSIPTDRR-PBHICJAKSA-N 2 1 346.475 1.938 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000996608112 702911421 /nfs/dbraw/zinc/91/14/21/702911421.db2.gz QLJAFWSTKYHVNE-UKRRQHHQSA-N 2 1 349.479 1.443 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996608112 702911424 /nfs/dbraw/zinc/91/14/24/702911424.db2.gz QLJAFWSTKYHVNE-UKRRQHHQSA-N 2 1 349.479 1.443 20 0 EDADMP C[C@H]([NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C)c1ncccn1 ZINC000996608165 702911533 /nfs/dbraw/zinc/91/15/33/702911533.db2.gz BVIGTLFZXOMECR-GJZGRUSLSA-N 2 1 331.464 1.460 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cnc(C)nc3)CC2)CC[N@H+]1C ZINC000996604125 702913828 /nfs/dbraw/zinc/91/38/28/702913828.db2.gz RFKFRKFWSNBGIW-ZWKOTPCHSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996610036 702921043 /nfs/dbraw/zinc/92/10/43/702921043.db2.gz JAYTUSUSSIRFPK-TZMCWYRMSA-N 2 1 337.493 1.125 20 0 EDADMP CCn1cc(CC[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996615011 702922234 /nfs/dbraw/zinc/92/22/34/702922234.db2.gz ONGQDAJTWHCHIZ-IRXDYDNUSA-N 2 1 347.507 1.224 20 0 EDADMP CC1(C)CC(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000996618349 702924931 /nfs/dbraw/zinc/92/49/31/702924931.db2.gz FLFWVMOXAMRKJI-QZTJIDSGSA-N 2 1 349.519 1.866 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000996644193 702946611 /nfs/dbraw/zinc/94/66/11/702946611.db2.gz HCBLEXWTZOYJAQ-GOSISDBHSA-N 2 1 347.507 1.418 20 0 EDADMP Cc1nnsc1C[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000996663957 702962030 /nfs/dbraw/zinc/96/20/30/702962030.db2.gz BOFOMVVDARUMQA-UHFFFAOYSA-N 2 1 337.493 1.411 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nncn2C)CC1 ZINC000996664293 702966422 /nfs/dbraw/zinc/96/64/22/702966422.db2.gz UKTSOKWMSNDAJB-HOCLYGCPSA-N 2 1 348.495 1.331 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000996665765 702968171 /nfs/dbraw/zinc/96/81/71/702968171.db2.gz ZFEMVILHBOTBQB-XJKSGUPXSA-N 2 1 348.495 1.629 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)[nH]1 ZINC000996672194 702973230 /nfs/dbraw/zinc/97/32/30/702973230.db2.gz LJBPMGVYHPTTNX-LBPRGKRZSA-N 2 1 334.468 1.239 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)ncn1 ZINC000996691133 702988613 /nfs/dbraw/zinc/98/86/13/702988613.db2.gz SHNGGYJHASOJDU-SFHVURJKSA-N 2 1 345.491 1.740 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996715245 703010214 /nfs/dbraw/zinc/01/02/14/703010214.db2.gz DZGZLQJVJUDZER-HZPDHXFCSA-N 2 1 333.436 1.167 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000942518049 703011643 /nfs/dbraw/zinc/01/16/43/703011643.db2.gz LGUAOAIESRUEEK-RHSMWYFYSA-N 2 1 327.432 1.613 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000942518049 703011646 /nfs/dbraw/zinc/01/16/46/703011646.db2.gz LGUAOAIESRUEEK-RHSMWYFYSA-N 2 1 327.432 1.613 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000996723487 703018341 /nfs/dbraw/zinc/01/83/41/703018341.db2.gz NIAPONSAGQFNBF-GOSISDBHSA-N 2 1 345.491 1.394 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000996727670 703022574 /nfs/dbraw/zinc/02/25/74/703022574.db2.gz IAVOTFTXNIAUSI-KRWDZBQOSA-N 2 1 333.480 1.293 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000942537403 703038048 /nfs/dbraw/zinc/03/80/48/703038048.db2.gz AJEVDQPFIJABGE-MAUKXSAKSA-N 2 1 342.443 1.959 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001032026392 703053621 /nfs/dbraw/zinc/05/36/21/703053621.db2.gz CUTIMHPQBROWLJ-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000996765171 703053789 /nfs/dbraw/zinc/05/37/89/703053789.db2.gz UIKCBAKCOYOIFH-GOSISDBHSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CC[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000996922168 703193185 /nfs/dbraw/zinc/19/31/85/703193185.db2.gz NGQFEVJXOOZQSF-XYJFISCASA-N 2 1 337.508 1.866 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)cn1 ZINC000996998422 703255670 /nfs/dbraw/zinc/25/56/70/703255670.db2.gz JDOLKYOZLDMEMT-UHFFFAOYSA-N 2 1 345.491 1.598 20 0 EDADMP CCC(CC)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000996999867 703256831 /nfs/dbraw/zinc/25/68/31/703256831.db2.gz ULYVDNPPZHRRGG-QAPCUYQASA-N 2 1 339.524 1.970 20 0 EDADMP CCC(CC)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000996999867 703256832 /nfs/dbraw/zinc/25/68/32/703256832.db2.gz ULYVDNPPZHRRGG-QAPCUYQASA-N 2 1 339.524 1.970 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC000997002638 703259169 /nfs/dbraw/zinc/25/91/69/703259169.db2.gz XQPUCHCXGZAINS-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000997005374 703262846 /nfs/dbraw/zinc/26/28/46/703262846.db2.gz IDMWNLRENWNEDM-HIFRSBDPSA-N 2 1 334.464 1.966 20 0 EDADMP CC[C@@H](C(=O)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1)[NH+](C)C ZINC000997006054 703263511 /nfs/dbraw/zinc/26/35/11/703263511.db2.gz BGMHEXGTGRUYFF-AWEZNQCLSA-N 2 1 335.452 1.368 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)s1 ZINC000997006177 703263576 /nfs/dbraw/zinc/26/35/76/703263576.db2.gz FFZCENCLJIVFJS-FZMZJTMJSA-N 2 1 337.493 1.125 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)s1 ZINC000997008383 703266048 /nfs/dbraw/zinc/26/60/48/703266048.db2.gz LTHUEINQIXLYOE-MLGOLLRUSA-N 2 1 336.505 1.730 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000997059511 703304925 /nfs/dbraw/zinc/30/49/25/703304925.db2.gz DOOLXXMHNQMXQW-SFHVURJKSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032407834 703433618 /nfs/dbraw/zinc/43/36/18/703433618.db2.gz PCCQRFJAUCHQRT-FHWLQOOXSA-N 2 1 340.471 1.517 20 0 EDADMP Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032407834 703433621 /nfs/dbraw/zinc/43/36/21/703433621.db2.gz PCCQRFJAUCHQRT-FHWLQOOXSA-N 2 1 340.471 1.517 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)O)CC1 ZINC000997172363 703454087 /nfs/dbraw/zinc/45/40/87/703454087.db2.gz ZAPMUXSIBZYOME-WBVHZDCISA-N 2 1 325.497 1.602 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cccnc2)CC[N@H+]1C ZINC001032412254 703461452 /nfs/dbraw/zinc/46/14/52/703461452.db2.gz PBUNIXJNEAPRBP-XLAORIBOSA-N 2 1 328.460 1.597 20 0 EDADMP Cc1cncc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000997181487 703466285 /nfs/dbraw/zinc/46/62/85/703466285.db2.gz AYUKSCUWBGBTMH-MRXNPFEDSA-N 2 1 330.476 1.812 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3nnc(C4CC4)[nH]3)CC2)C1 ZINC000997182588 703467527 /nfs/dbraw/zinc/46/75/27/703467527.db2.gz GXDOAMXYPPYSEB-CYBMUJFWSA-N 2 1 346.479 1.105 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997187254 703476810 /nfs/dbraw/zinc/47/68/10/703476810.db2.gz XKDVRPKCRFQJBK-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997187254 703476812 /nfs/dbraw/zinc/47/68/12/703476812.db2.gz XKDVRPKCRFQJBK-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP CCCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000997296646 703555309 /nfs/dbraw/zinc/55/53/09/703555309.db2.gz AQNSBWZFZPVJSU-CYBMUJFWSA-N 2 1 335.452 1.054 20 0 EDADMP CCCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000997296646 703555311 /nfs/dbraw/zinc/55/53/11/703555311.db2.gz AQNSBWZFZPVJSU-CYBMUJFWSA-N 2 1 335.452 1.054 20 0 EDADMP CC(C)c1ocnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997298318 703556171 /nfs/dbraw/zinc/55/61/71/703556171.db2.gz IFOCBBMQJYHOLK-CQSZACIVSA-N 2 1 334.464 1.830 20 0 EDADMP CCCCc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997299071 703556545 /nfs/dbraw/zinc/55/65/45/703556545.db2.gz MWMYNZMDVQSULK-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP CCCCc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997299071 703556547 /nfs/dbraw/zinc/55/65/47/703556547.db2.gz MWMYNZMDVQSULK-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@@H](O)C3CCCCC3)CC2)C1 ZINC000997299523 703556799 /nfs/dbraw/zinc/55/67/99/703556799.db2.gz OWWKQFIGPAQKHF-FUHWJXTLSA-N 2 1 337.508 1.460 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cccc(Cl)n3)CC2)C1 ZINC000997299494 703556890 /nfs/dbraw/zinc/55/68/90/703556890.db2.gz OHWKPRIBIOXODP-ZDUSSCGKSA-N 2 1 336.867 1.767 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)s1 ZINC000997308561 703566472 /nfs/dbraw/zinc/56/64/72/703566472.db2.gz GHHKAFPIMXSPBB-NSHDSACASA-N 2 1 348.476 1.693 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+][C@H](C)c2cnc(C)cn2)CC1 ZINC000997310077 703567294 /nfs/dbraw/zinc/56/72/94/703567294.db2.gz NPHJJTZYCFXIFK-CQSZACIVSA-N 2 1 342.447 1.632 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2ncccn2)CC1 ZINC000997366691 703600560 /nfs/dbraw/zinc/60/05/60/703600560.db2.gz JRRVPZSCHMESTP-NVXWUHKLSA-N 2 1 345.491 1.993 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CCCCC2)CC1 ZINC001032705632 706755885 /nfs/dbraw/zinc/75/58/85/706755885.db2.gz CTWDKBNBMTYXRW-ROUUACIJSA-N 2 1 347.503 1.883 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCC2)CC1 ZINC001032705796 706756277 /nfs/dbraw/zinc/75/62/77/706756277.db2.gz KUQQUFNVJGYWPB-ROUUACIJSA-N 2 1 349.519 1.963 20 0 EDADMP CC[C@H]([NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1)C(N)=O ZINC000997371390 703650509 /nfs/dbraw/zinc/65/05/09/703650509.db2.gz JXHVPFJRNUIFRJ-IRXDYDNUSA-N 2 1 346.475 1.134 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1C ZINC000997517242 703767284 /nfs/dbraw/zinc/76/72/84/703767284.db2.gz XISDONSRJKOTIU-MAUKXSAKSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)nn1C ZINC000997517242 703767285 /nfs/dbraw/zinc/76/72/85/703767285.db2.gz XISDONSRJKOTIU-MAUKXSAKSA-N 2 1 347.507 1.539 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCCOC1 ZINC001032520628 703961423 /nfs/dbraw/zinc/96/14/23/703961423.db2.gz ADBXLLJUBKJGEC-WBAXXEDZSA-N 2 1 340.427 1.660 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ocnc2C)CC1 ZINC001004208070 703967838 /nfs/dbraw/zinc/96/78/38/703967838.db2.gz KQXBCSIKWPMGFO-INIZCTEOSA-N 2 1 334.464 1.938 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001033081476 704136788 /nfs/dbraw/zinc/13/67/88/704136788.db2.gz NHAGJJYRUOLLCG-HOCLYGCPSA-N 2 1 334.489 1.518 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001033081476 704136790 /nfs/dbraw/zinc/13/67/90/704136790.db2.gz NHAGJJYRUOLLCG-HOCLYGCPSA-N 2 1 334.489 1.518 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033081477 704136808 /nfs/dbraw/zinc/13/68/08/704136808.db2.gz JUCJZAWXNILTEH-SJLPKXTDSA-N 2 1 337.508 1.556 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033081477 704136810 /nfs/dbraw/zinc/13/68/10/704136810.db2.gz JUCJZAWXNILTEH-SJLPKXTDSA-N 2 1 337.508 1.556 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033081477 704136811 /nfs/dbraw/zinc/13/68/11/704136811.db2.gz JUCJZAWXNILTEH-SJLPKXTDSA-N 2 1 337.508 1.556 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033083474 704141679 /nfs/dbraw/zinc/14/16/79/704141679.db2.gz XKDLDWHOKMLMHV-QZTJIDSGSA-N 2 1 346.450 1.595 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033083474 704141680 /nfs/dbraw/zinc/14/16/80/704141680.db2.gz XKDLDWHOKMLMHV-QZTJIDSGSA-N 2 1 346.450 1.595 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033080209 704145536 /nfs/dbraw/zinc/14/55/36/704145536.db2.gz FOUSUMSFYWAFBD-RDJZCZTQSA-N 2 1 348.516 1.560 20 0 EDADMP COc1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001033095053 704175864 /nfs/dbraw/zinc/17/58/64/704175864.db2.gz OMXWDUNZGCYITC-DJIMGWMZSA-N 2 1 346.475 1.463 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001033095053 704175865 /nfs/dbraw/zinc/17/58/65/704175865.db2.gz OMXWDUNZGCYITC-DJIMGWMZSA-N 2 1 346.475 1.463 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001033095053 704175866 /nfs/dbraw/zinc/17/58/66/704175866.db2.gz OMXWDUNZGCYITC-DJIMGWMZSA-N 2 1 346.475 1.463 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001033095053 704175867 /nfs/dbraw/zinc/17/58/67/704175867.db2.gz OMXWDUNZGCYITC-DJIMGWMZSA-N 2 1 346.475 1.463 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001033095053 704175868 /nfs/dbraw/zinc/17/58/68/704175868.db2.gz OMXWDUNZGCYITC-DJIMGWMZSA-N 2 1 346.475 1.463 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004382104 704361107 /nfs/dbraw/zinc/36/11/07/704361107.db2.gz SWGOZYYGQNNYME-ROUUACIJSA-N 2 1 337.508 1.676 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004382104 704361110 /nfs/dbraw/zinc/36/11/10/704361110.db2.gz SWGOZYYGQNNYME-ROUUACIJSA-N 2 1 337.508 1.676 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001004382104 704361113 /nfs/dbraw/zinc/36/11/13/704361113.db2.gz SWGOZYYGQNNYME-ROUUACIJSA-N 2 1 337.508 1.676 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001004382104 704361116 /nfs/dbraw/zinc/36/11/16/704361116.db2.gz SWGOZYYGQNNYME-ROUUACIJSA-N 2 1 337.508 1.676 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004436659 704411121 /nfs/dbraw/zinc/41/11/21/704411121.db2.gz HBIYEDVTRHYDEF-RTBURBONSA-N 2 1 349.519 1.414 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997780184 704682462 /nfs/dbraw/zinc/68/24/62/704682462.db2.gz ITXMDNQTUHGUQV-NVXWUHKLSA-N 2 1 347.463 1.272 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1 ZINC000997828179 704749096 /nfs/dbraw/zinc/74/90/96/704749096.db2.gz GJQXCZXVWRBBSM-WMZOPIPTSA-N 2 1 339.524 1.850 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997831528 704749838 /nfs/dbraw/zinc/74/98/38/704749838.db2.gz UQXXRHFBUZFUQE-SJORKVTESA-N 2 1 346.475 1.625 20 0 EDADMP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2nnc(C3CC3)o2)CC1)[NH+](C)C ZINC000997855648 704764277 /nfs/dbraw/zinc/76/42/77/704764277.db2.gz OAYSZCFULHMYKT-OAHLLOKOSA-N 2 1 349.479 1.615 20 0 EDADMP Cn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997866902 704772132 /nfs/dbraw/zinc/77/21/32/704772132.db2.gz WKRNOOFQXLWXOT-INIZCTEOSA-N 2 1 333.480 1.233 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)cn1 ZINC000944945225 704798300 /nfs/dbraw/zinc/79/83/00/704798300.db2.gz QDINOOWHADVKHS-NVXWUHKLSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(Cc2ncc(C)cn2)C[C@H]1C ZINC000944966364 704838796 /nfs/dbraw/zinc/83/87/96/704838796.db2.gz YMEKGQSQAXBUSU-ZBFHGGJFSA-N 2 1 342.447 1.317 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945092151 705061815 /nfs/dbraw/zinc/06/18/15/705061815.db2.gz PPZGVUVEDXMIPF-CRAIPNDOSA-N 2 1 333.476 1.835 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3nccn3C)CC2)C1 ZINC000998080940 705300698 /nfs/dbraw/zinc/30/06/98/705300698.db2.gz GDMZOGDKWXKMCA-OAHLLOKOSA-N 2 1 333.480 1.090 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1)c1cnccn1 ZINC000998082171 705308745 /nfs/dbraw/zinc/30/87/45/705308745.db2.gz NZCUQMHETNYCPS-JKSUJKDBSA-N 2 1 345.491 1.708 20 0 EDADMP Cc1oncc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000998083011 705310745 /nfs/dbraw/zinc/31/07/45/705310745.db2.gz SOYRFKCTIRKNLL-AWEZNQCLSA-N 2 1 334.464 1.796 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000998100506 705341926 /nfs/dbraw/zinc/34/19/26/705341926.db2.gz YTGHXWCLJHUIOU-OKZBNKHCSA-N 2 1 339.524 1.802 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH+](CCCO)CC1 ZINC000998100506 705341927 /nfs/dbraw/zinc/34/19/27/705341927.db2.gz YTGHXWCLJHUIOU-OKZBNKHCSA-N 2 1 339.524 1.802 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH+](CCCO)CC1 ZINC000998100506 705341931 /nfs/dbraw/zinc/34/19/31/705341931.db2.gz YTGHXWCLJHUIOU-OKZBNKHCSA-N 2 1 339.524 1.802 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCOCC2)CC1 ZINC001032603292 705427351 /nfs/dbraw/zinc/42/73/51/705427351.db2.gz VXJFKJCRPNEWGO-OALUTQOASA-N 2 1 349.519 1.820 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998216783 705539565 /nfs/dbraw/zinc/53/95/65/705539565.db2.gz KYYAHRROTZAZBO-OAHLLOKOSA-N 2 1 349.479 1.302 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000998216783 705539567 /nfs/dbraw/zinc/53/95/67/705539567.db2.gz KYYAHRROTZAZBO-OAHLLOKOSA-N 2 1 349.479 1.302 20 0 EDADMP Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998265350 705632467 /nfs/dbraw/zinc/63/24/67/705632467.db2.gz LRDNJALCHVNGES-MRXNPFEDSA-N 2 1 331.464 1.065 20 0 EDADMP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629598 705752565 /nfs/dbraw/zinc/75/25/65/705752565.db2.gz FNPSLSJGCYFNSW-SNRMKQJTSA-N 2 1 345.487 1.724 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@H]2CCCOC2)C1 ZINC001032629697 705754473 /nfs/dbraw/zinc/75/44/73/705754473.db2.gz JAMJENHYRKBTDK-IKGGRYGDSA-N 2 1 335.492 1.430 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CCCOC2)C1 ZINC001032629697 705754476 /nfs/dbraw/zinc/75/44/76/705754476.db2.gz JAMJENHYRKBTDK-IKGGRYGDSA-N 2 1 335.492 1.430 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CCCOC2)C1 ZINC001032629697 705754479 /nfs/dbraw/zinc/75/44/79/705754479.db2.gz JAMJENHYRKBTDK-IKGGRYGDSA-N 2 1 335.492 1.430 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000998547924 705983020 /nfs/dbraw/zinc/98/30/20/705983020.db2.gz CGVNTJMATDEGKR-JXQTWKCFSA-N 2 1 349.504 1.589 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000998547924 705983023 /nfs/dbraw/zinc/98/30/23/705983023.db2.gz CGVNTJMATDEGKR-JXQTWKCFSA-N 2 1 349.504 1.589 20 0 EDADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000998584246 706020780 /nfs/dbraw/zinc/02/07/80/706020780.db2.gz COJUVNBJTDCDTI-ABHNRTSZSA-N 2 1 331.460 1.405 20 0 EDADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000998584246 706020784 /nfs/dbraw/zinc/02/07/84/706020784.db2.gz COJUVNBJTDCDTI-ABHNRTSZSA-N 2 1 331.460 1.405 20 0 EDADMP Cc1ccc(CC[NH2+]C2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000998587532 706026918 /nfs/dbraw/zinc/02/69/18/706026918.db2.gz WARYGRCFQRRZNT-ACBHZAAOSA-N 2 1 345.487 1.447 20 0 EDADMP Cc1ccc(CC[NH2+]C2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000998587532 706026921 /nfs/dbraw/zinc/02/69/21/706026921.db2.gz WARYGRCFQRRZNT-ACBHZAAOSA-N 2 1 345.487 1.447 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)nc1 ZINC000998763230 706202223 /nfs/dbraw/zinc/20/22/23/706202223.db2.gz MOGMAVIYVMIYJP-OFLPRAFFSA-N 2 1 345.491 1.737 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nc1 ZINC000998763230 706202226 /nfs/dbraw/zinc/20/22/26/706202226.db2.gz MOGMAVIYVMIYJP-OFLPRAFFSA-N 2 1 345.491 1.737 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3cncc(F)c3)C2)CC[N@H+]1C ZINC000998798108 706245162 /nfs/dbraw/zinc/24/51/62/706245162.db2.gz YCXVPTFTCFEAGD-BOSFTKNMSA-N 2 1 334.439 1.640 20 0 EDADMP Cc1ccc(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000998825221 706271864 /nfs/dbraw/zinc/27/18/64/706271864.db2.gz MEVFDMRJICQUKH-RBUKOAKNSA-N 2 1 345.487 1.449 20 0 EDADMP Cc1ccc(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000998825221 706271866 /nfs/dbraw/zinc/27/18/66/706271866.db2.gz MEVFDMRJICQUKH-RBUKOAKNSA-N 2 1 345.487 1.449 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000998902655 706339523 /nfs/dbraw/zinc/33/95/23/706339523.db2.gz WMKNCYDPRVVEOU-LXPRWKDFSA-N 2 1 347.507 1.725 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999152213 706581127 /nfs/dbraw/zinc/58/11/27/706581127.db2.gz KAGZOMZZFVEFLS-OAHLLOKOSA-N 2 1 349.479 1.723 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC000999349757 706861867 /nfs/dbraw/zinc/86/18/67/706861867.db2.gz UNERXTHZQWPKDK-DLBZAZTESA-N 2 1 347.507 1.479 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)cn1 ZINC000999377908 706872031 /nfs/dbraw/zinc/87/20/31/706872031.db2.gz ONXKHFNSFJASTR-HZPDHXFCSA-N 2 1 345.491 1.911 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000999366821 706881052 /nfs/dbraw/zinc/88/10/52/706881052.db2.gz CSYQCFFEJGOSIQ-SJORKVTESA-N 2 1 339.443 1.936 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000999366820 706881061 /nfs/dbraw/zinc/88/10/61/706881061.db2.gz CSYQCFFEJGOSIQ-IRXDYDNUSA-N 2 1 339.443 1.936 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nc1 ZINC000999403511 706912252 /nfs/dbraw/zinc/91/22/52/706912252.db2.gz QJRKQQVZGUAODV-UHFFFAOYSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)nc1 ZINC000999403511 706912254 /nfs/dbraw/zinc/91/22/54/706912254.db2.gz QJRKQQVZGUAODV-UHFFFAOYSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000999403598 706912363 /nfs/dbraw/zinc/91/23/63/706912363.db2.gz RPKKICKDVYFCFO-UHFFFAOYSA-N 2 1 347.507 1.539 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3coc(C4CC4)n3)C2)C1 ZINC000999407691 706917803 /nfs/dbraw/zinc/91/78/03/706917803.db2.gz DXAIEGOYESJOIY-BZOOQXSSSA-N 2 1 346.475 1.973 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3coc(C4CC4)n3)C2)C1 ZINC000999407691 706917805 /nfs/dbraw/zinc/91/78/05/706917805.db2.gz DXAIEGOYESJOIY-BZOOQXSSSA-N 2 1 346.475 1.973 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999515832 707014972 /nfs/dbraw/zinc/01/49/72/707014972.db2.gz YUIJIHVOMFMDON-DOTOQJQBSA-N 2 1 331.464 1.350 20 0 EDADMP O=C(N1CCC[C@@H]([NH2+]Cc2ncccn2)C1)C12CCC[NH+](CCC1)C2 ZINC000999491466 707028220 /nfs/dbraw/zinc/02/82/20/707028220.db2.gz VFSXGAGDHLYAJB-MRXNPFEDSA-N 2 1 343.475 1.433 20 0 EDADMP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697753 707154926 /nfs/dbraw/zinc/15/49/26/707154926.db2.gz XZCUZABCQSUKMU-GDAAHCPNSA-N 2 1 349.519 1.412 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999681510 707166579 /nfs/dbraw/zinc/16/65/79/707166579.db2.gz HJTIXYGXOHRPKI-OOHWJJMZSA-N 2 1 333.480 1.149 20 0 EDADMP CC(C)n1cc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000999683001 707189699 /nfs/dbraw/zinc/18/96/99/707189699.db2.gz URKGWVCCFIFKNF-HPUBIQBYSA-N 2 1 348.495 1.280 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000999697833 707223523 /nfs/dbraw/zinc/22/35/23/707223523.db2.gz NLPSTURQUCFNOV-XGNXJENSSA-N 2 1 333.436 1.114 20 0 EDADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779625 707244544 /nfs/dbraw/zinc/24/45/44/707244544.db2.gz QWDXDXJCFOIDOY-XDNAFOTISA-N 2 1 337.508 1.676 20 0 EDADMP CO[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779625 707244545 /nfs/dbraw/zinc/24/45/45/707244545.db2.gz QWDXDXJCFOIDOY-XDNAFOTISA-N 2 1 337.508 1.676 20 0 EDADMP CO[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779625 707244551 /nfs/dbraw/zinc/24/45/51/707244551.db2.gz QWDXDXJCFOIDOY-XDNAFOTISA-N 2 1 337.508 1.676 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000999709771 707303305 /nfs/dbraw/zinc/30/33/05/707303305.db2.gz PTODEROOZVTMGH-NFOMZHRRSA-N 2 1 332.448 1.719 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]2CC1)[NH+](C)C ZINC000946784861 707315477 /nfs/dbraw/zinc/31/54/77/707315477.db2.gz XUPVVXHEMQSKQX-JZXOWHBKSA-N 2 1 347.507 1.431 20 0 EDADMP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC000999788449 707405568 /nfs/dbraw/zinc/40/55/68/707405568.db2.gz CICIYBRQFPOVBP-GOEBONIOSA-N 2 1 333.436 1.025 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2ccc(C)nc2C)C1 ZINC000999838569 707410507 /nfs/dbraw/zinc/41/05/07/707410507.db2.gz VUKCSWAJKREVLN-UHFFFAOYSA-N 2 1 341.459 1.983 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)o2)C1 ZINC000999876222 707523012 /nfs/dbraw/zinc/52/30/12/707523012.db2.gz IMERAXBLRRTHLO-VMBOVVBDSA-N 2 1 334.464 1.936 20 0 EDADMP CCn1nncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000999876237 707523354 /nfs/dbraw/zinc/52/33/54/707523354.db2.gz IYUZWPSCKIYCBK-DQPZFDDXSA-N 2 1 348.495 1.251 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)on2)C1 ZINC000999876624 707523964 /nfs/dbraw/zinc/52/39/64/707523964.db2.gz PXCMSHULZVDAFA-BDVYOWHSSA-N 2 1 334.464 1.936 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)on2)C1 ZINC000999876624 707523969 /nfs/dbraw/zinc/52/39/69/707523969.db2.gz PXCMSHULZVDAFA-BDVYOWHSSA-N 2 1 334.464 1.936 20 0 EDADMP CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)CC[C@@H]2C1 ZINC000946815833 707566195 /nfs/dbraw/zinc/56/61/95/707566195.db2.gz QTDARQPXKWCAMN-CALCHBBNSA-N 2 1 347.507 1.639 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033366565 707663042 /nfs/dbraw/zinc/66/30/42/707663042.db2.gz STPIDCICXDOYQQ-INIZCTEOSA-N 2 1 345.447 1.384 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033366565 707663046 /nfs/dbraw/zinc/66/30/46/707663046.db2.gz STPIDCICXDOYQQ-INIZCTEOSA-N 2 1 345.447 1.384 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCOC3CCC3)C2)CC[N@H+]1C ZINC001033357895 707677310 /nfs/dbraw/zinc/67/73/10/707677310.db2.gz DANRWVJTQAUPDS-ULQDDVLXSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCOC3CCC3)C2)CC[NH+]1C ZINC001033357895 707677313 /nfs/dbraw/zinc/67/73/13/707677313.db2.gz DANRWVJTQAUPDS-ULQDDVLXSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCOC3CCC3)C2)CC[NH+]1C ZINC001033357895 707677317 /nfs/dbraw/zinc/67/73/17/707677317.db2.gz DANRWVJTQAUPDS-ULQDDVLXSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@H]([NH2+]Cc1ncnn1C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004930368 707678263 /nfs/dbraw/zinc/67/82/63/707678263.db2.gz TVEOIIUSCYMQFF-HOCLYGCPSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001033358952 707683541 /nfs/dbraw/zinc/68/35/41/707683541.db2.gz RUDYNZRNJOWZIC-RYQLBKOJSA-N 2 1 347.507 1.226 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCc3cnn(C)c3)C2)CC[NH+]1C ZINC001033358952 707683545 /nfs/dbraw/zinc/68/35/45/707683545.db2.gz RUDYNZRNJOWZIC-RYQLBKOJSA-N 2 1 347.507 1.226 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCc3cnn(C)c3)C2)CC[NH+]1C ZINC001033358952 707683549 /nfs/dbraw/zinc/68/35/49/707683549.db2.gz RUDYNZRNJOWZIC-RYQLBKOJSA-N 2 1 347.507 1.226 20 0 EDADMP CN(C)C(=O)c1cccc(CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000921691382 707750300 /nfs/dbraw/zinc/75/03/00/707750300.db2.gz VRBIHAADZWAZBS-KRWDZBQOSA-N 2 1 346.475 1.065 20 0 EDADMP CN(C)C(=O)c1cccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000921691382 707750303 /nfs/dbraw/zinc/75/03/03/707750303.db2.gz VRBIHAADZWAZBS-KRWDZBQOSA-N 2 1 346.475 1.065 20 0 EDADMP CN(C)C(=O)c1cccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000921691382 707750306 /nfs/dbraw/zinc/75/03/06/707750306.db2.gz VRBIHAADZWAZBS-KRWDZBQOSA-N 2 1 346.475 1.065 20 0 EDADMP CCn1ccnc1CN[C@H](C)[C@@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001005010408 707928243 /nfs/dbraw/zinc/92/82/43/707928243.db2.gz PYXWOIJPEDDKBL-CVEARBPZSA-N 2 1 344.463 1.659 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCOc2ccc(F)cc2)C1 ZINC001032780991 707965987 /nfs/dbraw/zinc/96/59/87/707965987.db2.gz GIJBRHJPJRLBJG-PVAVHDDUSA-N 2 1 347.434 1.441 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccc(F)cc2)C1 ZINC001032780991 707965990 /nfs/dbraw/zinc/96/59/90/707965990.db2.gz GIJBRHJPJRLBJG-PVAVHDDUSA-N 2 1 347.434 1.441 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccc(F)cc2)C1 ZINC001032780991 707965993 /nfs/dbraw/zinc/96/59/93/707965993.db2.gz GIJBRHJPJRLBJG-PVAVHDDUSA-N 2 1 347.434 1.441 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOc2ccc(F)cc2)C1 ZINC001032780991 707965997 /nfs/dbraw/zinc/96/59/97/707965997.db2.gz GIJBRHJPJRLBJG-PVAVHDDUSA-N 2 1 347.434 1.441 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOc2ccc(F)cc2)C1 ZINC001032780991 707965999 /nfs/dbraw/zinc/96/59/99/707965999.db2.gz GIJBRHJPJRLBJG-PVAVHDDUSA-N 2 1 347.434 1.441 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCOc2ccccc2)C1 ZINC001032781512 707968749 /nfs/dbraw/zinc/96/87/49/707968749.db2.gz YBROFGOULIEYSU-IKGGRYGDSA-N 2 1 329.444 1.302 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccccc2)C1 ZINC001032781512 707968750 /nfs/dbraw/zinc/96/87/50/707968750.db2.gz YBROFGOULIEYSU-IKGGRYGDSA-N 2 1 329.444 1.302 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccccc2)C1 ZINC001032781512 707968753 /nfs/dbraw/zinc/96/87/53/707968753.db2.gz YBROFGOULIEYSU-IKGGRYGDSA-N 2 1 329.444 1.302 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOc2ccccc2)C1 ZINC001032781512 707968756 /nfs/dbraw/zinc/96/87/56/707968756.db2.gz YBROFGOULIEYSU-IKGGRYGDSA-N 2 1 329.444 1.302 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOc2ccccc2)C1 ZINC001032781512 707968759 /nfs/dbraw/zinc/96/87/59/707968759.db2.gz YBROFGOULIEYSU-IKGGRYGDSA-N 2 1 329.444 1.302 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccccc2F)C1 ZINC001032781318 707970348 /nfs/dbraw/zinc/97/03/48/707970348.db2.gz QNOXMAZYRWVFTQ-IKGGRYGDSA-N 2 1 331.435 1.605 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccccc2F)C1 ZINC001032781318 707970353 /nfs/dbraw/zinc/97/03/53/707970353.db2.gz QNOXMAZYRWVFTQ-IKGGRYGDSA-N 2 1 331.435 1.605 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccccc2F)C1 ZINC001032781318 707970354 /nfs/dbraw/zinc/97/03/54/707970354.db2.gz QNOXMAZYRWVFTQ-IKGGRYGDSA-N 2 1 331.435 1.605 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccccc2F)C1 ZINC001032781318 707970358 /nfs/dbraw/zinc/97/03/58/707970358.db2.gz QNOXMAZYRWVFTQ-IKGGRYGDSA-N 2 1 331.435 1.605 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2=CCCCC2)C1 ZINC001032793175 708052252 /nfs/dbraw/zinc/05/22/52/708052252.db2.gz WNGLICYRWBEJIX-FHWLQOOXSA-N 2 1 347.503 1.883 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2=CCCCC2)C1 ZINC001032793175 708052254 /nfs/dbraw/zinc/05/22/54/708052254.db2.gz WNGLICYRWBEJIX-FHWLQOOXSA-N 2 1 347.503 1.883 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2=CCCCC2)C1 ZINC001032793175 708052256 /nfs/dbraw/zinc/05/22/56/708052256.db2.gz WNGLICYRWBEJIX-FHWLQOOXSA-N 2 1 347.503 1.883 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2=CCCCC2)C1 ZINC001032793175 708052258 /nfs/dbraw/zinc/05/22/58/708052258.db2.gz WNGLICYRWBEJIX-FHWLQOOXSA-N 2 1 347.503 1.883 20 0 EDADMP COCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001000920160 708076654 /nfs/dbraw/zinc/07/66/54/708076654.db2.gz SHDWBHYNTDGBKJ-RTBURBONSA-N 2 1 345.487 1.865 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033546853 708176020 /nfs/dbraw/zinc/17/60/20/708176020.db2.gz GZLMRBIMTALYNS-DOTOQJQBSA-N 2 1 325.497 1.674 20 0 EDADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033580719 708261531 /nfs/dbraw/zinc/26/15/31/708261531.db2.gz HOCYETIPLQGDQY-RBUKOAKNSA-N 2 1 345.487 1.553 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033580719 708261535 /nfs/dbraw/zinc/26/15/35/708261535.db2.gz HOCYETIPLQGDQY-RBUKOAKNSA-N 2 1 345.487 1.553 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033580719 708261536 /nfs/dbraw/zinc/26/15/36/708261536.db2.gz HOCYETIPLQGDQY-RBUKOAKNSA-N 2 1 345.487 1.553 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033580653 708261876 /nfs/dbraw/zinc/26/18/76/708261876.db2.gz GJLRMYCDVYMCRT-HOCLYGCPSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033580653 708261877 /nfs/dbraw/zinc/26/18/77/708261877.db2.gz GJLRMYCDVYMCRT-HOCLYGCPSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033580653 708261879 /nfs/dbraw/zinc/26/18/79/708261879.db2.gz GJLRMYCDVYMCRT-HOCLYGCPSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033580653 708261881 /nfs/dbraw/zinc/26/18/81/708261881.db2.gz GJLRMYCDVYMCRT-HOCLYGCPSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1onc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033595302 708298368 /nfs/dbraw/zinc/29/83/68/708298368.db2.gz RTUMYDKGSXGMBI-CVEARBPZSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033595302 708298371 /nfs/dbraw/zinc/29/83/71/708298371.db2.gz RTUMYDKGSXGMBI-CVEARBPZSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033595302 708298374 /nfs/dbraw/zinc/29/83/74/708298374.db2.gz RTUMYDKGSXGMBI-CVEARBPZSA-N 2 1 348.491 1.920 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cc1C ZINC001033663472 708443649 /nfs/dbraw/zinc/44/36/49/708443649.db2.gz VYKCEBHHGHXKJR-QZTJIDSGSA-N 2 1 345.487 1.988 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1C ZINC001033663472 708443652 /nfs/dbraw/zinc/44/36/52/708443652.db2.gz VYKCEBHHGHXKJR-QZTJIDSGSA-N 2 1 345.487 1.988 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001033663472 708443655 /nfs/dbraw/zinc/44/36/55/708443655.db2.gz VYKCEBHHGHXKJR-QZTJIDSGSA-N 2 1 345.487 1.988 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cc1F ZINC001033663774 708444775 /nfs/dbraw/zinc/44/47/75/708444775.db2.gz YWWFIPFVKBHENH-CVEARBPZSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cc1F ZINC001033663774 708444778 /nfs/dbraw/zinc/44/47/78/708444778.db2.gz YWWFIPFVKBHENH-CVEARBPZSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1F ZINC001033663774 708444779 /nfs/dbraw/zinc/44/47/79/708444779.db2.gz YWWFIPFVKBHENH-CVEARBPZSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001033663774 708444782 /nfs/dbraw/zinc/44/47/82/708444782.db2.gz YWWFIPFVKBHENH-CVEARBPZSA-N 2 1 349.450 1.819 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033665611 708449152 /nfs/dbraw/zinc/44/91/52/708449152.db2.gz QBPITENMTQSVCP-ZBFHGGJFSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033665611 708449154 /nfs/dbraw/zinc/44/91/54/708449154.db2.gz QBPITENMTQSVCP-ZBFHGGJFSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001033665611 708449156 /nfs/dbraw/zinc/44/91/56/708449156.db2.gz QBPITENMTQSVCP-ZBFHGGJFSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033665611 708449159 /nfs/dbraw/zinc/44/91/59/708449159.db2.gz QBPITENMTQSVCP-ZBFHGGJFSA-N 2 1 332.448 1.075 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCOc2ccccc2F)C1 ZINC001033659180 708470207 /nfs/dbraw/zinc/47/02/07/708470207.db2.gz BTVRPNAEZLZDSN-JKSUJKDBSA-N 2 1 349.450 1.689 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC001033659180 708470210 /nfs/dbraw/zinc/47/02/10/708470210.db2.gz BTVRPNAEZLZDSN-JKSUJKDBSA-N 2 1 349.450 1.689 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC001033659180 708470212 /nfs/dbraw/zinc/47/02/12/708470212.db2.gz BTVRPNAEZLZDSN-JKSUJKDBSA-N 2 1 349.450 1.689 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC[C@@H](C)F)CC2)C1 ZINC001002137888 708655081 /nfs/dbraw/zinc/65/50/81/708655081.db2.gz DPQCJOSGUPXHLW-ZBFHGGJFSA-N 2 1 329.460 1.283 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC[C@@H](C)F)CC2)C1 ZINC001002137888 708655082 /nfs/dbraw/zinc/65/50/82/708655082.db2.gz DPQCJOSGUPXHLW-ZBFHGGJFSA-N 2 1 329.460 1.283 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccnn2C)CC1 ZINC001002154975 708669697 /nfs/dbraw/zinc/66/96/97/708669697.db2.gz DCMXGHLMUAWIRQ-GOSISDBHSA-N 2 1 347.507 1.623 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](C/C=C\Cl)CC2)C1 ZINC001002138764 708675851 /nfs/dbraw/zinc/67/58/51/708675851.db2.gz MWOXQXCTXQUQKK-BYPUDFOVSA-N 2 1 329.872 1.288 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](C/C=C\Cl)CC2)C1 ZINC001002138764 708675853 /nfs/dbraw/zinc/67/58/53/708675853.db2.gz MWOXQXCTXQUQKK-BYPUDFOVSA-N 2 1 329.872 1.288 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC001033778256 708706381 /nfs/dbraw/zinc/70/63/81/708706381.db2.gz ZAMWHQQMSSNTOR-QZTJIDSGSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cccnc2C)C1 ZINC001033778256 708706383 /nfs/dbraw/zinc/70/63/83/708706383.db2.gz ZAMWHQQMSSNTOR-QZTJIDSGSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cccnc2C)C1 ZINC001033778256 708706385 /nfs/dbraw/zinc/70/63/85/708706385.db2.gz ZAMWHQQMSSNTOR-QZTJIDSGSA-N 2 1 330.476 1.907 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)C1=CC[NH+](C)CC1 ZINC000921878009 708774480 /nfs/dbraw/zinc/77/44/80/708774480.db2.gz JNLLHNMNSPIVRN-YOEHRIQHSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000921878009 708774482 /nfs/dbraw/zinc/77/44/82/708774482.db2.gz JNLLHNMNSPIVRN-YOEHRIQHSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000921878009 708774484 /nfs/dbraw/zinc/77/44/84/708774484.db2.gz JNLLHNMNSPIVRN-YOEHRIQHSA-N 2 1 336.480 1.189 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033829594 708850219 /nfs/dbraw/zinc/85/02/19/708850219.db2.gz YDFYKHKTPFSJSA-QZTJIDSGSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033829594 708850222 /nfs/dbraw/zinc/85/02/22/708850222.db2.gz YDFYKHKTPFSJSA-QZTJIDSGSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033829594 708850225 /nfs/dbraw/zinc/85/02/25/708850225.db2.gz YDFYKHKTPFSJSA-QZTJIDSGSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033829594 708850228 /nfs/dbraw/zinc/85/02/28/708850228.db2.gz YDFYKHKTPFSJSA-QZTJIDSGSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033830629 708852849 /nfs/dbraw/zinc/85/28/49/708852849.db2.gz LPGRNMTXZLBQSY-ZWKOTPCHSA-N 2 1 345.491 1.185 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033830629 708852852 /nfs/dbraw/zinc/85/28/52/708852852.db2.gz LPGRNMTXZLBQSY-ZWKOTPCHSA-N 2 1 345.491 1.185 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001002477363 708998917 /nfs/dbraw/zinc/99/89/17/708998917.db2.gz ZDGLEPPCPUCISK-PBHICJAKSA-N 2 1 331.464 1.521 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC001002477363 708998918 /nfs/dbraw/zinc/99/89/18/708998918.db2.gz ZDGLEPPCPUCISK-PBHICJAKSA-N 2 1 331.464 1.521 20 0 EDADMP CO[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CCCC1 ZINC001002472642 709006325 /nfs/dbraw/zinc/00/63/25/709006325.db2.gz CKMBEGFROQOMCG-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033932066 709099314 /nfs/dbraw/zinc/09/93/14/709099314.db2.gz GDPDANQEXPIQPK-ZWKOTPCHSA-N 2 1 337.508 1.985 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033932066 709099316 /nfs/dbraw/zinc/09/93/16/709099316.db2.gz GDPDANQEXPIQPK-ZWKOTPCHSA-N 2 1 337.508 1.985 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001033932066 709099318 /nfs/dbraw/zinc/09/93/18/709099318.db2.gz GDPDANQEXPIQPK-ZWKOTPCHSA-N 2 1 337.508 1.985 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001033932066 709099321 /nfs/dbraw/zinc/09/93/21/709099321.db2.gz GDPDANQEXPIQPK-ZWKOTPCHSA-N 2 1 337.508 1.985 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033932858 709112251 /nfs/dbraw/zinc/11/22/51/709112251.db2.gz UFUQKTHTZGCTBF-DLBZAZTESA-N 2 1 325.497 1.674 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033932858 709112252 /nfs/dbraw/zinc/11/22/52/709112252.db2.gz UFUQKTHTZGCTBF-DLBZAZTESA-N 2 1 325.497 1.674 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033932858 709112253 /nfs/dbraw/zinc/11/22/53/709112253.db2.gz UFUQKTHTZGCTBF-DLBZAZTESA-N 2 1 325.497 1.674 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033932858 709112254 /nfs/dbraw/zinc/11/22/54/709112254.db2.gz UFUQKTHTZGCTBF-DLBZAZTESA-N 2 1 325.497 1.674 20 0 EDADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001034004275 709243602 /nfs/dbraw/zinc/24/36/02/709243602.db2.gz KZOZXWJIJBPHHF-KRWDZBQOSA-N 2 1 325.497 1.676 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001005498582 709259117 /nfs/dbraw/zinc/25/91/17/709259117.db2.gz WCEVACCRQUJENX-ZBFHGGJFSA-N 2 1 334.464 1.718 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001034040164 709273541 /nfs/dbraw/zinc/27/35/41/709273541.db2.gz PRVOPFLPURFMKR-QZTJIDSGSA-N 2 1 337.508 1.678 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001034040164 709273543 /nfs/dbraw/zinc/27/35/43/709273543.db2.gz PRVOPFLPURFMKR-QZTJIDSGSA-N 2 1 337.508 1.678 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001034040164 709273546 /nfs/dbraw/zinc/27/35/46/709273546.db2.gz PRVOPFLPURFMKR-QZTJIDSGSA-N 2 1 337.508 1.678 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(OC)nc2)C1 ZINC001034042825 709293586 /nfs/dbraw/zinc/29/35/86/709293586.db2.gz QEXXBJJKDCGBSV-SJORKVTESA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(OC)nc2)C1 ZINC001034042825 709293590 /nfs/dbraw/zinc/29/35/90/709293590.db2.gz QEXXBJJKDCGBSV-SJORKVTESA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(OC)nc2)C1 ZINC001034042825 709293593 /nfs/dbraw/zinc/29/35/93/709293593.db2.gz QEXXBJJKDCGBSV-SJORKVTESA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(OC)nc2)C1 ZINC001034042825 709293596 /nfs/dbraw/zinc/29/35/96/709293596.db2.gz QEXXBJJKDCGBSV-SJORKVTESA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001034044875 709296821 /nfs/dbraw/zinc/29/68/21/709296821.db2.gz FLPIYEWKIHBYRR-GOSISDBHSA-N 2 1 333.476 1.931 20 0 EDADMP COc1cncc(CN2CCCC[C@@H](NC(=O)[C@H]3CCCN3C)C2)n1 ZINC001034130251 709399391 /nfs/dbraw/zinc/39/93/91/709399391.db2.gz HFNWUYUIUGGUHW-GDBMZVCRSA-N 2 1 347.463 1.050 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccc(CO)cc2)C1 ZINC001034132717 709403186 /nfs/dbraw/zinc/40/31/86/709403186.db2.gz UQEVYKGTMCZXBI-OALUTQOASA-N 2 1 345.487 1.744 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001034132717 709403188 /nfs/dbraw/zinc/40/31/88/709403188.db2.gz UQEVYKGTMCZXBI-OALUTQOASA-N 2 1 345.487 1.744 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001034132717 709403189 /nfs/dbraw/zinc/40/31/89/709403189.db2.gz UQEVYKGTMCZXBI-OALUTQOASA-N 2 1 345.487 1.744 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3conc3C)CC2)CC[N@@H+]1C ZINC001002858923 709466818 /nfs/dbraw/zinc/46/68/18/709466818.db2.gz JEFLKDOBHOIDQG-DLBZAZTESA-N 2 1 334.464 1.794 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3conc3C)CC2)CC[N@H+]1C ZINC001002858923 709466819 /nfs/dbraw/zinc/46/68/19/709466819.db2.gz JEFLKDOBHOIDQG-DLBZAZTESA-N 2 1 334.464 1.794 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCCC[N@@H+](CCCF)C2)n1 ZINC001034210520 709561125 /nfs/dbraw/zinc/56/11/25/709561125.db2.gz PRWJLQGTOGWSIF-OAHLLOKOSA-N 2 1 339.459 1.389 20 0 EDADMP CCc1cc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC001061214297 709739166 /nfs/dbraw/zinc/73/91/66/709739166.db2.gz NMLPXDZVMLBQDE-NVXWUHKLSA-N 2 1 345.491 1.726 20 0 EDADMP CCc1cc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC001061214297 709739168 /nfs/dbraw/zinc/73/91/68/709739168.db2.gz NMLPXDZVMLBQDE-NVXWUHKLSA-N 2 1 345.491 1.726 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001002996053 709744489 /nfs/dbraw/zinc/74/44/89/709744489.db2.gz VEHMYNKNOLRKEW-JKSUJKDBSA-N 2 1 325.497 1.580 20 0 EDADMP O=C(NC1CC[NH+](CCCF)CC1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001003009641 709795544 /nfs/dbraw/zinc/79/55/44/709795544.db2.gz YSURWOSJDYGQLZ-QGZVFWFLSA-N 2 1 341.471 1.570 20 0 EDADMP CC[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1)OC ZINC001003015838 709802645 /nfs/dbraw/zinc/80/26/45/709802645.db2.gz FCBARFMHNPKZBU-CVEARBPZSA-N 2 1 334.464 1.766 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cnnn3C)C2)CC[N@@H+]1C ZINC001034360973 709874155 /nfs/dbraw/zinc/87/41/55/709874155.db2.gz AHZWFSAUTZOIFZ-JYJNAYRXSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cnnn3C)C2)CC[N@H+]1C ZINC001034360973 709874161 /nfs/dbraw/zinc/87/41/61/709874161.db2.gz AHZWFSAUTZOIFZ-JYJNAYRXSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cnnn3C)C2)CC[NH+]1C ZINC001034360973 709874167 /nfs/dbraw/zinc/87/41/67/709874167.db2.gz AHZWFSAUTZOIFZ-JYJNAYRXSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cnnn3C)C2)CC[NH+]1C ZINC001034360973 709874173 /nfs/dbraw/zinc/87/41/73/709874173.db2.gz AHZWFSAUTZOIFZ-JYJNAYRXSA-N 2 1 348.495 1.016 20 0 EDADMP CO[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034363654 709881561 /nfs/dbraw/zinc/88/15/61/709881561.db2.gz CYDSJKJREXHWLA-ZBFHGGJFSA-N 2 1 337.464 1.960 20 0 EDADMP CO[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034363654 709881566 /nfs/dbraw/zinc/88/15/66/709881566.db2.gz CYDSJKJREXHWLA-ZBFHGGJFSA-N 2 1 337.464 1.960 20 0 EDADMP Cn1cc(CC[N@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001034378285 709899496 /nfs/dbraw/zinc/89/94/96/709899496.db2.gz QWSAHJQPRJNSMT-GOSISDBHSA-N 2 1 347.507 1.275 20 0 EDADMP CCn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034387209 709916127 /nfs/dbraw/zinc/91/61/27/709916127.db2.gz WYAGLDULBOYDGE-MRXNPFEDSA-N 2 1 348.495 1.111 20 0 EDADMP CCn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034387209 709916129 /nfs/dbraw/zinc/91/61/29/709916129.db2.gz WYAGLDULBOYDGE-MRXNPFEDSA-N 2 1 348.495 1.111 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CCc3ccnn3C)C2)C1 ZINC001034393886 709929096 /nfs/dbraw/zinc/92/90/96/709929096.db2.gz HHWNUAPCVVHEMU-IRXDYDNUSA-N 2 1 347.507 1.275 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCc3ccnn3C)C2)C1 ZINC001034393886 709929098 /nfs/dbraw/zinc/92/90/98/709929098.db2.gz HHWNUAPCVVHEMU-IRXDYDNUSA-N 2 1 347.507 1.275 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCc3ccnn3C)C2)C1 ZINC001034393886 709929101 /nfs/dbraw/zinc/92/91/01/709929101.db2.gz HHWNUAPCVVHEMU-IRXDYDNUSA-N 2 1 347.507 1.275 20 0 EDADMP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001003070394 709935279 /nfs/dbraw/zinc/93/52/79/709935279.db2.gz KXYOHZITYQHNJN-NUEKZKHPSA-N 2 1 332.448 1.520 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1)[NH+]1CCCCCC1 ZINC001034439639 710015980 /nfs/dbraw/zinc/01/59/80/710015980.db2.gz WJCMYLSJNNGFQG-SJORKVTESA-N 2 1 325.497 1.604 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034491470 710111529 /nfs/dbraw/zinc/11/15/29/710111529.db2.gz SNSVKBKWYJKYFX-INIZCTEOSA-N 2 1 343.475 1.352 20 0 EDADMP Cc1nccnc1C[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034491470 710111531 /nfs/dbraw/zinc/11/15/31/710111531.db2.gz SNSVKBKWYJKYFX-INIZCTEOSA-N 2 1 343.475 1.352 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3ccns3)C2)C1 ZINC001034491830 710113304 /nfs/dbraw/zinc/11/33/04/710113304.db2.gz YBMXZFCWGRCICT-LSDHHAIUSA-N 2 1 336.505 1.956 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3ccns3)C2)C1 ZINC001034491830 710113307 /nfs/dbraw/zinc/11/33/07/710113307.db2.gz YBMXZFCWGRCICT-LSDHHAIUSA-N 2 1 336.505 1.956 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@H+](Cc3ccns3)C2)C1 ZINC001034491830 710113308 /nfs/dbraw/zinc/11/33/08/710113308.db2.gz YBMXZFCWGRCICT-LSDHHAIUSA-N 2 1 336.505 1.956 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3ccns3)C2)C1 ZINC001034491830 710113311 /nfs/dbraw/zinc/11/33/11/710113311.db2.gz YBMXZFCWGRCICT-LSDHHAIUSA-N 2 1 336.505 1.956 20 0 EDADMP CCc1onc(C)c1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034526187 710177644 /nfs/dbraw/zinc/17/76/44/710177644.db2.gz VNWQPCORRRAIQJ-HZPDHXFCSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1onc(C)c1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034526187 710177646 /nfs/dbraw/zinc/17/76/46/710177646.db2.gz VNWQPCORRRAIQJ-HZPDHXFCSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1onc(C)c1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526187 710177648 /nfs/dbraw/zinc/17/76/48/710177648.db2.gz VNWQPCORRRAIQJ-HZPDHXFCSA-N 2 1 348.491 1.968 20 0 EDADMP CCOC1CC(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001034530340 710187251 /nfs/dbraw/zinc/18/72/51/710187251.db2.gz VVPNWVUDQLVEPA-ADKAHSJRSA-N 2 1 348.491 1.977 20 0 EDADMP CCOC1CC(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001034530340 710187253 /nfs/dbraw/zinc/18/72/53/710187253.db2.gz VVPNWVUDQLVEPA-ADKAHSJRSA-N 2 1 348.491 1.977 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034538132 710210835 /nfs/dbraw/zinc/21/08/35/710210835.db2.gz JCLNDEMYGQVTQD-ROUUACIJSA-N 2 1 347.507 1.765 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034538132 710210837 /nfs/dbraw/zinc/21/08/37/710210837.db2.gz JCLNDEMYGQVTQD-ROUUACIJSA-N 2 1 347.507 1.765 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cnn(C)c2)C1 ZINC001034538132 710210839 /nfs/dbraw/zinc/21/08/39/710210839.db2.gz JCLNDEMYGQVTQD-ROUUACIJSA-N 2 1 347.507 1.765 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001034538132 710210842 /nfs/dbraw/zinc/21/08/42/710210842.db2.gz JCLNDEMYGQVTQD-ROUUACIJSA-N 2 1 347.507 1.765 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001034612173 710287027 /nfs/dbraw/zinc/28/70/27/710287027.db2.gz PXFJHPKRNLLXAT-IHRRRGAJSA-N 2 1 335.452 1.243 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001034612173 710287030 /nfs/dbraw/zinc/28/70/30/710287030.db2.gz PXFJHPKRNLLXAT-IHRRRGAJSA-N 2 1 335.452 1.243 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCCCO3)CC2)CC[N@H+]1C ZINC001034647505 710323993 /nfs/dbraw/zinc/32/39/93/710323993.db2.gz JIAQATOLVVXZML-DUQPFJRNSA-N 2 1 337.508 1.913 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034649204 710325886 /nfs/dbraw/zinc/32/58/86/710325886.db2.gz SINSWNFMPBXAFY-IIAWOOMASA-N 2 1 349.504 1.397 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)cn1 ZINC001003628568 710458635 /nfs/dbraw/zinc/45/86/35/710458635.db2.gz RLFWJVNRYNUALE-CQSZACIVSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)cn1 ZINC001003628568 710458636 /nfs/dbraw/zinc/45/86/36/710458636.db2.gz RLFWJVNRYNUALE-CQSZACIVSA-N 2 1 331.464 1.350 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC001003629938 710459637 /nfs/dbraw/zinc/45/96/37/710459637.db2.gz GXTVEJQSLBUHEN-KBXCAEBGSA-N 2 1 346.475 1.369 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC001003629938 710459638 /nfs/dbraw/zinc/45/96/38/710459638.db2.gz GXTVEJQSLBUHEN-KBXCAEBGSA-N 2 1 346.475 1.369 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001003776502 710545655 /nfs/dbraw/zinc/54/56/55/710545655.db2.gz UIVXPTHQIDCMNY-AEFFLSMTSA-N 2 1 345.491 1.518 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001003776502 710545658 /nfs/dbraw/zinc/54/56/58/710545658.db2.gz UIVXPTHQIDCMNY-AEFFLSMTSA-N 2 1 345.491 1.518 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccn2C)CC1 ZINC001034658774 710587596 /nfs/dbraw/zinc/58/75/96/710587596.db2.gz FSHBCJJNSJEIRK-BRWVUGGUSA-N 2 1 347.507 1.812 20 0 EDADMP C[C@@H](F)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005585369 710630710 /nfs/dbraw/zinc/63/07/10/710630710.db2.gz SKJJJIJGKXFLTF-IIAWOOMASA-N 2 1 329.460 1.376 20 0 EDADMP C[C@@H](F)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005585369 710630718 /nfs/dbraw/zinc/63/07/18/710630718.db2.gz SKJJJIJGKXFLTF-IIAWOOMASA-N 2 1 329.460 1.376 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)CC1 ZINC001034693375 710784433 /nfs/dbraw/zinc/78/44/33/710784433.db2.gz XKJUZRLDRMHZBP-WKILWMFISA-N 2 1 344.463 1.185 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)nc1 ZINC001034733351 710913661 /nfs/dbraw/zinc/91/36/61/710913661.db2.gz AOVGCDDFQXJIGW-XIRDDKMYSA-N 2 1 345.491 1.644 20 0 EDADMP COCc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032969392 711047910 /nfs/dbraw/zinc/04/79/10/711047910.db2.gz WKIHRVBEJKZZDT-RBUKOAKNSA-N 2 1 345.487 1.960 20 0 EDADMP COCc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001032969392 711047912 /nfs/dbraw/zinc/04/79/12/711047912.db2.gz WKIHRVBEJKZZDT-RBUKOAKNSA-N 2 1 345.487 1.960 20 0 EDADMP COCc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001032969392 711047917 /nfs/dbraw/zinc/04/79/17/711047917.db2.gz WKIHRVBEJKZZDT-RBUKOAKNSA-N 2 1 345.487 1.960 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001034775723 711050371 /nfs/dbraw/zinc/05/03/71/711050371.db2.gz HITGGEWECJALMZ-DJIMGWMZSA-N 2 1 334.464 1.842 20 0 EDADMP Cc1nc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC001034776070 711050875 /nfs/dbraw/zinc/05/08/75/711050875.db2.gz OZTFFNVDCLTHBX-DTZQCDIJSA-N 2 1 349.479 1.798 20 0 EDADMP Cc1nc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001034776070 711050879 /nfs/dbraw/zinc/05/08/79/711050879.db2.gz OZTFFNVDCLTHBX-DTZQCDIJSA-N 2 1 349.479 1.798 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034790913 711103630 /nfs/dbraw/zinc/10/36/30/711103630.db2.gz BAOQSTPYHHCQER-BZUAXINKSA-N 2 1 346.475 1.559 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC001034790909 711103732 /nfs/dbraw/zinc/10/37/32/711103732.db2.gz AUPSSEGIHILQAI-MGPQQGTHSA-N 2 1 337.493 1.315 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001003977911 711152064 /nfs/dbraw/zinc/15/20/64/711152064.db2.gz ZLOXIPQZAJKNRG-HNNXBMFYSA-N 2 1 334.464 1.714 20 0 EDADMP Cn1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2)cn1 ZINC001034812540 711182873 /nfs/dbraw/zinc/18/28/73/711182873.db2.gz NESYERIBPSLKKQ-SFHVURJKSA-N 2 1 341.459 1.420 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nccn1C(F)F ZINC001034881917 711282545 /nfs/dbraw/zinc/28/25/45/711282545.db2.gz PNAMYFJPJCJTLA-CHWSQXEVSA-N 2 1 341.406 1.453 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001034958181 711431030 /nfs/dbraw/zinc/43/10/30/711431030.db2.gz CSBQNSPBUDDAKA-JKSUJKDBSA-N 2 1 348.495 1.159 20 0 EDADMP Cc1nocc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001034958228 711431640 /nfs/dbraw/zinc/43/16/40/711431640.db2.gz DVYCPXTVYSOPBJ-HZPDHXFCSA-N 2 1 343.431 1.838 20 0 EDADMP CCn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)n1 ZINC001034936666 711436536 /nfs/dbraw/zinc/43/65/36/711436536.db2.gz UWVUULBEDZFFGL-MSOLQXFVSA-N 2 1 347.507 1.856 20 0 EDADMP Cc1oncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001034937048 711437363 /nfs/dbraw/zinc/43/73/63/711437363.db2.gz ZXSDUHHCJHCHOK-SJORKVTESA-N 2 1 334.464 1.936 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)s1 ZINC001034940331 711443428 /nfs/dbraw/zinc/44/34/28/711443428.db2.gz BJYNAXJQISNGSO-CABCVRRESA-N 2 1 349.504 1.269 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cc(F)ccc3F)CC2)C1 ZINC001004146634 711557367 /nfs/dbraw/zinc/55/73/67/711557367.db2.gz ZCUBGHDGGCEEHS-CYBMUJFWSA-N 2 1 337.414 1.997 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cc(F)ccc3F)CC2)C1 ZINC001004146634 711557369 /nfs/dbraw/zinc/55/73/69/711557369.db2.gz ZCUBGHDGGCEEHS-CYBMUJFWSA-N 2 1 337.414 1.997 20 0 EDADMP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCOC)CC1)[NH+](C)C ZINC001004476092 711855837 /nfs/dbraw/zinc/85/58/37/711855837.db2.gz XFOWGWWNHRQUKC-SJORKVTESA-N 2 1 325.497 1.676 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004546063 711956977 /nfs/dbraw/zinc/95/69/77/711956977.db2.gz FWSNAXANPNDHHI-FUHWJXTLSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001004546063 711956981 /nfs/dbraw/zinc/95/69/81/711956981.db2.gz FWSNAXANPNDHHI-FUHWJXTLSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001004546063 711956984 /nfs/dbraw/zinc/95/69/84/711956984.db2.gz FWSNAXANPNDHHI-FUHWJXTLSA-N 2 1 337.508 1.820 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([C@H]3CCC[NH+]3CCCO)CC2)C1 ZINC001004597579 712040073 /nfs/dbraw/zinc/04/00/73/712040073.db2.gz SGROAUSAVIDMKP-SJLPKXTDSA-N 2 1 337.508 1.414 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N2CCC([C@H]3CCC[N@@H+]3CCCO)CC2)C1 ZINC001004597579 712040075 /nfs/dbraw/zinc/04/00/75/712040075.db2.gz SGROAUSAVIDMKP-SJLPKXTDSA-N 2 1 337.508 1.414 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N2CCC([C@H]3CCC[N@H+]3CCCO)CC2)C1 ZINC001004597579 712040078 /nfs/dbraw/zinc/04/00/78/712040078.db2.gz SGROAUSAVIDMKP-SJLPKXTDSA-N 2 1 337.508 1.414 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]2CC1)[NH+](C)C ZINC000946642998 712129935 /nfs/dbraw/zinc/12/99/35/712129935.db2.gz YSTNKAQOQQIPFB-SOLBZPMBSA-N 2 1 348.491 1.994 20 0 EDADMP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033163515 712266042 /nfs/dbraw/zinc/26/60/42/712266042.db2.gz MGQATYZVQSOMSI-ARFHVFGLSA-N 2 1 332.448 1.473 20 0 EDADMP CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033163515 712266046 /nfs/dbraw/zinc/26/60/46/712266046.db2.gz MGQATYZVQSOMSI-ARFHVFGLSA-N 2 1 332.448 1.473 20 0 EDADMP CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033163515 712266049 /nfs/dbraw/zinc/26/60/49/712266049.db2.gz MGQATYZVQSOMSI-ARFHVFGLSA-N 2 1 332.448 1.473 20 0 EDADMP CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946677454 712369346 /nfs/dbraw/zinc/36/93/46/712369346.db2.gz ATUHUIRKXAGPSZ-ZACQAIPSSA-N 2 1 334.464 1.397 20 0 EDADMP CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946677454 712369349 /nfs/dbraw/zinc/36/93/49/712369349.db2.gz ATUHUIRKXAGPSZ-ZACQAIPSSA-N 2 1 334.464 1.397 20 0 EDADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375901109 282208185 /nfs/dbraw/zinc/20/81/85/282208185.db2.gz AWFUAHDWMNCUIO-AEFFLSMTSA-N 2 1 338.540 1.780 20 0 EDADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375901109 282208186 /nfs/dbraw/zinc/20/81/86/282208186.db2.gz AWFUAHDWMNCUIO-AEFFLSMTSA-N 2 1 338.540 1.780 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CCSC1 ZINC000353333505 282229503 /nfs/dbraw/zinc/22/95/03/282229503.db2.gz YPWQVLWJXSQTAY-ZMSDIMECSA-N 2 1 340.537 1.549 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]2C(=O)N(C)C[C@H]21 ZINC000344255492 282250774 /nfs/dbraw/zinc/25/07/74/282250774.db2.gz MBQTZUFIDLAJQX-DLBZAZTESA-N 2 1 325.416 1.628 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]2C(=O)N(C)C[C@H]21 ZINC000344255492 282250776 /nfs/dbraw/zinc/25/07/76/282250776.db2.gz MBQTZUFIDLAJQX-DLBZAZTESA-N 2 1 325.416 1.628 20 0 EDADMP CCC(CC)[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC000342720956 282252130 /nfs/dbraw/zinc/25/21/30/282252130.db2.gz SBOOCKDXDBIURH-BSDSXHPESA-N 2 1 337.508 1.709 20 0 EDADMP C[N@H+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1(C)C ZINC000559258525 306252301 /nfs/dbraw/zinc/25/23/01/306252301.db2.gz VGANQZGBKPFOHT-UHFFFAOYSA-N 2 1 344.503 1.751 20 0 EDADMP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC(=O)N1C ZINC000330192572 539507729 /nfs/dbraw/zinc/50/77/29/539507729.db2.gz NVXISXYVLHNKQU-YKTARERQSA-N 2 1 345.491 1.525 20 0 EDADMP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC(=O)N1C ZINC000330192572 539507736 /nfs/dbraw/zinc/50/77/36/539507736.db2.gz NVXISXYVLHNKQU-YKTARERQSA-N 2 1 345.491 1.525 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000560583326 306275218 /nfs/dbraw/zinc/27/52/18/306275218.db2.gz BXXXFRNGKFHRBQ-GOSISDBHSA-N 2 1 334.460 1.789 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000436126288 539569598 /nfs/dbraw/zinc/56/95/98/539569598.db2.gz QPFUROFYESLETD-LSDHHAIUSA-N 2 1 328.501 1.203 20 0 EDADMP C[C@@H]1CCC[C@@](CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)([NH+](C)C)C1 ZINC000332826898 539607392 /nfs/dbraw/zinc/60/73/92/539607392.db2.gz LPGSWXAXPYZKMP-SOLBZPMBSA-N 2 1 339.528 1.042 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000561231299 306284923 /nfs/dbraw/zinc/28/49/23/306284923.db2.gz ZWLSTPOSSCKGPQ-IEBWSBKVSA-N 2 1 330.476 1.986 20 0 EDADMP O=C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000339069571 539699858 /nfs/dbraw/zinc/69/98/58/539699858.db2.gz JRLFYDNNNXSATM-MJGOQNOKSA-N 2 1 342.487 1.552 20 0 EDADMP O=C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000339069571 539699863 /nfs/dbraw/zinc/69/98/63/539699863.db2.gz JRLFYDNNNXSATM-MJGOQNOKSA-N 2 1 342.487 1.552 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000151432860 539753936 /nfs/dbraw/zinc/75/39/36/539753936.db2.gz BWMKDFYDEYGAHX-PMPSAXMXSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000151432860 539753941 /nfs/dbraw/zinc/75/39/41/539753941.db2.gz BWMKDFYDEYGAHX-PMPSAXMXSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000343319356 539785324 /nfs/dbraw/zinc/78/53/24/539785324.db2.gz OBHJCDXSSPSIAZ-ROUUACIJSA-N 2 1 333.476 1.864 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccs2)[N@H+](C)C1 ZINC000345356642 539829061 /nfs/dbraw/zinc/82/90/61/539829061.db2.gz BROOZEHHIFCLRY-ZFWWWQNUSA-N 2 1 325.478 1.357 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccs2)[N@@H+](C)C1 ZINC000345356642 539829063 /nfs/dbraw/zinc/82/90/63/539829063.db2.gz BROOZEHHIFCLRY-ZFWWWQNUSA-N 2 1 325.478 1.357 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)[N@H+](C)C1 ZINC000345888318 539841633 /nfs/dbraw/zinc/84/16/33/539841633.db2.gz NVJWJPPKMOTVBZ-FOIPXRHGSA-N 2 1 337.508 1.865 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)[N@@H+](C)C1 ZINC000345888318 539841637 /nfs/dbraw/zinc/84/16/37/539841637.db2.gz NVJWJPPKMOTVBZ-FOIPXRHGSA-N 2 1 337.508 1.865 20 0 EDADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000562869203 306311511 /nfs/dbraw/zinc/31/15/11/306311511.db2.gz JCHDPUMFADJVTI-AXDVPUBFSA-N 2 1 336.480 1.463 20 0 EDADMP COC[C@H](C)[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000643230283 452084071 /nfs/dbraw/zinc/08/40/71/452084071.db2.gz GLUHXBIIRYERSJ-ZOBUZTSGSA-N 2 1 325.497 1.532 20 0 EDADMP COC[C@H](C)[C@H](C)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643230283 452084078 /nfs/dbraw/zinc/08/40/78/452084078.db2.gz GLUHXBIIRYERSJ-ZOBUZTSGSA-N 2 1 325.497 1.532 20 0 EDADMP C[N@@H+](C[C@@H](O)CNC[C@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000562984355 306314823 /nfs/dbraw/zinc/31/48/23/306314823.db2.gz JNTSHGCGAHURRO-QUCCMNQESA-N 2 1 331.504 1.596 20 0 EDADMP C[NH+](C[C@@H](O)CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000562984355 306314824 /nfs/dbraw/zinc/31/48/24/306314824.db2.gz JNTSHGCGAHURRO-QUCCMNQESA-N 2 1 331.504 1.596 20 0 EDADMP C[NH+](C[C@@H](O)CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000562984355 306314825 /nfs/dbraw/zinc/31/48/25/306314825.db2.gz JNTSHGCGAHURRO-QUCCMNQESA-N 2 1 331.504 1.596 20 0 EDADMP C[C@@]1(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CCC[NH2+]1 ZINC000563151013 306320400 /nfs/dbraw/zinc/32/04/00/306320400.db2.gz ODLSWYWQQICVJJ-AWEZNQCLSA-N 2 1 337.386 1.242 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000412850984 304041906 /nfs/dbraw/zinc/04/19/06/304041906.db2.gz VHZYNHUOTIOUDW-SFHVURJKSA-N 2 1 344.503 1.799 20 0 EDADMP C[NH+](C)CCn1nnnc1S[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000412998304 304048739 /nfs/dbraw/zinc/04/87/39/304048739.db2.gz YOXYJLBUCGZODF-HNNXBMFYSA-N 2 1 332.477 1.601 20 0 EDADMP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000413039501 304052190 /nfs/dbraw/zinc/05/21/90/304052190.db2.gz HRYCCHDNXDLREW-ZBFHGGJFSA-N 2 1 334.464 1.691 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000413039501 304052191 /nfs/dbraw/zinc/05/21/91/304052191.db2.gz HRYCCHDNXDLREW-ZBFHGGJFSA-N 2 1 334.464 1.691 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073210454 138215216 /nfs/dbraw/zinc/21/52/16/138215216.db2.gz BDAZHKJZVABSQB-AWEZNQCLSA-N 2 1 337.468 1.238 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000074011113 138222703 /nfs/dbraw/zinc/22/27/03/138222703.db2.gz IILOWIOBYQOJGV-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000076941467 138250314 /nfs/dbraw/zinc/25/03/14/138250314.db2.gz WVZINDRTPIXOBE-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCN([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000125750433 138336026 /nfs/dbraw/zinc/33/60/26/138336026.db2.gz IYJFQEIRQZFASF-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N3CC[C@@H](C[NH+](C)C)C3)CC2)[nH+]c1 ZINC000130120988 138339951 /nfs/dbraw/zinc/33/99/51/138339951.db2.gz MTUBFVSBHROZPJ-INIZCTEOSA-N 2 1 345.491 1.952 20 0 EDADMP O=C(NCC[NH+]1CCCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000131352452 138358096 /nfs/dbraw/zinc/35/80/96/138358096.db2.gz BDPDVFGYDIRLBD-LJQANCHMSA-N 2 1 345.487 1.880 20 0 EDADMP O=C(NCC[NH+]1CCCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000131352452 138358097 /nfs/dbraw/zinc/35/80/97/138358097.db2.gz BDPDVFGYDIRLBD-LJQANCHMSA-N 2 1 345.487 1.880 20 0 EDADMP CC[C@H](NC(=O)NCC[NH+](C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133889274 138399498 /nfs/dbraw/zinc/39/94/98/138399498.db2.gz MQULVBVEAXEHBU-ROUUACIJSA-N 2 1 348.491 1.527 20 0 EDADMP CC[C@H](NC(=O)NCC[NH+](C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133889274 138399499 /nfs/dbraw/zinc/39/94/99/138399499.db2.gz MQULVBVEAXEHBU-ROUUACIJSA-N 2 1 348.491 1.527 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000353245805 283319065 /nfs/dbraw/zinc/31/90/65/283319065.db2.gz UXPVVOSWQQCQSW-BRSBDYLESA-N 2 1 337.508 1.759 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000487083918 283333548 /nfs/dbraw/zinc/33/35/48/283333548.db2.gz LXGOERWBXKRYHR-BZUAXINKSA-N 2 1 325.522 1.899 20 0 EDADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000564644903 306361739 /nfs/dbraw/zinc/36/17/39/306361739.db2.gz OREQVIJGDIEVDM-CVEARBPZSA-N 2 1 331.464 1.516 20 0 EDADMP COC(=O)[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+](C)C1 ZINC000413902435 304086933 /nfs/dbraw/zinc/08/69/33/304086933.db2.gz NMODQOHREMCHLD-OAHLLOKOSA-N 2 1 339.480 1.062 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000418707371 296026160 /nfs/dbraw/zinc/02/61/60/296026160.db2.gz TUKFPHHINWNQRY-CVEARBPZSA-N 2 1 349.479 1.051 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)C[NH2+]CC2CC2)c2cccs2)CC1 ZINC000565418409 306383457 /nfs/dbraw/zinc/38/34/57/306383457.db2.gz LKAUAVNRHCQFFT-HNNXBMFYSA-N 2 1 336.505 1.152 20 0 EDADMP COCCOC[C@H](O)C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000294993625 201347352 /nfs/dbraw/zinc/34/73/52/201347352.db2.gz QZCSTSCCIOPGLK-LJQANCHMSA-N 2 1 336.476 1.607 20 0 EDADMP CN(C)c1[nH+]cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)n1C ZINC000414362399 304111996 /nfs/dbraw/zinc/11/19/96/304111996.db2.gz SCKWVHVBKSSIAQ-OAHLLOKOSA-N 2 1 343.479 1.634 20 0 EDADMP C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694249 304128560 /nfs/dbraw/zinc/12/85/60/304128560.db2.gz MZNDCUUVORBDIL-IEBWSBKVSA-N 2 1 344.503 1.390 20 0 EDADMP COc1c(C)cnc(C[N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)c1C ZINC000414704818 304130468 /nfs/dbraw/zinc/13/04/68/304130468.db2.gz DIXYFMJUSBBRBL-OAHLLOKOSA-N 2 1 334.464 1.336 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)c1 ZINC000414807081 304143059 /nfs/dbraw/zinc/14/30/59/304143059.db2.gz QRWWFXLESOUIAW-UHFFFAOYSA-N 2 1 346.475 1.677 20 0 EDADMP COC(=O)c1cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)oc1C ZINC000414988600 304148174 /nfs/dbraw/zinc/14/81/74/304148174.db2.gz PKYGNAJEFZQODE-CYBMUJFWSA-N 2 1 349.353 1.300 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000415049282 304154834 /nfs/dbraw/zinc/15/48/34/304154834.db2.gz XSKGEENYJNHPCI-CZUORRHYSA-N 2 1 349.431 1.158 20 0 EDADMP [NH3+]CCc1nc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cs1 ZINC000194828740 139000798 /nfs/dbraw/zinc/00/07/98/139000798.db2.gz GVXFZYNEKMTJJE-UHFFFAOYSA-N 2 1 344.484 1.823 20 0 EDADMP C[C@H](CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1)[N@@H+](C)C1CC1 ZINC000105113765 204135076 /nfs/dbraw/zinc/13/50/76/204135076.db2.gz LKQSWOXWQDKZKD-OAHLLOKOSA-N 2 1 348.491 1.909 20 0 EDADMP CC(C)[C@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)[NH+](C)C ZINC000106433416 204195823 /nfs/dbraw/zinc/19/58/23/204195823.db2.gz DQWQZKJBQPZEOE-IAGOWNOFSA-N 2 1 346.475 1.661 20 0 EDADMP CC(C)[C@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)[NH+](C)C ZINC000106433416 204195826 /nfs/dbraw/zinc/19/58/26/204195826.db2.gz DQWQZKJBQPZEOE-IAGOWNOFSA-N 2 1 346.475 1.661 20 0 EDADMP COC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367132288 284271331 /nfs/dbraw/zinc/27/13/31/284271331.db2.gz AFJIPBGHCMPJLV-IRXDYDNUSA-N 2 1 325.497 1.534 20 0 EDADMP COC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367132288 284271333 /nfs/dbraw/zinc/27/13/33/284271333.db2.gz AFJIPBGHCMPJLV-IRXDYDNUSA-N 2 1 325.497 1.534 20 0 EDADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415146544 304164640 /nfs/dbraw/zinc/16/46/40/304164640.db2.gz YVXSLGXFSVRGLF-QZTJIDSGSA-N 2 1 346.450 1.854 20 0 EDADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cccnc3N)CC2)C[C@@H](C)O1 ZINC000567337822 306447465 /nfs/dbraw/zinc/44/74/65/306447465.db2.gz QMZIDNHOQBUVKB-HZPDHXFCSA-N 2 1 348.491 1.754 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236635780 139027459 /nfs/dbraw/zinc/02/74/59/139027459.db2.gz KWNNRCBFINGZAZ-ZWKOTPCHSA-N 2 1 333.476 1.767 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236635780 139027460 /nfs/dbraw/zinc/02/74/60/139027460.db2.gz KWNNRCBFINGZAZ-ZWKOTPCHSA-N 2 1 333.476 1.767 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000236842383 139033176 /nfs/dbraw/zinc/03/31/76/139033176.db2.gz OOAAYKSDIQDFLB-GOSISDBHSA-N 2 1 332.492 1.294 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000236917675 139035102 /nfs/dbraw/zinc/03/51/02/139035102.db2.gz BWRHORUWDUFEHJ-YEWWUXTCSA-N 2 1 349.475 1.768 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000180751814 296183819 /nfs/dbraw/zinc/18/38/19/296183819.db2.gz DESKYHLOAHLRDT-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H](NC(=O)CCC[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236993338 139037424 /nfs/dbraw/zinc/03/74/24/139037424.db2.gz VDBUZXUETMTEPE-ROUUACIJSA-N 2 1 333.476 1.782 20 0 EDADMP CC[C@H](NC(=O)CCC[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236993338 139037425 /nfs/dbraw/zinc/03/74/25/139037425.db2.gz VDBUZXUETMTEPE-ROUUACIJSA-N 2 1 333.476 1.782 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000237043972 139038979 /nfs/dbraw/zinc/03/89/79/139038979.db2.gz ZFJDHDKXDPWNPA-AWEZNQCLSA-N 2 1 336.505 1.643 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)CC(C)(C)[NH3+])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000237127364 139041461 /nfs/dbraw/zinc/04/14/61/139041461.db2.gz YSCQEHGJAAJBNM-INIZCTEOSA-N 2 1 346.475 1.919 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C3CC[NH2+]CC3)cc2)CC1 ZINC000237214725 139044690 /nfs/dbraw/zinc/04/46/90/139044690.db2.gz WKOVZSKOXSONIP-UHFFFAOYSA-N 2 1 330.476 1.050 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000415172326 304170479 /nfs/dbraw/zinc/17/04/79/304170479.db2.gz OCJJXCGNVFHBQY-QGZVFWFLSA-N 2 1 346.475 1.533 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000415172326 304170480 /nfs/dbraw/zinc/17/04/80/304170480.db2.gz OCJJXCGNVFHBQY-QGZVFWFLSA-N 2 1 346.475 1.533 20 0 EDADMP C[C@@H](c1ccc(NC(=O)N[C@H](C[NH3+])C2CC2)cc1)[NH+]1CCOCC1 ZINC000415174991 304170920 /nfs/dbraw/zinc/17/09/20/304170920.db2.gz DOAQUFJXZLTENQ-SUMWQHHRSA-N 2 1 332.448 1.939 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000496173660 284349866 /nfs/dbraw/zinc/34/98/66/284349866.db2.gz UWDHXSKVZGKZTP-RBSFLKMASA-N 2 1 329.485 1.534 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237617718 139055862 /nfs/dbraw/zinc/05/58/62/139055862.db2.gz DOGNSRRCMHUXPC-IYBDPMFKSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237617718 139055863 /nfs/dbraw/zinc/05/58/63/139055863.db2.gz DOGNSRRCMHUXPC-IYBDPMFKSA-N 2 1 345.487 1.912 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)C[C@@H]3CSCC[NH2+]3)CC2)[nH+]1 ZINC000237712918 139058351 /nfs/dbraw/zinc/05/83/51/139058351.db2.gz HQGLIUQOOMODHI-OAHLLOKOSA-N 2 1 334.489 1.570 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)[C@H]3CC34CC[NH2+]CC4)CC2)[nH+]1 ZINC000237851742 139062007 /nfs/dbraw/zinc/06/20/07/139062007.db2.gz VYVKKONSBWWJKC-MRXNPFEDSA-N 2 1 328.460 1.865 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415227289 304176238 /nfs/dbraw/zinc/17/62/38/304176238.db2.gz LLGSZHYBFYTIQL-AWEZNQCLSA-N 2 1 334.464 1.581 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000111819003 220198896 /nfs/dbraw/zinc/19/88/96/220198896.db2.gz BIEWNOXUFNMPKQ-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000111843318 220204622 /nfs/dbraw/zinc/20/46/22/220204622.db2.gz WOKGLBHEWRMREQ-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000111847485 220207716 /nfs/dbraw/zinc/20/77/16/220207716.db2.gz PXOADQMPBMWSIX-QGZVFWFLSA-N 2 1 340.512 1.518 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000245703037 139083710 /nfs/dbraw/zinc/08/37/10/139083710.db2.gz RSICBEZQKGBOBH-ZBFHGGJFSA-N 2 1 349.479 1.918 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000245703037 139083711 /nfs/dbraw/zinc/08/37/11/139083711.db2.gz RSICBEZQKGBOBH-ZBFHGGJFSA-N 2 1 349.479 1.918 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157347398 206131360 /nfs/dbraw/zinc/13/13/60/206131360.db2.gz FCGLRTUOBLIUSA-MJGOQNOKSA-N 2 1 348.487 1.990 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246631199 139115714 /nfs/dbraw/zinc/11/57/14/139115714.db2.gz HRFFLKBQLXCQLQ-RYQLBKOJSA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246631199 139115715 /nfs/dbraw/zinc/11/57/15/139115715.db2.gz HRFFLKBQLXCQLQ-RYQLBKOJSA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246631199 139115716 /nfs/dbraw/zinc/11/57/16/139115716.db2.gz HRFFLKBQLXCQLQ-RYQLBKOJSA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246631199 139115717 /nfs/dbraw/zinc/11/57/17/139115717.db2.gz HRFFLKBQLXCQLQ-RYQLBKOJSA-N 2 1 336.476 1.987 20 0 EDADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246677621 139117426 /nfs/dbraw/zinc/11/74/26/139117426.db2.gz FZIQXPZGFLUTAI-OLZOCXBDSA-N 2 1 333.436 1.051 20 0 EDADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246677621 139117427 /nfs/dbraw/zinc/11/74/27/139117427.db2.gz FZIQXPZGFLUTAI-OLZOCXBDSA-N 2 1 333.436 1.051 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000247962000 139156415 /nfs/dbraw/zinc/15/64/15/139156415.db2.gz CWLFTGSSRIYWMG-QZTJIDSGSA-N 2 1 346.475 1.405 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000247962000 139156416 /nfs/dbraw/zinc/15/64/16/139156416.db2.gz CWLFTGSSRIYWMG-QZTJIDSGSA-N 2 1 346.475 1.405 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000248766438 139174704 /nfs/dbraw/zinc/17/47/04/139174704.db2.gz GZHUXYDMIPJBBO-SJLPKXTDSA-N 2 1 348.491 1.384 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248766438 139174705 /nfs/dbraw/zinc/17/47/05/139174705.db2.gz GZHUXYDMIPJBBO-SJLPKXTDSA-N 2 1 348.491 1.384 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248766438 139174706 /nfs/dbraw/zinc/17/47/06/139174706.db2.gz GZHUXYDMIPJBBO-SJLPKXTDSA-N 2 1 348.491 1.384 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)NCC(C)C)[C@@H](C)C1 ZINC000249460134 139193625 /nfs/dbraw/zinc/19/36/25/139193625.db2.gz QNAJCTQPGGAMRI-ULQDDVLXSA-N 2 1 327.513 1.874 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)NCC(C)C)[C@@H](C)C1 ZINC000249460134 139193626 /nfs/dbraw/zinc/19/36/26/139193626.db2.gz QNAJCTQPGGAMRI-ULQDDVLXSA-N 2 1 327.513 1.874 20 0 EDADMP CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000249769996 139198442 /nfs/dbraw/zinc/19/84/42/139198442.db2.gz RVXWLZMNFICHKX-JYJNAYRXSA-N 2 1 340.512 1.658 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000249769996 139198443 /nfs/dbraw/zinc/19/84/43/139198443.db2.gz RVXWLZMNFICHKX-JYJNAYRXSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000261608450 139210433 /nfs/dbraw/zinc/21/04/33/139210433.db2.gz AXDGQTNFTQRPPJ-MLGOLLRUSA-N 2 1 337.489 1.365 20 0 EDADMP C[NH2+][C@H](C)Cc1noc(-c2ccc(C[NH+]3CCN(C)CC3)cc2)n1 ZINC000261733098 139221611 /nfs/dbraw/zinc/22/16/11/139221611.db2.gz KKFFYGIBHYMRIE-CQSZACIVSA-N 2 1 329.448 1.634 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261764122 139223975 /nfs/dbraw/zinc/22/39/75/139223975.db2.gz LXUHTKNLFJPLQV-ATZDWAIDSA-N 2 1 345.487 1.910 20 0 EDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000261745305 139222548 /nfs/dbraw/zinc/22/25/48/139222548.db2.gz PRJXDFWCVVMDAP-LJQANCHMSA-N 2 1 331.460 1.762 20 0 EDADMP c1cn(-c2ncccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cn1 ZINC000261991366 139242244 /nfs/dbraw/zinc/24/22/44/139242244.db2.gz SSSQPQYRKKFUGM-BBWFWOEESA-N 2 1 327.432 1.514 20 0 EDADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262004214 139243125 /nfs/dbraw/zinc/24/31/25/139243125.db2.gz UUMHCOPUYIYXHL-KZNAEPCWSA-N 2 1 331.460 1.472 20 0 EDADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262029134 139245040 /nfs/dbraw/zinc/24/50/40/139245040.db2.gz XJMCINRQANOBOQ-OTWHNJEPSA-N 2 1 345.487 1.678 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000356235220 296310620 /nfs/dbraw/zinc/31/06/20/296310620.db2.gz LGNHPQPMFKJRSK-MRXNPFEDSA-N 2 1 333.480 1.869 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(-c2ccccc2)n1 ZINC000262069735 139248359 /nfs/dbraw/zinc/24/83/59/139248359.db2.gz BZALGKXUONGOIW-SFHVURJKSA-N 2 1 325.460 1.567 20 0 EDADMP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000174735760 207050573 /nfs/dbraw/zinc/05/05/73/207050573.db2.gz LJOPAIOVDBIDHX-HZPDHXFCSA-N 2 1 339.528 1.042 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000174735760 207050574 /nfs/dbraw/zinc/05/05/74/207050574.db2.gz LJOPAIOVDBIDHX-HZPDHXFCSA-N 2 1 339.528 1.042 20 0 EDADMP CCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H]1COc2ccccc2O1 ZINC000262236684 139262554 /nfs/dbraw/zinc/26/25/54/139262554.db2.gz VVAYSHLPWYFVSS-INIZCTEOSA-N 2 1 347.459 1.360 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415977876 251041728 /nfs/dbraw/zinc/04/17/28/251041728.db2.gz ORCLVRFFQXSFMS-MRXNPFEDSA-N 2 1 347.463 1.210 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1O ZINC000262222247 139261293 /nfs/dbraw/zinc/26/12/93/139261293.db2.gz MVGJFBONLUPULS-CVEARBPZSA-N 2 1 347.459 1.481 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416007605 251046071 /nfs/dbraw/zinc/04/60/71/251046071.db2.gz NBXVISXZAHMTQK-NWDGAFQWSA-N 2 1 333.358 1.645 20 0 EDADMP [NH3+][C@@H](CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000416883546 251117469 /nfs/dbraw/zinc/11/74/69/251117469.db2.gz OCNCEYKPPCVKOO-KRWDZBQOSA-N 2 1 332.448 1.055 20 0 EDADMP CC[NH2+]CCNC(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000417000178 251125355 /nfs/dbraw/zinc/12/53/55/251125355.db2.gz YHRFIOGZLBHQFN-UHFFFAOYSA-N 2 1 347.507 1.233 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)[NH+](C)C)cc1 ZINC000417317179 251156696 /nfs/dbraw/zinc/15/66/96/251156696.db2.gz VYALTEJAKXUTCS-SJLPKXTDSA-N 2 1 336.455 1.941 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417557252 251187708 /nfs/dbraw/zinc/18/77/08/251187708.db2.gz RCZUWPURFHHLFC-NVXWUHKLSA-N 2 1 328.476 1.984 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417557252 251187712 /nfs/dbraw/zinc/18/77/12/251187712.db2.gz RCZUWPURFHHLFC-NVXWUHKLSA-N 2 1 328.476 1.984 20 0 EDADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CNC(=O)C[NH3+])c1 ZINC000262410625 139277255 /nfs/dbraw/zinc/27/72/55/139277255.db2.gz PFSUTUFOCGDYQG-UHFFFAOYSA-N 2 1 329.404 1.068 20 0 EDADMP C[C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)[N@H+]1CCCC[C@H]1C ZINC000262417679 139277733 /nfs/dbraw/zinc/27/77/33/139277733.db2.gz ZUGYUMKVYRWZHQ-HZPDHXFCSA-N 2 1 333.480 1.341 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3CCC[NH2+][C@@H]3C)CC2)[nH+]1 ZINC000417703503 251234104 /nfs/dbraw/zinc/23/41/04/251234104.db2.gz REHHGWIUBOKXKG-GDBMZVCRSA-N 2 1 331.464 1.799 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000417715071 251238883 /nfs/dbraw/zinc/23/88/83/251238883.db2.gz SFSHJCNVZFVKOC-QGZVFWFLSA-N 2 1 334.464 1.268 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000417753046 251256386 /nfs/dbraw/zinc/25/63/86/251256386.db2.gz NVIGWSJWKRWQIB-HOTGVXAUSA-N 2 1 347.507 1.389 20 0 EDADMP CC[C@@H](NC(=O)NCCC[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417887623 251314001 /nfs/dbraw/zinc/31/40/01/251314001.db2.gz IGQDGMKSFBRQFV-QZTJIDSGSA-N 2 1 348.491 1.575 20 0 EDADMP CC[C@@H](NC(=O)NCCC[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417887623 251314005 /nfs/dbraw/zinc/31/40/05/251314005.db2.gz IGQDGMKSFBRQFV-QZTJIDSGSA-N 2 1 348.491 1.575 20 0 EDADMP CC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417888047 251315343 /nfs/dbraw/zinc/31/53/43/251315343.db2.gz IJTHPWVHODWIMX-CIRFHOKZSA-N 2 1 348.491 1.701 20 0 EDADMP CC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417888047 251315348 /nfs/dbraw/zinc/31/53/48/251315348.db2.gz IJTHPWVHODWIMX-CIRFHOKZSA-N 2 1 348.491 1.701 20 0 EDADMP C[NH2+]CCCNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418079691 251320330 /nfs/dbraw/zinc/32/03/30/251320330.db2.gz QVJVQYJZSNGBIW-INIZCTEOSA-N 2 1 336.505 1.513 20 0 EDADMP C[NH2+]CCCNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418079691 251320334 /nfs/dbraw/zinc/32/03/34/251320334.db2.gz QVJVQYJZSNGBIW-INIZCTEOSA-N 2 1 336.505 1.513 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H](CC[NH3+])C2)CCCO1 ZINC000418117697 251331391 /nfs/dbraw/zinc/33/13/91/251331391.db2.gz SBLVVKRRBFPMRX-CVEARBPZSA-N 2 1 326.485 1.258 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(CC[NH3+])CCc2ccccc2)C[N@H+]1C1CC1 ZINC000417858332 251300841 /nfs/dbraw/zinc/30/08/41/251300841.db2.gz PKKMZZZVKQCACU-NVXWUHKLSA-N 2 1 330.476 1.825 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000418423400 251366548 /nfs/dbraw/zinc/36/65/48/251366548.db2.gz CEOYABVZKGPEGU-QBPKDAKJSA-N 2 1 340.512 1.643 20 0 EDADMP Cc1cc(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000418196506 251355165 /nfs/dbraw/zinc/35/51/65/251355165.db2.gz HSKPJOGRMHNGFG-BBRMVZONSA-N 2 1 331.464 1.787 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000418347234 251361559 /nfs/dbraw/zinc/36/15/59/251361559.db2.gz NHCNPVVHXRSYJE-QGZVFWFLSA-N 2 1 330.476 1.904 20 0 EDADMP O=C(NCC[C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000418347233 251361655 /nfs/dbraw/zinc/36/16/55/251361655.db2.gz NHCNPVVHXRSYJE-KRWDZBQOSA-N 2 1 330.476 1.904 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000418713800 251392794 /nfs/dbraw/zinc/39/27/94/251392794.db2.gz YFNWTNUJJRXLLG-IAGOWNOFSA-N 2 1 347.507 1.181 20 0 EDADMP COCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC[NH2+]CC1 ZINC000418638178 251382834 /nfs/dbraw/zinc/38/28/34/251382834.db2.gz LHUYLEASQDXMCZ-OAHLLOKOSA-N 2 1 326.485 1.127 20 0 EDADMP [NH3+]CCCC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000262639732 139292338 /nfs/dbraw/zinc/29/23/38/139292338.db2.gz JTRGIAVVSPXEAQ-UHFFFAOYSA-N 2 1 332.492 1.440 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415952533 295642469 /nfs/dbraw/zinc/64/24/69/295642469.db2.gz HKRMRNMXCXHNBT-UHFFFAOYSA-N 2 1 336.411 1.315 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000262693027 139296707 /nfs/dbraw/zinc/29/67/07/139296707.db2.gz BEUNTUHWJPHBEP-APWZRJJASA-N 2 1 332.492 1.831 20 0 EDADMP CC1(O)CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000177294679 207317273 /nfs/dbraw/zinc/31/72/73/207317273.db2.gz PZBABRCEZSWLDT-UHFFFAOYSA-N 2 1 345.487 1.745 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)[C@@H](C)C1 ZINC000262738585 139300180 /nfs/dbraw/zinc/30/01/80/139300180.db2.gz IUGQBKFWMJZSOR-ZOBUZTSGSA-N 2 1 333.480 1.610 20 0 EDADMP C[C@H]([NH2+]CC(=O)Nc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000423043301 252028025 /nfs/dbraw/zinc/02/80/25/252028025.db2.gz OFPNAQKISGUNHX-QWRGUYRKSA-N 2 1 326.238 1.975 20 0 EDADMP COC[C@]1(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000423356714 252052262 /nfs/dbraw/zinc/05/22/62/252052262.db2.gz HFXXJCRDSGUBGK-AYBZRNKSSA-N 2 1 331.460 1.564 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423671444 252066485 /nfs/dbraw/zinc/06/64/85/252066485.db2.gz WPKLNUMDORYYDG-QMCVQRASSA-N 2 1 328.460 1.827 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423737644 252067270 /nfs/dbraw/zinc/06/72/70/252067270.db2.gz CWMGTTYRQBWKPM-MJGOQNOKSA-N 2 1 345.487 1.530 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000423737644 252067274 /nfs/dbraw/zinc/06/72/74/252067274.db2.gz CWMGTTYRQBWKPM-MJGOQNOKSA-N 2 1 345.487 1.530 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424139874 252140320 /nfs/dbraw/zinc/14/03/20/252140320.db2.gz VSOZOKDYPMFXFX-CVEARBPZSA-N 2 1 348.495 1.587 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424150938 252145436 /nfs/dbraw/zinc/14/54/36/252145436.db2.gz ZYWCJFBGALZXDN-GJZGRUSLSA-N 2 1 334.468 1.197 20 0 EDADMP COC1(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]CC1 ZINC000424218209 252165799 /nfs/dbraw/zinc/16/57/99/252165799.db2.gz RLRHHQMSSDABQE-ZWKOTPCHSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(NCC[C@H]1CC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424470111 252243123 /nfs/dbraw/zinc/24/31/23/252243123.db2.gz AUMPKTLDCAORAF-NZSAHSFTSA-N 2 1 342.487 1.902 20 0 EDADMP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000569912554 306524575 /nfs/dbraw/zinc/52/45/75/306524575.db2.gz ISFVOQFFZKBNKZ-BBWFWOEESA-N 2 1 329.448 1.126 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)C2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263282631 139332981 /nfs/dbraw/zinc/33/29/81/139332981.db2.gz JZSSCVXNKINPLZ-NHYWBVRUSA-N 2 1 325.815 1.808 20 0 EDADMP CCC[NH+]1CCC(N2CC[NH+](CCCC(=O)OCC)CC2)CC1 ZINC000112357963 220313025 /nfs/dbraw/zinc/31/30/25/220313025.db2.gz YDGIESGTSCSSHV-UHFFFAOYSA-N 2 1 325.497 1.822 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cn2cc[nH+]c12 ZINC000415681453 304255332 /nfs/dbraw/zinc/25/53/32/304255332.db2.gz WPXKXEJBCIIAKO-CQSZACIVSA-N 2 1 343.431 1.476 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000641741178 452230899 /nfs/dbraw/zinc/23/08/99/452230899.db2.gz DLAGVEIWIVOMLI-OAHLLOKOSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](C)[C@@H]2CO)[C@@H]1CO ZINC000305737892 296390996 /nfs/dbraw/zinc/39/09/96/296390996.db2.gz QJVVSHPYSRMBIA-USTZCAOPSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@H](C)[C@@H]2CO)[C@@H]1CO ZINC000305737892 296390998 /nfs/dbraw/zinc/39/09/98/296390998.db2.gz QJVVSHPYSRMBIA-USTZCAOPSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@H](C)[C@@H]2CO)[C@@H]1CO ZINC000305737892 296390999 /nfs/dbraw/zinc/39/09/99/296390999.db2.gz QJVVSHPYSRMBIA-USTZCAOPSA-N 2 1 328.497 1.189 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000641741178 452230911 /nfs/dbraw/zinc/23/09/11/452230911.db2.gz DLAGVEIWIVOMLI-OAHLLOKOSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000641741178 452230905 /nfs/dbraw/zinc/23/09/05/452230905.db2.gz DLAGVEIWIVOMLI-OAHLLOKOSA-N 2 1 326.485 1.079 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1CC[NH+](C)CC1 ZINC000362692496 285243024 /nfs/dbraw/zinc/24/30/24/285243024.db2.gz KIJKCOSMSMNQTD-GOSISDBHSA-N 3 1 338.540 1.593 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000487146934 255026836 /nfs/dbraw/zinc/02/68/36/255026836.db2.gz IPUCAHIDPRMGNP-IRXDYDNUSA-N 2 1 336.524 1.060 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000487777541 255035162 /nfs/dbraw/zinc/03/51/62/255035162.db2.gz CZCOJQQPRJAFOE-KXBFYZLASA-N 2 1 345.487 1.974 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000341059570 285245220 /nfs/dbraw/zinc/24/52/20/285245220.db2.gz XEXMLYBXSHODGR-IAGOWNOFSA-N 3 1 341.544 1.384 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccoc1C(=O)OC ZINC000349065479 285250987 /nfs/dbraw/zinc/25/09/87/285250987.db2.gz ZXJXDOXEOGRGPD-MRXNPFEDSA-N 2 1 337.464 1.914 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000255843716 285257515 /nfs/dbraw/zinc/25/75/15/285257515.db2.gz LVACCOAOEAWZJA-HRCADAONSA-N 2 1 340.512 1.658 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000255843716 285257518 /nfs/dbraw/zinc/25/75/18/285257518.db2.gz LVACCOAOEAWZJA-HRCADAONSA-N 2 1 340.512 1.658 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@]2(C)CCO[C@@H]2C)CC1 ZINC000494278117 255244132 /nfs/dbraw/zinc/24/41/32/255244132.db2.gz XEROLUJCEXIHBZ-YLJYHZDGSA-N 2 1 345.487 1.796 20 0 EDADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416287408 304302644 /nfs/dbraw/zinc/30/26/44/304302644.db2.gz BXWJYBLDBNURFK-SJORKVTESA-N 2 1 345.487 1.810 20 0 EDADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C[N@H+]1CCO ZINC000416287408 304302646 /nfs/dbraw/zinc/30/26/46/304302646.db2.gz BXWJYBLDBNURFK-SJORKVTESA-N 2 1 345.487 1.810 20 0 EDADMP C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1C1CC1 ZINC000331504567 141040095 /nfs/dbraw/zinc/04/00/95/141040095.db2.gz LZZNZZJYVAXWFT-ZFWWWQNUSA-N 2 1 337.489 1.652 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C2 ZINC000332639109 141220685 /nfs/dbraw/zinc/22/06/85/141220685.db2.gz QPIBLRPQNJANEO-HIFRSBDPSA-N 2 1 334.464 1.058 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C2 ZINC000332639109 141220687 /nfs/dbraw/zinc/22/06/87/141220687.db2.gz QPIBLRPQNJANEO-HIFRSBDPSA-N 2 1 334.464 1.058 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000333465965 141321619 /nfs/dbraw/zinc/32/16/19/141321619.db2.gz ZXJQAIDPOLXEIY-CVEARBPZSA-N 2 1 338.496 1.127 20 0 EDADMP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000333495931 141326646 /nfs/dbraw/zinc/32/66/46/141326646.db2.gz DWWAUSVJEKMVCX-ABHNRTSZSA-N 2 1 349.523 1.083 20 0 EDADMP C[N@@H+](C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C[C@@H]1CC[NH+](C)C1 ZINC000416408613 304316394 /nfs/dbraw/zinc/31/63/94/304316394.db2.gz QZCUDOBZLWQAIR-GDBMZVCRSA-N 2 1 347.459 1.195 20 0 EDADMP C[NH+](C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C[C@@H]1CC[N@H+](C)C1 ZINC000416408613 304316396 /nfs/dbraw/zinc/31/63/96/304316396.db2.gz QZCUDOBZLWQAIR-GDBMZVCRSA-N 2 1 347.459 1.195 20 0 EDADMP C[NH+](C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C[C@@H]1CC[N@@H+](C)C1 ZINC000416408613 304316399 /nfs/dbraw/zinc/31/63/99/304316399.db2.gz QZCUDOBZLWQAIR-GDBMZVCRSA-N 2 1 347.459 1.195 20 0 EDADMP CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000339576300 142081624 /nfs/dbraw/zinc/08/16/24/142081624.db2.gz ZMPOJDYNLIMUIW-HNNXBMFYSA-N 2 1 340.512 1.071 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cc(=O)[nH]1 ZINC000339655895 142109229 /nfs/dbraw/zinc/10/92/29/142109229.db2.gz VGLMFEINZWPEON-OAHLLOKOSA-N 2 1 334.464 1.584 20 0 EDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000340188151 142296743 /nfs/dbraw/zinc/29/67/43/142296743.db2.gz HEIWKSDKPZHLAN-SUMWQHHRSA-N 2 1 337.489 1.643 20 0 EDADMP C[C@H]1[C@H](NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CCC[N@H+]1C ZINC000345245951 143069147 /nfs/dbraw/zinc/06/91/47/143069147.db2.gz GAVFWQWLXATBHE-SWLSCSKDSA-N 2 1 347.463 1.451 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000345730629 143126741 /nfs/dbraw/zinc/12/67/41/143126741.db2.gz FRRDFEXMTVBEJV-LUKYLMHMSA-N 2 1 340.512 1.610 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000345730629 143126742 /nfs/dbraw/zinc/12/67/42/143126742.db2.gz FRRDFEXMTVBEJV-LUKYLMHMSA-N 2 1 340.512 1.610 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000345730629 143126743 /nfs/dbraw/zinc/12/67/43/143126743.db2.gz FRRDFEXMTVBEJV-LUKYLMHMSA-N 2 1 340.512 1.610 20 0 EDADMP Cn1nccc1[C@H]1[C@@H]([NH2+]CCC[NH+]2CCCCC2)CC(=O)N1C1CC1 ZINC000346701570 143234287 /nfs/dbraw/zinc/23/42/87/143234287.db2.gz BGWFJHKJZDTBKZ-QFBILLFUSA-N 2 1 345.491 1.690 20 0 EDADMP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1nccn1C ZINC000347256973 143300829 /nfs/dbraw/zinc/30/08/29/143300829.db2.gz AGJFGXDAGLOVSB-DOTOQJQBSA-N 2 1 343.475 1.360 20 0 EDADMP C[C@H](CNC(=O)CCCC[NH+]1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000347384154 143315303 /nfs/dbraw/zinc/31/53/03/143315303.db2.gz YGZVLBSZLADZGR-IAGOWNOFSA-N 2 1 325.497 1.868 20 0 EDADMP C[C@H](CNC(=O)CCCC[NH+]1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000347384154 143315304 /nfs/dbraw/zinc/31/53/04/143315304.db2.gz YGZVLBSZLADZGR-IAGOWNOFSA-N 2 1 325.497 1.868 20 0 EDADMP CC[N@H+]1CC[C@H](NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414214 143318332 /nfs/dbraw/zinc/31/83/32/143318332.db2.gz FJQUPEMDWQLJDK-HOJAQTOUSA-N 2 1 331.504 1.943 20 0 EDADMP CC[NH+]1CC[C@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414214 143318333 /nfs/dbraw/zinc/31/83/33/143318333.db2.gz FJQUPEMDWQLJDK-HOJAQTOUSA-N 2 1 331.504 1.943 20 0 EDADMP CC[NH+]1CC[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414214 143318334 /nfs/dbraw/zinc/31/83/34/143318334.db2.gz FJQUPEMDWQLJDK-HOJAQTOUSA-N 2 1 331.504 1.943 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)C[NH+]1CCCCC1 ZINC000347492451 143328287 /nfs/dbraw/zinc/32/82/87/143328287.db2.gz DBXMPEZTOITFDU-HOTGVXAUSA-N 2 1 333.480 1.867 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000347668387 143347446 /nfs/dbraw/zinc/34/74/46/143347446.db2.gz CUKFCHPUOXBNQO-SJORKVTESA-N 2 1 339.524 1.972 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C(=O)NC)[C@@H](C)C1 ZINC000358235008 286063592 /nfs/dbraw/zinc/06/35/92/286063592.db2.gz HRUZBZZYYIQZKO-LUKYLMHMSA-N 2 1 325.497 1.628 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CCC[C@H]1C[NH3+])[NH+](C)C ZINC000416855597 304352087 /nfs/dbraw/zinc/35/20/87/304352087.db2.gz WBMVSFIAPSGODY-BPUTZDHNSA-N 2 1 334.464 1.725 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C)[NH+](C)C ZINC000416859107 304352458 /nfs/dbraw/zinc/35/24/58/304352458.db2.gz ZLNIARCXOYLERP-LZWOXQAQSA-N 2 1 334.464 1.690 20 0 EDADMP CCNC(=O)NC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000369904557 155223701 /nfs/dbraw/zinc/22/37/01/155223701.db2.gz NIOGIALVAQJXOW-NVXWUHKLSA-N 2 1 346.475 1.675 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000416899498 304354623 /nfs/dbraw/zinc/35/46/23/304354623.db2.gz FVJVTBAZEKSOCE-UHFFFAOYSA-N 2 1 326.391 1.676 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000352683365 149114789 /nfs/dbraw/zinc/11/47/89/149114789.db2.gz KKPUBYCUHNYNTM-CQSZACIVSA-N 2 1 326.510 1.351 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000352683365 149114790 /nfs/dbraw/zinc/11/47/90/149114790.db2.gz KKPUBYCUHNYNTM-CQSZACIVSA-N 2 1 326.510 1.351 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000353072252 149274071 /nfs/dbraw/zinc/27/40/71/149274071.db2.gz BMLCCBAUHIVUOP-ZWKOTPCHSA-N 2 1 337.508 1.822 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000353072252 149274072 /nfs/dbraw/zinc/27/40/72/149274072.db2.gz BMLCCBAUHIVUOP-ZWKOTPCHSA-N 2 1 337.508 1.822 20 0 EDADMP CCOC1CC([NH2+]C[C@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)C1 ZINC000354918517 150031157 /nfs/dbraw/zinc/03/11/57/150031157.db2.gz ILUUCKXNVOSNJL-FEWQNLEASA-N 2 1 337.443 1.617 20 0 EDADMP CCn1cc(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)cn1 ZINC000354934160 150039921 /nfs/dbraw/zinc/03/99/21/150039921.db2.gz IZAYLUKQUZTWFO-GJZGRUSLSA-N 2 1 347.442 1.466 20 0 EDADMP CCn1nccc1C[NH2+]C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354935394 150040608 /nfs/dbraw/zinc/04/06/08/150040608.db2.gz QCKHMMIPUUUDJD-UKRRQHHQSA-N 2 1 347.442 1.466 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000355082510 150108494 /nfs/dbraw/zinc/10/84/94/150108494.db2.gz MQWAFJWTQOLTFJ-RHSMWYFYSA-N 2 1 334.464 1.003 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[C@@H](C)O1 ZINC000355483087 150287032 /nfs/dbraw/zinc/28/70/32/150287032.db2.gz RILHIUAEJYPSTL-ARFHVFGLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417032047 304362875 /nfs/dbraw/zinc/36/28/75/304362875.db2.gz BTRIMFGYKZVYHE-YJBOKZPZSA-N 2 1 345.491 1.234 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417038034 304364592 /nfs/dbraw/zinc/36/45/92/304364592.db2.gz UHWNQLVJEVQEAU-RBUKOAKNSA-N 2 1 342.487 1.686 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCNC[C@](C)(F)C2)C1 ZINC000417040985 304365109 /nfs/dbraw/zinc/36/51/09/304365109.db2.gz VYFSFVPYISEYEM-UXLLHSPISA-N 2 1 328.476 1.697 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000417040985 304365111 /nfs/dbraw/zinc/36/51/11/304365111.db2.gz VYFSFVPYISEYEM-UXLLHSPISA-N 2 1 328.476 1.697 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000417040985 304365112 /nfs/dbraw/zinc/36/51/12/304365112.db2.gz VYFSFVPYISEYEM-UXLLHSPISA-N 2 1 328.476 1.697 20 0 EDADMP CC(C)[NH+](CCN(C)Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)C ZINC000356999308 150883557 /nfs/dbraw/zinc/88/35/57/150883557.db2.gz PMXWQDKMKURUEZ-UHFFFAOYSA-N 2 1 348.539 1.779 20 0 EDADMP CSC1(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC[NH+](C)CC1 ZINC000357856900 151174335 /nfs/dbraw/zinc/17/43/35/151174335.db2.gz CFAJMZWGNLMWPR-UONOGXRCSA-N 2 1 340.537 1.738 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000357970938 151215853 /nfs/dbraw/zinc/21/58/53/151215853.db2.gz DUCJDWLBABRADB-HZPDHXFCSA-N 2 1 340.512 1.214 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000358017724 151236297 /nfs/dbraw/zinc/23/62/97/151236297.db2.gz IJPRFVTVXGHBFD-PKOBYXMFSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000358073265 151260384 /nfs/dbraw/zinc/26/03/84/151260384.db2.gz BKMSVTMXJAEZMX-IEBWSBKVSA-N 2 1 331.460 1.224 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000358073265 151260387 /nfs/dbraw/zinc/26/03/87/151260387.db2.gz BKMSVTMXJAEZMX-IEBWSBKVSA-N 2 1 331.460 1.224 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000358073265 151260390 /nfs/dbraw/zinc/26/03/90/151260390.db2.gz BKMSVTMXJAEZMX-IEBWSBKVSA-N 2 1 331.460 1.224 20 0 EDADMP CC1=CC[NH+](CCNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358183827 151297115 /nfs/dbraw/zinc/29/71/15/151297115.db2.gz FTELVTWFXRIMGK-CALCHBBNSA-N 2 1 338.496 1.437 20 0 EDADMP CC1=CC[N@H+](CCNC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358183827 151297116 /nfs/dbraw/zinc/29/71/16/151297116.db2.gz FTELVTWFXRIMGK-CALCHBBNSA-N 2 1 338.496 1.437 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358183827 151297118 /nfs/dbraw/zinc/29/71/18/151297118.db2.gz FTELVTWFXRIMGK-CALCHBBNSA-N 2 1 338.496 1.437 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@@H]1C ZINC000358267871 151321928 /nfs/dbraw/zinc/32/19/28/151321928.db2.gz SGUJNLIDENQYRG-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000358505808 151398779 /nfs/dbraw/zinc/39/87/79/151398779.db2.gz SOKBCQYEFPUJFX-MRXNPFEDSA-N 2 1 342.528 1.717 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000417113657 304373519 /nfs/dbraw/zinc/37/35/19/304373519.db2.gz NSELSVYDIKMJPU-GUYCJALGSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000417113657 304373521 /nfs/dbraw/zinc/37/35/21/304373521.db2.gz NSELSVYDIKMJPU-GUYCJALGSA-N 2 1 336.505 1.875 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000360401185 152022670 /nfs/dbraw/zinc/02/26/70/152022670.db2.gz MLLBTXDOVSJDIV-HXUWFJFHSA-N 2 1 331.504 1.958 20 0 EDADMP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000360401185 152022674 /nfs/dbraw/zinc/02/26/74/152022674.db2.gz MLLBTXDOVSJDIV-HXUWFJFHSA-N 2 1 331.504 1.958 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000370129776 155338802 /nfs/dbraw/zinc/33/88/02/155338802.db2.gz NSCFPWMZBHKBAD-BBWFWOEESA-N 2 1 347.463 1.229 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000370129776 155338806 /nfs/dbraw/zinc/33/88/06/155338806.db2.gz NSCFPWMZBHKBAD-BBWFWOEESA-N 2 1 347.463 1.229 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000360797139 152209708 /nfs/dbraw/zinc/20/97/08/152209708.db2.gz IOPXDFSDNOSONG-INIZCTEOSA-N 2 1 342.528 1.641 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000360888665 152242547 /nfs/dbraw/zinc/24/25/47/152242547.db2.gz NJDQEIHJQJUYAH-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000360888665 152242549 /nfs/dbraw/zinc/24/25/49/152242549.db2.gz NJDQEIHJQJUYAH-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000360897790 152245912 /nfs/dbraw/zinc/24/59/12/152245912.db2.gz OUGOEMFHRYZGHT-LPHOPBHVSA-N 2 1 344.503 1.785 20 0 EDADMP O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000361105500 152306879 /nfs/dbraw/zinc/30/68/79/152306879.db2.gz GZSUCOCQDHAXAD-GUDVDZBRSA-N 2 1 343.471 1.392 20 0 EDADMP O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000361105500 152306880 /nfs/dbraw/zinc/30/68/80/152306880.db2.gz GZSUCOCQDHAXAD-GUDVDZBRSA-N 2 1 343.471 1.392 20 0 EDADMP C[C@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)/C=C/C[NH+](C)C ZINC000361107519 152307879 /nfs/dbraw/zinc/30/78/79/152307879.db2.gz QADBSOYETXOUDF-HKSATOIVSA-N 2 1 345.487 1.852 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCN2CCOCC2(C)C)[C@H](C)C1 ZINC000361164612 152324184 /nfs/dbraw/zinc/32/41/84/152324184.db2.gz RKEADWZAODFQFJ-QZTJIDSGSA-N 2 1 341.540 1.824 20 0 EDADMP CN(CC[N@H+]1CCCOCC1)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000361381499 152377630 /nfs/dbraw/zinc/37/76/30/152377630.db2.gz OAZXQUBBZMPJJR-RTBURBONSA-N 2 1 332.492 1.729 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000361381499 152377631 /nfs/dbraw/zinc/37/76/31/152377631.db2.gz OAZXQUBBZMPJJR-RTBURBONSA-N 2 1 332.492 1.729 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000361381499 152377634 /nfs/dbraw/zinc/37/76/34/152377634.db2.gz OAZXQUBBZMPJJR-RTBURBONSA-N 2 1 332.492 1.729 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000363683799 153028440 /nfs/dbraw/zinc/02/84/40/153028440.db2.gz UFYZILINSCRPKE-YESZJQIVSA-N 2 1 336.480 1.119 20 0 EDADMP Cc1c(CNC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cnn1C ZINC000363813163 153063334 /nfs/dbraw/zinc/06/33/34/153063334.db2.gz FOCQVHDZBUHKCJ-KRWDZBQOSA-N 2 1 348.495 1.038 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[NH+]1CCCCC1 ZINC000364008442 153121381 /nfs/dbraw/zinc/12/13/81/153121381.db2.gz ISIHYTCLQRIENB-KZNAEPCWSA-N 2 1 337.508 1.555 20 0 EDADMP CN1CC[NH+](C2(C(=O)NCC[NH+]3CCCCCC3)CCCC2)CC1 ZINC000364341295 153210157 /nfs/dbraw/zinc/21/01/57/153210157.db2.gz RMQZXTXGZDIDDN-UHFFFAOYSA-N 2 1 336.524 1.539 20 0 EDADMP C[NH+]1CCN(C2(C(=O)NCC[NH+]3CCCCCC3)CCCC2)CC1 ZINC000364341295 153210160 /nfs/dbraw/zinc/21/01/60/153210160.db2.gz RMQZXTXGZDIDDN-UHFFFAOYSA-N 2 1 336.524 1.539 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000364531647 153260421 /nfs/dbraw/zinc/26/04/21/153260421.db2.gz QEUGPIPGNOGKSC-CQSZACIVSA-N 2 1 336.480 1.723 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417226277 304385966 /nfs/dbraw/zinc/38/59/66/304385966.db2.gz ZKMRBOCVQZLGNK-DZJNRPSUSA-N 2 1 328.460 1.683 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)NCC3=CC[N@@H+](C)CC3)CC2)nc1 ZINC000367699866 154235857 /nfs/dbraw/zinc/23/58/57/154235857.db2.gz SBNMMKYBYXOEJQ-UHFFFAOYSA-N 2 1 343.475 1.920 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)NCC3=CC[N@H+](C)CC3)CC2)[nH+]c1 ZINC000367699866 154235861 /nfs/dbraw/zinc/23/58/61/154235861.db2.gz SBNMMKYBYXOEJQ-UHFFFAOYSA-N 2 1 343.475 1.920 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CCCO1 ZINC000368067170 154394499 /nfs/dbraw/zinc/39/44/99/154394499.db2.gz VEPPVDNRPQGISU-WMZOPIPTSA-N 2 1 338.496 1.225 20 0 EDADMP C[NH+](C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NCC[N@@H+](C)C1CC1 ZINC000369437872 155033252 /nfs/dbraw/zinc/03/32/52/155033252.db2.gz QNNCHVGCFYECDV-ZWKOTPCHSA-N 2 1 330.476 1.998 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[NH+](C2CCOCC2)CC1 ZINC000369520743 155068636 /nfs/dbraw/zinc/06/86/36/155068636.db2.gz HCPLNMFRTNUDGP-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369520743 155068638 /nfs/dbraw/zinc/06/86/38/155068638.db2.gz HCPLNMFRTNUDGP-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000369520743 155068641 /nfs/dbraw/zinc/06/86/41/155068641.db2.gz HCPLNMFRTNUDGP-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000245880909 292335327 /nfs/dbraw/zinc/33/53/27/292335327.db2.gz BCORLUTYPXCFFC-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000245880909 292335329 /nfs/dbraw/zinc/33/53/29/292335329.db2.gz BCORLUTYPXCFFC-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000245880909 292335330 /nfs/dbraw/zinc/33/53/30/292335330.db2.gz BCORLUTYPXCFFC-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000371812387 156115993 /nfs/dbraw/zinc/11/59/93/156115993.db2.gz GBOYWONDXKFMSK-ALOPSCKCSA-N 2 1 338.496 1.412 20 0 EDADMP C[N@H+](CCNC(=O)NC[C@H]1C[NH+]2CCCC[C@H]2CO1)C1CCCC1 ZINC000372343053 156344865 /nfs/dbraw/zinc/34/48/65/156344865.db2.gz ASKDOAXAXKRLOR-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@H]1C[NH+]2CCCC[C@H]2CO1)C1CCCC1 ZINC000372343053 156344871 /nfs/dbraw/zinc/34/48/71/156344871.db2.gz ASKDOAXAXKRLOR-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)C1CCCC1 ZINC000372343053 156344874 /nfs/dbraw/zinc/34/48/74/156344874.db2.gz ASKDOAXAXKRLOR-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)C1CCCC1 ZINC000372343053 156344878 /nfs/dbraw/zinc/34/48/78/156344878.db2.gz ASKDOAXAXKRLOR-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000575174690 306666017 /nfs/dbraw/zinc/66/60/17/306666017.db2.gz OQOLNHQVVDKWQR-QGZVFWFLSA-N 2 1 326.868 1.944 20 0 EDADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000374330664 157248591 /nfs/dbraw/zinc/24/85/91/157248591.db2.gz XAITYTLSWLNTLY-KBPBESRZSA-N 2 1 347.463 1.633 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000374333669 157250207 /nfs/dbraw/zinc/25/02/07/157250207.db2.gz VUMFXSXLVXNODO-GOSISDBHSA-N 2 1 336.524 1.204 20 0 EDADMP COc1ccc([C@@H]2[C@@H](CNC(=O)[C@H]3CSC[NH2+]3)CCC[N@@H+]2C)cc1 ZINC000374460735 157298338 /nfs/dbraw/zinc/29/83/38/157298338.db2.gz IWOXIIDKQWEJET-DJIMGWMZSA-N 2 1 349.500 1.857 20 0 EDADMP COc1ccc([C@@H]2[C@@H](CNC(=O)[C@H]3CSC[NH2+]3)CCC[N@H+]2C)cc1 ZINC000374460735 157298339 /nfs/dbraw/zinc/29/83/39/157298339.db2.gz IWOXIIDKQWEJET-DJIMGWMZSA-N 2 1 349.500 1.857 20 0 EDADMP C[C@H](CN1CCOCC1)[N@@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000374754468 157388094 /nfs/dbraw/zinc/38/80/94/157388094.db2.gz YLAMBQVQEKWVSM-GOSISDBHSA-N 2 1 346.519 1.741 20 0 EDADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000378204049 158107893 /nfs/dbraw/zinc/10/78/93/158107893.db2.gz SAOWVQAYLJCTHD-ZIAGYGMSSA-N 2 1 335.452 1.705 20 0 EDADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000378204049 158107895 /nfs/dbraw/zinc/10/78/95/158107895.db2.gz SAOWVQAYLJCTHD-ZIAGYGMSSA-N 2 1 335.452 1.705 20 0 EDADMP Cc1[nH+]c(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c2n1CCCC2 ZINC000378434349 158172674 /nfs/dbraw/zinc/17/26/74/158172674.db2.gz RIZADVGXRUFYOI-DZGCQCFKSA-N 2 1 331.464 1.906 20 0 EDADMP Cc1[nH+]c(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c2n1CCCC2 ZINC000378434349 158172677 /nfs/dbraw/zinc/17/26/77/158172677.db2.gz RIZADVGXRUFYOI-DZGCQCFKSA-N 2 1 331.464 1.906 20 0 EDADMP C[N@@H+]1CCN(CC[NH2+]CN2CCC(=O)CC2)[C@@H](c2ccccc2)C1 ZINC000378640717 158224630 /nfs/dbraw/zinc/22/46/30/158224630.db2.gz WJWQNCQLPRXECG-LJQANCHMSA-N 2 1 330.476 1.187 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]CN2CCC(=O)CC2)[C@@H](c2ccccc2)C1 ZINC000378640717 158224631 /nfs/dbraw/zinc/22/46/31/158224631.db2.gz WJWQNCQLPRXECG-LJQANCHMSA-N 2 1 330.476 1.187 20 0 EDADMP CC(C)Cn1nccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000576108903 306678190 /nfs/dbraw/zinc/67/81/90/306678190.db2.gz FFBKKVCCJWMMAV-UHFFFAOYSA-N 2 1 342.447 1.938 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000352321783 162115612 /nfs/dbraw/zinc/11/56/12/162115612.db2.gz BTYNJIJSBWRDEL-INIZCTEOSA-N 2 1 327.494 1.551 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000352506871 162219303 /nfs/dbraw/zinc/21/93/03/162219303.db2.gz AUAGNXSFMAVEIT-IBGZPJMESA-N 2 1 344.503 1.534 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000352506871 162219307 /nfs/dbraw/zinc/21/93/07/162219307.db2.gz AUAGNXSFMAVEIT-IBGZPJMESA-N 2 1 344.503 1.534 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000352559730 162254420 /nfs/dbraw/zinc/25/44/20/162254420.db2.gz DKHIKHFRGITROZ-OAHLLOKOSA-N 2 1 328.482 1.185 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000352559730 162254425 /nfs/dbraw/zinc/25/44/25/162254425.db2.gz DKHIKHFRGITROZ-OAHLLOKOSA-N 2 1 328.482 1.185 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3ccc(C=O)[nH]3)CC2)CC1 ZINC000364230696 162321078 /nfs/dbraw/zinc/32/10/78/162321078.db2.gz UYPCYUMPDKLQRL-UHFFFAOYSA-N 2 1 346.475 1.753 20 0 EDADMP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000366430519 162382212 /nfs/dbraw/zinc/38/22/12/162382212.db2.gz ILVPGGLRLXHAHW-HOTGVXAUSA-N 2 1 329.510 1.361 20 0 EDADMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000366430519 162382218 /nfs/dbraw/zinc/38/22/18/162382218.db2.gz ILVPGGLRLXHAHW-HOTGVXAUSA-N 2 1 329.510 1.361 20 0 EDADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000458403006 287188953 /nfs/dbraw/zinc/18/89/53/287188953.db2.gz BWSILSMQJJPRHK-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000458403006 287188954 /nfs/dbraw/zinc/18/89/54/287188954.db2.gz BWSILSMQJJPRHK-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000080674921 287308660 /nfs/dbraw/zinc/30/86/60/287308660.db2.gz ODTWLFAQNWZIMU-QGZVFWFLSA-N 2 1 341.544 1.430 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000274919047 268238286 /nfs/dbraw/zinc/23/82/86/268238286.db2.gz JBIUNGRTCZVIEQ-QAPCUYQASA-N 2 1 347.503 1.689 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276142755 268399962 /nfs/dbraw/zinc/39/99/62/268399962.db2.gz ORZXYTAIVVBEDC-UHFFFAOYSA-N 2 1 329.448 1.795 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nncn2-c2ccccc2)CC1 ZINC000277884609 273232438 /nfs/dbraw/zinc/23/24/38/273232438.db2.gz ZKOUCXYEOKEZBX-INIZCTEOSA-N 2 1 343.475 1.792 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nncn2-c2ccccc2)CC1 ZINC000277884609 273232439 /nfs/dbraw/zinc/23/24/39/273232439.db2.gz ZKOUCXYEOKEZBX-INIZCTEOSA-N 2 1 343.475 1.792 20 0 EDADMP C[C@@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000278949818 273275378 /nfs/dbraw/zinc/27/53/78/273275378.db2.gz GZHMSAMLPPWFOO-GOEBONIOSA-N 2 1 341.459 1.737 20 0 EDADMP COCC[NH+](CCOC)C1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000375795336 274024735 /nfs/dbraw/zinc/02/47/35/274024735.db2.gz XADQYQNJAUTXHL-UXHICEINSA-N 2 1 348.487 1.704 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000284168052 274103267 /nfs/dbraw/zinc/10/32/67/274103267.db2.gz USCQYZKVCLLGSL-IRXDYDNUSA-N 2 1 346.475 1.006 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1cncs1 ZINC000339655972 276370842 /nfs/dbraw/zinc/37/08/42/276370842.db2.gz YQBJKRYZZAHGNV-OAHLLOKOSA-N 2 1 338.521 1.950 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccccn1 ZINC000080603654 276371023 /nfs/dbraw/zinc/37/10/23/276371023.db2.gz HQKYJSOULAMWDU-QGZVFWFLSA-N 2 1 333.480 1.639 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)[C@H]2CCC[C@@H]21 ZINC000353596379 277171862 /nfs/dbraw/zinc/17/18/62/277171862.db2.gz QHNRLOSRMKKTGG-VDERGJSUSA-N 2 1 331.464 1.007 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417024467 277297793 /nfs/dbraw/zinc/29/77/93/277297793.db2.gz QKFIBGSTUVHILF-AEFFLSMTSA-N 2 1 347.507 1.272 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000417024467 277297795 /nfs/dbraw/zinc/29/77/95/277297795.db2.gz QKFIBGSTUVHILF-AEFFLSMTSA-N 2 1 347.507 1.272 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000417024467 277297796 /nfs/dbraw/zinc/29/77/96/277297796.db2.gz QKFIBGSTUVHILF-AEFFLSMTSA-N 2 1 347.507 1.272 20 0 EDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@@H]1C ZINC000354331185 277326160 /nfs/dbraw/zinc/32/61/60/277326160.db2.gz QIQFMLUIVIOKHU-QXSJWSMHSA-N 2 1 339.480 1.141 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000186131508 277522814 /nfs/dbraw/zinc/52/28/14/277522814.db2.gz IBCZJYRWNJNMPQ-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000247318806 279034439 /nfs/dbraw/zinc/03/44/39/279034439.db2.gz KYAVHVMQGIZLOJ-ULQDDVLXSA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](O)c1ccccc1 ZINC000270738934 279302733 /nfs/dbraw/zinc/30/27/33/279302733.db2.gz AWJBMANPMTYEPX-MSOLQXFVSA-N 2 1 333.476 1.595 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000343496431 279353286 /nfs/dbraw/zinc/35/32/86/279353286.db2.gz VPJBBNZXBSAUEV-QGZVFWFLSA-N 2 1 332.492 1.261 20 0 EDADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(-n2ccnn2)c1 ZINC000287140881 288165049 /nfs/dbraw/zinc/16/50/49/288165049.db2.gz SERRCMSWCJMZKP-MRXNPFEDSA-N 2 1 342.491 1.944 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000236664179 280250677 /nfs/dbraw/zinc/25/06/77/280250677.db2.gz WWPQSUDFWBMCPA-IRXDYDNUSA-N 2 1 333.501 1.848 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000236664179 280250678 /nfs/dbraw/zinc/25/06/78/280250678.db2.gz WWPQSUDFWBMCPA-IRXDYDNUSA-N 2 1 333.501 1.848 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CCC[N@H+]1C ZINC000345745558 289051649 /nfs/dbraw/zinc/05/16/49/289051649.db2.gz KYCAYURIKQVLEP-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP CS[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1[NH+](C)C ZINC000291828780 289191159 /nfs/dbraw/zinc/19/11/59/289191159.db2.gz DOLKZNUPQQNGPR-LSDHHAIUSA-N 2 1 338.477 1.388 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000292489503 289361914 /nfs/dbraw/zinc/36/19/14/289361914.db2.gz OBRJIYWUXQCFEV-KSZLIROESA-N 2 1 329.444 1.098 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000292489503 289361918 /nfs/dbraw/zinc/36/19/18/289361918.db2.gz OBRJIYWUXQCFEV-KSZLIROESA-N 2 1 329.444 1.098 20 0 EDADMP [NH3+]C[C@@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000417851929 295241381 /nfs/dbraw/zinc/24/13/81/295241381.db2.gz YYYINCNSWSFPFB-DAWZGUTISA-N 2 1 330.476 1.062 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])c2)C1 ZINC000422886882 295257298 /nfs/dbraw/zinc/25/72/98/295257298.db2.gz JWEJQTLNVCLWOL-IPMKNSEASA-N 3 1 344.503 1.601 20 0 EDADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000333839719 295302866 /nfs/dbraw/zinc/30/28/66/295302866.db2.gz KXOJUMZXPGMHDT-MGPQQGTHSA-N 2 1 349.397 1.368 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000417324023 295411444 /nfs/dbraw/zinc/41/14/44/295411444.db2.gz ZMRDNCBPSLICTL-GOEBONIOSA-N 2 1 334.464 1.691 20 0 EDADMP Cc1ccccc1CN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000372861761 447321839 /nfs/dbraw/zinc/32/18/39/447321839.db2.gz YOHLGKURFIUHER-IBGZPJMESA-N 2 1 342.487 1.029 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000372861761 447321851 /nfs/dbraw/zinc/32/18/51/447321851.db2.gz YOHLGKURFIUHER-IBGZPJMESA-N 2 1 342.487 1.029 20 0 EDADMP COC[C@]1(C)CC[N@@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000296678510 303331286 /nfs/dbraw/zinc/33/12/86/303331286.db2.gz LDNVHVXFQAGUBW-HXUWFJFHSA-N 2 1 345.487 1.689 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458364993 447327465 /nfs/dbraw/zinc/32/74/65/447327465.db2.gz KNPQAXSGLPWURX-OAHLLOKOSA-N 2 1 326.485 1.271 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000414875739 447338913 /nfs/dbraw/zinc/33/89/13/447338913.db2.gz JKYWYUGYLHICSI-OAHLLOKOSA-N 2 1 346.475 1.581 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000423329721 304892533 /nfs/dbraw/zinc/89/25/33/304892533.db2.gz NDVPQMAZDQVZMF-CZUORRHYSA-N 2 1 325.478 1.635 20 0 EDADMP [NH3+]C1(CNC(=O)CC2CC[NH2+]CC2)CCN(Cc2ccccc2)CC1 ZINC000424038366 304926001 /nfs/dbraw/zinc/92/60/01/304926001.db2.gz LKLQYYYDTMJOHX-UHFFFAOYSA-N 2 1 344.503 1.486 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000429376694 305029386 /nfs/dbraw/zinc/02/93/86/305029386.db2.gz KIAASTPUIHTYPR-SJORKVTESA-N 2 1 336.524 1.345 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000429376694 305029387 /nfs/dbraw/zinc/02/93/87/305029387.db2.gz KIAASTPUIHTYPR-SJORKVTESA-N 2 1 336.524 1.345 20 0 EDADMP O=C([C@H]1CCC[N@@H+](CCOC2CCCCCC2)C1)N1CC[NH2+]CC1 ZINC000430612345 305058967 /nfs/dbraw/zinc/05/89/67/305058967.db2.gz SBZKICKUERTTCC-KRWDZBQOSA-N 2 1 337.508 1.870 20 0 EDADMP O=C([C@@H]1CCC[N@H+]([C@H]2CCc3ccc(F)cc32)C1)N1CC[NH2+]CC1 ZINC000430615950 305059145 /nfs/dbraw/zinc/05/91/45/305059145.db2.gz DTVVBSZIIDNKTH-QAPCUYQASA-N 2 1 331.435 1.957 20 0 EDADMP CCc1cccc(OCC[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430624755 305059764 /nfs/dbraw/zinc/05/97/64/305059764.db2.gz PKMKMWPWZINMNE-GOSISDBHSA-N 2 1 345.487 1.772 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])[NH+]1CCOCC1 ZINC000430749487 305063968 /nfs/dbraw/zinc/06/39/68/305063968.db2.gz VMUKIEYRRNIAQH-BBWFWOEESA-N 2 1 325.497 1.757 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000430880202 305066824 /nfs/dbraw/zinc/06/68/24/305066824.db2.gz SEPNZNOZWFORBU-HZPDHXFCSA-N 2 1 344.459 1.465 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430934534 305068932 /nfs/dbraw/zinc/06/89/32/305068932.db2.gz PGGDJABZGGPBAI-RYRKJORJSA-N 2 1 330.476 1.393 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430934534 305068933 /nfs/dbraw/zinc/06/89/33/305068933.db2.gz PGGDJABZGGPBAI-RYRKJORJSA-N 2 1 330.476 1.393 20 0 EDADMP COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000430949506 305070156 /nfs/dbraw/zinc/07/01/56/305070156.db2.gz CSQILAKCXZTJED-HOCLYGCPSA-N 2 1 347.459 1.648 20 0 EDADMP COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000430949506 305070157 /nfs/dbraw/zinc/07/01/57/305070157.db2.gz CSQILAKCXZTJED-HOCLYGCPSA-N 2 1 347.459 1.648 20 0 EDADMP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]CCCn2cc[nH+]c2C)CC(=O)N1C ZINC000431932622 305084672 /nfs/dbraw/zinc/08/46/72/305084672.db2.gz ACWDAYZXMVDRES-CRAIPNDOSA-N 2 1 344.463 1.494 20 0 EDADMP C[NH+](C)Cc1ccccc1CNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433148772 305101783 /nfs/dbraw/zinc/10/17/83/305101783.db2.gz BVXYEMNYYXNJIR-UHFFFAOYSA-N 2 1 332.492 1.568 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433328580 305105816 /nfs/dbraw/zinc/10/58/16/305105816.db2.gz AMVLZWYMXZTNHB-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433328580 305105817 /nfs/dbraw/zinc/10/58/17/305105817.db2.gz AMVLZWYMXZTNHB-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433328580 305105818 /nfs/dbraw/zinc/10/58/18/305105818.db2.gz AMVLZWYMXZTNHB-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435235362 305137511 /nfs/dbraw/zinc/13/75/11/305137511.db2.gz DJGOIROOCQPGBU-RBUKOAKNSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435235362 305137512 /nfs/dbraw/zinc/13/75/12/305137512.db2.gz DJGOIROOCQPGBU-RBUKOAKNSA-N 2 1 343.471 1.630 20 0 EDADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000435506011 305141544 /nfs/dbraw/zinc/14/15/44/305141544.db2.gz FWSDETHHJJYKIO-ZIAGYGMSSA-N 2 1 336.484 1.548 20 0 EDADMP COc1ccc(OCCC[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436058913 305151607 /nfs/dbraw/zinc/15/16/07/305151607.db2.gz MDACIVUKNGDHLU-INIZCTEOSA-N 2 1 349.475 1.784 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC000436294401 305155484 /nfs/dbraw/zinc/15/54/84/305155484.db2.gz OPIGVLIEDGYIQW-DZGCQCFKSA-N 2 1 343.468 1.519 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)CC[N@H+]1C ZINC000436294401 305155485 /nfs/dbraw/zinc/15/54/85/305155485.db2.gz OPIGVLIEDGYIQW-DZGCQCFKSA-N 2 1 343.468 1.519 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000442135127 305225803 /nfs/dbraw/zinc/22/58/03/305225803.db2.gz TWDMXMUNJISYJP-BBRMVZONSA-N 2 1 332.448 1.286 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCCOCC1 ZINC000446647277 305268503 /nfs/dbraw/zinc/26/85/03/305268503.db2.gz ZTFYIYWEFOAWJD-QGZVFWFLSA-N 2 1 340.512 1.518 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000446647277 305268504 /nfs/dbraw/zinc/26/85/04/305268504.db2.gz ZTFYIYWEFOAWJD-QGZVFWFLSA-N 2 1 340.512 1.518 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000446647277 305268505 /nfs/dbraw/zinc/26/85/05/305268505.db2.gz ZTFYIYWEFOAWJD-QGZVFWFLSA-N 2 1 340.512 1.518 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448260480 305294735 /nfs/dbraw/zinc/29/47/35/305294735.db2.gz LZIUMTZUNIJKSK-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448260480 305294736 /nfs/dbraw/zinc/29/47/36/305294736.db2.gz LZIUMTZUNIJKSK-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448262286 305295017 /nfs/dbraw/zinc/29/50/17/305295017.db2.gz WJJOQYDTWDJWCF-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448262286 305295018 /nfs/dbraw/zinc/29/50/18/305295018.db2.gz WJJOQYDTWDJWCF-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC[C@H]3CCCO3)C2)CC1 ZINC000451525299 305351106 /nfs/dbraw/zinc/35/11/06/305351106.db2.gz FXIPISOLTLETOW-RTBURBONSA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC[C@H]3CCCO3)C2)CC1 ZINC000451525299 305351107 /nfs/dbraw/zinc/35/11/07/305351107.db2.gz FXIPISOLTLETOW-RTBURBONSA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)CC1 ZINC000451525299 305351108 /nfs/dbraw/zinc/35/11/08/305351108.db2.gz FXIPISOLTLETOW-RTBURBONSA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC[C@H]3CCCO3)C2)CC1 ZINC000451525299 305351109 /nfs/dbraw/zinc/35/11/09/305351109.db2.gz FXIPISOLTLETOW-RTBURBONSA-N 2 1 337.508 1.822 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](CCCO)C1)c1ccccc1 ZINC000452126841 305384246 /nfs/dbraw/zinc/38/42/46/305384246.db2.gz VAINENCEHFZXKY-FUHWJXTLSA-N 2 1 333.476 1.500 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000452349414 305391304 /nfs/dbraw/zinc/39/13/04/305391304.db2.gz MRFBDBHYNQWRLP-OALUTQOASA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000452349414 305391305 /nfs/dbraw/zinc/39/13/05/305391305.db2.gz MRFBDBHYNQWRLP-OALUTQOASA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000452349414 305391306 /nfs/dbraw/zinc/39/13/06/305391306.db2.gz MRFBDBHYNQWRLP-OALUTQOASA-N 2 1 345.487 1.614 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C[C@H](C)[N@H+]1CCO ZINC000456253576 447350620 /nfs/dbraw/zinc/35/06/20/447350620.db2.gz VFORITYTLGKYNH-JZXOWHBKSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C[C@H](C)[N@@H+]1CCO ZINC000456253576 447350626 /nfs/dbraw/zinc/35/06/26/447350626.db2.gz VFORITYTLGKYNH-JZXOWHBKSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H](C)[NH+]1CCO ZINC000456253576 447350635 /nfs/dbraw/zinc/35/06/35/447350635.db2.gz VFORITYTLGKYNH-JZXOWHBKSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H](C)[NH+]1CCO ZINC000456253576 447350643 /nfs/dbraw/zinc/35/06/43/447350643.db2.gz VFORITYTLGKYNH-JZXOWHBKSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1nn(C)cc1Cl ZINC000665021737 453544347 /nfs/dbraw/zinc/54/43/47/453544347.db2.gz BMDNCFHPHLMNBA-LBPRGKRZSA-N 2 1 344.891 1.145 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1nn(C)cc1Cl ZINC000665021737 453544352 /nfs/dbraw/zinc/54/43/52/453544352.db2.gz BMDNCFHPHLMNBA-LBPRGKRZSA-N 2 1 344.891 1.145 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cn(C)nc1C ZINC000448854378 447353811 /nfs/dbraw/zinc/35/38/11/447353811.db2.gz UTYXLYZRYUEDAZ-QGZVFWFLSA-N 2 1 335.496 1.146 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419699712 447357324 /nfs/dbraw/zinc/35/73/24/447357324.db2.gz RKSQVJILLGWPGL-HNNXBMFYSA-N 2 1 340.512 1.056 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000414913811 447354832 /nfs/dbraw/zinc/35/48/32/447354832.db2.gz WXOOQGCAYJMDNN-WQVCFCJDSA-N 2 1 330.432 1.340 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000516624270 305739039 /nfs/dbraw/zinc/73/90/39/305739039.db2.gz UYKOALVNKDVFTJ-UHFFFAOYSA-N 2 1 340.383 1.814 20 0 EDADMP O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000519119002 305766576 /nfs/dbraw/zinc/76/65/76/305766576.db2.gz YJYMGSSGRXYAED-GVDBMIGSSA-N 2 1 338.496 1.461 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000414933559 447362491 /nfs/dbraw/zinc/36/24/91/447362491.db2.gz SAAMSVXBEHAFAD-QGZVFWFLSA-N 2 1 344.459 1.431 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000414933559 447362498 /nfs/dbraw/zinc/36/24/98/447362498.db2.gz SAAMSVXBEHAFAD-QGZVFWFLSA-N 2 1 344.459 1.431 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000545176403 306081230 /nfs/dbraw/zinc/08/12/30/306081230.db2.gz KACVIRSDRVFRLY-IIDMSEBBSA-N 2 1 340.512 1.109 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000546590469 306093814 /nfs/dbraw/zinc/09/38/14/306093814.db2.gz BEFJAHCOHWCNCC-IBGZPJMESA-N 2 1 346.475 1.017 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000553051057 306182290 /nfs/dbraw/zinc/18/22/90/306182290.db2.gz FVAAASOLJCBLFR-MRXNPFEDSA-N 2 1 330.476 1.714 20 0 EDADMP C[C@@H]1CCC[C@@](C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)([NH+](C)C)C1 ZINC000553315189 306183822 /nfs/dbraw/zinc/18/38/22/306183822.db2.gz SITZXWLMCQQECU-LHKUQTHOSA-N 2 1 336.480 1.607 20 0 EDADMP CC[C@@H](COC)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000553477516 306185427 /nfs/dbraw/zinc/18/54/27/306185427.db2.gz BWUIDDWEERUAAA-INIZCTEOSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000553877175 306187317 /nfs/dbraw/zinc/18/73/17/306187317.db2.gz JSQYAANAXSMCIQ-SWKXRBFHSA-N 2 1 336.480 1.607 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000553877175 306187318 /nfs/dbraw/zinc/18/73/18/306187318.db2.gz JSQYAANAXSMCIQ-SWKXRBFHSA-N 2 1 336.480 1.607 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnc(C3CC3)nc2)CC1 ZINC000556128161 306208084 /nfs/dbraw/zinc/20/80/84/306208084.db2.gz OQBQSPNHHWBVAZ-UHFFFAOYSA-N 2 1 338.415 1.753 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)NC3CCCCCC3)C2)nn1 ZINC000557338907 306227553 /nfs/dbraw/zinc/22/75/53/306227553.db2.gz HQJOWXHFAJLOJC-MRXNPFEDSA-N 2 1 334.468 1.213 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)NC3CCCCCC3)C2)nn1 ZINC000557338907 306227554 /nfs/dbraw/zinc/22/75/54/306227554.db2.gz HQJOWXHFAJLOJC-MRXNPFEDSA-N 2 1 334.468 1.213 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000422146297 447372155 /nfs/dbraw/zinc/37/21/55/447372155.db2.gz URGJHHPETRRKKW-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422146297 447372164 /nfs/dbraw/zinc/37/21/64/447372164.db2.gz URGJHHPETRRKKW-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000422146297 447372168 /nfs/dbraw/zinc/37/21/68/447372168.db2.gz URGJHHPETRRKKW-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000414957463 447374188 /nfs/dbraw/zinc/37/41/88/447374188.db2.gz BPCSTQARGUPGMP-CRAIPNDOSA-N 2 1 346.475 1.762 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000414961517 447375876 /nfs/dbraw/zinc/37/58/76/447375876.db2.gz IMHXEBLFZLDDBZ-OAHLLOKOSA-N 2 1 334.464 1.538 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000458541180 447405943 /nfs/dbraw/zinc/40/59/43/447405943.db2.gz RWZYUEMBBMJGCC-DLBZAZTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000458541180 447405946 /nfs/dbraw/zinc/40/59/46/447405946.db2.gz RWZYUEMBBMJGCC-DLBZAZTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000458541180 447405950 /nfs/dbraw/zinc/40/59/50/447405950.db2.gz RWZYUEMBBMJGCC-DLBZAZTESA-N 2 1 340.512 1.110 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493960587 447419631 /nfs/dbraw/zinc/41/96/31/447419631.db2.gz MOOOPUFOXZYXEB-UHFFFAOYSA-N 2 1 331.460 1.488 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CC[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000103115707 441176181 /nfs/dbraw/zinc/17/61/81/441176181.db2.gz XVFXSHSLJIENJH-BBWFWOEESA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CC[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000103115707 441176186 /nfs/dbraw/zinc/17/61/86/441176186.db2.gz XVFXSHSLJIENJH-BBWFWOEESA-N 2 1 325.497 1.674 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000105082993 441230557 /nfs/dbraw/zinc/23/05/57/441230557.db2.gz SRWCXUFYQICNFW-KRWDZBQOSA-N 2 1 334.439 1.918 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000060161918 441233999 /nfs/dbraw/zinc/23/39/99/441233999.db2.gz YHBJIFFZZKJXGL-UHFFFAOYSA-N 2 1 332.492 1.261 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH+](C)C2CCCC2)C[C@H](C)O1 ZINC000104780661 441208442 /nfs/dbraw/zinc/20/84/42/441208442.db2.gz ZDHSTXKARUNURG-IYBDPMFKSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000104780661 441208446 /nfs/dbraw/zinc/20/84/46/441208446.db2.gz ZDHSTXKARUNURG-IYBDPMFKSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000104780661 441208449 /nfs/dbraw/zinc/20/84/49/441208449.db2.gz ZDHSTXKARUNURG-IYBDPMFKSA-N 2 1 340.512 1.659 20 0 EDADMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)[NH+]1CCc2ccccc2C1 ZINC000072886834 441273432 /nfs/dbraw/zinc/27/34/32/441273432.db2.gz KRXQKZWVOROBFJ-RBUKOAKNSA-N 2 1 345.487 1.660 20 0 EDADMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)[NH+]1CCc2ccccc2C1 ZINC000072886834 441273439 /nfs/dbraw/zinc/27/34/39/441273439.db2.gz KRXQKZWVOROBFJ-RBUKOAKNSA-N 2 1 345.487 1.660 20 0 EDADMP CC[C@@H](CNC(=O)[C@H]1C[NH+](CC)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000072886834 441273444 /nfs/dbraw/zinc/27/34/44/441273444.db2.gz KRXQKZWVOROBFJ-RBUKOAKNSA-N 2 1 345.487 1.660 20 0 EDADMP CC[C@@H](CNC(=O)[C@H]1C[NH+](CC)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000072886834 441273450 /nfs/dbraw/zinc/27/34/50/441273450.db2.gz KRXQKZWVOROBFJ-RBUKOAKNSA-N 2 1 345.487 1.660 20 0 EDADMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000081248603 441243769 /nfs/dbraw/zinc/24/37/69/441243769.db2.gz SRQFFMTYGJASFB-ROUUACIJSA-N 2 1 331.460 1.270 20 0 EDADMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000081248603 441243774 /nfs/dbraw/zinc/24/37/74/441243774.db2.gz SRQFFMTYGJASFB-ROUUACIJSA-N 2 1 331.460 1.270 20 0 EDADMP CC[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000081248603 441243778 /nfs/dbraw/zinc/24/37/78/441243778.db2.gz SRQFFMTYGJASFB-ROUUACIJSA-N 2 1 331.460 1.270 20 0 EDADMP CC[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000081248603 441243782 /nfs/dbraw/zinc/24/37/82/441243782.db2.gz SRQFFMTYGJASFB-ROUUACIJSA-N 2 1 331.460 1.270 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000081996590 441329597 /nfs/dbraw/zinc/32/95/97/441329597.db2.gz ZAGFORNKGLNQJK-QGZVFWFLSA-N 2 1 325.497 1.866 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000064657220 441388358 /nfs/dbraw/zinc/38/83/58/441388358.db2.gz BZMDKNIEMBRZKC-SOLBZPMBSA-N 2 1 339.524 1.968 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000064657220 441388359 /nfs/dbraw/zinc/38/83/59/441388359.db2.gz BZMDKNIEMBRZKC-SOLBZPMBSA-N 2 1 339.524 1.968 20 0 EDADMP C[C@H](C1CC1)[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000073779741 441353112 /nfs/dbraw/zinc/35/31/12/441353112.db2.gz OZXQJSMMJZKLMB-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H](C1CC1)[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000073779741 441353118 /nfs/dbraw/zinc/35/31/18/441353118.db2.gz OZXQJSMMJZKLMB-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000074676469 441456137 /nfs/dbraw/zinc/45/61/37/441456137.db2.gz UTQQWCQCLKAERK-QGZVFWFLSA-N 2 1 346.519 1.752 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000108549810 441463187 /nfs/dbraw/zinc/46/31/87/441463187.db2.gz VMEYEHXONUGFJT-QGZVFWFLSA-N 2 1 348.491 1.768 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108561190 441465205 /nfs/dbraw/zinc/46/52/05/441465205.db2.gz CUPYJADLOFPAFK-MSOLQXFVSA-N 2 1 332.492 1.800 20 0 EDADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCOC2)c1 ZINC000088684668 441517384 /nfs/dbraw/zinc/51/73/84/441517384.db2.gz WWTPMOFCGGLMQY-KRWDZBQOSA-N 2 1 333.432 1.226 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000066176837 441510077 /nfs/dbraw/zinc/51/00/77/441510077.db2.gz NOGLVBCHLUJZRS-HOTGVXAUSA-N 2 1 328.501 1.373 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000066176837 441510081 /nfs/dbraw/zinc/51/00/81/441510081.db2.gz NOGLVBCHLUJZRS-HOTGVXAUSA-N 2 1 328.501 1.373 20 0 EDADMP COCC(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000076493744 441651803 /nfs/dbraw/zinc/65/18/03/441651803.db2.gz FSRIBTZFQFUOJN-UHFFFAOYSA-N 2 1 333.476 1.654 20 0 EDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC[C@@H]21 ZINC000158742859 441760241 /nfs/dbraw/zinc/76/02/41/441760241.db2.gz GLMKCUFINDJOBK-CABCVRRESA-N 2 1 334.464 1.267 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC[C@@H]21 ZINC000158742859 441760246 /nfs/dbraw/zinc/76/02/46/441760246.db2.gz GLMKCUFINDJOBK-CABCVRRESA-N 2 1 334.464 1.267 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCN3C(=O)NC4(CCCC4)C3=O)CC[C@@H]21 ZINC000158742859 441760253 /nfs/dbraw/zinc/76/02/53/441760253.db2.gz GLMKCUFINDJOBK-CABCVRRESA-N 2 1 334.464 1.267 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCN3C(=O)NC4(CCCC4)C3=O)CC[C@@H]21 ZINC000158742859 441760259 /nfs/dbraw/zinc/76/02/59/441760259.db2.gz GLMKCUFINDJOBK-CABCVRRESA-N 2 1 334.464 1.267 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C(C)C)C2CCC2)C1 ZINC000077357709 441762074 /nfs/dbraw/zinc/76/20/74/441762074.db2.gz GGSZMFSPTHGJOV-QGZVFWFLSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C(C)C)C2CCC2)C1 ZINC000077357709 441762078 /nfs/dbraw/zinc/76/20/78/441762078.db2.gz GGSZMFSPTHGJOV-QGZVFWFLSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C(C)C)C2CCC2)C1 ZINC000077357709 441762079 /nfs/dbraw/zinc/76/20/79/441762079.db2.gz GGSZMFSPTHGJOV-QGZVFWFLSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116397449 441816741 /nfs/dbraw/zinc/81/67/41/441816741.db2.gz OBKSMWUBLNNDFJ-KBPBESRZSA-N 2 1 328.501 1.813 20 0 EDADMP CC[NH+](CC)CCNC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000077826596 441871645 /nfs/dbraw/zinc/87/16/45/441871645.db2.gz HQOVQYQXHIYJTK-MRXNPFEDSA-N 2 1 328.501 1.374 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000139699165 441824684 /nfs/dbraw/zinc/82/46/84/441824684.db2.gz BFMXDTLXVWUNNP-GOSISDBHSA-N 2 1 346.475 1.412 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000139699165 441824690 /nfs/dbraw/zinc/82/46/90/441824690.db2.gz BFMXDTLXVWUNNP-GOSISDBHSA-N 2 1 346.475 1.412 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000173894417 441856861 /nfs/dbraw/zinc/85/68/61/441856861.db2.gz JPVFZOZRGKQIAK-SFHVURJKSA-N 2 1 349.523 1.060 20 0 EDADMP COCc1ccccc1CNC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124030648 441905972 /nfs/dbraw/zinc/90/59/72/441905972.db2.gz YBJVFTSUASSUIF-QAPCUYQASA-N 2 1 333.476 1.864 20 0 EDADMP COCc1ccccc1CNC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124030226 441906198 /nfs/dbraw/zinc/90/61/98/441906198.db2.gz YBJVFTSUASSUIF-CRAIPNDOSA-N 2 1 333.476 1.864 20 0 EDADMP CN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000151135326 442011469 /nfs/dbraw/zinc/01/14/69/442011469.db2.gz CAJFJBSNMCFGFR-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP CN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000151135326 442011476 /nfs/dbraw/zinc/01/14/76/442011476.db2.gz CAJFJBSNMCFGFR-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn2cccnc2n1 ZINC000125589732 442032851 /nfs/dbraw/zinc/03/28/51/442032851.db2.gz QKPJAYXXCUCMDU-HNNXBMFYSA-N 2 1 344.463 1.217 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000175737000 442113380 /nfs/dbraw/zinc/11/33/80/442113380.db2.gz JWOKUVNFKRYLER-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1COCC[NH2+]1)c1cccc(OC)c1 ZINC000163965173 442187609 /nfs/dbraw/zinc/18/76/09/442187609.db2.gz KBLAPISASOKLPQ-IAGOWNOFSA-N 2 1 335.448 1.183 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000176218036 442194252 /nfs/dbraw/zinc/19/42/52/442194252.db2.gz PLZBRVHERPMMPE-UHFFFAOYSA-N 2 1 334.464 1.535 20 0 EDADMP CCC[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000121007362 442164417 /nfs/dbraw/zinc/16/44/17/442164417.db2.gz XINHGYIDAFHOJZ-QZTJIDSGSA-N 2 1 339.524 1.972 20 0 EDADMP CCC[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000121007362 442164421 /nfs/dbraw/zinc/16/44/21/442164421.db2.gz XINHGYIDAFHOJZ-QZTJIDSGSA-N 2 1 339.524 1.972 20 0 EDADMP CCC[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000121007362 442164427 /nfs/dbraw/zinc/16/44/27/442164427.db2.gz XINHGYIDAFHOJZ-QZTJIDSGSA-N 2 1 339.524 1.972 20 0 EDADMP COC1(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CC[NH2+]CC1 ZINC000165367216 442208687 /nfs/dbraw/zinc/20/86/87/442208687.db2.gz SCHQOKAEEBAUGN-ZDUSSCGKSA-N 2 1 337.489 1.380 20 0 EDADMP COC1(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CC[NH2+]CC1 ZINC000165367216 442208690 /nfs/dbraw/zinc/20/86/90/442208690.db2.gz SCHQOKAEEBAUGN-ZDUSSCGKSA-N 2 1 337.489 1.380 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000127613489 442215448 /nfs/dbraw/zinc/21/54/48/442215448.db2.gz BUFBFEGLTCUQNX-UHFFFAOYSA-N 2 1 326.400 1.810 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000127613489 442215451 /nfs/dbraw/zinc/21/54/51/442215451.db2.gz BUFBFEGLTCUQNX-UHFFFAOYSA-N 2 1 326.400 1.810 20 0 EDADMP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000127944345 442235208 /nfs/dbraw/zinc/23/52/08/442235208.db2.gz MIJUCNGUDSWHSY-HZPDHXFCSA-N 2 1 329.510 1.407 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000153196298 442266720 /nfs/dbraw/zinc/26/67/20/442266720.db2.gz QHSQZDFIDOXPEY-UHFFFAOYSA-N 2 1 338.496 1.101 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000153788785 442303713 /nfs/dbraw/zinc/30/37/13/442303713.db2.gz MMXLJFCXBDTEQM-MRXNPFEDSA-N 2 1 346.475 1.453 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000170758141 442258687 /nfs/dbraw/zinc/25/86/87/442258687.db2.gz WVTATHRAZNIBHL-UHFFFAOYSA-N 2 1 344.381 1.957 20 0 EDADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+](CCOC)CC1 ZINC000154090003 442320626 /nfs/dbraw/zinc/32/06/26/442320626.db2.gz DRESQHZGOASYIP-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+](CCOC)CC1 ZINC000154090003 442320629 /nfs/dbraw/zinc/32/06/29/442320629.db2.gz DRESQHZGOASYIP-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000177528112 442353858 /nfs/dbraw/zinc/35/38/58/442353858.db2.gz ZSROMVHKXZVVQO-MRXNPFEDSA-N 2 1 330.432 1.123 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000129427730 442315783 /nfs/dbraw/zinc/31/57/83/442315783.db2.gz LRYLPOULHJEYMR-SJORKVTESA-N 2 1 340.512 1.326 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178214528 442415704 /nfs/dbraw/zinc/41/57/04/442415704.db2.gz DXCRVQGOZSZNOT-IAGOWNOFSA-N 2 1 336.524 1.393 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)c1 ZINC000178413392 442431509 /nfs/dbraw/zinc/43/15/09/442431509.db2.gz QRORTQPTUMNXKR-AWEZNQCLSA-N 2 1 325.478 1.731 20 0 EDADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178674430 442455236 /nfs/dbraw/zinc/45/52/36/442455236.db2.gz FKCXIZWAUBLTSD-SFHVURJKSA-N 2 1 331.460 1.826 20 0 EDADMP CC[C@@]1(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCC[NH2+]1 ZINC000134565599 442495740 /nfs/dbraw/zinc/49/57/40/442495740.db2.gz RAVYCRJONJXRLC-IBGZPJMESA-N 2 1 331.460 1.667 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000178842319 442500808 /nfs/dbraw/zinc/50/08/08/442500808.db2.gz ISNJRFQZCJJNNR-PBHICJAKSA-N 2 1 333.432 1.146 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000178842319 442500815 /nfs/dbraw/zinc/50/08/15/442500815.db2.gz ISNJRFQZCJJNNR-PBHICJAKSA-N 2 1 333.432 1.146 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](C)[C@H]2C)C1 ZINC000172856567 442556856 /nfs/dbraw/zinc/55/68/56/442556856.db2.gz XXAWTZKUJJWFLH-BRWVUGGUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2C)C1 ZINC000172856567 442556860 /nfs/dbraw/zinc/55/68/60/442556860.db2.gz XXAWTZKUJJWFLH-BRWVUGGUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2C)C1 ZINC000172856567 442556865 /nfs/dbraw/zinc/55/68/65/442556865.db2.gz XXAWTZKUJJWFLH-BRWVUGGUSA-N 2 1 325.497 1.580 20 0 EDADMP CCCN(C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C1 ZINC000178900855 442519987 /nfs/dbraw/zinc/51/99/87/442519987.db2.gz IHWURFQJRKIGPS-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CCCN(C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C1 ZINC000178900855 442519990 /nfs/dbraw/zinc/51/99/90/442519990.db2.gz IHWURFQJRKIGPS-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000180023009 442530519 /nfs/dbraw/zinc/53/05/19/442530519.db2.gz IGZJIOVCDBLHEU-HLLBOEOZSA-N 2 1 345.553 1.755 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000157494748 442588950 /nfs/dbraw/zinc/58/89/50/442588950.db2.gz XEBYBTQHZARDJB-OAHLLOKOSA-N 2 1 342.447 1.754 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1F ZINC000135192390 442567184 /nfs/dbraw/zinc/56/71/84/442567184.db2.gz OCXBGZWAIHQPMG-HNNXBMFYSA-N 2 1 339.480 1.941 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000193052166 442708518 /nfs/dbraw/zinc/70/85/18/442708518.db2.gz DPUYKZJHHCVYLM-QZTJIDSGSA-N 2 1 325.497 1.632 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000193052166 442708521 /nfs/dbraw/zinc/70/85/21/442708521.db2.gz DPUYKZJHHCVYLM-QZTJIDSGSA-N 2 1 325.497 1.632 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CCO1 ZINC000246538482 442791007 /nfs/dbraw/zinc/79/10/07/442791007.db2.gz SHOHGMORLHKFCB-MGNMYUMUSA-N 2 1 335.492 1.619 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000246551945 442791780 /nfs/dbraw/zinc/79/17/80/442791780.db2.gz DFUNXEREZNJGCW-IRXDYDNUSA-N 2 1 338.496 1.082 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2=O)n(C)n1 ZINC000182339105 442758783 /nfs/dbraw/zinc/75/87/83/442758783.db2.gz MSSTYGFEXPOJFX-OAGGEKHMSA-N 2 1 331.464 1.440 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2=O)n(C)n1 ZINC000182339105 442758785 /nfs/dbraw/zinc/75/87/85/442758785.db2.gz MSSTYGFEXPOJFX-OAGGEKHMSA-N 2 1 331.464 1.440 20 0 EDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C[C@@H]2C1 ZINC000193622611 442760328 /nfs/dbraw/zinc/76/03/28/442760328.db2.gz JMQXDBRTPGNFGJ-RVKKMQEKSA-N 2 1 349.425 1.949 20 0 EDADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C[C@@H]2C1 ZINC000193622611 442760330 /nfs/dbraw/zinc/76/03/30/442760330.db2.gz JMQXDBRTPGNFGJ-RVKKMQEKSA-N 2 1 349.425 1.949 20 0 EDADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C[C@@H]2C1 ZINC000193622611 442760332 /nfs/dbraw/zinc/76/03/32/442760332.db2.gz JMQXDBRTPGNFGJ-RVKKMQEKSA-N 2 1 349.425 1.949 20 0 EDADMP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000268080588 442839142 /nfs/dbraw/zinc/83/91/42/442839142.db2.gz DBFVHWTXPNXMMO-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000268080588 442839145 /nfs/dbraw/zinc/83/91/45/442839145.db2.gz DBFVHWTXPNXMMO-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP COc1cccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)[NH+](C)C)c1 ZINC000247250414 442843911 /nfs/dbraw/zinc/84/39/11/442843911.db2.gz WDVOJWJIQFHPBW-CRAIPNDOSA-N 2 1 348.491 1.939 20 0 EDADMP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000248564533 442900210 /nfs/dbraw/zinc/90/02/10/442900210.db2.gz OHFIISGLCUAYCF-QZTJIDSGSA-N 2 1 331.460 1.344 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000248564533 442900211 /nfs/dbraw/zinc/90/02/11/442900211.db2.gz OHFIISGLCUAYCF-QZTJIDSGSA-N 2 1 331.460 1.344 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000248564533 442900213 /nfs/dbraw/zinc/90/02/13/442900213.db2.gz OHFIISGLCUAYCF-QZTJIDSGSA-N 2 1 331.460 1.344 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000248564533 442900216 /nfs/dbraw/zinc/90/02/16/442900216.db2.gz OHFIISGLCUAYCF-QZTJIDSGSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000248568885 442901161 /nfs/dbraw/zinc/90/11/61/442901161.db2.gz CGLQBDFAIQIMNN-BQFCYCMXSA-N 2 1 348.491 1.386 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194434155 442896738 /nfs/dbraw/zinc/89/67/38/442896738.db2.gz URYLBHQRUOHFGC-IEBWSBKVSA-N 2 1 348.491 1.120 20 0 EDADMP C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000247424235 442852872 /nfs/dbraw/zinc/85/28/72/442852872.db2.gz KYTZREUYFDISTO-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000247424235 442852877 /nfs/dbraw/zinc/85/28/77/442852877.db2.gz KYTZREUYFDISTO-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000247424235 442852883 /nfs/dbraw/zinc/85/28/83/442852883.db2.gz KYTZREUYFDISTO-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000247424235 442852888 /nfs/dbraw/zinc/85/28/88/442852888.db2.gz KYTZREUYFDISTO-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000194746493 442948698 /nfs/dbraw/zinc/94/86/98/442948698.db2.gz ZJNYKIBIMDCVTM-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000194746493 442948701 /nfs/dbraw/zinc/94/87/01/442948701.db2.gz ZJNYKIBIMDCVTM-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000194746493 442948716 /nfs/dbraw/zinc/94/87/16/442948716.db2.gz ZJNYKIBIMDCVTM-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000194746493 442948720 /nfs/dbraw/zinc/94/87/20/442948720.db2.gz ZJNYKIBIMDCVTM-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265898883 442962317 /nfs/dbraw/zinc/96/23/17/442962317.db2.gz MZLMMWSHWOEUSB-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265898883 442962325 /nfs/dbraw/zinc/96/23/25/442962325.db2.gz MZLMMWSHWOEUSB-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265898883 442962329 /nfs/dbraw/zinc/96/23/29/442962329.db2.gz MZLMMWSHWOEUSB-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265898883 442962331 /nfs/dbraw/zinc/96/23/31/442962331.db2.gz MZLMMWSHWOEUSB-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP C[C@H]1CN(c2ccccc2C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000298303761 318807165 /nfs/dbraw/zinc/80/71/65/318807165.db2.gz HPSHQTLVMGAWMI-WMZOPIPTSA-N 2 1 333.476 1.458 20 0 EDADMP COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCC(=O)N(C)C ZINC000268805854 443114238 /nfs/dbraw/zinc/11/42/38/443114238.db2.gz HKOXQIOKBVQUBK-GDBMZVCRSA-N 2 1 349.475 1.735 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)ccc1OCC(=O)N(C)C ZINC000268805854 443114241 /nfs/dbraw/zinc/11/42/41/443114241.db2.gz HKOXQIOKBVQUBK-GDBMZVCRSA-N 2 1 349.475 1.735 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCC(=O)N(C)C ZINC000268805854 443114244 /nfs/dbraw/zinc/11/42/44/443114244.db2.gz HKOXQIOKBVQUBK-GDBMZVCRSA-N 2 1 349.475 1.735 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCC(=O)N(C)C ZINC000268805854 443114247 /nfs/dbraw/zinc/11/42/47/443114247.db2.gz HKOXQIOKBVQUBK-GDBMZVCRSA-N 2 1 349.475 1.735 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@](C)(O)C(C)C)CC2)C1 ZINC000185002651 443115916 /nfs/dbraw/zinc/11/59/16/443115916.db2.gz WTJKRBRKQJJDLE-ROUUACIJSA-N 2 1 327.513 1.120 20 0 EDADMP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266503821 443149130 /nfs/dbraw/zinc/14/91/30/443149130.db2.gz ZVIZRLKSMRGKHQ-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266503821 443149136 /nfs/dbraw/zinc/14/91/36/443149136.db2.gz ZVIZRLKSMRGKHQ-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@@H]1CC[NH+](C)C1)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266503821 443149141 /nfs/dbraw/zinc/14/91/41/443149141.db2.gz ZVIZRLKSMRGKHQ-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@@H]1CC[NH+](C)C1)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266503821 443149144 /nfs/dbraw/zinc/14/91/44/443149144.db2.gz ZVIZRLKSMRGKHQ-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP C[C@H](O)CC[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266739785 443225478 /nfs/dbraw/zinc/22/54/78/443225478.db2.gz NBQYOZDWMPYLSO-BQFCYCMXSA-N 2 1 333.476 1.468 20 0 EDADMP C[C@H](O)CC[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266739785 443225481 /nfs/dbraw/zinc/22/54/81/443225481.db2.gz NBQYOZDWMPYLSO-BQFCYCMXSA-N 2 1 333.476 1.468 20 0 EDADMP C[C@H](O)CC[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266739785 443225484 /nfs/dbraw/zinc/22/54/84/443225484.db2.gz NBQYOZDWMPYLSO-BQFCYCMXSA-N 2 1 333.476 1.468 20 0 EDADMP CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185721508 443245283 /nfs/dbraw/zinc/24/52/83/443245283.db2.gz NDQOIXUZYXNEHG-GJZGRUSLSA-N 2 1 338.496 1.855 20 0 EDADMP CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721508 443245284 /nfs/dbraw/zinc/24/52/84/443245284.db2.gz NDQOIXUZYXNEHG-GJZGRUSLSA-N 2 1 338.496 1.855 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000382724565 319124358 /nfs/dbraw/zinc/12/43/58/319124358.db2.gz QQLMTNLCBUBQML-WMZOPIPTSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000269250829 443251278 /nfs/dbraw/zinc/25/12/78/443251278.db2.gz GQOXVHMHLCISNP-QRQLOZEOSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000269250879 443251331 /nfs/dbraw/zinc/25/13/31/443251331.db2.gz GWOUXMAZOKZAEI-HKUYNNGSSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC000414055987 319314052 /nfs/dbraw/zinc/31/40/52/319314052.db2.gz CZTBVWZQSZIJMY-OLZOCXBDSA-N 2 1 340.493 1.606 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000414693078 319343404 /nfs/dbraw/zinc/34/34/04/319343404.db2.gz BSGQVEWLAKJZLL-UHFFFAOYSA-N 2 1 346.475 1.855 20 0 EDADMP COc1cc2c(cc1C[N@@H+]1CCC[C@H](n3cc(C[NH3+])nn3)C1)OCO2 ZINC000415130694 319347233 /nfs/dbraw/zinc/34/72/33/319347233.db2.gz RKHQOSQYPYZDDS-AWEZNQCLSA-N 2 1 345.403 1.311 20 0 EDADMP COc1cc2c(cc1C[N@H+]1CCC[C@H](n3cc(C[NH3+])nn3)C1)OCO2 ZINC000415130694 319347235 /nfs/dbraw/zinc/34/72/35/319347235.db2.gz RKHQOSQYPYZDDS-AWEZNQCLSA-N 2 1 345.403 1.311 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000415735927 319367692 /nfs/dbraw/zinc/36/76/92/319367692.db2.gz ZVPZNSJRCCQHIX-ZIAGYGMSSA-N 2 1 346.475 1.709 20 0 EDADMP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000269269791 443259881 /nfs/dbraw/zinc/25/98/81/443259881.db2.gz RKRRODMRNYQNNO-LJQANCHMSA-N 2 1 343.471 1.272 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000415939509 319383892 /nfs/dbraw/zinc/38/38/92/319383892.db2.gz BYNWHPIYTVCSLC-HNNXBMFYSA-N 2 1 334.464 1.886 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)cc1 ZINC000415972110 319386815 /nfs/dbraw/zinc/38/68/15/319386815.db2.gz LUICFMGNUNVSCK-AWEZNQCLSA-N 2 1 348.447 1.507 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416001345 319389275 /nfs/dbraw/zinc/38/92/75/319389275.db2.gz CFFADNWRENNKKP-LBPRGKRZSA-N 2 1 340.390 1.018 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCCO1 ZINC000246208389 443279268 /nfs/dbraw/zinc/27/92/68/443279268.db2.gz JZSAGDYSKNMEJP-SJLPKXTDSA-N 2 1 340.512 1.613 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416955246 319484835 /nfs/dbraw/zinc/48/48/35/319484835.db2.gz MBGJEPOJPBDIEE-SJORKVTESA-N 2 1 340.512 1.646 20 0 EDADMP O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000282397778 443327161 /nfs/dbraw/zinc/32/71/61/443327161.db2.gz KHNABCMQHZGSQR-SQNIBIBYSA-N 2 1 343.471 1.883 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000272490582 443337152 /nfs/dbraw/zinc/33/71/52/443337152.db2.gz CCGRYVICRJNSGO-JFRXWTBNSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H]([C@H](C)O)C1 ZINC000272490582 443337156 /nfs/dbraw/zinc/33/71/56/443337156.db2.gz CCGRYVICRJNSGO-JFRXWTBNSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H]([C@H](C)O)C1 ZINC000272490582 443337160 /nfs/dbraw/zinc/33/71/60/443337160.db2.gz CCGRYVICRJNSGO-JFRXWTBNSA-N 2 1 345.487 1.468 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000264763492 443413082 /nfs/dbraw/zinc/41/30/82/443413082.db2.gz QPPLIUDUKWQAPZ-MSOLQXFVSA-N 2 1 328.460 1.751 20 0 EDADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000264763492 443413087 /nfs/dbraw/zinc/41/30/87/443413087.db2.gz QPPLIUDUKWQAPZ-MSOLQXFVSA-N 2 1 328.460 1.751 20 0 EDADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000264763492 443413091 /nfs/dbraw/zinc/41/30/91/443413091.db2.gz QPPLIUDUKWQAPZ-MSOLQXFVSA-N 2 1 328.460 1.751 20 0 EDADMP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[NH+](C)C ZINC000272776684 443440436 /nfs/dbraw/zinc/44/04/36/443440436.db2.gz APEGAJGVFUJUEO-OALUTQOASA-N 2 1 347.503 1.846 20 0 EDADMP COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000267477041 443471627 /nfs/dbraw/zinc/47/16/27/443471627.db2.gz WYPPCZSODBQJFF-INIZCTEOSA-N 2 1 348.447 1.068 20 0 EDADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000267477041 443471632 /nfs/dbraw/zinc/47/16/32/443471632.db2.gz WYPPCZSODBQJFF-INIZCTEOSA-N 2 1 348.447 1.068 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000279042179 443498652 /nfs/dbraw/zinc/49/86/52/443498652.db2.gz XHFSSJKWJCMMPI-STQMWFEESA-N 2 1 334.445 1.444 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000272232659 443563524 /nfs/dbraw/zinc/56/35/24/443563524.db2.gz JXNPDKLSUWEIAG-HRCADAONSA-N 2 1 348.466 1.532 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272267573 443574266 /nfs/dbraw/zinc/57/42/66/443574266.db2.gz KXUBUKUCXASWQX-JQHSSLGASA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272267573 443574268 /nfs/dbraw/zinc/57/42/68/443574268.db2.gz KXUBUKUCXASWQX-JQHSSLGASA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272267573 443574269 /nfs/dbraw/zinc/57/42/69/443574269.db2.gz KXUBUKUCXASWQX-JQHSSLGASA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272267573 443574272 /nfs/dbraw/zinc/57/42/72/443574272.db2.gz KXUBUKUCXASWQX-JQHSSLGASA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000272299255 443585343 /nfs/dbraw/zinc/58/53/43/443585343.db2.gz QINYTIOFIHIZBG-SZMVWBNQSA-N 2 1 330.476 1.171 20 0 EDADMP CC[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438571744 320036277 /nfs/dbraw/zinc/03/62/77/320036277.db2.gz ANIQRJBXOXHJQZ-GOSISDBHSA-N 2 1 336.524 1.537 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438571744 320036279 /nfs/dbraw/zinc/03/62/79/320036279.db2.gz ANIQRJBXOXHJQZ-GOSISDBHSA-N 2 1 336.524 1.537 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438571744 320036280 /nfs/dbraw/zinc/03/62/80/320036280.db2.gz ANIQRJBXOXHJQZ-GOSISDBHSA-N 2 1 336.524 1.537 20 0 EDADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440274409 320068234 /nfs/dbraw/zinc/06/82/34/320068234.db2.gz TZFGHSSUHKGOKP-IAGOWNOFSA-N 2 1 325.497 1.866 20 0 EDADMP Cc1cc(C)n2c(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)cnc2n1 ZINC000441346140 320093448 /nfs/dbraw/zinc/09/34/48/320093448.db2.gz JEEGHORPNMMFHW-UHFFFAOYSA-N 2 1 330.480 1.462 20 0 EDADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NC[C@H]3CCC[N@H+]3C)ccc21 ZINC000453648437 320267028 /nfs/dbraw/zinc/26/70/28/320267028.db2.gz STOSOTWSSWAUIQ-WBVHZDCISA-N 2 1 344.459 1.384 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457453771 320326460 /nfs/dbraw/zinc/32/64/60/320326460.db2.gz UFUKUOXXFOVTGO-UHFFFAOYSA-N 2 1 336.524 1.395 20 0 EDADMP C[NH+](C)CCCC(C)(C)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000458735656 320339946 /nfs/dbraw/zinc/33/99/46/320339946.db2.gz UDPAMNZPQZBDNX-UHFFFAOYSA-N 2 1 341.544 1.432 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459320212 320346548 /nfs/dbraw/zinc/34/65/48/320346548.db2.gz SAZBSYYAIICVHU-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459320212 320346549 /nfs/dbraw/zinc/34/65/49/320346549.db2.gz SAZBSYYAIICVHU-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[N@H+]1C[C@H](C)O ZINC000276461483 443714429 /nfs/dbraw/zinc/71/44/29/443714429.db2.gz AFVZENNHRLTWDD-KXBFYZLASA-N 2 1 345.487 1.292 20 0 EDADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)CN3CC[NH2+]CC3)CC2)cc1 ZINC000519161402 320463455 /nfs/dbraw/zinc/46/34/55/320463455.db2.gz FOPRBAAOBLWICE-UHFFFAOYSA-N 2 1 344.503 1.359 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCN2Cc2ccc(OC)cc2)CC1 ZINC000527967051 320531049 /nfs/dbraw/zinc/53/10/49/320531049.db2.gz HYLUXMVFLNOAAG-LJQANCHMSA-N 2 1 347.503 1.970 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)cn2cc[nH+]c12 ZINC000292908179 443876176 /nfs/dbraw/zinc/87/61/76/443876176.db2.gz AMLRTCNCFIGLCA-AWEZNQCLSA-N 2 1 343.431 1.572 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cn2cc[nH+]c12 ZINC000292908179 443876179 /nfs/dbraw/zinc/87/61/79/443876179.db2.gz AMLRTCNCFIGLCA-AWEZNQCLSA-N 2 1 343.431 1.572 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000288553001 443916369 /nfs/dbraw/zinc/91/63/69/443916369.db2.gz VRWPUTKPACOBEY-AZUAARDMSA-N 2 1 343.471 1.442 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000288553001 443916374 /nfs/dbraw/zinc/91/63/74/443916374.db2.gz VRWPUTKPACOBEY-AZUAARDMSA-N 2 1 343.471 1.442 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000288553001 443916378 /nfs/dbraw/zinc/91/63/78/443916378.db2.gz VRWPUTKPACOBEY-AZUAARDMSA-N 2 1 343.471 1.442 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000288553001 443916382 /nfs/dbraw/zinc/91/63/82/443916382.db2.gz VRWPUTKPACOBEY-AZUAARDMSA-N 2 1 343.471 1.442 20 0 EDADMP C[C@@H](NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1ccccc1 ZINC000288576661 443923927 /nfs/dbraw/zinc/92/39/27/443923927.db2.gz BCVZQZZZFMHYRV-QGZVFWFLSA-N 2 1 334.508 1.679 20 0 EDADMP O=C1CCC(=O)N1CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285446132 443987698 /nfs/dbraw/zinc/98/76/98/443987698.db2.gz FZPWHSHGDCCJHN-HXUWFJFHSA-N 2 1 341.455 1.733 20 0 EDADMP O=C1CCC(=O)N1CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285446132 443987701 /nfs/dbraw/zinc/98/77/01/443987701.db2.gz FZPWHSHGDCCJHN-HXUWFJFHSA-N 2 1 341.455 1.733 20 0 EDADMP O=C1CCC(=O)N1CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285446132 443987706 /nfs/dbraw/zinc/98/77/06/443987706.db2.gz FZPWHSHGDCCJHN-HXUWFJFHSA-N 2 1 341.455 1.733 20 0 EDADMP O=C1CCC(=O)N1CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285446132 443987707 /nfs/dbraw/zinc/98/77/07/443987707.db2.gz FZPWHSHGDCCJHN-HXUWFJFHSA-N 2 1 341.455 1.733 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000299419920 444042033 /nfs/dbraw/zinc/04/20/33/444042033.db2.gz HGDVCVUVQYSTGL-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP COCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000299419920 444042038 /nfs/dbraw/zinc/04/20/38/444042038.db2.gz HGDVCVUVQYSTGL-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP COCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000299419920 444042043 /nfs/dbraw/zinc/04/20/43/444042043.db2.gz HGDVCVUVQYSTGL-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NCC(=O)OC ZINC000560407521 321026791 /nfs/dbraw/zinc/02/67/91/321026791.db2.gz YFLAKHQQEFQCFO-QLFBSQMISA-N 2 1 327.469 1.154 20 0 EDADMP CC1CC[NH+](CCNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000561125606 321034122 /nfs/dbraw/zinc/03/41/22/321034122.db2.gz LMIBHPXUZWIHQK-KRWDZBQOSA-N 2 1 331.464 1.469 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000561215805 321036666 /nfs/dbraw/zinc/03/66/66/321036666.db2.gz HARMOMOMTZPCKO-CALCHBBNSA-N 2 1 349.523 1.106 20 0 EDADMP CC[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563214684 321101333 /nfs/dbraw/zinc/10/13/33/321101333.db2.gz ZKGKZTYTAMCIJF-NLWGTHIKSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563214684 321101335 /nfs/dbraw/zinc/10/13/35/321101335.db2.gz ZKGKZTYTAMCIJF-NLWGTHIKSA-N 2 1 345.487 1.782 20 0 EDADMP CCCCCOc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000565234315 321177768 /nfs/dbraw/zinc/17/77/68/321177768.db2.gz SKFPLWUJGZPINR-FUHWJXTLSA-N 2 1 331.460 1.999 20 0 EDADMP CCCCCOc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000565234315 321177769 /nfs/dbraw/zinc/17/77/69/321177769.db2.gz SKFPLWUJGZPINR-FUHWJXTLSA-N 2 1 331.460 1.999 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000566303584 321226108 /nfs/dbraw/zinc/22/61/08/321226108.db2.gz CPESUVDACBISDA-JKSUJKDBSA-N 2 1 348.466 1.534 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000566303584 321226109 /nfs/dbraw/zinc/22/61/09/321226109.db2.gz CPESUVDACBISDA-JKSUJKDBSA-N 2 1 348.466 1.534 20 0 EDADMP C[NH+](C)CCCCC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000566907837 321236056 /nfs/dbraw/zinc/23/60/56/321236056.db2.gz UWNAODLOLQWPRI-IBGZPJMESA-N 2 1 347.503 1.991 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](C)CCCO)CC2)CC1 ZINC000568229277 321283128 /nfs/dbraw/zinc/28/31/28/321283128.db2.gz VEJCMSADDVGITK-INIZCTEOSA-N 2 1 339.524 1.708 20 0 EDADMP CCC[C@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CC[N@H+]1CCOC ZINC000568396850 321289919 /nfs/dbraw/zinc/28/99/19/321289919.db2.gz YVBNHUWWWMDWIM-GJZGRUSLSA-N 2 1 329.510 1.041 20 0 EDADMP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000571389184 321385523 /nfs/dbraw/zinc/38/55/23/321385523.db2.gz FGYZMZOSUOARHH-BJDYSFLHSA-N 2 1 348.495 1.457 20 0 EDADMP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000571389184 321385525 /nfs/dbraw/zinc/38/55/25/321385525.db2.gz FGYZMZOSUOARHH-BJDYSFLHSA-N 2 1 348.495 1.457 20 0 EDADMP COC(=O)c1ccc([C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000289504516 444160919 /nfs/dbraw/zinc/16/09/19/444160919.db2.gz ULBLNTIYBVDRLU-AWEZNQCLSA-N 2 1 325.453 1.943 20 0 EDADMP CCc1cc(N(C)C[C@@H](O)CN2CC[NH+](C)CC2)c2ccccc2[nH+]1 ZINC000302696226 444220279 /nfs/dbraw/zinc/22/02/79/444220279.db2.gz WLQKYRVOFCMMJJ-QGZVFWFLSA-N 2 1 342.487 1.842 20 0 EDADMP Cc1[nH+]c2ccccc2c(N(C)C[C@H](O)CN2CC[NH+](C)CC2)c1C ZINC000302711812 444220884 /nfs/dbraw/zinc/22/08/84/444220884.db2.gz ZQRDOWSUKRSJKH-KRWDZBQOSA-N 2 1 342.487 1.896 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295285811 444175416 /nfs/dbraw/zinc/17/54/16/444175416.db2.gz DJKZIKJBQYRLIX-SFHVURJKSA-N 2 1 347.503 1.946 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295285811 444175421 /nfs/dbraw/zinc/17/54/21/444175421.db2.gz DJKZIKJBQYRLIX-SFHVURJKSA-N 2 1 347.503 1.946 20 0 EDADMP C[N@H+](C[C@H](O)CN1CC[NH+](CCOc2ccccc2)CC1)C1CC1 ZINC000289701092 444192884 /nfs/dbraw/zinc/19/28/84/444192884.db2.gz FNZCVIHYQGKQJO-SFHVURJKSA-N 2 1 333.476 1.138 20 0 EDADMP C[N@@H+](C[C@H](O)CN1CC[NH+](CCOc2ccccc2)CC1)C1CC1 ZINC000289701092 444192886 /nfs/dbraw/zinc/19/28/86/444192886.db2.gz FNZCVIHYQGKQJO-SFHVURJKSA-N 2 1 333.476 1.138 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000576698430 321588419 /nfs/dbraw/zinc/58/84/19/321588419.db2.gz XNXXAVHLMIDRMM-UHFFFAOYSA-N 2 1 347.459 1.492 20 0 EDADMP CC[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000305680449 444272654 /nfs/dbraw/zinc/27/26/54/444272654.db2.gz MQGANNYXORTSPT-PKOBYXMFSA-N 2 1 345.487 1.470 20 0 EDADMP CC[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000305680449 444272655 /nfs/dbraw/zinc/27/26/55/444272655.db2.gz MQGANNYXORTSPT-PKOBYXMFSA-N 2 1 345.487 1.470 20 0 EDADMP CC[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000305680449 444272658 /nfs/dbraw/zinc/27/26/58/444272658.db2.gz MQGANNYXORTSPT-PKOBYXMFSA-N 2 1 345.487 1.470 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000290392744 444275446 /nfs/dbraw/zinc/27/54/46/444275446.db2.gz RWUHVWUQGVTIKC-CQSZACIVSA-N 2 1 343.431 1.656 20 0 EDADMP C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309812169 444290257 /nfs/dbraw/zinc/29/02/57/444290257.db2.gz WTQGUEIYIDHYHU-AEGPPILISA-N 2 1 325.403 1.996 20 0 EDADMP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000578011022 321707326 /nfs/dbraw/zinc/70/73/26/321707326.db2.gz MKOYOQYSCFKSOI-XMTFNYHQSA-N 2 1 337.508 1.772 20 0 EDADMP C[N@@H+](CC(=O)NCCC[NH+]1CCc2ccccc2C1)[C@H]1CCSC1 ZINC000339976375 444346506 /nfs/dbraw/zinc/34/65/06/444346506.db2.gz SXDXNPUUBPHJIW-SFHVURJKSA-N 2 1 347.528 1.988 20 0 EDADMP C[NH+](CC(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCSC1 ZINC000339976375 444346507 /nfs/dbraw/zinc/34/65/07/444346507.db2.gz SXDXNPUUBPHJIW-SFHVURJKSA-N 2 1 347.528 1.988 20 0 EDADMP C[NH+](CC(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCSC1 ZINC000339976375 444346510 /nfs/dbraw/zinc/34/65/10/444346510.db2.gz SXDXNPUUBPHJIW-SFHVURJKSA-N 2 1 347.528 1.988 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C ZINC000328641510 444409697 /nfs/dbraw/zinc/40/96/97/444409697.db2.gz FNNUMCQJSIVMOH-HUUCEWRRSA-N 2 1 336.480 1.860 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C ZINC000328641510 444409702 /nfs/dbraw/zinc/40/97/02/444409702.db2.gz FNNUMCQJSIVMOH-HUUCEWRRSA-N 2 1 336.480 1.860 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C ZINC000328641510 444409706 /nfs/dbraw/zinc/40/97/06/444409706.db2.gz FNNUMCQJSIVMOH-HUUCEWRRSA-N 2 1 336.480 1.860 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C ZINC000328641510 444409711 /nfs/dbraw/zinc/40/97/11/444409711.db2.gz FNNUMCQJSIVMOH-HUUCEWRRSA-N 2 1 336.480 1.860 20 0 EDADMP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000340517308 444422404 /nfs/dbraw/zinc/42/24/04/444422404.db2.gz MZQJHDUBOBHNPX-MSOLQXFVSA-N 2 1 329.448 1.413 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000340518591 444422579 /nfs/dbraw/zinc/42/25/79/444422579.db2.gz OMAMYZQFOKPINJ-BHIYHBOVSA-N 2 1 349.519 1.866 20 0 EDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC[N@@H+]1C ZINC000329020759 444447903 /nfs/dbraw/zinc/44/79/03/444447903.db2.gz LYAHGZUEHAUDGF-YRWGSWDYSA-N 2 1 331.464 1.297 20 0 EDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000329020759 444447905 /nfs/dbraw/zinc/44/79/05/444447905.db2.gz LYAHGZUEHAUDGF-YRWGSWDYSA-N 2 1 331.464 1.297 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)[C@@H](C)C1 ZINC000338009831 444485737 /nfs/dbraw/zinc/48/57/37/444485737.db2.gz WUPAVLKIINYBRW-FJIDUMEYSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000580307623 322034137 /nfs/dbraw/zinc/03/41/37/322034137.db2.gz YKXCDTSPUOMFSR-LSDHHAIUSA-N 2 1 340.512 1.070 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000580702988 322083945 /nfs/dbraw/zinc/08/39/45/322083945.db2.gz QFWZTZQHLWAVMX-OAHLLOKOSA-N 2 1 329.448 1.671 20 0 EDADMP CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581014321 322125062 /nfs/dbraw/zinc/12/50/62/322125062.db2.gz SXJWDZSRTXNWFZ-SQNIBIBYSA-N 2 1 331.460 1.534 20 0 EDADMP CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581014321 322125064 /nfs/dbraw/zinc/12/50/64/322125064.db2.gz SXJWDZSRTXNWFZ-SQNIBIBYSA-N 2 1 331.460 1.534 20 0 EDADMP [NH3+]C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CCCC1 ZINC000581120954 322138112 /nfs/dbraw/zinc/13/81/12/322138112.db2.gz GYCVFVBEITYEAK-ULQDDVLXSA-N 2 1 338.496 1.447 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)n1 ZINC000582012193 322245226 /nfs/dbraw/zinc/24/52/26/322245226.db2.gz ZNWXFMZOCZQCFP-UHFFFAOYSA-N 2 1 335.496 1.829 20 0 EDADMP C[C@H]([NH2+]CCn1nc2ccccn2c1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329403789 444565376 /nfs/dbraw/zinc/56/53/76/444565376.db2.gz CGNWDIDDGAFPIE-HOTGVXAUSA-N 2 1 343.475 1.739 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNc2cc[nH+]cc2Br)CC1 ZINC000342211850 444567982 /nfs/dbraw/zinc/56/79/82/444567982.db2.gz VKUUCFINSFGZSI-GFCCVEGCSA-N 2 1 328.254 1.771 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C1([NH3+])CCOCC1)c1ccccc1 ZINC000338154709 444539018 /nfs/dbraw/zinc/53/90/18/444539018.db2.gz RYDVDERPBRYQRU-QGZVFWFLSA-N 2 1 349.475 1.320 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000343817655 444608982 /nfs/dbraw/zinc/60/89/82/444608982.db2.gz OHNVXHMRSVPWPL-ZBFHGGJFSA-N 2 1 326.485 1.269 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000338282411 444609463 /nfs/dbraw/zinc/60/94/63/444609463.db2.gz XPFXUCJPRLBYLO-DLBZAZTESA-N 2 1 335.423 1.098 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000338282411 444609467 /nfs/dbraw/zinc/60/94/67/444609467.db2.gz XPFXUCJPRLBYLO-DLBZAZTESA-N 2 1 335.423 1.098 20 0 EDADMP CN(C)c1ncc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1C ZINC000332972359 444616710 /nfs/dbraw/zinc/61/67/10/444616710.db2.gz ZYHGJHUEFSRNNL-ZFWWWQNUSA-N 2 1 334.468 1.112 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1C ZINC000332972359 444616716 /nfs/dbraw/zinc/61/67/16/444616716.db2.gz ZYHGJHUEFSRNNL-ZFWWWQNUSA-N 2 1 334.468 1.112 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1C ZINC000332972359 444616722 /nfs/dbraw/zinc/61/67/22/444616722.db2.gz ZYHGJHUEFSRNNL-ZFWWWQNUSA-N 2 1 334.468 1.112 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000340996493 444621314 /nfs/dbraw/zinc/62/13/14/444621314.db2.gz SPBIMXAKQKVEPU-UHFFFAOYSA-N 2 1 342.528 1.909 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000333330803 444658166 /nfs/dbraw/zinc/65/81/66/444658166.db2.gz OGCWFHWTGBJYLE-CYBMUJFWSA-N 2 1 332.448 1.599 20 0 EDADMP CCC1(CC)[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@H](C)[C@H]1OC ZINC000338382568 444664520 /nfs/dbraw/zinc/66/45/20/444664520.db2.gz XIWKEJPJRRHLHO-USXIJHARSA-N 2 1 325.497 1.580 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCO1 ZINC000341021315 444636638 /nfs/dbraw/zinc/63/66/38/444636638.db2.gz SUQNUEARYRYIGV-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000342340363 444641112 /nfs/dbraw/zinc/64/11/12/444641112.db2.gz QIGKYEKJIVGIAQ-QFBILLFUSA-N 2 1 342.487 1.997 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000342340363 444641116 /nfs/dbraw/zinc/64/11/16/444641116.db2.gz QIGKYEKJIVGIAQ-QFBILLFUSA-N 2 1 342.487 1.997 20 0 EDADMP COCC1(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC[NH2+]CC1 ZINC000333856374 444703534 /nfs/dbraw/zinc/70/35/34/444703534.db2.gz RAJBSDRPLGMRDQ-JKSUJKDBSA-N 2 1 338.496 1.128 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)cn1 ZINC000333895333 444711090 /nfs/dbraw/zinc/71/10/90/444711090.db2.gz YZBVREDKHRQVEC-DOTOQJQBSA-N 2 1 348.495 1.118 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)cn1 ZINC000333895333 444711095 /nfs/dbraw/zinc/71/10/95/444711095.db2.gz YZBVREDKHRQVEC-DOTOQJQBSA-N 2 1 348.495 1.118 20 0 EDADMP CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341187784 444718366 /nfs/dbraw/zinc/71/83/66/444718366.db2.gz NVEXLXHHSCSTNO-IBGZPJMESA-N 2 1 345.487 1.577 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC[N@H+]1C ZINC000341201643 444725632 /nfs/dbraw/zinc/72/56/32/444725632.db2.gz LTOLYFWYUYGRCY-IAGOWNOFSA-N 3 1 341.544 1.384 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCN2CCOC[C@@H]2C)C1 ZINC000341123079 444684934 /nfs/dbraw/zinc/68/49/34/444684934.db2.gz KRFPNSFJDZMHRP-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000343942754 444684946 /nfs/dbraw/zinc/68/49/46/444684946.db2.gz UMOOLQCTDWCORS-ZWKOTPCHSA-N 2 1 327.432 1.481 20 0 EDADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000342422559 444685801 /nfs/dbraw/zinc/68/58/01/444685801.db2.gz HASWXRHJJAPJFR-GOEBONIOSA-N 2 1 325.522 1.614 20 0 EDADMP C[C@@H](CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C[NH+](C)C ZINC000341227550 444739139 /nfs/dbraw/zinc/73/91/39/444739139.db2.gz IXHDJTKGTCEKLV-KRWDZBQOSA-N 2 1 332.492 1.118 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000342549655 444740562 /nfs/dbraw/zinc/74/05/62/444740562.db2.gz WYKXGSNBZBTIHE-OWCLPIDISA-N 2 1 325.497 1.865 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342549655 444740565 /nfs/dbraw/zinc/74/05/65/444740565.db2.gz WYKXGSNBZBTIHE-OWCLPIDISA-N 2 1 325.497 1.865 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342549655 444740567 /nfs/dbraw/zinc/74/05/67/444740567.db2.gz WYKXGSNBZBTIHE-OWCLPIDISA-N 2 1 325.497 1.865 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342549655 444740571 /nfs/dbraw/zinc/74/05/71/444740571.db2.gz WYKXGSNBZBTIHE-OWCLPIDISA-N 2 1 325.497 1.865 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(I)c2)C1 ZINC000341269497 444755145 /nfs/dbraw/zinc/75/51/45/444755145.db2.gz JJUXDMXLMUISSN-CYBMUJFWSA-N 2 1 346.212 1.447 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(I)c2)C1 ZINC000341269497 444755148 /nfs/dbraw/zinc/75/51/48/444755148.db2.gz JJUXDMXLMUISSN-CYBMUJFWSA-N 2 1 346.212 1.447 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)C(=O)NCC(C)C ZINC000344123852 444794402 /nfs/dbraw/zinc/79/44/02/444794402.db2.gz HBWLRFJALLJANW-KRWDZBQOSA-N 2 1 326.529 1.497 20 0 EDADMP CCC[N@@H+](CCO[C@@H]1CCCCO1)CCN1CC[NH+](CC)CC1 ZINC000344148723 444807862 /nfs/dbraw/zinc/80/78/62/444807862.db2.gz DUGGBOHZXRDXQK-GOSISDBHSA-N 2 1 327.513 1.879 20 0 EDADMP CO[C@H](C)c1noc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000336872877 444818732 /nfs/dbraw/zinc/81/87/32/444818732.db2.gz RBYDKCRDGGVQMC-CHWSQXEVSA-N 2 1 326.441 1.302 20 0 EDADMP CO[C@H](C)c1noc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000336872877 444818734 /nfs/dbraw/zinc/81/87/34/444818734.db2.gz RBYDKCRDGGVQMC-CHWSQXEVSA-N 2 1 326.441 1.302 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000338762257 444841734 /nfs/dbraw/zinc/84/17/34/444841734.db2.gz NPGKSKHQRZDSFB-CVEARBPZSA-N 2 1 339.867 1.780 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000338762257 444841736 /nfs/dbraw/zinc/84/17/36/444841736.db2.gz NPGKSKHQRZDSFB-CVEARBPZSA-N 2 1 339.867 1.780 20 0 EDADMP COC[C@H]1C[C@@H](OC)C[N@H+]1C[C@H](C)C[NH+]1C[C@@H](OC)C[C@H]1COC ZINC000344344202 444907432 /nfs/dbraw/zinc/90/74/32/444907432.db2.gz CBNCDWZJPVDVEF-IJTOGUNISA-N 2 1 344.496 1.094 20 0 EDADMP COC[C@H]1C[C@@H](OC)C[NH+]1C[C@H](C)C[N@@H+]1C[C@@H](OC)C[C@H]1COC ZINC000344344202 444907433 /nfs/dbraw/zinc/90/74/33/444907433.db2.gz CBNCDWZJPVDVEF-IJTOGUNISA-N 2 1 344.496 1.094 20 0 EDADMP COC[C@H]1C[C@@H](OC)C[NH+]1C[C@H](C)C[N@H+]1C[C@@H](OC)C[C@H]1COC ZINC000344344202 444907434 /nfs/dbraw/zinc/90/74/34/444907434.db2.gz CBNCDWZJPVDVEF-IJTOGUNISA-N 2 1 344.496 1.094 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000330446168 444984587 /nfs/dbraw/zinc/98/45/87/444984587.db2.gz VWIKVFZECLVIFQ-HNNXBMFYSA-N 2 1 339.480 1.204 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000330446168 444984590 /nfs/dbraw/zinc/98/45/90/444984590.db2.gz VWIKVFZECLVIFQ-HNNXBMFYSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343031386 445018158 /nfs/dbraw/zinc/01/81/58/445018158.db2.gz AWWNDBXZEYMCSU-CVEARBPZSA-N 2 1 340.512 1.214 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)CC1 ZINC000337396249 445062227 /nfs/dbraw/zinc/06/22/27/445062227.db2.gz JBIPMCYFKUKMQM-QGZVFWFLSA-N 2 1 345.553 1.302 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000341906901 445065209 /nfs/dbraw/zinc/06/52/09/445065209.db2.gz YKYFRDQPYMFLPU-JTDSTZFVSA-N 2 1 345.487 1.977 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000341906901 445065215 /nfs/dbraw/zinc/06/52/15/445065215.db2.gz YKYFRDQPYMFLPU-JTDSTZFVSA-N 2 1 345.487 1.977 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000343178849 445119535 /nfs/dbraw/zinc/11/95/35/445119535.db2.gz UWFHBDMTLVGIAN-JKSUJKDBSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000343178849 445119540 /nfs/dbraw/zinc/11/95/40/445119540.db2.gz UWFHBDMTLVGIAN-JKSUJKDBSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000343178849 445119541 /nfs/dbraw/zinc/11/95/41/445119541.db2.gz UWFHBDMTLVGIAN-JKSUJKDBSA-N 2 1 340.512 1.071 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCn1cccn1 ZINC000337569665 445142677 /nfs/dbraw/zinc/14/26/77/445142677.db2.gz BYJKFNLVKDYBLX-QGZVFWFLSA-N 2 1 335.496 1.538 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NCCC[NH+]1CCCC1)n2C ZINC000354461909 445247150 /nfs/dbraw/zinc/24/71/50/445247150.db2.gz FDFHQIDAXOFYAI-UHFFFAOYSA-N 2 1 330.436 1.250 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000348123484 445280840 /nfs/dbraw/zinc/28/08/40/445280840.db2.gz SESWSROIPFYQNA-ZWKOTPCHSA-N 2 1 348.470 1.860 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000348123484 445280846 /nfs/dbraw/zinc/28/08/46/445280846.db2.gz SESWSROIPFYQNA-ZWKOTPCHSA-N 2 1 348.470 1.860 20 0 EDADMP O=C([C@H]1CCC[N@H+](CCCc2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC000348757329 445364118 /nfs/dbraw/zinc/36/41/18/445364118.db2.gz VFPYODXVJBEFNM-KRWDZBQOSA-N 2 1 333.451 1.902 20 0 EDADMP CCOC[C@H](C)[NH2+]C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354932206 445434954 /nfs/dbraw/zinc/43/49/54/445434954.db2.gz QOTKWBULHQILLG-BFHYXJOUSA-N 2 1 325.432 1.474 20 0 EDADMP C[C@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000354959136 445436594 /nfs/dbraw/zinc/43/65/94/445436594.db2.gz NSUAKHGPRDGZPM-LSDHHAIUSA-N 2 1 326.485 1.005 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362570400 445445231 /nfs/dbraw/zinc/44/52/31/445445231.db2.gz RFXOMDLQWCVTHV-GJZGRUSLSA-N 2 1 331.464 1.481 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCCCC[NH+]1CCC[C@H]1CO ZINC000355262376 445452760 /nfs/dbraw/zinc/45/27/60/445452760.db2.gz DEBLDKWEAJOBEV-SJORKVTESA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+]1CCCC[C@@H]1CCC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000355262376 445452762 /nfs/dbraw/zinc/45/27/62/445452762.db2.gz DEBLDKWEAJOBEV-SJORKVTESA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+]1CCCC[C@@H]1CCC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000355262376 445452763 /nfs/dbraw/zinc/45/27/63/445452763.db2.gz DEBLDKWEAJOBEV-SJORKVTESA-N 2 1 325.497 1.604 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNc2ccnc(N3CCCCC3)n2)C1 ZINC000352385477 445524605 /nfs/dbraw/zinc/52/46/05/445524605.db2.gz HWYXVYOTDBBUQA-MRXNPFEDSA-N 2 1 333.480 2.236 20 0 EDADMP CC(C)CN1CCO[C@H](CNc2ccnc(N3CCCCC3)n2)C1 ZINC000352385477 445524609 /nfs/dbraw/zinc/52/46/09/445524609.db2.gz HWYXVYOTDBBUQA-MRXNPFEDSA-N 2 1 333.480 2.236 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000352390631 445525877 /nfs/dbraw/zinc/52/58/77/445525877.db2.gz FPXPELMATWIYJJ-CALCHBBNSA-N 2 1 347.507 2.483 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000352390631 445525879 /nfs/dbraw/zinc/52/58/79/445525879.db2.gz FPXPELMATWIYJJ-CALCHBBNSA-N 2 1 347.507 2.483 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000349045581 445487356 /nfs/dbraw/zinc/48/73/56/445487356.db2.gz FDQSYNHKKUVVKI-YVEFUNNKSA-N 2 1 326.400 1.545 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000359924246 445490685 /nfs/dbraw/zinc/49/06/85/445490685.db2.gz NBGFXBQLBSVPRH-CVEARBPZSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000359924246 445490689 /nfs/dbraw/zinc/49/06/89/445490689.db2.gz NBGFXBQLBSVPRH-CVEARBPZSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000359924246 445490691 /nfs/dbraw/zinc/49/06/91/445490691.db2.gz NBGFXBQLBSVPRH-CVEARBPZSA-N 2 1 342.528 1.593 20 0 EDADMP C[C@H](C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000357243080 445502175 /nfs/dbraw/zinc/50/21/75/445502175.db2.gz PYLMUWMUCIXCKB-KRWDZBQOSA-N 2 1 344.503 1.166 20 0 EDADMP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000362805661 445557281 /nfs/dbraw/zinc/55/72/81/445557281.db2.gz MKHCFQCIKYHCJD-HNNXBMFYSA-N 2 1 341.415 1.560 20 0 EDADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CC3=CCCOC3)CC2)C[C@@H](C)O1 ZINC000349422870 445585014 /nfs/dbraw/zinc/58/50/14/445585014.db2.gz VXZCVRUEJKJDFV-IAGOWNOFSA-N 2 1 338.492 1.923 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000357305975 445538864 /nfs/dbraw/zinc/53/88/64/445538864.db2.gz LSADPBXJAYVZNS-HLIPFELVSA-N 2 1 344.503 1.307 20 0 EDADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000353464736 445613844 /nfs/dbraw/zinc/61/38/44/445613844.db2.gz WKIYPOYKPJFRCS-QAPCUYQASA-N 2 1 346.475 1.834 20 0 EDADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NCCCOC1CCCCC1 ZINC000358505609 445623262 /nfs/dbraw/zinc/62/32/62/445623262.db2.gz KNSALFIYVOOUCD-UHFFFAOYSA-N 2 1 337.508 1.918 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000349710581 445652368 /nfs/dbraw/zinc/65/23/68/445652368.db2.gz GCEPSBXANZKOSS-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000349787042 445678614 /nfs/dbraw/zinc/67/86/14/445678614.db2.gz ZUUFAURHYGFMEB-AWEZNQCLSA-N 2 1 327.494 1.755 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000363124668 445686950 /nfs/dbraw/zinc/68/69/50/445686950.db2.gz ZAKRPIYVIMSNJT-LJQANCHMSA-N 2 1 344.503 1.403 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000363124668 445686957 /nfs/dbraw/zinc/68/69/57/445686957.db2.gz ZAKRPIYVIMSNJT-LJQANCHMSA-N 2 1 344.503 1.403 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353588914 445668685 /nfs/dbraw/zinc/66/86/85/445668685.db2.gz OEPWJOMGRIRACT-KZNAEPCWSA-N 2 1 345.487 1.816 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000349934441 445726184 /nfs/dbraw/zinc/72/61/84/445726184.db2.gz HAJIVDSPCBACHI-LJQANCHMSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000349934441 445726190 /nfs/dbraw/zinc/72/61/90/445726190.db2.gz HAJIVDSPCBACHI-LJQANCHMSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](CNC(=O)NCCNc1cc[nH+]cc1)[N@@H+](C)Cc1ccccc1 ZINC000349983924 445741151 /nfs/dbraw/zinc/74/11/51/445741151.db2.gz CLFCRURYARLKGE-MRXNPFEDSA-N 2 1 341.459 1.735 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000363304083 445758860 /nfs/dbraw/zinc/75/88/60/445758860.db2.gz YNLKSDROMZKCLS-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000363304083 445758862 /nfs/dbraw/zinc/75/88/62/445758862.db2.gz YNLKSDROMZKCLS-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP CN(C)CC[NH+]1CCC(CNC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000353798246 445761182 /nfs/dbraw/zinc/76/11/82/445761182.db2.gz AFGJDYIUGSBOQX-GOSISDBHSA-N 2 1 338.540 1.641 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000353798246 445761186 /nfs/dbraw/zinc/76/11/86/445761186.db2.gz AFGJDYIUGSBOQX-GOSISDBHSA-N 2 1 338.540 1.641 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000353798246 445761190 /nfs/dbraw/zinc/76/11/90/445761190.db2.gz AFGJDYIUGSBOQX-GOSISDBHSA-N 2 1 338.540 1.641 20 0 EDADMP CC(C)N1CCC[C@@H]([N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1=O ZINC000363477997 445820109 /nfs/dbraw/zinc/82/01/09/445820109.db2.gz FDPFFUCEDPMKKY-ZWKOTPCHSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@H]1C[NH+](CCOC2CC[NH+](CC3(O)CCCC3)CC2)C[C@H](C)O1 ZINC000358875269 445826006 /nfs/dbraw/zinc/82/60/06/445826006.db2.gz SHVYWRBEFPDPGK-IRXDYDNUSA-N 2 1 340.508 1.882 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccnc(C[NH3+])c2)[C@H](C)C1 ZINC000361629026 445856090 /nfs/dbraw/zinc/85/60/90/445856090.db2.gz XGVCMYBZEKMURK-PBHICJAKSA-N 2 1 334.464 1.407 20 0 EDADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000372945632 445936725 /nfs/dbraw/zinc/93/67/25/445936725.db2.gz IATAGCWFKONVIX-UONOGXRCSA-N 2 1 333.436 1.358 20 0 EDADMP CC[NH+](CC)[C@H](CN1C(=O)N[C@H](Cc2cnc[nH]2)C1=O)c1ccco1 ZINC000359022235 445893149 /nfs/dbraw/zinc/89/31/49/445893149.db2.gz WRISMYGOXDDCAG-ZIAGYGMSSA-N 2 1 345.403 1.549 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C(=O)NC)cc2)C1 ZINC000354085743 445894077 /nfs/dbraw/zinc/89/40/77/445894077.db2.gz YHQFONPDXXJWNG-GOSISDBHSA-N 2 1 333.476 1.979 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000354087360 445894352 /nfs/dbraw/zinc/89/43/52/445894352.db2.gz ZQEVVQGYQWCYCL-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000364122847 445897058 /nfs/dbraw/zinc/89/70/58/445897058.db2.gz NTHLIPMZBWDSBE-IUVQAAGXSA-N 2 1 337.508 1.852 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C1CC1 ZINC000364143435 445897847 /nfs/dbraw/zinc/89/78/47/445897847.db2.gz MPTBQUHFUACDQJ-RDJZCZTQSA-N 2 1 331.464 1.468 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C1CC1 ZINC000364143435 445897852 /nfs/dbraw/zinc/89/78/52/445897852.db2.gz MPTBQUHFUACDQJ-RDJZCZTQSA-N 2 1 331.464 1.468 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C1CC1 ZINC000364143435 445897857 /nfs/dbraw/zinc/89/78/57/445897857.db2.gz MPTBQUHFUACDQJ-RDJZCZTQSA-N 2 1 331.464 1.468 20 0 EDADMP C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000356644515 445909497 /nfs/dbraw/zinc/90/94/97/445909497.db2.gz AMNOBLUNMICBQI-HZPDHXFCSA-N 2 1 340.512 1.659 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000365952863 445924755 /nfs/dbraw/zinc/92/47/55/445924755.db2.gz USJXGQCUQRLIRD-IBGZPJMESA-N 2 1 348.535 1.489 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNc2cccc(-n3ccnc3)n2)C[C@H](C)O1 ZINC000361794992 445952701 /nfs/dbraw/zinc/95/27/01/445952701.db2.gz AYMOWISPFAWJNS-GASCZTMLSA-N 2 1 329.448 2.567 20 0 EDADMP C[C@@H]1CN(C(C)(C)CNc2cccc(-n3ccnc3)n2)C[C@H](C)O1 ZINC000361794992 445952707 /nfs/dbraw/zinc/95/27/07/445952707.db2.gz AYMOWISPFAWJNS-GASCZTMLSA-N 2 1 329.448 2.567 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@@]2(F)CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000364864297 445963132 /nfs/dbraw/zinc/96/31/32/445963132.db2.gz GNDOTXDJJRESPE-IEBWSBKVSA-N 2 1 348.466 1.183 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@@]2(F)CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000364864297 445963139 /nfs/dbraw/zinc/96/31/39/445963139.db2.gz GNDOTXDJJRESPE-IEBWSBKVSA-N 2 1 348.466 1.183 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@@]2(F)CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000364864297 445963143 /nfs/dbraw/zinc/96/31/43/445963143.db2.gz GNDOTXDJJRESPE-IEBWSBKVSA-N 2 1 348.466 1.183 20 0 EDADMP COC1(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCOCC1 ZINC000373018245 445978562 /nfs/dbraw/zinc/97/85/62/445978562.db2.gz KKUFSIOTMVMTGF-UHFFFAOYSA-N 2 1 334.464 1.847 20 0 EDADMP C[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000356747913 445984253 /nfs/dbraw/zinc/98/42/53/445984253.db2.gz XLRRLKWBFUTYOZ-GOSISDBHSA-N 2 1 345.487 1.593 20 0 EDADMP C[N@@H+](CCO[C@@H]1CCCCO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373119436 446042574 /nfs/dbraw/zinc/04/25/74/446042574.db2.gz YQDRUCYJSGNWDF-ZWKOTPCHSA-N 2 1 325.497 1.630 20 0 EDADMP C[N@@H+](CCCCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000583549356 326092585 /nfs/dbraw/zinc/09/25/85/326092585.db2.gz BRAVEAGBINEBEU-FQEVSTJZSA-N 2 1 345.487 1.614 20 0 EDADMP C[NH+](CCCCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000583549356 326092587 /nfs/dbraw/zinc/09/25/87/326092587.db2.gz BRAVEAGBINEBEU-FQEVSTJZSA-N 2 1 345.487 1.614 20 0 EDADMP C[NH+](CCCCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000583549356 326092590 /nfs/dbraw/zinc/09/25/90/326092590.db2.gz BRAVEAGBINEBEU-FQEVSTJZSA-N 2 1 345.487 1.614 20 0 EDADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000583866867 326155354 /nfs/dbraw/zinc/15/53/54/326155354.db2.gz KHDXZGNKSPJYJR-OWSLCNJRSA-N 2 1 341.540 1.557 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000583866867 326155355 /nfs/dbraw/zinc/15/53/55/326155355.db2.gz KHDXZGNKSPJYJR-OWSLCNJRSA-N 2 1 341.540 1.557 20 0 EDADMP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000584042313 326187820 /nfs/dbraw/zinc/18/78/20/326187820.db2.gz VTLUTGNJYBUUBX-MSOLQXFVSA-N 2 1 330.476 1.826 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cccc(OC4CCCC4)c3)CCN2C1=O ZINC000584183501 326216965 /nfs/dbraw/zinc/21/69/65/326216965.db2.gz KRUIFRIWTATBAA-MAUKXSAKSA-N 2 1 329.444 1.752 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cccc(OC4CCCC4)c3)CCN2C1=O ZINC000584183501 326216969 /nfs/dbraw/zinc/21/69/69/326216969.db2.gz KRUIFRIWTATBAA-MAUKXSAKSA-N 2 1 329.444 1.752 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCN(c4ccccc4F)CC3)C[C@H]12 ZINC000351497096 446102045 /nfs/dbraw/zinc/10/20/45/446102045.db2.gz SPWSISYAADJLCN-HLLBOEOZSA-N 2 1 346.450 1.143 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCN(c4ccccc4F)CC3)C[C@H]12 ZINC000351497096 446102049 /nfs/dbraw/zinc/10/20/49/446102049.db2.gz SPWSISYAADJLCN-HLLBOEOZSA-N 2 1 346.450 1.143 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)C2=O)c1 ZINC000351498391 446103514 /nfs/dbraw/zinc/10/35/14/446103514.db2.gz VPUWSUJRBQMOOB-BIMQEMHKSA-N 2 1 345.443 1.478 20 0 EDADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000359267276 446103838 /nfs/dbraw/zinc/10/38/38/446103838.db2.gz VCOBWGAQZFUOEZ-IYBDPMFKSA-N 2 1 325.497 1.676 20 0 EDADMP CCC[NH+](C)CC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000359267276 446103845 /nfs/dbraw/zinc/10/38/45/446103845.db2.gz VCOBWGAQZFUOEZ-IYBDPMFKSA-N 2 1 325.497 1.676 20 0 EDADMP CCC[NH+](C)CC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000359267276 446103847 /nfs/dbraw/zinc/10/38/47/446103847.db2.gz VCOBWGAQZFUOEZ-IYBDPMFKSA-N 2 1 325.497 1.676 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000359338136 446158518 /nfs/dbraw/zinc/15/85/18/446158518.db2.gz AHGANEXSPTYRBM-AWEZNQCLSA-N 2 1 334.489 1.642 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000359338136 446158526 /nfs/dbraw/zinc/15/85/26/446158526.db2.gz AHGANEXSPTYRBM-AWEZNQCLSA-N 2 1 334.489 1.642 20 0 EDADMP O=C(NCC[NH+]1CCc2sccc2C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359338136 446158532 /nfs/dbraw/zinc/15/85/32/446158532.db2.gz AHGANEXSPTYRBM-AWEZNQCLSA-N 2 1 334.489 1.642 20 0 EDADMP O=C(NCC[NH+]1CCc2sccc2C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000359338136 446158541 /nfs/dbraw/zinc/15/85/41/446158541.db2.gz AHGANEXSPTYRBM-AWEZNQCLSA-N 2 1 334.489 1.642 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C[C@@H]1C ZINC000365374658 446175168 /nfs/dbraw/zinc/17/51/68/446175168.db2.gz BYPZXYHIEFKSFW-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C[C@@H]1C ZINC000365374658 446175174 /nfs/dbraw/zinc/17/51/74/446175174.db2.gz BYPZXYHIEFKSFW-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC000365374658 446175176 /nfs/dbraw/zinc/17/51/76/446175176.db2.gz BYPZXYHIEFKSFW-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC000365374658 446175181 /nfs/dbraw/zinc/17/51/81/446175181.db2.gz BYPZXYHIEFKSFW-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)C[NH+]1CCCC1 ZINC000369659518 446142052 /nfs/dbraw/zinc/14/20/52/446142052.db2.gz UNYAQKOLJBNMTJ-XDNAFOTISA-N 2 1 334.508 1.844 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369669190 446145206 /nfs/dbraw/zinc/14/52/06/446145206.db2.gz XVVGWXBBVVOJPT-OWSLCNJRSA-N 2 1 334.508 1.987 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C[NH2+]CC3CC3)[C@@H](C)C2)s1 ZINC000366319541 446148094 /nfs/dbraw/zinc/14/80/94/446148094.db2.gz CDXRJCZSCNEMNU-LRDDRELGSA-N 2 1 336.505 1.778 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366329873 446155302 /nfs/dbraw/zinc/15/53/02/446155302.db2.gz ZKAPHPSQSIVJMN-MAUKXSAKSA-N 3 1 338.540 1.672 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365426825 446202878 /nfs/dbraw/zinc/20/28/78/446202878.db2.gz LMICBGUIHNVLEC-UHFFFAOYSA-N 2 1 326.485 1.271 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C3CC3)CC2)C1 ZINC000366426847 446209872 /nfs/dbraw/zinc/20/98/72/446209872.db2.gz HIDAZOHYQMNXPN-SFHVURJKSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000351618961 446213513 /nfs/dbraw/zinc/21/35/13/446213513.db2.gz DMBUMDDXFASJJL-CBZIJGRNSA-N 2 1 337.508 1.721 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000351618961 446213515 /nfs/dbraw/zinc/21/35/15/446213515.db2.gz DMBUMDDXFASJJL-CBZIJGRNSA-N 2 1 337.508 1.721 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNc3nccn4cnnc34)CC2)CC1 ZINC000370318226 446228430 /nfs/dbraw/zinc/22/84/30/446228430.db2.gz SYWNXURVSAXYCN-UHFFFAOYSA-N 2 1 343.479 1.733 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)CCCO1 ZINC000365493222 446230688 /nfs/dbraw/zinc/23/06/88/446230688.db2.gz AGOQSVMXIUUWPN-HOTGVXAUSA-N 2 1 349.479 1.800 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC000366491878 446235408 /nfs/dbraw/zinc/23/54/08/446235408.db2.gz SNWAJJQXGFAELW-GOSISDBHSA-N 2 1 334.464 1.591 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC000366491878 446235415 /nfs/dbraw/zinc/23/54/15/446235415.db2.gz SNWAJJQXGFAELW-GOSISDBHSA-N 2 1 334.464 1.591 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC000366491878 446235419 /nfs/dbraw/zinc/23/54/19/446235419.db2.gz SNWAJJQXGFAELW-GOSISDBHSA-N 2 1 334.464 1.591 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000366491878 446235424 /nfs/dbraw/zinc/23/54/24/446235424.db2.gz SNWAJJQXGFAELW-GOSISDBHSA-N 2 1 334.464 1.591 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCOC)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000362159606 446241322 /nfs/dbraw/zinc/24/13/22/446241322.db2.gz VYZBEFFOFUYQJQ-NVXWUHKLSA-N 2 1 325.497 1.724 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000370389313 446258199 /nfs/dbraw/zinc/25/81/99/446258199.db2.gz JVEAVCGUONEGLT-UHFFFAOYSA-N 2 1 349.523 1.915 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000370389313 446258204 /nfs/dbraw/zinc/25/82/04/446258204.db2.gz JVEAVCGUONEGLT-UHFFFAOYSA-N 2 1 349.523 1.915 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000366554384 446260250 /nfs/dbraw/zinc/26/02/50/446260250.db2.gz JYIJEDJXHMJHDE-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP CN(C)CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000366554384 446260253 /nfs/dbraw/zinc/26/02/53/446260253.db2.gz JYIJEDJXHMJHDE-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP CN(C)CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000366554384 446260255 /nfs/dbraw/zinc/26/02/55/446260255.db2.gz JYIJEDJXHMJHDE-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP CN(CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)CC[NH+](C)C ZINC000366554384 446260256 /nfs/dbraw/zinc/26/02/56/446260256.db2.gz JYIJEDJXHMJHDE-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP CN(CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CC[NH+](C)C ZINC000366554384 446260258 /nfs/dbraw/zinc/26/02/58/446260258.db2.gz JYIJEDJXHMJHDE-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000370407757 446264418 /nfs/dbraw/zinc/26/44/18/446264418.db2.gz RVMUOAASHZKSOJ-QGZVFWFLSA-N 2 1 325.497 1.820 20 0 EDADMP C[NH+](C)CCN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000362236130 446278637 /nfs/dbraw/zinc/27/86/37/446278637.db2.gz IXTJLPXTZSKYSO-IAGOWNOFSA-N 2 1 338.496 1.365 20 0 EDADMP COc1ccc([C@@H]2[C@@H](CNC(=O)C[C@H](C[NH3+])OC)CCC[N@H+]2C)cc1 ZINC000365709617 446309821 /nfs/dbraw/zinc/30/98/21/446309821.db2.gz DZUBOXJAOVHALK-SZVBFZGTSA-N 2 1 349.475 1.558 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000359605920 446315975 /nfs/dbraw/zinc/31/59/75/446315975.db2.gz YAZTWGWYTSDWCT-SFHVURJKSA-N 2 1 344.499 1.951 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]C[C@@H]1CCSC1 ZINC000366749004 446333157 /nfs/dbraw/zinc/33/31/57/446333157.db2.gz YMTKMJWWSMXOAC-HNNXBMFYSA-N 2 1 337.537 1.713 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000373861055 446338451 /nfs/dbraw/zinc/33/84/51/446338451.db2.gz XAIPTFOWLVYMFO-AJYBTWMASA-N 2 1 348.535 1.393 20 0 EDADMP CCOC(=O)CCCNC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075220 446351146 /nfs/dbraw/zinc/35/11/46/446351146.db2.gz QYYURHDBMMQATE-UHFFFAOYSA-N 2 1 339.480 1.254 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417573073 446365472 /nfs/dbraw/zinc/36/54/72/446365472.db2.gz WJLMTKFGXFTCMF-HOTGVXAUSA-N 2 1 326.485 1.304 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417667781 446369051 /nfs/dbraw/zinc/36/90/51/446369051.db2.gz IZMPMUGHHZVHGU-QYZOEREBSA-N 2 1 342.487 1.902 20 0 EDADMP CC[C@@H](NC(=O)NC[C@@H]([NH3+])CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417895044 446377535 /nfs/dbraw/zinc/37/75/35/446377535.db2.gz OJAIKZZWBLMDQT-KSZLIROESA-N 2 1 348.491 1.703 20 0 EDADMP CC[C@@H](NC(=O)NC[C@@H]([NH3+])CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417895044 446377536 /nfs/dbraw/zinc/37/75/36/446377536.db2.gz OJAIKZZWBLMDQT-KSZLIROESA-N 2 1 348.491 1.703 20 0 EDADMP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370676292 446382511 /nfs/dbraw/zinc/38/25/11/446382511.db2.gz IXQXWFIWVWGSIB-ZJPYXAASSA-N 2 1 328.497 1.499 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)C1CC1 ZINC000365875799 446383412 /nfs/dbraw/zinc/38/34/12/446383412.db2.gz IHSFCTAGHBMLJB-OAHLLOKOSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C1CC1 ZINC000365875799 446383417 /nfs/dbraw/zinc/38/34/17/446383417.db2.gz IHSFCTAGHBMLJB-OAHLLOKOSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C1CC1 ZINC000365875799 446383421 /nfs/dbraw/zinc/38/34/21/446383421.db2.gz IHSFCTAGHBMLJB-OAHLLOKOSA-N 2 1 338.496 1.365 20 0 EDADMP CO[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)[C@H](C[NH3+])C1 ZINC000417915262 446384987 /nfs/dbraw/zinc/38/49/87/446384987.db2.gz UEBOTNMUHXIHHB-IXDOHACOSA-N 2 1 340.512 1.502 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC000365895566 446393201 /nfs/dbraw/zinc/39/32/01/446393201.db2.gz MGIJXAGTHSTBNF-KEYYUXOJSA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC000365895566 446393205 /nfs/dbraw/zinc/39/32/05/446393205.db2.gz MGIJXAGTHSTBNF-KEYYUXOJSA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC000365895566 446393206 /nfs/dbraw/zinc/39/32/06/446393206.db2.gz MGIJXAGTHSTBNF-KEYYUXOJSA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC000365895566 446393211 /nfs/dbraw/zinc/39/32/11/446393211.db2.gz MGIJXAGTHSTBNF-KEYYUXOJSA-N 2 1 329.460 1.112 20 0 EDADMP C[N@@H+](CCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Cc1ccc(F)cc1 ZINC000376336229 446436448 /nfs/dbraw/zinc/43/64/48/446436448.db2.gz VBSWNZSXKVYNKS-RTBURBONSA-N 2 1 335.467 1.789 20 0 EDADMP COC(=O)C(C)(C)CC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374809470 446402082 /nfs/dbraw/zinc/40/20/82/446402082.db2.gz IJHNMTKAAFTJRD-MRXNPFEDSA-N 2 1 325.497 1.676 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000420284621 446451516 /nfs/dbraw/zinc/45/15/16/446451516.db2.gz URNZQCLQHCFLCM-INIZCTEOSA-N 2 1 327.432 1.988 20 0 EDADMP CCC[NH2+]CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418000794 446411537 /nfs/dbraw/zinc/41/15/37/446411537.db2.gz WEXBEWVMAWTXIZ-KRWDZBQOSA-N 2 1 334.464 1.052 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418006675 446413793 /nfs/dbraw/zinc/41/37/93/446413793.db2.gz MOPBJNXEXNCDDP-LZLYRXPVSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CCC[N@H+]1C ZINC000418012358 446415731 /nfs/dbraw/zinc/41/57/31/446415731.db2.gz XWJCBGKWLKSEOJ-XLNGHYISSA-N 2 1 338.496 1.397 20 0 EDADMP Cc1cc(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)n(C)n1 ZINC000418014581 446416562 /nfs/dbraw/zinc/41/65/62/446416562.db2.gz COYZQHOSUMTTLU-ZFWWWQNUSA-N 2 1 347.442 1.291 20 0 EDADMP [NH3+]CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000418226842 446464973 /nfs/dbraw/zinc/46/49/73/446464973.db2.gz PVBZVPQNBURTNE-QGZVFWFLSA-N 2 1 346.475 1.173 20 0 EDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000423271536 446470629 /nfs/dbraw/zinc/47/06/29/446470629.db2.gz XXSSFCZLLPJOST-AAEUAGOBSA-N 2 1 330.270 1.962 20 0 EDADMP CCc1nc(CN2C[C@@H]3C[N@H+](CCC[NH+]4CCCCC4)C[C@@H]3C2)no1 ZINC000376406151 446479512 /nfs/dbraw/zinc/47/95/12/446479512.db2.gz CMUOVDYQJSARNN-CALCHBBNSA-N 2 1 347.507 1.872 20 0 EDADMP C[C@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)[N@H+]1CCCC[C@H]1C ZINC000423319192 446485881 /nfs/dbraw/zinc/48/58/81/446485881.db2.gz DCKRREWGDUQRSV-OAGGEKHMSA-N 2 1 347.507 1.880 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)[NH+]1CCOCC1 ZINC000423320752 446487741 /nfs/dbraw/zinc/48/77/41/446487741.db2.gz MPJVQVLOEKEKQX-OIISXLGYSA-N 2 1 325.497 1.628 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000420326301 446492390 /nfs/dbraw/zinc/49/23/90/446492390.db2.gz JSJKKPUGTOSUST-OAHLLOKOSA-N 2 1 348.443 1.872 20 0 EDADMP Cc1ccc(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1F ZINC000420327153 446495882 /nfs/dbraw/zinc/49/58/82/446495882.db2.gz KRYGVKBHBHBBGW-INIZCTEOSA-N 2 1 349.450 1.438 20 0 EDADMP Cc1ccc(CNC(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1F ZINC000420327153 446495886 /nfs/dbraw/zinc/49/58/86/446495886.db2.gz KRYGVKBHBHBBGW-INIZCTEOSA-N 2 1 349.450 1.438 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)CC[NH2+]C1 ZINC000423334852 446493259 /nfs/dbraw/zinc/49/32/59/446493259.db2.gz STEVYLUZQBJGQY-DYVFJYSZSA-N 2 1 337.489 1.237 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CC[NH2+]C1 ZINC000423334852 446493266 /nfs/dbraw/zinc/49/32/66/446493266.db2.gz STEVYLUZQBJGQY-DYVFJYSZSA-N 2 1 337.489 1.237 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000423364571 446502090 /nfs/dbraw/zinc/50/20/90/446502090.db2.gz OSVZGWLSRHXFQY-JTDSTZFVSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000423364571 446502099 /nfs/dbraw/zinc/50/20/99/446502099.db2.gz OSVZGWLSRHXFQY-JTDSTZFVSA-N 2 1 345.487 1.912 20 0 EDADMP CCc1ccnc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000374997332 446503165 /nfs/dbraw/zinc/50/31/65/446503165.db2.gz JWCKUKWJKVUKDN-KRWDZBQOSA-N 2 1 330.476 1.885 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@H](N)c2c(F)cccc2F)CC[N@@H+]1CCOC ZINC000423374662 446507255 /nfs/dbraw/zinc/50/72/55/446507255.db2.gz CPZFJDAGPATCIQ-LRDDRELGSA-N 2 1 341.402 1.534 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@H](N)c2c(F)cccc2F)CC[N@H+]1CCOC ZINC000423374662 446507261 /nfs/dbraw/zinc/50/72/61/446507261.db2.gz CPZFJDAGPATCIQ-LRDDRELGSA-N 2 1 341.402 1.534 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000423378514 446510776 /nfs/dbraw/zinc/51/07/76/446510776.db2.gz FZIXLUHXACMKEQ-RDJZCZTQSA-N 2 1 333.476 1.892 20 0 EDADMP COCC[N@H+]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000423378514 446510782 /nfs/dbraw/zinc/51/07/82/446510782.db2.gz FZIXLUHXACMKEQ-RDJZCZTQSA-N 2 1 333.476 1.892 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000420328902 446496630 /nfs/dbraw/zinc/49/66/30/446496630.db2.gz NKICXWONVKQDSY-BZSNNMDCSA-N 2 1 343.471 1.428 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)C1 ZINC000423358997 446500212 /nfs/dbraw/zinc/50/02/12/446500212.db2.gz CORVJNCABMVKCX-OAHLLOKOSA-N 2 1 344.459 1.451 20 0 EDADMP [NH3+][C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000418482931 446559030 /nfs/dbraw/zinc/55/90/30/446559030.db2.gz BKWVPIIUEVMBAR-QGZVFWFLSA-N 2 1 334.439 1.780 20 0 EDADMP [NH3+][C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000418482931 446559035 /nfs/dbraw/zinc/55/90/35/446559035.db2.gz BKWVPIIUEVMBAR-QGZVFWFLSA-N 2 1 334.439 1.780 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)ccc1C[NH+](C)C ZINC000411478448 446562927 /nfs/dbraw/zinc/56/29/27/446562927.db2.gz KCWSUYFULVWBMR-UHFFFAOYSA-N 2 1 344.459 1.373 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)ccc1C[NH+](C)C ZINC000411478448 446562932 /nfs/dbraw/zinc/56/29/32/446562932.db2.gz KCWSUYFULVWBMR-UHFFFAOYSA-N 2 1 344.459 1.373 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1C[NH2+]C1 ZINC000418489339 446563845 /nfs/dbraw/zinc/56/38/45/446563845.db2.gz OCSFSXACPBMNAA-QGZVFWFLSA-N 2 1 330.476 1.759 20 0 EDADMP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420344045 446517277 /nfs/dbraw/zinc/51/72/77/446517277.db2.gz RUWVWVASAFOYBT-HOTGVXAUSA-N 2 1 344.459 1.905 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000367194399 446520400 /nfs/dbraw/zinc/52/04/00/446520400.db2.gz ZCDCKZMUCPPPGT-ROUUACIJSA-N 2 1 331.460 1.473 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346883 446520770 /nfs/dbraw/zinc/52/07/70/446520770.db2.gz ZHXWPLBBADOOTB-JKSUJKDBSA-N 2 1 341.455 1.994 20 0 EDADMP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420346674 446521361 /nfs/dbraw/zinc/52/13/61/446521361.db2.gz XDRQIOWRESIGTD-GASCZTMLSA-N 2 1 330.432 1.515 20 0 EDADMP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346758 446521912 /nfs/dbraw/zinc/52/19/12/446521912.db2.gz DNIZRZYNXDNHSS-MAUKXSAKSA-N 2 1 348.466 1.152 20 0 EDADMP O=C(CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1 ZINC000420348085 446522836 /nfs/dbraw/zinc/52/28/36/446522836.db2.gz JMKYYEWQWQXGEF-INIZCTEOSA-N 2 1 336.867 1.648 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)cn1 ZINC000418400576 446529331 /nfs/dbraw/zinc/52/93/31/446529331.db2.gz FXFGRDMGFFOFOA-IAGOWNOFSA-N 2 1 348.495 1.248 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)cn1 ZINC000418400576 446529337 /nfs/dbraw/zinc/52/93/37/446529337.db2.gz FXFGRDMGFFOFOA-IAGOWNOFSA-N 2 1 348.495 1.248 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423426211 446531081 /nfs/dbraw/zinc/53/10/81/446531081.db2.gz HLKAKFMVNJBZHM-SJORKVTESA-N 2 1 347.459 1.247 20 0 EDADMP COC(=O)[C@H](C)C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000420355291 446535626 /nfs/dbraw/zinc/53/56/26/446535626.db2.gz FEQHXXACYCAYLK-MRXNPFEDSA-N 2 1 347.459 1.120 20 0 EDADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420378261 446554295 /nfs/dbraw/zinc/55/42/95/446554295.db2.gz LXUDQXHBIRXIRA-HOCLYGCPSA-N 2 1 336.484 1.267 20 0 EDADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420378261 446554299 /nfs/dbraw/zinc/55/42/99/446554299.db2.gz LXUDQXHBIRXIRA-HOCLYGCPSA-N 2 1 336.484 1.267 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000418608950 446614702 /nfs/dbraw/zinc/61/47/02/446614702.db2.gz ZNOCORIYOUCDQT-MRXNPFEDSA-N 2 1 348.491 1.911 20 0 EDADMP CC[NH+]1CCC(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000433995620 446615158 /nfs/dbraw/zinc/61/51/58/446615158.db2.gz VHXOVJLQRCLXJK-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1CCC(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000433995620 446615166 /nfs/dbraw/zinc/61/51/66/446615166.db2.gz VHXOVJLQRCLXJK-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC2([NH+](C)C)CCC2)CCCO1 ZINC000433403333 446570243 /nfs/dbraw/zinc/57/02/43/446570243.db2.gz NUTVMKLSLJSTHF-OAHLLOKOSA-N 2 1 326.485 1.271 20 0 EDADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420398074 446571684 /nfs/dbraw/zinc/57/16/84/446571684.db2.gz YJAIKSOJKMOOAB-ZDUSSCGKSA-N 2 1 341.839 1.727 20 0 EDADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420398074 446571687 /nfs/dbraw/zinc/57/16/87/446571687.db2.gz YJAIKSOJKMOOAB-ZDUSSCGKSA-N 2 1 341.839 1.727 20 0 EDADMP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420397847 446572321 /nfs/dbraw/zinc/57/23/21/446572321.db2.gz GKOUKXMGSHMOEY-YCPHGPKFSA-N 2 1 332.448 1.318 20 0 EDADMP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420397847 446572324 /nfs/dbraw/zinc/57/23/24/446572324.db2.gz GKOUKXMGSHMOEY-YCPHGPKFSA-N 2 1 332.448 1.318 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH3+])CC1)c1cc2ccccc2o1 ZINC000420402429 446575202 /nfs/dbraw/zinc/57/52/02/446575202.db2.gz IUIFQXVFJFUSLE-KGLIPLIRSA-N 2 1 345.443 1.784 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000367766920 446588425 /nfs/dbraw/zinc/58/84/25/446588425.db2.gz GVTUQADNBIWSCI-DOTOQJQBSA-N 2 1 344.459 1.239 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418696916 446651883 /nfs/dbraw/zinc/65/18/83/446651883.db2.gz LBYRFMGNPKOKNE-UOVPBQLFSA-N 2 1 330.476 1.886 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC2CC3)[C@H]1c1ccccc1 ZINC000375225434 446654036 /nfs/dbraw/zinc/65/40/36/446654036.db2.gz CQUXEHNTXTXSTE-ZWKOTPCHSA-N 2 1 328.460 1.921 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC1CC2 ZINC000375227153 446655478 /nfs/dbraw/zinc/65/54/78/446655478.db2.gz KTNYBNZEUOFJJB-SFHVURJKSA-N 2 1 342.487 1.998 20 0 EDADMP O[C@@H](COC1CCOCC1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371205245 446688179 /nfs/dbraw/zinc/68/81/79/446688179.db2.gz PVCSZHNJQOIDHL-QZTJIDSGSA-N 2 1 340.508 1.741 20 0 EDADMP O[C@@H](COC1CCOCC1)C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371205245 446688181 /nfs/dbraw/zinc/68/81/81/446688181.db2.gz PVCSZHNJQOIDHL-QZTJIDSGSA-N 2 1 340.508 1.741 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000423914459 446763905 /nfs/dbraw/zinc/76/39/05/446763905.db2.gz XXEWJPJOOIYHES-SQWLQELKSA-N 2 1 331.464 1.433 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437844327 446765609 /nfs/dbraw/zinc/76/56/09/446765609.db2.gz IBZYFSYDAPBGIK-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C[C@@H]1C ZINC000438881616 446800644 /nfs/dbraw/zinc/80/06/44/446800644.db2.gz GHAGSYHPFVAENV-YOEHRIQHSA-N 2 1 344.459 1.217 20 0 EDADMP COCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C[C@@H]1C ZINC000438881616 446800650 /nfs/dbraw/zinc/80/06/50/446800650.db2.gz GHAGSYHPFVAENV-YOEHRIQHSA-N 2 1 344.459 1.217 20 0 EDADMP COc1c(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C)nn1C ZINC000371326381 446777194 /nfs/dbraw/zinc/77/71/94/446777194.db2.gz IQNJJJCKVLRUGP-INIZCTEOSA-N 2 1 335.496 1.337 20 0 EDADMP COc1c(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C)nn1C ZINC000371326381 446777202 /nfs/dbraw/zinc/77/72/02/446777202.db2.gz IQNJJJCKVLRUGP-INIZCTEOSA-N 2 1 335.496 1.337 20 0 EDADMP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000368327868 446789142 /nfs/dbraw/zinc/78/91/42/446789142.db2.gz NBVVYHMWKQYXSR-GJZGRUSLSA-N 2 1 333.457 1.958 20 0 EDADMP CCOC(=O)[C@@](C)(O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375476687 446830913 /nfs/dbraw/zinc/83/09/13/446830913.db2.gz SMSWQBKGNURFJP-LMMKCTJWSA-N 2 1 334.460 1.973 20 0 EDADMP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1C[NH3+] ZINC000424064000 446836355 /nfs/dbraw/zinc/83/63/55/446836355.db2.gz DKFDIZLONBQGIO-UKBAYJJMSA-N 2 1 345.487 1.719 20 0 EDADMP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1C[NH3+] ZINC000424064000 446836359 /nfs/dbraw/zinc/83/63/59/446836359.db2.gz DKFDIZLONBQGIO-UKBAYJJMSA-N 2 1 345.487 1.719 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000371362378 446806860 /nfs/dbraw/zinc/80/68/60/446806860.db2.gz VXCPTIOMSAWWQT-UHFFFAOYSA-N 2 1 347.507 1.600 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000371362378 446806867 /nfs/dbraw/zinc/80/68/67/446806867.db2.gz VXCPTIOMSAWWQT-UHFFFAOYSA-N 2 1 347.507 1.600 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)C[C@@H](C)O1 ZINC000423987688 446807946 /nfs/dbraw/zinc/80/79/46/446807946.db2.gz HUUVNOWEBIRNSW-RKVPGOIHSA-N 2 1 347.459 1.014 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000368454861 446872571 /nfs/dbraw/zinc/87/25/71/446872571.db2.gz MHTURTNXURFEIC-SFHVURJKSA-N 2 1 333.476 1.734 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000368454861 446872576 /nfs/dbraw/zinc/87/25/76/446872576.db2.gz MHTURTNXURFEIC-SFHVURJKSA-N 2 1 333.476 1.734 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000368454861 446872585 /nfs/dbraw/zinc/87/25/85/446872585.db2.gz MHTURTNXURFEIC-SFHVURJKSA-N 2 1 333.476 1.734 20 0 EDADMP COCC[C@]1([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCOC1 ZINC000420915868 446884893 /nfs/dbraw/zinc/88/48/93/446884893.db2.gz GGTGENKXUTVOLG-IBGZPJMESA-N 2 1 334.460 1.804 20 0 EDADMP COc1cccc(CNC(=O)[C@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)c1 ZINC000371491132 446888100 /nfs/dbraw/zinc/88/81/00/446888100.db2.gz LQUDPADGTCTWBK-GOEBONIOSA-N 2 1 342.443 1.809 20 0 EDADMP C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)CC2 ZINC000371520116 446910939 /nfs/dbraw/zinc/91/09/39/446910939.db2.gz QEXNNEDOYGYTBS-KRWDZBQOSA-N 2 1 335.492 1.717 20 0 EDADMP C[NH+]1CCCC12CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)CC2 ZINC000371520116 446910944 /nfs/dbraw/zinc/91/09/44/446910944.db2.gz QEXNNEDOYGYTBS-KRWDZBQOSA-N 2 1 335.492 1.717 20 0 EDADMP C[NH+]1CCCC12CCN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CC2 ZINC000371520116 446910948 /nfs/dbraw/zinc/91/09/48/446910948.db2.gz QEXNNEDOYGYTBS-KRWDZBQOSA-N 2 1 335.492 1.717 20 0 EDADMP CSCCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000377118160 446931729 /nfs/dbraw/zinc/93/17/29/446931729.db2.gz ZHXYFQMPHWBYKJ-HNNXBMFYSA-N 2 1 331.526 1.144 20 0 EDADMP CSCCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000377118160 446931734 /nfs/dbraw/zinc/93/17/34/446931734.db2.gz ZHXYFQMPHWBYKJ-HNNXBMFYSA-N 2 1 331.526 1.144 20 0 EDADMP CSCCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000377118160 446931738 /nfs/dbraw/zinc/93/17/38/446931738.db2.gz ZHXYFQMPHWBYKJ-HNNXBMFYSA-N 2 1 331.526 1.144 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000442765826 446957451 /nfs/dbraw/zinc/95/74/51/446957451.db2.gz JVOIKHOKPUGXIN-TZMCWYRMSA-N 2 1 341.402 1.916 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000442765826 446957453 /nfs/dbraw/zinc/95/74/53/446957453.db2.gz JVOIKHOKPUGXIN-TZMCWYRMSA-N 2 1 341.402 1.916 20 0 EDADMP C[N@H+]1CC[C@H](Nc2ccc3c(c2)CN(CC(N)=O)CC3)[C@@H]2CCC[C@@H]21 ZINC000368608365 446977901 /nfs/dbraw/zinc/97/79/01/446977901.db2.gz NYBRLJMVAONSEP-FHWLQOOXSA-N 2 1 342.487 1.815 20 0 EDADMP C[N@@H+]1CC[C@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)[C@@H]2CCC[C@@H]21 ZINC000368608365 446977906 /nfs/dbraw/zinc/97/79/06/446977906.db2.gz NYBRLJMVAONSEP-FHWLQOOXSA-N 2 1 342.487 1.815 20 0 EDADMP C[N@H+]1CC[C@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)[C@@H]2CCC[C@@H]21 ZINC000368608365 446977907 /nfs/dbraw/zinc/97/79/07/446977907.db2.gz NYBRLJMVAONSEP-FHWLQOOXSA-N 2 1 342.487 1.815 20 0 EDADMP C[NH+]1CC[C@H](Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)[C@@H]2CCC[C@@H]21 ZINC000368608365 446977910 /nfs/dbraw/zinc/97/79/10/446977910.db2.gz NYBRLJMVAONSEP-FHWLQOOXSA-N 2 1 342.487 1.815 20 0 EDADMP C[NH+]1CC[C@H](Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)[C@@H]2CCC[C@@H]21 ZINC000368608365 446977913 /nfs/dbraw/zinc/97/79/13/446977913.db2.gz NYBRLJMVAONSEP-FHWLQOOXSA-N 2 1 342.487 1.815 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC000372299062 447035399 /nfs/dbraw/zinc/03/53/99/447035399.db2.gz VOGURENKKNXBTO-MRXNPFEDSA-N 2 1 342.447 1.753 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC000372299062 447035406 /nfs/dbraw/zinc/03/54/06/447035406.db2.gz VOGURENKKNXBTO-MRXNPFEDSA-N 2 1 342.447 1.753 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000368795426 447112625 /nfs/dbraw/zinc/11/26/25/447112625.db2.gz GBLUTKJQLDEHNP-KBAYOESNSA-N 2 1 331.460 1.344 20 0 EDADMP COCCCC[N@@H+](C)CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000419398397 447151017 /nfs/dbraw/zinc/15/10/17/447151017.db2.gz ZRJIPIKXUAMFSW-UHFFFAOYSA-N 2 1 339.505 1.751 20 0 EDADMP C[C@H](CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[NH+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000425527790 447213037 /nfs/dbraw/zinc/21/30/37/447213037.db2.gz NYOQYKTVFLDPGS-SCDLFQHWSA-N 2 1 336.520 1.951 20 0 EDADMP C[C@H](CC[NH+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000425527790 447213043 /nfs/dbraw/zinc/21/30/43/447213043.db2.gz NYOQYKTVFLDPGS-SCDLFQHWSA-N 2 1 336.520 1.951 20 0 EDADMP C[C@H](CC[NH+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000425527790 447213049 /nfs/dbraw/zinc/21/30/49/447213049.db2.gz NYOQYKTVFLDPGS-SCDLFQHWSA-N 2 1 336.520 1.951 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419444111 447179997 /nfs/dbraw/zinc/17/99/97/447179997.db2.gz SQEIBTBOVSWDDD-HRCADAONSA-N 2 1 328.501 1.059 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000419482143 447213557 /nfs/dbraw/zinc/21/35/57/447213557.db2.gz PVVHIMUSAZEFCI-HNNXBMFYSA-N 2 1 340.512 1.248 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)Cc1ccccc1 ZINC000425648567 447252163 /nfs/dbraw/zinc/25/21/63/447252163.db2.gz VBJSWYKCOMAZFD-GBESFXJTSA-N 2 1 344.503 1.895 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000419527065 447242348 /nfs/dbraw/zinc/24/23/48/447242348.db2.gz UUVOFCVLBQQFNB-DLBZAZTESA-N 2 1 340.512 1.349 20 0 EDADMP CCC[C@@H](C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2)N(C)C ZINC000447677363 447286358 /nfs/dbraw/zinc/28/63/58/447286358.db2.gz FUJAKPYJZYKLLV-INIZCTEOSA-N 2 1 332.448 1.199 20 0 EDADMP COC[C@@]1(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000379673180 447453793 /nfs/dbraw/zinc/45/37/93/447453793.db2.gz PJEUWVKZFORGNZ-VQIMIIECSA-N 2 1 333.476 1.639 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000458731047 447465661 /nfs/dbraw/zinc/46/56/61/447465661.db2.gz SCFJQGBYIAMIMZ-IAGOWNOFSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000458731047 447465666 /nfs/dbraw/zinc/46/56/66/447465666.db2.gz SCFJQGBYIAMIMZ-IAGOWNOFSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000458731047 447465671 /nfs/dbraw/zinc/46/56/71/447465671.db2.gz SCFJQGBYIAMIMZ-IAGOWNOFSA-N 2 1 340.512 1.611 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000458809456 447480371 /nfs/dbraw/zinc/48/03/71/447480371.db2.gz NBYXBJZQZNVMFQ-HRCADAONSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000458809456 447480375 /nfs/dbraw/zinc/48/03/75/447480375.db2.gz NBYXBJZQZNVMFQ-HRCADAONSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000458809456 447480378 /nfs/dbraw/zinc/48/03/78/447480378.db2.gz NBYXBJZQZNVMFQ-HRCADAONSA-N 2 1 328.501 1.203 20 0 EDADMP CC(C)[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)N1CC[NH+](C)CC1 ZINC000392336437 447522631 /nfs/dbraw/zinc/52/26/31/447522631.db2.gz WRFAKPRRIMLVLD-QGZVFWFLSA-N 2 1 338.540 1.674 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000457133176 447531864 /nfs/dbraw/zinc/53/18/64/447531864.db2.gz UTEPDMREQUBGGA-RTBURBONSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000457133176 447531871 /nfs/dbraw/zinc/53/18/71/447531871.db2.gz UTEPDMREQUBGGA-RTBURBONSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000457133176 447531875 /nfs/dbraw/zinc/53/18/75/447531875.db2.gz UTEPDMREQUBGGA-RTBURBONSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000457133176 447531881 /nfs/dbraw/zinc/53/18/81/447531881.db2.gz UTEPDMREQUBGGA-RTBURBONSA-N 2 1 345.487 1.829 20 0 EDADMP CCN1CCOC[C@H]1C(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC000427253971 447568982 /nfs/dbraw/zinc/56/89/82/447568982.db2.gz UZPRJYSKMVNNCK-LBPRGKRZSA-N 2 1 325.375 1.098 20 0 EDADMP CCN(CCNC(=O)[C@@H]1COCCN1CC)CCC(F)(F)F ZINC000427253971 447568989 /nfs/dbraw/zinc/56/89/89/447568989.db2.gz UZPRJYSKMVNNCK-LBPRGKRZSA-N 2 1 325.375 1.098 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(c2nc(N[C@H]3CCCO[C@H]3C(C)C)cc[nH+]2)C1 ZINC000420117839 447612530 /nfs/dbraw/zinc/61/25/30/447612530.db2.gz HWLYHNPNZUIQNC-BQFCYCMXSA-N 2 1 347.507 2.528 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000459285686 447628762 /nfs/dbraw/zinc/62/87/62/447628762.db2.gz FFIRNTLIEVYVEY-KRWDZBQOSA-N 2 1 341.544 1.243 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459285686 447628769 /nfs/dbraw/zinc/62/87/69/447628769.db2.gz FFIRNTLIEVYVEY-KRWDZBQOSA-N 2 1 341.544 1.243 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459285686 447628774 /nfs/dbraw/zinc/62/87/74/447628774.db2.gz FFIRNTLIEVYVEY-KRWDZBQOSA-N 2 1 341.544 1.243 20 0 EDADMP CN(CCCN(C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)CC[NH+](C)C ZINC000459285686 447628781 /nfs/dbraw/zinc/62/87/81/447628781.db2.gz FFIRNTLIEVYVEY-KRWDZBQOSA-N 2 1 341.544 1.243 20 0 EDADMP CN(CCCN(C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)CC[NH+](C)C ZINC000459285686 447628786 /nfs/dbraw/zinc/62/87/86/447628786.db2.gz FFIRNTLIEVYVEY-KRWDZBQOSA-N 2 1 341.544 1.243 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000416861971 447697742 /nfs/dbraw/zinc/69/77/42/447697742.db2.gz FOUPYKXSEDFIQV-HOTGVXAUSA-N 2 1 326.485 1.032 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000457932418 447677081 /nfs/dbraw/zinc/67/70/81/447677081.db2.gz MASHMLLAJAIRSU-BRWVUGGUSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000457932418 447677088 /nfs/dbraw/zinc/67/70/88/447677088.db2.gz MASHMLLAJAIRSU-BRWVUGGUSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000457932418 447677097 /nfs/dbraw/zinc/67/70/97/447677097.db2.gz MASHMLLAJAIRSU-BRWVUGGUSA-N 2 1 340.512 1.253 20 0 EDADMP Cn1c2ccccc2[nH+]c1NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420237534 447682900 /nfs/dbraw/zinc/68/29/00/447682900.db2.gz FYXMYFJEWDFRKM-ZDUSSCGKSA-N 2 1 327.354 1.821 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H](CC[NH3+])C2)C[C@@H](C)O1 ZINC000416923930 447711531 /nfs/dbraw/zinc/71/15/31/447711531.db2.gz QKIIPFQMDFZAJQ-OAGGEKHMSA-N 2 1 340.512 1.645 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416946499 447720941 /nfs/dbraw/zinc/72/09/41/447720941.db2.gz OKXIARPQORILGJ-OWCLPIDISA-N 2 1 328.501 1.501 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422715161 447725714 /nfs/dbraw/zinc/72/57/14/447725714.db2.gz LYMWSYSXIYDZOK-CEXWTWQISA-N 2 1 345.487 1.434 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422715161 447725715 /nfs/dbraw/zinc/72/57/15/447725715.db2.gz LYMWSYSXIYDZOK-CEXWTWQISA-N 2 1 345.487 1.434 20 0 EDADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000422738879 447734362 /nfs/dbraw/zinc/73/43/62/447734362.db2.gz KGORIFYOAPJUSN-CGTJXYLNSA-N 2 1 332.492 1.122 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422930097 447775019 /nfs/dbraw/zinc/77/50/19/447775019.db2.gz SDLWSTIZNAYOMR-ZDUSSCGKSA-N 2 1 325.478 1.415 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000430553865 447777818 /nfs/dbraw/zinc/77/78/18/447777818.db2.gz PQWWPUKHCUAGPT-HOCLYGCPSA-N 2 1 349.475 1.721 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000430553865 447777821 /nfs/dbraw/zinc/77/78/21/447777821.db2.gz PQWWPUKHCUAGPT-HOCLYGCPSA-N 2 1 349.475 1.721 20 0 EDADMP [NH3+]CCCOC1CC[NH+](CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000430563082 447779630 /nfs/dbraw/zinc/77/96/30/447779630.db2.gz UIYNGWQRJMGYGZ-UHFFFAOYSA-N 2 1 345.487 1.664 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000430565283 447781078 /nfs/dbraw/zinc/78/10/78/447781078.db2.gz FEZSTFZUGGRZFR-HKUYNNGSSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000430565283 447781081 /nfs/dbraw/zinc/78/10/81/447781081.db2.gz FEZSTFZUGGRZFR-HKUYNNGSSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430565283 447781085 /nfs/dbraw/zinc/78/10/85/447781085.db2.gz FEZSTFZUGGRZFR-HKUYNNGSSA-N 2 1 344.503 1.390 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000431023651 447789938 /nfs/dbraw/zinc/78/99/38/447789938.db2.gz MOOKYMJBDCKUBJ-FGTMMUONSA-N 2 1 338.540 1.674 20 0 EDADMP Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423083495 447801404 /nfs/dbraw/zinc/80/14/04/447801404.db2.gz GLJITKCPVJILFL-YLFCFFPRSA-N 2 1 333.480 1.136 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)C2)cc1 ZINC000423086103 447802088 /nfs/dbraw/zinc/80/20/88/447802088.db2.gz MJSUSWYGDMLMJO-YZGWKJHDSA-N 2 1 329.488 1.865 20 0 EDADMP c1ccc(C[N@H+]2CC[C@H](CN[C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000423086103 447802091 /nfs/dbraw/zinc/80/20/91/447802091.db2.gz MJSUSWYGDMLMJO-YZGWKJHDSA-N 2 1 329.488 1.865 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000423086103 447802095 /nfs/dbraw/zinc/80/20/95/447802095.db2.gz MJSUSWYGDMLMJO-YZGWKJHDSA-N 2 1 329.488 1.865 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000575427355 447859041 /nfs/dbraw/zinc/85/90/41/447859041.db2.gz POOVVSDHWUHFHB-SJORKVTESA-N 2 1 326.868 1.944 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000575427355 447859044 /nfs/dbraw/zinc/85/90/44/447859044.db2.gz POOVVSDHWUHFHB-SJORKVTESA-N 2 1 326.868 1.944 20 0 EDADMP C[C@H](CNC(=O)NCCCCN1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000523004686 447868191 /nfs/dbraw/zinc/86/81/91/447868191.db2.gz QOTBBXGFZROMFI-QGZVFWFLSA-N 2 1 339.528 1.045 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CCCO1 ZINC000569771673 447884868 /nfs/dbraw/zinc/88/48/68/447884868.db2.gz WEUUGCRHMKWACJ-HNNXBMFYSA-N 2 1 347.438 1.997 20 0 EDADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569823135 447901034 /nfs/dbraw/zinc/90/10/34/447901034.db2.gz GHAICXAEUVLJMY-SFHVURJKSA-N 2 1 345.487 1.472 20 0 EDADMP CC(C)[C@@H]1CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@H+]1C ZINC000497159340 447906212 /nfs/dbraw/zinc/90/62/12/447906212.db2.gz JANAGPJQJODBFP-WMZOPIPTSA-N 2 1 336.480 1.133 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000497201271 447952574 /nfs/dbraw/zinc/95/25/74/447952574.db2.gz GOSMKWOLVQIADD-PMPSAXMXSA-N 2 1 341.496 1.630 20 0 EDADMP CN(C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000497201271 447952579 /nfs/dbraw/zinc/95/25/79/447952579.db2.gz GOSMKWOLVQIADD-PMPSAXMXSA-N 2 1 341.496 1.630 20 0 EDADMP CN(C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000497201271 447952583 /nfs/dbraw/zinc/95/25/83/447952583.db2.gz GOSMKWOLVQIADD-PMPSAXMXSA-N 2 1 341.496 1.630 20 0 EDADMP C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000570187728 447961093 /nfs/dbraw/zinc/96/10/93/447961093.db2.gz MKHKDFIMLTWKKD-QGTPRVQTSA-N 2 1 346.475 1.312 20 0 EDADMP C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000570187728 447961099 /nfs/dbraw/zinc/96/10/99/447961099.db2.gz MKHKDFIMLTWKKD-QGTPRVQTSA-N 2 1 346.475 1.312 20 0 EDADMP C[C@H]1C[NH+](C)CCN1Cc1cncc(CN2CC[N@H+](C)C[C@@H]2C)c1 ZINC000569917597 447915848 /nfs/dbraw/zinc/91/58/48/447915848.db2.gz KHYORXSKSGLUHJ-IRXDYDNUSA-N 2 1 331.508 1.353 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000497244475 448000006 /nfs/dbraw/zinc/00/00/06/448000006.db2.gz PJSMXSVOUZDTDE-DYVFJYSZSA-N 2 1 340.468 1.693 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)C[NH+]1CCC2CC1 ZINC000496885716 448001632 /nfs/dbraw/zinc/00/16/32/448001632.db2.gz RRSMAAZDOVKKPD-DODZYUBVSA-N 2 1 349.475 1.486 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NCCOc1cccc(F)c1)CC[NH2+]CC2 ZINC000576100071 447970804 /nfs/dbraw/zinc/97/08/04/447970804.db2.gz WMWHNRKXYIOUPT-OAHLLOKOSA-N 2 1 349.450 1.785 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCOC[C@H]3CCCO3)C2)CC1 ZINC000525173062 447972824 /nfs/dbraw/zinc/97/28/24/447972824.db2.gz YUWFSYJBFPRFLP-QZTJIDSGSA-N 2 1 325.497 1.282 20 0 EDADMP [NH3+][C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000576330946 448028219 /nfs/dbraw/zinc/02/82/19/448028219.db2.gz DIWZOAJDLSTLLB-DLBZAZTESA-N 2 1 332.448 1.020 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[NH+]2CCC1CC2 ZINC000526067462 448093032 /nfs/dbraw/zinc/09/30/32/448093032.db2.gz MSUCOAOAFRGPDW-QGZVFWFLSA-N 2 1 328.460 1.600 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000511918861 448154488 /nfs/dbraw/zinc/15/44/88/448154488.db2.gz IJGDBVCFIGGKSI-ZACQAIPSSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000511918861 448154492 /nfs/dbraw/zinc/15/44/92/448154492.db2.gz IJGDBVCFIGGKSI-ZACQAIPSSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000512433348 448156483 /nfs/dbraw/zinc/15/64/83/448156483.db2.gz YQJUQYOSMCELBM-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000512433348 448156489 /nfs/dbraw/zinc/15/64/89/448156489.db2.gz YQJUQYOSMCELBM-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP CC[C@H]1CN(C[C@H](O)C[NH+](C)CCOC)CC[N@H+]1Cc1ccccc1 ZINC000571460374 448157414 /nfs/dbraw/zinc/15/74/14/448157414.db2.gz RFZFCSXUHGDCKK-VQTJNVASSA-N 2 1 349.519 1.522 20 0 EDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000526970510 448127321 /nfs/dbraw/zinc/12/73/21/448127321.db2.gz BCBLPPPSTGJVSU-INIZCTEOSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@]1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000577636104 448348675 /nfs/dbraw/zinc/34/86/75/448348675.db2.gz IJPRRLOTJOTLAT-SFHVURJKSA-N 2 1 330.476 1.238 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000572362571 448357445 /nfs/dbraw/zinc/35/74/45/448357445.db2.gz RMSDVEZCCDYPBK-QRQLOZEOSA-N 2 1 344.503 1.609 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)n1C ZINC000527807582 448365292 /nfs/dbraw/zinc/36/52/92/448365292.db2.gz LPZFGRAMPQXWBZ-AWEZNQCLSA-N 2 1 334.468 1.302 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)n1C ZINC000527807582 448365298 /nfs/dbraw/zinc/36/52/98/448365298.db2.gz LPZFGRAMPQXWBZ-AWEZNQCLSA-N 2 1 334.468 1.302 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@H](O)C3(C)C)CC2)CC1 ZINC000577744036 448375535 /nfs/dbraw/zinc/37/55/35/448375535.db2.gz CICUUQHVQDVAON-SJORKVTESA-N 2 1 337.508 1.458 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000572612002 448423360 /nfs/dbraw/zinc/42/33/60/448423360.db2.gz FYVIKZDSAOEBCV-INIZCTEOSA-N 2 1 332.492 1.191 20 0 EDADMP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000578011019 448440025 /nfs/dbraw/zinc/44/00/25/448440025.db2.gz MKOYOQYSCFKSOI-BRSBDYLESA-N 2 1 337.508 1.772 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000516653808 448457848 /nfs/dbraw/zinc/45/78/48/448457848.db2.gz WPFREIDWHHXPFZ-VQIMIIECSA-N 2 1 344.503 1.438 20 0 EDADMP NC(=O)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000591759458 448483400 /nfs/dbraw/zinc/48/34/00/448483400.db2.gz RFRCYZRKNCKKDG-IXDOHACOSA-N 2 1 344.459 1.462 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCC[N@@H+]2CCCC2(C)C)CC1 ZINC000517014445 448522900 /nfs/dbraw/zinc/52/29/00/448522900.db2.gz XNBCWPLCCGEMRY-UHFFFAOYSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCC[N@H+]2CCCC2(C)C)CC1 ZINC000517014445 448522907 /nfs/dbraw/zinc/52/29/07/448522907.db2.gz XNBCWPLCCGEMRY-UHFFFAOYSA-N 2 1 347.507 1.623 20 0 EDADMP O[C@@]1(C(F)F)CC[NH+](CCCC[N@@H+]2CC[C@@](O)(C(F)F)C2)C1 ZINC000578485261 448556495 /nfs/dbraw/zinc/55/64/95/448556495.db2.gz MUWRUFLDLLTZTA-KBPBESRZSA-N 2 1 328.350 1.170 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccnc2)CC12CCOCC2 ZINC000573206945 448568487 /nfs/dbraw/zinc/56/84/87/448568487.db2.gz VYRBOKXKLBNCQL-MRXNPFEDSA-N 2 1 327.432 1.659 20 0 EDADMP C[C@H](Cn1cc(Br)ccc1=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000517326935 448572125 /nfs/dbraw/zinc/57/21/25/448572125.db2.gz YHTZXWURJUJUHE-CHWSQXEVSA-N 2 1 342.281 1.931 20 0 EDADMP C[C@H](Cn1cc(Br)ccc1=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000517326935 448572131 /nfs/dbraw/zinc/57/21/31/448572131.db2.gz YHTZXWURJUJUHE-CHWSQXEVSA-N 2 1 342.281 1.931 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000578532997 448574040 /nfs/dbraw/zinc/57/40/40/448574040.db2.gz OEVKRNZNYZEZMN-XGUBFFRZSA-N 2 1 340.512 1.101 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000584467639 448537960 /nfs/dbraw/zinc/53/79/60/448537960.db2.gz XWRQTIVQTDNVJH-HOTGVXAUSA-N 2 1 348.495 1.354 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000566687709 448540105 /nfs/dbraw/zinc/54/01/05/448540105.db2.gz OZAJVDDPHFXUEW-MRXNPFEDSA-N 2 1 328.460 1.669 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)CC2 ZINC000573125733 448552203 /nfs/dbraw/zinc/55/22/03/448552203.db2.gz SNTYOPKOFARNEQ-WBVHZDCISA-N 2 1 334.464 1.107 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)CC2 ZINC000573125733 448552208 /nfs/dbraw/zinc/55/22/08/448552208.db2.gz SNTYOPKOFARNEQ-WBVHZDCISA-N 2 1 334.464 1.107 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000573125731 448552467 /nfs/dbraw/zinc/55/24/67/448552467.db2.gz SNTYOPKOFARNEQ-NVXWUHKLSA-N 2 1 334.464 1.107 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)CC2 ZINC000573125731 448552472 /nfs/dbraw/zinc/55/24/72/448552472.db2.gz SNTYOPKOFARNEQ-NVXWUHKLSA-N 2 1 334.464 1.107 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC[C@@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578740382 448623484 /nfs/dbraw/zinc/62/34/84/448623484.db2.gz FGQHQOJGTGXYSW-FCGDIQPGSA-N 2 1 341.540 1.557 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H]1CNC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578740382 448623491 /nfs/dbraw/zinc/62/34/91/448623491.db2.gz FGQHQOJGTGXYSW-FCGDIQPGSA-N 2 1 341.540 1.557 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H]1CNC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578740382 448623498 /nfs/dbraw/zinc/62/34/98/448623498.db2.gz FGQHQOJGTGXYSW-FCGDIQPGSA-N 2 1 341.540 1.557 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000573316978 448595787 /nfs/dbraw/zinc/59/57/87/448595787.db2.gz SJPNCRNJBYRPSA-XWSJACJDSA-N 3 1 341.540 1.558 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000518123241 448647225 /nfs/dbraw/zinc/64/72/25/448647225.db2.gz DYEOBVZSGVDKOC-ROUUACIJSA-N 2 1 330.476 1.752 20 0 EDADMP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000518123241 448647232 /nfs/dbraw/zinc/64/72/32/448647232.db2.gz DYEOBVZSGVDKOC-ROUUACIJSA-N 2 1 330.476 1.752 20 0 EDADMP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000518123241 448647239 /nfs/dbraw/zinc/64/72/39/448647239.db2.gz DYEOBVZSGVDKOC-ROUUACIJSA-N 2 1 330.476 1.752 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000578761784 448629826 /nfs/dbraw/zinc/62/98/26/448629826.db2.gz QIDYZIREIFPWGI-ZIAGYGMSSA-N 2 1 341.477 1.127 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000578761784 448629834 /nfs/dbraw/zinc/62/98/34/448629834.db2.gz QIDYZIREIFPWGI-ZIAGYGMSSA-N 2 1 341.477 1.127 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000573463699 448634908 /nfs/dbraw/zinc/63/49/08/448634908.db2.gz SGZYHAYPDVMSLY-WMZOPIPTSA-N 2 1 338.496 1.128 20 0 EDADMP C[C@H]([NH2+][C@H]1COCC1(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567456205 448698322 /nfs/dbraw/zinc/69/83/22/448698322.db2.gz ZSAQFZONYNFRCD-SZMVWBNQSA-N 2 1 345.487 1.780 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@H]([NH3+])C2CCC2)[C@H](c2ccccc2)C1 ZINC000567776628 448758372 /nfs/dbraw/zinc/75/83/72/448758372.db2.gz JNAVJDNSPZXNIG-RBUKOAKNSA-N 2 1 344.503 1.609 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@H]([NH3+])C2CCC2)[C@H](c2ccccc2)C1 ZINC000567776628 448758378 /nfs/dbraw/zinc/75/83/78/448758378.db2.gz JNAVJDNSPZXNIG-RBUKOAKNSA-N 2 1 344.503 1.609 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@H]([NH3+])C2CCC2)[C@H](c2ccccc2)C1 ZINC000567776628 448758384 /nfs/dbraw/zinc/75/83/84/448758384.db2.gz JNAVJDNSPZXNIG-RBUKOAKNSA-N 2 1 344.503 1.609 20 0 EDADMP C[NH2+][C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1cnn(C)c1 ZINC000573962812 448759415 /nfs/dbraw/zinc/75/94/15/448759415.db2.gz PCLZQQYGZSZEJK-JKSUJKDBSA-N 2 1 349.866 1.753 20 0 EDADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000573971287 448760403 /nfs/dbraw/zinc/76/04/03/448760403.db2.gz RZVAOCURWWDBIH-XYPHTWIQSA-N 2 1 329.448 1.363 20 0 EDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000573971287 448760408 /nfs/dbraw/zinc/76/04/08/448760408.db2.gz RZVAOCURWWDBIH-XYPHTWIQSA-N 2 1 329.448 1.363 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000545884397 448805162 /nfs/dbraw/zinc/80/51/62/448805162.db2.gz NILGCJWLICOSMP-IBGZPJMESA-N 2 1 346.475 1.148 20 0 EDADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000574191131 448812830 /nfs/dbraw/zinc/81/28/30/448812830.db2.gz LFOGALHICJWUOX-XAUUPUKJSA-N 2 1 328.460 1.312 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)NC[C@@H]1CCC[NH2+]1 ZINC000574023693 448771490 /nfs/dbraw/zinc/77/14/90/448771490.db2.gz KDXKABBOZAOIOD-KRWDZBQOSA-N 2 1 332.448 1.070 20 0 EDADMP CC[NH+]1CCC(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000587018628 448833657 /nfs/dbraw/zinc/83/36/57/448833657.db2.gz DRARHXBQLVNKPC-KRWDZBQOSA-N 2 1 338.496 1.225 20 0 EDADMP [NH3+][C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000568254296 448846542 /nfs/dbraw/zinc/84/65/42/448846542.db2.gz ZMHSDPUIBCTARN-RCCFBDPRSA-N 2 1 328.460 1.640 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529381837 448850803 /nfs/dbraw/zinc/85/08/03/448850803.db2.gz ROEFOTJEOBXTAO-IKGGRYGDSA-N 2 1 338.496 1.271 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[NH2+]CC3)c2)C1 ZINC000579687243 448851455 /nfs/dbraw/zinc/85/14/55/448851455.db2.gz KDEXQMYTYSHHCR-RTBURBONSA-N 2 1 344.503 1.616 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCC[NH2+]CC3)c2)C1 ZINC000579687243 448851462 /nfs/dbraw/zinc/85/14/62/448851462.db2.gz KDEXQMYTYSHHCR-RTBURBONSA-N 2 1 344.503 1.616 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCC[NH2+]CC3)c2)C1 ZINC000579687243 448851468 /nfs/dbraw/zinc/85/14/68/448851468.db2.gz KDEXQMYTYSHHCR-RTBURBONSA-N 2 1 344.503 1.616 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000579732593 448868434 /nfs/dbraw/zinc/86/84/34/448868434.db2.gz WXTUKRBRNURHID-MRXNPFEDSA-N 2 1 343.475 1.695 20 0 EDADMP Cn1cc([C@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000520327142 448883883 /nfs/dbraw/zinc/88/38/83/448883883.db2.gz YJNSTYFVDXWNTJ-MRXNPFEDSA-N 2 1 333.480 1.010 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000520327142 448883887 /nfs/dbraw/zinc/88/38/87/448883887.db2.gz YJNSTYFVDXWNTJ-MRXNPFEDSA-N 2 1 333.480 1.010 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CC1([NH3+])CCC1 ZINC000592558640 448900162 /nfs/dbraw/zinc/90/01/62/448900162.db2.gz LHOLIVVTSFXLQJ-HNNXBMFYSA-N 2 1 339.480 1.524 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)CC2(C[NH3+])CC2)c2cccs2)CC1 ZINC000574688904 448932919 /nfs/dbraw/zinc/93/29/19/448932919.db2.gz WWKLIULCJNOEII-CQSZACIVSA-N 2 1 336.505 1.282 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000579849513 448895415 /nfs/dbraw/zinc/89/54/15/448895415.db2.gz ZMELOQRTDLNKHO-DAWZGUTISA-N 2 1 327.513 1.122 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589144035 448977276 /nfs/dbraw/zinc/97/72/76/448977276.db2.gz AGMKHGDMUPYMAX-MOPGFXCFSA-N 2 1 342.487 1.990 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000521432992 448985247 /nfs/dbraw/zinc/98/52/47/448985247.db2.gz QYVYFMOCRCKVNR-HNNXBMFYSA-N 2 1 346.475 1.540 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3ncc[nH]3)CC2)CC1 ZINC000575001127 449012108 /nfs/dbraw/zinc/01/21/08/449012108.db2.gz XXYMLFXTGNTZBB-UHFFFAOYSA-N 2 1 333.480 1.564 20 0 EDADMP [NH3+]CCCCn1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nn1 ZINC000521999064 449038879 /nfs/dbraw/zinc/03/88/79/449038879.db2.gz IAGPXENRMSYQCO-PBHICJAKSA-N 2 1 346.479 1.106 20 0 EDADMP O=C(NCCCN1CCOCC1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522185715 449061697 /nfs/dbraw/zinc/06/16/97/449061697.db2.gz JXYLQXBIEZUHQF-SFHVURJKSA-N 2 1 346.475 1.132 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522185715 449061708 /nfs/dbraw/zinc/06/17/08/449061708.db2.gz JXYLQXBIEZUHQF-SFHVURJKSA-N 2 1 346.475 1.132 20 0 EDADMP C[C@@]1(c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)NC(=O)NC1=O ZINC000575227823 449065126 /nfs/dbraw/zinc/06/51/26/449065126.db2.gz HEBNXDTZKKSWPS-IBGZPJMESA-N 2 1 342.443 1.458 20 0 EDADMP CC(C)[NH+]1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000522255866 449067556 /nfs/dbraw/zinc/06/75/56/449067556.db2.gz AXCSHEHPOAKQJS-LJQANCHMSA-N 2 1 331.460 1.176 20 0 EDADMP CC(C)[NH+]1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000522255866 449067562 /nfs/dbraw/zinc/06/75/62/449067562.db2.gz AXCSHEHPOAKQJS-LJQANCHMSA-N 2 1 331.460 1.176 20 0 EDADMP Cc1cnccc1C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000530224921 449086465 /nfs/dbraw/zinc/08/64/65/449086465.db2.gz NFZTZPNKRLYWPV-SJORKVTESA-N 2 1 329.448 1.110 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(CO)ccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000530225111 449087490 /nfs/dbraw/zinc/08/74/90/449087490.db2.gz WOLJUYXPXFALBQ-YJBOKZPZSA-N 2 1 349.450 1.398 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)C1CC1 ZINC000575378743 449087511 /nfs/dbraw/zinc/08/75/11/449087511.db2.gz GKUPRROMFZYJMB-NVXWUHKLSA-N 2 1 332.448 1.338 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)C1CC1 ZINC000575378743 449087515 /nfs/dbraw/zinc/08/75/15/449087515.db2.gz GKUPRROMFZYJMB-NVXWUHKLSA-N 2 1 332.448 1.338 20 0 EDADMP C[C@@H](C(=O)N1CCC[NH+](C[C@H]2CCCO2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000590496075 449176008 /nfs/dbraw/zinc/17/60/08/449176008.db2.gz GYLSWURZOXGMSQ-XWTMOSNGSA-N 2 1 337.508 1.961 20 0 EDADMP C[C@@H](C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000590496075 449176010 /nfs/dbraw/zinc/17/60/10/449176010.db2.gz GYLSWURZOXGMSQ-XWTMOSNGSA-N 2 1 337.508 1.961 20 0 EDADMP C[C@@H](C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000590496075 449176012 /nfs/dbraw/zinc/17/60/12/449176012.db2.gz GYLSWURZOXGMSQ-XWTMOSNGSA-N 2 1 337.508 1.961 20 0 EDADMP COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000595803829 449177124 /nfs/dbraw/zinc/17/71/24/449177124.db2.gz AUXTURFSRDJJJN-GOSISDBHSA-N 2 1 341.496 1.057 20 0 EDADMP COC[C@@]1(C(=O)OC)CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000595803829 449177130 /nfs/dbraw/zinc/17/71/30/449177130.db2.gz AUXTURFSRDJJJN-GOSISDBHSA-N 2 1 341.496 1.057 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000601955122 449243147 /nfs/dbraw/zinc/24/31/47/449243147.db2.gz SLNLFAXIUGORJO-ICSRJNTNSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000601955122 449243152 /nfs/dbraw/zinc/24/31/52/449243152.db2.gz SLNLFAXIUGORJO-ICSRJNTNSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000601955122 449243159 /nfs/dbraw/zinc/24/31/59/449243159.db2.gz SLNLFAXIUGORJO-ICSRJNTNSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000601955122 449243164 /nfs/dbraw/zinc/24/31/64/449243164.db2.gz SLNLFAXIUGORJO-ICSRJNTNSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)c1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000600967290 449621393 /nfs/dbraw/zinc/62/13/93/449621393.db2.gz QEBSKYXXLZPHNL-UHFFFAOYSA-N 2 1 329.404 1.020 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCn1cc(Cl)cn1 ZINC000617504865 449650500 /nfs/dbraw/zinc/65/05/00/449650500.db2.gz NGTIFYGEZWRNOX-ZDUSSCGKSA-N 2 1 329.876 1.315 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCn1cc(Cl)cn1 ZINC000617504865 449650502 /nfs/dbraw/zinc/65/05/02/449650502.db2.gz NGTIFYGEZWRNOX-ZDUSSCGKSA-N 2 1 329.876 1.315 20 0 EDADMP C[NH+](C)[C@H](CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)c1ccccc1 ZINC000614503909 449651866 /nfs/dbraw/zinc/65/18/66/449651866.db2.gz SUGNFMSTQARWHP-ZWKOTPCHSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000617505499 449652216 /nfs/dbraw/zinc/65/22/16/449652216.db2.gz FIRIJMONLXSNKT-IXDOHACOSA-N 2 1 327.513 1.970 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000617505499 449652220 /nfs/dbraw/zinc/65/22/20/449652220.db2.gz FIRIJMONLXSNKT-IXDOHACOSA-N 2 1 327.513 1.970 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC000617502185 449644697 /nfs/dbraw/zinc/64/46/97/449644697.db2.gz GHZMDLSDDJRTAA-GJZGRUSLSA-N 2 1 335.496 1.782 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC000617502185 449644701 /nfs/dbraw/zinc/64/47/01/449644701.db2.gz GHZMDLSDDJRTAA-GJZGRUSLSA-N 2 1 335.496 1.782 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000601000569 449645670 /nfs/dbraw/zinc/64/56/70/449645670.db2.gz DMSWCMGGEJLSLR-LJQANCHMSA-N 2 1 345.487 1.744 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000617503594 449646573 /nfs/dbraw/zinc/64/65/73/449646573.db2.gz PVVLQHWESGZVRS-ZDUSSCGKSA-N 2 1 348.447 1.019 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000617503594 449646581 /nfs/dbraw/zinc/64/65/81/449646581.db2.gz PVVLQHWESGZVRS-ZDUSSCGKSA-N 2 1 348.447 1.019 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)COc1ccc(F)cc1 ZINC000617503796 449647512 /nfs/dbraw/zinc/64/75/12/449647512.db2.gz ZQTQARBPQITOMP-AWEZNQCLSA-N 2 1 325.428 1.593 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)COc1ccc(F)cc1 ZINC000617503796 449647515 /nfs/dbraw/zinc/64/75/15/449647515.db2.gz ZQTQARBPQITOMP-AWEZNQCLSA-N 2 1 325.428 1.593 20 0 EDADMP CSCC[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(=O)N(C)C ZINC000602665178 449739674 /nfs/dbraw/zinc/73/96/74/449739674.db2.gz SKRIKSRXWOQVDZ-AWEZNQCLSA-N 2 1 331.526 1.021 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000601218978 449756120 /nfs/dbraw/zinc/75/61/20/449756120.db2.gz MRONGWZMUZHWTL-IRXDYDNUSA-N 2 1 340.512 1.515 20 0 EDADMP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000597186386 449861929 /nfs/dbraw/zinc/86/19/29/449861929.db2.gz JLTAOQHPFNNTHO-LEUOFYLZSA-N 2 1 332.444 1.817 20 0 EDADMP COC(=O)COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000597225399 449882232 /nfs/dbraw/zinc/88/22/32/449882232.db2.gz AZSNUPBJWHSNEX-QGZVFWFLSA-N 2 1 348.443 1.581 20 0 EDADMP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845343 449851778 /nfs/dbraw/zinc/85/17/78/449851778.db2.gz HSQLHUYVCMAKIX-UHFFFAOYSA-N 2 1 333.436 1.218 20 0 EDADMP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845343 449851783 /nfs/dbraw/zinc/85/17/83/449851783.db2.gz HSQLHUYVCMAKIX-UHFFFAOYSA-N 2 1 333.436 1.218 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC([N@H+]3CCOC[C@H]3C)CC1)CC2 ZINC000615085983 449946201 /nfs/dbraw/zinc/94/62/01/449946201.db2.gz IPEMKJLWOASBOF-ZBFHGGJFSA-N 2 1 346.475 1.466 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC([N@@H+]3CCOC[C@H]3C)CC1)CC2 ZINC000615085983 449946204 /nfs/dbraw/zinc/94/62/04/449946204.db2.gz IPEMKJLWOASBOF-ZBFHGGJFSA-N 2 1 346.475 1.466 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@]2(C)CC[NH2+]C2)cc1F ZINC000612870589 449918718 /nfs/dbraw/zinc/91/87/18/449918718.db2.gz FLIPTRBIMOPKCS-QGZVFWFLSA-N 2 1 331.395 1.871 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)[N@H+]1CCc2ccccc2C1 ZINC000612967320 449961627 /nfs/dbraw/zinc/96/16/27/449961627.db2.gz ZVRUPVUHFCWBBH-CRAIPNDOSA-N 2 1 342.487 1.875 20 0 EDADMP CCCc1cc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000601472485 449995108 /nfs/dbraw/zinc/99/51/08/449995108.db2.gz LTJDAFXTAGEHTR-MRXNPFEDSA-N 2 1 333.480 1.603 20 0 EDADMP CCCc1cc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000601472484 449995744 /nfs/dbraw/zinc/99/57/44/449995744.db2.gz LTJDAFXTAGEHTR-INIZCTEOSA-N 2 1 333.480 1.603 20 0 EDADMP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613210443 450082760 /nfs/dbraw/zinc/08/27/60/450082760.db2.gz QKBAVIWWNJMGBW-WZRBSPASSA-N 2 1 331.243 1.884 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000595404194 450117560 /nfs/dbraw/zinc/11/75/60/450117560.db2.gz MKVNKZGXQZRTBM-ZWKOTPCHSA-N 2 1 342.487 1.894 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000595404194 450117564 /nfs/dbraw/zinc/11/75/64/450117564.db2.gz MKVNKZGXQZRTBM-ZWKOTPCHSA-N 2 1 342.487 1.894 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000595404194 450117568 /nfs/dbraw/zinc/11/75/68/450117568.db2.gz MKVNKZGXQZRTBM-ZWKOTPCHSA-N 2 1 342.487 1.894 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1 ZINC000595548886 450224905 /nfs/dbraw/zinc/22/49/05/450224905.db2.gz AVORQNREIHDLNQ-CQSZACIVSA-N 2 1 330.469 1.170 20 0 EDADMP C[C@H]([C@H](C)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N1CCOCC1 ZINC000625294253 450278649 /nfs/dbraw/zinc/27/86/49/450278649.db2.gz XIZBPRSIJHIVJA-OGWHTMIXSA-N 2 1 345.487 1.557 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCCC[NH+](C)C2)C[C@H](C)O1 ZINC000623404197 450515933 /nfs/dbraw/zinc/51/59/33/450515933.db2.gz UHYTYAXFTAETGV-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCCC[N@H+](C)C2)C[C@H](C)O1 ZINC000623404197 450515936 /nfs/dbraw/zinc/51/59/36/450515936.db2.gz UHYTYAXFTAETGV-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000623404197 450515939 /nfs/dbraw/zinc/51/59/39/450515939.db2.gz UHYTYAXFTAETGV-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623360126 450505029 /nfs/dbraw/zinc/50/50/29/450505029.db2.gz WMGMWHZEZLGKCU-HNNXBMFYSA-N 2 1 339.505 1.899 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623360126 450505031 /nfs/dbraw/zinc/50/50/31/450505031.db2.gz WMGMWHZEZLGKCU-HNNXBMFYSA-N 2 1 339.505 1.899 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1(C)C ZINC000623395275 450513394 /nfs/dbraw/zinc/51/33/94/450513394.db2.gz FJAQFCOXVAZESE-BEFAXECRSA-N 2 1 344.459 1.704 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623717313 450571703 /nfs/dbraw/zinc/57/17/03/450571703.db2.gz UGNSHSDNROSTJV-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CCO1 ZINC000620966737 450566836 /nfs/dbraw/zinc/56/68/36/450566836.db2.gz MHZJGTGWFLMBHL-KRWDZBQOSA-N 2 1 341.496 1.058 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[NH2+]1 ZINC000621156965 450605850 /nfs/dbraw/zinc/60/58/50/450605850.db2.gz LVKBGCNCQHEIJS-RTBURBONSA-N 2 1 345.487 1.641 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000626206822 450624932 /nfs/dbraw/zinc/62/49/32/450624932.db2.gz YJDMAGKQCITRFN-OWLYRPNTSA-N 2 1 331.460 1.167 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000626206822 450624935 /nfs/dbraw/zinc/62/49/35/450624935.db2.gz YJDMAGKQCITRFN-OWLYRPNTSA-N 2 1 331.460 1.167 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000626206822 450624939 /nfs/dbraw/zinc/62/49/39/450624939.db2.gz YJDMAGKQCITRFN-OWLYRPNTSA-N 2 1 331.460 1.167 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000626206822 450624943 /nfs/dbraw/zinc/62/49/43/450624943.db2.gz YJDMAGKQCITRFN-OWLYRPNTSA-N 2 1 331.460 1.167 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCC[NH+]1C ZINC000623890789 450626260 /nfs/dbraw/zinc/62/62/60/450626260.db2.gz WTAHZMRIPROUPK-JQHSSLGASA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000623890789 450626263 /nfs/dbraw/zinc/62/62/63/450626263.db2.gz WTAHZMRIPROUPK-JQHSSLGASA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000623890789 450626267 /nfs/dbraw/zinc/62/62/67/450626267.db2.gz WTAHZMRIPROUPK-JQHSSLGASA-N 2 1 330.476 1.900 20 0 EDADMP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000629416595 450662595 /nfs/dbraw/zinc/66/25/95/450662595.db2.gz QWMLRWACEFDKTJ-KRWDZBQOSA-N 2 1 335.492 1.717 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631579261 450664250 /nfs/dbraw/zinc/66/42/50/450664250.db2.gz FQVRJOURIDIGGC-SFHVURJKSA-N 2 1 330.476 1.991 20 0 EDADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624119639 450715534 /nfs/dbraw/zinc/71/55/34/450715534.db2.gz GORUWCUIMPRDDP-HUUCEWRRSA-N 2 1 339.505 1.977 20 0 EDADMP COc1ncc(Br)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000629524161 450724646 /nfs/dbraw/zinc/72/46/46/450724646.db2.gz MPGCHOQGGGQPJF-ZWKOPEQDSA-N 2 1 344.253 1.695 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000629569090 450740504 /nfs/dbraw/zinc/74/05/04/450740504.db2.gz OAEVYLXZPWACRA-CYBMUJFWSA-N 2 1 327.856 1.513 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000629570028 450741342 /nfs/dbraw/zinc/74/13/42/450741342.db2.gz SQIUFRJZMUJCJS-LSDHHAIUSA-N 2 1 339.505 1.968 20 0 EDADMP C[C@@H](c1ccncc1)N1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629571513 450742415 /nfs/dbraw/zinc/74/24/15/450742415.db2.gz VNSZRSYIDUEGNE-LPHOPBHVSA-N 2 1 332.492 1.653 20 0 EDADMP Cc1cc(NC(=O)C[N@H+](C)CCOCC[NH3+])n(-c2ccccc2F)n1 ZINC000629579366 450747545 /nfs/dbraw/zinc/74/75/45/450747545.db2.gz SYPZVHWPGILYAT-UHFFFAOYSA-N 2 1 349.410 1.165 20 0 EDADMP Cc1cc(NC(=O)C[N@@H+](C)CCOCC[NH3+])n(-c2ccccc2F)n1 ZINC000629579366 450747550 /nfs/dbraw/zinc/74/75/50/450747550.db2.gz SYPZVHWPGILYAT-UHFFFAOYSA-N 2 1 349.410 1.165 20 0 EDADMP C[C@@H]1C[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000631843299 450812812 /nfs/dbraw/zinc/81/28/12/450812812.db2.gz LZPYXFAANIYXJU-CHWSQXEVSA-N 2 1 325.840 1.362 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000631843299 450812815 /nfs/dbraw/zinc/81/28/15/450812815.db2.gz LZPYXFAANIYXJU-CHWSQXEVSA-N 2 1 325.840 1.362 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000631852876 450825544 /nfs/dbraw/zinc/82/55/44/450825544.db2.gz IDLXEVNJHZHPPC-KDURUIRLSA-N 2 1 342.487 1.075 20 0 EDADMP C[N@@H+]1C[C@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)[C@@H](c2ccccc2)C1 ZINC000626670282 450842478 /nfs/dbraw/zinc/84/24/78/450842478.db2.gz UZZDJDFDXHYLHR-SJORKVTESA-N 2 1 339.443 1.404 20 0 EDADMP C[N@H+]1C[C@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)[C@@H](c2ccccc2)C1 ZINC000626670282 450842484 /nfs/dbraw/zinc/84/24/84/450842484.db2.gz UZZDJDFDXHYLHR-SJORKVTESA-N 2 1 339.443 1.404 20 0 EDADMP O=C(CC[NH+]1CCC([NH2+]CCO)CC1)Nc1ccccc1Cl ZINC000631863841 450832986 /nfs/dbraw/zinc/83/29/86/450832986.db2.gz GNDDRHAJRFFUOM-UHFFFAOYSA-N 2 1 325.840 1.715 20 0 EDADMP O=C(CC[NH+]1CCC([NH2+]CCO)CC1)Nc1ccc(Cl)cc1 ZINC000631864833 450834256 /nfs/dbraw/zinc/83/42/56/450834256.db2.gz YJRXWGMVMNVHFE-UHFFFAOYSA-N 2 1 325.840 1.715 20 0 EDADMP C[NH+](C)CCNc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000629732785 450794321 /nfs/dbraw/zinc/79/43/21/450794321.db2.gz GFXDCALOVJYMOU-UHFFFAOYSA-N 2 1 340.471 2.554 20 0 EDADMP Cn1c2cc(C[N@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)ccc2oc1=O ZINC000631828105 450800639 /nfs/dbraw/zinc/80/06/39/450800639.db2.gz FGNWTUJOEXPBSL-AWEZNQCLSA-N 2 1 342.403 1.019 20 0 EDADMP [NH3+][C@@H]1CCCCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000631834529 450804438 /nfs/dbraw/zinc/80/44/38/450804438.db2.gz ZDYCQRMOFATTTR-QGZVFWFLSA-N 2 1 345.491 1.324 20 0 EDADMP [NH3+][C@@H]1CCCCC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000631834529 450804442 /nfs/dbraw/zinc/80/44/42/450804442.db2.gz ZDYCQRMOFATTTR-QGZVFWFLSA-N 2 1 345.491 1.324 20 0 EDADMP O=C(CC[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1)N1CC[NH2+]CC1 ZINC000631835211 450804855 /nfs/dbraw/zinc/80/48/55/450804855.db2.gz OXJCNVWMFCNKSX-UHFFFAOYSA-N 2 1 341.377 1.885 20 0 EDADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000635445196 450947742 /nfs/dbraw/zinc/94/77/42/450947742.db2.gz CILKTZCHENUHRH-ZWKOTPCHSA-N 2 1 335.492 1.620 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C[NH2+]1 ZINC000626928179 451011676 /nfs/dbraw/zinc/01/16/76/451011676.db2.gz NUBRELGKWPMNJZ-TUVASFSCSA-N 2 1 326.485 1.314 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000632068289 451014205 /nfs/dbraw/zinc/01/42/05/451014205.db2.gz HXZCCPQQUWPDFK-UHFFFAOYSA-N 2 1 331.457 1.129 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000632068289 451014211 /nfs/dbraw/zinc/01/42/11/451014211.db2.gz HXZCCPQQUWPDFK-UHFFFAOYSA-N 2 1 331.457 1.129 20 0 EDADMP CN(CCOCC[NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000626939550 451020128 /nfs/dbraw/zinc/02/01/28/451020128.db2.gz IPSXYMHNCGTDBZ-KRWDZBQOSA-N 2 1 334.464 1.268 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000626953548 451031090 /nfs/dbraw/zinc/03/10/90/451031090.db2.gz VKQGXWROJARYOG-JCGIZDLHSA-N 2 1 330.476 1.873 20 0 EDADMP C[NH2+]CCOCCNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000626954673 451032654 /nfs/dbraw/zinc/03/26/54/451032654.db2.gz IOQSWMDKDIWQDS-SFHVURJKSA-N 2 1 348.491 1.576 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000627005915 451070116 /nfs/dbraw/zinc/07/01/16/451070116.db2.gz NXGBGKPZIFUOPR-DLBZAZTESA-N 2 1 334.464 1.309 20 0 EDADMP [NH3+]C1(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627023012 451086909 /nfs/dbraw/zinc/08/69/09/451086909.db2.gz HZSDAMFBBDVLOQ-KRWDZBQOSA-N 2 1 346.475 1.316 20 0 EDADMP C[C@H]1[C@H](NC(=O)N(C)CCOCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000627039278 451096876 /nfs/dbraw/zinc/09/68/76/451096876.db2.gz ULKJRWMCZGZFJP-DOTOQJQBSA-N 2 1 334.464 1.266 20 0 EDADMP C[N@H+](CCc1ccccc1)CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000635643438 451130845 /nfs/dbraw/zinc/13/08/45/451130845.db2.gz CPKLIAKELVOGIU-UHFFFAOYSA-N 2 1 345.487 1.484 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000635643438 451130850 /nfs/dbraw/zinc/13/08/50/451130850.db2.gz CPKLIAKELVOGIU-UHFFFAOYSA-N 2 1 345.487 1.484 20 0 EDADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000627114838 451131310 /nfs/dbraw/zinc/13/13/10/451131310.db2.gz LHFXSRBMMQQWCU-SZMVWBNQSA-N 2 1 346.475 1.534 20 0 EDADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000635710311 451188962 /nfs/dbraw/zinc/18/89/62/451188962.db2.gz UWZRIPDIKREHDU-QZTJIDSGSA-N 2 1 345.487 1.327 20 0 EDADMP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000635716495 451194929 /nfs/dbraw/zinc/19/49/29/451194929.db2.gz SOPXXBVDJPYPPX-SFHVURJKSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634260797 451254815 /nfs/dbraw/zinc/25/48/15/451254815.db2.gz WDURHUVFEMPENL-DLBZAZTESA-N 3 1 339.528 1.186 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[N@@H+]1C ZINC000630578962 451258716 /nfs/dbraw/zinc/25/87/16/451258716.db2.gz WNQHVRGKOCKADW-RBUKOAKNSA-N 2 1 345.487 1.865 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[N@H+]1C ZINC000630578962 451258722 /nfs/dbraw/zinc/25/87/22/451258722.db2.gz WNQHVRGKOCKADW-RBUKOAKNSA-N 2 1 345.487 1.865 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638096963 451261219 /nfs/dbraw/zinc/26/12/19/451261219.db2.gz OQGDTXOSHUCDCO-GHMZBOCLSA-N 2 1 344.410 1.210 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(-n3ccnc3)ccc2O)[C@@H](C)C1 ZINC000635818698 451266115 /nfs/dbraw/zinc/26/61/15/451266115.db2.gz KKOQFMNDTAYVIS-UONOGXRCSA-N 2 1 344.415 1.105 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000638113416 451281723 /nfs/dbraw/zinc/28/17/23/451281723.db2.gz CZBBVBNNGOKVEQ-RNONSGAXSA-N 2 1 338.496 1.540 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000638113416 451281727 /nfs/dbraw/zinc/28/17/27/451281727.db2.gz CZBBVBNNGOKVEQ-RNONSGAXSA-N 2 1 338.496 1.540 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638131697 451304302 /nfs/dbraw/zinc/30/43/02/451304302.db2.gz AKPAKLWTXUUIFY-JLSDUUJJSA-N 2 1 330.476 1.045 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638131697 451304307 /nfs/dbraw/zinc/30/43/07/451304307.db2.gz AKPAKLWTXUUIFY-JLSDUUJJSA-N 2 1 330.476 1.045 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638131697 451304311 /nfs/dbraw/zinc/30/43/11/451304311.db2.gz AKPAKLWTXUUIFY-JLSDUUJJSA-N 2 1 330.476 1.045 20 0 EDADMP C[NH2+]CCC1CCN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638152833 451324579 /nfs/dbraw/zinc/32/45/79/451324579.db2.gz RWQCOCYYSASNPN-SFHVURJKSA-N 2 1 332.492 1.294 20 0 EDADMP C[NH2+]CCC1CCN(C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638152833 451324583 /nfs/dbraw/zinc/32/45/83/451324583.db2.gz RWQCOCYYSASNPN-SFHVURJKSA-N 2 1 332.492 1.294 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000635878911 451326027 /nfs/dbraw/zinc/32/60/27/451326027.db2.gz XLBIJHJEMQTYTO-GBESFXJTSA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000635878911 451326028 /nfs/dbraw/zinc/32/60/28/451326028.db2.gz XLBIJHJEMQTYTO-GBESFXJTSA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000635878911 451326030 /nfs/dbraw/zinc/32/60/30/451326030.db2.gz XLBIJHJEMQTYTO-GBESFXJTSA-N 2 1 327.472 1.919 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000638214955 451358620 /nfs/dbraw/zinc/35/86/20/451358620.db2.gz HSNVFKXVUYUSCB-ROUUACIJSA-N 2 1 340.427 1.133 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636629664 451367890 /nfs/dbraw/zinc/36/78/90/451367890.db2.gz UVHNHSAHGAYBJN-RYQLBKOJSA-N 2 1 346.475 1.188 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000636629664 451367897 /nfs/dbraw/zinc/36/78/97/451367897.db2.gz UVHNHSAHGAYBJN-RYQLBKOJSA-N 2 1 346.475 1.188 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000636629664 451367903 /nfs/dbraw/zinc/36/79/03/451367903.db2.gz UVHNHSAHGAYBJN-RYQLBKOJSA-N 2 1 346.475 1.188 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638267081 451388009 /nfs/dbraw/zinc/38/80/09/451388009.db2.gz FDRKLEGMLGAYDG-ROUUACIJSA-N 3 1 344.503 1.614 20 0 EDADMP Cn1c2cc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)ccc2oc1=O ZINC000638184546 451344589 /nfs/dbraw/zinc/34/45/89/451344589.db2.gz YJTBMOFZGGPRFF-RVKKMQEKSA-N 2 1 345.443 1.815 20 0 EDADMP Cn1c2cc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)ccc2oc1=O ZINC000638184546 451344590 /nfs/dbraw/zinc/34/45/90/451344590.db2.gz YJTBMOFZGGPRFF-RVKKMQEKSA-N 2 1 345.443 1.815 20 0 EDADMP Cn1c2cc(C[N@@H+]3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@H]43)ccc2oc1=O ZINC000638184539 451345094 /nfs/dbraw/zinc/34/50/94/451345094.db2.gz YJTBMOFZGGPRFF-RKVPGOIHSA-N 2 1 345.443 1.815 20 0 EDADMP Cn1c2cc(C[N@H+]3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@H]43)ccc2oc1=O ZINC000638184539 451345102 /nfs/dbraw/zinc/34/51/02/451345102.db2.gz YJTBMOFZGGPRFF-RKVPGOIHSA-N 2 1 345.443 1.815 20 0 EDADMP CO[C@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000638304595 451418552 /nfs/dbraw/zinc/41/85/52/451418552.db2.gz IGAVOWGFQXCBAW-RTBURBONSA-N 2 1 334.460 1.660 20 0 EDADMP C[C@@H]1C[N@H+](CCNC(=O)Cc2cccc3c2CC[NH2+]C3)[C@@H](C)CO1 ZINC000638405703 451493975 /nfs/dbraw/zinc/49/39/75/451493975.db2.gz GESPNJDZBWLBPQ-LSDHHAIUSA-N 2 1 331.460 1.100 20 0 EDADMP C[C@@H]1C[N@@H+](CCNC(=O)Cc2cccc3c2CC[NH2+]C3)[C@@H](C)CO1 ZINC000638405703 451493980 /nfs/dbraw/zinc/49/39/80/451493980.db2.gz GESPNJDZBWLBPQ-LSDHHAIUSA-N 2 1 331.460 1.100 20 0 EDADMP CO[C@@H]1COCC[C@@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715330 451495663 /nfs/dbraw/zinc/49/56/63/451495663.db2.gz AYSJABKVBNOPIL-QRVBRYPASA-N 2 1 334.460 1.265 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCCNC(=O)C2)[C@@H](c2ccccc2)C1 ZINC000638356212 451458000 /nfs/dbraw/zinc/45/80/00/451458000.db2.gz XWQVHYTXYFCFGW-RBUKOAKNSA-N 2 1 344.503 1.624 20 0 EDADMP CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000638358543 451458279 /nfs/dbraw/zinc/45/82/79/451458279.db2.gz FEGWEGQTTBAEHJ-CYBMUJFWSA-N 2 1 329.510 1.311 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)ccn1 ZINC000640616807 451464724 /nfs/dbraw/zinc/46/47/24/451464724.db2.gz ROCNOPKSMULAPT-OAHLLOKOSA-N 2 1 335.452 1.112 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)ccn1 ZINC000640616807 451464726 /nfs/dbraw/zinc/46/47/26/451464726.db2.gz ROCNOPKSMULAPT-OAHLLOKOSA-N 2 1 335.452 1.112 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000638388969 451480430 /nfs/dbraw/zinc/48/04/30/451480430.db2.gz KSJNYBTZRHUYBV-SFHVURJKSA-N 2 1 344.434 1.360 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000638388969 451480431 /nfs/dbraw/zinc/48/04/31/451480431.db2.gz KSJNYBTZRHUYBV-SFHVURJKSA-N 2 1 344.434 1.360 20 0 EDADMP O[C@]1(C[NH2+]CCOC[C@H]2CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704708 451481217 /nfs/dbraw/zinc/48/12/17/451481217.db2.gz OJJCTLLACSYSNK-OALUTQOASA-N 2 1 334.460 1.266 20 0 EDADMP O[C@]1(C[NH2+]CCOC[C@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704708 451481221 /nfs/dbraw/zinc/48/12/21/451481221.db2.gz OJJCTLLACSYSNK-OALUTQOASA-N 2 1 334.460 1.266 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000638393210 451483299 /nfs/dbraw/zinc/48/32/99/451483299.db2.gz OLDOBRDUFIDDJF-OAGGEKHMSA-N 2 1 334.464 1.894 20 0 EDADMP CO[C@@H]1COCC[C@@H]1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715330 451495661 /nfs/dbraw/zinc/49/56/61/451495661.db2.gz AYSJABKVBNOPIL-QRVBRYPASA-N 2 1 334.460 1.265 20 0 EDADMP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000634729538 451510159 /nfs/dbraw/zinc/51/01/59/451510159.db2.gz NZUGDTZPQPQHQA-CZUORRHYSA-N 2 1 340.489 1.238 20 0 EDADMP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000634729538 451510164 /nfs/dbraw/zinc/51/01/64/451510164.db2.gz NZUGDTZPQPQHQA-CZUORRHYSA-N 2 1 340.489 1.238 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000634745496 451522408 /nfs/dbraw/zinc/52/24/08/451522408.db2.gz JYOWSOTWGKWWQC-DARIXABFSA-N 2 1 337.508 1.578 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000634745496 451522411 /nfs/dbraw/zinc/52/24/11/451522411.db2.gz JYOWSOTWGKWWQC-DARIXABFSA-N 2 1 337.508 1.578 20 0 EDADMP [NH3+][C@@H](C(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccccc1Br ZINC000638508418 451551766 /nfs/dbraw/zinc/55/17/66/451551766.db2.gz PAWUIPAELKQJMT-QWHCGFSZSA-N 2 1 338.249 1.850 20 0 EDADMP COCCc1ncc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)s1 ZINC000631063112 451563415 /nfs/dbraw/zinc/56/34/15/451563415.db2.gz BJZCRDHOHXOXTD-UHFFFAOYSA-N 2 1 326.510 1.449 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000638571116 451582243 /nfs/dbraw/zinc/58/22/43/451582243.db2.gz PDXYFEKCYBLWOO-RDJZCZTQSA-N 2 1 339.528 1.170 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000638571116 451582248 /nfs/dbraw/zinc/58/22/48/451582248.db2.gz PDXYFEKCYBLWOO-RDJZCZTQSA-N 2 1 339.528 1.170 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)[C@]12CCCO2 ZINC000638618502 451611757 /nfs/dbraw/zinc/61/17/57/451611757.db2.gz IFVOPDPVCOLSOH-BSDSXHPESA-N 2 1 326.481 1.540 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000638567183 451579640 /nfs/dbraw/zinc/57/96/40/451579640.db2.gz YTIMTLXTYPSKDF-OAHLLOKOSA-N 2 1 345.553 1.947 20 0 EDADMP C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000637032459 451689683 /nfs/dbraw/zinc/68/96/83/451689683.db2.gz AYOPMUVLEYGUNA-BFYDXBDKSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637032459 451689686 /nfs/dbraw/zinc/68/96/86/451689686.db2.gz AYOPMUVLEYGUNA-BFYDXBDKSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000637032459 451689687 /nfs/dbraw/zinc/68/96/87/451689687.db2.gz AYOPMUVLEYGUNA-BFYDXBDKSA-N 2 1 338.496 1.005 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000638977311 451744343 /nfs/dbraw/zinc/74/43/43/451744343.db2.gz KJNZQTDUPQTBAF-QGZVFWFLSA-N 2 1 343.431 1.797 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ncc(Cl)s3)nn2)CC1 ZINC000641070140 451744949 /nfs/dbraw/zinc/74/49/49/451744949.db2.gz XEIPOHRWPAKJIK-UHFFFAOYSA-N 2 1 326.857 1.402 20 0 EDADMP [NH3+]C[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccccc1 ZINC000638987738 451748025 /nfs/dbraw/zinc/74/80/25/451748025.db2.gz XTUDEEYEMRWMQW-MRXNPFEDSA-N 2 1 325.416 1.172 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC2(C[NH3+])CCCCC2)CC1 ZINC000638999039 451750110 /nfs/dbraw/zinc/75/01/10/451750110.db2.gz UZZVEMWPVILBAF-UHFFFAOYSA-N 2 1 333.480 1.410 20 0 EDADMP CO[C@@H](Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1)c1ccccc1 ZINC000641128771 451757419 /nfs/dbraw/zinc/75/74/19/451757419.db2.gz BVTFXAXZUGMYTF-SFHVURJKSA-N 2 1 329.448 1.631 20 0 EDADMP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000641168523 451768196 /nfs/dbraw/zinc/76/81/96/451768196.db2.gz YJCXUIXCPJFXRY-GOSISDBHSA-N 2 1 344.459 1.296 20 0 EDADMP CO[C@]1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCOC1 ZINC000639107289 451769028 /nfs/dbraw/zinc/76/90/28/451769028.db2.gz ZLVRPJOYAQVTSI-OALUTQOASA-N 2 1 334.460 1.673 20 0 EDADMP CO[C@]1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCOC1 ZINC000639107289 451769030 /nfs/dbraw/zinc/76/90/30/451769030.db2.gz ZLVRPJOYAQVTSI-OALUTQOASA-N 2 1 334.460 1.673 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@@H](OC)C1CCOCC1 ZINC000639171024 451784432 /nfs/dbraw/zinc/78/44/32/451784432.db2.gz OJHXZWXKRLIEAD-RBUKOAKNSA-N 2 1 341.540 1.776 20 0 EDADMP CN(CC[N@@H+](C)CC(C)(C)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000639169920 451784593 /nfs/dbraw/zinc/78/45/93/451784593.db2.gz MYQUINVAXJRQBI-UHFFFAOYSA-N 2 1 326.529 1.055 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000644573767 451870561 /nfs/dbraw/zinc/87/05/61/451870561.db2.gz JQMOVNNRHGUTEE-HNNXBMFYSA-N 2 1 347.415 1.730 20 0 EDADMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000646914426 451930964 /nfs/dbraw/zinc/93/09/64/451930964.db2.gz XCHNQVJRLCSYRZ-FHWLQOOXSA-N 2 1 342.487 1.138 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000646914426 451930969 /nfs/dbraw/zinc/93/09/69/451930969.db2.gz XCHNQVJRLCSYRZ-FHWLQOOXSA-N 2 1 342.487 1.138 20 0 EDADMP Cc1cc(C)c(CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(C)n1 ZINC000639546383 451935480 /nfs/dbraw/zinc/93/54/80/451935480.db2.gz NHFLJQWJOKUIED-GOSISDBHSA-N 2 1 330.476 1.921 20 0 EDADMP Cc1cc(C)c(C[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(C)n1 ZINC000639546383 451935484 /nfs/dbraw/zinc/93/54/84/451935484.db2.gz NHFLJQWJOKUIED-GOSISDBHSA-N 2 1 330.476 1.921 20 0 EDADMP O[C@]1(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CCN(Cc2ccccc2)C1 ZINC000639545317 451935703 /nfs/dbraw/zinc/93/57/03/451935703.db2.gz UUXRTAJQECALGT-AQNXPRMDSA-N 2 1 330.472 1.982 20 0 EDADMP O[C@]1(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639545317 451935710 /nfs/dbraw/zinc/93/57/10/451935710.db2.gz UUXRTAJQECALGT-AQNXPRMDSA-N 2 1 330.472 1.982 20 0 EDADMP O[C@]1(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639545317 451935716 /nfs/dbraw/zinc/93/57/16/451935716.db2.gz UUXRTAJQECALGT-AQNXPRMDSA-N 2 1 330.472 1.982 20 0 EDADMP O[C@]1(C[NH+]2CC[C@@H]([C@@H]3CCOC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639545317 451935722 /nfs/dbraw/zinc/93/57/22/451935722.db2.gz UUXRTAJQECALGT-AQNXPRMDSA-N 2 1 330.472 1.982 20 0 EDADMP O[C@]1(C[NH+]2CC[C@@H]([C@@H]3CCOC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639545317 451935725 /nfs/dbraw/zinc/93/57/25/451935725.db2.gz UUXRTAJQECALGT-AQNXPRMDSA-N 2 1 330.472 1.982 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000653432532 451945521 /nfs/dbraw/zinc/94/55/21/451945521.db2.gz MSNNAMPVFVPOEC-UHFFFAOYSA-N 2 1 345.447 1.045 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3CCOC(C)(C)C3)cn2)CC1 ZINC000651596137 451946809 /nfs/dbraw/zinc/94/68/09/451946809.db2.gz WHXSUCNRJFOANV-OAHLLOKOSA-N 2 1 333.480 1.523 20 0 EDADMP Cn1ccnc1[C@H]1CC[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639566211 451947802 /nfs/dbraw/zinc/94/78/02/451947802.db2.gz JARULRPPUNWINM-AZUAARDMSA-N 3 1 340.471 1.846 20 0 EDADMP Cn1ccnc1[C@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639566211 451947808 /nfs/dbraw/zinc/94/78/08/451947808.db2.gz JARULRPPUNWINM-AZUAARDMSA-N 3 1 340.471 1.846 20 0 EDADMP Cn1ccnc1[C@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639566211 451947812 /nfs/dbraw/zinc/94/78/12/451947812.db2.gz JARULRPPUNWINM-AZUAARDMSA-N 3 1 340.471 1.846 20 0 EDADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@@]3(N)CC[N@@H+](C)C3)cc2)CC1 ZINC000649288288 451962250 /nfs/dbraw/zinc/96/22/50/451962250.db2.gz IOHUCZBWKYDHPD-LJQANCHMSA-N 2 1 330.476 1.890 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000649288338 451962591 /nfs/dbraw/zinc/96/25/91/451962591.db2.gz LBKQLQOMMZEPGU-MRXNPFEDSA-N 2 1 345.487 1.913 20 0 EDADMP CC(C)([NH3+])CCC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000649299378 451976731 /nfs/dbraw/zinc/97/67/31/451976731.db2.gz OLFYNGVRBLUABH-OAHLLOKOSA-N 2 1 332.448 1.592 20 0 EDADMP CC(C)([NH3+])CCC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000649299378 451976736 /nfs/dbraw/zinc/97/67/36/451976736.db2.gz OLFYNGVRBLUABH-OAHLLOKOSA-N 2 1 332.448 1.592 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]([NH3+])C3CCC3)cc2)CC1 ZINC000649308599 451986149 /nfs/dbraw/zinc/98/61/49/451986149.db2.gz PMGOPRFCPSZKGU-QGZVFWFLSA-N 2 1 344.459 1.530 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000649310482 451987472 /nfs/dbraw/zinc/98/74/72/451987472.db2.gz MJKSCWOKIWDPOJ-HOTGVXAUSA-N 2 1 338.496 1.097 20 0 EDADMP C[N@H+]1CC[C@@](N)(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000649312941 451991086 /nfs/dbraw/zinc/99/10/86/451991086.db2.gz MXXQQIATVPHYDN-KRWDZBQOSA-N 2 1 334.489 1.207 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3CCC[C@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000649345863 452029312 /nfs/dbraw/zinc/02/93/12/452029312.db2.gz QGWDJVVXNKMDBF-GOEBONIOSA-N 2 1 331.464 1.553 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000649412064 452075475 /nfs/dbraw/zinc/07/54/75/452075475.db2.gz HCNYNRSHQPAJEF-AABGKKOBSA-N 2 1 347.503 1.104 20 0 EDADMP Cn1cc(-c2nc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cs2)cn1 ZINC000649419060 452082178 /nfs/dbraw/zinc/08/21/78/452082178.db2.gz CRLGINDMJPWLPU-OAHLLOKOSA-N 2 1 332.477 1.023 20 0 EDADMP Cn1cc(-c2nc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cs2)cn1 ZINC000649419060 452082182 /nfs/dbraw/zinc/08/21/82/452082182.db2.gz CRLGINDMJPWLPU-OAHLLOKOSA-N 2 1 332.477 1.023 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000639762180 452100979 /nfs/dbraw/zinc/10/09/79/452100979.db2.gz HHJGBFNZEOARDP-QFBILLFUSA-N 2 1 339.524 1.660 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639763456 452103760 /nfs/dbraw/zinc/10/37/60/452103760.db2.gz QSMIDBWCGGUKBH-VQTJNVASSA-N 2 1 347.503 1.012 20 0 EDADMP COc1cccc(OCC[NH+]2CCN(C[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000649552604 452140995 /nfs/dbraw/zinc/14/09/95/452140995.db2.gz OUQDSQQTMYFKJF-QGZVFWFLSA-N 2 1 333.476 1.786 20 0 EDADMP COc1cccc(OCC[NH+]2CCN(C[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000649552604 452141001 /nfs/dbraw/zinc/14/10/01/452141001.db2.gz OUQDSQQTMYFKJF-QGZVFWFLSA-N 2 1 333.476 1.786 20 0 EDADMP COCCCCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637922776 452172494 /nfs/dbraw/zinc/17/24/94/452172494.db2.gz QYRNUWQPZCQVQC-UHFFFAOYSA-N 2 1 333.476 1.913 20 0 EDADMP C[NH+](C)[C@@H]1C[C@H](CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000654067217 452233321 /nfs/dbraw/zinc/23/33/21/452233321.db2.gz VYVXOFHHBUHETI-UHOSZYNNSA-N 2 1 344.503 1.432 20 0 EDADMP c1c(CN[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)nn2c1CCCC2 ZINC000641786875 452260642 /nfs/dbraw/zinc/26/06/42/452260642.db2.gz IRHUAELXGMTQDF-QGZVFWFLSA-N 2 1 347.507 1.106 20 0 EDADMP COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000647550785 452278043 /nfs/dbraw/zinc/27/80/43/452278043.db2.gz GPUSKJYZKXJXGN-YJBOKZPZSA-N 2 1 345.487 1.816 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659437795 452284750 /nfs/dbraw/zinc/28/47/50/452284750.db2.gz IDKWFAGZVPEEHO-KRWDZBQOSA-N 2 1 340.512 1.376 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487516 452284771 /nfs/dbraw/zinc/28/47/71/452284771.db2.gz GQXSGTQUHGYOAH-ZJOBFFGXSA-N 2 1 337.439 1.482 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487516 452284776 /nfs/dbraw/zinc/28/47/76/452284776.db2.gz GQXSGTQUHGYOAH-ZJOBFFGXSA-N 2 1 337.439 1.482 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NCCC(C)(C)[NH3+])ccc1Cl ZINC000641821125 452301372 /nfs/dbraw/zinc/30/13/72/452301372.db2.gz FVGKMAOKPRLVIK-UHFFFAOYSA-N 2 1 340.855 1.584 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000659452804 452303422 /nfs/dbraw/zinc/30/34/22/452303422.db2.gz FCDUQNBVWSVBHM-LBPRGKRZSA-N 2 1 337.468 1.411 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000661505669 452308699 /nfs/dbraw/zinc/30/86/99/452308699.db2.gz CBPDOFBLGZOHFT-CVEARBPZSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000661505669 452308708 /nfs/dbraw/zinc/30/87/08/452308708.db2.gz CBPDOFBLGZOHFT-CVEARBPZSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000661505669 452308716 /nfs/dbraw/zinc/30/87/16/452308716.db2.gz CBPDOFBLGZOHFT-CVEARBPZSA-N 2 1 340.512 1.515 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659457348 452311146 /nfs/dbraw/zinc/31/11/46/452311146.db2.gz ZRDIIHWPZLSXEJ-SZMVWBNQSA-N 2 1 346.450 1.807 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659458838 452312704 /nfs/dbraw/zinc/31/27/04/452312704.db2.gz ALJSXYRCKNRDRQ-KRWDZBQOSA-N 2 1 340.512 1.376 20 0 EDADMP CCC1([NH+]2CCCC2)CCN(C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000639986423 452317645 /nfs/dbraw/zinc/31/76/45/452317645.db2.gz MKQRUGOAHWIZAX-QGZVFWFLSA-N 2 1 327.513 1.266 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](CO)C1CCCC1 ZINC000665762465 452339293 /nfs/dbraw/zinc/33/92/93/452339293.db2.gz FIXDSGJPSPCQBX-GOEBONIOSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](CO)C1CCCC1 ZINC000665762465 452339290 /nfs/dbraw/zinc/33/92/90/452339290.db2.gz FIXDSGJPSPCQBX-GOEBONIOSA-N 2 1 328.501 1.109 20 0 EDADMP CO[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@H](C)C1 ZINC000665762511 452339875 /nfs/dbraw/zinc/33/98/75/452339875.db2.gz GWTJRWULESZNLZ-XHSDSOJGSA-N 2 1 328.501 1.467 20 0 EDADMP CO[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@H](C)C1 ZINC000665762511 452339876 /nfs/dbraw/zinc/33/98/76/452339876.db2.gz GWTJRWULESZNLZ-XHSDSOJGSA-N 2 1 328.501 1.467 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000659485181 452345879 /nfs/dbraw/zinc/34/58/79/452345879.db2.gz KKWFJHTULVHYAZ-NVXWUHKLSA-N 2 1 334.464 1.185 20 0 EDADMP Cc1ccncc1CC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000657587628 452356933 /nfs/dbraw/zinc/35/69/33/452356933.db2.gz FTZZAQOZPUTDMT-UHFFFAOYSA-N 2 1 326.448 1.264 20 0 EDADMP CCCN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645393080 452365844 /nfs/dbraw/zinc/36/58/44/452365844.db2.gz HWRQIXSQFGTFHB-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP CCO[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C[NH3+] ZINC000652171177 452366391 /nfs/dbraw/zinc/36/63/91/452366391.db2.gz CPNGDBYINSBHFW-GVDBMIGSSA-N 2 1 340.512 1.360 20 0 EDADMP O=C(NCCC[NH2+]C1CC1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000659506224 452371076 /nfs/dbraw/zinc/37/10/76/452371076.db2.gz MNIJMHGKPNDRMY-SFHVURJKSA-N 2 1 346.475 1.195 20 0 EDADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000638076425 452388924 /nfs/dbraw/zinc/38/89/24/452388924.db2.gz KPRVGPZZFHSCQN-IBGZPJMESA-N 2 1 347.503 1.781 20 0 EDADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000638076425 452388933 /nfs/dbraw/zinc/38/89/33/452388933.db2.gz KPRVGPZZFHSCQN-IBGZPJMESA-N 2 1 347.503 1.781 20 0 EDADMP O=C(NCC1C[NH2+]C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659526813 452390497 /nfs/dbraw/zinc/39/04/97/452390497.db2.gz GJLMVWWOCPUGGA-GOSISDBHSA-N 2 1 342.487 1.807 20 0 EDADMP CCC[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659527200 452390782 /nfs/dbraw/zinc/39/07/82/452390782.db2.gz UIUCHSRSWNGWNJ-GOSISDBHSA-N 2 1 347.507 1.101 20 0 EDADMP CCC[NH2+]CCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659527200 452390787 /nfs/dbraw/zinc/39/07/87/452390787.db2.gz UIUCHSRSWNGWNJ-GOSISDBHSA-N 2 1 347.507 1.101 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC[NH2+]1 ZINC000659545332 452403900 /nfs/dbraw/zinc/40/39/00/452403900.db2.gz ZSKNWVIVWVHUHV-ZTFGCOKTSA-N 2 1 346.475 1.193 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645507475 452476385 /nfs/dbraw/zinc/47/63/85/452476385.db2.gz ODQLIARVPKNYMY-SFHVURJKSA-N 2 1 344.503 1.438 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000659619025 452476980 /nfs/dbraw/zinc/47/69/80/452476980.db2.gz SUXKCSLFUZMFHD-MYCCOQIQSA-N 2 1 336.480 1.022 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000659619025 452476986 /nfs/dbraw/zinc/47/69/86/452476986.db2.gz SUXKCSLFUZMFHD-MYCCOQIQSA-N 2 1 336.480 1.022 20 0 EDADMP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654428982 452482282 /nfs/dbraw/zinc/48/22/82/452482282.db2.gz PQGJSXRORKPDLP-WCXIOVBPSA-N 2 1 340.512 1.515 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654428982 452482287 /nfs/dbraw/zinc/48/22/87/452482287.db2.gz PQGJSXRORKPDLP-WCXIOVBPSA-N 2 1 340.512 1.515 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654428982 452482296 /nfs/dbraw/zinc/48/22/96/452482296.db2.gz PQGJSXRORKPDLP-WCXIOVBPSA-N 2 1 340.512 1.515 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654428982 452482305 /nfs/dbraw/zinc/48/23/05/452482305.db2.gz PQGJSXRORKPDLP-WCXIOVBPSA-N 2 1 340.512 1.515 20 0 EDADMP Cc1ncc2c(n1)CC[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000655687569 452510710 /nfs/dbraw/zinc/51/07/10/452510710.db2.gz QNPILDZERWVFIA-ZWKOTPCHSA-N 2 1 330.476 1.875 20 0 EDADMP FC(F)(F)CN1CC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655694215 452515964 /nfs/dbraw/zinc/51/59/64/452515964.db2.gz DKDHPNMCADZARR-UKRRQHHQSA-N 2 1 335.414 1.714 20 0 EDADMP Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347109 452523181 /nfs/dbraw/zinc/52/31/81/452523181.db2.gz RUDGFSBRJVALCC-FHWLQOOXSA-N 2 1 345.487 1.830 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+]([C@H]3CCN(CC(F)(F)F)C3=O)C2)C1 ZINC000652348813 452524914 /nfs/dbraw/zinc/52/49/14/452524914.db2.gz SDAHXXYQXNNTFG-CRWXNKLISA-N 2 1 349.397 1.368 20 0 EDADMP Fc1ccccc1Cc1nnc2n1CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000652353206 452528019 /nfs/dbraw/zinc/52/80/19/452528019.db2.gz QXKHGMDIZILMSE-AWEZNQCLSA-N 2 1 329.423 1.823 20 0 EDADMP Fc1ccccc1Cc1nnc2n1CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000652353206 452528022 /nfs/dbraw/zinc/52/80/22/452528022.db2.gz QXKHGMDIZILMSE-AWEZNQCLSA-N 2 1 329.423 1.823 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652353959 452533198 /nfs/dbraw/zinc/53/31/98/452533198.db2.gz IIVTXNSHCCETBI-WMZOPIPTSA-N 2 1 333.476 1.939 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652353959 452533202 /nfs/dbraw/zinc/53/32/02/452533202.db2.gz IIVTXNSHCCETBI-WMZOPIPTSA-N 2 1 333.476 1.939 20 0 EDADMP CCO[C@@H]1C[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C[NH3+] ZINC000652357037 452535232 /nfs/dbraw/zinc/53/52/32/452535232.db2.gz YFHPCMKCNNDCAR-IAQYHMDHSA-N 2 1 327.375 1.589 20 0 EDADMP C([C@H]1CCOC1)[NH+]1CCC([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655725942 452539986 /nfs/dbraw/zinc/53/99/86/452539986.db2.gz NZRYTVBKGLOFNE-APWZRJJASA-N 2 1 337.508 1.330 20 0 EDADMP CCN(C(=O)NC1CC[NH+](CCOC)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663826370 452553724 /nfs/dbraw/zinc/55/37/24/452553724.db2.gz RSKWTPLCZOXOPZ-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP COCCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655756736 452560043 /nfs/dbraw/zinc/56/00/43/452560043.db2.gz XEGQMIMBLUBJIT-FGTMMUONSA-N 2 1 342.480 1.040 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1(C)C ZINC000655762733 452564221 /nfs/dbraw/zinc/56/42/21/452564221.db2.gz IIZMKGAQRADCTC-GOSISDBHSA-N 2 1 338.540 1.245 20 0 EDADMP C[N@@H+]1CCN(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1(C)C ZINC000655762733 452564234 /nfs/dbraw/zinc/56/42/34/452564234.db2.gz IIZMKGAQRADCTC-GOSISDBHSA-N 3 1 338.540 1.245 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1(C)C ZINC000655762733 452564242 /nfs/dbraw/zinc/56/42/42/452564242.db2.gz IIZMKGAQRADCTC-GOSISDBHSA-N 3 1 338.540 1.245 20 0 EDADMP O[C@@H]1[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC12CCOCC2 ZINC000655765902 452564298 /nfs/dbraw/zinc/56/42/98/452564298.db2.gz KRBFHCTUWUFWJA-BPQIPLTHSA-N 2 1 338.492 1.397 20 0 EDADMP CC1(C)C[C@@H](O)CC[NH+](CC(O)C[N@@H+]2CC[C@H](O)CC(C)(C)C2)C1 ZINC000650163614 452566000 /nfs/dbraw/zinc/56/60/00/452566000.db2.gz FHIVLZHSTFCWFG-HOTGVXAUSA-N 2 1 342.524 1.313 20 0 EDADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834841 452567426 /nfs/dbraw/zinc/56/74/26/452567426.db2.gz AYYPHURVOTWAMP-GFCCVEGCSA-N 2 1 342.846 1.643 20 0 EDADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834841 452567435 /nfs/dbraw/zinc/56/74/35/452567435.db2.gz AYYPHURVOTWAMP-GFCCVEGCSA-N 2 1 342.846 1.643 20 0 EDADMP OCC[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772484 452569137 /nfs/dbraw/zinc/56/91/37/452569137.db2.gz XEBZFSARIPKQDR-MSOLQXFVSA-N 2 1 325.497 1.066 20 0 EDADMP OCC[N@H+]1CCCC[C@@H]1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772484 452569148 /nfs/dbraw/zinc/56/91/48/452569148.db2.gz XEBZFSARIPKQDR-MSOLQXFVSA-N 2 1 325.497 1.066 20 0 EDADMP C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+](C)CCC[NH3+] ZINC000647848934 452582760 /nfs/dbraw/zinc/58/27/60/452582760.db2.gz APLHZEKHOVSKCR-ZDUSSCGKSA-N 2 1 327.856 1.846 20 0 EDADMP C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+](C)CCC[NH3+] ZINC000647848934 452582767 /nfs/dbraw/zinc/58/27/67/452582767.db2.gz APLHZEKHOVSKCR-ZDUSSCGKSA-N 2 1 327.856 1.846 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H]2C)CC1 ZINC000650187927 452583961 /nfs/dbraw/zinc/58/39/61/452583961.db2.gz MFNYWIYRESEOPE-VQIMIIECSA-N 2 1 345.487 1.531 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000661846049 452627220 /nfs/dbraw/zinc/62/72/20/452627220.db2.gz WVJPQTKTJKGPLA-HZPDHXFCSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000652460615 452655651 /nfs/dbraw/zinc/65/56/51/452655651.db2.gz AHEWFUAOJPVJNH-HZPDHXFCSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000652460615 452655656 /nfs/dbraw/zinc/65/56/56/452655656.db2.gz AHEWFUAOJPVJNH-HZPDHXFCSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000652460615 452655663 /nfs/dbraw/zinc/65/56/63/452655663.db2.gz AHEWFUAOJPVJNH-HZPDHXFCSA-N 2 1 340.512 1.022 20 0 EDADMP Cn1ncc2c1nc(C[N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)[nH]c2=O ZINC000647975593 452720026 /nfs/dbraw/zinc/72/00/26/452720026.db2.gz CLHMYBMOBYACJO-OLZOCXBDSA-N 2 1 330.436 1.281 20 0 EDADMP Cn1ncc2c1nc(C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)[nH]c2=O ZINC000647975593 452720037 /nfs/dbraw/zinc/72/00/37/452720037.db2.gz CLHMYBMOBYACJO-OLZOCXBDSA-N 2 1 330.436 1.281 20 0 EDADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000647990202 452733879 /nfs/dbraw/zinc/73/38/79/452733879.db2.gz FOBRHBONYLNBEG-HNNXBMFYSA-N 2 1 343.479 1.415 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000655970278 452751355 /nfs/dbraw/zinc/75/13/55/452751355.db2.gz HBKHMIWPZVDREG-CAOSSQGBSA-N 2 1 326.485 1.125 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000655970278 452751360 /nfs/dbraw/zinc/75/13/60/452751360.db2.gz HBKHMIWPZVDREG-CAOSSQGBSA-N 2 1 326.485 1.125 20 0 EDADMP [NH3+]CCCOC1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655973862 452756930 /nfs/dbraw/zinc/75/69/30/452756930.db2.gz JSZOTWSJCVIHJB-DLBZAZTESA-N 2 1 338.496 1.543 20 0 EDADMP CCN(C(=O)NC[C@H]1CCC[NH+]1CCOC)[C@H]1CC[N@@H+](CC)C1 ZINC000664066294 452759158 /nfs/dbraw/zinc/75/91/58/452759158.db2.gz UGZRSVXDOIBWIC-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CCN(C(=O)NC[C@H]1CCC[N@@H+]1CCOC)[C@H]1CC[NH+](CC)C1 ZINC000664066294 452759163 /nfs/dbraw/zinc/75/91/63/452759163.db2.gz UGZRSVXDOIBWIC-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CCN(C(=O)NC[C@H]1CCC[N@H+]1CCOC)[C@H]1CC[NH+](CC)C1 ZINC000664066294 452759167 /nfs/dbraw/zinc/75/91/67/452759167.db2.gz UGZRSVXDOIBWIC-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648130070 452844335 /nfs/dbraw/zinc/84/43/35/452844335.db2.gz GPYGYHSQSRISKI-UONOGXRCSA-N 2 1 339.386 1.413 20 0 EDADMP CCN(C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000664189846 452862206 /nfs/dbraw/zinc/86/22/06/452862206.db2.gz AGXLMXQLCKABME-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP CCN(C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664189846 452862214 /nfs/dbraw/zinc/86/22/14/452862214.db2.gz AGXLMXQLCKABME-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153984 452891027 /nfs/dbraw/zinc/89/10/27/452891027.db2.gz VTQUKVJLTKAJCN-MRXNPFEDSA-N 2 1 349.450 1.994 20 0 EDADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153984 452891038 /nfs/dbraw/zinc/89/10/38/452891038.db2.gz VTQUKVJLTKAJCN-MRXNPFEDSA-N 2 1 349.450 1.994 20 0 EDADMP COc1cccc(SCC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000662243053 452970138 /nfs/dbraw/zinc/97/01/38/452970138.db2.gz KUBSQQKQHZSHPE-CQSZACIVSA-N 2 1 337.489 1.574 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCc2nsc3ccccc23)C1 ZINC000662242772 452970620 /nfs/dbraw/zinc/97/06/20/452970620.db2.gz JAAGCAWNAQFLHW-ZDUSSCGKSA-N 2 1 332.473 1.626 20 0 EDADMP C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252684 452980176 /nfs/dbraw/zinc/98/01/76/452980176.db2.gz RHRFBAFDAXVBRJ-QGZVFWFLSA-N 2 1 329.444 1.532 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1)[C@@H]1CCC[NH2+]1 ZINC000662265569 452997462 /nfs/dbraw/zinc/99/74/62/452997462.db2.gz RHBVUGHYSJZOIE-BBRMVZONSA-N 2 1 332.448 1.632 20 0 EDADMP COc1ccc2c(c1)CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC000662312710 453031215 /nfs/dbraw/zinc/03/12/15/453031215.db2.gz ZDIUCNBWKQPSDB-PMACEKPBSA-N 2 1 326.440 1.984 20 0 EDADMP COc1ccc2c(c1)CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC000662312710 453031222 /nfs/dbraw/zinc/03/12/22/453031222.db2.gz ZDIUCNBWKQPSDB-PMACEKPBSA-N 2 1 326.440 1.984 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)CCO1 ZINC000662318780 453034861 /nfs/dbraw/zinc/03/48/61/453034861.db2.gz GJRHWFRHEXRJHQ-HZPDHXFCSA-N 2 1 326.437 1.200 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)CCO1 ZINC000662318780 453034871 /nfs/dbraw/zinc/03/48/71/453034871.db2.gz GJRHWFRHEXRJHQ-HZPDHXFCSA-N 2 1 326.437 1.200 20 0 EDADMP C[C@H](C(=O)NC1CC1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328089 453044930 /nfs/dbraw/zinc/04/49/30/453044930.db2.gz OHPLYJJQBQALQE-CYBMUJFWSA-N 2 1 345.491 1.723 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C(C)(C)C1 ZINC000652925894 453106929 /nfs/dbraw/zinc/10/69/29/453106929.db2.gz DNDXZEWWKWZVLR-XHSDSOJGSA-N 2 1 325.497 1.817 20 0 EDADMP COCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C(C)(C)C1 ZINC000652925894 453106938 /nfs/dbraw/zinc/10/69/38/453106938.db2.gz DNDXZEWWKWZVLR-XHSDSOJGSA-N 2 1 325.497 1.817 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C(C)(C)C1 ZINC000652925894 453106942 /nfs/dbraw/zinc/10/69/42/453106942.db2.gz DNDXZEWWKWZVLR-XHSDSOJGSA-N 2 1 325.497 1.817 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C(C)(C)C1 ZINC000652925894 453106951 /nfs/dbraw/zinc/10/69/51/453106951.db2.gz DNDXZEWWKWZVLR-XHSDSOJGSA-N 2 1 325.497 1.817 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@H+](CCCn1c3ccccc3[nH]c1=O)CCO2 ZINC000646104476 453107092 /nfs/dbraw/zinc/10/70/92/453107092.db2.gz FISBWBRHOHIDKW-UHFFFAOYSA-N 2 1 344.459 1.929 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCn1c3ccccc3[nH]c1=O)CCO2 ZINC000646104476 453107099 /nfs/dbraw/zinc/10/70/99/453107099.db2.gz FISBWBRHOHIDKW-UHFFFAOYSA-N 2 1 344.459 1.929 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662401650 453113231 /nfs/dbraw/zinc/11/32/31/453113231.db2.gz PSEKHJOECWIJIP-UHFFFAOYSA-N 2 1 348.495 1.395 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC1C[NH+](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000660281302 453171492 /nfs/dbraw/zinc/17/14/92/453171492.db2.gz FZNOKRABFSENDA-HNNXBMFYSA-N 2 1 330.476 1.636 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666837651 453180949 /nfs/dbraw/zinc/18/09/49/453180949.db2.gz LECPDKDCDYWNAU-OAHLLOKOSA-N 2 1 332.448 1.274 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662471586 453184443 /nfs/dbraw/zinc/18/44/43/453184443.db2.gz JIUGIZXYRNCOBE-BGTYHANMSA-N 2 1 331.460 1.520 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662471586 453184454 /nfs/dbraw/zinc/18/44/54/453184454.db2.gz JIUGIZXYRNCOBE-BGTYHANMSA-N 2 1 331.460 1.520 20 0 EDADMP CC(C)[NH2+]CC(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000662485301 453200695 /nfs/dbraw/zinc/20/06/95/453200695.db2.gz PCPOVOOBDNJFRH-UHFFFAOYSA-N 2 1 334.464 1.249 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(C3)CCCOC4)CC2)CC1 ZINC000655080775 453203146 /nfs/dbraw/zinc/20/31/46/453203146.db2.gz UKNUAVALXYNEQW-UHFFFAOYSA-N 2 1 349.519 1.822 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000646203468 453215460 /nfs/dbraw/zinc/21/54/60/453215460.db2.gz KMFUQVPJJUGFTQ-MAUKXSAKSA-N 2 1 349.475 1.768 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000646203468 453215464 /nfs/dbraw/zinc/21/54/64/453215464.db2.gz KMFUQVPJJUGFTQ-MAUKXSAKSA-N 2 1 349.475 1.768 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2cccc(C[NH+]3CCO[C@@H](C)C3)c2)CC[N@@H+]1C ZINC000648750482 453232649 /nfs/dbraw/zinc/23/26/49/453232649.db2.gz SIMKOWYDUDQINC-FRQCXROJSA-N 2 1 345.487 1.864 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2cccc(C[NH+]3CCO[C@@H](C)C3)c2)CC[N@H+]1C ZINC000648750482 453232657 /nfs/dbraw/zinc/23/26/57/453232657.db2.gz SIMKOWYDUDQINC-FRQCXROJSA-N 2 1 345.487 1.864 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC[NH+]1C ZINC000648750482 453232667 /nfs/dbraw/zinc/23/26/67/453232667.db2.gz SIMKOWYDUDQINC-FRQCXROJSA-N 2 1 345.487 1.864 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC[NH+]1C ZINC000648750482 453232676 /nfs/dbraw/zinc/23/26/76/453232676.db2.gz SIMKOWYDUDQINC-FRQCXROJSA-N 2 1 345.487 1.864 20 0 EDADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC(=O)C1 ZINC000648757758 453240527 /nfs/dbraw/zinc/24/05/27/453240527.db2.gz JBCQIRCPAQKQCV-HNNXBMFYSA-N 2 1 330.432 1.079 20 0 EDADMP [NH3+]CCOCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000646249068 453255047 /nfs/dbraw/zinc/25/50/47/453255047.db2.gz HSDGPBMWAQYZSB-MSOLQXFVSA-N 2 1 331.460 1.475 20 0 EDADMP CC(C)([NH3+])CC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000646251648 453257430 /nfs/dbraw/zinc/25/74/30/453257430.db2.gz VJKLYBLOLGANIR-UHFFFAOYSA-N 2 1 338.883 1.706 20 0 EDADMP [NH3+]C[C@H]1CCCc2ccc(C(=O)NCC[N@H+]3CCCOCC3)cc21 ZINC000662536398 453261235 /nfs/dbraw/zinc/26/12/35/453261235.db2.gz LJSFOWCZVDHLLV-QGZVFWFLSA-N 2 1 331.460 1.517 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000648781103 453263169 /nfs/dbraw/zinc/26/31/69/453263169.db2.gz SAMYDQFREASSDQ-OAHLLOKOSA-N 2 1 336.480 1.966 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000653108311 453291846 /nfs/dbraw/zinc/29/18/46/453291846.db2.gz RVIQYGZENMMGHC-DLBZAZTESA-N 2 1 325.497 1.629 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000653109213 453293970 /nfs/dbraw/zinc/29/39/70/453293970.db2.gz XTDNUWUSMJHYMF-GOSISDBHSA-N 2 1 331.460 1.525 20 0 EDADMP CN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000653111132 453298312 /nfs/dbraw/zinc/29/83/12/453298312.db2.gz FMHRSEHFJYLELV-ZWKOTPCHSA-N 3 1 332.492 1.388 20 0 EDADMP CCN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000653113205 453299039 /nfs/dbraw/zinc/29/90/39/453299039.db2.gz WETFSSWSFCKQEM-NZSAHSFTSA-N 2 1 346.519 1.949 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000653113387 453299487 /nfs/dbraw/zinc/29/94/87/453299487.db2.gz AUBARHFNBPUEOO-HOCLYGCPSA-N 2 1 338.521 1.355 20 0 EDADMP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000653113386 453299635 /nfs/dbraw/zinc/29/96/35/453299635.db2.gz AUBARHFNBPUEOO-GOEBONIOSA-N 2 1 338.521 1.355 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@@H]1c1cccs1 ZINC000653121994 453312476 /nfs/dbraw/zinc/31/24/76/453312476.db2.gz IEOYFMFVLVDGRJ-KKBFJZEXSA-N 2 1 349.500 1.483 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H](N)CC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000653158196 453350991 /nfs/dbraw/zinc/35/09/91/453350991.db2.gz XIJJXWBTUQAQSC-NEWSRXKRSA-N 3 1 346.519 1.682 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655247170 453370143 /nfs/dbraw/zinc/37/01/43/453370143.db2.gz VCYGZHMPFWMYHL-NNXHMXCWSA-N 2 1 325.497 1.577 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655247170 453370151 /nfs/dbraw/zinc/37/01/51/453370151.db2.gz VCYGZHMPFWMYHL-NNXHMXCWSA-N 2 1 325.497 1.577 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(COC)CC3)CC2)CC1 ZINC000655252077 453375864 /nfs/dbraw/zinc/37/58/64/453375864.db2.gz FOGDIRTXOQREFQ-UHFFFAOYSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@@H]1C[N@@H+](CCN2CCC([NH+]3CCOC[C@H]3C)CC2)C[C@H](C)O1 ZINC000660589015 453431075 /nfs/dbraw/zinc/43/10/75/453431075.db2.gz DBRFGENLAXCRQO-ZACQAIPSSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@@H]1C[N@H+](CCN2CCC([NH+]3CCOC[C@H]3C)CC2)C[C@H](C)O1 ZINC000660589015 453431081 /nfs/dbraw/zinc/43/10/81/453431081.db2.gz DBRFGENLAXCRQO-ZACQAIPSSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@@H]1C[NH+](CCN2CCC([N@H+]3CCOC[C@H]3C)CC2)C[C@H](C)O1 ZINC000660589015 453431087 /nfs/dbraw/zinc/43/10/87/453431087.db2.gz DBRFGENLAXCRQO-ZACQAIPSSA-N 2 1 325.497 1.281 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662749921 453482126 /nfs/dbraw/zinc/48/21/26/453482126.db2.gz IKQYPQLUJACAPN-CEXWTWQISA-N 2 1 345.487 1.721 20 0 EDADMP CC[C@H](NC(=O)CC1([NH3+])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662753996 453490246 /nfs/dbraw/zinc/49/02/46/453490246.db2.gz ALPBHUGWVQTJDU-DLBZAZTESA-N 2 1 331.460 1.664 20 0 EDADMP CC[C@H](NC(=O)CC1([NH3+])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662753996 453490251 /nfs/dbraw/zinc/49/02/51/453490251.db2.gz ALPBHUGWVQTJDU-DLBZAZTESA-N 2 1 331.460 1.664 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662791994 453527342 /nfs/dbraw/zinc/52/73/42/453527342.db2.gz UJXHDUJWJURLSC-CQSZACIVSA-N 2 1 349.479 1.111 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000660704542 453530648 /nfs/dbraw/zinc/53/06/48/453530648.db2.gz VGPCXMWPZLXBLC-INIZCTEOSA-N 2 1 338.496 1.415 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@H]1CCCC[NH2+]1 ZINC000646650667 453540084 /nfs/dbraw/zinc/54/00/84/453540084.db2.gz HLNJGIWXOCNOEY-QZTJIDSGSA-N 2 1 331.460 1.536 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@H]1CCCC[NH2+]1 ZINC000646650667 453540090 /nfs/dbraw/zinc/54/00/90/453540090.db2.gz HLNJGIWXOCNOEY-QZTJIDSGSA-N 2 1 331.460 1.536 20 0 EDADMP [NH3+]C1(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CCCCC1 ZINC000662860426 453575247 /nfs/dbraw/zinc/57/52/47/453575247.db2.gz RWLQROLCBPXXFF-QGZVFWFLSA-N 2 1 331.460 1.531 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CCO1 ZINC000662972823 453631097 /nfs/dbraw/zinc/63/10/97/453631097.db2.gz MOARXZZXGJEQGB-CZUORRHYSA-N 2 1 341.402 1.534 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292090 453639261 /nfs/dbraw/zinc/63/92/61/453639261.db2.gz SGHPVHAPSTXGEM-CZUORRHYSA-N 2 1 342.447 1.036 20 0 EDADMP c1nc(N[C@H]2CC[NH+](C3CC3)C2)cnc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000663449336 453801590 /nfs/dbraw/zinc/80/15/90/453801590.db2.gz VSFGAYGGJAFNIY-OKILXGFUSA-N 2 1 328.464 1.774 20 0 EDADMP c1nc(N[C@H]2CC[N@@H+](C3CC3)C2)cnc1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000663449336 453801592 /nfs/dbraw/zinc/80/15/92/453801592.db2.gz VSFGAYGGJAFNIY-OKILXGFUSA-N 2 1 328.464 1.774 20 0 EDADMP c1nc(N[C@H]2CC[N@H+](C3CC3)C2)cnc1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000663449336 453801594 /nfs/dbraw/zinc/80/15/94/453801594.db2.gz VSFGAYGGJAFNIY-OKILXGFUSA-N 2 1 328.464 1.774 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC[C@@H]1C ZINC000676242200 486702862 /nfs/dbraw/zinc/70/28/62/486702862.db2.gz AHCWFMTVLHTHBL-YHUYYLMFSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC[C@@H]1C ZINC000676242200 486702865 /nfs/dbraw/zinc/70/28/65/486702865.db2.gz AHCWFMTVLHTHBL-YHUYYLMFSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@@H+]1CCCC[C@@H]1C ZINC000676242200 486702869 /nfs/dbraw/zinc/70/28/69/486702869.db2.gz AHCWFMTVLHTHBL-YHUYYLMFSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@H+]1CCCC[C@@H]1C ZINC000676242200 486702870 /nfs/dbraw/zinc/70/28/70/486702870.db2.gz AHCWFMTVLHTHBL-YHUYYLMFSA-N 2 1 326.485 1.268 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)Nc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000672217790 486711614 /nfs/dbraw/zinc/71/16/14/486711614.db2.gz RLZLLCUIGSWXLD-ZDUSSCGKSA-N 2 1 337.472 1.382 20 0 EDADMP C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415546035 486750390 /nfs/dbraw/zinc/75/03/90/486750390.db2.gz MIDIPJBJHARHKQ-OAHLLOKOSA-N 2 1 346.475 1.535 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000416915693 486788604 /nfs/dbraw/zinc/78/86/04/486788604.db2.gz GYCZELIGNHUVAU-LJISPDSOSA-N 2 1 326.485 1.443 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000416915693 486788612 /nfs/dbraw/zinc/78/86/12/486788612.db2.gz GYCZELIGNHUVAU-LJISPDSOSA-N 2 1 326.485 1.443 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)C1 ZINC000680489446 486789882 /nfs/dbraw/zinc/78/98/82/486789882.db2.gz UWSULIDHZZUZPB-INIZCTEOSA-N 2 1 345.491 1.000 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)C1 ZINC000680489446 486789887 /nfs/dbraw/zinc/78/98/87/486789887.db2.gz UWSULIDHZZUZPB-INIZCTEOSA-N 2 1 345.491 1.000 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)C1 ZINC000667615499 486881110 /nfs/dbraw/zinc/88/11/10/486881110.db2.gz RIUGGZNTWFKQPU-GOSISDBHSA-N 2 1 340.475 1.479 20 0 EDADMP Cc1c(C[NH+](C)C/C=C\C[N@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000684106531 486947229 /nfs/dbraw/zinc/94/72/29/486947229.db2.gz SAMQZQHVGXYWFQ-FPLPWBNLSA-N 2 1 330.480 1.890 20 0 EDADMP C[C@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CC[N@H+]1CC(C)(C)O ZINC000668031055 487070293 /nfs/dbraw/zinc/07/02/93/487070293.db2.gz KQURHMTXASZUCG-HNNXBMFYSA-N 2 1 329.448 1.544 20 0 EDADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCOC[C@H]1C1CC1 ZINC000677981101 487218081 /nfs/dbraw/zinc/21/80/81/487218081.db2.gz UOMSOTKTJDFXPZ-SFHVURJKSA-N 2 1 335.492 1.432 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)c2ccccc2O1 ZINC000678048356 487234545 /nfs/dbraw/zinc/23/45/45/487234545.db2.gz ODVUASXQJPWRKL-LSDHHAIUSA-N 2 1 349.500 1.780 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)c2ccccc2O1 ZINC000678048356 487234551 /nfs/dbraw/zinc/23/45/51/487234551.db2.gz ODVUASXQJPWRKL-LSDHHAIUSA-N 2 1 349.500 1.780 20 0 EDADMP C[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000678955917 487381839 /nfs/dbraw/zinc/38/18/39/487381839.db2.gz FVXNWUGNMHANRD-QFBILLFUSA-N 2 1 335.467 1.925 20 0 EDADMP C[C@@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000669538389 485520818 /nfs/dbraw/zinc/52/08/18/485520818.db2.gz OOTGWUHVFYAPHE-GDBMZVCRSA-N 2 1 326.485 1.317 20 0 EDADMP C[C@@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538389 485520829 /nfs/dbraw/zinc/52/08/29/485520829.db2.gz OOTGWUHVFYAPHE-GDBMZVCRSA-N 2 1 326.485 1.317 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)NC[C@H](C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000669554264 485553600 /nfs/dbraw/zinc/55/36/00/485553600.db2.gz ZTHNNEORHUOVAC-JCURWCKSSA-N 2 1 332.448 1.619 20 0 EDADMP O=C(NCC1C[NH2+]C1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000669570246 485588473 /nfs/dbraw/zinc/58/84/73/485588473.db2.gz FGMHILVFMDHYIT-MRXNPFEDSA-N 2 1 334.489 1.123 20 0 EDADMP O=C(NCC1C[NH2+]C1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000669570246 485588480 /nfs/dbraw/zinc/58/84/80/485588480.db2.gz FGMHILVFMDHYIT-MRXNPFEDSA-N 2 1 334.489 1.123 20 0 EDADMP C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)C(C)(C)C[NH+](C)C ZINC000669146744 485736909 /nfs/dbraw/zinc/73/69/09/485736909.db2.gz ZCDJDUNZYYUESW-KGLIPLIRSA-N 2 1 340.512 1.068 20 0 EDADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000669405487 486076721 /nfs/dbraw/zinc/07/67/21/486076721.db2.gz BLXRWNNNHXTTBF-IHXNAJNRSA-N 2 1 348.516 1.921 20 0 EDADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000669405487 486076725 /nfs/dbraw/zinc/07/67/25/486076725.db2.gz BLXRWNNNHXTTBF-IHXNAJNRSA-N 2 1 348.516 1.921 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C)[NH+](C)C ZINC000502542239 486130889 /nfs/dbraw/zinc/13/08/89/486130889.db2.gz XXZUSXNNAZFTPL-QILLFSRXSA-N 2 1 347.507 1.792 20 0 EDADMP CC1(C)CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[NH2+]1 ZINC000668750030 486149485 /nfs/dbraw/zinc/14/94/85/486149485.db2.gz LRVNDRVQQGSISJ-UHFFFAOYSA-N 2 1 346.475 1.412 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[C@@H]3[NH3+])C2)cc(OC)c1 ZINC000178841939 486245676 /nfs/dbraw/zinc/24/56/76/486245676.db2.gz AUYOELIHYHCLCN-OLMNPRSZSA-N 2 1 347.459 1.522 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[C@@H]3[NH3+])C2)cc(OC)c1 ZINC000178841939 486245682 /nfs/dbraw/zinc/24/56/82/486245682.db2.gz AUYOELIHYHCLCN-OLMNPRSZSA-N 2 1 347.459 1.522 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC[NH2+]C2CC2)[C@H](C)C1 ZINC000669486301 486252902 /nfs/dbraw/zinc/25/29/02/486252902.db2.gz VQJDRGZBFUAUKX-GDBMZVCRSA-N 2 1 326.485 1.175 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000670406688 486451103 /nfs/dbraw/zinc/45/11/03/486451103.db2.gz AHJSCWSKMBBHGN-MOPGFXCFSA-N 2 1 342.487 1.157 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000670406688 486451106 /nfs/dbraw/zinc/45/11/06/486451106.db2.gz AHJSCWSKMBBHGN-MOPGFXCFSA-N 2 1 342.487 1.157 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000670406688 486451110 /nfs/dbraw/zinc/45/11/10/486451110.db2.gz AHJSCWSKMBBHGN-MOPGFXCFSA-N 2 1 342.487 1.157 20 0 EDADMP C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000128720251 491017730 /nfs/dbraw/zinc/01/77/30/491017730.db2.gz YKCZAFZXIHEYGT-JQHSSLGASA-N 2 1 348.491 1.178 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000236666020 535010502 /nfs/dbraw/zinc/01/05/02/535010502.db2.gz YEVPURVTNHRGOF-BPQIPLTHSA-N 2 1 333.476 1.796 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000246507701 535123105 /nfs/dbraw/zinc/12/31/05/535123105.db2.gz QHXGKCVQVJVUEK-KBAYOESNSA-N 2 1 333.476 1.796 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000262887343 535133531 /nfs/dbraw/zinc/13/35/31/535133531.db2.gz ZRVFUPGICGBLDP-HOTGVXAUSA-N 2 1 333.480 1.515 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000245861799 535170564 /nfs/dbraw/zinc/17/05/64/535170564.db2.gz IUPXORIYAQKFHR-YESZJQIVSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000245861799 535170569 /nfs/dbraw/zinc/17/05/69/535170569.db2.gz IUPXORIYAQKFHR-YESZJQIVSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000245861799 535170573 /nfs/dbraw/zinc/17/05/73/535170573.db2.gz IUPXORIYAQKFHR-YESZJQIVSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cnc4cnccn34)CC2)CC1 ZINC000271226808 535197777 /nfs/dbraw/zinc/19/77/77/535197777.db2.gz RPETUIHRPOISDC-UHFFFAOYSA-N 2 1 342.491 1.720 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnn(C)c3)CC2)CC1 ZINC000066568124 535613702 /nfs/dbraw/zinc/61/37/02/535613702.db2.gz YMOUJDLPNRLFAO-UHFFFAOYSA-N 2 1 333.480 1.186 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262655774 535692281 /nfs/dbraw/zinc/69/22/81/535692281.db2.gz UJUDSFBFKLGULG-IEBWSBKVSA-N 2 1 346.519 1.856 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000263010411 535764583 /nfs/dbraw/zinc/76/45/83/535764583.db2.gz RBTUDZWNCQBTGB-ZDUSSCGKSA-N 2 1 331.338 1.823 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000263010411 535764586 /nfs/dbraw/zinc/76/45/86/535764586.db2.gz RBTUDZWNCQBTGB-ZDUSSCGKSA-N 2 1 331.338 1.823 20 0 EDADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081485159 535772516 /nfs/dbraw/zinc/77/25/16/535772516.db2.gz HSABFAPVWMSTMV-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081485159 535772521 /nfs/dbraw/zinc/77/25/21/535772521.db2.gz HSABFAPVWMSTMV-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081485159 535772522 /nfs/dbraw/zinc/77/25/22/535772522.db2.gz HSABFAPVWMSTMV-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081485159 535772525 /nfs/dbraw/zinc/77/25/25/535772525.db2.gz HSABFAPVWMSTMV-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262048409 535906029 /nfs/dbraw/zinc/90/60/29/535906029.db2.gz ZICKFLPCLXPLPU-AQNXPRMDSA-N 3 1 347.503 1.874 20 0 EDADMP C[NH2+][C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000262438464 536337140 /nfs/dbraw/zinc/33/71/40/536337140.db2.gz UOCKXHXGWIGMSW-QZTJIDSGSA-N 2 1 341.459 1.461 20 0 EDADMP C[NH2+][C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000262438464 536337142 /nfs/dbraw/zinc/33/71/42/536337142.db2.gz UOCKXHXGWIGMSW-QZTJIDSGSA-N 2 1 341.459 1.461 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000237200901 536406807 /nfs/dbraw/zinc/40/68/07/536406807.db2.gz GZRZVOPWTMSVDM-CABCVRRESA-N 2 1 330.432 1.140 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000237058202 536462805 /nfs/dbraw/zinc/46/28/05/536462805.db2.gz PNCFPPKKFUZYKT-ZFWWWQNUSA-N 2 1 335.448 1.250 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000237058202 536462807 /nfs/dbraw/zinc/46/28/07/536462807.db2.gz PNCFPPKKFUZYKT-ZFWWWQNUSA-N 2 1 335.448 1.250 20 0 EDADMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)ccc1OCc1ccccc1 ZINC000262171555 536802325 /nfs/dbraw/zinc/80/23/25/536802325.db2.gz VGLVQVVTQDQTCO-ZWKOTPCHSA-N 2 1 342.439 1.944 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=S)NCCCCN1CC[NH+](C)CC1 ZINC000727074650 578515250 /nfs/dbraw/zinc/51/52/50/578515250.db2.gz MUHQRSACTOTBFZ-UHFFFAOYSA-N 2 1 343.585 1.066 20 0 EDADMP CN1CCC([N@@H+](CCO)Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000729930375 578602850 /nfs/dbraw/zinc/60/28/50/578602850.db2.gz JCEBXAINHNIUAI-UHFFFAOYSA-N 2 1 345.487 1.811 20 0 EDADMP C[NH+]1CCC(N(CCO)Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000729930375 578602851 /nfs/dbraw/zinc/60/28/51/578602851.db2.gz JCEBXAINHNIUAI-UHFFFAOYSA-N 2 1 345.487 1.811 20 0 EDADMP CC[N@H+](CCc1ccccn1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000733996149 578792740 /nfs/dbraw/zinc/79/27/40/578792740.db2.gz QMSUJSMKVKGMNP-UHFFFAOYSA-N 2 1 332.492 1.935 20 0 EDADMP CC[N@@H+](CCc1ccccn1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000733996149 578792742 /nfs/dbraw/zinc/79/27/42/578792742.db2.gz QMSUJSMKVKGMNP-UHFFFAOYSA-N 2 1 332.492 1.935 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000734276088 578804516 /nfs/dbraw/zinc/80/45/16/578804516.db2.gz GTYPCPAZDVGEQS-QGZVFWFLSA-N 2 1 340.512 1.659 20 0 EDADMP CCOCCN1CCN(C(=S)NC[C@H]2CCC[N@H+]2CC)C[C@@H]1C ZINC000735240817 578871125 /nfs/dbraw/zinc/87/11/25/578871125.db2.gz FGKNWXGRDXVAFT-JKSUJKDBSA-N 2 1 342.553 1.388 20 0 EDADMP CCOCC[N@H+]1CCN(C(=S)NC[C@H]2CCC[NH+]2CC)C[C@@H]1C ZINC000735240817 578871129 /nfs/dbraw/zinc/87/11/29/578871129.db2.gz FGKNWXGRDXVAFT-JKSUJKDBSA-N 2 1 342.553 1.388 20 0 EDADMP CCOCC[NH+]1CCN(C(=S)NC[C@H]2CCC[N@@H+]2CC)C[C@@H]1C ZINC000735240817 578871130 /nfs/dbraw/zinc/87/11/30/578871130.db2.gz FGKNWXGRDXVAFT-JKSUJKDBSA-N 2 1 342.553 1.388 20 0 EDADMP CCOCC[NH+]1CCN(C(=S)NC[C@H]2CCC[N@H+]2CC)C[C@@H]1C ZINC000735240817 578871132 /nfs/dbraw/zinc/87/11/32/578871132.db2.gz FGKNWXGRDXVAFT-JKSUJKDBSA-N 2 1 342.553 1.388 20 0 EDADMP C[NH+](C)CCOC1CC[NH+](Cn2cnc(-c3ccccc3)n2)CC1 ZINC000738210448 579172692 /nfs/dbraw/zinc/17/26/92/579172692.db2.gz RZGXUMYQMRURAE-UHFFFAOYSA-N 2 1 329.448 1.945 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000746313370 579586543 /nfs/dbraw/zinc/58/65/43/579586543.db2.gz FTQJDUSLQZYWPL-PMPSAXMXSA-N 2 1 326.485 1.079 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@]1([NH+](C)C)CCSC1 ZINC000748603437 579694864 /nfs/dbraw/zinc/69/48/64/579694864.db2.gz VVBHLZVGKGRSOT-DZGCQCFKSA-N 2 1 330.567 1.372 20 0 EDADMP C[C@@H]([NH2+]CC(=O)NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754467542 579904058 /nfs/dbraw/zinc/90/40/58/579904058.db2.gz NIQOYYQHWPCKPF-HZPDHXFCSA-N 2 1 330.476 1.940 20 0 EDADMP C[C@@H]([NH2+]CC(=O)NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754467542 579904059 /nfs/dbraw/zinc/90/40/59/579904059.db2.gz NIQOYYQHWPCKPF-HZPDHXFCSA-N 2 1 330.476 1.940 20 0 EDADMP COCCS(=O)(=O)CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754466609 579904081 /nfs/dbraw/zinc/90/40/81/579904081.db2.gz XYCGSGVXZXDDMT-JKSUJKDBSA-N 2 1 346.537 1.680 20 0 EDADMP COCCS(=O)(=O)CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754466609 579904082 /nfs/dbraw/zinc/90/40/82/579904082.db2.gz XYCGSGVXZXDDMT-JKSUJKDBSA-N 2 1 346.537 1.680 20 0 EDADMP CC[C@H]1CC(=O)N(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000758251864 579978527 /nfs/dbraw/zinc/97/85/27/579978527.db2.gz FCBWFRBWWVUZHH-KRWDZBQOSA-N 2 1 336.524 1.552 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cn2cnc(-c3ccccn3)n2)C1 ZINC000762497544 580075983 /nfs/dbraw/zinc/07/59/83/580075983.db2.gz IZRWJYHNVCQNSR-INIZCTEOSA-N 2 1 344.463 1.730 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cn2cnc(-c3ccccn3)n2)C1 ZINC000762497544 580075984 /nfs/dbraw/zinc/07/59/84/580075984.db2.gz IZRWJYHNVCQNSR-INIZCTEOSA-N 2 1 344.463 1.730 20 0 EDADMP C[NH+](C)CCNC(=S)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000763299729 580097191 /nfs/dbraw/zinc/09/71/91/580097191.db2.gz WNPRJXYDIZVUIP-CABCVRRESA-N 2 1 342.459 1.736 20 0 EDADMP C[NH+](C)CCNC(=S)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000763299729 580097192 /nfs/dbraw/zinc/09/71/92/580097192.db2.gz WNPRJXYDIZVUIP-CABCVRRESA-N 2 1 342.459 1.736 20 0 EDADMP COc1ccc2c(c1)[nH+]ccc2N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000765520821 580144700 /nfs/dbraw/zinc/14/47/00/580144700.db2.gz URIHBAXOEKXHBR-CQSZACIVSA-N 2 1 331.416 1.373 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](CO)C2CC2)CC1 ZINC000771804742 580294656 /nfs/dbraw/zinc/29/46/56/580294656.db2.gz QNXDMOQVWIZXKP-LJQANCHMSA-N 2 1 345.487 1.390 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000775386978 580389862 /nfs/dbraw/zinc/38/98/62/580389862.db2.gz UZNFWBQBVZZGQA-OWCLPIDISA-N 2 1 329.579 1.983 20 0 EDADMP C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000776637868 580425064 /nfs/dbraw/zinc/42/50/64/580425064.db2.gz HDHISAPHJCSIAO-HQWZXOHUSA-N 2 1 343.471 1.993 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccn(-c3ccccc3)n2)C1 ZINC000779656287 580493721 /nfs/dbraw/zinc/49/37/21/580493721.db2.gz XCNADZVTACBALN-KRWDZBQOSA-N 2 1 343.431 1.980 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccn(-c3ccccc3)n2)C1 ZINC000779656287 580493722 /nfs/dbraw/zinc/49/37/22/580493722.db2.gz XCNADZVTACBALN-KRWDZBQOSA-N 2 1 343.431 1.980 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC000787668235 580701200 /nfs/dbraw/zinc/70/12/00/580701200.db2.gz DVBATGKKJAWREH-KRWDZBQOSA-N 2 1 337.508 1.964 20 0 EDADMP C[NH+](C)Cc1cnc(CNC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)s1 ZINC000796320429 580950886 /nfs/dbraw/zinc/95/08/86/580950886.db2.gz OYTFVALHKJOXPH-CVEARBPZSA-N 2 1 338.521 1.672 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)C[C@@H](C)OC)cc2)CC1 ZINC000796638084 580958660 /nfs/dbraw/zinc/95/86/60/580958660.db2.gz FQKHJCFKDJKRAK-MRXNPFEDSA-N 2 1 348.491 1.734 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)C[C@@H](C)OC)cc2)CC1 ZINC000796638084 580958661 /nfs/dbraw/zinc/95/86/61/580958661.db2.gz FQKHJCFKDJKRAK-MRXNPFEDSA-N 2 1 348.491 1.734 20 0 EDADMP C[NH+](C)CCNC(=S)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798372812 580995637 /nfs/dbraw/zinc/99/56/37/580995637.db2.gz NZPMBTPYIJRZAK-SFHVURJKSA-N 2 1 334.533 1.924 20 0 EDADMP C[N@@H+](CC(=O)N1CCCC2(CC[NH+](C)CC2)C1)[C@@H]1CCSC1 ZINC000799027642 581014561 /nfs/dbraw/zinc/01/45/61/581014561.db2.gz QHAVOFTXKRDSAQ-OAHLLOKOSA-N 2 1 325.522 1.758 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)[NH+]1CCc2ccccc2C1 ZINC000892019894 590750613 /nfs/dbraw/zinc/75/06/13/590750613.db2.gz PVCUPVNKHRQKSN-LZQZEXGQSA-N 2 1 342.487 1.779 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000890878509 590828419 /nfs/dbraw/zinc/82/84/19/590828419.db2.gz CCASGNIXPNGPHP-DLBZAZTESA-N 2 1 349.523 1.502 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NCC[N@H+]2CCC(C)(C)C2)CCSC1 ZINC000893417775 590857726 /nfs/dbraw/zinc/85/77/26/590857726.db2.gz SYRMRKNLDWJXGH-MRXNPFEDSA-N 2 1 328.526 1.455 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000892200395 590861331 /nfs/dbraw/zinc/86/13/31/590861331.db2.gz PLIGPINDJMDOBM-SOLBZPMBSA-N 2 1 348.491 1.621 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000892200395 590861336 /nfs/dbraw/zinc/86/13/36/590861336.db2.gz PLIGPINDJMDOBM-SOLBZPMBSA-N 2 1 348.491 1.621 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000893451084 590879847 /nfs/dbraw/zinc/87/98/47/590879847.db2.gz CMFLSRJZMSHSBR-HZMVEIRTSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)[C@@H](C)C1 ZINC000892406899 591014771 /nfs/dbraw/zinc/01/47/71/591014771.db2.gz RKUHEDKVURELKK-BQFCYCMXSA-N 2 1 348.491 1.043 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000892530590 591060762 /nfs/dbraw/zinc/06/07/62/591060762.db2.gz RVYXFKSFOBHGKH-UYAOXDASSA-N 2 1 342.487 1.964 20 0 EDADMP CC(=O)OC[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000892553179 591069944 /nfs/dbraw/zinc/06/99/44/591069944.db2.gz JUHUWRTTZPRIFL-VQIMIIECSA-N 2 1 333.476 1.906 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891447515 591074947 /nfs/dbraw/zinc/07/49/47/591074947.db2.gz AKOLNYNFQRPAGR-SQNIBIBYSA-N 2 1 328.460 1.654 20 0 EDADMP C[C@@H](CNC(=O)NCc1cc(N)cc[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000891447785 591075169 /nfs/dbraw/zinc/07/51/69/591075169.db2.gz XLLPFMYONRETAK-AWEZNQCLSA-N 2 1 339.443 1.910 20 0 EDADMP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000892606871 591092081 /nfs/dbraw/zinc/09/20/81/591092081.db2.gz LMJFEWACIRENQG-YVSFHVDLSA-N 2 1 336.480 1.023 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891495166 591094127 /nfs/dbraw/zinc/09/41/27/591094127.db2.gz WQRAYFLMEYABPN-LLVKDONJSA-N 2 1 325.482 1.400 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000891521947 591105794 /nfs/dbraw/zinc/10/57/94/591105794.db2.gz FRJIFVOYFQSMIC-IAGOWNOFSA-N 2 1 338.496 1.100 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H](C)C1 ZINC000891563167 591129737 /nfs/dbraw/zinc/12/97/37/591129737.db2.gz ADFSBDUXASQHEH-FPCVCCKLSA-N 2 1 326.485 1.160 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000892685902 591130099 /nfs/dbraw/zinc/13/00/99/591130099.db2.gz DQLAZQMSDWBPFL-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000891579642 591134005 /nfs/dbraw/zinc/13/40/05/591134005.db2.gz HSBKNSFIMGUCKU-MRXNPFEDSA-N 2 1 339.528 1.091 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@H]1c1cccs1 ZINC000891597410 591141905 /nfs/dbraw/zinc/14/19/05/591141905.db2.gz OSLKJMUFBRZLFA-YXWQFLTLSA-N 2 1 334.489 1.887 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CCC1(C)C ZINC000892791094 591177481 /nfs/dbraw/zinc/17/74/81/591177481.db2.gz KFXNXKWVJUUJEV-KRWDZBQOSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000891673337 591179859 /nfs/dbraw/zinc/17/98/59/591179859.db2.gz KNQJEZDJMOSDHA-HFTRVMKXSA-N 2 1 330.476 1.728 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000891686051 591185512 /nfs/dbraw/zinc/18/55/12/591185512.db2.gz YSYWCSHMMLFJBC-HZPDHXFCSA-N 2 1 338.496 1.543 20 0 EDADMP O=C(NCc1ccc(N2CCCC2)nc1)C1CN([C@H]2CCOC2)C1 ZINC000895629505 591235940 /nfs/dbraw/zinc/23/59/40/591235940.db2.gz VDOYLEWQQYTKSA-INIZCTEOSA-N 2 1 330.432 1.019 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000895695525 591256497 /nfs/dbraw/zinc/25/64/97/591256497.db2.gz ZKEGZEGIECLGLQ-INIZCTEOSA-N 2 1 346.475 1.789 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000895695525 591256500 /nfs/dbraw/zinc/25/65/00/591256500.db2.gz ZKEGZEGIECLGLQ-INIZCTEOSA-N 2 1 346.475 1.789 20 0 EDADMP C[C@H]1CSCCCN1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000893021719 591257698 /nfs/dbraw/zinc/25/76/98/591257698.db2.gz GRNRPCPDPCFJLQ-LSDHHAIUSA-N 2 1 340.537 1.692 20 0 EDADMP COc1cnc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc1N[C@H]1CC[NH+](C)[C@H]1C ZINC000895740195 591262346 /nfs/dbraw/zinc/26/23/46/591262346.db2.gz MFSQHTQRRZWEPR-RFQIPJPRSA-N 2 1 334.468 1.494 20 0 EDADMP COc1cnc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc1N[C@H]1CC[N@H+](C)[C@H]1C ZINC000895740195 591262348 /nfs/dbraw/zinc/26/23/48/591262348.db2.gz MFSQHTQRRZWEPR-RFQIPJPRSA-N 2 1 334.468 1.494 20 0 EDADMP COc1cnc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc1N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000895740195 591262350 /nfs/dbraw/zinc/26/23/50/591262350.db2.gz MFSQHTQRRZWEPR-RFQIPJPRSA-N 2 1 334.468 1.494 20 0 EDADMP C[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)nc2ccccc21 ZINC000895768298 591269185 /nfs/dbraw/zinc/26/91/85/591269185.db2.gz BPQUVEYWQCNECU-KBPBESRZSA-N 2 1 326.448 1.862 20 0 EDADMP C[NH+]1CC[C@H]1CNc1nc2ccccc2c(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895768298 591269187 /nfs/dbraw/zinc/26/91/87/591269187.db2.gz BPQUVEYWQCNECU-KBPBESRZSA-N 2 1 326.448 1.862 20 0 EDADMP C[NH+]1CC[C@H]1CNc1nc2ccccc2c(NC[C@@H]2CC[N@H+]2C)n1 ZINC000895768298 591269188 /nfs/dbraw/zinc/26/91/88/591269188.db2.gz BPQUVEYWQCNECU-KBPBESRZSA-N 2 1 326.448 1.862 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC000894447893 591314295 /nfs/dbraw/zinc/31/42/95/591314295.db2.gz ISYOHVGWWWINBC-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC000894447893 591314298 /nfs/dbraw/zinc/31/42/98/591314298.db2.gz ISYOHVGWWWINBC-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000894447893 591314299 /nfs/dbraw/zinc/31/42/99/591314299.db2.gz ISYOHVGWWWINBC-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000896138833 591359319 /nfs/dbraw/zinc/35/93/19/591359319.db2.gz UNJMIFWJBUNJMX-XJKSGUPXSA-N 2 1 335.452 1.017 20 0 EDADMP Cc1[nH+]ccn1Cc1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000896139444 591359364 /nfs/dbraw/zinc/35/93/64/591359364.db2.gz HLGMEXFGSALWNJ-UHFFFAOYSA-N 2 1 328.376 1.625 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000896137568 591359839 /nfs/dbraw/zinc/35/98/39/591359839.db2.gz GLUPPOOXNYGYKF-GUDVDZBRSA-N 2 1 345.487 1.906 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000896137568 591359843 /nfs/dbraw/zinc/35/98/43/591359843.db2.gz GLUPPOOXNYGYKF-GUDVDZBRSA-N 2 1 345.487 1.906 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000896137568 591359848 /nfs/dbraw/zinc/35/98/48/591359848.db2.gz GLUPPOOXNYGYKF-GUDVDZBRSA-N 2 1 345.487 1.906 20 0 EDADMP Cc1[nH+]c2cc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2n1C(CO)CO ZINC000894919396 591474956 /nfs/dbraw/zinc/47/49/56/591474956.db2.gz PPTSJUFCCZLJGE-SWLSCSKDSA-N 2 1 332.448 1.765 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)o1 ZINC000896570308 591530984 /nfs/dbraw/zinc/53/09/84/591530984.db2.gz YNMURTKFWWKCMR-GOEBONIOSA-N 2 1 336.480 1.486 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897548065 591547083 /nfs/dbraw/zinc/54/70/83/591547083.db2.gz RVFXFIWZVWNEHH-INIZCTEOSA-N 2 1 340.512 1.253 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000897553822 591550820 /nfs/dbraw/zinc/55/08/20/591550820.db2.gz BEFVCFANLRDFGC-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000897553822 591550821 /nfs/dbraw/zinc/55/08/21/591550821.db2.gz BEFVCFANLRDFGC-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897553822 591550822 /nfs/dbraw/zinc/55/08/22/591550822.db2.gz BEFVCFANLRDFGC-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897553822 591550823 /nfs/dbraw/zinc/55/08/23/591550823.db2.gz BEFVCFANLRDFGC-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP CCO[C@H](C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+](C)C ZINC000896879951 591645397 /nfs/dbraw/zinc/64/53/97/591645397.db2.gz JIUFVJXFAMYXML-GOEBONIOSA-N 2 1 342.505 1.750 20 0 EDADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000897825199 591684213 /nfs/dbraw/zinc/68/42/13/591684213.db2.gz FWQLFYKDYRSOBP-SZMVWBNQSA-N 2 1 331.460 1.897 20 0 EDADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000895380645 591737530 /nfs/dbraw/zinc/73/75/30/591737530.db2.gz PNWJKBVHLCRMTP-RHSMWYFYSA-N 2 1 339.505 1.886 20 0 EDADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000895380645 591737533 /nfs/dbraw/zinc/73/75/33/591737533.db2.gz PNWJKBVHLCRMTP-RHSMWYFYSA-N 2 1 339.505 1.886 20 0 EDADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000897218108 591772640 /nfs/dbraw/zinc/77/26/40/591772640.db2.gz JVEIYMZAXIXGFU-QAPCUYQASA-N 2 1 345.491 1.980 20 0 EDADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000897218108 591772642 /nfs/dbraw/zinc/77/26/42/591772642.db2.gz JVEIYMZAXIXGFU-QAPCUYQASA-N 2 1 345.491 1.980 20 0 EDADMP C[N@@H+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)[C@H](c2ccccc2)C1 ZINC000895527234 591788740 /nfs/dbraw/zinc/78/87/40/591788740.db2.gz XKIGBCHDPUORTM-IBGZPJMESA-N 2 1 343.471 1.613 20 0 EDADMP C[N@H+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)[C@H](c2ccccc2)C1 ZINC000895527234 591788743 /nfs/dbraw/zinc/78/87/43/591788743.db2.gz XKIGBCHDPUORTM-IBGZPJMESA-N 2 1 343.471 1.613 20 0 EDADMP C[C@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000898120939 591788840 /nfs/dbraw/zinc/78/88/40/591788840.db2.gz DLKZTRFMBNXKNX-OWCLPIDISA-N 2 1 337.508 1.601 20 0 EDADMP c1nc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc(N2CCOCC2)n1 ZINC000895571641 591804357 /nfs/dbraw/zinc/80/43/57/591804357.db2.gz KMNXCMPJNJWGKK-KBPBESRZSA-N 2 1 335.477 1.305 20 0 EDADMP c1nc(N[C@H]2CCCN3CCSC[C@@H]23)cc(N2CCOCC2)n1 ZINC000895571641 591804360 /nfs/dbraw/zinc/80/43/60/591804360.db2.gz KMNXCMPJNJWGKK-KBPBESRZSA-N 2 1 335.477 1.305 20 0 EDADMP O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900050987 591883789 /nfs/dbraw/zinc/88/37/89/591883789.db2.gz KMLBQWQRUOXZQU-SJORKVTESA-N 2 1 344.459 1.551 20 0 EDADMP C[NH+](C)CCNC(=S)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000145485121 591897432 /nfs/dbraw/zinc/89/74/32/591897432.db2.gz ODJONJPVALAVOF-AWEZNQCLSA-N 2 1 340.562 1.986 20 0 EDADMP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000900250032 591959804 /nfs/dbraw/zinc/95/98/04/591959804.db2.gz SBWXRCZCSFKJEJ-PKOBYXMFSA-N 2 1 346.475 1.222 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000900250032 591959807 /nfs/dbraw/zinc/95/98/07/591959807.db2.gz SBWXRCZCSFKJEJ-PKOBYXMFSA-N 2 1 346.475 1.222 20 0 EDADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000900250032 591959810 /nfs/dbraw/zinc/95/98/10/591959810.db2.gz SBWXRCZCSFKJEJ-PKOBYXMFSA-N 2 1 346.475 1.222 20 0 EDADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000900250032 591959812 /nfs/dbraw/zinc/95/98/12/591959812.db2.gz SBWXRCZCSFKJEJ-PKOBYXMFSA-N 2 1 346.475 1.222 20 0 EDADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900387523 591997420 /nfs/dbraw/zinc/99/74/20/591997420.db2.gz ZAIKLCWOYHDCSC-YJBOKZPZSA-N 2 1 328.416 1.252 20 0 EDADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900387523 591997421 /nfs/dbraw/zinc/99/74/21/591997421.db2.gz ZAIKLCWOYHDCSC-YJBOKZPZSA-N 2 1 328.416 1.252 20 0 EDADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@@H]4CNCCOC4)C[C@@H]3C2)cc1 ZINC000902516462 592009173 /nfs/dbraw/zinc/00/91/73/592009173.db2.gz DWNFABDUJZHEIN-MTQWCTHYSA-N 2 1 329.488 1.865 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000900411917 592011084 /nfs/dbraw/zinc/01/10/84/592011084.db2.gz AKDKOTSIEVTMFY-PKOBYXMFSA-N 2 1 337.508 1.602 20 0 EDADMP Cc1ccc([C@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)[NH+]2CCCC2)o1 ZINC000900491744 592032923 /nfs/dbraw/zinc/03/29/23/592032923.db2.gz LQMARGHPDFCPLB-LPHOPBHVSA-N 2 1 349.475 1.688 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)CC1 ZINC000900599172 592064905 /nfs/dbraw/zinc/06/49/05/592064905.db2.gz QHFSTOPYYGFXKH-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)CC1 ZINC000900599172 592064908 /nfs/dbraw/zinc/06/49/08/592064908.db2.gz QHFSTOPYYGFXKH-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)CC1 ZINC000900599172 592064911 /nfs/dbraw/zinc/06/49/11/592064911.db2.gz QHFSTOPYYGFXKH-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC000900673418 592090526 /nfs/dbraw/zinc/09/05/26/592090526.db2.gz FWQACDIBFHCBRI-JQHSSLGASA-N 2 1 334.508 1.288 20 0 EDADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)CC1 ZINC000900673418 592090529 /nfs/dbraw/zinc/09/05/29/592090529.db2.gz FWQACDIBFHCBRI-JQHSSLGASA-N 2 1 334.508 1.288 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)CC1 ZINC000900673418 592090531 /nfs/dbraw/zinc/09/05/31/592090531.db2.gz FWQACDIBFHCBRI-JQHSSLGASA-N 2 1 334.508 1.288 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC000900673418 592090533 /nfs/dbraw/zinc/09/05/33/592090533.db2.gz FWQACDIBFHCBRI-JQHSSLGASA-N 2 1 334.508 1.288 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC000900673418 592090536 /nfs/dbraw/zinc/09/05/36/592090536.db2.gz FWQACDIBFHCBRI-JQHSSLGASA-N 2 1 334.508 1.288 20 0 EDADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCO[C@]23CCOC3)c1 ZINC000903058695 592111211 /nfs/dbraw/zinc/11/12/11/592111211.db2.gz JTTKHOYLPQOUQA-MOPGFXCFSA-N 2 1 332.444 1.556 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCN(C(C)C)CC2)C[C@H]1C ZINC000900801411 592141999 /nfs/dbraw/zinc/14/19/99/592141999.db2.gz QSJQMOHNYGPULK-QZTJIDSGSA-N 2 1 338.540 1.734 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCN(C(C)C)CC2)C[C@H]1C ZINC000900801411 592142003 /nfs/dbraw/zinc/14/20/03/592142003.db2.gz QSJQMOHNYGPULK-QZTJIDSGSA-N 2 1 338.540 1.734 20 0 EDADMP C[C@H](CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)[NH+](C)Cc1ccccc1 ZINC000900922993 592163989 /nfs/dbraw/zinc/16/39/89/592163989.db2.gz RBZQAAFFNMPOPI-SZVBFZGTSA-N 2 1 333.476 1.468 20 0 EDADMP C[C@H](CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C)[N@H+](C)Cc1ccccc1 ZINC000900922993 592163990 /nfs/dbraw/zinc/16/39/90/592163990.db2.gz RBZQAAFFNMPOPI-SZVBFZGTSA-N 2 1 333.476 1.468 20 0 EDADMP C[C@H](CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C)[N@@H+](C)Cc1ccccc1 ZINC000900922993 592163991 /nfs/dbraw/zinc/16/39/91/592163991.db2.gz RBZQAAFFNMPOPI-SZVBFZGTSA-N 2 1 333.476 1.468 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903500197 592180022 /nfs/dbraw/zinc/18/00/22/592180022.db2.gz VITAQQCJRPDPIW-JKIFEVAISA-N 2 1 347.459 1.395 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCCc1ccccc1OC)C2 ZINC000903492431 592184854 /nfs/dbraw/zinc/18/48/54/592184854.db2.gz CTVJRMWTTRUGBB-FCEWJHQRSA-N 2 1 332.444 1.840 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495877 592187892 /nfs/dbraw/zinc/18/78/92/592187892.db2.gz AZGFQZIOJFZPOP-KLHDSHLOSA-N 2 1 347.459 1.248 20 0 EDADMP CCC(CC)NC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510107 592190751 /nfs/dbraw/zinc/19/07/51/592190751.db2.gz ORXIVOSMACLCOO-JCGIZDLHSA-N 2 1 336.524 1.580 20 0 EDADMP O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCCCCC1 ZINC000903513181 592191627 /nfs/dbraw/zinc/19/16/27/592191627.db2.gz WIWYYDZLMQBDTN-HDICACEKSA-N 2 1 334.508 1.290 20 0 EDADMP COCc1noc([C@@H](C)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000903507096 592198922 /nfs/dbraw/zinc/19/89/22/592198922.db2.gz MWARZMIFGONRPL-YUELXQCFSA-N 2 1 335.452 1.178 20 0 EDADMP CCC(CC)CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903561041 592209998 /nfs/dbraw/zinc/20/99/98/592209998.db2.gz DENOAFXOKBCIOP-CALCHBBNSA-N 2 1 343.537 1.653 20 0 EDADMP CCC(CC)CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903561041 592210000 /nfs/dbraw/zinc/21/00/00/592210000.db2.gz DENOAFXOKBCIOP-CALCHBBNSA-N 2 1 343.537 1.653 20 0 EDADMP CC(C)N(C)c1cnn([C@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)c(=O)c1 ZINC000904347792 592235930 /nfs/dbraw/zinc/23/59/30/592235930.db2.gz KHUDCPULXBBGBG-XHSDSOJGSA-N 2 1 333.480 1.462 20 0 EDADMP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000901126794 592242817 /nfs/dbraw/zinc/24/28/17/592242817.db2.gz KOLAUFNPBPBPFZ-IBGZPJMESA-N 2 1 349.475 1.129 20 0 EDADMP O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)C12CC[NH+](CC1)C2 ZINC000901129819 592244145 /nfs/dbraw/zinc/24/41/45/592244145.db2.gz GLJAEAXMLHKJCX-MSOLQXFVSA-N 2 1 343.471 1.081 20 0 EDADMP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)C12CC[NH+](CC1)C2 ZINC000901129822 592244183 /nfs/dbraw/zinc/24/41/83/592244183.db2.gz GLJAEAXMLHKJCX-ZWKOTPCHSA-N 2 1 343.471 1.081 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@@H](N)CCC(C)(C)C)CC1 ZINC000904379764 592246380 /nfs/dbraw/zinc/24/63/80/592246380.db2.gz WHBAXEGROGJMSR-HNNXBMFYSA-N 2 1 326.529 1.720 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906664591 592246963 /nfs/dbraw/zinc/24/69/63/592246963.db2.gz MFGDCUISEGFXES-CZUORRHYSA-N 2 1 344.459 1.514 20 0 EDADMP Cn1cc(C[NH2+]CC2([NH3+])CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000904450560 592263591 /nfs/dbraw/zinc/26/35/91/592263591.db2.gz RNDULYLKIJFFSP-UHFFFAOYSA-N 2 1 328.416 1.829 20 0 EDADMP Cc1ccnc(C2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000904473226 592268744 /nfs/dbraw/zinc/26/87/44/592268744.db2.gz PSBZCYQADVRKQW-INIZCTEOSA-N 2 1 341.463 1.681 20 0 EDADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC000906661232 592269594 /nfs/dbraw/zinc/26/95/94/592269594.db2.gz QFIYTYNYDRJWJP-MRXNPFEDSA-N 2 1 336.524 1.536 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC000906661232 592269599 /nfs/dbraw/zinc/26/95/99/592269599.db2.gz QFIYTYNYDRJWJP-MRXNPFEDSA-N 2 1 336.524 1.536 20 0 EDADMP CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)CS(=O)(=O)CC ZINC000903730801 592287147 /nfs/dbraw/zinc/28/71/47/592287147.db2.gz ZJRXDCFVKWJQNK-HUUCEWRRSA-N 2 1 332.510 1.290 20 0 EDADMP CC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)CS(=O)(=O)CC ZINC000903730801 592287150 /nfs/dbraw/zinc/28/71/50/592287150.db2.gz ZJRXDCFVKWJQNK-HUUCEWRRSA-N 2 1 332.510 1.290 20 0 EDADMP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000903732895 592288296 /nfs/dbraw/zinc/28/82/96/592288296.db2.gz HNVCPDFUUZSEPL-JJXSEGSLSA-N 2 1 330.494 1.043 20 0 EDADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000903732895 592288299 /nfs/dbraw/zinc/28/82/99/592288299.db2.gz HNVCPDFUUZSEPL-JJXSEGSLSA-N 2 1 330.494 1.043 20 0 EDADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000903735247 592299129 /nfs/dbraw/zinc/29/91/29/592299129.db2.gz YVIGITOTZZQZJA-BJLQDIEVSA-N 2 1 343.471 1.882 20 0 EDADMP [NH3+]Cc1ccc2nc(-c3nc([C@H]4C[N@H+]5CCC[C@H]5CO4)no3)cn2c1 ZINC000904636212 592299557 /nfs/dbraw/zinc/29/95/57/592299557.db2.gz BAYCNGHRODSXRO-GXTWGEPZSA-N 2 1 340.387 1.379 20 0 EDADMP c1cc2c(cc1-c1nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no1)OCC[NH2+]C2 ZINC000904638661 592300940 /nfs/dbraw/zinc/30/09/40/592300940.db2.gz QOAZWQAVZNBVKW-ZBFHGGJFSA-N 2 1 342.399 1.754 20 0 EDADMP Cc1nc(CN(C)[C@H]2CC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903741692 592303247 /nfs/dbraw/zinc/30/32/47/592303247.db2.gz RLYIZXSELULUJT-JKSUJKDBSA-N 2 1 349.479 1.043 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)cn2cc[nH+]c12 ZINC000906738019 592304120 /nfs/dbraw/zinc/30/41/20/592304120.db2.gz HBYORLLKNLSQJD-ZDUSSCGKSA-N 2 1 329.404 1.230 20 0 EDADMP COCC(COC)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000903767638 592310177 /nfs/dbraw/zinc/31/01/77/592310177.db2.gz YNSIZZVKOVSXQD-UHFFFAOYSA-N 2 1 336.480 1.718 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000908115134 592328128 /nfs/dbraw/zinc/32/81/28/592328128.db2.gz MMPGPKMQOONUTD-XLAORIBOSA-N 2 1 335.492 1.715 20 0 EDADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903888577 592351793 /nfs/dbraw/zinc/35/17/93/592351793.db2.gz GLYRZQOIXRYYLC-DLBZAZTESA-N 2 1 349.523 1.474 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](C[C@@H](C)O)[C@H](CC)C2)C1 ZINC000906827029 592355082 /nfs/dbraw/zinc/35/50/82/592355082.db2.gz PODXUHRYECUKSG-IXDOHACOSA-N 2 1 325.497 1.412 20 0 EDADMP COCCCOC1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903895853 592367606 /nfs/dbraw/zinc/36/76/06/592367606.db2.gz QRQNNMSOLIKHHZ-OAHLLOKOSA-N 2 1 337.468 1.220 20 0 EDADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903898735 592369307 /nfs/dbraw/zinc/36/93/07/592369307.db2.gz OETCBUBLKZYBRY-JKSUJKDBSA-N 2 1 349.479 1.758 20 0 EDADMP CC(=O)Nc1cccc(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903923668 592379161 /nfs/dbraw/zinc/37/91/61/592379161.db2.gz ZVFWYYOKVXHCLK-INIZCTEOSA-N 2 1 328.420 1.451 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)cnn1C ZINC000903929231 592382862 /nfs/dbraw/zinc/38/28/62/592382862.db2.gz CKTVRSQQCIRRKA-FUHWJXTLSA-N 2 1 347.507 1.323 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1nccc3ccccc31)C2 ZINC000903978222 592399441 /nfs/dbraw/zinc/39/94/41/592399441.db2.gz AVKFJCSXPFQZLH-KHYOSLBOSA-N 2 1 325.412 1.947 20 0 EDADMP CCOc1cc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)ccc1OC ZINC000903979254 592400703 /nfs/dbraw/zinc/40/07/03/592400703.db2.gz ZNOCZNLMOTUZCA-KHYOSLBOSA-N 2 1 348.443 1.806 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)CC1(O)CCCC1 ZINC000905113212 592412813 /nfs/dbraw/zinc/41/28/13/592412813.db2.gz ZUWPHBDQIITUAX-IRXDYDNUSA-N 2 1 326.481 1.276 20 0 EDADMP COCC[C@@H]([NH3+])c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000904102933 592426065 /nfs/dbraw/zinc/42/60/65/592426065.db2.gz ICMQCVPQJRAPKO-CQSZACIVSA-N 2 1 346.435 1.310 20 0 EDADMP COCC[C@@H]([NH3+])c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000904102933 592426067 /nfs/dbraw/zinc/42/60/67/592426067.db2.gz ICMQCVPQJRAPKO-CQSZACIVSA-N 2 1 346.435 1.310 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)CC2(O)CCCCC2)CCCO1 ZINC000905229305 592458824 /nfs/dbraw/zinc/45/88/24/592458824.db2.gz AMFGSLYVRYADGC-IRXDYDNUSA-N 2 1 328.497 1.523 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905339023 592510391 /nfs/dbraw/zinc/51/03/91/592510391.db2.gz MLMOSFLNCBQYKG-OAHLLOKOSA-N 2 1 340.493 1.412 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000907143897 592529617 /nfs/dbraw/zinc/52/96/17/592529617.db2.gz JSQGJRNYASNPOE-INIZCTEOSA-N 2 1 325.497 1.414 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000907143897 592529620 /nfs/dbraw/zinc/52/96/20/592529620.db2.gz JSQGJRNYASNPOE-INIZCTEOSA-N 2 1 325.497 1.414 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000907143897 592529624 /nfs/dbraw/zinc/52/96/24/592529624.db2.gz JSQGJRNYASNPOE-INIZCTEOSA-N 2 1 325.497 1.414 20 0 EDADMP Cc1nc2[nH]ccc2c(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000905700456 592613922 /nfs/dbraw/zinc/61/39/22/592613922.db2.gz LCCDNZOKJRXDRB-GASCZTMLSA-N 2 1 326.448 1.671 20 0 EDADMP Cc1nnc2c3ccccc3c(NCC[NH+]3CCC([NH3+])CC3)nn12 ZINC000905706903 592618352 /nfs/dbraw/zinc/61/83/52/592618352.db2.gz RFYWRJQZINYLAT-UHFFFAOYSA-N 2 1 325.420 1.421 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000909915322 592711618 /nfs/dbraw/zinc/71/16/18/592711618.db2.gz VBQUCFROKQGVPH-AOCRQIFASA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000910268878 592815111 /nfs/dbraw/zinc/81/51/11/592815111.db2.gz YXJQVVJBQVBJAG-JQHSSLGASA-N 2 1 347.507 1.398 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000910268878 592815114 /nfs/dbraw/zinc/81/51/14/592815114.db2.gz YXJQVVJBQVBJAG-JQHSSLGASA-N 2 1 347.507 1.398 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000910268878 592815117 /nfs/dbraw/zinc/81/51/17/592815117.db2.gz YXJQVVJBQVBJAG-JQHSSLGASA-N 2 1 347.507 1.398 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000907880709 592827593 /nfs/dbraw/zinc/82/75/93/592827593.db2.gz BVLHERJCJHMSNH-UHFFFAOYSA-N 2 1 339.443 1.679 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000907952526 592854939 /nfs/dbraw/zinc/85/49/39/592854939.db2.gz FTAQQWBWBSRMHK-PKOBYXMFSA-N 2 1 337.508 1.747 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000907952526 592854942 /nfs/dbraw/zinc/85/49/42/592854942.db2.gz FTAQQWBWBSRMHK-PKOBYXMFSA-N 2 1 337.508 1.747 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000907952526 592854944 /nfs/dbraw/zinc/85/49/44/592854944.db2.gz FTAQQWBWBSRMHK-PKOBYXMFSA-N 2 1 337.508 1.747 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=S)NCCC[NH+](C)C)[C@H](C)C1 ZINC000734386752 592961801 /nfs/dbraw/zinc/96/18/01/592961801.db2.gz UXCTXGLXJNEJFT-HZPDHXFCSA-N 2 1 344.569 1.539 20 0 EDADMP [NH3+]CCCn1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC000911637355 592962448 /nfs/dbraw/zinc/96/24/48/592962448.db2.gz UQVPROKLXDQSPD-UHFFFAOYSA-N 2 1 341.459 1.580 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCOc2ccccc21 ZINC000911664240 592973227 /nfs/dbraw/zinc/97/32/27/592973227.db2.gz KEWGIPPYXDBZBK-MAUKXSAKSA-N 2 1 341.411 1.535 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000911289296 592992530 /nfs/dbraw/zinc/99/25/30/592992530.db2.gz WYQSKENUTAJYEN-UHFFFAOYSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911774421 593002618 /nfs/dbraw/zinc/00/26/18/593002618.db2.gz HWQYFDALIVQSIQ-HKUYNNGSSA-N 2 1 344.503 1.118 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)C1 ZINC000911841148 593021487 /nfs/dbraw/zinc/02/14/87/593021487.db2.gz ZPQHNPHRPJAEJR-GVDBMIGSSA-N 2 1 337.508 1.724 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)C1 ZINC000911841148 593021490 /nfs/dbraw/zinc/02/14/90/593021490.db2.gz ZPQHNPHRPJAEJR-GVDBMIGSSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H](C(=O)N(CCO)C1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000911938936 593039839 /nfs/dbraw/zinc/03/98/39/593039839.db2.gz NTPMMCBCFNSEMG-MRXNPFEDSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@H](C(=O)N(CCO)C1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000911938936 593039841 /nfs/dbraw/zinc/03/98/41/593039841.db2.gz NTPMMCBCFNSEMG-MRXNPFEDSA-N 2 1 345.487 1.348 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000912205644 593071943 /nfs/dbraw/zinc/07/19/43/593071943.db2.gz BNWJBWBZCHYXEV-INIZCTEOSA-N 2 1 342.447 1.859 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000912205644 593071944 /nfs/dbraw/zinc/07/19/44/593071944.db2.gz BNWJBWBZCHYXEV-INIZCTEOSA-N 2 1 342.447 1.859 20 0 EDADMP C[C@H]1CC[N@@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)[C@H]1C ZINC000840027457 593390897 /nfs/dbraw/zinc/39/08/97/593390897.db2.gz WECMPKRWYCRBDQ-UOVPBQLFSA-N 2 1 341.455 1.791 20 0 EDADMP C[C@H]1CC[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)[C@H]1C ZINC000840027457 593390898 /nfs/dbraw/zinc/39/08/98/593390898.db2.gz WECMPKRWYCRBDQ-UOVPBQLFSA-N 2 1 341.455 1.791 20 0 EDADMP C[C@H]1CC[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)[C@H]1C ZINC000840027457 593390900 /nfs/dbraw/zinc/39/09/00/593390900.db2.gz WECMPKRWYCRBDQ-UOVPBQLFSA-N 2 1 341.455 1.791 20 0 EDADMP C[C@H]1CN(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C(=O)[C@@H]1C ZINC000840045688 593413200 /nfs/dbraw/zinc/41/32/00/593413200.db2.gz GEASXIXUNNZGOT-DLBZAZTESA-N 2 1 336.524 1.408 20 0 EDADMP COc1cc2[nH+]ccc(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)c2cc1OC ZINC000840252473 593500250 /nfs/dbraw/zinc/50/02/50/593500250.db2.gz WCLJHHCRWCZCSC-KBPBESRZSA-N 2 1 343.427 1.949 20 0 EDADMP CCn1nc(C)c(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)n1 ZINC000815206942 593620526 /nfs/dbraw/zinc/62/05/26/593620526.db2.gz RKKIRWUQICSKBT-OAHLLOKOSA-N 2 1 336.484 1.095 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000819250719 593746715 /nfs/dbraw/zinc/74/67/15/593746715.db2.gz BXFZSPYJDDKBPG-SQWLQELKSA-N 2 1 341.496 1.867 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000819250719 593746716 /nfs/dbraw/zinc/74/67/16/593746716.db2.gz BXFZSPYJDDKBPG-SQWLQELKSA-N 2 1 341.496 1.867 20 0 EDADMP CCS(=O)(=O)CCNc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000819411493 593753684 /nfs/dbraw/zinc/75/36/84/593753684.db2.gz OOZNXVNTSJBUCO-UHFFFAOYSA-N 2 1 325.478 1.675 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000820068497 593788137 /nfs/dbraw/zinc/78/81/37/593788137.db2.gz MMCPVKTZHPLGOG-DLBZAZTESA-N 3 1 339.528 1.138 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000820068497 593788138 /nfs/dbraw/zinc/78/81/38/593788138.db2.gz MMCPVKTZHPLGOG-DLBZAZTESA-N 3 1 339.528 1.138 20 0 EDADMP CON(CC1CCOCC1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000820080918 593789297 /nfs/dbraw/zinc/78/92/97/593789297.db2.gz OXHGIDKAILNFQM-HNNXBMFYSA-N 2 1 344.500 1.258 20 0 EDADMP CON(CC1CCOCC1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000820080918 593789298 /nfs/dbraw/zinc/78/92/98/593789298.db2.gz OXHGIDKAILNFQM-HNNXBMFYSA-N 2 1 344.500 1.258 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1-c1nn[nH]n1 ZINC000821809116 593945246 /nfs/dbraw/zinc/94/52/46/593945246.db2.gz MGDDVUPOPVVQCW-KBPBESRZSA-N 2 1 328.420 1.592 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1-c1nn[nH]n1 ZINC000821809116 593945247 /nfs/dbraw/zinc/94/52/47/593945247.db2.gz MGDDVUPOPVVQCW-KBPBESRZSA-N 2 1 328.420 1.592 20 0 EDADMP O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000824297882 593979619 /nfs/dbraw/zinc/97/96/19/593979619.db2.gz JKMRSPZZMVJXFS-LSDHHAIUSA-N 2 1 333.432 1.157 20 0 EDADMP CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000824576219 594041238 /nfs/dbraw/zinc/04/12/38/594041238.db2.gz DJDGQVMLVZXJAR-KRWDZBQOSA-N 2 1 335.448 1.900 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)C1 ZINC000823094328 594152487 /nfs/dbraw/zinc/15/24/87/594152487.db2.gz OQWZCMPIBQGEEL-OCCSQVGLSA-N 2 1 335.452 1.225 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC000825850185 594261497 /nfs/dbraw/zinc/26/14/97/594261497.db2.gz OJDUACJWZNCPOG-HYVNUMGLSA-N 2 1 342.447 1.550 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1-c1nn[nH]n1 ZINC000826194111 594371097 /nfs/dbraw/zinc/37/10/97/594371097.db2.gz AXDMGYWOHGACJB-OAHLLOKOSA-N 2 1 342.447 1.793 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1-c1nn[nH]n1 ZINC000826194111 594371100 /nfs/dbraw/zinc/37/11/00/594371100.db2.gz AXDMGYWOHGACJB-OAHLLOKOSA-N 2 1 342.447 1.793 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826330604 594429027 /nfs/dbraw/zinc/42/90/27/594429027.db2.gz AJTAFKDWFRLQGQ-INIZCTEOSA-N 2 1 341.419 1.427 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826330604 594429028 /nfs/dbraw/zinc/42/90/28/594429028.db2.gz AJTAFKDWFRLQGQ-INIZCTEOSA-N 2 1 341.419 1.427 20 0 EDADMP Cc1cccc(CN2CCO[C@H](CNC(=O)[C@H]3CCCCN3C)C2)c1 ZINC000826557688 594525237 /nfs/dbraw/zinc/52/52/37/594525237.db2.gz OGPKGNBQJFYGBF-RTBURBONSA-N 2 1 345.487 1.796 20 0 EDADMP CC[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000831341841 594610828 /nfs/dbraw/zinc/61/08/28/594610828.db2.gz QRBGWCHLKVFCKR-SCTDSRPQSA-N 2 1 349.450 1.484 20 0 EDADMP CC[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000831341841 594610830 /nfs/dbraw/zinc/61/08/30/594610830.db2.gz QRBGWCHLKVFCKR-SCTDSRPQSA-N 2 1 349.450 1.484 20 0 EDADMP COc1ccc(CN2CC[C@@H]2C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000827220529 594654031 /nfs/dbraw/zinc/65/40/31/594654031.db2.gz SMDUPDQRESUNQX-QXAKKESOSA-N 2 1 343.471 1.822 20 0 EDADMP CCO[C@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)C[NH+](C)C ZINC000831730454 594697045 /nfs/dbraw/zinc/69/70/45/594697045.db2.gz CQDDWYHDUVSIDZ-GOSISDBHSA-N 2 1 333.476 1.518 20 0 EDADMP CCO[C@@H](CNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)C[NH+](C)C ZINC000831743165 594698439 /nfs/dbraw/zinc/69/84/39/594698439.db2.gz BRWHXPMOSSQFLG-KRWDZBQOSA-N 2 1 348.491 1.689 20 0 EDADMP [NH3+]CCOc1cccc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000841286659 594881607 /nfs/dbraw/zinc/88/16/07/594881607.db2.gz GYHBTSAFSFHHRO-KRWDZBQOSA-N 2 1 348.447 1.353 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)C2CCC([NH3+])CC2)C1 ZINC000841648447 594930771 /nfs/dbraw/zinc/93/07/71/594930771.db2.gz JOZAPVKZLFHSCM-GPANFISMSA-N 2 1 326.485 1.255 20 0 EDADMP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841791475 594953915 /nfs/dbraw/zinc/95/39/15/594953915.db2.gz XVECNOCLCWUYMI-ZWKOTPCHSA-N 2 1 346.475 1.410 20 0 EDADMP CCC[NH2+][C@H](C)c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000843199312 595031348 /nfs/dbraw/zinc/03/13/48/595031348.db2.gz SLHDDXUURZHSCV-CYBMUJFWSA-N 2 1 330.436 1.944 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCCCCC[NH3+])[C@@H]1c1ccccc1 ZINC000843258729 595055121 /nfs/dbraw/zinc/05/51/21/595055121.db2.gz FBONCBOXKWSEKY-IRXDYDNUSA-N 2 1 346.475 1.183 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+]1CCCCC1 ZINC000837766156 595190705 /nfs/dbraw/zinc/19/07/05/595190705.db2.gz AENMJALMTCPFKJ-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP CCOc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)ccc1OC(=O)CC ZINC000843053279 595275620 /nfs/dbraw/zinc/27/56/20/595275620.db2.gz SOMLGPHGLMIJLU-UHFFFAOYSA-N 2 1 349.475 1.738 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000844165375 595288364 /nfs/dbraw/zinc/28/83/64/595288364.db2.gz FDGHBFNPHRELCJ-CJNGLKHVSA-N 2 1 339.867 1.828 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)C2 ZINC000843110838 595288658 /nfs/dbraw/zinc/28/86/58/595288658.db2.gz BVTNOURBYIWRGP-QFBILLFUSA-N 2 1 329.444 1.673 20 0 EDADMP CCC(CC)[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000844168171 595289424 /nfs/dbraw/zinc/28/94/24/595289424.db2.gz OOQAPRLAAXBVMG-SJORKVTESA-N 2 1 341.496 1.008 20 0 EDADMP CCC(CC)[C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000844168170 595289451 /nfs/dbraw/zinc/28/94/51/595289451.db2.gz OOQAPRLAAXBVMG-IRXDYDNUSA-N 2 1 341.496 1.008 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cn1 ZINC000846672366 595297773 /nfs/dbraw/zinc/29/77/73/595297773.db2.gz GCIWUICLVUDRBC-HOTGVXAUSA-N 2 1 325.416 1.723 20 0 EDADMP CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849521578 595558007 /nfs/dbraw/zinc/55/80/07/595558007.db2.gz SYYGBBPUIDNEOL-DLBZAZTESA-N 2 1 333.480 1.010 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000849552414 595563706 /nfs/dbraw/zinc/56/37/06/595563706.db2.gz FVGFLHOHKUWSGF-IKGGRYGDSA-N 2 1 333.480 1.008 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[C@@H]1CCC[NH+](C)C1 ZINC000849552414 595563709 /nfs/dbraw/zinc/56/37/09/595563709.db2.gz FVGFLHOHKUWSGF-IKGGRYGDSA-N 2 1 333.480 1.008 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[C@@H]1CCC[NH+](C)C1 ZINC000849552414 595563710 /nfs/dbraw/zinc/56/37/10/595563710.db2.gz FVGFLHOHKUWSGF-IKGGRYGDSA-N 2 1 333.480 1.008 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849583362 595581806 /nfs/dbraw/zinc/58/18/06/595581806.db2.gz SVCZKXQGOADOEO-ROUUACIJSA-N 2 1 349.523 1.646 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C2=NO[C@H](C[NH3+])C2)cc1F ZINC000852861804 595582679 /nfs/dbraw/zinc/58/26/79/595582679.db2.gz KAWIOJDQURBQRR-LBPRGKRZSA-N 2 1 331.351 1.040 20 0 EDADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)c1ccccn1 ZINC000853110217 595667244 /nfs/dbraw/zinc/66/72/44/595667244.db2.gz XDGZQWSHJVCEDV-ICSRJNTNSA-N 2 1 341.455 1.862 20 0 EDADMP CCc1nn(C)c(Cl)c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346315 595680169 /nfs/dbraw/zinc/68/01/69/595680169.db2.gz WCFWIUXLJNWFHL-LBPRGKRZSA-N 2 1 343.903 1.638 20 0 EDADMP CCc1nn(C)c(Cl)c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346315 595680171 /nfs/dbraw/zinc/68/01/71/595680171.db2.gz WCFWIUXLJNWFHL-LBPRGKRZSA-N 2 1 343.903 1.638 20 0 EDADMP COc1cncc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000850357465 595816616 /nfs/dbraw/zinc/81/66/16/595816616.db2.gz KMCBVJYAOHQZNG-SFHVURJKSA-N 2 1 327.428 1.947 20 0 EDADMP CCN(C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000853741866 595869246 /nfs/dbraw/zinc/86/92/46/595869246.db2.gz QUJOYURBLHBHJJ-IAGOWNOFSA-N 2 1 338.496 1.365 20 0 EDADMP CCOP(=O)(OCC)[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000851780813 595920908 /nfs/dbraw/zinc/92/09/08/595920908.db2.gz KQYPCNWHLOEKFO-CABCVRRESA-N 2 1 334.397 1.989 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC000851795515 595926816 /nfs/dbraw/zinc/92/68/16/595926816.db2.gz DGWBIOFJKHHVDN-QFBILLFUSA-N 2 1 331.460 1.023 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC000851795515 595926818 /nfs/dbraw/zinc/92/68/18/595926818.db2.gz DGWBIOFJKHHVDN-QFBILLFUSA-N 2 1 331.460 1.023 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC000851795515 595926821 /nfs/dbraw/zinc/92/68/21/595926821.db2.gz DGWBIOFJKHHVDN-QFBILLFUSA-N 2 1 331.460 1.023 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000852002444 596002931 /nfs/dbraw/zinc/00/29/31/596002931.db2.gz CNBGXHKNEYFLIX-OWCLPIDISA-N 2 1 341.496 1.486 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000852002444 596002934 /nfs/dbraw/zinc/00/29/34/596002934.db2.gz CNBGXHKNEYFLIX-OWCLPIDISA-N 2 1 341.496 1.486 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000852002444 596002937 /nfs/dbraw/zinc/00/29/37/596002937.db2.gz CNBGXHKNEYFLIX-OWCLPIDISA-N 2 1 341.496 1.486 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000852002444 596002941 /nfs/dbraw/zinc/00/29/41/596002941.db2.gz CNBGXHKNEYFLIX-OWCLPIDISA-N 2 1 341.496 1.486 20 0 EDADMP COC(=O)Cn1cc(CC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)nn1 ZINC000859212538 596005404 /nfs/dbraw/zinc/00/54/04/596005404.db2.gz PGKAKYJQRJOSAH-UHFFFAOYSA-N 2 1 345.447 1.187 20 0 EDADMP O=C1CC[C@H](C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)O1 ZINC000852040702 596018683 /nfs/dbraw/zinc/01/86/83/596018683.db2.gz LURRIYKIJITTSP-RTBURBONSA-N 2 1 343.471 1.584 20 0 EDADMP O=C1CC[C@H](C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)O1 ZINC000852040702 596018687 /nfs/dbraw/zinc/01/86/87/596018687.db2.gz LURRIYKIJITTSP-RTBURBONSA-N 2 1 343.471 1.584 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCN3CCOCC3)C2)ccn1 ZINC000856591553 596024456 /nfs/dbraw/zinc/02/44/56/596024456.db2.gz NSQPJWLLMKTIHH-IBGZPJMESA-N 2 1 348.491 1.319 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCN3CCOCC3)C2)ccn1 ZINC000856591553 596024460 /nfs/dbraw/zinc/02/44/60/596024460.db2.gz NSQPJWLLMKTIHH-IBGZPJMESA-N 2 1 348.491 1.319 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCN3CCOCC3)C2)ccn1 ZINC000856591553 596024464 /nfs/dbraw/zinc/02/44/64/596024464.db2.gz NSQPJWLLMKTIHH-IBGZPJMESA-N 2 1 348.491 1.319 20 0 EDADMP CN(C[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000852107528 596045589 /nfs/dbraw/zinc/04/55/89/596045589.db2.gz MUNPRFCUDYTCJC-MAUKXSAKSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000852107528 596045592 /nfs/dbraw/zinc/04/55/92/596045592.db2.gz MUNPRFCUDYTCJC-MAUKXSAKSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000852107528 596045594 /nfs/dbraw/zinc/04/55/94/596045594.db2.gz MUNPRFCUDYTCJC-MAUKXSAKSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000852107528 596045597 /nfs/dbraw/zinc/04/55/97/596045597.db2.gz MUNPRFCUDYTCJC-MAUKXSAKSA-N 2 1 341.496 1.632 20 0 EDADMP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCC(=O)N2CC[NH+](C)CC2)n(C)n1 ZINC000852657787 596221334 /nfs/dbraw/zinc/22/13/34/596221334.db2.gz TZAACRKATUEPHH-FUHWJXTLSA-N 2 1 347.507 1.193 20 0 EDADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000866665254 596284150 /nfs/dbraw/zinc/28/41/50/596284150.db2.gz AQDXQVZVRSPJMW-RBUKOAKNSA-N 2 1 344.503 1.716 20 0 EDADMP CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000866684811 596294024 /nfs/dbraw/zinc/29/40/24/596294024.db2.gz UNXVHMHMQFUJFG-UHFFFAOYSA-N 2 1 339.505 1.604 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)c2cnn(CC[NH+](C)C)c2)cn1 ZINC000864891159 596406357 /nfs/dbraw/zinc/40/63/57/596406357.db2.gz GFYCDDZWNICOKF-UHFFFAOYSA-N 2 1 339.403 1.586 20 0 EDADMP CC(C)[NH+]1CCC(CCNS(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000867652058 596480399 /nfs/dbraw/zinc/48/03/99/596480399.db2.gz MAJKCGRNVHRZHB-UHFFFAOYSA-N 2 1 331.526 1.511 20 0 EDADMP Cc1ccccc1CN1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000871280241 596519769 /nfs/dbraw/zinc/51/97/69/596519769.db2.gz FFHLFQSOZHGERG-ZWKOTPCHSA-N 2 1 331.460 1.264 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000871280241 596519771 /nfs/dbraw/zinc/51/97/71/596519771.db2.gz FFHLFQSOZHGERG-ZWKOTPCHSA-N 2 1 331.460 1.264 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000871280241 596519774 /nfs/dbraw/zinc/51/97/74/596519774.db2.gz FFHLFQSOZHGERG-ZWKOTPCHSA-N 2 1 331.460 1.264 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000871280241 596519776 /nfs/dbraw/zinc/51/97/76/596519776.db2.gz FFHLFQSOZHGERG-ZWKOTPCHSA-N 2 1 331.460 1.264 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000871280241 596519779 /nfs/dbraw/zinc/51/97/79/596519779.db2.gz FFHLFQSOZHGERG-ZWKOTPCHSA-N 2 1 331.460 1.264 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000869777688 596629112 /nfs/dbraw/zinc/62/91/12/596629112.db2.gz MGYJIFMMZLICBL-MSOLQXFVSA-N 2 1 345.487 1.470 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000869777688 596629116 /nfs/dbraw/zinc/62/91/16/596629116.db2.gz MGYJIFMMZLICBL-MSOLQXFVSA-N 2 1 345.487 1.470 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000869777688 596629118 /nfs/dbraw/zinc/62/91/18/596629118.db2.gz MGYJIFMMZLICBL-MSOLQXFVSA-N 2 1 345.487 1.470 20 0 EDADMP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000865817918 596696077 /nfs/dbraw/zinc/69/60/77/596696077.db2.gz IYWPRKDJHDLSTE-HZPDHXFCSA-N 2 1 337.489 1.354 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)c2nc[nH]c2C(F)(F)F)C[C@H]1C[NH+](C)C ZINC000870017018 596708972 /nfs/dbraw/zinc/70/89/72/596708972.db2.gz FNZMKLJSZYYUCI-GHMZBOCLSA-N 2 1 347.385 1.240 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)[nH+]c1 ZINC000868273661 596758545 /nfs/dbraw/zinc/75/85/45/596758545.db2.gz VGNDYEICPROTLW-JKSUJKDBSA-N 2 1 331.464 1.928 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)[nH+]c1 ZINC000868273661 596758548 /nfs/dbraw/zinc/75/85/48/596758548.db2.gz VGNDYEICPROTLW-JKSUJKDBSA-N 2 1 331.464 1.928 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])ccc1C ZINC000872143978 596809526 /nfs/dbraw/zinc/80/95/26/596809526.db2.gz SXZVUXZKVJQLMS-MRXNPFEDSA-N 2 1 347.459 1.601 20 0 EDADMP Cn1c(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc(=O)n(C)c1=O ZINC000872156458 596815899 /nfs/dbraw/zinc/81/58/99/596815899.db2.gz JXVFCZKGTBLWTJ-YOEHRIQHSA-N 2 1 348.491 1.204 20 0 EDADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157234 596815924 /nfs/dbraw/zinc/81/59/24/596815924.db2.gz NTYJHFPQLJQQKW-GOEBONIOSA-N 2 1 331.526 1.545 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@H+](C)C(C)(C)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000875704071 596953197 /nfs/dbraw/zinc/95/31/97/596953197.db2.gz MDBNPTDHPWEHNN-OAGGEKHMSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000875704071 596953201 /nfs/dbraw/zinc/95/32/01/596953201.db2.gz MDBNPTDHPWEHNN-OAGGEKHMSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](C)C(C)(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000875704071 596953203 /nfs/dbraw/zinc/95/32/03/596953203.db2.gz MDBNPTDHPWEHNN-OAGGEKHMSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](C)C(C)(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000875704071 596953205 /nfs/dbraw/zinc/95/32/05/596953205.db2.gz MDBNPTDHPWEHNN-OAGGEKHMSA-N 2 1 340.512 1.610 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+](C)C)C1 ZINC000876089549 597085142 /nfs/dbraw/zinc/08/51/42/597085142.db2.gz PIGQWUKMMAJVNZ-QGZVFWFLSA-N 2 1 334.464 1.057 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+](C)C)C1 ZINC000876089549 597085145 /nfs/dbraw/zinc/08/51/45/597085145.db2.gz PIGQWUKMMAJVNZ-QGZVFWFLSA-N 2 1 334.464 1.057 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000874841213 597195137 /nfs/dbraw/zinc/19/51/37/597195137.db2.gz AEYHZMABLVKZEM-ZKXLYKBJSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000874841213 597195138 /nfs/dbraw/zinc/19/51/38/597195138.db2.gz AEYHZMABLVKZEM-ZKXLYKBJSA-N 2 1 337.508 1.815 20 0 EDADMP COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873205826 597227296 /nfs/dbraw/zinc/22/72/96/597227296.db2.gz RRHBEHILSLOQIT-LBPRGKRZSA-N 2 1 326.487 1.874 20 0 EDADMP COc1ccc([C@H]2C[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CCO2)cc1 ZINC000873221465 597231148 /nfs/dbraw/zinc/23/11/48/597231148.db2.gz KYCSCUYIVVANSI-CRAIPNDOSA-N 2 1 347.459 1.266 20 0 EDADMP COc1ccc([C@H]2C[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CCO2)cc1 ZINC000873221465 597231152 /nfs/dbraw/zinc/23/11/52/597231152.db2.gz KYCSCUYIVVANSI-CRAIPNDOSA-N 2 1 347.459 1.266 20 0 EDADMP COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873227062 597234250 /nfs/dbraw/zinc/23/42/50/597234250.db2.gz BUGUWXJCBXKEHP-TZMCWYRMSA-N 2 1 346.349 1.807 20 0 EDADMP COC(=O)COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873227062 597234253 /nfs/dbraw/zinc/23/42/53/597234253.db2.gz BUGUWXJCBXKEHP-TZMCWYRMSA-N 2 1 346.349 1.807 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1ccccc1Cl ZINC000876709158 597297188 /nfs/dbraw/zinc/29/71/88/597297188.db2.gz KRUUFANQVSQDEP-DRZSPHRISA-N 2 1 331.794 1.899 20 0 EDADMP Cn1ncc(C[NH3+])c1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000876716394 597301653 /nfs/dbraw/zinc/30/16/53/597301653.db2.gz XGCCOXJGFSJXNZ-UHFFFAOYSA-N 2 1 345.422 1.366 20 0 EDADMP Cn1ncc(C[NH3+])c1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000876716394 597301656 /nfs/dbraw/zinc/30/16/56/597301656.db2.gz XGCCOXJGFSJXNZ-UHFFFAOYSA-N 2 1 345.422 1.366 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876733702 597312240 /nfs/dbraw/zinc/31/22/40/597312240.db2.gz FPPQTTOYBMKWOW-IDTUSYRASA-N 2 1 325.416 1.748 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000877231882 597471545 /nfs/dbraw/zinc/47/15/45/597471545.db2.gz VYUHAMDTWCMMAB-HKUYNNGSSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000877231882 597471547 /nfs/dbraw/zinc/47/15/47/597471547.db2.gz VYUHAMDTWCMMAB-HKUYNNGSSA-N 2 1 331.460 1.312 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)C1 ZINC000877447715 597516824 /nfs/dbraw/zinc/51/68/24/597516824.db2.gz AGTLYUBYEJBAQM-NJAFHUGGSA-N 2 1 337.508 1.853 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)C1 ZINC000877447715 597516826 /nfs/dbraw/zinc/51/68/26/597516826.db2.gz AGTLYUBYEJBAQM-NJAFHUGGSA-N 2 1 337.508 1.853 20 0 EDADMP [NH3+][C@@H](C[C@@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1)C1CCCC1 ZINC000877451901 597517245 /nfs/dbraw/zinc/51/72/45/597517245.db2.gz MUBQWTFISYRRHJ-BBRMVZONSA-N 2 1 345.491 1.815 20 0 EDADMP CN1C(=O)[C@H]2C[N@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)C[C@H]2C1=O ZINC000877720165 597550909 /nfs/dbraw/zinc/55/09/09/597550909.db2.gz LDBYVUFHSXYYAO-CALCHBBNSA-N 2 1 343.471 1.691 20 0 EDADMP CN1C(=O)[C@H]2C[N@@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)C[C@H]2C1=O ZINC000877720165 597550910 /nfs/dbraw/zinc/55/09/10/597550910.db2.gz LDBYVUFHSXYYAO-CALCHBBNSA-N 2 1 343.471 1.691 20 0 EDADMP CN1C(=O)[C@H]2C[NH+](CC(C)(C)C[N@H+](C)Cc3ccccc3)C[C@H]2C1=O ZINC000877720165 597550911 /nfs/dbraw/zinc/55/09/11/597550911.db2.gz LDBYVUFHSXYYAO-CALCHBBNSA-N 2 1 343.471 1.691 20 0 EDADMP CN1C(=O)[C@H]2C[NH+](CC(C)(C)C[N@@H+](C)Cc3ccccc3)C[C@H]2C1=O ZINC000877720165 597550912 /nfs/dbraw/zinc/55/09/12/597550912.db2.gz LDBYVUFHSXYYAO-CALCHBBNSA-N 2 1 343.471 1.691 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000877974992 597567401 /nfs/dbraw/zinc/56/74/01/597567401.db2.gz AKZPOUGMIGQZQD-UHFFFAOYSA-N 3 1 338.540 1.641 20 0 EDADMP CCCC[N@H+](C)CC1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000877974992 597567402 /nfs/dbraw/zinc/56/74/02/597567402.db2.gz AKZPOUGMIGQZQD-UHFFFAOYSA-N 2 1 338.540 1.641 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000877974992 597567403 /nfs/dbraw/zinc/56/74/03/597567403.db2.gz AKZPOUGMIGQZQD-UHFFFAOYSA-N 2 1 338.540 1.641 20 0 EDADMP CC(C)OC[C@@H](O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000878020618 597569992 /nfs/dbraw/zinc/56/99/92/597569992.db2.gz NYLLBWSKNAQHMN-BZSNNMDCSA-N 2 1 327.513 1.263 20 0 EDADMP C[NH+]1CCC(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000878286061 597592665 /nfs/dbraw/zinc/59/26/65/597592665.db2.gz JYGHUSSRMHIVSL-MAUKXSAKSA-N 2 1 334.508 1.146 20 0 EDADMP O=c1oc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc2o1 ZINC000883014245 597618694 /nfs/dbraw/zinc/61/86/94/597618694.db2.gz MFKNRDWKFMNITP-AWEZNQCLSA-N 2 1 332.400 1.977 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000879571943 597636574 /nfs/dbraw/zinc/63/65/74/597636574.db2.gz UTTQNKZQRULWLB-WDYCEAGBSA-N 2 1 347.459 1.411 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879571943 597636576 /nfs/dbraw/zinc/63/65/76/597636576.db2.gz UTTQNKZQRULWLB-WDYCEAGBSA-N 2 1 347.459 1.411 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879571943 597636579 /nfs/dbraw/zinc/63/65/79/597636579.db2.gz UTTQNKZQRULWLB-WDYCEAGBSA-N 2 1 347.459 1.411 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879571943 597636582 /nfs/dbraw/zinc/63/65/82/597636582.db2.gz UTTQNKZQRULWLB-WDYCEAGBSA-N 2 1 347.459 1.411 20 0 EDADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)N[C@@H](CO)C[NH+]3CCCC3)c2)C1 ZINC000879990689 597799653 /nfs/dbraw/zinc/79/96/53/597799653.db2.gz FTDGSOGKVJSMGP-RBUKOAKNSA-N 2 1 345.487 1.682 20 0 EDADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CC[C@H]1CCNC1=O)C2 ZINC000880022395 597812868 /nfs/dbraw/zinc/81/28/68/597812868.db2.gz PXMRCTVGCKGTRL-WSTZPKSXSA-N 2 1 327.472 1.967 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000883584952 597813438 /nfs/dbraw/zinc/81/34/38/597813438.db2.gz AZVJLULOGSZLFG-KRWDZBQOSA-N 2 1 331.464 1.691 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883584980 597813571 /nfs/dbraw/zinc/81/35/71/597813571.db2.gz BWCVXSOQIOLLED-YOEHRIQHSA-N 2 1 331.464 1.782 20 0 EDADMP [NH3+][C@H]1CCCN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883586938 597815288 /nfs/dbraw/zinc/81/52/88/597815288.db2.gz VXWKANQGZRHBLU-MAUKXSAKSA-N 2 1 343.475 1.926 20 0 EDADMP COCC[N@@H+](CC(=O)Nc1c(C)n[nH]c1C)CC1CC[NH+](C)CC1 ZINC000879121435 597825600 /nfs/dbraw/zinc/82/56/00/597825600.db2.gz ASIUDVHAWBQEOM-UHFFFAOYSA-N 2 1 337.468 1.255 20 0 EDADMP COCC[N@H+](CC(=O)Nc1c(C)n[nH]c1C)CC1CC[NH+](C)CC1 ZINC000879121435 597825602 /nfs/dbraw/zinc/82/56/02/597825602.db2.gz ASIUDVHAWBQEOM-UHFFFAOYSA-N 2 1 337.468 1.255 20 0 EDADMP COCC[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C)CC1CC[NH+](C)CC1 ZINC000879122341 597825695 /nfs/dbraw/zinc/82/56/95/597825695.db2.gz LURVUFROOHWKQS-AEFFLSMTSA-N 2 1 339.524 1.972 20 0 EDADMP C[NH2+]CCOc1ccccc1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000884180387 598017039 /nfs/dbraw/zinc/01/70/39/598017039.db2.gz WZSKFMXFMNVNKG-INIZCTEOSA-N 2 1 349.475 1.371 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)[NH+]1CCOCC1 ZINC000884184414 598018041 /nfs/dbraw/zinc/01/80/41/598018041.db2.gz PNHMDRVNWZDFLW-HOTGVXAUSA-N 2 1 325.497 1.485 20 0 EDADMP COCC[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC000884430495 598103067 /nfs/dbraw/zinc/10/30/67/598103067.db2.gz RLZNZXNHVDWAAM-QZTJIDSGSA-N 2 1 333.476 1.719 20 0 EDADMP COCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC000884430495 598103068 /nfs/dbraw/zinc/10/30/68/598103068.db2.gz RLZNZXNHVDWAAM-QZTJIDSGSA-N 2 1 333.476 1.719 20 0 EDADMP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000914078716 695074501 /nfs/dbraw/zinc/07/45/01/695074501.db2.gz RZINGUAJVJMCLJ-IRXDYDNUSA-N 2 1 341.521 1.362 20 0 EDADMP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1cscn1 ZINC000939815665 699974708 /nfs/dbraw/zinc/97/47/08/699974708.db2.gz KLYNDRAUQHHTHM-HOCLYGCPSA-N 2 1 336.505 1.956 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC4CC4)[C@@H]3C2)no1 ZINC000992738138 695259928 /nfs/dbraw/zinc/25/99/28/695259928.db2.gz HUCSDKBXEQRNKV-USXIJHARSA-N 2 1 346.475 1.977 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000914384205 695381630 /nfs/dbraw/zinc/38/16/30/695381630.db2.gz PCOUAGVYLFPZID-GOSISDBHSA-N 2 1 330.476 1.902 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@H]2C1 ZINC000992917128 695452920 /nfs/dbraw/zinc/45/29/20/695452920.db2.gz KQZYBADMINNBEX-BHYGNILZSA-N 2 1 343.431 1.596 20 0 EDADMP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000914444347 695549190 /nfs/dbraw/zinc/54/91/90/695549190.db2.gz TVDRZOGALQPXHV-RYRKJORJSA-N 2 1 325.497 1.555 20 0 EDADMP C[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCSC1 ZINC000153359689 695654174 /nfs/dbraw/zinc/65/41/74/695654174.db2.gz TZINJBJKGICWOI-KRWDZBQOSA-N 2 1 348.516 1.814 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000915135006 695747415 /nfs/dbraw/zinc/74/74/15/695747415.db2.gz BFWBINZBWFNABQ-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000915135006 695747416 /nfs/dbraw/zinc/74/74/16/695747416.db2.gz BFWBINZBWFNABQ-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000915135006 695747420 /nfs/dbraw/zinc/74/74/20/695747420.db2.gz BFWBINZBWFNABQ-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993505243 696184358 /nfs/dbraw/zinc/18/43/58/696184358.db2.gz UBNVHILIPFOBFG-PBHICJAKSA-N 2 1 330.432 1.872 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)ncn1 ZINC000993758470 696351573 /nfs/dbraw/zinc/35/15/73/696351573.db2.gz JARLZRNVCJWLJJ-CRAIPNDOSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)ncn1 ZINC000993758470 696351576 /nfs/dbraw/zinc/35/15/76/696351576.db2.gz JARLZRNVCJWLJJ-CRAIPNDOSA-N 2 1 345.491 1.596 20 0 EDADMP C[C@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1CCn1cccn1 ZINC000993929364 696448570 /nfs/dbraw/zinc/44/85/70/696448570.db2.gz PKWMLAAXRJWBPW-FUHWJXTLSA-N 2 1 347.507 1.584 20 0 EDADMP C[C@H]1[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CCC[N@H+]1CCCO ZINC000993987061 696482788 /nfs/dbraw/zinc/48/27/88/696482788.db2.gz LLJLUFRLTZDGBN-MAUKXSAKSA-N 2 1 333.476 1.713 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000916182268 696634798 /nfs/dbraw/zinc/63/47/98/696634798.db2.gz OFPQJGVCUUCRIR-CVEARBPZSA-N 2 1 329.510 1.217 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000916182268 696634800 /nfs/dbraw/zinc/63/48/00/696634800.db2.gz OFPQJGVCUUCRIR-CVEARBPZSA-N 2 1 329.510 1.217 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000916182268 696634802 /nfs/dbraw/zinc/63/48/02/696634802.db2.gz OFPQJGVCUUCRIR-CVEARBPZSA-N 2 1 329.510 1.217 20 0 EDADMP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1CC1CCOCC1 ZINC000994261103 696674424 /nfs/dbraw/zinc/67/44/24/696674424.db2.gz YWUJVXSDJKDPID-DOTOQJQBSA-N 2 1 335.492 1.478 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000940008004 700109477 /nfs/dbraw/zinc/10/94/77/700109477.db2.gz DEKFLUMKXIEXSO-HNNXBMFYSA-N 2 1 348.495 1.424 20 0 EDADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000917007781 696874853 /nfs/dbraw/zinc/87/48/53/696874853.db2.gz SGODCPSACOEAPU-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)C[C@@H]1CN(C)CCN1C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000917007781 696874856 /nfs/dbraw/zinc/87/48/56/696874856.db2.gz SGODCPSACOEAPU-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP Cc1noc(CCC[N@@H+]2CCC[C@H](NC(=O)Cn3ccnc3)[C@H]2C)n1 ZINC000994504221 696941733 /nfs/dbraw/zinc/94/17/33/696941733.db2.gz HHDTYXGFNWWCCI-HIFRSBDPSA-N 2 1 346.435 1.176 20 0 EDADMP Cc1noc(CCCN2CCC[C@H](NC(=O)Cn3ccnc3)[C@H]2C)n1 ZINC000994504221 696941735 /nfs/dbraw/zinc/94/17/35/696941735.db2.gz HHDTYXGFNWWCCI-HIFRSBDPSA-N 2 1 346.435 1.176 20 0 EDADMP C[C@H](CNC(=S)NCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000917596254 697044353 /nfs/dbraw/zinc/04/43/53/697044353.db2.gz QKARYCKPKJZGFA-OAHLLOKOSA-N 2 1 328.526 1.047 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](CCC[C@H]3CCOC3)C2)c1 ZINC001031434104 697097085 /nfs/dbraw/zinc/09/70/85/697097085.db2.gz WJYMORRBWWQFTG-INIZCTEOSA-N 2 1 345.487 1.979 20 0 EDADMP CCOCCOCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000930044680 697223987 /nfs/dbraw/zinc/22/39/87/697223987.db2.gz HTUXSUZDAUKZNI-UHFFFAOYSA-N 2 1 327.513 1.530 20 0 EDADMP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C)s1 ZINC001031593561 697292370 /nfs/dbraw/zinc/29/23/70/697292370.db2.gz DBFHUMRBDWFREZ-MRXNPFEDSA-N 2 1 337.489 1.244 20 0 EDADMP C[C@H](O)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040847168 697322251 /nfs/dbraw/zinc/32/22/51/697322251.db2.gz JEABHBBIWFRMHW-INIZCTEOSA-N 2 1 337.508 1.414 20 0 EDADMP C[C@@H](CNS(=O)(=O)[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000923599656 697406551 /nfs/dbraw/zinc/40/65/51/697406551.db2.gz YJCBCVJUXKMNQP-YOEHRIQHSA-N 2 1 337.489 1.105 20 0 EDADMP C[C@@H](CNS(=O)(=O)[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000923599656 697406553 /nfs/dbraw/zinc/40/65/53/697406553.db2.gz YJCBCVJUXKMNQP-YOEHRIQHSA-N 2 1 337.489 1.105 20 0 EDADMP CCOC1CC(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001031665843 697446561 /nfs/dbraw/zinc/44/65/61/697446561.db2.gz JAXHZQPWMCFBGU-VJFUWPCTSA-N 2 1 337.508 1.722 20 0 EDADMP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC001031675103 697484628 /nfs/dbraw/zinc/48/46/28/697484628.db2.gz VJDREFRCIZUHPO-INIZCTEOSA-N 2 1 334.489 1.341 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccc2F)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688278 697520287 /nfs/dbraw/zinc/52/02/87/697520287.db2.gz CFFLLVRALMRSFT-AEFFLSMTSA-N 2 1 347.434 1.237 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccc2F)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688278 697520289 /nfs/dbraw/zinc/52/02/89/697520289.db2.gz CFFLLVRALMRSFT-AEFFLSMTSA-N 2 1 347.434 1.237 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCO[C@H]3CC3(F)F)C2)CC[N@@H+]1C ZINC001031687041 697522927 /nfs/dbraw/zinc/52/29/27/697522927.db2.gz YAKWYLUBSNNTMK-ZNMIVQPWSA-N 2 1 345.434 1.189 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCO[C@H]3CC3(F)F)C2)CC[N@H+]1C ZINC001031687041 697522928 /nfs/dbraw/zinc/52/29/28/697522928.db2.gz YAKWYLUBSNNTMK-ZNMIVQPWSA-N 2 1 345.434 1.189 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000921435924 697611726 /nfs/dbraw/zinc/61/17/26/697611726.db2.gz KPXPYGOLYKCFID-XYPHTWIQSA-N 2 1 336.480 1.022 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000921435924 697611727 /nfs/dbraw/zinc/61/17/27/697611727.db2.gz KPXPYGOLYKCFID-XYPHTWIQSA-N 2 1 336.480 1.022 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000921435924 697611728 /nfs/dbraw/zinc/61/17/28/697611728.db2.gz KPXPYGOLYKCFID-XYPHTWIQSA-N 2 1 336.480 1.022 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940108507 700220649 /nfs/dbraw/zinc/22/06/49/700220649.db2.gz FGEKJVJDPSQYRC-KRWDZBQOSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000940114844 700229645 /nfs/dbraw/zinc/22/96/45/700229645.db2.gz BYGJSJWCSKWGCH-OAHLLOKOSA-N 2 1 347.463 1.191 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccccn3)C2)CC1 ZINC001032095308 698650496 /nfs/dbraw/zinc/65/04/96/698650496.db2.gz VSMBJBUHGXIIJA-UHFFFAOYSA-N 2 1 330.476 1.750 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000940117056 700249441 /nfs/dbraw/zinc/24/94/41/700249441.db2.gz PNYKKGOYKVCYIP-ZIAGYGMSSA-N 2 1 349.479 1.443 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000940117056 700249443 /nfs/dbraw/zinc/24/94/43/700249443.db2.gz PNYKKGOYKVCYIP-ZIAGYGMSSA-N 2 1 349.479 1.443 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2nnc(C)s2)C1 ZINC000995041771 700258555 /nfs/dbraw/zinc/25/85/55/700258555.db2.gz YWUZPLYHTBLDSM-UONOGXRCSA-N 2 1 348.476 1.426 20 0 EDADMP Cc1ncc(C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)s1 ZINC001031764558 699053302 /nfs/dbraw/zinc/05/33/02/699053302.db2.gz ILBYAPBWLVTVOL-UHFFFAOYSA-N 2 1 348.516 1.876 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C3C[NH+](C(C)C)C3)CC2)C1 ZINC000941532466 701572877 /nfs/dbraw/zinc/57/28/77/701572877.db2.gz XJPNOSNVGSPXPD-QGZVFWFLSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCN(C3C[NH+](CCC4CC4)C3)CC2)CC[N@H+]1C ZINC000941533854 701573603 /nfs/dbraw/zinc/57/36/03/701573603.db2.gz IVASMAZWLNZDJE-WMZOPIPTSA-N 2 1 348.535 1.345 20 0 EDADMP CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941603752 701593605 /nfs/dbraw/zinc/59/36/05/701593605.db2.gz NZMITYSBXXFTOV-HKUYNNGSSA-N 2 1 348.535 1.632 20 0 EDADMP CCc1nocc1CN[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@@H]1C ZINC000939622897 699760052 /nfs/dbraw/zinc/76/00/52/699760052.db2.gz PFWHODDCOINMJJ-MEDUHNTESA-N 2 1 331.420 1.448 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000939753906 699903926 /nfs/dbraw/zinc/90/39/26/699903926.db2.gz JLOPMLSPPVACTI-PXAZEXFGSA-N 2 1 343.431 1.694 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nnc(C2CC2)s1 ZINC000939755553 699906795 /nfs/dbraw/zinc/90/67/95/699906795.db2.gz QWJZNSZGHZEUHA-TZMCWYRMSA-N 2 1 349.504 1.448 20 0 EDADMP CCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)o1 ZINC000939757244 699923925 /nfs/dbraw/zinc/92/39/25/699923925.db2.gz XMUGPJLEAQUPOF-DOMZBBRYSA-N 2 1 345.447 1.687 20 0 EDADMP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1nncs1 ZINC000939812279 699960149 /nfs/dbraw/zinc/96/01/49/699960149.db2.gz WFZQVHFHKQEGHQ-KBPBESRZSA-N 2 1 337.493 1.351 20 0 EDADMP CCn1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)nn1 ZINC000939812239 699960160 /nfs/dbraw/zinc/96/01/60/699960160.db2.gz VRRYEFSAMGMFSJ-DOTOQJQBSA-N 2 1 348.495 1.111 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1 ZINC000940141880 700269671 /nfs/dbraw/zinc/26/96/71/700269671.db2.gz JOHZTWCDKMYOPX-QGZVFWFLSA-N 2 1 347.507 1.765 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3cnon3)CC2)C1 ZINC000940147905 700280011 /nfs/dbraw/zinc/28/00/11/700280011.db2.gz JDNHBYODAARISP-OAHLLOKOSA-N 2 1 349.479 1.518 20 0 EDADMP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000940153866 700283391 /nfs/dbraw/zinc/28/33/91/700283391.db2.gz CDWVQIXHLZHGNL-UHFFFAOYSA-N 2 1 334.464 1.938 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000940153905 700283764 /nfs/dbraw/zinc/28/37/64/700283764.db2.gz FSAWECRRQNDORJ-UHFFFAOYSA-N 2 1 349.479 1.587 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000940153905 700283767 /nfs/dbraw/zinc/28/37/67/700283767.db2.gz FSAWECRRQNDORJ-UHFFFAOYSA-N 2 1 349.479 1.587 20 0 EDADMP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000940178593 700312066 /nfs/dbraw/zinc/31/20/66/700312066.db2.gz IRSMOEKSJGEQPP-QGZVFWFLSA-N 2 1 345.491 1.740 20 0 EDADMP CCn1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)nn1 ZINC000940179467 700313474 /nfs/dbraw/zinc/31/34/74/700313474.db2.gz VFAYPSWXADSIJY-MRXNPFEDSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2nnc(C)s2)CC1 ZINC000940214213 700353665 /nfs/dbraw/zinc/35/36/65/700353665.db2.gz BELPQVZZNUKGNQ-UHFFFAOYSA-N 2 1 348.476 1.522 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000940214420 700354037 /nfs/dbraw/zinc/35/40/37/700354037.db2.gz LYQLVGXSUUYLDL-INIZCTEOSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000940214312 700354387 /nfs/dbraw/zinc/35/43/87/700354387.db2.gz GVXKXKGDXMPDCJ-UHFFFAOYSA-N 2 1 344.463 1.404 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)oc1C ZINC000940328358 700506534 /nfs/dbraw/zinc/50/65/34/700506534.db2.gz HPEZQEIZFDDRLS-CJNGLKHVSA-N 2 1 348.491 1.960 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940329769 700509564 /nfs/dbraw/zinc/50/95/64/700509564.db2.gz YQBYBAZKNFISHD-OAHLLOKOSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000940426487 700620110 /nfs/dbraw/zinc/62/01/10/700620110.db2.gz SNJBXIVJWJVKDP-OAHLLOKOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000940461762 700664760 /nfs/dbraw/zinc/66/47/60/700664760.db2.gz JPTPBTOGVQFYEG-VQIMIIECSA-N 2 1 346.475 1.589 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000940461941 700665665 /nfs/dbraw/zinc/66/56/65/700665665.db2.gz SJDSWKSAWNDAGO-UHFFFAOYSA-N 2 1 335.452 1.199 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOC)CC1(C)C ZINC000940785072 700895784 /nfs/dbraw/zinc/89/57/84/700895784.db2.gz GXQDCVHTGZPBRY-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCOC)CC1(C)C ZINC000940785072 700895786 /nfs/dbraw/zinc/89/57/86/700895786.db2.gz GXQDCVHTGZPBRY-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCOC)CC1(C)C ZINC000940785072 700895788 /nfs/dbraw/zinc/89/57/88/700895788.db2.gz GXQDCVHTGZPBRY-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867610 700948603 /nfs/dbraw/zinc/94/86/03/700948603.db2.gz GAIDYDMZBINYJW-BBRMVZONSA-N 2 1 330.432 1.545 20 0 EDADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896114 700972767 /nfs/dbraw/zinc/97/27/67/700972767.db2.gz TXOSFSWMLBHXMO-IUODEOHRSA-N 2 1 343.431 1.038 20 0 EDADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896114 700972768 /nfs/dbraw/zinc/97/27/68/700972768.db2.gz TXOSFSWMLBHXMO-IUODEOHRSA-N 2 1 343.431 1.038 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccccn3)C2)C1 ZINC001031918333 701031117 /nfs/dbraw/zinc/03/11/17/701031117.db2.gz GASLTRUNCXIORF-KRWDZBQOSA-N 2 1 330.476 1.752 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccccn3)C2)C1 ZINC001031918333 701031119 /nfs/dbraw/zinc/03/11/19/701031119.db2.gz GASLTRUNCXIORF-KRWDZBQOSA-N 2 1 330.476 1.752 20 0 EDADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2cnnn2C)CC1(C)C ZINC000941033756 701076691 /nfs/dbraw/zinc/07/66/91/701076691.db2.gz UMKHUKSRNNOKBP-HOCLYGCPSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2cnnn2C)CC1(C)C ZINC000941033756 701076694 /nfs/dbraw/zinc/07/66/94/701076694.db2.gz UMKHUKSRNNOKBP-HOCLYGCPSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)CC1(C)C ZINC000941033756 701076698 /nfs/dbraw/zinc/07/66/98/701076698.db2.gz UMKHUKSRNNOKBP-HOCLYGCPSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)CC1(C)C ZINC000941033756 701076700 /nfs/dbraw/zinc/07/67/00/701076700.db2.gz UMKHUKSRNNOKBP-HOCLYGCPSA-N 2 1 348.495 1.016 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](CCF)CC2(C)C)cn1 ZINC000941091439 701134668 /nfs/dbraw/zinc/13/46/68/701134668.db2.gz UBPGKPUUUQWHQE-HNNXBMFYSA-N 2 1 339.459 1.245 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCF)CC2(C)C)cn1 ZINC000941091439 701134670 /nfs/dbraw/zinc/13/46/70/701134670.db2.gz UBPGKPUUUQWHQE-HNNXBMFYSA-N 2 1 339.459 1.245 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCO)CC1(C)C ZINC000941157459 701221195 /nfs/dbraw/zinc/22/11/95/701221195.db2.gz CJDKLQXKERURRW-IAGOWNOFSA-N 2 1 339.524 1.850 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000941157459 701221196 /nfs/dbraw/zinc/22/11/96/701221196.db2.gz CJDKLQXKERURRW-IAGOWNOFSA-N 2 1 339.524 1.850 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941157459 701221198 /nfs/dbraw/zinc/22/11/98/701221198.db2.gz CJDKLQXKERURRW-IAGOWNOFSA-N 2 1 339.524 1.850 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941163734 701228686 /nfs/dbraw/zinc/22/86/86/701228686.db2.gz PJOQDOFMRCYTIF-WBVHZDCISA-N 2 1 347.507 1.479 20 0 EDADMP Cn1cc(C[NH+]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C(C)(C)C2)cn1 ZINC000941163734 701228690 /nfs/dbraw/zinc/22/86/90/701228690.db2.gz PJOQDOFMRCYTIF-WBVHZDCISA-N 2 1 347.507 1.479 20 0 EDADMP Cn1cc(C[NH+]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)cn1 ZINC000941163734 701228692 /nfs/dbraw/zinc/22/86/92/701228692.db2.gz PJOQDOFMRCYTIF-WBVHZDCISA-N 2 1 347.507 1.479 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)cn1 ZINC000941165689 701376738 /nfs/dbraw/zinc/37/67/38/701376738.db2.gz AQXKTQSWOOFTEV-MRXNPFEDSA-N 2 1 345.491 1.233 20 0 EDADMP CCn1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941217886 701398181 /nfs/dbraw/zinc/39/81/81/701398181.db2.gz UHMAVSURDAPTRL-RDJZCZTQSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941217886 701398182 /nfs/dbraw/zinc/39/81/82/701398182.db2.gz UHMAVSURDAPTRL-RDJZCZTQSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC000941217886 701398183 /nfs/dbraw/zinc/39/81/83/701398183.db2.gz UHMAVSURDAPTRL-RDJZCZTQSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC000941217886 701398184 /nfs/dbraw/zinc/39/81/84/701398184.db2.gz UHMAVSURDAPTRL-RDJZCZTQSA-N 2 1 347.507 1.571 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC001032196820 701709160 /nfs/dbraw/zinc/70/91/60/701709160.db2.gz CEQHKYBHEVWIRN-UKRRQHHQSA-N 2 1 345.434 1.191 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC001032196820 701709161 /nfs/dbraw/zinc/70/91/61/701709161.db2.gz CEQHKYBHEVWIRN-UKRRQHHQSA-N 2 1 345.434 1.191 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3cccc(C)c3)C2)C1 ZINC001032197807 701745617 /nfs/dbraw/zinc/74/56/17/701745617.db2.gz WRYCGOQQXOPWLD-VQIMIIECSA-N 2 1 345.487 1.825 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3cccc(C)c3)C2)C1 ZINC001032197807 701745624 /nfs/dbraw/zinc/74/56/24/701745624.db2.gz WRYCGOQQXOPWLD-VQIMIIECSA-N 2 1 345.487 1.825 20 0 EDADMP Cc1ccccc1OCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976480 701962258 /nfs/dbraw/zinc/96/22/58/701962258.db2.gz MTFMUGOILIEPNZ-FUHWJXTLSA-N 2 1 345.487 1.620 20 0 EDADMP C[C@@H](CC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C)n1ccnc1 ZINC000944022147 701973597 /nfs/dbraw/zinc/97/35/97/701973597.db2.gz KADXFLUFWYUCSI-ARFHVFGLSA-N 2 1 347.463 1.036 20 0 EDADMP C[C@@H](CC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C)n1ccnc1 ZINC000944022147 701973603 /nfs/dbraw/zinc/97/36/03/701973603.db2.gz KADXFLUFWYUCSI-ARFHVFGLSA-N 2 1 347.463 1.036 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2N(C)C)C1 ZINC001031977817 702038126 /nfs/dbraw/zinc/03/81/26/702038126.db2.gz JCUJPCDKMPSDLZ-CRAIPNDOSA-N 2 1 344.503 1.498 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000995802063 702045868 /nfs/dbraw/zinc/04/58/68/702045868.db2.gz NFFDIMLDSDNRTH-HOTGVXAUSA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000995802063 702045877 /nfs/dbraw/zinc/04/58/77/702045877.db2.gz NFFDIMLDSDNRTH-HOTGVXAUSA-N 2 1 348.495 1.015 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995806607 702052817 /nfs/dbraw/zinc/05/28/17/702052817.db2.gz XRXKFJKHSUYVAV-HOTGVXAUSA-N 2 1 349.479 1.577 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995806607 702052827 /nfs/dbraw/zinc/05/28/27/702052827.db2.gz XRXKFJKHSUYVAV-HOTGVXAUSA-N 2 1 349.479 1.577 20 0 EDADMP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)o1 ZINC000995822456 702092435 /nfs/dbraw/zinc/09/24/35/702092435.db2.gz BXALZWABRGNUIX-FVQBIDKESA-N 2 1 348.491 1.904 20 0 EDADMP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)o1 ZINC000995822456 702092441 /nfs/dbraw/zinc/09/24/41/702092441.db2.gz BXALZWABRGNUIX-FVQBIDKESA-N 2 1 348.491 1.904 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995824795 702095977 /nfs/dbraw/zinc/09/59/77/702095977.db2.gz KUQXSRNJYULKMH-BMFZPTHFSA-N 2 1 334.464 1.650 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)o1 ZINC000995831633 702107198 /nfs/dbraw/zinc/10/71/98/702107198.db2.gz KRLMBAYPOSJJQX-WQVCFCJDSA-N 2 1 334.464 1.650 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2(C)C)co1 ZINC000995817873 702134074 /nfs/dbraw/zinc/13/40/74/702134074.db2.gz ATKVVWDELLSOLJ-SJORKVTESA-N 2 1 346.475 1.651 20 0 EDADMP CC1(C)CN(C(=O)CCc2cnc[nH]2)C[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000995879077 702186145 /nfs/dbraw/zinc/18/61/45/702186145.db2.gz BJTRBYBJBKUKPX-HOCLYGCPSA-N 2 1 334.464 1.596 20 0 EDADMP C[C@H]([NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C)c1ncccn1 ZINC000995889579 702230200 /nfs/dbraw/zinc/23/02/00/702230200.db2.gz WWCXMDQXNDEIGD-GJZGRUSLSA-N 2 1 345.491 1.849 20 0 EDADMP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995920215 702241537 /nfs/dbraw/zinc/24/15/37/702241537.db2.gz TZIJQLWQENEBBD-MRXNPFEDSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995911879 702269160 /nfs/dbraw/zinc/26/91/60/702269160.db2.gz BHCPEONDRZIUFQ-GDBMZVCRSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995911879 702269166 /nfs/dbraw/zinc/26/91/66/702269166.db2.gz BHCPEONDRZIUFQ-GDBMZVCRSA-N 2 1 349.479 1.579 20 0 EDADMP C[N@H+](CC(=O)N1C[C@@H]([NH2+]Cc2cscn2)C(C)(C)C1)C1CCC1 ZINC000995914008 702273596 /nfs/dbraw/zinc/27/35/96/702273596.db2.gz CQJVZTDMMDEQDE-OAHLLOKOSA-N 2 1 336.505 1.954 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]Cc2cscn2)C(C)(C)C1)C1CCC1 ZINC000995914008 702273598 /nfs/dbraw/zinc/27/35/98/702273598.db2.gz CQJVZTDMMDEQDE-OAHLLOKOSA-N 2 1 336.505 1.954 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC001032186538 702275083 /nfs/dbraw/zinc/27/50/83/702275083.db2.gz QLQXICLZROMMMN-OAHLLOKOSA-N 2 1 329.435 1.812 20 0 EDADMP CCc1cccc(OCC[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032186819 702284827 /nfs/dbraw/zinc/28/48/27/702284827.db2.gz XNYGNHNECPMFIW-GOSISDBHSA-N 2 1 345.487 1.628 20 0 EDADMP CO[C@H](Cc1ccccc1)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186308 702322873 /nfs/dbraw/zinc/32/28/73/702322873.db2.gz NEZZVFURCLRZHP-RBUKOAKNSA-N 2 1 345.487 1.244 20 0 EDADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186306 702323609 /nfs/dbraw/zinc/32/36/09/702323609.db2.gz NEZZVFURCLRZHP-MOPGFXCFSA-N 2 1 345.487 1.244 20 0 EDADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@@H]([NH2+]CC3CC3)C2)n[nH]1 ZINC000999212420 706665424 /nfs/dbraw/zinc/66/54/24/706665424.db2.gz ZLXJHDSRBXBMAN-RHSMWYFYSA-N 2 1 331.464 1.781 20 0 EDADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@@H]([NH2+]CC3CC3)C2)n[nH]1 ZINC000999212420 706665426 /nfs/dbraw/zinc/66/54/26/706665426.db2.gz ZLXJHDSRBXBMAN-RHSMWYFYSA-N 2 1 331.464 1.781 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)cn1 ZINC000944168262 702407839 /nfs/dbraw/zinc/40/78/39/702407839.db2.gz IHWIHQNYPQRGEL-YOEHRIQHSA-N 2 1 343.475 1.207 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995195177 702422541 /nfs/dbraw/zinc/42/25/41/702422541.db2.gz ISJICTHCYZWGNM-YOEHRIQHSA-N 2 1 345.422 1.800 20 0 EDADMP Cc1cncc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)c1 ZINC000944155767 702449576 /nfs/dbraw/zinc/44/95/76/702449576.db2.gz QANVCRSRBVUOCS-FUHWJXTLSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CC[C@H]2CCOC2)C(C)(C)C1 ZINC000996040511 702455876 /nfs/dbraw/zinc/45/58/76/702455876.db2.gz BQJDQWLVMPMOOC-HOTGVXAUSA-N 2 1 334.464 1.445 20 0 EDADMP Cc1noc(C)c1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995199295 702481085 /nfs/dbraw/zinc/48/10/85/702481085.db2.gz PIOLGSJXGRWDSZ-HOTGVXAUSA-N 2 1 345.447 1.871 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cnon3)C(C)(C)C2)C1 ZINC000996189621 702594907 /nfs/dbraw/zinc/59/49/07/702594907.db2.gz JFDUCZHJUMJGPZ-GOEBONIOSA-N 2 1 349.479 1.518 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cnon3)C(C)(C)C2)C1 ZINC000996189621 702594911 /nfs/dbraw/zinc/59/49/11/702594911.db2.gz JFDUCZHJUMJGPZ-GOEBONIOSA-N 2 1 349.479 1.518 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3cncs3)C(C)(C)C2)C1 ZINC000996302773 702694825 /nfs/dbraw/zinc/69/48/25/702694825.db2.gz ZGEKPYFXXQTAIB-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942258934 702768783 /nfs/dbraw/zinc/76/87/83/702768783.db2.gz QUARPUGWJYEGIJ-GOEBONIOSA-N 2 1 346.475 1.938 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996476322 702808163 /nfs/dbraw/zinc/80/81/63/702808163.db2.gz FYUYGYISUANAPR-NVXWUHKLSA-N 2 1 343.475 1.432 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)s1 ZINC000996519148 702854930 /nfs/dbraw/zinc/85/49/30/702854930.db2.gz JBAGMILRELLJQD-CYBMUJFWSA-N 2 1 349.504 1.269 20 0 EDADMP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996519691 702855644 /nfs/dbraw/zinc/85/56/44/702855644.db2.gz QFZZUHOQUGXBBN-JKSUJKDBSA-N 2 1 347.507 1.571 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996614379 702919851 /nfs/dbraw/zinc/91/98/51/702919851.db2.gz MYEZXRYRISXIJJ-ZBFHGGJFSA-N 2 1 333.480 1.007 20 0 EDADMP Cc1ccnc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996615686 702922912 /nfs/dbraw/zinc/92/29/12/702922912.db2.gz QFLMUMJPAOIBHS-HUUCEWRRSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996615686 702922913 /nfs/dbraw/zinc/92/29/13/702922913.db2.gz QFLMUMJPAOIBHS-HUUCEWRRSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996615686 702922915 /nfs/dbraw/zinc/92/29/15/702922915.db2.gz QFLMUMJPAOIBHS-HUUCEWRRSA-N 2 1 331.464 1.063 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996647462 702949183 /nfs/dbraw/zinc/94/91/83/702949183.db2.gz YAKCFOMXFSCXFG-OAHLLOKOSA-N 2 1 337.493 1.493 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996647462 702949185 /nfs/dbraw/zinc/94/91/85/702949185.db2.gz YAKCFOMXFSCXFG-OAHLLOKOSA-N 2 1 337.493 1.493 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000996664639 702960146 /nfs/dbraw/zinc/96/01/46/702960146.db2.gz GVUSGYKIGCPFCH-UHFFFAOYSA-N 2 1 348.495 1.171 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)n1 ZINC000996664583 702966858 /nfs/dbraw/zinc/96/68/58/702966858.db2.gz KQIXZILNSGVKIT-GFCCVEGCSA-N 2 1 335.452 1.504 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)co1 ZINC000996674866 702970041 /nfs/dbraw/zinc/97/00/41/702970041.db2.gz DDSLEENITJDTFT-MRXNPFEDSA-N 2 1 343.431 1.838 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996677532 702976400 /nfs/dbraw/zinc/97/64/00/702976400.db2.gz KQTDSSYWNXJIFU-MRXNPFEDSA-N 2 1 342.447 1.238 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCc1ccccc1 ZINC001032315827 702980433 /nfs/dbraw/zinc/98/04/33/702980433.db2.gz XQXHTHPJEAZMBK-GBESFXJTSA-N 2 1 327.472 1.999 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1)c1ncccn1 ZINC000996688214 702985556 /nfs/dbraw/zinc/98/55/56/702985556.db2.gz GRXLFYJQFUZSBS-NVXWUHKLSA-N 2 1 345.491 1.993 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cnccc2C)C[C@@H]1C ZINC000942517593 703011137 /nfs/dbraw/zinc/01/11/37/703011137.db2.gz BZFKPQQBCOXFFF-YJBOKZPZSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cnccc2C)C[C@@H]1C ZINC000942517593 703011140 /nfs/dbraw/zinc/01/11/40/703011140.db2.gz BZFKPQQBCOXFFF-YJBOKZPZSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000996721796 703016894 /nfs/dbraw/zinc/01/68/94/703016894.db2.gz HMMINXMPELRMAL-SWLSCSKDSA-N 2 1 335.452 1.504 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000996721796 703016896 /nfs/dbraw/zinc/01/68/96/703016896.db2.gz HMMINXMPELRMAL-SWLSCSKDSA-N 2 1 335.452 1.504 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC000942529210 703029832 /nfs/dbraw/zinc/02/98/32/703029832.db2.gz HCWDCOBYPQUONF-CRAIPNDOSA-N 2 1 333.476 1.223 20 0 EDADMP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684911 706716484 /nfs/dbraw/zinc/71/64/84/706716484.db2.gz YRSUFOXQKBUXPV-WBAXXEDZSA-N 2 1 331.460 1.682 20 0 EDADMP CC(C)N1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000996801206 703087307 /nfs/dbraw/zinc/08/73/07/703087307.db2.gz FBXMPBUXUWJOCG-WWDZGPRUSA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)[NH+]1CCN(C2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996801206 703087308 /nfs/dbraw/zinc/08/73/08/703087308.db2.gz FBXMPBUXUWJOCG-WWDZGPRUSA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)[NH+]1CCN(C2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000996801206 703087309 /nfs/dbraw/zinc/08/73/09/703087309.db2.gz FBXMPBUXUWJOCG-WWDZGPRUSA-N 2 1 336.524 1.392 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2oc(C)nc2C)CC1 ZINC000996801952 703088031 /nfs/dbraw/zinc/08/80/31/703088031.db2.gz NMVOLLOAMHXPMB-UHFFFAOYSA-N 2 1 331.420 1.577 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC000996803235 703093502 /nfs/dbraw/zinc/09/35/02/703093502.db2.gz UITSJHKVHWHASJ-CVEARBPZSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000996804098 703094404 /nfs/dbraw/zinc/09/44/04/703094404.db2.gz ZYMOOJVGOFBUDF-UHFFFAOYSA-N 2 1 333.461 1.471 20 0 EDADMP CCn1ccc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000942596725 703111465 /nfs/dbraw/zinc/11/14/65/703111465.db2.gz FFUWXUTVTKYHQZ-YJBOKZPZSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000942596725 703111466 /nfs/dbraw/zinc/11/14/66/703111466.db2.gz FFUWXUTVTKYHQZ-YJBOKZPZSA-N 2 1 347.507 1.571 20 0 EDADMP C[C@H]1C[N@@H+](CCOC2CCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597132 703111890 /nfs/dbraw/zinc/11/18/90/703111890.db2.gz JBMPFYGWAUPPPI-MAUKXSAKSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000942597967 703112743 /nfs/dbraw/zinc/11/27/43/703112743.db2.gz PAEDXGDCGWNMTB-CXAGYDPISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)nn1C ZINC000942598494 703113841 /nfs/dbraw/zinc/11/38/41/703113841.db2.gz YGUVYELKQDFUFG-KDOFPFPSSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)nn1C ZINC000942598494 703113842 /nfs/dbraw/zinc/11/38/42/703113842.db2.gz YGUVYELKQDFUFG-KDOFPFPSSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC000996923635 703186293 /nfs/dbraw/zinc/18/62/93/703186293.db2.gz UULDPUQZISJCKW-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC000996923635 703186296 /nfs/dbraw/zinc/18/62/96/703186296.db2.gz UULDPUQZISJCKW-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3cccnc3)CC2)C1 ZINC000996933901 703203098 /nfs/dbraw/zinc/20/30/98/703203098.db2.gz YQYSRVFWOADUBV-GOSISDBHSA-N 2 1 346.475 1.271 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3cccnc3)CC2)C1 ZINC000996933901 703203100 /nfs/dbraw/zinc/20/31/00/703203100.db2.gz YQYSRVFWOADUBV-GOSISDBHSA-N 2 1 346.475 1.271 20 0 EDADMP Cc1nonc1CN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000996981456 703236195 /nfs/dbraw/zinc/23/61/95/703236195.db2.gz VPYRMPLNUXTZIC-MLGOLLRUSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1nonc1CN1CCC([C@@H](C)NC(=O)[C@H]2CCCN2C)CC1 ZINC000996981456 703236199 /nfs/dbraw/zinc/23/61/99/703236199.db2.gz VPYRMPLNUXTZIC-MLGOLLRUSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000996994851 703251391 /nfs/dbraw/zinc/25/13/91/703251391.db2.gz KSZUAVREXCPJAI-CQSZACIVSA-N 2 1 333.480 1.293 20 0 EDADMP CCc1noc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000996998536 703255598 /nfs/dbraw/zinc/25/55/98/703255598.db2.gz KLPKXPUUTMSTBK-KGLIPLIRSA-N 2 1 349.479 1.758 20 0 EDADMP CCc1noc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000996998536 703255599 /nfs/dbraw/zinc/25/55/99/703255599.db2.gz KLPKXPUUTMSTBK-KGLIPLIRSA-N 2 1 349.479 1.758 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)[nH]1 ZINC000997002657 703259245 /nfs/dbraw/zinc/25/92/45/703259245.db2.gz XTFUGQCOCLBWIT-UONOGXRCSA-N 2 1 348.495 1.493 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3ccccn3)CC2)C1 ZINC000997004616 703261610 /nfs/dbraw/zinc/26/16/10/703261610.db2.gz FOGWHRAMMLGEMC-UHFFFAOYSA-N 2 1 330.476 1.894 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)[nH]1 ZINC000997005676 703263133 /nfs/dbraw/zinc/26/31/33/703263133.db2.gz IXEXQHKUBVSIPR-OLZOCXBDSA-N 2 1 334.468 1.097 20 0 EDADMP Cc1ccnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997011373 703271569 /nfs/dbraw/zinc/27/15/69/703271569.db2.gz VHNZOIKFKCFIME-CJNGLKHVSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)sn1 ZINC000997012695 703272698 /nfs/dbraw/zinc/27/26/98/703272698.db2.gz YFKLZSVSIDAOPU-LRDDRELGSA-N 2 1 336.505 1.730 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000997092269 703338819 /nfs/dbraw/zinc/33/88/19/703338819.db2.gz CBZLGIXOZBOGPM-UHFFFAOYSA-N 2 1 337.489 1.551 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(Cc2nccn2C)CC1 ZINC000997100694 703346455 /nfs/dbraw/zinc/34/64/55/703346455.db2.gz OCIRYXXYCBBEBH-BFYDXBDKSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997100694 703346457 /nfs/dbraw/zinc/34/64/57/703346457.db2.gz OCIRYXXYCBBEBH-BFYDXBDKSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997100694 703346459 /nfs/dbraw/zinc/34/64/59/703346459.db2.gz OCIRYXXYCBBEBH-BFYDXBDKSA-N 2 1 347.507 1.477 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC000997183533 703468945 /nfs/dbraw/zinc/46/89/45/703468945.db2.gz KKBZUBNAHRZCJK-WBVHZDCISA-N 2 1 337.508 1.724 20 0 EDADMP CCOC1CC(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000997186962 703476173 /nfs/dbraw/zinc/47/61/73/703476173.db2.gz UUWOGZXPUOMTRQ-KLHKWILBSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cnc(Cl)s3)CC2)C1 ZINC000997300469 703544039 /nfs/dbraw/zinc/54/40/39/703544039.db2.gz VNRADWVBPBPXTE-LLVKDONJSA-N 2 1 342.896 1.829 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)sn1 ZINC000997298998 703556732 /nfs/dbraw/zinc/55/67/32/703556732.db2.gz MEAJZEQUISAUSZ-GFCCVEGCSA-N 2 1 338.477 1.184 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cc(F)cc(F)c3)CC2)C1 ZINC000997299576 703557234 /nfs/dbraw/zinc/55/72/34/703557234.db2.gz PSNRMXNPNOUAOA-AWEZNQCLSA-N 2 1 337.414 1.997 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3cncc(C)c3)CC2)C1 ZINC000997335330 703562958 /nfs/dbraw/zinc/56/29/58/703562958.db2.gz KPXRYBBIHXWSON-GOSISDBHSA-N 2 1 346.475 1.191 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3cncc(C)c3)CC2)C1 ZINC000997335330 703562959 /nfs/dbraw/zinc/56/29/59/703562959.db2.gz KPXRYBBIHXWSON-GOSISDBHSA-N 2 1 346.475 1.191 20 0 EDADMP Cc1ncsc1CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997304918 703564326 /nfs/dbraw/zinc/56/43/26/703564326.db2.gz XYROAVDGPRUMGT-AWEZNQCLSA-N 2 1 336.505 1.526 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)cc1 ZINC000997310679 703567486 /nfs/dbraw/zinc/56/74/86/703567486.db2.gz RXLBTRZQWOUSKM-UHFFFAOYSA-N 2 1 342.443 1.981 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000997366828 703600840 /nfs/dbraw/zinc/60/08/40/703600840.db2.gz NHXUZNZVPKKHGA-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)o1 ZINC000997368713 703608174 /nfs/dbraw/zinc/60/81/74/703608174.db2.gz UACIOKYEWGEWKI-HNNXBMFYSA-N 2 1 349.479 1.587 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)o1 ZINC000997368713 703608175 /nfs/dbraw/zinc/60/81/75/703608175.db2.gz UACIOKYEWGEWKI-HNNXBMFYSA-N 2 1 349.479 1.587 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCC2)CC1 ZINC001032705826 706756299 /nfs/dbraw/zinc/75/62/99/706756299.db2.gz MIYAEODIGUPPEN-ROUUACIJSA-N 2 1 349.519 1.963 20 0 EDADMP CCn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2([NH+](C)C)CCC2)cn1 ZINC001032443060 703619412 /nfs/dbraw/zinc/61/94/12/703619412.db2.gz KQYVHOLPAADOOT-IRXDYDNUSA-N 2 1 345.491 1.215 20 0 EDADMP CCn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2([NH+](C)C)CCC2)cn1 ZINC001032443060 703619414 /nfs/dbraw/zinc/61/94/14/703619414.db2.gz KQYVHOLPAADOOT-IRXDYDNUSA-N 2 1 345.491 1.215 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CC(C)(C)CO1)[NH+](C)C ZINC001032459791 703639545 /nfs/dbraw/zinc/63/95/45/703639545.db2.gz NJWLGCKMTPYMND-QAETUUGQSA-N 2 1 337.508 1.673 20 0 EDADMP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997422231 703670843 /nfs/dbraw/zinc/67/08/43/703670843.db2.gz TYQVVZQDSPJCIN-KDOFPFPSSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997515912 703763678 /nfs/dbraw/zinc/76/36/78/703763678.db2.gz PIDVQMUHEMKZJI-YOEHRIQHSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997514603 703764484 /nfs/dbraw/zinc/76/44/84/703764484.db2.gz HHHDGPFSZDWHGC-WMLDXEAASA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997514603 703764486 /nfs/dbraw/zinc/76/44/86/703764486.db2.gz HHHDGPFSZDWHGC-WMLDXEAASA-N 2 1 333.480 1.231 20 0 EDADMP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1)OC ZINC001004209340 703951743 /nfs/dbraw/zinc/95/17/43/703951743.db2.gz SQVKCURSGIQGCN-DLBZAZTESA-N 2 1 325.497 1.866 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC3=CCCCC3)CC2)C1 ZINC000997644138 703951704 /nfs/dbraw/zinc/95/17/04/703951704.db2.gz DWCNIQBRIYSFEM-GOSISDBHSA-N 2 1 335.492 1.646 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC3=CCCCC3)CC2)C1 ZINC000997644138 703951706 /nfs/dbraw/zinc/95/17/06/703951706.db2.gz DWCNIQBRIYSFEM-GOSISDBHSA-N 2 1 335.492 1.646 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995552154 703958708 /nfs/dbraw/zinc/95/87/08/703958708.db2.gz PXUKJPAJWRKCQN-CVEARBPZSA-N 2 1 346.475 1.511 20 0 EDADMP CC(C)n1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)nn1 ZINC000995554452 703970388 /nfs/dbraw/zinc/97/03/88/703970388.db2.gz WYVOZCCYYOEVRG-JKSUJKDBSA-N 2 1 348.495 1.280 20 0 EDADMP CC(C)n1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)nn1 ZINC000995554452 703970390 /nfs/dbraw/zinc/97/03/90/703970390.db2.gz WYVOZCCYYOEVRG-JKSUJKDBSA-N 2 1 348.495 1.280 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCOC1 ZINC001032524199 703982012 /nfs/dbraw/zinc/98/20/12/703982012.db2.gz XRUIYSZDIXAXAK-PMPSAXMXSA-N 2 1 344.459 1.084 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032524199 703982017 /nfs/dbraw/zinc/98/20/17/703982017.db2.gz XRUIYSZDIXAXAK-PMPSAXMXSA-N 2 1 344.459 1.084 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC001033082286 704138602 /nfs/dbraw/zinc/13/86/02/704138602.db2.gz PWAGDONWIZQPNS-QZTJIDSGSA-N 2 1 343.475 1.160 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC001033082286 704138604 /nfs/dbraw/zinc/13/86/04/704138604.db2.gz PWAGDONWIZQPNS-QZTJIDSGSA-N 2 1 343.475 1.160 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082206 704138752 /nfs/dbraw/zinc/13/87/52/704138752.db2.gz PBJWNBGKPTXKJM-HZPDHXFCSA-N 2 1 348.516 1.826 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccccn3)C2)C1 ZINC000999294727 706792430 /nfs/dbraw/zinc/79/24/30/706792430.db2.gz DWROTXIRQFGCMQ-ABHNRTSZSA-N 2 1 346.475 1.270 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccccn3)C2)C1 ZINC000999294727 706792432 /nfs/dbraw/zinc/79/24/32/706792432.db2.gz DWROTXIRQFGCMQ-ABHNRTSZSA-N 2 1 346.475 1.270 20 0 EDADMP CN(C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033095513 704182398 /nfs/dbraw/zinc/18/23/98/704182398.db2.gz YUTVGUUVPLDWLQ-CJNGLKHVSA-N 2 1 337.443 1.682 20 0 EDADMP CN(C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033095513 704182399 /nfs/dbraw/zinc/18/23/99/704182399.db2.gz YUTVGUUVPLDWLQ-CJNGLKHVSA-N 2 1 337.443 1.682 20 0 EDADMP CN(C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)[C@@H]1CC[NH+](CCCF)C1 ZINC001033095513 704182401 /nfs/dbraw/zinc/18/24/01/704182401.db2.gz YUTVGUUVPLDWLQ-CJNGLKHVSA-N 2 1 337.443 1.682 20 0 EDADMP CN(C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)[C@@H]1CC[NH+](CCCF)C1 ZINC001033095513 704182403 /nfs/dbraw/zinc/18/24/03/704182403.db2.gz YUTVGUUVPLDWLQ-CJNGLKHVSA-N 2 1 337.443 1.682 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cnoc3C)C2)CC[N@@H+]1C ZINC001033098298 704214617 /nfs/dbraw/zinc/21/46/17/704214617.db2.gz DYJIPGZXGYMLSD-IXDOHACOSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cnoc3C)C2)CC[N@H+]1C ZINC001033098298 704214619 /nfs/dbraw/zinc/21/46/19/704214619.db2.gz DYJIPGZXGYMLSD-IXDOHACOSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnoc3C)C2)CC[NH+]1C ZINC001033098298 704214622 /nfs/dbraw/zinc/21/46/22/704214622.db2.gz DYJIPGZXGYMLSD-IXDOHACOSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnoc3C)C2)CC[NH+]1C ZINC001033098298 704214625 /nfs/dbraw/zinc/21/46/25/704214625.db2.gz DYJIPGZXGYMLSD-IXDOHACOSA-N 2 1 334.464 1.746 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]Cc3cccc(F)c3)C(C)(C)C2)C1 ZINC000995596460 704563427 /nfs/dbraw/zinc/56/34/27/704563427.db2.gz HYSPMEUOPJZOHZ-IRXDYDNUSA-N 2 1 349.450 1.483 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]Cc3cccc(F)c3)C(C)(C)C2)C1 ZINC000995596460 704563429 /nfs/dbraw/zinc/56/34/29/704563429.db2.gz HYSPMEUOPJZOHZ-IRXDYDNUSA-N 2 1 349.450 1.483 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CC3CCCCC3)C(C)(C)C2)C1 ZINC000995596398 704563508 /nfs/dbraw/zinc/56/35/08/704563508.db2.gz HERXELZRJIVNPH-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CC3CCCCC3)C(C)(C)C2)C1 ZINC000995596398 704563511 /nfs/dbraw/zinc/56/35/11/704563511.db2.gz HERXELZRJIVNPH-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nonc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997785675 704689710 /nfs/dbraw/zinc/68/97/10/704689710.db2.gz KYAXEGGUOAWZKD-UKRRQHHQSA-N 2 1 335.452 1.046 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC000997793082 704699377 /nfs/dbraw/zinc/69/93/77/704699377.db2.gz LFWIQINJEQXEMY-ZWKOTPCHSA-N 2 1 347.507 1.479 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC000997792015 704700373 /nfs/dbraw/zinc/70/03/73/704700373.db2.gz DOSWYMIGQOARBH-CRAIPNDOSA-N 2 1 345.491 1.453 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ncnn2C)CC1 ZINC000997819815 704740936 /nfs/dbraw/zinc/74/09/36/704740936.db2.gz DSOSOEIIBCDTJL-MRXNPFEDSA-N 2 1 348.495 1.018 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]Cc2cscn2)CC1)C1CCC1 ZINC000997832062 704750463 /nfs/dbraw/zinc/75/04/63/704750463.db2.gz YEKIRNDPVWJEPO-UHFFFAOYSA-N 2 1 336.505 1.956 20 0 EDADMP Cn1ncc(C[NH2+]CC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000997840664 704757071 /nfs/dbraw/zinc/75/70/71/704757071.db2.gz PXTLBLCGYUNMGJ-QGZVFWFLSA-N 2 1 348.495 1.018 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000997865524 704772506 /nfs/dbraw/zinc/77/25/06/704772506.db2.gz FIZGBKVFTDZMSH-WMLDXEAASA-N 2 1 348.466 1.889 20 0 EDADMP Cc1ccnc(CN2CC[C@H](NC(=O)CN3CCCC3)[C@H](C)C2)n1 ZINC000944943399 704795940 /nfs/dbraw/zinc/79/59/40/704795940.db2.gz HJKONNGKCFNRNU-ZBFHGGJFSA-N 2 1 331.464 1.207 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](O)c1ccccc1F ZINC001032564279 704827352 /nfs/dbraw/zinc/82/73/52/704827352.db2.gz GUBIDGRLFLGHKN-LBTBCDHLSA-N 2 1 347.434 1.238 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](O)c1ccccc1F ZINC001032564279 704827355 /nfs/dbraw/zinc/82/73/55/704827355.db2.gz GUBIDGRLFLGHKN-LBTBCDHLSA-N 2 1 347.434 1.238 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)c1ccccc1F ZINC001032564279 704827359 /nfs/dbraw/zinc/82/73/59/704827359.db2.gz GUBIDGRLFLGHKN-LBTBCDHLSA-N 2 1 347.434 1.238 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)c1ccccc1F ZINC001032564279 704827363 /nfs/dbraw/zinc/82/73/63/704827363.db2.gz GUBIDGRLFLGHKN-LBTBCDHLSA-N 2 1 347.434 1.238 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2cnnn2C)CC1 ZINC000997950738 705076975 /nfs/dbraw/zinc/07/69/75/705076975.db2.gz STPSLWSBGQUFCT-WBVHZDCISA-N 2 1 348.495 1.112 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2cnnn2C)CC1 ZINC000997950738 705076978 /nfs/dbraw/zinc/07/69/78/705076978.db2.gz STPSLWSBGQUFCT-WBVHZDCISA-N 2 1 348.495 1.112 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2cnnn2C)CC1 ZINC000997950738 705076984 /nfs/dbraw/zinc/07/69/84/705076984.db2.gz STPSLWSBGQUFCT-WBVHZDCISA-N 2 1 348.495 1.112 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2cnnn2C)CC1 ZINC000997950738 705076988 /nfs/dbraw/zinc/07/69/88/705076988.db2.gz STPSLWSBGQUFCT-WBVHZDCISA-N 2 1 348.495 1.112 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000998007430 705172198 /nfs/dbraw/zinc/17/21/98/705172198.db2.gz NWKXUYBYGSVGPX-MSOLQXFVSA-N 2 1 337.508 1.678 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC3CCC3)CC2)C1 ZINC000998007904 705173364 /nfs/dbraw/zinc/17/33/64/705173364.db2.gz DIUGVKVTHQTUGZ-GOSISDBHSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC3CCC3)CC2)C1 ZINC000998007904 705173368 /nfs/dbraw/zinc/17/33/68/705173368.db2.gz DIUGVKVTHQTUGZ-GOSISDBHSA-N 2 1 337.508 1.724 20 0 EDADMP CCN(C(=O)[C@@H]1CCn2cncc2C1)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000998042815 705237666 /nfs/dbraw/zinc/23/76/66/705237666.db2.gz AOJMZWLSPRDZAW-SJORKVTESA-N 2 1 348.491 1.795 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000998082212 705309259 /nfs/dbraw/zinc/30/92/59/705309259.db2.gz OMWIJSSSVSIHKM-AWEZNQCLSA-N 2 1 336.505 1.956 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)no1 ZINC000998083132 705311521 /nfs/dbraw/zinc/31/15/21/705311521.db2.gz VGBIIKWSKJXFRL-CQSZACIVSA-N 2 1 334.464 1.653 20 0 EDADMP Cc1nnc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000998083890 705313686 /nfs/dbraw/zinc/31/36/86/705313686.db2.gz YILLRSUSKGUAAA-CYBMUJFWSA-N 2 1 335.452 1.048 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)co1 ZINC000998084080 705313902 /nfs/dbraw/zinc/31/39/02/705313902.db2.gz ZEJXOWSDKIBRQK-AWEZNQCLSA-N 2 1 334.464 1.653 20 0 EDADMP CCN(C(=O)[C@@H]1CCCc2nc[nH]c21)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998115368 705360236 /nfs/dbraw/zinc/36/02/36/705360236.db2.gz IIBPVWLNYNDWLW-HUUCEWRRSA-N 2 1 334.464 1.525 20 0 EDADMP Cc1ncoc1C[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000998217953 705540242 /nfs/dbraw/zinc/54/02/42/705540242.db2.gz UPCURUAQVLSGEW-MRXNPFEDSA-N 2 1 334.464 1.653 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC000998265293 705632139 /nfs/dbraw/zinc/63/21/39/705632139.db2.gz KKWCJXPGFAIHDQ-MRXNPFEDSA-N 2 1 331.464 1.065 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1csnn1 ZINC000998267663 705638541 /nfs/dbraw/zinc/63/85/41/705638541.db2.gz YIUIZYOOKFGKKE-JSGCOSHPSA-N 2 1 337.493 1.379 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)oc1C ZINC000998268101 705639976 /nfs/dbraw/zinc/63/99/76/705639976.db2.gz BNRPSKHPLOVKQY-MRXNPFEDSA-N 2 1 334.464 1.571 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2C)o1 ZINC000945332283 705643971 /nfs/dbraw/zinc/64/39/71/705643971.db2.gz BVYHDNNEHCDSOK-ZBFHGGJFSA-N 2 1 337.464 1.554 20 0 EDADMP CCc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998274129 705654745 /nfs/dbraw/zinc/65/47/45/705654745.db2.gz RGPJCGVWRGDABM-MRXNPFEDSA-N 2 1 348.491 1.825 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC(NCc2csc(Cl)n2)C1 ZINC000998550637 705986920 /nfs/dbraw/zinc/98/69/20/705986920.db2.gz NUBUHKGWTPJPFL-KGPNIALWSA-N 2 1 342.896 1.970 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2csc(Cl)n2)C1 ZINC000998550637 705986929 /nfs/dbraw/zinc/98/69/29/705986929.db2.gz NUBUHKGWTPJPFL-KGPNIALWSA-N 2 1 342.896 1.970 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H]1CC(C)(C)C)C2=O ZINC000057821734 706047700 /nfs/dbraw/zinc/04/77/00/706047700.db2.gz JDLHTCZZEYFIED-AWEZNQCLSA-N 2 1 336.480 1.861 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC000998718097 706149770 /nfs/dbraw/zinc/14/97/70/706149770.db2.gz BAZKTSFLFKCDRL-LSDHHAIUSA-N 2 1 336.867 1.910 20 0 EDADMP CN(C)c1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC000998718968 706150606 /nfs/dbraw/zinc/15/06/06/706150606.db2.gz DJSXALLMSHWAPM-IEBWSBKVSA-N 2 1 344.503 1.927 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000998720000 706152126 /nfs/dbraw/zinc/15/21/26/706152126.db2.gz HSUGOKDLNGHAAQ-LSDHHAIUSA-N 2 1 332.448 1.727 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000998720000 706152127 /nfs/dbraw/zinc/15/21/27/706152127.db2.gz HSUGOKDLNGHAAQ-LSDHHAIUSA-N 2 1 332.448 1.727 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccn2C(F)F)C1 ZINC000998725039 706156799 /nfs/dbraw/zinc/15/67/99/706156799.db2.gz VKLNKDBSLHQUEN-QWHCGFSZSA-N 2 1 341.406 1.453 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)[nH]1 ZINC000998764743 706203891 /nfs/dbraw/zinc/20/38/91/706203891.db2.gz UOGGSWGSCFMUAF-YMAMQOFZSA-N 2 1 334.468 1.065 20 0 EDADMP CC(C)n1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000998792191 706238886 /nfs/dbraw/zinc/23/88/86/706238886.db2.gz VKXIBRBLFZSPCE-AGERRDQYSA-N 2 1 347.507 1.883 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC000998827233 706274242 /nfs/dbraw/zinc/27/42/42/706274242.db2.gz RALWXVHOCSSLJK-MSOLQXFVSA-N 2 1 349.450 1.567 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC000998827233 706274244 /nfs/dbraw/zinc/27/42/44/706274244.db2.gz RALWXVHOCSSLJK-MSOLQXFVSA-N 2 1 349.450 1.567 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000998897587 706325343 /nfs/dbraw/zinc/32/53/43/706325343.db2.gz HWGVTPAYCWDANY-FHERZECASA-N 2 1 349.479 1.435 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000998897587 706325344 /nfs/dbraw/zinc/32/53/44/706325344.db2.gz HWGVTPAYCWDANY-FHERZECASA-N 2 1 349.479 1.435 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2CC(NCc3cnon3)C2)C1 ZINC000998902048 706338631 /nfs/dbraw/zinc/33/86/31/706338631.db2.gz RJMPKLPFNQZAKQ-VQCLRJIVSA-N 2 1 335.452 1.127 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cnon3)C2)C1 ZINC000998902048 706338634 /nfs/dbraw/zinc/33/86/34/706338634.db2.gz RJMPKLPFNQZAKQ-VQCLRJIVSA-N 2 1 335.452 1.127 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cnon3)C2)C1 ZINC000998902048 706338635 /nfs/dbraw/zinc/33/86/35/706338635.db2.gz RJMPKLPFNQZAKQ-VQCLRJIVSA-N 2 1 335.452 1.127 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)sn1 ZINC000999127800 706529670 /nfs/dbraw/zinc/52/96/70/706529670.db2.gz VAXHLSOATKSQQZ-UHFFFAOYSA-N 2 1 333.461 1.736 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC3CCOCC3)C[C@H]2CC1 ZINC000946517916 706555096 /nfs/dbraw/zinc/55/50/96/706555096.db2.gz MBKFKTKXAZIQRH-OTWHNJEPSA-N 2 1 349.519 1.678 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]2CC1 ZINC000946517916 706555099 /nfs/dbraw/zinc/55/50/99/706555099.db2.gz MBKFKTKXAZIQRH-OTWHNJEPSA-N 2 1 349.519 1.678 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCOCC3)C[C@H]2CC1 ZINC000946517916 706555101 /nfs/dbraw/zinc/55/51/01/706555101.db2.gz MBKFKTKXAZIQRH-OTWHNJEPSA-N 2 1 349.519 1.678 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999353243 706866377 /nfs/dbraw/zinc/86/63/77/706866377.db2.gz LUMCAXSXJIMZOI-GDBMZVCRSA-N 2 1 327.444 1.180 20 0 EDADMP Cn1nccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000999376213 706870351 /nfs/dbraw/zinc/87/03/51/706870351.db2.gz VDQMMDMXKAHJGA-HOCLYGCPSA-N 2 1 342.447 1.275 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)c(C)o1 ZINC000999376193 706870483 /nfs/dbraw/zinc/87/04/83/706870483.db2.gz LSFQLGJWOHDSET-HNNXBMFYSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)c(C)o1 ZINC000999376193 706870485 /nfs/dbraw/zinc/87/04/85/706870485.db2.gz LSFQLGJWOHDSET-HNNXBMFYSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000999377671 706871740 /nfs/dbraw/zinc/87/17/40/706871740.db2.gz WTSRQDDQPBZVCL-HOTGVXAUSA-N 2 1 343.431 1.838 20 0 EDADMP CCCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999372092 706886664 /nfs/dbraw/zinc/88/66/64/706886664.db2.gz OCDUTNSEQGEBLO-RDJZCZTQSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999401654 706909477 /nfs/dbraw/zinc/90/94/77/706909477.db2.gz PNMJNNBPVWLXHU-IAGOWNOFSA-N 2 1 347.507 1.858 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)s1 ZINC000999424523 706930947 /nfs/dbraw/zinc/93/09/47/706930947.db2.gz RDWXBJVYYRHXNO-HIFRSBDPSA-N 2 1 339.509 1.513 20 0 EDADMP C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cnn(C)n2)C1)[NH+]1CCCCCC1 ZINC000999502040 706999922 /nfs/dbraw/zinc/99/99/22/706999922.db2.gz FPBCLTRRFPNQCN-UQPPLGOBSA-N 2 1 348.495 1.159 20 0 EDADMP CCn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999506851 707004583 /nfs/dbraw/zinc/00/45/83/707004583.db2.gz CBXHGNILFNDXDD-CVEARBPZSA-N 2 1 333.480 1.468 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)no1 ZINC000999595052 707098087 /nfs/dbraw/zinc/09/80/87/707098087.db2.gz DLUBWRARLBIWET-HNNXBMFYSA-N 2 1 332.448 1.692 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999680831 707165618 /nfs/dbraw/zinc/16/56/18/707165618.db2.gz ASFUMNWPLFKPMR-QQFBHYJXSA-N 2 1 348.491 1.966 20 0 EDADMP Cc1cncn1CC(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033265699 707289725 /nfs/dbraw/zinc/28/97/25/707289725.db2.gz IPHJRGSRLPGLKV-CQSZACIVSA-N 2 1 326.391 1.770 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033265699 707289732 /nfs/dbraw/zinc/28/97/32/707289732.db2.gz IPHJRGSRLPGLKV-CQSZACIVSA-N 2 1 326.391 1.770 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033265699 707289736 /nfs/dbraw/zinc/28/97/36/707289736.db2.gz IPHJRGSRLPGLKV-CQSZACIVSA-N 2 1 326.391 1.770 20 0 EDADMP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC000999712250 707307918 /nfs/dbraw/zinc/30/79/18/707307918.db2.gz HLKIKZHSIYTKIZ-MRXNPFEDSA-N 2 1 343.431 1.376 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1)[NH+](C)C ZINC000946784891 707317488 /nfs/dbraw/zinc/31/74/88/707317488.db2.gz ZDUGAVJCNXOOGG-FJIDUMEYSA-N 2 1 337.508 1.534 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033180189 707337893 /nfs/dbraw/zinc/33/78/93/707337893.db2.gz FJYZXPLWFPILLQ-KRWDZBQOSA-N 2 1 346.475 1.892 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033180189 707337900 /nfs/dbraw/zinc/33/79/00/707337900.db2.gz FJYZXPLWFPILLQ-KRWDZBQOSA-N 2 1 346.475 1.892 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033294786 707420088 /nfs/dbraw/zinc/42/00/88/707420088.db2.gz FNPMNOJMXQYWPH-ROUUACIJSA-N 2 1 345.491 1.290 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199755 707452425 /nfs/dbraw/zinc/45/24/25/707452425.db2.gz XURPFAMRYNLGJG-DLBZAZTESA-N 2 1 333.480 1.246 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199755 707452426 /nfs/dbraw/zinc/45/24/26/707452426.db2.gz XURPFAMRYNLGJG-DLBZAZTESA-N 2 1 333.480 1.246 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033199755 707452428 /nfs/dbraw/zinc/45/24/28/707452428.db2.gz XURPFAMRYNLGJG-DLBZAZTESA-N 2 1 333.480 1.246 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033199755 707452430 /nfs/dbraw/zinc/45/24/30/707452430.db2.gz XURPFAMRYNLGJG-DLBZAZTESA-N 2 1 333.480 1.246 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999870381 707512835 /nfs/dbraw/zinc/51/28/35/707512835.db2.gz FVYKQGNQCFPWLE-HNNXBMFYSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999871403 707515075 /nfs/dbraw/zinc/51/50/75/707515075.db2.gz KEIYPHNZUODNHP-CQSZACIVSA-N 2 1 335.452 1.333 20 0 EDADMP CCc1nc(NC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cc(C)[nH+]1 ZINC001060895209 707654440 /nfs/dbraw/zinc/65/44/40/707654440.db2.gz ZOLNSCZZQFFQRP-CVEARBPZSA-N 2 1 345.491 1.950 20 0 EDADMP CCc1nc(NC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc(C)[nH+]1 ZINC001060895209 707654442 /nfs/dbraw/zinc/65/44/42/707654442.db2.gz ZOLNSCZZQFFQRP-CVEARBPZSA-N 2 1 345.491 1.950 20 0 EDADMP C[C@@H]([NH2+]Cc1nncn1C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004930430 707678899 /nfs/dbraw/zinc/67/88/99/707678899.db2.gz UDXVPNODYZLFLI-GDBMZVCRSA-N 2 1 348.495 1.016 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001033397027 707736184 /nfs/dbraw/zinc/73/61/84/707736184.db2.gz RBSFIJCCKLWWFZ-INIZCTEOSA-N 2 1 346.475 1.927 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001033397027 707736187 /nfs/dbraw/zinc/73/61/87/707736187.db2.gz RBSFIJCCKLWWFZ-INIZCTEOSA-N 2 1 346.475 1.927 20 0 EDADMP Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)c1 ZINC001032733572 707741456 /nfs/dbraw/zinc/74/14/56/707741456.db2.gz AWAZGUNMVABLKV-ROUUACIJSA-N 2 1 325.456 1.876 20 0 EDADMP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417268 707799595 /nfs/dbraw/zinc/79/95/95/707799595.db2.gz VSPPSWBMDHIKLU-RHSMWYFYSA-N 2 1 329.460 1.378 20 0 EDADMP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033417268 707799598 /nfs/dbraw/zinc/79/95/98/707799598.db2.gz VSPPSWBMDHIKLU-RHSMWYFYSA-N 2 1 329.460 1.378 20 0 EDADMP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033417268 707799601 /nfs/dbraw/zinc/79/96/01/707799601.db2.gz VSPPSWBMDHIKLU-RHSMWYFYSA-N 2 1 329.460 1.378 20 0 EDADMP Cc1ncoc1CN[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1cncn1C ZINC001004984501 707831507 /nfs/dbraw/zinc/83/15/07/707831507.db2.gz WPXUVHQMIANWJA-BBRMVZONSA-N 2 1 345.447 1.818 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1 ZINC001033420706 707832238 /nfs/dbraw/zinc/83/22/38/707832238.db2.gz RXYDRKAUNCZISX-CRAIPNDOSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC001033420706 707832242 /nfs/dbraw/zinc/83/22/42/707832242.db2.gz RXYDRKAUNCZISX-CRAIPNDOSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)c1 ZINC001033420706 707832245 /nfs/dbraw/zinc/83/22/45/707832245.db2.gz RXYDRKAUNCZISX-CRAIPNDOSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)c1 ZINC001033420706 707832247 /nfs/dbraw/zinc/83/22/47/707832247.db2.gz RXYDRKAUNCZISX-CRAIPNDOSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)sn1 ZINC001033422542 707837407 /nfs/dbraw/zinc/83/74/07/707837407.db2.gz HPVCQQMLIONKDC-CABCVRRESA-N 2 1 336.505 1.969 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)sn1 ZINC001033422542 707837411 /nfs/dbraw/zinc/83/74/11/707837411.db2.gz HPVCQQMLIONKDC-CABCVRRESA-N 2 1 336.505 1.969 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)sn1 ZINC001033422542 707837416 /nfs/dbraw/zinc/83/74/16/707837416.db2.gz HPVCQQMLIONKDC-CABCVRRESA-N 2 1 336.505 1.969 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)sn1 ZINC001033422542 707837419 /nfs/dbraw/zinc/83/74/19/707837419.db2.gz HPVCQQMLIONKDC-CABCVRRESA-N 2 1 336.505 1.969 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001033225020 707849373 /nfs/dbraw/zinc/84/93/73/707849373.db2.gz CBTACCCAGWIRDX-DLBZAZTESA-N 2 1 349.519 1.963 20 0 EDADMP Cc1cc(NC[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nc(C)[nH+]1 ZINC001060933724 707952545 /nfs/dbraw/zinc/95/25/45/707952545.db2.gz SDYSWNVMJBFISZ-RHSMWYFYSA-N 2 1 331.464 1.694 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc3c(c2)CCC3)C1 ZINC001032781352 707970278 /nfs/dbraw/zinc/97/02/78/707970278.db2.gz RTHOJCCVASONDO-AABGKKOBSA-N 2 1 339.483 1.912 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc3c(c2)CCC3)C1 ZINC001032781352 707970281 /nfs/dbraw/zinc/97/02/81/707970281.db2.gz RTHOJCCVASONDO-AABGKKOBSA-N 2 1 339.483 1.912 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc3c(c2)CCC3)C1 ZINC001032781352 707970284 /nfs/dbraw/zinc/97/02/84/707970284.db2.gz RTHOJCCVASONDO-AABGKKOBSA-N 2 1 339.483 1.912 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc3c(c2)CCC3)C1 ZINC001032781352 707970286 /nfs/dbraw/zinc/97/02/86/707970286.db2.gz RTHOJCCVASONDO-AABGKKOBSA-N 2 1 339.483 1.912 20 0 EDADMP C[C@@H](F)CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490625 707985164 /nfs/dbraw/zinc/98/51/64/707985164.db2.gz UXJBVIVFDFQYGH-ZBFHGGJFSA-N 2 1 339.459 1.339 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001005179337 708122141 /nfs/dbraw/zinc/12/21/41/708122141.db2.gz NJVQRPXOOSRXGM-QGZVFWFLSA-N 2 1 334.464 1.808 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001005181808 708127492 /nfs/dbraw/zinc/12/74/92/708127492.db2.gz ZTMVREKQCHVJQR-KRWDZBQOSA-N 2 1 334.439 1.738 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001005181808 708127494 /nfs/dbraw/zinc/12/74/94/708127494.db2.gz ZTMVREKQCHVJQR-KRWDZBQOSA-N 2 1 334.439 1.738 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001005210168 708236048 /nfs/dbraw/zinc/23/60/48/708236048.db2.gz SBQUALSMKYCYFI-HNNXBMFYSA-N 2 1 345.434 1.285 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001005210168 708236050 /nfs/dbraw/zinc/23/60/50/708236050.db2.gz SBQUALSMKYCYFI-HNNXBMFYSA-N 2 1 345.434 1.285 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001033582091 708264420 /nfs/dbraw/zinc/26/44/20/708264420.db2.gz NZLWFBSTKGLEBS-AEFFLSMTSA-N 2 1 347.507 1.320 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033582091 708264422 /nfs/dbraw/zinc/26/44/22/708264422.db2.gz NZLWFBSTKGLEBS-AEFFLSMTSA-N 2 1 347.507 1.320 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033582091 708264425 /nfs/dbraw/zinc/26/44/25/708264425.db2.gz NZLWFBSTKGLEBS-AEFFLSMTSA-N 2 1 347.507 1.320 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582806 708266290 /nfs/dbraw/zinc/26/62/90/708266290.db2.gz RDMUPLQBUSCEOA-JKSUJKDBSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033582806 708266292 /nfs/dbraw/zinc/26/62/92/708266292.db2.gz RDMUPLQBUSCEOA-JKSUJKDBSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033582806 708266294 /nfs/dbraw/zinc/26/62/94/708266294.db2.gz RDMUPLQBUSCEOA-JKSUJKDBSA-N 2 1 348.491 1.920 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC001001752254 708274483 /nfs/dbraw/zinc/27/44/83/708274483.db2.gz YSVOUZGJSFIRPR-RDJZCZTQSA-N 2 1 325.497 1.317 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033571408 708274511 /nfs/dbraw/zinc/27/45/11/708274511.db2.gz NVOGOSSFEHWFQY-YJBOKZPZSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3nccn3C)CC2)CC[N@@H+]1C ZINC001001761858 708285094 /nfs/dbraw/zinc/28/50/94/708285094.db2.gz POIRJVNOLOXBOO-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3nccn3C)CC2)CC[N@H+]1C ZINC001001761858 708285096 /nfs/dbraw/zinc/28/50/96/708285096.db2.gz POIRJVNOLOXBOO-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001033584946 708312109 /nfs/dbraw/zinc/31/21/09/708312109.db2.gz CLFSPGQJHVBXLV-CVEARBPZSA-N 2 1 346.475 1.721 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001033584946 708312113 /nfs/dbraw/zinc/31/21/13/708312113.db2.gz CLFSPGQJHVBXLV-CVEARBPZSA-N 2 1 346.475 1.721 20 0 EDADMP COC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001832289 708358177 /nfs/dbraw/zinc/35/81/77/708358177.db2.gz DDDCNOFNLSBDJV-YOEHRIQHSA-N 2 1 348.491 1.617 20 0 EDADMP Cc1ccnc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001001835007 708361428 /nfs/dbraw/zinc/36/14/28/708361428.db2.gz UJTJMVDFURHPTI-WMLDXEAASA-N 2 1 345.491 1.311 20 0 EDADMP Cc1ccnc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001001835007 708361431 /nfs/dbraw/zinc/36/14/31/708361431.db2.gz UJTJMVDFURHPTI-WMLDXEAASA-N 2 1 345.491 1.311 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033663649 708444014 /nfs/dbraw/zinc/44/40/14/708444014.db2.gz WXWPORFSDBTTBA-WMZOPIPTSA-N 2 1 347.507 1.757 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033663649 708444017 /nfs/dbraw/zinc/44/40/17/708444017.db2.gz WXWPORFSDBTTBA-WMZOPIPTSA-N 2 1 347.507 1.757 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033663649 708444018 /nfs/dbraw/zinc/44/40/18/708444018.db2.gz WXWPORFSDBTTBA-WMZOPIPTSA-N 2 1 347.507 1.757 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033663649 708444021 /nfs/dbraw/zinc/44/40/21/708444021.db2.gz WXWPORFSDBTTBA-WMZOPIPTSA-N 2 1 347.507 1.757 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001033663968 708444370 /nfs/dbraw/zinc/44/43/70/708444370.db2.gz AVKCAAJJDYRQHT-ROUUACIJSA-N 2 1 349.450 1.488 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC001033664075 708445506 /nfs/dbraw/zinc/44/55/06/708445506.db2.gz BSIBRKMZNOZFBB-INIZCTEOSA-N 2 1 349.450 1.833 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CCOc2ccccc2F)C1 ZINC001033664075 708445508 /nfs/dbraw/zinc/44/55/08/708445508.db2.gz BSIBRKMZNOZFBB-INIZCTEOSA-N 2 1 349.450 1.833 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002121609 708635582 /nfs/dbraw/zinc/63/55/82/708635582.db2.gz SFRKMBFTXFIVIA-KRWDZBQOSA-N 2 1 330.476 1.670 20 0 EDADMP CCC(CC)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001033788914 708699500 /nfs/dbraw/zinc/69/95/00/708699500.db2.gz LJVPXLJETUIWHE-DLBZAZTESA-N 2 1 325.497 1.676 20 0 EDADMP C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001005392150 708865792 /nfs/dbraw/zinc/86/57/92/708865792.db2.gz XOLCWAGYIKVHAQ-CQSZACIVSA-N 2 1 338.496 1.048 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(Cc2ncc(C)o2)C1 ZINC001033837757 708867190 /nfs/dbraw/zinc/86/71/90/708867190.db2.gz JIPCNLPMPXWHLK-OWCLPIDISA-N 2 1 334.464 1.746 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2cncn2C)CC1 ZINC001005400040 708886917 /nfs/dbraw/zinc/88/69/17/708886917.db2.gz YCXOCFNTKRQTAL-GOSISDBHSA-N 2 1 345.491 1.185 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001005415515 708933684 /nfs/dbraw/zinc/93/36/84/708933684.db2.gz LTUJGJDXKGTXBL-BPQIPLTHSA-N 2 1 337.508 1.676 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC[NH+](CC2CCCC2)CC1 ZINC001005427333 708982116 /nfs/dbraw/zinc/98/21/16/708982116.db2.gz WNIQSHJQGJTRLB-RTBURBONSA-N 2 1 349.519 1.963 20 0 EDADMP CO[C@H](C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1)C1CCCC1 ZINC001002472634 709006020 /nfs/dbraw/zinc/00/60/20/709006020.db2.gz CKMBEGFROQOMCG-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033928373 709059624 /nfs/dbraw/zinc/05/96/24/709059624.db2.gz YXQYGCNBYJJHRH-ROUUACIJSA-N 2 1 347.507 1.370 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033928373 709059628 /nfs/dbraw/zinc/05/96/28/709059628.db2.gz YXQYGCNBYJJHRH-ROUUACIJSA-N 2 1 347.507 1.370 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033928373 709059631 /nfs/dbraw/zinc/05/96/31/709059631.db2.gz YXQYGCNBYJJHRH-ROUUACIJSA-N 2 1 347.507 1.370 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCc2cnn(CC)c2)C1 ZINC001034037721 709270308 /nfs/dbraw/zinc/27/03/08/709270308.db2.gz DWYPMUIRLXGSPB-MSOLQXFVSA-N 2 1 347.507 1.320 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001034037721 709270312 /nfs/dbraw/zinc/27/03/12/709270312.db2.gz DWYPMUIRLXGSPB-MSOLQXFVSA-N 2 1 347.507 1.320 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001034037721 709270315 /nfs/dbraw/zinc/27/03/15/709270315.db2.gz DWYPMUIRLXGSPB-MSOLQXFVSA-N 2 1 347.507 1.320 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccc(OC)n2)C1 ZINC001034041625 709290639 /nfs/dbraw/zinc/29/06/39/709290639.db2.gz GNPUDUJEDVENOS-NVXWUHKLSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cccc(OC)n2)C1 ZINC001034041625 709290640 /nfs/dbraw/zinc/29/06/40/709290640.db2.gz GNPUDUJEDVENOS-NVXWUHKLSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(OC)n2)C1 ZINC001034041625 709290641 /nfs/dbraw/zinc/29/06/41/709290641.db2.gz GNPUDUJEDVENOS-NVXWUHKLSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(OC)n2)C1 ZINC001034041625 709290642 /nfs/dbraw/zinc/29/06/42/709290642.db2.gz GNPUDUJEDVENOS-NVXWUHKLSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001034042309 709292197 /nfs/dbraw/zinc/29/21/97/709292197.db2.gz MYEQLMFFTWSGKD-RDJZCZTQSA-N 2 1 334.439 1.595 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001034042309 709292201 /nfs/dbraw/zinc/29/22/01/709292201.db2.gz MYEQLMFFTWSGKD-RDJZCZTQSA-N 2 1 334.439 1.595 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001034042309 709292205 /nfs/dbraw/zinc/29/22/05/709292205.db2.gz MYEQLMFFTWSGKD-RDJZCZTQSA-N 2 1 334.439 1.595 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001034042309 709292207 /nfs/dbraw/zinc/29/22/07/709292207.db2.gz MYEQLMFFTWSGKD-RDJZCZTQSA-N 2 1 334.439 1.595 20 0 EDADMP C[C@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)CC[NH2+]C1 ZINC000702086147 709330081 /nfs/dbraw/zinc/33/00/81/709330081.db2.gz GSLNWSVNMBWJIO-YSIASYRMSA-N 2 1 327.472 1.967 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001034130596 709400610 /nfs/dbraw/zinc/40/06/10/709400610.db2.gz JDHIMNCGEIUCSL-ZWKOTPCHSA-N 2 1 347.507 1.565 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001034130596 709400611 /nfs/dbraw/zinc/40/06/11/709400611.db2.gz JDHIMNCGEIUCSL-ZWKOTPCHSA-N 2 1 347.507 1.565 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001034130596 709400612 /nfs/dbraw/zinc/40/06/12/709400612.db2.gz JDHIMNCGEIUCSL-ZWKOTPCHSA-N 2 1 347.507 1.565 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCc2ccns2)C1 ZINC001034131130 709400721 /nfs/dbraw/zinc/40/07/21/709400721.db2.gz LQMVZRMBZHCXJP-HOCLYGCPSA-N 2 1 336.505 1.751 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCc2ccns2)C1 ZINC001034131130 709400724 /nfs/dbraw/zinc/40/07/24/709400724.db2.gz LQMVZRMBZHCXJP-HOCLYGCPSA-N 2 1 336.505 1.751 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCc2ccns2)C1 ZINC001034131130 709400726 /nfs/dbraw/zinc/40/07/26/709400726.db2.gz LQMVZRMBZHCXJP-HOCLYGCPSA-N 2 1 336.505 1.751 20 0 EDADMP CC[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1)OC ZINC001002793672 709401994 /nfs/dbraw/zinc/40/19/94/709401994.db2.gz ZBPNVKOFGNJMLN-SJORKVTESA-N 2 1 325.497 1.865 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002801537 709415502 /nfs/dbraw/zinc/41/55/02/709415502.db2.gz JBPBYOPBVLBHPK-NVXWUHKLSA-N 2 1 345.491 1.375 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002801537 709415504 /nfs/dbraw/zinc/41/55/04/709415504.db2.gz JBPBYOPBVLBHPK-NVXWUHKLSA-N 2 1 345.491 1.375 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034211298 709562418 /nfs/dbraw/zinc/56/24/18/709562418.db2.gz ZDWBVTBGPFSFOG-MRXNPFEDSA-N 2 1 335.496 1.829 20 0 EDADMP CC(C)(C)[NH2+]CCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702603901 709700635 /nfs/dbraw/zinc/70/06/35/709700635.db2.gz OUTKXJAUQDPIJG-LJQANCHMSA-N 2 1 333.476 1.518 20 0 EDADMP Cc1cc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC001061214322 709739020 /nfs/dbraw/zinc/73/90/20/709739020.db2.gz NVXIQGQSHBNGHV-HZPDHXFCSA-N 2 1 331.464 1.472 20 0 EDADMP Cc1cc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC001061214322 709739022 /nfs/dbraw/zinc/73/90/22/709739022.db2.gz NVXIQGQSHBNGHV-HZPDHXFCSA-N 2 1 331.464 1.472 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CCC2CC2)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321909 709772743 /nfs/dbraw/zinc/77/27/43/709772743.db2.gz XJRULNOGOGJXKN-NNVNDSJASA-N 2 1 347.503 1.620 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CCC2CC2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001034321909 709772745 /nfs/dbraw/zinc/77/27/45/709772745.db2.gz XJRULNOGOGJXKN-NNVNDSJASA-N 2 1 347.503 1.620 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CCC2CC2)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001034321909 709772749 /nfs/dbraw/zinc/77/27/49/709772749.db2.gz XJRULNOGOGJXKN-NNVNDSJASA-N 2 1 347.503 1.620 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCC3)C2)C1 ZINC001034363574 709882318 /nfs/dbraw/zinc/88/23/18/709882318.db2.gz OYJCNFGSRNFIPS-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCC3)C2)C1 ZINC001034363574 709882325 /nfs/dbraw/zinc/88/23/25/709882325.db2.gz OYJCNFGSRNFIPS-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CCC3)C2)C1 ZINC001034363574 709882329 /nfs/dbraw/zinc/88/23/29/709882329.db2.gz OYJCNFGSRNFIPS-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CCC3)C2)C1 ZINC001034363574 709882334 /nfs/dbraw/zinc/88/23/34/709882334.db2.gz OYJCNFGSRNFIPS-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCCC[N@H+](C[C@@H]2CCOC2)C1 ZINC001034366120 709889091 /nfs/dbraw/zinc/88/90/91/709889091.db2.gz WXQRZEBPPUGLMD-DOTOQJQBSA-N 2 1 349.475 1.962 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001034366120 709889094 /nfs/dbraw/zinc/88/90/94/709889094.db2.gz WXQRZEBPPUGLMD-DOTOQJQBSA-N 2 1 349.475 1.962 20 0 EDADMP Cn1nccc1C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034384588 709911961 /nfs/dbraw/zinc/91/19/61/709911961.db2.gz FXMFXULEICKVRG-INIZCTEOSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1nccc1C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034384588 709911963 /nfs/dbraw/zinc/91/19/63/709911963.db2.gz FXMFXULEICKVRG-INIZCTEOSA-N 2 1 333.480 1.233 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001045438294 710028026 /nfs/dbraw/zinc/02/80/26/710028026.db2.gz OHJYIJJTFBFGOF-DLBZAZTESA-N 2 1 337.508 1.866 20 0 EDADMP CO[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034464056 710034337 /nfs/dbraw/zinc/03/43/37/710034337.db2.gz WOLDCILDXSRFPU-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001034460355 710077212 /nfs/dbraw/zinc/07/72/12/710077212.db2.gz COCCCJMTZSAHEW-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478869 710088040 /nfs/dbraw/zinc/08/80/40/710088040.db2.gz PMEZMDUYZDJNEB-YJBOKZPZSA-N 2 1 337.508 1.460 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](CCOC3CCC3)C2)C1 ZINC001034490423 710109370 /nfs/dbraw/zinc/10/93/70/710109370.db2.gz LBTUUTYFIUGJHE-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@H+](CCOC3CCC3)C2)C1 ZINC001034490423 710109371 /nfs/dbraw/zinc/10/93/71/710109371.db2.gz LBTUUTYFIUGJHE-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@@H+](CCOC3CCC3)C2)C1 ZINC001034490423 710109373 /nfs/dbraw/zinc/10/93/73/710109373.db2.gz LBTUUTYFIUGJHE-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490828 710110380 /nfs/dbraw/zinc/11/03/80/710110380.db2.gz OCPOSIXPOAZOMI-FUHWJXTLSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034490828 710110382 /nfs/dbraw/zinc/11/03/82/710110382.db2.gz OCPOSIXPOAZOMI-FUHWJXTLSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034490828 710110386 /nfs/dbraw/zinc/11/03/86/710110386.db2.gz OCPOSIXPOAZOMI-FUHWJXTLSA-N 2 1 347.507 1.541 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](C[C@@H]2CCCOC2)C1)C12CC[NH+](CC1)C2 ZINC001034487971 710136791 /nfs/dbraw/zinc/13/67/91/710136791.db2.gz RVLLNDUTDVAGRT-IRXDYDNUSA-N 2 1 335.492 1.480 20 0 EDADMP COc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)ccn1 ZINC001034525392 710175269 /nfs/dbraw/zinc/17/52/69/710175269.db2.gz LXRUSGLVFCVHRP-DLBZAZTESA-N 2 1 346.475 1.513 20 0 EDADMP COc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)ccn1 ZINC001034525392 710175271 /nfs/dbraw/zinc/17/52/71/710175271.db2.gz LXRUSGLVFCVHRP-DLBZAZTESA-N 2 1 346.475 1.513 20 0 EDADMP COc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC001034525392 710175273 /nfs/dbraw/zinc/17/52/73/710175273.db2.gz LXRUSGLVFCVHRP-DLBZAZTESA-N 2 1 346.475 1.513 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034526491 710178125 /nfs/dbraw/zinc/17/81/25/710178125.db2.gz YPVBDRAPLMOKQK-JKSUJKDBSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001034526491 710178127 /nfs/dbraw/zinc/17/81/27/710178127.db2.gz YPVBDRAPLMOKQK-JKSUJKDBSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034526491 710178129 /nfs/dbraw/zinc/17/81/29/710178129.db2.gz YPVBDRAPLMOKQK-JKSUJKDBSA-N 2 1 348.491 1.968 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001061757677 710201502 /nfs/dbraw/zinc/20/15/02/710201502.db2.gz NCHVHOUSVXDTLT-SJORKVTESA-N 2 1 345.491 1.910 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001061757677 710201505 /nfs/dbraw/zinc/20/15/05/710201505.db2.gz NCHVHOUSVXDTLT-SJORKVTESA-N 2 1 345.491 1.910 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](CCOc2ccccc2)CC1 ZINC001003318006 710246532 /nfs/dbraw/zinc/24/65/32/710246532.db2.gz CNFMCBQCXBWBSK-UHFFFAOYSA-N 2 1 342.443 1.851 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](CCc2scnc2C)CC1 ZINC001003318063 710246592 /nfs/dbraw/zinc/24/65/92/710246592.db2.gz DBTSAYAIOSICBW-UHFFFAOYSA-N 2 1 347.488 1.780 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001003318602 710247230 /nfs/dbraw/zinc/24/72/30/710247230.db2.gz MRWJCFWULRLUSD-UHFFFAOYSA-N 2 1 342.443 1.465 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)oc1C ZINC001034613173 710288203 /nfs/dbraw/zinc/28/82/03/710288203.db2.gz XKBPAJSCXUYOTM-JYJNAYRXSA-N 2 1 334.464 1.903 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CC[C@H]3CCCCO3)C2)CC[N@H+]1C ZINC001032840092 710289225 /nfs/dbraw/zinc/28/92/25/710289225.db2.gz MBHDOMHXVJNTCB-WNRNVDISSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC[C@H]3CCCCO3)C2)CC[NH+]1C ZINC001032840092 710289226 /nfs/dbraw/zinc/28/92/26/710289226.db2.gz MBHDOMHXVJNTCB-WNRNVDISSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC[C@H]3CCCCO3)C2)CC[NH+]1C ZINC001032840092 710289228 /nfs/dbraw/zinc/28/92/28/710289228.db2.gz MBHDOMHXVJNTCB-WNRNVDISSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001034648751 710325276 /nfs/dbraw/zinc/32/52/76/710325276.db2.gz NPNPZPGMHIPFJV-BZUAXINKSA-N 2 1 347.463 1.237 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CCn3cccn3)CC2)CC[N@H+]1C ZINC001003493250 710376004 /nfs/dbraw/zinc/37/60/04/710376004.db2.gz UDWSSLOLKLKHMH-HOTGVXAUSA-N 2 1 333.480 1.194 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001003625261 710454366 /nfs/dbraw/zinc/45/43/66/710454366.db2.gz DLZLWPHDLTXSJO-CQSZACIVSA-N 2 1 348.491 1.968 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC001003626609 710455783 /nfs/dbraw/zinc/45/57/83/710455783.db2.gz SIGIOEXIEDKDCL-ZDUSSCGKSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC001003631194 710460212 /nfs/dbraw/zinc/46/02/12/710460212.db2.gz UCLMBSFEDHTGQN-HZPDHXFCSA-N 2 1 346.475 1.371 20 0 EDADMP C[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003668045 710480233 /nfs/dbraw/zinc/48/02/33/710480233.db2.gz VUSOPPKDLOESEA-IPELMVKDSA-N 2 1 345.487 1.293 20 0 EDADMP Cn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001034673408 710606941 /nfs/dbraw/zinc/60/69/41/710606941.db2.gz AFRBKJZHZFBIOF-JYJNAYRXSA-N 2 1 333.480 1.421 20 0 EDADMP CC[C@H](C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1)OC ZINC001005592393 710638512 /nfs/dbraw/zinc/63/85/12/710638512.db2.gz LOYLDXRQHMZART-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCn3cccn3)CC2)C1 ZINC001034734058 710915523 /nfs/dbraw/zinc/91/55/23/710915523.db2.gz IOTFOMYUDWBSBB-QAQDUYKDSA-N 2 1 347.507 1.632 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1 ZINC001034734667 710917440 /nfs/dbraw/zinc/91/74/40/710917440.db2.gz UYMIGIBQBMXKKI-KQTLUZQSSA-N 2 1 336.505 1.858 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(Cc2ccnc(Cl)c2)C1 ZINC001032944012 710918316 /nfs/dbraw/zinc/91/83/16/710918316.db2.gz HPIICEQKVONBJA-HUUCEWRRSA-N 2 1 336.867 1.862 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034738291 710953815 /nfs/dbraw/zinc/95/38/15/710953815.db2.gz SMFBNRJLIVTJIJ-BNEJOLLZSA-N 2 1 347.507 1.443 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001032960302 710968121 /nfs/dbraw/zinc/96/81/21/710968121.db2.gz QSUFCKOWNDKPRL-GJZGRUSLSA-N 2 1 339.871 1.163 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001032960302 710968123 /nfs/dbraw/zinc/96/81/23/710968123.db2.gz QSUFCKOWNDKPRL-GJZGRUSLSA-N 2 1 339.871 1.163 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCn2cc(Cl)cn2)C1 ZINC001032960302 710968124 /nfs/dbraw/zinc/96/81/24/710968124.db2.gz QSUFCKOWNDKPRL-GJZGRUSLSA-N 2 1 339.871 1.163 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCn2cc(Cl)cn2)C1 ZINC001032960302 710968126 /nfs/dbraw/zinc/96/81/26/710968126.db2.gz QSUFCKOWNDKPRL-GJZGRUSLSA-N 2 1 339.871 1.163 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC001032960638 710970500 /nfs/dbraw/zinc/97/05/00/710970500.db2.gz YCQQABQVWCLJLR-FUHWJXTLSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC001032960638 710970503 /nfs/dbraw/zinc/97/05/03/710970503.db2.gz YCQQABQVWCLJLR-FUHWJXTLSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC001032960638 710970507 /nfs/dbraw/zinc/97/05/07/710970507.db2.gz YCQQABQVWCLJLR-FUHWJXTLSA-N 2 1 349.450 1.831 20 0 EDADMP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1)C(N)=O ZINC001034751576 710979982 /nfs/dbraw/zinc/97/99/82/710979982.db2.gz ZFGJWIMROUYFEB-KKUMJFAQSA-N 2 1 349.479 1.287 20 0 EDADMP COCc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)cc1 ZINC001032969527 711048461 /nfs/dbraw/zinc/04/84/61/711048461.db2.gz XCELZDKVZOXHEI-MOPGFXCFSA-N 2 1 345.487 1.960 20 0 EDADMP COCc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001032969527 711048464 /nfs/dbraw/zinc/04/84/64/711048464.db2.gz XCELZDKVZOXHEI-MOPGFXCFSA-N 2 1 345.487 1.960 20 0 EDADMP COCc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001032969527 711048468 /nfs/dbraw/zinc/04/84/68/711048468.db2.gz XCELZDKVZOXHEI-MOPGFXCFSA-N 2 1 345.487 1.960 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001034775637 711049455 /nfs/dbraw/zinc/04/94/55/711049455.db2.gz FLIXAXUEBHTPHK-BZUAXINKSA-N 2 1 334.464 1.842 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccnc3)CC2)C1 ZINC001034796549 711128574 /nfs/dbraw/zinc/12/85/74/711128574.db2.gz BWWLZPFBVMMOGF-KZNAEPCWSA-N 2 1 346.475 1.319 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccnc3)CC2)C1 ZINC001034796549 711128575 /nfs/dbraw/zinc/12/85/75/711128575.db2.gz BWWLZPFBVMMOGF-KZNAEPCWSA-N 2 1 346.475 1.319 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001003974027 711131308 /nfs/dbraw/zinc/13/13/08/711131308.db2.gz HYGATZCQKYAEPE-OAHLLOKOSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)nc(C)[nH+]1 ZINC001061363942 711138475 /nfs/dbraw/zinc/13/84/75/711138475.db2.gz ALCJDAUKEDSMRP-GDBMZVCRSA-N 2 1 331.464 1.384 20 0 EDADMP CCc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)nc(C)[nH+]1 ZINC001061363942 711138476 /nfs/dbraw/zinc/13/84/76/711138476.db2.gz ALCJDAUKEDSMRP-GDBMZVCRSA-N 2 1 331.464 1.384 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](CCC3CCOCC3)CC2)C1 ZINC001003977124 711148278 /nfs/dbraw/zinc/14/82/78/711148278.db2.gz VMANPQASWMGZQS-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH2+]C[C@@H]3CCCOC3)cc2)C1 ZINC001034830780 711236710 /nfs/dbraw/zinc/23/67/10/711236710.db2.gz DJZGSUAXXFHBQH-RBUKOAKNSA-N 2 1 345.487 1.771 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC001034933897 711359073 /nfs/dbraw/zinc/35/90/73/711359073.db2.gz DLIYHEVHRAADFL-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001034953728 711418696 /nfs/dbraw/zinc/41/86/96/711418696.db2.gz HMUCDCPOZHFYAB-SJORKVTESA-N 2 1 333.480 1.375 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[nH]1 ZINC001034958656 711432172 /nfs/dbraw/zinc/43/21/72/711432172.db2.gz LZQZMSMVUGQCTL-JKSUJKDBSA-N 2 1 348.495 1.457 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[nH]1 ZINC001034958656 711432176 /nfs/dbraw/zinc/43/21/76/711432176.db2.gz LZQZMSMVUGQCTL-JKSUJKDBSA-N 2 1 348.495 1.457 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C1CC1)[NH+](C)C ZINC001034959386 711434476 /nfs/dbraw/zinc/43/44/76/711434476.db2.gz YGUGAZLPMQHNJJ-WBVHZDCISA-N 2 1 348.495 1.027 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034939879 711442751 /nfs/dbraw/zinc/44/27/51/711442751.db2.gz PUABAPJUAYDABX-DJIMGWMZSA-N 2 1 333.480 1.149 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1nnc(C)s1)[NH+](C)C ZINC001034971034 711450624 /nfs/dbraw/zinc/45/06/24/711450624.db2.gz BGTSWZSJWNFWPS-IACUBPJLSA-N 2 1 339.509 1.828 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc([C@H](C)O)s1)C2 ZINC000922391594 711456361 /nfs/dbraw/zinc/45/63/61/711456361.db2.gz WVYRJPUBSLCETN-GQJXAQPLSA-N 2 1 339.505 1.766 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(OC)n3)C2)[C@H]1C(C)C ZINC000922395579 711469048 /nfs/dbraw/zinc/46/90/48/711469048.db2.gz UAQIZZKNJMXOLM-KONPQCLYSA-N 2 1 334.464 1.445 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001004160365 711586061 /nfs/dbraw/zinc/58/60/61/711586061.db2.gz LVEYAZNAHQKBAB-MRXNPFEDSA-N 2 1 334.464 1.589 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001004186311 711620339 /nfs/dbraw/zinc/62/03/39/711620339.db2.gz ROQSJPOSJHPMKC-OAHLLOKOSA-N 2 1 345.434 1.333 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001004186311 711620341 /nfs/dbraw/zinc/62/03/41/711620341.db2.gz ROQSJPOSJHPMKC-OAHLLOKOSA-N 2 1 345.434 1.333 20 0 EDADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946623158 711921825 /nfs/dbraw/zinc/92/18/25/711921825.db2.gz FHNNGYDLIFEXAK-SCTDSRPQSA-N 2 1 349.519 1.556 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946623158 711921826 /nfs/dbraw/zinc/92/18/26/711921826.db2.gz FHNNGYDLIFEXAK-SCTDSRPQSA-N 2 1 349.519 1.556 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946623158 711921828 /nfs/dbraw/zinc/92/18/28/711921828.db2.gz FHNNGYDLIFEXAK-SCTDSRPQSA-N 2 1 349.519 1.556 20 0 EDADMP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623750 711925022 /nfs/dbraw/zinc/92/50/22/711925022.db2.gz PHESGLMMDGQLNW-IXDOHACOSA-N 2 1 333.480 1.004 20 0 EDADMP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623750 711925023 /nfs/dbraw/zinc/92/50/23/711925023.db2.gz PHESGLMMDGQLNW-IXDOHACOSA-N 2 1 333.480 1.004 20 0 EDADMP O=C([C@@H]1CCCc2nc[nH]c21)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004543447 711954302 /nfs/dbraw/zinc/95/43/02/711954302.db2.gz PGYSLLPJRRYNQQ-WBVHZDCISA-N 2 1 346.475 1.525 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3Cc3cnon3)CC2)C1 ZINC001004616954 712076827 /nfs/dbraw/zinc/07/68/27/712076827.db2.gz NICLKFUQUPEJDO-NVXWUHKLSA-N 2 1 347.463 1.224 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3Cc3cnon3)CC2)C1 ZINC001004616954 712076831 /nfs/dbraw/zinc/07/68/31/712076831.db2.gz NICLKFUQUPEJDO-NVXWUHKLSA-N 2 1 347.463 1.224 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3Cc3cnon3)CC2)C1 ZINC001004616954 712076833 /nfs/dbraw/zinc/07/68/33/712076833.db2.gz NICLKFUQUPEJDO-NVXWUHKLSA-N 2 1 347.463 1.224 20 0 EDADMP CO[C@@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004619020 712079713 /nfs/dbraw/zinc/07/97/13/712079713.db2.gz ZERPJRDTYBZPGT-YJBOKZPZSA-N 2 1 348.491 1.929 20 0 EDADMP CO[C@@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004619020 712079715 /nfs/dbraw/zinc/07/97/15/712079715.db2.gz ZERPJRDTYBZPGT-YJBOKZPZSA-N 2 1 348.491 1.929 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033153224 712174410 /nfs/dbraw/zinc/17/44/10/712174410.db2.gz UBQPASUWZBBDKY-QZTJIDSGSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033153224 712174411 /nfs/dbraw/zinc/17/44/11/712174411.db2.gz UBQPASUWZBBDKY-QZTJIDSGSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033153224 712174413 /nfs/dbraw/zinc/17/44/13/712174413.db2.gz UBQPASUWZBBDKY-QZTJIDSGSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033153224 712174414 /nfs/dbraw/zinc/17/44/14/712174414.db2.gz UBQPASUWZBBDKY-QZTJIDSGSA-N 2 1 347.507 1.716 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000052552946 214133548 /nfs/dbraw/zinc/13/35/48/214133548.db2.gz KFAJMFXZSTZCHB-GOSISDBHSA-N 2 1 345.491 1.830 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000332279120 282148252 /nfs/dbraw/zinc/14/82/52/282148252.db2.gz QYYCRZFINYVRIP-DLBZAZTESA-N 2 1 337.489 1.653 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173943082 231076512 /nfs/dbraw/zinc/07/65/12/231076512.db2.gz GKNFLZXXIYLSJW-HUUCEWRRSA-N 2 1 336.484 1.687 20 0 EDADMP CN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000560747008 306278441 /nfs/dbraw/zinc/27/84/41/306278441.db2.gz JDUZTOFADZPRPO-IRXDYDNUSA-N 2 1 337.533 1.899 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCC[N@H+]1C ZINC000333693248 539643283 /nfs/dbraw/zinc/64/32/83/539643283.db2.gz CRKYJEUVLHUXLX-KLZNWCGWSA-N 2 1 348.495 1.372 20 0 EDADMP CC(C)(O)[C@@H]1CCC[NH+]1CC1(C[N@@H+]2CCC[C@H]2C(C)(C)O)COC1 ZINC000248410283 539686933 /nfs/dbraw/zinc/68/69/33/539686933.db2.gz DBNHFLRNNVGKDA-HOTGVXAUSA-N 2 1 340.508 1.474 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339077054 539699363 /nfs/dbraw/zinc/69/93/63/539699363.db2.gz YTICPJAPNNIZSP-BPUTZDHNSA-N 2 1 337.489 1.872 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339077054 539699365 /nfs/dbraw/zinc/69/93/65/539699365.db2.gz YTICPJAPNNIZSP-BPUTZDHNSA-N 2 1 337.489 1.872 20 0 EDADMP COC1CC[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000150764537 539712561 /nfs/dbraw/zinc/71/25/61/539712561.db2.gz LEGHSICLAQHLSC-INIZCTEOSA-N 2 1 340.512 1.374 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000561464884 306287967 /nfs/dbraw/zinc/28/79/67/306287967.db2.gz XCPJLXSMKXPHCD-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000561464884 306287968 /nfs/dbraw/zinc/28/79/68/306287968.db2.gz XCPJLXSMKXPHCD-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCCC[C@@H]3CCO)cn2)CC1 ZINC000342820920 539764752 /nfs/dbraw/zinc/76/47/52/539764752.db2.gz IRORVDKCPPYWIQ-QGZVFWFLSA-N 2 1 333.480 1.355 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCCC[C@@H]3CCO)cn2)CC1 ZINC000342820920 539764758 /nfs/dbraw/zinc/76/47/58/539764758.db2.gz IRORVDKCPPYWIQ-QGZVFWFLSA-N 2 1 333.480 1.355 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCCC[C@H]3CCO)cn2)CC1 ZINC000342820919 539764778 /nfs/dbraw/zinc/76/47/78/539764778.db2.gz IRORVDKCPPYWIQ-KRWDZBQOSA-N 2 1 333.480 1.355 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCCC[C@H]3CCO)cn2)CC1 ZINC000342820919 539764782 /nfs/dbraw/zinc/76/47/82/539764782.db2.gz IRORVDKCPPYWIQ-KRWDZBQOSA-N 2 1 333.480 1.355 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000343018151 539776749 /nfs/dbraw/zinc/77/67/49/539776749.db2.gz VRHGIECXXRLNNV-CVEARBPZSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[NH+]1CCSCC1 ZINC000351905823 295820440 /nfs/dbraw/zinc/82/04/40/295820440.db2.gz WLFNVUHBVSKYGD-AWEZNQCLSA-N 2 1 328.526 1.407 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NCc2cccc(C[NH+](C)C(C)C)c2)[N@@H+](C)C1 ZINC000347020475 539862046 /nfs/dbraw/zinc/86/20/46/539862046.db2.gz YGQRJMQPHASJME-ROUUACIJSA-N 2 1 333.476 1.862 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)[NH+](C)C1 ZINC000347020475 539862050 /nfs/dbraw/zinc/86/20/50/539862050.db2.gz YGQRJMQPHASJME-ROUUACIJSA-N 2 1 333.476 1.862 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)[NH+](C)C1 ZINC000347020475 539862052 /nfs/dbraw/zinc/86/20/52/539862052.db2.gz YGQRJMQPHASJME-ROUUACIJSA-N 2 1 333.476 1.862 20 0 EDADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000562807303 306309715 /nfs/dbraw/zinc/30/97/15/306309715.db2.gz HDAAWBVUXUOJGJ-BRWVUGGUSA-N 2 1 336.480 1.166 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000562839298 306311047 /nfs/dbraw/zinc/31/10/47/306311047.db2.gz LGIHTQDPEXLOQM-WSTZPKSXSA-N 2 1 347.503 1.956 20 0 EDADMP COc1ccc([C@H](CN)C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000562839298 306311048 /nfs/dbraw/zinc/31/10/48/306311048.db2.gz LGIHTQDPEXLOQM-WSTZPKSXSA-N 2 1 347.503 1.956 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385723005 540188977 /nfs/dbraw/zinc/18/89/77/540188977.db2.gz NJHRGNZVNNWLTM-PKOBYXMFSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385723005 540188979 /nfs/dbraw/zinc/18/89/79/540188979.db2.gz NJHRGNZVNNWLTM-PKOBYXMFSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000563561395 306338965 /nfs/dbraw/zinc/33/89/65/306338965.db2.gz JBMYGCBMAPPJGT-RKVPGOIHSA-N 2 1 330.476 1.730 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000079167711 138260769 /nfs/dbraw/zinc/26/07/69/138260769.db2.gz LIAALUAGZIJIFH-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H]1CCC[N@H+](CCNC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000079167711 138260770 /nfs/dbraw/zinc/26/07/70/138260770.db2.gz LIAALUAGZIJIFH-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000079167711 138260771 /nfs/dbraw/zinc/26/07/71/138260771.db2.gz LIAALUAGZIJIFH-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP Cc1cccc(OCC[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000104069535 138299664 /nfs/dbraw/zinc/29/96/64/138299664.db2.gz GITMMQLQBIDGIK-SFHVURJKSA-N 2 1 331.460 1.788 20 0 EDADMP CN(CC(C)(C)C[NH3+])C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000563585339 306339982 /nfs/dbraw/zinc/33/99/82/306339982.db2.gz RLRYMWUROIJMEV-GJZGRUSLSA-N 2 1 326.485 1.256 20 0 EDADMP CCO[C@@H]1C[C@H]([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000093605297 138294030 /nfs/dbraw/zinc/29/40/30/138294030.db2.gz MMOWSWSLDMQLLQ-DLBZAZTESA-N 2 1 347.507 1.864 20 0 EDADMP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000093605297 138294031 /nfs/dbraw/zinc/29/40/31/138294031.db2.gz MMOWSWSLDMQLLQ-DLBZAZTESA-N 2 1 347.507 1.864 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NC3CC[NH+](C)CC3)CC2)cs1 ZINC000109363457 138305813 /nfs/dbraw/zinc/30/58/13/138305813.db2.gz KBIKRIKAPADICN-UHFFFAOYSA-N 2 1 336.505 1.874 20 0 EDADMP CC[N@H+](CCNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)C1CC1 ZINC000126139460 138337375 /nfs/dbraw/zinc/33/73/75/138337375.db2.gz OKMMVAVQEUXKGF-UHFFFAOYSA-N 2 1 333.480 1.869 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)C1CC1 ZINC000126139460 138337376 /nfs/dbraw/zinc/33/73/76/138337376.db2.gz OKMMVAVQEUXKGF-UHFFFAOYSA-N 2 1 333.480 1.869 20 0 EDADMP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)C(C)(C)C[NH+](C)C ZINC000133186672 138389375 /nfs/dbraw/zinc/38/93/75/138389375.db2.gz KNIGJLGBOCUVKK-ZDUSSCGKSA-N 2 1 346.475 1.663 20 0 EDADMP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)C(C)(C)C[NH+](C)C ZINC000133186672 138389376 /nfs/dbraw/zinc/38/93/76/138389376.db2.gz KNIGJLGBOCUVKK-ZDUSSCGKSA-N 2 1 346.475 1.663 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)NCC[NH+](C)C)CC2)cs1 ZINC000133659444 138396663 /nfs/dbraw/zinc/39/66/63/138396663.db2.gz DJQDDSQZJNYPQC-UHFFFAOYSA-N 2 1 339.509 1.524 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@H](C)CS(C)(=O)=O ZINC000344171094 283259737 /nfs/dbraw/zinc/25/97/37/283259737.db2.gz PDMYCLGQRRTKHR-INIZCTEOSA-N 2 1 333.542 1.017 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H](N)c2cscn2)CCN1CCOC ZINC000563814942 306348334 /nfs/dbraw/zinc/34/83/34/306348334.db2.gz YOYHJRIIFPDAEA-OCCSQVGLSA-N 2 1 326.466 1.102 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC2CC[NH2+]CC2)c1 ZINC000269257636 283324340 /nfs/dbraw/zinc/32/43/40/283324340.db2.gz UDYRBSHFEUDCMX-KRWDZBQOSA-N 2 1 344.459 1.465 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC2CC[NH2+]CC2)c1 ZINC000269257636 283324342 /nfs/dbraw/zinc/32/43/42/283324342.db2.gz UDYRBSHFEUDCMX-KRWDZBQOSA-N 2 1 344.459 1.465 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000565029103 306373201 /nfs/dbraw/zinc/37/32/01/306373201.db2.gz WMZSDUFNGDABLA-GJZGRUSLSA-N 2 1 344.459 1.401 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000565575992 306386636 /nfs/dbraw/zinc/38/66/36/306386636.db2.gz QOWMIYCQTXUERO-UYAOXDASSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000414695469 304128358 /nfs/dbraw/zinc/12/83/58/304128358.db2.gz GMHXUNDCEPKOLX-VBNZEHGJSA-N 2 1 330.432 1.388 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(CC[NH2+]C(C)(C)C)CC2)C1 ZINC000414696383 304128874 /nfs/dbraw/zinc/12/88/74/304128874.db2.gz PGQYQJWZKWAVSA-QGZVFWFLSA-N 2 1 326.529 1.101 20 0 EDADMP Cc1ccccc1OCCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414699505 304129244 /nfs/dbraw/zinc/12/92/44/304129244.db2.gz ILFYUNYQYVRVNO-QGZVFWFLSA-N 2 1 333.476 1.893 20 0 EDADMP C[N@@H+](CCCOc1ccc(F)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414703104 304129810 /nfs/dbraw/zinc/12/98/10/304129810.db2.gz LRWKSRSQWLFQQO-OAHLLOKOSA-N 2 1 337.439 1.724 20 0 EDADMP CCc1ccc([C@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCO2)cc1 ZINC000414759662 304137851 /nfs/dbraw/zinc/13/78/51/304137851.db2.gz WQWCLRFXQKMPQP-PKOBYXMFSA-N 2 1 345.487 1.820 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414829831 304145670 /nfs/dbraw/zinc/14/56/70/304145670.db2.gz LGJKKTVZVMBIHK-MRXNPFEDSA-N 2 1 332.448 1.465 20 0 EDADMP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)CC1 ZINC000414830398 304145758 /nfs/dbraw/zinc/14/57/58/304145758.db2.gz AZEYYCGGIBTUNR-GOEBONIOSA-N 2 1 341.496 1.530 20 0 EDADMP COCC[N@H+](C)CCNC(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000076971830 203368731 /nfs/dbraw/zinc/36/87/31/203368731.db2.gz GSZUMDGJWZXETA-KRWDZBQOSA-N 2 1 348.491 1.481 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000076971830 203368734 /nfs/dbraw/zinc/36/87/34/203368734.db2.gz GSZUMDGJWZXETA-KRWDZBQOSA-N 2 1 348.491 1.481 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000076971830 203368737 /nfs/dbraw/zinc/36/87/37/203368737.db2.gz GSZUMDGJWZXETA-KRWDZBQOSA-N 2 1 348.491 1.481 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000076971830 203368740 /nfs/dbraw/zinc/36/87/40/203368740.db2.gz GSZUMDGJWZXETA-KRWDZBQOSA-N 2 1 348.491 1.481 20 0 EDADMP CC(C)(C)C(=O)N1CCC(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000566982108 306435116 /nfs/dbraw/zinc/43/51/16/306435116.db2.gz QYKUCVOPMIZOFL-UHFFFAOYSA-N 2 1 333.480 1.816 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000415092641 304159315 /nfs/dbraw/zinc/15/93/15/304159315.db2.gz UBHQZPKDRRRCPA-MOPGFXCFSA-N 3 1 344.503 1.473 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000415092641 304159316 /nfs/dbraw/zinc/15/93/16/304159316.db2.gz UBHQZPKDRRRCPA-MOPGFXCFSA-N 2 1 344.503 1.473 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000415092641 304159318 /nfs/dbraw/zinc/15/93/18/304159318.db2.gz UBHQZPKDRRRCPA-MOPGFXCFSA-N 2 1 344.503 1.473 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000104145624 204099253 /nfs/dbraw/zinc/09/92/53/204099253.db2.gz CZXVOFGWSGIKIF-QGZVFWFLSA-N 2 1 345.491 1.324 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000415120955 304161763 /nfs/dbraw/zinc/16/17/63/304161763.db2.gz GVAXBCINCIGUFP-INIZCTEOSA-N 2 1 346.475 1.535 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3)C2)CC1 ZINC000107370277 204234940 /nfs/dbraw/zinc/23/49/40/204234940.db2.gz YEJSTHIMOFRLHV-ROUUACIJSA-N 2 1 333.476 1.138 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](C/C=C\c3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415142050 304164103 /nfs/dbraw/zinc/16/41/03/304164103.db2.gz QPCOYAUDTGUPKG-ZSKSOVMSSA-N 2 1 340.471 1.920 20 0 EDADMP [NH3+]CC1(O)CC[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000415146391 304164788 /nfs/dbraw/zinc/16/47/88/304164788.db2.gz YPVKHBZIBHJWOP-UHFFFAOYSA-N 2 1 347.440 1.824 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000236736073 139029906 /nfs/dbraw/zinc/02/99/06/139029906.db2.gz LCBWRPVVFKVUTJ-HZPDHXFCSA-N 2 1 333.480 1.082 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000236959848 139036549 /nfs/dbraw/zinc/03/65/49/139036549.db2.gz NWCRBCCSZJHQOG-GOSISDBHSA-N 2 1 330.476 1.050 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237067527 139039695 /nfs/dbraw/zinc/03/96/95/139039695.db2.gz HKUNUJZUJVOSBH-WMLDXEAASA-N 2 1 336.455 1.437 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NCC[C@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000237230680 139045125 /nfs/dbraw/zinc/04/51/25/139045125.db2.gz LETJKWUEISCHMK-MJGOQNOKSA-N 2 1 344.503 1.481 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC([N@@H+](C)CCCO)CC1 ZINC000115548213 205054178 /nfs/dbraw/zinc/05/41/78/205054178.db2.gz ZMDDVXPPCYGANV-IAGOWNOFSA-N 2 1 339.524 1.945 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000156401931 205084697 /nfs/dbraw/zinc/08/46/97/205084697.db2.gz LDPFJLYIBPUIQX-DJIMGWMZSA-N 2 1 325.497 1.709 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000157280147 205186532 /nfs/dbraw/zinc/18/65/32/205186532.db2.gz FUKFSPSZEDEWPW-NVXWUHKLSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237472813 139052045 /nfs/dbraw/zinc/05/20/45/139052045.db2.gz CGLFGJWJVYHHGK-QAPCUYQASA-N 2 1 331.460 1.523 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237472813 139052046 /nfs/dbraw/zinc/05/20/46/139052046.db2.gz CGLFGJWJVYHHGK-QAPCUYQASA-N 2 1 331.460 1.523 20 0 EDADMP COC(=O)c1ccccc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000130866993 205262333 /nfs/dbraw/zinc/26/23/33/205262333.db2.gz XSJLPYLDYGNJLP-UHFFFAOYSA-N 2 1 344.415 1.939 20 0 EDADMP COC(=O)c1ccccc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130866993 205262338 /nfs/dbraw/zinc/26/23/38/205262338.db2.gz XSJLPYLDYGNJLP-UHFFFAOYSA-N 2 1 344.415 1.939 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2)C[C@H](C)O1 ZINC000237628652 139056317 /nfs/dbraw/zinc/05/63/17/139056317.db2.gz RYUCVPIQUNQVBK-QWQRMKEZSA-N 2 1 331.460 1.763 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2)C[C@H](C)O1 ZINC000237628652 139056318 /nfs/dbraw/zinc/05/63/18/139056318.db2.gz RYUCVPIQUNQVBK-QWQRMKEZSA-N 2 1 331.460 1.763 20 0 EDADMP [NH3+]CC1(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000237778001 139060029 /nfs/dbraw/zinc/06/00/29/139060029.db2.gz SKLLVUNVHTWMHK-KRWDZBQOSA-N 2 1 331.460 1.665 20 0 EDADMP [NH3+]CC1(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000237778001 139060030 /nfs/dbraw/zinc/06/00/30/139060030.db2.gz SKLLVUNVHTWMHK-KRWDZBQOSA-N 2 1 331.460 1.665 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000237900157 139063231 /nfs/dbraw/zinc/06/32/31/139063231.db2.gz VTFUBJSBWXRHDI-ZWKOTPCHSA-N 2 1 331.460 1.653 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000111805291 220193608 /nfs/dbraw/zinc/19/36/08/220193608.db2.gz WHFDKLOCZIDKGN-IRXDYDNUSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000111805291 220193612 /nfs/dbraw/zinc/19/36/12/220193612.db2.gz WHFDKLOCZIDKGN-IRXDYDNUSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000111805291 220193616 /nfs/dbraw/zinc/19/36/16/220193616.db2.gz WHFDKLOCZIDKGN-IRXDYDNUSA-N 2 1 340.512 1.661 20 0 EDADMP CCN1CCO[C@H](C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000246064700 139093613 /nfs/dbraw/zinc/09/36/13/139093613.db2.gz BQZOJUQKHROOAK-NXHRZFHOSA-N 2 1 331.460 1.486 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246064700 139093614 /nfs/dbraw/zinc/09/36/14/139093614.db2.gz BQZOJUQKHROOAK-NXHRZFHOSA-N 2 1 331.460 1.486 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246064700 139093615 /nfs/dbraw/zinc/09/36/15/139093615.db2.gz BQZOJUQKHROOAK-NXHRZFHOSA-N 2 1 331.460 1.486 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000246064700 139093616 /nfs/dbraw/zinc/09/36/16/139093616.db2.gz BQZOJUQKHROOAK-NXHRZFHOSA-N 2 1 331.460 1.486 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCCN3CCOCC3(C)C)CC[C@H]21 ZINC000246554267 139112712 /nfs/dbraw/zinc/11/27/12/139112712.db2.gz BDNHGISRAPFIFG-JKSUJKDBSA-N 2 1 338.496 1.223 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000246921408 139127015 /nfs/dbraw/zinc/12/70/15/139127015.db2.gz GJYJVMRHQNIOPQ-HLLBOEOZSA-N 2 1 339.505 1.592 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000247046828 139132781 /nfs/dbraw/zinc/13/27/81/139132781.db2.gz SFTRLYWMFSJTBZ-CVEARBPZSA-N 2 1 336.480 1.515 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000247046828 139132782 /nfs/dbraw/zinc/13/27/82/139132782.db2.gz SFTRLYWMFSJTBZ-CVEARBPZSA-N 2 1 336.480 1.515 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000247046828 139132783 /nfs/dbraw/zinc/13/27/83/139132783.db2.gz SFTRLYWMFSJTBZ-CVEARBPZSA-N 2 1 336.480 1.515 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000247046828 139132784 /nfs/dbraw/zinc/13/27/84/139132784.db2.gz SFTRLYWMFSJTBZ-CVEARBPZSA-N 2 1 336.480 1.515 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCC[NH+]1C ZINC000248921883 139180793 /nfs/dbraw/zinc/18/07/93/139180793.db2.gz WTAHZMRIPROUPK-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000248921883 139180794 /nfs/dbraw/zinc/18/07/94/139180794.db2.gz WTAHZMRIPROUPK-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000248921883 139180795 /nfs/dbraw/zinc/18/07/95/139180795.db2.gz WTAHZMRIPROUPK-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112206445 220261535 /nfs/dbraw/zinc/26/15/35/220261535.db2.gz LPNOWDNXZROZRQ-OAHLLOKOSA-N 2 1 325.522 1.949 20 0 EDADMP CC(C)C[C@@H](CO)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249458092 139193562 /nfs/dbraw/zinc/19/35/62/139193562.db2.gz PZGSAYLEDYQPOS-ZWKOTPCHSA-N 2 1 335.492 1.744 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000249421356 139193107 /nfs/dbraw/zinc/19/31/07/139193107.db2.gz HMMCOSMOZRXRST-MOPGFXCFSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000249421356 139193108 /nfs/dbraw/zinc/19/31/08/139193108.db2.gz HMMCOSMOZRXRST-MOPGFXCFSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000249421356 139193109 /nfs/dbraw/zinc/19/31/09/139193109.db2.gz HMMCOSMOZRXRST-MOPGFXCFSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000249421356 139193110 /nfs/dbraw/zinc/19/31/10/139193110.db2.gz HMMCOSMOZRXRST-MOPGFXCFSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000249762424 139198292 /nfs/dbraw/zinc/19/82/92/139198292.db2.gz MHAXDGRRCRGDKV-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000249762424 139198293 /nfs/dbraw/zinc/19/82/93/139198293.db2.gz MHAXDGRRCRGDKV-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000249762424 139198294 /nfs/dbraw/zinc/19/82/94/139198294.db2.gz MHAXDGRRCRGDKV-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[N@@H+]1CCc2ccccc2C1 ZINC000251541340 139201672 /nfs/dbraw/zinc/20/16/72/139201672.db2.gz JKSLJKGBKOLHMR-AYOQOUSVSA-N 2 1 343.471 1.413 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[N@H+]1CCc2ccccc2C1 ZINC000251541340 139201673 /nfs/dbraw/zinc/20/16/73/139201673.db2.gz JKSLJKGBKOLHMR-AYOQOUSVSA-N 2 1 343.471 1.413 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCc2ccccc2C1 ZINC000251541340 139201674 /nfs/dbraw/zinc/20/16/74/139201674.db2.gz JKSLJKGBKOLHMR-AYOQOUSVSA-N 2 1 343.471 1.413 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCc2ccccc2C1 ZINC000251541340 139201675 /nfs/dbraw/zinc/20/16/75/139201675.db2.gz JKSLJKGBKOLHMR-AYOQOUSVSA-N 2 1 343.471 1.413 20 0 EDADMP COc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261645240 139214124 /nfs/dbraw/zinc/21/41/24/139214124.db2.gz IZOIHURTUKIRPM-FUHWJXTLSA-N 2 1 331.460 1.775 20 0 EDADMP O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000261783185 139225612 /nfs/dbraw/zinc/22/56/12/139225612.db2.gz YBPIDWOLUWETOJ-SFHVURJKSA-N 2 1 331.460 1.667 20 0 EDADMP Cc1cc(N2CCC(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)nc(C)[nH+]1 ZINC000261795407 139226768 /nfs/dbraw/zinc/22/67/68/139226768.db2.gz MEOLTKRCPSOLBB-GOEBONIOSA-N 2 1 331.464 1.696 20 0 EDADMP [NH3+][C@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000261831630 139229906 /nfs/dbraw/zinc/22/99/06/139229906.db2.gz QAMRBLQDVDGYBH-MOPGFXCFSA-N 2 1 345.487 1.911 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)O1 ZINC000261846967 139231085 /nfs/dbraw/zinc/23/10/85/139231085.db2.gz RBOQGFHZDGXDAB-SJORKVTESA-N 2 1 335.423 1.366 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)O1 ZINC000261846967 139231086 /nfs/dbraw/zinc/23/10/86/139231086.db2.gz RBOQGFHZDGXDAB-SJORKVTESA-N 2 1 335.423 1.366 20 0 EDADMP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000261851543 139231452 /nfs/dbraw/zinc/23/14/52/139231452.db2.gz QNCGUYRWTSOMEJ-CRAIPNDOSA-N 2 1 348.466 1.439 20 0 EDADMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000261854527 139231589 /nfs/dbraw/zinc/23/15/89/139231589.db2.gz JSVRJGLIRXZRBZ-SZMVWBNQSA-N 2 1 326.444 1.781 20 0 EDADMP C[C@H]([NH3+])CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000261899743 139235280 /nfs/dbraw/zinc/23/52/80/139235280.db2.gz UWIFZKWAJUYURK-BBRMVZONSA-N 2 1 332.448 1.529 20 0 EDADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1F ZINC000261883876 139233943 /nfs/dbraw/zinc/23/39/43/139233943.db2.gz FPTXMPKFOLTVHM-JQHSSLGASA-N 2 1 349.450 1.611 20 0 EDADMP O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000261939012 139238567 /nfs/dbraw/zinc/23/85/67/139238567.db2.gz ZXCJCIBBUOVJLH-KRWDZBQOSA-N 2 1 331.460 1.890 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000261959576 139240024 /nfs/dbraw/zinc/24/00/24/139240024.db2.gz OMMVKHMISUEZBI-ZDUSSCGKSA-N 2 1 325.840 1.506 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000261999471 139242834 /nfs/dbraw/zinc/24/28/34/139242834.db2.gz UXTCZFFUSWUGAP-CYBMUJFWSA-N 2 1 325.840 1.506 20 0 EDADMP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262110087 139251687 /nfs/dbraw/zinc/25/16/87/139251687.db2.gz KEKLWSWIMGTDBV-QUCCMNQESA-N 2 1 345.487 1.724 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCN2CCOCC2(C)C)C1 ZINC000174691727 207046016 /nfs/dbraw/zinc/04/60/16/207046016.db2.gz LLPLIWUJALWCJK-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000415977348 251043253 /nfs/dbraw/zinc/04/32/53/251043253.db2.gz XNLJTIUAIILBBS-KRWDZBQOSA-N 2 1 334.464 1.764 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1cccs1 ZINC000416441758 251069253 /nfs/dbraw/zinc/06/92/53/251069253.db2.gz WGAKQOQFEGFPKH-SWLSCSKDSA-N 2 1 328.457 1.694 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000416874328 251114185 /nfs/dbraw/zinc/11/41/85/251114185.db2.gz PMKFGYQBQMUPIX-ZWKOTPCHSA-N 2 1 348.491 1.656 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000417000500 251124867 /nfs/dbraw/zinc/12/48/67/251124867.db2.gz CXUJEWFEFPILDL-MAUKXSAKSA-N 2 1 330.476 1.956 20 0 EDADMP C[C@H]1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000416999309 251125249 /nfs/dbraw/zinc/12/52/49/251125249.db2.gz BXWFLCJZJZIABX-YJBOKZPZSA-N 2 1 330.476 1.814 20 0 EDADMP CC[NH2+]CCNC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000417026104 251139328 /nfs/dbraw/zinc/13/93/28/251139328.db2.gz RZGAFCALASDNKK-UHFFFAOYSA-N 2 1 347.507 1.103 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262360477 139273094 /nfs/dbraw/zinc/27/30/94/139273094.db2.gz VCWAZLYJDJLXJS-VRKREXBASA-N 2 1 337.489 1.624 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262360477 139273095 /nfs/dbraw/zinc/27/30/95/139273095.db2.gz VCWAZLYJDJLXJS-VRKREXBASA-N 2 1 337.489 1.624 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417574514 251194503 /nfs/dbraw/zinc/19/45/03/251194503.db2.gz ZECSTNVWTDXGNV-OKZBNKHCSA-N 2 1 346.475 1.152 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@@H+](C)Cc1ccccc1 ZINC000417596322 251202160 /nfs/dbraw/zinc/20/21/60/251202160.db2.gz ZUBWYRUHLRUEBD-LPHOPBHVSA-N 2 1 330.476 1.902 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCC2)[C@H](C)C1 ZINC000417666377 251219356 /nfs/dbraw/zinc/21/93/56/251219356.db2.gz CQKIIKLKBOHHOD-HUUCEWRRSA-N 2 1 326.485 1.304 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)C[NH2+]C)[C@H](C)C1 ZINC000417666389 251219425 /nfs/dbraw/zinc/21/94/25/251219425.db2.gz CRIGRHLNLCEKFQ-OAGGEKHMSA-N 2 1 328.501 1.278 20 0 EDADMP C[NH2+][C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000262457220 139280324 /nfs/dbraw/zinc/28/03/24/139280324.db2.gz WPWOPXACVJSJGT-GOSISDBHSA-N 2 1 341.459 1.461 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000417816056 251281028 /nfs/dbraw/zinc/28/10/28/251281028.db2.gz BZKYFBJIIMECEF-BQFCYCMXSA-N 2 1 330.476 1.900 20 0 EDADMP C[N@@H+](CCNC(=O)NCC1(C)CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000417817763 251282359 /nfs/dbraw/zinc/28/23/59/251282359.db2.gz DXJKOKRMQXUTGD-UHFFFAOYSA-N 2 1 336.455 1.946 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC000418106147 251322876 /nfs/dbraw/zinc/32/28/76/251322876.db2.gz MQTCUSBPNLVASB-WJFTUGDTSA-N 2 1 342.487 1.887 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CCCO1 ZINC000418109419 251325556 /nfs/dbraw/zinc/32/55/56/251325556.db2.gz CSOZWMODJRRWNP-BZUAXINKSA-N 2 1 326.485 1.304 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000418122873 251335038 /nfs/dbraw/zinc/33/50/38/251335038.db2.gz YCXYPKQQRDNBAZ-CABCVRRESA-N 2 1 329.448 1.463 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418319694 251359982 /nfs/dbraw/zinc/35/99/82/251359982.db2.gz PDOMCIMUZQNBPE-UHFFFAOYSA-N 2 1 340.512 1.648 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418345333 251362252 /nfs/dbraw/zinc/36/22/52/251362252.db2.gz SRTWZMVHPWVPTQ-QGZVFWFLSA-N 2 1 333.480 1.543 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418719835 251397195 /nfs/dbraw/zinc/39/71/95/251397195.db2.gz LEDVQIMZTJIXIR-JKSUJKDBSA-N 2 1 339.528 1.171 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418719835 251397198 /nfs/dbraw/zinc/39/71/98/251397198.db2.gz LEDVQIMZTJIXIR-JKSUJKDBSA-N 2 1 339.528 1.171 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1CCOC ZINC000418726373 251398646 /nfs/dbraw/zinc/39/86/46/251398646.db2.gz CRMJHYQYVAGIIE-HRCADAONSA-N 2 1 326.485 1.256 20 0 EDADMP Cc1cc(NC(=O)[C@H](C)[NH3+])n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000262577499 139287835 /nfs/dbraw/zinc/28/78/35/139287835.db2.gz PATDZNFWGTZGMB-GOEBONIOSA-N 2 1 327.432 1.924 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418626040 251380665 /nfs/dbraw/zinc/38/06/65/251380665.db2.gz KQFTXYJBTGZRKN-DOTOQJQBSA-N 2 1 333.480 1.685 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418679871 251384661 /nfs/dbraw/zinc/38/46/61/251384661.db2.gz BZHXZAOBRGGNEH-WCVJEAGWSA-N 2 1 326.485 1.397 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418679871 251384665 /nfs/dbraw/zinc/38/46/65/251384665.db2.gz BZHXZAOBRGGNEH-WCVJEAGWSA-N 2 1 326.485 1.397 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418687083 251385461 /nfs/dbraw/zinc/38/54/61/251385461.db2.gz LHETXLKGJKPYPH-NJAFHUGGSA-N 2 1 348.491 1.296 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176591506 207240906 /nfs/dbraw/zinc/24/09/06/207240906.db2.gz UMQSNKHQADZRMM-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000262719839 139298901 /nfs/dbraw/zinc/29/89/01/139298901.db2.gz YJOXMPZLRBSFJH-IBGZPJMESA-N 2 1 332.492 1.785 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000420662899 251743500 /nfs/dbraw/zinc/74/35/00/251743500.db2.gz BXPXFGNLGZDOIE-MRXNPFEDSA-N 2 1 340.512 1.070 20 0 EDADMP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000422899366 252016398 /nfs/dbraw/zinc/01/63/98/252016398.db2.gz HHJZVXKSXLLWSB-VQIMIIECSA-N 3 1 335.492 1.751 20 0 EDADMP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000422899366 252016401 /nfs/dbraw/zinc/01/64/01/252016401.db2.gz HHJZVXKSXLLWSB-VQIMIIECSA-N 3 1 335.492 1.751 20 0 EDADMP O=C(COC1CC[NH2+]CC1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000423354355 252050549 /nfs/dbraw/zinc/05/05/49/252050549.db2.gz NKAPHTZFMNQNKW-UHFFFAOYSA-N 2 1 347.459 1.268 20 0 EDADMP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423515387 252058525 /nfs/dbraw/zinc/05/85/25/252058525.db2.gz NDFHCNZSAHWGHC-MHTWAQMVSA-N 2 1 342.531 1.923 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000423868276 252099049 /nfs/dbraw/zinc/09/90/49/252099049.db2.gz HLCCAOYDZHPNMD-VUHPKUFZSA-N 2 1 335.492 1.335 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)[C@H](C)[NH3+] ZINC000423791142 252075257 /nfs/dbraw/zinc/07/52/57/252075257.db2.gz GYDNUUWLQHMGBF-SZMVWBNQSA-N 2 1 332.492 1.981 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424218154 252164710 /nfs/dbraw/zinc/16/47/10/252164710.db2.gz RBEKAMMRSSKHJW-INIZCTEOSA-N 2 1 325.497 1.853 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424130326 252134369 /nfs/dbraw/zinc/13/43/69/252134369.db2.gz DZPTVBDJDQQAHM-HUUCEWRRSA-N 2 1 334.468 1.197 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CCO)CC1 ZINC000426213985 252324798 /nfs/dbraw/zinc/32/47/98/252324798.db2.gz DNKQCOCOLFJCLZ-LJQANCHMSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2CCO)CC1 ZINC000426213985 252324801 /nfs/dbraw/zinc/32/48/01/252324801.db2.gz DNKQCOCOLFJCLZ-LJQANCHMSA-N 2 1 345.487 1.486 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000365781276 285015658 /nfs/dbraw/zinc/01/56/58/285015658.db2.gz CLWXOTSFCQZNEC-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP COCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000365781276 285015661 /nfs/dbraw/zinc/01/56/61/285015661.db2.gz CLWXOTSFCQZNEC-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP COCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000365781276 285015665 /nfs/dbraw/zinc/01/56/65/285015665.db2.gz CLWXOTSFCQZNEC-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2CC2)C[C@@H](C)C1 ZINC000458372315 285033503 /nfs/dbraw/zinc/03/35/03/285033503.db2.gz QQRZAENPBGHPOZ-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000458372315 285033506 /nfs/dbraw/zinc/03/35/06/285033506.db2.gz QQRZAENPBGHPOZ-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000458372315 285033508 /nfs/dbraw/zinc/03/35/08/285033508.db2.gz QQRZAENPBGHPOZ-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](C(C)C)CC1 ZINC000349912900 285033546 /nfs/dbraw/zinc/03/35/46/285033546.db2.gz GPPUXITXYHSKDU-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000349912900 285033548 /nfs/dbraw/zinc/03/35/48/285033548.db2.gz GPPUXITXYHSKDU-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000349912900 285033549 /nfs/dbraw/zinc/03/35/49/285033549.db2.gz GPPUXITXYHSKDU-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C[C@H]([NH3+])c3ccccc3)CC2)CCO1 ZINC000263365149 139338192 /nfs/dbraw/zinc/33/81/92/139338192.db2.gz VSSOYBMGPVTIBX-QAPCUYQASA-N 2 1 331.460 1.788 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC[C@H]1CCCO1 ZINC000337581026 285242862 /nfs/dbraw/zinc/24/28/62/285242862.db2.gz NUAYREZRRGJAIE-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ncc(C)cc1O ZINC000427103219 285250091 /nfs/dbraw/zinc/25/00/91/285250091.db2.gz VDDJIXAQSULJKJ-OAHLLOKOSA-N 2 1 334.464 1.584 20 0 EDADMP CN1C[C@@H](C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000495596911 255306892 /nfs/dbraw/zinc/30/68/92/255306892.db2.gz SOMIPKUFYUNABO-GOSISDBHSA-N 2 1 346.475 1.187 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418716556 285278290 /nfs/dbraw/zinc/27/82/90/285278290.db2.gz SDTWLFSOWGBMDK-KBPBESRZSA-N 3 1 349.470 1.026 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000179708750 285316152 /nfs/dbraw/zinc/31/61/52/285316152.db2.gz RXUBXJCHYIQZPG-SFHVURJKSA-N 2 1 346.519 1.651 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000179708750 285316153 /nfs/dbraw/zinc/31/61/53/285316153.db2.gz RXUBXJCHYIQZPG-SFHVURJKSA-N 2 1 346.519 1.651 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000179708750 285316154 /nfs/dbraw/zinc/31/61/54/285316154.db2.gz RXUBXJCHYIQZPG-SFHVURJKSA-N 2 1 346.519 1.651 20 0 EDADMP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000264268942 139391941 /nfs/dbraw/zinc/39/19/41/139391941.db2.gz HCCNIAMNOFWNHN-KRWDZBQOSA-N 2 1 348.491 1.563 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000415929400 304285898 /nfs/dbraw/zinc/28/58/98/304285898.db2.gz HZWODYVVGVVRKS-GASCZTMLSA-N 2 1 334.464 1.715 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000415929400 304285901 /nfs/dbraw/zinc/28/59/01/304285901.db2.gz HZWODYVVGVVRKS-GASCZTMLSA-N 2 1 334.464 1.715 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000271042269 140225929 /nfs/dbraw/zinc/22/59/29/140225929.db2.gz RFKMFLMMALBIMZ-IBGZPJMESA-N 2 1 345.487 1.715 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)CC2)c1=O ZINC000332407040 141176772 /nfs/dbraw/zinc/17/67/72/141176772.db2.gz YPNSIJVJUJHLLF-GDBMZVCRSA-N 2 1 333.480 1.162 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)CC2)c1=O ZINC000332407040 141176773 /nfs/dbraw/zinc/17/67/73/141176773.db2.gz YPNSIJVJUJHLLF-GDBMZVCRSA-N 2 1 333.480 1.162 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000333374663 141307928 /nfs/dbraw/zinc/30/79/28/141307928.db2.gz MXSJVSNBKGUWGZ-YESZJQIVSA-N 2 1 338.496 1.271 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000333531475 141332425 /nfs/dbraw/zinc/33/24/25/141332425.db2.gz HZOMYXISTZBPLK-BLLLJJGKSA-N 2 1 346.479 1.359 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000333785200 141381242 /nfs/dbraw/zinc/38/12/42/141381242.db2.gz LOKUUJFFTCXDNQ-ZWKOTPCHSA-N 2 1 343.475 1.754 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000333785200 141381243 /nfs/dbraw/zinc/38/12/43/141381243.db2.gz LOKUUJFFTCXDNQ-ZWKOTPCHSA-N 2 1 343.475 1.754 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)c3nccn3c2)C[C@H]1C ZINC000340324808 142341959 /nfs/dbraw/zinc/34/19/59/142341959.db2.gz KMUDXGIEKBNRNS-ZIAGYGMSSA-N 2 1 343.431 1.522 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)c3nccn3c2)C[C@H]1C ZINC000340324808 142341960 /nfs/dbraw/zinc/34/19/60/142341960.db2.gz KMUDXGIEKBNRNS-ZIAGYGMSSA-N 2 1 343.431 1.522 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCC[N@H+]1C ZINC000345013269 143039381 /nfs/dbraw/zinc/03/93/81/143039381.db2.gz QJSOBUQXFPYMIN-ZBFHGGJFSA-N 2 1 331.464 1.046 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CCC[N@H+]1C ZINC000345294380 143074297 /nfs/dbraw/zinc/07/42/97/143074297.db2.gz BQNHUQZVJRGRHN-CABCVRRESA-N 2 1 331.464 1.046 20 0 EDADMP C[NH+](C)CCOCCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000345967513 143152245 /nfs/dbraw/zinc/15/22/45/143152245.db2.gz UQQWUWFAMYWIQC-OAHLLOKOSA-N 2 1 327.856 1.637 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000346592607 143220042 /nfs/dbraw/zinc/22/00/42/143220042.db2.gz MYZXGXOKKQOWIK-QAPCUYQASA-N 2 1 331.460 1.589 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000346592607 143220043 /nfs/dbraw/zinc/22/00/43/143220043.db2.gz MYZXGXOKKQOWIK-QAPCUYQASA-N 2 1 331.460 1.589 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC(=O)N(C2CC2)[C@@H]1c1ccnn1C ZINC000346717976 143237189 /nfs/dbraw/zinc/23/71/89/143237189.db2.gz XBIUWXRMHBOJTA-PBHICJAKSA-N 2 1 328.420 1.019 20 0 EDADMP O=S(=O)(NC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000346842865 143250911 /nfs/dbraw/zinc/25/09/11/143250911.db2.gz JAUQBCQLTQUHTF-OAHLLOKOSA-N 2 1 337.489 1.429 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000347995691 143388978 /nfs/dbraw/zinc/38/89/78/143388978.db2.gz RZWIOONNUCLQPY-MRXNPFEDSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000416822238 304350315 /nfs/dbraw/zinc/35/03/15/304350315.db2.gz VJBFAXRAIFOFFW-UHFFFAOYSA-N 2 1 339.528 1.234 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC000370646243 286061993 /nfs/dbraw/zinc/06/19/93/286061993.db2.gz QZXWEOPZNJHVSF-NJAFHUGGSA-N 2 1 337.508 1.581 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000352572314 149069544 /nfs/dbraw/zinc/06/95/44/149069544.db2.gz GNXNFACDDSEPAB-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCC[C@H]2O)CC1 ZINC000352661720 149105636 /nfs/dbraw/zinc/10/56/36/149105636.db2.gz UWCGFFDXPYSVMY-NZSAHSFTSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCC[C@H]2O)CC1 ZINC000352661720 149105639 /nfs/dbraw/zinc/10/56/39/149105639.db2.gz UWCGFFDXPYSVMY-NZSAHSFTSA-N 2 1 345.487 1.737 20 0 EDADMP CCOC1CC(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)C1 ZINC000352872339 149197936 /nfs/dbraw/zinc/19/79/36/149197936.db2.gz MIKLXBVRXCPSCW-AQFXKWCLSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@H]1[C@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CCC[N@H+]1C ZINC000353211728 149326948 /nfs/dbraw/zinc/32/69/48/149326948.db2.gz UKZHETVNYKEUSZ-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H]1[C@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000353211728 149326951 /nfs/dbraw/zinc/32/69/51/149326951.db2.gz UKZHETVNYKEUSZ-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H]1[C@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000353211728 149326952 /nfs/dbraw/zinc/32/69/52/149326952.db2.gz UKZHETVNYKEUSZ-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CC=C(C(C)(C)C)CC2)C1 ZINC000354892175 150014704 /nfs/dbraw/zinc/01/47/04/150014704.db2.gz FUUQZEMYGFDUNA-KRWDZBQOSA-N 2 1 337.508 1.890 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)C1 ZINC000354892175 150014705 /nfs/dbraw/zinc/01/47/05/150014705.db2.gz FUUQZEMYGFDUNA-KRWDZBQOSA-N 2 1 337.508 1.890 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)C1 ZINC000354892175 150014708 /nfs/dbraw/zinc/01/47/08/150014708.db2.gz FUUQZEMYGFDUNA-KRWDZBQOSA-N 2 1 337.508 1.890 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000355349305 150227793 /nfs/dbraw/zinc/22/77/93/150227793.db2.gz NUWWJPQXAZYGKH-SFHVURJKSA-N 2 1 348.491 1.133 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000355349305 150227796 /nfs/dbraw/zinc/22/77/96/150227796.db2.gz NUWWJPQXAZYGKH-SFHVURJKSA-N 2 1 348.491 1.133 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000417030077 304362560 /nfs/dbraw/zinc/36/25/60/304362560.db2.gz WCAFZHVRJXUHNL-QGZVFWFLSA-N 2 1 347.507 1.101 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[NH+](C2CCC2)CC1)Cc1ccccc1 ZINC000355539358 150306265 /nfs/dbraw/zinc/30/62/65/150306265.db2.gz XIJGJONNOXTXPI-UHFFFAOYSA-N 2 1 330.476 1.998 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)[C@@H](C)C[N@H+]1CCO ZINC000417040480 304365163 /nfs/dbraw/zinc/36/51/63/304365163.db2.gz XWHJXJIYCDMRQL-CVEARBPZSA-N 2 1 348.491 1.710 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000357382393 151013675 /nfs/dbraw/zinc/01/36/75/151013675.db2.gz CGRZLNKMCXLALX-QRQLOZEOSA-N 2 1 344.503 1.574 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000357382393 151013677 /nfs/dbraw/zinc/01/36/77/151013677.db2.gz CGRZLNKMCXLALX-QRQLOZEOSA-N 2 1 344.503 1.574 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000357690369 151116151 /nfs/dbraw/zinc/11/61/51/151116151.db2.gz ONYVFOLLHNTBOA-KRWDZBQOSA-N 2 1 337.508 1.870 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000357690369 151116153 /nfs/dbraw/zinc/11/61/53/151116153.db2.gz ONYVFOLLHNTBOA-KRWDZBQOSA-N 2 1 337.508 1.870 20 0 EDADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000357871348 151179333 /nfs/dbraw/zinc/17/93/33/151179333.db2.gz OFGBHVDRQPSXJD-NEWSRXKRSA-N 2 1 344.503 1.492 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000357922784 151197903 /nfs/dbraw/zinc/19/79/03/151197903.db2.gz RIVBUODWTUKLFV-HZPDHXFCSA-N 2 1 327.517 1.040 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000357922784 151197907 /nfs/dbraw/zinc/19/79/07/151197907.db2.gz RIVBUODWTUKLFV-HZPDHXFCSA-N 2 1 327.517 1.040 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000357922784 151197908 /nfs/dbraw/zinc/19/79/08/151197908.db2.gz RIVBUODWTUKLFV-HZPDHXFCSA-N 2 1 327.517 1.040 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)CCN1CCOCC1)c1ccccc1 ZINC000358034054 151241351 /nfs/dbraw/zinc/24/13/51/151241351.db2.gz YHQBOFXVMKQXHD-FUHWJXTLSA-N 2 1 333.476 1.906 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000358226802 151311561 /nfs/dbraw/zinc/31/15/61/151311561.db2.gz CWZMOZOPUVOMKO-UHFFFAOYSA-N 2 1 326.485 1.082 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000358275247 151323282 /nfs/dbraw/zinc/32/32/82/151323282.db2.gz MYYLBIZGHSNVKU-GVDBMIGSSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000358275247 151323284 /nfs/dbraw/zinc/32/32/84/151323284.db2.gz MYYLBIZGHSNVKU-GVDBMIGSSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000358286594 151326500 /nfs/dbraw/zinc/32/65/00/151326500.db2.gz BEGYIGWBYKWXDW-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000358286594 151326503 /nfs/dbraw/zinc/32/65/03/151326503.db2.gz BEGYIGWBYKWXDW-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417115656 304373980 /nfs/dbraw/zinc/37/39/80/304373980.db2.gz PFGHADHCOHKBLP-HRCADAONSA-N 2 1 348.491 1.784 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417115656 304373982 /nfs/dbraw/zinc/37/39/82/304373982.db2.gz PFGHADHCOHKBLP-HRCADAONSA-N 2 1 348.491 1.784 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000417120104 304374281 /nfs/dbraw/zinc/37/42/81/304374281.db2.gz UYEUEHKHNFEBSY-AEGPPILISA-N 2 1 334.489 1.356 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000417120104 304374283 /nfs/dbraw/zinc/37/42/83/304374283.db2.gz UYEUEHKHNFEBSY-AEGPPILISA-N 2 1 334.489 1.356 20 0 EDADMP CC(C)Cc1ccc([C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000360562485 152097655 /nfs/dbraw/zinc/09/76/55/152097655.db2.gz RPSWZZGQRYTNBK-RTBURBONSA-N 2 1 347.503 1.935 20 0 EDADMP CC(C)Cc1ccc([C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000360562485 152097656 /nfs/dbraw/zinc/09/76/56/152097656.db2.gz RPSWZZGQRYTNBK-RTBURBONSA-N 2 1 347.503 1.935 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@H+]1C ZINC000360743693 152180839 /nfs/dbraw/zinc/18/08/39/152180839.db2.gz FYCHPTGPIJPVSQ-IJEWVQPXSA-N 2 1 328.526 1.548 20 0 EDADMP O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000361105503 152306527 /nfs/dbraw/zinc/30/65/27/152306527.db2.gz GZSUCOCQDHAXAD-QRVBRYPASA-N 2 1 343.471 1.392 20 0 EDADMP O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000361105503 152306529 /nfs/dbraw/zinc/30/65/29/152306529.db2.gz GZSUCOCQDHAXAD-QRVBRYPASA-N 2 1 343.471 1.392 20 0 EDADMP OC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000361441419 152396415 /nfs/dbraw/zinc/39/64/15/152396415.db2.gz ACHBIXOFPDVRFI-RBUKOAKNSA-N 2 1 336.451 1.962 20 0 EDADMP Cn1ccc(N2CCC[C@H]([N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)C2=O)n1 ZINC000363576694 153004330 /nfs/dbraw/zinc/00/43/30/153004330.db2.gz BZBKHGXIUFLNLR-YVSFHVDLSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1ccc(N2CCC[C@H]([N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)C2=O)n1 ZINC000363576694 153004332 /nfs/dbraw/zinc/00/43/32/153004332.db2.gz BZBKHGXIUFLNLR-YVSFHVDLSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1ccc(N2CCC[C@H]([NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)C2=O)n1 ZINC000363576694 153004334 /nfs/dbraw/zinc/00/43/34/153004334.db2.gz BZBKHGXIUFLNLR-YVSFHVDLSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1ccc(N2CCC[C@H]([NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)C2=O)n1 ZINC000363576694 153004336 /nfs/dbraw/zinc/00/43/36/153004336.db2.gz BZBKHGXIUFLNLR-YVSFHVDLSA-N 2 1 343.475 1.332 20 0 EDADMP CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000364089132 153142801 /nfs/dbraw/zinc/14/28/01/153142801.db2.gz AEDJHWOHRHAUEP-BJJXKVORSA-N 2 1 333.480 1.955 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)cc1F ZINC000364143638 153154873 /nfs/dbraw/zinc/15/48/73/153154873.db2.gz HTFOXLJYVGWQDJ-VHSXEESVSA-N 2 1 333.367 1.554 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000364158445 153159210 /nfs/dbraw/zinc/15/92/10/153159210.db2.gz CQYOQDGOFMWMMX-ROUUACIJSA-N 2 1 330.476 1.233 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000364163388 153160790 /nfs/dbraw/zinc/16/07/90/153160790.db2.gz XQTVCKPONBGOPI-OWCLPIDISA-N 2 1 333.480 1.865 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000364163388 153160792 /nfs/dbraw/zinc/16/07/92/153160792.db2.gz XQTVCKPONBGOPI-OWCLPIDISA-N 2 1 333.480 1.865 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000364249811 153186223 /nfs/dbraw/zinc/18/62/23/153186223.db2.gz MCHYVCOKMNIQBG-BZUAXINKSA-N 2 1 325.497 1.770 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000364724388 153314564 /nfs/dbraw/zinc/31/45/64/153314564.db2.gz OQOUKHSBFUQRNI-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000364724388 153314567 /nfs/dbraw/zinc/31/45/67/153314567.db2.gz OQOUKHSBFUQRNI-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000417218406 304385455 /nfs/dbraw/zinc/38/54/55/304385455.db2.gz GPMJZWMYYXQRSH-OCCSQVGLSA-N 2 1 326.391 1.715 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000417218406 304385458 /nfs/dbraw/zinc/38/54/58/304385458.db2.gz GPMJZWMYYXQRSH-OCCSQVGLSA-N 2 1 326.391 1.715 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000417226281 304385769 /nfs/dbraw/zinc/38/57/69/304385769.db2.gz ZLJXQSIELQYISH-TWMKSMIVSA-N 2 1 336.524 1.994 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)cc1F ZINC000417279144 304389023 /nfs/dbraw/zinc/38/90/23/304389023.db2.gz LKWRLPFCQIBMCE-AWEZNQCLSA-N 2 1 331.395 1.871 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC2CC[NH2+]CC2)cc1F ZINC000417277982 304388836 /nfs/dbraw/zinc/38/88/36/304388836.db2.gz IZRIJDHHZQBWHY-UHFFFAOYSA-N 2 1 331.395 1.871 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000367082649 154002600 /nfs/dbraw/zinc/00/26/00/154002600.db2.gz ZLBITMWLSQVRRA-IXDOHACOSA-N 2 1 336.480 1.119 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000367082649 154002602 /nfs/dbraw/zinc/00/26/02/154002602.db2.gz ZLBITMWLSQVRRA-IXDOHACOSA-N 2 1 336.480 1.119 20 0 EDADMP C[N@H+](C[C@@H]1CC12CC[NH+](CC(=O)NCC(F)(F)F)CC2)C1CC1 ZINC000367309761 154073745 /nfs/dbraw/zinc/07/37/45/154073745.db2.gz JZMMVKBMXBOYPT-LBPRGKRZSA-N 2 1 333.398 1.861 20 0 EDADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CC(=O)NCC(F)(F)F)CC2)C1CC1 ZINC000367309761 154073747 /nfs/dbraw/zinc/07/37/47/154073747.db2.gz JZMMVKBMXBOYPT-LBPRGKRZSA-N 2 1 333.398 1.861 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000368069029 154394389 /nfs/dbraw/zinc/39/43/89/154394389.db2.gz DDVNTTISEKXMIC-WMZOPIPTSA-N 2 1 337.508 1.865 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000368069029 154394392 /nfs/dbraw/zinc/39/43/92/154394392.db2.gz DDVNTTISEKXMIC-WMZOPIPTSA-N 2 1 337.508 1.865 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000370611602 155578599 /nfs/dbraw/zinc/57/85/99/155578599.db2.gz BWCDWVOXHLMRIJ-LJQANCHMSA-N 2 1 327.472 1.715 20 0 EDADMP COCCCN(C(=O)[C@@H](C)[NH+]1CCSCC1)C1CC[NH+](C)CC1 ZINC000362344735 292326649 /nfs/dbraw/zinc/32/66/49/292326649.db2.gz IKSDDABZHBYSNA-OAHLLOKOSA-N 2 1 343.537 1.383 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000371675443 156058015 /nfs/dbraw/zinc/05/80/15/156058015.db2.gz HLXQZAJGTBQYBO-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371675443 156058019 /nfs/dbraw/zinc/05/80/19/156058019.db2.gz HLXQZAJGTBQYBO-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371675443 156058022 /nfs/dbraw/zinc/05/80/22/156058022.db2.gz HLXQZAJGTBQYBO-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371675443 156058025 /nfs/dbraw/zinc/05/80/25/156058025.db2.gz HLXQZAJGTBQYBO-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371675443 156058028 /nfs/dbraw/zinc/05/80/28/156058028.db2.gz HLXQZAJGTBQYBO-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)[C@]1([NH+](C)C)CCOc2ccccc21 ZINC000371750096 156090966 /nfs/dbraw/zinc/09/09/66/156090966.db2.gz ZBAISKBFCRNNTK-IBGZPJMESA-N 2 1 333.476 1.930 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000371905439 156160722 /nfs/dbraw/zinc/16/07/22/156160722.db2.gz AXTBIXWNLQHDMO-OAHLLOKOSA-N 2 1 335.452 1.410 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000371905439 156160724 /nfs/dbraw/zinc/16/07/24/156160724.db2.gz AXTBIXWNLQHDMO-OAHLLOKOSA-N 2 1 335.452 1.410 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000371905439 156160727 /nfs/dbraw/zinc/16/07/27/156160727.db2.gz AXTBIXWNLQHDMO-OAHLLOKOSA-N 2 1 335.452 1.410 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000372004365 156205592 /nfs/dbraw/zinc/20/55/92/156205592.db2.gz PUWNYHPOUJCDGL-ULQDDVLXSA-N 2 1 340.512 1.659 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000372004365 156205597 /nfs/dbraw/zinc/20/55/97/156205597.db2.gz PUWNYHPOUJCDGL-ULQDDVLXSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)CN1CCOCC1 ZINC000372045926 156223800 /nfs/dbraw/zinc/22/38/00/156223800.db2.gz ICQRMNLYLIBUQH-NCXUSEDFSA-N 2 1 339.524 1.434 20 0 EDADMP C[C@H]1C[C@H]([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)CC[N@@H+]1C ZINC000372056737 156227815 /nfs/dbraw/zinc/22/78/15/156227815.db2.gz VPWAUFNLTNFFFL-JWMHWRSXSA-N 2 1 329.510 1.405 20 0 EDADMP C[C@H]1C[C@H]([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)CC[N@H+]1C ZINC000372056737 156227817 /nfs/dbraw/zinc/22/78/17/156227817.db2.gz VPWAUFNLTNFFFL-JWMHWRSXSA-N 2 1 329.510 1.405 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)NC(=O)NCc3ccco3)C2)CC1 ZINC000374074558 157132341 /nfs/dbraw/zinc/13/23/41/157132341.db2.gz LMLFWWAHHZYNCJ-UHFFFAOYSA-N 2 1 348.447 1.413 20 0 EDADMP CCOC(=O)c1ccc(N2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)nc1 ZINC000374252872 157213310 /nfs/dbraw/zinc/21/33/10/157213310.db2.gz AUBOGPRSEDIFIM-HNNXBMFYSA-N 2 1 346.475 1.863 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377880920 158018318 /nfs/dbraw/zinc/01/83/18/158018318.db2.gz UDUICXGFDWRXHX-CVEARBPZSA-N 2 1 335.452 1.134 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377880920 158018320 /nfs/dbraw/zinc/01/83/20/158018320.db2.gz UDUICXGFDWRXHX-CVEARBPZSA-N 2 1 335.452 1.134 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000378200728 158106414 /nfs/dbraw/zinc/10/64/14/158106414.db2.gz MGJZYAJBWLAPKT-QZTJIDSGSA-N 2 1 330.476 1.315 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000347519191 161784655 /nfs/dbraw/zinc/78/46/55/161784655.db2.gz DEOIVMUAQLFQRM-HZPDHXFCSA-N 2 1 338.496 1.223 20 0 EDADMP CC[NH+]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352139580 162005890 /nfs/dbraw/zinc/00/58/90/162005890.db2.gz FVTWVTOKTOYBCX-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000352208458 162050608 /nfs/dbraw/zinc/05/06/08/162050608.db2.gz OAHIZMVNLHNISZ-INIZCTEOSA-N 2 1 328.501 1.328 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCOCC[NH+](CC)CC ZINC000352209005 162052226 /nfs/dbraw/zinc/05/22/26/162052226.db2.gz XPOZNXRAVOJREY-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1OC ZINC000352520115 162226850 /nfs/dbraw/zinc/22/68/50/162226850.db2.gz VJUVQMJZVZXWHC-INIZCTEOSA-N 2 1 349.475 1.566 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1OC ZINC000352520115 162226852 /nfs/dbraw/zinc/22/68/52/162226852.db2.gz VJUVQMJZVZXWHC-INIZCTEOSA-N 2 1 349.475 1.566 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000353496326 162262712 /nfs/dbraw/zinc/26/27/12/162262712.db2.gz AKAWTHMKKBQEJB-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000364231802 162321508 /nfs/dbraw/zinc/32/15/08/162321508.db2.gz REKDGWUYNDMWFW-INIZCTEOSA-N 2 1 344.459 1.218 20 0 EDADMP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000364231802 162321512 /nfs/dbraw/zinc/32/15/12/162321512.db2.gz REKDGWUYNDMWFW-INIZCTEOSA-N 2 1 344.459 1.218 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000364477062 162331299 /nfs/dbraw/zinc/33/12/99/162331299.db2.gz AENLJYWTYYTVAF-OAHLLOKOSA-N 2 1 327.432 1.972 20 0 EDADMP CCCCOC[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000365171897 162351096 /nfs/dbraw/zinc/35/10/96/162351096.db2.gz SMRSYZJTFJYDOV-MSOLQXFVSA-N 2 1 327.513 1.264 20 0 EDADMP CCCCOC[C@@H](O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000366138297 162369723 /nfs/dbraw/zinc/36/97/23/162369723.db2.gz GPZIJXAUTSIRGZ-AEFFLSMTSA-N 2 1 327.513 1.264 20 0 EDADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486964373 287157585 /nfs/dbraw/zinc/15/75/85/287157585.db2.gz HURWXWAEOUHXDV-RVKKMQEKSA-N 2 1 330.476 1.921 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)c1 ZINC000120599583 287362249 /nfs/dbraw/zinc/36/22/49/287362249.db2.gz UTDIICQSWXTPKW-HOTGVXAUSA-N 2 1 343.475 1.847 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)CC2)c1 ZINC000120599583 287362250 /nfs/dbraw/zinc/36/22/50/287362250.db2.gz UTDIICQSWXTPKW-HOTGVXAUSA-N 2 1 343.475 1.847 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3C[NH2+]CCO3)c2)C[C@@H](C)O1 ZINC000237426223 273010151 /nfs/dbraw/zinc/01/01/51/273010151.db2.gz KYPOMHDVNSESIH-CPUCHLNUSA-N 2 1 333.432 1.223 20 0 EDADMP C[NH+]1CC=C(CNc2cc(NCC3=CC[N@@H+](C)CC3)ncn2)CC1 ZINC000274797327 268208864 /nfs/dbraw/zinc/20/88/64/268208864.db2.gz ZXHOSRKZXPPQOQ-UHFFFAOYSA-N 2 1 328.464 1.824 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000275380145 268333550 /nfs/dbraw/zinc/33/35/50/268333550.db2.gz BBBKQEQHGNUPLQ-QGZVFWFLSA-N 2 1 345.487 1.424 20 0 EDADMP COC1(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CCOCC1 ZINC000277114039 273180095 /nfs/dbraw/zinc/18/00/95/273180095.db2.gz XYDWOHCBZSAINY-SFHVURJKSA-N 2 1 334.460 1.538 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCc3ccccc3NC2=O)CC1 ZINC000248893701 274267905 /nfs/dbraw/zinc/26/79/05/274267905.db2.gz SUOWNQZEWDRLLO-BEFAXECRSA-N 2 1 345.487 1.965 20 0 EDADMP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000364818520 275392383 /nfs/dbraw/zinc/39/23/83/275392383.db2.gz ZIQNBPWKDYLFPU-WJFTUGDTSA-N 2 1 349.519 1.330 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2OC(F)F)CC1 ZINC000337438323 276191289 /nfs/dbraw/zinc/19/12/89/276191289.db2.gz XKNDWHGALMYIEE-IHRRRGAJSA-N 2 1 333.423 1.679 20 0 EDADMP CCC[C@@]1(C(=O)OCC)CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414754890 276280085 /nfs/dbraw/zinc/28/00/85/276280085.db2.gz GOLLMKQCNABSDC-YJBOKZPZSA-N 2 1 339.480 1.382 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000420129786 276306306 /nfs/dbraw/zinc/30/63/06/276306306.db2.gz QBVSZDHOAPTQET-ZBFHGGJFSA-N 2 1 346.475 1.123 20 0 EDADMP C[N@@H+]([C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1Cc2ccccc2[C@H]1O ZINC000371473191 277002365 /nfs/dbraw/zinc/00/23/65/277002365.db2.gz LXBJHDKPZBSEGF-YSIASYRMSA-N 2 1 329.488 1.745 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000359997378 277140922 /nfs/dbraw/zinc/14/09/22/277140922.db2.gz JHACSDSWZCFRQI-OLMNPRSZSA-N 2 1 328.460 1.909 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000359997378 277140923 /nfs/dbraw/zinc/14/09/23/277140923.db2.gz JHACSDSWZCFRQI-OLMNPRSZSA-N 2 1 328.460 1.909 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)[C@H]2C1 ZINC000359997378 277140924 /nfs/dbraw/zinc/14/09/24/277140924.db2.gz JHACSDSWZCFRQI-OLMNPRSZSA-N 2 1 328.460 1.909 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)[C@H]2C1 ZINC000359997378 277140926 /nfs/dbraw/zinc/14/09/26/277140926.db2.gz JHACSDSWZCFRQI-OLMNPRSZSA-N 2 1 328.460 1.909 20 0 EDADMP CS(=O)(=O)N1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000329164929 278110258 /nfs/dbraw/zinc/11/02/58/278110258.db2.gz HCCLFDVTFJQHGT-INIZCTEOSA-N 2 1 343.537 1.797 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417021865 278230142 /nfs/dbraw/zinc/23/01/42/278230142.db2.gz NTPKXIIHQMPFDJ-WMZOPIPTSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000417021865 278230144 /nfs/dbraw/zinc/23/01/44/278230144.db2.gz NTPKXIIHQMPFDJ-WMZOPIPTSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000417021865 278230145 /nfs/dbraw/zinc/23/01/45/278230145.db2.gz NTPKXIIHQMPFDJ-WMZOPIPTSA-N 2 1 347.507 1.402 20 0 EDADMP CC[N@H+]1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000286548680 288032166 /nfs/dbraw/zinc/03/21/66/288032166.db2.gz ONELIUVFCDPRBF-SFHVURJKSA-N 2 1 344.503 1.357 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000424045067 278350803 /nfs/dbraw/zinc/35/08/03/278350803.db2.gz STYMWPMLZFXEFO-QZTJIDSGSA-N 2 1 349.519 1.866 20 0 EDADMP C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)[C@@H]1C ZINC000336868415 278499680 /nfs/dbraw/zinc/49/96/80/278499680.db2.gz SEHAOPSKKMYEDY-BFYDXBDKSA-N 2 1 325.497 1.757 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000363475447 279045514 /nfs/dbraw/zinc/04/55/14/279045514.db2.gz WRGBJOFNUSCKMF-KURKYZTESA-N 2 1 331.460 1.659 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000363475447 279045516 /nfs/dbraw/zinc/04/55/16/279045516.db2.gz WRGBJOFNUSCKMF-KURKYZTESA-N 2 1 331.460 1.659 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000363475447 279045517 /nfs/dbraw/zinc/04/55/17/279045517.db2.gz WRGBJOFNUSCKMF-KURKYZTESA-N 2 1 331.460 1.659 20 0 EDADMP C[NH+]1CCC([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000286864867 288107871 /nfs/dbraw/zinc/10/78/71/288107871.db2.gz BIXMVZYOCFKZQA-CQSZACIVSA-N 2 1 343.518 1.585 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc2F)CC1 ZINC000346159690 279373891 /nfs/dbraw/zinc/37/38/91/279373891.db2.gz LTCOUTOSRRQCHS-AWEZNQCLSA-N 2 1 336.455 1.648 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360756982 280009977 /nfs/dbraw/zinc/00/99/77/280009977.db2.gz WRKQAERYWMUENN-HOCLYGCPSA-N 2 1 328.526 1.405 20 0 EDADMP CC[C@@H](CO)[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000338299587 280147467 /nfs/dbraw/zinc/14/74/67/280147467.db2.gz XIPDOEOHABXWFX-SFHVURJKSA-N 2 1 333.476 1.424 20 0 EDADMP CC[C@@H](CO)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000338299587 280147470 /nfs/dbraw/zinc/14/74/70/280147470.db2.gz XIPDOEOHABXWFX-SFHVURJKSA-N 2 1 333.476 1.424 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000357652879 280246420 /nfs/dbraw/zinc/24/64/20/280246420.db2.gz RHSAPBRYHUWSFC-HOTGVXAUSA-N 2 1 328.501 1.371 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000357652879 280246425 /nfs/dbraw/zinc/24/64/25/280246425.db2.gz RHSAPBRYHUWSFC-HOTGVXAUSA-N 2 1 328.501 1.371 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000287478786 288246513 /nfs/dbraw/zinc/24/65/13/288246513.db2.gz WSQKQDNCHZTKCK-RDJZCZTQSA-N 2 1 336.480 1.555 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000287665812 288289300 /nfs/dbraw/zinc/28/93/00/288289300.db2.gz VNDRSXLAKGFTQH-CABCVRRESA-N 2 1 327.428 1.889 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[nH+]c1 ZINC000291656436 289140096 /nfs/dbraw/zinc/14/00/96/289140096.db2.gz OHOWPKGDRGMWEP-SFHVURJKSA-N 2 1 331.464 1.929 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)[nH+]c1 ZINC000291656436 289140097 /nfs/dbraw/zinc/14/00/97/289140097.db2.gz OHOWPKGDRGMWEP-SFHVURJKSA-N 2 1 331.464 1.929 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000291724737 289161936 /nfs/dbraw/zinc/16/19/36/289161936.db2.gz HRWXEKGAITXYMX-ZHALLVOQSA-N 2 1 344.503 1.402 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000291724737 289161938 /nfs/dbraw/zinc/16/19/38/289161938.db2.gz HRWXEKGAITXYMX-ZHALLVOQSA-N 2 1 344.503 1.402 20 0 EDADMP c1cnn([C@@H]2CC[NH+](CCOCC[N@H+]3CC[C@H](n4cccn4)C3)C2)c1 ZINC000292024874 289242036 /nfs/dbraw/zinc/24/20/36/289242036.db2.gz YOGCRYUMWPEHBR-HDICACEKSA-N 2 1 344.463 1.290 20 0 EDADMP c1cnn([C@@H]2CC[N@@H+](CCOCC[NH+]3CC[C@H](n4cccn4)C3)C2)c1 ZINC000292024874 289242037 /nfs/dbraw/zinc/24/20/37/289242037.db2.gz YOGCRYUMWPEHBR-HDICACEKSA-N 2 1 344.463 1.290 20 0 EDADMP c1cnn([C@@H]2CC[N@H+](CCOCC[NH+]3CC[C@H](n4cccn4)C3)C2)c1 ZINC000292024874 289242038 /nfs/dbraw/zinc/24/20/38/289242038.db2.gz YOGCRYUMWPEHBR-HDICACEKSA-N 2 1 344.463 1.290 20 0 EDADMP O=C(CC[C@H]1CCC[NH2+]1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000292046660 289247530 /nfs/dbraw/zinc/24/75/30/289247530.db2.gz ISVXUKODBMFWOT-GOSISDBHSA-N 2 1 331.460 1.667 20 0 EDADMP C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292214380 289291201 /nfs/dbraw/zinc/29/12/01/289291201.db2.gz UKGLKWFIJBPZRA-HNAYVOBHSA-N 2 1 333.451 1.901 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H](CC[NH3+])C(F)F)C[C@H](C)O1 ZINC000418710074 297015449 /nfs/dbraw/zinc/01/54/49/297015449.db2.gz LFVBIQSVXAPJET-CRWXNKLISA-N 2 1 348.438 1.252 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H](CC[NH3+])C(F)F)C[C@H](C)O1 ZINC000418710074 297015451 /nfs/dbraw/zinc/01/54/51/297015451.db2.gz LFVBIQSVXAPJET-CRWXNKLISA-N 2 1 348.438 1.252 20 0 EDADMP [NH3+]CC[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(F)F ZINC000418701254 295238500 /nfs/dbraw/zinc/23/85/00/295238500.db2.gz ADQGBBBFRZEXOT-UBHSHLNASA-N 2 1 330.423 1.627 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000339550137 297275974 /nfs/dbraw/zinc/27/59/74/297275974.db2.gz ZOOVXCVQXOGVJJ-HYVNUMGLSA-N 2 1 334.508 1.985 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000658687001 453272732 /nfs/dbraw/zinc/27/27/32/453272732.db2.gz OJTPJJLCEDMROY-OAHLLOKOSA-N 2 1 340.512 1.166 20 0 EDADMP CC(C)(CCC[NH3+])NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000293752280 303013294 /nfs/dbraw/zinc/01/32/94/303013294.db2.gz WIBJGTCVDDHQLW-KRWDZBQOSA-N 2 1 333.476 1.911 20 0 EDADMP CC(C)(CCC[NH3+])NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000293752280 303013296 /nfs/dbraw/zinc/01/32/96/303013296.db2.gz WIBJGTCVDDHQLW-KRWDZBQOSA-N 2 1 333.476 1.911 20 0 EDADMP Cn1nccc1[C@@H]1[C@H]([NH2+]C2CC[NH+](C)CC2)CCC(=O)N1C1CC1 ZINC000344994502 303085806 /nfs/dbraw/zinc/08/58/06/303085806.db2.gz BSAMCOCIOCTGEA-QAPCUYQASA-N 2 1 331.464 1.298 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)c3ccccn3)cn2)CC1 ZINC000294881013 303152533 /nfs/dbraw/zinc/15/25/33/303152533.db2.gz VONYQCIDNYWHPX-UHFFFAOYSA-N 2 1 340.475 1.691 20 0 EDADMP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295045527 303166890 /nfs/dbraw/zinc/16/68/90/303166890.db2.gz GFRGGFQYWDGQDN-MRXNPFEDSA-N 2 1 331.420 1.354 20 0 EDADMP C[C@@H]([N@@H+](C)CC(=O)N1CCN(Cc2ccccc2)CC1)C(C)(C)O ZINC000295054739 303168073 /nfs/dbraw/zinc/16/80/73/303168073.db2.gz BJFSSPKYTBOQLJ-MRXNPFEDSA-N 2 1 333.476 1.422 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)[C@@H](C)CO)CC2)cc1 ZINC000295822867 303272330 /nfs/dbraw/zinc/27/23/30/303272330.db2.gz VKFLPQRQSFXALO-ROUUACIJSA-N 2 1 347.503 1.636 20 0 EDADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H](C)[N@H+]1CCO ZINC000456209512 447328408 /nfs/dbraw/zinc/32/84/08/447328408.db2.gz KTHVIZXJCYWZER-CALCHBBNSA-N 2 1 345.487 1.810 20 0 EDADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H](C)[N@@H+]1CCO ZINC000456209512 447328413 /nfs/dbraw/zinc/32/84/13/447328413.db2.gz KTHVIZXJCYWZER-CALCHBBNSA-N 2 1 345.487 1.810 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423202693 304889369 /nfs/dbraw/zinc/88/93/69/304889369.db2.gz BNADIRNLUIUTMC-KGLIPLIRSA-N 2 1 325.478 1.587 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423521044 304897803 /nfs/dbraw/zinc/89/78/03/304897803.db2.gz QPLZNMYSIJKVIF-CXAGYDPISA-N 2 1 332.448 2.000 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000428814448 305018283 /nfs/dbraw/zinc/01/82/83/305018283.db2.gz RYMYHRXCFIMBQO-MJGOQNOKSA-N 2 1 332.444 1.258 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000428814448 305018284 /nfs/dbraw/zinc/01/82/84/305018284.db2.gz RYMYHRXCFIMBQO-MJGOQNOKSA-N 2 1 332.444 1.258 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000428814448 305018285 /nfs/dbraw/zinc/01/82/85/305018285.db2.gz RYMYHRXCFIMBQO-MJGOQNOKSA-N 2 1 332.444 1.258 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000428814448 305018286 /nfs/dbraw/zinc/01/82/86/305018286.db2.gz RYMYHRXCFIMBQO-MJGOQNOKSA-N 2 1 332.444 1.258 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000428985439 305021688 /nfs/dbraw/zinc/02/16/88/305021688.db2.gz VDVVSVMGTDVOPP-MTSZKFMLSA-N 2 1 325.497 1.625 20 0 EDADMP CC[NH+]1CCC(NC(=O)CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000429023146 305022884 /nfs/dbraw/zinc/02/28/84/305022884.db2.gz VBHVFWCRDPRQFF-LZLYRXPVSA-N 2 1 336.524 1.249 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(CC)CC)CC1 ZINC000429291181 305027773 /nfs/dbraw/zinc/02/77/73/305027773.db2.gz SXTJZCLDGHEMQC-YYIAUSFCSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430580981 305056969 /nfs/dbraw/zinc/05/69/69/305056969.db2.gz IHNVVIPFHIXGNU-SFHVURJKSA-N 2 1 333.480 1.083 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430581874 305057052 /nfs/dbraw/zinc/05/70/52/305057052.db2.gz IJSSMTRUHQVWMT-GDBMZVCRSA-N 2 1 332.448 1.462 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000430597403 305057806 /nfs/dbraw/zinc/05/78/06/305057806.db2.gz LTHBXRNUBQNYOM-CHWSQXEVSA-N 2 1 325.403 1.683 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000430597403 305057807 /nfs/dbraw/zinc/05/78/07/305057807.db2.gz LTHBXRNUBQNYOM-CHWSQXEVSA-N 2 1 325.403 1.683 20 0 EDADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430626334 305060001 /nfs/dbraw/zinc/06/00/01/305060001.db2.gz LXFASDFQGPWPOI-INIZCTEOSA-N 2 1 342.443 1.937 20 0 EDADMP COc1ccc(CN(C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)C2CC2)cc1 ZINC000430649394 305061184 /nfs/dbraw/zinc/06/11/84/305061184.db2.gz SQQZBANVDRKNJA-INIZCTEOSA-N 2 1 331.460 1.857 20 0 EDADMP COc1ccc(CN(C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)C2CC2)cc1 ZINC000430649394 305061185 /nfs/dbraw/zinc/06/11/85/305061185.db2.gz SQQZBANVDRKNJA-INIZCTEOSA-N 2 1 331.460 1.857 20 0 EDADMP Cc1c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000430742242 305063845 /nfs/dbraw/zinc/06/38/45/305063845.db2.gz KYJNZQYTQPOTBG-ZIAGYGMSSA-N 2 1 348.495 1.504 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000430850291 305066076 /nfs/dbraw/zinc/06/60/76/305066076.db2.gz KADRZUUZAHPMDO-BRWVUGGUSA-N 2 1 325.497 1.757 20 0 EDADMP COCC[C@@]1(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH2+]C1 ZINC000431055582 305073822 /nfs/dbraw/zinc/07/38/22/305073822.db2.gz YMMQKZZNUYSJIY-KRWDZBQOSA-N 2 1 337.489 1.239 20 0 EDADMP COCC[C@@]1(C(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH2+]C1 ZINC000431055582 305073823 /nfs/dbraw/zinc/07/38/23/305073823.db2.gz YMMQKZZNUYSJIY-KRWDZBQOSA-N 2 1 337.489 1.239 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000433341310 305106078 /nfs/dbraw/zinc/10/60/78/305106078.db2.gz RVBBOKMBUPVZJE-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000433341310 305106079 /nfs/dbraw/zinc/10/60/79/305106079.db2.gz RVBBOKMBUPVZJE-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000433341310 305106080 /nfs/dbraw/zinc/10/60/80/305106080.db2.gz RVBBOKMBUPVZJE-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433453804 305109347 /nfs/dbraw/zinc/10/93/47/305109347.db2.gz CHUXIWHFGXITRO-GVDBMIGSSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433453804 305109348 /nfs/dbraw/zinc/10/93/48/305109348.db2.gz CHUXIWHFGXITRO-GVDBMIGSSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433453804 305109349 /nfs/dbraw/zinc/10/93/49/305109349.db2.gz CHUXIWHFGXITRO-GVDBMIGSSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000433923400 305114694 /nfs/dbraw/zinc/11/46/94/305114694.db2.gz ANCLCIQMWQDPCQ-NVXWUHKLSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000433923400 305114695 /nfs/dbraw/zinc/11/46/95/305114695.db2.gz ANCLCIQMWQDPCQ-NVXWUHKLSA-N 2 1 338.496 1.271 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1OCC(=O)N1CCCC1 ZINC000435393529 305139721 /nfs/dbraw/zinc/13/97/21/305139721.db2.gz GRDFBWADEMTBJI-MRXNPFEDSA-N 2 1 347.459 1.477 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OCC(=O)N1CCCC1 ZINC000435393529 305139722 /nfs/dbraw/zinc/13/97/22/305139722.db2.gz GRDFBWADEMTBJI-MRXNPFEDSA-N 2 1 347.459 1.477 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000436471505 305157768 /nfs/dbraw/zinc/15/77/68/305157768.db2.gz UOIOJBARLSHOCL-INIZCTEOSA-N 3 1 345.491 1.227 20 0 EDADMP NC(=O)[C@H]1CCCN(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000436471505 305157769 /nfs/dbraw/zinc/15/77/69/305157769.db2.gz UOIOJBARLSHOCL-INIZCTEOSA-N 2 1 345.491 1.227 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000441281448 305220193 /nfs/dbraw/zinc/22/01/93/305220193.db2.gz FIXQGPGPMUWDDV-JKSUJKDBSA-N 2 1 335.492 1.478 20 0 EDADMP CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443057085 305234327 /nfs/dbraw/zinc/23/43/27/305234327.db2.gz FJYGJIGDGCIJCD-CQSZACIVSA-N 2 1 332.448 1.388 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C(C)C)C2)C1 ZINC000446719818 305269985 /nfs/dbraw/zinc/26/99/85/305269985.db2.gz JXGDSOTVHFHCQO-IAGOWNOFSA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C(C)C)C2)C1 ZINC000446719818 305269986 /nfs/dbraw/zinc/26/99/86/305269986.db2.gz JXGDSOTVHFHCQO-IAGOWNOFSA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](C(C)C)C2)C1 ZINC000446719818 305269987 /nfs/dbraw/zinc/26/99/87/305269987.db2.gz JXGDSOTVHFHCQO-IAGOWNOFSA-N 2 1 325.497 1.437 20 0 EDADMP C[C@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)N1CC[NH+](C)CC1 ZINC000447723801 305284481 /nfs/dbraw/zinc/28/44/81/305284481.db2.gz RGFCYLWFWNOWHE-RHSMWYFYSA-N 2 1 346.475 1.646 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449134867 305307522 /nfs/dbraw/zinc/30/75/22/305307522.db2.gz LWVNKKNWPWVBRW-OAHLLOKOSA-N 2 1 333.480 1.675 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449134867 305307523 /nfs/dbraw/zinc/30/75/23/305307523.db2.gz LWVNKKNWPWVBRW-OAHLLOKOSA-N 2 1 333.480 1.675 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000449348237 305312141 /nfs/dbraw/zinc/31/21/41/305312141.db2.gz KSIBNDBRUSMHLY-QUCCMNQESA-N 2 1 345.487 1.487 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC[N@H+]1CCOC ZINC000449348237 305312142 /nfs/dbraw/zinc/31/21/42/305312142.db2.gz KSIBNDBRUSMHLY-QUCCMNQESA-N 2 1 345.487 1.487 20 0 EDADMP COCC[NH+]1CCC([NH2+]CCc2cnc3c(Cl)cnn3c2)CC1 ZINC000449353321 305312307 /nfs/dbraw/zinc/31/23/07/305312307.db2.gz AAUQJZOYTWGZRM-UHFFFAOYSA-N 2 1 337.855 1.626 20 0 EDADMP CCOc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)on1 ZINC000448852062 447352179 /nfs/dbraw/zinc/35/21/79/447352179.db2.gz HSIRVUFYXJVVLX-AWEZNQCLSA-N 2 1 338.452 1.561 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1 ZINC000521872927 305794112 /nfs/dbraw/zinc/79/41/12/305794112.db2.gz OMDQLYKPOFTUFU-HNNXBMFYSA-N 2 1 333.480 1.136 20 0 EDADMP CN(CCC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000543670586 306066462 /nfs/dbraw/zinc/06/64/62/306066462.db2.gz PJCHLJKZNGBQRC-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000543713869 306067621 /nfs/dbraw/zinc/06/76/21/306067621.db2.gz LMSKQPCXCGMGMN-FUHWJXTLSA-N 2 1 331.460 1.900 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+](CC(C)(C)O)CC1)C1CCCCC1 ZINC000547430997 306100812 /nfs/dbraw/zinc/10/08/12/306100812.db2.gz TVBGCKLLUHISFF-UHFFFAOYSA-N 2 1 325.497 1.556 20 0 EDADMP C[NH+](C)CCCCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000551412684 306158013 /nfs/dbraw/zinc/15/80/13/306158013.db2.gz APHJDSNBJADFDD-OALUTQOASA-N 2 1 347.503 1.718 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](C)C[C@@H](C)O)CC2)CC1 ZINC000553497640 306185744 /nfs/dbraw/zinc/18/57/44/306185744.db2.gz FSEULPCNCWVMKL-HZPDHXFCSA-N 2 1 339.524 1.706 20 0 EDADMP O=C(NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000555612900 306204072 /nfs/dbraw/zinc/20/40/72/306204072.db2.gz NBKVXPGBDYMTMZ-UYAOXDASSA-N 2 1 343.471 1.366 20 0 EDADMP O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000555612900 306204073 /nfs/dbraw/zinc/20/40/73/306204073.db2.gz NBKVXPGBDYMTMZ-UYAOXDASSA-N 2 1 343.471 1.366 20 0 EDADMP O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000555612900 306204074 /nfs/dbraw/zinc/20/40/74/306204074.db2.gz NBKVXPGBDYMTMZ-UYAOXDASSA-N 2 1 343.471 1.366 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000557134272 306224616 /nfs/dbraw/zinc/22/46/16/306224616.db2.gz QZYGDRCEQDSILQ-AEFFLSMTSA-N 2 1 338.496 1.128 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000557168743 306225254 /nfs/dbraw/zinc/22/52/54/306225254.db2.gz CHNIKKQVHDFOHC-RYQLBKOJSA-N 2 1 346.475 1.091 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CC[NH2+]1 ZINC000414952471 447372300 /nfs/dbraw/zinc/37/23/00/447372300.db2.gz QULSBRNFAQNDMF-RHSMWYFYSA-N 2 1 331.460 1.822 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422170579 447385607 /nfs/dbraw/zinc/38/56/07/447385607.db2.gz FJUHTYXFVOXNQA-KRWDZBQOSA-N 2 1 340.512 1.611 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000449708046 447388996 /nfs/dbraw/zinc/38/89/96/447388996.db2.gz FQWMLNQZROPWCS-IAGOWNOFSA-N 2 1 335.423 1.285 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000449708046 447389000 /nfs/dbraw/zinc/38/90/00/447389000.db2.gz FQWMLNQZROPWCS-IAGOWNOFSA-N 2 1 335.423 1.285 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000422184146 447392875 /nfs/dbraw/zinc/39/28/75/447392875.db2.gz XSCYFLVYLJSDMW-QZTJIDSGSA-N 2 1 332.492 1.895 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000458638998 447434111 /nfs/dbraw/zinc/43/41/11/447434111.db2.gz ACWBLORQUZTJNE-MRXNPFEDSA-N 2 1 328.501 1.469 20 0 EDADMP C[NH+](C)CC(C)(C)NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000458635156 447433776 /nfs/dbraw/zinc/43/37/76/447433776.db2.gz ATHAEAGMZSUICF-KRWDZBQOSA-N 2 1 348.491 1.393 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000069936940 441092638 /nfs/dbraw/zinc/09/26/38/441092638.db2.gz ZEYRXKHCLNLSRO-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)C[C@H](C)O1 ZINC000080505927 441176460 /nfs/dbraw/zinc/17/64/60/441176460.db2.gz QZCKRRVVMPMKHJ-TWMKSMIVSA-N 2 1 337.508 1.865 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)C[C@H](C)O1 ZINC000080505927 441176463 /nfs/dbraw/zinc/17/64/63/441176463.db2.gz QZCKRRVVMPMKHJ-TWMKSMIVSA-N 2 1 337.508 1.865 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C[C@H](C)O1 ZINC000080505927 441176467 /nfs/dbraw/zinc/17/64/67/441176467.db2.gz QZCKRRVVMPMKHJ-TWMKSMIVSA-N 2 1 337.508 1.865 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C[C@H](C)O1 ZINC000080505927 441176471 /nfs/dbraw/zinc/17/64/71/441176471.db2.gz QZCKRRVVMPMKHJ-TWMKSMIVSA-N 2 1 337.508 1.865 20 0 EDADMP Cc1cccc(NCCNC(=O)CC2([NH+]3CCOCC3)CCCC2)[nH+]1 ZINC000074085255 441389842 /nfs/dbraw/zinc/38/98/42/441389842.db2.gz IKOJNDOPQFDJHZ-UHFFFAOYSA-N 2 1 346.475 1.953 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C2CC2)C2CCCC2)C1 ZINC000064808989 441393483 /nfs/dbraw/zinc/39/34/83/441393483.db2.gz DMLCQFLGSZPMHM-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C2CC2)C2CCCC2)C1 ZINC000064808989 441393487 /nfs/dbraw/zinc/39/34/87/441393487.db2.gz DMLCQFLGSZPMHM-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C2CC2)C2CCCC2)C1 ZINC000064808989 441393492 /nfs/dbraw/zinc/39/34/92/441393492.db2.gz DMLCQFLGSZPMHM-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083698069 441367544 /nfs/dbraw/zinc/36/75/44/441367544.db2.gz LEEATJCQYREFKK-UHFFFAOYSA-N 2 1 336.484 1.406 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000052293931 441445744 /nfs/dbraw/zinc/44/57/44/441445744.db2.gz BAEHWIRUERILLV-UHFFFAOYSA-N 2 1 342.447 1.550 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[NH+](CC4CC4)C3)cc2C1 ZINC000108619634 441470325 /nfs/dbraw/zinc/47/03/25/441470325.db2.gz MWOSUNMSRYOCCO-KRWDZBQOSA-N 2 1 342.443 1.171 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[NH+](CC4CC4)C3)cc2C1 ZINC000108619634 441470328 /nfs/dbraw/zinc/47/03/28/441470328.db2.gz MWOSUNMSRYOCCO-KRWDZBQOSA-N 2 1 342.443 1.171 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cc2C1 ZINC000108619634 441470332 /nfs/dbraw/zinc/47/03/32/441470332.db2.gz MWOSUNMSRYOCCO-KRWDZBQOSA-N 2 1 342.443 1.171 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cc2C1 ZINC000108619634 441470334 /nfs/dbraw/zinc/47/03/34/441470334.db2.gz MWOSUNMSRYOCCO-KRWDZBQOSA-N 2 1 342.443 1.171 20 0 EDADMP O=C1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CN1CCOc1ccccc1 ZINC000090088496 441620367 /nfs/dbraw/zinc/62/03/67/441620367.db2.gz UNRCLGMPXHQHHI-OKZBNKHCSA-N 2 1 343.471 1.883 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091321199 441694911 /nfs/dbraw/zinc/69/49/11/441694911.db2.gz FCKBVPVNOPODJA-STQMWFEESA-N 2 1 336.461 1.826 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000121709199 441762895 /nfs/dbraw/zinc/76/28/95/441762895.db2.gz MRSUCGKXDIJBTI-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP COCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121709199 441762898 /nfs/dbraw/zinc/76/28/98/441762898.db2.gz MRSUCGKXDIJBTI-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP COCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000121709199 441762906 /nfs/dbraw/zinc/76/29/06/441762906.db2.gz MRSUCGKXDIJBTI-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2C)cn1 ZINC000139754581 441825842 /nfs/dbraw/zinc/82/58/42/441825842.db2.gz XAAGIIXTYIHDEZ-OAHLLOKOSA-N 2 1 328.420 1.469 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)cn1 ZINC000139754581 441825847 /nfs/dbraw/zinc/82/58/47/441825847.db2.gz XAAGIIXTYIHDEZ-OAHLLOKOSA-N 2 1 328.420 1.469 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000139794897 441828057 /nfs/dbraw/zinc/82/80/57/441828057.db2.gz HTSFYCNPEWSPNZ-HNNXBMFYSA-N 2 1 336.505 1.712 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000139794897 441828062 /nfs/dbraw/zinc/82/80/62/441828062.db2.gz HTSFYCNPEWSPNZ-HNNXBMFYSA-N 2 1 336.505 1.712 20 0 EDADMP Cc1[nH+]ccn1-c1cncc(N2CCC(OCCC[NH+](C)C)CC2)n1 ZINC000092919690 441838866 /nfs/dbraw/zinc/83/88/66/441838866.db2.gz FMRBLFCZROJGOO-UHFFFAOYSA-N 2 1 344.463 1.908 20 0 EDADMP Cc1[nH+]ccn1-c1cncc(N2CCC([N@H+](C)CCCO)CC2)n1 ZINC000092898237 441839340 /nfs/dbraw/zinc/83/93/40/441839340.db2.gz GRYPOYSMRADJJA-UHFFFAOYSA-N 2 1 330.436 1.254 20 0 EDADMP Cc1[nH+]ccn1-c1cncc(N2CCC([N@@H+](C)CCCO)CC2)n1 ZINC000092898237 441839344 /nfs/dbraw/zinc/83/93/44/441839344.db2.gz GRYPOYSMRADJJA-UHFFFAOYSA-N 2 1 330.436 1.254 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(C)COC1 ZINC000174884395 441978370 /nfs/dbraw/zinc/97/83/70/441978370.db2.gz GRVFBVKBWMIQIS-OAHLLOKOSA-N 2 1 326.485 1.080 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150785986 441951360 /nfs/dbraw/zinc/95/13/60/441951360.db2.gz JPQFESVRWDXCDJ-RTBURBONSA-N 2 1 348.487 1.990 20 0 EDADMP C[C@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)C[NH+]1CCOCC1 ZINC000150935505 441978717 /nfs/dbraw/zinc/97/87/17/441978717.db2.gz USNGAXRLXHOCET-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H](NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000174718089 441956717 /nfs/dbraw/zinc/95/67/17/441956717.db2.gz HKIVVAIMWULGOB-KRWDZBQOSA-N 2 1 332.492 1.433 20 0 EDADMP C[C@H](NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000174718089 441956725 /nfs/dbraw/zinc/95/67/25/441956725.db2.gz HKIVVAIMWULGOB-KRWDZBQOSA-N 2 1 332.492 1.433 20 0 EDADMP Cc1ccc(CNC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174727864 441960762 /nfs/dbraw/zinc/96/07/62/441960762.db2.gz HBVYUOSDLZKEME-UHFFFAOYSA-N 2 1 332.492 1.181 20 0 EDADMP Cc1ccc(CNC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174727864 441960768 /nfs/dbraw/zinc/96/07/68/441960768.db2.gz HBVYUOSDLZKEME-UHFFFAOYSA-N 2 1 332.492 1.181 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NCc2cccc(OC)c2)[C@H](C)C1 ZINC000174775945 441967940 /nfs/dbraw/zinc/96/79/40/441967940.db2.gz JSZRGOALAQROGH-QAPCUYQASA-N 2 1 333.476 1.974 20 0 EDADMP CC[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000125104425 441985628 /nfs/dbraw/zinc/98/56/28/441985628.db2.gz WFFRATTWEIJWFF-KRWDZBQOSA-N 2 1 337.508 1.870 20 0 EDADMP CC[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000125104425 441985634 /nfs/dbraw/zinc/98/56/34/441985634.db2.gz WFFRATTWEIJWFF-KRWDZBQOSA-N 2 1 337.508 1.870 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000120289927 442043951 /nfs/dbraw/zinc/04/39/51/442043951.db2.gz DJBGCMLBKRBXPM-OAHLLOKOSA-N 2 1 330.436 1.443 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000120289927 442043952 /nfs/dbraw/zinc/04/39/52/442043952.db2.gz DJBGCMLBKRBXPM-OAHLLOKOSA-N 2 1 330.436 1.443 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000120487424 442080709 /nfs/dbraw/zinc/08/07/09/442080709.db2.gz WONMXJQWTBCNNX-YESZJQIVSA-N 2 1 340.512 1.659 20 0 EDADMP CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000120516570 442087260 /nfs/dbraw/zinc/08/72/60/442087260.db2.gz LMOORDPUNYYFHG-IRXDYDNUSA-N 2 1 337.508 1.865 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2)c1ccccc1 ZINC000097096303 442166030 /nfs/dbraw/zinc/16/60/30/442166030.db2.gz IWYUSYYCYLYKKF-WFFDWFOESA-N 2 1 331.460 1.393 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000168005363 442222976 /nfs/dbraw/zinc/22/29/76/442222976.db2.gz PMVNPTHSZNJLID-VQHPVUNQSA-N 2 1 325.497 1.588 20 0 EDADMP CC[C@H]1CN(C(=O)c2cccn2C2CC[NH2+]CC2)CC[N@H+]1C[C@@H](C)O ZINC000168008326 442223174 /nfs/dbraw/zinc/22/31/74/442223174.db2.gz MREKRBZYKSKVJP-CVEARBPZSA-N 2 1 348.491 1.330 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)Nc1ccccc1C[NH+]1CCC[C@H](C(N)=O)C1 ZINC000127936278 442234761 /nfs/dbraw/zinc/23/47/61/442234761.db2.gz WLLCMCWVRYMYDD-INIZCTEOSA-N 2 1 346.475 1.663 20 0 EDADMP CC(C)[NH+](C)CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000127936278 442234763 /nfs/dbraw/zinc/23/47/63/442234763.db2.gz WLLCMCWVRYMYDD-INIZCTEOSA-N 2 1 346.475 1.663 20 0 EDADMP CC(C)[NH+](C)CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000127936278 442234764 /nfs/dbraw/zinc/23/47/64/442234764.db2.gz WLLCMCWVRYMYDD-INIZCTEOSA-N 2 1 346.475 1.663 20 0 EDADMP O=C(NCC[NH+]1CCCCC1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000170801397 442266471 /nfs/dbraw/zinc/26/64/71/442266471.db2.gz JJEYOVHGJNCYGS-LJQANCHMSA-N 2 1 345.487 1.787 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[NH+]1CCSCC1 ZINC000153361916 442277906 /nfs/dbraw/zinc/27/79/06/442277906.db2.gz WZRHIFNGHOYFLY-AWEZNQCLSA-N 2 1 325.522 1.947 20 0 EDADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)NC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC000177127308 442301579 /nfs/dbraw/zinc/30/15/79/442301579.db2.gz WVISTQTYPLKXRG-WDEREUQCSA-N 2 1 338.374 1.179 20 0 EDADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)NC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC000177127308 442301583 /nfs/dbraw/zinc/30/15/83/442301583.db2.gz WVISTQTYPLKXRG-WDEREUQCSA-N 2 1 338.374 1.179 20 0 EDADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F)CC[NH+]1C ZINC000177127308 442301586 /nfs/dbraw/zinc/30/15/86/442301586.db2.gz WVISTQTYPLKXRG-WDEREUQCSA-N 2 1 338.374 1.179 20 0 EDADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)NC(=O)NCC(F)(F)F)CC[NH+]1C ZINC000177127308 442301588 /nfs/dbraw/zinc/30/15/88/442301588.db2.gz WVISTQTYPLKXRG-WDEREUQCSA-N 2 1 338.374 1.179 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000171189343 442325146 /nfs/dbraw/zinc/32/51/46/442325146.db2.gz JWFBKTNZDMQMBU-SFHVURJKSA-N 2 1 348.491 1.701 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)CCCOC)[C@H](C)C1 ZINC000129642589 442326322 /nfs/dbraw/zinc/32/63/22/442326322.db2.gz PODCVGNMBZEXGP-CVEARBPZSA-N 2 1 328.501 1.326 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+](C)CCCOC)[C@H](C)C1 ZINC000129642589 442326325 /nfs/dbraw/zinc/32/63/25/442326325.db2.gz PODCVGNMBZEXGP-CVEARBPZSA-N 2 1 328.501 1.326 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+](C)CCCOC)[C@H](C)C1 ZINC000129642589 442326328 /nfs/dbraw/zinc/32/63/28/442326328.db2.gz PODCVGNMBZEXGP-CVEARBPZSA-N 2 1 328.501 1.326 20 0 EDADMP Cc1cc(C)n(CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000154193457 442326274 /nfs/dbraw/zinc/32/62/74/442326274.db2.gz RWRWMCYNDQKYDN-JWTNVVGKSA-N 2 1 345.491 1.269 20 0 EDADMP COC(=O)[C@H]1[C@@H](C(=O)OC)CCCN1CCCCn1cc[nH+]c1C ZINC000131125237 442365254 /nfs/dbraw/zinc/36/52/54/442365254.db2.gz FRMBKZDGRTXVBA-LSDHHAIUSA-N 2 1 337.420 1.398 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000171665892 442368286 /nfs/dbraw/zinc/36/82/86/442368286.db2.gz YMCZDIWQMMXJMX-QGZVFWFLSA-N 2 1 325.497 1.726 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000171665892 442368288 /nfs/dbraw/zinc/36/82/88/442368288.db2.gz YMCZDIWQMMXJMX-QGZVFWFLSA-N 2 1 325.497 1.726 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CCCn1ccnc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000154995572 442369143 /nfs/dbraw/zinc/36/91/43/442369143.db2.gz MNEWGASWBQPEQX-BBWFWOEESA-N 2 1 336.480 1.865 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131558547 442374349 /nfs/dbraw/zinc/37/43/49/442374349.db2.gz HJMYZSJUHUVPMU-MRXNPFEDSA-N 2 1 336.480 1.750 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131558547 442374352 /nfs/dbraw/zinc/37/43/52/442374352.db2.gz HJMYZSJUHUVPMU-MRXNPFEDSA-N 2 1 336.480 1.750 20 0 EDADMP CNC(=O)c1ccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000177993157 442400079 /nfs/dbraw/zinc/40/00/79/442400079.db2.gz QNDCSRGESODRQF-LJQANCHMSA-N 2 1 344.503 1.648 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000177993157 442400081 /nfs/dbraw/zinc/40/00/81/442400081.db2.gz QNDCSRGESODRQF-LJQANCHMSA-N 2 1 344.503 1.648 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000177995173 442400630 /nfs/dbraw/zinc/40/06/30/442400630.db2.gz GJYJVMRHQNIOPQ-YQQAZPJKSA-N 2 1 339.505 1.592 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCCO1 ZINC000133428087 442417692 /nfs/dbraw/zinc/41/76/92/442417692.db2.gz JZSAGDYSKNMEJP-AEFFLSMTSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000178484709 442437488 /nfs/dbraw/zinc/43/74/88/442437488.db2.gz OPGSNXSPSIZBEM-CVEARBPZSA-N 2 1 326.485 1.005 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000156368249 442472868 /nfs/dbraw/zinc/47/28/68/442472868.db2.gz CLIRPNCWPALOSH-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP CO[C@H](C)c1noc(CN2CCC[N@@H+](CC3CC[NH2+]CC3)CC2)n1 ZINC000178982525 442545422 /nfs/dbraw/zinc/54/54/22/442545422.db2.gz FPMRFCDEJZCEAT-CQSZACIVSA-N 2 1 337.468 1.284 20 0 EDADMP O=C(NCCC[NH+]1CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000172821953 442549234 /nfs/dbraw/zinc/54/92/34/442549234.db2.gz ZGJRBEOAEYPAFS-GOSISDBHSA-N 2 1 331.460 1.490 20 0 EDADMP O=C(NCCC[NH+]1CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000172821953 442549238 /nfs/dbraw/zinc/54/92/38/442549238.db2.gz ZGJRBEOAEYPAFS-GOSISDBHSA-N 2 1 331.460 1.490 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000179007624 442550528 /nfs/dbraw/zinc/55/05/28/442550528.db2.gz YCJVDJZBBQMVHI-RDJZCZTQSA-N 2 1 333.501 1.844 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2=O)cc1 ZINC000180441980 442603541 /nfs/dbraw/zinc/60/35/41/442603541.db2.gz GYOLWCGYFDITBI-KSSFIOAISA-N 2 1 342.443 1.815 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000157763404 442611583 /nfs/dbraw/zinc/61/15/83/442611583.db2.gz IUPYHHFHWFKORQ-WMZOPIPTSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000157763404 442611587 /nfs/dbraw/zinc/61/15/87/442611587.db2.gz IUPYHHFHWFKORQ-WMZOPIPTSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000157763404 442611591 /nfs/dbraw/zinc/61/15/91/442611591.db2.gz IUPYHHFHWFKORQ-WMZOPIPTSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000157763404 442611593 /nfs/dbraw/zinc/61/15/93/442611593.db2.gz IUPYHHFHWFKORQ-WMZOPIPTSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@](C)([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000192521055 442657405 /nfs/dbraw/zinc/65/74/05/442657405.db2.gz JKUWKVYLBQFGHO-JTDSTZFVSA-N 2 1 333.476 1.866 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2CN2CCOCC2)CC1 ZINC000192747925 442683130 /nfs/dbraw/zinc/68/31/30/442683130.db2.gz JWTQJXKDOBTJIW-IBGZPJMESA-N 2 1 338.540 1.199 20 0 EDADMP CCOC(=O)[C@H](C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000192843835 442691898 /nfs/dbraw/zinc/69/18/98/442691898.db2.gz BTIRFQCMTADMKF-INIZCTEOSA-N 2 1 325.497 1.819 20 0 EDADMP CCOC(=O)[C@H](C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000192843835 442691900 /nfs/dbraw/zinc/69/19/00/442691900.db2.gz BTIRFQCMTADMKF-INIZCTEOSA-N 2 1 325.497 1.819 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H]2CCCC[C@H]2C)C1 ZINC000192628779 442670316 /nfs/dbraw/zinc/67/03/16/442670316.db2.gz KMSOPADWHMETOF-KZNAEPCWSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2C)C1 ZINC000192628779 442670320 /nfs/dbraw/zinc/67/03/20/442670320.db2.gz KMSOPADWHMETOF-KZNAEPCWSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2C)C1 ZINC000192628779 442670323 /nfs/dbraw/zinc/67/03/23/442670323.db2.gz KMSOPADWHMETOF-KZNAEPCWSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000246581670 442795080 /nfs/dbraw/zinc/79/50/80/442795080.db2.gz VPRPYHQOXBRMCW-ZNMIVQPWSA-N 2 1 348.495 1.299 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000182327727 442757711 /nfs/dbraw/zinc/75/77/11/442757711.db2.gz UHZLHTDHQFJBKE-UHFFFAOYSA-N 2 1 345.487 1.833 20 0 EDADMP Cc1cc(=O)oc2cc(OCC[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)ccc12 ZINC000193607626 442758957 /nfs/dbraw/zinc/75/89/57/442758957.db2.gz JNSINJYHAOGLAS-GASCZTMLSA-N 2 1 328.412 1.974 20 0 EDADMP Cc1cc(=O)oc2cc(OCC[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)ccc12 ZINC000193607626 442758959 /nfs/dbraw/zinc/75/89/59/442758959.db2.gz JNSINJYHAOGLAS-GASCZTMLSA-N 2 1 328.412 1.974 20 0 EDADMP Cc1cc(=O)oc2cc(OCC[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)ccc12 ZINC000193607626 442758960 /nfs/dbraw/zinc/75/89/60/442758960.db2.gz JNSINJYHAOGLAS-GASCZTMLSA-N 2 1 328.412 1.974 20 0 EDADMP Cc1cc(=O)oc2cc(OCC[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)ccc12 ZINC000193607626 442758962 /nfs/dbraw/zinc/75/89/62/442758962.db2.gz JNSINJYHAOGLAS-GASCZTMLSA-N 2 1 328.412 1.974 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000182347742 442759192 /nfs/dbraw/zinc/75/91/92/442759192.db2.gz OGUHHIBBWOGXGB-IAGOWNOFSA-N 2 1 338.496 1.225 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000188540131 442761540 /nfs/dbraw/zinc/76/15/40/442761540.db2.gz GOYBSYQUZJQPKD-HZPDHXFCSA-N 2 1 342.528 1.857 20 0 EDADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000182433484 442766463 /nfs/dbraw/zinc/76/64/63/442766463.db2.gz MEQDAHSQVORZAH-GOSISDBHSA-N 2 1 346.475 1.486 20 0 EDADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000182433484 442766465 /nfs/dbraw/zinc/76/64/65/442766465.db2.gz MEQDAHSQVORZAH-GOSISDBHSA-N 2 1 346.475 1.486 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)C1CC1 ZINC000246365836 442776400 /nfs/dbraw/zinc/77/64/00/442776400.db2.gz XWASZKYEMUQMGR-GJZGRUSLSA-N 2 1 346.475 1.796 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000246400016 442778613 /nfs/dbraw/zinc/77/86/13/442778613.db2.gz LHIVYTGQKHXSBO-WMZOPIPTSA-N 2 1 339.524 1.874 20 0 EDADMP CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194137909 442850688 /nfs/dbraw/zinc/85/06/88/442850688.db2.gz RVXWLZMNFICHKX-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194137909 442850694 /nfs/dbraw/zinc/85/06/94/442850694.db2.gz RVXWLZMNFICHKX-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194137909 442850699 /nfs/dbraw/zinc/85/06/99/442850699.db2.gz RVXWLZMNFICHKX-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194137909 442850702 /nfs/dbraw/zinc/85/07/02/442850702.db2.gz RVXWLZMNFICHKX-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000194202885 442861325 /nfs/dbraw/zinc/86/13/25/442861325.db2.gz JVWGZHDESHHDIO-INIZCTEOSA-N 2 1 347.507 1.623 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000265683002 442878509 /nfs/dbraw/zinc/87/85/09/442878509.db2.gz CDXPWWYUJSLDPJ-SJORKVTESA-N 2 1 334.464 1.309 20 0 EDADMP CC[C@@H](C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000248065326 442879559 /nfs/dbraw/zinc/87/95/59/442879559.db2.gz ZIRVXOWVMKWEKH-OALUTQOASA-N 2 1 346.519 1.822 20 0 EDADMP CC[C@@H](C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000248065326 442879565 /nfs/dbraw/zinc/87/95/65/442879565.db2.gz ZIRVXOWVMKWEKH-OALUTQOASA-N 2 1 346.519 1.822 20 0 EDADMP CC[C@@H](C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000248065326 442879571 /nfs/dbraw/zinc/87/95/71/442879571.db2.gz ZIRVXOWVMKWEKH-OALUTQOASA-N 2 1 346.519 1.822 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@H]1C ZINC000248396296 442889663 /nfs/dbraw/zinc/88/96/63/442889663.db2.gz KCEHPMXVHRNVRZ-FGTMMUONSA-N 2 1 339.524 1.972 20 0 EDADMP COC[C@@H](C)C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000188248865 318558995 /nfs/dbraw/zinc/55/89/95/318558995.db2.gz TWRPAXMDBFBJPN-INIZCTEOSA-N 2 1 349.475 1.720 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH+](C)C ZINC000268396266 442974555 /nfs/dbraw/zinc/97/45/55/442974555.db2.gz QXXVHMJYROGXEC-KBAYOESNSA-N 2 1 330.476 1.852 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000190270269 443079322 /nfs/dbraw/zinc/07/93/22/443079322.db2.gz AGJWYCYLSCKSAP-CYBMUJFWSA-N 2 1 329.366 1.748 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000190270269 443079324 /nfs/dbraw/zinc/07/93/24/443079324.db2.gz AGJWYCYLSCKSAP-CYBMUJFWSA-N 2 1 329.366 1.748 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)[C@@H](C)C1 ZINC000268800766 443112587 /nfs/dbraw/zinc/11/25/87/443112587.db2.gz KBZQUMRCYWKFDB-QFBILLFUSA-N 2 1 345.487 1.979 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)[C@@H](C)C1 ZINC000268800766 443112591 /nfs/dbraw/zinc/11/25/91/443112591.db2.gz KBZQUMRCYWKFDB-QFBILLFUSA-N 2 1 345.487 1.979 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000185414650 443196312 /nfs/dbraw/zinc/19/63/12/443196312.db2.gz NHSSRZQSRADFIN-OAHLLOKOSA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@@H+](CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C1CC1 ZINC000185318529 443181886 /nfs/dbraw/zinc/18/18/86/443181886.db2.gz ZEEXSEAPQUIILE-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CC[N@H+](CCNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)C1CC1 ZINC000185318529 443181889 /nfs/dbraw/zinc/18/18/89/443181889.db2.gz ZEEXSEAPQUIILE-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CC[N@@H+](CCNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)C1CC1 ZINC000185318529 443181890 /nfs/dbraw/zinc/18/18/90/443181890.db2.gz ZEEXSEAPQUIILE-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262331941 443190609 /nfs/dbraw/zinc/19/06/09/443190609.db2.gz SHTPFAKXZUKPKC-HNNXBMFYSA-N 2 1 331.464 1.095 20 0 EDADMP C[N@H+](CC(=O)NCCCC[NH+]1CCC[C@H]1CO)Cc1ccccc1 ZINC000245677035 443244024 /nfs/dbraw/zinc/24/40/24/443244024.db2.gz HYGXIRHILNMVFB-SFHVURJKSA-N 2 1 333.476 1.472 20 0 EDADMP C[N@@H+](CC(=O)NCCCC[NH+]1CCC[C@H]1CO)Cc1ccccc1 ZINC000245677035 443244025 /nfs/dbraw/zinc/24/40/25/443244025.db2.gz HYGXIRHILNMVFB-SFHVURJKSA-N 2 1 333.476 1.472 20 0 EDADMP C[NH+](CC(=O)NCCCC[N@@H+]1CCC[C@H]1CO)Cc1ccccc1 ZINC000245677035 443244029 /nfs/dbraw/zinc/24/40/29/443244029.db2.gz HYGXIRHILNMVFB-SFHVURJKSA-N 2 1 333.476 1.472 20 0 EDADMP C[NH+](CC(=O)NCCCC[N@H+]1CCC[C@H]1CO)Cc1ccccc1 ZINC000245677035 443244031 /nfs/dbraw/zinc/24/40/31/443244031.db2.gz HYGXIRHILNMVFB-SFHVURJKSA-N 2 1 333.476 1.472 20 0 EDADMP CCC[N@H+](C)Cc1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000350644708 319058973 /nfs/dbraw/zinc/05/89/73/319058973.db2.gz OUIBMWOASVXFBN-UHFFFAOYSA-N 2 1 330.436 1.725 20 0 EDADMP CCC[N@@H+](C)Cc1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000350644708 319058976 /nfs/dbraw/zinc/05/89/76/319058976.db2.gz OUIBMWOASVXFBN-UHFFFAOYSA-N 2 1 330.436 1.725 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000355475949 319109441 /nfs/dbraw/zinc/10/94/41/319109441.db2.gz QHQSJORZNQJTCS-MRXNPFEDSA-N 2 1 348.491 1.863 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000382724562 319124395 /nfs/dbraw/zinc/12/43/95/319124395.db2.gz QQLMTNLCBUBQML-AEFFLSMTSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397453201 319134706 /nfs/dbraw/zinc/13/47/06/319134706.db2.gz PYOYQUIHPRDADJ-WCVJEAGWSA-N 2 1 341.496 1.941 20 0 EDADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000413849947 319293599 /nfs/dbraw/zinc/29/35/99/319293599.db2.gz ZHIZFIAWTYOLRZ-SJORKVTESA-N 3 1 339.528 1.138 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000413849947 319293602 /nfs/dbraw/zinc/29/36/02/319293602.db2.gz ZHIZFIAWTYOLRZ-SJORKVTESA-N 3 1 339.528 1.138 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)C1 ZINC000413849947 319293604 /nfs/dbraw/zinc/29/36/04/319293604.db2.gz ZHIZFIAWTYOLRZ-SJORKVTESA-N 3 1 339.528 1.138 20 0 EDADMP COCC[N@H+](Cc1cccs1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414675475 319339752 /nfs/dbraw/zinc/33/97/52/319339752.db2.gz FYAMNENLLMOIOS-CQSZACIVSA-N 2 1 325.478 1.394 20 0 EDADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N(C)CC[NH3+])c2C1 ZINC000415875281 319381187 /nfs/dbraw/zinc/38/11/87/319381187.db2.gz CUAINLSATAVFEI-CYBMUJFWSA-N 2 1 332.448 1.402 20 0 EDADMP C[C@H](CNC(=O)Nc1ccc(OCC[NH3+])cc1)C[NH+]1CCOCC1 ZINC000415939781 319383815 /nfs/dbraw/zinc/38/38/15/319383815.db2.gz RHKBAMRJQJCAQZ-CQSZACIVSA-N 2 1 336.436 1.114 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000415970219 319386414 /nfs/dbraw/zinc/38/64/14/319386414.db2.gz ZAEUWGOVQKVKIQ-AWEZNQCLSA-N 2 1 334.464 1.715 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191386960 443288402 /nfs/dbraw/zinc/28/84/02/443288402.db2.gz XSBNRWAWGWNDOU-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000416913420 319472663 /nfs/dbraw/zinc/47/26/63/319472663.db2.gz DRQQOLLQOGTXMO-KLHDSHLOSA-N 2 1 340.512 1.786 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000416916174 319473511 /nfs/dbraw/zinc/47/35/11/319473511.db2.gz HMFMEISXEJSLBY-ZJIFWQFVSA-N 2 1 340.512 1.501 20 0 EDADMP CC(C)C[C@H](CNC(=O)N(C)CC(C)(C)C[NH3+])[NH+]1CCOCC1 ZINC000416943761 319481680 /nfs/dbraw/zinc/48/16/80/319481680.db2.gz TZCZIBWICRUSBO-OAHLLOKOSA-N 2 1 328.501 1.360 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000416947560 319482794 /nfs/dbraw/zinc/48/27/94/319482794.db2.gz YGQVIXOQZRUACY-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267177385 443367996 /nfs/dbraw/zinc/36/79/96/443367996.db2.gz MGNAQVAWCUBFKI-INIZCTEOSA-N 2 1 339.509 1.708 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000264774954 443418646 /nfs/dbraw/zinc/41/86/46/443418646.db2.gz VWPLBGNDVAZIOE-GOSISDBHSA-N 2 1 332.492 1.504 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272754159 443433843 /nfs/dbraw/zinc/43/38/43/443433843.db2.gz JJRPDFSQIXKSPJ-CRAIPNDOSA-N 2 1 348.491 1.393 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000267453594 443463221 /nfs/dbraw/zinc/46/32/21/443463221.db2.gz UVPQZEZELIKRST-SJLPKXTDSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000267453594 443463225 /nfs/dbraw/zinc/46/32/25/443463225.db2.gz UVPQZEZELIKRST-SJLPKXTDSA-N 2 1 330.476 1.854 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CC[NH2+]CC1 ZINC000422957844 319742367 /nfs/dbraw/zinc/74/23/67/319742367.db2.gz OGSBSGAPAKROCH-HUUCEWRRSA-N 3 1 336.480 1.739 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)CC[NH2+]CC1 ZINC000423160214 319753084 /nfs/dbraw/zinc/75/30/84/319753084.db2.gz ZGIJXFUVXFIBRO-LLVKDONJSA-N 2 1 328.844 1.485 20 0 EDADMP O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)C12CCC[NH+]1CCC2 ZINC000279368397 443566389 /nfs/dbraw/zinc/56/63/89/443566389.db2.gz LHARLKKNIAYSSR-SFHVURJKSA-N 2 1 343.471 1.150 20 0 EDADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000267764374 443569655 /nfs/dbraw/zinc/56/96/55/443569655.db2.gz KIKPRKWHGKVFPA-KRWDZBQOSA-N 2 1 344.459 1.036 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccn1 ZINC000272261031 443572217 /nfs/dbraw/zinc/57/22/17/443572217.db2.gz APORXECWKMWWAQ-GOEBONIOSA-N 2 1 332.448 1.188 20 0 EDADMP C[C@@H](CCO)[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000283252585 443576547 /nfs/dbraw/zinc/57/65/47/443576547.db2.gz VLOQUGYIEYHDPD-KRWDZBQOSA-N 2 1 333.476 1.424 20 0 EDADMP C[C@@H](CCO)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000283252585 443576549 /nfs/dbraw/zinc/57/65/49/443576549.db2.gz VLOQUGYIEYHDPD-KRWDZBQOSA-N 2 1 333.476 1.424 20 0 EDADMP CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[NH+](CC)CC ZINC000273141692 443549395 /nfs/dbraw/zinc/54/93/95/443549395.db2.gz UPVAOOZMVRPBRF-MOPGFXCFSA-N 2 1 347.503 1.990 20 0 EDADMP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000430578569 319935118 /nfs/dbraw/zinc/93/51/18/319935118.db2.gz WYVXXRLJGPTVBS-UHFFFAOYSA-N 2 1 349.431 1.226 20 0 EDADMP CSCC[C@@H]([NH3+])C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000272415835 443618785 /nfs/dbraw/zinc/61/87/85/443618785.db2.gz GIRBEYCBGCZLNJ-CQSZACIVSA-N 2 1 337.493 1.259 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1-n1ccnn1 ZINC000286150901 443656920 /nfs/dbraw/zinc/65/69/20/443656920.db2.gz PLAVHXFINNJZRX-HOTGVXAUSA-N 2 1 329.448 1.765 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CC[C@H]3CCOC3)cc2)CC1 ZINC000438085086 320033330 /nfs/dbraw/zinc/03/33/30/320033330.db2.gz ABLZNBBLIATLQA-KRWDZBQOSA-N 2 1 331.460 1.590 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](CCO)CCCOC)CC1 ZINC000438339511 320033846 /nfs/dbraw/zinc/03/38/46/320033846.db2.gz IGDAAHTUHCKKKA-UHFFFAOYSA-N 2 1 335.492 1.659 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C[N@H+]1C1CC1 ZINC000441055724 320086950 /nfs/dbraw/zinc/08/69/50/320086950.db2.gz ZDJWDODGOYKDEV-XJKCOSOUSA-N 2 1 326.510 1.348 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443976068 320117620 /nfs/dbraw/zinc/11/76/20/320117620.db2.gz CPZVGOYYGPFPJK-UHFFFAOYSA-N 2 1 336.383 1.416 20 0 EDADMP O=c1ccc(Br)cn1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449376440 320185555 /nfs/dbraw/zinc/18/55/55/320185555.db2.gz LNGSZFNMMZKXPN-ZIAGYGMSSA-N 2 1 340.265 1.827 20 0 EDADMP CC(C)(CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCCCC1 ZINC000457449097 320326303 /nfs/dbraw/zinc/32/63/03/320326303.db2.gz FSMONPQIAJIMGD-INIZCTEOSA-N 2 1 340.512 1.397 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NCC[C@H]2CCC[NH+](C)C2)CCCO1 ZINC000458711505 320339187 /nfs/dbraw/zinc/33/91/87/320339187.db2.gz FOYGQIWKYMZPNG-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC000458711505 320339188 /nfs/dbraw/zinc/33/91/88/320339188.db2.gz FOYGQIWKYMZPNG-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000458711505 320339189 /nfs/dbraw/zinc/33/91/89/320339189.db2.gz FOYGQIWKYMZPNG-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000490050166 320362854 /nfs/dbraw/zinc/36/28/54/320362854.db2.gz ZXQWXDNSMYMVPA-GFCCVEGCSA-N 2 1 325.375 1.083 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000492895554 320390378 /nfs/dbraw/zinc/39/03/78/320390378.db2.gz UPEBHHFYCPTJAK-LJQANCHMSA-N 2 1 343.471 1.762 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000492895554 320390379 /nfs/dbraw/zinc/39/03/79/320390379.db2.gz UPEBHHFYCPTJAK-LJQANCHMSA-N 2 1 343.471 1.762 20 0 EDADMP CN(c1ccccc1C[N@H+]1CC[C@](C)(C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000280341394 443697977 /nfs/dbraw/zinc/69/79/77/443697977.db2.gz SBLDAQDVDNAAGO-FQEVSTJZSA-N 2 1 344.503 1.914 20 0 EDADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000276424196 443701935 /nfs/dbraw/zinc/70/19/35/443701935.db2.gz GQERNXJQLXXFKL-HNNXBMFYSA-N 2 1 332.448 1.364 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000276424196 443701938 /nfs/dbraw/zinc/70/19/38/443701938.db2.gz GQERNXJQLXXFKL-HNNXBMFYSA-N 2 1 332.448 1.364 20 0 EDADMP CCNC(=O)COc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298228564 443725257 /nfs/dbraw/zinc/72/52/57/443725257.db2.gz BDGQAUGAFLJPBC-UHFFFAOYSA-N 2 1 331.460 1.918 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000280953307 443782283 /nfs/dbraw/zinc/78/22/83/443782283.db2.gz XRPHRAKDJGMCIS-FZKQIMNGSA-N 2 1 330.432 1.515 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000292966304 443890618 /nfs/dbraw/zinc/89/06/18/443890618.db2.gz GISOXJORJMZLTQ-UHFFFAOYSA-N 2 1 331.420 1.429 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1cnn(CC(F)F)c1 ZINC000292984446 443895783 /nfs/dbraw/zinc/89/57/83/443895783.db2.gz MJFLNLCMCWCCJL-CQSZACIVSA-N 2 1 343.422 1.181 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNCc1cnn(CC(F)F)c1 ZINC000292984446 443895789 /nfs/dbraw/zinc/89/57/89/443895789.db2.gz MJFLNLCMCWCCJL-CQSZACIVSA-N 2 1 343.422 1.181 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000293168325 443942142 /nfs/dbraw/zinc/94/21/42/443942142.db2.gz RUVSIEFYMFZEPN-QZTJIDSGSA-N 2 1 336.476 1.499 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000293168325 443942144 /nfs/dbraw/zinc/94/21/44/443942144.db2.gz RUVSIEFYMFZEPN-QZTJIDSGSA-N 2 1 336.476 1.499 20 0 EDADMP C[N@H+](CCn1cnc2ccccc2c1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285345802 443950952 /nfs/dbraw/zinc/95/09/52/443950952.db2.gz AKKBYKJRMYKFRP-XYPWUTKMSA-N 2 1 326.444 1.954 20 0 EDADMP C[N@@H+](CCn1cnc2ccccc2c1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285345802 443950955 /nfs/dbraw/zinc/95/09/55/443950955.db2.gz AKKBYKJRMYKFRP-XYPWUTKMSA-N 2 1 326.444 1.954 20 0 EDADMP C[NH+](CCn1cnc2ccccc2c1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285345802 443950959 /nfs/dbraw/zinc/95/09/59/443950959.db2.gz AKKBYKJRMYKFRP-XYPWUTKMSA-N 2 1 326.444 1.954 20 0 EDADMP C[NH+](CCn1cnc2ccccc2c1=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285345802 443950961 /nfs/dbraw/zinc/95/09/61/443950961.db2.gz AKKBYKJRMYKFRP-XYPWUTKMSA-N 2 1 326.444 1.954 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277164192 443924547 /nfs/dbraw/zinc/92/45/47/443924547.db2.gz KICGCUVDYSGJCY-ZWKOTPCHSA-N 2 1 336.476 1.989 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cn2ccnc12 ZINC000293111578 443927253 /nfs/dbraw/zinc/92/72/53/443927253.db2.gz CYVKYOZQMUWKRB-GOSISDBHSA-N 2 1 341.415 1.135 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cn2cc[nH+]c12 ZINC000293111578 443927256 /nfs/dbraw/zinc/92/72/56/443927256.db2.gz CYVKYOZQMUWKRB-GOSISDBHSA-N 2 1 341.415 1.135 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cn2cc[nH+]c12 ZINC000293111578 443927261 /nfs/dbraw/zinc/92/72/61/443927261.db2.gz CYVKYOZQMUWKRB-GOSISDBHSA-N 2 1 341.415 1.135 20 0 EDADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000281670145 443974915 /nfs/dbraw/zinc/97/49/15/443974915.db2.gz SYGYCTKJDHBWMQ-IAGOWNOFSA-N 2 1 345.487 1.810 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000281670145 443974918 /nfs/dbraw/zinc/97/49/18/443974918.db2.gz SYGYCTKJDHBWMQ-IAGOWNOFSA-N 2 1 345.487 1.810 20 0 EDADMP COCCOCC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285371738 443959924 /nfs/dbraw/zinc/95/99/24/443959924.db2.gz FZQSHNHTHKXPOO-UHFFFAOYSA-N 2 1 335.492 1.399 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000299486898 444059843 /nfs/dbraw/zinc/05/98/43/444059843.db2.gz MBOZUYDPHCNBBM-HNNXBMFYSA-N 2 1 341.459 1.938 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000299486898 444059846 /nfs/dbraw/zinc/05/98/46/444059846.db2.gz MBOZUYDPHCNBBM-HNNXBMFYSA-N 2 1 341.459 1.938 20 0 EDADMP CC[C@@H]1CN(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)C[C@H]1[NH+]1CCOCC1 ZINC000557255083 321001118 /nfs/dbraw/zinc/00/11/18/321001118.db2.gz RPTNOYXPNPAJCM-YFHUEUNASA-N 2 1 338.496 1.066 20 0 EDADMP CC[C@@H]1CN(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)C[C@@H]1[NH+]1CCOCC1 ZINC000557255081 321001138 /nfs/dbraw/zinc/00/11/38/321001138.db2.gz RPTNOYXPNPAJCM-XLMAVXFVSA-N 2 1 338.496 1.066 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3CC[NH+](C)CC3)CC2)CC1 ZINC000557418037 321004068 /nfs/dbraw/zinc/00/40/68/321004068.db2.gz MKNODXHPGLSJMC-UHFFFAOYSA-N 3 1 336.524 1.393 20 0 EDADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[NH+]1CC(C)C1 ZINC000561317452 321039117 /nfs/dbraw/zinc/03/91/17/321039117.db2.gz QMBYLYFDKMZZRV-LPHOPBHVSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@H](CNC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000562987216 321085213 /nfs/dbraw/zinc/08/52/13/321085213.db2.gz QXJUMZSVMXJOEF-TVFCKZIOSA-N 2 1 327.513 1.167 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NC3CCN(c4ccccn4)CC3)C2)C1 ZINC000564393696 321128931 /nfs/dbraw/zinc/12/89/31/321128931.db2.gz OQJCVQSUEVBUGP-LJQANCHMSA-N 2 1 343.475 1.788 20 0 EDADMP COc1ccc2c(c1)CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000564472703 321134319 /nfs/dbraw/zinc/13/43/19/321134319.db2.gz JLJFSPSAMOHTRV-UHFFFAOYSA-N 2 1 331.460 1.608 20 0 EDADMP COc1ccc2c(c1)CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000564472703 321134321 /nfs/dbraw/zinc/13/43/21/321134321.db2.gz JLJFSPSAMOHTRV-UHFFFAOYSA-N 2 1 331.460 1.608 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000564889963 321155109 /nfs/dbraw/zinc/15/51/09/321155109.db2.gz LDFGUIFKQXWMJN-CABCVRRESA-N 2 1 336.505 1.152 20 0 EDADMP CC(C)[NH2+]CCC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000564909691 321155917 /nfs/dbraw/zinc/15/59/17/321155917.db2.gz NYSOAFJYHZZSBZ-UHFFFAOYSA-N 2 1 332.492 1.438 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000565360880 321183376 /nfs/dbraw/zinc/18/33/76/321183376.db2.gz CADGWNUHLBQPLH-JKSUJKDBSA-N 2 1 337.508 1.914 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccc(Oc4cnccn4)cc3)CCN2C1=O ZINC000565843676 321202974 /nfs/dbraw/zinc/20/29/74/321202974.db2.gz PXPAFTBQGMZKBT-ZBFHGGJFSA-N 2 1 339.399 1.013 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc(Oc4cnccn4)cc3)CCN2C1=O ZINC000565843676 321202975 /nfs/dbraw/zinc/20/29/75/321202975.db2.gz PXPAFTBQGMZKBT-ZBFHGGJFSA-N 2 1 339.399 1.013 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000565881934 321204922 /nfs/dbraw/zinc/20/49/22/321204922.db2.gz SPKNPBBKMKZZDP-HNNXBMFYSA-N 2 1 340.512 1.525 20 0 EDADMP CC[NH+]1CCC(CNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000567630258 321249955 /nfs/dbraw/zinc/24/99/55/321249955.db2.gz SVLDVNNDWKOUQS-IYBDPMFKSA-N 2 1 340.512 1.517 20 0 EDADMP CC1CCN(c2ccc(CNC[C@@H](O)C[N@@H+](C)C3CC3)cn2)CC1 ZINC000568500695 321294416 /nfs/dbraw/zinc/29/44/16/321294416.db2.gz AZODNCNDEDEKFN-GOSISDBHSA-N 2 1 332.492 1.863 20 0 EDADMP CC1CCN(c2ccc(C[NH2+]C[C@@H](O)CN(C)C3CC3)cn2)CC1 ZINC000568500695 321294417 /nfs/dbraw/zinc/29/44/17/321294417.db2.gz AZODNCNDEDEKFN-GOSISDBHSA-N 2 1 332.492 1.863 20 0 EDADMP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000568748089 321304956 /nfs/dbraw/zinc/30/49/56/321304956.db2.gz ADCIFWBFFFXLKA-CZUORRHYSA-N 2 1 345.491 1.581 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C[NH+]1CCCC1 ZINC000569085536 321317634 /nfs/dbraw/zinc/31/76/34/321317634.db2.gz YRCXUCPJCYZLJY-WBVHZDCISA-N 2 1 331.464 1.469 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000569250394 321322976 /nfs/dbraw/zinc/32/29/76/321322976.db2.gz PLSDXBQJRBBDIF-UHFFFAOYSA-N 2 1 348.491 1.528 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)[N@H+](C)C1 ZINC000285769886 444103029 /nfs/dbraw/zinc/10/30/29/444103029.db2.gz BJFULGXWXIAAQZ-KKUMJFAQSA-N 2 1 338.452 1.243 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)[N@@H+](C)C1 ZINC000285769886 444103032 /nfs/dbraw/zinc/10/30/32/444103032.db2.gz BJFULGXWXIAAQZ-KKUMJFAQSA-N 2 1 338.452 1.243 20 0 EDADMP CN(C(=O)Cn1ccnc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000570544865 321346697 /nfs/dbraw/zinc/34/66/97/321346697.db2.gz OJSYYSJBWOOHID-ROUUACIJSA-N 2 1 347.507 1.679 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)C2 ZINC000572120776 321415702 /nfs/dbraw/zinc/41/57/02/321415702.db2.gz AFDCXRWHMBHJSA-VHFSOBRXSA-N 2 1 343.471 1.795 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)[C@H](C)c1ccccc1)C2 ZINC000572120773 321415766 /nfs/dbraw/zinc/41/57/66/321415766.db2.gz AFDCXRWHMBHJSA-CFLQYTFWSA-N 2 1 343.471 1.795 20 0 EDADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cn(C)c(=O)n(C)c1=O ZINC000289461959 444150962 /nfs/dbraw/zinc/15/09/62/444150962.db2.gz ONPLVGZWDKEHCX-UHFFFAOYSA-N 2 1 344.459 1.168 20 0 EDADMP CC(C)n1cc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000289533554 444166382 /nfs/dbraw/zinc/16/63/82/444166382.db2.gz CBAACEGNXILAIN-UHFFFAOYSA-N 2 1 343.479 1.556 20 0 EDADMP COCC[NH+]1CCC([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000575116981 321515234 /nfs/dbraw/zinc/51/52/34/321515234.db2.gz VGKLARILYKBWHA-UHFFFAOYSA-N 2 1 341.402 1.994 20 0 EDADMP C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000304316009 444246782 /nfs/dbraw/zinc/24/67/82/444246782.db2.gz OIBJYZBJHJTUDB-WOJBJXKFSA-N 2 1 347.503 1.133 20 0 EDADMP C[NH+](C[C@@H](O)CN1CCOCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000304316009 444246784 /nfs/dbraw/zinc/24/67/84/444246784.db2.gz OIBJYZBJHJTUDB-WOJBJXKFSA-N 2 1 347.503 1.133 20 0 EDADMP C[NH+](C[C@@H](O)CN1CCOCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000304316009 444246786 /nfs/dbraw/zinc/24/67/86/444246786.db2.gz OIBJYZBJHJTUDB-WOJBJXKFSA-N 2 1 347.503 1.133 20 0 EDADMP CCc1nc2ccccc2n1CC(=O)NCCN1CCC(O)CC1 ZINC000297016839 444268310 /nfs/dbraw/zinc/26/83/10/444268310.db2.gz RIEJIUIZRUYEJO-UHFFFAOYSA-N 2 1 330.432 1.172 20 0 EDADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000576946117 321609638 /nfs/dbraw/zinc/60/96/38/321609638.db2.gz ICBMKYPAADZIHL-INIZCTEOSA-N 2 1 334.489 1.809 20 0 EDADMP CO[C@H](C[NH3+])C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000290031765 444233381 /nfs/dbraw/zinc/23/33/81/444233381.db2.gz RVZSAJFAHOMWSE-RVKKMQEKSA-N 2 1 333.476 1.754 20 0 EDADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000297635916 444311593 /nfs/dbraw/zinc/31/15/93/444311593.db2.gz HMCFNXHVRLMNJP-UHFFFAOYSA-N 2 1 327.432 1.972 20 0 EDADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000297635916 444311595 /nfs/dbraw/zinc/31/15/95/444311595.db2.gz HMCFNXHVRLMNJP-UHFFFAOYSA-N 2 1 327.432 1.972 20 0 EDADMP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CO2 ZINC000297826137 444339306 /nfs/dbraw/zinc/33/93/06/444339306.db2.gz RONHANIVYVGZMX-IRXDYDNUSA-N 2 1 334.460 1.825 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000324104408 444350504 /nfs/dbraw/zinc/35/05/04/444350504.db2.gz JOFGPFULBRTLSP-BSDSXHPESA-N 2 1 328.497 1.331 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000324104408 444350507 /nfs/dbraw/zinc/35/05/07/444350507.db2.gz JOFGPFULBRTLSP-BSDSXHPESA-N 2 1 328.497 1.331 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000324104408 444350508 /nfs/dbraw/zinc/35/05/08/444350508.db2.gz JOFGPFULBRTLSP-BSDSXHPESA-N 2 1 328.497 1.331 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000324104408 444350511 /nfs/dbraw/zinc/35/05/11/444350511.db2.gz JOFGPFULBRTLSP-BSDSXHPESA-N 2 1 328.497 1.331 20 0 EDADMP CC(C)[C@H](CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000325244063 444363275 /nfs/dbraw/zinc/36/32/75/444363275.db2.gz YLZPLCWDABAYMZ-BZSNNMDCSA-N 2 1 338.540 1.400 20 0 EDADMP COCC1(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CC[NH2+]CC1 ZINC000326343339 444374008 /nfs/dbraw/zinc/37/40/08/444374008.db2.gz BYYJMUVIMKSNGK-UHFFFAOYSA-N 2 1 329.404 1.530 20 0 EDADMP CC(C)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1nnc2ccccn21 ZINC000328663680 444420215 /nfs/dbraw/zinc/42/02/15/444420215.db2.gz BJUHRXMXAAEXCC-KRWDZBQOSA-N 2 1 344.463 1.180 20 0 EDADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(CO)c1 ZINC000340521298 444423751 /nfs/dbraw/zinc/42/37/51/444423751.db2.gz SXMLZNVYSBZRCE-HNNXBMFYSA-N 2 1 333.476 1.772 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](C)CC1 ZINC000327069104 444380370 /nfs/dbraw/zinc/38/03/70/444380370.db2.gz KUASLJDWUFOLMP-MOPGFXCFSA-N 2 1 344.503 1.262 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000298048083 444396547 /nfs/dbraw/zinc/39/65/47/444396547.db2.gz SQLXTGOPGWFBBC-WMZOPIPTSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000298048083 444396552 /nfs/dbraw/zinc/39/65/52/444396552.db2.gz SQLXTGOPGWFBBC-WMZOPIPTSA-N 2 1 330.476 1.013 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000337974652 444477409 /nfs/dbraw/zinc/47/74/09/444477409.db2.gz FOOFFPGEFSYGAZ-SFHVURJKSA-N 2 1 331.460 1.142 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC000337974652 444477411 /nfs/dbraw/zinc/47/74/11/444477411.db2.gz FOOFFPGEFSYGAZ-SFHVURJKSA-N 2 1 331.460 1.142 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1c1cccs1 ZINC000580052503 322002067 /nfs/dbraw/zinc/00/20/67/322002067.db2.gz IVABGFPQUAYTIN-CNBXADPUSA-N 2 1 334.489 1.648 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)CC[NH2+]C3CC3)CC2)oc1C ZINC000580094665 322009876 /nfs/dbraw/zinc/00/98/76/322009876.db2.gz RPJKDZCAAYXESS-UHFFFAOYSA-N 2 1 334.464 1.762 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000338044460 444498135 /nfs/dbraw/zinc/49/81/35/444498135.db2.gz AVLCKDJPASMIDB-LMMKCTJWSA-N 2 1 344.503 1.574 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000338044460 444498137 /nfs/dbraw/zinc/49/81/37/444498137.db2.gz AVLCKDJPASMIDB-LMMKCTJWSA-N 2 1 344.503 1.574 20 0 EDADMP CC(C)(CNC(=O)N[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000580539637 322063355 /nfs/dbraw/zinc/06/33/55/322063355.db2.gz ZDSSUVMTBCUFRM-KRWDZBQOSA-N 2 1 330.476 1.875 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000580785432 322096203 /nfs/dbraw/zinc/09/62/03/322096203.db2.gz DDOMMDOLQLXNGW-IRXDYDNUSA-N 2 1 331.464 1.439 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000581240053 322152648 /nfs/dbraw/zinc/15/26/48/322152648.db2.gz PPPQRQHTGIIINT-CRAIPNDOSA-N 2 1 346.475 1.316 20 0 EDADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc(OC)c1O ZINC000581429533 322176629 /nfs/dbraw/zinc/17/66/29/322176629.db2.gz PKUNSAWNFLXCGL-AWEZNQCLSA-N 2 1 336.432 1.597 20 0 EDADMP Cc1cccc(OC[C@@H](O)C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000581998747 322242707 /nfs/dbraw/zinc/24/27/07/322242707.db2.gz VOYHZHAKEYPQIA-KRWDZBQOSA-N 2 1 335.492 1.350 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCCn4ccnc43)CC[C@H]21 ZINC000332683278 444526859 /nfs/dbraw/zinc/52/68/59/444526859.db2.gz KPWZZGWKRRIVBF-BZUAXINKSA-N 2 1 331.464 1.886 20 0 EDADMP CC[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[NH+](CC)CC ZINC000342202106 444561585 /nfs/dbraw/zinc/56/15/85/444561585.db2.gz HDGZQQZWVSPXDX-CEXWTWQISA-N 2 1 347.503 1.858 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000343761785 444571389 /nfs/dbraw/zinc/57/13/89/444571389.db2.gz HZPXOQIXLXGYFB-JLSDUUJJSA-N 2 1 331.460 1.635 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000343761785 444571393 /nfs/dbraw/zinc/57/13/93/444571393.db2.gz HZPXOQIXLXGYFB-JLSDUUJJSA-N 2 1 331.460 1.635 20 0 EDADMP C[N@@H+](CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000332850350 444573193 /nfs/dbraw/zinc/57/31/93/444573193.db2.gz VISXOZNPZVLVRU-IRXDYDNUSA-N 2 1 338.496 1.148 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000332864813 444578034 /nfs/dbraw/zinc/57/80/34/444578034.db2.gz MLJBFCVEQIJOED-VYDXJSESSA-N 2 1 340.512 1.203 20 0 EDADMP COCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC000338239989 444582322 /nfs/dbraw/zinc/58/23/22/444582322.db2.gz STIOKFQIOWYJNK-KRWDZBQOSA-N 2 1 333.476 1.860 20 0 EDADMP COCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC000338239989 444582325 /nfs/dbraw/zinc/58/23/25/444582325.db2.gz STIOKFQIOWYJNK-KRWDZBQOSA-N 2 1 333.476 1.860 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000333014885 444629250 /nfs/dbraw/zinc/62/92/50/444629250.db2.gz WRUVQMYTRJURRB-KSZLIROESA-N 2 1 337.508 1.745 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000333013984 444629445 /nfs/dbraw/zinc/62/94/45/444629445.db2.gz VEMMJQQQKODYQK-LSDHHAIUSA-N 2 1 342.447 1.579 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000333013984 444629450 /nfs/dbraw/zinc/62/94/50/444629450.db2.gz VEMMJQQQKODYQK-LSDHHAIUSA-N 2 1 342.447 1.579 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338359178 444655224 /nfs/dbraw/zinc/65/52/24/444655224.db2.gz XXVGJJWCZBJMGI-OAHLLOKOSA-N 2 1 342.509 1.439 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338359178 444655228 /nfs/dbraw/zinc/65/52/28/444655228.db2.gz XXVGJJWCZBJMGI-OAHLLOKOSA-N 2 1 342.509 1.439 20 0 EDADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCSCC1 ZINC000341113183 444679748 /nfs/dbraw/zinc/67/97/48/444679748.db2.gz AUYLWYQECWUGFI-HUUCEWRRSA-N 2 1 326.510 1.303 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCSCC1 ZINC000341113183 444679752 /nfs/dbraw/zinc/67/97/52/444679752.db2.gz AUYLWYQECWUGFI-HUUCEWRRSA-N 2 1 326.510 1.303 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000342342604 444642539 /nfs/dbraw/zinc/64/25/39/444642539.db2.gz DXAFTPBZVAEXBO-RDJZCZTQSA-N 2 1 340.512 1.469 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000342342600 444642882 /nfs/dbraw/zinc/64/28/82/444642882.db2.gz DXAFTPBZVAEXBO-DOTOQJQBSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCC3([NH3+])CCC3)cc2)C[C@H](C)O1 ZINC000342602658 444770012 /nfs/dbraw/zinc/77/00/12/444770012.db2.gz YSALZECKTOKVFH-GASCZTMLSA-N 2 1 331.460 1.907 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCC3([NH3+])CCC3)cc2)C[C@H](C)O1 ZINC000342602658 444770018 /nfs/dbraw/zinc/77/00/18/444770018.db2.gz YSALZECKTOKVFH-GASCZTMLSA-N 2 1 331.460 1.907 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330009660 444809789 /nfs/dbraw/zinc/80/97/89/444809789.db2.gz HLCGZNOWDSDXHX-HNNXBMFYSA-N 2 1 344.463 1.779 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330009660 444809792 /nfs/dbraw/zinc/80/97/92/444809792.db2.gz HLCGZNOWDSDXHX-HNNXBMFYSA-N 2 1 344.463 1.779 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000342694593 444818742 /nfs/dbraw/zinc/81/87/42/444818742.db2.gz OFBNLRFABJXYBI-HZPDHXFCSA-N 2 1 333.432 1.048 20 0 EDADMP CC[N@H+]1C[C@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000344212697 444842628 /nfs/dbraw/zinc/84/26/28/444842628.db2.gz LXAYPMBWATUHHJ-YJBOKZPZSA-N 2 1 332.492 1.408 20 0 EDADMP CC[N@@H+]1C[C@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000344212697 444842631 /nfs/dbraw/zinc/84/26/31/444842631.db2.gz LXAYPMBWATUHHJ-YJBOKZPZSA-N 2 1 332.492 1.408 20 0 EDADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000344221936 444847332 /nfs/dbraw/zinc/84/73/32/444847332.db2.gz QDBYENDZEUSXQA-AWEZNQCLSA-N 2 1 349.479 1.438 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCC[N@H+](C)[C@@H]3C)CC2)c1 ZINC000344252037 444864296 /nfs/dbraw/zinc/86/42/96/444864296.db2.gz MWMMRZRQROUECI-CVEARBPZSA-N 2 1 331.464 1.704 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC000344252037 444864298 /nfs/dbraw/zinc/86/42/98/444864298.db2.gz MWMMRZRQROUECI-CVEARBPZSA-N 2 1 331.464 1.704 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000344253234 444865049 /nfs/dbraw/zinc/86/50/49/444865049.db2.gz NCPNWSCPFRZLCO-WBVHZDCISA-N 2 1 340.512 1.658 20 0 EDADMP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000330368931 444955208 /nfs/dbraw/zinc/95/52/08/444955208.db2.gz UEEJZHTYKWGSTI-HOTGVXAUSA-N 2 1 331.526 1.512 20 0 EDADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000330368931 444955212 /nfs/dbraw/zinc/95/52/12/444955212.db2.gz UEEJZHTYKWGSTI-HOTGVXAUSA-N 2 1 331.526 1.512 20 0 EDADMP CNS(=O)(=O)CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000330368931 444955217 /nfs/dbraw/zinc/95/52/17/444955217.db2.gz UEEJZHTYKWGSTI-HOTGVXAUSA-N 2 1 331.526 1.512 20 0 EDADMP CNS(=O)(=O)CCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000330368931 444955220 /nfs/dbraw/zinc/95/52/20/444955220.db2.gz UEEJZHTYKWGSTI-HOTGVXAUSA-N 2 1 331.526 1.512 20 0 EDADMP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000330421096 444974768 /nfs/dbraw/zinc/97/47/68/444974768.db2.gz FXIFJBQVAUXFIJ-QAPCUYQASA-N 2 1 325.497 1.317 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)C(C)C ZINC000344510435 445023191 /nfs/dbraw/zinc/02/31/91/445023191.db2.gz GXTAEPQMQCYTOT-MRXNPFEDSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000339060512 445013534 /nfs/dbraw/zinc/01/35/34/445013534.db2.gz ZJVYDJARBKOGKI-NSISKUIASA-N 2 1 349.494 1.687 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000344616503 445088371 /nfs/dbraw/zinc/08/83/71/445088371.db2.gz NKEGVLJSGXLFPZ-SJORKVTESA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000344616503 445088374 /nfs/dbraw/zinc/08/83/74/445088374.db2.gz NKEGVLJSGXLFPZ-SJORKVTESA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000344616503 445088375 /nfs/dbraw/zinc/08/83/75/445088375.db2.gz NKEGVLJSGXLFPZ-SJORKVTESA-N 2 1 337.508 1.866 20 0 EDADMP COC1CCC(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000344604521 445082880 /nfs/dbraw/zinc/08/28/80/445082880.db2.gz ADTDVRWKWPPPGW-UHFFFAOYSA-N 2 1 333.480 1.523 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000337449559 445086868 /nfs/dbraw/zinc/08/68/68/445086868.db2.gz JYKJJBHMZNOORU-GOEBONIOSA-N 2 1 327.856 1.372 20 0 EDADMP C[C@H](CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@@H+](C)C1CC1 ZINC000341986428 445108380 /nfs/dbraw/zinc/10/83/80/445108380.db2.gz UUMALLXBKZKUJK-UKRRQHHQSA-N 2 1 340.512 1.068 20 0 EDADMP CCOc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342081614 445161733 /nfs/dbraw/zinc/16/17/33/445161733.db2.gz HFOFUHWANOFGDK-RYQLBKOJSA-N 2 1 331.460 1.761 20 0 EDADMP CCOc1cccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342081614 445161737 /nfs/dbraw/zinc/16/17/37/445161737.db2.gz HFOFUHWANOFGDK-RYQLBKOJSA-N 2 1 331.460 1.761 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342082695 445162218 /nfs/dbraw/zinc/16/22/18/445162218.db2.gz YYSSXCLPZNVVDU-GEEKYZPCSA-N 2 1 325.497 1.863 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342082695 445162224 /nfs/dbraw/zinc/16/22/24/445162224.db2.gz YYSSXCLPZNVVDU-GEEKYZPCSA-N 2 1 325.497 1.863 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342082695 445162227 /nfs/dbraw/zinc/16/22/27/445162227.db2.gz YYSSXCLPZNVVDU-GEEKYZPCSA-N 2 1 325.497 1.863 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342082695 445162231 /nfs/dbraw/zinc/16/22/31/445162231.db2.gz YYSSXCLPZNVVDU-GEEKYZPCSA-N 2 1 325.497 1.863 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342114973 445179368 /nfs/dbraw/zinc/17/93/68/445179368.db2.gz XLBYCZYDQNSPTN-YESZJQIVSA-N 2 1 331.460 1.413 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342114973 445179371 /nfs/dbraw/zinc/17/93/71/445179371.db2.gz XLBYCZYDQNSPTN-YESZJQIVSA-N 2 1 331.460 1.413 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000337668666 445194300 /nfs/dbraw/zinc/19/43/00/445194300.db2.gz WACZWOTYGQJTQB-CQSZACIVSA-N 2 1 336.484 1.406 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000337668666 445194301 /nfs/dbraw/zinc/19/43/01/445194301.db2.gz WACZWOTYGQJTQB-CQSZACIVSA-N 2 1 336.484 1.406 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000345576750 445191178 /nfs/dbraw/zinc/19/11/78/445191178.db2.gz REEYBJVCQUEKGO-INIZCTEOSA-N 2 1 342.528 1.453 20 0 EDADMP C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Cc1nnc2n1CCCCC2 ZINC000343242953 445157089 /nfs/dbraw/zinc/15/70/89/445157089.db2.gz ASKVHYWOMQWGFW-ZACQAIPSSA-N 2 1 347.507 1.684 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)[NH+](C)C)cc1 ZINC000343342099 445205606 /nfs/dbraw/zinc/20/56/06/445205606.db2.gz ULACLOCPPWNIRR-MSOLQXFVSA-N 2 1 330.476 1.104 20 0 EDADMP C[C@H]1[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCC[N@H+]1C ZINC000345735019 445197585 /nfs/dbraw/zinc/19/75/85/445197585.db2.gz CYUWFZCGILCUQB-GOEBONIOSA-N 2 1 326.485 1.221 20 0 EDADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343445669 445224517 /nfs/dbraw/zinc/22/45/17/445224517.db2.gz XTHTXFOZYQIHML-CQSZACIVSA-N 2 1 343.393 1.961 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCC[NH+](CC)C2CC2)CC[N@H+]1CCOC ZINC000347078532 445231118 /nfs/dbraw/zinc/23/11/18/445231118.db2.gz XXEBLDLZQKVLQW-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCC[N@H+](CC)C2CC2)CC[NH+]1CCOC ZINC000347078532 445231120 /nfs/dbraw/zinc/23/11/20/445231120.db2.gz XXEBLDLZQKVLQW-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCC[N@@H+](CC)C2CC2)CC[NH+]1CCOC ZINC000347078532 445231122 /nfs/dbraw/zinc/23/11/22/445231122.db2.gz XXEBLDLZQKVLQW-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP Cn1nccc1[C@@H]1OCC[C@@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000343575120 445248050 /nfs/dbraw/zinc/24/80/50/445248050.db2.gz HYIKVYWKTWSKFB-CRAIPNDOSA-N 2 1 336.480 1.276 20 0 EDADMP Cn1nccc1[C@@H]1OCC[C@@H]1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000343575120 445248054 /nfs/dbraw/zinc/24/80/54/445248054.db2.gz HYIKVYWKTWSKFB-CRAIPNDOSA-N 2 1 336.480 1.276 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000351767310 445313893 /nfs/dbraw/zinc/31/38/93/445313893.db2.gz GJSULXILVIYSHQ-IKGGRYGDSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCC[N@H+]1C ZINC000343655304 445285452 /nfs/dbraw/zinc/28/54/52/445285452.db2.gz OXNJLXVLGJKKEQ-MAUKXSAKSA-N 2 1 348.491 1.909 20 0 EDADMP C[NH+]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000351718108 445290159 /nfs/dbraw/zinc/29/01/59/445290159.db2.gz IJXZNIXOMAXXIM-UHFFFAOYSA-N 2 1 340.537 1.695 20 0 EDADMP CC(C)OCC[N@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348163900 445296620 /nfs/dbraw/zinc/29/66/20/445296620.db2.gz FTDRXERIQPJUKF-CABCVRRESA-N 2 1 339.459 1.816 20 0 EDADMP CC(C)OCC[N@@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348163900 445296623 /nfs/dbraw/zinc/29/66/23/445296623.db2.gz FTDRXERIQPJUKF-CABCVRRESA-N 2 1 339.459 1.816 20 0 EDADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351850607 445343180 /nfs/dbraw/zinc/34/31/80/445343180.db2.gz JJLKJORSSADXLI-YJNKXOJESA-N 2 1 333.432 1.000 20 0 EDADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351850607 445343183 /nfs/dbraw/zinc/34/31/83/445343183.db2.gz JJLKJORSSADXLI-YJNKXOJESA-N 2 1 333.432 1.000 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351857507 445344985 /nfs/dbraw/zinc/34/49/85/445344985.db2.gz BWEXBAIAVZYKSN-AGIUHOORSA-N 2 1 325.403 1.681 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351857507 445344986 /nfs/dbraw/zinc/34/49/86/445344986.db2.gz BWEXBAIAVZYKSN-AGIUHOORSA-N 2 1 325.403 1.681 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000351859125 445345364 /nfs/dbraw/zinc/34/53/64/445345364.db2.gz ZZPQTUVVEFKCHQ-DLBZAZTESA-N 2 1 330.476 1.313 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000351859125 445345365 /nfs/dbraw/zinc/34/53/65/445345365.db2.gz ZZPQTUVVEFKCHQ-DLBZAZTESA-N 2 1 330.476 1.313 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1OC ZINC000351858489 445345417 /nfs/dbraw/zinc/34/54/17/445345417.db2.gz ZIGDRUKVSGOLSF-KBPBESRZSA-N 2 1 335.448 1.331 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1OC ZINC000351858489 445345418 /nfs/dbraw/zinc/34/54/18/445345418.db2.gz ZIGDRUKVSGOLSF-KBPBESRZSA-N 2 1 335.448 1.331 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351861401 445346117 /nfs/dbraw/zinc/34/61/17/445346117.db2.gz LDGNPSUWZMKNQC-BBWFWOEESA-N 2 1 330.476 1.393 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000351884983 445354708 /nfs/dbraw/zinc/35/47/08/445354708.db2.gz CLERIEVWKYOWEW-DOTOQJQBSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000348757204 445363984 /nfs/dbraw/zinc/36/39/84/445363984.db2.gz TVIGFWMLQSOGOX-MRXNPFEDSA-N 2 1 333.476 1.518 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000348757204 445363987 /nfs/dbraw/zinc/36/39/87/445363987.db2.gz TVIGFWMLQSOGOX-MRXNPFEDSA-N 2 1 333.476 1.518 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000348757204 445363992 /nfs/dbraw/zinc/36/39/92/445363992.db2.gz TVIGFWMLQSOGOX-MRXNPFEDSA-N 2 1 333.476 1.518 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000348757204 445363994 /nfs/dbraw/zinc/36/39/94/445363994.db2.gz TVIGFWMLQSOGOX-MRXNPFEDSA-N 2 1 333.476 1.518 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000359742457 445402974 /nfs/dbraw/zinc/40/29/74/445402974.db2.gz JLMVLRAAODFXJT-RDJZCZTQSA-N 2 1 325.497 1.866 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000359742457 445402978 /nfs/dbraw/zinc/40/29/78/445402978.db2.gz JLMVLRAAODFXJT-RDJZCZTQSA-N 2 1 325.497 1.866 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000359742457 445402982 /nfs/dbraw/zinc/40/29/82/445402982.db2.gz JLMVLRAAODFXJT-RDJZCZTQSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1C[N@H+](CCOCC[NH3+])CCN1C(=O)Cc1cccc(Cl)c1 ZINC000357066129 445404121 /nfs/dbraw/zinc/40/41/21/445404121.db2.gz BIZZVHZJSIPZKL-CQSZACIVSA-N 2 1 339.867 1.391 20 0 EDADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])CCN1C(=O)Cc1cccc(Cl)c1 ZINC000357066129 445404124 /nfs/dbraw/zinc/40/41/24/445404124.db2.gz BIZZVHZJSIPZKL-CQSZACIVSA-N 2 1 339.867 1.391 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000362718412 445516534 /nfs/dbraw/zinc/51/65/34/445516534.db2.gz XBFXZCZZARUJSB-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP O=C1CNCCN1[C@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000362673567 445492704 /nfs/dbraw/zinc/49/27/04/445492704.db2.gz OXQCTQQFQXZTIJ-SWQCVOCJSA-N 2 1 335.398 1.874 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000355818594 445493345 /nfs/dbraw/zinc/49/33/45/445493345.db2.gz GQPYVZBQGZNOIZ-UHFFFAOYSA-N 2 1 346.519 1.752 20 0 EDADMP C[C@H](C(=O)N(CC[NH+](C)C)CC1CCCCC1)N1CC[NH+](C)CC1 ZINC000352778640 445555021 /nfs/dbraw/zinc/55/50/21/445555021.db2.gz LMTJLRKYNOHGKO-QGZVFWFLSA-N 2 1 338.540 1.593 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000355983909 445557383 /nfs/dbraw/zinc/55/73/83/445557383.db2.gz IYMZGAIPGLTUGN-LJQANCHMSA-N 2 1 346.475 1.017 20 0 EDADMP C[NH+](CCNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000355983909 445557384 /nfs/dbraw/zinc/55/73/84/445557384.db2.gz IYMZGAIPGLTUGN-LJQANCHMSA-N 2 1 346.475 1.017 20 0 EDADMP C[NH+](CCNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000355983909 445557386 /nfs/dbraw/zinc/55/73/86/445557386.db2.gz IYMZGAIPGLTUGN-LJQANCHMSA-N 2 1 346.475 1.017 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000357644897 445572841 /nfs/dbraw/zinc/57/28/41/445572841.db2.gz ZYZOKGUWHZZJJB-PMPSAXMXSA-N 2 1 328.501 1.514 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000362843848 445577542 /nfs/dbraw/zinc/57/75/42/445577542.db2.gz RKDQLNLFVJHLHV-QGZVFWFLSA-N 2 1 340.512 1.469 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000349434271 445586977 /nfs/dbraw/zinc/58/69/77/445586977.db2.gz OYCVWTVMHYDDSB-HOTGVXAUSA-N 2 1 340.512 1.214 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000360135342 445587804 /nfs/dbraw/zinc/58/78/04/445587804.db2.gz IWWDVZBPYBPTAL-ZACQAIPSSA-N 2 1 340.512 1.467 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000360135342 445587806 /nfs/dbraw/zinc/58/78/06/445587806.db2.gz IWWDVZBPYBPTAL-ZACQAIPSSA-N 2 1 340.512 1.467 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccccc1C[NH+](C)C ZINC000362768596 445540875 /nfs/dbraw/zinc/54/08/75/445540875.db2.gz FOIRWFAHPKKTDW-UHFFFAOYSA-N 2 1 346.519 1.846 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccccc1C[NH+](C)C ZINC000362768596 445540879 /nfs/dbraw/zinc/54/08/79/445540879.db2.gz FOIRWFAHPKKTDW-UHFFFAOYSA-N 2 1 346.519 1.846 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000360166693 445607443 /nfs/dbraw/zinc/60/74/43/445607443.db2.gz ZLPTVFSZQWKGNQ-JKSUJKDBSA-N 2 1 340.512 1.166 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000360166693 445607445 /nfs/dbraw/zinc/60/74/45/445607445.db2.gz ZLPTVFSZQWKGNQ-JKSUJKDBSA-N 2 1 340.512 1.166 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000360166693 445607449 /nfs/dbraw/zinc/60/74/49/445607449.db2.gz ZLPTVFSZQWKGNQ-JKSUJKDBSA-N 2 1 340.512 1.166 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000360171051 445609965 /nfs/dbraw/zinc/60/99/65/445609965.db2.gz MQBZVDVXWZNCSN-CVEARBPZSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000360171051 445609970 /nfs/dbraw/zinc/60/99/70/445609970.db2.gz MQBZVDVXWZNCSN-CVEARBPZSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000360171051 445609972 /nfs/dbraw/zinc/60/99/72/445609972.db2.gz MQBZVDVXWZNCSN-CVEARBPZSA-N 2 1 340.512 1.071 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000360210403 445630236 /nfs/dbraw/zinc/63/02/36/445630236.db2.gz XVTMHMXZWLFECT-IRXDYDNUSA-N 2 1 337.439 1.654 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)cn1 ZINC000358520383 445630689 /nfs/dbraw/zinc/63/06/89/445630689.db2.gz HCELBWAIRFPUGC-HNNXBMFYSA-N 2 1 336.484 1.070 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000362990801 445640932 /nfs/dbraw/zinc/64/09/32/445640932.db2.gz PXMJYDRRNUNHNE-FUHWJXTLSA-N 2 1 336.524 1.201 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)C[C@@H]1CC ZINC000353431664 445598501 /nfs/dbraw/zinc/59/85/01/445598501.db2.gz RHYMQESSMKGGAD-BBWFWOEESA-N 2 1 325.497 1.580 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cnn(CC(F)F)c1 ZINC000353552351 445653484 /nfs/dbraw/zinc/65/34/84/445653484.db2.gz XYJQTWRPJVZLTQ-UHFFFAOYSA-N 2 1 343.466 1.998 20 0 EDADMP [NH3+]C1(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CCOCC1 ZINC000353625526 445681499 /nfs/dbraw/zinc/68/14/99/445681499.db2.gz AYYJSMDWSJYIQN-UHFFFAOYSA-N 2 1 345.487 1.661 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C1 ZINC000363158717 445701863 /nfs/dbraw/zinc/70/18/63/445701863.db2.gz DAIABRACHZNPFS-NVXWUHKLSA-N 2 1 332.448 1.193 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C1 ZINC000363158717 445701869 /nfs/dbraw/zinc/70/18/69/445701869.db2.gz DAIABRACHZNPFS-NVXWUHKLSA-N 2 1 332.448 1.193 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000363158717 445701873 /nfs/dbraw/zinc/70/18/73/445701873.db2.gz DAIABRACHZNPFS-NVXWUHKLSA-N 2 1 332.448 1.193 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000363158717 445701877 /nfs/dbraw/zinc/70/18/77/445701877.db2.gz DAIABRACHZNPFS-NVXWUHKLSA-N 2 1 332.448 1.193 20 0 EDADMP CN(CC[N@H+]1CCCOCC1)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000361377977 445763162 /nfs/dbraw/zinc/76/31/62/445763162.db2.gz JTSDIIQXMOXNHT-PKOBYXMFSA-N 2 1 349.523 1.457 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000361377977 445763167 /nfs/dbraw/zinc/76/31/67/445763167.db2.gz JTSDIIQXMOXNHT-PKOBYXMFSA-N 2 1 349.523 1.457 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000361377977 445763172 /nfs/dbraw/zinc/76/31/72/445763172.db2.gz JTSDIIQXMOXNHT-PKOBYXMFSA-N 2 1 349.523 1.457 20 0 EDADMP CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000354014231 445855816 /nfs/dbraw/zinc/85/58/16/445855816.db2.gz KXZULWWYDMICPZ-JKSUJKDBSA-N 2 1 349.479 1.036 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000363683797 445869422 /nfs/dbraw/zinc/86/94/22/445869422.db2.gz UFYZILINSCRPKE-GVDBMIGSSA-N 2 1 336.480 1.119 20 0 EDADMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)C1 ZINC000365962948 445931486 /nfs/dbraw/zinc/93/14/86/445931486.db2.gz OZWCKYUNLYAQSS-SJORKVTESA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)C1 ZINC000365962948 445931490 /nfs/dbraw/zinc/93/14/90/445931490.db2.gz OZWCKYUNLYAQSS-SJORKVTESA-N 2 1 336.524 1.392 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000372997807 445966124 /nfs/dbraw/zinc/96/61/24/445966124.db2.gz KIXWEUQDJPCINF-FUHWJXTLSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000354242607 446037555 /nfs/dbraw/zinc/03/75/55/446037555.db2.gz YCQZHXPEEXXHGQ-QLFBSQMISA-N 2 1 328.501 1.059 20 0 EDADMP CCS(=O)(=O)N1CC(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000583018946 325981187 /nfs/dbraw/zinc/98/11/87/325981187.db2.gz NOXCJDIQIBPVNH-DLBZAZTESA-N 2 1 337.489 1.351 20 0 EDADMP C[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[NH+]1CC(C)C1 ZINC000583390131 326064182 /nfs/dbraw/zinc/06/41/82/326064182.db2.gz GKNHDABFXVQTSN-NXHRZFHOSA-N 2 1 331.460 1.078 20 0 EDADMP C[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[NH+]1CC(C)C1 ZINC000583390131 326064185 /nfs/dbraw/zinc/06/41/85/326064185.db2.gz GKNHDABFXVQTSN-NXHRZFHOSA-N 2 1 331.460 1.078 20 0 EDADMP C[C@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000583554205 326094353 /nfs/dbraw/zinc/09/43/53/326094353.db2.gz VLSOFFZJPFHNQG-KGLIPLIRSA-N 2 1 336.505 1.794 20 0 EDADMP C[C@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000583554205 326094356 /nfs/dbraw/zinc/09/43/56/326094356.db2.gz VLSOFFZJPFHNQG-KGLIPLIRSA-N 2 1 336.505 1.794 20 0 EDADMP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C1CCCC1 ZINC000583922397 326166442 /nfs/dbraw/zinc/16/64/42/326166442.db2.gz PEOABUGILPZWLP-QGZVFWFLSA-N 2 1 348.495 1.553 20 0 EDADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C1CCCC1 ZINC000583922397 326166445 /nfs/dbraw/zinc/16/64/45/326166445.db2.gz PEOABUGILPZWLP-QGZVFWFLSA-N 2 1 348.495 1.553 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ncc[nH]3)CC2)CC1 ZINC000584062919 326193489 /nfs/dbraw/zinc/19/34/89/326193489.db2.gz BUZWWFUWTMFKRR-CQSZACIVSA-N 2 1 333.480 1.783 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000373174306 446074794 /nfs/dbraw/zinc/07/47/94/446074794.db2.gz UPJOBTVUJFTXFH-DOTOQJQBSA-N 2 1 337.464 1.679 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c2ccccc2)CC1 ZINC000365220303 446085361 /nfs/dbraw/zinc/08/53/61/446085361.db2.gz GGXAEJATGFSDLR-QRQLOZEOSA-N 2 1 342.487 1.186 20 0 EDADMP Cc1cc(C)c(CCNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000351488493 446090213 /nfs/dbraw/zinc/09/02/13/446090213.db2.gz GADBUCKBKLKOSS-WDSOQIARSA-N 2 1 329.488 1.940 20 0 EDADMP Cc1cc(C)c(CCNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000351488493 446090220 /nfs/dbraw/zinc/09/02/20/446090220.db2.gz GADBUCKBKLKOSS-WDSOQIARSA-N 2 1 329.488 1.940 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N3CCN(c4ccc(F)cc4)CC3)C[C@H]12 ZINC000351490068 446092031 /nfs/dbraw/zinc/09/20/31/446092031.db2.gz HSTIIBAZOYZBFT-JCGIZDLHSA-N 2 1 346.450 1.143 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CCN(c4ccc(F)cc4)CC3)C[C@H]12 ZINC000351490068 446092038 /nfs/dbraw/zinc/09/20/38/446092038.db2.gz HSTIIBAZOYZBFT-JCGIZDLHSA-N 2 1 346.450 1.143 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000359280069 446116210 /nfs/dbraw/zinc/11/62/10/446116210.db2.gz WBWLMGDZDSUPME-OAHLLOKOSA-N 2 1 340.512 1.071 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000366269993 446118614 /nfs/dbraw/zinc/11/86/14/446118614.db2.gz VRJWDWPJZBHGRX-FUHWJXTLSA-N 2 1 338.496 1.080 20 0 EDADMP C[N@@H+](C[C@H]1CC2(CCC2)C(=O)O1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365275231 446120336 /nfs/dbraw/zinc/12/03/36/446120336.db2.gz NWLRPSGFVPJMQK-DLBZAZTESA-N 2 1 335.492 1.573 20 0 EDADMP CCC(CC)[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000359345970 446164239 /nfs/dbraw/zinc/16/42/39/446164239.db2.gz JFLCYIWBBQXNNX-FUHWJXTLSA-N 2 1 339.524 1.924 20 0 EDADMP CCC(CC)[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000359345970 446164242 /nfs/dbraw/zinc/16/42/42/446164242.db2.gz JFLCYIWBBQXNNX-FUHWJXTLSA-N 2 1 339.524 1.924 20 0 EDADMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000351591468 446188130 /nfs/dbraw/zinc/18/81/30/446188130.db2.gz FGGAAVLCXJVWEV-WOJBJXKFSA-N 2 1 347.503 1.010 20 0 EDADMP CN(C[C@@H](O)C[NH+](C)C1CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000351591468 446188133 /nfs/dbraw/zinc/18/81/33/446188133.db2.gz FGGAAVLCXJVWEV-WOJBJXKFSA-N 2 1 347.503 1.010 20 0 EDADMP CN(C[C@@H](O)C[NH+](C)C1CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000351591468 446188139 /nfs/dbraw/zinc/18/81/39/446188139.db2.gz FGGAAVLCXJVWEV-WOJBJXKFSA-N 2 1 347.503 1.010 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000359390819 446194148 /nfs/dbraw/zinc/19/41/48/446194148.db2.gz NJBOGCNJWHZFJG-AEFFLSMTSA-N 2 1 328.460 1.921 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000359390819 446194156 /nfs/dbraw/zinc/19/41/56/446194156.db2.gz NJBOGCNJWHZFJG-AEFFLSMTSA-N 2 1 328.460 1.921 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000359390819 446194162 /nfs/dbraw/zinc/19/41/62/446194162.db2.gz NJBOGCNJWHZFJG-AEFFLSMTSA-N 2 1 328.460 1.921 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000359390819 446194166 /nfs/dbraw/zinc/19/41/66/446194166.db2.gz NJBOGCNJWHZFJG-AEFFLSMTSA-N 2 1 328.460 1.921 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[NH+]2CCC1CC2 ZINC000370281260 446211171 /nfs/dbraw/zinc/21/11/71/446211171.db2.gz YSGMYBUAHYZCJC-UHFFFAOYSA-N 2 1 342.487 1.924 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)C[C@H](C)O1 ZINC000370296719 446220222 /nfs/dbraw/zinc/22/02/22/446220222.db2.gz DJJQKRPFTSZNKC-XDNAFOTISA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C[C@H](C)O1 ZINC000370296719 446220226 /nfs/dbraw/zinc/22/02/26/446220226.db2.gz DJJQKRPFTSZNKC-XDNAFOTISA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C[C@H](C)O1 ZINC000370296719 446220232 /nfs/dbraw/zinc/22/02/32/446220232.db2.gz DJJQKRPFTSZNKC-XDNAFOTISA-N 2 1 337.508 1.866 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000366521528 446247446 /nfs/dbraw/zinc/24/74/46/446247446.db2.gz ZDXDWYXJVUYQBK-QZTJIDSGSA-N 2 1 347.528 1.905 20 0 EDADMP C[C@H](C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000366687353 446310218 /nfs/dbraw/zinc/31/02/18/446310218.db2.gz MZCACOUVYNCXCN-BZUAXINKSA-N 2 1 325.497 1.553 20 0 EDADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000362315709 446317045 /nfs/dbraw/zinc/31/70/45/446317045.db2.gz DEHJHONTCADAQQ-LJQANCHMSA-N 2 1 342.487 1.653 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000365764546 446333322 /nfs/dbraw/zinc/33/33/22/446333322.db2.gz LJPWMUDYQYXUJR-MRXNPFEDSA-N 2 1 342.443 1.957 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370568525 446335663 /nfs/dbraw/zinc/33/56/63/446335663.db2.gz JGZQKKDWPSTKIP-BZUAXINKSA-N 2 1 326.485 1.269 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)Nc3ccncn3)CC2)CC1 ZINC000365773385 446337428 /nfs/dbraw/zinc/33/74/28/446337428.db2.gz BECUMWLUIUNTHC-UHFFFAOYSA-N 2 1 346.479 1.794 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000417332382 446345353 /nfs/dbraw/zinc/34/53/53/446345353.db2.gz QYSPRWNSQAQSPT-XUWVNRHRSA-N 2 1 326.485 1.255 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H](C)COC(C)C ZINC000374294864 446361130 /nfs/dbraw/zinc/36/11/30/446361130.db2.gz STJZZQQOBRSWHT-HNNXBMFYSA-N 2 1 337.512 1.774 20 0 EDADMP COC[C@]1(CNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CCC[NH2+]1 ZINC000417528714 446361445 /nfs/dbraw/zinc/36/14/45/446361445.db2.gz FNHKOYBARDSHCT-HLLBOEOZSA-N 2 1 326.485 1.317 20 0 EDADMP CCN(CCO)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365836939 446363195 /nfs/dbraw/zinc/36/31/95/446363195.db2.gz KIWMFGYGOUHRCQ-UHFFFAOYSA-N 2 1 340.512 1.207 20 0 EDADMP CCc1nccc([C@@H]2CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000374792664 446395748 /nfs/dbraw/zinc/39/57/48/446395748.db2.gz JKDORZCXCUIURZ-MRXNPFEDSA-N 2 1 345.491 1.383 20 0 EDADMP CCc1nccc([C@@H]2CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000374792664 446395753 /nfs/dbraw/zinc/39/57/53/446395753.db2.gz JKDORZCXCUIURZ-MRXNPFEDSA-N 2 1 345.491 1.383 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000417950102 446396115 /nfs/dbraw/zinc/39/61/15/446396115.db2.gz VPZOXYGAHICADM-BRSBDYLESA-N 2 1 346.475 1.580 20 0 EDADMP C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000374875074 446429033 /nfs/dbraw/zinc/42/90/33/446429033.db2.gz HOXHJQKDMCNOEL-QAPCUYQASA-N 2 1 331.460 1.475 20 0 EDADMP C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000374875074 446429037 /nfs/dbraw/zinc/42/90/37/446429037.db2.gz HOXHJQKDMCNOEL-QAPCUYQASA-N 2 1 331.460 1.475 20 0 EDADMP COCC[NH2+]CCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000418138540 446441416 /nfs/dbraw/zinc/44/14/16/446441416.db2.gz GJTSILQSJOHPFA-MRXNPFEDSA-N 2 1 326.485 1.319 20 0 EDADMP COC(=O)C(C)(C)CC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374809468 446402515 /nfs/dbraw/zinc/40/25/15/446402515.db2.gz IJHNMTKAAFTJRD-INIZCTEOSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417994763 446410280 /nfs/dbraw/zinc/41/02/80/446410280.db2.gz YZXGHHHCVOFNCB-GXTWGEPZSA-N 2 1 328.407 1.789 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418004007 446412475 /nfs/dbraw/zinc/41/24/75/446412475.db2.gz ZIATVGRIEKRCRX-MAUKXSAKSA-N 2 1 346.475 1.052 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000418191164 446454390 /nfs/dbraw/zinc/45/43/90/446454390.db2.gz KKYGMACMSOVUKI-BGTYHANMSA-N 2 1 328.460 1.510 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCS(=O)(=O)N(C)C)C1 ZINC000367013544 446461411 /nfs/dbraw/zinc/46/14/11/446461411.db2.gz AKJUWYFDWLJJCY-HOTGVXAUSA-N 2 1 331.526 1.464 20 0 EDADMP C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)CC[C@H]1CC[NH2+]C1 ZINC000420316057 446481323 /nfs/dbraw/zinc/48/13/23/446481323.db2.gz MGWXUMINIXXBLB-OAHLLOKOSA-N 2 1 340.489 1.790 20 0 EDADMP COC[C@]1(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC[NH2+]C1 ZINC000423301746 446479719 /nfs/dbraw/zinc/47/97/19/446479719.db2.gz GFMSZFHYLZJBDN-WBVHZDCISA-N 2 1 339.867 1.685 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000423301823 446479851 /nfs/dbraw/zinc/47/98/51/446479851.db2.gz GPPVCZJIKNSZQI-QGZVFWFLSA-N 2 1 333.476 1.535 20 0 EDADMP C[NH2+]CCCNC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000418275947 446481965 /nfs/dbraw/zinc/48/19/65/446481965.db2.gz DUXKJEZBKOIJQT-UHFFFAOYSA-N 2 1 334.464 1.522 20 0 EDADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000420325715 446493208 /nfs/dbraw/zinc/49/32/08/446493208.db2.gz BRTBWPPSICIZLN-HZSPNIEDSA-N 2 1 333.398 1.719 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCOc1ccc(F)cc1 ZINC000420327931 446495768 /nfs/dbraw/zinc/49/57/68/446495768.db2.gz LTLMCKQLAHTFHD-HZPDHXFCSA-N 2 1 349.450 1.642 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418332500 446503429 /nfs/dbraw/zinc/50/34/29/446503429.db2.gz SOFBUSACROJFTF-QZTJIDSGSA-N 2 1 345.491 1.830 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420334059 446504205 /nfs/dbraw/zinc/50/42/05/446504205.db2.gz KZTQMNROMWFQDS-OTWHNJEPSA-N 3 1 344.503 1.337 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418337122 446506004 /nfs/dbraw/zinc/50/60/04/446506004.db2.gz JKZXLUCFMBLOJU-DLBZAZTESA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418337122 446506010 /nfs/dbraw/zinc/50/60/10/446506010.db2.gz JKZXLUCFMBLOJU-DLBZAZTESA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420335707 446506513 /nfs/dbraw/zinc/50/65/13/446506513.db2.gz LXNZZAXVMAAOKA-BHYGNILZSA-N 2 1 344.459 1.332 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418340452 446508024 /nfs/dbraw/zinc/50/80/24/446508024.db2.gz NQTAOJAIQLBFDT-DOTOQJQBSA-N 2 1 331.464 1.439 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423378651 446510507 /nfs/dbraw/zinc/51/05/07/446510507.db2.gz MLMBVWZDLSFZOB-QLFBSQMISA-N 2 1 333.480 1.869 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)cc2)CC1 ZINC000423358800 446498429 /nfs/dbraw/zinc/49/84/29/446498429.db2.gz UKUFMAJLBKERNA-SFHVURJKSA-N 2 1 344.459 1.069 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC(=O)NC1CCCCC1 ZINC000420330226 446498566 /nfs/dbraw/zinc/49/85/66/446498566.db2.gz ALCOYJFMLLRMHZ-GJZGRUSLSA-N 2 1 336.480 1.466 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367068265 446500588 /nfs/dbraw/zinc/50/05/88/446500588.db2.gz WMQNRQKMIKRJJD-AEFFLSMTSA-N 2 1 330.476 1.862 20 0 EDADMP O[C@@H](COc1cccc(C(F)(F)F)c1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000620119839 450433637 /nfs/dbraw/zinc/43/36/37/450433637.db2.gz VWVUNTCWKJMJRW-MBNYWOFBSA-N 2 1 330.350 1.596 20 0 EDADMP O[C@@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000620119839 450433640 /nfs/dbraw/zinc/43/36/40/450433640.db2.gz VWVUNTCWKJMJRW-MBNYWOFBSA-N 2 1 330.350 1.596 20 0 EDADMP c1ccc2c(c1)C[C@@H]2C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000376542965 446564763 /nfs/dbraw/zinc/56/47/63/446564763.db2.gz RXKBKXMWVWUXBS-LJQANCHMSA-N 2 1 329.488 1.666 20 0 EDADMP O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000418368248 446516704 /nfs/dbraw/zinc/51/67/04/446516704.db2.gz LOPWLWVMQDWHRA-HKUYNNGSSA-N 2 1 346.475 1.065 20 0 EDADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC[C@H]1Cc2ccccc2O1 ZINC000420345451 446517730 /nfs/dbraw/zinc/51/77/30/446517730.db2.gz VLCIKWQAVFLLHP-IXDOHACOSA-N 2 1 329.444 1.038 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433389670 446566974 /nfs/dbraw/zinc/56/69/74/446566974.db2.gz MLVPCAQLUQXLNK-INIZCTEOSA-N 2 1 328.501 1.518 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433389670 446566981 /nfs/dbraw/zinc/56/69/81/446566981.db2.gz MLVPCAQLUQXLNK-INIZCTEOSA-N 2 1 328.501 1.518 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433389670 446566984 /nfs/dbraw/zinc/56/69/84/446566984.db2.gz MLVPCAQLUQXLNK-INIZCTEOSA-N 2 1 328.501 1.518 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000418393044 446526742 /nfs/dbraw/zinc/52/67/42/446526742.db2.gz QPZGBKGJWQLJOS-INIZCTEOSA-N 2 1 348.491 1.768 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)CC2)nc(C)[nH+]1 ZINC000423439632 446536980 /nfs/dbraw/zinc/53/69/80/446536980.db2.gz SOPLMBMOKQUFCG-KRWDZBQOSA-N 2 1 345.491 1.957 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418419148 446538700 /nfs/dbraw/zinc/53/87/00/446538700.db2.gz ZAGCSHSCCXKZPP-SJORKVTESA-N 3 1 341.544 1.417 20 0 EDADMP COC1([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453124165 446545242 /nfs/dbraw/zinc/54/52/42/446545242.db2.gz NRPPKJPAPLLTFH-IEBWSBKVSA-N 2 1 348.487 1.797 20 0 EDADMP COC1([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453124165 446545245 /nfs/dbraw/zinc/54/52/45/446545245.db2.gz NRPPKJPAPLLTFH-IEBWSBKVSA-N 2 1 348.487 1.797 20 0 EDADMP COC1([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)CCOCC1 ZINC000453101852 446546444 /nfs/dbraw/zinc/54/64/44/446546444.db2.gz ADCRPUHDNBEDJN-INIZCTEOSA-N 2 1 327.513 1.434 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000418452146 446547381 /nfs/dbraw/zinc/54/73/81/446547381.db2.gz XBEAJPVMJKKFRG-HZPDHXFCSA-N 2 1 328.501 1.646 20 0 EDADMP CCOC(=O)c1ccc(N2CCC[N@@H+](CC3CC[NH2+]CC3)CC2)nc1 ZINC000420370900 446547890 /nfs/dbraw/zinc/54/78/90/446547890.db2.gz ZKYFCMNWSIUVIV-UHFFFAOYSA-N 2 1 346.475 1.770 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000453241995 446551272 /nfs/dbraw/zinc/55/12/72/446551272.db2.gz DZNJDKOFYMUWAU-DYEKYZERSA-N 2 1 342.281 1.929 20 0 EDADMP CC(C)CN(C(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C(C)C ZINC000420372288 446551290 /nfs/dbraw/zinc/55/12/90/446551290.db2.gz DYPZRFCNIIVFLN-MRXNPFEDSA-N 2 1 336.484 1.267 20 0 EDADMP CC(C)CN(C(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C(C)C ZINC000420372288 446551294 /nfs/dbraw/zinc/55/12/94/446551294.db2.gz DYPZRFCNIIVFLN-MRXNPFEDSA-N 2 1 336.484 1.267 20 0 EDADMP CC[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000420378487 446555277 /nfs/dbraw/zinc/55/52/77/446555277.db2.gz UNLUJOHXNNKART-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP CC[C@H]1CN(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420378487 446555284 /nfs/dbraw/zinc/55/52/84/446555284.db2.gz UNLUJOHXNNKART-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP CC[C@H]1CN(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000420378487 446555289 /nfs/dbraw/zinc/55/52/89/446555289.db2.gz UNLUJOHXNNKART-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC1CCC([NH+]2CCNCC2)CC1)C1CCCC1 ZINC000418603016 446611289 /nfs/dbraw/zinc/61/12/89/446611289.db2.gz WJKZZGUKJPEYGR-OFLPRAFFSA-N 2 1 337.512 1.020 20 0 EDADMP CC(C)CCOCC[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420400510 446572963 /nfs/dbraw/zinc/57/29/63/446572963.db2.gz JSRAYSDJXKQLQS-IAGOWNOFSA-N 2 1 338.496 1.269 20 0 EDADMP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420401065 446575232 /nfs/dbraw/zinc/57/52/32/446575232.db2.gz GENAAWKYYDOYOD-INIZCTEOSA-N 2 1 349.475 1.438 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CC2CC[NH+](C)CC2)CCCO1 ZINC000433449436 446575384 /nfs/dbraw/zinc/57/53/84/446575384.db2.gz GCIVEYPCANGQDA-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC(F)(F)C[NH3+] ZINC000418528974 446582247 /nfs/dbraw/zinc/58/22/47/446582247.db2.gz WJVVUQJEIUFZCA-UHFFFAOYSA-N 2 1 328.407 1.874 20 0 EDADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420409655 446583081 /nfs/dbraw/zinc/58/30/81/446583081.db2.gz YWZDRPRHKMQBMK-CQSZACIVSA-N 2 1 345.443 1.738 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC000371064883 446606542 /nfs/dbraw/zinc/60/65/42/446606542.db2.gz NBUBQYGILSRRAR-IRXDYDNUSA-N 2 1 334.439 1.964 20 0 EDADMP C[NH+](CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC000371064883 446606546 /nfs/dbraw/zinc/60/65/46/446606546.db2.gz NBUBQYGILSRRAR-IRXDYDNUSA-N 2 1 334.439 1.964 20 0 EDADMP C[NH+](CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC000371064883 446606552 /nfs/dbraw/zinc/60/65/52/446606552.db2.gz NBUBQYGILSRRAR-IRXDYDNUSA-N 2 1 334.439 1.964 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000434360506 446641666 /nfs/dbraw/zinc/64/16/66/446641666.db2.gz BIEOQXSKMNRHDX-XHSDSOJGSA-N 2 1 338.496 1.387 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000434360506 446641672 /nfs/dbraw/zinc/64/16/72/446641672.db2.gz BIEOQXSKMNRHDX-XHSDSOJGSA-N 2 1 338.496 1.387 20 0 EDADMP C[C@H](NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000434360506 446641680 /nfs/dbraw/zinc/64/16/80/446641680.db2.gz BIEOQXSKMNRHDX-XHSDSOJGSA-N 2 1 338.496 1.387 20 0 EDADMP C[C@H](NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000434360506 446641687 /nfs/dbraw/zinc/64/16/87/446641687.db2.gz BIEOQXSKMNRHDX-XHSDSOJGSA-N 2 1 338.496 1.387 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)CC2)cc1 ZINC000423727226 446663708 /nfs/dbraw/zinc/66/37/08/446663708.db2.gz KKQAUEUZFGKPIW-APWZRJJASA-N 2 1 329.444 1.482 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)CC2)cc1 ZINC000423727226 446663715 /nfs/dbraw/zinc/66/37/15/446663715.db2.gz KKQAUEUZFGKPIW-APWZRJJASA-N 2 1 329.444 1.482 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000423739749 446671801 /nfs/dbraw/zinc/67/18/01/446671801.db2.gz HXIQTAFHTIVINX-MSOLQXFVSA-N 2 1 336.524 1.395 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000418636019 446626120 /nfs/dbraw/zinc/62/61/20/446626120.db2.gz LRQJZRHMUZDYGY-YTQUADARSA-N 2 1 342.487 1.999 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000418652021 446634477 /nfs/dbraw/zinc/63/44/77/446634477.db2.gz MIJYNNRZUFFZQR-QAPCUYQASA-N 2 1 348.491 1.611 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000418652021 446634483 /nfs/dbraw/zinc/63/44/83/446634483.db2.gz MIJYNNRZUFFZQR-QAPCUYQASA-N 2 1 348.491 1.611 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC[N@H+]1CCOC ZINC000418771976 446689823 /nfs/dbraw/zinc/68/98/23/446689823.db2.gz PSDIGZSVLLJPDZ-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP C[NH+](C)CCOC1CCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)CC1 ZINC000435348675 446694453 /nfs/dbraw/zinc/69/44/53/446694453.db2.gz DTKSTDBIOPAYJL-HNNXBMFYSA-N 2 1 349.479 1.615 20 0 EDADMP CC[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000423826942 446716259 /nfs/dbraw/zinc/71/62/59/446716259.db2.gz PIWDILJFHQXOHZ-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280649 446740164 /nfs/dbraw/zinc/74/01/64/446740164.db2.gz RJVLTRXWCWQAJW-WMZOPIPTSA-N 2 1 330.476 1.361 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280649 446740168 /nfs/dbraw/zinc/74/01/68/446740168.db2.gz RJVLTRXWCWQAJW-WMZOPIPTSA-N 2 1 330.476 1.361 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423753433 446683394 /nfs/dbraw/zinc/68/33/94/446683394.db2.gz BTPZTHRQRSKWTL-GJZGRUSLSA-N 2 1 335.496 1.737 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000376872163 446768203 /nfs/dbraw/zinc/76/82/03/446768203.db2.gz IYUJKUFAZGEDRB-KBAYOESNSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000376872163 446768212 /nfs/dbraw/zinc/76/82/12/446768212.db2.gz IYUJKUFAZGEDRB-KBAYOESNSA-N 2 1 346.475 1.140 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000454085323 446770107 /nfs/dbraw/zinc/77/01/07/446770107.db2.gz FJZVZNUEYBTGLK-QGZVFWFLSA-N 2 1 344.459 1.512 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000454085323 446770115 /nfs/dbraw/zinc/77/01/15/446770115.db2.gz FJZVZNUEYBTGLK-QGZVFWFLSA-N 2 1 344.459 1.512 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000454085323 446770121 /nfs/dbraw/zinc/77/01/21/446770121.db2.gz FJZVZNUEYBTGLK-QGZVFWFLSA-N 2 1 344.459 1.512 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000454085323 446770128 /nfs/dbraw/zinc/77/01/28/446770128.db2.gz FJZVZNUEYBTGLK-QGZVFWFLSA-N 2 1 344.459 1.512 20 0 EDADMP CCOC(=O)CCCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371342053 446789779 /nfs/dbraw/zinc/78/97/79/446789779.db2.gz UKRUMWGAMVPTAD-IRXDYDNUSA-N 2 1 325.497 1.678 20 0 EDADMP [NH3+]C1(CNC(=O)C2([NH3+])CCCCC2)CCN(Cc2ccccc2)CC1 ZINC000424035363 446827496 /nfs/dbraw/zinc/82/74/96/446827496.db2.gz FOPUPYNGFPJTHX-UHFFFAOYSA-N 2 1 344.503 1.758 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000368401949 446839215 /nfs/dbraw/zinc/83/92/15/446839215.db2.gz HQBURXCSHFZESM-GJZGRUSLSA-N 2 1 349.523 1.916 20 0 EDADMP CS[C@@H]1C[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@H]1N(C)C ZINC000420928996 446899103 /nfs/dbraw/zinc/89/91/03/446899103.db2.gz DHMNGSCJDLQGEX-RTBURBONSA-N 2 1 349.544 1.996 20 0 EDADMP CS[C@@H]1CN(Cc2ccc(CN3CCOCC3)cc2)C[C@H]1[NH+](C)C ZINC000420928996 446899110 /nfs/dbraw/zinc/89/91/10/446899110.db2.gz DHMNGSCJDLQGEX-RTBURBONSA-N 2 1 349.544 1.996 20 0 EDADMP CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420904237 446881647 /nfs/dbraw/zinc/88/16/47/446881647.db2.gz PEFISSOXXRUFJB-LJQANCHMSA-N 2 1 331.460 1.619 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccnc(N2CCOCC2)n1 ZINC000377080169 446907780 /nfs/dbraw/zinc/90/77/80/446907780.db2.gz FDFFBGUBYLJQTQ-OAHLLOKOSA-N 2 1 347.463 1.003 20 0 EDADMP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCO1 ZINC000420958787 446929578 /nfs/dbraw/zinc/92/95/78/446929578.db2.gz FHWHQKDDIRFQGS-RBUKOAKNSA-N 2 1 334.460 1.802 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000442763204 446956069 /nfs/dbraw/zinc/95/60/69/446956069.db2.gz AUZBRNUPYKTPNA-JKSUJKDBSA-N 2 1 341.459 1.217 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000442763204 446956083 /nfs/dbraw/zinc/95/60/83/446956083.db2.gz AUZBRNUPYKTPNA-JKSUJKDBSA-N 2 1 341.459 1.217 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000442763985 446957050 /nfs/dbraw/zinc/95/70/50/446957050.db2.gz SQXDVXISYWAAEC-IAGOWNOFSA-N 2 1 345.487 1.520 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000442763985 446957056 /nfs/dbraw/zinc/95/70/56/446957056.db2.gz SQXDVXISYWAAEC-IAGOWNOFSA-N 2 1 345.487 1.520 20 0 EDADMP CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442777402 446966189 /nfs/dbraw/zinc/96/61/89/446966189.db2.gz IKMAQPRPHVRJOQ-ILXRZTDVSA-N 2 1 349.475 1.940 20 0 EDADMP CCOc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442777402 446966192 /nfs/dbraw/zinc/96/61/92/446966192.db2.gz IKMAQPRPHVRJOQ-ILXRZTDVSA-N 2 1 349.475 1.940 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419169171 446985509 /nfs/dbraw/zinc/98/55/09/446985509.db2.gz LUYUFQDLTJIYFA-HZPDHXFCSA-N 2 1 338.496 1.016 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425013512 446991789 /nfs/dbraw/zinc/99/17/89/446991789.db2.gz QYCROICVVQXNQG-XGXHKWSGSA-N 2 1 327.472 1.917 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425013512 446991793 /nfs/dbraw/zinc/99/17/93/446991793.db2.gz QYCROICVVQXNQG-XGXHKWSGSA-N 2 1 327.472 1.917 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425013512 446991796 /nfs/dbraw/zinc/99/17/96/446991796.db2.gz QYCROICVVQXNQG-XGXHKWSGSA-N 2 1 327.472 1.917 20 0 EDADMP COCCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000443061714 447001715 /nfs/dbraw/zinc/00/17/15/447001715.db2.gz SKPKOAWCUMDQFL-CQSZACIVSA-N 2 1 340.493 1.703 20 0 EDADMP COCCN(C(C)=O)c1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000443061714 447001722 /nfs/dbraw/zinc/00/17/22/447001722.db2.gz SKPKOAWCUMDQFL-CQSZACIVSA-N 2 1 340.493 1.703 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC2CC3)C[C@H](C)O1 ZINC000377303763 447051754 /nfs/dbraw/zinc/05/17/54/447051754.db2.gz KUMKDRUNEIZOKS-GASCZTMLSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC2CC3)C[C@H](C)O1 ZINC000377303763 447051763 /nfs/dbraw/zinc/05/17/63/447051763.db2.gz KUMKDRUNEIZOKS-GASCZTMLSA-N 2 1 338.496 1.364 20 0 EDADMP O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000375794785 447056621 /nfs/dbraw/zinc/05/66/21/447056621.db2.gz VRGUSLKLZRNPNT-IAGOWNOFSA-N 2 1 339.480 1.842 20 0 EDADMP O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000375794785 447056626 /nfs/dbraw/zinc/05/66/26/447056626.db2.gz VRGUSLKLZRNPNT-IAGOWNOFSA-N 2 1 339.480 1.842 20 0 EDADMP CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000375797605 447057500 /nfs/dbraw/zinc/05/75/00/447057500.db2.gz VXAOZFZOXQDKJW-ZBFHGGJFSA-N 2 1 333.480 1.909 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H]1c1cccs1 ZINC000372460459 447062503 /nfs/dbraw/zinc/06/25/03/447062503.db2.gz QJTBLNLDGWXIQD-BZNIZROVSA-N 2 1 345.472 1.540 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368782123 447101907 /nfs/dbraw/zinc/10/19/07/447101907.db2.gz QPGWFZICZQUIDU-DLBZAZTESA-N 2 1 331.460 1.870 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368782123 447101915 /nfs/dbraw/zinc/10/19/15/447101915.db2.gz QPGWFZICZQUIDU-DLBZAZTESA-N 2 1 331.460 1.870 20 0 EDADMP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000444175820 447089415 /nfs/dbraw/zinc/08/94/15/447089415.db2.gz LVNNPEYFODWXHS-HKUYNNGSSA-N 2 1 331.435 1.860 20 0 EDADMP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000444175820 447089419 /nfs/dbraw/zinc/08/94/19/447089419.db2.gz LVNNPEYFODWXHS-HKUYNNGSSA-N 2 1 331.435 1.860 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[N@H+]1CCc2ccccc2C1 ZINC000444187717 447092513 /nfs/dbraw/zinc/09/25/13/447092513.db2.gz SNLGJCFGIITIDH-WSTZPKSXSA-N 2 1 327.472 1.939 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCC[NH+](CC(C)(C)O)CC1)C1CCCC1 ZINC000372505857 447094724 /nfs/dbraw/zinc/09/47/24/447094724.db2.gz SPBRUMJTVBMWQT-UHFFFAOYSA-N 2 1 340.512 1.349 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000419404746 447155666 /nfs/dbraw/zinc/15/56/66/447155666.db2.gz GHKUUUZIEUXDIM-CVEARBPZSA-N 2 1 340.512 1.203 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)cc2)CC1 ZINC000375930306 447156673 /nfs/dbraw/zinc/15/66/73/447156673.db2.gz HRNREUHFOYPTHO-PKOBYXMFSA-N 2 1 342.487 1.258 20 0 EDADMP CN(C)CC[N@H+](C)CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000377437180 447132819 /nfs/dbraw/zinc/13/28/19/447132819.db2.gz ATDFQGLNQHAFGF-INIZCTEOSA-N 2 1 333.480 1.508 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000377437180 447132824 /nfs/dbraw/zinc/13/28/24/447132824.db2.gz ATDFQGLNQHAFGF-INIZCTEOSA-N 2 1 333.480 1.508 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@H]2[C@@H]1c1ccccc1 ZINC000375967679 447180448 /nfs/dbraw/zinc/18/04/48/447180448.db2.gz DUSKHIHPEXZBBL-MTNOOBJLSA-N 2 1 329.444 1.126 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419446429 447182039 /nfs/dbraw/zinc/18/20/39/447182039.db2.gz VJAYUISCWBCHMX-HZPDHXFCSA-N 2 1 348.491 1.345 20 0 EDADMP COC1(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CCOCC1 ZINC000368897634 447188056 /nfs/dbraw/zinc/18/80/56/447188056.db2.gz RZDLJYKSSPOAPN-QGZVFWFLSA-N 2 1 325.497 1.284 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000377536843 447188548 /nfs/dbraw/zinc/18/85/48/447188548.db2.gz XNQUNQFPUJJNCL-NBOOPKSLSA-N 2 1 345.443 1.028 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)CN2CCc3sccc3C2)C[C@H]1C ZINC000372647823 447204967 /nfs/dbraw/zinc/20/49/67/447204967.db2.gz FFFVHFLNRPJRIV-KGLIPLIRSA-N 2 1 337.489 1.020 20 0 EDADMP C[C@H](O)CN1CCN(C(=O)CN2CCc3sccc3C2)C[C@H]1C ZINC000372647823 447204973 /nfs/dbraw/zinc/20/49/73/447204973.db2.gz FFFVHFLNRPJRIV-KGLIPLIRSA-N 2 1 337.489 1.020 20 0 EDADMP COc1cc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)ccc1O ZINC000377617687 447247270 /nfs/dbraw/zinc/24/72/70/447247270.db2.gz BDEQBQDUXXOOKS-QGZVFWFLSA-N 2 1 333.476 1.860 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000421700046 447220196 /nfs/dbraw/zinc/22/01/96/447220196.db2.gz CWQWPFDOQOFPKC-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000421700046 447220201 /nfs/dbraw/zinc/22/02/01/447220201.db2.gz CWQWPFDOQOFPKC-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000421700046 447220206 /nfs/dbraw/zinc/22/02/06/447220206.db2.gz CWQWPFDOQOFPKC-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000421700046 447220211 /nfs/dbraw/zinc/22/02/11/447220211.db2.gz CWQWPFDOQOFPKC-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000419501400 447228516 /nfs/dbraw/zinc/22/85/16/447228516.db2.gz BGSOCEPDGBJSQZ-ZIAGYGMSSA-N 2 1 334.464 1.169 20 0 EDADMP CCC[C@]1(CO)CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000377601689 447235977 /nfs/dbraw/zinc/23/59/77/447235977.db2.gz AODWHYPLVIIPFQ-SFHVURJKSA-N 2 1 325.497 1.460 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1 ZINC000413869833 447260410 /nfs/dbraw/zinc/26/04/10/447260410.db2.gz YZVAMSNHZFNXSW-PMRDEQMMSA-N 2 1 338.496 1.364 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000413869833 447260416 /nfs/dbraw/zinc/26/04/16/447260416.db2.gz YZVAMSNHZFNXSW-PMRDEQMMSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377634469 447261207 /nfs/dbraw/zinc/26/12/07/447261207.db2.gz XNWLPSMDZCTVMH-FUHWJXTLSA-N 2 1 344.507 1.287 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379647500 447453921 /nfs/dbraw/zinc/45/39/21/447453921.db2.gz KIGSTHPHEBPZCS-YZGWKJHDSA-N 2 1 347.503 1.322 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000379647500 447453927 /nfs/dbraw/zinc/45/39/27/447453927.db2.gz KIGSTHPHEBPZCS-YZGWKJHDSA-N 2 1 347.503 1.322 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415467999 447459208 /nfs/dbraw/zinc/45/92/08/447459208.db2.gz VWYPEDRXRCOXIL-KRWDZBQOSA-N 2 1 346.475 1.361 20 0 EDADMP CCN(C(=O)C(=O)NCC[NH2+]C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000419897541 447476652 /nfs/dbraw/zinc/47/66/52/447476652.db2.gz OLHNHMYCVGPWDZ-RDJZCZTQSA-N 2 1 346.475 1.006 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000415499861 447482487 /nfs/dbraw/zinc/48/24/87/447482487.db2.gz LOFAVRLKBVGCTL-HNNXBMFYSA-N 2 1 346.475 1.984 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000415499861 447482488 /nfs/dbraw/zinc/48/24/88/447482488.db2.gz LOFAVRLKBVGCTL-HNNXBMFYSA-N 2 1 346.475 1.984 20 0 EDADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])c2C1 ZINC000415506533 447485812 /nfs/dbraw/zinc/48/58/12/447485812.db2.gz BDAMXTMFAHCGID-UONOGXRCSA-N 2 1 346.475 1.696 20 0 EDADMP CC(=O)[C@](C)(O)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000450569772 447528634 /nfs/dbraw/zinc/52/86/34/447528634.db2.gz PPHHDBJEWZCKQI-LJQANCHMSA-N 2 1 349.475 1.089 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000427271211 447571491 /nfs/dbraw/zinc/57/14/91/447571491.db2.gz CBOHXNRXIVHFLO-KRWDZBQOSA-N 2 1 344.503 1.440 20 0 EDADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C[C@@H]4COCCO4)CC3)C2)cc1 ZINC000450979412 447641349 /nfs/dbraw/zinc/64/13/49/447641349.db2.gz ANJMZTFPZCXFRL-VQTJNVASSA-N 2 1 345.487 1.294 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C[C@@H]4COCCO4)CC3)C2)cc1 ZINC000450979412 447641353 /nfs/dbraw/zinc/64/13/53/447641353.db2.gz ANJMZTFPZCXFRL-VQTJNVASSA-N 2 1 345.487 1.294 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)CNC(C)(C)C[NH+](C)C)CC2)c1 ZINC000459535611 447697959 /nfs/dbraw/zinc/69/79/59/447697959.db2.gz KHVDTGQHVUFHPS-UHFFFAOYSA-N 2 1 346.519 1.569 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000416861969 447698243 /nfs/dbraw/zinc/69/82/43/447698243.db2.gz FOUPYKXSEDFIQV-CVEARBPZSA-N 2 1 326.485 1.032 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000416869403 447699534 /nfs/dbraw/zinc/69/95/34/447699534.db2.gz NGSGKAPENYHIGT-HZPDHXFCSA-N 2 1 326.485 1.175 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000416922235 447709798 /nfs/dbraw/zinc/70/97/98/447709798.db2.gz OPLXCCUZNCPIMB-OKILXGFUSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000416922235 447709799 /nfs/dbraw/zinc/70/97/99/447709799.db2.gz OPLXCCUZNCPIMB-OKILXGFUSA-N 2 1 326.485 1.268 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000457913848 447670079 /nfs/dbraw/zinc/67/00/79/447670079.db2.gz ORKIPUDWDZKQKK-RCCFBDPRSA-N 2 1 330.476 1.505 20 0 EDADMP C[N@@H+]1CCCC12CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC2 ZINC000496262957 447750097 /nfs/dbraw/zinc/75/00/97/447750097.db2.gz KJBYRNJTZRQMTM-QGZVFWFLSA-N 2 1 341.496 1.822 20 0 EDADMP C[N@H+]1CCCC12CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC2 ZINC000496262957 447750102 /nfs/dbraw/zinc/75/01/02/447750102.db2.gz KJBYRNJTZRQMTM-QGZVFWFLSA-N 2 1 341.496 1.822 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000496385708 447761758 /nfs/dbraw/zinc/76/17/58/447761758.db2.gz UGTMEIBOZSPWGK-RVKKMQEKSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000496385708 447761762 /nfs/dbraw/zinc/76/17/62/447761762.db2.gz UGTMEIBOZSPWGK-RVKKMQEKSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000496385708 447761767 /nfs/dbraw/zinc/76/17/67/447761767.db2.gz UGTMEIBOZSPWGK-RVKKMQEKSA-N 2 1 341.496 1.678 20 0 EDADMP COc1ccc(C(=O)NCC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422948392 447778564 /nfs/dbraw/zinc/77/85/64/447778564.db2.gz RFCPHAHCVYZPBH-DNVCBOLYSA-N 2 1 341.455 1.973 20 0 EDADMP O=S(=O)(c1cccc(F)c1)N(CCC[NH2+][C@@H]1CC[NH2+]C1)C1CC1 ZINC000423017540 447791267 /nfs/dbraw/zinc/79/12/67/447791267.db2.gz WMPNTTXTZMZYKZ-CQSZACIVSA-N 2 1 341.452 1.320 20 0 EDADMP CCOC1CC(C[NH2+][C@@H](CC)[C@H]2CCCC[NH2+]2)(N2CCOCC2)C1 ZINC000423078986 447801078 /nfs/dbraw/zinc/80/10/78/447801078.db2.gz XDCOJRRAVBMGQW-CXUOOODFSA-N 2 1 339.524 1.767 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000469699486 447803134 /nfs/dbraw/zinc/80/31/34/447803134.db2.gz GEUOSYFTESVHFO-HZMVEIRTSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000423113948 447807689 /nfs/dbraw/zinc/80/76/89/447807689.db2.gz VALLVYCLUMXYHP-OOHRUWKFSA-N 3 1 336.524 1.580 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000487940368 447838332 /nfs/dbraw/zinc/83/83/32/447838332.db2.gz CXFNEURSDOPODL-NBOOPKSLSA-N 2 1 347.507 1.459 20 0 EDADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000487940368 447838334 /nfs/dbraw/zinc/83/83/34/447838334.db2.gz CXFNEURSDOPODL-NBOOPKSLSA-N 2 1 347.507 1.459 20 0 EDADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000487940368 447838336 /nfs/dbraw/zinc/83/83/36/447838336.db2.gz CXFNEURSDOPODL-NBOOPKSLSA-N 2 1 347.507 1.459 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCCN2CCO[C@@H](CC)C2)C1 ZINC000488393476 447846734 /nfs/dbraw/zinc/84/67/34/447846734.db2.gz RSRJRDZPNMSGAK-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP CNC(=O)CCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000569706664 447873271 /nfs/dbraw/zinc/87/32/71/447873271.db2.gz RDPDRAQZDNGLSE-HZPDHXFCSA-N 2 1 341.496 1.103 20 0 EDADMP C[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000569707728 447873461 /nfs/dbraw/zinc/87/34/61/447873461.db2.gz KIMQPSUBHCGPAU-XJKSGUPXSA-N 2 1 332.448 1.399 20 0 EDADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496745792 447876350 /nfs/dbraw/zinc/87/63/50/447876350.db2.gz OUOBQMSMCQOTMD-KRWDZBQOSA-N 2 1 335.448 1.300 20 0 EDADMP CN(C(=O)C[NH+]1CC(C)(C)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000569741219 447880786 /nfs/dbraw/zinc/88/07/86/447880786.db2.gz ZOAHZNYRWXGLAD-UHFFFAOYSA-N 2 1 344.503 1.889 20 0 EDADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000490270106 447891143 /nfs/dbraw/zinc/89/11/43/447891143.db2.gz IXALRHLXBPDCLZ-BRWVUGGUSA-N 2 1 340.512 1.347 20 0 EDADMP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000569843156 447905149 /nfs/dbraw/zinc/90/51/49/447905149.db2.gz MOMPFBTXWZZAPM-WMZOPIPTSA-N 2 1 330.476 1.800 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000524786082 447954611 /nfs/dbraw/zinc/95/46/11/447954611.db2.gz CXWUSZMNULUTPB-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000524786082 447954614 /nfs/dbraw/zinc/95/46/14/447954614.db2.gz CXWUSZMNULUTPB-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000524786082 447954617 /nfs/dbraw/zinc/95/46/17/447954617.db2.gz CXWUSZMNULUTPB-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP CN(C[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)C(=O)OC(C)(C)C ZINC000496847338 447964597 /nfs/dbraw/zinc/96/45/97/447964597.db2.gz OFUIBIOVSTXRNQ-HUUCEWRRSA-N 2 1 329.485 1.536 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524394791 447928259 /nfs/dbraw/zinc/92/82/59/447928259.db2.gz HXRFQUHMXYPGRX-FQEVSTJZSA-N 2 1 345.487 1.424 20 0 EDADMP CCC(CC)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000553256671 447983945 /nfs/dbraw/zinc/98/39/45/447983945.db2.gz JTVGCOUJJZTJTH-WBVHZDCISA-N 2 1 325.497 1.581 20 0 EDADMP CCC(CC)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000553256671 447983951 /nfs/dbraw/zinc/98/39/51/447983951.db2.gz JTVGCOUJJZTJTH-WBVHZDCISA-N 2 1 325.497 1.581 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000525300360 447991060 /nfs/dbraw/zinc/99/10/60/447991060.db2.gz XLPKNYFOXODHOL-ZACQAIPSSA-N 2 1 339.528 1.042 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000570224466 447968474 /nfs/dbraw/zinc/96/84/74/447968474.db2.gz VDADWEAXMGYCJU-MAUKXSAKSA-N 2 1 345.491 1.534 20 0 EDADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000570502647 448027722 /nfs/dbraw/zinc/02/77/22/448027722.db2.gz IBZOJDGNKLDGNH-FUHWJXTLSA-N 2 1 346.475 1.392 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000531286267 448053189 /nfs/dbraw/zinc/05/31/89/448053189.db2.gz SWZLRELACWUINA-MJGOQNOKSA-N 2 1 331.460 1.080 20 0 EDADMP CC(C)C[C@@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000531294583 448056476 /nfs/dbraw/zinc/05/64/76/448056476.db2.gz OWZLYRHRHMQGAL-ICSRJNTNSA-N 2 1 347.503 1.716 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)CNCC(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC000576457271 448059190 /nfs/dbraw/zinc/05/91/90/448059190.db2.gz CRQHKDHOBKTMPN-BBWFWOEESA-N 2 1 327.513 1.311 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H](O)CNCC(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC000576457271 448059198 /nfs/dbraw/zinc/05/91/98/448059198.db2.gz CRQHKDHOBKTMPN-BBWFWOEESA-N 2 1 327.513 1.311 20 0 EDADMP CCc1cc(N2CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2)ncn1 ZINC000576631077 448100085 /nfs/dbraw/zinc/10/00/85/448100085.db2.gz YITBCCQSWKPVTO-RDJZCZTQSA-N 2 1 333.480 1.053 20 0 EDADMP CCc1cc(N2CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2)ncn1 ZINC000576631077 448100090 /nfs/dbraw/zinc/10/00/90/448100090.db2.gz YITBCCQSWKPVTO-RDJZCZTQSA-N 2 1 333.480 1.053 20 0 EDADMP C[N@@H+](C[C@@H](O)CNCc1ccncc1OC[C@H]1CCOC1)C1CC1 ZINC000571159433 448113351 /nfs/dbraw/zinc/11/33/51/448113351.db2.gz LLWMRIHXEOIITL-YOEHRIQHSA-N 2 1 335.448 1.042 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@H](C)C1 ZINC000497013522 448122837 /nfs/dbraw/zinc/12/28/37/448122837.db2.gz GKTFVKBRXZPUTN-OAGGEKHMSA-N 2 1 341.496 1.942 20 0 EDADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531679618 448127783 /nfs/dbraw/zinc/12/77/83/448127783.db2.gz XFDJOWQYGKUUIY-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531679618 448127788 /nfs/dbraw/zinc/12/77/88/448127788.db2.gz XFDJOWQYGKUUIY-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000571420077 448152767 /nfs/dbraw/zinc/15/27/67/448152767.db2.gz VVNVPXCQMWOSGR-NXHRZFHOSA-N 2 1 346.475 1.279 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000571420077 448152774 /nfs/dbraw/zinc/15/27/74/448152774.db2.gz VVNVPXCQMWOSGR-NXHRZFHOSA-N 2 1 346.475 1.279 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000556933255 448172992 /nfs/dbraw/zinc/17/29/92/448172992.db2.gz GWECCOJQVIDAFJ-GOSISDBHSA-N 2 1 330.476 1.989 20 0 EDADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000556933255 448172997 /nfs/dbraw/zinc/17/29/97/448172997.db2.gz GWECCOJQVIDAFJ-GOSISDBHSA-N 2 1 330.476 1.989 20 0 EDADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000556933255 448173000 /nfs/dbraw/zinc/17/30/00/448173000.db2.gz GWECCOJQVIDAFJ-GOSISDBHSA-N 2 1 330.476 1.989 20 0 EDADMP [NH3+][C@H]1CCC[C@H](CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000514672651 448184247 /nfs/dbraw/zinc/18/42/47/448184247.db2.gz YAPXVFYLWYGJAI-OALUTQOASA-N 2 1 344.503 1.438 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000514783796 448203079 /nfs/dbraw/zinc/20/30/79/448203079.db2.gz BDJRQUWAMZWFAU-GJZGRUSLSA-N 2 1 338.496 1.483 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000571522996 448165620 /nfs/dbraw/zinc/16/56/20/448165620.db2.gz SHIIDDIVXVHKGJ-DAWZGUTISA-N 2 1 336.524 1.582 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000571522996 448165624 /nfs/dbraw/zinc/16/56/24/448165624.db2.gz SHIIDDIVXVHKGJ-DAWZGUTISA-N 2 1 336.524 1.582 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000571522996 448165628 /nfs/dbraw/zinc/16/56/28/448165628.db2.gz SHIIDDIVXVHKGJ-DAWZGUTISA-N 2 1 336.524 1.582 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000515140106 448264936 /nfs/dbraw/zinc/26/49/36/448264936.db2.gz IJZXPKZKBHICDP-CQSZACIVSA-N 2 1 346.475 1.507 20 0 EDADMP CC[C@@H](C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1)[NH+](C)C ZINC000532495248 448266262 /nfs/dbraw/zinc/26/62/62/448266262.db2.gz ATUIZUSZQHRRKX-LSDHHAIUSA-N 2 1 338.521 1.493 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000577485531 448309930 /nfs/dbraw/zinc/30/99/30/448309930.db2.gz JEYHEBZJKGENDQ-CVEARBPZSA-N 2 1 339.528 1.090 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnn3c2CCC3)CC1 ZINC000572232611 448320112 /nfs/dbraw/zinc/32/01/12/448320112.db2.gz MIIVKAPOSHDGIC-UHFFFAOYSA-N 2 1 326.404 1.228 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)[NH+]1CCOCC1 ZINC000515490506 448321091 /nfs/dbraw/zinc/32/10/91/448321091.db2.gz PFOLKWMOMAWXRI-QGZVFWFLSA-N 2 1 340.512 1.504 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000515851827 448358565 /nfs/dbraw/zinc/35/85/65/448358565.db2.gz INLBMMAXRJYJMK-ARFHVFGLSA-N 2 1 333.480 1.685 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000533294772 448384106 /nfs/dbraw/zinc/38/41/06/448384106.db2.gz DTEPHQUNCKVGKM-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000533294772 448384107 /nfs/dbraw/zinc/38/41/07/448384107.db2.gz DTEPHQUNCKVGKM-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000591571625 448393082 /nfs/dbraw/zinc/39/30/82/448393082.db2.gz SBBCCYRESWKFDD-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000591571625 448393092 /nfs/dbraw/zinc/39/30/92/448393092.db2.gz SBBCCYRESWKFDD-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000591571625 448393100 /nfs/dbraw/zinc/39/31/00/448393100.db2.gz SBBCCYRESWKFDD-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000591571625 448393104 /nfs/dbraw/zinc/39/31/04/448393104.db2.gz SBBCCYRESWKFDD-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)C[N@H+]2CCC(C)(C)C2)cc1 ZINC000582973728 448395868 /nfs/dbraw/zinc/39/58/68/448395868.db2.gz HVULXAQBFSETSL-MRXNPFEDSA-N 2 1 349.475 1.658 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)c3ncc[nH]3)CC2)CC1 ZINC000582913985 448378728 /nfs/dbraw/zinc/37/87/28/448378728.db2.gz AGMUGXGHPSIXMC-UHFFFAOYSA-N 2 1 347.507 1.957 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000578049518 448448298 /nfs/dbraw/zinc/44/82/98/448448298.db2.gz IHWBGHBFNMKWOO-ZBFHGGJFSA-N 2 1 331.464 1.894 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000578068192 448453702 /nfs/dbraw/zinc/45/37/02/448453702.db2.gz SGOGTSUQPGXWHT-BQFCYCMXSA-N 2 1 335.492 1.478 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ncc[nH]3)CC2)CC1 ZINC000566437045 448469634 /nfs/dbraw/zinc/46/96/34/448469634.db2.gz KHDYFRUVVVXHOV-UHFFFAOYSA-N 3 1 333.480 1.265 20 0 EDADMP COc1cc(OCC[NH+](C)C)ccc1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000566463967 448483141 /nfs/dbraw/zinc/48/31/41/448483141.db2.gz AXQPGEZDSOBFEE-AWEZNQCLSA-N 2 1 335.448 1.916 20 0 EDADMP COc1cc(OCC[NH+](C)C)ccc1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000566463967 448483142 /nfs/dbraw/zinc/48/31/42/448483142.db2.gz AXQPGEZDSOBFEE-AWEZNQCLSA-N 2 1 335.448 1.916 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)[C@]2(C)CCC[NH2+]2)c2cccs2)CC1 ZINC000584532240 448560473 /nfs/dbraw/zinc/56/04/73/448560473.db2.gz DTANOCUWJOLNIS-YOEHRIQHSA-N 2 1 336.505 1.295 20 0 EDADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000584577055 448575278 /nfs/dbraw/zinc/57/52/78/448575278.db2.gz DEICSOMFGZVVOY-ZDUSSCGKSA-N 2 1 345.896 1.809 20 0 EDADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000584577055 448575284 /nfs/dbraw/zinc/57/52/84/448575284.db2.gz DEICSOMFGZVVOY-ZDUSSCGKSA-N 2 1 345.896 1.809 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000567049753 448605551 /nfs/dbraw/zinc/60/55/51/448605551.db2.gz OOSZOJWYOZJZBY-LZLYRXPVSA-N 2 1 347.507 1.794 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC[C@@H]([NH+](C)C)C1)n2C ZINC000539784503 448619725 /nfs/dbraw/zinc/61/97/25/448619725.db2.gz RRHYVTQBPTZVAS-GFCCVEGCSA-N 2 1 330.436 1.201 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000584775857 448626323 /nfs/dbraw/zinc/62/63/23/448626323.db2.gz UVSDVGJOBLOISU-VJANTYMQSA-N 2 1 341.540 1.557 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000573305392 448591238 /nfs/dbraw/zinc/59/12/38/448591238.db2.gz YTOXMFKEWDCJJO-CRAIPNDOSA-N 2 1 347.459 1.160 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000573305392 448591247 /nfs/dbraw/zinc/59/12/47/448591247.db2.gz YTOXMFKEWDCJJO-CRAIPNDOSA-N 2 1 347.459 1.160 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cn1 ZINC000578625071 448596405 /nfs/dbraw/zinc/59/64/05/448596405.db2.gz MVARRBWNHWUJIB-NVXWUHKLSA-N 2 1 348.495 1.155 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cn1 ZINC000578625071 448596410 /nfs/dbraw/zinc/59/64/10/448596410.db2.gz MVARRBWNHWUJIB-NVXWUHKLSA-N 2 1 348.495 1.155 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000518032340 448639938 /nfs/dbraw/zinc/63/99/38/448639938.db2.gz UZWXLGDOECLMAT-ROUUACIJSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000540644287 448642500 /nfs/dbraw/zinc/64/25/00/448642500.db2.gz JELKRJQTHLVWHI-UKRRQHHQSA-N 2 1 330.432 1.777 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000573600810 448669097 /nfs/dbraw/zinc/66/90/97/448669097.db2.gz CIXZBSGITDUHRS-SFHVURJKSA-N 2 1 346.519 1.856 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000518561256 448692310 /nfs/dbraw/zinc/69/23/10/448692310.db2.gz JNERFCLXNOUPEY-FQEVSTJZSA-N 2 1 345.487 1.472 20 0 EDADMP CC1(C)CC[NH+](CC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000518561256 448692315 /nfs/dbraw/zinc/69/23/15/448692315.db2.gz JNERFCLXNOUPEY-FQEVSTJZSA-N 2 1 345.487 1.472 20 0 EDADMP CC1(C)CC[NH+](CC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000518561256 448692318 /nfs/dbraw/zinc/69/23/18/448692318.db2.gz JNERFCLXNOUPEY-FQEVSTJZSA-N 2 1 345.487 1.472 20 0 EDADMP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000567500699 448704828 /nfs/dbraw/zinc/70/48/28/448704828.db2.gz FDEFWSUGDALQCD-ROUUACIJSA-N 2 1 330.476 1.894 20 0 EDADMP CC[C@H]1CN(CCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000518794687 448712177 /nfs/dbraw/zinc/71/21/77/448712177.db2.gz MGPXEESDHGIHMY-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000592091863 448676441 /nfs/dbraw/zinc/67/64/41/448676441.db2.gz KNUIINKOQVKVSU-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP COCCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000519386240 448764274 /nfs/dbraw/zinc/76/42/74/448764274.db2.gz HUAIBWUSKJJSEP-UXLLHSPISA-N 2 1 342.505 1.745 20 0 EDADMP COCCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000519386240 448764280 /nfs/dbraw/zinc/76/42/80/448764280.db2.gz HUAIBWUSKJJSEP-UXLLHSPISA-N 2 1 342.505 1.745 20 0 EDADMP C[NH2+][C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000579471352 448801865 /nfs/dbraw/zinc/80/18/65/448801865.db2.gz VVOYTHWYGNQLOH-KRWDZBQOSA-N 2 1 327.432 1.915 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000519476796 448773163 /nfs/dbraw/zinc/77/31/63/448773163.db2.gz MYTJYEMLIHYRJI-OAHLLOKOSA-N 2 1 340.512 1.517 20 0 EDADMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567911837 448781766 /nfs/dbraw/zinc/78/17/66/448781766.db2.gz DCLUWNXCPBQJEF-LJQANCHMSA-N 2 1 344.503 1.214 20 0 EDADMP CC[C@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000529373709 448845708 /nfs/dbraw/zinc/84/57/08/448845708.db2.gz CEJZJDHDGBWGGR-ROUUACIJSA-N 2 1 346.475 1.281 20 0 EDADMP CC[C@@H](NC(=O)CC[NH2+]C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579613183 448837005 /nfs/dbraw/zinc/83/70/05/448837005.db2.gz YVBHFUCYCDBTCJ-RTBURBONSA-N 2 1 345.487 1.924 20 0 EDADMP CC[C@@H](NC(=O)CC[NH2+]C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579613183 448837010 /nfs/dbraw/zinc/83/70/10/448837010.db2.gz YVBHFUCYCDBTCJ-RTBURBONSA-N 2 1 345.487 1.924 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000529373227 448846419 /nfs/dbraw/zinc/84/64/19/448846419.db2.gz AIUDVRKYRUQRQW-RYRKJORJSA-N 2 1 346.475 1.279 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000579703147 448856131 /nfs/dbraw/zinc/85/61/31/448856131.db2.gz BKZMJSMIMKWGIT-AWEZNQCLSA-N 2 1 332.448 1.239 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000568458517 448872468 /nfs/dbraw/zinc/87/24/68/448872468.db2.gz JBENENXEPDWKJU-USXIJHARSA-N 2 1 340.512 1.392 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC[N@H+]1CCOC ZINC000579715257 448861085 /nfs/dbraw/zinc/86/10/85/448861085.db2.gz VKOQVDLKKZBMJU-PKOBYXMFSA-N 2 1 345.487 1.833 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000568370728 448862133 /nfs/dbraw/zinc/86/21/33/448862133.db2.gz HQYOJLFIQMTUEG-UONOGXRCSA-N 2 1 339.509 1.073 20 0 EDADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)Nc1cccc2c1CC[NH2+]C2 ZINC000568729041 448909165 /nfs/dbraw/zinc/90/91/65/448909165.db2.gz SFYMGODXDRHFND-OAHLLOKOSA-N 2 1 332.448 1.301 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C[C@H]1C ZINC000574641776 448923833 /nfs/dbraw/zinc/92/38/33/448923833.db2.gz ZREICYPNNVPYSY-HYVNUMGLSA-N 2 1 333.480 1.752 20 0 EDADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000574528824 448895806 /nfs/dbraw/zinc/89/58/06/448895806.db2.gz OJWDQKTYVBLFET-PMPSAXMXSA-N 2 1 344.496 1.225 20 0 EDADMP COCC[N@H+](C)C[C@H](O)CN1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000574528824 448895811 /nfs/dbraw/zinc/89/58/11/448895811.db2.gz OJWDQKTYVBLFET-PMPSAXMXSA-N 2 1 344.496 1.225 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000574528824 448895816 /nfs/dbraw/zinc/89/58/16/448895816.db2.gz OJWDQKTYVBLFET-PMPSAXMXSA-N 2 1 344.496 1.225 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000568972536 448945179 /nfs/dbraw/zinc/94/51/79/448945179.db2.gz AQPHXJHSOZJLRK-HNNXBMFYSA-N 2 1 345.491 1.480 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H]2CCn3ccnc3C2)CC[N@H+](C2CCC2)C1 ZINC000582038665 448994129 /nfs/dbraw/zinc/99/41/29/448994129.db2.gz CMGBHIZCHDBCHI-HUUCEWRRSA-N 2 1 331.464 1.714 20 0 EDADMP CCC[NH2+]CCNC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569322290 449000603 /nfs/dbraw/zinc/00/06/03/449000603.db2.gz FYQXPTFYVKYWSO-AEFFLSMTSA-N 2 1 348.491 1.575 20 0 EDADMP CCC[NH2+]CCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569322290 449000605 /nfs/dbraw/zinc/00/06/05/449000605.db2.gz FYQXPTFYVKYWSO-AEFFLSMTSA-N 2 1 348.491 1.575 20 0 EDADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592960287 449085072 /nfs/dbraw/zinc/08/50/72/449085072.db2.gz XENNWCIOHHCSNN-CABCVRRESA-N 2 1 342.447 1.701 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604182369 449186115 /nfs/dbraw/zinc/18/61/15/449186115.db2.gz DDJFPXCLMJAWCO-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604182369 449186120 /nfs/dbraw/zinc/18/61/20/449186120.db2.gz DDJFPXCLMJAWCO-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP CCOC(=O)C1([C@H](C)[N@H+]2CCN(C)[C@@H](C(C)C)C2)CC[NH2+]CC1 ZINC000602019115 449277864 /nfs/dbraw/zinc/27/78/64/449277864.db2.gz BCIQZTFELWXPJZ-JKSUJKDBSA-N 2 1 325.497 1.580 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)ccn1 ZINC000617009572 449429159 /nfs/dbraw/zinc/42/91/59/449429159.db2.gz AWTVHVVJKDJZDI-OAHLLOKOSA-N 2 1 334.464 1.625 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000614254701 449526806 /nfs/dbraw/zinc/52/68/06/449526806.db2.gz JWMARNMKZFZEEE-KRWDZBQOSA-N 2 1 326.400 1.906 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000614254701 449526810 /nfs/dbraw/zinc/52/68/10/449526810.db2.gz JWMARNMKZFZEEE-KRWDZBQOSA-N 2 1 326.400 1.906 20 0 EDADMP C[C@@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)OC(C)(C)C ZINC000594516358 449560160 /nfs/dbraw/zinc/56/01/60/449560160.db2.gz VYRLXJQHBQBVGB-AWEZNQCLSA-N 2 1 349.479 1.296 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C1CCOCC1 ZINC000602481625 449625017 /nfs/dbraw/zinc/62/50/17/449625017.db2.gz HCYQPGHFYKDFBQ-OALUTQOASA-N 2 1 339.524 1.528 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000617506479 449652862 /nfs/dbraw/zinc/65/28/62/449652862.db2.gz OWUAPAZBEHRLQY-ZDUSSCGKSA-N 2 1 347.463 1.281 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000617506479 449652864 /nfs/dbraw/zinc/65/28/64/449652864.db2.gz OWUAPAZBEHRLQY-ZDUSSCGKSA-N 2 1 347.463 1.281 20 0 EDADMP Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506621 449655887 /nfs/dbraw/zinc/65/58/87/449655887.db2.gz UALMWVVFJIFXQH-KGLIPLIRSA-N 2 1 337.512 1.908 20 0 EDADMP Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506621 449655893 /nfs/dbraw/zinc/65/58/93/449655893.db2.gz UALMWVVFJIFXQH-KGLIPLIRSA-N 2 1 337.512 1.908 20 0 EDADMP CO[C@H]1CCC[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000617507223 449656482 /nfs/dbraw/zinc/65/64/82/449656482.db2.gz MTHQIVHRFWEDBE-ULQDDVLXSA-N 2 1 327.513 1.970 20 0 EDADMP CO[C@H]1CCC[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617507223 449656487 /nfs/dbraw/zinc/65/64/87/449656487.db2.gz MTHQIVHRFWEDBE-ULQDDVLXSA-N 2 1 327.513 1.970 20 0 EDADMP COc1cc(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1O ZINC000617507724 449659085 /nfs/dbraw/zinc/65/90/85/449659085.db2.gz HBSUWKMPXKHTEJ-AWEZNQCLSA-N 2 1 337.464 1.332 20 0 EDADMP COc1cc(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1O ZINC000617507724 449659091 /nfs/dbraw/zinc/65/90/91/449659091.db2.gz HBSUWKMPXKHTEJ-AWEZNQCLSA-N 2 1 337.464 1.332 20 0 EDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602498049 449632086 /nfs/dbraw/zinc/63/20/86/449632086.db2.gz COUBXFHELITGPD-HSZRJFAPSA-N 2 1 343.537 1.210 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC12CCSCC2 ZINC000617503407 449646249 /nfs/dbraw/zinc/64/62/49/449646249.db2.gz HRTORPYLQRFJLR-LSDHHAIUSA-N 2 1 327.538 1.908 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC12CCSCC2 ZINC000617503407 449646253 /nfs/dbraw/zinc/64/62/53/449646253.db2.gz HRTORPYLQRFJLR-LSDHHAIUSA-N 2 1 327.538 1.908 20 0 EDADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2)n1 ZINC000594874976 449789463 /nfs/dbraw/zinc/78/94/63/449789463.db2.gz CZLHJVTXAPDABQ-ZWKOTPCHSA-N 2 1 339.443 1.233 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C2)CC1 ZINC000602786660 449807383 /nfs/dbraw/zinc/80/73/83/449807383.db2.gz SKIZDRLTOZFUGF-ZWKOTPCHSA-N 2 1 334.508 1.240 20 0 EDADMP COC(=O)c1coc([C@H](C)[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)n1 ZINC000601325785 449833148 /nfs/dbraw/zinc/83/31/48/449833148.db2.gz NZMGPFAAUNMQJT-NJZAAPMLSA-N 2 1 337.420 1.741 20 0 EDADMP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878096 449886813 /nfs/dbraw/zinc/88/68/13/449886813.db2.gz UTOBRBLVQZGXDD-HNNXBMFYSA-N 2 1 339.480 1.108 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@]3(C)CC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000612892591 449930573 /nfs/dbraw/zinc/93/05/73/449930573.db2.gz LTGZMLIAMACJJN-KRWDZBQOSA-N 2 1 332.452 1.113 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H]2CC23CC[NH2+]CC3)C[C@@H](C)O1 ZINC000612963076 449958307 /nfs/dbraw/zinc/95/83/07/449958307.db2.gz GZUYPEFEHGYUTP-KFWWJZLASA-N 2 1 338.496 1.316 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615303400 450054813 /nfs/dbraw/zinc/05/48/13/450054813.db2.gz HNHKIKZBNYRUBB-GXTWGEPZSA-N 2 1 330.436 1.387 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000613209764 450081210 /nfs/dbraw/zinc/08/12/10/450081210.db2.gz HABXUHPUBPEIPG-QRQLOZEOSA-N 2 1 342.487 1.043 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC000616784571 450484272 /nfs/dbraw/zinc/48/42/72/450484272.db2.gz XXWKBVIDGFMJNJ-IYBDPMFKSA-N 2 1 340.512 1.210 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC000616784571 450484276 /nfs/dbraw/zinc/48/42/76/450484276.db2.gz XXWKBVIDGFMJNJ-IYBDPMFKSA-N 2 1 340.512 1.210 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000616784571 450484279 /nfs/dbraw/zinc/48/42/79/450484279.db2.gz XXWKBVIDGFMJNJ-IYBDPMFKSA-N 2 1 340.512 1.210 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623468415 450526538 /nfs/dbraw/zinc/52/65/38/450526538.db2.gz UKLJXSNZNAWDTC-ZDUSSCGKSA-N 2 1 345.534 1.797 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000623468415 450526539 /nfs/dbraw/zinc/52/65/39/450526539.db2.gz UKLJXSNZNAWDTC-ZDUSSCGKSA-N 2 1 345.534 1.797 20 0 EDADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620917167 450561047 /nfs/dbraw/zinc/56/10/47/450561047.db2.gz BYYULWRVGDGAMG-ZBFHGGJFSA-N 2 1 334.464 1.690 20 0 EDADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000623657498 450561394 /nfs/dbraw/zinc/56/13/94/450561394.db2.gz RXQNYAADKMHEIM-ZDUSSCGKSA-N 2 1 345.896 1.809 20 0 EDADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000623657498 450561395 /nfs/dbraw/zinc/56/13/95/450561395.db2.gz RXQNYAADKMHEIM-ZDUSSCGKSA-N 2 1 345.896 1.809 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000621153674 450601905 /nfs/dbraw/zinc/60/19/05/450601905.db2.gz XFEXWDQOYPJPDD-PKOBYXMFSA-N 2 1 331.460 1.080 20 0 EDADMP COC[C@@]1(C)C[NH+](CCCC[N@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626176565 450611229 /nfs/dbraw/zinc/61/12/29/450611229.db2.gz RFQYPRNELIQALU-HDICACEKSA-N 2 1 344.496 1.241 20 0 EDADMP COC[C@@]1(C)C[N@H+](CCCC[NH+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626176565 450611235 /nfs/dbraw/zinc/61/12/35/450611235.db2.gz RFQYPRNELIQALU-HDICACEKSA-N 2 1 344.496 1.241 20 0 EDADMP COC[C@@]1(C)C[N@@H+](CCCC[NH+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626176565 450611240 /nfs/dbraw/zinc/61/12/40/450611240.db2.gz RFQYPRNELIQALU-HDICACEKSA-N 2 1 344.496 1.241 20 0 EDADMP C[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635068838 450621050 /nfs/dbraw/zinc/62/10/50/450621050.db2.gz MBNYXVOYIHMRKH-AZUAARDMSA-N 2 1 345.487 1.593 20 0 EDADMP CCN(C(=O)C[N@H+](C)CCOCC[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000629579619 450747327 /nfs/dbraw/zinc/74/73/27/450747327.db2.gz VGNAOUBCIRHFOJ-AWEZNQCLSA-N 2 1 325.428 1.642 20 0 EDADMP CCN(C(=O)C[N@@H+](C)CCOCC[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000629579619 450747334 /nfs/dbraw/zinc/74/73/34/450747334.db2.gz VGNAOUBCIRHFOJ-AWEZNQCLSA-N 2 1 325.428 1.642 20 0 EDADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000631787155 450777518 /nfs/dbraw/zinc/77/75/18/450777518.db2.gz BFQIGPZHYKFHGI-GJZGRUSLSA-N 2 1 345.553 1.757 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000621647082 450811626 /nfs/dbraw/zinc/81/16/26/450811626.db2.gz CNASSXBULZCDKS-AWEZNQCLSA-N 2 1 332.448 1.905 20 0 EDADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N1CCN(c2ccccc2)CC1 ZINC000635291737 450821930 /nfs/dbraw/zinc/82/19/30/450821930.db2.gz ZYOZQTGFHAGXKF-QZTJIDSGSA-N 2 1 344.503 1.655 20 0 EDADMP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000635291737 450821934 /nfs/dbraw/zinc/82/19/34/450821934.db2.gz ZYOZQTGFHAGXKF-QZTJIDSGSA-N 2 1 344.503 1.655 20 0 EDADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000635291737 450821940 /nfs/dbraw/zinc/82/19/40/450821940.db2.gz ZYOZQTGFHAGXKF-QZTJIDSGSA-N 2 1 344.503 1.655 20 0 EDADMP CC[NH+](CC)[C@@H](CNS(=O)(=O)CCC[NH+](C)C)c1ccco1 ZINC000631813647 450792903 /nfs/dbraw/zinc/79/29/03/450792903.db2.gz XGSMHOSYUHBVBE-AWEZNQCLSA-N 2 1 331.482 1.534 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000631915368 450874662 /nfs/dbraw/zinc/87/46/62/450874662.db2.gz JWHVPEMCPPTWJX-AWEZNQCLSA-N 2 1 346.541 1.015 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000635416084 450923498 /nfs/dbraw/zinc/92/34/98/450923498.db2.gz XSAKPXXQPRQJAB-OAHLLOKOSA-N 2 1 344.459 1.355 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000635416084 450923504 /nfs/dbraw/zinc/92/35/04/450923504.db2.gz XSAKPXXQPRQJAB-OAHLLOKOSA-N 2 1 344.459 1.355 20 0 EDADMP C[N@@H+](CC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCC1 ZINC000629969745 450924713 /nfs/dbraw/zinc/92/47/13/450924713.db2.gz KWOZEQMKADBCBS-UHFFFAOYSA-N 2 1 337.508 1.870 20 0 EDADMP CCn1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C)n1 ZINC000624549266 450891073 /nfs/dbraw/zinc/89/10/73/450891073.db2.gz SXRQRSRKBGCKBP-UHFFFAOYSA-N 2 1 328.420 1.611 20 0 EDADMP C[NH+](C)CCn1c2cc(NC(=O)C[C@@H]3CC[N@@H+](C)C3)ccc2oc1=O ZINC000635452175 450951764 /nfs/dbraw/zinc/95/17/64/450951764.db2.gz VGEMUZIQRDDYBN-ZDUSSCGKSA-N 2 1 346.431 1.436 20 0 EDADMP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000626855843 450961887 /nfs/dbraw/zinc/96/18/87/450961887.db2.gz HAYIRKUNHQYTEC-OAHLLOKOSA-N 2 1 346.475 1.664 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000632012685 450967387 /nfs/dbraw/zinc/96/73/87/450967387.db2.gz WDKYYMWWAIHIBN-QAPCUYQASA-N 2 1 345.491 1.534 20 0 EDADMP C[NH2+]CCOCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000626923169 451006127 /nfs/dbraw/zinc/00/61/27/451006127.db2.gz NJIOEEIZPKCVQO-HNNXBMFYSA-N 2 1 342.871 1.478 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC[N@H+]1CCc3ccccc3C1)C2 ZINC000626934950 451017310 /nfs/dbraw/zinc/01/73/10/451017310.db2.gz SCLDEYOVDSCSBB-BGYRXZFFSA-N 2 1 342.487 1.686 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000626939645 451020499 /nfs/dbraw/zinc/02/04/99/451020499.db2.gz LSFDQVBGUJFQNV-AEGPPILISA-N 2 1 336.505 1.934 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000626939645 451020504 /nfs/dbraw/zinc/02/05/04/451020504.db2.gz LSFDQVBGUJFQNV-AEGPPILISA-N 2 1 336.505 1.934 20 0 EDADMP [NH3+]CCCOCCNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000626954855 451032515 /nfs/dbraw/zinc/03/25/15/451032515.db2.gz LPRUVBRMFUSHLF-SFHVURJKSA-N 2 1 348.491 1.706 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626991687 451057587 /nfs/dbraw/zinc/05/75/87/451057587.db2.gz JYNAREYKGIKFDQ-QGZVFWFLSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627011480 451075715 /nfs/dbraw/zinc/07/57/15/451075715.db2.gz BJQGFPSOXLFYMG-LSDHHAIUSA-N 2 1 326.485 1.256 20 0 EDADMP C[NH2+]CCOCCNC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000627015839 451080411 /nfs/dbraw/zinc/08/04/11/451080411.db2.gz AIKFUSRRRUQKOG-IBGZPJMESA-N 2 1 348.491 1.576 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635635743 451123769 /nfs/dbraw/zinc/12/37/69/451123769.db2.gz PDMWQTNTHWYJSP-QGZVFWFLSA-N 2 1 337.508 1.535 20 0 EDADMP CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627130252 451141001 /nfs/dbraw/zinc/14/10/01/451141001.db2.gz OTRXNAQAWLMCIP-SJORKVTESA-N 2 1 349.523 1.081 20 0 EDADMP CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627130252 451141004 /nfs/dbraw/zinc/14/10/04/451141004.db2.gz OTRXNAQAWLMCIP-SJORKVTESA-N 2 1 349.523 1.081 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627238085 451203599 /nfs/dbraw/zinc/20/35/99/451203599.db2.gz AGWBWNVEIYJIGO-CGTJXYLNSA-N 2 1 345.491 1.828 20 0 EDADMP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)[NH+](C)C ZINC000635734540 451205639 /nfs/dbraw/zinc/20/56/39/451205639.db2.gz ONBYVTLZTCTBHU-NXHRZFHOSA-N 2 1 338.540 1.732 20 0 EDADMP C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000632370072 451231203 /nfs/dbraw/zinc/23/12/03/451231203.db2.gz VFRGFCRTWBMEAR-HOTGVXAUSA-N 2 1 347.507 1.828 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1)CC(C)(C)C ZINC000635786183 451238799 /nfs/dbraw/zinc/23/87/99/451238799.db2.gz PHZPJENYDIQSCR-SFHVURJKSA-N 2 1 347.503 1.847 20 0 EDADMP C[NH+](CC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC(C)(C)C ZINC000635786183 451238803 /nfs/dbraw/zinc/23/88/03/451238803.db2.gz PHZPJENYDIQSCR-SFHVURJKSA-N 2 1 347.503 1.847 20 0 EDADMP C[NH+](CC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CC(C)(C)C ZINC000635786183 451238806 /nfs/dbraw/zinc/23/88/06/451238806.db2.gz PHZPJENYDIQSCR-SFHVURJKSA-N 2 1 347.503 1.847 20 0 EDADMP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)[C@H]3CC[N@H+]3C3CCCC3)CC2)CC1 ZINC000635800241 451249968 /nfs/dbraw/zinc/24/99/68/451249968.db2.gz RLAISWFEGWCKRW-ZIFCJYIRSA-N 2 1 348.535 1.678 20 0 EDADMP Cc1cc(C)c(CN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)c(C)[nH+]1 ZINC000630583476 451261832 /nfs/dbraw/zinc/26/18/32/451261832.db2.gz QKLSLSPGNOONFZ-RDTXWAMCSA-N 2 1 330.432 1.946 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000638099743 451265614 /nfs/dbraw/zinc/26/56/14/451265614.db2.gz DYHMCHLTZHIXNA-CGTJXYLNSA-N 2 1 333.476 1.910 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000638110700 451278273 /nfs/dbraw/zinc/27/82/73/451278273.db2.gz ONSXUCQPPORERX-DZGCQCFKSA-N 2 1 325.478 1.639 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000638110700 451278279 /nfs/dbraw/zinc/27/82/79/451278279.db2.gz ONSXUCQPPORERX-DZGCQCFKSA-N 2 1 325.478 1.639 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000638110700 451278282 /nfs/dbraw/zinc/27/82/82/451278282.db2.gz ONSXUCQPPORERX-DZGCQCFKSA-N 2 1 325.478 1.639 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000638110700 451278286 /nfs/dbraw/zinc/27/82/86/451278286.db2.gz ONSXUCQPPORERX-DZGCQCFKSA-N 2 1 325.478 1.639 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(S(N)(=O)=O)cc2F)[C@H](C)C1 ZINC000638114447 451283224 /nfs/dbraw/zinc/28/32/24/451283224.db2.gz JMEAHYFEXPNFPM-MLGOLLRUSA-N 2 1 343.468 1.635 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)c2cnc(C[NH3+])nc2)C[N@H+]1Cc1ccccc1 ZINC000638127905 451298741 /nfs/dbraw/zinc/29/87/41/451298741.db2.gz FPWJZJAZNCMAKW-CZUORRHYSA-N 2 1 325.416 1.328 20 0 EDADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000636563321 451305380 /nfs/dbraw/zinc/30/53/80/451305380.db2.gz RTMBFFWGGQLHRV-YESZJQIVSA-N 2 1 340.512 1.110 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000636563318 451306348 /nfs/dbraw/zinc/30/63/48/451306348.db2.gz RTMBFFWGGQLHRV-BRWVUGGUSA-N 2 1 340.512 1.110 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C2=CC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000638137389 451309943 /nfs/dbraw/zinc/30/99/43/451309943.db2.gz JSKUKARMWCNEEZ-OALUTQOASA-N 2 1 342.487 1.529 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C2=CC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000638137389 451309947 /nfs/dbraw/zinc/30/99/47/451309947.db2.gz JSKUKARMWCNEEZ-OALUTQOASA-N 2 1 342.487 1.529 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C2=CC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000638137389 451309952 /nfs/dbraw/zinc/30/99/52/451309952.db2.gz JSKUKARMWCNEEZ-OALUTQOASA-N 2 1 342.487 1.529 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638147981 451321408 /nfs/dbraw/zinc/32/14/08/451321408.db2.gz YZDLNCLZVYQYOO-AEFFLSMTSA-N 3 1 344.503 1.566 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638147987 451321571 /nfs/dbraw/zinc/32/15/71/451321571.db2.gz YZDLNCLZVYQYOO-SJLPKXTDSA-N 3 1 344.503 1.566 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1Cc2cncn2C1)[N@H+]1CCc2ccccc2C1 ZINC000636587477 451327340 /nfs/dbraw/zinc/32/73/40/451327340.db2.gz DRQXMMIWAZZSJN-YOEHRIQHSA-N 2 1 339.443 1.554 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1Cc2cncn2C1)N1CCc2ccccc2C1 ZINC000636587477 451327342 /nfs/dbraw/zinc/32/73/42/451327342.db2.gz DRQXMMIWAZZSJN-YOEHRIQHSA-N 2 1 339.443 1.554 20 0 EDADMP C[C@]1(C[NH3+])CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638219278 451363258 /nfs/dbraw/zinc/36/32/58/451363258.db2.gz HNCSEUNFNQGOOO-LJQANCHMSA-N 3 1 344.503 1.567 20 0 EDADMP C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)CN(C)CCc1ccccc1 ZINC000635918625 451363835 /nfs/dbraw/zinc/36/38/35/451363835.db2.gz DOIHGDSJTUFFBW-PKOBYXMFSA-N 2 1 345.487 1.483 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638251655 451382055 /nfs/dbraw/zinc/38/20/55/451382055.db2.gz IOHNSNOZMPJXJL-IMFGXOCKSA-N 2 1 345.487 1.769 20 0 EDADMP C[NH+](C)CCN(C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000638273207 451392646 /nfs/dbraw/zinc/39/26/46/451392646.db2.gz ZAJRRDPSZIKTLH-LJQANCHMSA-N 2 1 346.519 1.779 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000638285581 451402635 /nfs/dbraw/zinc/40/26/35/451402635.db2.gz JGDXKZFBQLHVBK-IEBWSBKVSA-N 2 1 327.472 1.818 20 0 EDADMP C[N@H+](CCc1ccccc1)CC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000635977000 451412889 /nfs/dbraw/zinc/41/28/89/451412889.db2.gz SFEMESHKVFOZQJ-SFHVURJKSA-N 2 1 333.476 1.124 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000635977000 451412893 /nfs/dbraw/zinc/41/28/93/451412893.db2.gz SFEMESHKVFOZQJ-SFHVURJKSA-N 2 1 333.476 1.124 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000635977000 451412900 /nfs/dbraw/zinc/41/29/00/451412900.db2.gz SFEMESHKVFOZQJ-SFHVURJKSA-N 2 1 333.476 1.124 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000635977000 451412905 /nfs/dbraw/zinc/41/29/05/451412905.db2.gz SFEMESHKVFOZQJ-SFHVURJKSA-N 2 1 333.476 1.124 20 0 EDADMP NC(=O)CC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634642432 451434688 /nfs/dbraw/zinc/43/46/88/451434688.db2.gz KFNXTILANQUOIL-LJQANCHMSA-N 2 1 331.460 1.211 20 0 EDADMP NC(=O)CC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634642432 451434692 /nfs/dbraw/zinc/43/46/92/451434692.db2.gz KFNXTILANQUOIL-LJQANCHMSA-N 2 1 331.460 1.211 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000638347283 451450538 /nfs/dbraw/zinc/45/05/38/451450538.db2.gz QHXVAWCWDLIIIQ-HOTGVXAUSA-N 2 1 334.464 1.751 20 0 EDADMP Cc1cc(C[NH3+])oc1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000638406221 451494127 /nfs/dbraw/zinc/49/41/27/451494127.db2.gz JAPMBHZJKAXQNI-MRXNPFEDSA-N 2 1 343.427 1.543 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](CC)CC2)[C@]12CCCO2 ZINC000638361216 451460485 /nfs/dbraw/zinc/46/04/85/451460485.db2.gz ZMWGQBYUDONCCH-GUDVDZBRSA-N 2 1 339.524 1.720 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000638367939 451467397 /nfs/dbraw/zinc/46/73/97/451467397.db2.gz RKNWMTOZRJKRIW-GNBUJSLZSA-N 2 1 343.471 1.486 20 0 EDADMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc(OC)s3)cn2)CC1 ZINC000638374206 451470689 /nfs/dbraw/zinc/47/06/89/451470689.db2.gz YBALPPMQKLHNKX-UHFFFAOYSA-N 2 1 347.488 1.978 20 0 EDADMP C[NH+](C)CCOc1ccc(CNC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638380692 451475622 /nfs/dbraw/zinc/47/56/22/451475622.db2.gz ZHWBASXUVGKWJZ-UHFFFAOYSA-N 2 1 349.519 1.952 20 0 EDADMP C[NH+](C)CCOc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1 ZINC000638380692 451475625 /nfs/dbraw/zinc/47/56/25/451475625.db2.gz ZHWBASXUVGKWJZ-UHFFFAOYSA-N 2 1 349.519 1.952 20 0 EDADMP O[C@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000634719370 451499750 /nfs/dbraw/zinc/49/97/50/451499750.db2.gz SNJCJCDNQJLEEH-WOJBJXKFSA-N 2 1 347.503 1.060 20 0 EDADMP Nc1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c(N)n1 ZINC000638456679 451525090 /nfs/dbraw/zinc/52/50/90/451525090.db2.gz LEMRMYPETVSCGJ-UHFFFAOYSA-N 2 1 340.475 1.968 20 0 EDADMP Cc1nnsc1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000638513435 451552887 /nfs/dbraw/zinc/55/28/87/451552887.db2.gz LNBKICREJPFWND-UHFFFAOYSA-N 2 1 333.461 1.428 20 0 EDADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCNC(=O)C3)CC2)oc1C ZINC000638524586 451557479 /nfs/dbraw/zinc/55/74/79/451557479.db2.gz RNKXFBGUQCVVSD-INIZCTEOSA-N 2 1 334.464 1.762 20 0 EDADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638611176 451605340 /nfs/dbraw/zinc/60/53/40/451605340.db2.gz GNIKUOAKOUHBQO-CEXWTWQISA-N 2 1 345.487 1.639 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2Br)C[NH2+]1 ZINC000638653336 451633378 /nfs/dbraw/zinc/63/33/78/451633378.db2.gz XEFXFUUXWZKOIO-BREBYQMCSA-N 2 1 326.238 1.706 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000631195534 451636205 /nfs/dbraw/zinc/63/62/05/451636205.db2.gz HSVTVJHIYSGKIQ-WBVHZDCISA-N 2 1 330.476 1.887 20 0 EDADMP CN(CCOCC[NH3+])C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638669986 451642157 /nfs/dbraw/zinc/64/21/57/451642157.db2.gz JEPFELKPTUCVSG-MRXNPFEDSA-N 2 1 339.867 1.738 20 0 EDADMP CN(CCOCC[NH3+])C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638669986 451642161 /nfs/dbraw/zinc/64/21/61/451642161.db2.gz JEPFELKPTUCVSG-MRXNPFEDSA-N 2 1 339.867 1.738 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CC[N@H+]1C ZINC000631306810 451688902 /nfs/dbraw/zinc/68/89/02/451688902.db2.gz KFAFAWRUOSRSPV-ZWKOTPCHSA-N 2 1 330.476 1.893 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000638727880 451667663 /nfs/dbraw/zinc/66/76/63/451667663.db2.gz NCLIJTMXRKVXGH-GXFFZTMASA-N 2 1 326.238 1.659 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000638727880 451667665 /nfs/dbraw/zinc/66/76/65/451667665.db2.gz NCLIJTMXRKVXGH-GXFFZTMASA-N 2 1 326.238 1.659 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1n[nH]cc1C(F)(F)F ZINC000631268150 451670840 /nfs/dbraw/zinc/67/08/40/451670840.db2.gz QHKVWITYBKGFKN-UHFFFAOYSA-N 2 1 349.401 1.774 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637152507 451742360 /nfs/dbraw/zinc/74/23/60/451742360.db2.gz RBZGPDJIMNPGPS-AWEZNQCLSA-N 2 1 336.484 2.000 20 0 EDADMP [NH3+]CC1(CC(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)CCCCC1 ZINC000638984562 451746027 /nfs/dbraw/zinc/74/60/27/451746027.db2.gz MYPJAEVYUKKGLN-UHFFFAOYSA-N 2 1 331.464 1.729 20 0 EDADMP CN(Cc1ccc(S(N)(=O)=O)cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639161909 451781800 /nfs/dbraw/zinc/78/18/00/451781800.db2.gz IWXPUTMPFXQANQ-PBWFPOADSA-N 2 1 341.452 1.530 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000642006508 451804946 /nfs/dbraw/zinc/80/49/46/451804946.db2.gz AMDSJNBVYZIAAQ-AEFFLSMTSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000642006508 451804954 /nfs/dbraw/zinc/80/49/54/451804954.db2.gz AMDSJNBVYZIAAQ-AEFFLSMTSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)[C@H]1C[NH3+] ZINC000646770925 451830958 /nfs/dbraw/zinc/83/09/58/451830958.db2.gz FWSRQTSPBORJFC-NXHRZFHOSA-N 2 1 330.476 1.879 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646807701 451853504 /nfs/dbraw/zinc/85/35/04/451853504.db2.gz PXITZKPNEFKRJG-MOPGFXCFSA-N 2 1 344.503 1.228 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc[nH]c1=O ZINC000637522589 451922495 /nfs/dbraw/zinc/92/24/95/451922495.db2.gz GVUDZGNUMPKDQK-INIZCTEOSA-N 2 1 349.479 1.345 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000646928320 451944583 /nfs/dbraw/zinc/94/45/83/451944583.db2.gz XKUFHCQGBJHWHH-OALUTQOASA-N 2 1 342.487 1.210 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)cc2)CC1 ZINC000646928320 451944603 /nfs/dbraw/zinc/94/46/03/451944603.db2.gz XKUFHCQGBJHWHH-OALUTQOASA-N 2 1 342.487 1.210 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)cc2)CC1 ZINC000646928320 451944611 /nfs/dbraw/zinc/94/46/11/451944611.db2.gz XKUFHCQGBJHWHH-OALUTQOASA-N 2 1 342.487 1.210 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000644734463 451962058 /nfs/dbraw/zinc/96/20/58/451962058.db2.gz PYVYYJIFONXPAH-RCCFBDPRSA-N 2 1 330.476 1.041 20 0 EDADMP COC1(CO)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639614843 451975931 /nfs/dbraw/zinc/97/59/31/451975931.db2.gz QCHGZFJYFKSOMM-GOSISDBHSA-N 2 1 334.460 1.097 20 0 EDADMP COC1(CO)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639614843 451975933 /nfs/dbraw/zinc/97/59/33/451975933.db2.gz QCHGZFJYFKSOMM-GOSISDBHSA-N 2 1 334.460 1.097 20 0 EDADMP O=c1[nH]ccc2c1CN(C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000639635930 451987843 /nfs/dbraw/zinc/98/78/43/451987843.db2.gz VGYMOZUIEMKLNE-FQEVSTJZSA-N 2 1 339.439 1.782 20 0 EDADMP O=c1[nH]ccc2c1CN(C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000639635930 451987849 /nfs/dbraw/zinc/98/78/49/451987849.db2.gz VGYMOZUIEMKLNE-FQEVSTJZSA-N 2 1 339.439 1.782 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000649312353 451990030 /nfs/dbraw/zinc/99/00/30/451990030.db2.gz JGOUUWHWPZURQG-XDNAFOTISA-N 2 1 336.524 1.378 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[NH2+]CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000649329707 452009307 /nfs/dbraw/zinc/00/93/07/452009307.db2.gz CPPXAGCQLRLCQH-NZSAHSFTSA-N 2 1 345.487 1.734 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)cs1 ZINC000649331640 452012795 /nfs/dbraw/zinc/01/27/95/452012795.db2.gz IOOSSYUEZXPHAZ-BMFZPTHFSA-N 2 1 348.516 1.784 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000649332837 452014358 /nfs/dbraw/zinc/01/43/58/452014358.db2.gz LLELKKCTCCAKDA-DZGCQCFKSA-N 2 1 325.403 1.868 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000653566582 452018879 /nfs/dbraw/zinc/01/88/79/452018879.db2.gz ZMCXFSPCYHEUBU-RBUKOAKNSA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000653566582 452018884 /nfs/dbraw/zinc/01/88/84/452018884.db2.gz ZMCXFSPCYHEUBU-RBUKOAKNSA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000653566582 452018888 /nfs/dbraw/zinc/01/88/88/452018888.db2.gz ZMCXFSPCYHEUBU-RBUKOAKNSA-N 2 1 335.492 1.132 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000649344609 452024193 /nfs/dbraw/zinc/02/41/93/452024193.db2.gz HDBWFPWFMHZHAN-SJLPKXTDSA-N 2 1 331.460 1.345 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(N)CC[NH+](C)C1 ZINC000649345414 452026381 /nfs/dbraw/zinc/02/63/81/452026381.db2.gz ZNPKJQKNNMBQKA-UYAOXDASSA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@]1(N)CC[N@H+](C)C1 ZINC000649345414 452026388 /nfs/dbraw/zinc/02/63/88/452026388.db2.gz ZNPKJQKNNMBQKA-UYAOXDASSA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@]1(N)CC[N@@H+](C)C1 ZINC000649345414 452026393 /nfs/dbraw/zinc/02/63/93/452026393.db2.gz ZNPKJQKNNMBQKA-UYAOXDASSA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1([NH3+])CCN(C)C1 ZINC000649345414 452026397 /nfs/dbraw/zinc/02/63/97/452026397.db2.gz ZNPKJQKNNMBQKA-UYAOXDASSA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1([NH3+])CCN(C)C1 ZINC000649345414 452026403 /nfs/dbraw/zinc/02/64/03/452026403.db2.gz ZNPKJQKNNMBQKA-UYAOXDASSA-N 2 1 344.503 1.390 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@]2(N)CC[N@H+](C)C2)cc1 ZINC000649345136 452026670 /nfs/dbraw/zinc/02/66/70/452026670.db2.gz MMOVKBLHDFUPCC-UGSOOPFHSA-N 2 1 327.432 1.391 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@]2(N)CC[N@@H+](C)C2)cc1 ZINC000649345136 452026678 /nfs/dbraw/zinc/02/66/78/452026678.db2.gz MMOVKBLHDFUPCC-UGSOOPFHSA-N 2 1 327.432 1.391 20 0 EDADMP CC[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649348739 452032044 /nfs/dbraw/zinc/03/20/44/452032044.db2.gz URPLQTCRJAAHCW-RCCFBDPRSA-N 2 1 345.487 1.780 20 0 EDADMP CC[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649348739 452032049 /nfs/dbraw/zinc/03/20/49/452032049.db2.gz URPLQTCRJAAHCW-RCCFBDPRSA-N 2 1 345.487 1.780 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CCC(C)(C)[NH3+] ZINC000649352872 452037616 /nfs/dbraw/zinc/03/76/16/452037616.db2.gz RNUGBHGDJLXROA-UHFFFAOYSA-N 2 1 332.492 1.785 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)N3CCC[N@H+](C)CC3)C2)cc1 ZINC000637723865 452047615 /nfs/dbraw/zinc/04/76/15/452047615.db2.gz SROZYSVPRDGGHW-GOSISDBHSA-N 2 1 330.476 1.916 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N3CCC[NH+](C)CC3)C2)cc1 ZINC000637723865 452047622 /nfs/dbraw/zinc/04/76/22/452047622.db2.gz SROZYSVPRDGGHW-GOSISDBHSA-N 2 1 330.476 1.916 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N3CCC[NH+](C)CC3)C2)cc1 ZINC000637723865 452047626 /nfs/dbraw/zinc/04/76/26/452047626.db2.gz SROZYSVPRDGGHW-GOSISDBHSA-N 2 1 330.476 1.916 20 0 EDADMP CC[C@H]1C[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@H]1[NH3+] ZINC000649416771 452077448 /nfs/dbraw/zinc/07/74/48/452077448.db2.gz LPVWBEOKNCGMEQ-DOTOQJQBSA-N 2 1 348.466 1.534 20 0 EDADMP CC[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@H]1[NH3+] ZINC000649416771 452077451 /nfs/dbraw/zinc/07/74/51/452077451.db2.gz LPVWBEOKNCGMEQ-DOTOQJQBSA-N 2 1 348.466 1.534 20 0 EDADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3nc(-c4ccccn4)no3)CC2)C1 ZINC000649420590 452082225 /nfs/dbraw/zinc/08/22/25/452082225.db2.gz CBTAOQJCCLEHDW-GOEBONIOSA-N 2 1 343.431 1.850 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758623 452095957 /nfs/dbraw/zinc/09/59/57/452095957.db2.gz WPOVVSBGUOIPTP-UHFFFAOYSA-N 2 1 345.487 1.867 20 0 EDADMP [NH3+]C1(CC(=O)NCC[C@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000637832585 452107555 /nfs/dbraw/zinc/10/75/55/452107555.db2.gz JQWLHRJQWFFTND-QGZVFWFLSA-N 3 1 344.503 1.486 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637851256 452114893 /nfs/dbraw/zinc/11/48/93/452114893.db2.gz ZXFQYYNGHQEMPM-KRWDZBQOSA-N 3 1 332.492 1.470 20 0 EDADMP C[C@H]1CN(C(=O)Cc2cn3c(n2)CCCC3)CC[N@H+]1CC(C)(C)O ZINC000651848257 452115118 /nfs/dbraw/zinc/11/51/18/452115118.db2.gz KFVKIBKHHXPUMQ-AWEZNQCLSA-N 2 1 334.464 1.066 20 0 EDADMP C[C@H]1CN(C(=O)Cc2cn3c(n2)CCCC3)CCN1CC(C)(C)O ZINC000651848257 452115123 /nfs/dbraw/zinc/11/51/23/452115123.db2.gz KFVKIBKHHXPUMQ-AWEZNQCLSA-N 2 1 334.464 1.066 20 0 EDADMP CN(CCC[NH3+])C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637855619 452116003 /nfs/dbraw/zinc/11/60/03/452116003.db2.gz WNUXTDMPOSYVFW-IEBWSBKVSA-N 2 1 331.460 1.332 20 0 EDADMP CC1(C)C[NH2+]CCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637858143 452118075 /nfs/dbraw/zinc/11/80/75/452118075.db2.gz YRXAFJHSXIHIEN-UHFFFAOYSA-N 3 1 344.503 1.580 20 0 EDADMP C[N@H+]1CCC[C@H]1CC[NH+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639776800 452121008 /nfs/dbraw/zinc/12/10/08/452121008.db2.gz RVVIUBWUXGLDSG-DLBZAZTESA-N 2 1 327.538 1.610 20 0 EDADMP C[NH+]1CCC[C@H]1CC[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639776800 452121012 /nfs/dbraw/zinc/12/10/12/452121012.db2.gz RVVIUBWUXGLDSG-DLBZAZTESA-N 2 1 327.538 1.610 20 0 EDADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639776800 452121017 /nfs/dbraw/zinc/12/10/17/452121017.db2.gz RVVIUBWUXGLDSG-DLBZAZTESA-N 2 1 327.538 1.610 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645164771 452189206 /nfs/dbraw/zinc/18/92/06/452189206.db2.gz TVMQBTDSRMEPQT-OAHLLOKOSA-N 2 1 344.507 1.544 20 0 EDADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nc1 ZINC000647486469 452231156 /nfs/dbraw/zinc/23/11/56/452231156.db2.gz VTDIKUACPMCMMV-OAHLLOKOSA-N 2 1 332.448 1.124 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000641798658 452275243 /nfs/dbraw/zinc/27/52/43/452275243.db2.gz GGQZETPMIFHZRQ-LSDHHAIUSA-N 2 1 347.463 1.266 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000641798658 452275250 /nfs/dbraw/zinc/27/52/50/452275250.db2.gz GGQZETPMIFHZRQ-LSDHHAIUSA-N 2 1 347.463 1.266 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)CC2)c1 ZINC000641802796 452277565 /nfs/dbraw/zinc/27/75/65/452277565.db2.gz OXZUZDPYEPYPPL-DLBZAZTESA-N 2 1 330.476 1.359 20 0 EDADMP C[C@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487910 452283834 /nfs/dbraw/zinc/28/38/34/452283834.db2.gz PRXQGMJIPDOIFJ-AIANPOQGSA-N 2 1 349.479 1.035 20 0 EDADMP C[C@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487910 452283844 /nfs/dbraw/zinc/28/38/44/452283844.db2.gz PRXQGMJIPDOIFJ-AIANPOQGSA-N 2 1 349.479 1.035 20 0 EDADMP [NH3+]CC12CC(C1)CN2C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000659439508 452287446 /nfs/dbraw/zinc/28/74/46/452287446.db2.gz KFNHVSCQKAJZIF-UHFFFAOYSA-N 2 1 344.459 1.152 20 0 EDADMP COc1ccc(CCNC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1OC ZINC000641808180 452288458 /nfs/dbraw/zinc/28/84/58/452288458.db2.gz XJQUCSPSBYNTNC-HZPDHXFCSA-N 2 1 335.448 1.078 20 0 EDADMP COCCOc1ccc(CNC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641809668 452291256 /nfs/dbraw/zinc/29/12/56/452291256.db2.gz YKWBSKZMAHMJJF-HOTGVXAUSA-N 2 1 335.448 1.043 20 0 EDADMP C[C@@]12COC[C@]1(C)C[NH+](CC(O)C[N@@H+]1C[C@]3(C)COC[C@]3(C)C1)C2 ZINC000661491969 452292209 /nfs/dbraw/zinc/29/22/09/452292209.db2.gz VYVSNJCWHYZATL-QGFMHUBQSA-N 2 1 338.492 1.064 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659454219 452305289 /nfs/dbraw/zinc/30/52/89/452305289.db2.gz DCSZGQAZZIZJBM-MRXNPFEDSA-N 2 1 340.537 1.456 20 0 EDADMP C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659460211 452311911 /nfs/dbraw/zinc/31/19/11/452311911.db2.gz SECNEKUQKBTDCJ-WBVHZDCISA-N 2 1 348.491 1.655 20 0 EDADMP C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659460211 452311924 /nfs/dbraw/zinc/31/19/24/452311924.db2.gz SECNEKUQKBTDCJ-WBVHZDCISA-N 2 1 348.491 1.655 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000652130475 452325685 /nfs/dbraw/zinc/32/56/85/452325685.db2.gz PJDCVWZHBBFXPZ-UHFFFAOYSA-N 2 1 341.459 1.833 20 0 EDADMP CC[C@@H]1[C@H](CO)CCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665764266 452349742 /nfs/dbraw/zinc/34/97/42/452349742.db2.gz ZSZZKRLYKVYVHK-HRCADAONSA-N 2 1 328.501 1.061 20 0 EDADMP CC[C@@H]1[C@H](CO)CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665764266 452349745 /nfs/dbraw/zinc/34/97/45/452349745.db2.gz ZSZZKRLYKVYVHK-HRCADAONSA-N 2 1 328.501 1.061 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000659492768 452355726 /nfs/dbraw/zinc/35/57/26/452355726.db2.gz KFFINTJGTQGTSH-BBPFYFEFSA-N 2 1 328.460 1.701 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000638070535 452376164 /nfs/dbraw/zinc/37/61/64/452376164.db2.gz YYOZPPSBTHOOQS-AOIWGVFYSA-N 2 1 346.519 1.825 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000638070535 452376173 /nfs/dbraw/zinc/37/61/73/452376173.db2.gz YYOZPPSBTHOOQS-AOIWGVFYSA-N 2 1 346.519 1.825 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000638070535 452376180 /nfs/dbraw/zinc/37/61/80/452376180.db2.gz YYOZPPSBTHOOQS-AOIWGVFYSA-N 2 1 346.519 1.825 20 0 EDADMP [NH3+]Cc1ncc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cn1 ZINC000638077123 452389149 /nfs/dbraw/zinc/38/91/49/452389149.db2.gz XGBROVKNHVVHJM-UHFFFAOYSA-N 2 1 331.464 1.664 20 0 EDADMP CCc1nc(C(C)C)ccc1CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051711 452395138 /nfs/dbraw/zinc/39/51/38/452395138.db2.gz XAANAXFQZRWOLK-UHFFFAOYSA-N 2 1 332.492 1.973 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638079879 452395523 /nfs/dbraw/zinc/39/55/23/452395523.db2.gz WYXQAHLCUDOZLX-SFHVURJKSA-N 2 1 344.503 1.580 20 0 EDADMP C[N@@H+]1CCC[C@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638079879 452395531 /nfs/dbraw/zinc/39/55/31/452395531.db2.gz WYXQAHLCUDOZLX-SFHVURJKSA-N 3 1 344.503 1.580 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638079879 452395539 /nfs/dbraw/zinc/39/55/39/452395539.db2.gz WYXQAHLCUDOZLX-SFHVURJKSA-N 3 1 344.503 1.580 20 0 EDADMP O=C1CC[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC[C@@H]2N1 ZINC000661595777 452399393 /nfs/dbraw/zinc/39/93/93/452399393.db2.gz DXLBWMYRWQDHFZ-OALUTQOASA-N 2 1 343.471 1.619 20 0 EDADMP O=C1CC[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC[C@@H]2N1 ZINC000661595777 452399408 /nfs/dbraw/zinc/39/94/08/452399408.db2.gz DXLBWMYRWQDHFZ-OALUTQOASA-N 2 1 343.471 1.619 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652203673 452401418 /nfs/dbraw/zinc/40/14/18/452401418.db2.gz UQTQLZGUBMTBKC-SFHVURJKSA-N 2 1 332.492 1.943 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652203673 452401430 /nfs/dbraw/zinc/40/14/30/452401430.db2.gz UQTQLZGUBMTBKC-SFHVURJKSA-N 2 1 332.492 1.943 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652212740 452408493 /nfs/dbraw/zinc/40/84/93/452408493.db2.gz NFSOQXDUCVFQCQ-SFHVURJKSA-N 2 1 344.503 1.944 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652212740 452408498 /nfs/dbraw/zinc/40/84/98/452408498.db2.gz NFSOQXDUCVFQCQ-SFHVURJKSA-N 2 1 344.503 1.944 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652216229 452409674 /nfs/dbraw/zinc/40/96/74/452409674.db2.gz MMYOJIRVVOTKMA-NXHRZFHOSA-N 2 1 330.476 1.553 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652216229 452409682 /nfs/dbraw/zinc/40/96/82/452409682.db2.gz MMYOJIRVVOTKMA-NXHRZFHOSA-N 2 1 330.476 1.553 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000645478172 452449657 /nfs/dbraw/zinc/44/96/57/452449657.db2.gz BOVHDYHHXZLFGN-QGZVFWFLSA-N 2 1 336.455 1.012 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000663715607 452451554 /nfs/dbraw/zinc/45/15/54/452451554.db2.gz JAMGRMKZRXVFDK-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP OC[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccc(F)cc1 ZINC000655698585 452520124 /nfs/dbraw/zinc/52/01/24/452520124.db2.gz MGEGMHGYBBINAP-APWZRJJASA-N 2 1 336.451 1.820 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663790439 452521578 /nfs/dbraw/zinc/52/15/78/452521578.db2.gz BMCWETOUWGAYLK-IRXDYDNUSA-N 2 1 341.544 1.290 20 0 EDADMP Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652348474 452522126 /nfs/dbraw/zinc/52/21/26/452522126.db2.gz FKLFFIFYWPSTKN-FHWLQOOXSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663790438 452522211 /nfs/dbraw/zinc/52/22/11/452522211.db2.gz BMCWETOUWGAYLK-IAGOWNOFSA-N 2 1 341.544 1.290 20 0 EDADMP Cc1csc(=O)n1CC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346755 452523617 /nfs/dbraw/zinc/52/36/17/452523617.db2.gz GWVKHGIXYIHOCB-ZNMIVQPWSA-N 2 1 325.478 1.437 20 0 EDADMP C[C@@H]1C[NH+](CCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000655730889 452543261 /nfs/dbraw/zinc/54/32/61/452543261.db2.gz VOMVVWKSRAXIEJ-LMMKCTJWSA-N 3 1 339.524 1.719 20 0 EDADMP Cn1c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)nnc1C1CCC1 ZINC000652363915 452544667 /nfs/dbraw/zinc/54/46/67/452544667.db2.gz RVVOEXRTLIDIIA-OAGGEKHMSA-N 2 1 333.480 1.943 20 0 EDADMP Cn1c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)nnc1C1CCC1 ZINC000652363915 452544669 /nfs/dbraw/zinc/54/46/69/452544669.db2.gz RVVOEXRTLIDIIA-OAGGEKHMSA-N 2 1 333.480 1.943 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659688599 452566072 /nfs/dbraw/zinc/56/60/72/452566072.db2.gz CFNBKYOUQADIAK-HNNXBMFYSA-N 2 1 338.496 1.145 20 0 EDADMP CN(C(=O)C[N@H+](C)CCN1CC[NH2+]CC1)[C@H]1CCCc2ccccc21 ZINC000647834849 452569511 /nfs/dbraw/zinc/56/95/11/452569511.db2.gz BMDHLJDMGPACCB-IBGZPJMESA-N 2 1 344.503 1.359 20 0 EDADMP CN(C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)[C@H]1CCCc2ccccc21 ZINC000647834849 452569524 /nfs/dbraw/zinc/56/95/24/452569524.db2.gz BMDHLJDMGPACCB-IBGZPJMESA-N 2 1 344.503 1.359 20 0 EDADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834860 452569595 /nfs/dbraw/zinc/56/95/95/452569595.db2.gz CEJGKNOYQZXFQJ-KRWDZBQOSA-N 2 1 332.492 1.179 20 0 EDADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834860 452569606 /nfs/dbraw/zinc/56/96/06/452569606.db2.gz CEJGKNOYQZXFQJ-KRWDZBQOSA-N 2 1 332.492 1.179 20 0 EDADMP Cn1nccc1[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000655772308 452570159 /nfs/dbraw/zinc/57/01/59/452570159.db2.gz MTHPVTOAECGTTA-SCTDSRPQSA-N 2 1 348.491 1.873 20 0 EDADMP OCCC[N@@H+]1CCC[C@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655772682 452570305 /nfs/dbraw/zinc/57/03/05/452570305.db2.gz ZYOCZRVNQNOUNE-ROUUACIJSA-N 2 1 325.497 1.066 20 0 EDADMP OCCC[N@H+]1CCC[C@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655772682 452570315 /nfs/dbraw/zinc/57/03/15/452570315.db2.gz ZYOCZRVNQNOUNE-ROUUACIJSA-N 2 1 325.497 1.066 20 0 EDADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1(O)CCOCC1 ZINC000655776137 452572413 /nfs/dbraw/zinc/57/24/13/452572413.db2.gz IPCOGQDHDSYPPF-MRXNPFEDSA-N 2 1 326.481 1.397 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@H](C[NH3+])C(F)(F)F)CCC(F)(F)F ZINC000655929005 452698496 /nfs/dbraw/zinc/69/84/96/452698496.db2.gz PLHRNDPJAFUTJC-MRVPVSSYSA-N 2 1 338.296 1.450 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000643785038 452640985 /nfs/dbraw/zinc/64/09/85/452640985.db2.gz IDLBXVVLNXPNSV-IDTSFGKNSA-N 2 1 325.815 1.935 20 0 EDADMP COC[C@@H](CC1CCOCC1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000657992433 452666926 /nfs/dbraw/zinc/66/69/26/452666926.db2.gz JXBJRGSLQSESSP-SJLPKXTDSA-N 2 1 328.497 1.909 20 0 EDADMP Nc1ncccc1Cn1cnc2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000664006863 452708393 /nfs/dbraw/zinc/70/83/93/452708393.db2.gz LULXYDWQMZNLRI-UHFFFAOYSA-N 2 1 347.422 1.827 20 0 EDADMP Nc1ncccc1Cn1cnc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000664006863 452708399 /nfs/dbraw/zinc/70/83/99/452708399.db2.gz LULXYDWQMZNLRI-UHFFFAOYSA-N 2 1 347.422 1.827 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975673 452720382 /nfs/dbraw/zinc/72/03/82/452720382.db2.gz DMTWYGOKKLJCEP-BBWFWOEESA-N 2 1 325.497 1.629 20 0 EDADMP O=c1n2ccccc2nn1CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978590 452723386 /nfs/dbraw/zinc/72/33/86/452723386.db2.gz VFQSNEZHADQDSG-HZPDHXFCSA-N 2 1 329.448 1.208 20 0 EDADMP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000658114353 452730683 /nfs/dbraw/zinc/73/06/83/452730683.db2.gz MVDYFXOZUHLQPN-AITUJVMLSA-N 2 1 340.508 1.786 20 0 EDADMP c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+](CCN4CC[NH2+]CC4)C3)n2)cc1 ZINC000647989976 452733344 /nfs/dbraw/zinc/73/33/44/452733344.db2.gz LMYMDQPEQAXSMV-QGZVFWFLSA-N 2 1 340.475 1.556 20 0 EDADMP [NH3+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655958484 452738662 /nfs/dbraw/zinc/73/86/62/452738662.db2.gz LBDVVYGPHODTGS-JKSUJKDBSA-N 2 1 330.432 1.217 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964451 452745678 /nfs/dbraw/zinc/74/56/78/452745678.db2.gz ULUBPDUNLSMQSG-OWYFMNJBSA-N 2 1 326.485 1.301 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964451 452745685 /nfs/dbraw/zinc/74/56/85/452745685.db2.gz ULUBPDUNLSMQSG-OWYFMNJBSA-N 2 1 326.485 1.301 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C(C)(C)n1cncn1 ZINC000658138380 452746954 /nfs/dbraw/zinc/74/69/54/452746954.db2.gz MRCXYQOTBDZHJR-CRAIPNDOSA-N 2 1 343.475 1.758 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654656672 452770082 /nfs/dbraw/zinc/77/00/82/452770082.db2.gz XQEIJBLRODWNQW-MWDXBVQZSA-N 2 1 340.512 1.608 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654656672 452770086 /nfs/dbraw/zinc/77/00/86/452770086.db2.gz XQEIJBLRODWNQW-MWDXBVQZSA-N 2 1 340.512 1.608 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654656672 452770089 /nfs/dbraw/zinc/77/00/89/452770089.db2.gz XQEIJBLRODWNQW-MWDXBVQZSA-N 2 1 340.512 1.608 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654656672 452770092 /nfs/dbraw/zinc/77/00/92/452770092.db2.gz XQEIJBLRODWNQW-MWDXBVQZSA-N 2 1 340.512 1.608 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000654664576 452778879 /nfs/dbraw/zinc/77/88/79/452778879.db2.gz CWWSVHSXSJQPIB-CEXWTWQISA-N 2 1 344.503 1.895 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000654664576 452778886 /nfs/dbraw/zinc/77/88/86/452778886.db2.gz CWWSVHSXSJQPIB-CEXWTWQISA-N 2 1 344.503 1.895 20 0 EDADMP Cc1ccc(NC(=O)COCC[NH3+])cc1NC(=O)C[NH+]1CCCCC1 ZINC000645785322 452788257 /nfs/dbraw/zinc/78/82/57/452788257.db2.gz YVZSSRZRTNWPKC-UHFFFAOYSA-N 2 1 348.447 1.333 20 0 EDADMP Cn1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(-c2cccnc2)n1 ZINC000648071527 452800135 /nfs/dbraw/zinc/80/01/35/452800135.db2.gz GSFIPUPPQCZRKJ-UHFFFAOYSA-N 2 1 341.459 1.779 20 0 EDADMP Cn1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(-c2cccnc2)n1 ZINC000648071527 452800140 /nfs/dbraw/zinc/80/01/40/452800140.db2.gz GSFIPUPPQCZRKJ-UHFFFAOYSA-N 2 1 341.459 1.779 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCO[C@H](C)C3)CC2)CC1 ZINC000659911851 452801128 /nfs/dbraw/zinc/80/11/28/452801128.db2.gz JGARESYKJWEAGN-SJLPKXTDSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(COC)CC1 ZINC000654689598 452810420 /nfs/dbraw/zinc/81/04/20/452810420.db2.gz LXRKKKXYKFSMAH-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000648128507 452842100 /nfs/dbraw/zinc/84/21/00/452842100.db2.gz WOBLFJJWKJBUFZ-CABCVRRESA-N 2 1 349.479 1.243 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000659949745 452843994 /nfs/dbraw/zinc/84/39/94/452843994.db2.gz VXJCGQPHIVZJRR-HNNXBMFYSA-N 2 1 325.478 1.368 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000659949745 452844008 /nfs/dbraw/zinc/84/40/08/452844008.db2.gz VXJCGQPHIVZJRR-HNNXBMFYSA-N 2 1 325.478 1.368 20 0 EDADMP CNS(=O)(=O)c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000659949745 452844011 /nfs/dbraw/zinc/84/40/11/452844011.db2.gz VXJCGQPHIVZJRR-HNNXBMFYSA-N 2 1 325.478 1.368 20 0 EDADMP CNS(=O)(=O)c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000659949745 452844012 /nfs/dbraw/zinc/84/40/12/452844012.db2.gz VXJCGQPHIVZJRR-HNNXBMFYSA-N 2 1 325.478 1.368 20 0 EDADMP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000645846700 452846929 /nfs/dbraw/zinc/84/69/29/452846929.db2.gz UIESJWQXAPLNLN-HOCLYGCPSA-N 2 1 344.459 1.320 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000652701791 452851871 /nfs/dbraw/zinc/85/18/71/452851871.db2.gz JCDIIABVLRBKNL-UHFFFAOYSA-N 2 1 346.475 1.000 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1)Cc1ccccc1 ZINC000645933613 452912368 /nfs/dbraw/zinc/91/23/68/452912368.db2.gz LYMRYDMRIGJHDU-SFHVURJKSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000645977679 452965012 /nfs/dbraw/zinc/96/50/12/452965012.db2.gz IJPICGHRYPSJCJ-RHSMWYFYSA-N 2 1 330.476 1.605 20 0 EDADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000645977679 452965017 /nfs/dbraw/zinc/96/50/17/452965017.db2.gz IJPICGHRYPSJCJ-RHSMWYFYSA-N 2 1 330.476 1.605 20 0 EDADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000645977681 452966532 /nfs/dbraw/zinc/96/65/32/452966532.db2.gz IJPICGHRYPSJCJ-YOEHRIQHSA-N 2 1 330.476 1.605 20 0 EDADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000645977681 452966539 /nfs/dbraw/zinc/96/65/39/452966539.db2.gz IJPICGHRYPSJCJ-YOEHRIQHSA-N 2 1 330.476 1.605 20 0 EDADMP C[C@@H](C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C ZINC000652814182 452975887 /nfs/dbraw/zinc/97/58/87/452975887.db2.gz SYBTZIPPDOMLNT-RYQLBKOJSA-N 2 1 331.460 1.438 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3COC)CC2)CC1 ZINC000654857351 452980238 /nfs/dbraw/zinc/98/02/38/452980238.db2.gz OFMLNPSWFLOXRK-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000662299133 453020142 /nfs/dbraw/zinc/02/01/42/453020142.db2.gz ZXXJUODNHAJEML-FHWLQOOXSA-N 2 1 349.519 1.868 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)cc1 ZINC000662315825 453032898 /nfs/dbraw/zinc/03/28/98/453032898.db2.gz HJFVMILRCPKXJH-IAGOWNOFSA-N 2 1 333.476 1.974 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327516 453045472 /nfs/dbraw/zinc/04/54/72/453045472.db2.gz QGDOUEJKCJDKSW-GOSISDBHSA-N 3 1 335.496 1.027 20 0 EDADMP C[C@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065480 453077663 /nfs/dbraw/zinc/07/76/63/453077663.db2.gz LASQVQLKWRLBTQ-DOTOQJQBSA-N 2 1 331.460 1.521 20 0 EDADMP C[C@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065480 453077671 /nfs/dbraw/zinc/07/76/71/453077671.db2.gz LASQVQLKWRLBTQ-DOTOQJQBSA-N 2 1 331.460 1.521 20 0 EDADMP CCN1CC[C@@H]([NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)C1=O ZINC000660155940 453087963 /nfs/dbraw/zinc/08/79/63/453087963.db2.gz FGOUYILUNRODGC-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000644154768 453088228 /nfs/dbraw/zinc/08/82/28/453088228.db2.gz UZZFSPHUWVDRAE-IAGOWNOFSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644160230 453091202 /nfs/dbraw/zinc/09/12/02/453091202.db2.gz VBAFQTLWNLCWTP-FVQBIDKESA-N 2 1 337.414 1.868 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@H+](CCc1nc3ccccc3c(=O)[nH]1)CCO2 ZINC000646106259 453110014 /nfs/dbraw/zinc/11/00/14/453110014.db2.gz WHOVMSFJLAHAMS-UHFFFAOYSA-N 2 1 342.443 1.675 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](CCc1nc3ccccc3c(=O)[nH]1)CCO2 ZINC000646106259 453110023 /nfs/dbraw/zinc/11/00/23/453110023.db2.gz WHOVMSFJLAHAMS-UHFFFAOYSA-N 2 1 342.443 1.675 20 0 EDADMP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000662405801 453116421 /nfs/dbraw/zinc/11/64/21/453116421.db2.gz RQNNWLOOOHUPQP-ZWNOBZJWSA-N 2 1 326.238 1.565 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662407145 453118343 /nfs/dbraw/zinc/11/83/43/453118343.db2.gz TUSRVJFXVXSIEI-MFKMUULPSA-N 2 1 326.238 1.659 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662421799 453131267 /nfs/dbraw/zinc/13/12/67/453131267.db2.gz PBDSNRQQGMKWDD-AWEZNQCLSA-N 2 1 334.464 1.992 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1CCO ZINC000655017083 453140401 /nfs/dbraw/zinc/14/04/01/453140401.db2.gz VGBCTGOHUVWBPD-GOSISDBHSA-N 2 1 345.487 1.424 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCO ZINC000655017083 453140407 /nfs/dbraw/zinc/14/04/07/453140407.db2.gz VGBCTGOHUVWBPD-GOSISDBHSA-N 2 1 345.487 1.424 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCO ZINC000655017083 453140411 /nfs/dbraw/zinc/14/04/11/453140411.db2.gz VGBCTGOHUVWBPD-GOSISDBHSA-N 2 1 345.487 1.424 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000655017083 453140418 /nfs/dbraw/zinc/14/04/18/453140418.db2.gz VGBCTGOHUVWBPD-GOSISDBHSA-N 2 1 345.487 1.424 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000655017083 453140427 /nfs/dbraw/zinc/14/04/27/453140427.db2.gz VGBCTGOHUVWBPD-GOSISDBHSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000646139701 453148332 /nfs/dbraw/zinc/14/83/32/453148332.db2.gz FYGDDPHMJFVEFC-SJLPKXTDSA-N 2 1 333.476 1.319 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)CC[N@H+]1C ZINC000646159408 453171189 /nfs/dbraw/zinc/17/11/89/453171189.db2.gz DXKGMHSOOXOTGJ-KKUMJFAQSA-N 2 1 335.452 1.128 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662470102 453181060 /nfs/dbraw/zinc/18/10/60/453181060.db2.gz CQCMXRGNNYVWOR-SFHVURJKSA-N 2 1 330.476 1.317 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000660300422 453188721 /nfs/dbraw/zinc/18/87/21/453188721.db2.gz MWYAAGGDWQFJTA-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662487005 453201992 /nfs/dbraw/zinc/20/19/92/453201992.db2.gz OANQQCHKMUAEJW-GOSISDBHSA-N 2 1 331.460 1.790 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000662497310 453213549 /nfs/dbraw/zinc/21/35/49/453213549.db2.gz RJGHOKQZPQKWGW-WMLDXEAASA-N 2 1 335.448 1.392 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000662497310 453213556 /nfs/dbraw/zinc/21/35/56/453213556.db2.gz RJGHOKQZPQKWGW-WMLDXEAASA-N 2 1 335.448 1.392 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000648731131 453218580 /nfs/dbraw/zinc/21/85/80/453218580.db2.gz FDFNDCZHQBELEC-OIISXLGYSA-N 2 1 325.497 1.580 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000648731131 453218589 /nfs/dbraw/zinc/21/85/89/453218589.db2.gz FDFNDCZHQBELEC-OIISXLGYSA-N 2 1 325.497 1.580 20 0 EDADMP CCN1CCC([NH+]2CCC(C(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)CC2)CC1 ZINC000655105213 453224315 /nfs/dbraw/zinc/22/43/15/453224315.db2.gz UNPUWOMFYWASFF-HKUYNNGSSA-N 2 1 348.535 1.345 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)CC2)CC1 ZINC000655105213 453224326 /nfs/dbraw/zinc/22/43/26/453224326.db2.gz UNPUWOMFYWASFF-HKUYNNGSSA-N 3 1 348.535 1.345 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)CC2)CC1 ZINC000655105213 453224335 /nfs/dbraw/zinc/22/43/35/453224335.db2.gz UNPUWOMFYWASFF-HKUYNNGSSA-N 3 1 348.535 1.345 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2)CC1 ZINC000646214273 453227487 /nfs/dbraw/zinc/22/74/87/453227487.db2.gz QWXNFUWGZASYDU-HZPDHXFCSA-N 2 1 339.528 1.312 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000664600098 453235114 /nfs/dbraw/zinc/23/51/14/453235114.db2.gz DIOKSNLIFAHDCG-GJZGRUSLSA-N 2 1 342.528 1.904 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000664600098 453235122 /nfs/dbraw/zinc/23/51/22/453235122.db2.gz DIOKSNLIFAHDCG-GJZGRUSLSA-N 2 1 342.528 1.904 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666974480 453291849 /nfs/dbraw/zinc/29/18/49/453291849.db2.gz RGUBUASVCYCPFS-DJIMGWMZSA-N 2 1 338.496 1.221 20 0 EDADMP CCn1ccnc1CNC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000651131009 453301024 /nfs/dbraw/zinc/30/10/24/453301024.db2.gz DJABMYZBSOVACY-KRWDZBQOSA-N 2 1 341.459 1.971 20 0 EDADMP CCn1ccnc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000651131009 453301032 /nfs/dbraw/zinc/30/10/32/453301032.db2.gz DJABMYZBSOVACY-KRWDZBQOSA-N 2 1 341.459 1.971 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653114011 453301925 /nfs/dbraw/zinc/30/19/25/453301925.db2.gz VTVQGEOOMPHBCY-MPGHIAIKSA-N 2 1 349.500 1.312 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000653122365 453313571 /nfs/dbraw/zinc/31/35/71/453313571.db2.gz VACBTITYZBEJLC-GDAAHCPNSA-N 2 1 345.487 1.910 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000653122365 453313576 /nfs/dbraw/zinc/31/35/76/453313576.db2.gz VACBTITYZBEJLC-GDAAHCPNSA-N 2 1 345.487 1.910 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667088160 453396918 /nfs/dbraw/zinc/39/69/18/453396918.db2.gz FBFVQKBNSWCDDP-CVEARBPZSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cccn2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000646457218 453403200 /nfs/dbraw/zinc/40/32/00/453403200.db2.gz MWUNMLFIAUTUCI-IYBDPMFKSA-N 2 1 348.491 1.594 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)c2cccn2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000646457218 453403210 /nfs/dbraw/zinc/40/32/10/453403210.db2.gz MWUNMLFIAUTUCI-IYBDPMFKSA-N 2 1 348.491 1.594 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1F ZINC000662695084 453417096 /nfs/dbraw/zinc/41/70/96/453417096.db2.gz FYHFNFGBSSVOBX-CJNGLKHVSA-N 2 1 332.379 1.300 20 0 EDADMP C[N@@H+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)[C@H](Cc2ccccc2)C1 ZINC000653254737 453437552 /nfs/dbraw/zinc/43/75/52/453437552.db2.gz ZCHPIMXCIMJGEZ-IAGOWNOFSA-N 2 1 333.501 1.467 20 0 EDADMP C[N@H+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)[C@H](Cc2ccccc2)C1 ZINC000653254737 453437559 /nfs/dbraw/zinc/43/75/59/453437559.db2.gz ZCHPIMXCIMJGEZ-IAGOWNOFSA-N 2 1 333.501 1.467 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662729695 453456833 /nfs/dbraw/zinc/45/68/33/453456833.db2.gz TZXFAGKQEFIQEI-UHFFFAOYSA-N 2 1 330.432 1.800 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1cnn2ccccc12 ZINC000664880089 453460868 /nfs/dbraw/zinc/46/08/68/453460868.db2.gz VMHGQUVANJVHEI-HNNXBMFYSA-N 2 1 346.479 1.406 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1cnn2ccccc12 ZINC000664880089 453460877 /nfs/dbraw/zinc/46/08/77/453460877.db2.gz VMHGQUVANJVHEI-HNNXBMFYSA-N 2 1 346.479 1.406 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662743731 453471079 /nfs/dbraw/zinc/47/10/79/453471079.db2.gz LLGNNSYDPGLMOQ-QZTJIDSGSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664920883 453484307 /nfs/dbraw/zinc/48/43/07/453484307.db2.gz RMANAQODHQFYQG-HOTGVXAUSA-N 2 1 328.501 1.467 20 0 EDADMP CN1CCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)[C@@H](C[NH3+])C1 ZINC000667279418 453530283 /nfs/dbraw/zinc/53/02/83/453530283.db2.gz WALSRSLLJHRQLC-JTQLQIEISA-N 2 1 338.362 1.607 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000655443145 453530454 /nfs/dbraw/zinc/53/04/54/453530454.db2.gz BUNUCFLHEIHHAI-JENIJYKNSA-N 2 1 337.508 1.629 20 0 EDADMP CCN(C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000667325005 453557454 /nfs/dbraw/zinc/55/74/54/453557454.db2.gz NUCLFWAXBJFHRM-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP CCN(C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1CC[NH+](C)C1 ZINC000667325005 453557457 /nfs/dbraw/zinc/55/74/57/453557457.db2.gz NUCLFWAXBJFHRM-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP CCN(C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)[C@H]1CC[NH+](C)C1 ZINC000667325005 453557462 /nfs/dbraw/zinc/55/74/62/453557462.db2.gz NUCLFWAXBJFHRM-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000646690829 453562301 /nfs/dbraw/zinc/56/23/01/453562301.db2.gz WDJPWCYXPWCMIP-INIZCTEOSA-N 2 1 336.505 1.915 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCC3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC000667336715 453567849 /nfs/dbraw/zinc/56/78/49/453567849.db2.gz NGEPVLIVSJHAQO-MSOLQXFVSA-N 2 1 334.508 1.844 20 0 EDADMP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000659034350 453590709 /nfs/dbraw/zinc/59/07/09/453590709.db2.gz LYAWKQCTTGGVJH-MSOLQXFVSA-N 2 1 344.459 1.953 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000662939347 453614780 /nfs/dbraw/zinc/61/47/80/453614780.db2.gz FAALPYDPLALGQW-NZSAHSFTSA-N 2 1 344.503 1.307 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000662939347 453614786 /nfs/dbraw/zinc/61/47/86/453614786.db2.gz FAALPYDPLALGQW-NZSAHSFTSA-N 2 1 344.503 1.307 20 0 EDADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1C ZINC000665290720 453637414 /nfs/dbraw/zinc/63/74/14/453637414.db2.gz IOGNFDJMAIZQQM-LBPRGKRZSA-N 2 1 343.431 1.765 20 0 EDADMP C[C@H]1C[C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000665292159 453639674 /nfs/dbraw/zinc/63/96/74/453639674.db2.gz USXFKHSOTAYIDH-BBRMVZONSA-N 2 1 327.432 1.394 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000659304321 453708274 /nfs/dbraw/zinc/70/82/74/453708274.db2.gz AOVLTUWVIVQDQI-JGVFFNPUSA-N 2 1 344.278 1.923 20 0 EDADMP c1cnc(N[C@H]2CC[N@H+](C3CC3)C2)c(N[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000663424952 453794187 /nfs/dbraw/zinc/79/41/87/453794187.db2.gz KOOLBHHTLLBRPR-OKILXGFUSA-N 2 1 328.464 1.774 20 0 EDADMP c1cnc(N[C@H]2CC[NH+](C3CC3)C2)c(N[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000663424952 453794190 /nfs/dbraw/zinc/79/41/90/453794190.db2.gz KOOLBHHTLLBRPR-OKILXGFUSA-N 2 1 328.464 1.774 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663444738 453800736 /nfs/dbraw/zinc/80/07/36/453800736.db2.gz DTPFESLSVPAHRC-KRWDZBQOSA-N 2 1 338.496 1.100 20 0 EDADMP c1ncc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000663510933 453813149 /nfs/dbraw/zinc/81/31/49/453813149.db2.gz IHAWFIOCJDNACL-ZDUSSCGKSA-N 2 1 332.477 1.655 20 0 EDADMP [NH3+][C@H](C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000662860652 486662329 /nfs/dbraw/zinc/66/23/29/486662329.db2.gz SSNCNVRYCXGHLU-MOPGFXCFSA-N 2 1 339.439 1.569 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000676245327 486704778 /nfs/dbraw/zinc/70/47/78/486704778.db2.gz LODZVXWCESDEGI-OWCLPIDISA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000676243770 486703340 /nfs/dbraw/zinc/70/33/40/486703340.db2.gz XEQUYZWXPITXJC-YESZJQIVSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000676243770 486703341 /nfs/dbraw/zinc/70/33/41/486703341.db2.gz XEQUYZWXPITXJC-YESZJQIVSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000676243770 486703343 /nfs/dbraw/zinc/70/33/43/486703343.db2.gz XEQUYZWXPITXJC-YESZJQIVSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000676243770 486703346 /nfs/dbraw/zinc/70/33/46/486703346.db2.gz XEQUYZWXPITXJC-YESZJQIVSA-N 2 1 340.512 1.659 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000676287582 486720726 /nfs/dbraw/zinc/72/07/26/486720726.db2.gz VRFTZRMPUXWNBZ-YJBOKZPZSA-N 2 1 333.476 1.977 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000676287582 486720730 /nfs/dbraw/zinc/72/07/30/486720730.db2.gz VRFTZRMPUXWNBZ-YJBOKZPZSA-N 2 1 333.476 1.977 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671745958 486739950 /nfs/dbraw/zinc/73/99/50/486739950.db2.gz BTCJPWUNZOWEGK-GFCCVEGCSA-N 2 1 332.404 1.348 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)[C@H]2CCC[C@@H]21 ZINC000671747114 486740282 /nfs/dbraw/zinc/74/02/82/486740282.db2.gz JMCLHRBPTPKSNK-LMSBXDPUSA-N 2 1 342.487 1.827 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)CC1 ZINC000680993273 486914733 /nfs/dbraw/zinc/91/47/33/486914733.db2.gz QREVFWGEYFRORV-BQFCYCMXSA-N 2 1 333.476 1.293 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000673177109 486936061 /nfs/dbraw/zinc/93/60/61/486936061.db2.gz GEPZGGJGBIHJMJ-HNNXBMFYSA-N 2 1 326.485 1.271 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000684257035 487003383 /nfs/dbraw/zinc/00/33/83/487003383.db2.gz SZMRQPUDGSIRRX-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000684257035 487003386 /nfs/dbraw/zinc/00/33/86/487003386.db2.gz SZMRQPUDGSIRRX-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000684257035 487003391 /nfs/dbraw/zinc/00/33/91/487003391.db2.gz SZMRQPUDGSIRRX-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000677335817 487048986 /nfs/dbraw/zinc/04/89/86/487048986.db2.gz CLFSJSGDIPZMJN-BHYGNILZSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000677335817 487048990 /nfs/dbraw/zinc/04/89/90/487048990.db2.gz CLFSJSGDIPZMJN-BHYGNILZSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000673670700 487085124 /nfs/dbraw/zinc/08/51/24/487085124.db2.gz NKXWOBORDSKRHW-JXFKEZNVSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@@H](C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000674245679 487222792 /nfs/dbraw/zinc/22/27/92/487222792.db2.gz SXQJWTHSSLNGQA-WMZOPIPTSA-N 2 1 332.492 1.432 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000678294200 487284126 /nfs/dbraw/zinc/28/41/26/487284126.db2.gz SHBRSFUDXXWLLN-AEFFLSMTSA-N 2 1 343.471 1.791 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000678294200 487284130 /nfs/dbraw/zinc/28/41/30/487284130.db2.gz SHBRSFUDXXWLLN-AEFFLSMTSA-N 2 1 343.471 1.791 20 0 EDADMP C[C@@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000682109617 487304590 /nfs/dbraw/zinc/30/45/90/487304590.db2.gz LWSZDKHXZNYHTR-RHSMWYFYSA-N 2 1 334.464 1.631 20 0 EDADMP C[C@@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000682109617 487304592 /nfs/dbraw/zinc/30/45/92/487304592.db2.gz LWSZDKHXZNYHTR-RHSMWYFYSA-N 2 1 334.464 1.631 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000682273691 487334497 /nfs/dbraw/zinc/33/44/97/487334497.db2.gz NGWKYNHTWCMMPT-MRXNPFEDSA-N 2 1 344.459 1.561 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000682273691 487334501 /nfs/dbraw/zinc/33/45/01/487334501.db2.gz NGWKYNHTWCMMPT-MRXNPFEDSA-N 2 1 344.459 1.561 20 0 EDADMP C[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000669538387 485520652 /nfs/dbraw/zinc/52/06/52/485520652.db2.gz OHKFSVMNHFTOOV-USXIJHARSA-N 2 1 334.464 1.485 20 0 EDADMP C[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538387 485520662 /nfs/dbraw/zinc/52/06/62/485520662.db2.gz OHKFSVMNHFTOOV-USXIJHARSA-N 2 1 334.464 1.485 20 0 EDADMP Cc1ccc(CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000669555904 485557258 /nfs/dbraw/zinc/55/72/58/485557258.db2.gz NUUPKEJSTIPHIQ-ZBFHGGJFSA-N 2 1 347.463 1.248 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000669021250 485568156 /nfs/dbraw/zinc/56/81/56/485568156.db2.gz MDNKXXZERWDIBR-OWCLPIDISA-N 2 1 326.485 1.112 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000669570250 485588550 /nfs/dbraw/zinc/58/85/50/485588550.db2.gz FICJAAYBLLLORK-SJORKVTESA-N 2 1 348.516 1.655 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000669570250 485588556 /nfs/dbraw/zinc/58/85/56/485588556.db2.gz FICJAAYBLLLORK-SJORKVTESA-N 2 1 348.516 1.655 20 0 EDADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000343825040 485938230 /nfs/dbraw/zinc/93/82/30/485938230.db2.gz GWQZTBDLYHYHPJ-QGTPRVQTSA-N 2 1 335.492 1.334 20 0 EDADMP O=C(NCCN1CC[C@@H](O)C1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000629174238 486115280 /nfs/dbraw/zinc/11/52/80/486115280.db2.gz WZTYFNWQJXQDID-QZTJIDSGSA-N 2 1 349.450 1.363 20 0 EDADMP [NH3+]C[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000669459229 486213602 /nfs/dbraw/zinc/21/36/02/486213602.db2.gz VTZDZGMZDORHHD-QZTJIDSGSA-N 2 1 330.476 1.541 20 0 EDADMP C[C@H](NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C1CC[NH+](C)CC1 ZINC000669490451 486263762 /nfs/dbraw/zinc/26/37/62/486263762.db2.gz HNGMVIGTGAZRAL-YOEHRIQHSA-N 2 1 331.464 1.468 20 0 EDADMP CN(CC[NH+]1CCCCC1)c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1C ZINC000668930983 486355374 /nfs/dbraw/zinc/35/53/74/486355374.db2.gz UJPKENRTNZAJQR-CVEARBPZSA-N 2 1 348.495 1.273 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)CCOC)CC2)CC1 ZINC000088511116 491195166 /nfs/dbraw/zinc/19/51/66/491195166.db2.gz BHKFWCNCFILCMV-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000132866921 491217606 /nfs/dbraw/zinc/21/76/06/491217606.db2.gz JTRBMMLMRYHGKB-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000132866921 491217611 /nfs/dbraw/zinc/21/76/11/491217611.db2.gz JTRBMMLMRYHGKB-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H](C[NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494785 490998450 /nfs/dbraw/zinc/99/84/50/490998450.db2.gz MAYSXIZMHNUGIO-JQHSSLGASA-N 2 1 346.475 1.266 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H](C[NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494785 490998451 /nfs/dbraw/zinc/99/84/51/490998451.db2.gz MAYSXIZMHNUGIO-JQHSSLGASA-N 2 1 346.475 1.266 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC/C=C/C[NH3+] ZINC000669495488 490998610 /nfs/dbraw/zinc/99/86/10/490998610.db2.gz UTKPGJULOWJPTB-JFDDCEBESA-N 2 1 331.464 1.011 20 0 EDADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C[C@@H]3CNc4ccnn4C3)cc2)C1 ZINC000668490355 491180047 /nfs/dbraw/zinc/18/00/47/491180047.db2.gz QHEFGLFNBLMSMS-MSOLQXFVSA-N 2 1 341.459 1.281 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000236666034 535108471 /nfs/dbraw/zinc/10/84/71/535108471.db2.gz OQNVPCPGNQAGSE-AEFFLSMTSA-N 2 1 325.497 1.629 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000152528325 535356686 /nfs/dbraw/zinc/35/66/86/535356686.db2.gz YFGFHSHBPAGFKV-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[NH+](C)[C@@H]2C)CC[N@H+]1CCOC ZINC000345760634 535432053 /nfs/dbraw/zinc/43/20/53/535432053.db2.gz UYLUGATXJWZBEX-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC[NH+]1CCOC ZINC000345760634 535432055 /nfs/dbraw/zinc/43/20/55/535432055.db2.gz UYLUGATXJWZBEX-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC[NH+]1CCOC ZINC000345760634 535432058 /nfs/dbraw/zinc/43/20/58/535432058.db2.gz UYLUGATXJWZBEX-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H](C)[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000347448315 535555975 /nfs/dbraw/zinc/55/59/75/535555975.db2.gz CHBBCSWEXYWIQR-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP CC[C@@H](C)[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000347448315 535555982 /nfs/dbraw/zinc/55/59/82/535555982.db2.gz CHBBCSWEXYWIQR-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP CCOc1ccnc(N2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)CC2)n1 ZINC000125618900 535557111 /nfs/dbraw/zinc/55/71/11/535557111.db2.gz KJEMECAIYBETSV-INIZCTEOSA-N 2 1 333.480 1.872 20 0 EDADMP CCOc1ccnc(N2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)CC2)n1 ZINC000125618900 535557117 /nfs/dbraw/zinc/55/71/17/535557117.db2.gz KJEMECAIYBETSV-INIZCTEOSA-N 2 1 333.480 1.872 20 0 EDADMP CCOc1ccnc(N2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000125618900 535557118 /nfs/dbraw/zinc/55/71/18/535557118.db2.gz KJEMECAIYBETSV-INIZCTEOSA-N 2 1 333.480 1.872 20 0 EDADMP CCOc1ccnc(N2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000125618900 535557120 /nfs/dbraw/zinc/55/71/20/535557120.db2.gz KJEMECAIYBETSV-INIZCTEOSA-N 2 1 333.480 1.872 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccnn1C ZINC000263657762 535592717 /nfs/dbraw/zinc/59/27/17/535592717.db2.gz CIIVBFKVMPSDKO-IJDCCNJMSA-N 2 1 333.480 1.308 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000075535205 535600014 /nfs/dbraw/zinc/60/00/14/535600014.db2.gz NFZUBDNVZFKFNP-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000075535205 535600021 /nfs/dbraw/zinc/60/00/21/535600021.db2.gz NFZUBDNVZFKFNP-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000347470104 535675849 /nfs/dbraw/zinc/67/58/49/535675849.db2.gz AGUWXAUQXJLDDV-UHFFFAOYSA-N 2 1 338.540 1.594 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000248027084 535682485 /nfs/dbraw/zinc/68/24/85/535682485.db2.gz JTYVEXYZCOLMKT-QUCCMNQESA-N 2 1 344.503 1.576 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000248027084 535682488 /nfs/dbraw/zinc/68/24/88/535682488.db2.gz JTYVEXYZCOLMKT-QUCCMNQESA-N 2 1 344.503 1.576 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000248027084 535682493 /nfs/dbraw/zinc/68/24/93/535682493.db2.gz JTYVEXYZCOLMKT-QUCCMNQESA-N 2 1 344.503 1.576 20 0 EDADMP CCN(C)C(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000264274619 535713593 /nfs/dbraw/zinc/71/35/93/535713593.db2.gz BUSJLEPKQMBTDR-IBGZPJMESA-N 2 1 347.503 1.842 20 0 EDADMP CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1O ZINC000270989294 535848687 /nfs/dbraw/zinc/84/86/87/535848687.db2.gz XWOMPXPTBWKYLL-MOPGFXCFSA-N 2 1 345.487 1.601 20 0 EDADMP CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262330427 536003315 /nfs/dbraw/zinc/00/33/15/536003315.db2.gz GQCLLJFRNOMIPC-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP Cn1nccc1N1CCC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352702928 536059048 /nfs/dbraw/zinc/05/90/48/536059048.db2.gz CXPBAGXLVZHOOT-ZDUSSCGKSA-N 2 1 334.493 1.697 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000262634479 536772047 /nfs/dbraw/zinc/77/20/47/536772047.db2.gz GQUUGAMNQGNWTQ-JYJNAYRXSA-N 2 1 347.459 1.522 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000262634479 536772057 /nfs/dbraw/zinc/77/20/57/536772057.db2.gz GQUUGAMNQGNWTQ-JYJNAYRXSA-N 2 1 347.459 1.522 20 0 EDADMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)ccc1OCC(F)(F)F ZINC000263133383 536802058 /nfs/dbraw/zinc/80/20/58/536802058.db2.gz BWFVJVIVKUKUTH-NWDGAFQWSA-N 2 1 334.338 1.306 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)C[C@@H](C)O)cc2)CC1 ZINC000741806985 579429492 /nfs/dbraw/zinc/42/94/92/579429492.db2.gz SMXZHAIVEQACKP-OAHLLOKOSA-N 2 1 334.464 1.080 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)C[C@@H](C)O)cc2)CC1 ZINC000741806985 579429493 /nfs/dbraw/zinc/42/94/93/579429493.db2.gz SMXZHAIVEQACKP-OAHLLOKOSA-N 2 1 334.464 1.080 20 0 EDADMP CC[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[N@H+]1C[C@H](C)O ZINC000742780191 579462138 /nfs/dbraw/zinc/46/21/38/579462138.db2.gz IMZLUULSDBZXEA-IRXDYDNUSA-N 2 1 325.497 1.556 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731479214 578675194 /nfs/dbraw/zinc/67/51/94/578675194.db2.gz PWRACHGYJVODCG-UHFFFAOYSA-N 2 1 349.479 1.031 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=S)NCC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000760483669 580031825 /nfs/dbraw/zinc/03/18/25/580031825.db2.gz BZTYBEGOMXVOMO-ZBFHGGJFSA-N 2 1 326.554 1.865 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000732448204 578712727 /nfs/dbraw/zinc/71/27/27/578712727.db2.gz FPZAHNAHLSCBNY-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[N@@H+](C)Cc1ccccc1 ZINC000735855715 578929429 /nfs/dbraw/zinc/92/94/29/578929429.db2.gz NVLDCQMMOPIJSG-KBAYOESNSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+](C)Cc1ccccc1 ZINC000735855715 578929430 /nfs/dbraw/zinc/92/94/30/578929430.db2.gz NVLDCQMMOPIJSG-KBAYOESNSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+](C)Cc1ccccc1 ZINC000735855715 578929431 /nfs/dbraw/zinc/92/94/31/578929431.db2.gz NVLDCQMMOPIJSG-KBAYOESNSA-N 2 1 331.460 1.486 20 0 EDADMP C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000736857425 579027102 /nfs/dbraw/zinc/02/71/02/579027102.db2.gz NNXLQIHMEINFCK-AWEZNQCLSA-N 2 1 330.436 1.519 20 0 EDADMP C[NH+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000736857425 579027103 /nfs/dbraw/zinc/02/71/03/579027103.db2.gz NNXLQIHMEINFCK-AWEZNQCLSA-N 2 1 330.436 1.519 20 0 EDADMP C[NH+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000736857425 579027104 /nfs/dbraw/zinc/02/71/04/579027104.db2.gz NNXLQIHMEINFCK-AWEZNQCLSA-N 2 1 330.436 1.519 20 0 EDADMP CC[NH+](CC)CC1CC[NH+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000738070092 579156803 /nfs/dbraw/zinc/15/68/03/579156803.db2.gz AXNOGMFYHIXICY-CALCHBBNSA-N 2 1 333.476 1.949 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)CN1CC[NH+](C)CC1 ZINC000745696614 579558248 /nfs/dbraw/zinc/55/82/48/579558248.db2.gz HGNSGMNEGAJWOY-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000746392969 579591298 /nfs/dbraw/zinc/59/12/98/579591298.db2.gz IHFQLUPKHJJTSX-UHFFFAOYSA-N 2 1 344.569 1.491 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2C[C@@H](C(C)C)CC2=O)C1 ZINC000747469631 579645257 /nfs/dbraw/zinc/64/52/57/579645257.db2.gz GMEDFDDZBBXBRL-IRXDYDNUSA-N 2 1 325.497 1.881 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2C[C@@H](C(C)C)CC2=O)C1 ZINC000747469631 579645259 /nfs/dbraw/zinc/64/52/59/579645259.db2.gz GMEDFDDZBBXBRL-IRXDYDNUSA-N 2 1 325.497 1.881 20 0 EDADMP CSCCNC(=S)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000752742806 579864907 /nfs/dbraw/zinc/86/49/07/579864907.db2.gz IZTGPSRVUQCDEO-UHFFFAOYSA-N 2 1 325.507 1.483 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)NCc2ccon2)CC1 ZINC000764457256 580120637 /nfs/dbraw/zinc/12/06/37/580120637.db2.gz JNMGGPPWTONWIE-UHFFFAOYSA-N 2 1 332.433 1.308 20 0 EDADMP CN(c1ccccc1C[N@@H+]1CCCNC(=O)C1)C1CC[NH+](C)CC1 ZINC000769113126 580228778 /nfs/dbraw/zinc/22/87/78/580228778.db2.gz ATEDOMDVQXFWCY-UHFFFAOYSA-N 2 1 330.476 1.539 20 0 EDADMP CN(c1ccccc1C[N@H+]1CCCNC(=O)C1)C1CC[NH+](C)CC1 ZINC000769113126 580228779 /nfs/dbraw/zinc/22/87/79/580228779.db2.gz ATEDOMDVQXFWCY-UHFFFAOYSA-N 2 1 330.476 1.539 20 0 EDADMP CC(C)(CC[NH+]1CCCCCC1)NC(=O)CC[NH+]1CCOCC1 ZINC000775445105 580390961 /nfs/dbraw/zinc/39/09/61/580390961.db2.gz KVQNFGLZNOXFCR-UHFFFAOYSA-N 2 1 325.497 1.870 20 0 EDADMP C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779013657 580478009 /nfs/dbraw/zinc/47/80/09/580478009.db2.gz HQVJHXUJKASHFJ-PKOBYXMFSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779013657 580478010 /nfs/dbraw/zinc/47/80/10/580478010.db2.gz HQVJHXUJKASHFJ-PKOBYXMFSA-N 2 1 345.487 1.736 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N(C)Cc2ccccc2)C1 ZINC000779657063 580493711 /nfs/dbraw/zinc/49/37/11/580493711.db2.gz ZVELVEDFKFIMSG-MRXNPFEDSA-N 2 1 348.447 1.253 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N(C)Cc2ccccc2)C1 ZINC000779657063 580493712 /nfs/dbraw/zinc/49/37/12/580493712.db2.gz ZVELVEDFKFIMSG-MRXNPFEDSA-N 2 1 348.447 1.253 20 0 EDADMP Cn1cncc1[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000783989713 580610503 /nfs/dbraw/zinc/61/05/03/580610503.db2.gz IANKFWXLNSOSNF-SJORKVTESA-N 2 1 345.491 1.357 20 0 EDADMP COC(=O)/C(C)=C\C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000796277130 580949839 /nfs/dbraw/zinc/94/98/39/580949839.db2.gz VCADYMQZHSVONS-NVMNQCDNSA-N 2 1 345.487 1.855 20 0 EDADMP Cn1c(Cl)nc(Cl)c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000799345436 581026133 /nfs/dbraw/zinc/02/61/33/581026133.db2.gz BOGAEASMDQYJFZ-UHFFFAOYSA-N 2 1 334.295 1.843 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)C2(C[NH3+])CCCCC2)CCCO1 ZINC000891858625 590659072 /nfs/dbraw/zinc/65/90/72/590659072.db2.gz SVOPHPLAXMZFRE-MRXNPFEDSA-N 2 1 340.512 1.790 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893190704 590703265 /nfs/dbraw/zinc/70/32/65/590703265.db2.gz FSJHGGZINLBICX-SJORKVTESA-N 2 1 349.479 1.212 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893190704 590703269 /nfs/dbraw/zinc/70/32/69/590703269.db2.gz FSJHGGZINLBICX-SJORKVTESA-N 2 1 349.479 1.212 20 0 EDADMP C[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)[C@H](C)[NH3+] ZINC000892144031 590820014 /nfs/dbraw/zinc/82/00/14/590820014.db2.gz GXIOWDBSJBCANA-JHDROBOHSA-N 2 1 330.476 1.886 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cccc3c2OCC3)CC1 ZINC000892175027 590845175 /nfs/dbraw/zinc/84/51/75/590845175.db2.gz IDYBXHQIKPXSCO-KRWDZBQOSA-N 2 1 329.444 1.360 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892214003 590867681 /nfs/dbraw/zinc/86/76/81/590867681.db2.gz LYBABIMEVHGSJD-UHFFFAOYSA-N 2 1 339.509 1.647 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232939 590877725 /nfs/dbraw/zinc/87/77/25/590877725.db2.gz QJPSBZBDSAZWQG-FQUUOJAGSA-N 2 1 348.438 1.028 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232939 590877727 /nfs/dbraw/zinc/87/77/27/590877727.db2.gz QJPSBZBDSAZWQG-FQUUOJAGSA-N 2 1 348.438 1.028 20 0 EDADMP C[NH+]1CCC(CNc2cc[nH+]c(NCC3CC[NH+](C)CC3)n2)CC1 ZINC000892258188 590890658 /nfs/dbraw/zinc/89/06/58/590890658.db2.gz QGNNJBAWEMKAOB-UHFFFAOYSA-N 3 1 332.496 1.984 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000892479819 591041887 /nfs/dbraw/zinc/04/18/87/591041887.db2.gz PNJQUEOBTHVRLO-IAGOWNOFSA-N 2 1 346.475 1.473 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892491402 591047986 /nfs/dbraw/zinc/04/79/86/591047986.db2.gz JLZSPMXXJIATNQ-HZPDHXFCSA-N 2 1 339.528 1.090 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)N(C)CCCCCC[NH3+])CC1 ZINC000891340709 591050545 /nfs/dbraw/zinc/05/05/45/591050545.db2.gz UDQMLXUQVJXLPG-UHFFFAOYSA-N 2 1 327.517 1.173 20 0 EDADMP [NH3+][C@H]1CCCCCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000891346625 591052357 /nfs/dbraw/zinc/05/23/57/591052357.db2.gz AKXDCAKUNJCDBS-SFHVURJKSA-N 2 1 330.476 1.958 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[NH2+]C[C@H]1c1ccc(OC)cc1)C1CC1 ZINC000891480637 591086644 /nfs/dbraw/zinc/08/66/44/591086644.db2.gz FIDLSOKPIFYMDO-SFHVURJKSA-N 2 1 346.475 1.835 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1cccs1 ZINC000891510188 591099063 /nfs/dbraw/zinc/09/90/63/591099063.db2.gz WARUVVWPKKICOM-JJRVBVJISA-N 2 1 336.505 1.944 20 0 EDADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000891513917 591101059 /nfs/dbraw/zinc/10/10/59/591101059.db2.gz JSKPDBPEJFYVIA-RDTXWAMCSA-N 2 1 346.475 1.834 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891536578 591113701 /nfs/dbraw/zinc/11/37/01/591113701.db2.gz VQWFLDXHLNIYHC-KGYLQXTDSA-N 2 1 347.385 1.606 20 0 EDADMP C[C@@H](CNC(=O)NCc1cc(N)cc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000891539077 591113717 /nfs/dbraw/zinc/11/37/17/591113717.db2.gz ZIJVDLIUQJXNNE-AWEZNQCLSA-N 2 1 327.432 1.984 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000892687845 591130966 /nfs/dbraw/zinc/13/09/66/591130966.db2.gz YFPBSRNKMFPJGL-IRXDYDNUSA-N 2 1 338.496 1.365 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCC1(C)C ZINC000892759608 591164973 /nfs/dbraw/zinc/16/49/73/591164973.db2.gz KEZMXTSJWRDZJO-HNNXBMFYSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000891728152 591201317 /nfs/dbraw/zinc/20/13/17/591201317.db2.gz LCFFSKVIMWCLKW-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000891728152 591201319 /nfs/dbraw/zinc/20/13/19/591201319.db2.gz LCFFSKVIMWCLKW-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000891728152 591201320 /nfs/dbraw/zinc/20/13/20/591201320.db2.gz LCFFSKVIMWCLKW-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000894163865 591213251 /nfs/dbraw/zinc/21/32/51/591213251.db2.gz JPTBVIBKVUIZNW-INIZCTEOSA-N 2 1 328.501 1.376 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892938964 591231337 /nfs/dbraw/zinc/23/13/37/591231337.db2.gz VNIXCUSAULPFAU-IRXDYDNUSA-N 2 1 343.487 1.483 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000892943107 591232766 /nfs/dbraw/zinc/23/27/66/591232766.db2.gz DHWIUIMOSJQIPX-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000894234514 591239933 /nfs/dbraw/zinc/23/99/33/591239933.db2.gz UAMGQDCOJZUEGE-OQIJWPOYSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000894234514 591239935 /nfs/dbraw/zinc/23/99/35/591239935.db2.gz UAMGQDCOJZUEGE-OQIJWPOYSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000894234514 591239938 /nfs/dbraw/zinc/23/99/38/591239938.db2.gz UAMGQDCOJZUEGE-OQIJWPOYSA-N 2 1 342.487 1.852 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000895656197 591241815 /nfs/dbraw/zinc/24/18/15/591241815.db2.gz YDRBIRLYDBSYKS-XHSDSOJGSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000895656197 591241816 /nfs/dbraw/zinc/24/18/16/591241816.db2.gz YDRBIRLYDBSYKS-XHSDSOJGSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000895656197 591241819 /nfs/dbraw/zinc/24/18/19/591241819.db2.gz YDRBIRLYDBSYKS-XHSDSOJGSA-N 2 1 338.496 1.100 20 0 EDADMP CCn1cc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000893031720 591260369 /nfs/dbraw/zinc/26/03/69/591260369.db2.gz VWPYKWVBCAXEJE-LJQANCHMSA-N 2 1 328.460 1.938 20 0 EDADMP CCn1cc(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c(C)n1 ZINC000893031720 591260370 /nfs/dbraw/zinc/26/03/70/591260370.db2.gz VWPYKWVBCAXEJE-LJQANCHMSA-N 2 1 328.460 1.938 20 0 EDADMP CC1(C)CC[N@@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000895851819 591287786 /nfs/dbraw/zinc/28/77/86/591287786.db2.gz WRKXIUKYFALXKV-INIZCTEOSA-N 2 1 338.496 1.271 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2COCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000894457188 591316342 /nfs/dbraw/zinc/31/63/42/591316342.db2.gz VHDYAHHASQVGIM-CVEARBPZSA-N 2 1 341.496 1.942 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2COCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000894457188 591316345 /nfs/dbraw/zinc/31/63/45/591316345.db2.gz VHDYAHHASQVGIM-CVEARBPZSA-N 2 1 341.496 1.942 20 0 EDADMP CN(Cc1cnn(C)c1C1CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894459891 591318458 /nfs/dbraw/zinc/31/84/58/591318458.db2.gz RFNQTOQDOLFSEN-SFHVURJKSA-N 2 1 331.508 1.898 20 0 EDADMP Cn1ncc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1C1CC1 ZINC000894459891 591318461 /nfs/dbraw/zinc/31/84/61/591318461.db2.gz RFNQTOQDOLFSEN-SFHVURJKSA-N 2 1 331.508 1.898 20 0 EDADMP Cn1ncc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1C1CC1 ZINC000894459891 591318464 /nfs/dbraw/zinc/31/84/64/591318464.db2.gz RFNQTOQDOLFSEN-SFHVURJKSA-N 2 1 331.508 1.898 20 0 EDADMP C[N@@H+](Cc1cn2ccnc2s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894460279 591318487 /nfs/dbraw/zinc/31/84/87/591318487.db2.gz VBVBNFRYDZPNFL-OAHLLOKOSA-N 2 1 333.505 1.996 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000897466446 591467783 /nfs/dbraw/zinc/46/77/83/591467783.db2.gz UQKBUZQJCFBIAD-IAGOWNOFSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[C@H]1C[NH+](C)CCN1C ZINC000896541779 591505834 /nfs/dbraw/zinc/50/58/34/591505834.db2.gz IDDNXFOKEYGBTG-CGTJXYLNSA-N 2 1 336.524 1.534 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)[C@H]1C[N@H+](C)CCN1C ZINC000896541779 591505838 /nfs/dbraw/zinc/50/58/38/591505838.db2.gz IDDNXFOKEYGBTG-CGTJXYLNSA-N 2 1 336.524 1.534 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896541779 591505841 /nfs/dbraw/zinc/50/58/41/591505841.db2.gz IDDNXFOKEYGBTG-CGTJXYLNSA-N 2 1 336.524 1.534 20 0 EDADMP NC(=O)[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1c1ccccc1 ZINC000895005584 591516249 /nfs/dbraw/zinc/51/62/49/591516249.db2.gz NZWHIYJNJRPREP-RBUKOAKNSA-N 2 1 347.422 1.968 20 0 EDADMP NC(=O)[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1c1ccccc1 ZINC000895005584 591516252 /nfs/dbraw/zinc/51/62/52/591516252.db2.gz NZWHIYJNJRPREP-RBUKOAKNSA-N 2 1 347.422 1.968 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CCCC[NH+](C)C2)CC[N@H+]1CC(C)(C)O ZINC000897554126 591550953 /nfs/dbraw/zinc/55/09/53/591550953.db2.gz OJIKSEQKRFECPG-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000897554126 591550954 /nfs/dbraw/zinc/55/09/54/591550954.db2.gz OJIKSEQKRFECPG-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000897554126 591550956 /nfs/dbraw/zinc/55/09/56/591550956.db2.gz OJIKSEQKRFECPG-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH+]1C[C@H]2CCN(C(=O)NC[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)[C@@H]2C1 ZINC000897592337 591573377 /nfs/dbraw/zinc/57/33/77/591573377.db2.gz UXAZOSZZUXAWES-AKHDSKFASA-N 2 1 342.487 1.677 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)[C@H](c2ccccc2)C1 ZINC000897592337 591573381 /nfs/dbraw/zinc/57/33/81/591573381.db2.gz UXAZOSZZUXAWES-AKHDSKFASA-N 2 1 342.487 1.677 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)[C@H](c2ccccc2)C1 ZINC000897592337 591573385 /nfs/dbraw/zinc/57/33/85/591573385.db2.gz UXAZOSZZUXAWES-AKHDSKFASA-N 2 1 342.487 1.677 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896749808 591602620 /nfs/dbraw/zinc/60/26/20/591602620.db2.gz XZQCAHHYPORSJM-MRXNPFEDSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)CC[NH+]1CCC([NH2+]CCS(=O)(=O)N2CCCC2)CC1 ZINC000897826206 591684799 /nfs/dbraw/zinc/68/47/99/591684799.db2.gz GAJXQZHXSZYACQ-UHFFFAOYSA-N 2 1 331.526 1.512 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895602893 591815107 /nfs/dbraw/zinc/81/51/07/591815107.db2.gz FSIOPNOEJGNQBD-HRCADAONSA-N 2 1 342.528 1.713 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895602893 591815111 /nfs/dbraw/zinc/81/51/11/591815111.db2.gz FSIOPNOEJGNQBD-HRCADAONSA-N 2 1 342.528 1.713 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000900020905 591871611 /nfs/dbraw/zinc/87/16/11/591871611.db2.gz VXTBGCXAKYXZFA-MJGOQNOKSA-N 2 1 331.460 1.354 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)[C@H](C)C1 ZINC000898367022 591892601 /nfs/dbraw/zinc/89/26/01/591892601.db2.gz KGLLKUAGPOVLQM-UPJWGTAASA-N 2 1 339.871 1.734 20 0 EDADMP O=c1[nH]ncc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1Cl ZINC000898368949 591893967 /nfs/dbraw/zinc/89/39/67/591893967.db2.gz RLWNSCHMXSJPGZ-GFCCVEGCSA-N 2 1 337.855 1.631 20 0 EDADMP CCn1cnc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000902138339 591920124 /nfs/dbraw/zinc/92/01/24/591920124.db2.gz JPWSILVWVIIAHG-UHFFFAOYSA-N 2 1 328.464 1.600 20 0 EDADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900240388 591952048 /nfs/dbraw/zinc/95/20/48/591952048.db2.gz KGLYPEBISBLSQB-JYSRZZCRSA-N 2 1 335.492 1.620 20 0 EDADMP CCCn1ccnc1CCC[N@H+](C)CN1C[C@]2(CCCOC2)C1=O ZINC000902237215 591952542 /nfs/dbraw/zinc/95/25/42/591952542.db2.gz GTBUHFWRGFJOPE-SFHVURJKSA-N 2 1 334.464 1.754 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C1([NH3+])CC1 ZINC000902353229 591985454 /nfs/dbraw/zinc/98/54/54/591985454.db2.gz XPOJARSHFKNBNU-RBSFLKMASA-N 2 1 331.460 1.905 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000900327463 591991517 /nfs/dbraw/zinc/99/15/17/591991517.db2.gz ZFCVJSWAZSRLQO-IEBWSBKVSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000900327463 591991519 /nfs/dbraw/zinc/99/15/19/591991519.db2.gz ZFCVJSWAZSRLQO-IEBWSBKVSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000900327463 591991520 /nfs/dbraw/zinc/99/15/20/591991520.db2.gz ZFCVJSWAZSRLQO-IEBWSBKVSA-N 2 1 337.508 1.556 20 0 EDADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900530698 592048485 /nfs/dbraw/zinc/04/84/85/592048485.db2.gz ZULBVZCWALURBG-MJGOQNOKSA-N 2 1 333.476 1.552 20 0 EDADMP [NH2+]=C(NOCCc1c(F)cccc1F)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902806178 592062897 /nfs/dbraw/zinc/06/28/97/592062897.db2.gz NKARFBCAGARCSA-XHDPSFHLSA-N 2 1 325.359 1.869 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC000900622083 592074039 /nfs/dbraw/zinc/07/40/39/592074039.db2.gz AWGJBCIUIJCKDQ-INIZCTEOSA-N 2 1 330.432 1.741 20 0 EDADMP C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900663548 592084976 /nfs/dbraw/zinc/08/49/76/592084976.db2.gz UJAFBUYGMQMSER-XLIONFOSSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900663548 592084978 /nfs/dbraw/zinc/08/49/78/592084978.db2.gz UJAFBUYGMQMSER-XLIONFOSSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900663548 592084980 /nfs/dbraw/zinc/08/49/80/592084980.db2.gz UJAFBUYGMQMSER-XLIONFOSSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900663548 592084984 /nfs/dbraw/zinc/08/49/84/592084984.db2.gz UJAFBUYGMQMSER-XLIONFOSSA-N 2 1 345.487 1.566 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000900726120 592105863 /nfs/dbraw/zinc/10/58/63/592105863.db2.gz RPLJWRMZYDHOTH-HOTGVXAUSA-N 2 1 339.480 1.062 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000900726120 592105865 /nfs/dbraw/zinc/10/58/65/592105865.db2.gz RPLJWRMZYDHOTH-HOTGVXAUSA-N 2 1 339.480 1.062 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000900726120 592105868 /nfs/dbraw/zinc/10/58/68/592105868.db2.gz RPLJWRMZYDHOTH-HOTGVXAUSA-N 2 1 339.480 1.062 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000900726120 592105871 /nfs/dbraw/zinc/10/58/71/592105871.db2.gz RPLJWRMZYDHOTH-HOTGVXAUSA-N 2 1 339.480 1.062 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900733421 592111884 /nfs/dbraw/zinc/11/18/84/592111884.db2.gz DSEKLFPKSUZXNO-BPAFIMBUSA-N 2 1 345.487 1.783 20 0 EDADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000903116863 592123711 /nfs/dbraw/zinc/12/37/11/592123711.db2.gz JSGBVLAOCVUGDH-CFRSGVNKSA-N 2 1 339.524 1.703 20 0 EDADMP C[C@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)[C@@H]1C[NH+](C)CCN1C ZINC000900811675 592133102 /nfs/dbraw/zinc/13/31/02/592133102.db2.gz MYEOLTBHGSVPLA-LPHOPBHVSA-N 2 1 344.503 1.185 20 0 EDADMP C[C@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@@H]1C[N@H+](C)CCN1C ZINC000900811675 592133105 /nfs/dbraw/zinc/13/31/05/592133105.db2.gz MYEOLTBHGSVPLA-LPHOPBHVSA-N 2 1 344.503 1.185 20 0 EDADMP C[C@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900811675 592133106 /nfs/dbraw/zinc/13/31/06/592133106.db2.gz MYEOLTBHGSVPLA-LPHOPBHVSA-N 2 1 344.503 1.185 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000903277509 592150297 /nfs/dbraw/zinc/15/02/97/592150297.db2.gz ATVZXHOJSJNXDB-YSIASYRMSA-N 2 1 347.503 1.180 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCOCCN1C(=O)c2ccccc2C1=O ZINC000903454766 592174081 /nfs/dbraw/zinc/17/40/81/592174081.db2.gz IYMUBYGLFBRMTI-JKIFEVAISA-N 2 1 345.443 1.275 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H]1CCN(C3CCCCC3)C1=O)C2 ZINC000903495100 592186681 /nfs/dbraw/zinc/18/66/81/592186681.db2.gz VFRITIOPCFBDMJ-ZDXGLAPJSA-N 2 1 349.475 1.132 20 0 EDADMP C[C@@H](C(=O)N1CCC(C)CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510811 592190705 /nfs/dbraw/zinc/19/07/05/592190705.db2.gz KTUUGEKGIMTPFT-YTQUADARSA-N 2 1 348.535 1.534 20 0 EDADMP CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000900995388 592200061 /nfs/dbraw/zinc/20/00/61/592200061.db2.gz LONSKCKYQJKXPR-RBSFLKMASA-N 2 1 337.464 1.003 20 0 EDADMP COc1cc2c(cc1OC)C[N@@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903718865 592280233 /nfs/dbraw/zinc/28/02/33/592280233.db2.gz SLTVKJWZPHDORL-APWZRJJASA-N 2 1 332.444 1.831 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903721902 592283091 /nfs/dbraw/zinc/28/30/91/592283091.db2.gz GACSXBMPGFIQGV-MJQMVNBJSA-N 2 1 337.508 1.772 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903726050 592285149 /nfs/dbraw/zinc/28/51/49/592285149.db2.gz JWHSXBKCIMXHKR-FAJBIJEISA-N 2 1 337.508 1.772 20 0 EDADMP CCN1C[C@H](C[N@@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)Oc2ccccc21 ZINC000903731964 592288070 /nfs/dbraw/zinc/28/80/70/592288070.db2.gz BKQALJSWPZHXSS-ABSDTBQOSA-N 2 1 345.487 1.974 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904596096 592292742 /nfs/dbraw/zinc/29/27/42/592292742.db2.gz FFPPFEXLONFUKL-UHFFFAOYSA-N 2 1 335.496 1.885 20 0 EDADMP CN(CCCNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)CC[NH+](C)C ZINC000904596096 592292745 /nfs/dbraw/zinc/29/27/45/592292745.db2.gz FFPPFEXLONFUKL-UHFFFAOYSA-N 2 1 335.496 1.885 20 0 EDADMP CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903753863 592300025 /nfs/dbraw/zinc/30/00/25/592300025.db2.gz ZGGJXJSQRXUMEO-CABCVRRESA-N 2 1 325.453 1.356 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1C[NH3+] ZINC000904637705 592300643 /nfs/dbraw/zinc/30/06/43/592300643.db2.gz VHGIRKRNPBJRRL-CQSZACIVSA-N 2 1 332.448 1.862 20 0 EDADMP CCC[C@@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000903755412 592313238 /nfs/dbraw/zinc/31/32/38/592313238.db2.gz GTZVNZJGTYXGKY-MSOLQXFVSA-N 2 1 339.524 1.578 20 0 EDADMP CCC[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1CCOC ZINC000903755412 592313240 /nfs/dbraw/zinc/31/32/40/592313240.db2.gz GTZVNZJGTYXGKY-MSOLQXFVSA-N 2 1 339.524 1.578 20 0 EDADMP CCC[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1CCOC ZINC000903755412 592313244 /nfs/dbraw/zinc/31/32/44/592313244.db2.gz GTZVNZJGTYXGKY-MSOLQXFVSA-N 2 1 339.524 1.578 20 0 EDADMP COCC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)CC1CC[NH+](C)CC1 ZINC000903775062 592318156 /nfs/dbraw/zinc/31/81/56/592318156.db2.gz GUITWFRUHBAEAV-ZWKOTPCHSA-N 3 1 325.497 1.045 20 0 EDADMP CC(C)CC(=O)N1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903780501 592320600 /nfs/dbraw/zinc/32/06/00/592320600.db2.gz HRGIJAGIXNVVGI-KRWDZBQOSA-N 2 1 337.508 1.726 20 0 EDADMP C(C1CCOCC1)[C@H]1COCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903849610 592344869 /nfs/dbraw/zinc/34/48/69/592344869.db2.gz DZTIEFSUDQIQST-ZWKOTPCHSA-N 2 1 338.492 1.663 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1)N1CCCC1 ZINC000903892669 592366155 /nfs/dbraw/zinc/36/61/55/592366155.db2.gz LDUCBUXYBLWUEA-CVEARBPZSA-N 2 1 346.479 1.037 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+]C[C@](C)(O)C(F)F)[C@H](c2ccccc2)C1 ZINC000905033146 592372091 /nfs/dbraw/zinc/37/20/91/592372091.db2.gz CIKVZYIQFJCCRJ-WMZOPIPTSA-N 2 1 341.446 1.971 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](Cc3ccncc3)C2)cnn1C ZINC000903908298 592374246 /nfs/dbraw/zinc/37/42/46/592374246.db2.gz GHJACAGJZXPSKP-QZTJIDSGSA-N 2 1 327.476 1.806 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[NH2+]C[C@H](c2ccccc2)N(C)C)cnn1C ZINC000903925285 592379697 /nfs/dbraw/zinc/37/96/97/592379697.db2.gz DHTWVPQJUYANAN-QFBILLFUSA-N 2 1 329.492 1.738 20 0 EDADMP CCn1nc(C)c(C[N@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)c1C ZINC000903933929 592385934 /nfs/dbraw/zinc/38/59/34/592385934.db2.gz BESLKOZYFSSSJP-INIZCTEOSA-N 2 1 332.496 1.811 20 0 EDADMP CCn1nc(C)c(C[N@@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)c1C ZINC000903933929 592385937 /nfs/dbraw/zinc/38/59/37/592385937.db2.gz BESLKOZYFSSSJP-INIZCTEOSA-N 2 1 332.496 1.811 20 0 EDADMP COC(=O)[C@]12C[N@@H+](Cc3cccc4c3CC[NH2+]C4)C[C@H]1COCC2 ZINC000903917458 592390264 /nfs/dbraw/zinc/39/02/64/592390264.db2.gz LYDAKBTUUPRONC-QFBILLFUSA-N 2 1 330.428 1.344 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917498 592390387 /nfs/dbraw/zinc/39/03/87/592390387.db2.gz MNOXBSBZMQEGCB-KURKYZTESA-N 3 1 333.524 1.558 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)CC1 ZINC000908290056 592433543 /nfs/dbraw/zinc/43/35/43/592433543.db2.gz CIXZIMOGJVMNIG-MSOLQXFVSA-N 2 1 336.524 1.203 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)CC1 ZINC000908290056 592433547 /nfs/dbraw/zinc/43/35/47/592433547.db2.gz CIXZIMOGJVMNIG-MSOLQXFVSA-N 2 1 336.524 1.203 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)CC1 ZINC000908290056 592433551 /nfs/dbraw/zinc/43/35/51/592433551.db2.gz CIXZIMOGJVMNIG-MSOLQXFVSA-N 2 1 336.524 1.203 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000905151403 592440598 /nfs/dbraw/zinc/44/05/98/592440598.db2.gz AODBBLBPGGLEJL-NEWSRXKRSA-N 2 1 348.487 1.532 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000905151403 592440600 /nfs/dbraw/zinc/44/06/00/592440600.db2.gz AODBBLBPGGLEJL-NEWSRXKRSA-N 2 1 348.487 1.532 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)CCOCc2ccccc2)CC1(C)C ZINC000905246860 592476005 /nfs/dbraw/zinc/47/60/05/592476005.db2.gz JIONOHKTHBUBQK-IBGZPJMESA-N 2 1 349.519 1.570 20 0 EDADMP O[C@]1(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CC[N@H+](Cc2ccccc2)C1 ZINC000905566945 592568457 /nfs/dbraw/zinc/56/84/57/592568457.db2.gz AZCCSNXQTNUOIL-YRPNKDGESA-N 2 1 328.456 1.804 20 0 EDADMP O[C@]1(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000905566945 592568459 /nfs/dbraw/zinc/56/84/59/592568459.db2.gz AZCCSNXQTNUOIL-YRPNKDGESA-N 2 1 328.456 1.804 20 0 EDADMP O[C@]1(CNCc2ccc3nonc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905667870 592601928 /nfs/dbraw/zinc/60/19/28/592601928.db2.gz FJGBYGZHCYZBRR-IBGZPJMESA-N 2 1 338.411 1.949 20 0 EDADMP Cc1nc2nc(C)cc(N3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)n2n1 ZINC000905701575 592614391 /nfs/dbraw/zinc/61/43/91/592614391.db2.gz OOKNKQSRWBSLJX-IYBDPMFKSA-N 2 1 341.463 1.146 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)nn2)CC1 ZINC000905832202 592649735 /nfs/dbraw/zinc/64/97/35/592649735.db2.gz CADFWKZLMUVLNH-SHHSBJBSSA-N 2 1 325.407 1.535 20 0 EDADMP Cc1cc(N2CCC[C@@H]([NH2+]C[C@H](O)CCC3(O)CCC3)C2)nc(C)[nH+]1 ZINC000905931294 592687672 /nfs/dbraw/zinc/68/76/72/592687672.db2.gz LCKCERDNQZSLFA-IAGOWNOFSA-N 2 1 348.491 1.708 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1(O)CCCC1 ZINC000905910125 592691158 /nfs/dbraw/zinc/69/11/58/592691158.db2.gz UNJMXRNMFYTJFI-LJQANCHMSA-N 2 1 332.488 1.949 20 0 EDADMP Cc1cc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)ccc1OCC[NH+](C)C ZINC000909920516 592713584 /nfs/dbraw/zinc/71/35/84/592713584.db2.gz MSNRUBUOSFBPRC-YJBOKZPZSA-N 2 1 335.448 1.329 20 0 EDADMP Cc1cc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)ccc1OCC[NH+](C)C ZINC000909920516 592713586 /nfs/dbraw/zinc/71/35/86/592713586.db2.gz MSNRUBUOSFBPRC-YJBOKZPZSA-N 2 1 335.448 1.329 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000906220211 592761112 /nfs/dbraw/zinc/76/11/12/592761112.db2.gz YZRBIUNTZULEDZ-SFHVURJKSA-N 2 1 337.508 1.679 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000910447048 592865062 /nfs/dbraw/zinc/86/50/62/592865062.db2.gz SOCKNPZFJWAXKU-YLJYHZDGSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000910447048 592865063 /nfs/dbraw/zinc/86/50/63/592865063.db2.gz SOCKNPZFJWAXKU-YLJYHZDGSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000910447048 592865064 /nfs/dbraw/zinc/86/50/64/592865064.db2.gz SOCKNPZFJWAXKU-YLJYHZDGSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000910447048 592865065 /nfs/dbraw/zinc/86/50/65/592865065.db2.gz SOCKNPZFJWAXKU-YLJYHZDGSA-N 2 1 345.487 1.566 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000910870145 592898581 /nfs/dbraw/zinc/89/85/81/592898581.db2.gz OZPDTLGCEHMOGU-UHFFFAOYSA-N 2 1 344.459 1.889 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911673014 592978947 /nfs/dbraw/zinc/97/89/47/592978947.db2.gz IVJJABMZWYZEKC-ZWNOBZJWSA-N 2 1 342.237 1.326 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CCCC[N@H+]2C)C1 ZINC000911748474 592996814 /nfs/dbraw/zinc/99/68/14/592996814.db2.gz NINOQWJVNDPOOY-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP Cc1n[nH]c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C(F)(F)F ZINC000912302522 593084439 /nfs/dbraw/zinc/08/44/39/593084439.db2.gz DEZGAFDEMODELN-JTQLQIEISA-N 2 1 349.401 1.739 20 0 EDADMP Cc1n[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C(F)(F)F ZINC000912302522 593084440 /nfs/dbraw/zinc/08/44/40/593084440.db2.gz DEZGAFDEMODELN-JTQLQIEISA-N 2 1 349.401 1.739 20 0 EDADMP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000912583321 593106201 /nfs/dbraw/zinc/10/62/01/593106201.db2.gz DHROHEIBCCGHTG-IRXDYDNUSA-N 2 1 337.508 1.602 20 0 EDADMP Cc1cc(NC(=O)CC[NH+]2CCOCC2)ccc1OCC[NH+](C)C ZINC000838178316 593137119 /nfs/dbraw/zinc/13/71/19/593137119.db2.gz RNNRHLWYFFBHTR-UHFFFAOYSA-N 2 1 335.448 1.596 20 0 EDADMP Cn1cc([C@@H]2N(C[NH+]3CCC(C[NH+](C)C)CC3)C(=O)C2(C)C)cn1 ZINC000808160923 593231152 /nfs/dbraw/zinc/23/11/52/593231152.db2.gz TUGFKHMBSZWTPF-INIZCTEOSA-N 2 1 333.480 1.561 20 0 EDADMP CCC[C@]1(C2CC2)NC(=O)N(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1=O ZINC000802734009 593273897 /nfs/dbraw/zinc/27/38/97/593273897.db2.gz OAYYZGSUHJHBKC-IDHHARJASA-N 2 1 348.491 1.861 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@H](CC(C)(C)C)C1)C2=O ZINC000840150158 593297666 /nfs/dbraw/zinc/29/76/66/593297666.db2.gz QJKRQXHHNCYXPR-CQSZACIVSA-N 2 1 336.480 1.718 20 0 EDADMP CC[C@]1(C2CC2)NC(=O)N(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1=O ZINC000758236729 593397813 /nfs/dbraw/zinc/39/78/13/593397813.db2.gz FVFVFPSIUBNWBA-DHSIGJKJSA-N 2 1 334.464 1.471 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810434204 593401549 /nfs/dbraw/zinc/40/15/49/593401549.db2.gz WHBHXEHAZYSOOW-MAUKXSAKSA-N 2 1 343.487 1.768 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815615967 593644365 /nfs/dbraw/zinc/64/43/65/593644365.db2.gz CDDZLUBRERGHAB-KSSFIOAISA-N 2 1 333.432 1.751 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815615967 593644366 /nfs/dbraw/zinc/64/43/66/593644366.db2.gz CDDZLUBRERGHAB-KSSFIOAISA-N 2 1 333.432 1.751 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@@](O)(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000818167226 593676824 /nfs/dbraw/zinc/67/68/24/593676824.db2.gz RPDVWFKBHKJLAQ-DAYGRLMNSA-N 2 1 339.480 1.290 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CSCCS1 ZINC000819141906 593741149 /nfs/dbraw/zinc/74/11/49/593741149.db2.gz LWQUDWFPRUDTMR-CVEARBPZSA-N 2 1 326.531 1.918 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CSCCS1 ZINC000819141906 593741150 /nfs/dbraw/zinc/74/11/50/593741150.db2.gz LWQUDWFPRUDTMR-CVEARBPZSA-N 2 1 326.531 1.918 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625057 593885809 /nfs/dbraw/zinc/88/58/09/593885809.db2.gz DXACTUVPDJLVCB-LRDDRELGSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625057 593885811 /nfs/dbraw/zinc/88/58/11/593885811.db2.gz DXACTUVPDJLVCB-LRDDRELGSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625057 593885813 /nfs/dbraw/zinc/88/58/13/593885813.db2.gz DXACTUVPDJLVCB-LRDDRELGSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625057 593885814 /nfs/dbraw/zinc/88/58/14/593885814.db2.gz DXACTUVPDJLVCB-LRDDRELGSA-N 2 1 330.411 1.922 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189290 593986116 /nfs/dbraw/zinc/98/61/16/593986116.db2.gz KLDGZGGRJRHETD-WMLDXEAASA-N 2 1 344.463 1.564 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189290 593986117 /nfs/dbraw/zinc/98/61/17/593986117.db2.gz KLDGZGGRJRHETD-WMLDXEAASA-N 2 1 344.463 1.564 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NCc2ccc(-c3nn[nH]n3)o2)[C@H](C)C1 ZINC000821377806 594032182 /nfs/dbraw/zinc/03/21/82/594032182.db2.gz DRJLEKQIHPDCEY-HIFRSBDPSA-N 2 1 348.451 1.686 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NCc2ccc(-c3nn[nH]n3)o2)[C@H](C)C1 ZINC000821377807 594032551 /nfs/dbraw/zinc/03/25/51/594032551.db2.gz DRJLEKQIHPDCEY-UKRRQHHQSA-N 2 1 348.451 1.686 20 0 EDADMP Cc1nn(CC(F)F)cc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000824817781 594079468 /nfs/dbraw/zinc/07/94/68/594079468.db2.gz AYXAUDVRTLJXGB-LBPRGKRZSA-N 2 1 345.438 1.458 20 0 EDADMP Cc1nn(CC(F)F)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000824817781 594079470 /nfs/dbraw/zinc/07/94/70/594079470.db2.gz AYXAUDVRTLJXGB-LBPRGKRZSA-N 2 1 345.438 1.458 20 0 EDADMP Cn1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(Cl)n1 ZINC000822720388 594091487 /nfs/dbraw/zinc/09/14/87/594091487.db2.gz CZGWZVLGJQNBAE-UHFFFAOYSA-N 2 1 334.811 1.473 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[C@@H]1C ZINC000825803340 594250279 /nfs/dbraw/zinc/25/02/79/594250279.db2.gz SUWWSIAPRQIERY-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H]1C ZINC000825803340 594250282 /nfs/dbraw/zinc/25/02/82/594250282.db2.gz SUWWSIAPRQIERY-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H]1C ZINC000825803340 594250284 /nfs/dbraw/zinc/25/02/84/594250284.db2.gz SUWWSIAPRQIERY-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP CC[NH+]1CCC(CNC(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000826080133 594326779 /nfs/dbraw/zinc/32/67/79/594326779.db2.gz SNKBYPUZXOOFAD-IYBDPMFKSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000826678766 594552964 /nfs/dbraw/zinc/55/29/64/594552964.db2.gz ITJOBRFOROTUGZ-DLBZAZTESA-N 2 1 337.508 1.961 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCCCCCC[NH3+])C[C@@H](C)O1 ZINC000831093979 594554715 /nfs/dbraw/zinc/55/47/15/594554715.db2.gz HGFRLQBDABUZJN-HUUCEWRRSA-N 2 1 328.501 1.693 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000831217526 594583944 /nfs/dbraw/zinc/58/39/44/594583944.db2.gz ABXWKNWFUVLPOW-BXWFABGCSA-N 2 1 348.491 1.391 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCCCCC[NH3+])C[C@@H](C)O1 ZINC000831264188 594594412 /nfs/dbraw/zinc/59/44/12/594594412.db2.gz WSGWCWMCTBFOKW-ZACQAIPSSA-N 2 1 340.512 1.789 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCCCCC[NH3+] ZINC000831263170 594594682 /nfs/dbraw/zinc/59/46/82/594594682.db2.gz CYAWBFPFBVYTKS-UHFFFAOYSA-N 2 1 327.517 1.173 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCCCCC[NH3+] ZINC000831263170 594594683 /nfs/dbraw/zinc/59/46/83/594594683.db2.gz CYAWBFPFBVYTKS-UHFFFAOYSA-N 2 1 327.517 1.173 20 0 EDADMP CCO[C@H](CNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+](C)C ZINC000831757064 594699943 /nfs/dbraw/zinc/69/99/43/594699943.db2.gz NBMZUBNVEYIQRT-YYIAUSFCSA-N 2 1 343.512 1.203 20 0 EDADMP CCO[C@H](CNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+](C)C ZINC000831757064 594699944 /nfs/dbraw/zinc/69/99/44/594699944.db2.gz NBMZUBNVEYIQRT-YYIAUSFCSA-N 2 1 343.512 1.203 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@]1(F)CC[NH2+]C1 ZINC000832054563 594722584 /nfs/dbraw/zinc/72/25/84/594722584.db2.gz ORPZKNOMKJBFHN-SJLPKXTDSA-N 2 1 335.423 1.095 20 0 EDADMP Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)nn1 ZINC000840874215 594823237 /nfs/dbraw/zinc/82/32/37/594823237.db2.gz XLQBNNPBHVCSBS-INIZCTEOSA-N 2 1 331.489 1.925 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000841722421 594943625 /nfs/dbraw/zinc/94/36/25/594943625.db2.gz NSGKAJISHXCHGD-JKSUJKDBSA-N 2 1 342.447 1.892 20 0 EDADMP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000841790282 594953509 /nfs/dbraw/zinc/95/35/09/594953509.db2.gz BNCFFYQQAKNNBS-SJORKVTESA-N 2 1 332.448 1.020 20 0 EDADMP C[C@]1(CNC(=O)NCC(F)(F)C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000841899097 594977021 /nfs/dbraw/zinc/97/70/21/594977021.db2.gz SLUBHPBWQYNGEI-MRXNPFEDSA-N 2 1 340.418 1.792 20 0 EDADMP C[C@]1(CNC(=O)NCC(F)(F)C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000841899097 594977022 /nfs/dbraw/zinc/97/70/22/594977022.db2.gz SLUBHPBWQYNGEI-MRXNPFEDSA-N 2 1 340.418 1.792 20 0 EDADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])CCN1c1nccn2cnnc12 ZINC000842476695 595115232 /nfs/dbraw/zinc/11/52/32/595115232.db2.gz SIRUGSPFCXFQIA-OAHLLOKOSA-N 2 1 331.468 1.544 20 0 EDADMP CC[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000843494034 595129831 /nfs/dbraw/zinc/12/98/31/595129831.db2.gz XNRDGXLGNRIEHL-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843494073 595129954 /nfs/dbraw/zinc/12/99/54/595129954.db2.gz IFWIYPCRSVDKRG-YTQUADARSA-N 2 1 345.487 1.782 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)CCO2 ZINC000844095432 595271148 /nfs/dbraw/zinc/27/11/48/595271148.db2.gz WJDUIBBPOWPFQL-SFHVURJKSA-N 2 1 341.471 1.522 20 0 EDADMP CC(C)[C@@H](C(=O)NCc1ccc(CC[NH3+])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000844165281 595288394 /nfs/dbraw/zinc/28/83/94/595288394.db2.gz YYKIBEHGPPJJIS-FCEWJHQRSA-N 2 1 347.503 1.938 20 0 EDADMP CC(C)[C@@H](C(=O)NCc1ccc(CC[NH3+])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000844165281 595288395 /nfs/dbraw/zinc/28/83/95/595288395.db2.gz YYKIBEHGPPJJIS-FCEWJHQRSA-N 2 1 347.503 1.938 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)c1ccccc1F)C2 ZINC000843111510 595289064 /nfs/dbraw/zinc/28/90/64/595289064.db2.gz FMMAUSSITYJEAB-ACJLOTCBSA-N 2 1 333.407 1.503 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)c1ccccc1C)C2 ZINC000843111938 595289275 /nfs/dbraw/zinc/28/92/75/595289275.db2.gz JQDOAIMLHZJAHL-KXBFYZLASA-N 2 1 329.444 1.673 20 0 EDADMP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000844168023 595289415 /nfs/dbraw/zinc/28/94/15/595289415.db2.gz XWDWHJLDSADJIW-SFHVURJKSA-N 2 1 331.460 1.142 20 0 EDADMP C[N@@H+]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000846695987 595303112 /nfs/dbraw/zinc/30/31/12/595303112.db2.gz HSSKHCSBLCGVIA-ROUUACIJSA-N 2 1 331.460 1.140 20 0 EDADMP C[N@H+]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000846695987 595303114 /nfs/dbraw/zinc/30/31/14/595303114.db2.gz HSSKHCSBLCGVIA-ROUUACIJSA-N 2 1 331.460 1.140 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cn1 ZINC000848408949 595375203 /nfs/dbraw/zinc/37/52/03/595375203.db2.gz HBWCECVZGDPWJE-QAPCUYQASA-N 2 1 325.416 1.582 20 0 EDADMP CC(C)(C)OC(=O)NC/C=C\C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848908020 595465966 /nfs/dbraw/zinc/46/59/66/595465966.db2.gz WOXFMSJXUNJGBW-AWFCHZOYSA-N 2 1 339.480 1.910 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)COc1c(C)cccc1C ZINC000849066386 595476866 /nfs/dbraw/zinc/47/68/66/595476866.db2.gz DPEMMTAOXIBPLX-IRXDYDNUSA-N 2 1 348.491 1.641 20 0 EDADMP C[C@H]1CN(C(=[NH2+])NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000849094313 595480713 /nfs/dbraw/zinc/48/07/13/595480713.db2.gz FDXQNSPSGXXZTC-WMZOPIPTSA-N 2 1 330.476 1.796 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](CO)C1CCCCC1 ZINC000849112683 595484002 /nfs/dbraw/zinc/48/40/02/595484002.db2.gz BTQRYJSDDYAXGU-MRXNPFEDSA-N 2 1 326.485 1.011 20 0 EDADMP COc1c(C)cnc(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1C ZINC000108568603 595519988 /nfs/dbraw/zinc/51/99/88/595519988.db2.gz OZXMSCHCLUTHPU-HNNXBMFYSA-N 2 1 332.448 1.991 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849486027 595548098 /nfs/dbraw/zinc/54/80/98/595548098.db2.gz DOMKBQWYWKPQQF-QZTJIDSGSA-N 2 1 347.507 1.446 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849505387 595553468 /nfs/dbraw/zinc/55/34/68/595553468.db2.gz INHVEXUHMDSVLD-IRXDYDNUSA-N 2 1 344.463 1.167 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849505387 595553470 /nfs/dbraw/zinc/55/34/70/595553470.db2.gz INHVEXUHMDSVLD-IRXDYDNUSA-N 2 1 344.463 1.167 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849505385 595553531 /nfs/dbraw/zinc/55/35/31/595553531.db2.gz INHVEXUHMDSVLD-DLBZAZTESA-N 2 1 344.463 1.167 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849505385 595553535 /nfs/dbraw/zinc/55/35/35/595553535.db2.gz INHVEXUHMDSVLD-DLBZAZTESA-N 2 1 344.463 1.167 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849541672 595560788 /nfs/dbraw/zinc/56/07/88/595560788.db2.gz QMJQPUSSKNZNAC-IAGOWNOFSA-N 2 1 335.496 1.302 20 0 EDADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849541672 595560790 /nfs/dbraw/zinc/56/07/90/595560790.db2.gz QMJQPUSSKNZNAC-IAGOWNOFSA-N 2 1 335.496 1.302 20 0 EDADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849541672 595560794 /nfs/dbraw/zinc/56/07/94/595560794.db2.gz QMJQPUSSKNZNAC-IAGOWNOFSA-N 2 1 335.496 1.302 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)cn1 ZINC000852858404 595580239 /nfs/dbraw/zinc/58/02/39/595580239.db2.gz BLDMCHIPKAUNPI-GFCCVEGCSA-N 2 1 337.387 1.628 20 0 EDADMP CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)[C@H](C)C1 ZINC000849594336 595585413 /nfs/dbraw/zinc/58/54/13/595585413.db2.gz WWOMLOLJKWFASG-OIISXLGYSA-N 2 1 333.480 1.008 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)[C@H](C)C1 ZINC000849594336 595585418 /nfs/dbraw/zinc/58/54/18/595585418.db2.gz WWOMLOLJKWFASG-OIISXLGYSA-N 2 1 333.480 1.008 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)[C@H](C)C1 ZINC000849594336 595585420 /nfs/dbraw/zinc/58/54/20/595585420.db2.gz WWOMLOLJKWFASG-OIISXLGYSA-N 2 1 333.480 1.008 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H](C)C[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849598340 595588214 /nfs/dbraw/zinc/58/82/14/595588214.db2.gz ZQBXXIKKNGSHFU-NJAFHUGGSA-N 2 1 349.523 1.548 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)C1 ZINC000852872658 595591545 /nfs/dbraw/zinc/59/15/45/595591545.db2.gz PTHIEVNNKMFTJW-XJKSGUPXSA-N 2 1 346.431 1.449 20 0 EDADMP [NH3+][C@@H](C(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccc(F)cc1F ZINC000852879937 595594953 /nfs/dbraw/zinc/59/49/53/595594953.db2.gz IIMFLNSKHNUYTK-IAGOWNOFSA-N 2 1 331.366 1.968 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[S@](C)=O)C2)ccn1 ZINC000856584915 596023091 /nfs/dbraw/zinc/02/30/91/596023091.db2.gz URFOFUXPVJHEPT-AOMKIAJQSA-N 2 1 325.478 1.365 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC[S@](C)=O)C2)ccn1 ZINC000856584915 596023094 /nfs/dbraw/zinc/02/30/94/596023094.db2.gz URFOFUXPVJHEPT-AOMKIAJQSA-N 2 1 325.478 1.365 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC[S@](C)=O)C2)ccn1 ZINC000856584915 596023095 /nfs/dbraw/zinc/02/30/95/596023095.db2.gz URFOFUXPVJHEPT-AOMKIAJQSA-N 2 1 325.478 1.365 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)N3CCCC3)C2)ccn1 ZINC000856586149 596023125 /nfs/dbraw/zinc/02/31/25/596023125.db2.gz OVOIZSYQAGPDJL-SFHVURJKSA-N 2 1 346.475 1.609 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)N3CCCC3)C2)ccn1 ZINC000856586149 596023129 /nfs/dbraw/zinc/02/31/29/596023129.db2.gz OVOIZSYQAGPDJL-SFHVURJKSA-N 2 1 346.475 1.609 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)ccn1 ZINC000856586149 596023134 /nfs/dbraw/zinc/02/31/34/596023134.db2.gz OVOIZSYQAGPDJL-SFHVURJKSA-N 2 1 346.475 1.609 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)ccn1 ZINC000856586149 596023138 /nfs/dbraw/zinc/02/31/38/596023138.db2.gz OVOIZSYQAGPDJL-SFHVURJKSA-N 2 1 346.475 1.609 20 0 EDADMP CCCCCC[C@](O)(C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(=O)OC ZINC000852078053 596036282 /nfs/dbraw/zinc/03/62/82/596036282.db2.gz JTAJWPCVDLSROZ-MSOLQXFVSA-N 2 1 326.481 1.889 20 0 EDADMP CCCCCC[C@](O)(C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)C(=O)OC ZINC000852078053 596036286 /nfs/dbraw/zinc/03/62/86/596036286.db2.gz JTAJWPCVDLSROZ-MSOLQXFVSA-N 2 1 326.481 1.889 20 0 EDADMP CCCCCC[C@](O)(C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)C(=O)OC ZINC000852078053 596036291 /nfs/dbraw/zinc/03/62/91/596036291.db2.gz JTAJWPCVDLSROZ-MSOLQXFVSA-N 2 1 326.481 1.889 20 0 EDADMP CN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000852107529 596045368 /nfs/dbraw/zinc/04/53/68/596045368.db2.gz MUNPRFCUDYTCJC-QAPCUYQASA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000852107529 596045373 /nfs/dbraw/zinc/04/53/73/596045373.db2.gz MUNPRFCUDYTCJC-QAPCUYQASA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000852107529 596045379 /nfs/dbraw/zinc/04/53/79/596045379.db2.gz MUNPRFCUDYTCJC-QAPCUYQASA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000852107529 596045384 /nfs/dbraw/zinc/04/53/84/596045384.db2.gz MUNPRFCUDYTCJC-QAPCUYQASA-N 2 1 341.496 1.632 20 0 EDADMP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000866665253 596284497 /nfs/dbraw/zinc/28/44/97/596284497.db2.gz AQDXQVZVRSPJMW-OALUTQOASA-N 2 1 344.503 1.716 20 0 EDADMP Cc1cccnc1NC(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000866666677 596285031 /nfs/dbraw/zinc/28/50/31/596285031.db2.gz UTJZMCPLGMENSP-DOTOQJQBSA-N 2 1 332.448 1.547 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCOc3cc(N)ccc3C2)CC1 ZINC000866690213 596295866 /nfs/dbraw/zinc/29/58/66/596295866.db2.gz WRKBHMBIYHETBN-UHFFFAOYSA-N 2 1 332.492 1.879 20 0 EDADMP COc1ccccc1CCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711742 596305240 /nfs/dbraw/zinc/30/52/40/596305240.db2.gz MSCDPWOZAWVOBI-NUJGCVRESA-N 2 1 345.443 1.495 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000866714472 596306569 /nfs/dbraw/zinc/30/65/69/596306569.db2.gz PNWZDMFRQWUIRX-DFBGVHRSSA-N 2 1 339.798 1.846 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000866714472 596306574 /nfs/dbraw/zinc/30/65/74/596306574.db2.gz PNWZDMFRQWUIRX-DFBGVHRSSA-N 2 1 339.798 1.846 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870871039 596384633 /nfs/dbraw/zinc/38/46/33/596384633.db2.gz GUDFHGUTRQLOQP-GWCFXTLKSA-N 2 1 326.238 1.517 20 0 EDADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000871285173 596523974 /nfs/dbraw/zinc/52/39/74/596523974.db2.gz POGMKYHJEIZRGO-GOSISDBHSA-N 2 1 333.476 1.654 20 0 EDADMP C[C@@H]1C[C@H](C)CN(C(=O)CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000871785552 596700623 /nfs/dbraw/zinc/70/06/23/596700623.db2.gz RWHWSLXTDPCGKM-ZANUVAQNSA-N 2 1 336.480 1.862 20 0 EDADMP C[C@@H]1C[C@H](C)CN(C(=O)CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000871785552 596700626 /nfs/dbraw/zinc/70/06/26/596700626.db2.gz RWHWSLXTDPCGKM-ZANUVAQNSA-N 2 1 336.480 1.862 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868282170 596763016 /nfs/dbraw/zinc/76/30/16/596763016.db2.gz UBQCENNSCGVXAZ-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP C[NH+]1CCC2(CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)CC1 ZINC000866054734 596773554 /nfs/dbraw/zinc/77/35/54/596773554.db2.gz IAGJALRXJWICAH-UHFFFAOYSA-N 2 1 331.464 1.625 20 0 EDADMP COc1ccccc1/C=C\C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255966 596856747 /nfs/dbraw/zinc/85/67/47/596856747.db2.gz PILQBFLCFYKNBL-INEJNAMHSA-N 2 1 343.427 1.575 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000872257342 596857489 /nfs/dbraw/zinc/85/74/89/596857489.db2.gz PMHFZZPTKMROHK-OKZBNKHCSA-N 2 1 338.411 1.602 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC(C)=NO1 ZINC000875970877 597052217 /nfs/dbraw/zinc/05/22/17/597052217.db2.gz IDRABBBZMUTWLF-CVEARBPZSA-N 2 1 339.484 1.209 20 0 EDADMP CCOc1cccc(F)c1CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000873044050 597169335 /nfs/dbraw/zinc/16/93/35/597169335.db2.gz AEFXOSDCHOBHFN-AWEZNQCLSA-N 2 1 337.439 1.901 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000873111387 597199803 /nfs/dbraw/zinc/19/98/03/597199803.db2.gz MSYHWTJTJIHGPW-DLBZAZTESA-N 2 1 344.459 1.430 20 0 EDADMP COCCC1([NH2+]Cc2cnc(N3CCOCC3)s2)CC[NH2+]CC1 ZINC000873224361 597232121 /nfs/dbraw/zinc/23/21/21/597232121.db2.gz DAUKAGSTBJYEQP-UHFFFAOYSA-N 2 1 340.493 1.228 20 0 EDADMP CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000873262058 597241958 /nfs/dbraw/zinc/24/19/58/597241958.db2.gz JCCWJMAMAMACFU-GFCCVEGCSA-N 2 1 334.445 1.296 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[N@@H+]1CCc2sccc2C1 ZINC000876728148 597309274 /nfs/dbraw/zinc/30/92/74/597309274.db2.gz HAJOHIIQGDDIKV-CDMKHQONSA-N 2 1 329.416 1.451 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[N@H+]1CCc2sccc2C1 ZINC000876728148 597309279 /nfs/dbraw/zinc/30/92/79/597309279.db2.gz HAJOHIIQGDDIKV-CDMKHQONSA-N 2 1 329.416 1.451 20 0 EDADMP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1(F)F ZINC000876732555 597311210 /nfs/dbraw/zinc/31/12/10/597311210.db2.gz ZEAVRYZAGOMHSI-HUUCEWRRSA-N 2 1 329.435 1.941 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)cc2)CC1 ZINC000876736135 597314031 /nfs/dbraw/zinc/31/40/31/597314031.db2.gz RPWHINLKSFSZDR-JKSUJKDBSA-N 2 1 344.459 1.386 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)c2)CCO1 ZINC000876736458 597314163 /nfs/dbraw/zinc/31/41/63/597314163.db2.gz IUMJXXHUMFBPLV-JLSDUUJJSA-N 2 1 349.450 1.471 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)c2)CCO1 ZINC000876736458 597314166 /nfs/dbraw/zinc/31/41/66/597314166.db2.gz IUMJXXHUMFBPLV-JLSDUUJJSA-N 2 1 349.450 1.471 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H](F)[C@H]3CC[NH2+]C3)c2)CCO1 ZINC000876736456 597314405 /nfs/dbraw/zinc/31/44/05/597314405.db2.gz IUMJXXHUMFBPLV-FHLIZLRMSA-N 2 1 349.450 1.471 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H](F)[C@H]3CC[NH2+]C3)c2)CCO1 ZINC000876736456 597314409 /nfs/dbraw/zinc/31/44/09/597314409.db2.gz IUMJXXHUMFBPLV-FHLIZLRMSA-N 2 1 349.450 1.471 20 0 EDADMP C[C@H](NC(=O)[C@H](F)[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876772485 597333988 /nfs/dbraw/zinc/33/39/88/597333988.db2.gz OACWZJMJAPCFLV-DZJNRPSUSA-N 2 1 349.450 1.340 20 0 EDADMP C[C@H](NC(=O)[C@H](F)[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876772485 597333992 /nfs/dbraw/zinc/33/39/92/597333992.db2.gz OACWZJMJAPCFLV-DZJNRPSUSA-N 2 1 349.450 1.340 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000876897141 597375484 /nfs/dbraw/zinc/37/54/84/597375484.db2.gz QBQYZMYKTPBQTB-FGTMMUONSA-N 2 1 345.487 1.767 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000876933359 597390046 /nfs/dbraw/zinc/39/00/46/597390046.db2.gz NEPTXNZFYAKSJM-OAHLLOKOSA-N 2 1 339.505 1.936 20 0 EDADMP C[NH+](C)C[C@H](N)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000876986310 597406070 /nfs/dbraw/zinc/40/60/70/597406070.db2.gz BDAKMXIJPKNVAZ-SFHVURJKSA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+](C)C[C@H](N)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000876986310 597406072 /nfs/dbraw/zinc/40/60/72/597406072.db2.gz BDAKMXIJPKNVAZ-SFHVURJKSA-N 2 1 344.459 1.417 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C1 ZINC000877229223 597469290 /nfs/dbraw/zinc/46/92/90/597469290.db2.gz JFPFZPJDTYREHH-BHIYHBOVSA-N 2 1 347.503 1.931 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C1 ZINC000877229223 597469293 /nfs/dbraw/zinc/46/92/93/597469293.db2.gz JFPFZPJDTYREHH-BHIYHBOVSA-N 2 1 347.503 1.931 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000877230538 597469820 /nfs/dbraw/zinc/46/98/20/597469820.db2.gz DRNJZWVSNVGZOX-HUUCEWRRSA-N 2 1 341.402 1.295 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000877230538 597469821 /nfs/dbraw/zinc/46/98/21/597469821.db2.gz DRNJZWVSNVGZOX-HUUCEWRRSA-N 2 1 341.402 1.295 20 0 EDADMP COCC[N@H+](Cc1ccc(OCC(N)=O)cc1)CC1CC[NH+](C)CC1 ZINC000877665121 597545914 /nfs/dbraw/zinc/54/59/14/597545914.db2.gz HXCPXENZWIMOBC-UHFFFAOYSA-N 2 1 349.475 1.341 20 0 EDADMP O=C1CC2(CN1)CC[NH+](C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000878154961 597582457 /nfs/dbraw/zinc/58/24/57/597582457.db2.gz JJNIYZBGBICGKY-FQEVSTJZSA-N 2 1 343.471 1.226 20 0 EDADMP O=C1CC2(CN1)CC[NH+](C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000878154961 597582458 /nfs/dbraw/zinc/58/24/58/597582458.db2.gz JJNIYZBGBICGKY-FQEVSTJZSA-N 2 1 343.471 1.226 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCC2(CCOCC2)O1 ZINC000878288016 597592721 /nfs/dbraw/zinc/59/27/21/597592721.db2.gz LUQOZVNRMHZAAD-TVFCKZIOSA-N 2 1 338.492 1.898 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000878442206 597602253 /nfs/dbraw/zinc/60/22/53/597602253.db2.gz KHGDURBBWZMCQM-IBGZPJMESA-N 2 1 329.444 1.328 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000878442206 597602254 /nfs/dbraw/zinc/60/22/54/597602254.db2.gz KHGDURBBWZMCQM-IBGZPJMESA-N 2 1 329.444 1.328 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(O)CCCC2)[C@@H](C)C1 ZINC000878447073 597602619 /nfs/dbraw/zinc/60/26/19/597602619.db2.gz KWTKTYXXTPSYGH-KSZLIROESA-N 2 1 342.524 1.769 20 0 EDADMP CC[NH+](CC)CCNC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000883032905 597626021 /nfs/dbraw/zinc/62/60/21/597626021.db2.gz XJDLRXDTDLYSHK-UHFFFAOYSA-N 2 1 342.528 1.861 20 0 EDADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000883035772 597626562 /nfs/dbraw/zinc/62/65/62/597626562.db2.gz OPXNGGJBGRMJJZ-MRXNPFEDSA-N 2 1 347.463 1.024 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000883054836 597634176 /nfs/dbraw/zinc/63/41/76/597634176.db2.gz QHEMEXROIZUDDU-MRXNPFEDSA-N 2 1 338.496 1.415 20 0 EDADMP CCCCCC[C@](O)(C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)C(=O)OC ZINC000879581270 597642240 /nfs/dbraw/zinc/64/22/40/597642240.db2.gz XMULSWQGQVAWMU-BQFCYCMXSA-N 2 1 326.481 1.887 20 0 EDADMP CCCCCC[C@](O)(C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)C(=O)OC ZINC000879581270 597642242 /nfs/dbraw/zinc/64/22/42/597642242.db2.gz XMULSWQGQVAWMU-BQFCYCMXSA-N 2 1 326.481 1.887 20 0 EDADMP CCCCCC[C@](O)(C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)C(=O)OC ZINC000879581270 597642244 /nfs/dbraw/zinc/64/22/44/597642244.db2.gz XMULSWQGQVAWMU-BQFCYCMXSA-N 2 1 326.481 1.887 20 0 EDADMP CCCCCC[C@](O)(C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)C(=O)OC ZINC000879581270 597642247 /nfs/dbraw/zinc/64/22/47/597642247.db2.gz XMULSWQGQVAWMU-BQFCYCMXSA-N 2 1 326.481 1.887 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCN1c1cc[nH+]cc1 ZINC000883149370 597668324 /nfs/dbraw/zinc/66/83/24/597668324.db2.gz YHWQHIWBUYPOCB-BPQIPLTHSA-N 2 1 343.475 1.929 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)[C@@H](C)C1 ZINC000883300248 597705964 /nfs/dbraw/zinc/70/59/64/597705964.db2.gz RPJSUASKZVOWOB-UONOGXRCSA-N 2 1 331.526 1.557 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883416739 597739178 /nfs/dbraw/zinc/73/91/78/597739178.db2.gz CRXGAGAEBGPJDZ-KZNAEPCWSA-N 2 1 331.460 1.694 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCC4)O3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000883433787 597744883 /nfs/dbraw/zinc/74/48/83/597744883.db2.gz YXDXLYMVTIMTIL-GVDBMIGSSA-N 2 1 348.491 1.308 20 0 EDADMP CC1(C)C[C@@H](C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C(C)(C)O1 ZINC000883439104 597747293 /nfs/dbraw/zinc/74/72/93/597747293.db2.gz IZBXSAJKQCLUOX-XQLPTFJDSA-N 2 1 337.464 1.447 20 0 EDADMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000881845481 597752096 /nfs/dbraw/zinc/75/20/96/597752096.db2.gz ODPSTJDPFKQULF-UHFFFAOYSA-N 2 1 338.477 1.066 20 0 EDADMP COC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000878918097 597755421 /nfs/dbraw/zinc/75/54/21/597755421.db2.gz FGVSELLNSRFPGT-QGZVFWFLSA-N 2 1 335.448 1.183 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883585693 597813435 /nfs/dbraw/zinc/81/34/35/597813435.db2.gz VHFZXXDTEHPMOL-WMLDXEAASA-N 2 1 331.464 1.700 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883585694 597814246 /nfs/dbraw/zinc/81/42/46/597814246.db2.gz VHFZXXDTEHPMOL-YOEHRIQHSA-N 2 1 331.464 1.700 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)COC1CC1 ZINC000879101265 597821261 /nfs/dbraw/zinc/82/12/61/597821261.db2.gz GNNSPFOCJHKSMO-UHFFFAOYSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000880250423 597882983 /nfs/dbraw/zinc/88/29/83/597882983.db2.gz JUXSBMHOIJDHOD-IEBWSBKVSA-N 2 1 335.492 1.304 20 0 EDADMP CC[N@@H+]1CC[C@H]1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000882482878 597971745 /nfs/dbraw/zinc/97/17/45/597971745.db2.gz OMDZXKOTIVMBHS-SFHVURJKSA-N 2 1 330.476 1.015 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000882482878 597971749 /nfs/dbraw/zinc/97/17/49/597971749.db2.gz OMDZXKOTIVMBHS-SFHVURJKSA-N 2 1 330.476 1.015 20 0 EDADMP C[C@@H](C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2)[NH+](C)C ZINC000882592211 598000467 /nfs/dbraw/zinc/00/04/67/598000467.db2.gz ACXXDKLFILHMCC-ABSDTBQOSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H](C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2)[NH+](C)C ZINC000882592211 598000469 /nfs/dbraw/zinc/00/04/69/598000469.db2.gz ACXXDKLFILHMCC-ABSDTBQOSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CCN1c1cc[nH+]cc1 ZINC000882619109 598004623 /nfs/dbraw/zinc/00/46/23/598004623.db2.gz BTSJKTOLZGUDMA-CQSZACIVSA-N 2 1 338.477 1.016 20 0 EDADMP CC(C)c1[nH+]ccn1CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884196142 598023743 /nfs/dbraw/zinc/02/37/43/598023743.db2.gz JFHVHLAFOVHCNU-UHFFFAOYSA-N 2 1 342.447 1.241 20 0 EDADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCC[NH+]1CCSCC1 ZINC000884197449 598024039 /nfs/dbraw/zinc/02/40/39/598024039.db2.gz UUJSYGSZXUZTOY-HNNXBMFYSA-N 2 1 349.504 1.351 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[NH2+]CC3(C)C)CC2)oc1C ZINC000884218988 598033014 /nfs/dbraw/zinc/03/30/14/598033014.db2.gz DSCANDWZPBLHLY-MRXNPFEDSA-N 2 1 348.491 1.865 20 0 EDADMP Cc1cc(CO)cc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)[nH+]1 ZINC000882814043 598067630 /nfs/dbraw/zinc/06/76/30/598067630.db2.gz BIRXOAMFANCXGS-UHFFFAOYSA-N 2 1 332.448 1.193 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000884389585 598090115 /nfs/dbraw/zinc/09/01/15/598090115.db2.gz BPXOMAHDZXGJSB-HRCADAONSA-N 2 1 349.475 1.512 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000884389585 598090120 /nfs/dbraw/zinc/09/01/20/598090120.db2.gz BPXOMAHDZXGJSB-HRCADAONSA-N 2 1 349.475 1.512 20 0 EDADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000884396930 598092625 /nfs/dbraw/zinc/09/26/25/598092625.db2.gz QZEZFPZVQTVUSS-DUZACMNTSA-N 2 1 343.475 1.927 20 0 EDADMP CC(=O)Oc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000881202805 598097793 /nfs/dbraw/zinc/09/77/93/598097793.db2.gz MZOQERSTCFXAAP-UHFFFAOYSA-N 2 1 343.431 1.217 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1cscn1 ZINC000939815663 699974557 /nfs/dbraw/zinc/97/45/57/699974557.db2.gz KLYNDRAUQHHTHM-GDBMZVCRSA-N 2 1 336.505 1.956 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000914190499 695266497 /nfs/dbraw/zinc/26/64/97/695266497.db2.gz SUVWCWBGJOEVPN-HDMKZQKVSA-N 2 1 330.476 1.825 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000914190499 695266499 /nfs/dbraw/zinc/26/64/99/695266499.db2.gz SUVWCWBGJOEVPN-HDMKZQKVSA-N 2 1 330.476 1.825 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000914190499 695266501 /nfs/dbraw/zinc/26/65/01/695266501.db2.gz SUVWCWBGJOEVPN-HDMKZQKVSA-N 2 1 330.476 1.825 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000914338373 695369667 /nfs/dbraw/zinc/36/96/67/695369667.db2.gz XCNIOEPPUXFWEC-OAGGEKHMSA-N 2 1 340.537 1.597 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000914338373 695369670 /nfs/dbraw/zinc/36/96/70/695369670.db2.gz XCNIOEPPUXFWEC-OAGGEKHMSA-N 2 1 340.537 1.597 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000914338373 695369673 /nfs/dbraw/zinc/36/96/73/695369673.db2.gz XCNIOEPPUXFWEC-OAGGEKHMSA-N 2 1 340.537 1.597 20 0 EDADMP CCOC1CC(CN2CC(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001031050696 695385572 /nfs/dbraw/zinc/38/55/72/695385572.db2.gz UNFZOWFXCVEMGH-VJFUWPCTSA-N 2 1 337.508 1.865 20 0 EDADMP CCOC1CC(C[NH+]2CC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001031050696 695385574 /nfs/dbraw/zinc/38/55/74/695385574.db2.gz UNFZOWFXCVEMGH-VJFUWPCTSA-N 2 1 337.508 1.865 20 0 EDADMP CO[C@@H](C[NH+]1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1)C1CCC1 ZINC001031104134 695527235 /nfs/dbraw/zinc/52/72/35/695527235.db2.gz IQMQGGMEWZKCDG-IBGZPJMESA-N 2 1 345.487 1.977 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](C[C@@H]3CCc4ccccc4C3)C2)C1 ZINC001031257920 696064986 /nfs/dbraw/zinc/06/49/86/696064986.db2.gz AVPPQTCPHMMTNM-IAGOWNOFSA-N 2 1 341.499 1.934 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994132649 696530346 /nfs/dbraw/zinc/53/03/46/696530346.db2.gz KHVQETZIZHCKGX-RDJZCZTQSA-N 2 1 325.497 1.722 20 0 EDADMP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000916874166 696803855 /nfs/dbraw/zinc/80/38/55/696803855.db2.gz QYNQDYUCLDSIFH-GJZGRUSLSA-N 2 1 326.510 1.207 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(Cc2nccnc2C)[C@@H]1C ZINC000994425230 696847254 /nfs/dbraw/zinc/84/72/54/696847254.db2.gz RNWUHQOFSNLCAY-GDBMZVCRSA-N 2 1 342.447 1.459 20 0 EDADMP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000940008696 700110723 /nfs/dbraw/zinc/11/07/23/700110723.db2.gz YNLCFFASENSMKQ-INIZCTEOSA-N 2 1 334.464 1.802 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000917897845 697099656 /nfs/dbraw/zinc/09/96/56/697099656.db2.gz DNJORLPJZFIJNQ-IAGOWNOFSA-N 2 1 338.496 1.413 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001031585055 697280580 /nfs/dbraw/zinc/28/05/80/697280580.db2.gz PBGXQFPNDDQMEZ-MSOLQXFVSA-N 2 1 331.435 1.955 20 0 EDADMP Cc1cc(C)n(CCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000919860976 697351695 /nfs/dbraw/zinc/35/16/95/697351695.db2.gz MLXJCYSVYJPRQV-UHFFFAOYSA-N 2 1 342.447 1.676 20 0 EDADMP O=C(NCC1CN(Cc2ccc(F)cn2)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031668272 697459664 /nfs/dbraw/zinc/45/96/64/697459664.db2.gz BZTFLFRLZRQWKB-YJBOKZPZSA-N 2 1 346.450 1.643 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC001031688268 697519958 /nfs/dbraw/zinc/51/99/58/697519958.db2.gz BYKAGXVVYKVJQU-MOPGFXCFSA-N 2 1 343.471 1.406 20 0 EDADMP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031689573 697531206 /nfs/dbraw/zinc/53/12/06/697531206.db2.gz WETFGMGPBZYBBQ-OALUTQOASA-N 2 1 349.519 1.868 20 0 EDADMP CCO[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)C[NH+](C)C ZINC000921426737 697603624 /nfs/dbraw/zinc/60/36/24/697603624.db2.gz JSFJOTCLSCHAPJ-JKSUJKDBSA-N 2 1 328.501 1.230 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000921435923 697611689 /nfs/dbraw/zinc/61/16/89/697611689.db2.gz KPXPYGOLYKCFID-XOKHGSTOSA-N 2 1 336.480 1.022 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000921435923 697611690 /nfs/dbraw/zinc/61/16/90/697611690.db2.gz KPXPYGOLYKCFID-XOKHGSTOSA-N 2 1 336.480 1.022 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921435923 697611691 /nfs/dbraw/zinc/61/16/91/697611691.db2.gz KPXPYGOLYKCFID-XOKHGSTOSA-N 2 1 336.480 1.022 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](C/C=C\Cl)C2)cn1 ZINC001015828146 697687076 /nfs/dbraw/zinc/68/70/76/697687076.db2.gz XHFHZYRSXKBLHZ-PKXJPQMGSA-N 2 1 325.844 1.001 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+](C/C=C\Cl)C2)cn1 ZINC001015828146 697687079 /nfs/dbraw/zinc/68/70/79/697687079.db2.gz XHFHZYRSXKBLHZ-PKXJPQMGSA-N 2 1 325.844 1.001 20 0 EDADMP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)on1 ZINC000995035800 700179767 /nfs/dbraw/zinc/17/97/67/700179767.db2.gz IXALPFINCIFFED-HUUCEWRRSA-N 2 1 331.420 1.563 20 0 EDADMP O=C(NCC1C[NH+](CC[C@H]2CCOC2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001031731934 698156567 /nfs/dbraw/zinc/15/65/67/698156567.db2.gz OJAPHFAKEAQLLE-HOCLYGCPSA-N 2 1 332.448 1.235 20 0 EDADMP O=C(NCC1C[NH+](C[C@H]2CCCCO2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001031731980 698157605 /nfs/dbraw/zinc/15/76/05/698157605.db2.gz PRSGSULVBYLRMC-CVEARBPZSA-N 2 1 332.448 1.378 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]CC3CCOCC3)CC2)CC[N@H+]1C ZINC000940116821 700248907 /nfs/dbraw/zinc/24/89/07/700248907.db2.gz INJAVJPQYTVDDR-NVXWUHKLSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000940120819 700254201 /nfs/dbraw/zinc/25/42/01/700254201.db2.gz UDLZURCTPJTAQI-CZUORRHYSA-N 2 1 334.464 1.794 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)C[C@@H]2C)CC1 ZINC000943755912 698829819 /nfs/dbraw/zinc/82/98/19/698829819.db2.gz IYIPLALZWOTIFC-ZWKOTPCHSA-N 2 1 347.507 1.442 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H](C)OC)C1 ZINC001032119266 699002202 /nfs/dbraw/zinc/00/22/02/699002202.db2.gz KQSCEAWFHYZHRO-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1ncsc1C[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031764715 699049760 /nfs/dbraw/zinc/04/97/60/699049760.db2.gz LXOBKEYGRMQIIZ-UHFFFAOYSA-N 2 1 348.516 1.876 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCOc2ccc(F)cc2)C1 ZINC001031771815 699093747 /nfs/dbraw/zinc/09/37/47/699093747.db2.gz JNUFVFRUZLHICI-GOSISDBHSA-N 2 1 349.450 1.737 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)cs1 ZINC000939063081 699105861 /nfs/dbraw/zinc/10/58/61/699105861.db2.gz ACFFBSKZJVGNOP-BLLLJJGKSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939128492 699207113 /nfs/dbraw/zinc/20/71/13/699207113.db2.gz LATGJSPVOCHXNG-IUODEOHRSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939128492 699207114 /nfs/dbraw/zinc/20/71/14/699207114.db2.gz LATGJSPVOCHXNG-IUODEOHRSA-N 2 1 335.452 1.046 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccnc2)C1 ZINC001031801344 699345999 /nfs/dbraw/zinc/34/59/99/699345999.db2.gz CNERWCIWTXJGJC-SFHVURJKSA-N 2 1 330.476 1.750 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccnc2)C1 ZINC001031801344 699346003 /nfs/dbraw/zinc/34/60/03/699346003.db2.gz CNERWCIWTXJGJC-SFHVURJKSA-N 2 1 330.476 1.750 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001031802439 699364068 /nfs/dbraw/zinc/36/40/68/699364068.db2.gz QRNOHHGPIYOWHJ-AEFFLSMTSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000939235462 699403493 /nfs/dbraw/zinc/40/34/93/699403493.db2.gz LCODKCGOZINGQX-BBRMVZONSA-N 2 1 345.447 1.940 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1[NH2+]Cc1ccon1 ZINC000939316844 699506844 /nfs/dbraw/zinc/50/68/44/699506844.db2.gz SVWOITIANGBCQT-RDTXWAMCSA-N 2 1 342.443 1.987 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC1CCCCC1 ZINC000939316946 699507176 /nfs/dbraw/zinc/50/71/76/699507176.db2.gz UUQTYIGMRUTEKY-SJLPKXTDSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1[NH2+]CC1CC1 ZINC000939408494 699563007 /nfs/dbraw/zinc/56/30/07/699563007.db2.gz PGPKBFQTCBNLDN-DYVFJYSZSA-N 2 1 325.416 1.727 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)co1 ZINC000939813387 699960796 /nfs/dbraw/zinc/96/07/96/699960796.db2.gz ZWMJNHWJRDCIDM-YOEHRIQHSA-N 2 1 334.464 1.796 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)n2)CC1 ZINC000940143440 700272589 /nfs/dbraw/zinc/27/25/89/700272589.db2.gz VYQUIYAVZKQSJD-MRXNPFEDSA-N 2 1 348.495 1.160 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)nn1C ZINC000940154113 700284189 /nfs/dbraw/zinc/28/41/89/700284189.db2.gz QLOJUAJYPDSQFS-UHFFFAOYSA-N 2 1 347.507 1.684 20 0 EDADMP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000940154459 700284826 /nfs/dbraw/zinc/28/48/26/700284826.db2.gz YFPSZDSGYYWJCR-UHFFFAOYSA-N 2 1 333.480 1.375 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940159086 700291442 /nfs/dbraw/zinc/29/14/42/700291442.db2.gz AJXIIFHJFDCLIR-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000940328091 700505981 /nfs/dbraw/zinc/50/59/81/700505981.db2.gz FNEBXNKJYQLURO-PBHICJAKSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)cn1 ZINC000940328344 700506280 /nfs/dbraw/zinc/50/62/80/700506280.db2.gz HJUQCTKHNNSZRA-OAHLLOKOSA-N 2 1 345.491 1.740 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nonc2C)CC1 ZINC000940471958 700657148 /nfs/dbraw/zinc/65/71/48/700657148.db2.gz CYGURSDFHJDJIC-MRXNPFEDSA-N 2 1 349.479 1.723 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]Cc2cnc(C)nc2)CC1 ZINC000940461850 700665349 /nfs/dbraw/zinc/66/53/49/700665349.db2.gz OAOVXWXDZFMOKF-UHFFFAOYSA-N 2 1 342.447 1.461 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cnsn3)C2)CC1 ZINC000995079566 700689259 /nfs/dbraw/zinc/68/92/59/700689259.db2.gz NZVRVJHUEDSTAQ-GXTWGEPZSA-N 2 1 337.493 1.254 20 0 EDADMP CCc1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995081672 700699641 /nfs/dbraw/zinc/69/96/41/700699641.db2.gz VWHNMUDHQLXVHK-ZFWWWQNUSA-N 2 1 349.479 1.348 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940750433 700888955 /nfs/dbraw/zinc/88/89/55/700888955.db2.gz HDCWVMAYULIUSQ-MRXNPFEDSA-N 2 1 335.496 1.683 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000940800918 700906411 /nfs/dbraw/zinc/90/64/11/700906411.db2.gz KCTVYZSWDLIMTQ-IAGOWNOFSA-N 2 1 339.524 1.848 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940800918 700906413 /nfs/dbraw/zinc/90/64/13/700906413.db2.gz KCTVYZSWDLIMTQ-IAGOWNOFSA-N 2 1 339.524 1.848 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940800918 700906415 /nfs/dbraw/zinc/90/64/15/700906415.db2.gz KCTVYZSWDLIMTQ-IAGOWNOFSA-N 2 1 339.524 1.848 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CC3CCC3)CC2(C)C)O1 ZINC000940831771 700931086 /nfs/dbraw/zinc/93/10/86/700931086.db2.gz QOISGRXGRNVJFD-OIISXLGYSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CC3CCC3)CC2(C)C)O1 ZINC000940831771 700931088 /nfs/dbraw/zinc/93/10/88/700931088.db2.gz QOISGRXGRNVJFD-OIISXLGYSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](CC3CCC3)CC2(C)C)O1 ZINC000940831771 700931089 /nfs/dbraw/zinc/93/10/89/700931089.db2.gz QOISGRXGRNVJFD-OIISXLGYSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCC3)CC2(C)C)O1 ZINC000940831771 700931090 /nfs/dbraw/zinc/93/10/90/700931090.db2.gz QOISGRXGRNVJFD-OIISXLGYSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CC3CCC3)CC2(C)C)O1 ZINC000940831770 700931304 /nfs/dbraw/zinc/93/13/04/700931304.db2.gz QOISGRXGRNVJFD-DJIMGWMZSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CC3CCC3)CC2(C)C)O1 ZINC000940831770 700931305 /nfs/dbraw/zinc/93/13/05/700931305.db2.gz QOISGRXGRNVJFD-DJIMGWMZSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@H+](CC3CCC3)CC2(C)C)O1 ZINC000940831770 700931306 /nfs/dbraw/zinc/93/13/06/700931306.db2.gz QOISGRXGRNVJFD-DJIMGWMZSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)CC2(C)C)O1 ZINC000940831770 700931307 /nfs/dbraw/zinc/93/13/07/700931307.db2.gz QOISGRXGRNVJFD-DJIMGWMZSA-N 2 1 337.508 1.722 20 0 EDADMP Cn1nncc1CN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842269 700938132 /nfs/dbraw/zinc/93/81/32/700938132.db2.gz BVNCLZTUVBRVMR-HOTGVXAUSA-N 2 1 348.495 1.016 20 0 EDADMP Cn1nncc1CN1CC[C@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC000940842269 700938133 /nfs/dbraw/zinc/93/81/33/700938133.db2.gz BVNCLZTUVBRVMR-HOTGVXAUSA-N 2 1 348.495 1.016 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3cn(C)nc3C)C2)C1 ZINC001031916857 701009038 /nfs/dbraw/zinc/00/90/38/701009038.db2.gz HNFXGXPPOFAZHQ-KRWDZBQOSA-N 2 1 347.507 1.399 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3cn(C)nc3C)C2)C1 ZINC001031916857 701009040 /nfs/dbraw/zinc/00/90/40/701009040.db2.gz HNFXGXPPOFAZHQ-KRWDZBQOSA-N 2 1 347.507 1.399 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CC3CCOCC3)C2)C1 ZINC001031919193 701043980 /nfs/dbraw/zinc/04/39/80/701043980.db2.gz OIIXYUJDAHPGOQ-GOSISDBHSA-N 2 1 337.508 1.583 20 0 EDADMP CC1(C)C[N@H+](CCO)CC[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000941128346 701204609 /nfs/dbraw/zinc/20/46/09/701204609.db2.gz ZWIQNRWXNIWXEW-INIZCTEOSA-N 2 1 343.431 1.090 20 0 EDADMP CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000941128346 701204611 /nfs/dbraw/zinc/20/46/11/701204611.db2.gz ZWIQNRWXNIWXEW-INIZCTEOSA-N 2 1 343.431 1.090 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@H](C)c3cccc(C)c3)C2)C1 ZINC001032197804 701745266 /nfs/dbraw/zinc/74/52/66/701745266.db2.gz WRYCGOQQXOPWLD-APWZRJJASA-N 2 1 345.487 1.825 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@H](C)c3cccc(C)c3)C2)C1 ZINC001032197804 701745271 /nfs/dbraw/zinc/74/52/71/701745271.db2.gz WRYCGOQQXOPWLD-APWZRJJASA-N 2 1 345.487 1.825 20 0 EDADMP COc1ccc(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976807 701929309 /nfs/dbraw/zinc/92/93/09/701929309.db2.gz SSINNEOWGFRUBW-MAUKXSAKSA-N 2 1 345.487 1.749 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)cc1 ZINC001031978381 702083486 /nfs/dbraw/zinc/08/34/86/702083486.db2.gz SGDBAOXGXXTLBV-RDTXWAMCSA-N 2 1 331.460 1.441 20 0 EDADMP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)c1 ZINC001031978756 702106128 /nfs/dbraw/zinc/10/61/28/702106128.db2.gz WNJNECVTVVSPEV-KBXCAEBGSA-N 2 1 331.460 1.441 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2scnc2C)C1 ZINC001032206001 702122037 /nfs/dbraw/zinc/12/20/37/702122037.db2.gz OWKCGZYHDCAZOY-HNNXBMFYSA-N 2 1 336.505 1.874 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2scnc2C)C1 ZINC001032206001 702122042 /nfs/dbraw/zinc/12/20/42/702122042.db2.gz OWKCGZYHDCAZOY-HNNXBMFYSA-N 2 1 336.505 1.874 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccn(C)n3)C(C)(C)C2)CC[N@H+]1C ZINC000995844119 702125712 /nfs/dbraw/zinc/12/57/12/702125712.db2.gz ZTGORTKWFKGVBI-GVDBMIGSSA-N 2 1 347.507 1.477 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2(C)C)no1 ZINC000995820099 702137284 /nfs/dbraw/zinc/13/72/84/702137284.db2.gz GCHOFYHLYFHROH-IAGOWNOFSA-N 2 1 346.475 1.651 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cscn2)C(C)(C)C1 ZINC000995981012 702339764 /nfs/dbraw/zinc/33/97/64/702339764.db2.gz MGSBWIMWKIOALX-HUUCEWRRSA-N 2 1 336.505 1.954 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cscn2)C(C)(C)C1 ZINC000995981012 702339771 /nfs/dbraw/zinc/33/97/71/702339771.db2.gz MGSBWIMWKIOALX-HUUCEWRRSA-N 2 1 336.505 1.954 20 0 EDADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942057512 702507251 /nfs/dbraw/zinc/50/72/51/702507251.db2.gz NQFAXNVEYIYFMS-DLBZAZTESA-N 2 1 347.507 1.851 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942205415 702710594 /nfs/dbraw/zinc/71/05/94/702710594.db2.gz SBRIDBNMNMZKPI-DYVFJYSZSA-N 2 1 330.432 1.729 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]C[C@H]2CCOC2)C(C)(C)C1 ZINC000996372422 702737022 /nfs/dbraw/zinc/73/70/22/702737022.db2.gz ADDVYBXLGDIVNX-CVEARBPZSA-N 2 1 348.491 1.870 20 0 EDADMP CC[C@@H]([NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C)C(N)=O ZINC000996378751 702744650 /nfs/dbraw/zinc/74/46/50/702744650.db2.gz YRCKRXZCVIYOIL-KGLIPLIRSA-N 2 1 349.479 1.097 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CC3CCOCC3)C(C)(C)C2)C1 ZINC000996514374 702824887 /nfs/dbraw/zinc/82/48/87/702824887.db2.gz LGNWQSZRIHRVAU-DLBZAZTESA-N 2 1 337.508 1.581 20 0 EDADMP Cn1ccc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996522219 702857928 /nfs/dbraw/zinc/85/79/28/702857928.db2.gz YJJGIERPDZFLLH-ZBFHGGJFSA-N 2 1 333.480 1.089 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)C1 ZINC000996522335 702858234 /nfs/dbraw/zinc/85/82/34/702858234.db2.gz YQOPQOXDUVNCFF-WMLDXEAASA-N 2 1 348.466 1.889 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996608160 702911654 /nfs/dbraw/zinc/91/16/54/702911654.db2.gz BULCBMHBVJGPBM-MRXNPFEDSA-N 2 1 334.464 1.445 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000996605155 702914521 /nfs/dbraw/zinc/91/45/21/702914521.db2.gz BIIZGIIKXCDCHA-GDBMZVCRSA-N 2 1 348.491 1.966 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)c(C)o1 ZINC000996614146 702919279 /nfs/dbraw/zinc/91/92/79/702919279.db2.gz ZEEXFOXKBWOSNH-MRXNPFEDSA-N 2 1 334.464 1.714 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)o2)CC1 ZINC000996643689 702946413 /nfs/dbraw/zinc/94/64/13/702946413.db2.gz DXNLFCBVMJURMB-CJNGLKHVSA-N 2 1 349.479 1.894 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccn2CC)CC1 ZINC000996662738 702960478 /nfs/dbraw/zinc/96/04/78/702960478.db2.gz PRGVNWJHVLDSJS-KRWDZBQOSA-N 2 1 347.507 1.858 20 0 EDADMP CC[C@@H]([NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1)C(N)=O ZINC000996667393 702964634 /nfs/dbraw/zinc/96/46/34/702964634.db2.gz AXLTZJYYVKEQJF-JKSUJKDBSA-N 2 1 338.496 1.094 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996688342 702985439 /nfs/dbraw/zinc/98/54/39/702985439.db2.gz IBBNGSQFIPWFIH-AWEZNQCLSA-N 2 1 337.493 1.493 20 0 EDADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996688432 702986019 /nfs/dbraw/zinc/98/60/19/702986019.db2.gz IXVGHSWQKLVOOJ-HNNXBMFYSA-N 2 1 337.493 1.493 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996688432 702986021 /nfs/dbraw/zinc/98/60/21/702986021.db2.gz IXVGHSWQKLVOOJ-HNNXBMFYSA-N 2 1 337.493 1.493 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000355149667 703011290 /nfs/dbraw/zinc/01/12/90/703011290.db2.gz MOLIRIYZDITCMD-IAGOWNOFSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000355149667 703011293 /nfs/dbraw/zinc/01/12/93/703011293.db2.gz MOLIRIYZDITCMD-IAGOWNOFSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000355149667 703011294 /nfs/dbraw/zinc/01/12/94/703011294.db2.gz MOLIRIYZDITCMD-IAGOWNOFSA-N 2 1 325.497 1.580 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996720210 703014096 /nfs/dbraw/zinc/01/40/96/703014096.db2.gz RXMLDWYJJSJEMB-IAGOWNOFSA-N 2 1 343.475 1.574 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)o1 ZINC000996721747 703016657 /nfs/dbraw/zinc/01/66/57/703016657.db2.gz MDAAMBBKLOBDKD-UHFFFAOYSA-N 2 1 347.463 1.335 20 0 EDADMP C[C@@H]1C[N@@H+](CCn2cccn2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942594551 703107231 /nfs/dbraw/zinc/10/72/31/703107231.db2.gz KNPVZWQIUQHZSR-NVXWUHKLSA-N 2 1 333.480 1.052 20 0 EDADMP C[C@H]1C[N@H+](Cc2nccs2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596790 703111157 /nfs/dbraw/zinc/11/11/57/703111157.db2.gz GGTJWGHCYASJDK-DZGCQCFKSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@H]1C[N@@H+](Cc2nccs2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596790 703111158 /nfs/dbraw/zinc/11/11/58/703111158.db2.gz GGTJWGHCYASJDK-DZGCQCFKSA-N 2 1 336.505 1.812 20 0 EDADMP CCn1ccnc1C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597985 703112916 /nfs/dbraw/zinc/11/29/16/703112916.db2.gz PFFWGEFMJNSVTB-RDJZCZTQSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccnc1C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597985 703112918 /nfs/dbraw/zinc/11/29/18/703112918.db2.gz PFFWGEFMJNSVTB-RDJZCZTQSA-N 2 1 347.507 1.571 20 0 EDADMP CN1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCCCC2)C1 ZINC001032331924 703113345 /nfs/dbraw/zinc/11/33/45/703113345.db2.gz MUHYKQUEPXDHQH-FHWLQOOXSA-N 2 1 349.519 1.963 20 0 EDADMP Cc1ccnc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)n1 ZINC000996919911 703190928 /nfs/dbraw/zinc/19/09/28/703190928.db2.gz BXINFTMKFZERGC-HOTGVXAUSA-N 2 1 345.491 1.596 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1)c1nncn1C ZINC000996921103 703192213 /nfs/dbraw/zinc/19/22/13/703192213.db2.gz IVJREIUJBVTKFG-KKUMJFAQSA-N 2 1 348.495 1.187 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000996951276 703221944 /nfs/dbraw/zinc/22/19/44/703221944.db2.gz DTZXFYOAIJBFQB-UHFFFAOYSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC000996993181 703249671 /nfs/dbraw/zinc/24/96/71/703249671.db2.gz BJEHKSCWDNNTDQ-CYBMUJFWSA-N 2 1 335.452 1.197 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC000996993181 703249673 /nfs/dbraw/zinc/24/96/73/703249673.db2.gz BJEHKSCWDNNTDQ-CYBMUJFWSA-N 2 1 335.452 1.197 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)cn1 ZINC000996995228 703252235 /nfs/dbraw/zinc/25/22/35/703252235.db2.gz MPBPWDXACNWGBU-HNNXBMFYSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000996997855 703255028 /nfs/dbraw/zinc/25/50/28/703255028.db2.gz HYCXHJLKVDBENW-CHWSQXEVSA-N 2 1 335.452 1.504 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000996997855 703255030 /nfs/dbraw/zinc/25/50/30/703255030.db2.gz HYCXHJLKVDBENW-CHWSQXEVSA-N 2 1 335.452 1.504 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000997005422 703262821 /nfs/dbraw/zinc/26/28/21/703262821.db2.gz IJNAAQIQRMIFDY-CQSZACIVSA-N 2 1 348.491 1.968 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)nn1C ZINC000997007101 703264411 /nfs/dbraw/zinc/26/44/11/703264411.db2.gz OKLJJTWSJXXLPB-CQSZACIVSA-N 2 1 333.480 1.151 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1)c1cnccn1 ZINC000997008555 703266855 /nfs/dbraw/zinc/26/68/55/703266855.db2.gz VOVGXBBBGDMXTF-GJZGRUSLSA-N 2 1 331.464 1.460 20 0 EDADMP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997086310 703331842 /nfs/dbraw/zinc/33/18/42/703331842.db2.gz XWCASHHPDXOXEV-QZTJIDSGSA-N 2 1 345.491 1.481 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC000997162491 703450576 /nfs/dbraw/zinc/45/05/76/703450576.db2.gz LGIHPQQKHWMPQP-GOEBONIOSA-N 2 1 338.496 1.095 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cncc(C)c2)CC[N@H+]1C ZINC001032412067 703459587 /nfs/dbraw/zinc/45/95/87/703459587.db2.gz GYCNZHMEEGIKKN-CADBVGFASA-N 2 1 342.487 1.905 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cc(F)ccc3F)CC2)C1 ZINC000997300735 703544306 /nfs/dbraw/zinc/54/43/06/703544306.db2.gz WSCJPHVYWFPIKX-CYBMUJFWSA-N 2 1 337.414 1.997 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)s1 ZINC000997310668 703567359 /nfs/dbraw/zinc/56/73/59/703567359.db2.gz RMJDZSPDJXUQQY-UHFFFAOYSA-N 2 1 334.449 1.132 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(NCc2nc(C)no2)CC1 ZINC000997365034 703598235 /nfs/dbraw/zinc/59/82/35/703598235.db2.gz QFFOXNCAVINUBT-OAHLLOKOSA-N 2 1 335.452 1.333 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nc(C)no2)CC1 ZINC000997365034 703598237 /nfs/dbraw/zinc/59/82/37/703598237.db2.gz QFFOXNCAVINUBT-OAHLLOKOSA-N 2 1 335.452 1.333 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nocc2C)CC1 ZINC000997367160 703601229 /nfs/dbraw/zinc/60/12/29/703601229.db2.gz WRZOIFKQUNQTIK-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2noc(C)n2)CC1 ZINC000997367122 703601463 /nfs/dbraw/zinc/60/14/63/703601463.db2.gz ULHUPISBOSCIGY-XJKSGUPXSA-N 2 1 349.479 1.894 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2noc(C)n2)CC1 ZINC000997367122 703601465 /nfs/dbraw/zinc/60/14/65/703601465.db2.gz ULHUPISBOSCIGY-XJKSGUPXSA-N 2 1 349.479 1.894 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCn1cccn1 ZINC001032433985 703612523 /nfs/dbraw/zinc/61/25/23/703612523.db2.gz WXXIEDFMBZRTJV-ULQDDVLXSA-N 2 1 331.464 1.043 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCn1cccn1 ZINC001032433985 703612525 /nfs/dbraw/zinc/61/25/25/703612525.db2.gz WXXIEDFMBZRTJV-ULQDDVLXSA-N 2 1 331.464 1.043 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1 ZINC001032433985 703612527 /nfs/dbraw/zinc/61/25/27/703612527.db2.gz WXXIEDFMBZRTJV-ULQDDVLXSA-N 2 1 331.464 1.043 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1 ZINC001032433985 703612529 /nfs/dbraw/zinc/61/25/29/703612529.db2.gz WXXIEDFMBZRTJV-ULQDDVLXSA-N 2 1 331.464 1.043 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCOC2CCC2)CC1 ZINC000997422831 703671294 /nfs/dbraw/zinc/67/12/94/703671294.db2.gz ZQNLYNCAYUOJNI-NVXWUHKLSA-N 2 1 337.508 1.724 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCCO1)C12CCC[NH+](CCC1)C2 ZINC001032472466 703685730 /nfs/dbraw/zinc/68/57/30/703685730.db2.gz UNPCAMTXULVXJS-BZSNNMDCSA-N 2 1 347.503 1.717 20 0 EDADMP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032488503 703763287 /nfs/dbraw/zinc/76/32/87/703763287.db2.gz JNQRWILMDYYJSG-XIRDDKMYSA-N 2 1 337.508 1.959 20 0 EDADMP COC[C@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001032488503 703763288 /nfs/dbraw/zinc/76/32/88/703763288.db2.gz JNQRWILMDYYJSG-XIRDDKMYSA-N 2 1 337.508 1.959 20 0 EDADMP COC[C@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001032488503 703763289 /nfs/dbraw/zinc/76/32/89/703763289.db2.gz JNQRWILMDYYJSG-XIRDDKMYSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccns2)CC1 ZINC000997516608 703765746 /nfs/dbraw/zinc/76/57/46/703765746.db2.gz SLEOHOULTBTCQK-BBRMVZONSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC000997530832 703784724 /nfs/dbraw/zinc/78/47/24/703784724.db2.gz KHWXZIOMDGZZAN-RDJZCZTQSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC000997530832 703784725 /nfs/dbraw/zinc/78/47/25/703784725.db2.gz KHWXZIOMDGZZAN-RDJZCZTQSA-N 2 1 339.524 1.970 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2)C1CCC1 ZINC001032498512 703797684 /nfs/dbraw/zinc/79/76/84/703797684.db2.gz YMLRDSFSJCACIS-BZSNNMDCSA-N 2 1 347.503 1.715 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)s1 ZINC000995550611 703954377 /nfs/dbraw/zinc/95/43/77/703954377.db2.gz JYSIKEZLPSVBLX-QWHCGFSZSA-N 2 1 337.493 1.267 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)s1 ZINC000995550611 703954380 /nfs/dbraw/zinc/95/43/80/703954380.db2.gz JYSIKEZLPSVBLX-QWHCGFSZSA-N 2 1 337.493 1.267 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001004207381 703966289 /nfs/dbraw/zinc/96/62/89/703966289.db2.gz VJYRAXGBPXJCNM-GASCZTMLSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001004207381 703966290 /nfs/dbraw/zinc/96/62/90/703966290.db2.gz VJYRAXGBPXJCNM-GASCZTMLSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995555498 703975294 /nfs/dbraw/zinc/97/52/94/703975294.db2.gz ZJAMWONSOFRLQH-IRXDYDNUSA-N 2 1 330.476 1.811 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033080313 704146004 /nfs/dbraw/zinc/14/60/04/704146004.db2.gz FVJJCGQSQKBCKO-JKSUJKDBSA-N 2 1 341.446 1.906 20 0 EDADMP CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033085691 704149842 /nfs/dbraw/zinc/14/98/42/704149842.db2.gz VVKVMXPFVYFZQD-MRXNPFEDSA-N 2 1 335.496 1.637 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(CO)cc3)C2)CC[N@H+]1C ZINC001033093142 704170041 /nfs/dbraw/zinc/17/00/41/704170041.db2.gz WRVDDKKMENKOJT-AYOQOUSVSA-N 2 1 345.487 1.552 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)CC[NH+]1C ZINC001033093142 704170043 /nfs/dbraw/zinc/17/00/43/704170043.db2.gz WRVDDKKMENKOJT-AYOQOUSVSA-N 2 1 345.487 1.552 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(CO)cc3)C2)CC[NH+]1C ZINC001033093142 704170044 /nfs/dbraw/zinc/17/00/44/704170044.db2.gz WRVDDKKMENKOJT-AYOQOUSVSA-N 2 1 345.487 1.552 20 0 EDADMP CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597751 704294296 /nfs/dbraw/zinc/29/42/96/704294296.db2.gz IQFYQXJETICEBG-HCXYKTFWSA-N 2 1 349.519 1.676 20 0 EDADMP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597751 704294297 /nfs/dbraw/zinc/29/42/97/704294297.db2.gz IQFYQXJETICEBG-HCXYKTFWSA-N 2 1 349.519 1.676 20 0 EDADMP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597751 704294298 /nfs/dbraw/zinc/29/42/98/704294298.db2.gz IQFYQXJETICEBG-HCXYKTFWSA-N 2 1 349.519 1.676 20 0 EDADMP CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598128 704298828 /nfs/dbraw/zinc/29/88/28/704298828.db2.gz YKJFLHYXMZDZTR-MHORFTMASA-N 2 1 335.492 1.430 20 0 EDADMP CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598128 704298830 /nfs/dbraw/zinc/29/88/30/704298830.db2.gz YKJFLHYXMZDZTR-MHORFTMASA-N 2 1 335.492 1.430 20 0 EDADMP CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598128 704298833 /nfs/dbraw/zinc/29/88/33/704298833.db2.gz YKJFLHYXMZDZTR-MHORFTMASA-N 2 1 335.492 1.430 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnoc2C)C1 ZINC000999301863 706805378 /nfs/dbraw/zinc/80/53/78/706805378.db2.gz DFHDUPUQTIYIKM-IRXDYDNUSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999307250 706807157 /nfs/dbraw/zinc/80/71/57/706807157.db2.gz MZASDKJRAXESGW-HOTGVXAUSA-N 2 1 331.464 1.432 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999307250 706807160 /nfs/dbraw/zinc/80/71/60/706807160.db2.gz MZASDKJRAXESGW-HOTGVXAUSA-N 2 1 331.464 1.432 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)CCC[NH+](C)C)cn1 ZINC000185578836 704611016 /nfs/dbraw/zinc/61/10/16/704611016.db2.gz HQLQMCWPEVFAOW-UHFFFAOYSA-N 2 1 330.436 1.669 20 0 EDADMP COC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997722589 704612692 /nfs/dbraw/zinc/61/26/92/704612692.db2.gz LGVCJILMPHPCTF-VYDXJSESSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000997776341 704677453 /nfs/dbraw/zinc/67/74/53/704677453.db2.gz MQBAILBSFUUULR-SFHVURJKSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]C[C@@H]3CCCCO3)CC2)CC[N@H+]1C ZINC000997792057 704700399 /nfs/dbraw/zinc/70/03/99/704700399.db2.gz FORHPCIUOUNAHZ-BPQIPLTHSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997825040 704744682 /nfs/dbraw/zinc/74/46/82/704744682.db2.gz YHRPNSWYSGKMTA-SFHVURJKSA-N 2 1 347.507 1.442 20 0 EDADMP C[C@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)O1 ZINC000997830302 704749129 /nfs/dbraw/zinc/74/91/29/704749129.db2.gz HNLNCVYCFFLPIO-MAUKXSAKSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1C[N@@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918983 704770159 /nfs/dbraw/zinc/77/01/59/704770159.db2.gz LXIAHQYFDOQLKL-WMZOPIPTSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1nnsc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944918961 704770390 /nfs/dbraw/zinc/77/03/90/704770390.db2.gz LSDNENUTIFKEPB-OCCSQVGLSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1nnsc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944918961 704770391 /nfs/dbraw/zinc/77/03/91/704770391.db2.gz LSDNENUTIFKEPB-OCCSQVGLSA-N 2 1 337.493 1.269 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)cn1 ZINC000944919653 704771555 /nfs/dbraw/zinc/77/15/55/704771555.db2.gz PKLLSPUHNYZKBH-AEFFLSMTSA-N 2 1 347.507 1.368 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)Cn3c[nH+]cc3C)CC2)sn1 ZINC000997916916 704975815 /nfs/dbraw/zinc/97/58/15/704975815.db2.gz WOVPCIOYHBMGFE-UHFFFAOYSA-N 2 1 347.488 1.985 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2nonc2C)CC1 ZINC000997947733 705068352 /nfs/dbraw/zinc/06/83/52/705068352.db2.gz DRTGXKKLWZRFDL-WBVHZDCISA-N 2 1 349.479 1.675 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2nonc2C)CC1 ZINC000997947733 705068359 /nfs/dbraw/zinc/06/83/59/705068359.db2.gz DRTGXKKLWZRFDL-WBVHZDCISA-N 2 1 349.479 1.675 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2nonc2C)CC1 ZINC000997947733 705068363 /nfs/dbraw/zinc/06/83/63/705068363.db2.gz DRTGXKKLWZRFDL-WBVHZDCISA-N 2 1 349.479 1.675 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2nonc2C)CC1 ZINC000997947733 705068369 /nfs/dbraw/zinc/06/83/69/705068369.db2.gz DRTGXKKLWZRFDL-WBVHZDCISA-N 2 1 349.479 1.675 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOC2CCC2)CC[N@@H+]1C ZINC001032587401 705111898 /nfs/dbraw/zinc/11/18/98/705111898.db2.gz XHTSDTFDNFCZRV-QAETUUGQSA-N 2 1 335.492 1.571 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOC2CCC2)CC[N@H+]1C ZINC001032587401 705111902 /nfs/dbraw/zinc/11/19/02/705111902.db2.gz XHTSDTFDNFCZRV-QAETUUGQSA-N 2 1 335.492 1.571 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOC2CCC2)CC[NH+]1C ZINC001032587401 705111906 /nfs/dbraw/zinc/11/19/06/705111906.db2.gz XHTSDTFDNFCZRV-QAETUUGQSA-N 2 1 335.492 1.571 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOC2CCC2)CC[NH+]1C ZINC001032587401 705111909 /nfs/dbraw/zinc/11/19/09/705111909.db2.gz XHTSDTFDNFCZRV-QAETUUGQSA-N 2 1 335.492 1.571 20 0 EDADMP CCc1nc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)no1 ZINC000998080913 705300634 /nfs/dbraw/zinc/30/06/34/705300634.db2.gz FSERTBUAXWVCBQ-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1nc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)no1 ZINC000998080913 705300638 /nfs/dbraw/zinc/30/06/38/705300638.db2.gz FSERTBUAXWVCBQ-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)cn1 ZINC000998082665 705309870 /nfs/dbraw/zinc/30/98/70/705309870.db2.gz RZSQDPXWOGDKQJ-HNNXBMFYSA-N 2 1 345.491 1.598 20 0 EDADMP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000998083139 705312014 /nfs/dbraw/zinc/31/20/14/705312014.db2.gz VNOASFTZZHNEHR-WBVHZDCISA-N 2 1 347.507 1.429 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000998100503 705342144 /nfs/dbraw/zinc/34/21/44/705342144.db2.gz YTGHXWCLJHUIOU-BZSNNMDCSA-N 2 1 339.524 1.802 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCC[NH+](CCCO)CC1 ZINC000998100503 705342146 /nfs/dbraw/zinc/34/21/46/705342146.db2.gz YTGHXWCLJHUIOU-BZSNNMDCSA-N 2 1 339.524 1.802 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCC[NH+](CCCO)CC1 ZINC000998100503 705342151 /nfs/dbraw/zinc/34/21/51/705342151.db2.gz YTGHXWCLJHUIOU-BZSNNMDCSA-N 2 1 339.524 1.802 20 0 EDADMP CCN(C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998108206 705356922 /nfs/dbraw/zinc/35/69/22/705356922.db2.gz DYAOEWGMFKAUJA-IAGOWNOFSA-N 2 1 348.491 1.449 20 0 EDADMP CCN(C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998108206 705356925 /nfs/dbraw/zinc/35/69/25/705356925.db2.gz DYAOEWGMFKAUJA-IAGOWNOFSA-N 2 1 348.491 1.449 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCCN(Cc2nccn2C)CC1 ZINC000998188828 705493547 /nfs/dbraw/zinc/49/35/47/705493547.db2.gz KQHAEJOWDFEAKF-IRXDYDNUSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](Cc2nccn2C)CC1 ZINC000998188828 705493552 /nfs/dbraw/zinc/49/35/52/705493552.db2.gz KQHAEJOWDFEAKF-IRXDYDNUSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000998188828 705493554 /nfs/dbraw/zinc/49/35/54/705493554.db2.gz KQHAEJOWDFEAKF-IRXDYDNUSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](Cc2nccn2C)CC1 ZINC000998188828 705493558 /nfs/dbraw/zinc/49/35/58/705493558.db2.gz KQHAEJOWDFEAKF-IRXDYDNUSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](Cc2nccn2C)CC1 ZINC000998188828 705493560 /nfs/dbraw/zinc/49/35/60/705493560.db2.gz KQHAEJOWDFEAKF-IRXDYDNUSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000998189907 705495778 /nfs/dbraw/zinc/49/57/78/705495778.db2.gz OJTBUUZUPZJQFQ-DLBZAZTESA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000998189907 705495780 /nfs/dbraw/zinc/49/57/80/705495780.db2.gz OJTBUUZUPZJQFQ-DLBZAZTESA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@H]1CCC[NH+](C(C)C)CC1 ZINC000998189907 705495781 /nfs/dbraw/zinc/49/57/81/705495781.db2.gz OJTBUUZUPZJQFQ-DLBZAZTESA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@H]1CCC[NH+](C(C)C)CC1 ZINC000998189907 705495784 /nfs/dbraw/zinc/49/57/84/705495784.db2.gz OJTBUUZUPZJQFQ-DLBZAZTESA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2nnc(C)o2)CC1 ZINC000998191178 705499571 /nfs/dbraw/zinc/49/95/71/705499571.db2.gz TYWRLAASNGCWDA-JKSUJKDBSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](Cc2nnc(C)o2)CC1 ZINC000998191178 705499576 /nfs/dbraw/zinc/49/95/76/705499576.db2.gz TYWRLAASNGCWDA-JKSUJKDBSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](Cc2nnc(C)o2)CC1 ZINC000998191178 705499578 /nfs/dbraw/zinc/49/95/78/705499578.db2.gz TYWRLAASNGCWDA-JKSUJKDBSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](Cc2nnc(C)o2)CC1 ZINC000998191178 705499583 /nfs/dbraw/zinc/49/95/83/705499583.db2.gz TYWRLAASNGCWDA-JKSUJKDBSA-N 2 1 349.479 1.533 20 0 EDADMP CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998264517 705630747 /nfs/dbraw/zinc/63/07/47/705630747.db2.gz FLKJAUJNJILJCF-INIZCTEOSA-N 2 1 333.480 1.183 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000998288431 705684460 /nfs/dbraw/zinc/68/44/60/705684460.db2.gz VLTIUQJZSNBMBL-SFHVURJKSA-N 2 1 347.507 1.623 20 0 EDADMP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@H]2CCCCO2)C1 ZINC001032628665 705745752 /nfs/dbraw/zinc/74/57/52/705745752.db2.gz APSXTZFORHVIOX-YESZJQIVSA-N 2 1 335.492 1.573 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@H]2CCCCO2)C1 ZINC001032628665 705745754 /nfs/dbraw/zinc/74/57/54/705745754.db2.gz APSXTZFORHVIOX-YESZJQIVSA-N 2 1 335.492 1.573 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CCCCO2)C1 ZINC001032628665 705745756 /nfs/dbraw/zinc/74/57/56/705745756.db2.gz APSXTZFORHVIOX-YESZJQIVSA-N 2 1 335.492 1.573 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CCCCO2)C1 ZINC001032628665 705745758 /nfs/dbraw/zinc/74/57/58/705745758.db2.gz APSXTZFORHVIOX-YESZJQIVSA-N 2 1 335.492 1.573 20 0 EDADMP CC(C)c1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC000998730725 706163444 /nfs/dbraw/zinc/16/34/44/706163444.db2.gz KSQMDWUZBOIRRU-GJZGRUSLSA-N 2 1 334.464 1.973 20 0 EDADMP CC(C)c1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000998730725 706163445 /nfs/dbraw/zinc/16/34/45/706163445.db2.gz KSQMDWUZBOIRRU-GJZGRUSLSA-N 2 1 334.464 1.973 20 0 EDADMP CC(C)n1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000998731276 706163630 /nfs/dbraw/zinc/16/36/30/706163630.db2.gz MYGWVLDKSSMTGC-IAGOWNOFSA-N 2 1 333.480 1.639 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000998764498 706203949 /nfs/dbraw/zinc/20/39/49/706203949.db2.gz RVOUNNPAJDNSDS-ABHNRTSZSA-N 2 1 337.508 1.865 20 0 EDADMP Cc1cc(C)cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998810684 706254237 /nfs/dbraw/zinc/25/42/37/706254237.db2.gz GAYJVGKOUYBIHC-RBUKOAKNSA-N 2 1 345.487 1.715 20 0 EDADMP Cc1cc(C)cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998810684 706254241 /nfs/dbraw/zinc/25/42/41/706254241.db2.gz GAYJVGKOUYBIHC-RBUKOAKNSA-N 2 1 345.487 1.715 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nocc2C)C1 ZINC000998866467 706295966 /nfs/dbraw/zinc/29/59/66/706295966.db2.gz JWCURURXVQOLPU-DQPZFDDXSA-N 2 1 334.464 1.936 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998866474 706296017 /nfs/dbraw/zinc/29/60/17/706296017.db2.gz JWXFUZINRYILOQ-DQPZFDDXSA-N 2 1 333.480 1.374 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccn(C)n3)C2)C1 ZINC000998896760 706323826 /nfs/dbraw/zinc/32/38/26/706323826.db2.gz BQZBRDOPRPJQLK-FAEJEUNOSA-N 2 1 347.507 1.477 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H]3CCCCO3)C[C@H]2CC1 ZINC000946517173 706519431 /nfs/dbraw/zinc/51/94/31/706519431.db2.gz ALQDBKKITDVBTE-HCXYKTFWSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2CC1 ZINC000946517173 706519432 /nfs/dbraw/zinc/51/94/32/706519432.db2.gz ALQDBKKITDVBTE-HCXYKTFWSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2CC1 ZINC000946517173 706519434 /nfs/dbraw/zinc/51/94/34/706519434.db2.gz ALQDBKKITDVBTE-HCXYKTFWSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1cnc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC[C@@H]3C2)o1 ZINC000946517893 706554999 /nfs/dbraw/zinc/55/49/99/706554999.db2.gz LMXXMVNAQNAXIG-IXDOHACOSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1cnc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)CC[C@@H]3C2)o1 ZINC000946517893 706555002 /nfs/dbraw/zinc/55/50/02/706555002.db2.gz LMXXMVNAQNAXIG-IXDOHACOSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)CC[C@@H]3C2)o1 ZINC000946517893 706555004 /nfs/dbraw/zinc/55/50/04/706555004.db2.gz LMXXMVNAQNAXIG-IXDOHACOSA-N 2 1 346.475 1.748 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC([NH2+]CC2CCCC2)C1 ZINC000999143933 706557696 /nfs/dbraw/zinc/55/76/96/706557696.db2.gz RHMQUCAQAMQTPL-ZCYBBYNQSA-N 2 1 347.503 1.619 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC000999347869 706859818 /nfs/dbraw/zinc/85/98/18/706859818.db2.gz MHKBTRFVHOCPTE-HUUCEWRRSA-N 2 1 335.452 1.128 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC000999347869 706859819 /nfs/dbraw/zinc/85/98/19/706859819.db2.gz MHKBTRFVHOCPTE-HUUCEWRRSA-N 2 1 335.452 1.128 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2coc(C3CC3)n2)C1)C1CC1 ZINC000999371985 706886339 /nfs/dbraw/zinc/88/63/39/706886339.db2.gz NRSHESKMJMYRND-WBVHZDCISA-N 2 1 346.475 1.973 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1)C1CCC1 ZINC000999372411 706887069 /nfs/dbraw/zinc/88/70/69/706887069.db2.gz BFZFOFKIGWQCNF-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)ncn1 ZINC000999401614 706909338 /nfs/dbraw/zinc/90/93/38/706909338.db2.gz PFYNTQHZNZNSMA-SJLPKXTDSA-N 2 1 345.491 1.740 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000999407038 706916752 /nfs/dbraw/zinc/91/67/52/706916752.db2.gz CHAQKVMIGVUEEO-UHFFFAOYSA-N 2 1 347.507 1.274 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C3CC3)n2C)C1)[NH+](C)C ZINC000999497554 706995472 /nfs/dbraw/zinc/99/54/72/706995472.db2.gz RAAKWJRABYSCIR-LSDHHAIUSA-N 2 1 348.495 1.113 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000999505892 707003293 /nfs/dbraw/zinc/00/32/93/707003293.db2.gz MSYVEFXGVYVCSI-ABHNRTSZSA-N 2 1 347.507 1.725 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999511842 707010481 /nfs/dbraw/zinc/01/04/81/707010481.db2.gz MQXUWKIRTMNXKW-RDJZCZTQSA-N 2 1 348.495 1.171 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000999511842 707010484 /nfs/dbraw/zinc/01/04/84/707010484.db2.gz MQXUWKIRTMNXKW-RDJZCZTQSA-N 2 1 348.495 1.171 20 0 EDADMP Cc1cccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999515539 707014615 /nfs/dbraw/zinc/01/46/15/707014615.db2.gz YFUZNJCCJPLABD-SJLPKXTDSA-N 2 1 330.476 1.955 20 0 EDADMP CCn1nnc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999515838 707014964 /nfs/dbraw/zinc/01/49/64/707014964.db2.gz YWXMVVVVRRAPGL-CVEARBPZSA-N 2 1 348.495 1.171 20 0 EDADMP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000999681366 707166103 /nfs/dbraw/zinc/16/61/03/707166103.db2.gz FHRBASCTBAXRAA-FAEJEUNOSA-N 2 1 330.476 1.811 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnon2)C1 ZINC000999669797 707200091 /nfs/dbraw/zinc/20/00/91/707200091.db2.gz VPHVGJGVPGJXPP-BDVYOWHSSA-N 2 1 349.479 1.803 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnon2)C1 ZINC000999669797 707200094 /nfs/dbraw/zinc/20/00/94/707200094.db2.gz VPHVGJGVPGJXPP-BDVYOWHSSA-N 2 1 349.479 1.803 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](Cc3cnon3)C[C@H]2CC1 ZINC000946779312 707240196 /nfs/dbraw/zinc/24/01/96/707240196.db2.gz MYWNQBZGFXZDEG-OAGGEKHMSA-N 2 1 347.463 1.224 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](Cc3cnon3)C[C@H]2CC1 ZINC000946779312 707240197 /nfs/dbraw/zinc/24/01/97/707240197.db2.gz MYWNQBZGFXZDEG-OAGGEKHMSA-N 2 1 347.463 1.224 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](Cc3cnon3)C[C@H]2CC1 ZINC000946779312 707240198 /nfs/dbraw/zinc/24/01/98/707240198.db2.gz MYWNQBZGFXZDEG-OAGGEKHMSA-N 2 1 347.463 1.224 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000999689823 707245748 /nfs/dbraw/zinc/24/57/48/707245748.db2.gz RYZNOPOMXVDNTC-HSBZDZAISA-N 2 1 335.452 1.053 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999689823 707245751 /nfs/dbraw/zinc/24/57/51/707245751.db2.gz RYZNOPOMXVDNTC-HSBZDZAISA-N 2 1 335.452 1.053 20 0 EDADMP COc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000999713567 707250819 /nfs/dbraw/zinc/25/08/19/707250819.db2.gz LARSRPGPJYHCQS-MRXNPFEDSA-N 2 1 343.431 1.376 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033181617 707342224 /nfs/dbraw/zinc/34/22/24/707342224.db2.gz IHMMHHSNMBTMCO-MRXNPFEDSA-N 2 1 346.475 1.892 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033181617 707342228 /nfs/dbraw/zinc/34/22/28/707342228.db2.gz IHMMHHSNMBTMCO-MRXNPFEDSA-N 2 1 346.475 1.892 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001033183385 707359607 /nfs/dbraw/zinc/35/96/07/707359607.db2.gz XSCJIEXBZPEKPK-QZTJIDSGSA-N 2 1 349.519 1.822 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946742936 707363948 /nfs/dbraw/zinc/36/39/48/707363948.db2.gz KBKAZFMUAZPMJK-IYBDPMFKSA-N 2 1 349.475 1.508 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946743438 707407432 /nfs/dbraw/zinc/40/74/32/707407432.db2.gz VFRWGLPACSTHLS-IYBDPMFKSA-N 2 1 349.475 1.772 20 0 EDADMP CCCCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000999838889 707411256 /nfs/dbraw/zinc/41/12/56/707411256.db2.gz YKNCVOXHYLJJCB-NFOMZHRRSA-N 2 1 349.479 1.443 20 0 EDADMP CCCCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999838889 707411260 /nfs/dbraw/zinc/41/12/60/707411260.db2.gz YKNCVOXHYLJJCB-NFOMZHRRSA-N 2 1 349.479 1.443 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3CC(F)(F)C3)C2)O1 ZINC001033197407 707416011 /nfs/dbraw/zinc/41/60/11/707416011.db2.gz PWLVUIQRRDOTJG-VHDGCEQUSA-N 2 1 345.434 1.284 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3CC(F)(F)C3)C2)O1 ZINC001033197407 707416016 /nfs/dbraw/zinc/41/60/16/707416016.db2.gz PWLVUIQRRDOTJG-VHDGCEQUSA-N 2 1 345.434 1.284 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CC(F)(F)C3)C2)O1 ZINC001033197407 707416019 /nfs/dbraw/zinc/41/60/19/707416019.db2.gz PWLVUIQRRDOTJG-VHDGCEQUSA-N 2 1 345.434 1.284 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CC(F)(F)C3)C2)O1 ZINC001033197407 707416021 /nfs/dbraw/zinc/41/60/21/707416021.db2.gz PWLVUIQRRDOTJG-VHDGCEQUSA-N 2 1 345.434 1.284 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)n1 ZINC001033194039 707430423 /nfs/dbraw/zinc/43/04/23/707430423.db2.gz AQSHSULFEOIQCP-JKSUJKDBSA-N 2 1 349.479 1.328 20 0 EDADMP Cc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)c1 ZINC001033199693 707452455 /nfs/dbraw/zinc/45/24/55/707452455.db2.gz WQNDXEJJZJGOHP-QZTJIDSGSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)c1 ZINC001033199693 707452459 /nfs/dbraw/zinc/45/24/59/707452459.db2.gz WQNDXEJJZJGOHP-QZTJIDSGSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001033199693 707452461 /nfs/dbraw/zinc/45/24/61/707452461.db2.gz WQNDXEJJZJGOHP-QZTJIDSGSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001033199693 707452464 /nfs/dbraw/zinc/45/24/64/707452464.db2.gz WQNDXEJJZJGOHP-QZTJIDSGSA-N 2 1 330.476 1.907 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC000999828699 707456704 /nfs/dbraw/zinc/45/67/04/707456704.db2.gz FEFMTVAAQZBNHK-WLYUNCDWSA-N 2 1 347.463 1.368 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC000999828699 707456706 /nfs/dbraw/zinc/45/67/06/707456706.db2.gz FEFMTVAAQZBNHK-WLYUNCDWSA-N 2 1 347.463 1.368 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000999828947 707457896 /nfs/dbraw/zinc/45/78/96/707457896.db2.gz HNECANSUIGFBHU-SYJJWHGVSA-N 2 1 345.491 1.250 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999831254 707458434 /nfs/dbraw/zinc/45/84/34/707458434.db2.gz JULLZELZXJDKKX-FAEJEUNOSA-N 2 1 347.507 1.803 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000999835055 707468836 /nfs/dbraw/zinc/46/88/36/707468836.db2.gz CHUCXTYJWMXZCA-UHFFFAOYSA-N 2 1 345.447 1.830 20 0 EDADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC000999837130 707473561 /nfs/dbraw/zinc/47/35/61/707473561.db2.gz ODGIQTVXOKOFFV-AOCRQIFASA-N 2 1 330.476 1.729 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999886092 707475320 /nfs/dbraw/zinc/47/53/20/707475320.db2.gz VKWMBKAJUNMZQI-OAHLLOKOSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccsc3)C2)C1 ZINC000999860941 707497597 /nfs/dbraw/zinc/49/75/97/707497597.db2.gz GCNBANRPRAZDIA-UYSNPLJNSA-N 2 1 337.489 1.548 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccsc3)C2)C1 ZINC000999860941 707497599 /nfs/dbraw/zinc/49/75/99/707497599.db2.gz GCNBANRPRAZDIA-UYSNPLJNSA-N 2 1 337.489 1.548 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001000106943 707700648 /nfs/dbraw/zinc/70/06/48/707700648.db2.gz VQNCXIMTZPFLFE-NVXWUHKLSA-N 2 1 335.492 1.478 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)cn1 ZINC001033420389 707830946 /nfs/dbraw/zinc/83/09/46/707830946.db2.gz OUBORPJTZBTDNE-FUHWJXTLSA-N 2 1 347.507 1.320 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC001033420389 707830951 /nfs/dbraw/zinc/83/09/51/707830951.db2.gz OUBORPJTZBTDNE-FUHWJXTLSA-N 2 1 347.507 1.320 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)cn1 ZINC001033420389 707830952 /nfs/dbraw/zinc/83/09/52/707830952.db2.gz OUBORPJTZBTDNE-FUHWJXTLSA-N 2 1 347.507 1.320 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033227215 707842507 /nfs/dbraw/zinc/84/25/07/707842507.db2.gz BWPRHJOGKPNYPU-QGZVFWFLSA-N 2 1 328.460 1.743 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033227215 707842510 /nfs/dbraw/zinc/84/25/10/707842510.db2.gz BWPRHJOGKPNYPU-QGZVFWFLSA-N 2 1 328.460 1.743 20 0 EDADMP Cc1nc(C)c(C)c(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001061605083 707862969 /nfs/dbraw/zinc/86/29/69/707862969.db2.gz WAEGCEHXTHVSFX-JKSUJKDBSA-N 2 1 331.464 1.296 20 0 EDADMP C[C@H]([NH2+]Cc1ncccn1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004993956 707878054 /nfs/dbraw/zinc/87/80/54/707878054.db2.gz SZWOBGQQILRMFT-HOTGVXAUSA-N 2 1 331.464 1.432 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)ncn1 ZINC001033474676 707963840 /nfs/dbraw/zinc/96/38/40/707963840.db2.gz JJGNVNDMHMSPSP-GOSISDBHSA-N 2 1 345.491 1.550 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)ncn1 ZINC001033474676 707963842 /nfs/dbraw/zinc/96/38/42/707963842.db2.gz JJGNVNDMHMSPSP-GOSISDBHSA-N 2 1 345.491 1.550 20 0 EDADMP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000921748162 707967588 /nfs/dbraw/zinc/96/75/88/707967588.db2.gz SZDYDPHZPSOSPT-MANSERQUSA-N 2 1 337.508 1.188 20 0 EDADMP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000921748167 707967820 /nfs/dbraw/zinc/96/78/20/707967820.db2.gz SZDYDPHZPSOSPT-MKXGPGLRSA-N 2 1 337.508 1.188 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C/C=C/c2ccccc2)C1 ZINC001032781755 707970623 /nfs/dbraw/zinc/97/06/23/707970623.db2.gz HPDMNFJRQWHBAK-UJXMIOSPSA-N 2 1 325.456 1.937 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C/C=C/c2ccccc2)C1 ZINC001032781755 707970624 /nfs/dbraw/zinc/97/06/24/707970624.db2.gz HPDMNFJRQWHBAK-UJXMIOSPSA-N 2 1 325.456 1.937 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C/C=C/c2ccccc2)C1 ZINC001032781755 707970627 /nfs/dbraw/zinc/97/06/27/707970627.db2.gz HPDMNFJRQWHBAK-UJXMIOSPSA-N 2 1 325.456 1.937 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C/c2ccccc2)C1 ZINC001032781755 707970629 /nfs/dbraw/zinc/97/06/29/707970629.db2.gz HPDMNFJRQWHBAK-UJXMIOSPSA-N 2 1 325.456 1.937 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C/c2ccccc2)C1 ZINC001032781755 707970631 /nfs/dbraw/zinc/97/06/31/707970631.db2.gz HPDMNFJRQWHBAK-UJXMIOSPSA-N 2 1 325.456 1.937 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc3c(c2)COC3)C1 ZINC001032781812 707970948 /nfs/dbraw/zinc/97/09/48/707970948.db2.gz JNXKDTGYKKWITC-MNEFBYGVSA-N 2 1 341.455 1.454 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc3c(c2)COC3)C1 ZINC001032781812 707970950 /nfs/dbraw/zinc/97/09/50/707970950.db2.gz JNXKDTGYKKWITC-MNEFBYGVSA-N 2 1 341.455 1.454 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc3c(c2)COC3)C1 ZINC001032781812 707970953 /nfs/dbraw/zinc/97/09/53/707970953.db2.gz JNXKDTGYKKWITC-MNEFBYGVSA-N 2 1 341.455 1.454 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc3c(c2)COC3)C1 ZINC001032781812 707970956 /nfs/dbraw/zinc/97/09/56/707970956.db2.gz JNXKDTGYKKWITC-MNEFBYGVSA-N 2 1 341.455 1.454 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033506431 707976520 /nfs/dbraw/zinc/97/65/20/707976520.db2.gz YZDAJWAYZTXRNX-CRAIPNDOSA-N 2 1 333.476 1.929 20 0 EDADMP C[C@H](F)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490622 707985140 /nfs/dbraw/zinc/98/51/40/707985140.db2.gz UXJBVIVFDFQYGH-GOEBONIOSA-N 2 1 339.459 1.339 20 0 EDADMP CCN1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCC2)C1 ZINC001032791718 708036226 /nfs/dbraw/zinc/03/62/26/708036226.db2.gz ACVRZPMVCISMKR-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCC2)C1 ZINC001032791718 708036229 /nfs/dbraw/zinc/03/62/29/708036229.db2.gz ACVRZPMVCISMKR-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCC2)C1 ZINC001032791718 708036232 /nfs/dbraw/zinc/03/62/32/708036232.db2.gz ACVRZPMVCISMKR-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCC2)C1 ZINC001032791718 708036236 /nfs/dbraw/zinc/03/62/36/708036236.db2.gz ACVRZPMVCISMKR-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCCCO1 ZINC001032801061 708082233 /nfs/dbraw/zinc/08/22/33/708082233.db2.gz IRTCELREIWQMOI-BZSNNMDCSA-N 2 1 335.492 1.717 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CCc3ccnn3C)C2)CC1 ZINC001033532941 708156396 /nfs/dbraw/zinc/15/63/96/708156396.db2.gz VWNDDRARNNFHCC-SFHVURJKSA-N 2 1 347.507 1.227 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001005210537 708236699 /nfs/dbraw/zinc/23/66/99/708236699.db2.gz VBSPZZBVRJBKLH-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001005210537 708236702 /nfs/dbraw/zinc/23/67/02/708236702.db2.gz VBSPZZBVRJBKLH-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1cc(NC[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc(C)n1 ZINC001061021697 708245862 /nfs/dbraw/zinc/24/58/62/708245862.db2.gz LCOSHAHUWLDKJC-FVQBIDKESA-N 2 1 347.463 1.073 20 0 EDADMP Cc1cc(NC[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc(C)n1 ZINC001061021697 708245863 /nfs/dbraw/zinc/24/58/63/708245863.db2.gz LCOSHAHUWLDKJC-FVQBIDKESA-N 2 1 347.463 1.073 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033571407 708274531 /nfs/dbraw/zinc/27/45/31/708274531.db2.gz NVOGOSSFEHWFQY-QAPCUYQASA-N 2 1 337.508 1.676 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001001835624 708340152 /nfs/dbraw/zinc/34/01/52/708340152.db2.gz YLGZUIBDEQPMGK-KBXCAEBGSA-N 2 1 348.466 1.747 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001001835624 708340155 /nfs/dbraw/zinc/34/01/55/708340155.db2.gz YLGZUIBDEQPMGK-KBXCAEBGSA-N 2 1 348.466 1.747 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)n1 ZINC001033658805 708469825 /nfs/dbraw/zinc/46/98/25/708469825.db2.gz UQMSELYDKBRVEX-QGZVFWFLSA-N 2 1 333.480 1.128 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](CCn2cccn2)CC1 ZINC001002157604 708672042 /nfs/dbraw/zinc/67/20/42/708672042.db2.gz KSKPKIPDRBXPCI-GOSISDBHSA-N 2 1 347.507 1.586 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033830615 708852082 /nfs/dbraw/zinc/85/20/82/708852082.db2.gz LNAFBUPAMNVVJJ-QZTJIDSGSA-N 2 1 345.491 1.148 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001033833883 708860064 /nfs/dbraw/zinc/86/00/64/708860064.db2.gz LWFIKYIMDQPFML-BPQIPLTHSA-N 2 1 347.507 1.226 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033833883 708860066 /nfs/dbraw/zinc/86/00/66/708860066.db2.gz LWFIKYIMDQPFML-BPQIPLTHSA-N 2 1 347.507 1.226 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033833883 708860068 /nfs/dbraw/zinc/86/00/68/708860068.db2.gz LWFIKYIMDQPFML-BPQIPLTHSA-N 2 1 347.507 1.226 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033839726 708870127 /nfs/dbraw/zinc/87/01/27/708870127.db2.gz UWZJZFNWWJQHKY-BPQIPLTHSA-N 2 1 337.508 1.676 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033839726 708870131 /nfs/dbraw/zinc/87/01/31/708870131.db2.gz UWZJZFNWWJQHKY-BPQIPLTHSA-N 2 1 337.508 1.676 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033839726 708870135 /nfs/dbraw/zinc/87/01/35/708870135.db2.gz UWZJZFNWWJQHKY-BPQIPLTHSA-N 2 1 337.508 1.676 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001033855273 708917390 /nfs/dbraw/zinc/91/73/90/708917390.db2.gz IYUJPLILGZPECK-DLBZAZTESA-N 2 1 325.497 1.534 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CC[NH+](CCOC)C1 ZINC001033855273 708917393 /nfs/dbraw/zinc/91/73/93/708917393.db2.gz IYUJPLILGZPECK-DLBZAZTESA-N 2 1 325.497 1.534 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CC[NH+](CCOC)C1 ZINC001033855273 708917396 /nfs/dbraw/zinc/91/73/96/708917396.db2.gz IYUJPLILGZPECK-DLBZAZTESA-N 2 1 325.497 1.534 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](C[C@@H](C)OC)CC2)CC[N@H+]1C ZINC001005416770 708947792 /nfs/dbraw/zinc/94/77/92/708947792.db2.gz YZBWNVSUMJDCRS-HYVNUMGLSA-N 2 1 325.497 1.674 20 0 EDADMP Cc1cc(N2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC001061705448 708969185 /nfs/dbraw/zinc/96/91/85/708969185.db2.gz CECXNKLSGUNNRD-UAGQMJEPSA-N 2 1 345.491 1.766 20 0 EDADMP Cc1cc(N2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC001061705448 708969187 /nfs/dbraw/zinc/96/91/87/708969187.db2.gz CECXNKLSGUNNRD-UAGQMJEPSA-N 2 1 345.491 1.766 20 0 EDADMP CN(C)c1cc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)ccn1 ZINC001002480570 709030783 /nfs/dbraw/zinc/03/07/83/709030783.db2.gz NLRVVDJZSASEAJ-KRWDZBQOSA-N 2 1 345.491 1.322 20 0 EDADMP Cc1cccc(C)c1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002523283 709077971 /nfs/dbraw/zinc/07/79/71/709077971.db2.gz NJXFUIVTAKYHMQ-LJQANCHMSA-N 2 1 345.487 1.715 20 0 EDADMP Cc1cccc(C)c1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002523283 709077975 /nfs/dbraw/zinc/07/79/75/709077975.db2.gz NJXFUIVTAKYHMQ-LJQANCHMSA-N 2 1 345.487 1.715 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCCO)C2)C1 ZINC001033932058 709099091 /nfs/dbraw/zinc/09/90/91/709099091.db2.gz GCORHASQVGCTQJ-SJORKVTESA-N 2 1 325.497 1.414 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001033932058 709099093 /nfs/dbraw/zinc/09/90/93/709099093.db2.gz GCORHASQVGCTQJ-SJORKVTESA-N 2 1 325.497 1.414 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001033932058 709099095 /nfs/dbraw/zinc/09/90/95/709099095.db2.gz GCORHASQVGCTQJ-SJORKVTESA-N 2 1 325.497 1.414 20 0 EDADMP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033983578 709192758 /nfs/dbraw/zinc/19/27/58/709192758.db2.gz UVKULYZNZNQIHI-KRWDZBQOSA-N 2 1 333.480 1.391 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001034042307 709292477 /nfs/dbraw/zinc/29/24/77/709292477.db2.gz MYEQLMFFTWSGKD-DOTOQJQBSA-N 2 1 334.439 1.595 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001034042307 709292478 /nfs/dbraw/zinc/29/24/78/709292478.db2.gz MYEQLMFFTWSGKD-DOTOQJQBSA-N 2 1 334.439 1.595 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001034042307 709292479 /nfs/dbraw/zinc/29/24/79/709292479.db2.gz MYEQLMFFTWSGKD-DOTOQJQBSA-N 2 1 334.439 1.595 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001034042307 709292480 /nfs/dbraw/zinc/29/24/80/709292480.db2.gz MYEQLMFFTWSGKD-DOTOQJQBSA-N 2 1 334.439 1.595 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC001034043905 709295355 /nfs/dbraw/zinc/29/53/55/709295355.db2.gz YEEUOUDUJJYEJG-WMZOPIPTSA-N 2 1 330.476 1.765 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CCCF)C[C@H]2CC1 ZINC000946824185 709328252 /nfs/dbraw/zinc/32/82/52/709328252.db2.gz GEYGFEBHSVGFIF-CALCHBBNSA-N 2 1 341.471 1.239 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]2CC1 ZINC000946824185 709328254 /nfs/dbraw/zinc/32/82/54/709328254.db2.gz GEYGFEBHSVGFIF-CALCHBBNSA-N 2 1 341.471 1.239 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCO)CC2)C1 ZINC000948711023 709374028 /nfs/dbraw/zinc/37/40/28/709374028.db2.gz KHHFAWFYUYJSTF-IRXDYDNUSA-N 2 1 325.497 1.414 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CCO)CC2)C1 ZINC000948711023 709374029 /nfs/dbraw/zinc/37/40/29/709374029.db2.gz KHHFAWFYUYJSTF-IRXDYDNUSA-N 2 1 325.497 1.414 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CCO)CC2)C1 ZINC000948711023 709374030 /nfs/dbraw/zinc/37/40/30/709374030.db2.gz KHHFAWFYUYJSTF-IRXDYDNUSA-N 2 1 325.497 1.414 20 0 EDADMP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001002808664 709410947 /nfs/dbraw/zinc/41/09/47/709410947.db2.gz FBIFQHRRTALRDQ-HKUYNNGSSA-N 2 1 349.519 1.868 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccsc2)CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001002873357 709493912 /nfs/dbraw/zinc/49/39/12/709493912.db2.gz BFAZWPJSCZALJY-DLBZAZTESA-N 2 1 349.500 1.692 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034204974 709527419 /nfs/dbraw/zinc/52/74/19/709527419.db2.gz RSJQPGNVSUDZCP-FUHWJXTLSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034204974 709527420 /nfs/dbraw/zinc/52/74/20/709527420.db2.gz RSJQPGNVSUDZCP-FUHWJXTLSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccnn2C)C1 ZINC001034204974 709527421 /nfs/dbraw/zinc/52/74/21/709527421.db2.gz RSJQPGNVSUDZCP-FUHWJXTLSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccnn2C)C1 ZINC001034204974 709527422 /nfs/dbraw/zinc/52/74/22/709527422.db2.gz RSJQPGNVSUDZCP-FUHWJXTLSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCCC[NH+](CCCO)C1 ZINC001034248530 709609885 /nfs/dbraw/zinc/60/98/85/709609885.db2.gz DCLAALZUNJVFPD-IRXDYDNUSA-N 2 1 325.497 1.602 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034248530 709609887 /nfs/dbraw/zinc/60/98/87/709609887.db2.gz DCLAALZUNJVFPD-IRXDYDNUSA-N 2 1 325.497 1.602 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCCC[N@@H+](CCCO)C1 ZINC001034248530 709609888 /nfs/dbraw/zinc/60/98/88/709609888.db2.gz DCLAALZUNJVFPD-IRXDYDNUSA-N 2 1 325.497 1.602 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001034309933 709752584 /nfs/dbraw/zinc/75/25/84/709752584.db2.gz RALHTIBODJYREQ-IRXDYDNUSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001034309933 709752586 /nfs/dbraw/zinc/75/25/86/709752586.db2.gz RALHTIBODJYREQ-IRXDYDNUSA-N 2 1 334.464 1.731 20 0 EDADMP C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034311404 709755616 /nfs/dbraw/zinc/75/56/16/709755616.db2.gz GFYGVFAGGVAVOL-LSDHHAIUSA-N 2 1 334.464 1.113 20 0 EDADMP C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034311404 709755619 /nfs/dbraw/zinc/75/56/19/709755619.db2.gz GFYGVFAGGVAVOL-LSDHHAIUSA-N 2 1 334.464 1.113 20 0 EDADMP CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340535 709804503 /nfs/dbraw/zinc/80/45/03/709804503.db2.gz QRQMOXBYLQJYGO-GJZGRUSLSA-N 2 1 338.496 1.095 20 0 EDADMP CC[C@@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340535 709804508 /nfs/dbraw/zinc/80/45/08/709804508.db2.gz QRQMOXBYLQJYGO-GJZGRUSLSA-N 2 1 338.496 1.095 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCOC3CCC3)C2)CC1 ZINC001034387423 709916867 /nfs/dbraw/zinc/91/68/67/709916867.db2.gz YQYZMSDMXBAIJP-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034393876 709928361 /nfs/dbraw/zinc/92/83/61/709928361.db2.gz GYJBUJWKCZTLBY-ZBFHGGJFSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001034393876 709928364 /nfs/dbraw/zinc/92/83/64/709928364.db2.gz GYJBUJWKCZTLBY-ZBFHGGJFSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034393876 709928367 /nfs/dbraw/zinc/92/83/67/709928367.db2.gz GYJBUJWKCZTLBY-ZBFHGGJFSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034393876 709928370 /nfs/dbraw/zinc/92/83/70/709928370.db2.gz GYJBUJWKCZTLBY-ZBFHGGJFSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3cncs3)C2)C1 ZINC001034393651 709928454 /nfs/dbraw/zinc/92/84/54/709928454.db2.gz FZBBQGDXSQWDRA-HUUCEWRRSA-N 2 1 336.505 1.956 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3cncs3)C2)C1 ZINC001034393651 709928457 /nfs/dbraw/zinc/92/84/57/709928457.db2.gz FZBBQGDXSQWDRA-HUUCEWRRSA-N 2 1 336.505 1.956 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](Cc3cncs3)C2)C1 ZINC001034393651 709928460 /nfs/dbraw/zinc/92/84/60/709928460.db2.gz FZBBQGDXSQWDRA-HUUCEWRRSA-N 2 1 336.505 1.956 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3cncs3)C2)C1 ZINC001034393651 709928462 /nfs/dbraw/zinc/92/84/62/709928462.db2.gz FZBBQGDXSQWDRA-HUUCEWRRSA-N 2 1 336.505 1.956 20 0 EDADMP COCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394738 709931299 /nfs/dbraw/zinc/93/12/99/709931299.db2.gz QHSLRFKTILNYKF-CVEARBPZSA-N 2 1 334.464 1.371 20 0 EDADMP COCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394738 709931302 /nfs/dbraw/zinc/93/13/02/709931302.db2.gz QHSLRFKTILNYKF-CVEARBPZSA-N 2 1 334.464 1.371 20 0 EDADMP CO[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432645 710002453 /nfs/dbraw/zinc/00/24/53/710002453.db2.gz XJTIBWSLYCZGQC-WBVHZDCISA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001003230877 710152225 /nfs/dbraw/zinc/15/22/25/710152225.db2.gz SJUYCVVIHUXHBD-GOSISDBHSA-N 2 1 347.507 1.584 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)s1 ZINC001034524206 710172950 /nfs/dbraw/zinc/17/29/50/710172950.db2.gz DZBGEXZQVAUISG-LSDHHAIUSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)s1 ZINC001034524206 710172951 /nfs/dbraw/zinc/17/29/51/710172951.db2.gz DZBGEXZQVAUISG-LSDHHAIUSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)s1 ZINC001034524206 710172954 /nfs/dbraw/zinc/17/29/54/710172954.db2.gz DZBGEXZQVAUISG-LSDHHAIUSA-N 2 1 336.505 1.874 20 0 EDADMP CCn1nnc(C)c1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034524827 710173618 /nfs/dbraw/zinc/17/36/18/710173618.db2.gz IHNDNLUUJZRBCF-HOTGVXAUSA-N 2 1 348.495 1.029 20 0 EDADMP CCn1nnc(C)c1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034524827 710173624 /nfs/dbraw/zinc/17/36/24/710173624.db2.gz IHNDNLUUJZRBCF-HOTGVXAUSA-N 2 1 348.495 1.029 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034524827 710173627 /nfs/dbraw/zinc/17/36/27/710173627.db2.gz IHNDNLUUJZRBCF-HOTGVXAUSA-N 2 1 348.495 1.029 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034524827 710173630 /nfs/dbraw/zinc/17/36/30/710173630.db2.gz IHNDNLUUJZRBCF-HOTGVXAUSA-N 2 1 348.495 1.029 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCOc3ccccc3)C2)C1 ZINC001034526026 710177772 /nfs/dbraw/zinc/17/77/72/710177772.db2.gz RUVDPLPARJBPBL-QZTJIDSGSA-N 2 1 345.487 1.988 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCOc3ccccc3)C2)C1 ZINC001034526026 710177775 /nfs/dbraw/zinc/17/77/75/710177775.db2.gz RUVDPLPARJBPBL-QZTJIDSGSA-N 2 1 345.487 1.988 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCOc3ccccc3)C2)C1 ZINC001034526026 710177777 /nfs/dbraw/zinc/17/77/77/710177777.db2.gz RUVDPLPARJBPBL-QZTJIDSGSA-N 2 1 345.487 1.988 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCc3ccccc3)CC2)C1 ZINC001034617090 710292287 /nfs/dbraw/zinc/29/22/87/710292287.db2.gz HGHQAXQPNCXKJG-GUDVDZBRSA-N 2 1 345.487 1.577 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCc3ccccc3)CC2)C1 ZINC001034617090 710292291 /nfs/dbraw/zinc/29/22/91/710292291.db2.gz HGHQAXQPNCXKJG-GUDVDZBRSA-N 2 1 345.487 1.577 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001034646819 710323120 /nfs/dbraw/zinc/32/31/20/710323120.db2.gz WTUKHODBBSXMSC-ULQDDVLXSA-N 2 1 348.495 1.168 20 0 EDADMP Cn1nc2c(c1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)COCC2 ZINC000922211531 710446846 /nfs/dbraw/zinc/44/68/46/710446846.db2.gz GCLWRNDZFWIYRO-SJORKVTESA-N 2 1 340.471 1.928 20 0 EDADMP Cn1nc2c(c1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)COCC2 ZINC000922211531 710446847 /nfs/dbraw/zinc/44/68/47/710446847.db2.gz GCLWRNDZFWIYRO-SJORKVTESA-N 2 1 340.471 1.928 20 0 EDADMP Cc1cncc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)c1 ZINC001003626907 710451007 /nfs/dbraw/zinc/45/10/07/710451007.db2.gz XGNBOSLMFRZVRJ-OAHLLOKOSA-N 2 1 330.476 1.812 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001003626114 710455357 /nfs/dbraw/zinc/45/53/57/710455357.db2.gz MGOKDYXUPYUUSH-LSDHHAIUSA-N 2 1 331.464 1.460 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001003626114 710455358 /nfs/dbraw/zinc/45/53/58/710455358.db2.gz MGOKDYXUPYUUSH-LSDHHAIUSA-N 2 1 331.464 1.460 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC2CC[NH+](CCCO)CC2)C1 ZINC001003628467 710458040 /nfs/dbraw/zinc/45/80/40/710458040.db2.gz QFMLMSBOVNANAW-QGZVFWFLSA-N 2 1 329.460 1.162 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003628574 710458547 /nfs/dbraw/zinc/45/85/47/710458547.db2.gz RLZQTBCPWKXLRY-AWEZNQCLSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001003628574 710458548 /nfs/dbraw/zinc/45/85/48/710458548.db2.gz RLZQTBCPWKXLRY-AWEZNQCLSA-N 2 1 331.464 1.350 20 0 EDADMP CCn1cc(CC[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC001003632802 710461379 /nfs/dbraw/zinc/46/13/79/710461379.db2.gz CIXQUAKKURLQFE-YJBOKZPZSA-N 2 1 347.507 1.224 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034672578 710620731 /nfs/dbraw/zinc/62/07/31/710620731.db2.gz NZHKOYRXKSQPSI-BZSNNMDCSA-N 2 1 337.508 1.914 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3)CC2)O1 ZINC001034675931 710633393 /nfs/dbraw/zinc/63/33/93/710633393.db2.gz TZMMIOPEVCYCBZ-NXWXRZEISA-N 2 1 345.487 1.923 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3)CC2)O1 ZINC001034675931 710633398 /nfs/dbraw/zinc/63/33/98/710633398.db2.gz TZMMIOPEVCYCBZ-NXWXRZEISA-N 2 1 345.487 1.923 20 0 EDADMP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001005587592 710635097 /nfs/dbraw/zinc/63/50/97/710635097.db2.gz FYZUJCYEITWWAR-GOSISDBHSA-N 2 1 345.491 1.692 20 0 EDADMP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001005587592 710635099 /nfs/dbraw/zinc/63/50/99/710635099.db2.gz FYZUJCYEITWWAR-GOSISDBHSA-N 2 1 345.491 1.692 20 0 EDADMP CN(C)c1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032944477 710920754 /nfs/dbraw/zinc/92/07/54/710920754.db2.gz LBGXFEZQIMRBPL-RBUKOAKNSA-N 2 1 344.503 1.880 20 0 EDADMP CN(C)c1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001032944477 710920760 /nfs/dbraw/zinc/92/07/60/710920760.db2.gz LBGXFEZQIMRBPL-RBUKOAKNSA-N 2 1 344.503 1.880 20 0 EDADMP CN(C)c1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001032944477 710920765 /nfs/dbraw/zinc/92/07/65/710920765.db2.gz LBGXFEZQIMRBPL-RBUKOAKNSA-N 2 1 344.503 1.880 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034736736 710924321 /nfs/dbraw/zinc/92/43/21/710924321.db2.gz AXQLDCQVYZZHKO-ANQUJSFKSA-N 2 1 333.480 1.135 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC001034737186 710949265 /nfs/dbraw/zinc/94/92/65/710949265.db2.gz HGCHUMDVQGNDMI-DDBAPUKQSA-N 2 1 330.476 1.796 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001032960234 710968636 /nfs/dbraw/zinc/96/86/36/710968636.db2.gz PPWZHKCOBREFII-IAGOWNOFSA-N 2 1 333.480 1.072 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001032960234 710968639 /nfs/dbraw/zinc/96/86/39/710968639.db2.gz PPWZHKCOBREFII-IAGOWNOFSA-N 2 1 333.480 1.072 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001032960234 710968640 /nfs/dbraw/zinc/96/86/40/710968640.db2.gz PPWZHKCOBREFII-IAGOWNOFSA-N 2 1 333.480 1.072 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c(C)n1 ZINC001032967244 711026770 /nfs/dbraw/zinc/02/67/70/711026770.db2.gz HRFCQEVWPREKJF-ZWKOTPCHSA-N 2 1 330.476 1.825 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)c(C)n1 ZINC001032967244 711026775 /nfs/dbraw/zinc/02/67/75/711026775.db2.gz HRFCQEVWPREKJF-ZWKOTPCHSA-N 2 1 330.476 1.825 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c(C)n1 ZINC001032967244 711026779 /nfs/dbraw/zinc/02/67/79/711026779.db2.gz HRFCQEVWPREKJF-ZWKOTPCHSA-N 2 1 330.476 1.825 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001032982791 711083854 /nfs/dbraw/zinc/08/38/54/711083854.db2.gz YASSRWCSZPVGRG-ROUUACIJSA-N 2 1 349.519 1.820 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001032982791 711083860 /nfs/dbraw/zinc/08/38/60/711083860.db2.gz YASSRWCSZPVGRG-ROUUACIJSA-N 2 1 349.519 1.820 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001032982791 711083863 /nfs/dbraw/zinc/08/38/63/711083863.db2.gz YASSRWCSZPVGRG-ROUUACIJSA-N 2 1 349.519 1.820 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001032982791 711083867 /nfs/dbraw/zinc/08/38/67/711083867.db2.gz YASSRWCSZPVGRG-ROUUACIJSA-N 2 1 349.519 1.820 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034795444 711113705 /nfs/dbraw/zinc/11/37/05/711113705.db2.gz FJNKBCPBBNAXIE-DZKIICNBSA-N 2 1 335.452 1.461 20 0 EDADMP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1)C(N)=O ZINC001034795936 711115652 /nfs/dbraw/zinc/11/56/52/711115652.db2.gz YSPITEHSZQMYDB-FPCVCCKLSA-N 2 1 338.496 1.142 20 0 EDADMP Cc1nnsc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034792129 711118297 /nfs/dbraw/zinc/11/82/97/711118297.db2.gz FSFNNFBBNZZEDK-MGPQQGTHSA-N 2 1 337.493 1.315 20 0 EDADMP CCc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001034793361 711123744 /nfs/dbraw/zinc/12/37/44/711123744.db2.gz YFIHWOOCVPEXBF-AJNGGQMLSA-N 2 1 348.495 1.397 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003967624 711137600 /nfs/dbraw/zinc/13/76/00/711137600.db2.gz NAKQEUFBKCPUTR-NVXWUHKLSA-N 2 1 347.507 1.621 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001003967628 711137796 /nfs/dbraw/zinc/13/77/96/711137796.db2.gz NAKQEUFBKCPUTR-WBVHZDCISA-N 2 1 347.507 1.621 20 0 EDADMP COc1cc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)on1 ZINC001003976208 711175532 /nfs/dbraw/zinc/17/55/32/711175532.db2.gz OTFAXCZCOZEPHT-ZDUSSCGKSA-N 2 1 336.436 1.106 20 0 EDADMP COc1cc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)on1 ZINC001003976208 711175535 /nfs/dbraw/zinc/17/55/35/711175535.db2.gz OTFAXCZCOZEPHT-ZDUSSCGKSA-N 2 1 336.436 1.106 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]C[C@H]2CCCOC2)cc1 ZINC001034811813 711177163 /nfs/dbraw/zinc/17/71/63/711177163.db2.gz XQSWHCPRSQAVST-MOPGFXCFSA-N 2 1 345.487 1.913 20 0 EDADMP CC[C@H](C[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1)OC ZINC001003983980 711184552 /nfs/dbraw/zinc/18/45/52/711184552.db2.gz XQXIXTAYFYQFJT-OAHLLOKOSA-N 2 1 334.464 1.767 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]C[C@@H]2CCOC2)cc1 ZINC001034821214 711222211 /nfs/dbraw/zinc/22/22/11/711222211.db2.gz RXQKDCKVMKCLKU-RBUKOAKNSA-N 2 1 345.487 1.913 20 0 EDADMP Cn1nccc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001034830764 711236981 /nfs/dbraw/zinc/23/69/81/711236981.db2.gz CUYYKHLAKIEBOQ-KRWDZBQOSA-N 2 1 341.459 1.278 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(C[NH2+]CC3CC3)cc2)C1 ZINC001034832052 711238563 /nfs/dbraw/zinc/23/85/63/711238563.db2.gz LSLRWXRQGDFLOS-GOSISDBHSA-N 2 1 331.460 1.523 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(C[NH2+]CC3CC3)cc2)C1 ZINC001034832052 711238565 /nfs/dbraw/zinc/23/85/65/711238565.db2.gz LSLRWXRQGDFLOS-GOSISDBHSA-N 2 1 331.460 1.523 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)n1C1CC1 ZINC001034881910 711282678 /nfs/dbraw/zinc/28/26/78/711282678.db2.gz PFVZIURXLDTBHE-CVEARBPZSA-N 2 1 346.479 1.096 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)n1C1CC1 ZINC001034881910 711282682 /nfs/dbraw/zinc/28/26/82/711282682.db2.gz PFVZIURXLDTBHE-CVEARBPZSA-N 2 1 346.479 1.096 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)co1 ZINC001034942374 711395146 /nfs/dbraw/zinc/39/51/46/711395146.db2.gz WNOLILSSZRFVIL-SJORKVTESA-N 2 1 332.448 1.405 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)nc1C(F)F)C2 ZINC000922387804 711427834 /nfs/dbraw/zinc/42/78/34/711427834.db2.gz BAVGCSGFPHEBAJ-LNCBFAARSA-N 2 1 342.434 1.927 20 0 EDADMP CC(C)n1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nn1 ZINC001034940094 711443392 /nfs/dbraw/zinc/44/33/92/711443392.db2.gz XGXGOMQHYPPRBF-DJIMGWMZSA-N 2 1 348.495 1.280 20 0 EDADMP CC(C)n1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nn1 ZINC001034940094 711443393 /nfs/dbraw/zinc/44/33/93/711443393.db2.gz XGXGOMQHYPPRBF-DJIMGWMZSA-N 2 1 348.495 1.280 20 0 EDADMP O=C(N1CCC[C@@H]1C[NH2+]Cc1nncs1)C12CCC[NH+](CCC1)C2 ZINC001034969710 711449138 /nfs/dbraw/zinc/44/91/38/711449138.db2.gz KVCWOVUKYQATOV-CQSZACIVSA-N 2 1 349.504 1.495 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC001004142917 711542909 /nfs/dbraw/zinc/54/29/09/711542909.db2.gz KVWBPSYUAXRIRL-AWEZNQCLSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004145754 711555601 /nfs/dbraw/zinc/55/56/01/711555601.db2.gz TYGMCXZEKSILIX-CQSZACIVSA-N 2 1 336.505 1.792 20 0 EDADMP O=C(N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1)C12CCC[NH+](CCC1)C2 ZINC001004468995 711844929 /nfs/dbraw/zinc/84/49/29/711844929.db2.gz KKXSUVCXVCBYGK-SFHVURJKSA-N 2 1 349.519 1.558 20 0 EDADMP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033124427 711870783 /nfs/dbraw/zinc/87/07/83/711870783.db2.gz XEFNWSBOLHXUSN-DZGCQCFKSA-N 2 1 339.505 1.991 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033124427 711870785 /nfs/dbraw/zinc/87/07/85/711870785.db2.gz XEFNWSBOLHXUSN-DZGCQCFKSA-N 2 1 339.505 1.991 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033139349 711932767 /nfs/dbraw/zinc/93/27/67/711932767.db2.gz GIFDJNMZQNWRKC-MOPGFXCFSA-N 2 1 349.519 1.963 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033139349 711932770 /nfs/dbraw/zinc/93/27/70/711932770.db2.gz GIFDJNMZQNWRKC-MOPGFXCFSA-N 2 1 349.519 1.963 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033139349 711932772 /nfs/dbraw/zinc/93/27/72/711932772.db2.gz GIFDJNMZQNWRKC-MOPGFXCFSA-N 2 1 349.519 1.963 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033141364 711944130 /nfs/dbraw/zinc/94/41/30/711944130.db2.gz DZCBSXBOOUBEDD-WMZOPIPTSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033141364 711944133 /nfs/dbraw/zinc/94/41/33/711944133.db2.gz DZCBSXBOOUBEDD-WMZOPIPTSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033141364 711944136 /nfs/dbraw/zinc/94/41/36/711944136.db2.gz DZCBSXBOOUBEDD-WMZOPIPTSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033141364 711944138 /nfs/dbraw/zinc/94/41/38/711944138.db2.gz DZCBSXBOOUBEDD-WMZOPIPTSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144635 711968592 /nfs/dbraw/zinc/96/85/92/711968592.db2.gz ZVWVGGJQERGRTB-SJLPKXTDSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033144635 711968595 /nfs/dbraw/zinc/96/85/95/711968595.db2.gz ZVWVGGJQERGRTB-SJLPKXTDSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144635 711968598 /nfs/dbraw/zinc/96/85/98/711968598.db2.gz ZVWVGGJQERGRTB-SJLPKXTDSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144635 711968601 /nfs/dbraw/zinc/96/86/01/711968601.db2.gz ZVWVGGJQERGRTB-SJLPKXTDSA-N 2 1 348.491 1.994 20 0 EDADMP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1 ZINC000946638618 712108028 /nfs/dbraw/zinc/10/80/28/712108028.db2.gz URYLXFWYEVOPLP-OKZBNKHCSA-N 2 1 349.519 1.414 20 0 EDADMP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033151955 712140804 /nfs/dbraw/zinc/14/08/04/712140804.db2.gz MNQQSEWMPZPYAX-HZPDHXFCSA-N 2 1 342.447 1.190 20 0 EDADMP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033151955 712140806 /nfs/dbraw/zinc/14/08/06/712140806.db2.gz MNQQSEWMPZPYAX-HZPDHXFCSA-N 2 1 342.447 1.190 20 0 EDADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645033 712153670 /nfs/dbraw/zinc/15/36/70/712153670.db2.gz NGWGJTWZLYJOCU-WNRNVDISSA-N 2 1 337.508 1.676 20 0 EDADMP CO[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946645033 712153672 /nfs/dbraw/zinc/15/36/72/712153672.db2.gz NGWGJTWZLYJOCU-WNRNVDISSA-N 2 1 337.508 1.676 20 0 EDADMP CO[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC[C@@H]2C1 ZINC000946645033 712153674 /nfs/dbraw/zinc/15/36/74/712153674.db2.gz NGWGJTWZLYJOCU-WNRNVDISSA-N 2 1 337.508 1.676 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC000370536399 712330683 /nfs/dbraw/zinc/33/06/83/712330683.db2.gz SFJOAZQTHWQKFA-ZWKOTPCHSA-N 2 1 337.508 1.581 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC000173945624 231077774 /nfs/dbraw/zinc/07/77/74/231077774.db2.gz VNILBGFCLGFJFB-GOOCMWNKSA-N 2 1 334.468 1.582 20 0 EDADMP Cc1ncccc1C[NH2+]C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354923763 282194925 /nfs/dbraw/zinc/19/49/25/282194925.db2.gz NRBFWJMBIUDSSG-JKSUJKDBSA-N 2 1 344.438 1.953 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000173454510 282221230 /nfs/dbraw/zinc/22/12/30/282221230.db2.gz TWRCVBSMLAWEBI-IRXDYDNUSA-N 2 1 325.497 1.676 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000559368069 306254550 /nfs/dbraw/zinc/25/45/50/306254550.db2.gz UOXTVFLBFQXGOT-HNNXBMFYSA-N 2 1 342.447 1.533 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC000435509955 305141506 /nfs/dbraw/zinc/14/15/06/305141506.db2.gz DVJXUWJNMVOMDB-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066895203 215092638 /nfs/dbraw/zinc/09/26/38/215092638.db2.gz AAQOAPWXXZWKJE-XHSDSOJGSA-N 2 1 327.513 1.824 20 0 EDADMP CC(C)[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066895203 215092639 /nfs/dbraw/zinc/09/26/39/215092639.db2.gz AAQOAPWXXZWKJE-XHSDSOJGSA-N 2 1 327.513 1.824 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000561165580 306283456 /nfs/dbraw/zinc/28/34/56/306283456.db2.gz JCYJZDUOVPBESG-BHIYHBOVSA-N 2 1 344.503 1.930 20 0 EDADMP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000337397208 539689853 /nfs/dbraw/zinc/68/98/53/539689853.db2.gz NPZGKENKSMSNOR-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000562612647 306302872 /nfs/dbraw/zinc/30/28/72/306302872.db2.gz BUXTVAMGNXDMGE-OAHLLOKOSA-N 2 1 345.443 1.109 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000562821939 306310299 /nfs/dbraw/zinc/31/02/99/306310299.db2.gz JJJHUMVEJFCGNO-HDEZJCGLSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000562821939 306310300 /nfs/dbraw/zinc/31/03/00/306310300.db2.gz JJJHUMVEJFCGNO-HDEZJCGLSA-N 2 1 338.496 1.125 20 0 EDADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000347881331 283051931 /nfs/dbraw/zinc/05/19/31/283051931.db2.gz YAVJIZZBXUTCJT-YJBOKZPZSA-N 2 1 335.496 1.603 20 0 EDADMP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000347881331 283051932 /nfs/dbraw/zinc/05/19/32/283051932.db2.gz YAVJIZZBXUTCJT-YJBOKZPZSA-N 2 1 335.496 1.603 20 0 EDADMP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000347881331 283051934 /nfs/dbraw/zinc/05/19/34/283051934.db2.gz YAVJIZZBXUTCJT-YJBOKZPZSA-N 2 1 335.496 1.603 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000412848941 304041097 /nfs/dbraw/zinc/04/10/97/304041097.db2.gz SRHVHQJTMKUSBJ-KRWDZBQOSA-N 2 1 330.476 1.653 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000343490422 291046369 /nfs/dbraw/zinc/04/63/69/291046369.db2.gz AAADBUWOOVIOKA-ZIAGYGMSSA-N 2 1 339.823 1.093 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccnn1-c1ccccc1 ZINC000281198572 540075264 /nfs/dbraw/zinc/07/52/64/540075264.db2.gz KAKFCALODQITRF-MRXNPFEDSA-N 2 1 341.459 1.687 20 0 EDADMP O=C(CCc1c[nH]cn1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000281224212 540075345 /nfs/dbraw/zinc/07/53/45/540075345.db2.gz OMIWVHFJTGBXCD-SJLPKXTDSA-N 2 1 342.443 1.342 20 0 EDADMP O=C(CCc1cnc[nH]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000281224212 540075352 /nfs/dbraw/zinc/07/53/52/540075352.db2.gz OMIWVHFJTGBXCD-SJLPKXTDSA-N 2 1 342.443 1.342 20 0 EDADMP O=C(CCc1cnc[nH]1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000281224212 540075356 /nfs/dbraw/zinc/07/53/56/540075356.db2.gz OMIWVHFJTGBXCD-SJLPKXTDSA-N 2 1 342.443 1.342 20 0 EDADMP O=S(=O)(CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)NCc1ccccc1 ZINC000178953982 540114375 /nfs/dbraw/zinc/11/43/75/540114375.db2.gz PIKLMBGHRWKKAS-DLBZAZTESA-N 2 1 337.489 1.322 20 0 EDADMP O=S(=O)(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)NCc1ccccc1 ZINC000178953982 540114378 /nfs/dbraw/zinc/11/43/78/540114378.db2.gz PIKLMBGHRWKKAS-DLBZAZTESA-N 2 1 337.489 1.322 20 0 EDADMP O=S(=O)(CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)NCc1ccccc1 ZINC000178953982 540114381 /nfs/dbraw/zinc/11/43/81/540114381.db2.gz PIKLMBGHRWKKAS-DLBZAZTESA-N 2 1 337.489 1.322 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000563454390 306334486 /nfs/dbraw/zinc/33/44/86/306334486.db2.gz QWFBANVAHXCUMZ-KURKYZTESA-N 2 1 328.460 1.512 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000360185787 283165287 /nfs/dbraw/zinc/16/52/87/283165287.db2.gz WOCNFOCCDAWUKC-MRXNPFEDSA-N 2 1 340.512 1.167 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000360185787 283165289 /nfs/dbraw/zinc/16/52/89/283165289.db2.gz WOCNFOCCDAWUKC-MRXNPFEDSA-N 2 1 340.512 1.167 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000360185787 283165291 /nfs/dbraw/zinc/16/52/91/283165291.db2.gz WOCNFOCCDAWUKC-MRXNPFEDSA-N 2 1 340.512 1.167 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000360171052 283165744 /nfs/dbraw/zinc/16/57/44/283165744.db2.gz MQBZVDVXWZNCSN-HOTGVXAUSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000360171052 283165745 /nfs/dbraw/zinc/16/57/45/283165745.db2.gz MQBZVDVXWZNCSN-HOTGVXAUSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000360171052 283165746 /nfs/dbraw/zinc/16/57/46/283165746.db2.gz MQBZVDVXWZNCSN-HOTGVXAUSA-N 2 1 340.512 1.071 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC000069157529 138198523 /nfs/dbraw/zinc/19/85/23/138198523.db2.gz ORYNEKWQGHDNMM-CQSZACIVSA-N 2 1 336.505 1.731 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H]3CC[N@H+](C)C3)CC2)cs1 ZINC000069157529 138198527 /nfs/dbraw/zinc/19/85/27/138198527.db2.gz ORYNEKWQGHDNMM-CQSZACIVSA-N 2 1 336.505 1.731 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC000069157528 138198712 /nfs/dbraw/zinc/19/87/12/138198712.db2.gz ORYNEKWQGHDNMM-AWEZNQCLSA-N 2 1 336.505 1.731 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H]3CC[N@H+](C)C3)CC2)cs1 ZINC000069157528 138198714 /nfs/dbraw/zinc/19/87/14/138198714.db2.gz ORYNEKWQGHDNMM-AWEZNQCLSA-N 2 1 336.505 1.731 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000072858152 138211453 /nfs/dbraw/zinc/21/14/53/138211453.db2.gz XCRUHLSOFMRRHG-OAHLLOKOSA-N 2 1 332.448 1.998 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000072858152 138211455 /nfs/dbraw/zinc/21/14/55/138211455.db2.gz XCRUHLSOFMRRHG-OAHLLOKOSA-N 2 1 332.448 1.998 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000072858152 138211457 /nfs/dbraw/zinc/21/14/57/138211457.db2.gz XCRUHLSOFMRRHG-OAHLLOKOSA-N 2 1 332.448 1.998 20 0 EDADMP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000356622239 283254891 /nfs/dbraw/zinc/25/48/91/283254891.db2.gz QAGRPZOHWRJZGJ-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000356622239 283254896 /nfs/dbraw/zinc/25/48/96/283254896.db2.gz QAGRPZOHWRJZGJ-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C[NH3+])c2ccccc2)[C@@H](C)C1 ZINC000564089293 306355636 /nfs/dbraw/zinc/35/56/36/306355636.db2.gz GSIBREFFBZKYSN-UHOSZYNNSA-N 2 1 347.503 1.982 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000564334226 306359059 /nfs/dbraw/zinc/35/90/59/306359059.db2.gz DQRGJSXUSVEFPD-IEZWGBDMSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000564334226 306359060 /nfs/dbraw/zinc/35/90/60/306359060.db2.gz DQRGJSXUSVEFPD-IEZWGBDMSA-N 2 1 331.460 1.534 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000413842704 304080184 /nfs/dbraw/zinc/08/01/84/304080184.db2.gz PTYXEMPBIBMOBC-HRBLRVMOSA-N 2 1 349.523 1.033 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000413842704 304080185 /nfs/dbraw/zinc/08/01/85/304080185.db2.gz PTYXEMPBIBMOBC-HRBLRVMOSA-N 2 1 349.523 1.033 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000413842704 304080186 /nfs/dbraw/zinc/08/01/86/304080186.db2.gz PTYXEMPBIBMOBC-HRBLRVMOSA-N 2 1 349.523 1.033 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337725070 296016955 /nfs/dbraw/zinc/01/69/55/296016955.db2.gz SMUXVBQMQSRIFN-MJGOQNOKSA-N 2 1 349.519 1.964 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCOCC2)[C@H]2CCC[C@@H]21 ZINC000414176175 304104464 /nfs/dbraw/zinc/10/44/64/304104464.db2.gz HETNHFUHEKYGLA-SQNIBIBYSA-N 2 1 337.508 1.330 20 0 EDADMP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136071062 201131342 /nfs/dbraw/zinc/13/13/42/201131342.db2.gz PPDADXNMLVKQLY-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@@H](C(=O)N1CCCCC1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136071062 201131346 /nfs/dbraw/zinc/13/13/46/201131346.db2.gz PPDADXNMLVKQLY-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)N[C@H]3CC[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000566021511 306397025 /nfs/dbraw/zinc/39/70/25/306397025.db2.gz ZRJBSOJGSYWGCA-QGTPRVQTSA-N 2 1 344.459 1.634 20 0 EDADMP COC(=O)[C@H]1CN(Cc2cn(-c3cc[nH+]cc3)nc2C)CC[N@@H+](C)C1 ZINC000414495182 304120383 /nfs/dbraw/zinc/12/03/83/304120383.db2.gz WYCMZOVLHCXPNQ-MRXNPFEDSA-N 2 1 343.431 1.112 20 0 EDADMP CO[C@@](C)([C@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000414507356 304121113 /nfs/dbraw/zinc/12/11/13/304121113.db2.gz YUOVMFPDHAPUHK-KSSFIOAISA-N 2 1 333.480 1.522 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000370020907 296075010 /nfs/dbraw/zinc/07/50/10/296075010.db2.gz VGNAHVRLXFXXNN-QZTJIDSGSA-N 2 1 334.508 1.101 20 0 EDADMP COc1ccc([C@H]2CC[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)cc1 ZINC000414695622 304128380 /nfs/dbraw/zinc/12/83/80/304128380.db2.gz PGGPZAMRASXIKR-RDJZCZTQSA-N 2 1 331.460 1.682 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000154325101 296109476 /nfs/dbraw/zinc/10/94/76/296109476.db2.gz ZKYCQHVOBQZQQK-GOSISDBHSA-N 2 1 335.492 1.717 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000353810956 296109573 /nfs/dbraw/zinc/10/95/73/296109573.db2.gz MLZZRCDWEQEFDL-SJLPKXTDSA-N 2 1 335.492 1.478 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414832775 304145965 /nfs/dbraw/zinc/14/59/65/304145965.db2.gz OUQDYZOHKPBGED-KRWDZBQOSA-N 2 1 344.459 1.609 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000414844640 304147228 /nfs/dbraw/zinc/14/72/28/304147228.db2.gz QAGLLXOXMIMPFX-HNNXBMFYSA-N 2 1 332.448 1.335 20 0 EDADMP CN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000073988368 203277409 /nfs/dbraw/zinc/27/74/09/203277409.db2.gz GYVJMCJVJSPPML-LJQANCHMSA-N 2 1 344.503 1.600 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@H]4C[NH2+]CCCO4)[C@@H]3C2)cc1 ZINC000415036770 304153332 /nfs/dbraw/zinc/15/33/32/304153332.db2.gz KEYZXWFIGCQNRY-NMLBUPMWSA-N 2 1 329.488 1.865 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000415054874 304155010 /nfs/dbraw/zinc/15/50/10/304155010.db2.gz FJDPXEORQYWMPL-XJKSGUPXSA-N 2 1 347.463 1.113 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000415054874 304155012 /nfs/dbraw/zinc/15/50/12/304155012.db2.gz FJDPXEORQYWMPL-XJKSGUPXSA-N 2 1 347.463 1.113 20 0 EDADMP COC(=O)c1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415058124 304155619 /nfs/dbraw/zinc/15/56/19/304155619.db2.gz SNYRPWNOUVKSOE-UHFFFAOYSA-N 2 1 331.460 1.779 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000415067544 304156587 /nfs/dbraw/zinc/15/65/87/304156587.db2.gz USOHCUYQQVKJOY-JKSUJKDBSA-N 2 1 347.463 1.241 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000415067544 304156590 /nfs/dbraw/zinc/15/65/90/304156590.db2.gz USOHCUYQQVKJOY-JKSUJKDBSA-N 2 1 347.463 1.241 20 0 EDADMP CCS(=O)(=O)NCCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415079695 304158341 /nfs/dbraw/zinc/15/83/41/304158341.db2.gz KHTFPHXWZXPNOJ-JKSUJKDBSA-N 2 1 325.478 1.399 20 0 EDADMP O=C([C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]C1)N1CCOCC1 ZINC000415121022 304161719 /nfs/dbraw/zinc/16/17/19/304161719.db2.gz YSQMPLLSQUNJRN-QZTJIDSGSA-N 2 1 331.460 1.046 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415131899 304162450 /nfs/dbraw/zinc/16/24/50/304162450.db2.gz SQKDZZSSOIMABY-AWEZNQCLSA-N 2 1 344.459 1.071 20 0 EDADMP CC(C)C[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000236677858 139028460 /nfs/dbraw/zinc/02/84/60/139028460.db2.gz DQSBJCOMPDWBEE-ROUUACIJSA-N 2 1 333.476 1.940 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C2CC[NH2+]CC2)CC1 ZINC000236954454 139036357 /nfs/dbraw/zinc/03/63/57/139036357.db2.gz MTZCAVQQONKULH-UHFFFAOYSA-N 2 1 344.503 1.440 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000125839925 205028888 /nfs/dbraw/zinc/02/88/88/205028888.db2.gz JBYVNPMFPAHBHC-CVEARBPZSA-N 2 1 347.463 1.050 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000237319282 139047680 /nfs/dbraw/zinc/04/76/80/139047680.db2.gz LXRSOGGXECYBSH-AAEUAGOBSA-N 2 1 327.519 1.691 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000237319282 139047681 /nfs/dbraw/zinc/04/76/81/139047681.db2.gz LXRSOGGXECYBSH-AAEUAGOBSA-N 2 1 327.519 1.691 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000415179502 304171591 /nfs/dbraw/zinc/17/15/91/304171591.db2.gz JYPCJNGTUVIQQA-KBPBESRZSA-N 2 1 332.448 1.286 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000415179502 304171592 /nfs/dbraw/zinc/17/15/92/304171592.db2.gz JYPCJNGTUVIQQA-KBPBESRZSA-N 2 1 332.448 1.286 20 0 EDADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000128600726 205153986 /nfs/dbraw/zinc/15/39/86/205153986.db2.gz QUPNLXVJOWRPCH-INIZCTEOSA-N 2 1 343.479 1.341 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000237462578 139051811 /nfs/dbraw/zinc/05/18/11/139051811.db2.gz IOZFKOINXLUVQS-OAHLLOKOSA-N 2 1 348.495 1.445 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000130855405 205262574 /nfs/dbraw/zinc/26/25/74/205262574.db2.gz XHWZWFBDWJFKQJ-IBGZPJMESA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000130855405 205262578 /nfs/dbraw/zinc/26/25/78/205262578.db2.gz XHWZWFBDWJFKQJ-IBGZPJMESA-N 2 1 345.487 1.876 20 0 EDADMP CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415193734 304173489 /nfs/dbraw/zinc/17/34/89/304173489.db2.gz MPNGSVUVGXPXHW-UHFFFAOYSA-N 2 1 332.448 1.322 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000111866160 220214883 /nfs/dbraw/zinc/21/48/83/220214883.db2.gz QFLJQQARJCOYCK-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3C[NH+](C)CCO3)cc2)C1 ZINC000245460696 139075805 /nfs/dbraw/zinc/07/58/05/139075805.db2.gz MLMZHRSXODXDPO-QFBILLFUSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3C[NH+](C)CCO3)cc2)C1 ZINC000245460696 139075806 /nfs/dbraw/zinc/07/58/06/139075806.db2.gz MLMZHRSXODXDPO-QFBILLFUSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)CCO3)cc2)C1 ZINC000245460696 139075807 /nfs/dbraw/zinc/07/58/07/139075807.db2.gz MLMZHRSXODXDPO-QFBILLFUSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)C1 ZINC000245460696 139075808 /nfs/dbraw/zinc/07/58/08/139075808.db2.gz MLMZHRSXODXDPO-QFBILLFUSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246556174 139112767 /nfs/dbraw/zinc/11/27/67/139112767.db2.gz KRHGIZIOQSKSNA-DVOMOZLQSA-N 2 1 334.464 1.312 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000247326123 139145098 /nfs/dbraw/zinc/14/50/98/139145098.db2.gz UEUVMSSKIZZBIC-FUHWJXTLSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000247326123 139145099 /nfs/dbraw/zinc/14/50/99/139145099.db2.gz UEUVMSSKIZZBIC-FUHWJXTLSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000248855771 139177825 /nfs/dbraw/zinc/17/78/25/139177825.db2.gz PGUPJLIPTGEWFL-SUMDDJOVSA-N 2 1 348.491 1.119 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H]2CCCC2(C)C)C1 ZINC000248948189 139181302 /nfs/dbraw/zinc/18/13/02/139181302.db2.gz AURNJQBQRTYREP-HOTGVXAUSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000112215761 220264547 /nfs/dbraw/zinc/26/45/47/220264547.db2.gz HSKPWYLWRXCFLZ-HZPDHXFCSA-N 2 1 338.496 1.223 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000249690584 139197069 /nfs/dbraw/zinc/19/70/69/139197069.db2.gz QXPMJPRMSSEWOW-CVEARBPZSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000249760965 139198207 /nfs/dbraw/zinc/19/82/07/139198207.db2.gz LIKNCJILCQIBMB-JYJNAYRXSA-N 2 1 326.485 1.269 20 0 EDADMP COC[C@@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261540655 139208655 /nfs/dbraw/zinc/20/86/55/139208655.db2.gz AIEGXGWLNUEYEO-PKOBYXMFSA-N 2 1 331.460 1.393 20 0 EDADMP CCc1noc([C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261673164 139216255 /nfs/dbraw/zinc/21/62/55/139216255.db2.gz BZXDGVUQIRHPLR-MELADBBJSA-N 2 1 335.452 1.273 20 0 EDADMP CCc1noc([C@H](C)[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261673164 139216256 /nfs/dbraw/zinc/21/62/56/139216256.db2.gz BZXDGVUQIRHPLR-MELADBBJSA-N 2 1 335.452 1.273 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000261743169 139222414 /nfs/dbraw/zinc/22/24/14/139222414.db2.gz TURBQFREKFZJRY-CYBMUJFWSA-N 2 1 345.365 1.872 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261793025 139226652 /nfs/dbraw/zinc/22/66/52/139226652.db2.gz NSLLOXQVAVMDBP-KXBFYZLASA-N 2 1 346.475 1.100 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261793025 139226653 /nfs/dbraw/zinc/22/66/53/139226653.db2.gz NSLLOXQVAVMDBP-KXBFYZLASA-N 2 1 346.475 1.100 20 0 EDADMP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261862453 139232246 /nfs/dbraw/zinc/23/22/46/139232246.db2.gz CFQMOPXZLOAMSP-MANSERQUSA-N 2 1 349.519 1.914 20 0 EDADMP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261862464 139232275 /nfs/dbraw/zinc/23/22/75/139232275.db2.gz CFQMOPXZLOAMSP-WJFTUGDTSA-N 2 1 349.519 1.914 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)CC2)cs1 ZINC000261843006 139230873 /nfs/dbraw/zinc/23/08/73/139230873.db2.gz PHDFDXDOOUBFOW-GXTWGEPZSA-N 2 1 336.505 1.859 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000262028618 139244968 /nfs/dbraw/zinc/24/49/68/139244968.db2.gz SDHZKTXVUHQXEK-HOTGVXAUSA-N 2 1 329.444 1.558 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354713197 296310774 /nfs/dbraw/zinc/31/07/74/296310774.db2.gz QKHBYHTZBYNPPV-CVEARBPZSA-N 2 1 338.496 1.016 20 0 EDADMP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262156589 139255990 /nfs/dbraw/zinc/25/59/90/139255990.db2.gz RZSCFNBLRITMRJ-HNNXBMFYSA-N 2 1 337.851 1.606 20 0 EDADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262156589 139255991 /nfs/dbraw/zinc/25/59/91/139255991.db2.gz RZSCFNBLRITMRJ-HNNXBMFYSA-N 2 1 337.851 1.606 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC3CC[NH2+]CC3)cc2)C[C@@H](C)O1 ZINC000262160371 139256177 /nfs/dbraw/zinc/25/61/77/139256177.db2.gz NGADFEZIIUCSPP-HUUCEWRRSA-N 2 1 331.460 1.778 20 0 EDADMP CCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000262177926 139257656 /nfs/dbraw/zinc/25/76/56/139257656.db2.gz QUHNZNSCLGAVGW-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP CSc1cc(Br)ccc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262181111 139257869 /nfs/dbraw/zinc/25/78/69/139257869.db2.gz WQCIGYGJUPVMFU-PWSUYJOCSA-N 2 1 331.279 1.841 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000415941973 251036271 /nfs/dbraw/zinc/03/62/71/251036271.db2.gz HQLRLIRNTCCXRQ-UHFFFAOYSA-N 2 1 334.464 1.981 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000416011699 251046056 /nfs/dbraw/zinc/04/60/56/251046056.db2.gz QBPVGZFISNYJDA-CQSZACIVSA-N 2 1 334.464 1.715 20 0 EDADMP CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000262287687 139266834 /nfs/dbraw/zinc/26/68/34/139266834.db2.gz VQQMMQTVVMLEMB-SFHVURJKSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000416878229 251115796 /nfs/dbraw/zinc/11/57/96/251115796.db2.gz JCYIRDACZVDYIO-QAPCUYQASA-N 2 1 346.475 1.398 20 0 EDADMP C[N@@H+](CCCNC(=O)NCCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000416877905 251116137 /nfs/dbraw/zinc/11/61/37/251116137.db2.gz VHJIYFYXHZYXSM-UHFFFAOYSA-N 2 1 347.507 1.103 20 0 EDADMP [NH3+]CC[C@@H]1CCCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417013595 251132246 /nfs/dbraw/zinc/13/22/46/251132246.db2.gz YURYDGKPRRRQBX-INIZCTEOSA-N 2 1 330.476 1.815 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417271453 251151844 /nfs/dbraw/zinc/15/18/44/251151844.db2.gz QSLOWCYCPYTZIG-RHSMWYFYSA-N 2 1 334.464 1.444 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417271453 251151847 /nfs/dbraw/zinc/15/18/47/251151847.db2.gz QSLOWCYCPYTZIG-RHSMWYFYSA-N 2 1 334.464 1.444 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@H+]3C)cc2)CC1 ZINC000175710124 207152385 /nfs/dbraw/zinc/15/23/85/207152385.db2.gz KEWJZEDYXISXFV-SFHVURJKSA-N 2 1 330.476 1.653 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)[C@H](C)C1 ZINC000417667393 251220687 /nfs/dbraw/zinc/22/06/87/251220687.db2.gz GRIBJLVQQUXYSY-IKGGRYGDSA-N 2 1 340.512 1.565 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@H](C)C1 ZINC000417667939 251221294 /nfs/dbraw/zinc/22/12/94/251221294.db2.gz IDJHOFHCTAOJES-OLZOCXBDSA-N 2 1 336.427 1.017 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@H](C)C1 ZINC000417667939 251221297 /nfs/dbraw/zinc/22/12/97/251221297.db2.gz IDJHOFHCTAOJES-OLZOCXBDSA-N 2 1 336.427 1.017 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000417670619 251222012 /nfs/dbraw/zinc/22/20/12/251222012.db2.gz OMXLUVSPYBBFMB-PMPSAXMXSA-N 2 1 326.485 1.175 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417674582 251224296 /nfs/dbraw/zinc/22/42/96/251224296.db2.gz ZVSUKLXEFGPTQI-OTWHNJEPSA-N 2 1 342.487 1.902 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417723809 251242787 /nfs/dbraw/zinc/24/27/87/251242787.db2.gz CNIWZZSPADGAJX-JKSUJKDBSA-N 2 1 333.480 1.186 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417736618 251248175 /nfs/dbraw/zinc/24/81/75/251248175.db2.gz VAWSINLLUPFYFW-DLBZAZTESA-N 2 1 347.507 1.352 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000417866658 251306053 /nfs/dbraw/zinc/30/60/53/251306053.db2.gz DUTZNYNFWAZYLY-HHXXYDBFSA-N 2 1 348.466 1.992 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000417866658 251306057 /nfs/dbraw/zinc/30/60/57/251306057.db2.gz DUTZNYNFWAZYLY-HHXXYDBFSA-N 2 1 348.466 1.992 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417873601 251308893 /nfs/dbraw/zinc/30/88/93/251308893.db2.gz LZWSMNCOVKIKHI-MAUKXSAKSA-N 2 1 330.476 1.682 20 0 EDADMP CC[C@H](NC(=O)NCCC[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417887625 251314056 /nfs/dbraw/zinc/31/40/56/251314056.db2.gz IGQDGMKSFBRQFV-ZWKOTPCHSA-N 2 1 348.491 1.575 20 0 EDADMP CC[C@H](NC(=O)NCCC[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417887625 251314061 /nfs/dbraw/zinc/31/40/61/251314061.db2.gz IGQDGMKSFBRQFV-ZWKOTPCHSA-N 2 1 348.491 1.575 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418077397 251320242 /nfs/dbraw/zinc/32/02/42/251320242.db2.gz STOKOINEXUEOHL-YQQAZPJKSA-N 2 1 334.464 1.312 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)CCC(F)(F)F ZINC000418080523 251321620 /nfs/dbraw/zinc/32/16/20/251321620.db2.gz RZZOJNHKCRVMFB-AWEZNQCLSA-N 2 1 336.402 1.656 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418111281 251326733 /nfs/dbraw/zinc/32/67/33/251326733.db2.gz GRLPPHNJZPWCMR-NVXWUHKLSA-N 2 1 340.512 1.694 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC([NH3+])(CC)CC ZINC000418436567 251370446 /nfs/dbraw/zinc/37/04/46/251370446.db2.gz IQALXAINAHQDPT-MRXNPFEDSA-N 3 1 341.544 1.561 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC000418194657 251352525 /nfs/dbraw/zinc/35/25/25/251352525.db2.gz DTTZWESVUWRRQU-GOEBONIOSA-N 2 1 331.464 1.917 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418318152 251360630 /nfs/dbraw/zinc/36/06/30/251360630.db2.gz NNDVUJLARAOETR-GBESFXJTSA-N 2 1 342.487 1.759 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262633337 139291679 /nfs/dbraw/zinc/29/16/79/139291679.db2.gz GIGKMHIFHQIPKS-LPHOPBHVSA-N 2 1 344.503 1.568 20 0 EDADMP [NH3+][C@@H]1CC[C@@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000262651600 139293179 /nfs/dbraw/zinc/29/31/79/139293179.db2.gz RELKWSREVDZEIW-RTBURBONSA-N 2 1 344.503 1.438 20 0 EDADMP O=C(C[NH2+]CC1CC1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000262662197 139294270 /nfs/dbraw/zinc/29/42/70/139294270.db2.gz YVKMPZBJPZXMMU-UHFFFAOYSA-N 2 1 344.503 1.310 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262886857 139310451 /nfs/dbraw/zinc/31/04/51/139310451.db2.gz WMEFETKISPZUEQ-KBAYOESNSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262886857 139310452 /nfs/dbraw/zinc/31/04/52/139310452.db2.gz WMEFETKISPZUEQ-KBAYOESNSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422891250 252014070 /nfs/dbraw/zinc/01/40/70/252014070.db2.gz UXPUTQDUXCKNJR-YJBOKZPZSA-N 3 1 332.492 1.601 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000423352267 252051278 /nfs/dbraw/zinc/05/12/78/252051278.db2.gz AEOOBLXAXBOAFD-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424444639 252234535 /nfs/dbraw/zinc/23/45/35/252234535.db2.gz DBNLYRUQXBIAIR-MRXNPFEDSA-N 2 1 332.448 1.335 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000111856802 285024387 /nfs/dbraw/zinc/02/43/87/285024387.db2.gz UTFHJPQOJCYHFU-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)ccc1OCC(F)(F)F ZINC000263133382 139324175 /nfs/dbraw/zinc/32/41/75/139324175.db2.gz BWFVJVIVKUKUTH-NEPJUHHUSA-N 2 1 334.338 1.306 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000111865226 285033560 /nfs/dbraw/zinc/03/35/60/285033560.db2.gz XQYITSVQCJJQCX-KRWDZBQOSA-N 2 1 338.496 1.367 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](C)[NH2+]CC)c2C1 ZINC000415660991 304250704 /nfs/dbraw/zinc/25/07/04/304250704.db2.gz UFDXMTCENDZRRY-CYBMUJFWSA-N 2 1 332.448 1.465 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](C)[NH2+]CC)c2C1 ZINC000415660991 304250706 /nfs/dbraw/zinc/25/07/06/304250706.db2.gz UFDXMTCENDZRRY-CYBMUJFWSA-N 2 1 332.448 1.465 20 0 EDADMP C[NH+](C)C/C=C\C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000492593313 255181837 /nfs/dbraw/zinc/18/18/37/255181837.db2.gz KEJIAXKLUGBMHA-TWVNLXSWSA-N 2 1 331.460 1.377 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000494017300 255231736 /nfs/dbraw/zinc/23/17/36/255231736.db2.gz MCMDSMULLZKHAK-UHOSZYNNSA-N 2 1 345.487 1.875 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000494017300 255231737 /nfs/dbraw/zinc/23/17/37/255231737.db2.gz MCMDSMULLZKHAK-UHOSZYNNSA-N 2 1 345.487 1.875 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000494017300 255231738 /nfs/dbraw/zinc/23/17/38/255231738.db2.gz MCMDSMULLZKHAK-UHOSZYNNSA-N 2 1 345.487 1.875 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000494017300 255231739 /nfs/dbraw/zinc/23/17/39/255231739.db2.gz MCMDSMULLZKHAK-UHOSZYNNSA-N 2 1 345.487 1.875 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@]2(C)CCO[C@H]2C)CC1 ZINC000494278114 255244074 /nfs/dbraw/zinc/24/40/74/255244074.db2.gz XEROLUJCEXIHBZ-FXAWDEMLSA-N 2 1 345.487 1.796 20 0 EDADMP O=C(C[N@@H+]1CCC[C@H](OCC2CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000494686975 255257686 /nfs/dbraw/zinc/25/76/86/255257686.db2.gz AYHIAXGQYVJEKA-SFHVURJKSA-N 2 1 335.492 1.620 20 0 EDADMP O=C(C[N@H+]1CCC[C@H](OCC2CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000494686975 255257687 /nfs/dbraw/zinc/25/76/87/255257687.db2.gz AYHIAXGQYVJEKA-SFHVURJKSA-N 2 1 335.492 1.620 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000495122120 255269439 /nfs/dbraw/zinc/26/94/39/255269439.db2.gz XBUAHRUBIKZECN-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000495574759 255303863 /nfs/dbraw/zinc/30/38/63/255303863.db2.gz NDOMYOKAIZDMSK-NUEKZKHPSA-N 2 1 341.496 1.989 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNCC(F)(F)F ZINC000353730073 285276525 /nfs/dbraw/zinc/27/65/25/285276525.db2.gz OZBHRWUSIWRAGJ-ZDUSSCGKSA-N 2 1 338.418 1.013 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ncc(C)cc1O ZINC000427103218 285281817 /nfs/dbraw/zinc/28/18/17/285281817.db2.gz VDDJIXAQSULJKJ-HNNXBMFYSA-N 2 1 334.464 1.584 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000264186692 139385393 /nfs/dbraw/zinc/38/53/93/139385393.db2.gz NVHLZTCRELEJLM-SFHVURJKSA-N 2 1 330.476 1.508 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000264186692 139385394 /nfs/dbraw/zinc/38/53/94/139385394.db2.gz NVHLZTCRELEJLM-SFHVURJKSA-N 2 1 330.476 1.508 20 0 EDADMP C[NH+](C)CCOc1ccc(CCNC(=O)N2CC[NH+](C)CC2)cc1 ZINC000264268911 139391718 /nfs/dbraw/zinc/39/17/18/139391718.db2.gz HAYZNTVTSYLVGX-UHFFFAOYSA-N 2 1 334.464 1.127 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000415923636 304285625 /nfs/dbraw/zinc/28/56/25/304285625.db2.gz WVPGGAWBTDLIDN-KRWDZBQOSA-N 2 1 334.464 1.764 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416140190 304291092 /nfs/dbraw/zinc/29/10/92/304291092.db2.gz ZMTMGLGTWYMNJY-UHFFFAOYSA-N 2 1 333.476 1.519 20 0 EDADMP COCC[NH+](C)CCCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416140190 304291094 /nfs/dbraw/zinc/29/10/94/304291094.db2.gz ZMTMGLGTWYMNJY-UHFFFAOYSA-N 2 1 333.476 1.519 20 0 EDADMP COCC[NH+](C)CCCNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416140190 304291095 /nfs/dbraw/zinc/29/10/95/304291095.db2.gz ZMTMGLGTWYMNJY-UHFFFAOYSA-N 2 1 333.476 1.519 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000416237847 304298944 /nfs/dbraw/zinc/29/89/44/304298944.db2.gz CTWXWXKEVVKMFB-BZSNNMDCSA-N 2 1 331.460 1.611 20 0 EDADMP C[NH+](C)[C@H](CC(=O)NC[C@H]1CCCC[N@H+]1CCO)c1ccccc1 ZINC000416244435 304300141 /nfs/dbraw/zinc/30/01/41/304300141.db2.gz VVKNUVPMBCEMEJ-QZTJIDSGSA-N 2 1 333.476 1.642 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271649401 140326818 /nfs/dbraw/zinc/32/68/18/140326818.db2.gz FWIRSMXNAAYXHZ-ZDUSSCGKSA-N 2 1 336.461 1.970 20 0 EDADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271814074 140354843 /nfs/dbraw/zinc/35/48/43/140354843.db2.gz YXMNVHWJIVCZFY-AEGPPILISA-N 2 1 325.478 1.857 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000332052960 141115608 /nfs/dbraw/zinc/11/56/08/141115608.db2.gz YHQWDUXRFWKLIM-XHSDSOJGSA-N 2 1 340.512 1.502 20 0 EDADMP C[NH+]1CCC(C)(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000333110678 141265786 /nfs/dbraw/zinc/26/57/86/141265786.db2.gz SAEODDFRWDOEOM-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP Cc1ccc(CCC[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000339407836 142039966 /nfs/dbraw/zinc/03/99/66/142039966.db2.gz PAMGIXHQGNNLKB-RBUKOAKNSA-N 2 1 344.503 1.903 20 0 EDADMP C[NH+]1CCC([C@@H]2CCN(C(=O)NCC[NH+]3CCSCC3)C2)CC1 ZINC000339549599 142074467 /nfs/dbraw/zinc/07/44/67/142074467.db2.gz SWFFEGMYJOCXNA-MRXNPFEDSA-N 2 1 340.537 1.409 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC000339611174 142092954 /nfs/dbraw/zinc/09/29/54/142092954.db2.gz ASFFLWSULWLDQA-HOTGVXAUSA-N 2 1 340.512 1.163 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC000339611174 142092955 /nfs/dbraw/zinc/09/29/55/142092955.db2.gz ASFFLWSULWLDQA-HOTGVXAUSA-N 2 1 340.512 1.163 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000340404879 142379508 /nfs/dbraw/zinc/37/95/08/142379508.db2.gz HBEDUCXMNWGCIP-QGZVFWFLSA-N 2 1 338.540 1.593 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000346211182 143179230 /nfs/dbraw/zinc/17/92/30/143179230.db2.gz BSSQOJPFNQVYIW-HZPDHXFCSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000346211182 143179231 /nfs/dbraw/zinc/17/92/31/143179231.db2.gz BSSQOJPFNQVYIW-HZPDHXFCSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000346211182 143179232 /nfs/dbraw/zinc/17/92/32/143179232.db2.gz BSSQOJPFNQVYIW-HZPDHXFCSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000346378180 143198555 /nfs/dbraw/zinc/19/85/55/143198555.db2.gz RTEQKXAFAYJBFJ-DLBZAZTESA-N 2 1 345.491 1.193 20 0 EDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000346592606 143219918 /nfs/dbraw/zinc/21/99/18/143219918.db2.gz MYZXGXOKKQOWIK-MAUKXSAKSA-N 2 1 331.460 1.589 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000346592606 143219919 /nfs/dbraw/zinc/21/99/19/143219919.db2.gz MYZXGXOKKQOWIK-MAUKXSAKSA-N 2 1 331.460 1.589 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1)[C@H]1CCC[NH2+]1 ZINC000346686815 143231939 /nfs/dbraw/zinc/23/19/39/143231939.db2.gz UPGIUZUJLYRDHM-GOEBONIOSA-N 2 1 345.443 1.496 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000347015457 143271731 /nfs/dbraw/zinc/27/17/31/143271731.db2.gz JKGDNKCOWKMDNT-CYBMUJFWSA-N 2 1 347.488 1.560 20 0 EDADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000347213667 143295516 /nfs/dbraw/zinc/29/55/16/143295516.db2.gz PYXJMLIZVIUUFM-MRXNPFEDSA-N 2 1 333.480 1.282 20 0 EDADMP CN(C(=O)c1ccccc1OCC[NH+](C)C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347883136 143374549 /nfs/dbraw/zinc/37/45/49/143374549.db2.gz BWVFUTUMTWLYJJ-INIZCTEOSA-N 2 1 331.460 1.936 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369779413 155172729 /nfs/dbraw/zinc/17/27/29/155172729.db2.gz VYNMUCROKPFCFM-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP COC[C@@]1(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000416846834 304351754 /nfs/dbraw/zinc/35/17/54/304351754.db2.gz UQDJZNNAWPFWCH-HKUYNNGSSA-N 2 1 346.475 1.329 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000352686444 149116267 /nfs/dbraw/zinc/11/62/67/149116267.db2.gz ZLJVFCISFQQZQJ-UHFFFAOYSA-N 2 1 328.526 1.456 20 0 EDADMP Cn1cc(-c2ccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)s2)cn1 ZINC000352694403 149120007 /nfs/dbraw/zinc/12/00/07/149120007.db2.gz PHLUJIQQRSYALJ-HNNXBMFYSA-N 2 1 331.489 1.628 20 0 EDADMP c1cnc(Oc2ccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)cc2)cn1 ZINC000352720524 149128998 /nfs/dbraw/zinc/12/89/98/149128998.db2.gz OZVMFLULEPKTJV-QGZVFWFLSA-N 2 1 339.443 1.748 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)C[C@H]1CC ZINC000353431672 286085936 /nfs/dbraw/zinc/08/59/36/286085936.db2.gz RHYMQESSMKGGAD-ZACQAIPSSA-N 2 1 325.497 1.580 20 0 EDADMP CCS(=O)(=O)N1CCC([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352780941 149162166 /nfs/dbraw/zinc/16/21/66/149162166.db2.gz RKZLQYBKSDSRQO-UHFFFAOYSA-N 2 1 346.522 1.108 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NCC[N@H+]1CC=CCC1)[NH+]1CCOCC1 ZINC000353241839 149336551 /nfs/dbraw/zinc/33/65/51/149336551.db2.gz WUZPSDGMOLKZRW-KRWDZBQOSA-N 2 1 338.496 1.294 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NCC[N@@H+]1CC=CCC1)[NH+]1CCOCC1 ZINC000353241839 149336553 /nfs/dbraw/zinc/33/65/53/149336553.db2.gz WUZPSDGMOLKZRW-KRWDZBQOSA-N 2 1 338.496 1.294 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000354904483 150022606 /nfs/dbraw/zinc/02/26/06/150022606.db2.gz WCMPSZJOCYZJCT-AEFFLSMTSA-N 2 1 348.491 1.713 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354928906 150037115 /nfs/dbraw/zinc/03/71/15/150037115.db2.gz GOVLZFBBBRTLQN-OALUTQOASA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354928906 150037117 /nfs/dbraw/zinc/03/71/17/150037117.db2.gz GOVLZFBBBRTLQN-OALUTQOASA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000354928906 150037119 /nfs/dbraw/zinc/03/71/19/150037119.db2.gz GOVLZFBBBRTLQN-OALUTQOASA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000354928906 150037123 /nfs/dbraw/zinc/03/71/23/150037123.db2.gz GOVLZFBBBRTLQN-OALUTQOASA-N 2 1 345.487 1.829 20 0 EDADMP CCn1cc(C[NH2+]C[C@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)cn1 ZINC000354934162 150039572 /nfs/dbraw/zinc/03/95/72/150039572.db2.gz IZAYLUKQUZTWFO-LSDHHAIUSA-N 2 1 347.442 1.466 20 0 EDADMP Cc1[nH]nc2ncc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc12 ZINC000355215312 150168317 /nfs/dbraw/zinc/16/83/17/150168317.db2.gz CLIHQSIAJSXEJP-BHYGNILZSA-N 2 1 329.448 1.950 20 0 EDADMP Cc1[nH]nc2ncc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc12 ZINC000355215312 150168319 /nfs/dbraw/zinc/16/83/19/150168319.db2.gz CLIHQSIAJSXEJP-BHYGNILZSA-N 2 1 329.448 1.950 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCCOCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000355333692 150221952 /nfs/dbraw/zinc/22/19/52/150221952.db2.gz CKBHLRMKVYUNOA-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cc3)[C@H]2C1 ZINC000355337199 150222738 /nfs/dbraw/zinc/22/27/38/150222738.db2.gz FKMUFMDPUPLNFG-ROUUACIJSA-N 2 1 340.427 1.808 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CC[C@H](O)C3)c2)C1 ZINC000355346462 150226797 /nfs/dbraw/zinc/22/67/97/150226797.db2.gz UFLBCQSZBWJNHL-ROUUACIJSA-N 2 1 347.459 1.301 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CC[C@H](O)C3)c2)C1 ZINC000355346462 150226798 /nfs/dbraw/zinc/22/67/98/150226798.db2.gz UFLBCQSZBWJNHL-ROUUACIJSA-N 2 1 347.459 1.301 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)C1 ZINC000355346462 150226799 /nfs/dbraw/zinc/22/67/99/150226799.db2.gz UFLBCQSZBWJNHL-ROUUACIJSA-N 2 1 347.459 1.301 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)C1 ZINC000355346462 150226801 /nfs/dbraw/zinc/22/68/01/150226801.db2.gz UFLBCQSZBWJNHL-ROUUACIJSA-N 2 1 347.459 1.301 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000417027656 304362235 /nfs/dbraw/zinc/36/22/35/304362235.db2.gz UFCLGFGQBKSMLV-SFHVURJKSA-N 2 1 347.507 1.231 20 0 EDADMP C[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CCN1C1CC[NH+](C)CC1 ZINC000355499985 150293654 /nfs/dbraw/zinc/29/36/54/150293654.db2.gz CLICHXGBAYCULI-DOTOQJQBSA-N 2 1 345.491 1.387 20 0 EDADMP C[NH2+]CCCNC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000417032794 304363236 /nfs/dbraw/zinc/36/32/36/304363236.db2.gz YPBHZTYUEOKMJH-UHFFFAOYSA-N 2 1 347.507 1.103 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)[C@@H](C[NH3+])C1 ZINC000417042656 304365136 /nfs/dbraw/zinc/36/51/36/304365136.db2.gz LUUKIMNNGKEBPI-GVDBMIGSSA-N 2 1 340.512 1.789 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417045433 304365890 /nfs/dbraw/zinc/36/58/90/304365890.db2.gz RGFBAPKVVLYIHP-SJORKVTESA-N 2 1 347.507 1.494 20 0 EDADMP C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000357580163 151073551 /nfs/dbraw/zinc/07/35/51/151073551.db2.gz TZJGSTBPWROJSX-HKUYNNGSSA-N 2 1 347.503 1.716 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000357673038 151110499 /nfs/dbraw/zinc/11/04/99/151110499.db2.gz KKPKBOGJTLVIRZ-NXHRZFHOSA-N 2 1 347.503 1.905 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)C(C)(C)C[NH+](C)C ZINC000357858819 151174861 /nfs/dbraw/zinc/17/48/61/151174861.db2.gz FTNJRQOMMFKFRI-OWCLPIDISA-N 2 1 340.512 1.467 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000358315690 151334371 /nfs/dbraw/zinc/33/43/71/151334371.db2.gz QMEJKIXSOUQOHP-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCO[C@@H](C[NH3+])C3)cc2)C[C@H](C)O1 ZINC000358502690 151397896 /nfs/dbraw/zinc/39/78/96/151397896.db2.gz YYVHHHLQQPEAKT-DAYGRLMNSA-N 2 1 347.459 1.096 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCO[C@@H](C[NH3+])C3)cc2)C[C@H](C)O1 ZINC000358502690 151397898 /nfs/dbraw/zinc/39/78/98/151397898.db2.gz YYVHHHLQQPEAKT-DAYGRLMNSA-N 2 1 347.459 1.096 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000360789600 152206058 /nfs/dbraw/zinc/20/60/58/152206058.db2.gz VWMJDAMOSNQRIE-MRXNPFEDSA-N 2 1 342.528 1.859 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCCOCC2)[C@@H](C)C1 ZINC000361337852 152365810 /nfs/dbraw/zinc/36/58/10/152365810.db2.gz YXJANIBNSBCOHO-ROUUACIJSA-N 2 1 327.513 1.435 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)N(C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000370174129 155361562 /nfs/dbraw/zinc/36/15/62/155361562.db2.gz PUZAIOYEWKJCEE-OAHLLOKOSA-N 2 1 337.468 1.055 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N(C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000370174129 155361567 /nfs/dbraw/zinc/36/15/67/155361567.db2.gz PUZAIOYEWKJCEE-OAHLLOKOSA-N 2 1 337.468 1.055 20 0 EDADMP O=C(C[C@H]1CCC[NH2+]CC1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000364209541 153173786 /nfs/dbraw/zinc/17/37/86/153173786.db2.gz CAUAIBLHTTWCFO-HKUYNNGSSA-N 2 1 345.487 1.644 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)c2)CCO1 ZINC000364211393 153175303 /nfs/dbraw/zinc/17/53/03/153175303.db2.gz AAMWHENMGUUTMR-ZTNFWEORSA-N 2 1 343.471 1.523 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)c2)CCO1 ZINC000364211393 153175305 /nfs/dbraw/zinc/17/53/05/153175305.db2.gz AAMWHENMGUUTMR-ZTNFWEORSA-N 2 1 343.471 1.523 20 0 EDADMP CN(C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000364647242 153293209 /nfs/dbraw/zinc/29/32/09/153293209.db2.gz PJLROZHSHPUDJR-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CN(C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000364647242 153293211 /nfs/dbraw/zinc/29/32/11/153293211.db2.gz PJLROZHSHPUDJR-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000364787803 153334601 /nfs/dbraw/zinc/33/46/01/153334601.db2.gz IDPLJLLSQNNJCZ-GJZGRUSLSA-N 2 1 333.480 1.775 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000364787803 153334602 /nfs/dbraw/zinc/33/46/02/153334602.db2.gz IDPLJLLSQNNJCZ-GJZGRUSLSA-N 2 1 333.480 1.775 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000364787803 153334605 /nfs/dbraw/zinc/33/46/05/153334605.db2.gz IDPLJLLSQNNJCZ-GJZGRUSLSA-N 2 1 333.480 1.775 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000364787803 153334606 /nfs/dbraw/zinc/33/46/06/153334606.db2.gz IDPLJLLSQNNJCZ-GJZGRUSLSA-N 2 1 333.480 1.775 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000364787803 153334607 /nfs/dbraw/zinc/33/46/07/153334607.db2.gz IDPLJLLSQNNJCZ-GJZGRUSLSA-N 2 1 333.480 1.775 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000364840418 153348741 /nfs/dbraw/zinc/34/87/41/153348741.db2.gz MOQGMPFRSHCORR-MRXNPFEDSA-N 2 1 340.493 1.472 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000364840418 153348744 /nfs/dbraw/zinc/34/87/44/153348744.db2.gz MOQGMPFRSHCORR-MRXNPFEDSA-N 2 1 340.493 1.472 20 0 EDADMP CC(C)n1cnnc1[C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000367291363 154068316 /nfs/dbraw/zinc/06/83/16/154068316.db2.gz NLZPIUFVLAOWRA-INIZCTEOSA-N 2 1 348.495 1.203 20 0 EDADMP CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000367291363 154068319 /nfs/dbraw/zinc/06/83/19/154068319.db2.gz NLZPIUFVLAOWRA-INIZCTEOSA-N 2 1 348.495 1.203 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000367393112 154103662 /nfs/dbraw/zinc/10/36/62/154103662.db2.gz YRBJFCSYMBJYSQ-BQFCYCMXSA-N 2 1 330.476 1.927 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000367393112 154103664 /nfs/dbraw/zinc/10/36/64/154103664.db2.gz YRBJFCSYMBJYSQ-BQFCYCMXSA-N 2 1 330.476 1.927 20 0 EDADMP C[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)[N@H+]1CCc2ccccc2C1 ZINC000417345873 304393462 /nfs/dbraw/zinc/39/34/62/304393462.db2.gz VAABKYNEXIMROV-IUODEOHRSA-N 2 1 340.418 1.715 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)C1=CC[NH+](C)CC1 ZINC000371574872 156010424 /nfs/dbraw/zinc/01/04/24/156010424.db2.gz NEGWWZXVYYQWMN-UAGQMJEPSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)C1=CC[NH+](C)CC1 ZINC000371574872 156010427 /nfs/dbraw/zinc/01/04/27/156010427.db2.gz NEGWWZXVYYQWMN-UAGQMJEPSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1)C1=CC[N@H+](C)CC1 ZINC000371574872 156010431 /nfs/dbraw/zinc/01/04/31/156010431.db2.gz NEGWWZXVYYQWMN-UAGQMJEPSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1)C1=CC[N@@H+](C)CC1 ZINC000371574872 156010433 /nfs/dbraw/zinc/01/04/33/156010433.db2.gz NEGWWZXVYYQWMN-UAGQMJEPSA-N 2 1 336.480 1.189 20 0 EDADMP CCc1cc(=O)[nH]c(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000371692335 156066132 /nfs/dbraw/zinc/06/61/32/156066132.db2.gz IKZDGPYWNJDJKX-AWEZNQCLSA-N 2 1 333.480 1.345 20 0 EDADMP CCc1cc(=O)[nH]c(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000371692335 156066135 /nfs/dbraw/zinc/06/61/35/156066135.db2.gz IKZDGPYWNJDJKX-AWEZNQCLSA-N 2 1 333.480 1.345 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000371730340 156079716 /nfs/dbraw/zinc/07/97/16/156079716.db2.gz RLAISIQMDOJKEG-KRWDZBQOSA-N 2 1 347.507 1.831 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000372005632 156207679 /nfs/dbraw/zinc/20/76/79/156207679.db2.gz BRMXVBPOBVYVMF-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000372005632 156207684 /nfs/dbraw/zinc/20/76/84/156207684.db2.gz BRMXVBPOBVYVMF-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP Cc1nnccc1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000372231465 156279421 /nfs/dbraw/zinc/27/94/21/156279421.db2.gz BEAKCGNOARGTJL-UHFFFAOYSA-N 2 1 331.464 1.465 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCC(=O)NC(N)=O ZINC000374104897 157144069 /nfs/dbraw/zinc/14/40/69/157144069.db2.gz GTQAYZMBSZKHEU-GDBMZVCRSA-N 2 1 332.448 1.414 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCC(=O)NC(N)=O ZINC000374104897 157144070 /nfs/dbraw/zinc/14/40/70/157144070.db2.gz GTQAYZMBSZKHEU-GDBMZVCRSA-N 2 1 332.448 1.414 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCC(=O)NC(N)=O ZINC000374104897 157144072 /nfs/dbraw/zinc/14/40/72/157144072.db2.gz GTQAYZMBSZKHEU-GDBMZVCRSA-N 2 1 332.448 1.414 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCC(=O)NC(N)=O ZINC000374104897 157144074 /nfs/dbraw/zinc/14/40/74/157144074.db2.gz GTQAYZMBSZKHEU-GDBMZVCRSA-N 2 1 332.448 1.414 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)CC1 ZINC000374731286 157380804 /nfs/dbraw/zinc/38/08/04/157380804.db2.gz JJIKQPAEMSZYNO-MRXNPFEDSA-N 2 1 338.496 1.391 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000374731286 157380807 /nfs/dbraw/zinc/38/08/07/157380807.db2.gz JJIKQPAEMSZYNO-MRXNPFEDSA-N 2 1 338.496 1.391 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000374731286 157380810 /nfs/dbraw/zinc/38/08/10/157380810.db2.gz JJIKQPAEMSZYNO-MRXNPFEDSA-N 2 1 338.496 1.391 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000377932584 158032560 /nfs/dbraw/zinc/03/25/60/158032560.db2.gz NFAVEYZGYJFART-PBHICJAKSA-N 2 1 329.460 1.426 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377932584 158032561 /nfs/dbraw/zinc/03/25/61/158032561.db2.gz NFAVEYZGYJFART-PBHICJAKSA-N 2 1 329.460 1.426 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377932584 158032564 /nfs/dbraw/zinc/03/25/64/158032564.db2.gz NFAVEYZGYJFART-PBHICJAKSA-N 2 1 329.460 1.426 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3[nH]cnc3C2)c1 ZINC000377972499 158044124 /nfs/dbraw/zinc/04/41/24/158044124.db2.gz WGGWVKCUICNZCL-AWEZNQCLSA-N 2 1 341.415 1.084 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000378204902 158109362 /nfs/dbraw/zinc/10/93/62/158109362.db2.gz WJKHXVVKHSVARD-FUHWJXTLSA-N 2 1 333.476 1.893 20 0 EDADMP CC[NH+](CC)CCSCC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000378297713 158132369 /nfs/dbraw/zinc/13/23/69/158132369.db2.gz FVUSFPPOEWRJRH-HZPDHXFCSA-N 2 1 343.537 1.431 20 0 EDADMP CC[NH+](CC)CCSCC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000378297713 158132372 /nfs/dbraw/zinc/13/23/72/158132372.db2.gz FVUSFPPOEWRJRH-HZPDHXFCSA-N 2 1 343.537 1.431 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@H](O)c3ccccc3F)C2)CC1 ZINC000378431720 158171094 /nfs/dbraw/zinc/17/10/94/158171094.db2.gz FPPKFFXASNZKIQ-LPHOPBHVSA-N 2 1 335.467 1.819 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000352149669 162014520 /nfs/dbraw/zinc/01/45/20/162014520.db2.gz UPZKUJIHXVWEMU-HOTGVXAUSA-N 2 1 328.501 1.373 20 0 EDADMP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C[C@@H](C)O ZINC000352231187 162062298 /nfs/dbraw/zinc/06/22/98/162062298.db2.gz PVPPWSGGOCTLDW-QGZVFWFLSA-N 2 1 347.503 1.778 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000352258076 162078816 /nfs/dbraw/zinc/07/88/16/162078816.db2.gz SKPIMVPPWZSMCD-MRXNPFEDSA-N 2 1 341.521 1.768 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H]3CCCc4nccn43)CC2)CCO1 ZINC000352452425 162188605 /nfs/dbraw/zinc/18/86/05/162188605.db2.gz GDKUUVDETVCBMA-GDBMZVCRSA-N 2 1 332.448 1.472 20 0 EDADMP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)CCO1 ZINC000352452425 162188607 /nfs/dbraw/zinc/18/86/07/162188607.db2.gz GDKUUVDETVCBMA-GDBMZVCRSA-N 2 1 332.448 1.472 20 0 EDADMP O=S(=O)(CC[NH+]1CCCC1)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000366431579 162382484 /nfs/dbraw/zinc/38/24/84/162382484.db2.gz LHDUGPRFGVVMAR-INIZCTEOSA-N 2 1 343.537 1.799 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000073426481 287259995 /nfs/dbraw/zinc/25/99/95/287259995.db2.gz KGLHMEGSYQVRGN-KRWDZBQOSA-N 2 1 338.496 1.272 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000073426481 287259996 /nfs/dbraw/zinc/25/99/96/287259996.db2.gz KGLHMEGSYQVRGN-KRWDZBQOSA-N 2 1 338.496 1.272 20 0 EDADMP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000074493817 287271153 /nfs/dbraw/zinc/27/11/53/287271153.db2.gz LNRSLFYSKBNRSU-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000074493817 287271157 /nfs/dbraw/zinc/27/11/57/287271157.db2.gz LNRSLFYSKBNRSU-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000074493817 287271161 /nfs/dbraw/zinc/27/11/61/287271161.db2.gz LNRSLFYSKBNRSU-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000074873333 287274144 /nfs/dbraw/zinc/27/41/44/287274144.db2.gz OFKJNHUHWRIRJO-MRXNPFEDSA-N 2 1 328.501 1.469 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000074873333 287274146 /nfs/dbraw/zinc/27/41/46/287274146.db2.gz OFKJNHUHWRIRJO-MRXNPFEDSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261863980 287274960 /nfs/dbraw/zinc/27/49/60/287274960.db2.gz SLNWKBNDMVPMAG-JFIYKMOQSA-N 2 1 337.508 1.853 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)c1 ZINC000120599867 287362125 /nfs/dbraw/zinc/36/21/25/287362125.db2.gz UTDIICQSWXTPKW-CVEARBPZSA-N 2 1 343.475 1.847 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)CC2)c1 ZINC000120599867 287362129 /nfs/dbraw/zinc/36/21/29/287362129.db2.gz UTDIICQSWXTPKW-CVEARBPZSA-N 2 1 343.475 1.847 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCN2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000121545220 287372228 /nfs/dbraw/zinc/37/22/28/287372228.db2.gz UDFGACBUKZNCQE-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCSC1 ZINC000122570416 222115569 /nfs/dbraw/zinc/11/55/69/222115569.db2.gz XGZXDSAJNHGKCB-HZPDHXFCSA-N 2 1 325.522 1.804 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCSC1 ZINC000122570416 222115570 /nfs/dbraw/zinc/11/55/70/222115570.db2.gz XGZXDSAJNHGKCB-HZPDHXFCSA-N 2 1 325.522 1.804 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCSC1 ZINC000122570416 222115572 /nfs/dbraw/zinc/11/55/72/222115572.db2.gz XGZXDSAJNHGKCB-HZPDHXFCSA-N 2 1 325.522 1.804 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000418499476 304503794 /nfs/dbraw/zinc/50/37/94/304503794.db2.gz YAPYORVXNDZBDH-RLFYNMQTSA-N 2 1 346.475 1.568 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)C[NH2+]C[C@H]3CCCO3)CC2)[nH+]1 ZINC000237712830 273012122 /nfs/dbraw/zinc/01/21/22/273012122.db2.gz BNOCIJNVUZHQOX-MRXNPFEDSA-N 2 1 332.448 1.244 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000266255551 273020469 /nfs/dbraw/zinc/02/04/69/273020469.db2.gz TXLGPMWSTXEIHX-KRWDZBQOSA-N 2 1 331.460 1.543 20 0 EDADMP C[NH+](C)C/C=C/C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000274491933 268150598 /nfs/dbraw/zinc/15/05/98/268150598.db2.gz KEJIAXKLUGBMHA-OPUMOTSWSA-N 2 1 331.460 1.377 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000275445683 268344144 /nfs/dbraw/zinc/34/41/44/268344144.db2.gz KXFQLNOSVCXHAN-CQSZACIVSA-N 2 1 346.475 1.328 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC3=CCCOC3)CC2)CC1 ZINC000093141952 272917499 /nfs/dbraw/zinc/91/74/99/272917499.db2.gz FWDLYHWTCZTSMZ-UHFFFAOYSA-N 2 1 335.492 1.599 20 0 EDADMP C[NH+](C)C/C=C/C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000277279772 273186723 /nfs/dbraw/zinc/18/67/23/273186723.db2.gz IDYIYESABQYKTG-OPUMOTSWSA-N 2 1 331.460 1.512 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284225608 274123649 /nfs/dbraw/zinc/12/36/49/274123649.db2.gz USPVNXZKHXHMQE-UYAOXDASSA-N 2 1 347.503 1.276 20 0 EDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000285346080 274516223 /nfs/dbraw/zinc/51/62/23/274516223.db2.gz AOHAKUYTFISNDV-ZFWWWQNUSA-N 2 1 340.493 1.345 20 0 EDADMP CCC[C@H](C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)[NH+](C)C ZINC000367285359 276037513 /nfs/dbraw/zinc/03/75/13/276037513.db2.gz JXMCSIRAAJRQCA-GOSISDBHSA-N 2 1 338.540 1.734 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000357279577 276132637 /nfs/dbraw/zinc/13/26/37/276132637.db2.gz YYZJBVSSPXSZER-DOTOQJQBSA-N 2 1 336.480 1.291 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000346278051 276239126 /nfs/dbraw/zinc/23/91/26/276239126.db2.gz PJMIXIXWKXUJKR-HZPDHXFCSA-N 2 1 339.528 1.137 20 0 EDADMP CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372488139 276326640 /nfs/dbraw/zinc/32/66/40/276326640.db2.gz XKVQZANYGPXJIO-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372488139 276326641 /nfs/dbraw/zinc/32/66/41/276326641.db2.gz XKVQZANYGPXJIO-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(N(C)C)cn1 ZINC000444160548 276370893 /nfs/dbraw/zinc/37/08/93/276370893.db2.gz ZDHHTPMIFGLHAJ-QGZVFWFLSA-N 2 1 347.507 1.636 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000417942501 277166292 /nfs/dbraw/zinc/16/62/92/277166292.db2.gz OBUYEHAVOMVPMC-MHORFTMASA-N 2 1 328.460 1.683 20 0 EDADMP COC1CCC(C)(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000355129423 277192608 /nfs/dbraw/zinc/19/26/08/277192608.db2.gz ITSHNHYALOPNLN-UHFFFAOYSA-N 2 1 347.507 1.913 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)C1 ZINC000360735680 279149974 /nfs/dbraw/zinc/14/99/74/279149974.db2.gz RSCPDSRVZWDSHB-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)C1 ZINC000360735680 279149978 /nfs/dbraw/zinc/14/99/78/279149978.db2.gz RSCPDSRVZWDSHB-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000341093474 279357373 /nfs/dbraw/zinc/35/73/73/279357373.db2.gz VGPUGPDVWIBOSB-UHFFFAOYSA-N 2 1 332.492 1.725 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)C[NH+](C)C)cc2F)CC1 ZINC000346159692 279373830 /nfs/dbraw/zinc/37/38/30/279373830.db2.gz LTCOUTOSRRQCHS-CQSZACIVSA-N 2 1 336.455 1.648 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418114319 288162575 /nfs/dbraw/zinc/16/25/75/288162575.db2.gz LNXPNDJFZUMLSA-ZBFHGGJFSA-N 2 1 326.485 1.304 20 0 EDADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262029133 282009159 /nfs/dbraw/zinc/00/91/59/282009159.db2.gz XJMCINRQANOBOQ-IPMKNSEASA-N 2 1 345.487 1.678 20 0 EDADMP Cn1cc([C@@H]2[C@@H](CNc3[nH+]cnc4[nH]ccc43)CCC[N@@H+]2C)cn1 ZINC000377703320 447305556 /nfs/dbraw/zinc/30/55/56/447305556.db2.gz MGHNKNFPEXAKHM-DOMZBBRYSA-N 2 1 325.420 2.186 20 0 EDADMP Cn1cc([C@@H]2[C@@H](CNc3[nH+]cnc4[nH]ccc43)CCC[N@H+]2C)cn1 ZINC000377703320 447305560 /nfs/dbraw/zinc/30/55/60/447305560.db2.gz MGHNKNFPEXAKHM-DOMZBBRYSA-N 2 1 325.420 2.186 20 0 EDADMP Cc1ccccc1-n1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)nn1 ZINC000289890768 288797768 /nfs/dbraw/zinc/79/77/68/288797768.db2.gz XUERZHGONKLXMD-UHFFFAOYSA-N 2 1 343.475 1.901 20 0 EDADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414755000 447322979 /nfs/dbraw/zinc/32/29/79/447322979.db2.gz GYJHXEAVGPXJMH-CRAIPNDOSA-N 2 1 339.480 1.095 20 0 EDADMP COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000294949588 303156307 /nfs/dbraw/zinc/15/63/07/303156307.db2.gz CXXTVYKCVCOAGO-KRWDZBQOSA-N 2 1 330.388 1.279 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000296307794 303308688 /nfs/dbraw/zinc/30/86/88/303308688.db2.gz WFVMPSIYFQDCSA-OAHLLOKOSA-N 2 1 346.475 1.629 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000372877313 447332756 /nfs/dbraw/zinc/33/27/56/447332756.db2.gz KOLKEYOYHQYUHJ-CYJAXWMASA-N 2 1 337.508 1.709 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000414869577 447336727 /nfs/dbraw/zinc/33/67/27/447336727.db2.gz RKLRXDJABRADJZ-UFYCRDLUSA-N 3 1 328.504 1.392 20 0 EDADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000422744364 304879684 /nfs/dbraw/zinc/87/96/84/304879684.db2.gz VXIUXVZDKJKTFK-ZFWWWQNUSA-N 2 1 325.478 1.461 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1 ZINC000414892313 447346695 /nfs/dbraw/zinc/34/66/95/447346695.db2.gz YBAUMYQKHXLYSA-KRWDZBQOSA-N 2 1 346.475 1.533 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1 ZINC000414892313 447346699 /nfs/dbraw/zinc/34/66/99/447346699.db2.gz YBAUMYQKHXLYSA-KRWDZBQOSA-N 2 1 346.475 1.533 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000422963161 304881278 /nfs/dbraw/zinc/88/12/78/304881278.db2.gz HTPDIHJFLJKECA-CYBMUJFWSA-N 2 1 340.493 1.595 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428034007 305004687 /nfs/dbraw/zinc/00/46/87/305004687.db2.gz BQNIGBLWVDSDDS-PBHICJAKSA-N 2 1 327.428 1.747 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCC[C@H](C[NH3+])C2)CC1 ZINC000430627509 305059943 /nfs/dbraw/zinc/05/99/43/305059943.db2.gz MEELNYDBRWJPST-GOSISDBHSA-N 2 1 344.503 1.310 20 0 EDADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430627395 305059958 /nfs/dbraw/zinc/05/99/58/305059958.db2.gz NBVAZBCVANFYHB-CVEARBPZSA-N 2 1 344.459 1.157 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)COC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000430734360 305063562 /nfs/dbraw/zinc/06/35/62/305063562.db2.gz MKPHHELEURIRNL-WBVHZDCISA-N 2 1 331.460 1.486 20 0 EDADMP COCC[C@@]1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000430771117 305064537 /nfs/dbraw/zinc/06/45/37/305064537.db2.gz BGNULFIIJCFPAO-QUCCMNQESA-N 2 1 345.487 1.783 20 0 EDADMP COc1cccc(S(=O)(=O)CC[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000430919910 305068200 /nfs/dbraw/zinc/06/82/00/305068200.db2.gz MYJJYPYBSGSHEH-ZDUSSCGKSA-N 2 1 326.462 1.528 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430955152 305070530 /nfs/dbraw/zinc/07/05/30/305070530.db2.gz YLMRIKAZNUAPJL-FUUWLHQZSA-N 2 1 348.491 1.450 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430955152 305070531 /nfs/dbraw/zinc/07/05/31/305070531.db2.gz YLMRIKAZNUAPJL-FUUWLHQZSA-N 2 1 348.491 1.450 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](CCO)[C@H]2CCCSC2)CC1 ZINC000433193076 305102682 /nfs/dbraw/zinc/10/26/82/305102682.db2.gz OIWMMZCFLCLWNI-KRWDZBQOSA-N 2 1 329.554 1.592 20 0 EDADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+](C)C1CC1 ZINC000433327861 305106037 /nfs/dbraw/zinc/10/60/37/305106037.db2.gz BFEDYXRYPKOIES-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](CNC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[N@H+](C)C1CC1 ZINC000433327861 305106038 /nfs/dbraw/zinc/10/60/38/305106038.db2.gz BFEDYXRYPKOIES-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](CNC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000433327861 305106039 /nfs/dbraw/zinc/10/60/39/305106039.db2.gz BFEDYXRYPKOIES-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[C@H]1[NH+](C)C ZINC000433457011 305109597 /nfs/dbraw/zinc/10/95/97/305109597.db2.gz OBTXMONPLAIKHA-BZUAXINKSA-N 2 1 326.485 1.079 20 0 EDADMP CC[N@H+](CCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC000435509955 305141505 /nfs/dbraw/zinc/14/15/05/305141505.db2.gz DVJXUWJNMVOMDB-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435559896 305142311 /nfs/dbraw/zinc/14/23/11/305142311.db2.gz RNMBQJRRQGWYLF-OAHLLOKOSA-N 2 1 333.480 1.231 20 0 EDADMP CC[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435629914 305144133 /nfs/dbraw/zinc/14/41/33/305144133.db2.gz VNUCDEZHXRSUSU-CQSZACIVSA-N 2 1 341.477 1.177 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC000436294403 305155607 /nfs/dbraw/zinc/15/56/07/305155607.db2.gz OPIGVLIEDGYIQW-HIFRSBDPSA-N 2 1 343.468 1.519 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)CC[N@H+]1C ZINC000436294403 305155608 /nfs/dbraw/zinc/15/56/08/305155608.db2.gz OPIGVLIEDGYIQW-HIFRSBDPSA-N 2 1 343.468 1.519 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000438890384 305190738 /nfs/dbraw/zinc/19/07/38/305190738.db2.gz NEJOOJIKBVRVDJ-YOEHRIQHSA-N 2 1 328.460 1.886 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC1(C)C ZINC000441389420 305221855 /nfs/dbraw/zinc/22/18/55/305221855.db2.gz ZLCALLXYLGJLPM-UHFFFAOYSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)[C@@H](C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000442968612 305232308 /nfs/dbraw/zinc/23/23/08/305232308.db2.gz SIRPWDHQFXSYFQ-KRWDZBQOSA-N 2 1 338.540 1.639 20 0 EDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000443069298 305234605 /nfs/dbraw/zinc/23/46/05/305234605.db2.gz JMEOANFWFRDCFI-AWEZNQCLSA-N 2 1 341.402 1.965 20 0 EDADMP CC[NH+](CC)CCOCC[NH2+]Cc1c(Br)c(C)nn1C ZINC000447895619 305288006 /nfs/dbraw/zinc/28/80/06/305288006.db2.gz ZGVNZQOWEZMRIP-UHFFFAOYSA-N 2 1 347.301 1.939 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000448253063 305294492 /nfs/dbraw/zinc/29/44/92/305294492.db2.gz VIJHWMYNYHZRJA-HOTGVXAUSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000449144123 305307882 /nfs/dbraw/zinc/30/78/82/305307882.db2.gz YICGQWYYGZZXLJ-NQIIRXRSSA-N 2 1 344.547 1.917 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449342505 305312001 /nfs/dbraw/zinc/31/20/01/305312001.db2.gz BYHARWVPQIEQHP-HKUYNNGSSA-N 2 1 331.460 1.145 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CC[C@@H](C)O3)C2)CC1 ZINC000451531500 305351348 /nfs/dbraw/zinc/35/13/48/305351348.db2.gz RVIYOKKWKJYDJY-NZSAHSFTSA-N 2 1 337.508 1.820 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CC[C@@H](C)O3)C2)CC1 ZINC000451531500 305351349 /nfs/dbraw/zinc/35/13/49/305351349.db2.gz RVIYOKKWKJYDJY-NZSAHSFTSA-N 2 1 337.508 1.820 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H]3CC[C@@H](C)O3)C2)CC1 ZINC000451531500 305351350 /nfs/dbraw/zinc/35/13/50/305351350.db2.gz RVIYOKKWKJYDJY-NZSAHSFTSA-N 2 1 337.508 1.820 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H]3CC[C@@H](C)O3)C2)CC1 ZINC000451531500 305351351 /nfs/dbraw/zinc/35/13/51/305351351.db2.gz RVIYOKKWKJYDJY-NZSAHSFTSA-N 2 1 337.508 1.820 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCOCC(C)C)C2)CC1 ZINC000451531923 305351615 /nfs/dbraw/zinc/35/16/15/305351615.db2.gz SWARYEOXNRLDNY-IBGZPJMESA-N 2 1 339.524 1.925 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCOCC(C)C)C2)CC1 ZINC000451531923 305351616 /nfs/dbraw/zinc/35/16/16/305351616.db2.gz SWARYEOXNRLDNY-IBGZPJMESA-N 2 1 339.524 1.925 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCOCC(C)C)C2)CC1 ZINC000451531923 305351617 /nfs/dbraw/zinc/35/16/17/305351617.db2.gz SWARYEOXNRLDNY-IBGZPJMESA-N 2 1 339.524 1.925 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCOCC(C)C)C2)CC1 ZINC000451531923 305351618 /nfs/dbraw/zinc/35/16/18/305351618.db2.gz SWARYEOXNRLDNY-IBGZPJMESA-N 2 1 339.524 1.925 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@@H]21 ZINC000451625566 305356932 /nfs/dbraw/zinc/35/69/32/305356932.db2.gz QGLLRGXZZVNVGQ-AABGKKOBSA-N 2 1 329.488 1.913 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@@H]21 ZINC000451625566 305356933 /nfs/dbraw/zinc/35/69/33/305356933.db2.gz QGLLRGXZZVNVGQ-AABGKKOBSA-N 2 1 329.488 1.913 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@@H]21 ZINC000451625566 305356934 /nfs/dbraw/zinc/35/69/34/305356934.db2.gz QGLLRGXZZVNVGQ-AABGKKOBSA-N 2 1 329.488 1.913 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)CN1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1ccccc1 ZINC000451624500 305357026 /nfs/dbraw/zinc/35/70/26/305357026.db2.gz NGOGOKRCZSQQSQ-OKZBNKHCSA-N 2 1 330.476 1.041 20 0 EDADMP O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000452381406 305395355 /nfs/dbraw/zinc/39/53/55/305395355.db2.gz JJXXARYHXSJAHV-FUHWJXTLSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000452381406 305395356 /nfs/dbraw/zinc/39/53/56/305395356.db2.gz JJXXARYHXSJAHV-FUHWJXTLSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000452381406 305395357 /nfs/dbraw/zinc/39/53/57/305395357.db2.gz JJXXARYHXSJAHV-FUHWJXTLSA-N 2 1 337.508 1.747 20 0 EDADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[NH+](CCO)CC3)ccc21 ZINC000455876081 305447891 /nfs/dbraw/zinc/44/78/91/305447891.db2.gz BBOLDRJRDMXEEJ-KRWDZBQOSA-N 2 1 332.448 1.377 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000414907289 447351609 /nfs/dbraw/zinc/35/16/09/447351609.db2.gz QFLWZUJNMDMGNI-CVEARBPZSA-N 2 1 330.432 1.040 20 0 EDADMP CN(C)c1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1 ZINC000517651956 305754715 /nfs/dbraw/zinc/75/47/15/305754715.db2.gz VJZOUFFLIKAZEV-UHFFFAOYSA-N 2 1 340.431 1.547 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)COc2ccc(O)cc2)CC1 ZINC000524796602 305820377 /nfs/dbraw/zinc/82/03/77/305820377.db2.gz ONADJKHWWVBOOQ-UHFFFAOYSA-N 2 1 342.399 1.557 20 0 EDADMP C[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)CN1CC[NH+](C)CC1 ZINC000458433264 447363510 /nfs/dbraw/zinc/36/35/10/447363510.db2.gz IUPJFUJUSQDLPR-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CCN1CCO[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000456333505 447364302 /nfs/dbraw/zinc/36/43/02/447364302.db2.gz LPDVNTGHKQIXMP-IEBWSBKVSA-N 2 1 345.487 1.688 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000456333505 447364310 /nfs/dbraw/zinc/36/43/10/447364310.db2.gz LPDVNTGHKQIXMP-IEBWSBKVSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000456333505 447364325 /nfs/dbraw/zinc/36/43/25/447364325.db2.gz LPDVNTGHKQIXMP-IEBWSBKVSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000456333505 447364332 /nfs/dbraw/zinc/36/43/32/447364332.db2.gz LPDVNTGHKQIXMP-IEBWSBKVSA-N 2 1 345.487 1.688 20 0 EDADMP C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000542823922 306059128 /nfs/dbraw/zinc/05/91/28/306059128.db2.gz UPOPLXJGFDAVSI-NVXWUHKLSA-N 2 1 338.496 1.029 20 0 EDADMP CC[C@@H]1C[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC(=O)N1 ZINC000544505967 306075422 /nfs/dbraw/zinc/07/54/22/306075422.db2.gz RRVRHSGJARCTRB-ZIAGYGMSSA-N 2 1 345.447 1.077 20 0 EDADMP CC[NH+]1CCN([C@@H](C)CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548392255 306126544 /nfs/dbraw/zinc/12/65/44/306126544.db2.gz LMEUJSILUJLRQC-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP Cn1nccc1-c1ccccc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000552118029 306175447 /nfs/dbraw/zinc/17/54/47/306175447.db2.gz VUHKMIQAMNZTCD-UHFFFAOYSA-N 2 1 341.459 1.341 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCSC3)CC2)CC1 ZINC000422179811 447389609 /nfs/dbraw/zinc/38/96/09/447389609.db2.gz LNLQBJHAXRFVDT-OAHLLOKOSA-N 2 1 340.537 1.694 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCSC3)CC2)CC1 ZINC000422179811 447389615 /nfs/dbraw/zinc/38/96/15/447389615.db2.gz LNLQBJHAXRFVDT-OAHLLOKOSA-N 2 1 340.537 1.694 20 0 EDADMP Cn1cc([C@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)CCC[N@H+]2C)cn1 ZINC000377952039 447392128 /nfs/dbraw/zinc/39/21/28/447392128.db2.gz UAQWIZRSUGZZGL-NVXWUHKLSA-N 2 1 345.491 1.548 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419762546 447399952 /nfs/dbraw/zinc/39/99/52/447399952.db2.gz LZQLMEVOYWHPNN-UHFFFAOYSA-N 2 1 326.485 1.002 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000422248334 447422339 /nfs/dbraw/zinc/42/23/39/447422339.db2.gz ZRPPPHDMWHQUSY-FHERZECASA-N 2 1 326.485 1.221 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000422248334 447422341 /nfs/dbraw/zinc/42/23/41/447422341.db2.gz ZRPPPHDMWHQUSY-FHERZECASA-N 2 1 326.485 1.221 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000081298440 441250594 /nfs/dbraw/zinc/25/05/94/441250594.db2.gz DUBAYMXJWBXWCX-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000081298440 441250599 /nfs/dbraw/zinc/25/05/99/441250599.db2.gz DUBAYMXJWBXWCX-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000081298440 441250603 /nfs/dbraw/zinc/25/06/03/441250603.db2.gz DUBAYMXJWBXWCX-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000081298440 441250608 /nfs/dbraw/zinc/25/06/08/441250608.db2.gz DUBAYMXJWBXWCX-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP COCC[N@H+](C)CC[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)c1ccccc1 ZINC000081349364 441255840 /nfs/dbraw/zinc/25/58/40/441255840.db2.gz PHGUBZNWAGYVML-ROUUACIJSA-N 2 1 349.475 1.143 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)c1ccccc1 ZINC000081349364 441255841 /nfs/dbraw/zinc/25/58/41/441255841.db2.gz PHGUBZNWAGYVML-ROUUACIJSA-N 2 1 349.475 1.143 20 0 EDADMP COCC[NH+](C)CC[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000081349364 441255842 /nfs/dbraw/zinc/25/58/42/441255842.db2.gz PHGUBZNWAGYVML-ROUUACIJSA-N 2 1 349.475 1.143 20 0 EDADMP COCC[NH+](C)CC[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000081349364 441255843 /nfs/dbraw/zinc/25/58/43/441255843.db2.gz PHGUBZNWAGYVML-ROUUACIJSA-N 2 1 349.475 1.143 20 0 EDADMP COCC[N@H+](C)CC[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)c1ccccc1 ZINC000081349367 441256530 /nfs/dbraw/zinc/25/65/30/441256530.db2.gz PHGUBZNWAGYVML-ZWKOTPCHSA-N 2 1 349.475 1.143 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)c1ccccc1 ZINC000081349367 441256532 /nfs/dbraw/zinc/25/65/32/441256532.db2.gz PHGUBZNWAGYVML-ZWKOTPCHSA-N 2 1 349.475 1.143 20 0 EDADMP COCC[NH+](C)CC[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000081349367 441256534 /nfs/dbraw/zinc/25/65/34/441256534.db2.gz PHGUBZNWAGYVML-ZWKOTPCHSA-N 2 1 349.475 1.143 20 0 EDADMP COCC[NH+](C)CC[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000081349367 441256536 /nfs/dbraw/zinc/25/65/36/441256536.db2.gz PHGUBZNWAGYVML-ZWKOTPCHSA-N 2 1 349.475 1.143 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000081359511 441256928 /nfs/dbraw/zinc/25/69/28/441256928.db2.gz GUWSLGMRFQJJEA-GOSISDBHSA-N 2 1 349.450 1.485 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000081359511 441256931 /nfs/dbraw/zinc/25/69/31/441256931.db2.gz GUWSLGMRFQJJEA-GOSISDBHSA-N 2 1 349.450 1.485 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CN2CC[NH+](CC)CC2)C1 ZINC000081378019 441261574 /nfs/dbraw/zinc/26/15/74/441261574.db2.gz FDQWBCWQZWGYCU-KRWDZBQOSA-N 2 1 338.540 1.641 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000081400984 441263611 /nfs/dbraw/zinc/26/36/11/441263611.db2.gz XPIAJVUOZKAYOL-SFHVURJKSA-N 2 1 331.460 1.440 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000081400984 441263615 /nfs/dbraw/zinc/26/36/15/441263615.db2.gz XPIAJVUOZKAYOL-SFHVURJKSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000081996592 441329849 /nfs/dbraw/zinc/32/98/49/441329849.db2.gz ZAGFORNKGLNQJK-KRWDZBQOSA-N 2 1 325.497 1.866 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C1CC[NH+](C)CC1 ZINC000073882867 441365105 /nfs/dbraw/zinc/36/51/05/441365105.db2.gz GAUNHPPPKLQWAZ-UHFFFAOYSA-N 2 1 344.503 1.609 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C2)CC1 ZINC000107370537 441414266 /nfs/dbraw/zinc/41/42/66/441414266.db2.gz LKPSKZAJHWXKII-ZWKOTPCHSA-N 2 1 338.540 1.732 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000085457243 441442621 /nfs/dbraw/zinc/44/26/21/441442621.db2.gz ICZGFIOVQBVYLT-BBWFWOEESA-N 2 1 325.497 1.866 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000085457243 441442624 /nfs/dbraw/zinc/44/26/24/441442624.db2.gz ICZGFIOVQBVYLT-BBWFWOEESA-N 2 1 325.497 1.866 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000085457243 441442627 /nfs/dbraw/zinc/44/26/27/441442627.db2.gz ICZGFIOVQBVYLT-BBWFWOEESA-N 2 1 325.497 1.866 20 0 EDADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)C1CC1 ZINC000089344440 441539235 /nfs/dbraw/zinc/53/92/35/441539235.db2.gz MZLLXMACCJIYHD-UHFFFAOYSA-N 2 1 337.508 1.747 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCn3cccn3)CC2)CC1 ZINC000066568515 441545057 /nfs/dbraw/zinc/54/50/57/441545057.db2.gz RVONEAWUXBYBJY-UHFFFAOYSA-N 2 1 333.480 1.149 20 0 EDADMP C[N@@H+](CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCSC1 ZINC000089393252 441545131 /nfs/dbraw/zinc/54/51/31/441545131.db2.gz MBDPKXYWAOERGK-KRWDZBQOSA-N 2 1 348.516 1.852 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089893038 441590853 /nfs/dbraw/zinc/59/08/53/441590853.db2.gz HRCXYWHWHWYKJH-NXHRZFHOSA-N 2 1 348.491 1.261 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CC12CC[NH2+]CC2 ZINC000137186769 441753174 /nfs/dbraw/zinc/75/31/74/441753174.db2.gz OHURVYBZLNTBEN-GOSISDBHSA-N 2 1 327.472 1.941 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000068080024 441724321 /nfs/dbraw/zinc/72/43/21/441724321.db2.gz XGCBWKZQSMZPJM-KRWDZBQOSA-N 2 1 346.519 1.894 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1CCCCC1)CN1CC[NH+](C)CC1 ZINC000173528682 441780647 /nfs/dbraw/zinc/78/06/47/441780647.db2.gz SJONEWREYHVZND-QGZVFWFLSA-N 2 1 339.528 1.045 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000077572752 441806967 /nfs/dbraw/zinc/80/69/67/441806967.db2.gz DILWYPRDEYKGSP-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000077572752 441806972 /nfs/dbraw/zinc/80/69/72/441806972.db2.gz DILWYPRDEYKGSP-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000077572752 441806977 /nfs/dbraw/zinc/80/69/77/441806977.db2.gz DILWYPRDEYKGSP-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000077572752 441806981 /nfs/dbraw/zinc/80/69/81/441806981.db2.gz DILWYPRDEYKGSP-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000068591221 441828171 /nfs/dbraw/zinc/82/81/71/441828171.db2.gz XNWYISPFESEKAX-OAHLLOKOSA-N 2 1 338.521 1.958 20 0 EDADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1N(C)C ZINC000093944688 441900756 /nfs/dbraw/zinc/90/07/56/441900756.db2.gz XFDDHFJPGDOZAJ-HOTGVXAUSA-N 2 1 332.492 1.991 20 0 EDADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1N(C)C ZINC000093944688 441900759 /nfs/dbraw/zinc/90/07/59/441900759.db2.gz XFDDHFJPGDOZAJ-HOTGVXAUSA-N 2 1 332.492 1.991 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000174453570 441926332 /nfs/dbraw/zinc/92/63/32/441926332.db2.gz SBOJHNBLCVTZHF-GJZGRUSLSA-N 2 1 337.489 1.722 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000174453570 441926338 /nfs/dbraw/zinc/92/63/38/441926338.db2.gz SBOJHNBLCVTZHF-GJZGRUSLSA-N 2 1 337.489 1.722 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[NH+]3C)c2C1 ZINC000118103444 441887535 /nfs/dbraw/zinc/88/75/35/441887535.db2.gz OTQIGYFPKYSSPR-HNNXBMFYSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[NH+]3C)c2C1 ZINC000118103444 441887537 /nfs/dbraw/zinc/88/75/37/441887537.db2.gz OTQIGYFPKYSSPR-HNNXBMFYSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+]3C)c2C1 ZINC000118103444 441887540 /nfs/dbraw/zinc/88/75/40/441887540.db2.gz OTQIGYFPKYSSPR-HNNXBMFYSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+]3C)c2C1 ZINC000118103444 441887541 /nfs/dbraw/zinc/88/75/41/441887541.db2.gz OTQIGYFPKYSSPR-HNNXBMFYSA-N 2 1 344.459 1.561 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123489364 441889018 /nfs/dbraw/zinc/88/90/18/441889018.db2.gz WLUJSKXXDXTOAR-QGTPRVQTSA-N 2 1 349.475 1.799 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123489364 441889022 /nfs/dbraw/zinc/88/90/22/441889022.db2.gz WLUJSKXXDXTOAR-QGTPRVQTSA-N 2 1 349.475 1.799 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123489364 441889029 /nfs/dbraw/zinc/88/90/29/441889029.db2.gz WLUJSKXXDXTOAR-QGTPRVQTSA-N 2 1 349.475 1.799 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123489364 441889034 /nfs/dbraw/zinc/88/90/34/441889034.db2.gz WLUJSKXXDXTOAR-QGTPRVQTSA-N 2 1 349.475 1.799 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000118118538 441890610 /nfs/dbraw/zinc/89/06/10/441890610.db2.gz HTBSUGQXNGLLDK-CQSZACIVSA-N 2 1 334.464 1.533 20 0 EDADMP COc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c(C)n1 ZINC000123835087 441900422 /nfs/dbraw/zinc/90/04/22/441900422.db2.gz NISJGHBGTUOFPH-UHFFFAOYSA-N 2 1 349.479 1.888 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cc2)C[C@@H](C)O1 ZINC000125017365 441975721 /nfs/dbraw/zinc/97/57/21/441975721.db2.gz FPAQXISIMOTHPC-BZUAXINKSA-N 2 1 331.460 1.730 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000078501178 441938206 /nfs/dbraw/zinc/93/82/06/441938206.db2.gz FBBUDNAGMLQQDG-IYBDPMFKSA-N 2 1 340.512 1.659 20 0 EDADMP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3CCCC[N@@H+]3C)ccc2oc1=O ZINC000078599865 441948053 /nfs/dbraw/zinc/94/80/53/441948053.db2.gz YCCXGPJZVFTPIV-CQSZACIVSA-N 2 1 346.431 1.579 20 0 EDADMP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3CCCC[N@H+]3C)ccc2oc1=O ZINC000078599865 441948055 /nfs/dbraw/zinc/94/80/55/441948055.db2.gz YCCXGPJZVFTPIV-CQSZACIVSA-N 2 1 346.431 1.579 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000079268763 442034336 /nfs/dbraw/zinc/03/43/36/442034336.db2.gz JLUNQKXTSWBRQU-MRXNPFEDSA-N 2 1 326.485 1.272 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000151269246 442034349 /nfs/dbraw/zinc/03/43/49/442034349.db2.gz RATARBBPOFPETK-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP Cc1[nH+]ccn1-c1cncc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000161943803 442046887 /nfs/dbraw/zinc/04/68/87/442046887.db2.gz PPTXNXVEAWRFDR-CQSZACIVSA-N 2 1 344.463 1.500 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000175558464 442085331 /nfs/dbraw/zinc/08/53/31/442085331.db2.gz GBXXUGKUEGNGBI-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000175734603 442113893 /nfs/dbraw/zinc/11/38/93/442113893.db2.gz FOEOEHTYEZYMIO-SFHVURJKSA-N 2 1 348.491 1.653 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000175734603 442113895 /nfs/dbraw/zinc/11/38/95/442113895.db2.gz FOEOEHTYEZYMIO-SFHVURJKSA-N 2 1 348.491 1.653 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000175734603 442113898 /nfs/dbraw/zinc/11/38/98/442113898.db2.gz FOEOEHTYEZYMIO-SFHVURJKSA-N 2 1 348.491 1.653 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000175734603 442113901 /nfs/dbraw/zinc/11/39/01/442113901.db2.gz FOEOEHTYEZYMIO-SFHVURJKSA-N 2 1 348.491 1.653 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000126783171 442143176 /nfs/dbraw/zinc/14/31/76/442143176.db2.gz INOGWCLZJSVCTD-MSOLQXFVSA-N 2 1 331.460 1.731 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000126783171 442143179 /nfs/dbraw/zinc/14/31/79/442143179.db2.gz INOGWCLZJSVCTD-MSOLQXFVSA-N 2 1 331.460 1.731 20 0 EDADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458670213 447446608 /nfs/dbraw/zinc/44/66/08/447446608.db2.gz XDALCIFPBQIFTE-DLBZAZTESA-N 2 1 340.512 1.397 20 0 EDADMP Cc1ccc(NCCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[nH+]c1 ZINC000152153527 442172999 /nfs/dbraw/zinc/17/29/99/442172999.db2.gz DDFLRSAEOCJIIR-KRWDZBQOSA-N 2 1 346.475 1.952 20 0 EDADMP Cc1ccc(NCCCNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[nH+]c1 ZINC000152153527 442173005 /nfs/dbraw/zinc/17/30/05/442173005.db2.gz DDFLRSAEOCJIIR-KRWDZBQOSA-N 2 1 346.475 1.952 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000127192304 442179149 /nfs/dbraw/zinc/17/91/49/442179149.db2.gz HUVRICVFXJFPTQ-UHFFFAOYSA-N 2 1 342.447 1.288 20 0 EDADMP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000164598516 442199432 /nfs/dbraw/zinc/19/94/32/442199432.db2.gz QFHMPLFORSVJAL-YJBOKZPZSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000164598516 442199435 /nfs/dbraw/zinc/19/94/35/442199435.db2.gz QFHMPLFORSVJAL-YJBOKZPZSA-N 2 1 331.460 1.523 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000176293641 442205930 /nfs/dbraw/zinc/20/59/30/442205930.db2.gz OBFVBNZHCRQWMA-OAHLLOKOSA-N 2 1 349.479 1.334 20 0 EDADMP C[C@H]1CCCC[C@@H]1OCCNC(=O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152495135 442220010 /nfs/dbraw/zinc/22/00/10/442220010.db2.gz YNDMFGVXEWVFKR-KSZLIROESA-N 2 1 339.524 1.972 20 0 EDADMP COCC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168514987 442224918 /nfs/dbraw/zinc/22/49/18/442224918.db2.gz PQCWYSYSKUXPPR-SJLPKXTDSA-N 2 1 333.476 1.734 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CN2CCOCC2)[C@H](C)C1 ZINC000153189395 442266699 /nfs/dbraw/zinc/26/66/99/442266699.db2.gz ROKYCTSINSWVPN-QRVBRYPASA-N 2 1 341.540 1.681 20 0 EDADMP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000170920178 442288726 /nfs/dbraw/zinc/28/87/26/442288726.db2.gz LJNPKJPWEGPZMQ-LJQANCHMSA-N 2 1 344.503 1.262 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000129501984 442319486 /nfs/dbraw/zinc/31/94/86/442319486.db2.gz IBAIUAKRRROQQY-ZACQAIPSSA-N 2 1 340.512 1.326 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000129501984 442319490 /nfs/dbraw/zinc/31/94/90/442319490.db2.gz IBAIUAKRRROQQY-ZACQAIPSSA-N 2 1 340.512 1.326 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000171203215 442327609 /nfs/dbraw/zinc/32/76/09/442327609.db2.gz MNHQHDAZGBIHID-UHFFFAOYSA-N 2 1 340.512 1.518 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCSC1 ZINC000132416278 442392853 /nfs/dbraw/zinc/39/28/53/442392853.db2.gz LXCBTOIREZYSPG-MRXNPFEDSA-N 2 1 325.522 1.947 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000133968289 442443286 /nfs/dbraw/zinc/44/32/86/442443286.db2.gz BRJPATYTWZSURX-HNNXBMFYSA-N 2 1 335.496 1.562 20 0 EDADMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000178669950 442454185 /nfs/dbraw/zinc/45/41/85/442454185.db2.gz BCPNLYBPNLNWCD-INIZCTEOSA-N 2 1 347.459 1.663 20 0 EDADMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc2c(c1)CCO2 ZINC000178669861 442454413 /nfs/dbraw/zinc/45/44/13/442454413.db2.gz LUXPIYACFILNLK-KRWDZBQOSA-N 2 1 331.460 1.826 20 0 EDADMP CC[C@]1(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCC[NH2+]1 ZINC000134565579 442495264 /nfs/dbraw/zinc/49/52/64/442495264.db2.gz RAVYCRJONJXRLC-LJQANCHMSA-N 2 1 331.460 1.667 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000178891390 442516462 /nfs/dbraw/zinc/51/64/62/442516462.db2.gz KLAXBWYPEOKUDM-KRWDZBQOSA-N 2 1 346.475 1.393 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)C1 ZINC000172747009 442531852 /nfs/dbraw/zinc/53/18/52/442531852.db2.gz FMYAIGRXEQWZBT-GOSISDBHSA-N 2 1 346.475 1.852 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)C1 ZINC000172747009 442531855 /nfs/dbraw/zinc/53/18/55/442531855.db2.gz FMYAIGRXEQWZBT-GOSISDBHSA-N 2 1 346.475 1.852 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000157207126 442560471 /nfs/dbraw/zinc/56/04/71/442560471.db2.gz RPAQQBAIUBHRQK-IRXDYDNUSA-N 2 1 340.512 1.376 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000187401369 442674597 /nfs/dbraw/zinc/67/45/97/442674597.db2.gz MTOTVVPALVVGSM-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](CCN2CCOC[C@@H]2C)CC1 ZINC000192773764 442684925 /nfs/dbraw/zinc/68/49/25/442684925.db2.gz ULPGTBOCNKCUMJ-SFHVURJKSA-N 2 1 341.540 1.778 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000187385026 442673478 /nfs/dbraw/zinc/67/34/78/442673478.db2.gz CFHDVPSDCKGCIQ-DLBZAZTESA-N 2 1 334.464 1.045 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000187385026 442673481 /nfs/dbraw/zinc/67/34/81/442673481.db2.gz CFHDVPSDCKGCIQ-DLBZAZTESA-N 2 1 334.464 1.045 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000187385026 442673483 /nfs/dbraw/zinc/67/34/83/442673483.db2.gz CFHDVPSDCKGCIQ-DLBZAZTESA-N 2 1 334.464 1.045 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000193311576 442731836 /nfs/dbraw/zinc/73/18/36/442731836.db2.gz SQXYHKXCRIBOFZ-QGZVFWFLSA-N 2 1 332.492 1.390 20 0 EDADMP COc1ccccc1CCCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000182565234 442788284 /nfs/dbraw/zinc/78/82/84/442788284.db2.gz QPQSTIJEKXGFFK-SFHVURJKSA-N 2 1 345.487 1.866 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000188697978 442790980 /nfs/dbraw/zinc/79/09/80/442790980.db2.gz RUJGCVGUNMHDEY-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000188697978 442790983 /nfs/dbraw/zinc/79/09/83/442790983.db2.gz RUJGCVGUNMHDEY-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000188697978 442790987 /nfs/dbraw/zinc/79/09/87/442790987.db2.gz RUJGCVGUNMHDEY-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000246561956 442792914 /nfs/dbraw/zinc/79/29/14/442792914.db2.gz ZCJYHTLEJAYJNG-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CSC ZINC000246310998 442770727 /nfs/dbraw/zinc/77/07/27/442770727.db2.gz NQGHEOZQSDOABZ-HUUCEWRRSA-N 2 1 330.542 1.795 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000193757287 442780255 /nfs/dbraw/zinc/78/02/55/442780255.db2.gz FEFFSBPEUWMCBB-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000193757287 442780258 /nfs/dbraw/zinc/78/02/58/442780258.db2.gz FEFFSBPEUWMCBB-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000193757287 442780261 /nfs/dbraw/zinc/78/02/61/442780261.db2.gz FEFFSBPEUWMCBB-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000193757287 442780264 /nfs/dbraw/zinc/78/02/64/442780264.db2.gz FEFFSBPEUWMCBB-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH+]2CCOC)[C@@H](C)C1 ZINC000246419241 442781199 /nfs/dbraw/zinc/78/11/99/442781199.db2.gz LSJOJNBBBGRDHQ-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)[C@@H](C)C1 ZINC000246419241 442781201 /nfs/dbraw/zinc/78/12/01/442781201.db2.gz LSJOJNBBBGRDHQ-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000265604897 442842762 /nfs/dbraw/zinc/84/27/62/442842762.db2.gz MQJKFHSGMSCXNX-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000265604897 442842766 /nfs/dbraw/zinc/84/27/66/442842766.db2.gz MQJKFHSGMSCXNX-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000265604897 442842771 /nfs/dbraw/zinc/84/27/71/442842771.db2.gz MQJKFHSGMSCXNX-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000268142446 442867689 /nfs/dbraw/zinc/86/76/89/442867689.db2.gz RIXRNOYOCWRZOP-KXBFYZLASA-N 2 1 342.487 1.827 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000268142446 442867692 /nfs/dbraw/zinc/86/76/92/442867692.db2.gz RIXRNOYOCWRZOP-KXBFYZLASA-N 2 1 342.487 1.827 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000268142446 442867695 /nfs/dbraw/zinc/86/76/95/442867695.db2.gz RIXRNOYOCWRZOP-KXBFYZLASA-N 2 1 342.487 1.827 20 0 EDADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000189227798 442900718 /nfs/dbraw/zinc/90/07/18/442900718.db2.gz STIVLAXYDBANSG-GJZGRUSLSA-N 2 1 342.528 1.449 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)CC[N@H+]1C[C@@H](C)O ZINC000248441925 442892137 /nfs/dbraw/zinc/89/21/37/442892137.db2.gz AIDKEZHGNMYCKD-KLHDSHLOSA-N 2 1 338.496 1.098 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC[NH+]1C[C@@H](C)O ZINC000248441925 442892140 /nfs/dbraw/zinc/89/21/40/442892140.db2.gz AIDKEZHGNMYCKD-KLHDSHLOSA-N 2 1 338.496 1.098 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC[NH+]1C[C@@H](C)O ZINC000248441925 442892144 /nfs/dbraw/zinc/89/21/44/442892144.db2.gz AIDKEZHGNMYCKD-KLHDSHLOSA-N 2 1 338.496 1.098 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194434174 442896769 /nfs/dbraw/zinc/89/67/69/442896769.db2.gz URYLBHQRUOHFGC-MJGOQNOKSA-N 2 1 348.491 1.120 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000249129571 442954677 /nfs/dbraw/zinc/95/46/77/442954677.db2.gz RUJGCVGUNMHDEY-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP O=C(NCCN1CCCOCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000189443064 442954969 /nfs/dbraw/zinc/95/49/69/442954969.db2.gz WZLRWAPAVWKTOH-IBGZPJMESA-N 2 1 345.487 1.880 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@H]3CC[N@@H+](CC)C[C@@H]3C)CC2)c1=O ZINC000252528087 443041507 /nfs/dbraw/zinc/04/15/07/443041507.db2.gz FBDFCCQEZIOYSW-RDJZCZTQSA-N 2 1 347.507 1.552 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1CO ZINC000190341464 443087673 /nfs/dbraw/zinc/08/76/73/443087673.db2.gz FRRFGAYDZCXXHU-QFBILLFUSA-N 2 1 345.487 1.601 20 0 EDADMP CO[C@H](C)[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268905272 443142412 /nfs/dbraw/zinc/14/24/12/443142412.db2.gz LQAGSZIPAIWLDM-HDMKZQKVSA-N 2 1 333.476 1.897 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000268825406 443118973 /nfs/dbraw/zinc/11/89/73/443118973.db2.gz ITCMOOQMXFDPJK-HOJAQTOUSA-N 2 1 331.504 1.943 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc4nsnc43)C2)CC1 ZINC000268849859 443126340 /nfs/dbraw/zinc/12/63/40/443126340.db2.gz BMRIOMPDFKJNNZ-HNNXBMFYSA-N 2 1 331.489 1.903 20 0 EDADMP COCc1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261894958 443173911 /nfs/dbraw/zinc/17/39/11/443173911.db2.gz ASTMOBYTNWCDFR-RTBURBONSA-N 2 1 345.487 1.913 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000245397994 443223948 /nfs/dbraw/zinc/22/39/48/443223948.db2.gz RDASEIPISVYCNW-IRXDYDNUSA-N 2 1 342.528 1.763 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000245397994 443223950 /nfs/dbraw/zinc/22/39/50/443223950.db2.gz RDASEIPISVYCNW-IRXDYDNUSA-N 2 1 342.528 1.763 20 0 EDADMP C[N@H+]1CC[C@@H](c2nc(-c3cccc(N4CC[NH+](C)CC4)n3)no2)C1 ZINC000350113905 319041796 /nfs/dbraw/zinc/04/17/96/319041796.db2.gz IWVTXRWILUEJQB-CYBMUJFWSA-N 2 1 328.420 1.303 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCSC[C@H]2C2CC2)CC1 ZINC000411784942 319203889 /nfs/dbraw/zinc/20/38/89/319203889.db2.gz HYUSYRRJTPAAKA-INIZCTEOSA-N 2 1 325.522 1.803 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000413511784 319272572 /nfs/dbraw/zinc/27/25/72/319272572.db2.gz XCDONMIQIJFLQF-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000413511784 319272575 /nfs/dbraw/zinc/27/25/75/319272575.db2.gz XCDONMIQIJFLQF-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000413511784 319272576 /nfs/dbraw/zinc/27/25/76/319272576.db2.gz XCDONMIQIJFLQF-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000413820264 319291731 /nfs/dbraw/zinc/29/17/31/319291731.db2.gz STHUZFATZSRBJO-GOSISDBHSA-N 2 1 330.476 1.916 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000413820264 319291733 /nfs/dbraw/zinc/29/17/33/319291733.db2.gz STHUZFATZSRBJO-GOSISDBHSA-N 2 1 330.476 1.916 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCOC[C@@H]2Cc2ccccc2)C1 ZINC000414679207 319340890 /nfs/dbraw/zinc/34/08/90/319340890.db2.gz RHSBMTXLANEGBC-ROUUACIJSA-N 2 1 331.460 1.127 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000414691460 319343175 /nfs/dbraw/zinc/34/31/75/319343175.db2.gz BUGWHHSFRQZMIV-HZPDHXFCSA-N 2 1 330.432 1.088 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269272737 443261146 /nfs/dbraw/zinc/26/11/46/443261146.db2.gz UFIYKIPIYXGPAW-KBAYOESNSA-N 2 1 331.460 1.392 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185809137 443261699 /nfs/dbraw/zinc/26/16/99/443261699.db2.gz QGJHUSFFLKYKJQ-HOTGVXAUSA-N 2 1 327.517 1.042 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000246117404 443269313 /nfs/dbraw/zinc/26/93/13/443269313.db2.gz IEEWUZKTHBMGRY-IRXDYDNUSA-N 2 1 340.512 1.328 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000246117404 443269316 /nfs/dbraw/zinc/26/93/16/443269316.db2.gz IEEWUZKTHBMGRY-IRXDYDNUSA-N 2 1 340.512 1.328 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccco1 ZINC000416812648 319462804 /nfs/dbraw/zinc/46/28/04/319462804.db2.gz LUSWPEVJGBGXJO-OWCLPIDISA-N 2 1 334.464 1.913 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000416944023 319481564 /nfs/dbraw/zinc/48/15/64/319481564.db2.gz CTIIRDCPGQJUAR-UAGQMJEPSA-N 2 1 340.512 1.502 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[NH+]1CCOCC1 ZINC000416945384 319482260 /nfs/dbraw/zinc/48/22/60/319482260.db2.gz WFCRGUMVJBYMPK-XHSDSOJGSA-N 2 1 326.485 1.112 20 0 EDADMP CCCN(C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000416947383 319482617 /nfs/dbraw/zinc/48/26/17/319482617.db2.gz XZVKBWBYUHYRRY-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000416950755 319483655 /nfs/dbraw/zinc/48/36/55/319483655.db2.gz IAFUJADKCNQRAG-KBMXLJTQSA-N 2 1 326.485 1.112 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21)Cc1ccccc1 ZINC000272455582 443324404 /nfs/dbraw/zinc/32/44/04/443324404.db2.gz NGPJUQNYLRWKJA-ZWKOTPCHSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)Cc1ccccc1 ZINC000272455582 443324408 /nfs/dbraw/zinc/32/44/08/443324408.db2.gz NGPJUQNYLRWKJA-ZWKOTPCHSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)Cc1ccccc1 ZINC000272455582 443324414 /nfs/dbraw/zinc/32/44/14/443324414.db2.gz NGPJUQNYLRWKJA-ZWKOTPCHSA-N 2 1 330.476 1.854 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418509134 319502952 /nfs/dbraw/zinc/50/29/52/319502952.db2.gz FVNRTVPWQVBOHV-GXTWGEPZSA-N 2 1 344.381 1.412 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCN(Cc1ccccc1)S(C)(=O)=O ZINC000420369943 319612239 /nfs/dbraw/zinc/61/22/39/319612239.db2.gz VJPXDCHQPWYMFY-INIZCTEOSA-N 2 1 339.505 1.426 20 0 EDADMP C[C@@H](C(=O)N1CCC([NH+](C)CCCO)CC1)[N@@H+](C)Cc1ccccc1 ZINC000270359022 443467811 /nfs/dbraw/zinc/46/78/11/443467811.db2.gz IKMOUTZQRPEVEC-KRWDZBQOSA-N 2 1 347.503 1.812 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+](C)Cc1ccccc1 ZINC000270359022 443467812 /nfs/dbraw/zinc/46/78/12/443467812.db2.gz IKMOUTZQRPEVEC-KRWDZBQOSA-N 2 1 347.503 1.812 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+](C)Cc1ccccc1 ZINC000270359022 443467817 /nfs/dbraw/zinc/46/78/17/443467817.db2.gz IKMOUTZQRPEVEC-KRWDZBQOSA-N 2 1 347.503 1.812 20 0 EDADMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc(N2CCOCC2)c1 ZINC000423140481 319752420 /nfs/dbraw/zinc/75/24/20/319752420.db2.gz YPPCPSFJUBNDAY-ZCNNSNEGSA-N 2 1 345.487 1.770 20 0 EDADMP O=C(NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279928035 443644024 /nfs/dbraw/zinc/64/40/24/443644024.db2.gz QRZOAGMJILVMID-MOPGFXCFSA-N 2 1 343.471 1.149 20 0 EDADMP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000279928035 443644026 /nfs/dbraw/zinc/64/40/26/443644026.db2.gz QRZOAGMJILVMID-MOPGFXCFSA-N 2 1 343.471 1.149 20 0 EDADMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000279928035 443644028 /nfs/dbraw/zinc/64/40/28/443644028.db2.gz QRZOAGMJILVMID-MOPGFXCFSA-N 2 1 343.471 1.149 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000438078362 320032969 /nfs/dbraw/zinc/03/29/69/320032969.db2.gz NGPYCTAUAHAHBM-HNNXBMFYSA-N 2 1 334.464 1.637 20 0 EDADMP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441400354 320094292 /nfs/dbraw/zinc/09/42/92/320094292.db2.gz DNURLRIQIBBXHM-GOEBONIOSA-N 2 1 329.510 1.217 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@H]1C ZINC000459273668 320345539 /nfs/dbraw/zinc/34/55/39/320345539.db2.gz YMBLUVJMWRTYPE-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@H]1C ZINC000459273668 320345540 /nfs/dbraw/zinc/34/55/40/320345540.db2.gz YMBLUVJMWRTYPE-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC000459273668 320345541 /nfs/dbraw/zinc/34/55/41/320345541.db2.gz YMBLUVJMWRTYPE-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC000459273668 320345542 /nfs/dbraw/zinc/34/55/42/320345542.db2.gz YMBLUVJMWRTYPE-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000276424532 443702562 /nfs/dbraw/zinc/70/25/62/443702562.db2.gz LMROFNYUPKKRCQ-AEFFLSMTSA-N 2 1 347.507 1.885 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)cs1 ZINC000517572816 320450789 /nfs/dbraw/zinc/45/07/89/320450789.db2.gz RJLHUBRPQZUWOF-ZFWWWQNUSA-N 2 1 336.505 1.907 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)nc(C)[nH+]1 ZINC000280956936 443782960 /nfs/dbraw/zinc/78/29/60/443782960.db2.gz YIRIGDLYICSKRW-DNVCBOLYSA-N 2 1 343.475 1.568 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccc(F)cn2)cc[nH+]1 ZINC000529552266 320583665 /nfs/dbraw/zinc/58/36/65/320583665.db2.gz MHMFFNTZLFMEGT-ZFWWWQNUSA-N 2 1 348.401 1.783 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000288240254 443816549 /nfs/dbraw/zinc/81/65/49/443816549.db2.gz QGYJEETVFXHCPG-KRWDZBQOSA-N 2 1 348.491 1.254 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H](C)CO)CC2)cc1 ZINC000284980556 443807290 /nfs/dbraw/zinc/80/72/90/443807290.db2.gz XZINULYUJCQGAM-QGZVFWFLSA-N 2 1 333.476 1.342 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H](C)CO)CC2)cc1 ZINC000284980556 443807294 /nfs/dbraw/zinc/80/72/94/443807294.db2.gz XZINULYUJCQGAM-QGZVFWFLSA-N 2 1 333.476 1.342 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)CO)CC2)cc1 ZINC000284980556 443807298 /nfs/dbraw/zinc/80/72/98/443807298.db2.gz XZINULYUJCQGAM-QGZVFWFLSA-N 2 1 333.476 1.342 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)CO)CC2)cc1 ZINC000284980556 443807304 /nfs/dbraw/zinc/80/73/04/443807304.db2.gz XZINULYUJCQGAM-QGZVFWFLSA-N 2 1 333.476 1.342 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)C2(CO)CC2)CC1 ZINC000285345909 443950454 /nfs/dbraw/zinc/95/04/54/443950454.db2.gz ALXONBIAAQMRPB-UHFFFAOYSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)C2(CO)CC2)CC1 ZINC000285345909 443950459 /nfs/dbraw/zinc/95/04/59/443950459.db2.gz ALXONBIAAQMRPB-UHFFFAOYSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)C2(CO)CC2)CC1 ZINC000285345909 443950465 /nfs/dbraw/zinc/95/04/65/443950465.db2.gz ALXONBIAAQMRPB-UHFFFAOYSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)C2(CO)CC2)CC1 ZINC000285345909 443950466 /nfs/dbraw/zinc/95/04/66/443950466.db2.gz ALXONBIAAQMRPB-UHFFFAOYSA-N 2 1 345.487 1.486 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000298937304 443907644 /nfs/dbraw/zinc/90/76/44/443907644.db2.gz PBNHLDSXMKCBOG-GOSISDBHSA-N 2 1 348.491 1.181 20 0 EDADMP CC[N@H+](CCOC)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000299138135 443965550 /nfs/dbraw/zinc/96/55/50/443965550.db2.gz RAWMBRKYYYUDAP-UHFFFAOYSA-N 2 1 347.503 1.998 20 0 EDADMP CC[N@@H+](CCOC)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000299138135 443965555 /nfs/dbraw/zinc/96/55/55/443965555.db2.gz RAWMBRKYYYUDAP-UHFFFAOYSA-N 2 1 347.503 1.998 20 0 EDADMP CC[NH+](CCOC)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000299138135 443965559 /nfs/dbraw/zinc/96/55/59/443965559.db2.gz RAWMBRKYYYUDAP-UHFFFAOYSA-N 2 1 347.503 1.998 20 0 EDADMP CC[NH+](CCOC)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000299138135 443965564 /nfs/dbraw/zinc/96/55/64/443965564.db2.gz RAWMBRKYYYUDAP-UHFFFAOYSA-N 2 1 347.503 1.998 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000293313781 443980502 /nfs/dbraw/zinc/98/05/02/443980502.db2.gz HHHMJVPLQKSTJX-HNNXBMFYSA-N 2 1 343.431 1.524 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000299240189 443992619 /nfs/dbraw/zinc/99/26/19/443992619.db2.gz JGUOZOPSYCUZBV-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP CC(=O)C1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000293470067 444027040 /nfs/dbraw/zinc/02/70/40/444027040.db2.gz QZIDOTFMISGBIQ-UHFFFAOYSA-N 2 1 330.432 1.079 20 0 EDADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)[C@@H](C)CO ZINC000293480908 444029582 /nfs/dbraw/zinc/02/95/82/444029582.db2.gz RVJYPCZJTZDTTD-SFHVURJKSA-N 2 1 347.503 1.732 20 0 EDADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[C@@H](C)CO ZINC000293480908 444029585 /nfs/dbraw/zinc/02/95/85/444029585.db2.gz RVJYPCZJTZDTTD-SFHVURJKSA-N 2 1 347.503 1.732 20 0 EDADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@@H](C)CO ZINC000293480908 444029588 /nfs/dbraw/zinc/02/95/88/444029588.db2.gz RVJYPCZJTZDTTD-SFHVURJKSA-N 2 1 347.503 1.732 20 0 EDADMP C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000285665561 444065300 /nfs/dbraw/zinc/06/53/00/444065300.db2.gz HXGXMOVZGHTINW-GOSISDBHSA-N 2 1 347.459 1.106 20 0 EDADMP C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000285665561 444065301 /nfs/dbraw/zinc/06/53/01/444065301.db2.gz HXGXMOVZGHTINW-GOSISDBHSA-N 2 1 347.459 1.106 20 0 EDADMP O=C(NCC[C@@H]1CCC[NH2+]C1)NCC[N@H+]1CCc2ccccc2C1 ZINC000561128158 321033989 /nfs/dbraw/zinc/03/39/89/321033989.db2.gz LTWRRBNYJHWSPQ-INIZCTEOSA-N 2 1 330.476 1.734 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000561186322 321035557 /nfs/dbraw/zinc/03/55/57/321035557.db2.gz QTDNXRKIHQLYKP-NVXWUHKLSA-N 2 1 330.476 1.948 20 0 EDADMP Cc1nccn1C[C@H](C)CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000562661080 321066892 /nfs/dbraw/zinc/06/68/92/321066892.db2.gz CABDYKFWUZFFEM-HUUCEWRRSA-N 2 1 333.480 1.953 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000562661080 321066894 /nfs/dbraw/zinc/06/68/94/321066894.db2.gz CABDYKFWUZFFEM-HUUCEWRRSA-N 2 1 333.480 1.953 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC(C)(C)CN2CCOCC2)C1 ZINC000562726982 321073116 /nfs/dbraw/zinc/07/31/16/321073116.db2.gz RSZKROUOTWKXHA-INIZCTEOSA-N 2 1 340.512 1.517 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1)C2 ZINC000563138874 321098273 /nfs/dbraw/zinc/09/82/73/321098273.db2.gz VVYTVJFSENZHRN-CVEARBPZSA-N 2 1 345.443 1.071 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000565046753 321166804 /nfs/dbraw/zinc/16/68/04/321166804.db2.gz SFIMFNUIOLIFPP-HZPDHXFCSA-N 3 1 334.508 1.051 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)C[N@H+]1C1CC1 ZINC000565940818 321207563 /nfs/dbraw/zinc/20/75/63/321207563.db2.gz YUDHYPLMAIWYGG-QIIPPGSGSA-N 2 1 328.460 1.798 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000567724639 321254184 /nfs/dbraw/zinc/25/41/84/321254184.db2.gz RPRCAAOSTAEJOQ-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CN1c1ccccc1 ZINC000568499389 321294135 /nfs/dbraw/zinc/29/41/35/321294135.db2.gz PYUJWRUAUFYHFA-DZOHQFGASA-N 2 1 329.444 1.539 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000568765545 321305456 /nfs/dbraw/zinc/30/54/56/321305456.db2.gz KFHLZGITPKBZMH-INIZCTEOSA-N 2 1 336.867 1.282 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000568765545 321305458 /nfs/dbraw/zinc/30/54/58/321305458.db2.gz KFHLZGITPKBZMH-INIZCTEOSA-N 2 1 336.867 1.282 20 0 EDADMP C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+]1CC(C)C1 ZINC000571102681 321371556 /nfs/dbraw/zinc/37/15/56/321371556.db2.gz SMZLIJSTKAXABR-QFBILLFUSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC(C)C1 ZINC000571102681 321371557 /nfs/dbraw/zinc/37/15/57/321371557.db2.gz SMZLIJSTKAXABR-QFBILLFUSA-N 2 1 331.460 1.080 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000289449562 444147329 /nfs/dbraw/zinc/14/73/29/444147329.db2.gz DTDLGPLSVPBUOB-INIZCTEOSA-N 2 1 328.460 1.962 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000285987597 444170251 /nfs/dbraw/zinc/17/02/51/444170251.db2.gz NIEGDASLJOQRJQ-HOCLYGCPSA-N 2 1 349.479 1.029 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000285987597 444170254 /nfs/dbraw/zinc/17/02/54/444170254.db2.gz NIEGDASLJOQRJQ-HOCLYGCPSA-N 2 1 349.479 1.029 20 0 EDADMP C[C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000289827764 444208629 /nfs/dbraw/zinc/20/86/29/444208629.db2.gz JPAOUIYKFHGEKW-AEFFLSMTSA-N 2 1 330.476 1.013 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000574787030 321501754 /nfs/dbraw/zinc/50/17/54/321501754.db2.gz LBWJDQZBSXFZKZ-GJZGRUSLSA-N 2 1 336.505 1.745 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000289885322 444215359 /nfs/dbraw/zinc/21/53/59/444215359.db2.gz STXSXSMQTWNUEP-RTBURBONSA-N 2 1 342.487 1.116 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@@H]3CCC[NH2+]3)CC2)oc1C ZINC000576253886 321551155 /nfs/dbraw/zinc/55/11/55/321551155.db2.gz KOTRFKCFQOWVNN-INIZCTEOSA-N 2 1 349.479 1.555 20 0 EDADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000290153160 444248899 /nfs/dbraw/zinc/24/88/99/444248899.db2.gz NKNXZZBNPVQIOZ-RBUKOAKNSA-N 2 1 344.503 1.438 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)nc(C)[nH+]1 ZINC000289966376 444225337 /nfs/dbraw/zinc/22/53/37/444225337.db2.gz PZCZVSWYKIJPHE-CZUORRHYSA-N 2 1 331.464 1.567 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN2CCC[C@@H]2C[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000303981627 444238785 /nfs/dbraw/zinc/23/87/85/444238785.db2.gz FXPJCZGJECONSH-MKXGPGLRSA-N 2 1 339.524 1.407 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000303998940 444239572 /nfs/dbraw/zinc/23/95/72/444239572.db2.gz HVLOGTKLINPFPB-FGTMMUONSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000303998940 444239574 /nfs/dbraw/zinc/23/95/74/444239574.db2.gz HVLOGTKLINPFPB-FGTMMUONSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000303998940 444239577 /nfs/dbraw/zinc/23/95/77/444239577.db2.gz HVLOGTKLINPFPB-FGTMMUONSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000303998940 444239578 /nfs/dbraw/zinc/23/95/78/444239578.db2.gz HVLOGTKLINPFPB-FGTMMUONSA-N 2 1 337.508 1.556 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)C1 ZINC000304128465 444242594 /nfs/dbraw/zinc/24/25/94/444242594.db2.gz AKWIWWXRYXHBPG-QZTJIDSGSA-N 2 1 333.476 1.138 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)C1 ZINC000304128465 444242597 /nfs/dbraw/zinc/24/25/97/444242597.db2.gz AKWIWWXRYXHBPG-QZTJIDSGSA-N 2 1 333.476 1.138 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000290115648 444244166 /nfs/dbraw/zinc/24/41/66/444244166.db2.gz YEYBVRVCKPVWKW-INIZCTEOSA-N 2 1 328.460 1.819 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000290115648 444244169 /nfs/dbraw/zinc/24/41/69/444244169.db2.gz YEYBVRVCKPVWKW-INIZCTEOSA-N 2 1 328.460 1.819 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000290115648 444244171 /nfs/dbraw/zinc/24/41/71/444244171.db2.gz YEYBVRVCKPVWKW-INIZCTEOSA-N 2 1 328.460 1.819 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000304257057 444244459 /nfs/dbraw/zinc/24/44/59/444244459.db2.gz DODZTGJKRCRQCX-VQTJNVASSA-N 2 1 331.504 1.897 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000577354084 321644303 /nfs/dbraw/zinc/64/43/03/321644303.db2.gz CNARDIWUHFBRAH-YHUYYLMFSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CC[NH+](Cc2ccccc2)C1 ZINC000323493848 444343508 /nfs/dbraw/zinc/34/35/08/444343508.db2.gz SUQIFTZJCUSPLK-FXAWDEMLSA-N 2 1 331.504 1.895 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000323493848 444343509 /nfs/dbraw/zinc/34/35/09/444343509.db2.gz SUQIFTZJCUSPLK-FXAWDEMLSA-N 2 1 331.504 1.895 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000323493848 444343511 /nfs/dbraw/zinc/34/35/11/444343511.db2.gz SUQIFTZJCUSPLK-FXAWDEMLSA-N 2 1 331.504 1.895 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000339971125 444346625 /nfs/dbraw/zinc/34/66/25/444346625.db2.gz HXJMVHINUDNXNO-OAGGEKHMSA-N 2 1 327.538 1.908 20 0 EDADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000324949923 444360692 /nfs/dbraw/zinc/36/06/92/444360692.db2.gz GOMQLDFMCRQPDW-HOTGVXAUSA-N 2 1 340.512 1.104 20 0 EDADMP C[C@H](CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[N@@H+](C)C1CC1 ZINC000580171966 322018111 /nfs/dbraw/zinc/01/81/11/322018111.db2.gz HQTRMUSRFYVTRW-IGMKFADOSA-N 2 1 334.508 1.922 20 0 EDADMP COc1ccccc1N1CC[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000580947533 322115806 /nfs/dbraw/zinc/11/58/06/322115806.db2.gz VXTCPCNINCLTPO-DOTOQJQBSA-N 2 1 333.476 1.566 20 0 EDADMP COc1ccccc1N1CC[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000580947533 322115809 /nfs/dbraw/zinc/11/58/09/322115809.db2.gz VXTCPCNINCLTPO-DOTOQJQBSA-N 2 1 333.476 1.566 20 0 EDADMP O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000581058324 322129958 /nfs/dbraw/zinc/12/99/58/322129958.db2.gz SGFAWRGFHLBMHT-OALUTQOASA-N 2 1 343.471 1.537 20 0 EDADMP O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000581058324 322129961 /nfs/dbraw/zinc/12/99/61/322129961.db2.gz SGFAWRGFHLBMHT-OALUTQOASA-N 2 1 343.471 1.537 20 0 EDADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)Cn1cccn1 ZINC000581246089 322154126 /nfs/dbraw/zinc/15/41/26/322154126.db2.gz HVNQRNPYOSBKBF-RTBURBONSA-N 2 1 328.460 1.398 20 0 EDADMP C[C@@H](O)[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000581998126 322242631 /nfs/dbraw/zinc/24/26/31/322242631.db2.gz WHHQXWSBAMWLCK-HUUCEWRRSA-N 2 1 335.448 1.206 20 0 EDADMP C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000340912239 444571295 /nfs/dbraw/zinc/57/12/95/444571295.db2.gz FRLQZGOFTHJOFW-CRAIPNDOSA-N 2 1 331.460 1.354 20 0 EDADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000332847503 444572392 /nfs/dbraw/zinc/57/23/92/444572392.db2.gz IIXHOKHZVSKEKK-LXTVHRRPSA-N 2 1 333.480 1.933 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000332847503 444572396 /nfs/dbraw/zinc/57/23/96/444572396.db2.gz IIXHOKHZVSKEKK-LXTVHRRPSA-N 2 1 333.480 1.933 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000340942087 444587425 /nfs/dbraw/zinc/58/74/25/444587425.db2.gz RDQRERVPBRPQMX-MRXNPFEDSA-N 2 1 341.521 1.042 20 0 EDADMP CCOc1ccc2c(c1)CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000338272542 444602713 /nfs/dbraw/zinc/60/27/13/444602713.db2.gz ATWCLCDFYIKNHO-UHFFFAOYSA-N 2 1 331.460 1.608 20 0 EDADMP CCOc1ccc2c(c1)CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000338272542 444602717 /nfs/dbraw/zinc/60/27/17/444602717.db2.gz ATWCLCDFYIKNHO-UHFFFAOYSA-N 2 1 331.460 1.608 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@H]2C(C)C)C1 ZINC000343937816 444681378 /nfs/dbraw/zinc/68/13/78/444681378.db2.gz QGMGUMMLFPFHJM-ROUUACIJSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC[C@H]2C(C)C)C1 ZINC000343937816 444681382 /nfs/dbraw/zinc/68/13/82/444681382.db2.gz QGMGUMMLFPFHJM-ROUUACIJSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC[C@H]2C(C)C)C1 ZINC000343937816 444681385 /nfs/dbraw/zinc/68/13/85/444681385.db2.gz QGMGUMMLFPFHJM-ROUUACIJSA-N 2 1 339.524 1.970 20 0 EDADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCN4CCOCC4)C[C@H]3C2)cc1 ZINC000336701117 444794059 /nfs/dbraw/zinc/79/40/59/444794059.db2.gz JUZJEHWWXMPVNL-WOJBJXKFSA-N 2 1 329.488 1.773 20 0 EDADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCN4CCOCC4)C[C@H]3C2)cc1 ZINC000336701117 444794061 /nfs/dbraw/zinc/79/40/61/444794061.db2.gz JUZJEHWWXMPVNL-WOJBJXKFSA-N 2 1 329.488 1.773 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCN4CCOCC4)C[C@H]3C2)cc1 ZINC000336701117 444794064 /nfs/dbraw/zinc/79/40/64/444794064.db2.gz JUZJEHWWXMPVNL-WOJBJXKFSA-N 2 1 329.488 1.773 20 0 EDADMP CN(C)c1nccc(N2C[C@H](F)C[C@H]2C[NH2+]C2CC[NH+](C)CC2)n1 ZINC000341393050 444809395 /nfs/dbraw/zinc/80/93/95/444809395.db2.gz YULCFMBVQWIVRY-HIFRSBDPSA-N 2 1 336.459 1.143 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000342693085 444817336 /nfs/dbraw/zinc/81/73/36/444817336.db2.gz LSFDFRWTNLDTGV-MLGOLLRUSA-N 2 1 344.415 1.638 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCc2ccccc2O)CC1 ZINC000344167980 444818259 /nfs/dbraw/zinc/81/82/59/444818259.db2.gz UYNXMPXTHYZECC-UHFFFAOYSA-N 2 1 333.476 1.856 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccccc2O)CC1 ZINC000344167980 444818263 /nfs/dbraw/zinc/81/82/63/444818263.db2.gz UYNXMPXTHYZECC-UHFFFAOYSA-N 2 1 333.476 1.856 20 0 EDADMP COCCN1CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000344116895 444790072 /nfs/dbraw/zinc/79/00/72/444790072.db2.gz OFXXBWRVHAELKE-QGZVFWFLSA-N 2 1 325.497 1.332 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000338731571 444827099 /nfs/dbraw/zinc/82/70/99/444827099.db2.gz QZYLVBDEPNNXGM-UHFFFAOYSA-N 2 1 337.468 1.334 20 0 EDADMP CC[C@]1(C)CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000344217189 444844983 /nfs/dbraw/zinc/84/49/83/444844983.db2.gz MTQAOIVSMOMUAU-SJLPKXTDSA-N 2 1 325.497 1.581 20 0 EDADMP CC[C@]1(C)CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000344217189 444844987 /nfs/dbraw/zinc/84/49/87/444844987.db2.gz MTQAOIVSMOMUAU-SJLPKXTDSA-N 2 1 325.497 1.581 20 0 EDADMP CC[C@]1(C)CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000344217189 444844989 /nfs/dbraw/zinc/84/49/89/444844989.db2.gz MTQAOIVSMOMUAU-SJLPKXTDSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)[C@@H](C(=O)NCCNc1cc[nH+]cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342772463 444860469 /nfs/dbraw/zinc/86/04/69/444860469.db2.gz AAFIKPRJXODTDF-UXLLHSPISA-N 2 1 334.464 1.165 20 0 EDADMP CC(C)[C@@H](C(=O)NCCNc1cc[nH+]cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342772463 444860474 /nfs/dbraw/zinc/86/04/74/444860474.db2.gz AAFIKPRJXODTDF-UXLLHSPISA-N 2 1 334.464 1.165 20 0 EDADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000343098557 445064481 /nfs/dbraw/zinc/06/44/81/445064481.db2.gz PKIOURWFVTUPRM-INIZCTEOSA-N 2 1 340.512 1.167 20 0 EDADMP CC[C@H](O)C[N@H+](C)C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339111539 445037374 /nfs/dbraw/zinc/03/73/74/445037374.db2.gz YMMSZSUWGFOKNC-MJBXVCDLSA-N 2 1 325.432 1.162 20 0 EDADMP CC[C@H](O)C[N@@H+](C)C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339111539 445037377 /nfs/dbraw/zinc/03/73/77/445037377.db2.gz YMMSZSUWGFOKNC-MJBXVCDLSA-N 2 1 325.432 1.162 20 0 EDADMP CC(C)C(=O)N[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000337336391 445037659 /nfs/dbraw/zinc/03/76/59/445037659.db2.gz NDJJFRJKGCDFSF-GOSISDBHSA-N 2 1 338.540 1.639 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000339318520 445132085 /nfs/dbraw/zinc/13/20/85/445132085.db2.gz SSPIXKLIJJDNAU-BZUAXINKSA-N 2 1 328.501 1.230 20 0 EDADMP CC[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000339236511 445105265 /nfs/dbraw/zinc/10/52/65/445105265.db2.gz IMYZRFXFWMNGKY-IBGZPJMESA-N 2 1 346.519 1.651 20 0 EDADMP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC[NH+]2CCC2)c1 ZINC000337508502 445110974 /nfs/dbraw/zinc/11/09/74/445110974.db2.gz QHCDAAVSSYUVEQ-UHFFFAOYSA-N 2 1 332.448 1.289 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000343173562 445114137 /nfs/dbraw/zinc/11/41/37/445114137.db2.gz NYXYWDUCVRHCKA-HOTGVXAUSA-N 2 1 340.512 1.022 20 0 EDADMP C[C@@H](CNC(=O)C[N@@H+](C)[C@H]1CCSC1)[NH+]1CCc2ccccc2C1 ZINC000343175015 445116091 /nfs/dbraw/zinc/11/60/91/445116091.db2.gz VRCBDWVUOJZKIB-YJBOKZPZSA-N 2 1 347.528 1.987 20 0 EDADMP C[C@@H](CNC(=O)C[NH+](C)[C@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000343175015 445116094 /nfs/dbraw/zinc/11/60/94/445116094.db2.gz VRCBDWVUOJZKIB-YJBOKZPZSA-N 2 1 347.528 1.987 20 0 EDADMP C[C@@H](CNC(=O)C[NH+](C)[C@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000343175015 445116099 /nfs/dbraw/zinc/11/60/99/445116099.db2.gz VRCBDWVUOJZKIB-YJBOKZPZSA-N 2 1 347.528 1.987 20 0 EDADMP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342108058 445176037 /nfs/dbraw/zinc/17/60/37/445176037.db2.gz QLLJIVSSQVWCTN-BARDWOONSA-N 2 1 342.443 1.419 20 0 EDADMP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342108058 445176040 /nfs/dbraw/zinc/17/60/40/445176040.db2.gz QLLJIVSSQVWCTN-BARDWOONSA-N 2 1 342.443 1.419 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NC(=O)NCc3ccccc3)C[C@H]21 ZINC000342111273 445177689 /nfs/dbraw/zinc/17/76/89/445177689.db2.gz UJINBJZEHOHRDO-BZUAXINKSA-N 2 1 330.432 1.072 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NC(=O)NCc3ccccc3)C[C@H]21 ZINC000342111273 445177692 /nfs/dbraw/zinc/17/76/92/445177692.db2.gz UJINBJZEHOHRDO-BZUAXINKSA-N 2 1 330.432 1.072 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C[C@@H]21 ZINC000342113963 445178242 /nfs/dbraw/zinc/17/82/42/445178242.db2.gz WLADTQSVVNWXKC-WCXIOVBPSA-N 2 1 329.444 1.166 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C[C@@H]21 ZINC000342113963 445178245 /nfs/dbraw/zinc/17/82/45/445178245.db2.gz WLADTQSVVNWXKC-WCXIOVBPSA-N 2 1 329.444 1.166 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C1 ZINC000346697606 445223856 /nfs/dbraw/zinc/22/38/56/445223856.db2.gz FHJGOCMWCNJCAI-CGTJXYLNSA-N 2 1 337.508 1.819 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[N@H+](C)C1 ZINC000346697606 445223857 /nfs/dbraw/zinc/22/38/57/445223857.db2.gz FHJGOCMWCNJCAI-CGTJXYLNSA-N 2 1 337.508 1.819 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[N@@H+](C)C1 ZINC000346697606 445223858 /nfs/dbraw/zinc/22/38/58/445223858.db2.gz FHJGOCMWCNJCAI-CGTJXYLNSA-N 2 1 337.508 1.819 20 0 EDADMP Cn1nccc1[C@H]1OCC[C@@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000343575122 445248082 /nfs/dbraw/zinc/24/80/82/445248082.db2.gz HYIKVYWKTWSKFB-QAPCUYQASA-N 2 1 336.480 1.276 20 0 EDADMP Cn1nccc1[C@H]1OCC[C@@H]1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000343575122 445248085 /nfs/dbraw/zinc/24/80/85/445248085.db2.gz HYIKVYWKTWSKFB-QAPCUYQASA-N 2 1 336.480 1.276 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)C[C@H](C)O1 ZINC000343607022 445260861 /nfs/dbraw/zinc/26/08/61/445260861.db2.gz AZAFOKICAFTYBA-XUWVNRHRSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C[C@H](C)O1 ZINC000343607022 445260864 /nfs/dbraw/zinc/26/08/64/445260864.db2.gz AZAFOKICAFTYBA-XUWVNRHRSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@H](C)O1 ZINC000343607022 445260866 /nfs/dbraw/zinc/26/08/66/445260866.db2.gz AZAFOKICAFTYBA-XUWVNRHRSA-N 2 1 326.485 1.268 20 0 EDADMP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000348130422 445284103 /nfs/dbraw/zinc/28/41/03/445284103.db2.gz WGLFKHGBNCAERG-HYVNUMGLSA-N 2 1 336.480 1.118 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1C[C@@H](OC)C[C@@H]1C[NH+]1CCCC1 ZINC000348130058 445284559 /nfs/dbraw/zinc/28/45/59/445284559.db2.gz UEVBOWQTJZRLTC-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@H+](C)Cc2ccncc2)cc[nH+]1 ZINC000348172604 445302742 /nfs/dbraw/zinc/30/27/42/445302742.db2.gz RZXJHGAZXYZELD-HZPDHXFCSA-N 2 1 344.438 1.986 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)Cc2ccncc2)cc[nH+]1 ZINC000348172604 445302744 /nfs/dbraw/zinc/30/27/44/445302744.db2.gz RZXJHGAZXYZELD-HZPDHXFCSA-N 2 1 344.438 1.986 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000351850174 445342793 /nfs/dbraw/zinc/34/27/93/445342793.db2.gz IDRGAHVZMYUCML-LSDHHAIUSA-N 2 1 336.505 1.061 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000351850174 445342795 /nfs/dbraw/zinc/34/27/95/445342795.db2.gz IDRGAHVZMYUCML-LSDHHAIUSA-N 2 1 336.505 1.061 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351850605 445342833 /nfs/dbraw/zinc/34/28/33/445342833.db2.gz JJLKJORSSADXLI-GBJTYRQASA-N 2 1 333.432 1.000 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351850605 445342834 /nfs/dbraw/zinc/34/28/34/445342834.db2.gz JJLKJORSSADXLI-GBJTYRQASA-N 2 1 333.432 1.000 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000351857435 445344786 /nfs/dbraw/zinc/34/47/86/445344786.db2.gz BGRWLHPWVSZYBM-UKRRQHHQSA-N 2 1 335.448 1.032 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000351857435 445344789 /nfs/dbraw/zinc/34/47/89/445344789.db2.gz BGRWLHPWVSZYBM-UKRRQHHQSA-N 2 1 335.448 1.032 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351864270 445347201 /nfs/dbraw/zinc/34/72/01/445347201.db2.gz XGTOBZAXBQGHQL-CABCVRRESA-N 2 1 335.448 1.249 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351864270 445347204 /nfs/dbraw/zinc/34/72/04/445347204.db2.gz XGTOBZAXBQGHQL-CABCVRRESA-N 2 1 335.448 1.249 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)C1 ZINC000351865428 445347611 /nfs/dbraw/zinc/34/76/11/445347611.db2.gz MTMIENQERSPILB-CAOSSQGBSA-N 2 1 347.459 1.342 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)C1 ZINC000351865428 445347613 /nfs/dbraw/zinc/34/76/13/445347613.db2.gz MTMIENQERSPILB-CAOSSQGBSA-N 2 1 347.459 1.342 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000362396930 445359392 /nfs/dbraw/zinc/35/93/92/445359392.db2.gz FZIYKFUBKUZLMF-CABCVRRESA-N 2 1 336.432 1.429 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000362396930 445359395 /nfs/dbraw/zinc/35/93/95/445359395.db2.gz FZIYKFUBKUZLMF-CABCVRRESA-N 2 1 336.432 1.429 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000362396930 445359399 /nfs/dbraw/zinc/35/93/99/445359399.db2.gz FZIYKFUBKUZLMF-CABCVRRESA-N 2 1 336.432 1.429 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000362396930 445359401 /nfs/dbraw/zinc/35/94/01/445359401.db2.gz FZIYKFUBKUZLMF-CABCVRRESA-N 2 1 336.432 1.429 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000348857547 445417308 /nfs/dbraw/zinc/41/73/08/445417308.db2.gz WKNVFBNTIPLRPH-GFCCVEGCSA-N 2 1 332.452 1.494 20 0 EDADMP Cn1ccnc1CN1C[C@H](F)C[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000354870663 445430764 /nfs/dbraw/zinc/43/07/64/445430764.db2.gz KBXVYEXWJMPPNL-QBPKDAKJSA-N 2 1 335.471 1.549 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000362655836 445481313 /nfs/dbraw/zinc/48/13/13/445481313.db2.gz ASFHXBICOAMFON-BRWVUGGUSA-N 2 1 340.512 1.325 20 0 EDADMP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362548518 445433264 /nfs/dbraw/zinc/43/32/64/445433264.db2.gz UTQWKUWYUQRLQU-HOTGVXAUSA-N 2 1 330.476 1.965 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362702461 445508417 /nfs/dbraw/zinc/50/84/17/445508417.db2.gz NDGCBUXUTVIIEC-ATZDWAIDSA-N 2 1 335.467 1.817 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362702461 445508419 /nfs/dbraw/zinc/50/84/19/445508419.db2.gz NDGCBUXUTVIIEC-ATZDWAIDSA-N 2 1 335.467 1.817 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)NCc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000355928478 445534392 /nfs/dbraw/zinc/53/43/92/445534392.db2.gz XYIHXVXJVRXNLL-UHFFFAOYSA-N 2 1 338.500 1.746 20 0 EDADMP O=C(CCOC1C[NH2+]C1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000349055863 445489600 /nfs/dbraw/zinc/48/96/00/445489600.db2.gz PIFOPBZAGRUTED-AWEZNQCLSA-N 2 1 337.489 1.455 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000357222700 445491118 /nfs/dbraw/zinc/49/11/18/445491118.db2.gz IBXFSCGJDDIUGA-INIZCTEOSA-N 2 1 344.503 1.296 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000357305976 445539046 /nfs/dbraw/zinc/53/90/46/445539046.db2.gz LSADPBXJAYVZNS-MBOZVWFJSA-N 2 1 344.503 1.307 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)[NH+](C)C ZINC000349593157 445620820 /nfs/dbraw/zinc/62/08/20/445620820.db2.gz YUDVDYGRZAWQKY-KRWDZBQOSA-N 2 1 346.475 1.788 20 0 EDADMP Cc1cccc(OCCCNC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358515875 445627955 /nfs/dbraw/zinc/62/79/55/445627955.db2.gz NPVQOHPSMADJGR-UHFFFAOYSA-N 2 1 345.487 1.956 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000362871268 445590638 /nfs/dbraw/zinc/59/06/38/445590638.db2.gz MCLYEBHCTZNRSE-CGTJXYLNSA-N 2 1 335.492 1.620 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000357983804 445598043 /nfs/dbraw/zinc/59/80/43/445598043.db2.gz IYKMFMUODWPCFE-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCO1 ZINC000358544086 445644007 /nfs/dbraw/zinc/64/40/07/445644007.db2.gz VJTAWJWJKAPARL-WBVHZDCISA-N 2 1 335.423 1.224 20 0 EDADMP CCC[N@@H+](C)CC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000358579515 445660412 /nfs/dbraw/zinc/66/04/12/445660412.db2.gz BJUZKHKCYKNSLA-UHFFFAOYSA-N 2 1 346.519 1.782 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000353569575 445660759 /nfs/dbraw/zinc/66/07/59/445660759.db2.gz RJDRDUDECVPCRF-SFHVURJKSA-N 2 1 340.556 1.493 20 0 EDADMP CCOC(=O)c1coc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000353628516 445682624 /nfs/dbraw/zinc/68/26/24/445682624.db2.gz URPNJNWOGPNPRM-AWEZNQCLSA-N 2 1 338.448 1.981 20 0 EDADMP COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000353638904 445687439 /nfs/dbraw/zinc/68/74/39/445687439.db2.gz BZBYSKCKKCTPNX-GMBSWORKSA-N 2 1 336.476 1.927 20 0 EDADMP COc1ccsc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000349826633 445690788 /nfs/dbraw/zinc/69/07/88/445690788.db2.gz FALVGFNPAMWSHB-QWHCGFSZSA-N 2 1 325.478 1.995 20 0 EDADMP COc1ccsc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000349826633 445690791 /nfs/dbraw/zinc/69/07/91/445690791.db2.gz FALVGFNPAMWSHB-QWHCGFSZSA-N 2 1 325.478 1.995 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)N2CCN(CCOC(C)C)CC2)CC1 ZINC000358646069 445691970 /nfs/dbraw/zinc/69/19/70/445691970.db2.gz IGBXYIDFZKHSQN-UHFFFAOYSA-N 2 1 338.496 1.391 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358658424 445697639 /nfs/dbraw/zinc/69/76/39/445697639.db2.gz DZHIZGGHBAFLEU-IEBWSBKVSA-N 2 1 348.491 1.435 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCc3cccc(O)c3)C2)CC1 ZINC000363180398 445709563 /nfs/dbraw/zinc/70/95/63/445709563.db2.gz CQNOAZTUQCWBNR-MRXNPFEDSA-N 2 1 346.475 1.402 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCc3cccc(O)c3)C2)CC1 ZINC000363180398 445709564 /nfs/dbraw/zinc/70/95/64/445709564.db2.gz CQNOAZTUQCWBNR-MRXNPFEDSA-N 2 1 346.475 1.402 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000358781000 445771238 /nfs/dbraw/zinc/77/12/38/445771238.db2.gz BRABFIHSJBRGBQ-IXDOHACOSA-N 2 1 339.528 1.184 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000349929660 445723540 /nfs/dbraw/zinc/72/35/40/445723540.db2.gz CKJCAXYRJSWUMJ-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000349929660 445723543 /nfs/dbraw/zinc/72/35/43/445723543.db2.gz CKJCAXYRJSWUMJ-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(CC[NH+](C)C)CC(C)C ZINC000349952770 445731825 /nfs/dbraw/zinc/73/18/25/445731825.db2.gz REXIZBHKOSOYEY-INIZCTEOSA-N 2 1 328.501 1.326 20 0 EDADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC1)CC(C)C ZINC000358750397 445756734 /nfs/dbraw/zinc/75/67/34/445756734.db2.gz KXWSLRJVMQEUOR-OAHLLOKOSA-N 2 1 340.512 1.911 20 0 EDADMP C[C@H](CNC(=O)C1([NH+]2CCN(C)CC2)CCCC1)C[NH+]1CCCC1 ZINC000363327649 445767825 /nfs/dbraw/zinc/76/78/25/445767825.db2.gz SFKSGXMTULSGEF-QGZVFWFLSA-N 2 1 336.524 1.395 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCNc2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC000358828187 445796970 /nfs/dbraw/zinc/79/69/70/445796970.db2.gz SGYWYEZTUNKGNY-WMZOPIPTSA-N 2 1 325.460 2.531 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCNc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC000358828187 445796973 /nfs/dbraw/zinc/79/69/73/445796973.db2.gz SGYWYEZTUNKGNY-WMZOPIPTSA-N 2 1 325.460 2.531 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000350288143 445807357 /nfs/dbraw/zinc/80/73/57/445807357.db2.gz REJJFOBBTOCKNX-FGTMMUONSA-N 2 1 339.524 1.924 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)CC1 ZINC000353914839 445811209 /nfs/dbraw/zinc/81/12/09/445811209.db2.gz LJMBPHLDXIAQBI-FGTMMUONSA-N 2 1 339.524 1.972 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000361684782 445876671 /nfs/dbraw/zinc/87/66/71/445876671.db2.gz AWVWCYFABKFQDB-CRAIPNDOSA-N 2 1 334.508 1.146 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000356517959 445836441 /nfs/dbraw/zinc/83/64/41/445836441.db2.gz GJPMUBQNMQTKEL-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000356517959 445836444 /nfs/dbraw/zinc/83/64/44/445836444.db2.gz GJPMUBQNMQTKEL-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000356517959 445836445 /nfs/dbraw/zinc/83/64/45/445836445.db2.gz GJPMUBQNMQTKEL-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP CN(CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC[NH+](C)C ZINC000356517959 445836450 /nfs/dbraw/zinc/83/64/50/445836450.db2.gz GJPMUBQNMQTKEL-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP CN(CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC[NH+](C)C ZINC000356517959 445836453 /nfs/dbraw/zinc/83/64/53/445836453.db2.gz GJPMUBQNMQTKEL-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000356529578 445842821 /nfs/dbraw/zinc/84/28/21/445842821.db2.gz QOOYMHTWZQNESC-INIZCTEOSA-N 2 1 340.512 1.022 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)c1ccnc(C[NH3+])c1)[NH+](C)C ZINC000361620072 445850565 /nfs/dbraw/zinc/85/05/65/445850565.db2.gz HWFKOBXAIWZSGO-MRXNPFEDSA-N 2 1 328.416 1.582 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000363657181 445864764 /nfs/dbraw/zinc/86/47/64/445864764.db2.gz WCGVIWMGLXTKPZ-SFHVURJKSA-N 2 1 336.524 1.491 20 0 EDADMP CCCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372941898 445934472 /nfs/dbraw/zinc/93/44/72/445934472.db2.gz GNHBESRCUUMTAA-OAHLLOKOSA-N 2 1 346.475 1.769 20 0 EDADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000361731117 445904008 /nfs/dbraw/zinc/90/40/08/445904008.db2.gz FKYFORHZXPTAOO-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365921982 445907531 /nfs/dbraw/zinc/90/75/31/445907531.db2.gz CUZGYARCSDGNTB-TWMKSMIVSA-N 2 1 336.480 1.118 20 0 EDADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365921982 445907536 /nfs/dbraw/zinc/90/75/36/445907536.db2.gz CUZGYARCSDGNTB-TWMKSMIVSA-N 2 1 336.480 1.118 20 0 EDADMP COc1cccc(OC)c1OC[C@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC000582355710 325827948 /nfs/dbraw/zinc/82/79/48/325827948.db2.gz XJTYTUVQBDEONZ-CQSZACIVSA-N 2 1 335.404 1.238 20 0 EDADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C(=O)N(C)Cc1cccc(F)c1 ZINC000369156525 445959634 /nfs/dbraw/zinc/95/96/34/445959634.db2.gz IASMTRPFEPHUPK-CJNGLKHVSA-N 2 1 330.407 1.974 20 0 EDADMP CCCCOC[C@H](O)C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000365119618 446038017 /nfs/dbraw/zinc/03/80/17/446038017.db2.gz IPSIBIPOAMBOLV-QZTJIDSGSA-N 2 1 327.513 1.123 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000354218854 446012887 /nfs/dbraw/zinc/01/28/87/446012887.db2.gz BMRRXAPXKXHSCI-YOEHRIQHSA-N 2 1 346.475 1.919 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000354218854 446012891 /nfs/dbraw/zinc/01/28/91/446012891.db2.gz BMRRXAPXKXHSCI-YOEHRIQHSA-N 2 1 346.475 1.919 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000354218854 446012896 /nfs/dbraw/zinc/01/28/96/446012896.db2.gz BMRRXAPXKXHSCI-YOEHRIQHSA-N 2 1 346.475 1.919 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000583510627 326087978 /nfs/dbraw/zinc/08/79/78/326087978.db2.gz XNUSWVLSYGBHCV-SOLBZPMBSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)n1 ZINC000583574328 326098826 /nfs/dbraw/zinc/09/88/26/326098826.db2.gz VQKRAMUJKGVGOV-UHFFFAOYSA-N 2 1 333.480 1.393 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cccc(OC4CCCC4)c3)CCN2C1=O ZINC000584183500 326216844 /nfs/dbraw/zinc/21/68/44/326216844.db2.gz KRUIFRIWTATBAA-CRAIPNDOSA-N 2 1 329.444 1.752 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cccc(OC4CCCC4)c3)CCN2C1=O ZINC000584183500 326216847 /nfs/dbraw/zinc/21/68/47/326216847.db2.gz KRUIFRIWTATBAA-CRAIPNDOSA-N 2 1 329.444 1.752 20 0 EDADMP CCN1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C[C@H]1c1ncc[nH]1 ZINC000354276576 446073449 /nfs/dbraw/zinc/07/34/49/446073449.db2.gz JXAJKOGQTQRBBT-BMFZPTHFSA-N 2 1 346.479 1.281 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000373266741 446132839 /nfs/dbraw/zinc/13/28/39/446132839.db2.gz YZFTWRPIWKKQSJ-NVXWUHKLSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000373266741 446132845 /nfs/dbraw/zinc/13/28/45/446132845.db2.gz YZFTWRPIWKKQSJ-NVXWUHKLSA-N 2 1 338.496 1.365 20 0 EDADMP COc1ccc(CN(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C2CC2)cc1 ZINC000351494115 446098176 /nfs/dbraw/zinc/09/81/76/446098176.db2.gz NJMWYGJVOTYEQZ-ZYSHUDEJSA-N 2 1 343.471 1.855 20 0 EDADMP COc1ccc(CN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C2CC2)cc1 ZINC000351494115 446098186 /nfs/dbraw/zinc/09/81/86/446098186.db2.gz NJMWYGJVOTYEQZ-ZYSHUDEJSA-N 2 1 343.471 1.855 20 0 EDADMP CSC1(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC[NH+](C)CC1 ZINC000359263731 446099848 /nfs/dbraw/zinc/09/98/48/446099848.db2.gz QGXYMIJNAZCPPC-CYBMUJFWSA-N 2 1 331.551 1.367 20 0 EDADMP Cc1cccc(NC[C@@H]2CCCN2C(=O)c2[nH]nc3c2C[NH2+]CC3)[nH+]1 ZINC000369890638 446165180 /nfs/dbraw/zinc/16/51/80/446165180.db2.gz AFLDFFAOKCYEHO-ZDUSSCGKSA-N 2 1 340.431 1.476 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH2+]3)[C@@H](C)C2)s1 ZINC000366319817 446147181 /nfs/dbraw/zinc/14/71/81/446147181.db2.gz CJHOBOKJIUUQII-RCBQFDQVSA-N 2 1 336.505 1.920 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000370290517 446216763 /nfs/dbraw/zinc/21/67/63/446216763.db2.gz VQBFBHFYPAVOMJ-IAGOWNOFSA-N 2 1 343.537 1.466 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000370290517 446216770 /nfs/dbraw/zinc/21/67/70/446216770.db2.gz VQBFBHFYPAVOMJ-IAGOWNOFSA-N 2 1 343.537 1.466 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CCCO1 ZINC000365493224 446230804 /nfs/dbraw/zinc/23/08/04/446230804.db2.gz AGOQSVMXIUUWPN-HZPDHXFCSA-N 2 1 349.479 1.800 20 0 EDADMP CCOC1CC(O)(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000370516945 446315222 /nfs/dbraw/zinc/31/52/22/446315222.db2.gz CWWJEXOSZMKXRA-IKKRTKPYSA-N 2 1 326.481 1.395 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000417557256 446364962 /nfs/dbraw/zinc/36/49/62/446364962.db2.gz RCZUWPURFHHLFC-WBVHZDCISA-N 2 1 328.476 1.984 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000417557256 446364967 /nfs/dbraw/zinc/36/49/67/446364967.db2.gz RCZUWPURFHHLFC-WBVHZDCISA-N 2 1 328.476 1.984 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000370670538 446380659 /nfs/dbraw/zinc/38/06/59/446380659.db2.gz DLYNXHLHPIJEAI-IZBJGVDFSA-N 2 1 348.487 1.905 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)CC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417902410 446381257 /nfs/dbraw/zinc/38/12/57/446381257.db2.gz XOJCKDBQTMBQRW-RYQLBKOJSA-N 2 1 348.491 1.703 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)CC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417902410 446381264 /nfs/dbraw/zinc/38/12/64/446381264.db2.gz XOJCKDBQTMBQRW-RYQLBKOJSA-N 2 1 348.491 1.703 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)NCC2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000417914743 446384916 /nfs/dbraw/zinc/38/49/16/446384916.db2.gz AXFVAORMPZOQQV-WBVHZDCISA-N 2 1 330.476 1.806 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000365887013 446387717 /nfs/dbraw/zinc/38/77/17/446387717.db2.gz SNPYXASVVMWVKN-RHSMWYFYSA-N 2 1 329.460 1.162 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365892787 446390892 /nfs/dbraw/zinc/39/08/92/446390892.db2.gz FFCKWBKCVBJBCO-SFHVURJKSA-N 3 1 336.524 1.345 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365892787 446390896 /nfs/dbraw/zinc/39/08/96/446390896.db2.gz FFCKWBKCVBJBCO-SFHVURJKSA-N 3 1 336.524 1.345 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[NH2+]1 ZINC000417988743 446409429 /nfs/dbraw/zinc/40/94/29/446409429.db2.gz IRSCHTNFBCFCJH-ZTFGCOKTSA-N 2 1 346.475 1.193 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000417994664 446409909 /nfs/dbraw/zinc/40/99/09/446409909.db2.gz OZNFNTLSZFMYRQ-MSOLQXFVSA-N 2 1 348.491 1.570 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418012123 446415811 /nfs/dbraw/zinc/41/58/11/446415811.db2.gz RTZJKABALPEISW-JQHSSLGASA-N 2 1 330.476 1.887 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2c(C)cc(C)nc2C)C1 ZINC000411265265 446453957 /nfs/dbraw/zinc/45/39/57/446453957.db2.gz IRGJMMFQEFXBJD-OAHLLOKOSA-N 2 1 332.448 1.746 20 0 EDADMP CC[C@@]1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000370843968 446477171 /nfs/dbraw/zinc/47/71/71/446477171.db2.gz AOVYEJCXDVYXPO-LJQANCHMSA-N 2 1 348.466 1.454 20 0 EDADMP CCOC(=O)c1ccccc1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420324567 446491293 /nfs/dbraw/zinc/49/12/93/446491293.db2.gz AVGYPXRJHFYICC-UHFFFAOYSA-N 2 1 345.443 1.877 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCOc1cccc(F)c1 ZINC000420326232 446493371 /nfs/dbraw/zinc/49/33/71/446493371.db2.gz JPWDWMALGYOOEP-CVEARBPZSA-N 2 1 349.450 1.642 20 0 EDADMP CC[C@@H]1CN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC[N@H+]1C[C@@H](C)O ZINC000420325919 446493795 /nfs/dbraw/zinc/49/37/95/446493795.db2.gz WWJUOBGZSWSYRD-BPQIPLTHSA-N 2 1 335.492 1.515 20 0 EDADMP Cn1c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc2ccccc2c1=O ZINC000420333108 446502706 /nfs/dbraw/zinc/50/27/06/446502706.db2.gz SLAUWRGQKPOKGS-CABCVRRESA-N 2 1 326.444 1.755 20 0 EDADMP CN(Cc1cccs1)C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334423 446504651 /nfs/dbraw/zinc/50/46/51/446504651.db2.gz UKTFJDYBIJASDK-AWEZNQCLSA-N 2 1 337.489 1.394 20 0 EDADMP CN(Cc1cccs1)C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334423 446504658 /nfs/dbraw/zinc/50/46/58/446504658.db2.gz UKTFJDYBIJASDK-AWEZNQCLSA-N 2 1 337.489 1.394 20 0 EDADMP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329372 446497040 /nfs/dbraw/zinc/49/70/40/446497040.db2.gz GMRTUKMJNPDRQR-QRQLOZEOSA-N 2 1 329.488 1.974 20 0 EDADMP Cc1cccc(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420328467 446498046 /nfs/dbraw/zinc/49/80/46/446498046.db2.gz MOEHOTHALJRGDC-KRWDZBQOSA-N 2 1 331.460 1.299 20 0 EDADMP Cc1cccc(CNC(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420328467 446498053 /nfs/dbraw/zinc/49/80/53/446498053.db2.gz MOEHOTHALJRGDC-KRWDZBQOSA-N 2 1 331.460 1.299 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343754 446515984 /nfs/dbraw/zinc/51/59/84/446515984.db2.gz RNGKVTDKOSIXKD-ZJPYXAASSA-N 2 1 337.508 1.629 20 0 EDADMP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420383023 446559441 /nfs/dbraw/zinc/55/94/41/446559441.db2.gz QHXJKMCQAGTCRF-MRXNPFEDSA-N 2 1 343.431 1.655 20 0 EDADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423521070 446561217 /nfs/dbraw/zinc/56/12/17/446561217.db2.gz QPLZNMYSIJKVIF-SUMWQHHRSA-N 2 1 332.448 2.000 20 0 EDADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000423405965 446519784 /nfs/dbraw/zinc/51/97/84/446519784.db2.gz ZTPWRWKUMJTYLV-JONQDZQNSA-N 3 1 348.457 1.723 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000418388122 446524248 /nfs/dbraw/zinc/52/42/48/446524248.db2.gz POLKZWWFTQVAKB-IAGOWNOFSA-N 2 1 333.480 1.528 20 0 EDADMP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349519 446524473 /nfs/dbraw/zinc/52/44/73/446524473.db2.gz PIXSAAHHCNJFTL-LMMKCTJWSA-N 2 1 344.503 1.274 20 0 EDADMP O=C1[C@@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCCN1c1ccccc1 ZINC000420350091 446527479 /nfs/dbraw/zinc/52/74/79/446527479.db2.gz RIGWKGNSDRMLGV-ROUUACIJSA-N 2 1 328.460 1.162 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCC([NH3+])CC1 ZINC000418402705 446530758 /nfs/dbraw/zinc/53/07/58/446530758.db2.gz OJZLUUNZVRMQLL-JCYILVPMSA-N 3 1 339.528 1.314 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)CC3(C[NH3+])CC3)CC2)C[C@H](C)O1 ZINC000423427311 446533203 /nfs/dbraw/zinc/53/32/03/446533203.db2.gz IPFHBZMVASJTGK-IYBDPMFKSA-N 2 1 337.508 1.853 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418469352 446555290 /nfs/dbraw/zinc/55/52/90/446555290.db2.gz PHSDLOQERTYRTP-PKOBYXMFSA-N 2 1 346.475 1.002 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000418472818 446556446 /nfs/dbraw/zinc/55/64/46/446556446.db2.gz XBSXTMVNJREZCZ-YOEHRIQHSA-N 2 1 334.464 1.352 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423506438 446557739 /nfs/dbraw/zinc/55/77/39/446557739.db2.gz IZDUYJSTRMMTDQ-FGTMMUONSA-N 2 1 333.476 1.862 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000411579484 446615121 /nfs/dbraw/zinc/61/51/21/446615121.db2.gz UTIBWWPJNHVDSL-JKSUJKDBSA-N 2 1 325.522 1.804 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000423634109 446617354 /nfs/dbraw/zinc/61/73/54/446617354.db2.gz MKZHXYQZBIRMFM-MOPGFXCFSA-N 2 1 344.503 1.403 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)CC2)c1 ZINC000420397810 446571361 /nfs/dbraw/zinc/57/13/61/446571361.db2.gz GHMBVIBBCRIEMK-ZWKOTPCHSA-N 2 1 344.503 1.560 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)CC2)c1 ZINC000420397810 446571364 /nfs/dbraw/zinc/57/13/64/446571364.db2.gz GHMBVIBBCRIEMK-ZWKOTPCHSA-N 2 1 344.503 1.560 20 0 EDADMP [NH3+]C1(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CCC1 ZINC000418507247 446571858 /nfs/dbraw/zinc/57/18/58/446571858.db2.gz IMUCIWJHNOIOBS-SJORKVTESA-N 2 1 346.475 1.050 20 0 EDADMP O=C1N[C@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420397213 446572231 /nfs/dbraw/zinc/57/22/31/446572231.db2.gz FGVJIHWHCQJNMA-ROUUACIJSA-N 2 1 328.460 1.449 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc(C[NH+](C)C)nc3)CC2)CCO1 ZINC000375092037 446574092 /nfs/dbraw/zinc/57/40/92/446574092.db2.gz XWMTZWXSDMVXMZ-OAHLLOKOSA-N 2 1 346.475 1.469 20 0 EDADMP CCOc1ccccc1[C@@H](CC)NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420401067 446575157 /nfs/dbraw/zinc/57/51/57/446575157.db2.gz GENAAWKYYDOYOD-MRXNPFEDSA-N 2 1 349.475 1.438 20 0 EDADMP COCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420404550 446578405 /nfs/dbraw/zinc/57/84/05/446578405.db2.gz MCHODADTZUISDQ-RDJZCZTQSA-N 2 1 349.475 1.245 20 0 EDADMP COCCOc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420404550 446578410 /nfs/dbraw/zinc/57/84/10/446578410.db2.gz MCHODADTZUISDQ-RDJZCZTQSA-N 2 1 349.475 1.245 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418522544 446579952 /nfs/dbraw/zinc/57/99/52/446579952.db2.gz JKVXJEQWKRFRPJ-BPQIPLTHSA-N 2 1 330.476 1.887 20 0 EDADMP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000418530599 446583751 /nfs/dbraw/zinc/58/37/51/446583751.db2.gz VBNFIKOVHGXELL-QGPMSJSTSA-N 2 1 347.507 1.979 20 0 EDADMP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000418530599 446583754 /nfs/dbraw/zinc/58/37/54/446583754.db2.gz VBNFIKOVHGXELL-QGPMSJSTSA-N 2 1 347.507 1.979 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000418550203 446589953 /nfs/dbraw/zinc/58/99/53/446589953.db2.gz LFWMAUOYCADKJI-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418567931 446598420 /nfs/dbraw/zinc/59/84/20/446598420.db2.gz XCZITNIHAZOOFH-QAPCUYQASA-N 2 1 334.464 1.002 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCNCC3(F)F)CC[C@H]21 ZINC000418748335 446668797 /nfs/dbraw/zinc/66/87/97/446668797.db2.gz BDOUGFVAEDZQMX-HZSPNIEDSA-N 2 1 330.423 1.357 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)CC1 ZINC000368069028 446625252 /nfs/dbraw/zinc/62/52/52/446625252.db2.gz DDVNTTISEKXMIC-SJLPKXTDSA-N 2 1 337.508 1.865 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)CC1 ZINC000368069028 446625260 /nfs/dbraw/zinc/62/52/60/446625260.db2.gz DDVNTTISEKXMIC-SJLPKXTDSA-N 2 1 337.508 1.865 20 0 EDADMP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418647362 446632145 /nfs/dbraw/zinc/63/21/45/446632145.db2.gz XWAAKNSPPAZOIH-AEFFLSMTSA-N 2 1 346.475 1.019 20 0 EDADMP COCC1(CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC[NH2+]CC1 ZINC000418650645 446632788 /nfs/dbraw/zinc/63/27/88/446632788.db2.gz WPLUOEUIHSIBBL-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000434270912 446633828 /nfs/dbraw/zinc/63/38/28/446633828.db2.gz TVZIGFQSRJUBRF-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000434270912 446633836 /nfs/dbraw/zinc/63/38/36/446633836.db2.gz TVZIGFQSRJUBRF-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000434270912 446633847 /nfs/dbraw/zinc/63/38/47/446633847.db2.gz TVZIGFQSRJUBRF-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000434270912 446633853 /nfs/dbraw/zinc/63/38/53/446633853.db2.gz TVZIGFQSRJUBRF-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)[C@H]1c1ccc(Cl)cc1 ZINC000423822487 446712189 /nfs/dbraw/zinc/71/21/89/446712189.db2.gz ISAFXMCQZHNDQB-YQQAZPJKSA-N 2 1 337.851 1.580 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)[C@H]1c1ccc(Cl)cc1 ZINC000423822487 446712192 /nfs/dbraw/zinc/71/21/92/446712192.db2.gz ISAFXMCQZHNDQB-YQQAZPJKSA-N 2 1 337.851 1.580 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@H](C)C3C[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000423832215 446721627 /nfs/dbraw/zinc/72/16/27/446721627.db2.gz RQNVEGOGHNOUEN-UPRAQXHNSA-N 2 1 343.471 1.945 20 0 EDADMP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000376817323 446736096 /nfs/dbraw/zinc/73/60/96/446736096.db2.gz AWNXKNJLRHDEAN-IXDOHACOSA-N 2 1 349.500 1.666 20 0 EDADMP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000376817323 446736100 /nfs/dbraw/zinc/73/61/00/446736100.db2.gz AWNXKNJLRHDEAN-IXDOHACOSA-N 2 1 349.500 1.666 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000423900138 446751662 /nfs/dbraw/zinc/75/16/62/446751662.db2.gz RKFWQRVLPZNCMK-HRCADAONSA-N 2 1 339.480 1.108 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000423900138 446751666 /nfs/dbraw/zinc/75/16/66/446751666.db2.gz RKFWQRVLPZNCMK-HRCADAONSA-N 2 1 339.480 1.108 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)C[C@@H](C)O1 ZINC000368369510 446815949 /nfs/dbraw/zinc/81/59/49/446815949.db2.gz JDSVDARMBIZUKN-POOHYDRCSA-N 2 1 329.444 1.243 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368384606 446827732 /nfs/dbraw/zinc/82/77/32/446827732.db2.gz WUXWXVGTFYGQLA-RDJZCZTQSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368384606 446827737 /nfs/dbraw/zinc/82/77/37/446827737.db2.gz WUXWXVGTFYGQLA-RDJZCZTQSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000420798609 446830465 /nfs/dbraw/zinc/83/04/65/446830465.db2.gz HXEBOGPNQNNYRD-QQFBHYJXSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[C@@H](O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000368392192 446833911 /nfs/dbraw/zinc/83/39/11/446833911.db2.gz HHQPXGDNAXKDNZ-KKUMJFAQSA-N 2 1 339.459 1.408 20 0 EDADMP CC(C)[C@@H](O)C[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000368392192 446833914 /nfs/dbraw/zinc/83/39/14/446833914.db2.gz HHQPXGDNAXKDNZ-KKUMJFAQSA-N 2 1 339.459 1.408 20 0 EDADMP C[C@@H]1[C@H](CO)CCC[NH+]1CCOCC[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412077326 446837816 /nfs/dbraw/zinc/83/78/16/446837816.db2.gz JWKFBUHKHXFKHU-BDXSIMOUSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N(C)C[C@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000420768779 446807641 /nfs/dbraw/zinc/80/76/41/446807641.db2.gz WONHWSPNGGUOOW-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000420768779 446807647 /nfs/dbraw/zinc/80/76/47/446807647.db2.gz WONHWSPNGGUOOW-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000420768779 446807650 /nfs/dbraw/zinc/80/76/50/446807650.db2.gz WONHWSPNGGUOOW-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000419015895 446867707 /nfs/dbraw/zinc/86/77/07/446867707.db2.gz FKVWKCSFVZIITL-QGZVFWFLSA-N 2 1 346.475 1.013 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000424453505 446874828 /nfs/dbraw/zinc/87/48/28/446874828.db2.gz KHFVBJLXDQWURA-OAHLLOKOSA-N 2 1 346.475 1.629 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[NH+](C)C ZINC000424453824 446875438 /nfs/dbraw/zinc/87/54/38/446875438.db2.gz MEPRJHIFNXAWGT-BZUAXINKSA-N 2 1 334.464 1.867 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420905017 446881346 /nfs/dbraw/zinc/88/13/46/446881346.db2.gz QKRXQYOPYWCTRA-GOSISDBHSA-N 2 1 331.460 1.571 20 0 EDADMP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCC1 ZINC000368467257 446881450 /nfs/dbraw/zinc/88/14/50/446881450.db2.gz VXRVBQXRLRIEJT-YESZJQIVSA-N 2 1 337.508 1.772 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000454480005 446885926 /nfs/dbraw/zinc/88/59/26/446885926.db2.gz GKZJDFWDTHZUQZ-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CN(C)CCN1C ZINC000454480005 446885928 /nfs/dbraw/zinc/88/59/28/446885928.db2.gz GKZJDFWDTHZUQZ-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP Cc1[nH+]c(CNc2cc(N3CCOCC3)ncn2)c2n1CCCC2 ZINC000377058551 446892363 /nfs/dbraw/zinc/89/23/63/446892363.db2.gz XAXPTFNSTMEAHF-UHFFFAOYSA-N 2 1 328.420 1.767 20 0 EDADMP CCc1nc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc(C)[nH+]1 ZINC000368544836 446934359 /nfs/dbraw/zinc/93/43/59/446934359.db2.gz KYFYZRMPNWJSFO-IAGOWNOFSA-N 2 1 326.444 2.395 20 0 EDADMP CCc1nc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc(C)[nH+]1 ZINC000368544836 446934364 /nfs/dbraw/zinc/93/43/64/446934364.db2.gz KYFYZRMPNWJSFO-IAGOWNOFSA-N 2 1 326.444 2.395 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)NCc2c[nH+]c3n2CCCC3)ccn1 ZINC000377139053 446945206 /nfs/dbraw/zinc/94/52/06/446945206.db2.gz HCVGUZAPIHKHBV-UHFFFAOYSA-N 2 1 343.431 1.485 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000442763293 446956062 /nfs/dbraw/zinc/95/60/62/446956062.db2.gz IODTVMTZVBLSCA-KEYYUXOJSA-N 2 1 335.423 1.395 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000442763293 446956065 /nfs/dbraw/zinc/95/60/65/446956065.db2.gz IODTVMTZVBLSCA-KEYYUXOJSA-N 2 1 335.423 1.395 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000371765470 446960501 /nfs/dbraw/zinc/96/05/01/446960501.db2.gz LGGDWJKUJIBBLM-BBWFWOEESA-N 2 1 338.496 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371765470 446960507 /nfs/dbraw/zinc/96/05/07/446960507.db2.gz LGGDWJKUJIBBLM-BBWFWOEESA-N 2 1 338.496 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371765470 446960514 /nfs/dbraw/zinc/96/05/14/446960514.db2.gz LGGDWJKUJIBBLM-BBWFWOEESA-N 2 1 338.496 1.080 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442775805 446962689 /nfs/dbraw/zinc/96/26/89/446962689.db2.gz BGTJKOMZKCTGRV-XYPWUTKMSA-N 2 1 330.432 1.329 20 0 EDADMP CO[C@H](CC(C)C)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000419215593 447013991 /nfs/dbraw/zinc/01/39/91/447013991.db2.gz AFAZMDREOJCMHM-GOSISDBHSA-N 2 1 339.524 1.924 20 0 EDADMP Cc1cc(NC(=O)C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000372017959 446981975 /nfs/dbraw/zinc/98/19/75/446981975.db2.gz ACOAYUFKRHRLRE-MRXNPFEDSA-N 2 1 334.464 2.508 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443059056 447000522 /nfs/dbraw/zinc/00/05/22/447000522.db2.gz LTWMHHRMGUOWLS-QGZVFWFLSA-N 2 1 333.476 1.900 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC000372344593 447042498 /nfs/dbraw/zinc/04/24/98/447042498.db2.gz CTBCWEFWIDICBQ-DLBZAZTESA-N 2 1 347.507 1.704 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000372344593 447042499 /nfs/dbraw/zinc/04/24/99/447042499.db2.gz CTBCWEFWIDICBQ-DLBZAZTESA-N 2 1 347.507 1.704 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000372344593 447042504 /nfs/dbraw/zinc/04/25/04/447042504.db2.gz CTBCWEFWIDICBQ-DLBZAZTESA-N 2 1 347.507 1.704 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000368694553 447044061 /nfs/dbraw/zinc/04/40/61/447044061.db2.gz MCSJLHSLTUOITB-IEBWSBKVSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000368694553 447044069 /nfs/dbraw/zinc/04/40/69/447044069.db2.gz MCSJLHSLTUOITB-IEBWSBKVSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000368694553 447044071 /nfs/dbraw/zinc/04/40/71/447044071.db2.gz MCSJLHSLTUOITB-IEBWSBKVSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000368694553 447044077 /nfs/dbraw/zinc/04/40/77/447044077.db2.gz MCSJLHSLTUOITB-IEBWSBKVSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000443792132 447063295 /nfs/dbraw/zinc/06/32/95/447063295.db2.gz SORVNOSCDRNHPP-INMHGKMJSA-N 2 1 333.480 1.210 20 0 EDADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000443792132 447063300 /nfs/dbraw/zinc/06/33/00/447063300.db2.gz SORVNOSCDRNHPP-INMHGKMJSA-N 2 1 333.480 1.210 20 0 EDADMP O=C(NCc1c[nH+]c2n1CCCC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000377321506 447064447 /nfs/dbraw/zinc/06/44/47/447064447.db2.gz LKWIXKNNAWRBMZ-HNNXBMFYSA-N 2 1 331.464 1.847 20 0 EDADMP CC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CC1(C)C ZINC000419322337 447086883 /nfs/dbraw/zinc/08/68/83/447086883.db2.gz SFEHTCSYIVWLTG-ZACQAIPSSA-N 2 1 339.524 1.874 20 0 EDADMP CCNc1nc(NC(C)(C)C)nc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)n1 ZINC000425286069 447096870 /nfs/dbraw/zinc/09/68/70/447096870.db2.gz PTHCOBPTAQAITJ-QWHCGFSZSA-N 2 1 333.484 1.466 20 0 EDADMP CCNc1nc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)nc(NC(C)(C)C)[nH+]1 ZINC000425286069 447096881 /nfs/dbraw/zinc/09/68/81/447096881.db2.gz PTHCOBPTAQAITJ-QWHCGFSZSA-N 2 1 333.484 1.466 20 0 EDADMP CCNc1nc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)nc(NC(C)(C)C)[nH+]1 ZINC000425286069 447096888 /nfs/dbraw/zinc/09/68/88/447096888.db2.gz PTHCOBPTAQAITJ-QWHCGFSZSA-N 2 1 333.484 1.466 20 0 EDADMP c1cc(N[C@@H]2CCCOC2)nc(N2CCC([NH2+]C3CCCC3)CC2)[nH+]1 ZINC000372590122 447167232 /nfs/dbraw/zinc/16/72/32/447167232.db2.gz CEIGBPOWDJWDCL-QGZVFWFLSA-N 2 1 345.491 2.569 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000419410116 447158924 /nfs/dbraw/zinc/15/89/24/447158924.db2.gz OFJMSZWUWPXTFW-GJZGRUSLSA-N 2 1 338.496 1.014 20 0 EDADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375901111 447133186 /nfs/dbraw/zinc/13/31/86/447133186.db2.gz AWFUAHDWMNCUIO-SJLPKXTDSA-N 2 1 338.540 1.780 20 0 EDADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375901111 447133189 /nfs/dbraw/zinc/13/31/89/447133189.db2.gz AWFUAHDWMNCUIO-SJLPKXTDSA-N 2 1 338.540 1.780 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000419439876 447177340 /nfs/dbraw/zinc/17/73/40/447177340.db2.gz QQYVTIMLUIUQGJ-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccnn2CC[NH+](C)C)C[C@H]1C ZINC000455656708 447198815 /nfs/dbraw/zinc/19/88/15/447198815.db2.gz KXVAZTAFJIBOCO-HUUCEWRRSA-N 2 1 336.484 1.781 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000413819632 447257418 /nfs/dbraw/zinc/25/74/18/447257418.db2.gz RBUYYQPAAVUSCU-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000413819632 447257427 /nfs/dbraw/zinc/25/74/27/447257427.db2.gz RBUYYQPAAVUSCU-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000413819632 447257432 /nfs/dbraw/zinc/25/74/32/447257432.db2.gz RBUYYQPAAVUSCU-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP CC(=O)[C@](C)(O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000450470357 447499255 /nfs/dbraw/zinc/49/92/55/447499255.db2.gz ACBOAAPJOHMEBM-LJQANCHMSA-N 2 1 339.524 1.455 20 0 EDADMP CC(=O)[C@](C)(O)C[N@H+](C)CCC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000450470357 447499261 /nfs/dbraw/zinc/49/92/61/447499261.db2.gz ACBOAAPJOHMEBM-LJQANCHMSA-N 2 1 339.524 1.455 20 0 EDADMP CC(=O)[C@](C)(O)C[N@@H+](C)CCC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000450470357 447499265 /nfs/dbraw/zinc/49/92/65/447499265.db2.gz ACBOAAPJOHMEBM-LJQANCHMSA-N 2 1 339.524 1.455 20 0 EDADMP O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390848254 447502756 /nfs/dbraw/zinc/50/27/56/447502756.db2.gz CEWSIMGWWXZSHN-MSOLQXFVSA-N 2 1 331.460 1.393 20 0 EDADMP CC(C)OC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000391054234 447509296 /nfs/dbraw/zinc/50/92/96/447509296.db2.gz IFVBSDRNSVLRMK-OALUTQOASA-N 2 1 336.476 1.653 20 0 EDADMP CC(C)OC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000391054234 447509302 /nfs/dbraw/zinc/50/93/02/447509302.db2.gz IFVBSDRNSVLRMK-OALUTQOASA-N 2 1 336.476 1.653 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000457115484 447522813 /nfs/dbraw/zinc/52/28/13/447522813.db2.gz IHIJAMXOWKBPSZ-KRWDZBQOSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000457115484 447522818 /nfs/dbraw/zinc/52/28/18/447522818.db2.gz IHIJAMXOWKBPSZ-KRWDZBQOSA-N 2 1 345.487 1.424 20 0 EDADMP CC1CC[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000457527399 447588862 /nfs/dbraw/zinc/58/88/62/447588862.db2.gz FZMWGISTZBEESQ-KRWDZBQOSA-N 2 1 340.512 1.254 20 0 EDADMP COC(=O)[C@@H]([N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)C1(OC)CCC1 ZINC000459338260 447638295 /nfs/dbraw/zinc/63/82/95/447638295.db2.gz RPOQNIVNIGTETK-GOEBONIOSA-N 2 1 342.480 1.122 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000416824879 447692667 /nfs/dbraw/zinc/69/26/67/447692667.db2.gz AJGDQMNWPKIFMX-DZKIICNBSA-N 2 1 334.464 1.677 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCc1cc(C)nc(C)c1 ZINC000422585421 447654955 /nfs/dbraw/zinc/65/49/55/447654955.db2.gz CNPPGKQQBKSLIE-SJORKVTESA-N 2 1 344.459 1.400 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)CC[NH3+])[C@@H](C)C1 ZINC000422590617 447659630 /nfs/dbraw/zinc/65/96/30/447659630.db2.gz ASVRTEXOYSKXCD-LSDHHAIUSA-N 2 1 328.501 1.550 20 0 EDADMP COc1cc2[nH+]c(N3CCC4(C3)CC[NH2+]CC4)nc(N)c2cc1OC ZINC000420223734 447678261 /nfs/dbraw/zinc/67/82/61/447678261.db2.gz BZOKSIVAKFGQQP-UHFFFAOYSA-N 2 1 343.431 1.809 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+]1CCC(C)CC1 ZINC000458053529 447710567 /nfs/dbraw/zinc/71/05/67/447710567.db2.gz SKWPIPIURSKFCZ-SJORKVTESA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)CC(O)CN(C)[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000452110809 447816656 /nfs/dbraw/zinc/81/66/56/447816656.db2.gz AMGZVONUFGOIIZ-QZTJIDSGSA-N 2 1 340.556 1.176 20 0 EDADMP CC(C)N1CC[C@@H]([N@H+](C)CC(O)CN(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000452110809 447816662 /nfs/dbraw/zinc/81/66/62/447816662.db2.gz AMGZVONUFGOIIZ-QZTJIDSGSA-N 2 1 340.556 1.176 20 0 EDADMP CC(C)N1CC[C@@H]([N@@H+](C)CC(O)CN(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000452110809 447816664 /nfs/dbraw/zinc/81/66/64/447816664.db2.gz AMGZVONUFGOIIZ-QZTJIDSGSA-N 2 1 340.556 1.176 20 0 EDADMP CC(C)N1CC[C@@H]([NH+](C)CC(O)CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000452110809 447816666 /nfs/dbraw/zinc/81/66/66/447816666.db2.gz AMGZVONUFGOIIZ-QZTJIDSGSA-N 2 1 340.556 1.176 20 0 EDADMP CC(C)N1CC[C@@H]([NH+](C)CC(O)CN(C)[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000452110809 447816668 /nfs/dbraw/zinc/81/66/68/447816668.db2.gz AMGZVONUFGOIIZ-QZTJIDSGSA-N 2 1 340.556 1.176 20 0 EDADMP CC[NH2+]CC1CC[NH+](CCOc2cccc(S(C)(=O)=O)c2)CC1 ZINC000430591560 447781781 /nfs/dbraw/zinc/78/17/81/447781781.db2.gz OHZUYKBSFIGBNS-UHFFFAOYSA-N 2 1 340.489 1.790 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000430593921 447782315 /nfs/dbraw/zinc/78/23/15/447782315.db2.gz UIOBHOMENZWAHP-BZSNNMDCSA-N 2 1 344.503 1.783 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000430593921 447782318 /nfs/dbraw/zinc/78/23/18/447782318.db2.gz UIOBHOMENZWAHP-BZSNNMDCSA-N 2 1 344.503 1.783 20 0 EDADMP CN(C[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000496619957 447834530 /nfs/dbraw/zinc/83/45/30/447834530.db2.gz AFZDTEWTKOCJJD-LSDHHAIUSA-N 2 1 329.485 1.630 20 0 EDADMP CN(C[C@@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000496619957 447834532 /nfs/dbraw/zinc/83/45/32/447834532.db2.gz AFZDTEWTKOCJJD-LSDHHAIUSA-N 2 1 329.485 1.630 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000479646824 447823678 /nfs/dbraw/zinc/82/36/78/447823678.db2.gz KZVDBYHJRSRASP-SJORKVTESA-N 2 1 340.512 1.207 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000479646824 447823681 /nfs/dbraw/zinc/82/36/81/447823681.db2.gz KZVDBYHJRSRASP-SJORKVTESA-N 2 1 340.512 1.207 20 0 EDADMP CCOc1ccc(CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1F ZINC000487328617 447829467 /nfs/dbraw/zinc/82/94/67/447829467.db2.gz VYHPBSCZYXROQT-HNNXBMFYSA-N 2 1 337.439 1.901 20 0 EDADMP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1F ZINC000487328617 447829468 /nfs/dbraw/zinc/82/94/68/447829468.db2.gz VYHPBSCZYXROQT-HNNXBMFYSA-N 2 1 337.439 1.901 20 0 EDADMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1F ZINC000487328617 447829469 /nfs/dbraw/zinc/82/94/69/447829469.db2.gz VYHPBSCZYXROQT-HNNXBMFYSA-N 2 1 337.439 1.901 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000569755444 447883912 /nfs/dbraw/zinc/88/39/12/447883912.db2.gz FPIKLRUKXAALRH-ZACQAIPSSA-N 2 1 343.512 1.157 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@H](c3cccnc3)C1)C[NH+]1CCC2CC1 ZINC000496756405 447885707 /nfs/dbraw/zinc/88/57/07/447885707.db2.gz SUIPZEYMUQLISX-QFBILLFUSA-N 2 1 342.443 1.745 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CC[C@H](c3cccnc3)C1)C[NH+]1CCC2CC1 ZINC000496756405 447885710 /nfs/dbraw/zinc/88/57/10/447885710.db2.gz SUIPZEYMUQLISX-QFBILLFUSA-N 2 1 342.443 1.745 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H]1CC[NH+](C)C1 ZINC000523649099 447895791 /nfs/dbraw/zinc/89/57/91/447895791.db2.gz OPSCXDGAOBAKRS-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[NH+]1CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000523649099 447895797 /nfs/dbraw/zinc/89/57/97/447895797.db2.gz OPSCXDGAOBAKRS-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[NH+]1CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000523649099 447895800 /nfs/dbraw/zinc/89/58/00/447895800.db2.gz OPSCXDGAOBAKRS-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1)c1ccccc1 ZINC000523665618 447897268 /nfs/dbraw/zinc/89/72/68/447897268.db2.gz MDLWEXJINKIBOO-AEFFLSMTSA-N 2 1 345.487 1.954 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CC[C@@H](C3CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000497157678 447903687 /nfs/dbraw/zinc/90/36/87/447903687.db2.gz CZUJYLFTPUHBJR-VQIMIIECSA-N 2 1 349.475 1.609 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000530575408 447916972 /nfs/dbraw/zinc/91/69/72/447916972.db2.gz OLFPOQSONNXJMR-FQEVSTJZSA-N 2 1 345.487 1.566 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530575408 447916976 /nfs/dbraw/zinc/91/69/76/447916976.db2.gz OLFPOQSONNXJMR-FQEVSTJZSA-N 2 1 345.487 1.566 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC000524588921 447935440 /nfs/dbraw/zinc/93/54/40/447935440.db2.gz YPLGXCBQLRJJEJ-KRWDZBQOSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000524588921 447935445 /nfs/dbraw/zinc/93/54/45/447935445.db2.gz YPLGXCBQLRJJEJ-KRWDZBQOSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000524588921 447935448 /nfs/dbraw/zinc/93/54/48/447935448.db2.gz YPLGXCBQLRJJEJ-KRWDZBQOSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000530888864 447978829 /nfs/dbraw/zinc/97/88/29/447978829.db2.gz AMWIREKACMKPKV-HNNXBMFYSA-N 2 1 333.480 1.090 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000530888864 447978835 /nfs/dbraw/zinc/97/88/35/447978835.db2.gz AMWIREKACMKPKV-HNNXBMFYSA-N 2 1 333.480 1.090 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3nc(C)no3)CC2)CC1 ZINC000553428911 447993301 /nfs/dbraw/zinc/99/33/01/447993301.db2.gz HGIWSJGBLRBOLA-UHFFFAOYSA-N 2 1 335.452 1.191 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000525332431 447996223 /nfs/dbraw/zinc/99/62/23/447996223.db2.gz MJQGRLHTRXLQOL-IBGZPJMESA-N 2 1 331.460 1.178 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525332431 447996225 /nfs/dbraw/zinc/99/62/25/447996225.db2.gz MJQGRLHTRXLQOL-IBGZPJMESA-N 2 1 331.460 1.178 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000525332431 447996227 /nfs/dbraw/zinc/99/62/27/447996227.db2.gz MJQGRLHTRXLQOL-IBGZPJMESA-N 2 1 331.460 1.178 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[NH+]1CC(C)C1 ZINC000553555835 447996236 /nfs/dbraw/zinc/99/62/36/447996236.db2.gz CLZSUSMTABMBRY-PKOBYXMFSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[NH+]1CC(C)C1 ZINC000553555835 447996238 /nfs/dbraw/zinc/99/62/38/447996238.db2.gz CLZSUSMTABMBRY-PKOBYXMFSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000525804201 448028126 /nfs/dbraw/zinc/02/81/26/448028126.db2.gz MDVFYFAXNQVATK-SJLPKXTDSA-N 2 1 330.476 1.752 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000525804201 448028130 /nfs/dbraw/zinc/02/81/30/448028130.db2.gz MDVFYFAXNQVATK-SJLPKXTDSA-N 2 1 330.476 1.752 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000525804201 448028134 /nfs/dbraw/zinc/02/81/34/448028134.db2.gz MDVFYFAXNQVATK-SJLPKXTDSA-N 2 1 330.476 1.752 20 0 EDADMP CC(C)C[C@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000531294585 448056258 /nfs/dbraw/zinc/05/62/58/448056258.db2.gz OWZLYRHRHMQGAL-UYAOXDASSA-N 2 1 347.503 1.716 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)/C=C\C[NH+](C)C)cc2)CC1 ZINC000491647443 448070819 /nfs/dbraw/zinc/07/08/19/448070819.db2.gz WMYNXLMAGUTIIF-WAYWQWQTSA-N 2 1 344.503 1.558 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[N@@H+](C)C1 ZINC000501742043 448095737 /nfs/dbraw/zinc/09/57/37/448095737.db2.gz AAMWXXATCONZFM-UGUYLWEFSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC1=CC[NH2+]CC1 ZINC000571149344 448111042 /nfs/dbraw/zinc/11/10/42/448111042.db2.gz WCALBRNEGMACPX-MAUKXSAKSA-N 2 1 328.460 1.726 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000571184151 448120541 /nfs/dbraw/zinc/12/05/41/448120541.db2.gz UMXMYGYVYUJJEE-NXHRZFHOSA-N 2 1 330.476 1.887 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H](C)C1 ZINC000571311732 448134448 /nfs/dbraw/zinc/13/44/48/448134448.db2.gz ZNVNDYNRBRVPTB-KGLIPLIRSA-N 2 1 340.512 1.392 20 0 EDADMP COCC[N@H+](C)C[C@@H](O)CN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000576777865 448136579 /nfs/dbraw/zinc/13/65/79/448136579.db2.gz GYBVVZSDOCVAGD-GOSISDBHSA-N 2 1 349.475 1.276 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000556705690 448138420 /nfs/dbraw/zinc/13/84/20/448138420.db2.gz KSYHVAHIBRLFDN-UHFFFAOYSA-N 2 1 336.524 1.395 20 0 EDADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000514626963 448175564 /nfs/dbraw/zinc/17/55/64/448175564.db2.gz NSDBPSXBHJGBCY-CQSZACIVSA-N 2 1 332.448 1.857 20 0 EDADMP Cc1nc2ccc(C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)cc2n1C ZINC000527283438 448201520 /nfs/dbraw/zinc/20/15/20/448201520.db2.gz BIQRNQYZFVOGBL-MRXNPFEDSA-N 2 1 344.459 1.968 20 0 EDADMP Cc1nc2ccc(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)cc2n1C ZINC000527283438 448201522 /nfs/dbraw/zinc/20/15/22/448201522.db2.gz BIQRNQYZFVOGBL-MRXNPFEDSA-N 2 1 344.459 1.968 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000514780085 448202127 /nfs/dbraw/zinc/20/21/27/448202127.db2.gz VGBFAOXKXLJAEH-GOSISDBHSA-N 2 1 344.503 1.821 20 0 EDADMP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000571895385 448230285 /nfs/dbraw/zinc/23/02/85/448230285.db2.gz DXJZDBDZEYRWQS-QZTJIDSGSA-N 2 1 330.476 1.684 20 0 EDADMP CCC[NH+]1CCC([NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000532220182 448217595 /nfs/dbraw/zinc/21/75/95/448217595.db2.gz OINWTMGMPFPZNX-LJQANCHMSA-N 2 1 344.459 1.705 20 0 EDADMP CCOC(=O)CN(C(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000515067272 448255685 /nfs/dbraw/zinc/25/56/85/448255685.db2.gz ALHLRXHCKMIAOW-UHFFFAOYSA-N 2 1 347.459 1.644 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000515149363 448266291 /nfs/dbraw/zinc/26/62/91/448266291.db2.gz INADBJJXEKAXBB-INIZCTEOSA-N 2 1 348.495 1.215 20 0 EDADMP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000515405915 448308239 /nfs/dbraw/zinc/30/82/39/448308239.db2.gz NKVXDRLWEHPFHK-BZSNNMDCSA-N 2 1 328.460 1.799 20 0 EDADMP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000577372911 448278911 /nfs/dbraw/zinc/27/89/11/448278911.db2.gz YYYBSHPTNCAFDT-SJLPKXTDSA-N 2 1 348.466 1.058 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000515234464 448279413 /nfs/dbraw/zinc/27/94/13/448279413.db2.gz KSEREHZUGBTYCA-SJORKVTESA-N 2 1 325.497 1.460 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000515234464 448279419 /nfs/dbraw/zinc/27/94/19/448279419.db2.gz KSEREHZUGBTYCA-SJORKVTESA-N 2 1 325.497 1.460 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000577392035 448285572 /nfs/dbraw/zinc/28/55/72/448285572.db2.gz IBXXIUSTMOJFLB-SJLPKXTDSA-N 2 1 346.475 1.365 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000572118517 448292048 /nfs/dbraw/zinc/29/20/48/448292048.db2.gz RDXXAVBYKILKGA-DOTOQJQBSA-N 2 1 341.496 1.008 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000515754308 448347323 /nfs/dbraw/zinc/34/73/23/448347323.db2.gz MCVPALFAFLDLMU-LJQANCHMSA-N 2 1 335.492 1.052 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C)C[NH+]1CCOCC1 ZINC000582895024 448370753 /nfs/dbraw/zinc/37/07/53/448370753.db2.gz YSDIKAHGZJXXBJ-LSDHHAIUSA-N 2 1 326.485 1.032 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000583023582 448406021 /nfs/dbraw/zinc/40/60/21/448406021.db2.gz YLTJLWWQAWJUBA-UIJGJVKASA-N 2 1 337.512 1.065 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000572596064 448416179 /nfs/dbraw/zinc/41/61/79/448416179.db2.gz FNQATNRBFSRNSN-CRAIPNDOSA-N 2 1 334.460 1.813 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516488881 448427817 /nfs/dbraw/zinc/42/78/17/448427817.db2.gz OHRXLQQMXGBCQB-MOPGFXCFSA-N 2 1 345.487 1.424 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516488881 448427818 /nfs/dbraw/zinc/42/78/18/448427818.db2.gz OHRXLQQMXGBCQB-MOPGFXCFSA-N 2 1 345.487 1.424 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCN(C4CCCCC4)C3=O)C2)CC1 ZINC000528374919 448504330 /nfs/dbraw/zinc/50/43/30/448504330.db2.gz ABVXWSKFCVDROK-OALUTQOASA-N 2 1 348.535 1.632 20 0 EDADMP CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC000573234069 448576401 /nfs/dbraw/zinc/57/64/01/448576401.db2.gz GUKRLBCWCIEDGN-JKSUJKDBSA-N 2 1 334.464 1.718 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC000573234069 448576407 /nfs/dbraw/zinc/57/64/07/448576407.db2.gz GUKRLBCWCIEDGN-JKSUJKDBSA-N 2 1 334.464 1.718 20 0 EDADMP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)C2=O)n1 ZINC000517153933 448545387 /nfs/dbraw/zinc/54/53/87/448545387.db2.gz LAGIBDZUFJLJOG-XHSDSOJGSA-N 2 1 331.464 1.237 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000584726112 448611692 /nfs/dbraw/zinc/61/16/92/448611692.db2.gz WPSNMUDZGFATTN-LRDDRELGSA-N 2 1 340.855 1.356 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000517473831 448584288 /nfs/dbraw/zinc/58/42/88/448584288.db2.gz VIYBJCXLWUXKHE-MRXNPFEDSA-N 2 1 330.476 1.686 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000517473831 448584294 /nfs/dbraw/zinc/58/42/94/448584294.db2.gz VIYBJCXLWUXKHE-MRXNPFEDSA-N 2 1 330.476 1.686 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000517473831 448584300 /nfs/dbraw/zinc/58/43/00/448584300.db2.gz VIYBJCXLWUXKHE-MRXNPFEDSA-N 2 1 330.476 1.686 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC000528572608 448592427 /nfs/dbraw/zinc/59/24/27/448592427.db2.gz SPDLTBKJQQSLBW-UHFFFAOYSA-N 2 1 349.450 1.833 20 0 EDADMP [NH3+][C@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000578625039 448596245 /nfs/dbraw/zinc/59/62/45/448596245.db2.gz JSGXFEYBCYFLLH-CEXWTWQISA-N 2 1 342.487 1.887 20 0 EDADMP COc1ccc(COC[C@@H](O)C[NH2+][C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000573480871 448638521 /nfs/dbraw/zinc/63/85/21/448638521.db2.gz VQKQDJZSWLFAGC-QAPCUYQASA-N 2 1 334.460 1.813 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C)n2C ZINC000540882322 448647595 /nfs/dbraw/zinc/64/75/95/448647595.db2.gz AECIFUBVJJGTQE-OLZOCXBDSA-N 2 1 342.447 1.343 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C)n2C ZINC000540882322 448647600 /nfs/dbraw/zinc/64/76/00/448647600.db2.gz AECIFUBVJJGTQE-OLZOCXBDSA-N 2 1 342.447 1.343 20 0 EDADMP C[NH+](C)CC1(CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CCCC1 ZINC000573548294 448654955 /nfs/dbraw/zinc/65/49/55/448654955.db2.gz UHYHNKYJVZKEJN-QGZVFWFLSA-N 2 1 345.491 1.860 20 0 EDADMP CO[C@H](C)c1noc(CN2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)CC2)n1 ZINC000567276565 448656427 /nfs/dbraw/zinc/65/64/27/448656427.db2.gz NMPOGQQTNBTSOD-HUUCEWRRSA-N 2 1 337.468 1.284 20 0 EDADMP CCN1CCC([NH+]2CCC(C(=O)N3CCC[N@@H+](C)CC3)CC2)CC1 ZINC000578882175 448662503 /nfs/dbraw/zinc/66/25/03/448662503.db2.gz YGALJECKLBSXHA-UHFFFAOYSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@H](Cc1c[nH]cn1)C(=O)N(C)CCC[N@@H+](C)Cc1ccncc1 ZINC000578907080 448669464 /nfs/dbraw/zinc/66/94/64/448669464.db2.gz TWKNQZFLZYSRPT-OAHLLOKOSA-N 2 1 329.448 1.964 20 0 EDADMP C[C@H](Cc1cnc[nH]1)C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000578907080 448669466 /nfs/dbraw/zinc/66/94/66/448669466.db2.gz TWKNQZFLZYSRPT-OAHLLOKOSA-N 2 1 329.448 1.964 20 0 EDADMP C[C@H](Cc1cnc[nH]1)C(=O)N(C)CCC[N@@H+](C)Cc1ccncc1 ZINC000578907080 448669469 /nfs/dbraw/zinc/66/94/69/448669469.db2.gz TWKNQZFLZYSRPT-OAHLLOKOSA-N 2 1 329.448 1.964 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000579333254 448768866 /nfs/dbraw/zinc/76/88/66/448768866.db2.gz WHWPMVBHMKZJGV-HOTGVXAUSA-N 2 1 338.496 1.258 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000567678001 448733712 /nfs/dbraw/zinc/73/37/12/448733712.db2.gz GZLNMNZDVYBZKH-YJBOKZPZSA-N 2 1 334.460 1.647 20 0 EDADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000567754385 448752591 /nfs/dbraw/zinc/75/25/91/448752591.db2.gz SENWWKDQALPQKX-GJZGRUSLSA-N 2 1 325.840 1.567 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000519646024 448810661 /nfs/dbraw/zinc/81/06/61/448810661.db2.gz GMQTYNZISVAMDX-YTQUADARSA-N 2 1 345.487 1.924 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000519646024 448810663 /nfs/dbraw/zinc/81/06/63/448810663.db2.gz GMQTYNZISVAMDX-YTQUADARSA-N 2 1 345.487 1.924 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000579340419 448769799 /nfs/dbraw/zinc/76/97/99/448769799.db2.gz IZMYYRSFQBQOQK-HZPDHXFCSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000579340419 448769804 /nfs/dbraw/zinc/76/98/04/448769804.db2.gz IZMYYRSFQBQOQK-HZPDHXFCSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000579340419 448769810 /nfs/dbraw/zinc/76/98/10/448769810.db2.gz IZMYYRSFQBQOQK-HZPDHXFCSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000519428808 448770221 /nfs/dbraw/zinc/77/02/21/448770221.db2.gz PGRSWBGDGAODGB-GOSISDBHSA-N 2 1 344.503 1.657 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000519476795 448773481 /nfs/dbraw/zinc/77/34/81/448773481.db2.gz MYTJYEMLIHYRJI-HNNXBMFYSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000574142079 448798998 /nfs/dbraw/zinc/79/89/98/448798998.db2.gz YOOQJGMKOBDPNF-YLFCFFPRSA-N 2 1 338.496 1.031 20 0 EDADMP [NH3+]C1(CNC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000568125511 448821372 /nfs/dbraw/zinc/82/13/72/448821372.db2.gz GXVLOMZFODKNAL-INIZCTEOSA-N 2 1 348.516 1.785 20 0 EDADMP [NH3+]C1(CNC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CCC1 ZINC000568125511 448821375 /nfs/dbraw/zinc/82/13/75/448821375.db2.gz GXVLOMZFODKNAL-INIZCTEOSA-N 2 1 348.516 1.785 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000568191475 448832085 /nfs/dbraw/zinc/83/20/85/448832085.db2.gz JALRMPYWCIURQH-HZPDHXFCSA-N 2 1 341.521 1.041 20 0 EDADMP CC(C)(C)c1cccc(OCCC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000579615684 448838662 /nfs/dbraw/zinc/83/86/62/448838662.db2.gz POSJMVUFBJAWAB-FUHWJXTLSA-N 2 1 345.487 1.997 20 0 EDADMP CC(C)(C)c1cccc(OCCC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000579615684 448838666 /nfs/dbraw/zinc/83/86/66/448838666.db2.gz POSJMVUFBJAWAB-FUHWJXTLSA-N 2 1 345.487 1.997 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529373168 448846761 /nfs/dbraw/zinc/84/67/61/448846761.db2.gz GSZBWZLLKZHVBT-SJLPKXTDSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579838489 448891970 /nfs/dbraw/zinc/89/19/70/448891970.db2.gz YWIOHUGWKFGLRT-WFEDQXDTSA-N 2 1 329.444 1.144 20 0 EDADMP C[C@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579838489 448891973 /nfs/dbraw/zinc/89/19/73/448891973.db2.gz YWIOHUGWKFGLRT-WFEDQXDTSA-N 2 1 329.444 1.144 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCc2cncn2C1)[NH+](C)C ZINC000579838414 448892319 /nfs/dbraw/zinc/89/23/19/448892319.db2.gz UZKVKTDCASMMMC-RHSMWYFYSA-N 2 1 342.443 1.873 20 0 EDADMP CN(CCC[NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000521587435 448998405 /nfs/dbraw/zinc/99/84/05/448998405.db2.gz VBAKNJAQTINSGV-GOSISDBHSA-N 2 1 347.507 1.355 20 0 EDADMP CN(CCC[NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000521587435 448998407 /nfs/dbraw/zinc/99/84/07/448998407.db2.gz VBAKNJAQTINSGV-GOSISDBHSA-N 2 1 347.507 1.355 20 0 EDADMP CN(CCC[NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000521587435 448998411 /nfs/dbraw/zinc/99/84/11/448998411.db2.gz VBAKNJAQTINSGV-GOSISDBHSA-N 2 1 347.507 1.355 20 0 EDADMP CC(=O)N1CC[C@H](N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c2ccccc21 ZINC000574998701 449011140 /nfs/dbraw/zinc/01/11/40/449011140.db2.gz NQJNYAIPAIZNAT-YTQUADARSA-N 2 1 329.444 1.841 20 0 EDADMP CC(C)[NH2+]CCC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000582178924 449030725 /nfs/dbraw/zinc/03/07/25/449030725.db2.gz ZRUQPVPLWAGGIX-UHFFFAOYSA-N 2 1 339.402 1.488 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000521455803 448988977 /nfs/dbraw/zinc/98/89/77/448988977.db2.gz TVDGKKGDSSGSIY-RTBURBONSA-N 2 1 341.540 1.514 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592957839 449079904 /nfs/dbraw/zinc/07/99/04/449079904.db2.gz TUTODSYVLBSMAK-TZMCWYRMSA-N 2 1 330.436 1.290 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592957836 449079974 /nfs/dbraw/zinc/07/99/74/449079974.db2.gz TUTODSYVLBSMAK-GXTWGEPZSA-N 2 1 330.436 1.290 20 0 EDADMP C[C@H](C[NH2+]Cc1cccc(NS(C)(=O)=O)c1)C[NH+]1CCCC1 ZINC000589640944 449043734 /nfs/dbraw/zinc/04/37/34/449043734.db2.gz BQPBAMZRXDGEHL-CQSZACIVSA-N 2 1 325.478 1.880 20 0 EDADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000575157565 449051042 /nfs/dbraw/zinc/05/10/42/449051042.db2.gz QXUOLQQPAJFNBC-RDJZCZTQSA-N 2 1 331.464 1.469 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000575157565 449051048 /nfs/dbraw/zinc/05/10/48/449051048.db2.gz QXUOLQQPAJFNBC-RDJZCZTQSA-N 2 1 331.464 1.469 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COC[C@@H]1CCCO1 ZINC000522192900 449062264 /nfs/dbraw/zinc/06/22/64/449062264.db2.gz ZAVUWCGDSUCTRR-IRXDYDNUSA-N 2 1 341.496 1.057 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)[C@H](C)C1 ZINC000604418173 449227851 /nfs/dbraw/zinc/22/78/51/449227851.db2.gz KAJHNMCLRBIBRK-IKGGRYGDSA-N 2 1 335.496 1.651 20 0 EDADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1C ZINC000602010193 449273351 /nfs/dbraw/zinc/27/33/51/449273351.db2.gz DUTSPOHVIJBHBS-FUHWJXTLSA-N 2 1 349.475 1.669 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000604643700 449267918 /nfs/dbraw/zinc/26/79/18/449267918.db2.gz VZWDUDGZYOZWLT-IKGGRYGDSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)N[C@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000604643700 449267923 /nfs/dbraw/zinc/26/79/23/449267923.db2.gz VZWDUDGZYOZWLT-IKGGRYGDSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)N[C@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000604643700 449267928 /nfs/dbraw/zinc/26/79/28/449267928.db2.gz VZWDUDGZYOZWLT-IKGGRYGDSA-N 2 1 340.512 1.517 20 0 EDADMP COC(=O)CC(C)(C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000611420337 449286490 /nfs/dbraw/zinc/28/64/90/449286490.db2.gz GEAPZVXTNRJDFN-UHFFFAOYSA-N 2 1 348.447 1.751 20 0 EDADMP NC(=O)NC(=O)CC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596064015 449342635 /nfs/dbraw/zinc/34/26/35/449342635.db2.gz AICCINDHBYQJQT-MRXNPFEDSA-N 2 1 344.459 1.463 20 0 EDADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000614066444 449441383 /nfs/dbraw/zinc/44/13/83/449441383.db2.gz FREVQAPDQZWHQY-QFBILLFUSA-N 2 1 337.508 1.556 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000606419634 449463228 /nfs/dbraw/zinc/46/32/28/449463228.db2.gz NSGNNGKVKGDLCZ-QGZVFWFLSA-N 2 1 330.476 1.219 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000606419634 449463232 /nfs/dbraw/zinc/46/32/32/449463232.db2.gz NSGNNGKVKGDLCZ-QGZVFWFLSA-N 2 1 330.476 1.219 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000606715461 449515269 /nfs/dbraw/zinc/51/52/69/449515269.db2.gz DMNYRWDKJHOELN-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000606715461 449515276 /nfs/dbraw/zinc/51/52/76/449515276.db2.gz DMNYRWDKJHOELN-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)n2C ZINC000617346066 449568235 /nfs/dbraw/zinc/56/82/35/449568235.db2.gz NKIUKXQBXZOBPQ-GFCCVEGCSA-N 2 1 344.463 1.637 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)n2C ZINC000617346066 449568244 /nfs/dbraw/zinc/56/82/44/449568244.db2.gz NKIUKXQBXZOBPQ-GFCCVEGCSA-N 2 1 344.463 1.637 20 0 EDADMP C[S@](=O)Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000594525646 449561917 /nfs/dbraw/zinc/56/19/17/449561917.db2.gz XUNGPGDKOILOFQ-MBSDFSHPSA-N 2 1 336.501 1.908 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000600979092 449630401 /nfs/dbraw/zinc/63/04/01/449630401.db2.gz JOKDOXKXJLOIOZ-GOSISDBHSA-N 3 1 345.491 1.194 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000600979092 449630406 /nfs/dbraw/zinc/63/04/06/449630406.db2.gz JOKDOXKXJLOIOZ-GOSISDBHSA-N 2 1 345.491 1.194 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000600979092 449630412 /nfs/dbraw/zinc/63/04/12/449630412.db2.gz JOKDOXKXJLOIOZ-GOSISDBHSA-N 2 1 345.491 1.194 20 0 EDADMP Cc1cc(C)n([C@@H](C)CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000617504947 449650177 /nfs/dbraw/zinc/65/01/77/449650177.db2.gz QKFKGJOUVGNMHF-RDJZCZTQSA-N 2 1 337.512 1.839 20 0 EDADMP Cc1cc(C)n([C@@H](C)CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617504947 449650182 /nfs/dbraw/zinc/65/01/82/449650182.db2.gz QKFKGJOUVGNMHF-RDJZCZTQSA-N 2 1 337.512 1.839 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000617505026 449650295 /nfs/dbraw/zinc/65/02/95/449650295.db2.gz UBTDATYYMLHJFK-MWDXBVQZSA-N 2 1 326.529 1.636 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617505026 449650299 /nfs/dbraw/zinc/65/02/99/449650299.db2.gz UBTDATYYMLHJFK-MWDXBVQZSA-N 3 1 326.529 1.636 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617505026 449650303 /nfs/dbraw/zinc/65/03/03/449650303.db2.gz UBTDATYYMLHJFK-MWDXBVQZSA-N 3 1 326.529 1.636 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000617505026 449650307 /nfs/dbraw/zinc/65/03/07/449650307.db2.gz UBTDATYYMLHJFK-MWDXBVQZSA-N 3 1 326.529 1.636 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000617505026 449650310 /nfs/dbraw/zinc/65/03/10/449650310.db2.gz UBTDATYYMLHJFK-MWDXBVQZSA-N 3 1 326.529 1.636 20 0 EDADMP CC(=O)N[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1CCCC1 ZINC000617504325 449651141 /nfs/dbraw/zinc/65/11/41/449651141.db2.gz PYIKRAPVRPNICU-WMLDXEAASA-N 2 1 340.512 1.070 20 0 EDADMP CC(=O)N[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1CCCC1 ZINC000617504325 449651148 /nfs/dbraw/zinc/65/11/48/449651148.db2.gz PYIKRAPVRPNICU-WMLDXEAASA-N 2 1 340.512 1.070 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2c(n1)CCCC2 ZINC000617506162 449652418 /nfs/dbraw/zinc/65/24/18/449652418.db2.gz COKXYEKHSLCGOK-HNNXBMFYSA-N 2 1 332.492 1.962 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2c(n1)CCCC2 ZINC000617506162 449652426 /nfs/dbraw/zinc/65/24/26/449652426.db2.gz COKXYEKHSLCGOK-HNNXBMFYSA-N 2 1 332.492 1.962 20 0 EDADMP Cc1[nH]nc(C(F)(F)F)c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617505641 449652571 /nfs/dbraw/zinc/65/25/71/449652571.db2.gz LGFDYKUAAHJUCL-JTQLQIEISA-N 2 1 349.401 1.739 20 0 EDADMP Cc1[nH]nc(C(F)(F)F)c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617505641 449652576 /nfs/dbraw/zinc/65/25/76/449652576.db2.gz LGFDYKUAAHJUCL-JTQLQIEISA-N 2 1 349.401 1.739 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000614506813 449657183 /nfs/dbraw/zinc/65/71/83/449657183.db2.gz IYEVXASGZMLGGB-FUHWJXTLSA-N 2 1 334.508 1.147 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000614506813 449657188 /nfs/dbraw/zinc/65/71/88/449657188.db2.gz IYEVXASGZMLGGB-FUHWJXTLSA-N 2 1 334.508 1.147 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000614506813 449657193 /nfs/dbraw/zinc/65/71/93/449657193.db2.gz IYEVXASGZMLGGB-FUHWJXTLSA-N 2 1 334.508 1.147 20 0 EDADMP CCOc1nc(C)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507496 449658780 /nfs/dbraw/zinc/65/87/80/449658780.db2.gz YZSRREGYZVQOPQ-HNNXBMFYSA-N 2 1 336.480 1.791 20 0 EDADMP CCOc1nc(C)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507496 449658781 /nfs/dbraw/zinc/65/87/81/449658781.db2.gz YZSRREGYZVQOPQ-HNNXBMFYSA-N 2 1 336.480 1.791 20 0 EDADMP C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617503582 449647396 /nfs/dbraw/zinc/64/73/96/449647396.db2.gz PIEVDYRCPUGEAB-JKSUJKDBSA-N 2 1 348.491 1.193 20 0 EDADMP C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617503582 449647401 /nfs/dbraw/zinc/64/74/01/449647401.db2.gz PIEVDYRCPUGEAB-JKSUJKDBSA-N 2 1 348.491 1.193 20 0 EDADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)on1 ZINC000602711157 449762790 /nfs/dbraw/zinc/76/27/90/449762790.db2.gz OWJIXUHHYASMKS-HNNXBMFYSA-N 2 1 345.399 1.318 20 0 EDADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)on1 ZINC000602711157 449762794 /nfs/dbraw/zinc/76/27/94/449762794.db2.gz OWJIXUHHYASMKS-HNNXBMFYSA-N 2 1 345.399 1.318 20 0 EDADMP C[C@H]1CN(CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)CO1 ZINC000617720309 449769353 /nfs/dbraw/zinc/76/93/53/449769353.db2.gz AWGYBBXNVXGZQM-KBPBESRZSA-N 2 1 329.404 1.106 20 0 EDADMP CS[C@@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1[NH+](C)C ZINC000602800826 449819337 /nfs/dbraw/zinc/81/93/37/449819337.db2.gz VQAJQKNAHDBGEV-IPMKNSEASA-N 2 1 349.544 1.601 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000601328649 449836852 /nfs/dbraw/zinc/83/68/52/449836852.db2.gz WRTIITQMRDDOKT-CVEARBPZSA-N 2 1 326.485 1.269 20 0 EDADMP CN1CC[NH+](CC2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)CC1 ZINC000615273077 450037335 /nfs/dbraw/zinc/03/73/35/450037335.db2.gz ORCSDFUBKZNNNY-GOSISDBHSA-N 2 1 348.535 1.347 20 0 EDADMP C[NH+]1CCN(CC2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)CC1 ZINC000615273077 450037340 /nfs/dbraw/zinc/03/73/40/450037340.db2.gz ORCSDFUBKZNNNY-GOSISDBHSA-N 2 1 348.535 1.347 20 0 EDADMP C[NH+]1CCN(CC2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)CC1 ZINC000615273077 450037346 /nfs/dbraw/zinc/03/73/46/450037346.db2.gz ORCSDFUBKZNNNY-GOSISDBHSA-N 2 1 348.535 1.347 20 0 EDADMP CN(CC1C[NH+](C)C1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000618190793 450046651 /nfs/dbraw/zinc/04/66/51/450046651.db2.gz GQFHSTCSVLLBTD-UHFFFAOYSA-N 2 1 335.358 1.839 20 0 EDADMP O=C(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000613209475 450080301 /nfs/dbraw/zinc/08/03/01/450080301.db2.gz XGLKLKVUXWPNCP-AWEZNQCLSA-N 2 1 331.464 1.332 20 0 EDADMP O=C(C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000613209475 450080313 /nfs/dbraw/zinc/08/03/13/450080313.db2.gz XGLKLKVUXWPNCP-AWEZNQCLSA-N 2 1 331.464 1.332 20 0 EDADMP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613208681 450080473 /nfs/dbraw/zinc/08/04/73/450080473.db2.gz DUYAVTPSYYRRGQ-GRYCIOLGSA-N 2 1 331.243 1.884 20 0 EDADMP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613208681 450080478 /nfs/dbraw/zinc/08/04/78/450080478.db2.gz DUYAVTPSYYRRGQ-GRYCIOLGSA-N 2 1 331.243 1.884 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC(C[NH+](C)C)C3)cc2)C[C@H](C)O1 ZINC000615513531 450120488 /nfs/dbraw/zinc/12/04/88/450120488.db2.gz TVECEDWXDPJXOY-IYBDPMFKSA-N 2 1 345.487 1.929 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC(C[NH+](C)C)C3)cc2)C[C@H](C)O1 ZINC000615513531 450120494 /nfs/dbraw/zinc/12/04/94/450120494.db2.gz TVECEDWXDPJXOY-IYBDPMFKSA-N 2 1 345.487 1.929 20 0 EDADMP Cn1cncc1CCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000613413695 450169100 /nfs/dbraw/zinc/16/91/00/450169100.db2.gz PHLXZJHTOUWYSF-UHFFFAOYSA-N 2 1 337.427 1.862 20 0 EDADMP Cn1cncc1CCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000613413695 450169110 /nfs/dbraw/zinc/16/91/10/450169110.db2.gz PHLXZJHTOUWYSF-UHFFFAOYSA-N 2 1 337.427 1.862 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CC3=CCCOC3)CC2)CC1 ZINC000618385438 450188364 /nfs/dbraw/zinc/18/83/64/450188364.db2.gz YORAKQWJFYCHLU-UHFFFAOYSA-N 2 1 349.519 1.988 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000603430645 450299281 /nfs/dbraw/zinc/29/92/81/450299281.db2.gz AZSKATIUPXAMFV-GLQYFDAESA-N 2 1 333.432 1.193 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC[C@H](O)C[NH+]2CCCC2)cc1F ZINC000620158878 450444334 /nfs/dbraw/zinc/44/43/34/450444334.db2.gz CSNLAWWEBGJMOC-INIZCTEOSA-N 2 1 332.423 1.866 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620484446 450502287 /nfs/dbraw/zinc/50/22/87/450502287.db2.gz LLWMOTUEZHNJQI-SFHVURJKSA-N 2 1 339.524 1.946 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC1(C)COC1 ZINC000625790460 450508309 /nfs/dbraw/zinc/50/83/09/450508309.db2.gz AJDNONMEAVBFJM-WMZOPIPTSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC1(C)COC1 ZINC000625790460 450508310 /nfs/dbraw/zinc/50/83/10/450508310.db2.gz AJDNONMEAVBFJM-WMZOPIPTSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC1(C)COC1 ZINC000625790460 450508313 /nfs/dbraw/zinc/50/83/13/450508313.db2.gz AJDNONMEAVBFJM-WMZOPIPTSA-N 2 1 345.487 1.734 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1(C)C ZINC000623375169 450508955 /nfs/dbraw/zinc/50/89/55/450508955.db2.gz AVPICWFQAOTYGO-ZIAGYGMSSA-N 2 1 336.432 1.617 20 0 EDADMP C[NH+]1CCN(c2ncccc2CN[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623379534 450509726 /nfs/dbraw/zinc/50/97/26/450509726.db2.gz WTNXTJQSFZSPEU-KRWDZBQOSA-N 2 1 331.508 1.796 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623485991 450530034 /nfs/dbraw/zinc/53/00/34/450530034.db2.gz IKKSQTVRUZKXMK-MRXNPFEDSA-N 2 1 345.553 1.899 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)n1 ZINC000620778991 450543174 /nfs/dbraw/zinc/54/31/74/450543174.db2.gz HRSWADPWPSORKG-KRWDZBQOSA-N 2 1 341.459 1.449 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)n1 ZINC000620778991 450543175 /nfs/dbraw/zinc/54/31/75/450543175.db2.gz HRSWADPWPSORKG-KRWDZBQOSA-N 2 1 341.459 1.449 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000623621262 450553433 /nfs/dbraw/zinc/55/34/33/450553433.db2.gz UGSRCLUPHMNLCF-GVDBMIGSSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000623621262 450553434 /nfs/dbraw/zinc/55/34/34/450553434.db2.gz UGSRCLUPHMNLCF-GVDBMIGSSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000623621262 450553435 /nfs/dbraw/zinc/55/34/35/450553435.db2.gz UGSRCLUPHMNLCF-GVDBMIGSSA-N 2 1 340.512 1.517 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000623663918 450562666 /nfs/dbraw/zinc/56/26/66/450562666.db2.gz HTTQHDCNQWDXHB-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000623663918 450562668 /nfs/dbraw/zinc/56/26/68/450562668.db2.gz HTTQHDCNQWDXHB-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000623663918 450562671 /nfs/dbraw/zinc/56/26/71/450562671.db2.gz HTTQHDCNQWDXHB-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000620967577 450566609 /nfs/dbraw/zinc/56/66/09/450566609.db2.gz SUBXGJQLUDDJMM-ZWKOTPCHSA-N 2 1 333.476 1.859 20 0 EDADMP CCC1([NH+]2CCOCC2)CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000626089579 450573357 /nfs/dbraw/zinc/57/33/57/450573357.db2.gz WEXWMVGRZNKRJF-KRWDZBQOSA-N 2 1 325.497 1.018 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)[NH+]1CCSCC1 ZINC000621107551 450581451 /nfs/dbraw/zinc/58/14/51/450581451.db2.gz IHMDSFDZDVJUHH-GOEBONIOSA-N 2 1 325.522 1.662 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)[NH+]1CCSCC1 ZINC000621107551 450581454 /nfs/dbraw/zinc/58/14/54/450581454.db2.gz IHMDSFDZDVJUHH-GOEBONIOSA-N 2 1 325.522 1.662 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000633074213 450659212 /nfs/dbraw/zinc/65/92/12/450659212.db2.gz MRKWQMVFPACREU-SFHVURJKSA-N 2 1 330.476 1.963 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000635133530 450678909 /nfs/dbraw/zinc/67/89/09/450678909.db2.gz VIASVSHEYBVGRH-UHFFFAOYSA-N 2 1 338.455 1.905 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)C[C@@H]1C ZINC000633095509 450680294 /nfs/dbraw/zinc/68/02/94/450680294.db2.gz UMRBOCORMGQZKY-XHSDSOJGSA-N 2 1 338.496 1.048 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000624122192 450715861 /nfs/dbraw/zinc/71/58/61/450715861.db2.gz LYOQAUIXAQYCFP-ZIAGYGMSSA-N 2 1 325.478 1.717 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000624122192 450715864 /nfs/dbraw/zinc/71/58/64/450715864.db2.gz LYOQAUIXAQYCFP-ZIAGYGMSSA-N 2 1 325.478 1.717 20 0 EDADMP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C[NH+]1CCCC1 ZINC000629562364 450737052 /nfs/dbraw/zinc/73/70/52/450737052.db2.gz BQQRGAQXRYPOLQ-FQEVSTJZSA-N 3 1 347.503 1.190 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000629653468 450772521 /nfs/dbraw/zinc/77/25/21/450772521.db2.gz JELREWBWXFBGHT-QGZVFWFLSA-N 2 1 329.444 1.782 20 0 EDADMP c1cc(CN2CCO[C@@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)ccn1 ZINC000624263800 450770145 /nfs/dbraw/zinc/77/01/45/450770145.db2.gz ONGAJJXAYLNBOB-IBGZPJMESA-N 2 1 330.476 1.499 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840275 450808854 /nfs/dbraw/zinc/80/88/54/450808854.db2.gz RBJSSNRHOCDUFW-OWCLPIDISA-N 2 1 348.466 1.389 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)CCC[NH+](C)C)C1 ZINC000631940296 450897604 /nfs/dbraw/zinc/89/76/04/450897604.db2.gz SNFDDEDNWVZKRH-OAHLLOKOSA-N 2 1 333.542 1.758 20 0 EDADMP O=S(=O)(CCC[NH+]1CCCC1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000631943784 450901527 /nfs/dbraw/zinc/90/15/27/450901527.db2.gz FOORNLAUNUVKAP-QGZVFWFLSA-N 2 1 337.489 1.449 20 0 EDADMP CN1CCC(CNC(=O)C[N@@H+](C)C2CCC2)([NH+]2CCCCC2)CC1 ZINC000629964990 450922479 /nfs/dbraw/zinc/92/24/79/450922479.db2.gz NNXLAPMCQDFWLJ-UHFFFAOYSA-N 2 1 336.524 1.537 20 0 EDADMP C[NH2+]C1(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000629998681 450943917 /nfs/dbraw/zinc/94/39/17/450943917.db2.gz IKNDCJOFBKPDNS-UHFFFAOYSA-N 2 1 330.476 1.063 20 0 EDADMP CC(C)C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)n1ccnc1 ZINC000635489899 450986838 /nfs/dbraw/zinc/98/68/38/450986838.db2.gz ZKAVJUKHKQGQBY-HZPDHXFCSA-N 2 1 349.479 1.174 20 0 EDADMP CC[C@@H](CNC(=O)NC[C@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000626934088 451016525 /nfs/dbraw/zinc/01/65/25/451016525.db2.gz BBWXONKIFBJBAR-ROUUACIJSA-N 2 1 346.475 1.111 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635562084 451060895 /nfs/dbraw/zinc/06/08/95/451060895.db2.gz VVFWSHHCZVIVSA-KRWDZBQOSA-N 2 1 336.524 1.252 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000632160069 451080278 /nfs/dbraw/zinc/08/02/78/451080278.db2.gz SYZWSLYRWXIMIQ-ZWKOTPCHSA-N 2 1 341.459 1.620 20 0 EDADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000635584268 451082909 /nfs/dbraw/zinc/08/29/09/451082909.db2.gz YYMSKFLOXOLYEZ-GOSISDBHSA-N 2 1 335.492 1.574 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000627038811 451095296 /nfs/dbraw/zinc/09/52/96/451095296.db2.gz OJGPCJSWWDIDAI-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CC[N@H+]3C3CCCC3)C2)CC1 ZINC000635551584 451048722 /nfs/dbraw/zinc/04/87/22/451048722.db2.gz NWFKCYXGXXDGQG-MAUKXSAKSA-N 2 1 334.508 1.288 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000635641323 451129147 /nfs/dbraw/zinc/12/91/47/451129147.db2.gz UZJIRJKMQIAGLX-MRXNPFEDSA-N 2 1 336.480 1.966 20 0 EDADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635705021 451184469 /nfs/dbraw/zinc/18/44/69/451184469.db2.gz RHHWUBVQMNPWFT-CEXWTWQISA-N 2 1 349.519 1.887 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248041 451207388 /nfs/dbraw/zinc/20/73/88/451207388.db2.gz DDOMMDOLQLXNGW-SJORKVTESA-N 2 1 331.464 1.439 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000635745458 451215098 /nfs/dbraw/zinc/21/50/98/451215098.db2.gz WGIALBIOMQLTFM-ZWKOTPCHSA-N 2 1 345.487 1.906 20 0 EDADMP [NH3+]Cc1ncc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000638086396 451252123 /nfs/dbraw/zinc/25/21/23/451252123.db2.gz YYDGQAQGDIARRI-ZDUSSCGKSA-N 2 1 345.472 1.639 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@@]2(C)C[NH2+]CCO2)cc1)[NH+]1CCOCC1 ZINC000638101145 451267894 /nfs/dbraw/zinc/26/78/94/451267894.db2.gz NZZLEUOCBMDYAP-RDTXWAMCSA-N 2 1 333.432 1.397 20 0 EDADMP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3=CC[C@H]([NH3+])C3)CC2)c1 ZINC000638102053 451268699 /nfs/dbraw/zinc/26/86/99/451268699.db2.gz HERCWDTYOYOCMF-YOEHRIQHSA-N 2 1 329.444 1.948 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000638111778 451279986 /nfs/dbraw/zinc/27/99/86/451279986.db2.gz HJOYHCBRIMFKNR-HKUYNNGSSA-N 2 1 344.503 1.403 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638112897 451280792 /nfs/dbraw/zinc/28/07/92/451280792.db2.gz WPNPJGPIKCDCLP-BJLQDIEVSA-N 2 1 345.487 1.734 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000638130936 451302577 /nfs/dbraw/zinc/30/25/77/451302577.db2.gz JWMMADJRIVYWIK-VDZJLULYSA-N 2 1 333.476 1.780 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCO1 ZINC000638173482 451336141 /nfs/dbraw/zinc/33/61/41/451336141.db2.gz XTUMTTUUYSBYJI-HZPDHXFCSA-N 2 1 337.851 1.491 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCO1 ZINC000638173482 451336145 /nfs/dbraw/zinc/33/61/45/451336145.db2.gz XTUMTTUUYSBYJI-HZPDHXFCSA-N 2 1 337.851 1.491 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000640444916 451321872 /nfs/dbraw/zinc/32/18/72/451321872.db2.gz OHPAPSFBXBLTQG-ZIAGYGMSSA-N 2 1 334.468 1.706 20 0 EDADMP C[N@@H+]1CCCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000628753409 451398148 /nfs/dbraw/zinc/39/81/48/451398148.db2.gz YBQUTOJXNGUHGT-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP C[N@H+]1CCCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000628753409 451398153 /nfs/dbraw/zinc/39/81/53/451398153.db2.gz YBQUTOJXNGUHGT-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000628753409 451398157 /nfs/dbraw/zinc/39/81/57/451398157.db2.gz YBQUTOJXNGUHGT-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000628753409 451398162 /nfs/dbraw/zinc/39/81/62/451398162.db2.gz YBQUTOJXNGUHGT-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638298759 451413519 /nfs/dbraw/zinc/41/35/19/451413519.db2.gz GDXFJMNAJLJKMD-GOSISDBHSA-N 2 1 343.475 1.499 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638298759 451413523 /nfs/dbraw/zinc/41/35/23/451413523.db2.gz GDXFJMNAJLJKMD-GOSISDBHSA-N 2 1 343.475 1.499 20 0 EDADMP C[C@](O)(C[C@@H](O)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000634642873 451436032 /nfs/dbraw/zinc/43/60/32/451436032.db2.gz RXJGYHCXTZJUGR-UXHICEINSA-N 2 1 332.488 1.936 20 0 EDADMP C[C@](O)(C[C@@H](O)C[NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000634642873 451436037 /nfs/dbraw/zinc/43/60/37/451436037.db2.gz RXJGYHCXTZJUGR-UXHICEINSA-N 2 1 332.488 1.936 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCC1(O)CCC1 ZINC000630879417 451457674 /nfs/dbraw/zinc/45/76/74/451457674.db2.gz JTDHKPQJSOLJNO-MRXNPFEDSA-N 2 1 325.497 1.556 20 0 EDADMP CN(C)c1cc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc[nH+]1 ZINC000640609130 451457910 /nfs/dbraw/zinc/45/79/10/451457910.db2.gz JQYCPPKJSKRYQY-UHFFFAOYSA-N 2 1 326.404 1.897 20 0 EDADMP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638398528 451487969 /nfs/dbraw/zinc/48/79/69/451487969.db2.gz UXVROOWBBOAXLO-WMZOPIPTSA-N 3 1 344.503 1.708 20 0 EDADMP CO[C@@H]1COCC[C@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715328 451496112 /nfs/dbraw/zinc/49/61/12/451496112.db2.gz AYSJABKVBNOPIL-IPMKNSEASA-N 2 1 334.460 1.265 20 0 EDADMP CO[C@@H]1COCC[C@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715328 451496114 /nfs/dbraw/zinc/49/61/14/451496114.db2.gz AYSJABKVBNOPIL-IPMKNSEASA-N 2 1 334.460 1.265 20 0 EDADMP C[N@@H+](C[C@@H](O)CN[C@@H](CCO)c1ccc(Cl)c(F)c1)C1CC1 ZINC000634723834 451503925 /nfs/dbraw/zinc/50/39/25/451503925.db2.gz DUORAMVBXAEZEL-BBRMVZONSA-N 2 1 330.831 1.947 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000636089939 451507760 /nfs/dbraw/zinc/50/77/60/451507760.db2.gz CHEIJBUEAIUQDW-ZIAGYGMSSA-N 2 1 344.463 1.681 20 0 EDADMP CC(=O)N(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000640680060 451508150 /nfs/dbraw/zinc/50/81/50/451508150.db2.gz YVBAVQOSLUGOAH-INIZCTEOSA-N 2 1 348.491 1.428 20 0 EDADMP CC(=O)N(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000640680060 451508160 /nfs/dbraw/zinc/50/81/60/451508160.db2.gz YVBAVQOSLUGOAH-INIZCTEOSA-N 2 1 348.491 1.428 20 0 EDADMP [NH3+]C1(CC(=O)NCC23CC(C2)C[NH2+]3)CC[NH+](Cc2ccccc2)CC1 ZINC000638428604 451509999 /nfs/dbraw/zinc/50/99/99/451509999.db2.gz YPODFFLVUPIQKN-UHFFFAOYSA-N 3 1 342.487 1.238 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000638509187 451551564 /nfs/dbraw/zinc/55/15/64/451551564.db2.gz CMXPKRSVCNARHH-HNNXBMFYSA-N 2 1 331.464 1.033 20 0 EDADMP CO[C@@H](C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC000638570947 451582027 /nfs/dbraw/zinc/58/20/27/451582027.db2.gz DITJISSGAHKQAZ-IRXDYDNUSA-N 2 1 325.497 1.759 20 0 EDADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000638679229 451648485 /nfs/dbraw/zinc/64/84/85/451648485.db2.gz RYVVLZUKTWZSPG-POAQFYNOSA-N 2 1 345.487 1.660 20 0 EDADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000638679229 451648491 /nfs/dbraw/zinc/64/84/91/451648491.db2.gz RYVVLZUKTWZSPG-POAQFYNOSA-N 2 1 345.487 1.660 20 0 EDADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnc(N)nc2N)C[N@H+]1Cc1ccccc1 ZINC000638797153 451694295 /nfs/dbraw/zinc/69/42/95/451694295.db2.gz PASUQGRKPNXSIY-ZBFHGGJFSA-N 2 1 340.475 1.692 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000638851618 451710617 /nfs/dbraw/zinc/71/06/17/451710617.db2.gz LAWOEQFPAZNGGC-BPQIPLTHSA-N 2 1 332.492 1.150 20 0 EDADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccco1 ZINC000637139404 451739278 /nfs/dbraw/zinc/73/92/78/451739278.db2.gz JYQAULOTGBSQBQ-ZNMIVQPWSA-N 2 1 338.452 1.075 20 0 EDADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)Nc1cnn(C3CC[NH+](C)CC3)c1)C2 ZINC000637197622 451753687 /nfs/dbraw/zinc/75/36/87/451753687.db2.gz JWRQWLMSAMAVND-FUCXHRTASA-N 2 1 346.479 1.897 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000641214241 451783610 /nfs/dbraw/zinc/78/36/10/451783610.db2.gz AOGOSDARGXZIAA-QGZVFWFLSA-N 2 1 329.448 1.238 20 0 EDADMP C[N@@H+](C[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1)C1CC1 ZINC000641221026 451787328 /nfs/dbraw/zinc/78/73/28/451787328.db2.gz DVDVXNDWNPPWBO-GOEBONIOSA-N 2 1 335.839 1.435 20 0 EDADMP CC(C)[C@H]([NH3+])c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641229376 451790660 /nfs/dbraw/zinc/79/06/60/451790660.db2.gz HZJPWYWFLXKKBO-ROUUACIJSA-N 2 1 329.448 1.571 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000642006509 451804662 /nfs/dbraw/zinc/80/46/62/451804662.db2.gz AMDSJNBVYZIAAQ-FUHWJXTLSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000642006509 451804671 /nfs/dbraw/zinc/80/46/71/451804671.db2.gz AMDSJNBVYZIAAQ-FUHWJXTLSA-N 2 1 346.475 1.281 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)CC2)[nH+]c1 ZINC000646845237 451882916 /nfs/dbraw/zinc/88/29/16/451882916.db2.gz HKSOMWDVJUQBNT-HOCLYGCPSA-N 2 1 332.448 1.181 20 0 EDADMP CNC(=O)C1CCC([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644621833 451899536 /nfs/dbraw/zinc/89/95/36/451899536.db2.gz QODLKZGSTFSVBN-DAWZGUTISA-N 2 1 333.476 1.374 20 0 EDADMP CNC(=O)C1CCC([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644621833 451899541 /nfs/dbraw/zinc/89/95/41/451899541.db2.gz QODLKZGSTFSVBN-DAWZGUTISA-N 2 1 333.476 1.374 20 0 EDADMP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC[N@@H+]1C ZINC000639510190 451915493 /nfs/dbraw/zinc/91/54/93/451915493.db2.gz XYIKRBWPTUAUDI-RRFJBIMHSA-N 2 1 345.443 1.058 20 0 EDADMP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC[N@H+]1C ZINC000639510190 451915501 /nfs/dbraw/zinc/91/55/01/451915501.db2.gz XYIKRBWPTUAUDI-RRFJBIMHSA-N 2 1 345.443 1.058 20 0 EDADMP C[C@H]1C[C@H]([N@H+](C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC[NH+]1C ZINC000639510190 451915508 /nfs/dbraw/zinc/91/55/08/451915508.db2.gz XYIKRBWPTUAUDI-RRFJBIMHSA-N 2 1 345.443 1.058 20 0 EDADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC[NH+]1C ZINC000639510190 451915515 /nfs/dbraw/zinc/91/55/15/451915515.db2.gz XYIKRBWPTUAUDI-RRFJBIMHSA-N 2 1 345.443 1.058 20 0 EDADMP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccc(F)cc3)[C@@H]2C1 ZINC000646915141 451933018 /nfs/dbraw/zinc/93/30/18/451933018.db2.gz KIWGJYCJIHPWDQ-RYQLBKOJSA-N 2 1 331.435 1.953 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccc(F)cc3)[C@@H]2C1 ZINC000646915141 451933023 /nfs/dbraw/zinc/93/30/23/451933023.db2.gz KIWGJYCJIHPWDQ-RYQLBKOJSA-N 2 1 331.435 1.953 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)[C@@H]2C1 ZINC000646915141 451933032 /nfs/dbraw/zinc/93/30/32/451933032.db2.gz KIWGJYCJIHPWDQ-RYQLBKOJSA-N 2 1 331.435 1.953 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)[C@@H]2C1 ZINC000646915141 451933038 /nfs/dbraw/zinc/93/30/38/451933038.db2.gz KIWGJYCJIHPWDQ-RYQLBKOJSA-N 2 1 331.435 1.953 20 0 EDADMP C[N@H+](CCc1cnccn1)[C@@H]1CCC[NH+](CCc2cnccn2)CC1 ZINC000639547069 451938537 /nfs/dbraw/zinc/93/85/37/451938537.db2.gz PSXVPGJLNQCDGK-LJQANCHMSA-N 2 1 340.475 1.838 20 0 EDADMP C[N@@H+](CCc1cnccn1)[C@@H]1CCC[NH+](CCc2cnccn2)CC1 ZINC000639547069 451938540 /nfs/dbraw/zinc/93/85/40/451938540.db2.gz PSXVPGJLNQCDGK-LJQANCHMSA-N 2 1 340.475 1.838 20 0 EDADMP C[NH+](CCc1cnccn1)[C@@H]1CCC[N@H+](CCc2cnccn2)CC1 ZINC000639547069 451938541 /nfs/dbraw/zinc/93/85/41/451938541.db2.gz PSXVPGJLNQCDGK-LJQANCHMSA-N 2 1 340.475 1.838 20 0 EDADMP C[NH+](CCc1cnccn1)[C@@H]1CCC[N@@H+](CCc2cnccn2)CC1 ZINC000639547069 451938543 /nfs/dbraw/zinc/93/85/43/451938543.db2.gz PSXVPGJLNQCDGK-LJQANCHMSA-N 2 1 340.475 1.838 20 0 EDADMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000646925509 451942381 /nfs/dbraw/zinc/94/23/81/451942381.db2.gz QTELKUCDGWXIDJ-WDSOQIARSA-N 2 1 343.471 1.347 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000646925509 451942387 /nfs/dbraw/zinc/94/23/87/451942387.db2.gz QTELKUCDGWXIDJ-WDSOQIARSA-N 2 1 343.471 1.347 20 0 EDADMP C[N@@H+](CCN1CCO[C@H](CN2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000649296093 451970842 /nfs/dbraw/zinc/97/08/42/451970842.db2.gz CKXWDVBGWXPXBK-HXUWFJFHSA-N 2 1 346.519 1.067 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000637608588 451971751 /nfs/dbraw/zinc/97/17/51/451971751.db2.gz WNPCLTCURYWHHN-WMZOPIPTSA-N 2 1 330.476 1.759 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCC[NH2+]1 ZINC000649310535 451987741 /nfs/dbraw/zinc/98/77/41/451987741.db2.gz QVUBRIIDEPVHMV-UYAOXDASSA-N 2 1 345.487 1.436 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000649313815 451991696 /nfs/dbraw/zinc/99/16/96/451991696.db2.gz YPQHQOFRNQLNGY-BPUTZDHNSA-N 2 1 344.459 1.320 20 0 EDADMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000649327002 452007146 /nfs/dbraw/zinc/00/71/46/452007146.db2.gz NIUSDAJFGLERTC-JKSUJKDBSA-N 2 1 331.464 1.047 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000649344745 452024371 /nfs/dbraw/zinc/02/43/71/452024371.db2.gz OEMJGMZEORZRSS-INIZCTEOSA-N 2 1 327.472 1.673 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000649344746 452024623 /nfs/dbraw/zinc/02/46/23/452024623.db2.gz OEMJGMZEORZRSS-MRXNPFEDSA-N 2 1 327.472 1.673 20 0 EDADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F)Cc1ccc(F)cc1 ZINC000649344202 452024958 /nfs/dbraw/zinc/02/49/58/452024958.db2.gz DMFCEGRKGSMEDF-AWEZNQCLSA-N 2 1 329.366 1.619 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000649351129 452035993 /nfs/dbraw/zinc/03/59/93/452035993.db2.gz QABMPECBWPNUIP-AHCXZYCDSA-N 2 1 328.460 1.064 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1CCC([NH3+])CC1 ZINC000649352922 452037936 /nfs/dbraw/zinc/03/79/36/452037936.db2.gz UUAJXPLLNPEIRL-WWDZGPRUSA-N 2 1 344.503 1.831 20 0 EDADMP C[C@@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)[NH+](C)C ZINC000649368902 452045656 /nfs/dbraw/zinc/04/56/56/452045656.db2.gz RMCHOCVBNLSGJU-ZDUSSCGKSA-N 2 1 333.480 1.533 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649418226 452080336 /nfs/dbraw/zinc/08/03/36/452080336.db2.gz LCZMXBXGIYKPAE-RYRKJORJSA-N 2 1 345.491 1.627 20 0 EDADMP CN(C(=O)c1ncn(C(C)(C)C)n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000643230325 452084556 /nfs/dbraw/zinc/08/45/56/452084556.db2.gz NKPQIQRWWRACFG-HNNXBMFYSA-N 2 1 348.495 1.274 20 0 EDADMP CN(C(=O)c1ncn(C(C)(C)C)n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000643230325 452084559 /nfs/dbraw/zinc/08/45/59/452084559.db2.gz NKPQIQRWWRACFG-HNNXBMFYSA-N 2 1 348.495 1.274 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CCN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000639755211 452095107 /nfs/dbraw/zinc/09/51/07/452095107.db2.gz IDSPYLCLDFVBPR-UHFFFAOYSA-N 2 1 327.428 1.700 20 0 EDADMP OCC[NH+](Cc1cncc(C[N@H+](CCO)C2CCC2)c1)C1CCC1 ZINC000649470118 452099148 /nfs/dbraw/zinc/09/91/48/452099148.db2.gz PCYKQPBVBSJCCM-UHFFFAOYSA-N 2 1 333.476 1.775 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000639760562 452099753 /nfs/dbraw/zinc/09/97/53/452099753.db2.gz BSFAFXHUPCODGH-SFHVURJKSA-N 2 1 336.432 1.573 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000639760562 452099756 /nfs/dbraw/zinc/09/97/56/452099756.db2.gz BSFAFXHUPCODGH-SFHVURJKSA-N 2 1 336.432 1.573 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000639769255 452112165 /nfs/dbraw/zinc/11/21/65/452112165.db2.gz WPRHHCPLAQEAHT-DLBZAZTESA-N 2 1 326.868 1.632 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000639769255 452112171 /nfs/dbraw/zinc/11/21/71/452112171.db2.gz WPRHHCPLAQEAHT-DLBZAZTESA-N 2 1 326.868 1.632 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000637846730 452113275 /nfs/dbraw/zinc/11/32/75/452113275.db2.gz YPSUHGXUUBIEIS-MSOLQXFVSA-N 2 1 332.492 1.470 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000637846730 452113280 /nfs/dbraw/zinc/11/32/80/452113280.db2.gz YPSUHGXUUBIEIS-MSOLQXFVSA-N 2 1 332.492 1.470 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637861812 452119537 /nfs/dbraw/zinc/11/95/37/452119537.db2.gz JKHPWTLAPBZPRF-GOSISDBHSA-N 3 1 344.503 1.580 20 0 EDADMP C[C@@H]1CN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000637899977 452150947 /nfs/dbraw/zinc/15/09/47/452150947.db2.gz UYGIBHQIBIXTGZ-MRXNPFEDSA-N 2 1 331.460 1.617 20 0 EDADMP [NH3+][C@@H]1CC=C(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000637953999 452200625 /nfs/dbraw/zinc/20/06/25/452200625.db2.gz RLLISAJFGDKJIF-CYBMUJFWSA-N 2 1 335.370 1.147 20 0 EDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000643455480 452232931 /nfs/dbraw/zinc/23/29/31/452232931.db2.gz JYGUAGDYDPFDPV-QRVBRYPASA-N 2 1 338.540 1.293 20 0 EDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000643455480 452232938 /nfs/dbraw/zinc/23/29/38/452232938.db2.gz JYGUAGDYDPFDPV-QRVBRYPASA-N 2 1 338.540 1.293 20 0 EDADMP CCOc1c(OC)cc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647492834 452235640 /nfs/dbraw/zinc/23/56/40/452235640.db2.gz CFPDJDQEYVEQMF-UHFFFAOYSA-N 2 1 337.464 1.440 20 0 EDADMP COc1ccc(-c2n[nH]cc2C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647492883 452236461 /nfs/dbraw/zinc/23/64/61/452236461.db2.gz GCEVRECLWHXLRR-UHFFFAOYSA-N 2 1 329.448 1.422 20 0 EDADMP [NH3+]Cc1nc(-c2ccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)cc2)n[nH]1 ZINC000655459018 452252788 /nfs/dbraw/zinc/25/27/88/452252788.db2.gz YFKKJPRVIOVLKF-GUYCJALGSA-N 2 1 326.404 1.259 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1(C)C ZINC000657457918 452258162 /nfs/dbraw/zinc/25/81/62/452258162.db2.gz FIVIABUAULQYII-UHFFFAOYSA-N 3 1 328.464 1.383 20 0 EDADMP C[N@@H+]1CCN(CC[NH2+]Cc2ccnn2-c2ccncc2)CC1(C)C ZINC000657457918 452258174 /nfs/dbraw/zinc/25/81/74/452258174.db2.gz FIVIABUAULQYII-UHFFFAOYSA-N 2 1 328.464 1.383 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2ccnn2-c2ccncc2)CC1(C)C ZINC000657457918 452258187 /nfs/dbraw/zinc/25/81/87/452258187.db2.gz FIVIABUAULQYII-UHFFFAOYSA-N 2 1 328.464 1.383 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000659433996 452279290 /nfs/dbraw/zinc/27/92/90/452279290.db2.gz DVOKEGVNUMXDEK-INIZCTEOSA-N 2 1 347.507 1.576 20 0 EDADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000641803826 452280312 /nfs/dbraw/zinc/28/03/12/452280312.db2.gz IBOWORBXQZGUGM-VUCTXSBTSA-N 2 1 347.459 1.220 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCc1ccccc1Cn1cccn1 ZINC000641804364 452280444 /nfs/dbraw/zinc/28/04/44/452280444.db2.gz YXUVLDGRLZVEFT-SJORKVTESA-N 2 1 341.459 1.263 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000641803246 452280898 /nfs/dbraw/zinc/28/08/98/452280898.db2.gz RQMDEDRJBJUWIU-IRXDYDNUSA-N 2 1 330.476 1.046 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000659442539 452290585 /nfs/dbraw/zinc/29/05/85/452290585.db2.gz JEWXXKBWDQDULO-GJZGRUSLSA-N 2 1 334.464 1.314 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000659442539 452290592 /nfs/dbraw/zinc/29/05/92/452290592.db2.gz JEWXXKBWDQDULO-GJZGRUSLSA-N 2 1 334.464 1.314 20 0 EDADMP C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000641814530 452295229 /nfs/dbraw/zinc/29/52/29/452295229.db2.gz MLFHWVLHSRMQBJ-HOTGVXAUSA-N 2 1 338.496 1.100 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659457746 452311033 /nfs/dbraw/zinc/31/10/33/452311033.db2.gz KFFATODAFKORKV-MSOLQXFVSA-N 2 1 334.508 1.892 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000659460628 452315496 /nfs/dbraw/zinc/31/54/96/452315496.db2.gz ZOSROHJGIBWWPB-HZPDHXFCSA-N 2 1 333.480 1.104 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645340423 452317463 /nfs/dbraw/zinc/31/74/63/452317463.db2.gz RBEGAGPKPLRXJO-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000639987339 452318778 /nfs/dbraw/zinc/31/87/78/452318778.db2.gz BEHGXQWFVIMJSD-ROUUACIJSA-N 2 1 340.508 1.883 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCC[N@H+]1CCc3ccccc3C1)C2 ZINC000652127351 452324726 /nfs/dbraw/zinc/32/47/26/452324726.db2.gz OKUUEMXRRPXGFZ-ICSRJNTNSA-N 2 1 342.487 1.815 20 0 EDADMP [NH3+]C[C@@]1(C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCCOC1 ZINC000638057634 452346346 /nfs/dbraw/zinc/34/63/46/452346346.db2.gz OPZYAOZVKUVFKV-IBGZPJMESA-N 2 1 331.460 1.129 20 0 EDADMP CCO[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C[C@H]1C ZINC000665764137 452347795 /nfs/dbraw/zinc/34/77/95/452347795.db2.gz WANBDRAQLBMAIU-IKGGRYGDSA-N 2 1 342.528 1.715 20 0 EDADMP CCO[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C[C@H]1C ZINC000665764137 452347803 /nfs/dbraw/zinc/34/78/03/452347803.db2.gz WANBDRAQLBMAIU-IKGGRYGDSA-N 2 1 342.528 1.715 20 0 EDADMP CCN(C(=O)NCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@@H+](C)C1 ZINC000663624100 452359276 /nfs/dbraw/zinc/35/92/76/452359276.db2.gz LEQCKZSCLCRHIF-SFHVURJKSA-N 2 1 330.476 1.780 20 0 EDADMP CCN(C(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](C)C1 ZINC000663624100 452359281 /nfs/dbraw/zinc/35/92/81/452359281.db2.gz LEQCKZSCLCRHIF-SFHVURJKSA-N 2 1 330.476 1.780 20 0 EDADMP CCN(C(=O)NCC[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](C)C1 ZINC000663624100 452359285 /nfs/dbraw/zinc/35/92/85/452359285.db2.gz LEQCKZSCLCRHIF-SFHVURJKSA-N 2 1 330.476 1.780 20 0 EDADMP CCc1nn(C)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657598089 452369053 /nfs/dbraw/zinc/36/90/53/452369053.db2.gz YAXUSKRMYJZBKW-GOSISDBHSA-N 2 1 328.460 1.839 20 0 EDADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000638069053 452374136 /nfs/dbraw/zinc/37/41/36/452374136.db2.gz GVMSESCPAOTZQM-MJGOQNOKSA-N 2 1 331.460 1.318 20 0 EDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)N[C@H]1CC[NH2+]C1 ZINC000659517162 452381094 /nfs/dbraw/zinc/38/10/94/452381094.db2.gz XWKWYXFDDLGELX-ROUUACIJSA-N 2 1 342.487 1.950 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000638073563 452382669 /nfs/dbraw/zinc/38/26/69/452382669.db2.gz FFYXMWAJQXWMHD-RCCFBDPRSA-N 2 1 330.476 1.189 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000638073563 452382681 /nfs/dbraw/zinc/38/26/81/452382681.db2.gz FFYXMWAJQXWMHD-RCCFBDPRSA-N 2 1 330.476 1.189 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000638073563 452382692 /nfs/dbraw/zinc/38/26/92/452382692.db2.gz FFYXMWAJQXWMHD-RCCFBDPRSA-N 2 1 330.476 1.189 20 0 EDADMP COCC1(CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC[NH2+]CC1 ZINC000659543183 452400806 /nfs/dbraw/zinc/40/08/06/452400806.db2.gz TVLYVLIMAAUXKV-CQSZACIVSA-N 2 1 326.485 1.175 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000647679249 452413748 /nfs/dbraw/zinc/41/37/48/452413748.db2.gz UQWMHYUYTLSDGW-ZWKOTPCHSA-N 2 1 334.508 1.290 20 0 EDADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000647679249 452413753 /nfs/dbraw/zinc/41/37/53/452413753.db2.gz UQWMHYUYTLSDGW-ZWKOTPCHSA-N 2 1 334.508 1.290 20 0 EDADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000647679249 452413761 /nfs/dbraw/zinc/41/37/61/452413761.db2.gz UQWMHYUYTLSDGW-ZWKOTPCHSA-N 2 1 334.508 1.290 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000663680268 452417171 /nfs/dbraw/zinc/41/71/71/452417171.db2.gz DXNILOGINFWCCE-ULQDDVLXSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000663680268 452417173 /nfs/dbraw/zinc/41/71/73/452417173.db2.gz DXNILOGINFWCCE-ULQDDVLXSA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000663680268 452417176 /nfs/dbraw/zinc/41/71/76/452417176.db2.gz DXNILOGINFWCCE-ULQDDVLXSA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000663680268 452417178 /nfs/dbraw/zinc/41/71/78/452417178.db2.gz DXNILOGINFWCCE-ULQDDVLXSA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000663680268 452417180 /nfs/dbraw/zinc/41/71/80/452417180.db2.gz DXNILOGINFWCCE-ULQDDVLXSA-N 3 1 339.528 1.184 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000657650784 452419570 /nfs/dbraw/zinc/41/95/70/452419570.db2.gz WABPJXMWULSOME-CQSZACIVSA-N 2 1 329.404 1.182 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCCC2(C[NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC000652231425 452420694 /nfs/dbraw/zinc/42/06/94/452420694.db2.gz VYITUIGPQXUNDT-QGZVFWFLSA-N 2 1 330.476 1.684 20 0 EDADMP C[N@H+]1CCN(C(=O)NCCC2(C[NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC000652231425 452420701 /nfs/dbraw/zinc/42/07/01/452420701.db2.gz VYITUIGPQXUNDT-QGZVFWFLSA-N 2 1 330.476 1.684 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(c3cc(N4CCC(C)(O)CC4)ncn3)CC[C@H]21 ZINC000663720252 452457806 /nfs/dbraw/zinc/45/78/06/452457806.db2.gz HLJZEHVOTGBVNL-JKSUJKDBSA-N 2 1 345.491 1.748 20 0 EDADMP C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)[C@H]1C ZINC000659608285 452463315 /nfs/dbraw/zinc/46/33/15/452463315.db2.gz MAJFVJMUHIDFHK-CAOSSQGBSA-N 2 1 336.480 1.022 20 0 EDADMP O=C(NCC12CC(C1)C[NH2+]2)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000659613551 452472299 /nfs/dbraw/zinc/47/22/99/452472299.db2.gz ALMLJGBOAHOKFG-OYBTXZFASA-N 2 1 340.471 1.512 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000652289823 452473475 /nfs/dbraw/zinc/47/34/75/452473475.db2.gz GFPXEPGWTXQQSX-GJZGRUSLSA-N 2 1 334.464 1.003 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC(C)(C)CC[NH3+])C1 ZINC000659627219 452484059 /nfs/dbraw/zinc/48/40/59/452484059.db2.gz SRLOOHMDNMERFA-QGZVFWFLSA-N 2 1 347.507 1.229 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC(C)(C)CC[NH3+])C1 ZINC000659627219 452484070 /nfs/dbraw/zinc/48/40/70/452484070.db2.gz SRLOOHMDNMERFA-QGZVFWFLSA-N 2 1 347.507 1.229 20 0 EDADMP C[NH2+]C[C@](C)(O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000652338593 452508001 /nfs/dbraw/zinc/50/80/01/452508001.db2.gz CMAAUBDHLLBQCI-INIZCTEOSA-N 2 1 345.409 1.793 20 0 EDADMP CC[NH+]1CCN([C@H](C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655690062 452512742 /nfs/dbraw/zinc/51/27/42/452512742.db2.gz UDEJWWJUSBSORB-IEBWSBKVSA-N 3 1 338.540 1.245 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000663784020 452513310 /nfs/dbraw/zinc/51/33/10/452513310.db2.gz LAVSOSOYRVARST-RANZSIQMSA-N 2 1 346.475 1.138 20 0 EDADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652345371 452517393 /nfs/dbraw/zinc/51/73/93/452517393.db2.gz ANSHVKBQRQJVOC-HDMKZQKVSA-N 2 1 347.459 1.852 20 0 EDADMP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346649 452523493 /nfs/dbraw/zinc/52/34/93/452523493.db2.gz CQFQPHIFPSFBOJ-XDNAFOTISA-N 2 1 337.508 1.996 20 0 EDADMP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349356 452524806 /nfs/dbraw/zinc/52/48/06/452524806.db2.gz LWEDZPNPGFHJIW-VOAKCMCISA-N 2 1 337.386 1.272 20 0 EDADMP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349356 452524812 /nfs/dbraw/zinc/52/48/12/452524812.db2.gz LWEDZPNPGFHJIW-VOAKCMCISA-N 2 1 337.386 1.272 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000652351218 452528287 /nfs/dbraw/zinc/52/82/87/452528287.db2.gz NKYCAOWQRJECMY-UGSOOPFHSA-N 2 1 331.416 1.805 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652351796 452528697 /nfs/dbraw/zinc/52/86/97/452528697.db2.gz XXYZMIFWYRZLER-UWVAXJGDSA-N 2 1 345.487 1.939 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652351796 452528705 /nfs/dbraw/zinc/52/87/05/452528705.db2.gz XXYZMIFWYRZLER-UWVAXJGDSA-N 2 1 345.487 1.939 20 0 EDADMP CC(C)N(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C(C)C ZINC000652360186 452542220 /nfs/dbraw/zinc/54/22/20/452542220.db2.gz CGHMRMWXICGPSA-BRWVUGGUSA-N 2 1 325.497 1.993 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2nc(-c3ccccn3)no2)C1 ZINC000652362314 452543397 /nfs/dbraw/zinc/54/33/97/452543397.db2.gz DKKXGGHGLTZZEH-BMFZPTHFSA-N 2 1 343.431 1.992 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2nc(-c3ccccn3)no2)C1 ZINC000652362314 452543403 /nfs/dbraw/zinc/54/34/03/452543403.db2.gz DKKXGGHGLTZZEH-BMFZPTHFSA-N 2 1 343.431 1.992 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652362323 452543769 /nfs/dbraw/zinc/54/37/69/452543769.db2.gz DLVQJPFMUZFLKK-XHSDSOJGSA-N 2 1 349.479 1.336 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652362323 452543777 /nfs/dbraw/zinc/54/37/77/452543777.db2.gz DLVQJPFMUZFLKK-XHSDSOJGSA-N 2 1 349.479 1.336 20 0 EDADMP CS(=O)(=O)CC1(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652364050 452544412 /nfs/dbraw/zinc/54/44/12/452544412.db2.gz VZMHWEIKAYCSCJ-KFWWJZLASA-N 2 1 330.494 1.172 20 0 EDADMP OCC[N@@H+]1CCCC[C@H]1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772487 452570178 /nfs/dbraw/zinc/57/01/78/452570178.db2.gz XEBZFSARIPKQDR-ZWKOTPCHSA-N 2 1 325.497 1.066 20 0 EDADMP OCC[N@H+]1CCCC[C@H]1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772487 452570184 /nfs/dbraw/zinc/57/01/84/452570184.db2.gz XEBZFSARIPKQDR-ZWKOTPCHSA-N 2 1 325.497 1.066 20 0 EDADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834890 452570420 /nfs/dbraw/zinc/57/04/20/452570420.db2.gz DISLIUWUOLTEKJ-GFCCVEGCSA-N 2 1 326.391 1.129 20 0 EDADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834890 452570430 /nfs/dbraw/zinc/57/04/30/452570430.db2.gz DISLIUWUOLTEKJ-GFCCVEGCSA-N 2 1 326.391 1.129 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659699176 452584567 /nfs/dbraw/zinc/58/45/67/452584567.db2.gz QXBTXVGJBRIZCW-OAHLLOKOSA-N 2 1 338.496 1.002 20 0 EDADMP O=C(C[N@H+]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1)N1CCCC1 ZINC000647854502 452587245 /nfs/dbraw/zinc/58/72/45/452587245.db2.gz UCVVOEUNWCWJNS-UHFFFAOYSA-N 2 1 327.432 1.697 20 0 EDADMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647881606 452620825 /nfs/dbraw/zinc/62/08/25/452620825.db2.gz RVHHXOBXWFQOOG-NVXWUHKLSA-N 2 1 325.497 1.629 20 0 EDADMP C[N@@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000647881161 452621223 /nfs/dbraw/zinc/62/12/23/452621223.db2.gz IKGYEFZLHJVHGN-QWHCGFSZSA-N 2 1 332.366 1.986 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000663982807 452688548 /nfs/dbraw/zinc/68/85/48/452688548.db2.gz NZIKTUNGMWMADU-INIZCTEOSA-N 3 1 341.544 1.290 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000663982807 452688557 /nfs/dbraw/zinc/68/85/57/452688557.db2.gz NZIKTUNGMWMADU-INIZCTEOSA-N 3 1 341.544 1.290 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C[C@@H]1Cc1ccccc1 ZINC000655927842 452696201 /nfs/dbraw/zinc/69/62/01/452696201.db2.gz IWBVKJVXBLQREI-KBPBESRZSA-N 2 1 344.381 1.444 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C[C@@H]1Cc1ccccc1 ZINC000655927842 452696208 /nfs/dbraw/zinc/69/62/08/452696208.db2.gz IWBVKJVXBLQREI-KBPBESRZSA-N 2 1 344.381 1.444 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1cccc(CO)c1 ZINC000664005051 452705359 /nfs/dbraw/zinc/70/53/59/452705359.db2.gz BCLYMORWMZBGNH-HNNXBMFYSA-N 2 1 336.480 1.250 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1cccc(CO)c1 ZINC000664005051 452705368 /nfs/dbraw/zinc/70/53/68/452705368.db2.gz BCLYMORWMZBGNH-HNNXBMFYSA-N 2 1 336.480 1.250 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)nn3)C[C@H]21 ZINC000655937649 452705851 /nfs/dbraw/zinc/70/58/51/452705851.db2.gz DSGBGZXZHVXFDS-CYZMBNFOSA-N 2 1 330.354 1.977 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)nn3)C[C@H]21 ZINC000655937649 452705864 /nfs/dbraw/zinc/70/58/64/452705864.db2.gz DSGBGZXZHVXFDS-CYZMBNFOSA-N 2 1 330.354 1.977 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cn1 ZINC000655940537 452710492 /nfs/dbraw/zinc/71/04/92/452710492.db2.gz UCMWYWZZEWECOP-SJORKVTESA-N 2 1 329.448 1.110 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cn1 ZINC000655940537 452710500 /nfs/dbraw/zinc/71/05/00/452710500.db2.gz UCMWYWZZEWECOP-SJORKVTESA-N 2 1 329.448 1.110 20 0 EDADMP C(c1nnnn1CC1CCOCC1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978698 452722683 /nfs/dbraw/zinc/72/26/83/452722683.db2.gz WWTXZFLHCBOHNW-DLBZAZTESA-N 2 1 348.495 1.311 20 0 EDADMP C(c1nnnn1CC1CCOCC1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978698 452722687 /nfs/dbraw/zinc/72/26/87/452722687.db2.gz WWTXZFLHCBOHNW-DLBZAZTESA-N 2 1 348.495 1.311 20 0 EDADMP c1ccc(-n2nnnc2CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977635 452724477 /nfs/dbraw/zinc/72/44/77/452724477.db2.gz FNYWVXKSJIXVSR-IRXDYDNUSA-N 2 1 340.475 1.916 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658126769 452740164 /nfs/dbraw/zinc/74/01/64/452740164.db2.gz ZLDFHXCARRXQDV-INIZCTEOSA-N 2 1 346.475 1.676 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655959577 452741037 /nfs/dbraw/zinc/74/10/37/452741037.db2.gz UUFRTINCQNIFEY-IRXDYDNUSA-N 2 1 344.459 1.478 20 0 EDADMP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658139676 452748654 /nfs/dbraw/zinc/74/86/54/452748654.db2.gz QXFXBPQCRPZTAU-WMLDXEAASA-N 2 1 340.489 1.166 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)CC[N@H+]1C ZINC000658288935 452831365 /nfs/dbraw/zinc/83/13/65/452831365.db2.gz HRFDUUUJEXWEQY-YZGWKJHDSA-N 2 1 347.503 1.322 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654728966 452842968 /nfs/dbraw/zinc/84/29/68/452842968.db2.gz BRHHBASIIJNAAV-HOTGVXAUSA-N 2 1 338.496 1.101 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000652698647 452846795 /nfs/dbraw/zinc/84/67/95/452846795.db2.gz HLAYHLMZNLJSLE-MRXNPFEDSA-N 2 1 340.512 1.104 20 0 EDADMP CC(C)c1nc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc(N(C)C)n1 ZINC000664196755 452869136 /nfs/dbraw/zinc/86/91/36/452869136.db2.gz NMYILUCQOQHTNI-AWEZNQCLSA-N 2 1 337.516 1.745 20 0 EDADMP CC(C)c1nc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc(N(C)C)n1 ZINC000664196755 452869142 /nfs/dbraw/zinc/86/91/42/452869142.db2.gz NMYILUCQOQHTNI-AWEZNQCLSA-N 2 1 337.516 1.745 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648159972 452869436 /nfs/dbraw/zinc/86/94/36/452869436.db2.gz FNUQKUAGCPORKX-ZDUSSCGKSA-N 2 1 333.423 1.048 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000662138676 452871570 /nfs/dbraw/zinc/87/15/70/452871570.db2.gz FGERDSZGHMWWHI-GOSISDBHSA-N 2 1 328.460 1.751 20 0 EDADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000659983100 452892529 /nfs/dbraw/zinc/89/25/29/452892529.db2.gz DLEARKUEUCXGAX-UHFFFAOYSA-N 2 1 339.505 1.901 20 0 EDADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000659983100 452892537 /nfs/dbraw/zinc/89/25/37/452892537.db2.gz DLEARKUEUCXGAX-UHFFFAOYSA-N 2 1 339.505 1.901 20 0 EDADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc4oc(=O)[nH]c43)C2)CC1 ZINC000654775598 452907650 /nfs/dbraw/zinc/90/76/50/452907650.db2.gz QNRRUWMQOPKSLI-LBPRGKRZSA-N 2 1 344.415 1.432 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cccc4oc(=O)[nH]c43)C2)CC1 ZINC000654775598 452907662 /nfs/dbraw/zinc/90/76/62/452907662.db2.gz QNRRUWMQOPKSLI-LBPRGKRZSA-N 2 1 344.415 1.432 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000652812404 452968918 /nfs/dbraw/zinc/96/89/18/452968918.db2.gz IQXBBDDWWZIMDC-IPMKNSEASA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000652812404 452968926 /nfs/dbraw/zinc/96/89/26/452968926.db2.gz IQXBBDDWWZIMDC-IPMKNSEASA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000652812404 452968931 /nfs/dbraw/zinc/96/89/31/452968931.db2.gz IQXBBDDWWZIMDC-IPMKNSEASA-N 2 1 343.471 1.440 20 0 EDADMP CSc1ccccc1NC(=O)C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250121 452975165 /nfs/dbraw/zinc/97/51/65/452975165.db2.gz YJVPKTQWXOXUEU-CYBMUJFWSA-N 2 1 335.473 1.800 20 0 EDADMP CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250121 452975172 /nfs/dbraw/zinc/97/51/72/452975172.db2.gz YJVPKTQWXOXUEU-CYBMUJFWSA-N 2 1 335.473 1.800 20 0 EDADMP COc1ccc(CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1F ZINC000662258132 452985128 /nfs/dbraw/zinc/98/51/28/452985128.db2.gz IKNLBLLQYJBCIP-INIZCTEOSA-N 2 1 349.450 1.473 20 0 EDADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)nc1 ZINC000662259787 452988461 /nfs/dbraw/zinc/98/84/61/452988461.db2.gz BHZTUCBMDBXPGA-HZPDHXFCSA-N 2 1 344.459 1.562 20 0 EDADMP C[C@@H](Cc1ccncc1)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664329043 453002310 /nfs/dbraw/zinc/00/23/10/453002310.db2.gz USGSCYQMOVFNSO-HOTGVXAUSA-N 2 1 335.496 1.584 20 0 EDADMP C[C@@H](Cc1ccncc1)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664329043 453002322 /nfs/dbraw/zinc/00/23/22/453002322.db2.gz USGSCYQMOVFNSO-HOTGVXAUSA-N 2 1 335.496 1.584 20 0 EDADMP O=c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc2sccn21 ZINC000662294268 453016260 /nfs/dbraw/zinc/01/62/60/453016260.db2.gz JZGISBRKYCUYLO-AWEZNQCLSA-N 2 1 332.473 1.968 20 0 EDADMP O=C1[C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000662299265 453021946 /nfs/dbraw/zinc/02/19/46/453021946.db2.gz WNISAOMNWMBCEY-OIISXLGYSA-N 2 1 327.428 1.103 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[C@@H](F)[C@H]([NH3+])C3)CC2)c1 ZINC000662325589 453042824 /nfs/dbraw/zinc/04/28/24/453042824.db2.gz MQNKGRRMLLWKHR-QZTJIDSGSA-N 2 1 348.466 1.010 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)ncn1 ZINC000662336746 453052731 /nfs/dbraw/zinc/05/27/31/453052731.db2.gz GIKZTRBKJNCKFD-OAHLLOKOSA-N 2 1 341.463 1.297 20 0 EDADMP Cc1nocc1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337899 453055009 /nfs/dbraw/zinc/05/50/09/453055009.db2.gz NMYCSTSLWCCXAO-CQSZACIVSA-N 2 1 330.436 1.495 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662341509 453059044 /nfs/dbraw/zinc/05/90/44/453059044.db2.gz QRFYENUTEOSHTR-JKSUJKDBSA-N 2 1 339.443 1.491 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000664406101 453067861 /nfs/dbraw/zinc/06/78/61/453067861.db2.gz POYVJWJNDMDNDY-HLLBOEOZSA-N 3 1 339.528 1.040 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000664406101 453067866 /nfs/dbraw/zinc/06/78/66/453067866.db2.gz POYVJWJNDMDNDY-HLLBOEOZSA-N 3 1 339.528 1.040 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000664406101 453067873 /nfs/dbraw/zinc/06/78/73/453067873.db2.gz POYVJWJNDMDNDY-HLLBOEOZSA-N 3 1 339.528 1.040 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000664406101 453067892 /nfs/dbraw/zinc/06/78/92/453067892.db2.gz POYVJWJNDMDNDY-HLLBOEOZSA-N 3 1 339.528 1.040 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662387153 453096773 /nfs/dbraw/zinc/09/67/73/453096773.db2.gz BWSQRMWQRJDRQL-GJZGRUSLSA-N 2 1 333.480 1.871 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000660216313 453137759 /nfs/dbraw/zinc/13/77/59/453137759.db2.gz RDXBPVRWSSZZMN-CQSZACIVSA-N 2 1 326.485 1.269 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662454537 453162914 /nfs/dbraw/zinc/16/29/14/453162914.db2.gz BTABSCQDTDBBQB-IAGOWNOFSA-N 2 1 330.476 1.041 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](Cn2cc(-c3cccc(C[NH3+])c3)nn2)C1 ZINC000656449055 453190817 /nfs/dbraw/zinc/19/08/17/453190817.db2.gz XDSHFJYKWSJTBT-QGZVFWFLSA-N 2 1 329.448 1.761 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1 ZINC000655094762 453214869 /nfs/dbraw/zinc/21/48/69/453214869.db2.gz YYTDKQUSEKJVHT-ROUUACIJSA-N 2 1 333.476 1.665 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000666906455 453228215 /nfs/dbraw/zinc/22/82/15/453228215.db2.gz DUKLFCYWPHNZOK-WBVHZDCISA-N 2 1 346.475 1.762 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)[C@H]1c1ccc(Cl)cc1 ZINC000662512501 453231190 /nfs/dbraw/zinc/23/11/90/453231190.db2.gz QJBHCOQRISGWRT-UKRRQHHQSA-N 2 1 348.838 1.065 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)[C@H]1c1ccc(Cl)cc1 ZINC000662512501 453231195 /nfs/dbraw/zinc/23/11/95/453231195.db2.gz QJBHCOQRISGWRT-UKRRQHHQSA-N 2 1 348.838 1.065 20 0 EDADMP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662517491 453234905 /nfs/dbraw/zinc/23/49/05/453234905.db2.gz BXFDHORIMZTGFC-LLVKDONJSA-N 2 1 346.460 1.662 20 0 EDADMP C[C@H](NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1=CC[N@@H+](C)CC1 ZINC000664628269 453265847 /nfs/dbraw/zinc/26/58/47/453265847.db2.gz GPGZHVHWOQBASZ-RDJZCZTQSA-N 2 1 338.496 1.389 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000648807888 453292466 /nfs/dbraw/zinc/29/24/66/453292466.db2.gz YCAFLURQXACNMA-HNNXBMFYSA-N 2 1 334.464 1.720 20 0 EDADMP CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000653111131 453297662 /nfs/dbraw/zinc/29/76/62/453297662.db2.gz FMHRSEHFJYLELV-ROUUACIJSA-N 3 1 332.492 1.388 20 0 EDADMP CCN(C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000666978711 453298673 /nfs/dbraw/zinc/29/86/73/453298673.db2.gz BYYHMCVQRCWZDC-SJORKVTESA-N 2 1 338.496 1.365 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000653112854 453300406 /nfs/dbraw/zinc/30/04/06/453300406.db2.gz LEGGVYNAKNUQKL-MSOLQXFVSA-N 2 1 332.492 1.294 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000653125038 453319230 /nfs/dbraw/zinc/31/92/30/453319230.db2.gz RDWGNPSGSNUSDC-ZWKOTPCHSA-N 2 1 344.503 1.703 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000648843535 453323686 /nfs/dbraw/zinc/32/36/86/453323686.db2.gz NYOZLADJFRMVBG-SJLPKXTDSA-N 2 1 336.524 1.344 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000648843535 453323692 /nfs/dbraw/zinc/32/36/92/453323692.db2.gz NYOZLADJFRMVBG-SJLPKXTDSA-N 2 1 336.524 1.344 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000648843535 453323697 /nfs/dbraw/zinc/32/36/97/453323697.db2.gz NYOZLADJFRMVBG-SJLPKXTDSA-N 2 1 336.524 1.344 20 0 EDADMP CN1CC(=O)N(CC[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)C1=O ZINC000660481119 453337533 /nfs/dbraw/zinc/33/75/33/453337533.db2.gz IZTIEVSXTSYOBI-AWEZNQCLSA-N 2 1 345.447 1.293 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646384617 453358061 /nfs/dbraw/zinc/35/80/61/453358061.db2.gz LQJCZSIWFZUJLO-KFWWJZLASA-N 2 1 331.464 1.338 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000662660188 453373840 /nfs/dbraw/zinc/37/38/40/453373840.db2.gz ZNZIFRQPRUEGMO-RTBURBONSA-N 2 1 345.487 1.530 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c1 ZINC000646444115 453388371 /nfs/dbraw/zinc/38/83/71/453388371.db2.gz KJQIEDRJFDCIFX-ROUUACIJSA-N 2 1 331.460 1.683 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662675934 453394650 /nfs/dbraw/zinc/39/46/50/453394650.db2.gz QYTKRASMUCJPBU-AYOQOUSVSA-N 2 1 345.487 1.899 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000660559642 453402544 /nfs/dbraw/zinc/40/25/44/453402544.db2.gz AUNWOPVWTUACEC-RTBURBONSA-N 2 1 338.467 1.754 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000660559642 453402555 /nfs/dbraw/zinc/40/25/55/453402555.db2.gz AUNWOPVWTUACEC-RTBURBONSA-N 2 1 338.467 1.754 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000660559642 453402562 /nfs/dbraw/zinc/40/25/62/453402562.db2.gz AUNWOPVWTUACEC-RTBURBONSA-N 2 1 338.467 1.754 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000660559642 453402571 /nfs/dbraw/zinc/40/25/71/453402571.db2.gz AUNWOPVWTUACEC-RTBURBONSA-N 2 1 338.467 1.754 20 0 EDADMP [NH3+][C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1F ZINC000662754646 453492470 /nfs/dbraw/zinc/49/24/70/453492470.db2.gz SPDJFUZETWGMOM-MRXNPFEDSA-N 2 1 332.354 1.708 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000662756581 453493678 /nfs/dbraw/zinc/49/36/78/453493678.db2.gz IUGQISCIJZVWHO-AEFFLSMTSA-N 2 1 344.503 1.701 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000662757703 453496249 /nfs/dbraw/zinc/49/62/49/453496249.db2.gz LPYKAAKVVXEHBY-KZNAEPCWSA-N 2 1 330.476 1.219 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000662757703 453496258 /nfs/dbraw/zinc/49/62/58/453496258.db2.gz LPYKAAKVVXEHBY-KZNAEPCWSA-N 2 1 330.476 1.219 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000662757703 453496269 /nfs/dbraw/zinc/49/62/69/453496269.db2.gz LPYKAAKVVXEHBY-KZNAEPCWSA-N 2 1 330.476 1.219 20 0 EDADMP C[NH+]1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)CC1 ZINC000646600837 453504978 /nfs/dbraw/zinc/50/49/78/453504978.db2.gz NFVRRTZDWBCHBI-UHFFFAOYSA-N 2 1 326.444 1.980 20 0 EDADMP C[NH+]1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)CC1 ZINC000646600837 453504982 /nfs/dbraw/zinc/50/49/82/453504982.db2.gz NFVRRTZDWBCHBI-UHFFFAOYSA-N 2 1 326.444 1.980 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655444919 453532137 /nfs/dbraw/zinc/53/21/37/453532137.db2.gz XMMIEADSJXQPSQ-ICSRJNTNSA-N 2 1 327.472 1.941 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1CCC[NH2+]C1 ZINC000646664119 453549226 /nfs/dbraw/zinc/54/92/26/453549226.db2.gz YHYDMOXZUQLCDO-RYQLBKOJSA-N 2 1 330.476 1.798 20 0 EDADMP CC[N@H+]1CCCN(C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000667328926 453562960 /nfs/dbraw/zinc/56/29/60/453562960.db2.gz XDDFQZSTBOBCLF-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP CC[NH+]1CCCN(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000667328926 453562963 /nfs/dbraw/zinc/56/29/63/453562963.db2.gz XDDFQZSTBOBCLF-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP CC[NH+]1CCCN(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000667328926 453562967 /nfs/dbraw/zinc/56/29/67/453562967.db2.gz XDDFQZSTBOBCLF-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP CC[N@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000660786244 453573749 /nfs/dbraw/zinc/57/37/49/453573749.db2.gz IUPNKPBSMBVWFE-PKOBYXMFSA-N 2 1 346.519 1.822 20 0 EDADMP O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662859802 453575035 /nfs/dbraw/zinc/57/50/35/453575035.db2.gz OTVLUWSVSMTHOR-ROUUACIJSA-N 2 1 331.460 1.402 20 0 EDADMP CN(C(=O)c1cccc2c1C[NH2+]C2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900169 453593806 /nfs/dbraw/zinc/59/38/06/453593806.db2.gz JRAATRFBDDDIBD-QGZVFWFLSA-N 2 1 342.487 1.530 20 0 EDADMP CN(C(=O)c1cccc2c1C[NH2+]C2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900169 453593808 /nfs/dbraw/zinc/59/38/08/453593808.db2.gz JRAATRFBDDDIBD-QGZVFWFLSA-N 2 1 342.487 1.530 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659041696 453595438 /nfs/dbraw/zinc/59/54/38/453595438.db2.gz KTVRRCIXPZWGEG-DLBZAZTESA-N 2 1 332.448 1.905 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659044988 453597574 /nfs/dbraw/zinc/59/75/74/453597574.db2.gz UBPLKZUJIHBFSE-DLBZAZTESA-N 2 1 332.448 1.905 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659044991 453598099 /nfs/dbraw/zinc/59/80/99/453598099.db2.gz UBPLKZUJIHBFSE-IAGOWNOFSA-N 2 1 332.448 1.905 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000660847048 453604146 /nfs/dbraw/zinc/60/41/46/453604146.db2.gz MMGYOFXIPJQSKK-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000660847048 453604149 /nfs/dbraw/zinc/60/41/49/453604149.db2.gz MMGYOFXIPJQSKK-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000660847048 453604152 /nfs/dbraw/zinc/60/41/52/453604152.db2.gz MMGYOFXIPJQSKK-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NCC34CC(C3)C[NH2+]4)CC2)cs1 ZINC000662923281 453607022 /nfs/dbraw/zinc/60/70/22/453607022.db2.gz SUPPNZMCTLPLAE-UHFFFAOYSA-N 2 1 334.489 1.532 20 0 EDADMP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000665240854 453620605 /nfs/dbraw/zinc/62/06/05/453620605.db2.gz ULJGFERAHQFCSK-AYOQOUSVSA-N 2 1 333.476 1.110 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662972690 453631003 /nfs/dbraw/zinc/63/10/03/453631003.db2.gz QVOGDXPLIJSEHC-SFHVURJKSA-N 2 1 331.460 1.933 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@H]1CCCCO1 ZINC000665270315 453631241 /nfs/dbraw/zinc/63/12/41/453631241.db2.gz VXEFVDKPIGMPLD-YESZJQIVSA-N 2 1 342.528 1.905 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@H]1CCCCO1 ZINC000665270315 453631244 /nfs/dbraw/zinc/63/12/44/453631244.db2.gz VXEFVDKPIGMPLD-YESZJQIVSA-N 2 1 342.528 1.905 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000665290847 453638373 /nfs/dbraw/zinc/63/83/73/453638373.db2.gz MNODMQNJUMISEZ-HIFRSBDPSA-N 2 1 327.432 1.566 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000660934326 453652667 /nfs/dbraw/zinc/65/26/67/453652667.db2.gz PORHNKFPXQUIKK-UAGQMJEPSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000660934326 453652671 /nfs/dbraw/zinc/65/26/71/453652671.db2.gz PORHNKFPXQUIKK-UAGQMJEPSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000660934326 453652675 /nfs/dbraw/zinc/65/26/75/453652675.db2.gz PORHNKFPXQUIKK-UAGQMJEPSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000660934326 453652679 /nfs/dbraw/zinc/65/26/79/453652679.db2.gz PORHNKFPXQUIKK-UAGQMJEPSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659309859 453710553 /nfs/dbraw/zinc/71/05/53/453710553.db2.gz ZQCIUCPUKHWOTH-APPZFPTMSA-N 2 1 344.278 1.842 20 0 EDADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659309733 453710885 /nfs/dbraw/zinc/71/08/85/453710885.db2.gz NIBQUNQDGUUQIH-JKSUJKDBSA-N 2 1 325.416 1.128 20 0 EDADMP COCc1csc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000657349474 453771021 /nfs/dbraw/zinc/77/10/21/453771021.db2.gz IGBVBOBGYZQOSM-AWEZNQCLSA-N 2 1 325.478 1.572 20 0 EDADMP COCc1csc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000657349474 453771022 /nfs/dbraw/zinc/77/10/22/453771022.db2.gz IGBVBOBGYZQOSM-AWEZNQCLSA-N 2 1 325.478 1.572 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000663444590 453800899 /nfs/dbraw/zinc/80/08/99/453800899.db2.gz CNSJIQHRYSWWDP-INIZCTEOSA-N 3 1 341.544 1.430 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000663444590 453800901 /nfs/dbraw/zinc/80/09/01/453800901.db2.gz CNSJIQHRYSWWDP-INIZCTEOSA-N 3 1 341.544 1.430 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000661397952 453809019 /nfs/dbraw/zinc/80/90/19/453809019.db2.gz SATYVSYMFGPGHP-INIZCTEOSA-N 2 1 331.464 1.786 20 0 EDADMP CC(C)(C)c1nc(CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)no1 ZINC000662265900 486657132 /nfs/dbraw/zinc/65/71/32/486657132.db2.gz WRXVJZZJDHYTFK-CQSZACIVSA-N 2 1 349.479 1.006 20 0 EDADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000676246661 486706326 /nfs/dbraw/zinc/70/63/26/486706326.db2.gz YJTIWVBFFMIFLK-QEOTZNIISA-N 2 1 340.512 1.371 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000676246661 486706329 /nfs/dbraw/zinc/70/63/29/486706329.db2.gz YJTIWVBFFMIFLK-QEOTZNIISA-N 2 1 340.512 1.371 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676246661 486706333 /nfs/dbraw/zinc/70/63/33/486706333.db2.gz YJTIWVBFFMIFLK-QEOTZNIISA-N 2 1 340.512 1.371 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246661 486706336 /nfs/dbraw/zinc/70/63/36/486706336.db2.gz YJTIWVBFFMIFLK-QEOTZNIISA-N 2 1 340.512 1.371 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000676246094 486706549 /nfs/dbraw/zinc/70/65/49/486706549.db2.gz QROUWSOHXYLFAT-LVQVYYBASA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000676246094 486706550 /nfs/dbraw/zinc/70/65/50/486706550.db2.gz QROUWSOHXYLFAT-LVQVYYBASA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000676246094 486706551 /nfs/dbraw/zinc/70/65/51/486706551.db2.gz QROUWSOHXYLFAT-LVQVYYBASA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000676246094 486706552 /nfs/dbraw/zinc/70/65/52/486706552.db2.gz QROUWSOHXYLFAT-LVQVYYBASA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676308780 486729458 /nfs/dbraw/zinc/72/94/58/486729458.db2.gz YEYBUVABPOTWAM-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676308780 486729459 /nfs/dbraw/zinc/72/94/59/486729459.db2.gz YEYBUVABPOTWAM-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](CCNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCCC1 ZINC000680292839 486741816 /nfs/dbraw/zinc/74/18/16/486741816.db2.gz WOWPGCRMLRVWPB-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](CCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCCC1 ZINC000680292839 486741821 /nfs/dbraw/zinc/74/18/21/486741821.db2.gz WOWPGCRMLRVWPB-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673177775 486936589 /nfs/dbraw/zinc/93/65/89/486936589.db2.gz DJNNJMLOVAIOFT-KRWDZBQOSA-N 2 1 331.464 1.788 20 0 EDADMP C[C@@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1C[N@H+](C)CCO1 ZINC000667833654 486985638 /nfs/dbraw/zinc/98/56/38/486985638.db2.gz PEKJVRAOPYGVCS-IAQYHMDHSA-N 2 1 336.411 1.312 20 0 EDADMP C[C@@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1C[N@@H+](C)CCO1 ZINC000667833654 486985642 /nfs/dbraw/zinc/98/56/42/486985642.db2.gz PEKJVRAOPYGVCS-IAQYHMDHSA-N 2 1 336.411 1.312 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000667837787 486986745 /nfs/dbraw/zinc/98/67/45/486986745.db2.gz HGRUARJOWREEBN-MRXNPFEDSA-N 2 1 330.432 1.774 20 0 EDADMP CN(c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1)S(C)(=O)=O ZINC000677242016 487019101 /nfs/dbraw/zinc/01/91/01/487019101.db2.gz WDERPLGREBPQAS-WBVHZDCISA-N 2 1 337.489 1.799 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)CC1 ZINC000673670587 487085728 /nfs/dbraw/zinc/08/57/28/487085728.db2.gz GNNJHUWZZAMONP-SFHVURJKSA-N 2 1 344.503 1.458 20 0 EDADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000677484672 487099398 /nfs/dbraw/zinc/09/93/98/487099398.db2.gz OCPLNBHWBIKLCO-GOSISDBHSA-N 3 1 347.507 1.308 20 0 EDADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000677484672 487099402 /nfs/dbraw/zinc/09/94/02/487099402.db2.gz OCPLNBHWBIKLCO-GOSISDBHSA-N 3 1 347.507 1.308 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673862906 487138387 /nfs/dbraw/zinc/13/83/87/487138387.db2.gz ITTKLNMGVUSLNH-UHFFFAOYSA-N 2 1 332.408 1.357 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCSC1 ZINC000677859914 487184327 /nfs/dbraw/zinc/18/43/27/487184327.db2.gz IXVAWCNQZACVCX-HOTGVXAUSA-N 2 1 341.521 1.137 20 0 EDADMP C[NH+](CC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1)[C@H]1CCSC1 ZINC000677859914 487184332 /nfs/dbraw/zinc/18/43/32/487184332.db2.gz IXVAWCNQZACVCX-HOTGVXAUSA-N 2 1 341.521 1.137 20 0 EDADMP C[NH+](CC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)[C@H]1CCSC1 ZINC000677859914 487184335 /nfs/dbraw/zinc/18/43/35/487184335.db2.gz IXVAWCNQZACVCX-HOTGVXAUSA-N 2 1 341.521 1.137 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000678296981 487284174 /nfs/dbraw/zinc/28/41/74/487284174.db2.gz CFBVORVBZQGZDI-HDICACEKSA-N 2 1 333.476 1.146 20 0 EDADMP Cn1nnnc1CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000678546158 487330849 /nfs/dbraw/zinc/33/08/49/487330849.db2.gz DMCZFBBWOOHAKI-UHFFFAOYSA-N 2 1 332.427 1.188 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)CC1 ZINC000678635075 487345927 /nfs/dbraw/zinc/34/59/27/487345927.db2.gz BHGCKBZQQZZOIY-DLBZAZTESA-N 2 1 337.508 1.726 20 0 EDADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)CN1CC[NH+](C)CC1)[NH+](C)C ZINC000682366559 487354796 /nfs/dbraw/zinc/35/47/96/487354796.db2.gz NHAOWMICJNTJFU-LPHOPBHVSA-N 2 1 332.492 1.350 20 0 EDADMP CC(C)c1cnc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000675233561 487392119 /nfs/dbraw/zinc/39/21/19/487392119.db2.gz WUDXNMLTVZPZIW-CABCVRRESA-N 2 1 334.464 1.925 20 0 EDADMP CCN1C(=O)[C@@H]2C[N@H+](Cc3c(C)nc4ccccn43)CCN2C1=O ZINC000675248293 487392703 /nfs/dbraw/zinc/39/27/03/487392703.db2.gz JTJWLSFDBQRXIB-AWEZNQCLSA-N 2 1 327.388 1.111 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000675820988 487447597 /nfs/dbraw/zinc/44/75/97/487447597.db2.gz BOBWAPKLUCAALT-UHFFFAOYSA-N 2 1 348.491 1.501 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000676048834 487468737 /nfs/dbraw/zinc/46/87/37/487468737.db2.gz VQLLQTPMPHSGIU-YESZJQIVSA-N 2 1 338.496 1.148 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000669529963 485504755 /nfs/dbraw/zinc/50/47/55/485504755.db2.gz LKFGAVPDXJXCCU-IRXDYDNUSA-N 2 1 331.464 1.612 20 0 EDADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669556098 485559001 /nfs/dbraw/zinc/55/90/01/485559001.db2.gz HBTVYHMAPXEGOA-MSOLQXFVSA-N 2 1 346.475 1.195 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000669578661 485623019 /nfs/dbraw/zinc/62/30/19/485623019.db2.gz WNVRDWDPDQKGDL-BHYGNILZSA-N 2 1 338.496 1.541 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccsc2)[N@H+](C)C1 ZINC000458232806 485665747 /nfs/dbraw/zinc/66/57/47/485665747.db2.gz XIBNTALTSKENJA-GJZGRUSLSA-N 2 1 325.478 1.357 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccsc2)[N@@H+](C)C1 ZINC000458232806 485665754 /nfs/dbraw/zinc/66/57/54/485665754.db2.gz XIBNTALTSKENJA-GJZGRUSLSA-N 2 1 325.478 1.357 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](OC)C1CCC1 ZINC000667812295 486089897 /nfs/dbraw/zinc/08/98/97/486089897.db2.gz IVGVTALTLZIKEX-IRXDYDNUSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000669418539 486137980 /nfs/dbraw/zinc/13/79/80/486137980.db2.gz PFUOSFCBNQNICK-YJBOKZPZSA-N 2 1 330.476 1.875 20 0 EDADMP O=C(NCC[NH2+]C1CC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000669459189 486213646 /nfs/dbraw/zinc/21/36/46/486213646.db2.gz KLYGVHATRQUZLR-KRWDZBQOSA-N 2 1 330.476 1.602 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000669482028 486244889 /nfs/dbraw/zinc/24/48/89/486244889.db2.gz OOQZSBLNETYMBL-BXUZGUMPSA-N 2 1 344.381 1.926 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000382653033 486646766 /nfs/dbraw/zinc/64/67/66/486646766.db2.gz BYEGJNSHFODILV-PKOBYXMFSA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000382653033 486646768 /nfs/dbraw/zinc/64/67/68/486646768.db2.gz BYEGJNSHFODILV-PKOBYXMFSA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000382653033 486646772 /nfs/dbraw/zinc/64/67/72/486646772.db2.gz BYEGJNSHFODILV-PKOBYXMFSA-N 2 1 335.492 1.132 20 0 EDADMP C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000133196005 491220091 /nfs/dbraw/zinc/22/00/91/491220091.db2.gz RAGQCGDMNNEKSH-RHSMWYFYSA-N 2 1 334.464 1.267 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)c1 ZINC000279051683 491240587 /nfs/dbraw/zinc/24/05/87/491240587.db2.gz PIWSOLVTDIUIJR-MRXNPFEDSA-N 2 1 330.432 1.366 20 0 EDADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCCOC2)c1 ZINC000125040871 491006939 /nfs/dbraw/zinc/00/69/39/491006939.db2.gz XMTNHUFCDONAJY-SFHVURJKSA-N 2 1 347.459 1.616 20 0 EDADMP CC(C)Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000346665613 534897117 /nfs/dbraw/zinc/89/71/17/534897117.db2.gz DCTHQOWADCOJCC-FUHWJXTLSA-N 2 1 347.507 1.619 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC2CCCC2)C1 ZINC000069227695 535110624 /nfs/dbraw/zinc/11/06/24/535110624.db2.gz HDEVTXCSVBBZGS-KRWDZBQOSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CC2CCCC2)C1 ZINC000069227695 535110629 /nfs/dbraw/zinc/11/06/29/535110629.db2.gz HDEVTXCSVBBZGS-KRWDZBQOSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CC2CCCC2)C1 ZINC000069227695 535110631 /nfs/dbraw/zinc/11/06/31/535110631.db2.gz HDEVTXCSVBBZGS-KRWDZBQOSA-N 2 1 325.497 1.581 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](c2nc(C[C@@H](C)[NH2+]C)no2)CC1=O ZINC000261902957 535551227 /nfs/dbraw/zinc/55/12/27/535551227.db2.gz YTDZVUFHKILHFW-HZSPNIEDSA-N 2 1 335.452 1.020 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](c2nc([C@H]([NH3+])CC(C)C)no2)CC1=O ZINC000339389072 535551828 /nfs/dbraw/zinc/55/18/28/535551828.db2.gz MKIMCYVAIJBANJ-RRFJBIMHSA-N 2 1 349.479 1.916 20 0 EDADMP CCN1CC[NH+](CCC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000261653755 535684896 /nfs/dbraw/zinc/68/48/96/535684896.db2.gz DMDDFFXCHABMQF-UHFFFAOYSA-N 2 1 334.439 1.438 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000262640833 535692434 /nfs/dbraw/zinc/69/24/34/535692434.db2.gz KPZFINNTMXFIHI-GOSISDBHSA-N 2 1 332.492 1.090 20 0 EDADMP CC[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000249073679 535843183 /nfs/dbraw/zinc/84/31/83/535843183.db2.gz QTDRHFROQKFNEO-LMSBXDPUSA-N 2 1 333.476 1.766 20 0 EDADMP CC[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000249073679 535843189 /nfs/dbraw/zinc/84/31/89/535843189.db2.gz QTDRHFROQKFNEO-LMSBXDPUSA-N 2 1 333.476 1.766 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000333280065 535875379 /nfs/dbraw/zinc/87/53/79/535875379.db2.gz HLEOZYWEBVVNER-UAGQMJEPSA-N 2 1 343.475 1.988 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000262634481 536771670 /nfs/dbraw/zinc/77/16/70/536771670.db2.gz GQUUGAMNQGNWTQ-XHSDSOJGSA-N 2 1 347.459 1.522 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000262634481 536771675 /nfs/dbraw/zinc/77/16/75/536771675.db2.gz GQUUGAMNQGNWTQ-XHSDSOJGSA-N 2 1 347.459 1.522 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccn(C(C)C)n1 ZINC000742609185 579456609 /nfs/dbraw/zinc/45/66/09/579456609.db2.gz OOSZBBCFSLVEJN-GOSISDBHSA-N 2 1 349.523 1.881 20 0 EDADMP CCC[C@]1(C)CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000743408454 579479609 /nfs/dbraw/zinc/47/96/09/579479609.db2.gz YKGMJFHUBUAABK-QGZVFWFLSA-N 2 1 336.480 1.862 20 0 EDADMP CCC[C@]1(C)CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000743408454 579479610 /nfs/dbraw/zinc/47/96/10/579479610.db2.gz YKGMJFHUBUAABK-QGZVFWFLSA-N 2 1 336.480 1.862 20 0 EDADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CC[NH+]1CCOCC1 ZINC000727399246 578528004 /nfs/dbraw/zinc/52/80/04/578528004.db2.gz JQBBYQCXXHAWSL-UHFFFAOYSA-N 2 1 333.476 1.819 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760468855 580031472 /nfs/dbraw/zinc/03/14/72/580031472.db2.gz ZXDJZLRVIXZEPL-MRXNPFEDSA-N 2 1 342.553 1.149 20 0 EDADMP C[NH+](C)CCCOc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000732164375 578695401 /nfs/dbraw/zinc/69/54/01/578695401.db2.gz ZVFOHSJXHOPJMU-UHFFFAOYSA-N 2 1 335.448 1.678 20 0 EDADMP CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000733029890 578739190 /nfs/dbraw/zinc/73/91/90/578739190.db2.gz LPTFGOGGUSAKPB-HOTGVXAUSA-N 2 1 325.497 1.317 20 0 EDADMP CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000733029890 578739192 /nfs/dbraw/zinc/73/91/92/578739192.db2.gz LPTFGOGGUSAKPB-HOTGVXAUSA-N 2 1 325.497 1.317 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000733190019 578751250 /nfs/dbraw/zinc/75/12/50/578751250.db2.gz OCBLEZQYVAJSFO-HNNXBMFYSA-N 2 1 333.480 1.606 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000736257699 578968484 /nfs/dbraw/zinc/96/84/84/578968484.db2.gz MEAACNXCEGICKM-UHFFFAOYSA-N 2 1 334.464 1.543 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)CCCCC[NH3+])CC1 ZINC000746306701 579586166 /nfs/dbraw/zinc/58/61/66/579586166.db2.gz QZZVCMAMPCGXCD-UHFFFAOYSA-N 2 1 346.519 1.959 20 0 EDADMP CN(C(=O)CCN1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746358062 579589322 /nfs/dbraw/zinc/58/93/22/579589322.db2.gz YMWYFJBMNPEHBW-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP CN(C(=O)CC[NH+]1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746358062 579589326 /nfs/dbraw/zinc/58/93/26/579589326.db2.gz YMWYFJBMNPEHBW-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(F)(F)C(F)F ZINC000749366125 579723031 /nfs/dbraw/zinc/72/30/31/579723031.db2.gz UTXSFUURVWPWPZ-LLVKDONJSA-N 2 1 327.366 1.761 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000754080929 579895878 /nfs/dbraw/zinc/89/58/78/579895878.db2.gz FYWUIFSPNFEJOV-SJLPKXTDSA-N 2 1 331.508 1.605 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000754080929 579895879 /nfs/dbraw/zinc/89/58/79/579895879.db2.gz FYWUIFSPNFEJOV-SJLPKXTDSA-N 2 1 331.508 1.605 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000756815401 579957503 /nfs/dbraw/zinc/95/75/03/579957503.db2.gz ZWFSEYHIRFUSRY-HOTGVXAUSA-N 2 1 326.554 1.913 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000756815401 579957504 /nfs/dbraw/zinc/95/75/04/579957504.db2.gz ZWFSEYHIRFUSRY-HOTGVXAUSA-N 2 1 326.554 1.913 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000756815401 579957505 /nfs/dbraw/zinc/95/75/05/579957505.db2.gz ZWFSEYHIRFUSRY-HOTGVXAUSA-N 2 1 326.554 1.913 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2C[C@@]3(CCOC3)CC2=O)C1 ZINC000756858063 579958757 /nfs/dbraw/zinc/95/87/57/579958757.db2.gz RYFULLUSOYESGT-FUHWJXTLSA-N 2 1 339.480 1.016 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2C[C@@]3(CCOC3)CC2=O)C1 ZINC000756858063 579958758 /nfs/dbraw/zinc/95/87/58/579958758.db2.gz RYFULLUSOYESGT-FUHWJXTLSA-N 2 1 339.480 1.016 20 0 EDADMP COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1Cn1cccn1 ZINC000762785988 580083098 /nfs/dbraw/zinc/08/30/98/580083098.db2.gz JHLIZVCSURFUEW-KXBFYZLASA-N 2 1 344.459 1.657 20 0 EDADMP COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1Cn1cccn1 ZINC000762785988 580083099 /nfs/dbraw/zinc/08/30/99/580083099.db2.gz JHLIZVCSURFUEW-KXBFYZLASA-N 2 1 344.459 1.657 20 0 EDADMP CN(C)c1ccc(N2CCC([NH2+]C[C@]3(O)CC[N@H+](C)C3)CC2)cc1 ZINC000762785719 580083121 /nfs/dbraw/zinc/08/31/21/580083121.db2.gz GUBYTRRUILFRKR-LJQANCHMSA-N 2 1 332.492 1.378 20 0 EDADMP CN(C)c1ccc(N2CCC([NH2+]C[C@]3(O)CC[N@@H+](C)C3)CC2)cc1 ZINC000762785719 580083122 /nfs/dbraw/zinc/08/31/22/580083122.db2.gz GUBYTRRUILFRKR-LJQANCHMSA-N 2 1 332.492 1.378 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC000765811833 580151785 /nfs/dbraw/zinc/15/17/85/580151785.db2.gz RHMQJQHUDIRUGQ-SJLPKXTDSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC000765811833 580151786 /nfs/dbraw/zinc/15/17/86/580151786.db2.gz RHMQJQHUDIRUGQ-SJLPKXTDSA-N 2 1 331.460 1.345 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NC2CCC(C)CC2)C1 ZINC000779654767 580493414 /nfs/dbraw/zinc/49/34/14/580493414.db2.gz QWPFFAZSTDIYBC-NRXISQOPSA-N 2 1 340.468 1.289 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NC2CCC(C)CC2)C1 ZINC000779654767 580493415 /nfs/dbraw/zinc/49/34/15/580493415.db2.gz QWPFFAZSTDIYBC-NRXISQOPSA-N 2 1 340.468 1.289 20 0 EDADMP Cc1[nH+]ccn1CCOC(=O)C1(C(=O)OCCn2cc[nH+]c2C)CC1 ZINC000785327887 580640424 /nfs/dbraw/zinc/64/04/24/580640424.db2.gz VVDAKVADVRDPNV-UHFFFAOYSA-N 2 1 346.387 1.263 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000788894654 580731913 /nfs/dbraw/zinc/73/19/13/580731913.db2.gz RWSUJISEBRDKIN-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000788894654 580731914 /nfs/dbraw/zinc/73/19/14/580731914.db2.gz RWSUJISEBRDKIN-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP COC(=O)CC[N@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C(C)C ZINC000790363708 580767645 /nfs/dbraw/zinc/76/76/45/580767645.db2.gz UWHDNSOTMCLMRS-QGZVFWFLSA-N 2 1 339.436 1.134 20 0 EDADMP COC(=O)CC[N@@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C(C)C ZINC000790363708 580767646 /nfs/dbraw/zinc/76/76/46/580767646.db2.gz UWHDNSOTMCLMRS-QGZVFWFLSA-N 2 1 339.436 1.134 20 0 EDADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891809235 590630876 /nfs/dbraw/zinc/63/08/76/590630876.db2.gz NXHLTMJBCSWJHT-OKZBNKHCSA-N 2 1 330.476 1.899 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000891815392 590633269 /nfs/dbraw/zinc/63/32/69/590633269.db2.gz AVZLQYZGBNGHJT-CALCHBBNSA-N 2 1 346.475 1.330 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2)CCC(F)(F)F ZINC000891857234 590658405 /nfs/dbraw/zinc/65/84/05/590658405.db2.gz SPCGRQVSDMTRIM-GXTWGEPZSA-N 2 1 336.402 1.845 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000891877568 590666864 /nfs/dbraw/zinc/66/68/64/590666864.db2.gz LXWRZUNLPOFRAJ-FGTMMUONSA-N 2 1 336.524 1.946 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000892006111 590739514 /nfs/dbraw/zinc/73/95/14/590739514.db2.gz WOTVRRYDXZPNMX-NJAFHUGGSA-N 2 1 330.476 1.806 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CCC1(C)C ZINC000892118513 590809732 /nfs/dbraw/zinc/80/97/32/590809732.db2.gz HARYZCPQSGZTJV-KRWDZBQOSA-N 2 1 330.476 1.999 20 0 EDADMP Cc1cccn2cc(CCNC(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)nc12 ZINC000893382137 590820243 /nfs/dbraw/zinc/82/02/43/590820243.db2.gz NBVKSYQAWTTYLU-ZBFHGGJFSA-N 2 1 327.432 1.531 20 0 EDADMP Cc1nccn1-c1ncccc1CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000892257067 590890375 /nfs/dbraw/zinc/89/03/75/590890375.db2.gz DYFAZOMETIELNZ-IYBDPMFKSA-N 2 1 340.431 1.279 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000892257067 590890378 /nfs/dbraw/zinc/89/03/78/590890378.db2.gz DYFAZOMETIELNZ-IYBDPMFKSA-N 2 1 340.431 1.279 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000892257067 590890381 /nfs/dbraw/zinc/89/03/81/590890381.db2.gz DYFAZOMETIELNZ-IYBDPMFKSA-N 2 1 340.431 1.279 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2C)Cc1ccccc1 ZINC000892263287 590895813 /nfs/dbraw/zinc/89/58/13/590895813.db2.gz TXEOWFMMTQDJQG-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)Cc1ccccc1 ZINC000892263287 590895819 /nfs/dbraw/zinc/89/58/19/590895819.db2.gz TXEOWFMMTQDJQG-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C)Cc1ccccc1 ZINC000892263287 590895823 /nfs/dbraw/zinc/89/58/23/590895823.db2.gz TXEOWFMMTQDJQG-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000892306373 590928477 /nfs/dbraw/zinc/92/84/77/590928477.db2.gz YCGAORCJAPMUGY-WOGUSJMUSA-N 2 1 342.487 1.900 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000892331259 590957042 /nfs/dbraw/zinc/95/70/42/590957042.db2.gz URGIRNOBGOUFNE-KURKYZTESA-N 2 1 330.476 1.725 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)[C@H](c2ccccc2)C1 ZINC000892331259 590957047 /nfs/dbraw/zinc/95/70/47/590957047.db2.gz URGIRNOBGOUFNE-KURKYZTESA-N 2 1 330.476 1.725 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)[C@H](c2ccccc2)C1 ZINC000892331259 590957051 /nfs/dbraw/zinc/95/70/51/590957051.db2.gz URGIRNOBGOUFNE-KURKYZTESA-N 2 1 330.476 1.725 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000892530796 591061405 /nfs/dbraw/zinc/06/14/05/591061405.db2.gz XWXNKUOUYKVQCZ-FGTMMUONSA-N 2 1 328.460 1.715 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000892535178 591064131 /nfs/dbraw/zinc/06/41/31/591064131.db2.gz BSMLBMFARHHWBP-MSOLQXFVSA-N 2 1 346.475 1.329 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000892535178 591064138 /nfs/dbraw/zinc/06/41/38/591064138.db2.gz BSMLBMFARHHWBP-MSOLQXFVSA-N 2 1 346.475 1.329 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891413817 591070408 /nfs/dbraw/zinc/07/04/08/591070408.db2.gz BQVMBGJSCFULMT-JKSUJKDBSA-N 2 1 338.496 1.176 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892562996 591073703 /nfs/dbraw/zinc/07/37/03/591073703.db2.gz PYVBGMQANPXKNG-KSZLIROESA-N 2 1 345.491 1.815 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000891535532 591111562 /nfs/dbraw/zinc/11/15/62/591111562.db2.gz UFTZPJIVZVGLLK-AEFFLSMTSA-N 2 1 332.492 1.943 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000891563175 591129481 /nfs/dbraw/zinc/12/94/81/591129481.db2.gz ADFSBDUXASQHEH-VGWMRTNUSA-N 2 1 326.485 1.160 20 0 EDADMP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000891578727 591133834 /nfs/dbraw/zinc/13/38/34/591133834.db2.gz ZVGYHPUJAUBJSU-ZWKOTPCHSA-N 2 1 328.460 1.484 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC[C@H]2C)C1 ZINC000891597299 591142487 /nfs/dbraw/zinc/14/24/87/591142487.db2.gz GVLFNPQWHPHKQU-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@@H+]2CCC[C@H]2C)C1 ZINC000891597299 591142491 /nfs/dbraw/zinc/14/24/91/591142491.db2.gz GVLFNPQWHPHKQU-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@H+]2CCC[C@H]2C)C1 ZINC000891597299 591142494 /nfs/dbraw/zinc/14/24/94/591142494.db2.gz GVLFNPQWHPHKQU-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000891671527 591178913 /nfs/dbraw/zinc/17/89/13/591178913.db2.gz XSQBLNBDXBDFBV-ZIAGYGMSSA-N 2 1 332.439 1.508 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891685933 591185640 /nfs/dbraw/zinc/18/56/40/591185640.db2.gz UISREHVRSROHBY-NCOADZHNSA-N 2 1 336.480 1.166 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000891751942 591210802 /nfs/dbraw/zinc/21/08/02/591210802.db2.gz AZJWSVGMBOBPDT-QGZVFWFLSA-N 2 1 341.544 1.336 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892882122 591214274 /nfs/dbraw/zinc/21/42/74/591214274.db2.gz DVNPMVFIAIBMNX-GFCCVEGCSA-N 2 1 337.493 1.354 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000895666673 591246762 /nfs/dbraw/zinc/24/67/62/591246762.db2.gz QIYFZYWZFSUKOT-HNSVSWJLSA-N 2 1 342.553 1.984 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000895666673 591246764 /nfs/dbraw/zinc/24/67/64/591246764.db2.gz QIYFZYWZFSUKOT-HNSVSWJLSA-N 2 1 342.553 1.984 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897407807 591368244 /nfs/dbraw/zinc/36/82/44/591368244.db2.gz DSDDMYWPYDCOQJ-AYOQOUSVSA-N 2 1 343.471 1.344 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCCOCC2)[C@@H]1c1ccccc1 ZINC000897503101 591506143 /nfs/dbraw/zinc/50/61/43/591506143.db2.gz UUGKEPGYQYJYRW-ROUUACIJSA-N 2 1 331.460 1.518 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NCC[N@@H+]2CCCOCC2)[C@@H]1c1ccccc1 ZINC000897503101 591506147 /nfs/dbraw/zinc/50/61/47/591506147.db2.gz UUGKEPGYQYJYRW-ROUUACIJSA-N 2 1 331.460 1.518 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NCC[N@H+]2CCCOCC2)[C@@H]1c1ccccc1 ZINC000897503101 591506151 /nfs/dbraw/zinc/50/61/51/591506151.db2.gz UUGKEPGYQYJYRW-ROUUACIJSA-N 2 1 331.460 1.518 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000897518054 591519062 /nfs/dbraw/zinc/51/90/62/591519062.db2.gz BTZREKJVUZHVIZ-HZPDHXFCSA-N 2 1 331.464 1.786 20 0 EDADMP CN1CCC[C@@H]1c1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)[nH]n1 ZINC000896613244 591548006 /nfs/dbraw/zinc/54/80/06/591548006.db2.gz OWSYUYZLQCQEQW-WMLDXEAASA-N 2 1 349.479 1.359 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000896613244 591548009 /nfs/dbraw/zinc/54/80/09/591548009.db2.gz OWSYUYZLQCQEQW-WMLDXEAASA-N 2 1 349.479 1.359 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897640743 591602552 /nfs/dbraw/zinc/60/25/52/591602552.db2.gz QMYDOZAWOGPGKI-MSOLQXFVSA-N 2 1 335.492 1.620 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000897057360 591725408 /nfs/dbraw/zinc/72/54/08/591725408.db2.gz ZQJHYGSOXWMQLV-ZACQAIPSSA-N 2 1 337.508 1.743 20 0 EDADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000895380648 591737389 /nfs/dbraw/zinc/73/73/89/591737389.db2.gz PNWJKBVHLCRMTP-YOEHRIQHSA-N 2 1 339.505 1.886 20 0 EDADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000895380648 591737390 /nfs/dbraw/zinc/73/73/90/591737390.db2.gz PNWJKBVHLCRMTP-YOEHRIQHSA-N 2 1 339.505 1.886 20 0 EDADMP Cc1ccnc(N)c1C[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000895412488 591748177 /nfs/dbraw/zinc/74/81/77/591748177.db2.gz XLFNAMUIHLZIJT-UHFFFAOYSA-N 2 1 328.372 1.472 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC(C)(C)N2CCOCC2)[C@@H]1c1ccccc1 ZINC000895415051 591749806 /nfs/dbraw/zinc/74/98/06/591749806.db2.gz SAFVSASOTLBOLJ-ROUUACIJSA-N 2 1 345.487 1.906 20 0 EDADMP COCC[N@@H+](C[C@H]1[C@H](C(=O)OC)C1(F)F)CC1CC[NH+](C)CC1 ZINC000895417331 591750075 /nfs/dbraw/zinc/75/00/75/591750075.db2.gz YDMADJNGZODMFU-UONOGXRCSA-N 2 1 334.407 1.331 20 0 EDADMP C[C@H]([NH2+]CCCc1nnnn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898037949 591764574 /nfs/dbraw/zinc/76/45/74/591764574.db2.gz AGBSPNXPSMWYPY-RDJZCZTQSA-N 2 1 328.464 1.643 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900182807 591932160 /nfs/dbraw/zinc/93/21/60/591932160.db2.gz MTEDJRQSBMRVGF-UYAOXDASSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC1 ZINC000900182807 591932163 /nfs/dbraw/zinc/93/21/63/591932163.db2.gz MTEDJRQSBMRVGF-UYAOXDASSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC1 ZINC000900182807 591932165 /nfs/dbraw/zinc/93/21/65/591932165.db2.gz MTEDJRQSBMRVGF-UYAOXDASSA-N 2 1 345.487 1.484 20 0 EDADMP COc1c[nH+]ccc1N1CC[NH+](Cn2cc(OC)c(=O)cc2C)CC1 ZINC000902245649 591958458 /nfs/dbraw/zinc/95/84/58/591958458.db2.gz SJSBXJDYNRNCRA-UHFFFAOYSA-N 2 1 344.415 1.349 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000900289115 591972996 /nfs/dbraw/zinc/97/29/96/591972996.db2.gz HQZLOWONQNDGAO-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP CCOc1ccc(OC[C@@H](O)C[N@H+]2CCC23CC[NH+](C)CC3)cc1 ZINC000899909278 591975561 /nfs/dbraw/zinc/97/55/61/591975561.db2.gz AATYWVXXRPERQH-INIZCTEOSA-N 2 1 334.460 1.995 20 0 EDADMP Brc1ccc2ccnc(N3CC[NH2+]CC[NH2+]CC3)c2c1 ZINC000900368358 591998270 /nfs/dbraw/zinc/99/82/70/591998270.db2.gz DMSJMIHKGJMVGU-UHFFFAOYSA-N 2 1 335.249 1.997 20 0 EDADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc1 ZINC000900615631 592071456 /nfs/dbraw/zinc/07/14/56/592071456.db2.gz BPYFGLLEOOGJPN-MAUKXSAKSA-N 2 1 335.448 1.411 20 0 EDADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cc1 ZINC000900615631 592071459 /nfs/dbraw/zinc/07/14/59/592071459.db2.gz BPYFGLLEOOGJPN-MAUKXSAKSA-N 2 1 335.448 1.411 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000900658975 592083229 /nfs/dbraw/zinc/08/32/29/592083229.db2.gz JZNZLBQITCPAKP-SFHVURJKSA-N 2 1 325.497 1.606 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC1 ZINC000900686276 592094139 /nfs/dbraw/zinc/09/41/39/592094139.db2.gz DYBJNSYBXVIPON-LJQANCHMSA-N 2 1 339.524 1.804 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900686276 592094141 /nfs/dbraw/zinc/09/41/41/592094141.db2.gz DYBJNSYBXVIPON-LJQANCHMSA-N 2 1 339.524 1.804 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900686276 592094144 /nfs/dbraw/zinc/09/41/44/592094144.db2.gz DYBJNSYBXVIPON-LJQANCHMSA-N 2 1 339.524 1.804 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)CC(C)C ZINC000900685453 592094360 /nfs/dbraw/zinc/09/43/60/592094360.db2.gz TUACXXVKCAJOJX-WMZOPIPTSA-N 2 1 327.513 1.706 20 0 EDADMP Cn1nccc1[C@@H]1[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCC(=O)N1C ZINC000903124517 592124520 /nfs/dbraw/zinc/12/45/20/592124520.db2.gz UBLSXJFSQHRSMC-YJBOKZPZSA-N 2 1 331.464 1.298 20 0 EDADMP O=C([C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)C1)N1CC[NH2+]CC1 ZINC000903422043 592170414 /nfs/dbraw/zinc/17/04/14/592170414.db2.gz UQGJDQVHQWXNNR-HZSPNIEDSA-N 2 1 349.397 1.240 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000903445996 592173092 /nfs/dbraw/zinc/17/30/92/592173092.db2.gz QPQYSDQWHXRZIA-QMHWVQJVSA-N 2 1 341.446 1.858 20 0 EDADMP CCOC(=O)c1ccc(N2CCC[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)nc1 ZINC000903454634 592174277 /nfs/dbraw/zinc/17/42/77/592174277.db2.gz GSOSUCHFKGAXIV-WBVHZDCISA-N 2 1 346.475 1.626 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903496667 592187637 /nfs/dbraw/zinc/18/76/37/592187637.db2.gz XYVFBBFPYXHGFF-IJEWVQPXSA-N 2 1 349.475 1.625 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495878 592187663 /nfs/dbraw/zinc/18/76/63/592187663.db2.gz AZGFQZIOJFZPOP-QKPAOTATSA-N 2 1 347.459 1.248 20 0 EDADMP C(c1noc2c1CCCC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903508517 592189370 /nfs/dbraw/zinc/18/93/70/592189370.db2.gz JYVIXNVWCWMDKU-IYBDPMFKSA-N 2 1 330.476 1.954 20 0 EDADMP O=C1CC[C@@H]([NH2+]Cc2nc(C3CCC3)no2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903527429 592205756 /nfs/dbraw/zinc/20/57/56/592205756.db2.gz ZTKXOTOVXJWQSW-CJNGLKHVSA-N 2 1 333.436 1.074 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)CC1 ZINC000903567952 592223862 /nfs/dbraw/zinc/22/38/62/592223862.db2.gz GTSDXMFAJUEPQZ-GJZGRUSLSA-N 2 1 348.466 1.316 20 0 EDADMP CN(C(=O)C[C@]1(O)CCC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901074268 592224166 /nfs/dbraw/zinc/22/41/66/592224166.db2.gz FHOXEXDMJUAWFD-AZUAARDMSA-N 2 1 345.487 1.566 20 0 EDADMP CN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000901074268 592224168 /nfs/dbraw/zinc/22/41/68/592224168.db2.gz FHOXEXDMJUAWFD-AZUAARDMSA-N 2 1 345.487 1.566 20 0 EDADMP CN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000901074268 592224170 /nfs/dbraw/zinc/22/41/70/592224170.db2.gz FHOXEXDMJUAWFD-AZUAARDMSA-N 2 1 345.487 1.566 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@H]1C ZINC000906665444 592246953 /nfs/dbraw/zinc/24/69/53/592246953.db2.gz WBMVMYDUXJGYPZ-KGLIPLIRSA-N 2 1 346.475 1.760 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@H]1C ZINC000906665444 592246955 /nfs/dbraw/zinc/24/69/55/592246955.db2.gz WBMVMYDUXJGYPZ-KGLIPLIRSA-N 2 1 346.475 1.760 20 0 EDADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)C1 ZINC000904381458 592247623 /nfs/dbraw/zinc/24/76/23/592247623.db2.gz PPMKWAVEACMYJD-XQZGEAEESA-N 2 1 331.382 1.455 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420106 592258122 /nfs/dbraw/zinc/25/81/22/592258122.db2.gz BIIIZHYKOOPCLJ-JKSUJKDBSA-N 2 1 334.464 1.493 20 0 EDADMP O=C(c1ccccc1)N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903718228 592280642 /nfs/dbraw/zinc/28/06/42/592280642.db2.gz IXHIYHWDUKSVRB-SFHVURJKSA-N 2 1 343.471 1.603 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904577088 592285656 /nfs/dbraw/zinc/28/56/56/592285656.db2.gz MTDUBESKBTZKGH-AWEZNQCLSA-N 2 1 333.480 1.638 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904577091 592285836 /nfs/dbraw/zinc/28/58/36/592285836.db2.gz MTDUBESKBTZKGH-CQSZACIVSA-N 2 1 333.480 1.638 20 0 EDADMP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCN(c2ccccc2)C1=O ZINC000903730768 592287063 /nfs/dbraw/zinc/28/70/63/592287063.db2.gz YZCTZYRZDXTHIS-ZWKOTPCHSA-N 2 1 343.471 1.882 20 0 EDADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCN(c2ccccc2)C1=O ZINC000903730768 592287066 /nfs/dbraw/zinc/28/70/66/592287066.db2.gz YZCTZYRZDXTHIS-ZWKOTPCHSA-N 2 1 343.471 1.882 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752932 592296911 /nfs/dbraw/zinc/29/69/11/592296911.db2.gz QHSGBWBPBZVLAZ-QAETUUGQSA-N 2 1 336.476 1.951 20 0 EDADMP C[NH+](C)CCOc1cc(-c2noc(C[C@H]([NH3+])C(F)F)n2)ccn1 ZINC000904629055 592299446 /nfs/dbraw/zinc/29/94/46/592299446.db2.gz ZWSUYWHSLGWPRS-JTQLQIEISA-N 2 1 327.335 1.207 20 0 EDADMP c1cc2c(c(-c3nc([C@H]4C[N@H+]5CCC[C@H]5CO4)no3)c1)OCC[NH2+]C2 ZINC000904637969 592301080 /nfs/dbraw/zinc/30/10/80/592301080.db2.gz NLPOYNMGWVNJFE-DZGCQCFKSA-N 2 1 342.399 1.754 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903742565 592304781 /nfs/dbraw/zinc/30/47/81/592304781.db2.gz XKUQDACPBHXHIJ-AABGKKOBSA-N 2 1 329.488 1.961 20 0 EDADMP CN(Cc1ccccc1)[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903742565 592304786 /nfs/dbraw/zinc/30/47/86/592304786.db2.gz XKUQDACPBHXHIJ-AABGKKOBSA-N 2 1 329.488 1.961 20 0 EDADMP CN(Cc1ccccc1)[C@@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903742565 592304790 /nfs/dbraw/zinc/30/47/90/592304790.db2.gz XKUQDACPBHXHIJ-AABGKKOBSA-N 2 1 329.488 1.961 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903767051 592309819 /nfs/dbraw/zinc/30/98/19/592309819.db2.gz SODKXNKEMUPLAV-IRXDYDNUSA-N 3 1 325.497 1.188 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903767051 592309821 /nfs/dbraw/zinc/30/98/21/592309821.db2.gz SODKXNKEMUPLAV-IRXDYDNUSA-N 3 1 325.497 1.188 20 0 EDADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1)C1CCCC1 ZINC000903782282 592321236 /nfs/dbraw/zinc/32/12/36/592321236.db2.gz IZLQWFZIMRDMAG-RDJZCZTQSA-N 2 1 343.537 1.642 20 0 EDADMP O=S(=O)(C1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1)N1CCCCC1 ZINC000903788460 592323419 /nfs/dbraw/zinc/32/34/19/592323419.db2.gz LJMKWEOSKCPBHA-MRXNPFEDSA-N 2 1 343.537 1.656 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ncc[nH]2)C1 ZINC000901297731 592328546 /nfs/dbraw/zinc/32/85/46/592328546.db2.gz BLDJJAKMKLQYCF-KBPBESRZSA-N 2 1 334.420 1.348 20 0 EDADMP Cn1cc([C@@H]2CSCCC[N@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cn1 ZINC000903829626 592335544 /nfs/dbraw/zinc/33/55/44/592335544.db2.gz IOWUZJFPWAFQGK-IKGGRYGDSA-N 2 1 336.505 1.669 20 0 EDADMP COC(=O)CCN1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)[C@@H](C)C1 ZINC000901320521 592340160 /nfs/dbraw/zinc/34/01/60/592340160.db2.gz DGRMROUGITZJKA-JYJNAYRXSA-N 2 1 337.464 1.099 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCO[C@@H](c3ccc(F)cc3)C1)C2 ZINC000903844988 592343848 /nfs/dbraw/zinc/34/38/48/592343848.db2.gz DPJJPAAAYNGEJA-XDKFSHSGSA-N 2 1 347.434 1.537 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCO[C@@H](c3ccc(F)cc3)C1)C2 ZINC000903844988 592343853 /nfs/dbraw/zinc/34/38/53/592343853.db2.gz DPJJPAAAYNGEJA-XDKFSHSGSA-N 2 1 347.434 1.537 20 0 EDADMP CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000906827068 592356610 /nfs/dbraw/zinc/35/66/10/592356610.db2.gz QDKDNMXRLJSCFM-JKSUJKDBSA-N 2 1 325.497 1.555 20 0 EDADMP CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1C[C@H](C)O ZINC000906827068 592356614 /nfs/dbraw/zinc/35/66/14/592356614.db2.gz QDKDNMXRLJSCFM-JKSUJKDBSA-N 2 1 325.497 1.555 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)Cc2ccc3c(c2)OCCO3)cnn1C ZINC000903877651 592357606 /nfs/dbraw/zinc/35/76/06/592357606.db2.gz ONWCVMFGZQEORX-MRXNPFEDSA-N 2 1 344.459 1.749 20 0 EDADMP NC(=O)CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903877500 592357794 /nfs/dbraw/zinc/35/77/94/592357794.db2.gz AZHOFSSUGODXKI-MRXNPFEDSA-N 2 1 342.447 1.080 20 0 EDADMP NC(=O)CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903877500 592357800 /nfs/dbraw/zinc/35/78/00/592357800.db2.gz AZHOFSSUGODXKI-MRXNPFEDSA-N 2 1 342.447 1.080 20 0 EDADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903913931 592376031 /nfs/dbraw/zinc/37/60/31/592376031.db2.gz FTWOWDHKCROJFO-MAUKXSAKSA-N 2 1 349.479 1.614 20 0 EDADMP [NH3+][C@H](C[NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1)CC(F)F ZINC000903926839 592381334 /nfs/dbraw/zinc/38/13/34/592381334.db2.gz UTAAWTMATSCJLU-STQMWFEESA-N 2 1 327.375 1.238 20 0 EDADMP CS(=O)(=O)[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C(F)(F)F ZINC000903933832 592385761 /nfs/dbraw/zinc/38/57/61/592385761.db2.gz WMRZBMFMDNLBAZ-ZLOUSURVSA-N 2 1 340.411 1.424 20 0 EDADMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955115 592395481 /nfs/dbraw/zinc/39/54/81/592395481.db2.gz KYGIHBMGNRCAFY-HNNXBMFYSA-N 3 1 327.419 1.961 20 0 EDADMP O[C@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)CC1(O)CCCC1 ZINC000905094228 592420430 /nfs/dbraw/zinc/42/04/30/592420430.db2.gz OODBPSQFBWDENN-INIZCTEOSA-N 2 1 326.481 1.277 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@@H]4C[C@@H]4C[NH3+])n3)cc2)CC1 ZINC000904101645 592426191 /nfs/dbraw/zinc/42/61/91/592426191.db2.gz QWQSEHDYCURJGZ-HUUCEWRRSA-N 2 1 341.415 1.186 20 0 EDADMP C[NH+](C)CCOc1cccc(NC(=O)Nc2cc3n(n2)CC[NH2+]C3)c1 ZINC000904294368 592474480 /nfs/dbraw/zinc/47/44/80/592474480.db2.gz ASYINOBAGYBFCX-UHFFFAOYSA-N 2 1 344.419 1.571 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000905398678 592520337 /nfs/dbraw/zinc/52/03/37/592520337.db2.gz YFERVLNHRRMRCX-IAGOWNOFSA-N 2 1 325.497 1.581 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000905475171 592536883 /nfs/dbraw/zinc/53/68/83/592536883.db2.gz SDFCJWWMOYFESH-WOJBJXKFSA-N 2 1 346.446 1.812 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000905475171 592536885 /nfs/dbraw/zinc/53/68/85/592536885.db2.gz SDFCJWWMOYFESH-WOJBJXKFSA-N 2 1 346.446 1.812 20 0 EDADMP COc1cc(OC)c2ncnc(NCC[NH+]3CCC([NH3+])CC3)c2c1 ZINC000905706271 592617556 /nfs/dbraw/zinc/61/75/56/592617556.db2.gz MEERPWYKRIMSKM-UHFFFAOYSA-N 2 1 331.420 1.482 20 0 EDADMP CCn1c([C@H]2CN(C)C[C@H](C)O2)nnc1N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000908831712 592636327 /nfs/dbraw/zinc/63/63/27/592636327.db2.gz VYENWTIUUFLXGX-OIPACUDHSA-N 2 1 348.495 1.078 20 0 EDADMP CC[NH+]1CCC(NC(=O)Cn2cc(C[N@@H+](C)C(C)(C)C)nn2)CC1 ZINC000905788607 592649226 /nfs/dbraw/zinc/64/92/26/592649226.db2.gz OIWZLKXJDRXFAQ-UHFFFAOYSA-N 2 1 336.484 1.109 20 0 EDADMP Cc1ccc(F)c(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1F ZINC000905839180 592651748 /nfs/dbraw/zinc/65/17/48/592651748.db2.gz XOARLLVZKQXBHS-UHFFFAOYSA-N 2 1 335.402 1.879 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(Cc2cn(Cc3ncon3)nn2)C1 ZINC000906262082 592776713 /nfs/dbraw/zinc/77/67/13/592776713.db2.gz AQHKSNGORKWFGK-CQSZACIVSA-N 2 1 342.407 1.305 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000906645015 592865868 /nfs/dbraw/zinc/86/58/68/592865868.db2.gz IJJVGQHBXXRIIX-ZIAGYGMSSA-N 2 1 332.448 1.320 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000910859943 592897444 /nfs/dbraw/zinc/89/74/44/592897444.db2.gz GZTOZWOYEMUPCT-IAGOWNOFSA-N 2 1 339.524 1.801 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000911628674 592968915 /nfs/dbraw/zinc/96/89/15/592968915.db2.gz CPVPRMDIQWJXNL-IEBWSBKVSA-N 2 1 344.503 1.166 20 0 EDADMP O=C(N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC000911291360 592981483 /nfs/dbraw/zinc/98/14/83/592981483.db2.gz FJFHHPRAZATNGG-ZWKOTPCHSA-N 2 1 325.456 1.815 20 0 EDADMP CC1(C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000911837012 593020183 /nfs/dbraw/zinc/02/01/83/593020183.db2.gz BJXWCGACWNDUDN-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC000912203759 593071384 /nfs/dbraw/zinc/07/13/84/593071384.db2.gz CQAYMGZEHBDJJL-MSOLQXFVSA-N 2 1 332.492 1.943 20 0 EDADMP CC(C)C[NH2+]C1(CO)CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000912589835 593106881 /nfs/dbraw/zinc/10/68/81/593106881.db2.gz IGKYJVDHLRESJI-OAHLLOKOSA-N 2 1 343.537 1.023 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(F)cn1 ZINC000806729822 593112131 /nfs/dbraw/zinc/11/21/31/593112131.db2.gz WLAAIINRSHQIPC-QGZVFWFLSA-N 2 1 336.455 1.638 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000810538248 593410921 /nfs/dbraw/zinc/41/09/21/593410921.db2.gz AGOFTCZJFSQZJU-YJBOKZPZSA-N 2 1 341.471 1.568 20 0 EDADMP CC1(C)C(=O)N(C[NH+]2CCC(n3ccnc3)CC2)[C@@H]1[C@@H]1CCCO1 ZINC000811748225 593478328 /nfs/dbraw/zinc/47/83/28/593478328.db2.gz UNECXVXOLHMION-JKSUJKDBSA-N 2 1 332.448 1.894 20 0 EDADMP COC(=O)CCC[NH+]1CCC(NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000812747180 593508645 /nfs/dbraw/zinc/50/86/45/593508645.db2.gz QZPQZBIUYOXLMK-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834297 593510382 /nfs/dbraw/zinc/51/03/82/593510382.db2.gz BQJXBIPEKNSQEC-HZPDHXFCSA-N 2 1 341.496 1.678 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834297 593510383 /nfs/dbraw/zinc/51/03/83/593510383.db2.gz BQJXBIPEKNSQEC-HZPDHXFCSA-N 2 1 341.496 1.678 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cn1 ZINC000817154735 593577781 /nfs/dbraw/zinc/57/77/81/593577781.db2.gz OLXIKARFAUUYDP-MRXNPFEDSA-N 2 1 342.447 1.811 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)cn1 ZINC000817154735 593577782 /nfs/dbraw/zinc/57/77/82/593577782.db2.gz OLXIKARFAUUYDP-MRXNPFEDSA-N 2 1 342.447 1.811 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000818979479 593731928 /nfs/dbraw/zinc/73/19/28/593731928.db2.gz NYFOPXDTAHXPOH-CVEARBPZSA-N 2 1 341.496 1.821 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000818979479 593731929 /nfs/dbraw/zinc/73/19/29/593731929.db2.gz NYFOPXDTAHXPOH-CVEARBPZSA-N 2 1 341.496 1.821 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254867 593999011 /nfs/dbraw/zinc/99/90/11/593999011.db2.gz PAUUYCSTYXYLNB-HOCLYGCPSA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254867 593999013 /nfs/dbraw/zinc/99/90/13/593999013.db2.gz PAUUYCSTYXYLNB-HOCLYGCPSA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254867 593999014 /nfs/dbraw/zinc/99/90/14/593999014.db2.gz PAUUYCSTYXYLNB-HOCLYGCPSA-N 2 1 344.463 1.908 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4C[C@H]5C[C@H]5[NH2+]4)n3)cn2)CC1 ZINC000822915671 594121530 /nfs/dbraw/zinc/12/15/30/594121530.db2.gz RDNAZEZKOGRAJD-MCIONIFRSA-N 2 1 326.404 1.306 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[C@H]([NH3+])C2CC2)c1 ZINC000827533741 594226419 /nfs/dbraw/zinc/22/64/19/594226419.db2.gz JPWGRYOCTQWHPX-JKSUJKDBSA-N 2 1 330.432 1.202 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[C@H]([NH3+])C2CC2)c1 ZINC000827533741 594226420 /nfs/dbraw/zinc/22/64/20/594226420.db2.gz JPWGRYOCTQWHPX-JKSUJKDBSA-N 2 1 330.432 1.202 20 0 EDADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1-c1nn[nH]n1 ZINC000826192955 594371973 /nfs/dbraw/zinc/37/19/73/594371973.db2.gz KBFIMUKLRFWKEC-UHFFFAOYSA-N 2 1 341.419 1.902 20 0 EDADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1-c1nn[nH]n1 ZINC000826192955 594371977 /nfs/dbraw/zinc/37/19/77/594371977.db2.gz KBFIMUKLRFWKEC-UHFFFAOYSA-N 2 1 341.419 1.902 20 0 EDADMP c1cc(-c2nn[nH]n2)oc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000826515331 594513549 /nfs/dbraw/zinc/51/35/49/594513549.db2.gz VKIINVGVIGRULN-UHFFFAOYSA-N 2 1 346.435 1.537 20 0 EDADMP CCO[C@@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)C[NH+](C)C ZINC000831752337 594699433 /nfs/dbraw/zinc/69/94/33/594699433.db2.gz XTEPYGOVLQNBHP-YJBOKZPZSA-N 2 1 333.476 1.516 20 0 EDADMP CCO[C@@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)C[NH+](C)C ZINC000831752337 594699434 /nfs/dbraw/zinc/69/94/34/594699434.db2.gz XTEPYGOVLQNBHP-YJBOKZPZSA-N 2 1 333.476 1.516 20 0 EDADMP [NH3+]CC1(O)CC[NH+](Cc2ccccc2I)CC1 ZINC000841107235 594852039 /nfs/dbraw/zinc/85/20/39/594852039.db2.gz DHXMMDSODHPBFX-UHFFFAOYSA-N 2 1 346.212 1.577 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)cn1 ZINC000841721336 594943533 /nfs/dbraw/zinc/94/35/33/594943533.db2.gz GCSIYSFYGAOQSE-OAHLLOKOSA-N 2 1 328.420 1.517 20 0 EDADMP C[NH2+]C[C@H](C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000843200614 595031907 /nfs/dbraw/zinc/03/19/07/595031907.db2.gz IRPANPKPAVGQOS-ZDUSSCGKSA-N 2 1 343.431 1.447 20 0 EDADMP CC(C)[NH+]1CC(NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000837545231 595135686 /nfs/dbraw/zinc/13/56/86/595135686.db2.gz JJVSEJKMWSKPRD-JXMROGBWSA-N 2 1 331.460 1.849 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C(C)C ZINC000846141237 595154923 /nfs/dbraw/zinc/15/49/23/595154923.db2.gz GSNQEEKSNSMICW-YESZJQIVSA-N 2 1 340.512 1.645 20 0 EDADMP O=S(=O)(NC1CC1)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000846219721 595176772 /nfs/dbraw/zinc/17/67/72/595176772.db2.gz FJXGKQDLXOZTTM-UHFFFAOYSA-N 2 1 349.500 1.703 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cn1 ZINC000837762212 595189358 /nfs/dbraw/zinc/18/93/58/595189358.db2.gz KTLRTWHQUFNGOO-UHFFFAOYSA-N 2 1 330.436 1.715 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1)N1CC[NH2+]CC1 ZINC000843047552 595272955 /nfs/dbraw/zinc/27/29/55/595272955.db2.gz VXIBUSMMAOEFFU-INIZCTEOSA-N 2 1 329.444 1.361 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000843062669 595277695 /nfs/dbraw/zinc/27/76/95/595277695.db2.gz QZWYOHRTZACCOT-UKRRQHHQSA-N 2 1 348.365 1.665 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000844176173 595292834 /nfs/dbraw/zinc/29/28/34/595292834.db2.gz XZZBPQONFNTOAW-CYBMUJFWSA-N 2 1 335.358 1.437 20 0 EDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846809004 595319422 /nfs/dbraw/zinc/31/94/22/595319422.db2.gz OKQMTHARNHEDEK-RHSMWYFYSA-N 2 1 327.469 1.242 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000844901555 595410484 /nfs/dbraw/zinc/41/04/84/595410484.db2.gz GPKCKYVMQXIXLU-XYJFISCASA-N 2 1 347.459 1.269 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)cn1 ZINC000848596017 595414070 /nfs/dbraw/zinc/41/40/70/595414070.db2.gz QUGQTGTUVBRQBK-LLVKDONJSA-N 2 1 342.325 1.265 20 0 EDADMP COCCN1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000844949071 595418218 /nfs/dbraw/zinc/41/82/18/595418218.db2.gz LGONTKMMAQGKDO-SFHVURJKSA-N 2 1 343.487 1.768 20 0 EDADMP COCC[N@H+]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000844949071 595418222 /nfs/dbraw/zinc/41/82/22/595418222.db2.gz LGONTKMMAQGKDO-SFHVURJKSA-N 2 1 343.487 1.768 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000844949071 595418225 /nfs/dbraw/zinc/41/82/25/595418225.db2.gz LGONTKMMAQGKDO-SFHVURJKSA-N 2 1 343.487 1.768 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000844949071 595418226 /nfs/dbraw/zinc/41/82/26/595418226.db2.gz LGONTKMMAQGKDO-SFHVURJKSA-N 2 1 343.487 1.768 20 0 EDADMP Cn1cncc1CNC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000845201380 595460108 /nfs/dbraw/zinc/46/01/08/595460108.db2.gz KWUZZHFUMYXJMJ-INIZCTEOSA-N 2 1 327.432 1.488 20 0 EDADMP Cn1cncc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000845201380 595460110 /nfs/dbraw/zinc/46/01/10/595460110.db2.gz KWUZZHFUMYXJMJ-INIZCTEOSA-N 2 1 327.432 1.488 20 0 EDADMP CC(C)Oc1ccc(NC(=[NH2+])NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000849057934 595476051 /nfs/dbraw/zinc/47/60/51/595476051.db2.gz DPDQSRUBQRMBMF-UHFFFAOYSA-N 2 1 347.463 1.574 20 0 EDADMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000849100841 595481875 /nfs/dbraw/zinc/48/18/75/595481875.db2.gz HWOXTISUJIDTOK-CQSZACIVSA-N 2 1 349.479 1.666 20 0 EDADMP C[C@@]1(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1(Cl)Cl ZINC000849115561 595484240 /nfs/dbraw/zinc/48/42/40/595484240.db2.gz YRKUTUVIARRFGA-CYBMUJFWSA-N 2 1 337.295 1.797 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](CO)c1ccc(OC)cc1 ZINC000849117112 595484623 /nfs/dbraw/zinc/48/46/23/595484623.db2.gz YSIQAPHJONBZNM-HZPDHXFCSA-N 2 1 334.464 1.369 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CC12CCSCC2 ZINC000849118097 595484901 /nfs/dbraw/zinc/48/49/01/595484901.db2.gz JCZURXHFXKUDQP-CQSZACIVSA-N 2 1 326.510 1.356 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC[NH+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849485873 595548141 /nfs/dbraw/zinc/54/81/41/595548141.db2.gz YTIVCGHJJUJGSU-QZTJIDSGSA-N 2 1 347.507 1.398 20 0 EDADMP CC(C)[NH+]1CC[C@@H](C(=O)N2CCC[N@H+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849485873 595548143 /nfs/dbraw/zinc/54/81/43/595548143.db2.gz YTIVCGHJJUJGSU-QZTJIDSGSA-N 2 1 347.507 1.398 20 0 EDADMP CC(C)[NH+]1CC[C@@H](C(=O)N2CCC[N@@H+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849485873 595548145 /nfs/dbraw/zinc/54/81/45/595548145.db2.gz YTIVCGHJJUJGSU-QZTJIDSGSA-N 2 1 347.507 1.398 20 0 EDADMP CC(C)c1[nH+]ccn1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000852860479 595581800 /nfs/dbraw/zinc/58/18/00/595581800.db2.gz DGKXZAKTYDHFCP-AWEZNQCLSA-N 2 1 345.451 1.343 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC2([NH+](C)C)CCC2)cn1 ZINC000849583478 595581855 /nfs/dbraw/zinc/58/18/55/595581855.db2.gz UFZRTUSNAHHILA-HZPDHXFCSA-N 2 1 333.480 1.056 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)cn1 ZINC000849607963 595593092 /nfs/dbraw/zinc/59/30/92/595593092.db2.gz MMBYQIWLHQDWOU-IKGGRYGDSA-N 2 1 347.507 1.444 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cn1 ZINC000849607963 595593095 /nfs/dbraw/zinc/59/30/95/595593095.db2.gz MMBYQIWLHQDWOU-IKGGRYGDSA-N 2 1 347.507 1.444 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cn1 ZINC000849607963 595593097 /nfs/dbraw/zinc/59/30/97/595593097.db2.gz MMBYQIWLHQDWOU-IKGGRYGDSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849612219 595595294 /nfs/dbraw/zinc/59/52/94/595595294.db2.gz GXQHVZKTDQSJOE-BHYGNILZSA-N 2 1 335.496 1.300 20 0 EDADMP C[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852888222 595600530 /nfs/dbraw/zinc/60/05/30/595600530.db2.gz VNVQCWDYFHHLQE-IMJJTQAJSA-N 2 1 330.432 1.117 20 0 EDADMP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccn1 ZINC000853096429 595663136 /nfs/dbraw/zinc/66/31/36/595663136.db2.gz ASSUYOVYECCUSN-IBGZPJMESA-N 2 1 327.428 1.737 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2CC[C@H](C(C)C)C2=O)C1 ZINC000853500826 595770875 /nfs/dbraw/zinc/77/08/75/595770875.db2.gz QANKMANNVYYRSS-IAGOWNOFSA-N 2 1 325.497 1.881 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2CC[C@H](C(C)C)C2=O)C1 ZINC000853500826 595770878 /nfs/dbraw/zinc/77/08/78/595770878.db2.gz QANKMANNVYYRSS-IAGOWNOFSA-N 2 1 325.497 1.881 20 0 EDADMP CN1CCN(Cc2ccccc2)[C@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858635114 595851761 /nfs/dbraw/zinc/85/17/61/595851761.db2.gz VDAOZXDLCAYIBB-LJQANCHMSA-N 2 1 326.444 1.802 20 0 EDADMP C[N@@H+](CCN1CC[NH+](C[C@H]2COC(C)(C)O2)CC1)Cc1ccccc1 ZINC000851765216 595914902 /nfs/dbraw/zinc/91/49/02/595914902.db2.gz QMBVYGNEMCSIDP-IBGZPJMESA-N 2 1 347.503 1.888 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000856254763 595936720 /nfs/dbraw/zinc/93/67/20/595936720.db2.gz ZEGRWMBUVFIGSZ-KRWDZBQOSA-N 2 1 325.497 1.556 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254763 595936722 /nfs/dbraw/zinc/93/67/22/595936722.db2.gz ZEGRWMBUVFIGSZ-KRWDZBQOSA-N 2 1 325.497 1.556 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000856254763 595936726 /nfs/dbraw/zinc/93/67/26/595936726.db2.gz ZEGRWMBUVFIGSZ-KRWDZBQOSA-N 2 1 325.497 1.556 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000856255919 595936947 /nfs/dbraw/zinc/93/69/47/595936947.db2.gz KELWQJLAFCFXFU-CRAIPNDOSA-N 2 1 341.471 1.257 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000856255919 595936949 /nfs/dbraw/zinc/93/69/49/595936949.db2.gz KELWQJLAFCFXFU-CRAIPNDOSA-N 2 1 341.471 1.257 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000856255919 595936950 /nfs/dbraw/zinc/93/69/50/595936950.db2.gz KELWQJLAFCFXFU-CRAIPNDOSA-N 2 1 341.471 1.257 20 0 EDADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)N(C)C)C2)ccn1 ZINC000856598365 596030899 /nfs/dbraw/zinc/03/08/99/596030899.db2.gz USOMXFDWZGLNFB-KRWDZBQOSA-N 2 1 334.464 1.463 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)N(C)C)C2)ccn1 ZINC000856598365 596030903 /nfs/dbraw/zinc/03/09/03/596030903.db2.gz USOMXFDWZGLNFB-KRWDZBQOSA-N 2 1 334.464 1.463 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(=O)N(C)C)C2)ccn1 ZINC000856598365 596030908 /nfs/dbraw/zinc/03/09/08/596030908.db2.gz USOMXFDWZGLNFB-KRWDZBQOSA-N 2 1 334.464 1.463 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(=O)N(C)C)C2)ccn1 ZINC000856598365 596030913 /nfs/dbraw/zinc/03/09/13/596030913.db2.gz USOMXFDWZGLNFB-KRWDZBQOSA-N 2 1 334.464 1.463 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000861570613 596032586 /nfs/dbraw/zinc/03/25/86/596032586.db2.gz XONRJYFTVPIBIP-QGZVFWFLSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000861590629 596039187 /nfs/dbraw/zinc/03/91/87/596039187.db2.gz APIAJSKSFPEGFT-CVEARBPZSA-N 2 1 333.480 1.186 20 0 EDADMP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCC(=O)N2CC[NH+](C)CC2)n(C)n1 ZINC000852657789 596221292 /nfs/dbraw/zinc/22/12/92/596221292.db2.gz TZAACRKATUEPHH-WMZOPIPTSA-N 2 1 347.507 1.193 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702508 596300255 /nfs/dbraw/zinc/30/02/55/596300255.db2.gz BRLZLGBCBRLYBJ-SUMWQHHRSA-N 2 1 326.485 1.554 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702508 596300258 /nfs/dbraw/zinc/30/02/58/596300258.db2.gz BRLZLGBCBRLYBJ-SUMWQHHRSA-N 2 1 326.485 1.554 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)C2=O)cn1 ZINC000866709039 596303467 /nfs/dbraw/zinc/30/34/67/596303467.db2.gz VDGFFCWCUZBHQF-MAUKXSAKSA-N 2 1 333.480 1.612 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)C2=O)cn1 ZINC000866709039 596303472 /nfs/dbraw/zinc/30/34/72/596303472.db2.gz VDGFFCWCUZBHQF-MAUKXSAKSA-N 2 1 333.480 1.612 20 0 EDADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708053 596303479 /nfs/dbraw/zinc/30/34/79/596303479.db2.gz CNYJGPNHZMBZQS-NUJGCVRESA-N 2 1 345.443 1.841 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000866714188 596306640 /nfs/dbraw/zinc/30/66/40/596306640.db2.gz IEJZMAKZKWETCI-DZUCGIPZSA-N 2 1 331.391 1.680 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H](C)C1 ZINC000870887513 596391305 /nfs/dbraw/zinc/39/13/05/596391305.db2.gz CPYPRJYPNFSYMD-NXOAAHMSSA-N 2 1 325.497 1.757 20 0 EDADMP Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c1 ZINC000870908091 596399031 /nfs/dbraw/zinc/39/90/31/596399031.db2.gz USMGDJOHNRHJMO-SFHVURJKSA-N 2 1 331.460 1.408 20 0 EDADMP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c1 ZINC000870908091 596399034 /nfs/dbraw/zinc/39/90/34/596399034.db2.gz USMGDJOHNRHJMO-SFHVURJKSA-N 2 1 331.460 1.408 20 0 EDADMP CCNC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865438213 596574650 /nfs/dbraw/zinc/57/46/50/596574650.db2.gz PHGWKBPTSQCAGT-UHFFFAOYSA-N 2 1 330.354 1.749 20 0 EDADMP CCNC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865438213 596574652 /nfs/dbraw/zinc/57/46/52/596574652.db2.gz PHGWKBPTSQCAGT-UHFFFAOYSA-N 2 1 330.354 1.749 20 0 EDADMP Cn1ncc2cc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)cnc21 ZINC000865497250 596591489 /nfs/dbraw/zinc/59/14/89/596591489.db2.gz ZLFMAOARPLQTRP-ROUUACIJSA-N 2 1 343.475 1.826 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)CCCn1cc[nH+]c1C ZINC000869766284 596623564 /nfs/dbraw/zinc/62/35/64/596623564.db2.gz ZXFWEZGMPXIXHS-UHFFFAOYSA-N 2 1 336.480 1.789 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CC[C@](C)(C(F)(F)F)C2)C1=O ZINC000871598956 596647983 /nfs/dbraw/zinc/64/79/83/596647983.db2.gz FQGYEWBFXFXPJX-RISCZKNCSA-N 2 1 335.370 1.340 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CC[C@](C)(C(F)(F)F)C2)C1=O ZINC000871598956 596647985 /nfs/dbraw/zinc/64/79/85/596647985.db2.gz FQGYEWBFXFXPJX-RISCZKNCSA-N 2 1 335.370 1.340 20 0 EDADMP C[NH+]1CC[C@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)CC[C@@H]21 ZINC000868004158 596651672 /nfs/dbraw/zinc/65/16/72/596651672.db2.gz UNDNNMJEONEVHQ-OALUTQOASA-N 2 1 342.487 1.780 20 0 EDADMP Cc1ccccc1CNC(=O)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871786343 596700744 /nfs/dbraw/zinc/70/07/44/596700744.db2.gz YTTMGHXLYRVGRW-ALOPSCKCSA-N 2 1 344.459 1.982 20 0 EDADMP Cc1ccccc1CNC(=O)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871786343 596700746 /nfs/dbraw/zinc/70/07/46/596700746.db2.gz YTTMGHXLYRVGRW-ALOPSCKCSA-N 2 1 344.459 1.982 20 0 EDADMP CN(C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000868237173 596740208 /nfs/dbraw/zinc/74/02/08/596740208.db2.gz RFBGXVBVRHCSQI-YESZJQIVSA-N 2 1 342.443 1.135 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868281129 596762461 /nfs/dbraw/zinc/76/24/61/596762461.db2.gz MOBWITZFXWXOAF-UPTPFMHGSA-N 2 1 340.512 1.659 20 0 EDADMP COc1ccc([C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC[NH2+]2)cc1 ZINC000870146025 596772229 /nfs/dbraw/zinc/77/22/29/596772229.db2.gz TWCXYGCDEWRGQD-QILLFSRXSA-N 2 1 331.460 1.898 20 0 EDADMP COc1ccc([C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC[NH2+]2)cc1 ZINC000870146025 596772234 /nfs/dbraw/zinc/77/22/34/596772234.db2.gz TWCXYGCDEWRGQD-QILLFSRXSA-N 2 1 331.460 1.898 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)c2C1 ZINC000868304343 596778553 /nfs/dbraw/zinc/77/85/53/596778553.db2.gz HUKHVHVKHHCMQP-MQMHXKEQSA-N 2 1 330.432 1.204 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)c2C1 ZINC000868304343 596778554 /nfs/dbraw/zinc/77/85/54/596778554.db2.gz HUKHVHVKHHCMQP-MQMHXKEQSA-N 2 1 330.432 1.204 20 0 EDADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CCO1 ZINC000872032926 596798100 /nfs/dbraw/zinc/79/81/00/596798100.db2.gz CKGWRRNAXPQRIX-JYJNAYRXSA-N 2 1 325.497 1.757 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872152999 596814108 /nfs/dbraw/zinc/81/41/08/596814108.db2.gz XSYMBWBKOLMTIF-HUUCEWRRSA-N 3 1 336.446 1.472 20 0 EDADMP CC(C)[NH+]1CCN(CCCN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872152999 596814111 /nfs/dbraw/zinc/81/41/11/596814111.db2.gz XSYMBWBKOLMTIF-HUUCEWRRSA-N 2 1 336.446 1.472 20 0 EDADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1)C1CCCC1 ZINC000872156207 596815800 /nfs/dbraw/zinc/81/58/00/596815800.db2.gz GEEDSEULDUTTHV-KBAYOESNSA-N 2 1 337.508 1.901 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000872155178 596816145 /nfs/dbraw/zinc/81/61/45/596816145.db2.gz FSTOZYZXMLTXHY-UHFFFAOYSA-N 2 1 327.494 1.888 20 0 EDADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155003 596816215 /nfs/dbraw/zinc/81/62/15/596816215.db2.gz JGKNIEVDTIVGQW-CVEARBPZSA-N 2 1 349.475 1.782 20 0 EDADMP [NH3+][C@H](C[C@@H]1CCC[N@H+](Cc2nnc3n2CCOC3)C1)C1CCCC1 ZINC000872158605 596816828 /nfs/dbraw/zinc/81/68/28/596816828.db2.gz WHHLAZJZRANPAH-GOEBONIOSA-N 2 1 333.480 1.928 20 0 EDADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2nnc3n2CCOC3)C1)C1CCCC1 ZINC000872158605 596816831 /nfs/dbraw/zinc/81/68/31/596816831.db2.gz WHHLAZJZRANPAH-GOEBONIOSA-N 2 1 333.480 1.928 20 0 EDADMP CC(C)(O)C[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000872215093 596839288 /nfs/dbraw/zinc/83/92/88/596839288.db2.gz PKAGSOMWYQJVOP-MSOLQXFVSA-N 2 1 336.476 1.255 20 0 EDADMP CSC1(CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC[NH+](C)CC1 ZINC000875597849 596911127 /nfs/dbraw/zinc/91/11/27/596911127.db2.gz NKNYHLCIQAVMEZ-UHFFFAOYSA-N 2 1 342.553 1.940 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000875645560 596931974 /nfs/dbraw/zinc/93/19/74/596931974.db2.gz XTJOXRYKENMBHL-FUHWJXTLSA-N 2 1 348.491 1.445 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000875645560 596931976 /nfs/dbraw/zinc/93/19/76/596931976.db2.gz XTJOXRYKENMBHL-FUHWJXTLSA-N 2 1 348.491 1.445 20 0 EDADMP CN(C)C(=O)N1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C(C)(C)C1 ZINC000873207835 597227574 /nfs/dbraw/zinc/22/75/74/597227574.db2.gz GGPHSVSTTURGOJ-UHFFFAOYSA-N 2 1 336.505 1.972 20 0 EDADMP Cc1[nH+]ccn1CC(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000876520175 597228832 /nfs/dbraw/zinc/22/88/32/597228832.db2.gz RSGWOGXWFFLDIJ-UHFFFAOYSA-N 2 1 342.399 1.739 20 0 EDADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873213548 597229809 /nfs/dbraw/zinc/22/98/09/597229809.db2.gz HKLXENNWRKPTPH-CQSZACIVSA-N 2 1 347.406 1.894 20 0 EDADMP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000873263438 597242339 /nfs/dbraw/zinc/24/23/39/597242339.db2.gz WXIVOVDRUVYDLJ-BBRMVZONSA-N 2 1 325.478 1.257 20 0 EDADMP CC[C@H](CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000876723010 597305614 /nfs/dbraw/zinc/30/56/14/597305614.db2.gz KQANQXKZVDEAMD-CGTJXYLNSA-N 2 1 333.451 1.887 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000876733558 597312129 /nfs/dbraw/zinc/31/21/29/597312129.db2.gz ASZSXAKETDPPJF-SJORKVTESA-N 2 1 331.460 1.873 20 0 EDADMP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000876738922 597316022 /nfs/dbraw/zinc/31/60/22/597316022.db2.gz AMKPCIBEYVKORM-MRXNPFEDSA-N 2 1 341.459 1.173 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000876782242 597339089 /nfs/dbraw/zinc/33/90/89/597339089.db2.gz NWARCBYMSOCLGP-DLBZAZTESA-N 2 1 348.466 1.437 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000875346948 597393899 /nfs/dbraw/zinc/39/38/99/597393899.db2.gz TZUORMDQUUHJCX-KKUMJFAQSA-N 2 1 326.485 1.004 20 0 EDADMP [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000876960876 597397265 /nfs/dbraw/zinc/39/72/65/597397265.db2.gz OJHXLMRBFVRTAT-KSZLIROESA-N 2 1 331.460 1.387 20 0 EDADMP COc1ccccc1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1nccn1C ZINC000873898397 597439401 /nfs/dbraw/zinc/43/94/01/597439401.db2.gz PDJKDRXANMOOMI-KSSFIOAISA-N 2 1 342.443 1.976 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245481 597477073 /nfs/dbraw/zinc/47/70/73/597477073.db2.gz DFIUDHTWFXHKMF-MHORFTMASA-N 2 1 330.476 1.093 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245481 597477075 /nfs/dbraw/zinc/47/70/75/597477075.db2.gz DFIUDHTWFXHKMF-MHORFTMASA-N 2 1 330.476 1.093 20 0 EDADMP C[NH+]1CCC2(CCC[N@H+](Cc3cn(C[C@@H]4CCCO4)nn3)C2)CC1 ZINC000877495458 597525175 /nfs/dbraw/zinc/52/51/75/597525175.db2.gz CYKNKBKBLLLEOY-KRWDZBQOSA-N 2 1 333.480 1.765 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cn(C[C@@H]4CCCO4)nn3)C2)CC1 ZINC000877495458 597525177 /nfs/dbraw/zinc/52/51/77/597525177.db2.gz CYKNKBKBLLLEOY-KRWDZBQOSA-N 2 1 333.480 1.765 20 0 EDADMP CC(C)C[N@H+](Cc1coc(S(N)(=O)=O)c1)CC1CC[NH+](C)CC1 ZINC000877767589 597554034 /nfs/dbraw/zinc/55/40/34/597554034.db2.gz OUACJSUSPYNTMG-UHFFFAOYSA-N 2 1 343.493 1.727 20 0 EDADMP CN(CC[N@@H+](C)C[C@@H]1CC2(CO1)CCOCC2)C1CC[NH+](C)CC1 ZINC000878311425 597594669 /nfs/dbraw/zinc/59/46/69/597594669.db2.gz KZVNHBYQJNZKMW-SFHVURJKSA-N 2 1 339.524 1.530 20 0 EDADMP Cc1ccc([C@@H](O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000881412231 597607362 /nfs/dbraw/zinc/60/73/62/597607362.db2.gz LWXWLGQNLUPYFG-SFHVURJKSA-N 2 1 329.448 1.286 20 0 EDADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)NC(=O)Nc3ccccc3)CC[C@H]21 ZINC000879569219 597635557 /nfs/dbraw/zinc/63/55/57/597635557.db2.gz LGCPLJBHHNIRBF-GOEBONIOSA-N 2 1 330.432 1.751 20 0 EDADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)NC(=O)Nc3ccccc3)CC[C@H]21 ZINC000879569219 597635559 /nfs/dbraw/zinc/63/55/59/597635559.db2.gz LGCPLJBHHNIRBF-GOEBONIOSA-N 2 1 330.432 1.751 20 0 EDADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)NC(=O)Nc3ccccc3)CC[C@H]21 ZINC000879569219 597635561 /nfs/dbraw/zinc/63/55/61/597635561.db2.gz LGCPLJBHHNIRBF-GOEBONIOSA-N 2 1 330.432 1.751 20 0 EDADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)NC(=O)Nc3ccccc3)CC[C@H]21 ZINC000879569219 597635562 /nfs/dbraw/zinc/63/55/62/597635562.db2.gz LGCPLJBHHNIRBF-GOEBONIOSA-N 2 1 330.432 1.751 20 0 EDADMP COC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCCOC1 ZINC000883190243 597682018 /nfs/dbraw/zinc/68/20/18/597682018.db2.gz YGZZJSSVTZBJAW-NXHRZFHOSA-N 2 1 326.481 1.661 20 0 EDADMP CC(C)C[N@@H+](CCN1CCCS1(=O)=O)CC1CC[NH+](C)CC1 ZINC000879705059 597695713 /nfs/dbraw/zinc/69/57/13/597695713.db2.gz ZFIWOWXDGRYNHB-UHFFFAOYSA-N 2 1 331.526 1.322 20 0 EDADMP CC[C@H](CO)[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000879742808 597709486 /nfs/dbraw/zinc/70/94/86/597709486.db2.gz RFKMNZHDVCMFGC-GOSISDBHSA-N 2 1 333.476 1.470 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883415870 597739166 /nfs/dbraw/zinc/73/91/66/597739166.db2.gz HEXVPIUMXAHOGP-CVEARBPZSA-N 2 1 336.480 1.166 20 0 EDADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(Cc2ncc(C(=O)OC)s2)CC1 ZINC000883448287 597750946 /nfs/dbraw/zinc/75/09/46/597750946.db2.gz ZSNUONOIVZEMIB-INIZCTEOSA-N 2 1 341.477 1.155 20 0 EDADMP C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000878947405 597764187 /nfs/dbraw/zinc/76/41/87/597764187.db2.gz XIKOPHMTDPZZED-YJBOKZPZSA-N 2 1 349.523 1.808 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)C[C@H](O)c2ccccc2)CCO1 ZINC000879001241 597781619 /nfs/dbraw/zinc/78/16/19/597781619.db2.gz TWKXOOUVUWBPLE-QRVBRYPASA-N 2 1 336.476 1.514 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)C[C@H](O)c2ccccc2)CCO1 ZINC000879001241 597781621 /nfs/dbraw/zinc/78/16/21/597781621.db2.gz TWKXOOUVUWBPLE-QRVBRYPASA-N 2 1 336.476 1.514 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCn3cnnn3)C2)ccn1 ZINC000879020009 597788365 /nfs/dbraw/zinc/78/83/65/597788365.db2.gz YKBSKZGRGFIXRF-KRWDZBQOSA-N 2 1 345.451 1.062 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCn3cnnn3)C2)ccn1 ZINC000879020009 597788366 /nfs/dbraw/zinc/78/83/66/597788366.db2.gz YKBSKZGRGFIXRF-KRWDZBQOSA-N 2 1 345.451 1.062 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCn3cnnn3)C2)ccn1 ZINC000879020009 597788367 /nfs/dbraw/zinc/78/83/67/597788367.db2.gz YKBSKZGRGFIXRF-KRWDZBQOSA-N 2 1 345.451 1.062 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)CC1 ZINC000879035690 597794107 /nfs/dbraw/zinc/79/41/07/597794107.db2.gz BUDXIGGVCKDVIL-LJQANCHMSA-N 2 1 331.460 1.180 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@](O)(c3ccccc3)C2)CC1 ZINC000879035690 597794109 /nfs/dbraw/zinc/79/41/09/597794109.db2.gz BUDXIGGVCKDVIL-LJQANCHMSA-N 2 1 331.460 1.180 20 0 EDADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCN1CCOCC1)C2 ZINC000880020519 597811292 /nfs/dbraw/zinc/81/12/92/597811292.db2.gz KZXWDUXQRVVPIZ-VQTJNVASSA-N 2 1 329.488 1.773 20 0 EDADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCN1CCOCC1)C2 ZINC000880020519 597811295 /nfs/dbraw/zinc/81/12/95/597811295.db2.gz KZXWDUXQRVVPIZ-VQTJNVASSA-N 2 1 329.488 1.773 20 0 EDADMP C[C@]12C[NH+](CCN3CCOCC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880020519 597811297 /nfs/dbraw/zinc/81/12/97/597811297.db2.gz KZXWDUXQRVVPIZ-VQTJNVASSA-N 2 1 329.488 1.773 20 0 EDADMP C[C@]12C[NH+](CCN3CCOCC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880020519 597811300 /nfs/dbraw/zinc/81/13/00/597811300.db2.gz KZXWDUXQRVVPIZ-VQTJNVASSA-N 2 1 329.488 1.773 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883586279 597814762 /nfs/dbraw/zinc/81/47/62/597814762.db2.gz IGDUORZBMKVWCD-WMLDXEAASA-N 2 1 331.464 1.830 20 0 EDADMP COCC[N@H+](CC(=O)NCCC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000879124791 597826991 /nfs/dbraw/zinc/82/69/91/597826991.db2.gz DEIYNVXCYUAJLZ-UHFFFAOYSA-N 2 1 327.513 1.829 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CC1(CS(C)(=O)=O)CC1 ZINC000879125637 597827134 /nfs/dbraw/zinc/82/71/34/597827134.db2.gz FIDFGTCUNLUFKY-UHFFFAOYSA-N 2 1 332.510 1.101 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)CC1 ZINC000880188625 597869991 /nfs/dbraw/zinc/86/99/91/597869991.db2.gz LXOXJQPKCYRVRG-ROUUACIJSA-N 2 1 328.460 1.114 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)CC1 ZINC000880188625 597869992 /nfs/dbraw/zinc/86/99/92/597869992.db2.gz LXOXJQPKCYRVRG-ROUUACIJSA-N 2 1 328.460 1.114 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC1(c2ncccn2)CCC1 ZINC000883770029 597895196 /nfs/dbraw/zinc/89/51/96/597895196.db2.gz IIQOKMVIAOYWTK-HNNXBMFYSA-N 2 1 348.495 1.427 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC1(c2ncccn2)CCC1 ZINC000883770029 597895197 /nfs/dbraw/zinc/89/51/97/597895197.db2.gz IIQOKMVIAOYWTK-HNNXBMFYSA-N 2 1 348.495 1.427 20 0 EDADMP CO[C@H]1COCC[C@H]1[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000880436275 597934207 /nfs/dbraw/zinc/93/42/07/597934207.db2.gz UEXQPOILRLGPGM-MOPGFXCFSA-N 2 1 334.460 1.755 20 0 EDADMP CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000880436275 597934209 /nfs/dbraw/zinc/93/42/09/597934209.db2.gz UEXQPOILRLGPGM-MOPGFXCFSA-N 2 1 334.460 1.755 20 0 EDADMP COc1cc(C[NH+]2CC=C[C@@H]2CO)cc(C[N@@H+]2CC=C[C@@H]2CO)c1 ZINC000880493001 597946561 /nfs/dbraw/zinc/94/65/61/597946561.db2.gz XNLDLDZUUJSXAL-QZTJIDSGSA-N 2 1 330.428 1.161 20 0 EDADMP COc1cc(C[NH+]2CC=C[C@@H]2CO)cc(C[N@H+]2CC=C[C@@H]2CO)c1 ZINC000880493001 597946562 /nfs/dbraw/zinc/94/65/62/597946562.db2.gz XNLDLDZUUJSXAL-QZTJIDSGSA-N 2 1 330.428 1.161 20 0 EDADMP O=S(=O)(CCn1ccnc1)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000882500092 597978990 /nfs/dbraw/zinc/97/89/90/597978990.db2.gz MRWHYINQLMLGQV-INIZCTEOSA-N 2 1 340.493 1.600 20 0 EDADMP COC(=O)c1cnc(NCC[N@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000882601087 598001321 /nfs/dbraw/zinc/00/13/21/598001321.db2.gz OAWPUCOKLXYXTL-UHFFFAOYSA-N 2 1 328.844 1.817 20 0 EDADMP COC(=O)c1cnc(NCC[N@@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000882601087 598001323 /nfs/dbraw/zinc/00/13/23/598001323.db2.gz OAWPUCOKLXYXTL-UHFFFAOYSA-N 2 1 328.844 1.817 20 0 EDADMP C[NH2+]CCOc1ccccc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000884195418 598023061 /nfs/dbraw/zinc/02/30/61/598023061.db2.gz LXFOUOZFWKIKDR-CQSZACIVSA-N 2 1 330.432 1.856 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CC3CC3)c2)CCO1 ZINC000884202462 598027316 /nfs/dbraw/zinc/02/73/16/598027316.db2.gz ZCMRRACXRVPOLQ-KDOFPFPSSA-N 2 1 331.460 1.651 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CC3CC3)c2)CCO1 ZINC000884202462 598027320 /nfs/dbraw/zinc/02/73/20/598027320.db2.gz ZCMRRACXRVPOLQ-KDOFPFPSSA-N 2 1 331.460 1.651 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000884219264 598032733 /nfs/dbraw/zinc/03/27/33/598032733.db2.gz LHFIVXIKDWAPMH-MRXNPFEDSA-N 2 1 333.476 1.993 20 0 EDADMP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000884261578 598046192 /nfs/dbraw/zinc/04/61/92/598046192.db2.gz OWZZFJOBTKOMKN-HOTGVXAUSA-N 2 1 343.475 1.952 20 0 EDADMP C[NH2+]CCOc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000884328296 598069420 /nfs/dbraw/zinc/06/94/20/598069420.db2.gz NMJRVYGCRNQMEC-DOTOQJQBSA-N 2 1 331.460 1.841 20 0 EDADMP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000884507731 598124462 /nfs/dbraw/zinc/12/44/62/598124462.db2.gz LBXYVHLQHWPBMN-HNNXBMFYSA-N 2 1 338.496 1.143 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000914190501 695266528 /nfs/dbraw/zinc/26/65/28/695266528.db2.gz SUVWCWBGJOEVPN-RKVPGOIHSA-N 2 1 330.476 1.825 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000914190501 695266529 /nfs/dbraw/zinc/26/65/29/695266529.db2.gz SUVWCWBGJOEVPN-RKVPGOIHSA-N 2 1 330.476 1.825 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000914190501 695266531 /nfs/dbraw/zinc/26/65/31/695266531.db2.gz SUVWCWBGJOEVPN-RKVPGOIHSA-N 2 1 330.476 1.825 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000914219912 695284371 /nfs/dbraw/zinc/28/43/71/695284371.db2.gz DXGPMRWHXPFHRN-YESZJQIVSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000914219912 695284373 /nfs/dbraw/zinc/28/43/73/695284373.db2.gz DXGPMRWHXPFHRN-YESZJQIVSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000914219912 695284375 /nfs/dbraw/zinc/28/43/75/695284375.db2.gz DXGPMRWHXPFHRN-YESZJQIVSA-N 2 1 336.480 1.166 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cn1 ZINC000914289471 695333527 /nfs/dbraw/zinc/33/35/27/695333527.db2.gz NXNVBGZMZHLVIZ-WFASDCNBSA-N 2 1 328.420 1.468 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cn1 ZINC000914289471 695333530 /nfs/dbraw/zinc/33/35/30/695333530.db2.gz NXNVBGZMZHLVIZ-WFASDCNBSA-N 2 1 328.420 1.468 20 0 EDADMP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000914314236 695351634 /nfs/dbraw/zinc/35/16/34/695351634.db2.gz PSFLKSVVBQFGID-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP CCOC1CC(C[NH+]2CC(NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001031049925 695381301 /nfs/dbraw/zinc/38/13/01/695381301.db2.gz SQTDPVIPOKGPHV-HJOIGYKYSA-N 2 1 337.508 1.866 20 0 EDADMP CCc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)cc(C)[nH+]1 ZINC001060476359 695406248 /nfs/dbraw/zinc/40/62/48/695406248.db2.gz FSGKFZZDZJRYPZ-LEBIPQMGSA-N 2 1 343.475 1.096 20 0 EDADMP CCc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cc(C)[nH+]1 ZINC001060476359 695406250 /nfs/dbraw/zinc/40/62/50/695406250.db2.gz FSGKFZZDZJRYPZ-LEBIPQMGSA-N 2 1 343.475 1.096 20 0 EDADMP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000923596833 695694679 /nfs/dbraw/zinc/69/46/79/695694679.db2.gz JVKZUGANNQYCSC-QGZVFWFLSA-N 2 1 343.537 1.656 20 0 EDADMP CN(C)c1ccccc1CN1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001031252613 696014307 /nfs/dbraw/zinc/01/43/07/696014307.db2.gz KBKQQOZNIUIVMP-OAHLLOKOSA-N 2 1 330.476 1.395 20 0 EDADMP Cc1oncc1C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993761884 696360978 /nfs/dbraw/zinc/36/09/78/696360978.db2.gz PAMVUSIMWJIGPQ-GUYCJALGSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1oncc1C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993761884 696360980 /nfs/dbraw/zinc/36/09/80/696360980.db2.gz PAMVUSIMWJIGPQ-GUYCJALGSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC3CCOCC3)C1)C2 ZINC001015705531 696597600 /nfs/dbraw/zinc/59/76/00/696597600.db2.gz MVZFHHLYBHLYDE-IAGOWNOFSA-N 2 1 346.475 1.371 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC3CCOCC3)C1)C2 ZINC001015705531 696597601 /nfs/dbraw/zinc/59/76/01/696597601.db2.gz MVZFHHLYBHLYDE-IAGOWNOFSA-N 2 1 346.475 1.371 20 0 EDADMP Cc1nc(C)c(CN2CC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)s1 ZINC001015708307 696625162 /nfs/dbraw/zinc/62/51/62/696625162.db2.gz DKTQEJDDSDYMRY-SWLSCSKDSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)s1 ZINC001015708307 696625167 /nfs/dbraw/zinc/62/51/67/696625167.db2.gz DKTQEJDDSDYMRY-SWLSCSKDSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)s1 ZINC001015708307 696625168 /nfs/dbraw/zinc/62/51/68/696625168.db2.gz DKTQEJDDSDYMRY-SWLSCSKDSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)s1 ZINC001015708307 696625170 /nfs/dbraw/zinc/62/51/70/696625170.db2.gz DKTQEJDDSDYMRY-SWLSCSKDSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000940008693 700110691 /nfs/dbraw/zinc/11/06/91/700110691.db2.gz YJRCLYGFVPWYET-INIZCTEOSA-N 2 1 333.480 1.293 20 0 EDADMP Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000940008620 700110295 /nfs/dbraw/zinc/11/02/95/700110295.db2.gz WAVPGYFZSMBPJC-KRWDZBQOSA-N 2 1 330.476 1.955 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994467474 696904038 /nfs/dbraw/zinc/90/40/38/696904038.db2.gz VMIPJHFCAYZXRD-MAUKXSAKSA-N 2 1 333.476 1.977 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccccc3)CC2)C1 ZINC000940024568 700123097 /nfs/dbraw/zinc/12/30/97/700123097.db2.gz LRSVYWGGJWPTDG-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccccc3)CC2)C1 ZINC000940024568 700123098 /nfs/dbraw/zinc/12/30/98/700123098.db2.gz LRSVYWGGJWPTDG-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000917570170 697040352 /nfs/dbraw/zinc/04/03/52/697040352.db2.gz GQIVFYYMLLLFJC-RDJZCZTQSA-N 2 1 333.480 1.715 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000918122215 697134090 /nfs/dbraw/zinc/13/40/90/697134090.db2.gz SUBPTGJYTJZWQS-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP Cc1cc(C)c(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C)c1 ZINC001031594279 697291697 /nfs/dbraw/zinc/29/16/97/697291697.db2.gz XSJHLWWBSIGFPQ-LJQANCHMSA-N 2 1 345.487 1.490 20 0 EDADMP Cc1cc(C)c(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C)c1 ZINC001031594279 697291698 /nfs/dbraw/zinc/29/16/98/697291698.db2.gz XSJHLWWBSIGFPQ-LJQANCHMSA-N 2 1 345.487 1.490 20 0 EDADMP Cc1cc(C)cc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC001031593773 697292705 /nfs/dbraw/zinc/29/27/05/697292705.db2.gz HNVSZAZXPAPNQX-SFHVURJKSA-N 2 1 331.460 1.182 20 0 EDADMP Cc1cc(C)cc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001031593773 697292707 /nfs/dbraw/zinc/29/27/07/697292707.db2.gz HNVSZAZXPAPNQX-SFHVURJKSA-N 2 1 331.460 1.182 20 0 EDADMP Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031595369 697293405 /nfs/dbraw/zinc/29/34/05/697293405.db2.gz VNSYDNIQQLJNAV-QAPCUYQASA-N 2 1 331.460 1.435 20 0 EDADMP Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031595369 697293406 /nfs/dbraw/zinc/29/34/06/697293406.db2.gz VNSYDNIQQLJNAV-QAPCUYQASA-N 2 1 331.460 1.435 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H]3CCCc4ccccc43)C2)C1 ZINC001031596110 697296131 /nfs/dbraw/zinc/29/61/31/697296131.db2.gz GPOKXLPNHNVVKR-RBUKOAKNSA-N 2 1 343.471 1.443 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H]3CCCc4ccccc43)C2)C1 ZINC001031596110 697296132 /nfs/dbraw/zinc/29/61/32/697296132.db2.gz GPOKXLPNHNVVKR-RBUKOAKNSA-N 2 1 343.471 1.443 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001031596271 697296803 /nfs/dbraw/zinc/29/68/03/697296803.db2.gz JJRWAAZHIUENHJ-SFHVURJKSA-N 2 1 342.443 1.047 20 0 EDADMP Cc1cccc([C@@H](C)[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC001031596747 697297321 /nfs/dbraw/zinc/29/73/21/697297321.db2.gz OWLFDUSIWPNKNP-CRAIPNDOSA-N 2 1 331.460 1.435 20 0 EDADMP Cc1cccc([C@@H](C)[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001031596747 697297322 /nfs/dbraw/zinc/29/73/22/697297322.db2.gz OWLFDUSIWPNKNP-CRAIPNDOSA-N 2 1 331.460 1.435 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@H]2CC(C)C)C1 ZINC000919634507 697307746 /nfs/dbraw/zinc/30/77/46/697307746.db2.gz JNHWEQKTMUAPTE-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)C1 ZINC000919634507 697307748 /nfs/dbraw/zinc/30/77/48/697307748.db2.gz JNHWEQKTMUAPTE-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)C1 ZINC000919634507 697307749 /nfs/dbraw/zinc/30/77/49/697307749.db2.gz JNHWEQKTMUAPTE-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN([C@H](C)c2cnccn2)C1 ZINC001031667041 697448237 /nfs/dbraw/zinc/44/82/37/697448237.db2.gz WJWDGDKUWLZPCX-RHSMWYFYSA-N 2 1 331.464 1.458 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668583 697461287 /nfs/dbraw/zinc/46/12/87/697461287.db2.gz KLHKFPXYDOPKEP-MJGOQNOKSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668583 697461288 /nfs/dbraw/zinc/46/12/88/697461288.db2.gz KLHKFPXYDOPKEP-MJGOQNOKSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1cnc([C@H](C)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001031681321 697504552 /nfs/dbraw/zinc/50/45/52/697504552.db2.gz MTQHKTGOTLYKIX-IJEWVQPXSA-N 2 1 331.464 1.234 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001031682740 697506800 /nfs/dbraw/zinc/50/68/00/697506800.db2.gz UPZRZHDAQLLHGT-RDTXWAMCSA-N 2 1 331.460 1.583 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000921435227 697611421 /nfs/dbraw/zinc/61/14/21/697611421.db2.gz XARNFLNBHUZCQA-OEAJRASXSA-N 2 1 338.521 1.348 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921435227 697611422 /nfs/dbraw/zinc/61/14/22/697611422.db2.gz XARNFLNBHUZCQA-OEAJRASXSA-N 2 1 338.521 1.348 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921435227 697611424 /nfs/dbraw/zinc/61/14/24/697611424.db2.gz XARNFLNBHUZCQA-OEAJRASXSA-N 2 1 338.521 1.348 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2snnc2C)C1 ZINC000995034982 700166641 /nfs/dbraw/zinc/16/66/41/700166641.db2.gz GIYFGUXZUVOUCH-KGLIPLIRSA-N 2 1 348.476 1.426 20 0 EDADMP O=C(NCC1C[NH+](CCn2cccn2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001031730134 698066005 /nfs/dbraw/zinc/06/60/05/698066005.db2.gz FIPIDXVMKRITHJ-SFHVURJKSA-N 2 1 345.491 1.338 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3cnsn3)CC2)CC[N@@H+]1C ZINC000940116618 700230818 /nfs/dbraw/zinc/23/08/18/700230818.db2.gz CWLCLDGCNCLQPD-TZMCWYRMSA-N 2 1 337.493 1.349 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3cnsn3)CC2)CC[N@H+]1C ZINC000940116618 700230821 /nfs/dbraw/zinc/23/08/21/700230821.db2.gz CWLCLDGCNCLQPD-TZMCWYRMSA-N 2 1 337.493 1.349 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000940120987 700254127 /nfs/dbraw/zinc/25/41/27/700254127.db2.gz WTTHSBHZTMLOOQ-TZMCWYRMSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939127034 699204547 /nfs/dbraw/zinc/20/45/47/699204547.db2.gz AXYOWXVRMQYCNK-SUMWQHHRSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939133302 699217876 /nfs/dbraw/zinc/21/78/76/699217876.db2.gz QRCSEFRWTGKDHS-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000939136873 699223403 /nfs/dbraw/zinc/22/34/03/699223403.db2.gz CPIVSBITQCPKJT-WBVHZDCISA-N 2 1 337.508 1.581 20 0 EDADMP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941566494 701585258 /nfs/dbraw/zinc/58/52/58/701585258.db2.gz FBWUJDJMTRCROV-SJORKVTESA-N 2 1 336.524 1.345 20 0 EDADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941604367 701593682 /nfs/dbraw/zinc/59/36/82/701593682.db2.gz XQIAFVKPDKASSQ-PKOBYXMFSA-N 2 1 346.519 1.242 20 0 EDADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC000939320684 699499255 /nfs/dbraw/zinc/49/92/55/699499255.db2.gz WZXHCKOSEWVPON-SJLPKXTDSA-N 2 1 346.475 1.049 20 0 EDADMP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000939544803 699686736 /nfs/dbraw/zinc/68/67/36/699686736.db2.gz MWSIOISGUUYAIV-ZFWWWQNUSA-N 2 1 344.459 1.584 20 0 EDADMP CC(C)C[NH+]1CC(N2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677361 701615930 /nfs/dbraw/zinc/61/59/30/701615930.db2.gz NHGXHZXKEYOCAY-CALCHBBNSA-N 2 1 336.524 1.344 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)s1 ZINC000939748823 699895871 /nfs/dbraw/zinc/89/58/71/699895871.db2.gz ROTIWMGIVABCLI-ABAIWWIYSA-N 2 1 333.461 1.593 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]CCc2ccns2)C1 ZINC000939755911 699922437 /nfs/dbraw/zinc/92/24/37/699922437.db2.gz RTXLCJMKGYNYBS-SWLSCSKDSA-N 2 1 333.461 1.327 20 0 EDADMP O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2cnsn2)C1)C12CC[NH+](CC1)C2 ZINC000995167204 701634771 /nfs/dbraw/zinc/63/47/71/701634771.db2.gz IKYLGYPPHBUXAG-OLZOCXBDSA-N 2 1 335.477 1.008 20 0 EDADMP CC1([NH2+]Cc2cccnc2)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000940377940 700575157 /nfs/dbraw/zinc/57/51/57/700575157.db2.gz HYTQPGNVSAMUKL-UHFFFAOYSA-N 2 1 346.475 1.275 20 0 EDADMP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940426052 700619648 /nfs/dbraw/zinc/61/96/48/700619648.db2.gz DJHPGIACRBKLRO-OAHLLOKOSA-N 2 1 348.495 1.111 20 0 EDADMP CCn1cc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC000940426477 700620060 /nfs/dbraw/zinc/62/00/60/700620060.db2.gz SBQRLSHAEYXLRU-HNNXBMFYSA-N 2 1 348.495 1.111 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]CC3CCOCC3)CC2)C1 ZINC000940426492 700620688 /nfs/dbraw/zinc/62/06/88/700620688.db2.gz SSRRCBPJWOLGKR-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ncc(C4CC4)o3)CC2)C1 ZINC000940457549 700661079 /nfs/dbraw/zinc/66/10/79/700661079.db2.gz KGEPATXVSLKDCT-OAHLLOKOSA-N 2 1 346.475 1.974 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)ncn1 ZINC000940625864 700787823 /nfs/dbraw/zinc/78/78/23/700787823.db2.gz VZJZMOLCHIDVRN-IAGOWNOFSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)ncn1 ZINC000940625864 700787824 /nfs/dbraw/zinc/78/78/24/700787824.db2.gz VZJZMOLCHIDVRN-IAGOWNOFSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)ncn1 ZINC000940625864 700787825 /nfs/dbraw/zinc/78/78/25/700787825.db2.gz VZJZMOLCHIDVRN-IAGOWNOFSA-N 2 1 345.491 1.596 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940798527 700916286 /nfs/dbraw/zinc/91/62/86/700916286.db2.gz IBPHQUIMGUFXBX-HZPDHXFCSA-N 2 1 325.497 1.173 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCO)CC2(C)C)C1 ZINC000940798527 700916288 /nfs/dbraw/zinc/91/62/88/700916288.db2.gz IBPHQUIMGUFXBX-HZPDHXFCSA-N 2 1 325.497 1.173 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCO)CC2(C)C)C1 ZINC000940798527 700916290 /nfs/dbraw/zinc/91/62/90/700916290.db2.gz IBPHQUIMGUFXBX-HZPDHXFCSA-N 2 1 325.497 1.173 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940842827 700938906 /nfs/dbraw/zinc/93/89/06/700938906.db2.gz QAZGMOTWXODAHN-IAGOWNOFSA-N 2 1 347.507 1.621 20 0 EDADMP Cn1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C(C)(C)C2)cn1 ZINC000940842827 700938907 /nfs/dbraw/zinc/93/89/07/700938907.db2.gz QAZGMOTWXODAHN-IAGOWNOFSA-N 2 1 347.507 1.621 20 0 EDADMP Cn1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C(C)(C)C2)cn1 ZINC000940842827 700938908 /nfs/dbraw/zinc/93/89/08/700938908.db2.gz QAZGMOTWXODAHN-IAGOWNOFSA-N 2 1 347.507 1.621 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940863900 700946199 /nfs/dbraw/zinc/94/61/99/700946199.db2.gz HKWZXPUJSLVDNC-HOTGVXAUSA-N 2 1 337.508 1.866 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000940993960 701029657 /nfs/dbraw/zinc/02/96/57/701029657.db2.gz PSCPDCWFWJMAML-GDBMZVCRSA-N 2 1 325.497 1.580 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940991970 701044528 /nfs/dbraw/zinc/04/45/28/701044528.db2.gz UPHHHHFQQGBMIB-OAHLLOKOSA-N 2 1 337.464 1.554 20 0 EDADMP Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941003771 701047240 /nfs/dbraw/zinc/04/72/40/701047240.db2.gz ZIEZLHZGBHFDMK-QGZVFWFLSA-N 2 1 347.507 1.479 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031920987 701060458 /nfs/dbraw/zinc/06/04/58/701060458.db2.gz DPPIEPBOKYSRMA-RDJZCZTQSA-N 2 1 330.476 1.668 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031920987 701060459 /nfs/dbraw/zinc/06/04/59/701060459.db2.gz DPPIEPBOKYSRMA-RDJZCZTQSA-N 2 1 330.476 1.668 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941078684 701140354 /nfs/dbraw/zinc/14/03/54/701140354.db2.gz ISZDQAYGXKZLLK-DOTOQJQBSA-N 2 1 339.524 1.970 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941163731 701228545 /nfs/dbraw/zinc/22/85/45/701228545.db2.gz PJOQDOFMRCYTIF-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1cc(C[NH+]2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)cn1 ZINC000941163731 701228547 /nfs/dbraw/zinc/22/85/47/701228547.db2.gz PJOQDOFMRCYTIF-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1cc(C[NH+]2CC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)cn1 ZINC000941163731 701228549 /nfs/dbraw/zinc/22/85/49/701228549.db2.gz PJOQDOFMRCYTIF-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941169103 701379812 /nfs/dbraw/zinc/37/98/12/701379812.db2.gz IWXSMKPGYFGCPR-XJKSGUPXSA-N 2 1 334.464 1.359 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941169103 701379813 /nfs/dbraw/zinc/37/98/13/701379813.db2.gz IWXSMKPGYFGCPR-XJKSGUPXSA-N 2 1 334.464 1.359 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1C[NH+](CC[C@@H]3CCOC3)C1)CC2 ZINC001031932074 701381564 /nfs/dbraw/zinc/38/15/64/701381564.db2.gz SBWOWQOWMYKHRG-NVXWUHKLSA-N 2 1 346.475 1.229 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCOC2)CC1(C)C ZINC000941224137 701414379 /nfs/dbraw/zinc/41/43/79/701414379.db2.gz REHHEGSGQHTARN-IRXDYDNUSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC1(C)C ZINC000941224137 701414381 /nfs/dbraw/zinc/41/43/81/701414381.db2.gz REHHEGSGQHTARN-IRXDYDNUSA-N 2 1 348.491 1.835 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941236899 701427519 /nfs/dbraw/zinc/42/75/19/701427519.db2.gz CNVZHJFUZMMEMH-CRAIPNDOSA-N 2 1 347.503 1.959 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)oc1C ZINC000999171608 706602085 /nfs/dbraw/zinc/60/20/85/706602085.db2.gz XEGWVKNIICOMGG-SJORKVTESA-N 2 1 346.475 1.714 20 0 EDADMP Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)c1 ZINC001031976793 701921196 /nfs/dbraw/zinc/92/11/96/701921196.db2.gz SOPDEUKHRMMYEM-PBHICJAKSA-N 2 1 333.451 1.880 20 0 EDADMP Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC001031976793 701921201 /nfs/dbraw/zinc/92/12/01/701921201.db2.gz SOPDEUKHRMMYEM-PBHICJAKSA-N 2 1 333.451 1.880 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)cc1F ZINC001031976464 701962161 /nfs/dbraw/zinc/96/21/61/701962161.db2.gz MMANZFOGDVCLAZ-RHSMWYFYSA-N 2 1 333.451 1.880 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cc1F ZINC001031976464 701962165 /nfs/dbraw/zinc/96/21/65/701962165.db2.gz MMANZFOGDVCLAZ-RHSMWYFYSA-N 2 1 333.451 1.880 20 0 EDADMP COc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)c1C ZINC001031976535 701966764 /nfs/dbraw/zinc/96/67/64/701966764.db2.gz OAXBSIFLSQXPMU-KDOFPFPSSA-N 2 1 345.487 1.749 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000999190391 706632955 /nfs/dbraw/zinc/63/29/55/706632955.db2.gz QRDJTILMPQHSGO-HYVNUMGLSA-N 2 1 346.475 1.511 20 0 EDADMP CC(C)c1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)n1 ZINC001031977208 702014785 /nfs/dbraw/zinc/01/47/85/702014785.db2.gz AVYGVJVSODSAII-QAPCUYQASA-N 2 1 344.503 1.951 20 0 EDADMP CC(C)c1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)n1 ZINC001031977208 702014790 /nfs/dbraw/zinc/01/47/90/702014790.db2.gz AVYGVJVSODSAII-QAPCUYQASA-N 2 1 344.503 1.951 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000995802116 702046981 /nfs/dbraw/zinc/04/69/81/702046981.db2.gz NROBAVNAQQASEM-JKSUJKDBSA-N 2 1 345.491 1.676 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000995802116 702046989 /nfs/dbraw/zinc/04/69/89/702046989.db2.gz NROBAVNAQQASEM-JKSUJKDBSA-N 2 1 345.491 1.676 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825188 702096522 /nfs/dbraw/zinc/09/65/22/702096522.db2.gz RDZCAWOEBVHPRO-GDBMZVCRSA-N 2 1 347.463 1.046 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3cncn3C)C(C)(C)C2)CC[N@H+]1C ZINC000995825564 702097364 /nfs/dbraw/zinc/09/73/64/702097364.db2.gz ODTOJYPBAWJILJ-BMFZPTHFSA-N 2 1 333.480 1.087 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cscn3)C2)CC[N@H+]1C ZINC000999199919 706643683 /nfs/dbraw/zinc/64/36/83/706643683.db2.gz IKIZAUYDMCTNMA-VNQPRFMTSA-N 2 1 336.505 1.954 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cscn3)C2)CC[N@@H+]1C ZINC000999199919 706643686 /nfs/dbraw/zinc/64/36/86/706643686.db2.gz IKIZAUYDMCTNMA-VNQPRFMTSA-N 2 1 336.505 1.954 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cscn3)C2)CC[N@H+]1C ZINC000999199919 706643688 /nfs/dbraw/zinc/64/36/88/706643688.db2.gz IKIZAUYDMCTNMA-VNQPRFMTSA-N 2 1 336.505 1.954 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nccnc3C)C2)CC[N@H+]1C ZINC000999200688 706644895 /nfs/dbraw/zinc/64/48/95/706644895.db2.gz OIFSKICVHFUZHO-XYJFISCASA-N 2 1 345.491 1.596 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2nnc(C)[nH]2)C(C)(C)C1 ZINC000995869658 702168347 /nfs/dbraw/zinc/16/83/47/702168347.db2.gz HECMXVXWZWAREA-GJZGRUSLSA-N 2 1 348.495 1.314 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)[nH]2)C(C)(C)C1 ZINC000995869658 702168351 /nfs/dbraw/zinc/16/83/51/702168351.db2.gz HECMXVXWZWAREA-GJZGRUSLSA-N 2 1 348.495 1.314 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)[nH]2)C(C)(C)C1 ZINC000995869658 702168354 /nfs/dbraw/zinc/16/83/54/702168354.db2.gz HECMXVXWZWAREA-GJZGRUSLSA-N 2 1 348.495 1.314 20 0 EDADMP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]Cc3nccs3)C(C)(C)C2)CCC1 ZINC000995899342 702204940 /nfs/dbraw/zinc/20/49/40/702204940.db2.gz WCIDWAIKMSSURN-ZDUSSCGKSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)co1 ZINC000995900752 702206907 /nfs/dbraw/zinc/20/69/07/702206907.db2.gz ZBFQWHYAQUKMEW-CVEARBPZSA-N 2 1 334.464 1.650 20 0 EDADMP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995919314 702239593 /nfs/dbraw/zinc/23/95/93/702239593.db2.gz YQBCPYVMHSXLEF-LSDHHAIUSA-N 2 1 348.495 1.016 20 0 EDADMP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995919314 702239596 /nfs/dbraw/zinc/23/95/96/702239596.db2.gz YQBCPYVMHSXLEF-LSDHHAIUSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995924726 702250140 /nfs/dbraw/zinc/25/01/40/702250140.db2.gz JMBMDSNJLVIADX-HOTGVXAUSA-N 2 1 336.480 1.896 20 0 EDADMP Cn1ccnc1C[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995914070 702273298 /nfs/dbraw/zinc/27/32/98/702273298.db2.gz KNAWRNIXCMASNE-CVEARBPZSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)sn1 ZINC000944168256 702407906 /nfs/dbraw/zinc/40/79/06/702407906.db2.gz IGLVXTSHFQNWJO-CJNGLKHVSA-N 2 1 348.516 1.874 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CCC2)CC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942058122 702508921 /nfs/dbraw/zinc/50/89/21/702508921.db2.gz UBHWTYBDRNKRST-NVXWUHKLSA-N 2 1 347.507 1.685 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccnc2C)C1 ZINC000995202259 702565087 /nfs/dbraw/zinc/56/50/87/702565087.db2.gz UMDXPTMEVAHNEY-WMZOPIPTSA-N 2 1 341.459 1.970 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000999225465 706682536 /nfs/dbraw/zinc/68/25/36/706682536.db2.gz UWGKYXPUVIJKBK-UHFFFAOYSA-N 2 1 334.464 1.936 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942098989 702593836 /nfs/dbraw/zinc/59/38/36/702593836.db2.gz FGITYBUEGXGPSU-DZGCQCFKSA-N 2 1 339.505 1.896 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)oc1C ZINC000996245660 702649456 /nfs/dbraw/zinc/64/94/56/702649456.db2.gz GBICEMJKECUAIN-INIZCTEOSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996249533 702651738 /nfs/dbraw/zinc/65/17/38/702651738.db2.gz PTBZVUIGAAKVMF-OAHLLOKOSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2(C)C)[nH]1 ZINC000996250183 702652170 /nfs/dbraw/zinc/65/21/70/702652170.db2.gz VLMJSOGUEUXJIY-DZGCQCFKSA-N 2 1 336.484 1.026 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)n1 ZINC000996251277 702653017 /nfs/dbraw/zinc/65/30/17/702653017.db2.gz YJZPLARQOXPJHO-INIZCTEOSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)n1 ZINC000996251279 702653065 /nfs/dbraw/zinc/65/30/65/702653065.db2.gz YJZPLARQOXPJHO-MRXNPFEDSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000996299740 702690659 /nfs/dbraw/zinc/69/06/59/702690659.db2.gz DLPQPAJBTGACGR-DZGCQCFKSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)nn1C ZINC000996299690 702690719 /nfs/dbraw/zinc/69/07/19/702690719.db2.gz CGBUYQDKVPUYTF-PBHICJAKSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996302579 702694660 /nfs/dbraw/zinc/69/46/60/702694660.db2.gz XJOFSWXBDGGJJE-DOMZBBRYSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC000996302579 702694663 /nfs/dbraw/zinc/69/46/63/702694663.db2.gz XJOFSWXBDGGJJE-DOMZBBRYSA-N 2 1 335.452 1.189 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]([NH2+]C[C@@H]3CCOC3)C(C)(C)C2)C1 ZINC000996311180 702700399 /nfs/dbraw/zinc/70/03/99/702700399.db2.gz QHSYZGPVSPOIGL-HOTGVXAUSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC000995212127 702701200 /nfs/dbraw/zinc/70/12/00/702701200.db2.gz OLMWAMWUJMQPBQ-SJORKVTESA-N 2 1 334.464 1.493 20 0 EDADMP CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C)C(N)=O ZINC000996378756 702744578 /nfs/dbraw/zinc/74/45/78/702744578.db2.gz YRCKRXZCVIYOIL-ZIAGYGMSSA-N 2 1 349.479 1.097 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942260243 702769816 /nfs/dbraw/zinc/76/98/16/702769816.db2.gz XXTXUALOYNBGBH-WBVHZDCISA-N 2 1 345.491 1.375 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000996608680 702911945 /nfs/dbraw/zinc/91/19/45/702911945.db2.gz SWXFJETWJMMVHA-SQWLQELKSA-N 2 1 334.464 1.965 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996614390 702919773 /nfs/dbraw/zinc/91/97/73/702919773.db2.gz NAQHNWWQXIGAQI-GOEBONIOSA-N 2 1 334.464 1.570 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)CC[N@H+]1C ZINC000996609886 702920747 /nfs/dbraw/zinc/92/07/47/702920747.db2.gz XCNVFCIXEIQJTF-DNVCBOLYSA-N 2 1 345.487 1.600 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000996667735 702964808 /nfs/dbraw/zinc/96/48/08/702964808.db2.gz XPHPLMPMWQNNNF-OAHLLOKOSA-N 2 1 349.479 1.437 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCOCC1 ZINC001032315892 702981386 /nfs/dbraw/zinc/98/13/86/702981386.db2.gz ZWMWXUVYLJHODA-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCOCC1 ZINC001032315892 702981388 /nfs/dbraw/zinc/98/13/88/702981388.db2.gz ZWMWXUVYLJHODA-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCOCC1 ZINC001032315892 702981390 /nfs/dbraw/zinc/98/13/90/702981390.db2.gz ZWMWXUVYLJHODA-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996686959 702984350 /nfs/dbraw/zinc/98/43/50/702984350.db2.gz DQNMDKFAOGTMFN-INIZCTEOSA-N 2 1 331.464 1.432 20 0 EDADMP Cc1cncn1CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2C)C[C@H]1C ZINC000942518349 703013036 /nfs/dbraw/zinc/01/30/36/703013036.db2.gz QOIAFCWPJGGGBG-KDOFPFPSSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2C)C[C@H]1C ZINC000942518349 703013042 /nfs/dbraw/zinc/01/30/42/703013042.db2.gz QOIAFCWPJGGGBG-KDOFPFPSSA-N 2 1 341.459 1.922 20 0 EDADMP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000996728519 703023655 /nfs/dbraw/zinc/02/36/55/703023655.db2.gz KSAITKJHGPPAHX-HNNXBMFYSA-N 2 1 347.463 1.512 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000996728519 703023656 /nfs/dbraw/zinc/02/36/56/703023656.db2.gz KSAITKJHGPPAHX-HNNXBMFYSA-N 2 1 347.463 1.512 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996730409 703027145 /nfs/dbraw/zinc/02/71/45/703027145.db2.gz SFUQGLHSRPMHLP-QGZVFWFLSA-N 2 1 334.439 1.786 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)n2)CC1 ZINC000996765930 703057094 /nfs/dbraw/zinc/05/70/94/703057094.db2.gz WXQBWSYAMYAGAE-KRWDZBQOSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+][C@@H](C)c2cnc(C)cn2)CC1 ZINC000996800009 703086260 /nfs/dbraw/zinc/08/62/60/703086260.db2.gz CZSJQEQSPYNANI-HNNXBMFYSA-N 2 1 342.447 1.632 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)c(C)o1 ZINC000942597039 703111496 /nfs/dbraw/zinc/11/14/96/703111496.db2.gz IDWMNMCEAJLMOP-DYVFJYSZSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)c(C)o1 ZINC000942597039 703111500 /nfs/dbraw/zinc/11/15/00/703111500.db2.gz IDWMNMCEAJLMOP-DYVFJYSZSA-N 2 1 348.491 1.960 20 0 EDADMP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032042373 703198674 /nfs/dbraw/zinc/19/86/74/703198674.db2.gz BKPPQRDTPAQAGO-WMZOPIPTSA-N 2 1 335.492 1.620 20 0 EDADMP CCn1ccc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996976277 703241502 /nfs/dbraw/zinc/24/15/02/703241502.db2.gz CDNMEQFAIKSXBZ-CRAIPNDOSA-N 2 1 347.507 1.714 20 0 EDADMP CCn1ccc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000996976277 703241504 /nfs/dbraw/zinc/24/15/04/703241504.db2.gz CDNMEQFAIKSXBZ-CRAIPNDOSA-N 2 1 347.507 1.714 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC([NH2+]Cc3ccon3)CC1)C2 ZINC000996998437 703255414 /nfs/dbraw/zinc/25/54/14/703255414.db2.gz JRFALWYBYHQPJM-AWEZNQCLSA-N 2 1 343.431 1.523 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1)c1ncccn1 ZINC000997000277 703257178 /nfs/dbraw/zinc/25/71/78/703257178.db2.gz OQIMBBPWXBTHJW-LSDHHAIUSA-N 2 1 331.464 1.603 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)s1 ZINC000996996239 703259551 /nfs/dbraw/zinc/25/95/51/703259551.db2.gz WTGKOSUCFMOUNU-CYBMUJFWSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)s1 ZINC000997006183 703263613 /nfs/dbraw/zinc/26/36/13/703263613.db2.gz FFZCENCLJIVFJS-RISCZKNCSA-N 2 1 337.493 1.125 20 0 EDADMP CCc1nocc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000997007330 703264799 /nfs/dbraw/zinc/26/47/99/703264799.db2.gz QFVURUGREIWKEF-AWEZNQCLSA-N 2 1 334.464 1.659 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000997008511 703266462 /nfs/dbraw/zinc/26/64/62/703266462.db2.gz MXOZRZGREDDAJR-RDTXWAMCSA-N 2 1 345.491 1.108 20 0 EDADMP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997009220 703269648 /nfs/dbraw/zinc/26/96/48/703269648.db2.gz YUOIMYPCVFTNTA-AWEZNQCLSA-N 2 1 348.495 1.029 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)sn1 ZINC000997012728 703272493 /nfs/dbraw/zinc/27/24/93/703272493.db2.gz YFKLZSVSIDAOPU-WBMJQRKESA-N 2 1 336.505 1.730 20 0 EDADMP CC(C)c1nccn1CC(=O)N1CCC(NCc2ccon2)CC1 ZINC000997056244 703302048 /nfs/dbraw/zinc/30/20/48/703302048.db2.gz ZOWDICVMNIUYMY-UHFFFAOYSA-N 2 1 331.420 1.775 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000997060174 703305468 /nfs/dbraw/zinc/30/54/68/703305468.db2.gz FWXPJZSLXHDMMU-INIZCTEOSA-N 2 1 335.452 1.413 20 0 EDADMP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001032411728 703447551 /nfs/dbraw/zinc/44/75/51/703447551.db2.gz WMNQYNCNPVSSKK-QSOKESPWSA-N 2 1 343.471 1.821 20 0 EDADMP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001032411728 703447553 /nfs/dbraw/zinc/44/75/53/703447553.db2.gz WMNQYNCNPVSSKK-QSOKESPWSA-N 2 1 343.471 1.821 20 0 EDADMP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001032411728 703447554 /nfs/dbraw/zinc/44/75/54/703447554.db2.gz WMNQYNCNPVSSKK-QSOKESPWSA-N 2 1 343.471 1.821 20 0 EDADMP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001032411728 703447556 /nfs/dbraw/zinc/44/75/56/703447556.db2.gz WMNQYNCNPVSSKK-QSOKESPWSA-N 2 1 343.471 1.821 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997185859 703475124 /nfs/dbraw/zinc/47/51/24/703475124.db2.gz SXTJGNMCBZJSJF-KGLIPLIRSA-N 2 1 348.495 1.351 20 0 EDADMP CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997228347 703504027 /nfs/dbraw/zinc/50/40/27/703504027.db2.gz GMFDNJUNQCTWMT-RXHUYCNISA-N 2 1 335.492 1.476 20 0 EDADMP Cn1c(Cl)cnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997300892 703544493 /nfs/dbraw/zinc/54/44/93/703544493.db2.gz YYWXMACRDRWBIG-GFCCVEGCSA-N 2 1 339.871 1.106 20 0 EDADMP Cn1cc(Cl)c(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997297925 703556130 /nfs/dbraw/zinc/55/61/30/703556130.db2.gz HJUUTHJESUTUDO-LBPRGKRZSA-N 2 1 339.871 1.106 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000997307544 703565972 /nfs/dbraw/zinc/56/59/72/703565972.db2.gz UMXLINNMWORYNB-UHFFFAOYSA-N 2 1 335.452 1.199 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000997361132 703598447 /nfs/dbraw/zinc/59/84/47/703598447.db2.gz SZVIHJOHDVSURF-OKILXGFUSA-N 2 1 349.479 1.585 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000997361132 703598449 /nfs/dbraw/zinc/59/84/49/703598449.db2.gz SZVIHJOHDVSURF-OKILXGFUSA-N 2 1 349.479 1.585 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997361432 703598820 /nfs/dbraw/zinc/59/88/20/703598820.db2.gz VCRZEBVWDLTWEE-GASCZTMLSA-N 2 1 347.507 1.682 20 0 EDADMP C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC[NH+](CCO)CC1 ZINC000997368512 703606452 /nfs/dbraw/zinc/60/64/52/703606452.db2.gz SYAJAXITJGWSMY-CQSZACIVSA-N 2 1 343.431 1.090 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCn2cccn2)C1 ZINC001032440777 703610983 /nfs/dbraw/zinc/61/09/83/703610983.db2.gz UTQQNTYRLUVOSF-SQNIBIBYSA-N 2 1 345.491 1.146 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCn2cccn2)C1 ZINC001032440777 703610984 /nfs/dbraw/zinc/61/09/84/703610984.db2.gz UTQQNTYRLUVOSF-SQNIBIBYSA-N 2 1 345.491 1.146 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCn2cccn2)C1 ZINC001032440777 703610986 /nfs/dbraw/zinc/61/09/86/703610986.db2.gz UTQQNTYRLUVOSF-SQNIBIBYSA-N 2 1 345.491 1.146 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCn2cccn2)C1 ZINC001032440777 703610987 /nfs/dbraw/zinc/61/09/87/703610987.db2.gz UTQQNTYRLUVOSF-SQNIBIBYSA-N 2 1 345.491 1.146 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032444146 703621034 /nfs/dbraw/zinc/62/10/34/703621034.db2.gz NCNZUJKRANWOSD-BZSNNMDCSA-N 2 1 345.491 1.289 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032444146 703621036 /nfs/dbraw/zinc/62/10/36/703621036.db2.gz NCNZUJKRANWOSD-BZSNNMDCSA-N 2 1 345.491 1.289 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCC1 ZINC001032444332 703621439 /nfs/dbraw/zinc/62/14/39/703621439.db2.gz VLNVIPZFQGXRKW-FHWLQOOXSA-N 2 1 347.503 1.715 20 0 EDADMP O=C([C@@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC1 ZINC001032444332 703621440 /nfs/dbraw/zinc/62/14/40/703621440.db2.gz VLNVIPZFQGXRKW-FHWLQOOXSA-N 2 1 347.503 1.715 20 0 EDADMP O=C([C@@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC1 ZINC001032444332 703621441 /nfs/dbraw/zinc/62/14/41/703621441.db2.gz VLNVIPZFQGXRKW-FHWLQOOXSA-N 2 1 347.503 1.715 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cncs2)CC1 ZINC000997419532 703669921 /nfs/dbraw/zinc/66/99/21/703669921.db2.gz AKNFNRAKBWXOSK-UKRRQHHQSA-N 2 1 336.505 1.812 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCOCC1 ZINC001032493545 703779024 /nfs/dbraw/zinc/77/90/24/703779024.db2.gz YJWWYJDYJUECGL-FHWLQOOXSA-N 2 1 349.519 1.819 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032493545 703779025 /nfs/dbraw/zinc/77/90/25/703779025.db2.gz YJWWYJDYJUECGL-FHWLQOOXSA-N 2 1 349.519 1.819 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032493545 703779026 /nfs/dbraw/zinc/77/90/26/703779026.db2.gz YJWWYJDYJUECGL-FHWLQOOXSA-N 2 1 349.519 1.819 20 0 EDADMP COc1ccnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000997608769 703907846 /nfs/dbraw/zinc/90/78/46/703907846.db2.gz WSCIQQAOAOUREP-SFHVURJKSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000997608763 703907925 /nfs/dbraw/zinc/90/79/25/703907925.db2.gz WSCIQQAOAOUREP-GOSISDBHSA-N 2 1 346.475 1.513 20 0 EDADMP COc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)on1 ZINC000995555180 703974324 /nfs/dbraw/zinc/97/43/24/703974324.db2.gz YOOKPFRIRWYQQN-KGLIPLIRSA-N 2 1 336.436 1.104 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001033092808 704169478 /nfs/dbraw/zinc/16/94/78/704169478.db2.gz VOLXQTMMKLIOAP-BZUAXINKSA-N 2 1 348.491 1.918 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001033092808 704169481 /nfs/dbraw/zinc/16/94/81/704169481.db2.gz VOLXQTMMKLIOAP-BZUAXINKSA-N 2 1 348.491 1.918 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001033092808 704169484 /nfs/dbraw/zinc/16/94/84/704169484.db2.gz VOLXQTMMKLIOAP-BZUAXINKSA-N 2 1 348.491 1.918 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001033092808 704169486 /nfs/dbraw/zinc/16/94/86/704169486.db2.gz VOLXQTMMKLIOAP-BZUAXINKSA-N 2 1 348.491 1.918 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cnc(C)nc3)C2)CC[N@@H+]1C ZINC001033100244 704228283 /nfs/dbraw/zinc/22/82/83/704228283.db2.gz WLSWEXJECCBOSS-FGTMMUONSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cnc(C)nc3)C2)CC[N@H+]1C ZINC001033100244 704228284 /nfs/dbraw/zinc/22/82/84/704228284.db2.gz WLSWEXJECCBOSS-FGTMMUONSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnc(C)nc3)C2)CC[NH+]1C ZINC001033100244 704228287 /nfs/dbraw/zinc/22/82/87/704228287.db2.gz WLSWEXJECCBOSS-FGTMMUONSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnc(C)nc3)C2)CC[NH+]1C ZINC001033100244 704228290 /nfs/dbraw/zinc/22/82/90/704228290.db2.gz WLSWEXJECCBOSS-FGTMMUONSA-N 2 1 345.491 1.548 20 0 EDADMP CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598069 704310751 /nfs/dbraw/zinc/31/07/51/704310751.db2.gz WQEWUNFTJSFESG-XMTFNYHQSA-N 2 1 335.492 1.428 20 0 EDADMP CC(C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598069 704310754 /nfs/dbraw/zinc/31/07/54/704310754.db2.gz WQEWUNFTJSFESG-XMTFNYHQSA-N 2 1 335.492 1.428 20 0 EDADMP CC(C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598069 704310757 /nfs/dbraw/zinc/31/07/57/704310757.db2.gz WQEWUNFTJSFESG-XMTFNYHQSA-N 2 1 335.492 1.428 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000999307410 706807741 /nfs/dbraw/zinc/80/77/41/706807741.db2.gz OFBAMEKGZIVDCC-DOTOQJQBSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000999307410 706807744 /nfs/dbraw/zinc/80/77/44/706807744.db2.gz OFBAMEKGZIVDCC-DOTOQJQBSA-N 2 1 348.495 1.253 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCC3CC3)CC2)C1 ZINC001004380737 704346616 /nfs/dbraw/zinc/34/66/16/704346616.db2.gz PEUNKNOTTXSOIP-OALUTQOASA-N 2 1 349.519 1.820 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCC3CC3)CC2)C1 ZINC001004380737 704346618 /nfs/dbraw/zinc/34/66/18/704346618.db2.gz PEUNKNOTTXSOIP-OALUTQOASA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CCC3CC3)CC2)C1 ZINC001004380737 704346620 /nfs/dbraw/zinc/34/66/20/704346620.db2.gz PEUNKNOTTXSOIP-OALUTQOASA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CCC3CC3)CC2)C1 ZINC001004380737 704346622 /nfs/dbraw/zinc/34/66/22/704346622.db2.gz PEUNKNOTTXSOIP-OALUTQOASA-N 2 1 349.519 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000999310374 706813306 /nfs/dbraw/zinc/81/33/06/706813306.db2.gz XXQULHNBDNEDHB-MSOLQXFVSA-N 2 1 347.507 1.418 20 0 EDADMP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2(C)C)c1 ZINC000995609439 704575054 /nfs/dbraw/zinc/57/50/54/704575054.db2.gz XQJZWCSIYORBMB-IAGOWNOFSA-N 2 1 346.475 1.047 20 0 EDADMP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2(C)C)c1 ZINC000995609439 704575055 /nfs/dbraw/zinc/57/50/55/704575055.db2.gz XQJZWCSIYORBMB-IAGOWNOFSA-N 2 1 346.475 1.047 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)C2CC[NH+](CCO)CC2)C1 ZINC000997726813 704616642 /nfs/dbraw/zinc/61/66/42/704616642.db2.gz VPQXTQJRHIYOQQ-RDJZCZTQSA-N 2 1 325.497 1.317 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3cncc(F)c3)CC2)CC[N@H+]1C ZINC000997784132 704687990 /nfs/dbraw/zinc/68/79/90/704687990.db2.gz BQLQVAADKBNQDB-RDTXWAMCSA-N 2 1 348.466 1.889 20 0 EDADMP O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000997804394 704716326 /nfs/dbraw/zinc/71/63/26/704716326.db2.gz RFMMPICOXUVYEN-RTBURBONSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000997829734 704748504 /nfs/dbraw/zinc/74/85/04/704748504.db2.gz BTGQNWWWRLIZBC-UHFFFAOYSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1nonc1C[NH+]1CCC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997836294 704753658 /nfs/dbraw/zinc/75/36/58/704753658.db2.gz IENKBWMQCZPNQX-ZDUSSCGKSA-N 2 1 347.463 1.191 20 0 EDADMP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000997863671 704771087 /nfs/dbraw/zinc/77/10/87/704771087.db2.gz CZWLFZVDVUPMSN-HNNXBMFYSA-N 2 1 335.452 1.191 20 0 EDADMP C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000945094959 705066739 /nfs/dbraw/zinc/06/67/39/705066739.db2.gz ZCHRSONJCMBIJX-YJBOKZPZSA-N 2 1 333.476 1.571 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000998066932 705279690 /nfs/dbraw/zinc/27/96/90/705279690.db2.gz RENGQJBGPWUIDC-AGYKMIKPSA-N 2 1 349.519 1.961 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CCC[NH+](C(C)C)CC1 ZINC000998066932 705279694 /nfs/dbraw/zinc/27/96/94/705279694.db2.gz RENGQJBGPWUIDC-AGYKMIKPSA-N 2 1 349.519 1.961 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CCC[NH+](C(C)C)CC1 ZINC000998066932 705279697 /nfs/dbraw/zinc/27/96/97/705279697.db2.gz RENGQJBGPWUIDC-AGYKMIKPSA-N 2 1 349.519 1.961 20 0 EDADMP Cc1nocc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998076722 705296855 /nfs/dbraw/zinc/29/68/55/705296855.db2.gz CRZIHWLNVPBBPO-GUYCJALGSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)[nH]1 ZINC000998080843 705300555 /nfs/dbraw/zinc/30/05/55/705300555.db2.gz DRVFPKDNQQWYGY-KGLIPLIRSA-N 2 1 348.495 1.344 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1 ZINC000998081220 705301217 /nfs/dbraw/zinc/30/12/17/705301217.db2.gz HCOFPFQEHXMRPX-HNNXBMFYSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC000998080190 705304810 /nfs/dbraw/zinc/30/48/10/705304810.db2.gz YKXSDUKGEZXCMX-RDTXWAMCSA-N 2 1 345.491 1.311 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)on1 ZINC000998082433 705309530 /nfs/dbraw/zinc/30/95/30/705309530.db2.gz OZXCNCIHAFCTQI-HNNXBMFYSA-N 2 1 334.464 1.796 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000998083533 705312566 /nfs/dbraw/zinc/31/25/66/705312566.db2.gz VWZHXYLAWSYDQR-CQSZACIVSA-N 2 1 349.479 1.302 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000998083533 705312570 /nfs/dbraw/zinc/31/25/70/705312570.db2.gz VWZHXYLAWSYDQR-CQSZACIVSA-N 2 1 349.479 1.302 20 0 EDADMP CCOC1CC(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000998266024 705638052 /nfs/dbraw/zinc/63/80/52/705638052.db2.gz OODZXLODWXANNP-ADKAHSJRSA-N 2 1 337.508 1.581 20 0 EDADMP CCc1nocc1C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000998269963 705647512 /nfs/dbraw/zinc/64/75/12/705647512.db2.gz SJJKAIHANJSORU-UHFFFAOYSA-N 2 1 345.447 1.770 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000998270612 705649195 /nfs/dbraw/zinc/64/91/95/705649195.db2.gz VYLFVZAVGVXDEK-QGZVFWFLSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC000998279718 705670511 /nfs/dbraw/zinc/67/05/11/705670511.db2.gz JZFYXCIWTIJKGU-ZIAGYGMSSA-N 2 1 344.381 1.971 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000998286109 705680333 /nfs/dbraw/zinc/68/03/33/705680333.db2.gz FSSJTRYXXHLGIQ-IYBDPMFKSA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)c1ccc(F)cc1)[NH+](C)C ZINC001032633880 705866039 /nfs/dbraw/zinc/86/60/39/705866039.db2.gz YYHKDEFQQUEQTM-XSLAGTTESA-N 2 1 349.450 1.484 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)c1ccc(F)cc1)[NH+](C)C ZINC001032633880 705866043 /nfs/dbraw/zinc/86/60/43/705866043.db2.gz YYHKDEFQQUEQTM-XSLAGTTESA-N 2 1 349.450 1.484 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](OC)C1CCCC1)[NH+](C)C ZINC001032634251 705880791 /nfs/dbraw/zinc/88/07/91/705880791.db2.gz HUWZFVKOLZNIHC-XLAORIBOSA-N 2 1 337.508 1.817 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(CO)cc1)[NH+](C)C ZINC001032635252 705926551 /nfs/dbraw/zinc/92/65/51/705926551.db2.gz YZHKGXLVPONUAV-BZSNNMDCSA-N 2 1 331.460 1.304 20 0 EDADMP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC000998549600 705985832 /nfs/dbraw/zinc/98/58/32/705985832.db2.gz LPMLDQRBWXHGRN-JCYILVPMSA-N 2 1 333.480 1.119 20 0 EDADMP CC(C)Cn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998720199 706152779 /nfs/dbraw/zinc/15/27/79/706152779.db2.gz IRGRAHFLIHFMSE-HZPDHXFCSA-N 2 1 348.495 1.109 20 0 EDADMP CC(C)Cn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998720199 706152785 /nfs/dbraw/zinc/15/27/85/706152785.db2.gz IRGRAHFLIHFMSE-HZPDHXFCSA-N 2 1 348.495 1.109 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2nc(C3CCC3)no2)C1 ZINC000998730182 706162481 /nfs/dbraw/zinc/16/24/81/706162481.db2.gz JEUIARZIPFZYDK-HUUCEWRRSA-N 2 1 347.463 1.512 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccsc3)C2)O1 ZINC000998982697 706401994 /nfs/dbraw/zinc/40/19/94/706401994.db2.gz GVUWIUODLKOLLO-TWRYWWQQSA-N 2 1 337.489 1.546 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccsc3)C2)O1 ZINC000998982697 706401996 /nfs/dbraw/zinc/40/19/96/706401996.db2.gz GVUWIUODLKOLLO-TWRYWWQQSA-N 2 1 337.489 1.546 20 0 EDADMP COc1nccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000998995442 706413019 /nfs/dbraw/zinc/41/30/19/706413019.db2.gz SMSOXGMFPOFIIK-UYSNPLJNSA-N 2 1 347.463 1.049 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CC([NH2+]Cc2ncccn2)C1 ZINC000998988647 706420605 /nfs/dbraw/zinc/42/06/05/706420605.db2.gz XTRVWYJWMFUAQJ-UHFFFAOYSA-N 2 1 343.475 1.432 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]Cc2csnn2)C1 ZINC000999050178 706470612 /nfs/dbraw/zinc/47/06/12/706470612.db2.gz KVNXJCOFYZUIFK-UHFFFAOYSA-N 2 1 335.477 1.246 20 0 EDADMP CCn1ncc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000999052475 706473606 /nfs/dbraw/zinc/47/36/06/706473606.db2.gz XJYFZKWSOUVNAF-UHFFFAOYSA-N 2 1 346.479 1.005 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)no1 ZINC000999142953 706556754 /nfs/dbraw/zinc/55/67/54/706556754.db2.gz DQWVXPYPLKEEGJ-DOTOQJQBSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)no1 ZINC000999142953 706556756 /nfs/dbraw/zinc/55/67/56/706556756.db2.gz DQWVXPYPLKEEGJ-DOTOQJQBSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)no1 ZINC000999142957 706556765 /nfs/dbraw/zinc/55/67/65/706556765.db2.gz DQWVXPYPLKEEGJ-WBVHZDCISA-N 2 1 334.464 1.936 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)no1 ZINC000999142957 706556767 /nfs/dbraw/zinc/55/67/67/706556767.db2.gz DQWVXPYPLKEEGJ-WBVHZDCISA-N 2 1 334.464 1.936 20 0 EDADMP Cc1nonc1CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000999350011 706862400 /nfs/dbraw/zinc/86/24/00/706862400.db2.gz VSMMWADVUCWDHR-JKSUJKDBSA-N 2 1 349.479 1.437 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999350011 706862402 /nfs/dbraw/zinc/86/24/02/706862402.db2.gz VSMMWADVUCWDHR-JKSUJKDBSA-N 2 1 349.479 1.437 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000999350011 706862403 /nfs/dbraw/zinc/86/24/03/706862403.db2.gz VSMMWADVUCWDHR-JKSUJKDBSA-N 2 1 349.479 1.437 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1)C1CCC1 ZINC000999362673 706876575 /nfs/dbraw/zinc/87/65/75/706876575.db2.gz COFCRJNQWUVXMC-SFHVURJKSA-N 2 1 345.487 1.744 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](NCc2nncs2)C1 ZINC000999398476 706893113 /nfs/dbraw/zinc/89/31/13/706893113.db2.gz FGKAMIZTUUSIBN-KBPBESRZSA-N 2 1 337.493 1.493 20 0 EDADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]Cc2nncs2)C1 ZINC000999398476 706893115 /nfs/dbraw/zinc/89/31/15/706893115.db2.gz FGKAMIZTUUSIBN-KBPBESRZSA-N 2 1 337.493 1.493 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]Cc2nncs2)C1 ZINC000999398476 706893118 /nfs/dbraw/zinc/89/31/18/706893118.db2.gz FGKAMIZTUUSIBN-KBPBESRZSA-N 2 1 337.493 1.493 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)o1 ZINC000999402559 706911067 /nfs/dbraw/zinc/91/10/67/706911067.db2.gz SNCPVVWGSRKYTR-HZPDHXFCSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)o1 ZINC000999402559 706911068 /nfs/dbraw/zinc/91/10/68/706911068.db2.gz SNCPVVWGSRKYTR-HZPDHXFCSA-N 2 1 334.464 1.938 20 0 EDADMP COc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999506402 707003784 /nfs/dbraw/zinc/00/37/84/707003784.db2.gz AOGGPWKKTXSUCI-IAGOWNOFSA-N 2 1 346.475 1.655 20 0 EDADMP CC(C)n1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000999506345 707004011 /nfs/dbraw/zinc/00/40/11/707004011.db2.gz ABGLDLPTCPFZSA-WBVHZDCISA-N 2 1 348.495 1.424 20 0 EDADMP CC(C)n1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC000999506345 707004014 /nfs/dbraw/zinc/00/40/14/707004014.db2.gz ABGLDLPTCPFZSA-WBVHZDCISA-N 2 1 348.495 1.424 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)cc(C)[nH+]1 ZINC001060880776 707007171 /nfs/dbraw/zinc/00/71/71/707007171.db2.gz MSYTXGGYAKORTH-OAHLLOKOSA-N 2 1 331.464 1.704 20 0 EDADMP CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC000999515864 707014949 /nfs/dbraw/zinc/01/49/49/707014949.db2.gz ZOXTZVSLPPLFLV-ROUUACIJSA-N 2 1 347.507 1.510 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2coc(C3CC3)n2)C1)[NH+](C)C ZINC000999488486 707024314 /nfs/dbraw/zinc/02/43/14/707024314.db2.gz FNJMTXKYRTXPCU-GOEBONIOSA-N 2 1 334.464 1.973 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)co1 ZINC000999492293 707028904 /nfs/dbraw/zinc/02/89/04/707028904.db2.gz ZWNGUCYECAMQNZ-INIZCTEOSA-N 2 1 346.475 1.940 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]2CC1 ZINC000946779021 707236026 /nfs/dbraw/zinc/23/60/26/707236026.db2.gz CULRPHYNIREBNK-YESZJQIVSA-N 2 1 346.475 1.829 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]2CC1 ZINC000946779021 707236028 /nfs/dbraw/zinc/23/60/28/707236028.db2.gz CULRPHYNIREBNK-YESZJQIVSA-N 2 1 346.475 1.829 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]2CC1 ZINC000946779021 707236032 /nfs/dbraw/zinc/23/60/32/707236032.db2.gz CULRPHYNIREBNK-YESZJQIVSA-N 2 1 346.475 1.829 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033255625 707245403 /nfs/dbraw/zinc/24/54/03/707245403.db2.gz KYMVETYUHGDKLT-GOEBONIOSA-N 2 1 343.431 1.449 20 0 EDADMP CCc1noc(C)c1C[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000999714338 707252256 /nfs/dbraw/zinc/25/22/56/707252256.db2.gz OKLCOOOHAIKVDT-OAHLLOKOSA-N 2 1 345.447 1.831 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC000999730696 707274975 /nfs/dbraw/zinc/27/49/75/707274975.db2.gz ZVLQGWJSZLUTGV-HNNXBMFYSA-N 2 1 328.420 1.071 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cnccn2)C1 ZINC000999706485 707297384 /nfs/dbraw/zinc/29/73/84/707297384.db2.gz AONTVSZBKRYJCG-HUUCEWRRSA-N 2 1 328.420 1.323 20 0 EDADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033270802 707300445 /nfs/dbraw/zinc/30/04/45/707300445.db2.gz HGSMBYIQPLMWNM-QGZVFWFLSA-N 2 1 338.415 1.377 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735809 707301170 /nfs/dbraw/zinc/30/11/70/707301170.db2.gz REBIPDXZHCMHEF-XLAORIBOSA-N 2 1 337.508 1.534 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735809 707301173 /nfs/dbraw/zinc/30/11/73/707301173.db2.gz REBIPDXZHCMHEF-XLAORIBOSA-N 2 1 337.508 1.534 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735809 707301178 /nfs/dbraw/zinc/30/11/78/707301178.db2.gz REBIPDXZHCMHEF-XLAORIBOSA-N 2 1 337.508 1.534 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001033182685 707358107 /nfs/dbraw/zinc/35/81/07/707358107.db2.gz QVBACTYAACABQZ-QZTJIDSGSA-N 2 1 349.519 1.822 20 0 EDADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000999838865 707410935 /nfs/dbraw/zinc/41/09/35/707410935.db2.gz XZZTVSFRTGFKCK-QQFBHYJXSA-N 2 1 332.448 1.121 20 0 EDADMP Cc1ccncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033196721 707411426 /nfs/dbraw/zinc/41/14/26/707411426.db2.gz FMYIZCNLXLQIRZ-QZTJIDSGSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033196721 707411430 /nfs/dbraw/zinc/41/14/30/707411430.db2.gz FMYIZCNLXLQIRZ-QZTJIDSGSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ccncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033196721 707411435 /nfs/dbraw/zinc/41/14/35/707411435.db2.gz FMYIZCNLXLQIRZ-QZTJIDSGSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ccncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033196721 707411437 /nfs/dbraw/zinc/41/14/37/707411437.db2.gz FMYIZCNLXLQIRZ-QZTJIDSGSA-N 2 1 330.476 1.907 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000999831386 707461057 /nfs/dbraw/zinc/46/10/57/707461057.db2.gz KKGOAAOZLIUMCV-VQCLRJIVSA-N 2 1 348.495 1.064 20 0 EDADMP CCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC000999831782 707461665 /nfs/dbraw/zinc/46/16/65/707461665.db2.gz LQULAZMLSSIIBT-DNOWBOINSA-N 2 1 336.505 1.736 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccncc2Cl)C1 ZINC000999833804 707466461 /nfs/dbraw/zinc/46/64/61/707466461.db2.gz DGWYDQMVQOMDON-WLYUNCDWSA-N 2 1 336.867 1.766 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC000999973423 707586284 /nfs/dbraw/zinc/58/62/84/707586284.db2.gz KMNCQYACJQMNIW-JKSUJKDBSA-N 2 1 348.495 1.018 20 0 EDADMP CCc1nc(NC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)cc(C)[nH+]1 ZINC001060898032 707696532 /nfs/dbraw/zinc/69/65/32/707696532.db2.gz MPSGVEFFRJAFGK-HNNXBMFYSA-N 2 1 343.475 1.704 20 0 EDADMP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC001032733944 707742795 /nfs/dbraw/zinc/74/27/95/707742795.db2.gz NTPOGVPQDDDQIF-YESZJQIVSA-N 2 1 333.476 1.182 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033389576 707759879 /nfs/dbraw/zinc/75/98/79/707759879.db2.gz CXHKMQCPUFSYAD-QGZVFWFLSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033417062 707798540 /nfs/dbraw/zinc/79/85/40/707798540.db2.gz UXJCNVWJUMJGEC-XJKSGUPXSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001033417062 707798543 /nfs/dbraw/zinc/79/85/43/707798543.db2.gz UXJCNVWJUMJGEC-XJKSGUPXSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033417062 707798548 /nfs/dbraw/zinc/79/85/48/707798548.db2.gz UXJCNVWJUMJGEC-XJKSGUPXSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033417062 707798552 /nfs/dbraw/zinc/79/85/52/707798552.db2.gz UXJCNVWJUMJGEC-XJKSGUPXSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033421293 707833978 /nfs/dbraw/zinc/83/39/78/707833978.db2.gz WTEOXWIZLDKZIF-GOEBONIOSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033421293 707833982 /nfs/dbraw/zinc/83/39/82/707833982.db2.gz WTEOXWIZLDKZIF-GOEBONIOSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033421293 707833985 /nfs/dbraw/zinc/83/39/85/707833985.db2.gz WTEOXWIZLDKZIF-GOEBONIOSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033421293 707833989 /nfs/dbraw/zinc/83/39/89/707833989.db2.gz WTEOXWIZLDKZIF-GOEBONIOSA-N 2 1 331.464 1.160 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1)C1CCC1 ZINC001033226713 707838012 /nfs/dbraw/zinc/83/80/12/707838012.db2.gz VKQFRDSLNRAPQS-ZWKOTPCHSA-N 2 1 349.519 1.963 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033424901 707842721 /nfs/dbraw/zinc/84/27/21/707842721.db2.gz UGQHGBXTHRHZGT-HOCLYGCPSA-N 2 1 331.464 1.302 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001033424901 707842724 /nfs/dbraw/zinc/84/27/24/707842724.db2.gz UGQHGBXTHRHZGT-HOCLYGCPSA-N 2 1 331.464 1.302 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033424901 707842727 /nfs/dbraw/zinc/84/27/27/707842727.db2.gz UGQHGBXTHRHZGT-HOCLYGCPSA-N 2 1 331.464 1.302 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033424901 707842730 /nfs/dbraw/zinc/84/27/30/707842730.db2.gz UGQHGBXTHRHZGT-HOCLYGCPSA-N 2 1 331.464 1.302 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nc(C)[nH+]1 ZINC001060991624 708112565 /nfs/dbraw/zinc/11/25/65/708112565.db2.gz JANRHELVDTZNBK-BBRMVZONSA-N 2 1 331.464 1.696 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc(C)[nH+]1 ZINC001060991624 708112567 /nfs/dbraw/zinc/11/25/67/708112567.db2.gz JANRHELVDTZNBK-BBRMVZONSA-N 2 1 331.464 1.696 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033574952 708249208 /nfs/dbraw/zinc/24/92/08/708249208.db2.gz NYYOVAPHRWKDDP-QAPCUYQASA-N 2 1 337.508 1.676 20 0 EDADMP CCOC1CC(C[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001033596375 708301472 /nfs/dbraw/zinc/30/14/72/708301472.db2.gz ZFWCQYRQGYFAIB-AQFXKWCLSA-N 2 1 335.492 1.430 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033583975 708308797 /nfs/dbraw/zinc/30/87/97/708308797.db2.gz ZKLIIJHSRNAHMW-IAGOWNOFSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033583975 708308800 /nfs/dbraw/zinc/30/88/00/708308800.db2.gz ZKLIIJHSRNAHMW-IAGOWNOFSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033583975 708308804 /nfs/dbraw/zinc/30/88/04/708308804.db2.gz ZKLIIJHSRNAHMW-IAGOWNOFSA-N 2 1 330.476 1.765 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001033658124 708428567 /nfs/dbraw/zinc/42/85/67/708428567.db2.gz PMIAZXNXLRLHMO-KRWDZBQOSA-N 2 1 331.460 1.824 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659449 708471095 /nfs/dbraw/zinc/47/10/95/708471095.db2.gz XHIQMVNBAQLNRW-OAHLLOKOSA-N 2 1 336.505 1.623 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1C ZINC001033661863 708475701 /nfs/dbraw/zinc/47/57/01/708475701.db2.gz MSNAEGFWJYMVSM-ROUUACIJSA-N 2 1 345.487 1.988 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1C ZINC001033661863 708475704 /nfs/dbraw/zinc/47/57/04/708475704.db2.gz MSNAEGFWJYMVSM-ROUUACIJSA-N 2 1 345.487 1.988 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1C ZINC001033661863 708475707 /nfs/dbraw/zinc/47/57/07/708475707.db2.gz MSNAEGFWJYMVSM-ROUUACIJSA-N 2 1 345.487 1.988 20 0 EDADMP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033685029 708498472 /nfs/dbraw/zinc/49/84/72/708498472.db2.gz RLICTDVRPDGCDF-PKOBYXMFSA-N 2 1 345.487 1.931 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033687103 708502376 /nfs/dbraw/zinc/50/23/76/708502376.db2.gz XWPXCWUQWRVUCQ-ZWKOTPCHSA-N 2 1 347.507 1.636 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033687103 708502378 /nfs/dbraw/zinc/50/23/78/708502378.db2.gz XWPXCWUQWRVUCQ-ZWKOTPCHSA-N 2 1 347.507 1.636 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001033687103 708502380 /nfs/dbraw/zinc/50/23/80/708502380.db2.gz XWPXCWUQWRVUCQ-ZWKOTPCHSA-N 2 1 347.507 1.636 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001033687103 708502383 /nfs/dbraw/zinc/50/23/83/708502383.db2.gz XWPXCWUQWRVUCQ-ZWKOTPCHSA-N 2 1 347.507 1.636 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](CCO)CC1 ZINC001002037994 708559344 /nfs/dbraw/zinc/55/93/44/708559344.db2.gz SPDMRGIWOZKIHA-KRWDZBQOSA-N 2 1 325.497 1.462 20 0 EDADMP CCN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033837028 708864537 /nfs/dbraw/zinc/86/45/37/708864537.db2.gz FIQNPNCHVQCOAL-RHSMWYFYSA-N 2 1 349.479 1.095 20 0 EDADMP CCN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033837028 708864540 /nfs/dbraw/zinc/86/45/40/708864540.db2.gz FIQNPNCHVQCOAL-RHSMWYFYSA-N 2 1 349.479 1.095 20 0 EDADMP CCN(C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033837028 708864542 /nfs/dbraw/zinc/86/45/42/708864542.db2.gz FIQNPNCHVQCOAL-RHSMWYFYSA-N 2 1 349.479 1.095 20 0 EDADMP CCN(C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033837028 708864547 /nfs/dbraw/zinc/86/45/47/708864547.db2.gz FIQNPNCHVQCOAL-RHSMWYFYSA-N 2 1 349.479 1.095 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2cncn2C)CC1 ZINC001005400042 708886881 /nfs/dbraw/zinc/88/68/81/708886881.db2.gz YCXOCFNTKRQTAL-SFHVURJKSA-N 2 1 345.491 1.185 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002474190 709008820 /nfs/dbraw/zinc/00/88/20/709008820.db2.gz ITSWHVYOBWEISE-GOSISDBHSA-N 2 1 347.507 1.947 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC001033897640 709017888 /nfs/dbraw/zinc/01/78/88/709017888.db2.gz MUXHWSREJZOQFO-WMLDXEAASA-N 2 1 330.432 1.906 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033908010 709041213 /nfs/dbraw/zinc/04/12/13/709041213.db2.gz WZKHXWLZBQKLPF-SFANZJOMSA-N 2 1 347.503 1.573 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033908010 709041217 /nfs/dbraw/zinc/04/12/17/709041217.db2.gz WZKHXWLZBQKLPF-SFANZJOMSA-N 2 1 347.503 1.573 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033908010 709041221 /nfs/dbraw/zinc/04/12/21/709041221.db2.gz WZKHXWLZBQKLPF-SFANZJOMSA-N 2 1 347.503 1.573 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033932244 709100082 /nfs/dbraw/zinc/10/00/82/709100082.db2.gz JPPPZIWFXNWPAY-JKSUJKDBSA-N 2 1 329.460 1.378 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033932244 709100084 /nfs/dbraw/zinc/10/00/84/709100084.db2.gz JPPPZIWFXNWPAY-JKSUJKDBSA-N 2 1 329.460 1.378 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)[C@H]1CC[NH+](CCCF)C1 ZINC001033932244 709100085 /nfs/dbraw/zinc/10/00/85/709100085.db2.gz JPPPZIWFXNWPAY-JKSUJKDBSA-N 2 1 329.460 1.378 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)[C@H]1CC[NH+](CCCF)C1 ZINC001033932244 709100087 /nfs/dbraw/zinc/10/00/87/709100087.db2.gz JPPPZIWFXNWPAY-JKSUJKDBSA-N 2 1 329.460 1.378 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033942036 709148674 /nfs/dbraw/zinc/14/86/74/709148674.db2.gz VZRGFTZBOZJUJV-QGZVFWFLSA-N 2 1 333.480 1.148 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033941813 709149011 /nfs/dbraw/zinc/14/90/11/709149011.db2.gz SFLZVMDRSYEOST-GOSISDBHSA-N 2 1 348.466 1.985 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033941813 709149012 /nfs/dbraw/zinc/14/90/12/709149012.db2.gz SFLZVMDRSYEOST-GOSISDBHSA-N 2 1 348.466 1.985 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000702139213 709339374 /nfs/dbraw/zinc/33/93/74/709339374.db2.gz FXOIAIMSNRYZOB-ZWKOTPCHSA-N 2 1 330.476 1.046 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000702139213 709339377 /nfs/dbraw/zinc/33/93/77/709339377.db2.gz FXOIAIMSNRYZOB-ZWKOTPCHSA-N 2 1 330.476 1.046 20 0 EDADMP O=C(NC1CC[NH+](C/C=C/Cl)CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001002875780 709482893 /nfs/dbraw/zinc/48/28/93/709482893.db2.gz QZKAVCAKBHTCON-DIZWUGPBSA-N 2 1 327.856 1.183 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001032831301 709508283 /nfs/dbraw/zinc/50/82/83/709508283.db2.gz GTZOHYZEFMGPIA-BPQIPLTHSA-N 2 1 331.460 1.395 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001032831301 709508285 /nfs/dbraw/zinc/50/82/85/709508285.db2.gz GTZOHYZEFMGPIA-BPQIPLTHSA-N 2 1 331.460 1.395 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001032831301 709508287 /nfs/dbraw/zinc/50/82/87/709508287.db2.gz GTZOHYZEFMGPIA-BPQIPLTHSA-N 2 1 331.460 1.395 20 0 EDADMP Cn1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001034208998 709557718 /nfs/dbraw/zinc/55/77/18/709557718.db2.gz WELXNPYIUQOPRY-MSOLQXFVSA-N 2 1 345.491 1.233 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](CC2CCOCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034210796 709561462 /nfs/dbraw/zinc/56/14/62/709561462.db2.gz JRCOXHNKCLJQKH-OALUTQOASA-N 2 1 349.519 1.726 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001034214327 709566812 /nfs/dbraw/zinc/56/68/12/709566812.db2.gz KIGSRMHWFTVUFO-ZTFGCOKTSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001034214327 709566813 /nfs/dbraw/zinc/56/68/13/709566813.db2.gz KIGSRMHWFTVUFO-ZTFGCOKTSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001034214327 709566814 /nfs/dbraw/zinc/56/68/14/709566814.db2.gz KIGSRMHWFTVUFO-ZTFGCOKTSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001034214327 709566815 /nfs/dbraw/zinc/56/68/15/709566815.db2.gz KIGSRMHWFTVUFO-ZTFGCOKTSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1C ZINC001034214995 709568185 /nfs/dbraw/zinc/56/81/85/709568185.db2.gz TXZGCIKBDFDCJV-SOLBZPMBSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1C ZINC001034214995 709568186 /nfs/dbraw/zinc/56/81/86/709568186.db2.gz TXZGCIKBDFDCJV-SOLBZPMBSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)nn1C ZINC001034214995 709568187 /nfs/dbraw/zinc/56/81/87/709568187.db2.gz TXZGCIKBDFDCJV-SOLBZPMBSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)nn1C ZINC001034214995 709568188 /nfs/dbraw/zinc/56/81/88/709568188.db2.gz TXZGCIKBDFDCJV-SOLBZPMBSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001034217004 709572121 /nfs/dbraw/zinc/57/21/21/709572121.db2.gz NJPPPWMNKDGHQN-JFIYKMOQSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001034217004 709572125 /nfs/dbraw/zinc/57/21/25/709572125.db2.gz NJPPPWMNKDGHQN-JFIYKMOQSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001034217004 709572129 /nfs/dbraw/zinc/57/21/29/709572129.db2.gz NJPPPWMNKDGHQN-JFIYKMOQSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001034217004 709572132 /nfs/dbraw/zinc/57/21/32/709572132.db2.gz NJPPPWMNKDGHQN-JFIYKMOQSA-N 2 1 345.491 1.596 20 0 EDADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCOCC2)C1 ZINC001034270976 709677112 /nfs/dbraw/zinc/67/71/12/709677112.db2.gz KPSHMMLPXUPZAT-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCOCC2)C1 ZINC001034270976 709677115 /nfs/dbraw/zinc/67/71/15/709677115.db2.gz KPSHMMLPXUPZAT-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC001034270976 709677119 /nfs/dbraw/zinc/67/71/19/709677119.db2.gz KPSHMMLPXUPZAT-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCOCC2)C1 ZINC001034270976 709677121 /nfs/dbraw/zinc/67/71/21/709677121.db2.gz KPSHMMLPXUPZAT-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP Cn1cc(CC[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001034271480 709678407 /nfs/dbraw/zinc/67/84/07/709678407.db2.gz NNHNMEVOFAPNCQ-ROUUACIJSA-N 2 1 347.507 1.418 20 0 EDADMP Cn1cc(CC[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001034271480 709678410 /nfs/dbraw/zinc/67/84/10/709678410.db2.gz NNHNMEVOFAPNCQ-ROUUACIJSA-N 2 1 347.507 1.418 20 0 EDADMP Cn1cc(CC[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC001034271480 709678413 /nfs/dbraw/zinc/67/84/13/709678413.db2.gz NNHNMEVOFAPNCQ-ROUUACIJSA-N 2 1 347.507 1.418 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034376881 709897750 /nfs/dbraw/zinc/89/77/50/709897750.db2.gz HRXWEERZUDNOAA-INIZCTEOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001003158914 710067162 /nfs/dbraw/zinc/06/71/62/710067162.db2.gz JTFMJAMMUINVID-QAPCUYQASA-N 2 1 345.491 1.911 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001003158914 710067164 /nfs/dbraw/zinc/06/71/64/710067164.db2.gz JTFMJAMMUINVID-QAPCUYQASA-N 2 1 345.491 1.911 20 0 EDADMP C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478866 710087296 /nfs/dbraw/zinc/08/72/96/710087296.db2.gz PMEZMDUYZDJNEB-CRAIPNDOSA-N 2 1 337.508 1.460 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001034527782 710181278 /nfs/dbraw/zinc/18/12/78/710181278.db2.gz HXNUWUSPTLHTNI-ZWKOTPCHSA-N 2 1 337.508 1.870 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001061757676 710201363 /nfs/dbraw/zinc/20/13/63/710201363.db2.gz NCHVHOUSVXDTLT-IRXDYDNUSA-N 2 1 345.491 1.910 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001061757676 710201367 /nfs/dbraw/zinc/20/13/67/710201367.db2.gz NCHVHOUSVXDTLT-IRXDYDNUSA-N 2 1 345.491 1.910 20 0 EDADMP C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544375 710217985 /nfs/dbraw/zinc/21/79/85/710217985.db2.gz QTFZEJFEKBRLFF-NVXWUHKLSA-N 2 1 333.476 1.713 20 0 EDADMP CO[C@H](C)C[NH+]1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001003318119 710246545 /nfs/dbraw/zinc/24/65/45/710246545.db2.gz HFEGFIURIKCIGO-CQSZACIVSA-N 2 1 334.464 1.377 20 0 EDADMP Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC001034606706 710270036 /nfs/dbraw/zinc/27/00/36/710270036.db2.gz ASFAPHPJFBXBKU-NBOOPKSLSA-N 2 1 345.491 1.957 20 0 EDADMP Cc1cnc([C@@H](C)N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC001032839624 710282152 /nfs/dbraw/zinc/28/21/52/710282152.db2.gz JILWITDPBFVCSW-INMHGKMJSA-N 2 1 331.464 1.521 20 0 EDADMP Cc1cnc([C@@H](C)N2CC[C@@H](NC(=O)[C@@H]3CCCCN3C)C2)cn1 ZINC001032839624 710282154 /nfs/dbraw/zinc/28/21/54/710282154.db2.gz JILWITDPBFVCSW-INMHGKMJSA-N 2 1 331.464 1.521 20 0 EDADMP Cn1cc(CC[NH+]2CCC(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)cn1 ZINC001003630886 710460122 /nfs/dbraw/zinc/46/01/22/710460122.db2.gz OXGIYIDFKCTHBQ-UHFFFAOYSA-N 2 1 347.507 1.275 20 0 EDADMP CCc1onc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003636238 710463182 /nfs/dbraw/zinc/46/31/82/710463182.db2.gz UIGMIWQHNHUNAW-CZUORRHYSA-N 2 1 348.491 1.824 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)CC2)n1 ZINC001034683423 710682816 /nfs/dbraw/zinc/68/28/16/710682816.db2.gz GFDACLVFTYQGHM-SHTZXODSSA-N 2 1 347.463 1.523 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1 ZINC001034692645 710782446 /nfs/dbraw/zinc/78/24/46/710782446.db2.gz MNRWLAADHUDGRM-ULQDDVLXSA-N 2 1 334.464 1.635 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCCO3)CC2)C1 ZINC001034733400 710913538 /nfs/dbraw/zinc/91/35/38/710913538.db2.gz BHYYCGYYRVGUNV-XLAORIBOSA-N 2 1 337.508 1.914 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001034734015 710914800 /nfs/dbraw/zinc/91/48/00/710914800.db2.gz HAHSVWCKZRTWHX-BPUTZDHNSA-N 2 1 334.464 1.842 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncs2)CC1 ZINC001034739238 710933771 /nfs/dbraw/zinc/93/37/71/710933771.db2.gz ZNUIYLPTDFDOOY-XUXIUFHCSA-N 2 1 337.493 1.253 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)no1 ZINC001034737006 710948083 /nfs/dbraw/zinc/94/80/83/710948083.db2.gz GNOYZZPCKKSYRM-DNNBLBMLSA-N 2 1 334.464 1.698 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034737219 710949250 /nfs/dbraw/zinc/94/92/50/710949250.db2.gz HOYQJUMYYAHCPE-YHUYYLMFSA-N 2 1 348.495 1.013 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(C(N)=O)cs1)C2 ZINC000922387407 711426894 /nfs/dbraw/zinc/42/68/94/711426894.db2.gz KOLLMKBIZMNFNA-PNBKFKSVSA-N 2 1 337.489 1.416 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cncn2C)C1 ZINC001034958856 711432671 /nfs/dbraw/zinc/43/26/71/711432671.db2.gz MPMASLGHLUCNRC-DLBZAZTESA-N 2 1 347.507 1.479 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc4cnccn34)C2)[C@@H]1C(C)C ZINC000922392122 711457386 /nfs/dbraw/zinc/45/73/86/711457386.db2.gz BMRGSDLTNJIKAM-ZAWLATJESA-N 2 1 343.475 1.689 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC001004151243 711568686 /nfs/dbraw/zinc/56/86/86/711568686.db2.gz IRZZVNWABVIXQI-ZBFHGGJFSA-N 2 1 334.464 1.587 20 0 EDADMP CO[C@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004485321 711864728 /nfs/dbraw/zinc/86/47/28/711864728.db2.gz PVCATGKBUVIDMO-AEFFLSMTSA-N 2 1 348.491 1.929 20 0 EDADMP CO[C@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004485321 711864729 /nfs/dbraw/zinc/86/47/29/711864729.db2.gz PVCATGKBUVIDMO-AEFFLSMTSA-N 2 1 348.491 1.929 20 0 EDADMP C[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@H+]3CCCO)CC2)CC1 ZINC001004521090 711920310 /nfs/dbraw/zinc/92/03/10/711920310.db2.gz GFMRCVLGCBCNDS-GOSISDBHSA-N 2 1 337.508 1.414 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004580661 712012805 /nfs/dbraw/zinc/01/28/05/712012805.db2.gz OIADPHSESWOBDI-KRWDZBQOSA-N 2 1 348.491 1.702 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004580661 712012807 /nfs/dbraw/zinc/01/28/07/712012807.db2.gz OIADPHSESWOBDI-KRWDZBQOSA-N 2 1 348.491 1.702 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001033147143 712038413 /nfs/dbraw/zinc/03/84/13/712038413.db2.gz UEPGGPSYNKCIAR-IAGOWNOFSA-N 2 1 348.495 1.074 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033147143 712038415 /nfs/dbraw/zinc/03/84/15/712038415.db2.gz UEPGGPSYNKCIAR-IAGOWNOFSA-N 2 1 348.495 1.074 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033147143 712038416 /nfs/dbraw/zinc/03/84/16/712038416.db2.gz UEPGGPSYNKCIAR-IAGOWNOFSA-N 2 1 348.495 1.074 20 0 EDADMP CC[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1)OC ZINC000946642940 712130051 /nfs/dbraw/zinc/13/00/51/712130051.db2.gz WZTRTQWRRUCYJJ-XMTFNYHQSA-N 2 1 339.524 1.922 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946677701 712369582 /nfs/dbraw/zinc/36/95/82/712369582.db2.gz JOMSKYGVHHRESX-GASCZTMLSA-N 2 1 328.416 1.111 20 0 EDADMP COCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439774 712589457 /nfs/dbraw/zinc/58/94/57/712589457.db2.gz JGTFLUZYWQADGP-OTWHNJEPSA-N 2 1 345.487 1.511 20 0 EDADMP COCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439774 712589458 /nfs/dbraw/zinc/58/94/58/712589458.db2.gz JGTFLUZYWQADGP-OTWHNJEPSA-N 2 1 345.487 1.511 20 0 EDADMP COCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439774 712589459 /nfs/dbraw/zinc/58/94/59/712589459.db2.gz JGTFLUZYWQADGP-OTWHNJEPSA-N 2 1 345.487 1.511 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000442613282 282220678 /nfs/dbraw/zinc/22/06/78/282220678.db2.gz BGJMBUGLTFQAFO-RDJZCZTQSA-N 2 1 325.497 1.711 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000183212030 282257199 /nfs/dbraw/zinc/25/71/99/282257199.db2.gz XYFBTPASLDVVAP-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000561176988 306283822 /nfs/dbraw/zinc/28/38/22/306283822.db2.gz HHSCVKBFSQHNFO-PVAVHDDUSA-N 2 1 334.464 1.312 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000561176988 306283823 /nfs/dbraw/zinc/28/38/23/306283823.db2.gz HHSCVKBFSQHNFO-PVAVHDDUSA-N 2 1 334.464 1.312 20 0 EDADMP COCC(COC)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000412435017 304008196 /nfs/dbraw/zinc/00/81/96/304008196.db2.gz KIJJKTDELZZKHU-INIZCTEOSA-N 2 1 341.496 1.057 20 0 EDADMP COCC(COC)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000412435017 304008197 /nfs/dbraw/zinc/00/81/97/304008197.db2.gz KIJJKTDELZZKHU-INIZCTEOSA-N 2 1 341.496 1.057 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000339352908 539707714 /nfs/dbraw/zinc/70/77/14/539707714.db2.gz RJHMYQKEZMVFFX-CVEARBPZSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000339352908 539707718 /nfs/dbraw/zinc/70/77/18/539707718.db2.gz RJHMYQKEZMVFFX-CVEARBPZSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000339352908 539707724 /nfs/dbraw/zinc/70/77/24/539707724.db2.gz RJHMYQKEZMVFFX-CVEARBPZSA-N 2 1 325.497 1.555 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000339276887 539705406 /nfs/dbraw/zinc/70/54/06/539705406.db2.gz SPABQKFNSUNXDV-SFHVURJKSA-N 2 1 338.540 1.785 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000339276887 539705408 /nfs/dbraw/zinc/70/54/08/539705408.db2.gz SPABQKFNSUNXDV-SFHVURJKSA-N 2 1 338.540 1.785 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000339276887 539705411 /nfs/dbraw/zinc/70/54/11/539705411.db2.gz SPABQKFNSUNXDV-SFHVURJKSA-N 2 1 338.540 1.785 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000152571282 539821114 /nfs/dbraw/zinc/82/11/14/539821114.db2.gz LPZFAQNJYSHRIH-HOCLYGCPSA-N 2 1 326.485 1.221 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000152571282 539821116 /nfs/dbraw/zinc/82/11/16/539821116.db2.gz LPZFAQNJYSHRIH-HOCLYGCPSA-N 2 1 326.485 1.221 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000152695285 539826480 /nfs/dbraw/zinc/82/64/80/539826480.db2.gz MIEGGHQORBABBP-ZBFHGGJFSA-N 2 1 326.485 1.269 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000152695285 539826483 /nfs/dbraw/zinc/82/64/83/539826483.db2.gz MIEGGHQORBABBP-ZBFHGGJFSA-N 2 1 326.485 1.269 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)NC[C@H]1CCC[NH2+]C1 ZINC000562791012 306309078 /nfs/dbraw/zinc/30/90/78/306309078.db2.gz FLZOUCFEFIEKPZ-SFHVURJKSA-N 2 1 346.475 1.318 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)c2cccc(N3CCN(C)CC3)n2)c2nccn21 ZINC000562938642 306312962 /nfs/dbraw/zinc/31/29/62/306312962.db2.gz CNLZLLCMEQOLFD-UKRRQHHQSA-N 2 1 340.431 1.466 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000354676166 299211217 /nfs/dbraw/zinc/21/12/17/299211217.db2.gz NWJQKDVSDGEBMM-IXDOHACOSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563083318 306318052 /nfs/dbraw/zinc/31/80/52/306318052.db2.gz HMACFPPOEUJUMO-RLFYNMQTSA-N 2 1 331.460 1.533 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563083318 306318053 /nfs/dbraw/zinc/31/80/53/306318053.db2.gz HMACFPPOEUJUMO-RLFYNMQTSA-N 2 1 331.460 1.533 20 0 EDADMP CCN(C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1)CC(F)(F)F ZINC000563351371 306329208 /nfs/dbraw/zinc/32/92/08/306329208.db2.gz ZVDUWYGWIDGLDT-KBPBESRZSA-N 2 1 325.419 1.505 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1)CC(F)(F)F ZINC000563351371 306329209 /nfs/dbraw/zinc/32/92/09/306329209.db2.gz ZVDUWYGWIDGLDT-KBPBESRZSA-N 2 1 325.419 1.505 20 0 EDADMP CCN(C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1)CC(F)(F)F ZINC000563351371 306329210 /nfs/dbraw/zinc/32/92/10/306329210.db2.gz ZVDUWYGWIDGLDT-KBPBESRZSA-N 2 1 325.419 1.505 20 0 EDADMP CCN(C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1)CC(F)(F)F ZINC000563351371 306329211 /nfs/dbraw/zinc/32/92/11/306329211.db2.gz ZVDUWYGWIDGLDT-KBPBESRZSA-N 2 1 325.419 1.505 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000563503976 306336031 /nfs/dbraw/zinc/33/60/31/306336031.db2.gz INZFLHWQZGPKLQ-UHFFFAOYSA-N 2 1 345.491 1.480 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073236446 138215782 /nfs/dbraw/zinc/21/57/82/138215782.db2.gz FQYZUPFUVAHNFO-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP O=C(NCCCC[NH+]1CCCC1)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000090524168 138279461 /nfs/dbraw/zinc/27/94/61/138279461.db2.gz JYWZSZKLBLWNIO-DLBZAZTESA-N 2 1 338.496 1.415 20 0 EDADMP O=C(NCCCC[NH+]1CCCC1)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000090524168 138279462 /nfs/dbraw/zinc/27/94/62/138279462.db2.gz JYWZSZKLBLWNIO-DLBZAZTESA-N 2 1 338.496 1.415 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000343020548 283210246 /nfs/dbraw/zinc/21/02/46/283210246.db2.gz QUFNQHRSVLKFFL-CVEARBPZSA-N 2 1 340.512 1.214 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000125708592 138335741 /nfs/dbraw/zinc/33/57/41/138335741.db2.gz UOTKRAGACIQHSW-QGZVFWFLSA-N 2 1 344.503 1.403 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000136815048 138434147 /nfs/dbraw/zinc/43/41/47/138434147.db2.gz PAAQNROIJXUTGN-INIZCTEOSA-N 2 1 333.480 1.952 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000413846766 304081161 /nfs/dbraw/zinc/08/11/61/304081161.db2.gz UIYVEMPMJLAZDU-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000564652203 306362195 /nfs/dbraw/zinc/36/21/95/306362195.db2.gz FNQZEDIZPVMKRX-GBESFXJTSA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000564652203 306362196 /nfs/dbraw/zinc/36/21/96/306362196.db2.gz FNQZEDIZPVMKRX-GBESFXJTSA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000564652203 306362197 /nfs/dbraw/zinc/36/21/97/306362197.db2.gz FNQZEDIZPVMKRX-GBESFXJTSA-N 2 1 342.487 1.846 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000564654635 306362278 /nfs/dbraw/zinc/36/22/78/306362278.db2.gz HNETYDVCPWZFCK-MJGOQNOKSA-N 2 1 328.460 1.506 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000414006892 304094102 /nfs/dbraw/zinc/09/41/02/304094102.db2.gz RIFVIIWJXMMYJK-SFHVURJKSA-N 2 1 344.503 1.718 20 0 EDADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CCN(CCO)C[C@H]1C)C2 ZINC000565406465 306382987 /nfs/dbraw/zinc/38/29/87/306382987.db2.gz DINHBVSODKOSJY-KGLIPLIRSA-N 2 1 334.464 1.163 20 0 EDADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000565528796 306386099 /nfs/dbraw/zinc/38/60/99/306386099.db2.gz BROCITBZCIZVMW-MWDXBVQZSA-N 2 1 346.500 1.121 20 0 EDADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000565528796 306386100 /nfs/dbraw/zinc/38/61/00/306386100.db2.gz BROCITBZCIZVMW-MWDXBVQZSA-N 2 1 346.500 1.121 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000565593919 306387562 /nfs/dbraw/zinc/38/75/62/306387562.db2.gz MLKPXVHEHKCUID-HNNXBMFYSA-N 2 1 328.478 1.326 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000566012958 306396497 /nfs/dbraw/zinc/39/64/97/306396497.db2.gz ZWKHFIWFUBSBJL-UHFFFAOYSA-N 3 1 347.463 1.058 20 0 EDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N[C@H](C)C1C[NH2+]C1 ZINC000566090877 306398517 /nfs/dbraw/zinc/39/85/17/306398517.db2.gz GPCDMFAAPJMMHT-CYBMUJFWSA-N 2 1 332.448 1.103 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000414693636 304128264 /nfs/dbraw/zinc/12/82/64/304128264.db2.gz CNYRPQBQRDQZCP-LSDHHAIUSA-N 2 1 346.475 1.581 20 0 EDADMP C[C@H]1C[C@@H](C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC000414701198 304129676 /nfs/dbraw/zinc/12/96/76/304129676.db2.gz UFSXSWVLBCMBHC-WMZOPIPTSA-N 3 1 336.524 1.251 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000352853017 284015631 /nfs/dbraw/zinc/01/56/31/284015631.db2.gz KGWJEVBZCRKCTL-RTBURBONSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000352853017 284015632 /nfs/dbraw/zinc/01/56/32/284015632.db2.gz KGWJEVBZCRKCTL-RTBURBONSA-N 2 1 345.487 1.614 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414786170 304140365 /nfs/dbraw/zinc/14/03/65/304140365.db2.gz UFUWVQNRDZSCPH-IRXDYDNUSA-N 2 1 347.507 1.387 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000073915364 203276329 /nfs/dbraw/zinc/27/63/29/203276329.db2.gz XAECSPPEXBUHOI-KRWDZBQOSA-N 2 1 348.491 1.911 20 0 EDADMP c1cc2c(cc1C[NH2+]C1CCC(N3CC[NH2+]CC3)CC1)OCCO2 ZINC000415046076 304154280 /nfs/dbraw/zinc/15/42/80/304154280.db2.gz CKEMRCTYNMJVRK-UHFFFAOYSA-N 2 1 331.460 1.764 20 0 EDADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C[C@@H](O)C[NH3+] ZINC000415067693 304156683 /nfs/dbraw/zinc/15/66/83/304156683.db2.gz KYAZVCUAKSKPCU-SFHVURJKSA-N 2 1 337.427 1.686 20 0 EDADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C[C@@H](O)C[NH3+] ZINC000415067693 304156685 /nfs/dbraw/zinc/15/66/85/304156685.db2.gz KYAZVCUAKSKPCU-SFHVURJKSA-N 2 1 337.427 1.686 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2CNC[C@@H]2C[NH2+]CCO2)CC1 ZINC000415096156 304159569 /nfs/dbraw/zinc/15/95/69/304159569.db2.gz PBAXHBWDXUZDLQ-SFHVURJKSA-N 2 1 332.492 1.297 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2csc(CC[NH3+])n2)C[C@@H](C)O1 ZINC000194826765 139000877 /nfs/dbraw/zinc/00/08/77/139000877.db2.gz KOHVOULDJQPPIP-VXGBXAGGSA-N 2 1 340.493 1.262 20 0 EDADMP C[C@@H](CNC(=O)c1csc(CC[NH3+])n1)[N@H+]1CCc2ccccc2C1 ZINC000194832558 139000932 /nfs/dbraw/zinc/00/09/32/139000932.db2.gz IXMFZLMTCPBOFV-ZDUSSCGKSA-N 2 1 344.484 1.821 20 0 EDADMP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)s1 ZINC000415121908 304161658 /nfs/dbraw/zinc/16/16/58/304161658.db2.gz HSSWXCAESGFHCE-AWEZNQCLSA-N 2 1 349.508 1.877 20 0 EDADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)s1 ZINC000415121908 304161659 /nfs/dbraw/zinc/16/16/59/304161659.db2.gz HSSWXCAESGFHCE-AWEZNQCLSA-N 2 1 349.508 1.877 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000105191859 204138318 /nfs/dbraw/zinc/13/83/18/204138318.db2.gz GHJHBDUWJMITAV-AWEZNQCLSA-N 2 1 333.436 1.016 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C(=O)OC)c3)C2)CC1 ZINC000107369749 204233321 /nfs/dbraw/zinc/23/33/21/204233321.db2.gz VRXBSIOCUXYBPZ-SFHVURJKSA-N 2 1 331.460 1.685 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc4c(c3)c(C)nn4C)C2)CC1 ZINC000107369261 204234232 /nfs/dbraw/zinc/23/42/32/204234232.db2.gz NXDACZCOWWWUDV-QGZVFWFLSA-N 2 1 342.491 1.489 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000111837991 204375921 /nfs/dbraw/zinc/37/59/21/204375921.db2.gz XTLSVEGLOQHIRI-UHFFFAOYSA-N 2 1 348.491 1.482 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000111837991 204375926 /nfs/dbraw/zinc/37/59/26/204375926.db2.gz XTLSVEGLOQHIRI-UHFFFAOYSA-N 2 1 348.491 1.482 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000111231147 204343451 /nfs/dbraw/zinc/34/34/51/204343451.db2.gz NRSYJHPPVFQMRE-MOPGFXCFSA-N 2 1 347.503 1.528 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000111231147 204343455 /nfs/dbraw/zinc/34/34/55/204343455.db2.gz NRSYJHPPVFQMRE-MOPGFXCFSA-N 2 1 347.503 1.528 20 0 EDADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000195159249 139008321 /nfs/dbraw/zinc/00/83/21/139008321.db2.gz TTZAMAQLNTVAIK-LJQANCHMSA-N 2 1 344.503 1.310 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)[nH+]1 ZINC000195516191 139018775 /nfs/dbraw/zinc/01/87/75/139018775.db2.gz HCDREKWMVOZUJD-IXDOHACOSA-N 2 1 346.475 1.760 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237162921 139042779 /nfs/dbraw/zinc/04/27/79/139042779.db2.gz GLHLKOHPTVJEAR-SQNIBIBYSA-N 2 1 336.524 1.297 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000125316554 205004667 /nfs/dbraw/zinc/00/46/67/205004667.db2.gz NOWBLLZLCFIUQS-QGZVFWFLSA-N 2 1 332.492 1.654 20 0 EDADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000125316554 205004671 /nfs/dbraw/zinc/00/46/71/205004671.db2.gz NOWBLLZLCFIUQS-QGZVFWFLSA-N 2 1 332.492 1.654 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NCC[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000237229281 139045104 /nfs/dbraw/zinc/04/51/04/139045104.db2.gz LETJKWUEISCHMK-PKOBYXMFSA-N 2 1 344.503 1.481 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000415179504 304171539 /nfs/dbraw/zinc/17/15/39/304171539.db2.gz JYPCJNGTUVIQQA-UONOGXRCSA-N 2 1 332.448 1.286 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000415179504 304171540 /nfs/dbraw/zinc/17/15/40/304171540.db2.gz JYPCJNGTUVIQQA-UONOGXRCSA-N 2 1 332.448 1.286 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1OCCc2ccccc21 ZINC000130149647 205224750 /nfs/dbraw/zinc/22/47/50/205224750.db2.gz SYCZSZOYAFUSEU-LJQANCHMSA-N 2 1 345.487 1.785 20 0 EDADMP Cc1nccn1CCC[N@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000130518898 205244096 /nfs/dbraw/zinc/24/40/96/205244096.db2.gz FGFIFZNFBYRIEZ-UHFFFAOYSA-N 2 1 335.452 1.672 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000130518898 205244103 /nfs/dbraw/zinc/24/41/03/205244103.db2.gz FGFIFZNFBYRIEZ-UHFFFAOYSA-N 2 1 335.452 1.672 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415211162 304175371 /nfs/dbraw/zinc/17/53/71/304175371.db2.gz LGFUJPQMASFJEW-INIZCTEOSA-N 2 1 332.448 1.335 20 0 EDADMP Cc1ccc(O)c(CNC[C@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000237761699 139059801 /nfs/dbraw/zinc/05/98/01/139059801.db2.gz KIGILIALXSNBSF-KRWDZBQOSA-N 2 1 327.428 1.604 20 0 EDADMP Cc1ccc(O)c(CNC[C@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000237761699 139059802 /nfs/dbraw/zinc/05/98/02/139059802.db2.gz KIGILIALXSNBSF-KRWDZBQOSA-N 2 1 327.428 1.604 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1COCC[NH2+]1 ZINC000238055949 139067777 /nfs/dbraw/zinc/06/77/77/139067777.db2.gz JRCVGJKWQRSECU-GOSISDBHSA-N 2 1 331.460 1.667 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000111838663 220204026 /nfs/dbraw/zinc/20/40/26/220204026.db2.gz LLQVTIAPDQYSDA-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000111838663 220204028 /nfs/dbraw/zinc/20/40/28/220204028.db2.gz LLQVTIAPDQYSDA-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000111852234 220208819 /nfs/dbraw/zinc/20/88/19/220208819.db2.gz OPPXMWHHHWZFLZ-QGZVFWFLSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCO[C@H](C)C1 ZINC000245403392 139072269 /nfs/dbraw/zinc/07/22/69/139072269.db2.gz LMXZYBFBXYOQSS-LMMKCTJWSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCO[C@H](C)C1 ZINC000245403392 139072270 /nfs/dbraw/zinc/07/22/70/139072270.db2.gz LMXZYBFBXYOQSS-LMMKCTJWSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCO[C@H](C)C1 ZINC000245403392 139072271 /nfs/dbraw/zinc/07/22/71/139072271.db2.gz LMXZYBFBXYOQSS-LMMKCTJWSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCO[C@H](C)C1 ZINC000245403392 139072272 /nfs/dbraw/zinc/07/22/72/139072272.db2.gz LMXZYBFBXYOQSS-LMMKCTJWSA-N 2 1 345.487 1.876 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000415253514 304179773 /nfs/dbraw/zinc/17/97/73/304179773.db2.gz HRQUCRQACNAXMT-CYBMUJFWSA-N 2 1 330.432 1.171 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@](C)(O)C1 ZINC000245940893 139090548 /nfs/dbraw/zinc/09/05/48/139090548.db2.gz QZGIRONEBFKKCO-POAQFYNOSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@](C)(O)C1 ZINC000245940893 139090549 /nfs/dbraw/zinc/09/05/49/139090549.db2.gz QZGIRONEBFKKCO-POAQFYNOSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@](C)(O)C1 ZINC000245940893 139090550 /nfs/dbraw/zinc/09/05/50/139090550.db2.gz QZGIRONEBFKKCO-POAQFYNOSA-N 2 1 345.487 1.612 20 0 EDADMP NC(=O)NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159155606 206227825 /nfs/dbraw/zinc/22/78/25/206227825.db2.gz STHOMUDGVUZUIL-SJORKVTESA-N 2 1 344.459 1.558 20 0 EDADMP NC(=O)NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159155606 206227829 /nfs/dbraw/zinc/22/78/29/206227829.db2.gz STHOMUDGVUZUIL-SJORKVTESA-N 2 1 344.459 1.558 20 0 EDADMP NC(=O)NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159155606 206227833 /nfs/dbraw/zinc/22/78/33/206227833.db2.gz STHOMUDGVUZUIL-SJORKVTESA-N 2 1 344.459 1.558 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCCC2(C)C)c1 ZINC000415292711 304187570 /nfs/dbraw/zinc/18/75/70/304187570.db2.gz HXCAGCLEFSGBAL-UHFFFAOYSA-N 2 1 346.475 1.725 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000246288648 139102539 /nfs/dbraw/zinc/10/25/39/139102539.db2.gz NAYYOOWHTITXFH-MGTHKWJCSA-N 2 1 333.451 1.961 20 0 EDADMP CC(C)[C@H](CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000246525999 139111909 /nfs/dbraw/zinc/11/19/09/139111909.db2.gz RQKJPJAUJNELPJ-IKGGRYGDSA-N 2 1 325.497 1.485 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCS[C@@H]3COCC[C@H]32)CC1 ZINC000246972152 139129114 /nfs/dbraw/zinc/12/91/14/139129114.db2.gz OPGYFYDBIFUHRO-HZPDHXFCSA-N 2 1 341.521 1.182 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)CC1 ZINC000246972152 139129115 /nfs/dbraw/zinc/12/91/15/139129115.db2.gz OPGYFYDBIFUHRO-HZPDHXFCSA-N 2 1 341.521 1.182 20 0 EDADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415342709 304198719 /nfs/dbraw/zinc/19/87/19/304198719.db2.gz JUTYJQBXDHORQG-CQSZACIVSA-N 2 1 344.459 1.082 20 0 EDADMP CC1CC[NH+](CC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000247410151 139147907 /nfs/dbraw/zinc/14/79/07/139147907.db2.gz MNRQBBUNOIJGQA-OKZBNKHCSA-N 2 1 337.508 1.819 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000415386119 304210938 /nfs/dbraw/zinc/21/09/38/304210938.db2.gz WODCYQFMGMQKGN-ZDUSSCGKSA-N 2 1 338.839 1.208 20 0 EDADMP CC[C@H](C)C[N@@H+](CC)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000248356571 139160624 /nfs/dbraw/zinc/16/06/24/139160624.db2.gz OLWFOJLPSSJNDX-IRXDYDNUSA-N 2 1 327.513 1.827 20 0 EDADMP CC[C@H](C)C[NH+](CC)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000248356571 139160625 /nfs/dbraw/zinc/16/06/25/139160625.db2.gz OLWFOJLPSSJNDX-IRXDYDNUSA-N 2 1 327.513 1.827 20 0 EDADMP CC[C@H](C)C[NH+](CC)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000248356571 139160626 /nfs/dbraw/zinc/16/06/26/139160626.db2.gz OLWFOJLPSSJNDX-IRXDYDNUSA-N 2 1 327.513 1.827 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000112214043 220264305 /nfs/dbraw/zinc/26/43/05/220264305.db2.gz ZJSCLJNZKWALDP-SJORKVTESA-N 2 1 338.496 1.225 20 0 EDADMP COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249280356 139190173 /nfs/dbraw/zinc/19/01/73/139190173.db2.gz GBAPTBDRUJIMHE-APWZRJJASA-N 2 1 347.459 1.291 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000253354949 139206011 /nfs/dbraw/zinc/20/60/11/139206011.db2.gz QZIKYEAVUBECPK-OSYLJGHBSA-N 2 1 337.489 1.321 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000253354949 139206012 /nfs/dbraw/zinc/20/60/12/139206012.db2.gz QZIKYEAVUBECPK-OSYLJGHBSA-N 2 1 337.489 1.321 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1csc(CC[NH3+])n1 ZINC000261542009 139208669 /nfs/dbraw/zinc/20/86/69/139208669.db2.gz GHOJHQMVLMDCFL-CYBMUJFWSA-N 2 1 332.473 1.895 20 0 EDADMP O[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)Cc1ccc(F)cc1 ZINC000569111694 306496947 /nfs/dbraw/zinc/49/69/47/306496947.db2.gz WGECRLBEDDZZQF-GOSISDBHSA-N 2 1 336.451 1.964 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261820577 139228944 /nfs/dbraw/zinc/22/89/44/139228944.db2.gz PJUMIPQEUGFWLB-JLZZUVOBSA-N 2 1 328.416 1.864 20 0 EDADMP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261862458 139232165 /nfs/dbraw/zinc/23/21/65/139232165.db2.gz CFQMOPXZLOAMSP-OKYOBFRVSA-N 2 1 349.519 1.914 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261907293 139235866 /nfs/dbraw/zinc/23/58/66/139235866.db2.gz XBPVWSOEVXIWSD-YQVWRLOYSA-N 2 1 344.503 1.688 20 0 EDADMP C[N@H+](CCOc1ccc(Cl)cc1Cl)CC(=O)N1CC[NH2+]CC1 ZINC000261918392 139236831 /nfs/dbraw/zinc/23/68/31/139236831.db2.gz HKNZTKZSYNDHGM-UHFFFAOYSA-N 2 1 346.258 1.736 20 0 EDADMP C[C@H](CCNC(=O)[C@H]([NH3+])C1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000262017116 139244121 /nfs/dbraw/zinc/24/41/21/139244121.db2.gz ONKQQBUGEQFMMZ-CRAIPNDOSA-N 2 1 333.476 1.767 20 0 EDADMP O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262031925 139245298 /nfs/dbraw/zinc/24/52/98/139245298.db2.gz XQIAVAKWNAUKRX-BRWVUGGUSA-N 2 1 347.459 1.631 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000174359336 207014308 /nfs/dbraw/zinc/01/43/08/207014308.db2.gz BTCLDOFRXSCFIU-UHFFFAOYSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)c2C1 ZINC000415557625 251011667 /nfs/dbraw/zinc/01/16/67/251011667.db2.gz JGFQQXSRVDGQSI-KBPBESRZSA-N 2 1 344.459 1.560 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)c2C1 ZINC000415557625 251011671 /nfs/dbraw/zinc/01/16/71/251011671.db2.gz JGFQQXSRVDGQSI-KBPBESRZSA-N 2 1 344.459 1.560 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416831299 251112472 /nfs/dbraw/zinc/11/24/72/251112472.db2.gz AVMCBPNDPASFIY-FUHWJXTLSA-N 2 1 328.460 1.797 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000416871639 251114365 /nfs/dbraw/zinc/11/43/65/251114365.db2.gz PUILEYFUABBOGG-CVEARBPZSA-N 2 1 326.485 1.160 20 0 EDADMP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416873156 251114930 /nfs/dbraw/zinc/11/49/30/251114930.db2.gz CSFQOTFKXNPCRN-WMLDXEAASA-N 2 1 332.448 1.150 20 0 EDADMP CC[NH2+]CCNC(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000416989270 251119682 /nfs/dbraw/zinc/11/96/82/251119682.db2.gz LXYBQNBOUIERLF-UHFFFAOYSA-N 2 1 347.507 1.233 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000417010914 251130592 /nfs/dbraw/zinc/13/05/92/251130592.db2.gz QQWWSEMISVHEEB-KLAILNCOSA-N 2 1 339.528 1.232 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@@H](C[NH3+])C3CC3)c2)CCO1 ZINC000417271321 251152563 /nfs/dbraw/zinc/15/25/63/251152563.db2.gz QIXFRZAOUANDDY-KDOFPFPSSA-N 2 1 346.475 1.444 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@@H](C[NH3+])C3CC3)c2)CCO1 ZINC000417271321 251152567 /nfs/dbraw/zinc/15/25/67/251152567.db2.gz QIXFRZAOUANDDY-KDOFPFPSSA-N 2 1 346.475 1.444 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417555191 251187779 /nfs/dbraw/zinc/18/77/79/251187779.db2.gz LJJYLZJNCAOYMS-KRWDZBQOSA-N 2 1 339.528 1.236 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH2+]CCOC)C1 ZINC000417585617 251198640 /nfs/dbraw/zinc/19/86/40/251198640.db2.gz PPKREXOEBJWTPN-OAHLLOKOSA-N 2 1 328.501 1.422 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)[C@@H](C)C1 ZINC000417667838 251220628 /nfs/dbraw/zinc/22/06/28/251220628.db2.gz HPEHEILUNDCSQY-YVSFHVDLSA-N 2 1 340.512 1.502 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417608458 251205572 /nfs/dbraw/zinc/20/55/72/251205572.db2.gz ISPDBEBTBGATPY-CABCVRRESA-N 2 1 326.510 1.066 20 0 EDADMP C[C@H](c1ccc(NC(=O)C[C@@H]2COCC[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000262416619 139277599 /nfs/dbraw/zinc/27/75/99/139277599.db2.gz RGFLGHQDTZPMEN-RHSMWYFYSA-N 2 1 333.432 1.397 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000417754930 251258471 /nfs/dbraw/zinc/25/84/71/251258471.db2.gz QJSCRQTVFJUKGD-JKSUJKDBSA-N 2 1 327.517 1.077 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176101218 207190433 /nfs/dbraw/zinc/19/04/33/207190433.db2.gz FMEKAOHMVJYUEO-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417721465 251243371 /nfs/dbraw/zinc/24/33/71/251243371.db2.gz AKQOYUGVZASGHH-HOTGVXAUSA-N 2 1 333.480 1.234 20 0 EDADMP CC[NH2+]CCNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417726837 251244605 /nfs/dbraw/zinc/24/46/05/251244605.db2.gz IDWMRFNDPRXEKV-MRXNPFEDSA-N 2 1 333.480 1.106 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCCC[NH3+] ZINC000417738118 251250347 /nfs/dbraw/zinc/25/03/47/251250347.db2.gz XBAIGGOESMBQEA-INIZCTEOSA-N 2 1 333.480 1.235 20 0 EDADMP C[C@H](CCNC(=O)N1CCCO[C@@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000417810900 251278711 /nfs/dbraw/zinc/27/87/11/251278711.db2.gz JAPXVUFVBYLAJW-AEFFLSMTSA-N 2 1 348.491 1.656 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2)C1 ZINC000262485634 139281760 /nfs/dbraw/zinc/28/17/60/139281760.db2.gz YNWXJTVDSFKWEV-QXGSTGNESA-N 2 1 345.487 1.504 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417815343 251280148 /nfs/dbraw/zinc/28/01/48/251280148.db2.gz BWJSUFJGMIJSRF-RYRKJORJSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH2+]C[C@H]1C ZINC000417816060 251280524 /nfs/dbraw/zinc/28/05/24/251280524.db2.gz BZKYFBJIIMECEF-NUJGCVRESA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000417872697 251306983 /nfs/dbraw/zinc/30/69/83/251306983.db2.gz LDTMOMMYEMIGJJ-BGTYHANMSA-N 2 1 328.460 1.510 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000417992490 251318469 /nfs/dbraw/zinc/31/84/69/251318469.db2.gz MQHMGYVYHUKSIY-IAGOWNOFSA-N 2 1 334.464 1.036 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418112831 251326546 /nfs/dbraw/zinc/32/65/46/251326546.db2.gz ZFKIZLLGZZPQGE-OKZBNKHCSA-N 2 1 330.476 1.935 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000418423360 251367009 /nfs/dbraw/zinc/36/70/09/251367009.db2.gz BZZMOUIRIZAPPX-OAHLLOKOSA-N 2 1 327.517 1.027 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000418423360 251367011 /nfs/dbraw/zinc/36/70/11/251367011.db2.gz BZZMOUIRIZAPPX-OAHLLOKOSA-N 2 1 327.517 1.027 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000418422874 251367255 /nfs/dbraw/zinc/36/72/55/251367255.db2.gz DPXGQFVAZITCBK-OAHLLOKOSA-N 2 1 328.501 1.360 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418199152 251355325 /nfs/dbraw/zinc/35/53/25/251355325.db2.gz MWZUERBINGUXFL-OAHLLOKOSA-N 2 1 328.501 1.422 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000262533764 139284679 /nfs/dbraw/zinc/28/46/79/139284679.db2.gz OURWHNGWCWUBQN-IAGOWNOFSA-N 2 1 332.492 1.294 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000262533763 139284708 /nfs/dbraw/zinc/28/47/08/139284708.db2.gz OURWHNGWCWUBQN-DLBZAZTESA-N 2 1 332.492 1.294 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418626041 251380857 /nfs/dbraw/zinc/38/08/57/251380857.db2.gz KQFTXYJBTGZRKN-NVXWUHKLSA-N 2 1 333.480 1.685 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)CCCC[NH3+])CC[N@H+]1CCOC ZINC000418678133 251384169 /nfs/dbraw/zinc/38/41/69/251384169.db2.gz VEIDWFCUINHBOP-JKSUJKDBSA-N 2 1 328.501 1.646 20 0 EDADMP CCC[C@@H](NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420349323 251693185 /nfs/dbraw/zinc/69/31/85/251693185.db2.gz ONTNQAXCUHLCOL-RBUKOAKNSA-N 2 1 344.503 1.624 20 0 EDADMP CCC[C@@H](NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420349323 251693187 /nfs/dbraw/zinc/69/31/87/251693187.db2.gz ONTNQAXCUHLCOL-RBUKOAKNSA-N 2 1 344.503 1.624 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C[C@H]2CSCC[NH2+]2)C[C@H](C)O1 ZINC000262800165 139304551 /nfs/dbraw/zinc/30/45/51/139304551.db2.gz PBDGFQOYRDSIOH-FZKCQIBNSA-N 2 1 341.521 1.182 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000422886403 252011572 /nfs/dbraw/zinc/01/15/72/252011572.db2.gz WREIXYWFBIJIGO-HOTGVXAUSA-N 2 1 349.475 1.960 20 0 EDADMP O=C1CCN1c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423094422 252036508 /nfs/dbraw/zinc/03/65/08/252036508.db2.gz BSZWCQGCYCKFES-KZNAEPCWSA-N 2 1 329.444 1.670 20 0 EDADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423173124 252041334 /nfs/dbraw/zinc/04/13/34/252041334.db2.gz XACQTUOCUBQIMJ-JCHJZTRSSA-N 2 1 334.460 1.518 20 0 EDADMP [NH3+]CCCn1cc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)nn1 ZINC000423351094 252049496 /nfs/dbraw/zinc/04/94/96/252049496.db2.gz HLSCLJMMXAGHDT-UHFFFAOYSA-N 2 1 348.495 1.355 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423782803 252071905 /nfs/dbraw/zinc/07/19/05/252071905.db2.gz JHWDINKGKYOHQD-RLFYNMQTSA-N 2 1 347.459 1.418 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)[C@@H](C)C1 ZINC000423858819 252094479 /nfs/dbraw/zinc/09/44/79/252094479.db2.gz DWUUWIRKDMIHEE-HNNXBMFYSA-N 2 1 339.480 1.382 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)[C@@H](C)C1 ZINC000423858819 252094484 /nfs/dbraw/zinc/09/44/84/252094484.db2.gz DWUUWIRKDMIHEE-HNNXBMFYSA-N 2 1 339.480 1.382 20 0 EDADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424043881 252123354 /nfs/dbraw/zinc/12/33/54/252123354.db2.gz HYCUSLXQLQKOBH-RYQLBKOJSA-N 2 1 347.434 1.237 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000423790176 252076263 /nfs/dbraw/zinc/07/62/63/252076263.db2.gz ZKBPOLLKWDRTTR-KBMXLJTQSA-N 2 1 337.414 1.868 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000423790176 252076266 /nfs/dbraw/zinc/07/62/66/252076266.db2.gz ZKBPOLLKWDRTTR-KBMXLJTQSA-N 2 1 337.414 1.868 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424139535 252140685 /nfs/dbraw/zinc/14/06/85/252140685.db2.gz VNSYBXWYOKNTOK-CVEARBPZSA-N 2 1 348.495 1.445 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)[C@@H](C)C1 ZINC000424146401 252144172 /nfs/dbraw/zinc/14/41/72/252144172.db2.gz PPQHJEZFJWAMPF-DZKIICNBSA-N 2 1 334.468 1.005 20 0 EDADMP O=C(C[NH2+]C[C@@H]1CCCO1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424217014 252165873 /nfs/dbraw/zinc/16/58/73/252165873.db2.gz KALBNIADJUPRAS-GBESFXJTSA-N 2 1 343.471 1.488 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302566 252192240 /nfs/dbraw/zinc/19/22/40/252192240.db2.gz ZXLVQUZVYBBWJH-INIZCTEOSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1)CC[NH2+]CC2 ZINC000424291361 252192619 /nfs/dbraw/zinc/19/26/19/252192619.db2.gz NQQCJMXBQGNCGU-CQSZACIVSA-N 2 1 344.459 1.578 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000424428010 252224830 /nfs/dbraw/zinc/22/48/30/252224830.db2.gz RHRFEKPKSSOESO-CQSZACIVSA-N 2 1 334.464 1.763 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000424463565 252238402 /nfs/dbraw/zinc/23/84/02/252238402.db2.gz HPYOZTVEKDHMMJ-CYBMUJFWSA-N 2 1 330.432 1.159 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1C[NH2+]C1 ZINC000263107134 139322627 /nfs/dbraw/zinc/32/26/27/139322627.db2.gz AAQBWKPUPOMMRK-CQSZACIVSA-N 2 1 327.350 1.615 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000458370424 285023138 /nfs/dbraw/zinc/02/31/38/285023138.db2.gz PFHNWPYANGXLNH-AEFFLSMTSA-N 2 1 338.496 1.225 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000458370424 285023140 /nfs/dbraw/zinc/02/31/40/285023140.db2.gz PFHNWPYANGXLNH-AEFFLSMTSA-N 2 1 338.496 1.225 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000458370424 285023142 /nfs/dbraw/zinc/02/31/42/285023142.db2.gz PFHNWPYANGXLNH-AEFFLSMTSA-N 2 1 338.496 1.225 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000111832042 285033943 /nfs/dbraw/zinc/03/39/43/285033943.db2.gz BMMAWXUEZSTYCG-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000111791030 285034479 /nfs/dbraw/zinc/03/44/79/285034479.db2.gz IUOCYHZRINLSRB-HNNXBMFYSA-N 2 1 340.512 1.706 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000347049593 285058346 /nfs/dbraw/zinc/05/83/46/285058346.db2.gz MYBQTPRCBPWUIB-PMPSAXMXSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000347049593 285058350 /nfs/dbraw/zinc/05/83/50/285058350.db2.gz MYBQTPRCBPWUIB-PMPSAXMXSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000347049593 285058352 /nfs/dbraw/zinc/05/83/52/285058352.db2.gz MYBQTPRCBPWUIB-PMPSAXMXSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415661062 304250645 /nfs/dbraw/zinc/25/06/45/304250645.db2.gz UVZPIGDUFZZBSB-LLVKDONJSA-N 2 1 340.855 1.454 20 0 EDADMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1OCc1cccnc1 ZINC000263308708 139334956 /nfs/dbraw/zinc/33/49/56/139334956.db2.gz YFSKFNSGDQIHAV-DLBZAZTESA-N 2 1 343.427 1.339 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)[C@H](C)C1 ZINC000430798818 254514952 /nfs/dbraw/zinc/51/49/52/254514952.db2.gz VDUYTDOWXAPRGJ-CZUORRHYSA-N 2 1 348.495 1.313 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC)nc1 ZINC000263651445 139350079 /nfs/dbraw/zinc/35/00/79/139350079.db2.gz CYMGJCYFNKBCDW-MRXNPFEDSA-N 2 1 349.479 1.970 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000457533581 254873233 /nfs/dbraw/zinc/87/32/33/254873233.db2.gz PHUDVXJKVSGCQD-SFHVURJKSA-N 2 1 348.491 1.394 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)N1CCOCC1 ZINC000487056443 255024437 /nfs/dbraw/zinc/02/44/37/255024437.db2.gz ITBZZZLCTGHIDU-SJORKVTESA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000487056443 255024441 /nfs/dbraw/zinc/02/44/41/255024441.db2.gz ITBZZZLCTGHIDU-SJORKVTESA-N 2 1 340.512 1.325 20 0 EDADMP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000488506661 255044951 /nfs/dbraw/zinc/04/49/51/255044951.db2.gz OPVBUQNBBDAHNV-LHHMISFZSA-N 2 1 331.464 1.439 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000355142398 285245650 /nfs/dbraw/zinc/24/56/50/285245650.db2.gz WESRBSMLKYBYKU-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)[C@H](C)COC ZINC000360157688 285247920 /nfs/dbraw/zinc/24/79/20/285247920.db2.gz VUBCHIOWSZNABM-BRWVUGGUSA-N 2 1 327.513 1.780 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])cc2)CC1 ZINC000493881184 255224958 /nfs/dbraw/zinc/22/49/58/255224958.db2.gz CUQPHKWPZXOQED-HUUCEWRRSA-N 2 1 346.475 1.315 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)C3CC([NH3+])C3)c2C1 ZINC000415789549 304271720 /nfs/dbraw/zinc/27/17/20/304271720.db2.gz NNVSWOXSUGTSTH-UHFFFAOYSA-N 2 1 330.432 1.299 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N(C)C3CC([NH3+])C3)c2C1 ZINC000415789549 304271723 /nfs/dbraw/zinc/27/17/23/304271723.db2.gz NNVSWOXSUGTSTH-UHFFFAOYSA-N 2 1 330.432 1.299 20 0 EDADMP C[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000496130389 255356413 /nfs/dbraw/zinc/35/64/13/255356413.db2.gz SXWWROCTJMJGRI-KBPBESRZSA-N 2 1 341.500 1.745 20 0 EDADMP O=C1O[C@]2(CN1C[N@H+]1CCC[C@H]1C1CCOCC1)C[NH+]1CCC2CC1 ZINC000495860427 255333092 /nfs/dbraw/zinc/33/30/92/255333092.db2.gz ZTAVJVIZDYGXPL-HKUYNNGSSA-N 2 1 349.475 1.752 20 0 EDADMP COC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000452039852 285267575 /nfs/dbraw/zinc/26/75/75/285267575.db2.gz PJEDUJGQRDEIPN-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCCO1 ZINC000496425890 255392543 /nfs/dbraw/zinc/39/25/43/255392543.db2.gz UFJWETRZZKRSFN-RHSMWYFYSA-N 2 1 327.469 1.602 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCCO1 ZINC000496425890 255392544 /nfs/dbraw/zinc/39/25/44/255392544.db2.gz UFJWETRZZKRSFN-RHSMWYFYSA-N 2 1 327.469 1.602 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415799231 304273854 /nfs/dbraw/zinc/27/38/54/304273854.db2.gz DAUNGVYRQNVBOK-ILXRZTDVSA-N 2 1 346.475 1.709 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000119238401 221274645 /nfs/dbraw/zinc/27/46/45/221274645.db2.gz CZEXFJJYHZPLSJ-BRSBDYLESA-N 2 1 339.524 1.874 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264311906 139396157 /nfs/dbraw/zinc/39/61/57/139396157.db2.gz LZHKQDQELHAYJM-GOSISDBHSA-N 2 1 346.519 1.679 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000270231153 140063973 /nfs/dbraw/zinc/06/39/73/140063973.db2.gz ANJQPESELHIIQF-OKZBNKHCSA-N 2 1 346.475 1.452 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000270231153 140063975 /nfs/dbraw/zinc/06/39/75/140063975.db2.gz ANJQPESELHIIQF-OKZBNKHCSA-N 2 1 346.475 1.452 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000270231153 140063977 /nfs/dbraw/zinc/06/39/77/140063977.db2.gz ANJQPESELHIIQF-OKZBNKHCSA-N 2 1 346.475 1.452 20 0 EDADMP CC[NH+]1CCN([C@H]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000271246319 140263234 /nfs/dbraw/zinc/26/32/34/140263234.db2.gz CJQWMHHGYDAWSC-SFTDATJTSA-N 2 1 342.531 1.973 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2C[C@H](C)O)CC1 ZINC000331318445 141007219 /nfs/dbraw/zinc/00/72/19/141007219.db2.gz KDZSAJLATWNKKP-RDJZCZTQSA-N 2 1 325.497 1.601 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331475825 141035506 /nfs/dbraw/zinc/03/55/06/141035506.db2.gz IUBYKNZCANHEEO-DYVFJYSZSA-N 2 1 337.489 1.509 20 0 EDADMP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000332400445 141175555 /nfs/dbraw/zinc/17/55/55/141175555.db2.gz YBRAXQAMCDFQQQ-CQSZACIVSA-N 2 1 344.459 1.634 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000333358954 141305213 /nfs/dbraw/zinc/30/52/13/141305213.db2.gz CONWGXADUCGCLD-YESZJQIVSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000333720019 141365481 /nfs/dbraw/zinc/36/54/81/141365481.db2.gz GLUXYONMMOWBBH-JFIYKMOQSA-N 2 1 345.491 1.858 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000333720019 141365484 /nfs/dbraw/zinc/36/54/84/141365484.db2.gz GLUXYONMMOWBBH-JFIYKMOQSA-N 2 1 345.491 1.858 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn2cc[nH+]c12 ZINC000339865560 142182696 /nfs/dbraw/zinc/18/26/96/142182696.db2.gz MEFCWFKUDZHINZ-ZFWWWQNUSA-N 2 1 341.415 1.324 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cn2cc[nH+]c12 ZINC000339865560 142182697 /nfs/dbraw/zinc/18/26/97/142182697.db2.gz MEFCWFKUDZHINZ-ZFWWWQNUSA-N 2 1 341.415 1.324 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000339938242 142205869 /nfs/dbraw/zinc/20/58/69/142205869.db2.gz TZLSPTSTXGJLPK-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000339938242 142205870 /nfs/dbraw/zinc/20/58/70/142205870.db2.gz TZLSPTSTXGJLPK-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP C[N@@H+]1CC[C@@H]([NH2+]CCCn2cc(CO)nn2)C[C@H]1c1ccccc1 ZINC000340400087 142377460 /nfs/dbraw/zinc/37/74/60/142377460.db2.gz JCTUTBQKEQFYBU-AEFFLSMTSA-N 2 1 329.448 1.586 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]CCCn2cc(CO)nn2)C[C@H]1c1ccccc1 ZINC000340400087 142377462 /nfs/dbraw/zinc/37/74/62/142377462.db2.gz JCTUTBQKEQFYBU-AEFFLSMTSA-N 2 1 329.448 1.586 20 0 EDADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1CCSC1 ZINC000345069461 143046567 /nfs/dbraw/zinc/04/65/67/143046567.db2.gz RJKPXZIWRSDELO-LZLYRXPVSA-N 2 1 333.501 1.985 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1CCSC1 ZINC000345069461 143046568 /nfs/dbraw/zinc/04/65/68/143046568.db2.gz RJKPXZIWRSDELO-LZLYRXPVSA-N 2 1 333.501 1.985 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@H]1CCSC1 ZINC000345069461 143046569 /nfs/dbraw/zinc/04/65/69/143046569.db2.gz RJKPXZIWRSDELO-LZLYRXPVSA-N 2 1 333.501 1.985 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+](C)Cc1ccccc1 ZINC000345752432 143129031 /nfs/dbraw/zinc/12/90/31/143129031.db2.gz PHGGMDTXHIQOMG-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+](C)Cc1ccccc1 ZINC000345752432 143129032 /nfs/dbraw/zinc/12/90/32/143129032.db2.gz PHGGMDTXHIQOMG-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000345752432 143129033 /nfs/dbraw/zinc/12/90/33/143129033.db2.gz PHGGMDTXHIQOMG-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000345752432 143129034 /nfs/dbraw/zinc/12/90/34/143129034.db2.gz PHGGMDTXHIQOMG-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])CC(F)F)c2)CCO1 ZINC000345800501 143134939 /nfs/dbraw/zinc/13/49/39/143134939.db2.gz LTGIDIXXGUVDMS-SWLSCSKDSA-N 2 1 341.402 1.506 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])CC(F)F)c2)CCO1 ZINC000345800501 143134940 /nfs/dbraw/zinc/13/49/40/143134940.db2.gz LTGIDIXXGUVDMS-SWLSCSKDSA-N 2 1 341.402 1.506 20 0 EDADMP C[C@H](C[NH+]1CCCC[C@H]1CC(N)=O)C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000346645277 143225828 /nfs/dbraw/zinc/22/58/28/143225828.db2.gz PERFRLIKWIXMRE-MUJYYYPQSA-N 2 1 338.496 1.082 20 0 EDADMP C[C@@H](C[NH+]1CCCC[C@@H]1CC(N)=O)C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000346645277 143225829 /nfs/dbraw/zinc/22/58/29/143225829.db2.gz PERFRLIKWIXMRE-MUJYYYPQSA-N 2 1 338.496 1.082 20 0 EDADMP C[C@@H](C[NH+]1CCCC[C@@H]1CC(N)=O)C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000346645277 143225830 /nfs/dbraw/zinc/22/58/30/143225830.db2.gz PERFRLIKWIXMRE-MUJYYYPQSA-N 2 1 338.496 1.082 20 0 EDADMP CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000346670326 143229548 /nfs/dbraw/zinc/22/95/48/143229548.db2.gz OFQOEUDIUOQPNJ-ROUUACIJSA-N 2 1 347.507 1.912 20 0 EDADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000346693349 143232551 /nfs/dbraw/zinc/23/25/51/143232551.db2.gz MLFXDEXYWMKWGF-NVXWUHKLSA-N 2 1 347.507 1.718 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000347015458 143271624 /nfs/dbraw/zinc/27/16/24/143271624.db2.gz JKGDNKCOWKMDNT-ZDUSSCGKSA-N 2 1 347.488 1.560 20 0 EDADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000347216188 143296028 /nfs/dbraw/zinc/29/60/28/143296028.db2.gz RDIMURPYUKHBDL-ZDUSSCGKSA-N 2 1 339.509 1.276 20 0 EDADMP C[NH2+]C[C@](C)(O)CN1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000572847796 306601035 /nfs/dbraw/zinc/60/10/35/306601035.db2.gz RSVKPXTULJBCSA-BQFCYCMXSA-N 2 1 327.513 1.168 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[C@H](C)C1 ZINC000417666595 286058562 /nfs/dbraw/zinc/05/85/62/286058562.db2.gz DJYDWBWGZPRTCH-FXUDXRNXSA-N 2 1 326.485 1.255 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCN2CCOCC2)[C@H](C)C1 ZINC000358173080 286063706 /nfs/dbraw/zinc/06/37/06/286063706.db2.gz UWRUWFXEOKWRKY-QYZOEREBSA-N 2 1 341.540 1.824 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000352572313 149068602 /nfs/dbraw/zinc/06/86/02/149068602.db2.gz GNXNFACDDSEPAB-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC(F)(F)C[NH3+] ZINC000416895358 304353929 /nfs/dbraw/zinc/35/39/29/304353929.db2.gz SWGQMOADZPRMJL-UHFFFAOYSA-N 2 1 328.407 1.922 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC000352661718 149106453 /nfs/dbraw/zinc/10/64/53/149106453.db2.gz UWCGFFDXPYSVMY-BHIYHBOVSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC000352661718 149106456 /nfs/dbraw/zinc/10/64/56/149106456.db2.gz UWCGFFDXPYSVMY-BHIYHBOVSA-N 2 1 345.487 1.737 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000416958822 304355395 /nfs/dbraw/zinc/35/53/95/304355395.db2.gz PFESWJPOSVGYLV-HOCLYGCPSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000353094206 149283874 /nfs/dbraw/zinc/28/38/74/149283874.db2.gz UWVPSIBNIYABBU-KTIZJFLCSA-N 2 1 334.508 1.285 20 0 EDADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C[N@H+]1C1CC1 ZINC000353094206 149283876 /nfs/dbraw/zinc/28/38/76/149283876.db2.gz UWVPSIBNIYABBU-KTIZJFLCSA-N 2 1 334.508 1.285 20 0 EDADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[NH+]1C1CC1 ZINC000353094206 149283879 /nfs/dbraw/zinc/28/38/79/149283879.db2.gz UWVPSIBNIYABBU-KTIZJFLCSA-N 2 1 334.508 1.285 20 0 EDADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[NH+]1C1CC1 ZINC000353094206 149283881 /nfs/dbraw/zinc/28/38/81/149283881.db2.gz UWVPSIBNIYABBU-KTIZJFLCSA-N 2 1 334.508 1.285 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000353098362 149286267 /nfs/dbraw/zinc/28/62/67/149286267.db2.gz QGJXBJKFLYGLGL-OAHLLOKOSA-N 2 1 326.485 1.005 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000416986220 304361948 /nfs/dbraw/zinc/36/19/48/304361948.db2.gz IYHAGGPITSEFKT-MRXNPFEDSA-N 2 1 347.507 1.313 20 0 EDADMP CC[C@H](C)[C@@H](OC)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000355451432 150273363 /nfs/dbraw/zinc/27/33/63/150273363.db2.gz YFRAHFPNDGLOII-YESZJQIVSA-N 2 1 327.513 1.922 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000417030075 304362563 /nfs/dbraw/zinc/36/25/63/304362563.db2.gz WCAFZHVRJXUHNL-KRWDZBQOSA-N 2 1 347.507 1.101 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000355502148 150294628 /nfs/dbraw/zinc/29/46/28/150294628.db2.gz GMBLHECPFQBCBD-AEFFLSMTSA-N 2 1 332.492 1.895 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417036342 304363948 /nfs/dbraw/zinc/36/39/48/304363948.db2.gz HPJJYXHGRUTXDP-DLBZAZTESA-N 2 1 339.528 1.221 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000417044035 304365481 /nfs/dbraw/zinc/36/54/81/304365481.db2.gz MLDZLEHJZNOQIH-OWCLPIDISA-N 2 1 326.485 1.114 20 0 EDADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000417068382 304368914 /nfs/dbraw/zinc/36/89/14/304368914.db2.gz JMUKJYILIOUJAL-PBHICJAKSA-N 2 1 334.508 1.890 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357709954 151121882 /nfs/dbraw/zinc/12/18/82/151121882.db2.gz RZFRSZFJRVLQRK-ZWKOTPCHSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000358072737 151258929 /nfs/dbraw/zinc/25/89/29/151258929.db2.gz ZCZJKWLJVIRJFW-MRXNPFEDSA-N 2 1 349.475 1.468 20 0 EDADMP C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1=CC[N@@H+](C)CC1 ZINC000358107708 151273314 /nfs/dbraw/zinc/27/33/14/151273314.db2.gz ZMABRWCWMMYPHB-NVXWUHKLSA-N 2 1 338.496 1.389 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000358149358 151288227 /nfs/dbraw/zinc/28/82/27/151288227.db2.gz ZAKWGBPDGASTMS-JKSUJKDBSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000358149358 151288228 /nfs/dbraw/zinc/28/82/28/151288228.db2.gz ZAKWGBPDGASTMS-JKSUJKDBSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000358149358 151288230 /nfs/dbraw/zinc/28/82/30/151288230.db2.gz ZAKWGBPDGASTMS-JKSUJKDBSA-N 2 1 342.528 1.593 20 0 EDADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358227296 151311477 /nfs/dbraw/zinc/31/14/77/151311477.db2.gz DMYVWCLMPOCGKJ-BLLLJJGKSA-N 2 1 325.840 1.713 20 0 EDADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358227296 151311480 /nfs/dbraw/zinc/31/14/80/151311480.db2.gz DMYVWCLMPOCGKJ-BLLLJJGKSA-N 2 1 325.840 1.713 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000358259713 151319988 /nfs/dbraw/zinc/31/99/88/151319988.db2.gz UQVSMSMJVKLCAD-FZKQIMNGSA-N 2 1 332.448 1.688 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000358259713 151319989 /nfs/dbraw/zinc/31/99/89/151319989.db2.gz UQVSMSMJVKLCAD-FZKQIMNGSA-N 2 1 332.448 1.688 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)[N@H+]1CCc2sccc2C1 ZINC000417121827 304374689 /nfs/dbraw/zinc/37/46/89/304374689.db2.gz XGEIPUAZHMYRFK-CYBMUJFWSA-N 2 1 336.505 1.888 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360572596 152103871 /nfs/dbraw/zinc/10/38/71/152103871.db2.gz XOZLTMWVXDQLBP-LJQANCHMSA-N 2 1 327.428 1.748 20 0 EDADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)c2csc(C[NH3+])n2)cc1 ZINC000360617705 152125344 /nfs/dbraw/zinc/12/53/44/152125344.db2.gz ICXYMSWDFAOFTR-ZIAGYGMSSA-N 2 1 346.456 1.486 20 0 EDADMP C[C@@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)/C=C/C[NH+](C)C ZINC000361107522 152307980 /nfs/dbraw/zinc/30/79/80/152307980.db2.gz QADBSOYETXOUDF-XCUKTARSSA-N 2 1 345.487 1.852 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1c1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000361264648 152348554 /nfs/dbraw/zinc/34/85/54/152348554.db2.gz JJSYXJRMIPNLFA-UONOGXRCSA-N 2 1 342.447 1.549 20 0 EDADMP C[NH+](C)CC1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)CC1 ZINC000362719698 152792985 /nfs/dbraw/zinc/79/29/85/152792985.db2.gz NLJHGUHXEJPFHL-DLBZAZTESA-N 2 1 338.496 1.223 20 0 EDADMP C[NH+](C)CC1CCN(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)CC1 ZINC000362719698 152792990 /nfs/dbraw/zinc/79/29/90/152792990.db2.gz NLJHGUHXEJPFHL-DLBZAZTESA-N 2 1 338.496 1.223 20 0 EDADMP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@]1([NH+](C)C)CCOc2ccccc21 ZINC000363558431 153000080 /nfs/dbraw/zinc/00/00/80/153000080.db2.gz RMBGJLJIAGPDEW-KXBFYZLASA-N 2 1 331.460 1.636 20 0 EDADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@]1([NH+](C)C)CCOc2ccccc21 ZINC000363558431 153000082 /nfs/dbraw/zinc/00/00/82/153000082.db2.gz RMBGJLJIAGPDEW-KXBFYZLASA-N 2 1 331.460 1.636 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000363696714 153032804 /nfs/dbraw/zinc/03/28/04/153032804.db2.gz WVANUKYAQGNCPT-OKZBNKHCSA-N 2 1 346.475 1.452 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1[NH3+] ZINC000417191619 304382782 /nfs/dbraw/zinc/38/27/82/304382782.db2.gz XYMQIVPRPPZPIJ-RHSMWYFYSA-N 2 1 332.448 1.007 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000364176633 153163699 /nfs/dbraw/zinc/16/36/99/153163699.db2.gz XFUHEGQKAXRSOD-IXDOHACOSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000364249814 153186441 /nfs/dbraw/zinc/18/64/41/153186441.db2.gz MCHYVCOKMNIQBG-XHSDSOJGSA-N 2 1 325.497 1.770 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000364249814 153186443 /nfs/dbraw/zinc/18/64/43/153186443.db2.gz MCHYVCOKMNIQBG-XHSDSOJGSA-N 2 1 325.497 1.770 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000364828097 153345710 /nfs/dbraw/zinc/34/57/10/153345710.db2.gz CXZVSLYJFRFMOR-QGZVFWFLSA-N 2 1 335.492 1.480 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417243179 304387405 /nfs/dbraw/zinc/38/74/05/304387405.db2.gz VGNWLMMMJFLUNU-QGZVFWFLSA-N 2 1 333.480 1.592 20 0 EDADMP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367773042 154262897 /nfs/dbraw/zinc/26/28/97/154262897.db2.gz SEWSYISYEMEDSE-QZTJIDSGSA-N 2 1 338.540 1.497 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417326562 304392113 /nfs/dbraw/zinc/39/21/13/304392113.db2.gz KIXIOTJAQLDPFC-CVEARBPZSA-N 2 1 340.512 1.646 20 0 EDADMP C[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000417340341 304392783 /nfs/dbraw/zinc/39/27/83/304392783.db2.gz MEJCGGUGZRKAQU-BEFAXECRSA-N 2 1 342.487 1.969 20 0 EDADMP O[C@H](COc1ccc(F)cc1)CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369598553 155104226 /nfs/dbraw/zinc/10/42/26/155104226.db2.gz ABNTYPQLEDSOOL-IWKCEXAMSA-N 2 1 334.435 1.982 20 0 EDADMP O[C@H](COc1ccc(F)cc1)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369598553 155104229 /nfs/dbraw/zinc/10/42/29/155104229.db2.gz ABNTYPQLEDSOOL-IWKCEXAMSA-N 2 1 334.435 1.982 20 0 EDADMP O[C@H](COc1ccc(F)cc1)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369598553 155104230 /nfs/dbraw/zinc/10/42/30/155104230.db2.gz ABNTYPQLEDSOOL-IWKCEXAMSA-N 2 1 334.435 1.982 20 0 EDADMP O[C@H](COc1ccc(F)cc1)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369598553 155104233 /nfs/dbraw/zinc/10/42/33/155104233.db2.gz ABNTYPQLEDSOOL-IWKCEXAMSA-N 2 1 334.435 1.982 20 0 EDADMP O[C@H](COc1ccc(F)cc1)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369598553 155104236 /nfs/dbraw/zinc/10/42/36/155104236.db2.gz ABNTYPQLEDSOOL-IWKCEXAMSA-N 2 1 334.435 1.982 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369617404 155113314 /nfs/dbraw/zinc/11/33/14/155113314.db2.gz NOVXOYAAJLCAFR-KGLIPLIRSA-N 2 1 335.452 1.248 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369617404 155113315 /nfs/dbraw/zinc/11/33/15/155113315.db2.gz NOVXOYAAJLCAFR-KGLIPLIRSA-N 2 1 335.452 1.248 20 0 EDADMP C[C@H]1OCC[C@H]1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371406527 155929828 /nfs/dbraw/zinc/92/98/28/155929828.db2.gz LYKZEROLLHCIJY-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)NC[C@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000371585008 156018835 /nfs/dbraw/zinc/01/88/35/156018835.db2.gz FRLJAQDCEAQCIP-HZPDHXFCSA-N 2 1 346.479 1.456 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)NC[C@H]3CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000371585008 156018838 /nfs/dbraw/zinc/01/88/38/156018838.db2.gz FRLJAQDCEAQCIP-HZPDHXFCSA-N 2 1 346.479 1.456 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000371650715 156045611 /nfs/dbraw/zinc/04/56/11/156045611.db2.gz TZDOIVSUMMGOGJ-LZLYRXPVSA-N 2 1 347.507 1.931 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000348912489 292333655 /nfs/dbraw/zinc/33/36/55/292333655.db2.gz PHOVZMNKPAYGJG-UHFFFAOYSA-N 2 1 333.476 1.519 20 0 EDADMP COCCC[NH+](C)CCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000348912489 292333657 /nfs/dbraw/zinc/33/36/57/292333657.db2.gz PHOVZMNKPAYGJG-UHFFFAOYSA-N 2 1 333.476 1.519 20 0 EDADMP COCCC[NH+](C)CCNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000348912489 292333658 /nfs/dbraw/zinc/33/36/58/292333658.db2.gz PHOVZMNKPAYGJG-UHFFFAOYSA-N 2 1 333.476 1.519 20 0 EDADMP CN1CCO[C@H](C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000371775372 156100651 /nfs/dbraw/zinc/10/06/51/156100651.db2.gz XXQNTRSFLNRGRR-MKXGPGLRSA-N 2 1 343.471 1.344 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)C1 ZINC000371775372 156100655 /nfs/dbraw/zinc/10/06/55/156100655.db2.gz XXQNTRSFLNRGRR-MKXGPGLRSA-N 2 1 343.471 1.344 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)C1 ZINC000371775372 156100660 /nfs/dbraw/zinc/10/06/60/156100660.db2.gz XXQNTRSFLNRGRR-MKXGPGLRSA-N 2 1 343.471 1.344 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000371775372 156100667 /nfs/dbraw/zinc/10/06/67/156100667.db2.gz XXQNTRSFLNRGRR-MKXGPGLRSA-N 2 1 343.471 1.344 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000371775372 156100675 /nfs/dbraw/zinc/10/06/75/156100675.db2.gz XXQNTRSFLNRGRR-MKXGPGLRSA-N 2 1 343.471 1.344 20 0 EDADMP CC1(C)CN(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000371884585 156150194 /nfs/dbraw/zinc/15/01/94/156150194.db2.gz SKWQXMVYWLZKFV-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)CC[N@@H+]1C ZINC000372056738 156227573 /nfs/dbraw/zinc/22/75/73/156227573.db2.gz VPWAUFNLTNFFFL-UIDBIOKJSA-N 2 1 329.510 1.405 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)CC[N@H+]1C ZINC000372056738 156227576 /nfs/dbraw/zinc/22/75/76/156227576.db2.gz VPWAUFNLTNFFFL-UIDBIOKJSA-N 2 1 329.510 1.405 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000574974535 306661342 /nfs/dbraw/zinc/66/13/42/306661342.db2.gz AEOWLNLXNZWXRG-ZACQAIPSSA-N 2 1 338.496 1.413 20 0 EDADMP C[N@H+](Cc1cccc(C(N)=O)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372364178 156354140 /nfs/dbraw/zinc/35/41/40/156354140.db2.gz DPTUCAQYWZXYLV-SFHVURJKSA-N 2 1 330.476 1.386 20 0 EDADMP C[N@@H+](Cc1cccc(C(N)=O)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372364178 156354146 /nfs/dbraw/zinc/35/41/46/156354146.db2.gz DPTUCAQYWZXYLV-SFHVURJKSA-N 2 1 330.476 1.386 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ncnn1CCF ZINC000374134501 157157470 /nfs/dbraw/zinc/15/74/70/157157470.db2.gz BNGVYOTXJGVFNO-ILXRZTDVSA-N 2 1 325.432 1.227 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC(N2CCCS2(=O)=O)CC1 ZINC000378185148 158103252 /nfs/dbraw/zinc/10/32/52/158103252.db2.gz RKYFAQSTJOUWHU-RNONSGAXSA-N 2 1 343.537 1.651 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC[NH+]1CCOC ZINC000378354661 158148734 /nfs/dbraw/zinc/14/87/34/158148734.db2.gz HQMLESLXHRGPOT-RCCFBDPRSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H](O)CN(C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378416787 158168431 /nfs/dbraw/zinc/16/84/31/158168431.db2.gz AMPZGMPYBPBFPS-OAHLLOKOSA-N 2 1 340.512 1.205 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000352148412 162012469 /nfs/dbraw/zinc/01/24/69/162012469.db2.gz LIDLKSBFMICCQT-RBUKOAKNSA-N 2 1 342.487 1.015 20 0 EDADMP C[NH+](C[C@H](O)CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000352365282 162142522 /nfs/dbraw/zinc/14/25/22/162142522.db2.gz PVDLFSSGKKIVFL-HKUYNNGSSA-N 2 1 332.492 1.290 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@@H]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000352365282 162142526 /nfs/dbraw/zinc/14/25/26/162142526.db2.gz PVDLFSSGKKIVFL-HKUYNNGSSA-N 2 1 332.492 1.290 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352365282 162142527 /nfs/dbraw/zinc/14/25/27/162142527.db2.gz PVDLFSSGKKIVFL-HKUYNNGSSA-N 2 1 332.492 1.290 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000363064133 162312405 /nfs/dbraw/zinc/31/24/05/162312405.db2.gz SZSFMBJVXLWCSU-UHFFFAOYSA-N 2 1 349.475 1.421 20 0 EDADMP Cc1n[nH]cc1CCCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364231780 162322365 /nfs/dbraw/zinc/32/23/65/162322365.db2.gz QUIGDRCOFWYVTQ-MRXNPFEDSA-N 2 1 348.495 1.118 20 0 EDADMP Cc1n[nH]cc1CCCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364231780 162322366 /nfs/dbraw/zinc/32/23/66/162322366.db2.gz QUIGDRCOFWYVTQ-MRXNPFEDSA-N 2 1 348.495 1.118 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000081020827 287310935 /nfs/dbraw/zinc/31/09/35/287310935.db2.gz GRVQRVSPRBVIBG-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000081020827 287310938 /nfs/dbraw/zinc/31/09/38/287310938.db2.gz GRVQRVSPRBVIBG-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000081020827 287310941 /nfs/dbraw/zinc/31/09/41/287310941.db2.gz GRVQRVSPRBVIBG-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000081020827 287310944 /nfs/dbraw/zinc/31/09/44/287310944.db2.gz GRVQRVSPRBVIBG-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)n(C)n1 ZINC000121873253 287375677 /nfs/dbraw/zinc/37/56/77/287375677.db2.gz ASCYOFWKKCCVHA-HNNXBMFYSA-N 2 1 336.484 1.608 20 0 EDADMP CC[N@@H+](CCNC(=O)NCCC1CC[NH2+]CC1)CCC(F)(F)F ZINC000652182261 452376886 /nfs/dbraw/zinc/37/68/86/452376886.db2.gz HRILPZQUMZTQDV-UHFFFAOYSA-N 2 1 338.418 1.950 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000655680199 452507074 /nfs/dbraw/zinc/50/70/74/452507074.db2.gz JOKXMGHTACDUCW-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275537138 268356764 /nfs/dbraw/zinc/35/67/64/268356764.db2.gz YBWDXQUAKCVWJZ-OAHLLOKOSA-N 2 1 348.491 1.576 20 0 EDADMP CN1CCO[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)C1 ZINC000276089419 268395622 /nfs/dbraw/zinc/39/56/22/268395622.db2.gz VRUXVVDIESNSBY-MSOLQXFVSA-N 2 1 346.475 1.225 20 0 EDADMP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000276089419 268395624 /nfs/dbraw/zinc/39/56/24/268395624.db2.gz VRUXVVDIESNSBY-MSOLQXFVSA-N 2 1 346.475 1.225 20 0 EDADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000276089419 268395626 /nfs/dbraw/zinc/39/56/26/268395626.db2.gz VRUXVVDIESNSBY-MSOLQXFVSA-N 2 1 346.475 1.225 20 0 EDADMP C[NH+](Cc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000276089419 268395627 /nfs/dbraw/zinc/39/56/27/268395627.db2.gz VRUXVVDIESNSBY-MSOLQXFVSA-N 2 1 346.475 1.225 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000275241415 273109075 /nfs/dbraw/zinc/10/90/75/273109075.db2.gz NIPFKCHQRJLPOI-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+](Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000275241415 273109077 /nfs/dbraw/zinc/10/90/77/273109077.db2.gz NIPFKCHQRJLPOI-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CCN(C=O)CC3)cc2)CC1 ZINC000278170884 273251631 /nfs/dbraw/zinc/25/16/31/273251631.db2.gz CKSVXKKLRVZLLC-UHFFFAOYSA-N 2 1 330.476 1.144 20 0 EDADMP C[C@@H]1OCC[C@@]1(O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000278903615 273269543 /nfs/dbraw/zinc/26/95/43/273269543.db2.gz VELNMQKOVFOTSV-HNAYVOBHSA-N 2 1 336.451 1.962 20 0 EDADMP O[C@H](C[NH2+]Cc1ccc(Cl)cc1-n1cncn1)C[NH+]1CCCC1 ZINC000279792236 273327443 /nfs/dbraw/zinc/32/74/43/273327443.db2.gz CYVIMIPTURGNKQ-OAHLLOKOSA-N 2 1 335.839 1.467 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279847323 273333314 /nfs/dbraw/zinc/33/33/14/273333314.db2.gz RXBMYZPLHDWIGX-BPQIPLTHSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279847323 273333315 /nfs/dbraw/zinc/33/33/15/273333315.db2.gz RXBMYZPLHDWIGX-BPQIPLTHSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000279847323 273333316 /nfs/dbraw/zinc/33/33/16/273333316.db2.gz RXBMYZPLHDWIGX-BPQIPLTHSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000279847323 273333317 /nfs/dbraw/zinc/33/33/17/273333317.db2.gz RXBMYZPLHDWIGX-BPQIPLTHSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C[C@@H](C)O1 ZINC000655913511 452673165 /nfs/dbraw/zinc/67/31/65/452673165.db2.gz VBNWPDBAKVDUIK-GMTAPVOTSA-N 2 1 340.390 1.063 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)F)CC1 ZINC000360237091 274026039 /nfs/dbraw/zinc/02/60/39/274026039.db2.gz FOGNTOCIUNZBGK-SJORKVTESA-N 2 1 342.430 1.924 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)Nc2cccc(C[NH+](C)C)c2)[N@@H+](C)C1 ZINC000284702221 274299816 /nfs/dbraw/zinc/29/98/16/274299816.db2.gz JWQKFBBGOTVTBB-IRXDYDNUSA-N 2 1 334.464 1.931 20 0 EDADMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000262092251 275054679 /nfs/dbraw/zinc/05/46/79/275054679.db2.gz HEQBRNRGUFQUCR-IEBWSBKVSA-N 2 1 340.471 1.895 20 0 EDADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000352157863 276044218 /nfs/dbraw/zinc/04/42/18/276044218.db2.gz ZRQUMVPTNWETLD-HOTGVXAUSA-N 2 1 340.512 1.212 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000173711040 276120052 /nfs/dbraw/zinc/12/00/52/276120052.db2.gz OKOKUOHYKJDPCR-KRWDZBQOSA-N 2 1 344.459 1.513 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000173711040 276120054 /nfs/dbraw/zinc/12/00/54/276120054.db2.gz OKOKUOHYKJDPCR-KRWDZBQOSA-N 2 1 344.459 1.513 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000236904523 276243014 /nfs/dbraw/zinc/24/30/14/276243014.db2.gz XIAAZMAJCUZBNL-MSOLQXFVSA-N 2 1 332.492 1.609 20 0 EDADMP CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000361435617 276295354 /nfs/dbraw/zinc/29/53/54/276295354.db2.gz MAUFLAHVWSPZEI-FUHWJXTLSA-N 2 1 326.481 1.889 20 0 EDADMP CCOC(=O)[C@](C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000361435617 276295355 /nfs/dbraw/zinc/29/53/55/276295355.db2.gz MAUFLAHVWSPZEI-FUHWJXTLSA-N 2 1 326.481 1.889 20 0 EDADMP C[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964876 452746414 /nfs/dbraw/zinc/74/64/14/452746414.db2.gz HWSRQIVJRGCNIQ-SOUVJXGZSA-N 2 1 326.485 1.173 20 0 EDADMP C[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964876 452746423 /nfs/dbraw/zinc/74/64/23/452746423.db2.gz HWSRQIVJRGCNIQ-SOUVJXGZSA-N 2 1 326.485 1.173 20 0 EDADMP C[N@H+]([C@@H]1Cc2ccccc2[C@@H]1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371473190 277001963 /nfs/dbraw/zinc/00/19/63/277001963.db2.gz LXBJHDKPZBSEGF-SXLOBPIMSA-N 2 1 329.488 1.745 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000496385707 277068598 /nfs/dbraw/zinc/06/85/98/277068598.db2.gz UGTMEIBOZSPWGK-RKVPGOIHSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000496385707 277068599 /nfs/dbraw/zinc/06/85/99/277068599.db2.gz UGTMEIBOZSPWGK-RKVPGOIHSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000496385707 277068600 /nfs/dbraw/zinc/06/86/00/277068600.db2.gz UGTMEIBOZSPWGK-RKVPGOIHSA-N 2 1 341.496 1.678 20 0 EDADMP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342096286 277078326 /nfs/dbraw/zinc/07/83/26/277078326.db2.gz HAYYWAHZXIMZFZ-JQFCIGGWSA-N 2 1 330.432 1.643 20 0 EDADMP CC(=O)Nc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342096286 277078329 /nfs/dbraw/zinc/07/83/29/277078329.db2.gz HAYYWAHZXIMZFZ-JQFCIGGWSA-N 2 1 330.432 1.643 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000262188009 277104889 /nfs/dbraw/zinc/10/48/89/277104889.db2.gz TWNMSRLKWAQYNU-IBGZPJMESA-N 2 1 344.503 1.481 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000262188009 277104891 /nfs/dbraw/zinc/10/48/91/277104891.db2.gz TWNMSRLKWAQYNU-IBGZPJMESA-N 2 1 344.503 1.481 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000262188009 277104893 /nfs/dbraw/zinc/10/48/93/277104893.db2.gz TWNMSRLKWAQYNU-IBGZPJMESA-N 2 1 344.503 1.481 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000262636352 277105457 /nfs/dbraw/zinc/10/54/57/277105457.db2.gz HTWNMLOGOLBNNJ-ROUUACIJSA-N 2 1 330.476 1.091 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000262636352 277105458 /nfs/dbraw/zinc/10/54/58/277105458.db2.gz HTWNMLOGOLBNNJ-ROUUACIJSA-N 2 1 330.476 1.091 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000262636352 277105459 /nfs/dbraw/zinc/10/54/59/277105459.db2.gz HTWNMLOGOLBNNJ-ROUUACIJSA-N 2 1 330.476 1.091 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000111834923 277222799 /nfs/dbraw/zinc/22/27/99/277222799.db2.gz ORZVFURPPANZTL-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP COC[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000449774545 277266328 /nfs/dbraw/zinc/26/63/28/277266328.db2.gz KNUNCRILWBQJSN-INIZCTEOSA-N 2 1 333.480 1.477 20 0 EDADMP COC[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000449774545 277266329 /nfs/dbraw/zinc/26/63/29/277266329.db2.gz KNUNCRILWBQJSN-INIZCTEOSA-N 2 1 333.480 1.477 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000262940100 277279050 /nfs/dbraw/zinc/27/90/50/277279050.db2.gz UKADVRMNMZQHNT-MAUKXSAKSA-N 2 1 333.476 1.899 20 0 EDADMP COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000249352098 277325507 /nfs/dbraw/zinc/32/55/07/277325507.db2.gz QDNIIQJTBONPAA-IRXDYDNUSA-N 2 1 347.459 1.433 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1[NH+](C)C ZINC000340589016 278150444 /nfs/dbraw/zinc/15/04/44/278150444.db2.gz FSGRSRRARIUEAR-FHLIZLRMSA-N 2 1 347.528 1.937 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C[C@@H]1[NH+](C)C ZINC000340589016 278150446 /nfs/dbraw/zinc/15/04/46/278150446.db2.gz FSGRSRRARIUEAR-FHLIZLRMSA-N 2 1 347.528 1.937 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272754161 278228796 /nfs/dbraw/zinc/22/87/96/278228796.db2.gz JJRPDFSQIXKSPJ-MAUKXSAKSA-N 2 1 348.491 1.393 20 0 EDADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1N(C)C ZINC000354298211 278345035 /nfs/dbraw/zinc/34/50/35/278345035.db2.gz XFDDHFJPGDOZAJ-HZPDHXFCSA-N 2 1 332.492 1.991 20 0 EDADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1N(C)C ZINC000354298211 278345036 /nfs/dbraw/zinc/34/50/36/278345036.db2.gz XFDDHFJPGDOZAJ-HZPDHXFCSA-N 2 1 332.492 1.991 20 0 EDADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CCN(CC(F)(F)F)CC1 ZINC000339169259 278349623 /nfs/dbraw/zinc/34/96/23/278349623.db2.gz NTPXQQRTLRCHBF-IUODEOHRSA-N 2 1 337.430 1.694 20 0 EDADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CCN(CC(F)(F)F)CC1 ZINC000339169259 278349625 /nfs/dbraw/zinc/34/96/25/278349625.db2.gz NTPXQQRTLRCHBF-IUODEOHRSA-N 2 1 337.430 1.694 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000345486158 288107684 /nfs/dbraw/zinc/10/76/84/288107684.db2.gz WMKVGDOJYOBWKS-ZACQAIPSSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000345486158 288107686 /nfs/dbraw/zinc/10/76/86/288107686.db2.gz WMKVGDOJYOBWKS-ZACQAIPSSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000352213434 279108466 /nfs/dbraw/zinc/10/84/66/279108466.db2.gz HUEAAIJJNFSGQD-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000352267314 279112198 /nfs/dbraw/zinc/11/21/98/279112198.db2.gz SKZAYNHLKBTGSE-INIZCTEOSA-N 2 1 331.526 1.512 20 0 EDADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCc2cccnc21 ZINC000367212957 279174108 /nfs/dbraw/zinc/17/41/08/279174108.db2.gz LBOSYMXGXHLKMP-KRWDZBQOSA-N 2 1 330.476 1.945 20 0 EDADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCc2cccnc21 ZINC000367212957 279174110 /nfs/dbraw/zinc/17/41/10/279174110.db2.gz LBOSYMXGXHLKMP-KRWDZBQOSA-N 2 1 330.476 1.945 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418078425 279260522 /nfs/dbraw/zinc/26/05/22/279260522.db2.gz VVMVWRGSSCEZMS-NVXWUHKLSA-N 2 1 334.464 1.314 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000357795079 279270713 /nfs/dbraw/zinc/27/07/13/279270713.db2.gz IMSCIHWQUXLKBE-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000357795079 279270714 /nfs/dbraw/zinc/27/07/14/279270714.db2.gz IMSCIHWQUXLKBE-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C)nc1C ZINC000271932593 279329449 /nfs/dbraw/zinc/32/94/49/279329449.db2.gz LFIHOVVDOBMJTF-INIZCTEOSA-N 2 1 333.480 1.582 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000174203985 279333714 /nfs/dbraw/zinc/33/37/14/279333714.db2.gz FHJPAXVXBHDNDQ-ROUUACIJSA-N 2 1 332.492 1.943 20 0 EDADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000343862328 279361768 /nfs/dbraw/zinc/36/17/68/279361768.db2.gz OHVMDSCXDMCZHB-ZACQAIPSSA-N 2 1 339.528 1.042 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000343862328 279361770 /nfs/dbraw/zinc/36/17/70/279361770.db2.gz OHVMDSCXDMCZHB-ZACQAIPSSA-N 2 1 339.528 1.042 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000343862328 279361772 /nfs/dbraw/zinc/36/17/72/279361772.db2.gz OHVMDSCXDMCZHB-ZACQAIPSSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000287033300 288142141 /nfs/dbraw/zinc/14/21/41/288142141.db2.gz IBFLAXPVMCPTEW-ZIAGYGMSSA-N 2 1 340.493 1.059 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]([NH3+])c2ccccc2)CCCO1 ZINC000418116596 288162596 /nfs/dbraw/zinc/16/25/96/288162596.db2.gz QOQOBYJNRJBYMV-NVXWUHKLSA-N 2 1 334.464 1.487 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000365341445 288193341 /nfs/dbraw/zinc/19/33/41/288193341.db2.gz WWMMGCGYCKJRJB-QZWWFDLISA-N 2 1 338.496 1.221 20 0 EDADMP CC[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000423170127 280185717 /nfs/dbraw/zinc/18/57/17/280185717.db2.gz LASIUYDVQGHAIN-SJORKVTESA-N 2 1 325.497 1.378 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C)[NH+]1CCN(C)CC1 ZINC000345476117 280248349 /nfs/dbraw/zinc/24/83/49/280248349.db2.gz GAIDQFLBAXNOCY-ULQDDVLXSA-N 2 1 339.528 1.040 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000345476117 280248350 /nfs/dbraw/zinc/24/83/50/280248350.db2.gz GAIDQFLBAXNOCY-ULQDDVLXSA-N 2 1 339.528 1.040 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000345476117 280248351 /nfs/dbraw/zinc/24/83/51/280248351.db2.gz GAIDQFLBAXNOCY-ULQDDVLXSA-N 2 1 339.528 1.040 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC[N@H+]1C[C@@H](C)O ZINC000358869439 280365673 /nfs/dbraw/zinc/36/56/73/280365673.db2.gz XQOLKLYOJZLQDY-XYPHTWIQSA-N 2 1 337.439 1.172 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000365375007 288296518 /nfs/dbraw/zinc/29/65/18/288296518.db2.gz DCZCAVNEJBLMFT-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000287778968 288321664 /nfs/dbraw/zinc/32/16/64/288321664.db2.gz IFWODVRGEYCKDU-OAHLLOKOSA-N 2 1 346.475 1.282 20 0 EDADMP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000287778968 288321667 /nfs/dbraw/zinc/32/16/67/288321667.db2.gz IFWODVRGEYCKDU-OAHLLOKOSA-N 2 1 346.475 1.282 20 0 EDADMP CN(C)C1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000422789035 282045032 /nfs/dbraw/zinc/04/50/32/282045032.db2.gz SWJWYGKQYNCHCX-XUVXKRRUSA-N 2 1 343.515 1.832 20 0 EDADMP C[N@@H+](C[C@H](O)CN1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291732976 289164491 /nfs/dbraw/zinc/16/44/91/289164491.db2.gz JRDGQKPGZIQKRY-PMACEKPBSA-N 2 1 332.488 1.759 20 0 EDADMP CN(C[C@H](O)C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291732976 289164492 /nfs/dbraw/zinc/16/44/92/289164492.db2.gz JRDGQKPGZIQKRY-PMACEKPBSA-N 2 1 332.488 1.759 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291732976 289164495 /nfs/dbraw/zinc/16/44/95/289164495.db2.gz JRDGQKPGZIQKRY-PMACEKPBSA-N 2 1 332.488 1.759 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)CN1CCN(c2ccccn2)CC1 ZINC000291744607 289168197 /nfs/dbraw/zinc/16/81/97/289168197.db2.gz BMGGTVZFSXCRGQ-MRXNPFEDSA-N 2 1 333.480 1.049 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCSC1 ZINC000458526768 289341576 /nfs/dbraw/zinc/34/15/76/289341576.db2.gz WMTBGPJENBCYGL-DLBZAZTESA-N 2 1 340.537 1.551 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)c1ccco1 ZINC000074002446 289357914 /nfs/dbraw/zinc/35/79/14/289357914.db2.gz RVMTZDHCWMTKRZ-CQSZACIVSA-N 2 1 338.452 1.292 20 0 EDADMP C[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000340504072 290219790 /nfs/dbraw/zinc/21/97/90/290219790.db2.gz GOAZLZYOKQKJPG-JSXRDJHFSA-N 2 1 343.515 1.868 20 0 EDADMP C[NH+]1CC[C@H](NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000340504072 290219792 /nfs/dbraw/zinc/21/97/92/290219792.db2.gz GOAZLZYOKQKJPG-JSXRDJHFSA-N 2 1 343.515 1.868 20 0 EDADMP C[NH+]1CC[C@H](NC[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000340504072 290219795 /nfs/dbraw/zinc/21/97/95/290219795.db2.gz GOAZLZYOKQKJPG-JSXRDJHFSA-N 2 1 343.515 1.868 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000340504072 290219798 /nfs/dbraw/zinc/21/97/98/290219798.db2.gz GOAZLZYOKQKJPG-JSXRDJHFSA-N 2 1 343.515 1.868 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000340504072 290219800 /nfs/dbraw/zinc/21/98/00/290219800.db2.gz GOAZLZYOKQKJPG-JSXRDJHFSA-N 2 1 343.515 1.868 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C[C@H](C)O1 ZINC000333498314 297015338 /nfs/dbraw/zinc/01/53/38/297015338.db2.gz FCWXAEKTSYAQMZ-UHDSXZAQSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C[C@H](C)O1 ZINC000333498314 297015339 /nfs/dbraw/zinc/01/53/39/297015339.db2.gz FCWXAEKTSYAQMZ-UHDSXZAQSA-N 2 1 338.496 1.268 20 0 EDADMP [NH3+]CC[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(F)F ZINC000418701257 295238448 /nfs/dbraw/zinc/23/84/48/295238448.db2.gz ADQGBBBFRZEXOT-XBFCOCLRSA-N 2 1 330.423 1.627 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CCc3cccs3)CC2)CC[NH2+]1 ZINC000418605434 304517795 /nfs/dbraw/zinc/51/77/95/304517795.db2.gz PNBVEBFROFKCCD-HUUCEWRRSA-N 2 1 336.505 1.758 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418631293 304521949 /nfs/dbraw/zinc/52/19/49/304521949.db2.gz ASXCZZLLADHMBM-MRXNPFEDSA-N 2 1 340.512 1.517 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000660300423 453190354 /nfs/dbraw/zinc/19/03/54/453190354.db2.gz MWYAAGGDWQFJTA-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000660300423 453190362 /nfs/dbraw/zinc/19/03/62/453190362.db2.gz MWYAAGGDWQFJTA-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372867735 447326589 /nfs/dbraw/zinc/32/65/89/447326589.db2.gz HZSKQUAZSWQIDH-RBUKOAKNSA-N 2 1 342.487 1.015 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[N@@H+]1C ZINC000293926892 303039638 /nfs/dbraw/zinc/03/96/38/303039638.db2.gz HOLCXNFDMNCLJA-HDICACEKSA-N 2 1 344.503 1.750 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000294209689 303077356 /nfs/dbraw/zinc/07/73/56/303077356.db2.gz LZUCCHRXIYEWBP-CYBMUJFWSA-N 2 1 334.424 1.462 20 0 EDADMP CC[N@H+]1CC[C@@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000294902869 303153552 /nfs/dbraw/zinc/15/35/52/303153552.db2.gz FRGNJXBCKQCUBP-NSISKUIASA-N 2 1 331.504 1.726 20 0 EDADMP CC[NH+]1CC[C@@H](NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000294902869 303153553 /nfs/dbraw/zinc/15/35/53/303153553.db2.gz FRGNJXBCKQCUBP-NSISKUIASA-N 2 1 331.504 1.726 20 0 EDADMP CC[NH+]1CC[C@@H](NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000294902869 303153555 /nfs/dbraw/zinc/15/35/55/303153555.db2.gz FRGNJXBCKQCUBP-NSISKUIASA-N 2 1 331.504 1.726 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@H](C)C1 ZINC000294902869 303153556 /nfs/dbraw/zinc/15/35/56/303153556.db2.gz FRGNJXBCKQCUBP-NSISKUIASA-N 2 1 331.504 1.726 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@H](C)C1 ZINC000294902869 303153558 /nfs/dbraw/zinc/15/35/58/303153558.db2.gz FRGNJXBCKQCUBP-NSISKUIASA-N 3 1 331.504 1.726 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCSCC2)[C@H](C)C1 ZINC000448525264 447328068 /nfs/dbraw/zinc/32/80/68/447328068.db2.gz PJZZHEUDLIBFPN-HUUCEWRRSA-N 2 1 328.526 1.407 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCSCC2)[C@H](C)C1 ZINC000448525264 447328070 /nfs/dbraw/zinc/32/80/70/447328070.db2.gz PJZZHEUDLIBFPN-HUUCEWRRSA-N 2 1 328.526 1.407 20 0 EDADMP Cn1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000423051850 304884192 /nfs/dbraw/zinc/88/41/92/304884192.db2.gz OJKLTXMEOLAEIL-QGPMSJSTSA-N 2 1 328.460 1.863 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@H]3C)cc2F)CC1 ZINC000423646988 304903148 /nfs/dbraw/zinc/90/31/48/304903148.db2.gz MOVTWFQCHYEUKO-CJNGLKHVSA-N 2 1 334.439 1.529 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])cc2)CC1 ZINC000423843952 304911832 /nfs/dbraw/zinc/91/18/32/304911832.db2.gz NBJXYKHLKUXXKA-UONOGXRCSA-N 2 1 332.448 1.273 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000424001917 304924232 /nfs/dbraw/zinc/92/42/32/304924232.db2.gz NTLZRNVTJXPGIL-SJORKVTESA-N 2 1 342.447 1.203 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000414897443 447347238 /nfs/dbraw/zinc/34/72/38/447347238.db2.gz BNEZYYOFAMKWSL-INIZCTEOSA-N 2 1 346.475 1.535 20 0 EDADMP O=C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000428040696 305005194 /nfs/dbraw/zinc/00/51/94/305005194.db2.gz LPHHWPYCCDMKHN-RTBURBONSA-N 2 1 342.487 1.015 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC(C[NH3+])CC3)CC2)cs1 ZINC000428799426 305017735 /nfs/dbraw/zinc/01/77/35/305017735.db2.gz AWFXVNXNAYWTNG-UHFFFAOYSA-N 2 1 336.505 1.861 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000430586181 305057284 /nfs/dbraw/zinc/05/72/84/305057284.db2.gz VKPVJXZPNHLWHX-DZGCQCFKSA-N 2 1 335.448 1.379 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000430586181 305057285 /nfs/dbraw/zinc/05/72/85/305057285.db2.gz VKPVJXZPNHLWHX-DZGCQCFKSA-N 2 1 335.448 1.379 20 0 EDADMP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000430633087 305060377 /nfs/dbraw/zinc/06/03/77/305060377.db2.gz BIIBJPUTPIFQCQ-HOTGVXAUSA-N 2 1 346.475 1.215 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000430654673 305061353 /nfs/dbraw/zinc/06/13/53/305061353.db2.gz QOCSKQZUQHBKDI-KKUMJFAQSA-N 2 1 349.475 1.940 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000430654673 305061354 /nfs/dbraw/zinc/06/13/54/305061354.db2.gz QOCSKQZUQHBKDI-KKUMJFAQSA-N 2 1 349.475 1.940 20 0 EDADMP CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000430665313 305061845 /nfs/dbraw/zinc/06/18/45/305061845.db2.gz MLCYHZSJKUGXBI-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[NH2+]C[C@H]2CCCO2)[C@H](C)C1 ZINC000430702928 305062923 /nfs/dbraw/zinc/06/29/23/305062923.db2.gz DEXMIPLHERFDDO-ZACQAIPSSA-N 2 1 341.496 1.008 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000430753718 305064135 /nfs/dbraw/zinc/06/41/35/305064135.db2.gz JHJSRJCISOVYQP-GOSISDBHSA-N 2 1 347.459 1.266 20 0 EDADMP COCC[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430842589 305065785 /nfs/dbraw/zinc/06/57/85/305065785.db2.gz USUXCHLLTZCIGO-PKOBYXMFSA-N 2 1 331.460 1.393 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430923525 305068278 /nfs/dbraw/zinc/06/82/78/305068278.db2.gz FSVAJOZBLCHVQE-IHRRRGAJSA-N 2 1 335.448 1.550 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430923525 305068279 /nfs/dbraw/zinc/06/82/79/305068279.db2.gz FSVAJOZBLCHVQE-IHRRRGAJSA-N 2 1 335.448 1.550 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000431009025 305072717 /nfs/dbraw/zinc/07/27/17/305072717.db2.gz VNMUEZPOPCNAGV-CYBMUJFWSA-N 2 1 345.447 1.232 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)C(C)(C)C[NH3+])cc2)CC1 ZINC000431027702 305073155 /nfs/dbraw/zinc/07/31/55/305073155.db2.gz XVNQDDSMIUHSOQ-UHFFFAOYSA-N 2 1 334.464 1.236 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000433072623 305099650 /nfs/dbraw/zinc/09/96/50/305099650.db2.gz PAWOCKAUDMCPQC-FOIPXRHGSA-N 2 1 337.508 1.628 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435236052 305137536 /nfs/dbraw/zinc/13/75/36/305137536.db2.gz HDUORIMJAZVILA-IBGZPJMESA-N 2 1 342.487 1.157 20 0 EDADMP CC[N@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000435626161 305143838 /nfs/dbraw/zinc/14/38/38/305143838.db2.gz JSUQHQKODJUVAQ-HRCADAONSA-N 2 1 338.496 1.855 20 0 EDADMP CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000435626161 305143839 /nfs/dbraw/zinc/14/38/39/305143839.db2.gz JSUQHQKODJUVAQ-HRCADAONSA-N 2 1 338.496 1.855 20 0 EDADMP CNC(=O)NC(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435697645 305145687 /nfs/dbraw/zinc/14/56/87/305145687.db2.gz SVAHKTHTLDZYIK-ZDUSSCGKSA-N 2 1 336.461 1.148 20 0 EDADMP CNC(=O)NC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435697645 305145688 /nfs/dbraw/zinc/14/56/88/305145688.db2.gz SVAHKTHTLDZYIK-ZDUSSCGKSA-N 2 1 336.461 1.148 20 0 EDADMP C[NH2+]CCC[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000435877570 305148827 /nfs/dbraw/zinc/14/88/27/305148827.db2.gz SDYPVGAVMSVNCF-CYBMUJFWSA-N 2 1 345.443 1.910 20 0 EDADMP CC1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000436059649 305151738 /nfs/dbraw/zinc/15/17/38/305151738.db2.gz BYOXWFVBVCXZRH-UYSNPLJNSA-N 2 1 338.496 1.001 20 0 EDADMP CC1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000436059649 305151739 /nfs/dbraw/zinc/15/17/39/305151739.db2.gz BYOXWFVBVCXZRH-UYSNPLJNSA-N 2 1 338.496 1.001 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660701346 453524725 /nfs/dbraw/zinc/52/47/25/453524725.db2.gz RBDCFKMGQHFTGG-GJZGRUSLSA-N 2 1 326.485 1.269 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000439484484 305198508 /nfs/dbraw/zinc/19/85/08/305198508.db2.gz FBMWCZMCHPCBPX-VYDXJSESSA-N 2 1 340.537 1.692 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448212353 305293858 /nfs/dbraw/zinc/29/38/58/305293858.db2.gz HTEYGDFXFOLBFC-IIDMSEBBSA-N 2 1 332.492 1.881 20 0 EDADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448212353 305293859 /nfs/dbraw/zinc/29/38/59/305293859.db2.gz HTEYGDFXFOLBFC-IIDMSEBBSA-N 2 1 332.492 1.881 20 0 EDADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448212353 305293860 /nfs/dbraw/zinc/29/38/60/305293860.db2.gz HTEYGDFXFOLBFC-IIDMSEBBSA-N 2 1 332.492 1.881 20 0 EDADMP COc1nccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000449235168 305309098 /nfs/dbraw/zinc/30/90/98/305309098.db2.gz FHJZRNKOGDRNHQ-UHFFFAOYSA-N 2 1 333.480 1.335 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000449337515 305311868 /nfs/dbraw/zinc/31/18/68/305311868.db2.gz BWTOPZDVKYPMAD-UKPHBRMFSA-N 2 1 344.459 1.178 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@H](O)C(C)(C)C)C2)CC1 ZINC000451528718 305351356 /nfs/dbraw/zinc/35/13/56/305351356.db2.gz MDTHMNLKIRNDLP-MSOLQXFVSA-N 2 1 339.524 1.660 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@H](O)C(C)(C)C)C2)CC1 ZINC000451528718 305351357 /nfs/dbraw/zinc/35/13/57/305351357.db2.gz MDTHMNLKIRNDLP-MSOLQXFVSA-N 2 1 339.524 1.660 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)C(C)(C)C)C2)CC1 ZINC000451528718 305351358 /nfs/dbraw/zinc/35/13/58/305351358.db2.gz MDTHMNLKIRNDLP-MSOLQXFVSA-N 2 1 339.524 1.660 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)C(C)(C)C)C2)CC1 ZINC000451528718 305351359 /nfs/dbraw/zinc/35/13/59/305351359.db2.gz MDTHMNLKIRNDLP-MSOLQXFVSA-N 2 1 339.524 1.660 20 0 EDADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)CCCCC1 ZINC000452371203 305394071 /nfs/dbraw/zinc/39/40/71/305394071.db2.gz HPPGZENQIMEVRG-INIZCTEOSA-N 2 1 325.497 1.462 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000414909850 447353608 /nfs/dbraw/zinc/35/36/08/447353608.db2.gz CNYIQXJKTOEHOG-MRXNPFEDSA-N 2 1 332.448 1.287 20 0 EDADMP CC1(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[NH2+]CC1 ZINC000521985035 305796560 /nfs/dbraw/zinc/79/65/60/305796560.db2.gz HDOFCPUWOWOYCG-UHFFFAOYSA-N 2 1 346.475 1.460 20 0 EDADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530225253 305934821 /nfs/dbraw/zinc/93/48/21/305934821.db2.gz UXSJPNWFSZSEKC-SFHVURJKSA-N 2 1 336.480 1.952 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)C1 ZINC000414944412 447366917 /nfs/dbraw/zinc/36/69/17/447366917.db2.gz OAFXZLTYQUZMIM-GUYCJALGSA-N 2 1 344.459 1.116 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000546015759 306089851 /nfs/dbraw/zinc/08/98/51/306089851.db2.gz OSTKTBKIUVQQBF-INIZCTEOSA-N 2 1 325.497 1.556 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000548102793 306119980 /nfs/dbraw/zinc/11/99/80/306119980.db2.gz FXOVEBFKEHKNAN-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000548102793 306119981 /nfs/dbraw/zinc/11/99/81/306119981.db2.gz FXOVEBFKEHKNAN-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000548102793 306119982 /nfs/dbraw/zinc/11/99/82/306119982.db2.gz FXOVEBFKEHKNAN-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000551739249 306160812 /nfs/dbraw/zinc/16/08/12/306160812.db2.gz YUMFITBMTVLBQG-MOPGFXCFSA-N 2 1 347.503 1.718 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000553481287 306185625 /nfs/dbraw/zinc/18/56/25/306185625.db2.gz IJNDDKCPCCBCBC-MJGOQNOKSA-N 2 1 345.487 1.593 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000553481287 306185626 /nfs/dbraw/zinc/18/56/26/306185626.db2.gz IJNDDKCPCCBCBC-MJGOQNOKSA-N 2 1 345.487 1.593 20 0 EDADMP O=C(C[NH2+]Cc1ccc2nc[nH]c2c1)NCC[NH+]1CCCCCC1 ZINC000556891347 306220993 /nfs/dbraw/zinc/22/09/93/306220993.db2.gz CCXZEVPDDDOXDW-UHFFFAOYSA-N 2 1 329.448 1.645 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)NC[C@@H]1CCC[NH2+]C1 ZINC000557197034 306226173 /nfs/dbraw/zinc/22/61/73/306226173.db2.gz NLUDPCBMRJNPIH-MSOLQXFVSA-N 2 1 330.476 1.950 20 0 EDADMP COCC1(CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC[NH2+]CC1 ZINC000557218825 306226633 /nfs/dbraw/zinc/22/66/33/306226633.db2.gz FJJXKKXVXZQVLE-UHFFFAOYSA-N 2 1 340.512 1.518 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](CN[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000414955997 447371984 /nfs/dbraw/zinc/37/19/84/447371984.db2.gz PJRBTFWKQAZMQW-HNAYVOBHSA-N 2 1 340.471 1.627 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000414970297 447378561 /nfs/dbraw/zinc/37/85/61/447378561.db2.gz UPYATYNONGKPPO-OAHLLOKOSA-N 2 1 334.464 1.681 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000449625876 447379817 /nfs/dbraw/zinc/37/98/17/447379817.db2.gz CKJBBLKRLIYPEQ-MRXNPFEDSA-N 2 1 332.496 1.145 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000414984529 447384844 /nfs/dbraw/zinc/38/48/44/447384844.db2.gz MDHAOZKCDCNOPC-HNNXBMFYSA-N 2 1 346.475 1.439 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000415296586 447403962 /nfs/dbraw/zinc/40/39/62/447403962.db2.gz MTGWJCDPFIMOBH-CZUORRHYSA-N 2 1 332.448 1.586 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000419806626 447424628 /nfs/dbraw/zinc/42/46/28/447424628.db2.gz COZWOLVKNFCXSW-IAOVAPTHSA-N 2 1 344.459 1.066 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)C(C)C ZINC000102551662 441169274 /nfs/dbraw/zinc/16/92/74/441169274.db2.gz CCCNSXWZNTWUOW-KRWDZBQOSA-N 2 1 341.544 1.288 20 0 EDADMP CC[N@H+](CCNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)C(C)C ZINC000102551662 441169279 /nfs/dbraw/zinc/16/92/79/441169279.db2.gz CCCNSXWZNTWUOW-KRWDZBQOSA-N 2 1 341.544 1.288 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)C(C)C ZINC000102551662 441169284 /nfs/dbraw/zinc/16/92/84/441169284.db2.gz CCCNSXWZNTWUOW-KRWDZBQOSA-N 2 1 341.544 1.288 20 0 EDADMP C[C@@H](C(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101645873 441160326 /nfs/dbraw/zinc/16/03/26/441160326.db2.gz ZLGNDOMJBUZVPG-TWMKSMIVSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000101645873 441160330 /nfs/dbraw/zinc/16/03/30/441160330.db2.gz ZLGNDOMJBUZVPG-TWMKSMIVSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000101645873 441160332 /nfs/dbraw/zinc/16/03/32/441160332.db2.gz ZLGNDOMJBUZVPG-TWMKSMIVSA-N 2 1 337.508 1.959 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000047883876 441232817 /nfs/dbraw/zinc/23/28/17/441232817.db2.gz QAHSNAUJRKASRR-KRWDZBQOSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NCC[N@@H+]1CCc2sccc2C1)[NH+](C)C1CC1 ZINC000105178070 441240533 /nfs/dbraw/zinc/24/05/33/441240533.db2.gz SFRZWAKUGUNLSK-CYBMUJFWSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CNC(=O)NCC[N@H+]1CCc2sccc2C1)[NH+](C)C1CC1 ZINC000105178070 441240536 /nfs/dbraw/zinc/24/05/36/441240536.db2.gz SFRZWAKUGUNLSK-CYBMUJFWSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCc2sccc2C1)[N@H+](C)C1CC1 ZINC000105178070 441240537 /nfs/dbraw/zinc/24/05/37/441240537.db2.gz SFRZWAKUGUNLSK-CYBMUJFWSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCc2sccc2C1)[N@@H+](C)C1CC1 ZINC000105178070 441240539 /nfs/dbraw/zinc/24/05/39/441240539.db2.gz SFRZWAKUGUNLSK-CYBMUJFWSA-N 2 1 336.505 1.888 20 0 EDADMP COc1ccccc1CC[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000104709497 441200053 /nfs/dbraw/zinc/20/00/53/441200053.db2.gz VUEXMILGNIAEHH-UHFFFAOYSA-N 2 1 345.487 1.913 20 0 EDADMP COc1ccccc1CC[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000104709497 441200058 /nfs/dbraw/zinc/20/00/58/441200058.db2.gz VUEXMILGNIAEHH-UHFFFAOYSA-N 2 1 345.487 1.913 20 0 EDADMP CN1CC[NH+](CCCCNC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000104782826 441208653 /nfs/dbraw/zinc/20/86/53/441208653.db2.gz KCJRUVGJDNCXAF-UHFFFAOYSA-N 2 1 339.528 1.188 20 0 EDADMP C[N@H+](CCNC(=O)NCCCCN1CC[NH+](C)CC1)C1CCCC1 ZINC000104782826 441208656 /nfs/dbraw/zinc/20/86/56/441208656.db2.gz KCJRUVGJDNCXAF-UHFFFAOYSA-N 2 1 339.528 1.188 20 0 EDADMP C[N@@H+](CCNC(=O)NCCCCN1CC[NH+](C)CC1)C1CCCC1 ZINC000104782826 441208658 /nfs/dbraw/zinc/20/86/58/441208658.db2.gz KCJRUVGJDNCXAF-UHFFFAOYSA-N 2 1 339.528 1.188 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000104866898 441217525 /nfs/dbraw/zinc/21/75/25/441217525.db2.gz PMMBJEIXDPTGCW-MSOLQXFVSA-N 2 1 330.476 1.186 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000104866898 441217529 /nfs/dbraw/zinc/21/75/29/441217529.db2.gz PMMBJEIXDPTGCW-MSOLQXFVSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)[N@H+](C)C1CC1 ZINC000104897097 441219703 /nfs/dbraw/zinc/21/97/03/441219703.db2.gz JHTSIFXMSVIYET-HNAYVOBHSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)[N@@H+](C)C1CC1 ZINC000104897097 441219707 /nfs/dbraw/zinc/21/97/07/441219707.db2.gz JHTSIFXMSVIYET-HNAYVOBHSA-N 2 1 345.487 1.783 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000063744258 441349238 /nfs/dbraw/zinc/34/92/38/441349238.db2.gz KEFGSIJWSPLDES-UHFFFAOYSA-N 2 1 337.464 1.325 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC000051998609 441430629 /nfs/dbraw/zinc/43/06/29/441430629.db2.gz KIXJUGIIRVHPJU-IBGZPJMESA-N 2 1 347.503 1.634 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC000051998609 441430632 /nfs/dbraw/zinc/43/06/32/441430632.db2.gz KIXJUGIIRVHPJU-IBGZPJMESA-N 2 1 347.503 1.634 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC000051998609 441430635 /nfs/dbraw/zinc/43/06/35/441430635.db2.gz KIXJUGIIRVHPJU-IBGZPJMESA-N 2 1 347.503 1.634 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000052869979 441482649 /nfs/dbraw/zinc/48/26/49/441482649.db2.gz PNSAONCHYBZAME-BRWVUGGUSA-N 2 1 325.497 1.437 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066916646 441585576 /nfs/dbraw/zinc/58/55/76/441585576.db2.gz OCZKZWLVOFHXHW-WCXIOVBPSA-N 2 1 327.513 1.967 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066916646 441585578 /nfs/dbraw/zinc/58/55/78/441585578.db2.gz OCZKZWLVOFHXHW-WCXIOVBPSA-N 2 1 327.513 1.967 20 0 EDADMP CC[N@H+]1CC[C@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000090038591 441616663 /nfs/dbraw/zinc/61/66/63/441616663.db2.gz KBOORIFQXYAWRP-APWZRJJASA-N 2 1 346.519 1.798 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000090038591 441616666 /nfs/dbraw/zinc/61/66/66/441616666.db2.gz KBOORIFQXYAWRP-APWZRJJASA-N 3 1 346.519 1.798 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000090038591 441616668 /nfs/dbraw/zinc/61/66/68/441616668.db2.gz KBOORIFQXYAWRP-APWZRJJASA-N 3 1 346.519 1.798 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000090232051 441627184 /nfs/dbraw/zinc/62/71/84/441627184.db2.gz DBCKMDDHVFVXES-WWGRRREGSA-N 2 1 329.510 1.261 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000090232053 441627277 /nfs/dbraw/zinc/62/72/77/441627277.db2.gz DBCKMDDHVFVXES-DVOMOZLQSA-N 2 1 329.510 1.261 20 0 EDADMP CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114459811 441657877 /nfs/dbraw/zinc/65/78/77/441657877.db2.gz CYICSDHCEMKJEV-SJORKVTESA-N 2 1 325.497 1.601 20 0 EDADMP CC(C)S(=O)(=O)CCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000121623580 441745221 /nfs/dbraw/zinc/74/52/21/441745221.db2.gz JOZHLGMFGPTARQ-UHFFFAOYSA-N 2 1 346.537 1.777 20 0 EDADMP CC(C)COC[C@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000116399967 441818653 /nfs/dbraw/zinc/81/86/53/441818653.db2.gz PVIPIUJEJJQEOW-QZTJIDSGSA-N 2 1 327.513 1.122 20 0 EDADMP CC(C)COC[C@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000116399967 441818658 /nfs/dbraw/zinc/81/86/58/441818658.db2.gz PVIPIUJEJJQEOW-QZTJIDSGSA-N 2 1 327.513 1.122 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NCC[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000068414915 441793156 /nfs/dbraw/zinc/79/31/56/441793156.db2.gz HHUHONIXVQISBE-IBGZPJMESA-N 2 1 344.503 1.577 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000121870105 441799714 /nfs/dbraw/zinc/79/97/14/441799714.db2.gz GGVKMXKCXQTBLV-CQSZACIVSA-N 2 1 326.403 1.980 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000173891226 441857907 /nfs/dbraw/zinc/85/79/07/441857907.db2.gz UICSJUIDFHHWQM-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093135178 441859199 /nfs/dbraw/zinc/85/91/99/441859199.db2.gz BZFKGAQOPGWNDX-QGZVFWFLSA-N 2 1 331.464 1.691 20 0 EDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000093261492 441871047 /nfs/dbraw/zinc/87/10/47/441871047.db2.gz JHNGRYPGAMQTQJ-AWEZNQCLSA-N 2 1 332.448 1.508 20 0 EDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000093261492 441871052 /nfs/dbraw/zinc/87/10/52/441871052.db2.gz JHNGRYPGAMQTQJ-AWEZNQCLSA-N 2 1 332.448 1.508 20 0 EDADMP C[NH+]1CCC(NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)CC1 ZINC000140982451 441845963 /nfs/dbraw/zinc/84/59/63/441845963.db2.gz OZLFDIDAJWYDDK-SFHVURJKSA-N 3 1 341.459 1.012 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000118781175 441904154 /nfs/dbraw/zinc/90/41/54/441904154.db2.gz GISADLDKMUBBEZ-UHFFFAOYSA-N 2 1 342.487 1.749 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000069221697 441905789 /nfs/dbraw/zinc/90/57/89/441905789.db2.gz JUBYDSZRHJTZOK-HDICACEKSA-N 2 1 333.524 1.990 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000069221697 441905795 /nfs/dbraw/zinc/90/57/95/441905795.db2.gz JUBYDSZRHJTZOK-HDICACEKSA-N 2 1 333.524 1.990 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000174280723 441910467 /nfs/dbraw/zinc/91/04/67/441910467.db2.gz RJDMLJLICJLUAA-IAGOWNOFSA-N 2 1 338.496 1.082 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1cccc(OC)c1 ZINC000174519161 441933945 /nfs/dbraw/zinc/93/39/45/441933945.db2.gz VZKIXZZEVZEDFH-ZWKOTPCHSA-N 2 1 349.475 1.525 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1cccc(OC)c1 ZINC000174519161 441933948 /nfs/dbraw/zinc/93/39/48/441933948.db2.gz VZKIXZZEVZEDFH-ZWKOTPCHSA-N 2 1 349.475 1.525 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccsc1 ZINC000174625813 441945267 /nfs/dbraw/zinc/94/52/67/441945267.db2.gz PORIMIOHMXBBNK-GJZGRUSLSA-N 2 1 325.478 1.578 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccsc1 ZINC000174625813 441945270 /nfs/dbraw/zinc/94/52/70/441945270.db2.gz PORIMIOHMXBBNK-GJZGRUSLSA-N 2 1 325.478 1.578 20 0 EDADMP COc1ccc(COC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150786006 441950744 /nfs/dbraw/zinc/95/07/44/441950744.db2.gz JPQFESVRWDXCDJ-MOPGFXCFSA-N 2 1 348.487 1.990 20 0 EDADMP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721009 441959214 /nfs/dbraw/zinc/95/92/14/441959214.db2.gz ZIZSYPHQKXPTBT-GOSISDBHSA-N 2 1 346.519 1.603 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000120074176 442003125 /nfs/dbraw/zinc/00/31/25/442003125.db2.gz DLIMHSZDWLIBHT-IBGZPJMESA-N 2 1 344.459 1.402 20 0 EDADMP CC[NH+](CC)CCNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000175489562 442072526 /nfs/dbraw/zinc/07/25/26/442072526.db2.gz RYUIMEFXZBRRPN-UHFFFAOYSA-N 2 1 348.495 1.703 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162551955 442103541 /nfs/dbraw/zinc/10/35/41/442103541.db2.gz CKTLYPFQUHORTE-QYZOEREBSA-N 3 1 338.540 1.103 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162551955 442103542 /nfs/dbraw/zinc/10/35/42/442103542.db2.gz CKTLYPFQUHORTE-QYZOEREBSA-N 2 1 338.540 1.103 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000152289351 442193020 /nfs/dbraw/zinc/19/30/20/442193020.db2.gz BNFDMEAVPGCSAD-MSOLQXFVSA-N 2 1 325.497 1.284 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000152289351 442193025 /nfs/dbraw/zinc/19/30/25/442193025.db2.gz BNFDMEAVPGCSAD-MSOLQXFVSA-N 2 1 325.497 1.284 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000152289351 442193032 /nfs/dbraw/zinc/19/30/32/442193032.db2.gz BNFDMEAVPGCSAD-MSOLQXFVSA-N 2 1 325.497 1.284 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C[N@H+]1C1CC1 ZINC000127419630 442200844 /nfs/dbraw/zinc/20/08/44/442200844.db2.gz HNDIJDKYULTLNV-CABCVRRESA-N 2 1 336.480 1.118 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000165946805 442212212 /nfs/dbraw/zinc/21/22/12/442212212.db2.gz SQOZZLMMHVMFGR-SZMVWBNQSA-N 2 1 331.460 1.659 20 0 EDADMP COC1(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CC[NH2+]CC1 ZINC000166033673 442213328 /nfs/dbraw/zinc/21/33/28/442213328.db2.gz GFTPJZQUDVCEFR-UHFFFAOYSA-N 2 1 346.406 1.705 20 0 EDADMP O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000166689728 442217498 /nfs/dbraw/zinc/21/74/98/442217498.db2.gz PNXTXAYXKNLIMU-MRXNPFEDSA-N 2 1 349.500 1.943 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000153121000 442262461 /nfs/dbraw/zinc/26/24/61/442262461.db2.gz JTPQFESXLCGXTH-KRWDZBQOSA-N 2 1 333.476 1.734 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000153121000 442262464 /nfs/dbraw/zinc/26/24/64/442262464.db2.gz JTPQFESXLCGXTH-KRWDZBQOSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000153121000 442262466 /nfs/dbraw/zinc/26/24/66/442262466.db2.gz JTPQFESXLCGXTH-KRWDZBQOSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000153121000 442262467 /nfs/dbraw/zinc/26/24/67/442262467.db2.gz JTPQFESXLCGXTH-KRWDZBQOSA-N 2 1 333.476 1.734 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171038450 442302383 /nfs/dbraw/zinc/30/23/83/442302383.db2.gz JXXATTCHIPJKOU-LJQANCHMSA-N 2 1 342.487 1.924 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000129591551 442324646 /nfs/dbraw/zinc/32/46/46/442324646.db2.gz ARQJQYZLTBUKBP-MRXNPFEDSA-N 2 1 333.480 1.869 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000129591551 442324648 /nfs/dbraw/zinc/32/46/48/442324648.db2.gz ARQJQYZLTBUKBP-MRXNPFEDSA-N 2 1 333.480 1.869 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000171200915 442327063 /nfs/dbraw/zinc/32/70/63/442327063.db2.gz USRCNEDCDWQBEA-HZPDHXFCSA-N 2 1 342.528 1.620 20 0 EDADMP CN1CCN(c2ncc(C[N@@H+](C[C@H]3CCOC3)C3CC3)cn2)CC1 ZINC000130001073 442337059 /nfs/dbraw/zinc/33/70/59/442337059.db2.gz QZWCEJDXIXIDJA-OAHLLOKOSA-N 2 1 331.464 1.229 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+](C[C@H]3CCOC3)C3CC3)cn2)CC1 ZINC000130001073 442337065 /nfs/dbraw/zinc/33/70/65/442337065.db2.gz QZWCEJDXIXIDJA-OAHLLOKOSA-N 2 1 331.464 1.229 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000154570043 442346145 /nfs/dbraw/zinc/34/61/45/442346145.db2.gz VKAPXTUJDPZMAT-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000154570043 442346146 /nfs/dbraw/zinc/34/61/46/442346146.db2.gz VKAPXTUJDPZMAT-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000154570043 442346147 /nfs/dbraw/zinc/34/61/47/442346147.db2.gz VKAPXTUJDPZMAT-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CCN1CC[NH+]([C@H]2CCN(Cc3csc(N(C)C4CC4)n3)C2)CC1 ZINC000130565937 442349635 /nfs/dbraw/zinc/34/96/35/442349635.db2.gz HBFYHAMQFOWODQ-KRWDZBQOSA-N 2 1 349.548 1.954 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C[N@H+]1C1CC1 ZINC000177221123 442315040 /nfs/dbraw/zinc/31/50/40/442315040.db2.gz NGZGEEOETQHASF-JKSUJKDBSA-N 2 1 335.492 1.763 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1n1ccnc1 ZINC000129457480 442317421 /nfs/dbraw/zinc/31/74/21/442317421.db2.gz MLUOHJLNBATJPY-YJBOKZPZSA-N 3 1 345.491 1.509 20 0 EDADMP C[N@@H+](CC(=O)N1CCN(Cc2cccnc2)CC1)[C@H]1CCSC1 ZINC000154035340 442317766 /nfs/dbraw/zinc/31/77/66/442317766.db2.gz ZNBPFKHHUIOILO-INIZCTEOSA-N 2 1 334.489 1.163 20 0 EDADMP CN(CC(=O)N1CCN(Cc2cccnc2)CC1)[C@H]1CCSC1 ZINC000154035340 442317767 /nfs/dbraw/zinc/31/77/67/442317767.db2.gz ZNBPFKHHUIOILO-INIZCTEOSA-N 2 1 334.489 1.163 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CCCn1ccnc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000154995789 442369213 /nfs/dbraw/zinc/36/92/13/442369213.db2.gz MNEWGASWBQPEQX-ZACQAIPSSA-N 2 1 336.480 1.865 20 0 EDADMP CC[NH+]1CCN([C@H](C)CNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000155998469 442441614 /nfs/dbraw/zinc/44/16/14/442441614.db2.gz USNRWBQIXBZZKO-MRXNPFEDSA-N 2 1 335.496 1.539 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000156005256 442442086 /nfs/dbraw/zinc/44/20/86/442442086.db2.gz NMDCDXRJPJJFHK-MSOLQXFVSA-N 2 1 338.540 1.641 20 0 EDADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000178666743 442454338 /nfs/dbraw/zinc/45/43/38/442454338.db2.gz NSJMGRKUCNJJQB-AWEZNQCLSA-N 2 1 332.448 1.460 20 0 EDADMP O=S(=O)(c1ccc(F)cc1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178955141 442538083 /nfs/dbraw/zinc/53/80/83/442538083.db2.gz KORKMRYQQPJYOX-UHFFFAOYSA-N 2 1 341.452 1.132 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000178985781 442544684 /nfs/dbraw/zinc/54/46/84/442544684.db2.gz PPYJVHAPEALSSA-UHFFFAOYSA-N 2 1 339.524 1.924 20 0 EDADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000192017587 442569274 /nfs/dbraw/zinc/56/92/74/442569274.db2.gz UJFDFDSZVNXINN-RYUDHWBXSA-N 2 1 325.375 1.083 20 0 EDADMP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3Cc3ccc(F)cc3)C[C@H]2C1 ZINC000192471108 442650470 /nfs/dbraw/zinc/65/04/70/442650470.db2.gz WOCPLJXKINPTIM-JZXOWHBKSA-N 2 1 331.435 1.810 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3Cc3ccc(F)cc3)C[C@H]2C1 ZINC000192471108 442650472 /nfs/dbraw/zinc/65/04/72/442650472.db2.gz WOCPLJXKINPTIM-JZXOWHBKSA-N 2 1 331.435 1.810 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)C[C@H]2C1 ZINC000192471108 442650473 /nfs/dbraw/zinc/65/04/73/442650473.db2.gz WOCPLJXKINPTIM-JZXOWHBKSA-N 2 1 331.435 1.810 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)C[C@H]2C1 ZINC000192471108 442650475 /nfs/dbraw/zinc/65/04/75/442650475.db2.gz WOCPLJXKINPTIM-JZXOWHBKSA-N 2 1 331.435 1.810 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@]3(C)CCCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000181011962 442674842 /nfs/dbraw/zinc/67/48/42/442674842.db2.gz RTJLMOPXPXFJPE-SFHVURJKSA-N 2 1 331.464 1.711 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000180870140 442666339 /nfs/dbraw/zinc/66/63/39/442666339.db2.gz HLSWFRKWBHZHRV-GOSISDBHSA-N 2 1 333.476 1.600 20 0 EDADMP CC(C)[NH+](C)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000180870140 442666341 /nfs/dbraw/zinc/66/63/41/442666341.db2.gz HLSWFRKWBHZHRV-GOSISDBHSA-N 2 1 333.476 1.600 20 0 EDADMP CC(C)[NH+](C)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000180870140 442666342 /nfs/dbraw/zinc/66/63/42/442666342.db2.gz HLSWFRKWBHZHRV-GOSISDBHSA-N 2 1 333.476 1.600 20 0 EDADMP Cc1ccc(OC[C@H](O)C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000180935598 442670039 /nfs/dbraw/zinc/67/00/39/442670039.db2.gz GGQSBNZSENRYLU-LJQANCHMSA-N 2 1 349.519 1.693 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H]2CCCC[C@@H]2C)C1 ZINC000192628794 442670254 /nfs/dbraw/zinc/67/02/54/442670254.db2.gz KMSOPADWHMETOF-RCCFBDPRSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H]2CCCC[C@@H]2C)C1 ZINC000192628794 442670256 /nfs/dbraw/zinc/67/02/56/442670256.db2.gz KMSOPADWHMETOF-RCCFBDPRSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)C1 ZINC000192628794 442670258 /nfs/dbraw/zinc/67/02/58/442670258.db2.gz KMSOPADWHMETOF-RCCFBDPRSA-N 2 1 339.524 1.970 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCN(C)Cc3ccc(F)cc3)C2)CC1 ZINC000181695311 442710720 /nfs/dbraw/zinc/71/07/20/442710720.db2.gz WFCLGPWPXBDMMY-FQEVSTJZSA-N 2 1 348.510 1.969 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)[C@@H](C)C1 ZINC000246562426 442793350 /nfs/dbraw/zinc/79/33/50/442793350.db2.gz XHFLZQUGBPQJNM-BBRMVZONSA-N 2 1 329.510 1.263 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C[NH+]1CCOCC1 ZINC000246616857 442796916 /nfs/dbraw/zinc/79/69/16/442796916.db2.gz DWKZQMYAIOBXOZ-IXDOHACOSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C[NH+]1CCOCC1 ZINC000246616857 442796921 /nfs/dbraw/zinc/79/69/21/442796921.db2.gz DWKZQMYAIOBXOZ-IXDOHACOSA-N 2 1 338.496 1.080 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000246363990 442776638 /nfs/dbraw/zinc/77/66/38/442776638.db2.gz YNZNPVXSRLJEPA-QZTJIDSGSA-N 2 1 333.476 1.642 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCOCC2)[C@H](C)C1 ZINC000246418145 442781038 /nfs/dbraw/zinc/78/10/38/442781038.db2.gz LMPDAKQFGDRCGE-OAGGEKHMSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCc2cn3ccc(C)cc3n2)C1 ZINC000265521421 442807525 /nfs/dbraw/zinc/80/75/25/442807525.db2.gz HYULKKWSHYSPND-CQSZACIVSA-N 2 1 331.420 1.163 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)C[NH+]1CCCC1 ZINC000193934462 442815051 /nfs/dbraw/zinc/81/50/51/442815051.db2.gz AAXGHMCIDNAABE-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)C[NH+]1CCCC1 ZINC000193934462 442815056 /nfs/dbraw/zinc/81/50/56/442815056.db2.gz AAXGHMCIDNAABE-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)CN(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)C(=O)OC ZINC000247007817 442827997 /nfs/dbraw/zinc/82/79/97/442827997.db2.gz LKRGLVOONNHTJA-IVSAIRAKSA-N 2 1 341.496 1.352 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H](C)C1 ZINC000247125224 442836671 /nfs/dbraw/zinc/83/66/71/442836671.db2.gz UZPYBJFROUBBAH-STQMWFEESA-N 2 1 339.402 1.392 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H](C)C1 ZINC000247125224 442836675 /nfs/dbraw/zinc/83/66/75/442836675.db2.gz UZPYBJFROUBBAH-STQMWFEESA-N 2 1 339.402 1.392 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N1CCN(c2nccn2C)CC1)c1ccccc1 ZINC000265745170 442904117 /nfs/dbraw/zinc/90/41/17/442904117.db2.gz HGHSRRCIRUDXCB-QGZVFWFLSA-N 2 1 341.459 1.762 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000249176410 442959591 /nfs/dbraw/zinc/95/95/91/442959591.db2.gz ZIVARMYZHIHUFZ-OWCLPIDISA-N 2 1 340.512 1.346 20 0 EDADMP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265893660 442960437 /nfs/dbraw/zinc/96/04/37/442960437.db2.gz LAXNZXORMLXMJS-ZWKOTPCHSA-N 2 1 331.460 1.298 20 0 EDADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265893660 442960440 /nfs/dbraw/zinc/96/04/40/442960440.db2.gz LAXNZXORMLXMJS-ZWKOTPCHSA-N 2 1 331.460 1.298 20 0 EDADMP CN(C[C@H]1CC[NH+](C)C1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265893660 442960445 /nfs/dbraw/zinc/96/04/45/442960445.db2.gz LAXNZXORMLXMJS-ZWKOTPCHSA-N 2 1 331.460 1.298 20 0 EDADMP CN(C[C@H]1CC[NH+](C)C1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265893660 442960450 /nfs/dbraw/zinc/96/04/50/442960450.db2.gz LAXNZXORMLXMJS-ZWKOTPCHSA-N 2 1 331.460 1.298 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000195013004 442976307 /nfs/dbraw/zinc/97/63/07/442976307.db2.gz CQTUTFFPMFPEJY-VVLHAWIVSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000195013004 442976310 /nfs/dbraw/zinc/97/63/10/442976310.db2.gz CQTUTFFPMFPEJY-VVLHAWIVSA-N 2 1 340.512 1.610 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000195141870 442988353 /nfs/dbraw/zinc/98/83/53/442988353.db2.gz DZLHIFISUNCAAS-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000252977987 443048077 /nfs/dbraw/zinc/04/80/77/443048077.db2.gz XJKUATWEEDWRAA-ZACQAIPSSA-N 2 1 340.512 1.203 20 0 EDADMP O=S(=O)(CC[NH+]1CCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000189751927 443003529 /nfs/dbraw/zinc/00/35/29/443003529.db2.gz CTJYGZBEDSHYMW-WBVHZDCISA-N 2 1 341.521 1.361 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1[NH+](C)C ZINC000266205259 443056600 /nfs/dbraw/zinc/05/66/00/443056600.db2.gz PDYDZZFEILUHSG-NXHRZFHOSA-N 2 1 331.460 1.296 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1[NH+](C)C ZINC000266205259 443056603 /nfs/dbraw/zinc/05/66/03/443056603.db2.gz PDYDZZFEILUHSG-NXHRZFHOSA-N 2 1 331.460 1.296 20 0 EDADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268815037 443116502 /nfs/dbraw/zinc/11/65/02/443116502.db2.gz PKBVYXRBCUDGER-DOTOQJQBSA-N 2 1 339.505 1.426 20 0 EDADMP CCS(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268815047 443117003 /nfs/dbraw/zinc/11/70/03/443117003.db2.gz PKBVYXRBCUDGER-WBVHZDCISA-N 2 1 339.505 1.426 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000185047022 443124577 /nfs/dbraw/zinc/12/45/77/443124577.db2.gz QXPIRKWTEXXUDJ-MRXNPFEDSA-N 2 1 327.517 1.044 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)C[N@H+]1Cc1ccccc1 ZINC000237588003 443176142 /nfs/dbraw/zinc/17/61/42/443176142.db2.gz IXLUORWZXPDMJX-NJAFHUGGSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H](CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000185348637 443187674 /nfs/dbraw/zinc/18/76/74/443187674.db2.gz PAQLBDMPJBKUGJ-HNNXBMFYSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000185348637 443187677 /nfs/dbraw/zinc/18/76/77/443187677.db2.gz PAQLBDMPJBKUGJ-HNNXBMFYSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000185348637 443187680 /nfs/dbraw/zinc/18/76/80/443187680.db2.gz PAQLBDMPJBKUGJ-HNNXBMFYSA-N 2 1 339.528 1.184 20 0 EDADMP C[N@@H+](Cc1ccccc1NC(=O)CNC(=O)C[NH3+])C1CCCCC1 ZINC000262429642 443194605 /nfs/dbraw/zinc/19/46/05/443194605.db2.gz SDTAPGDOFREGEU-UHFFFAOYSA-N 2 1 332.448 1.465 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000262598863 443202116 /nfs/dbraw/zinc/20/21/16/443202116.db2.gz MXOCOYSQRVVRIV-VQHPVUNQSA-N 2 1 327.513 1.952 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000262730803 443209442 /nfs/dbraw/zinc/20/94/42/443209442.db2.gz BMQFVKLUUWUSAT-XHSDSOJGSA-N 2 1 327.538 1.956 20 0 EDADMP CCCCNC(=O)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185721527 443245553 /nfs/dbraw/zinc/24/55/53/443245553.db2.gz NDQOIXUZYXNEHG-CABCVRRESA-N 2 1 338.496 1.855 20 0 EDADMP CCCCNC(=O)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721527 443245555 /nfs/dbraw/zinc/24/55/55/443245555.db2.gz NDQOIXUZYXNEHG-CABCVRRESA-N 2 1 338.496 1.855 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COC1CC[NH2+]CC1 ZINC000382730479 319124890 /nfs/dbraw/zinc/12/48/90/319124890.db2.gz APMGBYGOQYJHBU-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H]1C ZINC000245880622 443254611 /nfs/dbraw/zinc/25/46/11/443254611.db2.gz NOLTUNPIBHNUGE-KGLIPLIRSA-N 2 1 340.512 1.392 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)C1 ZINC000413904476 319300464 /nfs/dbraw/zinc/30/04/64/319300464.db2.gz TXSHXYYRTWVXSP-INIZCTEOSA-N 2 1 339.411 1.425 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)C1 ZINC000413904476 319300466 /nfs/dbraw/zinc/30/04/66/319300466.db2.gz TXSHXYYRTWVXSP-INIZCTEOSA-N 2 1 339.411 1.425 20 0 EDADMP CC(C)N1CCC([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000414185716 319318049 /nfs/dbraw/zinc/31/80/49/319318049.db2.gz HBDGARSIXOMWHS-UHFFFAOYSA-N 2 1 338.540 1.245 20 0 EDADMP Cc1cc([C@@H]2C[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CCO2)ccc1F ZINC000414691273 319343171 /nfs/dbraw/zinc/34/31/71/319343171.db2.gz BDXRLSYGPAQYHC-QAPCUYQASA-N 2 1 349.450 1.705 20 0 EDADMP Cc1cc([C@@H]2C[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CCO2)ccc1F ZINC000414691273 319343172 /nfs/dbraw/zinc/34/31/72/319343172.db2.gz BDXRLSYGPAQYHC-QAPCUYQASA-N 2 1 349.450 1.705 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)C1 ZINC000414692706 319343411 /nfs/dbraw/zinc/34/34/11/319343411.db2.gz KWRDEEQFKNCXQR-QFBILLFUSA-N 2 1 345.487 1.556 20 0 EDADMP c1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414776333 319343958 /nfs/dbraw/zinc/34/39/58/319343958.db2.gz HBHKIVWIBUHVKN-CABCVRRESA-N 2 1 336.505 1.801 20 0 EDADMP Cc1cc(NC(=O)NCC(F)(F)C[NH3+])n(C2CC[NH+](C)CC2)n1 ZINC000415249914 319356849 /nfs/dbraw/zinc/35/68/49/319356849.db2.gz KSUQZKPVDUFIDE-UHFFFAOYSA-N 2 1 330.383 1.174 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000415985155 319387604 /nfs/dbraw/zinc/38/76/04/319387604.db2.gz RRIRBBIWCJWFGZ-FUHWJXTLSA-N 2 1 346.475 1.981 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000266844114 443265548 /nfs/dbraw/zinc/26/55/48/443265548.db2.gz PGGXDPVIBNRJSY-UHFFFAOYSA-N 2 1 341.459 1.590 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000185846997 443269094 /nfs/dbraw/zinc/26/90/94/443269094.db2.gz MJLNYEAJCVLTJQ-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278978809 443479840 /nfs/dbraw/zinc/47/98/40/443479840.db2.gz JUCMZQNNJIQGSE-JKSUJKDBSA-N 2 1 339.443 1.491 20 0 EDADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000272794135 443448391 /nfs/dbraw/zinc/44/83/91/443448391.db2.gz CNVDEWAPTXJAAF-ZFWWWQNUSA-N 2 1 325.478 1.859 20 0 EDADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000272794135 443448395 /nfs/dbraw/zinc/44/83/95/443448395.db2.gz CNVDEWAPTXJAAF-ZFWWWQNUSA-N 2 1 325.478 1.859 20 0 EDADMP COCC[N@@H+]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000264992558 443502933 /nfs/dbraw/zinc/50/29/33/443502933.db2.gz KBRNORBEPPXZTP-GOSISDBHSA-N 2 1 333.476 1.340 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000264992558 443502938 /nfs/dbraw/zinc/50/29/38/443502938.db2.gz KBRNORBEPPXZTP-GOSISDBHSA-N 2 1 333.476 1.340 20 0 EDADMP C[C@@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)N1CC[NH+](C)CC1 ZINC000423619371 319794081 /nfs/dbraw/zinc/79/40/81/319794081.db2.gz VGJYKUAKAWOLRZ-KXBFYZLASA-N 2 1 340.471 1.592 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425328935 319831556 /nfs/dbraw/zinc/83/15/56/319831556.db2.gz SSADGJRJSNVEHR-IAGOWNOFSA-N 2 1 348.539 1.477 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000283259783 443579857 /nfs/dbraw/zinc/57/98/57/443579857.db2.gz CDAWZVXXHLKRFN-GOSISDBHSA-N 3 1 343.475 1.822 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2cncn2c1 ZINC000283259783 443579860 /nfs/dbraw/zinc/57/98/60/443579860.db2.gz CDAWZVXXHLKRFN-GOSISDBHSA-N 2 1 343.475 1.822 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2cncn2c1 ZINC000283259783 443579864 /nfs/dbraw/zinc/57/98/64/443579864.db2.gz CDAWZVXXHLKRFN-GOSISDBHSA-N 2 1 343.475 1.822 20 0 EDADMP O=C1[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCN1CC(F)(F)F ZINC000425903841 319875376 /nfs/dbraw/zinc/87/53/76/319875376.db2.gz WWAZVKACWDHZKD-GFCCVEGCSA-N 2 1 346.353 1.394 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000431017462 319936624 /nfs/dbraw/zinc/93/66/24/319936624.db2.gz ATWIRDXVOIOUFD-GOSISDBHSA-N 2 1 349.475 1.701 20 0 EDADMP C[C@@H](CNC(=O)C1(C[NH3+])CCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000431027038 319937665 /nfs/dbraw/zinc/93/76/65/319937665.db2.gz ZIKFCRBJZHPHAQ-KRWDZBQOSA-N 2 1 344.503 1.832 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](Oc3ccccn3)C2)CC1 ZINC000283331034 443603987 /nfs/dbraw/zinc/60/39/87/443603987.db2.gz PMJUECQUIOXZRD-SFHVURJKSA-N 2 1 332.492 1.951 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000279567545 443608311 /nfs/dbraw/zinc/60/83/11/443608311.db2.gz FRDOFYNRBHOUQX-GOSISDBHSA-N 2 1 328.460 1.822 20 0 EDADMP O=C(NCC[NH+]1CC=CCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279567545 443608313 /nfs/dbraw/zinc/60/83/13/443608313.db2.gz FRDOFYNRBHOUQX-GOSISDBHSA-N 2 1 328.460 1.822 20 0 EDADMP O=C(NCC[NH+]1CC=CCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279567545 443608316 /nfs/dbraw/zinc/60/83/16/443608316.db2.gz FRDOFYNRBHOUQX-GOSISDBHSA-N 2 1 328.460 1.822 20 0 EDADMP CC[NH+]1CCN(CCC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000439693465 320048342 /nfs/dbraw/zinc/04/83/42/320048342.db2.gz SPVPPVCECUSILF-GOSISDBHSA-N 2 1 338.540 1.641 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000439693465 320048343 /nfs/dbraw/zinc/04/83/43/320048343.db2.gz SPVPPVCECUSILF-GOSISDBHSA-N 2 1 338.540 1.641 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000439693465 320048344 /nfs/dbraw/zinc/04/83/44/320048344.db2.gz SPVPPVCECUSILF-GOSISDBHSA-N 2 1 338.540 1.641 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444269857 320123676 /nfs/dbraw/zinc/12/36/76/320123676.db2.gz OUEKHBNSKUUSPG-QUCCMNQESA-N 2 1 342.487 1.267 20 0 EDADMP CC(=O)N1CCCN(C[C@H]2CCC[N@H+](Cc3cccn3C)C2)CC1 ZINC000449493816 320192700 /nfs/dbraw/zinc/19/27/00/320192700.db2.gz FNTBZWBSAIVXGY-GOSISDBHSA-N 2 1 332.492 1.791 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000449714833 320201451 /nfs/dbraw/zinc/20/14/51/320201451.db2.gz AESYBEKLECUOPL-ZWKOTPCHSA-N 2 1 330.476 1.048 20 0 EDADMP COCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000450674854 320221697 /nfs/dbraw/zinc/22/16/97/320221697.db2.gz CGCSGDOPMQZSTQ-KSSFIOAISA-N 2 1 333.432 1.855 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000457142689 320320640 /nfs/dbraw/zinc/32/06/40/320320640.db2.gz ZICTYKKCBIWABY-MJGOQNOKSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000457142689 320320641 /nfs/dbraw/zinc/32/06/41/320320641.db2.gz ZICTYKKCBIWABY-MJGOQNOKSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000457142689 320320642 /nfs/dbraw/zinc/32/06/42/320320642.db2.gz ZICTYKKCBIWABY-MJGOQNOKSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000457142689 320320643 /nfs/dbraw/zinc/32/06/43/320320643.db2.gz ZICTYKKCBIWABY-MJGOQNOKSA-N 2 1 345.487 1.424 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000457595998 320330078 /nfs/dbraw/zinc/33/00/78/320330078.db2.gz KDLFNJMBMDGGNG-IRXDYDNUSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000457595998 320330079 /nfs/dbraw/zinc/33/00/79/320330079.db2.gz KDLFNJMBMDGGNG-IRXDYDNUSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+]1CCCC[C@H]1C ZINC000457725714 320333673 /nfs/dbraw/zinc/33/36/73/320333673.db2.gz ZJIAOAVRGCARGS-ZACQAIPSSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@@H+]1CCCC[C@H]1C ZINC000457725714 320333674 /nfs/dbraw/zinc/33/36/74/320333674.db2.gz ZJIAOAVRGCARGS-ZACQAIPSSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@H+]1CCCC[C@H]1C ZINC000457725714 320333675 /nfs/dbraw/zinc/33/36/75/320333675.db2.gz ZJIAOAVRGCARGS-ZACQAIPSSA-N 2 1 340.512 1.395 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000489397553 320359781 /nfs/dbraw/zinc/35/97/81/320359781.db2.gz NBSHAVOMEYXDCX-GVDBMIGSSA-N 2 1 340.512 1.326 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000489397553 320359782 /nfs/dbraw/zinc/35/97/82/320359782.db2.gz NBSHAVOMEYXDCX-GVDBMIGSSA-N 2 1 340.512 1.326 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000489397553 320359783 /nfs/dbraw/zinc/35/97/83/320359783.db2.gz NBSHAVOMEYXDCX-GVDBMIGSSA-N 2 1 340.512 1.326 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1C(N)=O ZINC000286319118 443690276 /nfs/dbraw/zinc/69/02/76/443690276.db2.gz VSOLDSFWVLXHRD-KBAYOESNSA-N 2 1 331.460 1.331 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000276287562 443682056 /nfs/dbraw/zinc/68/20/56/443682056.db2.gz PVRGHSMEJHLXAN-CQSZACIVSA-N 2 1 335.448 1.787 20 0 EDADMP Cc1nn2c(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)c(C)nc2s1 ZINC000530249760 320618080 /nfs/dbraw/zinc/61/80/80/320618080.db2.gz YUBCFSXLXFWLSR-HNNXBMFYSA-N 2 1 349.504 1.998 20 0 EDADMP CCc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc(=O)[nH]1 ZINC000537590090 320736401 /nfs/dbraw/zinc/73/64/01/320736401.db2.gz CWJZXIBQTJCTMV-UHFFFAOYSA-N 2 1 341.415 1.749 20 0 EDADMP O=C(C[N@@H+]1CCC[C@@H](O)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000293116506 443929379 /nfs/dbraw/zinc/92/93/79/443929379.db2.gz LZWVADCMNOTIQD-LJQANCHMSA-N 2 1 345.487 1.745 20 0 EDADMP COc1cccc(OC)c1CNCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000285376247 443960388 /nfs/dbraw/zinc/96/03/88/443960388.db2.gz GJKOZNLCPFKEJG-MRXNPFEDSA-N 2 1 349.475 1.736 20 0 EDADMP COc1cccc(OC)c1C[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000285376247 443960391 /nfs/dbraw/zinc/96/03/91/443960391.db2.gz GJKOZNLCPFKEJG-MRXNPFEDSA-N 2 1 349.475 1.736 20 0 EDADMP COc1cccc(COC[C@@H](O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277305734 443959040 /nfs/dbraw/zinc/95/90/40/443959040.db2.gz ULALJJSNMFPNQV-MSOLQXFVSA-N 2 1 336.476 1.989 20 0 EDADMP c1ncn(CC[N@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)n1 ZINC000289032552 444038133 /nfs/dbraw/zinc/03/81/33/444038133.db2.gz BBFOIVTXCRGCCS-HNNXBMFYSA-N 2 1 328.420 1.427 20 0 EDADMP CN(CCCN1CC[NH+](C)CC1)Cc1nccn1-c1ccccc1 ZINC000277828151 444046749 /nfs/dbraw/zinc/04/67/49/444046749.db2.gz WAKAUMFXJJQDJM-UHFFFAOYSA-N 2 1 327.476 1.942 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000561195461 321036164 /nfs/dbraw/zinc/03/61/64/321036164.db2.gz VGMRDHCGHRDSQQ-WJNMYVKJSA-N 2 1 328.460 1.557 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CC[NH+](CCOC(C)C)CC1)CC2 ZINC000561268861 321038167 /nfs/dbraw/zinc/03/81/67/321038167.db2.gz AIVFZNOKJZMTBO-INIZCTEOSA-N 2 1 348.491 1.760 20 0 EDADMP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000561280047 321038811 /nfs/dbraw/zinc/03/88/11/321038811.db2.gz APZNOIIDLQZBKP-PBHICJAKSA-N 2 1 342.447 1.425 20 0 EDADMP C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000561280047 321038812 /nfs/dbraw/zinc/03/88/12/321038812.db2.gz APZNOIIDLQZBKP-PBHICJAKSA-N 2 1 342.447 1.425 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000565046749 321166766 /nfs/dbraw/zinc/16/67/66/321166766.db2.gz SFIMFNUIOLIFPP-HOTGVXAUSA-N 3 1 334.508 1.051 20 0 EDADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000565660236 321196041 /nfs/dbraw/zinc/19/60/41/321196041.db2.gz XYBFJKHEAAAZFV-ROUUACIJSA-N 2 1 336.476 1.480 20 0 EDADMP CCOC[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000566105543 321215313 /nfs/dbraw/zinc/21/53/13/321215313.db2.gz MKQVDNOXSSJDCR-IBGZPJMESA-N 2 1 335.492 1.311 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000568770194 321305839 /nfs/dbraw/zinc/30/58/39/321305839.db2.gz VNSCHZYXGMTFOE-ROUUACIJSA-N 2 1 330.476 1.682 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000569083121 321317432 /nfs/dbraw/zinc/31/74/32/321317432.db2.gz KMBRKRCCJONWCN-CQSZACIVSA-N 2 1 344.459 1.119 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000569255767 321323167 /nfs/dbraw/zinc/32/31/67/321323167.db2.gz FZYDUXHNWJNMSM-BBWFWOEESA-N 2 1 326.481 1.207 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000569255767 321323168 /nfs/dbraw/zinc/32/31/68/321323168.db2.gz FZYDUXHNWJNMSM-BBWFWOEESA-N 2 1 326.481 1.207 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000569255767 321323169 /nfs/dbraw/zinc/32/31/69/321323169.db2.gz FZYDUXHNWJNMSM-BBWFWOEESA-N 2 1 326.481 1.207 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000569255767 321323170 /nfs/dbraw/zinc/32/31/70/321323170.db2.gz FZYDUXHNWJNMSM-BBWFWOEESA-N 2 1 326.481 1.207 20 0 EDADMP CC(C)[C@@H]1C[C@H](C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000569434515 321325448 /nfs/dbraw/zinc/32/54/48/321325448.db2.gz KPFNUDALUDECED-AEFFLSMTSA-N 2 1 347.507 1.769 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C(=O)OC)[nH]1 ZINC000289460452 444149732 /nfs/dbraw/zinc/14/97/32/444149732.db2.gz OJJFLSAUTRXAAB-INIZCTEOSA-N 2 1 336.480 1.649 20 0 EDADMP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])c(C)s1 ZINC000576027165 321540525 /nfs/dbraw/zinc/54/05/25/321540525.db2.gz OGOAKMXOTJRNBG-KGLIPLIRSA-N 2 1 345.534 1.893 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289651202 444186242 /nfs/dbraw/zinc/18/62/42/444186242.db2.gz IFEDQUQTWTVFBT-MRXNPFEDSA-N 2 1 334.445 1.506 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000289738525 444197111 /nfs/dbraw/zinc/19/71/11/444197111.db2.gz GZAVFCLIULMSHU-GOEBONIOSA-N 2 1 335.448 1.294 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290311904 444266189 /nfs/dbraw/zinc/26/61/89/444266189.db2.gz FZILAYLXUGWSCA-CEXWTWQISA-N 2 1 343.471 1.345 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290311904 444266191 /nfs/dbraw/zinc/26/61/91/444266191.db2.gz FZILAYLXUGWSCA-CEXWTWQISA-N 2 1 343.471 1.345 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000297658901 444314851 /nfs/dbraw/zinc/31/48/51/444314851.db2.gz UXLWFWHJEWRDAD-MSOLQXFVSA-N 2 1 342.443 1.191 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000297658901 444314852 /nfs/dbraw/zinc/31/48/52/444314852.db2.gz UXLWFWHJEWRDAD-MSOLQXFVSA-N 2 1 342.443 1.191 20 0 EDADMP COCC[NH2+]C1CC[NH+](CCC(=O)Nc2ccc(OC)cc2)CC1 ZINC000577759617 321680985 /nfs/dbraw/zinc/68/09/85/321680985.db2.gz PHZCLVBZVSWERX-UHFFFAOYSA-N 2 1 335.448 1.724 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)Cn1cccn1 ZINC000310816969 444293155 /nfs/dbraw/zinc/29/31/55/444293155.db2.gz JEQNRQAXAJGVHC-UAFMIMERSA-N 2 1 340.471 1.744 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000324446793 444355607 /nfs/dbraw/zinc/35/56/07/444355607.db2.gz CTGUNLFVYIZJJZ-YOEHRIQHSA-N 2 1 328.460 1.884 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000337692481 444356185 /nfs/dbraw/zinc/35/61/85/444356185.db2.gz VSKYLTGQIAPNAZ-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000337692481 444356189 /nfs/dbraw/zinc/35/61/89/444356189.db2.gz VSKYLTGQIAPNAZ-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000337692481 444356193 /nfs/dbraw/zinc/35/61/93/444356193.db2.gz VSKYLTGQIAPNAZ-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@]1(CN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CC[NH2+]C1 ZINC000340701144 444483079 /nfs/dbraw/zinc/48/30/79/444483079.db2.gz JYCYNKMVYRMULJ-PKOBYXMFSA-N 2 1 333.476 1.044 20 0 EDADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000340726550 444490452 /nfs/dbraw/zinc/49/04/52/444490452.db2.gz LSXYMKRXYTXTQZ-IRXDYDNUSA-N 2 1 333.501 1.814 20 0 EDADMP C[NH+](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000340726550 444490454 /nfs/dbraw/zinc/49/04/54/444490454.db2.gz LSXYMKRXYTXTQZ-IRXDYDNUSA-N 2 1 333.501 1.814 20 0 EDADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000340726550 444490456 /nfs/dbraw/zinc/49/04/56/444490456.db2.gz LSXYMKRXYTXTQZ-IRXDYDNUSA-N 2 1 333.501 1.814 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000338044542 444497947 /nfs/dbraw/zinc/49/79/47/444497947.db2.gz BSDUEGFFXQLXQX-FGTMMUONSA-N 2 1 338.540 1.497 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000338044542 444497950 /nfs/dbraw/zinc/49/79/50/444497950.db2.gz BSDUEGFFXQLXQX-FGTMMUONSA-N 2 1 338.540 1.497 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000338044542 444497953 /nfs/dbraw/zinc/49/79/53/444497953.db2.gz BSDUEGFFXQLXQX-FGTMMUONSA-N 2 1 338.540 1.497 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580881914 322107038 /nfs/dbraw/zinc/10/70/38/322107038.db2.gz GBYNYQLPNRVSTG-NXHRZFHOSA-N 2 1 330.476 1.806 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000581001232 322122465 /nfs/dbraw/zinc/12/24/65/322122465.db2.gz HNPUOOKLQPDZEV-BPQIPLTHSA-N 2 1 345.491 1.106 20 0 EDADMP COc1cccc2c(N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cc(C)[nH+]c12 ZINC000581381245 322171644 /nfs/dbraw/zinc/17/16/44/322171644.db2.gz VGMPNCDWZGUCPQ-OCCSQVGLSA-N 2 1 326.400 1.300 20 0 EDADMP C[NH+](C)C[C@H](O)CNC[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000581488915 322183599 /nfs/dbraw/zinc/18/35/99/322183599.db2.gz DQXWSZMMVGMJIP-MOPGFXCFSA-N 2 1 344.455 1.605 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@]34C[C@H]3CC[NH2+]4)CC[N@@H+]2C2CC2)c1 ZINC000581997295 322242292 /nfs/dbraw/zinc/24/22/92/322242292.db2.gz UXGXQXJOJQKMRZ-ZESCBINXSA-N 2 1 341.455 1.841 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@]34C[C@H]3CC[NH2+]4)CC[N@H+]2C2CC2)c1 ZINC000581997295 322242293 /nfs/dbraw/zinc/24/22/93/322242293.db2.gz UXGXQXJOJQKMRZ-ZESCBINXSA-N 2 1 341.455 1.841 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N3CCCC[C@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000332555224 444518883 /nfs/dbraw/zinc/51/88/83/444518883.db2.gz RQEQSSLUALTXBB-INIZCTEOSA-N 2 1 346.479 1.585 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](C[C@@](C)(O)C(=O)OC)CC1)CC1CC1 ZINC000343706308 444532635 /nfs/dbraw/zinc/53/26/35/444532635.db2.gz GLKOFOHMOHFZPU-GOSISDBHSA-N 2 1 326.481 1.744 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000340863924 444550036 /nfs/dbraw/zinc/55/00/36/444550036.db2.gz WICPUYUSFZRHAN-BPQIPLTHSA-N 2 1 332.492 1.941 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC[N@H+]1C ZINC000341009040 444628203 /nfs/dbraw/zinc/62/82/03/444628203.db2.gz DTHOQFWYUAETAG-KBAYOESNSA-N 2 1 332.492 1.941 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341012107 444631001 /nfs/dbraw/zinc/63/10/01/444631001.db2.gz HPUSPGYWPZTRAG-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000340966506 444604449 /nfs/dbraw/zinc/60/44/49/444604449.db2.gz NLWWCOLHVRFPBG-IRXDYDNUSA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000340966506 444604456 /nfs/dbraw/zinc/60/44/56/444604456.db2.gz NLWWCOLHVRFPBG-IRXDYDNUSA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000340966506 444604461 /nfs/dbraw/zinc/60/44/61/444604461.db2.gz NLWWCOLHVRFPBG-IRXDYDNUSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)C1 ZINC000332997144 444625317 /nfs/dbraw/zinc/62/53/17/444625317.db2.gz OXMNIDCLKBOIEB-VYDXJSESSA-N 2 1 349.479 1.671 20 0 EDADMP COC(=O)[C@@](C)(O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000343940032 444683239 /nfs/dbraw/zinc/68/32/39/444683239.db2.gz NBUAGAAKIDRAGW-OALUTQOASA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@@](C)(O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000343940032 444683240 /nfs/dbraw/zinc/68/32/40/444683240.db2.gz NBUAGAAKIDRAGW-OALUTQOASA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@@](C)(O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000343940032 444683244 /nfs/dbraw/zinc/68/32/44/444683244.db2.gz NBUAGAAKIDRAGW-OALUTQOASA-N 2 1 332.444 1.508 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1CC(C)(C)O ZINC000333282135 444653672 /nfs/dbraw/zinc/65/36/72/444653672.db2.gz HSEJMYSRDFXCCM-CYBMUJFWSA-N 2 1 332.448 1.599 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cnn2ccccc12 ZINC000342377846 444664814 /nfs/dbraw/zinc/66/48/14/444664814.db2.gz KULCTKDMQBDSOR-UHFFFAOYSA-N 2 1 329.448 1.432 20 0 EDADMP CC[NH+](CC)CCC[N@H+](C)C[C@H]1C[C@H](F)CN1c1nnc(C)o1 ZINC000338347381 444647456 /nfs/dbraw/zinc/64/74/56/444647456.db2.gz ABIAPGMVUGBRLL-LSDHHAIUSA-N 2 1 327.448 1.959 20 0 EDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1C[C@H](F)CN1c1nnc(C)o1 ZINC000338347381 444647462 /nfs/dbraw/zinc/64/74/62/444647462.db2.gz ABIAPGMVUGBRLL-LSDHHAIUSA-N 2 1 327.448 1.959 20 0 EDADMP COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000343940032 444683235 /nfs/dbraw/zinc/68/32/35/444683235.db2.gz NBUAGAAKIDRAGW-OALUTQOASA-N 2 1 332.444 1.508 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000341154192 444700317 /nfs/dbraw/zinc/70/03/17/444700317.db2.gz DWZVCOCITVSDRH-IRXDYDNUSA-N 2 1 338.496 1.271 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000341154192 444700322 /nfs/dbraw/zinc/70/03/22/444700322.db2.gz DWZVCOCITVSDRH-IRXDYDNUSA-N 2 1 338.496 1.271 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000341154192 444700325 /nfs/dbraw/zinc/70/03/25/444700325.db2.gz DWZVCOCITVSDRH-IRXDYDNUSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)CC[N@H+]1C ZINC000341188387 444718142 /nfs/dbraw/zinc/71/81/42/444718142.db2.gz DAIFKKQJGQBQHA-CVEARBPZSA-N 2 1 333.480 1.638 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC[N@H+]1CCOC ZINC000344005328 444722643 /nfs/dbraw/zinc/72/26/43/444722643.db2.gz FDJCZSXXBPMWGB-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC[NH+]1CCOC ZINC000344005328 444722649 /nfs/dbraw/zinc/72/26/49/444722649.db2.gz FDJCZSXXBPMWGB-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH+]1CCOC ZINC000344005328 444722651 /nfs/dbraw/zinc/72/26/51/444722651.db2.gz FDJCZSXXBPMWGB-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@H]12 ZINC000333941884 444724113 /nfs/dbraw/zinc/72/41/13/444724113.db2.gz PMBSPGZPKHGFCD-OKZBNKHCSA-N 2 1 328.460 1.423 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000344013418 444728052 /nfs/dbraw/zinc/72/80/52/444728052.db2.gz OYGARJFHVOFNPP-HZPDHXFCSA-N 2 1 343.537 1.383 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000343942752 444684882 /nfs/dbraw/zinc/68/48/82/444684882.db2.gz UMOOLQCTDWCORS-QZTJIDSGSA-N 2 1 327.432 1.481 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000333794433 444697895 /nfs/dbraw/zinc/69/78/95/444697895.db2.gz GTBWWGNUYGJNHX-OAHLLOKOSA-N 2 1 338.496 1.543 20 0 EDADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)N1CCCC[C@@H]1C ZINC000344147688 444807353 /nfs/dbraw/zinc/80/73/53/444807353.db2.gz QGLUBAHZHPLIOQ-SFHVURJKSA-N 2 1 338.540 1.737 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)N1CCCC[C@@H]1C ZINC000344147688 444807357 /nfs/dbraw/zinc/80/73/57/444807357.db2.gz QGLUBAHZHPLIOQ-SFHVURJKSA-N 2 1 338.540 1.737 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000342685023 444812972 /nfs/dbraw/zinc/81/29/72/444812972.db2.gz BBEFIXHNEUVUJT-ZHALLVOQSA-N 2 1 344.503 1.511 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000342685023 444812974 /nfs/dbraw/zinc/81/29/74/444812974.db2.gz BBEFIXHNEUVUJT-ZHALLVOQSA-N 2 1 344.503 1.511 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000342715687 444830732 /nfs/dbraw/zinc/83/07/32/444830732.db2.gz XAOUEECLJTWVQG-QZTJIDSGSA-N 2 1 345.487 1.986 20 0 EDADMP C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000330421095 444975044 /nfs/dbraw/zinc/97/50/44/444975044.db2.gz FXIFJBQVAUXFIJ-MAUKXSAKSA-N 2 1 325.497 1.317 20 0 EDADMP c1nn(-c2cc[nH+]cc2)c2ncnc(NCCNc3cc[nH+]cc3)c12 ZINC000337382678 445057074 /nfs/dbraw/zinc/05/70/74/445057074.db2.gz FHNMOZLIHUXQOQ-UHFFFAOYSA-N 2 1 332.371 1.551 20 0 EDADMP CC[C@@H](CNC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000337337969 445038480 /nfs/dbraw/zinc/03/84/80/445038480.db2.gz FHKPVCXBNJTVNM-SFHVURJKSA-N 2 1 330.476 1.780 20 0 EDADMP CC[C@@H](CNC(=O)N1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000337337969 445038483 /nfs/dbraw/zinc/03/84/83/445038483.db2.gz FHKPVCXBNJTVNM-SFHVURJKSA-N 2 1 330.476 1.780 20 0 EDADMP C[C@@H](c1ccc(NC(=O)N2CCN(C)CC2)cc1)[NH+]1CCOCC1 ZINC000344743618 445139067 /nfs/dbraw/zinc/13/90/67/445139067.db2.gz FUDBYKXXODIYFU-HNNXBMFYSA-N 2 1 332.448 1.859 20 0 EDADMP CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000339436073 445140699 /nfs/dbraw/zinc/14/06/99/445140699.db2.gz CJKXWVREFFBPIB-CUYAVPTFSA-N 2 1 338.492 1.889 20 0 EDADMP CCOC(=O)C1CCC(O)(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000339436073 445140701 /nfs/dbraw/zinc/14/07/01/445140701.db2.gz CJKXWVREFFBPIB-CUYAVPTFSA-N 2 1 338.492 1.889 20 0 EDADMP CCOC(=O)C1CCC(O)(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000339436073 445140705 /nfs/dbraw/zinc/14/07/05/445140705.db2.gz CJKXWVREFFBPIB-CUYAVPTFSA-N 2 1 338.492 1.889 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(C[NH+](C)C)nc2)C[C@H](C)O1 ZINC000339249549 445114850 /nfs/dbraw/zinc/11/48/50/445114850.db2.gz OQQVXJDPWPOZFV-GASCZTMLSA-N 2 1 334.464 1.372 20 0 EDADMP CC[NH+]1CCN(c2cncc(N3CC[N@H+](CC)C[C@H]3C)n2)[C@H](C)C1 ZINC000343260218 445165399 /nfs/dbraw/zinc/16/53/99/445165399.db2.gz BFZQRNVYGVVZHC-HZPDHXFCSA-N 2 1 332.496 1.537 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000330858037 445168859 /nfs/dbraw/zinc/16/88/59/445168859.db2.gz ZXVKTVHUECNGRC-LSDHHAIUSA-N 2 1 329.448 1.463 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)COc1ccc(F)cc1 ZINC000343272796 445172333 /nfs/dbraw/zinc/17/23/33/445172333.db2.gz VCSDKYQPOOMQTO-BZZMCLGOSA-N 2 1 338.423 1.312 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342109263 445176481 /nfs/dbraw/zinc/17/64/81/445176481.db2.gz RCBCPALQSITLJR-XJNFMUPTSA-N 2 1 331.460 1.932 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342109263 445176484 /nfs/dbraw/zinc/17/64/84/445176484.db2.gz RCBCPALQSITLJR-XJNFMUPTSA-N 2 1 331.460 1.932 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)Cc1ccccc1 ZINC000343375818 445212476 /nfs/dbraw/zinc/21/24/76/445212476.db2.gz QHZGPNMZECSTFF-SFHVURJKSA-N 2 1 330.476 1.720 20 0 EDADMP C[C@@H]([NH2+]CCNc1cnccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348099169 445267613 /nfs/dbraw/zinc/26/76/13/445267613.db2.gz WFOPQRAZIZQBPG-AEFFLSMTSA-N 2 1 325.460 2.389 20 0 EDADMP Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348102381 445269192 /nfs/dbraw/zinc/26/91/92/445269192.db2.gz NKJPXYNRTUGVCS-ULQDDVLXSA-N 2 1 337.487 1.749 20 0 EDADMP Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348102381 445269195 /nfs/dbraw/zinc/26/91/95/445269195.db2.gz NKJPXYNRTUGVCS-ULQDDVLXSA-N 2 1 337.487 1.749 20 0 EDADMP Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348102381 445269198 /nfs/dbraw/zinc/26/91/98/445269198.db2.gz NKJPXYNRTUGVCS-ULQDDVLXSA-N 2 1 337.487 1.749 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CCC[N@H+]1C ZINC000343619076 445265649 /nfs/dbraw/zinc/26/56/49/445265649.db2.gz JQPKDBOCBXIIEF-CRAIPNDOSA-N 2 1 348.491 1.909 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCC[N@H+]1C ZINC000343655302 445285756 /nfs/dbraw/zinc/28/57/56/445285756.db2.gz OXNJLXVLGJKKEQ-CRAIPNDOSA-N 2 1 348.491 1.909 20 0 EDADMP C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000348641448 445343392 /nfs/dbraw/zinc/34/33/92/445343392.db2.gz JIDZPTVTHNMKIX-SJLPKXTDSA-N 2 1 347.507 1.744 20 0 EDADMP C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000348641448 445343393 /nfs/dbraw/zinc/34/33/93/445343393.db2.gz JIDZPTVTHNMKIX-SJLPKXTDSA-N 2 1 347.507 1.744 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000351866198 445348178 /nfs/dbraw/zinc/34/81/78/445348178.db2.gz RAWNWUFMMFTJOE-NVXWUHKLSA-N 2 1 341.459 1.217 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000351866198 445348180 /nfs/dbraw/zinc/34/81/80/445348180.db2.gz RAWNWUFMMFTJOE-NVXWUHKLSA-N 2 1 341.459 1.217 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@]2([NH+](C)C)CCCSC2)C1 ZINC000362395680 445358468 /nfs/dbraw/zinc/35/84/68/445358468.db2.gz KFSQBKQJFQMNGQ-DOTOQJQBSA-N 2 1 343.537 1.287 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000351808794 445328286 /nfs/dbraw/zinc/32/82/86/445328286.db2.gz LPSBFJLNQRSTCO-NVXWUHKLSA-N 2 1 340.512 1.611 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357078799 445412336 /nfs/dbraw/zinc/41/23/36/445412336.db2.gz LZXHJEIMKDDPLC-GJZGRUSLSA-N 2 1 327.428 1.604 20 0 EDADMP C[NH+](C)CCOc1cnccc1CNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000359714775 445388781 /nfs/dbraw/zinc/38/87/81/445388781.db2.gz BORYKJPJGWYYTR-UHFFFAOYSA-N 2 1 347.463 1.083 20 0 EDADMP CC(C)[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000357207135 445481382 /nfs/dbraw/zinc/48/13/82/445481382.db2.gz YCHHNPSDUZBNLB-RTBURBONSA-N 2 1 345.487 1.564 20 0 EDADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354920716 445434136 /nfs/dbraw/zinc/43/41/36/445434136.db2.gz KOYQYUYLHFGRDG-KBPBESRZSA-N 2 1 333.415 1.281 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H](C)[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000352016255 445440292 /nfs/dbraw/zinc/44/02/92/445440292.db2.gz WBEJFTAECZAEJX-IRXDYDNUSA-N 2 1 344.503 1.993 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000352016253 445440317 /nfs/dbraw/zinc/44/03/17/445440317.db2.gz WBEJFTAECZAEJX-DLBZAZTESA-N 2 1 344.503 1.993 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)CCOC2C[NH2+]C2)[C@H]1c1cccs1 ZINC000348990748 445467416 /nfs/dbraw/zinc/46/74/16/445467416.db2.gz FUDKXGOKSAXPGI-DYVFJYSZSA-N 2 1 337.489 1.626 20 0 EDADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000357304346 445536843 /nfs/dbraw/zinc/53/68/43/445536843.db2.gz HYEYLZXOAILZSD-ZWKOTPCHSA-N 2 1 349.475 1.523 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@]3(C)CCCO)cn2)CC1 ZINC000349148214 445522456 /nfs/dbraw/zinc/52/24/56/445522456.db2.gz JOKFVANNCFSJBV-SFHVURJKSA-N 2 1 333.480 1.355 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@]3(C)CCCO)cn2)CC1 ZINC000349148214 445522461 /nfs/dbraw/zinc/52/24/61/445522461.db2.gz JOKFVANNCFSJBV-SFHVURJKSA-N 2 1 333.480 1.355 20 0 EDADMP C[N@H+](CCCNc1cc[nH+]c(N2CCOCC2)n1)C1CCCCC1 ZINC000352405863 445526593 /nfs/dbraw/zinc/52/65/93/445526593.db2.gz CIRSNULTNARXHE-UHFFFAOYSA-N 2 1 333.480 2.380 20 0 EDADMP C[N@@H+](CCCNc1cc[nH+]c(N2CCOCC2)n1)C1CCCCC1 ZINC000352405863 445526596 /nfs/dbraw/zinc/52/65/96/445526596.db2.gz CIRSNULTNARXHE-UHFFFAOYSA-N 2 1 333.480 2.380 20 0 EDADMP CS[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000352473513 445532031 /nfs/dbraw/zinc/53/20/31/445532031.db2.gz WBYWZGTWHNIZBE-HOTGVXAUSA-N 2 1 325.522 1.757 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000359922380 445489935 /nfs/dbraw/zinc/48/99/35/445489935.db2.gz GVWRSZYBTHHERB-QGZVFWFLSA-N 2 1 341.544 1.386 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000359922380 445489939 /nfs/dbraw/zinc/48/99/39/445489939.db2.gz GVWRSZYBTHHERB-QGZVFWFLSA-N 2 1 341.544 1.386 20 0 EDADMP COCC[NH+]1CCC([NH2+]CC2(N3CCOCC3)CCCCC2)CC1 ZINC000359924856 445491131 /nfs/dbraw/zinc/49/11/31/445491131.db2.gz PHXYWUWEUNYTKS-UHFFFAOYSA-N 2 1 339.524 1.722 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000355958642 445545251 /nfs/dbraw/zinc/54/52/51/445545251.db2.gz QEIPKWMLJYFUMD-UHFFFAOYSA-N 2 1 337.468 1.380 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000358116077 445604942 /nfs/dbraw/zinc/60/49/42/445604942.db2.gz GRUNOJNYVXOUQA-HNNXBMFYSA-N 2 1 327.517 1.040 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000358116077 445604948 /nfs/dbraw/zinc/60/49/48/445604948.db2.gz GRUNOJNYVXOUQA-HNNXBMFYSA-N 2 1 327.517 1.040 20 0 EDADMP CO[C@H](C[NH3+])C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000353454653 445608895 /nfs/dbraw/zinc/60/88/95/445608895.db2.gz VFBYWZMIHJNDOT-MRXNPFEDSA-N 2 1 348.447 1.332 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353459639 445611734 /nfs/dbraw/zinc/61/17/34/445611734.db2.gz MCKDLDAILQUXMW-JKSUJKDBSA-N 2 1 333.501 1.858 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353459639 445611737 /nfs/dbraw/zinc/61/17/37/445611737.db2.gz MCKDLDAILQUXMW-JKSUJKDBSA-N 2 1 333.501 1.858 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C2 ZINC000356168678 445658951 /nfs/dbraw/zinc/65/89/51/445658951.db2.gz KGFOCRSXQNRDIF-GDBMZVCRSA-N 2 1 334.464 1.371 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C2 ZINC000356168678 445658954 /nfs/dbraw/zinc/65/89/54/445658954.db2.gz KGFOCRSXQNRDIF-GDBMZVCRSA-N 2 1 334.464 1.371 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000353576326 445663194 /nfs/dbraw/zinc/66/31/94/445663194.db2.gz FPBAIGUQXOEAIA-NVXWUHKLSA-N 2 1 346.475 1.840 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000356235217 445691548 /nfs/dbraw/zinc/69/15/48/445691548.db2.gz LGNHPQPMFKJRSK-INIZCTEOSA-N 2 1 333.480 1.869 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000360325874 445695026 /nfs/dbraw/zinc/69/50/26/445695026.db2.gz DFKLDRTZXPVKSH-UHFFFAOYSA-N 2 1 349.479 1.026 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)[nH+]c1 ZINC000363152325 445698578 /nfs/dbraw/zinc/69/85/78/445698578.db2.gz UOTTXIWHZUEOBY-KRWDZBQOSA-N 2 1 345.491 2.462 20 0 EDADMP O=C(NCc1ccnc(-n2ccnc2)c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000363208371 445720979 /nfs/dbraw/zinc/72/09/79/445720979.db2.gz SNGSPUYGIYRNBH-HNNXBMFYSA-N 2 1 340.431 1.551 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000349756985 445668232 /nfs/dbraw/zinc/66/82/32/445668232.db2.gz JMCBTPUVMQRTTQ-HNNXBMFYSA-N 2 1 340.512 1.023 20 0 EDADMP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000358695647 445722744 /nfs/dbraw/zinc/72/27/44/445722744.db2.gz RCDGKHBFTSYIEZ-IJEWVQPXSA-N 2 1 349.479 1.034 20 0 EDADMP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358695647 445722747 /nfs/dbraw/zinc/72/27/47/445722747.db2.gz RCDGKHBFTSYIEZ-IJEWVQPXSA-N 2 1 349.479 1.034 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000349929653 445723213 /nfs/dbraw/zinc/72/32/13/445723213.db2.gz CHTOEBFRIMSTEI-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000349929653 445723219 /nfs/dbraw/zinc/72/32/19/445723219.db2.gz CHTOEBFRIMSTEI-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC000358721518 445742074 /nfs/dbraw/zinc/74/20/74/445742074.db2.gz NIDCXJCGWASPEC-SZVBFZGTSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000358721518 445742078 /nfs/dbraw/zinc/74/20/78/445742078.db2.gz NIDCXJCGWASPEC-SZVBFZGTSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000358721518 445742082 /nfs/dbraw/zinc/74/20/82/445742082.db2.gz NIDCXJCGWASPEC-SZVBFZGTSA-N 2 1 346.475 1.015 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](COc3ccccc3)C2)CC1 ZINC000356352562 445748881 /nfs/dbraw/zinc/74/88/81/445748881.db2.gz ULDXOBFQKBAPSF-KRWDZBQOSA-N 2 1 345.487 1.988 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000353774324 445748968 /nfs/dbraw/zinc/74/89/68/445748968.db2.gz BPHFQORGCKVRID-QGZVFWFLSA-N 2 1 346.475 1.721 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000361125856 445750027 /nfs/dbraw/zinc/75/00/27/445750027.db2.gz TZXSJDGDBUKWPQ-GOSISDBHSA-N 2 1 334.435 1.972 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](C2CCOCC2)CC1 ZINC000361479815 445780461 /nfs/dbraw/zinc/78/04/61/445780461.db2.gz XNYOUISWNZGLSH-GOSISDBHSA-N 2 1 337.508 1.963 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000361479815 445780464 /nfs/dbraw/zinc/78/04/64/445780464.db2.gz XNYOUISWNZGLSH-GOSISDBHSA-N 2 1 337.508 1.963 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000361479815 445780468 /nfs/dbraw/zinc/78/04/68/445780468.db2.gz XNYOUISWNZGLSH-GOSISDBHSA-N 2 1 337.508 1.963 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C)C1 ZINC000350218128 445795172 /nfs/dbraw/zinc/79/51/72/445795172.db2.gz PQGOLRVXXHUFHR-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363417550 445795407 /nfs/dbraw/zinc/79/54/07/445795407.db2.gz JVKDZHLIWOYZFU-MSOLQXFVSA-N 2 1 336.524 1.489 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000350454219 445832382 /nfs/dbraw/zinc/83/23/82/445832382.db2.gz FDVLSNNWJQANEH-MRXNPFEDSA-N 2 1 340.537 1.695 20 0 EDADMP C[NH+](C)CCOc1cnccc1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000356456281 445799952 /nfs/dbraw/zinc/79/99/52/445799952.db2.gz ISAMUJQBBILECC-UHFFFAOYSA-N 2 1 347.419 1.002 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000350288146 445807968 /nfs/dbraw/zinc/80/79/68/445807968.db2.gz REJJFOBBTOCKNX-KZNAEPCWSA-N 2 1 339.524 1.924 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000353914855 445811132 /nfs/dbraw/zinc/81/11/32/445811132.db2.gz LJMBPHLDXIAQBI-RCCFBDPRSA-N 2 1 339.524 1.972 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000365958981 445928399 /nfs/dbraw/zinc/92/83/99/445928399.db2.gz FBLXPDDAPLCFAB-IAGOWNOFSA-N 2 1 331.460 1.731 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000365958981 445928406 /nfs/dbraw/zinc/92/84/06/445928406.db2.gz FBLXPDDAPLCFAB-IAGOWNOFSA-N 2 1 331.460 1.731 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)NC3CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC000369118760 445939529 /nfs/dbraw/zinc/93/95/29/445939529.db2.gz IOXSPERPZPFPIP-MRXNPFEDSA-N 2 1 346.479 1.456 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000364380720 445915547 /nfs/dbraw/zinc/91/55/47/445915547.db2.gz UDJOJVHCFZPMSV-MDMSPXHWSA-N 2 1 334.508 1.841 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000364380720 445915553 /nfs/dbraw/zinc/91/55/53/445915553.db2.gz UDJOJVHCFZPMSV-MDMSPXHWSA-N 2 1 334.508 1.841 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000364380720 445915557 /nfs/dbraw/zinc/91/55/57/445915557.db2.gz UDJOJVHCFZPMSV-MDMSPXHWSA-N 2 1 334.508 1.841 20 0 EDADMP C[N@@H+](CC(=O)Nc1ccccc1C(N)=O)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366009095 445959122 /nfs/dbraw/zinc/95/91/22/445959122.db2.gz QWMCFOXIJWFTCU-CYBMUJFWSA-N 2 1 341.415 1.115 20 0 EDADMP C[N@H+](CC(=O)Nc1ccccc1C(N)=O)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366009095 445959127 /nfs/dbraw/zinc/95/91/27/445959127.db2.gz QWMCFOXIJWFTCU-CYBMUJFWSA-N 2 1 341.415 1.115 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000361886953 446040738 /nfs/dbraw/zinc/04/07/38/446040738.db2.gz BFAAHZUAOCAQAC-JYBIWHBTSA-N 2 1 331.504 1.942 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361886953 446040746 /nfs/dbraw/zinc/04/07/46/446040746.db2.gz BFAAHZUAOCAQAC-JYBIWHBTSA-N 2 1 331.504 1.942 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361886953 446040751 /nfs/dbraw/zinc/04/07/51/446040751.db2.gz BFAAHZUAOCAQAC-JYBIWHBTSA-N 2 1 331.504 1.942 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCC(CC[NH2+]C)CC1)[NH+]1CCOCC1 ZINC000354210047 446004320 /nfs/dbraw/zinc/00/43/20/446004320.db2.gz VNFRRCPKGBQXBU-GOSISDBHSA-N 2 1 339.524 1.972 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000369336900 446082149 /nfs/dbraw/zinc/08/21/49/446082149.db2.gz YWKICWOJIFMAFV-RISCZKNCSA-N 2 1 334.395 1.861 20 0 EDADMP O=C1C[C@H](N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207271 446095954 /nfs/dbraw/zinc/09/59/54/446095954.db2.gz WGIWTAFPPJLQFX-RNJOBUHISA-N 2 1 345.365 1.092 20 0 EDADMP COc1cc(C[C@H](CO)C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc(OC)c1 ZINC000361972959 446118469 /nfs/dbraw/zinc/11/84/69/446118469.db2.gz VDVYLCQDKZAQIX-SIXWZSSISA-N 2 1 336.476 1.785 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNc1cnccn1 ZINC000361983305 446127791 /nfs/dbraw/zinc/12/77/91/446127791.db2.gz UCRFPTWWLAWYNO-SJLPKXTDSA-N 2 1 325.460 2.389 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNc1cnccn1 ZINC000361983305 446127795 /nfs/dbraw/zinc/12/77/95/446127795.db2.gz UCRFPTWWLAWYNO-SJLPKXTDSA-N 2 1 325.460 2.389 20 0 EDADMP Cc1nccc(CN2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2=O)n1 ZINC000369890923 446165154 /nfs/dbraw/zinc/16/51/54/446165154.db2.gz BBVGRRIPNCUXHO-JQHSSLGASA-N 2 1 343.475 1.492 20 0 EDADMP Cc1nccc(CN2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2=O)n1 ZINC000369890923 446165160 /nfs/dbraw/zinc/16/51/60/446165160.db2.gz BBVGRRIPNCUXHO-JQHSSLGASA-N 2 1 343.475 1.492 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2CC)C[C@H]1[NH+]1CCOCC1 ZINC000366384259 446183950 /nfs/dbraw/zinc/18/39/50/446183950.db2.gz JSUMQSVBRVLGNW-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2CC)C[C@H]1[NH+]1CCOCC1 ZINC000366384259 446183954 /nfs/dbraw/zinc/18/39/54/446183954.db2.gz JSUMQSVBRVLGNW-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000351591465 446187905 /nfs/dbraw/zinc/18/79/05/446187905.db2.gz FGGAAVLCXJVWEV-PMACEKPBSA-N 2 1 347.503 1.010 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000351591465 446187907 /nfs/dbraw/zinc/18/79/07/446187907.db2.gz FGGAAVLCXJVWEV-PMACEKPBSA-N 2 1 347.503 1.010 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000351591465 446187910 /nfs/dbraw/zinc/18/79/10/446187910.db2.gz FGGAAVLCXJVWEV-PMACEKPBSA-N 2 1 347.503 1.010 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CCC[NH2+]3)[C@H](C)C2)s1 ZINC000366324774 446150690 /nfs/dbraw/zinc/15/06/90/446150690.db2.gz OLPKCQHRZJSYJR-XPKDYRNWSA-N 2 1 336.505 1.920 20 0 EDADMP Cc1ccc([C@H](O)C[N@@H+]2CCN(C[C@@H]3CN(C)CCO3)C[C@H]2C)cc1 ZINC000369782016 446154137 /nfs/dbraw/zinc/15/41/37/446154137.db2.gz KOWYUKRYFSKRHF-YZGWKJHDSA-N 2 1 347.503 1.365 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000365339729 446156940 /nfs/dbraw/zinc/15/69/40/446156940.db2.gz MPGBRILSDBYBPQ-OIISXLGYSA-N 2 1 338.496 1.269 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCc2ccccc2)C1 ZINC000370258637 446199572 /nfs/dbraw/zinc/19/95/72/446199572.db2.gz DCAXWNWBSIBIJX-MSOLQXFVSA-N 2 1 331.460 1.140 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCc2ccccc2)C1 ZINC000370258637 446199576 /nfs/dbraw/zinc/19/95/76/446199576.db2.gz DCAXWNWBSIBIJX-MSOLQXFVSA-N 2 1 331.460 1.140 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCc2ccccc2)C1 ZINC000370258637 446199582 /nfs/dbraw/zinc/19/95/82/446199582.db2.gz DCAXWNWBSIBIJX-MSOLQXFVSA-N 2 1 331.460 1.140 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCc2ccccc2)C1 ZINC000370258637 446199589 /nfs/dbraw/zinc/19/95/89/446199589.db2.gz DCAXWNWBSIBIJX-MSOLQXFVSA-N 2 1 331.460 1.140 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000370304200 446223197 /nfs/dbraw/zinc/22/31/97/446223197.db2.gz XCAITTACLMNDNA-IAGOWNOFSA-N 2 1 349.479 1.212 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000370304200 446223201 /nfs/dbraw/zinc/22/32/01/446223201.db2.gz XCAITTACLMNDNA-IAGOWNOFSA-N 2 1 349.479 1.212 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366496099 446237924 /nfs/dbraw/zinc/23/79/24/446237924.db2.gz IFYPXQNDFREYII-RVKKMQEKSA-N 2 1 336.480 1.419 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(CC(=O)NCC3(c4ccccc4)CC3)C2)C1 ZINC000366563586 446262930 /nfs/dbraw/zinc/26/29/30/446262930.db2.gz YNSMRHCPQOAVLP-IBGZPJMESA-N 2 1 327.472 1.862 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000366581064 446267245 /nfs/dbraw/zinc/26/72/45/446267245.db2.gz WUQKZHISYAFPIO-HKUYNNGSSA-N 2 1 348.535 1.489 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000366581064 446267248 /nfs/dbraw/zinc/26/72/48/446267248.db2.gz WUQKZHISYAFPIO-HKUYNNGSSA-N 2 1 348.535 1.489 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000366581064 446267252 /nfs/dbraw/zinc/26/72/52/446267252.db2.gz WUQKZHISYAFPIO-HKUYNNGSSA-N 2 1 348.535 1.489 20 0 EDADMP O=C(C[NH2+][C@H](CO)c1cccc(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000359526580 446276725 /nfs/dbraw/zinc/27/67/25/446276725.db2.gz CCTNZCMRWQKVQD-QGZVFWFLSA-N 2 1 335.423 1.192 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@H](O)COC(C)(C)C)C2)CC1 ZINC000362252537 446287701 /nfs/dbraw/zinc/28/77/01/446287701.db2.gz AVUXOQLSJHKQDC-IRXDYDNUSA-N 2 1 327.513 1.122 20 0 EDADMP C[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000417338819 446347321 /nfs/dbraw/zinc/34/73/21/446347321.db2.gz KPRRWROBAUIPCK-HNNXBMFYSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000417503084 446355691 /nfs/dbraw/zinc/35/56/91/446355691.db2.gz LLWXBEZEMLUKCR-LMMKCTJWSA-N 2 1 344.503 1.943 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370609162 446356202 /nfs/dbraw/zinc/35/62/02/446356202.db2.gz VPTYQKNGMFSDLG-IAGOWNOFSA-N 2 1 340.512 1.661 20 0 EDADMP Cc1cc(NC(=O)CC[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)no1 ZINC000374316228 446362977 /nfs/dbraw/zinc/36/29/77/446362977.db2.gz HKFVHOZQKISJGE-HNNXBMFYSA-N 2 1 346.475 2.508 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417547756 446363480 /nfs/dbraw/zinc/36/34/80/446363480.db2.gz UTTHYRVEQKCSQK-INIZCTEOSA-N 2 1 339.528 1.234 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000417896418 446378564 /nfs/dbraw/zinc/37/85/64/446378564.db2.gz VUJBEHOZWKPSMY-FGTMMUONSA-N 2 1 336.524 1.995 20 0 EDADMP CC[C@H](NC(=O)NCCCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417895490 446378700 /nfs/dbraw/zinc/37/87/00/446378700.db2.gz OLMXQJSGXSFFMR-ROUUACIJSA-N 2 1 348.491 1.704 20 0 EDADMP CC[C@H](NC(=O)NCCCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417895490 446378704 /nfs/dbraw/zinc/37/87/04/446378704.db2.gz OLMXQJSGXSFFMR-ROUUACIJSA-N 2 1 348.491 1.704 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365886580 446387918 /nfs/dbraw/zinc/38/79/18/446387918.db2.gz PNUTVNHBYFAHCB-UHFFFAOYSA-N 2 1 345.451 1.867 20 0 EDADMP CC[NH+](CC)CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000365887919 446389268 /nfs/dbraw/zinc/38/92/68/446389268.db2.gz RBEZMKPYILCDCN-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000417950104 446396301 /nfs/dbraw/zinc/39/63/01/446396301.db2.gz VPZOXYGAHICADM-BSDSXHPESA-N 2 1 346.475 1.580 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000370770651 446427903 /nfs/dbraw/zinc/42/79/03/446427903.db2.gz DVNXHRJWRNHYNK-JLSDUUJJSA-N 2 1 331.460 1.765 20 0 EDADMP CSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC[NH+](C)CC1 ZINC000423119489 446429365 /nfs/dbraw/zinc/42/93/65/446429365.db2.gz COBTZWUQCLDYSJ-XHSDSOJGSA-N 3 1 327.538 1.561 20 0 EDADMP CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374876785 446430188 /nfs/dbraw/zinc/43/01/88/446430188.db2.gz NFWUMKJAYQUKOO-KRWDZBQOSA-N 2 1 347.507 1.635 20 0 EDADMP CC(C)c1nccn1C[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374876785 446430191 /nfs/dbraw/zinc/43/01/91/446430191.db2.gz NFWUMKJAYQUKOO-KRWDZBQOSA-N 2 1 347.507 1.635 20 0 EDADMP O[C@@H](C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1)C1CCCCC1 ZINC000366964513 446431249 /nfs/dbraw/zinc/43/12/49/446431249.db2.gz UWFBQJKGUCOEIT-IBGZPJMESA-N 2 1 339.524 1.268 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000370774605 446431814 /nfs/dbraw/zinc/43/18/14/446431814.db2.gz SHGKIQBQFRIYOT-YSHGAJCASA-N 2 1 345.487 1.562 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000418075964 446432908 /nfs/dbraw/zinc/43/29/08/446432908.db2.gz HWJXQQVHNCMTHP-IAGOWNOFSA-N 2 1 348.516 1.641 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000418075964 446432910 /nfs/dbraw/zinc/43/29/10/446432910.db2.gz HWJXQQVHNCMTHP-IAGOWNOFSA-N 2 1 348.516 1.641 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)CCC(F)(F)F ZINC000418080991 446434416 /nfs/dbraw/zinc/43/44/16/446434416.db2.gz ULURKEHVJAXCAK-CHWSQXEVSA-N 2 1 336.402 1.512 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCSC[C@@H]3C3CCC3)cn2)CC1 ZINC000418119849 446442469 /nfs/dbraw/zinc/44/24/69/446442469.db2.gz ABWWRJAVAQNVPY-QGZVFWFLSA-N 2 1 347.532 1.946 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCSC[C@@H]3C3CCC3)cn2)CC1 ZINC000418119849 446442479 /nfs/dbraw/zinc/44/24/79/446442479.db2.gz ABWWRJAVAQNVPY-QGZVFWFLSA-N 2 1 347.532 1.946 20 0 EDADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(-n2cnnn2)cc1 ZINC000423189844 446448680 /nfs/dbraw/zinc/44/86/80/446448680.db2.gz QAGIKQPNSPESBH-HNNXBMFYSA-N 2 1 337.431 1.888 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC000418008255 446413764 /nfs/dbraw/zinc/41/37/64/446413764.db2.gz GYROPKRAIFREKQ-TZMCWYRMSA-N 2 1 326.391 1.400 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC(F)(F)C[NH3+] ZINC000418008255 446413770 /nfs/dbraw/zinc/41/37/70/446413770.db2.gz GYROPKRAIFREKQ-TZMCWYRMSA-N 2 1 326.391 1.400 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418009158 446414654 /nfs/dbraw/zinc/41/46/54/446414654.db2.gz HVQDTHYHMLKBLH-WBVHZDCISA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418016371 446416492 /nfs/dbraw/zinc/41/64/92/446416492.db2.gz QZINCVLXBNSZQP-XLMAVXFVSA-N 2 1 330.476 1.899 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)C3([NH3+])Cc4ccccc4C3)CC2)CCO1 ZINC000370762901 446422104 /nfs/dbraw/zinc/42/21/04/446422104.db2.gz CNVMFPAOXBAJKD-HNNXBMFYSA-N 2 1 343.471 1.194 20 0 EDADMP COCC[NH2+]CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370764027 446422967 /nfs/dbraw/zinc/42/29/67/446422967.db2.gz UBRGECRHWLCVNM-FQEVSTJZSA-N 2 1 345.487 1.737 20 0 EDADMP CC[NH2+]CC1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000420290201 446454619 /nfs/dbraw/zinc/45/46/19/446454619.db2.gz LNRWPESVVRSEPE-IBGZPJMESA-N 2 1 346.519 1.727 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000418192229 446455144 /nfs/dbraw/zinc/45/51/44/446455144.db2.gz MDJKYQSSUJZHTJ-NXWXRZEISA-N 2 1 342.487 1.900 20 0 EDADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H](CCO)c1ccccc1 ZINC000420298119 446459842 /nfs/dbraw/zinc/45/98/42/446459842.db2.gz GTVTZADUXCSZSQ-ZCNNSNEGSA-N 2 1 328.456 1.973 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000420309161 446471997 /nfs/dbraw/zinc/47/19/97/446471997.db2.gz OJTODYCAOGZXNM-XWTMOSNGSA-N 3 1 330.476 1.075 20 0 EDADMP CC(C)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000370840482 446473741 /nfs/dbraw/zinc/47/37/41/446473741.db2.gz VVUXCOLZTQNECF-OAHLLOKOSA-N 2 1 333.480 1.774 20 0 EDADMP CC(C)c1cc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000370840482 446473746 /nfs/dbraw/zinc/47/37/46/446473746.db2.gz VVUXCOLZTQNECF-OAHLLOKOSA-N 2 1 333.480 1.774 20 0 EDADMP CCN(C)C(=O)CC[N@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000420318437 446483905 /nfs/dbraw/zinc/48/39/05/446483905.db2.gz WDCPRLDINJYSJM-MRXNPFEDSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C)C(=O)CC[N@@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000420318437 446483908 /nfs/dbraw/zinc/48/39/08/446483908.db2.gz WDCPRLDINJYSJM-MRXNPFEDSA-N 2 1 347.507 1.716 20 0 EDADMP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420318333 446483933 /nfs/dbraw/zinc/48/39/33/446483933.db2.gz OMLXZJJSYSPAKU-IRXDYDNUSA-N 2 1 328.412 1.778 20 0 EDADMP C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420318333 446483937 /nfs/dbraw/zinc/48/39/37/446483937.db2.gz OMLXZJJSYSPAKU-IRXDYDNUSA-N 2 1 328.412 1.778 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000432639374 446487374 /nfs/dbraw/zinc/48/73/74/446487374.db2.gz WQRQSTLXRPVXKU-IYBDPMFKSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000432639374 446487384 /nfs/dbraw/zinc/48/73/84/446487384.db2.gz WQRQSTLXRPVXKU-IYBDPMFKSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@@H](CNC(=O)COC1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000423335024 446493358 /nfs/dbraw/zinc/49/33/58/446493358.db2.gz TVDPPXUZRKAUQY-SFHVURJKSA-N 2 1 345.487 1.708 20 0 EDADMP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420325892 446493600 /nfs/dbraw/zinc/49/36/00/446493600.db2.gz CABWJXCEQRCKBX-IYBDPMFKSA-N 2 1 345.443 1.652 20 0 EDADMP Cc1cc(C)cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420328011 446495564 /nfs/dbraw/zinc/49/55/64/446495564.db2.gz MDQKMAFMXZCPST-MRXNPFEDSA-N 2 1 331.460 1.929 20 0 EDADMP Cc1cc(C)cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420328011 446495569 /nfs/dbraw/zinc/49/55/69/446495569.db2.gz MDQKMAFMXZCPST-MRXNPFEDSA-N 2 1 331.460 1.929 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000423364556 446501186 /nfs/dbraw/zinc/50/11/86/446501186.db2.gz OSVZGWLSRHXFQY-GJYPPUQNSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000423364556 446501188 /nfs/dbraw/zinc/50/11/88/446501188.db2.gz OSVZGWLSRHXFQY-GJYPPUQNSA-N 2 1 345.487 1.912 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)CC12CCOCC2 ZINC000420335456 446506206 /nfs/dbraw/zinc/50/62/06/446506206.db2.gz UYPFMBIHGBSEQE-AEFFLSMTSA-N 2 1 343.471 1.694 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)CC12CCOCC2 ZINC000420335456 446506210 /nfs/dbraw/zinc/50/62/10/446506210.db2.gz UYPFMBIHGBSEQE-AEFFLSMTSA-N 2 1 343.471 1.694 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCC3CCOCC3)CC2)CC1 ZINC000432813517 446509768 /nfs/dbraw/zinc/50/97/68/446509768.db2.gz NQYLHKDIAPSRQG-UHFFFAOYSA-N 2 1 337.508 1.679 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NCC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000418351668 446510251 /nfs/dbraw/zinc/51/02/51/446510251.db2.gz ZWYAICYUOQUABV-QGZVFWFLSA-N 2 1 330.476 1.822 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC[N@@H+]1CCOC ZINC000423383542 446512690 /nfs/dbraw/zinc/51/26/90/446512690.db2.gz JMQVVCPWTNSNDW-SJORKVTESA-N 2 1 325.497 1.853 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC[N@H+]1CCOC ZINC000423383542 446512693 /nfs/dbraw/zinc/51/26/93/446512693.db2.gz JMQVVCPWTNSNDW-SJORKVTESA-N 2 1 325.497 1.853 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418366337 446516543 /nfs/dbraw/zinc/51/65/43/446516543.db2.gz POIGWFFDQJTKHL-CGTJXYLNSA-N 2 1 348.491 1.024 20 0 EDADMP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC[NH2+]C ZINC000418317777 446497181 /nfs/dbraw/zinc/49/71/81/446497181.db2.gz BCAMVWVXATZILF-QAPCUYQASA-N 2 1 347.507 1.851 20 0 EDADMP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC[NH2+]C ZINC000418317777 446497186 /nfs/dbraw/zinc/49/71/86/446497186.db2.gz BCAMVWVXATZILF-QAPCUYQASA-N 2 1 347.507 1.851 20 0 EDADMP C[C@H]1CCOCCN1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000374990200 446497916 /nfs/dbraw/zinc/49/79/16/446497916.db2.gz SDYNHGVJTMBKNL-HNNXBMFYSA-N 2 1 337.489 1.503 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418486075 446562780 /nfs/dbraw/zinc/56/27/80/446562780.db2.gz INRGSQXVSVLBGP-CRAIPNDOSA-N 2 1 330.476 1.887 20 0 EDADMP Cc1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)n2c1 ZINC000420346090 446519663 /nfs/dbraw/zinc/51/96/63/446519663.db2.gz XJYNSEFNMCLGIN-HZPDHXFCSA-N 2 1 326.444 1.824 20 0 EDADMP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(OC)c1 ZINC000420345561 446519709 /nfs/dbraw/zinc/51/97/09/446519709.db2.gz VTPIEDBYSHEISO-KFWWJZLASA-N 2 1 347.459 1.962 20 0 EDADMP O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420346779 446521204 /nfs/dbraw/zinc/52/12/04/446521204.db2.gz DNVSBWJAIDLFIG-ROUUACIJSA-N 2 1 346.450 1.125 20 0 EDADMP O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420346779 446521208 /nfs/dbraw/zinc/52/12/08/446521208.db2.gz DNVSBWJAIDLFIG-ROUUACIJSA-N 2 1 346.450 1.125 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423418145 446526177 /nfs/dbraw/zinc/52/61/77/446526177.db2.gz UGAGSRAHUBSZGZ-ROUUACIJSA-N 2 1 345.491 1.802 20 0 EDADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N[C@H]1CCCc2ccccc21 ZINC000420351097 446529566 /nfs/dbraw/zinc/52/95/66/446529566.db2.gz VWISWNYRCXBRMO-MJGOQNOKSA-N 2 1 342.487 1.160 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N[C@H]1CCCc2ccccc21 ZINC000420351097 446529572 /nfs/dbraw/zinc/52/95/72/446529572.db2.gz VWISWNYRCXBRMO-MJGOQNOKSA-N 2 1 342.487 1.160 20 0 EDADMP CC(C)([NH3+])CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418415197 446536008 /nfs/dbraw/zinc/53/60/08/446536008.db2.gz NEPJWYURJYLXEC-IAGOWNOFSA-N 2 1 330.476 1.887 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC(C)(C)[NH3+] ZINC000418416907 446536765 /nfs/dbraw/zinc/53/67/65/446536765.db2.gz RVWZDQSKQKINFH-UHFFFAOYSA-N 2 1 333.480 1.187 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000418497304 446567432 /nfs/dbraw/zinc/56/74/32/446567432.db2.gz WCEWTCJKXUHBGV-HUUCEWRRSA-N 2 1 348.491 1.693 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000418430882 446540524 /nfs/dbraw/zinc/54/05/24/446540524.db2.gz PLWIQIMBMXWJIB-USXIJHARSA-N 2 1 334.464 1.173 20 0 EDADMP CN1CC[NH+](CCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433163029 446540768 /nfs/dbraw/zinc/54/07/68/446540768.db2.gz WTHSPEPPSJVAFC-GOSISDBHSA-N 2 1 332.492 1.433 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@](C)(C(N)=O)c2ccccc2)cc1 ZINC000420362659 446543260 /nfs/dbraw/zinc/54/32/60/446543260.db2.gz BANSVELERWBFNG-HNAYVOBHSA-N 2 1 327.428 1.728 20 0 EDADMP CC1CC[NH+](CCCCNC(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433170444 446543572 /nfs/dbraw/zinc/54/35/72/446543572.db2.gz WUNZPCNACKUMME-UHFFFAOYSA-N 2 1 338.540 1.818 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1 ZINC000418442991 446545293 /nfs/dbraw/zinc/54/52/93/446545293.db2.gz KQNPTIGCTZJPNP-HNNXBMFYSA-N 2 1 327.517 1.219 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000418621634 446619054 /nfs/dbraw/zinc/61/90/54/446619054.db2.gz SYMOGHXICUUSAF-UAGQMJEPSA-N 2 1 339.528 1.312 20 0 EDADMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000434467606 446646447 /nfs/dbraw/zinc/64/64/47/446646447.db2.gz OUYPHVQWGPWHPW-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000434467606 446646454 /nfs/dbraw/zinc/64/64/54/446646454.db2.gz OUYPHVQWGPWHPW-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000434467606 446646457 /nfs/dbraw/zinc/64/64/57/446646457.db2.gz OUYPHVQWGPWHPW-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C[C@@H]1C ZINC000418683283 446646748 /nfs/dbraw/zinc/64/67/48/446646748.db2.gz WVUIPWAUTHDSNW-WMZOPIPTSA-N 2 1 348.491 1.829 20 0 EDADMP COCC[N@H+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C[C@@H]1C ZINC000418683283 446646751 /nfs/dbraw/zinc/64/67/51/446646751.db2.gz WVUIPWAUTHDSNW-WMZOPIPTSA-N 2 1 348.491 1.829 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000418730467 446657307 /nfs/dbraw/zinc/65/73/07/446657307.db2.gz SGUAUYSIWWUHMR-GJZGRUSLSA-N 2 1 328.501 1.502 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418735183 446661194 /nfs/dbraw/zinc/66/11/94/446661194.db2.gz TUDSPOCWQRZDDI-HOTGVXAUSA-N 2 1 326.485 1.256 20 0 EDADMP C[N@@H+]1CC[C@@H]2CCN(C[C@H](O)COCc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000375245287 446666685 /nfs/dbraw/zinc/66/66/85/446666685.db2.gz QGKBXZMPPSLLGE-IKGGRYGDSA-N 2 1 348.443 1.319 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C[C@H](O)COCc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000375245287 446666694 /nfs/dbraw/zinc/66/66/94/446666694.db2.gz QGKBXZMPPSLLGE-IKGGRYGDSA-N 2 1 348.443 1.319 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)cc1 ZINC000423738628 446670047 /nfs/dbraw/zinc/67/00/47/446670047.db2.gz UZZVDLOMBVVEAS-UYAOXDASSA-N 2 1 343.471 1.729 20 0 EDADMP O=C(COC1C[NH2+]C1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000423743569 446673294 /nfs/dbraw/zinc/67/32/94/446673294.db2.gz KDWTYHHUKCNUPY-UHFFFAOYSA-N 2 1 331.460 1.142 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)CC[C@@H]21 ZINC000418634693 446625179 /nfs/dbraw/zinc/62/51/79/446625179.db2.gz JOKMNMKWYUGQNH-QRQLOZEOSA-N 2 1 342.487 1.999 20 0 EDADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1 ZINC000423763494 446693011 /nfs/dbraw/zinc/69/30/11/446693011.db2.gz UUBXGCCQABISPQ-IAGOWNOFSA-N 2 1 333.480 1.325 20 0 EDADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1 ZINC000423763494 446693014 /nfs/dbraw/zinc/69/30/14/446693014.db2.gz UUBXGCCQABISPQ-IAGOWNOFSA-N 2 1 333.480 1.325 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423801679 446699499 /nfs/dbraw/zinc/69/94/99/446699499.db2.gz NNNIAQUYFLTISO-OAFZBRQQSA-N 2 1 337.508 1.756 20 0 EDADMP NC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411884047 446704754 /nfs/dbraw/zinc/70/47/54/446704754.db2.gz WIZBFBRZFMTWTN-GOSISDBHSA-N 2 1 331.460 1.749 20 0 EDADMP NC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411884047 446704759 /nfs/dbraw/zinc/70/47/59/446704759.db2.gz WIZBFBRZFMTWTN-GOSISDBHSA-N 2 1 331.460 1.749 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC1 ZINC000371231374 446705108 /nfs/dbraw/zinc/70/51/08/446705108.db2.gz VWYQIHAKACBWIS-GOSISDBHSA-N 2 1 336.524 1.347 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000371231374 446705114 /nfs/dbraw/zinc/70/51/14/446705114.db2.gz VWYQIHAKACBWIS-GOSISDBHSA-N 2 1 336.524 1.347 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000371231374 446705116 /nfs/dbraw/zinc/70/51/16/446705116.db2.gz VWYQIHAKACBWIS-GOSISDBHSA-N 2 1 336.524 1.347 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)c1cc(N(C)C[C@H]2CCC[N@H+]2C)ncn1 ZINC000420639073 446714930 /nfs/dbraw/zinc/71/49/30/446714930.db2.gz RFMIBXFRKQOKQB-HZPDHXFCSA-N 2 1 332.496 1.537 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]2C1 ZINC000375335887 446729165 /nfs/dbraw/zinc/72/91/65/446729165.db2.gz GTWIOOLGLZLNHE-ZCNNSNEGSA-N 2 1 329.488 1.771 20 0 EDADMP C[NH+]1C[C@H]2CN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@H]2C1 ZINC000375335887 446729173 /nfs/dbraw/zinc/72/91/73/446729173.db2.gz GTWIOOLGLZLNHE-ZCNNSNEGSA-N 2 1 329.488 1.771 20 0 EDADMP C[NH+]1C[C@H]2CN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@H]2C1 ZINC000375335887 446729178 /nfs/dbraw/zinc/72/91/78/446729178.db2.gz GTWIOOLGLZLNHE-ZCNNSNEGSA-N 2 1 329.488 1.771 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423748456 446678926 /nfs/dbraw/zinc/67/89/26/446678926.db2.gz UMBFDXHNRYIMBR-IAGOWNOFSA-N 2 1 336.524 1.393 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000423888841 446744480 /nfs/dbraw/zinc/74/44/80/446744480.db2.gz HMJKBBRVLZGKFC-DAYGRLMNSA-N 2 1 347.459 1.418 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000423888841 446744487 /nfs/dbraw/zinc/74/44/87/446744487.db2.gz HMJKBBRVLZGKFC-DAYGRLMNSA-N 2 1 347.459 1.418 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)C[C@H]1C ZINC000423902172 446752411 /nfs/dbraw/zinc/75/24/11/446752411.db2.gz UUIXBNNLIABBAW-HUUCEWRRSA-N 2 1 339.480 1.108 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)C[C@H]1C ZINC000423902172 446752418 /nfs/dbraw/zinc/75/24/18/446752418.db2.gz UUIXBNNLIABBAW-HUUCEWRRSA-N 2 1 339.480 1.108 20 0 EDADMP C[C@H]1C[N@@H+](CCC(=O)NC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371305638 446761987 /nfs/dbraw/zinc/76/19/87/446761987.db2.gz ZOJPOFYNRKOYQG-WMZOPIPTSA-N 2 1 336.524 1.393 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc4cnccn34)C2)CC1 ZINC000371336432 446784476 /nfs/dbraw/zinc/78/44/76/446784476.db2.gz PAZULUTVPSPNFW-INIZCTEOSA-N 2 1 328.464 1.330 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc4cnccn34)C2)CC1 ZINC000371336432 446784484 /nfs/dbraw/zinc/78/44/84/446784484.db2.gz PAZULUTVPSPNFW-INIZCTEOSA-N 2 1 328.464 1.330 20 0 EDADMP C[C@@H]([NH3+])c1ccc(C(=O)NC2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423952197 446795313 /nfs/dbraw/zinc/79/53/13/446795313.db2.gz POQXSCXNMLUHPL-RWBZWWBESA-N 2 1 330.476 1.653 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)CC1 ZINC000376967340 446827453 /nfs/dbraw/zinc/82/74/53/446827453.db2.gz KXEKRTKPPIIZBA-UHFFFAOYSA-N 2 1 340.512 1.347 20 0 EDADMP [NH3+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000424058767 446833118 /nfs/dbraw/zinc/83/31/18/446833118.db2.gz NUDTXINEPXXKGG-KRWDZBQOSA-N 2 1 331.460 1.353 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000419023842 446870682 /nfs/dbraw/zinc/87/06/82/446870682.db2.gz JZLBYDRSVFNPPF-CABCVRRESA-N 2 1 340.512 1.247 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000424453242 446874200 /nfs/dbraw/zinc/87/42/00/446874200.db2.gz JYEXXNAUGMUTLR-OAHLLOKOSA-N 2 1 346.475 1.583 20 0 EDADMP C[NH+](C)CCOc1cccc(NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000454475755 446884264 /nfs/dbraw/zinc/88/42/64/446884264.db2.gz FEXJGBHWTODMRN-WMLDXEAASA-N 2 1 332.448 1.795 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@H]3C[C@@H](O)C3)CC2)C[C@H](C)O1 ZINC000420956682 446927982 /nfs/dbraw/zinc/92/79/82/446927982.db2.gz ZTLKHJGHSLBPQW-WNKDZCFJSA-N 2 1 326.481 1.348 20 0 EDADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@H]3C[C@@H](O)C3)CC2)C[C@H](C)O1 ZINC000420956682 446927989 /nfs/dbraw/zinc/92/79/89/446927989.db2.gz ZTLKHJGHSLBPQW-WNKDZCFJSA-N 2 1 326.481 1.348 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000442720838 446943524 /nfs/dbraw/zinc/94/35/24/446943524.db2.gz ZIEHYCQCPHTLKD-CVEARBPZSA-N 2 1 332.448 1.592 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000442720838 446943531 /nfs/dbraw/zinc/94/35/31/446943531.db2.gz ZIEHYCQCPHTLKD-CVEARBPZSA-N 2 1 332.448 1.592 20 0 EDADMP CC[N@H+](CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)C1CC1 ZINC000368570601 446949789 /nfs/dbraw/zinc/94/97/89/446949789.db2.gz XBDGSBVMIQFVGT-HNNXBMFYSA-N 2 1 331.464 1.663 20 0 EDADMP CC[N@@H+](CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)C1CC1 ZINC000368570601 446949793 /nfs/dbraw/zinc/94/97/93/446949793.db2.gz XBDGSBVMIQFVGT-HNNXBMFYSA-N 2 1 331.464 1.663 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000454759953 446966677 /nfs/dbraw/zinc/96/66/77/446966677.db2.gz MDCSKJVIRMCKFP-RYQLBKOJSA-N 2 1 330.476 1.852 20 0 EDADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454759953 446966678 /nfs/dbraw/zinc/96/66/78/446966678.db2.gz MDCSKJVIRMCKFP-RYQLBKOJSA-N 2 1 330.476 1.852 20 0 EDADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454759953 446966679 /nfs/dbraw/zinc/96/66/79/446966679.db2.gz MDCSKJVIRMCKFP-RYQLBKOJSA-N 2 1 330.476 1.852 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442793781 446969741 /nfs/dbraw/zinc/96/97/41/446969741.db2.gz SBRDCJAKMOUIRV-QLFBSQMISA-N 2 1 349.475 1.859 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442793781 446969762 /nfs/dbraw/zinc/96/97/62/446969762.db2.gz SBRDCJAKMOUIRV-QLFBSQMISA-N 2 1 349.475 1.859 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](CCO)CC1)c1ccccc1 ZINC000421019710 446990208 /nfs/dbraw/zinc/99/02/08/446990208.db2.gz QDRBLHXPFBDJJM-PKOBYXMFSA-N 2 1 347.503 1.890 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCS(=O)(=O)N(C)C)C2)c1 ZINC000375719904 446999975 /nfs/dbraw/zinc/99/99/75/446999975.db2.gz XZGYJAPDUMPYDZ-AWEZNQCLSA-N 2 1 326.466 1.015 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCS(=O)(=O)N(C)C)C2)c1 ZINC000375719904 446999983 /nfs/dbraw/zinc/99/99/83/446999983.db2.gz XZGYJAPDUMPYDZ-AWEZNQCLSA-N 2 1 326.466 1.015 20 0 EDADMP C[C@H](C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000372099442 447000378 /nfs/dbraw/zinc/00/03/78/447000378.db2.gz UVYDISXFPHYMQE-WDSOQIARSA-N 2 1 344.503 1.561 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@]3(C)CCO[C@@H]3C3CC3)cn2)CC1 ZINC000372346912 447043844 /nfs/dbraw/zinc/04/38/44/447043844.db2.gz JMCZOAFNMAZXED-AEFFLSMTSA-N 2 1 331.464 1.276 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cn2cc[nH+]c12 ZINC000421307948 447121081 /nfs/dbraw/zinc/12/10/81/447121081.db2.gz PPZLEBNNODJXLL-CQSZACIVSA-N 2 1 329.404 1.134 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)cn2cc[nH+]c12 ZINC000421307948 447121082 /nfs/dbraw/zinc/12/10/82/447121082.db2.gz PPZLEBNNODJXLL-CQSZACIVSA-N 2 1 329.404 1.134 20 0 EDADMP CCOC(C)(C)CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000444131140 447078183 /nfs/dbraw/zinc/07/81/83/447078183.db2.gz XAGAYYFHYSMSJY-INIZCTEOSA-N 2 1 342.528 1.859 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)[N@H+]1CCc2ccccc2C1 ZINC000444187713 447091834 /nfs/dbraw/zinc/09/18/34/447091834.db2.gz SNLGJCFGIITIDH-HBFSDRIKSA-N 2 1 327.472 1.939 20 0 EDADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000455236205 447094051 /nfs/dbraw/zinc/09/40/51/447094051.db2.gz XYTMVIUVKBNNHQ-KRWDZBQOSA-N 2 1 348.491 1.759 20 0 EDADMP CCn1ccnc1[C@@H](C)NC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000455459716 447135615 /nfs/dbraw/zinc/13/56/15/447135615.db2.gz UFOHYCMSCOKERG-CABCVRRESA-N 2 1 337.468 1.620 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000425463316 447174029 /nfs/dbraw/zinc/17/40/29/447174029.db2.gz HOCXDYZPHGVHDS-LSDHHAIUSA-N 2 1 338.496 1.364 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCC(=O)N3CCN(C)CC3)C2)c1 ZINC000375958044 447175026 /nfs/dbraw/zinc/17/50/26/447175026.db2.gz ATMSVPIBSTZDMN-KRWDZBQOSA-N 2 1 345.491 1.288 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCC(=O)N3CCN(C)CC3)C2)c1 ZINC000375958044 447175029 /nfs/dbraw/zinc/17/50/29/447175029.db2.gz ATMSVPIBSTZDMN-KRWDZBQOSA-N 2 1 345.491 1.288 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000413443986 447184604 /nfs/dbraw/zinc/18/46/04/447184604.db2.gz RVSFZCRPRDUXGF-RBUKOAKNSA-N 2 1 345.487 1.980 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000419456459 447189900 /nfs/dbraw/zinc/18/99/00/447189900.db2.gz ABHYQAPHMLMCKO-IXDOHACOSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000455662740 447200864 /nfs/dbraw/zinc/20/08/64/447200864.db2.gz VQLOSLCQBLBATF-OAHLLOKOSA-N 2 1 336.484 1.640 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000372639340 447201533 /nfs/dbraw/zinc/20/15/33/447201533.db2.gz JQDHGVBIXCLSDA-QGZVFWFLSA-N 2 1 333.480 1.583 20 0 EDADMP O=C(NCCc1cn2ccccc2n1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377579370 447218940 /nfs/dbraw/zinc/21/89/40/447218940.db2.gz CSMMODYJWDUBBF-JKSUJKDBSA-N 2 1 343.431 1.039 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C ZINC000419513965 447235619 /nfs/dbraw/zinc/23/56/19/447235619.db2.gz NGOBVKVFRCAIGD-OWCLPIDISA-N 2 1 328.501 1.203 20 0 EDADMP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000372716464 447242341 /nfs/dbraw/zinc/24/23/41/447242341.db2.gz OYQKJFCRLVBMJL-HZPDHXFCSA-N 2 1 344.459 1.660 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1CCC(=O)OC(C)(C)C ZINC000369050145 447287617 /nfs/dbraw/zinc/28/76/17/447287617.db2.gz BYGVANQNYBLJDJ-HZPDHXFCSA-N 2 1 341.496 1.055 20 0 EDADMP CC1CCC([NH+]2CCC([N@H+](C)CCCS(N)(=O)=O)CC2)CC1 ZINC000369013042 447263272 /nfs/dbraw/zinc/26/32/72/447263272.db2.gz XKYRSSYOIJQVBU-UHFFFAOYSA-N 2 1 331.526 1.640 20 0 EDADMP CC1CCC([NH+]2CCC([N@@H+](C)CCCS(N)(=O)=O)CC2)CC1 ZINC000369013042 447263277 /nfs/dbraw/zinc/26/32/77/447263277.db2.gz XKYRSSYOIJQVBU-UHFFFAOYSA-N 2 1 331.526 1.640 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)COC2(C)C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000379681206 447453902 /nfs/dbraw/zinc/45/39/02/447453902.db2.gz PQQHWMHOZZIOFH-WBVHZDCISA-N 2 1 331.460 1.534 20 0 EDADMP COCC1(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000390006664 447489417 /nfs/dbraw/zinc/48/94/17/447489417.db2.gz XAAXCNXMXKQFPV-WMZOPIPTSA-N 2 1 345.487 1.639 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OCC)C2)[C@@H](C)C1 ZINC000495382546 447500172 /nfs/dbraw/zinc/50/01/72/447500172.db2.gz QIJQEKYIAVMNNI-ULQDDVLXSA-N 2 1 341.496 1.944 20 0 EDADMP O[C@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)Cn1cccn1 ZINC000390878660 447504064 /nfs/dbraw/zinc/50/40/64/447504064.db2.gz VDDITWTYFBYNMP-RTBURBONSA-N 2 1 344.459 1.125 20 0 EDADMP O[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)Cn1cccn1 ZINC000390878660 447504071 /nfs/dbraw/zinc/50/40/71/447504071.db2.gz VDDITWTYFBYNMP-RTBURBONSA-N 2 1 344.459 1.125 20 0 EDADMP C[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000390911487 447506420 /nfs/dbraw/zinc/50/64/20/447506420.db2.gz XGUKNAFIZPDKCA-MJGOQNOKSA-N 2 1 331.460 1.393 20 0 EDADMP O=C(C[C@H]1C[NH2+]CCO1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390991641 447508665 /nfs/dbraw/zinc/50/86/65/447508665.db2.gz MTEHPEKXQJHODO-IPQPSQTFSA-N 2 1 343.471 1.677 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000458759164 447472338 /nfs/dbraw/zinc/47/23/38/447472338.db2.gz CTGVRXAJLLXXGZ-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458759164 447472345 /nfs/dbraw/zinc/47/23/45/447472345.db2.gz CTGVRXAJLLXXGZ-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458759164 447472348 /nfs/dbraw/zinc/47/23/48/447472348.db2.gz CTGVRXAJLLXXGZ-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP CN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1ccco1 ZINC000457437987 447581820 /nfs/dbraw/zinc/58/18/20/447581820.db2.gz INEJLCANPYJTCQ-GJZGRUSLSA-N 2 1 338.452 1.028 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccco1 ZINC000457437987 447581827 /nfs/dbraw/zinc/58/18/27/447581827.db2.gz INEJLCANPYJTCQ-GJZGRUSLSA-N 2 1 338.452 1.028 20 0 EDADMP CCN1CCOC[C@@H]1C(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC000427253970 447569294 /nfs/dbraw/zinc/56/92/94/447569294.db2.gz UZPRJYSKMVNNCK-GFCCVEGCSA-N 2 1 325.375 1.098 20 0 EDADMP CCN(CCNC(=O)[C@H]1COCCN1CC)CCC(F)(F)F ZINC000427253970 447569303 /nfs/dbraw/zinc/56/93/03/447569303.db2.gz UZPRJYSKMVNNCK-GFCCVEGCSA-N 2 1 325.375 1.098 20 0 EDADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C[C@H]4COCCO4)CC3)C2)cc1 ZINC000450979411 447641388 /nfs/dbraw/zinc/64/13/88/447641388.db2.gz ANJMZTFPZCXFRL-UXHICEINSA-N 2 1 345.487 1.294 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C[C@H]4COCCO4)CC3)C2)cc1 ZINC000450979411 447641391 /nfs/dbraw/zinc/64/13/91/447641391.db2.gz ANJMZTFPZCXFRL-UXHICEINSA-N 2 1 345.487 1.294 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC[N@@H+]1C ZINC000420116453 447611420 /nfs/dbraw/zinc/61/14/20/447611420.db2.gz HBULBANZEXAXPL-WMLDXEAASA-N 2 1 346.475 1.121 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC[N@H+]1C ZINC000420116453 447611424 /nfs/dbraw/zinc/61/14/24/447611424.db2.gz HBULBANZEXAXPL-WMLDXEAASA-N 2 1 346.475 1.121 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416890791 447703161 /nfs/dbraw/zinc/70/31/61/447703161.db2.gz WZUNGOZKUNBULF-MRXNPFEDSA-N 2 1 348.491 1.836 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000420211180 447671362 /nfs/dbraw/zinc/67/13/62/447671362.db2.gz DYZYDZIRDPXBRM-JKQORVJESA-N 2 1 333.480 2.266 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCc2cc(F)cc(F)c2)C[C@H]1C[NH3+] ZINC000422631155 447679445 /nfs/dbraw/zinc/67/94/45/447679445.db2.gz FCIBMPUVGNFBLH-MBNYWOFBSA-N 2 1 325.403 1.886 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)C[C@H]1C[NH3+] ZINC000422631155 447679449 /nfs/dbraw/zinc/67/94/49/447679449.db2.gz FCIBMPUVGNFBLH-MBNYWOFBSA-N 2 1 325.403 1.886 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1c1cc[nH+]cc1Br ZINC000420239933 447682873 /nfs/dbraw/zinc/68/28/73/447682873.db2.gz GIIJBXXUYXCOSK-NSHDSACASA-N 2 1 341.253 1.668 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCC(C)CC1 ZINC000458048768 447708563 /nfs/dbraw/zinc/70/85/63/447708563.db2.gz OSISOZAZXKIDGT-IAGOWNOFSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000422690509 447715201 /nfs/dbraw/zinc/71/52/01/447715201.db2.gz GNGFBZHMNGYOPJ-WDEREUQCSA-N 2 1 326.238 1.975 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N(C)[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000416941883 447718778 /nfs/dbraw/zinc/71/87/78/447718778.db2.gz KPWWUCYXBNWIED-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416955293 447726223 /nfs/dbraw/zinc/72/62/23/447726223.db2.gz MECBKTVKUANTOR-GDBMZVCRSA-N 2 1 326.485 1.114 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC[C@H]([NH3+])C3)c2)CCO1 ZINC000417268756 447740360 /nfs/dbraw/zinc/74/03/60/447740360.db2.gz KGLVQJZWTPMUER-YJBOKZPZSA-N 2 1 346.475 1.540 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC[C@H]([NH3+])C3)c2)CCO1 ZINC000417268756 447740365 /nfs/dbraw/zinc/74/03/65/447740365.db2.gz KGLVQJZWTPMUER-YJBOKZPZSA-N 2 1 346.475 1.540 20 0 EDADMP C[C@H]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@@H]1C[NH3+] ZINC000417272483 447740750 /nfs/dbraw/zinc/74/07/50/447740750.db2.gz RBPBMDKRJQPJGY-ZFWWWQNUSA-N 2 1 336.505 1.733 20 0 EDADMP C[C@H]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@@H]1C[NH3+] ZINC000417272483 447740755 /nfs/dbraw/zinc/74/07/55/447740755.db2.gz RBPBMDKRJQPJGY-ZFWWWQNUSA-N 2 1 336.505 1.733 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422772780 447747182 /nfs/dbraw/zinc/74/71/82/447747182.db2.gz SWLOGXPDVTWKKZ-ZIAGYGMSSA-N 2 1 339.505 1.976 20 0 EDADMP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000429428721 447748146 /nfs/dbraw/zinc/74/81/46/447748146.db2.gz USULHSCXRDKXCI-YOEHRIQHSA-N 2 1 340.489 1.537 20 0 EDADMP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000429428721 447748148 /nfs/dbraw/zinc/74/81/48/447748148.db2.gz USULHSCXRDKXCI-YOEHRIQHSA-N 2 1 340.489 1.537 20 0 EDADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458335351 447771611 /nfs/dbraw/zinc/77/16/11/447771611.db2.gz DKQUGDNNVYQWFC-IXDOHACOSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458335351 447771613 /nfs/dbraw/zinc/77/16/13/447771613.db2.gz DKQUGDNNVYQWFC-IXDOHACOSA-N 2 1 340.512 1.395 20 0 EDADMP CC[C@@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422956223 447780202 /nfs/dbraw/zinc/78/02/02/447780202.db2.gz OTEGLHVVPKDKGI-MSOLQXFVSA-N 2 1 336.524 1.441 20 0 EDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000430579236 447781719 /nfs/dbraw/zinc/78/17/19/447781719.db2.gz BVWHNDFYNPERGC-SNVBAGLBSA-N 2 1 326.363 1.070 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423085145 447802408 /nfs/dbraw/zinc/80/24/08/447802408.db2.gz JSLCLJWARDEGBB-FGTMMUONSA-N 2 1 331.460 1.392 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423085145 447802410 /nfs/dbraw/zinc/80/24/10/447802410.db2.gz JSLCLJWARDEGBB-FGTMMUONSA-N 2 1 331.460 1.392 20 0 EDADMP COC(=O)c1cn(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)nn1 ZINC000423108968 447806921 /nfs/dbraw/zinc/80/69/21/447806921.db2.gz RYWRKQWMODCSJW-LSDHHAIUSA-N 2 1 329.404 1.148 20 0 EDADMP CN(C[C@H](O)CN1CC[C@]2(CC[N@@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496627386 447836432 /nfs/dbraw/zinc/83/64/32/447836432.db2.gz ZDMDIMRPAHKZSI-YOEHRIQHSA-N 2 1 327.469 1.242 20 0 EDADMP CN(C[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496627386 447836434 /nfs/dbraw/zinc/83/64/34/447836434.db2.gz ZDMDIMRPAHKZSI-YOEHRIQHSA-N 2 1 327.469 1.242 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496627386 447836435 /nfs/dbraw/zinc/83/64/35/447836435.db2.gz ZDMDIMRPAHKZSI-YOEHRIQHSA-N 2 1 327.469 1.242 20 0 EDADMP CN(C[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496627386 447836437 /nfs/dbraw/zinc/83/64/37/447836437.db2.gz ZDMDIMRPAHKZSI-YOEHRIQHSA-N 2 1 327.469 1.242 20 0 EDADMP Cn1ccnc1[C@@H]1CC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496653344 447841463 /nfs/dbraw/zinc/84/14/63/447841463.db2.gz BWZIMSRKCUTPQM-CXAGYDPISA-N 2 1 338.452 1.485 20 0 EDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496702656 447852063 /nfs/dbraw/zinc/85/20/63/447852063.db2.gz PNFHUIJHEQIRRT-PBHICJAKSA-N 2 1 329.485 1.678 20 0 EDADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000496562719 447820924 /nfs/dbraw/zinc/82/09/24/447820924.db2.gz DRLPRHVGPKJJRV-IIDMSEBBSA-N 2 1 341.496 1.678 20 0 EDADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000496562719 447820925 /nfs/dbraw/zinc/82/09/25/447820925.db2.gz DRLPRHVGPKJJRV-IIDMSEBBSA-N 2 1 341.496 1.678 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC000496583828 447826640 /nfs/dbraw/zinc/82/66/40/447826640.db2.gz CAIWFQZKQHIXJA-ZSHCYNCHSA-N 2 1 339.480 1.552 20 0 EDADMP COC(=O)[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@@H]1C ZINC000530343170 447865295 /nfs/dbraw/zinc/86/52/95/447865295.db2.gz WPYKJYGWWMZMNE-GEEKYZPCSA-N 2 1 340.464 1.533 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@@H]1C ZINC000530343170 447865298 /nfs/dbraw/zinc/86/52/98/447865298.db2.gz WPYKJYGWWMZMNE-GEEKYZPCSA-N 2 1 340.464 1.533 20 0 EDADMP COC(=O)[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@@H]1C ZINC000530343170 447865302 /nfs/dbraw/zinc/86/53/02/447865302.db2.gz WPYKJYGWWMZMNE-GEEKYZPCSA-N 2 1 340.464 1.533 20 0 EDADMP CN1C[C@H](CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)OC1=O ZINC000496766396 447894914 /nfs/dbraw/zinc/89/49/14/447894914.db2.gz KHMMJEAEQCRMDD-RCCFBDPRSA-N 2 1 329.444 1.891 20 0 EDADMP CN1C[C@H](C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)OC1=O ZINC000496766396 447894920 /nfs/dbraw/zinc/89/49/20/447894920.db2.gz KHMMJEAEQCRMDD-RCCFBDPRSA-N 2 1 329.444 1.891 20 0 EDADMP CN1C[C@H](C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)OC1=O ZINC000496766396 447894924 /nfs/dbraw/zinc/89/49/24/447894924.db2.gz KHMMJEAEQCRMDD-RCCFBDPRSA-N 2 1 329.444 1.891 20 0 EDADMP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000569843154 447905098 /nfs/dbraw/zinc/90/50/98/447905098.db2.gz MOMPFBTXWZZAPM-FUHWJXTLSA-N 2 1 330.476 1.800 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570187752 447960803 /nfs/dbraw/zinc/96/08/03/447960803.db2.gz OVGDSEJROFDSPG-GOSISDBHSA-N 2 1 348.516 1.891 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570187752 447960807 /nfs/dbraw/zinc/96/08/07/447960807.db2.gz OVGDSEJROFDSPG-GOSISDBHSA-N 2 1 348.516 1.891 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000524366413 447928098 /nfs/dbraw/zinc/92/80/98/447928098.db2.gz ZYGADJNFXIWXBL-QZTJIDSGSA-N 2 1 330.476 1.186 20 0 EDADMP C[NH+]1CCN(c2ccc(CNC(=O)C[N@H+]3CCC(C)(C)C3)cn2)CC1 ZINC000553244973 447981887 /nfs/dbraw/zinc/98/18/87/447981887.db2.gz JWSHEONWABFIDW-UHFFFAOYSA-N 2 1 345.491 1.182 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000526088569 448097063 /nfs/dbraw/zinc/09/70/63/448097063.db2.gz GLYNDDKFYYJCKA-OAHLLOKOSA-N 2 1 346.475 1.187 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000570798151 448066543 /nfs/dbraw/zinc/06/65/43/448066543.db2.gz UAXMKIOLHDKZBB-OQSMONGASA-N 2 1 336.524 1.284 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000571282472 448127166 /nfs/dbraw/zinc/12/71/66/448127166.db2.gz OEIGQCVTKWQJJJ-GVDBMIGSSA-N 2 1 347.507 1.622 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000527012941 448138768 /nfs/dbraw/zinc/13/87/68/448138768.db2.gz CAFGYLXLPKVRES-LBPRGKRZSA-N 2 1 330.436 1.294 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000527012941 448138775 /nfs/dbraw/zinc/13/87/75/448138775.db2.gz CAFGYLXLPKVRES-LBPRGKRZSA-N 2 1 330.436 1.294 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/C1CCOCC1 ZINC000491882836 448143216 /nfs/dbraw/zinc/14/32/16/448143216.db2.gz KOQFVRMUHRKREN-LKGOPFMKSA-N 2 1 337.508 1.844 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000576835697 448151649 /nfs/dbraw/zinc/15/16/49/448151649.db2.gz KOSYWDVPXHWFKQ-IBGZPJMESA-N 2 1 347.503 1.757 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CCC1 ZINC000527076240 448153429 /nfs/dbraw/zinc/15/34/29/448153429.db2.gz OPJBBDNMDRKWMF-JKSUJKDBSA-N 2 1 338.496 1.413 20 0 EDADMP CC(C)n1nccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000531936090 448174702 /nfs/dbraw/zinc/17/47/02/448174702.db2.gz ARMSUOSIJKRLFH-UHFFFAOYSA-N 2 1 328.420 1.863 20 0 EDADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000514799179 448206473 /nfs/dbraw/zinc/20/64/73/448206473.db2.gz SSJBFUAMZVCWMM-HZPDHXFCSA-N 2 1 325.416 1.129 20 0 EDADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000514799179 448206480 /nfs/dbraw/zinc/20/64/80/448206480.db2.gz SSJBFUAMZVCWMM-HZPDHXFCSA-N 2 1 325.416 1.129 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000514817474 448207869 /nfs/dbraw/zinc/20/78/69/448207869.db2.gz GPTDMODEWMSPBH-MRXNPFEDSA-N 2 1 336.480 1.883 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1C ZINC000514817474 448207872 /nfs/dbraw/zinc/20/78/72/448207872.db2.gz GPTDMODEWMSPBH-MRXNPFEDSA-N 2 1 336.480 1.883 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOc3ccc4ccccc4c3)CCN2C1=O ZINC000582431823 448239778 /nfs/dbraw/zinc/23/97/78/448239778.db2.gz SIJDQUMHUVTSBV-SJLPKXTDSA-N 2 1 325.412 1.462 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOc3ccc4ccccc4c3)CCN2C1=O ZINC000582431823 448239780 /nfs/dbraw/zinc/23/97/80/448239780.db2.gz SIJDQUMHUVTSBV-SJLPKXTDSA-N 2 1 325.412 1.462 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000577264956 448249274 /nfs/dbraw/zinc/24/92/74/448249274.db2.gz IRPLMGAEJZDFMS-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP CC[C@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577264956 448249278 /nfs/dbraw/zinc/24/92/78/448249278.db2.gz IRPLMGAEJZDFMS-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP Cn1c2nnc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)n2c2ccccc2c1=O ZINC000515060626 448252191 /nfs/dbraw/zinc/25/21/91/448252191.db2.gz WKEJSIDNOVLAKT-CYBMUJFWSA-N 2 1 340.431 1.142 20 0 EDADMP Cn1c2nnc(C[N@H+]3CCC[C@H](CC[NH3+])C3)n2c2ccccc2c1=O ZINC000515060626 448252200 /nfs/dbraw/zinc/25/22/00/448252200.db2.gz WKEJSIDNOVLAKT-CYBMUJFWSA-N 2 1 340.431 1.142 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CC[C@H](OC)C3)CC2)CC1 ZINC000572176509 448308218 /nfs/dbraw/zinc/30/82/18/448308218.db2.gz CEFDRTIOEHFZMP-WMZOPIPTSA-N 2 1 337.508 1.866 20 0 EDADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577384569 448283236 /nfs/dbraw/zinc/28/32/36/448283236.db2.gz CFMRRSRYQYBCBB-RBUKOAKNSA-N 2 1 347.503 1.982 20 0 EDADMP C[NH+](Cc1cncc(C[N@H+](C)CC2(O)CCC2)c1)CC1(O)CCC1 ZINC000515292265 448286428 /nfs/dbraw/zinc/28/64/28/448286428.db2.gz ZAOCIEIBFAYDPJ-UHFFFAOYSA-N 2 1 333.476 1.775 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000582661049 448303408 /nfs/dbraw/zinc/30/34/08/448303408.db2.gz OIEHGKDEIYIGSY-FUHWJXTLSA-N 2 1 336.476 1.894 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000527795556 448362240 /nfs/dbraw/zinc/36/22/40/448362240.db2.gz POYHZGFICLKIDI-QGZVFWFLSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000527795556 448362247 /nfs/dbraw/zinc/36/22/47/448362247.db2.gz POYHZGFICLKIDI-QGZVFWFLSA-N 2 1 346.475 1.663 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000533194194 448371188 /nfs/dbraw/zinc/37/11/88/448371188.db2.gz PYNNGCSNHFVKDK-IAGOWNOFSA-N 2 1 338.496 1.367 20 0 EDADMP CC[N@H+]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000533194194 448371191 /nfs/dbraw/zinc/37/11/91/448371191.db2.gz PYNNGCSNHFVKDK-IAGOWNOFSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000572502580 448397569 /nfs/dbraw/zinc/39/75/69/448397569.db2.gz XJNISNJZBLDHND-CJNGLKHVSA-N 2 1 334.468 1.211 20 0 EDADMP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000572502580 448397575 /nfs/dbraw/zinc/39/75/75/448397575.db2.gz XJNISNJZBLDHND-CJNGLKHVSA-N 2 1 334.468 1.211 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)C2 ZINC000577952962 448424350 /nfs/dbraw/zinc/42/43/50/448424350.db2.gz KASHKWSRJIWICJ-IRXDYDNUSA-N 2 1 347.434 1.373 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000516653663 448458249 /nfs/dbraw/zinc/45/82/49/448458249.db2.gz PDXPKJLUAIVNMH-MSOLQXFVSA-N 2 1 332.492 1.465 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC[C@@H]21 ZINC000572759588 448458381 /nfs/dbraw/zinc/45/83/81/448458381.db2.gz LCOWKKMJHRMFGO-PVAVHDDUSA-N 2 1 331.464 1.364 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)C2 ZINC000583966190 448466431 /nfs/dbraw/zinc/46/64/31/448466431.db2.gz QCVGJPVKNMMLED-AWEZNQCLSA-N 2 1 342.447 1.856 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000578169394 448475884 /nfs/dbraw/zinc/47/58/84/448475884.db2.gz DCYQPIQJCZMPCX-UHFFFAOYSA-N 2 1 346.475 1.907 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000517233967 448558777 /nfs/dbraw/zinc/55/87/77/448558777.db2.gz LLMCNGLMTJGUHA-NUJGCVRESA-N 2 1 330.476 1.311 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)C(F)(F)F)c2)CCO1 ZINC000573236997 448577722 /nfs/dbraw/zinc/57/77/22/448577722.db2.gz TYJPJEFZCXAYTO-DOMZBBRYSA-N 2 1 332.366 1.920 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)C(F)(F)F)c2)CCO1 ZINC000573236997 448577727 /nfs/dbraw/zinc/57/77/27/448577727.db2.gz TYJPJEFZCXAYTO-DOMZBBRYSA-N 2 1 332.366 1.920 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000584467640 448537993 /nfs/dbraw/zinc/53/79/93/448537993.db2.gz XWRQTIVQTDNVJH-HZPDHXFCSA-N 2 1 348.495 1.354 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000517165543 448547013 /nfs/dbraw/zinc/54/70/13/448547013.db2.gz WFUHMYCRZLEVHT-FQEVSTJZSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CCC(=O)NC(N)=O ZINC000567103930 448613905 /nfs/dbraw/zinc/61/39/05/448613905.db2.gz YVDOTKWMCRHAJC-CQSZACIVSA-N 2 1 332.448 1.736 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCC2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000573308996 448592557 /nfs/dbraw/zinc/59/25/57/448592557.db2.gz ZGJVTWJTPITZAR-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573321352 448598698 /nfs/dbraw/zinc/59/86/98/448598698.db2.gz ISUDHLVTVHVYKS-LAQRGFTBSA-N 2 1 333.476 1.766 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573321352 448598703 /nfs/dbraw/zinc/59/87/03/448598703.db2.gz ISUDHLVTVHVYKS-LAQRGFTBSA-N 2 1 333.476 1.766 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000578647791 448603204 /nfs/dbraw/zinc/60/32/04/448603204.db2.gz HTHAQDBSMNQQIW-MJGOQNOKSA-N 2 1 346.519 1.856 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000518123243 448647456 /nfs/dbraw/zinc/64/74/56/448647456.db2.gz DYEOBVZSGVDKOC-ZWKOTPCHSA-N 2 1 330.476 1.752 20 0 EDADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000518123243 448647464 /nfs/dbraw/zinc/64/74/64/448647464.db2.gz DYEOBVZSGVDKOC-ZWKOTPCHSA-N 2 1 330.476 1.752 20 0 EDADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000518123243 448647469 /nfs/dbraw/zinc/64/74/69/448647469.db2.gz DYEOBVZSGVDKOC-ZWKOTPCHSA-N 2 1 330.476 1.752 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000573557140 448656930 /nfs/dbraw/zinc/65/69/30/448656930.db2.gz SOKANLFPHOJKLM-YESZJQIVSA-N 2 1 348.495 1.121 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000578878594 448661231 /nfs/dbraw/zinc/66/12/31/448661231.db2.gz CMXZXKSMFYMGHT-NMLBUPMWSA-N 2 1 348.487 1.430 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000578878594 448661235 /nfs/dbraw/zinc/66/12/35/448661235.db2.gz CMXZXKSMFYMGHT-NMLBUPMWSA-N 2 1 348.487 1.430 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000578878594 448661239 /nfs/dbraw/zinc/66/12/39/448661239.db2.gz CMXZXKSMFYMGHT-NMLBUPMWSA-N 2 1 348.487 1.430 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000578878594 448661242 /nfs/dbraw/zinc/66/12/42/448661242.db2.gz CMXZXKSMFYMGHT-NMLBUPMWSA-N 2 1 348.487 1.430 20 0 EDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@]12C[C@H]1CC[NH2+]2 ZINC000573593973 448666724 /nfs/dbraw/zinc/66/67/24/448666724.db2.gz ADJSTRASFSJDSY-AOIWGVFYSA-N 2 1 329.444 1.146 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000573620623 448672390 /nfs/dbraw/zinc/67/23/90/448672390.db2.gz IREOFJUXLVAALS-HUUCEWRRSA-N 2 1 332.448 1.969 20 0 EDADMP COC(=O)[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC000592129026 448699650 /nfs/dbraw/zinc/69/96/50/448699650.db2.gz UAKYTKTTXTUQSR-CRAIPNDOSA-N 2 1 332.444 1.760 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC000592129026 448699653 /nfs/dbraw/zinc/69/96/53/448699653.db2.gz UAKYTKTTXTUQSR-CRAIPNDOSA-N 2 1 332.444 1.760 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000567754485 448752727 /nfs/dbraw/zinc/75/27/27/448752727.db2.gz YQWRCGYGPYEVEF-BHIYHBOVSA-N 2 1 344.503 1.943 20 0 EDADMP COCCN(C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000579254417 448755532 /nfs/dbraw/zinc/75/55/32/448755532.db2.gz JBGPIGGVVVRCIS-LTFXXXRZSA-N 2 1 342.524 1.577 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000579254417 448755537 /nfs/dbraw/zinc/75/55/37/448755537.db2.gz JBGPIGGVVVRCIS-LTFXXXRZSA-N 2 1 342.524 1.577 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000579254417 448755540 /nfs/dbraw/zinc/75/55/40/448755540.db2.gz JBGPIGGVVVRCIS-LTFXXXRZSA-N 2 1 342.524 1.577 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000579254417 448755546 /nfs/dbraw/zinc/75/55/46/448755546.db2.gz JBGPIGGVVVRCIS-LTFXXXRZSA-N 2 1 342.524 1.577 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000579254417 448755551 /nfs/dbraw/zinc/75/55/51/448755551.db2.gz JBGPIGGVVVRCIS-LTFXXXRZSA-N 2 1 342.524 1.577 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000519292825 448757035 /nfs/dbraw/zinc/75/70/35/448757035.db2.gz JPLOOFCJUNRAPH-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000529336272 448829905 /nfs/dbraw/zinc/82/99/05/448829905.db2.gz AFJDAPBRYRTUDB-HCXYKTFWSA-N 2 1 342.487 1.756 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](CC(=O)NCCc2ccc(F)cc2)CC12CCOCC2 ZINC000579593720 448830100 /nfs/dbraw/zinc/83/01/00/448830100.db2.gz NZLIUJHJUAYMRU-INIZCTEOSA-N 2 1 349.450 1.172 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCCc2ccc(F)cc2)CC12CCOCC2 ZINC000579593720 448830104 /nfs/dbraw/zinc/83/01/04/448830104.db2.gz NZLIUJHJUAYMRU-INIZCTEOSA-N 2 1 349.450 1.172 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)cn2)CC1 ZINC000579673769 448846389 /nfs/dbraw/zinc/84/63/89/448846389.db2.gz XRIOXHHXLQGTSJ-KZNAEPCWSA-N 2 1 345.491 1.354 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)cn2)CC1 ZINC000579673769 448846395 /nfs/dbraw/zinc/84/63/95/448846395.db2.gz XRIOXHHXLQGTSJ-KZNAEPCWSA-N 2 1 345.491 1.354 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000519816267 448849626 /nfs/dbraw/zinc/84/96/26/448849626.db2.gz CPVLRWCMSBHPEI-SJLPKXTDSA-N 2 1 334.460 1.647 20 0 EDADMP CCc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c(C)nn1 ZINC000546795601 448850723 /nfs/dbraw/zinc/85/07/23/448850723.db2.gz YRSWCLQXOSKBET-KRWDZBQOSA-N 2 1 347.507 1.836 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NCC3CC[NH2+]CC3)CC2)c1 ZINC000579690576 448852868 /nfs/dbraw/zinc/85/28/68/448852868.db2.gz UDBBGBQULYNVLP-UHFFFAOYSA-N 2 1 330.476 1.822 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000529491256 448880929 /nfs/dbraw/zinc/88/09/29/448880929.db2.gz OOLANWRQKPKFDQ-UHFFFAOYSA-N 2 1 342.443 1.335 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000592558578 448900489 /nfs/dbraw/zinc/90/04/89/448900489.db2.gz BYODQBCVPQUGBA-GOEBONIOSA-N 2 1 339.480 1.251 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000529713966 448933184 /nfs/dbraw/zinc/93/31/84/448933184.db2.gz BPRMKDZRSNBGRS-MRXNPFEDSA-N 2 1 333.480 1.582 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000574516725 448891114 /nfs/dbraw/zinc/89/11/14/448891114.db2.gz SEGFAXDWKYQNCN-GOSISDBHSA-N 2 1 342.487 1.896 20 0 EDADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000520407610 448894317 /nfs/dbraw/zinc/89/43/17/448894317.db2.gz JYGITHUTQFKEOP-CABCVRRESA-N 2 1 342.867 1.434 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000579849511 448895935 /nfs/dbraw/zinc/89/59/35/448895935.db2.gz ZMELOQRTDLNKHO-ABHNRTSZSA-N 2 1 327.513 1.122 20 0 EDADMP Cc1cn2c(n1)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)CCC2 ZINC000574967560 448999972 /nfs/dbraw/zinc/99/99/72/448999972.db2.gz QIXXZWQHGFKTSA-HOTGVXAUSA-N 2 1 349.479 1.215 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)CCN2C1=O ZINC000521646622 449007005 /nfs/dbraw/zinc/00/70/05/449007005.db2.gz WEEBQANKXFFEOK-JSGCOSHPSA-N 2 1 343.349 1.372 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)CCN2C1=O ZINC000521646622 449007006 /nfs/dbraw/zinc/00/70/06/449007006.db2.gz WEEBQANKXFFEOK-JSGCOSHPSA-N 2 1 343.349 1.372 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000582171037 449028204 /nfs/dbraw/zinc/02/82/04/449028204.db2.gz BVXGLRSZZVDOBI-CVEARBPZSA-N 2 1 326.485 1.256 20 0 EDADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000589647284 449045183 /nfs/dbraw/zinc/04/51/83/449045183.db2.gz SHEIAAFWKAJIDR-HNNXBMFYSA-N 2 1 325.478 1.880 20 0 EDADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000589647284 449045185 /nfs/dbraw/zinc/04/51/85/449045185.db2.gz SHEIAAFWKAJIDR-HNNXBMFYSA-N 2 1 325.478 1.880 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000530214127 449084434 /nfs/dbraw/zinc/08/44/34/449084434.db2.gz YIQDHDGGJRGNJL-LBPRGKRZSA-N 2 1 330.354 1.387 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000530214127 449084436 /nfs/dbraw/zinc/08/44/36/449084436.db2.gz YIQDHDGGJRGNJL-LBPRGKRZSA-N 2 1 330.354 1.387 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592962081 449085284 /nfs/dbraw/zinc/08/52/84/449085284.db2.gz VZGZYPBQEVAPSL-CABCVRRESA-N 2 1 342.447 1.529 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000575235256 449066012 /nfs/dbraw/zinc/06/60/12/449066012.db2.gz WUXLDDIMYGXLJN-GOSISDBHSA-N 2 1 347.507 1.311 20 0 EDADMP COc1ccccc1NC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238867 449091056 /nfs/dbraw/zinc/09/10/56/449091056.db2.gz OTEPANQUXGAHEH-MRXNPFEDSA-N 2 1 347.459 1.724 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000593733360 449168484 /nfs/dbraw/zinc/16/84/84/449168484.db2.gz LUVYVJYJSYQCEX-CZUORRHYSA-N 2 1 348.447 1.793 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000593733360 449168487 /nfs/dbraw/zinc/16/84/87/449168487.db2.gz LUVYVJYJSYQCEX-CZUORRHYSA-N 2 1 348.447 1.793 20 0 EDADMP COC(=O)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000597941835 449151769 /nfs/dbraw/zinc/15/17/69/449151769.db2.gz DMAWGNJKAFRNKT-AWEZNQCLSA-N 2 1 335.448 1.475 20 0 EDADMP COC(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000597941835 449151772 /nfs/dbraw/zinc/15/17/72/449151772.db2.gz DMAWGNJKAFRNKT-AWEZNQCLSA-N 2 1 335.448 1.475 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1C ZINC000600191494 449236450 /nfs/dbraw/zinc/23/64/50/449236450.db2.gz PLCKDFWELFGWGT-MRXNPFEDSA-N 2 1 336.480 1.885 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1C ZINC000600191494 449236454 /nfs/dbraw/zinc/23/64/54/449236454.db2.gz PLCKDFWELFGWGT-MRXNPFEDSA-N 2 1 336.480 1.885 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(OC)ccn1 ZINC000604745585 449288654 /nfs/dbraw/zinc/28/86/54/449288654.db2.gz KXSZOCLDTDUKAG-HNNXBMFYSA-N 2 1 334.464 1.578 20 0 EDADMP C[C@H](Oc1cccnc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000605124166 449348981 /nfs/dbraw/zinc/34/89/81/449348981.db2.gz KMDNPYFKEMMJPA-AWEZNQCLSA-N 2 1 341.415 1.634 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000616981359 449415233 /nfs/dbraw/zinc/41/52/33/449415233.db2.gz IBYPNTVXHPPPFH-KRWDZBQOSA-N 2 1 331.464 1.439 20 0 EDADMP CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000596604883 449570886 /nfs/dbraw/zinc/57/08/86/449570886.db2.gz MCUHIIALLANJHZ-OAHLLOKOSA-N 2 1 342.553 1.940 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnn(-c2ccccc2)c1 ZINC000617504285 449649619 /nfs/dbraw/zinc/64/96/19/449649619.db2.gz OARJPKYTGFEEDL-INIZCTEOSA-N 2 1 343.475 1.874 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnn(-c2ccccc2)c1 ZINC000617504285 449649627 /nfs/dbraw/zinc/64/96/27/449649627.db2.gz OARJPKYTGFEEDL-INIZCTEOSA-N 2 1 343.475 1.874 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)N1CCCC1=O ZINC000617504940 449650322 /nfs/dbraw/zinc/65/03/22/449650322.db2.gz QCZQNSMUBCPWRM-DOTOQJQBSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)N1CCCC1=O ZINC000617504940 449650326 /nfs/dbraw/zinc/65/03/26/449650326.db2.gz QCZQNSMUBCPWRM-DOTOQJQBSA-N 2 1 340.512 1.022 20 0 EDADMP CCN(C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CC[N@H+](C)C1 ZINC000617555142 449685008 /nfs/dbraw/zinc/68/50/08/449685008.db2.gz QMBODZZSCKXDRW-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP CCN(C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CC[N@@H+](C)C1 ZINC000617555142 449685013 /nfs/dbraw/zinc/68/50/13/449685013.db2.gz QMBODZZSCKXDRW-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP CCN(C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH+](C)C1 ZINC000617555142 449685021 /nfs/dbraw/zinc/68/50/21/449685021.db2.gz QMBODZZSCKXDRW-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP CCN(C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH+](C)C1 ZINC000617555142 449685030 /nfs/dbraw/zinc/68/50/30/449685030.db2.gz QMBODZZSCKXDRW-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000617503570 449646419 /nfs/dbraw/zinc/64/64/19/449646419.db2.gz OYBQIRSDKVHOHA-ZDUSSCGKSA-N 2 1 325.428 1.836 20 0 EDADMP COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000617503570 449646424 /nfs/dbraw/zinc/64/64/24/449646424.db2.gz OYBQIRSDKVHOHA-ZDUSSCGKSA-N 2 1 325.428 1.836 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@H]1CCC[NH+]1C1CC1 ZINC000617703195 449749164 /nfs/dbraw/zinc/74/91/64/449749164.db2.gz DGPKPUHOQMSNAJ-RBUKOAKNSA-N 2 1 343.471 1.496 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000617703195 449749171 /nfs/dbraw/zinc/74/91/71/449749171.db2.gz DGPKPUHOQMSNAJ-RBUKOAKNSA-N 2 1 343.471 1.496 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000617703195 449749177 /nfs/dbraw/zinc/74/91/77/449749177.db2.gz DGPKPUHOQMSNAJ-RBUKOAKNSA-N 2 1 343.471 1.496 20 0 EDADMP CC1CC[NH+](CC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000617702596 449749427 /nfs/dbraw/zinc/74/94/27/449749427.db2.gz SZBSLCLXHIHBNV-IBGZPJMESA-N 2 1 345.487 1.601 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000612901519 449933468 /nfs/dbraw/zinc/93/34/68/449933468.db2.gz GCVXXYJEAPVOTO-MJGOQNOKSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H]1COCC[N@H+]1C1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)CC1 ZINC000615089360 449951152 /nfs/dbraw/zinc/95/11/52/449951152.db2.gz JBPOCYFPJQYVOZ-HOCLYGCPSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@H]1COCC[NH+]1C1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000615089360 449951157 /nfs/dbraw/zinc/95/11/57/449951157.db2.gz JBPOCYFPJQYVOZ-HOCLYGCPSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@H]1COCC[NH+]1C1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000615089360 449951160 /nfs/dbraw/zinc/95/11/60/449951160.db2.gz JBPOCYFPJQYVOZ-HOCLYGCPSA-N 2 1 341.521 1.135 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000608692372 449910651 /nfs/dbraw/zinc/91/06/51/449910651.db2.gz JHLMKIHVTNVOOX-IRXDYDNUSA-N 2 1 338.496 1.223 20 0 EDADMP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000599414464 449959869 /nfs/dbraw/zinc/95/98/69/449959869.db2.gz FAKKVEFUYWNXQR-ICSRJNTNSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000599414464 449959875 /nfs/dbraw/zinc/95/98/75/449959875.db2.gz FAKKVEFUYWNXQR-ICSRJNTNSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)C[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000599414464 449959882 /nfs/dbraw/zinc/95/98/82/449959882.db2.gz FAKKVEFUYWNXQR-ICSRJNTNSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)C[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000599414464 449959887 /nfs/dbraw/zinc/95/98/87/449959887.db2.gz FAKKVEFUYWNXQR-ICSRJNTNSA-N 2 1 346.471 1.899 20 0 EDADMP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc4[nH]c5c(c4c3)C[NH+](C)CC5)[C@@H]2C1 ZINC000615186117 449994070 /nfs/dbraw/zinc/99/40/70/449994070.db2.gz YCTYJQDAXDTUER-AUUYWEPGSA-N 2 1 338.455 1.932 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)c3ccc4[nH]c5c(c4c3)C[NH+](C)CC5)[C@@H]2C1 ZINC000615186117 449994075 /nfs/dbraw/zinc/99/40/75/449994075.db2.gz YCTYJQDAXDTUER-AUUYWEPGSA-N 2 1 338.455 1.932 20 0 EDADMP C[NH+]1C[C@H]2CCN(C(=O)c3ccc4[nH]c5c(c4c3)C[N@H+](C)CC5)[C@@H]2C1 ZINC000615186117 449994078 /nfs/dbraw/zinc/99/40/78/449994078.db2.gz YCTYJQDAXDTUER-AUUYWEPGSA-N 2 1 338.455 1.932 20 0 EDADMP C[NH+]1C[C@H]2CCN(C(=O)c3ccc4[nH]c5c(c4c3)C[N@@H+](C)CC5)[C@@H]2C1 ZINC000615186117 449994083 /nfs/dbraw/zinc/99/40/83/449994083.db2.gz YCTYJQDAXDTUER-AUUYWEPGSA-N 2 1 338.455 1.932 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)C1 ZINC000615445793 450098702 /nfs/dbraw/zinc/09/87/02/450098702.db2.gz VRHJPQPUGXQOSV-QGZVFWFLSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)C1 ZINC000615445793 450098706 /nfs/dbraw/zinc/09/87/06/450098706.db2.gz VRHJPQPUGXQOSV-QGZVFWFLSA-N 2 1 337.508 1.820 20 0 EDADMP COC(=O)C1(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCC1 ZINC000619654451 450298655 /nfs/dbraw/zinc/29/86/55/450298655.db2.gz OCHCWJWVRSVTPZ-UHFFFAOYSA-N 2 1 347.463 1.051 20 0 EDADMP C[NH+](C)C1(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000616535535 450443436 /nfs/dbraw/zinc/44/34/36/450443436.db2.gz JTDAAVJEZQPPFP-ZWKOTPCHSA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+](C)C1(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000616535535 450443441 /nfs/dbraw/zinc/44/34/41/450443441.db2.gz JTDAAVJEZQPPFP-ZWKOTPCHSA-N 2 1 343.471 1.583 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1(C)C ZINC000623375168 450508490 /nfs/dbraw/zinc/50/84/90/450508490.db2.gz AVPICWFQAOTYGO-UONOGXRCSA-N 2 1 336.432 1.617 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2F)CC1 ZINC000620636009 450522834 /nfs/dbraw/zinc/52/28/34/450522834.db2.gz BYQBBIJYTYEMPN-MRXNPFEDSA-N 2 1 348.466 1.792 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2F)CC1 ZINC000620636009 450522837 /nfs/dbraw/zinc/52/28/37/450522837.db2.gz BYQBBIJYTYEMPN-MRXNPFEDSA-N 2 1 348.466 1.792 20 0 EDADMP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1)C1CC1 ZINC000620723241 450532603 /nfs/dbraw/zinc/53/26/03/450532603.db2.gz MSANCTDYKNWHNX-LJQANCHMSA-N 2 1 344.503 1.403 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1)C1CC1 ZINC000620723241 450532605 /nfs/dbraw/zinc/53/26/05/450532605.db2.gz MSANCTDYKNWHNX-LJQANCHMSA-N 2 1 344.503 1.403 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)C1CC1 ZINC000620723241 450532607 /nfs/dbraw/zinc/53/26/07/450532607.db2.gz MSANCTDYKNWHNX-LJQANCHMSA-N 2 1 344.503 1.403 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)C1CC1 ZINC000620723241 450532610 /nfs/dbraw/zinc/53/26/10/450532610.db2.gz MSANCTDYKNWHNX-LJQANCHMSA-N 2 1 344.503 1.403 20 0 EDADMP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)[C@H]1C ZINC000620747315 450538119 /nfs/dbraw/zinc/53/81/19/450538119.db2.gz POEQFXJVNKEQNG-IYBDPMFKSA-N 2 1 340.512 1.118 20 0 EDADMP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)[C@@H]1C ZINC000620747315 450538121 /nfs/dbraw/zinc/53/81/21/450538121.db2.gz POEQFXJVNKEQNG-IYBDPMFKSA-N 2 1 340.512 1.118 20 0 EDADMP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)[C@@H]1C ZINC000620747315 450538124 /nfs/dbraw/zinc/53/81/24/450538124.db2.gz POEQFXJVNKEQNG-IYBDPMFKSA-N 2 1 340.512 1.118 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[NH2+]1 ZINC000621151831 450599496 /nfs/dbraw/zinc/59/94/96/450599496.db2.gz JITQKOGRVGWTAT-ROUUACIJSA-N 2 1 330.476 1.750 20 0 EDADMP CC1CC[NH+](CCc2cccc(Nc3nc(N)[nH+]c(N)n3)c2)CC1 ZINC000624079316 450696527 /nfs/dbraw/zinc/69/65/27/450696527.db2.gz BBFQTMDFPQIXAR-UHFFFAOYSA-N 2 1 327.436 1.137 20 0 EDADMP CCO[C@H](C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CC1 ZINC000629553713 450733783 /nfs/dbraw/zinc/73/37/83/450733783.db2.gz XCCKYYSEQDKBHQ-FUHWJXTLSA-N 2 1 347.507 1.814 20 0 EDADMP CCN(CC[NH3+])CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000629557692 450734465 /nfs/dbraw/zinc/73/44/65/450734465.db2.gz CVFXBSKWSMCKFA-UHFFFAOYSA-N 2 1 332.492 1.310 20 0 EDADMP CN1C(=O)c2ccccc2[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624187386 450738904 /nfs/dbraw/zinc/73/89/04/450738904.db2.gz WVKWCXOOIBWENI-CRAIPNDOSA-N 2 1 329.444 1.656 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)c1 ZINC000629565924 450739060 /nfs/dbraw/zinc/73/90/60/450739060.db2.gz QSNQKNKSLCFISP-DOTOQJQBSA-N 2 1 349.475 1.329 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CCC(=O)Nc1ccc(Br)cc1 ZINC000629579629 450747676 /nfs/dbraw/zinc/74/76/76/450747676.db2.gz VNCJIVCEOXDXTJ-UHFFFAOYSA-N 2 1 344.253 1.685 20 0 EDADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629584242 450750821 /nfs/dbraw/zinc/75/08/21/450750821.db2.gz MZIFGWQTKSQSOF-VQTJNVASSA-N 2 1 347.503 1.190 20 0 EDADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629584242 450750827 /nfs/dbraw/zinc/75/08/27/450750827.db2.gz MZIFGWQTKSQSOF-VQTJNVASSA-N 3 1 347.503 1.190 20 0 EDADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629584242 450750832 /nfs/dbraw/zinc/75/08/32/450750832.db2.gz MZIFGWQTKSQSOF-VQTJNVASSA-N 3 1 347.503 1.190 20 0 EDADMP c1c([C@H]2CCC[N@H+](CC3=CCCOC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000629649791 450770355 /nfs/dbraw/zinc/77/03/55/450770355.db2.gz GMHWPSMAWBXHMP-INIZCTEOSA-N 2 1 331.464 1.345 20 0 EDADMP COC1(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCC1 ZINC000629647828 450770889 /nfs/dbraw/zinc/77/08/89/450770889.db2.gz BIIIWTDEHGVGMP-JKSUJKDBSA-N 2 1 336.480 1.166 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2)CC1 ZINC000635312639 450835542 /nfs/dbraw/zinc/83/55/42/450835542.db2.gz LGSTUSQGAKVHOZ-UHFFFAOYSA-N 2 1 344.503 1.392 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)CC(C)(C)C ZINC000635337625 450861716 /nfs/dbraw/zinc/86/17/16/450861716.db2.gz KQPMEEGJASONFU-UHFFFAOYSA-N 2 1 347.507 1.428 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1)[NH+](C)C ZINC000635467235 450966731 /nfs/dbraw/zinc/96/67/31/450966731.db2.gz KHCRPIJPWUNFMD-HIFRSBDPSA-N 2 1 332.448 1.273 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000626922236 451006108 /nfs/dbraw/zinc/00/61/08/451006108.db2.gz ROFLXBKGVSUIRV-KRWDZBQOSA-N 2 1 334.464 1.138 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000626936221 451018631 /nfs/dbraw/zinc/01/86/31/451018631.db2.gz DQXLWBAHSCFTTF-SOLBZPMBSA-N 2 1 345.491 1.247 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626977409 451045934 /nfs/dbraw/zinc/04/59/34/451045934.db2.gz ZAMMSJKFIJEBCT-OLZOCXBDSA-N 2 1 338.418 1.887 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626966465 451038766 /nfs/dbraw/zinc/03/87/66/451038766.db2.gz VRAUJANPDQDGDJ-DOTOQJQBSA-N 2 1 340.512 1.517 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626966460 451039127 /nfs/dbraw/zinc/03/91/27/451039127.db2.gz VPOFINAPMYIKQO-AVGNSLFASA-N 2 1 338.418 1.885 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632122426 451052854 /nfs/dbraw/zinc/05/28/54/451052854.db2.gz UVLSDJATICFNFT-JKSUJKDBSA-N 2 1 329.510 1.218 20 0 EDADMP C[C@@H](CNC(=O)C[N@@H+](C)CCc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000635561197 451059097 /nfs/dbraw/zinc/05/90/97/451059097.db2.gz PLCWQSPAONHPPZ-SFHVURJKSA-N 2 1 346.519 1.161 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627009298 451073689 /nfs/dbraw/zinc/07/36/89/451073689.db2.gz FPDCTLJYRKLCGS-SJLPKXTDSA-N 2 1 348.491 1.432 20 0 EDADMP C[C@@H](NC(=O)NCCOCCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627009344 451073815 /nfs/dbraw/zinc/07/38/15/451073815.db2.gz GRIVMDBMKDQRNI-AEFFLSMTSA-N 2 1 348.491 1.562 20 0 EDADMP C[C@H](NC(=O)NC1(C[NH3+])CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627011836 451075897 /nfs/dbraw/zinc/07/58/97/451075897.db2.gz KZOCUBNZTXMIJT-LSDHHAIUSA-N 2 1 338.496 1.447 20 0 EDADMP CC[N@@H+](CCCNC(=O)NC[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000627109668 451127084 /nfs/dbraw/zinc/12/70/84/451127084.db2.gz ZICLXNAMVNPTEH-OAHLLOKOSA-N 2 1 326.485 1.319 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000627115431 451131411 /nfs/dbraw/zinc/13/14/11/451131411.db2.gz ASFXGKOEHHVMLO-RWMBFGLXSA-N 2 1 336.402 1.639 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000635660868 451146708 /nfs/dbraw/zinc/14/67/08/451146708.db2.gz QIXPKNZGCDYHNJ-KRWDZBQOSA-N 2 1 337.508 1.727 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000635704618 451184659 /nfs/dbraw/zinc/18/46/59/451184659.db2.gz LJAWAZWDMWZUBT-SJORKVTESA-N 2 1 348.491 1.891 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC000635725834 451200573 /nfs/dbraw/zinc/20/05/73/451200573.db2.gz YHZPIHQCBMCKDF-UHFFFAOYSA-N 2 1 337.508 1.679 20 0 EDADMP C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000635750433 451218391 /nfs/dbraw/zinc/21/83/91/451218391.db2.gz RYAYZWYOPJUXNO-IRXDYDNUSA-N 2 1 338.540 1.449 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000635757158 451221938 /nfs/dbraw/zinc/22/19/38/451221938.db2.gz POJSXGNRASXEFC-UHFFFAOYSA-N 2 1 341.496 1.058 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000638083090 451245809 /nfs/dbraw/zinc/24/58/09/451245809.db2.gz JCWBNKGUBCZWSW-NWGLXNPWSA-N 2 1 331.460 1.705 20 0 EDADMP C[C@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000638088124 451253354 /nfs/dbraw/zinc/25/33/54/451253354.db2.gz ZLAJZPTZEIMDST-DNVCBOLYSA-N 2 1 331.460 1.305 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000638098024 451262655 /nfs/dbraw/zinc/26/26/55/451262655.db2.gz CTPZRWVFFORXDI-CGTJXYLNSA-N 2 1 349.475 1.146 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000638103074 451270938 /nfs/dbraw/zinc/27/09/38/451270938.db2.gz YZCIZHDIGLDKBW-RTBURBONSA-N 2 1 344.503 1.533 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)c2cnc(C[NH3+])nc2)CC[N@H+]1Cc1ccccc1 ZINC000638104428 451271450 /nfs/dbraw/zinc/27/14/50/451271450.db2.gz ZQCGKEXMFRPGGM-RHSMWYFYSA-N 2 1 339.443 1.718 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000635827533 451276396 /nfs/dbraw/zinc/27/63/96/451276396.db2.gz ATWQMWFUUOZZNF-FUHWJXTLSA-N 2 1 330.476 1.704 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000635827533 451276400 /nfs/dbraw/zinc/27/64/00/451276400.db2.gz ATWQMWFUUOZZNF-FUHWJXTLSA-N 2 1 330.476 1.704 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635827533 451276403 /nfs/dbraw/zinc/27/64/03/451276403.db2.gz ATWQMWFUUOZZNF-FUHWJXTLSA-N 2 1 330.476 1.704 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc(C[NH3+])nc1 ZINC000638110865 451278739 /nfs/dbraw/zinc/27/87/39/451278739.db2.gz KCQOUUMPOVGRFG-INIZCTEOSA-N 2 1 339.443 1.529 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000638124876 451295236 /nfs/dbraw/zinc/29/52/36/451295236.db2.gz XJBNVNDLPJFQHT-YCXXCVGLSA-N 2 1 331.460 1.697 20 0 EDADMP C[NH+](C)CC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000635853521 451301188 /nfs/dbraw/zinc/30/11/88/451301188.db2.gz IFOHBIGWAJMMDS-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000635853549 451302313 /nfs/dbraw/zinc/30/23/13/451302313.db2.gz ISLLZVULFFAPSI-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000635853549 451302319 /nfs/dbraw/zinc/30/23/19/451302319.db2.gz ISLLZVULFFAPSI-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000635853549 451302325 /nfs/dbraw/zinc/30/23/25/451302325.db2.gz ISLLZVULFFAPSI-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640474464 451337812 /nfs/dbraw/zinc/33/78/12/451337812.db2.gz BAHBHBMNYCAMEM-ICSRJNTNSA-N 2 1 343.471 1.096 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640474464 451337816 /nfs/dbraw/zinc/33/78/16/451337816.db2.gz BAHBHBMNYCAMEM-ICSRJNTNSA-N 2 1 343.471 1.096 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640474464 451337822 /nfs/dbraw/zinc/33/78/22/451337822.db2.gz BAHBHBMNYCAMEM-ICSRJNTNSA-N 2 1 343.471 1.096 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000635868093 451316501 /nfs/dbraw/zinc/31/65/01/451316501.db2.gz WNWWHBRKROXFKY-OAHLLOKOSA-N 2 1 334.464 1.718 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000635868093 451316505 /nfs/dbraw/zinc/31/65/05/451316505.db2.gz WNWWHBRKROXFKY-OAHLLOKOSA-N 2 1 334.464 1.718 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640474464 451337826 /nfs/dbraw/zinc/33/78/26/451337826.db2.gz BAHBHBMNYCAMEM-ICSRJNTNSA-N 2 1 343.471 1.096 20 0 EDADMP [NH3+][C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)C1CC1 ZINC000638155709 451325458 /nfs/dbraw/zinc/32/54/58/451325458.db2.gz XWUQJRWFRSOQGT-OTWHNJEPSA-N 2 1 327.472 1.998 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1C ZINC000630773231 451397311 /nfs/dbraw/zinc/39/73/11/451397311.db2.gz IKFWYCTYLWSGSP-ZWKOTPCHSA-N 2 1 330.476 1.893 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(C3)CCCO4)CC2)CC1 ZINC000628791886 451418770 /nfs/dbraw/zinc/41/87/70/451418770.db2.gz RFADZERRAWMNCG-UHFFFAOYSA-N 2 1 335.492 1.574 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000638307347 451420952 /nfs/dbraw/zinc/42/09/52/451420952.db2.gz DBHZDIBQMKOJGE-DSLXNQLJSA-N 2 1 345.487 1.862 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634642133 451433797 /nfs/dbraw/zinc/43/37/97/451433797.db2.gz FLBUNVPSKUPDRN-IXDOHACOSA-N 2 1 328.497 1.237 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)nc2)CC1 ZINC000638346494 451449251 /nfs/dbraw/zinc/44/92/51/451449251.db2.gz XOJMPVKAACNJQH-UHFFFAOYSA-N 2 1 348.491 1.243 20 0 EDADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638366401 451463500 /nfs/dbraw/zinc/46/35/00/451463500.db2.gz IBKQKJBOMDPVFS-CQSZACIVSA-N 2 1 340.475 1.823 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638366401 451463504 /nfs/dbraw/zinc/46/35/04/451463504.db2.gz IBKQKJBOMDPVFS-CQSZACIVSA-N 2 1 340.475 1.823 20 0 EDADMP CO[C@@](C)(C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000638365413 451463675 /nfs/dbraw/zinc/46/36/75/451463675.db2.gz ZXMDENNUSQPXEP-FQEVSTJZSA-N 2 1 345.487 1.979 20 0 EDADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634709289 451488215 /nfs/dbraw/zinc/48/82/15/451488215.db2.gz GZMIZZIYBQBFTD-ZHALLVOQSA-N 2 1 331.460 1.128 20 0 EDADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709289 451488221 /nfs/dbraw/zinc/48/82/21/451488221.db2.gz GZMIZZIYBQBFTD-ZHALLVOQSA-N 2 1 331.460 1.128 20 0 EDADMP O[C@@]1(C[NH2+][C@H]2CCn3ccnc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634711954 451491621 /nfs/dbraw/zinc/49/16/21/451491621.db2.gz XCNXAHQPTCHOBI-PKOBYXMFSA-N 2 1 326.444 1.425 20 0 EDADMP O[C@@]1(C[NH2+][C@H]2CCn3ccnc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711954 451491625 /nfs/dbraw/zinc/49/16/25/451491625.db2.gz XCNXAHQPTCHOBI-PKOBYXMFSA-N 2 1 326.444 1.425 20 0 EDADMP OCC[N@H+]1CCCC[C@H]1CNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634721009 451501755 /nfs/dbraw/zinc/50/17/55/451501755.db2.gz SJZPVOJYPKUVHB-VQTJNVASSA-N 2 1 347.503 1.060 20 0 EDADMP OCC[NH+]1CCCC[C@H]1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721009 451501759 /nfs/dbraw/zinc/50/17/59/451501759.db2.gz SJZPVOJYPKUVHB-VQTJNVASSA-N 2 1 347.503 1.060 20 0 EDADMP OCC[NH+]1CCCC[C@H]1CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721009 451501763 /nfs/dbraw/zinc/50/17/63/451501763.db2.gz SJZPVOJYPKUVHB-VQTJNVASSA-N 2 1 347.503 1.060 20 0 EDADMP CCN(Cc1ccccc1)C(=O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638434989 451513490 /nfs/dbraw/zinc/51/34/90/451513490.db2.gz QKASSHXBDDYNCM-UHFFFAOYSA-N 2 1 347.503 1.860 20 0 EDADMP Cc1cccc(C[N@@H+]2CC[C@H](NS(=O)(=O)CCC[NH+](C)C)C2)c1 ZINC000632678506 451515262 /nfs/dbraw/zinc/51/52/62/451515262.db2.gz IEFDTWBMOMWISM-KRWDZBQOSA-N 2 1 339.505 1.440 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CC[N@H+]1C ZINC000632819319 451597582 /nfs/dbraw/zinc/59/75/82/451597582.db2.gz WVARCZWXTGUSGQ-LSDHHAIUSA-N 2 1 332.448 1.469 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000638621835 451615557 /nfs/dbraw/zinc/61/55/57/451615557.db2.gz YXQQLYWGHJEKIX-QGZVFWFLSA-N 3 1 327.513 1.048 20 0 EDADMP CC(C)(O)CN1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000638621835 451615561 /nfs/dbraw/zinc/61/55/61/451615561.db2.gz YXQQLYWGHJEKIX-QGZVFWFLSA-N 2 1 327.513 1.048 20 0 EDADMP CC(C)(O)CN1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000638621835 451615567 /nfs/dbraw/zinc/61/55/67/451615567.db2.gz YXQQLYWGHJEKIX-QGZVFWFLSA-N 2 1 327.513 1.048 20 0 EDADMP COc1ccc([C@H](CCO)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638836788 451706024 /nfs/dbraw/zinc/70/60/24/451706024.db2.gz UGXLNPASAGWXCX-SFHVURJKSA-N 2 1 336.476 1.944 20 0 EDADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000637138557 451738645 /nfs/dbraw/zinc/73/86/45/451738645.db2.gz QLGAKEUYQLRYTD-XYJFISCASA-N 2 1 348.491 1.352 20 0 EDADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000637138554 451738986 /nfs/dbraw/zinc/73/89/86/451738986.db2.gz QLGAKEUYQLRYTD-NUJGCVRESA-N 2 1 348.491 1.352 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000641070253 451744956 /nfs/dbraw/zinc/74/49/56/451744956.db2.gz BKCOTIOCZHSBEP-SFHVURJKSA-N 2 1 330.476 1.964 20 0 EDADMP C[C@@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)C1CC[NH2+]CC1 ZINC000638986898 451746997 /nfs/dbraw/zinc/74/69/97/451746997.db2.gz GXSIMYRKAZHGGU-AWEZNQCLSA-N 2 1 331.464 1.456 20 0 EDADMP C[NH+](C)[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccccc1 ZINC000638986683 451747303 /nfs/dbraw/zinc/74/73/03/451747303.db2.gz XQQMGIPEWREHOI-SFHVURJKSA-N 2 1 339.443 1.733 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cnc4ccccc4c3)nn2)CC1 ZINC000641117617 451754234 /nfs/dbraw/zinc/75/42/34/451754234.db2.gz WPUZMPAZCVTXSY-UHFFFAOYSA-N 2 1 336.443 1.840 20 0 EDADMP CC[NH2+]Cc1ccn(Cc2cn(C[C@H]3CCCC[N@H+]3C(C)C)nn2)n1 ZINC000641167797 451767909 /nfs/dbraw/zinc/76/79/09/451767909.db2.gz ZAZMICCEXWATEL-GOSISDBHSA-N 2 1 345.495 1.895 20 0 EDADMP C[N@H+](C[C@@H](O)Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1)C1CC1 ZINC000641220902 451787002 /nfs/dbraw/zinc/78/70/02/451787002.db2.gz CWODXFZIZFGIDD-IEBWSBKVSA-N 2 1 341.459 1.510 20 0 EDADMP C[N@@H+](C[C@@H](O)Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1)C1CC1 ZINC000641220902 451787005 /nfs/dbraw/zinc/78/70/05/451787005.db2.gz CWODXFZIZFGIDD-IEBWSBKVSA-N 2 1 341.459 1.510 20 0 EDADMP Cn1cc(CCC[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000639307733 451817836 /nfs/dbraw/zinc/81/78/36/451817836.db2.gz GIHRVXNCXBVUHX-LJQANCHMSA-N 2 1 328.460 1.709 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCO1 ZINC000646839378 451877938 /nfs/dbraw/zinc/87/79/38/451877938.db2.gz BCMIEJOOMVBNTP-RRQGHBQHSA-N 2 1 335.423 1.365 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCO1 ZINC000646839378 451877941 /nfs/dbraw/zinc/87/79/41/451877941.db2.gz BCMIEJOOMVBNTP-RRQGHBQHSA-N 2 1 335.423 1.365 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000639473490 451884969 /nfs/dbraw/zinc/88/49/69/451884969.db2.gz KAOMBKGWIXUPNH-KRWDZBQOSA-N 2 1 328.497 1.331 20 0 EDADMP O=C(N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000649278951 451949712 /nfs/dbraw/zinc/94/97/12/451949712.db2.gz ORFJCYZAFAYUPO-ICSRJNTNSA-N 2 1 343.471 1.241 20 0 EDADMP O=C(N1CC[NH+](C[C@H]2CCCO2)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000649278953 451949768 /nfs/dbraw/zinc/94/97/68/451949768.db2.gz ORFJCYZAFAYUPO-UYAOXDASSA-N 2 1 343.471 1.241 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000653415340 451927741 /nfs/dbraw/zinc/92/77/41/451927741.db2.gz WIBAJLSWIXJMIO-MRXNPFEDSA-N 2 1 342.447 1.753 20 0 EDADMP CC1(C)C[NH2+]CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000649273429 451944757 /nfs/dbraw/zinc/94/47/57/451944757.db2.gz JRLAWQUODHPVMM-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cnn1C ZINC000649292847 451969063 /nfs/dbraw/zinc/96/90/63/451969063.db2.gz GOJSHPJHDZLEOI-DTDBQYNISA-N 2 1 347.507 1.411 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649308866 451986461 /nfs/dbraw/zinc/98/64/61/451986461.db2.gz DIKZHSNGLDTSBC-CABCVRRESA-N 2 1 337.489 1.312 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000649308754 451986873 /nfs/dbraw/zinc/98/68/73/451986873.db2.gz ZECVDXHUBKEMGH-HOTGVXAUSA-N 2 1 344.459 1.530 20 0 EDADMP C[N@H+]1CC[C@](N)(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000649310952 451987529 /nfs/dbraw/zinc/98/75/29/451987529.db2.gz PLAYUWOQFMMJQG-HXUWFJFHSA-N 2 1 344.503 1.712 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000649329708 452010606 /nfs/dbraw/zinc/01/06/06/452010606.db2.gz CPPXAGCQLRLCQH-QRQLOZEOSA-N 2 1 345.487 1.734 20 0 EDADMP C[N@H+]1CC[C@](N)(C(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000649341010 452021360 /nfs/dbraw/zinc/02/13/60/452021360.db2.gz HHGAMUDHJREITQ-UKPHBRMFSA-N 2 1 336.505 1.280 20 0 EDADMP C[NH+]1CC[C@](N)(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000649341010 452021369 /nfs/dbraw/zinc/02/13/69/452021369.db2.gz HHGAMUDHJREITQ-UKPHBRMFSA-N 2 1 336.505 1.280 20 0 EDADMP C[NH+]1CC[C@](N)(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000649341010 452021377 /nfs/dbraw/zinc/02/13/77/452021377.db2.gz HHGAMUDHJREITQ-UKPHBRMFSA-N 2 1 336.505 1.280 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(N)CC[NH+](C)C1 ZINC000649345413 452025951 /nfs/dbraw/zinc/02/59/51/452025951.db2.gz ZNPKJQKNNMBQKA-QUCCMNQESA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@]1(N)CC[N@H+](C)C1 ZINC000649345413 452025957 /nfs/dbraw/zinc/02/59/57/452025957.db2.gz ZNPKJQKNNMBQKA-QUCCMNQESA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@]1(N)CC[N@@H+](C)C1 ZINC000649345413 452025965 /nfs/dbraw/zinc/02/59/65/452025965.db2.gz ZNPKJQKNNMBQKA-QUCCMNQESA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1([NH3+])CCN(C)C1 ZINC000649345413 452025970 /nfs/dbraw/zinc/02/59/70/452025970.db2.gz ZNPKJQKNNMBQKA-QUCCMNQESA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1([NH3+])CCN(C)C1 ZINC000649345413 452025976 /nfs/dbraw/zinc/02/59/76/452025976.db2.gz ZNPKJQKNNMBQKA-QUCCMNQESA-N 2 1 344.503 1.390 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@]3(N)CC[NH+](C)C3)cc2)C1 ZINC000649345710 452026097 /nfs/dbraw/zinc/02/60/97/452026097.db2.gz LSBROGBIBFNFSJ-HNAYVOBHSA-N 2 1 346.475 1.379 20 0 EDADMP C[C@H]1CC[NH+](CCOc2ccc(NC(=O)[C@@]3(N)CC[N@H+](C)C3)cc2)C1 ZINC000649345710 452026104 /nfs/dbraw/zinc/02/61/04/452026104.db2.gz LSBROGBIBFNFSJ-HNAYVOBHSA-N 2 1 346.475 1.379 20 0 EDADMP C[C@H]1CC[NH+](CCOc2ccc(NC(=O)[C@@]3(N)CC[N@@H+](C)C3)cc2)C1 ZINC000649345710 452026110 /nfs/dbraw/zinc/02/61/10/452026110.db2.gz LSBROGBIBFNFSJ-HNAYVOBHSA-N 2 1 346.475 1.379 20 0 EDADMP COC[C@@]1(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000649350206 452033880 /nfs/dbraw/zinc/03/38/80/452033880.db2.gz OVRYXOJFAJKIDH-LJQANCHMSA-N 2 1 346.475 1.141 20 0 EDADMP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C1CC[NH2+]CC1 ZINC000649351558 452035253 /nfs/dbraw/zinc/03/52/53/452035253.db2.gz AUBUIHUEVIVNOC-HNNXBMFYSA-N 3 1 345.491 1.798 20 0 EDADMP CNC(=O)c1cc(O[C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000639701765 452037245 /nfs/dbraw/zinc/03/72/45/452037245.db2.gz JUTBHCFUAXKOFJ-WBVHZDCISA-N 2 1 346.475 1.769 20 0 EDADMP CNC(=O)c1cc(O[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000639701765 452037253 /nfs/dbraw/zinc/03/72/53/452037253.db2.gz JUTBHCFUAXKOFJ-WBVHZDCISA-N 2 1 346.475 1.769 20 0 EDADMP CNC(=O)c1cc(O[C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)ccn1 ZINC000639701765 452037257 /nfs/dbraw/zinc/03/72/57/452037257.db2.gz JUTBHCFUAXKOFJ-WBVHZDCISA-N 2 1 346.475 1.769 20 0 EDADMP CNC(=O)c1cc(O[C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC000639701765 452037261 /nfs/dbraw/zinc/03/72/61/452037261.db2.gz JUTBHCFUAXKOFJ-WBVHZDCISA-N 2 1 346.475 1.769 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643205143 452068563 /nfs/dbraw/zinc/06/85/63/452068563.db2.gz YOVIIHMCVQCKBA-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643205143 452068569 /nfs/dbraw/zinc/06/85/69/452068569.db2.gz YOVIIHMCVQCKBA-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@]1(O)CCC[N@@H+](Cc2cncc(C[NH+]3CCC[C@](C)(O)C3)c2)C1 ZINC000649404984 452070441 /nfs/dbraw/zinc/07/04/41/452070441.db2.gz YIXFALUIVJETJJ-KDURUIRLSA-N 2 1 333.476 1.775 20 0 EDADMP C[C@@]1(O)CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@](C)(O)C3)c2)C1 ZINC000649404984 452070443 /nfs/dbraw/zinc/07/04/43/452070443.db2.gz YIXFALUIVJETJJ-KDURUIRLSA-N 2 1 333.476 1.775 20 0 EDADMP C[C@@]1(O)CCC[NH+](Cc2cncc(C[N@H+]3CCC[C@](C)(O)C3)c2)C1 ZINC000649404984 452070449 /nfs/dbraw/zinc/07/04/49/452070449.db2.gz YIXFALUIVJETJJ-KDURUIRLSA-N 2 1 333.476 1.775 20 0 EDADMP [NH3+]C1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000637797917 452087624 /nfs/dbraw/zinc/08/76/24/452087624.db2.gz HPBLFVBVLJWCGG-UHFFFAOYSA-N 3 1 330.476 1.320 20 0 EDADMP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000637824389 452102147 /nfs/dbraw/zinc/10/21/47/452102147.db2.gz ZACDHVAVBYTPQG-YTQUADARSA-N 2 1 327.472 1.952 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000639766060 452107252 /nfs/dbraw/zinc/10/72/52/452107252.db2.gz LMGZOMSRSYGQTJ-HXUWFJFHSA-N 2 1 345.487 1.350 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000639766056 452107484 /nfs/dbraw/zinc/10/74/84/452107484.db2.gz LMGZOMSRSYGQTJ-FQEVSTJZSA-N 2 1 345.487 1.350 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000637834940 452108233 /nfs/dbraw/zinc/10/82/33/452108233.db2.gz BWWJBPINMYTZQG-GBESFXJTSA-N 2 1 327.472 1.965 20 0 EDADMP O[C@@]1(C[N@@H+]2CCC[C@](O)(C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639813668 452148711 /nfs/dbraw/zinc/14/87/11/452148711.db2.gz JFUKXJAIACLBTJ-VQTJNVASSA-N 2 1 330.472 1.860 20 0 EDADMP O[C@@]1(C[N@H+]2CCC[C@](O)(C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639813668 452148716 /nfs/dbraw/zinc/14/87/16/452148716.db2.gz JFUKXJAIACLBTJ-VQTJNVASSA-N 2 1 330.472 1.860 20 0 EDADMP O[C@@]1(C[NH+]2CCC[C@](O)(C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639813668 452148723 /nfs/dbraw/zinc/14/87/23/452148723.db2.gz JFUKXJAIACLBTJ-VQTJNVASSA-N 2 1 330.472 1.860 20 0 EDADMP O[C@@]1(C[NH+]2CCC[C@](O)(C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639813668 452148731 /nfs/dbraw/zinc/14/87/31/452148731.db2.gz JFUKXJAIACLBTJ-VQTJNVASSA-N 2 1 330.472 1.860 20 0 EDADMP CCCN(C(=O)NCCCNc1ccc(C)c[nH+]1)[C@@H]1CC[N@H+](C)C1 ZINC000645168075 452190001 /nfs/dbraw/zinc/19/00/01/452190001.db2.gz GPJYJZYWQHUQDF-MRXNPFEDSA-N 2 1 333.480 2.318 20 0 EDADMP CCCN(C(=O)NCCCNc1ccc(C)c[nH+]1)[C@@H]1CC[N@@H+](C)C1 ZINC000645168075 452190006 /nfs/dbraw/zinc/19/00/06/452190006.db2.gz GPJYJZYWQHUQDF-MRXNPFEDSA-N 2 1 333.480 2.318 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCC[C@H]3[NH3+])c2)C1 ZINC000643462709 452234980 /nfs/dbraw/zinc/23/49/80/452234980.db2.gz HOQXNVVIZPJIIB-KZNAEPCWSA-N 2 1 330.476 1.353 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])c2)C1 ZINC000643462709 452234988 /nfs/dbraw/zinc/23/49/88/452234988.db2.gz HOQXNVVIZPJIIB-KZNAEPCWSA-N 3 1 330.476 1.353 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])c2)C1 ZINC000643462709 452234996 /nfs/dbraw/zinc/23/49/96/452234996.db2.gz HOQXNVVIZPJIIB-KZNAEPCWSA-N 3 1 330.476 1.353 20 0 EDADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000643472129 452237965 /nfs/dbraw/zinc/23/79/65/452237965.db2.gz UICLFQPWQCAHBM-JCGIZDLHSA-N 2 1 328.460 1.801 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCN(CCN3CCOCC3)C2)CC1(C)C ZINC000641787903 452262484 /nfs/dbraw/zinc/26/24/84/452262484.db2.gz WHTPSDUSVLHXFR-MSOLQXFVSA-N 2 1 338.540 1.245 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659438432 452286681 /nfs/dbraw/zinc/28/66/81/452286681.db2.gz XAPYCGWWPNZRDR-KRWDZBQOSA-N 2 1 340.512 1.376 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC3CC2(C[NH3+])C3)cc1F ZINC000659443374 452290615 /nfs/dbraw/zinc/29/06/15/452290615.db2.gz QRMGVKOHTWLOPZ-UHFFFAOYSA-N 2 1 343.406 1.953 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N(C)CC(C)(C)[NH3+])c2)CCO1 ZINC000659441802 452290859 /nfs/dbraw/zinc/29/08/59/452290859.db2.gz AKQLJRRDCOLXFH-HNNXBMFYSA-N 2 1 348.491 1.786 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N(C)CC(C)(C)[NH3+])c2)CCO1 ZINC000659441802 452290866 /nfs/dbraw/zinc/29/08/66/452290866.db2.gz AKQLJRRDCOLXFH-HNNXBMFYSA-N 2 1 348.491 1.786 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000659455806 452307661 /nfs/dbraw/zinc/30/76/61/452307661.db2.gz DKFFIGGBYHPLLV-BBWFWOEESA-N 2 1 342.528 1.796 20 0 EDADMP C[C@@H](c1ccc(NC(=O)N[C@@]2(C)CC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000663586624 452312702 /nfs/dbraw/zinc/31/27/02/452312702.db2.gz PINYVEOGEAAXPO-KSSFIOAISA-N 2 1 332.448 1.953 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000638050475 452321016 /nfs/dbraw/zinc/32/10/16/452321016.db2.gz OMXJYOSZXBOTNF-LJQANCHMSA-N 2 1 346.519 1.828 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000638050475 452321020 /nfs/dbraw/zinc/32/10/20/452321020.db2.gz OMXJYOSZXBOTNF-LJQANCHMSA-N 2 1 346.519 1.828 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NCC[C@@H]([NH3+])C(C)C)CC2)nc(C)[nH+]1 ZINC000659466810 452321497 /nfs/dbraw/zinc/32/14/97/452321497.db2.gz RYOFHIVQAWRLCR-MRXNPFEDSA-N 2 1 348.495 1.735 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CC3CC2(C[NH3+])C3)C[N@H+]1Cc1ccccc1 ZINC000659468537 452325825 /nfs/dbraw/zinc/32/58/25/452325825.db2.gz BPPYFTXTYMLLLZ-WAZRQNRBSA-N 2 1 328.460 1.782 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000659468627 452326493 /nfs/dbraw/zinc/32/64/93/452326493.db2.gz BZQQHNBGLBYOQX-XLNGHYISSA-N 2 1 334.439 1.730 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1(CO)CCCC1 ZINC000665760556 452331943 /nfs/dbraw/zinc/33/19/43/452331943.db2.gz KEZLWERVCXZKFL-HNNXBMFYSA-N 2 1 328.501 1.110 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1(CO)CCCC1 ZINC000665760556 452331948 /nfs/dbraw/zinc/33/19/48/452331948.db2.gz KEZLWERVCXZKFL-HNNXBMFYSA-N 2 1 328.501 1.110 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000659481447 452340678 /nfs/dbraw/zinc/34/06/78/452340678.db2.gz YXJPOXGVHAOHHZ-QZTJIDSGSA-N 2 1 348.491 1.426 20 0 EDADMP CC1CC[NH+](CCCNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638056191 452341133 /nfs/dbraw/zinc/34/11/33/452341133.db2.gz WXHUPEDZTUAWAP-IBGZPJMESA-N 2 1 346.519 1.684 20 0 EDADMP CC1CC[NH+](CCCNC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638056191 452341140 /nfs/dbraw/zinc/34/11/40/452341140.db2.gz WXHUPEDZTUAWAP-IBGZPJMESA-N 2 1 346.519 1.684 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)C1 ZINC000652152488 452344626 /nfs/dbraw/zinc/34/46/26/452344626.db2.gz ORCIITIYCTTWJI-ANQUJSFKSA-N 2 1 336.480 1.151 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)c2C1 ZINC000663613522 452345354 /nfs/dbraw/zinc/34/53/54/452345354.db2.gz GBGGQEIIGDBFKU-SFHVURJKSA-N 2 1 330.432 1.219 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)c2C1 ZINC000663613522 452345356 /nfs/dbraw/zinc/34/53/56/452345356.db2.gz GBGGQEIIGDBFKU-SFHVURJKSA-N 2 1 330.432 1.219 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@H](C2CCC2)C1 ZINC000665763801 452349296 /nfs/dbraw/zinc/34/92/96/452349296.db2.gz MGGOKDPIFIOAKW-RDJZCZTQSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@H](C2CCC2)C1 ZINC000665763801 452349309 /nfs/dbraw/zinc/34/93/09/452349309.db2.gz MGGOKDPIFIOAKW-RDJZCZTQSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CN1C1CC1 ZINC000657593998 452359070 /nfs/dbraw/zinc/35/90/70/452359070.db2.gz GDVBSOZNNPKNRZ-MOXGXCLJSA-N 2 1 329.488 1.968 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000659513909 452378181 /nfs/dbraw/zinc/37/81/81/452378181.db2.gz MCMHCZUWNHYDDJ-WMZOPIPTSA-N 2 1 346.475 1.052 20 0 EDADMP [NH3+]C[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCOC1 ZINC000638071108 452378407 /nfs/dbraw/zinc/37/84/07/452378407.db2.gz FFLYSWQCOLVFTO-PKOBYXMFSA-N 2 1 331.460 1.523 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000659515126 452380931 /nfs/dbraw/zinc/38/09/31/452380931.db2.gz AWCBMHLTISXBTP-IAGOWNOFSA-N 2 1 334.464 1.036 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000655680957 452506500 /nfs/dbraw/zinc/50/65/00/452506500.db2.gz QSVPRIAZUOAZDW-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1CN(C(C)(C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000655695528 452517104 /nfs/dbraw/zinc/51/71/04/452517104.db2.gz MEIUJWYDLGYBPE-NUJGCVRESA-N 2 1 339.524 1.717 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)N3CCc4ccccc43)C2)C1 ZINC000652345493 452520492 /nfs/dbraw/zinc/52/04/92/452520492.db2.gz CONZGAVRXOARGQ-LMMKCTJWSA-N 2 1 343.471 1.794 20 0 EDADMP O[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000647792961 452524667 /nfs/dbraw/zinc/52/46/67/452524667.db2.gz GMMHBLVMTIPEPX-NMLBUPMWSA-N 3 1 329.488 1.601 20 0 EDADMP O[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000647792961 452524671 /nfs/dbraw/zinc/52/46/71/452524671.db2.gz GMMHBLVMTIPEPX-NMLBUPMWSA-N 3 1 329.488 1.601 20 0 EDADMP CC(=O)Nc1nc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000652348828 452524723 /nfs/dbraw/zinc/52/47/23/452524723.db2.gz SRANUOKOLBBJOU-GZBFAFLISA-N 2 1 338.477 1.820 20 0 EDADMP CC(=O)Nc1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000652348828 452524733 /nfs/dbraw/zinc/52/47/33/452524733.db2.gz SRANUOKOLBBJOU-GZBFAFLISA-N 2 1 338.477 1.820 20 0 EDADMP CS(=O)(=O)CC1(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652350086 452524955 /nfs/dbraw/zinc/52/49/55/452524955.db2.gz FIUHTNMUZJNDEA-SOUVJXGZSA-N 2 1 330.494 1.030 20 0 EDADMP COc1ccc(C[C@H]2CCCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000652358415 452539018 /nfs/dbraw/zinc/53/90/18/452539018.db2.gz BHYPOLZDZBMAPR-GOSISDBHSA-N 2 1 345.487 1.914 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000647835091 452569095 /nfs/dbraw/zinc/56/90/95/452569095.db2.gz MMQFOMQRDDETTI-GJZGRUSLSA-N 2 1 336.455 1.228 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000647835091 452569107 /nfs/dbraw/zinc/56/91/07/452569107.db2.gz MMQFOMQRDDETTI-GJZGRUSLSA-N 2 1 336.455 1.228 20 0 EDADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c(C)c1 ZINC000647834951 452571057 /nfs/dbraw/zinc/57/10/57/452571057.db2.gz GWLCGYCWXSRFTE-QGZVFWFLSA-N 2 1 332.492 1.776 20 0 EDADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c(C)c1 ZINC000647834951 452571061 /nfs/dbraw/zinc/57/10/61/452571061.db2.gz GWLCGYCWXSRFTE-QGZVFWFLSA-N 2 1 332.492 1.776 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000647836002 452572766 /nfs/dbraw/zinc/57/27/66/452572766.db2.gz YCUHBVYSTJZDSB-MRXNPFEDSA-N 2 1 336.867 1.282 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000647836002 452572774 /nfs/dbraw/zinc/57/27/74/452572774.db2.gz YCUHBVYSTJZDSB-MRXNPFEDSA-N 2 1 336.867 1.282 20 0 EDADMP Cn1nnc2c1CC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000655831511 452601135 /nfs/dbraw/zinc/60/11/35/452601135.db2.gz JUIAHUXYSYJLOD-KRWDZBQOSA-N 2 1 325.460 1.927 20 0 EDADMP Cc1cc(CO)cc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)[nH+]1 ZINC000647878159 452618005 /nfs/dbraw/zinc/61/80/05/452618005.db2.gz RJADGRKRYWRRIJ-LJQANCHMSA-N 2 1 341.455 2.451 20 0 EDADMP Cc1cc(CO)cc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)[nH+]1 ZINC000647878159 452618011 /nfs/dbraw/zinc/61/80/11/452618011.db2.gz RJADGRKRYWRRIJ-LJQANCHMSA-N 2 1 341.455 2.451 20 0 EDADMP CC1(O)CCN(c2cc(NC[C@H]3CCC[N@H+]3CCCO)ncn2)CC1 ZINC000663948619 452666559 /nfs/dbraw/zinc/66/65/59/452666559.db2.gz BCGGNVXWSGTPNM-OAHLLOKOSA-N 2 1 349.479 1.087 20 0 EDADMP CCn1ccnc1[C@@H](C)NC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583237 452668493 /nfs/dbraw/zinc/66/84/93/452668493.db2.gz LCKGMSWZOXUCTR-APIJFGDWSA-N 2 1 337.468 1.761 20 0 EDADMP CCn1ccnc1[C@@H](C)NC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583237 452668501 /nfs/dbraw/zinc/66/85/01/452668501.db2.gz LCKGMSWZOXUCTR-APIJFGDWSA-N 2 1 337.468 1.761 20 0 EDADMP C[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654589272 452674109 /nfs/dbraw/zinc/67/41/09/452674109.db2.gz HNBOXHBGVMOSIS-SOUVJXGZSA-N 2 1 345.447 1.631 20 0 EDADMP C[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654589272 452674118 /nfs/dbraw/zinc/67/41/18/452674118.db2.gz HNBOXHBGVMOSIS-SOUVJXGZSA-N 2 1 345.447 1.631 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000655916735 452677622 /nfs/dbraw/zinc/67/76/22/452677622.db2.gz HKAAEWREMXLEOA-DGCLKSJQSA-N 2 1 332.370 1.696 20 0 EDADMP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000647962840 452706995 /nfs/dbraw/zinc/70/69/95/452706995.db2.gz WEZBLFBITVQTTQ-AEFFLSMTSA-N 2 1 335.492 1.686 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000647962840 452706998 /nfs/dbraw/zinc/70/69/98/452706998.db2.gz WEZBLFBITVQTTQ-AEFFLSMTSA-N 2 1 335.492 1.686 20 0 EDADMP C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1nccn1C ZINC000666241471 452711696 /nfs/dbraw/zinc/71/16/96/452711696.db2.gz LWCRJZYSELZPDW-LLVKDONJSA-N 2 1 344.419 1.463 20 0 EDADMP C[C@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654648447 452738759 /nfs/dbraw/zinc/73/87/59/452738759.db2.gz YDPYDQMFWWKCFT-OAGGEKHMSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654648447 452738770 /nfs/dbraw/zinc/73/87/70/452738770.db2.gz YDPYDQMFWWKCFT-OAGGEKHMSA-N 2 1 340.512 1.467 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655959573 452741264 /nfs/dbraw/zinc/74/12/64/452741264.db2.gz UUFRTINCQNIFEY-DLBZAZTESA-N 2 1 344.459 1.478 20 0 EDADMP COC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCOCC1 ZINC000658140757 452748839 /nfs/dbraw/zinc/74/88/39/452748839.db2.gz VBVSGJQEEAMQLK-PMACEKPBSA-N 2 1 348.487 1.784 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655975318 452756213 /nfs/dbraw/zinc/75/62/13/452756213.db2.gz NPAFKIFLSAHCRY-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655975314 452756898 /nfs/dbraw/zinc/75/68/98/452756898.db2.gz NPAFKIFLSAHCRY-IAGOWNOFSA-N 2 1 338.496 1.413 20 0 EDADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000655975807 452759267 /nfs/dbraw/zinc/75/92/67/452759267.db2.gz XBRSOOODSLZZOI-FGTMMUONSA-N 2 1 343.475 1.754 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000655975807 452759274 /nfs/dbraw/zinc/75/92/74/452759274.db2.gz XBRSOOODSLZZOI-FGTMMUONSA-N 2 1 343.475 1.754 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000652625051 452784105 /nfs/dbraw/zinc/78/41/05/452784105.db2.gz UUPCUQNQGWLWCE-UHFFFAOYSA-N 2 1 332.448 1.322 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)CC[N@H+]1C ZINC000658288933 452831599 /nfs/dbraw/zinc/83/15/99/452831599.db2.gz HRFDUUUJEXWEQY-RLLQIKCJSA-N 2 1 347.503 1.322 20 0 EDADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000654726532 452840917 /nfs/dbraw/zinc/84/09/17/452840917.db2.gz ULTXGCQYAOGOKL-ZWKOTPCHSA-N 2 1 343.475 1.930 20 0 EDADMP CC(C)([NH3+])CCC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000648149064 452861433 /nfs/dbraw/zinc/86/14/33/452861433.db2.gz GPLSSVDDDGXMPI-UHFFFAOYSA-N 2 1 348.491 1.650 20 0 EDADMP Cc1ccccc1NC(=O)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152937 452889388 /nfs/dbraw/zinc/88/93/88/452889388.db2.gz JSYVQFROFXZELD-QGZVFWFLSA-N 2 1 331.460 1.855 20 0 EDADMP Cc1ccccc1NC(=O)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152937 452889393 /nfs/dbraw/zinc/88/93/93/452889393.db2.gz JSYVQFROFXZELD-QGZVFWFLSA-N 2 1 331.460 1.855 20 0 EDADMP Cc1cnc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000664228952 452905794 /nfs/dbraw/zinc/90/57/94/452905794.db2.gz TWARBWWPVDPZRI-LBPRGKRZSA-N 2 1 327.498 1.523 20 0 EDADMP Cc1cnc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000664228952 452905802 /nfs/dbraw/zinc/90/58/02/452905802.db2.gz TWARBWWPVDPZRI-LBPRGKRZSA-N 2 1 327.498 1.523 20 0 EDADMP CO[C@@H](C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CCCCC1 ZINC000660014128 452922380 /nfs/dbraw/zinc/92/23/80/452922380.db2.gz VHZPETDPLWQDTR-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CO[C@@H](C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CCCCC1 ZINC000660014128 452922390 /nfs/dbraw/zinc/92/23/90/452922390.db2.gz VHZPETDPLWQDTR-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709228 452946158 /nfs/dbraw/zinc/94/61/58/452946158.db2.gz LBHVHOMEFFUFRG-YJBOKZPZSA-N 2 1 333.480 1.126 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709228 452946166 /nfs/dbraw/zinc/94/61/66/452946166.db2.gz LBHVHOMEFFUFRG-YJBOKZPZSA-N 2 1 333.480 1.126 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)COCC[NH3+])CC2)cs1 ZINC000645965486 452947751 /nfs/dbraw/zinc/94/77/51/452947751.db2.gz CHRUKALWDFGQCK-UHFFFAOYSA-N 2 1 340.493 1.009 20 0 EDADMP C[C@@H](CCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000664293480 452971067 /nfs/dbraw/zinc/97/10/67/452971067.db2.gz YUOWJRURQDUEJF-SZMVWBNQSA-N 2 1 348.491 1.213 20 0 EDADMP c1ccc(OCCN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662257282 452986020 /nfs/dbraw/zinc/98/60/20/452986020.db2.gz CIGARJVNPZPGBG-SFHVURJKSA-N 2 1 331.460 1.204 20 0 EDADMP c1ccc(OCC[NH+]2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662257282 452986027 /nfs/dbraw/zinc/98/60/27/452986027.db2.gz CIGARJVNPZPGBG-SFHVURJKSA-N 2 1 331.460 1.204 20 0 EDADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000662256194 452986493 /nfs/dbraw/zinc/98/64/93/452986493.db2.gz UDGOIXSYTGGZEA-DLBZAZTESA-N 2 1 329.444 1.635 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nc2cccnc2s1 ZINC000664315974 452989402 /nfs/dbraw/zinc/98/94/02/452989402.db2.gz XSGLRFNQJLIWRP-LBPRGKRZSA-N 2 1 335.477 1.693 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nc2cccnc2s1 ZINC000664315974 452989408 /nfs/dbraw/zinc/98/94/08/452989408.db2.gz XSGLRFNQJLIWRP-LBPRGKRZSA-N 2 1 335.477 1.693 20 0 EDADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000662276460 453001524 /nfs/dbraw/zinc/00/15/24/453001524.db2.gz JBIXPKRWDCSCFN-HOTGVXAUSA-N 2 1 345.491 1.705 20 0 EDADMP Cn1ccnc1COc1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662285940 453010283 /nfs/dbraw/zinc/01/02/83/453010283.db2.gz BCYHQRGNUUNZDK-UHFFFAOYSA-N 2 1 330.432 1.203 20 0 EDADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000662299136 453020706 /nfs/dbraw/zinc/02/07/06/453020706.db2.gz ZXXJUODNHAJEML-OTWHNJEPSA-N 2 1 349.519 1.868 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666633520 453025779 /nfs/dbraw/zinc/02/57/79/453025779.db2.gz HYBZKEIOGGBPDQ-HNNXBMFYSA-N 2 1 346.475 1.712 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662325659 453044088 /nfs/dbraw/zinc/04/40/88/453044088.db2.gz OWKZWLHYLDPLAN-QZTJIDSGSA-N 2 1 348.466 1.010 20 0 EDADMP Cn1cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cn1 ZINC000662327316 453046707 /nfs/dbraw/zinc/04/67/07/453046707.db2.gz NEQJJLOHGSLFSS-UHFFFAOYSA-N 2 1 328.464 1.990 20 0 EDADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888757 453055053 /nfs/dbraw/zinc/05/50/53/453055053.db2.gz UVSVMTWIPBEGGD-LJQANCHMSA-N 2 1 343.471 1.176 20 0 EDADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888757 453055056 /nfs/dbraw/zinc/05/50/56/453055056.db2.gz UVSVMTWIPBEGGD-LJQANCHMSA-N 2 1 343.471 1.176 20 0 EDADMP CO[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@H]1CCOC1 ZINC000660128044 453055505 /nfs/dbraw/zinc/05/55/05/453055505.db2.gz SBQCUQJQFTZCAO-FSGLHJGXSA-N 2 1 337.508 1.281 20 0 EDADMP CC(=O)N1CCN(C[C@H](O)C[N@H+](C)C(C)C)CC12CCCCC2 ZINC000660152391 453085111 /nfs/dbraw/zinc/08/51/11/453085111.db2.gz AQFREPGNMOQTRE-QGZVFWFLSA-N 2 1 325.497 1.555 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000646083669 453095349 /nfs/dbraw/zinc/09/53/49/453095349.db2.gz XBXUXPOMSYCFMA-MSOLQXFVSA-N 2 1 337.508 1.964 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000666753995 453118514 /nfs/dbraw/zinc/11/85/14/453118514.db2.gz DSTMFFDKGFBRBV-INIZCTEOSA-N 2 1 340.512 1.205 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000644192003 453120994 /nfs/dbraw/zinc/12/09/94/453120994.db2.gz DLVBWBRYZMJCHY-KRWDZBQOSA-N 2 1 332.448 1.782 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000662434399 453142468 /nfs/dbraw/zinc/14/24/68/453142468.db2.gz BBGWDKMOMFOSBT-GDBMZVCRSA-N 2 1 332.448 1.320 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662459392 453168235 /nfs/dbraw/zinc/16/82/35/453168235.db2.gz YNOPTLFRZSIODC-AWEZNQCLSA-N 2 1 334.468 1.197 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000660300423 453190347 /nfs/dbraw/zinc/19/03/47/453190347.db2.gz MWYAAGGDWQFJTA-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)[C@H]1c1ccc(Cl)cc1 ZINC000662512499 453230364 /nfs/dbraw/zinc/23/03/64/453230364.db2.gz QJBHCOQRISGWRT-DZGCQCFKSA-N 2 1 348.838 1.065 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)c2cn(CC[NH3+])nn2)[C@H]1c1ccc(Cl)cc1 ZINC000662512499 453230372 /nfs/dbraw/zinc/23/03/72/453230372.db2.gz QJBHCOQRISGWRT-DZGCQCFKSA-N 2 1 348.838 1.065 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)[C@@H]1CCCCO1 ZINC000664598249 453232542 /nfs/dbraw/zinc/23/25/42/453232542.db2.gz GGHCJVYGVUDUNQ-JYJNAYRXSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)[C@@H]1CCCCO1 ZINC000664598249 453232550 /nfs/dbraw/zinc/23/25/50/453232550.db2.gz GGHCJVYGVUDUNQ-JYJNAYRXSA-N 2 1 328.501 1.515 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000648770713 453247994 /nfs/dbraw/zinc/24/79/94/453247994.db2.gz ZKYDMCQRADFLNC-HOTGVXAUSA-N 2 1 336.480 1.966 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)oc1C ZINC000648780220 453261161 /nfs/dbraw/zinc/26/11/61/453261161.db2.gz XYDNLKYREJIEBM-RHSMWYFYSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)oc1C ZINC000648780220 453261166 /nfs/dbraw/zinc/26/11/66/453261166.db2.gz XYDNLKYREJIEBM-RHSMWYFYSA-N 2 1 348.491 1.960 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000646264233 453269230 /nfs/dbraw/zinc/26/92/30/453269230.db2.gz MTDCJYLNUSGYFO-DSLXNQLJSA-N 2 1 345.487 1.780 20 0 EDADMP C[N@H+]1CC=C(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000666945885 453270006 /nfs/dbraw/zinc/27/00/06/453270006.db2.gz JYCZMNJCLCZWQW-IAGOWNOFSA-N 2 1 348.491 1.191 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000666945885 453270013 /nfs/dbraw/zinc/27/00/13/453270013.db2.gz JYCZMNJCLCZWQW-IAGOWNOFSA-N 2 1 348.491 1.191 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000646294546 453294406 /nfs/dbraw/zinc/29/44/06/453294406.db2.gz MOUBXIHWHSRIJM-KRWDZBQOSA-N 2 1 344.459 1.289 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC[NH2+]1 ZINC000662570937 453297940 /nfs/dbraw/zinc/29/79/40/453297940.db2.gz CEOQJKPVGMTRDR-LBPRGKRZSA-N 2 1 326.238 1.659 20 0 EDADMP CC1(C)CN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC[NH2+]1 ZINC000662571423 453298428 /nfs/dbraw/zinc/29/84/28/453298428.db2.gz GWZBXTOOJIEEOF-UHFFFAOYSA-N 2 1 344.278 1.938 20 0 EDADMP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000653112857 453299986 /nfs/dbraw/zinc/29/99/86/453299986.db2.gz LEGGVYNAKNUQKL-ZWKOTPCHSA-N 2 1 332.492 1.294 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653113784 453300660 /nfs/dbraw/zinc/30/06/60/453300660.db2.gz NTSFWPWRRYWMHO-DWRORGKVSA-N 2 1 335.492 1.335 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H]1c1cccs1 ZINC000653121996 453312649 /nfs/dbraw/zinc/31/26/49/453312649.db2.gz IEOYFMFVLVDGRJ-OAOQPFQOSA-N 2 1 349.500 1.483 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653122822 453315242 /nfs/dbraw/zinc/31/52/42/453315242.db2.gz FLODUXUIECZXOW-MOPGFXCFSA-N 2 1 346.519 1.636 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000653122968 453315279 /nfs/dbraw/zinc/31/52/79/453315279.db2.gz JOOXWOJPRKEIKU-AZOIQLNYSA-N 2 1 340.427 1.594 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N(C)CC(C)(C)[NH3+])cc2F)CC1 ZINC000662609674 453329297 /nfs/dbraw/zinc/32/92/97/453329297.db2.gz GJFCIDSQXPIVBM-UHFFFAOYSA-N 2 1 336.455 1.777 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662695259 453415542 /nfs/dbraw/zinc/41/55/42/453415542.db2.gz ISPBNVLNMJFGIW-QGZVFWFLSA-N 2 1 330.476 1.455 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cccc(C[NH3+])c3)C2)C1 ZINC000667167463 453449317 /nfs/dbraw/zinc/44/93/17/453449317.db2.gz MDPXRCMHGZAVHW-SFHVURJKSA-N 2 1 330.432 1.028 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)[C@@H](C)C1 ZINC000662746626 453476448 /nfs/dbraw/zinc/47/64/48/453476448.db2.gz VFMSJUJSFUNOGE-ZOBUZTSGSA-N 2 1 348.495 1.395 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664915998 453478953 /nfs/dbraw/zinc/47/89/53/453478953.db2.gz GGCSORQFPVMBPR-DLBZAZTESA-N 2 1 342.528 1.859 20 0 EDADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655867 453493974 /nfs/dbraw/zinc/49/39/74/453493974.db2.gz JHWPKTLDYWTTFL-JKSUJKDBSA-N 2 1 329.510 1.076 20 0 EDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655867 453493977 /nfs/dbraw/zinc/49/39/77/453493977.db2.gz JHWPKTLDYWTTFL-JKSUJKDBSA-N 2 1 329.510 1.076 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655867 453493984 /nfs/dbraw/zinc/49/39/84/453493984.db2.gz JHWPKTLDYWTTFL-JKSUJKDBSA-N 2 1 329.510 1.076 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655867 453493991 /nfs/dbraw/zinc/49/39/91/453493991.db2.gz JHWPKTLDYWTTFL-JKSUJKDBSA-N 2 1 329.510 1.076 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000660701346 453524716 /nfs/dbraw/zinc/52/47/16/453524716.db2.gz RBDCFKMGQHFTGG-GJZGRUSLSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660701346 453524720 /nfs/dbraw/zinc/52/47/20/453524720.db2.gz RBDCFKMGQHFTGG-GJZGRUSLSA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](CO)C3)CC2)CC1 ZINC000646650304 453540025 /nfs/dbraw/zinc/54/00/25/453540025.db2.gz RJPCIOMDSVFCTG-MRXNPFEDSA-N 2 1 337.508 1.414 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000667327978 453560895 /nfs/dbraw/zinc/56/08/95/453560895.db2.gz BGHWCHZRAUNWCF-GOSISDBHSA-N 2 1 330.476 1.997 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000667327978 453560901 /nfs/dbraw/zinc/56/09/01/453560901.db2.gz BGHWCHZRAUNWCF-GOSISDBHSA-N 2 1 330.476 1.997 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000667327978 453560906 /nfs/dbraw/zinc/56/09/06/453560906.db2.gz BGHWCHZRAUNWCF-GOSISDBHSA-N 2 1 330.476 1.997 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000667330019 453562009 /nfs/dbraw/zinc/56/20/09/453562009.db2.gz WQLJKBIDLYTOSR-MOPGFXCFSA-N 2 1 340.471 1.917 20 0 EDADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[N@@H+](C)C(C)C)cc1F ZINC000662871076 453581641 /nfs/dbraw/zinc/58/16/41/453581641.db2.gz SLKSNNYEKKTGOQ-HOCLYGCPSA-N 2 1 337.439 1.736 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662873289 453582685 /nfs/dbraw/zinc/58/26/85/453582685.db2.gz WCABDCBNTUNRRK-KURKYZTESA-N 2 1 331.460 1.126 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000662878353 453584629 /nfs/dbraw/zinc/58/46/29/453584629.db2.gz REQUVQDOAXWZMP-MRXNPFEDSA-N 2 1 345.491 1.485 20 0 EDADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000662899451 453594530 /nfs/dbraw/zinc/59/45/30/453594530.db2.gz DCVPKGWIIMWKJW-KXBFYZLASA-N 2 1 344.503 1.947 20 0 EDADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000662899451 453594534 /nfs/dbraw/zinc/59/45/34/453594534.db2.gz DCVPKGWIIMWKJW-KXBFYZLASA-N 2 1 344.503 1.947 20 0 EDADMP CN(C(=O)[C@H](C[NH3+])c1ccccc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900956 453595324 /nfs/dbraw/zinc/59/53/24/453595324.db2.gz QQUGVNRMIAGQHL-RTBURBONSA-N 2 1 344.503 1.356 20 0 EDADMP CN(C(=O)[C@H](C[NH3+])c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900956 453595327 /nfs/dbraw/zinc/59/53/27/453595327.db2.gz QQUGVNRMIAGQHL-RTBURBONSA-N 2 1 344.503 1.356 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)C2)C1 ZINC000659041916 453595881 /nfs/dbraw/zinc/59/58/81/453595881.db2.gz JVFBCRXZMMUYPE-PKOBYXMFSA-N 2 1 344.459 1.907 20 0 EDADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900928 453596262 /nfs/dbraw/zinc/59/62/62/453596262.db2.gz QFZUYFSDXXVTKA-DLBZAZTESA-N 2 1 338.540 1.638 20 0 EDADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900928 453596267 /nfs/dbraw/zinc/59/62/67/453596267.db2.gz QFZUYFSDXXVTKA-DLBZAZTESA-N 2 1 338.540 1.638 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C[C@H](C)[N@@H+]1C ZINC000659045458 453597743 /nfs/dbraw/zinc/59/77/43/453597743.db2.gz WKPNNXBYWWRQNX-JKIFEVAISA-N 2 1 332.448 1.904 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000662940164 453615831 /nfs/dbraw/zinc/61/58/31/453615831.db2.gz JYJVLOJGSYKEDA-SFHVURJKSA-N 2 1 344.503 1.580 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000662940164 453615835 /nfs/dbraw/zinc/61/58/35/453615835.db2.gz JYJVLOJGSYKEDA-SFHVURJKSA-N 2 1 344.503 1.580 20 0 EDADMP CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000665270312 453631388 /nfs/dbraw/zinc/63/13/88/453631388.db2.gz VXEFVDKPIGMPLD-BBWFWOEESA-N 2 1 342.528 1.905 20 0 EDADMP CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000665270312 453631389 /nfs/dbraw/zinc/63/13/89/453631389.db2.gz VXEFVDKPIGMPLD-BBWFWOEESA-N 2 1 342.528 1.905 20 0 EDADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291130 453638246 /nfs/dbraw/zinc/63/82/46/453638246.db2.gz VFOHNDJJAQEGQF-SNVBAGLBSA-N 2 1 349.822 1.801 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000665365530 453669216 /nfs/dbraw/zinc/66/92/16/453669216.db2.gz GHVFBWGXCVIDPR-PMPSAXMXSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000665368169 453669591 /nfs/dbraw/zinc/66/95/91/453669591.db2.gz MKEOHEUTTNIEEQ-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000665368169 453669595 /nfs/dbraw/zinc/66/95/95/453669595.db2.gz MKEOHEUTTNIEEQ-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[C@H]1C ZINC000665386680 453677554 /nfs/dbraw/zinc/67/75/54/453677554.db2.gz CYTSMPWQTOMTGI-GDBMZVCRSA-N 2 1 325.522 1.757 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2([NH3+])CC3(CCC3)C2)[C@H](C)C1 ZINC000659285309 453701020 /nfs/dbraw/zinc/70/10/20/453701020.db2.gz LWODHGVKNONGPE-CVEARBPZSA-N 2 1 337.508 1.901 20 0 EDADMP CC1(C)C[NH2+]CCN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659292392 453705199 /nfs/dbraw/zinc/70/51/99/453705199.db2.gz AZJHLOGQZQTDAG-UHFFFAOYSA-N 2 1 344.278 1.938 20 0 EDADMP CCC(C)(C)[C@H](C)[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000661233741 453768471 /nfs/dbraw/zinc/76/84/71/453768471.db2.gz IFMIRXUYZCEWOB-HOTGVXAUSA-N 2 1 327.513 1.874 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657347033 453770873 /nfs/dbraw/zinc/77/08/73/453770873.db2.gz MJBKJTAHDPTVIR-QGZVFWFLSA-N 2 1 342.491 1.631 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657350674 453772578 /nfs/dbraw/zinc/77/25/78/453772578.db2.gz WZWDKPIFUZCDKB-FQEVSTJZSA-N 2 1 347.503 1.972 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000661395747 453808623 /nfs/dbraw/zinc/80/86/23/453808623.db2.gz IROYTPRZBPYXRM-HZPDHXFCSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000661395747 453808625 /nfs/dbraw/zinc/80/86/25/453808625.db2.gz IROYTPRZBPYXRM-HZPDHXFCSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000661395747 453808628 /nfs/dbraw/zinc/80/86/28/453808628.db2.gz IROYTPRZBPYXRM-HZPDHXFCSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000164308702 486728260 /nfs/dbraw/zinc/72/82/60/486728260.db2.gz CRSVXSWANJTKGV-MSOLQXFVSA-N 2 1 333.476 1.940 20 0 EDADMP C[C@@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)[C@H]1C[NH+](C)CCO1 ZINC000683574478 486760380 /nfs/dbraw/zinc/76/03/80/486760380.db2.gz QKOIHYLRIAVMEP-HUUCEWRRSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](NC(=O)NCC[N@H+]1CCCC(C)(C)C1)[C@H]1C[NH+](C)CCO1 ZINC000683574478 486760385 /nfs/dbraw/zinc/76/03/85/486760385.db2.gz QKOIHYLRIAVMEP-HUUCEWRRSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+]1CCCC(C)(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000683574478 486760389 /nfs/dbraw/zinc/76/03/89/486760389.db2.gz QKOIHYLRIAVMEP-HUUCEWRRSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+]1CCCC(C)(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000683574478 486760394 /nfs/dbraw/zinc/76/03/94/486760394.db2.gz QKOIHYLRIAVMEP-HUUCEWRRSA-N 2 1 326.485 1.127 20 0 EDADMP [NH3+][C@H]1CCC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000417176093 486794435 /nfs/dbraw/zinc/79/44/35/486794435.db2.gz KWCLAICDBSWPDN-ZWKOTPCHSA-N 2 1 346.475 1.588 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000672961506 486856492 /nfs/dbraw/zinc/85/64/92/486856492.db2.gz DBVGPTYITACYDJ-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000672961506 486856495 /nfs/dbraw/zinc/85/64/95/486856495.db2.gz DBVGPTYITACYDJ-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667797635 486968482 /nfs/dbraw/zinc/96/84/82/486968482.db2.gz SRHXEBYLLXTDHT-UHFFFAOYSA-N 2 1 328.420 1.834 20 0 EDADMP CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000677217655 487012450 /nfs/dbraw/zinc/01/24/50/487012450.db2.gz CWYLBLVMUKAFNS-CQSZACIVSA-N 2 1 332.448 1.239 20 0 EDADMP CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000677217655 487012454 /nfs/dbraw/zinc/01/24/54/487012454.db2.gz CWYLBLVMUKAFNS-CQSZACIVSA-N 2 1 332.448 1.239 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000667965184 487037892 /nfs/dbraw/zinc/03/78/92/487037892.db2.gz ONANPBIIEXPXNQ-ROUUACIJSA-N 2 1 331.460 1.613 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)Nc2ccc3nccn3c2)CC1 ZINC000673762988 487108234 /nfs/dbraw/zinc/10/82/34/487108234.db2.gz VRNGPIPRQXRRAU-UHFFFAOYSA-N 2 1 331.420 1.909 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000674364264 487245020 /nfs/dbraw/zinc/24/50/20/487245020.db2.gz CQDBIPISMQNTJQ-QGZVFWFLSA-N 2 1 337.508 1.870 20 0 EDADMP C[NH+](C)CCOc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000678121172 487251857 /nfs/dbraw/zinc/25/18/57/487251857.db2.gz UNUFXQOKEGZPRH-UHFFFAOYSA-N 2 1 341.459 1.739 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000674400610 487252938 /nfs/dbraw/zinc/25/29/38/487252938.db2.gz SUWUDJOMJOCPNF-VYDXJSESSA-N 2 1 338.496 1.079 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000678603433 487340836 /nfs/dbraw/zinc/34/08/36/487340836.db2.gz UYZMRSQJDRBYDW-KGLIPLIRSA-N 2 1 343.518 1.551 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000678603433 487340839 /nfs/dbraw/zinc/34/08/39/487340839.db2.gz UYZMRSQJDRBYDW-KGLIPLIRSA-N 2 1 343.518 1.551 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000675179102 487385262 /nfs/dbraw/zinc/38/52/62/487385262.db2.gz WOYCJIBERNAMJR-IXDOHACOSA-N 2 1 340.512 1.659 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[NH+](C(C)(C)CO)CC1)[NH+]1CCCCC1 ZINC000679316322 487413028 /nfs/dbraw/zinc/41/30/28/487413028.db2.gz QKQNOWPAQQXOIS-MRXNPFEDSA-N 2 1 325.497 1.412 20 0 EDADMP O[C@H](COc1ccccc1F)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675510219 487417321 /nfs/dbraw/zinc/41/73/21/487417321.db2.gz QNKTXPMZINGRLE-INIZCTEOSA-N 2 1 331.391 1.783 20 0 EDADMP C[C@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccncc1 ZINC000675553190 487421907 /nfs/dbraw/zinc/42/19/07/487421907.db2.gz RTTWHRGKCPFYFS-OAHLLOKOSA-N 2 1 326.448 1.517 20 0 EDADMP CSc1c(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cnn1C ZINC000682900802 487427871 /nfs/dbraw/zinc/42/78/71/487427871.db2.gz YAESVEFJHDJABG-LBPRGKRZSA-N 2 1 337.493 1.040 20 0 EDADMP CSc1c(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cnn1C ZINC000682900802 487427874 /nfs/dbraw/zinc/42/78/74/487427874.db2.gz YAESVEFJHDJABG-LBPRGKRZSA-N 2 1 337.493 1.040 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)N3CC[C@@H]([NH3+])C3)CC[N@H+]2C2CC2)c1 ZINC000669554347 485552038 /nfs/dbraw/zinc/55/20/38/485552038.db2.gz DYHXQAMDHULTGE-FHLIZLRMSA-N 2 1 344.459 1.716 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000672940322 485715240 /nfs/dbraw/zinc/71/52/40/485715240.db2.gz ACFOWRLWZQLFIU-INIZCTEOSA-N 2 1 340.512 1.062 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000672940322 485715248 /nfs/dbraw/zinc/71/52/48/485715248.db2.gz ACFOWRLWZQLFIU-INIZCTEOSA-N 2 1 340.512 1.062 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000672940322 485715253 /nfs/dbraw/zinc/71/52/53/485715253.db2.gz ACFOWRLWZQLFIU-INIZCTEOSA-N 2 1 340.512 1.062 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]C1)NCC[N@@H+]1CCc2sccc2C1 ZINC000669405538 486076751 /nfs/dbraw/zinc/07/67/51/486076751.db2.gz PDICFXXTHCAJKL-CQSZACIVSA-N 2 1 336.505 1.795 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]C1)NCC[N@H+]1CCc2sccc2C1 ZINC000669405538 486076758 /nfs/dbraw/zinc/07/67/58/486076758.db2.gz PDICFXXTHCAJKL-CQSZACIVSA-N 2 1 336.505 1.795 20 0 EDADMP O=C(NCCN1CC[C@@H](O)C1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000629174237 486114977 /nfs/dbraw/zinc/11/49/77/486114977.db2.gz WZTYFNWQJXQDID-MSOLQXFVSA-N 2 1 349.450 1.363 20 0 EDADMP [NH3+][C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000669420211 486139319 /nfs/dbraw/zinc/13/93/19/486139319.db2.gz DVXPNBTUPHPXDX-SJLPKXTDSA-N 2 1 330.476 1.935 20 0 EDADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670787176 486218292 /nfs/dbraw/zinc/21/82/92/486218292.db2.gz MLIDQMXGHVATSG-SFHVURJKSA-N 2 1 341.459 1.575 20 0 EDADMP C[C@H]1CC[C@](CO)([N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000187957990 533771000 /nfs/dbraw/zinc/77/10/00/533771000.db2.gz DNHAHKMQIYBRIO-QRFRQXIXSA-N 2 1 347.503 1.888 20 0 EDADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC000181746801 529168343 /nfs/dbraw/zinc/16/83/43/529168343.db2.gz MKWWBKDVRVDZTI-GDBMZVCRSA-N 2 1 325.478 1.859 20 0 EDADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC000181746801 529168346 /nfs/dbraw/zinc/16/83/46/529168346.db2.gz MKWWBKDVRVDZTI-GDBMZVCRSA-N 2 1 325.478 1.859 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000333869212 534998170 /nfs/dbraw/zinc/99/81/70/534998170.db2.gz BJJIJEOZCOTVLG-FUHWJXTLSA-N 2 1 338.496 1.128 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000247399683 535131702 /nfs/dbraw/zinc/13/17/02/535131702.db2.gz QYXQIKHIKIVZGK-IRXDYDNUSA-N 2 1 340.512 1.232 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000247399683 535131704 /nfs/dbraw/zinc/13/17/04/535131704.db2.gz QYXQIKHIKIVZGK-IRXDYDNUSA-N 2 1 340.512 1.232 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000125511622 535513704 /nfs/dbraw/zinc/51/37/04/535513704.db2.gz YRVOZZCQUMLABO-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000236939069 535688543 /nfs/dbraw/zinc/68/85/43/535688543.db2.gz IPVTWPKNIMUSMQ-AYHJJNSGSA-N 2 1 336.524 1.441 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[N@H+](CC)C[C@@H]3C)C2)nc1 ZINC000346835159 535690955 /nfs/dbraw/zinc/69/09/55/535690955.db2.gz OMULUQVMBXHMEB-WMLDXEAASA-N 2 1 346.475 1.767 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[N@@H+](CC)C[C@@H]3C)C2)nc1 ZINC000346835159 535690961 /nfs/dbraw/zinc/69/09/61/535690961.db2.gz OMULUQVMBXHMEB-WMLDXEAASA-N 2 1 346.475 1.767 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccnc3)C2)CC1 ZINC000093133254 535737134 /nfs/dbraw/zinc/73/71/34/535737134.db2.gz IKKGHVSARFSXRE-GOSISDBHSA-N 2 1 340.475 1.684 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000262664589 535849994 /nfs/dbraw/zinc/84/99/94/535849994.db2.gz OXYIJFZSRASOCV-VBNZEHGJSA-N 2 1 332.448 1.448 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000262664589 535849996 /nfs/dbraw/zinc/84/99/96/535849996.db2.gz OXYIJFZSRASOCV-VBNZEHGJSA-N 2 1 332.448 1.448 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CCSC1 ZINC000353333504 536143281 /nfs/dbraw/zinc/14/32/81/536143281.db2.gz YPWQVLWJXSQTAY-UXLLHSPISA-N 2 1 340.537 1.549 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000262142737 536304664 /nfs/dbraw/zinc/30/46/64/536304664.db2.gz OSQZNXNKDKDCRM-SFHVURJKSA-N 2 1 330.476 1.409 20 0 EDADMP C[NH2+][C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)c1cnn(C)c1 ZINC000262388490 536380151 /nfs/dbraw/zinc/38/01/51/536380151.db2.gz NWTCCWUCIHXZEJ-BQFCYCMXSA-N 2 1 347.507 1.794 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000237329454 536464173 /nfs/dbraw/zinc/46/41/73/536464173.db2.gz MMURMQJBYUMMNR-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000237329454 536464177 /nfs/dbraw/zinc/46/41/77/536464177.db2.gz MMURMQJBYUMMNR-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP COc1cc(C)nc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000347144147 536690149 /nfs/dbraw/zinc/69/01/49/536690149.db2.gz XKLFBDLSGHMVFH-HNNXBMFYSA-N 2 1 332.448 1.042 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000743768074 579490395 /nfs/dbraw/zinc/49/03/95/579490395.db2.gz SXHLSWULLVFDDA-RTBURBONSA-N 2 1 345.487 1.500 20 0 EDADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735857674 578929628 /nfs/dbraw/zinc/92/96/28/578929628.db2.gz XKRQTHGTEXSBPP-UHFFFAOYSA-N 2 1 328.424 1.334 20 0 EDADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735857674 578929629 /nfs/dbraw/zinc/92/96/29/578929629.db2.gz XKRQTHGTEXSBPP-UHFFFAOYSA-N 2 1 328.424 1.334 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000745733740 579560133 /nfs/dbraw/zinc/56/01/33/579560133.db2.gz BGNGFQBVIJUNRS-CJNGLKHVSA-N 2 1 342.447 1.858 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000745733740 579560134 /nfs/dbraw/zinc/56/01/34/579560134.db2.gz BGNGFQBVIJUNRS-CJNGLKHVSA-N 2 1 342.447 1.858 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[N@H+](CC)CCO3)cc2)CC1 ZINC000746098134 579571794 /nfs/dbraw/zinc/57/17/94/579571794.db2.gz ADRMGNLPLDOYPC-GOSISDBHSA-N 2 1 346.475 1.488 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[N@@H+](CC)CCO3)cc2)CC1 ZINC000746098134 579571795 /nfs/dbraw/zinc/57/17/95/579571795.db2.gz ADRMGNLPLDOYPC-GOSISDBHSA-N 2 1 346.475 1.488 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000747546492 579648415 /nfs/dbraw/zinc/64/84/15/579648415.db2.gz IKZXFYNIAMYUAH-JKSUJKDBSA-N 2 1 342.403 1.252 20 0 EDADMP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000750186227 579755118 /nfs/dbraw/zinc/75/51/18/579755118.db2.gz MSPCBGWGFWBZTK-AEFFLSMTSA-N 2 1 326.481 1.493 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NCCSC ZINC000752750404 579865096 /nfs/dbraw/zinc/86/50/96/579865096.db2.gz JBAWQBOCALDIBZ-AWEZNQCLSA-N 2 1 332.583 1.572 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)[C@H](C)C1 ZINC000765280850 580139281 /nfs/dbraw/zinc/13/92/81/580139281.db2.gz TXUSIOWUIFBZKV-WBVHZDCISA-N 2 1 339.505 1.426 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC000765811826 580151844 /nfs/dbraw/zinc/15/18/44/580151844.db2.gz RHMQJQHUDIRUGQ-FUHWJXTLSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC000765811826 580151845 /nfs/dbraw/zinc/15/18/45/580151845.db2.gz RHMQJQHUDIRUGQ-FUHWJXTLSA-N 2 1 331.460 1.345 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC000768719334 580218907 /nfs/dbraw/zinc/21/89/07/580218907.db2.gz FVOSHSUPPQXOMN-UHFFFAOYSA-N 2 1 344.419 1.052 20 0 EDADMP C[C@H]([NH2+][C@@H](CO)C1CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000771802999 580294594 /nfs/dbraw/zinc/29/45/94/580294594.db2.gz NAUHRVMDAUOTLF-WBAXXEDZSA-N 2 1 331.460 1.126 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](CO)C2CC2)CC1 ZINC000771803965 580294635 /nfs/dbraw/zinc/29/46/35/580294635.db2.gz QNXDMOQVWIZXKP-IBGZPJMESA-N 2 1 345.487 1.390 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000779654742 580493391 /nfs/dbraw/zinc/49/33/91/580493391.db2.gz QSPYKLOPOQWAFD-RBSFLKMASA-N 2 1 340.468 1.289 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000779654742 580493392 /nfs/dbraw/zinc/49/33/92/580493392.db2.gz QSPYKLOPOQWAFD-RBSFLKMASA-N 2 1 340.468 1.289 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000780208191 580516095 /nfs/dbraw/zinc/51/60/95/580516095.db2.gz JUGYPARYPSBCJK-HUUCEWRRSA-N 2 1 342.553 1.122 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000780208191 580516096 /nfs/dbraw/zinc/51/60/96/580516096.db2.gz JUGYPARYPSBCJK-HUUCEWRRSA-N 2 1 342.553 1.122 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000780208191 580516097 /nfs/dbraw/zinc/51/60/97/580516097.db2.gz JUGYPARYPSBCJK-HUUCEWRRSA-N 2 1 342.553 1.122 20 0 EDADMP CC[NH+](CC)CCOC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000785647656 580648763 /nfs/dbraw/zinc/64/87/63/580648763.db2.gz WDVALFIIJMKUKC-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000788482687 580722576 /nfs/dbraw/zinc/72/25/76/580722576.db2.gz QOBPHGNEKZBDQB-UHFFFAOYSA-N 2 1 339.505 1.547 20 0 EDADMP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000792933069 580831213 /nfs/dbraw/zinc/83/12/13/580831213.db2.gz GFPWWMFZHVPUKM-CGTJXYLNSA-N 2 1 334.460 1.453 20 0 EDADMP C[NH+](C)CCCNC(=S)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794992152 580910256 /nfs/dbraw/zinc/91/02/56/580910256.db2.gz VVUCRNYNXRNGKQ-KRWDZBQOSA-N 2 1 334.533 1.924 20 0 EDADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000796361115 580952010 /nfs/dbraw/zinc/95/20/10/580952010.db2.gz RQFLDZSVVMBWCY-WTGUMLROSA-N 2 1 330.472 1.948 20 0 EDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000796361115 580952011 /nfs/dbraw/zinc/95/20/11/580952011.db2.gz RQFLDZSVVMBWCY-WTGUMLROSA-N 2 1 330.472 1.948 20 0 EDADMP CO[C@@H](C)C[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000796640980 580958741 /nfs/dbraw/zinc/95/87/41/580958741.db2.gz TWXMUARKUSVTJD-INIZCTEOSA-N 2 1 333.476 1.865 20 0 EDADMP Nc1cc[nH+]c(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000891864658 590662204 /nfs/dbraw/zinc/66/22/04/590662204.db2.gz HVBQYDDZFZBWRC-INIZCTEOSA-N 2 1 339.443 1.985 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)NCC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000891881537 590668247 /nfs/dbraw/zinc/66/82/47/590668247.db2.gz GXECGOOCRZDMGL-ZWKOTPCHSA-N 2 1 328.460 1.390 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000891881537 590668251 /nfs/dbraw/zinc/66/82/51/590668251.db2.gz GXECGOOCRZDMGL-ZWKOTPCHSA-N 2 1 328.460 1.390 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)NCC[N@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000891881537 590668253 /nfs/dbraw/zinc/66/82/53/590668253.db2.gz GXECGOOCRZDMGL-ZWKOTPCHSA-N 2 1 328.460 1.390 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000892004090 590738564 /nfs/dbraw/zinc/73/85/64/590738564.db2.gz BYCMVBDUDCAUQO-ROUUACIJSA-N 2 1 346.475 1.247 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000892004090 590738567 /nfs/dbraw/zinc/73/85/67/590738567.db2.gz BYCMVBDUDCAUQO-ROUUACIJSA-N 2 1 346.475 1.247 20 0 EDADMP Cc1nccn1-c1ccc(CNC(=O)NCC[N@@H+]2CC[C@@H](C)C2)cn1 ZINC000892197826 590860289 /nfs/dbraw/zinc/86/02/89/590860289.db2.gz YIZPUGFDEOUDRA-CQSZACIVSA-N 2 1 342.447 1.717 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC[N@@H+]2CC[C@@H](C)C2)cn1 ZINC000892197826 590860294 /nfs/dbraw/zinc/86/02/94/590860294.db2.gz YIZPUGFDEOUDRA-CQSZACIVSA-N 2 1 342.447 1.717 20 0 EDADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000893487403 590904871 /nfs/dbraw/zinc/90/48/71/590904871.db2.gz JGXIUKKEKXYBSW-KRWDZBQOSA-N 2 1 343.537 1.655 20 0 EDADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000891363877 591061343 /nfs/dbraw/zinc/06/13/43/591061343.db2.gz NUVSQUHZCUDSHM-XHSDSOJGSA-N 2 1 336.480 1.071 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000892535855 591063443 /nfs/dbraw/zinc/06/34/43/591063443.db2.gz JOQBKKWVVPDHIP-RDJZCZTQSA-N 2 1 334.464 1.184 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000892535855 591063447 /nfs/dbraw/zinc/06/34/47/591063447.db2.gz JOQBKKWVVPDHIP-RDJZCZTQSA-N 2 1 334.464 1.184 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000892535355 591064370 /nfs/dbraw/zinc/06/43/70/591064370.db2.gz DHHCNZOYWXLUHM-FUHWJXTLSA-N 2 1 346.475 1.186 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000892535355 591064376 /nfs/dbraw/zinc/06/43/76/591064376.db2.gz DHHCNZOYWXLUHM-FUHWJXTLSA-N 2 1 346.475 1.186 20 0 EDADMP [NH3+][C@H]1C[C@H](CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000892564754 591074419 /nfs/dbraw/zinc/07/44/19/591074419.db2.gz KLHAXHWEWMFBPA-OKYOBFRVSA-N 2 1 342.487 1.887 20 0 EDADMP COc1cccc([C@@H](CNC(=O)NCC[N@H+]2CC[C@@H](C)C2)[NH+](C)C)c1 ZINC000891539037 591113822 /nfs/dbraw/zinc/11/38/22/591113822.db2.gz JGPGEHVDUCKMMB-CRAIPNDOSA-N 2 1 348.491 1.939 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)Cc1ccc(F)cc1 ZINC000891647234 591165098 /nfs/dbraw/zinc/16/50/98/591165098.db2.gz SJRILCKMOLCMJT-IAGOWNOFSA-N 2 1 334.439 1.793 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892774671 591172688 /nfs/dbraw/zinc/17/26/88/591172688.db2.gz UFYQHODFSRKZTG-HZPDHXFCSA-N 2 1 338.496 1.128 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000891670870 591177102 /nfs/dbraw/zinc/17/71/02/591177102.db2.gz UPRIJTFGGCQOJF-VQIMIIECSA-N 2 1 344.503 1.978 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000891671520 591178776 /nfs/dbraw/zinc/17/87/76/591178776.db2.gz XSQBLNBDXBDFBV-KBPBESRZSA-N 2 1 332.439 1.508 20 0 EDADMP CN(C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892797612 591181435 /nfs/dbraw/zinc/18/14/35/591181435.db2.gz QENAMQRNIJFMJT-HTUJPFKRSA-N 2 1 342.487 1.968 20 0 EDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nccn3cncc23)CC1 ZINC000891709077 591194277 /nfs/dbraw/zinc/19/42/77/591194277.db2.gz NGDHUWLIWPECLO-UHFFFAOYSA-N 2 1 330.436 1.110 20 0 EDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nccn3cncc23)CC1 ZINC000891709077 591194279 /nfs/dbraw/zinc/19/42/79/591194279.db2.gz NGDHUWLIWPECLO-UHFFFAOYSA-N 2 1 330.436 1.110 20 0 EDADMP C[NH+]1CC[C@H]1CNc1cc(NC[C@H]2CC[N@@H+]2C)nc2cnccc21 ZINC000895768497 591268735 /nfs/dbraw/zinc/26/87/35/591268735.db2.gz CZKZNVDSHBZORG-UONOGXRCSA-N 2 1 326.448 1.862 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1cc(NC[C@@H]2CC[N@@H+]2C)c2ccncc2n1 ZINC000895768497 591268737 /nfs/dbraw/zinc/26/87/37/591268737.db2.gz CZKZNVDSHBZORG-UONOGXRCSA-N 2 1 326.448 1.862 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1cc(NC[C@@H]2CC[N@H+]2C)c2ccncc2n1 ZINC000895768497 591268739 /nfs/dbraw/zinc/26/87/39/591268739.db2.gz CZKZNVDSHBZORG-UONOGXRCSA-N 2 1 326.448 1.862 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCNC(=O)CC23CCC3)cc1 ZINC000895928843 591305698 /nfs/dbraw/zinc/30/56/98/591305698.db2.gz RBBJAYUEUQOOPF-UHFFFAOYSA-N 2 1 331.460 1.872 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894465817 591319673 /nfs/dbraw/zinc/31/96/73/591319673.db2.gz QLUFOCTTYSBFRZ-HZPDHXFCSA-N 2 1 329.460 1.189 20 0 EDADMP COC(=O)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1C ZINC000894466092 591319691 /nfs/dbraw/zinc/31/96/91/591319691.db2.gz VCKZJURKUWIVSW-UHFFFAOYSA-N 2 1 333.476 1.851 20 0 EDADMP O[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(OCCN3CCOCC3)cc1)C2 ZINC000898549051 591406468 /nfs/dbraw/zinc/40/64/68/591406468.db2.gz DFQPASJOSRUXDU-QYZOEREBSA-N 2 1 346.471 1.743 20 0 EDADMP CN(CC[N@@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1)C1CC[NH+](C)CC1 ZINC000894767334 591414271 /nfs/dbraw/zinc/41/42/71/591414271.db2.gz VVUIICPFFBZAAJ-UHFFFAOYSA-N 2 1 331.464 1.726 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000897469168 591470322 /nfs/dbraw/zinc/47/03/22/591470322.db2.gz FIBMZCVOINERRS-HZPDHXFCSA-N 2 1 331.464 1.644 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000897517536 591517357 /nfs/dbraw/zinc/51/73/57/591517357.db2.gz AZQVVCVPVHBFTE-DOTOQJQBSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)CCO2 ZINC000897557975 591553773 /nfs/dbraw/zinc/55/37/73/591553773.db2.gz VEBVZBYKAVUAKG-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CCO1 ZINC000897558536 591554302 /nfs/dbraw/zinc/55/43/02/591554302.db2.gz JEPIGCDCSWJIMI-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000897649597 591604179 /nfs/dbraw/zinc/60/41/79/591604179.db2.gz JMTODUCQOBGUJL-CAOSSQGBSA-N 2 1 339.480 1.837 20 0 EDADMP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897649597 591604181 /nfs/dbraw/zinc/60/41/81/591604181.db2.gz JMTODUCQOBGUJL-CAOSSQGBSA-N 2 1 339.480 1.837 20 0 EDADMP COc1cc(C[NH+](C)C)ccc1NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000909474102 591619906 /nfs/dbraw/zinc/61/99/06/591619906.db2.gz CICFYRUMYHEUBR-GOSISDBHSA-N 2 1 335.448 1.542 20 0 EDADMP C[NH+]1CCN(c2ncc(CNCc3cnc(Cl)s3)cn2)CC1 ZINC000895156165 591623497 /nfs/dbraw/zinc/62/34/97/591623497.db2.gz WHRJCBCLUIAQGC-UHFFFAOYSA-N 2 1 338.868 1.628 20 0 EDADMP COC(=O)[C@@H]1[C@H](CN2CCC[C@H]([NH+]3CCOCC3)CC2)C1(F)F ZINC000895193382 591651624 /nfs/dbraw/zinc/65/16/24/591651624.db2.gz XFPLUDNNDIFGKU-IHRRRGAJSA-N 2 1 332.391 1.227 20 0 EDADMP Cn1cc([C@@]2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCCO2)cn1 ZINC000898052679 591755732 /nfs/dbraw/zinc/75/57/32/591755732.db2.gz KDUVTZBEGRCWMD-MOPGFXCFSA-N 2 1 348.491 1.659 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@]34C[C@H]3COC43CCC3)cn2)CC1 ZINC000898065976 591771417 /nfs/dbraw/zinc/77/14/17/591771417.db2.gz RFOLFSCHVDIGIF-FUHWJXTLSA-N 2 1 343.475 1.277 20 0 EDADMP C[NH+]1CCCC12CCN(C(=O)c1cc([C@H]3CCC[N@H+]3C)[nH]n1)CC2 ZINC000897299976 591821781 /nfs/dbraw/zinc/82/17/81/591821781.db2.gz UFVNVCBXTMUVQE-MRXNPFEDSA-N 2 1 331.464 1.877 20 0 EDADMP C[NH+]1CCCC12CCN(C(=O)c1cc([C@H]3CCC[N@@H+]3C)[nH]n1)CC2 ZINC000897299976 591821785 /nfs/dbraw/zinc/82/17/85/591821785.db2.gz UFVNVCBXTMUVQE-MRXNPFEDSA-N 2 1 331.464 1.877 20 0 EDADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)n[nH]1 ZINC000897299976 591821789 /nfs/dbraw/zinc/82/17/89/591821789.db2.gz UFVNVCBXTMUVQE-MRXNPFEDSA-N 2 1 331.464 1.877 20 0 EDADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)n[nH]1 ZINC000897299976 591821790 /nfs/dbraw/zinc/82/17/90/591821790.db2.gz UFVNVCBXTMUVQE-MRXNPFEDSA-N 2 1 331.464 1.877 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898284800 591853015 /nfs/dbraw/zinc/85/30/15/591853015.db2.gz PGFQCPFZGHONCA-DYVFJYSZSA-N 2 1 337.489 1.655 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898284800 591853021 /nfs/dbraw/zinc/85/30/21/591853021.db2.gz PGFQCPFZGHONCA-DYVFJYSZSA-N 2 1 337.489 1.655 20 0 EDADMP COc1ccc(-c2cn(CC[N@H+](C)CCC[NH+](C)C)nn2)cc1OC ZINC000899729896 591924279 /nfs/dbraw/zinc/92/42/79/591924279.db2.gz DKMGZMIAUPHBSX-UHFFFAOYSA-N 2 1 347.463 1.846 20 0 EDADMP COc1ccc(-c2cn(CC[N@@H+](C)CCC[NH+](C)C)nn2)cc1OC ZINC000899729896 591924282 /nfs/dbraw/zinc/92/42/82/591924282.db2.gz DKMGZMIAUPHBSX-UHFFFAOYSA-N 2 1 347.463 1.846 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccc(N3CCCCC3)nc2)C1 ZINC000900223140 591954239 /nfs/dbraw/zinc/95/42/39/591954239.db2.gz PMOYJSDKUSQJSY-LJQANCHMSA-N 2 1 346.475 1.535 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900257414 591963504 /nfs/dbraw/zinc/96/35/04/591963504.db2.gz ZNCHLMDPJKJNMK-KRWDZBQOSA-N 2 1 329.404 1.361 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900257414 591963506 /nfs/dbraw/zinc/96/35/06/591963506.db2.gz ZNCHLMDPJKJNMK-KRWDZBQOSA-N 2 1 329.404 1.361 20 0 EDADMP CN1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)cn2)CC1 ZINC000902336544 591980493 /nfs/dbraw/zinc/98/04/93/591980493.db2.gz NIIMDDBHAVJTDJ-KRWDZBQOSA-N 2 1 331.508 1.701 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)C1([NH3+])CC1 ZINC000902350892 591985028 /nfs/dbraw/zinc/98/50/28/591985028.db2.gz CPRWQMDQPWOLRK-QWRGUYRKSA-N 2 1 329.238 1.658 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000900313435 591985506 /nfs/dbraw/zinc/98/55/06/591985506.db2.gz WRIWCNGKHDPJCU-GOSISDBHSA-N 2 1 325.497 1.414 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900331574 591991897 /nfs/dbraw/zinc/99/18/97/591991897.db2.gz LLEGIGYIOHPQQL-SFHVURJKSA-N 2 1 343.431 1.039 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900331574 591991900 /nfs/dbraw/zinc/99/19/00/591991900.db2.gz LLEGIGYIOHPQQL-SFHVURJKSA-N 2 1 343.431 1.039 20 0 EDADMP [NH3+]C[C@@H]1CC2(CO1)CCN(c1nc(N[C@H]3CCCOC3)cc[nH+]1)CC2 ZINC000900365924 591997873 /nfs/dbraw/zinc/99/78/73/591997873.db2.gz PNEYUCWSURPBMA-GJZGRUSLSA-N 2 1 347.463 1.402 20 0 EDADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000902462691 592000487 /nfs/dbraw/zinc/00/04/87/592000487.db2.gz XVRFQQDXBFRYSW-KFKAGJAMSA-N 2 1 328.460 1.974 20 0 EDADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900654808 592081990 /nfs/dbraw/zinc/08/19/90/592081990.db2.gz AFINCHWECXSVGB-RVKKMQEKSA-N 2 1 325.497 1.458 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900654808 592081991 /nfs/dbraw/zinc/08/19/91/592081991.db2.gz AFINCHWECXSVGB-RVKKMQEKSA-N 2 1 325.497 1.458 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900654808 592081993 /nfs/dbraw/zinc/08/19/93/592081993.db2.gz AFINCHWECXSVGB-RVKKMQEKSA-N 2 1 325.497 1.458 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900654808 592081995 /nfs/dbraw/zinc/08/19/95/592081995.db2.gz AFINCHWECXSVGB-RVKKMQEKSA-N 2 1 325.497 1.458 20 0 EDADMP C[NH+]1CCC(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)CC1 ZINC000903097147 592122951 /nfs/dbraw/zinc/12/29/51/592122951.db2.gz PPIHMVWJFHPKCC-HUBHPDRSSA-N 3 1 332.536 1.902 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1nnnn1C ZINC000903344514 592155940 /nfs/dbraw/zinc/15/59/40/592155940.db2.gz PVPJDVUYOZJPBV-WBVHZDCISA-N 2 1 328.464 1.643 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1nnnn1C ZINC000903344514 592155941 /nfs/dbraw/zinc/15/59/41/592155941.db2.gz PVPJDVUYOZJPBV-WBVHZDCISA-N 2 1 328.464 1.643 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900900127 592164667 /nfs/dbraw/zinc/16/46/67/592164667.db2.gz IXLKTMVWVIPPNS-JWHDQAAXSA-N 2 1 349.519 1.963 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000900898894 592164736 /nfs/dbraw/zinc/16/47/36/592164736.db2.gz NBSGVLJMESHXQE-XLIONFOSSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000900898894 592164739 /nfs/dbraw/zinc/16/47/39/592164739.db2.gz NBSGVLJMESHXQE-XLIONFOSSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000900898894 592164740 /nfs/dbraw/zinc/16/47/40/592164740.db2.gz NBSGVLJMESHXQE-XLIONFOSSA-N 2 1 345.487 1.612 20 0 EDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000903464456 592171787 /nfs/dbraw/zinc/17/17/87/592171787.db2.gz OCTMTTFJZHJWGT-ARFHVFGLSA-N 3 1 332.496 1.126 20 0 EDADMP Cc1cn2c(nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2=O)s1 ZINC000903454171 592173680 /nfs/dbraw/zinc/17/36/80/592173680.db2.gz WIQIDYIMHSNNAD-KBPBESRZSA-N 2 1 332.473 1.886 20 0 EDADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCOCCN1C(=O)c3ccccc3C1=O)C2 ZINC000903464662 592174039 /nfs/dbraw/zinc/17/40/39/592174039.db2.gz VKCYOEQMDYFXGA-IFXJQAMLSA-N 2 1 343.427 1.112 20 0 EDADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCOCCN1C(=O)c3ccccc3C1=O)C2 ZINC000903464662 592174040 /nfs/dbraw/zinc/17/40/40/592174040.db2.gz VKCYOEQMDYFXGA-IFXJQAMLSA-N 2 1 343.427 1.112 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900984537 592190024 /nfs/dbraw/zinc/19/00/24/592190024.db2.gz MUHQKMIPGLOGQP-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H](C(=O)Nc1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510242 592190584 /nfs/dbraw/zinc/19/05/84/592190584.db2.gz FJVURUFNFFLJLR-ZYSHUDEJSA-N 2 1 342.487 1.914 20 0 EDADMP CC[C@@H](NC(=O)Cc1c[nH]cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000901062932 592221016 /nfs/dbraw/zinc/22/10/16/592221016.db2.gz BMOWSXAXQBBRJG-MSOLQXFVSA-N 2 1 342.443 1.748 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC000904376957 592244873 /nfs/dbraw/zinc/24/48/73/592244873.db2.gz ZEZHJRBYBAMSGY-NJAFHUGGSA-N 3 1 348.491 1.550 20 0 EDADMP NC(=O)c1cccc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)c1 ZINC000904452034 592264761 /nfs/dbraw/zinc/26/47/61/592264761.db2.gz GPXTVUWEOPCVAR-INIZCTEOSA-N 2 1 326.400 1.211 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000908020085 592268256 /nfs/dbraw/zinc/26/82/56/592268256.db2.gz GRRMZVKLJHJVNI-BZSNNMDCSA-N 2 1 335.492 1.574 20 0 EDADMP CN1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@@H+](C)CC1 ZINC000904608205 592295208 /nfs/dbraw/zinc/29/52/08/592295208.db2.gz YJHHSKBMMYHJGQ-UHFFFAOYSA-N 2 1 333.480 1.592 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000904607899 592295569 /nfs/dbraw/zinc/29/55/69/592295569.db2.gz VRLUFHGERRXYTL-SJORKVTESA-N 2 1 346.475 1.943 20 0 EDADMP Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)n1 ZINC000903740361 592303216 /nfs/dbraw/zinc/30/32/16/592303216.db2.gz VAEBTOKXCNTQRN-MSOLQXFVSA-N 2 1 348.491 1.359 20 0 EDADMP Cc1cc(C)n(C[C@@H]2C[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)n1 ZINC000903740361 592303220 /nfs/dbraw/zinc/30/32/20/592303220.db2.gz VAEBTOKXCNTQRN-MSOLQXFVSA-N 2 1 348.491 1.359 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904658731 592303262 /nfs/dbraw/zinc/30/32/62/592303262.db2.gz HEFCHIDEOIFCBK-HNNXBMFYSA-N 2 1 333.480 1.540 20 0 EDADMP Cc1csc(N2CC[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@@H]2C)n1 ZINC000903740847 592303557 /nfs/dbraw/zinc/30/35/57/592303557.db2.gz ZWGUNHHNKYGCGN-ZOBUZTSGSA-N 2 1 336.505 1.731 20 0 EDADMP COCC(C)(C)N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903764312 592308525 /nfs/dbraw/zinc/30/85/25/592308525.db2.gz RDTFFJLCDTYKCE-INIZCTEOSA-N 2 1 325.497 1.188 20 0 EDADMP CCOc1ccnc(N2CCC[N@@H+](C[C@H]3CCCC[NH2+]C3)CC2)n1 ZINC000903764007 592309074 /nfs/dbraw/zinc/30/90/74/592309074.db2.gz OEAMSEVRFYKGAK-INIZCTEOSA-N 2 1 333.480 1.777 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C(=O)OC)c2cccnc12 ZINC000903769700 592311018 /nfs/dbraw/zinc/31/10/18/592311018.db2.gz MIZHLIPINSIXFT-UHFFFAOYSA-N 2 1 331.416 1.689 20 0 EDADMP CCOc1ccnc(N2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000903899472 592370579 /nfs/dbraw/zinc/37/05/79/592370579.db2.gz RTUAWJYMZQRFED-ALOPSCKCSA-N 2 1 345.491 1.918 20 0 EDADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905073461 592403694 /nfs/dbraw/zinc/40/36/94/592403694.db2.gz WRUGZTZWCBLINL-RBUKOAKNSA-N 2 1 348.487 1.391 20 0 EDADMP C[NH2+]CCOc1cccc(-c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)c1 ZINC000904098572 592425015 /nfs/dbraw/zinc/42/50/15/592425015.db2.gz BYDWKXSPOUOHKC-GDBMZVCRSA-N 2 1 344.415 1.871 20 0 EDADMP CSC1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC[NH+](C)CC1 ZINC000908286673 592425263 /nfs/dbraw/zinc/42/52/63/592425263.db2.gz YHSQDWUMEOOMHD-CABCVRRESA-N 2 1 325.522 1.947 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1(C)C ZINC000905249667 592476705 /nfs/dbraw/zinc/47/67/05/592476705.db2.gz ZPGIAOAXBIUFJC-ROUUACIJSA-N 2 1 335.492 1.087 20 0 EDADMP CC1(C)CC[N@@H+](CCNC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000905675909 592608754 /nfs/dbraw/zinc/60/87/54/592608754.db2.gz AAHWMCIZWAXZMS-HXUWFJFHSA-N 2 1 331.504 1.945 20 0 EDADMP CC1(C)CC[NH+](CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000905675909 592608760 /nfs/dbraw/zinc/60/87/60/592608760.db2.gz AAHWMCIZWAXZMS-HXUWFJFHSA-N 2 1 331.504 1.945 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C)C1CC1 ZINC000907501555 592676250 /nfs/dbraw/zinc/67/62/50/592676250.db2.gz BTRCAOOIPVSRNW-NLWGTHIKSA-N 2 1 345.487 1.468 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)C1CC1 ZINC000907501555 592676253 /nfs/dbraw/zinc/67/62/53/592676253.db2.gz BTRCAOOIPVSRNW-NLWGTHIKSA-N 2 1 345.487 1.468 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)C1CC1 ZINC000907501555 592676257 /nfs/dbraw/zinc/67/62/57/592676257.db2.gz BTRCAOOIPVSRNW-NLWGTHIKSA-N 2 1 345.487 1.468 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C[C@@]1(O)CCOC1 ZINC000905911728 592692025 /nfs/dbraw/zinc/69/20/25/592692025.db2.gz ZGVQLTKFBSYILW-UXHICEINSA-N 2 1 348.487 1.186 20 0 EDADMP O=C(NCC[N@@H+]1CCCOCC1)c1cnccc1Nc1ccccc1 ZINC000907612216 592740194 /nfs/dbraw/zinc/74/01/94/592740194.db2.gz ACGTWCWKGLUJLB-UHFFFAOYSA-N 2 1 340.427 1.699 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)c1cnccc1Nc1ccccc1 ZINC000907612216 592740197 /nfs/dbraw/zinc/74/01/97/592740197.db2.gz ACGTWCWKGLUJLB-UHFFFAOYSA-N 2 1 340.427 1.699 20 0 EDADMP CO[C@H]1CCN(Cc2nc(C(=O)NC[C@H](C)[N@@H+](C)C3CC3)co2)C1 ZINC000906539217 592846818 /nfs/dbraw/zinc/84/68/18/592846818.db2.gz GCGWFQTZLGNMDU-JSGCOSHPSA-N 2 1 336.436 1.108 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906587395 592851886 /nfs/dbraw/zinc/85/18/86/592851886.db2.gz MZMCBRROSCSRHP-QZTJIDSGSA-N 2 1 334.435 1.841 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000906644980 592865830 /nfs/dbraw/zinc/86/58/30/592865830.db2.gz HSUVSYXCJVWOMB-HZPDHXFCSA-N 2 1 344.459 1.562 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911188458 592945517 /nfs/dbraw/zinc/94/55/17/592945517.db2.gz YDUANKLBDJYMBE-XHSDSOJGSA-N 2 1 338.496 1.001 20 0 EDADMP CC(C)([NH3+])CNC(=O)[C@@H]([NH3+])c1ccccc1I ZINC000911846722 593025402 /nfs/dbraw/zinc/02/54/02/593025402.db2.gz QTVYGRFQWIISME-JTQLQIEISA-N 2 1 347.200 1.145 20 0 EDADMP CC[N@@H+]1[C@H](C)CN(C(=O)C2(CCOC)CC[NH+](C)CC2)C[C@@H]1C ZINC000912021345 593053066 /nfs/dbraw/zinc/05/30/66/593053066.db2.gz KZQKAHYDIKTOAX-IYBDPMFKSA-N 2 1 325.497 1.676 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000912049739 593057079 /nfs/dbraw/zinc/05/70/79/593057079.db2.gz WLBONNIXSNNXNE-WCXIOVBPSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000912049739 593057080 /nfs/dbraw/zinc/05/70/80/593057080.db2.gz WLBONNIXSNNXNE-WCXIOVBPSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000912049739 593057082 /nfs/dbraw/zinc/05/70/82/593057082.db2.gz WLBONNIXSNNXNE-WCXIOVBPSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000912049739 593057084 /nfs/dbraw/zinc/05/70/84/593057084.db2.gz WLBONNIXSNNXNE-WCXIOVBPSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000912284001 593082572 /nfs/dbraw/zinc/08/25/72/593082572.db2.gz LZKNHJVCARLVRT-QGZVFWFLSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000912284001 593082573 /nfs/dbraw/zinc/08/25/73/593082573.db2.gz LZKNHJVCARLVRT-QGZVFWFLSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000912284001 593082574 /nfs/dbraw/zinc/08/25/74/593082574.db2.gz LZKNHJVCARLVRT-QGZVFWFLSA-N 2 1 338.540 1.639 20 0 EDADMP CC[N@H+]1CCC[C@H](CN(C)C(=O)Cc2cnc[nH]2)[C@@H]1c1cnn(C)c1 ZINC000912408627 593093883 /nfs/dbraw/zinc/09/38/83/593093883.db2.gz NGOAEASJVVKCPS-RDTXWAMCSA-N 2 1 344.463 1.617 20 0 EDADMP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000912590207 593106878 /nfs/dbraw/zinc/10/68/78/593106878.db2.gz PNJMVHHNLUBTQV-SFHVURJKSA-N 2 1 347.503 1.888 20 0 EDADMP CC(C)(C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1)[NH+]1CCCC1 ZINC000805609030 593113179 /nfs/dbraw/zinc/11/31/79/593113179.db2.gz KTZRMMMBARGCFQ-UHFFFAOYSA-N 2 1 337.464 1.147 20 0 EDADMP CC(C)C[N@H+](C)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000839976720 593270642 /nfs/dbraw/zinc/27/06/42/593270642.db2.gz OAORFWWOUKPRHY-CALCHBBNSA-N 2 1 329.444 1.649 20 0 EDADMP CC(C)C[N@@H+](C)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000839976720 593270644 /nfs/dbraw/zinc/27/06/44/593270644.db2.gz OAORFWWOUKPRHY-CALCHBBNSA-N 2 1 329.444 1.649 20 0 EDADMP CC(C)C[NH+](C)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000839976720 593270645 /nfs/dbraw/zinc/27/06/45/593270645.db2.gz OAORFWWOUKPRHY-CALCHBBNSA-N 2 1 329.444 1.649 20 0 EDADMP CC(C)C[NH+](C)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000839976720 593270647 /nfs/dbraw/zinc/27/06/47/593270647.db2.gz OAORFWWOUKPRHY-CALCHBBNSA-N 2 1 329.444 1.649 20 0 EDADMP CC1=C(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)SCCO1 ZINC000839256248 593280960 /nfs/dbraw/zinc/28/09/60/593280960.db2.gz LJYADKCYFPNULK-UHFFFAOYSA-N 2 1 334.445 1.767 20 0 EDADMP C[C@H]1C[C@H](C)[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840006438 593342275 /nfs/dbraw/zinc/34/22/75/593342275.db2.gz CATYKYWJPWUBPY-UOVPBQLFSA-N 2 1 341.455 1.791 20 0 EDADMP C[C@H]1C[C@H](C)[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840006438 593342277 /nfs/dbraw/zinc/34/22/77/593342277.db2.gz CATYKYWJPWUBPY-UOVPBQLFSA-N 2 1 341.455 1.791 20 0 EDADMP O=C1[C@@H]2CCC[C@H]2CN1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000840018666 593380756 /nfs/dbraw/zinc/38/07/56/593380756.db2.gz ONARFJGVQNVMGF-FUHWJXTLSA-N 2 1 335.492 1.779 20 0 EDADMP COC[C@]1(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)CCC[NH2+]1 ZINC000817975083 593652704 /nfs/dbraw/zinc/65/27/04/593652704.db2.gz QNOASOVYGPLXOL-BLLLJJGKSA-N 2 1 340.855 1.810 20 0 EDADMP O[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cn1 ZINC000819219261 593744932 /nfs/dbraw/zinc/74/49/32/593744932.db2.gz ORCSJTQGIFDNAZ-PKOBYXMFSA-N 2 1 345.418 1.611 20 0 EDADMP COC(=O)N1CCC(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000819308024 593749782 /nfs/dbraw/zinc/74/97/82/593749782.db2.gz LWGMGZYDXPNAAX-SFHVURJKSA-N 2 1 349.475 1.547 20 0 EDADMP COC(=O)N1CCC(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000819308024 593749783 /nfs/dbraw/zinc/74/97/83/593749783.db2.gz LWGMGZYDXPNAAX-SFHVURJKSA-N 2 1 349.475 1.547 20 0 EDADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)C1 ZINC000819367468 593752120 /nfs/dbraw/zinc/75/21/20/593752120.db2.gz ZUEZUVBYIFAKNL-AWEZNQCLSA-N 2 1 348.509 1.064 20 0 EDADMP c1sc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1-c1nn[nH]n1 ZINC000823821563 593867687 /nfs/dbraw/zinc/86/76/87/593867687.db2.gz WSZUMZVKEPXDQH-GFCCVEGCSA-N 2 1 348.476 1.519 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NOCC1CCC1 ZINC000824062050 593921176 /nfs/dbraw/zinc/92/11/76/593921176.db2.gz PCAHFNFDNFJHTL-MRXNPFEDSA-N 2 1 326.485 1.776 20 0 EDADMP COC[C@]1(c2nc(-c3ccc(-n4cc[nH+]c4C)nc3)no2)CC[NH2+]C1 ZINC000822784433 594100034 /nfs/dbraw/zinc/10/00/34/594100034.db2.gz AMHLRSBTWBOPGZ-KRWDZBQOSA-N 2 1 340.387 1.503 20 0 EDADMP COC(=O)CC[C@H]([NH3+])c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000822863366 594112961 /nfs/dbraw/zinc/11/29/61/594112961.db2.gz PSOMTVNWMJCROX-LBPRGKRZSA-N 2 1 349.391 1.025 20 0 EDADMP C[NH+](C)CCONC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000823254989 594176253 /nfs/dbraw/zinc/17/62/53/594176253.db2.gz JWNZHXPRYROTKN-IEBWSBKVSA-N 2 1 347.459 1.135 20 0 EDADMP C[NH+](C)CCONC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000823254989 594176254 /nfs/dbraw/zinc/17/62/54/594176254.db2.gz JWNZHXPRYROTKN-IEBWSBKVSA-N 2 1 347.459 1.135 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000825451122 594186739 /nfs/dbraw/zinc/18/67/39/594186739.db2.gz FWZIGKNQZVLOLD-CZUORRHYSA-N 2 1 330.436 1.565 20 0 EDADMP Cn1c2ccc(CN3CCC([N@H+]4CC[C@@H](O)C4)CC3)cc2oc1=O ZINC000827700432 594260296 /nfs/dbraw/zinc/26/02/96/594260296.db2.gz STRDAUFJTPIYPG-OAHLLOKOSA-N 2 1 331.416 1.163 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000828142886 594350425 /nfs/dbraw/zinc/35/04/25/594350425.db2.gz VGLLZWWDTIRHCN-INIZCTEOSA-N 2 1 331.464 1.645 20 0 EDADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000831127137 594563262 /nfs/dbraw/zinc/56/32/62/594563262.db2.gz CUCVPSMEESSYHZ-SOLBZPMBSA-N 2 1 344.459 1.117 20 0 EDADMP [NH3+]CCCCCCNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000831191054 594578167 /nfs/dbraw/zinc/57/81/67/594578167.db2.gz FZCLBQAFLSJCLS-UHFFFAOYSA-N 2 1 325.501 1.021 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000827322453 594661053 /nfs/dbraw/zinc/66/10/53/594661053.db2.gz ZSYCHDOUAJXUFU-AYOQOUSVSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000827322453 594661054 /nfs/dbraw/zinc/66/10/54/594661054.db2.gz ZSYCHDOUAJXUFU-AYOQOUSVSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000827322453 594661055 /nfs/dbraw/zinc/66/10/55/594661055.db2.gz ZSYCHDOUAJXUFU-AYOQOUSVSA-N 2 1 327.472 1.986 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831571905 594684267 /nfs/dbraw/zinc/68/42/67/594684267.db2.gz PKULHJZPBQBPSP-CHWSQXEVSA-N 2 1 330.354 1.534 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831571905 594684268 /nfs/dbraw/zinc/68/42/68/594684268.db2.gz PKULHJZPBQBPSP-CHWSQXEVSA-N 2 1 330.354 1.534 20 0 EDADMP C[N@H+](CCCCNC(=S)NCCC[NH+]1CCOCC1)C1CC1 ZINC000840837033 594819593 /nfs/dbraw/zinc/81/95/93/594819593.db2.gz NUGVKNNAWUYYIT-UHFFFAOYSA-N 2 1 328.526 1.047 20 0 EDADMP C[N@@H+](CCCCNC(=S)NCCC[NH+]1CCOCC1)C1CC1 ZINC000840837033 594819594 /nfs/dbraw/zinc/81/95/94/594819594.db2.gz NUGVKNNAWUYYIT-UHFFFAOYSA-N 2 1 328.526 1.047 20 0 EDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841944173 594986685 /nfs/dbraw/zinc/98/66/85/594986685.db2.gz BLVPAPVYMNOWMQ-MJGOQNOKSA-N 2 1 346.475 1.017 20 0 EDADMP Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)C2=O)cc1 ZINC000842474982 595114491 /nfs/dbraw/zinc/11/44/91/595114491.db2.gz HBPWNGAGHGWTQR-ZWKOTPCHSA-N 2 1 328.460 1.080 20 0 EDADMP C[N@@H+](CC(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCSC1 ZINC000834786300 595211674 /nfs/dbraw/zinc/21/16/74/595211674.db2.gz OFJJFRHBWOMDTK-ISXOHVOVSA-N 2 1 325.522 1.947 20 0 EDADMP COc1cccc2cc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)oc21 ZINC000843047962 595273824 /nfs/dbraw/zinc/27/38/24/595273824.db2.gz FAFVKHMEQUCOKZ-CQSZACIVSA-N 2 1 331.416 1.728 20 0 EDADMP C[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000844177255 595292856 /nfs/dbraw/zinc/29/28/56/595292856.db2.gz DQQFJBXJLAIVDV-CRAIPNDOSA-N 2 1 331.460 1.318 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cn1 ZINC000846672365 595297704 /nfs/dbraw/zinc/29/77/04/595297704.db2.gz GCIWUICLVUDRBC-CVEARBPZSA-N 2 1 325.416 1.723 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NCCCCCC[NH3+])c2ccccc2)CC1 ZINC000844201018 595301278 /nfs/dbraw/zinc/30/12/78/595301278.db2.gz KHLAVAQYIDBPAZ-GOSISDBHSA-N 2 1 332.492 1.610 20 0 EDADMP C[C@](C[NH3+])([NH2+]CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000844220503 595305742 /nfs/dbraw/zinc/30/57/42/595305742.db2.gz GBTWFXUIEWYTAP-LJQANCHMSA-N 2 1 346.475 1.569 20 0 EDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846809006 595319460 /nfs/dbraw/zinc/31/94/60/595319460.db2.gz OKQMTHARNHEDEK-YOEHRIQHSA-N 2 1 327.469 1.242 20 0 EDADMP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000846836327 595323614 /nfs/dbraw/zinc/32/36/14/595323614.db2.gz PFZZRXGIRZPJRM-BZUAXINKSA-N 2 1 343.512 1.924 20 0 EDADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000846836327 595323616 /nfs/dbraw/zinc/32/36/16/595323616.db2.gz PFZZRXGIRZPJRM-BZUAXINKSA-N 2 1 343.512 1.924 20 0 EDADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000846836327 595323619 /nfs/dbraw/zinc/32/36/19/595323619.db2.gz PFZZRXGIRZPJRM-BZUAXINKSA-N 2 1 343.512 1.924 20 0 EDADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000846845660 595325379 /nfs/dbraw/zinc/32/53/79/595325379.db2.gz LLUBGEYETWKLEB-RBUKOAKNSA-N 2 1 336.476 1.683 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000846845660 595325382 /nfs/dbraw/zinc/32/53/82/595325382.db2.gz LLUBGEYETWKLEB-RBUKOAKNSA-N 2 1 336.476 1.683 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000849104034 595482215 /nfs/dbraw/zinc/48/22/15/595482215.db2.gz JRDGWPFGPTUPTR-HOTGVXAUSA-N 3 1 325.501 1.086 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000849104034 595482217 /nfs/dbraw/zinc/48/22/17/595482217.db2.gz JRDGWPFGPTUPTR-HOTGVXAUSA-N 3 1 325.501 1.086 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000849104034 595482219 /nfs/dbraw/zinc/48/22/19/595482219.db2.gz JRDGWPFGPTUPTR-HOTGVXAUSA-N 3 1 325.501 1.086 20 0 EDADMP CC(C)(C)O[C@@H]1C[C@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C1(C)C ZINC000849117760 595484838 /nfs/dbraw/zinc/48/48/38/595484838.db2.gz UJQSGRCSNDOELF-LSDHHAIUSA-N 2 1 340.512 1.805 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NCCC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849480961 595546558 /nfs/dbraw/zinc/54/65/58/595546558.db2.gz IKDZCTJVROGNAX-IRXDYDNUSA-N 2 1 335.496 1.302 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849487304 595548043 /nfs/dbraw/zinc/54/80/43/595548043.db2.gz OPPCHWBSHXFRAJ-IAGOWNOFSA-N 2 1 349.523 1.690 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC[NH+](C)C2CCCC2)cn1 ZINC000849522717 595557854 /nfs/dbraw/zinc/55/78/54/595557854.db2.gz NOVAIATUDBNLIJ-ZWKOTPCHSA-N 2 1 347.507 1.446 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)NCC[N@H+](C)C2CCCC2)cn1 ZINC000849522717 595557858 /nfs/dbraw/zinc/55/78/58/595557858.db2.gz NOVAIATUDBNLIJ-ZWKOTPCHSA-N 2 1 347.507 1.446 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)NCC[N@@H+](C)C2CCCC2)cn1 ZINC000849522717 595557862 /nfs/dbraw/zinc/55/78/62/595557862.db2.gz NOVAIATUDBNLIJ-ZWKOTPCHSA-N 2 1 347.507 1.446 20 0 EDADMP CC(C)[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)C1 ZINC000849575097 595577393 /nfs/dbraw/zinc/57/73/93/595577393.db2.gz BWOYVMRVVRRUEU-ROUUACIJSA-N 2 1 347.507 1.443 20 0 EDADMP CC(C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)C1 ZINC000849575097 595577394 /nfs/dbraw/zinc/57/73/94/595577394.db2.gz BWOYVMRVVRRUEU-ROUUACIJSA-N 2 1 347.507 1.443 20 0 EDADMP [NH3+]C[C@H]1CC(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)=NO1 ZINC000852861744 595583300 /nfs/dbraw/zinc/58/33/00/595583300.db2.gz IIKAZBGLCZKIDS-HZPDHXFCSA-N 2 1 330.432 1.118 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849598333 595588181 /nfs/dbraw/zinc/58/81/81/595588181.db2.gz ZNZUFWPIYAXFAQ-SZMVWBNQSA-N 2 1 349.523 1.692 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849598333 595588183 /nfs/dbraw/zinc/58/81/83/595588183.db2.gz ZNZUFWPIYAXFAQ-SZMVWBNQSA-N 2 1 349.523 1.692 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849598333 595588185 /nfs/dbraw/zinc/58/81/85/595588185.db2.gz ZNZUFWPIYAXFAQ-SZMVWBNQSA-N 2 1 349.523 1.692 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852870289 595589077 /nfs/dbraw/zinc/58/90/77/595589077.db2.gz CHEMJOOAERZLFE-JSSFPYSZSA-N 2 1 344.459 1.363 20 0 EDADMP C[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)CC1(C)C ZINC000858106020 595701494 /nfs/dbraw/zinc/70/14/94/595701494.db2.gz QVYCRRPPNYIBQC-MRXNPFEDSA-N 2 1 339.505 1.568 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)CC1(C)C ZINC000858106020 595701498 /nfs/dbraw/zinc/70/14/98/595701498.db2.gz QVYCRRPPNYIBQC-MRXNPFEDSA-N 2 1 339.505 1.568 20 0 EDADMP COc1cncc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000850242599 595784076 /nfs/dbraw/zinc/78/40/76/595784076.db2.gz WDJOSCOQJJTASX-GOSISDBHSA-N 2 1 327.428 1.947 20 0 EDADMP CCOC(=O)NC1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000850433847 595833614 /nfs/dbraw/zinc/83/36/14/595833614.db2.gz RSVRPYGLXAGYFA-CKUJCDMFSA-N 2 1 325.453 1.497 20 0 EDADMP CCOC(=O)NC1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000850433847 595833617 /nfs/dbraw/zinc/83/36/17/595833617.db2.gz RSVRPYGLXAGYFA-CKUJCDMFSA-N 2 1 325.453 1.497 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC3CC2(C[NH3+])C3)cn1 ZINC000851655281 595869583 /nfs/dbraw/zinc/86/95/83/595869583.db2.gz ODLYETYBPYDTPB-UHFFFAOYSA-N 2 1 326.404 1.208 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000851666776 595876042 /nfs/dbraw/zinc/87/60/42/595876042.db2.gz IUJVUEVSTHZXMG-TZMCWYRMSA-N 2 1 330.423 1.690 20 0 EDADMP NC(=O)[C@](O)(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000851861055 595951884 /nfs/dbraw/zinc/95/18/84/595951884.db2.gz NOBPDHQXKQHMEP-ZTNFWEORSA-N 2 1 343.471 1.308 20 0 EDADMP NC(=O)[C@](O)(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000851861055 595951888 /nfs/dbraw/zinc/95/18/88/595951888.db2.gz NOBPDHQXKQHMEP-ZTNFWEORSA-N 2 1 343.471 1.308 20 0 EDADMP NC(=O)[C@](O)(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000851861055 595951892 /nfs/dbraw/zinc/95/18/92/595951892.db2.gz NOBPDHQXKQHMEP-ZTNFWEORSA-N 2 1 343.471 1.308 20 0 EDADMP Cn1cc(N2CC[C@@H]([N@H+](C)Cc3ccc(C[NH+](C)C)cc3)C2=O)cn1 ZINC000859215183 596007045 /nfs/dbraw/zinc/00/70/45/596007045.db2.gz XRLKVHPEBIPQLC-GOSISDBHSA-N 2 1 341.459 1.719 20 0 EDADMP Cn1cc(N2CC[C@@H]([N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)C2=O)cn1 ZINC000859215183 596007048 /nfs/dbraw/zinc/00/70/48/596007048.db2.gz XRLKVHPEBIPQLC-GOSISDBHSA-N 2 1 341.459 1.719 20 0 EDADMP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c2C1 ZINC000861540633 596020994 /nfs/dbraw/zinc/02/09/94/596020994.db2.gz OZZIODLQDROPDT-ZIAGYGMSSA-N 2 1 346.475 1.791 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)N3CCCC3)C2)ccn1 ZINC000856586148 596021990 /nfs/dbraw/zinc/02/19/90/596021990.db2.gz OVOIZSYQAGPDJL-GOSISDBHSA-N 2 1 346.475 1.609 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)N3CCCC3)C2)ccn1 ZINC000856586148 596021996 /nfs/dbraw/zinc/02/19/96/596021996.db2.gz OVOIZSYQAGPDJL-GOSISDBHSA-N 2 1 346.475 1.609 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)ccn1 ZINC000856586148 596022000 /nfs/dbraw/zinc/02/20/00/596022000.db2.gz OVOIZSYQAGPDJL-GOSISDBHSA-N 2 1 346.475 1.609 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)ccn1 ZINC000856586148 596022005 /nfs/dbraw/zinc/02/20/05/596022005.db2.gz OVOIZSYQAGPDJL-GOSISDBHSA-N 2 1 346.475 1.609 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)C(=O)N(C)C)C2)ccn1 ZINC000856596030 596028600 /nfs/dbraw/zinc/02/86/00/596028600.db2.gz PTKHKIFZFCMJQA-WMLDXEAASA-N 2 1 334.464 1.463 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)ccn1 ZINC000856596030 596028604 /nfs/dbraw/zinc/02/86/04/596028604.db2.gz PTKHKIFZFCMJQA-WMLDXEAASA-N 2 1 334.464 1.463 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)ccn1 ZINC000856596030 596028608 /nfs/dbraw/zinc/02/86/08/596028608.db2.gz PTKHKIFZFCMJQA-WMLDXEAASA-N 2 1 334.464 1.463 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000857110937 596159512 /nfs/dbraw/zinc/15/95/12/596159512.db2.gz XGSXAHYDANLVDC-YJBOKZPZSA-N 2 1 334.464 1.002 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000852629483 596212980 /nfs/dbraw/zinc/21/29/80/596212980.db2.gz CJNMXHOEABDYEX-IAGOWNOFSA-N 2 1 338.496 1.413 20 0 EDADMP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000852652906 596219520 /nfs/dbraw/zinc/21/95/20/596219520.db2.gz HODMFFIYOXGLGV-OAHLLOKOSA-N 2 1 328.420 1.455 20 0 EDADMP CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000852652906 596219522 /nfs/dbraw/zinc/21/95/22/596219522.db2.gz HODMFFIYOXGLGV-OAHLLOKOSA-N 2 1 328.420 1.455 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000866711333 596305232 /nfs/dbraw/zinc/30/52/32/596305232.db2.gz IGOBIUQRJBOVSQ-FGTMMUONSA-N 2 1 327.428 1.931 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)c2)CCO1 ZINC000870873345 596385247 /nfs/dbraw/zinc/38/52/47/596385247.db2.gz BOMYJJHOXAWRHB-QKUWSGOFSA-N 2 1 343.471 1.651 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)c2)CCO1 ZINC000870873345 596385250 /nfs/dbraw/zinc/38/52/50/596385250.db2.gz BOMYJJHOXAWRHB-QKUWSGOFSA-N 2 1 343.471 1.651 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870890212 596392145 /nfs/dbraw/zinc/39/21/45/596392145.db2.gz JWFKKWJCYXWWCB-ULQDDVLXSA-N 2 1 345.491 1.226 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CC[NH2+]CC1 ZINC000870986846 596430557 /nfs/dbraw/zinc/43/05/57/596430557.db2.gz QLXXUWZKTLOHIO-YJBOKZPZSA-N 2 1 330.476 1.798 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[NH+]1CCCCC1 ZINC000869782121 596634281 /nfs/dbraw/zinc/63/42/81/596634281.db2.gz HEVCYDYUZOQROT-JKSUJKDBSA-N 2 1 325.497 1.458 20 0 EDADMP C[C@H]1C[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000871599476 596649070 /nfs/dbraw/zinc/64/90/70/596649070.db2.gz QQVCBNRZSBWTDS-WMLDXEAASA-N 2 1 329.444 1.685 20 0 EDADMP C[C@H]1C[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000871599476 596649072 /nfs/dbraw/zinc/64/90/72/596649072.db2.gz QQVCBNRZSBWTDS-WMLDXEAASA-N 2 1 329.444 1.685 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868185847 596715277 /nfs/dbraw/zinc/71/52/77/596715277.db2.gz GWIAQLSRWXZUOV-IXDOHACOSA-N 2 1 332.448 1.734 20 0 EDADMP CN1CC[NH+](C2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000868209624 596724940 /nfs/dbraw/zinc/72/49/40/596724940.db2.gz DQPJRPUSWFOWIK-MSOLQXFVSA-N 2 1 349.523 1.035 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000868227179 596735452 /nfs/dbraw/zinc/73/54/52/596735452.db2.gz VTGUXZXGNMJSJC-LTIDMASMSA-N 2 1 342.443 1.183 20 0 EDADMP C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000870121500 596759585 /nfs/dbraw/zinc/75/95/85/596759585.db2.gz DYSXXWAMOWUSPI-MJGOQNOKSA-N 2 1 342.487 1.282 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000870121500 596759590 /nfs/dbraw/zinc/75/95/90/596759590.db2.gz DYSXXWAMOWUSPI-MJGOQNOKSA-N 2 1 342.487 1.282 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CCSC1 ZINC000868356331 596798500 /nfs/dbraw/zinc/79/85/00/596798500.db2.gz VBEUQKVMGWTQAO-FUHWJXTLSA-N 2 1 348.516 1.910 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CCSC1 ZINC000868356331 596798506 /nfs/dbraw/zinc/79/85/06/596798506.db2.gz VBEUQKVMGWTQAO-FUHWJXTLSA-N 2 1 348.516 1.910 20 0 EDADMP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000872145977 596810219 /nfs/dbraw/zinc/81/02/19/596810219.db2.gz BBGRIVBWMZEIOI-KURKYZTESA-N 2 1 337.508 1.508 20 0 EDADMP O[C@]1(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH+](Cc2ccccc2)C1 ZINC000872200285 596833216 /nfs/dbraw/zinc/83/32/16/596833216.db2.gz YZAPUNWDNCYBEI-UFYCRDLUSA-N 2 1 345.487 1.076 20 0 EDADMP O[C@]1(CNC[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@H+](Cc2ccccc2)C1 ZINC000872200285 596833217 /nfs/dbraw/zinc/83/32/17/596833217.db2.gz YZAPUNWDNCYBEI-UFYCRDLUSA-N 2 1 345.487 1.076 20 0 EDADMP O[C@]1(CNC[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000872200285 596833218 /nfs/dbraw/zinc/83/32/18/596833218.db2.gz YZAPUNWDNCYBEI-UFYCRDLUSA-N 2 1 345.487 1.076 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000120026031 596877581 /nfs/dbraw/zinc/87/75/81/596877581.db2.gz QZTKTMQXBRDXNT-IYBDPMFKSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000866413954 596880115 /nfs/dbraw/zinc/88/01/15/596880115.db2.gz XJIHADMRBZWDPU-OCCSQVGLSA-N 2 1 333.432 1.513 20 0 EDADMP Cn1c(Cl)ncc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000874154936 596943699 /nfs/dbraw/zinc/94/36/99/596943699.db2.gz PSWXMDVWTOTPBN-UHFFFAOYSA-N 2 1 334.811 1.473 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000875714233 596958093 /nfs/dbraw/zinc/95/80/93/596958093.db2.gz UHGUOEDWBGSSAR-JYJNAYRXSA-N 2 1 342.553 1.653 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000875714233 596958094 /nfs/dbraw/zinc/95/80/94/596958094.db2.gz UHGUOEDWBGSSAR-JYJNAYRXSA-N 2 1 342.553 1.653 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C[NH+]3CCCC3)c2)CCO1 ZINC000874186767 596960998 /nfs/dbraw/zinc/96/09/98/596960998.db2.gz QCVNRLBURKPWGJ-INIZCTEOSA-N 2 1 331.460 1.619 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C[NH+]3CCCC3)c2)CCO1 ZINC000874186767 596960999 /nfs/dbraw/zinc/96/09/99/596960999.db2.gz QCVNRLBURKPWGJ-INIZCTEOSA-N 2 1 331.460 1.619 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H](C3CCC3)CC1)C2=O ZINC000872701343 597037143 /nfs/dbraw/zinc/03/71/43/597037143.db2.gz VEVSDHPFNOTFNE-INIZCTEOSA-N 2 1 348.491 1.862 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4[C@@H]3CCC[NH+]4C)cc2C1 ZINC000874365890 597037837 /nfs/dbraw/zinc/03/78/37/597037837.db2.gz TWIDAFCRPCNGEO-IRXDYDNUSA-N 2 1 342.443 1.266 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4[C@@H]3CCC[NH+]4C)cc2C1 ZINC000874365890 597037841 /nfs/dbraw/zinc/03/78/41/597037841.db2.gz TWIDAFCRPCNGEO-IRXDYDNUSA-N 2 1 342.443 1.266 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4C)cc2C1 ZINC000874365890 597037845 /nfs/dbraw/zinc/03/78/45/597037845.db2.gz TWIDAFCRPCNGEO-IRXDYDNUSA-N 2 1 342.443 1.266 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4C)cc2C1 ZINC000874365890 597037849 /nfs/dbraw/zinc/03/78/49/597037849.db2.gz TWIDAFCRPCNGEO-IRXDYDNUSA-N 2 1 342.443 1.266 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000874432101 597075595 /nfs/dbraw/zinc/07/55/95/597075595.db2.gz GOJGCDDAIPFEMW-YQVWRLOYSA-N 2 1 328.460 1.512 20 0 EDADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1C ZINC000873079070 597183672 /nfs/dbraw/zinc/18/36/72/597183672.db2.gz BJVLEPVRROUNTH-RDJZCZTQSA-N 2 1 335.448 1.279 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3C[C@@H]4CCC[C@@H]4O3)cn2)CC1 ZINC000873157176 597214046 /nfs/dbraw/zinc/21/40/46/597214046.db2.gz SSHGQQZLZNRRBI-ULQDDVLXSA-N 2 1 331.464 1.276 20 0 EDADMP CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873210684 597228655 /nfs/dbraw/zinc/22/86/55/597228655.db2.gz OHYHXSWWCORNTJ-AWEZNQCLSA-N 2 1 328.503 1.793 20 0 EDADMP CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873210684 597228658 /nfs/dbraw/zinc/22/86/58/597228658.db2.gz OHYHXSWWCORNTJ-AWEZNQCLSA-N 2 1 328.503 1.793 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)cn1 ZINC000876720432 597304146 /nfs/dbraw/zinc/30/41/46/597304146.db2.gz IGYNNZNCMOSQMH-XMMPIXPASA-N 2 1 347.444 1.015 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000876729397 597309672 /nfs/dbraw/zinc/30/96/72/597309672.db2.gz LSIXFONIBAZFGY-XJKSGUPXSA-N 2 1 344.463 1.687 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876742372 597317466 /nfs/dbraw/zinc/31/74/66/597317466.db2.gz XKTFDNPYFCVWBW-AJNGGQMLSA-N 2 1 329.435 1.939 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000876764999 597329345 /nfs/dbraw/zinc/32/93/45/597329345.db2.gz QCRZXCJADMKXPV-LVQVYYBASA-N 2 1 329.460 1.187 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000876777369 597336685 /nfs/dbraw/zinc/33/66/85/597336685.db2.gz WHQKNDUBDYLCHM-CQSZACIVSA-N 2 1 328.420 1.829 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000877228853 597468806 /nfs/dbraw/zinc/46/88/06/597468806.db2.gz DRWNWSVKSQOFLI-KSZLIROESA-N 2 1 331.460 1.439 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000877228853 597468810 /nfs/dbraw/zinc/46/88/10/597468810.db2.gz DRWNWSVKSQOFLI-KSZLIROESA-N 2 1 331.460 1.439 20 0 EDADMP COc1ccccc1OCC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877984151 597567967 /nfs/dbraw/zinc/56/79/67/597567967.db2.gz BBQIEPDACZJYKO-UHFFFAOYSA-N 2 1 335.448 1.216 20 0 EDADMP COc1ccccc1OCC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877984151 597567968 /nfs/dbraw/zinc/56/79/68/597567968.db2.gz BBQIEPDACZJYKO-UHFFFAOYSA-N 2 1 335.448 1.216 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000878080181 597576755 /nfs/dbraw/zinc/57/67/55/597576755.db2.gz GSRMKJGOTJQGDH-HNNXBMFYSA-N 2 1 331.464 1.654 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878099068 597578071 /nfs/dbraw/zinc/57/80/71/597578071.db2.gz QXXDWOWPECSWLK-QGZVFWFLSA-N 2 1 344.503 1.403 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+](CCCO)[C@H]2CCc3ccccc32)CC1 ZINC000878170345 597583916 /nfs/dbraw/zinc/58/39/16/597583916.db2.gz YSPLMDZEZATMLE-IBGZPJMESA-N 2 1 345.487 1.569 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H]1CCC2(CCOCC2)O1 ZINC000878315053 597594844 /nfs/dbraw/zinc/59/48/44/597594844.db2.gz DYUZXXZDRZOYAC-QGZVFWFLSA-N 2 1 325.497 1.284 20 0 EDADMP C[C@H](CCO)[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878339621 597596729 /nfs/dbraw/zinc/59/67/29/597596729.db2.gz DUXDCYDGVXGGLU-MRXNPFEDSA-N 2 1 333.476 1.470 20 0 EDADMP COC(=O)C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000878414727 597600303 /nfs/dbraw/zinc/60/03/03/597600303.db2.gz SIAQRIAOEQCDDU-PKOBYXMFSA-N 2 1 332.444 1.555 20 0 EDADMP COC(=O)C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000878414727 597600304 /nfs/dbraw/zinc/60/03/04/597600304.db2.gz SIAQRIAOEQCDDU-PKOBYXMFSA-N 2 1 332.444 1.555 20 0 EDADMP Cc1cccnc1OC1CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878521839 597622010 /nfs/dbraw/zinc/62/20/10/597622010.db2.gz FOXRZURDXXRCPK-UHFFFAOYSA-N 2 1 346.475 1.444 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(F)F)n[nH]1 ZINC000878589048 597645772 /nfs/dbraw/zinc/64/57/72/597645772.db2.gz CNSBCTMYHLNGFK-GFCCVEGCSA-N 2 1 343.422 1.835 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(c3cc[nH+]cc3)[C@H](C)C1)C2 ZINC000881634215 597666528 /nfs/dbraw/zinc/66/65/28/597666528.db2.gz XMOCKDOLCLRTTO-GDBMZVCRSA-N 2 1 339.443 1.886 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CC1 ZINC000878677624 597675544 /nfs/dbraw/zinc/67/55/44/597675544.db2.gz JYZBLVZMMZZPQZ-SJORKVTESA-N 2 1 335.492 1.478 20 0 EDADMP CC(C)C[N@H+](Cc1nc(N)nc(N(C)C)n1)CC1CC[NH+](C)CC1 ZINC000879704282 597695291 /nfs/dbraw/zinc/69/52/91/597695291.db2.gz NIOUVAWVNLAYAM-UHFFFAOYSA-N 2 1 335.500 1.320 20 0 EDADMP CC[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCCOC1 ZINC000883353537 597723408 /nfs/dbraw/zinc/72/34/08/597723408.db2.gz WXDHNZSYHQBAAZ-SJORKVTESA-N 2 1 333.480 1.523 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000883439546 597747259 /nfs/dbraw/zinc/74/72/59/597747259.db2.gz UPXYTYPOOBBJGG-FXUDXRNXSA-N 2 1 335.448 1.345 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000879973588 597791777 /nfs/dbraw/zinc/79/17/77/597791777.db2.gz ZWRUTTZIBQYJMA-BRWVUGGUSA-N 2 1 334.464 1.323 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000879973588 597791780 /nfs/dbraw/zinc/79/17/80/597791780.db2.gz ZWRUTTZIBQYJMA-BRWVUGGUSA-N 2 1 334.464 1.323 20 0 EDADMP C[NH+]1CCC(NC(=O)C[NH+]2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC000879030473 597792049 /nfs/dbraw/zinc/79/20/49/597792049.db2.gz KDIAZICMDCJLCE-UHFFFAOYSA-N 2 1 349.450 1.879 20 0 EDADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000883585583 597813774 /nfs/dbraw/zinc/81/37/74/597813774.db2.gz RHDSKEHMXDQRHE-WBVHZDCISA-N 2 1 329.448 1.454 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883701199 597867372 /nfs/dbraw/zinc/86/73/72/597867372.db2.gz HGXYWTWNMLCHDX-RDJZCZTQSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)CCO1 ZINC000884042517 597975980 /nfs/dbraw/zinc/97/59/80/597975980.db2.gz BANWVBGVQZAEOO-XDTLVQLUSA-N 2 1 331.338 1.280 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000884180011 598016803 /nfs/dbraw/zinc/01/68/03/598016803.db2.gz JNTFBZVOQJBWTF-GOSISDBHSA-N 2 1 349.475 1.371 20 0 EDADMP C[NH2+]CCOc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000884219510 598032880 /nfs/dbraw/zinc/03/28/80/598032880.db2.gz QXKXJDVRHPGEDD-INIZCTEOSA-N 2 1 333.476 1.993 20 0 EDADMP [NH3+][C@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1C(F)(F)F ZINC000884298865 598058680 /nfs/dbraw/zinc/05/86/80/598058680.db2.gz FODROMUYTJPVMV-QWRGUYRKSA-N 2 1 337.292 1.819 20 0 EDADMP C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000884401631 598094029 /nfs/dbraw/zinc/09/40/29/598094029.db2.gz VWEGUNVWJADVQW-MSOLQXFVSA-N 2 1 333.476 1.504 20 0 EDADMP CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000884513655 598125321 /nfs/dbraw/zinc/12/53/21/598125321.db2.gz OCTCJFRDPUBJCB-MRXNPFEDSA-N 2 1 346.475 1.011 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000914150897 695162363 /nfs/dbraw/zinc/16/23/63/695162363.db2.gz ZKRIEKANMJSKCR-XIRDDKMYSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000914150897 695162364 /nfs/dbraw/zinc/16/23/64/695162364.db2.gz ZKRIEKANMJSKCR-XIRDDKMYSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000914150897 695162366 /nfs/dbraw/zinc/16/23/66/695162366.db2.gz ZKRIEKANMJSKCR-XIRDDKMYSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000914162444 695175275 /nfs/dbraw/zinc/17/52/75/695175275.db2.gz NXOBKDUQLDOGKK-YOEHRIQHSA-N 2 1 336.480 1.023 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000914162444 695175278 /nfs/dbraw/zinc/17/52/78/695175278.db2.gz NXOBKDUQLDOGKK-YOEHRIQHSA-N 2 1 336.480 1.023 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000914162444 695175279 /nfs/dbraw/zinc/17/52/79/695175279.db2.gz NXOBKDUQLDOGKK-YOEHRIQHSA-N 2 1 336.480 1.023 20 0 EDADMP Cc1nccn1CCCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000914247646 695309593 /nfs/dbraw/zinc/30/95/93/695309593.db2.gz CEGQYBOUHCQZLA-HUUCEWRRSA-N 2 1 337.493 1.461 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000914338374 695369729 /nfs/dbraw/zinc/36/97/29/695369729.db2.gz XCNIOEPPUXFWEC-OWCLPIDISA-N 2 1 340.537 1.597 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000914338374 695369731 /nfs/dbraw/zinc/36/97/31/695369731.db2.gz XCNIOEPPUXFWEC-OWCLPIDISA-N 2 1 340.537 1.597 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000914338374 695369733 /nfs/dbraw/zinc/36/97/33/695369733.db2.gz XCNIOEPPUXFWEC-OWCLPIDISA-N 2 1 340.537 1.597 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](CC)CN2CCOCC2)C1 ZINC000914338537 695370064 /nfs/dbraw/zinc/37/00/64/695370064.db2.gz YJRTZQDRUFVFEM-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000915274575 695777828 /nfs/dbraw/zinc/77/78/28/695777828.db2.gz CQGNSHKKRNYQDL-JKSUJKDBSA-N 2 1 342.553 1.436 20 0 EDADMP C[C@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000915274575 695777830 /nfs/dbraw/zinc/77/78/30/695777830.db2.gz CQGNSHKKRNYQDL-JKSUJKDBSA-N 2 1 342.553 1.436 20 0 EDADMP CO[C@H](Cc1ccccc1)C[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001031260064 696067168 /nfs/dbraw/zinc/06/71/68/696067168.db2.gz KWVMKLYMQIICOY-IEBWSBKVSA-N 2 1 345.487 1.386 20 0 EDADMP CO[C@H](Cc1ccccc1)C[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001031260064 696067175 /nfs/dbraw/zinc/06/71/75/696067175.db2.gz KWVMKLYMQIICOY-IEBWSBKVSA-N 2 1 345.487 1.386 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001015710280 696644306 /nfs/dbraw/zinc/64/43/06/696644306.db2.gz IWVHYNUBQTXPLW-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP CO[C@@H](C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001015710280 696644308 /nfs/dbraw/zinc/64/43/08/696644308.db2.gz IWVHYNUBQTXPLW-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP CO[C@@H](C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001015710280 696644310 /nfs/dbraw/zinc/64/43/10/696644310.db2.gz IWVHYNUBQTXPLW-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994253976 696656683 /nfs/dbraw/zinc/65/66/83/696656683.db2.gz OVDJQGHXJHFOBP-WBVHZDCISA-N 2 1 345.491 1.293 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1cccnc1 ZINC000994261252 696675075 /nfs/dbraw/zinc/67/50/75/696675075.db2.gz ZUTJBLISCVOBLA-WBVHZDCISA-N 2 1 328.460 1.647 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1Cc1cccnc1 ZINC000994261252 696675076 /nfs/dbraw/zinc/67/50/76/696675076.db2.gz ZUTJBLISCVOBLA-WBVHZDCISA-N 2 1 328.460 1.647 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000940008267 700109921 /nfs/dbraw/zinc/10/99/21/700109921.db2.gz GSARPZJOSMFSQX-HNNXBMFYSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(Cc2cc(C)ncn2)[C@H]1C ZINC000994425263 696847169 /nfs/dbraw/zinc/84/71/69/696847169.db2.gz RRVKUUHGFKXCAZ-WMLDXEAASA-N 2 1 342.447 1.459 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCOC2CCC2)[C@H]1C ZINC000994429377 696856837 /nfs/dbraw/zinc/85/68/37/696856837.db2.gz YLQYVAZFVGEQTO-WMLDXEAASA-N 2 1 334.464 1.730 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCOC2CCC2)[C@H]1C ZINC000994429377 696856842 /nfs/dbraw/zinc/85/68/42/696856842.db2.gz YLQYVAZFVGEQTO-WMLDXEAASA-N 2 1 334.464 1.730 20 0 EDADMP Cc1ccc(C)c(OCC[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001031577729 697274104 /nfs/dbraw/zinc/27/41/04/697274104.db2.gz OZKGOMBQDYELRO-GOSISDBHSA-N 2 1 345.487 1.824 20 0 EDADMP Cc1ccc(CCC[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001031596642 697297110 /nfs/dbraw/zinc/29/71/10/697297110.db2.gz MNZSFESVVNNCMG-IBGZPJMESA-N 2 1 345.487 1.306 20 0 EDADMP Cc1ccc(CCC[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001031596642 697297111 /nfs/dbraw/zinc/29/71/11/697297111.db2.gz MNZSFESVVNNCMG-IBGZPJMESA-N 2 1 345.487 1.306 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000919627372 697304741 /nfs/dbraw/zinc/30/47/41/697304741.db2.gz KMEDOJFEIQJINJ-DOTOQJQBSA-N 2 1 336.480 1.023 20 0 EDADMP CC(=O)NCCCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000930096766 697329446 /nfs/dbraw/zinc/32/94/46/697329446.db2.gz UGEFDWAHCNQHHB-DFNIBXOVSA-N 2 1 336.524 1.536 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000919830659 697340411 /nfs/dbraw/zinc/34/04/11/697340411.db2.gz HYOVCBOUFVGFMC-IKGGRYGDSA-N 2 1 341.521 1.361 20 0 EDADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000919830659 697340414 /nfs/dbraw/zinc/34/04/14/697340414.db2.gz HYOVCBOUFVGFMC-IKGGRYGDSA-N 2 1 341.521 1.361 20 0 EDADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000919830659 697340415 /nfs/dbraw/zinc/34/04/15/697340415.db2.gz HYOVCBOUFVGFMC-IKGGRYGDSA-N 2 1 341.521 1.361 20 0 EDADMP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)on1 ZINC000995035791 700180083 /nfs/dbraw/zinc/18/00/83/700180083.db2.gz IXALPFINCIFFED-CABCVRRESA-N 2 1 331.420 1.563 20 0 EDADMP CC[C@@H](C(=O)N1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1)[NH+](C)C ZINC000943263632 697983733 /nfs/dbraw/zinc/98/37/33/697983733.db2.gz OFDCJUOCQTWWIL-CVEARBPZSA-N 2 1 349.479 1.029 20 0 EDADMP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)no1 ZINC000995037548 700209070 /nfs/dbraw/zinc/20/90/70/700209070.db2.gz NVXPGXLQUSREJU-HUUCEWRRSA-N 2 1 331.420 1.563 20 0 EDADMP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000940111731 700226270 /nfs/dbraw/zinc/22/62/70/700226270.db2.gz NYOGQJVDIBIDKY-GOEBONIOSA-N 2 1 347.463 1.415 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]C[C@H]3CCCCO3)CC2)CC[N@H+]1C ZINC000940116833 700249019 /nfs/dbraw/zinc/24/90/19/700249019.db2.gz JHGXYGGXWHJXLZ-BRWVUGGUSA-N 2 1 337.508 1.866 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nnc(C)o3)CC2)CC[N@H+]1C ZINC000940123298 700256751 /nfs/dbraw/zinc/25/67/51/700256751.db2.gz JUHDOCXVCGKPAW-LSDHHAIUSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031766881 699066591 /nfs/dbraw/zinc/06/65/91/699066591.db2.gz NJCMMKFENBLODD-OALUTQOASA-N 2 1 342.487 1.955 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001031766881 699066594 /nfs/dbraw/zinc/06/65/94/699066594.db2.gz NJCMMKFENBLODD-OALUTQOASA-N 2 1 342.487 1.955 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001031776831 699169597 /nfs/dbraw/zinc/16/95/97/699169597.db2.gz PJIJFSBGGYXOLC-ROUUACIJSA-N 2 1 337.508 1.460 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CC2CCOCC2)[C@@H](C)C1 ZINC000939235452 699403460 /nfs/dbraw/zinc/40/34/60/699403460.db2.gz LAKLITYXQJSVMO-RDJZCZTQSA-N 2 1 348.491 1.870 20 0 EDADMP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccsc1 ZINC000939317385 699507389 /nfs/dbraw/zinc/50/73/89/699507389.db2.gz VYZXYZYCUVSJHX-GOEBONIOSA-N 2 1 337.489 1.407 20 0 EDADMP CC(C)C[NH2+][C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000939407816 699562481 /nfs/dbraw/zinc/56/24/81/699562481.db2.gz JUJBOPZLJRUFMQ-YOEHRIQHSA-N 2 1 327.432 1.973 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)s1 ZINC000939544569 699686064 /nfs/dbraw/zinc/68/60/64/699686064.db2.gz KUVJOSWCGWDLQA-OLZOCXBDSA-N 2 1 349.504 1.133 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)cc1 ZINC000939748569 699895484 /nfs/dbraw/zinc/89/54/84/699895484.db2.gz QNQXLXMANJHYLU-RDTXWAMCSA-N 2 1 342.443 1.837 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000939755533 699906704 /nfs/dbraw/zinc/90/67/04/699906704.db2.gz QSAKEQNWRBNYRC-XJKSGUPXSA-N 2 1 332.448 1.584 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001032119655 701620479 /nfs/dbraw/zinc/62/04/79/701620479.db2.gz XWVYUXRVQGODLH-FUHWJXTLSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)sn1 ZINC000939757639 699924805 /nfs/dbraw/zinc/92/48/05/699924805.db2.gz ZKYHDBSVPHIOMJ-NHYWBVRUSA-N 2 1 333.461 1.593 20 0 EDADMP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000940153990 700283740 /nfs/dbraw/zinc/28/37/40/700283740.db2.gz JTCVXNPCUMQYTQ-UHFFFAOYSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC000940178228 700311863 /nfs/dbraw/zinc/31/18/63/700311863.db2.gz DBBCOXSRIFQZSE-INIZCTEOSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C34CCC[NH+]3CCC4)CC2)n1 ZINC000940200349 700358698 /nfs/dbraw/zinc/35/86/98/700358698.db2.gz MJRJIPOZRFDILN-UHFFFAOYSA-N 2 1 347.463 1.477 20 0 EDADMP Cc1ccnc(CNC[C@@H]2CC[C@@H](NC(=O)Cc3cncn3C)C2)n1 ZINC000995167528 701637745 /nfs/dbraw/zinc/63/77/45/701637745.db2.gz JUEXEVCOEZGEIL-HUUCEWRRSA-N 2 1 342.447 1.136 20 0 EDADMP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000940327957 700505205 /nfs/dbraw/zinc/50/52/05/700505205.db2.gz AWRQUFBUBXREQW-HOTGVXAUSA-N 2 1 347.507 1.571 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940972162 701014462 /nfs/dbraw/zinc/01/44/62/701014462.db2.gz JDUHBCYNUBUNSR-IAGOWNOFSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940972162 701014464 /nfs/dbraw/zinc/01/44/64/701014464.db2.gz JDUHBCYNUBUNSR-IAGOWNOFSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940972162 701014466 /nfs/dbraw/zinc/01/44/66/701014466.db2.gz JDUHBCYNUBUNSR-IAGOWNOFSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940972162 701014468 /nfs/dbraw/zinc/01/44/68/701014468.db2.gz JDUHBCYNUBUNSR-IAGOWNOFSA-N 2 1 339.524 1.968 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971832 701014607 /nfs/dbraw/zinc/01/46/07/701014607.db2.gz DIERFROVFNSOIE-HZPDHXFCSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971832 701014609 /nfs/dbraw/zinc/01/46/09/701014609.db2.gz DIERFROVFNSOIE-HZPDHXFCSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971832 701014611 /nfs/dbraw/zinc/01/46/11/701014611.db2.gz DIERFROVFNSOIE-HZPDHXFCSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971832 701014613 /nfs/dbraw/zinc/01/46/13/701014613.db2.gz DIERFROVFNSOIE-HZPDHXFCSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940973876 701016073 /nfs/dbraw/zinc/01/60/73/701016073.db2.gz YKUQQQFSUKBGRG-CVEARBPZSA-N 2 1 325.497 1.317 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CCO)CC2(C)C)C1 ZINC000940973876 701016074 /nfs/dbraw/zinc/01/60/74/701016074.db2.gz YKUQQQFSUKBGRG-CVEARBPZSA-N 2 1 325.497 1.317 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCO)CC2(C)C)C1 ZINC000940973876 701016076 /nfs/dbraw/zinc/01/60/76/701016076.db2.gz YKUQQQFSUKBGRG-CVEARBPZSA-N 2 1 325.497 1.317 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ccnn2C)CC1(C)C ZINC000941033336 701075700 /nfs/dbraw/zinc/07/57/00/701075700.db2.gz ORXVZROPIVXKEB-RDJZCZTQSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)CC1(C)C ZINC000941033336 701075702 /nfs/dbraw/zinc/07/57/02/701075702.db2.gz ORXVZROPIVXKEB-RDJZCZTQSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)CC1(C)C ZINC000941033336 701075704 /nfs/dbraw/zinc/07/57/04/701075704.db2.gz ORXVZROPIVXKEB-RDJZCZTQSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO)CC1(C)C ZINC000941075475 701102811 /nfs/dbraw/zinc/10/28/11/701102811.db2.gz MNZJBVDOWBBQJI-JKSUJKDBSA-N 2 1 325.497 1.458 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000941075475 701102812 /nfs/dbraw/zinc/10/28/12/701102812.db2.gz MNZJBVDOWBBQJI-JKSUJKDBSA-N 2 1 325.497 1.458 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941075475 701102813 /nfs/dbraw/zinc/10/28/13/701102813.db2.gz MNZJBVDOWBBQJI-JKSUJKDBSA-N 2 1 325.497 1.458 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3ccnc3)[C@H](C)C2)c(C)n1 ZINC000945806303 701196330 /nfs/dbraw/zinc/19/63/30/701196330.db2.gz BWMURLRHIXRYFJ-KDOFPFPSSA-N 2 1 341.459 1.922 20 0 EDADMP CC1(C)C[N@@H+](C[C@@H]2CCCCO2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167118 701378025 /nfs/dbraw/zinc/37/80/25/701378025.db2.gz RIYVEXDRUOCOOP-DLBZAZTESA-N 2 1 349.519 1.868 20 0 EDADMP CC1(C)C[N@@H+](C[C@H]2CCCCO2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167121 701378178 /nfs/dbraw/zinc/37/81/78/701378178.db2.gz RIYVEXDRUOCOOP-SJORKVTESA-N 2 1 349.519 1.868 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1C[NH+](CC[C@H]3CCCO3)C1)CC2 ZINC001031932168 701383354 /nfs/dbraw/zinc/38/33/54/701383354.db2.gz WIZIUKWZYGOEPQ-FUHWJXTLSA-N 2 1 346.475 1.371 20 0 EDADMP Cc1nc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)oc1C ZINC000941216564 701402859 /nfs/dbraw/zinc/40/28/59/701402859.db2.gz FASRHPXNZYHOCP-HZPDHXFCSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)oc1C ZINC000941216564 701402860 /nfs/dbraw/zinc/40/28/60/701402860.db2.gz FASRHPXNZYHOCP-HZPDHXFCSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)oc1C ZINC000941216564 701402861 /nfs/dbraw/zinc/40/28/61/701402861.db2.gz FASRHPXNZYHOCP-HZPDHXFCSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)oc1C ZINC000941216564 701402862 /nfs/dbraw/zinc/40/28/62/701402862.db2.gz FASRHPXNZYHOCP-HZPDHXFCSA-N 2 1 348.491 1.960 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC(C)C)CC2(C)C)C1 ZINC000941231768 701405570 /nfs/dbraw/zinc/40/55/70/701405570.db2.gz WLFHVAGKLWLORZ-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC(C)C)CC2(C)C)C1 ZINC000941231768 701405571 /nfs/dbraw/zinc/40/55/71/701405571.db2.gz WLFHVAGKLWLORZ-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CC(C)C)CC2(C)C)C1 ZINC000941231768 701405572 /nfs/dbraw/zinc/40/55/72/701405572.db2.gz WLFHVAGKLWLORZ-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CC(C)C)CC2(C)C)C1 ZINC000941231768 701405573 /nfs/dbraw/zinc/40/55/73/701405573.db2.gz WLFHVAGKLWLORZ-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CC1(C)C[N@@H+](C[C@@H]2CCCOC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221340 701412141 /nfs/dbraw/zinc/41/21/41/701412141.db2.gz RJAVYKVFUKBEEO-DLBZAZTESA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941405092 701519443 /nfs/dbraw/zinc/51/94/43/701519443.db2.gz ZWEIJBGNLWWMLS-GOSISDBHSA-N 2 1 334.508 1.098 20 0 EDADMP CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408539 701521215 /nfs/dbraw/zinc/52/12/15/701521215.db2.gz KFWGJJQZPMRQEN-IAGOWNOFSA-N 2 1 334.508 1.099 20 0 EDADMP CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)C1 ZINC000941436856 701540152 /nfs/dbraw/zinc/54/01/52/701540152.db2.gz JBDHGCCVMHXMSM-GOSISDBHSA-N 2 1 334.508 1.242 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941436886 701540183 /nfs/dbraw/zinc/54/01/83/701540183.db2.gz KDSCSVAFYGTAJH-SFHVURJKSA-N 2 1 334.508 1.121 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCCc2ccccc2)C1 ZINC001031975939 701932489 /nfs/dbraw/zinc/93/24/89/701932489.db2.gz CBPDWNBEPBIHMF-QFBILLFUSA-N 2 1 329.488 1.865 20 0 EDADMP Cc1ncsc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999190822 706633492 /nfs/dbraw/zinc/63/34/92/706633492.db2.gz UKXYDTPNTSSLAW-RBSFLKMASA-N 2 1 336.505 1.872 20 0 EDADMP Cc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031977541 702023919 /nfs/dbraw/zinc/02/39/19/702023919.db2.gz CQPITPPVYRGGJU-KSSFIOAISA-N 2 1 333.451 1.880 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995831866 702106997 /nfs/dbraw/zinc/10/69/97/702106997.db2.gz LZCQLODEZNGNMV-OIISXLGYSA-N 2 1 347.507 1.129 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000999221355 706651984 /nfs/dbraw/zinc/65/19/84/706651984.db2.gz ACLZCPBHAPBMJL-LRVUVFPRSA-N 2 1 349.479 1.892 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccon3)C(C)(C)C2)C1 ZINC000995886686 702223556 /nfs/dbraw/zinc/22/35/56/702223556.db2.gz RZFMRZMPPXQSLF-RDJZCZTQSA-N 2 1 348.491 1.979 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccon3)C(C)(C)C2)C1 ZINC000995886686 702223561 /nfs/dbraw/zinc/22/35/61/702223561.db2.gz RZFMRZMPPXQSLF-RDJZCZTQSA-N 2 1 348.491 1.979 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCOC2)C(C)(C)C1)C1CCC1 ZINC000995917601 702235751 /nfs/dbraw/zinc/23/57/51/702235751.db2.gz LJBCLSUUNPBFLC-WBVHZDCISA-N 2 1 337.508 1.724 20 0 EDADMP COc1ccc(OCC[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032186805 702285186 /nfs/dbraw/zinc/28/51/86/702285186.db2.gz XFGCOCUGHRHMAY-INIZCTEOSA-N 2 1 347.459 1.074 20 0 EDADMP CCn1cc(CN[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)nn1 ZINC000995986766 702349202 /nfs/dbraw/zinc/34/92/02/702349202.db2.gz ZHOLUCITRGXIGH-HZPDHXFCSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)nn1 ZINC000995986766 702349216 /nfs/dbraw/zinc/34/92/16/702349216.db2.gz ZHOLUCITRGXIGH-HZPDHXFCSA-N 2 1 348.495 1.109 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccn3)C2)CC[N@H+]1C ZINC000999208413 706661714 /nfs/dbraw/zinc/66/17/14/706661714.db2.gz MYXFRNPXMVUVNY-OKZBNKHCSA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996002488 702382373 /nfs/dbraw/zinc/38/23/73/702382373.db2.gz IZBHJFCXEZSPTO-CVEARBPZSA-N 2 1 349.479 1.517 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996002488 702382380 /nfs/dbraw/zinc/38/23/80/702382380.db2.gz IZBHJFCXEZSPTO-CVEARBPZSA-N 2 1 349.479 1.517 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)o1 ZINC000944166905 702404197 /nfs/dbraw/zinc/40/41/97/702404197.db2.gz ASXMSVOLUYBOFT-XJKSGUPXSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)cn1 ZINC000944167601 702407076 /nfs/dbraw/zinc/40/70/76/702407076.db2.gz FLNNMQDNSRRNJI-YOEHRIQHSA-N 2 1 343.475 1.207 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)cn1 ZINC000944168261 702407871 /nfs/dbraw/zinc/40/78/71/702407871.db2.gz IHWIHQNYPQRGEL-WMLDXEAASA-N 2 1 343.475 1.207 20 0 EDADMP C[C@H]1C[N@@H+](CCC(F)(F)F)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944169662 702411652 /nfs/dbraw/zinc/41/16/52/702411652.db2.gz PCSODHJDLAGIHE-QWHCGFSZSA-N 2 1 333.398 1.861 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2nccs2)C1 ZINC000995195083 702421369 /nfs/dbraw/zinc/42/13/69/702421369.db2.gz HZAKXJLPEDKANF-ZIAGYGMSSA-N 2 1 333.461 1.723 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC000996044530 702438967 /nfs/dbraw/zinc/43/89/67/702438967.db2.gz TXMRQCDETOGZAH-INIZCTEOSA-N 2 1 345.447 1.769 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944154068 702441788 /nfs/dbraw/zinc/44/17/88/702441788.db2.gz JGYQXEUZINPJNQ-WMLDXEAASA-N 2 1 346.475 1.659 20 0 EDADMP C[C@H]1C[N@H+](Cc2nccs2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944154101 702443765 /nfs/dbraw/zinc/44/37/65/702443765.db2.gz JRHFFBNLXPNBMK-UONOGXRCSA-N 2 1 334.489 1.566 20 0 EDADMP C[C@H]1C[N@@H+](Cc2nccs2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944154101 702443768 /nfs/dbraw/zinc/44/37/68/702443768.db2.gz JRHFFBNLXPNBMK-UONOGXRCSA-N 2 1 334.489 1.566 20 0 EDADMP Cc1cncc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)c1 ZINC000944155769 702449333 /nfs/dbraw/zinc/44/93/33/702449333.db2.gz QANVCRSRBVUOCS-WMZOPIPTSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ncccc2C)C1 ZINC000995197501 702456235 /nfs/dbraw/zinc/45/62/35/702456235.db2.gz LYOJEKHOKBRDJO-SJORKVTESA-N 2 1 341.459 1.970 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)nc2)C(C)(C)C1 ZINC000996042176 702458436 /nfs/dbraw/zinc/45/84/36/702458436.db2.gz KGPWVIKJWSKTJM-MRXNPFEDSA-N 2 1 342.447 1.317 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995199325 702481948 /nfs/dbraw/zinc/48/19/48/702481948.db2.gz POAUKMDYUIRMEG-WBVHZDCISA-N 2 1 344.463 1.308 20 0 EDADMP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)no1 ZINC000995205430 702623939 /nfs/dbraw/zinc/62/39/39/702623939.db2.gz ZSZGQQQMLOWHLS-CABCVRRESA-N 2 1 331.420 1.563 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)cn1 ZINC000996299651 702690126 /nfs/dbraw/zinc/69/01/26/702690126.db2.gz BVQPGNBRHSYBES-NVXWUHKLSA-N 2 1 345.491 1.596 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3nccs3)C(C)(C)C2)C1 ZINC000996299704 702690648 /nfs/dbraw/zinc/69/06/48/702690648.db2.gz CRTSKWOSOADPMO-KBPBESRZSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3nccs3)C(C)(C)C2)C1 ZINC000996299704 702690649 /nfs/dbraw/zinc/69/06/49/702690649.db2.gz CRTSKWOSOADPMO-KBPBESRZSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cscn2)C(C)(C)C1 ZINC000996300384 702691568 /nfs/dbraw/zinc/69/15/68/702691568.db2.gz LFQQEMHUABCCRF-UKRRQHHQSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cscn2)C(C)(C)C1 ZINC000996300384 702691570 /nfs/dbraw/zinc/69/15/70/702691570.db2.gz LFQQEMHUABCCRF-UKRRQHHQSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccns3)C(C)(C)C2)C1 ZINC000996300790 702692714 /nfs/dbraw/zinc/69/27/14/702692714.db2.gz OQMZIBUDIDNKGD-UKRRQHHQSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996301459 702693548 /nfs/dbraw/zinc/69/35/48/702693548.db2.gz TWIDTFDLBQUVJN-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)C(C)(C)C1 ZINC000996372929 702740483 /nfs/dbraw/zinc/74/04/83/702740483.db2.gz HWKKLOZOCQHFDV-ZIAGYGMSSA-N 2 1 349.479 1.097 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256823 702748137 /nfs/dbraw/zinc/74/81/37/702748137.db2.gz HNYDTYILRGPCIX-WBVHZDCISA-N 2 1 345.491 1.375 20 0 EDADMP CC1(C)CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000996414102 702764996 /nfs/dbraw/zinc/76/49/96/702764996.db2.gz INQHGOWSTWJAFY-KRWDZBQOSA-N 2 1 346.475 1.131 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942260053 702769472 /nfs/dbraw/zinc/76/94/72/702769472.db2.gz WLMWPFYTPORVRD-RHSMWYFYSA-N 2 1 346.475 1.938 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996465857 702793010 /nfs/dbraw/zinc/79/30/10/702793010.db2.gz ZKTNEFXMBFREAJ-AEFFLSMTSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000996562198 702876121 /nfs/dbraw/zinc/87/61/21/702876121.db2.gz WGWPNLBYTRTFKC-LRDDRELGSA-N 2 1 347.463 1.361 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996607702 702911229 /nfs/dbraw/zinc/91/12/29/702911229.db2.gz DPBVWOGNXWYBII-CVEARBPZSA-N 2 1 331.464 1.063 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000996603143 702912993 /nfs/dbraw/zinc/91/29/93/702912993.db2.gz NGWPWVZXZNBJGS-UMVBOHGHSA-N 2 1 349.479 1.614 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996603143 702912994 /nfs/dbraw/zinc/91/29/94/702912994.db2.gz NGWPWVZXZNBJGS-UMVBOHGHSA-N 2 1 349.479 1.614 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)[nH]1 ZINC000996610900 702915971 /nfs/dbraw/zinc/91/59/71/702915971.db2.gz LMLKBGOFDSIFHR-KBPBESRZSA-N 2 1 348.495 1.206 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)[nH]1 ZINC000996610900 702915972 /nfs/dbraw/zinc/91/59/72/702915972.db2.gz LMLKBGOFDSIFHR-KBPBESRZSA-N 2 1 348.495 1.206 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cc(C)on3)CC2)CC[N@H+]1C ZINC000996611863 702917322 /nfs/dbraw/zinc/91/73/22/702917322.db2.gz PBOOPARHUWFMDK-DLBZAZTESA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996614376 702919615 /nfs/dbraw/zinc/91/96/15/702919615.db2.gz MYEZXRYRISXIJJ-GOEBONIOSA-N 2 1 333.480 1.007 20 0 EDADMP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996610028 702921143 /nfs/dbraw/zinc/92/11/43/702921143.db2.gz JAYTUSUSSIRFPK-GXTWGEPZSA-N 2 1 337.493 1.125 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccn(CC)n2)CC1 ZINC000996646130 702947911 /nfs/dbraw/zinc/94/79/11/702947911.db2.gz QFHYLMMDPYGWKG-GOSISDBHSA-N 2 1 347.507 1.858 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)cn2)CC1 ZINC000996646292 702948293 /nfs/dbraw/zinc/94/82/93/702948293.db2.gz SACGBFDTAMFPHE-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP CCc1cnc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)o1 ZINC000996665414 702966996 /nfs/dbraw/zinc/96/69/96/702966996.db2.gz LOVVANGTKFIETQ-UHFFFAOYSA-N 2 1 334.464 1.802 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996675250 702974254 /nfs/dbraw/zinc/97/42/54/702974254.db2.gz FRWRJPTYPQUIDO-SFHVURJKSA-N 2 1 347.507 1.764 20 0 EDADMP CCc1noc([C@H](C)[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996678405 702977022 /nfs/dbraw/zinc/97/70/22/702977022.db2.gz NHJWWTZGCZLWQV-LRDDRELGSA-N 2 1 349.479 1.614 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996680102 702978971 /nfs/dbraw/zinc/97/89/71/702978971.db2.gz SOUFAZAZXXNBFA-INIZCTEOSA-N 2 1 349.479 1.614 20 0 EDADMP CC[C@H](C(=O)N1CCC([NH2+]Cc2nc(C3CCC3)no2)CC1)[NH+](C)C ZINC000996710789 703005561 /nfs/dbraw/zinc/00/55/61/703005561.db2.gz FPSHRBMKMBMMBG-OAHLLOKOSA-N 2 1 349.479 1.758 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000996725135 703019637 /nfs/dbraw/zinc/01/96/37/703019637.db2.gz SCILXWGPXLUKAG-KRWDZBQOSA-N 2 1 331.464 1.350 20 0 EDADMP COc1nccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000996727139 703022114 /nfs/dbraw/zinc/02/21/14/703022114.db2.gz DSGZBGMGGIZXRG-MRXNPFEDSA-N 2 1 347.463 1.050 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032026637 703044584 /nfs/dbraw/zinc/04/45/84/703044584.db2.gz HOWXEKPRTLOELX-GOSISDBHSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032026637 703044586 /nfs/dbraw/zinc/04/45/86/703044586.db2.gz HOWXEKPRTLOELX-GOSISDBHSA-N 2 1 347.507 1.539 20 0 EDADMP CCN1CC[NH+](C2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000996789494 703082025 /nfs/dbraw/zinc/08/20/25/703082025.db2.gz QLDXJISIRLDIFM-WWDZGPRUSA-N 2 1 336.524 1.393 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3cncn3C)CC2)C1 ZINC000996903176 703177629 /nfs/dbraw/zinc/17/76/29/703177629.db2.gz HTKOSVDLOFOLCP-MRXNPFEDSA-N 2 1 347.507 1.623 20 0 EDADMP CCn1nncc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000996922959 703193832 /nfs/dbraw/zinc/19/38/32/703193832.db2.gz PPXNFFCDIKRGDH-GJZGRUSLSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC000996923304 703194396 /nfs/dbraw/zinc/19/43/96/703194396.db2.gz RZJIVUHGARWVRH-YDHLFZDLSA-N 2 1 349.479 1.750 20 0 EDADMP CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000995268053 703200186 /nfs/dbraw/zinc/20/01/86/703200186.db2.gz MXZNPGJZVLOYBR-SFHVURJKSA-N 2 1 342.487 1.848 20 0 EDADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CC2CCCC2)CC1 ZINC000996994349 703251029 /nfs/dbraw/zinc/25/10/29/703251029.db2.gz XHENNHUIHZQKPZ-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CC2CCCC2)CC1 ZINC000996994349 703251032 /nfs/dbraw/zinc/25/10/32/703251032.db2.gz XHENNHUIHZQKPZ-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nnsc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000996999285 703256195 /nfs/dbraw/zinc/25/61/95/703256195.db2.gz NDTGLXRQODMICK-GFCCVEGCSA-N 2 1 337.493 1.411 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)cn1 ZINC000996999371 703256309 /nfs/dbraw/zinc/25/63/09/703256309.db2.gz NVYITBCVQSAUMB-HNNXBMFYSA-N 2 1 331.464 1.350 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)[nH]1 ZINC000997004159 703261169 /nfs/dbraw/zinc/26/11/69/703261169.db2.gz BVDMOTSMJYBWTC-ZFWWWQNUSA-N 2 1 348.495 1.206 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3cccnc3)CC2)C1 ZINC000997004513 703261604 /nfs/dbraw/zinc/26/16/04/703261604.db2.gz DMUNQEYMOJKAOA-UHFFFAOYSA-N 2 1 330.476 1.894 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997007792 703265224 /nfs/dbraw/zinc/26/52/24/703265224.db2.gz JNRVAOHEYBYOGS-HIFRSBDPSA-N 2 1 349.479 1.471 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997007792 703265225 /nfs/dbraw/zinc/26/52/25/703265225.db2.gz JNRVAOHEYBYOGS-HIFRSBDPSA-N 2 1 349.479 1.471 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000997013249 703273049 /nfs/dbraw/zinc/27/30/49/703273049.db2.gz ZFSDIGKCRVKSHZ-ZFWWWQNUSA-N 2 1 349.479 1.471 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000997013249 703273050 /nfs/dbraw/zinc/27/30/50/703273050.db2.gz ZFSDIGKCRVKSHZ-ZFWWWQNUSA-N 2 1 349.479 1.471 20 0 EDADMP Cc1ncsc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997013459 703273350 /nfs/dbraw/zinc/27/33/50/703273350.db2.gz ZPJJDJSHAIQOKU-IUODEOHRSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)n1 ZINC000997116419 703370198 /nfs/dbraw/zinc/37/01/98/703370198.db2.gz YZZXEOVEQYVRIX-AWEZNQCLSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)o1 ZINC000997181586 703466549 /nfs/dbraw/zinc/46/65/49/703466549.db2.gz BOYVHHKBRLDGHF-GOEBONIOSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC000997181629 703466561 /nfs/dbraw/zinc/46/65/61/703466561.db2.gz BZKSFLZUFMNURS-ZDUSSCGKSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997184180 703470813 /nfs/dbraw/zinc/47/08/13/703470813.db2.gz NJHQEWNUGWJLIU-QGZVFWFLSA-N 2 1 347.507 1.422 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997180768 703471213 /nfs/dbraw/zinc/47/12/13/703471213.db2.gz MULILBFUOOMLLO-QAPCUYQASA-N 2 1 347.507 1.621 20 0 EDADMP CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997228345 703504127 /nfs/dbraw/zinc/50/41/27/703504127.db2.gz GMFDNJUNQCTWMT-PSPFXIJKSA-N 2 1 335.492 1.476 20 0 EDADMP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CC1 ZINC001032702848 706751502 /nfs/dbraw/zinc/75/15/02/706751502.db2.gz AWGORCHIOGSMBT-ROUUACIJSA-N 2 1 337.427 1.966 20 0 EDADMP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CC1 ZINC001032702848 706751506 /nfs/dbraw/zinc/75/15/06/706751506.db2.gz AWGORCHIOGSMBT-ROUUACIJSA-N 2 1 337.427 1.966 20 0 EDADMP CN(C)c1cccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000997300409 703543961 /nfs/dbraw/zinc/54/39/61/703543961.db2.gz UKVVJENTACDLKR-KRWDZBQOSA-N 2 1 344.503 1.785 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(F)cc3)CC2)C1 ZINC000997335930 703563317 /nfs/dbraw/zinc/56/33/17/703563317.db2.gz MWJOWKYVHSFJRJ-GOSISDBHSA-N 2 1 349.450 1.627 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(F)cc3)CC2)C1 ZINC000997335930 703563318 /nfs/dbraw/zinc/56/33/18/703563318.db2.gz MWJOWKYVHSFJRJ-GOSISDBHSA-N 2 1 349.450 1.627 20 0 EDADMP CC(C)Cc1noc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000997307067 703565504 /nfs/dbraw/zinc/56/55/04/703565504.db2.gz MZVUYVCJWZLRQQ-UHFFFAOYSA-N 2 1 349.479 1.445 20 0 EDADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001032444258 703621323 /nfs/dbraw/zinc/62/13/23/703621323.db2.gz SMCZCORQBVSONL-GJZGRUSLSA-N 2 1 348.516 1.763 20 0 EDADMP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001032444258 703621325 /nfs/dbraw/zinc/62/13/25/703621325.db2.gz SMCZCORQBVSONL-GJZGRUSLSA-N 2 1 348.516 1.763 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCCC2)CC1 ZINC001032705858 706756449 /nfs/dbraw/zinc/75/64/49/706756449.db2.gz OFDLYRBGJFQXMI-IRXDYDNUSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCOCC1)C1CC1 ZINC001032445242 703623146 /nfs/dbraw/zinc/62/31/46/703623146.db2.gz AVSHQDBYSNTWNX-GBESFXJTSA-N 2 1 349.519 1.819 20 0 EDADMP Cc1nonc1C[NH+]1CCC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997389748 703657677 /nfs/dbraw/zinc/65/76/77/703657677.db2.gz IENKBWMQCZPNQX-CYBMUJFWSA-N 2 1 347.463 1.191 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000997421682 703670658 /nfs/dbraw/zinc/67/06/58/703670658.db2.gz PNUVUEURNIMLIZ-WBVHZDCISA-N 2 1 347.507 1.397 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000997421682 703670659 /nfs/dbraw/zinc/67/06/59/703670659.db2.gz PNUVUEURNIMLIZ-WBVHZDCISA-N 2 1 347.507 1.397 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000997612826 703910312 /nfs/dbraw/zinc/91/03/12/703910312.db2.gz KRSUMCZRBVALSR-KRWDZBQOSA-N 2 1 331.464 1.207 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nccn3C)C2)CC[N@H+]1C ZINC000999291530 706774821 /nfs/dbraw/zinc/77/48/21/706774821.db2.gz CIFAKUXUVQGODH-FXQLRMTLSA-N 2 1 333.480 1.229 20 0 EDADMP Cc1cccc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000997643632 703952147 /nfs/dbraw/zinc/95/21/47/703952147.db2.gz AZDXAEJVOCRLRB-LJQANCHMSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1cccc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000997643632 703952150 /nfs/dbraw/zinc/95/21/50/703952150.db2.gz AZDXAEJVOCRLRB-LJQANCHMSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)s1 ZINC000995550608 703954353 /nfs/dbraw/zinc/95/43/53/703954353.db2.gz JYSIKEZLPSVBLX-OLZOCXBDSA-N 2 1 337.493 1.267 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)s1 ZINC000995550608 703954357 /nfs/dbraw/zinc/95/43/57/703954357.db2.gz JYSIKEZLPSVBLX-OLZOCXBDSA-N 2 1 337.493 1.267 20 0 EDADMP Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000997645805 703957942 /nfs/dbraw/zinc/95/79/42/703957942.db2.gz STYZZZHNFCRNMZ-IBGZPJMESA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000997645805 703957943 /nfs/dbraw/zinc/95/79/43/703957943.db2.gz STYZZZHNFCRNMZ-IBGZPJMESA-N 2 1 345.487 1.654 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]Cc3cccc(F)c3)CC2)C1 ZINC000997646256 703959434 /nfs/dbraw/zinc/95/94/34/703959434.db2.gz UZUHTJKNCQDLJH-GOSISDBHSA-N 2 1 349.450 1.485 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]Cc3cccc(F)c3)CC2)C1 ZINC000997646256 703959439 /nfs/dbraw/zinc/95/94/39/703959439.db2.gz UZUHTJKNCQDLJH-GOSISDBHSA-N 2 1 349.450 1.485 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCCO1 ZINC001032522320 703969256 /nfs/dbraw/zinc/96/92/56/703969256.db2.gz YOLATKWUHRNKPE-YESZJQIVSA-N 2 1 332.448 1.436 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCCCO1 ZINC001032522320 703969259 /nfs/dbraw/zinc/96/92/59/703969259.db2.gz YOLATKWUHRNKPE-YESZJQIVSA-N 2 1 332.448 1.436 20 0 EDADMP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995555536 703975266 /nfs/dbraw/zinc/97/52/66/703975266.db2.gz ZYUVCQDMFLEXCM-IRXDYDNUSA-N 2 1 348.491 1.966 20 0 EDADMP CC(C)(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529443 704025691 /nfs/dbraw/zinc/02/56/91/704025691.db2.gz IFUCSQLPLRLYLR-YTIFWKSRSA-N 2 1 347.503 1.571 20 0 EDADMP CC(C)(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001032529443 704025696 /nfs/dbraw/zinc/02/56/96/704025696.db2.gz IFUCSQLPLRLYLR-YTIFWKSRSA-N 2 1 347.503 1.571 20 0 EDADMP CC(C)(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032529443 704025700 /nfs/dbraw/zinc/02/57/00/704025700.db2.gz IFUCSQLPLRLYLR-YTIFWKSRSA-N 2 1 347.503 1.571 20 0 EDADMP CN(C(=O)c1cc([C@@H]2CCCN2C)[nH]n1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033094725 704178390 /nfs/dbraw/zinc/17/83/90/704178390.db2.gz IQJPCSMHNNBYSX-YOEHRIQHSA-N 2 1 331.464 1.733 20 0 EDADMP CN(C(=O)c1cc([C@@H]2CCCN2C)n[nH]1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033094725 704178392 /nfs/dbraw/zinc/17/83/92/704178392.db2.gz IQJPCSMHNNBYSX-YOEHRIQHSA-N 2 1 331.464 1.733 20 0 EDADMP CN(C(=O)c1cc([C@@H]2CCCN2C)n[nH]1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033094725 704178395 /nfs/dbraw/zinc/17/83/95/704178395.db2.gz IQJPCSMHNNBYSX-YOEHRIQHSA-N 2 1 331.464 1.733 20 0 EDADMP CN(C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033094725 704178396 /nfs/dbraw/zinc/17/83/96/704178396.db2.gz IQJPCSMHNNBYSX-YOEHRIQHSA-N 2 1 331.464 1.733 20 0 EDADMP CN(C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033094725 704178398 /nfs/dbraw/zinc/17/83/98/704178398.db2.gz IQJPCSMHNNBYSX-YOEHRIQHSA-N 2 1 331.464 1.733 20 0 EDADMP CN(C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033094725 704178400 /nfs/dbraw/zinc/17/84/00/704178400.db2.gz IQJPCSMHNNBYSX-YOEHRIQHSA-N 2 1 331.464 1.733 20 0 EDADMP CN(C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033094725 704178403 /nfs/dbraw/zinc/17/84/03/704178403.db2.gz IQJPCSMHNNBYSX-YOEHRIQHSA-N 2 1 331.464 1.733 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ocnc3C)C2)CC[N@@H+]1C ZINC001033098274 704214101 /nfs/dbraw/zinc/21/41/01/704214101.db2.gz DBNCYRRRZUPKNV-OWCLPIDISA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ocnc3C)C2)CC[N@H+]1C ZINC001033098274 704214103 /nfs/dbraw/zinc/21/41/03/704214103.db2.gz DBNCYRRRZUPKNV-OWCLPIDISA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ocnc3C)C2)CC[NH+]1C ZINC001033098274 704214106 /nfs/dbraw/zinc/21/41/06/704214106.db2.gz DBNCYRRRZUPKNV-OWCLPIDISA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ocnc3C)C2)CC[NH+]1C ZINC001033098274 704214109 /nfs/dbraw/zinc/21/41/09/704214109.db2.gz DBNCYRRRZUPKNV-OWCLPIDISA-N 2 1 334.464 1.746 20 0 EDADMP O=C([C@@H]1C[C@@H]2CCCC[NH+]2C1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946592696 704230480 /nfs/dbraw/zinc/23/04/80/704230480.db2.gz USINFWYQICIKNQ-HCXYKTFWSA-N 2 1 349.519 1.414 20 0 EDADMP O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946592696 704230482 /nfs/dbraw/zinc/23/04/82/704230482.db2.gz USINFWYQICIKNQ-HCXYKTFWSA-N 2 1 349.519 1.414 20 0 EDADMP O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946592696 704230485 /nfs/dbraw/zinc/23/04/85/704230485.db2.gz USINFWYQICIKNQ-HCXYKTFWSA-N 2 1 349.519 1.414 20 0 EDADMP CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598129 704298792 /nfs/dbraw/zinc/29/87/92/704298792.db2.gz YKJFLHYXMZDZTR-XDNAFOTISA-N 2 1 335.492 1.430 20 0 EDADMP CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598129 704298793 /nfs/dbraw/zinc/29/87/93/704298793.db2.gz YKJFLHYXMZDZTR-XDNAFOTISA-N 2 1 335.492 1.430 20 0 EDADMP CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598129 704298795 /nfs/dbraw/zinc/29/87/95/704298795.db2.gz YKJFLHYXMZDZTR-XDNAFOTISA-N 2 1 335.492 1.430 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NC[C@H](C)[NH+](C)C)C2)[C@@H]1C(C)C ZINC000922743380 704309925 /nfs/dbraw/zinc/30/99/25/704309925.db2.gz PNRVIOOMWGXOSJ-QXUSFIETSA-N 2 1 340.512 1.106 20 0 EDADMP CCO[C@H](C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)C[NH+](C)C ZINC000922755719 704315461 /nfs/dbraw/zinc/31/54/61/704315461.db2.gz GFYRUUNQUCYKOQ-HUUCEWRRSA-N 2 1 329.485 1.942 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2Cc2ccon2)CC1 ZINC001004366058 704332791 /nfs/dbraw/zinc/33/27/91/704332791.db2.gz AGNIONISSAYCJZ-MSOLQXFVSA-N 2 1 346.475 1.972 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2Cc2ccon2)CC1 ZINC001004366058 704332794 /nfs/dbraw/zinc/33/27/94/704332794.db2.gz AGNIONISSAYCJZ-MSOLQXFVSA-N 2 1 346.475 1.972 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2Cc2ccon2)CC1 ZINC001004366058 704332798 /nfs/dbraw/zinc/33/27/98/704332798.db2.gz AGNIONISSAYCJZ-MSOLQXFVSA-N 2 1 346.475 1.972 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@H]1CCSC1 ZINC000922875794 704443661 /nfs/dbraw/zinc/44/36/61/704443661.db2.gz NSULGUGNQKLAET-INIZCTEOSA-N 2 1 341.521 1.183 20 0 EDADMP CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001004455739 704449298 /nfs/dbraw/zinc/44/92/98/704449298.db2.gz AIWGXEXNHXIKLZ-ROUUACIJSA-N 2 1 347.507 1.536 20 0 EDADMP CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001004455739 704449299 /nfs/dbraw/zinc/44/92/99/704449299.db2.gz AIWGXEXNHXIKLZ-ROUUACIJSA-N 2 1 347.507 1.536 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997821595 704741746 /nfs/dbraw/zinc/74/17/46/704741746.db2.gz NBQUFLQOAPEGQG-QGZVFWFLSA-N 2 1 334.464 1.877 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)nn1C ZINC000997829877 704748321 /nfs/dbraw/zinc/74/83/21/704748321.db2.gz DRHYAHSRJIWDNN-UHFFFAOYSA-N 2 1 347.507 1.541 20 0 EDADMP Cn1cncc1C[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000997832132 704750284 /nfs/dbraw/zinc/75/02/84/704750284.db2.gz ZUSZWQGAUFONJQ-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1C ZINC000944946656 704799754 /nfs/dbraw/zinc/79/97/54/704799754.db2.gz YCLKRHJXRIPISD-IUODEOHRSA-N 2 1 333.461 1.675 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2cnc(C)cn2)CC1 ZINC000997916431 704982469 /nfs/dbraw/zinc/98/24/69/704982469.db2.gz UDTHNKMOEGUQIT-UHFFFAOYSA-N 2 1 342.447 1.318 20 0 EDADMP CCn1ncnc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000998083107 705311758 /nfs/dbraw/zinc/31/17/58/705311758.db2.gz VAAOQBPKWMOMNG-HNNXBMFYSA-N 2 1 348.495 1.111 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000998122601 705375352 /nfs/dbraw/zinc/37/53/52/705375352.db2.gz APUCCBUHADPUTC-QGZVFWFLSA-N 2 1 348.491 1.871 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](Cc2nonc2C)CC1 ZINC000998190523 705490093 /nfs/dbraw/zinc/49/00/93/705490093.db2.gz QOFOYOWURMJVEA-CVEARBPZSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@@H+](Cc2nonc2C)CC1 ZINC000998190523 705490096 /nfs/dbraw/zinc/49/00/96/705490096.db2.gz QOFOYOWURMJVEA-CVEARBPZSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](Cc2nonc2C)CC1 ZINC000998190523 705490098 /nfs/dbraw/zinc/49/00/98/705490098.db2.gz QOFOYOWURMJVEA-CVEARBPZSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](Cc2nonc2C)CC1 ZINC000998190523 705490103 /nfs/dbraw/zinc/49/01/03/705490103.db2.gz QOFOYOWURMJVEA-CVEARBPZSA-N 2 1 349.479 1.533 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1nncn1C ZINC000998216735 705538579 /nfs/dbraw/zinc/53/85/79/705538579.db2.gz KHUOLSFHCFMRLM-HOCLYGCPSA-N 2 1 348.495 1.046 20 0 EDADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H]2CC[NH+](C)[C@H]2C)C1 ZINC000925343273 705575929 /nfs/dbraw/zinc/57/59/29/705575929.db2.gz HKHQIWFKIVNNFY-BQJWPVKWSA-N 2 1 338.496 1.362 20 0 EDADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000925343273 705575932 /nfs/dbraw/zinc/57/59/32/705575932.db2.gz HKHQIWFKIVNNFY-BQJWPVKWSA-N 2 1 338.496 1.362 20 0 EDADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)C1 ZINC000925343273 705575935 /nfs/dbraw/zinc/57/59/35/705575935.db2.gz HKHQIWFKIVNNFY-BQJWPVKWSA-N 2 1 338.496 1.362 20 0 EDADMP CCC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C(F)(F)F ZINC000998283450 705677927 /nfs/dbraw/zinc/67/79/27/705677927.db2.gz WFRAGHCMYBFRCY-OLZOCXBDSA-N 2 1 332.370 1.971 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000998721118 706148166 /nfs/dbraw/zinc/14/81/66/706148166.db2.gz LOPPFIYTIVHGTL-GDBMZVCRSA-N 2 1 336.867 1.910 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000998719999 706151852 /nfs/dbraw/zinc/15/18/52/706151852.db2.gz HSUGOKDLNGHAAQ-HUUCEWRRSA-N 2 1 332.448 1.727 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000998719999 706151855 /nfs/dbraw/zinc/15/18/55/706151855.db2.gz HSUGOKDLNGHAAQ-HUUCEWRRSA-N 2 1 332.448 1.727 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000998762422 706200571 /nfs/dbraw/zinc/20/05/71/706200571.db2.gz DWZIOUXJDNLXPQ-JCYILVPMSA-N 2 1 333.480 1.372 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(CO)cc3)C2)CC[N@H+]1C ZINC000998791547 706238347 /nfs/dbraw/zinc/23/83/47/706238347.db2.gz OERDWZQZKBWAMI-YOODTLSXSA-N 2 1 345.487 1.598 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cncs3)C2)CC[N@H+]1C ZINC000998791758 706238448 /nfs/dbraw/zinc/23/84/48/706238448.db2.gz QYCXKVHBEPJIAK-FPCDFSMTSA-N 2 1 336.505 1.952 20 0 EDADMP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000998791442 706238528 /nfs/dbraw/zinc/23/85/28/706238528.db2.gz LYWZFJNYISNKFW-AQEOSJORSA-N 2 1 347.507 1.419 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000998792451 706239071 /nfs/dbraw/zinc/23/90/71/706239071.db2.gz XTQNGHGGAIAYFL-BLYZHGLHSA-N 2 1 335.452 1.051 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000998792451 706239073 /nfs/dbraw/zinc/23/90/73/706239073.db2.gz XTQNGHGGAIAYFL-BLYZHGLHSA-N 2 1 335.452 1.051 20 0 EDADMP CCc1noc(CNC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)n1 ZINC000998793426 706240562 /nfs/dbraw/zinc/24/05/62/706240562.db2.gz IDOBRDDVSYXVDA-PFSRBDOWSA-N 2 1 349.479 1.441 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1 ZINC000998793426 706240566 /nfs/dbraw/zinc/24/05/66/706240566.db2.gz IDOBRDDVSYXVDA-PFSRBDOWSA-N 2 1 349.479 1.441 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)n1 ZINC000998793426 706240569 /nfs/dbraw/zinc/24/05/69/706240569.db2.gz IDOBRDDVSYXVDA-PFSRBDOWSA-N 2 1 349.479 1.441 20 0 EDADMP Cc1ccc(F)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998831234 706261026 /nfs/dbraw/zinc/26/10/26/706261026.db2.gz ZVJDYEIKCWJPDL-MSOLQXFVSA-N 2 1 349.450 1.545 20 0 EDADMP Cc1ccc(F)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998831234 706261029 /nfs/dbraw/zinc/26/10/29/706261029.db2.gz ZVJDYEIKCWJPDL-MSOLQXFVSA-N 2 1 349.450 1.545 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC000998827238 706274260 /nfs/dbraw/zinc/27/42/60/706274260.db2.gz RALWXVHOCSSLJK-ROUUACIJSA-N 2 1 349.450 1.567 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC000998827238 706274262 /nfs/dbraw/zinc/27/42/62/706274262.db2.gz RALWXVHOCSSLJK-ROUUACIJSA-N 2 1 349.450 1.567 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnsn2)C1 ZINC000998864982 706294889 /nfs/dbraw/zinc/29/48/89/706294889.db2.gz DHAMTUAWUCSZQR-ZALBZXLWSA-N 2 1 337.493 1.492 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnsn2)C1 ZINC000998864982 706294891 /nfs/dbraw/zinc/29/48/91/706294891.db2.gz DHAMTUAWUCSZQR-ZALBZXLWSA-N 2 1 337.493 1.492 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CC3CC(C)(C)C3)C2)O1 ZINC000998983061 706402369 /nfs/dbraw/zinc/40/23/69/706402369.db2.gz IBSKQUCJOGIIFJ-LHUBUQBQSA-N 2 1 337.508 1.721 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CC3CC(C)(C)C3)C2)O1 ZINC000998983061 706402371 /nfs/dbraw/zinc/40/23/71/706402371.db2.gz IBSKQUCJOGIIFJ-LHUBUQBQSA-N 2 1 337.508 1.721 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000999834947 707468252 /nfs/dbraw/zinc/46/82/52/707468252.db2.gz AQIFSOJGUCSHGG-UHFFFAOYSA-N 2 1 331.395 1.505 20 0 EDADMP C[C@@H]([NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1)c1csnn1 ZINC000999050018 706470635 /nfs/dbraw/zinc/47/06/35/706470635.db2.gz HWMQBHWZKDTVDN-IYXRBSQSSA-N 2 1 349.504 1.807 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000999122826 706547973 /nfs/dbraw/zinc/54/79/73/706547973.db2.gz AFTKUAFTLXWFHA-DAWZGUTISA-N 2 1 348.491 1.712 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]CCc2ccns2)C1 ZINC000999126428 706550920 /nfs/dbraw/zinc/55/09/20/706550920.db2.gz NNZNAJHDMXOHBV-UHFFFAOYSA-N 2 1 333.461 1.470 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC000999144998 706558901 /nfs/dbraw/zinc/55/89/01/706558901.db2.gz NVHPYWSRMIMVSK-RDJZCZTQSA-N 2 1 333.480 1.374 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCCOC3)C[C@H]2CC1 ZINC000946518044 706567204 /nfs/dbraw/zinc/56/72/04/706567204.db2.gz MYFZQRVEYQPWRW-OKYOBFRVSA-N 2 1 349.519 1.678 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2CC1 ZINC000946518044 706567208 /nfs/dbraw/zinc/56/72/08/706567208.db2.gz MYFZQRVEYQPWRW-OKYOBFRVSA-N 2 1 349.519 1.678 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2CC1 ZINC000946518044 706567214 /nfs/dbraw/zinc/56/72/14/706567214.db2.gz MYFZQRVEYQPWRW-OKYOBFRVSA-N 2 1 349.519 1.678 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999353257 706866803 /nfs/dbraw/zinc/86/68/03/706866803.db2.gz LUMCAXSXJIMZOI-HOCLYGCPSA-N 2 1 327.444 1.180 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000999372731 706867125 /nfs/dbraw/zinc/86/71/25/706867125.db2.gz PBQQBDHDNZJFFN-HIFRSBDPSA-N 2 1 345.472 1.998 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nc1 ZINC000999375054 706869684 /nfs/dbraw/zinc/86/96/84/706869684.db2.gz TVTVLWLSEXOUGG-WBVHZDCISA-N 2 1 331.464 1.206 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)oc1C ZINC000999363433 706877174 /nfs/dbraw/zinc/87/71/74/706877174.db2.gz HNFCPKQAHWYVLA-OAHLLOKOSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)oc1C ZINC000999363433 706877178 /nfs/dbraw/zinc/87/71/78/706877178.db2.gz HNFCPKQAHWYVLA-OAHLLOKOSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)cn1 ZINC000999365655 706879274 /nfs/dbraw/zinc/87/92/74/706879274.db2.gz QQNZOXHZSMPPCS-HNNXBMFYSA-N 2 1 331.464 1.350 20 0 EDADMP Cn1cc(CC[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)cn1 ZINC000999404026 706912712 /nfs/dbraw/zinc/91/27/12/706912712.db2.gz YUHYVJQBNVLWIY-QZTJIDSGSA-N 2 1 347.507 1.418 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999404189 706912885 /nfs/dbraw/zinc/91/28/85/706912885.db2.gz UADPTYYXYBQVSN-JQRITLKVSA-N 2 1 334.464 1.712 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c(C)o1 ZINC000999407647 706917405 /nfs/dbraw/zinc/91/74/05/706917405.db2.gz DLUPVMPFZCFTGH-JQRITLKVSA-N 2 1 334.464 1.712 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c(C)o1 ZINC000999407650 706917472 /nfs/dbraw/zinc/91/74/72/706917472.db2.gz DLUPVMPFZCFTGH-UWTIGNOOSA-N 2 1 334.464 1.712 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000999500691 706998341 /nfs/dbraw/zinc/99/83/41/706998341.db2.gz DHNABPUBVBIRKH-QQFBHYJXSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)n1 ZINC000999505562 707003062 /nfs/dbraw/zinc/00/30/62/707003062.db2.gz KFPKOTJWSCQQSG-GPANFISMSA-N 2 1 349.479 1.720 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)n1 ZINC000999505562 707003065 /nfs/dbraw/zinc/00/30/65/707003065.db2.gz KFPKOTJWSCQQSG-GPANFISMSA-N 2 1 349.479 1.720 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000999514048 707012936 /nfs/dbraw/zinc/01/29/36/707012936.db2.gz UEBUUTHGCRGRHH-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]2CC1 ZINC000946779022 707235898 /nfs/dbraw/zinc/23/58/98/707235898.db2.gz CULRPHYNIREBNK-ZACQAIPSSA-N 2 1 346.475 1.829 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]2CC1 ZINC000946779022 707235900 /nfs/dbraw/zinc/23/59/00/707235900.db2.gz CULRPHYNIREBNK-ZACQAIPSSA-N 2 1 346.475 1.829 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]2CC1 ZINC000946779022 707235901 /nfs/dbraw/zinc/23/59/01/707235901.db2.gz CULRPHYNIREBNK-ZACQAIPSSA-N 2 1 346.475 1.829 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)c1 ZINC000999716282 707254400 /nfs/dbraw/zinc/25/44/00/707254400.db2.gz ZICWSOYPIVKLGV-KRWDZBQOSA-N 2 1 342.443 1.981 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000999727534 707270347 /nfs/dbraw/zinc/27/03/47/707270347.db2.gz QCEUFXNQFSPPTQ-ROUUACIJSA-N 2 1 348.491 1.713 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001033265992 707290802 /nfs/dbraw/zinc/29/08/02/707290802.db2.gz LSCVGSLUXJHOCD-SJORKVTESA-N 2 1 334.464 1.541 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001033265992 707290806 /nfs/dbraw/zinc/29/08/06/707290806.db2.gz LSCVGSLUXJHOCD-SJORKVTESA-N 2 1 334.464 1.541 20 0 EDADMP CCc1cc(N2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC001061620390 707297210 /nfs/dbraw/zinc/29/72/10/707297210.db2.gz YHJFFSREOZEDGE-OAHLLOKOSA-N 2 1 345.491 1.632 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000999712265 707308325 /nfs/dbraw/zinc/30/83/25/707308325.db2.gz HMVXLTVYDXCQFS-INIZCTEOSA-N 2 1 331.395 1.506 20 0 EDADMP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033270187 707319484 /nfs/dbraw/zinc/31/94/84/707319484.db2.gz ZCVDUCPQMJQKPU-LSDHHAIUSA-N 2 1 334.464 1.330 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033270187 707319493 /nfs/dbraw/zinc/31/94/93/707319493.db2.gz ZCVDUCPQMJQKPU-LSDHHAIUSA-N 2 1 334.464 1.330 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001033278692 707345773 /nfs/dbraw/zinc/34/57/73/707345773.db2.gz PUXCONXGPJVJNU-SALCMFQGSA-N 2 1 339.867 1.135 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001033278692 707345774 /nfs/dbraw/zinc/34/57/74/707345774.db2.gz PUXCONXGPJVJNU-SALCMFQGSA-N 2 1 339.867 1.135 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC001033278692 707345777 /nfs/dbraw/zinc/34/57/77/707345777.db2.gz PUXCONXGPJVJNU-SALCMFQGSA-N 2 1 339.867 1.135 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC001033278692 707345778 /nfs/dbraw/zinc/34/57/78/707345778.db2.gz PUXCONXGPJVJNU-SALCMFQGSA-N 2 1 339.867 1.135 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999792571 707363541 /nfs/dbraw/zinc/36/35/41/707363541.db2.gz NNLHNNSAATVGIZ-FUHWJXTLSA-N 2 1 346.475 1.938 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297755 707434091 /nfs/dbraw/zinc/43/40/91/707434091.db2.gz SYLXKAZZAXCNFU-FUHWJXTLSA-N 2 1 347.503 1.972 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)cn1 ZINC001033196272 707442499 /nfs/dbraw/zinc/44/24/99/707442499.db2.gz CPYODWDSJOHMQX-ZWKOTPCHSA-N 2 1 347.507 1.463 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001033196272 707442503 /nfs/dbraw/zinc/44/25/03/707442503.db2.gz CPYODWDSJOHMQX-ZWKOTPCHSA-N 2 1 347.507 1.463 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC001033196272 707442508 /nfs/dbraw/zinc/44/25/08/707442508.db2.gz CPYODWDSJOHMQX-ZWKOTPCHSA-N 2 1 347.507 1.463 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000999835548 707469975 /nfs/dbraw/zinc/46/99/75/707469975.db2.gz GQIAIUBZBPDLLW-IYXRBSQSSA-N 2 1 348.495 1.133 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3C)C2)C1 ZINC000999862307 707499888 /nfs/dbraw/zinc/49/98/88/707499888.db2.gz NSWIXKSZBSVKKU-ACBHZAAOSA-N 2 1 345.487 1.795 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3C)C2)C1 ZINC000999862307 707499890 /nfs/dbraw/zinc/49/98/90/707499890.db2.gz NSWIXKSZBSVKKU-ACBHZAAOSA-N 2 1 345.487 1.795 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)o2)C1 ZINC000999876221 707523194 /nfs/dbraw/zinc/52/31/94/707523194.db2.gz IMERAXBLRRTHLO-DQPZFDDXSA-N 2 1 334.464 1.936 20 0 EDADMP C[C@@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004878788 707550666 /nfs/dbraw/zinc/55/06/66/707550666.db2.gz QUECYVZYEADXIT-QAPCUYQASA-N 2 1 347.507 1.764 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccnn1C ZINC001004890846 707570325 /nfs/dbraw/zinc/57/03/25/707570325.db2.gz DVRCKCNZSNLOTA-WBVHZDCISA-N 2 1 344.463 1.484 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C)[nH]3)C2)C1 ZINC000999972536 707584122 /nfs/dbraw/zinc/58/41/22/707584122.db2.gz GLGGHTZJHDRGNV-HOTGVXAUSA-N 2 1 348.495 1.316 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C)[nH]3)C2)C1 ZINC000999972536 707584124 /nfs/dbraw/zinc/58/41/24/707584124.db2.gz GLGGHTZJHDRGNV-HOTGVXAUSA-N 2 1 348.495 1.316 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC000999996692 707676976 /nfs/dbraw/zinc/67/69/76/707676976.db2.gz FHIDQCSGGGQGHM-MOPGFXCFSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC000999996692 707676978 /nfs/dbraw/zinc/67/69/78/707676978.db2.gz FHIDQCSGGGQGHM-MOPGFXCFSA-N 2 1 345.487 1.876 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1cn([C@H]2CC[NH+](CC3CC3)C2)nn1 ZINC000999999089 707682734 /nfs/dbraw/zinc/68/27/34/707682734.db2.gz WTTYZGSHZHMNQW-DLBZAZTESA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CC3CC3)C2)nn1 ZINC000999999089 707682736 /nfs/dbraw/zinc/68/27/36/707682736.db2.gz WTTYZGSHZHMNQW-DLBZAZTESA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CC3CC3)C2)nn1 ZINC000999999089 707682739 /nfs/dbraw/zinc/68/27/39/707682739.db2.gz WTTYZGSHZHMNQW-DLBZAZTESA-N 2 1 346.479 1.035 20 0 EDADMP C[C@H]([NH2+]Cc1cnon1)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001004942108 707687204 /nfs/dbraw/zinc/68/72/04/707687204.db2.gz LRTMQHPQNSMYNY-HOCLYGCPSA-N 2 1 349.479 1.661 20 0 EDADMP C[C@H]([NH2+]Cc1cnon1)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001004942108 707687206 /nfs/dbraw/zinc/68/72/06/707687206.db2.gz LRTMQHPQNSMYNY-HOCLYGCPSA-N 2 1 349.479 1.661 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cncn3C)C2)CC[N@@H+]1C ZINC001033359946 707687244 /nfs/dbraw/zinc/68/72/44/707687244.db2.gz FEOUVBVLEGINNQ-HRCADAONSA-N 2 1 333.480 1.183 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cncn3C)C2)CC[N@H+]1C ZINC001033359946 707687248 /nfs/dbraw/zinc/68/72/48/707687248.db2.gz FEOUVBVLEGINNQ-HRCADAONSA-N 2 1 333.480 1.183 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cncn3C)C2)CC[NH+]1C ZINC001033359946 707687251 /nfs/dbraw/zinc/68/72/51/707687251.db2.gz FEOUVBVLEGINNQ-HRCADAONSA-N 2 1 333.480 1.183 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cncn3C)C2)CC[NH+]1C ZINC001033359946 707687256 /nfs/dbraw/zinc/68/72/56/707687256.db2.gz FEOUVBVLEGINNQ-HRCADAONSA-N 2 1 333.480 1.183 20 0 EDADMP Cc1ncccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001032730593 707729516 /nfs/dbraw/zinc/72/95/16/707729516.db2.gz KIHCNBTUZLTHLL-SZMVWBNQSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1ncccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001032730593 707729520 /nfs/dbraw/zinc/72/95/20/707729520.db2.gz KIHCNBTUZLTHLL-SZMVWBNQSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032730593 707729523 /nfs/dbraw/zinc/72/95/23/707729523.db2.gz KIHCNBTUZLTHLL-SZMVWBNQSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032730593 707729528 /nfs/dbraw/zinc/72/95/28/707729528.db2.gz KIHCNBTUZLTHLL-SZMVWBNQSA-N 2 1 328.460 1.517 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCc1cccs1)C12CC[NH+](CC1)C2 ZINC001032733710 707741752 /nfs/dbraw/zinc/74/17/52/707741752.db2.gz HQRZSVSZGMLGGI-GJZGRUSLSA-N 2 1 331.485 1.672 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033217755 707744992 /nfs/dbraw/zinc/74/49/92/707744992.db2.gz NAPBEONZMDAJJM-ROUUACIJSA-N 2 1 347.507 1.573 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033217755 707744997 /nfs/dbraw/zinc/74/49/97/707744997.db2.gz NAPBEONZMDAJJM-ROUUACIJSA-N 2 1 347.507 1.573 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033217755 707745001 /nfs/dbraw/zinc/74/50/01/707745001.db2.gz NAPBEONZMDAJJM-ROUUACIJSA-N 2 1 347.507 1.573 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033217755 707745006 /nfs/dbraw/zinc/74/50/06/707745006.db2.gz NAPBEONZMDAJJM-ROUUACIJSA-N 2 1 347.507 1.573 20 0 EDADMP COCC[N@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417270 707799308 /nfs/dbraw/zinc/79/93/08/707799308.db2.gz VSPPSWBMDHIKLU-YOEHRIQHSA-N 2 1 329.460 1.378 20 0 EDADMP COCC[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033417270 707799312 /nfs/dbraw/zinc/79/93/12/707799312.db2.gz VSPPSWBMDHIKLU-YOEHRIQHSA-N 2 1 329.460 1.378 20 0 EDADMP COCC[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033417270 707799316 /nfs/dbraw/zinc/79/93/16/707799316.db2.gz VSPPSWBMDHIKLU-YOEHRIQHSA-N 2 1 329.460 1.378 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)o1 ZINC001033420477 707831447 /nfs/dbraw/zinc/83/14/47/707831447.db2.gz PPKVAYWXKCKWKZ-CJNGLKHVSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)o1 ZINC001033420477 707831452 /nfs/dbraw/zinc/83/14/52/707831452.db2.gz PPKVAYWXKCKWKZ-CJNGLKHVSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)o1 ZINC001033420477 707831457 /nfs/dbraw/zinc/83/14/57/707831457.db2.gz PPKVAYWXKCKWKZ-CJNGLKHVSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)o1 ZINC001033420477 707831462 /nfs/dbraw/zinc/83/14/62/707831462.db2.gz PPKVAYWXKCKWKZ-CJNGLKHVSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033421295 707834061 /nfs/dbraw/zinc/83/40/61/707834061.db2.gz WTEOXWIZLDKZIF-ZBFHGGJFSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033421295 707834065 /nfs/dbraw/zinc/83/40/65/707834065.db2.gz WTEOXWIZLDKZIF-ZBFHGGJFSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033421295 707834070 /nfs/dbraw/zinc/83/40/70/707834070.db2.gz WTEOXWIZLDKZIF-ZBFHGGJFSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033421295 707834074 /nfs/dbraw/zinc/83/40/74/707834074.db2.gz WTEOXWIZLDKZIF-ZBFHGGJFSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccnn1C ZINC001004988086 707844422 /nfs/dbraw/zinc/84/44/22/707844422.db2.gz ADXALSJADQAPJF-WMLDXEAASA-N 2 1 344.463 1.484 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033228645 707869422 /nfs/dbraw/zinc/86/94/22/707869422.db2.gz MTPOPIMBCXBUDC-SFHVURJKSA-N 2 1 349.519 1.964 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033468522 707928703 /nfs/dbraw/zinc/92/87/03/707928703.db2.gz YPPZQCXRYNHJQF-MRXNPFEDSA-N 2 1 344.463 1.436 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033468522 707928704 /nfs/dbraw/zinc/92/87/04/707928704.db2.gz YPPZQCXRYNHJQF-MRXNPFEDSA-N 2 1 344.463 1.436 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033474829 707964677 /nfs/dbraw/zinc/96/46/77/707964677.db2.gz KUHCEIICZLIJLD-SFHVURJKSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032785039 707989255 /nfs/dbraw/zinc/98/92/55/707989255.db2.gz TYUBHTNIKASESA-NJAFHUGGSA-N 2 1 335.492 1.430 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032785039 707989257 /nfs/dbraw/zinc/98/92/57/707989257.db2.gz TYUBHTNIKASESA-NJAFHUGGSA-N 2 1 335.492 1.430 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CCc3cnn(C)c3)C2)CC1 ZINC001033530697 708153083 /nfs/dbraw/zinc/15/30/83/708153083.db2.gz GKGYEWXGXXSMEO-SFHVURJKSA-N 2 1 347.507 1.227 20 0 EDADMP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033539990 708196526 /nfs/dbraw/zinc/19/65/26/708196526.db2.gz NDUFEXPYUDWNRY-YOEHRIQHSA-N 2 1 343.431 1.449 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033539990 708196528 /nfs/dbraw/zinc/19/65/28/708196528.db2.gz NDUFEXPYUDWNRY-YOEHRIQHSA-N 2 1 343.431 1.449 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033579990 708260102 /nfs/dbraw/zinc/26/01/02/708260102.db2.gz CCGADRPXIWZQJE-FUHWJXTLSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001033579990 708260104 /nfs/dbraw/zinc/26/01/04/708260104.db2.gz CCGADRPXIWZQJE-FUHWJXTLSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033579990 708260106 /nfs/dbraw/zinc/26/01/06/708260106.db2.gz CCGADRPXIWZQJE-FUHWJXTLSA-N 2 1 330.476 1.765 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580654 708261952 /nfs/dbraw/zinc/26/19/52/708261952.db2.gz GJLRMYCDVYMCRT-ZBFHGGJFSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580654 708261954 /nfs/dbraw/zinc/26/19/54/708261954.db2.gz GJLRMYCDVYMCRT-ZBFHGGJFSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033580654 708261956 /nfs/dbraw/zinc/26/19/56/708261956.db2.gz GJLRMYCDVYMCRT-ZBFHGGJFSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033580654 708261958 /nfs/dbraw/zinc/26/19/58/708261958.db2.gz GJLRMYCDVYMCRT-ZBFHGGJFSA-N 2 1 334.464 1.612 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033582392 708265620 /nfs/dbraw/zinc/26/56/20/708265620.db2.gz OQKQVHASJXUVPY-HZPDHXFCSA-N 2 1 349.479 1.185 20 0 EDADMP Cc1noc(CCC[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001033582392 708265624 /nfs/dbraw/zinc/26/56/24/708265624.db2.gz OQKQVHASJXUVPY-HZPDHXFCSA-N 2 1 349.479 1.185 20 0 EDADMP Cc1noc(CCC[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033582392 708265628 /nfs/dbraw/zinc/26/56/28/708265628.db2.gz OQKQVHASJXUVPY-HZPDHXFCSA-N 2 1 349.479 1.185 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)co1 ZINC001001831966 708357488 /nfs/dbraw/zinc/35/74/88/708357488.db2.gz BKORSUUYOBOIPL-SUMWQHHRSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)co1 ZINC001001831966 708357490 /nfs/dbraw/zinc/35/74/90/708357490.db2.gz BKORSUUYOBOIPL-SUMWQHHRSA-N 2 1 334.464 1.509 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)cc1C ZINC001033663474 708443493 /nfs/dbraw/zinc/44/34/93/708443493.db2.gz VYKCEBHHGHXKJR-ZWKOTPCHSA-N 2 1 345.487 1.988 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1C ZINC001033663474 708443494 /nfs/dbraw/zinc/44/34/94/708443494.db2.gz VYKCEBHHGHXKJR-ZWKOTPCHSA-N 2 1 345.487 1.988 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001033663474 708443495 /nfs/dbraw/zinc/44/34/95/708443495.db2.gz VYKCEBHHGHXKJR-ZWKOTPCHSA-N 2 1 345.487 1.988 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033686722 708501544 /nfs/dbraw/zinc/50/15/44/708501544.db2.gz SLIIDHFQFKLIRL-IRXDYDNUSA-N 2 1 333.480 1.327 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033686722 708501545 /nfs/dbraw/zinc/50/15/45/708501545.db2.gz SLIIDHFQFKLIRL-IRXDYDNUSA-N 2 1 333.480 1.327 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033686722 708501547 /nfs/dbraw/zinc/50/15/47/708501547.db2.gz SLIIDHFQFKLIRL-IRXDYDNUSA-N 2 1 333.480 1.327 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033686722 708501548 /nfs/dbraw/zinc/50/15/48/708501548.db2.gz SLIIDHFQFKLIRL-IRXDYDNUSA-N 2 1 333.480 1.327 20 0 EDADMP Cc1cncc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001002121131 708635058 /nfs/dbraw/zinc/63/50/58/708635058.db2.gz OJYHJSCDDAEUJR-SFHVURJKSA-N 2 1 330.476 1.670 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001002138780 708675819 /nfs/dbraw/zinc/67/58/19/708675819.db2.gz NAUANTOGUGJGRM-QGZVFWFLSA-N 2 1 339.524 1.972 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001002138780 708675822 /nfs/dbraw/zinc/67/58/22/708675822.db2.gz NAUANTOGUGJGRM-QGZVFWFLSA-N 2 1 339.524 1.972 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033829597 708849954 /nfs/dbraw/zinc/84/99/54/708849954.db2.gz YDFYKHKTPFSJSA-ROUUACIJSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033829597 708849956 /nfs/dbraw/zinc/84/99/56/708849956.db2.gz YDFYKHKTPFSJSA-ROUUACIJSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033829597 708849958 /nfs/dbraw/zinc/84/99/58/708849958.db2.gz YDFYKHKTPFSJSA-ROUUACIJSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033829597 708849960 /nfs/dbraw/zinc/84/99/60/708849960.db2.gz YDFYKHKTPFSJSA-ROUUACIJSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033830965 708852511 /nfs/dbraw/zinc/85/25/11/708852511.db2.gz QRXVAIDNTKFKFC-IEBWSBKVSA-N 2 1 349.519 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033837518 708866790 /nfs/dbraw/zinc/86/67/90/708866790.db2.gz IMYVVSPNBPHLHC-DJIMGWMZSA-N 2 1 333.480 1.183 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033837518 708866791 /nfs/dbraw/zinc/86/67/91/708866791.db2.gz IMYVVSPNBPHLHC-DJIMGWMZSA-N 2 1 333.480 1.183 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033837518 708866792 /nfs/dbraw/zinc/86/67/92/708866792.db2.gz IMYVVSPNBPHLHC-DJIMGWMZSA-N 2 1 333.480 1.183 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033837518 708866793 /nfs/dbraw/zinc/86/67/93/708866793.db2.gz IMYVVSPNBPHLHC-DJIMGWMZSA-N 2 1 333.480 1.183 20 0 EDADMP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC001005407307 708937787 /nfs/dbraw/zinc/93/77/87/708937787.db2.gz PCFWGLUVMJUQNP-RDTXWAMCSA-N 2 1 345.491 1.548 20 0 EDADMP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC001005407307 708937791 /nfs/dbraw/zinc/93/77/91/708937791.db2.gz PCFWGLUVMJUQNP-RDTXWAMCSA-N 2 1 345.491 1.548 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC001002459455 708983041 /nfs/dbraw/zinc/98/30/41/708983041.db2.gz ICVSZFTUWUTKGU-QZTJIDSGSA-N 2 1 349.450 1.534 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357457641 708990970 /nfs/dbraw/zinc/99/09/70/708990970.db2.gz PDAFALJDZWBTGX-OALUTQOASA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000357457641 708990973 /nfs/dbraw/zinc/99/09/73/708990973.db2.gz PDAFALJDZWBTGX-OALUTQOASA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000357457641 708990976 /nfs/dbraw/zinc/99/09/76/708990976.db2.gz PDAFALJDZWBTGX-OALUTQOASA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C)s1)[NH+](C)C ZINC001045089337 708992246 /nfs/dbraw/zinc/99/22/46/708992246.db2.gz FWHVQEAJOSNVOJ-QWHCGFSZSA-N 2 1 325.482 1.267 20 0 EDADMP CN(C)c1cc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)ccn1 ZINC001002480578 709030542 /nfs/dbraw/zinc/03/05/42/709030542.db2.gz NLRVVDJZSASEAJ-QGZVFWFLSA-N 2 1 345.491 1.322 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033927459 709057959 /nfs/dbraw/zinc/05/79/59/709057959.db2.gz MEUBKJQEGNGFAN-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033927459 709057964 /nfs/dbraw/zinc/05/79/64/709057964.db2.gz MEUBKJQEGNGFAN-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033927459 709057965 /nfs/dbraw/zinc/05/79/65/709057965.db2.gz MEUBKJQEGNGFAN-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033927459 709057970 /nfs/dbraw/zinc/05/79/70/709057970.db2.gz MEUBKJQEGNGFAN-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP Cc1ccc(CN2CCC(NC(=O)[C@H]3CN(C)CCO3)CC2)cc1F ZINC001002534955 709092367 /nfs/dbraw/zinc/09/23/67/709092367.db2.gz NIAZAXYNNXMXFY-GOSISDBHSA-N 2 1 349.450 1.545 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033932064 709099171 /nfs/dbraw/zinc/09/91/71/709099171.db2.gz GDPDANQEXPIQPK-QZTJIDSGSA-N 2 1 337.508 1.985 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033932064 709099172 /nfs/dbraw/zinc/09/91/72/709099172.db2.gz GDPDANQEXPIQPK-QZTJIDSGSA-N 2 1 337.508 1.985 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001033932064 709099175 /nfs/dbraw/zinc/09/91/75/709099175.db2.gz GDPDANQEXPIQPK-QZTJIDSGSA-N 2 1 337.508 1.985 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001033932064 709099179 /nfs/dbraw/zinc/09/91/79/709099179.db2.gz GDPDANQEXPIQPK-QZTJIDSGSA-N 2 1 337.508 1.985 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033938549 709143159 /nfs/dbraw/zinc/14/31/59/709143159.db2.gz YGQTUTNAVOYRRV-OKZBNKHCSA-N 2 1 347.507 1.536 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033938549 709143161 /nfs/dbraw/zinc/14/31/61/709143161.db2.gz YGQTUTNAVOYRRV-OKZBNKHCSA-N 2 1 347.507 1.536 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033938549 709143162 /nfs/dbraw/zinc/14/31/62/709143162.db2.gz YGQTUTNAVOYRRV-OKZBNKHCSA-N 2 1 347.507 1.536 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033942358 709149250 /nfs/dbraw/zinc/14/92/50/709149250.db2.gz ZUCDGFMUCLKTSZ-QGZVFWFLSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCn2nc(C)cc2C)C1 ZINC001034039404 709272354 /nfs/dbraw/zinc/27/23/54/709272354.db2.gz IISCJJJYAQGKHX-ZWKOTPCHSA-N 2 1 347.507 1.374 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001034039404 709272355 /nfs/dbraw/zinc/27/23/55/709272355.db2.gz IISCJJJYAQGKHX-ZWKOTPCHSA-N 2 1 347.507 1.374 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001034039404 709272356 /nfs/dbraw/zinc/27/23/56/709272356.db2.gz IISCJJJYAQGKHX-ZWKOTPCHSA-N 2 1 347.507 1.374 20 0 EDADMP Cc1ncoc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002792443 709400560 /nfs/dbraw/zinc/40/05/60/709400560.db2.gz OAPPBPBSPKOEQK-MRXNPFEDSA-N 2 1 334.464 1.936 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC001034144659 709415424 /nfs/dbraw/zinc/41/54/24/709415424.db2.gz BWEBFFOUYBIJHO-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC001034144659 709415426 /nfs/dbraw/zinc/41/54/26/709415426.db2.gz BWEBFFOUYBIJHO-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001034144659 709415429 /nfs/dbraw/zinc/41/54/29/709415429.db2.gz BWEBFFOUYBIJHO-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001034144659 709415432 /nfs/dbraw/zinc/41/54/32/709415432.db2.gz BWEBFFOUYBIJHO-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001002851479 709461999 /nfs/dbraw/zinc/46/19/99/709461999.db2.gz ITPUCAAKDOPWSQ-CZUORRHYSA-N 2 1 334.464 1.712 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC001002860100 709468362 /nfs/dbraw/zinc/46/83/62/709468362.db2.gz XQYJXGAWMDHQAP-FGTMMUONSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034209689 709559422 /nfs/dbraw/zinc/55/94/22/709559422.db2.gz LAFVAIKGXJKLPR-KRWDZBQOSA-N 2 1 347.507 1.995 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034239287 709621530 /nfs/dbraw/zinc/62/15/30/709621530.db2.gz UGEWDJWRVWIDLI-IRXDYDNUSA-N 2 1 325.497 1.317 20 0 EDADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](CCCO)C2)C1 ZINC001034239287 709621531 /nfs/dbraw/zinc/62/15/31/709621531.db2.gz UGEWDJWRVWIDLI-IRXDYDNUSA-N 2 1 325.497 1.317 20 0 EDADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)C1 ZINC001034239287 709621534 /nfs/dbraw/zinc/62/15/34/709621534.db2.gz UGEWDJWRVWIDLI-IRXDYDNUSA-N 2 1 325.497 1.317 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2conc2C)CC1 ZINC001002956690 709660540 /nfs/dbraw/zinc/66/05/40/709660540.db2.gz ZSRQKAGJCWYLRA-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2conc2C)CC1 ZINC001002956690 709660545 /nfs/dbraw/zinc/66/05/45/709660545.db2.gz ZSRQKAGJCWYLRA-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702627480 709706835 /nfs/dbraw/zinc/70/68/35/709706835.db2.gz COORDYBURPHNQQ-HHXXYDBFSA-N 2 1 331.460 1.270 20 0 EDADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702627480 709706838 /nfs/dbraw/zinc/70/68/38/709706838.db2.gz COORDYBURPHNQQ-HHXXYDBFSA-N 2 1 331.460 1.270 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001034310049 709752613 /nfs/dbraw/zinc/75/26/13/709752613.db2.gz SIEIURGLKACFJS-DLBZAZTESA-N 2 1 348.491 1.977 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001034310049 709752615 /nfs/dbraw/zinc/75/26/15/709752615.db2.gz SIEIURGLKACFJS-DLBZAZTESA-N 2 1 348.491 1.977 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CC2)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321060 709771023 /nfs/dbraw/zinc/77/10/23/709771023.db2.gz PZMXCAJJOGXCAW-VZDIDWBNSA-N 2 1 333.476 1.230 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CC2CC2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001034321060 709771025 /nfs/dbraw/zinc/77/10/25/709771025.db2.gz PZMXCAJJOGXCAW-VZDIDWBNSA-N 2 1 333.476 1.230 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CC2CC2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001034321060 709771027 /nfs/dbraw/zinc/77/10/27/709771027.db2.gz PZMXCAJJOGXCAW-VZDIDWBNSA-N 2 1 333.476 1.230 20 0 EDADMP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034321994 709773495 /nfs/dbraw/zinc/77/34/95/709773495.db2.gz YEZDNRDKJLBAOK-NRGCRIOASA-N 2 1 347.503 1.787 20 0 EDADMP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034321994 709773499 /nfs/dbraw/zinc/77/34/99/709773499.db2.gz YEZDNRDKJLBAOK-NRGCRIOASA-N 2 1 347.503 1.787 20 0 EDADMP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034321994 709773502 /nfs/dbraw/zinc/77/35/02/709773502.db2.gz YEZDNRDKJLBAOK-NRGCRIOASA-N 2 1 347.503 1.787 20 0 EDADMP CC[C@H](C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)OC ZINC001034378021 709899094 /nfs/dbraw/zinc/89/90/94/709899094.db2.gz NRFCVDGURJCYIJ-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034396439 709935436 /nfs/dbraw/zinc/93/54/36/709935436.db2.gz FRBYOEHABIVLKD-SJORKVTESA-N 2 1 333.480 1.338 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CCn2cccn2)C1 ZINC001034396439 709935440 /nfs/dbraw/zinc/93/54/40/709935440.db2.gz FRBYOEHABIVLKD-SJORKVTESA-N 2 1 333.480 1.338 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CCn2cccn2)C1 ZINC001034396439 709935442 /nfs/dbraw/zinc/93/54/42/709935442.db2.gz FRBYOEHABIVLKD-SJORKVTESA-N 2 1 333.480 1.338 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)on1 ZINC001034402576 709948539 /nfs/dbraw/zinc/94/85/39/709948539.db2.gz QMZRLJDPBNFEQK-GOEBONIOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)on1 ZINC001034402576 709948542 /nfs/dbraw/zinc/94/85/42/709948542.db2.gz QMZRLJDPBNFEQK-GOEBONIOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)on1 ZINC001034402576 709948546 /nfs/dbraw/zinc/94/85/46/709948546.db2.gz QMZRLJDPBNFEQK-GOEBONIOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)on1 ZINC001034402576 709948551 /nfs/dbraw/zinc/94/85/51/709948551.db2.gz QMZRLJDPBNFEQK-GOEBONIOSA-N 2 1 334.464 1.796 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCCC[N@@H+](CCC3CC3)C2)cn1 ZINC001034437158 710011242 /nfs/dbraw/zinc/01/12/42/710011242.db2.gz WKFPWDHFAGXXON-GOSISDBHSA-N 2 1 347.507 1.829 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034489626 710107091 /nfs/dbraw/zinc/10/70/91/710107091.db2.gz HOJGSTYUUNXLIE-CVEARBPZSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001034489626 710107096 /nfs/dbraw/zinc/10/70/96/710107096.db2.gz HOJGSTYUUNXLIE-CVEARBPZSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034489626 710107100 /nfs/dbraw/zinc/10/71/00/710107100.db2.gz HOJGSTYUUNXLIE-CVEARBPZSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034489626 710107104 /nfs/dbraw/zinc/10/71/04/710107104.db2.gz HOJGSTYUUNXLIE-CVEARBPZSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001034491323 710111052 /nfs/dbraw/zinc/11/10/52/710111052.db2.gz SPMAQFMTTXBNSE-IRXDYDNUSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001034491323 710111053 /nfs/dbraw/zinc/11/10/53/710111053.db2.gz SPMAQFMTTXBNSE-IRXDYDNUSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)ncn1 ZINC001034491323 710111055 /nfs/dbraw/zinc/11/10/55/710111055.db2.gz SPMAQFMTTXBNSE-IRXDYDNUSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)ncn1 ZINC001034491323 710111057 /nfs/dbraw/zinc/11/10/57/710111057.db2.gz SPMAQFMTTXBNSE-IRXDYDNUSA-N 2 1 345.491 1.598 20 0 EDADMP CO[C@H](C[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC001034491564 710111434 /nfs/dbraw/zinc/11/14/34/710111434.db2.gz UTCDWFZOPCROGJ-QZTJIDSGSA-N 2 1 349.519 1.868 20 0 EDADMP CCn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034486910 710133539 /nfs/dbraw/zinc/13/35/39/710133539.db2.gz DAGLRLKOBGYQTA-CVEARBPZSA-N 2 1 348.495 1.111 20 0 EDADMP CCn1nncc1C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034486910 710133541 /nfs/dbraw/zinc/13/35/41/710133541.db2.gz DAGLRLKOBGYQTA-CVEARBPZSA-N 2 1 348.495 1.111 20 0 EDADMP CCn1nncc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034486910 710133544 /nfs/dbraw/zinc/13/35/44/710133544.db2.gz DAGLRLKOBGYQTA-CVEARBPZSA-N 2 1 348.495 1.111 20 0 EDADMP CCn1nncc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034486910 710133547 /nfs/dbraw/zinc/13/35/47/710133547.db2.gz DAGLRLKOBGYQTA-CVEARBPZSA-N 2 1 348.495 1.111 20 0 EDADMP COc1ncccc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034525665 710176264 /nfs/dbraw/zinc/17/62/64/710176264.db2.gz OJKSQMYBXPUMRJ-DOTOQJQBSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ncccc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034525665 710176265 /nfs/dbraw/zinc/17/62/65/710176265.db2.gz OJKSQMYBXPUMRJ-DOTOQJQBSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ncccc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034525665 710176266 /nfs/dbraw/zinc/17/62/66/710176266.db2.gz OJKSQMYBXPUMRJ-DOTOQJQBSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ncccc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034525665 710176267 /nfs/dbraw/zinc/17/62/67/710176267.db2.gz OJKSQMYBXPUMRJ-DOTOQJQBSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](CCc2ccns2)C1 ZINC001034527131 710180455 /nfs/dbraw/zinc/18/04/55/710180455.db2.gz FKZJXAKAQPLTNY-HNNXBMFYSA-N 2 1 347.488 1.861 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](CCc2ccns2)C1 ZINC001034527131 710180458 /nfs/dbraw/zinc/18/04/58/710180458.db2.gz FKZJXAKAQPLTNY-HNNXBMFYSA-N 2 1 347.488 1.861 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)C2C[NH+](CCC[C@@H]3CCOC3)C2)CC1 ZINC001044082676 710196601 /nfs/dbraw/zinc/19/66/01/710196601.db2.gz KLQMKOIOJDXPRH-QGZVFWFLSA-N 2 1 337.508 1.678 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001003310350 710239289 /nfs/dbraw/zinc/23/92/89/710239289.db2.gz OHHAQNVFASFHCG-UHFFFAOYSA-N 2 1 338.415 1.462 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1)c1ccccc1 ZINC001032838310 710279326 /nfs/dbraw/zinc/27/93/26/710279326.db2.gz ICDWAHLSNSBIRN-KZNAEPCWSA-N 2 1 331.460 1.659 20 0 EDADMP CO[C@H](C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC001032838310 710279328 /nfs/dbraw/zinc/27/93/28/710279328.db2.gz ICDWAHLSNSBIRN-KZNAEPCWSA-N 2 1 331.460 1.659 20 0 EDADMP CO[C@H](C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC001032838310 710279330 /nfs/dbraw/zinc/27/93/30/710279330.db2.gz ICDWAHLSNSBIRN-KZNAEPCWSA-N 2 1 331.460 1.659 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001034608098 710300189 /nfs/dbraw/zinc/30/01/89/710300189.db2.gz XUBZEHFSWMVRMN-NGFQHRJXSA-N 2 1 335.452 1.550 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001034647322 710323744 /nfs/dbraw/zinc/32/37/44/710323744.db2.gz DZUQFQNULSSPLT-CWQOZTLDSA-N 2 1 337.508 1.770 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(N)=O)CC1 ZINC001034663420 710332374 /nfs/dbraw/zinc/33/23/74/710332374.db2.gz XMRQGDLEUQTBIJ-YHUYYLMFSA-N 2 1 338.496 1.140 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)s1 ZINC001003631159 710460284 /nfs/dbraw/zinc/46/02/84/710460284.db2.gz RWTFICJFTHDZBR-BLLLJJGKSA-N 2 1 336.505 1.730 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCOc2ccccc2)CC1 ZINC001003631178 710460414 /nfs/dbraw/zinc/46/04/14/710460414.db2.gz SIWAWLHGXAHEHK-QFBILLFUSA-N 2 1 345.487 1.844 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncn2C)CC1 ZINC001034659445 710588572 /nfs/dbraw/zinc/58/85/72/710588572.db2.gz UTKMWZJOISPKNR-JYJNAYRXSA-N 2 1 348.495 1.207 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034662109 710593715 /nfs/dbraw/zinc/59/37/15/710593715.db2.gz DADRIJHISKQDGH-BFYDXBDKSA-N 2 1 349.479 1.850 20 0 EDADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1 ZINC001034674807 710625210 /nfs/dbraw/zinc/62/52/10/710625210.db2.gz SERNLLQCJSZMQI-YDHLFZDLSA-N 2 1 337.493 1.539 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1 ZINC001034674807 710625214 /nfs/dbraw/zinc/62/52/14/710625214.db2.gz SERNLLQCJSZMQI-YDHLFZDLSA-N 2 1 337.493 1.539 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001005593203 710641503 /nfs/dbraw/zinc/64/15/03/710641503.db2.gz RDQUIPHCPOIQEK-SFHVURJKSA-N 2 1 347.507 1.636 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005591958 710649961 /nfs/dbraw/zinc/64/99/61/710649961.db2.gz JOUHKLJONGBPOE-QAPCUYQASA-N 2 1 345.491 1.945 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001005591958 710649965 /nfs/dbraw/zinc/64/99/65/710649965.db2.gz JOUHKLJONGBPOE-QAPCUYQASA-N 2 1 345.491 1.945 20 0 EDADMP Cc1nc2c([nH]1)CC[C@H](C(=O)N(C)C1CC[NH+](C[C@H](C)O)CC1)C2 ZINC001005622799 710739432 /nfs/dbraw/zinc/73/94/32/710739432.db2.gz LPGNIUIVWKTZRQ-JSGCOSHPSA-N 2 1 334.464 1.127 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCOC3)CC2)C1 ZINC001034734659 710916985 /nfs/dbraw/zinc/91/69/85/710916985.db2.gz URYPVRGVYVUMIA-XMTFNYHQSA-N 2 1 337.508 1.772 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1 ZINC001034735845 710922011 /nfs/dbraw/zinc/92/20/11/710922011.db2.gz NIEGCGHCUJLNDO-MGPQQGTHSA-N 2 1 337.493 1.539 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1 ZINC001034735845 710922013 /nfs/dbraw/zinc/92/20/13/710922013.db2.gz NIEGCGHCUJLNDO-MGPQQGTHSA-N 2 1 337.493 1.539 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)no1 ZINC001034737011 710947780 /nfs/dbraw/zinc/94/77/80/710947780.db2.gz GNOYZZPCKKSYRM-QEWYBTABSA-N 2 1 334.464 1.698 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@@H]3CCCO3)CC2)C1 ZINC001034775470 711048588 /nfs/dbraw/zinc/04/85/88/711048588.db2.gz AHEPDKHEWPGPJQ-XSLAGTTESA-N 2 1 337.508 1.914 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034775496 711048750 /nfs/dbraw/zinc/04/87/50/711048750.db2.gz AYCXWHXLDXVWDW-BZUAXINKSA-N 2 1 334.464 1.842 20 0 EDADMP Cc1nnsc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001034794277 711109972 /nfs/dbraw/zinc/10/99/72/711109972.db2.gz FXGKHDPQEUJWMM-HDJSIYSDSA-N 2 1 348.476 1.569 20 0 EDADMP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)ccn1 ZINC001034791613 711116255 /nfs/dbraw/zinc/11/62/55/711116255.db2.gz NVAJBFRQAFLWFF-ULQDDVLXSA-N 2 1 346.475 1.559 20 0 EDADMP COc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034791661 711116939 /nfs/dbraw/zinc/11/69/39/711116939.db2.gz PJYHQIBUHZTPHQ-BRWVUGGUSA-N 2 1 346.475 1.559 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC001034792459 711119555 /nfs/dbraw/zinc/11/95/55/711119555.db2.gz JRKQWUPOKGIRSP-VQHPVUNQSA-N 2 1 337.508 1.770 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1 ZINC001034792753 711120782 /nfs/dbraw/zinc/12/07/82/711120782.db2.gz NPFFZBHUFWBQPI-HDJSIYSDSA-N 2 1 333.461 1.865 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001003971475 711123381 /nfs/dbraw/zinc/12/33/81/711123381.db2.gz PYFMQZFBKBLWQJ-QGZVFWFLSA-N 2 1 345.487 1.988 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034797139 711130711 /nfs/dbraw/zinc/13/07/11/711130711.db2.gz WVEMUAJIIAUELC-DSPLQEQRSA-N 2 1 347.507 1.810 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001005723589 711149585 /nfs/dbraw/zinc/14/95/85/711149585.db2.gz SQKNYEFSYDEGLM-OAHLLOKOSA-N 2 1 348.491 1.720 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC001034933898 711359388 /nfs/dbraw/zinc/35/93/88/711359388.db2.gz DLIYHEVHRAADFL-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnoc1C ZINC001034954680 711421052 /nfs/dbraw/zinc/42/10/52/711421052.db2.gz SXBAEUJOOCVPOI-SJORKVTESA-N 2 1 334.464 1.938 20 0 EDADMP COC(=O)c1cc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cn1C ZINC000922391126 711455464 /nfs/dbraw/zinc/45/54/64/711455464.db2.gz SOHRFBVQURCNIW-NWGLXNPWSA-N 2 1 349.475 1.381 20 0 EDADMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncnn3C(C)C)C2)[C@H]1C(C)C ZINC000922392216 711457305 /nfs/dbraw/zinc/45/73/05/711457305.db2.gz FFOYUFXRVMXUSY-JOCBIADPSA-N 2 1 335.496 1.818 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncnn3C(C)C)C2)[C@H]1C(C)C ZINC000922392216 711457306 /nfs/dbraw/zinc/45/73/06/711457306.db2.gz FFOYUFXRVMXUSY-JOCBIADPSA-N 2 1 335.496 1.818 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc4n(n3)CCC4)C2)[C@H]1C(C)C ZINC000922393913 711459406 /nfs/dbraw/zinc/45/94/06/711459406.db2.gz LPIYRMQPCPSZOO-MKXGPGLRSA-N 2 1 332.492 1.789 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)[C@H]1C(C)C ZINC000922394348 711460625 /nfs/dbraw/zinc/46/06/25/711460625.db2.gz VOARBEKYTLLVBZ-SOAMZJECSA-N 2 1 345.487 1.745 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)nc3)CC2)C1 ZINC001004142118 711542171 /nfs/dbraw/zinc/54/21/71/711542171.db2.gz HMSHWXRMXLCTHT-CQSZACIVSA-N 2 1 336.867 1.767 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)nc3)CC2)C1 ZINC001004142118 711542174 /nfs/dbraw/zinc/54/21/74/711542174.db2.gz HMSHWXRMXLCTHT-CQSZACIVSA-N 2 1 336.867 1.767 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccccc3F)CC2)C1 ZINC001004149508 711563314 /nfs/dbraw/zinc/56/33/14/711563314.db2.gz KGCKQVUDJDAYLZ-KDOFPFPSSA-N 2 1 349.450 1.391 20 0 EDADMP CO[C@H](C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C1CCCC1 ZINC001004149972 711564781 /nfs/dbraw/zinc/56/47/81/711564781.db2.gz PJEBGHRVZAQNCW-FUHWJXTLSA-N 2 1 337.508 1.724 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033127300 711877646 /nfs/dbraw/zinc/87/76/46/711877646.db2.gz UOEQEAWGHQOGJM-QZTJIDSGSA-N 2 1 347.507 1.370 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001033127300 711877648 /nfs/dbraw/zinc/87/76/48/711877648.db2.gz UOEQEAWGHQOGJM-QZTJIDSGSA-N 2 1 347.507 1.370 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001033127300 711877649 /nfs/dbraw/zinc/87/76/49/711877649.db2.gz UOEQEAWGHQOGJM-QZTJIDSGSA-N 2 1 347.507 1.370 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033140772 711940317 /nfs/dbraw/zinc/94/03/17/711940317.db2.gz JIRJINQFPPSTPL-MSOLQXFVSA-N 2 1 335.492 1.573 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)[C@@H]1CC[NH+](CC2CC2)C1 ZINC001033140772 711940319 /nfs/dbraw/zinc/94/03/19/711940319.db2.gz JIRJINQFPPSTPL-MSOLQXFVSA-N 2 1 335.492 1.573 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)[C@@H]1CC[NH+](CC2CC2)C1 ZINC001033140772 711940321 /nfs/dbraw/zinc/94/03/21/711940321.db2.gz JIRJINQFPPSTPL-MSOLQXFVSA-N 2 1 335.492 1.573 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)cc2F)CC1 ZINC000186711334 712233045 /nfs/dbraw/zinc/23/30/45/712233045.db2.gz JHHRKNHASNZFNO-PBHICJAKSA-N 2 1 348.466 1.695 20 0 EDADMP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439775 712589507 /nfs/dbraw/zinc/58/95/07/712589507.db2.gz JGTFLUZYWQADGP-QRVBRYPASA-N 2 1 345.487 1.511 20 0 EDADMP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439775 712589508 /nfs/dbraw/zinc/58/95/08/712589508.db2.gz JGTFLUZYWQADGP-QRVBRYPASA-N 2 1 345.487 1.511 20 0 EDADMP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439775 712589509 /nfs/dbraw/zinc/58/95/09/712589509.db2.gz JGTFLUZYWQADGP-QRVBRYPASA-N 2 1 345.487 1.511 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CC([N@@H+](C)Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000349111015 539396631 /nfs/dbraw/zinc/39/66/31/539396631.db2.gz VLUPPWBYNPYPDC-MBOZVWFJSA-N 2 1 347.503 1.273 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCCc3ccccc3CC2)C1=O ZINC000560074633 306260744 /nfs/dbraw/zinc/26/07/44/306260744.db2.gz GBFJZNHGBPVROQ-SFHVURJKSA-N 2 1 343.471 1.557 20 0 EDADMP COc1ccc(COC[C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000560583327 306275194 /nfs/dbraw/zinc/27/51/94/306275194.db2.gz BXXXFRNGKFHRBQ-SFHVURJKSA-N 2 1 334.460 1.789 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000333673265 539641433 /nfs/dbraw/zinc/64/14/33/539641433.db2.gz NNBRSTRQALRRIF-KZNAEPCWSA-N 2 1 330.476 1.825 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000333673265 539641437 /nfs/dbraw/zinc/64/14/37/539641437.db2.gz NNBRSTRQALRRIF-KZNAEPCWSA-N 2 1 330.476 1.825 20 0 EDADMP CN(C)C(=O)COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339072810 539699259 /nfs/dbraw/zinc/69/92/59/539699259.db2.gz ZSXDEZFWMZYQOL-IRXDYDNUSA-N 2 1 331.460 1.870 20 0 EDADMP CN(C)C(=O)COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339072810 539699261 /nfs/dbraw/zinc/69/92/61/539699261.db2.gz ZSXDEZFWMZYQOL-IRXDYDNUSA-N 2 1 331.460 1.870 20 0 EDADMP OCC[C@H]1CCCCC[N@H+]1C[C@H](O)C[NH+]1CCCCC[C@H]1CCO ZINC000342041273 539756306 /nfs/dbraw/zinc/75/63/06/539756306.db2.gz BSSPVUHSOHGMDX-BWTSREIZSA-N 2 1 342.524 1.601 20 0 EDADMP OCC[C@H]1CCCCC[NH+]1C[C@H](O)C[N@@H+]1CCCCC[C@H]1CCO ZINC000342041273 539756311 /nfs/dbraw/zinc/75/63/11/539756311.db2.gz BSSPVUHSOHGMDX-BWTSREIZSA-N 2 1 342.524 1.601 20 0 EDADMP OCC[C@H]1CCCCC[NH+]1C[C@H](O)C[N@H+]1CCCCC[C@H]1CCO ZINC000342041273 539756318 /nfs/dbraw/zinc/75/63/18/539756318.db2.gz BSSPVUHSOHGMDX-BWTSREIZSA-N 2 1 342.524 1.601 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000342972925 539767879 /nfs/dbraw/zinc/76/78/79/539767879.db2.gz ADAKSSNILLLRIA-LSDHHAIUSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000075021031 535117521 /nfs/dbraw/zinc/11/75/21/535117521.db2.gz RRICOHJNAPENHO-IXDOHACOSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000075021031 535117527 /nfs/dbraw/zinc/11/75/27/535117527.db2.gz RRICOHJNAPENHO-IXDOHACOSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000075021031 535117533 /nfs/dbraw/zinc/11/75/33/535117533.db2.gz RRICOHJNAPENHO-IXDOHACOSA-N 2 1 325.497 1.722 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000152695191 539826523 /nfs/dbraw/zinc/82/65/23/539826523.db2.gz MIEGGHQORBABBP-HOCLYGCPSA-N 2 1 326.485 1.269 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000152695191 539826528 /nfs/dbraw/zinc/82/65/28/539826528.db2.gz MIEGGHQORBABBP-HOCLYGCPSA-N 2 1 326.485 1.269 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000562839295 306311015 /nfs/dbraw/zinc/31/10/15/306311015.db2.gz LGIHTQDPEXLOQM-GGPKGHCWSA-N 2 1 347.503 1.956 20 0 EDADMP COc1ccc([C@H](CN)C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000562839295 306311016 /nfs/dbraw/zinc/31/10/16/306311016.db2.gz LGIHTQDPEXLOQM-GGPKGHCWSA-N 2 1 347.503 1.956 20 0 EDADMP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000264158091 283042034 /nfs/dbraw/zinc/04/20/34/283042034.db2.gz AVTXENFHSWVXIN-MAUKXSAKSA-N 2 1 331.460 1.252 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000264158091 283042035 /nfs/dbraw/zinc/04/20/35/283042035.db2.gz AVTXENFHSWVXIN-MAUKXSAKSA-N 2 1 331.460 1.252 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nc(N(C)C)n[nH]3)CC2)CC1 ZINC000563399157 306331679 /nfs/dbraw/zinc/33/16/79/306331679.db2.gz VKBGUQJJDHDOKJ-UHFFFAOYSA-N 2 1 349.483 1.006 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000563446051 306333746 /nfs/dbraw/zinc/33/37/46/306333746.db2.gz JJCFGCKFTFTKLJ-UHFFFAOYSA-N 2 1 342.443 1.039 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CCCC1 ZINC000563560665 306338996 /nfs/dbraw/zinc/33/89/96/306338996.db2.gz QEABSAJTCFCBIY-INIZCTEOSA-N 2 1 331.464 1.612 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCN2C(=O)NC3(CCCC3)C2=O)[C@H](C)C1 ZINC000081095311 138265452 /nfs/dbraw/zinc/26/54/52/138265452.db2.gz CDJZGLRCMWNOQI-HUUCEWRRSA-N 2 1 336.480 1.513 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCN2C(=O)NC3(CCCC3)C2=O)[C@H](C)C1 ZINC000081095311 138265453 /nfs/dbraw/zinc/26/54/53/138265453.db2.gz CDJZGLRCMWNOQI-HUUCEWRRSA-N 2 1 336.480 1.513 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)[C@H](C)C1 ZINC000081095311 138265454 /nfs/dbraw/zinc/26/54/54/138265454.db2.gz CDJZGLRCMWNOQI-HUUCEWRRSA-N 2 1 336.480 1.513 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)[C@H](C)C1 ZINC000081095311 138265455 /nfs/dbraw/zinc/26/54/55/138265455.db2.gz CDJZGLRCMWNOQI-HUUCEWRRSA-N 2 1 336.480 1.513 20 0 EDADMP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000125621653 138335155 /nfs/dbraw/zinc/33/51/55/138335155.db2.gz VLFOVAJWFYWQQI-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000125621653 138335156 /nfs/dbraw/zinc/33/51/56/138335156.db2.gz VLFOVAJWFYWQQI-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000563799472 306347609 /nfs/dbraw/zinc/34/76/09/306347609.db2.gz NMQCLKRIYMWJOY-RCCFBDPRSA-N 2 1 330.476 1.682 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000563799472 306347610 /nfs/dbraw/zinc/34/76/10/306347610.db2.gz NMQCLKRIYMWJOY-RCCFBDPRSA-N 2 1 330.476 1.682 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000351744106 283320449 /nfs/dbraw/zinc/32/04/49/283320449.db2.gz JTVWQDLILBZPNT-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564321459 306358227 /nfs/dbraw/zinc/35/82/27/306358227.db2.gz KZFGMBKIUOUPND-HUUCEWRRSA-N 2 1 336.432 1.477 20 0 EDADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC000564978552 306371843 /nfs/dbraw/zinc/37/18/43/306371843.db2.gz NIZCOKIRUDVQEG-RTBURBONSA-N 2 1 336.476 1.247 20 0 EDADMP Cn1cc(C(=O)NCC2CC[NH+](CCCc3c[nH+]cn3C)CC2)cn1 ZINC000565157140 306376390 /nfs/dbraw/zinc/37/63/90/306376390.db2.gz OASGZYYTIAGGGE-UHFFFAOYSA-N 2 1 344.463 1.228 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)CCCO1 ZINC000565354848 306382111 /nfs/dbraw/zinc/38/21/11/306382111.db2.gz ZWEFXLHUURBRCE-FUHWJXTLSA-N 2 1 331.460 1.620 20 0 EDADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414323790 304106270 /nfs/dbraw/zinc/10/62/70/304106270.db2.gz WCEBLSKBLRUNAV-ZDUSSCGKSA-N 2 1 345.896 1.809 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414323790 304106272 /nfs/dbraw/zinc/10/62/72/304106272.db2.gz WCEBLSKBLRUNAV-ZDUSSCGKSA-N 2 1 345.896 1.809 20 0 EDADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc2c(c1)OCO2 ZINC000565716712 306389738 /nfs/dbraw/zinc/38/97/38/306389738.db2.gz MPWRNIVMXXPDKY-GOSISDBHSA-N 2 1 331.416 1.819 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1 ZINC000566096299 306398983 /nfs/dbraw/zinc/39/89/83/306398983.db2.gz HHNAHJQDOWMSAD-MLGOLLRUSA-N 2 1 326.400 1.979 20 0 EDADMP CCO[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000451544683 305352575 /nfs/dbraw/zinc/35/25/75/305352575.db2.gz QFNJIPFZAQMMJD-DOTOQJQBSA-N 2 1 325.497 1.722 20 0 EDADMP CC[N@H+](Cc1ccc(OC)cc1OC)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414732370 304134218 /nfs/dbraw/zinc/13/42/18/304134218.db2.gz AAMLGWDWBUKOPK-HNNXBMFYSA-N 2 1 349.475 1.723 20 0 EDADMP CCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C[NH2+]CC)c2)CC1 ZINC000414745673 304136527 /nfs/dbraw/zinc/13/65/27/304136527.db2.gz PUUWOZKUKARDCJ-UHFFFAOYSA-N 2 1 332.448 1.289 20 0 EDADMP CN1CCN(c2ncc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2)CC1 ZINC000414773663 304139396 /nfs/dbraw/zinc/13/93/96/304139396.db2.gz DQRIAHJDCWCIEV-MSOLQXFVSA-N 2 1 344.507 1.050 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2)CC1 ZINC000414773663 304139398 /nfs/dbraw/zinc/13/93/98/304139398.db2.gz DQRIAHJDCWCIEV-MSOLQXFVSA-N 3 1 344.507 1.050 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2)CC1 ZINC000414773663 304139400 /nfs/dbraw/zinc/13/94/00/304139400.db2.gz DQRIAHJDCWCIEV-MSOLQXFVSA-N 3 1 344.507 1.050 20 0 EDADMP O=C(CC[NH2+]C1CC1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000566747676 306427506 /nfs/dbraw/zinc/42/75/06/306427506.db2.gz IEZJYNFWUDDVRC-UHFFFAOYSA-N 2 1 337.386 1.242 20 0 EDADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000109627399 204287711 /nfs/dbraw/zinc/28/77/11/204287711.db2.gz JENRYCZINAXFLX-IRXDYDNUSA-N 2 1 346.519 1.868 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)N1CC[NH+](C)CC1 ZINC000108450487 204262727 /nfs/dbraw/zinc/26/27/27/204262727.db2.gz WZVXFVPODRHDBD-KRWDZBQOSA-N 2 1 344.503 1.899 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415132719 304162708 /nfs/dbraw/zinc/16/27/08/304162708.db2.gz UKIWNILHEOIAAX-GDBMZVCRSA-N 2 1 349.475 1.627 20 0 EDADMP Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000415136006 304163167 /nfs/dbraw/zinc/16/31/67/304163167.db2.gz GTWHVUPOXLKMGX-ZWKOTPCHSA-N 2 1 328.460 1.715 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415146095 304164697 /nfs/dbraw/zinc/16/46/97/304164697.db2.gz GCBDSHBOJFPHBQ-HZPDHXFCSA-N 2 1 330.432 1.169 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236598499 139026731 /nfs/dbraw/zinc/02/67/31/139026731.db2.gz MKRRNIGOWQAZTN-MSOLQXFVSA-N 2 1 333.476 1.719 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236598499 139026732 /nfs/dbraw/zinc/02/67/32/139026732.db2.gz MKRRNIGOWQAZTN-MSOLQXFVSA-N 2 1 333.476 1.719 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236805711 139032077 /nfs/dbraw/zinc/03/20/77/139032077.db2.gz YGRRCAKLKFUOOW-WMZOPIPTSA-N 2 1 333.476 1.892 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@@](C)(C[NH3+])C3CC3)cc2)CC1 ZINC000237214331 139044571 /nfs/dbraw/zinc/04/45/71/139044571.db2.gz VRBVWRUXYNDGMV-IBGZPJMESA-N 2 1 330.476 1.291 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000237348852 139048786 /nfs/dbraw/zinc/04/87/86/139048786.db2.gz CIGCMIOLPVFGEH-QAPCUYQASA-N 2 1 331.460 1.666 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000237348852 139048787 /nfs/dbraw/zinc/04/87/87/139048787.db2.gz CIGCMIOLPVFGEH-QAPCUYQASA-N 2 1 331.460 1.666 20 0 EDADMP COc1cccc([C@H](CNC(=O)c2csc(C[NH3+])n2)[NH+](C)C)c1 ZINC000237327959 139048192 /nfs/dbraw/zinc/04/81/92/139048192.db2.gz GWVXCWKBRIYASU-AWEZNQCLSA-N 2 1 334.445 1.643 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)oc1C ZINC000111659237 220177693 /nfs/dbraw/zinc/17/76/93/220177693.db2.gz HWWPXBITFUAKFJ-INIZCTEOSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)oc1C ZINC000111659237 220177696 /nfs/dbraw/zinc/17/76/96/220177696.db2.gz HWWPXBITFUAKFJ-INIZCTEOSA-N 2 1 334.464 1.714 20 0 EDADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000237957660 139065130 /nfs/dbraw/zinc/06/51/30/139065130.db2.gz DAGJHMXYQKTSLJ-IBGZPJMESA-N 2 1 339.439 1.472 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415277796 304183795 /nfs/dbraw/zinc/18/37/95/304183795.db2.gz FYNKGQZOZXILQU-AWEZNQCLSA-N 2 1 344.459 1.119 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000158468016 206192354 /nfs/dbraw/zinc/19/23/54/206192354.db2.gz MKLZCEPKOVPOAL-CEXWTWQISA-N 2 1 345.487 1.911 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000158468016 206192359 /nfs/dbraw/zinc/19/23/59/206192359.db2.gz MKLZCEPKOVPOAL-CEXWTWQISA-N 2 1 345.487 1.911 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246137755 139096344 /nfs/dbraw/zinc/09/63/44/139096344.db2.gz KFENWBYZPQYLKN-STQMWFEESA-N 2 1 345.447 1.457 20 0 EDADMP CN(CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)S(=O)(=O)c1cccs1 ZINC000246418123 139107675 /nfs/dbraw/zinc/10/76/75/139107675.db2.gz NAOHORALSMWKGY-KBPBESRZSA-N 2 1 343.518 1.585 20 0 EDADMP CN(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)S(=O)(=O)c1cccs1 ZINC000246418123 139107676 /nfs/dbraw/zinc/10/76/76/139107676.db2.gz NAOHORALSMWKGY-KBPBESRZSA-N 2 1 343.518 1.585 20 0 EDADMP CN(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)S(=O)(=O)c1cccs1 ZINC000246418123 139107677 /nfs/dbraw/zinc/10/76/77/139107677.db2.gz NAOHORALSMWKGY-KBPBESRZSA-N 2 1 343.518 1.585 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(N3CCOCC3)CCSC2)[C@@H](C)C1 ZINC000246944257 139127933 /nfs/dbraw/zinc/12/79/33/139127933.db2.gz HTXNITWKJOJWGA-YESZJQIVSA-N 2 1 327.538 1.514 20 0 EDADMP NC(=O)NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248164817 139158954 /nfs/dbraw/zinc/15/89/54/139158954.db2.gz STHOMUDGVUZUIL-IAGOWNOFSA-N 2 1 344.459 1.558 20 0 EDADMP CC[C@H]1C[C@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCO1 ZINC000248548344 139166939 /nfs/dbraw/zinc/16/69/39/139166939.db2.gz JWKYZQQZSFDXOJ-BBCBXFPWSA-N 2 1 349.519 1.961 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248709347 139172621 /nfs/dbraw/zinc/17/26/21/139172621.db2.gz BWQQWNZUMSRLOZ-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248709347 139172622 /nfs/dbraw/zinc/17/26/22/139172622.db2.gz BWQQWNZUMSRLOZ-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248709347 139172623 /nfs/dbraw/zinc/17/26/23/139172623.db2.gz BWQQWNZUMSRLOZ-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000248766435 139174749 /nfs/dbraw/zinc/17/47/49/139174749.db2.gz GZHUXYDMIPJBBO-FUHWJXTLSA-N 2 1 348.491 1.384 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248766435 139174750 /nfs/dbraw/zinc/17/47/50/139174750.db2.gz GZHUXYDMIPJBBO-FUHWJXTLSA-N 2 1 348.491 1.384 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248766435 139174751 /nfs/dbraw/zinc/17/47/51/139174751.db2.gz GZHUXYDMIPJBBO-FUHWJXTLSA-N 2 1 348.491 1.384 20 0 EDADMP CN(C(=O)c1csc(CC[NH3+])n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261543638 139208659 /nfs/dbraw/zinc/20/86/59/139208659.db2.gz DCWVTQWYXXHJAL-OAHLLOKOSA-N 2 1 344.484 1.991 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261561742 139209102 /nfs/dbraw/zinc/20/91/02/139209102.db2.gz VTDFAEBOGCCZIO-CGTJXYLNSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000261654500 139214806 /nfs/dbraw/zinc/21/48/06/139214806.db2.gz FSKDFDXHNZDHRA-NVXWUHKLSA-N 2 1 330.476 1.243 20 0 EDADMP C[C@@]1(C[NH3+])CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000261769491 139224558 /nfs/dbraw/zinc/22/45/58/139224558.db2.gz SAVHSIJQFYUYED-IBGZPJMESA-N 2 1 330.476 1.002 20 0 EDADMP Clc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)nc1 ZINC000261845166 139231011 /nfs/dbraw/zinc/23/10/11/139231011.db2.gz AQWLCELGXFQZOZ-RBSFLKMASA-N 2 1 325.840 1.861 20 0 EDADMP c1ncn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cc2)n1 ZINC000261923486 139237514 /nfs/dbraw/zinc/23/75/14/139237514.db2.gz KRXBKXUGQVOPEP-GUDVDZBRSA-N 2 1 341.459 1.573 20 0 EDADMP O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262031931 139245295 /nfs/dbraw/zinc/24/52/95/139245295.db2.gz XQIAVAKWNAUKRX-ZACQAIPSSA-N 2 1 347.459 1.631 20 0 EDADMP c1cc(N2CCOCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262019370 139244344 /nfs/dbraw/zinc/24/43/44/139244344.db2.gz WLZPFPPVPXQBHI-KSZLIROESA-N 2 1 346.475 1.165 20 0 EDADMP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2cnc(N)s2)CCCN1C ZINC000262075517 139248907 /nfs/dbraw/zinc/24/89/07/139248907.db2.gz CBJMFXVHLADNQE-SWLSCSKDSA-N 2 1 334.493 1.974 20 0 EDADMP COc1cc2c(c(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)c1)O[C@@H](C)C2 ZINC000262113424 139251971 /nfs/dbraw/zinc/25/19/71/139251971.db2.gz KSNMRMRFNKJYAK-YOEHRIQHSA-N 2 1 331.460 1.498 20 0 EDADMP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262110082 139251624 /nfs/dbraw/zinc/25/16/24/139251624.db2.gz KEKLWSWIMGTDBV-ICSRJNTNSA-N 2 1 345.487 1.724 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(OC(F)F)c1 ZINC000262123253 139252858 /nfs/dbraw/zinc/25/28/58/139252858.db2.gz MKQSMQSBFBMUMA-CQSZACIVSA-N 2 1 341.402 1.776 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(OC(F)F)c1 ZINC000262123253 139252859 /nfs/dbraw/zinc/25/28/59/139252859.db2.gz MKQSMQSBFBMUMA-CQSZACIVSA-N 2 1 341.402 1.776 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416150281 251054564 /nfs/dbraw/zinc/05/45/64/251054564.db2.gz JFVQNLCZRADLHJ-IBGZPJMESA-N 2 1 345.487 1.662 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416150281 251054567 /nfs/dbraw/zinc/05/45/67/251054567.db2.gz JFVQNLCZRADLHJ-IBGZPJMESA-N 2 1 345.487 1.662 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416150281 251054571 /nfs/dbraw/zinc/05/45/71/251054571.db2.gz JFVQNLCZRADLHJ-IBGZPJMESA-N 2 1 345.487 1.662 20 0 EDADMP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000262273210 139265598 /nfs/dbraw/zinc/26/55/98/139265598.db2.gz WZJNRMFYOSVXRG-HXUWFJFHSA-N 2 1 337.467 1.943 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000417016813 251135265 /nfs/dbraw/zinc/13/52/65/251135265.db2.gz ITDCDIOHZFBVBH-KRWDZBQOSA-N 2 1 347.507 1.183 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000417220544 251148391 /nfs/dbraw/zinc/14/83/91/251148391.db2.gz LPTMULLKPOOTLQ-KGLIPLIRSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000417220544 251148394 /nfs/dbraw/zinc/14/83/94/251148394.db2.gz LPTMULLKPOOTLQ-KGLIPLIRSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417306827 251154315 /nfs/dbraw/zinc/15/43/15/251154315.db2.gz ATWLHTQQVIKFAZ-BEFAXECRSA-N 2 1 330.476 1.814 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417306815 251154572 /nfs/dbraw/zinc/15/45/72/251154572.db2.gz AROLKVUMRJFSMU-HNAYVOBHSA-N 2 1 348.466 1.776 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)[N@H+]1CCc2ccccc2C1 ZINC000417306815 251154576 /nfs/dbraw/zinc/15/45/76/251154576.db2.gz AROLKVUMRJFSMU-HNAYVOBHSA-N 2 1 348.466 1.776 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000262393718 139275734 /nfs/dbraw/zinc/27/57/34/139275734.db2.gz OMBXVPYKSIOWNK-VQIMIIECSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000417815336 251280328 /nfs/dbraw/zinc/28/03/28/251280328.db2.gz BWJSUFJGMIJSRF-JFIYKMOQSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000417815335 251280373 /nfs/dbraw/zinc/28/03/73/251280373.db2.gz BWJSUFJGMIJSRF-BQFCYCMXSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000417872700 251307686 /nfs/dbraw/zinc/30/76/86/251307686.db2.gz LDTMOMMYEMIGJJ-OWLYRPNTSA-N 2 1 328.460 1.510 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417873597 251309581 /nfs/dbraw/zinc/30/95/81/251309581.db2.gz LZWSMNCOVKIKHI-CRAIPNDOSA-N 2 1 330.476 1.682 20 0 EDADMP O=C(NCC[C@H]1CC[NH2+]C1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418108469 251325026 /nfs/dbraw/zinc/32/50/26/251325026.db2.gz RMBSZDLMXGKUQT-SJLPKXTDSA-N 2 1 330.476 1.807 20 0 EDADMP O=C(NCCC[NH2+]C1CC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418109261 251325370 /nfs/dbraw/zinc/32/53/70/251325370.db2.gz TWQNOHGEUKJAPO-QGZVFWFLSA-N 2 1 330.476 1.950 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000418113392 251326274 /nfs/dbraw/zinc/32/62/74/251326274.db2.gz JHZOXOBMPSDHJL-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000262487545 139281946 /nfs/dbraw/zinc/28/19/46/139281946.db2.gz VORLSEQGTGFMID-UONOGXRCSA-N 2 1 338.883 1.562 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000418422873 251367139 /nfs/dbraw/zinc/36/71/39/251367139.db2.gz DPXGQFVAZITCBK-HNNXBMFYSA-N 2 1 328.501 1.360 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC([NH3+])(CC)CC)C[C@H]1CC ZINC000418444796 251372308 /nfs/dbraw/zinc/37/23/08/251372308.db2.gz XBHRJGJLGUMFOB-OAHLLOKOSA-N 2 1 328.501 1.646 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000418136775 251341492 /nfs/dbraw/zinc/34/14/92/251341492.db2.gz ILDGCLKTCQSKMB-MSOLQXFVSA-N 2 1 330.476 1.900 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC000418201712 251357107 /nfs/dbraw/zinc/35/71/07/251357107.db2.gz SGPAVPYYSHALFC-GDBMZVCRSA-N 2 1 331.464 1.869 20 0 EDADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000176636023 207246112 /nfs/dbraw/zinc/24/61/12/207246112.db2.gz UWFAJKAOVPWKAQ-OAHLLOKOSA-N 2 1 331.526 1.464 20 0 EDADMP [NH3+]CCCC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000262650717 139293111 /nfs/dbraw/zinc/29/31/11/139293111.db2.gz QWEHNFQUSCAUGT-UHFFFAOYSA-N 2 1 338.883 1.707 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc2c(c1)OCCO2 ZINC000420346270 251688971 /nfs/dbraw/zinc/68/89/71/251688971.db2.gz XYJNRPXDUXPVQC-GJZGRUSLSA-N 2 1 345.443 1.718 20 0 EDADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000262746640 139300801 /nfs/dbraw/zinc/30/08/01/139300801.db2.gz JNGIDVKBGABEQC-YJBOKZPZSA-N 2 1 330.476 1.162 20 0 EDADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000262746637 139300827 /nfs/dbraw/zinc/30/08/27/139300827.db2.gz JNGIDVKBGABEQC-MAUKXSAKSA-N 2 1 330.476 1.162 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)cs1 ZINC000262766242 139302184 /nfs/dbraw/zinc/30/21/84/139302184.db2.gz ATUWSQUZTYYMES-DOMZBBRYSA-N 2 1 336.505 1.920 20 0 EDADMP CC[C@H](NC(=O)C[C@@H](C[NH3+])OC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262797012 139304281 /nfs/dbraw/zinc/30/42/81/139304281.db2.gz DTHLUKDPSCHXJC-BZSNNMDCSA-N 2 1 349.475 1.146 20 0 EDADMP CC[C@H](NC(=O)C[C@@H](C[NH3+])OC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262797012 139304282 /nfs/dbraw/zinc/30/42/82/139304282.db2.gz DTHLUKDPSCHXJC-BZSNNMDCSA-N 2 1 349.475 1.146 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000423782682 252071606 /nfs/dbraw/zinc/07/16/06/252071606.db2.gz IZSMALAHWIHFBJ-XHSDSOJGSA-N 2 1 339.480 1.380 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422912032 252020353 /nfs/dbraw/zinc/02/03/53/252020353.db2.gz MFCHBBGCRZSWQR-JWTNVVGKSA-N 2 1 330.476 1.351 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000423799937 252080488 /nfs/dbraw/zinc/08/04/88/252080488.db2.gz KYJBVRSIPNKNRE-CABCVRRESA-N 2 1 334.468 1.053 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424143889 252141274 /nfs/dbraw/zinc/14/12/74/252141274.db2.gz GTOQAYDZASECCP-JKSUJKDBSA-N 2 1 347.507 1.737 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424156781 252146810 /nfs/dbraw/zinc/14/68/10/252146810.db2.gz OUBYUZKLJWIORM-HZPDHXFCSA-N 2 1 348.495 1.587 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000424218779 252168102 /nfs/dbraw/zinc/16/81/02/252168102.db2.gz WZGDKMITBDXAKB-AWEZNQCLSA-N 2 1 349.479 1.060 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424136359 252137639 /nfs/dbraw/zinc/13/76/39/252137639.db2.gz AKEMSPQAQZXUFL-JKSUJKDBSA-N 2 1 345.491 1.681 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000424428009 252225174 /nfs/dbraw/zinc/22/51/74/252225174.db2.gz RHRFEKPKSSOESO-AWEZNQCLSA-N 2 1 334.464 1.763 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000349904119 285023149 /nfs/dbraw/zinc/02/31/49/285023149.db2.gz PDWDLNLSOXEGHG-SJORKVTESA-N 2 1 338.496 1.367 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112284590 220285436 /nfs/dbraw/zinc/28/54/36/220285436.db2.gz WPAKKHRVZAENOZ-OAHLLOKOSA-N 2 1 333.480 1.294 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+](C)CCOC)c1ccco1 ZINC000263802902 139361402 /nfs/dbraw/zinc/36/14/02/139361402.db2.gz WKIUPIXJZCMSQX-OAHLLOKOSA-N 2 1 340.468 1.540 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCO[C@H]1C ZINC000359526523 285248831 /nfs/dbraw/zinc/24/88/31/285248831.db2.gz VHOYMHCZVQARGA-BBWFWOEESA-N 2 1 325.497 1.676 20 0 EDADMP CC[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000494197156 255241716 /nfs/dbraw/zinc/24/17/16/255241716.db2.gz CDKJHFRXHJUCEG-OAHLLOKOSA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415789190 304271374 /nfs/dbraw/zinc/27/13/74/304271374.db2.gz PIBUXOUZMHILDZ-HOCLYGCPSA-N 2 1 346.475 1.711 20 0 EDADMP C[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000496178897 255361992 /nfs/dbraw/zinc/36/19/92/255361992.db2.gz OWQTVUCDDSLXAA-ZIAGYGMSSA-N 2 1 341.500 1.888 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H](C)CNC(=O)OC(C)(C)C ZINC000496444153 255392779 /nfs/dbraw/zinc/39/27/79/255392779.db2.gz PGHNYYLFWZBCRV-OLZOCXBDSA-N 2 1 327.473 1.498 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)c1 ZINC000415907044 304284790 /nfs/dbraw/zinc/28/47/90/304284790.db2.gz MESJEJLMRJROEJ-HNNXBMFYSA-N 2 1 334.464 1.981 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)c1 ZINC000415907044 304284791 /nfs/dbraw/zinc/28/47/91/304284791.db2.gz MESJEJLMRJROEJ-HNNXBMFYSA-N 2 1 334.464 1.981 20 0 EDADMP COCC[NH2+]C1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000570973845 306554939 /nfs/dbraw/zinc/55/49/39/306554939.db2.gz IWOHGGZZXQYDNH-UHFFFAOYSA-N 2 1 336.432 1.885 20 0 EDADMP C[NH+](C)[C@H](CC(=O)N1CCC([N@@H+](C)CCO)CC1)c1ccccc1 ZINC000416182993 304294045 /nfs/dbraw/zinc/29/40/45/304294045.db2.gz WSGYXQUGEWZZQU-GOSISDBHSA-N 2 1 333.476 1.595 20 0 EDADMP O=S(=O)(NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000271454106 140297766 /nfs/dbraw/zinc/29/77/66/140297766.db2.gz FCTDPSCANQJSSP-OLZOCXBDSA-N 2 1 329.491 1.243 20 0 EDADMP O=S(=O)(NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000271454106 140297767 /nfs/dbraw/zinc/29/77/67/140297767.db2.gz FCTDPSCANQJSSP-OLZOCXBDSA-N 2 1 329.491 1.243 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)CC1 ZINC000331318443 141007180 /nfs/dbraw/zinc/00/71/80/141007180.db2.gz KDZSAJLATWNKKP-DOTOQJQBSA-N 2 1 325.497 1.601 20 0 EDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC[NH2+]1 ZINC000331813342 141083801 /nfs/dbraw/zinc/08/38/01/141083801.db2.gz UCAROQCYERHGLD-BFYDXBDKSA-N 2 1 343.537 1.701 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3cc(C)[nH]n3)CC2)CC1 ZINC000332008097 141109640 /nfs/dbraw/zinc/10/96/40/141109640.db2.gz YXFGMOOXILCGNN-UHFFFAOYSA-N 2 1 333.480 1.498 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3cc(C)n[nH]3)CC2)CC1 ZINC000332008097 141109641 /nfs/dbraw/zinc/10/96/41/141109641.db2.gz YXFGMOOXILCGNN-UHFFFAOYSA-N 2 1 333.480 1.498 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000332061539 141116670 /nfs/dbraw/zinc/11/66/70/141116670.db2.gz YFAGUBVLTUNWBO-IIDMSEBBSA-N 2 1 330.476 1.812 20 0 EDADMP C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC000332926081 141245210 /nfs/dbraw/zinc/24/52/10/141245210.db2.gz CWIGFLVQRXZFBG-RDJZCZTQSA-N 2 1 345.491 1.819 20 0 EDADMP O[C@@H](Cn1cccn1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333019033 141251069 /nfs/dbraw/zinc/25/10/69/141251069.db2.gz HXFMJWABSIXFJN-QGZVFWFLSA-N 2 1 329.448 1.656 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)C1 ZINC000333260486 141289046 /nfs/dbraw/zinc/28/90/46/141289046.db2.gz DUISDPICGNUIGM-UONOGXRCSA-N 2 1 332.448 1.251 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000333815298 141386972 /nfs/dbraw/zinc/38/69/72/141386972.db2.gz GMPAJIGXJSXDCL-WBVHZDCISA-N 2 1 331.464 1.800 20 0 EDADMP C[C@H](CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@@H+](C)C1CC1 ZINC000339498359 142060624 /nfs/dbraw/zinc/06/06/24/142060624.db2.gz QPILSXDDKKTBLO-GFCCVEGCSA-N 2 1 338.496 1.011 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000339542715 142071693 /nfs/dbraw/zinc/07/16/93/142071693.db2.gz MRTHRPCZZYOMCO-IAGOWNOFSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H]([NH3+])CC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000340177691 142292924 /nfs/dbraw/zinc/29/29/24/142292924.db2.gz UAPKSXVHKJHUCS-KRWDZBQOSA-N 2 1 332.492 1.438 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000340213604 142305689 /nfs/dbraw/zinc/30/56/89/142305689.db2.gz JEOPMELABFMERI-MRXNPFEDSA-N 2 1 340.512 1.025 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000340274692 142327075 /nfs/dbraw/zinc/32/70/75/142327075.db2.gz ZJFUDEYAXHOIBI-IRXDYDNUSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000345209066 143064676 /nfs/dbraw/zinc/06/46/76/143064676.db2.gz KKWVOZCMTYZLND-WMZOPIPTSA-N 2 1 345.487 1.327 20 0 EDADMP CC[N@@H+](CCNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)C(C)C ZINC000345356955 143081922 /nfs/dbraw/zinc/08/19/22/143081922.db2.gz TYPCGNGMCBIMMU-MRXNPFEDSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCC[N@H+]1C ZINC000345434661 143090749 /nfs/dbraw/zinc/09/07/49/143090749.db2.gz WXAXYXJVRRZUCN-NXHRZFHOSA-N 2 1 332.492 1.941 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](CCOC)CC2)C[C@@H]1C ZINC000345739107 143127417 /nfs/dbraw/zinc/12/74/17/143127417.db2.gz NIAMJLQABPVHOW-GJZGRUSLSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000345800686 143135017 /nfs/dbraw/zinc/13/50/17/143135017.db2.gz YEBGQLYTVGKEEE-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)c2ccnc(N3CCN(C)CC3)c2)C[C@H]1C ZINC000345897461 143144563 /nfs/dbraw/zinc/14/45/63/143144563.db2.gz BNFBQFWOGWYLOB-CVEARBPZSA-N 2 1 345.491 1.388 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1C ZINC000345897461 143144565 /nfs/dbraw/zinc/14/45/65/143144565.db2.gz BNFBQFWOGWYLOB-CVEARBPZSA-N 2 1 345.491 1.388 20 0 EDADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000346146292 143172218 /nfs/dbraw/zinc/17/22/18/143172218.db2.gz INXVMKMAMGGCBE-MJGOQNOKSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000346146292 143172219 /nfs/dbraw/zinc/17/22/19/143172219.db2.gz INXVMKMAMGGCBE-MJGOQNOKSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000346146292 143172220 /nfs/dbraw/zinc/17/22/20/143172220.db2.gz INXVMKMAMGGCBE-MJGOQNOKSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000346146292 143172221 /nfs/dbraw/zinc/17/22/21/143172221.db2.gz INXVMKMAMGGCBE-MJGOQNOKSA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000346222070 143180358 /nfs/dbraw/zinc/18/03/58/143180358.db2.gz OPDOEALPUZNOTD-GOSISDBHSA-N 2 1 346.475 1.271 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000346222070 143180359 /nfs/dbraw/zinc/18/03/59/143180359.db2.gz OPDOEALPUZNOTD-GOSISDBHSA-N 2 1 346.475 1.271 20 0 EDADMP COC(C)(C)CC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000346235573 143181881 /nfs/dbraw/zinc/18/18/81/143181881.db2.gz GJFJTSHDIHEBSM-QGZVFWFLSA-N 2 1 327.513 1.528 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)[NH+](C)C1 ZINC000346248456 143183298 /nfs/dbraw/zinc/18/32/98/143183298.db2.gz XCCOTWWMPYTOQV-MWDXBVQZSA-N 2 1 340.512 1.610 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)[N@H+](C)C1 ZINC000346248456 143183299 /nfs/dbraw/zinc/18/32/99/143183299.db2.gz XCCOTWWMPYTOQV-MWDXBVQZSA-N 2 1 340.512 1.610 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)[N@@H+](C)C1 ZINC000346248456 143183300 /nfs/dbraw/zinc/18/33/00/143183300.db2.gz XCCOTWWMPYTOQV-MWDXBVQZSA-N 2 1 340.512 1.610 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)c3ccnc(N4CC[NH+](C)CC4)c3)C2)C1 ZINC000346260772 143184489 /nfs/dbraw/zinc/18/44/89/143184489.db2.gz APTZWFUVYSSJAZ-IBGZPJMESA-N 2 1 343.475 1.001 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000346637961 143224683 /nfs/dbraw/zinc/22/46/83/143224683.db2.gz XPHTUKXUQKURTB-OAHLLOKOSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000346637961 143224684 /nfs/dbraw/zinc/22/46/84/143224684.db2.gz XPHTUKXUQKURTB-OAHLLOKOSA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)[NH+](C)CC(=O)Nc1cc(CNC(=O)C[N@H+](C)C(C)C)ccn1 ZINC000346637605 143224750 /nfs/dbraw/zinc/22/47/50/143224750.db2.gz OUQMSOWLQOBFIN-UHFFFAOYSA-N 2 1 349.479 1.317 20 0 EDADMP CC(C)[NH+](C)CC(=O)NCc1ccnc(NC(=O)C[N@H+](C)C(C)C)c1 ZINC000346637605 143224751 /nfs/dbraw/zinc/22/47/51/143224751.db2.gz OUQMSOWLQOBFIN-UHFFFAOYSA-N 2 1 349.479 1.317 20 0 EDADMP CC(C)[NH+](C)CC(=O)NCc1ccnc(NC(=O)C[N@@H+](C)C(C)C)c1 ZINC000346637605 143224752 /nfs/dbraw/zinc/22/47/52/143224752.db2.gz OUQMSOWLQOBFIN-UHFFFAOYSA-N 2 1 349.479 1.317 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000347043725 143275535 /nfs/dbraw/zinc/27/55/35/143275535.db2.gz LTMXDLQRTOIRBI-CABCVRRESA-N 2 1 340.512 1.212 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000347046894 143276036 /nfs/dbraw/zinc/27/60/36/143276036.db2.gz AFXSCEALLNBGPF-UHFFFAOYSA-N 2 1 328.501 1.254 20 0 EDADMP C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000347147260 143287617 /nfs/dbraw/zinc/28/76/17/143287617.db2.gz MOIVXMUTRSTJEK-CVEARBPZSA-N 2 1 325.497 1.412 20 0 EDADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347227839 143297515 /nfs/dbraw/zinc/29/75/15/143297515.db2.gz WMWXGDBPVCMEQN-WEBJUUICSA-N 2 1 343.471 1.852 20 0 EDADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000347490071 143328054 /nfs/dbraw/zinc/32/80/54/143328054.db2.gz BJBYESMBKVVSRL-GJZGRUSLSA-N 2 1 333.480 1.865 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000347490071 143328055 /nfs/dbraw/zinc/32/80/55/143328055.db2.gz BJBYESMBKVVSRL-GJZGRUSLSA-N 2 1 333.480 1.865 20 0 EDADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000347718643 143353890 /nfs/dbraw/zinc/35/38/90/143353890.db2.gz GRZCFMDGGYMRHU-INIZCTEOSA-N 2 1 348.491 1.711 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C)C(C)C ZINC000347752188 143358102 /nfs/dbraw/zinc/35/81/02/143358102.db2.gz BURRHQDBGXJLJM-HZPDHXFCSA-N 2 1 340.512 1.163 20 0 EDADMP CC(=O)[C@H](NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000347936767 143381165 /nfs/dbraw/zinc/38/11/65/143381165.db2.gz UKGLQZBFTCUMPZ-IDHHARJASA-N 2 1 337.508 1.959 20 0 EDADMP CC(=O)[C@H](NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000347936767 143381166 /nfs/dbraw/zinc/38/11/66/143381166.db2.gz UKGLQZBFTCUMPZ-IDHHARJASA-N 2 1 337.508 1.959 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCOC(C)C ZINC000348028936 143393213 /nfs/dbraw/zinc/39/32/13/143393213.db2.gz DJRWERUXZYRWHU-MRXNPFEDSA-N 2 1 349.541 1.089 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCOC(C)C ZINC000348028936 143393214 /nfs/dbraw/zinc/39/32/14/143393214.db2.gz DJRWERUXZYRWHU-MRXNPFEDSA-N 2 1 349.541 1.089 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000369682629 155133933 /nfs/dbraw/zinc/13/39/33/155133933.db2.gz FZZWMEKFPWLGAI-ATZDWAIDSA-N 2 1 349.519 1.866 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000369765852 155166471 /nfs/dbraw/zinc/16/64/71/155166471.db2.gz IMTIFHANAPICBG-TXCZRRACSA-N 2 1 331.460 1.945 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000369765852 155166473 /nfs/dbraw/zinc/16/64/73/155166473.db2.gz IMTIFHANAPICBG-TXCZRRACSA-N 2 1 331.460 1.945 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1C ZINC000369848642 155202479 /nfs/dbraw/zinc/20/24/79/155202479.db2.gz WBIZAEPIMVZDNP-CQSZACIVSA-N 2 1 331.420 1.364 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])CC(C)C)[C@@H](C)C1 ZINC000417669634 286060884 /nfs/dbraw/zinc/06/08/84/286060884.db2.gz MIZVSRGOYKMADO-ULQDDVLXSA-N 2 1 342.528 1.796 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])[NH+](C)C ZINC000416859226 304352402 /nfs/dbraw/zinc/35/24/02/304352402.db2.gz ZSFHOCLSJHPUCY-ZBFHGGJFSA-N 2 1 334.464 1.821 20 0 EDADMP COc1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)ccc1OC(C)C ZINC000352721366 149129041 /nfs/dbraw/zinc/12/90/41/149129041.db2.gz QELQQDZHXQPRBX-KRWDZBQOSA-N 2 1 333.476 1.962 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000352728981 149132547 /nfs/dbraw/zinc/13/25/47/149132547.db2.gz UJCPJGDCRWNEEY-HNNXBMFYSA-N 2 1 328.526 1.455 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000352728981 149132550 /nfs/dbraw/zinc/13/25/50/149132550.db2.gz UJCPJGDCRWNEEY-HNNXBMFYSA-N 2 1 328.526 1.455 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000352853008 149190762 /nfs/dbraw/zinc/19/07/62/149190762.db2.gz KGWJEVBZCRKCTL-RBUKOAKNSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000352853008 149190765 /nfs/dbraw/zinc/19/07/65/149190765.db2.gz KGWJEVBZCRKCTL-RBUKOAKNSA-N 2 1 345.487 1.614 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353106539 149288691 /nfs/dbraw/zinc/28/86/91/149288691.db2.gz CJNXHMUZSAHGJX-LVYZTWJOSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353106539 149288693 /nfs/dbraw/zinc/28/86/93/149288693.db2.gz CJNXHMUZSAHGJX-LVYZTWJOSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353106539 149288694 /nfs/dbraw/zinc/28/86/94/149288694.db2.gz CJNXHMUZSAHGJX-LVYZTWJOSA-N 2 1 338.496 1.364 20 0 EDADMP COCc1cccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000354897954 150018471 /nfs/dbraw/zinc/01/84/71/150018471.db2.gz NHJAHICWCRXEPK-UHFFFAOYSA-N 2 1 334.460 1.492 20 0 EDADMP CCn1cc(C[N@@H+](C)C[C@H]2C[C@@H](F)CN2Cc2nccn2C)cn1 ZINC000354926251 150035365 /nfs/dbraw/zinc/03/53/65/150035365.db2.gz QLMGGKBIDJQOCT-HZPDHXFCSA-N 2 1 334.443 1.681 20 0 EDADMP CCn1cc(CN(C)C[C@H]2C[C@@H](F)CN2Cc2nccn2C)cn1 ZINC000354926251 150035368 /nfs/dbraw/zinc/03/53/68/150035368.db2.gz QLMGGKBIDJQOCT-HZPDHXFCSA-N 2 1 334.443 1.681 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000355315900 150213000 /nfs/dbraw/zinc/21/30/00/150213000.db2.gz KVVONHBMRMGJLN-SFHVURJKSA-N 2 1 333.476 1.688 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000355315900 150213002 /nfs/dbraw/zinc/21/30/02/150213002.db2.gz KVVONHBMRMGJLN-SFHVURJKSA-N 2 1 333.476 1.688 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C(C)(C)C)C1 ZINC000355346848 150227005 /nfs/dbraw/zinc/22/70/05/150227005.db2.gz UIRFGLCLUTWXCV-IRXDYDNUSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C(C)(C)C)C1 ZINC000355346848 150227007 /nfs/dbraw/zinc/22/70/07/150227007.db2.gz UIRFGLCLUTWXCV-IRXDYDNUSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C(C)(C)C)C1 ZINC000355346848 150227008 /nfs/dbraw/zinc/22/70/08/150227008.db2.gz UIRFGLCLUTWXCV-IRXDYDNUSA-N 2 1 339.524 1.970 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000355482547 150287401 /nfs/dbraw/zinc/28/74/01/150287401.db2.gz PLOOZHABMPMRBI-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000355482547 150287404 /nfs/dbraw/zinc/28/74/04/150287404.db2.gz PLOOZHABMPMRBI-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000355482547 150287405 /nfs/dbraw/zinc/28/74/05/150287405.db2.gz PLOOZHABMPMRBI-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP C[C@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000357721475 151125260 /nfs/dbraw/zinc/12/52/60/151125260.db2.gz LJSHDCPKCUBIMF-AWEZNQCLSA-N 2 1 337.439 1.931 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000357721475 151125261 /nfs/dbraw/zinc/12/52/61/151125261.db2.gz LJSHDCPKCUBIMF-AWEZNQCLSA-N 2 1 337.439 1.931 20 0 EDADMP CC[N@H+](CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)C(C)C ZINC000357730155 151129249 /nfs/dbraw/zinc/12/92/49/151129249.db2.gz NKSVWUUQRXOHNY-HZPDHXFCSA-N 2 1 326.485 1.221 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)C(C)C ZINC000357730155 151129250 /nfs/dbraw/zinc/12/92/50/151129250.db2.gz NKSVWUUQRXOHNY-HZPDHXFCSA-N 2 1 326.485 1.221 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000358092028 151266767 /nfs/dbraw/zinc/26/67/67/151266767.db2.gz JHWCETBLAVSQJD-OAHLLOKOSA-N 2 1 338.496 1.437 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000358116353 151277073 /nfs/dbraw/zinc/27/70/73/151277073.db2.gz SRLQTBCFPKEGOU-MRXNPFEDSA-N 2 1 338.496 1.389 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000358116353 151277076 /nfs/dbraw/zinc/27/70/76/151277076.db2.gz SRLQTBCFPKEGOU-MRXNPFEDSA-N 2 1 338.496 1.389 20 0 EDADMP CCC[N@@H+](C)CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000358188151 151298820 /nfs/dbraw/zinc/29/88/20/151298820.db2.gz RRYXRRXJMQLOJE-UHFFFAOYSA-N 2 1 333.480 1.892 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCOCC)CC1 ZINC000358319720 151335324 /nfs/dbraw/zinc/33/53/24/151335324.db2.gz ZDLMNDYFIOWFLA-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCOCC)CC1 ZINC000358319720 151335326 /nfs/dbraw/zinc/33/53/26/151335326.db2.gz ZDLMNDYFIOWFLA-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000358507919 151399806 /nfs/dbraw/zinc/39/98/06/151399806.db2.gz VADWHJOGAQLAEV-OAHLLOKOSA-N 2 1 336.455 1.993 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000358507919 151399807 /nfs/dbraw/zinc/39/98/07/151399807.db2.gz VADWHJOGAQLAEV-OAHLLOKOSA-N 2 1 336.455 1.993 20 0 EDADMP CC(C)(CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000417090784 304371637 /nfs/dbraw/zinc/37/16/37/304371637.db2.gz YOUSZPPAPLSKNI-HDICACEKSA-N 2 1 342.487 1.684 20 0 EDADMP C[C@H](CNC(=O)N1CCC(C[NH3+])CC1)[N@@H+]1CCc2sccc2C1 ZINC000417093107 304371954 /nfs/dbraw/zinc/37/19/54/304371954.db2.gz ATMJCHMPJHCAGC-CYBMUJFWSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@H](CNC(=O)N1CCC(C[NH3+])CC1)[N@H+]1CCc2sccc2C1 ZINC000417093107 304371955 /nfs/dbraw/zinc/37/19/55/304371955.db2.gz ATMJCHMPJHCAGC-CYBMUJFWSA-N 2 1 336.505 1.875 20 0 EDADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417103320 304372653 /nfs/dbraw/zinc/37/26/53/304372653.db2.gz CWEBWTAFUATBIO-FGTMMUONSA-N 2 1 328.460 1.512 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000417114277 304373619 /nfs/dbraw/zinc/37/36/19/304373619.db2.gz NVHAQINHRNLNFR-MCIONIFRSA-N 2 1 336.505 1.873 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000417114277 304373621 /nfs/dbraw/zinc/37/36/21/304373621.db2.gz NVHAQINHRNLNFR-MCIONIFRSA-N 2 1 336.505 1.873 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000417115834 304374065 /nfs/dbraw/zinc/37/40/65/304374065.db2.gz PCEUGXNFAWLMHY-AWEZNQCLSA-N 2 1 326.391 1.544 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000417115834 304374066 /nfs/dbraw/zinc/37/40/66/304374066.db2.gz PCEUGXNFAWLMHY-AWEZNQCLSA-N 2 1 326.391 1.544 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)N(C)CC[NH3+])C[C@H](C)O1 ZINC000417117513 304374218 /nfs/dbraw/zinc/37/42/18/304374218.db2.gz SGWHVHYPLLWUGO-GASCZTMLSA-N 2 1 334.464 1.396 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)N(C)CC[NH3+])C[C@H](C)O1 ZINC000417117513 304374220 /nfs/dbraw/zinc/37/42/20/304374220.db2.gz SGWHVHYPLLWUGO-GASCZTMLSA-N 2 1 334.464 1.396 20 0 EDADMP O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000417138647 304376678 /nfs/dbraw/zinc/37/66/78/304376678.db2.gz OSTDVNPEGAQWMW-SJORKVTESA-N 2 1 331.464 1.487 20 0 EDADMP O=C(N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1(N2CCOCC2)CCC1 ZINC000360551027 152091279 /nfs/dbraw/zinc/09/12/79/152091279.db2.gz RFBYTBBWNKIXRR-WMZOPIPTSA-N 2 1 347.503 1.717 20 0 EDADMP CSC1(CNC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)CC[NH+](C)CC1 ZINC000360698177 152158717 /nfs/dbraw/zinc/15/87/17/152158717.db2.gz VMINDQALQBMFPQ-AWEZNQCLSA-N 2 1 328.526 1.407 20 0 EDADMP [NH3+]C[C@H](NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000417177392 304380676 /nfs/dbraw/zinc/38/06/76/304380676.db2.gz LTVDEQHGUXNIQX-KRWDZBQOSA-N 2 1 332.448 1.055 20 0 EDADMP COC(=O)CNC(=O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000370191916 155371216 /nfs/dbraw/zinc/37/12/16/155371216.db2.gz OEHCTGMVIINHMU-RDJZCZTQSA-N 2 1 347.459 1.118 20 0 EDADMP CCOC(=O)[C@H](CC(C)C)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363723684 153039331 /nfs/dbraw/zinc/03/93/31/153039331.db2.gz WXRARUGPYAWGLW-IRXDYDNUSA-N 2 1 325.497 1.676 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)NCC[NH+](C)C1CC1 ZINC000364145162 153154888 /nfs/dbraw/zinc/15/48/88/153154888.db2.gz QTBJBYAHBQJRRI-WMZOPIPTSA-N 2 1 345.491 1.810 20 0 EDADMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000364145162 153154890 /nfs/dbraw/zinc/15/48/90/153154890.db2.gz QTBJBYAHBQJRRI-WMZOPIPTSA-N 2 1 345.491 1.810 20 0 EDADMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000364145162 153154891 /nfs/dbraw/zinc/15/48/91/153154891.db2.gz QTBJBYAHBQJRRI-WMZOPIPTSA-N 2 1 345.491 1.810 20 0 EDADMP COC[C@]1(CNC(=O)NCC[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000417233095 304386705 /nfs/dbraw/zinc/38/67/05/304386705.db2.gz RKGUEUMIWGMOAW-GOSISDBHSA-N 2 1 334.464 1.186 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)[C@H]([NH3+])C3CCOCC3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000367188179 154034664 /nfs/dbraw/zinc/03/46/64/154034664.db2.gz UHENNZOWOZJBLG-HCXYKTFWSA-N 2 1 343.471 1.502 20 0 EDADMP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000367191151 154036045 /nfs/dbraw/zinc/03/60/45/154036045.db2.gz JOFRTFGEXRPZFL-BZSNNMDCSA-N 2 1 327.488 1.901 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCCN1CCOCC1(C)C ZINC000369428562 155029231 /nfs/dbraw/zinc/02/92/31/155029231.db2.gz VCDRMIZGHLNCBF-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1CN2CCCC[C@H]2CN1C(=O)NCCN1CCOCC1(C)C ZINC000369428562 155029232 /nfs/dbraw/zinc/02/92/32/155029232.db2.gz VCDRMIZGHLNCBF-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[NH+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000369582299 155097658 /nfs/dbraw/zinc/09/76/58/155097658.db2.gz AJJUNGHXWGRJDQ-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP C[NH+](C)[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCOc2ccccc21 ZINC000369601861 155106197 /nfs/dbraw/zinc/10/61/97/155106197.db2.gz MZLXONAVBBGOTN-YWZLYKJASA-N 2 1 343.471 1.827 20 0 EDADMP C[NH+](C)[C@@]1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCOc2ccccc21 ZINC000369601861 155106199 /nfs/dbraw/zinc/10/61/99/155106199.db2.gz MZLXONAVBBGOTN-YWZLYKJASA-N 2 1 343.471 1.827 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000371818528 156121415 /nfs/dbraw/zinc/12/14/15/156121415.db2.gz IBAQSTKRYYZLLY-QGZVFWFLSA-N 2 1 330.476 1.752 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)[C@@H](C)C1 ZINC000372056516 156227730 /nfs/dbraw/zinc/22/77/30/156227730.db2.gz QNNYYEPVZNTEPC-ZGRYLRDCSA-N 2 1 343.537 1.653 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[NH+](CC3CCOCC3)CC1)C2 ZINC000377940606 158034514 /nfs/dbraw/zinc/03/45/14/158034514.db2.gz KUVMXWRIIOEBII-QGZVFWFLSA-N 2 1 346.475 1.325 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+]C1CCN(c2nnc(C)s2)CC1 ZINC000378634886 158223587 /nfs/dbraw/zinc/22/35/87/158223587.db2.gz SFNYVGAGKBLKFO-UHFFFAOYSA-N 2 1 327.498 1.373 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000417962143 304439266 /nfs/dbraw/zinc/43/92/66/304439266.db2.gz CDCKEPOECRSJNJ-UHFFFAOYSA-N 2 1 327.379 1.191 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352141039 162009065 /nfs/dbraw/zinc/00/90/65/162009065.db2.gz PWVKYGQMUNPACW-HOCLYGCPSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C1 ZINC000351793074 287089735 /nfs/dbraw/zinc/08/97/35/287089735.db2.gz MSAUPMUPYNICLY-LSDHHAIUSA-N 2 1 340.512 1.346 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000073811105 287265027 /nfs/dbraw/zinc/26/50/27/287265027.db2.gz WWGPRDPKTAFEPA-AEFFLSMTSA-N 2 1 342.528 1.764 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000074065308 287267461 /nfs/dbraw/zinc/26/74/61/287267461.db2.gz LBLSAAFROLZKNF-IAGOWNOFSA-N 2 1 341.544 1.290 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000074065308 287267463 /nfs/dbraw/zinc/26/74/63/287267463.db2.gz LBLSAAFROLZKNF-IAGOWNOFSA-N 2 1 341.544 1.290 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000074065308 287267464 /nfs/dbraw/zinc/26/74/64/287267464.db2.gz LBLSAAFROLZKNF-IAGOWNOFSA-N 2 1 341.544 1.290 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C[C@H]1C ZINC000168027190 226206401 /nfs/dbraw/zinc/20/64/01/226206401.db2.gz MWXYSIAHXLHFDZ-QGZVFWFLSA-N 2 1 345.487 1.487 20 0 EDADMP COCC[N@H+]1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C[C@H]1C ZINC000168027190 226206405 /nfs/dbraw/zinc/20/64/05/226206405.db2.gz MWXYSIAHXLHFDZ-QGZVFWFLSA-N 2 1 345.487 1.487 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000652124217 452319903 /nfs/dbraw/zinc/31/99/03/452319903.db2.gz TZSZSUQREGGZEE-GASCZTMLSA-N 2 1 326.485 1.175 20 0 EDADMP CCC[C@@]1(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCOC1 ZINC000665762375 452339705 /nfs/dbraw/zinc/33/97/05/452339705.db2.gz BXRMSYUEDNEZGQ-DOTOQJQBSA-N 2 1 328.501 1.517 20 0 EDADMP CCC[C@@]1(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCOC1 ZINC000665762375 452339712 /nfs/dbraw/zinc/33/97/12/452339712.db2.gz BXRMSYUEDNEZGQ-DOTOQJQBSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@](C)(O)CC1 ZINC000665762483 452341374 /nfs/dbraw/zinc/34/13/74/452341374.db2.gz FYWOFCWORUNPIP-RDJZCZTQSA-N 2 1 328.501 1.205 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@](C)(O)CC1 ZINC000665762483 452341384 /nfs/dbraw/zinc/34/13/84/452341384.db2.gz FYWOFCWORUNPIP-RDJZCZTQSA-N 2 1 328.501 1.205 20 0 EDADMP CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000665763681 452350421 /nfs/dbraw/zinc/35/04/21/452350421.db2.gz IWAPEPJOKAETNL-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000665763681 452350427 /nfs/dbraw/zinc/35/04/27/452350427.db2.gz IWAPEPJOKAETNL-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000262021082 273017523 /nfs/dbraw/zinc/01/75/23/273017523.db2.gz GDGDWYXJOPZGQP-INIZCTEOSA-N 2 1 333.476 1.770 20 0 EDADMP CC[C@]1(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]1 ZINC000274611136 268169069 /nfs/dbraw/zinc/16/90/69/268169069.db2.gz NITVASWADGYHOY-YLJYHZDGSA-N 2 1 344.503 1.846 20 0 EDADMP CC[C@@]1(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000274639759 268174216 /nfs/dbraw/zinc/17/42/16/268174216.db2.gz TWQRCEWTTLPZMD-FQEVSTJZSA-N 2 1 344.503 1.582 20 0 EDADMP C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274865515 268226331 /nfs/dbraw/zinc/22/63/31/268226331.db2.gz DSWJTIIUNIWYCU-SJLPKXTDSA-N 2 1 345.487 1.769 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1)c1ccccc1 ZINC000275381659 268333721 /nfs/dbraw/zinc/33/37/21/268333721.db2.gz BEVSPMRLOFRJTA-IRXDYDNUSA-N 2 1 333.476 1.498 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](O)C(C)(C)C1)c1ccccc1 ZINC000275381659 268333723 /nfs/dbraw/zinc/33/37/23/268333723.db2.gz BEVSPMRLOFRJTA-IRXDYDNUSA-N 2 1 333.476 1.498 20 0 EDADMP C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)N(C)Cc1ccccc1 ZINC000275395213 268336544 /nfs/dbraw/zinc/33/65/44/268336544.db2.gz DHQQSHQGKMQNGW-SJORKVTESA-N 2 1 347.503 1.811 20 0 EDADMP C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000275932553 268384689 /nfs/dbraw/zinc/38/46/89/268384689.db2.gz KRDYYNJSFGURLA-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP C[NH+](Cc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000275932553 268384691 /nfs/dbraw/zinc/38/46/91/268384691.db2.gz KRDYYNJSFGURLA-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP C[NH+](Cc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000275932553 268384693 /nfs/dbraw/zinc/38/46/93/268384693.db2.gz KRDYYNJSFGURLA-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP Cc1ccc([C@@H](O)C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000278505727 268673134 /nfs/dbraw/zinc/67/31/34/268673134.db2.gz OVJMLCSLVVTWCJ-SFHVURJKSA-N 2 1 341.459 1.360 20 0 EDADMP COCCC[N@@H+](CCCC1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000647873534 452612365 /nfs/dbraw/zinc/61/23/65/452612365.db2.gz WXGINCLXFGONCA-INIZCTEOSA-N 2 1 332.510 1.292 20 0 EDADMP CC(C)[C@@H](C[NH2+]CCN1C(=O)c2ccccc2C1=O)[NH+]1CCCC1 ZINC000278931251 273273146 /nfs/dbraw/zinc/27/31/46/273273146.db2.gz WJXBFNOIPDITBF-QGZVFWFLSA-N 2 1 329.444 1.993 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000279237428 273287037 /nfs/dbraw/zinc/28/70/37/273287037.db2.gz RCLAOKAEXISRIP-LPHOPBHVSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000279237428 273287038 /nfs/dbraw/zinc/28/70/38/273287038.db2.gz RCLAOKAEXISRIP-LPHOPBHVSA-N 2 1 345.487 1.865 20 0 EDADMP Cn1cc(-c2ccc(C[NH2+]CCC(=O)N3CC[NH+](C)CC3)s2)cn1 ZINC000282171184 273599828 /nfs/dbraw/zinc/59/98/28/273599828.db2.gz FAIMHUJMLUKNND-UHFFFAOYSA-N 2 1 347.488 1.402 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000284229901 274125537 /nfs/dbraw/zinc/12/55/37/274125537.db2.gz FZADUWPQJVMFEM-HNNXBMFYSA-N 2 1 349.479 1.079 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000284229901 274125540 /nfs/dbraw/zinc/12/55/40/274125540.db2.gz FZADUWPQJVMFEM-HNNXBMFYSA-N 2 1 349.479 1.079 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284318719 274159152 /nfs/dbraw/zinc/15/91/52/274159152.db2.gz KQIYBJQAOSTZIU-UHFFFAOYSA-N 2 1 329.448 1.432 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1CC ZINC000284412314 274192937 /nfs/dbraw/zinc/19/29/37/274192937.db2.gz RNAWGNZQDNHTJI-MRXNPFEDSA-N 2 1 330.432 1.907 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1CC ZINC000284412314 274192939 /nfs/dbraw/zinc/19/29/39/274192939.db2.gz RNAWGNZQDNHTJI-MRXNPFEDSA-N 2 1 330.432 1.907 20 0 EDADMP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)(N2CCOCC2)C1 ZINC000248885349 276310008 /nfs/dbraw/zinc/31/00/08/276310008.db2.gz LZKSNUUQOAGRRI-KNXWPPODSA-N 2 1 325.497 1.329 20 0 EDADMP CC[N@@H+](CC(=O)N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000347864366 276310580 /nfs/dbraw/zinc/31/05/80/276310580.db2.gz FNDGWUFBJCRWQE-HNAYVOBHSA-N 2 1 347.507 1.746 20 0 EDADMP CC[NH+](CC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000347864366 276310581 /nfs/dbraw/zinc/31/05/81/276310581.db2.gz FNDGWUFBJCRWQE-HNAYVOBHSA-N 2 1 347.507 1.746 20 0 EDADMP CC[NH+](CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000347864366 276310582 /nfs/dbraw/zinc/31/05/82/276310582.db2.gz FNDGWUFBJCRWQE-HNAYVOBHSA-N 2 1 347.507 1.746 20 0 EDADMP COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000363532383 277062161 /nfs/dbraw/zinc/06/21/61/277062161.db2.gz JFOXNWWHORVVJF-CVEARBPZSA-N 2 1 339.480 1.252 20 0 EDADMP COC(=O)CNC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000363532383 277062163 /nfs/dbraw/zinc/06/21/63/277062163.db2.gz JFOXNWWHORVVJF-CVEARBPZSA-N 2 1 339.480 1.252 20 0 EDADMP COC(=O)CNC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000363532383 277062164 /nfs/dbraw/zinc/06/21/64/277062164.db2.gz JFOXNWWHORVVJF-CVEARBPZSA-N 2 1 339.480 1.252 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC[C@H]21 ZINC000247961298 277069065 /nfs/dbraw/zinc/06/90/65/277069065.db2.gz GGFYLQHTTOFBOP-BZUAXINKSA-N 2 1 329.510 1.074 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC[C@H]21 ZINC000247961298 277069066 /nfs/dbraw/zinc/06/90/66/277069066.db2.gz GGFYLQHTTOFBOP-BZUAXINKSA-N 2 1 329.510 1.074 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC[C@H]21 ZINC000247961298 277069067 /nfs/dbraw/zinc/06/90/67/277069067.db2.gz GGFYLQHTTOFBOP-BZUAXINKSA-N 2 1 329.510 1.074 20 0 EDADMP COCC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354931007 277239127 /nfs/dbraw/zinc/23/91/27/277239127.db2.gz ZRSDTHMBMVXDJK-IHRRRGAJSA-N 2 1 325.432 1.474 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000359541775 277397314 /nfs/dbraw/zinc/39/73/14/277397314.db2.gz LDIPJQRYRTXBFS-INIZCTEOSA-N 2 1 340.512 1.022 20 0 EDADMP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342147719 278049823 /nfs/dbraw/zinc/04/98/23/278049823.db2.gz ZDLBQQPJIWXBDS-LLLHUVSDSA-N 2 1 331.460 1.759 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[NH+](C)CC1 ZINC000372193458 278143064 /nfs/dbraw/zinc/14/30/64/278143064.db2.gz VAXFTKXCGHYODG-JFIYKMOQSA-N 2 1 334.508 1.098 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[NH+](C)CC1 ZINC000372193458 278143065 /nfs/dbraw/zinc/14/30/65/278143065.db2.gz VAXFTKXCGHYODG-JFIYKMOQSA-N 2 1 334.508 1.098 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365258259 279098277 /nfs/dbraw/zinc/09/82/77/279098277.db2.gz NEHZHKLZFJKDGS-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365258259 279098282 /nfs/dbraw/zinc/09/82/82/279098282.db2.gz NEHZHKLZFJKDGS-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420332044 279101370 /nfs/dbraw/zinc/10/13/70/279101370.db2.gz REEYZEYPMSBVEK-JKSUJKDBSA-N 2 1 325.497 1.567 20 0 EDADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420332044 279101372 /nfs/dbraw/zinc/10/13/72/279101372.db2.gz REEYZEYPMSBVEK-JKSUJKDBSA-N 2 1 325.497 1.567 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000349914571 279109585 /nfs/dbraw/zinc/10/95/85/279109585.db2.gz TVMHSEVHKJLVSO-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CC(C)C[C@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000236631644 279160555 /nfs/dbraw/zinc/16/05/55/279160555.db2.gz XCZMVAFCQBUZQV-QZTJIDSGSA-N 2 1 333.476 1.592 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2CC[NH+](C)[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000362291609 279203821 /nfs/dbraw/zinc/20/38/21/279203821.db2.gz WOYWEDPGGYDHSP-HHXXYDBFSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2CC[NH+](C)[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000362291609 279203823 /nfs/dbraw/zinc/20/38/23/279203823.db2.gz WOYWEDPGGYDHSP-HHXXYDBFSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000362291609 279203824 /nfs/dbraw/zinc/20/38/24/279203824.db2.gz WOYWEDPGGYDHSP-HHXXYDBFSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000362291609 279203825 /nfs/dbraw/zinc/20/38/25/279203825.db2.gz WOYWEDPGGYDHSP-HHXXYDBFSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417882730 288117137 /nfs/dbraw/zinc/11/71/37/288117137.db2.gz VJMYCTIJXGUYFG-XOKHGSTOSA-N 2 1 334.508 1.889 20 0 EDADMP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339076618 279314566 /nfs/dbraw/zinc/31/45/66/279314566.db2.gz VMUAIVLHSXYGEG-CEXWTWQISA-N 2 1 343.519 1.809 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2OC(F)F)CC1 ZINC000337438325 279346723 /nfs/dbraw/zinc/34/67/23/279346723.db2.gz XKNDWHGALMYIEE-MJBXVCDLSA-N 2 1 333.423 1.679 20 0 EDADMP CC[N@@H+]1CCO[C@H](CNC(=O)N(C)CC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000356627145 279393594 /nfs/dbraw/zinc/39/35/94/279393594.db2.gz SUFBGJARDCDAQY-MSOLQXFVSA-N 2 1 348.491 1.651 20 0 EDADMP CC[N@H+]1CCO[C@H](CNC(=O)N(C)CC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000356627145 279393595 /nfs/dbraw/zinc/39/35/95/279393595.db2.gz SUFBGJARDCDAQY-MSOLQXFVSA-N 2 1 348.491 1.651 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCOCC1 ZINC000177723365 282042146 /nfs/dbraw/zinc/04/21/46/282042146.db2.gz QWCPBMOPLOPTBN-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+](C)CC1(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CCC1 ZINC000369164445 289096547 /nfs/dbraw/zinc/09/65/47/289096547.db2.gz MAHFDLAEBITSQW-JKSUJKDBSA-N 2 1 338.496 1.413 20 0 EDADMP C[N@@H+](C[C@@H](O)CN1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291732991 289164827 /nfs/dbraw/zinc/16/48/27/289164827.db2.gz JRDGQKPGZIQKRY-UXHICEINSA-N 2 1 332.488 1.759 20 0 EDADMP CN(C[C@@H](O)C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291732991 289164830 /nfs/dbraw/zinc/16/48/30/289164830.db2.gz JRDGQKPGZIQKRY-UXHICEINSA-N 2 1 332.488 1.759 20 0 EDADMP CN(C[C@@H](O)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291732991 289164832 /nfs/dbraw/zinc/16/48/32/289164832.db2.gz JRDGQKPGZIQKRY-UXHICEINSA-N 2 1 332.488 1.759 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000292082281 289256922 /nfs/dbraw/zinc/25/69/22/289256922.db2.gz MGNNQJARXIPIRY-AEFFLSMTSA-N 2 1 332.492 1.609 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292262837 289300654 /nfs/dbraw/zinc/30/06/54/289300654.db2.gz YUEWUZRLAYOXBV-IEBWSBKVSA-N 2 1 347.459 1.412 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292262837 289300657 /nfs/dbraw/zinc/30/06/57/289300657.db2.gz YUEWUZRLAYOXBV-IEBWSBKVSA-N 2 1 347.459 1.412 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292262837 289300661 /nfs/dbraw/zinc/30/06/61/289300661.db2.gz YUEWUZRLAYOXBV-IEBWSBKVSA-N 2 1 347.459 1.412 20 0 EDADMP Cc1ccoc1CN(C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000292390732 289333774 /nfs/dbraw/zinc/33/37/74/289333774.db2.gz SIGBKKRYUFTQLL-MRXNPFEDSA-N 2 1 337.464 1.493 20 0 EDADMP Cc1ccoc1CN(C)CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000292390732 289333776 /nfs/dbraw/zinc/33/37/76/289333776.db2.gz SIGBKKRYUFTQLL-MRXNPFEDSA-N 2 1 337.464 1.493 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)cn2cc[nH+]c12 ZINC000293045837 289507299 /nfs/dbraw/zinc/50/72/99/289507299.db2.gz NSPCCKSKTXJTPC-UHFFFAOYSA-N 2 1 345.447 1.816 20 0 EDADMP C[N@H+]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C2(CCCCC2)C1 ZINC000262885586 290032846 /nfs/dbraw/zinc/03/28/46/290032846.db2.gz WJJVEXXCUFGVRU-MRXNPFEDSA-N 2 1 345.491 1.898 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000348586146 290165946 /nfs/dbraw/zinc/16/59/46/290165946.db2.gz DTFVBXYTKCBVMS-KSZLIROESA-N 2 1 335.492 1.715 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000348586146 290165950 /nfs/dbraw/zinc/16/59/50/290165950.db2.gz DTFVBXYTKCBVMS-KSZLIROESA-N 2 1 335.492 1.715 20 0 EDADMP C[C@H](c1ccc(NC(=O)C2([NH3+])CCOCC2)cc1)[NH+]1CCOCC1 ZINC000261936342 290234764 /nfs/dbraw/zinc/23/47/64/290234764.db2.gz WYDGYPIQOWOHLR-CQSZACIVSA-N 2 1 333.432 1.526 20 0 EDADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237520401 290394106 /nfs/dbraw/zinc/39/41/06/290394106.db2.gz DQDCKFBHKUEFHY-YJBOKZPZSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237520401 290394107 /nfs/dbraw/zinc/39/41/07/290394107.db2.gz DQDCKFBHKUEFHY-YJBOKZPZSA-N 2 1 331.460 1.666 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000420319386 304751447 /nfs/dbraw/zinc/75/14/47/304751447.db2.gz PEXTWZUKVRFCRR-SFHVURJKSA-N 3 1 336.524 1.252 20 0 EDADMP C[NH2+][C@H](C(=O)N1CCC(O)(C[NH3+])CC1)c1cccc(Cl)c1Cl ZINC000662578661 453304958 /nfs/dbraw/zinc/30/49/58/453304958.db2.gz DSNFQFBMPPLMMH-ZDUSSCGKSA-N 2 1 346.258 1.566 20 0 EDADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000295909187 303282168 /nfs/dbraw/zinc/28/21/68/303282168.db2.gz IVDPEZBYYQEGGW-LSDHHAIUSA-N 2 1 334.464 1.856 20 0 EDADMP CC(C)N(C)C(=O)[C@H](C)N1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000295909187 303282170 /nfs/dbraw/zinc/28/21/70/303282170.db2.gz IVDPEZBYYQEGGW-LSDHHAIUSA-N 2 1 334.464 1.856 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000458382307 447338304 /nfs/dbraw/zinc/33/83/04/447338304.db2.gz RAYSWDJFVIMDMQ-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458382307 447338308 /nfs/dbraw/zinc/33/83/08/447338308.db2.gz RAYSWDJFVIMDMQ-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458382307 447338314 /nfs/dbraw/zinc/33/83/14/447338314.db2.gz RAYSWDJFVIMDMQ-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@H](C)[N@H+]1CCO ZINC000456226362 447341384 /nfs/dbraw/zinc/34/13/84/447341384.db2.gz ODWGONKZTNGHLQ-CALCHBBNSA-N 2 1 345.487 1.810 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@H](C)[N@@H+]1CCO ZINC000456226362 447341387 /nfs/dbraw/zinc/34/13/87/447341387.db2.gz ODWGONKZTNGHLQ-CALCHBBNSA-N 2 1 345.487 1.810 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000414889805 447344958 /nfs/dbraw/zinc/34/49/58/447344958.db2.gz UINSODGJPQVPPH-QGZVFWFLSA-N 2 1 346.475 1.533 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000414889805 447344962 /nfs/dbraw/zinc/34/49/62/447344962.db2.gz UINSODGJPQVPPH-QGZVFWFLSA-N 2 1 346.475 1.533 20 0 EDADMP COCCOc1cc2c(cc1C[NH2+]C[C@]1(C)CCC[NH2+]C1)OCO2 ZINC000414895995 447347773 /nfs/dbraw/zinc/34/77/73/447347773.db2.gz AJDORRSHUKPEPP-GOSISDBHSA-N 2 1 336.432 1.920 20 0 EDADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000430599981 305058058 /nfs/dbraw/zinc/05/80/58/305058058.db2.gz RDZBAQLGNFPTJK-UHFFFAOYSA-N 2 1 335.448 1.964 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C1CC[NH2+]CC1 ZINC000430612314 305058895 /nfs/dbraw/zinc/05/88/95/305058895.db2.gz RSMJHWSJTWJMCW-UHFFFAOYSA-N 2 1 338.839 1.451 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000430615821 305059224 /nfs/dbraw/zinc/05/92/24/305059224.db2.gz DGOMCCUZCQMHQO-OAHLLOKOSA-N 2 1 343.431 1.066 20 0 EDADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430650297 305061275 /nfs/dbraw/zinc/06/12/75/305061275.db2.gz URLRONWOZNYXJG-HOTGVXAUSA-N 2 1 346.475 1.417 20 0 EDADMP [NH3+]Cc1nc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)cs1 ZINC000430696394 305062764 /nfs/dbraw/zinc/06/27/64/305062764.db2.gz BUDJRUJUCOOYFA-UHFFFAOYSA-N 2 1 346.456 1.811 20 0 EDADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000430708653 305063043 /nfs/dbraw/zinc/06/30/43/305063043.db2.gz KDQUDLQZYFOXEZ-MSOLQXFVSA-N 2 1 345.487 1.782 20 0 EDADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000430708653 305063044 /nfs/dbraw/zinc/06/30/44/305063044.db2.gz KDQUDLQZYFOXEZ-MSOLQXFVSA-N 2 1 345.487 1.782 20 0 EDADMP COCC[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430842586 305065713 /nfs/dbraw/zinc/06/57/13/305065713.db2.gz USUXCHLLTZCIGO-HKUYNNGSSA-N 2 1 331.460 1.393 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000430850292 305066089 /nfs/dbraw/zinc/06/60/89/305066089.db2.gz KADRZUUZAHPMDO-IKGGRYGDSA-N 2 1 325.497 1.757 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430923524 305068253 /nfs/dbraw/zinc/06/82/53/305068253.db2.gz FSVAJOZBLCHVQE-BFHYXJOUSA-N 2 1 335.448 1.550 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430923524 305068254 /nfs/dbraw/zinc/06/82/54/305068254.db2.gz FSVAJOZBLCHVQE-BFHYXJOUSA-N 2 1 335.448 1.550 20 0 EDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000430950761 305070433 /nfs/dbraw/zinc/07/04/33/305070433.db2.gz SESHXVONEYGKJA-NSHDSACASA-N 2 1 338.839 1.309 20 0 EDADMP CCNC(=O)c1cccc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430965335 305071541 /nfs/dbraw/zinc/07/15/41/305071541.db2.gz KWECHTVQKALKDK-CYBMUJFWSA-N 2 1 332.448 1.434 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431073225 305074215 /nfs/dbraw/zinc/07/42/15/305074215.db2.gz WPQLMKZTMOTYPP-UHFFFAOYSA-N 2 1 329.448 1.890 20 0 EDADMP CCC[N@H+](CC(=O)NCc1ccc(COC)cc1)C1CC[NH2+]CC1 ZINC000431081093 305074481 /nfs/dbraw/zinc/07/44/81/305074481.db2.gz OJERDOGAKHGCNT-UHFFFAOYSA-N 2 1 333.476 1.913 20 0 EDADMP CCC[N@@H+](CC(=O)NCc1ccc(COC)cc1)C1CC[NH2+]CC1 ZINC000431081093 305074482 /nfs/dbraw/zinc/07/44/82/305074482.db2.gz OJERDOGAKHGCNT-UHFFFAOYSA-N 2 1 333.476 1.913 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000433287125 305104871 /nfs/dbraw/zinc/10/48/71/305104871.db2.gz KWTGDDOZQINOAY-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000433287125 305104872 /nfs/dbraw/zinc/10/48/72/305104872.db2.gz KWTGDDOZQINOAY-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000433287125 305104873 /nfs/dbraw/zinc/10/48/73/305104873.db2.gz KWTGDDOZQINOAY-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000433360621 305106652 /nfs/dbraw/zinc/10/66/52/305106652.db2.gz KVPJCKINUOFWQK-KRWDZBQOSA-N 2 1 337.508 1.699 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000433360621 305106653 /nfs/dbraw/zinc/10/66/53/305106653.db2.gz KVPJCKINUOFWQK-KRWDZBQOSA-N 2 1 337.508 1.699 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435235358 305137527 /nfs/dbraw/zinc/13/75/27/305137527.db2.gz DJGOIROOCQPGBU-MOPGFXCFSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435235358 305137528 /nfs/dbraw/zinc/13/75/28/305137528.db2.gz DJGOIROOCQPGBU-MOPGFXCFSA-N 2 1 343.471 1.630 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)CC[C@@H]1[NH3+] ZINC000435377162 305139267 /nfs/dbraw/zinc/13/92/67/305139267.db2.gz YRHOYWRGHDOVPH-PBHICJAKSA-N 2 1 331.460 1.761 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)CC[C@@H]1[NH3+] ZINC000435377162 305139268 /nfs/dbraw/zinc/13/92/68/305139268.db2.gz YRHOYWRGHDOVPH-PBHICJAKSA-N 2 1 331.460 1.761 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OCC(=O)N3CCCC3)C[C@H]12 ZINC000435385759 305139444 /nfs/dbraw/zinc/13/94/44/305139444.db2.gz UAHJQTQBGJSPMJ-RYQLBKOJSA-N 2 1 343.471 1.857 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000442877393 305230375 /nfs/dbraw/zinc/23/03/75/305230375.db2.gz UAOHFWYBNTYEHA-BXUZGUMPSA-N 2 1 347.431 1.173 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000444377671 305247683 /nfs/dbraw/zinc/24/76/83/305247683.db2.gz XKFDGHQFLQSDCT-OAHLLOKOSA-N 2 1 333.476 1.665 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CCC1 ZINC000446619503 305268094 /nfs/dbraw/zinc/26/80/94/305268094.db2.gz GODRGUJDJMZLCY-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCC2)CC[N@H+]1CCOC ZINC000446619733 305268133 /nfs/dbraw/zinc/26/81/33/305268133.db2.gz IWQDSGAMUNGYDG-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448212354 305293944 /nfs/dbraw/zinc/29/39/44/305293944.db2.gz HTEYGDFXFOLBFC-RKVPGOIHSA-N 2 1 332.492 1.881 20 0 EDADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448212354 305293945 /nfs/dbraw/zinc/29/39/45/305293945.db2.gz HTEYGDFXFOLBFC-RKVPGOIHSA-N 2 1 332.492 1.881 20 0 EDADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448212354 305293946 /nfs/dbraw/zinc/29/39/46/305293946.db2.gz HTEYGDFXFOLBFC-RKVPGOIHSA-N 2 1 332.492 1.881 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000448214898 305293953 /nfs/dbraw/zinc/29/39/53/305293953.db2.gz SJOQDGMZIRPZSE-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000448214898 305293954 /nfs/dbraw/zinc/29/39/54/305293954.db2.gz SJOQDGMZIRPZSE-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000448214898 305293955 /nfs/dbraw/zinc/29/39/55/305293955.db2.gz SJOQDGMZIRPZSE-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP COC(=O)COC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000449095960 305306445 /nfs/dbraw/zinc/30/64/45/305306445.db2.gz CXYRNZLYEVASPF-LBPRGKRZSA-N 2 1 335.379 1.988 20 0 EDADMP COc1cc(F)cc(CNCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000449114495 305307065 /nfs/dbraw/zinc/30/70/65/305307065.db2.gz ZNYKFRMIOJWRQE-KRWDZBQOSA-N 2 1 337.439 1.867 20 0 EDADMP COc1cc(F)cc(CNCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000449114495 305307066 /nfs/dbraw/zinc/30/70/66/305307066.db2.gz ZNYKFRMIOJWRQE-KRWDZBQOSA-N 2 1 337.439 1.867 20 0 EDADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000449119873 305307169 /nfs/dbraw/zinc/30/71/69/305307169.db2.gz AOZREYOODTZCOS-SJORKVTESA-N 2 1 338.540 1.639 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449116958 305307250 /nfs/dbraw/zinc/30/72/50/305307250.db2.gz RYKZFKZNJPBNCP-OWCLPIDISA-N 2 1 325.497 1.722 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449329032 305311594 /nfs/dbraw/zinc/31/15/94/305311594.db2.gz HDRNNJWTHJDHNZ-DNVCBOLYSA-N 2 1 326.444 1.875 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H]4C[C@@H](O)CC[C@@H]4C3)cn2)CC1 ZINC000449550661 305313450 /nfs/dbraw/zinc/31/34/50/305313450.db2.gz DQKNHTONUNHXRY-KURKYZTESA-N 2 1 345.491 1.211 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H]4C[C@@H](O)CC[C@@H]4C3)cn2)CC1 ZINC000449550661 305313451 /nfs/dbraw/zinc/31/34/51/305313451.db2.gz DQKNHTONUNHXRY-KURKYZTESA-N 2 1 345.491 1.211 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000449560071 305313582 /nfs/dbraw/zinc/31/35/82/305313582.db2.gz FRJVXXOEKWAMTL-MQVJKMGUSA-N 2 1 334.464 1.778 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000449560071 305313583 /nfs/dbraw/zinc/31/35/83/305313583.db2.gz FRJVXXOEKWAMTL-MQVJKMGUSA-N 2 1 334.464 1.778 20 0 EDADMP [NH3+]CC[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(F)(F)F ZINC000449732005 305318254 /nfs/dbraw/zinc/31/82/54/305318254.db2.gz YIDDZRORAHKWIV-KGLIPLIRSA-N 2 1 345.365 1.283 20 0 EDADMP [NH3+]CC[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(F)(F)F ZINC000449732005 305318255 /nfs/dbraw/zinc/31/82/55/305318255.db2.gz YIDDZRORAHKWIV-KGLIPLIRSA-N 2 1 345.365 1.283 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000451410119 305344407 /nfs/dbraw/zinc/34/44/07/305344407.db2.gz BKSZIPHUPFVJDP-KSZLIROESA-N 2 1 337.508 1.601 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CCC[N@H+]1CCCO)C(C)(C)C ZINC000458422233 447358431 /nfs/dbraw/zinc/35/84/31/447358431.db2.gz UBVXYQIGVHLXTJ-CVEARBPZSA-N 2 1 342.528 1.499 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(O)cc2)CC1 ZINC000532394402 305982720 /nfs/dbraw/zinc/98/27/20/305982720.db2.gz BLAIYJWTDWAWDG-UHFFFAOYSA-N 2 1 326.400 1.720 20 0 EDADMP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C(C)(C)C1 ZINC000536589391 306023296 /nfs/dbraw/zinc/02/32/96/306023296.db2.gz BCZPUSNYXYQKMA-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C(C)(C)C1 ZINC000536589391 306023297 /nfs/dbraw/zinc/02/32/97/306023297.db2.gz BCZPUSNYXYQKMA-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C(C)(C)C1 ZINC000536589391 306023298 /nfs/dbraw/zinc/02/32/98/306023298.db2.gz BCZPUSNYXYQKMA-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000541896826 306049371 /nfs/dbraw/zinc/04/93/71/306049371.db2.gz HWANZTRJWSHBIW-OXQOHEQNSA-N 2 1 343.471 1.390 20 0 EDADMP C[C@@H](NC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000541896826 306049372 /nfs/dbraw/zinc/04/93/72/306049372.db2.gz HWANZTRJWSHBIW-OXQOHEQNSA-N 2 1 343.471 1.390 20 0 EDADMP C[C@@H](NC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000541896826 306049373 /nfs/dbraw/zinc/04/93/73/306049373.db2.gz HWANZTRJWSHBIW-OXQOHEQNSA-N 2 1 343.471 1.390 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@H]1CCCO1 ZINC000544894577 306079631 /nfs/dbraw/zinc/07/96/31/306079631.db2.gz QXQNJKZCYMFVSM-QXAKKESOSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@H]1CCCO1 ZINC000544894577 306079632 /nfs/dbraw/zinc/07/96/32/306079632.db2.gz QXQNJKZCYMFVSM-QXAKKESOSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@H]1CCCO1 ZINC000544894577 306079633 /nfs/dbraw/zinc/07/96/33/306079633.db2.gz QXQNJKZCYMFVSM-QXAKKESOSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@H]1CCCO1 ZINC000544894577 306079634 /nfs/dbraw/zinc/07/96/34/306079634.db2.gz QXQNJKZCYMFVSM-QXAKKESOSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000557214053 306226539 /nfs/dbraw/zinc/22/65/39/306226539.db2.gz QLSRBKMKBGDDQX-UHFFFAOYSA-N 2 1 327.517 1.090 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000414946919 447369559 /nfs/dbraw/zinc/36/95/59/447369559.db2.gz UYWBDIUZWKOOQV-CJNGLKHVSA-N 2 1 344.459 1.476 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000414958865 447373765 /nfs/dbraw/zinc/37/37/65/447373765.db2.gz DSLODEKOHGIVMM-QRTARXTBSA-N 2 1 344.459 1.588 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000422146292 447372464 /nfs/dbraw/zinc/37/24/64/447372464.db2.gz URGJHHPETRRKKW-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422146292 447372465 /nfs/dbraw/zinc/37/24/65/447372465.db2.gz URGJHHPETRRKKW-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000422146292 447372467 /nfs/dbraw/zinc/37/24/67/447372467.db2.gz URGJHHPETRRKKW-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000414967605 447377031 /nfs/dbraw/zinc/37/70/31/447377031.db2.gz QFENJIXXDLHGKX-NVXWUHKLSA-N 2 1 344.459 1.287 20 0 EDADMP [NH3+]C[C@H](NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CC1 ZINC000414960453 447375625 /nfs/dbraw/zinc/37/56/25/447375625.db2.gz GURZQWLSSSCLLD-KRWDZBQOSA-N 2 1 332.448 1.420 20 0 EDADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414975512 447381688 /nfs/dbraw/zinc/38/16/88/447381688.db2.gz LWPKGGUDXJFVKD-WFASDCNBSA-N 2 1 326.282 1.873 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000449708048 447388470 /nfs/dbraw/zinc/38/84/70/447388470.db2.gz FQWMLNQZROPWCS-SJORKVTESA-N 2 1 335.423 1.285 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000449708048 447388475 /nfs/dbraw/zinc/38/84/75/447388475.db2.gz FQWMLNQZROPWCS-SJORKVTESA-N 2 1 335.423 1.285 20 0 EDADMP CC[C@@H]1CN(C(=O)NC2CC[NH+](CC)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000426221110 447399876 /nfs/dbraw/zinc/39/98/76/447399876.db2.gz WZZMYBPSKFIALP-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000458527078 447400128 /nfs/dbraw/zinc/40/01/28/447400128.db2.gz SKNWXIXALOZWGQ-QLFBSQMISA-N 2 1 328.501 1.059 20 0 EDADMP CC(C)[C@@H](C(=O)NCC1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000101522267 441156804 /nfs/dbraw/zinc/15/68/04/441156804.db2.gz ALAPCCADHQNIDZ-INMHGKMJSA-N 2 1 325.497 1.578 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CCCC1 ZINC000047965962 441244428 /nfs/dbraw/zinc/24/44/28/441244428.db2.gz UUZKKUJJXSGCDG-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CCCC1 ZINC000047965962 441244434 /nfs/dbraw/zinc/24/44/34/441244434.db2.gz UUZKKUJJXSGCDG-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CCCC1 ZINC000047965962 441244439 /nfs/dbraw/zinc/24/44/39/441244439.db2.gz UUZKKUJJXSGCDG-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000073930629 441369798 /nfs/dbraw/zinc/36/97/98/441369798.db2.gz QPHZLZBHNPTCBP-PKOBYXMFSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000073930629 441369801 /nfs/dbraw/zinc/36/98/01/441369801.db2.gz QPHZLZBHNPTCBP-PKOBYXMFSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000073930629 441369806 /nfs/dbraw/zinc/36/98/06/441369806.db2.gz QPHZLZBHNPTCBP-PKOBYXMFSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000073930629 441369810 /nfs/dbraw/zinc/36/98/10/441369810.db2.gz QPHZLZBHNPTCBP-PKOBYXMFSA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000074221542 441409955 /nfs/dbraw/zinc/40/99/55/441409955.db2.gz POKUPMNGELFPTL-UHFFFAOYSA-N 2 1 348.491 1.967 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3[C@H](C)CCC[C@@H]3C)C2)CC1 ZINC000107368573 441413360 /nfs/dbraw/zinc/41/33/60/441413360.db2.gz RSAABAJTHLMFQD-KSZLIROESA-N 2 1 336.524 1.488 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000074676323 441455990 /nfs/dbraw/zinc/45/59/90/441455990.db2.gz JLRRRANPBJFCMQ-UHFFFAOYSA-N 2 1 346.519 1.846 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000074676323 441455994 /nfs/dbraw/zinc/45/59/94/441455994.db2.gz JLRRRANPBJFCMQ-UHFFFAOYSA-N 2 1 346.519 1.846 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000108540976 441461304 /nfs/dbraw/zinc/46/13/04/441461304.db2.gz AKMLAJOKFWKIIR-RDJZCZTQSA-N 2 1 348.491 1.939 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000108540976 441461308 /nfs/dbraw/zinc/46/13/08/441461308.db2.gz AKMLAJOKFWKIIR-RDJZCZTQSA-N 2 1 348.491 1.939 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2F)CC1 ZINC000066897784 441580404 /nfs/dbraw/zinc/58/04/04/441580404.db2.gz OCJABORJANTOHA-UHFFFAOYSA-N 2 1 348.466 1.792 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000090582416 441636839 /nfs/dbraw/zinc/63/68/39/441636839.db2.gz SPKCGVHEKPPAIU-SCRDCRAPSA-N 2 1 345.534 1.653 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115677123 441768719 /nfs/dbraw/zinc/76/87/19/441768719.db2.gz CPDZLORZQLQWEW-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)c1 ZINC000137122470 441748910 /nfs/dbraw/zinc/74/89/10/441748910.db2.gz UTLDJFPKPLHIPE-KRWDZBQOSA-N 2 1 345.491 1.954 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000068190788 441750379 /nfs/dbraw/zinc/75/03/79/441750379.db2.gz ZKLZLWAQPMOGRL-SFHVURJKSA-N 2 1 332.492 1.432 20 0 EDADMP C[NH+](C)CCN(C(=O)NCCC[NH+]1CCOCC1)C1CCCC1 ZINC000158815189 441764962 /nfs/dbraw/zinc/76/49/62/441764962.db2.gz YHGHQXBSXXZXDF-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP C[C@H]1C[NH+](Cc2ccc(C(=O)N3CC([NH+](C)C)C3)cc2)C[C@H](C)O1 ZINC000158318654 441723779 /nfs/dbraw/zinc/72/37/79/441723779.db2.gz UHKYMIVPMWKVTB-GJZGRUSLSA-N 2 1 331.460 1.682 20 0 EDADMP O=C(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N1CCOCC1 ZINC000159227633 441796019 /nfs/dbraw/zinc/79/60/19/441796019.db2.gz SCLQOVLIXAZABM-UHFFFAOYSA-N 2 1 345.487 1.532 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+](C)C ZINC000116245580 441804994 /nfs/dbraw/zinc/80/49/94/441804994.db2.gz RNVRAGBOGCGQHA-RYQLBKOJSA-N 2 1 332.492 1.994 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116438625 441822458 /nfs/dbraw/zinc/82/24/58/441822458.db2.gz OCERXLFZJVYPCR-HOTGVXAUSA-N 2 1 341.544 1.288 20 0 EDADMP C[C@@H](C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000122086054 441834371 /nfs/dbraw/zinc/83/43/71/441834371.db2.gz VULUVTLVRHSPLI-NNXHMXCWSA-N 2 1 325.497 1.863 20 0 EDADMP C[C@@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000122086054 441834374 /nfs/dbraw/zinc/83/43/74/441834374.db2.gz VULUVTLVRHSPLI-NNXHMXCWSA-N 2 1 325.497 1.863 20 0 EDADMP C[C@@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000122086054 441834377 /nfs/dbraw/zinc/83/43/77/441834377.db2.gz VULUVTLVRHSPLI-NNXHMXCWSA-N 2 1 325.497 1.863 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000174129625 441891627 /nfs/dbraw/zinc/89/16/27/441891627.db2.gz IFUFMJINTFEUME-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000174129625 441891633 /nfs/dbraw/zinc/89/16/33/441891633.db2.gz IFUFMJINTFEUME-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000093899450 441899330 /nfs/dbraw/zinc/89/93/30/441899330.db2.gz AWGRNSSDDYHYFA-INIZCTEOSA-N 2 1 332.492 1.642 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@](C)(O)C1 ZINC000124459914 441928737 /nfs/dbraw/zinc/92/87/37/441928737.db2.gz QZGIRONEBFKKCO-XKGZKEIXSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@](C)(O)C1 ZINC000124459914 441928742 /nfs/dbraw/zinc/92/87/42/441928742.db2.gz QZGIRONEBFKKCO-XKGZKEIXSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@](C)(O)C1 ZINC000124459914 441928746 /nfs/dbraw/zinc/92/87/46/441928746.db2.gz QZGIRONEBFKKCO-XKGZKEIXSA-N 2 1 345.487 1.612 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000174553354 441938077 /nfs/dbraw/zinc/93/80/77/441938077.db2.gz OYFXZNSQQKBGRG-ROUUACIJSA-N 2 1 331.460 1.660 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000174553354 441938083 /nfs/dbraw/zinc/93/80/83/441938083.db2.gz OYFXZNSQQKBGRG-ROUUACIJSA-N 2 1 331.460 1.660 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@@H]1C ZINC000161672869 442022546 /nfs/dbraw/zinc/02/25/46/442022546.db2.gz KCEHPMXVHRNVRZ-RCCFBDPRSA-N 2 1 339.524 1.972 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000079874941 442092954 /nfs/dbraw/zinc/09/29/54/442092954.db2.gz ZOOHCGCMECFVPU-IBGZPJMESA-N 2 1 342.487 1.998 20 0 EDADMP CC(C)CCOCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000120821404 442137949 /nfs/dbraw/zinc/13/79/49/442137949.db2.gz GOQDWMKDIMCITE-UHFFFAOYSA-N 2 1 339.524 1.925 20 0 EDADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458670216 447447249 /nfs/dbraw/zinc/44/72/49/447447249.db2.gz XDALCIFPBQIFTE-IAGOWNOFSA-N 2 1 340.512 1.397 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@H]1CCCN(c2ccccn2)C1)C1CC1 ZINC000127227186 442183267 /nfs/dbraw/zinc/18/32/67/442183267.db2.gz MWKYJBCCAQOCQY-HNNXBMFYSA-N 2 1 331.464 1.834 20 0 EDADMP COCCC[N@@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000127291283 442190012 /nfs/dbraw/zinc/19/00/12/442190012.db2.gz DXYGQLCRQUQOJR-AEFFLSMTSA-N 2 1 333.476 1.734 20 0 EDADMP COCCC[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000127291283 442190013 /nfs/dbraw/zinc/19/00/13/442190013.db2.gz DXYGQLCRQUQOJR-AEFFLSMTSA-N 2 1 333.476 1.734 20 0 EDADMP COCCC[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000127291283 442190014 /nfs/dbraw/zinc/19/00/14/442190014.db2.gz DXYGQLCRQUQOJR-AEFFLSMTSA-N 2 1 333.476 1.734 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000165836795 442212013 /nfs/dbraw/zinc/21/20/13/442212013.db2.gz VJMHYTFCPOSLLE-HNNXBMFYSA-N 2 1 330.432 1.012 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000177095965 442296114 /nfs/dbraw/zinc/29/61/14/442296114.db2.gz KYWXOMFULVNNPN-QGZVFWFLSA-N 2 1 325.497 1.820 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000154740083 442354186 /nfs/dbraw/zinc/35/41/86/442354186.db2.gz FANLOZVGYRJNQD-QGZVFWFLSA-N 3 1 341.544 1.242 20 0 EDADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000154389121 442336810 /nfs/dbraw/zinc/33/68/10/442336810.db2.gz CJJYLMARUBWZGI-AWEZNQCLSA-N 2 1 343.874 1.956 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000177164663 442308073 /nfs/dbraw/zinc/30/80/73/442308073.db2.gz CXWWOVQLYCLUHR-NSHDSACASA-N 2 1 338.374 1.038 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000177164663 442308075 /nfs/dbraw/zinc/30/80/75/442308075.db2.gz CXWWOVQLYCLUHR-NSHDSACASA-N 2 1 338.374 1.038 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000171122174 442316163 /nfs/dbraw/zinc/31/61/63/442316163.db2.gz MRXZNFIQAXRLFX-GOSISDBHSA-N 2 1 333.476 1.906 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000171792415 442381512 /nfs/dbraw/zinc/38/15/12/442381512.db2.gz JWPVIYZWZJGPFN-UHFFFAOYSA-N 2 1 345.491 1.247 20 0 EDADMP CCCc1nc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cs1 ZINC000172159208 442416907 /nfs/dbraw/zinc/41/69/07/442416907.db2.gz LQLRJCBQBFNZNV-UHFFFAOYSA-N 2 1 338.521 1.985 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000156333257 442468875 /nfs/dbraw/zinc/46/88/75/442468875.db2.gz YZXXFPFNPRFNAG-HNNXBMFYSA-N 2 1 341.496 1.822 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000178984534 442544904 /nfs/dbraw/zinc/54/49/04/442544904.db2.gz WSXCNFJTMAGUPE-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000178984534 442544908 /nfs/dbraw/zinc/54/49/08/442544908.db2.gz WSXCNFJTMAGUPE-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000172721871 442526503 /nfs/dbraw/zinc/52/65/03/442526503.db2.gz SEHGLZCQYXDTBE-MRXNPFEDSA-N 2 1 337.489 1.407 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000172721871 442526505 /nfs/dbraw/zinc/52/65/05/442526505.db2.gz SEHGLZCQYXDTBE-MRXNPFEDSA-N 2 1 337.489 1.407 20 0 EDADMP C[C@@H](O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000186832348 442618897 /nfs/dbraw/zinc/61/88/97/442618897.db2.gz HJDHXBIWCYEETG-SJLPKXTDSA-N 2 1 331.460 1.176 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000187897583 442697031 /nfs/dbraw/zinc/69/70/31/442697031.db2.gz YYNRCEZXEWXLRV-DLBZAZTESA-N 2 1 335.423 1.237 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000187897583 442697034 /nfs/dbraw/zinc/69/70/34/442697034.db2.gz YYNRCEZXEWXLRV-DLBZAZTESA-N 2 1 335.423 1.237 20 0 EDADMP C[C@@H](CN1CCOCC1)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000193587802 442756914 /nfs/dbraw/zinc/75/69/14/442756914.db2.gz FJHVUYZKEOPKDN-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP CC[N@@H+](CC(=O)N(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000188120750 442714007 /nfs/dbraw/zinc/71/40/07/442714007.db2.gz JJSXMUMZIOWPFW-HXUWFJFHSA-N 2 1 345.487 1.566 20 0 EDADMP CC[NH+](CC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000188120750 442714009 /nfs/dbraw/zinc/71/40/09/442714009.db2.gz JJSXMUMZIOWPFW-HXUWFJFHSA-N 2 1 345.487 1.566 20 0 EDADMP CC[NH+](CC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000188120750 442714012 /nfs/dbraw/zinc/71/40/12/442714012.db2.gz JJSXMUMZIOWPFW-HXUWFJFHSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)C[C@H](C)O1 ZINC000188713317 442795746 /nfs/dbraw/zinc/79/57/46/442795746.db2.gz TTWFMFLFHJWQQD-IHETXDGRSA-N 2 1 349.450 1.612 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000246433189 442781107 /nfs/dbraw/zinc/78/11/07/442781107.db2.gz TVLGQQAEKFTYDF-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP C[NH+]1CCC[C@@H]2CN(CCN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000246931091 442822202 /nfs/dbraw/zinc/82/22/02/442822202.db2.gz NGNGBRYVSBWSEJ-IYWMVGAKSA-N 2 1 334.552 1.819 20 0 EDADMP C[NH+]1CCC[C@H]2CN(CCN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000246931091 442822203 /nfs/dbraw/zinc/82/22/03/442822203.db2.gz NGNGBRYVSBWSEJ-IYWMVGAKSA-N 2 1 334.552 1.819 20 0 EDADMP C[NH+]1CCC[C@H]2CN(CCN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000246931091 442822208 /nfs/dbraw/zinc/82/22/08/442822208.db2.gz NGNGBRYVSBWSEJ-IYWMVGAKSA-N 2 1 334.552 1.819 20 0 EDADMP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000268080591 442839276 /nfs/dbraw/zinc/83/92/76/442839276.db2.gz DBFVHWTXPNXMMO-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000268080591 442839279 /nfs/dbraw/zinc/83/92/79/442839279.db2.gz DBFVHWTXPNXMMO-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247213001 442842271 /nfs/dbraw/zinc/84/22/71/442842271.db2.gz RWDDCVGEWFOXEG-TWMKSMIVSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247213001 442842273 /nfs/dbraw/zinc/84/22/73/442842273.db2.gz RWDDCVGEWFOXEG-TWMKSMIVSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247213001 442842278 /nfs/dbraw/zinc/84/22/78/442842278.db2.gz RWDDCVGEWFOXEG-TWMKSMIVSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247213001 442842280 /nfs/dbraw/zinc/84/22/80/442842280.db2.gz RWDDCVGEWFOXEG-TWMKSMIVSA-N 2 1 325.497 1.578 20 0 EDADMP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000268090419 442843316 /nfs/dbraw/zinc/84/33/16/442843316.db2.gz FYHDETDHMRTIDM-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000268090419 442843319 /nfs/dbraw/zinc/84/33/19/442843319.db2.gz FYHDETDHMRTIDM-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000268139988 442865426 /nfs/dbraw/zinc/86/54/26/442865426.db2.gz QSGHNYVZHPCUFP-AYBZRNKSSA-N 2 1 344.503 1.941 20 0 EDADMP C[C@H](C1CC1)N(C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)C1CC1 ZINC000182950484 442853333 /nfs/dbraw/zinc/85/33/33/442853333.db2.gz DOUUXQKHEXVGMV-MRXNPFEDSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@H]1CN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C[C@H]1[NH+](C)C ZINC000268220847 442905625 /nfs/dbraw/zinc/90/56/25/442905625.db2.gz OPCMLOQAGVWUAB-WMLDXEAASA-N 2 1 336.455 1.849 20 0 EDADMP CO[C@H]1C[NH+](CCOCC[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000189256296 442906407 /nfs/dbraw/zinc/90/64/07/442906407.db2.gz LIPJKSTUGNDPAD-XLAORIBOSA-N 2 1 328.497 1.717 20 0 EDADMP CO[C@H]1C[N@H+](CCOCC[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000189256296 442906412 /nfs/dbraw/zinc/90/64/12/442906412.db2.gz LIPJKSTUGNDPAD-XLAORIBOSA-N 2 1 328.497 1.717 20 0 EDADMP CO[C@H]1C[N@@H+](CCOCC[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000189256296 442906417 /nfs/dbraw/zinc/90/64/17/442906417.db2.gz LIPJKSTUGNDPAD-XLAORIBOSA-N 2 1 328.497 1.717 20 0 EDADMP CC[N@H+]1CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000265789923 442922183 /nfs/dbraw/zinc/92/21/83/442922183.db2.gz IHIUPLSURXKCEG-UHFFFAOYSA-N 2 1 344.503 1.602 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000194737858 442945522 /nfs/dbraw/zinc/94/55/22/442945522.db2.gz PYUULDMQMLNMKM-IEBWSBKVSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000194737858 442945525 /nfs/dbraw/zinc/94/55/25/442945525.db2.gz PYUULDMQMLNMKM-IEBWSBKVSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@H]1COC[C@H](C)N1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265889949 442959040 /nfs/dbraw/zinc/95/90/40/442959040.db2.gz RARGVONAQAOYDV-IRXDYDNUSA-N 2 1 331.460 1.440 20 0 EDADMP CN(C(=O)NC[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268499039 443010961 /nfs/dbraw/zinc/01/09/61/443010961.db2.gz HKMSQIYQSIOHFC-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C(=O)NC[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268499039 443010964 /nfs/dbraw/zinc/01/09/64/443010964.db2.gz HKMSQIYQSIOHFC-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C(=O)NC[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268499039 443010967 /nfs/dbraw/zinc/01/09/67/443010967.db2.gz HKMSQIYQSIOHFC-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NCC(=O)N1CCOCC1 ZINC000184742591 443070287 /nfs/dbraw/zinc/07/02/87/443070287.db2.gz DSHYEVROWIAEON-XEWABKELSA-N 2 1 345.487 1.591 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N1CCOCC1 ZINC000184742591 443070297 /nfs/dbraw/zinc/07/02/97/443070297.db2.gz DSHYEVROWIAEON-XEWABKELSA-N 2 1 345.487 1.591 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000268814336 443116797 /nfs/dbraw/zinc/11/67/97/443116797.db2.gz JUCIXKVJXKZEGC-DVOMOZLQSA-N 2 1 325.478 1.876 20 0 EDADMP COCC[NH2+]CC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000237200542 443163228 /nfs/dbraw/zinc/16/32/28/443163228.db2.gz VOTNVUSNKHSAGB-HZPDHXFCSA-N 2 1 349.475 1.148 20 0 EDADMP COC(=O)[C@]1(C)CC[N@@H+](CC[C@H](C)[NH+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000245704182 443245768 /nfs/dbraw/zinc/24/57/68/443245768.db2.gz WQLCBOSFAFBAPO-QGTPRVQTSA-N 2 1 340.464 1.535 20 0 EDADMP COC(=O)[C@]1(C)CC[NH+](CC[C@H](C)[N@@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000245704182 443245772 /nfs/dbraw/zinc/24/57/72/443245772.db2.gz WQLCBOSFAFBAPO-QGTPRVQTSA-N 2 1 340.464 1.535 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CN2CCOCC2)C1 ZINC000266798420 443245880 /nfs/dbraw/zinc/24/58/80/443245880.db2.gz CMSMGARXTFUPQR-INIZCTEOSA-N 2 1 331.460 1.590 20 0 EDADMP C[C@H](c1ccc(NC(=O)C[C@H]2C[NH2+]CCO2)cc1)[NH+]1CCOCC1 ZINC000269239010 443246051 /nfs/dbraw/zinc/24/60/51/443246051.db2.gz ACSFRWZBBVWRPV-PBHICJAKSA-N 2 1 333.432 1.397 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccccc1Cl ZINC000269245516 443248869 /nfs/dbraw/zinc/24/88/69/443248869.db2.gz ULUSZPHNDFPFQE-XJKSGUPXSA-N 2 1 339.867 1.828 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000355475948 319109475 /nfs/dbraw/zinc/10/94/75/319109475.db2.gz QHQSJORZNQJTCS-INIZCTEOSA-N 2 1 348.491 1.863 20 0 EDADMP COc1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)cc1Br ZINC000397094333 319133733 /nfs/dbraw/zinc/13/37/33/319133733.db2.gz YYVPQNNFEQEBFD-UHFFFAOYSA-N 2 1 329.238 1.743 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[NH2+]C[C@H]2CCCO2)C[N@H+]1Cc1ccccc1 ZINC000269254250 443252088 /nfs/dbraw/zinc/25/20/88/443252088.db2.gz IXLUORWZXPDMJX-KBAYOESNSA-N 2 1 331.460 1.534 20 0 EDADMP C[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000264158089 443254038 /nfs/dbraw/zinc/25/40/38/443254038.db2.gz AVTXENFHSWVXIN-CRAIPNDOSA-N 2 1 331.460 1.252 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000264158089 443254041 /nfs/dbraw/zinc/25/40/41/443254041.db2.gz AVTXENFHSWVXIN-CRAIPNDOSA-N 2 1 331.460 1.252 20 0 EDADMP COc1ccccc1C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414670684 319338926 /nfs/dbraw/zinc/33/89/26/319338926.db2.gz DREUVRJBPGLWTP-OAHLLOKOSA-N 2 1 331.460 1.857 20 0 EDADMP COc1cccc([C@@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCO2)c1 ZINC000414690632 319342689 /nfs/dbraw/zinc/34/26/89/319342689.db2.gz HWYASAGPAJBNQJ-YJBOKZPZSA-N 2 1 347.459 1.266 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415236385 319355355 /nfs/dbraw/zinc/35/53/55/319355355.db2.gz FLGVBGZHWRXMDP-CQSZACIVSA-N 2 1 334.464 1.581 20 0 EDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c2C1 ZINC000415336271 319361085 /nfs/dbraw/zinc/36/10/85/319361085.db2.gz VJVUXUCKMKSIJI-DZGCQCFKSA-N 2 1 344.459 1.463 20 0 EDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2C1 ZINC000415336285 319361201 /nfs/dbraw/zinc/36/12/01/319361201.db2.gz VJVUXUCKMKSIJI-ZFWWWQNUSA-N 2 1 344.459 1.463 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000415974843 319386641 /nfs/dbraw/zinc/38/66/41/319386641.db2.gz RPYHKVZPOMSYIN-OAHLLOKOSA-N 2 1 333.480 1.411 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@H]1C ZINC000415972081 319386936 /nfs/dbraw/zinc/38/69/36/319386936.db2.gz LRBNUDRUUYXCMO-OAHLLOKOSA-N 2 1 334.464 1.981 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@H]1C ZINC000415972081 319386938 /nfs/dbraw/zinc/38/69/38/319386938.db2.gz LRBNUDRUUYXCMO-OAHLLOKOSA-N 2 1 334.464 1.981 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000246257962 443283726 /nfs/dbraw/zinc/28/37/26/443283726.db2.gz TZYWJCZGZOBXOP-HOCLYGCPSA-N 2 1 349.475 1.782 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000246257962 443283729 /nfs/dbraw/zinc/28/37/29/443283729.db2.gz TZYWJCZGZOBXOP-HOCLYGCPSA-N 2 1 349.475 1.782 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)CN1CCOCC1 ZINC000246016829 443263050 /nfs/dbraw/zinc/26/30/50/443263050.db2.gz UOMDKSPJQUFGIL-IXDOHACOSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)C[NH+]1CCOCC1 ZINC000246016829 443263055 /nfs/dbraw/zinc/26/30/55/443263055.db2.gz UOMDKSPJQUFGIL-IXDOHACOSA-N 2 1 338.496 1.080 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000269473713 443318128 /nfs/dbraw/zinc/31/81/28/443318128.db2.gz JOLACXYQCZNMKO-OALUTQOASA-N 2 1 345.487 1.566 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000269473713 443318130 /nfs/dbraw/zinc/31/81/30/443318130.db2.gz JOLACXYQCZNMKO-OALUTQOASA-N 2 1 345.487 1.566 20 0 EDADMP C[C@H]([NH2+]CC(=O)NCC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272485073 443335252 /nfs/dbraw/zinc/33/52/52/443335252.db2.gz MLBVNFCXIUXIIL-ZFWWWQNUSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@H]([NH2+]CC(=O)NCC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272485073 443335256 /nfs/dbraw/zinc/33/52/56/443335256.db2.gz MLBVNFCXIUXIIL-ZFWWWQNUSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418587198 319506884 /nfs/dbraw/zinc/50/68/84/319506884.db2.gz GLNBMOMIRSKEHS-AEFFLSMTSA-N 2 1 330.476 1.554 20 0 EDADMP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000269681653 443393305 /nfs/dbraw/zinc/39/33/05/443393305.db2.gz IFIAGDCHIXLTKG-INIZCTEOSA-N 2 1 334.464 1.128 20 0 EDADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000269681653 443393308 /nfs/dbraw/zinc/39/33/08/443393308.db2.gz IFIAGDCHIXLTKG-INIZCTEOSA-N 2 1 334.464 1.128 20 0 EDADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000419031586 319544762 /nfs/dbraw/zinc/54/47/62/319544762.db2.gz ACZTXLYLWVDPPK-ZDUSSCGKSA-N 2 1 343.431 1.084 20 0 EDADMP Cn1cc([C@H](CO)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000272581153 443371579 /nfs/dbraw/zinc/37/15/79/443371579.db2.gz QMCBMDYELUKJFO-FFGOWVMKSA-N 2 1 340.471 1.954 20 0 EDADMP Cn1cc([C@H](CO)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000272581153 443371582 /nfs/dbraw/zinc/37/15/82/443371582.db2.gz QMCBMDYELUKJFO-FFGOWVMKSA-N 2 1 340.471 1.954 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1 ZINC000278840059 443458011 /nfs/dbraw/zinc/45/80/11/443458011.db2.gz ZNKZTHCKWZTYOH-SFHVURJKSA-N 2 1 331.460 1.870 20 0 EDADMP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2n(n1)CCC2 ZINC000423404388 319772056 /nfs/dbraw/zinc/77/20/56/319772056.db2.gz YGRKWABDLRJPPI-BXUZGUMPSA-N 2 1 331.386 1.316 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCC[NH+]1CC=CCC1 ZINC000279918088 443641642 /nfs/dbraw/zinc/64/16/42/443641642.db2.gz FYYKKJYIFVOXDN-LJQANCHMSA-N 2 1 343.471 1.656 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[NH+]1CC=CCC1 ZINC000279918088 443641644 /nfs/dbraw/zinc/64/16/44/443641644.db2.gz FYYKKJYIFVOXDN-LJQANCHMSA-N 2 1 343.471 1.656 20 0 EDADMP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)NCC[N@H+]1CC=CCC1 ZINC000279918088 443641647 /nfs/dbraw/zinc/64/16/47/443641647.db2.gz FYYKKJYIFVOXDN-LJQANCHMSA-N 2 1 343.471 1.656 20 0 EDADMP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)NCC[N@@H+]1CC=CCC1 ZINC000279918088 443641650 /nfs/dbraw/zinc/64/16/50/443641650.db2.gz FYYKKJYIFVOXDN-LJQANCHMSA-N 2 1 343.471 1.656 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449643532 320196228 /nfs/dbraw/zinc/19/62/28/320196228.db2.gz IGFLXQWXLFONRS-ALYAQQCSSA-N 2 1 325.497 1.754 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449643532 320196229 /nfs/dbraw/zinc/19/62/29/320196229.db2.gz IGFLXQWXLFONRS-ALYAQQCSSA-N 2 1 325.497 1.754 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457744757 320334668 /nfs/dbraw/zinc/33/46/68/320334668.db2.gz PMKJCNHJVJCMGS-MRXNPFEDSA-N 2 1 336.524 1.393 20 0 EDADMP COCCN1CCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)CC1 ZINC000298678520 443835869 /nfs/dbraw/zinc/83/58/69/443835869.db2.gz WXLATHLVQSYQFB-HNNXBMFYSA-N 2 1 340.493 1.324 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1)C1CC1 ZINC000293152241 443938214 /nfs/dbraw/zinc/93/82/14/443938214.db2.gz DVZRELNCKNFMRO-SFHVURJKSA-N 2 1 336.451 1.962 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1)C1CC1 ZINC000293152241 443938216 /nfs/dbraw/zinc/93/82/16/443938216.db2.gz DVZRELNCKNFMRO-SFHVURJKSA-N 2 1 336.451 1.962 20 0 EDADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000293226752 443956285 /nfs/dbraw/zinc/95/62/85/443956285.db2.gz XXLVXYIWBLSYNE-AWEZNQCLSA-N 2 1 343.431 1.429 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000293226752 443956289 /nfs/dbraw/zinc/95/62/89/443956289.db2.gz XXLVXYIWBLSYNE-AWEZNQCLSA-N 2 1 343.431 1.429 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293496666 444035127 /nfs/dbraw/zinc/03/51/27/444035127.db2.gz UIIYSUVTFMGFCB-ZDUSSCGKSA-N 2 1 331.420 1.428 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293496666 444035132 /nfs/dbraw/zinc/03/51/32/444035132.db2.gz UIIYSUVTFMGFCB-ZDUSSCGKSA-N 2 1 331.420 1.428 20 0 EDADMP CC[NH+](CC)CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000299285077 444006513 /nfs/dbraw/zinc/00/65/13/444006513.db2.gz NTQVUTSTVATJTH-MRXNPFEDSA-N 2 1 332.448 1.417 20 0 EDADMP CC[NH+](CC)CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000299285077 444006517 /nfs/dbraw/zinc/00/65/17/444006517.db2.gz NTQVUTSTVATJTH-MRXNPFEDSA-N 2 1 332.448 1.417 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000563714836 321113104 /nfs/dbraw/zinc/11/31/04/321113104.db2.gz MTPGWYAFESHGOH-MAUKXSAKSA-N 2 1 331.460 1.211 20 0 EDADMP CC[C@@H](C)[N@H+](CCN1CC[NH2+]CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000564989868 321163006 /nfs/dbraw/zinc/16/30/06/321163006.db2.gz VEODRGMISLAVEG-OAHLLOKOSA-N 2 1 343.475 1.841 20 0 EDADMP CC[C@@H](C)[N@@H+](CCN1CC[NH2+]CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000564989868 321163008 /nfs/dbraw/zinc/16/30/08/321163008.db2.gz VEODRGMISLAVEG-OAHLLOKOSA-N 2 1 343.475 1.841 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)CC1 ZINC000565171759 321172462 /nfs/dbraw/zinc/17/24/62/321172462.db2.gz MVOHZBNWFKYIEN-KRWDZBQOSA-N 2 1 347.507 1.446 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000566101068 321214573 /nfs/dbraw/zinc/21/45/73/321214573.db2.gz KSINFQRMRUBJQQ-LJHODMEESA-N 2 1 340.471 1.980 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000567842609 321261881 /nfs/dbraw/zinc/26/18/81/321261881.db2.gz UJSFROAXXIQMLG-RDJZCZTQSA-N 2 1 330.476 1.094 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000568748087 321304860 /nfs/dbraw/zinc/30/48/60/321304860.db2.gz ADCIFWBFFFXLKA-BBRMVZONSA-N 2 1 345.491 1.581 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](COC)C3CC3)CC2)CC1 ZINC000568765202 321305530 /nfs/dbraw/zinc/30/55/30/321305530.db2.gz VNRIJJCQWMUTOU-SFHVURJKSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@@H]1C[NH3+] ZINC000569085389 321317763 /nfs/dbraw/zinc/31/77/63/321317763.db2.gz DDLKRHPDQFGZER-YYIAUSFCSA-N 2 1 338.496 1.256 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000569481889 321327575 /nfs/dbraw/zinc/32/75/75/321327575.db2.gz UOWKYCMZHMIJQU-UHFFFAOYSA-N 2 1 334.464 1.398 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000569481889 321327577 /nfs/dbraw/zinc/32/75/77/321327577.db2.gz UOWKYCMZHMIJQU-UHFFFAOYSA-N 2 1 334.464 1.398 20 0 EDADMP C[NH2+][C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000285773136 444103675 /nfs/dbraw/zinc/10/36/75/444103675.db2.gz MGHGYXNEXIFCGR-QGZVFWFLSA-N 2 1 329.448 1.319 20 0 EDADMP C[NH2+][C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000285773136 444103680 /nfs/dbraw/zinc/10/36/80/444103680.db2.gz MGHGYXNEXIFCGR-QGZVFWFLSA-N 2 1 329.448 1.319 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1cccnc1 ZINC000570898515 321362446 /nfs/dbraw/zinc/36/24/46/321362446.db2.gz YMFQSNOBGAZLHT-IXDOHACOSA-N 2 1 332.448 1.594 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571081831 321370089 /nfs/dbraw/zinc/37/00/89/321370089.db2.gz HFWQJFQDPNQUGZ-OQIJWPOYSA-N 2 1 345.487 1.780 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571081831 321370091 /nfs/dbraw/zinc/37/00/91/321370091.db2.gz HFWQJFQDPNQUGZ-OQIJWPOYSA-N 2 1 345.487 1.780 20 0 EDADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC000571326627 321382914 /nfs/dbraw/zinc/38/29/14/321382914.db2.gz IOXAMRNBUGLVQN-HZPDHXFCSA-N 2 1 340.439 1.248 20 0 EDADMP CN(CCC[N@H+](C)CC(=O)N1CCCc2ccccc21)CC[NH+](C)C ZINC000289556694 444170661 /nfs/dbraw/zinc/17/06/61/444170661.db2.gz XNVRHKBJJKEZQC-UHFFFAOYSA-N 2 1 346.519 1.781 20 0 EDADMP CN(CCC[N@@H+](C)CC(=O)N1CCCc2ccccc21)CC[NH+](C)C ZINC000289556694 444170663 /nfs/dbraw/zinc/17/06/63/444170663.db2.gz XNVRHKBJJKEZQC-UHFFFAOYSA-N 2 1 346.519 1.781 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)n1C ZINC000572314090 321426042 /nfs/dbraw/zinc/42/60/42/321426042.db2.gz YBMSCGYNRUAUFR-UHFFFAOYSA-N 2 1 334.468 1.160 20 0 EDADMP C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)[C@H]2C1 ZINC000285939986 444158781 /nfs/dbraw/zinc/15/87/81/444158781.db2.gz VNCHSXKBDONZIP-RBUKOAKNSA-N 2 1 343.471 1.828 20 0 EDADMP COCCN(Cc1ccc2c(c1)OCO2)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289776704 444202231 /nfs/dbraw/zinc/20/22/31/444202231.db2.gz KTEUYDQIWWUOTJ-INIZCTEOSA-N 2 1 336.432 1.319 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)nc1 ZINC000297046094 444270289 /nfs/dbraw/zinc/27/02/89/444270289.db2.gz JUIJNJVMVYSXKK-INIZCTEOSA-N 2 1 349.479 1.338 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)[nH+]c1 ZINC000297046094 444270291 /nfs/dbraw/zinc/27/02/91/444270291.db2.gz JUIJNJVMVYSXKK-INIZCTEOSA-N 2 1 349.479 1.338 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccc(C[NH3+])cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000577116923 321624410 /nfs/dbraw/zinc/62/44/10/321624410.db2.gz HAWVAHLGGMBDBR-IIDMSEBBSA-N 2 1 333.476 1.895 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1ccn2ccnc2c1 ZINC000290047539 444235304 /nfs/dbraw/zinc/23/53/04/444235304.db2.gz BVATVCMPOCLMAE-UHFFFAOYSA-N 2 1 331.420 1.909 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccn2ccnc2c1 ZINC000290047539 444235307 /nfs/dbraw/zinc/23/53/07/444235307.db2.gz BVATVCMPOCLMAE-UHFFFAOYSA-N 2 1 331.420 1.909 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N(C)C2CCCCC2)CC1 ZINC000303277435 444235598 /nfs/dbraw/zinc/23/55/98/444235598.db2.gz LHKYLQONRYYMAC-INIZCTEOSA-N 2 1 339.524 1.802 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000290079385 444239100 /nfs/dbraw/zinc/23/91/00/444239100.db2.gz VYPCCTYRYFBJQN-SNRMKQJTSA-N 2 1 345.487 1.912 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000290079385 444239102 /nfs/dbraw/zinc/23/91/02/444239102.db2.gz VYPCCTYRYFBJQN-SNRMKQJTSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)CN2CCOCC2)C1 ZINC000304018865 444240078 /nfs/dbraw/zinc/24/00/78/444240078.db2.gz WYTHSFZOQVGBOY-QYZOEREBSA-N 2 1 339.524 1.266 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)CN2CCOCC2)C1 ZINC000304018865 444240079 /nfs/dbraw/zinc/24/00/79/444240079.db2.gz WYTHSFZOQVGBOY-QYZOEREBSA-N 2 1 339.524 1.266 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000304018865 444240081 /nfs/dbraw/zinc/24/00/81/444240081.db2.gz WYTHSFZOQVGBOY-QYZOEREBSA-N 2 1 339.524 1.266 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000304018865 444240082 /nfs/dbraw/zinc/24/00/82/444240082.db2.gz WYTHSFZOQVGBOY-QYZOEREBSA-N 2 1 339.524 1.266 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000290733523 444316472 /nfs/dbraw/zinc/31/64/72/444316472.db2.gz XJQSDQYGCJQXFX-WBVHZDCISA-N 2 1 332.448 1.759 20 0 EDADMP C[N@@H+](C[C@@H](O)CNC[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000310505693 444292398 /nfs/dbraw/zinc/29/23/98/444292398.db2.gz JBPRIRIFNYCHPE-ICSRJNTNSA-N 2 1 331.504 1.943 20 0 EDADMP C[NH+](C[C@@H](O)CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000310505693 444292399 /nfs/dbraw/zinc/29/23/99/444292399.db2.gz JBPRIRIFNYCHPE-ICSRJNTNSA-N 2 1 331.504 1.943 20 0 EDADMP C[NH+](C[C@@H](O)CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000310505693 444292400 /nfs/dbraw/zinc/29/24/00/444292400.db2.gz JBPRIRIFNYCHPE-ICSRJNTNSA-N 2 1 331.504 1.943 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000340506096 444415583 /nfs/dbraw/zinc/41/55/83/444415583.db2.gz SNHUKIXTAPEFCQ-CDHQVMDDSA-N 2 1 329.488 1.478 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340506096 444415588 /nfs/dbraw/zinc/41/55/88/444415588.db2.gz SNHUKIXTAPEFCQ-CDHQVMDDSA-N 2 1 329.488 1.478 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000340506096 444415593 /nfs/dbraw/zinc/41/55/93/444415593.db2.gz SNHUKIXTAPEFCQ-CDHQVMDDSA-N 2 1 329.488 1.478 20 0 EDADMP CCO[C@@H](CC[NH+](C)C)CN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340523609 444424173 /nfs/dbraw/zinc/42/41/73/444424173.db2.gz GRSSHCCLRBLDCN-RDJZCZTQSA-N 2 1 335.427 1.980 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000579554278 321946416 /nfs/dbraw/zinc/94/64/16/321946416.db2.gz AAJVZGMSOMNTSC-CSLYMUCUSA-N 2 1 336.480 1.607 20 0 EDADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000580196592 322022333 /nfs/dbraw/zinc/02/23/33/322022333.db2.gz UGCFYVANTDEYBA-QZTJIDSGSA-N 2 1 340.895 1.926 20 0 EDADMP C[C@]1(C(=O)N2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)CC[NH2+]C1 ZINC000580430038 322049901 /nfs/dbraw/zinc/04/99/01/322049901.db2.gz SVGAMOPXWCMYMN-IBGZPJMESA-N 2 1 345.491 1.582 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCN3CCNC3=O)C2)s1 ZINC000580776955 322094210 /nfs/dbraw/zinc/09/42/10/322094210.db2.gz FECVKLQETCFWLP-OAHLLOKOSA-N 2 1 336.505 1.835 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCN3CCNC3=O)C2)s1 ZINC000580776955 322094213 /nfs/dbraw/zinc/09/42/13/322094213.db2.gz FECVKLQETCFWLP-OAHLLOKOSA-N 2 1 336.505 1.835 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCN3CCNC3=O)C2)s1 ZINC000580776955 322094214 /nfs/dbraw/zinc/09/42/14/322094214.db2.gz FECVKLQETCFWLP-OAHLLOKOSA-N 2 1 336.505 1.835 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCN3CCNC3=O)C2)s1 ZINC000580776955 322094216 /nfs/dbraw/zinc/09/42/16/322094216.db2.gz FECVKLQETCFWLP-OAHLLOKOSA-N 2 1 336.505 1.835 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000580912283 322111865 /nfs/dbraw/zinc/11/18/65/322111865.db2.gz IRHRGCYSEICFSX-QGZVFWFLSA-N 2 1 345.491 1.146 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cccc4c3OCCO4)C2)nn1 ZINC000581179261 322144891 /nfs/dbraw/zinc/14/48/91/322144891.db2.gz XCTAHSMISZAQGS-OAHLLOKOSA-N 2 1 329.404 1.345 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000581320944 322164113 /nfs/dbraw/zinc/16/41/13/322164113.db2.gz SSIFVLRCAMLYJT-SFHVURJKSA-N 2 1 333.476 1.367 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000581597800 322196656 /nfs/dbraw/zinc/19/66/56/322196656.db2.gz YMSZBVKOWPKRNU-TWMKSMIVSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000581597800 322196657 /nfs/dbraw/zinc/19/66/57/322196657.db2.gz YMSZBVKOWPKRNU-TWMKSMIVSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000581893231 322229844 /nfs/dbraw/zinc/22/98/44/322229844.db2.gz LZXMKCINSBJSKO-QGZVFWFLSA-N 2 1 344.503 1.889 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)C2)nn1 ZINC000581993538 322242174 /nfs/dbraw/zinc/24/21/74/322242174.db2.gz DHQANOJQVUDVII-IAGOWNOFSA-N 2 1 340.431 1.179 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@H+]([C@@H]3CCN(c4ccccc4)C3=O)C2)nn1 ZINC000581993538 322242177 /nfs/dbraw/zinc/24/21/77/322242177.db2.gz DHQANOJQVUDVII-IAGOWNOFSA-N 2 1 340.431 1.179 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)[C@]34C[C@H]3CC[NH2+]4)CC[N@@H+]2C2CC2)c1 ZINC000581997292 322242266 /nfs/dbraw/zinc/24/22/66/322242266.db2.gz UXGXQXJOJQKMRZ-FBVAEJEDSA-N 2 1 341.455 1.841 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)[C@]34C[C@H]3CC[NH2+]4)CC[N@H+]2C2CC2)c1 ZINC000581997292 322242267 /nfs/dbraw/zinc/24/22/67/322242267.db2.gz UXGXQXJOJQKMRZ-FBVAEJEDSA-N 2 1 341.455 1.841 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1ccc(F)cc1 ZINC000343787535 444591670 /nfs/dbraw/zinc/59/16/70/444591670.db2.gz JIDKGGVQKQOMQQ-BTFYYFJDSA-N 2 1 347.434 1.359 20 0 EDADMP COc1ccc(Cl)cc1C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338264147 444596291 /nfs/dbraw/zinc/59/62/91/444596291.db2.gz OGVRMQXGBXHCBA-UHFFFAOYSA-N 2 1 339.867 1.945 20 0 EDADMP COc1ccc(Cl)cc1C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338264147 444596296 /nfs/dbraw/zinc/59/62/96/444596296.db2.gz OGVRMQXGBXHCBA-UHFFFAOYSA-N 2 1 339.867 1.945 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC[N@H+]1C ZINC000343823102 444611611 /nfs/dbraw/zinc/61/16/11/444611611.db2.gz SZWWIACZCNBNGC-BFYDXBDKSA-N 2 1 338.496 1.269 20 0 EDADMP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000343831561 444616243 /nfs/dbraw/zinc/61/62/43/444616243.db2.gz YDPYPWCHYBLOSJ-QWFCFKBJSA-N 2 1 346.471 1.897 20 0 EDADMP COC(=O)[C@](C)(O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000343831561 444616245 /nfs/dbraw/zinc/61/62/45/444616245.db2.gz YDPYPWCHYBLOSJ-QWFCFKBJSA-N 2 1 346.471 1.897 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000343831561 444616249 /nfs/dbraw/zinc/61/62/49/444616249.db2.gz YDPYPWCHYBLOSJ-QWFCFKBJSA-N 2 1 346.471 1.897 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000343831561 444616254 /nfs/dbraw/zinc/61/62/54/444616254.db2.gz YDPYPWCHYBLOSJ-QWFCFKBJSA-N 2 1 346.471 1.897 20 0 EDADMP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338296552 444616951 /nfs/dbraw/zinc/61/69/51/444616951.db2.gz SSAGGLNWYBZKNO-CQSZACIVSA-N 2 1 335.496 1.761 20 0 EDADMP C[C@]12CCC[N@@H+]1C[C@@H](c1noc([C@@H]3CCn4ccnc4C3)n1)OC2 ZINC000329672542 444674160 /nfs/dbraw/zinc/67/41/60/444674160.db2.gz NNWFHAPLNJNLTM-IIYDPXPESA-N 2 1 329.404 1.922 20 0 EDADMP C[C@]12CCC[N@H+]1C[C@@H](c1noc([C@@H]3CCn4ccnc4C3)n1)OC2 ZINC000329672542 444674167 /nfs/dbraw/zinc/67/41/67/444674167.db2.gz NNWFHAPLNJNLTM-IIYDPXPESA-N 2 1 329.404 1.922 20 0 EDADMP Cc1nc(CN2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)oc1C ZINC000342549512 444740550 /nfs/dbraw/zinc/74/05/50/444740550.db2.gz WFSMBROGYNHIKH-DYVFJYSZSA-N 2 1 348.491 1.817 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)oc1C ZINC000342549512 444740552 /nfs/dbraw/zinc/74/05/52/444740552.db2.gz WFSMBROGYNHIKH-DYVFJYSZSA-N 2 1 348.491 1.817 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)oc1C ZINC000342549512 444740555 /nfs/dbraw/zinc/74/05/55/444740555.db2.gz WFSMBROGYNHIKH-DYVFJYSZSA-N 2 1 348.491 1.817 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000341273578 444757145 /nfs/dbraw/zinc/75/71/45/444757145.db2.gz IGHLSCUDPIJDAC-UHFFFAOYSA-N 2 1 337.468 1.161 20 0 EDADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC2 ZINC000334048620 444761458 /nfs/dbraw/zinc/76/14/58/444761458.db2.gz QWRGVXXEMJDAPP-UHFFFAOYSA-N 2 1 344.459 1.674 20 0 EDADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC2 ZINC000334048620 444761462 /nfs/dbraw/zinc/76/14/62/444761462.db2.gz QWRGVXXEMJDAPP-UHFFFAOYSA-N 2 1 344.459 1.674 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000344078409 444769613 /nfs/dbraw/zinc/76/96/13/444769613.db2.gz QNEWNOYQIBQXCK-QGZVFWFLSA-N 2 1 345.491 1.052 20 0 EDADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCN4CCOCC4)C[C@@H]3C2)cc1 ZINC000336701114 444794798 /nfs/dbraw/zinc/79/47/98/444794798.db2.gz JUZJEHWWXMPVNL-UXHICEINSA-N 2 1 329.488 1.773 20 0 EDADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCN4CCOCC4)C[C@@H]3C2)cc1 ZINC000336701114 444794801 /nfs/dbraw/zinc/79/48/01/444794801.db2.gz JUZJEHWWXMPVNL-UXHICEINSA-N 2 1 329.488 1.773 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCN4CCOCC4)C[C@@H]3C2)cc1 ZINC000336701114 444794804 /nfs/dbraw/zinc/79/48/04/444794804.db2.gz JUZJEHWWXMPVNL-UXHICEINSA-N 2 1 329.488 1.773 20 0 EDADMP C[C@@H]1C[C@H](CO)CC[NH+]1CCOCC[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344125556 444795374 /nfs/dbraw/zinc/79/53/74/444795374.db2.gz IAQXLRSWXOYMHY-BRSBDYLESA-N 2 1 328.497 1.189 20 0 EDADMP C[C@H]1COCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000330000958 444805651 /nfs/dbraw/zinc/80/56/51/444805651.db2.gz XIWCKSVGACAWGV-ZQDZILKHSA-N 2 1 337.443 1.474 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000330030250 444818507 /nfs/dbraw/zinc/81/85/07/444818507.db2.gz RHHHVGUOMCYGHS-UHFFFAOYSA-N 2 1 344.463 1.779 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000330030250 444818513 /nfs/dbraw/zinc/81/85/13/444818513.db2.gz RHHHVGUOMCYGHS-UHFFFAOYSA-N 2 1 344.463 1.779 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]([NH3+])CCC(=O)OC)[N@H+]1CCc2ccccc2C1 ZINC000342758556 444851587 /nfs/dbraw/zinc/85/15/87/444851587.db2.gz UKXNJLMJXIVIKF-SJORKVTESA-N 2 1 347.459 1.220 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000342764640 444855139 /nfs/dbraw/zinc/85/51/39/444855139.db2.gz JDOZWTYQXWDFQX-BPUTZDHNSA-N 2 1 333.432 1.219 20 0 EDADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cc(=O)c(OC)co1 ZINC000344183851 444827448 /nfs/dbraw/zinc/82/74/48/444827448.db2.gz UOPACTBAPKMQSE-UHFFFAOYSA-N 2 1 337.464 1.498 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cc(=O)c(OC)co1 ZINC000344183851 444827451 /nfs/dbraw/zinc/82/74/51/444827451.db2.gz UOPACTBAPKMQSE-UHFFFAOYSA-N 2 1 337.464 1.498 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000339060513 445012829 /nfs/dbraw/zinc/01/28/29/445012829.db2.gz ZJVYDJARBKOGKI-UXPWSPDFSA-N 2 1 349.494 1.687 20 0 EDADMP C[C@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)CCN1C1CC[NH+](C)CC1 ZINC000339061303 445014441 /nfs/dbraw/zinc/01/44/41/445014441.db2.gz HMUKWPXXGNMFPT-OXJNMPFZSA-N 2 1 349.494 1.829 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000343090100 445054100 /nfs/dbraw/zinc/05/41/00/445054100.db2.gz GZGFMWJLWLYJBP-BPQIPLTHSA-N 2 1 330.476 1.560 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000343090100 445054104 /nfs/dbraw/zinc/05/41/04/445054104.db2.gz GZGFMWJLWLYJBP-BPQIPLTHSA-N 2 1 330.476 1.560 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000343090100 445054108 /nfs/dbraw/zinc/05/41/08/445054108.db2.gz GZGFMWJLWLYJBP-BPQIPLTHSA-N 2 1 330.476 1.560 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000343157055 445102563 /nfs/dbraw/zinc/10/25/63/445102563.db2.gz HXXALQQGNNYYMA-HRCADAONSA-N 2 1 340.512 1.070 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000343157542 445103821 /nfs/dbraw/zinc/10/38/21/445103821.db2.gz FSLBHFKZWYXFKK-QGZVFWFLSA-N 2 1 333.480 1.869 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000337568055 445141328 /nfs/dbraw/zinc/14/13/28/445141328.db2.gz XMYIRJUHDDCEHD-YESZJQIVSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000337568055 445141333 /nfs/dbraw/zinc/14/13/33/445141333.db2.gz XMYIRJUHDDCEHD-YESZJQIVSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000337568055 445141336 /nfs/dbraw/zinc/14/13/36/445141336.db2.gz XMYIRJUHDDCEHD-YESZJQIVSA-N 2 1 338.496 1.269 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000344684950 445127155 /nfs/dbraw/zinc/12/71/55/445127155.db2.gz AUALCBJTGDFNLO-KRWDZBQOSA-N 2 1 336.524 1.347 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000344684950 445127157 /nfs/dbraw/zinc/12/71/57/445127157.db2.gz AUALCBJTGDFNLO-KRWDZBQOSA-N 2 1 336.524 1.347 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000344684950 445127160 /nfs/dbraw/zinc/12/71/60/445127160.db2.gz AUALCBJTGDFNLO-KRWDZBQOSA-N 2 1 336.524 1.347 20 0 EDADMP CC[C@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000339270074 445127315 /nfs/dbraw/zinc/12/73/15/445127315.db2.gz KHQUJWQXCDTAGP-PKOBYXMFSA-N 2 1 346.519 1.649 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000342082696 445162399 /nfs/dbraw/zinc/16/23/99/445162399.db2.gz YYSSXCLPZNVVDU-KLHDSHLOSA-N 2 1 325.497 1.863 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CCC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000339613275 445153440 /nfs/dbraw/zinc/15/34/40/445153440.db2.gz NBRBJWUCKWUVHM-INIZCTEOSA-N 2 1 326.485 1.080 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CCC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000339613275 445153444 /nfs/dbraw/zinc/15/34/44/445153444.db2.gz NBRBJWUCKWUVHM-INIZCTEOSA-N 2 1 326.485 1.080 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1C[NH+]2CCN1CCC2 ZINC000343416501 445218567 /nfs/dbraw/zinc/21/85/67/445218567.db2.gz YWGRZGXQFHUXHC-RBUKOAKNSA-N 2 1 342.487 1.157 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343416501 445218568 /nfs/dbraw/zinc/21/85/68/445218568.db2.gz YWGRZGXQFHUXHC-RBUKOAKNSA-N 2 1 342.487 1.157 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343416501 445218569 /nfs/dbraw/zinc/21/85/69/445218569.db2.gz YWGRZGXQFHUXHC-RBUKOAKNSA-N 2 1 342.487 1.157 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCC[N@H+]1C ZINC000345734949 445197441 /nfs/dbraw/zinc/19/74/41/445197441.db2.gz COFWFZVEODAFDP-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP C[NH+]1CCC(Nc2nc3ccccc3nc2N2CC[NH+](C)CC2)CC1 ZINC000343325197 445199473 /nfs/dbraw/zinc/19/94/73/445199473.db2.gz XDKWEKDYVHFSAG-UHFFFAOYSA-N 2 1 340.475 1.888 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@H+]2C)CC1 ZINC000347519659 445240573 /nfs/dbraw/zinc/24/05/73/445240573.db2.gz QSUKPVIDAKBSQX-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ncc(C[NH+](C)C)s1 ZINC000348367197 445268415 /nfs/dbraw/zinc/26/84/15/445268415.db2.gz DZYYXVCPYRGPDS-CQSZACIVSA-N 2 1 338.521 1.890 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ncc(C[NH+](C)C)s1 ZINC000348367197 445268416 /nfs/dbraw/zinc/26/84/16/445268416.db2.gz DZYYXVCPYRGPDS-CQSZACIVSA-N 2 1 338.521 1.890 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCC[N@H+]1C ZINC000343626015 445269380 /nfs/dbraw/zinc/26/93/80/445269380.db2.gz OJFFYKCJGPMUFB-QAPCUYQASA-N 2 1 345.491 1.828 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000348010439 445261327 /nfs/dbraw/zinc/26/13/27/445261327.db2.gz WPOBCQDODAVMBZ-CALCHBBNSA-N 2 1 325.497 1.140 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000348204758 445315251 /nfs/dbraw/zinc/31/52/51/445315251.db2.gz UOESHLPSSHNETA-UHFFFAOYSA-N 2 1 341.459 1.893 20 0 EDADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000348208338 445316226 /nfs/dbraw/zinc/31/62/26/445316226.db2.gz DFVZIVMKPKUYCG-MRXNPFEDSA-N 2 1 340.537 1.409 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000348208338 445316227 /nfs/dbraw/zinc/31/62/27/445316227.db2.gz DFVZIVMKPKUYCG-MRXNPFEDSA-N 2 1 340.537 1.409 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C)[NH+]1CCOCC1 ZINC000343663050 445289586 /nfs/dbraw/zinc/28/95/86/445289586.db2.gz WJSKASKQJGQXBA-GVDBMIGSSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)[NH+]1CCOCC1 ZINC000343663050 445289590 /nfs/dbraw/zinc/28/95/90/445289590.db2.gz WJSKASKQJGQXBA-GVDBMIGSSA-N 2 1 340.512 1.515 20 0 EDADMP Cc1nc(CN2C[C@H](F)C[C@H]2C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)no1 ZINC000348168169 445300094 /nfs/dbraw/zinc/30/00/94/445300094.db2.gz HITWRJVMTLGPLE-PMPSAXMXSA-N 2 1 339.459 1.707 20 0 EDADMP Cc1nc(CN2C[C@H](F)C[C@H]2C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)no1 ZINC000348168169 445300097 /nfs/dbraw/zinc/30/00/97/445300097.db2.gz HITWRJVMTLGPLE-PMPSAXMXSA-N 2 1 339.459 1.707 20 0 EDADMP Cc1nc(CN2C[C@H](F)C[C@H]2C[NH+](C)CC[C@@H]2CCC[N@H+]2C)no1 ZINC000348168169 445300101 /nfs/dbraw/zinc/30/01/01/445300101.db2.gz HITWRJVMTLGPLE-PMPSAXMXSA-N 2 1 339.459 1.707 20 0 EDADMP Cc1nnc(N2C[C@H](F)C[C@@H]2C[N@H+](C)CC[C@H]2CCC[NH+]2C)o1 ZINC000348173194 445302822 /nfs/dbraw/zinc/30/28/22/445302822.db2.gz KJVFREWXFUOENI-RBSFLKMASA-N 2 1 325.432 1.711 20 0 EDADMP Cc1nnc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)CC[C@H]2CCC[NH+]2C)o1 ZINC000348173194 445302823 /nfs/dbraw/zinc/30/28/23/445302823.db2.gz KJVFREWXFUOENI-RBSFLKMASA-N 2 1 325.432 1.711 20 0 EDADMP Cc1nnc(N2C[C@H](F)C[C@@H]2C[NH+](C)CC[C@H]2CCC[N@@H+]2C)o1 ZINC000348173194 445302825 /nfs/dbraw/zinc/30/28/25/445302825.db2.gz KJVFREWXFUOENI-RBSFLKMASA-N 2 1 325.432 1.711 20 0 EDADMP Cc1nnc(N2C[C@H](F)C[C@@H]2C[NH+](C)CC[C@H]2CCC[N@H+]2C)o1 ZINC000348173194 445302827 /nfs/dbraw/zinc/30/28/27/445302827.db2.gz KJVFREWXFUOENI-RBSFLKMASA-N 2 1 325.432 1.711 20 0 EDADMP Cc1nccn1CCC[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000348254457 445329024 /nfs/dbraw/zinc/32/90/24/445329024.db2.gz FGUFAAYULBDGHJ-UHFFFAOYSA-N 2 1 333.480 1.256 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000348254457 445329027 /nfs/dbraw/zinc/32/90/27/445329027.db2.gz FGUFAAYULBDGHJ-UHFFFAOYSA-N 3 1 333.480 1.256 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000348254457 445329031 /nfs/dbraw/zinc/32/90/31/445329031.db2.gz FGUFAAYULBDGHJ-UHFFFAOYSA-N 3 1 333.480 1.256 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)CCCOc2ccc(F)cc2)C1 ZINC000351862447 445346393 /nfs/dbraw/zinc/34/63/93/445346393.db2.gz OZSAXGDERHJTNA-HUUCEWRRSA-N 2 1 337.439 1.722 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)CCCOc2ccc(F)cc2)C1 ZINC000351862447 445346395 /nfs/dbraw/zinc/34/63/95/445346395.db2.gz OZSAXGDERHJTNA-HUUCEWRRSA-N 2 1 337.439 1.722 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000351862898 445346638 /nfs/dbraw/zinc/34/66/38/445346638.db2.gz RRHBGEZMQLCXFL-KGLIPLIRSA-N 2 1 339.867 1.846 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000351862898 445346641 /nfs/dbraw/zinc/34/66/41/445346641.db2.gz RRHBGEZMQLCXFL-KGLIPLIRSA-N 2 1 339.867 1.846 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000351865695 445347478 /nfs/dbraw/zinc/34/74/78/445347478.db2.gz OQDUJYZZTRICHQ-AJNGGQMLSA-N 2 1 349.475 1.939 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000351865695 445347480 /nfs/dbraw/zinc/34/74/80/445347480.db2.gz OQDUJYZZTRICHQ-AJNGGQMLSA-N 2 1 349.475 1.939 20 0 EDADMP COC(=O)c1cn([C@@H]2CC[N@@H+](CCCc3ccc(C)nc3)C2)nn1 ZINC000354643193 445324877 /nfs/dbraw/zinc/32/48/77/445324877.db2.gz ASDZIXFOYMWBDD-OAHLLOKOSA-N 2 1 329.404 1.648 20 0 EDADMP COCC[N@H+](C)CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000348833733 445408099 /nfs/dbraw/zinc/40/80/99/445408099.db2.gz PUCBLDQYTGGMNQ-OAHLLOKOSA-N 2 1 327.856 1.637 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000348833733 445408103 /nfs/dbraw/zinc/40/81/03/445408103.db2.gz PUCBLDQYTGGMNQ-OAHLLOKOSA-N 2 1 327.856 1.637 20 0 EDADMP c1c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)nnn1Cc1cccnc1 ZINC000357055332 445398724 /nfs/dbraw/zinc/39/87/24/445398724.db2.gz QULJAFQNLZUJLI-QGZVFWFLSA-N 2 1 326.448 1.543 20 0 EDADMP O=C(CCOC1C[NH2+]C1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000349006244 445473015 /nfs/dbraw/zinc/47/30/15/445473015.db2.gz UAAZIMBTJHWOMN-QGZVFWFLSA-N 2 1 331.460 1.046 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000359902510 445480149 /nfs/dbraw/zinc/48/01/49/445480149.db2.gz AZORSDANCPRIMT-JKSUJKDBSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000359902510 445480151 /nfs/dbraw/zinc/48/01/51/445480151.db2.gz AZORSDANCPRIMT-JKSUJKDBSA-N 2 1 328.501 1.205 20 0 EDADMP CC[NH+]1CCN(CCC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000357108526 445432979 /nfs/dbraw/zinc/43/29/79/445432979.db2.gz FWWBTTVDURRIIW-SFHVURJKSA-N 2 1 338.540 1.785 20 0 EDADMP CCN1CC[NH+](CCC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000357108526 445432982 /nfs/dbraw/zinc/43/29/82/445432982.db2.gz FWWBTTVDURRIIW-SFHVURJKSA-N 2 1 338.540 1.785 20 0 EDADMP CCN1CC[NH+](CCC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000357108526 445432985 /nfs/dbraw/zinc/43/29/85/445432985.db2.gz FWWBTTVDURRIIW-SFHVURJKSA-N 2 1 338.540 1.785 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000348919349 445440777 /nfs/dbraw/zinc/44/07/77/445440777.db2.gz GITBQXGMPYBDAX-UHFFFAOYSA-N 2 1 344.503 1.739 20 0 EDADMP CC[NH+](CC)CC1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000362564102 445441844 /nfs/dbraw/zinc/44/18/44/445441844.db2.gz HKKKJFGTRRJEPQ-HNNXBMFYSA-N 2 1 333.480 1.681 20 0 EDADMP COC[C@@]1(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000357266423 445516186 /nfs/dbraw/zinc/51/61/86/445516186.db2.gz HVGNWMBIJDXEGY-ICSRJNTNSA-N 2 1 345.487 1.926 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000359923935 445490658 /nfs/dbraw/zinc/49/06/58/445490658.db2.gz MHZRHWNFRJFRKQ-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP COCC[NH+](CCOC)C1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000353021368 445571768 /nfs/dbraw/zinc/57/17/68/445571768.db2.gz JPFSZVARYKCFQX-SFHVURJKSA-N 3 1 341.540 1.920 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)[C@@H](C)C1 ZINC000353028612 445572163 /nfs/dbraw/zinc/57/21/63/445572163.db2.gz BVXDSNKWBQXYKT-NCOADZHNSA-N 2 1 340.512 1.346 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000362845391 445578100 /nfs/dbraw/zinc/57/81/00/445578100.db2.gz ZRZYIOYMMILBRL-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000362845391 445578104 /nfs/dbraw/zinc/57/81/04/445578104.db2.gz ZRZYIOYMMILBRL-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000362845391 445578107 /nfs/dbraw/zinc/57/81/07/445578107.db2.gz ZRZYIOYMMILBRL-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000353175641 445579184 /nfs/dbraw/zinc/57/91/84/445579184.db2.gz XAVQLWKOPKARQL-IAGOWNOFSA-N 2 1 337.508 1.772 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000360125547 445581848 /nfs/dbraw/zinc/58/18/48/445581848.db2.gz PLGFSESUXMTRTC-JKSUJKDBSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000360125547 445581849 /nfs/dbraw/zinc/58/18/49/445581849.db2.gz PLGFSESUXMTRTC-JKSUJKDBSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000360125547 445581850 /nfs/dbraw/zinc/58/18/50/445581850.db2.gz PLGFSESUXMTRTC-JKSUJKDBSA-N 2 1 340.512 1.610 20 0 EDADMP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000360138179 445590505 /nfs/dbraw/zinc/59/05/05/445590505.db2.gz ZSPIJRNWJFRTGS-IXDOHACOSA-N 2 1 340.512 1.610 20 0 EDADMP CSC1(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC[NH+](C)CC1 ZINC000357856903 445586808 /nfs/dbraw/zinc/58/68/08/445586808.db2.gz CFAJMZWGNLMWPR-ZIAGYGMSSA-N 2 1 340.537 1.738 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000357320633 445546201 /nfs/dbraw/zinc/54/62/01/445546201.db2.gz ZEKQWXZBESWTLT-GJYPPUQNSA-N 2 1 344.503 1.550 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H](C)C[NH+](C)C)CC2)cn1 ZINC000358520384 445630136 /nfs/dbraw/zinc/63/01/36/445630136.db2.gz HCELBWAIRFPUGC-OAHLLOKOSA-N 2 1 336.484 1.070 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N(C)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000353500542 445631007 /nfs/dbraw/zinc/63/10/07/445631007.db2.gz LIZRZMNSBFHUIU-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C[NH+]1CCOCC1 ZINC000353506992 445634938 /nfs/dbraw/zinc/63/49/38/445634938.db2.gz MKRAHHWSDXUZCG-VPSFDDGASA-N 2 1 338.496 1.221 20 0 EDADMP C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C[NH+]1CCOCC1 ZINC000353506992 445634940 /nfs/dbraw/zinc/63/49/40/445634940.db2.gz MKRAHHWSDXUZCG-VPSFDDGASA-N 2 1 338.496 1.221 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000349660712 445638061 /nfs/dbraw/zinc/63/80/61/445638061.db2.gz DDHYSILWFRYPBO-OAHLLOKOSA-N 2 1 347.459 1.458 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000349660712 445638065 /nfs/dbraw/zinc/63/80/65/445638065.db2.gz DDHYSILWFRYPBO-OAHLLOKOSA-N 2 1 347.459 1.458 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000358536174 445640051 /nfs/dbraw/zinc/64/00/51/445640051.db2.gz YQJUQYOSMCELBM-KLHDSHLOSA-N 2 1 326.485 1.220 20 0 EDADMP C[N@@H+](CC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)C1CCCC1 ZINC000363020233 445651457 /nfs/dbraw/zinc/65/14/57/445651457.db2.gz FOVFFVGJHOOJRO-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C1 ZINC000363158716 445702059 /nfs/dbraw/zinc/70/20/59/445702059.db2.gz DAIABRACHZNPFS-DOTOQJQBSA-N 2 1 332.448 1.193 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C1 ZINC000363158716 445702063 /nfs/dbraw/zinc/70/20/63/445702063.db2.gz DAIABRACHZNPFS-DOTOQJQBSA-N 2 1 332.448 1.193 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000363158716 445702066 /nfs/dbraw/zinc/70/20/66/445702066.db2.gz DAIABRACHZNPFS-DOTOQJQBSA-N 2 1 332.448 1.193 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000363158716 445702070 /nfs/dbraw/zinc/70/20/70/445702070.db2.gz DAIABRACHZNPFS-DOTOQJQBSA-N 2 1 332.448 1.193 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN2CCC[N@H+](C3CCCC3)CC2)C[C@@H](C)O1 ZINC000349884670 445711913 /nfs/dbraw/zinc/71/19/13/445711913.db2.gz RUWVMRQYZXLYKV-ZHALLVOQSA-N 2 1 339.524 1.407 20 0 EDADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000349903890 445716847 /nfs/dbraw/zinc/71/68/47/445716847.db2.gz IBKRKOTWVBVPPI-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP COCC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)CC(C)C ZINC000363078761 445669591 /nfs/dbraw/zinc/66/95/91/445669591.db2.gz CVDSOXJLRSIPPK-KRWDZBQOSA-N 2 1 343.512 1.064 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3nccs3)CC2)CC1 ZINC000349947951 445731235 /nfs/dbraw/zinc/73/12/35/445731235.db2.gz OUOCVHMUCOZHSF-UHFFFAOYSA-N 2 1 336.505 1.923 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000363235153 445734088 /nfs/dbraw/zinc/73/40/88/445734088.db2.gz YWPIXCIKTONTAG-CRAIPNDOSA-N 2 1 345.491 1.685 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000363235153 445734091 /nfs/dbraw/zinc/73/40/91/445734091.db2.gz YWPIXCIKTONTAG-CRAIPNDOSA-N 2 1 345.491 1.685 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC(=O)NCC[N@@H+](C)C1CC1 ZINC000363235153 445734095 /nfs/dbraw/zinc/73/40/95/445734095.db2.gz YWPIXCIKTONTAG-CRAIPNDOSA-N 2 1 345.491 1.685 20 0 EDADMP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000363314340 445763331 /nfs/dbraw/zinc/76/33/31/445763331.db2.gz LKOLTQHFPSGCHY-ZWKOTPCHSA-N 2 1 335.492 1.432 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(C(=O)NC)c2)C1 ZINC000350244490 445799299 /nfs/dbraw/zinc/79/92/99/445799299.db2.gz DBLCIWNPIQUKJZ-SFHVURJKSA-N 2 1 333.476 1.979 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000363441177 445805809 /nfs/dbraw/zinc/80/58/09/445805809.db2.gz DXGRYUGBKPUTLR-HZTRTUMWSA-N 2 1 333.480 2.000 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000363441177 445805815 /nfs/dbraw/zinc/80/58/15/445805815.db2.gz DXGRYUGBKPUTLR-HZTRTUMWSA-N 2 1 333.480 2.000 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000363871850 445880493 /nfs/dbraw/zinc/88/04/93/445880493.db2.gz IFBHRCWXAHHDDO-RCCFBDPRSA-N 2 1 337.508 1.724 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000356521446 445838241 /nfs/dbraw/zinc/83/82/41/445838241.db2.gz KHVDESOKVYKGJE-MRXNPFEDSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000356521446 445838243 /nfs/dbraw/zinc/83/82/43/445838243.db2.gz KHVDESOKVYKGJE-MRXNPFEDSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000356521446 445838249 /nfs/dbraw/zinc/83/82/49/445838249.db2.gz KHVDESOKVYKGJE-MRXNPFEDSA-N 2 1 340.512 1.071 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNCc1cccc(O)c1 ZINC000363532454 445847162 /nfs/dbraw/zinc/84/71/62/445847162.db2.gz BFAWMLBMCFFZKH-UHFFFAOYSA-N 2 1 343.475 1.866 20 0 EDADMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1cccc(O)c1 ZINC000363532454 445847164 /nfs/dbraw/zinc/84/71/64/445847164.db2.gz BFAWMLBMCFFZKH-UHFFFAOYSA-N 2 1 343.475 1.866 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCCOCc2ccccc2)CC1 ZINC000363771961 445874782 /nfs/dbraw/zinc/87/47/82/445874782.db2.gz AAFDITCVHLWLKI-UHFFFAOYSA-N 2 1 348.487 1.752 20 0 EDADMP CCOCC[N@H+]1CCN(c2ccnc(N3CCOCC3)n2)C[C@H]1CC ZINC000354077329 445889832 /nfs/dbraw/zinc/88/98/32/445889832.db2.gz YKYGOGLYXKTHJM-MRXNPFEDSA-N 2 1 349.479 1.250 20 0 EDADMP CCOCCN1CCN(c2ccnc(N3CCOCC3)n2)C[C@H]1CC ZINC000354077329 445889834 /nfs/dbraw/zinc/88/98/34/445889834.db2.gz YKYGOGLYXKTHJM-MRXNPFEDSA-N 2 1 349.479 1.250 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)[N@H+]1CCO ZINC000364775355 445954153 /nfs/dbraw/zinc/95/41/53/445954153.db2.gz SIADGFHUEICBCY-BBWFWOEESA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000364775355 445954157 /nfs/dbraw/zinc/95/41/57/445954157.db2.gz SIADGFHUEICBCY-BBWFWOEESA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H](C)[NH+]1CCO ZINC000364775355 445954162 /nfs/dbraw/zinc/95/41/62/445954162.db2.gz SIADGFHUEICBCY-BBWFWOEESA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](C)[NH+]1CCO ZINC000364775355 445954166 /nfs/dbraw/zinc/95/41/66/445954166.db2.gz SIADGFHUEICBCY-BBWFWOEESA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000366051865 445982994 /nfs/dbraw/zinc/98/29/94/445982994.db2.gz RQRYZCQHBDMEGE-WCVJEAGWSA-N 2 1 333.480 1.067 20 0 EDADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000373083470 446015802 /nfs/dbraw/zinc/01/58/02/446015802.db2.gz HRQXZCDRGAGVOV-MSOLQXFVSA-N 2 1 335.492 1.763 20 0 EDADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000373083470 446015807 /nfs/dbraw/zinc/01/58/07/446015807.db2.gz HRQXZCDRGAGVOV-MSOLQXFVSA-N 2 1 335.492 1.763 20 0 EDADMP C[N@@H+](CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000369250408 446021030 /nfs/dbraw/zinc/02/10/30/446021030.db2.gz OWIGXQXLLHYUQG-UHFFFAOYSA-N 2 1 338.496 1.415 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000365106834 446028780 /nfs/dbraw/zinc/02/87/80/446028780.db2.gz DVDHZKURCFXWLP-XHSDSOJGSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C[C@H](C)[NH+]1CCO ZINC000365106834 446028785 /nfs/dbraw/zinc/02/87/85/446028785.db2.gz DVDHZKURCFXWLP-XHSDSOJGSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C[C@H](C)[NH+]1CCO ZINC000365106834 446028792 /nfs/dbraw/zinc/02/87/92/446028792.db2.gz DVDHZKURCFXWLP-XHSDSOJGSA-N 2 1 338.496 1.100 20 0 EDADMP CCS(=O)(=O)N1CC(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000583018948 325981139 /nfs/dbraw/zinc/98/11/39/325981139.db2.gz NOXCJDIQIBPVNH-IRXDYDNUSA-N 2 1 337.489 1.351 20 0 EDADMP CC[C@H](C(=O)NC[C@H]1C[NH+](C)CCN1C)[N@@H+](C)Cc1ccccc1 ZINC000354210740 446004873 /nfs/dbraw/zinc/00/48/73/446004873.db2.gz ULHQNBSKLNHJPG-ZWKOTPCHSA-N 2 1 332.492 1.259 20 0 EDADMP CC[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+](C)Cc1ccccc1 ZINC000354210740 446004876 /nfs/dbraw/zinc/00/48/76/446004876.db2.gz ULHQNBSKLNHJPG-ZWKOTPCHSA-N 2 1 332.492 1.259 20 0 EDADMP CC[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+](C)Cc1ccccc1 ZINC000354210740 446004882 /nfs/dbraw/zinc/00/48/82/446004882.db2.gz ULHQNBSKLNHJPG-ZWKOTPCHSA-N 2 1 332.492 1.259 20 0 EDADMP C[C@@H]1CN(C[C@H]2CN(C)CCO2)CC[N@H+]1C[C@H](O)C1CCCCC1 ZINC000365074997 446008568 /nfs/dbraw/zinc/00/85/68/446008568.db2.gz XYDICEWXFBGOPW-QRQLOZEOSA-N 2 1 339.524 1.264 20 0 EDADMP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@H](O)C1CCCCC1 ZINC000365074997 446008581 /nfs/dbraw/zinc/00/85/81/446008581.db2.gz XYDICEWXFBGOPW-QRQLOZEOSA-N 2 1 339.524 1.264 20 0 EDADMP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@H](O)C1CCCCC1 ZINC000365074997 446008585 /nfs/dbraw/zinc/00/85/85/446008585.db2.gz XYDICEWXFBGOPW-QRQLOZEOSA-N 2 1 339.524 1.264 20 0 EDADMP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@H](O)C1CCCCC1 ZINC000365074997 446008596 /nfs/dbraw/zinc/00/85/96/446008596.db2.gz XYDICEWXFBGOPW-QRQLOZEOSA-N 2 1 339.524 1.264 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000366095141 446008598 /nfs/dbraw/zinc/00/85/98/446008598.db2.gz YNKQGMPYNBBQEW-UHFFFAOYSA-N 2 1 341.459 1.881 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583193387 326022680 /nfs/dbraw/zinc/02/26/80/326022680.db2.gz AVZBMBGWNHIUDD-JQHSSLGASA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583371050 326059675 /nfs/dbraw/zinc/05/96/75/326059675.db2.gz UZVNBQDGIRQZQB-CGTJXYLNSA-N 2 1 346.475 1.409 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583371050 326059678 /nfs/dbraw/zinc/05/96/78/326059678.db2.gz UZVNBQDGIRQZQB-CGTJXYLNSA-N 2 1 346.475 1.409 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NCCc3cccc(F)c3)C2)CC1 ZINC000365158702 446059623 /nfs/dbraw/zinc/05/96/23/446059623.db2.gz GJPUTGUJOAABRL-KRWDZBQOSA-N 2 1 348.466 1.836 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NCCc3cccc(F)c3)C2)CC1 ZINC000365158702 446059626 /nfs/dbraw/zinc/05/96/26/446059626.db2.gz GJPUTGUJOAABRL-KRWDZBQOSA-N 2 1 348.466 1.836 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]C2(c3ccccc3)CCOCC2)CC1 ZINC000583681036 326116333 /nfs/dbraw/zinc/11/63/33/326116333.db2.gz OKUSSTXPXLWARN-UHFFFAOYSA-N 2 1 331.460 1.446 20 0 EDADMP Cn1cnc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000356874458 446088028 /nfs/dbraw/zinc/08/80/28/446088028.db2.gz QGXNZCRGWPIHEK-KZNAEPCWSA-N 2 1 325.460 1.858 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000356931424 446135457 /nfs/dbraw/zinc/13/54/57/446135457.db2.gz XWYNYNOTDQVZLA-QGZVFWFLSA-N 2 1 329.444 1.639 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000356931424 446135462 /nfs/dbraw/zinc/13/54/62/446135462.db2.gz XWYNYNOTDQVZLA-QGZVFWFLSA-N 2 1 329.444 1.639 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000365228913 446089712 /nfs/dbraw/zinc/08/97/12/446089712.db2.gz LXWDACWGVOPCJA-INDMIFKZSA-N 2 1 342.524 1.985 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000365228913 446089716 /nfs/dbraw/zinc/08/97/16/446089716.db2.gz LXWDACWGVOPCJA-INDMIFKZSA-N 2 1 342.524 1.985 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000365228913 446089721 /nfs/dbraw/zinc/08/97/21/446089721.db2.gz LXWDACWGVOPCJA-INDMIFKZSA-N 2 1 342.524 1.985 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000365228913 446089724 /nfs/dbraw/zinc/08/97/24/446089724.db2.gz LXWDACWGVOPCJA-INDMIFKZSA-N 2 1 342.524 1.985 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCCOc3cccc(Cl)c3)C[C@H]12 ZINC000351494613 446098980 /nfs/dbraw/zinc/09/89/80/446098980.db2.gz OLQKOIHKKBZOKL-VBNZEHGJSA-N 2 1 337.851 1.504 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCCOc3cccc(Cl)c3)C[C@H]12 ZINC000351494613 446098981 /nfs/dbraw/zinc/09/89/81/446098981.db2.gz OLQKOIHKKBZOKL-VBNZEHGJSA-N 2 1 337.851 1.504 20 0 EDADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000356895057 446102572 /nfs/dbraw/zinc/10/25/72/446102572.db2.gz YKSLBWDZIKGJSK-DLBZAZTESA-N 2 1 345.491 1.145 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000365257718 446107938 /nfs/dbraw/zinc/10/79/38/446107938.db2.gz JJEFUZQDUIQQOM-INIZCTEOSA-N 2 1 349.523 1.081 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000365257718 446107945 /nfs/dbraw/zinc/10/79/45/446107945.db2.gz JJEFUZQDUIQQOM-INIZCTEOSA-N 2 1 349.523 1.081 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000359278861 446114699 /nfs/dbraw/zinc/11/46/99/446114699.db2.gz UAFSSMUXLSZWIB-QQFBHYJXSA-N 2 1 340.512 1.070 20 0 EDADMP CCOC(=O)c1coc(CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000354333242 446119790 /nfs/dbraw/zinc/11/97/90/446119790.db2.gz XOEWZNIDXOCLQV-ZDUSSCGKSA-N 2 1 337.420 1.133 20 0 EDADMP COCCSCCC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373247977 446122050 /nfs/dbraw/zinc/12/20/50/446122050.db2.gz VKGZWGJUPRGCNX-QGZVFWFLSA-N 2 1 329.554 1.856 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)N[C@@H]3CC[NH+](C4CC4)C3)CC2)CCO1 ZINC000359381103 446185638 /nfs/dbraw/zinc/18/56/38/446185638.db2.gz BKKZFGJJSNXAKW-LSDHHAIUSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@H]1C[NH+](C2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CCO1 ZINC000359381103 446185643 /nfs/dbraw/zinc/18/56/43/446185643.db2.gz BKKZFGJJSNXAKW-LSDHHAIUSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@H]1C[NH+](C2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)CCO1 ZINC000359381103 446185649 /nfs/dbraw/zinc/18/56/49/446185649.db2.gz BKKZFGJJSNXAKW-LSDHHAIUSA-N 2 1 336.480 1.118 20 0 EDADMP CCN1CCN(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000365336861 446154066 /nfs/dbraw/zinc/15/40/66/446154066.db2.gz ORFQKTLWFDHCKE-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000365336861 446154073 /nfs/dbraw/zinc/15/40/73/446154073.db2.gz ORFQKTLWFDHCKE-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000359338532 446158383 /nfs/dbraw/zinc/15/83/83/446158383.db2.gz BXVMFYAYPRBEKL-KZNAEPCWSA-N 2 1 337.508 1.963 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1[C@@H](C)CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000362307200 446314225 /nfs/dbraw/zinc/31/42/25/446314225.db2.gz YGDWWYHFKBTEKS-HOTGVXAUSA-N 2 1 340.512 1.115 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000362307200 446314228 /nfs/dbraw/zinc/31/42/28/446314228.db2.gz YGDWWYHFKBTEKS-HOTGVXAUSA-N 2 1 340.512 1.115 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000362307200 446314232 /nfs/dbraw/zinc/31/42/32/446314232.db2.gz YGDWWYHFKBTEKS-HOTGVXAUSA-N 2 1 340.512 1.115 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CCC[NH2+]C2)cc1F ZINC000417275309 446337008 /nfs/dbraw/zinc/33/70/08/446337008.db2.gz DRBWCTRSBVLQIP-CQSZACIVSA-N 2 1 331.395 1.871 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCC(OCCC[NH3+])CC1)C1CCCC1 ZINC000417511865 446358107 /nfs/dbraw/zinc/35/81/07/446358107.db2.gz WVGRJTWYNSVUHW-UHFFFAOYSA-N 2 1 326.485 1.400 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000417667722 446369194 /nfs/dbraw/zinc/36/91/94/446369194.db2.gz HJYNZUADLFSDCR-TWMKSMIVSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417929349 446388888 /nfs/dbraw/zinc/38/88/88/446388888.db2.gz IQURJLZSTVCZPY-KRWDZBQOSA-N 2 1 339.528 1.091 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000417986986 446408435 /nfs/dbraw/zinc/40/84/35/446408435.db2.gz HJZYSYQYEDQPGE-BMGDILEWSA-N 2 1 346.475 1.180 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCC[N@H+]1C ZINC000418013557 446416953 /nfs/dbraw/zinc/41/69/53/446416953.db2.gz ZJTSIEISXTVQTI-SISZQAHGSA-N 2 1 334.508 1.922 20 0 EDADMP OC(CN1CCCO[C@@H]2CCC[C@H]21)C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000366941034 446419449 /nfs/dbraw/zinc/41/94/49/446419449.db2.gz OEFAOAKDINKFDW-NCXUSEDFSA-N 2 1 338.492 1.634 20 0 EDADMP OC(C[NH+]1CCCO[C@@H]2CCC[C@H]21)C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000366941034 446419451 /nfs/dbraw/zinc/41/94/51/446419451.db2.gz OEFAOAKDINKFDW-NCXUSEDFSA-N 2 1 338.492 1.634 20 0 EDADMP OC(C[NH+]1CCCO[C@@H]2CCC[C@H]21)C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000366941034 446419452 /nfs/dbraw/zinc/41/94/52/446419452.db2.gz OEFAOAKDINKFDW-NCXUSEDFSA-N 2 1 338.492 1.634 20 0 EDADMP CCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420295208 446457462 /nfs/dbraw/zinc/45/74/62/446457462.db2.gz BWSFDHBEBKZJSF-DLBZAZTESA-N 2 1 333.476 1.976 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418229144 446467128 /nfs/dbraw/zinc/46/71/28/446467128.db2.gz CGNNOQDLYBCJBO-KLAILNCOSA-N 2 1 339.528 1.231 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000418229144 446467134 /nfs/dbraw/zinc/46/71/34/446467134.db2.gz CGNNOQDLYBCJBO-KLAILNCOSA-N 2 1 339.528 1.231 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000418229144 446467137 /nfs/dbraw/zinc/46/71/37/446467137.db2.gz CGNNOQDLYBCJBO-KLAILNCOSA-N 2 1 339.528 1.231 20 0 EDADMP CNC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000367030697 446475495 /nfs/dbraw/zinc/47/54/95/446475495.db2.gz RRNLQSJOQFCYAK-LPHOPBHVSA-N 2 1 344.503 1.504 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000367030697 446475503 /nfs/dbraw/zinc/47/55/03/446475503.db2.gz RRNLQSJOQFCYAK-LPHOPBHVSA-N 2 1 344.503 1.504 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420311339 446475767 /nfs/dbraw/zinc/47/57/67/446475767.db2.gz QXRUMDXOFNKYEP-GDBMZVCRSA-N 2 1 325.478 1.117 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420311339 446475774 /nfs/dbraw/zinc/47/57/74/446475774.db2.gz QXRUMDXOFNKYEP-GDBMZVCRSA-N 2 1 325.478 1.117 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC[NH2+]C1 ZINC000423301744 446480461 /nfs/dbraw/zinc/48/04/61/446480461.db2.gz GFMSZFHYLZJBDN-NVXWUHKLSA-N 2 1 339.867 1.685 20 0 EDADMP C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420319931 446485263 /nfs/dbraw/zinc/48/52/63/446485263.db2.gz BAERTEGNGQVRSX-RDJZCZTQSA-N 2 1 331.460 1.379 20 0 EDADMP C[C@@H](C(=O)NCc1ccccc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420319931 446485269 /nfs/dbraw/zinc/48/52/69/446485269.db2.gz BAERTEGNGQVRSX-RDJZCZTQSA-N 2 1 331.460 1.379 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000420320404 446486482 /nfs/dbraw/zinc/48/64/82/446486482.db2.gz QDFOGUZOPJUZIA-IPYPFGDCSA-N 2 1 333.432 1.147 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000420320404 446486493 /nfs/dbraw/zinc/48/64/93/446486493.db2.gz QDFOGUZOPJUZIA-IPYPFGDCSA-N 2 1 333.432 1.147 20 0 EDADMP CS(=O)(=O)N(CC[N@H+]1CCC[C@H](CC[NH3+])C1)Cc1ccccc1 ZINC000420320622 446485006 /nfs/dbraw/zinc/48/50/06/446485006.db2.gz YUADDTNAFWSWJI-QGZVFWFLSA-N 2 1 339.505 1.509 20 0 EDADMP Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1F ZINC000420327154 446495250 /nfs/dbraw/zinc/49/52/50/446495250.db2.gz KRYGVKBHBHBBGW-MRXNPFEDSA-N 2 1 349.450 1.438 20 0 EDADMP Cc1ccc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1F ZINC000420327154 446495259 /nfs/dbraw/zinc/49/52/59/446495259.db2.gz KRYGVKBHBHBBGW-MRXNPFEDSA-N 2 1 349.450 1.438 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])C3CCC3)c2)CCO1 ZINC000423364012 446501214 /nfs/dbraw/zinc/50/12/14/446501214.db2.gz OOQQAPIXDWWHCP-RDTXWAMCSA-N 2 1 331.460 1.651 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])C3CCC3)c2)CCO1 ZINC000423364012 446501216 /nfs/dbraw/zinc/50/12/16/446501216.db2.gz OOQQAPIXDWWHCP-RDTXWAMCSA-N 2 1 331.460 1.651 20 0 EDADMP CN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418336937 446505495 /nfs/dbraw/zinc/50/54/95/446505495.db2.gz INKUUVWRTLLVOD-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3cn(CCC[NH3+])nn3)c2C1 ZINC000423374324 446506372 /nfs/dbraw/zinc/50/63/72/446506372.db2.gz IGZXHLFMDOCYFZ-UHFFFAOYSA-N 2 1 328.420 1.605 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)c3cn(CCC[NH3+])nn3)c2C1 ZINC000423374324 446506379 /nfs/dbraw/zinc/50/63/79/446506379.db2.gz IGZXHLFMDOCYFZ-UHFFFAOYSA-N 2 1 328.420 1.605 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418358155 446513699 /nfs/dbraw/zinc/51/36/99/446513699.db2.gz DLVVSVJBSNKWOR-QGZVFWFLSA-N 2 1 341.544 1.419 20 0 EDADMP CN(CCCN(C)C(=O)N[C@H](C[NH3+])C1CCCCC1)CC[NH+](C)C ZINC000418358155 446513707 /nfs/dbraw/zinc/51/37/07/446513707.db2.gz DLVVSVJBSNKWOR-QGZVFWFLSA-N 2 1 341.544 1.419 20 0 EDADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328832 446496754 /nfs/dbraw/zinc/49/67/54/446496754.db2.gz NBSGFHZBXDSUGH-WMZOPIPTSA-N 2 1 345.487 1.893 20 0 EDADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328832 446496761 /nfs/dbraw/zinc/49/67/61/446496761.db2.gz NBSGFHZBXDSUGH-WMZOPIPTSA-N 2 1 345.487 1.893 20 0 EDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCN(Cc1ccccc1)S(C)(=O)=O ZINC000420328409 446497518 /nfs/dbraw/zinc/49/75/18/446497518.db2.gz ZIRCTZSWIBZJPY-INIZCTEOSA-N 2 1 327.494 1.411 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C(=O)OC ZINC000420330520 446499020 /nfs/dbraw/zinc/49/90/20/446499020.db2.gz QASXSUZIMAHPIK-HWMZRRJGSA-N 2 1 339.480 1.012 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)C[C@H]1CC ZINC000418327624 446499905 /nfs/dbraw/zinc/49/99/05/446499905.db2.gz ZHRKCPGZXAUDNY-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000367545192 446560804 /nfs/dbraw/zinc/56/08/04/446560804.db2.gz SYUZOVPLSODILC-DLBZAZTESA-N 2 1 325.497 1.674 20 0 EDADMP COC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000367545192 446560811 /nfs/dbraw/zinc/56/08/11/446560811.db2.gz SYUZOVPLSODILC-DLBZAZTESA-N 2 1 325.497 1.674 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420388765 446562847 /nfs/dbraw/zinc/56/28/47/446562847.db2.gz MOKIOQGQNPKUJL-ZACQAIPSSA-N 2 1 335.492 1.478 20 0 EDADMP Cn1cc[nH+]c1N1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433364561 446563498 /nfs/dbraw/zinc/56/34/98/446563498.db2.gz NNTIICZIYBDXFF-UHFFFAOYSA-N 2 1 327.432 1.444 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000420389788 446564526 /nfs/dbraw/zinc/56/45/26/446564526.db2.gz YUEGOPITJDUOGA-YCPHGPKFSA-N 2 1 349.475 1.625 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000420389788 446564529 /nfs/dbraw/zinc/56/45/29/446564529.db2.gz YUEGOPITJDUOGA-YCPHGPKFSA-N 2 1 349.475 1.625 20 0 EDADMP O=C(N[C@@H]1CCC[NH2+]C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418376320 446519703 /nfs/dbraw/zinc/51/97/03/446519703.db2.gz GBLAARUFBLFLGP-CEXWTWQISA-N 2 1 342.487 1.902 20 0 EDADMP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC000420347026 446522136 /nfs/dbraw/zinc/52/21/36/446522136.db2.gz FLSSBYHASWHJNU-NSHDSACASA-N 2 1 334.411 1.950 20 0 EDADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC000420347026 446522140 /nfs/dbraw/zinc/52/21/40/446522140.db2.gz FLSSBYHASWHJNU-NSHDSACASA-N 2 1 334.411 1.950 20 0 EDADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000420350754 446529540 /nfs/dbraw/zinc/52/95/40/446529540.db2.gz USVJCUFMDBWMGE-ZCYBBYNQSA-N 2 1 346.519 1.051 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000420350754 446529545 /nfs/dbraw/zinc/52/95/45/446529545.db2.gz USVJCUFMDBWMGE-ZCYBBYNQSA-N 2 1 346.519 1.051 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000418421804 446538394 /nfs/dbraw/zinc/53/83/94/446538394.db2.gz CXPCNPFDFCRBGG-QZTJIDSGSA-N 2 1 348.491 1.829 20 0 EDADMP COC(=O)c1ccc(N2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)[C@H](C)C2)cc1 ZINC000420357976 446538547 /nfs/dbraw/zinc/53/85/47/446538547.db2.gz IJXPECDPUCXDPA-CVEARBPZSA-N 2 1 331.460 1.983 20 0 EDADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)s1 ZINC000420367809 446546522 /nfs/dbraw/zinc/54/65/22/446546522.db2.gz ACKOZGSMQUPYSH-LBPRGKRZSA-N 2 1 335.433 1.422 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)s1 ZINC000420367809 446546527 /nfs/dbraw/zinc/54/65/27/446546527.db2.gz ACKOZGSMQUPYSH-LBPRGKRZSA-N 2 1 335.433 1.422 20 0 EDADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000453126524 446547092 /nfs/dbraw/zinc/54/70/92/446547092.db2.gz PDDVFPOMDMCEBV-POAQFYNOSA-N 2 1 340.471 1.880 20 0 EDADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000453126524 446547099 /nfs/dbraw/zinc/54/70/99/446547099.db2.gz PDDVFPOMDMCEBV-POAQFYNOSA-N 2 1 340.471 1.880 20 0 EDADMP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C1CC1 ZINC000420370335 446549704 /nfs/dbraw/zinc/54/97/04/446549704.db2.gz COXHANQVBQSCNR-CXAGYDPISA-N 2 1 346.479 1.163 20 0 EDADMP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C1CC1 ZINC000420370335 446549710 /nfs/dbraw/zinc/54/97/10/446549710.db2.gz COXHANQVBQSCNR-CXAGYDPISA-N 2 1 346.479 1.163 20 0 EDADMP CCC[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418464167 446553656 /nfs/dbraw/zinc/55/36/56/446553656.db2.gz AORLXVMFCLJVSO-MSOLQXFVSA-N 2 1 348.491 1.168 20 0 EDADMP C[C@@H](c1ccc(S(=O)(=O)N(C)C)cc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423503397 446557061 /nfs/dbraw/zinc/55/70/61/446557061.db2.gz DRPWJJDFKDEWFK-JKIFEVAISA-N 2 1 339.505 1.915 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000420381910 446557351 /nfs/dbraw/zinc/55/73/51/446557351.db2.gz CXFHQWRSEWKIKD-AEFFLSMTSA-N 3 1 336.524 1.439 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000420381910 446557353 /nfs/dbraw/zinc/55/73/53/446557353.db2.gz CXFHQWRSEWKIKD-AEFFLSMTSA-N 3 1 336.524 1.439 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)C1 ZINC000376550982 446569537 /nfs/dbraw/zinc/56/95/37/446569537.db2.gz IIEMEOQIEAPESW-RTBURBONSA-N 2 1 339.524 1.266 20 0 EDADMP CC[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)C1 ZINC000376550982 446569540 /nfs/dbraw/zinc/56/95/40/446569540.db2.gz IIEMEOQIEAPESW-RTBURBONSA-N 2 1 339.524 1.266 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N(C)CCOc2ccccc2F)C[C@H]1C[NH3+] ZINC000420406286 446579600 /nfs/dbraw/zinc/57/96/00/446579600.db2.gz NMGWKURHNGDSPN-HUUCEWRRSA-N 2 1 337.439 1.580 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCOc2ccccc2F)C[C@H]1C[NH3+] ZINC000420406286 446579607 /nfs/dbraw/zinc/57/96/07/446579607.db2.gz NMGWKURHNGDSPN-HUUCEWRRSA-N 2 1 337.439 1.580 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H]1CC ZINC000418558355 446593549 /nfs/dbraw/zinc/59/35/49/446593549.db2.gz XKFDLXCASPRDIG-AEFFLSMTSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000418585641 446603666 /nfs/dbraw/zinc/60/36/66/446603666.db2.gz DNTZAVOIUPQYBQ-BPQIPLTHSA-N 2 1 330.476 1.553 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000418585641 446603668 /nfs/dbraw/zinc/60/36/68/446603668.db2.gz DNTZAVOIUPQYBQ-BPQIPLTHSA-N 2 1 330.476 1.553 20 0 EDADMP CC1=CC[N@H+](CCNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000433880508 446604556 /nfs/dbraw/zinc/60/45/56/446604556.db2.gz APFLOWQVPDUJJJ-UHFFFAOYSA-N 2 1 337.489 1.679 20 0 EDADMP CC1=CC[N@@H+](CCNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000433880508 446604563 /nfs/dbraw/zinc/60/45/63/446604563.db2.gz APFLOWQVPDUJJJ-UHFFFAOYSA-N 2 1 337.489 1.679 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC[N@H+]1CCOC ZINC000418594390 446606456 /nfs/dbraw/zinc/60/64/56/446606456.db2.gz NFRNLVJDHGYQTB-OAGGEKHMSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418600118 446609905 /nfs/dbraw/zinc/60/99/05/446609905.db2.gz KIWDBTUFPDSIIZ-KBAYOESNSA-N 2 1 348.491 1.167 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000418659588 446639326 /nfs/dbraw/zinc/63/93/26/446639326.db2.gz XOHDQWINGLQWDI-RLFYNMQTSA-N 2 1 348.491 1.345 20 0 EDADMP CC1(C)CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000418672556 446643828 /nfs/dbraw/zinc/64/38/28/446643828.db2.gz NQJFQKRLKRHCTM-FVQHAEBGSA-N 2 1 328.460 1.510 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@H](C)C1 ZINC000418674534 446643859 /nfs/dbraw/zinc/64/38/59/446643859.db2.gz OTBBKORAIPTKQW-SOLBZPMBSA-N 2 1 348.491 1.563 20 0 EDADMP C[C@@H](NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000418703170 446654949 /nfs/dbraw/zinc/65/49/49/446654949.db2.gz HHRNIYCAXZNDAC-XUWVNRHRSA-N 2 1 340.512 1.643 20 0 EDADMP CCOC(=O)C(C)(C)CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000376708868 446666212 /nfs/dbraw/zinc/66/62/12/446666212.db2.gz BQTOFMKSWIDXDB-AWEZNQCLSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)C(C)(C)CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376708868 446666218 /nfs/dbraw/zinc/66/62/18/446666218.db2.gz BQTOFMKSWIDXDB-AWEZNQCLSA-N 2 1 339.480 1.251 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000418630116 446623193 /nfs/dbraw/zinc/62/31/93/446623193.db2.gz RNJJIKKWEIRBIA-HNNXBMFYSA-N 2 1 328.501 1.374 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418650958 446633539 /nfs/dbraw/zinc/63/35/39/446633539.db2.gz XJJUQJWWMWKZBA-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000423768066 446694390 /nfs/dbraw/zinc/69/43/90/446694390.db2.gz ZRWPUAIPDVMIFG-RTBURBONSA-N 2 1 344.503 1.185 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)[C@@H]1c1ccc(Cl)cc1 ZINC000423822488 446711705 /nfs/dbraw/zinc/71/17/05/446711705.db2.gz ISAFXMCQZHNDQB-ZOBUZTSGSA-N 2 1 337.851 1.580 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)[C@@H]1c1ccc(Cl)cc1 ZINC000423822488 446711711 /nfs/dbraw/zinc/71/17/11/446711711.db2.gz ISAFXMCQZHNDQB-ZOBUZTSGSA-N 2 1 337.851 1.580 20 0 EDADMP CC[C@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000423827832 446717797 /nfs/dbraw/zinc/71/77/97/446717797.db2.gz QJXLDXDMQBMORW-SFHVURJKSA-N 2 1 345.487 1.865 20 0 EDADMP COCC[C@]1(C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]C1 ZINC000376791888 446721833 /nfs/dbraw/zinc/72/18/33/446721833.db2.gz QFQWEDQWVRVKJF-HXUWFJFHSA-N 2 1 345.487 1.390 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000423834441 446722782 /nfs/dbraw/zinc/72/27/82/446722782.db2.gz ULJTYEPTWWSVRG-KKXDTOCCSA-N 2 1 331.460 1.945 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000368235310 446727231 /nfs/dbraw/zinc/72/72/31/446727231.db2.gz HQWCTDZRIKEMQJ-YOEHRIQHSA-N 2 1 329.460 1.114 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000368235310 446727240 /nfs/dbraw/zinc/72/72/40/446727240.db2.gz HQWCTDZRIKEMQJ-YOEHRIQHSA-N 2 1 329.460 1.114 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@H](C)C2CC[NH2+]CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000423888972 446745684 /nfs/dbraw/zinc/74/56/84/446745684.db2.gz ZLOHCEAFESDJOG-JZXOWHBKSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371294609 446749959 /nfs/dbraw/zinc/74/99/59/446749959.db2.gz LWRBRYANNUUKLN-ONCXSQPRSA-N 2 1 348.487 1.918 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCN1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000375390619 446766481 /nfs/dbraw/zinc/76/64/81/446766481.db2.gz HQJCXSUNNKGUIP-IAGOWNOFSA-N 2 1 343.537 1.102 20 0 EDADMP COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)[nH]1 ZINC000376869955 446766679 /nfs/dbraw/zinc/76/66/79/446766679.db2.gz NDFSXIXQJNRDFZ-OAHLLOKOSA-N 2 1 343.431 1.967 20 0 EDADMP [NH3+]CC1(C(=O)NC[C@H]2CCC[N@H+]2CCc2ccccc2)CCOCC1 ZINC000375398900 446773281 /nfs/dbraw/zinc/77/32/81/446773281.db2.gz BAMIRNYCIJSCKB-GOSISDBHSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000423992147 446812442 /nfs/dbraw/zinc/81/24/42/446812442.db2.gz FWPOICRISVJRNT-VQIMIIECSA-N 2 1 344.503 1.491 20 0 EDADMP C[C@@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000424018696 446825328 /nfs/dbraw/zinc/82/53/28/446825328.db2.gz QNRZBDGOZGXINR-IEBWSBKVSA-N 2 1 344.503 1.248 20 0 EDADMP CC[C@@]1(C(=O)N(C)C2CC[NH+](Cc3cc(C)no3)CC2)CCC[NH2+]1 ZINC000368393362 446834994 /nfs/dbraw/zinc/83/49/94/446834994.db2.gz JVJBRQJWGBDWND-SFHVURJKSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@]1(C)C[NH3+] ZINC000423975862 446804114 /nfs/dbraw/zinc/80/41/14/446804114.db2.gz NJTHCSCLNZHJEV-IMFGXOCKSA-N 2 1 345.487 1.721 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@]1(C)C[NH3+] ZINC000423975862 446804115 /nfs/dbraw/zinc/80/41/15/446804115.db2.gz NJTHCSCLNZHJEV-IMFGXOCKSA-N 2 1 345.487 1.721 20 0 EDADMP Cc1ccc(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)c(OCC[NH+](C)C)c1 ZINC000368455415 446873146 /nfs/dbraw/zinc/87/31/46/446873146.db2.gz PSYUGMBTLQADEQ-GOSISDBHSA-N 2 1 349.475 1.983 20 0 EDADMP Cc1ccc(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)c(OCC[NH+](C)C)c1 ZINC000368455415 446873153 /nfs/dbraw/zinc/87/31/53/446873153.db2.gz PSYUGMBTLQADEQ-GOSISDBHSA-N 2 1 349.475 1.983 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419079541 446910180 /nfs/dbraw/zinc/91/01/80/446910180.db2.gz NDOZWFOSGNNELO-OAGGEKHMSA-N 2 1 338.496 1.001 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000412248145 446910736 /nfs/dbraw/zinc/91/07/36/446910736.db2.gz LQCQLIRNZXJOPI-KRWDZBQOSA-N 2 1 337.533 1.972 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000368574410 446951389 /nfs/dbraw/zinc/95/13/89/446951389.db2.gz BBYISYLETMWAHU-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442771006 446961370 /nfs/dbraw/zinc/96/13/70/446961370.db2.gz SJBABFXMGZZHCP-DZGCQCFKSA-N 2 1 335.448 1.032 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442771006 446961374 /nfs/dbraw/zinc/96/13/74/446961374.db2.gz SJBABFXMGZZHCP-DZGCQCFKSA-N 2 1 335.448 1.032 20 0 EDADMP CO[C@@H](CC(C)C)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000419199660 447006158 /nfs/dbraw/zinc/00/61/58/447006158.db2.gz FANSRCRSVDCFSN-RBUKOAKNSA-N 2 1 341.540 1.774 20 0 EDADMP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000419215357 447013876 /nfs/dbraw/zinc/01/38/76/447013876.db2.gz OHOJTLBPUJNFIP-CABCVRRESA-N 2 1 346.475 1.141 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000372146598 447018351 /nfs/dbraw/zinc/01/83/51/447018351.db2.gz NJJJUJUMMSUXMP-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP Cc1nc(CNC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c2n1CCCC2 ZINC000371982646 446980499 /nfs/dbraw/zinc/98/04/99/446980499.db2.gz CBPJPWWDTNKAQG-UONOGXRCSA-N 2 1 349.479 1.124 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000419171781 446987992 /nfs/dbraw/zinc/98/79/92/446987992.db2.gz PPOUCBIWUSOKOQ-OAHLLOKOSA-N 2 1 340.512 1.391 20 0 EDADMP CCOC1CC(C[NH+]2CCN(C[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000375710850 446992068 /nfs/dbraw/zinc/99/20/68/446992068.db2.gz NIMAHEXNWGZOGV-DAWZGUTISA-N 2 1 325.497 1.140 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000372098477 446999974 /nfs/dbraw/zinc/99/99/74/446999974.db2.gz KEBYWVLSKRFVJT-MBNYWOFBSA-N 2 1 327.519 1.938 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058185 447000026 /nfs/dbraw/zinc/00/00/26/447000026.db2.gz JRNXXXQNQBGKFC-INIZCTEOSA-N 2 1 349.475 1.641 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000368700730 447051065 /nfs/dbraw/zinc/05/10/65/447051065.db2.gz BEYLJOAZPRUTOO-BZUAXINKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368700730 447051071 /nfs/dbraw/zinc/05/10/71/447051071.db2.gz BEYLJOAZPRUTOO-BZUAXINKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368700730 447051076 /nfs/dbraw/zinc/05/10/76/447051076.db2.gz BEYLJOAZPRUTOO-BZUAXINKSA-N 2 1 338.496 1.100 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)c1cc(N2CC[C@H]([C@@H](C)O)C2)ncn1 ZINC000413210867 447070435 /nfs/dbraw/zinc/07/04/35/447070435.db2.gz WMWBDJHZWQTFKL-ZBFHGGJFSA-N 2 1 344.463 1.715 20 0 EDADMP CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000421382651 447145102 /nfs/dbraw/zinc/14/51/02/447145102.db2.gz BWSTYBLMSUPKGI-GOSISDBHSA-N 2 1 344.503 1.927 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)[NH+](C)C ZINC000455435353 447129773 /nfs/dbraw/zinc/12/97/73/447129773.db2.gz SBQUJMAPEDKUIN-RYQLBKOJSA-N 2 1 330.476 1.710 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000377536794 447188180 /nfs/dbraw/zinc/18/81/80/447188180.db2.gz WYZSGTNYQUEABA-IAGOWNOFSA-N 2 1 347.459 1.295 20 0 EDADMP CSC1(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)CC1 ZINC000377543536 447192471 /nfs/dbraw/zinc/19/24/71/447192471.db2.gz RFOJPHYYGVVFRV-INIZCTEOSA-N 2 1 327.538 1.609 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419482615 447215108 /nfs/dbraw/zinc/21/51/08/447215108.db2.gz QNLHUNZSUKKEED-HNNXBMFYSA-N 2 1 340.512 1.201 20 0 EDADMP O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000377575664 447215388 /nfs/dbraw/zinc/21/53/88/447215388.db2.gz RHRNDLWYZPGCDQ-MRXNPFEDSA-N 2 1 338.496 1.415 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)=O)o1 ZINC000446089538 447231797 /nfs/dbraw/zinc/23/17/97/447231797.db2.gz JERNSSLENIINFC-HNNXBMFYSA-N 2 1 335.448 1.970 20 0 EDADMP C[N@H+](Cc1cnn2ccccc12)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633036 447259094 /nfs/dbraw/zinc/25/90/94/447259094.db2.gz UJUGXHGDODFERG-SFHVURJKSA-N 2 1 327.476 1.935 20 0 EDADMP C[N@@H+](Cc1cnn2ccccc12)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633036 447259099 /nfs/dbraw/zinc/25/90/99/447259099.db2.gz UJUGXHGDODFERG-SFHVURJKSA-N 2 1 327.476 1.935 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000458726269 447464160 /nfs/dbraw/zinc/46/41/60/447464160.db2.gz KWUXPLQSFKATEM-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000458726269 447464164 /nfs/dbraw/zinc/46/41/64/447464164.db2.gz KWUXPLQSFKATEM-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000458726269 447464170 /nfs/dbraw/zinc/46/41/70/447464170.db2.gz KWUXPLQSFKATEM-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CCN(C(=O)C(=O)NCC[NH2+]C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000419897539 447476438 /nfs/dbraw/zinc/47/64/38/447476438.db2.gz OLHNHMYCVGPWDZ-DOTOQJQBSA-N 2 1 346.475 1.006 20 0 EDADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NCC[NH+]2CCCOCC2)C[C@@H](C)C1 ZINC000458840052 447488045 /nfs/dbraw/zinc/48/80/45/447488045.db2.gz JIBNBVINCULDHR-GVDBMIGSSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C[C@@H](C)C1 ZINC000458840052 447488050 /nfs/dbraw/zinc/48/80/50/447488050.db2.gz JIBNBVINCULDHR-GVDBMIGSSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NCC[N@H+]2CCCOCC2)C[C@@H](C)C1 ZINC000458840052 447488057 /nfs/dbraw/zinc/48/80/57/447488057.db2.gz JIBNBVINCULDHR-GVDBMIGSSA-N 2 1 338.496 1.080 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)c2C1 ZINC000415524657 447495644 /nfs/dbraw/zinc/49/56/44/447495644.db2.gz OMNOCSHWSOEVAQ-KBPBESRZSA-N 2 1 344.459 1.546 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)c2C1 ZINC000415524657 447495649 /nfs/dbraw/zinc/49/56/49/447495649.db2.gz OMNOCSHWSOEVAQ-KBPBESRZSA-N 2 1 344.459 1.546 20 0 EDADMP CC(C)[NH+](CCNC(=O)NC[C@H]1CCC[N@H+]1CCCO)C(C)C ZINC000457424229 447577963 /nfs/dbraw/zinc/57/79/63/447577963.db2.gz OQMWENTWBQNFNA-MRXNPFEDSA-N 2 1 328.501 1.251 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416210144 447539333 /nfs/dbraw/zinc/53/93/33/447539333.db2.gz OMVKUHRKLPCYDT-PKOBYXMFSA-N 2 1 346.519 1.822 20 0 EDADMP [NH3+]CC1(O)CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000397076398 447549874 /nfs/dbraw/zinc/54/98/74/447549874.db2.gz CZQKKSBCQXNSBJ-UHFFFAOYSA-N 2 1 326.824 1.787 20 0 EDADMP COCCCN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C1CC[NH+](C)CC1 ZINC000427755132 447643813 /nfs/dbraw/zinc/64/38/13/447643813.db2.gz FFYVZOGSUGZHBH-QGZVFWFLSA-N 2 1 341.496 1.055 20 0 EDADMP COCCCN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)C1CC[NH+](C)CC1 ZINC000427755132 447643817 /nfs/dbraw/zinc/64/38/17/447643817.db2.gz FFYVZOGSUGZHBH-QGZVFWFLSA-N 2 1 341.496 1.055 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000457755121 447625255 /nfs/dbraw/zinc/62/52/55/447625255.db2.gz XJELSZQQQNBPOO-MRXNPFEDSA-N 2 1 326.485 1.130 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000416917877 447708870 /nfs/dbraw/zinc/70/88/70/447708870.db2.gz JQGUUDXHFQWHNP-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)C1 ZINC000428430402 447700264 /nfs/dbraw/zinc/70/02/64/447700264.db2.gz MIWSBKLAWFYZAC-MRXNPFEDSA-N 2 1 325.497 1.820 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)C1 ZINC000428430402 447700268 /nfs/dbraw/zinc/70/02/68/447700268.db2.gz MIWSBKLAWFYZAC-MRXNPFEDSA-N 2 1 325.497 1.820 20 0 EDADMP O=c1ccc(Br)cn1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459573211 447709562 /nfs/dbraw/zinc/70/95/62/447709562.db2.gz RVRCWWDUGMUUKV-UHFFFAOYSA-N 2 1 340.265 1.827 20 0 EDADMP C[C@@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000422590307 447658539 /nfs/dbraw/zinc/65/85/39/447658539.db2.gz AQBLBAKRKRGQNM-INIZCTEOSA-N 2 1 342.487 1.971 20 0 EDADMP CCOC(=O)c1ncn(C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)c1N ZINC000459436584 447665508 /nfs/dbraw/zinc/66/55/08/447665508.db2.gz YLUSXMKKNAKUTM-AWEZNQCLSA-N 2 1 349.479 1.763 20 0 EDADMP COc1cc2[nH+]c(N3CC[C@@]4(CC[NH2+]C4)C3)nc(N)c2cc1OC ZINC000420225966 447677547 /nfs/dbraw/zinc/67/75/47/447677547.db2.gz FVDCTZSIYDRGBF-QGZVFWFLSA-N 2 1 329.404 1.419 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[NH+]1CCOCC1 ZINC000416936732 447715759 /nfs/dbraw/zinc/71/57/59/447715759.db2.gz IKYAWIJYTUAIRD-ULQDDVLXSA-N 2 1 340.512 1.408 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH+]1CCOCC1 ZINC000416938614 447715938 /nfs/dbraw/zinc/71/59/38/447715938.db2.gz LGRPKRBCELQION-HRCADAONSA-N 2 1 326.485 1.112 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000416940039 447717227 /nfs/dbraw/zinc/71/72/27/447717227.db2.gz OIMDEIVRINSTPW-HOTGVXAUSA-N 2 1 326.485 1.032 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000416941519 447718268 /nfs/dbraw/zinc/71/82/68/447718268.db2.gz AAFQBFLMWRKVTL-IKGGRYGDSA-N 2 1 339.528 1.075 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000417067756 447733323 /nfs/dbraw/zinc/73/33/23/447733323.db2.gz RSHZXIFKHDLBDZ-UHFFFAOYSA-N 2 1 333.480 2.223 20 0 EDADMP C[C@H](CCCC[NH3+])[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000422836946 447764527 /nfs/dbraw/zinc/76/45/27/447764527.db2.gz LBHIDGNJZHHSCU-OAHLLOKOSA-N 2 1 326.529 1.720 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000422973951 447785509 /nfs/dbraw/zinc/78/55/09/447785509.db2.gz CZNUMNMQQNYHPV-GBESFXJTSA-N 3 1 335.492 1.213 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000422973951 447785514 /nfs/dbraw/zinc/78/55/14/447785514.db2.gz CZNUMNMQQNYHPV-GBESFXJTSA-N 3 1 335.492 1.213 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]C2CCN(C(C)C)CC2)CC[NH2+]CC1 ZINC000422999689 447789744 /nfs/dbraw/zinc/78/97/44/447789744.db2.gz YFZHCGLLZMWPHV-OAHLLOKOSA-N 2 1 325.497 1.770 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000471635470 447806163 /nfs/dbraw/zinc/80/61/63/447806163.db2.gz KDDFKXUXTUSASG-DLBZAZTESA-N 2 1 334.464 1.309 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[N@H+]1C ZINC000569741159 447881511 /nfs/dbraw/zinc/88/15/11/447881511.db2.gz ZLEUIUKLCWSQGU-BMFZPTHFSA-N 2 1 325.522 1.803 20 0 EDADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000490270124 447891793 /nfs/dbraw/zinc/89/17/93/447891793.db2.gz IXALRHLXBPDCLZ-GVDBMIGSSA-N 2 1 340.512 1.347 20 0 EDADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000530513404 447903934 /nfs/dbraw/zinc/90/39/34/447903934.db2.gz VYVLPOBLJUGWJK-ZDUSSCGKSA-N 2 1 346.431 1.987 20 0 EDADMP Cn1ccnc1[C@H]1[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC(=O)N1C ZINC000552318117 447944296 /nfs/dbraw/zinc/94/42/96/447944296.db2.gz QJWVPMCOUVFVHQ-IMSKVBIZSA-N 2 1 345.491 1.402 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc4ccccn34)C2)CC1 ZINC000552325947 447944371 /nfs/dbraw/zinc/94/43/71/447944371.db2.gz DOUXTRGIJBDTTJ-QGZVFWFLSA-N 2 1 327.476 1.935 20 0 EDADMP O=C1O[C@]2(CN1C[NH+]1CCC([C@H]3CCCO3)CC1)C[NH+]1CCC2CC1 ZINC000496837149 447955895 /nfs/dbraw/zinc/95/58/95/447955895.db2.gz RNSNPNQVNMRWHP-MJGOQNOKSA-N 2 1 349.475 1.752 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)COc1ccc2ccccc2c1 ZINC000570161992 447956649 /nfs/dbraw/zinc/95/66/49/447956649.db2.gz CFFNIUUBLFFVRN-RTBURBONSA-N 2 1 344.455 1.626 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCC2=CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000570382555 447998147 /nfs/dbraw/zinc/99/81/47/447998147.db2.gz PAWKPXRSRAXVEA-YJBOKZPZSA-N 2 1 328.460 1.868 20 0 EDADMP OC[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000570403359 448004456 /nfs/dbraw/zinc/00/44/56/448004456.db2.gz SYBANDPBOLIQNO-HNNXBMFYSA-N 2 1 332.366 1.440 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NCC[N@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000531058204 448010828 /nfs/dbraw/zinc/01/08/28/448010828.db2.gz YJAMDTBJDJBUKO-QGZVFWFLSA-N 2 1 344.503 1.900 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@H]3CCC[NH2+]3)CC2)oc1C ZINC000576253887 448012204 /nfs/dbraw/zinc/01/22/04/448012204.db2.gz KOTRFKCFQOWVNN-MRXNPFEDSA-N 2 1 349.479 1.555 20 0 EDADMP C[N@@H+](C[C@@H](O)CNCc1ccccc1CN1CCCC1=O)C1CC1 ZINC000570274085 447974687 /nfs/dbraw/zinc/97/46/87/447974687.db2.gz WIYDATATHAOGEB-SFHVURJKSA-N 2 1 331.460 1.354 20 0 EDADMP CN(C[C@@H](O)C[NH2+]Cc1ccccc1CN1CCCC1=O)C1CC1 ZINC000570274085 447974691 /nfs/dbraw/zinc/97/46/91/447974691.db2.gz WIYDATATHAOGEB-SFHVURJKSA-N 2 1 331.460 1.354 20 0 EDADMP CN(C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC000496906861 448022679 /nfs/dbraw/zinc/02/26/79/448022679.db2.gz HPZCASUUKIDROY-DKUMPPAJSA-N 2 1 327.469 1.429 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496909257 448026681 /nfs/dbraw/zinc/02/66/81/448026681.db2.gz HGKJECKJNLJODZ-GDBMZVCRSA-N 2 1 341.496 1.678 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496909257 448026686 /nfs/dbraw/zinc/02/66/86/448026686.db2.gz HGKJECKJNLJODZ-GDBMZVCRSA-N 2 1 341.496 1.678 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CC1(CN2CCOCC2)CCCCC1)C1CC1 ZINC000576272007 448015119 /nfs/dbraw/zinc/01/51/19/448015119.db2.gz OCUQPKAGRRTVBQ-GOSISDBHSA-N 2 1 339.524 1.314 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(CN2CCOCC2)CCCCC1)C1CC1 ZINC000576272007 448015125 /nfs/dbraw/zinc/01/51/25/448015125.db2.gz OCUQPKAGRRTVBQ-GOSISDBHSA-N 2 1 339.524 1.314 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)[NH+](C)C1 ZINC000501768963 448097968 /nfs/dbraw/zinc/09/79/68/448097968.db2.gz FZPUZFPTSQCTQE-YHUYYLMFSA-N 2 1 326.485 1.076 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)[N@H+](C)C1 ZINC000501768963 448097971 /nfs/dbraw/zinc/09/79/71/448097971.db2.gz FZPUZFPTSQCTQE-YHUYYLMFSA-N 2 1 326.485 1.076 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)[N@@H+](C)C1 ZINC000501768963 448097974 /nfs/dbraw/zinc/09/79/74/448097974.db2.gz FZPUZFPTSQCTQE-YHUYYLMFSA-N 2 1 326.485 1.076 20 0 EDADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000571078033 448106943 /nfs/dbraw/zinc/10/69/43/448106943.db2.gz CGQDARRPMMUSLR-RKVPGOIHSA-N 2 1 331.460 1.522 20 0 EDADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000571078033 448106949 /nfs/dbraw/zinc/10/69/49/448106949.db2.gz CGQDARRPMMUSLR-RKVPGOIHSA-N 2 1 331.460 1.522 20 0 EDADMP CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](C)CC2)s1 ZINC000576724984 448127044 /nfs/dbraw/zinc/12/70/44/448127044.db2.gz TYUQZONURWYMTL-WDEREUQCSA-N 2 1 325.482 1.747 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000576758403 448132923 /nfs/dbraw/zinc/13/29/23/448132923.db2.gz PBALQPVUKXVOJW-HKUYNNGSSA-N 2 1 344.503 1.846 20 0 EDADMP C[NH+](C)C/C=C/C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000491882282 448143365 /nfs/dbraw/zinc/14/33/65/448143365.db2.gz INHVDEKNHKQDQW-NFBGWVBBSA-N 2 1 336.505 1.271 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)O1 ZINC000527550960 448271342 /nfs/dbraw/zinc/27/13/42/448271342.db2.gz YGHPEDXVGIQPJE-KBAYOESNSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)O1 ZINC000527550960 448271351 /nfs/dbraw/zinc/27/13/51/448271351.db2.gz YGHPEDXVGIQPJE-KBAYOESNSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000527550960 448271356 /nfs/dbraw/zinc/27/13/56/448271356.db2.gz YGHPEDXVGIQPJE-KBAYOESNSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000527550960 448271364 /nfs/dbraw/zinc/27/13/64/448271364.db2.gz YGHPEDXVGIQPJE-KBAYOESNSA-N 2 1 331.460 1.438 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000515113780 448260496 /nfs/dbraw/zinc/26/04/96/448260496.db2.gz DTRMUNFOFZSUTB-YLJYHZDGSA-N 2 1 347.503 1.860 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000515113780 448260506 /nfs/dbraw/zinc/26/05/06/448260506.db2.gz DTRMUNFOFZSUTB-YLJYHZDGSA-N 2 1 347.503 1.860 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000515113780 448260510 /nfs/dbraw/zinc/26/05/10/448260510.db2.gz DTRMUNFOFZSUTB-YLJYHZDGSA-N 2 1 347.503 1.860 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000515483326 448320064 /nfs/dbraw/zinc/32/00/64/448320064.db2.gz NBBBNKLFNINFST-NVXWUHKLSA-N 2 1 338.540 1.591 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000577392033 448285820 /nfs/dbraw/zinc/28/58/20/448285820.db2.gz IBXXIUSTMOJFLB-AEFFLSMTSA-N 2 1 346.475 1.365 20 0 EDADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COCc1cccs1 ZINC000572121059 448294018 /nfs/dbraw/zinc/29/40/18/448294018.db2.gz LHBQDWSWZUOISE-GJZGRUSLSA-N 2 1 328.478 1.062 20 0 EDADMP CN(C)c1nc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000577563658 448326534 /nfs/dbraw/zinc/32/65/34/448326534.db2.gz CZILNTGQJCOIPL-WMLDXEAASA-N 2 1 343.479 1.795 20 0 EDADMP CN(C)c1nc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000577563658 448326538 /nfs/dbraw/zinc/32/65/38/448326538.db2.gz CZILNTGQJCOIPL-WMLDXEAASA-N 2 1 343.479 1.795 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000533000714 448342252 /nfs/dbraw/zinc/34/22/52/448342252.db2.gz ANCYQMFPDUWHBL-UHFFFAOYSA-N 2 1 331.526 1.466 20 0 EDADMP O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577625477 448344927 /nfs/dbraw/zinc/34/49/27/448344927.db2.gz JYZHAFGPDAVBEE-GBESFXJTSA-N 2 1 343.471 1.488 20 0 EDADMP CCOC(=O)C1CCC(O)(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000582900098 448372939 /nfs/dbraw/zinc/37/29/39/448372939.db2.gz CNYAERJKEQGPIR-HJOIGYKYSA-N 2 1 326.481 1.792 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H](O)CSC)CC1 ZINC000572631472 448426850 /nfs/dbraw/zinc/42/68/50/448426850.db2.gz UCUVDZYJLKPMTI-GOSISDBHSA-N 2 1 337.533 1.638 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(CO)CCCC3)CC2)CC1 ZINC000577961715 448428235 /nfs/dbraw/zinc/42/82/35/448428235.db2.gz BCWHEABOQJDQPM-UHFFFAOYSA-N 2 1 337.508 1.604 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2F)CC12CCOCC2 ZINC000566245015 448429305 /nfs/dbraw/zinc/42/93/05/448429305.db2.gz HVCOZURKPROBDX-OAHLLOKOSA-N 2 1 335.423 1.129 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2F)CC12CCOCC2 ZINC000566245015 448429311 /nfs/dbraw/zinc/42/93/11/448429311.db2.gz HVCOZURKPROBDX-OAHLLOKOSA-N 2 1 335.423 1.129 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000578024232 448443084 /nfs/dbraw/zinc/44/30/84/448443084.db2.gz RHQDGNVETHUMRW-HKUYNNGSSA-N 2 1 344.503 1.261 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)[C@@H]1c1ccccc1 ZINC000516749715 448467110 /nfs/dbraw/zinc/46/71/10/448467110.db2.gz MAYJLHXQOCRWBH-IKGGRYGDSA-N 2 1 332.448 1.110 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584459134 448533657 /nfs/dbraw/zinc/53/36/57/448533657.db2.gz CGZCRCRGKLYUKW-NXHRZFHOSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584459134 448533663 /nfs/dbraw/zinc/53/36/63/448533663.db2.gz CGZCRCRGKLYUKW-NXHRZFHOSA-N 2 1 346.475 1.327 20 0 EDADMP O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000566627617 448526202 /nfs/dbraw/zinc/52/62/02/448526202.db2.gz GQKMKOFOLKMMAM-YESZJQIVSA-N 2 1 333.863 1.950 20 0 EDADMP CNC(=O)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Cc1ccc(F)cc1C ZINC000566855553 448572988 /nfs/dbraw/zinc/57/29/88/448572988.db2.gz SFLNCHGYAUNFGD-QILLFSRXSA-N 2 1 335.467 1.969 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000573119509 448549306 /nfs/dbraw/zinc/54/93/06/448549306.db2.gz ZKDFMIRFYFASBW-AEFFLSMTSA-N 2 1 334.439 1.454 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000573119509 448549308 /nfs/dbraw/zinc/54/93/08/448549308.db2.gz ZKDFMIRFYFASBW-AEFFLSMTSA-N 2 1 334.439 1.454 20 0 EDADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccnc(N)c3)CC2)C[C@H](C)O1 ZINC000566773271 448552984 /nfs/dbraw/zinc/55/29/84/448552984.db2.gz IIMXQDOXZPHXMH-HOTGVXAUSA-N 2 1 348.491 1.754 20 0 EDADMP Cn1ccnc1[C@@H](NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)C1CC1 ZINC000567099681 448612738 /nfs/dbraw/zinc/61/27/38/448612738.db2.gz WHVBVQHIQDABEY-XHSDSOJGSA-N 2 1 331.464 1.997 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000573275607 448585001 /nfs/dbraw/zinc/58/50/01/448585001.db2.gz VQCKNBYJPGXBPV-KSTDHSDQSA-N 2 1 336.480 1.751 20 0 EDADMP CS[C@H]1CN(c2nc(N)[nH+]c3c2CCCC3)C[C@@H]1[NH+]1CCCC1 ZINC000591931536 448587077 /nfs/dbraw/zinc/58/70/77/448587077.db2.gz DPDPTFUGAMGNFN-GJZGRUSLSA-N 2 1 333.505 1.954 20 0 EDADMP CC(=O)NCCCCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517651939 448601243 /nfs/dbraw/zinc/60/12/43/448601243.db2.gz TYLDVPLDZUYNNA-UHFFFAOYSA-N 2 1 347.463 1.468 20 0 EDADMP CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000578642561 448602129 /nfs/dbraw/zinc/60/21/29/448602129.db2.gz QOANNGOWCFEVMD-KSSFIOAISA-N 2 1 332.444 1.869 20 0 EDADMP COC(=O)CC[N@@H+](C[C@@H](C[NH3+])c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000573556168 448657471 /nfs/dbraw/zinc/65/74/71/448657471.db2.gz LBZCJFNURNOXPS-NVXWUHKLSA-N 2 1 338.423 1.912 20 0 EDADMP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000578881041 448661091 /nfs/dbraw/zinc/66/10/91/448661091.db2.gz OQXCZYYKMMZIQK-GOSISDBHSA-N 2 1 332.444 1.845 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000573583108 448665136 /nfs/dbraw/zinc/66/51/36/448665136.db2.gz JTNGSYLDNXPELI-HNNXBMFYSA-N 2 1 326.485 1.032 20 0 EDADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000518534278 448689400 /nfs/dbraw/zinc/68/94/00/448689400.db2.gz DSHVUNROMFNPNB-MSOLQXFVSA-N 2 1 336.476 1.480 20 0 EDADMP C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000579100543 448714193 /nfs/dbraw/zinc/71/41/93/448714193.db2.gz FFUYGJSVLCJSQB-QAPCUYQASA-N 2 1 337.508 1.745 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CCCC[NH3+])c2)C1 ZINC000579349620 448773966 /nfs/dbraw/zinc/77/39/66/448773966.db2.gz RGMGHQFZLUXWLF-QGZVFWFLSA-N 2 1 346.475 1.129 20 0 EDADMP C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000567889343 448778851 /nfs/dbraw/zinc/77/88/51/448778851.db2.gz OCRLPQKMLNKXKE-ZIAGYGMSSA-N 2 1 341.463 1.741 20 0 EDADMP C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000567889343 448778858 /nfs/dbraw/zinc/77/88/58/448778858.db2.gz OCRLPQKMLNKXKE-ZIAGYGMSSA-N 2 1 341.463 1.741 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000574058177 448783423 /nfs/dbraw/zinc/78/34/23/448783423.db2.gz HPIVALRBTDVLLZ-MAUKXSAKSA-N 2 1 346.475 1.111 20 0 EDADMP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000529372525 448846100 /nfs/dbraw/zinc/84/61/00/448846100.db2.gz CYTNFYATZFXLQT-ZWKOTPCHSA-N 2 1 346.475 1.281 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1CC[NH2+]CC1 ZINC000579691609 448854192 /nfs/dbraw/zinc/85/41/92/448854192.db2.gz UXJCTXBCDHRXMI-KRWDZBQOSA-N 2 1 339.528 1.044 20 0 EDADMP [NH3+]Cc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000574403571 448867445 /nfs/dbraw/zinc/86/74/45/448867445.db2.gz HCBKATKVKCBAMZ-LJQANCHMSA-N 2 1 339.439 1.663 20 0 EDADMP [NH3+]Cc1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000574403571 448867447 /nfs/dbraw/zinc/86/74/47/448867447.db2.gz HCBKATKVKCBAMZ-LJQANCHMSA-N 2 1 339.439 1.663 20 0 EDADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC[C@H]1[NH3+] ZINC000592487917 448858067 /nfs/dbraw/zinc/85/80/67/448858067.db2.gz BYJYCBNDRWBZSW-YSVLISHTSA-N 2 1 347.459 1.537 20 0 EDADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC[C@H]1[NH3+] ZINC000592487917 448858069 /nfs/dbraw/zinc/85/80/69/448858069.db2.gz BYJYCBNDRWBZSW-YSVLISHTSA-N 2 1 347.459 1.537 20 0 EDADMP CCn1nncc1CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000529561895 448896985 /nfs/dbraw/zinc/89/69/85/448896985.db2.gz WJYMSQMENHROGH-UHFFFAOYSA-N 2 1 348.495 1.111 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000592557938 448900188 /nfs/dbraw/zinc/90/01/88/448900188.db2.gz SLYSWZIKGAHVLH-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000574548843 448900904 /nfs/dbraw/zinc/90/09/04/448900904.db2.gz NCPQZYQCKRTIAE-UHFFFAOYSA-N 2 1 332.448 1.942 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592562399 448901762 /nfs/dbraw/zinc/90/17/62/448901762.db2.gz GYTLMABRBQZUGE-LSDHHAIUSA-N 2 1 333.480 1.569 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000574619941 448916804 /nfs/dbraw/zinc/91/68/04/448916804.db2.gz RDHMDWXODSVLPH-MRXNPFEDSA-N 2 1 346.475 1.581 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCc3ccccc3C2)CC12CCOCC2 ZINC000574811356 448962222 /nfs/dbraw/zinc/96/22/22/448962222.db2.gz JTCDPVTVGCSHKP-GOSISDBHSA-N 2 1 343.471 1.259 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccccc3C2)CC12CCOCC2 ZINC000574811356 448962226 /nfs/dbraw/zinc/96/22/26/448962226.db2.gz JTCDPVTVGCSHKP-GOSISDBHSA-N 2 1 343.471 1.259 20 0 EDADMP COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000582058585 449000422 /nfs/dbraw/zinc/00/04/22/449000422.db2.gz NQHDTBGMMVILTP-YOEHRIQHSA-N 2 1 348.443 1.453 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569337837 449005992 /nfs/dbraw/zinc/00/59/92/449005992.db2.gz WUBYHYIXMDRNNC-AYBZRNKSSA-N 2 1 333.476 1.910 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000582127568 449018777 /nfs/dbraw/zinc/01/87/77/449018777.db2.gz ZOHBTKXIYFJVTD-APWZRJJASA-N 2 1 348.491 1.799 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N(C)CC[N@H+](C)C1CC1)n2C ZINC000548441396 449046142 /nfs/dbraw/zinc/04/61/42/449046142.db2.gz ARANVKLBRXANJQ-UHFFFAOYSA-N 2 1 330.436 1.201 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N(C)CC[N@@H+](C)C1CC1)n2C ZINC000548441396 449046146 /nfs/dbraw/zinc/04/61/46/449046146.db2.gz ARANVKLBRXANJQ-UHFFFAOYSA-N 2 1 330.436 1.201 20 0 EDADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(=O)n(C)c(=O)n1C ZINC000589999497 449093756 /nfs/dbraw/zinc/09/37/56/449093756.db2.gz MPCLRZLDCKOBSQ-UHFFFAOYSA-N 2 1 344.459 1.168 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000590786576 449294719 /nfs/dbraw/zinc/29/47/19/449294719.db2.gz GJMYZQGPOPKDTI-HZPDHXFCSA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000611654724 449372949 /nfs/dbraw/zinc/37/29/49/449372949.db2.gz CIQOERLBJXMVEQ-UHFFFAOYSA-N 2 1 339.528 1.184 20 0 EDADMP C[NH+]1CCN(c2cccc(C(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)n2)CC1 ZINC000617010388 449428582 /nfs/dbraw/zinc/42/85/82/449428582.db2.gz OHLBKYBWNJZROV-OAHLLOKOSA-N 2 1 345.491 1.436 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000606360421 449453725 /nfs/dbraw/zinc/45/37/25/449453725.db2.gz PYRUQQHIDKBUSB-KSZLIROESA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000606360421 449453730 /nfs/dbraw/zinc/45/37/30/449453730.db2.gz PYRUQQHIDKBUSB-KSZLIROESA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000606360421 449453735 /nfs/dbraw/zinc/45/37/35/449453735.db2.gz PYRUQQHIDKBUSB-KSZLIROESA-N 2 1 336.524 1.488 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617113654 449465178 /nfs/dbraw/zinc/46/51/78/449465178.db2.gz PFVONDLHUIKPAE-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cc(CNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)n[nH]1 ZINC000606499577 449479442 /nfs/dbraw/zinc/47/94/42/449479442.db2.gz BJBYVOIXVZZBMZ-UHFFFAOYSA-N 2 1 334.468 1.076 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)n2C ZINC000617346067 449568374 /nfs/dbraw/zinc/56/83/74/449568374.db2.gz NKIUKXQBXZOBPQ-LBPRGKRZSA-N 2 1 344.463 1.637 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)n2C ZINC000617346067 449568382 /nfs/dbraw/zinc/56/83/82/449568382.db2.gz NKIUKXQBXZOBPQ-LBPRGKRZSA-N 2 1 344.463 1.637 20 0 EDADMP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)[nH]c1C ZINC000602438541 449586387 /nfs/dbraw/zinc/58/63/87/449586387.db2.gz CVDUQSOKPADVCL-UHFFFAOYSA-N 2 1 335.448 1.654 20 0 EDADMP CC[NH+](CC)CC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607390171 449608293 /nfs/dbraw/zinc/60/82/93/449608293.db2.gz AHEBXMRSRIOQGF-AEFFLSMTSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+](CC)CC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607390171 449608298 /nfs/dbraw/zinc/60/82/98/449608298.db2.gz AHEBXMRSRIOQGF-AEFFLSMTSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(-n2cncn2)cc1 ZINC000617504490 449649502 /nfs/dbraw/zinc/64/95/02/449649502.db2.gz YFBOADIDBBNYGA-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(-n2cncn2)cc1 ZINC000617504490 449649509 /nfs/dbraw/zinc/64/95/09/449649509.db2.gz YFBOADIDBBNYGA-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccnc(N2CCCC2)n1 ZINC000617505941 449654122 /nfs/dbraw/zinc/65/41/22/449654122.db2.gz VZXVHKCZHSOYCZ-HNNXBMFYSA-N 2 1 348.495 1.079 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccnc(N2CCCC2)n1 ZINC000617505941 449654127 /nfs/dbraw/zinc/65/41/27/449654127.db2.gz VZXVHKCZHSOYCZ-HNNXBMFYSA-N 2 1 348.495 1.079 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000614506812 449657236 /nfs/dbraw/zinc/65/72/36/449657236.db2.gz IYEVXASGZMLGGB-AEFFLSMTSA-N 2 1 334.508 1.147 20 0 EDADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000614506812 449657238 /nfs/dbraw/zinc/65/72/38/449657238.db2.gz IYEVXASGZMLGGB-AEFFLSMTSA-N 2 1 334.508 1.147 20 0 EDADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000614506812 449657239 /nfs/dbraw/zinc/65/72/39/449657239.db2.gz IYEVXASGZMLGGB-AEFFLSMTSA-N 2 1 334.508 1.147 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC000617507699 449659368 /nfs/dbraw/zinc/65/93/68/449659368.db2.gz GHVBKHFKZQJFGU-AWEZNQCLSA-N 2 1 346.479 1.417 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC000617507699 449659370 /nfs/dbraw/zinc/65/93/70/449659370.db2.gz GHVBKHFKZQJFGU-AWEZNQCLSA-N 2 1 346.479 1.417 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000608008436 449722369 /nfs/dbraw/zinc/72/23/69/449722369.db2.gz FHYITVIUZGNCEH-GOSISDBHSA-N 2 1 331.460 1.685 20 0 EDADMP C[C@@H]1C[N@H+](CCNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)CO1 ZINC000617726535 449783843 /nfs/dbraw/zinc/78/38/43/449783843.db2.gz YEJLZLUWZBGZHG-HZPDHXFCSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)CO1 ZINC000617726535 449783847 /nfs/dbraw/zinc/78/38/47/449783847.db2.gz YEJLZLUWZBGZHG-HZPDHXFCSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1C[NH+](CCNC(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)CO1 ZINC000617726535 449783851 /nfs/dbraw/zinc/78/38/51/449783851.db2.gz YEJLZLUWZBGZHG-HZPDHXFCSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1C[NH+](CCNC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)CO1 ZINC000617726535 449783853 /nfs/dbraw/zinc/78/38/53/449783853.db2.gz YEJLZLUWZBGZHG-HZPDHXFCSA-N 2 1 325.497 1.866 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000617698908 449743092 /nfs/dbraw/zinc/74/30/92/449743092.db2.gz AOEFHMRCHNKLJF-RTBURBONSA-N 2 1 345.487 1.744 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617698908 449743097 /nfs/dbraw/zinc/74/30/97/449743097.db2.gz AOEFHMRCHNKLJF-RTBURBONSA-N 2 1 345.487 1.744 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617698908 449743100 /nfs/dbraw/zinc/74/31/00/449743100.db2.gz AOEFHMRCHNKLJF-RTBURBONSA-N 2 1 345.487 1.744 20 0 EDADMP C[C@H](CCNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000617753501 449818020 /nfs/dbraw/zinc/81/80/20/449818020.db2.gz DQEMMJYEHFZXDQ-AEFFLSMTSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@H](CCNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000617753501 449818026 /nfs/dbraw/zinc/81/80/26/449818026.db2.gz DQEMMJYEHFZXDQ-AEFFLSMTSA-N 2 1 333.476 1.734 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000594875140 449790677 /nfs/dbraw/zinc/79/06/77/449790677.db2.gz XHYDSVMAAUTUMB-LSDHHAIUSA-N 2 1 341.377 1.882 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)c2cccc(CN3CCOCC3)c2)C1 ZINC000608615546 449887496 /nfs/dbraw/zinc/88/74/96/449887496.db2.gz URPGENKRQOMLAI-MRXNPFEDSA-N 2 1 331.460 1.590 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000599322772 449891959 /nfs/dbraw/zinc/89/19/59/449891959.db2.gz KMKDXRSBSPOYNN-GOSISDBHSA-N 2 1 331.460 1.619 20 0 EDADMP CN1CCCC[C@@H]1C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000599322772 449891964 /nfs/dbraw/zinc/89/19/64/449891964.db2.gz KMKDXRSBSPOYNN-GOSISDBHSA-N 2 1 331.460 1.619 20 0 EDADMP COC(=O)[C@]1(C)CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602844660 449852147 /nfs/dbraw/zinc/85/21/47/449852147.db2.gz DYBNYPWIHYAPHW-WOJBJXKFSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)[C@]1(C)CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602844660 449852149 /nfs/dbraw/zinc/85/21/49/449852149.db2.gz DYBNYPWIHYAPHW-WOJBJXKFSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)[C@]1(C)CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602844660 449852154 /nfs/dbraw/zinc/85/21/54/449852154.db2.gz DYBNYPWIHYAPHW-WOJBJXKFSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)[C@]1(C)CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602844660 449852160 /nfs/dbraw/zinc/85/21/60/449852160.db2.gz DYBNYPWIHYAPHW-WOJBJXKFSA-N 2 1 346.471 1.899 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000615089864 449951012 /nfs/dbraw/zinc/95/10/12/449951012.db2.gz OATIMCCCOKMYJA-HUUCEWRRSA-N 2 1 325.497 1.865 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)CC[N@H+]1C ZINC000601436938 449959178 /nfs/dbraw/zinc/95/91/78/449959178.db2.gz MTDALZJEXJRBLD-FZKCQIBNSA-N 2 1 325.522 1.755 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000612980526 449969491 /nfs/dbraw/zinc/96/94/91/449969491.db2.gz SGYYQMWJKMLARA-JKSUJKDBSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)NC(=O)NC(C)(C)C ZINC000603109450 450072637 /nfs/dbraw/zinc/07/26/37/450072637.db2.gz BHIDVGYGUZFFOK-UHFFFAOYSA-N 2 1 326.485 1.809 20 0 EDADMP CCn1cc(CNC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)nn1 ZINC000618150985 450028895 /nfs/dbraw/zinc/02/88/95/450028895.db2.gz IJOZFEMRSBFRMF-UHFFFAOYSA-N 2 1 348.495 1.111 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000615273787 450038756 /nfs/dbraw/zinc/03/87/56/450038756.db2.gz FUSOMQJKZZHLNC-MSOLQXFVSA-N 2 1 335.492 1.573 20 0 EDADMP CC(=O)c1nc(CC[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)[nH]c1C ZINC000595341333 450054600 /nfs/dbraw/zinc/05/46/00/450054600.db2.gz VTFQHJYBNOJAON-QGZVFWFLSA-N 2 1 347.507 1.564 20 0 EDADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000615309054 450056722 /nfs/dbraw/zinc/05/67/22/450056722.db2.gz PJILHKKDAMHOCQ-HHXXYDBFSA-N 2 1 331.460 1.174 20 0 EDADMP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000618354539 450170440 /nfs/dbraw/zinc/17/04/40/450170440.db2.gz CGNZWWKRBZBCLH-ZWKOTPCHSA-N 2 1 331.460 1.092 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000618354539 450170442 /nfs/dbraw/zinc/17/04/42/450170442.db2.gz CGNZWWKRBZBCLH-ZWKOTPCHSA-N 2 1 331.460 1.092 20 0 EDADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000618354539 450170448 /nfs/dbraw/zinc/17/04/48/450170448.db2.gz CGNZWWKRBZBCLH-ZWKOTPCHSA-N 2 1 331.460 1.092 20 0 EDADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000618354539 450170452 /nfs/dbraw/zinc/17/04/52/450170452.db2.gz CGNZWWKRBZBCLH-ZWKOTPCHSA-N 2 1 331.460 1.092 20 0 EDADMP O=c1ccccn1Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000619743601 450324572 /nfs/dbraw/zinc/32/45/72/450324572.db2.gz OLONPHQOPMQOPB-IBGZPJMESA-N 2 1 341.455 1.443 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3[C@H](C)O)CC2)CC1 ZINC000618925203 450342346 /nfs/dbraw/zinc/34/23/46/450342346.db2.gz GGPWZSCIPYPRQV-MAUKXSAKSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[N@@H+]1C ZINC000619968988 450387013 /nfs/dbraw/zinc/38/70/13/450387013.db2.gz PPGNPXRATWZQHL-MWDXBVQZSA-N 2 1 335.492 1.476 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[N@H+]1C ZINC000619968988 450387016 /nfs/dbraw/zinc/38/70/16/450387016.db2.gz PPGNPXRATWZQHL-MWDXBVQZSA-N 2 1 335.492 1.476 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC000616781863 450483554 /nfs/dbraw/zinc/48/35/54/450483554.db2.gz XXWKBVIDGFMJNJ-HZPDHXFCSA-N 2 1 340.512 1.210 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)CC1(C)C ZINC000623342467 450501326 /nfs/dbraw/zinc/50/13/26/450501326.db2.gz BIQHXRBHLPHLOD-AWEZNQCLSA-N 2 1 336.480 1.704 20 0 EDADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)ccc1OCC(N)=O ZINC000623380490 450509654 /nfs/dbraw/zinc/50/96/54/450509654.db2.gz AZJIXDVWZZSHPC-AWEZNQCLSA-N 2 1 335.448 1.522 20 0 EDADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1OCC(N)=O ZINC000623380490 450509657 /nfs/dbraw/zinc/50/96/57/450509657.db2.gz AZJIXDVWZZSHPC-AWEZNQCLSA-N 2 1 335.448 1.522 20 0 EDADMP CC[N@H+](CC(=O)Nc1cc(C)on1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061844 450565828 /nfs/dbraw/zinc/56/58/28/450565828.db2.gz WWPOZIDLTMUXTC-UHFFFAOYSA-N 2 1 330.432 2.505 20 0 EDADMP CC[N@@H+](CC(=O)Nc1cc(C)on1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061844 450565829 /nfs/dbraw/zinc/56/58/29/450565829.db2.gz WWPOZIDLTMUXTC-UHFFFAOYSA-N 2 1 330.432 2.505 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000623708249 450569197 /nfs/dbraw/zinc/56/91/97/450569197.db2.gz AQWQOSBIVPPGQG-INIZCTEOSA-N 2 1 340.537 1.741 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000623708249 450569198 /nfs/dbraw/zinc/56/91/98/450569198.db2.gz AQWQOSBIVPPGQG-INIZCTEOSA-N 2 1 340.537 1.741 20 0 EDADMP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000621014133 450573350 /nfs/dbraw/zinc/57/33/50/450573350.db2.gz IXBAINXWSMRWDG-ROUUACIJSA-N 2 1 328.460 1.928 20 0 EDADMP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000621014133 450573352 /nfs/dbraw/zinc/57/33/52/450573352.db2.gz IXBAINXWSMRWDG-ROUUACIJSA-N 2 1 328.460 1.928 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000621099705 450580616 /nfs/dbraw/zinc/58/06/16/450580616.db2.gz ZRWBNXBDJARPMV-MRXNPFEDSA-N 2 1 333.480 1.297 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C[C@@H]1C ZINC000633095502 450680783 /nfs/dbraw/zinc/68/07/83/450680783.db2.gz UMRBOCORMGQZKY-JYJNAYRXSA-N 2 1 338.496 1.048 20 0 EDADMP Nc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000624041919 450682307 /nfs/dbraw/zinc/68/23/07/450682307.db2.gz MOODHGHFHZHOBB-LSDHHAIUSA-N 2 1 339.447 1.188 20 0 EDADMP COc1ncc(Br)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000629524158 450724390 /nfs/dbraw/zinc/72/43/90/450724390.db2.gz MPGCHOQGGGQPJF-JIMOISOXSA-N 2 1 344.253 1.695 20 0 EDADMP CCO[C@H](C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CC1 ZINC000629542233 450726852 /nfs/dbraw/zinc/72/68/52/450726852.db2.gz CFGZJWGWYXFBTL-GVDBMIGSSA-N 2 1 336.480 1.022 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000629566980 450738604 /nfs/dbraw/zinc/73/86/04/450738604.db2.gz CJJYUYPRRARTSJ-ZDUSSCGKSA-N 2 1 325.478 1.903 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000629566980 450738610 /nfs/dbraw/zinc/73/86/10/450738610.db2.gz CJJYUYPRRARTSJ-ZDUSSCGKSA-N 2 1 325.478 1.903 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)Cc1cc(Br)cnc1OC ZINC000629572428 450742721 /nfs/dbraw/zinc/74/27/21/450742721.db2.gz SHXNRXBKEJDODU-UHFFFAOYSA-N 2 1 332.242 1.521 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Br)cnc1OC ZINC000629572428 450742726 /nfs/dbraw/zinc/74/27/26/450742726.db2.gz SHXNRXBKEJDODU-UHFFFAOYSA-N 2 1 332.242 1.521 20 0 EDADMP C[N@H+](CCOCC[NH3+])[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000629579630 450747236 /nfs/dbraw/zinc/74/72/36/450747236.db2.gz VNPXLTZISQGIAT-AWEZNQCLSA-N 2 1 345.365 1.718 20 0 EDADMP C[N@@H+](CCOCC[NH3+])[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000629579630 450747243 /nfs/dbraw/zinc/74/72/43/450747243.db2.gz VNPXLTZISQGIAT-AWEZNQCLSA-N 2 1 345.365 1.718 20 0 EDADMP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+](C)CCOCC[NH3+] ZINC000629580802 450748189 /nfs/dbraw/zinc/74/81/89/450748189.db2.gz ZHYCWDHTFGGLSE-AWEZNQCLSA-N 2 1 348.447 1.048 20 0 EDADMP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+](C)CCOCC[NH3+] ZINC000629580802 450748194 /nfs/dbraw/zinc/74/81/94/450748194.db2.gz ZHYCWDHTFGGLSE-AWEZNQCLSA-N 2 1 348.447 1.048 20 0 EDADMP COc1ccc([C@@H]2CC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000629588489 450751566 /nfs/dbraw/zinc/75/15/66/450751566.db2.gz IPIITROOQAHWST-OAHLLOKOSA-N 2 1 335.423 1.446 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCOCC[NH3+])CC1 ZINC000629662300 450774448 /nfs/dbraw/zinc/77/44/48/450774448.db2.gz DPTIRRONVIBDPL-UHFFFAOYSA-N 3 1 334.508 1.626 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624306424 450790224 /nfs/dbraw/zinc/79/02/24/450790224.db2.gz DGPSZKGUFZAQOI-NXOAAHMSSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624306424 450790229 /nfs/dbraw/zinc/79/02/29/450790229.db2.gz DGPSZKGUFZAQOI-NXOAAHMSSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624306424 450790234 /nfs/dbraw/zinc/79/02/34/450790234.db2.gz DGPSZKGUFZAQOI-NXOAAHMSSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624306424 450790239 /nfs/dbraw/zinc/79/02/39/450790239.db2.gz DGPSZKGUFZAQOI-NXOAAHMSSA-N 2 1 340.512 1.515 20 0 EDADMP O=C(CC[C@H]1CCC[NH2+]C1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000621653390 450817587 /nfs/dbraw/zinc/81/75/87/450817587.db2.gz XBIRJVOKIVMMKQ-GOSISDBHSA-N 2 1 344.503 1.705 20 0 EDADMP COc1cccc(-c2nc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)co2)c1 ZINC000631827406 450799929 /nfs/dbraw/zinc/79/99/29/450799929.db2.gz NSJAHAWXZYENCN-KRWDZBQOSA-N 2 1 342.443 1.830 20 0 EDADMP COc1cccc(-c2nc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)co2)c1 ZINC000631827406 450799934 /nfs/dbraw/zinc/79/99/34/450799934.db2.gz NSJAHAWXZYENCN-KRWDZBQOSA-N 2 1 342.443 1.830 20 0 EDADMP [NH3+][C@@]12CCC[C@@H]1CN(CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000621783034 450866863 /nfs/dbraw/zinc/86/68/63/450866863.db2.gz WHGQVKQRUDETSQ-UYAOXDASSA-N 2 1 342.487 1.144 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)C[C@H]21 ZINC000627651731 450868787 /nfs/dbraw/zinc/86/87/87/450868787.db2.gz BSBINONEVNRQPE-XDNAFOTISA-N 2 1 331.435 1.809 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)C[C@H]21 ZINC000627651731 450868792 /nfs/dbraw/zinc/86/87/92/450868792.db2.gz BSBINONEVNRQPE-XDNAFOTISA-N 2 1 331.435 1.809 20 0 EDADMP C[NH2+]C1(CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CCC1 ZINC000630000766 450945515 /nfs/dbraw/zinc/94/55/15/450945515.db2.gz QDYAQRPBNAUSNI-KRWDZBQOSA-N 2 1 330.476 1.233 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632122424 451052441 /nfs/dbraw/zinc/05/24/41/451052441.db2.gz UVLSDJATICFNFT-HOTGVXAUSA-N 2 1 329.510 1.218 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C[NH+](C)CC(C)(C)C ZINC000635559890 451057549 /nfs/dbraw/zinc/05/75/49/451057549.db2.gz JCUCNKSPTBGYTL-UHFFFAOYSA-N 2 1 326.529 1.449 20 0 EDADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC000635559890 451057555 /nfs/dbraw/zinc/05/75/55/451057555.db2.gz JCUCNKSPTBGYTL-UHFFFAOYSA-N 2 1 326.529 1.449 20 0 EDADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635559890 451057561 /nfs/dbraw/zinc/05/75/61/451057561.db2.gz JCUCNKSPTBGYTL-UHFFFAOYSA-N 2 1 326.529 1.449 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC000635559890 451057563 /nfs/dbraw/zinc/05/75/63/451057563.db2.gz JCUCNKSPTBGYTL-UHFFFAOYSA-N 2 1 326.529 1.449 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635559890 451057567 /nfs/dbraw/zinc/05/75/67/451057567.db2.gz JCUCNKSPTBGYTL-UHFFFAOYSA-N 2 1 326.529 1.449 20 0 EDADMP C[C@H](NC(=O)NCC1([NH3+])CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000627011874 451075392 /nfs/dbraw/zinc/07/53/92/451075392.db2.gz LWLTXRCISBVXJD-GJZGRUSLSA-N 2 1 338.496 1.447 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC000627011741 451075516 /nfs/dbraw/zinc/07/55/16/451075516.db2.gz IXDZQBNEWWWNNG-FPMFFAJLSA-N 2 1 348.413 1.806 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627013174 451077647 /nfs/dbraw/zinc/07/76/47/451077647.db2.gz LSLVOQVYRXTXDS-XYVMCAHJSA-N 2 1 330.476 1.947 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000632216869 451121792 /nfs/dbraw/zinc/12/17/92/451121792.db2.gz OEYPZRATDOADKU-NVXWUHKLSA-N 2 1 339.505 1.378 20 0 EDADMP CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627130251 451140674 /nfs/dbraw/zinc/14/06/74/451140674.db2.gz OTRXNAQAWLMCIP-IRXDYDNUSA-N 2 1 349.523 1.081 20 0 EDADMP CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627130251 451140676 /nfs/dbraw/zinc/14/06/76/451140676.db2.gz OTRXNAQAWLMCIP-IRXDYDNUSA-N 2 1 349.523 1.081 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@H](C)O[C@@H]3C)CC2)CC1 ZINC000634024769 451159838 /nfs/dbraw/zinc/15/98/38/451159838.db2.gz BNIKITSFLYLISN-HDMKZQKVSA-N 2 1 337.508 1.865 20 0 EDADMP CC(C)(C)CNC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000625122203 451175796 /nfs/dbraw/zinc/17/57/96/451175796.db2.gz LIHIUSYEMDIPIK-UHFFFAOYSA-N 2 1 325.497 1.583 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627198492 451181835 /nfs/dbraw/zinc/18/18/35/451181835.db2.gz LODNXBISPMXTTL-IXDOHACOSA-N 3 1 339.528 1.184 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)CC(C)(C)C ZINC000635704384 451184946 /nfs/dbraw/zinc/18/49/46/451184946.db2.gz HTUKEMWVYWJNMW-SJORKVTESA-N 2 1 339.524 1.848 20 0 EDADMP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C[C@H]3CC[N@@H+](C)C3)nc2)C1 ZINC000635720826 451197061 /nfs/dbraw/zinc/19/70/61/451197061.db2.gz WMGWIBZBRVZALD-ZBFHGGJFSA-N 2 1 331.464 1.502 20 0 EDADMP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)[NH+](C)C ZINC000635734532 451205898 /nfs/dbraw/zinc/20/58/98/451205898.db2.gz ONBYVTLZTCTBHU-BPQIPLTHSA-N 2 1 338.540 1.732 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000635745310 451215003 /nfs/dbraw/zinc/21/50/03/451215003.db2.gz WGIALBIOMQLTFM-MSOLQXFVSA-N 2 1 345.487 1.906 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000638082291 451245605 /nfs/dbraw/zinc/24/56/05/451245605.db2.gz GUULBUPPUSMGGJ-DAYGRLMNSA-N 2 1 333.476 1.802 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000638084027 451247717 /nfs/dbraw/zinc/24/77/17/451247717.db2.gz MIHVZIAACRZHFV-MOPGFXCFSA-N 2 1 344.503 1.533 20 0 EDADMP O=C(NC[C@H]1CCCC[NH2+]1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634261222 451256394 /nfs/dbraw/zinc/25/63/94/451256394.db2.gz ZBYYJLBZFKDRPR-MJGOQNOKSA-N 2 1 346.475 1.065 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000638094298 451259040 /nfs/dbraw/zinc/25/90/40/451259040.db2.gz ZNMAHDAQLITBBX-DZGCQCFKSA-N 2 1 332.448 1.320 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000638096647 451260512 /nfs/dbraw/zinc/26/05/12/451260512.db2.gz PNPNPNKZRLDCDJ-MPGHIAIKSA-N 2 1 335.448 1.608 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638101933 451268797 /nfs/dbraw/zinc/26/87/97/451268797.db2.gz RCDSHRXJPOXVJQ-ZWKOTPCHSA-N 2 1 331.460 1.473 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638111253 451279740 /nfs/dbraw/zinc/27/97/40/451279740.db2.gz MSCNNZTYYJXMMI-MOPGFXCFSA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638111253 451279743 /nfs/dbraw/zinc/27/97/43/451279743.db2.gz MSCNNZTYYJXMMI-MOPGFXCFSA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638111253 451279745 /nfs/dbraw/zinc/27/97/45/451279745.db2.gz MSCNNZTYYJXMMI-MOPGFXCFSA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638111253 451279749 /nfs/dbraw/zinc/27/97/49/451279749.db2.gz MSCNNZTYYJXMMI-MOPGFXCFSA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638111253 451279750 /nfs/dbraw/zinc/27/97/50/451279750.db2.gz MSCNNZTYYJXMMI-MOPGFXCFSA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000638116785 451284256 /nfs/dbraw/zinc/28/42/56/451284256.db2.gz GPQONUWIKMZTPC-IAGOWNOFSA-N 2 1 347.507 1.472 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)CN3CC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000638122503 451291701 /nfs/dbraw/zinc/29/17/01/451291701.db2.gz PXTWKYISYIXSPR-HOTGVXAUSA-N 2 1 346.475 1.140 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000638130985 451301451 /nfs/dbraw/zinc/30/14/51/451301451.db2.gz NPMZLTACENKLHG-KPFFTGBYSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000638133591 451305281 /nfs/dbraw/zinc/30/52/81/451305281.db2.gz JDBZYRLBOLLEGM-LBTBCDHLSA-N 2 1 331.460 1.518 20 0 EDADMP [NH3+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000638138579 451313723 /nfs/dbraw/zinc/31/37/23/451313723.db2.gz IBXVWDSMFUXGIP-LNLFQRSKSA-N 2 1 329.444 1.085 20 0 EDADMP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638148846 451322801 /nfs/dbraw/zinc/32/28/01/451322801.db2.gz KNTSHJAPQXSMSX-NSHGMRRFSA-N 2 1 343.471 1.393 20 0 EDADMP C[C@H]([NH3+])CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000638209991 451355795 /nfs/dbraw/zinc/35/57/95/451355795.db2.gz FBJRICGFZYFWNF-NUEKZKHPSA-N 2 1 344.484 1.822 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640478779 451338600 /nfs/dbraw/zinc/33/86/00/451338600.db2.gz XHXJOEKROMXRJP-YLJYHZDGSA-N 2 1 343.471 1.142 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640478779 451338609 /nfs/dbraw/zinc/33/86/09/451338609.db2.gz XHXJOEKROMXRJP-YLJYHZDGSA-N 2 1 343.471 1.142 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)ccn1 ZINC000628749136 451397289 /nfs/dbraw/zinc/39/72/89/451397289.db2.gz LHKHDWJBEZAVKW-HNNXBMFYSA-N 2 1 334.464 1.484 20 0 EDADMP CO[C@]1(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CCOC1 ZINC000638285708 451403082 /nfs/dbraw/zinc/40/30/82/451403082.db2.gz JYSVOSZVVBOFAV-RDJZCZTQSA-N 2 1 339.505 1.432 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000638287306 451404956 /nfs/dbraw/zinc/40/49/56/451404956.db2.gz WOQLMFGJIWTQHS-BPQIPLTHSA-N 2 1 331.460 1.508 20 0 EDADMP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000634642779 451436489 /nfs/dbraw/zinc/43/64/89/451436489.db2.gz QNVYAHOQBSLNGX-MJVIPROJSA-N 2 1 331.243 1.884 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640607334 451455672 /nfs/dbraw/zinc/45/56/72/451455672.db2.gz IEXVJVVCFXWKGB-KRWDZBQOSA-N 2 1 349.479 1.718 20 0 EDADMP Cn1cc(CCC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000634703160 451478839 /nfs/dbraw/zinc/47/88/39/451478839.db2.gz QYAIKBFTSWXDIW-LJQANCHMSA-N 2 1 328.460 1.579 20 0 EDADMP Cn1cc(CCC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000634703160 451478845 /nfs/dbraw/zinc/47/88/45/451478845.db2.gz QYAIKBFTSWXDIW-LJQANCHMSA-N 2 1 328.460 1.579 20 0 EDADMP O=C1CCCCN1CCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634703511 451479155 /nfs/dbraw/zinc/47/91/55/451479155.db2.gz XHEVMAZUDJNBRQ-FQEVSTJZSA-N 2 1 345.487 1.616 20 0 EDADMP O=C1CCCCN1CCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634703511 451479160 /nfs/dbraw/zinc/47/91/60/451479160.db2.gz XHEVMAZUDJNBRQ-FQEVSTJZSA-N 2 1 345.487 1.616 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638402854 451490634 /nfs/dbraw/zinc/49/06/34/451490634.db2.gz DFUVZRPTZROLPY-FXAWDEMLSA-N 2 1 345.487 1.721 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000638402398 451490854 /nfs/dbraw/zinc/49/08/54/451490854.db2.gz LTPSIAVKQLUAIQ-RDJZCZTQSA-N 2 1 333.476 1.802 20 0 EDADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000638413457 451499324 /nfs/dbraw/zinc/49/93/24/451499324.db2.gz XHGAHZNFLHJRBC-MNEFBYGVSA-N 2 1 345.487 1.989 20 0 EDADMP OC[C@H](Cc1ccncc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720245 451500311 /nfs/dbraw/zinc/50/03/11/451500311.db2.gz HGWIBHPNZLUGDQ-PMACEKPBSA-N 2 1 341.455 1.212 20 0 EDADMP OC[C@H](Cc1ccncc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720245 451500318 /nfs/dbraw/zinc/50/03/18/451500318.db2.gz HGWIBHPNZLUGDQ-PMACEKPBSA-N 2 1 341.455 1.212 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000638450408 451522400 /nfs/dbraw/zinc/52/24/00/451522400.db2.gz BQSZQXRSVNXJGC-INIZCTEOSA-N 2 1 331.460 1.617 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CO[C@@H](C4CC4)C3)CC2)CC1 ZINC000629128830 451560863 /nfs/dbraw/zinc/56/08/63/451560863.db2.gz VYQVBNMEEWZCIE-IEBWSBKVSA-N 2 1 349.519 1.866 20 0 EDADMP O=c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c[nH]1 ZINC000631077516 451570493 /nfs/dbraw/zinc/57/04/93/451570493.db2.gz GMFGCRZRYWSVPW-ROUUACIJSA-N 2 1 327.428 1.760 20 0 EDADMP O=c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c[nH]1 ZINC000631077516 451570500 /nfs/dbraw/zinc/57/05/00/451570500.db2.gz GMFGCRZRYWSVPW-ROUUACIJSA-N 2 1 327.428 1.760 20 0 EDADMP Nc1ccc(-c2cccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000634994409 451642156 /nfs/dbraw/zinc/64/21/56/451642156.db2.gz BSYNAXRPPRCUSX-IBGZPJMESA-N 2 1 337.471 1.810 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)CC[N@H+]1C ZINC000632921351 451651968 /nfs/dbraw/zinc/65/19/68/451651968.db2.gz CYHWUEPNHFPBKD-DLBZAZTESA-N 2 1 344.463 1.376 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638857750 451713012 /nfs/dbraw/zinc/71/30/12/451713012.db2.gz YNOGWFACJBEVPW-KPFFTGBYSA-N 2 1 345.487 1.626 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638969088 451743239 /nfs/dbraw/zinc/74/32/39/451743239.db2.gz PCMLNDDWAIWAMQ-ZHCJQAHYSA-N 2 1 325.497 1.754 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638969088 451743241 /nfs/dbraw/zinc/74/32/41/451743241.db2.gz PCMLNDDWAIWAMQ-ZHCJQAHYSA-N 2 1 325.497 1.754 20 0 EDADMP [NH3+]C[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccc(F)cc1 ZINC000638983827 451745852 /nfs/dbraw/zinc/74/58/52/451745852.db2.gz HGZYMRAXTWUMNS-INIZCTEOSA-N 2 1 343.406 1.311 20 0 EDADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638985351 451746326 /nfs/dbraw/zinc/74/63/26/451746326.db2.gz FASNCZLTBJDAAG-QGZVFWFLSA-N 2 1 337.427 1.664 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)c2ccccc2)CC1 ZINC000639040362 451756161 /nfs/dbraw/zinc/75/61/61/451756161.db2.gz AOXVGSXUOSAWMA-BZSNNMDCSA-N 2 1 330.476 1.361 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCc2c(O)cccc2C1 ZINC000637263490 451773539 /nfs/dbraw/zinc/77/35/39/451773539.db2.gz GZMDBHLOZDXXGG-HNNXBMFYSA-N 2 1 348.491 1.732 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCc2c(O)cccc2C1 ZINC000637263490 451773541 /nfs/dbraw/zinc/77/35/41/451773541.db2.gz GZMDBHLOZDXXGG-HNNXBMFYSA-N 2 1 348.491 1.732 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC[NH2+]C1CC1 ZINC000637330054 451790924 /nfs/dbraw/zinc/79/09/24/451790924.db2.gz RXGCSTTZQRYAOI-GOSISDBHSA-N 2 1 345.491 1.830 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@]3(OC)CCOC3)CC2)CC1 ZINC000639277371 451803070 /nfs/dbraw/zinc/80/30/70/451803070.db2.gz VEADEXROUGMITK-SFHVURJKSA-N 2 1 325.497 1.284 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000642015722 451805974 /nfs/dbraw/zinc/80/59/74/451805974.db2.gz VBTNOERSUGWDSO-GOSISDBHSA-N 2 1 346.475 1.201 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000644521918 451837920 /nfs/dbraw/zinc/83/79/20/451837920.db2.gz CAOOYRWYVXFCPG-IAGOWNOFSA-N 2 1 328.497 1.787 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000644672986 451932207 /nfs/dbraw/zinc/93/22/07/451932207.db2.gz OORWNKVRWNLKRY-CVEARBPZSA-N 2 1 327.419 1.408 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000644672986 451932211 /nfs/dbraw/zinc/93/22/11/451932211.db2.gz OORWNKVRWNLKRY-CVEARBPZSA-N 2 1 327.419 1.408 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)[C@@H](C)C1 ZINC000639589604 451960512 /nfs/dbraw/zinc/96/05/12/451960512.db2.gz POKRCUPZCBCQOM-RYQLBKOJSA-N 2 1 337.508 1.866 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)[C@@H](C)C1 ZINC000639589604 451960516 /nfs/dbraw/zinc/96/05/16/451960516.db2.gz POKRCUPZCBCQOM-RYQLBKOJSA-N 2 1 337.508 1.866 20 0 EDADMP CNC(=O)[C@@]1(C)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639622229 451978984 /nfs/dbraw/zinc/97/89/84/451978984.db2.gz CPNUEHCDSWGCHQ-OALUTQOASA-N 2 1 331.460 1.081 20 0 EDADMP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639622229 451978986 /nfs/dbraw/zinc/97/89/86/451978986.db2.gz CPNUEHCDSWGCHQ-OALUTQOASA-N 2 1 331.460 1.081 20 0 EDADMP CNC(=O)[C@@]1(C)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639622229 451978989 /nfs/dbraw/zinc/97/89/89/451978989.db2.gz CPNUEHCDSWGCHQ-OALUTQOASA-N 2 1 331.460 1.081 20 0 EDADMP CNC(=O)[C@@]1(C)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639622229 451978993 /nfs/dbraw/zinc/97/89/93/451978993.db2.gz CPNUEHCDSWGCHQ-OALUTQOASA-N 2 1 331.460 1.081 20 0 EDADMP COCC[N@H+](C)C[C@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653492964 451982140 /nfs/dbraw/zinc/98/21/40/451982140.db2.gz FLNUKVMOORFZDE-IBGZPJMESA-N 2 1 341.540 1.514 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653492964 451982146 /nfs/dbraw/zinc/98/21/46/451982146.db2.gz FLNUKVMOORFZDE-IBGZPJMESA-N 2 1 341.540 1.514 20 0 EDADMP C[N@H+]1CC[C@](N)(C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000649308944 451987223 /nfs/dbraw/zinc/98/72/23/451987223.db2.gz JCWGREDGNGPANE-WMLDXEAASA-N 2 1 336.505 1.109 20 0 EDADMP C[NH+]1CC[C@](N)(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000649308944 451987230 /nfs/dbraw/zinc/98/72/30/451987230.db2.gz JCWGREDGNGPANE-WMLDXEAASA-N 2 1 336.505 1.109 20 0 EDADMP C[NH+]1CC[C@](N)(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000649308944 451987236 /nfs/dbraw/zinc/98/72/36/451987236.db2.gz JCWGREDGNGPANE-WMLDXEAASA-N 2 1 336.505 1.109 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)CC2)cs1 ZINC000644814831 452006161 /nfs/dbraw/zinc/00/61/61/452006161.db2.gz MMSLLGAXVCTAER-NVXWUHKLSA-N 2 1 348.516 1.826 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)CC2)cs1 ZINC000644814831 452006166 /nfs/dbraw/zinc/00/61/66/452006166.db2.gz MMSLLGAXVCTAER-NVXWUHKLSA-N 2 1 348.516 1.826 20 0 EDADMP c1ccc(-n2nnnc2CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639682200 452020682 /nfs/dbraw/zinc/02/06/82/452020682.db2.gz MOCVLPMKXMEPTD-UHFFFAOYSA-N 2 1 349.442 1.812 20 0 EDADMP C[N@H+]1CC[C@](N)(C(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000649341008 452021637 /nfs/dbraw/zinc/02/16/37/452021637.db2.gz HHGAMUDHJREITQ-FRFSOERESA-N 2 1 336.505 1.280 20 0 EDADMP C[NH+]1CC[C@](N)(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000649341008 452021641 /nfs/dbraw/zinc/02/16/41/452021641.db2.gz HHGAMUDHJREITQ-FRFSOERESA-N 2 1 336.505 1.280 20 0 EDADMP C[NH+]1CC[C@](N)(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000649341008 452021645 /nfs/dbraw/zinc/02/16/45/452021645.db2.gz HHGAMUDHJREITQ-FRFSOERESA-N 2 1 336.505 1.280 20 0 EDADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NC[C@H](C)[NH3+] ZINC000641493005 452025437 /nfs/dbraw/zinc/02/54/37/452025437.db2.gz JYCXOOJAFCWAIF-RLFYNMQTSA-N 2 1 347.507 1.979 20 0 EDADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NC[C@H](C)[NH3+] ZINC000641493005 452025444 /nfs/dbraw/zinc/02/54/44/452025444.db2.gz JYCXOOJAFCWAIF-RLFYNMQTSA-N 2 1 347.507 1.979 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]CC2(F)F)c2ccccc2O1 ZINC000649347352 452030203 /nfs/dbraw/zinc/03/02/03/452030203.db2.gz ROJUGQPMHQLXPC-CHWSQXEVSA-N 2 1 339.386 1.587 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000649351367 452035146 /nfs/dbraw/zinc/03/51/46/452035146.db2.gz QNCGUYRWTSOMEJ-YJBOKZPZSA-N 2 1 348.466 1.439 20 0 EDADMP O=C(C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)NC(C1CC1)C1CC1 ZINC000639703692 452040952 /nfs/dbraw/zinc/04/09/52/452040952.db2.gz LNXYOAWCSRYANX-UHFFFAOYSA-N 2 1 328.460 1.899 20 0 EDADMP O=C(C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)NC(C1CC1)C1CC1 ZINC000639703692 452040959 /nfs/dbraw/zinc/04/09/59/452040959.db2.gz LNXYOAWCSRYANX-UHFFFAOYSA-N 2 1 328.460 1.899 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000647077059 452045744 /nfs/dbraw/zinc/04/57/44/452045744.db2.gz YASYKXNOWNFMRQ-KURKYZTESA-N 2 1 331.460 1.644 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649378553 452051928 /nfs/dbraw/zinc/05/19/28/452051928.db2.gz IVDZSPTXAQEDSU-WMZOPIPTSA-N 2 1 337.508 1.726 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644940550 452076516 /nfs/dbraw/zinc/07/65/16/452076516.db2.gz HPQYYMLQUICRAR-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644940550 452076523 /nfs/dbraw/zinc/07/65/23/452076523.db2.gz HPQYYMLQUICRAR-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644940550 452076531 /nfs/dbraw/zinc/07/65/31/452076531.db2.gz HPQYYMLQUICRAR-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP c1cc(-c2noc(CCC3C[NH2+]C3)n2)ccc1C[NH+]1CCOCC1 ZINC000637795475 452085933 /nfs/dbraw/zinc/08/59/33/452085933.db2.gz WYUMIWYBJOUKBV-UHFFFAOYSA-N 2 1 328.416 1.721 20 0 EDADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639760257 452098238 /nfs/dbraw/zinc/09/82/38/452098238.db2.gz DFKKXCMOELRTIG-GOSISDBHSA-N 2 1 337.439 1.851 20 0 EDADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639760257 452098244 /nfs/dbraw/zinc/09/82/44/452098244.db2.gz DFKKXCMOELRTIG-GOSISDBHSA-N 2 1 337.439 1.851 20 0 EDADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000651865919 452129593 /nfs/dbraw/zinc/12/95/93/452129593.db2.gz MRLSGDOPGBGHHV-UHFFFAOYSA-N 2 1 340.556 1.351 20 0 EDADMP CC(C)C[N@H+](C)CCCNC1CC[NH+](CCN2CCOCC2)CC1 ZINC000651865919 452129601 /nfs/dbraw/zinc/12/96/01/452129601.db2.gz MRLSGDOPGBGHHV-UHFFFAOYSA-N 2 1 340.556 1.351 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC1CC[NH+](CCN2CCOCC2)CC1 ZINC000651865919 452129609 /nfs/dbraw/zinc/12/96/09/452129609.db2.gz MRLSGDOPGBGHHV-UHFFFAOYSA-N 2 1 340.556 1.351 20 0 EDADMP C[NH+](C)CCOc1ccccc1N1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649561773 452144890 /nfs/dbraw/zinc/14/48/90/452144890.db2.gz IXVHSNGPJJAGAE-GOSISDBHSA-N 2 1 346.519 1.843 20 0 EDADMP Cc1cncc(CCN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000649589153 452157312 /nfs/dbraw/zinc/15/73/12/452157312.db2.gz IYYLSKSMIYVLTB-HXUWFJFHSA-N 2 1 340.471 1.896 20 0 EDADMP Cc1cncc(CC[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000649589153 452157313 /nfs/dbraw/zinc/15/73/13/452157313.db2.gz IYYLSKSMIYVLTB-HXUWFJFHSA-N 2 1 340.471 1.896 20 0 EDADMP Cc1cncc(CC[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000649589153 452157315 /nfs/dbraw/zinc/15/73/15/452157315.db2.gz IYYLSKSMIYVLTB-HXUWFJFHSA-N 2 1 340.471 1.896 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC[NH+](C2CC2)C1 ZINC000649661431 452186609 /nfs/dbraw/zinc/18/66/09/452186609.db2.gz CERPDKLZDHMZEV-YLJYHZDGSA-N 2 1 331.504 1.895 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)Cc2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000649661431 452186613 /nfs/dbraw/zinc/18/66/13/452186613.db2.gz CERPDKLZDHMZEV-YLJYHZDGSA-N 2 1 331.504 1.895 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)Cc2ccccc2)CC[N@H+](C2CC2)C1 ZINC000649661431 452186618 /nfs/dbraw/zinc/18/66/18/452186618.db2.gz CERPDKLZDHMZEV-YLJYHZDGSA-N 2 1 331.504 1.895 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000647414986 452206672 /nfs/dbraw/zinc/20/66/72/452206672.db2.gz HVJFWUJYDWOGEB-RTBURBONSA-N 2 1 345.487 1.396 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000647414986 452206680 /nfs/dbraw/zinc/20/66/80/452206680.db2.gz HVJFWUJYDWOGEB-RTBURBONSA-N 2 1 345.487 1.396 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000647414986 452206684 /nfs/dbraw/zinc/20/66/84/452206684.db2.gz HVJFWUJYDWOGEB-RTBURBONSA-N 2 1 345.487 1.396 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000641706471 452211715 /nfs/dbraw/zinc/21/17/15/452211715.db2.gz ACMRIDMPLWOYJL-UHFFFAOYSA-N 2 1 331.464 1.776 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645232687 452224755 /nfs/dbraw/zinc/22/47/55/452224755.db2.gz MJQJKDDINRQPQP-OAHLLOKOSA-N 2 1 349.479 1.334 20 0 EDADMP CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000643454617 452230576 /nfs/dbraw/zinc/23/05/76/452230576.db2.gz SFNNFZZSVUEHCD-ROUUACIJSA-N 2 1 345.468 1.970 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645249667 452235335 /nfs/dbraw/zinc/23/53/35/452235335.db2.gz FJSCACIUQHPISW-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000643489519 452256963 /nfs/dbraw/zinc/25/69/63/452256963.db2.gz YKUDKOMFSWPJLG-QGPPMGRFSA-N 2 1 335.473 1.322 20 0 EDADMP Cc1ccc(C[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000647530187 452266065 /nfs/dbraw/zinc/26/60/65/452266065.db2.gz ZEMCHTBZCUKVMA-RTWAWAEBSA-N 2 1 342.483 1.981 20 0 EDADMP Cc1ccc(C[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000647530187 452266073 /nfs/dbraw/zinc/26/60/73/452266073.db2.gz ZEMCHTBZCUKVMA-RTWAWAEBSA-N 2 1 342.483 1.981 20 0 EDADMP C[NH+](C)CCOc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647541641 452273720 /nfs/dbraw/zinc/27/37/20/452273720.db2.gz VZTXTBCYUQWHCJ-SFHVURJKSA-N 3 1 332.492 1.107 20 0 EDADMP C[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1(C)C ZINC000641799466 452275373 /nfs/dbraw/zinc/27/53/73/452275373.db2.gz NWZZQXMEZUDUMN-HNNXBMFYSA-N 2 1 338.496 1.223 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CC2CC1(C[NH3+])C2)[NH+]1CCOCC1 ZINC000659432047 452276879 /nfs/dbraw/zinc/27/68/79/452276879.db2.gz VXUUMIBWNRNQOH-BFHRDPOASA-N 2 1 338.496 1.256 20 0 EDADMP COCCOc1cccc(CNC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641802852 452278012 /nfs/dbraw/zinc/27/80/12/452278012.db2.gz BLRUQRZVAYXMGJ-CVEARBPZSA-N 2 1 335.448 1.043 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)NCCc2cnn(-c3ccccc3)c2)C[C@@H]1[NH3+] ZINC000641803508 452280404 /nfs/dbraw/zinc/28/04/04/452280404.db2.gz GFHZBJFCIKTAGX-DLBZAZTESA-N 2 1 341.459 1.246 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487392 452284976 /nfs/dbraw/zinc/28/49/76/452284976.db2.gz DTOVFHWKDGLKJB-NRKLIOEPSA-N 2 1 325.497 1.898 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487392 452284981 /nfs/dbraw/zinc/28/49/81/452284981.db2.gz DTOVFHWKDGLKJB-NRKLIOEPSA-N 2 1 325.497 1.898 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487764 452285694 /nfs/dbraw/zinc/28/56/94/452285694.db2.gz NFFPCQDMGIWJPP-HRCADAONSA-N 2 1 333.476 1.676 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487764 452285701 /nfs/dbraw/zinc/28/57/01/452285701.db2.gz NFFPCQDMGIWJPP-HRCADAONSA-N 2 1 333.476 1.676 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1OC ZINC000641805804 452286644 /nfs/dbraw/zinc/28/66/44/452286644.db2.gz OPCYSOFSFNLKDD-UVBJJODRSA-N 2 1 335.448 1.424 20 0 EDADMP C[C@@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487542 452286696 /nfs/dbraw/zinc/28/66/96/452286696.db2.gz HDBNXDDPRUQGJA-MIALQEHNSA-N 2 1 345.487 1.532 20 0 EDADMP C[C@@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487542 452286707 /nfs/dbraw/zinc/28/67/07/452286707.db2.gz HDBNXDDPRUQGJA-MIALQEHNSA-N 2 1 345.487 1.532 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC(C)(C)N2CCOCC2)CC1 ZINC000638034122 452287994 /nfs/dbraw/zinc/28/79/94/452287994.db2.gz JIAZQQMPCSVHFT-GOSISDBHSA-N 2 1 338.540 1.199 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CN1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000638034122 452288022 /nfs/dbraw/zinc/28/80/22/452288022.db2.gz JIAZQQMPCSVHFT-GOSISDBHSA-N 2 1 338.540 1.199 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000638034122 452288031 /nfs/dbraw/zinc/28/80/31/452288031.db2.gz JIAZQQMPCSVHFT-GOSISDBHSA-N 2 1 338.540 1.199 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000659445238 452295842 /nfs/dbraw/zinc/29/58/42/452295842.db2.gz HABVRBSPFUPWLZ-KBRIMQKVSA-N 2 1 334.439 1.514 20 0 EDADMP CCN(C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663578388 452299663 /nfs/dbraw/zinc/29/96/63/452299663.db2.gz AFUVDHJUEXUCOJ-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP CCN(C(=O)NC1CC[NH+](CCN(C)C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663578388 452299673 /nfs/dbraw/zinc/29/96/73/452299673.db2.gz AFUVDHJUEXUCOJ-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP CCN(C(=O)NC1CC[NH+](CCN(C)C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663578388 452299684 /nfs/dbraw/zinc/29/96/84/452299684.db2.gz AFUVDHJUEXUCOJ-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000661505295 452309199 /nfs/dbraw/zinc/30/91/99/452309199.db2.gz KXLAESLEKMBWPQ-OAHLLOKOSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](c1ccc(NC(=O)N[C@]2(C)CC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000663586622 452311710 /nfs/dbraw/zinc/31/17/10/452311710.db2.gz PINYVEOGEAAXPO-KBXCAEBGSA-N 2 1 332.448 1.953 20 0 EDADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000639981286 452314327 /nfs/dbraw/zinc/31/43/27/452314327.db2.gz IXANUSMCSUDXEP-SJORKVTESA-N 2 1 326.481 1.493 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)CCO)CC1 ZINC000649866057 452327067 /nfs/dbraw/zinc/32/70/67/452327067.db2.gz KOVDLJJRDPBULW-QGZVFWFLSA-N 2 1 347.503 1.778 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C[C@@H]1C ZINC000665760744 452331095 /nfs/dbraw/zinc/33/10/95/452331095.db2.gz OKDVLGRTJYCHMJ-YESZJQIVSA-N 2 1 341.544 1.383 20 0 EDADMP CCC[NH+]1CCC(NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638053527 452333016 /nfs/dbraw/zinc/33/30/16/452333016.db2.gz BIXWLTQRVILYFZ-SFHVURJKSA-N 2 1 332.492 1.436 20 0 EDADMP CCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638053527 452333026 /nfs/dbraw/zinc/33/30/26/452333026.db2.gz BIXWLTQRVILYFZ-SFHVURJKSA-N 2 1 332.492 1.436 20 0 EDADMP C[C@H](O)C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665762582 452339105 /nfs/dbraw/zinc/33/91/05/452339105.db2.gz JECFUXDASDAIPI-ULQDDVLXSA-N 2 1 342.528 1.593 20 0 EDADMP C[C@H](O)C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665762582 452339111 /nfs/dbraw/zinc/33/91/11/452339111.db2.gz JECFUXDASDAIPI-ULQDDVLXSA-N 2 1 342.528 1.593 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659481209 452341477 /nfs/dbraw/zinc/34/14/77/452341477.db2.gz GTDOWONPFFBHFL-JGWYNZBZSA-N 2 1 328.460 1.558 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657574079 452342041 /nfs/dbraw/zinc/34/20/41/452342041.db2.gz YZGVHQZGTOQMHM-INIZCTEOSA-N 2 1 330.480 1.629 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCCC[C@H]1[C@H](C)CO ZINC000665763441 452343384 /nfs/dbraw/zinc/34/33/84/452343384.db2.gz AVXCZPYPMQGGDT-IKGGRYGDSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCCC[C@H]1[C@H](C)CO ZINC000665763441 452343391 /nfs/dbraw/zinc/34/33/91/452343391.db2.gz AVXCZPYPMQGGDT-IKGGRYGDSA-N 2 1 342.528 1.451 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652151092 452345867 /nfs/dbraw/zinc/34/58/67/452345867.db2.gz IQAZLRIJLJBQJR-ULQDDVLXSA-N 2 1 340.512 1.646 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652163135 452357289 /nfs/dbraw/zinc/35/72/89/452357289.db2.gz ARSMWYZDWPVARI-BBWFWOEESA-N 2 1 340.512 1.646 20 0 EDADMP Cc1cc(CNC(=O)NCC23CC(C2)C[NH2+]3)cc(N2CCCC2)[nH+]1 ZINC000659494137 452357333 /nfs/dbraw/zinc/35/73/33/452357333.db2.gz PFQLJXKUSHGCRT-UHFFFAOYSA-N 2 1 329.448 1.541 20 0 EDADMP CCC(=O)N1CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000657594604 452360350 /nfs/dbraw/zinc/36/03/50/452360350.db2.gz JAEUDTSYLNARIJ-LJQANCHMSA-N 2 1 345.487 1.744 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638064707 452364073 /nfs/dbraw/zinc/36/40/73/452364073.db2.gz VWCNNAIXZKMETI-JCGIZDLHSA-N 2 1 331.460 1.651 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000638073558 452384487 /nfs/dbraw/zinc/38/44/87/452384487.db2.gz FFYXMWAJQXWMHD-BZSNNMDCSA-N 2 1 330.476 1.189 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000638073558 452384497 /nfs/dbraw/zinc/38/44/97/452384497.db2.gz FFYXMWAJQXWMHD-BZSNNMDCSA-N 2 1 330.476 1.189 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000638073558 452384506 /nfs/dbraw/zinc/38/45/06/452384506.db2.gz FFYXMWAJQXWMHD-BZSNNMDCSA-N 2 1 330.476 1.189 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000659535854 452395883 /nfs/dbraw/zinc/39/58/83/452395883.db2.gz LGJGJSCBZQILNH-QZTJIDSGSA-N 2 1 346.475 1.195 20 0 EDADMP C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000659554948 452412091 /nfs/dbraw/zinc/41/20/91/452412091.db2.gz XKLPLAFQFDIMJL-YOEHRIQHSA-N 2 1 334.464 1.180 20 0 EDADMP CN(C(=O)N[C@@H]1C[C@H]1c1ccco1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000665940300 452479491 /nfs/dbraw/zinc/47/94/91/452479491.db2.gz JAYGHPGQYDZWMI-BRWVUGGUSA-N 2 1 346.475 1.945 20 0 EDADMP CN(C(=O)N[C@@H]1C[C@H]1c1ccco1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000665940300 452479499 /nfs/dbraw/zinc/47/94/99/452479499.db2.gz JAYGHPGQYDZWMI-BRWVUGGUSA-N 2 1 346.475 1.945 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCCC2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000652317250 452489881 /nfs/dbraw/zinc/48/98/81/452489881.db2.gz LGADZPDSTMZZDU-QGZVFWFLSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000652336015 452506929 /nfs/dbraw/zinc/50/69/29/452506929.db2.gz YKMYOQQGROTMTG-DZGCQCFKSA-N 2 1 337.489 1.687 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000652336015 452506939 /nfs/dbraw/zinc/50/69/39/452506939.db2.gz YKMYOQQGROTMTG-DZGCQCFKSA-N 2 1 337.489 1.687 20 0 EDADMP c1cnc(N2CCC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)nc1 ZINC000655695481 452517789 /nfs/dbraw/zinc/51/77/89/452517789.db2.gz ZALOXGBDTZJEPP-ROUUACIJSA-N 2 1 345.491 1.678 20 0 EDADMP OC[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccc(F)cc1 ZINC000655698588 452519608 /nfs/dbraw/zinc/51/96/08/452519608.db2.gz MGEGMHGYBBINAP-VQIMIIECSA-N 2 1 336.451 1.820 20 0 EDADMP CN1CCN(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)CC1 ZINC000647783724 452520627 /nfs/dbraw/zinc/52/06/27/452520627.db2.gz AYXKZVVXXNNBCD-BQJUDKOJSA-N 2 1 342.531 1.953 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458031 452522367 /nfs/dbraw/zinc/52/23/67/452522367.db2.gz XDEDPBQNQTZYJO-JONQDZQNSA-N 2 1 326.485 1.268 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458031 452522377 /nfs/dbraw/zinc/52/23/77/452522377.db2.gz XDEDPBQNQTZYJO-JONQDZQNSA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458031 452522385 /nfs/dbraw/zinc/52/23/85/452522385.db2.gz XDEDPBQNQTZYJO-JONQDZQNSA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458031 452522391 /nfs/dbraw/zinc/52/23/91/452522391.db2.gz XDEDPBQNQTZYJO-JONQDZQNSA-N 2 1 326.485 1.268 20 0 EDADMP CC1(C)COCCN1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655709415 452526747 /nfs/dbraw/zinc/52/67/47/452526747.db2.gz ZIIPQVXCFBOHFJ-QGZVFWFLSA-N 2 1 325.497 1.330 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000654474276 452540236 /nfs/dbraw/zinc/54/02/36/452540236.db2.gz LIGDQXQYSMIGPN-WOVMCDHWSA-N 2 1 336.455 1.897 20 0 EDADMP CC(C)CN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C1CC1 ZINC000652361563 452541929 /nfs/dbraw/zinc/54/19/29/452541929.db2.gz KGQGEACELYOKCH-JQHSSLGASA-N 2 1 337.508 1.994 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(=O)n3ccccc3n2)C1 ZINC000652360874 452542497 /nfs/dbraw/zinc/54/24/97/452542497.db2.gz SMYFWMSUNNCHKN-PVAVHDDUSA-N 2 1 342.443 1.555 20 0 EDADMP CC(C)N(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C(C)C ZINC000652360187 452542579 /nfs/dbraw/zinc/54/25/79/452542579.db2.gz CGHMRMWXICGPSA-GVDBMIGSSA-N 2 1 325.497 1.993 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC2CC[NH+]([C@@H]3CCOC3)CC2)CCCO1 ZINC000655760072 452561566 /nfs/dbraw/zinc/56/15/66/452561566.db2.gz WVDFHNDVLKGOFT-SJLPKXTDSA-N 3 1 325.497 1.330 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC2CC[NH+]([C@H]3CCOC3)CC2)CCCO1 ZINC000655760070 452562730 /nfs/dbraw/zinc/56/27/30/452562730.db2.gz WVDFHNDVLKGOFT-AEFFLSMTSA-N 3 1 325.497 1.330 20 0 EDADMP OCC[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772485 452568901 /nfs/dbraw/zinc/56/89/01/452568901.db2.gz XEBZFSARIPKQDR-QZTJIDSGSA-N 2 1 325.497 1.066 20 0 EDADMP OCC[N@H+]1CCCC[C@@H]1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772485 452568910 /nfs/dbraw/zinc/56/89/10/452568910.db2.gz XEBZFSARIPKQDR-QZTJIDSGSA-N 2 1 325.497 1.066 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835304 452568951 /nfs/dbraw/zinc/56/89/51/452568951.db2.gz UBSYWVDEGKWTGX-HOTGVXAUSA-N 2 1 348.491 1.098 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835304 452568964 /nfs/dbraw/zinc/56/89/64/452568964.db2.gz UBSYWVDEGKWTGX-HOTGVXAUSA-N 2 1 348.491 1.098 20 0 EDADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835235 452571079 /nfs/dbraw/zinc/57/10/79/452571079.db2.gz RRPPZKKTTGBRAR-AWEZNQCLSA-N 2 1 338.883 1.812 20 0 EDADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835235 452571087 /nfs/dbraw/zinc/57/10/87/452571087.db2.gz RRPPZKKTTGBRAR-AWEZNQCLSA-N 2 1 338.883 1.812 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](C3CC3)[C@@H]3CCCCO3)cn2)CC1 ZINC000655811029 452589621 /nfs/dbraw/zinc/58/96/21/452589621.db2.gz HMOSEFJQJDLRCY-ZWKOTPCHSA-N 2 1 345.491 1.666 20 0 EDADMP C[C@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000654561139 452646834 /nfs/dbraw/zinc/64/68/34/452646834.db2.gz CHNADIYYVHTXKH-OWLYRPNTSA-N 2 1 346.475 1.138 20 0 EDADMP C[C@@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654590642 452676803 /nfs/dbraw/zinc/67/68/03/452676803.db2.gz HEUNAEOXZRLAPV-MWDXBVQZSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654590642 452676815 /nfs/dbraw/zinc/67/68/15/452676815.db2.gz HEUNAEOXZRLAPV-MWDXBVQZSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NCC[C@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654590642 452676824 /nfs/dbraw/zinc/67/68/24/452676824.db2.gz HEUNAEOXZRLAPV-MWDXBVQZSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NCC[C@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654590642 452676832 /nfs/dbraw/zinc/67/68/32/452676832.db2.gz HEUNAEOXZRLAPV-MWDXBVQZSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCN2C[C@@H](C)OC[C@@H]2C)C1 ZINC000664002438 452704144 /nfs/dbraw/zinc/70/41/44/452704144.db2.gz GJIDXDIKQPDKDG-GVDBMIGSSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000652611126 452771864 /nfs/dbraw/zinc/77/18/64/452771864.db2.gz YNGUSUNTSLLAAH-OAHLLOKOSA-N 2 1 333.480 1.997 20 0 EDADMP O=C([C@@H]1CC[NH2+]CC1(F)F)N(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000648114705 452831118 /nfs/dbraw/zinc/83/11/18/452831118.db2.gz BFPKBSBNQLAFLG-GJZGRUSLSA-N 2 1 338.402 1.265 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654734994 452859820 /nfs/dbraw/zinc/85/98/20/452859820.db2.gz OBZLTHSUDSFALB-YESZJQIVSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654734994 452859827 /nfs/dbraw/zinc/85/98/27/452859827.db2.gz OBZLTHSUDSFALB-YESZJQIVSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654734994 452859830 /nfs/dbraw/zinc/85/98/30/452859830.db2.gz OBZLTHSUDSFALB-YESZJQIVSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654734992 452860748 /nfs/dbraw/zinc/86/07/48/452860748.db2.gz OBZLTHSUDSFALB-ULQDDVLXSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654734992 452860756 /nfs/dbraw/zinc/86/07/56/452860756.db2.gz OBZLTHSUDSFALB-ULQDDVLXSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654734992 452860760 /nfs/dbraw/zinc/86/07/60/452860760.db2.gz OBZLTHSUDSFALB-ULQDDVLXSA-N 2 1 338.496 1.149 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CCC[N@H+]1C ZINC000648175936 452887843 /nfs/dbraw/zinc/88/78/43/452887843.db2.gz GMYPWRYTDBJOPV-QBYUYEEZSA-N 2 1 333.480 1.294 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000654758956 452890342 /nfs/dbraw/zinc/89/03/42/452890342.db2.gz XTTZNXXVDLYBRV-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000654758956 452890348 /nfs/dbraw/zinc/89/03/48/452890348.db2.gz XTTZNXXVDLYBRV-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000654758956 452890354 /nfs/dbraw/zinc/89/03/54/452890354.db2.gz XTTZNXXVDLYBRV-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCS[C@H]1C ZINC000645915856 452897178 /nfs/dbraw/zinc/89/71/78/452897178.db2.gz HHVUFHIEWMEVHF-ARFHVFGLSA-N 2 1 342.553 1.938 20 0 EDADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccn(C(C)(C)C)n3)C2)CC1 ZINC000654775383 452908383 /nfs/dbraw/zinc/90/83/83/452908383.db2.gz KUTJTKVOMPTFFH-AWEZNQCLSA-N 2 1 333.480 1.536 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccn(C(C)(C)C)n3)C2)CC1 ZINC000654775383 452908385 /nfs/dbraw/zinc/90/83/85/452908385.db2.gz KUTJTKVOMPTFFH-AWEZNQCLSA-N 2 1 333.480 1.536 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000652813423 452973293 /nfs/dbraw/zinc/97/32/93/452973293.db2.gz CPJAXHWXWWDDAD-CEXWTWQISA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000652813423 452973307 /nfs/dbraw/zinc/97/33/07/452973307.db2.gz CPJAXHWXWWDDAD-CEXWTWQISA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000652813423 452973318 /nfs/dbraw/zinc/97/33/18/452973318.db2.gz CPJAXHWXWWDDAD-CEXWTWQISA-N 2 1 343.471 1.583 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000652814138 452973883 /nfs/dbraw/zinc/97/38/83/452973883.db2.gz RXWOHBOENKZNMH-RBUKOAKNSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000652814138 452973891 /nfs/dbraw/zinc/97/38/91/452973891.db2.gz RXWOHBOENKZNMH-RBUKOAKNSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000652814138 452973901 /nfs/dbraw/zinc/97/39/01/452973901.db2.gz RXWOHBOENKZNMH-RBUKOAKNSA-N 2 1 345.487 1.829 20 0 EDADMP O=C(c1cccc(F)c1)N1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250331 452976228 /nfs/dbraw/zinc/97/62/28/452976228.db2.gz FXJOXKQHMKEKLQ-QGZVFWFLSA-N 2 1 347.434 1.495 20 0 EDADMP Cc1cc(CN2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)no1 ZINC000662257275 452985930 /nfs/dbraw/zinc/98/59/30/452985930.db2.gz CFEBGTWSYDSEQB-UHFFFAOYSA-N 2 1 326.444 1.947 20 0 EDADMP C[C@@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662294424 453016215 /nfs/dbraw/zinc/01/62/15/453016215.db2.gz WBKMWUPEESMRNF-GXTWGEPZSA-N 2 1 333.484 1.292 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666633517 453026840 /nfs/dbraw/zinc/02/68/40/453026840.db2.gz HCTLJBHYQYELAC-OAHLLOKOSA-N 2 1 346.475 1.855 20 0 EDADMP O=C(NCCNc1cc[nH+]cc1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666664910 453051446 /nfs/dbraw/zinc/05/14/46/453051446.db2.gz PRMNAZRKIIEUMC-INIZCTEOSA-N 2 1 331.464 1.622 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)nn1C ZINC000662336353 453052853 /nfs/dbraw/zinc/05/28/53/453052853.db2.gz CQETUFGWNVEJDQ-HNNXBMFYSA-N 2 1 343.479 1.241 20 0 EDADMP Nc1cccc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000662338251 453056580 /nfs/dbraw/zinc/05/65/80/453056580.db2.gz PJMGYHNRIXWQDC-MRXNPFEDSA-N 2 1 340.475 1.781 20 0 EDADMP C[C@@H](C[NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000648442320 453088758 /nfs/dbraw/zinc/08/87/58/453088758.db2.gz LVPYHESPEFYVFA-ZFWWWQNUSA-N 2 1 333.457 1.995 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000662383724 453092551 /nfs/dbraw/zinc/09/25/51/453092551.db2.gz MQRPSSWURKWHGX-QZTJIDSGSA-N 2 1 332.492 1.479 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000662383724 453092558 /nfs/dbraw/zinc/09/25/58/453092558.db2.gz MQRPSSWURKWHGX-QZTJIDSGSA-N 2 1 332.492 1.479 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000662383724 453092566 /nfs/dbraw/zinc/09/25/66/453092566.db2.gz MQRPSSWURKWHGX-QZTJIDSGSA-N 2 1 332.492 1.479 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000650900864 453100049 /nfs/dbraw/zinc/10/00/49/453100049.db2.gz SKGBUPITNFYBFF-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000646105889 453109214 /nfs/dbraw/zinc/10/92/14/453109214.db2.gz KPZGHLBLFJJEGT-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000666754238 453118052 /nfs/dbraw/zinc/11/80/52/453118052.db2.gz JDQIRWIVTBHBFD-YESZJQIVSA-N 2 1 340.512 1.203 20 0 EDADMP C[N@H+](CCNC(=O)[C@H]([NH3+])c1ccccc1Br)C1CC1 ZINC000662409922 453120077 /nfs/dbraw/zinc/12/00/77/453120077.db2.gz SQRSNWISKNOICQ-CYBMUJFWSA-N 2 1 326.238 1.659 20 0 EDADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])c1ccccc1Br)C1CC1 ZINC000662409922 453120083 /nfs/dbraw/zinc/12/00/83/453120083.db2.gz SQRSNWISKNOICQ-CYBMUJFWSA-N 2 1 326.238 1.659 20 0 EDADMP [NH3+][C@H](C(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1Br ZINC000662412531 453121860 /nfs/dbraw/zinc/12/18/60/453121860.db2.gz NFHTUXHRDIWJHI-MFKMUULPSA-N 2 1 326.238 1.565 20 0 EDADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000646139699 453148030 /nfs/dbraw/zinc/14/80/30/453148030.db2.gz FYGDDPHMJFVEFC-AEFFLSMTSA-N 2 1 333.476 1.319 20 0 EDADMP CN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000652989900 453177955 /nfs/dbraw/zinc/17/79/55/453177955.db2.gz ZHDCDXKZKUJSJA-GOSISDBHSA-N 2 1 330.476 1.990 20 0 EDADMP CN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000652989900 453177963 /nfs/dbraw/zinc/17/79/63/453177963.db2.gz ZHDCDXKZKUJSJA-GOSISDBHSA-N 2 1 330.476 1.990 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc(-c3ccc(C[NH3+])cc3)nn2)C1 ZINC000656448098 453188931 /nfs/dbraw/zinc/18/89/31/453188931.db2.gz GGHSXJBNSMGSNJ-KRWDZBQOSA-N 2 1 329.448 1.761 20 0 EDADMP CC(C)[C@@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)N1CC[NH+](C)CC1 ZINC000662479392 453192451 /nfs/dbraw/zinc/19/24/51/453192451.db2.gz HNPNYAUWABPRQP-RTBURBONSA-N 2 1 344.503 1.609 20 0 EDADMP [NH3+]CCc1ccccc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000653059102 453236861 /nfs/dbraw/zinc/23/68/61/453236861.db2.gz USXWIQZHNIKDIR-UHFFFAOYSA-N 2 1 345.487 1.953 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000664630442 453267635 /nfs/dbraw/zinc/26/76/35/453267635.db2.gz RUGHPGASODRNRC-HOTGVXAUSA-N 2 1 339.528 1.208 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000664630442 453267643 /nfs/dbraw/zinc/26/76/43/453267643.db2.gz RUGHPGASODRNRC-HOTGVXAUSA-N 3 1 339.528 1.208 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000664630442 453267649 /nfs/dbraw/zinc/26/76/49/453267649.db2.gz RUGHPGASODRNRC-HOTGVXAUSA-N 3 1 339.528 1.208 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000664630442 453267654 /nfs/dbraw/zinc/26/76/54/453267654.db2.gz RUGHPGASODRNRC-HOTGVXAUSA-N 3 1 339.528 1.208 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000664630442 453267661 /nfs/dbraw/zinc/26/76/61/453267661.db2.gz RUGHPGASODRNRC-HOTGVXAUSA-N 3 1 339.528 1.208 20 0 EDADMP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662544154 453272072 /nfs/dbraw/zinc/27/20/72/453272072.db2.gz YWNUMYVDLTWZEB-BXUZGUMPSA-N 2 1 340.265 1.859 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000666974263 453290762 /nfs/dbraw/zinc/29/07/62/453290762.db2.gz MGGTZUIDZUILBF-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H](CCC[NH3+])NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662568767 453295925 /nfs/dbraw/zinc/29/59/25/453295925.db2.gz SSPUUNLZNSKAGN-ZETCQYMHSA-N 2 1 332.267 1.971 20 0 EDADMP CC[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[N@H+]1CCc2ccccc2C1 ZINC000653109820 453296287 /nfs/dbraw/zinc/29/62/87/453296287.db2.gz NZCJIEXANISWHI-NSHGMRRFSA-N 2 1 343.471 1.176 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H](N)CC[NH+](C)C)cc2)C1 ZINC000653123135 453314835 /nfs/dbraw/zinc/31/48/35/453314835.db2.gz OXCHTBUWYCDTQV-CRAIPNDOSA-N 2 1 348.491 1.625 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H]1c1ccc(Cl)cc1 ZINC000653154199 453342280 /nfs/dbraw/zinc/34/22/80/453342280.db2.gz LDHNBIRLMNAXSW-ZDRJDWQYSA-N 2 1 349.862 1.437 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H]1c1ccc(Cl)cc1 ZINC000653154199 453342291 /nfs/dbraw/zinc/34/22/91/453342291.db2.gz LDHNBIRLMNAXSW-ZDRJDWQYSA-N 2 1 349.862 1.437 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000648871512 453347828 /nfs/dbraw/zinc/34/78/28/453347828.db2.gz RHGHWGUPVNLMJE-HUUCEWRRSA-N 2 1 336.480 1.700 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000648871512 453347833 /nfs/dbraw/zinc/34/78/33/453347833.db2.gz RHGHWGUPVNLMJE-HUUCEWRRSA-N 2 1 336.480 1.700 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cn(-c4ccccc4)nn3)CC2)C1 ZINC000667054069 453370700 /nfs/dbraw/zinc/37/07/00/453370700.db2.gz CVMOKSRQPXRTGG-VQIMIIECSA-N 2 1 341.459 1.986 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000656697744 453373897 /nfs/dbraw/zinc/37/38/97/453373897.db2.gz FZNMLZMRYJSDJE-PKOBYXMFSA-N 2 1 347.503 1.830 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000656697744 453373909 /nfs/dbraw/zinc/37/39/09/453373909.db2.gz FZNMLZMRYJSDJE-PKOBYXMFSA-N 2 1 347.503 1.830 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000656697744 453373919 /nfs/dbraw/zinc/37/39/19/453373919.db2.gz FZNMLZMRYJSDJE-PKOBYXMFSA-N 2 1 347.503 1.830 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000656697744 453373929 /nfs/dbraw/zinc/37/39/29/453373929.db2.gz FZNMLZMRYJSDJE-PKOBYXMFSA-N 2 1 347.503 1.830 20 0 EDADMP CCn1ccc(CC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)n1 ZINC000651222170 453374813 /nfs/dbraw/zinc/37/48/13/453374813.db2.gz PQAWWFXJVRFYBJ-QGZVFWFLSA-N 2 1 335.496 1.320 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1F ZINC000662695085 453416882 /nfs/dbraw/zinc/41/68/82/453416882.db2.gz FYHFNFGBSSVOBX-CZUORRHYSA-N 2 1 332.379 1.300 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662715370 453439470 /nfs/dbraw/zinc/43/94/70/453439470.db2.gz NGVNRJCRYHWPJJ-GJZGRUSLSA-N 2 1 334.468 1.197 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000662740996 453466748 /nfs/dbraw/zinc/46/67/48/453466748.db2.gz BQHZQZQQQPSJNI-SFHVURJKSA-N 2 1 330.476 1.061 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000662740996 453466753 /nfs/dbraw/zinc/46/67/53/453466753.db2.gz BQHZQZQQQPSJNI-SFHVURJKSA-N 2 1 330.476 1.061 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662748375 453477481 /nfs/dbraw/zinc/47/74/81/453477481.db2.gz RNBBSVBXYKYWPW-CVEARBPZSA-N 2 1 348.495 1.397 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1COc2ccccc21 ZINC000664914960 453480251 /nfs/dbraw/zinc/48/02/51/453480251.db2.gz CUGOOVUHKLXHJI-JKSUJKDBSA-N 2 1 348.491 1.734 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1COc2ccccc21 ZINC000664914960 453480253 /nfs/dbraw/zinc/48/02/53/453480253.db2.gz CUGOOVUHKLXHJI-JKSUJKDBSA-N 2 1 348.491 1.734 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662754663 453491801 /nfs/dbraw/zinc/49/18/01/453491801.db2.gz TUIUGMZTQWNWNJ-BRSBDYLESA-N 2 1 331.460 1.520 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662754663 453491805 /nfs/dbraw/zinc/49/18/05/453491805.db2.gz TUIUGMZTQWNWNJ-BRSBDYLESA-N 2 1 331.460 1.520 20 0 EDADMP COc1cccc(COC[C@H](O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660657557 453491885 /nfs/dbraw/zinc/49/18/85/453491885.db2.gz YBMMSLSWJUPRPI-UYAOXDASSA-N 2 1 348.487 1.990 20 0 EDADMP COc1cccc(COC[C@H](O)C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657557 453491891 /nfs/dbraw/zinc/49/18/91/453491891.db2.gz YBMMSLSWJUPRPI-UYAOXDASSA-N 2 1 348.487 1.990 20 0 EDADMP COc1cccc(COC[C@H](O)C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660657557 453491896 /nfs/dbraw/zinc/49/18/96/453491896.db2.gz YBMMSLSWJUPRPI-UYAOXDASSA-N 2 1 348.487 1.990 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000660692346 453517320 /nfs/dbraw/zinc/51/73/20/453517320.db2.gz OTYSJQNMMHQKIM-NVXWUHKLSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662793412 453529203 /nfs/dbraw/zinc/52/92/03/453529203.db2.gz GZSGPGKJPJWFKT-HOCLYGCPSA-N 2 1 332.448 1.698 20 0 EDADMP CCC[C@@H]1CN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC[N@@H+]1CCOC ZINC000662825734 453553359 /nfs/dbraw/zinc/55/33/59/453553359.db2.gz MSPXNWLLSKUYRA-CYBMUJFWSA-N 2 1 338.452 1.441 20 0 EDADMP CCC[C@@H]1CN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC[N@H+]1CCOC ZINC000662825734 453553364 /nfs/dbraw/zinc/55/33/64/453553364.db2.gz MSPXNWLLSKUYRA-CYBMUJFWSA-N 2 1 338.452 1.441 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000667325735 453557800 /nfs/dbraw/zinc/55/78/00/453557800.db2.gz DBMKMTKTJHMZJG-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000667325735 453557805 /nfs/dbraw/zinc/55/78/05/453557805.db2.gz DBMKMTKTJHMZJG-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000667325735 453557809 /nfs/dbraw/zinc/55/78/09/453557809.db2.gz DBMKMTKTJHMZJG-IPMKNSEASA-N 2 1 342.487 1.997 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1csnn1 ZINC000665150127 453592312 /nfs/dbraw/zinc/59/23/12/453592312.db2.gz QRPNKEQBEUOFTF-NWDGAFQWSA-N 2 1 328.486 1.170 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1csnn1 ZINC000665150127 453592316 /nfs/dbraw/zinc/59/23/16/453592316.db2.gz QRPNKEQBEUOFTF-NWDGAFQWSA-N 2 1 328.486 1.170 20 0 EDADMP CN(C(=O)CCC1CC[NH2+]CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900519 453593231 /nfs/dbraw/zinc/59/32/31/453593231.db2.gz MQMCXJKRRXYTEJ-GOSISDBHSA-N 2 1 336.524 1.393 20 0 EDADMP CN(C(=O)CCC1CC[NH2+]CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900519 453593234 /nfs/dbraw/zinc/59/32/34/453593234.db2.gz MQMCXJKRRXYTEJ-GOSISDBHSA-N 2 1 336.524 1.393 20 0 EDADMP [NH3+][C@@H](CCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)CC1CCCCC1 ZINC000662908407 453597536 /nfs/dbraw/zinc/59/75/36/453597536.db2.gz UHCPRHGSGVJLAB-ROUUACIJSA-N 2 1 336.524 1.570 20 0 EDADMP [NH3+][C@@H](CCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)CC1CCCCC1 ZINC000662908409 453597704 /nfs/dbraw/zinc/59/77/04/453597704.db2.gz UHCPRHGSGVJLAB-ZWKOTPCHSA-N 2 1 336.524 1.570 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000665217355 453611198 /nfs/dbraw/zinc/61/11/98/453611198.db2.gz GWBNRAPGZAJNBS-KRWDZBQOSA-N 2 1 342.528 1.717 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665246310 453622677 /nfs/dbraw/zinc/62/26/77/453622677.db2.gz BMNOBYYDDPFJAA-CYBMUJFWSA-N 2 1 325.478 1.873 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000659089611 453624930 /nfs/dbraw/zinc/62/49/30/453624930.db2.gz FCSRGIMJVOPSJG-AWEZNQCLSA-N 2 1 332.448 1.320 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659096078 453628971 /nfs/dbraw/zinc/62/89/71/453628971.db2.gz KSGYGKXCQCGVSH-SWLSCSKDSA-N 2 1 332.448 1.634 20 0 EDADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000665292343 453639130 /nfs/dbraw/zinc/63/91/30/453639130.db2.gz YYNNBXDPQBQEIA-XJKSGUPXSA-N 2 1 328.416 1.898 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000662999981 453642730 /nfs/dbraw/zinc/64/27/30/453642730.db2.gz DGMBTHAHHOXCQB-OAHLLOKOSA-N 2 1 346.479 1.054 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000660934325 453652514 /nfs/dbraw/zinc/65/25/14/453652514.db2.gz PORHNKFPXQUIKK-BHYGNILZSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000660934325 453652517 /nfs/dbraw/zinc/65/25/17/453652517.db2.gz PORHNKFPXQUIKK-BHYGNILZSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000660934325 453652521 /nfs/dbraw/zinc/65/25/21/453652521.db2.gz PORHNKFPXQUIKK-BHYGNILZSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000660934325 453652523 /nfs/dbraw/zinc/65/25/23/453652523.db2.gz PORHNKFPXQUIKK-BHYGNILZSA-N 2 1 338.496 1.127 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCO1 ZINC000665355173 453663429 /nfs/dbraw/zinc/66/34/29/453663429.db2.gz LUNGOWFZRPSHAF-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000661006544 453678038 /nfs/dbraw/zinc/67/80/38/453678038.db2.gz XKWDBOXBBOIVMM-INIZCTEOSA-N 2 1 349.479 1.029 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CC3(CCC3)C2)[C@H](C)C1 ZINC000659285311 453700767 /nfs/dbraw/zinc/70/07/67/453700767.db2.gz LWODHGVKNONGPE-HZPDHXFCSA-N 2 1 337.508 1.901 20 0 EDADMP O=C(NCC1CC[NH2+]CC1)c1sc2c(c1Br)C[NH2+]C2 ZINC000659299955 453707558 /nfs/dbraw/zinc/70/75/58/453707558.db2.gz LNZATPVSXJIMMX-UHFFFAOYSA-N 2 1 344.278 1.843 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657346009 453771462 /nfs/dbraw/zinc/77/14/62/453771462.db2.gz CQTYTAGWFGIWGO-UHFFFAOYSA-N 2 1 335.423 1.621 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657347032 453771537 /nfs/dbraw/zinc/77/15/37/453771537.db2.gz MJBKJTAHDPTVIR-KRWDZBQOSA-N 2 1 342.491 1.631 20 0 EDADMP COc1cc(C)[nH+]c(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000663371794 453782044 /nfs/dbraw/zinc/78/20/44/453782044.db2.gz XLERPLJROIEDOF-QGZVFWFLSA-N 2 1 332.448 1.313 20 0 EDADMP COc1cc(C)[nH+]c(CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000663371794 453782045 /nfs/dbraw/zinc/78/20/45/453782045.db2.gz XLERPLJROIEDOF-QGZVFWFLSA-N 2 1 332.448 1.313 20 0 EDADMP C[C@H](CCNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000663542541 453819133 /nfs/dbraw/zinc/81/91/33/453819133.db2.gz CKKLWRCFYFXTIZ-KFWWJZLASA-N 2 1 328.501 1.514 20 0 EDADMP C[C@H](CCNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000663542541 453819135 /nfs/dbraw/zinc/81/91/35/453819135.db2.gz CKKLWRCFYFXTIZ-KFWWJZLASA-N 2 1 328.501 1.514 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)COC1(C)C[NH2+]C1 ZINC000382725513 486696161 /nfs/dbraw/zinc/69/61/61/486696161.db2.gz SHAPIYCLQQEBIE-INIZCTEOSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676348039 486744555 /nfs/dbraw/zinc/74/45/55/486744555.db2.gz NDYLLDLFAQIXJM-RYQLBKOJSA-N 2 1 346.475 1.129 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676348039 486744561 /nfs/dbraw/zinc/74/45/61/486744561.db2.gz NDYLLDLFAQIXJM-RYQLBKOJSA-N 2 1 346.475 1.129 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676348039 486744564 /nfs/dbraw/zinc/74/45/64/486744564.db2.gz NDYLLDLFAQIXJM-RYQLBKOJSA-N 2 1 346.475 1.129 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676348039 486744569 /nfs/dbraw/zinc/74/45/69/486744569.db2.gz NDYLLDLFAQIXJM-RYQLBKOJSA-N 2 1 346.475 1.129 20 0 EDADMP CC(C)[NH+](CCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C(C)C ZINC000672668304 486757254 /nfs/dbraw/zinc/75/72/54/486757254.db2.gz SQEJVDRZNJLFMT-UHFFFAOYSA-N 2 1 328.501 1.203 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000417285046 486796201 /nfs/dbraw/zinc/79/62/01/486796201.db2.gz GEFGWHFAJVHUFD-KLAILNCOSA-N 2 1 339.528 1.232 20 0 EDADMP CC[N@H+](CCO)CCNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000681115502 486943138 /nfs/dbraw/zinc/94/31/38/486943138.db2.gz MIOGUKBOCRKUEM-UHFFFAOYSA-N 2 1 349.479 1.104 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000681115502 486943141 /nfs/dbraw/zinc/94/31/41/486943141.db2.gz MIOGUKBOCRKUEM-UHFFFAOYSA-N 2 1 349.479 1.104 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnc3c(c2)C[NH2+]CC3)[C@H](C)C1 ZINC000667799542 486970579 /nfs/dbraw/zinc/97/05/79/486970579.db2.gz XQMILADSTMMXEY-DYVFJYSZSA-N 2 1 331.464 1.921 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000684184232 486972962 /nfs/dbraw/zinc/97/29/62/486972962.db2.gz RONLAKYUHOZZJD-IAGOWNOFSA-N 2 1 349.450 1.885 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC000667812457 486977976 /nfs/dbraw/zinc/97/79/76/486977976.db2.gz NCYJOJSHRHGJLP-HUUCEWRRSA-N 2 1 348.495 1.099 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000681250467 486990056 /nfs/dbraw/zinc/99/00/56/486990056.db2.gz GTNBWEVPMUALHH-HZPDHXFCSA-N 2 1 325.497 1.866 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC)C1 ZINC000673775902 487111966 /nfs/dbraw/zinc/11/19/66/487111966.db2.gz FIEXCFYVJXOJSK-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP Cn1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1=O ZINC000681711189 487139449 /nfs/dbraw/zinc/13/94/49/487139449.db2.gz AWHXWVLGQRGMCK-HXUWFJFHSA-N 2 1 341.455 1.454 20 0 EDADMP Cn1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1=O ZINC000681711189 487139456 /nfs/dbraw/zinc/13/94/56/487139456.db2.gz AWHXWVLGQRGMCK-HXUWFJFHSA-N 2 1 341.455 1.454 20 0 EDADMP Cn1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1=O ZINC000681711189 487139459 /nfs/dbraw/zinc/13/94/59/487139459.db2.gz AWHXWVLGQRGMCK-HXUWFJFHSA-N 2 1 341.455 1.454 20 0 EDADMP Cn1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1=O ZINC000681711189 487139463 /nfs/dbraw/zinc/13/94/63/487139463.db2.gz AWHXWVLGQRGMCK-HXUWFJFHSA-N 2 1 341.455 1.454 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC000677712644 487155505 /nfs/dbraw/zinc/15/55/05/487155505.db2.gz RSXMMGHWIFLYCZ-UHFFFAOYSA-N 2 1 338.540 1.735 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccn(C)n1 ZINC000674323163 487236200 /nfs/dbraw/zinc/23/62/00/487236200.db2.gz JVSZRPJWDFWUBC-UHFFFAOYSA-N 2 1 347.507 1.688 20 0 EDADMP COC1CC[NH+](CCNC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000674328721 487237631 /nfs/dbraw/zinc/23/76/31/487237631.db2.gz YDJYBCTVLUSBIL-HOTGVXAUSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCNC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000674677400 487296702 /nfs/dbraw/zinc/29/67/02/487296702.db2.gz JCLCNHAUZUVCRM-UHFFFAOYSA-N 2 1 325.497 1.727 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000685591168 487300303 /nfs/dbraw/zinc/30/03/03/487300303.db2.gz RRLRREDMLNUYPF-UHFFFAOYSA-N 2 1 333.542 1.710 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000683000078 487440382 /nfs/dbraw/zinc/44/03/82/487440382.db2.gz WNGMGOXLTMRVSX-QGZVFWFLSA-N 2 1 331.460 1.824 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000502559152 487458220 /nfs/dbraw/zinc/45/82/20/487458220.db2.gz NDXLLJKDJSONPJ-BZSNNMDCSA-N 2 1 337.508 1.963 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NCC[NH+]2CCC(OC)CC2)[C@@H](C)C1 ZINC000675929584 487459469 /nfs/dbraw/zinc/45/94/69/487459469.db2.gz SCMWBCYCRXQLGA-HKUYNNGSSA-N 2 1 341.540 1.824 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCC(OC)CC2)[C@@H](C)C1 ZINC000675929584 487459471 /nfs/dbraw/zinc/45/94/71/487459471.db2.gz SCMWBCYCRXQLGA-HKUYNNGSSA-N 2 1 341.540 1.824 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCC(OC)CC2)[C@@H](C)C1 ZINC000675929584 487459473 /nfs/dbraw/zinc/45/94/73/487459473.db2.gz SCMWBCYCRXQLGA-HKUYNNGSSA-N 2 1 341.540 1.824 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000669528965 485503949 /nfs/dbraw/zinc/50/39/49/485503949.db2.gz XXXVWUUDBVBCSQ-RNJTYBCJSA-N 2 1 328.460 1.524 20 0 EDADMP Cc1ccc(CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000669555902 485557979 /nfs/dbraw/zinc/55/79/79/485557979.db2.gz NUUPKEJSTIPHIQ-GOEBONIOSA-N 2 1 347.463 1.248 20 0 EDADMP [NH3+]C/C=C/CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000669570381 485589556 /nfs/dbraw/zinc/58/95/56/485589556.db2.gz CNXZVBYEEKUCCM-LAQIPUCWSA-N 2 1 332.448 1.092 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000669570887 485592040 /nfs/dbraw/zinc/59/20/40/485592040.db2.gz HVRLZPSLAGOGPP-OAGGEKHMSA-N 2 1 326.485 1.256 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000325057122 485638133 /nfs/dbraw/zinc/63/81/33/485638133.db2.gz PYZRXWOEOFNDOO-ZWKOTPCHSA-N 2 1 331.460 1.510 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)CCOC(C)(C)C)C1 ZINC000676042859 485904357 /nfs/dbraw/zinc/90/43/57/485904357.db2.gz FKUJZVXJJDESRH-MRXNPFEDSA-N 2 1 343.512 1.206 20 0 EDADMP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000327436567 485972732 /nfs/dbraw/zinc/97/27/32/485972732.db2.gz PYQWXTVHMIJNAV-CQSZACIVSA-N 2 1 343.431 1.332 20 0 EDADMP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000327436567 485972736 /nfs/dbraw/zinc/97/27/36/485972736.db2.gz PYQWXTVHMIJNAV-CQSZACIVSA-N 2 1 343.431 1.332 20 0 EDADMP [NH3+]C1(CC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CCC1 ZINC000237809166 486007321 /nfs/dbraw/zinc/00/73/21/486007321.db2.gz JGJVPWNBOYYZNU-UHFFFAOYSA-N 2 1 337.386 1.371 20 0 EDADMP C[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000515669457 486060651 /nfs/dbraw/zinc/06/06/51/486060651.db2.gz ZXZKIWVGPFEWEM-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000515669457 486060656 /nfs/dbraw/zinc/06/06/56/486060656.db2.gz ZXZKIWVGPFEWEM-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NC[C@H]1CCCC[NH2+]1 ZINC000668750028 486149405 /nfs/dbraw/zinc/14/94/05/486149405.db2.gz LOJZUVDYSTXGRY-GOSISDBHSA-N 2 1 346.475 1.460 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000669484229 486249801 /nfs/dbraw/zinc/24/98/01/486249801.db2.gz KTEXSGLQCHJRIS-ZOBUZTSGSA-N 2 1 337.512 1.066 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000669484229 486249803 /nfs/dbraw/zinc/24/98/03/486249803.db2.gz KTEXSGLQCHJRIS-ZOBUZTSGSA-N 2 1 337.512 1.066 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669491341 486263730 /nfs/dbraw/zinc/26/37/30/486263730.db2.gz WBXISBVEENIEDG-FGTMMUONSA-N 2 1 334.508 1.892 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000669491553 486264480 /nfs/dbraw/zinc/26/44/80/486264480.db2.gz YSWGABSSHLSLAV-BBWFWOEESA-N 2 1 338.496 1.128 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000381602319 486645161 /nfs/dbraw/zinc/64/51/61/486645161.db2.gz LEVOBMUKQAHFRZ-HOCLYGCPSA-N 2 1 341.377 1.919 20 0 EDADMP C[NH+](C)C[C@@H](NC(=O)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000670172812 486648766 /nfs/dbraw/zinc/64/87/66/486648766.db2.gz FIRFOFAGQZPCMX-MRXNPFEDSA-N 2 1 338.883 1.306 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000120898106 490998518 /nfs/dbraw/zinc/99/85/18/490998518.db2.gz QVWJCRAPTNHVNY-ZBFHGGJFSA-N 2 1 336.484 1.639 20 0 EDADMP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000422837283 517380220 /nfs/dbraw/zinc/38/02/20/517380220.db2.gz LTZOJKVHKCCRFZ-IRXDYDNUSA-N 2 1 338.540 1.863 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@@H]1C ZINC000168038400 528735954 /nfs/dbraw/zinc/73/59/54/528735954.db2.gz MDZKQNHGTDHMTB-HNNXBMFYSA-N 2 1 331.460 1.052 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@@H]1C ZINC000168038400 528735958 /nfs/dbraw/zinc/73/59/58/528735958.db2.gz MDZKQNHGTDHMTB-HNNXBMFYSA-N 2 1 331.460 1.052 20 0 EDADMP CCC(CC)(C[NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000261800390 534935800 /nfs/dbraw/zinc/93/58/00/534935800.db2.gz LSMACCUWXYRYDF-INIZCTEOSA-N 2 1 346.475 1.840 20 0 EDADMP CCC(CC)(C[NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000261800390 534935809 /nfs/dbraw/zinc/93/58/09/534935809.db2.gz LSMACCUWXYRYDF-INIZCTEOSA-N 2 1 346.475 1.840 20 0 EDADMP CCCc1csc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000261913449 535446026 /nfs/dbraw/zinc/44/60/26/535446026.db2.gz JPDDGKVBGQDVHS-AWEZNQCLSA-N 2 1 336.505 1.739 20 0 EDADMP CCCc1csc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000261913449 535446027 /nfs/dbraw/zinc/44/60/27/535446027.db2.gz JPDDGKVBGQDVHS-AWEZNQCLSA-N 2 1 336.505 1.739 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000339861490 535594924 /nfs/dbraw/zinc/59/49/24/535594924.db2.gz QVSYZKFQTVFCLW-HOCLYGCPSA-N 2 1 336.484 1.528 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245519719 535645820 /nfs/dbraw/zinc/64/58/20/535645820.db2.gz IVPXGCAUXGXNRP-RCCFBDPRSA-N 2 1 338.540 1.782 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245519719 535645826 /nfs/dbraw/zinc/64/58/26/535645826.db2.gz IVPXGCAUXGXNRP-RCCFBDPRSA-N 2 1 338.540 1.782 20 0 EDADMP CC[NH+]1CCN([C@@H]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000271245533 535738570 /nfs/dbraw/zinc/73/85/70/535738570.db2.gz CJQWMHHGYDAWSC-NHCUHLMSSA-N 2 1 342.531 1.973 20 0 EDADMP C[NH2+][C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000262444694 536335750 /nfs/dbraw/zinc/33/57/50/536335750.db2.gz VHSFVZSFBGGCFQ-QZTJIDSGSA-N 2 1 341.459 1.461 20 0 EDADMP C[NH2+][C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000262444694 536335752 /nfs/dbraw/zinc/33/57/52/536335752.db2.gz VHSFVZSFBGGCFQ-QZTJIDSGSA-N 2 1 341.459 1.461 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333624539 536374999 /nfs/dbraw/zinc/37/49/99/536374999.db2.gz AIEYQJWZPQJJBT-HRCADAONSA-N 2 1 338.496 1.127 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333624539 536375000 /nfs/dbraw/zinc/37/50/00/536375000.db2.gz AIEYQJWZPQJJBT-HRCADAONSA-N 2 1 338.496 1.127 20 0 EDADMP C[NH2+][C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)c1cnn(C)c1 ZINC000262388491 536380302 /nfs/dbraw/zinc/38/03/02/536380302.db2.gz NWTCCWUCIHXZEJ-JZXOWHBKSA-N 2 1 347.507 1.794 20 0 EDADMP C[NH2+][C@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnn(C)c1 ZINC000262315579 536381224 /nfs/dbraw/zinc/38/12/24/536381224.db2.gz DKWDIYBQGUDUFX-FMKPAKJESA-N 2 1 335.496 1.553 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccc(C[NH+](C)C)cc2)[N@@H+](C)C1 ZINC000346007923 536777807 /nfs/dbraw/zinc/77/78/07/536777807.db2.gz IHDBEOWTAUGLIA-ROUUACIJSA-N 2 1 348.491 1.609 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000247313771 536861059 /nfs/dbraw/zinc/86/10/59/536861059.db2.gz MBDCRNANJFWQRY-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000247313771 536861065 /nfs/dbraw/zinc/86/10/65/536861065.db2.gz MBDCRNANJFWQRY-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000247313771 536861073 /nfs/dbraw/zinc/86/10/73/536861073.db2.gz MBDCRNANJFWQRY-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP COC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262222063 536864844 /nfs/dbraw/zinc/86/48/44/536864844.db2.gz FSUZALBQVHCZSN-CQDKDKBSSA-N 2 1 343.830 1.562 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000741944070 579431889 /nfs/dbraw/zinc/43/18/89/579431889.db2.gz XAIDVNXPWOMFSS-UHFFFAOYSA-N 2 1 343.431 1.771 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000729599112 578584017 /nfs/dbraw/zinc/58/40/17/578584017.db2.gz GYRIVNXUCTYXAO-UHFFFAOYSA-N 2 1 342.447 1.717 20 0 EDADMP C[C@H](CNC(=S)NCC1CC[NH+](C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000760474305 580031568 /nfs/dbraw/zinc/03/15/68/580031568.db2.gz ILHRORNBYVTCHC-LSDHHAIUSA-N 2 1 326.554 1.913 20 0 EDADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=S)NCCC[NH+]1CCOCC1 ZINC000733210154 578752034 /nfs/dbraw/zinc/75/20/34/578752034.db2.gz SOGXPCUEWGIADD-MRXNPFEDSA-N 2 1 342.553 1.437 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=S)NCCC[NH+]1CCOCC1 ZINC000733210154 578752035 /nfs/dbraw/zinc/75/20/35/578752035.db2.gz SOGXPCUEWGIADD-MRXNPFEDSA-N 2 1 342.553 1.437 20 0 EDADMP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000734280654 578805101 /nfs/dbraw/zinc/80/51/01/578805101.db2.gz ODTPQDIVHYQVNW-QGZVFWFLSA-N 2 1 336.480 1.119 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[N@@H+](C)Cc1ccccc1 ZINC000735855714 578929457 /nfs/dbraw/zinc/92/94/57/578929457.db2.gz NVLDCQMMOPIJSG-BPQIPLTHSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+](C)Cc1ccccc1 ZINC000735855714 578929458 /nfs/dbraw/zinc/92/94/58/578929458.db2.gz NVLDCQMMOPIJSG-BPQIPLTHSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+](C)Cc1ccccc1 ZINC000735855714 578929459 /nfs/dbraw/zinc/92/94/59/578929459.db2.gz NVLDCQMMOPIJSG-BPQIPLTHSA-N 2 1 331.460 1.486 20 0 EDADMP COc1ccc(COC[C@@H](O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000735870598 578934578 /nfs/dbraw/zinc/93/45/78/578934578.db2.gz MVTHMWSWKYVLIQ-MSOLQXFVSA-N 2 1 336.476 1.846 20 0 EDADMP COc1ccc(COC[C@@H](O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000735870598 578934579 /nfs/dbraw/zinc/93/45/79/578934579.db2.gz MVTHMWSWKYVLIQ-MSOLQXFVSA-N 2 1 336.476 1.846 20 0 EDADMP COc1ccc(COC[C@@H](O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000735870598 578934580 /nfs/dbraw/zinc/93/45/80/578934580.db2.gz MVTHMWSWKYVLIQ-MSOLQXFVSA-N 2 1 336.476 1.846 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736141616 578956728 /nfs/dbraw/zinc/95/67/28/578956728.db2.gz AADKMLQDMRUCGB-KGLIPLIRSA-N 2 1 344.463 1.705 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736141616 578956729 /nfs/dbraw/zinc/95/67/29/578956729.db2.gz AADKMLQDMRUCGB-KGLIPLIRSA-N 2 1 344.463 1.705 20 0 EDADMP c1cc(N2CCCC2)nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)[nH+]1 ZINC000736298130 578974067 /nfs/dbraw/zinc/97/40/67/578974067.db2.gz PUXGZWSDNQOAHU-HNNXBMFYSA-N 2 1 331.464 1.990 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)o1 ZINC000747231313 579634574 /nfs/dbraw/zinc/63/45/74/579634574.db2.gz HPFBDVXVNCQXJM-GDBMZVCRSA-N 2 1 335.448 1.714 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C(=O)CC(C)(C)C2=O)C1 ZINC000747470032 579645212 /nfs/dbraw/zinc/64/52/12/579645212.db2.gz JQOJPPCTBTXMRB-CQSZACIVSA-N 2 1 325.453 1.162 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C(=O)CC(C)(C)C2=O)C1 ZINC000747470032 579645213 /nfs/dbraw/zinc/64/52/13/579645213.db2.gz JQOJPPCTBTXMRB-CQSZACIVSA-N 2 1 325.453 1.162 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)CC1 ZINC000777738575 580449179 /nfs/dbraw/zinc/44/91/79/580449179.db2.gz WTTQGIZNWIJZEY-IBGZPJMESA-N 2 1 349.450 1.320 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)CC1 ZINC000777738575 580449180 /nfs/dbraw/zinc/44/91/80/580449180.db2.gz WTTQGIZNWIJZEY-IBGZPJMESA-N 2 1 349.450 1.320 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000749117053 579713714 /nfs/dbraw/zinc/71/37/14/579713714.db2.gz RPLFWEKWKDPNKD-MRXNPFEDSA-N 2 1 341.496 1.774 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000749117053 579713715 /nfs/dbraw/zinc/71/37/15/579713715.db2.gz RPLFWEKWKDPNKD-MRXNPFEDSA-N 2 1 341.496 1.774 20 0 EDADMP CC(C)(CNC(=O)CC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000750867375 579784824 /nfs/dbraw/zinc/78/48/24/579784824.db2.gz RLRGBNVQNZWVFU-UHFFFAOYSA-N 2 1 345.487 1.662 20 0 EDADMP CC(C)(CNC(=O)CC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000750867375 579784826 /nfs/dbraw/zinc/78/48/26/579784826.db2.gz RLRGBNVQNZWVFU-UHFFFAOYSA-N 2 1 345.487 1.662 20 0 EDADMP COCCS(=O)(=O)CCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754466602 579904036 /nfs/dbraw/zinc/90/40/36/579904036.db2.gz XYCGSGVXZXDDMT-HOTGVXAUSA-N 2 1 346.537 1.680 20 0 EDADMP COCCS(=O)(=O)CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754466602 579904037 /nfs/dbraw/zinc/90/40/37/579904037.db2.gz XYCGSGVXZXDDMT-HOTGVXAUSA-N 2 1 346.537 1.680 20 0 EDADMP CCOC(=O)c1cn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)nc1C ZINC000755781079 579934890 /nfs/dbraw/zinc/93/48/90/579934890.db2.gz SAYSMFHWDPTZBI-MRXNPFEDSA-N 2 1 334.464 1.989 20 0 EDADMP CCOC(=O)c1cn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)nc1C ZINC000755781079 579934891 /nfs/dbraw/zinc/93/48/91/579934891.db2.gz SAYSMFHWDPTZBI-MRXNPFEDSA-N 2 1 334.464 1.989 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3cnc(-c4ccccn4)n3)C2)CC1 ZINC000762499741 580076005 /nfs/dbraw/zinc/07/60/05/580076005.db2.gz KHJSNWYVGNOKBR-INIZCTEOSA-N 2 1 326.448 1.961 20 0 EDADMP C[NH+](C)CCCNC(=S)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000763137308 580093770 /nfs/dbraw/zinc/09/37/70/580093770.db2.gz GWZZGBLQJAGRKN-GJZGRUSLSA-N 2 1 328.526 1.046 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000764491867 580121670 /nfs/dbraw/zinc/12/16/70/580121670.db2.gz VNIVTKVRHBGPIS-LSDHHAIUSA-N 2 1 326.554 1.865 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=S)NCCC[NH+](C)C ZINC000764931544 580131541 /nfs/dbraw/zinc/13/15/41/580131541.db2.gz PYAXPZAIRISDFG-NVXWUHKLSA-N 2 1 334.533 1.923 20 0 EDADMP CCOCC[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000772391500 580309087 /nfs/dbraw/zinc/30/90/87/580309087.db2.gz ZXNQWZNUCWCWPW-UHFFFAOYSA-N 2 1 348.491 1.735 20 0 EDADMP CCOCC[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000772391500 580309088 /nfs/dbraw/zinc/30/90/88/580309088.db2.gz ZXNQWZNUCWCWPW-UHFFFAOYSA-N 2 1 348.491 1.735 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000775379052 580389725 /nfs/dbraw/zinc/38/97/25/580389725.db2.gz DFCUHGNEAMICIJ-IPYPFGDCSA-N 2 1 329.535 1.120 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775385804 580389894 /nfs/dbraw/zinc/38/98/94/580389894.db2.gz NEVNUJRNGIJQJZ-KBXIAJHMSA-N 2 1 343.562 1.543 20 0 EDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786801484 580679629 /nfs/dbraw/zinc/67/96/29/580679629.db2.gz RJCSPYNVEAOEEA-PBHICJAKSA-N 2 1 332.448 1.324 20 0 EDADMP CC(C)(CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000790290966 580766086 /nfs/dbraw/zinc/76/60/86/580766086.db2.gz RJPMLMMVNITIPM-CVEARBPZSA-N 2 1 338.496 1.271 20 0 EDADMP CCOC(=O)NC1CCC([NH2+]C2CC[NH+](CCOC)CC2)CC1 ZINC000790747982 580777855 /nfs/dbraw/zinc/77/78/55/580777855.db2.gz RCACFHSDCKLVIP-UHFFFAOYSA-N 2 1 327.469 1.744 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000793022028 580834124 /nfs/dbraw/zinc/83/41/24/580834124.db2.gz MABMTEQIGHFBIN-QGZVFWFLSA-N 2 1 336.480 1.191 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000794394542 580890239 /nfs/dbraw/zinc/89/02/39/580890239.db2.gz ZEQGDWKBUQXYFI-HUUCEWRRSA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000794394542 580890240 /nfs/dbraw/zinc/89/02/40/580890240.db2.gz ZEQGDWKBUQXYFI-HUUCEWRRSA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000794394542 580890241 /nfs/dbraw/zinc/89/02/41/580890241.db2.gz ZEQGDWKBUQXYFI-HUUCEWRRSA-N 2 1 329.485 1.536 20 0 EDADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000796361120 580952026 /nfs/dbraw/zinc/95/20/26/580952026.db2.gz RQFLDZSVVMBWCY-ZRNYENFQSA-N 2 1 330.472 1.948 20 0 EDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000796361120 580952027 /nfs/dbraw/zinc/95/20/27/580952027.db2.gz RQFLDZSVVMBWCY-ZRNYENFQSA-N 2 1 330.472 1.948 20 0 EDADMP C[C@]1(CNC(=O)NCC[NH+]2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798482751 580998849 /nfs/dbraw/zinc/99/88/49/580998849.db2.gz MOKOJVKCOJHQIV-LJQANCHMSA-N 2 1 330.476 1.904 20 0 EDADMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCN(C4CCOCC4)C3=O)C2)CC1 ZINC000799178622 581021423 /nfs/dbraw/zinc/02/14/23/581021423.db2.gz YTPMJQQFDPPFET-KRWDZBQOSA-N 2 1 335.492 1.574 20 0 EDADMP CC(C)C1(C(C)C)NC(=O)N(C[NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000799568353 581031484 /nfs/dbraw/zinc/03/14/84/581031484.db2.gz LRLCQIHSUXMVRJ-UHFFFAOYSA-N 2 1 338.496 1.820 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891906894 590681454 /nfs/dbraw/zinc/68/14/54/590681454.db2.gz VWVKXVDMXRDOJW-GJZGRUSLSA-N 2 1 326.485 1.173 20 0 EDADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NCC1C[NH2+]C1 ZINC000892049770 590772217 /nfs/dbraw/zinc/77/22/17/590772217.db2.gz YZZQXLOVNSPJOY-GOSISDBHSA-N 2 1 330.476 1.902 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000892077696 590788521 /nfs/dbraw/zinc/78/85/21/590788521.db2.gz KAWZWPQYVPIUAK-SZMVWBNQSA-N 2 1 330.476 1.867 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCC34CC(C3)C[NH2+]4)C2)cc1 ZINC000892262721 590894634 /nfs/dbraw/zinc/89/46/34/590894634.db2.gz VDUITJRYEZPALE-TVRKMHQQSA-N 2 1 328.460 1.621 20 0 EDADMP CN1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@@H+](C)CC1 ZINC000888983547 590948847 /nfs/dbraw/zinc/94/88/47/590948847.db2.gz GUYSTKHRSQACQI-UHFFFAOYSA-N 2 1 332.492 1.110 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)NCc3cccc4c3CC[NH2+]C4)C2)C1 ZINC000892329477 590952534 /nfs/dbraw/zinc/95/25/34/590952534.db2.gz BIKFMZAMGXUTBT-FQEVSTJZSA-N 2 1 342.487 1.960 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3C[NH+](C)C[C@H]32)c1 ZINC000892490150 591047060 /nfs/dbraw/zinc/04/70/60/591047060.db2.gz NUYMIPHKARIVJW-QZTJIDSGSA-N 2 1 330.476 1.984 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC000892490150 591047065 /nfs/dbraw/zinc/04/70/65/591047065.db2.gz NUYMIPHKARIVJW-QZTJIDSGSA-N 2 1 330.476 1.984 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000892490150 591047066 /nfs/dbraw/zinc/04/70/66/591047066.db2.gz NUYMIPHKARIVJW-QZTJIDSGSA-N 2 1 330.476 1.984 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000891408244 591068291 /nfs/dbraw/zinc/06/82/91/591068291.db2.gz ZWANBXZFHADKNQ-UHFFFAOYSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000891408244 591068295 /nfs/dbraw/zinc/06/82/95/591068295.db2.gz ZWANBXZFHADKNQ-UHFFFAOYSA-N 2 1 347.507 1.623 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891513555 591100837 /nfs/dbraw/zinc/10/08/37/591100837.db2.gz DVWIYADFMHLPDL-NUJGCVRESA-N 2 1 336.480 1.025 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000891516546 591103315 /nfs/dbraw/zinc/10/33/15/591103315.db2.gz HJMOFSVBZLXYGS-INIZCTEOSA-N 2 1 338.496 1.319 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)Cc1ccccc1 ZINC000891535042 591111829 /nfs/dbraw/zinc/11/18/29/591111829.db2.gz RYFUYPRBFFRXLP-RCCFBDPRSA-N 2 1 330.476 1.505 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)C[NH+]1CCOCC1 ZINC000891582474 591134475 /nfs/dbraw/zinc/13/44/75/591134475.db2.gz FNXWGVWCZMJWLI-GJZGRUSLSA-N 2 1 326.485 1.032 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891642855 591163907 /nfs/dbraw/zinc/16/39/07/591163907.db2.gz AALSZADIGDBCBT-NRSFXHEJSA-N 2 1 330.476 1.934 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892808201 591187100 /nfs/dbraw/zinc/18/71/00/591187100.db2.gz LZBKNCGVZNGFIU-CRAIPNDOSA-N 2 1 330.476 1.684 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000891700288 591190466 /nfs/dbraw/zinc/19/04/66/591190466.db2.gz YEQYJBPOEQIBMQ-GJZGRUSLSA-N 2 1 342.528 1.952 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]C2CCC2)CC1 ZINC000892817561 591192769 /nfs/dbraw/zinc/19/27/69/591192769.db2.gz DZMHQCFHKXNHEE-IAGOWNOFSA-N 2 1 336.480 1.166 20 0 EDADMP COC(=O)c1sccc1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000892927212 591227572 /nfs/dbraw/zinc/22/75/72/591227572.db2.gz CFQJQAYONOOIDQ-CYBMUJFWSA-N 2 1 325.478 1.508 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C1C[NH+](C2CCOCC2)C1 ZINC000895630401 591235922 /nfs/dbraw/zinc/23/59/22/591235922.db2.gz XFDWVDUKZJTZMS-UHFFFAOYSA-N 2 1 343.471 1.272 20 0 EDADMP CCc1[nH]c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1C(=O)OC ZINC000894290068 591267670 /nfs/dbraw/zinc/26/76/70/591267670.db2.gz YTPTZEWJBQASJN-CQSZACIVSA-N 2 1 349.475 1.954 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000895781445 591274050 /nfs/dbraw/zinc/27/40/50/591274050.db2.gz TYULQLNTFUUJHM-FCEWJHQRSA-N 2 1 349.519 1.961 20 0 EDADMP Cn1ncc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1C1CC1 ZINC000894451817 591315522 /nfs/dbraw/zinc/31/55/22/591315522.db2.gz JUDKVSKWFYFFHG-UHFFFAOYSA-N 2 1 345.491 1.284 20 0 EDADMP Cn1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c(C2CC2)n1 ZINC000894601773 591356241 /nfs/dbraw/zinc/35/62/41/591356241.db2.gz YICFMPKJKWNTNE-UHFFFAOYSA-N 2 1 333.480 1.379 20 0 EDADMP CN(C)Cc1ccc(CNCc2cnn(C)n2)c2c1OC(F)(F)O2 ZINC000894763347 591413299 /nfs/dbraw/zinc/41/32/99/591413299.db2.gz ZPGYMPJQHIRDOJ-UHFFFAOYSA-N 2 1 339.346 1.488 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000897442783 591454381 /nfs/dbraw/zinc/45/43/81/591454381.db2.gz IYQLETIDVBRJOF-SOLBZPMBSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000897442783 591454385 /nfs/dbraw/zinc/45/43/85/591454385.db2.gz IYQLETIDVBRJOF-SOLBZPMBSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000897442783 591454390 /nfs/dbraw/zinc/45/43/90/591454390.db2.gz IYQLETIDVBRJOF-SOLBZPMBSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000897470587 591473004 /nfs/dbraw/zinc/47/30/04/591473004.db2.gz HAYVWGHUIFYWKB-HOTGVXAUSA-N 2 1 331.464 1.644 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)CC1 ZINC000897492551 591496610 /nfs/dbraw/zinc/49/66/10/591496610.db2.gz ALTQVHLKNCNPLJ-DYVFJYSZSA-N 2 1 349.479 1.094 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000897492551 591496617 /nfs/dbraw/zinc/49/66/17/591496617.db2.gz ALTQVHLKNCNPLJ-DYVFJYSZSA-N 2 1 349.479 1.094 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000897492551 591496621 /nfs/dbraw/zinc/49/66/21/591496621.db2.gz ALTQVHLKNCNPLJ-DYVFJYSZSA-N 2 1 349.479 1.094 20 0 EDADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000897492551 591496626 /nfs/dbraw/zinc/49/66/26/591496626.db2.gz ALTQVHLKNCNPLJ-DYVFJYSZSA-N 2 1 349.479 1.094 20 0 EDADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000897492551 591496630 /nfs/dbraw/zinc/49/66/30/591496630.db2.gz ALTQVHLKNCNPLJ-DYVFJYSZSA-N 2 1 349.479 1.094 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000897500953 591504296 /nfs/dbraw/zinc/50/42/96/591504296.db2.gz JZIVWKKFAYPJKD-DLBZAZTESA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000897515138 591515243 /nfs/dbraw/zinc/51/52/43/591515243.db2.gz JRTUQYPIPQXKCO-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)[C@H]1C[NH+](C)CCN1C)c1ccccc1 ZINC000896561546 591524670 /nfs/dbraw/zinc/52/46/70/591524670.db2.gz ADTBZCWVTIMGQJ-NXHRZFHOSA-N 2 1 332.492 1.430 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C)c1ccccc1 ZINC000896561546 591524671 /nfs/dbraw/zinc/52/46/71/591524671.db2.gz ADTBZCWVTIMGQJ-NXHRZFHOSA-N 2 1 332.492 1.430 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C)c1ccccc1 ZINC000896561546 591524673 /nfs/dbraw/zinc/52/46/73/591524673.db2.gz ADTBZCWVTIMGQJ-NXHRZFHOSA-N 2 1 332.492 1.430 20 0 EDADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897546038 591545090 /nfs/dbraw/zinc/54/50/90/591545090.db2.gz WGRJUKDMDSWIEV-KRWDZBQOSA-N 2 1 347.507 1.887 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000896607938 591551408 /nfs/dbraw/zinc/55/14/08/591551408.db2.gz BLKXULIQFHJWCG-HRCADAONSA-N 2 1 342.553 1.842 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000897592338 591573263 /nfs/dbraw/zinc/57/32/63/591573263.db2.gz UXAZOSZZUXAWES-RDGPPVDQSA-N 2 1 342.487 1.677 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)[C@H](c2ccccc2)C1 ZINC000897592338 591573267 /nfs/dbraw/zinc/57/32/67/591573267.db2.gz UXAZOSZZUXAWES-RDGPPVDQSA-N 2 1 342.487 1.677 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)[C@H](c2ccccc2)C1 ZINC000897592338 591573270 /nfs/dbraw/zinc/57/32/70/591573270.db2.gz UXAZOSZZUXAWES-RDGPPVDQSA-N 2 1 342.487 1.677 20 0 EDADMP C[C@@H](CNC(=O)N1CCC12CC[NH+](C)CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604411 591816815 /nfs/dbraw/zinc/81/68/15/591816815.db2.gz BDTSUHNVRISRPP-HRCADAONSA-N 2 1 338.496 1.364 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000899952551 591838841 /nfs/dbraw/zinc/83/88/41/591838841.db2.gz JSDRJGFPHJJMMQ-UHFFFAOYSA-N 2 1 338.540 1.783 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000898274514 591848994 /nfs/dbraw/zinc/84/89/94/591848994.db2.gz CPJAXHWXWWDDAD-IPMKNSEASA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000898274514 591848998 /nfs/dbraw/zinc/84/89/98/591848998.db2.gz CPJAXHWXWWDDAD-IPMKNSEASA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000898274514 591849000 /nfs/dbraw/zinc/84/90/00/591849000.db2.gz CPJAXHWXWWDDAD-IPMKNSEASA-N 2 1 343.471 1.583 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000900245401 591952984 /nfs/dbraw/zinc/95/29/84/591952984.db2.gz ACALYYMIWYBTBO-LJQANCHMSA-N 2 1 346.475 1.009 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902318697 591969134 /nfs/dbraw/zinc/96/91/34/591969134.db2.gz QYWVUCJIPPJEHG-AWEZNQCLSA-N 2 1 325.478 1.463 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)C2)nc1 ZINC000902374723 591982791 /nfs/dbraw/zinc/98/27/91/591982791.db2.gz PNNJHMPIXDYKGK-OAHLLOKOSA-N 2 1 346.475 1.815 20 0 EDADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900333560 591987134 /nfs/dbraw/zinc/98/71/34/591987134.db2.gz BMJJOGNLGAAHAS-XZKMEQPCSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900333560 591987139 /nfs/dbraw/zinc/98/71/39/591987139.db2.gz BMJJOGNLGAAHAS-XZKMEQPCSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900333560 591987142 /nfs/dbraw/zinc/98/71/42/591987142.db2.gz BMJJOGNLGAAHAS-XZKMEQPCSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900333560 591987145 /nfs/dbraw/zinc/98/71/45/591987145.db2.gz BMJJOGNLGAAHAS-XZKMEQPCSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900352964 591992931 /nfs/dbraw/zinc/99/29/31/591992931.db2.gz KEESAIWWTKRPPJ-DFGXFYAUSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900352964 591992932 /nfs/dbraw/zinc/99/29/32/591992932.db2.gz KEESAIWWTKRPPJ-DFGXFYAUSA-N 2 1 325.497 1.316 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902796395 592064985 /nfs/dbraw/zinc/06/49/85/592064985.db2.gz NFUFJYHIFQKDPF-BEIYGRMHSA-N 2 1 335.492 1.332 20 0 EDADMP CN(C)C(=O)c1cccc(CONC(=[NH2+])[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000902809114 592067936 /nfs/dbraw/zinc/06/79/36/592067936.db2.gz AMYKQDSSLZYJKX-JKSUJKDBSA-N 2 1 346.431 1.250 20 0 EDADMP CC(=O)c1ccccc1OCCONC(=[NH2+])[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902811510 592068833 /nfs/dbraw/zinc/06/88/33/592068833.db2.gz XNUOOLZDRUEYBA-WMLDXEAASA-N 2 1 347.415 1.630 20 0 EDADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCO[C@@]23CCOC3)c1 ZINC000903058697 592111106 /nfs/dbraw/zinc/11/11/06/592111106.db2.gz JTTKHOYLPQOUQA-RBUKOAKNSA-N 2 1 332.444 1.556 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCO[C@]34CCOC4)C2)nc(C)[nH+]1 ZINC000903136969 592126116 /nfs/dbraw/zinc/12/61/16/592126116.db2.gz XABDPWKKDDSYDB-BQFCYCMXSA-N 2 1 332.448 1.600 20 0 EDADMP CC[C@@H](C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000900819025 592137028 /nfs/dbraw/zinc/13/70/28/592137028.db2.gz QTCVFDIKZCIOBR-SZMVWBNQSA-N 2 1 333.476 1.732 20 0 EDADMP CC[C@@H](C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000900819025 592137031 /nfs/dbraw/zinc/13/70/31/592137031.db2.gz QTCVFDIKZCIOBR-SZMVWBNQSA-N 2 1 333.476 1.732 20 0 EDADMP CN1C2(CCC2)COC[C@]1(CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903207715 592137959 /nfs/dbraw/zinc/13/79/59/592137959.db2.gz ZPCVABMKFARYHB-WQHGSSGSSA-N 2 1 349.519 1.350 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)[C@@H]2CCC[C@@H]21 ZINC000903234894 592146238 /nfs/dbraw/zinc/14/62/38/592146238.db2.gz QVYPLESILFGZHB-WOYTXXSLSA-N 2 1 343.537 1.557 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000903431559 592168427 /nfs/dbraw/zinc/16/84/27/592168427.db2.gz PQUPDKWVBRMJMM-OLZOCXBDSA-N 2 1 343.518 1.346 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903425082 592171340 /nfs/dbraw/zinc/17/13/40/592171340.db2.gz QWOSEEWVQIHDDE-HUUCEWRRSA-N 2 1 345.443 1.358 20 0 EDADMP COC(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cs1 ZINC000903505445 592181906 /nfs/dbraw/zinc/18/19/06/592181906.db2.gz BSIDCGGZQKYNOS-IYBDPMFKSA-N 2 1 349.500 1.935 20 0 EDADMP CCOC(=O)CCCCC[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493183 592185463 /nfs/dbraw/zinc/18/54/63/592185463.db2.gz OFSMNZIGTCRDDI-VBQJREDUSA-N 2 1 326.437 1.322 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC000903493013 592185539 /nfs/dbraw/zinc/18/55/39/592185539.db2.gz SZUGJSWKHMZXAI-WRSAYESZSA-N 2 1 349.406 1.367 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCOc1cccc(OC)c1)C2 ZINC000903492900 592185688 /nfs/dbraw/zinc/18/56/88/592185688.db2.gz KXQSXGOBPBHLCY-IYOUNJFTSA-N 2 1 334.416 1.286 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903496146 592187742 /nfs/dbraw/zinc/18/77/42/592187742.db2.gz HLZBLXAQIWCFMC-GDBMZVCRSA-N 2 1 349.475 1.579 20 0 EDADMP C[C@@H](C(=O)Nc1nccs1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903508527 592189562 /nfs/dbraw/zinc/18/95/62/592189562.db2.gz KHEDWOKBIXPREY-AEGPPILISA-N 2 1 349.504 1.371 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000901024970 592202996 /nfs/dbraw/zinc/20/29/96/592202996.db2.gz YCMFYDARGUATRG-SFHVURJKSA-N 2 1 338.540 1.497 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906649486 592233957 /nfs/dbraw/zinc/23/39/57/592233957.db2.gz DSPCJACVHOVZJY-MRXNPFEDSA-N 2 1 346.475 1.855 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)o3)C2)C1 ZINC000904373423 592241457 /nfs/dbraw/zinc/24/14/57/592241457.db2.gz DOOCQLDHDWXNIO-LZLYRXPVSA-N 3 1 348.491 1.408 20 0 EDADMP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)C12CC[NH+](CC1)C2 ZINC000901129820 592243615 /nfs/dbraw/zinc/24/36/15/592243615.db2.gz GLJAEAXMLHKJCX-QZTJIDSGSA-N 2 1 343.471 1.081 20 0 EDADMP Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1C ZINC000903718216 592280510 /nfs/dbraw/zinc/28/05/10/592280510.db2.gz IMKIUUHIAWUQAC-VQIMIIECSA-N 2 1 331.460 1.942 20 0 EDADMP Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1C ZINC000903718216 592280512 /nfs/dbraw/zinc/28/05/12/592280512.db2.gz IMKIUUHIAWUQAC-VQIMIIECSA-N 2 1 331.460 1.942 20 0 EDADMP O=C(c1ccsc1)N1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903722569 592283770 /nfs/dbraw/zinc/28/37/70/592283770.db2.gz MYTBLCDHYQABRK-SJLPKXTDSA-N 2 1 349.500 1.665 20 0 EDADMP CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727768 592285738 /nfs/dbraw/zinc/28/57/38/592285738.db2.gz XEJAHVIEBAGXOI-DLBZAZTESA-N 2 1 337.508 1.773 20 0 EDADMP C[N@@H+](C[C@H](O)COCc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903727146 592285931 /nfs/dbraw/zinc/28/59/31/592285931.db2.gz RDAXZMQQQNJKFP-GBESFXJTSA-N 2 1 334.460 1.265 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)c2C1 ZINC000906718381 592288356 /nfs/dbraw/zinc/28/83/56/592288356.db2.gz WVRRHYYNODZZHU-IAOVAPTHSA-N 2 1 342.443 1.360 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)c2C1 ZINC000906718381 592288358 /nfs/dbraw/zinc/28/83/58/592288358.db2.gz WVRRHYYNODZZHU-IAOVAPTHSA-N 2 1 342.443 1.360 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000906720960 592289880 /nfs/dbraw/zinc/28/98/80/592289880.db2.gz FMHNKHGPMUHJEX-UHFFFAOYSA-N 2 1 346.475 1.583 20 0 EDADMP c1csc(C[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000903745504 592292218 /nfs/dbraw/zinc/29/22/18/592292218.db2.gz JDFLMUUYTMFIJY-FXUDXRNXSA-N 2 1 349.500 1.891 20 0 EDADMP c1csc(C[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000903745504 592292220 /nfs/dbraw/zinc/29/22/20/592292220.db2.gz JDFLMUUYTMFIJY-FXUDXRNXSA-N 2 1 349.500 1.891 20 0 EDADMP FC(F)(c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1)C1CC[NH2+]CC1 ZINC000904636611 592299893 /nfs/dbraw/zinc/29/98/93/592299893.db2.gz CSNQXLSGJDJJMN-RYUDHWBXSA-N 2 1 328.363 1.697 20 0 EDADMP FC(F)(c1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1)C1CC[NH2+]CC1 ZINC000904636611 592299898 /nfs/dbraw/zinc/29/98/98/592299898.db2.gz CSNQXLSGJDJJMN-RYUDHWBXSA-N 2 1 328.363 1.697 20 0 EDADMP C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903740015 592301985 /nfs/dbraw/zinc/30/19/85/592301985.db2.gz RQKVMZAPTIHLFB-RLLQIKCJSA-N 2 1 329.488 1.961 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903740015 592301988 /nfs/dbraw/zinc/30/19/88/592301988.db2.gz RQKVMZAPTIHLFB-RLLQIKCJSA-N 2 1 329.488 1.961 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903740015 592301993 /nfs/dbraw/zinc/30/19/93/592301993.db2.gz RQKVMZAPTIHLFB-RLLQIKCJSA-N 2 1 329.488 1.961 20 0 EDADMP N[C@]1(c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)C[C@@H]1c1ccccc1 ZINC000904640010 592302331 /nfs/dbraw/zinc/30/23/31/592302331.db2.gz XIWIBQPNIPQMJW-ZXFNITATSA-N 2 1 326.400 1.947 20 0 EDADMP Cc1cc(C)nc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000903761610 592307307 /nfs/dbraw/zinc/30/73/07/592307307.db2.gz XDEIZVBJTXWWDB-QZTJIDSGSA-N 2 1 343.475 1.419 20 0 EDADMP Cc1cc(C)nc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000903761610 592307313 /nfs/dbraw/zinc/30/73/13/592307313.db2.gz XDEIZVBJTXWWDB-QZTJIDSGSA-N 2 1 343.475 1.419 20 0 EDADMP NC(=O)c1c[nH]nc1[C@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779827 592320315 /nfs/dbraw/zinc/32/03/15/592320315.db2.gz BPWIWWBRRQIGGM-UKRRQHHQSA-N 2 1 347.463 1.194 20 0 EDADMP NC(=O)c1c[nH]nc1[C@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779827 592320320 /nfs/dbraw/zinc/32/03/20/592320320.db2.gz BPWIWWBRRQIGGM-UKRRQHHQSA-N 2 1 347.463 1.194 20 0 EDADMP NC[C@]12CC[C@H]1CC[N@H+]2CCCCN1C(=O)c2ccccc2C1=O ZINC000903852692 592345488 /nfs/dbraw/zinc/34/54/88/592345488.db2.gz BUFOCQGALIEBQF-IFXJQAMLSA-N 2 1 327.428 1.876 20 0 EDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCCCN1C(=O)c2ccccc2C1=O ZINC000903852692 592345498 /nfs/dbraw/zinc/34/54/98/592345498.db2.gz BUFOCQGALIEBQF-IFXJQAMLSA-N 2 1 327.428 1.876 20 0 EDADMP NC[C@@]12CC[C@@H]1CC[N@@H+]2CCOCCN1C(=O)c2ccccc2C1=O ZINC000903862600 592349287 /nfs/dbraw/zinc/34/92/87/592349287.db2.gz AFNBFWRDKFNGAX-KUHUBIRLSA-N 2 1 343.427 1.112 20 0 EDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCOCCN1C(=O)c2ccccc2C1=O ZINC000903862600 592349297 /nfs/dbraw/zinc/34/92/97/592349297.db2.gz AFNBFWRDKFNGAX-KUHUBIRLSA-N 2 1 343.427 1.112 20 0 EDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCOCCN1C(=O)c2ccccc2C1=O ZINC000903862600 592349302 /nfs/dbraw/zinc/34/93/02/592349302.db2.gz AFNBFWRDKFNGAX-KUHUBIRLSA-N 2 1 343.427 1.112 20 0 EDADMP CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903888440 592351401 /nfs/dbraw/zinc/35/14/01/592351401.db2.gz CCAYUSACSRXQFV-CVEARBPZSA-N 2 1 348.495 1.331 20 0 EDADMP CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903888440 592351407 /nfs/dbraw/zinc/35/14/07/592351407.db2.gz CCAYUSACSRXQFV-CVEARBPZSA-N 2 1 348.495 1.331 20 0 EDADMP COCC[N@H+](CCc1ccccc1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903887120 592364308 /nfs/dbraw/zinc/36/43/08/592364308.db2.gz ZARRUEHHJNBOFT-GOSISDBHSA-N 2 1 343.475 1.894 20 0 EDADMP COCC[N@@H+](CCc1ccccc1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903887120 592364314 /nfs/dbraw/zinc/36/43/14/592364314.db2.gz ZARRUEHHJNBOFT-GOSISDBHSA-N 2 1 343.475 1.894 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cnn1C ZINC000903898745 592369346 /nfs/dbraw/zinc/36/93/46/592369346.db2.gz OKKGYCGJVPAKGF-YXJHDRRASA-N 2 1 330.480 1.626 20 0 EDADMP Cc1csc([C@@H]2CC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903937130 592387428 /nfs/dbraw/zinc/38/74/28/592387428.db2.gz BUVKTBSZNXOYLC-ZIAGYGMSSA-N 2 1 332.477 1.957 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C[C@]2(O)CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000908231003 592394708 /nfs/dbraw/zinc/39/47/08/592394708.db2.gz VJZZPSKFKSOCJE-IMFGXOCKSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000908231003 592394711 /nfs/dbraw/zinc/39/47/11/592394711.db2.gz VJZZPSKFKSOCJE-IMFGXOCKSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000908231003 592394717 /nfs/dbraw/zinc/39/47/17/592394717.db2.gz VJZZPSKFKSOCJE-IMFGXOCKSA-N 2 1 345.487 1.612 20 0 EDADMP COC(=O)c1coc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903980591 592401639 /nfs/dbraw/zinc/40/16/39/592401639.db2.gz VGGAQESRYHGDJB-IYBDPMFKSA-N 2 1 333.432 1.467 20 0 EDADMP O[C@H](CCC1(O)CCC1)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000905095372 592419972 /nfs/dbraw/zinc/41/99/72/592419972.db2.gz SWHNPXNCJSRQDB-MRXNPFEDSA-N 2 1 326.481 1.277 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000908287044 592425859 /nfs/dbraw/zinc/42/58/59/592425859.db2.gz FUPITXNGSMCFNR-KLAILNCOSA-N 2 1 325.497 1.722 20 0 EDADMP O[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1(O)CCCC1 ZINC000905204604 592464103 /nfs/dbraw/zinc/46/41/03/592464103.db2.gz QHHADTVZCABJKV-QZTJIDSGSA-N 2 1 334.460 1.009 20 0 EDADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905357796 592505920 /nfs/dbraw/zinc/50/59/20/592505920.db2.gz BUAPVTQEDSCVRN-GBESFXJTSA-N 2 1 348.487 1.125 20 0 EDADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905357796 592505923 /nfs/dbraw/zinc/50/59/23/592505923.db2.gz BUAPVTQEDSCVRN-GBESFXJTSA-N 2 1 348.487 1.125 20 0 EDADMP C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)O2)CO1 ZINC000905484682 592539472 /nfs/dbraw/zinc/53/94/72/592539472.db2.gz JLOHBPLZXJICSX-GSEOLPGOSA-N 2 1 348.487 1.796 20 0 EDADMP C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)O2)CO1 ZINC000905484682 592539474 /nfs/dbraw/zinc/53/94/74/592539474.db2.gz JLOHBPLZXJICSX-GSEOLPGOSA-N 2 1 348.487 1.796 20 0 EDADMP C[N@H+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC12CCCCC2 ZINC000908573955 592544414 /nfs/dbraw/zinc/54/44/14/592544414.db2.gz BRDIBLROEAYYPR-UHFFFAOYSA-N 2 1 335.492 1.574 20 0 EDADMP CCO[C@@H](C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C[NH+](C)C ZINC000905580987 592579576 /nfs/dbraw/zinc/57/95/76/592579576.db2.gz RPRUZXPUXZILTE-HNNXBMFYSA-N 2 1 329.391 1.850 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1CC1 ZINC000905585631 592582049 /nfs/dbraw/zinc/58/20/49/592582049.db2.gz LEIUPVVXUJIZMN-YHUYYLMFSA-N 2 1 339.480 1.144 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1CC1 ZINC000905585631 592582052 /nfs/dbraw/zinc/58/20/52/592582052.db2.gz LEIUPVVXUJIZMN-YHUYYLMFSA-N 2 1 339.480 1.144 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC000905666914 592601397 /nfs/dbraw/zinc/60/13/97/592601397.db2.gz BXDLVJUEFZNOEN-IYBDPMFKSA-N 2 1 325.497 1.866 20 0 EDADMP CCn1cnc2c1ncnc2N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000905704381 592616982 /nfs/dbraw/zinc/61/69/82/592616982.db2.gz SNDDQPASJJMIDC-GASCZTMLSA-N 2 1 341.463 1.251 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000907809037 592812456 /nfs/dbraw/zinc/81/24/56/592812456.db2.gz VTCBKONTXDKSIK-MRXNPFEDSA-N 2 1 337.508 1.963 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000907862229 592819340 /nfs/dbraw/zinc/81/93/40/592819340.db2.gz NRACXLNOCDKIDH-YQVWRLOYSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000907862229 592819344 /nfs/dbraw/zinc/81/93/44/592819344.db2.gz NRACXLNOCDKIDH-YQVWRLOYSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000907862229 592819348 /nfs/dbraw/zinc/81/93/48/592819348.db2.gz NRACXLNOCDKIDH-YQVWRLOYSA-N 2 1 331.460 1.080 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([N@H+]3CCCOCC3)CC2)C1 ZINC000910366184 592845401 /nfs/dbraw/zinc/84/54/01/592845401.db2.gz CNCRCNMFDBLYAM-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP O=C([C@H]1CCc2nccn2C1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910777674 592893535 /nfs/dbraw/zinc/89/35/35/592893535.db2.gz MGSSWIWJAMLAEJ-KRWDZBQOSA-N 2 1 336.439 1.932 20 0 EDADMP CC[NH2+]CCNC(=O)[C@H]([NH3+])c1cc(Br)ccc1OC ZINC000911751367 592997412 /nfs/dbraw/zinc/99/74/12/592997412.db2.gz YVGSIWGXZVLHBP-GFCCVEGCSA-N 2 1 330.226 1.183 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCn2ccnc21)CCC(F)(F)F ZINC000838565981 593188175 /nfs/dbraw/zinc/18/81/75/593188175.db2.gz KHMPMNFUMIYYJR-LLVKDONJSA-N 2 1 333.358 1.901 20 0 EDADMP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000839148857 593264713 /nfs/dbraw/zinc/26/47/13/593264713.db2.gz NQRVIYYLFCXHSR-WMLDXEAASA-N 2 1 339.505 1.805 20 0 EDADMP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000839148857 593264716 /nfs/dbraw/zinc/26/47/16/593264716.db2.gz NQRVIYYLFCXHSR-WMLDXEAASA-N 2 1 339.505 1.805 20 0 EDADMP C[C@@H]1CC[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000839986924 593297011 /nfs/dbraw/zinc/29/70/11/593297011.db2.gz YONIQYRZAQLWAN-OIISXLGYSA-N 2 1 327.428 1.403 20 0 EDADMP C[C@@H]1CC[N@@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000839986924 593297013 /nfs/dbraw/zinc/29/70/13/593297013.db2.gz YONIQYRZAQLWAN-OIISXLGYSA-N 2 1 327.428 1.403 20 0 EDADMP C[C@@H]1CC[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000839986924 593297014 /nfs/dbraw/zinc/29/70/14/593297014.db2.gz YONIQYRZAQLWAN-OIISXLGYSA-N 2 1 327.428 1.403 20 0 EDADMP C[C@@H]1CC[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000839986924 593297017 /nfs/dbraw/zinc/29/70/17/593297017.db2.gz YONIQYRZAQLWAN-OIISXLGYSA-N 2 1 327.428 1.403 20 0 EDADMP C[C@@H](O)c1ncc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)s1 ZINC000809147694 593320376 /nfs/dbraw/zinc/32/03/76/593320376.db2.gz VJODCNMZJDPLKW-GFCCVEGCSA-N 2 1 340.493 1.086 20 0 EDADMP O=C1N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)[C@H](C2CC2)[C@]12CCCO2 ZINC000840001052 593328598 /nfs/dbraw/zinc/32/85/98/593328598.db2.gz WLTMSTWRHIHMQZ-UYAOXDASSA-N 2 1 347.503 1.922 20 0 EDADMP Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c(N(C)C)n1 ZINC000839591950 593345838 /nfs/dbraw/zinc/34/58/38/593345838.db2.gz MTYQUYSAOVAPGS-CQSZACIVSA-N 2 1 347.463 1.243 20 0 EDADMP C[C@@H]1CN(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C(=O)[C@H]1C ZINC000840045691 593413391 /nfs/dbraw/zinc/41/33/91/593413391.db2.gz GEASXIXUNNZGOT-SJORKVTESA-N 2 1 336.524 1.408 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC000815401859 593631518 /nfs/dbraw/zinc/63/15/18/593631518.db2.gz ORXLSCNDIRAPRG-CQSZACIVSA-N 2 1 343.431 1.572 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000818945898 593729377 /nfs/dbraw/zinc/72/93/77/593729377.db2.gz SWJRYVNDNZNKQY-HNNXBMFYSA-N 2 1 327.469 1.479 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)C3CC3)c2)C1 ZINC000819040604 593735055 /nfs/dbraw/zinc/73/50/55/593735055.db2.gz ODUOCFUOFCULOE-ROUUACIJSA-N 2 1 331.460 1.244 20 0 EDADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000820810103 593895226 /nfs/dbraw/zinc/89/52/26/593895226.db2.gz OVUPCKSECOQTQS-VQIMIIECSA-N 3 1 346.519 1.986 20 0 EDADMP C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000820810103 593895227 /nfs/dbraw/zinc/89/52/27/593895227.db2.gz OVUPCKSECOQTQS-VQIMIIECSA-N 2 1 346.519 1.986 20 0 EDADMP C[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000820810103 593895228 /nfs/dbraw/zinc/89/52/28/593895228.db2.gz OVUPCKSECOQTQS-VQIMIIECSA-N 2 1 346.519 1.986 20 0 EDADMP CC(C)(O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824173306 593945359 /nfs/dbraw/zinc/94/53/59/593945359.db2.gz WZEAHTNLVSVGEG-UHFFFAOYSA-N 2 1 330.436 1.192 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821160791 593979006 /nfs/dbraw/zinc/97/90/06/593979006.db2.gz QFOAXTPPZHXSKT-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821160791 593979008 /nfs/dbraw/zinc/97/90/08/593979008.db2.gz QFOAXTPPZHXSKT-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821160791 593979010 /nfs/dbraw/zinc/97/90/10/593979010.db2.gz QFOAXTPPZHXSKT-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP C/C(=C/C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cnccn1 ZINC000825394194 594177963 /nfs/dbraw/zinc/17/79/63/594177963.db2.gz USKJQDBXSXDTFQ-KAMYIIQDSA-N 2 1 338.415 1.665 20 0 EDADMP C[N@H+](CCC[NH+]1CCCC1)CCOc1ccccc1-c1nn[nH]n1 ZINC000825918782 594279384 /nfs/dbraw/zinc/27/93/84/594279384.db2.gz NFIYYMUQBLJOKD-UHFFFAOYSA-N 2 1 330.436 1.663 20 0 EDADMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1ccccc1-c1nn[nH]n1 ZINC000825918782 594279385 /nfs/dbraw/zinc/27/93/85/594279385.db2.gz NFIYYMUQBLJOKD-UHFFFAOYSA-N 2 1 330.436 1.663 20 0 EDADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000831127135 594563256 /nfs/dbraw/zinc/56/32/56/594563256.db2.gz CUCVPSMEESSYHZ-JFIYKMOQSA-N 2 1 344.459 1.117 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCCCCCC[NH3+])C[C@H](C)O1 ZINC000831264185 594594552 /nfs/dbraw/zinc/59/45/52/594594552.db2.gz WSGWCWMCTBFOKW-BBWFWOEESA-N 2 1 340.512 1.789 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCCCCCC[NH3+])C[C@H](C)O1 ZINC000831264185 594594554 /nfs/dbraw/zinc/59/45/54/594594554.db2.gz WSGWCWMCTBFOKW-BBWFWOEESA-N 2 1 340.512 1.789 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827277513 594658122 /nfs/dbraw/zinc/65/81/22/594658122.db2.gz MGAZPQZAAUXMSK-HUUCEWRRSA-N 2 1 342.447 1.389 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827277513 594658123 /nfs/dbraw/zinc/65/81/23/594658123.db2.gz MGAZPQZAAUXMSK-HUUCEWRRSA-N 2 1 342.447 1.389 20 0 EDADMP CN1CC[NH+](C2CCN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CC2)CC1 ZINC000827430237 594671288 /nfs/dbraw/zinc/67/12/88/594671288.db2.gz ONUGVPSSNOYNNH-SFHVURJKSA-N 2 1 334.508 1.242 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000841727675 594944673 /nfs/dbraw/zinc/94/46/73/594944673.db2.gz VRKZZKBBIRYQCZ-OAHLLOKOSA-N 2 1 328.420 1.599 20 0 EDADMP C[C@]1(CNC(=O)NC2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841899158 594977235 /nfs/dbraw/zinc/97/72/35/594977235.db2.gz SVWQXJRELATYPA-LJQANCHMSA-N 2 1 330.476 1.950 20 0 EDADMP C[NH2+]C[C@@H](C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000843200612 595032002 /nfs/dbraw/zinc/03/20/02/595032002.db2.gz IRPANPKPAVGQOS-CYBMUJFWSA-N 2 1 343.431 1.447 20 0 EDADMP C[N@@H+]1CCCN(c2ccc(-c3noc(C[NH2+]C4CC4)n3)cn2)CC1 ZINC000843206266 595035154 /nfs/dbraw/zinc/03/51/54/595035154.db2.gz WYIVEWJTZHKKOK-UHFFFAOYSA-N 2 1 328.420 1.526 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc(C[NH2+]C4CC4)n3)cn2)CC1 ZINC000843206266 595035158 /nfs/dbraw/zinc/03/51/58/595035158.db2.gz WYIVEWJTZHKKOK-UHFFFAOYSA-N 2 1 328.420 1.526 20 0 EDADMP CCCCOC(=O)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843362977 595088039 /nfs/dbraw/zinc/08/80/39/595088039.db2.gz WASJHOARYJXVRB-HZPDHXFCSA-N 2 1 339.480 1.300 20 0 EDADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc2ccccc2c1 ZINC000842475127 595114556 /nfs/dbraw/zinc/11/45/56/595114556.db2.gz LCJURUMVQVLYAY-LJQANCHMSA-N 2 1 338.455 1.758 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc2ccccc2c1 ZINC000842475127 595114558 /nfs/dbraw/zinc/11/45/58/595114558.db2.gz LCJURUMVQVLYAY-LJQANCHMSA-N 2 1 338.455 1.758 20 0 EDADMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(F)c1 ZINC000843061426 595276720 /nfs/dbraw/zinc/27/67/20/595276720.db2.gz GGSRRLQFLSNNKR-INIZCTEOSA-N 2 1 330.831 1.949 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1ccccc1C)C2 ZINC000843111936 595289070 /nfs/dbraw/zinc/28/90/70/595289070.db2.gz JQDOAIMLHZJAHL-HNAYVOBHSA-N 2 1 329.444 1.673 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000844175559 595292341 /nfs/dbraw/zinc/29/23/41/595292341.db2.gz IIIRRIRTHWDZRC-SFHVURJKSA-N 2 1 348.422 1.104 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CCCCC[NH3+])cc2)CC1 ZINC000844176816 595293077 /nfs/dbraw/zinc/29/30/77/595293077.db2.gz VLWNCXIHZDFICY-UHFFFAOYSA-N 2 1 346.475 1.922 20 0 EDADMP C[NH+](C)CCOc1cc(-c2noc(C[NH2+]C[C@H]3CCCO3)n2)ccn1 ZINC000843191978 595302600 /nfs/dbraw/zinc/30/26/00/595302600.db2.gz PUAUSFAAQIXRRB-CQSZACIVSA-N 2 1 347.419 1.341 20 0 EDADMP C[N@@H+](CC(=O)N1CCN(Cc2ccccc2)CC1)C1CCC([NH3+])CC1 ZINC000844220160 595305658 /nfs/dbraw/zinc/30/56/58/595305658.db2.gz AKICAYYJFDFOEK-UHFFFAOYSA-N 2 1 344.503 1.533 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000846845656 595325579 /nfs/dbraw/zinc/32/55/79/595325579.db2.gz LLUBGEYETWKLEB-MOPGFXCFSA-N 2 1 336.476 1.683 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000846845656 595325583 /nfs/dbraw/zinc/32/55/83/595325583.db2.gz LLUBGEYETWKLEB-MOPGFXCFSA-N 2 1 336.476 1.683 20 0 EDADMP COC(=O)N1CCC(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000848550338 595404745 /nfs/dbraw/zinc/40/47/45/595404745.db2.gz JRLPWDNFPWKEDA-KRWDZBQOSA-N 2 1 339.480 1.698 20 0 EDADMP C[C@@H](CNC(=S)NCC(C)(C)C[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848648409 595422087 /nfs/dbraw/zinc/42/20/87/595422087.db2.gz ZCMIURKZXMGPMH-SOUVJXGZSA-N 2 1 344.569 1.536 20 0 EDADMP C[C@@H](CNC(=S)NCC(C)(C)C[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848648409 595422088 /nfs/dbraw/zinc/42/20/88/595422088.db2.gz ZCMIURKZXMGPMH-SOUVJXGZSA-N 2 1 344.569 1.536 20 0 EDADMP COC(=O)/C=C/c1ccc(C[NH2+]CCCCN2CC[NH+](C)CC2)o1 ZINC000848893361 595464439 /nfs/dbraw/zinc/46/44/39/595464439.db2.gz VCRVWYOFLWIRSX-BQYQJAHWSA-N 2 1 335.448 1.583 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])NC[C@H]3CCCO3)c2)CCO1 ZINC000849014584 595475063 /nfs/dbraw/zinc/47/50/63/595475063.db2.gz WLEDKDQCFUUQFH-CRAIPNDOSA-N 2 1 346.475 1.700 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])NC[C@H]3CCCO3)c2)CCO1 ZINC000849014584 595475064 /nfs/dbraw/zinc/47/50/64/595475064.db2.gz WLEDKDQCFUUQFH-CRAIPNDOSA-N 2 1 346.475 1.700 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000849065096 595476957 /nfs/dbraw/zinc/47/69/57/595476957.db2.gz OPDFKMZHBCNETF-HOCLYGCPSA-N 2 1 349.454 1.068 20 0 EDADMP C[C@@H]1CN(C(=[NH2+])NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CCO1 ZINC000849093630 595480227 /nfs/dbraw/zinc/48/02/27/595480227.db2.gz CITKSNLRCOLCQJ-JKSUJKDBSA-N 2 1 346.475 1.652 20 0 EDADMP C[C@@H]1CN(C(=[NH2+])NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CCO1 ZINC000849093630 595480229 /nfs/dbraw/zinc/48/02/29/595480229.db2.gz CITKSNLRCOLCQJ-JKSUJKDBSA-N 2 1 346.475 1.652 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000849099070 595481914 /nfs/dbraw/zinc/48/19/14/595481914.db2.gz GATJPFGOCHXNSH-AWEZNQCLSA-N 2 1 345.426 1.709 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000849099070 595481915 /nfs/dbraw/zinc/48/19/15/595481915.db2.gz GATJPFGOCHXNSH-AWEZNQCLSA-N 2 1 345.426 1.709 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000849099070 595481916 /nfs/dbraw/zinc/48/19/16/595481916.db2.gz GATJPFGOCHXNSH-AWEZNQCLSA-N 2 1 345.426 1.709 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000849104849 595482701 /nfs/dbraw/zinc/48/27/01/595482701.db2.gz ZCGHYFPPGGNNRK-ZHALLVOQSA-N 2 1 348.466 1.890 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](CO)c1ccc(OC)cc1 ZINC000849117111 595484439 /nfs/dbraw/zinc/48/44/39/595484439.db2.gz YSIQAPHJONBZNM-HOTGVXAUSA-N 2 1 334.464 1.369 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(OCC(N)=O)cc2)CCO1 ZINC000852760196 595531650 /nfs/dbraw/zinc/53/16/50/595531650.db2.gz BYPKRSCPYCZMMS-KRWDZBQOSA-N 2 1 335.448 1.093 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(OCC(N)=O)cc2)CCO1 ZINC000852760196 595531652 /nfs/dbraw/zinc/53/16/52/595531652.db2.gz BYPKRSCPYCZMMS-KRWDZBQOSA-N 2 1 335.448 1.093 20 0 EDADMP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000852793847 595545855 /nfs/dbraw/zinc/54/58/55/595545855.db2.gz HMGMWWRSDFKYKN-GWCFXTLKSA-N 2 1 326.238 1.646 20 0 EDADMP CC(C)(CNC(=O)C1=NO[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000852858502 595580026 /nfs/dbraw/zinc/58/00/26/595580026.db2.gz FGHKGAPTMHASMZ-HNNXBMFYSA-N 2 1 330.432 1.043 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC(C)(C)C[NH+]2CCCC2)cn1 ZINC000849602803 595590406 /nfs/dbraw/zinc/59/04/06/595590406.db2.gz QWCQGWJUOXYSRH-DLBZAZTESA-N 2 1 347.507 1.446 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)C=C2CC[NH2+]CC2)c2cccs2)CC1 ZINC000852871918 595591260 /nfs/dbraw/zinc/59/12/60/595591260.db2.gz FGCIEQJWRZHTNY-INIZCTEOSA-N 2 1 348.516 1.463 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849608269 595594426 /nfs/dbraw/zinc/59/44/26/595594426.db2.gz NRPOWYPQNWQLKO-ROUUACIJSA-N 2 1 349.523 1.550 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849608269 595594430 /nfs/dbraw/zinc/59/44/30/595594430.db2.gz NRPOWYPQNWQLKO-ROUUACIJSA-N 2 1 349.523 1.550 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849608269 595594435 /nfs/dbraw/zinc/59/44/35/595594435.db2.gz NRPOWYPQNWQLKO-ROUUACIJSA-N 2 1 349.523 1.550 20 0 EDADMP COc1cccc([C@H](O)C2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000860144193 595594567 /nfs/dbraw/zinc/59/45/67/595594567.db2.gz WANYKXPIRNECAV-UYAOXDASSA-N 2 1 348.487 1.897 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CCC2SCCS2)C1)[C@@H]1CCC[NH2+]1 ZINC000853023186 595643973 /nfs/dbraw/zinc/64/39/73/595643973.db2.gz PJISTNSRNCFDNJ-KGLIPLIRSA-N 2 1 343.562 1.763 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000853472071 595761392 /nfs/dbraw/zinc/76/13/92/595761392.db2.gz UPEXQXNKZBAZKU-CYBMUJFWSA-N 2 1 330.436 1.715 20 0 EDADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)O2 ZINC000851732546 595901178 /nfs/dbraw/zinc/90/11/78/595901178.db2.gz SYVJJDROSDKNRJ-ZNMIVQPWSA-N 2 1 337.464 1.306 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)N2CCOC[C@H]2C2CC2)cc1 ZINC000859211763 596005556 /nfs/dbraw/zinc/00/55/56/596005556.db2.gz DORAVXHABXRZOL-IBGZPJMESA-N 2 1 345.487 1.817 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)N2CCOC[C@H]2C2CC2)cc1 ZINC000859211763 596005558 /nfs/dbraw/zinc/00/55/58/596005558.db2.gz DORAVXHABXRZOL-IBGZPJMESA-N 2 1 345.487 1.817 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859214226 596006869 /nfs/dbraw/zinc/00/68/69/596006869.db2.gz ODSCNVSOZNMZJZ-KRWDZBQOSA-N 2 1 346.519 1.733 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC3OCCO3)C2)ccn1 ZINC000856585471 596022975 /nfs/dbraw/zinc/02/29/75/596022975.db2.gz GGXQFWVAEREHCD-KRWDZBQOSA-N 2 1 335.448 1.749 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC3OCCO3)C2)ccn1 ZINC000856585471 596022979 /nfs/dbraw/zinc/02/29/79/596022979.db2.gz GGXQFWVAEREHCD-KRWDZBQOSA-N 2 1 335.448 1.749 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC3OCCO3)C2)ccn1 ZINC000856585471 596022983 /nfs/dbraw/zinc/02/29/83/596022983.db2.gz GGXQFWVAEREHCD-KRWDZBQOSA-N 2 1 335.448 1.749 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)NCc3cccnc3N3CCCC3)CC[C@@H]21 ZINC000868765407 596299033 /nfs/dbraw/zinc/29/90/33/596299033.db2.gz TZRFFQGBUHQVEW-IRXDYDNUSA-N 2 1 343.475 1.917 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CC[NH2+]CC2CC2)CC1 ZINC000870923660 596407189 /nfs/dbraw/zinc/40/71/89/596407189.db2.gz NABDPRKDZIZABQ-CALCHBBNSA-N 2 1 336.524 1.393 20 0 EDADMP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H](O)c2c[nH]cn2)C1 ZINC000869263562 596466213 /nfs/dbraw/zinc/46/62/13/596466213.db2.gz VLVXOEWDWUMAFT-RDJZCZTQSA-N 2 1 328.416 1.219 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H](O)c2c[nH]cn2)C1 ZINC000869263562 596466217 /nfs/dbraw/zinc/46/62/17/596466217.db2.gz VLVXOEWDWUMAFT-RDJZCZTQSA-N 2 1 328.416 1.219 20 0 EDADMP O=C([C@@H]1CCCN(CC(F)F)C1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000867857938 596588426 /nfs/dbraw/zinc/58/84/26/596588426.db2.gz PPUGBQGSPJFNSR-MGPQQGTHSA-N 2 1 333.398 1.608 20 0 EDADMP CC[C@@H]1COCCN1CCNC(=S)NC[C@@H]1CCC[N@H+]1CC ZINC000871688721 596672470 /nfs/dbraw/zinc/67/24/70/596672470.db2.gz QQQJMSPRYLQIFC-CABCVRRESA-N 2 1 328.526 1.046 20 0 EDADMP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000865818759 596696859 /nfs/dbraw/zinc/69/68/59/596696859.db2.gz ZSBLVLSMPHHYDT-OAHLLOKOSA-N 2 1 339.505 1.600 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@H+]1C ZINC000868237798 596740032 /nfs/dbraw/zinc/74/00/32/596740032.db2.gz NDSGIIZVYVZDAK-NKKGCODLSA-N 2 1 344.459 1.381 20 0 EDADMP Cc1cccn2cc(CCNC(=O)N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)nc12 ZINC000868330992 596788999 /nfs/dbraw/zinc/78/89/99/596788999.db2.gz PMPWOQKPTJIZAS-NVXWUHKLSA-N 2 1 341.459 1.921 20 0 EDADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000872146769 596809989 /nfs/dbraw/zinc/80/99/89/596809989.db2.gz WZQZIGAZDMAMOQ-BRWVUGGUSA-N 2 1 325.497 1.637 20 0 EDADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156267 596816256 /nfs/dbraw/zinc/81/62/56/596816256.db2.gz HDHSXWFLQXRLHY-SQWLQELKSA-N 2 1 338.496 1.840 20 0 EDADMP CCOC1CC2(C[C@@H]2NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000875713580 596957447 /nfs/dbraw/zinc/95/74/47/596957447.db2.gz OMTLNKIPKQSZJG-VUGNNNGISA-N 2 1 340.512 1.515 20 0 EDADMP CCOC1CC2(C[C@@H]2NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000875713580 596957448 /nfs/dbraw/zinc/95/74/48/596957448.db2.gz OMTLNKIPKQSZJG-VUGNNNGISA-N 2 1 340.512 1.515 20 0 EDADMP COCC[N@H+](CC1CC[NH+](C)CC1)Cn1ccc(Br)n1 ZINC000872631888 597000411 /nfs/dbraw/zinc/00/04/11/597000411.db2.gz MJMKZJYDWFDDFM-UHFFFAOYSA-N 2 1 345.285 1.893 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1ccc(Br)n1 ZINC000872631888 597000415 /nfs/dbraw/zinc/00/04/15/597000415.db2.gz MJMKZJYDWFDDFM-UHFFFAOYSA-N 2 1 345.285 1.893 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccco1 ZINC000874432311 597075436 /nfs/dbraw/zinc/07/54/36/597075436.db2.gz XDNJUJPFWPJKHX-QJPTWQEYSA-N 2 1 348.369 1.661 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)cn1 ZINC000873017046 597161149 /nfs/dbraw/zinc/16/11/49/597161149.db2.gz UNZBYQGLRIJWFQ-OAHLLOKOSA-N 2 1 334.445 1.633 20 0 EDADMP COC(=O)C(C)(C)N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873209891 597229111 /nfs/dbraw/zinc/22/91/11/597229111.db2.gz VGRYUUHKKPDGBG-UHFFFAOYSA-N 2 1 337.489 1.463 20 0 EDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000873211002 597229138 /nfs/dbraw/zinc/22/91/38/597229138.db2.gz GLJCMMZTMQSXKF-GJZGRUSLSA-N 2 1 329.485 1.833 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@H]1C(F)(F)F ZINC000873227763 597234145 /nfs/dbraw/zinc/23/41/45/597234145.db2.gz NGJXTTLJGPVYQW-GXTWGEPZSA-N 2 1 325.338 1.836 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)C[C@H]1C(F)(F)F ZINC000873227763 597234146 /nfs/dbraw/zinc/23/41/46/597234146.db2.gz NGJXTTLJGPVYQW-GXTWGEPZSA-N 2 1 325.338 1.836 20 0 EDADMP Cn1ncc(I)c1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000873275118 597245407 /nfs/dbraw/zinc/24/54/07/597245407.db2.gz CEITWQNKNCHMLX-ONGXEEELSA-N 2 1 348.232 1.632 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)C[NH+]1CCCCC1 ZINC000875127550 597293233 /nfs/dbraw/zinc/29/32/33/597293233.db2.gz MCOYIZAYDAPKCF-HOTGVXAUSA-N 2 1 340.512 1.253 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876713001 597300305 /nfs/dbraw/zinc/30/03/05/597300305.db2.gz WPUCAVQBKRHPSI-DLBZAZTESA-N 2 1 335.423 1.083 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000875152614 597304446 /nfs/dbraw/zinc/30/44/46/597304446.db2.gz TWQFBQWCKIXKGD-INIZCTEOSA-N 2 1 326.485 1.080 20 0 EDADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1csc(C2CC[NH2+]CC2)n1 ZINC000876729721 597309409 /nfs/dbraw/zinc/30/94/09/597309409.db2.gz VFMIEZPOUDGBBG-ZFWWWQNUSA-N 2 1 334.489 1.967 20 0 EDADMP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876739331 597316097 /nfs/dbraw/zinc/31/60/97/597316097.db2.gz ORZDIXGOKIYARA-CYBMUJFWSA-N 2 1 347.488 1.582 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876837046 597354206 /nfs/dbraw/zinc/35/42/06/597354206.db2.gz BIXPSLKACZYQCX-OSSRSAFMSA-N 2 1 329.444 1.724 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876839173 597355079 /nfs/dbraw/zinc/35/50/79/597355079.db2.gz SBMAVUAXVXTXPO-OBJOEFQTSA-N 2 1 325.359 1.008 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000877004897 597409338 /nfs/dbraw/zinc/40/93/38/597409338.db2.gz VFHYHHUNYIUVDQ-SJLPKXTDSA-N 2 1 344.459 1.459 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2NCCc3ccccc32)C[C@H]1C[NH+](C)C ZINC000877143309 597442325 /nfs/dbraw/zinc/44/23/25/597442325.db2.gz LGLBMTKINIMKNJ-LMMKCTJWSA-N 2 1 344.503 1.071 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CO[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000877221934 597465991 /nfs/dbraw/zinc/46/59/91/597465991.db2.gz UKOWNFUOTPYBAM-ZWKOTPCHSA-N 2 1 331.460 1.454 20 0 EDADMP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000877240989 597475794 /nfs/dbraw/zinc/47/57/94/597475794.db2.gz IJKHHBFSPRYIDS-DMUMMCEESA-N 2 1 343.471 1.379 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877257929 597481902 /nfs/dbraw/zinc/48/19/02/597481902.db2.gz UOPOIUKJFPZKFM-FXAWDEMLSA-N 2 1 346.519 1.669 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877346803 597497590 /nfs/dbraw/zinc/49/75/90/597497590.db2.gz IHWJUZRHTOUVJI-CRAIPNDOSA-N 2 1 325.412 1.526 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)C1 ZINC000877447714 597516833 /nfs/dbraw/zinc/51/68/33/597516833.db2.gz AGTLYUBYEJBAQM-JQHSSLGASA-N 2 1 337.508 1.853 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)C1 ZINC000877447714 597516835 /nfs/dbraw/zinc/51/68/35/597516835.db2.gz AGTLYUBYEJBAQM-JQHSSLGASA-N 2 1 337.508 1.853 20 0 EDADMP COc1ccc2c(c1)CCC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C2 ZINC000878050569 597572217 /nfs/dbraw/zinc/57/22/17/597572217.db2.gz XVJSJIWOSWEZAF-UHFFFAOYSA-N 2 1 331.460 1.654 20 0 EDADMP COc1ccc2c(c1)CCC[N@H+](CC(=O)NC1CC[NH+](C)CC1)C2 ZINC000878050569 597572218 /nfs/dbraw/zinc/57/22/18/597572218.db2.gz XVJSJIWOSWEZAF-UHFFFAOYSA-N 2 1 331.460 1.654 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc3oc(=O)oc3c2)CC1 ZINC000882981146 597606250 /nfs/dbraw/zinc/60/62/50/597606250.db2.gz CZQRLVDFNCGIAB-UHFFFAOYSA-N 2 1 333.432 1.749 20 0 EDADMP C[NH+]1CC[C@@H]2CN(CCCCN3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)CC[C@H]21 ZINC000879578553 597640747 /nfs/dbraw/zinc/64/07/47/597640747.db2.gz UOAUPVGTUXSCLT-IYWMVGAKSA-N 2 1 334.552 1.819 20 0 EDADMP C[NH+]1CC[C@H]2CN(CCCCN3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)CC[C@H]21 ZINC000879578553 597640749 /nfs/dbraw/zinc/64/07/49/597640749.db2.gz UOAUPVGTUXSCLT-IYWMVGAKSA-N 2 1 334.552 1.819 20 0 EDADMP C[NH+]1CC[C@H]2CN(CCCCN3CC[C@@H]4[C@H](CC[N@H+]4C)C3)CC[C@H]21 ZINC000879578553 597640751 /nfs/dbraw/zinc/64/07/51/597640751.db2.gz UOAUPVGTUXSCLT-IYWMVGAKSA-N 2 1 334.552 1.819 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](Cc2cccnc2)C2CCCC2)CC1 ZINC000879675774 597682619 /nfs/dbraw/zinc/68/26/19/597682619.db2.gz CBVMWFWEOLMLII-LJQANCHMSA-N 2 1 344.503 1.937 20 0 EDADMP O=C1NCCN1c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000883286965 597700596 /nfs/dbraw/zinc/70/05/96/597700596.db2.gz HTQLGPWVDQHOCL-GOSISDBHSA-N 2 1 344.459 1.559 20 0 EDADMP C[C@@H](CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[N@@H+](C)C1CC1 ZINC000883332454 597716379 /nfs/dbraw/zinc/71/63/79/597716379.db2.gz VTIKTNQXZCAZMI-AWEZNQCLSA-N 2 1 338.496 1.412 20 0 EDADMP COCC[NH2+]C1CC[NH+](C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000883434043 597745165 /nfs/dbraw/zinc/74/51/65/597745165.db2.gz FNOOQNNWHAPCGG-QGZVFWFLSA-N 2 1 326.481 1.663 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950971 597780956 /nfs/dbraw/zinc/78/09/56/597780956.db2.gz FTRFDCMIMVHQIJ-QGZVFWFLSA-N 2 1 327.513 1.266 20 0 EDADMP O=C(NCC[NH2+]C1CC1)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883586010 597814197 /nfs/dbraw/zinc/81/41/97/597814197.db2.gz CQZHNJBLGSJPNH-GOSISDBHSA-N 2 1 343.475 1.845 20 0 EDADMP COCC[N@H+](CCCS(=O)(=O)C(C)C)CC1CC[NH+](C)CC1 ZINC000879124876 597827004 /nfs/dbraw/zinc/82/70/04/597827004.db2.gz HHFLMHHMMHCAHV-UHFFFAOYSA-N 2 1 334.526 1.490 20 0 EDADMP COCC[N@@H+](CCCS(=O)(=O)C(C)C)CC1CC[NH+](C)CC1 ZINC000879124876 597827006 /nfs/dbraw/zinc/82/70/06/597827006.db2.gz HHFLMHHMMHCAHV-UHFFFAOYSA-N 2 1 334.526 1.490 20 0 EDADMP CC(C)(O)[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](C(C)(C)O)C2)C1 ZINC000880147602 597856946 /nfs/dbraw/zinc/85/69/46/597856946.db2.gz XWROPRYBMFWPTJ-IYBDPMFKSA-N 2 1 328.497 1.189 20 0 EDADMP CC(C)(O)[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](C(C)(C)O)C2)C1 ZINC000880147602 597856948 /nfs/dbraw/zinc/85/69/48/597856948.db2.gz XWROPRYBMFWPTJ-IYBDPMFKSA-N 2 1 328.497 1.189 20 0 EDADMP CC(C)(O)[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](C(C)(C)O)C2)C1 ZINC000880147602 597856949 /nfs/dbraw/zinc/85/69/49/597856949.db2.gz XWROPRYBMFWPTJ-IYBDPMFKSA-N 2 1 328.497 1.189 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248656 597864131 /nfs/dbraw/zinc/86/41/31/597864131.db2.gz SHNACKCHMJQKEV-UHFFFAOYSA-N 2 1 333.480 1.783 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000880609972 597979930 /nfs/dbraw/zinc/97/99/30/597979930.db2.gz DABYESXVVAUDLH-INIZCTEOSA-N 2 1 335.452 1.376 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000880609972 597979932 /nfs/dbraw/zinc/97/99/32/597979932.db2.gz DABYESXVVAUDLH-INIZCTEOSA-N 2 1 335.452 1.376 20 0 EDADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884197906 598025263 /nfs/dbraw/zinc/02/52/63/598025263.db2.gz IIJSYEICJPLRTP-HOTGVXAUSA-N 2 1 343.475 1.786 20 0 EDADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884227242 598036455 /nfs/dbraw/zinc/03/64/55/598036455.db2.gz LKCRYFCZQMBBKT-BXUZGUMPSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884227242 598036458 /nfs/dbraw/zinc/03/64/58/598036458.db2.gz LKCRYFCZQMBBKT-BXUZGUMPSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@H]([NH3+])c1cn([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000881278509 598115978 /nfs/dbraw/zinc/11/59/78/598115978.db2.gz WVWFSGXOAJPYNW-OFQRWUPVSA-N 2 1 342.447 1.250 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881376056 598135962 /nfs/dbraw/zinc/13/59/62/598135962.db2.gz WKXSWULIPULNRK-GOSISDBHSA-N 2 1 335.496 1.806 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881376056 598135964 /nfs/dbraw/zinc/13/59/64/598135964.db2.gz WKXSWULIPULNRK-GOSISDBHSA-N 2 1 335.496 1.806 20 0 EDADMP Cc1nccn1-c1ncccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000914323290 695359125 /nfs/dbraw/zinc/35/91/25/695359125.db2.gz VBIQUPNNMZQREX-IUODEOHRSA-N 2 1 328.420 1.468 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000914323290 695359127 /nfs/dbraw/zinc/35/91/27/695359127.db2.gz VBIQUPNNMZQREX-IUODEOHRSA-N 2 1 328.420 1.468 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000914323290 695359131 /nfs/dbraw/zinc/35/91/31/695359131.db2.gz VBIQUPNNMZQREX-IUODEOHRSA-N 2 1 328.420 1.468 20 0 EDADMP C[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000915274572 695777936 /nfs/dbraw/zinc/77/79/36/695777936.db2.gz CQGNSHKKRNYQDL-CVEARBPZSA-N 2 1 342.553 1.436 20 0 EDADMP C[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000915274572 695777937 /nfs/dbraw/zinc/77/79/37/695777937.db2.gz CQGNSHKKRNYQDL-CVEARBPZSA-N 2 1 342.553 1.436 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](CCCc3cccc(F)c3)C2)C1 ZINC001031257995 696065094 /nfs/dbraw/zinc/06/50/94/696065094.db2.gz CYWPXGLJLUXRAT-MRXNPFEDSA-N 2 1 333.451 1.901 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](CCCc3cccc(F)c3)C2)C1 ZINC001031257995 696065098 /nfs/dbraw/zinc/06/50/98/696065098.db2.gz CYWPXGLJLUXRAT-MRXNPFEDSA-N 2 1 333.451 1.901 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CC2CCOCC2)[C@@H]1C ZINC000993589536 696265709 /nfs/dbraw/zinc/26/57/09/696265709.db2.gz KXJAKIZODJSVIU-WBVHZDCISA-N 2 1 334.464 1.587 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CC2CCOCC2)[C@@H]1C ZINC000993589536 696265712 /nfs/dbraw/zinc/26/57/12/696265712.db2.gz KXJAKIZODJSVIU-WBVHZDCISA-N 2 1 334.464 1.587 20 0 EDADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CCOC1CCC1 ZINC000993759669 696352303 /nfs/dbraw/zinc/35/23/03/696352303.db2.gz MCAGODVMRNSELA-MAUKXSAKSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCC[N@H+]1CCO ZINC000993800748 696377965 /nfs/dbraw/zinc/37/79/65/696377965.db2.gz AXFTZCWGTXOOMX-MAUKXSAKSA-N 2 1 333.476 1.366 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1CCc1cnn(C)c1 ZINC000994260063 696672765 /nfs/dbraw/zinc/67/27/65/696672765.db2.gz XKELOSPBVWIFER-WBVHZDCISA-N 2 1 345.491 1.028 20 0 EDADMP Cc1nc(CC[N@@H+]2CCC[C@@H](NC(=O)Cn3ccnc3)[C@H]2C)cs1 ZINC000994512253 696955820 /nfs/dbraw/zinc/95/58/20/696955820.db2.gz XIUMIVJZJKBHRW-CZUORRHYSA-N 2 1 347.488 1.860 20 0 EDADMP Cc1nc(CCN2CCC[C@@H](NC(=O)Cn3ccnc3)[C@H]2C)cs1 ZINC000994512253 696955822 /nfs/dbraw/zinc/95/58/22/696955822.db2.gz XIUMIVJZJKBHRW-CZUORRHYSA-N 2 1 347.488 1.860 20 0 EDADMP COc1cccc(CCC[NH+]2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001031384797 697004262 /nfs/dbraw/zinc/00/42/62/697004262.db2.gz LYEYTTDVRZBUSW-MRXNPFEDSA-N 2 1 331.460 1.380 20 0 EDADMP COc1cccc(CCC[NH+]2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001031384797 697004264 /nfs/dbraw/zinc/00/42/64/697004264.db2.gz LYEYTTDVRZBUSW-MRXNPFEDSA-N 2 1 331.460 1.380 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC000940027984 700126206 /nfs/dbraw/zinc/12/62/06/700126206.db2.gz FNNZNDDCINDEOZ-KRWDZBQOSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC000940027984 700126207 /nfs/dbraw/zinc/12/62/07/700126207.db2.gz FNNZNDDCINDEOZ-KRWDZBQOSA-N 2 1 349.519 1.868 20 0 EDADMP C[C@@H](O)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001040821935 697069898 /nfs/dbraw/zinc/06/98/98/697069898.db2.gz JTPJWSBZGXYENP-BBWFWOEESA-N 2 1 337.508 1.412 20 0 EDADMP C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCC[N@H+]1CCc1ccns1 ZINC000994537731 697076827 /nfs/dbraw/zinc/07/68/27/697076827.db2.gz TXKAILJCJDKEMX-ZFWWWQNUSA-N 2 1 333.461 1.551 20 0 EDADMP C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCCN1CCc1ccns1 ZINC000994537731 697076832 /nfs/dbraw/zinc/07/68/32/697076832.db2.gz TXKAILJCJDKEMX-ZFWWWQNUSA-N 2 1 333.461 1.551 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](OC)C2CCCC2)C1 ZINC001031440185 697112156 /nfs/dbraw/zinc/11/21/56/697112156.db2.gz SADBGYCRXNKYME-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](OC)C2CCCC2)C1 ZINC001031440185 697112157 /nfs/dbraw/zinc/11/21/57/697112157.db2.gz SADBGYCRXNKYME-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc3c2CCOC3)C1 ZINC001031584459 697280004 /nfs/dbraw/zinc/28/00/04/697280004.db2.gz CZCBAZRHGCJKOY-IBGZPJMESA-N 2 1 343.471 1.402 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCc2cccc(F)c2)C1 ZINC001031584586 697280124 /nfs/dbraw/zinc/28/01/24/697280124.db2.gz GLBYTHWUIINJJW-SFHVURJKSA-N 2 1 333.451 1.901 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC[N@H+]1C ZINC000920403726 697426667 /nfs/dbraw/zinc/42/66/67/697426667.db2.gz GXHXLLFINHVSNT-PVAVHDDUSA-N 2 1 333.480 1.856 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001031666880 697452373 /nfs/dbraw/zinc/45/23/73/697452373.db2.gz SUKHQJHFCUXBMC-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccn2)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031668203 697459701 /nfs/dbraw/zinc/45/97/01/697459701.db2.gz ATQIVWDLKQWNCN-AEFFLSMTSA-N 2 1 328.460 1.504 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccn2)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031668203 697459702 /nfs/dbraw/zinc/45/97/02/697459702.db2.gz ATQIVWDLKQWNCN-AEFFLSMTSA-N 2 1 328.460 1.504 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668907 697463988 /nfs/dbraw/zinc/46/39/88/697463988.db2.gz RRZXMQXZYZHIOM-RDJZCZTQSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668907 697463989 /nfs/dbraw/zinc/46/39/89/697463989.db2.gz RRZXMQXZYZHIOM-RDJZCZTQSA-N 2 1 332.448 1.405 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)C(C)(C)C[NH+](C)C ZINC000921387875 697587490 /nfs/dbraw/zinc/58/74/90/697587490.db2.gz TXYDLLKQZPIIJA-KKUMJFAQSA-N 2 1 342.553 1.842 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000354921437 700167046 /nfs/dbraw/zinc/16/70/46/700167046.db2.gz ZHUBSUOWBRKDDH-YESZJQIVSA-N 2 1 325.497 1.676 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730613 698119180 /nfs/dbraw/zinc/11/91/80/698119180.db2.gz SGHKRQJLJYEVNJ-GOSISDBHSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730613 698119183 /nfs/dbraw/zinc/11/91/83/698119183.db2.gz SGHKRQJLJYEVNJ-GOSISDBHSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2coc(C)n2)C1 ZINC000995038491 700202479 /nfs/dbraw/zinc/20/24/79/700202479.db2.gz QFBRHTNPPUVJLA-GJZGRUSLSA-N 2 1 331.420 1.563 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2oc(C)nc2C)C1 ZINC000995037804 700214024 /nfs/dbraw/zinc/21/40/24/700214024.db2.gz ONCBOUPVTZYRDX-HZPDHXFCSA-N 2 1 345.447 1.871 20 0 EDADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943518494 698433666 /nfs/dbraw/zinc/43/36/66/698433666.db2.gz SWCYPMBICKOAOH-FUHWJXTLSA-N 2 1 347.507 1.851 20 0 EDADMP C[C@H]1C[N@@H+](CCOc2ccccc2)CC[C@H]1NC(=O)Cc1ncc[nH]1 ZINC000943765228 698814197 /nfs/dbraw/zinc/81/41/97/698814197.db2.gz BQIMEMQCLSXSMV-DOTOQJQBSA-N 2 1 342.443 1.858 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](C)OC)C1 ZINC001032119269 699002158 /nfs/dbraw/zinc/00/21/58/699002158.db2.gz KQSCEAWFHYZHRO-WBVHZDCISA-N 2 1 325.497 1.724 20 0 EDADMP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031766559 699063925 /nfs/dbraw/zinc/06/39/25/699063925.db2.gz KZDDELKABHPMLC-SJLPKXTDSA-N 2 1 335.492 1.620 20 0 EDADMP CC(C)n1cc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)nn1 ZINC000939054479 699114958 /nfs/dbraw/zinc/11/49/58/699114958.db2.gz JSKOZZIEMSGOBT-RHSMWYFYSA-N 2 1 348.495 1.137 20 0 EDADMP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC000939054848 699115359 /nfs/dbraw/zinc/11/53/59/699115359.db2.gz PZHQBSZBHGPUTE-CZUORRHYSA-N 2 1 334.464 1.515 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001031775870 699148135 /nfs/dbraw/zinc/14/81/35/699148135.db2.gz BEIIRJMDXFXIJX-QZTJIDSGSA-N 2 1 331.460 1.252 20 0 EDADMP COc1cc(CN2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)sn1 ZINC001031776691 699168993 /nfs/dbraw/zinc/16/89/93/699168993.db2.gz MNRNKOVKBSELEA-AWEZNQCLSA-N 2 1 338.477 1.184 20 0 EDADMP COc1cc(CN2CC(CNC(=O)[C@@H]3CCCCN3C)C2)sn1 ZINC001031776691 699168996 /nfs/dbraw/zinc/16/89/96/699168996.db2.gz MNRNKOVKBSELEA-AWEZNQCLSA-N 2 1 338.477 1.184 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001031776829 699169575 /nfs/dbraw/zinc/16/95/75/699169575.db2.gz PJIJFSBGGYXOLC-MSOLQXFVSA-N 2 1 337.508 1.460 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000939129771 699227226 /nfs/dbraw/zinc/22/72/26/699227226.db2.gz ZHARRKBPPGBUTB-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567374 701579778 /nfs/dbraw/zinc/57/97/78/701579778.db2.gz SEALGGKYIHTLFN-SJORKVTESA-N 2 1 336.524 1.203 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031805715 699399472 /nfs/dbraw/zinc/39/94/72/699399472.db2.gz BPQDIVDFCYDJGF-QGZVFWFLSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031805715 699399476 /nfs/dbraw/zinc/39/94/76/699399476.db2.gz BPQDIVDFCYDJGF-QGZVFWFLSA-N 2 1 334.464 1.651 20 0 EDADMP CN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446418025 699482808 /nfs/dbraw/zinc/48/28/08/699482808.db2.gz MNIYBTGJMXJBQA-HNNXBMFYSA-N 2 1 339.443 1.402 20 0 EDADMP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941639731 701603266 /nfs/dbraw/zinc/60/32/66/701603266.db2.gz XNLKTUFHPCMHEE-IAGOWNOFSA-N 2 1 336.524 1.203 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)ccn1 ZINC000939748382 699895191 /nfs/dbraw/zinc/89/51/91/699895191.db2.gz PCSLWTOVANJUCU-CZUORRHYSA-N 2 1 343.431 1.232 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)s1 ZINC000939750053 699897414 /nfs/dbraw/zinc/89/74/14/699897414.db2.gz XVEHUBRINYTEDZ-NHYWBVRUSA-N 2 1 347.488 1.902 20 0 EDADMP Cc1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000995054221 700416321 /nfs/dbraw/zinc/41/63/21/700416321.db2.gz LFCUTFYGDHBUCA-GJZGRUSLSA-N 2 1 349.479 1.627 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940328025 700505654 /nfs/dbraw/zinc/50/56/54/700505654.db2.gz CPXIPRMNENOUCS-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000940328366 700506194 /nfs/dbraw/zinc/50/61/94/700506194.db2.gz HUHAISUTMRVIGJ-HOCLYGCPSA-N 2 1 348.491 1.905 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)co1 ZINC000940329491 700508917 /nfs/dbraw/zinc/50/89/17/700508917.db2.gz UQNWTGRWGNIGCC-AWEZNQCLSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000940329580 700509090 /nfs/dbraw/zinc/50/90/90/700509090.db2.gz VRWLUQHJRGPTNI-CXAGYDPISA-N 2 1 348.491 1.960 20 0 EDADMP CC1([NH2+]Cc2cnsn2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427560 700621597 /nfs/dbraw/zinc/62/15/97/700621597.db2.gz JSQOLPRNNJMLLR-UHFFFAOYSA-N 2 1 335.477 1.105 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2nncn2C)CC1 ZINC000940472290 700657566 /nfs/dbraw/zinc/65/75/66/700657566.db2.gz QNZHGFOHPZUZTP-GASCZTMLSA-N 2 1 348.495 1.159 20 0 EDADMP COc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)ccn1 ZINC000940457766 700661627 /nfs/dbraw/zinc/66/16/27/700661627.db2.gz SVQULZACDVMDIQ-MRXNPFEDSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC000940461493 700664572 /nfs/dbraw/zinc/66/45/72/700664572.db2.gz CXWYEWFLJGEANB-HOCLYGCPSA-N 2 1 334.464 1.730 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccn2)CC1(C)C ZINC000940621800 700783274 /nfs/dbraw/zinc/78/32/74/700783274.db2.gz VNFOXHLHMAVEFZ-IRXDYDNUSA-N 2 1 330.476 1.893 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)CC1(C)C ZINC000940621800 700783275 /nfs/dbraw/zinc/78/32/75/700783275.db2.gz VNFOXHLHMAVEFZ-IRXDYDNUSA-N 2 1 330.476 1.893 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)CC1(C)C ZINC000940621800 700783277 /nfs/dbraw/zinc/78/32/77/700783277.db2.gz VNFOXHLHMAVEFZ-IRXDYDNUSA-N 2 1 330.476 1.893 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccn2)CC1(C)C ZINC000940621796 700783323 /nfs/dbraw/zinc/78/33/23/700783323.db2.gz VNFOXHLHMAVEFZ-DLBZAZTESA-N 2 1 330.476 1.893 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)CC1(C)C ZINC000940621796 700783325 /nfs/dbraw/zinc/78/33/25/700783325.db2.gz VNFOXHLHMAVEFZ-DLBZAZTESA-N 2 1 330.476 1.893 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)CC1(C)C ZINC000940621796 700783328 /nfs/dbraw/zinc/78/33/28/700783328.db2.gz VNFOXHLHMAVEFZ-DLBZAZTESA-N 2 1 330.476 1.893 20 0 EDADMP Cn1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)cn1 ZINC000995102602 700910446 /nfs/dbraw/zinc/91/04/46/700910446.db2.gz INAYNPHIVFKLAK-NVXWUHKLSA-N 2 1 347.507 1.527 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940830992 700930700 /nfs/dbraw/zinc/93/07/00/700930700.db2.gz BRAZXHMOQHRNFY-OAGGEKHMSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940830992 700930702 /nfs/dbraw/zinc/93/07/02/700930702.db2.gz BRAZXHMOQHRNFY-OAGGEKHMSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940830992 700930703 /nfs/dbraw/zinc/93/07/03/700930703.db2.gz BRAZXHMOQHRNFY-OAGGEKHMSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940830992 700930705 /nfs/dbraw/zinc/93/07/05/700930705.db2.gz BRAZXHMOQHRNFY-OAGGEKHMSA-N 2 1 325.497 1.578 20 0 EDADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896113 700972890 /nfs/dbraw/zinc/97/28/90/700972890.db2.gz TXOSFSWMLBHXMO-DOMZBBRYSA-N 2 1 343.431 1.038 20 0 EDADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896113 700972891 /nfs/dbraw/zinc/97/28/91/700972891.db2.gz TXOSFSWMLBHXMO-DOMZBBRYSA-N 2 1 343.431 1.038 20 0 EDADMP CC[C@@H](C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1)OC ZINC000940894421 700985442 /nfs/dbraw/zinc/98/54/42/700985442.db2.gz ZVQGRVCKVJOKID-HOTGVXAUSA-N 2 1 336.480 1.833 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1)OC ZINC000940894421 700985444 /nfs/dbraw/zinc/98/54/44/700985444.db2.gz ZVQGRVCKVJOKID-HOTGVXAUSA-N 2 1 336.480 1.833 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](C[C@H]3CCCOC3)C2)C1 ZINC001031916625 701007379 /nfs/dbraw/zinc/00/73/79/701007379.db2.gz CLCQNKRQHOJXQK-SJLPKXTDSA-N 2 1 337.508 1.583 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1)OC ZINC000941002890 701036575 /nfs/dbraw/zinc/03/65/75/701036575.db2.gz PMGOXIOYYBCVAU-IRXDYDNUSA-N 2 1 339.524 1.970 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CCc3cnn(C)c3)C2)C1 ZINC001031919272 701043713 /nfs/dbraw/zinc/04/37/13/701043713.db2.gz QKRQPEHMQUARGY-GOSISDBHSA-N 2 1 347.507 1.133 20 0 EDADMP Cc1ccncc1CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031921572 701063356 /nfs/dbraw/zinc/06/33/56/701063356.db2.gz UQMAXOUPOGGTAS-RDJZCZTQSA-N 2 1 330.476 1.668 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031921572 701063358 /nfs/dbraw/zinc/06/33/58/701063358.db2.gz UQMAXOUPOGGTAS-RDJZCZTQSA-N 2 1 330.476 1.668 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031921572 701063360 /nfs/dbraw/zinc/06/33/60/701063360.db2.gz UQMAXOUPOGGTAS-RDJZCZTQSA-N 2 1 330.476 1.668 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cncn2C)CC1(C)C ZINC000941033711 701076768 /nfs/dbraw/zinc/07/67/68/701076768.db2.gz SNCVTSXKJOREFC-NVXWUHKLSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)CC1(C)C ZINC000941033711 701076771 /nfs/dbraw/zinc/07/67/71/701076771.db2.gz SNCVTSXKJOREFC-NVXWUHKLSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)CC1(C)C ZINC000941033711 701076773 /nfs/dbraw/zinc/07/67/73/701076773.db2.gz SNCVTSXKJOREFC-NVXWUHKLSA-N 2 1 347.507 1.621 20 0 EDADMP Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941162882 701227583 /nfs/dbraw/zinc/22/75/83/701227583.db2.gz AWOSNDITGRLILU-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1nccc1C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941162882 701227586 /nfs/dbraw/zinc/22/75/86/701227586.db2.gz AWOSNDITGRLILU-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1nccc1C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941162882 701227588 /nfs/dbraw/zinc/22/75/88/701227588.db2.gz AWOSNDITGRLILU-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CC([NH2+]Cc2csnn2)C1 ZINC000999169851 706598743 /nfs/dbraw/zinc/59/87/43/706598743.db2.gz VPAMPOLVWINJEP-BCLQGDPASA-N 2 1 349.504 1.492 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)nn1C ZINC000941217399 701403754 /nfs/dbraw/zinc/40/37/54/701403754.db2.gz NTEVZLACVOKNDE-NVXWUHKLSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)nn1C ZINC000941217399 701403756 /nfs/dbraw/zinc/40/37/56/701403756.db2.gz NTEVZLACVOKNDE-NVXWUHKLSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)nn1C ZINC000941217399 701403758 /nfs/dbraw/zinc/40/37/58/701403758.db2.gz NTEVZLACVOKNDE-NVXWUHKLSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)nn1C ZINC000941217399 701403759 /nfs/dbraw/zinc/40/37/59/701403759.db2.gz NTEVZLACVOKNDE-NVXWUHKLSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)c(C)n1 ZINC001031947934 701501839 /nfs/dbraw/zinc/50/18/39/701501839.db2.gz OAEJOYMFXCUGDP-UHFFFAOYSA-N 2 1 330.476 1.588 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC(C)C)C2)CC1 ZINC000941430833 701537733 /nfs/dbraw/zinc/53/77/33/701537733.db2.gz DBXGOWASZUGDEK-SFHVURJKSA-N 2 1 336.524 1.345 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccccn3)C2)C1 ZINC001032128607 701792678 /nfs/dbraw/zinc/79/26/78/701792678.db2.gz HYVOZGLMHDRQHE-FUHWJXTLSA-N 2 1 330.476 1.750 20 0 EDADMP COc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189546 706632071 /nfs/dbraw/zinc/63/20/71/706632071.db2.gz LHDCLXDUTBDHFR-DJIMGWMZSA-N 2 1 346.475 1.511 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC000999192148 706634978 /nfs/dbraw/zinc/63/49/78/706634978.db2.gz DEZDFWLMQYVZSF-IVMMDQJWSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC000999192148 706634980 /nfs/dbraw/zinc/63/49/80/706634980.db2.gz DEZDFWLMQYVZSF-IVMMDQJWSA-N 2 1 336.505 1.872 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCO[C@H]2CC2(F)F)C1 ZINC001032206097 702128407 /nfs/dbraw/zinc/12/84/07/702128407.db2.gz RMZMUNIZYUKDBR-CABCVRRESA-N 2 1 345.434 1.333 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCO[C@H]2CC2(F)F)C1 ZINC001032206097 702128409 /nfs/dbraw/zinc/12/84/09/702128409.db2.gz RMZMUNIZYUKDBR-CABCVRRESA-N 2 1 345.434 1.333 20 0 EDADMP Cc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cc1 ZINC001031980590 702139481 /nfs/dbraw/zinc/13/94/81/702139481.db2.gz WERAXJFASQJAJP-APWZRJJASA-N 2 1 329.488 1.783 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1[NH2+]CC1CC1 ZINC000995900531 702206117 /nfs/dbraw/zinc/20/61/17/702206117.db2.gz YHTVRRLQEKBDSD-ZWKOTPCHSA-N 2 1 349.519 1.866 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnn(C)c3)C2)CC[N@H+]1C ZINC000999204173 706649711 /nfs/dbraw/zinc/64/97/11/706649711.db2.gz DEXSFKZKHJRTEE-IXDOHACOSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995922473 702246084 /nfs/dbraw/zinc/24/60/84/702246084.db2.gz DIGGPMONRJTDPW-CABCVRRESA-N 2 1 337.468 1.291 20 0 EDADMP CCc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032186007 702313682 /nfs/dbraw/zinc/31/36/82/702313682.db2.gz FUHXHZCPVJFCIO-LJQANCHMSA-N 2 1 329.488 1.791 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cncc(C)c2)C1 ZINC000995191827 702328694 /nfs/dbraw/zinc/32/86/94/702328694.db2.gz AWACOVJZURYUJZ-WMZOPIPTSA-N 2 1 341.459 1.970 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000995981903 702340992 /nfs/dbraw/zinc/34/09/92/702340992.db2.gz OEUPLJXHNMKMOT-CABCVRRESA-N 2 1 336.505 1.954 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)on1 ZINC000995984925 702345950 /nfs/dbraw/zinc/34/59/50/702345950.db2.gz VZBUURYUPPNNCA-HOTGVXAUSA-N 2 1 334.464 1.794 20 0 EDADMP Cn1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)cn1 ZINC000995986438 702348088 /nfs/dbraw/zinc/34/80/88/702348088.db2.gz YHXVWYFJUCXBLY-CVEARBPZSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)oc1C ZINC000944153358 702441051 /nfs/dbraw/zinc/44/10/51/702441051.db2.gz HBCIXIZFSCNXLC-CJNGLKHVSA-N 2 1 346.475 1.714 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)oc1C ZINC000944153358 702441057 /nfs/dbraw/zinc/44/10/57/702441057.db2.gz HBCIXIZFSCNXLC-CJNGLKHVSA-N 2 1 346.475 1.714 20 0 EDADMP CC(C)C[C@@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000072915458 702540485 /nfs/dbraw/zinc/54/04/85/702540485.db2.gz CQYUSBLTYFQGRH-GOSISDBHSA-N 2 1 337.508 1.883 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1)[NH+]1CCCC1 ZINC000996137763 702588662 /nfs/dbraw/zinc/58/86/62/702588662.db2.gz SATYPXQXTHJBGP-OAHLLOKOSA-N 2 1 345.491 1.678 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)co1 ZINC000996300070 702691042 /nfs/dbraw/zinc/69/10/42/702691042.db2.gz JPTIOWWXEAEDLF-CZUORRHYSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)co1 ZINC000996300070 702691043 /nfs/dbraw/zinc/69/10/43/702691043.db2.gz JPTIOWWXEAEDLF-CZUORRHYSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cc(CN[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)no1 ZINC000996301463 702693351 /nfs/dbraw/zinc/69/33/51/702693351.db2.gz TXVHOLXWYHACKM-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)no1 ZINC000996301463 702693354 /nfs/dbraw/zinc/69/33/54/702693354.db2.gz TXVHOLXWYHACKM-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nnc(CN[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2(C)C)o1 ZINC000996312306 702701131 /nfs/dbraw/zinc/70/11/31/702701131.db2.gz YQVKXUHOJWPQPE-CQSZACIVSA-N 2 1 349.479 1.437 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256820 702748111 /nfs/dbraw/zinc/74/81/11/702748111.db2.gz HNYDTYILRGPCIX-DOTOQJQBSA-N 2 1 345.491 1.375 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996475504 702807440 /nfs/dbraw/zinc/80/74/40/702807440.db2.gz BGMMGQVDRKYDIN-CZUORRHYSA-N 2 1 349.504 1.493 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996475504 702807443 /nfs/dbraw/zinc/80/74/43/702807443.db2.gz BGMMGQVDRKYDIN-CZUORRHYSA-N 2 1 349.504 1.493 20 0 EDADMP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996476929 702809015 /nfs/dbraw/zinc/80/90/15/702809015.db2.gz JIJQZTZSNWQBCU-XJKSGUPXSA-N 2 1 349.504 1.493 20 0 EDADMP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996476929 702809017 /nfs/dbraw/zinc/80/90/17/702809017.db2.gz JIJQZTZSNWQBCU-XJKSGUPXSA-N 2 1 349.504 1.493 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)o1 ZINC000996478640 702810399 /nfs/dbraw/zinc/81/03/99/702810399.db2.gz SECFFGTWCJNBID-HOCLYGCPSA-N 2 1 347.463 1.333 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)o1 ZINC000996478640 702810401 /nfs/dbraw/zinc/81/04/01/702810401.db2.gz SECFFGTWCJNBID-HOCLYGCPSA-N 2 1 347.463 1.333 20 0 EDADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996522411 702858055 /nfs/dbraw/zinc/85/80/55/702858055.db2.gz ZAOPXICHKNHHKX-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996608233 702911573 /nfs/dbraw/zinc/91/15/73/702911573.db2.gz GZFFXUUSXWKDAV-RHSMWYFYSA-N 2 1 348.491 1.824 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3nccn3C)CC2)CC[N@H+]1C ZINC000996603399 702912963 /nfs/dbraw/zinc/91/29/63/702912963.db2.gz LFJLEKKCGXUTIH-JKSUJKDBSA-N 2 1 333.480 1.231 20 0 EDADMP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000996605258 702914812 /nfs/dbraw/zinc/91/48/12/702914812.db2.gz CDPWBWMIKYRLFU-RHSMWYFYSA-N 2 1 346.475 1.511 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC000996613734 702918547 /nfs/dbraw/zinc/91/85/47/702918547.db2.gz XENZTKQDXZLXHR-HZPDHXFCSA-N 2 1 348.491 1.833 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)s1 ZINC000996663940 702961953 /nfs/dbraw/zinc/96/19/53/702961953.db2.gz BDTLMJLJLYBDSF-UHFFFAOYSA-N 2 1 337.493 1.411 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000996664899 702967118 /nfs/dbraw/zinc/96/71/18/702967118.db2.gz KKJLAWXDBNKCRT-LBPRGKRZSA-N 2 1 335.452 1.504 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000996664899 702967120 /nfs/dbraw/zinc/96/71/20/702967120.db2.gz KKJLAWXDBNKCRT-LBPRGKRZSA-N 2 1 335.452 1.504 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(C)o2)CC1 ZINC000996665170 702967579 /nfs/dbraw/zinc/96/75/79/702967579.db2.gz XDRIBLLGTAEDPX-INIZCTEOSA-N 2 1 334.464 1.938 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000996717423 703010803 /nfs/dbraw/zinc/01/08/03/703010803.db2.gz AAPBEMQDEJQOFG-LJQANCHMSA-N 2 1 345.487 1.744 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000996725124 703019671 /nfs/dbraw/zinc/01/96/71/703019671.db2.gz SBOBXHVESDGQNM-HIFRSBDPSA-N 2 1 348.495 1.493 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000996755160 703043877 /nfs/dbraw/zinc/04/38/77/703043877.db2.gz AXASPWKYFOLLGN-GOSISDBHSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996766214 703057561 /nfs/dbraw/zinc/05/75/61/703057561.db2.gz ZIZMUKMDZZKEQN-KRWDZBQOSA-N 2 1 345.491 1.678 20 0 EDADMP Cc1nc(CN2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)n[nH]1 ZINC000942556269 703070184 /nfs/dbraw/zinc/07/01/84/703070184.db2.gz YMVPHMWAXWIUAV-UKRRQHHQSA-N 2 1 348.495 1.314 20 0 EDADMP CCCN1CC[NH+](C2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC000996804896 703095038 /nfs/dbraw/zinc/09/50/38/703095038.db2.gz YRJTVRJWELGLPY-UHFFFAOYSA-N 2 1 347.507 1.647 20 0 EDADMP C[C@@H]1C[N@H+](Cc2nccs2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596792 703111458 /nfs/dbraw/zinc/11/14/58/703111458.db2.gz GGTJWGHCYASJDK-UKRRQHHQSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2nccs2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596792 703111460 /nfs/dbraw/zinc/11/14/60/703111460.db2.gz GGTJWGHCYASJDK-UKRRQHHQSA-N 2 1 336.505 1.812 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]C[C@H]3CCOC3)CC2)C1 ZINC000996903003 703177680 /nfs/dbraw/zinc/17/76/80/703177680.db2.gz GKARPDCYRUGSDJ-IAGOWNOFSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000942721047 703235442 /nfs/dbraw/zinc/23/54/42/703235442.db2.gz KUHNPQNSBFMVKF-MAUKXSAKSA-N 2 1 333.476 1.223 20 0 EDADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC000996998674 703255510 /nfs/dbraw/zinc/25/55/10/703255510.db2.gz KHWXZIOMDGZZAN-NVXWUHKLSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC000996998674 703255513 /nfs/dbraw/zinc/25/55/13/703255513.db2.gz KHWXZIOMDGZZAN-NVXWUHKLSA-N 2 1 339.524 1.970 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)n1 ZINC000996999318 703256386 /nfs/dbraw/zinc/25/63/86/703256386.db2.gz NORMHMVKVPPCNT-UHFFFAOYSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)n1 ZINC000996999318 703256387 /nfs/dbraw/zinc/25/63/87/703256387.db2.gz NORMHMVKVPPCNT-UHFFFAOYSA-N 2 1 349.479 1.445 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000996996864 703260062 /nfs/dbraw/zinc/26/00/62/703260062.db2.gz AGSAKRFILKEKQI-AWEZNQCLSA-N 2 1 334.439 1.643 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1)c1csnn1 ZINC000997006225 703263472 /nfs/dbraw/zinc/26/34/72/703263472.db2.gz KINGJDSWQZJCNG-QWHCGFSZSA-N 2 1 337.493 1.522 20 0 EDADMP CCn1nncc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000997007848 703265294 /nfs/dbraw/zinc/26/52/94/703265294.db2.gz QXKKTSVFUNOOOC-UHFFFAOYSA-N 2 1 348.495 1.111 20 0 EDADMP Cc1csc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997013453 703273306 /nfs/dbraw/zinc/27/33/06/703273306.db2.gz ZOJTZUXRXXDELM-IUODEOHRSA-N 2 1 336.505 1.730 20 0 EDADMP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997033447 703285963 /nfs/dbraw/zinc/28/59/63/703285963.db2.gz KRMYFDWJMLXHTP-IPELMVKDSA-N 2 1 345.487 1.293 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000997099041 703344260 /nfs/dbraw/zinc/34/42/60/703344260.db2.gz ZAGMUAMFSLPRKA-JFIYKMOQSA-N 2 1 347.507 1.440 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1cnn(C)c1 ZINC001032399742 703413063 /nfs/dbraw/zinc/41/30/63/703413063.db2.gz FENLIHKGDBMXFA-BZSNNMDCSA-N 2 1 345.491 1.121 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1cnn(C)c1 ZINC001032399742 703413064 /nfs/dbraw/zinc/41/30/64/703413064.db2.gz FENLIHKGDBMXFA-BZSNNMDCSA-N 2 1 345.491 1.121 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1cnn(C)c1 ZINC001032399742 703413065 /nfs/dbraw/zinc/41/30/65/703413065.db2.gz FENLIHKGDBMXFA-BZSNNMDCSA-N 2 1 345.491 1.121 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1cnn(C)c1 ZINC001032399742 703413066 /nfs/dbraw/zinc/41/30/66/703413066.db2.gz FENLIHKGDBMXFA-BZSNNMDCSA-N 2 1 345.491 1.121 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997179576 703463810 /nfs/dbraw/zinc/46/38/10/703463810.db2.gz CHLSEVYBQWUBKD-QAPCUYQASA-N 2 1 347.507 1.621 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3coc(C4CC4)n3)CC2)C1 ZINC000997181472 703466081 /nfs/dbraw/zinc/46/60/81/703466081.db2.gz AWNHCTVEMLVAJI-CQSZACIVSA-N 2 1 346.475 1.974 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC000997182043 703466887 /nfs/dbraw/zinc/46/68/87/703466887.db2.gz GCNTWFITHYVGFM-CABCVRRESA-N 2 1 331.464 1.460 20 0 EDADMP CCc1nocc1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997182849 703468050 /nfs/dbraw/zinc/46/80/50/703468050.db2.gz IHVWBOKHOWEUHE-CQSZACIVSA-N 2 1 334.464 1.659 20 0 EDADMP Cc1ccnc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997185080 703473721 /nfs/dbraw/zinc/47/37/21/703473721.db2.gz PGFUPEYJQNCJJX-HNNXBMFYSA-N 2 1 331.464 1.207 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]C[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC000997300431 703543938 /nfs/dbraw/zinc/54/39/38/703543938.db2.gz UWXTUVQCZAKSTL-ZIAGYGMSSA-N 2 1 329.435 1.954 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC000997302455 703545255 /nfs/dbraw/zinc/54/52/55/703545255.db2.gz IVYKMXIHABSYAL-FUHWJXTLSA-N 2 1 331.460 1.252 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000997306641 703565312 /nfs/dbraw/zinc/56/53/12/703565312.db2.gz HLBFZLGSBDETLQ-UHFFFAOYSA-N 2 1 333.436 1.123 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000997362843 703596608 /nfs/dbraw/zinc/59/66/08/703596608.db2.gz CTFLWTWVLQGQIX-QGZVFWFLSA-N 2 1 333.480 1.375 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2ncccn2)CC1 ZINC000997366696 703600394 /nfs/dbraw/zinc/60/03/94/703600394.db2.gz JRRVPZSCHMESTP-WBVHZDCISA-N 2 1 345.491 1.993 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nccnc2C)CC1 ZINC000997367117 703601490 /nfs/dbraw/zinc/60/14/90/703601490.db2.gz UBGVGIXDHVNXHS-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCOCC1 ZINC001032455824 703633540 /nfs/dbraw/zinc/63/35/40/703633540.db2.gz BJVHECHUIDYZRQ-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032455824 703633542 /nfs/dbraw/zinc/63/35/42/703633542.db2.gz BJVHECHUIDYZRQ-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032455824 703633544 /nfs/dbraw/zinc/63/35/44/703633544.db2.gz BJVHECHUIDYZRQ-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)C34CC[NH+](CC3)C4)CC2)no1 ZINC000997389755 703657624 /nfs/dbraw/zinc/65/76/24/703657624.db2.gz IKAWZNVDOMRFGO-OAHLLOKOSA-N 2 1 346.475 1.796 20 0 EDADMP Cc1conc1C[NH+]1CCC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997394804 703659874 /nfs/dbraw/zinc/65/98/74/703659874.db2.gz CRDHQGWZENUEIR-OAHLLOKOSA-N 2 1 346.475 1.796 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2nccs2)CC1 ZINC000997422787 703671300 /nfs/dbraw/zinc/67/13/00/703671300.db2.gz ZDCUHXROBHATHK-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2nccs2)CC1 ZINC000997422787 703671301 /nfs/dbraw/zinc/67/13/01/703671301.db2.gz ZDCUHXROBHATHK-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997515867 703763486 /nfs/dbraw/zinc/76/34/86/703763486.db2.gz ODTATDMCIRILGR-WMLDXEAASA-N 2 1 333.480 1.231 20 0 EDADMP COCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997612815 703910205 /nfs/dbraw/zinc/91/02/05/703910205.db2.gz DYRWSLPNAULKTF-FUHWJXTLSA-N 2 1 339.524 1.827 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ncn1 ZINC000997613800 703913271 /nfs/dbraw/zinc/91/32/71/703913271.db2.gz PYHNYAZSUNPDHD-KRWDZBQOSA-N 2 1 331.464 1.207 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000922533042 703934015 /nfs/dbraw/zinc/93/40/15/703934015.db2.gz MCNZUFDTKVYOHE-GDBMZVCRSA-N 2 1 326.485 1.268 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922533042 703934018 /nfs/dbraw/zinc/93/40/18/703934018.db2.gz MCNZUFDTKVYOHE-GDBMZVCRSA-N 2 1 326.485 1.268 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000922533042 703934019 /nfs/dbraw/zinc/93/40/19/703934019.db2.gz MCNZUFDTKVYOHE-GDBMZVCRSA-N 2 1 326.485 1.268 20 0 EDADMP CCn1cc(CC[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)cn1 ZINC000995550971 703955643 /nfs/dbraw/zinc/95/56/43/703955643.db2.gz KXNCXYCTBBDWJT-IRXDYDNUSA-N 2 1 347.507 1.366 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)s1 ZINC000995554458 703970290 /nfs/dbraw/zinc/97/02/90/703970290.db2.gz WZOJCNMCZFWLBJ-KBPBESRZSA-N 2 1 336.505 1.872 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3cnn(C)n3)C2)C1 ZINC000999292171 706788960 /nfs/dbraw/zinc/78/89/60/706788960.db2.gz XXUYXKFSBOJZSN-UQPPLGOBSA-N 2 1 348.495 1.016 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3cnn(C)n3)C2)C1 ZINC000999292171 706788964 /nfs/dbraw/zinc/78/89/64/706788964.db2.gz XXUYXKFSBOJZSN-UQPPLGOBSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3csnn3)C2)CC[N@@H+]1C ZINC000999295110 706792863 /nfs/dbraw/zinc/79/28/63/706792863.db2.gz YBPJMWXGNZLYGV-YKQCJFHZSA-N 2 1 337.493 1.347 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3csnn3)C2)CC[N@H+]1C ZINC000999295110 706792865 /nfs/dbraw/zinc/79/28/65/706792865.db2.gz YBPJMWXGNZLYGV-YKQCJFHZSA-N 2 1 337.493 1.347 20 0 EDADMP CN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033094547 704177256 /nfs/dbraw/zinc/17/72/56/704177256.db2.gz IQJPCSMHNNBYSX-RHSMWYFYSA-N 2 1 331.464 1.733 20 0 EDADMP CN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033094547 704177259 /nfs/dbraw/zinc/17/72/59/704177259.db2.gz IQJPCSMHNNBYSX-RHSMWYFYSA-N 2 1 331.464 1.733 20 0 EDADMP CN(C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)[C@@H]1CC[NH+](CC2CC2)C1 ZINC001033094547 704177260 /nfs/dbraw/zinc/17/72/60/704177260.db2.gz IQJPCSMHNNBYSX-RHSMWYFYSA-N 2 1 331.464 1.733 20 0 EDADMP CN(C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)[C@@H]1CC[NH+](CC2CC2)C1 ZINC001033094547 704177263 /nfs/dbraw/zinc/17/72/63/704177263.db2.gz IQJPCSMHNNBYSX-RHSMWYFYSA-N 2 1 331.464 1.733 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095349 704181998 /nfs/dbraw/zinc/18/19/98/704181998.db2.gz XMNKYJRNLLQKSY-WMLDXEAASA-N 2 1 333.480 1.979 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095349 704182002 /nfs/dbraw/zinc/18/20/02/704182002.db2.gz XMNKYJRNLLQKSY-WMLDXEAASA-N 2 1 333.480 1.979 20 0 EDADMP CC(C)C[NH+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033095349 704182004 /nfs/dbraw/zinc/18/20/04/704182004.db2.gz XMNKYJRNLLQKSY-WMLDXEAASA-N 2 1 333.480 1.979 20 0 EDADMP CC(C)C[NH+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033095349 704182006 /nfs/dbraw/zinc/18/20/06/704182006.db2.gz XMNKYJRNLLQKSY-WMLDXEAASA-N 2 1 333.480 1.979 20 0 EDADMP CCO[C@@H](C[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(CC)c1)C[NH+](C)C ZINC000922755311 704315453 /nfs/dbraw/zinc/31/54/53/704315453.db2.gz BCGRWWRJEZOVQP-RYQLBKOJSA-N 2 1 338.496 1.927 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999307259 706807399 /nfs/dbraw/zinc/80/73/99/706807399.db2.gz MZASDKJRAXESGW-JKSUJKDBSA-N 2 1 331.464 1.432 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999307259 706807400 /nfs/dbraw/zinc/80/74/00/706807400.db2.gz MZASDKJRAXESGW-JKSUJKDBSA-N 2 1 331.464 1.432 20 0 EDADMP C[NH+]1CCC([NH2+]C[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000922786203 704342893 /nfs/dbraw/zinc/34/28/93/704342893.db2.gz OTNGULOUJKYZKH-KRWDZBQOSA-N 2 1 327.469 1.696 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC3=CCCCC3)C(C)(C)C2)C1 ZINC000995603349 704566675 /nfs/dbraw/zinc/56/66/75/704566675.db2.gz KKAMVFBZSCFOSP-IAGOWNOFSA-N 2 1 335.492 1.644 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC3=CCCCC3)C(C)(C)C2)C1 ZINC000995603349 704566677 /nfs/dbraw/zinc/56/66/77/704566677.db2.gz KKAMVFBZSCFOSP-IAGOWNOFSA-N 2 1 335.492 1.644 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cn(C)nn2)CC1 ZINC000997776200 704677283 /nfs/dbraw/zinc/67/72/83/704677283.db2.gz LSJQGEDESWSWOI-KRWDZBQOSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000997863672 704771034 /nfs/dbraw/zinc/77/10/34/704771034.db2.gz CZWLFZVDVUPMSN-OAHLLOKOSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000997866789 704773304 /nfs/dbraw/zinc/77/33/04/704773304.db2.gz UQCQQMUNSBCAEX-XJKSGUPXSA-N 2 1 348.495 1.487 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944964559 704832398 /nfs/dbraw/zinc/83/23/98/704832398.db2.gz JPKXPPYNJSHLIK-CXAGYDPISA-N 2 1 344.463 1.260 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944964559 704832403 /nfs/dbraw/zinc/83/24/03/704832403.db2.gz JPKXPPYNJSHLIK-CXAGYDPISA-N 2 1 344.463 1.260 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000997947280 705067748 /nfs/dbraw/zinc/06/77/48/705067748.db2.gz CRBCUYGGEWKKQE-MSOLQXFVSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000997947280 705067749 /nfs/dbraw/zinc/06/77/49/705067749.db2.gz CRBCUYGGEWKKQE-MSOLQXFVSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000997947280 705067755 /nfs/dbraw/zinc/06/77/55/705067755.db2.gz CRBCUYGGEWKKQE-MSOLQXFVSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC000997947723 705068170 /nfs/dbraw/zinc/06/81/70/705068170.db2.gz DRCQKQGQWRFMNT-SJORKVTESA-N 2 1 348.495 1.075 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](CCn2cncn2)CC1 ZINC000997947723 705068176 /nfs/dbraw/zinc/06/81/76/705068176.db2.gz DRCQKQGQWRFMNT-SJORKVTESA-N 2 1 348.495 1.075 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](CCn2cncn2)CC1 ZINC000997947723 705068181 /nfs/dbraw/zinc/06/81/81/705068181.db2.gz DRCQKQGQWRFMNT-SJORKVTESA-N 2 1 348.495 1.075 20 0 EDADMP CCc1nc(C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)no1 ZINC000998027116 705214195 /nfs/dbraw/zinc/21/41/95/705214195.db2.gz FRGHEQDWURBXLW-UHFFFAOYSA-N 2 1 349.479 1.302 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000998081269 705302313 /nfs/dbraw/zinc/30/23/13/705302313.db2.gz IBNGRLMZJRMFAZ-KSSFIOAISA-N 2 1 348.466 1.747 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000998107486 705354991 /nfs/dbraw/zinc/35/49/91/705354991.db2.gz XLWPLGORDATRLX-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2COCCN2CC2CCC2)CC1 ZINC000948647939 705423122 /nfs/dbraw/zinc/42/31/22/705423122.db2.gz NVOHCLOYYVCHBW-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@H+]([C@H](C)COC)CC1 ZINC000998177701 705469457 /nfs/dbraw/zinc/46/94/57/705469457.db2.gz UTVGVHKMYOFASK-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CN(CC)CCO1)[C@@H]1CCCN(CCF)CC1 ZINC000998188773 705493848 /nfs/dbraw/zinc/49/38/48/705493848.db2.gz KAPHNASGSLCLRJ-CVEARBPZSA-N 2 1 329.460 1.380 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000998216699 705538428 /nfs/dbraw/zinc/53/84/28/705538428.db2.gz KDUDRZRHICXNHF-CZUORRHYSA-N 2 1 349.479 1.609 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(CO)cc1)[NH+](C)C ZINC001032611849 705585059 /nfs/dbraw/zinc/58/50/59/705585059.db2.gz RVJNRQOKTOYSBO-GBESFXJTSA-N 2 1 345.487 1.550 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(CO)cc1)[NH+](C)C ZINC001032611849 705585061 /nfs/dbraw/zinc/58/50/61/705585061.db2.gz RVJNRQOKTOYSBO-GBESFXJTSA-N 2 1 345.487 1.550 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000998269916 705646623 /nfs/dbraw/zinc/64/66/23/705646623.db2.gz QWWGTOLEFNLBGI-QGZVFWFLSA-N 2 1 334.464 1.589 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000998554628 705989286 /nfs/dbraw/zinc/98/92/86/705989286.db2.gz ZIALTXXDBRBEKX-JXQTWKCFSA-N 2 1 333.436 1.120 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000998554628 705989288 /nfs/dbraw/zinc/98/92/88/705989288.db2.gz ZIALTXXDBRBEKX-JXQTWKCFSA-N 2 1 333.436 1.120 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)oc1C ZINC000998780334 706221693 /nfs/dbraw/zinc/22/16/93/706221693.db2.gz NPSKTGPAIJLUAV-JCYILVPMSA-N 2 1 346.475 1.712 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc1 ZINC000998781282 706222666 /nfs/dbraw/zinc/22/26/66/706222666.db2.gz TVIRDYNPWOBASC-OFLPRAFFSA-N 2 1 343.475 1.206 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)o1 ZINC000998792283 706238814 /nfs/dbraw/zinc/23/88/14/706238814.db2.gz WUGAYGKZOKBPHF-JGVXXWTJSA-N 2 1 334.464 1.711 20 0 EDADMP Cc1cnc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC000998792623 706239493 /nfs/dbraw/zinc/23/94/93/706239493.db2.gz ZKTXYZFELKTDFK-PRLABOORSA-N 2 1 331.464 1.204 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1 ZINC000998792623 706239498 /nfs/dbraw/zinc/23/94/98/706239498.db2.gz ZKTXYZFELKTDFK-PRLABOORSA-N 2 1 331.464 1.204 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC000998792623 706239503 /nfs/dbraw/zinc/23/95/03/706239503.db2.gz ZKTXYZFELKTDFK-PRLABOORSA-N 2 1 331.464 1.204 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1F ZINC000998825785 706272741 /nfs/dbraw/zinc/27/27/41/706272741.db2.gz NFUKOTOVDOIFKR-WMZOPIPTSA-N 2 1 349.450 1.545 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1F ZINC000998825785 706272743 /nfs/dbraw/zinc/27/27/43/706272743.db2.gz NFUKOTOVDOIFKR-WMZOPIPTSA-N 2 1 349.450 1.545 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnoc2C)C1 ZINC000998868206 706297559 /nfs/dbraw/zinc/29/75/59/706297559.db2.gz VOGGACSGMOZOHI-JCYILVPMSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCn4cncc4C3)C2)no1 ZINC000999003062 706442490 /nfs/dbraw/zinc/44/24/90/706442490.db2.gz CGKDEDAJWVMENY-VQCLRJIVSA-N 2 1 343.431 1.521 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCCCO3)C[C@H]2CC1 ZINC000946517175 706519335 /nfs/dbraw/zinc/51/93/35/706519335.db2.gz ALQDBKKITDVBTE-ZSYWTGECSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2CC1 ZINC000946517175 706519339 /nfs/dbraw/zinc/51/93/39/706519339.db2.gz ALQDBKKITDVBTE-ZSYWTGECSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2CC1 ZINC000946517175 706519342 /nfs/dbraw/zinc/51/93/42/706519342.db2.gz ALQDBKKITDVBTE-ZSYWTGECSA-N 2 1 349.519 1.820 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC000999124457 706548828 /nfs/dbraw/zinc/54/88/28/706548828.db2.gz CHONJVSFKOCSJJ-UHFFFAOYSA-N 2 1 345.447 1.830 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999145799 706559844 /nfs/dbraw/zinc/55/98/44/706559844.db2.gz SVSVKHQZVHHNOR-FUHWJXTLSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000999339171 706830531 /nfs/dbraw/zinc/83/05/31/706830531.db2.gz KPOGUSSEFKPMGG-VCANKDNSSA-N 2 1 335.452 1.360 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC000999374897 706869251 /nfs/dbraw/zinc/86/92/51/706869251.db2.gz JJWMJTDBGMQXEQ-HNNXBMFYSA-N 2 1 348.495 1.171 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000999374897 706869254 /nfs/dbraw/zinc/86/92/54/706869254.db2.gz JJWMJTDBGMQXEQ-HNNXBMFYSA-N 2 1 348.495 1.171 20 0 EDADMP COc1ccnc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC000999366079 706880006 /nfs/dbraw/zinc/88/00/06/706880006.db2.gz USPQGGAUNXMOSN-HNNXBMFYSA-N 2 1 346.475 1.655 20 0 EDADMP CCCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999372087 706886659 /nfs/dbraw/zinc/88/66/59/706886659.db2.gz OCDUTNSEQGEBLO-NVXWUHKLSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC000999399244 706893904 /nfs/dbraw/zinc/89/39/04/706893904.db2.gz GKGRMURFVRGSKO-HOTGVXAUSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC000999406959 706916619 /nfs/dbraw/zinc/91/66/19/706916619.db2.gz CCDQVVHWLGQQGT-LRVUVFPRSA-N 2 1 349.479 1.750 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC000999406959 706916620 /nfs/dbraw/zinc/91/66/20/706916620.db2.gz CCDQVVHWLGQQGT-LRVUVFPRSA-N 2 1 349.479 1.750 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(F)cc3)C2)O1 ZINC000999497247 706994964 /nfs/dbraw/zinc/99/49/64/706994964.db2.gz PMMDGVMGZUKPCU-ZTFGCOKTSA-N 2 1 349.450 1.625 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(F)cc3)C2)O1 ZINC000999497247 706994965 /nfs/dbraw/zinc/99/49/65/706994965.db2.gz PMMDGVMGZUKPCU-ZTFGCOKTSA-N 2 1 349.450 1.625 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999571833 707077540 /nfs/dbraw/zinc/07/75/40/707077540.db2.gz AIAUHNPUJIPKDB-MSOLQXFVSA-N 2 1 347.507 1.584 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999687023 707240100 /nfs/dbraw/zinc/24/01/00/707240100.db2.gz DJAJDIBCQKQTFL-FHERZECASA-N 2 1 348.491 1.966 20 0 EDADMP Cc1cc(N2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC001061619493 707277031 /nfs/dbraw/zinc/27/70/31/707277031.db2.gz LNEGQMLOKDUYSX-OAHLLOKOSA-N 2 1 331.464 1.378 20 0 EDADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000999764394 707318831 /nfs/dbraw/zinc/31/88/31/707318831.db2.gz JQTDSUOZPHIFJI-VIHIWDAPSA-N 2 1 333.476 1.230 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033182324 707357021 /nfs/dbraw/zinc/35/70/21/707357021.db2.gz OSWWZSPCZNWWIE-INIZCTEOSA-N 2 1 345.491 1.329 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033182324 707357023 /nfs/dbraw/zinc/35/70/23/707357023.db2.gz OSWWZSPCZNWWIE-INIZCTEOSA-N 2 1 345.491 1.329 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCC3)C2)O1 ZINC001033185337 707369893 /nfs/dbraw/zinc/36/98/93/707369893.db2.gz NYVICOBVDULFPS-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCC3)C2)O1 ZINC001033185337 707369898 /nfs/dbraw/zinc/36/98/98/707369898.db2.gz NYVICOBVDULFPS-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC3CCCC3)C2)O1 ZINC001033185337 707369904 /nfs/dbraw/zinc/36/99/04/707369904.db2.gz NYVICOBVDULFPS-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCCC3)C2)O1 ZINC001033185337 707369910 /nfs/dbraw/zinc/36/99/10/707369910.db2.gz NYVICOBVDULFPS-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2cccnc2C)C1 ZINC000999837942 707409116 /nfs/dbraw/zinc/40/91/16/707409116.db2.gz TXDZYDJJTNYADV-UHFFFAOYSA-N 2 1 327.432 1.674 20 0 EDADMP COc1cccc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)n1 ZINC000999838876 707411171 /nfs/dbraw/zinc/41/11/71/707411171.db2.gz ZPHUAVWFNGXXLD-UHFFFAOYSA-N 2 1 343.431 1.374 20 0 EDADMP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033294785 707419821 /nfs/dbraw/zinc/41/98/21/707419821.db2.gz FNPMNOJMXQYWPH-QZTJIDSGSA-N 2 1 345.491 1.290 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999828799 707457188 /nfs/dbraw/zinc/45/71/88/707457188.db2.gz FXQFPZXDSCZBCB-WLYUNCDWSA-N 2 1 334.464 1.576 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC000999831406 707461534 /nfs/dbraw/zinc/46/15/34/707461534.db2.gz KXIHEOIBANBECU-WLYUNCDWSA-N 2 1 347.463 1.053 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC000999831406 707461536 /nfs/dbraw/zinc/46/15/36/707461536.db2.gz KXIHEOIBANBECU-WLYUNCDWSA-N 2 1 347.463 1.053 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(F)c2F)C1 ZINC000999835345 707469044 /nfs/dbraw/zinc/46/90/44/707469044.db2.gz FGZYJLXDPZDIBI-WLYUNCDWSA-N 2 1 337.414 1.996 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033317604 707505319 /nfs/dbraw/zinc/50/53/19/707505319.db2.gz CFBSGLSWKKJFEI-QGZVFWFLSA-N 2 1 347.507 1.636 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033317604 707505324 /nfs/dbraw/zinc/50/53/24/707505324.db2.gz CFBSGLSWKKJFEI-QGZVFWFLSA-N 2 1 347.507 1.636 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001033320836 707516629 /nfs/dbraw/zinc/51/66/29/707516629.db2.gz XOCMYDUNVUSCQG-QGZVFWFLSA-N 2 1 347.507 1.370 20 0 EDADMP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3CC)C2)n1 ZINC000999876617 707524424 /nfs/dbraw/zinc/52/44/24/707524424.db2.gz PMFMUNKFQUCWTK-DAWZGUTISA-N 2 1 347.507 1.856 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cnns1 ZINC001004893379 707575035 /nfs/dbraw/zinc/57/50/35/707575035.db2.gz DDZLSHLCQBLIBZ-ZFWWWQNUSA-N 2 1 348.476 1.602 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033338507 707613295 /nfs/dbraw/zinc/61/32/95/707613295.db2.gz CJFZDISHYQRTBO-CEXWTWQISA-N 2 1 345.487 1.737 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001033338507 707613297 /nfs/dbraw/zinc/61/32/97/707613297.db2.gz CJFZDISHYQRTBO-CEXWTWQISA-N 2 1 345.487 1.737 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001033338507 707613299 /nfs/dbraw/zinc/61/32/99/707613299.db2.gz CJFZDISHYQRTBO-CEXWTWQISA-N 2 1 345.487 1.737 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCn3cccn3)C2)CC[N@H+]1C ZINC001033358082 707677906 /nfs/dbraw/zinc/67/79/06/707677906.db2.gz GJQISQFYZLZVLU-YESZJQIVSA-N 2 1 333.480 1.146 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCn3cccn3)C2)CC[NH+]1C ZINC001033358082 707677913 /nfs/dbraw/zinc/67/79/13/707677913.db2.gz GJQISQFYZLZVLU-YESZJQIVSA-N 2 1 333.480 1.146 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCn3cccn3)C2)CC[NH+]1C ZINC001033358082 707677917 /nfs/dbraw/zinc/67/79/17/707677917.db2.gz GJQISQFYZLZVLU-YESZJQIVSA-N 2 1 333.480 1.146 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccns3)C2)CC[N@@H+]1C ZINC001033358267 707680490 /nfs/dbraw/zinc/68/04/90/707680490.db2.gz JUWQEZHUCLYEOR-SOUVJXGZSA-N 2 1 336.505 1.906 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccns3)C2)CC[N@H+]1C ZINC001033358267 707680495 /nfs/dbraw/zinc/68/04/95/707680495.db2.gz JUWQEZHUCLYEOR-SOUVJXGZSA-N 2 1 336.505 1.906 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccns3)C2)CC[NH+]1C ZINC001033358267 707680498 /nfs/dbraw/zinc/68/04/98/707680498.db2.gz JUWQEZHUCLYEOR-SOUVJXGZSA-N 2 1 336.505 1.906 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccns3)C2)CC[NH+]1C ZINC001033358267 707680500 /nfs/dbraw/zinc/68/05/00/707680500.db2.gz JUWQEZHUCLYEOR-SOUVJXGZSA-N 2 1 336.505 1.906 20 0 EDADMP Cc1cc(NC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nc(C)[nH+]1 ZINC001060897582 707694866 /nfs/dbraw/zinc/69/48/66/707694866.db2.gz HCAMACLOZYJIKW-OAHLLOKOSA-N 2 1 329.448 1.450 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213539 707709259 /nfs/dbraw/zinc/70/92/59/707709259.db2.gz KVUREZIUKASZHF-CZUORRHYSA-N 2 1 330.432 1.824 20 0 EDADMP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001032725640 707712982 /nfs/dbraw/zinc/71/29/82/707712982.db2.gz XKSNBDZGJCDFIW-WBAXXEDZSA-N 2 1 335.492 1.428 20 0 EDADMP CCOC1CC(C[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001033393580 707729319 /nfs/dbraw/zinc/72/93/19/707729319.db2.gz FUNCOTSUIHABFA-IIIMJFFVSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@@H]1Cc2cc(C[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)ccc2O1 ZINC000921690964 707729351 /nfs/dbraw/zinc/72/93/51/707729351.db2.gz RNBZJQFJODEZTG-GDBMZVCRSA-N 2 1 331.460 1.687 20 0 EDADMP CCn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[NH+](C)C2)cn1 ZINC001032731596 707733760 /nfs/dbraw/zinc/73/37/60/707733760.db2.gz MGNQJLKXVMJVGL-SZMVWBNQSA-N 2 1 345.491 1.072 20 0 EDADMP CCn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[NH+](C)C2)cn1 ZINC001032731596 707733762 /nfs/dbraw/zinc/73/37/62/707733762.db2.gz MGNQJLKXVMJVGL-SZMVWBNQSA-N 2 1 345.491 1.072 20 0 EDADMP CCn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001032731596 707733764 /nfs/dbraw/zinc/73/37/64/707733764.db2.gz MGNQJLKXVMJVGL-SZMVWBNQSA-N 2 1 345.491 1.072 20 0 EDADMP CCn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001032731596 707733765 /nfs/dbraw/zinc/73/37/65/707733765.db2.gz MGNQJLKXVMJVGL-SZMVWBNQSA-N 2 1 345.491 1.072 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001032731671 707734073 /nfs/dbraw/zinc/73/40/73/707734073.db2.gz NYOSTFWNWDKGSX-PMPSAXMXSA-N 2 1 348.516 1.621 20 0 EDADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032731671 707734075 /nfs/dbraw/zinc/73/40/75/707734075.db2.gz NYOSTFWNWDKGSX-PMPSAXMXSA-N 2 1 348.516 1.621 20 0 EDADMP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032731671 707734078 /nfs/dbraw/zinc/73/40/78/707734078.db2.gz NYOSTFWNWDKGSX-PMPSAXMXSA-N 2 1 348.516 1.621 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033397642 707738005 /nfs/dbraw/zinc/73/80/05/707738005.db2.gz ULUWMLKJFACACL-GJZGRUSLSA-N 2 1 345.434 1.285 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)ccn1 ZINC001033415788 707792408 /nfs/dbraw/zinc/79/24/08/707792408.db2.gz KUZXADYNJAOMPT-RDJZCZTQSA-N 2 1 346.475 1.607 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)ccn1 ZINC001033415788 707792410 /nfs/dbraw/zinc/79/24/10/707792410.db2.gz KUZXADYNJAOMPT-RDJZCZTQSA-N 2 1 346.475 1.607 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)ccn1 ZINC001033415788 707792414 /nfs/dbraw/zinc/79/24/14/707792414.db2.gz KUZXADYNJAOMPT-RDJZCZTQSA-N 2 1 346.475 1.607 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)ccn1 ZINC001033415788 707792417 /nfs/dbraw/zinc/79/24/17/707792417.db2.gz KUZXADYNJAOMPT-RDJZCZTQSA-N 2 1 346.475 1.607 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)c1 ZINC001033415693 707792772 /nfs/dbraw/zinc/79/27/72/707792772.db2.gz KBBQHRVTMQRIKD-SJLPKXTDSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC001033415693 707792773 /nfs/dbraw/zinc/79/27/73/707792773.db2.gz KBBQHRVTMQRIKD-SJLPKXTDSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)c1 ZINC001033415693 707792776 /nfs/dbraw/zinc/79/27/76/707792776.db2.gz KBBQHRVTMQRIKD-SJLPKXTDSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)c1 ZINC001033415693 707792779 /nfs/dbraw/zinc/79/27/79/707792779.db2.gz KBBQHRVTMQRIKD-SJLPKXTDSA-N 2 1 330.476 1.907 20 0 EDADMP CCc1onc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033418848 707804007 /nfs/dbraw/zinc/80/40/07/707804007.db2.gz DTZAMFGFICRYDX-HOCLYGCPSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033418848 707804008 /nfs/dbraw/zinc/80/40/08/707804008.db2.gz DTZAMFGFICRYDX-HOCLYGCPSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033418848 707804009 /nfs/dbraw/zinc/80/40/09/707804009.db2.gz DTZAMFGFICRYDX-HOCLYGCPSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033418848 707804010 /nfs/dbraw/zinc/80/40/10/707804010.db2.gz DTZAMFGFICRYDX-HOCLYGCPSA-N 2 1 348.491 1.920 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccnn1C ZINC001004988088 707844350 /nfs/dbraw/zinc/84/43/50/707844350.db2.gz ADXALSJADQAPJF-YOEHRIQHSA-N 2 1 344.463 1.484 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033506432 707976536 /nfs/dbraw/zinc/97/65/36/707976536.db2.gz YZDAJWAYZTXRNX-MAUKXSAKSA-N 2 1 333.476 1.929 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CC[C@@]2(C1)CCC[N@@H+](CC[C@H]1CCCO1)C2 ZINC001040531620 708080402 /nfs/dbraw/zinc/08/04/02/708080402.db2.gz QKCFNXRFEPNCNZ-QUCCMNQESA-N 2 1 349.519 1.966 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001001008406 708082223 /nfs/dbraw/zinc/08/22/23/708082223.db2.gz PVDCRHJENMDALH-QZTJIDSGSA-N 2 1 347.507 1.418 20 0 EDADMP COCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001145464 708107285 /nfs/dbraw/zinc/10/72/85/708107285.db2.gz RXBPHBNDMSAQER-MRXNPFEDSA-N 2 1 332.448 1.149 20 0 EDADMP COCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001145464 708107287 /nfs/dbraw/zinc/10/72/87/708107287.db2.gz RXBPHBNDMSAQER-MRXNPFEDSA-N 2 1 332.448 1.149 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001005180130 708123330 /nfs/dbraw/zinc/12/33/30/708123330.db2.gz QPDAEZZULKNSSH-KRWDZBQOSA-N 2 1 334.439 1.738 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001005180130 708123333 /nfs/dbraw/zinc/12/33/33/708123333.db2.gz QPDAEZZULKNSSH-KRWDZBQOSA-N 2 1 334.439 1.738 20 0 EDADMP CCOC1CC(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001005182035 708127504 /nfs/dbraw/zinc/12/75/04/708127504.db2.gz CDCADVAPVGAJDF-VJFUWPCTSA-N 2 1 337.508 1.819 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001005182600 708128707 /nfs/dbraw/zinc/12/87/07/708128707.db2.gz DRGQBCQZAYRDSI-RBUKOAKNSA-N 2 1 345.487 1.737 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582809 708266458 /nfs/dbraw/zinc/26/64/58/708266458.db2.gz RFSVVDUKPUGDHB-FUHWJXTLSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033582809 708266461 /nfs/dbraw/zinc/26/64/61/708266461.db2.gz RFSVVDUKPUGDHB-FUHWJXTLSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033582809 708266463 /nfs/dbraw/zinc/26/64/63/708266463.db2.gz RFSVVDUKPUGDHB-FUHWJXTLSA-N 2 1 330.476 1.765 20 0 EDADMP CC[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1)OC ZINC001033586562 708277118 /nfs/dbraw/zinc/27/71/18/708277118.db2.gz WRLXSKMSHTYZAP-GJZGRUSLSA-N 2 1 334.464 1.719 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1)OC ZINC001033586562 708277121 /nfs/dbraw/zinc/27/71/21/708277121.db2.gz WRLXSKMSHTYZAP-GJZGRUSLSA-N 2 1 334.464 1.719 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CCCF)CC2)C1 ZINC001001755985 708279210 /nfs/dbraw/zinc/27/92/10/708279210.db2.gz ALFSVKDLFOANMC-INIZCTEOSA-N 2 1 329.460 1.283 20 0 EDADMP CC(C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001756686 708280105 /nfs/dbraw/zinc/28/01/05/708280105.db2.gz ICTUTKASHGLGPP-QGZVFWFLSA-N 2 1 325.497 1.580 20 0 EDADMP C[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3ccc(F)cn3)CC2)CC1 ZINC001001795670 708310356 /nfs/dbraw/zinc/31/03/56/708310356.db2.gz VGZXIRAMKLPKCJ-UHFFFAOYSA-N 2 1 348.466 1.891 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001033584947 708311891 /nfs/dbraw/zinc/31/18/91/708311891.db2.gz CLFSPGQJHVBXLV-HOTGVXAUSA-N 2 1 346.475 1.721 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001033584947 708311894 /nfs/dbraw/zinc/31/18/94/708311894.db2.gz CLFSPGQJHVBXLV-HOTGVXAUSA-N 2 1 346.475 1.721 20 0 EDADMP Cc1conc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001824142 708326497 /nfs/dbraw/zinc/32/64/97/708326497.db2.gz CFCFDQQJLNSNMI-CJNGLKHVSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1conc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001824142 708326502 /nfs/dbraw/zinc/32/65/02/708326502.db2.gz CFCFDQQJLNSNMI-CJNGLKHVSA-N 2 1 334.464 1.509 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2nccs2)CC1 ZINC001001831836 708335914 /nfs/dbraw/zinc/33/59/14/708335914.db2.gz ASWQFNJGWRHHEP-DZGCQCFKSA-N 2 1 336.505 1.669 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2nccs2)CC1 ZINC001001831836 708335917 /nfs/dbraw/zinc/33/59/17/708335917.db2.gz ASWQFNJGWRHHEP-DZGCQCFKSA-N 2 1 336.505 1.669 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC001033654380 708422061 /nfs/dbraw/zinc/42/20/61/708422061.db2.gz ATANYXACTYKGKH-ZWKOTPCHSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC001033654380 708422063 /nfs/dbraw/zinc/42/20/63/708422063.db2.gz ATANYXACTYKGKH-ZWKOTPCHSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC001033654380 708422066 /nfs/dbraw/zinc/42/20/66/708422066.db2.gz ATANYXACTYKGKH-ZWKOTPCHSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C)c1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033664278 708446086 /nfs/dbraw/zinc/44/60/86/708446086.db2.gz FCFMYAPFVKBXPJ-PKOBYXMFSA-N 2 1 344.503 1.737 20 0 EDADMP CN(C)c1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001033664278 708446088 /nfs/dbraw/zinc/44/60/88/708446088.db2.gz FCFMYAPFVKBXPJ-PKOBYXMFSA-N 2 1 344.503 1.737 20 0 EDADMP CN(C)c1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033664278 708446089 /nfs/dbraw/zinc/44/60/89/708446089.db2.gz FCFMYAPFVKBXPJ-PKOBYXMFSA-N 2 1 344.503 1.737 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)cc1F ZINC001033666043 708450180 /nfs/dbraw/zinc/45/01/80/708450180.db2.gz UDGUYRBNWSYLCF-INIZCTEOSA-N 2 1 349.450 1.963 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)cc1F ZINC001033666043 708450182 /nfs/dbraw/zinc/45/01/82/708450182.db2.gz UDGUYRBNWSYLCF-INIZCTEOSA-N 2 1 349.450 1.963 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)cc1 ZINC001033666376 708450632 /nfs/dbraw/zinc/45/06/32/708450632.db2.gz WILPTXYTAKGXSQ-QGZVFWFLSA-N 2 1 342.443 1.933 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)cc1 ZINC001033666376 708450634 /nfs/dbraw/zinc/45/06/34/708450634.db2.gz WILPTXYTAKGXSQ-QGZVFWFLSA-N 2 1 342.443 1.933 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001033666820 708452858 /nfs/dbraw/zinc/45/28/58/708452858.db2.gz ZVHUSAQZCYOGNI-QGZVFWFLSA-N 2 1 327.432 1.628 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC001033666820 708452860 /nfs/dbraw/zinc/45/28/60/708452860.db2.gz ZVHUSAQZCYOGNI-QGZVFWFLSA-N 2 1 327.432 1.628 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033671199 708461644 /nfs/dbraw/zinc/46/16/44/708461644.db2.gz GEJWLXYVZBVPQR-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033671199 708461646 /nfs/dbraw/zinc/46/16/46/708461646.db2.gz GEJWLXYVZBVPQR-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001033671199 708461648 /nfs/dbraw/zinc/46/16/48/708461648.db2.gz GEJWLXYVZBVPQR-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001033671199 708461650 /nfs/dbraw/zinc/46/16/50/708461650.db2.gz GEJWLXYVZBVPQR-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001033687197 708502633 /nfs/dbraw/zinc/50/26/33/708502633.db2.gz ZQUXEBBXYULRBF-HOTGVXAUSA-N 2 1 334.464 1.890 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001033687197 708502635 /nfs/dbraw/zinc/50/26/35/708502635.db2.gz ZQUXEBBXYULRBF-HOTGVXAUSA-N 2 1 334.464 1.890 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001033687197 708502637 /nfs/dbraw/zinc/50/26/37/708502637.db2.gz ZQUXEBBXYULRBF-HOTGVXAUSA-N 2 1 334.464 1.890 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001033687197 708502638 /nfs/dbraw/zinc/50/26/38/708502638.db2.gz ZQUXEBBXYULRBF-HOTGVXAUSA-N 2 1 334.464 1.890 20 0 EDADMP O=C(NCC1CC[NH+](Cc2ccc(F)cn2)CC1)C12CC[NH+](CC1)C2 ZINC001002042172 708563556 /nfs/dbraw/zinc/56/35/56/708563556.db2.gz BVBQNHJXAFDQJJ-UHFFFAOYSA-N 2 1 346.450 1.645 20 0 EDADMP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001002122538 708637196 /nfs/dbraw/zinc/63/71/96/708637196.db2.gz DKVBJEZMEWYPSH-KRWDZBQOSA-N 2 1 331.464 1.065 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033839727 708869816 /nfs/dbraw/zinc/86/98/16/708869816.db2.gz UWZJZFNWWJQHKY-KBAYOESNSA-N 2 1 337.508 1.676 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033839727 708869819 /nfs/dbraw/zinc/86/98/19/708869819.db2.gz UWZJZFNWWJQHKY-KBAYOESNSA-N 2 1 337.508 1.676 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033839727 708869822 /nfs/dbraw/zinc/86/98/22/708869822.db2.gz UWZJZFNWWJQHKY-KBAYOESNSA-N 2 1 337.508 1.676 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001033932055 709099109 /nfs/dbraw/zinc/09/91/09/709099109.db2.gz GCORHASQVGCTQJ-DLBZAZTESA-N 2 1 325.497 1.414 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001033932055 709099111 /nfs/dbraw/zinc/09/91/11/709099111.db2.gz GCORHASQVGCTQJ-DLBZAZTESA-N 2 1 325.497 1.414 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001033932055 709099113 /nfs/dbraw/zinc/09/91/13/709099113.db2.gz GCORHASQVGCTQJ-DLBZAZTESA-N 2 1 325.497 1.414 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001033940930 709147582 /nfs/dbraw/zinc/14/75/82/709147582.db2.gz LRSPEKTWXKLMJY-FUHWJXTLSA-N 2 1 337.508 1.678 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001034014835 709230087 /nfs/dbraw/zinc/23/00/87/709230087.db2.gz DSBNJYKEDRXKRX-QZTJIDSGSA-N 2 1 349.519 1.964 20 0 EDADMP CCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946824311 709328430 /nfs/dbraw/zinc/32/84/30/709328430.db2.gz JAPFNUFAYUUCIC-HDICACEKSA-N 2 1 337.508 1.679 20 0 EDADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946824311 709328433 /nfs/dbraw/zinc/32/84/33/709328433.db2.gz JAPFNUFAYUUCIC-HDICACEKSA-N 2 1 337.508 1.679 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(Cc2ccc(F)cn2)C1 ZINC001034139157 709389024 /nfs/dbraw/zinc/38/90/24/709389024.db2.gz RQZZZJYOAXRHHA-IRXDYDNUSA-N 2 1 334.439 1.786 20 0 EDADMP CN1CCC[C@H]1C(=O)N[C@H]1CCCCN(Cc2ccc(F)cn2)C1 ZINC001034139157 709389028 /nfs/dbraw/zinc/38/90/28/709389028.db2.gz RQZZZJYOAXRHHA-IRXDYDNUSA-N 2 1 334.439 1.786 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCCN(Cc2ccc(F)cn2)C1 ZINC001034139156 709389348 /nfs/dbraw/zinc/38/93/48/709389348.db2.gz RQZZZJYOAXRHHA-IAGOWNOFSA-N 2 1 334.439 1.786 20 0 EDADMP CN1CCC[C@@H]1C(=O)N[C@@H]1CCCCN(Cc2ccc(F)cn2)C1 ZINC001034139156 709389350 /nfs/dbraw/zinc/38/93/50/709389350.db2.gz RQZZZJYOAXRHHA-IAGOWNOFSA-N 2 1 334.439 1.786 20 0 EDADMP CN1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001034148197 709418879 /nfs/dbraw/zinc/41/88/79/709418879.db2.gz GKQMOBGQMUFBQQ-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CCCC3)C2)C1 ZINC001034148197 709418880 /nfs/dbraw/zinc/41/88/80/709418880.db2.gz GKQMOBGQMUFBQQ-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CCCC3)C2)C1 ZINC001034148197 709418881 /nfs/dbraw/zinc/41/88/81/709418881.db2.gz GKQMOBGQMUFBQQ-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCC3CCCC3)C2)C1 ZINC001034148197 709418882 /nfs/dbraw/zinc/41/88/82/709418882.db2.gz GKQMOBGQMUFBQQ-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001034148197 709418883 /nfs/dbraw/zinc/41/88/83/709418883.db2.gz GKQMOBGQMUFBQQ-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3CC)C2)cn1 ZINC001016337388 709459559 /nfs/dbraw/zinc/45/95/59/709459559.db2.gz GZEBALLJFYIKAI-MSOLQXFVSA-N 2 1 347.507 1.510 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)cn1 ZINC001016337388 709459560 /nfs/dbraw/zinc/45/95/60/709459560.db2.gz GZEBALLJFYIKAI-MSOLQXFVSA-N 2 1 347.507 1.510 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)cn1 ZINC001016337388 709459561 /nfs/dbraw/zinc/45/95/61/709459561.db2.gz GZEBALLJFYIKAI-MSOLQXFVSA-N 2 1 347.507 1.510 20 0 EDADMP CCn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034214981 709568537 /nfs/dbraw/zinc/56/85/37/709568537.db2.gz STBMHSQVTYOJMN-HLLBOEOZSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1nncc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034214981 709568543 /nfs/dbraw/zinc/56/85/43/709568543.db2.gz STBMHSQVTYOJMN-HLLBOEOZSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1nncc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214981 709568546 /nfs/dbraw/zinc/56/85/46/709568546.db2.gz STBMHSQVTYOJMN-HLLBOEOZSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1nncc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034214981 709568550 /nfs/dbraw/zinc/56/85/50/709568550.db2.gz STBMHSQVTYOJMN-HLLBOEOZSA-N 2 1 348.495 1.109 20 0 EDADMP CC[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340537 709804028 /nfs/dbraw/zinc/80/40/28/709804028.db2.gz QRQMOXBYLQJYGO-LSDHHAIUSA-N 2 1 338.496 1.095 20 0 EDADMP CC[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340537 709804032 /nfs/dbraw/zinc/80/40/32/709804032.db2.gz QRQMOXBYLQJYGO-LSDHHAIUSA-N 2 1 338.496 1.095 20 0 EDADMP Cc1nccnc1C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034375711 709870204 /nfs/dbraw/zinc/87/02/04/709870204.db2.gz FAWAMXHSIQKCTN-QGZVFWFLSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034375711 709870209 /nfs/dbraw/zinc/87/02/09/709870209.db2.gz FAWAMXHSIQKCTN-QGZVFWFLSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nocc1C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378079 709899096 /nfs/dbraw/zinc/89/90/96/709899096.db2.gz PCUNNANAPFMKGO-QGZVFWFLSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nocc1C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378079 709899097 /nfs/dbraw/zinc/89/90/97/709899097.db2.gz PCUNNANAPFMKGO-QGZVFWFLSA-N 2 1 334.464 1.796 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC001034378264 709899244 /nfs/dbraw/zinc/89/92/44/709899244.db2.gz QNEUQTQOULTALL-AEFFLSMTSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCn3cccn3)C2)CC1 ZINC001034378707 709900550 /nfs/dbraw/zinc/90/05/50/709900550.db2.gz WRZCYFDCIAUOKL-KRWDZBQOSA-N 2 1 333.480 1.196 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)on1 ZINC001034398480 709940361 /nfs/dbraw/zinc/94/03/61/709940361.db2.gz NUTQUOKFFMJBCD-HZPDHXFCSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)on1 ZINC001034398480 709940364 /nfs/dbraw/zinc/94/03/64/709940364.db2.gz NUTQUOKFFMJBCD-HZPDHXFCSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)on1 ZINC001034398480 709940367 /nfs/dbraw/zinc/94/03/67/709940367.db2.gz NUTQUOKFFMJBCD-HZPDHXFCSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)on1 ZINC001034398480 709940371 /nfs/dbraw/zinc/94/03/71/709940371.db2.gz NUTQUOKFFMJBCD-HZPDHXFCSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CC3CCOCC3)C2)C1 ZINC001034399659 709942589 /nfs/dbraw/zinc/94/25/89/709942589.db2.gz UESKZDZBCDTYHZ-WMZOPIPTSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CC3CCOCC3)C2)C1 ZINC001034399659 709942593 /nfs/dbraw/zinc/94/25/93/709942593.db2.gz UESKZDZBCDTYHZ-WMZOPIPTSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CC3CCOCC3)C2)C1 ZINC001034399659 709942595 /nfs/dbraw/zinc/94/25/95/709942595.db2.gz UESKZDZBCDTYHZ-WMZOPIPTSA-N 2 1 337.508 1.726 20 0 EDADMP Cn1nccc1C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034491440 710111655 /nfs/dbraw/zinc/11/16/55/710111655.db2.gz UWTGZJJWNGJPJB-JKSUJKDBSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1nccc1C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034491440 710111656 /nfs/dbraw/zinc/11/16/56/710111656.db2.gz UWTGZJJWNGJPJB-JKSUJKDBSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1nccc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034491440 710111657 /nfs/dbraw/zinc/11/16/57/710111657.db2.gz UWTGZJJWNGJPJB-JKSUJKDBSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1nccc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034491440 710111658 /nfs/dbraw/zinc/11/16/58/710111658.db2.gz UWTGZJJWNGJPJB-JKSUJKDBSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)ncn1 ZINC001034491774 710112575 /nfs/dbraw/zinc/11/25/75/710112575.db2.gz XBWBCHXGYLYQLI-INIZCTEOSA-N 2 1 343.475 1.352 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)ncn1 ZINC001034491774 710112578 /nfs/dbraw/zinc/11/25/78/710112578.db2.gz XBWBCHXGYLYQLI-INIZCTEOSA-N 2 1 343.475 1.352 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003245104 710168652 /nfs/dbraw/zinc/16/86/52/710168652.db2.gz VJCZXGWKMRWLLJ-HNNXBMFYSA-N 2 1 343.475 1.747 20 0 EDADMP COc1cccc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034525416 710175518 /nfs/dbraw/zinc/17/55/18/710175518.db2.gz MHWXWSTUXYWCMK-DOTOQJQBSA-N 2 1 346.475 1.513 20 0 EDADMP COc1cccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034525416 710175521 /nfs/dbraw/zinc/17/55/21/710175521.db2.gz MHWXWSTUXYWCMK-DOTOQJQBSA-N 2 1 346.475 1.513 20 0 EDADMP COc1cccc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525416 710175523 /nfs/dbraw/zinc/17/55/23/710175523.db2.gz MHWXWSTUXYWCMK-DOTOQJQBSA-N 2 1 346.475 1.513 20 0 EDADMP COc1cccc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525416 710175525 /nfs/dbraw/zinc/17/55/25/710175525.db2.gz MHWXWSTUXYWCMK-DOTOQJQBSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034526207 710178055 /nfs/dbraw/zinc/17/80/55/710178055.db2.gz VYSLYLKIMUDESO-IAGOWNOFSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034526207 710178058 /nfs/dbraw/zinc/17/80/58/710178058.db2.gz VYSLYLKIMUDESO-IAGOWNOFSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034526207 710178063 /nfs/dbraw/zinc/17/80/63/710178063.db2.gz VYSLYLKIMUDESO-IAGOWNOFSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034526207 710178065 /nfs/dbraw/zinc/17/80/65/710178065.db2.gz VYSLYLKIMUDESO-IAGOWNOFSA-N 2 1 346.475 1.513 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@H]2COc3ccccc3O2)C1 ZINC001032838272 710279183 /nfs/dbraw/zinc/27/91/83/710279183.db2.gz FKONBQRODBFKDG-OWCLPIDISA-N 2 1 345.443 1.111 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@H]2COc3ccccc3O2)C1 ZINC001032838272 710279186 /nfs/dbraw/zinc/27/91/86/710279186.db2.gz FKONBQRODBFKDG-OWCLPIDISA-N 2 1 345.443 1.111 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H]2COc3ccccc3O2)C1 ZINC001032838272 710279188 /nfs/dbraw/zinc/27/91/88/710279188.db2.gz FKONBQRODBFKDG-OWCLPIDISA-N 2 1 345.443 1.111 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H]2COc3ccccc3O2)C1 ZINC001032838272 710279190 /nfs/dbraw/zinc/27/91/90/710279190.db2.gz FKONBQRODBFKDG-OWCLPIDISA-N 2 1 345.443 1.111 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001034647281 710323608 /nfs/dbraw/zinc/32/36/08/710323608.db2.gz COEMORZYAJMJOZ-QBPKDAKJSA-N 2 1 345.491 1.642 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccnc3)CC2)CC[N@H+]1C ZINC001034647934 710324564 /nfs/dbraw/zinc/32/45/64/710324564.db2.gz UACPTKZQBRCLFH-VDHUWJSZSA-N 2 1 330.476 1.939 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001003624909 710454316 /nfs/dbraw/zinc/45/43/16/710454316.db2.gz XTTWDQMGIXYURX-OAHLLOKOSA-N 2 1 346.475 1.655 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003624909 710454317 /nfs/dbraw/zinc/45/43/17/710454317.db2.gz XTTWDQMGIXYURX-OAHLLOKOSA-N 2 1 346.475 1.655 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC001003626513 710455813 /nfs/dbraw/zinc/45/58/13/710455813.db2.gz RJPVOCXMDBFYCR-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC001003626513 710455816 /nfs/dbraw/zinc/45/58/16/710455816.db2.gz RJPVOCXMDBFYCR-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CCc2ccns2)CC1 ZINC001003627991 710457733 /nfs/dbraw/zinc/45/77/33/710457733.db2.gz LGUVTATXIXLMSD-CQSZACIVSA-N 2 1 336.505 1.751 20 0 EDADMP Cc1noc(CCC[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC001003628982 710458927 /nfs/dbraw/zinc/45/89/27/710458927.db2.gz VXTHZFUSOMUUNW-CQSZACIVSA-N 2 1 349.479 1.376 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](CC[C@@H]3CCOC3)CC2)C1 ZINC001003632396 710461011 /nfs/dbraw/zinc/46/10/11/710461011.db2.gz ZMJVUGXESPCPCC-MRXNPFEDSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000922264899 710550490 /nfs/dbraw/zinc/55/04/90/710550490.db2.gz YAIYWUZYYXDSOX-QGZVFWFLSA-N 2 1 330.476 1.902 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)co1 ZINC001034673512 710611375 /nfs/dbraw/zinc/61/13/75/710611375.db2.gz BZOFBOLWNKVPJE-ZOBUZTSGSA-N 2 1 334.464 1.984 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[NH+]3CCC(C)CC3)CC2)on1 ZINC001003841236 710675150 /nfs/dbraw/zinc/67/51/50/710675150.db2.gz LASRFDOZHIECAG-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)n1 ZINC001034716573 710858524 /nfs/dbraw/zinc/85/85/24/710858524.db2.gz MKYYKPFZEMMMDU-TUUVXOQKSA-N 2 1 349.479 1.625 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)n1 ZINC001034716573 710858530 /nfs/dbraw/zinc/85/85/30/710858530.db2.gz MKYYKPFZEMMMDU-TUUVXOQKSA-N 2 1 349.479 1.625 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC001034734964 710918563 /nfs/dbraw/zinc/91/85/63/710918563.db2.gz CSAWPDOMNGBTJA-BRWVUGGUSA-N 2 1 347.507 1.904 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001034737812 710951008 /nfs/dbraw/zinc/95/10/08/710951008.db2.gz NGVGGIRTUKVIQO-NGFQHRJXSA-N 2 1 335.452 1.093 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001034737812 710951010 /nfs/dbraw/zinc/95/10/10/710951010.db2.gz NGVGGIRTUKVIQO-NGFQHRJXSA-N 2 1 335.452 1.093 20 0 EDADMP CCc1onc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032958455 710951029 /nfs/dbraw/zinc/95/10/29/710951029.db2.gz AIACOMVXEOMZPS-GOEBONIOSA-N 2 1 334.464 1.672 20 0 EDADMP CCc1onc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032958455 710951035 /nfs/dbraw/zinc/95/10/35/710951035.db2.gz AIACOMVXEOMZPS-GOEBONIOSA-N 2 1 334.464 1.672 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032958455 710951037 /nfs/dbraw/zinc/95/10/37/710951037.db2.gz AIACOMVXEOMZPS-GOEBONIOSA-N 2 1 334.464 1.672 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032958455 710951042 /nfs/dbraw/zinc/95/10/42/710951042.db2.gz AIACOMVXEOMZPS-GOEBONIOSA-N 2 1 334.464 1.672 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)CC2)n1 ZINC001034762384 710999602 /nfs/dbraw/zinc/99/96/02/710999602.db2.gz DEUDZXZPKKTSQP-WKILWMFISA-N 2 1 349.479 1.627 20 0 EDADMP Cc1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032978110 711096324 /nfs/dbraw/zinc/09/63/24/711096324.db2.gz XGVWPWVLFGEHPG-QZTJIDSGSA-N 2 1 331.460 1.358 20 0 EDADMP Cc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032978110 711096326 /nfs/dbraw/zinc/09/63/26/711096326.db2.gz XGVWPWVLFGEHPG-QZTJIDSGSA-N 2 1 331.460 1.358 20 0 EDADMP Cc1ccccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032978110 711096328 /nfs/dbraw/zinc/09/63/28/711096328.db2.gz XGVWPWVLFGEHPG-QZTJIDSGSA-N 2 1 331.460 1.358 20 0 EDADMP Cc1ccccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032978110 711096331 /nfs/dbraw/zinc/09/63/31/711096331.db2.gz XGVWPWVLFGEHPG-QZTJIDSGSA-N 2 1 331.460 1.358 20 0 EDADMP CCc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)n1 ZINC001034794181 711109382 /nfs/dbraw/zinc/10/93/82/711109382.db2.gz ZVSPLWMPCGETEQ-KKUMJFAQSA-N 2 1 349.479 1.806 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC001034796258 711116241 /nfs/dbraw/zinc/11/62/41/711116241.db2.gz GTMRZOIWPDIITK-SDADXPQNSA-N 2 1 349.479 1.768 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC001034792678 711120397 /nfs/dbraw/zinc/12/03/97/711120397.db2.gz KPBWCGIBACGBMG-CADBVGFASA-N 2 1 345.487 1.689 20 0 EDADMP CCc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034792889 711121087 /nfs/dbraw/zinc/12/10/87/711121087.db2.gz NXLGXQCWZFWWGM-XGUBFFRZSA-N 2 1 349.479 1.662 20 0 EDADMP CCc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034792889 711121093 /nfs/dbraw/zinc/12/10/93/711121093.db2.gz NXLGXQCWZFWWGM-XGUBFFRZSA-N 2 1 349.479 1.662 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001003971472 711122708 /nfs/dbraw/zinc/12/27/08/711122708.db2.gz PYFMQZFBKBLWQJ-KRWDZBQOSA-N 2 1 345.487 1.988 20 0 EDADMP O=C(NC1CC[NH+](Cc2cc(C3CC3)no2)CC1)C12CC[NH+](CC1)C2 ZINC001003986371 711192135 /nfs/dbraw/zinc/19/21/35/711192135.db2.gz WYLLNOFJUIWYTJ-UHFFFAOYSA-N 2 1 344.459 1.728 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C2CC2)no1 ZINC001034884524 711288240 /nfs/dbraw/zinc/28/82/40/711288240.db2.gz ISFXNSRFROHTNL-PBHICJAKSA-N 2 1 332.448 1.727 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn3ccccc13)C2 ZINC000922387768 711428236 /nfs/dbraw/zinc/42/82/36/711428236.db2.gz MWHLYIPLUNKXBG-YSHGAJCASA-N 2 1 328.460 1.904 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cnn(C)c2)C1 ZINC001034958885 711432877 /nfs/dbraw/zinc/43/28/77/711432877.db2.gz NPJQJTAGGPGSPJ-ZWKOTPCHSA-N 2 1 347.507 1.479 20 0 EDADMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3nccnc3OC)C2)[C@H]1C(C)C ZINC000922392687 711458097 /nfs/dbraw/zinc/45/80/97/711458097.db2.gz GDAJCEFANPXHFL-IIVZCXTMSA-N 2 1 334.464 1.445 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3nccnc3OC)C2)[C@H]1C(C)C ZINC000922392687 711458098 /nfs/dbraw/zinc/45/80/98/711458098.db2.gz GDAJCEFANPXHFL-IIVZCXTMSA-N 2 1 334.464 1.445 20 0 EDADMP CCOc1cccc(CN2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001004145095 711553763 /nfs/dbraw/zinc/55/37/63/711553763.db2.gz SKGQBLLRGXSKAY-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP CCOc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001004145095 711553764 /nfs/dbraw/zinc/55/37/64/711553764.db2.gz SKGQBLLRGXSKAY-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP CCOc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001004145095 711553765 /nfs/dbraw/zinc/55/37/65/711553765.db2.gz SKGQBLLRGXSKAY-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)C1 ZINC001004149507 711563367 /nfs/dbraw/zinc/56/33/67/711563367.db2.gz KGCKQVUDJDAYLZ-KBXCAEBGSA-N 2 1 349.450 1.391 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H](C)O)C[C@H]2CC1 ZINC000946615781 711853795 /nfs/dbraw/zinc/85/37/95/711853795.db2.gz RNBJWCIGIGZTRW-BDXSIMOUSA-N 2 1 337.508 1.412 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2CC1 ZINC000946615781 711853797 /nfs/dbraw/zinc/85/37/97/711853797.db2.gz RNBJWCIGIGZTRW-BDXSIMOUSA-N 2 1 337.508 1.412 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]2CC1 ZINC000946615781 711853798 /nfs/dbraw/zinc/85/37/98/711853798.db2.gz RNBJWCIGIGZTRW-BDXSIMOUSA-N 2 1 337.508 1.412 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2conc2C)C1 ZINC001033127549 711878035 /nfs/dbraw/zinc/87/80/35/711878035.db2.gz VSOOWKBTDKZRKC-DLBZAZTESA-N 2 1 334.464 1.890 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2conc2C)C1 ZINC001033127549 711878037 /nfs/dbraw/zinc/87/80/37/711878037.db2.gz VSOOWKBTDKZRKC-DLBZAZTESA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2conc2C)C1 ZINC001033127549 711878040 /nfs/dbraw/zinc/87/80/40/711878040.db2.gz VSOOWKBTDKZRKC-DLBZAZTESA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2conc2C)C1 ZINC001033127549 711878044 /nfs/dbraw/zinc/87/80/44/711878044.db2.gz VSOOWKBTDKZRKC-DLBZAZTESA-N 2 1 334.464 1.890 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C1CCOCC1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033140773 711940340 /nfs/dbraw/zinc/94/03/40/711940340.db2.gz JIRJINQFPPSTPL-QZTJIDSGSA-N 2 1 335.492 1.573 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)[C@@H]1CC[NH+](CC2CC2)C1 ZINC001033140773 711940342 /nfs/dbraw/zinc/94/03/42/711940342.db2.gz JIRJINQFPPSTPL-QZTJIDSGSA-N 2 1 335.492 1.573 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCOCC1)[C@@H]1CC[NH+](CC2CC2)C1 ZINC001033140773 711940344 /nfs/dbraw/zinc/94/03/44/711940344.db2.gz JIRJINQFPPSTPL-QZTJIDSGSA-N 2 1 335.492 1.573 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631743 712023183 /nfs/dbraw/zinc/02/31/83/712023183.db2.gz WXXRKEJROIHDRA-KSZLIROESA-N 2 1 337.508 1.678 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631743 712023184 /nfs/dbraw/zinc/02/31/84/712023184.db2.gz WXXRKEJROIHDRA-KSZLIROESA-N 2 1 337.508 1.678 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631743 712023185 /nfs/dbraw/zinc/02/31/85/712023185.db2.gz WXXRKEJROIHDRA-KSZLIROESA-N 2 1 337.508 1.678 20 0 EDADMP C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001004598311 712041309 /nfs/dbraw/zinc/04/13/09/712041309.db2.gz WDBRFMFYJRBWBS-ZBFHGGJFSA-N 2 1 348.491 1.771 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CCC([C@H]2CCC[N@H+]2Cc2ccon2)CC1 ZINC001004618377 712078751 /nfs/dbraw/zinc/07/87/51/712078751.db2.gz WBHLQEYIJOVYPD-GOSISDBHSA-N 2 1 346.475 1.973 20 0 EDADMP CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946642292 712126405 /nfs/dbraw/zinc/12/64/05/712126405.db2.gz CMBKHMNNDWZHFQ-CALCHBBNSA-N 2 1 337.508 1.535 20 0 EDADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644516 712151525 /nfs/dbraw/zinc/15/15/25/712151525.db2.gz FWSKFNMNIFEYBX-FJIDUMEYSA-N 2 1 337.508 1.676 20 0 EDADMP COC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946644516 712151529 /nfs/dbraw/zinc/15/15/29/712151529.db2.gz FWSKFNMNIFEYBX-FJIDUMEYSA-N 2 1 337.508 1.676 20 0 EDADMP COC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC[C@@H]2C1 ZINC000946644516 712151531 /nfs/dbraw/zinc/15/15/31/712151531.db2.gz FWSKFNMNIFEYBX-FJIDUMEYSA-N 2 1 337.508 1.676 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000333705975 282115880 /nfs/dbraw/zinc/11/58/80/282115880.db2.gz SCDRALRJSQLCFN-HUUCEWRRSA-N 2 1 334.468 1.393 20 0 EDADMP Cn1cc(N2CCC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C2=O)cn1 ZINC000173778325 231030607 /nfs/dbraw/zinc/03/06/07/231030607.db2.gz UCSZHEDDSCLEKA-CVEARBPZSA-N 2 1 335.496 1.872 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C1 ZINC000363877929 282191218 /nfs/dbraw/zinc/19/12/18/282191218.db2.gz XJYDMXIAQJYMRC-JKSUJKDBSA-N 2 1 347.507 1.714 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C1 ZINC000363877929 282191220 /nfs/dbraw/zinc/19/12/20/282191220.db2.gz XJYDMXIAQJYMRC-JKSUJKDBSA-N 2 1 347.507 1.714 20 0 EDADMP Cc1nn(C)c2ncc(C[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cc12 ZINC000261683671 282289151 /nfs/dbraw/zinc/28/91/51/282289151.db2.gz AKQHAHUFKRESNR-HNNXBMFYSA-N 2 1 344.463 1.096 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000174354615 530053645 /nfs/dbraw/zinc/05/36/45/530053645.db2.gz YAHCJMZYTYQGAV-UHFFFAOYSA-N 2 1 338.540 1.641 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000560519367 306273325 /nfs/dbraw/zinc/27/33/25/306273325.db2.gz QCCPYOXWBWFWAM-QGZVFWFLSA-N 2 1 336.455 1.993 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000560519367 306273326 /nfs/dbraw/zinc/27/33/26/306273326.db2.gz QCCPYOXWBWFWAM-QGZVFWFLSA-N 2 1 336.455 1.993 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000560519367 306273327 /nfs/dbraw/zinc/27/33/27/306273327.db2.gz QCCPYOXWBWFWAM-QGZVFWFLSA-N 2 1 336.455 1.993 20 0 EDADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCc1c[nH+]cn1C ZINC000560549666 306274358 /nfs/dbraw/zinc/27/43/58/306274358.db2.gz GNSWGFVZMSUZEP-CYBMUJFWSA-N 2 1 326.400 1.627 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@H](CC(C)C)N1CCOCC1)C(C)C ZINC000102551540 219210720 /nfs/dbraw/zinc/21/07/20/219210720.db2.gz UYMMXTFKQGRMGB-KRWDZBQOSA-N 2 1 342.528 1.763 20 0 EDADMP CC[N@H+](CCNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1)C(C)C ZINC000102551540 219210723 /nfs/dbraw/zinc/21/07/23/219210723.db2.gz UYMMXTFKQGRMGB-KRWDZBQOSA-N 2 1 342.528 1.763 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1)C(C)C ZINC000102551540 219210724 /nfs/dbraw/zinc/21/07/24/219210724.db2.gz UYMMXTFKQGRMGB-KRWDZBQOSA-N 2 1 342.528 1.763 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3noc(C)n3)CC2)CC1 ZINC000561314982 306287005 /nfs/dbraw/zinc/28/70/05/306287005.db2.gz DUAKCSHLFGLBJK-UHFFFAOYSA-N 2 1 349.479 1.533 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000561467771 306287880 /nfs/dbraw/zinc/28/78/80/306287880.db2.gz HGVPFIHRRLMASF-SWKXRBFHSA-N 2 1 336.480 1.751 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000561467771 306287881 /nfs/dbraw/zinc/28/78/81/306287881.db2.gz HGVPFIHRRLMASF-SWKXRBFHSA-N 2 1 336.480 1.751 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000342982579 539769844 /nfs/dbraw/zinc/76/98/44/539769844.db2.gz DMARAMJWMJLGQE-HRCADAONSA-N 2 1 340.512 1.164 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)[N@H+](C)C1 ZINC000346302305 539854349 /nfs/dbraw/zinc/85/43/49/539854349.db2.gz HTDKZWPVPHMQOZ-ROUUACIJSA-N 2 1 331.460 1.983 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)[N@@H+](C)C1 ZINC000346302305 539854366 /nfs/dbraw/zinc/85/43/66/539854366.db2.gz HTDKZWPVPHMQOZ-ROUUACIJSA-N 2 1 331.460 1.983 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353521345 539934311 /nfs/dbraw/zinc/93/43/11/539934311.db2.gz RFOVPBMDFIQMDK-KURKYZTESA-N 2 1 336.524 1.392 20 0 EDADMP C[C@@H](C(=O)N(C)C1CC([NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000563116025 306318899 /nfs/dbraw/zinc/31/88/99/306318899.db2.gz XEQNITXLYQTHJI-KTAKPFMOSA-N 2 1 334.439 1.284 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000563117337 306319069 /nfs/dbraw/zinc/31/90/69/306319069.db2.gz YYNYFVXGQABIGR-OTWHNJEPSA-N 2 1 345.487 1.911 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000563117337 306319070 /nfs/dbraw/zinc/31/90/70/306319070.db2.gz YYNYFVXGQABIGR-OTWHNJEPSA-N 2 1 345.487 1.911 20 0 EDADMP O=C([C@@H]1CSC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000563170600 306321482 /nfs/dbraw/zinc/32/14/82/306321482.db2.gz VKQVXMDTEMBKFZ-INIZCTEOSA-N 2 1 349.504 1.245 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000442766531 291055994 /nfs/dbraw/zinc/05/59/94/291055994.db2.gz WRJFVVDPGBUWAB-JSGCOSHPSA-N 2 1 341.402 1.616 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000442766531 291055996 /nfs/dbraw/zinc/05/59/96/291055996.db2.gz WRJFVVDPGBUWAB-JSGCOSHPSA-N 2 1 341.402 1.616 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](COC)C3)CC2)CC1 ZINC000563383008 306330992 /nfs/dbraw/zinc/33/09/92/306330992.db2.gz ALIJAPUNVPXRDZ-MRXNPFEDSA-N 2 1 337.508 1.678 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000076410758 138248423 /nfs/dbraw/zinc/24/84/23/138248423.db2.gz QYZCKLDICCOBSO-UHFFFAOYSA-N 2 1 344.503 1.277 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000076410758 138248424 /nfs/dbraw/zinc/24/84/24/138248424.db2.gz QYZCKLDICCOBSO-UHFFFAOYSA-N 2 1 344.503 1.277 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000563562377 306339201 /nfs/dbraw/zinc/33/92/01/306339201.db2.gz XHECWIJKGWZNAU-GOSISDBHSA-N 2 1 345.491 1.860 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([NH2+]C3CCCC3)CC2)CC1 ZINC000111300840 138308545 /nfs/dbraw/zinc/30/85/45/138308545.db2.gz VQOKUFPYNIRZSY-MRXNPFEDSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000563591670 306340676 /nfs/dbraw/zinc/34/06/76/306340676.db2.gz YFOAYIIIZUFAGW-LMSBXDPUSA-N 2 1 330.476 1.947 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000563609798 306341753 /nfs/dbraw/zinc/34/17/53/306341753.db2.gz PINLCIIWNFVSDN-WMZOPIPTSA-N 2 1 346.475 1.281 20 0 EDADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000449103331 305306677 /nfs/dbraw/zinc/30/66/77/305306677.db2.gz ASEIFUZYEMJFDZ-GOEBONIOSA-N 2 1 325.497 1.722 20 0 EDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000565298611 306381125 /nfs/dbraw/zinc/38/11/25/306381125.db2.gz KJLJEACYRVVPDW-HOCLYGCPSA-N 2 1 346.475 1.493 20 0 EDADMP COc1ccc(C[C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cn1 ZINC000414132892 304101689 /nfs/dbraw/zinc/10/16/89/304101689.db2.gz ZZIPWGAUCGAPCG-MRXNPFEDSA-N 2 1 334.508 1.884 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NCCC3=CC[NH2+]CC3)CC2)c1 ZINC000565529078 306386096 /nfs/dbraw/zinc/38/60/96/306386096.db2.gz IAIKWKIBDZZSSX-UHFFFAOYSA-N 2 1 329.448 1.531 20 0 EDADMP C[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000053963389 201130394 /nfs/dbraw/zinc/13/03/94/201130394.db2.gz UTWQYFAQHWFKLT-UHFFFAOYSA-N 2 1 330.476 1.998 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000276549328 201296294 /nfs/dbraw/zinc/29/62/94/201296294.db2.gz RYSPCZGPIWZHOF-WMZOPIPTSA-N 2 1 348.470 1.860 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000276549328 201296298 /nfs/dbraw/zinc/29/62/98/201296298.db2.gz RYSPCZGPIWZHOF-WMZOPIPTSA-N 2 1 348.470 1.860 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000285377893 201331603 /nfs/dbraw/zinc/33/16/03/201331603.db2.gz RSMRRRFKRSXLBS-RDJZCZTQSA-N 2 1 339.505 1.378 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000285377893 201331607 /nfs/dbraw/zinc/33/16/07/201331607.db2.gz RSMRRRFKRSXLBS-RDJZCZTQSA-N 2 1 339.505 1.378 20 0 EDADMP C[C@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@H]1C[NH3+] ZINC000156648856 201399758 /nfs/dbraw/zinc/39/97/58/201399758.db2.gz FRAHWZRMCRXRLT-HKUYNNGSSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@H]1[C@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CCC[N@H+]1C ZINC000345788082 291307818 /nfs/dbraw/zinc/30/78/18/291307818.db2.gz QVVBHIXIXMOCMJ-DOTOQJQBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1[C@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CCC[NH+]1C ZINC000345788082 291307821 /nfs/dbraw/zinc/30/78/21/291307821.db2.gz QVVBHIXIXMOCMJ-DOTOQJQBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1[C@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CCC[NH+]1C ZINC000345788082 291307824 /nfs/dbraw/zinc/30/78/24/291307824.db2.gz QVVBHIXIXMOCMJ-DOTOQJQBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000345788082 291307826 /nfs/dbraw/zinc/30/78/26/291307826.db2.gz QVVBHIXIXMOCMJ-DOTOQJQBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000345788082 291307829 /nfs/dbraw/zinc/30/78/29/291307829.db2.gz QVVBHIXIXMOCMJ-DOTOQJQBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@H](C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC000414701197 304129701 /nfs/dbraw/zinc/12/97/01/304129701.db2.gz UFSXSWVLBCMBHC-SJLPKXTDSA-N 3 1 336.524 1.251 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000337485525 284057918 /nfs/dbraw/zinc/05/79/18/284057918.db2.gz YLYGGCFTMVBGTB-DLBZAZTESA-N 2 1 325.497 1.534 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000415067446 304156678 /nfs/dbraw/zinc/15/66/78/304156678.db2.gz PGVFNPRLVSLHCI-UHFFFAOYSA-N 2 1 344.459 1.503 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000111230962 204343075 /nfs/dbraw/zinc/34/30/75/204343075.db2.gz MIFPHIDJPIEZSX-VQTJNVASSA-N 2 1 331.504 1.692 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)[C@H](C)C1 ZINC000415157689 304167315 /nfs/dbraw/zinc/16/73/15/304167315.db2.gz YGQZJIDXROHRNJ-PBHICJAKSA-N 2 1 346.475 1.533 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415159992 304168051 /nfs/dbraw/zinc/16/80/51/304168051.db2.gz KKYXDTMVZBRQQQ-SJORKVTESA-N 2 1 344.459 1.430 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000127351904 205096743 /nfs/dbraw/zinc/09/67/43/205096743.db2.gz VDMGYROSLYKGIB-GDBMZVCRSA-N 2 1 341.377 1.919 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000237631179 139056413 /nfs/dbraw/zinc/05/64/13/139056413.db2.gz CZZRQVUWEXCJGV-DAYGRLMNSA-N 2 1 331.460 1.664 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000237671527 139057537 /nfs/dbraw/zinc/05/75/37/139057537.db2.gz WVIKGPSOMPCWDF-XLIONFOSSA-N 2 1 344.503 1.846 20 0 EDADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000111633491 220174098 /nfs/dbraw/zinc/17/40/98/220174098.db2.gz HFAXZHSLBJCMAM-SJORKVTESA-N 2 1 338.540 1.639 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000111633491 220174100 /nfs/dbraw/zinc/17/41/00/220174100.db2.gz HFAXZHSLBJCMAM-SJORKVTESA-N 2 1 338.540 1.639 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000415224702 304175960 /nfs/dbraw/zinc/17/59/60/304175960.db2.gz BFRITQXXOYQJFS-AWEZNQCLSA-N 2 1 334.464 1.580 20 0 EDADMP [NH3+]C[C@@H]1CCCCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237834005 139061512 /nfs/dbraw/zinc/06/15/12/139061512.db2.gz MXVVVDJIWPNEHI-ROUUACIJSA-N 2 1 331.460 1.617 20 0 EDADMP [NH3+]C[C@@H]1CCCCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237834005 139061513 /nfs/dbraw/zinc/06/15/13/139061513.db2.gz MXVVVDJIWPNEHI-ROUUACIJSA-N 2 1 331.460 1.617 20 0 EDADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415258257 304179942 /nfs/dbraw/zinc/17/99/42/304179942.db2.gz KTJCIJCBTHSBSM-XJKSGUPXSA-N 2 1 332.448 1.588 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415258257 304179944 /nfs/dbraw/zinc/17/99/44/304179944.db2.gz KTJCIJCBTHSBSM-XJKSGUPXSA-N 2 1 332.448 1.588 20 0 EDADMP O=C1CNC(=O)N1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245645616 139082028 /nfs/dbraw/zinc/08/20/28/139082028.db2.gz BMBXQLYSMJPSJS-BJWYYQGGSA-N 2 1 342.443 1.323 20 0 EDADMP C[C@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000245876748 139088282 /nfs/dbraw/zinc/08/82/82/139088282.db2.gz HOMXSTQJRRNEAI-JKSUJKDBSA-N 2 1 348.491 1.872 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCC([NH3+])CC2)ccc1Cl ZINC000415282990 304184740 /nfs/dbraw/zinc/18/47/40/304184740.db2.gz NBDHVSHQFKULTR-UHFFFAOYSA-N 2 1 338.839 1.290 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000246370766 139105804 /nfs/dbraw/zinc/10/58/04/139105804.db2.gz AIXALRKUYSORCE-IPMKNSEASA-N 2 1 345.487 1.876 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000246370766 139105805 /nfs/dbraw/zinc/10/58/05/139105805.db2.gz AIXALRKUYSORCE-IPMKNSEASA-N 2 1 345.487 1.876 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000103303133 206399613 /nfs/dbraw/zinc/39/96/13/206399613.db2.gz YTWNLXNOAOOASZ-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000247495859 139150680 /nfs/dbraw/zinc/15/06/80/139150680.db2.gz MQEYHMCIEFWFHN-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000247495859 139150681 /nfs/dbraw/zinc/15/06/81/139150681.db2.gz MQEYHMCIEFWFHN-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000247495859 139150682 /nfs/dbraw/zinc/15/06/82/139150682.db2.gz MQEYHMCIEFWFHN-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000248666690 139170829 /nfs/dbraw/zinc/17/08/29/139170829.db2.gz WUJNTKJQODMSGQ-YESZJQIVSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000248666690 139170830 /nfs/dbraw/zinc/17/08/30/139170830.db2.gz WUJNTKJQODMSGQ-YESZJQIVSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000248666690 139170831 /nfs/dbraw/zinc/17/08/31/139170831.db2.gz WUJNTKJQODMSGQ-YESZJQIVSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@H](O)C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249281415 139190228 /nfs/dbraw/zinc/19/02/28/139190228.db2.gz GNVOKXWXNIILJO-CGTJXYLNSA-N 2 1 333.476 1.641 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415415638 304218017 /nfs/dbraw/zinc/21/80/17/304218017.db2.gz MCUCKIHKNDHZQS-AWEZNQCLSA-N 2 1 346.475 1.234 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000249753020 139198282 /nfs/dbraw/zinc/19/82/82/139198282.db2.gz BUDJXFMJGKOOTA-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)CN3CCOCC3)C2)CC1 ZINC000250279614 139200782 /nfs/dbraw/zinc/20/07/82/139200782.db2.gz CGKJXPHUZPIQPJ-OALUTQOASA-N 2 1 339.524 1.123 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)CC1 ZINC000250279614 139200783 /nfs/dbraw/zinc/20/07/83/139200783.db2.gz CGKJXPHUZPIQPJ-OALUTQOASA-N 2 1 339.524 1.123 20 0 EDADMP CCc1nc(N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc(C)[nH+]1 ZINC000261634468 139213030 /nfs/dbraw/zinc/21/30/30/139213030.db2.gz HPRRBKJLYDDNGX-LSDHHAIUSA-N 2 1 331.464 1.432 20 0 EDADMP CCc1nc(N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc(C)[nH+]1 ZINC000261634460 139213079 /nfs/dbraw/zinc/21/30/79/139213079.db2.gz HPRRBKJLYDDNGX-GJZGRUSLSA-N 2 1 331.464 1.432 20 0 EDADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261653427 139214597 /nfs/dbraw/zinc/21/45/97/139214597.db2.gz FFYSDWVWTSSXAU-VCBZYWHSSA-N 2 1 347.459 1.344 20 0 EDADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261653427 139214598 /nfs/dbraw/zinc/21/45/98/139214598.db2.gz FFYSDWVWTSSXAU-VCBZYWHSSA-N 2 1 347.459 1.344 20 0 EDADMP [NH3+][C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000261671653 139216004 /nfs/dbraw/zinc/21/60/04/139216004.db2.gz GHDVUIJHHPAALY-GOSISDBHSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@H+]1Cc1ccccc1 ZINC000261673967 139216426 /nfs/dbraw/zinc/21/64/26/139216426.db2.gz GLJXXOZTOBTUGT-SPUZQDLCSA-N 2 1 331.460 1.662 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(Cl)c1OC ZINC000261904073 139235609 /nfs/dbraw/zinc/23/56/09/139235609.db2.gz PGTYPPIRLZNRMC-CQSZACIVSA-N 2 1 339.867 1.837 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(Cl)c1OC ZINC000261904073 139235610 /nfs/dbraw/zinc/23/56/10/139235610.db2.gz PGTYPPIRLZNRMC-CQSZACIVSA-N 2 1 339.867 1.837 20 0 EDADMP C[NH2+]CCC1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000261980764 139241541 /nfs/dbraw/zinc/24/15/41/139241541.db2.gz HXIHRYJBIDMSCR-UHFFFAOYSA-N 2 1 336.461 1.330 20 0 EDADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000261983605 139241654 /nfs/dbraw/zinc/24/16/54/139241654.db2.gz JAUKVLIZXLRNGY-UHFFFAOYSA-N 2 1 333.432 1.718 20 0 EDADMP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261956867 139239988 /nfs/dbraw/zinc/23/99/88/139239988.db2.gz XGGWXXSRMZOFNB-HNNXBMFYSA-N 2 1 336.867 1.566 20 0 EDADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261956867 139239989 /nfs/dbraw/zinc/23/99/89/139239989.db2.gz XGGWXXSRMZOFNB-HNNXBMFYSA-N 2 1 336.867 1.566 20 0 EDADMP COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000262078112 139249164 /nfs/dbraw/zinc/24/91/64/139249164.db2.gz SSYVNLNVTROERD-MRXNPFEDSA-N 2 1 333.432 1.293 20 0 EDADMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262111640 139251856 /nfs/dbraw/zinc/25/18/56/139251856.db2.gz URNCTGHXYAANRF-RBUKOAKNSA-N 2 1 342.487 1.157 20 0 EDADMP CCOC(=O)c1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)o1 ZINC000414966011 250903766 /nfs/dbraw/zinc/90/37/66/250903766.db2.gz DGOWKWHSHNWPIK-ZDUSSCGKSA-N 2 1 349.353 1.382 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)c1c(F)cccc1F ZINC000174717524 207048683 /nfs/dbraw/zinc/04/86/83/207048683.db2.gz VFEZJNXLGARBCD-MRXNPFEDSA-N 2 1 327.419 1.568 20 0 EDADMP [NH3+][C@H](Cc1ccccc1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000262174438 139257371 /nfs/dbraw/zinc/25/73/71/139257371.db2.gz FNVPEMIFOSZHJS-GOSISDBHSA-N 2 1 345.487 1.708 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)CC[C@@H]21 ZINC000262188597 139258431 /nfs/dbraw/zinc/25/84/31/139258431.db2.gz JLLIYDSIEQVIEA-FNHZYXHNSA-N 2 1 340.471 1.980 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)Nc2ccc(OCC[NH3+])cc2)[N@@H+](C)C1 ZINC000415949978 251038788 /nfs/dbraw/zinc/03/87/88/251038788.db2.gz WXTUZIUONPEJTK-HOCLYGCPSA-N 2 1 336.436 1.207 20 0 EDADMP O=C(CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1)N1CC[NH2+]CC1 ZINC000262229345 139261976 /nfs/dbraw/zinc/26/19/76/139261976.db2.gz VEMQRHBRRBPQPP-QZTJIDSGSA-N 2 1 331.460 1.396 20 0 EDADMP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000416308405 251062046 /nfs/dbraw/zinc/06/20/46/251062046.db2.gz MDYGNWAUIZUKKD-BRWVUGGUSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000416308405 251062047 /nfs/dbraw/zinc/06/20/47/251062047.db2.gz MDYGNWAUIZUKKD-BRWVUGGUSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000416308405 251062050 /nfs/dbraw/zinc/06/20/50/251062050.db2.gz MDYGNWAUIZUKKD-BRWVUGGUSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000416308405 251062052 /nfs/dbraw/zinc/06/20/52/251062052.db2.gz MDYGNWAUIZUKKD-BRWVUGGUSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1SCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000262246272 139263237 /nfs/dbraw/zinc/26/32/37/139263237.db2.gz WNSOJUVYBWBBMJ-YJBOKZPZSA-N 2 1 333.501 1.987 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1cccc(F)c1 ZINC000416829729 251111775 /nfs/dbraw/zinc/11/17/75/251111775.db2.gz GBSSXVCCILWYOK-DOTOQJQBSA-N 2 1 340.418 1.771 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N(C)[C@H](C)C[NH3+])cc2)CC1 ZINC000416999786 251125069 /nfs/dbraw/zinc/12/50/69/251125069.db2.gz YEFXBTGMJCNFHY-MRXNPFEDSA-N 2 1 347.507 1.313 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417253901 251150295 /nfs/dbraw/zinc/15/02/95/251150295.db2.gz CODVEHJJRLKGNE-GASCZTMLSA-N 2 1 348.516 1.747 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417253901 251150299 /nfs/dbraw/zinc/15/02/99/251150299.db2.gz CODVEHJJRLKGNE-GASCZTMLSA-N 2 1 348.516 1.747 20 0 EDADMP [NH3+]C[C@H]1CCCCN1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417025635 251138102 /nfs/dbraw/zinc/13/81/02/251138102.db2.gz NCANELDWGSVDAE-GOSISDBHSA-N 2 1 330.476 1.958 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262360475 139273057 /nfs/dbraw/zinc/27/30/57/139273057.db2.gz VCWAZLYJDJLXJS-VDERGJSUSA-N 2 1 337.489 1.624 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262360475 139273058 /nfs/dbraw/zinc/27/30/58/139273058.db2.gz VCWAZLYJDJLXJS-VDERGJSUSA-N 2 1 337.489 1.624 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000417518873 251182623 /nfs/dbraw/zinc/18/26/23/251182623.db2.gz TYIXNKOPPSUBOC-SFHVURJKSA-N 2 1 348.491 1.829 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417557839 251187469 /nfs/dbraw/zinc/18/74/69/251187469.db2.gz CWYSHAGJWNCROA-HNNXBMFYSA-N 2 1 329.448 1.998 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417438654 251174015 /nfs/dbraw/zinc/17/40/15/251174015.db2.gz KBWLQTGWUCBTEJ-SFHVURJKSA-N 2 1 344.459 1.717 20 0 EDADMP C[C@H](CNC(=O)N1CCNC[C@](C)(F)C1)[N@@H+](C)Cc1ccccc1 ZINC000417576313 251193823 /nfs/dbraw/zinc/19/38/23/251193823.db2.gz HERRNGWEQUJAJT-QAPCUYQASA-N 2 1 336.455 1.850 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C[C@](C)(F)C1)[N@@H+](C)Cc1ccccc1 ZINC000417576313 251193832 /nfs/dbraw/zinc/19/38/32/251193832.db2.gz HERRNGWEQUJAJT-QAPCUYQASA-N 2 1 336.455 1.850 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000175821285 207162663 /nfs/dbraw/zinc/16/26/63/207162663.db2.gz UBELNFNOGQTVQS-MRXNPFEDSA-N 2 1 342.528 1.764 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000175821285 207162665 /nfs/dbraw/zinc/16/26/65/207162665.db2.gz UBELNFNOGQTVQS-MRXNPFEDSA-N 2 1 342.528 1.764 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000175821285 207162670 /nfs/dbraw/zinc/16/26/70/207162670.db2.gz UBELNFNOGQTVQS-MRXNPFEDSA-N 2 1 342.528 1.764 20 0 EDADMP [NH3+]CC1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCOCC1 ZINC000262410401 139277098 /nfs/dbraw/zinc/27/70/98/139277098.db2.gz ZDZJAQLSPFMFCO-GOSISDBHSA-N 2 1 345.487 1.423 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)[nH+]1 ZINC000417707561 251236029 /nfs/dbraw/zinc/23/60/29/251236029.db2.gz XLSBJOPFIHOUPF-GOEBONIOSA-N 2 1 331.464 1.799 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417750184 251254780 /nfs/dbraw/zinc/25/47/80/251254780.db2.gz KFDQCQMXJVGQBU-IKGGRYGDSA-N 2 1 339.528 1.077 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC[C@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000418079759 251320406 /nfs/dbraw/zinc/32/04/06/251320406.db2.gz RFJRJCYIULPVLF-CYBMUJFWSA-N 2 1 338.418 1.950 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000418115402 251329373 /nfs/dbraw/zinc/32/93/73/251329373.db2.gz OFOQONDFKLNOIA-OAGGEKHMSA-N 2 1 326.485 1.175 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000417851423 251297531 /nfs/dbraw/zinc/29/75/31/251297531.db2.gz YPKAPOHGYBPZGL-GDAAHCPNSA-N 2 1 342.487 1.900 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C[NH3+])CC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000418424179 251367163 /nfs/dbraw/zinc/36/71/63/251367163.db2.gz GOAJUJPODRZAJM-OAGGEKHMSA-N 2 1 326.485 1.112 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418434097 251369904 /nfs/dbraw/zinc/36/99/04/251369904.db2.gz VEQMNLVFBMETBF-CRAIPNDOSA-N 2 1 346.475 1.581 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418434234 251370574 /nfs/dbraw/zinc/37/05/74/251370574.db2.gz FCBJYNLGPSZPAA-OWCLPIDISA-N 2 1 340.512 1.787 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418434234 251370576 /nfs/dbraw/zinc/37/05/76/251370576.db2.gz FCBJYNLGPSZPAA-OWCLPIDISA-N 2 1 340.512 1.787 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC000418199094 251354408 /nfs/dbraw/zinc/35/44/08/251354408.db2.gz MUFCUFXSJZFUBO-SFHVURJKSA-N 2 1 331.464 1.871 20 0 EDADMP [NH3+]C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)C1CCCCC1 ZINC000418384466 251364044 /nfs/dbraw/zinc/36/40/44/251364044.db2.gz ONCILGNOFFXLNN-CVEARBPZSA-N 2 1 326.485 1.040 20 0 EDADMP COCC1(CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC[NH2+]CC1 ZINC000418638176 251381745 /nfs/dbraw/zinc/38/17/45/251381745.db2.gz LHUYLEASQDXMCZ-HNNXBMFYSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418688292 251386646 /nfs/dbraw/zinc/38/66/46/251386646.db2.gz MYBWHLOHOYYUAI-NXHRZFHOSA-N 2 1 348.491 1.296 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)C1 ZINC000262646394 139292798 /nfs/dbraw/zinc/29/27/98/139292798.db2.gz ODBKQNKTWMYSBT-JKSUJKDBSA-N 2 1 344.459 1.322 20 0 EDADMP C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1CCC[NH2+]1 ZINC000422892921 252013130 /nfs/dbraw/zinc/01/31/30/252013130.db2.gz ZTYOZMSJNVQEAG-ATZDWAIDSA-N 2 1 344.503 1.614 20 0 EDADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422901722 252016749 /nfs/dbraw/zinc/01/67/49/252016749.db2.gz LUGLORYKLONNDA-JKSUJKDBSA-N 2 1 325.478 1.685 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@@H]1CC[NH2+]C1 ZINC000422901701 252016859 /nfs/dbraw/zinc/01/68/59/252016859.db2.gz LQFBZVQXQWHAHK-BMGDILEWSA-N 2 1 331.460 1.683 20 0 EDADMP COc1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1Cl ZINC000423155307 252039008 /nfs/dbraw/zinc/03/90/08/252039008.db2.gz IVTWENBMTDAUDJ-BPLDGKMQSA-N 2 1 325.840 1.990 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCCO1 ZINC000424023975 252118200 /nfs/dbraw/zinc/11/82/00/252118200.db2.gz QJTBSOHOGAKTDJ-FUHWJXTLSA-N 2 1 349.450 1.614 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000424047798 252124955 /nfs/dbraw/zinc/12/49/55/252124955.db2.gz XDWJNDXGIRZOFQ-ZWKOTPCHSA-N 2 1 331.460 1.731 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424144841 252143026 /nfs/dbraw/zinc/14/30/26/252143026.db2.gz MFQDOTHZWKZTMV-CVEARBPZSA-N 2 1 346.479 1.197 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000424149231 252145606 /nfs/dbraw/zinc/14/56/06/252145606.db2.gz VYTRIKJNIOINKB-KFWWJZLASA-N 2 1 333.480 1.442 20 0 EDADMP C[N@@H+](CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C1CCCCC1 ZINC000424135234 252138772 /nfs/dbraw/zinc/13/87/72/252138772.db2.gz OMIVOOMWOFOMEK-HNNXBMFYSA-N 2 1 334.468 1.197 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000424468813 252241247 /nfs/dbraw/zinc/24/12/47/252241247.db2.gz PSJMHMNYROSBBY-DOTOQJQBSA-N 2 1 344.459 1.335 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000424444003 252233399 /nfs/dbraw/zinc/23/33/99/252233399.db2.gz YRUAQRNFGULCRP-HZPDHXFCSA-N 2 1 330.432 1.135 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000182476826 285009875 /nfs/dbraw/zinc/00/98/75/285009875.db2.gz UVCXAZYZZAIOPR-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000349938967 285058633 /nfs/dbraw/zinc/05/86/33/285058633.db2.gz VSZPYYNYRURAHU-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP [NH3+]CCCn1ccc2cc(C(=O)N3CC[NH2+]C[C@H]3C(F)F)ccc21 ZINC000569928791 306525439 /nfs/dbraw/zinc/52/54/39/306525439.db2.gz GILYVSALYHDQGW-HNNXBMFYSA-N 2 1 336.386 1.669 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000112466077 220332681 /nfs/dbraw/zinc/33/26/81/220332681.db2.gz TXKGIOQNULRVGG-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000459806226 255004208 /nfs/dbraw/zinc/00/42/08/255004208.db2.gz MJMHGDLPJNVSOU-AWEZNQCLSA-N 2 1 341.496 1.497 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000488627283 255046814 /nfs/dbraw/zinc/04/68/14/255046814.db2.gz JAARPRPOORDJIU-QGZVFWFLSA-N 2 1 346.475 1.485 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000488627283 255046816 /nfs/dbraw/zinc/04/68/16/255046816.db2.gz JAARPRPOORDJIU-QGZVFWFLSA-N 2 1 346.475 1.485 20 0 EDADMP C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000490224933 255081839 /nfs/dbraw/zinc/08/18/39/255081839.db2.gz SRWPXCZSIWBHKO-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC(C)(C)O1 ZINC000345716984 285280638 /nfs/dbraw/zinc/28/06/38/285280638.db2.gz GTSHMYGBHAQQBI-JKSUJKDBSA-N 2 1 325.497 1.819 20 0 EDADMP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1[NH+](C)C ZINC000271431195 140295169 /nfs/dbraw/zinc/29/51/69/140295169.db2.gz AAFZPMYPFYKQRV-PKOBYXMFSA-N 2 1 344.503 1.213 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000332545882 141200666 /nfs/dbraw/zinc/20/06/66/141200666.db2.gz MTGZEILYLALGHZ-JKSUJKDBSA-N 2 1 331.464 1.704 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000332545882 141200668 /nfs/dbraw/zinc/20/06/68/141200668.db2.gz MTGZEILYLALGHZ-JKSUJKDBSA-N 2 1 331.464 1.704 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccn1C ZINC000416386512 304313794 /nfs/dbraw/zinc/31/37/94/304313794.db2.gz RTVFCNOOOOPYKF-HNNXBMFYSA-N 2 1 342.509 1.062 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000333455121 141319623 /nfs/dbraw/zinc/31/96/23/141319623.db2.gz YCZWSAWQPISMFM-BZUAXINKSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333661592 141352114 /nfs/dbraw/zinc/35/21/14/141352114.db2.gz LPRFVTSUGVLJMV-AQEOSJORSA-N 2 1 349.523 1.081 20 0 EDADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333661592 141352115 /nfs/dbraw/zinc/35/21/15/141352115.db2.gz LPRFVTSUGVLJMV-AQEOSJORSA-N 2 1 349.523 1.081 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333661592 141352116 /nfs/dbraw/zinc/35/21/16/141352116.db2.gz LPRFVTSUGVLJMV-AQEOSJORSA-N 2 1 349.523 1.081 20 0 EDADMP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000333712249 141363310 /nfs/dbraw/zinc/36/33/10/141363310.db2.gz SMSRFYVRPJQAHF-DOTOQJQBSA-N 2 1 343.537 1.703 20 0 EDADMP Cc1nocc1C[NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000339321357 142014526 /nfs/dbraw/zinc/01/45/26/142014526.db2.gz NJWPOANTHUQZOF-QGZVFWFLSA-N 2 1 330.432 1.362 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340252310 142320247 /nfs/dbraw/zinc/32/02/47/142320247.db2.gz LOBRXDSNMFLOIY-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1CCCCCC1 ZINC000340311040 142338145 /nfs/dbraw/zinc/33/81/45/142338145.db2.gz ZNMDPXPZMVUKBK-MRXNPFEDSA-N 2 1 325.497 1.556 20 0 EDADMP Cc1ccc(C)c([C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)[C@H](C)CO2)c1 ZINC000262056264 292088263 /nfs/dbraw/zinc/08/82/63/292088263.db2.gz ITHBLZSUQINWTN-MJGOQNOKSA-N 2 1 345.487 1.887 20 0 EDADMP C[C@@H](C(=O)N1CCC([NH+](C)CCCO)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000345010411 143038849 /nfs/dbraw/zinc/03/88/49/143038849.db2.gz NZGNKSJOOISXMX-XHSDSOJGSA-N 2 1 325.497 1.553 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000345010411 143038850 /nfs/dbraw/zinc/03/88/50/143038850.db2.gz NZGNKSJOOISXMX-XHSDSOJGSA-N 2 1 325.497 1.553 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000345010411 143038851 /nfs/dbraw/zinc/03/88/51/143038851.db2.gz NZGNKSJOOISXMX-XHSDSOJGSA-N 2 1 325.497 1.553 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000345232240 143067520 /nfs/dbraw/zinc/06/75/20/143067520.db2.gz UAPLCTICTVUPOL-OKZBNKHCSA-N 3 1 338.540 1.734 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)[N@H+](C)C1 ZINC000345858628 143140383 /nfs/dbraw/zinc/14/03/83/143140383.db2.gz BJFULGXWXIAAQZ-KFWWJZLASA-N 2 1 338.452 1.243 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)[N@@H+](C)C1 ZINC000345858628 143140384 /nfs/dbraw/zinc/14/03/84/143140384.db2.gz BJFULGXWXIAAQZ-KFWWJZLASA-N 2 1 338.452 1.243 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000346038416 143160351 /nfs/dbraw/zinc/16/03/51/143160351.db2.gz KDXWFCIYFGXXOP-SFHVURJKSA-N 2 1 330.476 1.062 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)C1 ZINC000346325511 143192234 /nfs/dbraw/zinc/19/22/34/143192234.db2.gz NZYSSKYQUUGXJL-SFHVURJKSA-N 2 1 335.492 1.576 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000346444530 143205462 /nfs/dbraw/zinc/20/54/62/143205462.db2.gz CGAVONIAELYZED-ZHALLVOQSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000346444530 143205463 /nfs/dbraw/zinc/20/54/63/143205463.db2.gz CGAVONIAELYZED-ZHALLVOQSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000346444530 143205464 /nfs/dbraw/zinc/20/54/64/143205464.db2.gz CGAVONIAELYZED-ZHALLVOQSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000346444530 143205465 /nfs/dbraw/zinc/20/54/65/143205465.db2.gz CGAVONIAELYZED-ZHALLVOQSA-N 2 1 345.487 1.280 20 0 EDADMP COc1c(C)cc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1C ZINC000347016752 143271847 /nfs/dbraw/zinc/27/18/47/143271847.db2.gz KCHGESOEMNNWAT-SFHVURJKSA-N 2 1 345.487 1.956 20 0 EDADMP Cn1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(-c2cccs2)n1 ZINC000347034796 143274569 /nfs/dbraw/zinc/27/45/69/143274569.db2.gz CPLZIURSDKKMIG-ZDUSSCGKSA-N 2 1 347.488 1.436 20 0 EDADMP C[N@@H+](CC(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1)[C@H]1CCSC1 ZINC000347515270 143331127 /nfs/dbraw/zinc/33/11/27/143331127.db2.gz NIEXVKAXLSFOFY-HOTGVXAUSA-N 2 1 341.521 1.137 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000347551608 143334180 /nfs/dbraw/zinc/33/41/80/143334180.db2.gz RAJXWKPRYWUARI-NRSPTQNISA-N 2 1 345.531 1.938 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000369763161 155166573 /nfs/dbraw/zinc/16/65/73/155166573.db2.gz MBRGMQUZMFKZJI-MRXNPFEDSA-N 2 1 333.480 1.393 20 0 EDADMP C[N@@H+](CCC(=O)N1CCOCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000369810781 155185902 /nfs/dbraw/zinc/18/59/02/155185902.db2.gz YKOFHHJQYPCNIL-LJQANCHMSA-N 2 1 345.487 1.689 20 0 EDADMP C[NH+](CCC(=O)N1CCOCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000369810781 155185909 /nfs/dbraw/zinc/18/59/09/155185909.db2.gz YKOFHHJQYPCNIL-LJQANCHMSA-N 2 1 345.487 1.689 20 0 EDADMP C[NH+](CCC(=O)N1CCOCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000369810781 155185913 /nfs/dbraw/zinc/18/59/13/155185913.db2.gz YKOFHHJQYPCNIL-LJQANCHMSA-N 2 1 345.487 1.689 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)[NH+](C)C ZINC000416858793 304352462 /nfs/dbraw/zinc/35/24/62/304352462.db2.gz ZFTPCBLRUAUTMH-HNNXBMFYSA-N 2 1 334.464 1.691 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000369881778 155216425 /nfs/dbraw/zinc/21/64/25/155216425.db2.gz FDJWLJSGRIEPOH-AWEZNQCLSA-N 2 1 336.480 1.723 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000369881778 155216426 /nfs/dbraw/zinc/21/64/26/155216426.db2.gz FDJWLJSGRIEPOH-AWEZNQCLSA-N 2 1 336.480 1.723 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000369881778 155216429 /nfs/dbraw/zinc/21/64/29/155216429.db2.gz FDJWLJSGRIEPOH-AWEZNQCLSA-N 2 1 336.480 1.723 20 0 EDADMP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000369893187 155220890 /nfs/dbraw/zinc/22/08/90/155220890.db2.gz OUCDUBRPJZFVCH-JYJNAYRXSA-N 2 1 333.480 1.960 20 0 EDADMP COCCC(=O)N1CCC([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352758682 149152477 /nfs/dbraw/zinc/15/24/77/149152477.db2.gz HOXPYHQVMBYACM-UHFFFAOYSA-N 2 1 340.493 1.322 20 0 EDADMP C[N@@H+](C[C@H](O)COc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353176510 149314342 /nfs/dbraw/zinc/31/43/42/149314342.db2.gz ZHDPDNZYMUBFNY-QXULXFAOSA-N 2 1 348.443 1.712 20 0 EDADMP C[NH+](C[C@H](O)COc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353176510 149314344 /nfs/dbraw/zinc/31/43/44/149314344.db2.gz ZHDPDNZYMUBFNY-QXULXFAOSA-N 2 1 348.443 1.712 20 0 EDADMP C[NH+](C[C@H](O)COc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353176510 149314345 /nfs/dbraw/zinc/31/43/45/149314345.db2.gz ZHDPDNZYMUBFNY-QXULXFAOSA-N 2 1 348.443 1.712 20 0 EDADMP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3sccc3C[NH+](C)C)[C@H]2C1 ZINC000355351073 150229218 /nfs/dbraw/zinc/22/92/18/150229218.db2.gz TWAHUMYJLBGDQJ-GJZGRUSLSA-N 2 1 337.489 1.745 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3sccc3C[NH+](C)C)[C@H]2C1 ZINC000355351073 150229220 /nfs/dbraw/zinc/22/92/20/150229220.db2.gz TWAHUMYJLBGDQJ-GJZGRUSLSA-N 2 1 337.489 1.745 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000355581760 150323289 /nfs/dbraw/zinc/32/32/89/150323289.db2.gz ZWCMVNBUVVQOCS-IEBWSBKVSA-N 2 1 342.487 1.328 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000355581760 150323291 /nfs/dbraw/zinc/32/32/91/150323291.db2.gz ZWCMVNBUVVQOCS-IEBWSBKVSA-N 2 1 342.487 1.328 20 0 EDADMP CNC(=O)c1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc1 ZINC000355647538 150349675 /nfs/dbraw/zinc/34/96/75/150349675.db2.gz HMVUYGJHLFLYDK-UHFFFAOYSA-N 2 1 340.427 1.772 20 0 EDADMP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000417034206 304363766 /nfs/dbraw/zinc/36/37/66/304363766.db2.gz DUSSYIPDWGGHTI-WMLDXEAASA-N 2 1 349.454 1.079 20 0 EDADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000417044349 304365493 /nfs/dbraw/zinc/36/54/93/304365493.db2.gz XWBBXCPNAJZYMN-CRAIPNDOSA-N 2 1 330.476 1.814 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000417047373 304366534 /nfs/dbraw/zinc/36/65/34/304366534.db2.gz QJDFXFTYOHMXDY-CVEARBPZSA-N 2 1 326.485 1.176 20 0 EDADMP C[C@@H](CNC(=O)NC(C)(C)C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000417048314 304366521 /nfs/dbraw/zinc/36/65/21/304366521.db2.gz WLTXJWKSFBVOSE-HNNXBMFYSA-N 2 1 333.480 1.234 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000357690371 151116366 /nfs/dbraw/zinc/11/63/66/151116366.db2.gz ONYVFOLLHNTBOA-QGZVFWFLSA-N 2 1 337.508 1.870 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000357690371 151116369 /nfs/dbraw/zinc/11/63/69/151116369.db2.gz ONYVFOLLHNTBOA-QGZVFWFLSA-N 2 1 337.508 1.870 20 0 EDADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+](C)C ZINC000357871358 151178983 /nfs/dbraw/zinc/17/89/83/151178983.db2.gz OFGBHVDRQPSXJD-WDSOQIARSA-N 2 1 344.503 1.492 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000358095130 151268067 /nfs/dbraw/zinc/26/80/67/151268067.db2.gz LYCJUMUSNXARIF-INIZCTEOSA-N 2 1 340.512 1.637 20 0 EDADMP CN(c1ccccc1CNC[C@]1(O)CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000358174059 151295162 /nfs/dbraw/zinc/29/51/62/151295162.db2.gz XHBKMFLKVSCDHK-HXUWFJFHSA-N 2 1 346.519 1.373 20 0 EDADMP CN(c1ccccc1C[NH2+]C[C@]1(O)CCN(C)C1)C1CC[NH+](C)CC1 ZINC000358174059 151295165 /nfs/dbraw/zinc/29/51/65/151295165.db2.gz XHBKMFLKVSCDHK-HXUWFJFHSA-N 2 1 346.519 1.373 20 0 EDADMP CN(c1ccccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000358174059 151295166 /nfs/dbraw/zinc/29/51/66/151295166.db2.gz XHBKMFLKVSCDHK-HXUWFJFHSA-N 3 1 346.519 1.373 20 0 EDADMP CN(c1ccccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000358174059 151295168 /nfs/dbraw/zinc/29/51/68/151295168.db2.gz XHBKMFLKVSCDHK-HXUWFJFHSA-N 3 1 346.519 1.373 20 0 EDADMP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358495963 151395446 /nfs/dbraw/zinc/39/54/46/151395446.db2.gz IJYBRQBKDUXAGX-HNNXBMFYSA-N 2 1 331.460 1.775 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000417090961 304371578 /nfs/dbraw/zinc/37/15/78/304371578.db2.gz ZPNCJXSLNZJPMA-PKOBYXMFSA-N 2 1 348.466 1.994 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000417090961 304371579 /nfs/dbraw/zinc/37/15/79/304371579.db2.gz ZPNCJXSLNZJPMA-PKOBYXMFSA-N 2 1 348.466 1.994 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000359904290 151856655 /nfs/dbraw/zinc/85/66/55/151856655.db2.gz CMSPAKYMTCRTOO-ULQDDVLXSA-N 2 1 340.512 1.469 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000359904290 151856657 /nfs/dbraw/zinc/85/66/57/151856657.db2.gz CMSPAKYMTCRTOO-ULQDDVLXSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H]1C[N@H+](CCCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CCCO1 ZINC000370105279 155325817 /nfs/dbraw/zinc/32/58/17/155325817.db2.gz MQRLETTWMGWNAV-HKUYNNGSSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CCCO1 ZINC000370105279 155325820 /nfs/dbraw/zinc/32/58/20/155325820.db2.gz MQRLETTWMGWNAV-HKUYNNGSSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CCCO1 ZINC000370105279 155325822 /nfs/dbraw/zinc/32/58/22/155325822.db2.gz MQRLETTWMGWNAV-HKUYNNGSSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CCCO1 ZINC000370105279 155325825 /nfs/dbraw/zinc/32/58/25/155325825.db2.gz MQRLETTWMGWNAV-HKUYNNGSSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NCC[N@H+](C)C2CCCCC2)CCSC1 ZINC000360403725 152023601 /nfs/dbraw/zinc/02/36/01/152023601.db2.gz VSINNKIDISJRMG-QGZVFWFLSA-N 2 1 342.553 1.987 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000360670903 152146791 /nfs/dbraw/zinc/14/67/91/152146791.db2.gz ZXZHAHBXXMFEDZ-DOTOQJQBSA-N 2 1 342.553 1.843 20 0 EDADMP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000360955852 152263135 /nfs/dbraw/zinc/26/31/35/152263135.db2.gz DQZUZJVCNYMVKX-RRFJBIMHSA-N 2 1 326.485 1.711 20 0 EDADMP C[C@H](C[NH3+])NC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417164237 304379818 /nfs/dbraw/zinc/37/98/18/304379818.db2.gz VOIKJDWMRUYHET-QGZVFWFLSA-N 2 1 347.507 1.231 20 0 EDADMP CC(C)NC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363608329 153011821 /nfs/dbraw/zinc/01/18/21/153011821.db2.gz ZJTGQXYLRBNURN-IYBDPMFKSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000363865907 153080388 /nfs/dbraw/zinc/08/03/88/153080388.db2.gz VQCMYEHBGYRSMO-RDJZCZTQSA-N 2 1 335.492 1.620 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000363872923 153081607 /nfs/dbraw/zinc/08/16/07/153081607.db2.gz AMKTZPMZCSCECL-UHFFFAOYSA-N 2 1 349.523 1.771 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000363872923 153081609 /nfs/dbraw/zinc/08/16/09/153081609.db2.gz AMKTZPMZCSCECL-UHFFFAOYSA-N 2 1 349.523 1.771 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)cc1F ZINC000364143631 153155119 /nfs/dbraw/zinc/15/51/19/153155119.db2.gz HTFOXLJYVGWQDJ-NXEZZACHSA-N 2 1 333.367 1.554 20 0 EDADMP CCN1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000364715940 153312067 /nfs/dbraw/zinc/31/20/67/153312067.db2.gz UGSLVSZSHKUYHZ-KSZLIROESA-N 2 1 346.475 1.254 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000364715940 153312070 /nfs/dbraw/zinc/31/20/70/153312070.db2.gz UGSLVSZSHKUYHZ-KSZLIROESA-N 2 1 346.475 1.254 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000364715940 153312074 /nfs/dbraw/zinc/31/20/74/153312074.db2.gz UGSLVSZSHKUYHZ-KSZLIROESA-N 2 1 346.475 1.254 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000364715940 153312076 /nfs/dbraw/zinc/31/20/76/153312076.db2.gz UGSLVSZSHKUYHZ-KSZLIROESA-N 2 1 346.475 1.254 20 0 EDADMP CO[C@@H](C)CNC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364869469 153356804 /nfs/dbraw/zinc/35/68/04/153356804.db2.gz STRWWZUWIDQOOP-HNNXBMFYSA-N 2 1 340.512 1.517 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000417231545 304386217 /nfs/dbraw/zinc/38/62/17/304386217.db2.gz NSLMIAWVSXEFLU-LJQANCHMSA-N 2 1 330.476 1.904 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)CC[N@@H+]1C ZINC000367768340 154261497 /nfs/dbraw/zinc/26/14/97/154261497.db2.gz JBZXWQAZLZYECP-BMFZPTHFSA-N 2 1 333.480 1.984 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)CC[N@H+]1C ZINC000367768340 154261500 /nfs/dbraw/zinc/26/15/00/154261500.db2.gz JBZXWQAZLZYECP-BMFZPTHFSA-N 2 1 333.480 1.984 20 0 EDADMP COC(=O)C1=C(C)O[C@H](C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000367949271 154338697 /nfs/dbraw/zinc/33/86/97/154338697.db2.gz CFNYNHBKBHLAPW-YALNPMBYSA-N 2 1 338.448 1.406 20 0 EDADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000367948368 154339055 /nfs/dbraw/zinc/33/90/55/154339055.db2.gz SFHZWKUGABMQEZ-GDBMZVCRSA-N 2 1 331.464 1.845 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000367948368 154339059 /nfs/dbraw/zinc/33/90/59/154339059.db2.gz SFHZWKUGABMQEZ-GDBMZVCRSA-N 2 1 331.464 1.845 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000417343778 304393025 /nfs/dbraw/zinc/39/30/25/304393025.db2.gz QTSUBJHNYMOVDI-SUMDDJOVSA-N 2 1 342.487 1.684 20 0 EDADMP CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCn2ccnc2C1 ZINC000369499613 155060632 /nfs/dbraw/zinc/06/06/32/155060632.db2.gz HIRFAXWJOIUIEK-SJORKVTESA-N 2 1 326.444 1.735 20 0 EDADMP O=C(NCCCC[NH+]1CCCC1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369657890 155122649 /nfs/dbraw/zinc/12/26/49/155122649.db2.gz BULUFEYILKCJRQ-BZSNNMDCSA-N 2 1 334.508 1.988 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccn1)C1=CC[N@@H+](C)CC1 ZINC000371582387 156014117 /nfs/dbraw/zinc/01/41/17/156014117.db2.gz VAJXLJMVEWRUFB-YJBOKZPZSA-N 2 1 328.460 1.813 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)C1=CC[NH+](C)CC1 ZINC000371582387 156014121 /nfs/dbraw/zinc/01/41/21/156014121.db2.gz VAJXLJMVEWRUFB-YJBOKZPZSA-N 2 1 328.460 1.813 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1)C1=CC[N@H+](C)CC1 ZINC000371582387 156014128 /nfs/dbraw/zinc/01/41/28/156014128.db2.gz VAJXLJMVEWRUFB-YJBOKZPZSA-N 2 1 328.460 1.813 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1)C1=CC[N@@H+](C)CC1 ZINC000371582387 156014132 /nfs/dbraw/zinc/01/41/32/156014132.db2.gz VAJXLJMVEWRUFB-YJBOKZPZSA-N 2 1 328.460 1.813 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(C)ncc2C)CC1=O ZINC000372164943 156250604 /nfs/dbraw/zinc/25/06/04/156250604.db2.gz NZNQHVQFIYEZCI-JKSUJKDBSA-N 2 1 344.459 1.392 20 0 EDADMP Cc1nc(CN2CCC[C@H]([N@@H+](C)CCCn3ccnc3C)C2)no1 ZINC000372254721 156289214 /nfs/dbraw/zinc/28/92/14/156289214.db2.gz HVSWFVBQPDMRRU-INIZCTEOSA-N 2 1 332.452 1.869 20 0 EDADMP Cc1nc(CN2CCC[C@H]([N@H+](C)CCCn3cc[nH+]c3C)C2)no1 ZINC000372254721 156289219 /nfs/dbraw/zinc/28/92/19/156289219.db2.gz HVSWFVBQPDMRRU-INIZCTEOSA-N 2 1 332.452 1.869 20 0 EDADMP Cc1nc(CN2CCC[C@H]([N@@H+](C)CCCn3cc[nH+]c3C)C2)no1 ZINC000372254721 156289224 /nfs/dbraw/zinc/28/92/24/156289224.db2.gz HVSWFVBQPDMRRU-INIZCTEOSA-N 2 1 332.452 1.869 20 0 EDADMP C[N@H+](CCNC(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1)C1CCCC1 ZINC000372343052 156344036 /nfs/dbraw/zinc/34/40/36/156344036.db2.gz ASKDOAXAXKRLOR-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1)C1CCCC1 ZINC000372343052 156344040 /nfs/dbraw/zinc/34/40/40/156344040.db2.gz ASKDOAXAXKRLOR-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)C1CCCC1 ZINC000372343052 156344044 /nfs/dbraw/zinc/34/40/44/156344044.db2.gz ASKDOAXAXKRLOR-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)C1CCCC1 ZINC000372343052 156344050 /nfs/dbraw/zinc/34/40/50/156344050.db2.gz ASKDOAXAXKRLOR-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP CN(CCC[NH+]1CCCC1)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000373957375 157082521 /nfs/dbraw/zinc/08/25/21/157082521.db2.gz ICBCIAJNZUFNSD-UHFFFAOYSA-N 2 1 347.507 1.669 20 0 EDADMP CN(CCC[NH+]1CCCC1)C(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000373957375 157082524 /nfs/dbraw/zinc/08/25/24/157082524.db2.gz ICBCIAJNZUFNSD-UHFFFAOYSA-N 2 1 347.507 1.669 20 0 EDADMP CCCCNC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000373982310 157093739 /nfs/dbraw/zinc/09/37/39/157093739.db2.gz WHUUUPULHINYJH-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000374368635 157262649 /nfs/dbraw/zinc/26/26/49/157262649.db2.gz XIYIMBZDUCFHSY-AEFFLSMTSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000374368635 157262650 /nfs/dbraw/zinc/26/26/50/157262650.db2.gz XIYIMBZDUCFHSY-AEFFLSMTSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000374455247 157297013 /nfs/dbraw/zinc/29/70/13/157297013.db2.gz TWKVGYGHGVKAKO-AWEZNQCLSA-N 2 1 330.432 1.012 20 0 EDADMP COc1ccc([C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH2+]CCO3)CCC[N@H+]2C)cc1 ZINC000374459192 157297928 /nfs/dbraw/zinc/29/79/28/157297928.db2.gz BZAOKWGAYYNJBB-BPQIPLTHSA-N 2 1 347.459 1.183 20 0 EDADMP Cc1nnc([C@@H]2CC23CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC3)o1 ZINC000374776275 157397520 /nfs/dbraw/zinc/39/75/20/157397520.db2.gz JDTIZCWQIRQTGO-HNNXBMFYSA-N 2 1 347.463 1.112 20 0 EDADMP C[N@@H+](Cc1c[nH]c2nccnc12)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378126912 158086620 /nfs/dbraw/zinc/08/66/20/158086620.db2.gz DATBFBIDVKQLCO-INIZCTEOSA-N 2 1 328.464 1.510 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000352220673 162057474 /nfs/dbraw/zinc/05/74/74/162057474.db2.gz DCBZMIPBDOBRCT-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000352526161 162230387 /nfs/dbraw/zinc/23/03/87/162230387.db2.gz KYUCCTMTBTUHCP-SFHVURJKSA-N 2 1 325.460 1.865 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)CC1 ZINC000361335071 162302506 /nfs/dbraw/zinc/30/25/06/162302506.db2.gz JUIRYASNQAXARX-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000361335071 162302509 /nfs/dbraw/zinc/30/25/09/162302509.db2.gz JUIRYASNQAXARX-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000361335071 162302513 /nfs/dbraw/zinc/30/25/13/162302513.db2.gz JUIRYASNQAXARX-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP O=C(NCCCNc1ccccn1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365182687 162353213 /nfs/dbraw/zinc/35/32/13/162353213.db2.gz HQOCJPVIIQEYGL-CABCVRRESA-N 2 1 333.436 1.046 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000376872165 287091478 /nfs/dbraw/zinc/09/14/78/287091478.db2.gz IYUJKUFAZGEDRB-NXHRZFHOSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000376872165 287091479 /nfs/dbraw/zinc/09/14/79/287091479.db2.gz IYUJKUFAZGEDRB-NXHRZFHOSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)CN1CC[NH+](C)CC1 ZINC000073664432 287262862 /nfs/dbraw/zinc/26/28/62/287262862.db2.gz LLDJCAVHOGERTL-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352495117 287301728 /nfs/dbraw/zinc/30/17/28/287301728.db2.gz IPMNPSVKGBTPJQ-IKGGRYGDSA-N 2 1 325.497 1.901 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352495117 287301731 /nfs/dbraw/zinc/30/17/31/287301731.db2.gz IPMNPSVKGBTPJQ-IKGGRYGDSA-N 2 1 325.497 1.901 20 0 EDADMP CCc1nnc(C)cc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000273592135 268060796 /nfs/dbraw/zinc/06/07/96/268060796.db2.gz MWZLVDRDRSRPNL-MRXNPFEDSA-N 2 1 347.507 1.836 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273033664 273025169 /nfs/dbraw/zinc/02/51/69/273025169.db2.gz FADMLEQVZKSJEB-SJLPKXTDSA-N 2 1 331.460 1.345 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000274705170 268188690 /nfs/dbraw/zinc/18/86/90/268188690.db2.gz YZTBIEYEIXWVMI-CYBMUJFWSA-N 2 1 326.400 1.856 20 0 EDADMP Cn1ncc(Cl)c1CNCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000275665995 273117477 /nfs/dbraw/zinc/11/74/77/273117477.db2.gz YGKCNQYLVCWCDC-UHFFFAOYSA-N 2 1 348.882 1.770 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000174159823 272935239 /nfs/dbraw/zinc/93/52/39/272935239.db2.gz FABNUNOFJINQQX-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277511540 273202843 /nfs/dbraw/zinc/20/28/43/273202843.db2.gz QDJVFBQGJXGUHF-RNIPGJKVSA-N 2 1 345.487 1.780 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000283894839 274001329 /nfs/dbraw/zinc/00/13/29/274001329.db2.gz KEWJNHBAQVPHFV-INIZCTEOSA-N 2 1 343.431 1.007 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000284391435 274185329 /nfs/dbraw/zinc/18/53/29/274185329.db2.gz BIYVMSGSCNUXRP-IEBWSBKVSA-N 2 1 345.487 1.593 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000284391435 274185332 /nfs/dbraw/zinc/18/53/32/274185332.db2.gz BIYVMSGSCNUXRP-IEBWSBKVSA-N 2 1 345.487 1.593 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)Cc1ccccc1 ZINC000284536142 274237117 /nfs/dbraw/zinc/23/71/17/274237117.db2.gz DRWPNHDAFFXLJN-NJAFHUGGSA-N 2 1 333.476 1.433 20 0 EDADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000347756897 276253566 /nfs/dbraw/zinc/25/35/66/276253566.db2.gz GHSAPOABQDOABS-HZPDHXFCSA-N 2 1 340.512 1.166 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000369367377 276753939 /nfs/dbraw/zinc/75/39/39/276753939.db2.gz YZENONVBDQRMKI-HNNXBMFYSA-N 2 1 342.443 1.702 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC(O)(C[NH3+])CC1)c1cccc(Cl)c1 ZINC000424054147 276774670 /nfs/dbraw/zinc/77/46/70/276774670.db2.gz GLDXSDQSBOOZEO-CQSZACIVSA-N 2 1 325.840 1.255 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCn3cnc4ccccc4c3=O)CC[C@@H]21 ZINC000139870341 277083745 /nfs/dbraw/zinc/08/37/45/277083745.db2.gz LTTWBCPNLZNMGE-YJBOKZPZSA-N 2 1 326.444 1.813 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCn3cnc4ccccc4c3=O)CC[C@@H]21 ZINC000139870341 277083746 /nfs/dbraw/zinc/08/37/46/277083746.db2.gz LTTWBCPNLZNMGE-YJBOKZPZSA-N 2 1 326.444 1.813 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCn3cnc4ccccc4c3=O)CC[C@@H]21 ZINC000139870341 277083747 /nfs/dbraw/zinc/08/37/47/277083747.db2.gz LTTWBCPNLZNMGE-YJBOKZPZSA-N 2 1 326.444 1.813 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCn3cnc4ccccc4c3=O)CC[C@@H]21 ZINC000139870341 277083748 /nfs/dbraw/zinc/08/37/48/277083748.db2.gz LTTWBCPNLZNMGE-YJBOKZPZSA-N 2 1 326.444 1.813 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000359997379 277174304 /nfs/dbraw/zinc/17/43/04/277174304.db2.gz JHACSDSWZCFRQI-QGTPRVQTSA-N 2 1 328.460 1.909 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000359997379 277174305 /nfs/dbraw/zinc/17/43/05/277174305.db2.gz JHACSDSWZCFRQI-QGTPRVQTSA-N 2 1 328.460 1.909 20 0 EDADMP C[NH+]1CC[C@H]2CCN(C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)[C@H]2C1 ZINC000359997379 277174306 /nfs/dbraw/zinc/17/43/06/277174306.db2.gz JHACSDSWZCFRQI-QGTPRVQTSA-N 2 1 328.460 1.909 20 0 EDADMP C[NH+]1CC[C@H]2CCN(C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)[C@H]2C1 ZINC000359997379 277174307 /nfs/dbraw/zinc/17/43/07/277174307.db2.gz JHACSDSWZCFRQI-QGTPRVQTSA-N 2 1 328.460 1.909 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000341868310 277223180 /nfs/dbraw/zinc/22/31/80/277223180.db2.gz GWLPPIDLAXMXKL-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423058367 277232914 /nfs/dbraw/zinc/23/29/14/277232914.db2.gz BYCINJFQNFJOGZ-INDMIFKZSA-N 2 1 334.460 1.890 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377634468 278015223 /nfs/dbraw/zinc/01/52/23/278015223.db2.gz XNWLPSMDZCTVMH-AEFFLSMTSA-N 2 1 344.507 1.287 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000376684393 278099177 /nfs/dbraw/zinc/09/91/77/278099177.db2.gz BANRQEIONBKYMI-UKRRQHHQSA-N 2 1 334.468 1.254 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430592661 278208664 /nfs/dbraw/zinc/20/86/64/278208664.db2.gz QXWPGIQPMYDQMF-KBPBESRZSA-N 2 1 335.448 1.248 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430592661 278208667 /nfs/dbraw/zinc/20/86/67/278208667.db2.gz QXWPGIQPMYDQMF-KBPBESRZSA-N 2 1 335.448 1.248 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000433465156 279034417 /nfs/dbraw/zinc/03/44/17/279034417.db2.gz ZLAWHLCFAKIABD-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000433465156 279034419 /nfs/dbraw/zinc/03/44/19/279034419.db2.gz ZLAWHLCFAKIABD-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000433465156 279034420 /nfs/dbraw/zinc/03/44/20/279034420.db2.gz ZLAWHLCFAKIABD-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000331228198 279185851 /nfs/dbraw/zinc/18/58/51/279185851.db2.gz BUFQBZBYAXELPF-HNNXBMFYSA-N 2 1 343.475 1.853 20 0 EDADMP CC[NH+]1CCC(N(C(=O)[C@@H](C)[NH+]2CCSCC2)C2CC2)CC1 ZINC000366647392 279257664 /nfs/dbraw/zinc/25/76/64/279257664.db2.gz YTHDHGOGKLJHKO-CQSZACIVSA-N 2 1 325.522 1.899 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000175364017 279309585 /nfs/dbraw/zinc/30/95/85/279309585.db2.gz PHJVKYWXFWUXOW-IAGOWNOFSA-N 2 1 338.496 1.225 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000378152995 279311333 /nfs/dbraw/zinc/31/13/33/279311333.db2.gz QYFDRMLWHQIOAR-ZACQAIPSSA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000378152995 279311336 /nfs/dbraw/zinc/31/13/36/279311336.db2.gz QYFDRMLWHQIOAR-ZACQAIPSSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H](CNC(=O)NCC[N@H+]1CCCOCC1)[NH+](C)Cc1ccccc1 ZINC000187164769 279335026 /nfs/dbraw/zinc/33/50/26/279335026.db2.gz YMGXIHRPRXMZMR-QGZVFWFLSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCCOCC1)[N@H+](C)Cc1ccccc1 ZINC000187164769 279335028 /nfs/dbraw/zinc/33/50/28/279335028.db2.gz YMGXIHRPRXMZMR-QGZVFWFLSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000187164769 279335030 /nfs/dbraw/zinc/33/50/30/279335030.db2.gz YMGXIHRPRXMZMR-QGZVFWFLSA-N 2 1 348.491 1.528 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000287157574 288168917 /nfs/dbraw/zinc/16/89/17/288168917.db2.gz MESWZOAYSKMKOP-HOTGVXAUSA-N 2 1 349.479 1.077 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC[N@H+]([C@H](C)CO)CC1)[NH+]1CCCCC1 ZINC000347152556 280145299 /nfs/dbraw/zinc/14/52/99/280145299.db2.gz YWBLAAXOKCRLSF-IAGOWNOFSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000287459611 288242839 /nfs/dbraw/zinc/24/28/39/288242839.db2.gz GZQYTAJNGWIJNL-HOTGVXAUSA-N 2 1 348.491 1.345 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000287629785 288279174 /nfs/dbraw/zinc/27/91/74/288279174.db2.gz YTXWVEHUDJNZDU-IRXDYDNUSA-N 2 1 347.507 1.446 20 0 EDADMP C[NH+](C)CC1(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CCC1 ZINC000369164443 282076038 /nfs/dbraw/zinc/07/60/38/282076038.db2.gz MAHFDLAEBITSQW-HZPDHXFCSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000288042748 288388924 /nfs/dbraw/zinc/38/89/24/288388924.db2.gz MLYLTLGOWRSQHX-NXHRZFHOSA-N 2 1 330.476 1.995 20 0 EDADMP CN(C)C(=O)c1cnc(NCC[N@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000664247302 452927976 /nfs/dbraw/zinc/92/79/76/452927976.db2.gz JIYHDKLJFOEBNE-UHFFFAOYSA-N 2 1 341.887 1.732 20 0 EDADMP CN(C)C(=O)c1cnc(NCC[N@@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000664247302 452927986 /nfs/dbraw/zinc/92/79/86/452927986.db2.gz JIYHDKLJFOEBNE-UHFFFAOYSA-N 2 1 341.887 1.732 20 0 EDADMP C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000292022905 289241432 /nfs/dbraw/zinc/24/14/32/289241432.db2.gz FRDOUBOQNNSCIF-ZWKOTPCHSA-N 2 1 344.503 1.846 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000292630599 289399857 /nfs/dbraw/zinc/39/98/57/289399857.db2.gz YSBMFRYXDIWOHM-HZPDHXFCSA-N 2 1 330.432 1.752 20 0 EDADMP C[NH+]1CCN(C(=O)CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000120972106 290011884 /nfs/dbraw/zinc/01/18/84/290011884.db2.gz IHWZORUKQLNINU-GOSISDBHSA-N 2 1 336.524 1.348 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000345765213 290083729 /nfs/dbraw/zinc/08/37/29/290083729.db2.gz YYZXYJTVFSYYJG-ZMSDIMECSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121075863 290390917 /nfs/dbraw/zinc/39/09/17/290390917.db2.gz DBSBDAZRQITIJY-ZWKOTPCHSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121075863 290390920 /nfs/dbraw/zinc/39/09/20/290390920.db2.gz DBSBDAZRQITIJY-ZWKOTPCHSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000333793780 297014685 /nfs/dbraw/zinc/01/46/85/297014685.db2.gz GPOCIENJJJEKMK-VQHPVUNQSA-N 2 1 338.496 1.269 20 0 EDADMP Cn1cc(CN2C[C@H](F)C[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000354851091 294238916 /nfs/dbraw/zinc/23/89/16/294238916.db2.gz IKUQQVJYQDGUMI-ZJPYXAASSA-N 2 1 335.471 1.549 20 0 EDADMP CO[C@H](C)C[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000354465163 294268412 /nfs/dbraw/zinc/26/84/12/294268412.db2.gz UVWSFHHVRBZBPK-IAGOWNOFSA-N 2 1 343.512 1.205 20 0 EDADMP CO[C@H](C)C[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000354465163 294268415 /nfs/dbraw/zinc/26/84/15/294268415.db2.gz UVWSFHHVRBZBPK-IAGOWNOFSA-N 2 1 343.512 1.205 20 0 EDADMP CO[C@H](C)C[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000354465163 294268417 /nfs/dbraw/zinc/26/84/17/294268417.db2.gz UVWSFHHVRBZBPK-IAGOWNOFSA-N 2 1 343.512 1.205 20 0 EDADMP C[C@H](C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000183497027 298131110 /nfs/dbraw/zinc/13/11/10/298131110.db2.gz RISHSVNDRYYSPT-QGZVFWFLSA-N 2 1 346.519 1.649 20 0 EDADMP C[C@H](C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000183497027 298131111 /nfs/dbraw/zinc/13/11/11/298131111.db2.gz RISHSVNDRYYSPT-QGZVFWFLSA-N 2 1 346.519 1.649 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261627603 298164105 /nfs/dbraw/zinc/16/41/05/298164105.db2.gz DOOPYEVQEILQGL-DDBAPUKQSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261627603 298164109 /nfs/dbraw/zinc/16/41/09/298164109.db2.gz DOOPYEVQEILQGL-DDBAPUKQSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329526 298187523 /nfs/dbraw/zinc/18/75/23/298187523.db2.gz ONDFPSRYJBCDAE-VQHPVUNQSA-N 2 1 337.508 1.757 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329526 298187525 /nfs/dbraw/zinc/18/75/25/298187525.db2.gz ONDFPSRYJBCDAE-VQHPVUNQSA-N 2 1 337.508 1.757 20 0 EDADMP [NH3+][C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1Br ZINC000662409136 453120694 /nfs/dbraw/zinc/12/06/94/453120694.db2.gz DWKRBBKNYXWSHH-QMTHXVAHSA-N 2 1 338.249 1.802 20 0 EDADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000370470568 300233606 /nfs/dbraw/zinc/23/36/06/300233606.db2.gz HOFGSGGWFHTERZ-DOTOQJQBSA-N 2 1 334.508 1.146 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000370470568 300233608 /nfs/dbraw/zinc/23/36/08/300233608.db2.gz HOFGSGGWFHTERZ-DOTOQJQBSA-N 2 1 334.508 1.146 20 0 EDADMP COCCOc1cccc(CNC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000420373541 304753086 /nfs/dbraw/zinc/75/30/86/304753086.db2.gz ZLRMYSILIQAASW-QGZVFWFLSA-N 2 1 349.475 1.306 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000448475906 447323331 /nfs/dbraw/zinc/32/33/31/447323331.db2.gz WZOVCMAYFUAXMC-MRXNPFEDSA-N 2 1 333.480 1.583 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cn2cc[nH+]c12 ZINC000294588358 303127938 /nfs/dbraw/zinc/12/79/38/303127938.db2.gz CSCBIGJBIBLWNL-ZFWWWQNUSA-N 2 1 341.415 1.276 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cn2cc[nH+]c12 ZINC000294588358 303127939 /nfs/dbraw/zinc/12/79/39/303127939.db2.gz CSCBIGJBIBLWNL-ZFWWWQNUSA-N 2 1 341.415 1.276 20 0 EDADMP O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Cn2ccnc2)cc1 ZINC000295362005 303208922 /nfs/dbraw/zinc/20/89/22/303208922.db2.gz FVQYCABLQAPRGU-SFHVURJKSA-N 2 1 342.443 1.508 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000295632336 303244924 /nfs/dbraw/zinc/24/49/24/303244924.db2.gz HRSNGMKPXVSTMH-GOEBONIOSA-N 2 1 349.475 1.782 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000295632336 303244925 /nfs/dbraw/zinc/24/49/25/303244925.db2.gz HRSNGMKPXVSTMH-GOEBONIOSA-N 2 1 349.475 1.782 20 0 EDADMP C[C@@H]1[C@@H](O)CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000296412268 303314881 /nfs/dbraw/zinc/31/48/81/303314881.db2.gz VGBLFQKDGQHZHU-APWZRJJASA-N 2 1 345.487 1.744 20 0 EDADMP O=C(CCn1c[nH+]c2c1CCCC2)N1CCN(c2ccccn2)CC1 ZINC000296824007 303339899 /nfs/dbraw/zinc/33/98/99/303339899.db2.gz RWSOKHKHXYIWLY-UHFFFAOYSA-N 2 1 339.443 1.896 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456214074 447331345 /nfs/dbraw/zinc/33/13/45/447331345.db2.gz ROTGZMYVDRLWNA-CALCHBBNSA-N 2 1 327.513 1.802 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414879022 447340667 /nfs/dbraw/zinc/34/06/67/447340667.db2.gz OJBUNMMGEZNGFJ-INIZCTEOSA-N 2 1 330.432 1.219 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](CC)[NH+]2CCCC2)CC[NH2+]CC1 ZINC000422962862 304881300 /nfs/dbraw/zinc/88/13/00/304881300.db2.gz GVKBYRTVIYERAV-HZPDHXFCSA-N 3 1 325.497 1.772 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000424039343 304925907 /nfs/dbraw/zinc/92/59/07/304925907.db2.gz NPMUYIUXSVDBEB-ZWKOTPCHSA-N 2 1 344.503 1.614 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000429684284 305034981 /nfs/dbraw/zinc/03/49/81/305034981.db2.gz MHLFMQCAJRNQRS-HUUCEWRRSA-N 2 1 337.430 1.790 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000430543851 305055991 /nfs/dbraw/zinc/05/59/91/305055991.db2.gz NHBXDWNBVPAOCK-YESZJQIVSA-N 2 1 333.476 1.938 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000430543851 305055992 /nfs/dbraw/zinc/05/59/92/305055992.db2.gz NHBXDWNBVPAOCK-YESZJQIVSA-N 2 1 333.476 1.938 20 0 EDADMP COc1cccc([C@H](C)[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430621520 305059511 /nfs/dbraw/zinc/05/95/11/305059511.db2.gz DLQVHGOANWQFND-DOTOQJQBSA-N 2 1 331.460 1.900 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)COC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000430734358 305063645 /nfs/dbraw/zinc/06/36/45/305063645.db2.gz MKPHHELEURIRNL-NVXWUHKLSA-N 2 1 331.460 1.486 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000430880199 305066829 /nfs/dbraw/zinc/06/68/29/305066829.db2.gz SEPNZNOZWFORBU-CVEARBPZSA-N 2 1 344.459 1.465 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000430889529 305067111 /nfs/dbraw/zinc/06/71/11/305067111.db2.gz NVBCUGALKWLPTD-IRXDYDNUSA-N 2 1 349.475 1.387 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000430931522 305068885 /nfs/dbraw/zinc/06/88/85/305068885.db2.gz WNIQEZJPBQVPNX-PKOBYXMFSA-N 2 1 344.503 1.308 20 0 EDADMP C[C@H]1C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@H]1[NH3+] ZINC000430942633 305069680 /nfs/dbraw/zinc/06/96/80/305069680.db2.gz MOAINXRKOHCPOO-MAUKXSAKSA-N 2 1 348.466 1.534 20 0 EDADMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000430945441 305070015 /nfs/dbraw/zinc/07/00/15/305070015.db2.gz XJSFOPZANHDTHR-CYBMUJFWSA-N 2 1 335.448 1.962 20 0 EDADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000430962219 305071230 /nfs/dbraw/zinc/07/12/30/305071230.db2.gz GOPGKNAWGIZTLO-QGZVFWFLSA-N 2 1 331.460 1.475 20 0 EDADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000430962219 305071231 /nfs/dbraw/zinc/07/12/31/305071231.db2.gz GOPGKNAWGIZTLO-QGZVFWFLSA-N 2 1 331.460 1.475 20 0 EDADMP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000431044851 305073737 /nfs/dbraw/zinc/07/37/37/305073737.db2.gz KWNMMZNCRDSVTR-GOSISDBHSA-N 2 1 344.459 1.895 20 0 EDADMP COCC[C@]1(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000431059689 305073966 /nfs/dbraw/zinc/07/39/66/305073966.db2.gz CXDMQGLDCRSHFR-ILZDJORESA-N 2 1 345.487 1.954 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000434185653 305118557 /nfs/dbraw/zinc/11/85/57/305118557.db2.gz ZLFJNNWSYNTVJT-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000434185653 305118558 /nfs/dbraw/zinc/11/85/58/305118558.db2.gz ZLFJNNWSYNTVJT-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000434486199 305123304 /nfs/dbraw/zinc/12/33/04/305123304.db2.gz XRCMMDNLBLBGJA-QGZVFWFLSA-N 2 1 346.537 1.492 20 0 EDADMP COc1cc(C[N@H+](C)C2CC[NH2+]CC2)cc(Cl)c1OCC(N)=O ZINC000435368676 305139109 /nfs/dbraw/zinc/13/91/09/305139109.db2.gz BKHQOOQXYHFOOZ-UHFFFAOYSA-N 2 1 341.839 1.397 20 0 EDADMP COc1cc(C[N@@H+](C)C2CC[NH2+]CC2)cc(Cl)c1OCC(N)=O ZINC000435368676 305139110 /nfs/dbraw/zinc/13/91/10/305139110.db2.gz BKHQOOQXYHFOOZ-UHFFFAOYSA-N 2 1 341.839 1.397 20 0 EDADMP CCN(C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436057725 305151712 /nfs/dbraw/zinc/15/17/12/305151712.db2.gz WTFBKDFVDQGZRQ-KRWDZBQOSA-N 2 1 346.475 1.359 20 0 EDADMP CCN(C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436057725 305151713 /nfs/dbraw/zinc/15/17/13/305151713.db2.gz WTFBKDFVDQGZRQ-KRWDZBQOSA-N 2 1 346.475 1.359 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC1CCCCC1 ZINC000436059396 305151765 /nfs/dbraw/zinc/15/17/65/305151765.db2.gz NQZPWRSVJONGDT-INIZCTEOSA-N 2 1 338.496 1.002 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC1CCCCC1 ZINC000436059396 305151766 /nfs/dbraw/zinc/15/17/66/305151766.db2.gz NQZPWRSVJONGDT-INIZCTEOSA-N 2 1 338.496 1.002 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCC(=O)N2CCC[C@H]2C)CC1 ZINC000438721492 305188661 /nfs/dbraw/zinc/18/86/61/305188661.db2.gz JKFSIBAWDBYHEW-HZPDHXFCSA-N 2 1 325.497 1.412 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000440171398 305204271 /nfs/dbraw/zinc/20/42/71/305204271.db2.gz PAUXKIZPJNNINC-KRWDZBQOSA-N 2 1 342.528 1.717 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)CC1 ZINC000441023508 305216797 /nfs/dbraw/zinc/21/67/97/305216797.db2.gz BNTMZLRJXNSKKN-HNAYVOBHSA-N 2 1 345.487 1.911 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)CC1 ZINC000441023508 305216798 /nfs/dbraw/zinc/21/67/98/305216798.db2.gz BNTMZLRJXNSKKN-HNAYVOBHSA-N 2 1 345.487 1.911 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000442890422 305230397 /nfs/dbraw/zinc/23/03/97/305230397.db2.gz ABIHKYZHKDPWTN-UHFFFAOYSA-N 2 1 332.492 1.504 20 0 EDADMP C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)[N@H+]1CCCC[C@H]1C ZINC000446273760 305262406 /nfs/dbraw/zinc/26/24/06/305262406.db2.gz CKVCVCNDJWXGQG-RUEZSYAVSA-N 2 1 337.508 1.898 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[C@@H](C)O1 ZINC000449082990 305305978 /nfs/dbraw/zinc/30/59/78/305305978.db2.gz ROXNDZWZKXTYIZ-RKVPGOIHSA-N 2 1 331.460 1.730 20 0 EDADMP [NH3+]C1CCC(OCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000449162502 305308427 /nfs/dbraw/zinc/30/84/27/305308427.db2.gz JGXWMZVJWFWNLR-VSVYTNTFSA-N 2 1 335.492 1.748 20 0 EDADMP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000449694966 305317199 /nfs/dbraw/zinc/31/71/99/305317199.db2.gz HUTOVKRKBJTLML-QZTJIDSGSA-N 2 1 348.466 1.200 20 0 EDADMP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000449694966 305317200 /nfs/dbraw/zinc/31/72/00/305317200.db2.gz HUTOVKRKBJTLML-QZTJIDSGSA-N 2 1 348.466 1.200 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)C(C)C)C2)CC1 ZINC000451523862 305351014 /nfs/dbraw/zinc/35/10/14/305351014.db2.gz AWGOXXFHQDCTIA-ZWKOTPCHSA-N 2 1 325.497 1.270 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)C(C)C)C2)CC1 ZINC000451523862 305351015 /nfs/dbraw/zinc/35/10/15/305351015.db2.gz AWGOXXFHQDCTIA-ZWKOTPCHSA-N 2 1 325.497 1.270 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H](O)C(C)C)C2)CC1 ZINC000451523862 305351016 /nfs/dbraw/zinc/35/10/16/305351016.db2.gz AWGOXXFHQDCTIA-ZWKOTPCHSA-N 2 1 325.497 1.270 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H](O)C(C)C)C2)CC1 ZINC000451523862 305351017 /nfs/dbraw/zinc/35/10/17/305351017.db2.gz AWGOXXFHQDCTIA-ZWKOTPCHSA-N 2 1 325.497 1.270 20 0 EDADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](CCOCC3CC3)C2)CC1 ZINC000451535297 305351798 /nfs/dbraw/zinc/35/17/98/305351798.db2.gz OHSGGFRGEKFAGZ-IBGZPJMESA-N 2 1 337.508 1.679 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(CCOCC3CC3)C2)CC1 ZINC000451535297 305351799 /nfs/dbraw/zinc/35/17/99/305351799.db2.gz OHSGGFRGEKFAGZ-IBGZPJMESA-N 2 1 337.508 1.679 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(CCOCC3CC3)C2)CC1 ZINC000451535297 305351800 /nfs/dbraw/zinc/35/18/00/305351800.db2.gz OHSGGFRGEKFAGZ-IBGZPJMESA-N 2 1 337.508 1.679 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCOCC3CC3)C2)CC1 ZINC000451535297 305351801 /nfs/dbraw/zinc/35/18/01/305351801.db2.gz OHSGGFRGEKFAGZ-IBGZPJMESA-N 2 1 337.508 1.679 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCOCC3CC3)C2)CC1 ZINC000451535297 305351802 /nfs/dbraw/zinc/35/18/02/305351802.db2.gz OHSGGFRGEKFAGZ-IBGZPJMESA-N 2 1 337.508 1.679 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCOCC3CC3)C2)CC1 ZINC000451535297 305351803 /nfs/dbraw/zinc/35/18/03/305351803.db2.gz OHSGGFRGEKFAGZ-IBGZPJMESA-N 2 1 337.508 1.679 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCOCC3CC3)C2)CC1 ZINC000451535297 305351804 /nfs/dbraw/zinc/35/18/04/305351804.db2.gz OHSGGFRGEKFAGZ-IBGZPJMESA-N 2 1 337.508 1.679 20 0 EDADMP CC[C@H](C(=O)OC)N1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451539987 305352118 /nfs/dbraw/zinc/35/21/18/305352118.db2.gz WBTHILDRLGHOLC-IAGOWNOFSA-N 2 1 339.480 1.204 20 0 EDADMP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CCCC[NH+]1CCO)c1ccccc1 ZINC000452389055 305396995 /nfs/dbraw/zinc/39/69/95/305396995.db2.gz LAWLTPAYARCVQE-ZWKOTPCHSA-N 2 1 333.476 1.642 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CCCC[NH+]1CCO)c1ccccc1 ZINC000452389055 305396996 /nfs/dbraw/zinc/39/69/96/305396996.db2.gz LAWLTPAYARCVQE-ZWKOTPCHSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1 ZINC000452389055 305396997 /nfs/dbraw/zinc/39/69/97/305396997.db2.gz LAWLTPAYARCVQE-ZWKOTPCHSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1ccccc1 ZINC000452389055 305396998 /nfs/dbraw/zinc/39/69/98/305396998.db2.gz LAWLTPAYARCVQE-ZWKOTPCHSA-N 2 1 333.476 1.642 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000458410726 447351559 /nfs/dbraw/zinc/35/15/59/447351559.db2.gz FSTDCKOOKRZCAL-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000458410726 447351564 /nfs/dbraw/zinc/35/15/64/447351564.db2.gz FSTDCKOOKRZCAL-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000458410726 447351571 /nfs/dbraw/zinc/35/15/71/447351571.db2.gz FSTDCKOOKRZCAL-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)/C=C\c2ncc[nH]2)CCCN1C ZINC000493612124 447354376 /nfs/dbraw/zinc/35/43/76/447354376.db2.gz ITGMQUOEWWKKOY-MZVVEVKISA-N 2 1 328.420 1.356 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCCC1(F)F ZINC000665029165 453547663 /nfs/dbraw/zinc/54/76/63/453547663.db2.gz HOWSKOGPUHYNIR-UONOGXRCSA-N 2 1 334.455 1.993 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCCC1(F)F ZINC000665029165 453547669 /nfs/dbraw/zinc/54/76/69/453547669.db2.gz HOWSKOGPUHYNIR-UONOGXRCSA-N 2 1 334.455 1.993 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC23CCOCC3)CC1 ZINC000531146314 305954048 /nfs/dbraw/zinc/95/40/48/305954048.db2.gz CWSVQWOIKSYBQL-CQSZACIVSA-N 2 1 330.432 1.589 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NCCNc2cc[nH+]cc2)[C@@H]1c1ccccc1 ZINC000535434168 306013629 /nfs/dbraw/zinc/01/36/29/306013629.db2.gz CJSRTISICZRKQH-ROUUACIJSA-N 2 1 339.443 1.660 20 0 EDADMP C[C@H](O)[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H]([C@H](C)O)C3)COC2)C1 ZINC000542041660 306050665 /nfs/dbraw/zinc/05/06/65/306050665.db2.gz MWXNDKZMYGUTMT-XLAORIBOSA-N 2 1 340.508 1.189 20 0 EDADMP C[C@H](O)[C@@H]1CCC[N@@H+](CC2(C[NH+]3CCC[C@H]([C@H](C)O)C3)COC2)C1 ZINC000542041660 306050666 /nfs/dbraw/zinc/05/06/66/306050666.db2.gz MWXNDKZMYGUTMT-XLAORIBOSA-N 2 1 340.508 1.189 20 0 EDADMP C[C@H](O)[C@@H]1CCC[N@H+](CC2(C[NH+]3CCC[C@H]([C@H](C)O)C3)COC2)C1 ZINC000542041660 306050667 /nfs/dbraw/zinc/05/06/67/306050667.db2.gz MWXNDKZMYGUTMT-XLAORIBOSA-N 2 1 340.508 1.189 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C1CC(O)C1 ZINC000546093867 306090646 /nfs/dbraw/zinc/09/06/46/306090646.db2.gz HUXOCWSVEQVBAK-WSDZMALLSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C1CC(O)C1 ZINC000546093867 306090647 /nfs/dbraw/zinc/09/06/47/306090647.db2.gz HUXOCWSVEQVBAK-WSDZMALLSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC(O)C1 ZINC000546093867 306090648 /nfs/dbraw/zinc/09/06/48/306090648.db2.gz HUXOCWSVEQVBAK-WSDZMALLSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC(O)C1 ZINC000546093867 306090649 /nfs/dbraw/zinc/09/06/49/306090649.db2.gz HUXOCWSVEQVBAK-WSDZMALLSA-N 2 1 331.460 1.221 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000548102188 306119896 /nfs/dbraw/zinc/11/98/96/306119896.db2.gz YBEXBGDBCMHWBP-IRXDYDNUSA-N 2 1 338.496 1.100 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)[C@H]2CCC[C@H]21 ZINC000556886476 306220967 /nfs/dbraw/zinc/22/09/67/306220967.db2.gz VIGDMDMMOWOGPN-IXDOHACOSA-N 2 1 341.521 1.405 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000557338911 306227648 /nfs/dbraw/zinc/22/76/48/306227648.db2.gz HRRGLPKEXGRKFZ-OHFALNGGSA-N 2 1 348.495 1.457 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000557338911 306227649 /nfs/dbraw/zinc/22/76/49/306227649.db2.gz HRRGLPKEXGRKFZ-OHFALNGGSA-N 2 1 348.495 1.457 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000414946096 447369127 /nfs/dbraw/zinc/36/91/27/447369127.db2.gz SNCWTHFCKKSSFS-IUODEOHRSA-N 2 1 330.432 1.086 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)[C@@H](C)C1 ZINC000426036824 447382868 /nfs/dbraw/zinc/38/28/68/447382868.db2.gz PRWZCEFYMBLDBU-HOCLYGCPSA-N 2 1 345.553 1.899 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000419771747 447403106 /nfs/dbraw/zinc/40/31/06/447403106.db2.gz GYGNIMAZUPDZBC-CABCVRRESA-N 2 1 340.512 1.055 20 0 EDADMP CC[C@]1(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000378219782 447408982 /nfs/dbraw/zinc/40/89/82/447408982.db2.gz JDOGACXKWJMAAV-IBGZPJMESA-N 2 1 331.460 1.525 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422247112 447421673 /nfs/dbraw/zinc/42/16/73/447421673.db2.gz VLPXRJHZSNTFCR-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnc1 ZINC000080565291 441180522 /nfs/dbraw/zinc/18/05/22/441180522.db2.gz JHICXRCYJDEUIJ-KRWDZBQOSA-N 2 1 333.480 1.639 20 0 EDADMP C[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCN(C)CC1 ZINC000101653224 441160352 /nfs/dbraw/zinc/16/03/52/441160352.db2.gz XWROEWNHLJXZHS-IXDOHACOSA-N 2 1 338.540 1.495 20 0 EDADMP C[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000101653224 441160354 /nfs/dbraw/zinc/16/03/54/441160354.db2.gz XWROEWNHLJXZHS-IXDOHACOSA-N 2 1 338.540 1.495 20 0 EDADMP C[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000101653224 441160358 /nfs/dbraw/zinc/16/03/58/441160358.db2.gz XWROEWNHLJXZHS-IXDOHACOSA-N 2 1 338.540 1.495 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+]1CCN(C)CC1 ZINC000105105806 441234471 /nfs/dbraw/zinc/23/44/71/441234471.db2.gz IQGWZKKOYCFCJP-RDJZCZTQSA-N 2 1 339.528 1.040 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000105105806 441234473 /nfs/dbraw/zinc/23/44/73/441234473.db2.gz IQGWZKKOYCFCJP-RDJZCZTQSA-N 2 1 339.528 1.040 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000105105806 441234476 /nfs/dbraw/zinc/23/44/76/441234476.db2.gz IQGWZKKOYCFCJP-RDJZCZTQSA-N 2 1 339.528 1.040 20 0 EDADMP C[C@H](CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[N@@H+](C)C1CC1 ZINC000081338858 441255500 /nfs/dbraw/zinc/25/55/00/441255500.db2.gz IJAVANLPJYVAOJ-MRXNPFEDSA-N 2 1 344.503 1.647 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000081346672 441256434 /nfs/dbraw/zinc/25/64/34/441256434.db2.gz BMLCCBAUHIVUOP-MSOLQXFVSA-N 2 1 337.508 1.822 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000081346672 441256437 /nfs/dbraw/zinc/25/64/37/441256437.db2.gz BMLCCBAUHIVUOP-MSOLQXFVSA-N 2 1 337.508 1.822 20 0 EDADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000106388464 441335978 /nfs/dbraw/zinc/33/59/78/441335978.db2.gz QAIFIOBOJLDVFM-SFHVURJKSA-N 2 1 349.475 1.801 20 0 EDADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000106388464 441335982 /nfs/dbraw/zinc/33/59/82/441335982.db2.gz QAIFIOBOJLDVFM-SFHVURJKSA-N 2 1 349.475 1.801 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000073643723 441337886 /nfs/dbraw/zinc/33/78/86/441337886.db2.gz WMUMKVJLHGEWNM-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000073643723 441337888 /nfs/dbraw/zinc/33/78/88/441337888.db2.gz WMUMKVJLHGEWNM-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@H](CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000063732888 441348388 /nfs/dbraw/zinc/34/83/88/441348388.db2.gz OCNNPRZXQSMYQA-GOSISDBHSA-N 2 1 344.503 1.405 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081686163 441302348 /nfs/dbraw/zinc/30/23/48/441302348.db2.gz SFBGMVBPYXFKBR-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)Cc1ccccc1 ZINC000052875094 441483789 /nfs/dbraw/zinc/48/37/89/441483789.db2.gz UJEDTDRWPFUYEI-LJQANCHMSA-N 2 1 347.503 1.982 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)Cc1ccccc1 ZINC000052875094 441483795 /nfs/dbraw/zinc/48/37/95/441483795.db2.gz UJEDTDRWPFUYEI-LJQANCHMSA-N 2 1 347.503 1.982 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)Cc1ccccc1 ZINC000052875094 441483799 /nfs/dbraw/zinc/48/37/99/441483799.db2.gz UJEDTDRWPFUYEI-LJQANCHMSA-N 2 1 347.503 1.982 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)CC1 ZINC000066962094 441595520 /nfs/dbraw/zinc/59/55/20/441595520.db2.gz ZSTXVWPXXRXVCK-CQSZACIVSA-N 2 1 335.452 1.158 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)CC1 ZINC000066962094 441595522 /nfs/dbraw/zinc/59/55/22/441595522.db2.gz ZSTXVWPXXRXVCK-CQSZACIVSA-N 2 1 335.452 1.158 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000114179821 441639613 /nfs/dbraw/zinc/63/96/13/441639613.db2.gz FEURWDHOLMCYIJ-UHFFFAOYSA-N 2 1 333.432 1.802 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158507383 441743060 /nfs/dbraw/zinc/74/30/60/441743060.db2.gz MLIHNZABICJYIE-HXUWFJFHSA-N 2 1 342.487 1.016 20 0 EDADMP C[C@H]1C[C@@H](N(C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000158803149 441765658 /nfs/dbraw/zinc/76/56/58/441765658.db2.gz FDQVKIMJIBGHIY-WDSOQIARSA-N 2 1 346.519 1.820 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000121723090 441765919 /nfs/dbraw/zinc/76/59/19/441765919.db2.gz HTQNERKITULWBP-QGZVFWFLSA-N 2 1 328.501 1.253 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000077546318 441802294 /nfs/dbraw/zinc/80/22/94/441802294.db2.gz XEJVZOSUPBVQON-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CCC[NH+]1CCCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000077546318 441802301 /nfs/dbraw/zinc/80/23/01/441802301.db2.gz XEJVZOSUPBVQON-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CCC[NH+]1CCCN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000077546318 441802304 /nfs/dbraw/zinc/80/23/04/441802304.db2.gz XEJVZOSUPBVQON-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OC)cc3OC)C2)CC1 ZINC000093132623 441859356 /nfs/dbraw/zinc/85/93/56/441859356.db2.gz HPFCGTVUHPIJRN-KRWDZBQOSA-N 2 1 333.476 1.916 20 0 EDADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000092692537 441822109 /nfs/dbraw/zinc/82/21/09/441822109.db2.gz NVYBPXCCSIKCSE-GOSISDBHSA-N 2 1 346.475 1.477 20 0 EDADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000092692537 441822117 /nfs/dbraw/zinc/82/21/17/441822117.db2.gz NVYBPXCCSIKCSE-GOSISDBHSA-N 2 1 346.475 1.477 20 0 EDADMP CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000043293244 441830166 /nfs/dbraw/zinc/83/01/66/441830166.db2.gz VABORKYDXKNDQS-UHFFFAOYSA-N 2 1 330.476 1.998 20 0 EDADMP Cc1[nH+]ccn1-c1cncc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000092919934 441839175 /nfs/dbraw/zinc/83/91/75/441839175.db2.gz NIGPQDOARQOILI-OAHLLOKOSA-N 2 1 328.420 1.129 20 0 EDADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000122238912 441840610 /nfs/dbraw/zinc/84/06/10/441840610.db2.gz ISWAWENYWASWKK-QGZVFWFLSA-N 2 1 346.519 1.779 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000122238912 441840616 /nfs/dbraw/zinc/84/06/16/441840616.db2.gz ISWAWENYWASWKK-QGZVFWFLSA-N 2 1 346.519 1.779 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118095874 441887205 /nfs/dbraw/zinc/88/72/05/441887205.db2.gz IUAGLRSEQYPNMS-KRWDZBQOSA-N 2 1 346.475 1.330 20 0 EDADMP CC(C)(CNC(=O)NCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000078407524 441929238 /nfs/dbraw/zinc/92/92/38/441929238.db2.gz SBMYIOXYNPWIMB-UHFFFAOYSA-N 2 1 326.485 1.272 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000174692782 441954972 /nfs/dbraw/zinc/95/49/72/441954972.db2.gz BLLJSNPCSGBGPP-GOSISDBHSA-N 2 1 349.450 1.627 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000174692782 441954980 /nfs/dbraw/zinc/95/49/80/441954980.db2.gz BLLJSNPCSGBGPP-GOSISDBHSA-N 2 1 349.450 1.627 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175077473 442002268 /nfs/dbraw/zinc/00/22/68/442002268.db2.gz PISZCEVQMWTDRG-DOTOQJQBSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000120338934 442051964 /nfs/dbraw/zinc/05/19/64/442051964.db2.gz UQMWDQXHNHUBLL-YJBOKZPZSA-N 2 1 347.459 1.614 20 0 EDADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458670217 447446801 /nfs/dbraw/zinc/44/68/01/447446801.db2.gz XDALCIFPBQIFTE-IRXDYDNUSA-N 2 1 340.512 1.397 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163517304 442171698 /nfs/dbraw/zinc/17/16/98/442171698.db2.gz OZNNLXUBYKSXRP-WBVHZDCISA-N 3 1 338.540 1.543 20 0 EDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163517304 442171701 /nfs/dbraw/zinc/17/17/01/442171701.db2.gz OZNNLXUBYKSXRP-WBVHZDCISA-N 2 1 338.540 1.543 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cnn2c1CCCC2 ZINC000127008161 442161733 /nfs/dbraw/zinc/16/17/33/442161733.db2.gz MHDNSZIVPDFVNF-UHFFFAOYSA-N 2 1 333.480 1.317 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cnn2c1CCCC2 ZINC000127008161 442161734 /nfs/dbraw/zinc/16/17/34/442161734.db2.gz MHDNSZIVPDFVNF-UHFFFAOYSA-N 2 1 333.480 1.317 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000152890942 442249786 /nfs/dbraw/zinc/24/97/86/442249786.db2.gz LXPSRBPKWMLOGC-KRWDZBQOSA-N 2 1 339.528 1.045 20 0 EDADMP CC[N@@H+]1CCC[C@@H](CNC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000152890942 442249790 /nfs/dbraw/zinc/24/97/90/442249790.db2.gz LXPSRBPKWMLOGC-KRWDZBQOSA-N 2 1 339.528 1.045 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000152890942 442249794 /nfs/dbraw/zinc/24/97/94/442249794.db2.gz LXPSRBPKWMLOGC-KRWDZBQOSA-N 2 1 339.528 1.045 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000165838621 442211519 /nfs/dbraw/zinc/21/15/19/442211519.db2.gz QXBBEHSFDQIHKI-CVEARBPZSA-N 2 1 344.459 1.530 20 0 EDADMP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CSC[NH2+]3)CC2)cc1 ZINC000166219997 442214819 /nfs/dbraw/zinc/21/48/19/442214819.db2.gz MZEBYXDJTRJMAI-QGZVFWFLSA-N 2 1 349.500 1.686 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000152468270 442216354 /nfs/dbraw/zinc/21/63/54/442216354.db2.gz WBYCPZDDLFHACP-INIZCTEOSA-N 2 1 333.476 1.518 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000152468270 442216356 /nfs/dbraw/zinc/21/63/56/442216356.db2.gz WBYCPZDDLFHACP-INIZCTEOSA-N 2 1 333.476 1.518 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000152468270 442216359 /nfs/dbraw/zinc/21/63/59/442216359.db2.gz WBYCPZDDLFHACP-INIZCTEOSA-N 2 1 333.476 1.518 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000152468270 442216366 /nfs/dbraw/zinc/21/63/66/442216366.db2.gz WBYCPZDDLFHACP-INIZCTEOSA-N 2 1 333.476 1.518 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C[C@@H]3CCC[NH2+]3)CC2)oc1C ZINC000168628487 442224661 /nfs/dbraw/zinc/22/46/61/442224661.db2.gz SZOZAUZTQYWVKX-INIZCTEOSA-N 2 1 334.464 1.762 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[NH2+]3)CC2)cs1 ZINC000168631630 442224768 /nfs/dbraw/zinc/22/47/68/442224768.db2.gz YTXMSSXXVSSCFQ-OAHLLOKOSA-N 2 1 336.505 1.786 20 0 EDADMP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CSC[NH2+]1 ZINC000168880881 442225357 /nfs/dbraw/zinc/22/53/57/442225357.db2.gz XVFCJDJILOVLCR-CYBMUJFWSA-N 2 1 329.535 1.517 20 0 EDADMP CCC(CC)[C@@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000152750453 442241662 /nfs/dbraw/zinc/24/16/62/442241662.db2.gz ZFBGNEGYJVJCMA-RDJZCZTQSA-N 2 1 325.497 1.629 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000128717312 442284331 /nfs/dbraw/zinc/28/43/31/442284331.db2.gz WZVSSIQASJFWGB-SJORKVTESA-N 2 1 345.491 1.050 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000170746032 442256950 /nfs/dbraw/zinc/25/69/50/442256950.db2.gz MUKRBABWVZJSMQ-HNNXBMFYSA-N 2 1 335.496 1.479 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000170746032 442256953 /nfs/dbraw/zinc/25/69/53/442256953.db2.gz MUKRBABWVZJSMQ-HNNXBMFYSA-N 2 1 335.496 1.479 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000171189190 442324794 /nfs/dbraw/zinc/32/47/94/442324794.db2.gz JATROWNBJBENJG-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000171236786 442331839 /nfs/dbraw/zinc/33/18/39/442331839.db2.gz FMTAPSCLIWMXDU-VVLHAWIVSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000171236786 442331841 /nfs/dbraw/zinc/33/18/41/442331841.db2.gz FMTAPSCLIWMXDU-VVLHAWIVSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000171236786 442331844 /nfs/dbraw/zinc/33/18/44/442331844.db2.gz FMTAPSCLIWMXDU-VVLHAWIVSA-N 2 1 325.497 1.721 20 0 EDADMP CCC[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CCN1CCOC ZINC000130929648 442359545 /nfs/dbraw/zinc/35/95/45/442359545.db2.gz WKILZDTWDRUWRG-JKSUJKDBSA-N 2 1 343.537 1.383 20 0 EDADMP C[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000133521288 442422407 /nfs/dbraw/zinc/42/24/07/442422407.db2.gz YXSPRMMAFAQWCU-GXTWGEPZSA-N 2 1 339.530 1.706 20 0 EDADMP C[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000133521288 442422412 /nfs/dbraw/zinc/42/24/12/442422412.db2.gz YXSPRMMAFAQWCU-GXTWGEPZSA-N 2 1 339.530 1.706 20 0 EDADMP COCc1cc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000178673091 442455190 /nfs/dbraw/zinc/45/51/90/442455190.db2.gz XXXTWUQQYGOTCB-OAHLLOKOSA-N 2 1 349.475 1.656 20 0 EDADMP O=C(C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)NCCOc1ccccc1 ZINC000156308677 442465819 /nfs/dbraw/zinc/46/58/19/442465819.db2.gz YNHLILXNNCAVHO-GOSISDBHSA-N 2 1 341.411 1.730 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](Oc2ccncc2)C1)NCCOc1ccccc1 ZINC000156308677 442465823 /nfs/dbraw/zinc/46/58/23/442465823.db2.gz YNHLILXNNCAVHO-GOSISDBHSA-N 2 1 341.411 1.730 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000192017582 442569485 /nfs/dbraw/zinc/56/94/85/442569485.db2.gz UJFDFDSZVNXINN-VXGBXAGGSA-N 2 1 325.375 1.083 20 0 EDADMP CSC[C@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000135487958 442600994 /nfs/dbraw/zinc/60/09/94/442600994.db2.gz ABZHMQIAJYUYSE-HZPDHXFCSA-N 2 1 343.537 1.287 20 0 EDADMP CSC[C@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000135487958 442600998 /nfs/dbraw/zinc/60/09/98/442600998.db2.gz ABZHMQIAJYUYSE-HZPDHXFCSA-N 2 1 343.537 1.287 20 0 EDADMP CSC[C@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000135487958 442601002 /nfs/dbraw/zinc/60/10/02/442601002.db2.gz ABZHMQIAJYUYSE-HZPDHXFCSA-N 2 1 343.537 1.287 20 0 EDADMP CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)C1CC[NH+](C)CC1 ZINC000179380438 442636476 /nfs/dbraw/zinc/63/64/76/442636476.db2.gz CICHSHNOUAROJO-LJQANCHMSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@@H]1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H]1n1ccnc1 ZINC000136097427 442649750 /nfs/dbraw/zinc/64/97/50/442649750.db2.gz NPMMCRLKQZCZNI-OIISXLGYSA-N 2 1 342.447 1.695 20 0 EDADMP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)s1 ZINC000181506294 442700366 /nfs/dbraw/zinc/70/03/66/442700366.db2.gz OESONOLODBCSNK-RISCZKNCSA-N 2 1 345.534 1.716 20 0 EDADMP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)s1 ZINC000181506294 442700368 /nfs/dbraw/zinc/70/03/68/442700368.db2.gz OESONOLODBCSNK-RISCZKNCSA-N 2 1 345.534 1.716 20 0 EDADMP CCOC1CC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)(N2CCOCC2)C1 ZINC000193398840 442739054 /nfs/dbraw/zinc/73/90/54/442739054.db2.gz OQLVBBQTSORKGJ-YYZRRKBYSA-N 2 1 337.508 1.473 20 0 EDADMP C[N@@H+](CCN1CC[NH+](CCC2OCCCO2)CC1)Cc1ccccc1 ZINC000267966132 442802216 /nfs/dbraw/zinc/80/22/16/442802216.db2.gz UPEHEGPSPFBLBO-UHFFFAOYSA-N 2 1 347.503 1.889 20 0 EDADMP C=Cn1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)cn1 ZINC000193889811 442806250 /nfs/dbraw/zinc/80/62/50/442806250.db2.gz NWMALIFHOUCZAP-UHFFFAOYSA-N 2 1 345.491 1.750 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000188545508 442762188 /nfs/dbraw/zinc/76/21/88/442762188.db2.gz JMGPNADEVSCOLU-OAHLLOKOSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000188545508 442762191 /nfs/dbraw/zinc/76/21/91/442762191.db2.gz JMGPNADEVSCOLU-OAHLLOKOSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000188545508 442762195 /nfs/dbraw/zinc/76/21/95/442762195.db2.gz JMGPNADEVSCOLU-OAHLLOKOSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H](O)C[C@H]1CCC[N@H+]1CCOCC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000246744313 442809941 /nfs/dbraw/zinc/80/99/41/442809941.db2.gz PSQHBJQSNHJNBY-XLAORIBOSA-N 2 1 328.497 1.474 20 0 EDADMP C[C@H](O)C[C@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246744313 442809944 /nfs/dbraw/zinc/80/99/44/442809944.db2.gz PSQHBJQSNHJNBY-XLAORIBOSA-N 2 1 328.497 1.474 20 0 EDADMP C[C@H](O)C[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246744313 442809947 /nfs/dbraw/zinc/80/99/47/442809947.db2.gz PSQHBJQSNHJNBY-XLAORIBOSA-N 2 1 328.497 1.474 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000246744884 442810154 /nfs/dbraw/zinc/81/01/54/442810154.db2.gz YWOFVFUDMRNRTE-BBWFWOEESA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000246744884 442810156 /nfs/dbraw/zinc/81/01/56/442810156.db2.gz YWOFVFUDMRNRTE-BBWFWOEESA-N 2 1 340.512 1.325 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188799248 442816074 /nfs/dbraw/zinc/81/60/74/442816074.db2.gz WDRHUOAYSUDTOV-HLLBOEOZSA-N 2 1 334.439 1.013 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000268028532 442823181 /nfs/dbraw/zinc/82/31/81/442823181.db2.gz LPCDYEILALHSTN-UHFFFAOYSA-N 2 1 340.468 1.321 20 0 EDADMP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000268090422 442843487 /nfs/dbraw/zinc/84/34/87/442843487.db2.gz FYHDETDHMRTIDM-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000268090422 442843492 /nfs/dbraw/zinc/84/34/92/442843492.db2.gz FYHDETDHMRTIDM-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)/C=C/C[NH+](C)C ZINC000265751221 442907643 /nfs/dbraw/zinc/90/76/43/442907643.db2.gz XAEHLQZJWFFBBK-JXMROGBWSA-N 2 1 330.476 1.385 20 0 EDADMP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000189423384 442949141 /nfs/dbraw/zinc/94/91/41/442949141.db2.gz ZZGPDDZIASTOJX-SFHVURJKSA-N 2 1 331.460 1.490 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000189423384 442949147 /nfs/dbraw/zinc/94/91/47/442949147.db2.gz ZZGPDDZIASTOJX-SFHVURJKSA-N 2 1 331.460 1.490 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000189423384 442949150 /nfs/dbraw/zinc/94/91/50/442949150.db2.gz ZZGPDDZIASTOJX-SFHVURJKSA-N 2 1 331.460 1.490 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000189423384 442949153 /nfs/dbraw/zinc/94/91/53/442949153.db2.gz ZZGPDDZIASTOJX-SFHVURJKSA-N 2 1 331.460 1.490 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000248691791 442918805 /nfs/dbraw/zinc/91/88/05/442918805.db2.gz YAAJIOCSAXMJMK-NCOADZHNSA-N 2 1 340.512 1.203 20 0 EDADMP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000183387966 318523339 /nfs/dbraw/zinc/52/33/39/318523339.db2.gz SEWXBTFSEORIDW-AWEZNQCLSA-N 2 1 339.480 1.251 20 0 EDADMP O=C(C[N@@H+]1CC[C@H](CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000265819211 442932699 /nfs/dbraw/zinc/93/26/99/442932699.db2.gz KOSPKAFHAFNZOX-SFHVURJKSA-N 2 1 331.460 1.213 20 0 EDADMP Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000189438741 442954169 /nfs/dbraw/zinc/95/41/69/442954169.db2.gz XCQITOZERPIMBX-OAHLLOKOSA-N 2 1 326.466 1.082 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000249770408 443005151 /nfs/dbraw/zinc/00/51/51/443005151.db2.gz LBNKPZBOJUKFHV-BBWFWOEESA-N 2 1 340.512 1.326 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000249770408 443005154 /nfs/dbraw/zinc/00/51/54/443005154.db2.gz LBNKPZBOJUKFHV-BBWFWOEESA-N 2 1 340.512 1.326 20 0 EDADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000266256765 443076336 /nfs/dbraw/zinc/07/63/36/443076336.db2.gz UARPQLILHOJEEJ-IAGOWNOFSA-N 2 1 345.487 1.810 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000266256765 443076339 /nfs/dbraw/zinc/07/63/39/443076339.db2.gz UARPQLILHOJEEJ-IAGOWNOFSA-N 2 1 345.487 1.810 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000236668175 443143223 /nfs/dbraw/zinc/14/32/23/443143223.db2.gz OARKXCFDUPWUDI-ZWKOTPCHSA-N 2 1 331.460 1.174 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C1(C[NH3+])CCCC1 ZINC000237137711 443160126 /nfs/dbraw/zinc/16/01/26/443160126.db2.gz UMEMAPJGGYNXEB-UHFFFAOYSA-N 2 1 344.503 1.786 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC2)cn1 ZINC000185207027 443160995 /nfs/dbraw/zinc/16/09/95/443160995.db2.gz YVAFIAUQCKWPPD-UHFFFAOYSA-N 2 1 342.447 1.811 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CC2)cn1 ZINC000185207027 443160999 /nfs/dbraw/zinc/16/09/99/443160999.db2.gz YVAFIAUQCKWPPD-UHFFFAOYSA-N 2 1 342.447 1.811 20 0 EDADMP COc1cccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000190940638 443212413 /nfs/dbraw/zinc/21/24/13/443212413.db2.gz QJGJYYYKAMAESN-UHFFFAOYSA-N 2 1 342.443 1.671 20 0 EDADMP C[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185744822 443249080 /nfs/dbraw/zinc/24/90/80/443249080.db2.gz SIFVPFWPHKPVCX-KGLIPLIRSA-N 2 1 338.496 1.853 20 0 EDADMP C[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185744822 443249082 /nfs/dbraw/zinc/24/90/82/443249082.db2.gz SIFVPFWPHKPVCX-KGLIPLIRSA-N 2 1 338.496 1.853 20 0 EDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414064052 319314801 /nfs/dbraw/zinc/31/48/01/319314801.db2.gz FHQORNRUNKEDBX-OLZOCXBDSA-N 2 1 342.281 1.931 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000414656249 319337400 /nfs/dbraw/zinc/33/74/00/319337400.db2.gz IGSJWCSLGHHLTI-HNNXBMFYSA-N 2 1 344.415 1.357 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415242317 319356103 /nfs/dbraw/zinc/35/61/03/319356103.db2.gz UMKUCWFZXRDRFX-ZDUSSCGKSA-N 2 1 332.448 1.116 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cn2cc[nH+]c12 ZINC000415837832 319376625 /nfs/dbraw/zinc/37/66/25/319376625.db2.gz CUUQBJRRBIWVPU-AAEUAGOBSA-N 2 1 329.404 1.025 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000266863875 443271122 /nfs/dbraw/zinc/27/11/22/443271122.db2.gz VGBQGVOYLHHIMM-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000266863875 443271127 /nfs/dbraw/zinc/27/11/27/443271127.db2.gz VGBQGVOYLHHIMM-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000266863875 443271133 /nfs/dbraw/zinc/27/11/33/443271133.db2.gz VGBQGVOYLHHIMM-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000266863875 443271135 /nfs/dbraw/zinc/27/11/35/443271135.db2.gz VGBQGVOYLHHIMM-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+]1CCC(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000266868562 443273098 /nfs/dbraw/zinc/27/30/98/443273098.db2.gz WVICZHLYUOZCCK-UHFFFAOYSA-N 2 1 345.491 1.052 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000191485625 443301118 /nfs/dbraw/zinc/30/11/18/443301118.db2.gz YROLEDNNXDWXCK-UHFFFAOYSA-N 2 1 349.479 1.878 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000191485625 443301123 /nfs/dbraw/zinc/30/11/23/443301123.db2.gz YROLEDNNXDWXCK-UHFFFAOYSA-N 2 1 349.479 1.878 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000186055593 443304512 /nfs/dbraw/zinc/30/45/12/443304512.db2.gz AKWCBGNYZVUKFA-UHFFFAOYSA-N 2 1 347.503 1.719 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)[NH+](C)C ZINC000416850803 319466595 /nfs/dbraw/zinc/46/65/95/319466595.db2.gz QLKOTFFUBPKOSU-DZKIICNBSA-N 2 1 334.464 1.690 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000272445833 443320572 /nfs/dbraw/zinc/32/05/72/443320572.db2.gz LWCWOKLQNXBERF-MJGOQNOKSA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000272445833 443320575 /nfs/dbraw/zinc/32/05/75/443320575.db2.gz LWCWOKLQNXBERF-MJGOQNOKSA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)NCC[N@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000272445833 443320579 /nfs/dbraw/zinc/32/05/79/443320579.db2.gz LWCWOKLQNXBERF-MJGOQNOKSA-N 2 1 342.487 1.780 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420367502 319611014 /nfs/dbraw/zinc/61/10/14/319611014.db2.gz SPOAUZAQKBPPDW-KRWDZBQOSA-N 2 1 333.476 1.817 20 0 EDADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000620011951 450402235 /nfs/dbraw/zinc/40/22/35/450402235.db2.gz UFLUTRJVDDSLCB-KRWDZBQOSA-N 2 1 341.415 1.250 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCSCC2)[C@H]1c1ccccc1 ZINC000270245441 443464836 /nfs/dbraw/zinc/46/48/36/443464836.db2.gz DISFWJOWAQPXAC-DLBZAZTESA-N 2 1 348.516 1.780 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCSCC2)[C@H]1c1ccccc1 ZINC000270245441 443464843 /nfs/dbraw/zinc/46/48/43/443464843.db2.gz DISFWJOWAQPXAC-DLBZAZTESA-N 2 1 348.516 1.780 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000273037831 443524574 /nfs/dbraw/zinc/52/45/74/443524574.db2.gz ULJZCUOTGPMSJI-HXUWFJFHSA-N 2 1 344.503 1.554 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCC[NH+]1CC=CCC1 ZINC000279918082 443641531 /nfs/dbraw/zinc/64/15/31/443641531.db2.gz FYYKKJYIFVOXDN-IBGZPJMESA-N 2 1 343.471 1.656 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[NH+]1CC=CCC1 ZINC000279918082 443641535 /nfs/dbraw/zinc/64/15/35/443641535.db2.gz FYYKKJYIFVOXDN-IBGZPJMESA-N 2 1 343.471 1.656 20 0 EDADMP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)NCC[N@H+]1CC=CCC1 ZINC000279918082 443641539 /nfs/dbraw/zinc/64/15/39/443641539.db2.gz FYYKKJYIFVOXDN-IBGZPJMESA-N 2 1 343.471 1.656 20 0 EDADMP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)NCC[N@@H+]1CC=CCC1 ZINC000279918082 443641542 /nfs/dbraw/zinc/64/15/42/443641542.db2.gz FYYKKJYIFVOXDN-IBGZPJMESA-N 2 1 343.471 1.656 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000439344242 320045318 /nfs/dbraw/zinc/04/53/18/320045318.db2.gz DUHRTRGKQCRKQC-IAGOWNOFSA-N 2 1 325.497 1.770 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CCOC ZINC000439964347 320056251 /nfs/dbraw/zinc/05/62/51/320056251.db2.gz WBFJNNUSAZKUDK-AEFFLSMTSA-N 2 1 337.508 1.963 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CCOC ZINC000439964347 320056253 /nfs/dbraw/zinc/05/62/53/320056253.db2.gz WBFJNNUSAZKUDK-AEFFLSMTSA-N 2 1 337.508 1.963 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CCOC ZINC000439964347 320056255 /nfs/dbraw/zinc/05/62/55/320056255.db2.gz WBFJNNUSAZKUDK-AEFFLSMTSA-N 2 1 337.508 1.963 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CCOC ZINC000439964347 320056257 /nfs/dbraw/zinc/05/62/57/320056257.db2.gz WBFJNNUSAZKUDK-AEFFLSMTSA-N 2 1 337.508 1.963 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000441221239 320093153 /nfs/dbraw/zinc/09/31/53/320093153.db2.gz CRIFRSHBTLVZKO-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000441397958 320093917 /nfs/dbraw/zinc/09/39/17/320093917.db2.gz RPBQRAWZYXDJCJ-GJZGRUSLSA-N 2 1 338.496 1.364 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)[NH2+]CC[S@@](=O)c2ccccc2)CC1 ZINC000451989945 320241015 /nfs/dbraw/zinc/24/10/15/320241015.db2.gz QQLHDUWDQWPCEO-HSZRJFAPSA-N 2 1 337.533 1.800 20 0 EDADMP C[C@@H](CNC(=O)NCCCCC[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000454623873 320292395 /nfs/dbraw/zinc/29/23/95/320292395.db2.gz AZVBSNMECFZVEG-KRWDZBQOSA-N 2 1 340.512 1.520 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC000457491322 320328082 /nfs/dbraw/zinc/32/80/82/320328082.db2.gz NSLUIMOZOIFLLI-SQNIBIBYSA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000457491322 320328083 /nfs/dbraw/zinc/32/80/83/320328083.db2.gz NSLUIMOZOIFLLI-SQNIBIBYSA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000457491322 320328084 /nfs/dbraw/zinc/32/80/84/320328084.db2.gz NSLUIMOZOIFLLI-SQNIBIBYSA-N 2 1 328.460 1.606 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](CCO)C[C@H]1C)CC(C)C ZINC000457596738 320330051 /nfs/dbraw/zinc/33/00/51/320330051.db2.gz BTUFJIBLSXMSGU-IAGOWNOFSA-N 2 1 342.528 1.451 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C)CC(C)C ZINC000457596738 320330052 /nfs/dbraw/zinc/33/00/52/320330052.db2.gz BTUFJIBLSXMSGU-IAGOWNOFSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000457747956 320334818 /nfs/dbraw/zinc/33/48/18/320334818.db2.gz UNOLNAZTRDYPEQ-SJORKVTESA-N 2 1 340.512 1.207 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000457747956 320334819 /nfs/dbraw/zinc/33/48/19/320334819.db2.gz UNOLNAZTRDYPEQ-SJORKVTESA-N 2 1 340.512 1.207 20 0 EDADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)C1 ZINC000457747956 320334820 /nfs/dbraw/zinc/33/48/20/320334820.db2.gz UNOLNAZTRDYPEQ-SJORKVTESA-N 2 1 340.512 1.207 20 0 EDADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)C1 ZINC000457747956 320334821 /nfs/dbraw/zinc/33/48/21/320334821.db2.gz UNOLNAZTRDYPEQ-SJORKVTESA-N 2 1 340.512 1.207 20 0 EDADMP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000286266405 443679499 /nfs/dbraw/zinc/67/94/99/443679499.db2.gz VVGWLILAOZAUSD-ZWKOTPCHSA-N 2 1 331.460 1.617 20 0 EDADMP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000286266405 443679502 /nfs/dbraw/zinc/67/95/02/443679502.db2.gz VVGWLILAOZAUSD-ZWKOTPCHSA-N 2 1 331.460 1.617 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](C)CC1 ZINC000516779069 320441282 /nfs/dbraw/zinc/44/12/82/320441282.db2.gz CHRJUAIWJZVLNU-INIZCTEOSA-N 2 1 332.448 1.445 20 0 EDADMP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000521628893 320484823 /nfs/dbraw/zinc/48/48/23/320484823.db2.gz DZOHVYXGMTYGSK-MAZHCROVSA-N 2 1 337.851 1.316 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(C(N)=O)=NO2)CC[N@@H+]1Cc1ccccc1 ZINC000276536146 443738322 /nfs/dbraw/zinc/73/83/22/443738322.db2.gz WYTCYYVRZPBYGO-KBMXLJTQSA-N 2 1 330.432 1.259 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(C(N)=O)=NO2)CC[N@H+]1Cc1ccccc1 ZINC000276536146 443738326 /nfs/dbraw/zinc/73/83/26/443738326.db2.gz WYTCYYVRZPBYGO-KBMXLJTQSA-N 2 1 330.432 1.259 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@@H]1C ZINC000276578780 443753539 /nfs/dbraw/zinc/75/35/39/443753539.db2.gz HVEALUCCMCZXSA-HNNXBMFYSA-N 2 1 331.460 1.168 20 0 EDADMP COCC[N@H+]1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@@H]1C ZINC000276578780 443753540 /nfs/dbraw/zinc/75/35/40/443753540.db2.gz HVEALUCCMCZXSA-HNNXBMFYSA-N 2 1 331.460 1.168 20 0 EDADMP C[N@H+]1CCCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)CC1 ZINC000298701788 443843714 /nfs/dbraw/zinc/84/37/14/443843714.db2.gz HJLFNURORBSGEK-UHFFFAOYSA-N 2 1 330.476 1.782 20 0 EDADMP C[NH+]1CCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000298701788 443843717 /nfs/dbraw/zinc/84/37/17/443843717.db2.gz HJLFNURORBSGEK-UHFFFAOYSA-N 2 1 330.476 1.782 20 0 EDADMP C[NH+]1CCCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000298701788 443843720 /nfs/dbraw/zinc/84/37/20/443843720.db2.gz HJLFNURORBSGEK-UHFFFAOYSA-N 2 1 330.476 1.782 20 0 EDADMP C[N@H+]1CCCN(C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000298705120 443844559 /nfs/dbraw/zinc/84/45/59/443844559.db2.gz UJNDEHGGNAEYIN-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+]1CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000298705120 443844562 /nfs/dbraw/zinc/84/45/62/443844562.db2.gz UJNDEHGGNAEYIN-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+]1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000298705120 443844564 /nfs/dbraw/zinc/84/45/64/443844564.db2.gz UJNDEHGGNAEYIN-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cn2cc[nH+]c12 ZINC000293202772 443950930 /nfs/dbraw/zinc/95/09/30/443950930.db2.gz ZGPUWVHDPBNBEK-ZDUSSCGKSA-N 2 1 341.415 1.182 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cn2cc[nH+]c12 ZINC000293202772 443950935 /nfs/dbraw/zinc/95/09/35/443950935.db2.gz ZGPUWVHDPBNBEK-ZDUSSCGKSA-N 2 1 341.415 1.182 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000293015808 443903438 /nfs/dbraw/zinc/90/34/38/443903438.db2.gz QEPVTWIKQQLJDX-IBGZPJMESA-N 2 1 327.428 1.700 20 0 EDADMP CCN1CC[NH+]([C@@H]2CCN(Cc3nncn3-c3ccccc3)C2)CC1 ZINC000277718444 444029822 /nfs/dbraw/zinc/02/98/22/444029822.db2.gz NFPBFEAFGIOYNH-GOSISDBHSA-N 2 1 340.475 1.479 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000562800025 321076623 /nfs/dbraw/zinc/07/66/23/321076623.db2.gz GLWAMAWMQOUETM-MRXNPFEDSA-N 2 1 334.489 1.221 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562804057 321077240 /nfs/dbraw/zinc/07/72/40/321077240.db2.gz LIPHSOAEMNSRJM-VYDXJSESSA-N 2 1 334.464 1.265 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562804057 321077241 /nfs/dbraw/zinc/07/72/41/321077241.db2.gz LIPHSOAEMNSRJM-VYDXJSESSA-N 2 1 334.464 1.265 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000562993587 321086283 /nfs/dbraw/zinc/08/62/83/321086283.db2.gz KBMGZTWNMOMPNM-QGZVFWFLSA-N 2 1 325.497 1.460 20 0 EDADMP CN(C)c1[nH+]ccc2cc(NC[C@H](O)CN3CC[NH+](C)CC3)ccc21 ZINC000563009934 321087640 /nfs/dbraw/zinc/08/76/40/321087640.db2.gz NYVOWHZCIQBGGO-KRWDZBQOSA-N 2 1 343.475 1.321 20 0 EDADMP CCCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1CC[NH2+]C1 ZINC000563099956 321095323 /nfs/dbraw/zinc/09/53/23/321095323.db2.gz ILJAGAYUJHVMMU-ROUUACIJSA-N 2 1 330.476 1.894 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000565881038 321204574 /nfs/dbraw/zinc/20/45/74/321204574.db2.gz BUCLSQDTMHMNSJ-CABCVRRESA-N 2 1 338.402 1.557 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)COC2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000566173137 321220889 /nfs/dbraw/zinc/22/08/89/321220889.db2.gz LLHNTIRWQDPICI-WXLSXGNJSA-N 2 1 341.496 1.277 20 0 EDADMP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)C[C@H]2CCCNC2=O)CCCN1C ZINC000568848018 321308281 /nfs/dbraw/zinc/30/82/81/321308281.db2.gz SVGFZJHRPPQELF-ZMSDIMECSA-N 2 1 333.480 1.261 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)N3CC[C@@H]([NH3+])C3)CCCCC2)CCO1 ZINC000570072124 321336618 /nfs/dbraw/zinc/33/66/18/321336618.db2.gz HPNQXGGXCCPFCQ-OAHLLOKOSA-N 2 1 338.496 1.543 20 0 EDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000570106084 321338023 /nfs/dbraw/zinc/33/80/23/321338023.db2.gz HOPYJWDDOFHXMA-JKSUJKDBSA-N 2 1 346.475 1.765 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3nccn3C)C2)CC1 ZINC000570694557 321354251 /nfs/dbraw/zinc/35/42/51/321354251.db2.gz KDHIETATRLUIAV-HNNXBMFYSA-N 2 1 333.480 1.198 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000299668961 444110488 /nfs/dbraw/zinc/11/04/88/444110488.db2.gz IQSWTVDXNJJCSW-UHFFFAOYSA-N 2 1 332.492 1.887 20 0 EDADMP CCc1oc(C(=O)OC)cc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289464773 444151559 /nfs/dbraw/zinc/15/15/59/444151559.db2.gz QLNHAQRGKJLFFI-UHFFFAOYSA-N 2 1 339.480 1.944 20 0 EDADMP C[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000289827781 444208672 /nfs/dbraw/zinc/20/86/72/444208672.db2.gz JPAOUIYKFHGEKW-WMZOPIPTSA-N 2 1 330.476 1.013 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000296219149 444212769 /nfs/dbraw/zinc/21/27/69/444212769.db2.gz BWEXSAVEVWTLLV-BBRMVZONSA-N 2 1 332.448 1.463 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000296219149 444212771 /nfs/dbraw/zinc/21/27/71/444212771.db2.gz BWEXSAVEVWTLLV-BBRMVZONSA-N 2 1 332.448 1.463 20 0 EDADMP CNc1cc(N2CCC[C@H]2CNc2ccncc2C(N)=O)ncn1 ZINC000302020972 444200796 /nfs/dbraw/zinc/20/07/96/444200796.db2.gz HZRORFHPJICUIR-NSHDSACASA-N 2 1 327.392 1.093 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000296063252 444201898 /nfs/dbraw/zinc/20/18/98/444201898.db2.gz WBMIACVQXLLNOV-WWTUQBGBSA-N 2 1 337.489 1.871 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)nc1 ZINC000297046096 444270072 /nfs/dbraw/zinc/27/00/72/444270072.db2.gz JUIJNJVMVYSXKK-MRXNPFEDSA-N 2 1 349.479 1.338 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)[nH+]c1 ZINC000297046096 444270074 /nfs/dbraw/zinc/27/00/74/444270074.db2.gz JUIJNJVMVYSXKK-MRXNPFEDSA-N 2 1 349.479 1.338 20 0 EDADMP C[C@H](O)[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H]([C@H](C)O)C2)C1 ZINC000305672237 444271986 /nfs/dbraw/zinc/27/19/86/444271986.db2.gz XSWNEXXMQJOBCA-XLAORIBOSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@H](O)[C@@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@H]([C@H](C)O)C2)C1 ZINC000305672237 444271988 /nfs/dbraw/zinc/27/19/88/444271988.db2.gz XSWNEXXMQJOBCA-XLAORIBOSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@H](O)[C@@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@H]([C@H](C)O)C2)C1 ZINC000305672237 444271990 /nfs/dbraw/zinc/27/19/90/444271990.db2.gz XSWNEXXMQJOBCA-XLAORIBOSA-N 2 1 328.497 1.189 20 0 EDADMP Cn1cc[nH+]c1CC1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000302917436 444231716 /nfs/dbraw/zinc/23/17/16/444231716.db2.gz WYOCUNCXICSCJA-UHFFFAOYSA-N 2 1 342.447 1.506 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000303242564 444235125 /nfs/dbraw/zinc/23/51/25/444235125.db2.gz CEQZKSUDJDRNPC-HOTGVXAUSA-N 2 1 339.524 1.848 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000303450503 444237416 /nfs/dbraw/zinc/23/74/16/444237416.db2.gz CPSAPRJXXNJOGS-SFHVURJKSA-N 2 1 325.497 1.140 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C[C@H](C)O)C(C)C)CC1 ZINC000304010360 444239936 /nfs/dbraw/zinc/23/99/36/444239936.db2.gz UYGUYBBBZCYWRZ-SFHVURJKSA-N 2 1 347.503 1.730 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C[C@H](C)O)C(C)C)CC1 ZINC000304010360 444239937 /nfs/dbraw/zinc/23/99/37/444239937.db2.gz UYGUYBBBZCYWRZ-SFHVURJKSA-N 2 1 347.503 1.730 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000290100667 444242432 /nfs/dbraw/zinc/24/24/32/444242432.db2.gz WVNUBNPVEKKUBO-GDBMZVCRSA-N 2 1 328.460 1.960 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000290100667 444242433 /nfs/dbraw/zinc/24/24/33/444242433.db2.gz WVNUBNPVEKKUBO-GDBMZVCRSA-N 2 1 328.460 1.960 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000290100667 444242434 /nfs/dbraw/zinc/24/24/34/444242434.db2.gz WVNUBNPVEKKUBO-GDBMZVCRSA-N 2 1 328.460 1.960 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000290100667 444242435 /nfs/dbraw/zinc/24/24/35/444242435.db2.gz WVNUBNPVEKKUBO-GDBMZVCRSA-N 2 1 328.460 1.960 20 0 EDADMP C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000305834720 444282833 /nfs/dbraw/zinc/28/28/33/444282833.db2.gz WFXRQYGWCJODHK-DAYGRLMNSA-N 2 1 340.512 1.251 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000297861374 444342696 /nfs/dbraw/zinc/34/26/96/444342696.db2.gz PYAMCKHTKXWYFX-ROUUACIJSA-N 2 1 348.491 1.435 20 0 EDADMP Cc1c(Cl)c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)nn1C ZINC000578230651 321742752 /nfs/dbraw/zinc/74/27/52/321742752.db2.gz JSSKNOOOWXXRLR-UHFFFAOYSA-N 2 1 348.838 1.781 20 0 EDADMP CCOc1ccc(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000325209063 444363538 /nfs/dbraw/zinc/36/35/38/444363538.db2.gz IDOSLASINFKSGR-UHFFFAOYSA-N 2 1 335.448 1.854 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000331027886 444364765 /nfs/dbraw/zinc/36/47/65/444364765.db2.gz WJBNNGPJOORIDL-OWCLPIDISA-N 2 1 325.497 1.599 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000331218582 444447783 /nfs/dbraw/zinc/44/77/83/444447783.db2.gz HOLWGAMIRJBXBX-CJNGLKHVSA-N 2 1 343.468 1.376 20 0 EDADMP C[C@@H](CNC(=O)NCC1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000580300203 322032841 /nfs/dbraw/zinc/03/28/41/322032841.db2.gz YWWCEVVCPMUKRT-HNNXBMFYSA-N 2 1 330.476 1.732 20 0 EDADMP C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000580300424 322032875 /nfs/dbraw/zinc/03/28/75/322032875.db2.gz KTQSHQPDJBIEHW-YDHLFZDLSA-N 2 1 344.450 1.936 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCN2C(=O)NC3(CCCC3)C2=O)[C@@H]2CCC[C@@H]21 ZINC000580341004 322039669 /nfs/dbraw/zinc/03/96/69/322039669.db2.gz JGJHSVKYNALCJA-KKUMJFAQSA-N 2 1 334.464 1.313 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)N1CC[NH+](C)CC1 ZINC000580560206 322067745 /nfs/dbraw/zinc/06/77/45/322067745.db2.gz UDMMKTWVYUINGO-KRWDZBQOSA-N 2 1 339.528 1.029 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580655062 322079134 /nfs/dbraw/zinc/07/91/34/322079134.db2.gz DRMYDECACIAILH-UIEBLEIFSA-N 2 1 337.508 1.850 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580655062 322079136 /nfs/dbraw/zinc/07/91/36/322079136.db2.gz DRMYDECACIAILH-UIEBLEIFSA-N 2 1 337.508 1.850 20 0 EDADMP O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000581058323 322129757 /nfs/dbraw/zinc/12/97/57/322129757.db2.gz SGFAWRGFHLBMHT-MOPGFXCFSA-N 2 1 343.471 1.537 20 0 EDADMP O=C(C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000581058323 322129760 /nfs/dbraw/zinc/12/97/60/322129760.db2.gz SGFAWRGFHLBMHT-MOPGFXCFSA-N 2 1 343.471 1.537 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2F)CCCO1 ZINC000581247063 322153949 /nfs/dbraw/zinc/15/39/49/322153949.db2.gz OFAVPPFDLZBGBH-JKSUJKDBSA-N 2 1 340.439 1.656 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC[N@H+]1CC(C)(C)O ZINC000332226033 444505523 /nfs/dbraw/zinc/50/55/23/444505523.db2.gz BYRBOOQMQZAGCL-BZUAXINKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH+]1CC(C)(C)O ZINC000332226033 444505525 /nfs/dbraw/zinc/50/55/25/444505525.db2.gz BYRBOOQMQZAGCL-BZUAXINKSA-N 2 1 338.496 1.100 20 0 EDADMP Cc1ccc(NC[C@H](O)C[N@@H+](C)C2CC2)cc1NC(=O)CC[NH+](C)C ZINC000581939660 322235264 /nfs/dbraw/zinc/23/52/64/322235264.db2.gz SKPOZGMTHLWEPX-KRWDZBQOSA-N 2 1 348.491 1.752 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342131473 444525285 /nfs/dbraw/zinc/52/52/85/444525285.db2.gz HXNVGYTZCDGGEG-RNIPGJKVSA-N 2 1 345.487 1.938 20 0 EDADMP CC(C)COC[C@@H](O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343707964 444534617 /nfs/dbraw/zinc/53/46/17/444534617.db2.gz CAPJPEOVQJBDRR-WMZOPIPTSA-N 2 1 327.513 1.120 20 0 EDADMP Cc1c[nH+]cn1C1CCN(C(=O)C2(N3CCOCC3)CCC2)CC1 ZINC000329378508 444556376 /nfs/dbraw/zinc/55/63/76/444556376.db2.gz MOPZTDIIMLOSPN-UHFFFAOYSA-N 2 1 332.448 1.610 20 0 EDADMP C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000342158177 444539423 /nfs/dbraw/zinc/53/94/23/444539423.db2.gz GZOHABVHAVLKSR-KRWDZBQOSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H]1CN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@H+]1CCO ZINC000342171931 444546929 /nfs/dbraw/zinc/54/69/29/444546929.db2.gz RHAXSGQQXMXNCH-ICSRJNTNSA-N 2 1 347.503 1.276 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1cccs1 ZINC000343779245 444586035 /nfs/dbraw/zinc/58/60/35/444586035.db2.gz ZKHTZLSHVSYDAI-GSPSYOTPSA-N 2 1 335.473 1.282 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000338255350 444591471 /nfs/dbraw/zinc/59/14/71/444591471.db2.gz SORWLJLTEBNDCG-SCTDSRPQSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCOC[C@@H](C)C1 ZINC000338255350 444591474 /nfs/dbraw/zinc/59/14/74/444591474.db2.gz SORWLJLTEBNDCG-SCTDSRPQSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOC[C@@H](C)C1 ZINC000338255350 444591478 /nfs/dbraw/zinc/59/14/78/444591478.db2.gz SORWLJLTEBNDCG-SCTDSRPQSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOC[C@@H](C)C1 ZINC000338255350 444591482 /nfs/dbraw/zinc/59/14/82/444591482.db2.gz SORWLJLTEBNDCG-SCTDSRPQSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCC[N@H+]1C ZINC000343823105 444611827 /nfs/dbraw/zinc/61/18/27/444611827.db2.gz SZWWIACZCNBNGC-HLLBOEOZSA-N 2 1 338.496 1.269 20 0 EDADMP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000343831559 444616378 /nfs/dbraw/zinc/61/63/78/444616378.db2.gz YDPYPWCHYBLOSJ-NLWGTHIKSA-N 2 1 346.471 1.897 20 0 EDADMP COC(=O)[C@](C)(O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000343831559 444616383 /nfs/dbraw/zinc/61/63/83/444616383.db2.gz YDPYPWCHYBLOSJ-NLWGTHIKSA-N 2 1 346.471 1.897 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000343831559 444616386 /nfs/dbraw/zinc/61/63/86/444616386.db2.gz YDPYPWCHYBLOSJ-NLWGTHIKSA-N 2 1 346.471 1.897 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000343831559 444616390 /nfs/dbraw/zinc/61/63/90/444616390.db2.gz YDPYPWCHYBLOSJ-NLWGTHIKSA-N 2 1 346.471 1.897 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCc3sccc3C2)CCC[N@@H+]1C ZINC000343899512 444654832 /nfs/dbraw/zinc/65/48/32/444654832.db2.gz YWBDLAJSPHKOIH-HIFRSBDPSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCc3sccc3C2)CCC[N@H+]1C ZINC000343899512 444654837 /nfs/dbraw/zinc/65/48/37/444654837.db2.gz YWBDLAJSPHKOIH-HIFRSBDPSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)CCC[NH+]1C ZINC000343899512 444654843 /nfs/dbraw/zinc/65/48/43/444654843.db2.gz YWBDLAJSPHKOIH-HIFRSBDPSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)CCC[NH+]1C ZINC000343899512 444654847 /nfs/dbraw/zinc/65/48/47/444654847.db2.gz YWBDLAJSPHKOIH-HIFRSBDPSA-N 2 1 336.505 1.888 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000341108496 444678390 /nfs/dbraw/zinc/67/83/90/444678390.db2.gz IVWMVUINRIVHNE-UHFFFAOYSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)COC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343876983 444640843 /nfs/dbraw/zinc/64/08/43/444640843.db2.gz WQQSEFCLCCANKM-IKGGRYGDSA-N 2 1 327.513 1.120 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCN2CCOC[C@H]2C)C1 ZINC000341123076 444684837 /nfs/dbraw/zinc/68/48/37/444684837.db2.gz KRFPNSFJDZMHRP-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344040537 444744087 /nfs/dbraw/zinc/74/40/87/444744087.db2.gz VFALQLGXUMNJTA-KRWDZBQOSA-N 2 1 326.529 1.593 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@H](O)Cc1ccccc1 ZINC000344134933 444800041 /nfs/dbraw/zinc/80/00/41/444800041.db2.gz RKIWDUOYGFYREL-HXUWFJFHSA-N 2 1 333.520 1.940 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(=O)NCc1ccco1 ZINC000344135021 444800764 /nfs/dbraw/zinc/80/07/64/444800764.db2.gz RWZIWYWJGXFFEP-UHFFFAOYSA-N 2 1 325.372 1.575 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330011407 444810728 /nfs/dbraw/zinc/81/07/28/444810728.db2.gz IWQVPPRYALUREC-SWLSCSKDSA-N 2 1 344.463 1.777 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330011407 444810730 /nfs/dbraw/zinc/81/07/30/444810730.db2.gz IWQVPPRYALUREC-SWLSCSKDSA-N 2 1 344.463 1.777 20 0 EDADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000342714716 444829858 /nfs/dbraw/zinc/82/98/58/444829858.db2.gz BXCHHXUIFAUXAC-UHFFFAOYSA-N 2 1 336.505 1.910 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000342772857 444859950 /nfs/dbraw/zinc/85/99/50/444859950.db2.gz BDEVCZKHBHXBJE-NXHRZFHOSA-N 2 1 335.492 1.715 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC1CC[NH+](CCCC(=O)OC)CC1 ZINC000342785590 444866394 /nfs/dbraw/zinc/86/63/94/444866394.db2.gz RTQXNZHIANONHM-KRWDZBQOSA-N 2 1 325.497 1.868 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC1CC[NH+](CCCC(=O)OC)CC1 ZINC000342785590 444866400 /nfs/dbraw/zinc/86/64/00/444866400.db2.gz RTQXNZHIANONHM-KRWDZBQOSA-N 2 1 325.497 1.868 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CCC[N@@H+]1C ZINC000344285365 444880094 /nfs/dbraw/zinc/88/00/94/444880094.db2.gz KFBYTHZDAKWRDC-ZBFHGGJFSA-N 2 1 333.480 1.867 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CCC[N@H+]1C ZINC000344285365 444880097 /nfs/dbraw/zinc/88/00/97/444880097.db2.gz KFBYTHZDAKWRDC-ZBFHGGJFSA-N 2 1 333.480 1.867 20 0 EDADMP C[NH+]1CCC(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000344395540 444938878 /nfs/dbraw/zinc/93/88/78/444938878.db2.gz GIMNEFGDTXANER-UHFFFAOYSA-N 2 1 331.460 1.477 20 0 EDADMP CC(=O)NC1CCC([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000337312234 445027437 /nfs/dbraw/zinc/02/74/37/445027437.db2.gz DVEFLZHXHGWFAG-UHFFFAOYSA-N 2 1 338.540 1.782 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000341759594 444988261 /nfs/dbraw/zinc/98/82/61/444988261.db2.gz HWMPFAUTWKBISP-MAUKXSAKSA-N 2 1 348.466 1.262 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000341759594 444988266 /nfs/dbraw/zinc/98/82/66/444988266.db2.gz HWMPFAUTWKBISP-MAUKXSAKSA-N 2 1 348.466 1.262 20 0 EDADMP COCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCO[C@@H]1C ZINC000337380141 445055735 /nfs/dbraw/zinc/05/57/35/445055735.db2.gz YEZPWPYLUVWSJV-MSOLQXFVSA-N 2 1 327.513 1.528 20 0 EDADMP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000343093545 445059168 /nfs/dbraw/zinc/05/91/68/445059168.db2.gz XOISNJXNPZJUFN-LJQANCHMSA-N 2 1 342.487 1.111 20 0 EDADMP O=C([C@H]1C[NH+]2CCN1CCC2)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000343093545 445059173 /nfs/dbraw/zinc/05/91/73/445059173.db2.gz XOISNJXNPZJUFN-LJQANCHMSA-N 2 1 342.487 1.111 20 0 EDADMP O=C([C@H]1C[NH+]2CCN1CCC2)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000343093545 445059178 /nfs/dbraw/zinc/05/91/78/445059178.db2.gz XOISNJXNPZJUFN-LJQANCHMSA-N 2 1 342.487 1.111 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N(C)C[C@H]2C[C@@H](OC)C[NH+]2C)C1 ZINC000344530136 445037877 /nfs/dbraw/zinc/03/78/77/445037877.db2.gz YDSGPLOQJGQCEX-BZUAXINKSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N(C)C[C@H]2C[C@@H](OC)C[N@@H+]2C)C1 ZINC000344530136 445037880 /nfs/dbraw/zinc/03/78/80/445037880.db2.gz YDSGPLOQJGQCEX-BZUAXINKSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N(C)C[C@H]2C[C@@H](OC)C[N@H+]2C)C1 ZINC000344530136 445037885 /nfs/dbraw/zinc/03/78/85/445037885.db2.gz YDSGPLOQJGQCEX-BZUAXINKSA-N 2 1 326.485 1.079 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000345548620 445190446 /nfs/dbraw/zinc/19/04/46/445190446.db2.gz DWLOPMVSVBWNMY-JQHSSLGASA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000345548620 445190447 /nfs/dbraw/zinc/19/04/47/445190447.db2.gz DWLOPMVSVBWNMY-JQHSSLGASA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000345548620 445190448 /nfs/dbraw/zinc/19/04/48/445190448.db2.gz DWLOPMVSVBWNMY-JQHSSLGASA-N 2 1 335.492 1.573 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](C)CC2)C[C@@H](C)O1 ZINC000339598612 445151788 /nfs/dbraw/zinc/15/17/88/445151788.db2.gz MIUFPXLFNCSYIL-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](C)CC2)C[C@@H](C)O1 ZINC000339598612 445151793 /nfs/dbraw/zinc/15/17/93/445151793.db2.gz MIUFPXLFNCSYIL-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CCC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000339654072 445158432 /nfs/dbraw/zinc/15/84/32/445158432.db2.gz OXLANHWOMROPKZ-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CCC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000339654072 445158436 /nfs/dbraw/zinc/15/84/36/445158436.db2.gz OXLANHWOMROPKZ-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP COC(=O)c1ccc(N2CC[N@H+](C[C@H]3CCC[NH2+]C3)[C@@H](C)C2)cc1 ZINC000346844017 445226415 /nfs/dbraw/zinc/22/64/15/445226415.db2.gz KNFCVXFRZFECIQ-HOTGVXAUSA-N 2 1 331.460 1.983 20 0 EDADMP COC(=O)c1ccc(N2CC[N@@H+](C[C@H]3CCC[NH2+]C3)[C@@H](C)C2)cc1 ZINC000346844017 445226418 /nfs/dbraw/zinc/22/64/18/445226418.db2.gz KNFCVXFRZFECIQ-HOTGVXAUSA-N 2 1 331.460 1.983 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC000343486197 445232240 /nfs/dbraw/zinc/23/22/40/445232240.db2.gz XHQVSINRWVNUHO-YMTOWFKASA-N 2 1 332.429 1.606 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000347686787 445245028 /nfs/dbraw/zinc/24/50/28/445245028.db2.gz ACRPRFXYFYNWGY-JKSUJKDBSA-N 2 1 325.497 1.581 20 0 EDADMP Cc1nc(CN2C[C@H](F)C[C@H]2C[N@H+](C)CCn2cc[nH+]c2C)no1 ZINC000348184427 445308643 /nfs/dbraw/zinc/30/86/43/445308643.db2.gz WXBOWXBXMGSRKQ-CABCVRRESA-N 2 1 336.415 1.427 20 0 EDADMP Cc1nc(CN2C[C@H](F)C[C@H]2C[N@@H+](C)CCn2cc[nH+]c2C)no1 ZINC000348184427 445308644 /nfs/dbraw/zinc/30/86/44/445308644.db2.gz WXBOWXBXMGSRKQ-CABCVRRESA-N 2 1 336.415 1.427 20 0 EDADMP CC[C@H](C(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[NH+](CC)CC ZINC000354510911 445271273 /nfs/dbraw/zinc/27/12/73/445271273.db2.gz MMUJNSNQPAWRBH-MRXNPFEDSA-N 2 1 326.529 1.639 20 0 EDADMP CC[C@@H]([NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C(C)(C)C ZINC000343631173 445271520 /nfs/dbraw/zinc/27/15/20/445271520.db2.gz NKWBFSYMTOYPHV-HZPDHXFCSA-N 2 1 327.513 1.874 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N2C[C@@H](OC)C[C@@H]2C[NH+]2CCCC2)C1 ZINC000348108188 445271646 /nfs/dbraw/zinc/27/16/46/445271646.db2.gz JUNLBTGBXCYLAA-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000354531591 445282868 /nfs/dbraw/zinc/28/28/68/445282868.db2.gz ZNDNPTCIEXADOV-HNNXBMFYSA-N 2 1 348.491 1.574 20 0 EDADMP c1[nH+]c(NC2CC[NH+](CCN3CCOCC3)CC2)cc2c1CCC2 ZINC000354551652 445291051 /nfs/dbraw/zinc/29/10/51/445291051.db2.gz ZVVBJTHLODLLCX-UHFFFAOYSA-N 2 1 330.476 1.779 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@H](C)[C@H](O)C3)CC2)cc1 ZINC000351812189 445330642 /nfs/dbraw/zinc/33/06/42/445330642.db2.gz PBERSZCWHQJCOF-PKOBYXMFSA-N 2 1 345.487 1.342 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H](C)[C@H](O)C3)CC2)cc1 ZINC000351812189 445330645 /nfs/dbraw/zinc/33/06/45/445330645.db2.gz PBERSZCWHQJCOF-PKOBYXMFSA-N 2 1 345.487 1.342 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H](C)[C@H](O)C3)CC2)cc1 ZINC000351812189 445330647 /nfs/dbraw/zinc/33/06/47/445330647.db2.gz PBERSZCWHQJCOF-PKOBYXMFSA-N 2 1 345.487 1.342 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000354682633 445339432 /nfs/dbraw/zinc/33/94/32/445339432.db2.gz VLNSYUMZIHFOMA-QGZVFWFLSA-N 2 1 346.475 1.013 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000351853170 445343783 /nfs/dbraw/zinc/34/37/83/445343783.db2.gz OBJANMRLDNCJDO-FUHWJXTLSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000351853170 445343785 /nfs/dbraw/zinc/34/37/85/445343785.db2.gz OBJANMRLDNCJDO-FUHWJXTLSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000351858442 445345244 /nfs/dbraw/zinc/34/52/44/445345244.db2.gz DFGWPUVFIUOFAT-STQMWFEESA-N 2 1 332.473 1.624 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000351858442 445345247 /nfs/dbraw/zinc/34/52/47/445345247.db2.gz DFGWPUVFIUOFAT-STQMWFEESA-N 2 1 332.473 1.624 20 0 EDADMP C[C@H]1C[N@H+](CCOCC[NH3+])CCN1C(=O)Cc1cccc(Cl)c1 ZINC000357066128 445404639 /nfs/dbraw/zinc/40/46/39/445404639.db2.gz BIZZVHZJSIPZKL-AWEZNQCLSA-N 2 1 339.867 1.391 20 0 EDADMP C[C@H]1C[N@@H+](CCOCC[NH3+])CCN1C(=O)Cc1cccc(Cl)c1 ZINC000357066128 445404645 /nfs/dbraw/zinc/40/46/45/445404645.db2.gz BIZZVHZJSIPZKL-AWEZNQCLSA-N 2 1 339.867 1.391 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000362494673 445411775 /nfs/dbraw/zinc/41/17/75/445411775.db2.gz OQQRPBIQVJRHCS-HNNXBMFYSA-N 2 1 328.526 1.312 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000362494673 445411778 /nfs/dbraw/zinc/41/17/78/445411778.db2.gz OQQRPBIQVJRHCS-HNNXBMFYSA-N 2 1 328.526 1.312 20 0 EDADMP COC1(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCCCC1 ZINC000359723328 445393467 /nfs/dbraw/zinc/39/34/67/445393467.db2.gz RXQXECVEDABOEV-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP COC1(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCCCC1 ZINC000359723328 445393472 /nfs/dbraw/zinc/39/34/72/445393472.db2.gz RXQXECVEDABOEV-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCOC(C)(C)C1 ZINC000351950599 445394801 /nfs/dbraw/zinc/39/48/01/445394801.db2.gz WOOAPGUPBNXWOF-INIZCTEOSA-N 2 1 325.497 1.866 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CCOC2C[NH2+]C2)cc1F ZINC000349028402 445480139 /nfs/dbraw/zinc/48/01/39/445480139.db2.gz ORIQENSIXYEMFD-UHFFFAOYSA-N 2 1 332.379 1.315 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000355588247 445469682 /nfs/dbraw/zinc/46/96/82/445469682.db2.gz MBTFUIUFQBZMIB-IXDOHACOSA-N 2 1 345.491 1.245 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CCCC2)CC1 ZINC000362760428 445536395 /nfs/dbraw/zinc/53/63/95/445536395.db2.gz QXBNFLYNBFICAH-WBVHZDCISA-N 2 1 337.508 1.724 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CN2CCCC[C@H]2CO1 ZINC000362709792 445512618 /nfs/dbraw/zinc/51/26/18/445512618.db2.gz GCGNYRYUFFOOTJ-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000362709792 445512623 /nfs/dbraw/zinc/51/26/23/445512623.db2.gz GCGNYRYUFFOOTJ-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000362709792 445512628 /nfs/dbraw/zinc/51/26/28/445512628.db2.gz GCGNYRYUFFOOTJ-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362709792 445512631 /nfs/dbraw/zinc/51/26/31/445512631.db2.gz GCGNYRYUFFOOTJ-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362709792 445512636 /nfs/dbraw/zinc/51/26/36/445512636.db2.gz GCGNYRYUFFOOTJ-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000352114917 445501782 /nfs/dbraw/zinc/50/17/82/445501782.db2.gz FGCDBYCBKYSBRQ-VDZJLULYSA-N 2 1 349.523 1.190 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000352114917 445501784 /nfs/dbraw/zinc/50/17/84/445501784.db2.gz FGCDBYCBKYSBRQ-VDZJLULYSA-N 2 1 349.523 1.190 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000352114917 445501788 /nfs/dbraw/zinc/50/17/88/445501788.db2.gz FGCDBYCBKYSBRQ-VDZJLULYSA-N 2 1 349.523 1.190 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H](N2CCOCC2)[C@@H]1C ZINC000357760504 445580462 /nfs/dbraw/zinc/58/04/62/445580462.db2.gz LBMIXEHVXBXSKB-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000357760504 445580465 /nfs/dbraw/zinc/58/04/65/445580465.db2.gz LBMIXEHVXBXSKB-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000357760504 445580469 /nfs/dbraw/zinc/58/04/69/445580469.db2.gz LBMIXEHVXBXSKB-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000360125648 445581876 /nfs/dbraw/zinc/58/18/76/445581876.db2.gz QBMGPOYGBMPJEH-HUUCEWRRSA-N 2 1 328.501 1.202 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000360125648 445581877 /nfs/dbraw/zinc/58/18/77/445581877.db2.gz QBMGPOYGBMPJEH-HUUCEWRRSA-N 2 1 328.501 1.202 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000360125648 445581878 /nfs/dbraw/zinc/58/18/78/445581878.db2.gz QBMGPOYGBMPJEH-HUUCEWRRSA-N 2 1 328.501 1.202 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000360164337 445604386 /nfs/dbraw/zinc/60/43/86/445604386.db2.gz SCTKKTPVOJOJSW-IYBDPMFKSA-N 2 1 340.512 1.214 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000360164337 445604390 /nfs/dbraw/zinc/60/43/90/445604390.db2.gz SCTKKTPVOJOJSW-IYBDPMFKSA-N 2 1 340.512 1.214 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000360164337 445604393 /nfs/dbraw/zinc/60/43/93/445604393.db2.gz SCTKKTPVOJOJSW-IYBDPMFKSA-N 2 1 340.512 1.214 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1CC)[NH+]1CCOCC1 ZINC000353466812 445614865 /nfs/dbraw/zinc/61/48/65/445614865.db2.gz JNZPSGZHSGVTPZ-ULQDDVLXSA-N 2 1 325.497 1.628 20 0 EDADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NCCN1CCc2ccccc21 ZINC000358520535 445630542 /nfs/dbraw/zinc/63/05/42/445630542.db2.gz VUTQKEIQGBGMRI-UHFFFAOYSA-N 2 1 342.487 1.241 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(C)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000353500544 445631628 /nfs/dbraw/zinc/63/16/28/445631628.db2.gz LIZRZMNSBFHUIU-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000353500544 445631632 /nfs/dbraw/zinc/63/16/32/445631632.db2.gz LIZRZMNSBFHUIU-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000358532420 445637920 /nfs/dbraw/zinc/63/79/20/445637920.db2.gz INVHAQZPEBGIJT-INIZCTEOSA-N 2 1 325.497 1.414 20 0 EDADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000358534026 445638790 /nfs/dbraw/zinc/63/87/90/445638790.db2.gz KADHGDKYEMDJFZ-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000362878418 445593274 /nfs/dbraw/zinc/59/32/74/445593274.db2.gz VWTFWVHTTHVRKU-KDOFPFPSSA-N 2 1 331.460 1.780 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C)C[NH+]1CCCC1 ZINC000357968150 445596730 /nfs/dbraw/zinc/59/67/30/445596730.db2.gz CIBALMSDXBHVHT-IKGGRYGDSA-N 2 1 338.496 1.223 20 0 EDADMP COc1cc(C)c(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c(C)n1 ZINC000353664193 445698023 /nfs/dbraw/zinc/69/80/23/445698023.db2.gz GEEZPDBLVWEWMR-UHFFFAOYSA-N 2 1 348.491 1.789 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C1 ZINC000363158719 445701372 /nfs/dbraw/zinc/70/13/72/445701372.db2.gz DAIABRACHZNPFS-WBVHZDCISA-N 2 1 332.448 1.193 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C1 ZINC000363158719 445701377 /nfs/dbraw/zinc/70/13/77/445701377.db2.gz DAIABRACHZNPFS-WBVHZDCISA-N 2 1 332.448 1.193 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000363158719 445701380 /nfs/dbraw/zinc/70/13/80/445701380.db2.gz DAIABRACHZNPFS-WBVHZDCISA-N 2 1 332.448 1.193 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000363158719 445701383 /nfs/dbraw/zinc/70/13/83/445701383.db2.gz DAIABRACHZNPFS-WBVHZDCISA-N 2 1 332.448 1.193 20 0 EDADMP Cc1ccn2c(C[NH2+]CC(=O)NCC[NH+]3CCCCCC3)cnc2c1 ZINC000353674323 445702405 /nfs/dbraw/zinc/70/24/05/445702405.db2.gz UPNZESAOUNHMRY-UHFFFAOYSA-N 2 1 343.475 1.725 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[NH+](CCCOC)CC2)C1 ZINC000363252061 445741068 /nfs/dbraw/zinc/74/10/68/445741068.db2.gz OOOQJMBFDFMUJU-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@H+](CCCOC)CC2)C1 ZINC000363252061 445741070 /nfs/dbraw/zinc/74/10/70/445741070.db2.gz OOOQJMBFDFMUJU-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@@H+](CCCOC)CC2)C1 ZINC000363252061 445741072 /nfs/dbraw/zinc/74/10/72/445741072.db2.gz OOOQJMBFDFMUJU-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000353779740 445751387 /nfs/dbraw/zinc/75/13/87/445751387.db2.gz RBRGIKRHKPYFLV-ZWKOTPCHSA-N 2 1 346.519 1.649 20 0 EDADMP CC1(C)CN(CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CCO1 ZINC000363302954 445757904 /nfs/dbraw/zinc/75/79/04/445757904.db2.gz MUHJOMDVBNPKBC-QGZVFWFLSA-N 2 1 346.475 1.273 20 0 EDADMP CC1(C)CN(CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CCO1 ZINC000363302954 445757908 /nfs/dbraw/zinc/75/79/08/445757908.db2.gz MUHJOMDVBNPKBC-QGZVFWFLSA-N 2 1 346.475 1.273 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH+]2CCCCCC2)C1 ZINC000361469761 445774849 /nfs/dbraw/zinc/77/48/49/445774849.db2.gz NKZFCLUVFBWAIO-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)cn1 ZINC000353806100 445765038 /nfs/dbraw/zinc/76/50/38/445765038.db2.gz HFYPORGCEIQZQH-ZWKOTPCHSA-N 2 1 345.491 1.090 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)cn1 ZINC000353806100 445765041 /nfs/dbraw/zinc/76/50/41/445765041.db2.gz HFYPORGCEIQZQH-ZWKOTPCHSA-N 2 1 345.491 1.090 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CCOCC1 ZINC000363322815 445766245 /nfs/dbraw/zinc/76/62/45/445766245.db2.gz MKXGGMOKJUFYJF-KRWDZBQOSA-N 2 1 346.475 1.273 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CCOCC1 ZINC000363322815 445766247 /nfs/dbraw/zinc/76/62/47/445766247.db2.gz MKXGGMOKJUFYJF-KRWDZBQOSA-N 2 1 346.475 1.273 20 0 EDADMP C[N@@H+](C[C@@H](O)Cc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363481547 445822779 /nfs/dbraw/zinc/82/27/79/445822779.db2.gz TUBBSDZEKYPDLE-UXHICEINSA-N 2 1 331.504 1.690 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000350174477 445785611 /nfs/dbraw/zinc/78/56/11/445785611.db2.gz KAQWKUJOJNODIP-ZDUSSCGKSA-N 2 1 349.479 1.697 20 0 EDADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCS(=O)(=O)N(C)C)CC1 ZINC000353864131 445789104 /nfs/dbraw/zinc/78/91/04/445789104.db2.gz ZFZPGMZKQTYVJL-HOCLYGCPSA-N 2 1 331.526 1.511 20 0 EDADMP CC[C@@H](C(=O)NCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000363496327 445832315 /nfs/dbraw/zinc/83/23/15/445832315.db2.gz OMQWHRWIWYXZIR-ROUUACIJSA-N 2 1 332.492 1.432 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C[C@H]1C ZINC000358832334 445799266 /nfs/dbraw/zinc/79/92/66/445799266.db2.gz SIDQGHGFVKWVQW-QLFBSQMISA-N 2 1 340.512 1.020 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C[C@H]1C ZINC000358832334 445799268 /nfs/dbraw/zinc/79/92/68/445799268.db2.gz SIDQGHGFVKWVQW-QLFBSQMISA-N 2 1 340.512 1.020 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2(O)CCOCC2)[C@H](C)C1 ZINC000353904634 445807213 /nfs/dbraw/zinc/80/72/13/445807213.db2.gz AXERHNXGDOQOFX-IAGOWNOFSA-N 2 1 328.497 1.645 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000363448459 445807558 /nfs/dbraw/zinc/80/75/58/445807558.db2.gz YXHIFCATMIDROP-HZPDHXFCSA-N 2 1 325.497 1.674 20 0 EDADMP C[C@H]1C[NH+](CCOC2CC[NH+](CC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000358850411 445809146 /nfs/dbraw/zinc/80/91/46/445809146.db2.gz BCVMPZLNPOLXEP-HOTGVXAUSA-N 2 1 326.481 1.492 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000363459328 445814035 /nfs/dbraw/zinc/81/40/35/445814035.db2.gz KFQNLCQGRVSFFQ-HNNXBMFYSA-N 2 1 326.466 1.082 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000363459328 445814038 /nfs/dbraw/zinc/81/40/38/445814038.db2.gz KFQNLCQGRVSFFQ-HNNXBMFYSA-N 2 1 326.466 1.082 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000358859648 445815519 /nfs/dbraw/zinc/81/55/19/445815519.db2.gz SYJGFKXGNILTLP-DLBZAZTESA-N 2 1 337.439 1.341 20 0 EDADMP C[C@@H]1CN(CC[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CCO1 ZINC000363538124 445849987 /nfs/dbraw/zinc/84/99/87/445849987.db2.gz MOALGXYELXTDPY-BSDSXHPESA-N 2 1 325.497 1.186 20 0 EDADMP CCn1nc(C)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000354041015 445870295 /nfs/dbraw/zinc/87/02/95/445870295.db2.gz QJYISPMMNGCMEG-DNVCBOLYSA-N 2 1 333.524 1.978 20 0 EDADMP CCn1nc(C)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000354041015 445870297 /nfs/dbraw/zinc/87/02/97/445870297.db2.gz QJYISPMMNGCMEG-DNVCBOLYSA-N 2 1 333.524 1.978 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCSCC2)C[C@H]1C ZINC000361782549 445939978 /nfs/dbraw/zinc/93/99/78/445939978.db2.gz AEVYSWRGEYXMCS-CABCVRRESA-N 2 1 328.526 1.549 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCSCC2)C[C@H]1C ZINC000361782549 445939986 /nfs/dbraw/zinc/93/99/86/445939986.db2.gz AEVYSWRGEYXMCS-CABCVRRESA-N 2 1 328.526 1.549 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CN1c1ccccc1F ZINC000582354382 325827205 /nfs/dbraw/zinc/82/72/05/325827205.db2.gz BRCBBKFCXPSCAC-HDEZJCGLSA-N 2 1 347.434 1.678 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(C)c(C)nc1C ZINC000361761237 445922536 /nfs/dbraw/zinc/92/25/36/445922536.db2.gz WSCNBHVDCVYDSF-KRWDZBQOSA-N 2 1 347.507 1.890 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@]1([NH+](C)C)CCc2ccccc21 ZINC000366032795 445972894 /nfs/dbraw/zinc/97/28/94/445972894.db2.gz JZECNUJOFRAPNQ-LXGCGDOSSA-N 2 1 327.472 1.989 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@]1([NH+](C)C)CCc2ccccc21 ZINC000366032795 445972899 /nfs/dbraw/zinc/97/28/99/445972899.db2.gz JZECNUJOFRAPNQ-LXGCGDOSSA-N 2 1 327.472 1.989 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000369210206 445996354 /nfs/dbraw/zinc/99/63/54/445996354.db2.gz UONDFEFEVFINTR-SFHVURJKSA-N 2 1 333.476 1.688 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000361790721 445948912 /nfs/dbraw/zinc/94/89/12/445948912.db2.gz VZYPHNIWGIRTMB-CVEARBPZSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369258527 446026020 /nfs/dbraw/zinc/02/60/20/446026020.db2.gz WKXQIBMRBIOYMM-YVSFHVDLSA-N 2 1 336.524 1.532 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369258527 446026022 /nfs/dbraw/zinc/02/60/22/446026022.db2.gz WKXQIBMRBIOYMM-YVSFHVDLSA-N 2 1 336.524 1.532 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369258527 446026024 /nfs/dbraw/zinc/02/60/24/446026024.db2.gz WKXQIBMRBIOYMM-YVSFHVDLSA-N 2 1 336.524 1.532 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369258527 446026026 /nfs/dbraw/zinc/02/60/26/446026026.db2.gz WKXQIBMRBIOYMM-YVSFHVDLSA-N 2 1 336.524 1.532 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369258527 446026028 /nfs/dbraw/zinc/02/60/28/446026028.db2.gz WKXQIBMRBIOYMM-YVSFHVDLSA-N 2 1 336.524 1.532 20 0 EDADMP COc1cccc(OCC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000369277925 446044598 /nfs/dbraw/zinc/04/45/98/446044598.db2.gz OHRMMSGDBGNFGG-OAHLLOKOSA-N 2 1 347.459 1.359 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000583264315 326038480 /nfs/dbraw/zinc/03/84/80/326038480.db2.gz IHMCHBGUYKTWAZ-CPUCHLNUSA-N 2 1 333.480 1.135 20 0 EDADMP O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000583312054 326046884 /nfs/dbraw/zinc/04/68/84/326046884.db2.gz WANSUCRZOQUJMT-IRXDYDNUSA-N 2 1 338.496 1.272 20 0 EDADMP CC[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000583682319 326116703 /nfs/dbraw/zinc/11/67/03/326116703.db2.gz FBYROSIJYRABSC-ROUUACIJSA-N 2 1 346.475 1.111 20 0 EDADMP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000583743523 326130563 /nfs/dbraw/zinc/13/05/63/326130563.db2.gz UPXBJQQIPWBLBS-WBVHZDCISA-N 2 1 346.475 1.392 20 0 EDADMP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000583743523 326130566 /nfs/dbraw/zinc/13/05/66/326130566.db2.gz UPXBJQQIPWBLBS-WBVHZDCISA-N 2 1 346.475 1.392 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCc2cncn2C1 ZINC000583937476 326169535 /nfs/dbraw/zinc/16/95/35/326169535.db2.gz NWWXXCMUUCKUKS-GJZGRUSLSA-N 2 1 332.448 1.157 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000373148605 446058581 /nfs/dbraw/zinc/05/85/81/446058581.db2.gz XOMZCFPKDCBEMK-OTWHNJEPSA-N 2 1 342.524 1.843 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000373148605 446058585 /nfs/dbraw/zinc/05/85/85/446058585.db2.gz XOMZCFPKDCBEMK-OTWHNJEPSA-N 2 1 342.524 1.843 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCN1CCCN(c2ncccc2C(N)=O)CC1 ZINC000366177131 446063405 /nfs/dbraw/zinc/06/34/05/446063405.db2.gz DJVQVRFZCVBDEC-MRXNPFEDSA-N 2 1 345.491 1.567 20 0 EDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000366177131 446063423 /nfs/dbraw/zinc/06/34/23/446063423.db2.gz DJVQVRFZCVBDEC-MRXNPFEDSA-N 2 1 345.491 1.567 20 0 EDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000366177131 446063426 /nfs/dbraw/zinc/06/34/26/446063426.db2.gz DJVQVRFZCVBDEC-MRXNPFEDSA-N 2 1 345.491 1.567 20 0 EDADMP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351487297 446087233 /nfs/dbraw/zinc/08/72/33/446087233.db2.gz CEVMJROCGBDRIO-XIRDDKMYSA-N 2 1 329.444 1.644 20 0 EDADMP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351487297 446087240 /nfs/dbraw/zinc/08/72/40/446087240.db2.gz CEVMJROCGBDRIO-XIRDDKMYSA-N 2 1 329.444 1.644 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1OC ZINC000351491284 446093823 /nfs/dbraw/zinc/09/38/23/446093823.db2.gz JJGHHKALAONCKH-BPUTZDHNSA-N 2 1 347.459 1.331 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1OC ZINC000351491284 446093828 /nfs/dbraw/zinc/09/38/28/446093828.db2.gz JJGHHKALAONCKH-BPUTZDHNSA-N 2 1 347.459 1.331 20 0 EDADMP CN(CCOCC(F)F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000365292206 446130295 /nfs/dbraw/zinc/13/02/95/446130295.db2.gz KMYFWCMKZALVND-KRWDZBQOSA-N 2 1 328.403 1.837 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C1CC1 ZINC000373262521 446130686 /nfs/dbraw/zinc/13/06/86/446130686.db2.gz XRSOKASWBZFZBN-CABCVRRESA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351564592 446162687 /nfs/dbraw/zinc/16/26/87/446162687.db2.gz SVPLBUKYORFVKB-HOCLYGCPSA-N 2 1 337.489 1.605 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C[C@H]1C ZINC000365374665 446174904 /nfs/dbraw/zinc/17/49/04/446174904.db2.gz BYPZXYHIEFKSFW-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C[C@H]1C ZINC000365374665 446174906 /nfs/dbraw/zinc/17/49/06/446174906.db2.gz BYPZXYHIEFKSFW-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1C ZINC000365374665 446174910 /nfs/dbraw/zinc/17/49/10/446174910.db2.gz BYPZXYHIEFKSFW-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1C ZINC000365374665 446174914 /nfs/dbraw/zinc/17/49/14/446174914.db2.gz BYPZXYHIEFKSFW-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)CC[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000366387691 446186290 /nfs/dbraw/zinc/18/62/90/446186290.db2.gz BWEQGSMRDTZQBH-XHSDSOJGSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H](C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000369681726 446146813 /nfs/dbraw/zinc/14/68/13/446146813.db2.gz PFUOBOYUWNBXDW-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000366327170 446154224 /nfs/dbraw/zinc/15/42/24/446154224.db2.gz SPVGPRAREPVBSH-KZNAEPCWSA-N 2 1 330.476 1.927 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000365339727 446156922 /nfs/dbraw/zinc/15/69/22/446156922.db2.gz MPGBRILSDBYBPQ-DJIMGWMZSA-N 2 1 338.496 1.269 20 0 EDADMP O=C(COc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCC1CC1 ZINC000359472867 446244630 /nfs/dbraw/zinc/24/46/30/446244630.db2.gz MOUFHNGOQRAQQX-CALCHBBNSA-N 2 1 329.444 1.243 20 0 EDADMP O=C(COc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCC1CC1 ZINC000359472867 446244631 /nfs/dbraw/zinc/24/46/31/446244631.db2.gz MOUFHNGOQRAQQX-CALCHBBNSA-N 2 1 329.444 1.243 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)C(=O)OC ZINC000354453631 446215882 /nfs/dbraw/zinc/21/58/82/446215882.db2.gz XVMDOGJHDRSECT-HUUCEWRRSA-N 2 1 327.469 1.060 20 0 EDADMP C[NH+](C)C1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000354454130 446216184 /nfs/dbraw/zinc/21/61/84/446216184.db2.gz KMRQGONCMXZZOT-MRXNPFEDSA-N 2 1 337.414 1.916 20 0 EDADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366479515 446231722 /nfs/dbraw/zinc/23/17/22/446231722.db2.gz HEOLTJUPZPZACX-DLBZAZTESA-N 2 1 343.471 1.739 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366479515 446231724 /nfs/dbraw/zinc/23/17/24/446231724.db2.gz HEOLTJUPZPZACX-DLBZAZTESA-N 2 1 343.471 1.739 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366479515 446231727 /nfs/dbraw/zinc/23/17/27/446231727.db2.gz HEOLTJUPZPZACX-DLBZAZTESA-N 2 1 343.471 1.739 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366479515 446231728 /nfs/dbraw/zinc/23/17/28/446231728.db2.gz HEOLTJUPZPZACX-DLBZAZTESA-N 2 1 343.471 1.739 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)CC1 ZINC000373527229 446249403 /nfs/dbraw/zinc/24/94/03/446249403.db2.gz CCAZIVVJNGTLKB-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](OCC3CC3)C2)CC1 ZINC000373527229 446249405 /nfs/dbraw/zinc/24/94/05/446249405.db2.gz CCAZIVVJNGTLKB-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[C@H](CO)[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000362191706 446253435 /nfs/dbraw/zinc/25/34/35/446253435.db2.gz RDHIGQBJVJSZKF-AEFFLSMTSA-N 2 1 333.476 1.498 20 0 EDADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000370465218 446290075 /nfs/dbraw/zinc/29/00/75/446290075.db2.gz QVZCUOGASDRKGW-YOEHRIQHSA-N 2 1 345.491 1.231 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000370465218 446290082 /nfs/dbraw/zinc/29/00/82/446290082.db2.gz QVZCUOGASDRKGW-YOEHRIQHSA-N 2 1 345.491 1.231 20 0 EDADMP CC1(C)C[C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C(C)(C)O1 ZINC000370616080 446359230 /nfs/dbraw/zinc/35/92/30/446359230.db2.gz NOYFZNUCYZQFPJ-JKSUJKDBSA-N 2 1 325.497 1.329 20 0 EDADMP COC[C@]1(CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000417547969 446363524 /nfs/dbraw/zinc/36/35/24/446363524.db2.gz HNXJPEORFOYBPF-DOTOQJQBSA-N 2 1 326.485 1.175 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])C2CC2)[C@H](C)C1 ZINC000417666494 446369924 /nfs/dbraw/zinc/36/99/24/446369924.db2.gz CXUHTWJDDIQIAK-BMFZPTHFSA-N 2 1 326.485 1.160 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC000370668975 446378994 /nfs/dbraw/zinc/37/89/94/446378994.db2.gz CBWNONHTMZEOHE-HYVNUMGLSA-N 2 1 335.448 1.375 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC000370668975 446379000 /nfs/dbraw/zinc/37/90/00/446379000.db2.gz CBWNONHTMZEOHE-HYVNUMGLSA-N 2 1 335.448 1.375 20 0 EDADMP CC[NH2+]CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418067791 446430071 /nfs/dbraw/zinc/43/00/71/446430071.db2.gz BZTUWQLOALKEQC-QGZVFWFLSA-N 2 1 334.464 1.186 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC000370777834 446434683 /nfs/dbraw/zinc/43/46/83/446434683.db2.gz CLKZFOFWEMMIRI-UHFFFAOYSA-N 2 1 334.468 1.069 20 0 EDADMP COc1ccc([C@H](N[C@H]2CCC[N@@H+](CCCO)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423147755 446440760 /nfs/dbraw/zinc/44/07/60/446440760.db2.gz SSBXDLGRBJOOSD-SXLOBPIMSA-N 2 1 347.503 1.925 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[C@@H]1c1cccs1 ZINC000370785215 446441304 /nfs/dbraw/zinc/44/13/04/446441304.db2.gz CSKXYACBFSMXJT-XJKCOSOUSA-N 2 1 339.530 1.952 20 0 EDADMP O=C([C@@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1)N1CC[NH2+]CC1 ZINC000420281263 446448013 /nfs/dbraw/zinc/44/80/13/446448013.db2.gz ABYXQOHIQHSNDJ-HUUCEWRRSA-N 2 1 329.435 1.956 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374829817 446410017 /nfs/dbraw/zinc/41/00/17/446410017.db2.gz VNTDUXHEFPBWKH-AEFFLSMTSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374829817 446410021 /nfs/dbraw/zinc/41/00/21/446410021.db2.gz VNTDUXHEFPBWKH-AEFFLSMTSA-N 2 1 330.476 1.854 20 0 EDADMP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)n1 ZINC000411145989 446410036 /nfs/dbraw/zinc/41/00/36/446410036.db2.gz DGTISEFYLHRDPA-GJZGRUSLSA-N 2 1 330.432 1.688 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000417997823 446411322 /nfs/dbraw/zinc/41/13/22/446411322.db2.gz GKMKDNPFKQFCLW-UAGQMJEPSA-N 2 1 346.475 1.834 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000417997823 446411327 /nfs/dbraw/zinc/41/13/27/446411327.db2.gz GKMKDNPFKQFCLW-UAGQMJEPSA-N 2 1 346.475 1.834 20 0 EDADMP C[C@H](NC(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418012645 446415722 /nfs/dbraw/zinc/41/57/22/446415722.db2.gz SJLMYSWHAQGMDP-QGTPRVQTSA-N 2 1 330.476 1.934 20 0 EDADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418043897 446423287 /nfs/dbraw/zinc/42/32/87/446423287.db2.gz ZGKQZNGZBNRLAY-ZWKOTPCHSA-N 2 1 348.491 1.431 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423217729 446456321 /nfs/dbraw/zinc/45/63/21/446456321.db2.gz ULTJKIADDCSERL-UONOGXRCSA-N 2 1 325.478 1.601 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000420296667 446460295 /nfs/dbraw/zinc/46/02/95/446460295.db2.gz XNVAECXVLSPALB-CYBMUJFWSA-N 2 1 335.448 1.395 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000420296667 446460301 /nfs/dbraw/zinc/46/03/01/446460301.db2.gz XNVAECXVLSPALB-CYBMUJFWSA-N 2 1 335.448 1.395 20 0 EDADMP O=C1[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCN1Cc1ccc(F)cc1F ZINC000420310563 446473626 /nfs/dbraw/zinc/47/36/26/446473626.db2.gz MIQZGFHLVRJIJH-VBQJREDUSA-N 2 1 335.398 1.607 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2cn(CCCC[NH3+])nn2)c1 ZINC000423364152 446502313 /nfs/dbraw/zinc/50/23/13/446502313.db2.gz YZGYGGJYGMJRMY-UHFFFAOYSA-N 2 1 344.463 1.399 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000423390719 446514264 /nfs/dbraw/zinc/51/42/64/446514264.db2.gz MRPBAHWKECFNQW-XIRDDKMYSA-N 2 1 347.459 1.388 20 0 EDADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328829 446497364 /nfs/dbraw/zinc/49/73/64/446497364.db2.gz NBSGFHZBXDSUGH-FUHWJXTLSA-N 2 1 345.487 1.893 20 0 EDADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328829 446497371 /nfs/dbraw/zinc/49/73/71/446497371.db2.gz NBSGFHZBXDSUGH-FUHWJXTLSA-N 2 1 345.487 1.893 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420329069 446497594 /nfs/dbraw/zinc/49/75/94/446497594.db2.gz GAJDHHUBZZUMTJ-GASCZTMLSA-N 2 1 330.432 1.046 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000423354782 446498054 /nfs/dbraw/zinc/49/80/54/446498054.db2.gz GXLLJYPNWAYNJI-UIBIWLFHSA-N 2 1 339.524 1.954 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCc1cc(F)cc(F)c1 ZINC000420329724 446499168 /nfs/dbraw/zinc/49/91/68/446499168.db2.gz OVOOHIXTJXLLGX-HUUCEWRRSA-N 2 1 337.414 1.903 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)COC2CC[NH2+]CC2)C1 ZINC000423410559 446522186 /nfs/dbraw/zinc/52/21/86/446522186.db2.gz SCQKODZGCHZUAE-HNNXBMFYSA-N 2 1 325.497 1.772 20 0 EDADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349097 446524757 /nfs/dbraw/zinc/52/47/57/446524757.db2.gz NSJPYDXCZNRPDA-KSZLIROESA-N 2 1 344.503 1.540 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418391576 446525733 /nfs/dbraw/zinc/52/57/33/446525733.db2.gz CCCBFGJTRKUPRU-QAPCUYQASA-N 2 1 330.476 1.887 20 0 EDADMP C[C@H](CNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420349518 446525779 /nfs/dbraw/zinc/52/57/79/446525779.db2.gz PIXSAAHHCNJFTL-AOIWGVFYSA-N 2 1 344.503 1.274 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418400623 446529537 /nfs/dbraw/zinc/52/95/37/446529537.db2.gz YCEUYMSTIZBHEV-OAGGEKHMSA-N 2 1 340.512 1.373 20 0 EDADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000420351100 446530492 /nfs/dbraw/zinc/53/04/92/446530492.db2.gz VWISWNYRCXBRMO-PKOBYXMFSA-N 2 1 342.487 1.160 20 0 EDADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000420351100 446530497 /nfs/dbraw/zinc/53/04/97/446530497.db2.gz VWISWNYRCXBRMO-PKOBYXMFSA-N 2 1 342.487 1.160 20 0 EDADMP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352221 446531192 /nfs/dbraw/zinc/53/11/92/446531192.db2.gz ZEILGZIWJJKMQY-PKOBYXMFSA-N 2 1 344.503 1.022 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[NH3+] ZINC000418413409 446534538 /nfs/dbraw/zinc/53/45/38/446534538.db2.gz JKXVCCUSRRMOEW-MRXNPFEDSA-N 2 1 333.480 1.815 20 0 EDADMP [NH3+]C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000420355089 446535030 /nfs/dbraw/zinc/53/50/30/446535030.db2.gz BPZXYRIQDNGGBL-INIZCTEOSA-N 2 1 325.478 1.462 20 0 EDADMP CCC[C@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000418421806 446538887 /nfs/dbraw/zinc/53/88/87/446538887.db2.gz CXPCNPFDFCRBGG-ZWKOTPCHSA-N 2 1 348.491 1.829 20 0 EDADMP CC(C)[C@H](CNC(=O)c1ccccc1C[NH+](C)C)[NH+]1CCOCC1 ZINC000433222733 446548753 /nfs/dbraw/zinc/54/87/53/446548753.db2.gz WQQSWAPYKLEBHJ-SFHVURJKSA-N 2 1 333.476 1.835 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000423475854 446550593 /nfs/dbraw/zinc/55/05/93/446550593.db2.gz KQUCUCLWMWZFOZ-DGCLKSJQSA-N 2 1 347.431 1.954 20 0 EDADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000423480354 446552223 /nfs/dbraw/zinc/55/22/23/446552223.db2.gz VUCVCDDZTDQGQA-MDNKFWRPSA-N 3 1 347.478 1.875 20 0 EDADMP C[C@H]([NH2+]CCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(=O)[nH]n1 ZINC000367520290 446557576 /nfs/dbraw/zinc/55/75/76/446557576.db2.gz VFVJRXWPBYNAQP-YJBOKZPZSA-N 2 1 341.459 1.822 20 0 EDADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(=O)[nH]n1 ZINC000367520290 446557580 /nfs/dbraw/zinc/55/75/80/446557580.db2.gz VFVJRXWPBYNAQP-YJBOKZPZSA-N 2 1 341.459 1.822 20 0 EDADMP COc1ccccc1OCC[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420392950 446569215 /nfs/dbraw/zinc/56/92/15/446569215.db2.gz WRQWSDGRJJEHTE-CVEARBPZSA-N 2 1 332.444 1.774 20 0 EDADMP Cc1ccc(F)c(N2CCC[C@H]([NH+]3CCC(O)(C[NH3+])CC3)C2=O)c1 ZINC000420401958 446575135 /nfs/dbraw/zinc/57/51/35/446575135.db2.gz HHLMCEXMQSBWJB-HNNXBMFYSA-N 2 1 335.423 1.415 20 0 EDADMP C[C@H](CN1CCOCC1)NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000371089489 446620470 /nfs/dbraw/zinc/62/04/70/446620470.db2.gz UDLVCCKXTDXNSX-PBHICJAKSA-N 2 1 332.448 1.193 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1 ZINC000423572430 446581123 /nfs/dbraw/zinc/58/11/23/446581123.db2.gz XFCLURITIHLNRG-MRXNPFEDSA-N 2 1 332.448 1.287 20 0 EDADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)C2)nc(C)[nH+]1 ZINC000367767311 446587259 /nfs/dbraw/zinc/58/72/59/446587259.db2.gz KRFGGDBEONTLSG-GXTWGEPZSA-N 2 1 326.466 1.085 20 0 EDADMP C[C@H](CN1CCOCC1)NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371089489 446620477 /nfs/dbraw/zinc/62/04/77/446620477.db2.gz UDLVCCKXTDXNSX-PBHICJAKSA-N 2 1 332.448 1.193 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418696914 446651467 /nfs/dbraw/zinc/65/14/67/446651467.db2.gz LBYRFMGNPKOKNE-LAQRGFTBSA-N 2 1 330.476 1.886 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000418696496 446651908 /nfs/dbraw/zinc/65/19/08/446651908.db2.gz KYOOUAJLNXTQJE-HUUCEWRRSA-N 2 1 334.464 1.648 20 0 EDADMP CN1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000371090274 446620578 /nfs/dbraw/zinc/62/05/78/446620578.db2.gz WUETYFZWHTZVGO-RDTXWAMCSA-N 2 1 328.460 1.957 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000371090274 446620584 /nfs/dbraw/zinc/62/05/84/446620584.db2.gz WUETYFZWHTZVGO-RDTXWAMCSA-N 2 1 328.460 1.957 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000371090274 446620593 /nfs/dbraw/zinc/62/05/93/446620593.db2.gz WUETYFZWHTZVGO-RDTXWAMCSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000371090274 446620601 /nfs/dbraw/zinc/62/06/01/446620601.db2.gz WUETYFZWHTZVGO-RDTXWAMCSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000371090274 446620608 /nfs/dbraw/zinc/62/06/08/446620608.db2.gz WUETYFZWHTZVGO-RDTXWAMCSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3ccc(=O)[nH]c3)CC2)CC1 ZINC000371089131 446621334 /nfs/dbraw/zinc/62/13/34/446621334.db2.gz PNAGKDIZPCQSCB-UHFFFAOYSA-N 2 1 346.475 1.713 20 0 EDADMP CC[C@@H](C(=O)NC[C@]1(COC)CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000423640555 446621884 /nfs/dbraw/zinc/62/18/84/446621884.db2.gz VXCXYLMEMHMBLS-HKUYNNGSSA-N 2 1 333.476 1.782 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418631738 446623888 /nfs/dbraw/zinc/62/38/88/446623888.db2.gz YISILNVYSWKUFK-INIZCTEOSA-N 2 1 326.485 1.256 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(CC(=O)N2CCOCC2)CC1 ZINC000371097526 446626648 /nfs/dbraw/zinc/62/66/48/446626648.db2.gz FWKUBGGNUKQWNO-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423755455 446685525 /nfs/dbraw/zinc/68/55/25/446685525.db2.gz FGIRVCVHLILAIY-UHFFFAOYSA-N 3 1 338.540 1.913 20 0 EDADMP CN(CC[N@H+](C)C1CCCCC1)C(=O)CCCN1CCC([NH3+])CC1 ZINC000423755455 446685531 /nfs/dbraw/zinc/68/55/31/446685531.db2.gz FGIRVCVHLILAIY-UHFFFAOYSA-N 2 1 338.540 1.913 20 0 EDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCCN1CCC([NH3+])CC1 ZINC000423755455 446685539 /nfs/dbraw/zinc/68/55/39/446685539.db2.gz FGIRVCVHLILAIY-UHFFFAOYSA-N 2 1 338.540 1.913 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418794032 446706019 /nfs/dbraw/zinc/70/60/19/446706019.db2.gz QQJRUCCSBSZMME-INIZCTEOSA-N 2 1 338.452 1.121 20 0 EDADMP Cc1c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)nnn1C1CC[NH2+]CC1 ZINC000371262770 446724457 /nfs/dbraw/zinc/72/44/57/446724457.db2.gz PUWUWALCFGFREV-HOTGVXAUSA-N 2 1 346.479 1.210 20 0 EDADMP C[C@@H]1C[N@H+](CCC(=O)OC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371303009 446758402 /nfs/dbraw/zinc/75/84/02/446758402.db2.gz MGJNCCVXXAUVIM-HZPDHXFCSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H]1C[N@@H+](CCC(=O)OC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371303009 446758406 /nfs/dbraw/zinc/75/84/06/446758406.db2.gz MGJNCCVXXAUVIM-HZPDHXFCSA-N 2 1 325.497 1.676 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000418872146 446764605 /nfs/dbraw/zinc/76/46/05/446764605.db2.gz WGIHRJJABVUNNQ-HUUCEWRRSA-N 2 1 340.512 1.103 20 0 EDADMP COC(=O)c1ccc(C[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)[nH]1 ZINC000376869952 446766496 /nfs/dbraw/zinc/76/64/96/446766496.db2.gz NDFSXIXQJNRDFZ-HNNXBMFYSA-N 2 1 343.431 1.967 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423917410 446767107 /nfs/dbraw/zinc/76/71/07/446767107.db2.gz ZMXRWHWBNYCLLF-QYZOEREBSA-N 2 1 345.487 1.863 20 0 EDADMP C[N@@H+]1CCC[C@H](C[NH2+]CC(=O)N2CCOCC2)[C@H]1c1ccccc1 ZINC000375472289 446827251 /nfs/dbraw/zinc/82/72/51/446827251.db2.gz SOCWWBWILNNAFR-IEBWSBKVSA-N 2 1 331.460 1.518 20 0 EDADMP C[N@H+]1CCC[C@H](C[NH2+]CC(=O)N2CCOCC2)[C@H]1c1ccccc1 ZINC000375472289 446827260 /nfs/dbraw/zinc/82/72/60/446827260.db2.gz SOCWWBWILNNAFR-IEBWSBKVSA-N 2 1 331.460 1.518 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000420767141 446805431 /nfs/dbraw/zinc/80/54/31/446805431.db2.gz UDHAKBPMPWJUDR-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000420767141 446805438 /nfs/dbraw/zinc/80/54/38/446805438.db2.gz UDHAKBPMPWJUDR-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@]1(C)C[NH3+] ZINC000423987546 446808514 /nfs/dbraw/zinc/80/85/14/446808514.db2.gz VZOLFDVJVKRJSL-SZVBFZGTSA-N 2 1 331.460 1.331 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@]1(C)C[NH3+] ZINC000423987546 446808520 /nfs/dbraw/zinc/80/85/20/446808520.db2.gz VZOLFDVJVKRJSL-SZVBFZGTSA-N 2 1 331.460 1.331 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)[C@H](C)C1 ZINC000424146404 446860464 /nfs/dbraw/zinc/86/04/64/446860464.db2.gz PPQHJEZFJWAMPF-YCPHGPKFSA-N 2 1 334.468 1.005 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424144552 446860658 /nfs/dbraw/zinc/86/06/58/446860658.db2.gz LRVAONNQABLAFJ-HOTGVXAUSA-N 2 1 347.507 1.595 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000419018012 446869739 /nfs/dbraw/zinc/86/97/39/446869739.db2.gz BICLFGVWELMAPM-LSDHHAIUSA-N 2 1 340.512 1.103 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000368451862 446871259 /nfs/dbraw/zinc/87/12/59/446871259.db2.gz YHBWNKAVOFNPRN-WDSOQIARSA-N 2 1 344.503 1.479 20 0 EDADMP Cc1nc(N2CCOCC2)ccc1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000368457811 446874546 /nfs/dbraw/zinc/87/45/46/446874546.db2.gz LHROWKCYNQWBPZ-MRXNPFEDSA-N 2 1 348.447 1.274 20 0 EDADMP COC1(C[NH2+]CCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CCOCC1 ZINC000368461426 446877676 /nfs/dbraw/zinc/87/76/76/446877676.db2.gz IRJCLSXPMFMOEZ-LJQANCHMSA-N 2 1 347.503 1.760 20 0 EDADMP CNC(=O)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420907981 446883074 /nfs/dbraw/zinc/88/30/74/446883074.db2.gz VZKPRKOHSYDTMB-UHFFFAOYSA-N 2 1 331.460 1.477 20 0 EDADMP O=C1C[C@@]2(CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)CN1 ZINC000420962726 446931761 /nfs/dbraw/zinc/93/17/61/446931761.db2.gz KXRVVGNIWVQXAO-IBGZPJMESA-N 2 1 329.444 1.231 20 0 EDADMP O=C1C[C@@]2(CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)CN1 ZINC000420962726 446931766 /nfs/dbraw/zinc/93/17/66/446931766.db2.gz KXRVVGNIWVQXAO-IBGZPJMESA-N 2 1 329.444 1.231 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000442718915 446942195 /nfs/dbraw/zinc/94/21/95/446942195.db2.gz MEFKMKLOEVQLAL-IBGZPJMESA-N 2 1 331.460 1.224 20 0 EDADMP CC[NH+](CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000442718915 446942199 /nfs/dbraw/zinc/94/21/99/446942199.db2.gz MEFKMKLOEVQLAL-IBGZPJMESA-N 2 1 331.460 1.224 20 0 EDADMP CC[NH+](CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000442718915 446942204 /nfs/dbraw/zinc/94/22/04/446942204.db2.gz MEFKMKLOEVQLAL-IBGZPJMESA-N 2 1 331.460 1.224 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442758389 446954038 /nfs/dbraw/zinc/95/40/38/446954038.db2.gz AQZYKPDKUOLMNL-BARDWOONSA-N 2 1 333.432 1.000 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442758389 446954042 /nfs/dbraw/zinc/95/40/42/446954042.db2.gz AQZYKPDKUOLMNL-BARDWOONSA-N 2 1 333.432 1.000 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000419148660 446964577 /nfs/dbraw/zinc/96/45/77/446964577.db2.gz DMNKDHNQHGFOBH-ARFHVFGLSA-N 2 1 338.496 1.001 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442781006 446964897 /nfs/dbraw/zinc/96/48/97/446964897.db2.gz NQOIUDWZAJKADB-KCQAQPDRSA-N 2 1 335.448 1.378 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442781006 446964905 /nfs/dbraw/zinc/96/49/05/446964905.db2.gz NQOIUDWZAJKADB-KCQAQPDRSA-N 2 1 335.448 1.378 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000372108978 447006265 /nfs/dbraw/zinc/00/62/65/447006265.db2.gz VPRSWGOPLIQNFB-AWEZNQCLSA-N 2 1 332.448 1.258 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419229105 447020068 /nfs/dbraw/zinc/02/00/68/447020068.db2.gz NPPXFGZKMBONNE-JKSUJKDBSA-N 2 1 338.496 1.001 20 0 EDADMP C[C@H](C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000372099443 447000666 /nfs/dbraw/zinc/00/06/66/447000666.db2.gz UVYDISXFPHYMQE-YTQUADARSA-N 2 1 344.503 1.561 20 0 EDADMP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000368711333 447058191 /nfs/dbraw/zinc/05/81/91/447058191.db2.gz DDDBCYGDMZBQDN-LSDHHAIUSA-N 2 1 349.504 1.071 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368782124 447101392 /nfs/dbraw/zinc/10/13/92/447101392.db2.gz QPGWFZICZQUIDU-IAGOWNOFSA-N 2 1 331.460 1.870 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368782124 447101399 /nfs/dbraw/zinc/10/13/99/447101399.db2.gz QPGWFZICZQUIDU-IAGOWNOFSA-N 2 1 331.460 1.870 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444167209 447085430 /nfs/dbraw/zinc/08/54/30/447085430.db2.gz DKYKNYHXACKULO-NSHGMRRFSA-N 2 1 327.472 1.667 20 0 EDADMP CC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CC1(C)C ZINC000419322335 447087383 /nfs/dbraw/zinc/08/73/83/447087383.db2.gz SFEHTCSYIVWLTG-ULQDDVLXSA-N 2 1 339.524 1.874 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC000419404752 447156017 /nfs/dbraw/zinc/15/60/17/447156017.db2.gz GHKUUUZIEUXDIM-HZPDHXFCSA-N 2 1 340.512 1.203 20 0 EDADMP CCCC[C@H](C(=O)OC)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375893578 447127361 /nfs/dbraw/zinc/12/73/61/447127361.db2.gz ZZQQEIJNAHQZCJ-DLBZAZTESA-N 2 1 325.497 1.819 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3CCC(C)CC3)C2)CC1 ZINC000375899303 447131487 /nfs/dbraw/zinc/13/14/87/447131487.db2.gz BTEQDQIUAZQBBE-SFHVURJKSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3CCC(C)CC3)C2)CC1 ZINC000375899303 447131491 /nfs/dbraw/zinc/13/14/91/447131491.db2.gz BTEQDQIUAZQBBE-SFHVURJKSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000425458108 447173536 /nfs/dbraw/zinc/17/35/36/447173536.db2.gz MATOEXJTPKVFTI-DOTOQJQBSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000425458108 447173540 /nfs/dbraw/zinc/17/35/40/447173540.db2.gz MATOEXJTPKVFTI-DOTOQJQBSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)C[N@H+]1CCO ZINC000419481630 447213726 /nfs/dbraw/zinc/21/37/26/447213726.db2.gz WOOKISJMAKLVQA-XNIRIUNOSA-N 2 1 340.512 1.203 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1)c1ccccc1 ZINC000425541779 447219329 /nfs/dbraw/zinc/21/93/29/447219329.db2.gz GRFPFXTZKBUFDR-HOTGVXAUSA-N 2 1 342.447 1.013 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1)c1ccccc1 ZINC000425541779 447219337 /nfs/dbraw/zinc/21/93/37/447219337.db2.gz GRFPFXTZKBUFDR-HOTGVXAUSA-N 2 1 342.447 1.013 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+]1CCCCC1 ZINC000369046245 447285101 /nfs/dbraw/zinc/28/51/01/447285101.db2.gz FDKKZRIRRFMRQN-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H](CNC(=O)NCc1ccnc(-n2ccnc2)c1)[N@@H+](C)C1CC1 ZINC000369049048 447288445 /nfs/dbraw/zinc/28/84/45/447288445.db2.gz ZNOSAYLLCAHXLM-ZDUSSCGKSA-N 2 1 328.420 1.549 20 0 EDADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[C@H](C)[N@@H+]1C ZINC000458719807 447460750 /nfs/dbraw/zinc/46/07/50/447460750.db2.gz MTYFEKAMNAYGTH-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@H](C)[NH+]1C ZINC000458719807 447460756 /nfs/dbraw/zinc/46/07/56/447460756.db2.gz MTYFEKAMNAYGTH-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[C@H](C)[NH+]1C ZINC000458719807 447460761 /nfs/dbraw/zinc/46/07/61/447460761.db2.gz MTYFEKAMNAYGTH-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP COC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000389885366 447488002 /nfs/dbraw/zinc/48/80/02/447488002.db2.gz RAPXKNDMJDPCBP-DOTOQJQBSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390902445 447504415 /nfs/dbraw/zinc/50/44/15/447504415.db2.gz VNHJYWPVPLARNK-QAPCUYQASA-N 2 1 331.460 1.534 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000392329751 447521952 /nfs/dbraw/zinc/52/19/52/447521952.db2.gz AJMRFBSEEFLVPY-HOCLYGCPSA-N 2 1 332.448 1.170 20 0 EDADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC(=O)NC3(C)C)CC2)nc(C)[nH+]1 ZINC000495039208 447472811 /nfs/dbraw/zinc/47/28/11/447472811.db2.gz POEWBSLXFQJMKD-OAHLLOKOSA-N 2 1 331.464 1.709 20 0 EDADMP CC(C)[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)C(C)C ZINC000457424228 447577933 /nfs/dbraw/zinc/57/79/33/447577933.db2.gz OQMWENTWBQNFNA-INIZCTEOSA-N 2 1 328.501 1.251 20 0 EDADMP C[N@H+](CCCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000457213782 447544482 /nfs/dbraw/zinc/54/44/82/447544482.db2.gz ZQPUZKNLKPTSHG-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP C[N@@H+](CCCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000457213782 447544487 /nfs/dbraw/zinc/54/44/87/447544487.db2.gz ZQPUZKNLKPTSHG-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](CCCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000457213782 447544491 /nfs/dbraw/zinc/54/44/91/447544491.db2.gz ZQPUZKNLKPTSHG-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](CCCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000457213782 447544497 /nfs/dbraw/zinc/54/44/97/447544497.db2.gz ZQPUZKNLKPTSHG-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000450649373 447548382 /nfs/dbraw/zinc/54/83/82/447548382.db2.gz ISPZMIUNGNHANN-UHFFFAOYSA-N 2 1 346.471 1.887 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCN3C(=O)N[C@@H](C)C3=O)C2)[nH+]1 ZINC000459351818 447644036 /nfs/dbraw/zinc/64/40/36/447644036.db2.gz ZQFNKOPORNVFPX-KBPBESRZSA-N 2 1 331.420 1.064 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCN3C(=O)N[C@@H](C)C3=O)C2)[nH+]1 ZINC000459351818 447644039 /nfs/dbraw/zinc/64/40/39/447644039.db2.gz ZQFNKOPORNVFPX-KBPBESRZSA-N 2 1 331.420 1.064 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000420141426 447631100 /nfs/dbraw/zinc/63/11/00/447631100.db2.gz YLQXICLHEOBDKQ-OAHLLOKOSA-N 2 1 346.475 1.123 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000416852354 447697106 /nfs/dbraw/zinc/69/71/06/447697106.db2.gz MOGQEOQSJNGKNO-IUODEOHRSA-N 2 1 340.855 1.230 20 0 EDADMP [NH3+]C[C@@H]1CCCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000428518845 447706218 /nfs/dbraw/zinc/70/62/18/447706218.db2.gz OSPKKWFBEVHFPD-ROUUACIJSA-N 2 1 331.460 1.475 20 0 EDADMP [NH3+]C[C@@H]1CCCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000428518845 447706226 /nfs/dbraw/zinc/70/62/26/447706226.db2.gz OSPKKWFBEVHFPD-ROUUACIJSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000451081261 447673015 /nfs/dbraw/zinc/67/30/15/447673015.db2.gz DDZMWSGATUHDFE-WMZOPIPTSA-N 2 1 337.508 1.699 20 0 EDADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422635569 447681917 /nfs/dbraw/zinc/68/19/17/447681917.db2.gz LOCGIPVMFCMBCI-WCVJEAGWSA-N 2 1 339.480 1.236 20 0 EDADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422635569 447681921 /nfs/dbraw/zinc/68/19/21/447681921.db2.gz LOCGIPVMFCMBCI-WCVJEAGWSA-N 2 1 339.480 1.236 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N(C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000416922233 447710280 /nfs/dbraw/zinc/71/02/80/447710280.db2.gz OPLXCCUZNCPIMB-KBPBESRZSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000416923741 447711625 /nfs/dbraw/zinc/71/16/25/447711625.db2.gz QIWHPUHLNQPTND-LXTVHRRPSA-N 2 1 326.485 1.301 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000416923741 447711629 /nfs/dbraw/zinc/71/16/29/447711629.db2.gz QIWHPUHLNQPTND-LXTVHRRPSA-N 2 1 326.485 1.301 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000416932822 447713120 /nfs/dbraw/zinc/71/31/20/447713120.db2.gz RFIJWWCKNKREKS-IJEWVQPXSA-N 2 1 340.512 1.691 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000416932822 447713123 /nfs/dbraw/zinc/71/31/23/447713123.db2.gz RFIJWWCKNKREKS-IJEWVQPXSA-N 2 1 340.512 1.691 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NCCC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000416939070 447716249 /nfs/dbraw/zinc/71/62/49/447716249.db2.gz GNWAJBCUMVUMGN-OWCLPIDISA-N 2 1 326.485 1.317 20 0 EDADMP C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000422702743 447720519 /nfs/dbraw/zinc/72/05/19/447720519.db2.gz LKRJVQMFFVYMNZ-GUTXKFCHSA-N 2 1 325.478 1.586 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)[NH+]1CCOCC1 ZINC000416946124 447721256 /nfs/dbraw/zinc/72/12/56/447721256.db2.gz XCCSHLXWUZOPJI-OLZOCXBDSA-N 2 1 336.427 1.015 20 0 EDADMP C[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422710294 447723016 /nfs/dbraw/zinc/72/30/16/447723016.db2.gz LLVLMXJDNIWJQD-KBXCAEBGSA-N 2 1 331.460 1.617 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417023944 447731096 /nfs/dbraw/zinc/73/10/96/447731096.db2.gz PSYVLJRVTKDJKQ-WMZOPIPTSA-N 2 1 347.507 1.354 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000417023944 447731102 /nfs/dbraw/zinc/73/11/02/447731102.db2.gz PSYVLJRVTKDJKQ-WMZOPIPTSA-N 2 1 347.507 1.354 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)[nH+]c1 ZINC000417072265 447733094 /nfs/dbraw/zinc/73/30/94/447733094.db2.gz XDXNSIDNVFZGRT-KRWDZBQOSA-N 2 1 345.491 2.366 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000417105682 447734927 /nfs/dbraw/zinc/73/49/27/447734927.db2.gz GQMZCHRBYONIBS-HIFRSBDPSA-N 2 1 336.505 1.888 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000417105682 447734930 /nfs/dbraw/zinc/73/49/30/447734930.db2.gz GQMZCHRBYONIBS-HIFRSBDPSA-N 2 1 336.505 1.888 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]CC2([NH+](C)C)CCCC2)CC[NH2+]CC1 ZINC000422777316 447748008 /nfs/dbraw/zinc/74/80/08/447748008.db2.gz CBXKBKPIIXYXCO-HNNXBMFYSA-N 3 1 325.497 1.772 20 0 EDADMP CCOC(=O)N1CCC([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000496252889 447749309 /nfs/dbraw/zinc/74/93/09/447749309.db2.gz ICLVDVCYKNKXHM-UHFFFAOYSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000422820615 447759383 /nfs/dbraw/zinc/75/93/83/447759383.db2.gz RKTAWOQFLUATKI-DZGCQCFKSA-N 2 1 325.478 1.415 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000422825043 447760394 /nfs/dbraw/zinc/76/03/94/447760394.db2.gz PAFNUTBARFGNMI-BPQIPLTHSA-N 2 1 333.476 1.780 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422825043 447760399 /nfs/dbraw/zinc/76/03/99/447760399.db2.gz PAFNUTBARFGNMI-BPQIPLTHSA-N 2 1 333.476 1.780 20 0 EDADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430592663 447781458 /nfs/dbraw/zinc/78/14/58/447781458.db2.gz QXWPGIQPMYDQMF-KGLIPLIRSA-N 2 1 335.448 1.248 20 0 EDADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430592663 447781460 /nfs/dbraw/zinc/78/14/60/447781460.db2.gz QXWPGIQPMYDQMF-KGLIPLIRSA-N 2 1 335.448 1.248 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000422973952 447785540 /nfs/dbraw/zinc/78/55/40/447785540.db2.gz CZNUMNMQQNYHPV-QYZOEREBSA-N 3 1 335.492 1.213 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000422973952 447785545 /nfs/dbraw/zinc/78/55/45/447785545.db2.gz CZNUMNMQQNYHPV-QYZOEREBSA-N 3 1 335.492 1.213 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@H](CC)C1 ZINC000462723937 447800052 /nfs/dbraw/zinc/80/00/52/447800052.db2.gz VOJOMSBQLZNXIJ-IXDOHACOSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000462723937 447800054 /nfs/dbraw/zinc/80/00/54/447800054.db2.gz VOJOMSBQLZNXIJ-IXDOHACOSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000462723937 447800058 /nfs/dbraw/zinc/80/00/58/447800058.db2.gz VOJOMSBQLZNXIJ-IXDOHACOSA-N 2 1 342.528 1.593 20 0 EDADMP CNC(=O)COc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423111886 447808101 /nfs/dbraw/zinc/80/81/01/447808101.db2.gz REKMHARKPIETHT-HNAYVOBHSA-N 2 1 341.455 1.860 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000487616837 447834965 /nfs/dbraw/zinc/83/49/65/447834965.db2.gz IIPFFQSLYHDLBW-DLBZAZTESA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)C1 ZINC000487616837 447834966 /nfs/dbraw/zinc/83/49/66/447834966.db2.gz IIPFFQSLYHDLBW-DLBZAZTESA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)C1 ZINC000487616837 447834968 /nfs/dbraw/zinc/83/49/68/447834968.db2.gz IIPFFQSLYHDLBW-DLBZAZTESA-N 2 1 340.512 1.325 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487674882 447835858 /nfs/dbraw/zinc/83/58/58/447835858.db2.gz KWXURIJPRHSSIT-UAGQMJEPSA-N 2 1 340.512 1.394 20 0 EDADMP C[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1=CC[N@@H+](C)CC1 ZINC000496661377 447843106 /nfs/dbraw/zinc/84/31/06/447843106.db2.gz LVHPMAPGUZYHMM-GUYCJALGSA-N 2 1 327.469 1.502 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ncc(C)cc1OC ZINC000489975139 447882978 /nfs/dbraw/zinc/88/29/78/447882978.db2.gz BMQMDDYYLPNMPO-MRXNPFEDSA-N 2 1 348.491 1.887 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1)C1CC1 ZINC000523613718 447894821 /nfs/dbraw/zinc/89/48/21/447894821.db2.gz XMFXPIZSUHSMLU-KRWDZBQOSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C1CC1 ZINC000523613718 447894828 /nfs/dbraw/zinc/89/48/28/447894828.db2.gz XMFXPIZSUHSMLU-KRWDZBQOSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CC1 ZINC000523613718 447894834 /nfs/dbraw/zinc/89/48/34/447894834.db2.gz XMFXPIZSUHSMLU-KRWDZBQOSA-N 2 1 330.476 1.894 20 0 EDADMP CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000575810679 447904154 /nfs/dbraw/zinc/90/41/54/447904154.db2.gz SSRRGHOLGALHOW-QGZVFWFLSA-N 2 1 337.489 1.236 20 0 EDADMP CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000575810677 447904977 /nfs/dbraw/zinc/90/49/77/447904977.db2.gz SSRRGHOLGALHOW-KRWDZBQOSA-N 2 1 337.489 1.236 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000575853153 447911829 /nfs/dbraw/zinc/91/18/29/447911829.db2.gz DCWGZCILPABFFY-INIZCTEOSA-N 2 1 336.480 1.035 20 0 EDADMP O=C(Oc1ccccc1)N1CCC[N@@H+](CCN2CC[NH2+]CC2)CC1 ZINC000496790900 447914913 /nfs/dbraw/zinc/91/49/13/447914913.db2.gz DCVKNGHMILCHCA-UHFFFAOYSA-N 2 1 332.448 1.098 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@H]1C[NH2+]CCCO1 ZINC000569947708 447926093 /nfs/dbraw/zinc/92/60/93/447926093.db2.gz TUZXLLBBDKKYPH-QZTJIDSGSA-N 2 1 346.475 1.186 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000524371911 447928489 /nfs/dbraw/zinc/92/84/89/447928489.db2.gz WLJIYRLJYIPUKH-MJGOQNOKSA-N 2 1 331.460 1.176 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC000524588922 447935515 /nfs/dbraw/zinc/93/55/15/447935515.db2.gz YPLGXCBQLRJJEJ-QGZVFWFLSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000524588922 447935516 /nfs/dbraw/zinc/93/55/16/447935516.db2.gz YPLGXCBQLRJJEJ-QGZVFWFLSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000524588922 447935518 /nfs/dbraw/zinc/93/55/18/447935518.db2.gz YPLGXCBQLRJJEJ-QGZVFWFLSA-N 2 1 340.512 1.469 20 0 EDADMP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1nc2c(s1)CCC2 ZINC000570283299 447978475 /nfs/dbraw/zinc/97/84/75/447978475.db2.gz QESCORIVFITONV-OLZOCXBDSA-N 2 1 334.489 1.892 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1nc2c(s1)CCC2 ZINC000570283299 447978480 /nfs/dbraw/zinc/97/84/80/447978480.db2.gz QESCORIVFITONV-OLZOCXBDSA-N 2 1 334.489 1.892 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000525311958 447994512 /nfs/dbraw/zinc/99/45/12/447994512.db2.gz MSOQNBZXYDVJAU-WSTZPKSXSA-N 2 1 343.471 1.366 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000525311958 447994518 /nfs/dbraw/zinc/99/45/18/447994518.db2.gz MSOQNBZXYDVJAU-WSTZPKSXSA-N 2 1 343.471 1.366 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000525311958 447994523 /nfs/dbraw/zinc/99/45/23/447994523.db2.gz MSOQNBZXYDVJAU-WSTZPKSXSA-N 2 1 343.471 1.366 20 0 EDADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000525452036 447999690 /nfs/dbraw/zinc/99/96/90/447999690.db2.gz JWXNOBQNTBFXFQ-OAHLLOKOSA-N 3 1 339.484 1.017 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc(OC)c1 ZINC000531034239 448004863 /nfs/dbraw/zinc/00/48/63/448004863.db2.gz QJJANJVIFMWCSV-CVEARBPZSA-N 2 1 347.459 1.346 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc(OC)c1 ZINC000531034239 448004869 /nfs/dbraw/zinc/00/48/69/448004869.db2.gz QJJANJVIFMWCSV-CVEARBPZSA-N 2 1 347.459 1.346 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc(OC)c1 ZINC000531034239 448004875 /nfs/dbraw/zinc/00/48/75/448004875.db2.gz QJJANJVIFMWCSV-CVEARBPZSA-N 2 1 347.459 1.346 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc(OC)c1 ZINC000531034239 448004882 /nfs/dbraw/zinc/00/48/82/448004882.db2.gz QJJANJVIFMWCSV-CVEARBPZSA-N 2 1 347.459 1.346 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000530821351 447966284 /nfs/dbraw/zinc/96/62/84/447966284.db2.gz ZOWCLLVHWZNCGV-KRWDZBQOSA-N 2 1 344.503 1.506 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000530830424 447966762 /nfs/dbraw/zinc/96/67/62/447966762.db2.gz AAVAQRJFUPECMG-JKSUJKDBSA-N 2 1 339.867 1.780 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000530830424 447966766 /nfs/dbraw/zinc/96/67/66/447966766.db2.gz AAVAQRJFUPECMG-JKSUJKDBSA-N 2 1 339.867 1.780 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496913207 448031266 /nfs/dbraw/zinc/03/12/66/448031266.db2.gz RXHGXMGJEMMGCT-PMPSAXMXSA-N 2 1 343.512 1.924 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496913207 448031270 /nfs/dbraw/zinc/03/12/70/448031270.db2.gz RXHGXMGJEMMGCT-PMPSAXMXSA-N 2 1 343.512 1.924 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496913207 448031274 /nfs/dbraw/zinc/03/12/74/448031274.db2.gz RXHGXMGJEMMGCT-PMPSAXMXSA-N 2 1 343.512 1.924 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496913207 448031278 /nfs/dbraw/zinc/03/12/78/448031278.db2.gz RXHGXMGJEMMGCT-PMPSAXMXSA-N 2 1 343.512 1.924 20 0 EDADMP Cc1cc(NC(=O)CC[NH2+]CCC[N@@H+]2CCc3ccccc3C2)no1 ZINC000554601433 448040810 /nfs/dbraw/zinc/04/08/10/448040810.db2.gz WTJDOUDADDGQDZ-UHFFFAOYSA-N 2 1 342.443 2.350 20 0 EDADMP Cc1cc(NC(=O)CC[NH2+]CCC[N@H+]2CCc3ccccc3C2)no1 ZINC000554601433 448040815 /nfs/dbraw/zinc/04/08/15/448040815.db2.gz WTJDOUDADDGQDZ-UHFFFAOYSA-N 2 1 342.443 2.350 20 0 EDADMP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000571298715 448131762 /nfs/dbraw/zinc/13/17/62/448131762.db2.gz SNAZCCZSPLDXGC-OAHLLOKOSA-N 2 1 349.479 1.036 20 0 EDADMP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(C)C(C)(C)C1 ZINC000571298715 448131768 /nfs/dbraw/zinc/13/17/68/448131768.db2.gz SNAZCCZSPLDXGC-OAHLLOKOSA-N 2 1 349.479 1.036 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000514601930 448170408 /nfs/dbraw/zinc/17/04/08/448170408.db2.gz HATNWCLYHBLRBG-OAHLLOKOSA-N 2 1 333.480 1.138 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)NC(=O)CO2 ZINC000571904241 448233083 /nfs/dbraw/zinc/23/30/83/448233083.db2.gz QMRFRKSUJBKLMD-QGPMSJSTSA-N 2 1 345.443 1.701 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2c(c1)NC(=O)CO2 ZINC000571904241 448233086 /nfs/dbraw/zinc/23/30/86/448233086.db2.gz QMRFRKSUJBKLMD-QGPMSJSTSA-N 2 1 345.443 1.701 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](O)C3(C)C)CC2)CC1 ZINC000582430311 448237085 /nfs/dbraw/zinc/23/70/85/448237085.db2.gz UMDMBJZTIDVEAT-QGZVFWFLSA-N 2 1 337.508 1.555 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000515144565 448265857 /nfs/dbraw/zinc/26/58/57/448265857.db2.gz HTOHGHLVOMXCCA-BBWFWOEESA-N 2 1 338.496 1.400 20 0 EDADMP C[N@H+](CCC(=O)NC(C)(C)C[NH+]1CCOCC1)C1CCCCC1 ZINC000582712958 448317368 /nfs/dbraw/zinc/31/73/68/448317368.db2.gz VPRBSONFFIDNTG-UHFFFAOYSA-N 2 1 325.497 1.868 20 0 EDADMP C[N@@H+](CCC(=O)NC(C)(C)C[NH+]1CCOCC1)C1CCCCC1 ZINC000582712958 448317375 /nfs/dbraw/zinc/31/73/75/448317375.db2.gz VPRBSONFFIDNTG-UHFFFAOYSA-N 2 1 325.497 1.868 20 0 EDADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000577372866 448279658 /nfs/dbraw/zinc/27/96/58/448279658.db2.gz WYIRKAAEHVYUCF-FAFZWHIHSA-N 2 1 342.487 1.206 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000515381015 448303746 /nfs/dbraw/zinc/30/37/46/448303746.db2.gz QIVWMRPVXISJJY-HBUWYVDXSA-N 2 1 343.475 1.576 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000515381015 448303753 /nfs/dbraw/zinc/30/37/53/448303753.db2.gz QIVWMRPVXISJJY-HBUWYVDXSA-N 2 1 343.475 1.576 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000515381015 448303763 /nfs/dbraw/zinc/30/37/63/448303763.db2.gz QIVWMRPVXISJJY-HBUWYVDXSA-N 2 1 343.475 1.576 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000527766985 448357004 /nfs/dbraw/zinc/35/70/04/448357004.db2.gz IPSUXJZHJHHRPB-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527766985 448357009 /nfs/dbraw/zinc/35/70/09/448357009.db2.gz IPSUXJZHJHHRPB-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527766985 448357013 /nfs/dbraw/zinc/35/70/13/448357013.db2.gz IPSUXJZHJHHRPB-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527678133 448336272 /nfs/dbraw/zinc/33/62/72/448336272.db2.gz IRCYETIWYRBFFT-UHFFFAOYSA-N 2 1 349.479 1.478 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000582968291 448391894 /nfs/dbraw/zinc/39/18/94/448391894.db2.gz NDDHWHVLARQURY-LJQANCHMSA-N 2 1 348.491 1.528 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@@H](O)C3(C)C)CC2)CC1 ZINC000577744033 448376273 /nfs/dbraw/zinc/37/62/73/448376273.db2.gz CICUUQHVQDVAON-DLBZAZTESA-N 2 1 337.508 1.458 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N[C@@H]1CCn2ccnc2C1 ZINC000527861826 448376947 /nfs/dbraw/zinc/37/69/47/448376947.db2.gz DESSZCVVSOYMFX-ZBFHGGJFSA-N 2 1 331.464 1.904 20 0 EDADMP Cc1ccc(NCCC[NH2+]C[C@H](O)COc2ccc(F)cc2)[nH+]c1 ZINC000584048240 448470080 /nfs/dbraw/zinc/47/00/80/448470080.db2.gz IHPVMJPPWMMTQA-INIZCTEOSA-N 2 1 333.407 2.361 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000566352146 448452461 /nfs/dbraw/zinc/45/24/61/448452461.db2.gz XRUSADLIBKUTIA-KSSFIOAISA-N 2 1 337.464 1.551 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000566352146 448452464 /nfs/dbraw/zinc/45/24/64/448452464.db2.gz XRUSADLIBKUTIA-KSSFIOAISA-N 2 1 337.464 1.551 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[N@H+]1CCOC ZINC000572769390 448461504 /nfs/dbraw/zinc/46/15/04/448461504.db2.gz YWMNULXSRMPFNE-RYRKJORJSA-N 2 1 325.497 1.853 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000566471121 448485844 /nfs/dbraw/zinc/48/58/44/448485844.db2.gz NPOVZXYMNFBFLR-CQSZACIVSA-N 2 1 349.479 1.111 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCCO1 ZINC000566786552 448558302 /nfs/dbraw/zinc/55/83/02/448558302.db2.gz QHPJXMAOPWJUAJ-ZWKOTPCHSA-N 2 1 346.475 1.410 20 0 EDADMP Cc1cc(=O)n2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)sc2n1 ZINC000517146964 448543864 /nfs/dbraw/zinc/54/38/64/448543864.db2.gz RDJSNRGXZWQUHY-OLZOCXBDSA-N 2 1 333.461 1.281 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNc2cc(N3CC[C@H]([C@H](C)O)C3)ncn2)C1 ZINC000584516511 448552582 /nfs/dbraw/zinc/55/25/82/448552582.db2.gz VIZSQOXWFIKVLZ-JYJNAYRXSA-N 2 1 333.480 1.826 20 0 EDADMP CCC[C@H]1CN(C(=O)c2csc(CC[NH3+])n2)CC[N@@H+]1CCOC ZINC000573327901 448600349 /nfs/dbraw/zinc/60/03/49/448600349.db2.gz ZUDJLTASFMROTA-ZDUSSCGKSA-N 2 1 340.493 1.217 20 0 EDADMP CCC[C@H]1CN(C(=O)c2csc(CC[NH3+])n2)CC[N@H+]1CCOC ZINC000573327901 448600352 /nfs/dbraw/zinc/60/03/52/448600352.db2.gz ZUDJLTASFMROTA-ZDUSSCGKSA-N 2 1 340.493 1.217 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccnc(N(C)C)n3)C2)CC1 ZINC000541236287 448668897 /nfs/dbraw/zinc/66/88/97/448668897.db2.gz ALKNOLDHPVOYSA-QGZVFWFLSA-N 2 1 332.496 1.143 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccnc(N(C)C)n3)C2)CC1 ZINC000541236287 448668909 /nfs/dbraw/zinc/66/89/09/448668909.db2.gz ALKNOLDHPVOYSA-QGZVFWFLSA-N 2 1 332.496 1.143 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCC[NH+](C)C)CC2)CC1 ZINC000584787025 448632731 /nfs/dbraw/zinc/63/27/31/448632731.db2.gz ASTOUJSXGQBEDM-UHFFFAOYSA-N 3 1 338.540 1.641 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21)C[NH+]1CCCCC1 ZINC000518535100 448689755 /nfs/dbraw/zinc/68/97/55/448689755.db2.gz WXGQTEHKIAROBU-CVEARBPZSA-N 2 1 347.459 1.344 20 0 EDADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC(=O)Nc1ccccc1 ZINC000518771508 448708782 /nfs/dbraw/zinc/70/87/82/448708782.db2.gz VAMXZUYHEFGKOQ-SFHVURJKSA-N 2 1 330.432 1.800 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000573820717 448723616 /nfs/dbraw/zinc/72/36/16/448723616.db2.gz HHICRIZLZUZFFW-ATLSCFEFSA-N 2 1 330.476 1.947 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000518963770 448725018 /nfs/dbraw/zinc/72/50/18/448725018.db2.gz OXTGOUGDTQBWRC-JYYAWHABSA-N 2 1 333.480 1.117 20 0 EDADMP COC(=O)c1cccc(OCC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000592181455 448725627 /nfs/dbraw/zinc/72/56/27/448725627.db2.gz DKAXKWUKURQGIN-UHFFFAOYSA-N 2 1 348.443 1.649 20 0 EDADMP COC(=O)c1cccc(OCC[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000592181455 448725632 /nfs/dbraw/zinc/72/56/32/448725632.db2.gz DKAXKWUKURQGIN-UHFFFAOYSA-N 2 1 348.443 1.649 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)[C@@H](C)C1 ZINC000519407783 448767990 /nfs/dbraw/zinc/76/79/90/448767990.db2.gz ZOOFNJGWOFCQBC-UHOSZYNNSA-N 2 1 347.503 1.810 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000573942443 448754085 /nfs/dbraw/zinc/75/40/85/448754085.db2.gz XHBUGPXSRADRMB-JEBQAFNWSA-N 2 1 328.460 1.655 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C[NH+]1CCOCC1 ZINC000519633887 448805224 /nfs/dbraw/zinc/80/52/24/448805224.db2.gz YGOQPCTYJJHDQD-RYQLBKOJSA-N 2 1 346.475 1.010 20 0 EDADMP COc1ccc2cc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)ccc2c1 ZINC000519658453 448812994 /nfs/dbraw/zinc/81/29/94/448812994.db2.gz XYIGRIZZUSHDJG-SJLPKXTDSA-N 2 1 325.412 1.592 20 0 EDADMP COc1ccc2cc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)ccc2c1 ZINC000519658438 448813067 /nfs/dbraw/zinc/81/30/67/448813067.db2.gz XYIGRIZZUSHDJG-AEFFLSMTSA-N 2 1 325.412 1.592 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000579351143 448775131 /nfs/dbraw/zinc/77/51/31/448775131.db2.gz LXWFBYTXMUWWDY-UHFFFAOYSA-N 2 1 333.480 1.410 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@H]1C[NH3+] ZINC000519538439 448780275 /nfs/dbraw/zinc/78/02/75/448780275.db2.gz FDTCDGMBFVLXTA-BPQIPLTHSA-N 2 1 330.476 1.737 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000545560513 448800045 /nfs/dbraw/zinc/80/00/45/448800045.db2.gz QKDCAPULIJZGCY-INIZCTEOSA-N 2 1 340.431 1.612 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000545560513 448800050 /nfs/dbraw/zinc/80/00/50/448800050.db2.gz QKDCAPULIJZGCY-INIZCTEOSA-N 2 1 340.431 1.612 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)[C@@H]1c1ccccc1 ZINC000529322942 448822908 /nfs/dbraw/zinc/82/29/08/448822908.db2.gz RXTKTJYOBXCUBY-HOTGVXAUSA-N 2 1 332.448 1.239 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000519744910 448832011 /nfs/dbraw/zinc/83/20/11/448832011.db2.gz OVKSSERTRUQXER-ROUUACIJSA-N 2 1 337.508 1.747 20 0 EDADMP CC[NH+]1CCC(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000587018629 448833056 /nfs/dbraw/zinc/83/30/56/448833056.db2.gz DRARHXBQLVNKPC-QGZVFWFLSA-N 2 1 338.496 1.225 20 0 EDADMP CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000579687420 448852910 /nfs/dbraw/zinc/85/29/10/448852910.db2.gz IZIHJGPIXZUPRA-JKSUJKDBSA-N 2 1 333.480 1.627 20 0 EDADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000548023093 448969201 /nfs/dbraw/zinc/96/92/01/448969201.db2.gz QOVWNYJZXOLQDT-GJZGRUSLSA-N 2 1 336.505 1.684 20 0 EDADMP Cc1ncsc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000548023093 448969209 /nfs/dbraw/zinc/96/92/09/448969209.db2.gz QOVWNYJZXOLQDT-GJZGRUSLSA-N 2 1 336.505 1.684 20 0 EDADMP Cc1ncsc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000548023093 448969213 /nfs/dbraw/zinc/96/92/13/448969213.db2.gz QOVWNYJZXOLQDT-GJZGRUSLSA-N 2 1 336.505 1.684 20 0 EDADMP C[C@H](C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000529913877 449003708 /nfs/dbraw/zinc/00/37/08/449003708.db2.gz OUSHKHDBCBTQKH-IXDOHACOSA-N 2 1 337.508 1.961 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000582260955 449050690 /nfs/dbraw/zinc/05/06/90/449050690.db2.gz SZRPYWVWOKCVOU-ZWKOTPCHSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593739084 449173270 /nfs/dbraw/zinc/17/32/70/449173270.db2.gz VLJBUTALEMUHNL-QOKNQOGYSA-N 2 1 344.459 1.462 20 0 EDADMP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593739084 449173276 /nfs/dbraw/zinc/17/32/76/449173276.db2.gz VLJBUTALEMUHNL-QOKNQOGYSA-N 2 1 344.459 1.462 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604182370 449187429 /nfs/dbraw/zinc/18/74/29/449187429.db2.gz DDJFPXCLMJAWCO-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604182370 449187431 /nfs/dbraw/zinc/18/74/31/449187431.db2.gz DDJFPXCLMJAWCO-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP COC(=O)CC[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCCO1 ZINC000595890990 449235735 /nfs/dbraw/zinc/23/57/35/449235735.db2.gz GYLMKWOEJXYKJE-QGZVFWFLSA-N 2 1 332.444 1.876 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000595926986 449257614 /nfs/dbraw/zinc/25/76/14/449257614.db2.gz MTAWNRQKAHBFGJ-PBHICJAKSA-N 2 1 345.443 1.317 20 0 EDADMP CCOC(=O)CN(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000594254005 449412417 /nfs/dbraw/zinc/41/24/17/449412417.db2.gz HSZMHQJHLCEUCK-UHFFFAOYSA-N 2 1 339.480 1.204 20 0 EDADMP Cc1nc(CN2CCC(C(=O)N3CCC4(CN(C)C4)C3)CC2)cs1 ZINC000614039837 449427538 /nfs/dbraw/zinc/42/75/38/449427538.db2.gz ZRBXEGOROVILIM-UHFFFAOYSA-N 2 1 348.516 1.828 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000612026654 449526103 /nfs/dbraw/zinc/52/61/03/449526103.db2.gz LIGFACSASRTMTC-HNNXBMFYSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000612026654 449526109 /nfs/dbraw/zinc/52/61/09/449526109.db2.gz LIGFACSASRTMTC-HNNXBMFYSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000612026654 449526114 /nfs/dbraw/zinc/52/61/14/449526114.db2.gz LIGFACSASRTMTC-HNNXBMFYSA-N 2 1 340.512 1.070 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000606704103 449513057 /nfs/dbraw/zinc/51/30/57/449513057.db2.gz OYQYAGHWFCJASL-INIZCTEOSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000617349185 449569442 /nfs/dbraw/zinc/56/94/42/449569442.db2.gz LKYHWXVWINUVOW-ROUUACIJSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000617349185 449569450 /nfs/dbraw/zinc/56/94/50/449569450.db2.gz LKYHWXVWINUVOW-ROUUACIJSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000617349185 449569457 /nfs/dbraw/zinc/56/94/57/449569457.db2.gz LKYHWXVWINUVOW-ROUUACIJSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000617349185 449569463 /nfs/dbraw/zinc/56/94/63/449569463.db2.gz LKYHWXVWINUVOW-ROUUACIJSA-N 2 1 345.487 1.876 20 0 EDADMP C[S@](=O)Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000594525645 449562213 /nfs/dbraw/zinc/56/22/13/449562213.db2.gz XUNGPGDKOILOFQ-JPYJTQIMSA-N 2 1 336.501 1.908 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000607686983 449635505 /nfs/dbraw/zinc/63/55/05/449635505.db2.gz NUBXZAIBDSYHGK-QZTJIDSGSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CCC[NH+](C)C1 ZINC000607686983 449635509 /nfs/dbraw/zinc/63/55/09/449635509.db2.gz NUBXZAIBDSYHGK-QZTJIDSGSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1CCC[NH+](C)C1 ZINC000607686983 449635511 /nfs/dbraw/zinc/63/55/11/449635511.db2.gz NUBXZAIBDSYHGK-QZTJIDSGSA-N 2 1 330.476 1.846 20 0 EDADMP Cn1nc(C(=O)OC(C)(C)C)cc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000602511823 449639874 /nfs/dbraw/zinc/63/98/74/449639874.db2.gz RPXKOOQLTBSZHB-CYBMUJFWSA-N 2 1 334.464 1.949 20 0 EDADMP Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000602511823 449639878 /nfs/dbraw/zinc/63/98/78/449639878.db2.gz RPXKOOQLTBSZHB-CYBMUJFWSA-N 2 1 334.464 1.949 20 0 EDADMP Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000602511823 449639881 /nfs/dbraw/zinc/63/98/81/449639881.db2.gz RPXKOOQLTBSZHB-CYBMUJFWSA-N 2 1 334.464 1.949 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1cnn2ccccc12 ZINC000617502291 449644817 /nfs/dbraw/zinc/64/48/17/449644817.db2.gz KKLGUNUTHYSGSU-HNNXBMFYSA-N 2 1 331.464 1.265 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1cnn2ccccc12 ZINC000617502291 449644821 /nfs/dbraw/zinc/64/48/21/449644821.db2.gz KKLGUNUTHYSGSU-HNNXBMFYSA-N 2 1 331.464 1.265 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000617556786 449687539 /nfs/dbraw/zinc/68/75/39/449687539.db2.gz XNPBPNVXNSZALM-MSOLQXFVSA-N 2 1 330.476 1.846 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1CC[NH+](C)C1 ZINC000617556786 449687542 /nfs/dbraw/zinc/68/75/42/449687542.db2.gz XNPBPNVXNSZALM-MSOLQXFVSA-N 2 1 330.476 1.846 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1CC[NH+](C)C1 ZINC000617556786 449687545 /nfs/dbraw/zinc/68/75/45/449687545.db2.gz XNPBPNVXNSZALM-MSOLQXFVSA-N 2 1 330.476 1.846 20 0 EDADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cc2)n1 ZINC000594874975 449789993 /nfs/dbraw/zinc/78/99/93/449789993.db2.gz CZLHJVTXAPDABQ-ROUUACIJSA-N 2 1 339.443 1.233 20 0 EDADMP C[NH+]1CCC(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000617701455 449746040 /nfs/dbraw/zinc/74/60/40/449746040.db2.gz XRCAEIXXFPJJJM-SFHVURJKSA-N 2 1 331.460 1.211 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](CCO)CC1 ZINC000601248860 449773214 /nfs/dbraw/zinc/77/32/14/449773214.db2.gz WBTREKWNHWAMBT-INIZCTEOSA-N 2 1 340.512 1.397 20 0 EDADMP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000594942083 449815224 /nfs/dbraw/zinc/81/52/24/449815224.db2.gz WIBRMWNJKFJNJP-VBNZEHGJSA-N 2 1 332.448 1.849 20 0 EDADMP COC(=O)c1coc([C@H](C)[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)n1 ZINC000601327163 449835266 /nfs/dbraw/zinc/83/52/66/449835266.db2.gz ZYEOTYSJERWGHH-PWNZVWSESA-N 2 1 337.420 1.741 20 0 EDADMP COC(=O)c1coc([C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)n1 ZINC000601327163 449835271 /nfs/dbraw/zinc/83/52/71/449835271.db2.gz ZYEOTYSJERWGHH-PWNZVWSESA-N 2 1 337.420 1.741 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCOC3CCOCC3)C2)CC1 ZINC000599305350 449876809 /nfs/dbraw/zinc/87/68/09/449876809.db2.gz XAKAPEGZEVHHJX-KRWDZBQOSA-N 2 1 325.497 1.282 20 0 EDADMP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603111533 450073796 /nfs/dbraw/zinc/07/37/96/450073796.db2.gz RKCLAXPXOKVDJQ-OAHLLOKOSA-N 2 1 342.484 1.045 20 0 EDADMP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC000603063919 450047086 /nfs/dbraw/zinc/04/70/86/450047086.db2.gz WBQZHHYSKAOISV-HOTGVXAUSA-N 2 1 341.496 1.544 20 0 EDADMP COC(=O)CCN1CC[C@H]([N@@H+](C)CCCC[NH+]2CCCCC2)C1=O ZINC000603122364 450082548 /nfs/dbraw/zinc/08/25/48/450082548.db2.gz VUHTUXOEPSDGRM-INIZCTEOSA-N 2 1 339.480 1.348 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[C@H]1[NH+](C)C ZINC000599720449 450177371 /nfs/dbraw/zinc/17/73/71/450177371.db2.gz GYRQXBDFEAJBEG-BSDSXHPESA-N 2 1 347.528 1.836 20 0 EDADMP C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000618551818 450240015 /nfs/dbraw/zinc/24/00/15/450240015.db2.gz GXUVYJIOLHSIRD-MRXNPFEDSA-N 2 1 334.464 1.520 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000603434503 450300649 /nfs/dbraw/zinc/30/06/49/450300649.db2.gz QYBWJQLHHGQXLC-JQLUWMPHSA-N 2 1 348.491 1.496 20 0 EDADMP C[N@@H+]1C[C@H](C(=O)NCCC[NH+]2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000623366695 450507212 /nfs/dbraw/zinc/50/72/12/450507212.db2.gz DURHNVZAYQRARP-MSOLQXFVSA-N 2 1 331.460 1.170 20 0 EDADMP C[N@H+]1C[C@H](C(=O)NCCC[NH+]2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000623366695 450507215 /nfs/dbraw/zinc/50/72/15/450507215.db2.gz DURHNVZAYQRARP-MSOLQXFVSA-N 2 1 331.460 1.170 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC000623512266 450535632 /nfs/dbraw/zinc/53/56/32/450535632.db2.gz MWJUWFYYEUBXRX-IAGOWNOFSA-N 2 1 332.492 1.376 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)n1 ZINC000620778995 450543086 /nfs/dbraw/zinc/54/30/86/450543086.db2.gz HRSWADPWPSORKG-QGZVFWFLSA-N 2 1 341.459 1.449 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)n1 ZINC000620778995 450543087 /nfs/dbraw/zinc/54/30/87/450543087.db2.gz HRSWADPWPSORKG-QGZVFWFLSA-N 2 1 341.459 1.449 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNCc1nccn1Cc1ccccc1 ZINC000623618059 450552374 /nfs/dbraw/zinc/55/23/74/450552374.db2.gz BCJVKGLBABWKDA-KRWDZBQOSA-N 2 1 341.459 1.361 20 0 EDADMP NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1nccn1Cc1ccccc1 ZINC000623618059 450552376 /nfs/dbraw/zinc/55/23/76/450552376.db2.gz BCJVKGLBABWKDA-KRWDZBQOSA-N 2 1 341.459 1.361 20 0 EDADMP CC[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000620904743 450558172 /nfs/dbraw/zinc/55/81/72/450558172.db2.gz ZCTKXGAIJDVTQG-PKOBYXMFSA-N 2 1 344.503 1.403 20 0 EDADMP CC[N@@H+](CCCN1C(=O)CNC1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062234 450565819 /nfs/dbraw/zinc/56/58/19/450565819.db2.gz LTGXOHQHUDZQIM-UHFFFAOYSA-N 2 1 332.448 1.512 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3nc(N)[nH+]c(N)n3)cc2)C1 ZINC000623864461 450619487 /nfs/dbraw/zinc/61/94/87/450619487.db2.gz PHXUILKPWUZTGL-BETUJISGSA-N 2 1 341.463 1.209 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3nc(N)nc(N)[nH+]3)cc2)C1 ZINC000623864461 450619490 /nfs/dbraw/zinc/61/94/90/450619490.db2.gz PHXUILKPWUZTGL-BETUJISGSA-N 2 1 341.463 1.209 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3nc(N)nc(N)[nH+]3)cc2)C1 ZINC000623864461 450619494 /nfs/dbraw/zinc/61/94/94/450619494.db2.gz PHXUILKPWUZTGL-BETUJISGSA-N 2 1 341.463 1.209 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)NC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000633081832 450668836 /nfs/dbraw/zinc/66/88/36/450668836.db2.gz MJBGCHLVXPTNDI-ZWKOTPCHSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000633081832 450668842 /nfs/dbraw/zinc/66/88/42/450668842.db2.gz MJBGCHLVXPTNDI-ZWKOTPCHSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000633081832 450668847 /nfs/dbraw/zinc/66/88/47/450668847.db2.gz MJBGCHLVXPTNDI-ZWKOTPCHSA-N 2 1 330.476 1.963 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000629568950 450741508 /nfs/dbraw/zinc/74/15/08/450741508.db2.gz XTQQFESZUKQLCS-UHFFFAOYSA-N 2 1 331.254 1.996 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000629571866 450742233 /nfs/dbraw/zinc/74/22/33/450742233.db2.gz RRJFCJNQGCRRGB-UHFFFAOYSA-N 2 1 348.491 1.702 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000629571866 450742238 /nfs/dbraw/zinc/74/22/38/450742238.db2.gz RRJFCJNQGCRRGB-UHFFFAOYSA-N 2 1 348.491 1.702 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000621642211 450807159 /nfs/dbraw/zinc/80/71/59/450807159.db2.gz HMJBYPROVIHZMI-MHORFTMASA-N 2 1 337.508 1.866 20 0 EDADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(-n2ccnc2)ccc1O ZINC000635328013 450853212 /nfs/dbraw/zinc/85/32/12/450853212.db2.gz GDGVNVAKKGTJMT-JKSUJKDBSA-N 2 1 326.400 1.935 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1(c2cc(C)no2)CC1 ZINC000635464458 450964950 /nfs/dbraw/zinc/96/49/50/450964950.db2.gz IPWZNVPFMRBQJE-INIZCTEOSA-N 2 1 348.491 1.889 20 0 EDADMP CC[NH+](CC)CC1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000632027158 450979654 /nfs/dbraw/zinc/97/96/54/450979654.db2.gz UQIMGTLNZSSYKV-UHFFFAOYSA-N 2 1 331.526 1.464 20 0 EDADMP COc1nc(C)cc(C)c1C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000622004655 450983347 /nfs/dbraw/zinc/98/33/47/450983347.db2.gz RZKMETYTOHCVHB-HNNXBMFYSA-N 2 1 334.464 1.336 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000626932255 451014444 /nfs/dbraw/zinc/01/44/44/451014444.db2.gz UDQPPHBABPNHEI-UHFFFAOYSA-N 2 1 348.491 1.834 20 0 EDADMP CCN(CC[NH3+])C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000626931582 451014852 /nfs/dbraw/zinc/01/48/52/451014852.db2.gz AEUCCSPMNWHLQR-UHFFFAOYSA-N 2 1 347.507 1.314 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626936432 451018372 /nfs/dbraw/zinc/01/83/72/451018372.db2.gz VKGZRLQFFIZQNM-OAHLLOKOSA-N 2 1 326.485 1.448 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626937693 451019626 /nfs/dbraw/zinc/01/96/26/451019626.db2.gz WZFMCVQSOJRUKP-OAHLLOKOSA-N 2 1 326.485 1.306 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000626939723 451020510 /nfs/dbraw/zinc/02/05/10/451020510.db2.gz MPERIQQAELJLJM-IPYPFGDCSA-N 2 1 336.505 1.934 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000626939723 451020513 /nfs/dbraw/zinc/02/05/13/451020513.db2.gz MPERIQQAELJLJM-IPYPFGDCSA-N 2 1 336.505 1.934 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCOCCC[NH3+])cc1F ZINC000626948902 451027419 /nfs/dbraw/zinc/02/74/19/451027419.db2.gz DDWAEGHWCSADIP-UHFFFAOYSA-N 2 1 349.410 1.484 20 0 EDADMP O=C(NC1CC([NH+]2CCOCC2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000627930142 451028883 /nfs/dbraw/zinc/02/88/83/451028883.db2.gz RHXUFMLALQRBHF-UHFFFAOYSA-N 2 1 343.471 1.875 20 0 EDADMP CN(CCOCC[NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000626954925 451032529 /nfs/dbraw/zinc/03/25/29/451032529.db2.gz NOTHUELBFPXAQX-GOSISDBHSA-N 2 1 348.491 1.515 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC000635542724 451038916 /nfs/dbraw/zinc/03/89/16/451038916.db2.gz QNVXTLQGILBWAD-JKSUJKDBSA-N 2 1 331.464 1.520 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC000635542724 451038922 /nfs/dbraw/zinc/03/89/22/451038922.db2.gz QNVXTLQGILBWAD-JKSUJKDBSA-N 2 1 331.464 1.520 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+]3C3CCCC3)CC2)C1 ZINC000635570933 451069809 /nfs/dbraw/zinc/06/98/09/451069809.db2.gz PGMHZHKAQADBSF-ROUUACIJSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CC2)C1 ZINC000635570933 451069811 /nfs/dbraw/zinc/06/98/11/451069811.db2.gz PGMHZHKAQADBSF-ROUUACIJSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CC2)C1 ZINC000635570933 451069814 /nfs/dbraw/zinc/06/98/14/451069814.db2.gz PGMHZHKAQADBSF-ROUUACIJSA-N 2 1 334.508 1.242 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+]3C3CCCC3)CC2)C1 ZINC000635570931 451070194 /nfs/dbraw/zinc/07/01/94/451070194.db2.gz PGMHZHKAQADBSF-MSOLQXFVSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CC2)C1 ZINC000635570931 451070199 /nfs/dbraw/zinc/07/01/99/451070199.db2.gz PGMHZHKAQADBSF-MSOLQXFVSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CC2)C1 ZINC000635570931 451070205 /nfs/dbraw/zinc/07/02/05/451070205.db2.gz PGMHZHKAQADBSF-MSOLQXFVSA-N 2 1 334.508 1.242 20 0 EDADMP C[C@H](NC(=O)NCCOCCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627009498 451073388 /nfs/dbraw/zinc/07/33/88/451073388.db2.gz GRIVMDBMKDQRNI-WMZOPIPTSA-N 2 1 348.491 1.562 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C[NH2+]1 ZINC000627011973 451077547 /nfs/dbraw/zinc/07/75/47/451077547.db2.gz NVBOMNGUORKQMP-OLMNPRSZSA-N 2 1 346.475 1.193 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000635551748 451049068 /nfs/dbraw/zinc/04/90/68/451049068.db2.gz OFFOHMYRTPOSIO-OALUTQOASA-N 2 1 348.535 1.630 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635624415 451114721 /nfs/dbraw/zinc/11/47/21/451114721.db2.gz JRSYSVKFJJYTBQ-INIZCTEOSA-N 2 1 325.497 1.535 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000627114126 451130245 /nfs/dbraw/zinc/13/02/45/451130245.db2.gz YQEPYZAHIMVGLI-BRWVUGGUSA-N 2 1 334.439 1.665 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000627116401 451132356 /nfs/dbraw/zinc/13/23/56/451132356.db2.gz ZQZLBPWFRDIOMF-HNNXBMFYSA-N 2 1 326.485 1.271 20 0 EDADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000622443407 451149117 /nfs/dbraw/zinc/14/91/17/451149117.db2.gz WEQYAGYSEOQYJP-UHFFFAOYSA-N 2 1 342.447 1.756 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000632291352 451177136 /nfs/dbraw/zinc/17/71/36/451177136.db2.gz YWRSCYPIPICJBW-QGZVFWFLSA-N 2 1 339.505 1.380 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627198606 451183008 /nfs/dbraw/zinc/18/30/08/451183008.db2.gz MSKMNVSMQTVYRJ-SUMDDJOVSA-N 2 1 346.475 1.063 20 0 EDADMP O=S(=O)(CCC[NH+]1CCCC1)NCc1c[nH+]c2n1CCCC2 ZINC000632316855 451195442 /nfs/dbraw/zinc/19/54/42/451195442.db2.gz KWLUSXNYRWRSKE-UHFFFAOYSA-N 2 1 326.466 1.125 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627240679 451204464 /nfs/dbraw/zinc/20/44/64/451204464.db2.gz VMFRCDHAIITGFE-RYQLBKOJSA-N 2 1 330.476 1.900 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)C1 ZINC000635784113 451237583 /nfs/dbraw/zinc/23/75/83/451237583.db2.gz AQPLCACTSKDBLG-QFBILLFUSA-N 2 1 345.487 1.601 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000635784113 451237584 /nfs/dbraw/zinc/23/75/84/451237584.db2.gz AQPLCACTSKDBLG-QFBILLFUSA-N 2 1 345.487 1.601 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000635784113 451237586 /nfs/dbraw/zinc/23/75/86/451237586.db2.gz AQPLCACTSKDBLG-QFBILLFUSA-N 2 1 345.487 1.601 20 0 EDADMP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)CC2)c1 ZINC000638102051 451269623 /nfs/dbraw/zinc/26/96/23/451269623.db2.gz HERCWDTYOYOCMF-RHSMWYFYSA-N 2 1 329.444 1.948 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])c2)C[C@@H](C)O1 ZINC000638122395 451292711 /nfs/dbraw/zinc/29/27/11/451292711.db2.gz PCIKRQQFZZHUAM-UTJXIGIESA-N 2 1 333.432 1.351 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NCCCCn2cc[nH+]c2C)c1 ZINC000638125386 451295842 /nfs/dbraw/zinc/29/58/42/451295842.db2.gz ZTGKNBQZKZPLNL-KRWDZBQOSA-N 2 1 330.432 1.667 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635871601 451318607 /nfs/dbraw/zinc/31/86/07/451318607.db2.gz GHUVWLCCWQURKX-OAHLLOKOSA-N 2 1 325.497 1.581 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CCO1 ZINC000638170124 451335258 /nfs/dbraw/zinc/33/52/58/451335258.db2.gz DHOZYGDVOVSDKK-CEXWTWQISA-N 2 1 343.471 1.331 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)cc1 ZINC000640521130 451372218 /nfs/dbraw/zinc/37/22/18/451372218.db2.gz UEGUASKAASPDHO-ROUUACIJSA-N 2 1 345.487 1.977 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)CC1 ZINC000640530701 451382647 /nfs/dbraw/zinc/38/26/47/451382647.db2.gz BLRZLQNJFBJRCB-GOSISDBHSA-N 2 1 338.540 1.737 20 0 EDADMP Cn1ncc2c1nc(C[N@H+](C)CCCC[NH+]1CCCCC1)[nH]c2=O ZINC000640532977 451384277 /nfs/dbraw/zinc/38/42/77/451384277.db2.gz LYYNYHJGNMIIDB-UHFFFAOYSA-N 2 1 332.452 1.767 20 0 EDADMP Cn1ncc2c1nc(C[N@@H+](C)CCCC[NH+]1CCCCC1)[nH]c2=O ZINC000640532977 451384283 /nfs/dbraw/zinc/38/42/83/451384283.db2.gz LYYNYHJGNMIIDB-UHFFFAOYSA-N 2 1 332.452 1.767 20 0 EDADMP c1cc(OCCN2CCOCC2)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000638186733 451344684 /nfs/dbraw/zinc/34/46/84/451344684.db2.gz ZGTCYQSAJZJULO-ROUUACIJSA-N 2 1 331.460 1.049 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])CC[N@H+]2C2CC2)c1 ZINC000638293975 451409045 /nfs/dbraw/zinc/40/90/45/451409045.db2.gz NDENWPBEDHZHGJ-BSDSXHPESA-N 2 1 345.443 1.205 20 0 EDADMP O=C(C[C@H](n1ccnc1)C(F)(F)F)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000635976145 451411019 /nfs/dbraw/zinc/41/10/19/451411019.db2.gz WJSYQEYQLXHJTI-STQMWFEESA-N 2 1 348.369 1.340 20 0 EDADMP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000638302640 451417723 /nfs/dbraw/zinc/41/77/23/451417723.db2.gz KAIPGNHPILXVRF-MSOLQXFVSA-N 2 1 329.444 1.441 20 0 EDADMP Cn1cc(CCC[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000638305370 451419715 /nfs/dbraw/zinc/41/97/15/451419715.db2.gz WBOKOWMOBJFHMT-UHFFFAOYSA-N 2 1 328.460 1.975 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CCC[C@H]3CCO3)cc2)CC1 ZINC000638364820 451461649 /nfs/dbraw/zinc/46/16/49/451461649.db2.gz ROYHSXWKHFRHLR-SFHVURJKSA-N 2 1 331.460 1.733 20 0 EDADMP CCOC1CC(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000638364802 451462103 /nfs/dbraw/zinc/46/21/03/451462103.db2.gz QQWPBWOUCBYMPK-UHFFFAOYSA-N 2 1 345.487 1.979 20 0 EDADMP [NH3+]CC1(CCNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000638387679 451481330 /nfs/dbraw/zinc/48/13/30/451481330.db2.gz IHCLQWPMHVVNGS-UHFFFAOYSA-N 3 1 344.503 1.615 20 0 EDADMP Cc1cnc(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000634715341 451495423 /nfs/dbraw/zinc/49/54/23/451495423.db2.gz BERGFUWQZAMOGT-IBGZPJMESA-N 2 1 326.444 1.554 20 0 EDADMP Cc1cnc(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000634715341 451495426 /nfs/dbraw/zinc/49/54/26/451495426.db2.gz BERGFUWQZAMOGT-IBGZPJMESA-N 2 1 326.444 1.554 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1 ZINC000638341784 451444956 /nfs/dbraw/zinc/44/49/56/451444956.db2.gz YFCKTTMOFWFION-MRXNPFEDSA-N 2 1 346.475 1.251 20 0 EDADMP C[N@@H+](C[C@H](O)CN[C@@H](CCO)c1ccc(Cl)c(F)c1)C1CC1 ZINC000634723835 451504399 /nfs/dbraw/zinc/50/43/99/451504399.db2.gz DUORAMVBXAEZEL-CJNGLKHVSA-N 2 1 330.831 1.947 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000638448909 451521449 /nfs/dbraw/zinc/52/14/49/451521449.db2.gz UCJISGSNJRZHRS-GDBMZVCRSA-N 2 1 337.414 1.964 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000638448909 451521454 /nfs/dbraw/zinc/52/14/54/451521454.db2.gz UCJISGSNJRZHRS-GDBMZVCRSA-N 2 1 337.414 1.964 20 0 EDADMP CO[C@@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)Cc1ccccc1 ZINC000638482209 451534698 /nfs/dbraw/zinc/53/46/98/451534698.db2.gz OSLFLMSZNJPPQD-MOPGFXCFSA-N 2 1 347.503 1.776 20 0 EDADMP CO[C@@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)Cc1ccccc1 ZINC000638482209 451534703 /nfs/dbraw/zinc/53/47/03/451534703.db2.gz OSLFLMSZNJPPQD-MOPGFXCFSA-N 2 1 347.503 1.776 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000638511605 451552991 /nfs/dbraw/zinc/55/29/91/451552991.db2.gz BNCIRDHOZAVTFV-HCXYKTFWSA-N 2 1 327.472 1.821 20 0 EDADMP CCN(C(=O)[C@@H]1CCN1Cc1ccc(OC)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000636159590 451554145 /nfs/dbraw/zinc/55/41/45/451554145.db2.gz CZZXECIGECRBSS-WMZOPIPTSA-N 2 1 331.460 1.822 20 0 EDADMP [NH3+]C1(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000638539518 451568075 /nfs/dbraw/zinc/56/80/75/451568075.db2.gz BFFXSONRKPQKEZ-QGZVFWFLSA-N 2 1 331.460 1.665 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(CC(=O)Nc3ccccc3F)nn2)CC1 ZINC000640768868 451569991 /nfs/dbraw/zinc/56/99/91/451569991.db2.gz VDXBVHHDVOKMMW-UHFFFAOYSA-N 2 1 346.410 1.022 20 0 EDADMP C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640780566 451575993 /nfs/dbraw/zinc/57/59/93/451575993.db2.gz BRUYGAWNEVVOOC-GJZGRUSLSA-N 2 1 348.495 1.033 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000629168308 451577498 /nfs/dbraw/zinc/57/74/98/451577498.db2.gz KXIOHVKOKSDCQB-RTBURBONSA-N 2 1 345.487 1.124 20 0 EDADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000629168308 451577504 /nfs/dbraw/zinc/57/75/04/451577504.db2.gz KXIOHVKOKSDCQB-RTBURBONSA-N 2 1 345.487 1.124 20 0 EDADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000629168308 451577511 /nfs/dbraw/zinc/57/75/11/451577511.db2.gz KXIOHVKOKSDCQB-RTBURBONSA-N 2 1 345.487 1.124 20 0 EDADMP C[C@H](CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+](C)Cc1ccccc1 ZINC000636878272 451577600 /nfs/dbraw/zinc/57/76/00/451577600.db2.gz PSWIJFWYIILXNC-SJLPKXTDSA-N 2 1 348.491 1.263 20 0 EDADMP C[C@H](CCNC(=O)NCC[NH+]1CC[C@@H](O)C1)[N@H+](C)Cc1ccccc1 ZINC000636878272 451577611 /nfs/dbraw/zinc/57/76/11/451577611.db2.gz PSWIJFWYIILXNC-SJLPKXTDSA-N 2 1 348.491 1.263 20 0 EDADMP C[C@H](CCNC(=O)NCC[NH+]1CC[C@@H](O)C1)[N@@H+](C)Cc1ccccc1 ZINC000636878272 451577619 /nfs/dbraw/zinc/57/76/19/451577619.db2.gz PSWIJFWYIILXNC-SJLPKXTDSA-N 2 1 348.491 1.263 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000636989976 451664533 /nfs/dbraw/zinc/66/45/33/451664533.db2.gz YPWIYERJINIVLC-VQHPVUNQSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[NH2+]1 ZINC000638643980 451628099 /nfs/dbraw/zinc/62/80/99/451628099.db2.gz NRXSGGVYTVEBTR-NJAFHUGGSA-N 2 1 330.476 1.232 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000631195528 451636238 /nfs/dbraw/zinc/63/62/38/451636238.db2.gz HSVTVJHIYSGKIQ-DOTOQJQBSA-N 2 1 330.476 1.887 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000638836134 451706676 /nfs/dbraw/zinc/70/66/76/451706676.db2.gz QFMFRDSWLRZVCE-NJAFHUGGSA-N 2 1 347.528 1.966 20 0 EDADMP C[C@H]([NH2+]Cc1cnc(N)nc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638914671 451734670 /nfs/dbraw/zinc/73/46/70/451734670.db2.gz CITCRBPYJIRRNU-DZGCQCFKSA-N 2 1 326.448 1.302 20 0 EDADMP C[C@H]([NH2+]Cc1cnc(N)nc1N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638914671 451734674 /nfs/dbraw/zinc/73/46/74/451734674.db2.gz CITCRBPYJIRRNU-DZGCQCFKSA-N 2 1 326.448 1.302 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3noc4c3CCCC4)nn2)CC1 ZINC000641030876 451735355 /nfs/dbraw/zinc/73/53/55/451735355.db2.gz NQCSPVPZPZERRG-UHFFFAOYSA-N 2 1 330.436 1.159 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]CC2)CC[N@H+]1CCOC ZINC000641032227 451735861 /nfs/dbraw/zinc/73/58/61/451735861.db2.gz HCPYBFGJLMIXJN-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641033432 451736347 /nfs/dbraw/zinc/73/63/47/451736347.db2.gz NHQMVKQQFPFCPZ-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C[C@@H](C)O1 ZINC000638925151 451737806 /nfs/dbraw/zinc/73/78/06/451737806.db2.gz IYGKOUKSCYOXBU-RGCFKVTRSA-N 2 1 343.471 1.872 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)COC3CC[NH2+]CC3)C2)cc1 ZINC000639001146 451750177 /nfs/dbraw/zinc/75/01/77/451750177.db2.gz HEYDSIJMBKVXKL-KRWDZBQOSA-N 2 1 331.460 1.454 20 0 EDADMP C[C@H](c1ccccc1)[C@H](O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641222646 451788402 /nfs/dbraw/zinc/78/84/02/451788402.db2.gz WFDXRIIUOULQGA-DNVCBOLYSA-N 2 1 343.475 1.408 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000644523976 451839470 /nfs/dbraw/zinc/83/94/70/451839470.db2.gz FICYLERMDNXZQL-FGTMMUONSA-N 2 1 347.459 1.601 20 0 EDADMP OCCCCOc1ccccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000639331751 451830899 /nfs/dbraw/zinc/83/08/99/451830899.db2.gz YTWINPCGZIEKTI-LJQANCHMSA-N 2 1 348.487 1.869 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)COc1ccccc1 ZINC000644563412 451865033 /nfs/dbraw/zinc/86/50/33/451865033.db2.gz LEEFZPZAXGINQV-MJGOQNOKSA-N 2 1 334.460 1.659 20 0 EDADMP CC(=O)NC[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639460533 451879671 /nfs/dbraw/zinc/87/96/71/451879671.db2.gz JIMUADCOJFYAKZ-PMACEKPBSA-N 2 1 345.487 1.472 20 0 EDADMP CC(=O)NC[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639460533 451879679 /nfs/dbraw/zinc/87/96/79/451879679.db2.gz JIMUADCOJFYAKZ-PMACEKPBSA-N 2 1 345.487 1.472 20 0 EDADMP CC(=O)NC[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639460533 451879682 /nfs/dbraw/zinc/87/96/82/451879682.db2.gz JIMUADCOJFYAKZ-PMACEKPBSA-N 2 1 345.487 1.472 20 0 EDADMP CC(=O)NC[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639460533 451879688 /nfs/dbraw/zinc/87/96/88/451879688.db2.gz JIMUADCOJFYAKZ-PMACEKPBSA-N 2 1 345.487 1.472 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000639473491 451885234 /nfs/dbraw/zinc/88/52/34/451885234.db2.gz KAOMBKGWIXUPNH-QGZVFWFLSA-N 2 1 328.497 1.331 20 0 EDADMP Cn1c2cc(C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)ccc2oc1=O ZINC000639353618 451842023 /nfs/dbraw/zinc/84/20/23/451842023.db2.gz VKRPVSWMWKGXJV-UHFFFAOYSA-N 2 1 333.432 1.456 20 0 EDADMP O[C@@]1(CN2CC[C@@](O)(C(F)(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639515806 451918457 /nfs/dbraw/zinc/91/84/57/451918457.db2.gz YHHUWSSAYNJTNX-HOTGVXAUSA-N 2 1 344.377 1.623 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000637532706 451931205 /nfs/dbraw/zinc/93/12/05/451931205.db2.gz JUMHPFZNOKSFFU-ROUUACIJSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000637532706 451931210 /nfs/dbraw/zinc/93/12/10/451931210.db2.gz JUMHPFZNOKSFFU-ROUUACIJSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000637532706 451931216 /nfs/dbraw/zinc/93/12/16/451931216.db2.gz JUMHPFZNOKSFFU-ROUUACIJSA-N 2 1 346.475 1.147 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC000653389689 451900328 /nfs/dbraw/zinc/90/03/28/451900328.db2.gz IKCBVWOWYFUTMA-INIZCTEOSA-N 2 1 340.512 1.071 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000653389689 451900333 /nfs/dbraw/zinc/90/03/33/451900333.db2.gz IKCBVWOWYFUTMA-INIZCTEOSA-N 2 1 340.512 1.071 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C[C@H](C)O1 ZINC000649284540 451958170 /nfs/dbraw/zinc/95/81/70/451958170.db2.gz FYRLPENOCYSKNW-DVOMOZLQSA-N 2 1 339.867 1.955 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000649304203 451980104 /nfs/dbraw/zinc/98/01/04/451980104.db2.gz NWLVQZWBBWWUTJ-WMZOPIPTSA-N 2 1 331.460 1.875 20 0 EDADMP COC[C@@]1(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000649311461 451989656 /nfs/dbraw/zinc/98/96/56/451989656.db2.gz RRPJNKBSKZGCTH-DNVCBOLYSA-N 2 1 331.460 1.318 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000649313780 451990756 /nfs/dbraw/zinc/99/07/56/451990756.db2.gz UAAVBSPXICVTIJ-SOUVJXGZSA-N 2 1 330.432 1.060 20 0 EDADMP CN(C(=O)[C@@]1(N)CC[N@@H+](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000649322833 452002415 /nfs/dbraw/zinc/00/24/15/452002415.db2.gz PABAAFNRRLTDCR-LJQANCHMSA-N 2 1 330.476 1.142 20 0 EDADMP CN(C(=O)[C@@]1([NH3+])CCN(C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000649322833 452002418 /nfs/dbraw/zinc/00/24/18/452002418.db2.gz PABAAFNRRLTDCR-LJQANCHMSA-N 2 1 330.476 1.142 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637660796 452002950 /nfs/dbraw/zinc/00/29/50/452002950.db2.gz GOFRUFMBHMMDFV-INIZCTEOSA-N 2 1 334.468 1.708 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@H](CC[NH3+])C(F)F)cc2)CC1 ZINC000649365051 452043492 /nfs/dbraw/zinc/04/34/92/452043492.db2.gz RATUTTRUIOFBNA-OAHLLOKOSA-N 2 1 340.418 1.146 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649370479 452048179 /nfs/dbraw/zinc/04/81/79/452048179.db2.gz PMJVJRKDKJLFAQ-ROUUACIJSA-N 2 1 343.471 1.678 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649370479 452048186 /nfs/dbraw/zinc/04/81/86/452048186.db2.gz PMJVJRKDKJLFAQ-ROUUACIJSA-N 2 1 343.471 1.678 20 0 EDADMP O=C(CN1CCC[N@@H+](CCCC2CC[NH2+]CC2)CC1)N1CCCC1 ZINC000649411574 452074387 /nfs/dbraw/zinc/07/43/87/452074387.db2.gz HWCRUVLPAGKDRK-UHFFFAOYSA-N 2 1 336.524 1.396 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000637856225 452116557 /nfs/dbraw/zinc/11/65/57/452116557.db2.gz JLRJRMHWAMMHQC-IBGZPJMESA-N 2 1 344.503 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000637856225 452116562 /nfs/dbraw/zinc/11/65/62/452116562.db2.gz JLRJRMHWAMMHQC-IBGZPJMESA-N 2 1 344.503 1.436 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000637860663 452118777 /nfs/dbraw/zinc/11/87/77/452118777.db2.gz CAUWJVAXBINFOG-GOSISDBHSA-N 2 1 332.492 1.294 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000637860663 452118780 /nfs/dbraw/zinc/11/87/80/452118780.db2.gz CAUWJVAXBINFOG-GOSISDBHSA-N 2 1 332.492 1.294 20 0 EDADMP O=C1CC[C@@H]2C[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CC[C@H]2N1 ZINC000639813800 452149145 /nfs/dbraw/zinc/14/91/45/452149145.db2.gz LEEZLKOCIGWIDZ-GGPKGHCWSA-N 2 1 343.471 1.224 20 0 EDADMP O=C1CC[C@@H]2C[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CC[C@H]2N1 ZINC000639813800 452149149 /nfs/dbraw/zinc/14/91/49/452149149.db2.gz LEEZLKOCIGWIDZ-GGPKGHCWSA-N 2 1 343.471 1.224 20 0 EDADMP O=C1CC[C@@H]2C[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC[C@H]2N1 ZINC000639813800 452149154 /nfs/dbraw/zinc/14/91/54/452149154.db2.gz LEEZLKOCIGWIDZ-GGPKGHCWSA-N 2 1 343.471 1.224 20 0 EDADMP O=C1CC[C@@H]2C[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC[C@H]2N1 ZINC000639813800 452149159 /nfs/dbraw/zinc/14/91/59/452149159.db2.gz LEEZLKOCIGWIDZ-GGPKGHCWSA-N 2 1 343.471 1.224 20 0 EDADMP [NH3+]C1(CC(=O)N2CCSCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000637905222 452155555 /nfs/dbraw/zinc/15/55/55/452155555.db2.gz MYZAHONJFFQSLU-UHFFFAOYSA-N 2 1 333.501 1.945 20 0 EDADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000637957094 452203420 /nfs/dbraw/zinc/20/34/20/452203420.db2.gz ZHEGAGQOELJLQV-UHFFFAOYSA-N 2 1 325.478 1.640 20 0 EDADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000637957094 452203427 /nfs/dbraw/zinc/20/34/27/452203427.db2.gz ZHEGAGQOELJLQV-UHFFFAOYSA-N 2 1 325.478 1.640 20 0 EDADMP CO[C@@]1(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCOC1 ZINC000637984699 452228283 /nfs/dbraw/zinc/22/82/83/452228283.db2.gz KQBXJILKBIXJRC-FGTMMUONSA-N 2 1 325.497 1.282 20 0 EDADMP CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000643454616 452231309 /nfs/dbraw/zinc/23/13/09/452231309.db2.gz SFNNFZZSVUEHCD-QZTJIDSGSA-N 2 1 345.468 1.970 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCC[C@@H]3[NH3+])c2)C1 ZINC000643462703 452234519 /nfs/dbraw/zinc/23/45/19/452234519.db2.gz HOQXNVVIZPJIIB-FGTMMUONSA-N 2 1 330.476 1.353 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])c2)C1 ZINC000643462703 452234523 /nfs/dbraw/zinc/23/45/23/452234523.db2.gz HOQXNVVIZPJIIB-FGTMMUONSA-N 3 1 330.476 1.353 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])c2)C1 ZINC000643462703 452234526 /nfs/dbraw/zinc/23/45/26/452234526.db2.gz HOQXNVVIZPJIIB-FGTMMUONSA-N 3 1 330.476 1.353 20 0 EDADMP CC[C@@H](C)[C@H](O)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637993526 452235477 /nfs/dbraw/zinc/23/54/77/452235477.db2.gz RXXOTVZJYMXBAK-SJLPKXTDSA-N 2 1 347.503 1.893 20 0 EDADMP Cc1nn2c(C[N@H+](C)CCN3CC[NH2+]CC3)c(C(C)C)nc2s1 ZINC000647492918 452236972 /nfs/dbraw/zinc/23/69/72/452236972.db2.gz IQYUQRBLYKHAQC-UHFFFAOYSA-N 2 1 336.509 1.560 20 0 EDADMP Cc1nn2c(C[N@@H+](C)CCN3CC[NH2+]CC3)c(C(C)C)nc2s1 ZINC000647492918 452236980 /nfs/dbraw/zinc/23/69/80/452236980.db2.gz IQYUQRBLYKHAQC-UHFFFAOYSA-N 2 1 336.509 1.560 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000647493032 452237015 /nfs/dbraw/zinc/23/70/15/452237015.db2.gz QECMBKGPSPTNPV-UHFFFAOYSA-N 2 1 335.402 1.692 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)cc2)CC1 ZINC000655449978 452246065 /nfs/dbraw/zinc/24/60/65/452246065.db2.gz YAELYFLJFXISFE-QUCCMNQESA-N 2 1 342.487 1.762 20 0 EDADMP COc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccn1 ZINC000663557306 452266288 /nfs/dbraw/zinc/26/62/88/452266288.db2.gz UKEKUMLAXRKUAD-AWEZNQCLSA-N 2 1 337.468 1.161 20 0 EDADMP COc1cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccn1 ZINC000663557306 452266296 /nfs/dbraw/zinc/26/62/96/452266296.db2.gz UKEKUMLAXRKUAD-AWEZNQCLSA-N 2 1 337.468 1.161 20 0 EDADMP O=C([C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1)N1CC[NH2+]CC1 ZINC000641796773 452273091 /nfs/dbraw/zinc/27/30/91/452273091.db2.gz KEYDMWYAKYODHC-IRXDYDNUSA-N 2 1 335.492 1.622 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000641798973 452275993 /nfs/dbraw/zinc/27/59/93/452275993.db2.gz SEJZYYPIQKMXKH-CABCVRRESA-N 2 1 334.464 1.626 20 0 EDADMP CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641803746 452280459 /nfs/dbraw/zinc/28/04/59/452280459.db2.gz GYLLTDHRWMAHFM-HZPDHXFCSA-N 2 1 346.475 1.823 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000659434077 452280773 /nfs/dbraw/zinc/28/07/73/452280773.db2.gz GSMAIQHJOULXNK-JKSUJKDBSA-N 2 1 333.480 1.104 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000641805576 452284207 /nfs/dbraw/zinc/28/42/07/452284207.db2.gz NXIINTVHODJXFP-KBPBESRZSA-N 2 1 348.838 1.575 20 0 EDADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000641809636 452287390 /nfs/dbraw/zinc/28/73/90/452287390.db2.gz XQJBRVYNMBEGMH-MAZHCROVSA-N 2 1 344.459 1.856 20 0 EDADMP CN(CCOc1ccc(Cl)cc1)C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641809362 452288724 /nfs/dbraw/zinc/28/87/24/452288724.db2.gz WOLKNDYNQSXDON-LSDHHAIUSA-N 2 1 339.867 1.893 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N(C)CC(C)(C)[NH3+])c2)CCO1 ZINC000659441803 452291721 /nfs/dbraw/zinc/29/17/21/452291721.db2.gz AKQLJRRDCOLXFH-OAHLLOKOSA-N 2 1 348.491 1.786 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N(C)CC(C)(C)[NH3+])c2)CCO1 ZINC000659441803 452291726 /nfs/dbraw/zinc/29/17/26/452291726.db2.gz AKQLJRRDCOLXFH-OAHLLOKOSA-N 2 1 348.491 1.786 20 0 EDADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643546726 452306538 /nfs/dbraw/zinc/30/65/38/452306538.db2.gz TXBOKWCBTJLKIX-HIFRSBDPSA-N 2 1 337.489 1.920 20 0 EDADMP CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000645336305 452315344 /nfs/dbraw/zinc/31/53/44/452315344.db2.gz LEDWFKQDGGMICN-UHFFFAOYSA-N 2 1 343.431 1.429 20 0 EDADMP CC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000639984684 452316492 /nfs/dbraw/zinc/31/64/92/452316492.db2.gz XSHDPZZZMBQYTI-OAHLLOKOSA-N 2 1 329.510 1.218 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000639987332 452317332 /nfs/dbraw/zinc/31/73/32/452317332.db2.gz BEHGXQWFVIMJSD-MSOLQXFVSA-N 2 1 340.508 1.883 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000659470899 452328571 /nfs/dbraw/zinc/32/85/71/452328571.db2.gz LKHQPOPGZVLJIH-USXIJHARSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000659470899 452328577 /nfs/dbraw/zinc/32/85/77/452328577.db2.gz LKHQPOPGZVLJIH-USXIJHARSA-N 2 1 338.496 1.127 20 0 EDADMP CCC[C@]1(CO)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665762960 452342874 /nfs/dbraw/zinc/34/28/74/452342874.db2.gz VOJHQHMRMQZRSR-WMZOPIPTSA-N 2 1 342.528 1.453 20 0 EDADMP CCC[C@]1(CO)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665762960 452342880 /nfs/dbraw/zinc/34/28/80/452342880.db2.gz VOJHQHMRMQZRSR-WMZOPIPTSA-N 2 1 342.528 1.453 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C[C@H](CC)O1 ZINC000665764069 452347826 /nfs/dbraw/zinc/34/78/26/452347826.db2.gz TVMMOHQUWOJBTN-YESZJQIVSA-N 2 1 342.528 1.857 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C[C@H](CC)O1 ZINC000665764069 452347837 /nfs/dbraw/zinc/34/78/37/452347837.db2.gz TVMMOHQUWOJBTN-YESZJQIVSA-N 2 1 342.528 1.857 20 0 EDADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000638059694 452351081 /nfs/dbraw/zinc/35/10/81/452351081.db2.gz WOAMWIQUOWNNDY-IEBWSBKVSA-N 2 1 331.460 1.140 20 0 EDADMP CC[C@]1(O)CCC[NH+](CC2(C[N@@H+]3CCC[C@@](O)(CC)C3)COC2)C1 ZINC000640035867 452371146 /nfs/dbraw/zinc/37/11/46/452371146.db2.gz ODXUABCXMAJVFX-OALUTQOASA-N 2 1 340.508 1.477 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000638071102 452376976 /nfs/dbraw/zinc/37/69/76/452376976.db2.gz FFBAXOXRTVUESX-FUHWJXTLSA-N 2 1 330.476 1.046 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638071102 452376986 /nfs/dbraw/zinc/37/69/86/452376986.db2.gz FFBAXOXRTVUESX-FUHWJXTLSA-N 2 1 330.476 1.046 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638071102 452376992 /nfs/dbraw/zinc/37/69/92/452376992.db2.gz FFBAXOXRTVUESX-FUHWJXTLSA-N 2 1 330.476 1.046 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638071102 452376998 /nfs/dbraw/zinc/37/69/98/452376998.db2.gz FFBAXOXRTVUESX-FUHWJXTLSA-N 2 1 330.476 1.046 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638071102 452377007 /nfs/dbraw/zinc/37/70/07/452377007.db2.gz FFBAXOXRTVUESX-FUHWJXTLSA-N 2 1 330.476 1.046 20 0 EDADMP COC[C@@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638071387 452381586 /nfs/dbraw/zinc/38/15/86/452381586.db2.gz IRNADELDRXVAAH-AZUAARDMSA-N 2 1 345.487 1.926 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000638080891 452397584 /nfs/dbraw/zinc/39/75/84/452397584.db2.gz YHTKHCIMDJSTQU-HKUYNNGSSA-N 2 1 333.476 1.910 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC[NH2+]1 ZINC000659545325 452403092 /nfs/dbraw/zinc/40/30/92/452403092.db2.gz ZSKNWVIVWVHUHV-FHLIZLRMSA-N 2 1 346.475 1.193 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000663687258 452425082 /nfs/dbraw/zinc/42/50/82/452425082.db2.gz JCGHMIYJWVWMIZ-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659575989 452430195 /nfs/dbraw/zinc/43/01/95/452430195.db2.gz XLMBXJJDEBMGDQ-RCCFBDPRSA-N 2 1 330.476 1.916 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@](O)(C2CC2)C1)c1ccccc1 ZINC000661629681 452450374 /nfs/dbraw/zinc/45/03/74/452450374.db2.gz ZZZBWRNZHIZQRM-QUCCMNQESA-N 2 1 345.487 1.642 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000661650131 452463244 /nfs/dbraw/zinc/46/32/44/452463244.db2.gz SFOBYEYGMWJWEW-UYAOXDASSA-N 2 1 331.504 1.956 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000661650131 452463250 /nfs/dbraw/zinc/46/32/50/452463250.db2.gz SFOBYEYGMWJWEW-UYAOXDASSA-N 2 1 331.504 1.956 20 0 EDADMP CC1(C)CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[NH2+]1 ZINC000659608250 452463468 /nfs/dbraw/zinc/46/34/68/452463468.db2.gz BNNIDYCZTYYALX-HUUCEWRRSA-N 2 1 336.480 1.023 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1)[NH+]1CCSCC1 ZINC000647764094 452497249 /nfs/dbraw/zinc/49/72/49/452497249.db2.gz QOFINQYSMNTAPZ-CABCVRRESA-N 2 1 341.521 1.135 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1)[NH+]1CCSCC1 ZINC000647764094 452497255 /nfs/dbraw/zinc/49/72/55/452497255.db2.gz QOFINQYSMNTAPZ-CABCVRRESA-N 2 1 341.521 1.135 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)C1 ZINC000652339783 452510014 /nfs/dbraw/zinc/51/00/14/452510014.db2.gz MLPFWVSYHWTGSE-FQEVSTJZSA-N 2 1 328.504 1.544 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)C1 ZINC000652339783 452510018 /nfs/dbraw/zinc/51/00/18/452510018.db2.gz MLPFWVSYHWTGSE-FQEVSTJZSA-N 3 1 328.504 1.544 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)C1 ZINC000652339783 452510024 /nfs/dbraw/zinc/51/00/24/452510024.db2.gz MLPFWVSYHWTGSE-FQEVSTJZSA-N 3 1 328.504 1.544 20 0 EDADMP Cc1cccc(C(=O)NCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655698120 452519856 /nfs/dbraw/zinc/51/98/56/452519856.db2.gz WXPWYDHWVLPOPC-GOSISDBHSA-N 2 1 331.460 1.568 20 0 EDADMP CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347697 452523330 /nfs/dbraw/zinc/52/33/30/452523330.db2.gz JRXLXIRPVLWNMC-XHSDSOJGSA-N 2 1 325.497 1.757 20 0 EDADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655707498 452525871 /nfs/dbraw/zinc/52/58/71/452525871.db2.gz WGHWMOCYFLDGGZ-OALUTQOASA-N 2 1 348.487 1.886 20 0 EDADMP CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000652348865 452526773 /nfs/dbraw/zinc/52/67/73/452526773.db2.gz UHNHATUTGCIMGO-LXTVHRRPSA-N 2 1 338.452 1.885 20 0 EDADMP CCO[C@H](C)c1noc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000652348865 452526781 /nfs/dbraw/zinc/52/67/81/452526781.db2.gz UHNHATUTGCIMGO-LXTVHRRPSA-N 2 1 338.452 1.885 20 0 EDADMP CCOc1ccccc1NC(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652356439 452534549 /nfs/dbraw/zinc/53/45/49/452534549.db2.gz JMYJYUOYKLJSGG-RHSMWYFYSA-N 2 1 335.448 1.710 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCSC1 ZINC000654473722 452540639 /nfs/dbraw/zinc/54/06/39/452540639.db2.gz UAMFLICLRBUDRQ-VYDXJSESSA-N 2 1 340.537 1.740 20 0 EDADMP COc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360956 452542825 /nfs/dbraw/zinc/54/28/25/452542825.db2.gz VCJXAUZWJPPXTQ-LESCRADOSA-N 2 1 347.459 1.995 20 0 EDADMP COc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360956 452542829 /nfs/dbraw/zinc/54/28/29/452542829.db2.gz VCJXAUZWJPPXTQ-LESCRADOSA-N 2 1 347.459 1.995 20 0 EDADMP C[C@@H](Cn1cncn1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000657817441 452550121 /nfs/dbraw/zinc/55/01/21/452550121.db2.gz OGYMPYLJIAWYMG-LSDHHAIUSA-N 2 1 334.493 1.306 20 0 EDADMP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000647835092 452570562 /nfs/dbraw/zinc/57/05/62/452570562.db2.gz MMQFOMQRDDETTI-HUUCEWRRSA-N 2 1 336.455 1.228 20 0 EDADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000647835092 452570567 /nfs/dbraw/zinc/57/05/67/452570567.db2.gz MMQFOMQRDDETTI-HUUCEWRRSA-N 2 1 336.455 1.228 20 0 EDADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655781096 452575373 /nfs/dbraw/zinc/57/53/73/452575373.db2.gz SQACUMKYRMZICL-SJLPKXTDSA-N 2 1 345.487 1.996 20 0 EDADMP CCOC1CCC([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000657883697 452590655 /nfs/dbraw/zinc/59/06/55/452590655.db2.gz FMYZPFYIWQXMOA-LXPRWKDFSA-N 2 1 325.497 1.330 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964294 452746639 /nfs/dbraw/zinc/74/66/39/452746639.db2.gz YZADDPGYOYODNX-PNBKFKSVSA-N 2 1 334.464 1.483 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964294 452746647 /nfs/dbraw/zinc/74/66/47/452746647.db2.gz YZADDPGYOYODNX-PNBKFKSVSA-N 2 1 334.464 1.483 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652762 452756717 /nfs/dbraw/zinc/75/67/17/452756717.db2.gz QRXDZPMWZWQFCD-NRKLIOEPSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652762 452756720 /nfs/dbraw/zinc/75/67/20/452756720.db2.gz QRXDZPMWZWQFCD-NRKLIOEPSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652762 452756729 /nfs/dbraw/zinc/75/67/29/452756729.db2.gz QRXDZPMWZWQFCD-NRKLIOEPSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652762 452756737 /nfs/dbraw/zinc/75/67/37/452756737.db2.gz QRXDZPMWZWQFCD-NRKLIOEPSA-N 2 1 338.496 1.220 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000654664577 452779105 /nfs/dbraw/zinc/77/91/05/452779105.db2.gz CWWSVHSXSJQPIB-OTWHNJEPSA-N 2 1 344.503 1.895 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000654664577 452779107 /nfs/dbraw/zinc/77/91/07/452779107.db2.gz CWWSVHSXSJQPIB-OTWHNJEPSA-N 2 1 344.503 1.895 20 0 EDADMP CNC(=O)CC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCCC1 ZINC000658306613 452837429 /nfs/dbraw/zinc/83/74/29/452837429.db2.gz FOPSWKZIFAOMOI-QGZVFWFLSA-N 2 1 337.508 1.916 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000654726529 452842209 /nfs/dbraw/zinc/84/22/09/452842209.db2.gz ULTXGCQYAOGOKL-MSOLQXFVSA-N 2 1 343.475 1.930 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)[C@@H](C)C1 ZINC000654734432 452859578 /nfs/dbraw/zinc/85/95/78/452859578.db2.gz KWOGLZBEAHIERO-MWDXBVQZSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@@H](C)C1 ZINC000654734432 452859586 /nfs/dbraw/zinc/85/95/86/452859586.db2.gz KWOGLZBEAHIERO-MWDXBVQZSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)[C@@H](C)C1 ZINC000654734432 452859592 /nfs/dbraw/zinc/85/95/92/452859592.db2.gz KWOGLZBEAHIERO-MWDXBVQZSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC000648168101 452881406 /nfs/dbraw/zinc/88/14/06/452881406.db2.gz VCPDIBKTNXLQTH-XXQMMXQMSA-N 2 1 327.472 1.869 20 0 EDADMP CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000648175891 452887509 /nfs/dbraw/zinc/88/75/09/452887509.db2.gz AJRKTBDQUQBTDE-HDMKZQKVSA-N 2 1 335.496 1.635 20 0 EDADMP COc1ccc(NC(=O)CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662153387 452887722 /nfs/dbraw/zinc/88/77/22/452887722.db2.gz RAOPJPDJBYCTSJ-QGZVFWFLSA-N 2 1 347.459 1.555 20 0 EDADMP COc1ccc(NC(=O)CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662153387 452887730 /nfs/dbraw/zinc/88/77/30/452887730.db2.gz RAOPJPDJBYCTSJ-QGZVFWFLSA-N 2 1 347.459 1.555 20 0 EDADMP COc1ccc(OCCC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662155103 452891993 /nfs/dbraw/zinc/89/19/93/452891993.db2.gz HOVKHYJVDZXSRY-QGZVFWFLSA-N 2 1 334.460 1.995 20 0 EDADMP COc1ccc(OCCC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662155103 452891994 /nfs/dbraw/zinc/89/19/94/452891994.db2.gz HOVKHYJVDZXSRY-QGZVFWFLSA-N 2 1 334.460 1.995 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000664217075 452892495 /nfs/dbraw/zinc/89/24/95/452892495.db2.gz KAWKMESTEYMORZ-ARFHVFGLSA-N 2 1 327.517 1.040 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000664217075 452892503 /nfs/dbraw/zinc/89/25/03/452892503.db2.gz KAWKMESTEYMORZ-ARFHVFGLSA-N 3 1 327.517 1.040 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000664217075 452892511 /nfs/dbraw/zinc/89/25/11/452892511.db2.gz KAWKMESTEYMORZ-ARFHVFGLSA-N 3 1 327.517 1.040 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000664217075 452892516 /nfs/dbraw/zinc/89/25/16/452892516.db2.gz KAWKMESTEYMORZ-ARFHVFGLSA-N 3 1 327.517 1.040 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000664217075 452892522 /nfs/dbraw/zinc/89/25/22/452892522.db2.gz KAWKMESTEYMORZ-ARFHVFGLSA-N 3 1 327.517 1.040 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000664217077 452892816 /nfs/dbraw/zinc/89/28/16/452892816.db2.gz KAWKMESTEYMORZ-JYJNAYRXSA-N 2 1 327.517 1.040 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000664217077 452892819 /nfs/dbraw/zinc/89/28/19/452892819.db2.gz KAWKMESTEYMORZ-JYJNAYRXSA-N 3 1 327.517 1.040 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000664217077 452892821 /nfs/dbraw/zinc/89/28/21/452892821.db2.gz KAWKMESTEYMORZ-JYJNAYRXSA-N 3 1 327.517 1.040 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000664217077 452892822 /nfs/dbraw/zinc/89/28/22/452892822.db2.gz KAWKMESTEYMORZ-JYJNAYRXSA-N 3 1 327.517 1.040 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000664217077 452892823 /nfs/dbraw/zinc/89/28/23/452892823.db2.gz KAWKMESTEYMORZ-JYJNAYRXSA-N 3 1 327.517 1.040 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cn(-c4ccccc4)nn3)C2)C1 ZINC000650706494 452943980 /nfs/dbraw/zinc/94/39/80/452943980.db2.gz LWYBFNCUCJDEAL-FRQCXROJSA-N 2 1 341.459 1.986 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cn(-c4ccccc4)nn3)C2)C1 ZINC000650706494 452943984 /nfs/dbraw/zinc/94/39/84/452943984.db2.gz LWYBFNCUCJDEAL-FRQCXROJSA-N 2 1 341.459 1.986 20 0 EDADMP [NH3+]Cc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)s2)c(F)c1 ZINC000650718516 452949492 /nfs/dbraw/zinc/94/94/92/452949492.db2.gz PWKLSFGJOITQDO-UHFFFAOYSA-N 2 1 336.436 1.867 20 0 EDADMP COc1ccc(CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1F ZINC000662258133 452986266 /nfs/dbraw/zinc/98/62/66/452986266.db2.gz IKNLBLLQYJBCIP-MRXNPFEDSA-N 2 1 349.450 1.473 20 0 EDADMP COc1ccc(C)cc1CN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261271 452991000 /nfs/dbraw/zinc/99/10/00/452991000.db2.gz WCGYWKYQFQFXHI-GOSISDBHSA-N 2 1 345.487 1.642 20 0 EDADMP CC(C)NC(=O)[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000662316610 453033183 /nfs/dbraw/zinc/03/31/83/453033183.db2.gz KKHHIORSFPQBGU-BZSNNMDCSA-N 2 1 333.476 1.154 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000664369092 453039327 /nfs/dbraw/zinc/03/93/27/453039327.db2.gz YKUFUJPBORABBO-XHSDSOJGSA-N 2 1 339.528 1.183 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000664369092 453039338 /nfs/dbraw/zinc/03/93/38/453039338.db2.gz YKUFUJPBORABBO-XHSDSOJGSA-N 3 1 339.528 1.183 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000664369092 453039346 /nfs/dbraw/zinc/03/93/46/453039346.db2.gz YKUFUJPBORABBO-XHSDSOJGSA-N 3 1 339.528 1.183 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000664369092 453039355 /nfs/dbraw/zinc/03/93/55/453039355.db2.gz YKUFUJPBORABBO-XHSDSOJGSA-N 3 1 339.528 1.183 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000664369092 453039362 /nfs/dbraw/zinc/03/93/62/453039362.db2.gz YKUFUJPBORABBO-XHSDSOJGSA-N 3 1 339.528 1.183 20 0 EDADMP Cc1nc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)co1 ZINC000662338004 453056769 /nfs/dbraw/zinc/05/67/69/453056769.db2.gz OSXFKRGAQNSVLL-CQSZACIVSA-N 2 1 330.436 1.495 20 0 EDADMP Cc1nc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)co1 ZINC000662338004 453056773 /nfs/dbraw/zinc/05/67/73/453056773.db2.gz OSXFKRGAQNSVLL-CQSZACIVSA-N 2 1 330.436 1.495 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662352109 453068263 /nfs/dbraw/zinc/06/82/63/453068263.db2.gz UKVOONDFWHTUOJ-FUHWJXTLSA-N 2 1 331.460 1.694 20 0 EDADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103271 453103035 /nfs/dbraw/zinc/10/30/35/453103035.db2.gz NEQZVHNMNRPZOI-QGZVFWFLSA-N 2 1 334.460 1.531 20 0 EDADMP [NH3+][C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Br ZINC000662409136 453120689 /nfs/dbraw/zinc/12/06/89/453120689.db2.gz DWKRBBKNYXWSHH-QMTHXVAHSA-N 2 1 338.249 1.802 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662426871 453135954 /nfs/dbraw/zinc/13/59/54/453135954.db2.gz GHVQIZFZLTWJJE-QMMMGPOBSA-N 2 1 344.278 1.938 20 0 EDADMP CC(C)(C)[NH2+]CCNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662468043 453178370 /nfs/dbraw/zinc/17/83/70/453178370.db2.gz NBVYWGNXRNHKSS-GFCCVEGCSA-N 2 1 328.254 1.953 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000660296614 453184298 /nfs/dbraw/zinc/18/42/98/453184298.db2.gz DDJCUNMHOLOWTD-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000660296614 453184306 /nfs/dbraw/zinc/18/43/06/453184306.db2.gz DDJCUNMHOLOWTD-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@](C)(CO)C(C)C)CC2)CC1 ZINC000655091082 453212756 /nfs/dbraw/zinc/21/27/56/453212756.db2.gz NGDJNSFNXGUSPE-IBGZPJMESA-N 2 1 339.524 1.706 20 0 EDADMP CC[C@@H](CNC(=O)[C@@H]([NH3+])COC(C)C)[N@H+]1CCc2ccccc2C1 ZINC000662523779 453243610 /nfs/dbraw/zinc/24/36/10/453243610.db2.gz DWEQNZNPLUYJFV-ROUUACIJSA-N 2 1 333.476 1.692 20 0 EDADMP C[N@@H+](CCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662525560 453245089 /nfs/dbraw/zinc/24/50/89/453245089.db2.gz IGFPXAHBFMZBLR-CQSZACIVSA-N 2 1 333.480 1.871 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC000648777059 453256671 /nfs/dbraw/zinc/25/66/71/453256671.db2.gz GSIXSFRTWMZHBI-VNQPRFMTSA-N 2 1 331.464 1.519 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC000648777059 453256682 /nfs/dbraw/zinc/25/66/82/453256682.db2.gz GSIXSFRTWMZHBI-VNQPRFMTSA-N 2 1 331.464 1.519 20 0 EDADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000662561636 453289582 /nfs/dbraw/zinc/28/95/82/453289582.db2.gz PKZGMCQRLFQOFM-AWEZNQCLSA-N 2 1 328.441 1.576 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](NC(=O)COCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000646297013 453295449 /nfs/dbraw/zinc/29/54/49/453295449.db2.gz BHXGAEGMGQTOGR-RDJZCZTQSA-N 2 1 341.402 1.580 20 0 EDADMP CC(C)[N@H+]1CC[C@H](NC(=O)COCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000646297013 453295456 /nfs/dbraw/zinc/29/54/56/453295456.db2.gz BHXGAEGMGQTOGR-RDJZCZTQSA-N 2 1 341.402 1.580 20 0 EDADMP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH+](CCc2cccs2)CC1 ZINC000653110779 453295595 /nfs/dbraw/zinc/29/55/95/453295595.db2.gz UHSFUNORPGTWNZ-IAGOWNOFSA-N 2 1 333.501 1.965 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662570429 453296124 /nfs/dbraw/zinc/29/61/24/453296124.db2.gz KQCMWYBFXAEXQO-YUMQZZPRSA-N 2 1 344.278 1.971 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H]1c1cccs1 ZINC000653121993 453313838 /nfs/dbraw/zinc/31/38/38/453313838.db2.gz IEOYFMFVLVDGRJ-DNUAJFIVSA-N 2 1 349.500 1.483 20 0 EDADMP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000648834427 453315333 /nfs/dbraw/zinc/31/53/33/453315333.db2.gz CFUAHJXPSBBVLZ-SJLPKXTDSA-N 2 1 336.524 1.344 20 0 EDADMP C[C@H](C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1)[NH+]1CCCCCC1 ZINC000646321713 453317523 /nfs/dbraw/zinc/31/75/23/453317523.db2.gz OTHQLSSEPPLOQL-DLBZAZTESA-N 2 1 337.508 1.963 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653124900 453319290 /nfs/dbraw/zinc/31/92/90/453319290.db2.gz LQCZVQOSFSDWDJ-SFHVURJKSA-N 2 1 344.503 1.657 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000653154522 453344989 /nfs/dbraw/zinc/34/49/89/453344989.db2.gz UXCHJEIZSBJFSB-HRCADAONSA-N 2 1 338.883 1.480 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000653154522 453344997 /nfs/dbraw/zinc/34/49/97/453344997.db2.gz UXCHJEIZSBJFSB-HRCADAONSA-N 2 1 338.883 1.480 20 0 EDADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000653247174 453431860 /nfs/dbraw/zinc/43/18/60/453431860.db2.gz ONURZZWTEBBTQN-FGTMMUONSA-N 2 1 331.460 1.473 20 0 EDADMP C[N@@H+]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)[C@H](Cc2ccccc2)C1 ZINC000653253812 453437157 /nfs/dbraw/zinc/43/71/57/453437157.db2.gz BAVOOKMEQJGYRT-QZTJIDSGSA-N 2 1 327.472 1.761 20 0 EDADMP C[N@H+]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)[C@H](Cc2ccccc2)C1 ZINC000653253812 453437168 /nfs/dbraw/zinc/43/71/68/453437168.db2.gz BAVOOKMEQJGYRT-QZTJIDSGSA-N 2 1 327.472 1.761 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NCC34CC(C3)C[NH2+]4)cc2F)CC1 ZINC000662719236 453443084 /nfs/dbraw/zinc/44/30/84/453443084.db2.gz CXHJHNVLDYJBEH-UHFFFAOYSA-N 2 1 346.450 1.449 20 0 EDADMP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000655327465 453451346 /nfs/dbraw/zinc/45/13/46/453451346.db2.gz CPEOFHPHQLCKFZ-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000655327465 453451349 /nfs/dbraw/zinc/45/13/49/453451349.db2.gz CPEOFHPHQLCKFZ-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CCC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000655327465 453451355 /nfs/dbraw/zinc/45/13/55/453451355.db2.gz CPEOFHPHQLCKFZ-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CCC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000655327465 453451361 /nfs/dbraw/zinc/45/13/61/453451361.db2.gz CPEOFHPHQLCKFZ-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000662730627 453457421 /nfs/dbraw/zinc/45/74/21/453457421.db2.gz LMLZGWFRXMWILN-JEQQUTEPSA-N 2 1 343.471 1.662 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ccn1 ZINC000655352668 453471820 /nfs/dbraw/zinc/47/18/20/453471820.db2.gz OAAYTBPPTPLXLK-IRXDYDNUSA-N 2 1 346.475 1.769 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662749402 453480064 /nfs/dbraw/zinc/48/00/64/453480064.db2.gz LJIZQHNDYXDBPP-CABCVRRESA-N 2 1 334.468 1.007 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662749922 453481846 /nfs/dbraw/zinc/48/18/46/453481846.db2.gz IKQYPQLUJACAPN-GUDVDZBRSA-N 2 1 345.487 1.721 20 0 EDADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660657894 453494401 /nfs/dbraw/zinc/49/44/01/453494401.db2.gz BUJBXZZXFIVVBF-DNVCBOLYSA-N 2 1 348.443 1.573 20 0 EDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660657894 453494409 /nfs/dbraw/zinc/49/44/09/453494409.db2.gz BUJBXZZXFIVVBF-DNVCBOLYSA-N 2 1 348.443 1.573 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660657894 453494417 /nfs/dbraw/zinc/49/44/17/453494417.db2.gz BUJBXZZXFIVVBF-DNVCBOLYSA-N 2 1 348.443 1.573 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660657894 453494421 /nfs/dbraw/zinc/49/44/21/453494421.db2.gz BUJBXZZXFIVVBF-DNVCBOLYSA-N 2 1 348.443 1.573 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000662757300 453496196 /nfs/dbraw/zinc/49/61/96/453496196.db2.gz LCGXYIVSOSMAMZ-SFHVURJKSA-N 2 1 346.519 1.936 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659032641 453590095 /nfs/dbraw/zinc/59/00/95/453590095.db2.gz RPCTVKXJMQRSJG-MRXNPFEDSA-N 2 1 329.404 1.674 20 0 EDADMP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3C[N@H+]4CCN3CCC4)cc21 ZINC000662907943 453597659 /nfs/dbraw/zinc/59/76/59/453597659.db2.gz RGMYNGIKWCDSJW-ROUUACIJSA-N 2 1 342.487 1.185 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659044995 453597611 /nfs/dbraw/zinc/59/76/11/453597611.db2.gz UBPLKZUJIHBFSE-IRXDYDNUSA-N 2 1 332.448 1.905 20 0 EDADMP C[N@@H+](CCNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000660841315 453600439 /nfs/dbraw/zinc/60/04/39/453600439.db2.gz OMKBAVOEFLRZPO-UHFFFAOYSA-N 2 1 345.491 1.687 20 0 EDADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000665234564 453618806 /nfs/dbraw/zinc/61/88/06/453618806.db2.gz GCLJNSQIZGCJCC-FRRDWIJNSA-N 2 1 330.354 1.742 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cnccc1N ZINC000665240316 453619938 /nfs/dbraw/zinc/61/99/38/453619938.db2.gz IBNLBZMRBRKUHD-RHSMWYFYSA-N 2 1 326.444 1.912 20 0 EDADMP CC[C@@H](NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000665285635 453635778 /nfs/dbraw/zinc/63/57/78/453635778.db2.gz SETBQRWUPHCIAN-AQNXPRMDSA-N 2 1 330.520 1.923 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000659103520 453636432 /nfs/dbraw/zinc/63/64/32/453636432.db2.gz RWYGMJBXFNNFBP-ZDUSSCGKSA-N 2 1 348.422 1.010 20 0 EDADMP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(OC)c(OC)c1 ZINC000665290837 453637993 /nfs/dbraw/zinc/63/79/93/453637993.db2.gz MHPMZMKMCJOVSY-CYBMUJFWSA-N 2 1 332.404 1.899 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000665290848 453638350 /nfs/dbraw/zinc/63/83/50/453638350.db2.gz MNODMQNJUMISEZ-UKRRQHHQSA-N 2 1 327.432 1.566 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000659264010 453691281 /nfs/dbraw/zinc/69/12/81/453691281.db2.gz IROQEVZFOCLUFE-DZKIICNBSA-N 2 1 339.505 2.000 20 0 EDADMP C[NH2+]C[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000663509797 453812953 /nfs/dbraw/zinc/81/29/53/453812953.db2.gz MEPUHFPNMALKDI-ZDUSSCGKSA-N 2 1 341.477 1.046 20 0 EDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[NH2+]1 ZINC000663512509 453813599 /nfs/dbraw/zinc/81/35/99/453813599.db2.gz NUMUHUPWEHETJE-IXDOHACOSA-N 3 1 346.523 1.387 20 0 EDADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676304807 486728324 /nfs/dbraw/zinc/72/83/24/486728324.db2.gz MQYNYZRYJCPABL-NVXWUHKLSA-N 2 1 340.512 1.469 20 0 EDADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676304807 486728325 /nfs/dbraw/zinc/72/83/25/486728325.db2.gz MQYNYZRYJCPABL-NVXWUHKLSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H](CCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCCC1 ZINC000680292842 486741464 /nfs/dbraw/zinc/74/14/64/486741464.db2.gz WOWPGCRMLRVWPB-PMPSAXMXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](CCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCCC1 ZINC000680292842 486741467 /nfs/dbraw/zinc/74/14/67/486741467.db2.gz WOWPGCRMLRVWPB-PMPSAXMXSA-N 2 1 326.485 1.269 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000417990267 486820510 /nfs/dbraw/zinc/82/05/10/486820510.db2.gz KHADACQQKOLCBG-KURKYZTESA-N 2 1 346.475 1.322 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCC[C@@H]3CCOC3)CC2)CC1 ZINC000683889559 486854252 /nfs/dbraw/zinc/85/42/52/486854252.db2.gz KEVYXUXWUQERMB-GOSISDBHSA-N 2 1 337.508 1.679 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C1 ZINC000684116508 486949996 /nfs/dbraw/zinc/94/99/96/486949996.db2.gz HNMXYABPCFEPAQ-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000684116508 486950000 /nfs/dbraw/zinc/95/00/00/486950000.db2.gz HNMXYABPCFEPAQ-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000684116508 486950003 /nfs/dbraw/zinc/95/00/03/486950003.db2.gz HNMXYABPCFEPAQ-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)C[NH+]1CCOCC1 ZINC000667837866 486987021 /nfs/dbraw/zinc/98/70/21/486987021.db2.gz SXZUPQHEULSABO-AWEZNQCLSA-N 2 1 348.447 1.258 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000673530237 487049175 /nfs/dbraw/zinc/04/91/75/487049175.db2.gz DZOVCLHIXCDJAF-OALUTQOASA-N 2 1 345.487 1.614 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000673530237 487049178 /nfs/dbraw/zinc/04/91/78/487049178.db2.gz DZOVCLHIXCDJAF-OALUTQOASA-N 2 1 345.487 1.614 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cn(C2CCC2)nn1 ZINC000668159817 487124670 /nfs/dbraw/zinc/12/46/70/487124670.db2.gz IEMBKHJHXMXGFT-GOSISDBHSA-N 2 1 334.512 1.851 20 0 EDADMP CN(Cc1cccc(NS(C)(=O)=O)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000678153160 487258589 /nfs/dbraw/zinc/25/85/89/487258589.db2.gz GFLPIXVDQKHAPQ-OAHLLOKOSA-N 2 1 325.478 1.832 20 0 EDADMP C[NH+](Cc1cccc(NS(C)(=O)=O)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000678153160 487258599 /nfs/dbraw/zinc/25/85/99/487258599.db2.gz GFLPIXVDQKHAPQ-OAHLLOKOSA-N 2 1 325.478 1.832 20 0 EDADMP C[NH+](Cc1cccc(NS(C)(=O)=O)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000678153160 487258602 /nfs/dbraw/zinc/25/86/02/487258602.db2.gz GFLPIXVDQKHAPQ-OAHLLOKOSA-N 2 1 325.478 1.832 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000685925103 487346119 /nfs/dbraw/zinc/34/61/19/487346119.db2.gz CINWVZJDJZMKID-IKGGRYGDSA-N 2 1 342.528 1.905 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000675196483 487388456 /nfs/dbraw/zinc/38/84/56/487388456.db2.gz BIJNUQSDMFZVGH-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H](C[C@H]1CCOC1)NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000675430214 487407046 /nfs/dbraw/zinc/40/70/46/487407046.db2.gz GUJKIPYTCUKXOQ-JKSUJKDBSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](C[C@H]1CCOC1)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000675430214 487407047 /nfs/dbraw/zinc/40/70/47/487407047.db2.gz GUJKIPYTCUKXOQ-JKSUJKDBSA-N 2 1 340.512 1.469 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000679825161 487466419 /nfs/dbraw/zinc/46/64/19/487466419.db2.gz DVXAEPZCCAGMNH-QZTJIDSGSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000679825161 487466421 /nfs/dbraw/zinc/46/64/21/487466421.db2.gz DVXAEPZCCAGMNH-QZTJIDSGSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000679825161 487466422 /nfs/dbraw/zinc/46/64/22/487466422.db2.gz DVXAEPZCCAGMNH-QZTJIDSGSA-N 2 1 331.460 1.354 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000119093330 485498628 /nfs/dbraw/zinc/49/86/28/485498628.db2.gz GNYXHHKLFYYUBU-INIZCTEOSA-N 2 1 331.464 1.706 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000119093330 485498634 /nfs/dbraw/zinc/49/86/34/485498634.db2.gz GNYXHHKLFYYUBU-INIZCTEOSA-N 2 1 331.464 1.706 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538610 485520079 /nfs/dbraw/zinc/52/00/79/485520079.db2.gz ZKAFNDQYFZKJDF-QAETUUGQSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538610 485520087 /nfs/dbraw/zinc/52/00/87/485520087.db2.gz ZKAFNDQYFZKJDF-QAETUUGQSA-N 2 1 338.496 1.127 20 0 EDADMP COCC[NH2+]CCNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000669555694 485558071 /nfs/dbraw/zinc/55/80/71/485558071.db2.gz AYEWJKQNIABGQK-UHFFFAOYSA-N 2 1 335.452 1.025 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000669557873 485563100 /nfs/dbraw/zinc/56/31/00/485563100.db2.gz JVKBIZLDLSZIJG-RRQVMCLOSA-N 2 1 340.471 1.414 20 0 EDADMP [NH3+]C/C=C/CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000669570237 485588627 /nfs/dbraw/zinc/58/86/27/485588627.db2.gz DMHOGLRYYBJXBW-DWTRPJMMSA-N 2 1 334.489 1.418 20 0 EDADMP [NH3+]C/C=C/CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000669570237 485588636 /nfs/dbraw/zinc/58/86/36/485588636.db2.gz DMHOGLRYYBJXBW-DWTRPJMMSA-N 2 1 334.489 1.418 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)NC/C=C\C[NH3+])CC1 ZINC000669236536 485846486 /nfs/dbraw/zinc/84/64/86/485846486.db2.gz ZAQICKMSZXCUNF-WAYWQWQTSA-N 2 1 345.491 1.138 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000237138869 485954129 /nfs/dbraw/zinc/95/41/29/485954129.db2.gz ICISXQGPHJDLPS-MSOLQXFVSA-N 2 1 330.476 1.394 20 0 EDADMP Cc1cc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000397542412 485992207 /nfs/dbraw/zinc/99/22/07/485992207.db2.gz BQJYOWRNSGJCTJ-UHFFFAOYSA-N 2 1 326.444 1.954 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000669413144 486118004 /nfs/dbraw/zinc/11/80/04/486118004.db2.gz NLTKOUJFVPBDHR-VIKVFOODSA-N 2 1 329.379 1.337 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000668809845 486219230 /nfs/dbraw/zinc/21/92/30/486219230.db2.gz DIKUTDHZCWVPDX-NVXWUHKLSA-N 2 1 334.464 1.266 20 0 EDADMP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000669491383 486263284 /nfs/dbraw/zinc/26/32/84/486263284.db2.gz XAELWRLKVIWZNF-IRXDYDNUSA-N 2 1 329.448 1.222 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000669491383 486263287 /nfs/dbraw/zinc/26/32/87/486263287.db2.gz XAELWRLKVIWZNF-IRXDYDNUSA-N 2 1 329.448 1.222 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(c2nnc([C@@H]3C[NH+]4CCC[C@@H]4CO3)n2C)C[C@H]1C ZINC000668931830 486357751 /nfs/dbraw/zinc/35/77/51/486357751.db2.gz PKJHLKBEHJGRQW-FPCVCCKLSA-N 2 1 348.495 1.270 20 0 EDADMP CC[NH+]1C[C@@H](C)N(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2C)C[C@H]1C ZINC000668931830 486357753 /nfs/dbraw/zinc/35/77/53/486357753.db2.gz PKJHLKBEHJGRQW-FPCVCCKLSA-N 2 1 348.495 1.270 20 0 EDADMP CC[NH+]1C[C@@H](C)N(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2C)C[C@H]1C ZINC000668931830 486357756 /nfs/dbraw/zinc/35/77/56/486357756.db2.gz PKJHLKBEHJGRQW-FPCVCCKLSA-N 2 1 348.495 1.270 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000339610722 535065742 /nfs/dbraw/zinc/06/57/42/535065742.db2.gz GGEGSCHMYRVTOR-INIZCTEOSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000246507707 535123506 /nfs/dbraw/zinc/12/35/06/535123506.db2.gz QHXGKCVQVJVUEK-NXHRZFHOSA-N 2 1 333.476 1.796 20 0 EDADMP CC(C)[C@@]1(CO)CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000339701749 535317559 /nfs/dbraw/zinc/31/75/59/535317559.db2.gz NNTZADNGPFYVKZ-IBGZPJMESA-N 2 1 337.508 1.460 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])[C@@H](C)C1 ZINC000340115342 535523439 /nfs/dbraw/zinc/52/34/39/535523439.db2.gz YULFYWIHTOMSKO-NXOAAHMSSA-N 2 1 325.497 1.615 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000262716359 535528915 /nfs/dbraw/zinc/52/89/15/535528915.db2.gz VNGFKGUMFPFTTB-QFBILLFUSA-N 2 1 332.492 1.831 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262392587 535770901 /nfs/dbraw/zinc/77/09/01/535770901.db2.gz OKFGDGCANCOBKB-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH2+][C@@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)c1cnn(C)c1 ZINC000262025721 536336243 /nfs/dbraw/zinc/33/62/43/536336243.db2.gz ACEHYOGCYJOFNY-IAGOWNOFSA-N 2 1 345.447 1.108 20 0 EDADMP C[NH2+][C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000261982186 536379178 /nfs/dbraw/zinc/37/91/78/536379178.db2.gz ILRNJBCCOWYZOA-SFHVURJKSA-N 2 1 341.459 1.415 20 0 EDADMP C[NH2+][C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000261982186 536379182 /nfs/dbraw/zinc/37/91/82/536379182.db2.gz ILRNJBCCOWYZOA-SFHVURJKSA-N 2 1 341.459 1.415 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)CC1 ZINC000346708932 536401849 /nfs/dbraw/zinc/40/18/49/536401849.db2.gz SHRXYHYWFCFMOY-ZHALLVOQSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)CC1 ZINC000346708932 536401852 /nfs/dbraw/zinc/40/18/52/536401852.db2.gz SHRXYHYWFCFMOY-ZHALLVOQSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CCCC(=O)OC(C)(C)C)cn2)CC1 ZINC000344717514 536427310 /nfs/dbraw/zinc/42/73/10/536427310.db2.gz AWDIFUWZPJOMMH-UHFFFAOYSA-N 2 1 349.479 1.440 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000262823497 536560177 /nfs/dbraw/zinc/56/01/77/536560177.db2.gz XMSLQUZRNRWSFQ-UXLLHSPISA-N 2 1 341.496 1.088 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000246747493 536769106 /nfs/dbraw/zinc/76/91/06/536769106.db2.gz ZNKCSAMWJBPCSS-HOTGVXAUSA-N 2 1 347.459 1.394 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000246747493 536769110 /nfs/dbraw/zinc/76/91/10/536769110.db2.gz ZNKCSAMWJBPCSS-HOTGVXAUSA-N 2 1 347.459 1.394 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000247482530 536860037 /nfs/dbraw/zinc/86/00/37/536860037.db2.gz JWBBJBNFHYRBJS-YESZJQIVSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000247482530 536860041 /nfs/dbraw/zinc/86/00/41/536860041.db2.gz JWBBJBNFHYRBJS-YESZJQIVSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000247482530 536860050 /nfs/dbraw/zinc/86/00/50/536860050.db2.gz JWBBJBNFHYRBJS-YESZJQIVSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000742238645 579444496 /nfs/dbraw/zinc/44/44/96/579444496.db2.gz GGDVBJLLCQKWJT-HKUYNNGSSA-N 2 1 344.503 1.576 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000742238645 579444497 /nfs/dbraw/zinc/44/44/97/579444497.db2.gz GGDVBJLLCQKWJT-HKUYNNGSSA-N 2 1 344.503 1.576 20 0 EDADMP O=C(CCCC[NH+]1CCCC1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000729347159 578564598 /nfs/dbraw/zinc/56/45/98/578564598.db2.gz NKCSUWAPFIIWCH-GOSISDBHSA-N 2 1 337.508 1.966 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000729606399 578584343 /nfs/dbraw/zinc/58/43/43/578584343.db2.gz LAZCXMBPOMQLRW-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000729606399 578584344 /nfs/dbraw/zinc/58/43/44/578584344.db2.gz LAZCXMBPOMQLRW-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[NH+]1CCCC1 ZINC000736025775 578947359 /nfs/dbraw/zinc/94/73/59/578947359.db2.gz NCFSUCIWQXPODP-CYBMUJFWSA-N 2 1 340.435 1.336 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736769908 579018928 /nfs/dbraw/zinc/01/89/28/579018928.db2.gz WRABVAMTFOIXSF-UHFFFAOYSA-N 2 1 343.479 1.230 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C(=O)NC3(CCCCCC3)C2=O)CC1 ZINC000738077491 579157555 /nfs/dbraw/zinc/15/75/55/579157555.db2.gz VOZOFPYXNZRIER-UHFFFAOYSA-N 2 1 336.480 1.862 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000745823540 579564474 /nfs/dbraw/zinc/56/44/74/579564474.db2.gz CMAUGZRYWIHBGK-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP CN(C(=O)CN1CC[NH+](C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000746262282 579582878 /nfs/dbraw/zinc/58/28/78/579582878.db2.gz VTWHZUAAZJPONE-UHFFFAOYSA-N 2 1 344.503 1.357 20 0 EDADMP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000746275252 579583954 /nfs/dbraw/zinc/58/39/54/579583954.db2.gz HQDBUOQZUVFTIF-QFBILLFUSA-N 2 1 345.487 1.595 20 0 EDADMP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000746275252 579583955 /nfs/dbraw/zinc/58/39/55/579583955.db2.gz HQDBUOQZUVFTIF-QFBILLFUSA-N 2 1 345.487 1.595 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2CC(=O)N(C(C)C)C2=O)C1 ZINC000747469400 579645245 /nfs/dbraw/zinc/64/52/45/579645245.db2.gz FZTIYROYIXSTRJ-HNNXBMFYSA-N 2 1 340.468 1.049 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2CC(=O)N(C(C)C)C2=O)C1 ZINC000747469400 579645247 /nfs/dbraw/zinc/64/52/47/579645247.db2.gz FZTIYROYIXSTRJ-HNNXBMFYSA-N 2 1 340.468 1.049 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1)CC(F)(F)F ZINC000749118095 579713639 /nfs/dbraw/zinc/71/36/39/579713639.db2.gz XJCPOHFAYOZCAW-HUUCEWRRSA-N 2 1 337.430 1.649 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000749512483 579729064 /nfs/dbraw/zinc/72/90/64/579729064.db2.gz AIPARBZFDARIKL-VQIMIIECSA-N 2 1 343.471 1.999 20 0 EDADMP NC(=O)COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000749512483 579729066 /nfs/dbraw/zinc/72/90/66/579729066.db2.gz AIPARBZFDARIKL-VQIMIIECSA-N 2 1 343.471 1.999 20 0 EDADMP NC(=O)COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000749512483 579729068 /nfs/dbraw/zinc/72/90/68/579729068.db2.gz AIPARBZFDARIKL-VQIMIIECSA-N 2 1 343.471 1.999 20 0 EDADMP CC(C)C[C@@H]1NC(=O)N(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000755780199 579934861 /nfs/dbraw/zinc/93/48/61/579934861.db2.gz WTAPTALKRSQMJM-CVEARBPZSA-N 2 1 336.480 1.574 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000756813869 579957516 /nfs/dbraw/zinc/95/75/16/579957516.db2.gz RRTLICIADZMOSS-INIZCTEOSA-N 2 1 342.553 1.151 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000756813869 579957517 /nfs/dbraw/zinc/95/75/17/579957517.db2.gz RRTLICIADZMOSS-INIZCTEOSA-N 2 1 342.553 1.151 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000763133933 580093704 /nfs/dbraw/zinc/09/37/04/580093704.db2.gz KZRJNVDABFBBKT-HTWSVDAQSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NCCCCCCC[NH+]1CCCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000763987912 580109950 /nfs/dbraw/zinc/10/99/50/580109950.db2.gz NEIWOLZEXBATPJ-SFHVURJKSA-N 2 1 336.524 1.539 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000779591666 580490785 /nfs/dbraw/zinc/49/07/85/580490785.db2.gz QHPQXRDYKXUZGJ-UHFFFAOYSA-N 2 1 345.491 1.998 20 0 EDADMP Cn1nc(Br)cc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000785456515 580645046 /nfs/dbraw/zinc/64/50/46/580645046.db2.gz WAQFYBOCUOKCCM-UHFFFAOYSA-N 2 1 344.301 1.300 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCCn2cc[nH+]c2C)CC1=O ZINC000785649097 580648810 /nfs/dbraw/zinc/64/88/10/580648810.db2.gz YXOIMXVLBUSVOH-CVEARBPZSA-N 2 1 348.447 1.068 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCCn2cc[nH+]c2C)CC1=O ZINC000785649097 580648811 /nfs/dbraw/zinc/64/88/11/580648811.db2.gz YXOIMXVLBUSVOH-CVEARBPZSA-N 2 1 348.447 1.068 20 0 EDADMP C[NH+]1CCC(CNC(=S)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000790603003 580773604 /nfs/dbraw/zinc/77/36/04/580773604.db2.gz GWQBIVQJVQRCNG-OAHLLOKOSA-N 2 1 326.554 1.913 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cn2)[C@@H](C)C1 ZINC000799322278 581025470 /nfs/dbraw/zinc/02/54/70/581025470.db2.gz LSJAZOLMGBSWLL-ZVZYQTTQSA-N 2 1 339.455 1.981 20 0 EDADMP C[NH+](C)Cc1cc(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)ccc1F ZINC000893037332 590630423 /nfs/dbraw/zinc/63/04/23/590630423.db2.gz OZOVIUZLSLLXHN-QFBILLFUSA-N 2 1 348.466 1.980 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](C[C@H]2COC(C)(C)O2)CC1 ZINC000891844000 590650493 /nfs/dbraw/zinc/65/04/93/590650493.db2.gz ANRXXZAVKLFZQR-ULQDDVLXSA-N 2 1 325.497 1.628 20 0 EDADMP O=C(NCC1C[NH2+]C1)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000892047312 590770579 /nfs/dbraw/zinc/77/05/79/590770579.db2.gz NTTMNDJUCVYBSH-GOSISDBHSA-N 2 1 330.476 1.950 20 0 EDADMP COCC[NH2+]CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000892050583 590774587 /nfs/dbraw/zinc/77/45/87/590774587.db2.gz DPOFCGXNDFYIDW-FUHWJXTLSA-N 2 1 348.491 1.290 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000892143337 590820192 /nfs/dbraw/zinc/82/01/92/590820192.db2.gz DEKZZNNSPUHOOO-RCCFBDPRSA-N 2 1 330.476 1.887 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000892254800 590888785 /nfs/dbraw/zinc/88/87/85/590888785.db2.gz VINRHDYAHXNYKP-CQSZACIVSA-N 2 1 342.447 1.859 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000892254800 590888789 /nfs/dbraw/zinc/88/87/89/590888789.db2.gz VINRHDYAHXNYKP-CQSZACIVSA-N 2 1 342.447 1.859 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)[C@H]1OC ZINC000893486585 590904333 /nfs/dbraw/zinc/90/43/33/590904333.db2.gz GANPFIPNQBAWPP-MTQWCTHYSA-N 2 1 348.487 1.925 20 0 EDADMP CN1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](C)CC1 ZINC000888989526 590969028 /nfs/dbraw/zinc/96/90/28/590969028.db2.gz PJPOOBPDIROFGK-QGZVFWFLSA-N 2 1 336.524 1.347 20 0 EDADMP CN1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+](C)CC1 ZINC000888989526 590969030 /nfs/dbraw/zinc/96/90/30/590969030.db2.gz PJPOOBPDIROFGK-QGZVFWFLSA-N 2 1 336.524 1.347 20 0 EDADMP CN1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](C)CC1 ZINC000888989526 590969031 /nfs/dbraw/zinc/96/90/31/590969031.db2.gz PJPOOBPDIROFGK-QGZVFWFLSA-N 2 1 336.524 1.347 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892344434 590973101 /nfs/dbraw/zinc/97/31/01/590973101.db2.gz RYUOXNDTUAUZHS-SFHVURJKSA-N 2 1 330.476 1.814 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000892489551 591046611 /nfs/dbraw/zinc/04/66/11/591046611.db2.gz BQFLACPUPYBWBF-UHFFFAOYSA-N 2 1 348.491 1.394 20 0 EDADMP CC[C@@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000891349119 591054429 /nfs/dbraw/zinc/05/44/29/591054429.db2.gz VNWDGUMFRXNFPD-OTWHNJEPSA-N 2 1 342.487 1.969 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)C2)cc1 ZINC000892529971 591060926 /nfs/dbraw/zinc/06/09/26/591060926.db2.gz GSXMXFUMJLPPDU-QYZOEREBSA-N 2 1 342.487 1.963 20 0 EDADMP CCN(CC[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000892535514 591063381 /nfs/dbraw/zinc/06/33/81/591063381.db2.gz FOEQVDHYSGUNEY-QGZVFWFLSA-N 2 1 334.464 1.186 20 0 EDADMP CCN(CC[NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000892535514 591063384 /nfs/dbraw/zinc/06/33/84/591063384.db2.gz FOEQVDHYSGUNEY-QGZVFWFLSA-N 2 1 334.464 1.186 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)CC1 ZINC000892570393 591075952 /nfs/dbraw/zinc/07/59/52/591075952.db2.gz NIZDUZKNXNDAPU-UHFFFAOYSA-N 2 1 339.528 1.140 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891537411 591112426 /nfs/dbraw/zinc/11/24/26/591112426.db2.gz BXPXQECUZKNSSE-ROUUACIJSA-N 2 1 330.476 1.875 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000891543048 591115986 /nfs/dbraw/zinc/11/59/86/591115986.db2.gz MODSMWWFFWPZSZ-BZSNNMDCSA-N 2 1 328.460 1.606 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000892687948 591131485 /nfs/dbraw/zinc/13/14/85/591131485.db2.gz ZEIXXPFAMHWYGS-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)Cc1ccc(F)cc1 ZINC000891647235 591165063 /nfs/dbraw/zinc/16/50/63/591165063.db2.gz SJRILCKMOLCMJT-IRXDYDNUSA-N 2 1 334.439 1.793 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)nc(C)[nH+]1 ZINC000891649657 591168408 /nfs/dbraw/zinc/16/84/08/591168408.db2.gz FEZYVSQJOCGVMC-OKILXGFUSA-N 2 1 332.452 1.099 20 0 EDADMP COC(=O)c1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1C ZINC000892927799 591228358 /nfs/dbraw/zinc/22/83/58/591228358.db2.gz VIHMHYHGNURECN-UHFFFAOYSA-N 2 1 333.432 1.035 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895606797 591232987 /nfs/dbraw/zinc/23/29/87/591232987.db2.gz QIAVFKXWAZDORB-RNGZQALNSA-N 2 1 338.496 1.077 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895606797 591232989 /nfs/dbraw/zinc/23/29/89/591232989.db2.gz QIAVFKXWAZDORB-RNGZQALNSA-N 2 1 338.496 1.077 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895606797 591232991 /nfs/dbraw/zinc/23/29/91/591232991.db2.gz QIAVFKXWAZDORB-RNGZQALNSA-N 2 1 338.496 1.077 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895606797 591232994 /nfs/dbraw/zinc/23/29/94/591232994.db2.gz QIAVFKXWAZDORB-RNGZQALNSA-N 2 1 338.496 1.077 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000895627327 591235341 /nfs/dbraw/zinc/23/53/41/591235341.db2.gz FQECYXUWYHYHBV-OAGGEKHMSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895627327 591235344 /nfs/dbraw/zinc/23/53/44/591235344.db2.gz FQECYXUWYHYHBV-OAGGEKHMSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000895627327 591235345 /nfs/dbraw/zinc/23/53/45/591235345.db2.gz FQECYXUWYHYHBV-OAGGEKHMSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000895678298 591246007 /nfs/dbraw/zinc/24/60/07/591246007.db2.gz SLVBIFAXPWKLGT-JTQLQIEISA-N 2 1 334.329 1.370 20 0 EDADMP C[NH+]1CCN(C2CC[NH+]([C@H]3CCC4(C[C@@H]3F)OCCO4)CC2)CC1 ZINC000895845182 591283701 /nfs/dbraw/zinc/28/37/01/591283701.db2.gz KQQUMZSLWZNREM-IRXDYDNUSA-N 2 1 341.471 1.332 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000894377626 591295241 /nfs/dbraw/zinc/29/52/41/591295241.db2.gz CWHJLCJSOJNUBX-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP CN(CCC[N@@H+](C)[C@H]1CCC2(C[C@H]1F)OCCO2)CC[NH+](C)C ZINC000894523776 591332861 /nfs/dbraw/zinc/33/28/61/591332861.db2.gz NBXHHLIOSQNMRC-CVEARBPZSA-N 2 1 331.476 1.435 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000894661528 591383928 /nfs/dbraw/zinc/38/39/28/591383928.db2.gz YYXOLLDMWPSQIX-UHFFFAOYSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000897482810 591488985 /nfs/dbraw/zinc/48/89/85/591488985.db2.gz FTVVXLFVMIHXIT-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000897482810 591488986 /nfs/dbraw/zinc/48/89/86/591488986.db2.gz FTVVXLFVMIHXIT-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP C[N@H+]1CCCC[C@H](CNC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000896609463 591552174 /nfs/dbraw/zinc/55/21/74/591552174.db2.gz NVDZEBJWYITBRD-PMPSAXMXSA-N 2 1 340.537 1.597 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000896609463 591552175 /nfs/dbraw/zinc/55/21/75/591552175.db2.gz NVDZEBJWYITBRD-PMPSAXMXSA-N 2 1 340.537 1.597 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000896609463 591552178 /nfs/dbraw/zinc/55/21/78/591552178.db2.gz NVDZEBJWYITBRD-PMPSAXMXSA-N 2 1 340.537 1.597 20 0 EDADMP CC1(C)CC[N@@H+](CCNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000896747657 591601753 /nfs/dbraw/zinc/60/17/53/591601753.db2.gz FQAZLCXZDHXSEX-MRXNPFEDSA-N 2 1 338.496 1.271 20 0 EDADMP CC1(C)CC[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000896747657 591601757 /nfs/dbraw/zinc/60/17/57/591601757.db2.gz FQAZLCXZDHXSEX-MRXNPFEDSA-N 2 1 338.496 1.271 20 0 EDADMP CC1(C)CC[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000896747657 591601761 /nfs/dbraw/zinc/60/17/61/591601761.db2.gz FQAZLCXZDHXSEX-MRXNPFEDSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000896749844 591602194 /nfs/dbraw/zinc/60/21/94/591602194.db2.gz YTDCDUTXGNBTLQ-NVXWUHKLSA-N 2 1 338.496 1.271 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000896749844 591602199 /nfs/dbraw/zinc/60/21/99/591602199.db2.gz YTDCDUTXGNBTLQ-NVXWUHKLSA-N 2 1 338.496 1.271 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000896749844 591602203 /nfs/dbraw/zinc/60/22/03/591602203.db2.gz YTDCDUTXGNBTLQ-NVXWUHKLSA-N 2 1 338.496 1.271 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC1 ZINC000895204989 591656451 /nfs/dbraw/zinc/65/64/51/591656451.db2.gz NLIXJGSPBCIFKD-UHFFFAOYSA-N 2 1 329.444 1.853 20 0 EDADMP Cc1cc(NCCNC(=O)C2CN([C@H]3CCOC3)C2)nc(C(C)C)n1 ZINC000899135464 591704387 /nfs/dbraw/zinc/70/43/87/591704387.db2.gz CQNCQONBXNXTSG-HNNXBMFYSA-N 2 1 347.463 1.157 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000897057357 591725594 /nfs/dbraw/zinc/72/55/94/591725594.db2.gz ZQJHYGSOXWMQLV-BBWFWOEESA-N 2 1 337.508 1.743 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000898117973 591787331 /nfs/dbraw/zinc/78/73/31/591787331.db2.gz URQRDPADSREMNK-SFHVURJKSA-N 2 1 345.487 1.642 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)cc2)CC1 ZINC000899981162 591851614 /nfs/dbraw/zinc/85/16/14/591851614.db2.gz OGVASLDJZXVRTQ-HKUYNNGSSA-N 2 1 346.475 1.222 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)cc2)CC1 ZINC000899981162 591851617 /nfs/dbraw/zinc/85/16/17/591851617.db2.gz OGVASLDJZXVRTQ-HKUYNNGSSA-N 2 1 346.475 1.222 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000900012862 591862878 /nfs/dbraw/zinc/86/28/78/591862878.db2.gz DLBXSKDAXXSWGD-AOIWGVFYSA-N 2 1 331.460 1.395 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000900012862 591862881 /nfs/dbraw/zinc/86/28/81/591862881.db2.gz DLBXSKDAXXSWGD-AOIWGVFYSA-N 2 1 331.460 1.395 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC[N@@H+]1C ZINC000898368773 591894215 /nfs/dbraw/zinc/89/42/15/591894215.db2.gz PZBVGBOYVFIGLZ-IJLUTSLNSA-N 2 1 325.844 1.487 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC[N@H+]1C ZINC000898368773 591894218 /nfs/dbraw/zinc/89/42/18/591894218.db2.gz PZBVGBOYVFIGLZ-IJLUTSLNSA-N 2 1 325.844 1.487 20 0 EDADMP CC[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000900158160 591920269 /nfs/dbraw/zinc/92/02/69/591920269.db2.gz MYZBJHNUUCXYFI-GGPKGHCWSA-N 2 1 345.487 1.395 20 0 EDADMP CC[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000900158160 591920270 /nfs/dbraw/zinc/92/02/70/591920270.db2.gz MYZBJHNUUCXYFI-GGPKGHCWSA-N 2 1 345.487 1.395 20 0 EDADMP CC[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000900158160 591920271 /nfs/dbraw/zinc/92/02/71/591920271.db2.gz MYZBJHNUUCXYFI-GGPKGHCWSA-N 2 1 345.487 1.395 20 0 EDADMP CC[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000900158160 591920272 /nfs/dbraw/zinc/92/02/72/591920272.db2.gz MYZBJHNUUCXYFI-GGPKGHCWSA-N 2 1 345.487 1.395 20 0 EDADMP COCC[C@@H]1CCN(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1=O ZINC000902141163 591926855 /nfs/dbraw/zinc/92/68/55/591926855.db2.gz UPEKYXYSLLCPAU-KRWDZBQOSA-N 2 1 325.497 1.881 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)C34CC[NH+](CC3)C4)cc2)CC1 ZINC000900192387 591935879 /nfs/dbraw/zinc/93/58/79/591935879.db2.gz NUCPQBKJBLSVFM-UHFFFAOYSA-N 2 1 328.460 1.468 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000900228947 591956732 /nfs/dbraw/zinc/95/67/32/591956732.db2.gz VDMRROHUFSGMEA-OAHLLOKOSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000900228947 591956734 /nfs/dbraw/zinc/95/67/34/591956734.db2.gz VDMRROHUFSGMEA-OAHLLOKOSA-N 2 1 339.480 1.252 20 0 EDADMP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)C1([NH3+])CC1 ZINC000902319077 591969088 /nfs/dbraw/zinc/96/90/88/591969088.db2.gz RRENHLBILXKIFE-ZDUSSCGKSA-N 2 1 325.478 1.484 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@H]3CC[NH2+]CC(C)(C)C3)C2)nc1 ZINC000902374722 591982733 /nfs/dbraw/zinc/98/27/33/591982733.db2.gz PNNJHMPIXDYKGK-HNNXBMFYSA-N 2 1 346.475 1.815 20 0 EDADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000902462693 592000669 /nfs/dbraw/zinc/00/06/69/592000669.db2.gz XVRFQQDXBFRYSW-ZYSHUDEJSA-N 2 1 328.460 1.974 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000900411010 592011142 /nfs/dbraw/zinc/01/11/42/592011142.db2.gz AMJHMJQMJXWTFE-SFHVURJKSA-N 2 1 336.524 1.489 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000900411915 592011346 /nfs/dbraw/zinc/01/13/46/592011346.db2.gz AKDKOTSIEVTMFY-IEBWSBKVSA-N 2 1 337.508 1.602 20 0 EDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900411240 592011418 /nfs/dbraw/zinc/01/14/18/592011418.db2.gz FRAYMTJLPJLBBK-GOSISDBHSA-N 2 1 325.497 1.556 20 0 EDADMP CN(CC[NH+](C)C1CCCCC1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900411240 592011421 /nfs/dbraw/zinc/01/14/21/592011421.db2.gz FRAYMTJLPJLBBK-GOSISDBHSA-N 2 1 325.497 1.556 20 0 EDADMP CN(CC[NH+](C)C1CCCCC1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900411240 592011424 /nfs/dbraw/zinc/01/14/24/592011424.db2.gz FRAYMTJLPJLBBK-GOSISDBHSA-N 2 1 325.497 1.556 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNc1ccccn1 ZINC000900482063 592030825 /nfs/dbraw/zinc/03/08/25/592030825.db2.gz YPNGOQXOTXVWDN-INIZCTEOSA-N 2 1 333.480 1.368 20 0 EDADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900473284 592035131 /nfs/dbraw/zinc/03/51/31/592035131.db2.gz DVQUSLLIMBARKV-IBGZPJMESA-N 2 1 333.476 1.553 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cc(C(F)(F)F)nn2C)C1 ZINC000902726819 592053243 /nfs/dbraw/zinc/05/32/43/592053243.db2.gz REJRHTBWBXIKKX-LLVKDONJSA-N 2 1 349.357 1.547 20 0 EDADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000900598314 592064169 /nfs/dbraw/zinc/06/41/69/592064169.db2.gz MPJVENLEPNCTPX-GOSISDBHSA-N 2 1 347.507 1.771 20 0 EDADMP C[NH+](C)CCCOc1cccc(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c1 ZINC000900662094 592084693 /nfs/dbraw/zinc/08/46/93/592084693.db2.gz JXIMPNVHUNKYPL-IBGZPJMESA-N 2 1 349.475 1.802 20 0 EDADMP CC(C)CN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000900694827 592087825 /nfs/dbraw/zinc/08/78/25/592087825.db2.gz LFSCKJNKIWYBFF-GOSISDBHSA-N 2 1 325.497 1.412 20 0 EDADMP CC(C)C[C@@H](CNC(=O)CCC[NH+]1CCN(C(C)C)CC1)[NH+](C)C ZINC000900684504 592093677 /nfs/dbraw/zinc/09/36/77/592093677.db2.gz RQZPUCAUEUAPGT-SFHVURJKSA-N 2 1 340.556 1.885 20 0 EDADMP CCCn1cc([C@H](C)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)nn1 ZINC000903110694 592121435 /nfs/dbraw/zinc/12/14/35/592121435.db2.gz BSZUROYPAKOKAI-YKJOPOJSSA-N 2 1 335.496 1.818 20 0 EDADMP CCCn1cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)nn1 ZINC000903110694 592121436 /nfs/dbraw/zinc/12/14/36/592121436.db2.gz BSZUROYPAKOKAI-YKJOPOJSSA-N 2 1 335.496 1.818 20 0 EDADMP CCCn1cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)nn1 ZINC000903110694 592121437 /nfs/dbraw/zinc/12/14/37/592121437.db2.gz BSZUROYPAKOKAI-YKJOPOJSSA-N 2 1 335.496 1.818 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@H]3CCN(CCOC)C3)C2)[C@@H]1C(C)C ZINC000903116943 592123549 /nfs/dbraw/zinc/12/35/49/592123549.db2.gz BPTKHRBFCPVCJU-JKEDJMADSA-N 2 1 339.524 1.167 20 0 EDADMP O=C1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@H]([C@@H]2CCCO2)N1 ZINC000903173273 592130519 /nfs/dbraw/zinc/13/05/19/592130519.db2.gz XYWTVGRTZINJNX-AYLACGIVSA-N 2 1 333.476 1.560 20 0 EDADMP CS(=O)(=O)CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903189309 592135980 /nfs/dbraw/zinc/13/59/80/592135980.db2.gz ANVXANHWDWBPPO-VHRNVKJDSA-N 2 1 326.506 1.949 20 0 EDADMP O=C1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@H]([C@H]2CCCO2)N1 ZINC000903222319 592141493 /nfs/dbraw/zinc/14/14/93/592141493.db2.gz XYWTVGRTZINJNX-OOFTWTJGSA-N 2 1 333.476 1.560 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)[C@H]2CCC[C@H]21 ZINC000903242513 592142701 /nfs/dbraw/zinc/14/27/01/592142701.db2.gz SATJFJLACXXTCE-QLFBSQMISA-N 2 1 334.464 1.666 20 0 EDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOCCN1C(=O)c2ccccc2C1=O ZINC000903455367 592174140 /nfs/dbraw/zinc/17/41/40/592174140.db2.gz VVFJUSZTHDWPII-OAHLLOKOSA-N 2 1 333.432 1.262 20 0 EDADMP CCN(C(=O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1)c1ccccc1 ZINC000903490649 592184379 /nfs/dbraw/zinc/18/43/79/592184379.db2.gz BTHABVGFJBRGKO-KHYOSLBOSA-N 2 1 345.443 1.252 20 0 EDADMP C[N@@H+](CCNC(=O)C[C@]1(O)CCC[NH+](C)C1)Cc1ccc(F)cc1 ZINC000900957070 592184590 /nfs/dbraw/zinc/18/45/90/592184590.db2.gz ZMJCONCAAQOJLF-GOSISDBHSA-N 2 1 337.439 1.221 20 0 EDADMP C[NH+](CCNC(=O)C[C@]1(O)CCC[N@H+](C)C1)Cc1ccc(F)cc1 ZINC000900957070 592184591 /nfs/dbraw/zinc/18/45/91/592184591.db2.gz ZMJCONCAAQOJLF-GOSISDBHSA-N 2 1 337.439 1.221 20 0 EDADMP C[NH+](CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)Cc1ccc(F)cc1 ZINC000900957070 592184594 /nfs/dbraw/zinc/18/45/94/592184594.db2.gz ZMJCONCAAQOJLF-GOSISDBHSA-N 2 1 337.439 1.221 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCOc1ccccc1Cl)C2 ZINC000903493692 592186222 /nfs/dbraw/zinc/18/62/22/592186222.db2.gz ZUNVPHLPLUFBMG-AHIWAGSCSA-N 2 1 338.835 1.931 20 0 EDADMP COc1ccc(CNC(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903496666 592187597 /nfs/dbraw/zinc/18/75/97/592187597.db2.gz XYVFBBFPYXHGFF-IIAWOOMASA-N 2 1 349.475 1.625 20 0 EDADMP C[C@@H]1C[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1CC[NH3+] ZINC000903496800 592187722 /nfs/dbraw/zinc/18/77/22/592187722.db2.gz FDHMORNKJRSABV-ZIAGYGMSSA-N 2 1 326.462 1.386 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)CC1 ZINC000903546403 592204336 /nfs/dbraw/zinc/20/43/36/592204336.db2.gz MEBKNFXLJMWWSR-CQSZACIVSA-N 2 1 329.510 1.394 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@H+]1C ZINC000906650699 592234491 /nfs/dbraw/zinc/23/44/91/592234491.db2.gz MBRLMXVYFFTOHP-IUODEOHRSA-N 2 1 332.448 1.418 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906658114 592240301 /nfs/dbraw/zinc/24/03/01/592240301.db2.gz VMUHPFOEJQNTOL-HNNXBMFYSA-N 2 1 332.448 1.417 20 0 EDADMP O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)C12CC[NH+](CC1)C2 ZINC000901129821 592244104 /nfs/dbraw/zinc/24/41/04/592244104.db2.gz GLJAEAXMLHKJCX-ROUUACIJSA-N 2 1 343.471 1.081 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906662480 592244700 /nfs/dbraw/zinc/24/47/00/592244700.db2.gz WVNAJHWSOZUFFK-CQSZACIVSA-N 2 1 346.475 1.619 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000901161828 592272511 /nfs/dbraw/zinc/27/25/11/592272511.db2.gz ILNXYMMTGWUOJS-TZNCUMHOSA-N 2 1 335.492 1.713 20 0 EDADMP C[N@@H+](C[C@@H](O)COCc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725618 592285129 /nfs/dbraw/zinc/28/51/29/592285129.db2.gz DSGMWGOMUNUUJP-RTBURBONSA-N 2 1 348.487 1.655 20 0 EDADMP C[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCN(c2ccccc2)C1=O ZINC000903730765 592286938 /nfs/dbraw/zinc/28/69/38/592286938.db2.gz YZCTZYRZDXTHIS-MSOLQXFVSA-N 2 1 343.471 1.882 20 0 EDADMP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCN(c2ccccc2)C1=O ZINC000903730765 592286940 /nfs/dbraw/zinc/28/69/40/592286940.db2.gz YZCTZYRZDXTHIS-MSOLQXFVSA-N 2 1 343.471 1.882 20 0 EDADMP COCC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730549 592287072 /nfs/dbraw/zinc/28/70/72/592287072.db2.gz XEIQAWNLYMEJBM-QFBILLFUSA-N 2 1 348.443 1.632 20 0 EDADMP c1cc(-c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)nc2c1CC[NH2+]C2 ZINC000904639590 592301584 /nfs/dbraw/zinc/30/15/84/592301584.db2.gz VAYGKFJTHGRMSF-DOMZBBRYSA-N 2 1 327.388 1.313 20 0 EDADMP Cc1nc2c(cnn2C)c(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)n1 ZINC000903740161 592301930 /nfs/dbraw/zinc/30/19/30/592301930.db2.gz SJRGJWMXRVZOEY-HNNXBMFYSA-N 2 1 343.479 1.183 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000901273874 592308421 /nfs/dbraw/zinc/30/84/21/592308421.db2.gz NFBAVYCEFBFXQL-UHFFFAOYSA-N 2 1 337.508 1.679 20 0 EDADMP Cn1cc(C[N@H+](C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c(C(F)(F)F)n1 ZINC000903755491 592313469 /nfs/dbraw/zinc/31/34/69/592313469.db2.gz IAHZTLTXLQNXEM-JSGCOSHPSA-N 2 1 332.370 1.639 20 0 EDADMP Cn1cc(C[N@@H+](C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c(C(F)(F)F)n1 ZINC000903755491 592313476 /nfs/dbraw/zinc/31/34/76/592313476.db2.gz IAHZTLTXLQNXEM-JSGCOSHPSA-N 2 1 332.370 1.639 20 0 EDADMP CC(=O)Nc1cccc2c1C[N@@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903777392 592319327 /nfs/dbraw/zinc/31/93/27/592319327.db2.gz AVUNPHIAXQURAM-VQIMIIECSA-N 2 1 329.444 1.772 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)C1 ZINC000903813446 592330483 /nfs/dbraw/zinc/33/04/83/592330483.db2.gz GKAIHFRMAMQEMY-HZPDHXFCSA-N 2 1 343.537 1.642 20 0 EDADMP FC(F)(F)c1ccnc([C@H]2CC[N@@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC000903827177 592335158 /nfs/dbraw/zinc/33/51/58/592335158.db2.gz PUQLCEXVYUIKAW-LBPRGKRZSA-N 2 1 329.370 1.190 20 0 EDADMP COC(=O)C1([N@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)CCCCC1 ZINC000903891835 592352427 /nfs/dbraw/zinc/35/24/27/592352427.db2.gz DRYIDUPLHLIZFF-HNNXBMFYSA-N 2 1 336.480 1.654 20 0 EDADMP COC(=O)C1([N@@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)CCCCC1 ZINC000903891835 592352432 /nfs/dbraw/zinc/35/24/32/592352432.db2.gz DRYIDUPLHLIZFF-HNNXBMFYSA-N 2 1 336.480 1.654 20 0 EDADMP COCC[N@H+](Cc1ccccc1)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903873214 592354155 /nfs/dbraw/zinc/35/41/55/592354155.db2.gz NDOQUSYEDGYKBY-SFHVURJKSA-N 2 1 330.476 1.995 20 0 EDADMP C[NH+](C)C[C@@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000908203443 592381141 /nfs/dbraw/zinc/38/11/41/592381141.db2.gz DBHGQNDSULAVHK-SJLPKXTDSA-N 2 1 337.439 1.391 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000903932172 592383257 /nfs/dbraw/zinc/38/32/57/592383257.db2.gz NLRBROXQLUXBHA-SJORKVTESA-N 2 1 332.496 1.414 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000903933395 592385203 /nfs/dbraw/zinc/38/52/03/592385203.db2.gz QKNQEKBYQODDQA-JFIYKMOQSA-N 2 1 333.480 1.984 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCCCCNC(=O)CC2)cnn1C ZINC000903935895 592386360 /nfs/dbraw/zinc/38/63/60/592386360.db2.gz VOUUMXKCBMOGGR-INIZCTEOSA-N 2 1 335.496 1.228 20 0 EDADMP Cc1csc([C@H]2CC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903937129 592387246 /nfs/dbraw/zinc/38/72/46/592387246.db2.gz BUVKTBSZNXOYLC-UONOGXRCSA-N 2 1 332.477 1.957 20 0 EDADMP COC(=O)c1ccc2c(c1)CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000903948218 592394269 /nfs/dbraw/zinc/39/42/69/592394269.db2.gz NQSZHJFQTYRABY-AWEZNQCLSA-N 2 1 345.443 1.029 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[C@]2(O)CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000908231006 592395004 /nfs/dbraw/zinc/39/50/04/592395004.db2.gz VJZZPSKFKSOCJE-YVWKXTFCSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000908231006 592395008 /nfs/dbraw/zinc/39/50/08/592395008.db2.gz VJZZPSKFKSOCJE-YVWKXTFCSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000908231006 592395013 /nfs/dbraw/zinc/39/50/13/592395013.db2.gz VJZZPSKFKSOCJE-YVWKXTFCSA-N 2 1 345.487 1.612 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc3c(cc1OC)OCO3)C2 ZINC000903977029 592398712 /nfs/dbraw/zinc/39/87/12/592398712.db2.gz HJABURFQUHNQCJ-JCGVRSQUSA-N 2 1 348.399 1.136 20 0 EDADMP C[C@H]1COCC[N@H+]1C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000908317155 592430711 /nfs/dbraw/zinc/43/07/11/592430711.db2.gz WKMVMZCVHAYIEZ-INIZCTEOSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CCCO1 ZINC000905230959 592459366 /nfs/dbraw/zinc/45/93/66/592459366.db2.gz HQCSVVYOXYBYRI-NEWSRXKRSA-N 2 1 336.476 1.562 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]CC2(O)C3CC4CC(C3)CC2C4)CC1(C)C ZINC000905245451 592475542 /nfs/dbraw/zinc/47/55/42/592475542.db2.gz DYWRFHIINHYYID-UHFFFAOYSA-N 2 1 335.536 1.789 20 0 EDADMP C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC2(O)CCCC2)[C@@H]1c1cccnc1 ZINC000905287000 592493336 /nfs/dbraw/zinc/49/33/36/592493336.db2.gz VGELFNGXFVBGNG-KSZLIROESA-N 2 1 333.476 1.720 20 0 EDADMP C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC2(O)CCCC2)[C@@H]1c1cccnc1 ZINC000905287000 592493337 /nfs/dbraw/zinc/49/33/37/592493337.db2.gz VGELFNGXFVBGNG-KSZLIROESA-N 2 1 333.476 1.720 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000905396595 592527619 /nfs/dbraw/zinc/52/76/19/592527619.db2.gz PPBVFRMDRSYIMR-INIZCTEOSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000905503252 592546126 /nfs/dbraw/zinc/54/61/26/592546126.db2.gz OESYEJQTWBDUTA-DZVNLGKHSA-N 2 1 328.497 1.089 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)c3ccccn3)C2)[C@H]1C(C)C ZINC000905503660 592546850 /nfs/dbraw/zinc/54/68/50/592546850.db2.gz RNDCBIZCDIHFNT-FQBWVUSXSA-N 2 1 333.476 1.574 20 0 EDADMP [NH3+][C@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CC[C@H]1C(F)(F)F ZINC000905722196 592629379 /nfs/dbraw/zinc/62/93/79/592629379.db2.gz KOUUCLNTMBWPHI-MNOVXSKESA-N 2 1 331.342 1.029 20 0 EDADMP Cc1ccc(-n2cc(CN(C)CCCN3CC[NH+](C)CC3)nn2)cc1 ZINC000906290678 592781385 /nfs/dbraw/zinc/78/13/85/592781385.db2.gz QSJBKXVROOFWJT-UHFFFAOYSA-N 2 1 342.491 1.645 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)[C@@H](C)C1 ZINC000910283990 592820803 /nfs/dbraw/zinc/82/08/03/592820803.db2.gz YMEXLQHZUJQPIG-WMZOPIPTSA-N 2 1 330.476 1.989 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)[C@@H](C)C1 ZINC000910283990 592820804 /nfs/dbraw/zinc/82/08/04/592820804.db2.gz YMEXLQHZUJQPIG-WMZOPIPTSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)[C@@H](C)C1 ZINC000910283990 592820806 /nfs/dbraw/zinc/82/08/06/592820806.db2.gz YMEXLQHZUJQPIG-WMZOPIPTSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)[C@@H](C)C1 ZINC000910283990 592820808 /nfs/dbraw/zinc/82/08/08/592820808.db2.gz YMEXLQHZUJQPIG-WMZOPIPTSA-N 2 1 330.476 1.989 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(Cc3cnn(C)c3)CC2)C1 ZINC000906591724 592853559 /nfs/dbraw/zinc/85/35/59/592853559.db2.gz FQBIHEISQXQNFP-QGZVFWFLSA-N 2 1 333.480 1.186 20 0 EDADMP CCCN(C(=O)C[NH+]1CCC[C@@H](C(=O)OCC)C1)[C@H]1CC[N@H+](C)C1 ZINC000911510642 592938098 /nfs/dbraw/zinc/93/80/98/592938098.db2.gz AFSOPGIBXUXNLE-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCCN(C(=O)C[NH+]1CCC[C@@H](C(=O)OCC)C1)[C@H]1CC[N@@H+](C)C1 ZINC000911510642 592938099 /nfs/dbraw/zinc/93/80/99/592938099.db2.gz AFSOPGIBXUXNLE-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCCN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1)[C@H]1CC[NH+](C)C1 ZINC000911510642 592938101 /nfs/dbraw/zinc/93/81/01/592938101.db2.gz AFSOPGIBXUXNLE-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCCN(C(=O)C[N@H+]1CCC[C@@H](C(=O)OCC)C1)[C@H]1CC[NH+](C)C1 ZINC000911510642 592938102 /nfs/dbraw/zinc/93/81/02/592938102.db2.gz AFSOPGIBXUXNLE-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP O=C([C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000911635632 592971617 /nfs/dbraw/zinc/97/16/17/592971617.db2.gz KPMPAAMIWDPDIZ-OKZBNKHCSA-N 2 1 329.444 1.240 20 0 EDADMP O=C([C@@H]1[NH2+]CCOc2ccccc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000911840085 593021122 /nfs/dbraw/zinc/02/11/22/593021122.db2.gz FHJADZDKOPAWQE-GOSISDBHSA-N 2 1 329.444 1.700 20 0 EDADMP CN(CCC(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)c1cc[nH+]cc1 ZINC000911847416 593025632 /nfs/dbraw/zinc/02/56/32/593025632.db2.gz VQKWUZBZVRMXRJ-DLBZAZTESA-N 2 1 346.475 1.523 20 0 EDADMP CC(C)c1noc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000888381195 593039972 /nfs/dbraw/zinc/03/99/72/593039972.db2.gz MYQURNRIAYTBEG-LBPRGKRZSA-N 2 1 326.445 1.587 20 0 EDADMP CC(C)c1noc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000888381195 593039974 /nfs/dbraw/zinc/03/99/74/593039974.db2.gz MYQURNRIAYTBEG-LBPRGKRZSA-N 2 1 326.445 1.587 20 0 EDADMP C[C@H]1CN(CCNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CCO1 ZINC000813617480 593543864 /nfs/dbraw/zinc/54/38/64/593543864.db2.gz XZUONZGSHXDJSC-HOTGVXAUSA-N 2 1 338.496 1.223 20 0 EDADMP CCS(=O)(=O)CCN(C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817276125 593587349 /nfs/dbraw/zinc/58/73/49/593587349.db2.gz RIUJLLZRNHWWGX-UHFFFAOYSA-N 2 1 340.489 1.385 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(S(=O)(=O)N(C)C)o1)CC[NH2+]CC2 ZINC000818340426 593693764 /nfs/dbraw/zinc/69/37/64/593693764.db2.gz MJMJQQKWMZKPEV-CYBMUJFWSA-N 2 1 341.477 1.494 20 0 EDADMP CCOC(=O)CC[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000818968491 593731165 /nfs/dbraw/zinc/73/11/65/593731165.db2.gz BVRMZOPLTWAJGU-HNNXBMFYSA-N 2 1 332.404 1.370 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000818984923 593732389 /nfs/dbraw/zinc/73/23/89/593732389.db2.gz NABFVBQAEXKXQT-CVEARBPZSA-N 2 1 343.512 1.972 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000818998717 593733185 /nfs/dbraw/zinc/73/31/85/593733185.db2.gz USPBCMJFVRVZPD-IAGOWNOFSA-N 2 1 337.439 1.391 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000818998717 593733186 /nfs/dbraw/zinc/73/31/86/593733186.db2.gz USPBCMJFVRVZPD-IAGOWNOFSA-N 2 1 337.439 1.391 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1c(F)cccc1F ZINC000819174496 593742887 /nfs/dbraw/zinc/74/28/87/593742887.db2.gz QQDXZYZTDSPDFG-IXDOHACOSA-N 2 1 340.414 1.966 20 0 EDADMP C[C@H](CNc1ccc(N2CCC[N@@H+](C)CC2)cc1)S(C)(=O)=O ZINC000819411725 593753779 /nfs/dbraw/zinc/75/37/79/593753779.db2.gz PFUMYIRJTGYLHI-CQSZACIVSA-N 2 1 325.478 1.674 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@@H]21 ZINC000821625847 593887160 /nfs/dbraw/zinc/88/71/60/593887160.db2.gz WVURJYADIJNFMQ-BBRMVZONSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@@H]21 ZINC000821625847 593887161 /nfs/dbraw/zinc/88/71/61/593887161.db2.gz WVURJYADIJNFMQ-BBRMVZONSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@@H]21 ZINC000821625847 593887162 /nfs/dbraw/zinc/88/71/62/593887162.db2.gz WVURJYADIJNFMQ-BBRMVZONSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@@H]21 ZINC000821625847 593887163 /nfs/dbraw/zinc/88/71/63/593887163.db2.gz WVURJYADIJNFMQ-BBRMVZONSA-N 2 1 330.411 1.922 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821189206 593986267 /nfs/dbraw/zinc/98/62/67/593986267.db2.gz JCYDMQQRZCVLBF-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821189206 593986269 /nfs/dbraw/zinc/98/62/69/593986269.db2.gz JCYDMQQRZCVLBF-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)ccc1=O ZINC000821318469 594015037 /nfs/dbraw/zinc/01/50/37/594015037.db2.gz ADGORZXLBWAXOA-MRXNPFEDSA-N 2 1 332.448 1.365 20 0 EDADMP Cc1cc([C@@H]([NH3+])CC(=O)NCCC[NH+]2CCOCC2)cc(Cl)n1 ZINC000825808104 594251910 /nfs/dbraw/zinc/25/19/10/594251910.db2.gz OIOVAMBWORBWKI-AWEZNQCLSA-N 2 1 340.855 1.272 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000827322452 594661102 /nfs/dbraw/zinc/66/11/02/594661102.db2.gz ZSYCHDOUAJXUFU-ATZDWAIDSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000827322452 594661103 /nfs/dbraw/zinc/66/11/03/594661103.db2.gz ZSYCHDOUAJXUFU-ATZDWAIDSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000827322452 594661104 /nfs/dbraw/zinc/66/11/04/594661104.db2.gz ZSYCHDOUAJXUFU-ATZDWAIDSA-N 2 1 327.472 1.986 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000841721046 594943038 /nfs/dbraw/zinc/94/30/38/594943038.db2.gz BZHJFTZTULNQBV-WFASDCNBSA-N 2 1 328.420 1.373 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841927232 594983277 /nfs/dbraw/zinc/98/32/77/594983277.db2.gz HCZKIOWBPBSBGY-MSOLQXFVSA-N 2 1 330.476 1.956 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841930681 594984443 /nfs/dbraw/zinc/98/44/43/594984443.db2.gz CODLMRVXFBFYRI-UHFFFAOYSA-N 2 1 348.491 1.440 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841930681 594984444 /nfs/dbraw/zinc/98/44/44/594984444.db2.gz CODLMRVXFBFYRI-UHFFFAOYSA-N 2 1 348.491 1.440 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843355330 595085067 /nfs/dbraw/zinc/08/50/67/595085067.db2.gz RUJPEVYVIRSUQG-DAWZGUTISA-N 3 1 332.492 1.607 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843388836 595097209 /nfs/dbraw/zinc/09/72/09/595097209.db2.gz YSPHLLATGGKHHF-CHWSQXEVSA-N 2 1 343.431 1.529 20 0 EDADMP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843387907 595097320 /nfs/dbraw/zinc/09/73/20/595097320.db2.gz YAKPFVHBOIUBRO-UPJWGTAASA-N 2 1 343.431 1.527 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)NCc2cccnc2-n2ccnc2)C1 ZINC000837492170 595124072 /nfs/dbraw/zinc/12/40/72/595124072.db2.gz XAUFPZRFQSGIND-OAHLLOKOSA-N 2 1 342.447 1.798 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(O)cc3)C2)C1 ZINC000846226489 595179271 /nfs/dbraw/zinc/17/92/71/595179271.db2.gz ZMNPKMOJUPEVAR-CPUCHLNUSA-N 2 1 333.432 1.549 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)CNC[C@@H](O)c1ccc(F)cc1 ZINC000843107639 595288220 /nfs/dbraw/zinc/28/82/20/595288220.db2.gz GBKQXNQQHWRURH-RTBURBONSA-N 2 1 332.419 1.942 20 0 EDADMP CN1c2ccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)cc2CCC1=O ZINC000843124684 595292675 /nfs/dbraw/zinc/29/26/75/595292675.db2.gz JNRRLSXOHDAQLH-QGZVFWFLSA-N 2 1 328.460 1.075 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000843125929 595293183 /nfs/dbraw/zinc/29/31/83/595293183.db2.gz CQGXDDARQLDTHB-SJORKVTESA-N 2 1 331.460 1.762 20 0 EDADMP C[C@@H](CCNC(=O)CO[C@@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000844189441 595297375 /nfs/dbraw/zinc/29/73/75/595297375.db2.gz MILJLQIZNJXJGC-FUHWJXTLSA-N 2 1 333.476 1.782 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844189542 595297485 /nfs/dbraw/zinc/29/74/85/595297485.db2.gz NEZNNFGELBMSFG-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000846836329 595324012 /nfs/dbraw/zinc/32/40/12/595324012.db2.gz PFZZRXGIRZPJRM-OWCLPIDISA-N 2 1 343.512 1.924 20 0 EDADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000846836329 595324015 /nfs/dbraw/zinc/32/40/15/595324015.db2.gz PFZZRXGIRZPJRM-OWCLPIDISA-N 2 1 343.512 1.924 20 0 EDADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000846836329 595324018 /nfs/dbraw/zinc/32/40/18/595324018.db2.gz PFZZRXGIRZPJRM-OWCLPIDISA-N 2 1 343.512 1.924 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CN(CC)C(=O)O2)[C@@H](C)C1 ZINC000846856778 595327688 /nfs/dbraw/zinc/32/76/88/595327688.db2.gz GWWHFCSUHVIBHJ-XHSDSOJGSA-N 2 1 327.469 1.554 20 0 EDADMP COC(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000848523993 595402619 /nfs/dbraw/zinc/40/26/19/595402619.db2.gz BXFNHHNREWBSAW-HZPDHXFCSA-N 2 1 325.453 1.450 20 0 EDADMP CCc1ccc(NC(=[NH2+])NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000849072751 595477903 /nfs/dbraw/zinc/47/79/03/595477903.db2.gz DFMYDECFOAHAPY-HNNXBMFYSA-N 2 1 331.464 1.773 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnc(-c2ccccc2)[nH]1 ZINC000849074421 595478241 /nfs/dbraw/zinc/47/82/41/595478241.db2.gz XVEUVXBFGBNKJZ-CQSZACIVSA-N 2 1 327.436 1.570 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2ccccc2)n[nH]1 ZINC000849074421 595478242 /nfs/dbraw/zinc/47/82/42/595478242.db2.gz XVEUVXBFGBNKJZ-CQSZACIVSA-N 2 1 327.436 1.570 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2ccccc2)n[nH]1 ZINC000849074421 595478243 /nfs/dbraw/zinc/47/82/43/595478243.db2.gz XVEUVXBFGBNKJZ-CQSZACIVSA-N 2 1 327.436 1.570 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849489034 595548827 /nfs/dbraw/zinc/54/88/27/595548827.db2.gz QPTYNXLJVMQPDK-QZTJIDSGSA-N 2 1 347.507 1.444 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)CC[N@@H+]1C ZINC000849571402 595574979 /nfs/dbraw/zinc/57/49/79/595574979.db2.gz IMUGVZKWIGQBSW-OHFALNGGSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC[NH+]1C ZINC000849571402 595574984 /nfs/dbraw/zinc/57/49/84/595574984.db2.gz IMUGVZKWIGQBSW-OHFALNGGSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC[NH+]1C ZINC000849571402 595574990 /nfs/dbraw/zinc/57/49/90/595574990.db2.gz IMUGVZKWIGQBSW-OHFALNGGSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852857967 595579020 /nfs/dbraw/zinc/57/90/20/595579020.db2.gz LKJCNGQKMJLYSI-YOEHRIQHSA-N 2 1 344.459 1.781 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849594034 595585526 /nfs/dbraw/zinc/58/55/26/595585526.db2.gz SFPSJUFHAGISEF-CGTJXYLNSA-N 2 1 349.523 1.692 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849594034 595585529 /nfs/dbraw/zinc/58/55/29/595585529.db2.gz SFPSJUFHAGISEF-CGTJXYLNSA-N 2 1 349.523 1.692 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849594034 595585530 /nfs/dbraw/zinc/58/55/30/595585530.db2.gz SFPSJUFHAGISEF-CGTJXYLNSA-N 2 1 349.523 1.692 20 0 EDADMP COc1cccc([C@@H](O)C2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)c1 ZINC000860134139 595591775 /nfs/dbraw/zinc/59/17/75/595591775.db2.gz KHTOONKMSYTSIU-QUCCMNQESA-N 2 1 348.487 1.896 20 0 EDADMP COc1cccc([C@@H](O)C2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)c1 ZINC000860134139 595591779 /nfs/dbraw/zinc/59/17/79/595591779.db2.gz KHTOONKMSYTSIU-QUCCMNQESA-N 2 1 348.487 1.896 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000852888020 595599555 /nfs/dbraw/zinc/59/95/55/595599555.db2.gz GYLHJKKHAKZHEP-HYVNUMGLSA-N 2 1 344.459 1.507 20 0 EDADMP O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N1C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000853575310 595810810 /nfs/dbraw/zinc/81/08/10/595810810.db2.gz DHTJKSZXEAJTBX-XLAORIBOSA-N 2 1 339.439 1.403 20 0 EDADMP O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N1C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000853575310 595810811 /nfs/dbraw/zinc/81/08/11/595810811.db2.gz DHTJKSZXEAJTBX-XLAORIBOSA-N 2 1 339.439 1.403 20 0 EDADMP O=C1[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)N1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000853575310 595810812 /nfs/dbraw/zinc/81/08/12/595810812.db2.gz DHTJKSZXEAJTBX-XLAORIBOSA-N 2 1 339.439 1.403 20 0 EDADMP O=C1[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)N1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000853575310 595810813 /nfs/dbraw/zinc/81/08/13/595810813.db2.gz DHTJKSZXEAJTBX-XLAORIBOSA-N 2 1 339.439 1.403 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ncnn2-c2ccccc2)C1 ZINC000853686141 595855163 /nfs/dbraw/zinc/85/51/63/595855163.db2.gz UTHBEHKKGUQPJR-HNNXBMFYSA-N 2 1 344.419 1.375 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ncnn2-c2ccccc2)C1 ZINC000853686141 595855168 /nfs/dbraw/zinc/85/51/68/595855168.db2.gz UTHBEHKKGUQPJR-HNNXBMFYSA-N 2 1 344.419 1.375 20 0 EDADMP [NH3+]CCCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000851688447 595885989 /nfs/dbraw/zinc/88/59/89/595885989.db2.gz AMBOPQQNAXWZIG-HNNXBMFYSA-N 2 1 338.496 1.145 20 0 EDADMP C[N@@H+](C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C[C@H]1CCC[NH+](C)C1 ZINC000851781651 595921123 /nfs/dbraw/zinc/92/11/23/595921123.db2.gz CHXSKKXQLFIHDV-HOTGVXAUSA-N 2 1 341.496 1.896 20 0 EDADMP C[N@H+](C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C[C@H]1CCC[NH+](C)C1 ZINC000851781651 595921125 /nfs/dbraw/zinc/92/11/25/595921125.db2.gz CHXSKKXQLFIHDV-HOTGVXAUSA-N 2 1 341.496 1.896 20 0 EDADMP C[NH+](C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000851781651 595921128 /nfs/dbraw/zinc/92/11/28/595921128.db2.gz CHXSKKXQLFIHDV-HOTGVXAUSA-N 2 1 341.496 1.896 20 0 EDADMP C[NH+](C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000851781651 595921131 /nfs/dbraw/zinc/92/11/31/595921131.db2.gz CHXSKKXQLFIHDV-HOTGVXAUSA-N 2 1 341.496 1.896 20 0 EDADMP C[C@@H]1C[N@H+](CC[C@H]2COC(C)(C)O2)CC[C@@H]1N1CCN(C)CC1 ZINC000851882737 595961831 /nfs/dbraw/zinc/96/18/31/595961831.db2.gz FJPVDECLJDBAHS-IKGGRYGDSA-N 2 1 325.497 1.486 20 0 EDADMP C[C@@H]1C[N@@H+](CC[C@H]2COC(C)(C)O2)CC[C@@H]1N1CCN(C)CC1 ZINC000851882737 595961832 /nfs/dbraw/zinc/96/18/32/595961832.db2.gz FJPVDECLJDBAHS-IKGGRYGDSA-N 2 1 325.497 1.486 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[S@@](C)=O)C2)ccn1 ZINC000856584917 596022551 /nfs/dbraw/zinc/02/25/51/596022551.db2.gz URFOFUXPVJHEPT-OPAMFIHVSA-N 2 1 325.478 1.365 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC[S@@](C)=O)C2)ccn1 ZINC000856584917 596022556 /nfs/dbraw/zinc/02/25/56/596022556.db2.gz URFOFUXPVJHEPT-OPAMFIHVSA-N 2 1 325.478 1.365 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC[S@@](C)=O)C2)ccn1 ZINC000856584917 596022560 /nfs/dbraw/zinc/02/25/60/596022560.db2.gz URFOFUXPVJHEPT-OPAMFIHVSA-N 2 1 325.478 1.365 20 0 EDADMP CCc1noc(C[C@]2(O)CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000856671171 596045069 /nfs/dbraw/zinc/04/50/69/596045069.db2.gz JJOHCDBMHSOCSH-CRAIPNDOSA-N 2 1 336.480 1.876 20 0 EDADMP CCc1noc(C[C@]2(O)CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000856671171 596045073 /nfs/dbraw/zinc/04/50/73/596045073.db2.gz JJOHCDBMHSOCSH-CRAIPNDOSA-N 2 1 336.480 1.876 20 0 EDADMP CCc1noc(C[C@]2(O)CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000856671171 596045078 /nfs/dbraw/zinc/04/50/78/596045078.db2.gz JJOHCDBMHSOCSH-CRAIPNDOSA-N 2 1 336.480 1.876 20 0 EDADMP CCc1noc(C[C@]2(O)CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000856671171 596045081 /nfs/dbraw/zinc/04/50/81/596045081.db2.gz JJOHCDBMHSOCSH-CRAIPNDOSA-N 2 1 336.480 1.876 20 0 EDADMP CN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000852107527 596045409 /nfs/dbraw/zinc/04/54/09/596045409.db2.gz MUNPRFCUDYTCJC-CRAIPNDOSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000852107527 596045412 /nfs/dbraw/zinc/04/54/12/596045412.db2.gz MUNPRFCUDYTCJC-CRAIPNDOSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000852107527 596045415 /nfs/dbraw/zinc/04/54/15/596045415.db2.gz MUNPRFCUDYTCJC-CRAIPNDOSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000852107527 596045418 /nfs/dbraw/zinc/04/54/18/596045418.db2.gz MUNPRFCUDYTCJC-CRAIPNDOSA-N 2 1 341.496 1.632 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000861630996 596052398 /nfs/dbraw/zinc/05/23/98/596052398.db2.gz XHYJYSZJXMGVNX-KVSKMBFKSA-N 2 1 330.476 1.948 20 0 EDADMP CC(C)n1cc(C2=CCC[N@H+](C[C@H](O)C[NH+]3CCCC3)CC2)nn1 ZINC000852134440 596057998 /nfs/dbraw/zinc/05/79/98/596057998.db2.gz ZPGWZWJEYAVVED-QGZVFWFLSA-N 2 1 333.480 1.795 20 0 EDADMP CC(C)n1cc(C2=CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)CC2)nn1 ZINC000852134440 596058001 /nfs/dbraw/zinc/05/80/01/596058001.db2.gz ZPGWZWJEYAVVED-QGZVFWFLSA-N 2 1 333.480 1.795 20 0 EDADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861712665 596076808 /nfs/dbraw/zinc/07/68/08/596076808.db2.gz RJEZXBZNIPHRNM-NXHRZFHOSA-N 2 1 335.492 1.309 20 0 EDADMP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000861712665 596076809 /nfs/dbraw/zinc/07/68/09/596076809.db2.gz RJEZXBZNIPHRNM-NXHRZFHOSA-N 2 1 335.492 1.309 20 0 EDADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000861712665 596076813 /nfs/dbraw/zinc/07/68/13/596076813.db2.gz RJEZXBZNIPHRNM-NXHRZFHOSA-N 2 1 335.492 1.309 20 0 EDADMP COCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000866673610 596288114 /nfs/dbraw/zinc/28/81/14/596288114.db2.gz YEURJLLUMJDTSE-PMACEKPBSA-N 3 1 349.519 1.208 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000866704629 596301104 /nfs/dbraw/zinc/30/11/04/596301104.db2.gz WPFMFEBYHJJXPS-IBGZPJMESA-N 2 1 347.459 1.728 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000866704629 596301107 /nfs/dbraw/zinc/30/11/07/596301107.db2.gz WPFMFEBYHJJXPS-IBGZPJMESA-N 2 1 347.459 1.728 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866705851 596301911 /nfs/dbraw/zinc/30/19/11/596301911.db2.gz CQQVJKKFIYBSPR-IBGZPJMESA-N 3 1 338.540 1.672 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866705851 596301913 /nfs/dbraw/zinc/30/19/13/596301913.db2.gz CQQVJKKFIYBSPR-IBGZPJMESA-N 3 1 338.540 1.672 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000866711051 596303790 /nfs/dbraw/zinc/30/37/90/596303790.db2.gz AOLPVBPBSSQVDT-KXNHARMFSA-N 2 1 334.247 1.437 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC000870866441 596382412 /nfs/dbraw/zinc/38/24/12/596382412.db2.gz VYZRAWWBKNXQBS-WGSAOQKQSA-N 2 1 344.503 1.568 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2)CC1 ZINC000870866440 596382774 /nfs/dbraw/zinc/38/27/74/596382774.db2.gz VYZRAWWBKNXQBS-KDURUIRLSA-N 2 1 344.503 1.568 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)CCC34CC(C3)C[NH2+]4)cc2)CC1 ZINC000870865899 596382900 /nfs/dbraw/zinc/38/29/00/596382900.db2.gz NFATTXOXIFGWSM-UHFFFAOYSA-N 2 1 342.487 1.905 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870883815 596389032 /nfs/dbraw/zinc/38/90/32/596389032.db2.gz JBMHEGFQQCQJFB-CQSZACIVSA-N 2 1 334.489 1.824 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000870914346 596401342 /nfs/dbraw/zinc/40/13/42/596401342.db2.gz PIEVWGNWISQTCO-WRMBXCAGSA-N 2 1 325.456 1.847 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H](O)c2cnc[nH]2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000869130154 596420273 /nfs/dbraw/zinc/42/02/73/596420273.db2.gz SVQWJPZFDDSHJO-BASYENTBSA-N 2 1 342.443 1.953 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccnc(-n2cccc2)c1 ZINC000869238265 596456967 /nfs/dbraw/zinc/45/69/67/596456967.db2.gz YLDFYAFRYBJJER-INIZCTEOSA-N 2 1 343.475 1.874 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccnc(-n2cccc2)c1 ZINC000869238265 596456968 /nfs/dbraw/zinc/45/69/68/596456968.db2.gz YLDFYAFRYBJJER-INIZCTEOSA-N 2 1 343.475 1.874 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccc(-n4ccnc4)nc3)CC[C@H]21 ZINC000868019827 596656910 /nfs/dbraw/zinc/65/69/10/596656910.db2.gz DDEQYAWQTVAAAU-JKSUJKDBSA-N 2 1 340.431 1.503 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[C@@](C)([NH3+])C3)cc2)C[C@H](C)O1 ZINC000868071361 596676356 /nfs/dbraw/zinc/67/63/56/596676356.db2.gz OJADNQGJWPEROU-ZRGWGRIASA-N 2 1 331.460 1.859 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[C@@](C)([NH3+])C3)cc2)C[C@H](C)O1 ZINC000868071361 596676358 /nfs/dbraw/zinc/67/63/58/596676358.db2.gz OJADNQGJWPEROU-ZRGWGRIASA-N 2 1 331.460 1.859 20 0 EDADMP O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000865773218 596678238 /nfs/dbraw/zinc/67/82/38/596678238.db2.gz JXHPBRWZJRSZQN-SJORKVTESA-N 2 1 342.443 1.455 20 0 EDADMP C[N@@H+]1CCN(C(=O)/C=C/CN2CCOCC2)C[C@H]1Cc1ccccc1 ZINC000868156173 596704765 /nfs/dbraw/zinc/70/47/65/596704765.db2.gz BFXUSUSZAOXTKX-MTCRFPMVSA-N 2 1 343.471 1.260 20 0 EDADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NCC[NH+]3CC[C@@H](O)C3)c2)C1 ZINC000863940422 596721613 /nfs/dbraw/zinc/72/16/13/596721613.db2.gz DQBOZBIUOOJEQP-ZWKOTPCHSA-N 2 1 331.460 1.292 20 0 EDADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)c2)C1 ZINC000863940422 596721615 /nfs/dbraw/zinc/72/16/15/596721615.db2.gz DQBOZBIUOOJEQP-ZWKOTPCHSA-N 2 1 331.460 1.292 20 0 EDADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NCC[N@H+]3CC[C@@H](O)C3)c2)C1 ZINC000863940422 596721618 /nfs/dbraw/zinc/72/16/18/596721618.db2.gz DQBOZBIUOOJEQP-ZWKOTPCHSA-N 2 1 331.460 1.292 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2c3ccccc3CN2C)C1 ZINC000868284583 596764386 /nfs/dbraw/zinc/76/43/86/596764386.db2.gz COGQYWITMROGDS-NVXWUHKLSA-N 2 1 332.448 1.193 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)(c2ccccc2)CC1 ZINC000870188991 596790946 /nfs/dbraw/zinc/79/09/46/596790946.db2.gz FKTSCZBBVJEQRU-KRWDZBQOSA-N 2 1 331.460 1.097 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)(c2ccccc2)CC1 ZINC000870188991 596790947 /nfs/dbraw/zinc/79/09/47/596790947.db2.gz FKTSCZBBVJEQRU-KRWDZBQOSA-N 2 1 331.460 1.097 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C[N@H+]1C1CC1 ZINC000868382760 596814427 /nfs/dbraw/zinc/81/44/27/596814427.db2.gz KLHGNUBRYGFXCP-JKSUJKDBSA-N 2 1 349.523 1.033 20 0 EDADMP C[N@@H+](CCCCCC[NH3+])CC(=O)NC(=O)NCc1cccs1 ZINC000872155201 596815903 /nfs/dbraw/zinc/81/59/03/596815903.db2.gz NMFQATQUAIJLKP-UHFFFAOYSA-N 2 1 326.466 1.525 20 0 EDADMP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158248 596816540 /nfs/dbraw/zinc/81/65/40/596816540.db2.gz UJHFSHNEXDHSSZ-GOEBONIOSA-N 2 1 331.526 1.545 20 0 EDADMP COC(=O)N1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000872200397 596833067 /nfs/dbraw/zinc/83/30/67/596833067.db2.gz QGNCONRQJODQIO-IEBWSBKVSA-N 2 1 347.459 1.444 20 0 EDADMP COC(=O)N1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000872200397 596833069 /nfs/dbraw/zinc/83/30/69/596833069.db2.gz QGNCONRQJODQIO-IEBWSBKVSA-N 2 1 347.459 1.444 20 0 EDADMP C[N@H+](C[C@@H](O)CN[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)C1CC1 ZINC000872237924 596849558 /nfs/dbraw/zinc/84/95/58/596849558.db2.gz REULZYYOHSAKLP-BQFCYCMXSA-N 2 1 332.444 1.553 20 0 EDADMP C[N@@H+](C[C@@H](O)CN[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)C1CC1 ZINC000872237924 596849561 /nfs/dbraw/zinc/84/95/61/596849561.db2.gz REULZYYOHSAKLP-BQFCYCMXSA-N 2 1 332.444 1.553 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](C(=O)OCc2ccccc2)C1)C1CC1 ZINC000872237924 596849562 /nfs/dbraw/zinc/84/95/62/596849562.db2.gz REULZYYOHSAKLP-BQFCYCMXSA-N 2 1 332.444 1.553 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](C(=O)OCc2ccccc2)C1)C1CC1 ZINC000872237924 596849564 /nfs/dbraw/zinc/84/95/64/596849564.db2.gz REULZYYOHSAKLP-BQFCYCMXSA-N 2 1 332.444 1.553 20 0 EDADMP C[N@H+](C[C@H](O)CN[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)C1CC1 ZINC000872237925 596849738 /nfs/dbraw/zinc/84/97/38/596849738.db2.gz REULZYYOHSAKLP-JFIYKMOQSA-N 2 1 332.444 1.553 20 0 EDADMP C[N@@H+](C[C@H](O)CN[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)C1CC1 ZINC000872237925 596849742 /nfs/dbraw/zinc/84/97/42/596849742.db2.gz REULZYYOHSAKLP-JFIYKMOQSA-N 2 1 332.444 1.553 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](C(=O)OCc2ccccc2)C1)C1CC1 ZINC000872237925 596849743 /nfs/dbraw/zinc/84/97/43/596849743.db2.gz REULZYYOHSAKLP-JFIYKMOQSA-N 2 1 332.444 1.553 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](C(=O)OCc2ccccc2)C1)C1CC1 ZINC000872237925 596849747 /nfs/dbraw/zinc/84/97/47/596849747.db2.gz REULZYYOHSAKLP-JFIYKMOQSA-N 2 1 332.444 1.553 20 0 EDADMP C[C@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000866413952 596880005 /nfs/dbraw/zinc/88/00/05/596880005.db2.gz XJIHADMRBZWDPU-JSGCOSHPSA-N 2 1 333.432 1.513 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000875743373 596970058 /nfs/dbraw/zinc/97/00/58/596970058.db2.gz QUAOXHBVKYLPKQ-HOTGVXAUSA-N 2 1 340.512 1.251 20 0 EDADMP Cn1ncc2c1nc(Cl)nc2NCC[N@H+](C)CCC[NH+](C)C ZINC000872597453 596981980 /nfs/dbraw/zinc/98/19/80/596981980.db2.gz ZNARJSQPCGUAKU-UHFFFAOYSA-N 2 1 325.848 1.312 20 0 EDADMP Cn1ncc2c1nc(Cl)nc2NCC[N@@H+](C)CCC[NH+](C)C ZINC000872597453 596981982 /nfs/dbraw/zinc/98/19/82/596981982.db2.gz ZNARJSQPCGUAKU-UHFFFAOYSA-N 2 1 325.848 1.312 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)[C@@H](C)C[N@H+]1C ZINC000875810181 596993356 /nfs/dbraw/zinc/99/33/56/596993356.db2.gz XYDVTTWABAJNDM-FZMWSMFESA-N 2 1 347.507 1.395 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)[C@@H](C)C[NH+]1C ZINC000875810181 596993361 /nfs/dbraw/zinc/99/33/61/596993361.db2.gz XYDVTTWABAJNDM-FZMWSMFESA-N 2 1 347.507 1.395 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000873112743 597200267 /nfs/dbraw/zinc/20/02/67/597200267.db2.gz ZVFHDQLKIVADRY-DLBZAZTESA-N 2 1 344.459 1.430 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)Cc1ccccc1 ZINC000875140448 597299463 /nfs/dbraw/zinc/29/94/63/597299463.db2.gz QGADQCDKYHBRDD-KRWDZBQOSA-N 2 1 348.491 1.263 20 0 EDADMP C[NH+](CCNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)Cc1ccccc1 ZINC000875140448 597299466 /nfs/dbraw/zinc/29/94/66/597299466.db2.gz QGADQCDKYHBRDD-KRWDZBQOSA-N 2 1 348.491 1.263 20 0 EDADMP C[NH+](CCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)Cc1ccccc1 ZINC000875140448 597299468 /nfs/dbraw/zinc/29/94/68/597299468.db2.gz QGADQCDKYHBRDD-KRWDZBQOSA-N 2 1 348.491 1.263 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875166809 597310979 /nfs/dbraw/zinc/31/09/79/597310979.db2.gz HTTCHWKESYIGIZ-KSTDHSDQSA-N 2 1 340.512 1.212 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C[C@@H](C)O1 ZINC000876737366 597313995 /nfs/dbraw/zinc/31/39/95/597313995.db2.gz QITKMXXVEBGNCD-ILYVXUQDSA-N 2 1 335.492 1.619 20 0 EDADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000876741977 597316614 /nfs/dbraw/zinc/31/66/14/597316614.db2.gz XRZVSWNESMFXCJ-LCCNCEEVSA-N 2 1 327.472 1.961 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876763147 597328788 /nfs/dbraw/zinc/32/87/88/597328788.db2.gz OAQQCBKMBGFPQS-BZSNNMDCSA-N 2 1 333.451 1.915 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876770799 597332621 /nfs/dbraw/zinc/33/26/21/597332621.db2.gz KKLIEJFCMFRYEI-AWEZNQCLSA-N 2 1 347.381 1.790 20 0 EDADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H](N)C[NH+](C)C)cc1Br ZINC000876889487 597371574 /nfs/dbraw/zinc/37/15/74/597371574.db2.gz OICFARAJUAAVRO-ZDUSSCGKSA-N 2 1 343.269 1.338 20 0 EDADMP CO[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCOCC1 ZINC000877030482 597416716 /nfs/dbraw/zinc/41/67/16/597416716.db2.gz CUCNHVRYCGDXIQ-ROUUACIJSA-N 2 1 326.481 1.661 20 0 EDADMP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000877038212 597418555 /nfs/dbraw/zinc/41/85/55/597418555.db2.gz JZTPGKDOAHRVFZ-QZTJIDSGSA-N 2 1 343.471 1.393 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3C[NH+](C)Cc4ccccc43)CC[C@H]21 ZINC000875427213 597423815 /nfs/dbraw/zinc/42/38/15/597423815.db2.gz JSBDZLDAJFBUQJ-KBAYOESNSA-N 2 1 328.460 1.909 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3C[NH+](C)Cc4ccccc43)CC[C@H]21 ZINC000875427213 597423817 /nfs/dbraw/zinc/42/38/17/597423817.db2.gz JSBDZLDAJFBUQJ-KBAYOESNSA-N 2 1 328.460 1.909 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)CC[C@H]21 ZINC000875427213 597423819 /nfs/dbraw/zinc/42/38/19/597423819.db2.gz JSBDZLDAJFBUQJ-KBAYOESNSA-N 2 1 328.460 1.909 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)CC[C@H]21 ZINC000875427213 597423822 /nfs/dbraw/zinc/42/38/22/597423822.db2.gz JSBDZLDAJFBUQJ-KBAYOESNSA-N 2 1 328.460 1.909 20 0 EDADMP CN(CCOCC[NH3+])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000877056928 597423851 /nfs/dbraw/zinc/42/38/51/597423851.db2.gz RKDRWXUMGIXZPV-SFHVURJKSA-N 2 1 345.487 1.722 20 0 EDADMP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)=NO1 ZINC000877143257 597442081 /nfs/dbraw/zinc/44/20/81/597442081.db2.gz JJLJXRJVDJMXRO-IRXDYDNUSA-N 2 1 344.459 1.651 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000877229722 597470026 /nfs/dbraw/zinc/47/00/26/597470026.db2.gz QJZOEENBRRGVTG-MJGOQNOKSA-N 2 1 331.460 1.454 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000877229722 597470029 /nfs/dbraw/zinc/47/00/29/597470029.db2.gz QJZOEENBRRGVTG-MJGOQNOKSA-N 2 1 331.460 1.454 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000877231492 597470737 /nfs/dbraw/zinc/47/07/37/597470737.db2.gz MOGVCSWHOAIGIM-GOSISDBHSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000877231492 597470740 /nfs/dbraw/zinc/47/07/40/597470740.db2.gz MOGVCSWHOAIGIM-GOSISDBHSA-N 2 1 331.460 1.312 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877280991 597485806 /nfs/dbraw/zinc/48/58/06/597485806.db2.gz FVUWWRWUDQYSCT-SQNIBIBYSA-N 2 1 329.444 1.240 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877280991 597485808 /nfs/dbraw/zinc/48/58/08/597485808.db2.gz FVUWWRWUDQYSCT-SQNIBIBYSA-N 2 1 329.444 1.240 20 0 EDADMP C[C@@]12CN(C(=O)[C@@H](F)[C@H]3CC[NH2+]C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877352732 597498711 /nfs/dbraw/zinc/49/87/11/597498711.db2.gz JBWZRSYFFMUVNG-CGBFIWBNSA-N 2 1 345.462 1.915 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c2ccccc2)CC1 ZINC000877374647 597504163 /nfs/dbraw/zinc/50/41/63/597504163.db2.gz MFXVSMCMGXLDHW-NLWGTHIKSA-N 2 1 342.487 1.043 20 0 EDADMP COC(=O)C[C@](C)([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000877707383 597549087 /nfs/dbraw/zinc/54/90/87/597549087.db2.gz ROXZUFTZHAOEPD-SFHVURJKSA-N 2 1 347.463 1.050 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CCC2(CCOCC2)O1 ZINC000878288017 597592764 /nfs/dbraw/zinc/59/27/64/597592764.db2.gz LUQOZVNRMHZAAD-XDNAFOTISA-N 2 1 338.492 1.898 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCc1ccc(C(N)=O)cc1 ZINC000878287741 597592790 /nfs/dbraw/zinc/59/27/90/597592790.db2.gz IKOSSLLBXNKLRT-KURKYZTESA-N 2 1 331.460 1.512 20 0 EDADMP CN1CC[NH+](C2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000881439720 597619702 /nfs/dbraw/zinc/61/97/02/597619702.db2.gz QEJITNZERWWWSJ-KRWDZBQOSA-N 2 1 336.524 1.489 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879570061 597635450 /nfs/dbraw/zinc/63/54/50/597635450.db2.gz WYPWFVNRLIYCDG-LMMKCTJWSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879570061 597635452 /nfs/dbraw/zinc/63/54/52/597635452.db2.gz WYPWFVNRLIYCDG-LMMKCTJWSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000879570061 597635454 /nfs/dbraw/zinc/63/54/54/597635454.db2.gz WYPWFVNRLIYCDG-LMMKCTJWSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000879570061 597635455 /nfs/dbraw/zinc/63/54/55/597635455.db2.gz WYPWFVNRLIYCDG-LMMKCTJWSA-N 2 1 334.460 1.599 20 0 EDADMP C[C@H](CCN1CC[C@@H]2[C@H](CC[N@H+]2C)C1)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879578497 597640941 /nfs/dbraw/zinc/64/09/41/597640941.db2.gz TXGKMNBOGZNOIJ-LASHMREHSA-N 2 1 334.552 1.817 20 0 EDADMP C[C@H](CCN1CC[C@@H]2[C@H](CC[NH+]2C)C1)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879578497 597640944 /nfs/dbraw/zinc/64/09/44/597640944.db2.gz TXGKMNBOGZNOIJ-LASHMREHSA-N 2 1 334.552 1.817 20 0 EDADMP C[C@H](CCN1CC[C@@H]2[C@H](CC[NH+]2C)C1)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879578497 597640946 /nfs/dbraw/zinc/64/09/46/597640946.db2.gz TXGKMNBOGZNOIJ-LASHMREHSA-N 2 1 334.552 1.817 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)CC1 ZINC000878625520 597659593 /nfs/dbraw/zinc/65/95/93/597659593.db2.gz WEIGDGTYGJMOCV-HXUWFJFHSA-N 2 1 343.471 1.667 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883263833 597696045 /nfs/dbraw/zinc/69/60/45/597696045.db2.gz HMIGHZBSVYRDGF-MRXNPFEDSA-N 2 1 335.452 1.134 20 0 EDADMP OCC1(C[C@H](O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000878747650 597698686 /nfs/dbraw/zinc/69/86/86/597698686.db2.gz NGKFIUVXPDBJHE-SFHVURJKSA-N 2 1 333.476 1.897 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883423304 597742226 /nfs/dbraw/zinc/74/22/26/597742226.db2.gz IESNEUWBMUNLEK-WDSOQIARSA-N 2 1 335.467 1.909 20 0 EDADMP COCC[N@@H+](C[C@@H]1CC2(CO1)CCOCC2)CC1CC[NH+](C)CC1 ZINC000879126975 597827420 /nfs/dbraw/zinc/82/74/20/597827420.db2.gz PMKWEJGZPQXTDN-SFHVURJKSA-N 2 1 340.508 1.862 20 0 EDADMP COCC[N@@H+](CC(=O)Nc1ncccc1C)CC1CC[NH+](C)CC1 ZINC000879127013 597827465 /nfs/dbraw/zinc/82/74/65/597827465.db2.gz PUWXWTJQNMAEFF-UHFFFAOYSA-N 2 1 334.464 1.619 20 0 EDADMP COCC[N@H+](CC(=O)Nc1ncccc1C)CC1CC[NH+](C)CC1 ZINC000879127013 597827468 /nfs/dbraw/zinc/82/74/68/597827468.db2.gz PUWXWTJQNMAEFF-UHFFFAOYSA-N 2 1 334.464 1.619 20 0 EDADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1nnnn1CC1CCOCC1)CC2 ZINC000879250868 597864871 /nfs/dbraw/zinc/86/48/71/597864871.db2.gz KLTZCZPYCNKERV-UHFFFAOYSA-N 2 1 348.495 1.408 20 0 EDADMP C[C@@H]1C[N@@H+](CCN2CCC[C@H]([NH2+]C3CCOCC3)C2)C[C@H](C)O1 ZINC000880206266 597873124 /nfs/dbraw/zinc/87/31/24/597873124.db2.gz FGSSGYQEUAZGAU-JZXOWHBKSA-N 2 1 325.497 1.329 20 0 EDADMP C[C@@H]1C[N@H+](CCN2CCC[C@H]([NH2+]C3CCOCC3)C2)C[C@H](C)O1 ZINC000880206266 597873125 /nfs/dbraw/zinc/87/31/25/597873125.db2.gz FGSSGYQEUAZGAU-JZXOWHBKSA-N 2 1 325.497 1.329 20 0 EDADMP C[NH2+]CCOc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000884328299 598069492 /nfs/dbraw/zinc/06/94/92/598069492.db2.gz NMJRVYGCRNQMEC-WBVHZDCISA-N 2 1 331.460 1.841 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000884363166 598081548 /nfs/dbraw/zinc/08/15/48/598081548.db2.gz XYTFIVYDSXMGHR-IJLUTSLNSA-N 2 1 326.238 1.691 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000914069729 695065338 /nfs/dbraw/zinc/06/53/38/695065338.db2.gz ZITFCMQGYFRFIA-GDBMZVCRSA-N 2 1 326.485 1.269 20 0 EDADMP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC000992739023 695261104 /nfs/dbraw/zinc/26/11/04/695261104.db2.gz JDRYBAPAYLUKLG-VNQPRFMTSA-N 2 1 334.464 1.977 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](CC[C@@H]3CCOC3)C2)cc1 ZINC001031104575 695528071 /nfs/dbraw/zinc/52/80/71/695528071.db2.gz WQELFKJHYMYLEO-MRXNPFEDSA-N 2 1 331.460 1.589 20 0 EDADMP O=C(NCC1C[NH+](CC2=CCCCC2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031859018 700026286 /nfs/dbraw/zinc/02/62/86/700026286.db2.gz LFZDZEWUHPXCSX-KGXSXCIVSA-N 2 1 345.487 1.398 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cncs3)C2)C1 ZINC001015596974 695727558 /nfs/dbraw/zinc/72/75/58/695727558.db2.gz KYQPWKZHQUYCRO-HUUCEWRRSA-N 2 1 336.505 1.956 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cncs3)C2)C1 ZINC001015596974 695727559 /nfs/dbraw/zinc/72/75/59/695727559.db2.gz KYQPWKZHQUYCRO-HUUCEWRRSA-N 2 1 336.505 1.956 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cncs3)C2)C1 ZINC001015596974 695727561 /nfs/dbraw/zinc/72/75/61/695727561.db2.gz KYQPWKZHQUYCRO-HUUCEWRRSA-N 2 1 336.505 1.956 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cncs3)C2)C1 ZINC001015596974 695727562 /nfs/dbraw/zinc/72/75/62/695727562.db2.gz KYQPWKZHQUYCRO-HUUCEWRRSA-N 2 1 336.505 1.956 20 0 EDADMP CC(C)(CNC(=S)NCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000916116493 696622717 /nfs/dbraw/zinc/62/27/17/696622717.db2.gz FOFKXIQXZKEMJF-UHFFFAOYSA-N 2 1 342.553 1.437 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000940008288 700109890 /nfs/dbraw/zinc/10/98/90/700109890.db2.gz HPNSMXSVTYHHIR-JKSUJKDBSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000940008542 700110289 /nfs/dbraw/zinc/11/02/89/700110289.db2.gz SAUQMKFXCYTGHA-KRWDZBQOSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1cncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000940024542 700123158 /nfs/dbraw/zinc/12/31/58/700123158.db2.gz KNBAYXQRESFGQW-KRWDZBQOSA-N 2 1 346.475 1.191 20 0 EDADMP Cc1cncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000940024542 700123160 /nfs/dbraw/zinc/12/31/60/700123160.db2.gz KNBAYXQRESFGQW-KRWDZBQOSA-N 2 1 346.475 1.191 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000925435404 696971571 /nfs/dbraw/zinc/97/15/71/696971571.db2.gz QEOJIYHDACYHTN-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000925435404 696971572 /nfs/dbraw/zinc/97/15/72/696971572.db2.gz QEOJIYHDACYHTN-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000925435404 696971573 /nfs/dbraw/zinc/97/15/73/696971573.db2.gz QEOJIYHDACYHTN-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP C[N@H+]1CCCC[C@H](CNS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000918009482 697119419 /nfs/dbraw/zinc/11/94/19/697119419.db2.gz FRXDVJZKIIDJMB-CVEARBPZSA-N 2 1 329.510 1.124 20 0 EDADMP C[NH+]1CCCC[C@H](CNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000918009482 697119420 /nfs/dbraw/zinc/11/94/20/697119420.db2.gz FRXDVJZKIIDJMB-CVEARBPZSA-N 2 1 329.510 1.124 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3CCOC3)C2)o1 ZINC001031467697 697148864 /nfs/dbraw/zinc/14/88/64/697148864.db2.gz HDBMYLINYBMMPH-AWEZNQCLSA-N 2 1 335.448 1.572 20 0 EDADMP C[NH+](C)CC[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1cccnc1 ZINC000918894977 697221477 /nfs/dbraw/zinc/22/14/77/697221477.db2.gz ZDYNPRRVEMSUAU-NVXWUHKLSA-N 2 1 331.464 1.610 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC001031596818 697297305 /nfs/dbraw/zinc/29/73/05/697297305.db2.gz PMMPHIYZGIBAEQ-LSDHHAIUSA-N 2 1 345.434 1.191 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC001031596818 697297306 /nfs/dbraw/zinc/29/73/06/697297306.db2.gz PMMPHIYZGIBAEQ-LSDHHAIUSA-N 2 1 345.434 1.191 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]CCS(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000920091884 697394303 /nfs/dbraw/zinc/39/43/03/697394303.db2.gz SFQZJCLIJKLFJF-GASCZTMLSA-N 2 1 340.489 1.430 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665591 697445645 /nfs/dbraw/zinc/44/56/45/697445645.db2.gz BBKWOCPGHOCFSG-SFHVURJKSA-N 2 1 330.476 1.811 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031665591 697445647 /nfs/dbraw/zinc/44/56/47/697445647.db2.gz BBKWOCPGHOCFSG-SFHVURJKSA-N 2 1 330.476 1.811 20 0 EDADMP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031668598 697461272 /nfs/dbraw/zinc/46/12/72/697461272.db2.gz KOTXOVHMAFMCHZ-SJORKVTESA-N 2 1 335.492 1.478 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675453 697485265 /nfs/dbraw/zinc/48/52/65/697485265.db2.gz IUIKFIVJHSPQDS-QGZVFWFLSA-N 2 1 346.475 1.435 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCCC3CCOCC3)C2)CC[N@H+]1C ZINC001031682170 697502913 /nfs/dbraw/zinc/50/29/13/697502913.db2.gz XFBVQWSTSGZYMK-CRAIPNDOSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1nsc(C)c1CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031682485 697504804 /nfs/dbraw/zinc/50/48/04/697504804.db2.gz LQWDLQISFXPQSF-IUODEOHRSA-N 2 1 336.505 1.648 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031682485 697504806 /nfs/dbraw/zinc/50/48/06/697504806.db2.gz LQWDLQISFXPQSF-IUODEOHRSA-N 2 1 336.505 1.648 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031682485 697504807 /nfs/dbraw/zinc/50/48/07/697504807.db2.gz LQWDLQISFXPQSF-IUODEOHRSA-N 2 1 336.505 1.648 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000921368481 697574768 /nfs/dbraw/zinc/57/47/68/697574768.db2.gz PESYSHUEVGITIJ-MRXNPFEDSA-N 2 1 338.496 1.272 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cnc(C)cn2)C1 ZINC001031714420 697741605 /nfs/dbraw/zinc/74/16/05/697741605.db2.gz IIGQAEMXBCVDAH-KRWDZBQOSA-N 2 1 331.464 1.207 20 0 EDADMP O=C(NCC1C[NH+](CCC[C@H]2CCOC2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001031730894 698093515 /nfs/dbraw/zinc/09/35/15/698093515.db2.gz AJIAVLVQTHQBNJ-RDJZCZTQSA-N 2 1 346.475 1.625 20 0 EDADMP O=C(NCC1C[NH+](CC[C@H]2CCCCO2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001031731723 698098960 /nfs/dbraw/zinc/09/89/60/698098960.db2.gz JKEZCHDIZQNULS-SJORKVTESA-N 2 1 346.475 1.768 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nnc(C)[nH]3)CC2)CC[N@H+]1C ZINC000940123640 700256543 /nfs/dbraw/zinc/25/65/43/700256543.db2.gz PRLUDHLTLOFXNV-LSDHHAIUSA-N 2 1 348.495 1.314 20 0 EDADMP O=C(NCC1C[NH+](C/C=C\Cl)C1)C1CC[NH+](CC2CC2)CC1 ZINC001032118325 698987023 /nfs/dbraw/zinc/98/70/23/698987023.db2.gz ASGOBXJPFJPNSW-BHQIHCQQSA-N 2 1 325.884 1.909 20 0 EDADMP Cc1cccc([C@H](C)[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001031765993 699060391 /nfs/dbraw/zinc/06/03/91/699060391.db2.gz YAUKLWZYNTWCFI-JTDSTZFVSA-N 2 1 345.487 1.823 20 0 EDADMP Cc1cccc([C@H](C)[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001031765993 699060396 /nfs/dbraw/zinc/06/03/96/699060396.db2.gz YAUKLWZYNTWCFI-JTDSTZFVSA-N 2 1 345.487 1.823 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCCC2CCOCC2)C1 ZINC001031776362 699154473 /nfs/dbraw/zinc/15/44/73/699154473.db2.gz JBGYOHYJBDOOHT-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)no1 ZINC000939257145 699434466 /nfs/dbraw/zinc/43/44/66/699434466.db2.gz KGZTXSHUQZYALN-DYVFJYSZSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)no1 ZINC000939386695 699539490 /nfs/dbraw/zinc/53/94/90/699539490.db2.gz DBIPHCWSFSTYEC-PBHICJAKSA-N 2 1 334.464 1.651 20 0 EDADMP CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000941675321 701615071 /nfs/dbraw/zinc/61/50/71/701615071.db2.gz ZCWSAKHSXKNZQR-SFHVURJKSA-N 2 1 336.524 1.489 20 0 EDADMP CCC(CC)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941666130 701620047 /nfs/dbraw/zinc/62/00/47/701620047.db2.gz NGTQGUXTIPCLKT-QGZVFWFLSA-N 2 1 336.524 1.203 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001032119656 701620567 /nfs/dbraw/zinc/62/05/67/701620567.db2.gz XWVYUXRVQGODLH-SJLPKXTDSA-N 2 1 337.508 1.726 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)(NCc2nc(C)no2)CC1 ZINC000940142263 700270449 /nfs/dbraw/zinc/27/04/49/700270449.db2.gz MTXSVIIGRVJLEC-OAHLLOKOSA-N 2 1 349.479 1.723 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nc(C)no2)CC1 ZINC000940142263 700270453 /nfs/dbraw/zinc/27/04/53/700270453.db2.gz MTXSVIIGRVJLEC-OAHLLOKOSA-N 2 1 349.479 1.723 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nc(C)no2)CC1 ZINC000940142263 700270457 /nfs/dbraw/zinc/27/04/57/700270457.db2.gz MTXSVIIGRVJLEC-OAHLLOKOSA-N 2 1 349.479 1.723 20 0 EDADMP CC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000940149242 700282023 /nfs/dbraw/zinc/28/20/23/700282023.db2.gz IAGRJGONTAZLRB-HZPDHXFCSA-N 2 1 346.475 1.768 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+](C)C3CCC3)CC2)nc1 ZINC000940153991 700283653 /nfs/dbraw/zinc/28/36/53/700283653.db2.gz JUMAWBFZCWQXIH-UHFFFAOYSA-N 2 1 345.491 1.740 20 0 EDADMP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1 ZINC000940179086 700312907 /nfs/dbraw/zinc/31/29/07/700312907.db2.gz RDZZCWRXYXXLEJ-AWEZNQCLSA-N 2 1 337.493 1.493 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1 ZINC000940179086 700312912 /nfs/dbraw/zinc/31/29/12/700312912.db2.gz RDZZCWRXYXXLEJ-AWEZNQCLSA-N 2 1 337.493 1.493 20 0 EDADMP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)Cn3c[nH+]cc3C)CC2)n1 ZINC000940214397 700354188 /nfs/dbraw/zinc/35/41/88/700354188.db2.gz KUQFPBMYCVRGSY-UHFFFAOYSA-N 2 1 344.463 1.579 20 0 EDADMP Cc1conc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000940327582 700504857 /nfs/dbraw/zinc/50/48/57/700504857.db2.gz JWPDOOGESLKROS-ZFWWWQNUSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1C ZINC000940329148 700508047 /nfs/dbraw/zinc/50/80/47/700508047.db2.gz QAWKAXQVNWTTLZ-WMLDXEAASA-N 2 1 347.507 1.397 20 0 EDADMP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940426486 700620190 /nfs/dbraw/zinc/62/01/90/700620190.db2.gz SNJBXIVJWJVKDP-HNNXBMFYSA-N 2 1 334.464 1.796 20 0 EDADMP CC(C)c1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000940457446 700660905 /nfs/dbraw/zinc/66/09/05/700660905.db2.gz GIFSOGPTFQPRIX-CQSZACIVSA-N 2 1 349.479 1.615 20 0 EDADMP CC(C)c1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000940457446 700660906 /nfs/dbraw/zinc/66/09/06/700660906.db2.gz GIFSOGPTFQPRIX-CQSZACIVSA-N 2 1 349.479 1.615 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3nc(C4CC4)no3)CC2)C1 ZINC000940461988 700665562 /nfs/dbraw/zinc/66/55/62/700665562.db2.gz VIJXCRPENZUMKK-AWEZNQCLSA-N 2 1 347.463 1.369 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3nc(C4CC4)no3)CC2)C1 ZINC000940461988 700665564 /nfs/dbraw/zinc/66/55/64/700665564.db2.gz VIJXCRPENZUMKK-AWEZNQCLSA-N 2 1 347.463 1.369 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)o1 ZINC000940625097 700786657 /nfs/dbraw/zinc/78/66/57/700786657.db2.gz OSUIHQZUWVABHP-JKSUJKDBSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940625097 700786659 /nfs/dbraw/zinc/78/66/59/700786659.db2.gz OSUIHQZUWVABHP-JKSUJKDBSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940625097 700786660 /nfs/dbraw/zinc/78/66/60/700786660.db2.gz OSUIHQZUWVABHP-JKSUJKDBSA-N 2 1 334.464 1.794 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCCC3)CC2(C)C)C1 ZINC000940646189 700808627 /nfs/dbraw/zinc/80/86/27/700808627.db2.gz DBOODAQDNYETFV-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCCC3)CC2(C)C)C1 ZINC000940646189 700808628 /nfs/dbraw/zinc/80/86/28/700808628.db2.gz DBOODAQDNYETFV-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)CC2(C)C)C1 ZINC000940646189 700808630 /nfs/dbraw/zinc/80/86/30/700808630.db2.gz DBOODAQDNYETFV-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)CC2(C)C)C1 ZINC000940646189 700808632 /nfs/dbraw/zinc/80/86/32/700808632.db2.gz DBOODAQDNYETFV-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP CN1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](C/C=C\Cl)CC2(C)C)C1 ZINC000940647513 700809820 /nfs/dbraw/zinc/80/98/20/700809820.db2.gz QFGMZFDMNRZCHE-PSVOHZHUSA-N 2 1 329.872 1.286 20 0 EDADMP CN1CCO[C@H](C(=O)N[C@@H]2CCN(C/C=C\Cl)CC2(C)C)C1 ZINC000940647513 700809823 /nfs/dbraw/zinc/80/98/23/700809823.db2.gz QFGMZFDMNRZCHE-PSVOHZHUSA-N 2 1 329.872 1.286 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000940785900 700896477 /nfs/dbraw/zinc/89/64/77/700896477.db2.gz RMLPMYWPXVGSQW-JKSUJKDBSA-N 2 1 325.497 1.460 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940785900 700896480 /nfs/dbraw/zinc/89/64/80/700896480.db2.gz RMLPMYWPXVGSQW-JKSUJKDBSA-N 2 1 325.497 1.460 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940785900 700896481 /nfs/dbraw/zinc/89/64/81/700896481.db2.gz RMLPMYWPXVGSQW-JKSUJKDBSA-N 2 1 325.497 1.460 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](CCO)CC1(C)C ZINC000940780229 700904471 /nfs/dbraw/zinc/90/44/71/700904471.db2.gz NHZXXKYLGVGOFF-AWEZNQCLSA-N 2 1 339.505 1.632 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857830 700956692 /nfs/dbraw/zinc/95/66/92/700956692.db2.gz FCQYZGBFOZMYCP-SJORKVTESA-N 2 1 339.524 1.970 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857830 700956694 /nfs/dbraw/zinc/95/66/94/700956694.db2.gz FCQYZGBFOZMYCP-SJORKVTESA-N 2 1 339.524 1.970 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857830 700956696 /nfs/dbraw/zinc/95/66/96/700956696.db2.gz FCQYZGBFOZMYCP-SJORKVTESA-N 2 1 339.524 1.970 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)CC1(C)C ZINC000940892727 700967756 /nfs/dbraw/zinc/96/77/56/700967756.db2.gz IVEAKOIDDMKXCJ-MRXNPFEDSA-N 2 1 344.463 1.342 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)CC1(C)C ZINC000940892727 700967757 /nfs/dbraw/zinc/96/77/57/700967757.db2.gz IVEAKOIDDMKXCJ-MRXNPFEDSA-N 2 1 344.463 1.342 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3conc3C)C2)C1 ZINC001031917229 701001380 /nfs/dbraw/zinc/00/13/80/701001380.db2.gz RMCAGQSFUYRMCM-MRXNPFEDSA-N 2 1 334.464 1.653 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3conc3C)C2)C1 ZINC001031917229 701001382 /nfs/dbraw/zinc/00/13/82/701001382.db2.gz RMCAGQSFUYRMCM-MRXNPFEDSA-N 2 1 334.464 1.653 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001031948825 701519798 /nfs/dbraw/zinc/51/97/98/701519798.db2.gz PLHVFAUIVIFYAY-UHFFFAOYSA-N 2 1 334.464 1.435 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC(C)C)C2)CC1 ZINC000941430830 701537759 /nfs/dbraw/zinc/53/77/59/701537759.db2.gz DBXGOWASZUGDEK-GOSISDBHSA-N 2 1 336.524 1.345 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941459473 701544017 /nfs/dbraw/zinc/54/40/17/701544017.db2.gz BWHZVDTZRTYIAY-LJQANCHMSA-N 2 1 348.535 1.489 20 0 EDADMP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000941461101 701544548 /nfs/dbraw/zinc/54/45/48/701544548.db2.gz YZGGOYRYVLVRND-AEFFLSMTSA-N 2 1 336.524 1.345 20 0 EDADMP CC[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C)OC ZINC001032657850 706622009 /nfs/dbraw/zinc/62/20/09/706622009.db2.gz GVZYLDFVMYJHLG-JYJNAYRXSA-N 2 1 334.464 1.717 20 0 EDADMP CC[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C)OC ZINC001032657850 706622012 /nfs/dbraw/zinc/62/20/12/706622012.db2.gz GVZYLDFVMYJHLG-JYJNAYRXSA-N 2 1 334.464 1.717 20 0 EDADMP CCCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189414 706631472 /nfs/dbraw/zinc/63/14/72/706631472.db2.gz KSTIWILYUUTBLS-BZUAXINKSA-N 2 1 348.495 1.109 20 0 EDADMP CCCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189414 706631474 /nfs/dbraw/zinc/63/14/74/706631474.db2.gz KSTIWILYUUTBLS-BZUAXINKSA-N 2 1 348.495 1.109 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2oc(C)nc2C)C1 ZINC001032205758 702100371 /nfs/dbraw/zinc/10/03/71/702100371.db2.gz IHXOALLYGNRUFW-INIZCTEOSA-N 2 1 334.464 1.714 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2oc(C)nc2C)C1 ZINC001032205758 702100375 /nfs/dbraw/zinc/10/03/75/702100375.db2.gz IHXOALLYGNRUFW-INIZCTEOSA-N 2 1 334.464 1.714 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1F ZINC001032182231 702190513 /nfs/dbraw/zinc/19/05/13/702190513.db2.gz IBMVSXJJNYMEIK-HNNXBMFYSA-N 2 1 335.423 1.334 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001032182231 702190520 /nfs/dbraw/zinc/19/05/20/702190520.db2.gz IBMVSXJJNYMEIK-HNNXBMFYSA-N 2 1 335.423 1.334 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)nc1 ZINC000995892184 702191166 /nfs/dbraw/zinc/19/11/66/702191166.db2.gz FESPFWKLVHUGCR-RDJZCZTQSA-N 2 1 345.491 1.452 20 0 EDADMP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)n1 ZINC000995915822 702276316 /nfs/dbraw/zinc/27/63/16/702276316.db2.gz HAUVKYWMTAISNB-QGZVFWFLSA-N 2 1 347.507 1.714 20 0 EDADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@H]([NH2+]CC3CC3)C2)n[nH]1 ZINC000999212575 706665685 /nfs/dbraw/zinc/66/56/85/706665685.db2.gz ZLXJHDSRBXBMAN-WMLDXEAASA-N 2 1 331.464 1.781 20 0 EDADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@H]([NH2+]CC3CC3)C2)n[nH]1 ZINC000999212575 706665688 /nfs/dbraw/zinc/66/56/88/706665688.db2.gz ZLXJHDSRBXBMAN-WMLDXEAASA-N 2 1 331.464 1.781 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)nn1C ZINC000944170002 702412660 /nfs/dbraw/zinc/41/26/60/702412660.db2.gz RJIAPMWFJQXFEV-WMLDXEAASA-N 2 1 345.491 1.151 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)nn1C ZINC000944170002 702412662 /nfs/dbraw/zinc/41/26/62/702412662.db2.gz RJIAPMWFJQXFEV-WMLDXEAASA-N 2 1 345.491 1.151 20 0 EDADMP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996299671 702690731 /nfs/dbraw/zinc/69/07/31/702690731.db2.gz BYMFULWIKKJJOS-JKSUJKDBSA-N 2 1 347.507 1.571 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)ncn1 ZINC000996302224 702694529 /nfs/dbraw/zinc/69/45/29/702694529.db2.gz WZYIVMXBOIQVCD-RHSMWYFYSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccn(C)n2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256375 702747629 /nfs/dbraw/zinc/74/76/29/702747629.db2.gz DVDXMPSVEVFKIN-DOTOQJQBSA-N 2 1 345.491 1.375 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256375 702747631 /nfs/dbraw/zinc/74/76/31/702747631.db2.gz DVDXMPSVEVFKIN-DOTOQJQBSA-N 2 1 345.491 1.375 20 0 EDADMP C[C@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675683 706694959 /nfs/dbraw/zinc/69/49/59/706694959.db2.gz HSGXNWWYJRGXJY-BPUTZDHNSA-N 2 1 337.443 1.092 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC000996463415 702790735 /nfs/dbraw/zinc/79/07/35/702790735.db2.gz GKIXMURTGQIJMY-CJNGLKHVSA-N 2 1 349.479 1.892 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC000996463415 702790736 /nfs/dbraw/zinc/79/07/36/702790736.db2.gz GKIXMURTGQIJMY-CJNGLKHVSA-N 2 1 349.479 1.892 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCO)CC2)C1 ZINC000948435222 702853951 /nfs/dbraw/zinc/85/39/51/702853951.db2.gz JEOQMUZMHRAHNY-IRXDYDNUSA-N 2 1 325.497 1.270 20 0 EDADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CCO)CC2)C1 ZINC000948435222 702853953 /nfs/dbraw/zinc/85/39/53/702853953.db2.gz JEOQMUZMHRAHNY-IRXDYDNUSA-N 2 1 325.497 1.270 20 0 EDADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CCO)CC2)C1 ZINC000948435222 702853956 /nfs/dbraw/zinc/85/39/56/702853956.db2.gz JEOQMUZMHRAHNY-IRXDYDNUSA-N 2 1 325.497 1.270 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)c(C)o1 ZINC000996519035 702854594 /nfs/dbraw/zinc/85/45/94/702854594.db2.gz MNWJCQSRYCMUDB-WBVHZDCISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)c(C)o1 ZINC000996519035 702854596 /nfs/dbraw/zinc/85/45/96/702854596.db2.gz MNWJCQSRYCMUDB-WBVHZDCISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000996608249 702911586 /nfs/dbraw/zinc/91/15/86/702911586.db2.gz CHQUFXQDQDERAM-AWEZNQCLSA-N 2 1 333.461 1.675 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)cs1 ZINC000996608351 702911632 /nfs/dbraw/zinc/91/16/32/702911632.db2.gz HKLPSKLEDOBJDR-UKRRQHHQSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)cs1 ZINC000996608351 702911633 /nfs/dbraw/zinc/91/16/33/702911633.db2.gz HKLPSKLEDOBJDR-UKRRQHHQSA-N 2 1 336.505 1.730 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)c1 ZINC000996609055 702920082 /nfs/dbraw/zinc/92/00/82/702920082.db2.gz IKLMOPAXLGGLAI-WMZOPIPTSA-N 2 1 345.487 1.974 20 0 EDADMP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996615007 702922336 /nfs/dbraw/zinc/92/23/36/702922336.db2.gz ONGQDAJTWHCHIZ-IAGOWNOFSA-N 2 1 347.507 1.224 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)o1 ZINC000996667966 702965151 /nfs/dbraw/zinc/96/51/51/702965151.db2.gz GQUFNZOMZQGNEK-MRXNPFEDSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)o1 ZINC000996667966 702965153 /nfs/dbraw/zinc/96/51/53/702965153.db2.gz GQUFNZOMZQGNEK-MRXNPFEDSA-N 2 1 349.479 1.722 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996691086 702988605 /nfs/dbraw/zinc/98/86/05/702988605.db2.gz SAWMHYOWUHZHMV-KRWDZBQOSA-N 2 1 333.480 1.338 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cnoc2C)C[C@H]1C ZINC000942517537 703010510 /nfs/dbraw/zinc/01/05/10/703010510.db2.gz BHHOQUQGWCUWOA-WBMJQRKESA-N 2 1 331.420 1.515 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cnoc2C)C[C@H]1C ZINC000942517537 703010513 /nfs/dbraw/zinc/01/05/13/703010513.db2.gz BHHOQUQGWCUWOA-WBMJQRKESA-N 2 1 331.420 1.515 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1)c1cnccn1 ZINC000996726083 703021173 /nfs/dbraw/zinc/02/11/73/703021173.db2.gz WEUIOMCRBOOJGA-PBHICJAKSA-N 2 1 331.464 1.603 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CCOCC2)C1 ZINC001032026689 703044543 /nfs/dbraw/zinc/04/45/43/703044543.db2.gz ILGZREXMNLVSHB-GOSISDBHSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)sn1 ZINC000996800772 703087165 /nfs/dbraw/zinc/08/71/65/703087165.db2.gz INZLFGOIEQIUFZ-UHFFFAOYSA-N 2 1 333.461 1.737 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000996979672 703234964 /nfs/dbraw/zinc/23/49/64/703234964.db2.gz ODTATDMCIRILGR-RHSMWYFYSA-N 2 1 333.480 1.231 20 0 EDADMP CC(C)n1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997005283 703262280 /nfs/dbraw/zinc/26/22/80/703262280.db2.gz DHHWKBAHWGWRAY-CRAIPNDOSA-N 2 1 347.507 1.742 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)nc1 ZINC000997005172 703262435 /nfs/dbraw/zinc/26/24/35/703262435.db2.gz CZRPRISOSHNBKR-GDBMZVCRSA-N 2 1 331.464 1.063 20 0 EDADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC([NH2+]CC2CC2)CC1 ZINC000997005479 703262913 /nfs/dbraw/zinc/26/29/13/703262913.db2.gz DSOWEVPEEMMRAV-UHFFFAOYSA-N 2 1 332.448 1.875 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3coc(C4CC4)n3)CC2)C1 ZINC000997008043 703265523 /nfs/dbraw/zinc/26/55/23/703265523.db2.gz UQKJAPVNXOEWFB-AWEZNQCLSA-N 2 1 346.475 1.974 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997056224 703301711 /nfs/dbraw/zinc/30/17/11/703301711.db2.gz ZOGCHSDNTKZGAV-UHFFFAOYSA-N 2 1 344.463 1.484 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000997059347 703303452 /nfs/dbraw/zinc/30/34/52/703303452.db2.gz AMANUSOFDWOEBX-SFHVURJKSA-N 2 1 347.507 1.764 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821686 703330267 /nfs/dbraw/zinc/33/02/67/703330267.db2.gz GDCCWVBOVYDCSF-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[NH+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821686 703330270 /nfs/dbraw/zinc/33/02/70/703330270.db2.gz GDCCWVBOVYDCSF-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[NH+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821686 703330274 /nfs/dbraw/zinc/33/02/74/703330274.db2.gz GDCCWVBOVYDCSF-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000997085690 703331375 /nfs/dbraw/zinc/33/13/75/703331375.db2.gz SREJBWRNIBSLFH-ZBFHGGJFSA-N 2 1 349.504 1.636 20 0 EDADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997094751 703333745 /nfs/dbraw/zinc/33/37/45/703333745.db2.gz UMIGVRDAFWDHMQ-DLBZAZTESA-N 2 1 343.475 1.574 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)o1 ZINC000997094742 703333805 /nfs/dbraw/zinc/33/38/05/703333805.db2.gz UIAFTAKCOLLLSQ-HZPDHXFCSA-N 2 1 347.463 1.476 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)o1 ZINC000997094742 703333807 /nfs/dbraw/zinc/33/38/07/703333807.db2.gz UIAFTAKCOLLLSQ-HZPDHXFCSA-N 2 1 347.463 1.476 20 0 EDADMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032405208 703427973 /nfs/dbraw/zinc/42/79/73/703427973.db2.gz CQYNCWGWCPODAG-BZSNNMDCSA-N 2 1 333.476 1.040 20 0 EDADMP COCC[NH+]1CCC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000997186682 703476131 /nfs/dbraw/zinc/47/61/31/703476131.db2.gz MSCUXYJDAWNUPQ-CYBMUJFWSA-N 2 1 338.452 1.213 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)C1 ZINC000997187091 703476507 /nfs/dbraw/zinc/47/65/07/703476507.db2.gz VXZVPVYOQWCZOV-SFHVURJKSA-N 2 1 345.487 1.601 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3ncccc3C)CC2)C1 ZINC000997338043 703572788 /nfs/dbraw/zinc/57/27/88/703572788.db2.gz YPPJKNUWKHXQPO-SFHVURJKSA-N 2 1 346.475 1.191 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3ncccc3C)CC2)C1 ZINC000997338043 703572789 /nfs/dbraw/zinc/57/27/89/703572789.db2.gz YPPJKNUWKHXQPO-SFHVURJKSA-N 2 1 346.475 1.191 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC3CCCCC3)CC2)C1 ZINC000997341948 703574199 /nfs/dbraw/zinc/57/41/99/703574199.db2.gz IDIWSSYVZXJUTD-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC3CCCCC3)CC2)C1 ZINC000997341948 703574200 /nfs/dbraw/zinc/57/42/00/703574200.db2.gz IDIWSSYVZXJUTD-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997365416 703599157 /nfs/dbraw/zinc/59/91/57/703599157.db2.gz UQQXYDSERLSEHX-MRXNPFEDSA-N 2 1 331.464 1.432 20 0 EDADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001032445611 703614417 /nfs/dbraw/zinc/61/44/17/703614417.db2.gz MERAZSVIPVJRLS-ZOBUZTSGSA-N 2 1 348.516 1.619 20 0 EDADMP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001032445611 703614419 /nfs/dbraw/zinc/61/44/19/703614419.db2.gz MERAZSVIPVJRLS-ZOBUZTSGSA-N 2 1 348.516 1.619 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCOC)CC1 ZINC000997434957 703664996 /nfs/dbraw/zinc/66/49/96/703664996.db2.gz RLWUOEFYZWSQRA-WBVHZDCISA-N 2 1 325.497 1.724 20 0 EDADMP CCc1cnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997421779 703670869 /nfs/dbraw/zinc/67/08/69/703670869.db2.gz RPOJDUYPMNWBSJ-GDBMZVCRSA-N 2 1 348.491 1.905 20 0 EDADMP CCc1cnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997421779 703670870 /nfs/dbraw/zinc/67/08/70/703670870.db2.gz RPOJDUYPMNWBSJ-GDBMZVCRSA-N 2 1 348.491 1.905 20 0 EDADMP COc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000997605048 703901376 /nfs/dbraw/zinc/90/13/76/703901376.db2.gz CNVVPCVCUGEQRD-QGZVFWFLSA-N 2 1 346.475 1.513 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000997610949 703910810 /nfs/dbraw/zinc/91/08/10/703910810.db2.gz AUVCYAQOMFRYHZ-ZFWWWQNUSA-N 2 1 348.495 1.351 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)s1 ZINC000997615782 703914803 /nfs/dbraw/zinc/91/48/03/703914803.db2.gz WWEALIKUZQMLSI-OAHLLOKOSA-N 2 1 336.505 1.874 20 0 EDADMP CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997636354 703938110 /nfs/dbraw/zinc/93/81/10/703938110.db2.gz NMTNFJPHNNGJST-HLLBOEOZSA-N 2 1 325.497 1.722 20 0 EDADMP CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997636354 703938115 /nfs/dbraw/zinc/93/81/15/703938115.db2.gz NMTNFJPHNNGJST-HLLBOEOZSA-N 2 1 325.497 1.722 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C(C)(C)C1 ZINC000995550919 703954797 /nfs/dbraw/zinc/95/47/97/703954797.db2.gz KQIXENAXLXXJTD-DLBZAZTESA-N 2 1 345.491 1.250 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1)c1ccccc1 ZINC000997645779 703957843 /nfs/dbraw/zinc/95/78/43/703957843.db2.gz SEAJMHSDYVUDRJ-LPHOPBHVSA-N 2 1 345.487 1.906 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1)c1ccccc1 ZINC000997645779 703957847 /nfs/dbraw/zinc/95/78/47/703957847.db2.gz SEAJMHSDYVUDRJ-LPHOPBHVSA-N 2 1 345.487 1.906 20 0 EDADMP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033086140 704150872 /nfs/dbraw/zinc/15/08/72/704150872.db2.gz ZUOQQCZHEUPDCG-QGZVFWFLSA-N 2 1 347.507 1.781 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCOCC3)C2)CC[N@H+]1C ZINC001033090566 704173013 /nfs/dbraw/zinc/17/30/13/704173013.db2.gz CNFCEPGUISCQAJ-BPQIPLTHSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCC3CCOCC3)C2)CC[NH+]1C ZINC001033090566 704173016 /nfs/dbraw/zinc/17/30/16/704173016.db2.gz CNFCEPGUISCQAJ-BPQIPLTHSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC3CCOCC3)C2)CC[NH+]1C ZINC001033090566 704173020 /nfs/dbraw/zinc/17/30/20/704173020.db2.gz CNFCEPGUISCQAJ-BPQIPLTHSA-N 2 1 337.508 1.676 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[C@H]2C[NH+](CC3CC3)C[C@H]2CC1 ZINC000946598085 704310814 /nfs/dbraw/zinc/31/08/14/704310814.db2.gz XOMQZCCGVFSJJC-HCXYKTFWSA-N 2 1 347.503 1.430 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC000946598085 704310816 /nfs/dbraw/zinc/31/08/16/704310816.db2.gz XOMQZCCGVFSJJC-HCXYKTFWSA-N 2 1 347.503 1.430 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC000946598085 704310817 /nfs/dbraw/zinc/31/08/17/704310817.db2.gz XOMQZCCGVFSJJC-HCXYKTFWSA-N 2 1 347.503 1.430 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@]2(C1)CCC[N@@H+](CCCF)C2 ZINC001040452855 704605090 /nfs/dbraw/zinc/60/50/90/704605090.db2.gz LFMIHKYHPWEUAD-SFHVURJKSA-N 2 1 341.471 1.383 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@]2(C1)CCC[N@H+](CCCF)C2 ZINC001040452855 704605091 /nfs/dbraw/zinc/60/50/91/704605091.db2.gz LFMIHKYHPWEUAD-SFHVURJKSA-N 2 1 341.471 1.383 20 0 EDADMP Cc1ccnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000997785759 704689997 /nfs/dbraw/zinc/68/99/97/704689997.db2.gz LTIAQFXWSQWNSL-NVXWUHKLSA-N 2 1 345.491 1.453 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C)o2)CC1 ZINC000997821028 704739477 /nfs/dbraw/zinc/73/94/77/704739477.db2.gz LEZDAFOHJZDKRM-INIZCTEOSA-N 2 1 349.479 1.581 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000997832111 704750491 /nfs/dbraw/zinc/75/04/91/704750491.db2.gz ZGLISRFMTJKEEK-KRWDZBQOSA-N 2 1 349.479 1.300 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944919483 704771142 /nfs/dbraw/zinc/77/11/42/704771142.db2.gz OGQJKJSBVZCDKL-DYVFJYSZSA-N 2 1 334.464 1.714 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CC[NH+](CC3CCC3)CC2)C1 ZINC000997872213 704777855 /nfs/dbraw/zinc/77/78/55/704777855.db2.gz WSWQZZIXSCENDW-YJBOKZPZSA-N 2 1 337.508 1.724 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CC[NH+](CC3CCC3)CC2)C1 ZINC000997872213 704777858 /nfs/dbraw/zinc/77/78/58/704777858.db2.gz WSWQZZIXSCENDW-YJBOKZPZSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1conc1CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944943438 704795862 /nfs/dbraw/zinc/79/58/62/704795862.db2.gz HXMRBXGWSVHJAQ-IUODEOHRSA-N 2 1 331.420 1.515 20 0 EDADMP COc1cc(C[NH2+]CC2CCN(C(=O)Cn3c[nH+]cc3C)CC2)on1 ZINC000997913839 704975118 /nfs/dbraw/zinc/97/51/18/704975118.db2.gz FKISPSACZXBYMO-UHFFFAOYSA-N 2 1 347.419 1.217 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@H]2CCOC2)CC[N@H+]1C ZINC001032587359 705113035 /nfs/dbraw/zinc/11/30/35/705113035.db2.gz VVABSABIFQHFGG-ATIWLJMLSA-N 2 1 335.492 1.428 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@H]2CCOC2)CC[NH+]1C ZINC001032587359 705113037 /nfs/dbraw/zinc/11/30/37/705113037.db2.gz VVABSABIFQHFGG-ATIWLJMLSA-N 2 1 335.492 1.428 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@H]2CCOC2)CC[NH+]1C ZINC001032587359 705113039 /nfs/dbraw/zinc/11/30/39/705113039.db2.gz VVABSABIFQHFGG-ATIWLJMLSA-N 2 1 335.492 1.428 20 0 EDADMP CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H]1CCC[N@@H+](CC)CC1 ZINC000998008049 705167392 /nfs/dbraw/zinc/16/73/92/705167392.db2.gz QVOOBQLAORNLMH-MRXNPFEDSA-N 2 1 335.496 1.781 20 0 EDADMP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998076712 705297051 /nfs/dbraw/zinc/29/70/51/705297051.db2.gz CPNPJEILVNLDHS-UGSOOPFHSA-N 2 1 348.491 1.817 20 0 EDADMP Cn1cc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)cn1 ZINC000998081599 705302351 /nfs/dbraw/zinc/30/23/51/705302351.db2.gz KJUBXHQHKCITHM-UHFFFAOYSA-N 2 1 347.507 1.480 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3ncccn3)CC2)C1 ZINC000998080440 705305462 /nfs/dbraw/zinc/30/54/62/705305462.db2.gz AIWTYYOJGJIWLD-HNNXBMFYSA-N 2 1 331.464 1.147 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000998082078 705308357 /nfs/dbraw/zinc/30/83/57/705308357.db2.gz NNHQOZQBZLFGDJ-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000998081932 705308413 /nfs/dbraw/zinc/30/84/13/705308413.db2.gz MPMSVUKAYHGDOU-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000998081932 705308418 /nfs/dbraw/zinc/30/84/18/705308418.db2.gz MPMSVUKAYHGDOU-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](C(C)C)CCO1)[C@H]1CCC[N@H+](CCF)CC1 ZINC000998101177 705343353 /nfs/dbraw/zinc/34/33/53/705343353.db2.gz GPYYPVLSDRLXLV-IRXDYDNUSA-N 2 1 343.487 1.768 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](C(C)C)CCO1)[C@H]1CCC[N@@H+](CCF)CC1 ZINC000998101177 705343358 /nfs/dbraw/zinc/34/33/58/705343358.db2.gz GPYYPVLSDRLXLV-IRXDYDNUSA-N 2 1 343.487 1.768 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)[C@H]1CCC[NH+](CCF)CC1 ZINC000998101177 705343361 /nfs/dbraw/zinc/34/33/61/705343361.db2.gz GPYYPVLSDRLXLV-IRXDYDNUSA-N 2 1 343.487 1.768 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)[C@H]1CCC[NH+](CCF)CC1 ZINC000998101177 705343365 /nfs/dbraw/zinc/34/33/65/705343365.db2.gz GPYYPVLSDRLXLV-IRXDYDNUSA-N 2 1 343.487 1.768 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2cccs2)CC1 ZINC001032603284 705427755 /nfs/dbraw/zinc/42/77/55/705427755.db2.gz VPJKPKIGCPCYIF-HOTGVXAUSA-N 2 1 333.501 1.918 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](Cc2nonc2C)CC1 ZINC000998190536 705490330 /nfs/dbraw/zinc/49/03/30/705490330.db2.gz QOFOYOWURMJVEA-HOTGVXAUSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCC[N@@H+](Cc2nonc2C)CC1 ZINC000998190536 705490334 /nfs/dbraw/zinc/49/03/34/705490334.db2.gz QOFOYOWURMJVEA-HOTGVXAUSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](Cc2nonc2C)CC1 ZINC000998190536 705490336 /nfs/dbraw/zinc/49/03/36/705490336.db2.gz QOFOYOWURMJVEA-HOTGVXAUSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](Cc2nonc2C)CC1 ZINC000998190536 705490340 /nfs/dbraw/zinc/49/03/40/705490340.db2.gz QOFOYOWURMJVEA-HOTGVXAUSA-N 2 1 349.479 1.533 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000998216605 705538956 /nfs/dbraw/zinc/53/89/56/705538956.db2.gz IFPHNBNHCIARRG-INIZCTEOSA-N 2 1 348.466 1.891 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+][C@@H](C)c2ncccn2)CC1 ZINC000998267979 705639376 /nfs/dbraw/zinc/63/93/76/705639376.db2.gz BUUHXVHEQUMJPM-AWEZNQCLSA-N 2 1 342.447 1.571 20 0 EDADMP Cc1ncsc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998268084 705639990 /nfs/dbraw/zinc/63/99/90/705639990.db2.gz BBTWTPYYJXHBET-OAHLLOKOSA-N 2 1 336.505 1.731 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC000998269925 705647281 /nfs/dbraw/zinc/64/72/81/705647281.db2.gz RBBUNZXWMOFJQU-WMLDXEAASA-N 2 1 334.464 1.587 20 0 EDADMP CCc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998274123 705654725 /nfs/dbraw/zinc/65/47/25/705654725.db2.gz RGPJCGVWRGDABM-INIZCTEOSA-N 2 1 348.491 1.825 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC3CCCC3)CC2)C1 ZINC000998280803 705672751 /nfs/dbraw/zinc/67/27/51/705672751.db2.gz QEZHENOSJJBPGV-SFHVURJKSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC3CCCC3)CC2)C1 ZINC000998280803 705672752 /nfs/dbraw/zinc/67/27/52/705672752.db2.gz QEZHENOSJJBPGV-SFHVURJKSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCOCC2)C1 ZINC001032627610 705736077 /nfs/dbraw/zinc/73/60/77/705736077.db2.gz BYWIZXMXUBIYED-SZMVWBNQSA-N 2 1 335.492 1.430 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCOCC2)C1 ZINC001032627610 705736079 /nfs/dbraw/zinc/73/60/79/705736079.db2.gz BYWIZXMXUBIYED-SZMVWBNQSA-N 2 1 335.492 1.430 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCOCC2)C1 ZINC001032627610 705736081 /nfs/dbraw/zinc/73/60/81/705736081.db2.gz BYWIZXMXUBIYED-SZMVWBNQSA-N 2 1 335.492 1.430 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3CCOc2ccccc2)C1 ZINC001032627875 705739465 /nfs/dbraw/zinc/73/94/65/705739465.db2.gz LLZLMWWYTVUSBZ-SQNIBIBYSA-N 2 1 343.471 1.692 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccccc2)C1 ZINC001032627875 705739467 /nfs/dbraw/zinc/73/94/67/705739467.db2.gz LLZLMWWYTVUSBZ-SQNIBIBYSA-N 2 1 343.471 1.692 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccccc2)C1 ZINC001032627875 705739469 /nfs/dbraw/zinc/73/94/69/705739469.db2.gz LLZLMWWYTVUSBZ-SQNIBIBYSA-N 2 1 343.471 1.692 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOc2ccccc2)C1 ZINC001032627875 705739470 /nfs/dbraw/zinc/73/94/70/705739470.db2.gz LLZLMWWYTVUSBZ-SQNIBIBYSA-N 2 1 343.471 1.692 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC000998548354 705983771 /nfs/dbraw/zinc/98/37/71/705983771.db2.gz GXZJLMGZPCVALL-YMAMQOFZSA-N 2 1 347.463 1.195 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC000998548354 705983775 /nfs/dbraw/zinc/98/37/75/705983775.db2.gz GXZJLMGZPCVALL-YMAMQOFZSA-N 2 1 347.463 1.195 20 0 EDADMP Cc1ccc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998586880 706025936 /nfs/dbraw/zinc/02/59/36/706025936.db2.gz RIOAVPRRSLMYCT-CTWPCTMYSA-N 2 1 345.487 1.713 20 0 EDADMP Cc1ccc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998586880 706025937 /nfs/dbraw/zinc/02/59/37/706025937.db2.gz RIOAVPRRSLMYCT-CTWPCTMYSA-N 2 1 345.487 1.713 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000998733852 706167239 /nfs/dbraw/zinc/16/72/39/706167239.db2.gz UQONELQCTRAWOA-IAGOWNOFSA-N 2 1 347.507 1.813 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000998762813 706201101 /nfs/dbraw/zinc/20/11/01/706201101.db2.gz HUTLROXOZZMQDK-NRXISQOPSA-N 2 1 335.452 1.330 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000998762813 706201105 /nfs/dbraw/zinc/20/11/05/706201105.db2.gz HUTLROXOZZMQDK-NRXISQOPSA-N 2 1 335.452 1.330 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC000998792053 706238943 /nfs/dbraw/zinc/23/89/43/706238943.db2.gz RIKZPYWKWMGJBR-XSCHDIRWSA-N 2 1 336.505 1.871 20 0 EDADMP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998794711 706241880 /nfs/dbraw/zinc/24/18/80/706241880.db2.gz FPZQBPVBBFOEKT-PRLABOORSA-N 2 1 333.480 1.322 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)on2)C1 ZINC000998865770 706295705 /nfs/dbraw/zinc/29/57/05/706295705.db2.gz ICMPGSSAPFLMOO-BDVYOWHSSA-N 2 1 334.464 1.936 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)on2)C1 ZINC000998865770 706295709 /nfs/dbraw/zinc/29/57/09/706295709.db2.gz ICMPGSSAPFLMOO-BDVYOWHSSA-N 2 1 334.464 1.936 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000998866602 706296419 /nfs/dbraw/zinc/29/64/19/706296419.db2.gz MGMGSROIZAMBFG-VMWRSERWSA-N 2 1 347.507 1.416 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)[nH]1 ZINC000998992976 706425173 /nfs/dbraw/zinc/42/51/73/706425173.db2.gz DECBZQNEBGHJQI-NRXISQOPSA-N 2 1 348.495 1.491 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)oc1C ZINC000999341664 706853563 /nfs/dbraw/zinc/85/35/63/706853563.db2.gz IBHXYNBRFXXJAB-UHFFFAOYSA-N 2 1 334.464 1.712 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)s1 ZINC000999347809 706859786 /nfs/dbraw/zinc/85/97/86/706859786.db2.gz KURWBHDUZQRLFS-ZDUSSCGKSA-N 2 1 337.493 1.411 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)[nH]1 ZINC000999349251 706861309 /nfs/dbraw/zinc/86/13/09/706861309.db2.gz RYWZQTOVQCYZRQ-HZPDHXFCSA-N 2 1 348.495 1.172 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)[nH]1 ZINC000999349251 706861311 /nfs/dbraw/zinc/86/13/11/706861311.db2.gz RYWZQTOVQCYZRQ-HZPDHXFCSA-N 2 1 348.495 1.172 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC000999351695 706864773 /nfs/dbraw/zinc/86/47/73/706864773.db2.gz HECKDGXJRRDWQU-HZPDHXFCSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC000999351695 706864774 /nfs/dbraw/zinc/86/47/74/706864774.db2.gz HECKDGXJRRDWQU-HZPDHXFCSA-N 2 1 348.495 1.159 20 0 EDADMP CCCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999372084 706886305 /nfs/dbraw/zinc/88/63/05/706886305.db2.gz OCDUTNSEQGEBLO-DOTOQJQBSA-N 2 1 348.495 1.109 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3cc(C4CC4)no3)C2)C1 ZINC000999407722 706917735 /nfs/dbraw/zinc/91/77/35/706917735.db2.gz FCUQGTLUIVDJLQ-IUDNXUCKSA-N 2 1 346.475 1.973 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)o1 ZINC000999409548 706919104 /nfs/dbraw/zinc/91/91/04/706919104.db2.gz QNUGETKOQZJGFV-UWTIGNOOSA-N 2 1 334.464 1.712 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000999506449 707003899 /nfs/dbraw/zinc/00/38/99/707003899.db2.gz AUOOYACVRYJXIL-GDBMZVCRSA-N 2 1 336.505 1.751 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC000999508253 707005778 /nfs/dbraw/zinc/00/57/78/707005778.db2.gz IBPXTBYWKZGOCG-UWTIGNOOSA-N 2 1 349.479 1.750 20 0 EDADMP COc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC000999513308 707011947 /nfs/dbraw/zinc/01/19/47/707011947.db2.gz RYTYFMBDVVGJGD-QAPCUYQASA-N 2 1 346.475 1.655 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999488493 707024417 /nfs/dbraw/zinc/02/44/17/707024417.db2.gz FOTSVZCGIOLIHF-INIZCTEOSA-N 2 1 346.475 1.940 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cn(CC3CC3)nn2)C1)[NH+](C)C ZINC000999489027 707024936 /nfs/dbraw/zinc/02/49/36/707024936.db2.gz IHTDNVHOBNXBGK-DOTOQJQBSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC000999601195 707103139 /nfs/dbraw/zinc/10/31/39/707103139.db2.gz IAUMCTOMKPIZKM-IUDNXUCKSA-N 2 1 349.479 1.750 20 0 EDADMP CC(C)(C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1)[NH+]1CCCC1 ZINC000946710751 707183194 /nfs/dbraw/zinc/18/31/94/707183194.db2.gz WNQDVEQGCJQTQX-CALCHBBNSA-N 2 1 337.508 1.414 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC000999690050 707246339 /nfs/dbraw/zinc/24/63/39/707246339.db2.gz UUXAHFJQNXQIOT-HSBZDZAISA-N 2 1 336.436 1.104 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033256829 707258576 /nfs/dbraw/zinc/25/85/76/707258576.db2.gz ZUSBJZMEHMLOFQ-HOCLYGCPSA-N 2 1 343.431 1.449 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC001033181669 707343375 /nfs/dbraw/zinc/34/33/75/707343375.db2.gz IZPJVNNSHXZQAM-MRXNPFEDSA-N 2 1 346.475 1.892 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC001033181669 707343379 /nfs/dbraw/zinc/34/33/79/707343379.db2.gz IZPJVNNSHXZQAM-MRXNPFEDSA-N 2 1 346.475 1.892 20 0 EDADMP Cc1ccncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033196723 707411312 /nfs/dbraw/zinc/41/13/12/707411312.db2.gz FMYIZCNLXLQIRZ-ROUUACIJSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033196723 707411313 /nfs/dbraw/zinc/41/13/13/707411313.db2.gz FMYIZCNLXLQIRZ-ROUUACIJSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ccncc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033196723 707411315 /nfs/dbraw/zinc/41/13/15/707411315.db2.gz FMYIZCNLXLQIRZ-ROUUACIJSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ccncc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033196723 707411316 /nfs/dbraw/zinc/41/13/16/707411316.db2.gz FMYIZCNLXLQIRZ-ROUUACIJSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199533 707449532 /nfs/dbraw/zinc/44/95/32/707449532.db2.gz UOFVCFKWXCVLMK-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033199533 707449537 /nfs/dbraw/zinc/44/95/37/707449537.db2.gz UOFVCFKWXCVLMK-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033199533 707449542 /nfs/dbraw/zinc/44/95/42/707449542.db2.gz UOFVCFKWXCVLMK-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccncc2Cl)C1 ZINC000999833802 707466350 /nfs/dbraw/zinc/46/63/50/707466350.db2.gz DGWYDQMVQOMDON-NFOMZHRRSA-N 2 1 336.867 1.766 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC000999834096 707466809 /nfs/dbraw/zinc/46/68/09/707466809.db2.gz QVFPGOHRFOJMKH-UHFFFAOYSA-N 2 1 347.463 1.512 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)sn1 ZINC000999836912 707472944 /nfs/dbraw/zinc/47/29/44/707472944.db2.gz MFENHZAXACZPGM-HIFPTAJRSA-N 2 1 338.477 1.182 20 0 EDADMP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1nncn1C ZINC000999876014 707523025 /nfs/dbraw/zinc/52/30/25/707523025.db2.gz KQGPGPWHVJAHQM-CABCVRRESA-N 2 1 348.495 1.331 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2conc2C)C1 ZINC000999876287 707523647 /nfs/dbraw/zinc/52/36/47/707523647.db2.gz LDJQNNASHQBATR-OFLPRAFFSA-N 2 1 334.464 1.936 20 0 EDADMP C[C@@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004873523 707535339 /nfs/dbraw/zinc/53/53/39/707535339.db2.gz AMTPAGLKJDBMCF-PBHICJAKSA-N 2 1 348.495 1.159 20 0 EDADMP C[C@@H]([NH2+]Cc1cnon1)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004923933 707662468 /nfs/dbraw/zinc/66/24/68/707662468.db2.gz FICWICRQBXDIKS-CZUORRHYSA-N 2 1 335.452 1.271 20 0 EDADMP CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999994063 707671746 /nfs/dbraw/zinc/67/17/46/707671746.db2.gz ZJUHYWMFGIDDIM-CVEARBPZSA-N 2 1 334.468 1.034 20 0 EDADMP CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999994063 707671749 /nfs/dbraw/zinc/67/17/49/707671749.db2.gz ZJUHYWMFGIDDIM-CVEARBPZSA-N 2 1 334.468 1.034 20 0 EDADMP CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)nn2)C1 ZINC000999994063 707671752 /nfs/dbraw/zinc/67/17/52/707671752.db2.gz ZJUHYWMFGIDDIM-CVEARBPZSA-N 2 1 334.468 1.034 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nn1 ZINC001000020504 707688686 /nfs/dbraw/zinc/68/86/86/707688686.db2.gz NMUOTVORIFKBOH-JYJNAYRXSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC001000020504 707688690 /nfs/dbraw/zinc/68/86/90/707688690.db2.gz NMUOTVORIFKBOH-JYJNAYRXSA-N 2 1 348.495 1.109 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C2CCN(Cc3cnon3)CC2)CC1 ZINC001000105361 707699756 /nfs/dbraw/zinc/69/97/56/707699756.db2.gz OGNRYASKBMZLIA-HNNXBMFYSA-N 2 1 333.436 1.025 20 0 EDADMP CN1CCC[C@H]1C(=O)NC1(C2CCN(Cc3cnon3)CC2)CC1 ZINC001000105361 707699760 /nfs/dbraw/zinc/69/97/60/707699760.db2.gz OGNRYASKBMZLIA-HNNXBMFYSA-N 2 1 333.436 1.025 20 0 EDADMP Cc1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[N@H+](C)C2)sn1 ZINC001032731857 707734569 /nfs/dbraw/zinc/73/45/69/707734569.db2.gz RJJTUGJYCUYCNJ-KKUMJFAQSA-N 2 1 334.489 1.578 20 0 EDADMP C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001004964622 707794017 /nfs/dbraw/zinc/79/40/17/707794017.db2.gz MOSHXPRIPDXQIT-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)nc(C)[nH+]1 ZINC001061652637 707796076 /nfs/dbraw/zinc/79/60/76/707796076.db2.gz LXCJLDGGQXBBFH-SJORKVTESA-N 2 1 345.491 1.909 20 0 EDADMP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nc(C)[nH+]1 ZINC001061652637 707796078 /nfs/dbraw/zinc/79/60/78/707796078.db2.gz LXCJLDGGQXBBFH-SJORKVTESA-N 2 1 345.491 1.909 20 0 EDADMP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001000194469 707830917 /nfs/dbraw/zinc/83/09/17/707830917.db2.gz VQGNXZSTFVEDCC-CRAIPNDOSA-N 2 1 330.476 1.812 20 0 EDADMP CCc1nc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc(C)[nH+]1 ZINC001061603725 707839187 /nfs/dbraw/zinc/83/91/87/707839187.db2.gz FMFYFMFMYNRDSI-GJZGRUSLSA-N 2 1 331.464 1.242 20 0 EDADMP CCc1nc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc(C)[nH+]1 ZINC001061603725 707839189 /nfs/dbraw/zinc/83/91/89/707839189.db2.gz FMFYFMFMYNRDSI-GJZGRUSLSA-N 2 1 331.464 1.242 20 0 EDADMP CC(C)n1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001000199976 707839399 /nfs/dbraw/zinc/83/93/99/707839399.db2.gz OAGUWBJUUVTNTF-FUHWJXTLSA-N 2 1 347.507 1.886 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033424620 707842105 /nfs/dbraw/zinc/84/21/05/707842105.db2.gz FCUVDDAKNXPJGO-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033424620 707842108 /nfs/dbraw/zinc/84/21/08/707842108.db2.gz FCUVDDAKNXPJGO-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033424620 707842111 /nfs/dbraw/zinc/84/21/11/707842111.db2.gz FCUVDDAKNXPJGO-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033424620 707842114 /nfs/dbraw/zinc/84/21/14/707842114.db2.gz FCUVDDAKNXPJGO-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001033225447 707853630 /nfs/dbraw/zinc/85/36/30/707853630.db2.gz HDOGONOZRYPUHS-DLBZAZTESA-N 2 1 335.492 1.717 20 0 EDADMP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001033230338 707890750 /nfs/dbraw/zinc/89/07/50/707890750.db2.gz MHSHPZIHEHYJTR-NVXWUHKLSA-N 2 1 342.443 1.907 20 0 EDADMP CC[C@@H](F)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536095 707891542 /nfs/dbraw/zinc/89/15/42/707891542.db2.gz GVZFOHZQTFCMGR-TWMKSMIVSA-N 2 1 341.471 1.236 20 0 EDADMP CC[C@@H](F)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536095 707891548 /nfs/dbraw/zinc/89/15/48/707891548.db2.gz GVZFOHZQTFCMGR-TWMKSMIVSA-N 2 1 341.471 1.236 20 0 EDADMP CC[C@@H](F)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536095 707891549 /nfs/dbraw/zinc/89/15/49/707891549.db2.gz GVZFOHZQTFCMGR-TWMKSMIVSA-N 2 1 341.471 1.236 20 0 EDADMP CC[C@@H](F)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536095 707891556 /nfs/dbraw/zinc/89/15/56/707891556.db2.gz GVZFOHZQTFCMGR-TWMKSMIVSA-N 2 1 341.471 1.236 20 0 EDADMP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)CC[C@@H]2C1 ZINC000946536693 707896598 /nfs/dbraw/zinc/89/65/98/707896598.db2.gz UTNSZHNISTURLP-KSZLIROESA-N 2 1 337.508 1.534 20 0 EDADMP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536693 707896603 /nfs/dbraw/zinc/89/66/03/707896603.db2.gz UTNSZHNISTURLP-KSZLIROESA-N 2 1 337.508 1.534 20 0 EDADMP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536693 707896606 /nfs/dbraw/zinc/89/66/06/707896606.db2.gz UTNSZHNISTURLP-KSZLIROESA-N 2 1 337.508 1.534 20 0 EDADMP CC(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536693 707896611 /nfs/dbraw/zinc/89/66/11/707896611.db2.gz UTNSZHNISTURLP-KSZLIROESA-N 2 1 337.508 1.534 20 0 EDADMP CC(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536693 707896615 /nfs/dbraw/zinc/89/66/15/707896615.db2.gz UTNSZHNISTURLP-KSZLIROESA-N 2 1 337.508 1.534 20 0 EDADMP CN(C)c1ccccc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038094205 707937514 /nfs/dbraw/zinc/93/75/14/707937514.db2.gz BPKLVDIRXCFDKH-WMZOPIPTSA-N 2 1 330.476 1.537 20 0 EDADMP CN(C)c1ccccc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038094205 707937515 /nfs/dbraw/zinc/93/75/15/707937515.db2.gz BPKLVDIRXCFDKH-WMZOPIPTSA-N 2 1 330.476 1.537 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038094205 707937517 /nfs/dbraw/zinc/93/75/17/707937517.db2.gz BPKLVDIRXCFDKH-WMZOPIPTSA-N 2 1 330.476 1.537 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038094205 707937519 /nfs/dbraw/zinc/93/75/19/707937519.db2.gz BPKLVDIRXCFDKH-WMZOPIPTSA-N 2 1 330.476 1.537 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC001033476343 707937526 /nfs/dbraw/zinc/93/75/26/707937526.db2.gz WGNSFLFNZIEHQW-HNNXBMFYSA-N 2 1 336.505 1.908 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001033476343 707937528 /nfs/dbraw/zinc/93/75/28/707937528.db2.gz WGNSFLFNZIEHQW-HNNXBMFYSA-N 2 1 336.505 1.908 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC2(C3CC[NH+](CCO)CC3)CC2)C1 ZINC001000246460 707955306 /nfs/dbraw/zinc/95/53/06/707955306.db2.gz CLZOTRBEWNAIBK-INIZCTEOSA-N 2 1 337.508 1.462 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033472478 707960589 /nfs/dbraw/zinc/96/05/89/707960589.db2.gz WNSDFAFOPBSEJZ-ZWKOTPCHSA-N 2 1 347.507 1.679 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033472478 707960593 /nfs/dbraw/zinc/96/05/93/707960593.db2.gz WNSDFAFOPBSEJZ-ZWKOTPCHSA-N 2 1 347.507 1.679 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033472478 707960597 /nfs/dbraw/zinc/96/05/97/707960597.db2.gz WNSDFAFOPBSEJZ-ZWKOTPCHSA-N 2 1 347.507 1.679 20 0 EDADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCCOC1 ZINC001032802228 708085572 /nfs/dbraw/zinc/08/55/72/708085572.db2.gz RICGRTRZXTZIJV-BZSNNMDCSA-N 2 1 335.492 1.574 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC1CCC1 ZINC001032802711 708089388 /nfs/dbraw/zinc/08/93/88/708089388.db2.gz KUGLEDRIAMNDTM-XYJFISCASA-N 2 1 335.492 1.715 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC1CCC1 ZINC001032802711 708089392 /nfs/dbraw/zinc/08/93/92/708089392.db2.gz KUGLEDRIAMNDTM-XYJFISCASA-N 2 1 335.492 1.715 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032802711 708089395 /nfs/dbraw/zinc/08/93/95/708089395.db2.gz KUGLEDRIAMNDTM-XYJFISCASA-N 2 1 335.492 1.715 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032802711 708089399 /nfs/dbraw/zinc/08/93/99/708089399.db2.gz KUGLEDRIAMNDTM-XYJFISCASA-N 2 1 335.492 1.715 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CC2CCOCC2)CC1 ZINC001001824129 708326472 /nfs/dbraw/zinc/32/64/72/708326472.db2.gz BUCUHRLLGABZJJ-YJBOKZPZSA-N 2 1 337.508 1.439 20 0 EDADMP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC001001835719 708340160 /nfs/dbraw/zinc/34/01/60/708340160.db2.gz ZJOQBSJHXARXFH-KBXCAEBGSA-N 2 1 345.491 1.311 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)co1 ZINC001001831964 708357367 /nfs/dbraw/zinc/35/73/67/708357367.db2.gz BKORSUUYOBOIPL-GUYCJALGSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)co1 ZINC001001831964 708357370 /nfs/dbraw/zinc/35/73/70/708357370.db2.gz BKORSUUYOBOIPL-GUYCJALGSA-N 2 1 334.464 1.509 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](C)O)CC1 ZINC001001911718 708417243 /nfs/dbraw/zinc/41/72/43/708417243.db2.gz PLFJYPCHASFJIP-RDJZCZTQSA-N 2 1 325.497 1.458 20 0 EDADMP CO[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1)C1CCC1 ZINC001033667619 708454778 /nfs/dbraw/zinc/45/47/78/708454778.db2.gz ILRMRBWQRUSVPT-IAGOWNOFSA-N 2 1 334.464 1.539 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1)C1CCC1 ZINC001033667619 708454781 /nfs/dbraw/zinc/45/47/81/708454781.db2.gz ILRMRBWQRUSVPT-IAGOWNOFSA-N 2 1 334.464 1.539 20 0 EDADMP CCc1onc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033659576 708471601 /nfs/dbraw/zinc/47/16/01/708471601.db2.gz DHKAZTXGXSWDBY-GJZGRUSLSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033659576 708471603 /nfs/dbraw/zinc/47/16/03/708471603.db2.gz DHKAZTXGXSWDBY-GJZGRUSLSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033659576 708471605 /nfs/dbraw/zinc/47/16/05/708471605.db2.gz DHKAZTXGXSWDBY-GJZGRUSLSA-N 2 1 334.464 1.530 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)C1 ZINC001002119576 708632802 /nfs/dbraw/zinc/63/28/02/708632802.db2.gz BPLUPPAYRGQUJV-INIZCTEOSA-N 2 1 346.475 1.832 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)C1 ZINC001002119576 708632804 /nfs/dbraw/zinc/63/28/04/708632804.db2.gz BPLUPPAYRGQUJV-INIZCTEOSA-N 2 1 346.475 1.832 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCN(Cc2cc(OC)no2)C1 ZINC001033777014 708703958 /nfs/dbraw/zinc/70/39/58/708703958.db2.gz SECRWPNZLNDOGL-ZFWWWQNUSA-N 2 1 336.436 1.200 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)s1 ZINC001002443062 708962550 /nfs/dbraw/zinc/96/25/50/708962550.db2.gz DEFAJZLEZSGMRE-HNNXBMFYSA-N 2 1 336.505 1.935 20 0 EDADMP CCN1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001016307940 708995473 /nfs/dbraw/zinc/99/54/73/708995473.db2.gz XBJHUXTYLKKTJE-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001016307940 708995475 /nfs/dbraw/zinc/99/54/75/708995475.db2.gz XBJHUXTYLKKTJE-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001016307940 708995477 /nfs/dbraw/zinc/99/54/77/708995477.db2.gz XBJHUXTYLKKTJE-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001016307940 708995479 /nfs/dbraw/zinc/99/54/79/708995479.db2.gz XBJHUXTYLKKTJE-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001016307940 708995481 /nfs/dbraw/zinc/99/54/81/708995481.db2.gz XBJHUXTYLKKTJE-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001002473345 709007596 /nfs/dbraw/zinc/00/75/96/709007596.db2.gz DQHKHXLKIRZMJK-QGZVFWFLSA-N 2 1 333.480 1.175 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033896195 709013698 /nfs/dbraw/zinc/01/36/98/709013698.db2.gz CILGYOLAHPMOLX-CRAIPNDOSA-N 2 1 342.443 1.907 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC001002481495 709032198 /nfs/dbraw/zinc/03/21/98/709032198.db2.gz ULMXAMSQHLUEGY-SFHVURJKSA-N 2 1 331.460 1.870 20 0 EDADMP CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001033942661 709150016 /nfs/dbraw/zinc/15/00/16/709150016.db2.gz XBNXVQMJSFLUCK-DOTOQJQBSA-N 2 1 334.464 1.323 20 0 EDADMP CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001033942661 709150019 /nfs/dbraw/zinc/15/00/19/709150019.db2.gz XBNXVQMJSFLUCK-DOTOQJQBSA-N 2 1 334.464 1.323 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001034039557 709272063 /nfs/dbraw/zinc/27/20/63/709272063.db2.gz KEUQHAICYIXCHA-DLBZAZTESA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001034039557 709272066 /nfs/dbraw/zinc/27/20/66/709272066.db2.gz KEUQHAICYIXCHA-DLBZAZTESA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001034039557 709272069 /nfs/dbraw/zinc/27/20/69/709272069.db2.gz KEUQHAICYIXCHA-DLBZAZTESA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001034039557 709272073 /nfs/dbraw/zinc/27/20/73/709272073.db2.gz KEUQHAICYIXCHA-DLBZAZTESA-N 2 1 331.464 1.160 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001002793175 709401296 /nfs/dbraw/zinc/40/12/96/709401296.db2.gz WJPFGICBCXPEDC-SFHVURJKSA-N 2 1 347.507 1.416 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)C1CC1 ZINC000922062911 709534120 /nfs/dbraw/zinc/53/41/20/709534120.db2.gz BWLJBXQMTPAAKU-ZWKOTPCHSA-N 2 1 330.476 1.900 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)C1CC1 ZINC000922062911 709534124 /nfs/dbraw/zinc/53/41/24/709534124.db2.gz BWLJBXQMTPAAKU-ZWKOTPCHSA-N 2 1 330.476 1.900 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001002953779 709654069 /nfs/dbraw/zinc/65/40/69/709654069.db2.gz CKTOFBWDHGRFPJ-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnoc2C)CC1 ZINC001002955410 709657068 /nfs/dbraw/zinc/65/70/68/709657068.db2.gz NJPDJNBQMJUXMP-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@@H]1CCCc2[nH+]ccn21 ZINC001003000713 709759426 /nfs/dbraw/zinc/75/94/26/709759426.db2.gz DKHPSCQCDWTSIA-INIZCTEOSA-N 2 1 342.447 1.238 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC[N@H+]1C ZINC000702764974 709843432 /nfs/dbraw/zinc/84/34/32/709843432.db2.gz CBDQDPLQVJVXBN-BARDWOONSA-N 2 1 327.469 1.287 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nc(C)[nH+]1 ZINC001061234528 709881041 /nfs/dbraw/zinc/88/10/41/709881041.db2.gz RNQHWHWGLWZYIF-WMZOPIPTSA-N 2 1 345.491 1.861 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001034378032 709899318 /nfs/dbraw/zinc/89/93/18/709899318.db2.gz OAZXWTKMAHNINJ-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP CO[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400020 709943361 /nfs/dbraw/zinc/94/33/61/709943361.db2.gz WSHSBIHKPRRHBQ-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP CO[C@@H](C)C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034400020 709943363 /nfs/dbraw/zinc/94/33/63/709943363.db2.gz WSHSBIHKPRRHBQ-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP CO[C@@H](C)C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034400020 709943365 /nfs/dbraw/zinc/94/33/65/709943365.db2.gz WSHSBIHKPRRHBQ-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cc1 ZINC001003132517 710016637 /nfs/dbraw/zinc/01/66/37/710016637.db2.gz DSFZRKUUJPVTAH-VQIMIIECSA-N 2 1 345.487 1.795 20 0 EDADMP Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cc1 ZINC001003132517 710016639 /nfs/dbraw/zinc/01/66/39/710016639.db2.gz DSFZRKUUJPVTAH-VQIMIIECSA-N 2 1 345.487 1.795 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001003161036 710070783 /nfs/dbraw/zinc/07/07/83/710070783.db2.gz RVWACGNZALLTRY-RBUKOAKNSA-N 2 1 345.487 1.785 20 0 EDADMP Cc1ncccc1C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001003165694 710076958 /nfs/dbraw/zinc/07/69/58/710076958.db2.gz IBFQZJDUOHKTSV-SFHVURJKSA-N 2 1 330.476 1.955 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](CC3CCOCC3)C2)C1 ZINC001034490687 710109395 /nfs/dbraw/zinc/10/93/95/710109395.db2.gz MQIUJFOCWCUYSI-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@H+](CC3CCOCC3)C2)C1 ZINC001034490687 710109396 /nfs/dbraw/zinc/10/93/96/710109396.db2.gz MQIUJFOCWCUYSI-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@@H+](CC3CCOCC3)C2)C1 ZINC001034490687 710109398 /nfs/dbraw/zinc/10/93/98/710109398.db2.gz MQIUJFOCWCUYSI-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](CC3CCOCC3)C2)C1 ZINC001034490684 710109563 /nfs/dbraw/zinc/10/95/63/710109563.db2.gz MQIUJFOCWCUYSI-QZTJIDSGSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@H+](CC3CCOCC3)C2)C1 ZINC001034490684 710109566 /nfs/dbraw/zinc/10/95/66/710109566.db2.gz MQIUJFOCWCUYSI-QZTJIDSGSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@@H+](CC3CCOCC3)C2)C1 ZINC001034490684 710109568 /nfs/dbraw/zinc/10/95/68/710109568.db2.gz MQIUJFOCWCUYSI-QZTJIDSGSA-N 2 1 337.508 1.726 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](Cc2cccnc2)C1)C12CC[NH+](CC1)C2 ZINC001034487548 710135018 /nfs/dbraw/zinc/13/50/18/710135018.db2.gz OMHOTORESWEJSV-KRWDZBQOSA-N 2 1 328.460 1.648 20 0 EDADMP COc1ncccc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525668 710176009 /nfs/dbraw/zinc/17/60/09/710176009.db2.gz OJKSQMYBXPUMRJ-WBVHZDCISA-N 2 1 346.475 1.513 20 0 EDADMP COc1ncccc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525668 710176012 /nfs/dbraw/zinc/17/60/12/710176012.db2.gz OJKSQMYBXPUMRJ-WBVHZDCISA-N 2 1 346.475 1.513 20 0 EDADMP COc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034525668 710176015 /nfs/dbraw/zinc/17/60/15/710176015.db2.gz OJKSQMYBXPUMRJ-WBVHZDCISA-N 2 1 346.475 1.513 20 0 EDADMP COc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034525668 710176017 /nfs/dbraw/zinc/17/60/17/710176017.db2.gz OJKSQMYBXPUMRJ-WBVHZDCISA-N 2 1 346.475 1.513 20 0 EDADMP Cc1cccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034525871 710176983 /nfs/dbraw/zinc/17/69/83/710176983.db2.gz QRJGWUAJBLNICM-IAGOWNOFSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1cccnc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525871 710176984 /nfs/dbraw/zinc/17/69/84/710176984.db2.gz QRJGWUAJBLNICM-IAGOWNOFSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1cccnc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525871 710176987 /nfs/dbraw/zinc/17/69/87/710176987.db2.gz QRJGWUAJBLNICM-IAGOWNOFSA-N 2 1 330.476 1.812 20 0 EDADMP COc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034526209 710178421 /nfs/dbraw/zinc/17/84/21/710178421.db2.gz VYSLYLKIMUDESO-IRXDYDNUSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034526209 710178425 /nfs/dbraw/zinc/17/84/25/710178425.db2.gz VYSLYLKIMUDESO-IRXDYDNUSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034526209 710178443 /nfs/dbraw/zinc/17/84/43/710178443.db2.gz VYSLYLKIMUDESO-IRXDYDNUSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034526209 710178444 /nfs/dbraw/zinc/17/84/44/710178444.db2.gz VYSLYLKIMUDESO-IRXDYDNUSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001034529463 710184882 /nfs/dbraw/zinc/18/48/82/710184882.db2.gz HOSHOEQCHDMOKS-SJORKVTESA-N 2 1 334.464 1.731 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001034529463 710184883 /nfs/dbraw/zinc/18/48/83/710184883.db2.gz HOSHOEQCHDMOKS-SJORKVTESA-N 2 1 334.464 1.731 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2cccnc2C)CC1 ZINC001003312841 710241288 /nfs/dbraw/zinc/24/12/88/710241288.db2.gz QOFNHNOSMQPWFW-UHFFFAOYSA-N 2 1 327.432 1.676 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC001034606705 710269968 /nfs/dbraw/zinc/26/99/68/710269968.db2.gz ASFAPHPJFBXBKU-KONPQCLYSA-N 2 1 345.491 1.957 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034642159 710317916 /nfs/dbraw/zinc/31/79/16/710317916.db2.gz ADBQYMFQWIXNBB-BQFCYCMXSA-N 2 1 347.507 1.810 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1 ZINC001034646161 710322257 /nfs/dbraw/zinc/32/22/57/710322257.db2.gz DDQXOBIPUUHNTM-XLAORIBOSA-N 2 1 337.508 1.913 20 0 EDADMP Cc1ncoc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001003491365 710373883 /nfs/dbraw/zinc/37/38/83/710373883.db2.gz DNANXIAHGIPJNA-ZFWWWQNUSA-N 2 1 334.464 1.794 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001003622127 710451931 /nfs/dbraw/zinc/45/19/31/710451931.db2.gz NYMLCLDNIFTDJQ-ZFWWWQNUSA-N 2 1 334.464 1.369 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001003636603 710456859 /nfs/dbraw/zinc/45/68/59/710456859.db2.gz WQGXTVABAIRPMA-SWLSCSKDSA-N 2 1 329.435 1.810 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001003628499 710458659 /nfs/dbraw/zinc/45/86/59/710458659.db2.gz RBDGSIAXVPEWAS-CXAGYDPISA-N 2 1 329.460 1.160 20 0 EDADMP Cn1cc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)cn1 ZINC001003628697 710458664 /nfs/dbraw/zinc/45/86/64/710458664.db2.gz UKKRILRHOZXFPQ-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003737127 710518587 /nfs/dbraw/zinc/51/85/87/710518587.db2.gz GMYNDMHRWCROBQ-DOTOQJQBSA-N 2 1 325.497 1.865 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001003737199 710518608 /nfs/dbraw/zinc/51/86/08/710518608.db2.gz JVODXOVEORUAKM-GOSISDBHSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001003737199 710518610 /nfs/dbraw/zinc/51/86/10/710518610.db2.gz JVODXOVEORUAKM-GOSISDBHSA-N 2 1 347.507 1.764 20 0 EDADMP Cn1nccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034673455 710611253 /nfs/dbraw/zinc/61/12/53/710611253.db2.gz ATAHAVGMOGFAQQ-BFYDXBDKSA-N 2 1 333.480 1.421 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC001034674963 710626360 /nfs/dbraw/zinc/62/63/60/710626360.db2.gz VXIOHPIBNNYRDV-BFYDXBDKSA-N 2 1 348.495 1.299 20 0 EDADMP CC[C@H](C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)OC ZINC001005586114 710633214 /nfs/dbraw/zinc/63/32/14/710633214.db2.gz VFZHHDJNCNJPTC-DJIMGWMZSA-N 2 1 341.496 1.053 20 0 EDADMP CC[C@H](C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)OC ZINC001005586114 710633218 /nfs/dbraw/zinc/63/32/18/710633218.db2.gz VFZHHDJNCNJPTC-DJIMGWMZSA-N 2 1 341.496 1.053 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)CC2)n1 ZINC001034692671 710782455 /nfs/dbraw/zinc/78/24/55/710782455.db2.gz NQECTEUWDUWQHV-WKILWMFISA-N 2 1 344.463 1.625 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCCO3)CC2)C1 ZINC001034733396 710913795 /nfs/dbraw/zinc/91/37/95/710913795.db2.gz BHYYCGYYRVGUNV-BRSBDYLESA-N 2 1 337.508 1.914 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC001034735451 710920921 /nfs/dbraw/zinc/92/09/21/710920921.db2.gz HMEMGLXWDNRHKP-BRSBDYLESA-N 2 1 337.508 1.914 20 0 EDADMP CN(C)c1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032944479 710921299 /nfs/dbraw/zinc/92/12/99/710921299.db2.gz LBGXFEZQIMRBPL-RTBURBONSA-N 2 1 344.503 1.880 20 0 EDADMP CN(C)c1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001032944479 710921303 /nfs/dbraw/zinc/92/13/03/710921303.db2.gz LBGXFEZQIMRBPL-RTBURBONSA-N 2 1 344.503 1.880 20 0 EDADMP CN(C)c1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001032944479 710921307 /nfs/dbraw/zinc/92/13/07/710921307.db2.gz LBGXFEZQIMRBPL-RTBURBONSA-N 2 1 344.503 1.880 20 0 EDADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032944890 710922888 /nfs/dbraw/zinc/92/28/88/710922888.db2.gz LYOQLOKWSIKLTA-RHSMWYFYSA-N 2 1 334.464 1.672 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032944890 710922890 /nfs/dbraw/zinc/92/28/90/710922890.db2.gz LYOQLOKWSIKLTA-RHSMWYFYSA-N 2 1 334.464 1.672 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032944890 710922893 /nfs/dbraw/zinc/92/28/93/710922893.db2.gz LYOQLOKWSIKLTA-RHSMWYFYSA-N 2 1 334.464 1.672 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032944890 710922897 /nfs/dbraw/zinc/92/28/97/710922897.db2.gz LYOQLOKWSIKLTA-RHSMWYFYSA-N 2 1 334.464 1.672 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034736742 710924252 /nfs/dbraw/zinc/92/42/52/710924252.db2.gz AXQLDCQVYZZHKO-QBYUYEEZSA-N 2 1 333.480 1.135 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001034737021 710948698 /nfs/dbraw/zinc/94/86/98/710948698.db2.gz GTNLFAOGIDWLAQ-KBUPBQIOSA-N 2 1 349.479 1.347 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001034737021 710948700 /nfs/dbraw/zinc/94/87/00/710948700.db2.gz GTNLFAOGIDWLAQ-KBUPBQIOSA-N 2 1 349.479 1.347 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)o1 ZINC001032960295 710968416 /nfs/dbraw/zinc/96/84/16/710968416.db2.gz QRYRAODKJNDCHW-CABCVRRESA-N 2 1 334.464 1.672 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)o1 ZINC001032960295 710968419 /nfs/dbraw/zinc/96/84/19/710968419.db2.gz QRYRAODKJNDCHW-CABCVRRESA-N 2 1 334.464 1.672 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001032960295 710968422 /nfs/dbraw/zinc/96/84/22/710968422.db2.gz QRYRAODKJNDCHW-CABCVRRESA-N 2 1 334.464 1.672 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001032960295 710968424 /nfs/dbraw/zinc/96/84/24/710968424.db2.gz QRYRAODKJNDCHW-CABCVRRESA-N 2 1 334.464 1.672 20 0 EDADMP COCc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001032969390 711047949 /nfs/dbraw/zinc/04/79/49/711047949.db2.gz WKIHRVBEJKZZDT-MOPGFXCFSA-N 2 1 345.487 1.960 20 0 EDADMP COCc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001032969390 711047953 /nfs/dbraw/zinc/04/79/53/711047953.db2.gz WKIHRVBEJKZZDT-MOPGFXCFSA-N 2 1 345.487 1.960 20 0 EDADMP COCc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001032969390 711047958 /nfs/dbraw/zinc/04/79/58/711047958.db2.gz WKIHRVBEJKZZDT-MOPGFXCFSA-N 2 1 345.487 1.960 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034796049 711115746 /nfs/dbraw/zinc/11/57/46/711115746.db2.gz COAMXFAVAJBIFT-BIQWYFBQSA-N 2 1 335.452 1.459 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)o1 ZINC001034796570 711128645 /nfs/dbraw/zinc/12/86/45/711128645.db2.gz JAMDJPXEZNRRML-RRCSTGOVSA-N 2 1 349.479 1.768 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC001005719656 711143677 /nfs/dbraw/zinc/14/36/77/711143677.db2.gz UCKALMQDVYPJLC-QFBILLFUSA-N 2 1 346.475 1.541 20 0 EDADMP CCn1ccnc1CN1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003968707 711144130 /nfs/dbraw/zinc/14/41/30/711144130.db2.gz SZSZFLIQVVUICK-HNNXBMFYSA-N 2 1 333.480 1.325 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001003977757 711150884 /nfs/dbraw/zinc/15/08/84/711150884.db2.gz XDOZIJMLACOARK-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP Cn1nccc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001034811152 711173713 /nfs/dbraw/zinc/17/37/13/711173713.db2.gz RGMCDIWYSXSDFK-SFHVURJKSA-N 2 1 341.459 1.420 20 0 EDADMP Cc1nocc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001034830787 711236613 /nfs/dbraw/zinc/23/66/13/711236613.db2.gz DUDHWHJIAXSCCY-KRWDZBQOSA-N 2 1 342.443 1.841 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncnn1C(C)(C)C ZINC001034882947 711284349 /nfs/dbraw/zinc/28/43/49/711284349.db2.gz ITVCQIRFFJCRAA-CABCVRRESA-N 2 1 348.495 1.208 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncnn1C(C)(C)C ZINC001034882947 711284353 /nfs/dbraw/zinc/28/43/53/711284353.db2.gz ITVCQIRFFJCRAA-CABCVRRESA-N 2 1 348.495 1.208 20 0 EDADMP COc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001034885138 711288876 /nfs/dbraw/zinc/28/88/76/711288876.db2.gz PFGDMUTWHIRQSQ-SJLPKXTDSA-N 2 1 331.460 1.870 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001034937019 711437335 /nfs/dbraw/zinc/43/73/35/711437335.db2.gz ZDNWXCYCDXOCIY-IAGOWNOFSA-N 2 1 333.480 1.374 20 0 EDADMP CN(C)c1cc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)ccn1 ZINC001004145811 711555954 /nfs/dbraw/zinc/55/59/54/711555954.db2.gz VFHMSWFVPPDVAD-INIZCTEOSA-N 2 1 345.491 1.180 20 0 EDADMP CO[C@H](C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001004149183 711563306 /nfs/dbraw/zinc/56/33/06/711563306.db2.gz FRHJXXYTYVRQPP-PKOBYXMFSA-N 2 1 345.487 1.906 20 0 EDADMP CO[C@@H](C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C)CC1)C1CCCC1 ZINC001004161077 711587366 /nfs/dbraw/zinc/58/73/66/711587366.db2.gz QDKHDNNMIYSGBN-SFHVURJKSA-N 2 1 348.491 1.977 20 0 EDADMP O=C(N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1)C12CCC[NH+]1CCC2 ZINC001004476757 711856895 /nfs/dbraw/zinc/85/68/95/711856895.db2.gz NNSTUCCYLJVSRR-SFHVURJKSA-N 2 1 349.519 1.700 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)o1 ZINC001033144590 711980751 /nfs/dbraw/zinc/98/07/51/711980751.db2.gz YWSNZUUJZXLEAG-DLBZAZTESA-N 2 1 348.491 1.994 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)o1 ZINC001033144590 711980753 /nfs/dbraw/zinc/98/07/53/711980753.db2.gz YWSNZUUJZXLEAG-DLBZAZTESA-N 2 1 348.491 1.994 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)o1 ZINC001033144590 711980757 /nfs/dbraw/zinc/98/07/57/711980757.db2.gz YWSNZUUJZXLEAG-DLBZAZTESA-N 2 1 348.491 1.994 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)o1 ZINC001033144590 711980759 /nfs/dbraw/zinc/98/07/59/711980759.db2.gz YWSNZUUJZXLEAG-DLBZAZTESA-N 2 1 348.491 1.994 20 0 EDADMP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631665 712020904 /nfs/dbraw/zinc/02/09/04/712020904.db2.gz SJGGOUWCFKWREZ-FJIDUMEYSA-N 2 1 337.508 1.412 20 0 EDADMP C[C@H](O)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631665 712020907 /nfs/dbraw/zinc/02/09/07/712020907.db2.gz SJGGOUWCFKWREZ-FJIDUMEYSA-N 2 1 337.508 1.412 20 0 EDADMP C[C@H](O)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631665 712020908 /nfs/dbraw/zinc/02/09/08/712020908.db2.gz SJGGOUWCFKWREZ-FJIDUMEYSA-N 2 1 337.508 1.412 20 0 EDADMP CO[C@@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608410 712061031 /nfs/dbraw/zinc/06/10/31/712061031.db2.gz ZJJCNXKSXLJXLD-FUHWJXTLSA-N 2 1 349.519 1.820 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3Cc3cnon3)CC2)C1 ZINC001004616961 712076632 /nfs/dbraw/zinc/07/66/32/712076632.db2.gz NICLKFUQUPEJDO-WBVHZDCISA-N 2 1 347.463 1.224 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3Cc3cnon3)CC2)C1 ZINC001004616961 712076635 /nfs/dbraw/zinc/07/66/35/712076635.db2.gz NICLKFUQUPEJDO-WBVHZDCISA-N 2 1 347.463 1.224 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3Cc3cnon3)CC2)C1 ZINC001004616961 712076636 /nfs/dbraw/zinc/07/66/36/712076636.db2.gz NICLKFUQUPEJDO-WBVHZDCISA-N 2 1 347.463 1.224 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004620842 712082387 /nfs/dbraw/zinc/08/23/87/712082387.db2.gz RILPUJNJEZJIIM-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004620842 712082390 /nfs/dbraw/zinc/08/23/90/712082390.db2.gz RILPUJNJEZJIIM-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001004620842 712082392 /nfs/dbraw/zinc/08/23/92/712082392.db2.gz RILPUJNJEZJIIM-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004620842 712082395 /nfs/dbraw/zinc/08/23/95/712082395.db2.gz RILPUJNJEZJIIM-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCN(Cc2cncn2C)C1 ZINC001033152244 712145816 /nfs/dbraw/zinc/14/58/16/712145816.db2.gz NUOSBSBHBNQEKZ-IAGOWNOFSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033152244 712145820 /nfs/dbraw/zinc/14/58/20/712145820.db2.gz NUOSBSBHBNQEKZ-IAGOWNOFSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033152244 712145822 /nfs/dbraw/zinc/14/58/22/712145822.db2.gz NUOSBSBHBNQEKZ-IAGOWNOFSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033152244 712145824 /nfs/dbraw/zinc/14/58/24/712145824.db2.gz NUOSBSBHBNQEKZ-IAGOWNOFSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033152244 712145826 /nfs/dbraw/zinc/14/58/26/712145826.db2.gz NUOSBSBHBNQEKZ-IAGOWNOFSA-N 2 1 347.507 1.716 20 0 EDADMP Cc1nc2c([nH]1)C[C@@H](C(=O)N1CC[C@H]3C[N@H+](CCF)C[C@H]3CC1)CC2 ZINC000946651852 712200681 /nfs/dbraw/zinc/20/06/81/712200681.db2.gz GSHMNQYJWCXQSX-HRCADAONSA-N 2 1 348.466 1.963 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000557632973 306231389 /nfs/dbraw/zinc/23/13/89/306231389.db2.gz XLSYCGLXGKEUGD-INIZCTEOSA-N 2 1 345.487 1.601 20 0 EDADMP Cn1ccc(N2CCC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C2=O)n1 ZINC000173778282 231031175 /nfs/dbraw/zinc/03/11/75/231031175.db2.gz RSLCMZSXEJOOMY-LSDHHAIUSA-N 2 1 335.496 1.872 20 0 EDADMP CCC(CC)[C@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000152750552 282254696 /nfs/dbraw/zinc/25/46/96/282254696.db2.gz ZFBGNEGYJVJCMA-DOTOQJQBSA-N 2 1 325.497 1.629 20 0 EDADMP C[NH+](C)[C@]1(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CCCSC1 ZINC000369360618 282273678 /nfs/dbraw/zinc/27/36/78/282273678.db2.gz YALBGNFGSHCZJI-DOTOQJQBSA-N 2 1 325.522 1.947 20 0 EDADMP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158850250 529880688 /nfs/dbraw/zinc/88/06/88/529880688.db2.gz VMIMALCDWFBQTO-GJZGRUSLSA-N 2 1 338.496 1.807 20 0 EDADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1[NH+](C)C ZINC000433457012 305109745 /nfs/dbraw/zinc/10/97/45/305109745.db2.gz OBTXMONPLAIKHA-OAGGEKHMSA-N 2 1 326.485 1.079 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000165803893 530068416 /nfs/dbraw/zinc/06/84/16/530068416.db2.gz PWGPQIFYEUMPQP-QGZVFWFLSA-N 2 1 344.459 1.084 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@H](C(C)C)N1CCOCC1)C(C)C ZINC000102551474 219210491 /nfs/dbraw/zinc/21/04/91/219210491.db2.gz GMKQVXLZHHGTLH-MRXNPFEDSA-N 2 1 328.501 1.373 20 0 EDADMP CC[N@H+](CCNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC000102551474 219210493 /nfs/dbraw/zinc/21/04/93/219210493.db2.gz GMKQVXLZHHGTLH-MRXNPFEDSA-N 2 1 328.501 1.373 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC000102551474 219210496 /nfs/dbraw/zinc/21/04/96/219210496.db2.gz GMKQVXLZHHGTLH-MRXNPFEDSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000561166623 306283783 /nfs/dbraw/zinc/28/37/83/306283783.db2.gz UARPKCJXBDKWMK-WDSOQIARSA-N 2 1 344.503 1.930 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000412701558 304028652 /nfs/dbraw/zinc/02/86/52/304028652.db2.gz UHCFMWSANZSJIQ-MJGOQNOKSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000412701558 304028654 /nfs/dbraw/zinc/02/86/54/304028654.db2.gz UHCFMWSANZSJIQ-MJGOQNOKSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1Cc1ccccc1 ZINC000412701558 304028655 /nfs/dbraw/zinc/02/86/55/304028655.db2.gz UHCFMWSANZSJIQ-MJGOQNOKSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC[NH+]1Cc1ccccc1 ZINC000412701558 304028656 /nfs/dbraw/zinc/02/86/56/304028656.db2.gz UHCFMWSANZSJIQ-MJGOQNOKSA-N 2 1 342.487 1.109 20 0 EDADMP CC(C)[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000236682031 535187430 /nfs/dbraw/zinc/18/74/30/535187430.db2.gz ZBGKDJIXTCCGOA-DOTOQJQBSA-N 2 1 325.497 1.485 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H](C)O1 ZINC000352922390 539928879 /nfs/dbraw/zinc/92/88/79/539928879.db2.gz REGBFPXYDWKEPZ-YJJCSNFXSA-N 2 1 325.497 1.014 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000352922390 539928887 /nfs/dbraw/zinc/92/88/87/539928887.db2.gz REGBFPXYDWKEPZ-YJJCSNFXSA-N 2 1 325.497 1.014 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1 ZINC000352922390 539928891 /nfs/dbraw/zinc/92/88/91/539928891.db2.gz REGBFPXYDWKEPZ-YJJCSNFXSA-N 2 1 325.497 1.014 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCOC3)c2)C1 ZINC000156941749 539959958 /nfs/dbraw/zinc/95/99/58/539959958.db2.gz ONCKVISJMROTLF-QZTJIDSGSA-N 2 1 331.460 1.653 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000562949524 306313337 /nfs/dbraw/zinc/31/33/37/306313337.db2.gz HRWJPDSZTWMGGU-IEBWSBKVSA-N 2 1 331.460 1.176 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000179622314 283051017 /nfs/dbraw/zinc/05/10/17/283051017.db2.gz ABLZCIGZFSSHAK-MSOLQXFVSA-N 2 1 346.475 1.453 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000179622314 283051019 /nfs/dbraw/zinc/05/10/19/283051019.db2.gz ABLZCIGZFSSHAK-MSOLQXFVSA-N 2 1 346.475 1.453 20 0 EDADMP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NCc1ccccc1F ZINC000051957968 138136793 /nfs/dbraw/zinc/13/67/93/138136793.db2.gz KCMJODAAGNWAEW-UHFFFAOYSA-N 2 1 349.450 1.486 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000563583809 306339815 /nfs/dbraw/zinc/33/98/15/306339815.db2.gz AVZBMBGWNHIUDD-CGTJXYLNSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[NH+]1CCSCC1 ZINC000132430173 138376585 /nfs/dbraw/zinc/37/65/85/138376585.db2.gz MLSTYMGLOGOFTJ-JKSUJKDBSA-N 2 1 325.522 1.758 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[NH+]1CCSCC1 ZINC000132430770 138376852 /nfs/dbraw/zinc/37/68/52/138376852.db2.gz MLSTYMGLOGOFTJ-CVEARBPZSA-N 2 1 325.522 1.758 20 0 EDADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000563697961 306345328 /nfs/dbraw/zinc/34/53/28/306345328.db2.gz WWNPSLJSNUAEDD-OAHLLOKOSA-N 2 1 332.448 1.971 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H](N)c2cscn2)CCN1CCOC ZINC000563814941 306348390 /nfs/dbraw/zinc/34/83/90/306348390.db2.gz YOYHJRIIFPDAEA-JSGCOSHPSA-N 2 1 326.466 1.102 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000414004219 304094025 /nfs/dbraw/zinc/09/40/25/304094025.db2.gz HGUKSFLBSFPWFO-SFHVURJKSA-N 2 1 330.476 1.258 20 0 EDADMP C[NH+](C)CC1(CNC(=O)CCCC[NH+]2CCOCC2)CCCC1 ZINC000185082801 138800859 /nfs/dbraw/zinc/80/08/59/138800859.db2.gz TZAKXASOHNLGEP-UHFFFAOYSA-N 2 1 325.497 1.727 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000565616544 306387749 /nfs/dbraw/zinc/38/77/49/306387749.db2.gz ANWWCGWANGOKPJ-INIZCTEOSA-N 2 1 325.497 1.602 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC000414556212 304122051 /nfs/dbraw/zinc/12/20/51/304122051.db2.gz JLSAOLJWIGHEKJ-MJGOQNOKSA-N 2 1 333.476 1.004 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000414694840 304128323 /nfs/dbraw/zinc/12/83/23/304128323.db2.gz GFEODWVBHCKWRQ-IAGOWNOFSA-N 2 1 342.443 1.014 20 0 EDADMP COc1ccc2c(c1)CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000414744200 304135911 /nfs/dbraw/zinc/13/59/11/304135911.db2.gz JKZXTFFGTNDVIO-HNNXBMFYSA-N 2 1 331.460 1.293 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)C1 ZINC000414762105 304138123 /nfs/dbraw/zinc/13/81/23/304138123.db2.gz VKNXLXDUTNGNLU-AZUAARDMSA-N 2 1 345.487 1.253 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)C1 ZINC000414763004 304138162 /nfs/dbraw/zinc/13/81/62/304138162.db2.gz WVYDXVNAJWBJER-YLJYHZDGSA-N 2 1 345.487 1.210 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772720 304139489 /nfs/dbraw/zinc/13/94/89/304139489.db2.gz VHNYFDNLIGVWSS-CALCHBBNSA-N 2 1 348.491 1.883 20 0 EDADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000414816690 304144451 /nfs/dbraw/zinc/14/44/51/304144451.db2.gz XUAGFPZKRQLGMO-QGZVFWFLSA-N 2 1 337.489 1.475 20 0 EDADMP Cc1c(C(=O)N2CC[NH2+]Cc3ccccc32)nnn1C1CC[NH2+]CC1 ZINC000566797969 306428956 /nfs/dbraw/zinc/42/89/56/306428956.db2.gz SHYQYULKNVTTIL-UHFFFAOYSA-N 2 1 340.431 1.261 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OCc1cccnc1 ZINC000415030287 304152390 /nfs/dbraw/zinc/15/23/90/304152390.db2.gz DVFTZYHBIHBPMZ-MNZLEMJZSA-N 2 1 325.412 1.977 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000415043110 304153837 /nfs/dbraw/zinc/15/38/37/304153837.db2.gz AEEBYUKDJQRBSU-CQSZACIVSA-N 2 1 330.432 1.413 20 0 EDADMP CC[N@@H+](CCNC(=O)NCc1ccc(-n2ccnc2C)nc1)C1CC1 ZINC000101985114 204029296 /nfs/dbraw/zinc/02/92/96/204029296.db2.gz XAOUFNNQAJXBHU-UHFFFAOYSA-N 2 1 342.447 1.859 20 0 EDADMP CC[N@H+](CCNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)C1CC1 ZINC000101985114 204029300 /nfs/dbraw/zinc/02/93/00/204029300.db2.gz XAOUFNNQAJXBHU-UHFFFAOYSA-N 2 1 342.447 1.859 20 0 EDADMP COc1cccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1OC ZINC000415131752 304162579 /nfs/dbraw/zinc/16/25/79/304162579.db2.gz JWLXFBOUESKWDY-CVEARBPZSA-N 2 1 332.444 1.904 20 0 EDADMP COc1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1OC ZINC000195156175 139008189 /nfs/dbraw/zinc/00/81/89/139008189.db2.gz JGCSGKGGTGODJZ-INIZCTEOSA-N 2 1 347.459 1.442 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000195154540 139008200 /nfs/dbraw/zinc/00/82/00/139008200.db2.gz LCLBNWLIQIGLEC-GOSISDBHSA-N 2 1 344.503 1.440 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000376872162 296184272 /nfs/dbraw/zinc/18/42/72/296184272.db2.gz IYUJKUFAZGEDRB-BPQIPLTHSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000376872162 296184276 /nfs/dbraw/zinc/18/42/76/296184276.db2.gz IYUJKUFAZGEDRB-BPQIPLTHSA-N 2 1 346.475 1.140 20 0 EDADMP CC[C@@H](C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000125310433 205003804 /nfs/dbraw/zinc/00/38/04/205003804.db2.gz ZXIUCVNCEFUWRQ-AEFFLSMTSA-N 2 1 332.492 1.654 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@@H]1C[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237508869 139052874 /nfs/dbraw/zinc/05/28/74/139052874.db2.gz IPJUMAFTOZXLIP-WMLDXEAASA-N 2 1 334.439 1.286 20 0 EDADMP C[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000237584243 139054836 /nfs/dbraw/zinc/05/48/36/139054836.db2.gz WJFSKGYSPIGXHO-FXAWDEMLSA-N 2 1 344.503 1.846 20 0 EDADMP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)C[C@H](C)O1 ZINC000237606989 139055489 /nfs/dbraw/zinc/05/54/89/139055489.db2.gz MQXDRIIMYUVTHH-IJEWVQPXSA-N 2 1 341.521 1.387 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)C[C@H](C)O1 ZINC000237606989 139055490 /nfs/dbraw/zinc/05/54/90/139055490.db2.gz MQXDRIIMYUVTHH-IJEWVQPXSA-N 2 1 341.521 1.387 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000111794366 220191415 /nfs/dbraw/zinc/19/14/15/220191415.db2.gz BBKJBZNBVJZMOE-ZWKOTPCHSA-N 2 1 348.491 1.699 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000111834925 220202394 /nfs/dbraw/zinc/20/23/94/220202394.db2.gz ORZVFURPPANZTL-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP [NH3+]Cc1nc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cs1 ZINC000238031234 139067165 /nfs/dbraw/zinc/06/71/65/139067165.db2.gz NLEPNQQRFPVBGP-UHFFFAOYSA-N 2 1 338.477 1.367 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)NC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000157074803 206115118 /nfs/dbraw/zinc/11/51/18/206115118.db2.gz RFZBQXOGHUHVNA-HOCLYGCPSA-N 2 1 332.448 1.556 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)NC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000157074803 206115121 /nfs/dbraw/zinc/11/51/21/206115121.db2.gz RFZBQXOGHUHVNA-HOCLYGCPSA-N 2 1 332.448 1.556 20 0 EDADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)NC(N)=O)CC[NH+]1Cc1ccccc1 ZINC000157074803 206115125 /nfs/dbraw/zinc/11/51/25/206115125.db2.gz RFZBQXOGHUHVNA-HOCLYGCPSA-N 2 1 332.448 1.556 20 0 EDADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)NC(N)=O)CC[NH+]1Cc1ccccc1 ZINC000157074803 206115126 /nfs/dbraw/zinc/11/51/26/206115126.db2.gz RFZBQXOGHUHVNA-HOCLYGCPSA-N 2 1 332.448 1.556 20 0 EDADMP C[C@@H](c1ccc(NC(=O)C2(C[NH3+])CCOCC2)cc1)[NH+]1CCOCC1 ZINC000262089353 296229242 /nfs/dbraw/zinc/22/92/42/296229242.db2.gz CYEGAYBEYFLLPB-HNNXBMFYSA-N 2 1 347.459 1.774 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266006445 248022433 /nfs/dbraw/zinc/02/24/33/248022433.db2.gz RDRNTCQTSBLWHS-NZSAHSFTSA-N 2 1 345.487 1.686 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266006445 248022437 /nfs/dbraw/zinc/02/24/37/248022437.db2.gz RDRNTCQTSBLWHS-NZSAHSFTSA-N 2 1 345.487 1.686 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266006445 248022438 /nfs/dbraw/zinc/02/24/38/248022438.db2.gz RDRNTCQTSBLWHS-NZSAHSFTSA-N 2 1 345.487 1.686 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266006445 248022441 /nfs/dbraw/zinc/02/24/41/248022441.db2.gz RDRNTCQTSBLWHS-NZSAHSFTSA-N 2 1 345.487 1.686 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NC2CCOCC2)[C@@H](C)C1 ZINC000249416602 139193054 /nfs/dbraw/zinc/19/30/54/139193054.db2.gz GQWBRCNLAMKPJQ-RDJZCZTQSA-N 2 1 341.496 1.008 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NC2CCOCC2)[C@@H](C)C1 ZINC000249416602 139193055 /nfs/dbraw/zinc/19/30/55/139193055.db2.gz GQWBRCNLAMKPJQ-RDJZCZTQSA-N 2 1 341.496 1.008 20 0 EDADMP CC(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261610755 139210744 /nfs/dbraw/zinc/21/07/44/139210744.db2.gz DPHCITVNGMTQGZ-MRXNPFEDSA-N 2 1 346.475 1.535 20 0 EDADMP CC(C)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261610755 139210745 /nfs/dbraw/zinc/21/07/45/139210745.db2.gz DPHCITVNGMTQGZ-MRXNPFEDSA-N 2 1 346.475 1.535 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261629660 139212793 /nfs/dbraw/zinc/21/27/93/139212793.db2.gz HEXPPOHRRBHZCC-AEFFLSMTSA-N 2 1 331.460 1.775 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261670805 139216131 /nfs/dbraw/zinc/21/61/31/139216131.db2.gz BUUQEXIKGFMCFQ-RDJZCZTQSA-N 2 1 331.460 1.664 20 0 EDADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261693561 139218099 /nfs/dbraw/zinc/21/80/99/139218099.db2.gz JHAFXHSBWBDXBI-LBPRGKRZSA-N 2 1 327.375 1.713 20 0 EDADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261693561 139218100 /nfs/dbraw/zinc/21/81/00/139218100.db2.gz JHAFXHSBWBDXBI-LBPRGKRZSA-N 2 1 327.375 1.713 20 0 EDADMP COc1cccc(C(=O)NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261864387 139232406 /nfs/dbraw/zinc/23/24/06/139232406.db2.gz CNQGZSPJJJMIRT-KURKYZTESA-N 2 1 347.459 1.172 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)CC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000261867648 139232633 /nfs/dbraw/zinc/23/26/33/139232633.db2.gz QGLITEJLAWVVMH-SFHVURJKSA-N 2 1 344.503 1.440 20 0 EDADMP Cc1ncsc1CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261965782 139240551 /nfs/dbraw/zinc/24/05/51/139240551.db2.gz YILNQKRRCDACQB-GJZGRUSLSA-N 2 1 336.505 1.574 20 0 EDADMP Fc1ccc(Cn2cc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cn2)cc1 ZINC000262129394 139253484 /nfs/dbraw/zinc/25/34/84/139253484.db2.gz NPXGQCQXEVRDKP-IBGZPJMESA-N 2 1 343.450 1.550 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262257050 139264130 /nfs/dbraw/zinc/26/41/30/139264130.db2.gz LXZPUQDTONPYRX-INIZCTEOSA-N 2 1 333.480 1.152 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)[NH+](C)C ZINC000416832036 251111434 /nfs/dbraw/zinc/11/14/34/251111434.db2.gz IDXYSYIXHVLASX-MAUKXSAKSA-N 2 1 334.464 1.678 20 0 EDADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417089890 251141266 /nfs/dbraw/zinc/14/12/66/251141266.db2.gz SGWMYQDQAVFFEU-IPMKNSEASA-N 2 1 342.487 1.902 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417222551 251147909 /nfs/dbraw/zinc/14/79/09/251147909.db2.gz QGBVBKNAHSVBDJ-TWMKSMIVSA-N 2 1 336.524 1.994 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417573698 251192541 /nfs/dbraw/zinc/19/25/41/251192541.db2.gz XPIIASUQSRYBMT-WMLDXEAASA-N 2 1 334.464 1.616 20 0 EDADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262387043 139275274 /nfs/dbraw/zinc/27/52/74/139275274.db2.gz MEAUALILEQNVGT-OOHRUWKFSA-N 2 1 329.444 1.021 20 0 EDADMP COC[C@@]1(CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000417594638 251202507 /nfs/dbraw/zinc/20/25/07/251202507.db2.gz WOIBDSKUOVBTID-APWZRJJASA-N 2 1 348.491 1.575 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000417667221 251220989 /nfs/dbraw/zinc/22/09/89/251220989.db2.gz GFUNCOBGTIJKRP-JYJNAYRXSA-N 2 1 326.485 1.175 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000417667355 251221192 /nfs/dbraw/zinc/22/11/92/251221192.db2.gz GJQGSEMAULDFSE-JYJNAYRXSA-N 2 1 326.485 1.127 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000417667392 251221402 /nfs/dbraw/zinc/22/14/02/251221402.db2.gz GRIBJLVQQUXYSY-BBWFWOEESA-N 2 1 340.512 1.565 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000417669851 251223389 /nfs/dbraw/zinc/22/33/89/251223389.db2.gz NCSNRHASSMSDET-WCXIOVBPSA-N 2 1 340.512 1.550 20 0 EDADMP C[C@H]1CCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000417828517 251286902 /nfs/dbraw/zinc/28/69/02/251286902.db2.gz QHDYIKJPONPKMC-GOEBONIOSA-N 2 1 336.455 1.884 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000262483162 139281465 /nfs/dbraw/zinc/28/14/65/139281465.db2.gz ZVNLIWUZRNDGFQ-CJNGLKHVSA-N 2 1 328.416 1.736 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000417991804 251319682 /nfs/dbraw/zinc/31/96/82/251319682.db2.gz LQCLHCHXZJGTQT-ZWKOTPCHSA-N 2 1 346.475 1.147 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418112830 251327437 /nfs/dbraw/zinc/32/74/37/251327437.db2.gz ZFKIZLLGZZPQGE-FGTMMUONSA-N 2 1 330.476 1.935 20 0 EDADMP CCCN(C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1CC[NH2+]CC1 ZINC000418121348 251333275 /nfs/dbraw/zinc/33/32/75/251333275.db2.gz WQFIPORCAJKTEL-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000417858352 251300830 /nfs/dbraw/zinc/30/08/30/251300830.db2.gz PMUWTFVPPFUFBI-YLQAJVPDSA-N 2 1 343.431 1.121 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000418435235 251369666 /nfs/dbraw/zinc/36/96/66/251369666.db2.gz AMAIBAAEFKMWMY-GDBMZVCRSA-N 2 1 334.464 1.869 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000262534930 139284820 /nfs/dbraw/zinc/28/48/20/139284820.db2.gz QFOZMALGQMKHTP-DZGCQCFKSA-N 2 1 325.478 1.496 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000262534930 139284821 /nfs/dbraw/zinc/28/48/21/139284821.db2.gz QFOZMALGQMKHTP-DZGCQCFKSA-N 2 1 325.478 1.496 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NCCC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000418777745 251432162 /nfs/dbraw/zinc/43/21/62/251432162.db2.gz VLLFYRXJLRDCPL-MRXNPFEDSA-N 2 1 331.464 1.754 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262629315 139291327 /nfs/dbraw/zinc/29/13/27/139291327.db2.gz DBOATRPQFGGDJS-RTBURBONSA-N 2 1 344.503 1.568 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2)C1 ZINC000262653207 139293367 /nfs/dbraw/zinc/29/33/67/139293367.db2.gz SNNFXLOEGQXOBH-ARFHVFGLSA-N 2 1 344.459 1.450 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262701070 139297394 /nfs/dbraw/zinc/29/73/94/139297394.db2.gz IEGHNSAZGSZISW-HNAYVOBHSA-N 2 1 346.475 1.840 20 0 EDADMP Fc1ccc(OCC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000420345284 251686682 /nfs/dbraw/zinc/68/66/82/251686682.db2.gz AJVDXPVQRRQVHP-CQSZACIVSA-N 2 1 327.831 1.837 20 0 EDADMP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422889624 252011418 /nfs/dbraw/zinc/01/14/18/252011418.db2.gz PYRZVRBFXKOZHR-QFBILLFUSA-N 3 1 346.519 1.991 20 0 EDADMP C[C@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)c1c[nH+]ccc1N ZINC000423066567 252031876 /nfs/dbraw/zinc/03/18/76/252031876.db2.gz XDVXFILBPYZBQI-ZDUSSCGKSA-N 2 1 345.447 1.790 20 0 EDADMP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000423352545 252051421 /nfs/dbraw/zinc/05/14/21/252051421.db2.gz KOEAWUDKNCDWBH-YJBOKZPZSA-N 2 1 331.460 1.888 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000423482345 252055172 /nfs/dbraw/zinc/05/51/72/252055172.db2.gz QSFXCNPYIPMFIG-AAEUAGOBSA-N 2 1 347.431 1.954 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CCC[N@H+]1C ZINC000423932227 252104655 /nfs/dbraw/zinc/10/46/55/252104655.db2.gz NSGXMCPGBVAPQN-PASDCYSWSA-N 2 1 347.507 1.827 20 0 EDADMP [NH3+]C1(CNC(=O)CC[C@H]2CCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000424025572 252118313 /nfs/dbraw/zinc/11/83/13/252118313.db2.gz ZLQAZAALQSVFKO-GOSISDBHSA-N 2 1 344.503 1.628 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000458370427 285034562 /nfs/dbraw/zinc/03/45/62/285034562.db2.gz PFHNWPYANGXLNH-FUHWJXTLSA-N 2 1 338.496 1.225 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458370427 285034564 /nfs/dbraw/zinc/03/45/64/285034564.db2.gz PFHNWPYANGXLNH-FUHWJXTLSA-N 2 1 338.496 1.225 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000458370427 285034566 /nfs/dbraw/zinc/03/45/66/285034566.db2.gz PFHNWPYANGXLNH-FUHWJXTLSA-N 2 1 338.496 1.225 20 0 EDADMP O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371109285 296363298 /nfs/dbraw/zinc/36/32/98/296363298.db2.gz VBIUJCTVUZEXAN-CVEARBPZSA-N 2 1 348.491 1.848 20 0 EDADMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1OCc1cccnc1 ZINC000263308711 139334857 /nfs/dbraw/zinc/33/48/57/139334857.db2.gz YFSKFNSGDQIHAV-IRXDYDNUSA-N 2 1 343.427 1.339 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCc2nccn21 ZINC000353731623 285248485 /nfs/dbraw/zinc/24/84/85/285248485.db2.gz XYAIBDIJPBPDOQ-IAGOWNOFSA-N 2 1 347.507 1.635 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000353731623 285248487 /nfs/dbraw/zinc/24/84/87/285248487.db2.gz XYAIBDIJPBPDOQ-IAGOWNOFSA-N 3 1 347.507 1.635 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000353731623 285248489 /nfs/dbraw/zinc/24/84/89/285248489.db2.gz XYAIBDIJPBPDOQ-IAGOWNOFSA-N 3 1 347.507 1.635 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCO[C@@H](C)C1 ZINC000345594073 285248650 /nfs/dbraw/zinc/24/86/50/285248650.db2.gz LUFSJXKFCZWADS-YESZJQIVSA-N 2 1 325.497 1.676 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)/C=C\C[NH+](C)C)CC2)cn1 ZINC000491852077 255152376 /nfs/dbraw/zinc/15/23/76/255152376.db2.gz SLUJUXXNCHKZDQ-ALCCZGGFSA-N 2 1 333.480 1.445 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)/C=C\C[NH+](C)C)CC2)cn1 ZINC000491852077 255152377 /nfs/dbraw/zinc/15/23/77/255152377.db2.gz SLUJUXXNCHKZDQ-ALCCZGGFSA-N 2 1 333.480 1.445 20 0 EDADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC000496080927 255350390 /nfs/dbraw/zinc/35/03/90/255350390.db2.gz JXPZDMJKOVGVEW-PMPSAXMXSA-N 2 1 341.496 1.488 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC000496080927 255350393 /nfs/dbraw/zinc/35/03/93/255350393.db2.gz JXPZDMJKOVGVEW-PMPSAXMXSA-N 2 1 341.496 1.488 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC000496080927 255350394 /nfs/dbraw/zinc/35/03/94/255350394.db2.gz JXPZDMJKOVGVEW-PMPSAXMXSA-N 2 1 341.496 1.488 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000496236687 255368460 /nfs/dbraw/zinc/36/84/60/255368460.db2.gz XDYZBFATUBXTSN-QGZVFWFLSA-N 2 1 329.485 1.678 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000496236687 255368461 /nfs/dbraw/zinc/36/84/61/255368461.db2.gz XDYZBFATUBXTSN-QGZVFWFLSA-N 2 1 329.485 1.678 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cn(C(C)(C)C)nn1 ZINC000349039007 285282460 /nfs/dbraw/zinc/28/24/60/285282460.db2.gz WLJFGLXNKIQOAI-KRWDZBQOSA-N 2 1 336.528 1.881 20 0 EDADMP CC[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000117343731 221055233 /nfs/dbraw/zinc/05/52/33/221055233.db2.gz YJYIEVNQDHIFSU-QZTJIDSGSA-N 2 1 339.524 1.972 20 0 EDADMP CC[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000117343731 221055236 /nfs/dbraw/zinc/05/52/36/221055236.db2.gz YJYIEVNQDHIFSU-QZTJIDSGSA-N 2 1 339.524 1.972 20 0 EDADMP CC[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000117343731 221055239 /nfs/dbraw/zinc/05/52/39/221055239.db2.gz YJYIEVNQDHIFSU-QZTJIDSGSA-N 2 1 339.524 1.972 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000458289126 285313992 /nfs/dbraw/zinc/31/39/92/285313992.db2.gz LTBYFPBZEDEBOG-OAHLLOKOSA-N 2 1 339.528 1.184 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000458289126 285313996 /nfs/dbraw/zinc/31/39/96/285313996.db2.gz LTBYFPBZEDEBOG-OAHLLOKOSA-N 2 1 339.528 1.184 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000458289126 285314002 /nfs/dbraw/zinc/31/40/02/285314002.db2.gz LTBYFPBZEDEBOG-OAHLLOKOSA-N 2 1 339.528 1.184 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415977838 285322197 /nfs/dbraw/zinc/32/21/97/285322197.db2.gz YWKULIUHJOWHFE-MRXNPFEDSA-N 2 1 347.507 1.801 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000331352191 141010508 /nfs/dbraw/zinc/01/05/08/141010508.db2.gz ONKZEVRKCJCGIJ-IRXDYDNUSA-N 2 1 339.524 1.704 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[C@H]1[NH+]1CCOCC1 ZINC000332250767 141147122 /nfs/dbraw/zinc/14/71/22/141147122.db2.gz CJMITBHAPFHEKP-LUKYLMHMSA-N 2 1 338.496 1.114 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000332536168 141198303 /nfs/dbraw/zinc/19/83/03/141198303.db2.gz IYTNEMGGVFWWNK-CABCVRRESA-N 2 1 347.463 1.405 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc(N2CCCC2)[nH+]1 ZINC000333665422 141352703 /nfs/dbraw/zinc/35/27/03/141352703.db2.gz XNHVDGVNBNKFLS-IBGZPJMESA-N 2 1 343.475 1.885 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC000333719707 141365136 /nfs/dbraw/zinc/36/51/36/141365136.db2.gz UJEXARBZXBKBCO-OAHLLOKOSA-N 2 1 336.480 1.191 20 0 EDADMP CO[C@H](C[NH3+])Cc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000339359963 142027066 /nfs/dbraw/zinc/02/70/66/142027066.db2.gz MYSFIYXKZFJQJV-HNNXBMFYSA-N 2 1 332.404 1.085 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000339613488 142093854 /nfs/dbraw/zinc/09/38/54/142093854.db2.gz GCSZBYIUYQPNAC-INIZCTEOSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000339742853 142141117 /nfs/dbraw/zinc/14/11/17/142141117.db2.gz LMSKEQOZUJAVQP-OAHLLOKOSA-N 2 1 348.491 1.211 20 0 EDADMP COCC[NH+]1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000340199146 142300325 /nfs/dbraw/zinc/30/03/25/142300325.db2.gz FMMLTBAGPLSQDD-UHFFFAOYSA-N 2 1 332.510 1.290 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000345714704 143124729 /nfs/dbraw/zinc/12/47/29/143124729.db2.gz BNKBQNMDOCZNRB-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000346246690 143183214 /nfs/dbraw/zinc/18/32/14/143183214.db2.gz UINZVKLQERGLHE-NSHDSACASA-N 2 1 330.366 1.680 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC000346610785 143221921 /nfs/dbraw/zinc/22/19/21/143221921.db2.gz DMJDNXHYKZDMHY-UAGQMJEPSA-N 2 1 347.459 1.289 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)C[NH+]2CCCC2)[N@@H+](C)C1 ZINC000346661139 143228047 /nfs/dbraw/zinc/22/80/47/143228047.db2.gz ONIYUFSCACYJNW-ARFHVFGLSA-N 2 1 326.485 1.079 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(Cl)c1 ZINC000347110657 143283746 /nfs/dbraw/zinc/28/37/46/143283746.db2.gz PONLFWDMTHFKAG-CYBMUJFWSA-N 2 1 325.840 1.636 20 0 EDADMP CC[NH+](CC)CC(=O)NC[C@H]1OCC[N@H+](CC)[C@@H]1c1ccccc1 ZINC000347446345 143322146 /nfs/dbraw/zinc/32/21/46/143322146.db2.gz JYMROSUBZJCMJI-IEBWSBKVSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](CC)CC(=O)NC[C@H]1OCC[N@@H+](CC)[C@@H]1c1ccccc1 ZINC000347446345 143322147 /nfs/dbraw/zinc/32/21/47/143322147.db2.gz JYMROSUBZJCMJI-IEBWSBKVSA-N 2 1 333.476 1.906 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000369748807 155160034 /nfs/dbraw/zinc/16/00/34/155160034.db2.gz NZMBXZYPRVVWKZ-UHFFFAOYSA-N 2 1 336.524 1.348 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000264904653 149048098 /nfs/dbraw/zinc/04/80/98/149048098.db2.gz VNRYKTRCABOREV-UHFFFAOYSA-N 2 1 336.455 1.993 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000352723023 149130064 /nfs/dbraw/zinc/13/00/64/149130064.db2.gz PHHUQRDYIOBDSN-UHFFFAOYSA-N 2 1 340.537 1.695 20 0 EDADMP CC[C@@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@H](C)[S@]1=O ZINC000352874939 149199112 /nfs/dbraw/zinc/19/91/12/149199112.db2.gz IQUNKIVTXFVHDA-GSHUGGBRSA-N 2 1 329.554 1.634 20 0 EDADMP CC[C@@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@H](C)[S@]1=O ZINC000352874939 149199116 /nfs/dbraw/zinc/19/91/16/149199116.db2.gz IQUNKIVTXFVHDA-GSHUGGBRSA-N 2 1 329.554 1.634 20 0 EDADMP Cn1c2ccc(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)cc2oc1=O ZINC000353327458 149366546 /nfs/dbraw/zinc/36/65/46/149366546.db2.gz CNKFDYNLNKFMQV-UHFFFAOYSA-N 2 1 332.448 1.247 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000354882432 150009342 /nfs/dbraw/zinc/00/93/42/150009342.db2.gz LDPHIEWIBPNQDZ-MRXNPFEDSA-N 2 1 337.508 1.749 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417027667 304362007 /nfs/dbraw/zinc/36/20/07/304362007.db2.gz UFSXLLSNCLLIRW-MSOLQXFVSA-N 2 1 347.507 1.402 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000417027667 304362010 /nfs/dbraw/zinc/36/20/10/304362010.db2.gz UFSXLLSNCLLIRW-MSOLQXFVSA-N 2 1 347.507 1.402 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000417027667 304362012 /nfs/dbraw/zinc/36/20/12/304362012.db2.gz UFSXLLSNCLLIRW-MSOLQXFVSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000355413190 150257755 /nfs/dbraw/zinc/25/77/55/150257755.db2.gz PTDXDDOHZFIUII-DZVNLGKHSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000355413190 150257757 /nfs/dbraw/zinc/25/77/57/150257757.db2.gz PTDXDDOHZFIUII-DZVNLGKHSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[C@H](C)C1 ZINC000355628905 150343340 /nfs/dbraw/zinc/34/33/40/150343340.db2.gz CTABKWFVCOQSRU-PMPSAXMXSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417044675 304365871 /nfs/dbraw/zinc/36/58/71/304365871.db2.gz NIJFGWICQILFGV-ZIAGYGMSSA-N 2 1 332.439 1.937 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)c2cccc(CN3CCOCC3)c2)CC[N@H+]1C ZINC000357407936 151022768 /nfs/dbraw/zinc/02/27/68/151022768.db2.gz FXQKECVMXMPULD-CRAIPNDOSA-N 2 1 331.460 1.731 20 0 EDADMP CC[N@H+](CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C)C(C)C ZINC000357730151 151129191 /nfs/dbraw/zinc/12/91/91/151129191.db2.gz NKSVWUUQRXOHNY-CVEARBPZSA-N 2 1 326.485 1.221 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C)C(C)C ZINC000357730151 151129192 /nfs/dbraw/zinc/12/91/92/151129192.db2.gz NKSVWUUQRXOHNY-CVEARBPZSA-N 2 1 326.485 1.221 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000357972941 151216839 /nfs/dbraw/zinc/21/68/39/151216839.db2.gz KQEUFOCOCDBVCF-GDBMZVCRSA-N 2 1 330.542 1.843 20 0 EDADMP COCC1(CNC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000417323962 292243338 /nfs/dbraw/zinc/24/33/38/292243338.db2.gz IBJFIYNEWMURBL-HZPDHXFCSA-N 2 1 340.512 1.422 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358445023 151378778 /nfs/dbraw/zinc/37/87/78/151378778.db2.gz KIURJHTWKNDNJB-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000417090959 304371665 /nfs/dbraw/zinc/37/16/65/304371665.db2.gz ZPNCJXSLNZJPMA-IEBWSBKVSA-N 2 1 348.466 1.994 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000417090959 304371668 /nfs/dbraw/zinc/37/16/68/304371668.db2.gz ZPNCJXSLNZJPMA-IEBWSBKVSA-N 2 1 348.466 1.994 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000417093582 304371970 /nfs/dbraw/zinc/37/19/70/304371970.db2.gz BRYSCWHVKGXSOL-FMKPAKJESA-N 2 1 348.516 1.888 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000417093582 304371971 /nfs/dbraw/zinc/37/19/71/304371971.db2.gz BRYSCWHVKGXSOL-FMKPAKJESA-N 2 1 348.516 1.888 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000417101462 304372323 /nfs/dbraw/zinc/37/23/23/304372323.db2.gz HAFHFDXKSXJZPB-RLFYNMQTSA-N 2 1 346.475 1.538 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000417113656 304373655 /nfs/dbraw/zinc/37/36/55/304373655.db2.gz NSELSVYDIKMJPU-DYVFJYSZSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000417113656 304373657 /nfs/dbraw/zinc/37/36/57/304373657.db2.gz NSELSVYDIKMJPU-DYVFJYSZSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@@H+]1CCc2sccc2C1 ZINC000417112766 304373685 /nfs/dbraw/zinc/37/36/85/304373685.db2.gz MWWPUSAVIGDFPT-KDOFPFPSSA-N 2 1 348.516 1.890 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@H+]1CCc2sccc2C1 ZINC000417112766 304373687 /nfs/dbraw/zinc/37/36/87/304373687.db2.gz MWWPUSAVIGDFPT-KDOFPFPSSA-N 2 1 348.516 1.890 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccco1 ZINC000360369223 152009572 /nfs/dbraw/zinc/00/95/72/152009572.db2.gz KMYRUKJZIHEERW-XJKSGUPXSA-N 2 1 340.493 1.619 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000351502291 286300463 /nfs/dbraw/zinc/30/04/63/286300463.db2.gz ZRXNBFADCIYVKF-HRCADAONSA-N 2 1 347.459 1.032 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000351502291 286300464 /nfs/dbraw/zinc/30/04/64/286300464.db2.gz ZRXNBFADCIYVKF-HRCADAONSA-N 2 1 347.459 1.032 20 0 EDADMP CN(CC[NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417144352 304377300 /nfs/dbraw/zinc/37/73/00/304377300.db2.gz IAVOHXZIANUHSH-UHFFFAOYSA-N 2 1 326.391 1.529 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCSC1 ZINC000360670663 152146534 /nfs/dbraw/zinc/14/65/34/152146534.db2.gz YLMAOGXBNQYCLE-YOEHRIQHSA-N 2 1 340.537 1.740 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000360886069 152241744 /nfs/dbraw/zinc/24/17/44/152241744.db2.gz FMHSRVAGBFIUAO-DLBZAZTESA-N 2 1 342.528 1.859 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000360886069 152241746 /nfs/dbraw/zinc/24/17/46/152241746.db2.gz FMHSRVAGBFIUAO-DLBZAZTESA-N 2 1 342.528 1.859 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000360886069 152241749 /nfs/dbraw/zinc/24/17/49/152241749.db2.gz FMHSRVAGBFIUAO-DLBZAZTESA-N 2 1 342.528 1.859 20 0 EDADMP COc1cccc2c1CC[C@H]2[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000361183235 152328674 /nfs/dbraw/zinc/32/86/74/152328674.db2.gz QMWXFRUJFZQHCF-WMLDXEAASA-N 2 1 331.460 1.860 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCOC1 ZINC000361337278 152365433 /nfs/dbraw/zinc/36/54/33/152365433.db2.gz UTWSAVUJRMSYFI-LPHOPBHVSA-N 2 1 336.451 1.820 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000363949611 153105035 /nfs/dbraw/zinc/10/50/35/153105035.db2.gz APCCDWNODPGFQV-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000363949611 153105038 /nfs/dbraw/zinc/10/50/38/153105038.db2.gz APCCDWNODPGFQV-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCCCC[NH2+]3)cc2)CC1 ZINC000364481918 153249088 /nfs/dbraw/zinc/24/90/88/153249088.db2.gz GVCGBAVNDLCXME-KRWDZBQOSA-N 2 1 344.459 1.545 20 0 EDADMP O=C(NCCN1CCCOCC1)[C@H]1CCCN(c2ccccn2)C1 ZINC000364838564 153347587 /nfs/dbraw/zinc/34/75/87/153347587.db2.gz KQXGSABJCJGVEB-INIZCTEOSA-N 2 1 332.448 1.137 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000364839832 153349112 /nfs/dbraw/zinc/34/91/12/153349112.db2.gz CGJSEHFMMWTRCZ-QGZVFWFLSA-N 2 1 330.476 1.989 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000364839832 153349113 /nfs/dbraw/zinc/34/91/13/153349113.db2.gz CGJSEHFMMWTRCZ-QGZVFWFLSA-N 2 1 330.476 1.989 20 0 EDADMP O[C@H](CCc1ccccc1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364912811 153367659 /nfs/dbraw/zinc/36/76/59/153367659.db2.gz BNYLQFXUNFXUFE-LJQANCHMSA-N 2 1 348.487 1.139 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000417234160 304386683 /nfs/dbraw/zinc/38/66/83/304386683.db2.gz UMHRIRFMQRCYJF-IAGOWNOFSA-N 2 1 334.464 1.266 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000367284023 154066218 /nfs/dbraw/zinc/06/62/18/154066218.db2.gz CBXCUCVEIXKFNA-RTBURBONSA-N 2 1 339.524 1.879 20 0 EDADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000367475397 154140726 /nfs/dbraw/zinc/14/07/26/154140726.db2.gz WPFRURDCZYTFKJ-GVDBMIGSSA-N 2 1 345.491 1.474 20 0 EDADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000367475397 154140728 /nfs/dbraw/zinc/14/07/28/154140728.db2.gz WPFRURDCZYTFKJ-GVDBMIGSSA-N 2 1 345.491 1.474 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000367894461 154316485 /nfs/dbraw/zinc/31/64/85/154316485.db2.gz CZFIBEPHQPXOQX-QRQLOZEOSA-N 2 1 329.488 1.663 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000417345059 304393184 /nfs/dbraw/zinc/39/31/84/304393184.db2.gz SUGJZSXIXQKQAX-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000368431163 154556471 /nfs/dbraw/zinc/55/64/71/154556471.db2.gz CFXATPBYZZYZMS-XHSDSOJGSA-N 2 1 337.851 1.316 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000417345478 304393343 /nfs/dbraw/zinc/39/33/43/304393343.db2.gz ULHLOCRZXQJBJN-ZYSHUDEJSA-N 2 1 342.487 1.969 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000417392206 304396144 /nfs/dbraw/zinc/39/61/44/304396144.db2.gz BBCZBFVNARNKQL-HNNXBMFYSA-N 2 1 340.418 1.935 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360406598 292336145 /nfs/dbraw/zinc/33/61/45/292336145.db2.gz OCHQALVBUOPJQJ-GVDBMIGSSA-N 2 1 338.496 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360406598 292336147 /nfs/dbraw/zinc/33/61/47/292336147.db2.gz OCHQALVBUOPJQJ-GVDBMIGSSA-N 2 1 338.496 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360406598 292336148 /nfs/dbraw/zinc/33/61/48/292336148.db2.gz OCHQALVBUOPJQJ-GVDBMIGSSA-N 2 1 338.496 1.080 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000371968754 156189321 /nfs/dbraw/zinc/18/93/21/156189321.db2.gz DWECBGPWJLRVDY-IXDOHACOSA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000371968754 156189327 /nfs/dbraw/zinc/18/93/27/156189327.db2.gz DWECBGPWJLRVDY-IXDOHACOSA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000371968754 156189332 /nfs/dbraw/zinc/18/93/32/156189332.db2.gz DWECBGPWJLRVDY-IXDOHACOSA-N 2 1 338.496 1.127 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@@]1([NH+](C)C)CCCSC1)c1ccco1 ZINC000372253643 156289321 /nfs/dbraw/zinc/28/93/21/156289321.db2.gz AAYFLWANGDOJMT-XJKSGUPXSA-N 2 1 325.478 1.826 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH+]3CCCC[C@H]3CO2)C[N@@H+]1C1CC1 ZINC000372343031 156343838 /nfs/dbraw/zinc/34/38/38/156343838.db2.gz AJEXAKVTPUKSTM-YQFWSFKMSA-N 2 1 336.480 1.164 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH+]3CCCC[C@H]3CO2)C[N@H+]1C1CC1 ZINC000372343031 156343843 /nfs/dbraw/zinc/34/38/43/156343843.db2.gz AJEXAKVTPUKSTM-YQFWSFKMSA-N 2 1 336.480 1.164 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)C[NH+]1C1CC1 ZINC000372343031 156343848 /nfs/dbraw/zinc/34/38/48/156343848.db2.gz AJEXAKVTPUKSTM-YQFWSFKMSA-N 2 1 336.480 1.164 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)C[NH+]1C1CC1 ZINC000372343031 156343852 /nfs/dbraw/zinc/34/38/52/156343852.db2.gz AJEXAKVTPUKSTM-YQFWSFKMSA-N 2 1 336.480 1.164 20 0 EDADMP O=S(=O)(CC[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000373899275 157055941 /nfs/dbraw/zinc/05/59/41/157055941.db2.gz JQGFNBCXZGXROY-QGZVFWFLSA-N 2 1 343.537 1.799 20 0 EDADMP CCC[C@@H](C)NC(=O)[C@H](C)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000374287041 157225970 /nfs/dbraw/zinc/22/59/70/157225970.db2.gz IYCCTTRPQDVDJU-IKGGRYGDSA-N 2 1 325.497 1.724 20 0 EDADMP C[N@@H+](CC[C@H]1CCOC1=O)C1CCN(CCc2ccncc2)CC1 ZINC000374750132 157386711 /nfs/dbraw/zinc/38/67/11/157386711.db2.gz LWBLANPIPYUASP-KRWDZBQOSA-N 2 1 331.460 1.974 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000378123574 158084920 /nfs/dbraw/zinc/08/49/20/158084920.db2.gz ZLVZADDVLKMCIW-AEFFLSMTSA-N 2 1 347.507 1.828 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC(N2CCCS2(=O)=O)CC1 ZINC000378185145 158103407 /nfs/dbraw/zinc/10/34/07/158103407.db2.gz RKYFAQSTJOUWHU-AKNDPVLGSA-N 2 1 343.537 1.651 20 0 EDADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000378238336 158118223 /nfs/dbraw/zinc/11/82/23/158118223.db2.gz KVZPIDDMUXEBMQ-AZUAARDMSA-N 2 1 347.503 1.778 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[NH2+]C)cc1 ZINC000423209011 304889499 /nfs/dbraw/zinc/88/94/99/304889499.db2.gz ZLVCMGGLXVRKNP-AWEZNQCLSA-N 2 1 327.494 1.977 20 0 EDADMP Cc1ncc2n1CC[C@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000352149637 162014718 /nfs/dbraw/zinc/01/47/18/162014718.db2.gz UKBBHXJHLJUKFC-LZWOXQAQSA-N 2 1 334.464 1.369 20 0 EDADMP COc1ccc(-c2n[nH]cc2C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352525202 162230498 /nfs/dbraw/zinc/23/04/98/162230498.db2.gz FMMOPIOAJYRMQY-KRWDZBQOSA-N 2 1 341.459 1.565 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352541223 162240631 /nfs/dbraw/zinc/24/06/31/162240631.db2.gz VFNKUEKTSHSFBP-LJQANCHMSA-N 2 1 331.460 1.729 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352541223 162240632 /nfs/dbraw/zinc/24/06/32/162240632.db2.gz VFNKUEKTSHSFBP-LJQANCHMSA-N 2 1 331.460 1.729 20 0 EDADMP CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364231499 162321636 /nfs/dbraw/zinc/32/16/36/162321636.db2.gz MFLOAXXMQOSHPN-KRWDZBQOSA-N 2 1 330.476 1.997 20 0 EDADMP CN(Cc1ccccc1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364231499 162321640 /nfs/dbraw/zinc/32/16/40/162321640.db2.gz MFLOAXXMQOSHPN-KRWDZBQOSA-N 2 1 330.476 1.997 20 0 EDADMP CO[C@]1(C)CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000366454789 162384581 /nfs/dbraw/zinc/38/45/81/162384581.db2.gz KDNDBCUQPOYWDM-GOSISDBHSA-N 2 1 325.497 1.866 20 0 EDADMP CC(C)OC(=O)CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000075677754 287278499 /nfs/dbraw/zinc/27/84/99/287278499.db2.gz CNHGRLUBTFKMCW-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000080673987 287308523 /nfs/dbraw/zinc/30/85/23/287308523.db2.gz NJCOLACZDKHBKE-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000188556940 272958141 /nfs/dbraw/zinc/95/81/41/272958141.db2.gz IKAXAHLXVYOJDS-INIZCTEOSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)[C@H]1CC[NH3+] ZINC000652355170 452531808 /nfs/dbraw/zinc/53/18/08/452531808.db2.gz QMVSHKUWULAWOI-HOCLYGCPSA-N 2 1 325.478 1.414 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)[C@H]1CC[NH3+] ZINC000652355170 452531815 /nfs/dbraw/zinc/53/18/15/452531815.db2.gz QMVSHKUWULAWOI-HOCLYGCPSA-N 2 1 325.478 1.414 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@H](C)C[NH+](C)Cc1ccccc1 ZINC000274618551 268169320 /nfs/dbraw/zinc/16/93/20/268169320.db2.gz FDLAAFHBQZXISG-MRXNPFEDSA-N 2 1 336.480 1.120 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000274618551 268169321 /nfs/dbraw/zinc/16/93/21/268169321.db2.gz FDLAAFHBQZXISG-MRXNPFEDSA-N 2 1 336.480 1.120 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000274618551 268169323 /nfs/dbraw/zinc/16/93/23/268169323.db2.gz FDLAAFHBQZXISG-MRXNPFEDSA-N 2 1 336.480 1.120 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC2(C1)CCOCC2)c1ccccc1 ZINC000274681477 268183216 /nfs/dbraw/zinc/18/32/16/268183216.db2.gz XAEBTVOJBNGVRG-SFHVURJKSA-N 2 1 345.487 1.908 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCC(F)F ZINC000274844477 268220980 /nfs/dbraw/zinc/22/09/80/268220980.db2.gz PFNPQEJPYCUJMW-ZFWWWQNUSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCC(F)F ZINC000274844477 268220982 /nfs/dbraw/zinc/22/09/82/268220982.db2.gz PFNPQEJPYCUJMW-ZFWWWQNUSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000273108445 273028868 /nfs/dbraw/zinc/02/88/68/273028868.db2.gz QUEMWHHFBJANEF-QZTJIDSGSA-N 2 1 347.503 1.982 20 0 EDADMP C[NH+](C)C[C@@H](NC(=O)NCC[N@H+]1CCCOCC1)c1ccccc1 ZINC000275572971 268362569 /nfs/dbraw/zinc/36/25/69/268362569.db2.gz COSPGHLIDBSBPE-QGZVFWFLSA-N 2 1 334.464 1.311 20 0 EDADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000275843735 268377374 /nfs/dbraw/zinc/37/73/74/268377374.db2.gz MSPDOMFVQOHBSU-UHFFFAOYSA-N 2 1 344.459 1.107 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000275125897 273102188 /nfs/dbraw/zinc/10/21/88/273102188.db2.gz JBJWNFDMGCRAMC-INIZCTEOSA-N 2 1 331.460 1.421 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000281038922 273428615 /nfs/dbraw/zinc/42/86/15/273428615.db2.gz ZEDZBXZVVZAASN-UHFFFAOYSA-N 2 1 345.422 1.265 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc3c[nH+]cn3c2)C[C@H](C)O1 ZINC000284602928 274260264 /nfs/dbraw/zinc/26/02/64/274260264.db2.gz UHIRUPGAYRJECL-KBPBESRZSA-N 2 1 330.432 1.952 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248979581 287785783 /nfs/dbraw/zinc/78/57/83/287785783.db2.gz FIPANSFANHATKQ-KLHDSHLOSA-N 2 1 333.476 1.895 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1 ZINC000285830024 287867125 /nfs/dbraw/zinc/86/71/25/287867125.db2.gz UZJQBKZOVXGIDE-IFXJQAMLSA-N 2 1 344.459 1.905 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2n[nH]cc2C)CC1 ZINC000356311930 276096827 /nfs/dbraw/zinc/09/68/27/276096827.db2.gz WVGRAIOITMZNIK-UHFFFAOYSA-N 2 1 335.496 1.778 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2[nH]ncc2C)CC1 ZINC000356311930 276096828 /nfs/dbraw/zinc/09/68/28/276096828.db2.gz WVGRAIOITMZNIK-UHFFFAOYSA-N 2 1 335.496 1.778 20 0 EDADMP CC[N@@H+](C[C@H](C)O)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000352187864 276137840 /nfs/dbraw/zinc/13/78/40/276137840.db2.gz VHOGQTXIDUQAJA-LZLYRXPVSA-N 2 1 333.476 1.468 20 0 EDADMP CC[NH+](C[C@H](C)O)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352187864 276137841 /nfs/dbraw/zinc/13/78/41/276137841.db2.gz VHOGQTXIDUQAJA-LZLYRXPVSA-N 2 1 333.476 1.468 20 0 EDADMP CC[NH+](C[C@H](C)O)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352187864 276137842 /nfs/dbraw/zinc/13/78/42/276137842.db2.gz VHOGQTXIDUQAJA-LZLYRXPVSA-N 2 1 333.476 1.468 20 0 EDADMP CC[NH+]1CCN(CCNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000266840487 276195506 /nfs/dbraw/zinc/19/55/06/276195506.db2.gz NQJVIVJDVXFTHC-QGZVFWFLSA-N 2 1 332.492 1.261 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000420129784 276307330 /nfs/dbraw/zinc/30/73/30/276307330.db2.gz QBVSZDHOAPTQET-GOEBONIOSA-N 2 1 346.475 1.123 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000352449133 276359441 /nfs/dbraw/zinc/35/94/41/276359441.db2.gz XIZDDHOWPWSICT-AEFFLSMTSA-N 2 1 335.492 1.620 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000352449133 276359444 /nfs/dbraw/zinc/35/94/44/276359444.db2.gz XIZDDHOWPWSICT-AEFFLSMTSA-N 2 1 335.492 1.620 20 0 EDADMP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360328388 277288894 /nfs/dbraw/zinc/28/88/94/277288894.db2.gz FVXYOSWJSYGVPO-DOTOQJQBSA-N 2 1 339.505 1.426 20 0 EDADMP C[NH2+][C@@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)c1cnn(C)c1 ZINC000357169208 277291844 /nfs/dbraw/zinc/29/18/44/277291844.db2.gz CHBRBICTYIFJEW-DLBZAZTESA-N 2 1 335.496 1.553 20 0 EDADMP CO[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000374783608 277630251 /nfs/dbraw/zinc/63/02/51/277630251.db2.gz ZLVFNERCLFHXKX-SFHVURJKSA-N 2 1 334.460 1.533 20 0 EDADMP COc1cccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[NH+](C)C)c1 ZINC000359375669 278019940 /nfs/dbraw/zinc/01/99/40/278019940.db2.gz PNKSCGOIWFCPKV-CRAIPNDOSA-N 2 1 346.475 1.834 20 0 EDADMP CC(C)(C)NC(=O)CN1CCC(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422839970 278357544 /nfs/dbraw/zinc/35/75/44/278357544.db2.gz RPZSBIWTTOMIOL-IRXDYDNUSA-N 2 1 338.540 1.720 20 0 EDADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496156618 288045923 /nfs/dbraw/zinc/04/59/23/288045923.db2.gz ADNPZJPUSBSPRO-HRCADAONSA-N 2 1 340.512 1.658 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000079114917 279098074 /nfs/dbraw/zinc/09/80/74/279098074.db2.gz FVSLNFPNKBSWAI-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000376256635 279142937 /nfs/dbraw/zinc/14/29/37/279142937.db2.gz GHSDXYUGDCORLK-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000245937336 279282708 /nfs/dbraw/zinc/28/27/08/279282708.db2.gz UFDQCWACHOJDQJ-SJORKVTESA-N 2 1 332.492 1.259 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000245937336 279282711 /nfs/dbraw/zinc/28/27/11/279282711.db2.gz UFDQCWACHOJDQJ-SJORKVTESA-N 2 1 332.492 1.259 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000360136013 279373939 /nfs/dbraw/zinc/37/39/39/279373939.db2.gz MBGVFOAVBNWVLS-HNNXBMFYSA-N 2 1 328.501 1.467 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000360136013 279373941 /nfs/dbraw/zinc/37/39/41/279373941.db2.gz MBGVFOAVBNWVLS-HNNXBMFYSA-N 2 1 328.501 1.467 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000360136013 279373942 /nfs/dbraw/zinc/37/39/42/279373942.db2.gz MBGVFOAVBNWVLS-HNNXBMFYSA-N 2 1 328.501 1.467 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000360136013 279373943 /nfs/dbraw/zinc/37/39/43/279373943.db2.gz MBGVFOAVBNWVLS-HNNXBMFYSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000262284741 288151851 /nfs/dbraw/zinc/15/18/51/288151851.db2.gz LYHCRDQTHQJEME-ATLSCFEFSA-N 2 1 337.508 1.852 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000359269582 280097512 /nfs/dbraw/zinc/09/75/12/280097512.db2.gz YWTCOHWUNYYAKD-OAGGEKHMSA-N 2 1 340.512 1.212 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000359269582 280097516 /nfs/dbraw/zinc/09/75/16/280097516.db2.gz YWTCOHWUNYYAKD-OAGGEKHMSA-N 2 1 340.512 1.212 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000359269582 280097519 /nfs/dbraw/zinc/09/75/19/280097519.db2.gz YWTCOHWUNYYAKD-OAGGEKHMSA-N 2 1 340.512 1.212 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000287308519 288206207 /nfs/dbraw/zinc/20/62/07/288206207.db2.gz DWVFOGGAVNOWNJ-WMLDXEAASA-N 2 1 329.444 1.993 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000287459624 288242758 /nfs/dbraw/zinc/24/27/58/288242758.db2.gz GZQYTAJNGWIJNL-HZPDHXFCSA-N 2 1 348.491 1.345 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000288042742 288389015 /nfs/dbraw/zinc/38/90/15/288389015.db2.gz MLYLTLGOWRSQHX-KBAYOESNSA-N 2 1 330.476 1.995 20 0 EDADMP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182957690 289322405 /nfs/dbraw/zinc/32/24/05/289322405.db2.gz LSUFVLJQWNNNDF-OKZBNKHCSA-N 2 1 338.540 1.734 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000347957285 297268660 /nfs/dbraw/zinc/26/86/60/297268660.db2.gz CUYPLKHUETVRQE-ILXRZTDVSA-N 2 1 340.512 1.068 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000650900865 453101324 /nfs/dbraw/zinc/10/13/24/453101324.db2.gz SKGBUPITNFYBFF-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP C[C@H](CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[NH+](C)C ZINC000664448852 453104260 /nfs/dbraw/zinc/10/42/60/453104260.db2.gz UIVJNQKAXNVQCA-BZUAXINKSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000457758217 300120642 /nfs/dbraw/zinc/12/06/42/300120642.db2.gz QHCAFRBGJSCQMF-HNNXBMFYSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351564590 300316013 /nfs/dbraw/zinc/31/60/13/300316013.db2.gz SVPLBUKYORFVKB-GOEBONIOSA-N 2 1 337.489 1.605 20 0 EDADMP Cc1ccc([C@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)[NH+]2CCCC2)o1 ZINC000372842346 447311511 /nfs/dbraw/zinc/31/15/11/447311511.db2.gz OYOLYVGZMSZRRS-DLBZAZTESA-N 2 1 346.475 1.231 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(c3cnn(C)c3)CC2)cc1 ZINC000420309091 304747972 /nfs/dbraw/zinc/74/79/72/304747972.db2.gz DKLVSMMJFZPBDB-MRXNPFEDSA-N 2 1 329.448 1.293 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c(C)c1 ZINC000420354941 304752136 /nfs/dbraw/zinc/75/21/36/304752136.db2.gz DPSKPUFNTOJETP-OAHLLOKOSA-N 2 1 332.448 1.929 20 0 EDADMP Cn1nccc1[C@H]1[C@@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)CC(=O)N1C1CC1 ZINC000346715565 303094753 /nfs/dbraw/zinc/09/47/53/303094753.db2.gz SOMNRGJMJFPOBW-SIXWZSSISA-N 2 1 345.491 1.689 20 0 EDADMP Cn1nccc1[C@H]1[C@@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)CC(=O)N1C1CC1 ZINC000346715565 303094755 /nfs/dbraw/zinc/09/47/55/303094755.db2.gz SOMNRGJMJFPOBW-SIXWZSSISA-N 2 1 345.491 1.689 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000295235404 303192482 /nfs/dbraw/zinc/19/24/82/303192482.db2.gz SHBWPXZHAOPQHE-KRWDZBQOSA-N 2 1 332.492 1.655 20 0 EDADMP Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CC[NH3+] ZINC000295677430 303251326 /nfs/dbraw/zinc/25/13/26/303251326.db2.gz KRPFZYOCTSXSMV-INIZCTEOSA-N 2 1 327.432 1.926 20 0 EDADMP C[C@H]1CN(C(=O)NCC[NH+]2CCSCC2)CC[N@@H+](C2CC2)C1 ZINC000458394205 447343586 /nfs/dbraw/zinc/34/35/86/447343586.db2.gz VFIFKXJEBGXVIN-CQSZACIVSA-N 2 1 326.510 1.161 20 0 EDADMP C[C@H]1CN(C(=O)NCC[NH+]2CCSCC2)CC[N@H+](C2CC2)C1 ZINC000458394205 447343590 /nfs/dbraw/zinc/34/35/90/447343590.db2.gz VFIFKXJEBGXVIN-CQSZACIVSA-N 2 1 326.510 1.161 20 0 EDADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423492558 304897345 /nfs/dbraw/zinc/89/73/45/304897345.db2.gz NQCADTRIKVVVCF-QZTJIDSGSA-N 2 1 329.448 1.686 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429541883 305031671 /nfs/dbraw/zinc/03/16/71/305031671.db2.gz PPOZUTRLJGEUDS-QZTJIDSGSA-N 2 1 336.476 1.989 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1)CC2 ZINC000430623751 305059782 /nfs/dbraw/zinc/05/97/82/305059782.db2.gz HVWZASGCNPXCFD-CQSZACIVSA-N 2 1 347.459 1.259 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1)CC2 ZINC000430623751 305059783 /nfs/dbraw/zinc/05/97/83/305059783.db2.gz HVWZASGCNPXCFD-CQSZACIVSA-N 2 1 347.459 1.259 20 0 EDADMP O=C([C@@H]1CCC[N@H+](CCOc2ccccc2F)C1)N1CC[NH2+]CC1 ZINC000430627457 305059920 /nfs/dbraw/zinc/05/99/20/305059920.db2.gz NHLNOWFRNHPQOA-OAHLLOKOSA-N 2 1 335.423 1.348 20 0 EDADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)c1 ZINC000430632410 305060475 /nfs/dbraw/zinc/06/04/75/305060475.db2.gz XKCULBGHUCMGDM-HZPDHXFCSA-N 2 1 346.475 1.417 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000430632371 305060488 /nfs/dbraw/zinc/06/04/88/305060488.db2.gz XDLQOQMXIDEFNZ-ZOBUZTSGSA-N 2 1 346.475 1.039 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](C[NH3+])C3)CC2)c1 ZINC000430634246 305060679 /nfs/dbraw/zinc/06/06/79/305060679.db2.gz DDMKDHJKPPHRIM-KRWDZBQOSA-N 2 1 330.476 1.314 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](C[NH3+])C3)CC2)c1 ZINC000430634246 305060680 /nfs/dbraw/zinc/06/06/80/305060680.db2.gz DDMKDHJKPPHRIM-KRWDZBQOSA-N 2 1 330.476 1.314 20 0 EDADMP O=C(CC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccccc1 ZINC000430642425 305061031 /nfs/dbraw/zinc/06/10/31/305061031.db2.gz KKBUJPMESDMYMY-INIZCTEOSA-N 2 1 344.459 1.159 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430647724 305061302 /nfs/dbraw/zinc/06/13/02/305061302.db2.gz QLGFQXIBRVCXIF-SJORKVTESA-N 2 1 345.491 1.322 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430647724 305061303 /nfs/dbraw/zinc/06/13/03/305061303.db2.gz QLGFQXIBRVCXIF-SJORKVTESA-N 2 1 345.491 1.322 20 0 EDADMP CC(C)[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000430701333 305062669 /nfs/dbraw/zinc/06/26/69/305062669.db2.gz DLCCNDNURCZYDE-RBUKOAKNSA-N 2 1 345.487 1.564 20 0 EDADMP O=C(COC1C[NH2+]C1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000430700317 305062783 /nfs/dbraw/zinc/06/27/83/305062783.db2.gz RPZFKSVFHWOAGW-HXUWFJFHSA-N 2 1 343.471 1.490 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000430803989 305064970 /nfs/dbraw/zinc/06/49/70/305064970.db2.gz WOPQLNJJTSGPTC-MAUKXSAKSA-N 2 1 331.460 1.885 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000430803989 305064971 /nfs/dbraw/zinc/06/49/71/305064971.db2.gz WOPQLNJJTSGPTC-MAUKXSAKSA-N 2 1 331.460 1.885 20 0 EDADMP C[NH2+]C[C@H]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000430959008 305070807 /nfs/dbraw/zinc/07/08/07/305070807.db2.gz VIUCTDMRJVEVNS-GOSISDBHSA-N 2 1 344.503 1.181 20 0 EDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430963996 305071202 /nfs/dbraw/zinc/07/12/02/305071202.db2.gz CGSPNRCTJCQURF-INIZCTEOSA-N 2 1 348.466 1.406 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)C[NH+](C)[C@H]2CCSC2)CCCO1 ZINC000432551697 305093661 /nfs/dbraw/zinc/09/36/61/305093661.db2.gz HYQOQYPCOZYQMQ-GJZGRUSLSA-N 2 1 329.510 1.041 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)C[N@H+](C)[C@H]2CCSC2)CCCO1 ZINC000432551697 305093662 /nfs/dbraw/zinc/09/36/62/305093662.db2.gz HYQOQYPCOZYQMQ-GJZGRUSLSA-N 2 1 329.510 1.041 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)C[N@@H+](C)[C@H]2CCSC2)CCCO1 ZINC000432551697 305093663 /nfs/dbraw/zinc/09/36/63/305093663.db2.gz HYQOQYPCOZYQMQ-GJZGRUSLSA-N 2 1 329.510 1.041 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000433176180 305102343 /nfs/dbraw/zinc/10/23/43/305102343.db2.gz RQJMSAWCRAIYNU-AEFFLSMTSA-N 2 1 332.492 1.544 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC2CC[NH+](C)CC2)CCCO1 ZINC000433316716 305105584 /nfs/dbraw/zinc/10/55/84/305105584.db2.gz BCQMDTOFDPTSOZ-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000433384666 305107212 /nfs/dbraw/zinc/10/72/12/305107212.db2.gz DSLPOTCESUKHFD-BRWVUGGUSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[NH+]1C1CC1 ZINC000433413855 305108471 /nfs/dbraw/zinc/10/84/71/305108471.db2.gz VHAYUXADLPCSEO-BZUAXINKSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[NH+]1C1CC1 ZINC000433413855 305108472 /nfs/dbraw/zinc/10/84/72/305108472.db2.gz VHAYUXADLPCSEO-BZUAXINKSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CCC(C)CC1 ZINC000435495195 305141324 /nfs/dbraw/zinc/14/13/24/305141324.db2.gz ZWLCEXNKECKCRQ-CQSZACIVSA-N 2 1 336.484 1.406 20 0 EDADMP C[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1)[NH+]1CCSCC1 ZINC000443804331 305241629 /nfs/dbraw/zinc/24/16/29/305241629.db2.gz CDWPLXCQRCWAAL-CVEARBPZSA-N 2 1 341.521 1.137 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCCOCC1 ZINC000446591686 305267459 /nfs/dbraw/zinc/26/74/59/305267459.db2.gz IKLPDFBEUVGMEH-KRWDZBQOSA-N 2 1 340.512 1.663 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000446591686 305267460 /nfs/dbraw/zinc/26/74/60/305267460.db2.gz IKLPDFBEUVGMEH-KRWDZBQOSA-N 2 1 340.512 1.663 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000446591686 305267461 /nfs/dbraw/zinc/26/74/61/305267461.db2.gz IKLPDFBEUVGMEH-KRWDZBQOSA-N 2 1 340.512 1.663 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCCOCC1 ZINC000446647276 305268495 /nfs/dbraw/zinc/26/84/95/305268495.db2.gz ZTFYIYWEFOAWJD-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000446647276 305268496 /nfs/dbraw/zinc/26/84/96/305268496.db2.gz ZTFYIYWEFOAWJD-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000446647276 305268497 /nfs/dbraw/zinc/26/84/97/305268497.db2.gz ZTFYIYWEFOAWJD-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000446889783 305271470 /nfs/dbraw/zinc/27/14/70/305271470.db2.gz CJOBEKRPZDYJKN-ROUUACIJSA-N 2 1 329.448 1.374 20 0 EDADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000446889783 305271471 /nfs/dbraw/zinc/27/14/71/305271471.db2.gz CJOBEKRPZDYJKN-ROUUACIJSA-N 2 1 329.448 1.374 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000447435996 305280372 /nfs/dbraw/zinc/28/03/72/305280372.db2.gz SQWTUYUYOAGTRV-DAYGRLMNSA-N 2 1 349.475 1.276 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000447435996 305280373 /nfs/dbraw/zinc/28/03/73/305280373.db2.gz SQWTUYUYOAGTRV-DAYGRLMNSA-N 2 1 349.475 1.276 20 0 EDADMP COc1cc(F)cc(CNCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000449114496 305307073 /nfs/dbraw/zinc/30/70/73/305307073.db2.gz ZNYKFRMIOJWRQE-QGZVFWFLSA-N 2 1 337.439 1.867 20 0 EDADMP COc1cc(F)cc(CNCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000449114496 305307074 /nfs/dbraw/zinc/30/70/74/305307074.db2.gz ZNYKFRMIOJWRQE-QGZVFWFLSA-N 2 1 337.439 1.867 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@H]1CC ZINC000449347817 305312055 /nfs/dbraw/zinc/31/20/55/305312055.db2.gz JGDIEXMWIGQSDE-GVDBMIGSSA-N 2 1 325.497 1.853 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000449342875 305312115 /nfs/dbraw/zinc/31/21/15/305312115.db2.gz FXKFYWYAOOSOON-KBAYOESNSA-N 2 1 333.476 1.668 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@@H](C4CC4)[C@H]3C3CC3)cn2)CC1 ZINC000449531037 305313056 /nfs/dbraw/zinc/31/30/56/305313056.db2.gz AWQQKFIALOBUIH-ZWKOTPCHSA-N 2 1 327.476 1.849 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@@H](C4CC4)[C@H]3C3CC3)cn2)CC1 ZINC000449531037 305313057 /nfs/dbraw/zinc/31/30/57/305313057.db2.gz AWQQKFIALOBUIH-ZWKOTPCHSA-N 2 1 327.476 1.849 20 0 EDADMP CCO[C@H]1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)C[C@H]1C ZINC000451537891 305351997 /nfs/dbraw/zinc/35/19/97/305351997.db2.gz IVCBSYJZECSJHK-AEFFLSMTSA-N 2 1 349.475 1.671 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000451964146 305374556 /nfs/dbraw/zinc/37/45/56/305374556.db2.gz JOJLVSTZFPAJDU-QGZVFWFLSA-N 2 1 325.522 1.806 20 0 EDADMP CC[C@H](C(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@@H+](C)Cc1ccccc1 ZINC000452382493 305395784 /nfs/dbraw/zinc/39/57/84/305395784.db2.gz MLOGIXAJLDSODN-RTBURBONSA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+](C)Cc1ccccc1 ZINC000452382493 305395785 /nfs/dbraw/zinc/39/57/85/305395785.db2.gz MLOGIXAJLDSODN-RTBURBONSA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+](C)Cc1ccccc1 ZINC000452382493 305395786 /nfs/dbraw/zinc/39/57/86/305395786.db2.gz MLOGIXAJLDSODN-RTBURBONSA-N 2 1 347.503 1.860 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC(C)(C)C[NH+](C)C)C[C@@H](C)O1 ZINC000457573111 305492474 /nfs/dbraw/zinc/49/24/74/305492474.db2.gz SDCFXSCTRLXOPG-ZIAGYGMSSA-N 2 1 328.501 1.514 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414911041 447353035 /nfs/dbraw/zinc/35/30/35/447353035.db2.gz SLTHUGFBMUCASL-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000414935601 447363518 /nfs/dbraw/zinc/36/35/18/447363518.db2.gz BBZQRGNMKKPLSI-CZUORRHYSA-N 2 1 332.448 1.189 20 0 EDADMP CCC[NH+]1CCC(NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000537581556 306027765 /nfs/dbraw/zinc/02/77/65/306027765.db2.gz ZRAOSQLYMSWMKP-UHFFFAOYSA-N 2 1 344.463 1.639 20 0 EDADMP C[C@H](CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C[NH+]1CCCC1 ZINC000538684754 306032163 /nfs/dbraw/zinc/03/21/63/306032163.db2.gz LQLFNPYRLWRCJI-CYBMUJFWSA-N 2 1 344.463 1.496 20 0 EDADMP CN(CCC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc[nH+]cc1 ZINC000541856501 306048290 /nfs/dbraw/zinc/04/82/90/306048290.db2.gz MBSYPUMYKGFDMG-ZWKOTPCHSA-N 2 1 346.475 1.668 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)N3CCCCC3)C2)CC1 ZINC000541984397 306050386 /nfs/dbraw/zinc/05/03/86/306050386.db2.gz PEEQQWCPAHKHKT-SFHVURJKSA-N 2 1 336.524 1.489 20 0 EDADMP CN(CCC(=O)N1CCC([N@@H+](C)CCCO)CC1)c1cc[nH+]cc1 ZINC000542784854 306058387 /nfs/dbraw/zinc/05/83/87/306058387.db2.gz WBXVGEJMUCKBTK-UHFFFAOYSA-N 2 1 334.464 1.213 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC000544552937 306076291 /nfs/dbraw/zinc/07/62/91/306076291.db2.gz CEHGRPWOIYMAHE-INIZCTEOSA-N 2 1 345.491 1.295 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C1CC(O)C1 ZINC000546093865 306090552 /nfs/dbraw/zinc/09/05/52/306090552.db2.gz HUXOCWSVEQVBAK-SEEUUAMPSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C1CC(O)C1 ZINC000546093865 306090553 /nfs/dbraw/zinc/09/05/53/306090553.db2.gz HUXOCWSVEQVBAK-SEEUUAMPSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC(O)C1 ZINC000546093865 306090554 /nfs/dbraw/zinc/09/05/54/306090554.db2.gz HUXOCWSVEQVBAK-SEEUUAMPSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC(O)C1 ZINC000546093865 306090555 /nfs/dbraw/zinc/09/05/55/306090555.db2.gz HUXOCWSVEQVBAK-SEEUUAMPSA-N 2 1 331.460 1.221 20 0 EDADMP COc1cccc(C[C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000548910626 306141859 /nfs/dbraw/zinc/14/18/59/306141859.db2.gz JWGJTIQMCWOOOV-SFHVURJKSA-N 2 1 345.487 1.866 20 0 EDADMP COc1cccc(C[C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000548910626 306141860 /nfs/dbraw/zinc/14/18/60/306141860.db2.gz JWGJTIQMCWOOOV-SFHVURJKSA-N 2 1 345.487 1.866 20 0 EDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000551100778 306155725 /nfs/dbraw/zinc/15/57/25/306155725.db2.gz DPWAFTVIRAOSHS-KRWDZBQOSA-N 2 1 335.473 1.563 20 0 EDADMP C[NH+](C)CCCCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000551412683 306158078 /nfs/dbraw/zinc/15/80/78/306158078.db2.gz APHJDSNBJADFDD-MOPGFXCFSA-N 2 1 347.503 1.718 20 0 EDADMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000551739251 306160901 /nfs/dbraw/zinc/16/09/01/306160901.db2.gz YUMFITBMTVLBQG-RBUKOAKNSA-N 2 1 347.503 1.718 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@H+]([C@H]3CCc4ccccc4NC3=O)C2)nn1 ZINC000557339408 306227549 /nfs/dbraw/zinc/22/75/49/306227549.db2.gz RBDZXNOVPSBKKL-RDJZCZTQSA-N 2 1 340.431 1.327 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CC[NH2+]1 ZINC000414952469 447372482 /nfs/dbraw/zinc/37/24/82/447372482.db2.gz QULSBRNFAQNDMF-PBHICJAKSA-N 2 1 331.460 1.822 20 0 EDADMP CC1CCC(O)(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)CC1 ZINC000377854924 447379545 /nfs/dbraw/zinc/37/95/45/447379545.db2.gz HUGIIYYZTXCXPP-QGLXBCBXSA-N 2 1 339.524 1.264 20 0 EDADMP CC1CCC(O)(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)CC1 ZINC000377854924 447379548 /nfs/dbraw/zinc/37/95/48/447379548.db2.gz HUGIIYYZTXCXPP-QGLXBCBXSA-N 2 1 339.524 1.264 20 0 EDADMP CC1CCC(O)(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)CC1 ZINC000377854924 447379552 /nfs/dbraw/zinc/37/95/52/447379552.db2.gz HUGIIYYZTXCXPP-QGLXBCBXSA-N 2 1 339.524 1.264 20 0 EDADMP CC1CCC(O)(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)CC1 ZINC000377854924 447379555 /nfs/dbraw/zinc/37/95/55/447379555.db2.gz HUGIIYYZTXCXPP-QGLXBCBXSA-N 2 1 339.524 1.264 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661198740 453754924 /nfs/dbraw/zinc/75/49/24/453754924.db2.gz UJGZQRDVDFMFLJ-HOCLYGCPSA-N 2 1 326.485 1.268 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000080411934 441168017 /nfs/dbraw/zinc/16/80/17/441168017.db2.gz ZEMMKJQUHYKFJT-LJQANCHMSA-N 2 1 344.503 1.261 20 0 EDADMP CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000081633501 441297831 /nfs/dbraw/zinc/29/78/31/441297831.db2.gz DUEKGPLXJQCSPR-KRWDZBQOSA-N 2 1 336.524 1.251 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000073881132 441365502 /nfs/dbraw/zinc/36/55/02/441365502.db2.gz OTCLLBJFWDSTGC-SJORKVTESA-N 2 1 341.544 1.290 20 0 EDADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000083738806 441372937 /nfs/dbraw/zinc/37/29/37/441372937.db2.gz XRBWTQQBPGPEON-CQSZACIVSA-N 2 1 336.484 1.359 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000083738806 441372940 /nfs/dbraw/zinc/37/29/40/441372940.db2.gz XRBWTQQBPGPEON-CQSZACIVSA-N 2 1 336.484 1.359 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)n1C ZINC000083738955 441374051 /nfs/dbraw/zinc/37/40/51/441374051.db2.gz CCPCXWVYJHVSMX-UHFFFAOYSA-N 2 1 348.495 1.646 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000074181557 441404222 /nfs/dbraw/zinc/40/42/22/441404222.db2.gz JRBOTFWAGLJVCF-KRWDZBQOSA-N 2 1 347.507 1.783 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108561228 441464663 /nfs/dbraw/zinc/46/46/63/441464663.db2.gz XVVIKWDMFNJAAQ-OALUTQOASA-N 2 1 344.503 1.943 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000112215759 441546553 /nfs/dbraw/zinc/54/65/53/441546553.db2.gz HSKPWYLWRXCFLZ-JKSUJKDBSA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000066175665 441508903 /nfs/dbraw/zinc/50/89/03/441508903.db2.gz ZLOOQTBALJFMGM-JKSUJKDBSA-N 2 1 328.501 1.373 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000066175665 441508909 /nfs/dbraw/zinc/50/89/09/441508909.db2.gz ZLOOQTBALJFMGM-JKSUJKDBSA-N 2 1 328.501 1.373 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000066175665 441508913 /nfs/dbraw/zinc/50/89/13/441508913.db2.gz ZLOOQTBALJFMGM-JKSUJKDBSA-N 2 1 328.501 1.373 20 0 EDADMP CN(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)S(=O)(=O)c1cccs1 ZINC000090579679 441635752 /nfs/dbraw/zinc/63/57/52/441635752.db2.gz NAOHORALSMWKGY-UONOGXRCSA-N 2 1 343.518 1.585 20 0 EDADMP CN(CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)S(=O)(=O)c1cccs1 ZINC000090579679 441635754 /nfs/dbraw/zinc/63/57/54/441635754.db2.gz NAOHORALSMWKGY-UONOGXRCSA-N 2 1 343.518 1.585 20 0 EDADMP COc1cccc(C[N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000042295406 441721204 /nfs/dbraw/zinc/72/12/04/441721204.db2.gz IHZWJTIRELUWJE-UHFFFAOYSA-N 2 1 331.460 1.870 20 0 EDADMP COc1cccc(C[N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000042295406 441721209 /nfs/dbraw/zinc/72/12/09/441721209.db2.gz IHZWJTIRELUWJE-UHFFFAOYSA-N 2 1 331.460 1.870 20 0 EDADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NC(=O)NC(C)(C)C ZINC000116396809 441816556 /nfs/dbraw/zinc/81/65/56/441816556.db2.gz MBTUKABJUQRDLL-QWHCGFSZSA-N 2 1 328.501 1.955 20 0 EDADMP C[C@H](C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000137451649 441770803 /nfs/dbraw/zinc/77/08/03/441770803.db2.gz QVBVPURGCREHNW-SCTDSRPQSA-N 2 1 344.503 1.402 20 0 EDADMP C[C@H](C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000137451649 441770810 /nfs/dbraw/zinc/77/08/10/441770810.db2.gz QVBVPURGCREHNW-SCTDSRPQSA-N 2 1 344.503 1.402 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000139528682 441819829 /nfs/dbraw/zinc/81/98/29/441819829.db2.gz PCCUBLHMFBFSPI-KRWDZBQOSA-N 2 1 331.464 1.439 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)cc1 ZINC000121845408 441793949 /nfs/dbraw/zinc/79/39/49/441793949.db2.gz KZWDUGZDMCVMNF-GFCCVEGCSA-N 2 1 327.388 1.383 20 0 EDADMP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000077817480 441867529 /nfs/dbraw/zinc/86/75/29/441867529.db2.gz HPAPJBUEQZNRKN-INIZCTEOSA-N 2 1 346.475 1.535 20 0 EDADMP COC(=O)CCNC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000077754626 441848093 /nfs/dbraw/zinc/84/80/93/441848093.db2.gz UYWKVZKVOMRINZ-UHFFFAOYSA-N 2 1 339.480 1.254 20 0 EDADMP COCC[N@@H+](CCO)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093005935 441849053 /nfs/dbraw/zinc/84/90/53/441849053.db2.gz SYVXYEZQKZXRRY-UHFFFAOYSA-N 2 1 335.492 1.658 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000174587237 441941913 /nfs/dbraw/zinc/94/19/13/441941913.db2.gz QLMXQUDWBOOYSO-SFHVURJKSA-N 2 1 331.460 1.272 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000174587237 441941915 /nfs/dbraw/zinc/94/19/15/441941915.db2.gz QLMXQUDWBOOYSO-SFHVURJKSA-N 2 1 331.460 1.272 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000174587237 441941918 /nfs/dbraw/zinc/94/19/18/441941918.db2.gz QLMXQUDWBOOYSO-SFHVURJKSA-N 2 1 331.460 1.272 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000174587237 441941924 /nfs/dbraw/zinc/94/19/24/441941924.db2.gz QLMXQUDWBOOYSO-SFHVURJKSA-N 2 1 331.460 1.272 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000161607262 442017052 /nfs/dbraw/zinc/01/70/52/442017052.db2.gz ZJMLUZJQEPLSGM-UHFFFAOYSA-N 2 1 340.512 1.616 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000151207892 442025222 /nfs/dbraw/zinc/02/52/22/442025222.db2.gz LWKBHYKKTHEOPW-SQNIBIBYSA-N 2 1 325.497 1.188 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000120428476 442069977 /nfs/dbraw/zinc/06/99/77/442069977.db2.gz YTTOXZKTYHTVLJ-HNNXBMFYSA-N 2 1 343.537 1.241 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000120428476 442069981 /nfs/dbraw/zinc/06/99/81/442069981.db2.gz YTTOXZKTYHTVLJ-HNNXBMFYSA-N 2 1 343.537 1.241 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000175688452 442106210 /nfs/dbraw/zinc/10/62/10/442106210.db2.gz UEWNSESFGXNAAM-TWMKSMIVSA-N 2 1 340.512 1.658 20 0 EDADMP CC[C@@H](C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)[NH+](C)C ZINC000163472948 442168786 /nfs/dbraw/zinc/16/87/86/442168786.db2.gz NCLRJQPWSSOORQ-IBGZPJMESA-N 2 1 346.519 1.603 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000127257352 442185926 /nfs/dbraw/zinc/18/59/26/442185926.db2.gz BMYWPJZPYLALCS-QRTARXTBSA-N 2 1 331.464 1.991 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000127257352 442185930 /nfs/dbraw/zinc/18/59/30/442185930.db2.gz BMYWPJZPYLALCS-QRTARXTBSA-N 2 1 331.464 1.991 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Cc1ccc(F)cc1 ZINC000175951065 442152210 /nfs/dbraw/zinc/15/22/10/442152210.db2.gz SBCGCLIUWDOEHP-SFHVURJKSA-N 2 1 346.450 1.913 20 0 EDADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@@H]1CCC[NH2+]C1)CC2 ZINC000166528315 442216893 /nfs/dbraw/zinc/21/68/93/442216893.db2.gz BTIBMCBRURSQSF-OAHLLOKOSA-N 2 1 347.459 1.178 20 0 EDADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@@H]1CCC[NH2+]C1)CC2 ZINC000166528315 442216895 /nfs/dbraw/zinc/21/68/95/442216895.db2.gz BTIBMCBRURSQSF-OAHLLOKOSA-N 2 1 347.459 1.178 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000167231525 442219456 /nfs/dbraw/zinc/21/94/56/442219456.db2.gz HMDKPNOOWAXQRX-GOSISDBHSA-N 2 1 349.475 1.402 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000153104818 442262124 /nfs/dbraw/zinc/26/21/24/442262124.db2.gz LCTNXZPDKIFGCQ-JKIFEVAISA-N 2 1 340.489 1.787 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000153125680 442262417 /nfs/dbraw/zinc/26/24/17/442262417.db2.gz BFWBGRNBCRUKHN-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170758190 442258790 /nfs/dbraw/zinc/25/87/90/442258790.db2.gz SLHAJZIMZWEJDI-HRCADAONSA-N 2 1 342.528 1.904 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170758190 442258791 /nfs/dbraw/zinc/25/87/91/442258791.db2.gz SLHAJZIMZWEJDI-HRCADAONSA-N 2 1 342.528 1.904 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170758190 442258793 /nfs/dbraw/zinc/25/87/93/442258793.db2.gz SLHAJZIMZWEJDI-HRCADAONSA-N 2 1 342.528 1.904 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170758190 442258795 /nfs/dbraw/zinc/25/87/95/442258795.db2.gz SLHAJZIMZWEJDI-HRCADAONSA-N 2 1 342.528 1.904 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCOC(C)(C)C1 ZINC000171174126 442323006 /nfs/dbraw/zinc/32/30/06/442323006.db2.gz YOTKTFKMKCQHLF-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000171202680 442327730 /nfs/dbraw/zinc/32/77/30/442327730.db2.gz AUSXSEPMEQIODY-QGZVFWFLSA-N 2 1 336.480 1.475 20 0 EDADMP COC(=O)[C@]1(C)CC[NH+](CCCC[N@@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000177415416 442338708 /nfs/dbraw/zinc/33/87/08/442338708.db2.gz ITCBZIUBNZSJRF-QZTJIDSGSA-N 2 1 340.464 1.537 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCN3CCCC3=O)CC2)C[C@H](C)O1 ZINC000177485467 442347839 /nfs/dbraw/zinc/34/78/39/442347839.db2.gz XOTVPEBWWBQWMM-CALCHBBNSA-N 2 1 337.508 1.820 20 0 EDADMP C[N@@H+](CC(=O)N1CCN(Cc2cccnc2)CC1)[C@@H]1CCSC1 ZINC000154035222 442317927 /nfs/dbraw/zinc/31/79/27/442317927.db2.gz ZNBPFKHHUIOILO-MRXNPFEDSA-N 2 1 334.489 1.163 20 0 EDADMP CN(CC(=O)N1CCN(Cc2cccnc2)CC1)[C@@H]1CCSC1 ZINC000154035222 442317928 /nfs/dbraw/zinc/31/79/28/442317928.db2.gz ZNBPFKHHUIOILO-MRXNPFEDSA-N 2 1 334.489 1.163 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000177853232 442391397 /nfs/dbraw/zinc/39/13/97/442391397.db2.gz MKTFISNAGQDGGQ-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000178874586 442510405 /nfs/dbraw/zinc/51/04/05/442510405.db2.gz FFGVONJAYNCHDP-FUHWJXTLSA-N 2 1 332.492 1.337 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000178874586 442510411 /nfs/dbraw/zinc/51/04/11/442510411.db2.gz FFGVONJAYNCHDP-FUHWJXTLSA-N 2 1 332.492 1.337 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000178890229 442515689 /nfs/dbraw/zinc/51/56/89/442515689.db2.gz VZIPPWYMYLFQDN-QGZVFWFLSA-N 2 1 330.476 1.409 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000178889971 442515932 /nfs/dbraw/zinc/51/59/32/442515932.db2.gz ZNSNMZSJXIDSFE-IRXDYDNUSA-N 2 1 330.476 1.394 20 0 EDADMP CCCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C1 ZINC000178891171 442517090 /nfs/dbraw/zinc/51/70/90/442517090.db2.gz WTAZLTCCQFNZDG-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP CCCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C1 ZINC000178891171 442517093 /nfs/dbraw/zinc/51/70/93/442517093.db2.gz WTAZLTCCQFNZDG-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)CC2)[nH+]c1 ZINC000192491313 442653402 /nfs/dbraw/zinc/65/34/02/442653402.db2.gz GZDSIYBYZBQAQY-CALCHBBNSA-N 2 1 328.460 1.626 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)CC2)[nH+]c1 ZINC000192491313 442653406 /nfs/dbraw/zinc/65/34/06/442653406.db2.gz GZDSIYBYZBQAQY-CALCHBBNSA-N 2 1 328.460 1.626 20 0 EDADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000180760004 442656276 /nfs/dbraw/zinc/65/62/76/442656276.db2.gz JBBLNIUKYZIARX-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000180760004 442656281 /nfs/dbraw/zinc/65/62/81/442656281.db2.gz JBBLNIUKYZIARX-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000187401810 442674462 /nfs/dbraw/zinc/67/44/62/442674462.db2.gz UBFWAZORRLJRLL-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000187401827 442674489 /nfs/dbraw/zinc/67/44/89/442674489.db2.gz UBFWAZORRLJRLL-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000192945209 442700661 /nfs/dbraw/zinc/70/06/61/442700661.db2.gz JWBVOEUVPCKJPL-UHFFFAOYSA-N 2 1 339.528 1.188 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)CC1 ZINC000187250070 442663436 /nfs/dbraw/zinc/66/34/36/442663436.db2.gz GMHVPVAUNIMZDY-KRWDZBQOSA-N 2 1 337.508 1.820 20 0 EDADMP CNS(=O)(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193330665 442733989 /nfs/dbraw/zinc/73/39/89/442733989.db2.gz QZIKYEAVUBECPK-ALOPSCKCSA-N 2 1 337.489 1.321 20 0 EDADMP CNS(=O)(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193330665 442733991 /nfs/dbraw/zinc/73/39/91/442733991.db2.gz QZIKYEAVUBECPK-ALOPSCKCSA-N 2 1 337.489 1.321 20 0 EDADMP C[C@@H](CN1CCOCC1)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000193587816 442756845 /nfs/dbraw/zinc/75/68/45/442756845.db2.gz FJHVUYZKEOPKDN-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP C[NH+](C[C@@H]1CCCOC1)CC1(C[N@@H+](C)C[C@H]2CCCOC2)COC1 ZINC000182157898 442740930 /nfs/dbraw/zinc/74/09/30/442740930.db2.gz XCILETWLKUDQDI-HDICACEKSA-N 2 1 340.508 1.720 20 0 EDADMP C[NH+](C[C@H]1CCCOC1)CC1(C[N@H+](C)C[C@@H]2CCCOC2)COC1 ZINC000182157898 442740931 /nfs/dbraw/zinc/74/09/31/442740931.db2.gz XCILETWLKUDQDI-HDICACEKSA-N 2 1 340.508 1.720 20 0 EDADMP C[NH+](C[C@H]1CCCOC1)CC1(C[N@@H+](C)C[C@@H]2CCCOC2)COC1 ZINC000182157898 442740932 /nfs/dbraw/zinc/74/09/32/442740932.db2.gz XCILETWLKUDQDI-HDICACEKSA-N 2 1 340.508 1.720 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)c3c[nH+]ccc3N)CC2)C[C@H](C)O1 ZINC000188135186 442714702 /nfs/dbraw/zinc/71/47/02/442714702.db2.gz SSVKWGZKLWONLI-OKILXGFUSA-N 2 1 332.448 1.625 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182892944 442842475 /nfs/dbraw/zinc/84/24/75/442842475.db2.gz IVPXGCAUXGXNRP-BZSNNMDCSA-N 2 1 338.540 1.782 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182892944 442842480 /nfs/dbraw/zinc/84/24/80/442842480.db2.gz IVPXGCAUXGXNRP-BZSNNMDCSA-N 2 1 338.540 1.782 20 0 EDADMP O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000247396124 442852235 /nfs/dbraw/zinc/85/22/35/442852235.db2.gz QUCJVWCOMCZQNO-OKZBNKHCSA-N 2 1 326.481 1.493 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000247926420 442873691 /nfs/dbraw/zinc/87/36/91/442873691.db2.gz ZVKBNPGXRJBAHU-BRWVUGGUSA-N 2 1 339.528 1.042 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000183084722 442875987 /nfs/dbraw/zinc/87/59/87/442875987.db2.gz BCORLUTYPXCFFC-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000183084722 442875990 /nfs/dbraw/zinc/87/59/90/442875990.db2.gz BCORLUTYPXCFFC-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000183084722 442875992 /nfs/dbraw/zinc/87/59/92/442875992.db2.gz BCORLUTYPXCFFC-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000265725616 442895495 /nfs/dbraw/zinc/89/54/95/442895495.db2.gz ILCJWRPKSGIGFH-MSOLQXFVSA-N 2 1 346.475 1.405 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000265725616 442895500 /nfs/dbraw/zinc/89/55/00/442895500.db2.gz ILCJWRPKSGIGFH-MSOLQXFVSA-N 2 1 346.475 1.405 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000265725616 442895502 /nfs/dbraw/zinc/89/55/02/442895502.db2.gz ILCJWRPKSGIGFH-MSOLQXFVSA-N 2 1 346.475 1.405 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000265725616 442895510 /nfs/dbraw/zinc/89/55/10/442895510.db2.gz ILCJWRPKSGIGFH-MSOLQXFVSA-N 2 1 346.475 1.405 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000268115710 442853634 /nfs/dbraw/zinc/85/36/34/442853634.db2.gz DNXYSSSNRJUULX-PBHICJAKSA-N 2 1 334.464 1.836 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000623086891 450397031 /nfs/dbraw/zinc/39/70/31/450397031.db2.gz QCFCGFIDEZVMDI-UHFFFAOYSA-N 2 1 346.431 1.276 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000189290959 442913080 /nfs/dbraw/zinc/91/30/80/442913080.db2.gz BYRNBYNBOCQMBZ-BPQIPLTHSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000195039265 442978379 /nfs/dbraw/zinc/97/83/79/442978379.db2.gz LKGGYUBYFKTQAV-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP COc1cc(N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)ncn1 ZINC000184069918 442987550 /nfs/dbraw/zinc/98/75/50/442987550.db2.gz ARJMCAGJLAPVDK-UHFFFAOYSA-N 2 1 330.436 1.593 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000268520345 443018632 /nfs/dbraw/zinc/01/86/32/443018632.db2.gz ZYJGBVUQWZREMT-QGZVFWFLSA-N 2 1 333.476 1.641 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)C1(C[NH3+])CCCC1)[NH+]1CCOCC1 ZINC000236661692 443143063 /nfs/dbraw/zinc/14/30/63/443143063.db2.gz OFVPZFTZLXQCPU-MRXNPFEDSA-N 2 1 325.497 1.759 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000268825409 443119268 /nfs/dbraw/zinc/11/92/68/443119268.db2.gz ITCMOOQMXFDPJK-MISYRCLQSA-N 2 1 331.504 1.943 20 0 EDADMP CC(C)n1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261758689 443168532 /nfs/dbraw/zinc/16/85/32/443168532.db2.gz VNYRNJUGSYDJHN-NVXWUHKLSA-N 2 1 333.480 1.544 20 0 EDADMP CC(C)n1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261758689 443168536 /nfs/dbraw/zinc/16/85/36/443168536.db2.gz VNYRNJUGSYDJHN-NVXWUHKLSA-N 2 1 333.480 1.544 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC[N@@H+]1C ZINC000185293175 443178156 /nfs/dbraw/zinc/17/81/56/443178156.db2.gz DYDIWKZUQKOWFU-GDBMZVCRSA-N 2 1 337.489 1.799 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC[N@H+]1C ZINC000185293175 443178160 /nfs/dbraw/zinc/17/81/60/443178160.db2.gz DYDIWKZUQKOWFU-GDBMZVCRSA-N 2 1 337.489 1.799 20 0 EDADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC[N@@H+]1C ZINC000185293194 443178263 /nfs/dbraw/zinc/17/82/63/443178263.db2.gz DYDIWKZUQKOWFU-GOEBONIOSA-N 2 1 337.489 1.799 20 0 EDADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC[N@H+]1C ZINC000185293194 443178265 /nfs/dbraw/zinc/17/82/65/443178265.db2.gz DYDIWKZUQKOWFU-GOEBONIOSA-N 2 1 337.489 1.799 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000357651945 319112245 /nfs/dbraw/zinc/11/22/45/319112245.db2.gz OPNAWHLZVRKJHP-IRXDYDNUSA-N 2 1 342.528 1.763 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000357651945 319112246 /nfs/dbraw/zinc/11/22/46/319112246.db2.gz OPNAWHLZVRKJHP-IRXDYDNUSA-N 2 1 342.528 1.763 20 0 EDADMP C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414680649 319341062 /nfs/dbraw/zinc/34/10/62/319341062.db2.gz NJDSLUCJIIBGNW-MRXNPFEDSA-N 2 1 341.459 1.501 20 0 EDADMP C[C@@]1(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000269296910 443271776 /nfs/dbraw/zinc/27/17/76/443271776.db2.gz OLTAGCIMZGRHOM-HXUWFJFHSA-N 2 1 344.503 1.310 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+](C)CC(=O)Nc2ccccc2)CC1 ZINC000191403165 443291141 /nfs/dbraw/zinc/29/11/41/443291141.db2.gz BGVVFCUBEBKNBW-UHFFFAOYSA-N 2 1 332.492 1.973 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CC(=O)Nc2ccccc2)CC1 ZINC000191403165 443291142 /nfs/dbraw/zinc/29/11/42/443291142.db2.gz BGVVFCUBEBKNBW-UHFFFAOYSA-N 2 1 332.492 1.973 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[C@H]1[NH3+] ZINC000269287255 443267524 /nfs/dbraw/zinc/26/75/24/443267524.db2.gz SQIKJSQYJFJQKD-KBAYOESNSA-N 2 1 330.476 1.171 20 0 EDADMP COCCOc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282374340 443320098 /nfs/dbraw/zinc/32/00/98/443320098.db2.gz OBVUNESMMRLABO-UHFFFAOYSA-N 2 1 335.492 1.827 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21)Cc1ccccc1 ZINC000272455577 443324809 /nfs/dbraw/zinc/32/48/09/443324809.db2.gz NGPJUQNYLRWKJA-QZTJIDSGSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)Cc1ccccc1 ZINC000272455577 443324812 /nfs/dbraw/zinc/32/48/12/443324812.db2.gz NGPJUQNYLRWKJA-QZTJIDSGSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)Cc1ccccc1 ZINC000272455577 443324813 /nfs/dbraw/zinc/32/48/13/443324813.db2.gz NGPJUQNYLRWKJA-QZTJIDSGSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000278427274 443328086 /nfs/dbraw/zinc/32/80/86/443328086.db2.gz JJRZIPGRRUFCAE-QGZVFWFLSA-N 2 1 343.475 1.076 20 0 EDADMP CO[C@@H](CC(C)C)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000419215594 319571565 /nfs/dbraw/zinc/57/15/65/319571565.db2.gz AFAZMDREOJCMHM-SFHVURJKSA-N 2 1 339.524 1.924 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000264771534 443417034 /nfs/dbraw/zinc/41/70/34/443417034.db2.gz AMKUQFXVQPRMBL-QGZVFWFLSA-N 2 1 348.516 1.609 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000264771534 443417039 /nfs/dbraw/zinc/41/70/39/443417039.db2.gz AMKUQFXVQPRMBL-QGZVFWFLSA-N 2 1 348.516 1.609 20 0 EDADMP CCOCc1ccc(CNC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420368054 319611225 /nfs/dbraw/zinc/61/12/25/319611225.db2.gz TXJWYWWYWXHQQY-KRWDZBQOSA-N 2 1 333.476 1.817 20 0 EDADMP Fc1ccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000420368728 319611320 /nfs/dbraw/zinc/61/13/20/319611320.db2.gz IGMMJMRUNJQMJY-UHFFFAOYSA-N 2 1 326.847 1.506 20 0 EDADMP Cc1nccn1-c1ccc(CNC(=O)NCC[N@H+](C)C2CC2)cn1 ZINC000264818657 443439157 /nfs/dbraw/zinc/43/91/57/443439157.db2.gz HGJAPDGZSAZJDQ-UHFFFAOYSA-N 2 1 328.420 1.469 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC[N@H+](C)C2CC2)cn1 ZINC000264818657 443439166 /nfs/dbraw/zinc/43/91/66/443439166.db2.gz HGJAPDGZSAZJDQ-UHFFFAOYSA-N 2 1 328.420 1.469 20 0 EDADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(S(N)(=O)=O)c1 ZINC000272894916 443482442 /nfs/dbraw/zinc/48/24/42/443482442.db2.gz YMLMESRMTMCJOS-MRXNPFEDSA-N 2 1 336.461 1.970 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000272266770 443573499 /nfs/dbraw/zinc/57/34/99/443573499.db2.gz NEURAADVPMYZAE-SZMVWBNQSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000272266770 443573505 /nfs/dbraw/zinc/57/35/05/443573505.db2.gz NEURAADVPMYZAE-SZMVWBNQSA-N 2 1 331.460 1.473 20 0 EDADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000620011957 450402763 /nfs/dbraw/zinc/40/27/63/450402763.db2.gz UFLUTRJVDDSLCB-QGZVFWFLSA-N 2 1 341.415 1.250 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000272299253 443585040 /nfs/dbraw/zinc/58/50/40/443585040.db2.gz QINYTIOFIHIZBG-JQHSSLGASA-N 2 1 330.476 1.171 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272376609 443607081 /nfs/dbraw/zinc/60/70/81/443607081.db2.gz BJGXVFPGQYAJLM-PKOBYXMFSA-N 2 1 345.487 1.736 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000433139177 319971379 /nfs/dbraw/zinc/97/13/79/319971379.db2.gz WBDJSNGCVNYRCQ-ZDUSSCGKSA-N 2 1 339.402 1.331 20 0 EDADMP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3ncccc3F)CC2)CC1 ZINC000283470872 443641902 /nfs/dbraw/zinc/64/19/02/443641902.db2.gz ZORRNDBMMKTMSM-UHFFFAOYSA-N 2 1 349.498 1.759 20 0 EDADMP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438571748 320036156 /nfs/dbraw/zinc/03/61/56/320036156.db2.gz ANIQRJBXOXHJQZ-SFHVURJKSA-N 2 1 336.524 1.537 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438571748 320036158 /nfs/dbraw/zinc/03/61/58/320036158.db2.gz ANIQRJBXOXHJQZ-SFHVURJKSA-N 2 1 336.524 1.537 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438571748 320036160 /nfs/dbraw/zinc/03/61/60/320036160.db2.gz ANIQRJBXOXHJQZ-SFHVURJKSA-N 2 1 336.524 1.537 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000439354597 320046368 /nfs/dbraw/zinc/04/63/68/320046368.db2.gz HUCVNVJZWSXYOL-CQSZACIVSA-N 2 1 332.448 1.239 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000447931852 320147954 /nfs/dbraw/zinc/14/79/54/320147954.db2.gz QJUVKYIXYRIFDK-INIZCTEOSA-N 2 1 341.459 1.549 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000447931852 320147956 /nfs/dbraw/zinc/14/79/56/320147956.db2.gz QJUVKYIXYRIFDK-INIZCTEOSA-N 2 1 341.459 1.549 20 0 EDADMP Cc1cnc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)s1 ZINC000449212834 320178533 /nfs/dbraw/zinc/17/85/33/320178533.db2.gz JFVNCBQHXBSMAE-INIZCTEOSA-N 2 1 346.500 1.830 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000276225695 443670823 /nfs/dbraw/zinc/67/08/23/443670823.db2.gz DSMKXRKDVJUOBX-MSOLQXFVSA-N 2 1 345.491 1.639 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000276225695 443670825 /nfs/dbraw/zinc/67/08/25/443670825.db2.gz DSMKXRKDVJUOBX-MSOLQXFVSA-N 2 1 345.491 1.639 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000276225695 443670827 /nfs/dbraw/zinc/67/08/27/443670827.db2.gz DSMKXRKDVJUOBX-MSOLQXFVSA-N 2 1 345.491 1.639 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000457142687 320320648 /nfs/dbraw/zinc/32/06/48/320320648.db2.gz ZICTYKKCBIWABY-HKUYNNGSSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000457142687 320320649 /nfs/dbraw/zinc/32/06/49/320320649.db2.gz ZICTYKKCBIWABY-HKUYNNGSSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000457142687 320320650 /nfs/dbraw/zinc/32/06/50/320320650.db2.gz ZICTYKKCBIWABY-HKUYNNGSSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000457142687 320320651 /nfs/dbraw/zinc/32/06/51/320320651.db2.gz ZICTYKKCBIWABY-HKUYNNGSSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1CN(C(=O)NCC[NH+]2CCCOCC2)CC[N@H+](C2CCC2)C1 ZINC000458835928 320342843 /nfs/dbraw/zinc/34/28/43/320342843.db2.gz FENFQQOSKSIKQQ-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)CC[NH+](C2CCC2)C1 ZINC000458835928 320342844 /nfs/dbraw/zinc/34/28/44/320342844.db2.gz FENFQQOSKSIKQQ-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)CC[NH+](C2CCC2)C1 ZINC000458835928 320342845 /nfs/dbraw/zinc/34/28/45/320342845.db2.gz FENFQQOSKSIKQQ-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CC(C)(F)C1 ZINC000458899040 320344172 /nfs/dbraw/zinc/34/41/72/320344172.db2.gz GAEJRMODTIXSGK-ISXOHVOVSA-N 2 1 328.476 1.935 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471647499 320353147 /nfs/dbraw/zinc/35/31/47/320353147.db2.gz HGOSDCUEXNIGGG-IYBDPMFKSA-N 2 1 342.528 1.620 20 0 EDADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C[C@@H](C)C1 ZINC000489563647 320361538 /nfs/dbraw/zinc/36/15/38/320361538.db2.gz QXZOFIUQGQDNCQ-FDPKGLCPSA-N 2 1 334.508 1.983 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000489563647 320361539 /nfs/dbraw/zinc/36/15/39/320361539.db2.gz QXZOFIUQGQDNCQ-FDPKGLCPSA-N 2 1 334.508 1.983 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000489563647 320361540 /nfs/dbraw/zinc/36/15/40/320361540.db2.gz QXZOFIUQGQDNCQ-FDPKGLCPSA-N 2 1 334.508 1.983 20 0 EDADMP Cn1ccc(/C=C\C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000492942944 320391375 /nfs/dbraw/zinc/39/13/75/320391375.db2.gz AZXYLKFOXKSKKC-ARJAWSKDSA-N 2 1 325.416 1.824 20 0 EDADMP CC[C@H](Cn1cncn1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000517265187 320447920 /nfs/dbraw/zinc/44/79/20/320447920.db2.gz QYFRYOXXTIIJTR-CVEARBPZSA-N 2 1 348.520 1.697 20 0 EDADMP CC[C@@H](Cn1cncn1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000517265190 320447922 /nfs/dbraw/zinc/44/79/22/320447922.db2.gz QYFRYOXXTIIJTR-JKSUJKDBSA-N 2 1 348.520 1.697 20 0 EDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000298268906 443734026 /nfs/dbraw/zinc/73/40/26/443734026.db2.gz GDYRWTLCXDFBQM-IAGOWNOFSA-N 2 1 346.475 1.620 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000276567836 443749642 /nfs/dbraw/zinc/74/96/42/443749642.db2.gz AWAAKYQQDYOHLP-BMGDILEWSA-N 2 1 331.460 1.258 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000625522348 450407571 /nfs/dbraw/zinc/40/75/71/450407571.db2.gz NXKBLAJEZYQIET-ZBFHGGJFSA-N 2 1 337.508 1.865 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000625522348 450407576 /nfs/dbraw/zinc/40/75/76/450407576.db2.gz NXKBLAJEZYQIET-ZBFHGGJFSA-N 2 1 337.508 1.865 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(Nc3nccn(C(F)F)c3=O)CC2)CC1 ZINC000288109293 443773678 /nfs/dbraw/zinc/77/36/78/443773678.db2.gz KNPJSIFKSPNSRM-UHFFFAOYSA-N 2 1 341.406 1.609 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccsc1 ZINC000285180598 443886053 /nfs/dbraw/zinc/88/60/53/443886053.db2.gz MYRBKAMBLNLKRK-AWEZNQCLSA-N 2 1 345.534 1.785 20 0 EDADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(c2ccccn2)CC1 ZINC000298734764 443852923 /nfs/dbraw/zinc/85/29/23/443852923.db2.gz MJVIWNPVXQLGDO-HOTGVXAUSA-N 2 1 329.448 1.540 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000293201180 443950022 /nfs/dbraw/zinc/95/00/22/443950022.db2.gz LPVAAGPPWAPXNI-LJQANCHMSA-N 2 1 344.459 1.241 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000277072718 443902735 /nfs/dbraw/zinc/90/27/35/443902735.db2.gz IMWQUBPNFWTICH-QGZVFWFLSA-N 2 1 344.459 1.513 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000277072718 443902740 /nfs/dbraw/zinc/90/27/40/443902740.db2.gz IMWQUBPNFWTICH-QGZVFWFLSA-N 2 1 344.459 1.513 20 0 EDADMP CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000277531933 444002879 /nfs/dbraw/zinc/00/28/79/444002879.db2.gz SPXQDPIGRPTAJR-GOSISDBHSA-N 2 1 348.491 1.481 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000277298826 443955367 /nfs/dbraw/zinc/95/53/67/443955367.db2.gz JPPPTZQQAIALLQ-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CCN(C)C(=O)CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285365186 443957757 /nfs/dbraw/zinc/95/77/57/443957757.db2.gz FOPDXELZXOTNNM-UHFFFAOYSA-N 2 1 346.519 1.604 20 0 EDADMP CC[NH+](CC)[C@@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)CC(C)C ZINC000553259805 320938912 /nfs/dbraw/zinc/93/89/12/320938912.db2.gz IXSIFDXNBPBGCK-SWKXRBFHSA-N 2 1 338.496 1.853 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000561186326 321035562 /nfs/dbraw/zinc/03/55/62/321035562.db2.gz QTDNXRKIHQLYKP-RDJZCZTQSA-N 2 1 330.476 1.948 20 0 EDADMP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCc1ccc2c(c1)OCO2 ZINC000561278750 321038405 /nfs/dbraw/zinc/03/84/05/321038405.db2.gz SHZSLVGALNYHOC-HOTGVXAUSA-N 2 1 345.443 1.496 20 0 EDADMP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCc1ccc2c(c1)OCO2 ZINC000561278750 321038406 /nfs/dbraw/zinc/03/84/06/321038406.db2.gz SHZSLVGALNYHOC-HOTGVXAUSA-N 2 1 345.443 1.496 20 0 EDADMP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000561440886 321041584 /nfs/dbraw/zinc/04/15/84/321041584.db2.gz AQDCMPSUQIYGCT-QZTJIDSGSA-N 2 1 345.487 1.790 20 0 EDADMP COc1ccncc1CNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000562671787 321068418 /nfs/dbraw/zinc/06/84/18/321068418.db2.gz NIDGAJLAVNLZIL-IIAWOOMASA-N 2 1 332.448 1.962 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000563094385 321095140 /nfs/dbraw/zinc/09/51/40/321095140.db2.gz IXKLENAENDQEFJ-LJQANCHMSA-N 2 1 344.503 1.263 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000565167238 321171930 /nfs/dbraw/zinc/17/19/30/321171930.db2.gz XSTJUCQDLYAABB-KBRIMQKVSA-N 2 1 327.419 1.612 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000565167238 321171931 /nfs/dbraw/zinc/17/19/31/321171931.db2.gz XSTJUCQDLYAABB-KBRIMQKVSA-N 2 1 327.419 1.612 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@](C)(CC)CO)CC2)CC1 ZINC000568228163 321283246 /nfs/dbraw/zinc/28/32/46/321283246.db2.gz QLACJCKNTRDIBR-GOSISDBHSA-N 2 1 325.497 1.414 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)[C@](C)(CC)CO)CC2)CC1 ZINC000568228163 321283247 /nfs/dbraw/zinc/28/32/47/321283247.db2.gz QLACJCKNTRDIBR-GOSISDBHSA-N 2 1 325.497 1.414 20 0 EDADMP CC1(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]CC1 ZINC000568489890 321293308 /nfs/dbraw/zinc/29/33/08/321293308.db2.gz YZAHJSCKJDPRFU-GOSISDBHSA-N 2 1 344.503 1.992 20 0 EDADMP C[N@@H+](CCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)C1CCCC1 ZINC000568846122 321308007 /nfs/dbraw/zinc/30/80/07/321308007.db2.gz SDDOZPJODRVZLZ-AWEZNQCLSA-N 2 1 331.464 1.894 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000289309596 444103424 /nfs/dbraw/zinc/10/34/24/444103424.db2.gz DWRJXXMBVGHGGV-SJLPKXTDSA-N 2 1 340.471 1.962 20 0 EDADMP CN(CC[N@@H+](C)CCC(=O)N(C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000299726784 444126009 /nfs/dbraw/zinc/12/60/09/444126009.db2.gz VAQSFDMRORAVJX-UHFFFAOYSA-N 2 1 346.519 1.997 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000290239219 444257952 /nfs/dbraw/zinc/25/79/52/444257952.db2.gz VHRGWAHJSPQIAH-HOTGVXAUSA-N 2 1 331.464 1.567 20 0 EDADMP [NH3+][C@H](CC(F)F)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309766060 444289548 /nfs/dbraw/zinc/28/95/48/444289548.db2.gz ZLYLOYRPRXKBCK-HUUCEWRRSA-N 2 1 325.403 1.997 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)[C@H](C)C1 ZINC000338009834 444485845 /nfs/dbraw/zinc/48/58/45/444485845.db2.gz WUPAVLKIINYBRW-XMTFNYHQSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+]C[C@@H](O)C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000580065002 322004017 /nfs/dbraw/zinc/00/40/17/322004017.db2.gz FZWFNNBZSAJBEQ-JKSUJKDBSA-N 2 1 345.409 1.878 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CC[NH2+]C3CC3)c2)CCO1 ZINC000580215980 322025244 /nfs/dbraw/zinc/02/52/44/322025244.db2.gz JOYWPTTUDFXXFK-OAHLLOKOSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CC[NH2+]C3CC3)c2)CCO1 ZINC000580215980 322025248 /nfs/dbraw/zinc/02/52/48/322025248.db2.gz JOYWPTTUDFXXFK-OAHLLOKOSA-N 2 1 331.460 1.666 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000580311546 322035258 /nfs/dbraw/zinc/03/52/58/322035258.db2.gz LSKOJDIZCKGLMS-KGLIPLIRSA-N 2 1 348.447 1.002 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](C)C1 ZINC000580554663 322066487 /nfs/dbraw/zinc/06/64/87/322066487.db2.gz XFPBQRGXUFDOCL-ULQDDVLXSA-N 2 1 327.513 1.826 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000580785431 322095829 /nfs/dbraw/zinc/09/58/29/322095829.db2.gz DDOMMDOLQLXNGW-DLBZAZTESA-N 2 1 331.464 1.439 20 0 EDADMP CC(C)[NH2+]CC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000581262221 322157598 /nfs/dbraw/zinc/15/75/98/322157598.db2.gz SEDYRIVTYRIJSI-UHFFFAOYSA-N 2 1 344.459 1.910 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000581992275 322241780 /nfs/dbraw/zinc/24/17/80/322241780.db2.gz PUIDCONPIHMJEI-KGLIPLIRSA-N 2 1 339.509 1.073 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000332276117 444508199 /nfs/dbraw/zinc/50/81/99/444508199.db2.gz QIZXEVLHDNPAPE-PMPSAXMXSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332276117 444508201 /nfs/dbraw/zinc/50/82/01/444508201.db2.gz QIZXEVLHDNPAPE-PMPSAXMXSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332276117 444508204 /nfs/dbraw/zinc/50/82/04/444508204.db2.gz QIZXEVLHDNPAPE-PMPSAXMXSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000343722393 444546330 /nfs/dbraw/zinc/54/63/30/444546330.db2.gz FAQCPQWOURZKCM-XLIONFOSSA-N 2 1 331.504 1.690 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000333010997 444628810 /nfs/dbraw/zinc/62/88/10/444628810.db2.gz SHNBGHYJQYFTMX-IXDOHACOSA-N 2 1 338.496 1.148 20 0 EDADMP COC(=O)[C@H](C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000338280128 444608708 /nfs/dbraw/zinc/60/87/08/444608708.db2.gz QNILEFUNEFNTJI-CRAIPNDOSA-N 2 1 347.459 1.291 20 0 EDADMP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000342277566 444608868 /nfs/dbraw/zinc/60/88/68/444608868.db2.gz DRRWWCPAGZWZBM-BHIYHBOVSA-N 2 1 343.471 1.583 20 0 EDADMP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000342277566 444608871 /nfs/dbraw/zinc/60/88/71/444608871.db2.gz DRRWWCPAGZWZBM-BHIYHBOVSA-N 2 1 343.471 1.583 20 0 EDADMP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000342277573 444609178 /nfs/dbraw/zinc/60/91/78/444609178.db2.gz DRRWWCPAGZWZBM-QRQLOZEOSA-N 2 1 343.471 1.583 20 0 EDADMP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000342277573 444609182 /nfs/dbraw/zinc/60/91/82/444609182.db2.gz DRRWWCPAGZWZBM-QRQLOZEOSA-N 2 1 343.471 1.583 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC3(C[NH+](C)C)CCC3)cc2)CC1 ZINC000343843944 444622995 /nfs/dbraw/zinc/62/29/95/444622995.db2.gz LMMYIEBSNMBRDE-UHFFFAOYSA-N 2 1 344.503 1.648 20 0 EDADMP O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH+]1C1CC1 ZINC000333000444 444626142 /nfs/dbraw/zinc/62/61/42/444626142.db2.gz JMEFVAJRUGRGSK-IPMKNSEASA-N 2 1 343.471 1.365 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H]1C ZINC000343916185 444667036 /nfs/dbraw/zinc/66/70/36/444667036.db2.gz KWOYGUKINVHPSE-ARFHVFGLSA-N 2 1 326.485 1.221 20 0 EDADMP CN(CC[N@H+](C)CC[S@@](=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000342397267 444675082 /nfs/dbraw/zinc/67/50/82/444675082.db2.gz IRCWYOWVOOGQBJ-HSZRJFAPSA-N 2 1 337.533 1.752 20 0 EDADMP CN(CC[N@@H+](C)CC[S@@](=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000342397267 444675086 /nfs/dbraw/zinc/67/50/86/444675086.db2.gz IRCWYOWVOOGQBJ-HSZRJFAPSA-N 2 1 337.533 1.752 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000333823067 444701547 /nfs/dbraw/zinc/70/15/47/444701547.db2.gz HZYMNXCCSPPIPG-OWCLPIDISA-N 2 1 329.510 1.122 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000341189608 444719443 /nfs/dbraw/zinc/71/94/43/444719443.db2.gz DLYSGQWUPIZJPK-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000341191815 444720565 /nfs/dbraw/zinc/72/05/65/444720565.db2.gz GBMCJIMKABSKOU-AEFFLSMTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000341191815 444720569 /nfs/dbraw/zinc/72/05/69/444720569.db2.gz GBMCJIMKABSKOU-AEFFLSMTSA-N 2 1 330.476 1.997 20 0 EDADMP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000333932280 444722749 /nfs/dbraw/zinc/72/27/49/444722749.db2.gz GQSWNYPEHQYWMT-FJIDUMEYSA-N 2 1 328.460 1.668 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341129432 444689261 /nfs/dbraw/zinc/68/92/61/444689261.db2.gz UKMLYAZTYWSHPP-OAHLLOKOSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000336878482 444824766 /nfs/dbraw/zinc/82/47/66/444824766.db2.gz FQAVWYNPXYKQHH-PASDCYSWSA-N 2 1 337.508 1.900 20 0 EDADMP CC[C@@H](CNC(=O)[C@@H]([NH3+])CCC(=O)OC)[N@H+]1CCc2ccccc2C1 ZINC000342758554 444851675 /nfs/dbraw/zinc/85/16/75/444851675.db2.gz UKXNJLMJXIVIKF-IRXDYDNUSA-N 2 1 347.459 1.220 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000338803528 444859174 /nfs/dbraw/zinc/85/91/74/444859174.db2.gz REUXGNYGLHQJGM-HOCLYGCPSA-N 2 1 334.464 1.691 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000338803528 444859177 /nfs/dbraw/zinc/85/91/77/444859177.db2.gz REUXGNYGLHQJGM-HOCLYGCPSA-N 2 1 334.464 1.691 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCC[N@H+](C)[C@H]3C)CC2)c1 ZINC000344252044 444864092 /nfs/dbraw/zinc/86/40/92/444864092.db2.gz MWMMRZRQROUECI-HOTGVXAUSA-N 2 1 331.464 1.704 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCC[N@@H+](C)[C@H]3C)CC2)c1 ZINC000344252044 444864094 /nfs/dbraw/zinc/86/40/94/444864094.db2.gz MWMMRZRQROUECI-HOTGVXAUSA-N 2 1 331.464 1.704 20 0 EDADMP Cn1ccc([C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccc(F)cc2)n1 ZINC000342803469 444873269 /nfs/dbraw/zinc/87/32/69/444873269.db2.gz YYTVDWRVFASYPD-IBGZPJMESA-N 2 1 346.450 1.943 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@H+]2C[C@@H](C[NH3+])[C@@H](c3ccccc3)C2)C1=O ZINC000337041374 444913495 /nfs/dbraw/zinc/91/34/95/444913495.db2.gz BKWREOXUQCRVMB-HZPDHXFCSA-N 2 1 344.459 1.381 20 0 EDADMP CC(C)[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)[NH+]1CCCCC1 ZINC000342949186 444959717 /nfs/dbraw/zinc/95/97/17/444959717.db2.gz BWAUONCEXMJLLS-QZTJIDSGSA-N 2 1 339.524 1.850 20 0 EDADMP C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CCC[N@@H+]1C ZINC000344461055 444989856 /nfs/dbraw/zinc/98/98/56/444989856.db2.gz XUFZGZDJOKZCDY-BLLLJJGKSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CCC[N@H+]1C ZINC000344461055 444989858 /nfs/dbraw/zinc/98/98/58/444989858.db2.gz XUFZGZDJOKZCDY-BLLLJJGKSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CCC[NH+]1C ZINC000344461055 444989860 /nfs/dbraw/zinc/98/98/60/444989860.db2.gz XUFZGZDJOKZCDY-BLLLJJGKSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CCC[NH+]1C ZINC000344461055 444989862 /nfs/dbraw/zinc/98/98/62/444989862.db2.gz XUFZGZDJOKZCDY-BLLLJJGKSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CCC[N@@H+]1C ZINC000344461061 444990188 /nfs/dbraw/zinc/99/01/88/444990188.db2.gz XUFZGZDJOKZCDY-MLGOLLRUSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CCC[N@H+]1C ZINC000344461061 444990192 /nfs/dbraw/zinc/99/01/92/444990192.db2.gz XUFZGZDJOKZCDY-MLGOLLRUSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CCC[NH+]1C ZINC000344461061 444990195 /nfs/dbraw/zinc/99/01/95/444990195.db2.gz XUFZGZDJOKZCDY-MLGOLLRUSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CCC[NH+]1C ZINC000344461061 444990198 /nfs/dbraw/zinc/99/01/98/444990198.db2.gz XUFZGZDJOKZCDY-MLGOLLRUSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000337385047 445058388 /nfs/dbraw/zinc/05/83/88/445058388.db2.gz FKATYOBOPJKNLB-HHXXYDBFSA-N 2 1 348.491 1.434 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000339408369 445136541 /nfs/dbraw/zinc/13/65/41/445136541.db2.gz AMWBJNGFRVHUKB-IYBDPMFKSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000339408369 445136543 /nfs/dbraw/zinc/13/65/43/445136543.db2.gz AMWBJNGFRVHUKB-IYBDPMFKSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000343178846 445119311 /nfs/dbraw/zinc/11/93/11/445119311.db2.gz UWFHBDMTLVGIAN-HOTGVXAUSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000343178846 445119315 /nfs/dbraw/zinc/11/93/15/445119315.db2.gz UWFHBDMTLVGIAN-HOTGVXAUSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000343178846 445119319 /nfs/dbraw/zinc/11/93/19/445119319.db2.gz UWFHBDMTLVGIAN-HOTGVXAUSA-N 2 1 340.512 1.071 20 0 EDADMP C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Cc1nnc2n1CCCCC2 ZINC000343242951 445157331 /nfs/dbraw/zinc/15/73/31/445157331.db2.gz ASKVHYWOMQWGFW-GVDBMIGSSA-N 2 1 347.507 1.684 20 0 EDADMP C[NH+](CC(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000345073389 445159631 /nfs/dbraw/zinc/15/96/31/445159631.db2.gz XKLYTXNHQILZOK-IKGGRYGDSA-N 2 1 333.501 1.638 20 0 EDADMP O=C1CCCN1C[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348304415 445249775 /nfs/dbraw/zinc/24/97/75/445249775.db2.gz HQWWKUQQWKAMSX-GUDVDZBRSA-N 2 1 343.471 1.034 20 0 EDADMP CC[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)[NH+](C)C ZINC000347905636 445255608 /nfs/dbraw/zinc/25/56/08/445255608.db2.gz SDNGYQLGSBYCOQ-INMHGKMJSA-N 2 1 335.496 1.602 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000348186041 445309534 /nfs/dbraw/zinc/30/95/34/445309534.db2.gz DIJXEQUYNYFDPY-OAHLLOKOSA-N 2 1 332.510 1.244 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000348186041 445309536 /nfs/dbraw/zinc/30/95/36/445309536.db2.gz DIJXEQUYNYFDPY-OAHLLOKOSA-N 2 1 332.510 1.244 20 0 EDADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[NH+](CC)CC ZINC000343638067 445274892 /nfs/dbraw/zinc/27/48/92/445274892.db2.gz KTXVNPSFJYDUDB-KRWDZBQOSA-N 2 1 326.529 1.591 20 0 EDADMP CC[C@@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[NH+](CC)CC ZINC000343638067 445274893 /nfs/dbraw/zinc/27/48/93/445274893.db2.gz KTXVNPSFJYDUDB-KRWDZBQOSA-N 2 1 326.529 1.591 20 0 EDADMP CC(C)N(C)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000359763373 445415478 /nfs/dbraw/zinc/41/54/78/445415478.db2.gz GINSCERJTKZKQE-QGZVFWFLSA-N 2 1 347.507 1.603 20 0 EDADMP CC(C)N(C)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000359763373 445415480 /nfs/dbraw/zinc/41/54/80/445415480.db2.gz GINSCERJTKZKQE-QGZVFWFLSA-N 2 1 347.507 1.603 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cn(C(C)(C)C)nn1 ZINC000349039011 445484785 /nfs/dbraw/zinc/48/47/85/445484785.db2.gz WLJFGLXNKIQOAI-QGZVFWFLSA-N 2 1 336.528 1.881 20 0 EDADMP CN1CC[NH+](CC2CC[NH+](Cc3ccc([S@@](C)=O)cc3)CC2)CC1 ZINC000349037994 445484797 /nfs/dbraw/zinc/48/47/97/445484797.db2.gz UKUQJMNBLYSTIO-XMMPIXPASA-N 2 1 349.544 1.883 20 0 EDADMP CC[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000357170448 445465170 /nfs/dbraw/zinc/46/51/70/445465170.db2.gz FKDDZHPHYZTLQY-MSOLQXFVSA-N 2 1 331.460 1.318 20 0 EDADMP CC1CC[NH+](CCNC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)CC1 ZINC000362712778 445514019 /nfs/dbraw/zinc/51/40/19/445514019.db2.gz XLHIBLXFMFZPNC-DLBZAZTESA-N 2 1 338.496 1.271 20 0 EDADMP CC1CC[NH+](CCNC(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)CC1 ZINC000362712778 445514023 /nfs/dbraw/zinc/51/40/23/445514023.db2.gz XLHIBLXFMFZPNC-DLBZAZTESA-N 2 1 338.496 1.271 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000352489315 445533312 /nfs/dbraw/zinc/53/33/12/445533312.db2.gz ZQELPSFKCAFRIP-ZWKOTPCHSA-N 2 1 349.450 1.929 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000352489315 445533316 /nfs/dbraw/zinc/53/33/16/445533316.db2.gz ZQELPSFKCAFRIP-ZWKOTPCHSA-N 2 1 349.450 1.929 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000349058885 445490074 /nfs/dbraw/zinc/49/00/74/445490074.db2.gz XDTHGCXJFKBXAZ-UHFFFAOYSA-N 2 1 339.528 1.188 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000359948868 445501488 /nfs/dbraw/zinc/50/14/88/445501488.db2.gz IHIWUOAKBDBOIX-DLBZAZTESA-N 2 1 325.497 1.770 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CN2CC[NH+](CC)CC2)c1 ZINC000360097880 445565268 /nfs/dbraw/zinc/56/52/68/445565268.db2.gz MDLGXIOLJULTKA-UHFFFAOYSA-N 2 1 332.492 1.392 20 0 EDADMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000357889790 445590088 /nfs/dbraw/zinc/59/00/88/445590088.db2.gz FKZLUAHLIAIJLO-WCXIOVBPSA-N 2 1 338.496 1.220 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000357889790 445590091 /nfs/dbraw/zinc/59/00/91/445590091.db2.gz FKZLUAHLIAIJLO-WCXIOVBPSA-N 2 1 338.496 1.220 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000360125546 445581207 /nfs/dbraw/zinc/58/12/07/445581207.db2.gz PLGFSESUXMTRTC-HZPDHXFCSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000360125546 445581210 /nfs/dbraw/zinc/58/12/10/445581210.db2.gz PLGFSESUXMTRTC-HZPDHXFCSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000360125546 445581216 /nfs/dbraw/zinc/58/12/16/445581216.db2.gz PLGFSESUXMTRTC-HZPDHXFCSA-N 2 1 340.512 1.610 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000362771529 445542459 /nfs/dbraw/zinc/54/24/59/445542459.db2.gz YTSGWVSGEGDQOF-UHFFFAOYSA-N 2 1 346.519 1.752 20 0 EDADMP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccn(C)n1 ZINC000349535975 445607226 /nfs/dbraw/zinc/60/72/26/445607226.db2.gz LXSROGJLMKHSAU-QGZVFWFLSA-N 2 1 343.475 1.952 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000358159033 445608373 /nfs/dbraw/zinc/60/83/73/445608373.db2.gz JISKLERRGCWQJJ-PMPSAXMXSA-N 2 1 342.528 1.902 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000358159033 445608377 /nfs/dbraw/zinc/60/83/77/445608377.db2.gz JISKLERRGCWQJJ-PMPSAXMXSA-N 2 1 342.528 1.902 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358512858 445625720 /nfs/dbraw/zinc/62/57/20/445625720.db2.gz UOUSLYXRXHJLDF-UHFFFAOYSA-N 2 1 331.460 1.429 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358519762 445630448 /nfs/dbraw/zinc/63/04/48/445630448.db2.gz SONCOMLXTIGBSL-UHFFFAOYSA-N 2 1 345.487 1.915 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000349642161 445631548 /nfs/dbraw/zinc/63/15/48/445631548.db2.gz FOQKBGDWZAJMAL-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000349642161 445631554 /nfs/dbraw/zinc/63/15/54/445631554.db2.gz FOQKBGDWZAJMAL-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000360141132 445591429 /nfs/dbraw/zinc/59/14/29/445591429.db2.gz OBONBZWBRJWEJK-HOTGVXAUSA-N 2 1 331.464 2.118 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]c1 ZINC000360141132 445591432 /nfs/dbraw/zinc/59/14/32/445591432.db2.gz OBONBZWBRJWEJK-HOTGVXAUSA-N 2 1 331.464 2.118 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]c1 ZINC000360141132 445591434 /nfs/dbraw/zinc/59/14/34/445591434.db2.gz OBONBZWBRJWEJK-HOTGVXAUSA-N 2 1 331.464 2.118 20 0 EDADMP CC[NH+](CC)CCSCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363053086 445662240 /nfs/dbraw/zinc/66/22/40/445662240.db2.gz CXDUTXXFWKLQRO-GJZGRUSLSA-N 2 1 329.510 1.041 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)cn1 ZINC000353631715 445683320 /nfs/dbraw/zinc/68/33/20/445683320.db2.gz GAGYNVCAONYIAR-IBGZPJMESA-N 2 1 347.507 1.717 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)cn1 ZINC000353631715 445683322 /nfs/dbraw/zinc/68/33/22/445683322.db2.gz GAGYNVCAONYIAR-IBGZPJMESA-N 2 1 347.507 1.717 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358678501 445711612 /nfs/dbraw/zinc/71/16/12/445711612.db2.gz GVIBWGFWXDEPEM-LJQANCHMSA-N 2 1 348.491 1.394 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000363247610 445738856 /nfs/dbraw/zinc/73/88/56/445738856.db2.gz RGLIBCIKFALJFN-UHFFFAOYSA-N 2 1 326.444 1.797 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CCC[NH+](C)CCN(C)C ZINC000358721181 445741676 /nfs/dbraw/zinc/74/16/76/445741676.db2.gz IILNWPNHAAGPDJ-QGZVFWFLSA-N 2 1 341.544 1.386 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000358721181 445741679 /nfs/dbraw/zinc/74/16/79/445741679.db2.gz IILNWPNHAAGPDJ-QGZVFWFLSA-N 2 1 341.544 1.386 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000358721181 445741683 /nfs/dbraw/zinc/74/16/83/445741683.db2.gz IILNWPNHAAGPDJ-QGZVFWFLSA-N 2 1 341.544 1.386 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000358721181 445741688 /nfs/dbraw/zinc/74/16/88/445741688.db2.gz IILNWPNHAAGPDJ-QGZVFWFLSA-N 2 1 341.544 1.386 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000358721181 445741693 /nfs/dbraw/zinc/74/16/93/445741693.db2.gz IILNWPNHAAGPDJ-QGZVFWFLSA-N 2 1 341.544 1.386 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000353931361 445816952 /nfs/dbraw/zinc/81/69/52/445816952.db2.gz YPWUSSDYTLPLOF-HOCLYGCPSA-N 2 1 328.526 1.597 20 0 EDADMP C[NH+](C)[C@@]1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCc2ccccc21 ZINC000363407250 445791750 /nfs/dbraw/zinc/79/17/50/445791750.db2.gz VCMKUJBHGJMRQU-YWZLYKJASA-N 2 1 327.472 1.990 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)C[NH+]1CCOCC1 ZINC000350267828 445803991 /nfs/dbraw/zinc/80/39/91/445803991.db2.gz OMKFIJHSDBAHKF-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)C[NH+]1CCOCC1 ZINC000350267828 445803997 /nfs/dbraw/zinc/80/39/97/445803997.db2.gz OMKFIJHSDBAHKF-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000358846565 445807415 /nfs/dbraw/zinc/80/74/15/445807415.db2.gz KTOGAEATZCUESB-WBVHZDCISA-N 2 1 325.497 1.412 20 0 EDADMP COC1(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)CCCC1 ZINC000361554534 445815906 /nfs/dbraw/zinc/81/59/06/445815906.db2.gz UCEBECCTLNZPOI-GOSISDBHSA-N 2 1 339.524 1.672 20 0 EDADMP COCC1(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC[NH2+]CC1 ZINC000358892025 445834558 /nfs/dbraw/zinc/83/45/58/445834558.db2.gz YMXFNLXGKVOVMP-FUHWJXTLSA-N 2 1 345.487 1.954 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000356526358 445841696 /nfs/dbraw/zinc/84/16/96/445841696.db2.gz PFKMMPHLVKRECL-INIZCTEOSA-N 2 1 340.512 1.071 20 0 EDADMP [NH3+]Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccn1 ZINC000361609998 445846928 /nfs/dbraw/zinc/84/69/28/445846928.db2.gz KXSWHMKBSSFRHO-KRWDZBQOSA-N 2 1 338.455 1.835 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000350617566 445855223 /nfs/dbraw/zinc/85/52/23/445855223.db2.gz GBKZZHFAVBWWMI-GJZGRUSLSA-N 2 1 340.512 1.070 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000358938503 445857670 /nfs/dbraw/zinc/85/76/70/445857670.db2.gz LJFWFMUBYAIMIK-INIZCTEOSA-N 2 1 341.544 1.432 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1O ZINC000369112175 445935594 /nfs/dbraw/zinc/93/55/94/445935594.db2.gz KHPJVXNJAKADSN-DOTOQJQBSA-N 2 1 333.476 1.859 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1O ZINC000369112175 445935598 /nfs/dbraw/zinc/93/55/98/445935598.db2.gz KHPJVXNJAKADSN-DOTOQJQBSA-N 2 1 333.476 1.859 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000582240404 325805318 /nfs/dbraw/zinc/80/53/18/325805318.db2.gz LIRKYWFQFLJBQM-UHFFFAOYSA-N 2 1 333.480 1.138 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000356644511 445909369 /nfs/dbraw/zinc/90/93/69/445909369.db2.gz AMNOBLUNMICBQI-HOTGVXAUSA-N 2 1 340.512 1.659 20 0 EDADMP Cn1cc(N2CCC[C@@H]([N@H+](C)C[C@H]3CCn4cc[nH+]c4C3)C2=O)cn1 ZINC000366014809 445962389 /nfs/dbraw/zinc/96/23/89/445962389.db2.gz ZEPJORUKAJMVLQ-GOEBONIOSA-N 2 1 342.447 1.306 20 0 EDADMP Cn1cc(N2CCC[C@@H]([N@@H+](C)C[C@H]3CCn4cc[nH+]c4C3)C2=O)cn1 ZINC000366014809 445962398 /nfs/dbraw/zinc/96/23/98/445962398.db2.gz ZEPJORUKAJMVLQ-GOEBONIOSA-N 2 1 342.447 1.306 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@]2(F)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000364864295 445962552 /nfs/dbraw/zinc/96/25/52/445962552.db2.gz GNDOTXDJJRESPE-HKUYNNGSSA-N 2 1 348.466 1.183 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@]2(F)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000364864295 445962557 /nfs/dbraw/zinc/96/25/57/445962557.db2.gz GNDOTXDJJRESPE-HKUYNNGSSA-N 2 1 348.466 1.183 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@]2(F)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000364864295 445962563 /nfs/dbraw/zinc/96/25/63/445962563.db2.gz GNDOTXDJJRESPE-HKUYNNGSSA-N 2 1 348.466 1.183 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)CCCOC)C[C@@H]1C ZINC000361790682 445948396 /nfs/dbraw/zinc/94/83/96/445948396.db2.gz VPZZWBWTYAKURL-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC000354251059 446045546 /nfs/dbraw/zinc/04/55/46/446045546.db2.gz BUOKPJCMKIDCJD-ULQDDVLXSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000583811674 326144810 /nfs/dbraw/zinc/14/48/10/326144810.db2.gz PAJUQGGPZHBQFG-HOTGVXAUSA-N 2 1 334.468 1.163 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000583829897 326148590 /nfs/dbraw/zinc/14/85/90/326148590.db2.gz WCTIMZYGQAENMW-PBHICJAKSA-N 2 1 344.459 1.417 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000583829897 326148594 /nfs/dbraw/zinc/14/85/94/326148594.db2.gz WCTIMZYGQAENMW-PBHICJAKSA-N 2 1 344.459 1.417 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000583829897 326148597 /nfs/dbraw/zinc/14/85/97/326148597.db2.gz WCTIMZYGQAENMW-PBHICJAKSA-N 2 1 344.459 1.417 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000583829897 326148599 /nfs/dbraw/zinc/14/85/99/326148599.db2.gz WCTIMZYGQAENMW-PBHICJAKSA-N 2 1 344.459 1.417 20 0 EDADMP COc1cccc(CC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000365225958 446088250 /nfs/dbraw/zinc/08/82/50/446088250.db2.gz NDLVDPJSCQLZAN-GOSISDBHSA-N 2 1 345.487 1.865 20 0 EDADMP COc1cccc(CC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000365225958 446088253 /nfs/dbraw/zinc/08/82/53/446088253.db2.gz NDLVDPJSCQLZAN-GOSISDBHSA-N 2 1 345.487 1.865 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)C[C@@H]12 ZINC000351476250 446077385 /nfs/dbraw/zinc/07/73/85/446077385.db2.gz KHXNVAKXODXETJ-BZUAXINKSA-N 2 1 330.432 1.072 20 0 EDADMP CN(CCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000351491371 446093505 /nfs/dbraw/zinc/09/35/05/446093505.db2.gz JUDVXQIWZGCKRM-RYQLBKOJSA-N 2 1 330.476 1.298 20 0 EDADMP CN(CCCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000351491371 446093511 /nfs/dbraw/zinc/09/35/11/446093511.db2.gz JUDVXQIWZGCKRM-RYQLBKOJSA-N 2 1 330.476 1.298 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351494105 446096686 /nfs/dbraw/zinc/09/66/86/446096686.db2.gz NHVHNOVXCUHWCD-UHOSZYNNSA-N 2 1 345.487 1.897 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351494105 446096693 /nfs/dbraw/zinc/09/66/93/446096693.db2.gz NHVHNOVXCUHWCD-UHOSZYNNSA-N 2 1 345.487 1.897 20 0 EDADMP C([NH+]1CC[C@H]2OCC[C@H]2C1)C1(C[N@H+]2CC[C@H]3OCC[C@H]3C2)COC1 ZINC000369648158 446140264 /nfs/dbraw/zinc/14/02/64/446140264.db2.gz NSGUSIWICNXJHS-WNRNVDISSA-N 2 1 336.476 1.225 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000356894387 446101344 /nfs/dbraw/zinc/10/13/44/446101344.db2.gz LBBONSUXGBSFTQ-SJORKVTESA-N 2 1 327.513 1.802 20 0 EDADMP CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369647192 446140355 /nfs/dbraw/zinc/14/03/55/446140355.db2.gz IWBZDEVWEVCHQN-LJQANCHMSA-N 2 1 348.535 1.488 20 0 EDADMP CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369647192 446140358 /nfs/dbraw/zinc/14/03/58/446140358.db2.gz IWBZDEVWEVCHQN-LJQANCHMSA-N 2 1 348.535 1.488 20 0 EDADMP CCCOc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351502052 446106885 /nfs/dbraw/zinc/10/68/85/446106885.db2.gz YXMJAMAFAIAQDQ-RYQLBKOJSA-N 2 1 331.460 1.761 20 0 EDADMP CCCOc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351502052 446106891 /nfs/dbraw/zinc/10/68/91/446106891.db2.gz YXMJAMAFAIAQDQ-RYQLBKOJSA-N 2 1 331.460 1.761 20 0 EDADMP Cc1cnc(N(C)CC[N@@H+](C)C2CC2)nc1N(C)CC[NH+](C)C1CC1 ZINC000351583125 446180469 /nfs/dbraw/zinc/18/04/69/446180469.db2.gz HFYXDPQBLJUUFD-UHFFFAOYSA-N 2 1 346.523 1.846 20 0 EDADMP Cc1cnc(N(C)CC[NH+](C)C2CC2)nc1N(C)CC[N@H+](C)C1CC1 ZINC000351583125 446180475 /nfs/dbraw/zinc/18/04/75/446180475.db2.gz HFYXDPQBLJUUFD-UHFFFAOYSA-N 2 1 346.523 1.846 20 0 EDADMP Cc1cnc(N(C)CC[NH+](C)C2CC2)nc1N(C)CC[N@@H+](C)C1CC1 ZINC000351583125 446180479 /nfs/dbraw/zinc/18/04/79/446180479.db2.gz HFYXDPQBLJUUFD-UHFFFAOYSA-N 2 1 346.523 1.846 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)[C@H](CO)C2)CC1 ZINC000362064413 446187681 /nfs/dbraw/zinc/18/76/81/446187681.db2.gz JPFJOVLGVHRKOU-HKUYNNGSSA-N 2 1 345.487 1.199 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)[C@H](CO)C2)CC1 ZINC000362064413 446187685 /nfs/dbraw/zinc/18/76/85/446187685.db2.gz JPFJOVLGVHRKOU-HKUYNNGSSA-N 2 1 345.487 1.199 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)Cc2cn3c(n2)CCCC3)C1 ZINC000365405551 446190811 /nfs/dbraw/zinc/19/08/11/446190811.db2.gz LWIRYMBVWDBMRA-AWEZNQCLSA-N 2 1 335.452 1.082 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000359412574 446208282 /nfs/dbraw/zinc/20/82/82/446208282.db2.gz GWLGGGMYOLSHAG-RHSMWYFYSA-N 2 1 337.489 1.656 20 0 EDADMP CCCCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)C1(C)C ZINC000351623194 446216831 /nfs/dbraw/zinc/21/68/31/446216831.db2.gz HORXXPNBTGKGSN-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366578538 446266510 /nfs/dbraw/zinc/26/65/10/446266510.db2.gz ZJFJJWCYQWXOHR-RBUKOAKNSA-N 2 1 342.487 1.015 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000359576773 446301218 /nfs/dbraw/zinc/30/12/18/446301218.db2.gz FVILXZFASDUHMU-KRWDZBQOSA-N 2 1 338.540 1.593 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@@H]1SC ZINC000362322203 446319110 /nfs/dbraw/zinc/31/91/10/446319110.db2.gz MCVNYWNBOZEBAD-BARDWOONSA-N 2 1 329.510 1.072 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000365738355 446322915 /nfs/dbraw/zinc/32/29/15/446322915.db2.gz PKIBXFKAINEHNE-GOEBONIOSA-N 2 1 325.453 1.087 20 0 EDADMP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000370587522 446344125 /nfs/dbraw/zinc/34/41/25/446344125.db2.gz IPPQKSUAVWFMPX-QFBILLFUSA-N 2 1 347.507 1.651 20 0 EDADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCC(=O)N1CCOCC1)CC2)C1CC1 ZINC000374294624 446361076 /nfs/dbraw/zinc/36/10/76/446361076.db2.gz HMXRFNSLDVZIAQ-INIZCTEOSA-N 2 1 335.492 1.432 20 0 EDADMP COCC1(CNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC[NH2+]CC1 ZINC000417531963 446362745 /nfs/dbraw/zinc/36/27/45/446362745.db2.gz KDCAZFJXTWMQCT-IYBDPMFKSA-N 2 1 340.512 1.565 20 0 EDADMP C[C@H](CCNC(=O)NC[C@@H]1C[NH2+]CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000417822929 446374257 /nfs/dbraw/zinc/37/42/57/446374257.db2.gz XOLWCLNUOZSCRP-AEFFLSMTSA-N 2 1 348.491 1.575 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000365871996 446381179 /nfs/dbraw/zinc/38/11/79/446381179.db2.gz SWXFAGVWPFBBPP-CABCVRRESA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000417907423 446382046 /nfs/dbraw/zinc/38/20/46/446382046.db2.gz FAGOMEWWIQQWAS-ZIAGYGMSSA-N 2 1 332.439 1.651 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000417908620 446383749 /nfs/dbraw/zinc/38/37/49/446383749.db2.gz GTOZXEPLSJVMHN-OKZBNKHCSA-N 2 1 336.524 1.995 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000365881979 446385843 /nfs/dbraw/zinc/38/58/43/446385843.db2.gz DYTXQFQRYFLIKY-GOSISDBHSA-N 2 1 344.503 1.600 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000417941286 446393511 /nfs/dbraw/zinc/39/35/11/446393511.db2.gz YTWRTHKSTUSMGQ-WTTBNOFXSA-N 2 1 348.878 1.946 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000417941286 446393514 /nfs/dbraw/zinc/39/35/14/446393514.db2.gz YTWRTHKSTUSMGQ-WTTBNOFXSA-N 2 1 348.878 1.946 20 0 EDADMP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420248786 446431680 /nfs/dbraw/zinc/43/16/80/446431680.db2.gz WZGGQPSWTUUPSR-CYBMUJFWSA-N 2 1 345.344 1.960 20 0 EDADMP CC(C)[C@H]1OCCC[C@H]1Nc1nc(N2CCC(O)(C[NH3+])CC2)cc[nH+]1 ZINC000420276419 446445368 /nfs/dbraw/zinc/44/53/68/446445368.db2.gz RQFOHCJXFJURLJ-GDBMZVCRSA-N 2 1 349.479 1.382 20 0 EDADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366987429 446446224 /nfs/dbraw/zinc/44/62/24/446446224.db2.gz HYCUSLXQLQKOBH-JQHSSLGASA-N 2 1 347.434 1.237 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NC[C@H]2C[NH2+]CCCO2)n1 ZINC000420285786 446451091 /nfs/dbraw/zinc/45/10/91/446451091.db2.gz ZUHPAVLEQZJOTB-INMHGKMJSA-N 2 1 349.479 1.883 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@H](C)C[NH2+]1 ZINC000417989373 446409451 /nfs/dbraw/zinc/40/94/51/446409451.db2.gz JKYXJRPYELBLLK-RKVPGOIHSA-N 2 1 346.475 1.145 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417990924 446410480 /nfs/dbraw/zinc/41/04/80/446410480.db2.gz JYOLLZOVIUFVSZ-GJZGRUSLSA-N 2 1 326.391 1.747 20 0 EDADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417990924 446410484 /nfs/dbraw/zinc/41/04/84/446410484.db2.gz JYOLLZOVIUFVSZ-GJZGRUSLSA-N 2 1 326.391 1.747 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418008205 446413958 /nfs/dbraw/zinc/41/39/58/446413958.db2.gz GWOGXPHYBQLTQK-OWYHZJEWSA-N 2 1 342.487 1.900 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC3(Cc4ccccc4C3)C2)CC1 ZINC000374865336 446423975 /nfs/dbraw/zinc/42/39/75/446423975.db2.gz VVXSKABJQQMUMH-UHFFFAOYSA-N 2 1 327.472 1.641 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC3(Cc4ccccc4C3)C2)CC1 ZINC000374865336 446423980 /nfs/dbraw/zinc/42/39/80/446423980.db2.gz VVXSKABJQQMUMH-UHFFFAOYSA-N 2 1 327.472 1.641 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCN4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423207931 446454120 /nfs/dbraw/zinc/45/41/20/446454120.db2.gz SMBFFHNNAWSZJS-PWRODBHTSA-N 3 1 342.531 1.782 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000420291443 446455973 /nfs/dbraw/zinc/45/59/73/446455973.db2.gz NNJYHMWRYVKRDL-SFHVURJKSA-N 2 1 344.503 1.323 20 0 EDADMP [NH3+]CCC[C@@H](NC(=O)NCC[N@H+]1CCCOCC1)c1ccccc1 ZINC000418220564 446462706 /nfs/dbraw/zinc/46/27/06/446462706.db2.gz HDGYAKCNDHLMNA-QGZVFWFLSA-N 2 1 334.464 1.488 20 0 EDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423262377 446469131 /nfs/dbraw/zinc/46/91/31/446469131.db2.gz MHACLBFFKINRJM-DZGCQCFKSA-N 2 1 327.494 1.961 20 0 EDADMP COC(=O)CC1(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000420314842 446480515 /nfs/dbraw/zinc/48/05/15/446480515.db2.gz RAJCACPIFXTPDS-HNNXBMFYSA-N 2 1 346.475 1.708 20 0 EDADMP COC(=O)CC1(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000420314842 446480518 /nfs/dbraw/zinc/48/05/18/446480518.db2.gz RAJCACPIFXTPDS-HNNXBMFYSA-N 2 1 346.475 1.708 20 0 EDADMP COCC1(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH2+]CC1 ZINC000418289284 446485841 /nfs/dbraw/zinc/48/58/41/446485841.db2.gz JDVFERHHLOYIQO-HNNXBMFYSA-N 2 1 326.485 1.034 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000420319379 446486564 /nfs/dbraw/zinc/48/65/64/446486564.db2.gz PEXTWZUKVRFCRR-GOSISDBHSA-N 3 1 336.524 1.252 20 0 EDADMP [NH3+]C1(CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CCCCCC1 ZINC000418287799 446484866 /nfs/dbraw/zinc/48/48/66/446484866.db2.gz VBRZZHBHGDGYGI-OAHLLOKOSA-N 2 1 326.485 1.184 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418285253 446484994 /nfs/dbraw/zinc/48/49/94/446484994.db2.gz ORMYMDLEENRTKE-UHFFFAOYSA-N 2 1 339.528 1.317 20 0 EDADMP C[N@@H+](CCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000423330822 446490881 /nfs/dbraw/zinc/49/08/81/446490881.db2.gz NWAHLTBEJHMWOX-AWEZNQCLSA-N 2 1 333.480 1.871 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC2CC[NH2+]CC2)CC1 ZINC000418316216 446495918 /nfs/dbraw/zinc/49/59/18/446495918.db2.gz ZIKQMVCDXIFRNY-UHFFFAOYSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423334002 446492809 /nfs/dbraw/zinc/49/28/09/446492809.db2.gz QFTMLARFYMTEKO-CABCVRRESA-N 2 1 333.480 1.491 20 0 EDADMP CC[NH2+]CCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418332604 446503190 /nfs/dbraw/zinc/50/31/90/446503190.db2.gz ZQFLHSLONKAPBN-IBGZPJMESA-N 2 1 330.476 1.904 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000420335372 446506669 /nfs/dbraw/zinc/50/66/69/446506669.db2.gz HFBVQLJOYAJMNV-ZWKOTPCHSA-N 2 1 327.472 1.893 20 0 EDADMP CCOc1ccccc1NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420337123 446507583 /nfs/dbraw/zinc/50/75/83/446507583.db2.gz WKFBWSOTEINIBP-BEFAXECRSA-N 2 1 347.459 1.852 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000423376078 446509110 /nfs/dbraw/zinc/50/91/10/446509110.db2.gz AJHDQXQSPWQNOK-JKSUJKDBSA-N 2 1 340.512 1.151 20 0 EDADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)[C@H]1C ZINC000423517298 446559078 /nfs/dbraw/zinc/55/90/78/446559078.db2.gz XVKSGYBLEJHOQD-NRNWYNIKSA-N 2 1 337.508 1.770 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000418493375 446564699 /nfs/dbraw/zinc/56/46/99/446564699.db2.gz WFSTYPBVCHINMI-HKUYNNGSSA-N 2 1 342.443 1.205 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418492396 446565469 /nfs/dbraw/zinc/56/54/69/446565469.db2.gz VANFQHQAPPQMIR-QAPCUYQASA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344765 446517134 /nfs/dbraw/zinc/51/71/34/446517134.db2.gz USJNWFONEPRRTO-KFWWJZLASA-N 2 1 333.501 1.953 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420345742 446519833 /nfs/dbraw/zinc/51/98/33/446519833.db2.gz WNQNNFNDOAGYFH-HZPDHXFCSA-N 2 1 344.459 1.436 20 0 EDADMP O=C(CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1cc(F)cc(F)c1 ZINC000420348330 446523424 /nfs/dbraw/zinc/52/34/24/446523424.db2.gz KVWPYVHZJANQAC-INIZCTEOSA-N 2 1 338.402 1.273 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000418388126 446524359 /nfs/dbraw/zinc/52/43/59/446524359.db2.gz POLKZWWFTQVAKB-SJORKVTESA-N 2 1 333.480 1.528 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418393484 446525855 /nfs/dbraw/zinc/52/58/55/446525855.db2.gz WXUKHVJSQBYFFK-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)NCCOc1cccc(Cl)c1 ZINC000420358784 446539322 /nfs/dbraw/zinc/53/93/22/446539322.db2.gz JEGGMFRIUPXWFV-HNNXBMFYSA-N 2 1 339.867 1.813 20 0 EDADMP NS(=O)(=O)c1ccc(OCC[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420361880 446541023 /nfs/dbraw/zinc/54/10/23/446541023.db2.gz NRRUREXFRJHKPV-MRXNPFEDSA-N 2 1 341.477 1.210 20 0 EDADMP Cc1cccc(OCCCNC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000420360333 446541814 /nfs/dbraw/zinc/54/18/14/446541814.db2.gz LBQSIUCNKTYMRB-QGZVFWFLSA-N 2 1 333.476 1.858 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418469350 446554928 /nfs/dbraw/zinc/55/49/28/446554928.db2.gz PHSDLOQERTYRTP-IEBWSBKVSA-N 2 1 346.475 1.002 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000423553173 446570093 /nfs/dbraw/zinc/57/00/93/446570093.db2.gz VTNPQCVQQRGWDQ-NVXWUHKLSA-N 2 1 337.414 1.999 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000423553173 446570103 /nfs/dbraw/zinc/57/01/03/446570103.db2.gz VTNPQCVQQRGWDQ-NVXWUHKLSA-N 2 1 337.414 1.999 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[C@H](C[NH+](C)C)C2)CCCO1 ZINC000433465770 446579272 /nfs/dbraw/zinc/57/92/72/446579272.db2.gz IXWIJISRDNHNQX-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433466040 446579917 /nfs/dbraw/zinc/57/99/17/446579917.db2.gz KORGSBBBDVFJQL-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433466040 446579924 /nfs/dbraw/zinc/57/99/24/446579924.db2.gz KORGSBBBDVFJQL-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433466040 446579930 /nfs/dbraw/zinc/57/99/30/446579930.db2.gz KORGSBBBDVFJQL-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1CC[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000420406704 446580497 /nfs/dbraw/zinc/58/04/97/446580497.db2.gz NVXYAIFKMZVGGM-DOTOQJQBSA-N 2 1 339.505 1.365 20 0 EDADMP C[C@H]1CC[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000420406704 446580502 /nfs/dbraw/zinc/58/05/02/446580502.db2.gz NVXYAIFKMZVGGM-DOTOQJQBSA-N 2 1 339.505 1.365 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420409401 446582804 /nfs/dbraw/zinc/58/28/04/446582804.db2.gz VNULWNPIQZDDHT-FHLIZLRMSA-N 2 1 328.460 1.968 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418530110 446583794 /nfs/dbraw/zinc/58/37/94/446583794.db2.gz ALFJCGSJQRLECH-AEFFLSMTSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418587199 446603430 /nfs/dbraw/zinc/60/34/30/446603430.db2.gz GLNBMOMIRSKEHS-FUHWJXTLSA-N 2 1 330.476 1.554 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000418696495 446651427 /nfs/dbraw/zinc/65/14/27/446651427.db2.gz KYOOUAJLNXTQJE-GJZGRUSLSA-N 2 1 334.464 1.648 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)cc1 ZINC000423732703 446666163 /nfs/dbraw/zinc/66/61/63/446666163.db2.gz PAXOMWIJNMXENE-MSOLQXFVSA-N 2 1 347.459 1.236 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](CNc2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000435346055 446692604 /nfs/dbraw/zinc/69/26/04/446692604.db2.gz OJWDIKKHBPKIHP-CVEARBPZSA-N 2 1 333.480 2.457 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNc2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000435346055 446692612 /nfs/dbraw/zinc/69/26/12/446692612.db2.gz OJWDIKKHBPKIHP-CVEARBPZSA-N 2 1 333.480 2.457 20 0 EDADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000375346561 446738712 /nfs/dbraw/zinc/73/87/12/446738712.db2.gz AHSKSUSLKLYTOB-HNNXBMFYSA-N 2 1 334.464 1.926 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)c1cncc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000420632766 446712796 /nfs/dbraw/zinc/71/27/96/446712796.db2.gz IBGNIAJBJKGWON-HOTGVXAUSA-N 2 1 332.496 1.537 20 0 EDADMP CSC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C[C@H](O)CSC)CC2 ZINC000375316156 446714509 /nfs/dbraw/zinc/71/45/09/446714509.db2.gz WKMJAELFRXSCER-GJZGRUSLSA-N 2 1 348.578 1.222 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000368230265 446724716 /nfs/dbraw/zinc/72/47/16/446724716.db2.gz WFFZVDMUCOAPTK-KSZLIROESA-N 2 1 336.524 1.010 20 0 EDADMP Cc1cc(N2CCC([N@@H+](C)Cc3n[nH]c(=O)s3)CC2)nc(C)n1 ZINC000375359677 446745908 /nfs/dbraw/zinc/74/59/08/446745908.db2.gz FGCNAZZIDYSIQW-UHFFFAOYSA-N 2 1 334.449 1.751 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)CC[C@@H]21 ZINC000423899010 446750328 /nfs/dbraw/zinc/75/03/28/446750328.db2.gz ITGLEAPTBYBRRQ-IMFGXOCKSA-N 2 1 327.472 1.860 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)COc1ccccc1 ZINC000371293471 446750727 /nfs/dbraw/zinc/75/07/27/446750727.db2.gz GTJXGTJOCZJZLT-UKBAYJJMSA-N 2 1 334.460 1.610 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)COc1ccccc1 ZINC000371293471 446750732 /nfs/dbraw/zinc/75/07/32/446750732.db2.gz GTJXGTJOCZJZLT-UKBAYJJMSA-N 2 1 334.460 1.610 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C[C@@H]1C ZINC000423905215 446755001 /nfs/dbraw/zinc/75/50/01/446755001.db2.gz YSQAUKRRQRDNLQ-KBPBESRZSA-N 2 1 333.432 1.416 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C[C@@H]1C ZINC000423905215 446755004 /nfs/dbraw/zinc/75/50/04/446755004.db2.gz YSQAUKRRQRDNLQ-KBPBESRZSA-N 2 1 333.432 1.416 20 0 EDADMP C[C@@H]1C[N@H+](CCC(=O)OC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371303007 446757798 /nfs/dbraw/zinc/75/77/98/446757798.db2.gz MGJNCCVXXAUVIM-CVEARBPZSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H]1C[N@@H+](CCC(=O)OC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371303007 446757806 /nfs/dbraw/zinc/75/78/06/446757806.db2.gz MGJNCCVXXAUVIM-CVEARBPZSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H](C(=O)NC1CCN(c2[nH+]ccn2C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423912074 446761977 /nfs/dbraw/zinc/76/19/77/446761977.db2.gz JCZGJLYVCACUDJ-PBHICJAKSA-N 2 1 341.459 1.841 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnn4ccccc34)C2)CC1 ZINC000371331295 446779892 /nfs/dbraw/zinc/77/98/92/446779892.db2.gz GMAJRNSMTSCWJZ-GOSISDBHSA-N 2 1 327.476 1.935 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000423934694 446785127 /nfs/dbraw/zinc/78/51/27/446785127.db2.gz WMNOYCPIIFAFDE-HLLBOEOZSA-N 2 1 335.496 1.650 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1)C1CC1 ZINC000412015351 446786535 /nfs/dbraw/zinc/78/65/35/446786535.db2.gz ZXFDVPZNXNLUOO-OALUTQOASA-N 2 1 348.487 1.562 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1)C1CC1 ZINC000412015351 446786537 /nfs/dbraw/zinc/78/65/37/446786537.db2.gz ZXFDVPZNXNLUOO-OALUTQOASA-N 2 1 348.487 1.562 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC000454143505 446789692 /nfs/dbraw/zinc/78/96/92/446789692.db2.gz SQKFVNONATYRCI-MJGOQNOKSA-N 2 1 342.487 1.997 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423959484 446798040 /nfs/dbraw/zinc/79/80/40/446798040.db2.gz CJOIJYMHIVUPGE-GOSISDBHSA-N 2 1 332.492 1.610 20 0 EDADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375463793 446818357 /nfs/dbraw/zinc/81/83/57/446818357.db2.gz FYGCVSCIYBJHEI-DJIMGWMZSA-N 2 1 346.475 1.893 20 0 EDADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375463793 446818364 /nfs/dbraw/zinc/81/83/64/446818364.db2.gz FYGCVSCIYBJHEI-DJIMGWMZSA-N 2 1 346.475 1.893 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)[nH+]c1 ZINC000368386246 446828600 /nfs/dbraw/zinc/82/86/00/446828600.db2.gz VMFCMIPNTOLNOB-DLBZAZTESA-N 2 1 328.460 1.817 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000371416117 446840900 /nfs/dbraw/zinc/84/09/00/446840900.db2.gz JNEYANBBWHOEBH-QGZVFWFLSA-N 2 1 343.471 1.793 20 0 EDADMP [NH3+]C[C@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000423972656 446802322 /nfs/dbraw/zinc/80/23/22/446802322.db2.gz ZWOBIMIDUVJZRH-IBGZPJMESA-N 2 1 344.503 1.438 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCC(=O)OC)CC2)CC1 ZINC000368353161 446806637 /nfs/dbraw/zinc/80/66/37/446806637.db2.gz CQVNZGRIYGOOIZ-UHFFFAOYSA-N 2 1 339.480 1.206 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424154056 446859676 /nfs/dbraw/zinc/85/96/76/446859676.db2.gz KZLJTIJHOIJIMJ-QXSJWSMHSA-N 2 1 348.495 1.299 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000424453244 446874174 /nfs/dbraw/zinc/87/41/74/446874174.db2.gz JYVOAQDOGQMXIA-UHFFFAOYSA-N 2 1 346.475 1.773 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000419031201 446874742 /nfs/dbraw/zinc/87/47/42/446874742.db2.gz ULOLVWUAWDDAAJ-QGZVFWFLSA-N 2 1 346.475 1.013 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000424458639 446877139 /nfs/dbraw/zinc/87/71/39/446877139.db2.gz UOILXCLOYZFUFJ-DZGCQCFKSA-N 2 1 346.475 1.629 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000419079753 446910942 /nfs/dbraw/zinc/91/09/42/446910942.db2.gz NTJPHLSFEAYTRS-GJZGRUSLSA-N 2 1 326.485 1.001 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454533548 446903537 /nfs/dbraw/zinc/90/35/37/446903537.db2.gz WMZKECUFUDYIQU-QGZVFWFLSA-N 2 1 338.496 1.413 20 0 EDADMP COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCO1 ZINC000420958791 446929480 /nfs/dbraw/zinc/92/94/80/446929480.db2.gz FHWHQKDDIRFQGS-RTBURBONSA-N 2 1 334.460 1.802 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)C1=CC[NH+](C)CC1 ZINC000371587993 446935224 /nfs/dbraw/zinc/93/52/24/446935224.db2.gz ITMJWUKYFQPJPY-DKIMLUQUSA-N 2 1 332.492 1.763 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)C1=CC[N@H+](C)CC1 ZINC000371587993 446935228 /nfs/dbraw/zinc/93/52/28/446935228.db2.gz ITMJWUKYFQPJPY-DKIMLUQUSA-N 2 1 332.492 1.763 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)C1=CC[N@@H+](C)CC1 ZINC000371587993 446935234 /nfs/dbraw/zinc/93/52/34/446935234.db2.gz ITMJWUKYFQPJPY-DKIMLUQUSA-N 2 1 332.492 1.763 20 0 EDADMP C[N@@H+]1CC[C@@H]2OCCN(Cc3cccc(C[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000420969382 446939528 /nfs/dbraw/zinc/93/95/28/446939528.db2.gz YBJKQIOLGWQRBH-UXHICEINSA-N 2 1 345.487 1.424 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(Cc3cccc(C[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000420969382 446939534 /nfs/dbraw/zinc/93/95/34/446939534.db2.gz YBJKQIOLGWQRBH-UXHICEINSA-N 2 1 345.487 1.424 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)C(=O)NCC(C)C)CC2)CC1 ZINC000420979303 446951505 /nfs/dbraw/zinc/95/15/05/446951505.db2.gz KJBCKHREYJGPCK-QGZVFWFLSA-N 2 1 338.540 1.639 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)C(=O)NCC(C)C)CC2)CC1 ZINC000420979303 446951511 /nfs/dbraw/zinc/95/15/11/446951511.db2.gz KJBCKHREYJGPCK-QGZVFWFLSA-N 2 1 338.540 1.639 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000442767185 446960236 /nfs/dbraw/zinc/96/02/36/446960236.db2.gz YAOCDWKITMHGTP-GDBMZVCRSA-N 2 1 336.505 1.061 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000442767185 446960244 /nfs/dbraw/zinc/96/02/44/446960244.db2.gz YAOCDWKITMHGTP-GDBMZVCRSA-N 2 1 336.505 1.061 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419173348 446989357 /nfs/dbraw/zinc/98/93/57/446989357.db2.gz SKLXGSDFYSITQT-CVEARBPZSA-N 2 1 338.496 1.016 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)CC2)C1 ZINC000372098757 447000986 /nfs/dbraw/zinc/00/09/86/447000986.db2.gz NCOZNFWADOKHCY-XDNAFOTISA-N 2 1 334.508 1.146 20 0 EDADMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000372368917 447050196 /nfs/dbraw/zinc/05/01/96/447050196.db2.gz LKEGNDLLLXHFTQ-SFHVURJKSA-N 2 1 345.487 1.933 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](CC)C2)[C@H](C)C1 ZINC000413300670 447124539 /nfs/dbraw/zinc/12/45/39/447124539.db2.gz VOJOWTLGULMHFY-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](CC)C2)[C@H](C)C1 ZINC000413300670 447124544 /nfs/dbraw/zinc/12/45/44/447124544.db2.gz VOJOWTLGULMHFY-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CC)C2)[C@H](C)C1 ZINC000413300670 447124547 /nfs/dbraw/zinc/12/45/47/447124547.db2.gz VOJOWTLGULMHFY-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP CC[C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)[N@H+]1CCc2ccccc2C1 ZINC000444187715 447091545 /nfs/dbraw/zinc/09/15/45/447091545.db2.gz SNLGJCFGIITIDH-QWFCFKBJSA-N 2 1 327.472 1.939 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000419327333 447094457 /nfs/dbraw/zinc/09/44/57/447094457.db2.gz ZLYCVEOTYRZKSD-HEHGZKQESA-N 2 1 344.459 1.064 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[NH+]2CC(C)(C(=O)OC)C2)CC1 ZINC000425374702 447129645 /nfs/dbraw/zinc/12/96/45/447129645.db2.gz QQIDTIGUAOLWRQ-UHFFFAOYSA-N 2 1 331.460 1.823 20 0 EDADMP Cc1nn(C)c(Cl)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000372607098 447178585 /nfs/dbraw/zinc/17/85/85/447178585.db2.gz JISHRWODMQVXFM-UHFFFAOYSA-N 2 1 326.872 1.926 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccnn2CC[NH+](C)C)C[C@H]1C ZINC000455656706 447198527 /nfs/dbraw/zinc/19/85/27/447198527.db2.gz KXVAZTAFJIBOCO-CABCVRRESA-N 2 1 336.484 1.781 20 0 EDADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000377565612 447209624 /nfs/dbraw/zinc/20/96/24/447209624.db2.gz SZQSVXLZUMKJTD-KSZLIROESA-N 3 1 332.492 1.984 20 0 EDADMP C[NH+](C)CCOc1cnccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000377565612 447209627 /nfs/dbraw/zinc/20/96/27/447209627.db2.gz SZQSVXLZUMKJTD-KSZLIROESA-N 2 1 332.492 1.984 20 0 EDADMP C[NH+](C)CCOc1cnccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000377565612 447209629 /nfs/dbraw/zinc/20/96/29/447209629.db2.gz SZQSVXLZUMKJTD-KSZLIROESA-N 2 1 332.492 1.984 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419486328 447216425 /nfs/dbraw/zinc/21/64/25/447216425.db2.gz XFNRWQLPLKGPQM-HZPDHXFCSA-N 2 1 338.496 1.016 20 0 EDADMP C[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)[C@@H](C)C[N@H+]1CCO ZINC000419527081 447242415 /nfs/dbraw/zinc/24/24/15/447242415.db2.gz UUVOFCVLBQQFNB-SJORKVTESA-N 2 1 340.512 1.349 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000426794602 447502197 /nfs/dbraw/zinc/50/21/97/447502197.db2.gz SFICZQAZVSJKAN-LBPRGKRZSA-N 2 1 332.452 1.493 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000426794602 447502201 /nfs/dbraw/zinc/50/22/01/447502201.db2.gz SFICZQAZVSJKAN-LBPRGKRZSA-N 2 1 332.452 1.493 20 0 EDADMP O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390847580 447502735 /nfs/dbraw/zinc/50/27/35/447502735.db2.gz BYWFXUOHJVZWBV-ROUUACIJSA-N 2 1 331.460 1.536 20 0 EDADMP COC(=O)C1(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000450782279 447574493 /nfs/dbraw/zinc/57/44/93/447574493.db2.gz WVEMCVVDOBLCMZ-LJQANCHMSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)C1(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000450782279 447574497 /nfs/dbraw/zinc/57/44/97/447574497.db2.gz WVEMCVVDOBLCMZ-LJQANCHMSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)C1(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000450782279 447574505 /nfs/dbraw/zinc/57/45/05/447574505.db2.gz WVEMCVVDOBLCMZ-LJQANCHMSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)C1(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450782279 447574508 /nfs/dbraw/zinc/57/45/08/447574508.db2.gz WVEMCVVDOBLCMZ-LJQANCHMSA-N 2 1 332.444 1.508 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccco1 ZINC000457429714 447579181 /nfs/dbraw/zinc/57/91/81/447579181.db2.gz ABNJXBBGJFMQJW-HUUCEWRRSA-N 2 1 338.452 1.028 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)c1ccco1 ZINC000457429714 447579185 /nfs/dbraw/zinc/57/91/85/447579185.db2.gz ABNJXBBGJFMQJW-HUUCEWRRSA-N 2 1 338.452 1.028 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC[N@H+]1C ZINC000394408740 447537352 /nfs/dbraw/zinc/53/73/52/447537352.db2.gz MQNKLJDKDHGHGJ-BZUAXINKSA-N 2 1 340.512 1.610 20 0 EDADMP CCOC(=O)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000397980872 447554007 /nfs/dbraw/zinc/55/40/07/447554007.db2.gz XDALJDQYXRMCPX-NJAFHUGGSA-N 2 1 334.460 1.801 20 0 EDADMP CCOC(=O)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000397980878 447554350 /nfs/dbraw/zinc/55/43/50/447554350.db2.gz XDALJDQYXRMCPX-SZMVWBNQSA-N 2 1 334.460 1.801 20 0 EDADMP C[C@@H]1NC(=O)N(CC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000459349724 447643056 /nfs/dbraw/zinc/64/30/56/447643056.db2.gz FPRCUROPUBUIBM-RDJZCZTQSA-N 2 1 344.459 1.381 20 0 EDADMP C[C@@H]1NC(=O)N(CC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000459349724 447643063 /nfs/dbraw/zinc/64/30/63/447643063.db2.gz FPRCUROPUBUIBM-RDJZCZTQSA-N 2 1 344.459 1.381 20 0 EDADMP C[C@@H]1NC(=O)N(CC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000459349724 447643066 /nfs/dbraw/zinc/64/30/66/447643066.db2.gz FPRCUROPUBUIBM-RDJZCZTQSA-N 2 1 344.459 1.381 20 0 EDADMP C[C@@H]1NC(=O)N(CC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000459349724 447643072 /nfs/dbraw/zinc/64/30/72/447643072.db2.gz FPRCUROPUBUIBM-RDJZCZTQSA-N 2 1 344.459 1.381 20 0 EDADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCC[NH3+])c2c1C ZINC000420114240 447610742 /nfs/dbraw/zinc/61/07/42/447610742.db2.gz JDMYZFHFLNAIPP-UHFFFAOYSA-N 2 1 337.449 1.609 20 0 EDADMP C[NH2+]C[C@H]1CCCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)C1 ZINC000420128026 447621205 /nfs/dbraw/zinc/62/12/05/447621205.db2.gz SRVPKEMMVLGDMM-LLVKDONJSA-N 2 1 331.420 1.665 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCC1=CC[NH2+]CC1)[NH+](C)C ZINC000416828277 447693780 /nfs/dbraw/zinc/69/37/80/447693780.db2.gz DNXCDZKAFGOKFC-MRXNPFEDSA-N 2 1 332.448 1.517 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416838990 447694882 /nfs/dbraw/zinc/69/48/82/447694882.db2.gz JRISERLKFPXCBZ-KURKYZTESA-N 2 1 328.460 1.654 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C[C@@H](C)O1 ZINC000416917295 447709120 /nfs/dbraw/zinc/70/91/20/447709120.db2.gz IVRBPWDCRGCVCS-YJNKXOJESA-N 2 1 326.485 1.253 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000416869401 447699127 /nfs/dbraw/zinc/69/91/27/447699127.db2.gz NGSGKAPENYHIGT-CVEARBPZSA-N 2 1 326.485 1.175 20 0 EDADMP CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N(C)CC(C)(C)C[NH3+])n1 ZINC000420202524 447668230 /nfs/dbraw/zinc/66/82/30/447668230.db2.gz JKRXSNULZQUMDQ-GOEBONIOSA-N 2 1 335.496 2.513 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000457932420 447677550 /nfs/dbraw/zinc/67/75/50/447677550.db2.gz MASHMLLAJAIRSU-IKGGRYGDSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000457932420 447677555 /nfs/dbraw/zinc/67/75/55/447677555.db2.gz MASHMLLAJAIRSU-IKGGRYGDSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457932420 447677558 /nfs/dbraw/zinc/67/75/58/447677558.db2.gz MASHMLLAJAIRSU-IKGGRYGDSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCCCN(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000422632324 447678669 /nfs/dbraw/zinc/67/86/69/447678669.db2.gz GQTXNDMBKXZTOK-KURKYZTESA-N 2 1 346.519 1.934 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCCCN(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000422632324 447678677 /nfs/dbraw/zinc/67/86/77/447678677.db2.gz GQTXNDMBKXZTOK-KURKYZTESA-N 2 1 346.519 1.934 20 0 EDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422707829 447722888 /nfs/dbraw/zinc/72/28/88/447722888.db2.gz HXVZZJWSKUTTBY-KSSFIOAISA-N 2 1 331.460 1.474 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422715825 447725419 /nfs/dbraw/zinc/72/54/19/447725419.db2.gz MTTNYHKFQZQWFS-QZTJIDSGSA-N 2 1 346.523 1.486 20 0 EDADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)C2)cc1 ZINC000422714740 447725486 /nfs/dbraw/zinc/72/54/86/447725486.db2.gz LKTVEVJDEAWHFE-NRSPTQNISA-N 2 1 343.515 1.908 20 0 EDADMP c1ccc(CC[N@@H+]2CC[C@H](CN[C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422714740 447725489 /nfs/dbraw/zinc/72/54/89/447725489.db2.gz LKTVEVJDEAWHFE-NRSPTQNISA-N 2 1 343.515 1.908 20 0 EDADMP c1ccc(CC[N@H+]2CC[C@H](CN[C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422714740 447725491 /nfs/dbraw/zinc/72/54/91/447725491.db2.gz LKTVEVJDEAWHFE-NRSPTQNISA-N 2 1 343.515 1.908 20 0 EDADMP CCN(CCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)S(C)(=O)=O ZINC000422722201 447728619 /nfs/dbraw/zinc/72/86/19/447728619.db2.gz XDIDUASXMREZTO-IRXDYDNUSA-N 2 1 339.505 1.741 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422740526 447735243 /nfs/dbraw/zinc/73/52/43/447735243.db2.gz MWNYATPXYPOXOP-BRSBDYLESA-N 2 1 336.524 1.474 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422740526 447735246 /nfs/dbraw/zinc/73/52/46/447735246.db2.gz MWNYATPXYPOXOP-BRSBDYLESA-N 3 1 336.524 1.474 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422740526 447735251 /nfs/dbraw/zinc/73/52/51/447735251.db2.gz MWNYATPXYPOXOP-BRSBDYLESA-N 3 1 336.524 1.474 20 0 EDADMP C[C@@H]([NH3+])CCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000417272967 447740733 /nfs/dbraw/zinc/74/07/33/447740733.db2.gz VZJDCWGBKPCERR-CABCVRRESA-N 2 1 334.464 1.444 20 0 EDADMP C[C@@H]([NH3+])CCNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000417272967 447740738 /nfs/dbraw/zinc/74/07/38/447740738.db2.gz VZJDCWGBKPCERR-CABCVRRESA-N 2 1 334.464 1.444 20 0 EDADMP Cc1cccc(N2CCC([NH2+][C@H](C3CC3)[C@H]3CNCCO3)CC2)[nH+]1 ZINC000422757824 447741732 /nfs/dbraw/zinc/74/17/32/447741732.db2.gz JBGVLIANWHCEML-IEBWSBKVSA-N 2 1 330.476 1.715 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000458226016 447749419 /nfs/dbraw/zinc/74/94/19/447749419.db2.gz BYJUPDHWMFBRFI-KRWDZBQOSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459715211 447749401 /nfs/dbraw/zinc/74/94/01/447749401.db2.gz PAIBXXXOIIZIGK-CGTJXYLNSA-N 2 1 329.448 1.139 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422930096 447774775 /nfs/dbraw/zinc/77/47/75/447774775.db2.gz SDLWSTIZNAYOMR-CYBMUJFWSA-N 2 1 325.478 1.415 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1CCN(C(=O)OC(C)(C)C)C1=O ZINC000496419612 447775812 /nfs/dbraw/zinc/77/58/12/447775812.db2.gz YFNORVUQAMREBJ-UHFFFAOYSA-N 2 1 340.468 1.890 20 0 EDADMP COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430578926 447781346 /nfs/dbraw/zinc/78/13/46/447781346.db2.gz PSAUDXROCQKCBM-CQSZACIVSA-N 2 1 335.448 1.852 20 0 EDADMP Cc1c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nnn1C1CC[NH2+]CC1 ZINC000430791605 447785652 /nfs/dbraw/zinc/78/56/52/447785652.db2.gz NLFRZIUZVZVHOB-VHRNVKJDSA-N 2 1 346.479 1.256 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@](C)(O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000496511941 447799715 /nfs/dbraw/zinc/79/97/15/447799715.db2.gz JCNPKQDJQPXZFI-CRAIPNDOSA-N 2 1 341.496 1.680 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@](C)(O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000496511941 447799720 /nfs/dbraw/zinc/79/97/20/447799720.db2.gz JCNPKQDJQPXZFI-CRAIPNDOSA-N 2 1 341.496 1.680 20 0 EDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470816986 447804152 /nfs/dbraw/zinc/80/41/52/447804152.db2.gz MSZQHYXMTBTJJI-BBWFWOEESA-N 2 1 335.471 1.805 20 0 EDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470816986 447804156 /nfs/dbraw/zinc/80/41/56/447804156.db2.gz MSZQHYXMTBTJJI-BBWFWOEESA-N 2 1 335.471 1.805 20 0 EDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470816986 447804158 /nfs/dbraw/zinc/80/41/58/447804158.db2.gz MSZQHYXMTBTJJI-BBWFWOEESA-N 2 1 335.471 1.805 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000487574395 447834392 /nfs/dbraw/zinc/83/43/92/447834392.db2.gz MYAYCMLUSQDMBF-INIZCTEOSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@@H](NC(=O)NC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569695065 447869836 /nfs/dbraw/zinc/86/98/36/447869836.db2.gz BUGGECAQRZIRRM-CRAIPNDOSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@@H](NC(=O)NC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569695065 447869838 /nfs/dbraw/zinc/86/98/38/447869838.db2.gz BUGGECAQRZIRRM-CRAIPNDOSA-N 2 1 346.475 1.327 20 0 EDADMP O=C(C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000575980099 447941945 /nfs/dbraw/zinc/94/19/45/447941945.db2.gz PRHMRNGRECFKJU-LJQANCHMSA-N 2 1 327.403 1.937 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)N3CCC[C@H]3C)C2)CC1 ZINC000524750643 447948598 /nfs/dbraw/zinc/94/85/98/447948598.db2.gz DSSSWHRFBTTWGR-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000524786079 447954022 /nfs/dbraw/zinc/95/40/22/447954022.db2.gz CXWUSZMNULUTPB-DLBZAZTESA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000524786079 447954028 /nfs/dbraw/zinc/95/40/28/447954028.db2.gz CXWUSZMNULUTPB-DLBZAZTESA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000524786079 447954031 /nfs/dbraw/zinc/95/40/31/447954031.db2.gz CXWUSZMNULUTPB-DLBZAZTESA-N 2 1 339.528 1.138 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000524954786 447961126 /nfs/dbraw/zinc/96/11/26/447961126.db2.gz LWXWXIVUHWHSTP-QXAKKESOSA-N 2 1 347.503 1.978 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000524954786 447961132 /nfs/dbraw/zinc/96/11/32/447961132.db2.gz LWXWXIVUHWHSTP-QXAKKESOSA-N 2 1 347.503 1.978 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@@H]1C[NH2+]CCCO1 ZINC000569947507 447925879 /nfs/dbraw/zinc/92/58/79/447925879.db2.gz TUZXLLBBDKKYPH-MSOLQXFVSA-N 2 1 346.475 1.186 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@H]1C[NH2+]CCCO1 ZINC000569947710 447926040 /nfs/dbraw/zinc/92/60/40/447926040.db2.gz TUZXLLBBDKKYPH-ZWKOTPCHSA-N 2 1 346.475 1.186 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](O)C(C)(C)C3)CC2)CC1 ZINC000575934886 447933089 /nfs/dbraw/zinc/93/30/89/447933089.db2.gz ZUYBPABWPYCRGM-QGZVFWFLSA-N 2 1 337.508 1.412 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCOc3cccc4ccccc43)CCN2C1=O ZINC000575936178 447933624 /nfs/dbraw/zinc/93/36/24/447933624.db2.gz NIXWFNNOIOCWCD-WBVHZDCISA-N 2 1 325.412 1.462 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCOc3cccc4ccccc43)CCN2C1=O ZINC000575936178 447933630 /nfs/dbraw/zinc/93/36/30/447933630.db2.gz NIXWFNNOIOCWCD-WBVHZDCISA-N 2 1 325.412 1.462 20 0 EDADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)n2c1 ZINC000570026568 447935034 /nfs/dbraw/zinc/93/50/34/447935034.db2.gz GVRWQCNWAZOLDB-HNNXBMFYSA-N 2 1 325.420 1.530 20 0 EDADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)n2c1 ZINC000570026568 447935039 /nfs/dbraw/zinc/93/50/39/447935039.db2.gz GVRWQCNWAZOLDB-HNNXBMFYSA-N 2 1 325.420 1.530 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000530678259 447938931 /nfs/dbraw/zinc/93/89/31/447938931.db2.gz BAPMOLHYKUEIQP-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000576196043 447996072 /nfs/dbraw/zinc/99/60/72/447996072.db2.gz LWAWITWRJXRKKE-QRVBRYPASA-N 2 1 349.519 1.745 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000531007223 447999737 /nfs/dbraw/zinc/99/97/37/447999737.db2.gz FAYHHSMZMZUENR-INIZCTEOSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H]1[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCC[N@H+]1C ZINC000491375373 448007440 /nfs/dbraw/zinc/00/74/40/448007440.db2.gz NZYZNMQMQLAWFP-ZFWWWQNUSA-N 2 1 334.468 1.754 20 0 EDADMP Cc1ncc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1C ZINC000570410317 448007489 /nfs/dbraw/zinc/00/74/89/448007489.db2.gz HDYWRJSCRPFWHO-GOSISDBHSA-N 3 1 328.460 1.975 20 0 EDADMP Cc1ncc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1C ZINC000570410317 448007493 /nfs/dbraw/zinc/00/74/93/448007493.db2.gz HDYWRJSCRPFWHO-GOSISDBHSA-N 3 1 328.460 1.975 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000525813430 448031629 /nfs/dbraw/zinc/03/16/29/448031629.db2.gz NDBCAXUCIQLMAP-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000525813430 448031633 /nfs/dbraw/zinc/03/16/33/448031633.db2.gz NDBCAXUCIQLMAP-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000525813430 448031636 /nfs/dbraw/zinc/03/16/36/448031636.db2.gz NDBCAXUCIQLMAP-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000576492909 448068942 /nfs/dbraw/zinc/06/89/42/448068942.db2.gz TUNGIOSYUAUUQA-UHFFFAOYSA-N 2 1 348.491 1.706 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000555575982 448087296 /nfs/dbraw/zinc/08/72/96/448087296.db2.gz XNZRBXBURSIGAW-UHFFFAOYSA-N 2 1 346.479 1.923 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[N@@H+](C)C1 ZINC000501742045 448096590 /nfs/dbraw/zinc/09/65/90/448096590.db2.gz AAMWXXATCONZFM-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000576611664 448097244 /nfs/dbraw/zinc/09/72/44/448097244.db2.gz WYBCEFQGENFJKO-QAPCUYQASA-N 2 1 330.476 1.905 20 0 EDADMP CCC[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC[N@H+]1CCOC ZINC000571051044 448099804 /nfs/dbraw/zinc/09/98/04/448099804.db2.gz WMNNXLQZNJMSCP-LSDHHAIUSA-N 2 1 349.479 1.060 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000511901172 448155131 /nfs/dbraw/zinc/15/51/31/448155131.db2.gz MYYLBIZGHSNVKU-ULQDDVLXSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000511901172 448155134 /nfs/dbraw/zinc/15/51/34/448155134.db2.gz MYYLBIZGHSNVKU-ULQDDVLXSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000512433347 448155682 /nfs/dbraw/zinc/15/56/82/448155682.db2.gz YQJUQYOSMCELBM-JJXSEGSLSA-N 2 1 326.485 1.220 20 0 EDADMP C[NH+](C)C/C=C\C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000491903850 448148790 /nfs/dbraw/zinc/14/87/90/448148790.db2.gz IKLOBMXNUCYTKW-YFHOEESVSA-N 2 1 344.503 1.380 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000577347238 448270257 /nfs/dbraw/zinc/27/02/57/448270257.db2.gz IOYSQUCCZBCTBE-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000532537738 448270380 /nfs/dbraw/zinc/27/03/80/448270380.db2.gz DCLCSDOLDGQVLK-ZDUSSCGKSA-N 2 1 335.500 1.633 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000532537738 448270387 /nfs/dbraw/zinc/27/03/87/448270387.db2.gz DCLCSDOLDGQVLK-ZDUSSCGKSA-N 2 1 335.500 1.633 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)O1 ZINC000527552180 448274569 /nfs/dbraw/zinc/27/45/69/448274569.db2.gz UBFHCLWBGCZZCE-KBAYOESNSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)O1 ZINC000527552180 448274572 /nfs/dbraw/zinc/27/45/72/448274572.db2.gz UBFHCLWBGCZZCE-KBAYOESNSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000527552180 448274578 /nfs/dbraw/zinc/27/45/78/448274578.db2.gz UBFHCLWBGCZZCE-KBAYOESNSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000527552180 448274581 /nfs/dbraw/zinc/27/45/81/448274581.db2.gz UBFHCLWBGCZZCE-KBAYOESNSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000515143222 448265163 /nfs/dbraw/zinc/26/51/63/448265163.db2.gz SFDQFTYGBCUWIN-UKRRQHHQSA-N 2 1 340.418 1.803 20 0 EDADMP Cc1[nH+]c2cc(NC[C@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)ccc2n1C ZINC000572029208 448266585 /nfs/dbraw/zinc/26/65/85/448266585.db2.gz GYDCLQDZBGTVPR-IOASZLSFSA-N 2 1 332.448 1.764 20 0 EDADMP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@H]1CCC[NH2+]C1 ZINC000515655508 448340274 /nfs/dbraw/zinc/34/02/74/448340274.db2.gz JZKAMYASIPHZAK-HOTGVXAUSA-N 3 1 345.491 1.798 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)CC[NH2+]C2CC2)CC1)Cc1ccccc1 ZINC000516193297 448396405 /nfs/dbraw/zinc/39/64/05/448396405.db2.gz JJUOCXKPZSJAMG-UHFFFAOYSA-N 2 1 344.503 1.405 20 0 EDADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC000577870647 448409732 /nfs/dbraw/zinc/40/97/32/448409732.db2.gz NIZCOKIRUDVQEG-MOPGFXCFSA-N 2 1 336.476 1.247 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCc3cnc(C)n3C2)CC1 ZINC000583089505 448423268 /nfs/dbraw/zinc/42/32/68/448423268.db2.gz SDTLGJPGLYNMJQ-OAHLLOKOSA-N 2 1 334.464 1.323 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)CC2 ZINC000578075294 448455772 /nfs/dbraw/zinc/45/57/72/448455772.db2.gz VLLAIRAKQHTGOO-NZSAHSFTSA-N 2 1 338.455 1.968 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)CC2 ZINC000578075294 448455776 /nfs/dbraw/zinc/45/57/76/448455776.db2.gz VLLAIRAKQHTGOO-NZSAHSFTSA-N 2 1 338.455 1.968 20 0 EDADMP CC(C)[NH2+]CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000578084334 448458469 /nfs/dbraw/zinc/45/84/69/448458469.db2.gz WMLDCINYOQHTSR-KRWDZBQOSA-N 2 1 346.475 1.789 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000584399595 448511120 /nfs/dbraw/zinc/51/11/20/448511120.db2.gz YERGSSWYHJTJGB-RBUKOAKNSA-N 2 1 342.487 1.732 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000516973654 448513504 /nfs/dbraw/zinc/51/35/04/448513504.db2.gz WLBHIEAKCALRCK-IPMKNSEASA-N 2 1 345.487 1.734 20 0 EDADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000566797163 448561719 /nfs/dbraw/zinc/56/17/19/448561719.db2.gz GXBMHFJILAVRPZ-QZTJIDSGSA-N 2 1 336.476 1.417 20 0 EDADMP C[C@H](Cn1cc(Br)ccc1=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000517326937 448571655 /nfs/dbraw/zinc/57/16/55/448571655.db2.gz YHTZXWURJUJUHE-QWHCGFSZSA-N 2 1 342.281 1.931 20 0 EDADMP C[C@H](Cn1cc(Br)ccc1=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000517326937 448571662 /nfs/dbraw/zinc/57/16/62/448571662.db2.gz YHTZXWURJUJUHE-QWHCGFSZSA-N 2 1 342.281 1.931 20 0 EDADMP c1c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nnn1Cc1cccnc1 ZINC000573120309 448549404 /nfs/dbraw/zinc/54/94/04/448549404.db2.gz LVHMZSBSDNAOKA-DLBZAZTESA-N 2 1 326.448 1.543 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000517793303 448619508 /nfs/dbraw/zinc/61/95/08/448619508.db2.gz GKRNNPMIJKBHFN-FHWLQOOXSA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000517793303 448619511 /nfs/dbraw/zinc/61/95/11/448619511.db2.gz GKRNNPMIJKBHFN-FHWLQOOXSA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000517793303 448619517 /nfs/dbraw/zinc/61/95/17/448619517.db2.gz GKRNNPMIJKBHFN-FHWLQOOXSA-N 2 1 327.472 1.919 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000573305395 448592144 /nfs/dbraw/zinc/59/21/44/448592144.db2.gz YTOXMFKEWDCJJO-YJBOKZPZSA-N 2 1 347.459 1.160 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000573305395 448592147 /nfs/dbraw/zinc/59/21/47/448592147.db2.gz YTOXMFKEWDCJJO-YJBOKZPZSA-N 2 1 347.459 1.160 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000578633436 448598588 /nfs/dbraw/zinc/59/85/88/448598588.db2.gz ONLXYQZXZAVQPW-HNNXBMFYSA-N 2 1 334.464 1.371 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000584828644 448646149 /nfs/dbraw/zinc/64/61/49/448646149.db2.gz KQTYNIIQFYCLER-BBWFWOEESA-N 2 1 338.496 1.399 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000567268559 448655269 /nfs/dbraw/zinc/65/52/69/448655269.db2.gz GPYIEVGLGYWJIT-IAGOWNOFSA-N 2 1 330.476 1.798 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)c2cn(CC[NH3+])nn2)[C@@H]1c1cccs1 ZINC000579025438 448698836 /nfs/dbraw/zinc/69/88/36/448698836.db2.gz CNOHWULMRADSGC-SWLSCSKDSA-N 2 1 348.476 1.111 20 0 EDADMP COC(=O)[C@@H]1C[NH+]([C@@H](C)CC[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129622 448699571 /nfs/dbraw/zinc/69/95/71/448699571.db2.gz KUDHTKODIRJLAV-IBEHDNSVSA-N 2 1 340.464 1.247 20 0 EDADMP COC(=O)[C@@H]1C[NH+](CC[C@H](C)[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129622 448699575 /nfs/dbraw/zinc/69/95/75/448699575.db2.gz KUDHTKODIRJLAV-IBEHDNSVSA-N 2 1 340.464 1.247 20 0 EDADMP COC(=O)[C@@H]1C[NH+](CC[C@H](C)[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129622 448699578 /nfs/dbraw/zinc/69/95/78/448699578.db2.gz KUDHTKODIRJLAV-IBEHDNSVSA-N 2 1 340.464 1.247 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000578969120 448680213 /nfs/dbraw/zinc/68/02/13/448680213.db2.gz GFHKSYPLQMQCNL-NZSAHSFTSA-N 2 1 342.487 1.732 20 0 EDADMP COC1(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)CC[NH2+]CC1 ZINC000567392118 448684649 /nfs/dbraw/zinc/68/46/49/448684649.db2.gz FLTCOPJXNTXLQV-UHFFFAOYSA-N 2 1 346.475 1.141 20 0 EDADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000545300791 448786869 /nfs/dbraw/zinc/78/68/69/448786869.db2.gz ZUUDRQJSMXNUIG-LSDHHAIUSA-N 2 1 329.444 1.993 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]2(C)CO)CC1 ZINC000545396503 448794557 /nfs/dbraw/zinc/79/45/57/448794557.db2.gz QAAQFTTVILPPFE-PXNSSMCTSA-N 2 1 345.487 1.739 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]2(C)CO)CC1 ZINC000545396503 448794562 /nfs/dbraw/zinc/79/45/62/448794562.db2.gz QAAQFTTVILPPFE-PXNSSMCTSA-N 2 1 345.487 1.739 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000574218140 448821036 /nfs/dbraw/zinc/82/10/36/448821036.db2.gz YWKAFSGCBAWPQV-UHFFFAOYSA-N 2 1 347.438 1.446 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000568191474 448832365 /nfs/dbraw/zinc/83/23/65/448832365.db2.gz JALRMPYWCIURQH-HOTGVXAUSA-N 2 1 341.521 1.041 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000519830837 448855264 /nfs/dbraw/zinc/85/52/64/448855264.db2.gz YECUBWIMDKEXHL-UHFFFAOYSA-N 2 1 332.492 1.335 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)C2([NH3+])CCC2)CC1)Cc1ccccc1 ZINC000574450389 448877284 /nfs/dbraw/zinc/87/72/84/448877284.db2.gz QMXIRAHEVYIWRM-UHFFFAOYSA-N 2 1 330.476 1.144 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000547733841 448922062 /nfs/dbraw/zinc/92/20/62/448922062.db2.gz VTLLCMKEYIPSHE-UHFFFAOYSA-N 2 1 325.497 1.822 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000547733841 448922065 /nfs/dbraw/zinc/92/20/65/448922065.db2.gz VTLLCMKEYIPSHE-UHFFFAOYSA-N 2 1 325.497 1.822 20 0 EDADMP O=S(=O)(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1F ZINC000568618581 448894740 /nfs/dbraw/zinc/89/47/40/448894740.db2.gz MLLBZYISXJBVEM-FUNVUKJBSA-N 2 1 345.415 1.116 20 0 EDADMP COC(=O)c1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c[nH]1 ZINC000589195937 448986568 /nfs/dbraw/zinc/98/65/68/448986568.db2.gz OZBBCRHDDMTKRG-MRXNPFEDSA-N 2 1 334.464 1.402 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c[nH]1 ZINC000589195937 448986574 /nfs/dbraw/zinc/98/65/74/448986574.db2.gz OZBBCRHDDMTKRG-MRXNPFEDSA-N 2 1 334.464 1.402 20 0 EDADMP CC(C)OCC[NH+]1CCC([NH2+]CCC(=O)Nc2cccnc2)CC1 ZINC000521227571 448965078 /nfs/dbraw/zinc/96/50/78/448965078.db2.gz REZDGKPDEKLTNH-UHFFFAOYSA-N 2 1 334.464 1.889 20 0 EDADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000569122980 448967103 /nfs/dbraw/zinc/96/71/03/448967103.db2.gz RETGCHXYCAJQCT-ZWKOTPCHSA-N 2 1 336.476 1.425 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000574854252 448969578 /nfs/dbraw/zinc/96/95/78/448969578.db2.gz DIAFJZRVIGNIPZ-QGZVFWFLSA-N 2 1 345.447 1.490 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)Cn2cnc3c2CCCC3)CC1 ZINC000548377311 449035115 /nfs/dbraw/zinc/03/51/15/449035115.db2.gz IWGBNVSTBYVVML-CQSZACIVSA-N 2 1 334.464 1.066 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000548377311 449035117 /nfs/dbraw/zinc/03/51/17/449035117.db2.gz IWGBNVSTBYVVML-CQSZACIVSA-N 2 1 334.464 1.066 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000548377311 449035119 /nfs/dbraw/zinc/03/51/19/449035119.db2.gz IWGBNVSTBYVVML-CQSZACIVSA-N 2 1 334.464 1.066 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000582122495 449017855 /nfs/dbraw/zinc/01/78/55/449017855.db2.gz PZMJIGQLULSWHS-SJORKVTESA-N 2 1 342.867 1.264 20 0 EDADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000522059891 449047670 /nfs/dbraw/zinc/04/76/70/449047670.db2.gz BMAZZAPWZYCERY-ICSRJNTNSA-N 2 1 344.503 1.832 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592962082 449084719 /nfs/dbraw/zinc/08/47/19/449084719.db2.gz VZGZYPBQEVAPSL-GJZGRUSLSA-N 2 1 342.447 1.529 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1c[nH]c2ncccc12 ZINC000522190481 449061305 /nfs/dbraw/zinc/06/13/05/449061305.db2.gz VODUTLXDAMSCFK-UHFFFAOYSA-N 2 1 329.448 1.661 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c2ncccc12 ZINC000522190481 449061311 /nfs/dbraw/zinc/06/13/11/449061311.db2.gz VODUTLXDAMSCFK-UHFFFAOYSA-N 2 1 329.448 1.661 20 0 EDADMP O=C(NCC[NH+]1CCCCC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000522256689 449067977 /nfs/dbraw/zinc/06/79/77/449067977.db2.gz WQRQNLVRTAEJQN-IBGZPJMESA-N 2 1 331.460 1.226 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC(N)=O)cc2)[C@H](C)C1 ZINC000604418252 449227071 /nfs/dbraw/zinc/22/70/71/449227071.db2.gz NMCIIYQAXZHBAA-VQIMIIECSA-N 2 1 347.503 1.941 20 0 EDADMP COC(=O)CC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000601956635 449244234 /nfs/dbraw/zinc/24/42/34/449244234.db2.gz SGFZDGHUBSAYRT-FQEVSTJZSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)CC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000601956635 449244238 /nfs/dbraw/zinc/24/42/38/449244238.db2.gz SGFZDGHUBSAYRT-FQEVSTJZSA-N 2 1 346.471 1.899 20 0 EDADMP CC(C)(C)OC(=O)CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601963790 449249015 /nfs/dbraw/zinc/24/90/15/449249015.db2.gz GPQFGOAWLIVBLG-LJQANCHMSA-N 2 1 334.460 1.945 20 0 EDADMP CC(C)(C)OC(=O)CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601963790 449249017 /nfs/dbraw/zinc/24/90/17/449249017.db2.gz GPQFGOAWLIVBLG-LJQANCHMSA-N 2 1 334.460 1.945 20 0 EDADMP CC(C)[NH2+]C1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000605985798 449433923 /nfs/dbraw/zinc/43/39/23/449433923.db2.gz KTMSTWVUNBULIA-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000614129884 449472820 /nfs/dbraw/zinc/47/28/20/449472820.db2.gz DBZSBRKUHXYJMC-KBPBESRZSA-N 2 1 332.448 1.226 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000614129884 449472822 /nfs/dbraw/zinc/47/28/22/449472822.db2.gz DBZSBRKUHXYJMC-KBPBESRZSA-N 2 1 332.448 1.226 20 0 EDADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000614063913 449437868 /nfs/dbraw/zinc/43/78/68/449437868.db2.gz JHGSSPSHRIGEQL-AZUAARDMSA-N 2 1 345.487 1.424 20 0 EDADMP CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000614335609 449565488 /nfs/dbraw/zinc/56/54/88/449565488.db2.gz QUDIHMMPWGUDIM-QGZVFWFLSA-N 2 1 345.491 1.390 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000614335609 449565495 /nfs/dbraw/zinc/56/54/95/449565495.db2.gz QUDIHMMPWGUDIM-QGZVFWFLSA-N 2 1 345.491 1.390 20 0 EDADMP COC(=O)[C@@H](C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000602445187 449593215 /nfs/dbraw/zinc/59/32/15/449593215.db2.gz UGOTUFXJTLOJCD-CQSZACIVSA-N 2 1 333.432 1.048 20 0 EDADMP CCC(=O)N1CCC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000617504708 449650479 /nfs/dbraw/zinc/65/04/79/449650479.db2.gz GVNDKAWSXRSEMY-HOTGVXAUSA-N 2 1 340.512 1.023 20 0 EDADMP CCC(=O)N1CCC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617504708 449650483 /nfs/dbraw/zinc/65/04/83/449650483.db2.gz GVNDKAWSXRSEMY-HOTGVXAUSA-N 2 1 340.512 1.023 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000617505885 449651823 /nfs/dbraw/zinc/65/18/23/449651823.db2.gz UFGQBIIUOTZIRO-ULQDDVLXSA-N 2 1 327.513 1.970 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000617505885 449651825 /nfs/dbraw/zinc/65/18/25/449651825.db2.gz UFGQBIIUOTZIRO-ULQDDVLXSA-N 2 1 327.513 1.970 20 0 EDADMP Cc1nc2ccnn2c(C)c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506374 449652495 /nfs/dbraw/zinc/65/24/95/449652495.db2.gz LFKUXIFDNXGRKX-ZDUSSCGKSA-N 2 1 346.479 1.348 20 0 EDADMP Cc1nc2ccnn2c(C)c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506374 449652504 /nfs/dbraw/zinc/65/25/04/449652504.db2.gz LFKUXIFDNXGRKX-ZDUSSCGKSA-N 2 1 346.479 1.348 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602581026 449685678 /nfs/dbraw/zinc/68/56/78/449685678.db2.gz GRAFGOOHEDKUGA-PVAVHDDUSA-N 2 1 335.517 1.951 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000594926611 449810872 /nfs/dbraw/zinc/81/08/72/449810872.db2.gz UKJCHWSOCNKWCH-KFKAGJAMSA-N 2 1 345.487 1.721 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000608361785 449817557 /nfs/dbraw/zinc/81/75/57/449817557.db2.gz QRRADVCRXJXRAO-DLBZAZTESA-N 2 1 341.496 1.007 20 0 EDADMP COC(=O)C(C)(C)CC[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000597186037 449861419 /nfs/dbraw/zinc/86/14/19/449861419.db2.gz DLJYLKWZWPTFAH-KRWDZBQOSA-N 2 1 334.460 1.932 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000608648666 449897133 /nfs/dbraw/zinc/89/71/33/449897133.db2.gz YRAWJILRZGCGFE-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612892223 449930517 /nfs/dbraw/zinc/93/05/17/449930517.db2.gz JVZFSNHZCXKADJ-SZVBFZGTSA-N 2 1 330.476 1.948 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@H](Cc2ccccc2)C1 ZINC000612994533 449975701 /nfs/dbraw/zinc/97/57/01/449975701.db2.gz HDXKKBYMCSREHO-QZTJIDSGSA-N 2 1 342.487 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@H](Cc2ccccc2)C1 ZINC000612994533 449975706 /nfs/dbraw/zinc/97/57/06/449975706.db2.gz HDXKKBYMCSREHO-QZTJIDSGSA-N 2 1 342.487 1.697 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601476983 450000431 /nfs/dbraw/zinc/00/04/31/450000431.db2.gz NKEDHMWMDNPQJA-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000601476983 450000436 /nfs/dbraw/zinc/00/04/36/450000436.db2.gz NKEDHMWMDNPQJA-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000601476983 450000441 /nfs/dbraw/zinc/00/04/41/450000441.db2.gz NKEDHMWMDNPQJA-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601476983 450000445 /nfs/dbraw/zinc/00/04/45/450000445.db2.gz NKEDHMWMDNPQJA-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601476983 450000450 /nfs/dbraw/zinc/00/04/50/450000450.db2.gz NKEDHMWMDNPQJA-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C)CC2 ZINC000615266017 450029010 /nfs/dbraw/zinc/02/90/10/450029010.db2.gz KOWWXNUDULZXNY-PVAVHDDUSA-N 2 1 332.448 1.076 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C)CC2 ZINC000615266017 450029018 /nfs/dbraw/zinc/02/90/18/450029018.db2.gz KOWWXNUDULZXNY-PVAVHDDUSA-N 2 1 332.448 1.076 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000618550768 450238835 /nfs/dbraw/zinc/23/88/35/450238835.db2.gz IVKHWLDXKKOZON-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000618560757 450244442 /nfs/dbraw/zinc/24/44/42/450244442.db2.gz MLXHGNYZMMCGRH-QGZVFWFLSA-N 2 1 336.455 1.993 20 0 EDADMP C[C@H]1CN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC[N@@H+]1CCO ZINC000613694394 450271201 /nfs/dbraw/zinc/27/12/01/450271201.db2.gz LZSBUAFXDFKXFO-PKOBYXMFSA-N 2 1 345.487 1.391 20 0 EDADMP C[C@H]1CN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC[N@H+]1CCO ZINC000613694394 450271205 /nfs/dbraw/zinc/27/12/05/450271205.db2.gz LZSBUAFXDFKXFO-PKOBYXMFSA-N 2 1 345.487 1.391 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000619904867 450370114 /nfs/dbraw/zinc/37/01/14/450370114.db2.gz QYPVNIKDVMLHSA-HZPDHXFCSA-N 2 1 325.522 1.804 20 0 EDADMP COc1cc2c(c(CNCCC[N@@H+]3CCC[C@H]3C(N)=O)c1)O[C@H](C)C2 ZINC000623618200 450552166 /nfs/dbraw/zinc/55/21/66/450552166.db2.gz HMNGBIJCFPJLPD-DYVFJYSZSA-N 2 1 347.459 1.448 20 0 EDADMP COc1cc2c(c(CNCCC[N@H+]3CCC[C@H]3C(N)=O)c1)O[C@H](C)C2 ZINC000623618200 450552169 /nfs/dbraw/zinc/55/21/69/450552169.db2.gz HMNGBIJCFPJLPD-DYVFJYSZSA-N 2 1 347.459 1.448 20 0 EDADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000623656482 450561443 /nfs/dbraw/zinc/56/14/43/450561443.db2.gz VHTNBSSRRZDIAF-OAHLLOKOSA-N 2 1 325.478 1.880 20 0 EDADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000623656482 450561445 /nfs/dbraw/zinc/56/14/45/450561445.db2.gz VHTNBSSRRZDIAF-OAHLLOKOSA-N 2 1 325.478 1.880 20 0 EDADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CCSC1 ZINC000621107756 450581456 /nfs/dbraw/zinc/58/14/56/450581456.db2.gz LXQRFLGBULXICT-HZPDHXFCSA-N 2 1 325.522 1.662 20 0 EDADMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCSC1 ZINC000621107756 450581458 /nfs/dbraw/zinc/58/14/58/450581458.db2.gz LXQRFLGBULXICT-HZPDHXFCSA-N 2 1 325.522 1.662 20 0 EDADMP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCSC1 ZINC000621107756 450581459 /nfs/dbraw/zinc/58/14/59/450581459.db2.gz LXQRFLGBULXICT-HZPDHXFCSA-N 2 1 325.522 1.662 20 0 EDADMP C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635069737 450620812 /nfs/dbraw/zinc/62/08/12/450620812.db2.gz QXHUITIMPILUTN-MJGOQNOKSA-N 2 1 331.460 1.203 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627332496 450654396 /nfs/dbraw/zinc/65/43/96/450654396.db2.gz BHTOVMXJJBFLQS-BZUAXINKSA-N 2 1 338.496 1.014 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)NC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000633081831 450668168 /nfs/dbraw/zinc/66/81/68/450668168.db2.gz MJBGCHLVXPTNDI-ROUUACIJSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000633081831 450668174 /nfs/dbraw/zinc/66/81/74/450668174.db2.gz MJBGCHLVXPTNDI-ROUUACIJSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000633081831 450668179 /nfs/dbraw/zinc/66/81/79/450668179.db2.gz MJBGCHLVXPTNDI-ROUUACIJSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1cc(CNC(=O)NC[C@@H]2COCCN2C)cc(N2CCCC2)[nH+]1 ZINC000624085362 450700919 /nfs/dbraw/zinc/70/09/19/450700919.db2.gz PEAHDFTVSXZZIL-MRXNPFEDSA-N 2 1 347.463 1.120 20 0 EDADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000624122190 450715958 /nfs/dbraw/zinc/71/59/58/450715958.db2.gz LYOQAUIXAQYCFP-KGLIPLIRSA-N 2 1 325.478 1.717 20 0 EDADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000624122190 450715961 /nfs/dbraw/zinc/71/59/61/450715961.db2.gz LYOQAUIXAQYCFP-KGLIPLIRSA-N 2 1 325.478 1.717 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000629571689 450743084 /nfs/dbraw/zinc/74/30/84/450743084.db2.gz HIFQZXWCVOBELJ-CYBMUJFWSA-N 2 1 334.420 1.974 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000629571689 450743093 /nfs/dbraw/zinc/74/30/93/450743093.db2.gz HIFQZXWCVOBELJ-CYBMUJFWSA-N 2 1 334.420 1.974 20 0 EDADMP C[N@H+](CCOCC[NH3+])[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629581007 450748113 /nfs/dbraw/zinc/74/81/13/450748113.db2.gz JTXIYVFBEANTMN-CQSZACIVSA-N 2 1 329.803 1.492 20 0 EDADMP C[N@@H+](CCOCC[NH3+])[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629581007 450748121 /nfs/dbraw/zinc/74/81/21/450748121.db2.gz JTXIYVFBEANTMN-CQSZACIVSA-N 2 1 329.803 1.492 20 0 EDADMP C[C@@H]1C[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000631841062 450809569 /nfs/dbraw/zinc/80/95/69/450809569.db2.gz XSHPJGVILHSHHM-ZIAGYGMSSA-N 2 1 326.462 1.386 20 0 EDADMP C[C@@H]1C[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000631841062 450809574 /nfs/dbraw/zinc/80/95/74/450809574.db2.gz XSHPJGVILHSHHM-ZIAGYGMSSA-N 2 1 326.462 1.386 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](CCc3nsc4ccccc43)C2)nn1 ZINC000631844793 450814455 /nfs/dbraw/zinc/81/44/55/450814455.db2.gz MOFFHTOQNMQSFI-CYBMUJFWSA-N 2 1 328.445 1.836 20 0 EDADMP O[C@H](CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COCc1ccccc1 ZINC000624318337 450793109 /nfs/dbraw/zinc/79/31/09/450793109.db2.gz IRNMZUGNJCUCJB-WOJBJXKFSA-N 2 1 348.487 1.797 20 0 EDADMP CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000631829389 450800505 /nfs/dbraw/zinc/80/05/05/450800505.db2.gz PJJRXDHJSKOJEV-JYJNAYRXSA-N 2 1 349.479 1.450 20 0 EDADMP CCCn1nccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000631829389 450800512 /nfs/dbraw/zinc/80/05/12/450800512.db2.gz PJJRXDHJSKOJEV-JYJNAYRXSA-N 2 1 349.479 1.450 20 0 EDADMP CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cn2)CC1 ZINC000635339868 450864211 /nfs/dbraw/zinc/86/42/11/450864211.db2.gz YJDLPSUPVRAUEM-INIZCTEOSA-N 2 1 345.491 1.182 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCc4ccccc4)C3)C[C@H]21 ZINC000627655459 450871288 /nfs/dbraw/zinc/87/12/88/450871288.db2.gz RNFPYVBFFRHGGO-ZRNYENFQSA-N 2 1 341.499 1.960 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CC[C@H](O)C2)cc1 ZINC000629912356 450878471 /nfs/dbraw/zinc/87/84/71/450878471.db2.gz FGNWWVYCIAVYJJ-SFHVURJKSA-N 2 1 333.476 1.715 20 0 EDADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000629912356 450878474 /nfs/dbraw/zinc/87/84/74/450878474.db2.gz FGNWWVYCIAVYJJ-SFHVURJKSA-N 2 1 333.476 1.715 20 0 EDADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC000629912356 450878479 /nfs/dbraw/zinc/87/84/79/450878479.db2.gz FGNWWVYCIAVYJJ-SFHVURJKSA-N 2 1 333.476 1.715 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000632008155 450962720 /nfs/dbraw/zinc/96/27/20/450962720.db2.gz IOYYVPLSMLNCPI-MRXNPFEDSA-N 2 1 335.496 1.543 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)S(=O)(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC000632026766 450979141 /nfs/dbraw/zinc/97/91/41/450979141.db2.gz LWFFAQYZAQJSRT-CVEARBPZSA-N 2 1 331.526 1.464 20 0 EDADMP CCN(CC[NH3+])C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000626921879 451005792 /nfs/dbraw/zinc/00/57/92/451005792.db2.gz LMZYAOJTAWNNRJ-CQSZACIVSA-N 2 1 339.509 1.027 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000633797310 451021700 /nfs/dbraw/zinc/02/17/00/451021700.db2.gz KAJLCNDANCCSTB-NJAFHUGGSA-N 2 1 331.460 1.201 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000633797310 451021705 /nfs/dbraw/zinc/02/17/05/451021705.db2.gz KAJLCNDANCCSTB-NJAFHUGGSA-N 2 1 331.460 1.201 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000633797310 451021710 /nfs/dbraw/zinc/02/17/10/451021710.db2.gz KAJLCNDANCCSTB-NJAFHUGGSA-N 2 1 331.460 1.201 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000633797310 451021714 /nfs/dbraw/zinc/02/17/14/451021714.db2.gz KAJLCNDANCCSTB-NJAFHUGGSA-N 2 1 331.460 1.201 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626947907 451026702 /nfs/dbraw/zinc/02/67/02/451026702.db2.gz JHFZZGXAKYFBME-JZFYCYHFSA-N 2 1 336.524 1.994 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000632127882 451056626 /nfs/dbraw/zinc/05/66/26/451056626.db2.gz KXPYDLJWBJAOPJ-GOEBONIOSA-N 2 1 329.510 1.217 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627022996 451086675 /nfs/dbraw/zinc/08/66/75/451086675.db2.gz GYOURDLPTVGNMS-OKZBNKHCSA-N 2 1 330.476 1.948 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000627038525 451095211 /nfs/dbraw/zinc/09/52/11/451095211.db2.gz JXFHQUUYBZCPSS-NVXWUHKLSA-N 2 1 334.464 1.185 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000635551751 451047857 /nfs/dbraw/zinc/04/78/57/451047857.db2.gz OFFOHMYRTPOSIO-RTBURBONSA-N 2 1 348.535 1.630 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC[N@H+]1C ZINC000632209335 451117840 /nfs/dbraw/zinc/11/78/40/451117840.db2.gz FIKYMLVRZJFLEG-XMTFNYHQSA-N 2 1 336.524 1.201 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NCC3([NH3+])CCOCC3)CC2)c1 ZINC000627156071 451152794 /nfs/dbraw/zinc/15/27/94/451152794.db2.gz RODJQHKCXGTLHU-UHFFFAOYSA-N 2 1 346.475 1.330 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000635704616 451184573 /nfs/dbraw/zinc/18/45/73/451184573.db2.gz LJAWAZWDMWZUBT-IAGOWNOFSA-N 2 1 348.491 1.891 20 0 EDADMP CC1(C)CN(C(=O)NCCOCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000627213644 451191101 /nfs/dbraw/zinc/19/11/01/451191101.db2.gz MNQTVTLWZLPYOX-UHFFFAOYSA-N 2 1 348.491 1.658 20 0 EDADMP C[C@@H]1[C@H](NS(=O)(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000632339800 451210624 /nfs/dbraw/zinc/21/06/24/451210624.db2.gz GCQTTWXJEPCRKZ-NVXWUHKLSA-N 2 1 339.505 1.521 20 0 EDADMP C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C[NH2+]CCO1 ZINC000638085159 451249802 /nfs/dbraw/zinc/24/98/02/451249802.db2.gz OIYJECXRPKMGNO-PBHICJAKSA-N 2 1 337.489 1.455 20 0 EDADMP [NH3+]Cc1ncc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000638086393 451252252 /nfs/dbraw/zinc/25/22/52/451252252.db2.gz YYDGQAQGDIARRI-CYBMUJFWSA-N 2 1 345.472 1.639 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634260800 451254749 /nfs/dbraw/zinc/25/47/49/451254749.db2.gz WDURHUVFEMPENL-SJORKVTESA-N 3 1 339.528 1.186 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCCC[NH2+]1 ZINC000638117571 451286419 /nfs/dbraw/zinc/28/64/19/451286419.db2.gz MLJHHHGRMQGGKX-UYAOXDASSA-N 2 1 345.487 1.926 20 0 EDADMP CC(C)(C)[C@@]1(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC[NH+](Cc2ccccc2)C1 ZINC000638096207 451260556 /nfs/dbraw/zinc/26/05/56/451260556.db2.gz ZJQYXVRTVZCDFS-NSHGMRRFSA-N 2 1 332.488 1.962 20 0 EDADMP CC(C)(C)[C@@]1(C[NH+]2C[C@@H](O)[C@@H](O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000638096207 451260559 /nfs/dbraw/zinc/26/05/59/451260559.db2.gz ZJQYXVRTVZCDFS-NSHGMRRFSA-N 2 1 332.488 1.962 20 0 EDADMP CC(C)(C)[C@@]1(C[NH+]2C[C@@H](O)[C@@H](O)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000638096207 451260563 /nfs/dbraw/zinc/26/05/63/451260563.db2.gz ZJQYXVRTVZCDFS-NSHGMRRFSA-N 2 1 332.488 1.962 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638101073 451267027 /nfs/dbraw/zinc/26/70/27/451267027.db2.gz SNXJIEBOUWNSRR-SCTDSRPQSA-N 2 1 346.519 1.825 20 0 EDADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638101073 451267031 /nfs/dbraw/zinc/26/70/31/451267031.db2.gz SNXJIEBOUWNSRR-SCTDSRPQSA-N 2 1 346.519 1.825 20 0 EDADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638101073 451267034 /nfs/dbraw/zinc/26/70/34/451267034.db2.gz SNXJIEBOUWNSRR-SCTDSRPQSA-N 2 1 346.519 1.825 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638113219 451281627 /nfs/dbraw/zinc/28/16/27/451281627.db2.gz ZSEOEBMPPBPALC-YJBOKZPZSA-N 2 1 325.497 1.759 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000638113758 451283024 /nfs/dbraw/zinc/28/30/24/451283024.db2.gz UXIZKYBUBLTRHL-HNNXBMFYSA-N 2 1 325.497 1.914 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)Cc1ncc[nH]1 ZINC000636547548 451289144 /nfs/dbraw/zinc/28/91/44/451289144.db2.gz KCEPROGTMHYGOA-AWEZNQCLSA-N 2 1 335.452 1.139 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C3=CC[C@H]([NH3+])C3)cc2)CC1 ZINC000638136513 451309063 /nfs/dbraw/zinc/30/90/63/451309063.db2.gz HVSLABOCNJNAMH-SFHVURJKSA-N 2 1 328.460 1.098 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)CC(C)(C)C ZINC000635894222 451337510 /nfs/dbraw/zinc/33/75/10/451337510.db2.gz FDGFZYWPOLVAKE-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@H](C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+](C)C ZINC000635919474 451364761 /nfs/dbraw/zinc/36/47/61/451364761.db2.gz JQXJUJAERQKFEI-MJGOQNOKSA-N 2 1 344.503 1.355 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000638238658 451374242 /nfs/dbraw/zinc/37/42/42/451374242.db2.gz BVUBYIFOKAWTSZ-RBUKOAKNSA-N 2 1 344.503 1.294 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000638287953 451405256 /nfs/dbraw/zinc/40/52/56/451405256.db2.gz YEYFJOJVUBJOPM-CWLKWCNXSA-N 2 1 333.476 1.718 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000638298598 451413974 /nfs/dbraw/zinc/41/39/74/451413974.db2.gz HSXRZRTUVJHFSK-QUCCMNQESA-N 2 1 345.487 1.865 20 0 EDADMP CC1CC[NH+](CCC[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000638305651 451420096 /nfs/dbraw/zinc/42/00/96/451420096.db2.gz DQTXEQGLILGOBC-UHFFFAOYSA-N 2 1 345.553 1.949 20 0 EDADMP CN(C)c1cc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc[nH+]1 ZINC000640602924 451449795 /nfs/dbraw/zinc/44/97/95/451449795.db2.gz IBSJYAGOWSVPAE-HNNXBMFYSA-N 2 1 335.452 1.722 20 0 EDADMP C[C@@H]1C[C@H](C)N(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000638357454 451457948 /nfs/dbraw/zinc/45/79/48/451457948.db2.gz MHQWFNXZONWNHM-FZCLSBEQSA-N 2 1 332.492 1.278 20 0 EDADMP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000638357454 451457954 /nfs/dbraw/zinc/45/79/54/451457954.db2.gz MHQWFNXZONWNHM-FZCLSBEQSA-N 2 1 332.492 1.278 20 0 EDADMP CCC[C@@H](C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)OC ZINC000638364440 451461838 /nfs/dbraw/zinc/46/18/38/451461838.db2.gz HQFPBQDHUGELQB-SFHVURJKSA-N 2 1 333.476 1.979 20 0 EDADMP CC(C)(C)NS(=O)(=O)C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000638376855 451471552 /nfs/dbraw/zinc/47/15/52/451471552.db2.gz MDJVCPIESNAXQH-ZIAGYGMSSA-N 2 1 329.510 1.453 20 0 EDADMP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000638376855 451471558 /nfs/dbraw/zinc/47/15/58/451471558.db2.gz MDJVCPIESNAXQH-ZIAGYGMSSA-N 2 1 329.510 1.453 20 0 EDADMP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000638376855 451471563 /nfs/dbraw/zinc/47/15/63/451471563.db2.gz MDJVCPIESNAXQH-ZIAGYGMSSA-N 2 1 329.510 1.453 20 0 EDADMP C[C@H]([C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000634703029 451479275 /nfs/dbraw/zinc/47/92/75/451479275.db2.gz ONMWMSWAVCDIDR-NLWGTHIKSA-N 2 1 347.503 1.322 20 0 EDADMP C[C@H]([C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000634703029 451479278 /nfs/dbraw/zinc/47/92/78/451479278.db2.gz ONMWMSWAVCDIDR-NLWGTHIKSA-N 2 1 347.503 1.322 20 0 EDADMP O[C@]1(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634709327 451487843 /nfs/dbraw/zinc/48/78/43/451487843.db2.gz HMFJYTVSEFWPIY-SLFFLAALSA-N 2 1 346.471 1.551 20 0 EDADMP O[C@]1(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709327 451487849 /nfs/dbraw/zinc/48/78/49/451487849.db2.gz HMFJYTVSEFWPIY-SLFFLAALSA-N 2 1 346.471 1.551 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([NH+]2CCCOCC2)CC1)CC(C)(C)C ZINC000636022119 451443077 /nfs/dbraw/zinc/44/30/77/451443077.db2.gz PMTGTNHTBNJZMN-UHFFFAOYSA-N 2 1 325.497 1.678 20 0 EDADMP C[NH+](CC(=O)N1CCC([N@@H+]2CCCOCC2)CC1)CC(C)(C)C ZINC000636022119 451443080 /nfs/dbraw/zinc/44/30/80/451443080.db2.gz PMTGTNHTBNJZMN-UHFFFAOYSA-N 2 1 325.497 1.678 20 0 EDADMP C[NH+](CC(=O)N1CCC([N@H+]2CCCOCC2)CC1)CC(C)(C)C ZINC000636022119 451443084 /nfs/dbraw/zinc/44/30/84/451443084.db2.gz PMTGTNHTBNJZMN-UHFFFAOYSA-N 2 1 325.497 1.678 20 0 EDADMP C[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638344424 451447963 /nfs/dbraw/zinc/44/79/63/451447963.db2.gz QVYQMVLHBBHVGJ-AZUAARDMSA-N 2 1 345.487 1.593 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N[C@@H]1Cc2cncn2C1 ZINC000636784900 451506232 /nfs/dbraw/zinc/50/62/32/451506232.db2.gz ANIYWJMWRFARIW-IAGOWNOFSA-N 2 1 339.443 1.772 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733189 451512052 /nfs/dbraw/zinc/51/20/52/451512052.db2.gz ZDOUOOKKEICSIL-OAHLLOKOSA-N 2 1 335.496 1.433 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000638438693 451516595 /nfs/dbraw/zinc/51/65/95/451516595.db2.gz YMZILNFINPCCDM-INIZCTEOSA-N 2 1 349.862 1.505 20 0 EDADMP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(=O)N1CCCC[C@@H]1C ZINC000638490566 451542348 /nfs/dbraw/zinc/54/23/48/451542348.db2.gz YQNDYMWZEDOZGB-LSDHHAIUSA-N 2 1 325.497 1.601 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@@H]2CC[NH2+]C23CCC3)c2ccccc2)CC1 ZINC000638505546 451550728 /nfs/dbraw/zinc/55/07/28/451550728.db2.gz MDXNZOCPIJTYQN-MSOLQXFVSA-N 2 1 342.487 1.376 20 0 EDADMP O=C(NC[C@H]1CCCC[NH2+]1)N1CC[NH+](CCc2cccs2)CC1 ZINC000636873774 451573726 /nfs/dbraw/zinc/57/37/26/451573726.db2.gz OSQZXRDCMIULMR-OAHLLOKOSA-N 2 1 336.505 1.760 20 0 EDADMP COCCc1ncc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000631128111 451598672 /nfs/dbraw/zinc/59/86/72/451598672.db2.gz VUKLZNBRDPKBCQ-UHFFFAOYSA-N 2 1 326.510 1.448 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000638601664 451598998 /nfs/dbraw/zinc/59/89/98/451598998.db2.gz PEROCHYXMOYHRR-INIZCTEOSA-N 2 1 339.528 1.314 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000638601664 451599002 /nfs/dbraw/zinc/59/90/02/451599002.db2.gz PEROCHYXMOYHRR-INIZCTEOSA-N 2 1 339.528 1.314 20 0 EDADMP C[N@H+](CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)CC(C)(C)C ZINC000636227132 451603562 /nfs/dbraw/zinc/60/35/62/451603562.db2.gz OWCYBCPNQWZLCP-HZPDHXFCSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@@H+](CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)CC(C)(C)C ZINC000636227132 451603568 /nfs/dbraw/zinc/60/35/68/451603568.db2.gz OWCYBCPNQWZLCP-HZPDHXFCSA-N 2 1 337.508 1.724 20 0 EDADMP c1csc([C@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c2nnc[nH]2)c1 ZINC000635007912 451648221 /nfs/dbraw/zinc/64/82/21/451648221.db2.gz BRWCJBYJQFYNNS-HNNXBMFYSA-N 2 1 341.444 1.872 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000636494859 451736863 /nfs/dbraw/zinc/73/68/63/451736863.db2.gz WKTMIWJXBFLTFL-SFHVURJKSA-N 2 1 346.475 1.148 20 0 EDADMP O=C(N[C@@H]1CCC[NH2+]CC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000641072489 451745082 /nfs/dbraw/zinc/74/50/82/451745082.db2.gz JXLJEFRPODOBLO-GOSISDBHSA-N 2 1 330.476 1.698 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639063388 451760164 /nfs/dbraw/zinc/76/01/64/451760164.db2.gz CUVMOPOILDIFOE-MRXNPFEDSA-N 2 1 349.475 1.451 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)[C@]12CCCO2 ZINC000639116228 451771220 /nfs/dbraw/zinc/77/12/20/451771220.db2.gz CPDDZWHQNOCGAN-XMTFNYHQSA-N 2 1 326.481 1.804 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC(Cc2ccco2)C1 ZINC000637264031 451773982 /nfs/dbraw/zinc/77/39/82/451773982.db2.gz JORXSYFQLBEYQJ-HNNXBMFYSA-N 2 1 336.480 1.736 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC(Cc2ccco2)C1 ZINC000637264031 451773985 /nfs/dbraw/zinc/77/39/85/451773985.db2.gz JORXSYFQLBEYQJ-HNNXBMFYSA-N 2 1 336.480 1.736 20 0 EDADMP O=S(=O)(CCn1ccnc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000641263560 451798115 /nfs/dbraw/zinc/79/81/15/451798115.db2.gz NXYXILMWBFWUGW-UHFFFAOYSA-N 2 1 348.472 1.421 20 0 EDADMP O=S(=O)(CCn1ccnc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000641263560 451798117 /nfs/dbraw/zinc/79/81/17/451798117.db2.gz NXYXILMWBFWUGW-UHFFFAOYSA-N 2 1 348.472 1.421 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)c2ccnc(OCC[NH+](C)C)c2)[C@@H](C)C[N@H+]1C ZINC000637378978 451810718 /nfs/dbraw/zinc/81/07/18/451810718.db2.gz AAGXUPUUEMOZSX-ZNMIVQPWSA-N 2 1 334.464 1.575 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000644575220 451869800 /nfs/dbraw/zinc/86/98/00/451869800.db2.gz XTSXYBJIOICZIJ-IAOVAPTHSA-N 2 1 335.448 1.457 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649279785 451950432 /nfs/dbraw/zinc/95/04/32/451950432.db2.gz WCHXTSKUBRKRHW-INIZCTEOSA-N 2 1 337.414 1.884 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@]1(N)CC[NH+](C)C1 ZINC000649288579 451961688 /nfs/dbraw/zinc/96/16/88/451961688.db2.gz ZKJZMKMAMSSEPN-OXJNMPFZSA-N 2 1 344.503 1.710 20 0 EDADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@@]1(N)CC[N@H+](C)C1 ZINC000649288579 451961696 /nfs/dbraw/zinc/96/16/96/451961696.db2.gz ZKJZMKMAMSSEPN-OXJNMPFZSA-N 2 1 344.503 1.710 20 0 EDADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@@]1(N)CC[N@@H+](C)C1 ZINC000649288579 451961702 /nfs/dbraw/zinc/96/17/02/451961702.db2.gz ZKJZMKMAMSSEPN-OXJNMPFZSA-N 2 1 344.503 1.710 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)CC[NH+](C)C ZINC000637601671 451966484 /nfs/dbraw/zinc/96/64/84/451966484.db2.gz BOBFCSLLQVVMCK-WMZOPIPTSA-N 2 1 332.492 1.958 20 0 EDADMP CNC(=O)[C@]1(C)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639622227 451980385 /nfs/dbraw/zinc/98/03/85/451980385.db2.gz CPNUEHCDSWGCHQ-MOPGFXCFSA-N 2 1 331.460 1.081 20 0 EDADMP CNC(=O)[C@]1(C)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639622227 451980394 /nfs/dbraw/zinc/98/03/94/451980394.db2.gz CPNUEHCDSWGCHQ-MOPGFXCFSA-N 2 1 331.460 1.081 20 0 EDADMP CNC(=O)[C@]1(C)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639622227 451980403 /nfs/dbraw/zinc/98/04/03/451980403.db2.gz CPNUEHCDSWGCHQ-MOPGFXCFSA-N 2 1 331.460 1.081 20 0 EDADMP CNC(=O)[C@]1(C)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639622227 451980409 /nfs/dbraw/zinc/98/04/09/451980409.db2.gz CPNUEHCDSWGCHQ-MOPGFXCFSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)CCC(C)(C)[NH3+])cc2)CC1 ZINC000649304936 451982436 /nfs/dbraw/zinc/98/24/36/451982436.db2.gz OFNNXKUAFMQPDG-UHFFFAOYSA-N 2 1 332.448 1.530 20 0 EDADMP COC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCC[NH2+]1 ZINC000649310532 451987844 /nfs/dbraw/zinc/98/78/44/451987844.db2.gz QVUBRIIDEPVHMV-AZUAARDMSA-N 2 1 345.487 1.436 20 0 EDADMP C[C@@H](c1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)cc1)[NH+]1CCOCC1 ZINC000649322637 452001343 /nfs/dbraw/zinc/00/13/43/452001343.db2.gz BOBWYXGOYAGWEU-HOCLYGCPSA-N 2 1 333.432 1.254 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@]2(N)CC[N@H+](C)C2)cc1)[NH+]1CCOCC1 ZINC000649322946 452001902 /nfs/dbraw/zinc/00/19/02/452001902.db2.gz XUAQSKSOJJHNIG-KDOFPFPSSA-N 2 1 332.448 1.051 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@]2(N)CC[N@@H+](C)C2)cc1)[NH+]1CCOCC1 ZINC000649322946 452001907 /nfs/dbraw/zinc/00/19/07/452001907.db2.gz XUAQSKSOJJHNIG-KDOFPFPSSA-N 2 1 332.448 1.051 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CCCCC2)CCO1 ZINC000649329743 452009468 /nfs/dbraw/zinc/00/94/68/452009468.db2.gz FOGPKVUMGIPEQG-ZSHCYNCHSA-N 2 1 335.492 1.382 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)COC2(C)C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000649330073 452011945 /nfs/dbraw/zinc/01/19/45/452011945.db2.gz UXWGQPLXQAMQMG-AEFFLSMTSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000649335739 452015850 /nfs/dbraw/zinc/01/58/50/452015850.db2.gz VSLUPHGRPWRSLF-IXDOHACOSA-N 2 1 345.491 1.083 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2)CC[C@@H]1C ZINC000653563320 452017651 /nfs/dbraw/zinc/01/76/51/452017651.db2.gz GOXIDBPJISHVHW-ICSRJNTNSA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000653563320 452017656 /nfs/dbraw/zinc/01/76/56/452017656.db2.gz GOXIDBPJISHVHW-ICSRJNTNSA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000653563320 452017661 /nfs/dbraw/zinc/01/76/61/452017661.db2.gz GOXIDBPJISHVHW-ICSRJNTNSA-N 2 1 349.519 1.522 20 0 EDADMP CN(Cc1nnn(C(C)(C)C)n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000653593900 452030507 /nfs/dbraw/zinc/03/05/07/452030507.db2.gz VLMPYYQLALQNSY-HNNXBMFYSA-N 2 1 335.500 1.028 20 0 EDADMP CN(Cc1nnn(C(C)(C)C)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000653593900 452030512 /nfs/dbraw/zinc/03/05/12/452030512.db2.gz VLMPYYQLALQNSY-HNNXBMFYSA-N 2 1 335.500 1.028 20 0 EDADMP CN1CC[NH+](CCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000649349861 452033147 /nfs/dbraw/zinc/03/31/47/452033147.db2.gz ZYDVYEPCNQHAAN-KRWDZBQOSA-N 2 1 332.492 1.466 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649363802 452043253 /nfs/dbraw/zinc/04/32/53/452043253.db2.gz ODXZUBQYRRJUOS-ROUUACIJSA-N 2 1 336.524 1.252 20 0 EDADMP C[N@H+](CC[C@@H]1CCNC1=O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000653625777 452048613 /nfs/dbraw/zinc/04/86/13/452048613.db2.gz REFYGZBOBLUEQZ-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP C[N@@H+](CC[C@@H]1CCNC1=O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000653625777 452048618 /nfs/dbraw/zinc/04/86/18/452048618.db2.gz REFYGZBOBLUEQZ-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+](CC[C@@H]1CCNC1=O)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000653625777 452048621 /nfs/dbraw/zinc/04/86/21/452048621.db2.gz REFYGZBOBLUEQZ-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+](CC[C@@H]1CCNC1=O)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000653625777 452048626 /nfs/dbraw/zinc/04/86/26/452048626.db2.gz REFYGZBOBLUEQZ-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP CCN1C[C@H](C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)Oc2ccccc21 ZINC000649411298 452074069 /nfs/dbraw/zinc/07/40/69/452074069.db2.gz FKOPQOXKTQRTAI-INIZCTEOSA-N 2 1 346.475 1.028 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000637803110 452089810 /nfs/dbraw/zinc/08/98/10/452089810.db2.gz XXIJRXPRVMAZLH-KRWDZBQOSA-N 3 1 330.476 1.190 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](c2nc([C@H]3CCC[NH2+]3)no2)CC1=O ZINC000647152914 452093007 /nfs/dbraw/zinc/09/30/07/452093007.db2.gz PEBLNYDAXIYFBY-BFHYXJOUSA-N 2 1 333.436 1.294 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000639761141 452099411 /nfs/dbraw/zinc/09/94/11/452099411.db2.gz DMMKFSFTFDOVCW-UHFFFAOYSA-N 2 1 327.472 1.989 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000637846853 452113217 /nfs/dbraw/zinc/11/32/17/452113217.db2.gz YPSUHGXUUBIEIS-ROUUACIJSA-N 2 1 332.492 1.470 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000637846853 452113220 /nfs/dbraw/zinc/11/32/20/452113220.db2.gz YPSUHGXUUBIEIS-ROUUACIJSA-N 2 1 332.492 1.470 20 0 EDADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccnn2-c2ccccn2)CCCO1 ZINC000647206286 452124767 /nfs/dbraw/zinc/12/47/67/452124767.db2.gz NTTMKSJOFYQGSS-MRXNPFEDSA-N 2 1 329.448 1.858 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccnn2-c2ccccn2)CCCO1 ZINC000647206286 452124770 /nfs/dbraw/zinc/12/47/70/452124770.db2.gz NTTMKSJOFYQGSS-MRXNPFEDSA-N 2 1 329.448 1.858 20 0 EDADMP CCNC(=O)[C@H](C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637891101 452141699 /nfs/dbraw/zinc/14/16/99/452141699.db2.gz ZPPMKZGNLRCHNJ-HNNXBMFYSA-N 2 1 346.475 1.011 20 0 EDADMP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000639876338 452213929 /nfs/dbraw/zinc/21/39/29/452213929.db2.gz DIWWAXAXYDHJFQ-SJORKVTESA-N 2 1 325.497 1.017 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000641752295 452237717 /nfs/dbraw/zinc/23/77/17/452237717.db2.gz WQRNYFPNIAIFEV-GJZGRUSLSA-N 2 1 326.485 1.221 20 0 EDADMP CCCN(C(=O)NC[C@H]1CCC[NH+]1CCOC)[C@@H]1CC[N@@H+](C)C1 ZINC000645278902 452256404 /nfs/dbraw/zinc/25/64/04/452256404.db2.gz KQDKCBCOXWTRIH-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCCN(C(=O)NC[C@H]1CCC[N@@H+]1CCOC)[C@@H]1CC[NH+](C)C1 ZINC000645278902 452256413 /nfs/dbraw/zinc/25/64/13/452256413.db2.gz KQDKCBCOXWTRIH-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCCN(C(=O)NC[C@H]1CCC[N@H+]1CCOC)[C@@H]1CC[NH+](C)C1 ZINC000645278902 452256424 /nfs/dbraw/zinc/25/64/24/452256424.db2.gz KQDKCBCOXWTRIH-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCc1nc(CN[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cs1 ZINC000641789323 452267932 /nfs/dbraw/zinc/26/79/32/452267932.db2.gz BHHOLCYJCZEHCM-HNNXBMFYSA-N 2 1 338.521 1.592 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641805790 452283388 /nfs/dbraw/zinc/28/33/88/452283388.db2.gz OOAOJJGQDJMRQZ-DLBZAZTESA-N 2 1 333.476 1.945 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1OC ZINC000641807832 452287298 /nfs/dbraw/zinc/28/72/98/452287298.db2.gz SCNBCFZHHGYRSF-ZLIFDBKOSA-N 2 1 349.475 1.766 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1OC ZINC000641807827 452289159 /nfs/dbraw/zinc/28/91/59/452289159.db2.gz SCNBCFZHHGYRSF-AFAVFJNCSA-N 2 1 349.475 1.766 20 0 EDADMP COC[C@@]1(CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCC[NH2+]1 ZINC000641812421 452293978 /nfs/dbraw/zinc/29/39/78/452293978.db2.gz HFBVOHPZMALKCJ-KRWDZBQOSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659457526 452309669 /nfs/dbraw/zinc/30/96/69/452309669.db2.gz GQBVJAPVOVTUHT-DLBZAZTESA-N 2 1 338.496 1.128 20 0 EDADMP C[C@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659460206 452312644 /nfs/dbraw/zinc/31/26/44/452312644.db2.gz SECNEKUQKBTDCJ-DOTOQJQBSA-N 2 1 348.491 1.655 20 0 EDADMP C[C@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659460206 452312661 /nfs/dbraw/zinc/31/26/61/452312661.db2.gz SECNEKUQKBTDCJ-DOTOQJQBSA-N 2 1 348.491 1.655 20 0 EDADMP CCO[C@@H]1CN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652121755 452317830 /nfs/dbraw/zinc/31/78/30/452317830.db2.gz UVCXDXZNMIKGSQ-QZTJIDSGSA-N 2 1 348.491 1.514 20 0 EDADMP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655514447 452322848 /nfs/dbraw/zinc/32/28/48/452322848.db2.gz QSJLETFLWUIBAV-KGLIPLIRSA-N 2 1 329.366 1.904 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659467242 452324219 /nfs/dbraw/zinc/32/42/19/452324219.db2.gz VIWXACCTPFTIGM-VDHUWJSZSA-N 2 1 348.466 1.978 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H](C)CCO)CC2)cc1 ZINC000649866486 452326890 /nfs/dbraw/zinc/32/68/90/452326890.db2.gz UUPLEVJGRBEJNL-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)CCO)CC2)cc1 ZINC000649866486 452326897 /nfs/dbraw/zinc/32/68/97/452326897.db2.gz UUPLEVJGRBEJNL-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)CCO)CC2)cc1 ZINC000649866486 452326899 /nfs/dbraw/zinc/32/68/99/452326899.db2.gz UUPLEVJGRBEJNL-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638054251 452333871 /nfs/dbraw/zinc/33/38/71/452333871.db2.gz DXDGKXILQMQIJR-HKUYNNGSSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638054251 452333881 /nfs/dbraw/zinc/33/38/81/452333881.db2.gz DXDGKXILQMQIJR-HKUYNNGSSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638054251 452333888 /nfs/dbraw/zinc/33/38/88/452333888.db2.gz DXDGKXILQMQIJR-HKUYNNGSSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638054251 452333894 /nfs/dbraw/zinc/33/38/94/452333894.db2.gz DXDGKXILQMQIJR-HKUYNNGSSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638054251 452333901 /nfs/dbraw/zinc/33/39/01/452333901.db2.gz DXDGKXILQMQIJR-HKUYNNGSSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000665761871 452334906 /nfs/dbraw/zinc/33/49/06/452334906.db2.gz SEDDHUQPKCUUGD-AWEZNQCLSA-N 2 1 349.479 1.127 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000665761871 452334914 /nfs/dbraw/zinc/33/49/14/452334914.db2.gz SEDDHUQPKCUUGD-AWEZNQCLSA-N 2 1 349.479 1.127 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)CCc1nccs1 ZINC000665761023 452336279 /nfs/dbraw/zinc/33/62/79/452336279.db2.gz VHAYAJMDHAQHKR-AWEZNQCLSA-N 2 1 341.525 1.599 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)CCc1nccs1 ZINC000665761023 452336286 /nfs/dbraw/zinc/33/62/86/452336286.db2.gz VHAYAJMDHAQHKR-AWEZNQCLSA-N 2 1 341.525 1.599 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(C(F)F)CC1 ZINC000665760996 452336410 /nfs/dbraw/zinc/33/64/10/452336410.db2.gz UNYWNHZSUDURHX-ZDUSSCGKSA-N 2 1 334.455 1.945 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(C(F)F)CC1 ZINC000665760996 452336417 /nfs/dbraw/zinc/33/64/17/452336417.db2.gz UNYWNHZSUDURHX-ZDUSSCGKSA-N 2 1 334.455 1.945 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659481641 452342096 /nfs/dbraw/zinc/34/20/96/452342096.db2.gz JTMHYUMUNWUQMC-DZUCGIPZSA-N 2 1 334.439 1.588 20 0 EDADMP C[C@@H](CNC(=O)NCCN(C)CCC[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000663628358 452367307 /nfs/dbraw/zinc/36/73/07/452367307.db2.gz MJRXNNLRKGUFNG-SJORKVTESA-N 2 1 341.544 1.290 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000638065238 452367720 /nfs/dbraw/zinc/36/77/20/452367720.db2.gz SQZINWLLXWURRE-PMPSAXMXSA-N 2 1 337.851 1.709 20 0 EDADMP CC[C@@]1(O)CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000640035744 452372068 /nfs/dbraw/zinc/37/20/68/452372068.db2.gz NAWNOYKUGIFBRC-PKOBYXMFSA-N 2 1 333.476 1.642 20 0 EDADMP CC(C)O[C@H](CN(C)CC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000640051314 452393914 /nfs/dbraw/zinc/39/39/14/452393914.db2.gz MTFGUZNXZSTRIV-GOSISDBHSA-N 2 1 333.476 1.859 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659537677 452397194 /nfs/dbraw/zinc/39/71/94/452397194.db2.gz MNCLXDCUVQVIOW-SJLPKXTDSA-N 2 1 347.507 1.100 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659537677 452397205 /nfs/dbraw/zinc/39/72/05/452397205.db2.gz MNCLXDCUVQVIOW-SJLPKXTDSA-N 2 1 347.507 1.100 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652202489 452401719 /nfs/dbraw/zinc/40/17/19/452401719.db2.gz LKJNJOGBVYMGAH-QZTJIDSGSA-N 2 1 330.476 1.554 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652202489 452401730 /nfs/dbraw/zinc/40/17/30/452401730.db2.gz LKJNJOGBVYMGAH-QZTJIDSGSA-N 2 1 330.476 1.554 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000652221435 452413519 /nfs/dbraw/zinc/41/35/19/452413519.db2.gz VVZJLAOJSINASA-VYHSGFQXSA-N 2 1 342.487 1.897 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCCC2(C[NH3+])CC2)C[C@H]1Cc1ccccc1 ZINC000652234766 452422870 /nfs/dbraw/zinc/42/28/70/452422870.db2.gz JDQCWBVQYYFAMN-QGZVFWFLSA-N 2 1 330.476 1.684 20 0 EDADMP C[N@H+]1CCN(C(=O)NCCC2(C[NH3+])CC2)C[C@H]1Cc1ccccc1 ZINC000652234766 452422880 /nfs/dbraw/zinc/42/28/80/452422880.db2.gz JDQCWBVQYYFAMN-QGZVFWFLSA-N 2 1 330.476 1.684 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654380875 452432509 /nfs/dbraw/zinc/43/25/09/452432509.db2.gz ILQRKHIKTVQZAC-NQNKBUKLSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654380875 452432516 /nfs/dbraw/zinc/43/25/16/452432516.db2.gz ILQRKHIKTVQZAC-NQNKBUKLSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654380875 452432520 /nfs/dbraw/zinc/43/25/20/452432520.db2.gz ILQRKHIKTVQZAC-NQNKBUKLSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654380875 452432527 /nfs/dbraw/zinc/43/25/27/452432527.db2.gz ILQRKHIKTVQZAC-NQNKBUKLSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654380875 452432533 /nfs/dbraw/zinc/43/25/33/452432533.db2.gz ILQRKHIKTVQZAC-NQNKBUKLSA-N 2 1 338.496 1.410 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654382490 452434166 /nfs/dbraw/zinc/43/41/66/452434166.db2.gz XHLZDAXMFDFHJA-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654382490 452434172 /nfs/dbraw/zinc/43/41/72/452434172.db2.gz XHLZDAXMFDFHJA-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654382490 452434180 /nfs/dbraw/zinc/43/41/80/452434180.db2.gz XHLZDAXMFDFHJA-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[NH+](C)CC2)cc1 ZINC000659585574 452440945 /nfs/dbraw/zinc/44/09/45/452440945.db2.gz MFDIDQBQXGOPGR-ROUUACIJSA-N 2 1 346.475 1.488 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H]([NH+](C)CCc2ccccc2)C1 ZINC000661641871 452457401 /nfs/dbraw/zinc/45/74/01/452457401.db2.gz XDSXSAMRJKHFBQ-PMACEKPBSA-N 2 1 333.520 1.936 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)CN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000661641871 452457408 /nfs/dbraw/zinc/45/74/08/452457408.db2.gz XDSXSAMRJKHFBQ-PMACEKPBSA-N 2 1 333.520 1.936 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)CN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000661641871 452457417 /nfs/dbraw/zinc/45/74/17/452457417.db2.gz XDSXSAMRJKHFBQ-PMACEKPBSA-N 2 1 333.520 1.936 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000663737364 452470559 /nfs/dbraw/zinc/47/05/59/452470559.db2.gz YTDRQZVEGHUUAC-MRXNPFEDSA-N 2 1 337.468 1.334 20 0 EDADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661669387 452478223 /nfs/dbraw/zinc/47/82/23/452478223.db2.gz QAKWLTJVQMZNEK-GBESFXJTSA-N 2 1 336.476 1.024 20 0 EDADMP COCC[N@H+](C)C[C@H](O)CN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661669387 452478233 /nfs/dbraw/zinc/47/82/33/452478233.db2.gz QAKWLTJVQMZNEK-GBESFXJTSA-N 2 1 336.476 1.024 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661669387 452478244 /nfs/dbraw/zinc/47/82/44/452478244.db2.gz QAKWLTJVQMZNEK-GBESFXJTSA-N 2 1 336.476 1.024 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659623455 452481225 /nfs/dbraw/zinc/48/12/25/452481225.db2.gz HKWMEPVFIIHDES-DLBZAZTESA-N 3 1 341.544 1.417 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCCC2CC[NH2+]CC2)C[C@H]1Cc1ccccc1 ZINC000652320689 452494842 /nfs/dbraw/zinc/49/48/42/452494842.db2.gz JCHCVQQFDIPKNF-LJQANCHMSA-N 2 1 344.503 1.944 20 0 EDADMP C[N@H+]1CCN(C(=O)NCCC2CC[NH2+]CC2)C[C@H]1Cc1ccccc1 ZINC000652320689 452494851 /nfs/dbraw/zinc/49/48/51/452494851.db2.gz JCHCVQQFDIPKNF-LJQANCHMSA-N 2 1 344.503 1.944 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C1 ZINC000663775194 452505821 /nfs/dbraw/zinc/50/58/21/452505821.db2.gz VGDPZGSTLJGRAY-ROUUACIJSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000663775194 452505834 /nfs/dbraw/zinc/50/58/34/452505834.db2.gz VGDPZGSTLJGRAY-ROUUACIJSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000663775194 452505846 /nfs/dbraw/zinc/50/58/46/452505846.db2.gz VGDPZGSTLJGRAY-ROUUACIJSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCOCC1 ZINC000654443832 452506611 /nfs/dbraw/zinc/50/66/11/452506611.db2.gz BKKGDUZEMRKJOC-CVEARBPZSA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)C[NH2+]C ZINC000659646705 452508141 /nfs/dbraw/zinc/50/81/41/452508141.db2.gz PRUDLBLADIEFNS-RDJZCZTQSA-N 2 1 333.480 1.685 20 0 EDADMP c1c(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)nc2n1CCCC2 ZINC000655687988 452510596 /nfs/dbraw/zinc/51/05/96/452510596.db2.gz FMSBUVKGFLZQFP-SFHVURJKSA-N 2 1 332.492 1.995 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000647786184 452520323 /nfs/dbraw/zinc/52/03/23/452520323.db2.gz JXANWNZICYCDAJ-PWRODBHTSA-N 3 1 342.531 1.912 20 0 EDADMP CC1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652346070 452520292 /nfs/dbraw/zinc/52/02/92/452520292.db2.gz SKGZNVXUYKKUBU-USFGWYQBSA-N 2 1 337.508 1.900 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)C1 ZINC000652347548 452523997 /nfs/dbraw/zinc/52/39/97/452523997.db2.gz DJQMWQHJACFLQK-BRWVUGGUSA-N 2 1 335.492 1.510 20 0 EDADMP O=C(NCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(O)c1 ZINC000655704889 452524134 /nfs/dbraw/zinc/52/41/34/452524134.db2.gz PGTNSJCOUNRNEL-KRWDZBQOSA-N 2 1 347.459 1.355 20 0 EDADMP C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)[C@@H]1CC[NH3+] ZINC000652354592 452532375 /nfs/dbraw/zinc/53/23/75/452532375.db2.gz CNAYMWOIPDDFBB-HYVNUMGLSA-N 2 1 331.460 1.556 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)[C@@H]1CC[NH3+] ZINC000652354592 452532382 /nfs/dbraw/zinc/53/23/82/452532382.db2.gz CNAYMWOIPDDFBB-HYVNUMGLSA-N 2 1 331.460 1.556 20 0 EDADMP CC(C)CN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C1CC1 ZINC000652361564 452540820 /nfs/dbraw/zinc/54/08/20/452540820.db2.gz KGQGEACELYOKCH-KBAYOESNSA-N 2 1 337.508 1.994 20 0 EDADMP Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)n(C)n1 ZINC000652362711 452544372 /nfs/dbraw/zinc/54/43/72/452544372.db2.gz NEWMOHLWCXEHNT-RBSFLKMASA-N 2 1 335.452 1.028 20 0 EDADMP Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)n(C)n1 ZINC000652362711 452544377 /nfs/dbraw/zinc/54/43/77/452544377.db2.gz NEWMOHLWCXEHNT-RBSFLKMASA-N 2 1 335.452 1.028 20 0 EDADMP c1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)nc1 ZINC000655737355 452549584 /nfs/dbraw/zinc/54/95/84/452549584.db2.gz MDDAQIBEQLPTQI-QZTJIDSGSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000659679107 452551091 /nfs/dbraw/zinc/55/10/91/452551091.db2.gz RNVKYSXGFXMOIS-HNNXBMFYSA-N 2 1 346.475 1.011 20 0 EDADMP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835375 452570388 /nfs/dbraw/zinc/57/03/88/452570388.db2.gz VXJGSUJSEAGYRR-AWEZNQCLSA-N 2 1 338.883 1.182 20 0 EDADMP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835375 452570399 /nfs/dbraw/zinc/57/03/99/452570399.db2.gz VXJGSUJSEAGYRR-AWEZNQCLSA-N 2 1 338.883 1.182 20 0 EDADMP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835373 452570861 /nfs/dbraw/zinc/57/08/61/452570861.db2.gz VVZRLYQHWNZPJD-OAHLLOKOSA-N 2 1 334.464 1.249 20 0 EDADMP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835373 452570866 /nfs/dbraw/zinc/57/08/66/452570866.db2.gz VVZRLYQHWNZPJD-OAHLLOKOSA-N 2 1 334.464 1.249 20 0 EDADMP O=C(N[C@@H]1CCN(c2ccccn2)C1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654506151 452580608 /nfs/dbraw/zinc/58/06/08/452580608.db2.gz PCXQGPAHOLRCKE-BRWVUGGUSA-N 2 1 343.475 1.976 20 0 EDADMP COc1cc(NC(=O)CC[N@@H+](C)CCC[NH3+])cc(OC)c1OC ZINC000647848047 452582924 /nfs/dbraw/zinc/58/29/24/452582924.db2.gz ASYHWNSTNTUNAL-UHFFFAOYSA-N 2 1 325.409 1.322 20 0 EDADMP CCO[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)C1 ZINC000666131784 452629814 /nfs/dbraw/zinc/62/98/14/452629814.db2.gz JIROHQXBYAWRCK-ULQDDVLXSA-N 2 1 340.512 1.611 20 0 EDADMP [NH3+]C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(F)(F)F ZINC000655926845 452692881 /nfs/dbraw/zinc/69/28/81/452692881.db2.gz GTRIFASDKRXPPB-STQMWFEESA-N 2 1 336.402 1.972 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H]1c1ccccc1 ZINC000655927154 452696266 /nfs/dbraw/zinc/69/62/66/452696266.db2.gz GNJLMNWUDWBNFX-AVGNSLFASA-N 2 1 330.354 1.621 20 0 EDADMP CC(=O)NCc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658076185 452716991 /nfs/dbraw/zinc/71/69/91/452716991.db2.gz GOABYYBIZPERKI-IBGZPJMESA-N 2 1 331.460 1.666 20 0 EDADMP Cc1c(N(C)C[C@@H]2CCC[NH+]2C)ncnc1N(C)C[C@@H]1CCC[N@H+]1C ZINC000664029265 452729154 /nfs/dbraw/zinc/72/91/54/452729154.db2.gz MFCWCBIBNWGORC-IRXDYDNUSA-N 2 1 346.523 1.846 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000659845311 452730244 /nfs/dbraw/zinc/73/02/44/452730244.db2.gz UKCVHMLCGXRECY-WMZOPIPTSA-N 2 1 339.524 1.658 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000661981313 452734443 /nfs/dbraw/zinc/73/44/43/452734443.db2.gz PBTCTFWKUIQTTB-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP [NH3+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655958483 452738218 /nfs/dbraw/zinc/73/82/18/452738218.db2.gz LBDVVYGPHODTGS-HZPDHXFCSA-N 2 1 330.432 1.217 20 0 EDADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654649837 452742683 /nfs/dbraw/zinc/74/26/83/452742683.db2.gz OZQVBIFGEGHNLO-OAGGEKHMSA-N 2 1 340.512 1.656 20 0 EDADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654649837 452742694 /nfs/dbraw/zinc/74/26/94/452742694.db2.gz OZQVBIFGEGHNLO-OAGGEKHMSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650890 452747284 /nfs/dbraw/zinc/74/72/84/452747284.db2.gz OYBHJQNZOJXFEL-MWDXBVQZSA-N 2 1 336.480 1.140 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650890 452747289 /nfs/dbraw/zinc/74/72/89/452747289.db2.gz OYBHJQNZOJXFEL-MWDXBVQZSA-N 2 1 336.480 1.140 20 0 EDADMP COCC1(CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH2+]CC1 ZINC000655966602 452748246 /nfs/dbraw/zinc/74/82/46/452748246.db2.gz BKGVGVNUYXAZCJ-CVEARBPZSA-N 2 1 338.496 1.319 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969625 452750051 /nfs/dbraw/zinc/75/00/51/452750051.db2.gz VULMQUHHQOSYGF-OAGGEKHMSA-N 2 1 348.491 1.703 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969625 452750056 /nfs/dbraw/zinc/75/00/56/452750056.db2.gz VULMQUHHQOSYGF-OAGGEKHMSA-N 2 1 348.491 1.703 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970559 452753045 /nfs/dbraw/zinc/75/30/45/452753045.db2.gz HYOBJZYHNBYLHG-SUJAAXHWSA-N 2 1 326.485 1.110 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970559 452753049 /nfs/dbraw/zinc/75/30/49/452753049.db2.gz HYOBJZYHNBYLHG-SUJAAXHWSA-N 2 1 326.485 1.110 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652500 452755733 /nfs/dbraw/zinc/75/57/33/452755733.db2.gz NJYSJRZQPPJRPS-LVQVYYBASA-N 2 1 326.485 1.077 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652500 452755744 /nfs/dbraw/zinc/75/57/44/452755744.db2.gz NJYSJRZQPPJRPS-LVQVYYBASA-N 2 1 326.485 1.077 20 0 EDADMP c1cc2n(n1)C[C@@H](C[N@@H+]1C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)CN2 ZINC000648029572 452766025 /nfs/dbraw/zinc/76/60/25/452766025.db2.gz MFDUIOIFZOSUKG-QRVBRYPASA-N 2 1 337.471 1.989 20 0 EDADMP c1cc2n(n1)C[C@@H](C[NH+]1C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)CN2 ZINC000648029572 452766035 /nfs/dbraw/zinc/76/60/35/452766035.db2.gz MFDUIOIFZOSUKG-QRVBRYPASA-N 2 1 337.471 1.989 20 0 EDADMP c1cc2n(n1)C[C@@H](C[NH+]1C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)CN2 ZINC000648029572 452766042 /nfs/dbraw/zinc/76/60/42/452766042.db2.gz MFDUIOIFZOSUKG-QRVBRYPASA-N 2 1 337.471 1.989 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654656675 452769877 /nfs/dbraw/zinc/76/98/77/452769877.db2.gz XQEIJBLRODWNQW-WCXIOVBPSA-N 2 1 340.512 1.608 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654656675 452769883 /nfs/dbraw/zinc/76/98/83/452769883.db2.gz XQEIJBLRODWNQW-WCXIOVBPSA-N 2 1 340.512 1.608 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654656675 452769891 /nfs/dbraw/zinc/76/98/91/452769891.db2.gz XQEIJBLRODWNQW-WCXIOVBPSA-N 2 1 340.512 1.608 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654656675 452769895 /nfs/dbraw/zinc/76/98/95/452769895.db2.gz XQEIJBLRODWNQW-WCXIOVBPSA-N 2 1 340.512 1.608 20 0 EDADMP CC(C)CNC(=O)CCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000659909659 452798924 /nfs/dbraw/zinc/79/89/24/452798924.db2.gz KYUMWHGCROISOU-GOSISDBHSA-N 2 1 338.540 1.641 20 0 EDADMP O=C([C@@H]1CC[NH2+]CC1(F)F)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000648114704 452831838 /nfs/dbraw/zinc/83/18/38/452831838.db2.gz BFPKBSBNQLAFLG-CABCVRRESA-N 2 1 338.402 1.265 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000645846699 452847219 /nfs/dbraw/zinc/84/72/19/452847219.db2.gz UIESJWQXAPLNLN-GOEBONIOSA-N 2 1 344.459 1.320 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)COC2(C)C[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000648162102 452872249 /nfs/dbraw/zinc/87/22/49/452872249.db2.gz JZRYLLNOVWTEJN-GOEBONIOSA-N 2 1 337.851 1.580 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)COC2(C)C[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000648162102 452872254 /nfs/dbraw/zinc/87/22/54/452872254.db2.gz JZRYLLNOVWTEJN-GOEBONIOSA-N 2 1 337.851 1.580 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CC(C)C2)[C@H](C)C1 ZINC000654797782 452930157 /nfs/dbraw/zinc/93/01/57/452930157.db2.gz ITCVURFHLYCNMM-IKGGRYGDSA-N 2 1 325.497 1.580 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CC(C)C2)[C@H](C)C1 ZINC000654797782 452930166 /nfs/dbraw/zinc/93/01/66/452930166.db2.gz ITCVURFHLYCNMM-IKGGRYGDSA-N 2 1 325.497 1.580 20 0 EDADMP Cc1nn(C)c2ncc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cc12 ZINC000650706303 452943281 /nfs/dbraw/zinc/94/32/81/452943281.db2.gz IEHLYFHTTFINCF-JZXOWHBKSA-N 2 1 343.475 1.995 20 0 EDADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000645977680 452964754 /nfs/dbraw/zinc/96/47/54/452964754.db2.gz IJPICGHRYPSJCJ-WMLDXEAASA-N 2 1 330.476 1.605 20 0 EDADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000645977680 452964762 /nfs/dbraw/zinc/96/47/62/452964762.db2.gz IJPICGHRYPSJCJ-WMLDXEAASA-N 2 1 330.476 1.605 20 0 EDADMP COc1ccc(F)cc1CN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662259480 452987951 /nfs/dbraw/zinc/98/79/51/452987951.db2.gz YAEPWVKQZNPCPT-QGZVFWFLSA-N 2 1 349.450 1.473 20 0 EDADMP CCOc1ccc(CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662261208 452991797 /nfs/dbraw/zinc/99/17/97/452991797.db2.gz UTKZFAJSJZVEDG-IBGZPJMESA-N 2 1 345.487 1.724 20 0 EDADMP O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662281141 453005518 /nfs/dbraw/zinc/00/55/18/453005518.db2.gz UATAFMLMSDWPBW-QGZVFWFLSA-N 2 1 349.500 1.332 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCS[C@H](c3ccccc3)C2)C1 ZINC000666640983 453031172 /nfs/dbraw/zinc/03/11/72/453031172.db2.gz UHMMSYFQSQOEMZ-RDJZCZTQSA-N 2 1 333.501 1.974 20 0 EDADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337016 453053850 /nfs/dbraw/zinc/05/38/50/453053850.db2.gz ICSMRCVZOHIURE-KRWDZBQOSA-N 3 1 348.539 1.731 20 0 EDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337016 453053857 /nfs/dbraw/zinc/05/38/57/453053857.db2.gz ICSMRCVZOHIURE-KRWDZBQOSA-N 3 1 348.539 1.731 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000664406106 453067539 /nfs/dbraw/zinc/06/75/39/453067539.db2.gz POYVJWJNDMDNDY-ZOBUZTSGSA-N 3 1 339.528 1.040 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000664406106 453067544 /nfs/dbraw/zinc/06/75/44/453067544.db2.gz POYVJWJNDMDNDY-ZOBUZTSGSA-N 3 1 339.528 1.040 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000664406106 453067547 /nfs/dbraw/zinc/06/75/47/453067547.db2.gz POYVJWJNDMDNDY-ZOBUZTSGSA-N 3 1 339.528 1.040 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000664406106 453067555 /nfs/dbraw/zinc/06/75/55/453067555.db2.gz POYVJWJNDMDNDY-ZOBUZTSGSA-N 3 1 339.528 1.040 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC000654967120 453084835 /nfs/dbraw/zinc/08/48/35/453084835.db2.gz VUBHFARTHYGHIL-QGZVFWFLSA-N 2 1 327.432 1.361 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC000654967120 453084843 /nfs/dbraw/zinc/08/48/43/453084843.db2.gz VUBHFARTHYGHIL-QGZVFWFLSA-N 2 1 327.432 1.361 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000662387727 453096704 /nfs/dbraw/zinc/09/67/04/453096704.db2.gz LWFCQALUZXYRGN-GOSISDBHSA-N 2 1 332.492 1.438 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000646105887 453109896 /nfs/dbraw/zinc/10/98/96/453109896.db2.gz KPZGHLBLFJJEGT-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[NH2+]Cc2ccccc21 ZINC000662409697 453120481 /nfs/dbraw/zinc/12/04/81/453120481.db2.gz MMNIQGFJAQWKSI-OAHLLOKOSA-N 2 1 340.431 1.343 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000662410247 453121316 /nfs/dbraw/zinc/12/13/16/453121316.db2.gz XAGCXLKWIGILOF-YJBOKZPZSA-N 2 1 349.475 1.276 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000662410247 453121327 /nfs/dbraw/zinc/12/13/27/453121327.db2.gz XAGCXLKWIGILOF-YJBOKZPZSA-N 2 1 349.475 1.276 20 0 EDADMP C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000662454983 453162508 /nfs/dbraw/zinc/16/25/08/453162508.db2.gz SDIRJOQOBMPRCU-GDBMZVCRSA-N 2 1 341.459 1.737 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](Cn2cc(CC[NH+]3CCCCC3)nn2)C1 ZINC000656448881 453189748 /nfs/dbraw/zinc/18/97/48/453189748.db2.gz ORIYQNXQUOOBGQ-GOSISDBHSA-N 2 1 335.496 1.663 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1 ZINC000648702308 453195759 /nfs/dbraw/zinc/19/57/59/453195759.db2.gz WGFMSPFTELZXQZ-NLWGTHIKSA-N 2 1 348.487 1.989 20 0 EDADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655073833 453197279 /nfs/dbraw/zinc/19/72/79/453197279.db2.gz GLERMLKLSBLNES-XLIONFOSSA-N 2 1 343.471 1.081 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000651053803 453227702 /nfs/dbraw/zinc/22/77/02/453227702.db2.gz XATMSXZLAOPLGV-SFHVURJKSA-N 2 1 348.491 1.133 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000651053803 453227705 /nfs/dbraw/zinc/22/77/05/453227705.db2.gz XATMSXZLAOPLGV-SFHVURJKSA-N 2 1 348.491 1.133 20 0 EDADMP Clc1cccc(CC[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000656499560 453227821 /nfs/dbraw/zinc/22/78/21/453227821.db2.gz SFVLXXVPMWMDDZ-GOSISDBHSA-N 2 1 337.895 1.879 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000655121725 453239160 /nfs/dbraw/zinc/23/91/60/453239160.db2.gz PBKNXDYJDIXEIE-MOPGFXCFSA-N 2 1 345.487 1.472 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655121725 453239164 /nfs/dbraw/zinc/23/91/64/453239164.db2.gz PBKNXDYJDIXEIE-MOPGFXCFSA-N 2 1 345.487 1.472 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655121725 453239170 /nfs/dbraw/zinc/23/91/70/453239170.db2.gz PBKNXDYJDIXEIE-MOPGFXCFSA-N 2 1 345.487 1.472 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000662529612 453250231 /nfs/dbraw/zinc/25/02/31/453250231.db2.gz DNRNCYWKFSDNSJ-ULQDDVLXSA-N 2 1 325.497 1.757 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648788788 453276864 /nfs/dbraw/zinc/27/68/64/453276864.db2.gz XAKFQBOWCRWRDR-GVDBMIGSSA-N 2 1 345.491 1.049 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648788788 453276873 /nfs/dbraw/zinc/27/68/73/453276873.db2.gz XAKFQBOWCRWRDR-GVDBMIGSSA-N 2 1 345.491 1.049 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)COCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000646277761 453283699 /nfs/dbraw/zinc/28/36/99/453283699.db2.gz JAWXUFQPUJDRTB-BLLLJJGKSA-N 2 1 343.830 1.563 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662557739 453286261 /nfs/dbraw/zinc/28/62/61/453286261.db2.gz MREZCWUKFHUNJD-VXNVDRBHSA-N 2 1 344.278 1.842 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666973431 453290316 /nfs/dbraw/zinc/29/03/16/453290316.db2.gz VEUBNIWTVUSGMS-DLBZAZTESA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@H]1C[NH3+] ZINC000662574502 453300919 /nfs/dbraw/zinc/30/09/19/453300919.db2.gz NQNPWKFYXIGUCI-GYSYKLTISA-N 2 1 340.265 1.892 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000648856724 453333459 /nfs/dbraw/zinc/33/34/59/453333459.db2.gz YQOKLIJKJHEGBU-SJLPKXTDSA-N 2 1 337.508 1.678 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000662659559 453373577 /nfs/dbraw/zinc/37/35/77/453373577.db2.gz SLRZWBIKYFCAPC-KRWDZBQOSA-N 2 1 331.460 1.140 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662680655 453399565 /nfs/dbraw/zinc/39/95/65/453399565.db2.gz XUCMIWIEYOQBEE-INIZCTEOSA-N 2 1 341.377 1.703 20 0 EDADMP CC1(C)CN(CCNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CCO1 ZINC000662700014 453420209 /nfs/dbraw/zinc/42/02/09/453420209.db2.gz FTXRGSAQPMZPAL-AWEZNQCLSA-N 2 1 327.375 1.192 20 0 EDADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662792959 453527577 /nfs/dbraw/zinc/52/75/77/453527577.db2.gz PQVDCKXJWXTQEG-HOCLYGCPSA-N 2 1 334.468 1.005 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662792959 453527583 /nfs/dbraw/zinc/52/75/83/453527583.db2.gz PQVDCKXJWXTQEG-HOCLYGCPSA-N 2 1 334.468 1.005 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662802064 453537512 /nfs/dbraw/zinc/53/75/12/453537512.db2.gz XONGZUAYCCFACP-HNNXBMFYSA-N 2 1 345.451 1.260 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)NCCCC[N@@H+](C)C2CC2)CCO1 ZINC000665079671 453566881 /nfs/dbraw/zinc/56/68/81/453566881.db2.gz CZIWPMJHHIUGJG-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP CC[C@]1(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CCC[NH2+]1 ZINC000662857896 453574223 /nfs/dbraw/zinc/57/42/23/453574223.db2.gz CRNDLRSCVHZTQU-IEBWSBKVSA-N 2 1 331.460 1.402 20 0 EDADMP [NH3+][C@@H](C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000662860654 453576207 /nfs/dbraw/zinc/57/62/07/453576207.db2.gz SSNCNVRYCXGHLU-RBUKOAKNSA-N 2 1 339.439 1.569 20 0 EDADMP [NH3+]Cc1ccc(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)o1 ZINC000662861090 453576526 /nfs/dbraw/zinc/57/65/26/453576526.db2.gz XEDHJIFUADQQJL-HNNXBMFYSA-N 2 1 329.400 1.235 20 0 EDADMP CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900528 453593839 /nfs/dbraw/zinc/59/38/39/453593839.db2.gz MXNOPQAFJLBDQB-RGPMPMONSA-N 2 1 348.535 1.534 20 0 EDADMP CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900528 453593840 /nfs/dbraw/zinc/59/38/40/453593840.db2.gz MXNOPQAFJLBDQB-RGPMPMONSA-N 2 1 348.535 1.534 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000659095569 453628665 /nfs/dbraw/zinc/62/86/65/453628665.db2.gz FFHKXEKLMTYDGN-HNNXBMFYSA-N 2 1 330.432 1.217 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662972479 453631092 /nfs/dbraw/zinc/63/10/92/453631092.db2.gz JOSNMSSNMYDJKU-RHSMWYFYSA-N 2 1 335.448 1.264 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC[C@H]1F ZINC000659385072 453735547 /nfs/dbraw/zinc/73/55/47/453735547.db2.gz NFWXQNHLYQBDAB-HTQZYQBOSA-N 2 1 348.241 1.625 20 0 EDADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665556557 453749299 /nfs/dbraw/zinc/74/92/99/453749299.db2.gz ZKTXNMDGAYSTOE-HZPDHXFCSA-N 2 1 340.512 1.611 20 0 EDADMP Cc1ccncc1[C@@H](C)[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000679942395 486678226 /nfs/dbraw/zinc/67/82/26/486678226.db2.gz NHDAMZJPFKHIKS-IAGOWNOFSA-N 2 1 348.491 1.514 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CCOCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000384940342 486687811 /nfs/dbraw/zinc/68/78/11/486687811.db2.gz CKEAFYNRJALPBS-OALUTQOASA-N 2 1 345.487 1.783 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676243568 486704006 /nfs/dbraw/zinc/70/40/06/486704006.db2.gz ZZTVVIPQQSRXFB-GDBMZVCRSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676243568 486704007 /nfs/dbraw/zinc/70/40/07/486704007.db2.gz ZZTVVIPQQSRXFB-GDBMZVCRSA-N 2 1 326.485 1.125 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cnn1C ZINC000667436576 486781124 /nfs/dbraw/zinc/78/11/24/486781124.db2.gz JCRWUAYBLHVCHN-HNNXBMFYSA-N 2 1 336.484 1.608 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000672961508 486856146 /nfs/dbraw/zinc/85/61/46/486856146.db2.gz DBVGPTYITACYDJ-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000672961508 486856153 /nfs/dbraw/zinc/85/61/53/486856153.db2.gz DBVGPTYITACYDJ-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000667754225 486950859 /nfs/dbraw/zinc/95/08/59/486950859.db2.gz PKQHVIRSBNRFDG-UHFFFAOYSA-N 2 1 345.491 1.480 20 0 EDADMP C[C@]1(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)NC(=O)NC1=O ZINC000677237860 487018195 /nfs/dbraw/zinc/01/81/95/487018195.db2.gz ODGHTYYHUDBPCO-GPMSIDNRSA-N 2 1 342.443 1.458 20 0 EDADMP Cn1ncc(C2CC2)c1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000668189981 487135700 /nfs/dbraw/zinc/13/57/00/487135700.db2.gz WKKGIOSAEWFKJX-UHFFFAOYSA-N 2 1 333.480 1.379 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[NH+]1C ZINC000681764732 487162195 /nfs/dbraw/zinc/16/21/95/487162195.db2.gz DXVYJABPRQWUIV-UYAOXDASSA-N 2 1 345.487 1.566 20 0 EDADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000681764732 487162203 /nfs/dbraw/zinc/16/22/03/487162203.db2.gz DXVYJABPRQWUIV-UYAOXDASSA-N 2 1 345.487 1.566 20 0 EDADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000681764732 487162209 /nfs/dbraw/zinc/16/22/09/487162209.db2.gz DXVYJABPRQWUIV-UYAOXDASSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000677904178 487197221 /nfs/dbraw/zinc/19/72/21/487197221.db2.gz GPWCXNXXDRSSOU-SQNIBIBYSA-N 2 1 345.487 1.784 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000677904178 487197223 /nfs/dbraw/zinc/19/72/23/487197223.db2.gz GPWCXNXXDRSSOU-SQNIBIBYSA-N 2 1 345.487 1.784 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)c2ccccc2O1 ZINC000678048354 487234379 /nfs/dbraw/zinc/23/43/79/487234379.db2.gz ODVUASXQJPWRKL-HUUCEWRRSA-N 2 1 349.500 1.780 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)c2ccccc2O1 ZINC000678048354 487234383 /nfs/dbraw/zinc/23/43/83/487234383.db2.gz ODVUASXQJPWRKL-HUUCEWRRSA-N 2 1 349.500 1.780 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)CC1 ZINC000678635078 487346076 /nfs/dbraw/zinc/34/60/76/487346076.db2.gz BHGCKBZQQZZOIY-SJORKVTESA-N 2 1 337.508 1.726 20 0 EDADMP CN(C(=O)N[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000675575031 487424872 /nfs/dbraw/zinc/42/48/72/487424872.db2.gz KBVSFULFJYVHFL-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C(=O)N[C@@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000675575031 487424875 /nfs/dbraw/zinc/42/48/75/487424875.db2.gz KBVSFULFJYVHFL-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C(=O)N[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000675575031 487424877 /nfs/dbraw/zinc/42/48/77/487424877.db2.gz KBVSFULFJYVHFL-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP CC[C@@]1([NH2+]CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CCOC1 ZINC000683042819 487445547 /nfs/dbraw/zinc/44/55/47/487445547.db2.gz VLNQSVUIJXYSMW-HXUWFJFHSA-N 2 1 345.487 1.798 20 0 EDADMP C[C@H]([NH3+])CNC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000669536278 485517207 /nfs/dbraw/zinc/51/72/07/485517207.db2.gz NOMYIJVBXDIOJE-ZDUSSCGKSA-N 2 1 339.871 1.108 20 0 EDADMP Cc1ccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)c(N2CCCC2)[nH+]1 ZINC000669555744 485557678 /nfs/dbraw/zinc/55/76/78/485557678.db2.gz DXUYODZWSRSUNX-HNNXBMFYSA-N 2 1 331.464 1.789 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000669561091 485568216 /nfs/dbraw/zinc/56/82/16/485568216.db2.gz FYXVOBNSWSRUDW-ONIAQPFYSA-N 2 1 346.475 1.265 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CCC(C)([NH3+])CC1)[NH+]1CCOCC1 ZINC000669031476 485579629 /nfs/dbraw/zinc/57/96/29/485579629.db2.gz INVHYNFGIKUJQF-MRXNPFEDSA-N 2 1 340.512 1.646 20 0 EDADMP FC(F)(F)CN1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000674882477 485698559 /nfs/dbraw/zinc/69/85/59/485698559.db2.gz NVWRHGGLWOINKI-GJZGRUSLSA-N 2 1 335.414 1.856 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC000669365980 486013119 /nfs/dbraw/zinc/01/31/19/486013119.db2.gz WHSBRNZPOLUKLD-PMPSAXMXSA-N 2 1 326.485 1.399 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000669418543 486137861 /nfs/dbraw/zinc/13/78/61/486137861.db2.gz YWFMIOXXQAHYSQ-AYBZRNKSSA-N 2 1 342.487 1.827 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@@H]1CCCC[NH2+]1 ZINC000669459255 486213356 /nfs/dbraw/zinc/21/33/56/486213356.db2.gz ZZLWYBPJCJEATM-OALUTQOASA-N 2 1 344.503 1.992 20 0 EDADMP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1ccccc1OC ZINC000669508817 486291505 /nfs/dbraw/zinc/29/15/05/486291505.db2.gz QDNYTBZHCFUGRX-PBHICJAKSA-N 2 1 329.400 1.520 20 0 EDADMP COCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(C)cc1C ZINC000669928112 486514493 /nfs/dbraw/zinc/51/44/93/486514493.db2.gz GGUQTFMWMYBIJA-UHFFFAOYSA-N 2 1 347.503 1.916 20 0 EDADMP COCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(C)cc1C ZINC000669928112 486514496 /nfs/dbraw/zinc/51/44/96/486514496.db2.gz GGUQTFMWMYBIJA-UHFFFAOYSA-N 2 1 347.503 1.916 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000119212122 490995289 /nfs/dbraw/zinc/99/52/89/490995289.db2.gz CVRMQTIIXNMXAK-ZOBUZTSGSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000119212122 490995290 /nfs/dbraw/zinc/99/52/90/490995290.db2.gz CVRMQTIIXNMXAK-ZOBUZTSGSA-N 2 1 338.496 1.268 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cc2)CC1 ZINC000192467275 491005000 /nfs/dbraw/zinc/00/50/00/491005000.db2.gz RCKRTDNSIUMUCF-HDICACEKSA-N 2 1 342.487 1.462 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H]1CC ZINC000168076499 528735401 /nfs/dbraw/zinc/73/54/01/528735401.db2.gz LUTUKYBKGAIHJZ-GOSISDBHSA-N 2 1 345.487 1.442 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H]1CC ZINC000168076499 528735407 /nfs/dbraw/zinc/73/54/07/528735407.db2.gz LUTUKYBKGAIHJZ-GOSISDBHSA-N 2 1 345.487 1.442 20 0 EDADMP CC(C)NC(=O)CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171304638 529120209 /nfs/dbraw/zinc/12/02/09/529120209.db2.gz MOXNHYDYVGBCRF-IYBDPMFKSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000347635372 535112465 /nfs/dbraw/zinc/11/24/65/535112465.db2.gz PDSPVUZTGQFYOM-ZWKOTPCHSA-N 2 1 331.460 1.174 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000345547852 535322002 /nfs/dbraw/zinc/32/20/02/535322002.db2.gz CMPDRQNCKBADOV-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CCCn1c(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)nc2ccccc21 ZINC000347100695 535589649 /nfs/dbraw/zinc/58/96/49/535589649.db2.gz LWOUVSWLUQYFNZ-OAHLLOKOSA-N 2 1 343.475 1.733 20 0 EDADMP CC[N@@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000270810309 535774281 /nfs/dbraw/zinc/77/42/81/535774281.db2.gz GWFXXNWPFLHCJA-MJGOQNOKSA-N 2 1 345.487 1.470 20 0 EDADMP CC[NH+](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000270810309 535774283 /nfs/dbraw/zinc/77/42/83/535774283.db2.gz GWFXXNWPFLHCJA-MJGOQNOKSA-N 2 1 345.487 1.470 20 0 EDADMP CC[NH+](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000270810309 535774288 /nfs/dbraw/zinc/77/42/88/535774288.db2.gz GWFXXNWPFLHCJA-MJGOQNOKSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000262444696 536383043 /nfs/dbraw/zinc/38/30/43/536383043.db2.gz VHSFVZSFBGGCFQ-ROUUACIJSA-N 2 1 341.459 1.461 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000262444696 536383048 /nfs/dbraw/zinc/38/30/48/536383048.db2.gz VHSFVZSFBGGCFQ-ROUUACIJSA-N 2 1 341.459 1.461 20 0 EDADMP CCn1cc(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1 ZINC000726127462 578334202 /nfs/dbraw/zinc/33/42/02/578334202.db2.gz MZDVJDDOKGIBLE-UHFFFAOYSA-N 2 1 345.476 1.859 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759900784 580018590 /nfs/dbraw/zinc/01/85/90/580018590.db2.gz QVOBIZFVWNVSDR-HNNXBMFYSA-N 2 1 325.416 1.725 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759900784 580018591 /nfs/dbraw/zinc/01/85/91/580018591.db2.gz QVOBIZFVWNVSDR-HNNXBMFYSA-N 2 1 325.416 1.725 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730733859 578656269 /nfs/dbraw/zinc/65/62/69/578656269.db2.gz FAYMRZNGVUQXLH-MRXNPFEDSA-N 2 1 340.537 1.143 20 0 EDADMP C[NH+](C)CC(C)(C)CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000736761342 579017587 /nfs/dbraw/zinc/01/75/87/579017587.db2.gz DMFRHPNHOIJMTK-UHFFFAOYSA-N 2 1 325.420 1.837 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@H](O)C[C@@H]3C)cc2)CC1 ZINC000761113487 580048542 /nfs/dbraw/zinc/04/85/42/580048542.db2.gz PJBQIMHFPUAASX-MAUKXSAKSA-N 2 1 346.475 1.222 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3C[C@H](O)C[C@@H]3C)cc2)CC1 ZINC000761113487 580048543 /nfs/dbraw/zinc/04/85/43/580048543.db2.gz PJBQIMHFPUAASX-MAUKXSAKSA-N 2 1 346.475 1.222 20 0 EDADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000738878653 579088176 /nfs/dbraw/zinc/08/81/76/579088176.db2.gz WWMKTDYLOLDQPT-JKSUJKDBSA-N 2 1 329.448 1.365 20 0 EDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000738878653 579088177 /nfs/dbraw/zinc/08/81/77/579088177.db2.gz WWMKTDYLOLDQPT-JKSUJKDBSA-N 2 1 329.448 1.365 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000739447011 579206673 /nfs/dbraw/zinc/20/66/73/579206673.db2.gz ACJPNIJRPVJMSY-INIZCTEOSA-N 2 1 340.537 1.001 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000745824509 579564354 /nfs/dbraw/zinc/56/43/54/579564354.db2.gz JNEOCOFLXZZTGE-HYVNUMGLSA-N 2 1 338.496 1.412 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](C2CCOCC2)CC1 ZINC000747671306 579653193 /nfs/dbraw/zinc/65/31/93/579653193.db2.gz SUEWQDZBMBHOFY-MRXNPFEDSA-N 2 1 340.537 1.142 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000749334283 579722104 /nfs/dbraw/zinc/72/21/04/579722104.db2.gz DKBPDWZCJUTTPJ-PMPSAXMXSA-N 2 1 341.496 1.678 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000749334283 579722105 /nfs/dbraw/zinc/72/21/05/579722105.db2.gz DKBPDWZCJUTTPJ-PMPSAXMXSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CSCCS2)CC1 ZINC000750992799 579790353 /nfs/dbraw/zinc/79/03/53/579790353.db2.gz AZSRGENVHOISED-CQSZACIVSA-N 2 1 338.502 1.621 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000752106920 579838557 /nfs/dbraw/zinc/83/85/57/579838557.db2.gz LXCUUUKKOGZNPJ-QGZVFWFLSA-N 2 1 334.464 1.685 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCSC1 ZINC000764271104 580116847 /nfs/dbraw/zinc/11/68/47/580116847.db2.gz JAJRNEWPXNQYNN-JKSUJKDBSA-N 2 1 341.521 1.183 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000764505706 580122153 /nfs/dbraw/zinc/12/21/53/580122153.db2.gz YBKXDKRERMSHJW-INIZCTEOSA-N 2 1 347.532 1.871 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000764505706 580122154 /nfs/dbraw/zinc/12/21/54/580122154.db2.gz YBKXDKRERMSHJW-INIZCTEOSA-N 2 1 347.532 1.871 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nnc3ccccn32)[C@@H](C)C1 ZINC000764639574 580125367 /nfs/dbraw/zinc/12/53/67/580125367.db2.gz QIXGELMCNTYBFI-IRXDYDNUSA-N 2 1 345.491 1.998 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=S)NCCC[NH+](C)C ZINC000764931545 580131535 /nfs/dbraw/zinc/13/15/35/580131535.db2.gz PYAXPZAIRISDFG-RDJZCZTQSA-N 2 1 334.533 1.923 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cnn(-c2ccccc2)c1 ZINC000765738476 580150214 /nfs/dbraw/zinc/15/02/14/580150214.db2.gz FBPPQDGWTMAKGH-INIZCTEOSA-N 2 1 341.459 1.687 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+](C)CC(=O)NCc2ccco2)cc1 ZINC000768193163 580208557 /nfs/dbraw/zinc/20/85/57/580208557.db2.gz CMSQZQRJJXXEBS-UHFFFAOYSA-N 2 1 345.443 1.968 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CC(=O)NCc2ccco2)cc1 ZINC000768193163 580208558 /nfs/dbraw/zinc/20/85/58/580208558.db2.gz CMSQZQRJJXXEBS-UHFFFAOYSA-N 2 1 345.443 1.968 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)CC(=O)NC)CC1 ZINC000768303314 580210433 /nfs/dbraw/zinc/21/04/33/580210433.db2.gz RJVHMCGPKVJVSU-UHFFFAOYSA-N 2 1 332.492 1.787 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CC)CC(=O)NC)CC1 ZINC000768303314 580210434 /nfs/dbraw/zinc/21/04/34/580210434.db2.gz RJVHMCGPKVJVSU-UHFFFAOYSA-N 2 1 332.492 1.787 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000773174269 580329629 /nfs/dbraw/zinc/32/96/29/580329629.db2.gz ZPGZCZSQLFAIOC-UHFFFAOYSA-N 2 1 340.537 1.047 20 0 EDADMP CC[NH+]1CCN(c2nc(C)nc(N3CC[N@H+](CC)[C@@H](C)C3)n2)C[C@@H]1C ZINC000775513759 580392733 /nfs/dbraw/zinc/39/27/33/580392733.db2.gz LYFORVNOBCEEPF-GJZGRUSLSA-N 2 1 347.511 1.241 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2nnc(-c3ccccc3)o2)C1 ZINC000779647772 580492592 /nfs/dbraw/zinc/49/25/92/580492592.db2.gz BKIYGLRRIRRKIO-CQSZACIVSA-N 2 1 345.403 1.844 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2nnc(-c3ccccc3)o2)C1 ZINC000779647772 580492593 /nfs/dbraw/zinc/49/25/93/580492593.db2.gz BKIYGLRRIRRKIO-CQSZACIVSA-N 2 1 345.403 1.844 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000779649091 580492647 /nfs/dbraw/zinc/49/26/47/580492647.db2.gz HHPLYUFDCWVGHQ-ZNMIVQPWSA-N 2 1 340.468 1.384 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000779649091 580492648 /nfs/dbraw/zinc/49/26/48/580492648.db2.gz HHPLYUFDCWVGHQ-ZNMIVQPWSA-N 2 1 340.468 1.384 20 0 EDADMP Cc1ccc(NC(=O)CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000779651325 580492901 /nfs/dbraw/zinc/49/29/01/580492901.db2.gz PSPOBAYCBRHUCM-OAHLLOKOSA-N 2 1 334.420 1.541 20 0 EDADMP Cc1ccc(NC(=O)CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)cc1 ZINC000779651325 580492902 /nfs/dbraw/zinc/49/29/02/580492902.db2.gz PSPOBAYCBRHUCM-OAHLLOKOSA-N 2 1 334.420 1.541 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccn(-c3ccccc3)n2)C1 ZINC000779656289 580493664 /nfs/dbraw/zinc/49/36/64/580493664.db2.gz XCNADZVTACBALN-QGZVFWFLSA-N 2 1 343.431 1.980 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccn(-c3ccccc3)n2)C1 ZINC000779656289 580493665 /nfs/dbraw/zinc/49/36/65/580493665.db2.gz XCNADZVTACBALN-QGZVFWFLSA-N 2 1 343.431 1.980 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC=CO1 ZINC000780748197 580532884 /nfs/dbraw/zinc/53/28/84/580532884.db2.gz KQXXZONUUJBXAO-DLBZAZTESA-N 2 1 338.496 1.737 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC000781215947 580544521 /nfs/dbraw/zinc/54/45/21/580544521.db2.gz VLARMTUNUQTKOF-INIZCTEOSA-N 2 1 325.497 1.556 20 0 EDADMP C[C@@]1(CNC(=O)NCC[NH+]2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798482750 580998841 /nfs/dbraw/zinc/99/88/41/580998841.db2.gz MOKOJVKCOJHQIV-IBGZPJMESA-N 2 1 330.476 1.904 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CCCCCC[NH3+])CCCO1 ZINC000891855285 590656402 /nfs/dbraw/zinc/65/64/02/590656402.db2.gz IHQCOJAVIIWOJK-MRXNPFEDSA-N 2 1 328.501 1.648 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC2(C[NH3+])CCCCC2)CCCO1 ZINC000891856007 590657264 /nfs/dbraw/zinc/65/72/64/590657264.db2.gz NPDQDYSDQVAQNY-OAHLLOKOSA-N 2 1 326.485 1.448 20 0 EDADMP C[C@@]1(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000891875229 590665377 /nfs/dbraw/zinc/66/53/77/590665377.db2.gz UEGBFFPFQADQJT-LNLFQRSKSA-N 2 1 330.476 1.935 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)NCC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000891881534 590668109 /nfs/dbraw/zinc/66/81/09/590668109.db2.gz GXECGOOCRZDMGL-QZTJIDSGSA-N 2 1 328.460 1.390 20 0 EDADMP C[NH+]1C[C@H]2CCN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000891881534 590668114 /nfs/dbraw/zinc/66/81/14/590668114.db2.gz GXECGOOCRZDMGL-QZTJIDSGSA-N 2 1 328.460 1.390 20 0 EDADMP C[NH+]1C[C@H]2CCN(C(=O)NCC[N@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000891881534 590668115 /nfs/dbraw/zinc/66/81/15/590668115.db2.gz GXECGOOCRZDMGL-QZTJIDSGSA-N 2 1 328.460 1.390 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891910981 590682095 /nfs/dbraw/zinc/68/20/95/590682095.db2.gz XEBSNQUQYQXPAE-AVGNSLFASA-N 2 1 338.418 1.885 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000892211728 590865996 /nfs/dbraw/zinc/86/59/96/590865996.db2.gz MDBFWCDPNBGBQZ-FUHWJXTLSA-N 2 1 332.492 1.943 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892342702 590970808 /nfs/dbraw/zinc/97/08/08/590970808.db2.gz MLTGIHDSSUVOOB-KDOFPFPSSA-N 2 1 330.476 1.814 20 0 EDADMP CSc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ncn1 ZINC000888946080 590979952 /nfs/dbraw/zinc/97/99/52/590979952.db2.gz UPKVRQJYNIERQA-LBPRGKRZSA-N 2 1 340.497 1.592 20 0 EDADMP CSc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ncn1 ZINC000888946080 590979954 /nfs/dbraw/zinc/97/99/54/590979954.db2.gz UPKVRQJYNIERQA-LBPRGKRZSA-N 2 1 340.497 1.592 20 0 EDADMP C[C@@H](CNC(=O)NCCC(C)(C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000891361560 591060246 /nfs/dbraw/zinc/06/02/46/591060246.db2.gz RLKHODHXWLCKBX-INIZCTEOSA-N 2 1 347.507 1.624 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000892535354 591063740 /nfs/dbraw/zinc/06/37/40/591063740.db2.gz DHHCNZOYWXLUHM-AEFFLSMTSA-N 2 1 346.475 1.186 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000892535354 591063743 /nfs/dbraw/zinc/06/37/43/591063743.db2.gz DHHCNZOYWXLUHM-AEFFLSMTSA-N 2 1 346.475 1.186 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000892536760 591064896 /nfs/dbraw/zinc/06/48/96/591064896.db2.gz SKNDRAJWBTZNJZ-NVXWUHKLSA-N 2 1 334.464 1.184 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000892536760 591064898 /nfs/dbraw/zinc/06/48/98/591064898.db2.gz SKNDRAJWBTZNJZ-NVXWUHKLSA-N 2 1 334.464 1.184 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000893770734 591091574 /nfs/dbraw/zinc/09/15/74/591091574.db2.gz KHOIZAWXVCBKDX-INIZCTEOSA-N 2 1 340.512 1.110 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891557628 591124103 /nfs/dbraw/zinc/12/41/03/591124103.db2.gz UBCBIOPDKIQOJZ-KSZLIROESA-N 2 1 328.460 1.797 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000891563421 591129722 /nfs/dbraw/zinc/12/97/22/591129722.db2.gz GGJVZTPCLKZRHV-MWDXBVQZSA-N 2 1 338.496 1.269 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000891577874 591132862 /nfs/dbraw/zinc/13/28/62/591132862.db2.gz SVDRLIJRHAKLJR-YOEHRIQHSA-N 2 1 326.485 1.114 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1C(F)(F)F ZINC000891576695 591133173 /nfs/dbraw/zinc/13/31/73/591133173.db2.gz NGIGUWPKCUDJCI-AGIUHOORSA-N 2 1 334.386 1.249 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891597195 591141679 /nfs/dbraw/zinc/14/16/79/591141679.db2.gz MGUBEEKQNRUMSN-OLZOCXBDSA-N 2 1 347.385 1.750 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC[C@@H]2C)C1 ZINC000891597298 591141972 /nfs/dbraw/zinc/14/19/72/591141972.db2.gz GVLFNPQWHPHKQU-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@@H+]2CCC[C@@H]2C)C1 ZINC000891597298 591141975 /nfs/dbraw/zinc/14/19/75/591141975.db2.gz GVLFNPQWHPHKQU-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@H+]2CCC[C@@H]2C)C1 ZINC000891597298 591141978 /nfs/dbraw/zinc/14/19/78/591141978.db2.gz GVLFNPQWHPHKQU-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000893985027 591160423 /nfs/dbraw/zinc/16/04/23/591160423.db2.gz BWHVCJQFJLQLIG-INIZCTEOSA-N 2 1 345.491 1.939 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N3C[C@H]([NH3+])C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000891650859 591167837 /nfs/dbraw/zinc/16/78/37/591167837.db2.gz VBHHNJDSVMQMDK-GXTWGEPZSA-N 2 1 332.452 1.193 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000891672427 591178004 /nfs/dbraw/zinc/17/80/04/591178004.db2.gz ALNWGNOVQCIMIJ-OWLYRPNTSA-N 2 1 328.460 1.795 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892789089 591179330 /nfs/dbraw/zinc/17/93/30/591179330.db2.gz NGTBYOYVLBNEEK-SJORKVTESA-N 2 1 330.476 1.873 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891685934 591185347 /nfs/dbraw/zinc/18/53/47/591185347.db2.gz UISREHVRSROHBY-VVLHAWIVSA-N 2 1 336.480 1.166 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892801836 591186412 /nfs/dbraw/zinc/18/64/12/591186412.db2.gz BWKGCLISOMGTKQ-GOSISDBHSA-N 2 1 341.459 1.938 20 0 EDADMP CCN(C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1CC[NH2+]C1 ZINC000891766520 591216797 /nfs/dbraw/zinc/21/67/97/591216797.db2.gz TVLXCQQYGVIGLB-MSOLQXFVSA-N 2 1 346.475 1.147 20 0 EDADMP CN1CC[N@@H+](CC2CC[NH+](C)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000894284719 591265762 /nfs/dbraw/zinc/26/57/62/591265762.db2.gz KLDCUNLMPJBSFC-MRXNPFEDSA-N 2 1 340.512 1.469 20 0 EDADMP COC(=O)[C@@H]1[C@H](C[NH2+]C2CC[NH+](CCOC(C)C)CC2)C1(F)F ZINC000894324389 591278989 /nfs/dbraw/zinc/27/89/89/591278989.db2.gz ZOVNXCMZQLBRMA-KBPBESRZSA-N 2 1 334.407 1.520 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000895874928 591292241 /nfs/dbraw/zinc/29/22/41/591292241.db2.gz KEXNARYIFRKYSF-VVLHAWIVSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000895874928 591292242 /nfs/dbraw/zinc/29/22/42/591292242.db2.gz KEXNARYIFRKYSF-VVLHAWIVSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000895874928 591292243 /nfs/dbraw/zinc/29/22/43/591292243.db2.gz KEXNARYIFRKYSF-VVLHAWIVSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000895874928 591292244 /nfs/dbraw/zinc/29/22/44/591292244.db2.gz KEXNARYIFRKYSF-VVLHAWIVSA-N 2 1 337.508 1.959 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000895899120 591299515 /nfs/dbraw/zinc/29/95/15/591299515.db2.gz FWASUTUBSBTYGK-RCCFBDPRSA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000895899120 591299516 /nfs/dbraw/zinc/29/95/16/591299516.db2.gz FWASUTUBSBTYGK-RCCFBDPRSA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000895899120 591299517 /nfs/dbraw/zinc/29/95/17/591299517.db2.gz FWASUTUBSBTYGK-RCCFBDPRSA-N 2 1 328.460 1.606 20 0 EDADMP CCc1c(C)nc2ncnn2c1N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000894494021 591326015 /nfs/dbraw/zinc/32/60/15/591326015.db2.gz ATDLCFVZPHHCDS-ZDUSSCGKSA-N 2 1 333.484 1.679 20 0 EDADMP CN1CCC[C@H]1c1cc(C(=O)N2CCC[C@@H](n3ccnc3)C2)[nH]n1 ZINC000896153888 591366418 /nfs/dbraw/zinc/36/64/18/591366418.db2.gz ZWSLPMLGXBOOGG-CJNGLKHVSA-N 2 1 328.420 1.850 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000897442781 591454486 /nfs/dbraw/zinc/45/44/86/591454486.db2.gz IYQLETIDVBRJOF-NUJGCVRESA-N 2 1 334.508 1.987 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000897442781 591454489 /nfs/dbraw/zinc/45/44/89/591454489.db2.gz IYQLETIDVBRJOF-NUJGCVRESA-N 2 1 334.508 1.987 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000897442781 591454491 /nfs/dbraw/zinc/45/44/91/591454491.db2.gz IYQLETIDVBRJOF-NUJGCVRESA-N 2 1 334.508 1.987 20 0 EDADMP Cc1ccc(C[N@H+]2CCO[C@H](CNc3cc[nH+]cc3CO)C2)cc1 ZINC000895017239 591524597 /nfs/dbraw/zinc/52/45/97/591524597.db2.gz BSCZNMUFQNCOKH-GOSISDBHSA-N 2 1 327.428 1.617 20 0 EDADMP CC[N@@H+](CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)CCC(F)(F)F ZINC000897561001 591554771 /nfs/dbraw/zinc/55/47/71/591554771.db2.gz VKXBBKXZESCSFS-CYBMUJFWSA-N 2 1 337.386 1.098 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1 ZINC000897624256 591592241 /nfs/dbraw/zinc/59/22/41/591592241.db2.gz FHFYMIZDDDUPAC-LPHOPBHVSA-N 2 1 331.460 1.714 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896749615 591602636 /nfs/dbraw/zinc/60/26/36/591602636.db2.gz UIQGBEIUXPFQQU-MRXNPFEDSA-N 2 1 326.485 1.317 20 0 EDADMP Cc1nc2ccccn2c1CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000898961816 591618291 /nfs/dbraw/zinc/61/82/91/591618291.db2.gz KPAKPVHSFUGKTM-OKILXGFUSA-N 2 1 345.447 1.239 20 0 EDADMP Cc1nc2ccccn2c1CNC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000898961816 591618293 /nfs/dbraw/zinc/61/82/93/591618293.db2.gz KPAKPVHSFUGKTM-OKILXGFUSA-N 2 1 345.447 1.239 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1N=NC(=O)N1C ZINC000895183332 591646752 /nfs/dbraw/zinc/64/67/52/591646752.db2.gz ILUQQMDCJXTURA-CQSZACIVSA-N 2 1 345.447 1.846 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000897865029 591698743 /nfs/dbraw/zinc/69/87/43/591698743.db2.gz VINHAXNPRKYCSE-MSOLQXFVSA-N 2 1 345.487 1.395 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)C1C[NH+](C2CCOCC2)C1 ZINC000899129867 591698809 /nfs/dbraw/zinc/69/88/09/591698809.db2.gz LIFCMMDCJPBRCT-GOSISDBHSA-N 2 1 335.492 1.620 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)[C@@H]1c1ccccc1 ZINC000897879374 591704078 /nfs/dbraw/zinc/70/40/78/591704078.db2.gz GBWHZMHVGWIUCX-FHWLQOOXSA-N 2 1 345.487 1.642 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CCCO)C2)[C@@H]1c1ccccc1 ZINC000897879374 591704082 /nfs/dbraw/zinc/70/40/82/591704082.db2.gz GBWHZMHVGWIUCX-FHWLQOOXSA-N 2 1 345.487 1.642 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)[C@@H]1c1ccccc1 ZINC000897879374 591704086 /nfs/dbraw/zinc/70/40/86/591704086.db2.gz GBWHZMHVGWIUCX-FHWLQOOXSA-N 2 1 345.487 1.642 20 0 EDADMP COc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)cc(Cl)c1OCC(N)=O ZINC000895300581 591705636 /nfs/dbraw/zinc/70/56/36/591705636.db2.gz ZZFPYPMZSXVMLL-NSHDSACASA-N 2 1 343.855 1.643 20 0 EDADMP O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000898298704 591863298 /nfs/dbraw/zinc/86/32/98/591863298.db2.gz SODPUGAHZNOOAI-GOSISDBHSA-N 2 1 337.427 1.576 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000900189296 591934445 /nfs/dbraw/zinc/93/44/45/591934445.db2.gz XTZBGMWEMHIQOP-SFHVURJKSA-N 2 1 338.540 1.783 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C[C@@H]([C@H]4CCCO4)CC3=O)C2)CC1 ZINC000902201299 591944499 /nfs/dbraw/zinc/94/44/99/591944499.db2.gz LUNDUULRTCKBIW-FGTMMUONSA-N 2 1 335.492 1.635 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900214851 591945262 /nfs/dbraw/zinc/94/52/62/591945262.db2.gz IJXBRBANLTXLOD-LMMKCTJWSA-N 2 1 339.524 1.708 20 0 EDADMP C[NH+](C)CCN(CCc1ccccc1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900260246 591963971 /nfs/dbraw/zinc/96/39/71/591963971.db2.gz AJOGNVNSBXNMNW-FQEVSTJZSA-N 2 1 347.503 1.466 20 0 EDADMP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000899909263 591975384 /nfs/dbraw/zinc/97/53/84/591975384.db2.gz NYVMGZNPDYWWJX-IBGZPJMESA-N 2 1 331.460 1.178 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000899909263 591975386 /nfs/dbraw/zinc/97/53/86/591975386.db2.gz NYVMGZNPDYWWJX-IBGZPJMESA-N 2 1 331.460 1.178 20 0 EDADMP C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1([NH3+])CC1 ZINC000902347233 591978268 /nfs/dbraw/zinc/97/82/68/591978268.db2.gz HPIPPNXSBMEUGV-WMLDXEAASA-N 2 1 330.476 1.353 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1([NH3+])CC1 ZINC000902347233 591978270 /nfs/dbraw/zinc/97/82/70/591978270.db2.gz HPIPPNXSBMEUGV-WMLDXEAASA-N 3 1 330.476 1.353 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1([NH3+])CC1 ZINC000902347233 591978272 /nfs/dbraw/zinc/97/82/72/591978272.db2.gz HPIPPNXSBMEUGV-WMLDXEAASA-N 3 1 330.476 1.353 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1(N)CC1 ZINC000902347233 591978274 /nfs/dbraw/zinc/97/82/74/591978274.db2.gz HPIPPNXSBMEUGV-WMLDXEAASA-N 2 1 330.476 1.353 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1(N)CC1 ZINC000902347233 591978277 /nfs/dbraw/zinc/97/82/77/591978277.db2.gz HPIPPNXSBMEUGV-WMLDXEAASA-N 2 1 330.476 1.353 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000900411009 592011314 /nfs/dbraw/zinc/01/13/14/592011314.db2.gz AMJHMJQMJXWTFE-GOSISDBHSA-N 2 1 336.524 1.489 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)nc1NC ZINC000900480118 592030368 /nfs/dbraw/zinc/03/03/68/592030368.db2.gz BVRKCXMGSQRTPY-MRXNPFEDSA-N 2 1 347.507 1.920 20 0 EDADMP CC[NH+]1CCC(n2nccc2NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900523083 592035878 /nfs/dbraw/zinc/03/58/78/592035878.db2.gz YMUFKUSOBKTDDZ-SFHVURJKSA-N 2 1 349.479 1.325 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000900722644 592105198 /nfs/dbraw/zinc/10/51/98/592105198.db2.gz VGFACRKCPXPWGL-ZHALLVOQSA-N 2 1 331.460 1.222 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000900722644 592105200 /nfs/dbraw/zinc/10/52/00/592105200.db2.gz VGFACRKCPXPWGL-ZHALLVOQSA-N 2 1 331.460 1.222 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000900722644 592105204 /nfs/dbraw/zinc/10/52/04/592105204.db2.gz VGFACRKCPXPWGL-ZHALLVOQSA-N 2 1 331.460 1.222 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000900722644 592105205 /nfs/dbraw/zinc/10/52/05/592105205.db2.gz VGFACRKCPXPWGL-ZHALLVOQSA-N 2 1 331.460 1.222 20 0 EDADMP CCCn1cc([C@H](C)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)nn1 ZINC000903110691 592121538 /nfs/dbraw/zinc/12/15/38/592121538.db2.gz BSZUROYPAKOKAI-QBBQCFRVSA-N 2 1 335.496 1.818 20 0 EDADMP CCCn1cc([C@H](C)[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)nn1 ZINC000903110691 592121540 /nfs/dbraw/zinc/12/15/40/592121540.db2.gz BSZUROYPAKOKAI-QBBQCFRVSA-N 2 1 335.496 1.818 20 0 EDADMP CCCn1cc([C@H](C)[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)nn1 ZINC000903110691 592121541 /nfs/dbraw/zinc/12/15/41/592121541.db2.gz BSZUROYPAKOKAI-QBBQCFRVSA-N 2 1 335.496 1.818 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)CC1(C)C ZINC000903237006 592142071 /nfs/dbraw/zinc/14/20/71/592142071.db2.gz SSNDUIDZPXERPC-NSHDSACASA-N 2 1 348.369 1.474 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)CC1(C)C ZINC000903237006 592142074 /nfs/dbraw/zinc/14/20/74/592142074.db2.gz SSNDUIDZPXERPC-NSHDSACASA-N 2 1 348.369 1.474 20 0 EDADMP CN1CCOC[C@@]1(CO)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000903280387 592151159 /nfs/dbraw/zinc/15/11/59/592151159.db2.gz NCSKXCHDBGQBSR-SFHVURJKSA-N 2 1 325.497 1.066 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900931238 592177090 /nfs/dbraw/zinc/17/70/90/592177090.db2.gz DXOOTTQIUNBWBS-JQHSSLGASA-N 2 1 337.508 1.555 20 0 EDADMP C(c1noc(C2CCC2)n1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506071 592181805 /nfs/dbraw/zinc/18/18/05/592181805.db2.gz NRBXNLAMWCTJJW-IYBDPMFKSA-N 2 1 331.464 1.738 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)C2 ZINC000903490967 592184404 /nfs/dbraw/zinc/18/44/04/592184404.db2.gz OYGZUPJRVCHRQI-JCGVRSQUSA-N 2 1 349.406 1.285 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCOc1c(C)cccc1C)C2 ZINC000903492399 592185125 /nfs/dbraw/zinc/18/51/25/592185125.db2.gz CCSZBOQXFPEQBS-FCEWJHQRSA-N 2 1 332.444 1.895 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCCO[C@H]2CCCC[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903496938 592188189 /nfs/dbraw/zinc/18/81/89/592188189.db2.gz KTJUXNNPYVDJKE-HZMVEIRTSA-N 2 1 325.497 1.615 20 0 EDADMP Cc1cc(NC(=O)[C@@H](C)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)on1 ZINC000903509350 592189986 /nfs/dbraw/zinc/18/99/86/592189986.db2.gz FWHDJLBRDSEDQI-BMFZPTHFSA-N 2 1 347.463 1.211 20 0 EDADMP COC(=O)[C@H](c1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507438 592198944 /nfs/dbraw/zinc/19/89/44/592198944.db2.gz ZQIMIPIDTWRDDN-BBWFWOEESA-N 2 1 349.500 1.863 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000901026525 592203598 /nfs/dbraw/zinc/20/35/98/592203598.db2.gz MJZAVUZXZLMNML-USSHROBNSA-N 2 1 335.492 1.476 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000907958567 592233523 /nfs/dbraw/zinc/23/35/23/592233523.db2.gz GWODCNNXZKJWED-INIZCTEOSA-N 2 1 339.480 1.206 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906656153 592238032 /nfs/dbraw/zinc/23/80/32/592238032.db2.gz QOFMYVWXXQCODQ-AWEZNQCLSA-N 2 1 332.448 1.274 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@H+]1C ZINC000906663826 592245921 /nfs/dbraw/zinc/24/59/21/592245921.db2.gz HQYYSVBNYDHSCA-OLZOCXBDSA-N 2 1 332.448 1.370 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@@H+]1C ZINC000906663826 592245926 /nfs/dbraw/zinc/24/59/26/592245926.db2.gz HQYYSVBNYDHSCA-OLZOCXBDSA-N 2 1 332.448 1.370 20 0 EDADMP C[C@@]1(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)CC[NH2+]C1 ZINC000904434312 592255807 /nfs/dbraw/zinc/25/58/07/592255807.db2.gz VDJVGCQKYJHYDY-MRXNPFEDSA-N 2 1 329.510 1.266 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cnn1C ZINC000904473877 592268819 /nfs/dbraw/zinc/26/88/19/592268819.db2.gz UXIIVQVZCIEMBH-KURKYZTESA-N 2 1 334.508 1.985 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000904511563 592274916 /nfs/dbraw/zinc/27/49/16/592274916.db2.gz SLTIIIRHHIFQFZ-DLBZAZTESA-N 2 1 332.448 1.469 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000906703329 592276151 /nfs/dbraw/zinc/27/61/51/592276151.db2.gz OQNBLVBABKRVNS-LJQANCHMSA-N 2 1 344.503 1.261 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000906703329 592276154 /nfs/dbraw/zinc/27/61/54/592276154.db2.gz OQNBLVBABKRVNS-LJQANCHMSA-N 2 1 344.503 1.261 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000906703329 592276158 /nfs/dbraw/zinc/27/61/58/592276158.db2.gz OQNBLVBABKRVNS-LJQANCHMSA-N 2 1 344.503 1.261 20 0 EDADMP Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719422 592281670 /nfs/dbraw/zinc/28/16/70/592281670.db2.gz ZNQBXWJZYDELRO-APWZRJJASA-N 2 1 331.460 1.942 20 0 EDADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719422 592281673 /nfs/dbraw/zinc/28/16/73/592281673.db2.gz ZNQBXWJZYDELRO-APWZRJJASA-N 2 1 331.460 1.942 20 0 EDADMP O=C1C[C@H](c2ccccc2)[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903723327 592284056 /nfs/dbraw/zinc/28/40/56/592284056.db2.gz VGOJZQQKTTYQBA-ZHALLVOQSA-N 2 1 329.444 1.318 20 0 EDADMP CC(C)(C)CC(=O)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903725400 592285298 /nfs/dbraw/zinc/28/52/98/592285298.db2.gz ZGTORRYMLJWABB-MRXNPFEDSA-N 2 1 337.508 1.726 20 0 EDADMP C[N@H+](Cc1ccccc1N1CCOCC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732619 592288056 /nfs/dbraw/zinc/28/80/56/592288056.db2.gz FQJXXDWYHVSGPH-UYAOXDASSA-N 2 1 345.487 1.724 20 0 EDADMP Cc1nc(N2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)sc1C ZINC000903753532 592296742 /nfs/dbraw/zinc/29/67/42/592296742.db2.gz VSUUZWNPXCEDLO-RDJZCZTQSA-N 2 1 336.505 1.651 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[C@H]1C(F)(F)F ZINC000903770855 592310980 /nfs/dbraw/zinc/31/09/80/592310980.db2.gz ZOLXECVOEAJZKL-HZSPNIEDSA-N 3 1 335.414 1.604 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[C@H]1C(F)(F)F ZINC000903770855 592310984 /nfs/dbraw/zinc/31/09/84/592310984.db2.gz ZOLXECVOEAJZKL-HZSPNIEDSA-N 3 1 335.414 1.604 20 0 EDADMP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)no1 ZINC000903780507 592320147 /nfs/dbraw/zinc/32/01/47/592320147.db2.gz HUDAELCWDCNXBW-JTTVYXJLSA-N 2 1 332.448 1.857 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000908104964 592321678 /nfs/dbraw/zinc/32/16/78/592321678.db2.gz APFKNQAHMRTRPF-MLYOOKFZSA-N 2 1 345.487 1.641 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000908104964 592321681 /nfs/dbraw/zinc/32/16/81/592321681.db2.gz APFKNQAHMRTRPF-MLYOOKFZSA-N 2 1 345.487 1.641 20 0 EDADMP CCOC(=O)[C@@]1(F)C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1CC ZINC000903783977 592322401 /nfs/dbraw/zinc/32/24/01/592322401.db2.gz ILDLNGJCEMLDAX-HDMKZQKVSA-N 2 1 342.455 1.758 20 0 EDADMP C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)C1(C[NH3+])CCOCC1 ZINC000903807495 592329167 /nfs/dbraw/zinc/32/91/67/592329167.db2.gz FZSRQPHLGXJICK-UHFFFAOYSA-N 2 1 335.404 1.184 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)C1(C[NH3+])CCOCC1 ZINC000903807495 592329172 /nfs/dbraw/zinc/32/91/72/592329172.db2.gz FZSRQPHLGXJICK-UHFFFAOYSA-N 2 1 335.404 1.184 20 0 EDADMP O[C@@H](COc1ccccc1F)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819147 592332551 /nfs/dbraw/zinc/33/25/51/592332551.db2.gz CZGIFQJVOWGRKO-OAHLLOKOSA-N 2 1 338.423 1.410 20 0 EDADMP O[C@@H](COc1ccccc1F)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819147 592332554 /nfs/dbraw/zinc/33/25/54/592332554.db2.gz CZGIFQJVOWGRKO-OAHLLOKOSA-N 2 1 338.423 1.410 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(S(=O)(=O)NC3CC3)cc1)C2 ZINC000903842453 592338849 /nfs/dbraw/zinc/33/88/49/592338849.db2.gz OXUBBCUXRQVUNW-DZKIICNBSA-N 2 1 335.473 1.439 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000903906316 592374149 /nfs/dbraw/zinc/37/41/49/592374149.db2.gz VLQPJFMRJHBIDC-AOIWGVFYSA-N 3 1 340.475 1.377 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000903906316 592374156 /nfs/dbraw/zinc/37/41/56/592374156.db2.gz VLQPJFMRJHBIDC-AOIWGVFYSA-N 3 1 340.475 1.377 20 0 EDADMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903912273 592375121 /nfs/dbraw/zinc/37/51/21/592375121.db2.gz CJMGPNFTAQGAFH-LSDHHAIUSA-N 2 1 329.452 1.316 20 0 EDADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903913933 592376280 /nfs/dbraw/zinc/37/62/80/592376280.db2.gz FTWOWDHKCROJFO-YJBOKZPZSA-N 2 1 349.479 1.614 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@H](c3nccn3C)C2)cnn1C ZINC000903913974 592376404 /nfs/dbraw/zinc/37/64/04/592376404.db2.gz QYDMDMPSDIUQIU-HOTGVXAUSA-N 2 1 330.480 1.459 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH2+][C@]2(CO)CCOc3ccccc32)cnn1C ZINC000903925011 592379388 /nfs/dbraw/zinc/37/93/88/592379388.db2.gz BIRNGJXHTSWGJI-BEFAXECRSA-N 2 1 344.459 1.106 20 0 EDADMP C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903934392 592386071 /nfs/dbraw/zinc/38/60/71/592386071.db2.gz GIJGUFIIWIJIKG-GOOCMWNKSA-N 2 1 345.443 1.859 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc2cc[nH]c2c1 ZINC000905057929 592394714 /nfs/dbraw/zinc/39/47/14/592394714.db2.gz BOJSEKLUTAYDJE-YOEHRIQHSA-N 2 1 329.444 1.982 20 0 EDADMP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc2c1OCCO2 ZINC000903955792 592395282 /nfs/dbraw/zinc/39/52/82/592395282.db2.gz ZEGPNYPWSBSLBN-GFCCVEGCSA-N 2 1 328.359 1.801 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905059933 592396984 /nfs/dbraw/zinc/39/69/84/592396984.db2.gz JQBQHZTTXIAEGC-MOPGFXCFSA-N 2 1 336.476 1.562 20 0 EDADMP Cc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903979986 592400637 /nfs/dbraw/zinc/40/06/37/592400637.db2.gz BCMLTVSLOQMDOT-GASCZTMLSA-N 2 1 337.899 1.783 20 0 EDADMP C[C@](O)(CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(F)(F)C(F)(F)F ZINC000905074258 592403339 /nfs/dbraw/zinc/40/33/39/592403339.db2.gz FVKAUURDEVVYES-MXWKQRLJSA-N 2 1 332.313 1.388 20 0 EDADMP C[C@](O)(CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(F)(F)C(F)(F)F ZINC000905074258 592403342 /nfs/dbraw/zinc/40/33/42/592403342.db2.gz FVKAUURDEVVYES-MXWKQRLJSA-N 2 1 332.313 1.388 20 0 EDADMP C[C@@]1(C[NH2+]C[C@@H](O)C2(O)CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905243986 592474458 /nfs/dbraw/zinc/47/44/58/592474458.db2.gz NYPWUBKCHDTZCX-MOPGFXCFSA-N 2 1 348.487 1.391 20 0 EDADMP C[C@]1(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905244007 592474838 /nfs/dbraw/zinc/47/48/38/592474838.db2.gz OEIZNTACRZHBOR-ZCNNSNEGSA-N 2 1 348.487 1.391 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)Cc1ccccc1F ZINC000905475886 592537289 /nfs/dbraw/zinc/53/72/89/592537289.db2.gz XIPFYHWBQJXCRU-MOPGFXCFSA-N 2 1 346.446 1.812 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)Cc1ccccc1F ZINC000905475886 592537291 /nfs/dbraw/zinc/53/72/91/592537291.db2.gz XIPFYHWBQJXCRU-MOPGFXCFSA-N 2 1 346.446 1.812 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@](C)(O)C(F)F)cc2)CC1 ZINC000905910813 592691489 /nfs/dbraw/zinc/69/14/89/592691489.db2.gz CGNSDMMKCSLEFH-KRWDZBQOSA-N 2 1 341.402 1.180 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000907533913 592691969 /nfs/dbraw/zinc/69/19/69/592691969.db2.gz ZGELNQUNDWUIDY-YZGWKJHDSA-N 2 1 345.487 1.612 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000907533913 592691972 /nfs/dbraw/zinc/69/19/72/592691972.db2.gz ZGELNQUNDWUIDY-YZGWKJHDSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000907533913 592691976 /nfs/dbraw/zinc/69/19/76/592691976.db2.gz ZGELNQUNDWUIDY-YZGWKJHDSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000907533913 592691978 /nfs/dbraw/zinc/69/19/78/592691978.db2.gz ZGELNQUNDWUIDY-YZGWKJHDSA-N 2 1 345.487 1.612 20 0 EDADMP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000907555800 592706215 /nfs/dbraw/zinc/70/62/15/592706215.db2.gz XNALNYXAGMRYRQ-HNAYVOBHSA-N 2 1 346.475 1.382 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000907555800 592706219 /nfs/dbraw/zinc/70/62/19/592706219.db2.gz XNALNYXAGMRYRQ-HNAYVOBHSA-N 2 1 346.475 1.382 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)C1 ZINC000907559471 592708918 /nfs/dbraw/zinc/70/89/18/592708918.db2.gz LTGWIUAGCUPKBR-YQQAZPJKSA-N 2 1 334.464 1.878 20 0 EDADMP Cc1cc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)ccc1OCC[NH+](C)C ZINC000909920514 592713477 /nfs/dbraw/zinc/71/34/77/592713477.db2.gz MSNRUBUOSFBPRC-MAUKXSAKSA-N 2 1 335.448 1.329 20 0 EDADMP Cc1cc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)ccc1OCC[NH+](C)C ZINC000909920514 592713479 /nfs/dbraw/zinc/71/34/79/592713479.db2.gz MSNRUBUOSFBPRC-MAUKXSAKSA-N 2 1 335.448 1.329 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000907601986 592728360 /nfs/dbraw/zinc/72/83/60/592728360.db2.gz ALBDZCVRKRGDPF-HOTGVXAUSA-N 2 1 325.497 1.412 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000907601986 592728364 /nfs/dbraw/zinc/72/83/64/592728364.db2.gz ALBDZCVRKRGDPF-HOTGVXAUSA-N 2 1 325.497 1.412 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000907601986 592728366 /nfs/dbraw/zinc/72/83/66/592728366.db2.gz ALBDZCVRKRGDPF-HOTGVXAUSA-N 2 1 325.497 1.412 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[NH+](CC)C[C@H]2C)C1 ZINC000910269923 592816057 /nfs/dbraw/zinc/81/60/57/592816057.db2.gz MVIGKSDAYRWERK-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[NH+](CC)C[C@H]2C)C1 ZINC000910269923 592816058 /nfs/dbraw/zinc/81/60/58/592816058.db2.gz MVIGKSDAYRWERK-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CCC[N@H+](CC)C[C@H]2C)C1 ZINC000910269923 592816059 /nfs/dbraw/zinc/81/60/59/592816059.db2.gz MVIGKSDAYRWERK-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CCC[N@@H+](CC)C[C@H]2C)C1 ZINC000910269923 592816060 /nfs/dbraw/zinc/81/60/60/592816060.db2.gz MVIGKSDAYRWERK-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000912346532 593087802 /nfs/dbraw/zinc/08/78/02/593087802.db2.gz JNUCPQHADRMVHO-QZTJIDSGSA-N 2 1 335.492 1.763 20 0 EDADMP CN(CCC[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1)CC[NH+](C)C ZINC000808781810 593287930 /nfs/dbraw/zinc/28/79/30/593287930.db2.gz SCNXOEHARQQKBH-UHFFFAOYSA-N 2 1 328.501 1.421 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030743 593395041 /nfs/dbraw/zinc/39/50/41/593395041.db2.gz MNCWDXWMCOUHFD-JDFNMSKQSA-N 2 1 345.487 1.781 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000810441470 593402249 /nfs/dbraw/zinc/40/22/49/593402249.db2.gz MWYJURVKEYLSGZ-MAUKXSAKSA-N 2 1 341.471 1.380 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000818960374 593730458 /nfs/dbraw/zinc/73/04/58/593730458.db2.gz YRPQILLIZOGNNM-SOUVJXGZSA-N 2 1 327.469 1.479 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000818960374 593730459 /nfs/dbraw/zinc/73/04/59/593730459.db2.gz YRPQILLIZOGNNM-SOUVJXGZSA-N 2 1 327.469 1.479 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000819246808 593746543 /nfs/dbraw/zinc/74/65/43/593746543.db2.gz RCKIOSZZIYNRIK-ZBFHGGJFSA-N 2 1 341.496 1.821 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000819246808 593746544 /nfs/dbraw/zinc/74/65/44/593746544.db2.gz RCKIOSZZIYNRIK-ZBFHGGJFSA-N 2 1 341.496 1.821 20 0 EDADMP C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000820107032 593791665 /nfs/dbraw/zinc/79/16/65/593791665.db2.gz NUOFIUULEUZJPB-RUYXUALKSA-N 2 1 343.471 1.344 20 0 EDADMP CN(CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](C)CC1 ZINC000821622087 593883771 /nfs/dbraw/zinc/88/37/71/593883771.db2.gz ROVIUTICLXXRAZ-UHFFFAOYSA-N 2 1 343.479 1.325 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625075 593886359 /nfs/dbraw/zinc/88/63/59/593886359.db2.gz FCZPBSJAGWHPRE-DOTOQJQBSA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625075 593886360 /nfs/dbraw/zinc/88/63/60/593886360.db2.gz FCZPBSJAGWHPRE-DOTOQJQBSA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625075 593886361 /nfs/dbraw/zinc/88/63/61/593886361.db2.gz FCZPBSJAGWHPRE-DOTOQJQBSA-N 2 1 342.447 1.662 20 0 EDADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000824585250 594042825 /nfs/dbraw/zinc/04/28/25/594042825.db2.gz OPFLBBIQJAVYTH-PBHICJAKSA-N 2 1 344.463 1.754 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000824942556 594101724 /nfs/dbraw/zinc/10/17/24/594101724.db2.gz XAHPVYAWRSKMSB-MOPGFXCFSA-N 2 1 345.487 1.742 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000824942556 594101725 /nfs/dbraw/zinc/10/17/25/594101725.db2.gz XAHPVYAWRSKMSB-MOPGFXCFSA-N 2 1 345.487 1.742 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000824942556 594101726 /nfs/dbraw/zinc/10/17/26/594101726.db2.gz XAHPVYAWRSKMSB-MOPGFXCFSA-N 2 1 345.487 1.742 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC000825850192 594262278 /nfs/dbraw/zinc/26/22/78/594262278.db2.gz OJDUACJWZNCPOG-PVAVHDDUSA-N 2 1 342.447 1.550 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2O)C[C@H]1C[NH+](C)C ZINC000827892948 594299187 /nfs/dbraw/zinc/29/91/87/594299187.db2.gz XUBUUPKNHSDHEC-VXGBXAGGSA-N 2 1 341.402 1.482 20 0 EDADMP C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000830302038 594371366 /nfs/dbraw/zinc/37/13/66/594371366.db2.gz YWWXXSRVWCHMLY-LESCRADOSA-N 2 1 335.423 1.094 20 0 EDADMP C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000830302038 594371369 /nfs/dbraw/zinc/37/13/69/594371369.db2.gz YWWXXSRVWCHMLY-LESCRADOSA-N 2 1 335.423 1.094 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)C[C@@H]1C ZINC000826686696 594555865 /nfs/dbraw/zinc/55/58/65/594555865.db2.gz WNZYCFRDLBYKIA-MPTYRVRUSA-N 2 1 338.496 1.220 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[C@@H]1C ZINC000826686696 594555866 /nfs/dbraw/zinc/55/58/66/594555866.db2.gz WNZYCFRDLBYKIA-MPTYRVRUSA-N 2 1 338.496 1.220 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)C[C@@H]1C ZINC000826686696 594555868 /nfs/dbraw/zinc/55/58/68/594555868.db2.gz WNZYCFRDLBYKIA-MPTYRVRUSA-N 2 1 338.496 1.220 20 0 EDADMP COC[C@@]1(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC[NH2+]C1 ZINC000827250052 594656378 /nfs/dbraw/zinc/65/63/78/594656378.db2.gz NUEYOSHYHABPNV-LJQANCHMSA-N 2 1 346.475 1.393 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000827409664 594669295 /nfs/dbraw/zinc/66/92/95/594669295.db2.gz MMOJTBJODXSYTB-QGZVFWFLSA-N 2 1 341.377 1.747 20 0 EDADMP C[C@@]1(CNC(=O)NC2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841899156 594977245 /nfs/dbraw/zinc/97/72/45/594977245.db2.gz SVWQXJRELATYPA-IBGZPJMESA-N 2 1 330.476 1.950 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841928643 594983737 /nfs/dbraw/zinc/98/37/37/594983737.db2.gz QPKAHIJRIABAAK-QZTJIDSGSA-N 2 1 330.476 1.814 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc(CCC(C)(C)[NH3+])n3)cn2)CC1 ZINC000843199070 595029887 /nfs/dbraw/zinc/02/98/87/595029887.db2.gz PGDPNMDJLWXEFN-UHFFFAOYSA-N 2 1 330.436 1.553 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc(C[C@@H]([NH3+])C4CC4)n3)cn2)CC1 ZINC000843207030 595035015 /nfs/dbraw/zinc/03/50/15/595035015.db2.gz IGVDFVLQPJGLQC-OAHLLOKOSA-N 2 1 342.447 1.553 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000843364437 595088645 /nfs/dbraw/zinc/08/86/45/595088645.db2.gz IEDVVZROTAIXOS-HOCLYGCPSA-N 2 1 344.459 1.099 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000843364437 595088647 /nfs/dbraw/zinc/08/86/47/595088647.db2.gz IEDVVZROTAIXOS-HOCLYGCPSA-N 2 1 344.459 1.099 20 0 EDADMP CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)cc(=O)oc2c1 ZINC000843382842 595095986 /nfs/dbraw/zinc/09/59/86/595095986.db2.gz SLZSLURMUYVIAF-SFHVURJKSA-N 2 1 329.400 1.922 20 0 EDADMP CC(=O)Nc1ccc2c(C[N@H+]3CC[C@@](C)(C[NH3+])C3)cc(=O)oc2c1 ZINC000843382842 595095990 /nfs/dbraw/zinc/09/59/90/595095990.db2.gz SLZSLURMUYVIAF-SFHVURJKSA-N 2 1 329.400 1.922 20 0 EDADMP CCCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000842478184 595115863 /nfs/dbraw/zinc/11/58/63/595115863.db2.gz GWMKTQGBFZQCPD-GOEBONIOSA-N 2 1 336.484 1.459 20 0 EDADMP CCCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000842478184 595115865 /nfs/dbraw/zinc/11/58/65/595115865.db2.gz GWMKTQGBFZQCPD-GOEBONIOSA-N 2 1 336.484 1.459 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843489507 595128098 /nfs/dbraw/zinc/12/80/98/595128098.db2.gz GCBFNWNBKOAQIS-NJAFHUGGSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CN1C[C@@]3(C[NH+]4CCC3CC4)OC1=O)CCOCC2 ZINC000842639236 595152943 /nfs/dbraw/zinc/15/29/43/595152943.db2.gz QCBKENYKWBDXBH-DNVCBOLYSA-N 2 1 349.475 1.752 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000834591536 595169920 /nfs/dbraw/zinc/16/99/20/595169920.db2.gz AIUJXZUKPRNDNJ-CKEIUWERSA-N 2 1 329.435 1.844 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000834591536 595169922 /nfs/dbraw/zinc/16/99/22/595169922.db2.gz AIUJXZUKPRNDNJ-CKEIUWERSA-N 2 1 329.435 1.844 20 0 EDADMP CC(C)[N@H+](C)Cc1nc(-c2ccc(N3CCC([NH3+])CC3)nc2)no1 ZINC000843147441 595296265 /nfs/dbraw/zinc/29/62/65/595296265.db2.gz IDYCCUNJWMCADA-UHFFFAOYSA-N 2 1 330.436 1.899 20 0 EDADMP CC(C)[N@@H+](C)Cc1nc(-c2ccc(N3CCC([NH3+])CC3)nc2)no1 ZINC000843147441 595296267 /nfs/dbraw/zinc/29/62/67/595296267.db2.gz IDYCCUNJWMCADA-UHFFFAOYSA-N 2 1 330.436 1.899 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844189544 595297571 /nfs/dbraw/zinc/29/75/71/595297571.db2.gz NEZNNFGELBMSFG-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@@H](C)OC3=O)CC2)CC1 ZINC000848073026 595315242 /nfs/dbraw/zinc/31/52/42/595315242.db2.gz IBMXXBOEKZQOAI-CJNGLKHVSA-N 2 1 337.464 1.003 20 0 EDADMP CC(C)[NH2+]C1CC[NH+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846824560 595322056 /nfs/dbraw/zinc/32/20/56/595322056.db2.gz CVCRFIKMBBIFRW-GOSISDBHSA-N 2 1 341.496 1.821 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000847293139 595388960 /nfs/dbraw/zinc/38/89/60/595388960.db2.gz ANJDSGNSGCTRNL-LUKYLMHMSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000847293139 595388962 /nfs/dbraw/zinc/38/89/62/595388962.db2.gz ANJDSGNSGCTRNL-LUKYLMHMSA-N 2 1 340.512 1.658 20 0 EDADMP c1ccn2c(c1)nnc2CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848516836 595401334 /nfs/dbraw/zinc/40/13/34/595401334.db2.gz FGOUWNKAYVCXIO-INIZCTEOSA-N 2 1 329.448 1.505 20 0 EDADMP COc1ccc([C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000848518392 595401951 /nfs/dbraw/zinc/40/19/51/595401951.db2.gz KHGSJKHEBCECFK-RBUKOAKNSA-N 2 1 334.460 1.962 20 0 EDADMP O=C(NCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000848527209 595402898 /nfs/dbraw/zinc/40/28/98/595402898.db2.gz VCQHEFCZEDIYSJ-SFHVURJKSA-N 2 1 349.450 1.789 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848657315 595423739 /nfs/dbraw/zinc/42/37/39/595423739.db2.gz WXSFKHHKKNHRIY-HOTGVXAUSA-N 2 1 340.537 1.190 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848657315 595423740 /nfs/dbraw/zinc/42/37/40/595423740.db2.gz WXSFKHHKKNHRIY-HOTGVXAUSA-N 2 1 340.537 1.190 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848657317 595423813 /nfs/dbraw/zinc/42/38/13/595423813.db2.gz WXSFKHHKKNHRIY-JKSUJKDBSA-N 2 1 340.537 1.190 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848657317 595423815 /nfs/dbraw/zinc/42/38/15/595423815.db2.gz WXSFKHHKKNHRIY-JKSUJKDBSA-N 2 1 340.537 1.190 20 0 EDADMP O=C(OCCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848775475 595444793 /nfs/dbraw/zinc/44/47/93/595444793.db2.gz ZGTXGECJSBEXAM-GOSISDBHSA-N 2 1 332.444 1.774 20 0 EDADMP O=C(OCCC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848775475 595444794 /nfs/dbraw/zinc/44/47/94/595444794.db2.gz ZGTXGECJSBEXAM-GOSISDBHSA-N 2 1 332.444 1.774 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)NC1CCC1 ZINC000849110250 595483366 /nfs/dbraw/zinc/48/33/66/595483366.db2.gz CYRQEPHHAWRSCC-UHFFFAOYSA-N 2 1 329.492 1.861 20 0 EDADMP CCOC(=O)[C@]1(F)C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC12CCC2 ZINC000852754194 595526942 /nfs/dbraw/zinc/52/69/42/595526942.db2.gz BTMJHBBMBBJFBU-SUMWQHHRSA-N 2 1 326.412 1.265 20 0 EDADMP CCOC(=O)[C@]1(F)C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC12CCC2 ZINC000852754194 595526944 /nfs/dbraw/zinc/52/69/44/595526944.db2.gz BTMJHBBMBBJFBU-SUMWQHHRSA-N 2 1 326.412 1.265 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC(C[NH+](C)C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849596633 595586815 /nfs/dbraw/zinc/58/68/15/595586815.db2.gz AWOZNVIGSNLRPD-MSOLQXFVSA-N 2 1 347.507 1.254 20 0 EDADMP [NH3+]C[C@H]1CC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)=NO1 ZINC000852868844 595588366 /nfs/dbraw/zinc/58/83/66/595588366.db2.gz VYHMMBGIQBEESE-NPYXIHBLSA-N 2 1 342.443 1.402 20 0 EDADMP Cc1nn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1[C@H]1COCCN1C ZINC000852962438 595631570 /nfs/dbraw/zinc/63/15/70/595631570.db2.gz GDGNGWWSLSDTPX-IXDOHACOSA-N 2 1 334.464 1.366 20 0 EDADMP Cc1nn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1[C@H]1COCCN1C ZINC000852962438 595631574 /nfs/dbraw/zinc/63/15/74/595631574.db2.gz GDGNGWWSLSDTPX-IXDOHACOSA-N 2 1 334.464 1.366 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000853052584 595650715 /nfs/dbraw/zinc/65/07/15/595650715.db2.gz WYUFJYSHVMUFAT-JKSUJKDBSA-N 2 1 342.553 1.388 20 0 EDADMP C[NH+]1CCN(C[C@H]([NH2+]C[C@@H](O)c2ccccn2)c2ccccc2)CC1 ZINC000853097331 595663077 /nfs/dbraw/zinc/66/30/77/595663077.db2.gz BYBWJBSYEGFACO-VQTJNVASSA-N 2 1 340.471 1.693 20 0 EDADMP CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000851989907 595998547 /nfs/dbraw/zinc/99/85/47/595998547.db2.gz YNPMSIPASFIIDI-GFCCVEGCSA-N 2 1 332.341 1.116 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000859215580 596006407 /nfs/dbraw/zinc/00/64/07/596006407.db2.gz KSBWANDICVFEMM-IYBDPMFKSA-N 2 1 333.476 1.816 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000859215580 596006411 /nfs/dbraw/zinc/00/64/11/596006411.db2.gz KSBWANDICVFEMM-IYBDPMFKSA-N 2 1 333.476 1.816 20 0 EDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000854223553 596007428 /nfs/dbraw/zinc/00/74/28/596007428.db2.gz RSNWPDIRQDGZIV-VXGBXAGGSA-N 2 1 330.416 1.864 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3cn[nH]c3)C2)ccn1 ZINC000856584192 596020592 /nfs/dbraw/zinc/02/05/92/596020592.db2.gz DTJTZRAGONDWHS-SFHVURJKSA-N 2 1 329.448 1.952 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3cn[nH]c3)C2)ccn1 ZINC000856584192 596020596 /nfs/dbraw/zinc/02/05/96/596020596.db2.gz DTJTZRAGONDWHS-SFHVURJKSA-N 2 1 329.448 1.952 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3cn[nH]c3)C2)ccn1 ZINC000856584192 596020600 /nfs/dbraw/zinc/02/06/00/596020600.db2.gz DTJTZRAGONDWHS-SFHVURJKSA-N 2 1 329.448 1.952 20 0 EDADMP CCCNC(=O)OC[C@H]1CCCCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000852047846 596022693 /nfs/dbraw/zinc/02/26/93/596022693.db2.gz IXJSOYKPLCEMKJ-CVEARBPZSA-N 2 1 329.485 1.678 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)C(=O)N(C)C)C2)ccn1 ZINC000856596028 596027835 /nfs/dbraw/zinc/02/78/35/596027835.db2.gz PTKHKIFZFCMJQA-PBHICJAKSA-N 2 1 334.464 1.463 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)ccn1 ZINC000856596028 596027838 /nfs/dbraw/zinc/02/78/38/596027838.db2.gz PTKHKIFZFCMJQA-PBHICJAKSA-N 2 1 334.464 1.463 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)ccn1 ZINC000856596028 596027841 /nfs/dbraw/zinc/02/78/41/596027841.db2.gz PTKHKIFZFCMJQA-PBHICJAKSA-N 2 1 334.464 1.463 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000861555494 596028634 /nfs/dbraw/zinc/02/86/34/596028634.db2.gz OAONATIXOKHORE-WMZOPIPTSA-N 2 1 347.507 1.354 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000861555494 596028637 /nfs/dbraw/zinc/02/86/37/596028637.db2.gz OAONATIXOKHORE-WMZOPIPTSA-N 2 1 347.507 1.354 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000861555494 596028641 /nfs/dbraw/zinc/02/86/41/596028641.db2.gz OAONATIXOKHORE-WMZOPIPTSA-N 2 1 347.507 1.354 20 0 EDADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598821 596030863 /nfs/dbraw/zinc/03/08/63/596030863.db2.gz CHRGODWXCFWLGT-IAGOWNOFSA-N 2 1 334.464 1.639 20 0 EDADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598821 596030868 /nfs/dbraw/zinc/03/08/68/596030868.db2.gz CHRGODWXCFWLGT-IAGOWNOFSA-N 2 1 334.464 1.639 20 0 EDADMP CC[C@H](C(N)=O)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856598821 596030871 /nfs/dbraw/zinc/03/08/71/596030871.db2.gz CHRGODWXCFWLGT-IAGOWNOFSA-N 2 1 334.464 1.639 20 0 EDADMP CC[C@H](C(N)=O)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856598821 596030876 /nfs/dbraw/zinc/03/08/76/596030876.db2.gz CHRGODWXCFWLGT-IAGOWNOFSA-N 2 1 334.464 1.639 20 0 EDADMP CCc1noc(C[C@]2(O)CCC[N@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000856675696 596046941 /nfs/dbraw/zinc/04/69/41/596046941.db2.gz BHBRLVPNIKAISP-QGZVFWFLSA-N 2 1 333.436 1.597 20 0 EDADMP CCc1noc(C[C@]2(O)CCC[N@@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000856675696 596046944 /nfs/dbraw/zinc/04/69/44/596046944.db2.gz BHBRLVPNIKAISP-QGZVFWFLSA-N 2 1 333.436 1.597 20 0 EDADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)c2)C1 ZINC000857298641 596207959 /nfs/dbraw/zinc/20/79/59/596207959.db2.gz CYLZHCHTJZPSRZ-CEXWTWQISA-N 2 1 343.471 1.387 20 0 EDADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c2)C1 ZINC000857298641 596207960 /nfs/dbraw/zinc/20/79/60/596207960.db2.gz CYLZHCHTJZPSRZ-CEXWTWQISA-N 2 1 343.471 1.387 20 0 EDADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)c2)C1 ZINC000857298641 596207961 /nfs/dbraw/zinc/20/79/61/596207961.db2.gz CYLZHCHTJZPSRZ-CEXWTWQISA-N 2 1 343.471 1.387 20 0 EDADMP O=C(Oc1ccccc1)N1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000852745558 596237307 /nfs/dbraw/zinc/23/73/07/596237307.db2.gz WIJDLNXQHHDPRH-QGZVFWFLSA-N 2 1 345.443 1.714 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000862214213 596276067 /nfs/dbraw/zinc/27/60/67/596276067.db2.gz KCHORKHWUPZNBV-GOSISDBHSA-N 2 1 341.471 1.522 20 0 EDADMP Cc1cccnc1NC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000866668039 596286051 /nfs/dbraw/zinc/28/60/51/596286051.db2.gz GYMVUZDWBHBEHF-INIZCTEOSA-N 2 1 332.448 1.419 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC000866706893 596302255 /nfs/dbraw/zinc/30/22/55/596302255.db2.gz FXCLGKVYAQYMHK-XPKDYRNWSA-N 2 1 335.379 1.071 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@H](c3ccccc3)C1)C2=O ZINC000120263872 596388529 /nfs/dbraw/zinc/38/85/29/596388529.db2.gz RRKXNGPAVSWGOW-INIZCTEOSA-N 2 1 342.443 1.450 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@H](c3ccccc3)C1)C2=O ZINC000120263872 596388537 /nfs/dbraw/zinc/38/85/37/596388537.db2.gz RRKXNGPAVSWGOW-INIZCTEOSA-N 2 1 342.443 1.450 20 0 EDADMP C[C@H]1C[C@H](NC(=O)c2csc(C3CC[NH2+]CC3)n2)C[N@H+]1C1CC1 ZINC000870928393 596409329 /nfs/dbraw/zinc/40/93/29/596409329.db2.gz FRHWTPQOVATTTD-AAEUAGOBSA-N 2 1 334.489 1.965 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870957736 596417828 /nfs/dbraw/zinc/41/78/28/596417828.db2.gz VKMMRXCRDNRFMK-CEXWTWQISA-N 2 1 344.503 1.436 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870957736 596417830 /nfs/dbraw/zinc/41/78/30/596417830.db2.gz VKMMRXCRDNRFMK-CEXWTWQISA-N 2 1 344.503 1.436 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=S)NCC1CC[NH+](C)CC1 ZINC000865266101 596528532 /nfs/dbraw/zinc/52/85/32/596528532.db2.gz YLGZVGONJVAFPO-QGZVFWFLSA-N 2 1 332.517 1.979 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H]1CNC(=S)NCC1CC[NH+](C)CC1 ZINC000865266101 596528534 /nfs/dbraw/zinc/52/85/34/596528534.db2.gz YLGZVGONJVAFPO-QGZVFWFLSA-N 2 1 332.517 1.979 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc3oc(=O)n(C)c3c2)C1 ZINC000871740287 596682492 /nfs/dbraw/zinc/68/24/92/596682492.db2.gz KEBOCEQSTKSGLG-HNNXBMFYSA-N 2 1 348.403 1.239 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc3oc(=O)n(C)c3c2)C1 ZINC000871740287 596682494 /nfs/dbraw/zinc/68/24/94/596682494.db2.gz KEBOCEQSTKSGLG-HNNXBMFYSA-N 2 1 348.403 1.239 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868282169 596763209 /nfs/dbraw/zinc/76/32/09/596763209.db2.gz UBQCENNSCGVXAZ-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CCOCC4)C2)C1 ZINC000872144589 596809438 /nfs/dbraw/zinc/80/94/38/596809438.db2.gz HNWNGQWNNGWQEF-MHORFTMASA-N 2 1 338.492 1.790 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1)[C@@H]1CCC[NH2+]1 ZINC000872142762 596809515 /nfs/dbraw/zinc/80/95/15/596809515.db2.gz CNLGHIKEAKPNIZ-KFGODFMUSA-N 2 1 335.492 1.524 20 0 EDADMP CC(C)(C)S(=O)(=O)CCC[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000872145670 596809887 /nfs/dbraw/zinc/80/98/87/596809887.db2.gz WBSPOYCWXJIQPX-JKSUJKDBSA-N 2 1 346.537 1.808 20 0 EDADMP CCS(=O)(=O)NCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158250 596816858 /nfs/dbraw/zinc/81/68/58/596816858.db2.gz UJHFSHNEXDHSSZ-ZBFHGGJFSA-N 2 1 331.526 1.545 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])[C@H](C)C1 ZINC000872191229 596828052 /nfs/dbraw/zinc/82/80/52/596828052.db2.gz XUEHTBQNRIPXLQ-CVEARBPZSA-N 2 1 340.512 1.153 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(OC)c1 ZINC000872254405 596855426 /nfs/dbraw/zinc/85/54/26/596855426.db2.gz CLAGFDMKXRDFMN-LXZKKBNFSA-N 2 1 347.415 1.071 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000872255919 596856662 /nfs/dbraw/zinc/85/66/62/596856662.db2.gz OHCOFURAYAHRPB-FPMFFAJLSA-N 2 1 334.445 1.387 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000872255919 596856663 /nfs/dbraw/zinc/85/66/63/596856663.db2.gz OHCOFURAYAHRPB-FPMFFAJLSA-N 2 1 334.445 1.387 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](CCSCc2ccccc2)C1 ZINC000872257840 596857371 /nfs/dbraw/zinc/85/73/71/596857371.db2.gz YRRGCOPVOJFRFA-IXDOHACOSA-N 2 1 347.484 1.787 20 0 EDADMP CC(C)N1C(=O)CC[C@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000874154931 596943695 /nfs/dbraw/zinc/94/36/95/596943695.db2.gz PKKDGHPARZHWAF-INIZCTEOSA-N 2 1 345.447 1.171 20 0 EDADMP CCOC(=O)[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C(C)C ZINC000874155552 596943722 /nfs/dbraw/zinc/94/37/22/596943722.db2.gz ZTCIPEHAFQSKAU-MRXNPFEDSA-N 2 1 348.447 1.607 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC000876203974 597134101 /nfs/dbraw/zinc/13/41/01/597134101.db2.gz SCGLZONRHHJNND-IAGOWNOFSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000876203974 597134103 /nfs/dbraw/zinc/13/41/03/597134103.db2.gz SCGLZONRHHJNND-IAGOWNOFSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000876203974 597134106 /nfs/dbraw/zinc/13/41/06/597134106.db2.gz SCGLZONRHHJNND-IAGOWNOFSA-N 2 1 338.496 1.149 20 0 EDADMP CCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCS(=O)(=O)C1 ZINC000873201768 597225256 /nfs/dbraw/zinc/22/52/56/597225256.db2.gz WKLZAFNZTXLVED-CYBMUJFWSA-N 2 1 328.503 1.793 20 0 EDADMP COc1cc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)ncn1 ZINC000873209550 597228806 /nfs/dbraw/zinc/22/88/06/597228806.db2.gz PLRSXTRKBMSLCQ-UHFFFAOYSA-N 2 1 345.472 1.515 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210504 597229092 /nfs/dbraw/zinc/22/90/92/597229092.db2.gz IHIDIGLZAUKTNZ-CQSZACIVSA-N 3 1 336.505 1.213 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210504 597229093 /nfs/dbraw/zinc/22/90/93/597229093.db2.gz IHIDIGLZAUKTNZ-CQSZACIVSA-N 2 1 336.505 1.213 20 0 EDADMP COC(=O)COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873227057 597233740 /nfs/dbraw/zinc/23/37/40/597233740.db2.gz BUGUWXJCBXKEHP-GXTWGEPZSA-N 2 1 346.349 1.807 20 0 EDADMP COC(=O)COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873227057 597233744 /nfs/dbraw/zinc/23/37/44/597233744.db2.gz BUGUWXJCBXKEHP-GXTWGEPZSA-N 2 1 346.349 1.807 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1c[nH]nc1-c1ccc3c(c1)OCCO3)C2 ZINC000873227049 597234064 /nfs/dbraw/zinc/23/40/64/597234064.db2.gz BSSQAFFMVQIKHK-HNAYVOBHSA-N 2 1 340.427 1.889 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1c[nH]nc1-c1ccc3c(c1)OCCO3)C2 ZINC000873227049 597234065 /nfs/dbraw/zinc/23/40/65/597234065.db2.gz BSSQAFFMVQIKHK-HNAYVOBHSA-N 2 1 340.427 1.889 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000875152615 597304425 /nfs/dbraw/zinc/30/44/25/597304425.db2.gz TWQFBQWCKIXKGD-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)C[NH+](C)C)cc2)C1 ZINC000876719705 597304455 /nfs/dbraw/zinc/30/44/55/597304455.db2.gz SNUSZMFUNNBVJD-QAPCUYQASA-N 2 1 332.492 1.424 20 0 EDADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000876726323 597307826 /nfs/dbraw/zinc/30/78/26/597307826.db2.gz DBUKEIORZCTCRY-NDQLNCGMSA-N 2 1 333.501 1.847 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000876762591 597328145 /nfs/dbraw/zinc/32/81/45/597328145.db2.gz DMNOQYQNJYGCQL-QAPCUYQASA-N 2 1 330.432 1.657 20 0 EDADMP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000876772372 597334270 /nfs/dbraw/zinc/33/42/70/597334270.db2.gz BHQPLDAXPSHQGK-GFCCVEGCSA-N 2 1 336.505 1.990 20 0 EDADMP C[C@H]1C[N@H+](Cc2cnc3c(cnn3C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000876782174 597338616 /nfs/dbraw/zinc/33/86/16/597338616.db2.gz NBWWSCAWCCNCQV-MAUKXSAKSA-N 2 1 342.491 1.426 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cnc3c(cnn3C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000876782174 597338620 /nfs/dbraw/zinc/33/86/20/597338620.db2.gz NBWWSCAWCCNCQV-MAUKXSAKSA-N 2 1 342.491 1.426 20 0 EDADMP CN(c1ccc(NCc2c[nH+]c(N)nc2N)cc1)C1CC[NH+](C)CC1 ZINC000876824388 597352473 /nfs/dbraw/zinc/35/24/73/597352473.db2.gz NPELYUWYWIKELB-UHFFFAOYSA-N 2 1 341.463 1.784 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876897722 597375676 /nfs/dbraw/zinc/37/56/76/597375676.db2.gz VDNWTQLNKNOTHP-RCCFBDPRSA-N 2 1 349.450 1.341 20 0 EDADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877031074 597417613 /nfs/dbraw/zinc/41/76/13/597417613.db2.gz QNLKXUXZLDXPGF-DXCKQFNASA-N 2 1 328.416 1.233 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000877228694 597469194 /nfs/dbraw/zinc/46/91/94/597469194.db2.gz CLLZDNKFWSUZNE-ATZDWAIDSA-N 2 1 345.487 1.700 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000877228694 597469195 /nfs/dbraw/zinc/46/91/95/597469195.db2.gz CLLZDNKFWSUZNE-ATZDWAIDSA-N 2 1 345.487 1.700 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000877231885 597471233 /nfs/dbraw/zinc/47/12/33/597471233.db2.gz VYUHAMDTWCMMAB-PKOBYXMFSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000877231885 597471235 /nfs/dbraw/zinc/47/12/35/597471235.db2.gz VYUHAMDTWCMMAB-PKOBYXMFSA-N 2 1 331.460 1.312 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)CC[C@@H]21 ZINC000877250977 597480189 /nfs/dbraw/zinc/48/01/89/597480189.db2.gz VJDNMMMDNRIUIF-AEFFLSMTSA-N 2 1 327.472 1.860 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877352539 597498781 /nfs/dbraw/zinc/49/87/81/597498781.db2.gz HJFOYZMSKAVORC-GJZGRUSLSA-N 2 1 343.393 1.757 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C2 ZINC000877374643 597504252 /nfs/dbraw/zinc/50/42/52/597504252.db2.gz MEWZLJCFUTXRCG-JENIJYKNSA-N 2 1 345.512 1.844 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc2c(cnn2C)c1 ZINC000877525070 597530686 /nfs/dbraw/zinc/53/06/86/597530686.db2.gz PMVQSHYFGCHOMR-SFHVURJKSA-N 2 1 344.507 1.816 20 0 EDADMP C[NH+](C)Cc1cnc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000877669821 597546560 /nfs/dbraw/zinc/54/65/60/597546560.db2.gz APPIMCZECKGUOL-HUUCEWRRSA-N 3 1 339.553 1.376 20 0 EDADMP C[NH+](C)CC1CC[NH+](C[C@@H](O)c2cc(Br)no2)CC1 ZINC000877969930 597567046 /nfs/dbraw/zinc/56/70/46/597567046.db2.gz IMNYVBGIJHUGQF-LLVKDONJSA-N 2 1 332.242 1.744 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CC4(CO3)CCOCC4)CC2)C1 ZINC000878247692 597589771 /nfs/dbraw/zinc/58/97/71/597589771.db2.gz FFQJAUIYKAZDGW-ROUUACIJSA-N 2 1 337.508 1.284 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CC4(CO3)CCOCC4)CC2)C1 ZINC000878247692 597589772 /nfs/dbraw/zinc/58/97/72/597589772.db2.gz FFQJAUIYKAZDGW-ROUUACIJSA-N 2 1 337.508 1.284 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879569483 597635085 /nfs/dbraw/zinc/63/50/85/597635085.db2.gz QHHGJGMYNADYGG-NXHRZFHOSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879569483 597635088 /nfs/dbraw/zinc/63/50/88/597635088.db2.gz QHHGJGMYNADYGG-NXHRZFHOSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569483 597635093 /nfs/dbraw/zinc/63/50/93/597635093.db2.gz QHHGJGMYNADYGG-NXHRZFHOSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879569483 597635097 /nfs/dbraw/zinc/63/50/97/597635097.db2.gz QHHGJGMYNADYGG-NXHRZFHOSA-N 2 1 334.460 1.599 20 0 EDADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)NCC(=O)c3ccccc3)CC[C@H]21 ZINC000879580392 597642076 /nfs/dbraw/zinc/64/20/76/597642076.db2.gz HARFKMFXIGZLKE-DLBZAZTESA-N 2 1 329.444 1.402 20 0 EDADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)NCC(=O)c3ccccc3)CC[C@H]21 ZINC000879580392 597642079 /nfs/dbraw/zinc/64/20/79/597642079.db2.gz HARFKMFXIGZLKE-DLBZAZTESA-N 2 1 329.444 1.402 20 0 EDADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)NCC(=O)c3ccccc3)CC[C@H]21 ZINC000879580392 597642082 /nfs/dbraw/zinc/64/20/82/597642082.db2.gz HARFKMFXIGZLKE-DLBZAZTESA-N 2 1 329.444 1.402 20 0 EDADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)NCC(=O)c3ccccc3)CC[C@H]21 ZINC000879580392 597642085 /nfs/dbraw/zinc/64/20/85/597642085.db2.gz HARFKMFXIGZLKE-DLBZAZTESA-N 2 1 329.444 1.402 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccn2nccc12 ZINC000878589296 597645875 /nfs/dbraw/zinc/64/58/75/597645875.db2.gz JMVKYLFTFKKJHL-INIZCTEOSA-N 2 1 343.475 1.822 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CCN1c1cc[nH+]cc1 ZINC000881632154 597665537 /nfs/dbraw/zinc/66/55/37/597665537.db2.gz KWZOACJALGNLDZ-ZBFHGGJFSA-N 2 1 334.489 1.556 20 0 EDADMP CC(C)C[N@@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)CC1CC[NH+](C)CC1 ZINC000879703697 597695264 /nfs/dbraw/zinc/69/52/64/597695264.db2.gz UOBWETIXFOZFJO-KRWDZBQOSA-N 2 1 345.553 1.568 20 0 EDADMP CN(C)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000878866791 597739132 /nfs/dbraw/zinc/73/91/32/597739132.db2.gz XHCYKWPVXSMXBC-LJQANCHMSA-N 2 1 348.491 1.470 20 0 EDADMP CN(C)c1ccc(NC(=O)CC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000878866791 597739134 /nfs/dbraw/zinc/73/91/34/597739134.db2.gz XHCYKWPVXSMXBC-LJQANCHMSA-N 2 1 348.491 1.470 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1)[C@H]1CCC[NH2+]1 ZINC000883424606 597741982 /nfs/dbraw/zinc/74/19/82/597741982.db2.gz XQJVZZYSWRQNPK-YESZJQIVSA-N 2 1 335.492 1.668 20 0 EDADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000883442556 597748581 /nfs/dbraw/zinc/74/85/81/597748581.db2.gz NPKAUUJMVJDTSR-JQFCIGGWSA-N 2 1 346.475 1.566 20 0 EDADMP CC(C)CNC(=O)c1ccccc1NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000883442687 597748635 /nfs/dbraw/zinc/74/86/35/597748635.db2.gz QKLGIKCSJUYFAN-HZPDHXFCSA-N 2 1 346.475 1.726 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)CC2(CO)CCCC2)CCO1 ZINC000879001368 597781301 /nfs/dbraw/zinc/78/13/01/597781301.db2.gz VPXLFQJSQLYHKH-IAGOWNOFSA-N 2 1 328.497 1.333 20 0 EDADMP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000880062604 597827766 /nfs/dbraw/zinc/82/77/66/597827766.db2.gz PPJVUSOMQWFKFW-STQMWFEESA-N 2 1 337.386 1.192 20 0 EDADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000880062604 597827768 /nfs/dbraw/zinc/82/77/68/597827768.db2.gz PPJVUSOMQWFKFW-STQMWFEESA-N 2 1 337.386 1.192 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000883650824 597847142 /nfs/dbraw/zinc/84/71/42/597847142.db2.gz WHFUYQDIJXHKGG-MRXNPFEDSA-N 2 1 349.479 1.306 20 0 EDADMP CCC1([NH+]2CCCCC2)CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000880255405 597884464 /nfs/dbraw/zinc/88/44/64/597884464.db2.gz KGYPWHHBRIMSGF-UHFFFAOYSA-N 2 1 340.468 1.912 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)CCN1c1cc[nH+]cc1 ZINC000880262102 597886433 /nfs/dbraw/zinc/88/64/33/597886433.db2.gz TWLWJODATZAOHD-NVXWUHKLSA-N 2 1 331.416 1.763 20 0 EDADMP CO[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000879327485 597887395 /nfs/dbraw/zinc/88/73/95/597887395.db2.gz VYBIRLDKFUADHM-JQHSSLGASA-N 2 1 333.476 1.905 20 0 EDADMP CO[C@@H]1COCC[C@H]1[NH+](C)C/C=C\C[N@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880431698 597932387 /nfs/dbraw/zinc/93/23/87/597932387.db2.gz DTWREOKBONXGMQ-AVXICVFVSA-N 2 1 342.480 1.014 20 0 EDADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)C/C=C\C[NH+](C)[C@H]1CCOC[C@H]1OC ZINC000880431698 597932389 /nfs/dbraw/zinc/93/23/89/597932389.db2.gz DTWREOKBONXGMQ-AVXICVFVSA-N 2 1 342.480 1.014 20 0 EDADMP CO[C@@H]1COCC[C@H]1[N@H+](C)C/C=C\C[NH+](C)[C@H]1CCOC[C@H]1OC ZINC000880431698 597932391 /nfs/dbraw/zinc/93/23/91/597932391.db2.gz DTWREOKBONXGMQ-AVXICVFVSA-N 2 1 342.480 1.014 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000883896562 597935367 /nfs/dbraw/zinc/93/53/67/597935367.db2.gz RFUIVYJPWBMMMB-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000880517774 597953636 /nfs/dbraw/zinc/95/36/36/597953636.db2.gz WMFMNNUQFTWJNW-LJQANCHMSA-N 2 1 333.476 1.557 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884200492 598025998 /nfs/dbraw/zinc/02/59/98/598025998.db2.gz CVLYDWYWUJEROV-HOTGVXAUSA-N 2 1 345.491 1.341 20 0 EDADMP CCC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC000128764230 598059189 /nfs/dbraw/zinc/05/91/89/598059189.db2.gz WLELMXZEZHQZHD-QGZVFWFLSA-N 2 1 336.480 1.931 20 0 EDADMP CCC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000128764230 598059193 /nfs/dbraw/zinc/05/91/93/598059193.db2.gz WLELMXZEZHQZHD-QGZVFWFLSA-N 2 1 336.480 1.931 20 0 EDADMP COCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000884305761 598060228 /nfs/dbraw/zinc/06/02/28/598060228.db2.gz HKSHISJFXCRACN-KRWDZBQOSA-N 2 1 335.448 1.093 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000884316425 598063164 /nfs/dbraw/zinc/06/31/64/598063164.db2.gz RYDBUIQNQYZXAQ-SJLPKXTDSA-N 2 1 331.460 1.841 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914068295 695057843 /nfs/dbraw/zinc/05/78/43/695057843.db2.gz JSZDHRJMVXOTDZ-ILXRZTDVSA-N 2 1 328.526 1.596 20 0 EDADMP CC1CC[NH+](CCNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000914074332 695069293 /nfs/dbraw/zinc/06/92/93/695069293.db2.gz CQGKFHSUPGXCDT-CVEARBPZSA-N 2 1 340.537 1.597 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000914162442 695175133 /nfs/dbraw/zinc/17/51/33/695175133.db2.gz NXOBKDUQLDOGKK-RHSMWYFYSA-N 2 1 336.480 1.023 20 0 EDADMP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000914162442 695175134 /nfs/dbraw/zinc/17/51/34/695175134.db2.gz NXOBKDUQLDOGKK-RHSMWYFYSA-N 2 1 336.480 1.023 20 0 EDADMP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000914162442 695175135 /nfs/dbraw/zinc/17/51/35/695175135.db2.gz NXOBKDUQLDOGKK-RHSMWYFYSA-N 2 1 336.480 1.023 20 0 EDADMP Cc1nccn1-c1ncccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000914323292 695359365 /nfs/dbraw/zinc/35/93/65/695359365.db2.gz VBIQUPNNMZQREX-WFASDCNBSA-N 2 1 328.420 1.468 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000914323292 695359366 /nfs/dbraw/zinc/35/93/66/695359366.db2.gz VBIQUPNNMZQREX-WFASDCNBSA-N 2 1 328.420 1.468 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000914323292 695359367 /nfs/dbraw/zinc/35/93/67/695359367.db2.gz VBIQUPNNMZQREX-WFASDCNBSA-N 2 1 328.420 1.468 20 0 EDADMP O=C(NC1C[NH+](CCC2CCOCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001031082713 695485962 /nfs/dbraw/zinc/48/59/62/695485962.db2.gz UCHMHZRZNAAXCH-ZWKOTPCHSA-N 2 1 335.492 1.620 20 0 EDADMP O=C(NC1C[NH+](CCC2CCOCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001031082713 695485963 /nfs/dbraw/zinc/48/59/63/695485963.db2.gz UCHMHZRZNAAXCH-ZWKOTPCHSA-N 2 1 335.492 1.620 20 0 EDADMP CCC(CC)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031857006 700008174 /nfs/dbraw/zinc/00/81/74/700008174.db2.gz OQPOQJXPIMENLE-RMXPPQQLSA-N 2 1 335.492 1.334 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](CCC[C@@H]3CCOC3)C2)CC1 ZINC001031188749 695709116 /nfs/dbraw/zinc/70/91/16/695709116.db2.gz ZYSMFQKRPBNOMH-MRXNPFEDSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000915656850 695963994 /nfs/dbraw/zinc/96/39/94/695963994.db2.gz CRCDJKCDCKGYBK-WMLDXEAASA-N 2 1 349.479 1.380 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000915656850 695963995 /nfs/dbraw/zinc/96/39/95/695963995.db2.gz CRCDJKCDCKGYBK-WMLDXEAASA-N 2 1 349.479 1.380 20 0 EDADMP C[C@H]1[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@H+]1CCCF ZINC000993371578 696019963 /nfs/dbraw/zinc/01/99/63/696019963.db2.gz ZYHLLOWRNUUBOT-LSDHHAIUSA-N 2 1 339.459 1.387 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cncn1C ZINC000993756242 696350733 /nfs/dbraw/zinc/35/07/33/696350733.db2.gz GNLGQIVJBJTFTE-RHSMWYFYSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1cncn1C ZINC000993756242 696350737 /nfs/dbraw/zinc/35/07/37/696350737.db2.gz GNLGQIVJBJTFTE-RHSMWYFYSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1nocc1C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993761767 696360703 /nfs/dbraw/zinc/36/07/03/696360703.db2.gz OQRYBKICTZWFHF-WMLDXEAASA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nocc1C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993761767 696360704 /nfs/dbraw/zinc/36/07/04/696360704.db2.gz OQRYBKICTZWFHF-WMLDXEAASA-N 2 1 334.464 1.794 20 0 EDADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1cccnc1 ZINC000993768363 696365248 /nfs/dbraw/zinc/36/52/48/696365248.db2.gz ZOCSPTZRDCYPJY-MAUKXSAKSA-N 2 1 330.476 1.893 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccc(F)cn2)CC1 ZINC000940008699 700110698 /nfs/dbraw/zinc/11/06/98/700110698.db2.gz YRIDEKLCXZYWOH-INIZCTEOSA-N 2 1 334.439 1.786 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+](C1CC1)C1CCCCC1)C2=O ZINC000917429372 697019093 /nfs/dbraw/zinc/01/90/93/697019093.db2.gz OLYKSSHVGJISGZ-UHFFFAOYSA-N 2 1 334.464 1.757 20 0 EDADMP CC(C)c1cccc(CN2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001031580458 697274742 /nfs/dbraw/zinc/27/47/42/697274742.db2.gz SHZJGJSIMPYMDN-GOSISDBHSA-N 2 1 330.476 1.847 20 0 EDADMP CC(C)c1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001031580458 697274744 /nfs/dbraw/zinc/27/47/44/697274744.db2.gz SHZJGJSIMPYMDN-GOSISDBHSA-N 2 1 330.476 1.847 20 0 EDADMP CC(C)c1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001031594699 697294493 /nfs/dbraw/zinc/29/44/93/697294493.db2.gz ILKRSOVUQLIGAC-IBGZPJMESA-N 2 1 345.487 1.689 20 0 EDADMP CC(C)c1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001031594699 697294495 /nfs/dbraw/zinc/29/44/95/697294495.db2.gz ILKRSOVUQLIGAC-IBGZPJMESA-N 2 1 345.487 1.689 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC[N@H+]1C ZINC000920403724 697426496 /nfs/dbraw/zinc/42/64/96/697426496.db2.gz GXHXLLFINHVSNT-HYVNUMGLSA-N 2 1 333.480 1.856 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675913 697488392 /nfs/dbraw/zinc/48/83/92/697488392.db2.gz WNUHOJPYPNKFSA-QGZVFWFLSA-N 2 1 348.516 1.650 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CC[NH+]1C ZINC000921326634 697566694 /nfs/dbraw/zinc/56/66/94/697566694.db2.gz OKKFGBDBOUFHGK-KBAYOESNSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000921326634 697566695 /nfs/dbraw/zinc/56/66/95/697566695.db2.gz OKKFGBDBOUFHGK-KBAYOESNSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CC[N@H+]1C ZINC000921326634 697566696 /nfs/dbraw/zinc/56/66/96/697566696.db2.gz OKKFGBDBOUFHGK-KBAYOESNSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCc2nc(CN(C)C)cs2)C[N@H+]1C1CC1 ZINC000921382661 697581250 /nfs/dbraw/zinc/58/12/50/697581250.db2.gz HMNHROUJQUZPJR-NEPJUHHUSA-N 2 1 337.493 1.629 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ncccc2C)C1 ZINC001031711138 697716781 /nfs/dbraw/zinc/71/67/81/697716781.db2.gz CIOYAABAXFQGHW-SFHVURJKSA-N 2 1 330.476 1.812 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ncccc2C)C1 ZINC001031711138 697716783 /nfs/dbraw/zinc/71/67/83/697716783.db2.gz CIOYAABAXFQGHW-SFHVURJKSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)no1 ZINC000995037547 700208983 /nfs/dbraw/zinc/20/89/83/700208983.db2.gz NVXPGXLQUSREJU-GJZGRUSLSA-N 2 1 331.420 1.563 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnc(C)o2)C1 ZINC000995039909 700219252 /nfs/dbraw/zinc/21/92/52/700219252.db2.gz UNIRULBUXPPEPV-HUUCEWRRSA-N 2 1 331.420 1.563 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncnn2C)CC1 ZINC000940110352 700223698 /nfs/dbraw/zinc/22/36/98/700223698.db2.gz XGYPPXGLZKXGTH-HNNXBMFYSA-N 2 1 348.495 1.159 20 0 EDADMP CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000941471032 701549877 /nfs/dbraw/zinc/54/98/77/701549877.db2.gz NWVQNEIABFKXFH-GOSISDBHSA-N 2 1 336.524 1.345 20 0 EDADMP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000940124439 700257934 /nfs/dbraw/zinc/25/79/34/700257934.db2.gz DHRAFRYPTSSUDW-HZPDHXFCSA-N 2 1 348.447 1.009 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)[nH]1 ZINC000939054999 699115816 /nfs/dbraw/zinc/11/58/16/699115816.db2.gz RYCMZTXCHNWQQR-HIFRSBDPSA-N 2 1 348.495 1.206 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)n1 ZINC000939055273 699116124 /nfs/dbraw/zinc/11/61/24/699116124.db2.gz WKOCATJRPKQUCY-XJKSGUPXSA-N 2 1 331.464 1.063 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc3nonc3c2)C1 ZINC001031777162 699162318 /nfs/dbraw/zinc/16/23/18/699162318.db2.gz XIDHCRXDVCWNHT-KRWDZBQOSA-N 2 1 343.431 1.255 20 0 EDADMP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1ncccn1 ZINC000939128262 699206448 /nfs/dbraw/zinc/20/64/48/699206448.db2.gz ITFYQVOABYBNTQ-GJZGRUSLSA-N 2 1 331.464 1.145 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1ncccn1 ZINC000939128262 699206450 /nfs/dbraw/zinc/20/64/50/699206450.db2.gz ITFYQVOABYBNTQ-GJZGRUSLSA-N 2 1 331.464 1.145 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)cn1 ZINC000939136855 699223334 /nfs/dbraw/zinc/22/33/34/699223334.db2.gz CKBWUKIEJWSMKU-RHSMWYFYSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)nc1 ZINC000939258502 699435798 /nfs/dbraw/zinc/43/57/98/699435798.db2.gz QRSSRYFFFLTNOW-WBVHZDCISA-N 2 1 345.491 1.453 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccccc1F ZINC000939316636 699506655 /nfs/dbraw/zinc/50/66/55/699506655.db2.gz SNPNYCVXUVOGEH-CRAIPNDOSA-N 2 1 349.450 1.485 20 0 EDADMP CC(C)CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941639735 701603202 /nfs/dbraw/zinc/60/32/02/701603202.db2.gz XNMSGMFOJSFSMC-QGZVFWFLSA-N 2 1 336.524 1.203 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000939748076 699894678 /nfs/dbraw/zinc/89/46/78/699894678.db2.gz NBPPWCCISHTKCW-WBMJQRKESA-N 2 1 331.395 1.362 20 0 EDADMP O=C(NCC1CN(Cc2ccns2)C1)c1ccc2cncn2c1 ZINC001031850037 699936008 /nfs/dbraw/zinc/93/60/08/699936008.db2.gz MBALQYIVGYXXEA-UHFFFAOYSA-N 2 1 327.413 1.653 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ncnn2C)CC1 ZINC000940141675 700269179 /nfs/dbraw/zinc/26/91/79/700269179.db2.gz BDLYKCHRLUGMHS-OAHLLOKOSA-N 2 1 348.495 1.160 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cncc(F)c2)CC1 ZINC000940329495 700508965 /nfs/dbraw/zinc/50/89/65/700508965.db2.gz UQTODALLUILCLW-WMLDXEAASA-N 2 1 348.466 1.889 20 0 EDADMP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000940329878 700509397 /nfs/dbraw/zinc/50/93/97/700509397.db2.gz ZDKMFZDIHWQECB-ZBFHGGJFSA-N 2 1 348.491 1.905 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC000940425995 700619338 /nfs/dbraw/zinc/61/93/38/700619338.db2.gz BFDDYBAFCWCMDZ-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000940426289 700620102 /nfs/dbraw/zinc/62/01/02/700620102.db2.gz NQHJHLXCLIVAEQ-CQSZACIVSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000940461461 700664587 /nfs/dbraw/zinc/66/45/87/700664587.db2.gz CBAMUFBXNFPGPV-INIZCTEOSA-N 2 1 334.464 1.589 20 0 EDADMP CCCc1noc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000940461488 700664671 /nfs/dbraw/zinc/66/46/71/700664671.db2.gz CWNCQZFBLDIARJ-UHFFFAOYSA-N 2 1 349.479 1.589 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940868280 700949212 /nfs/dbraw/zinc/94/92/12/700949212.db2.gz ZJEKFGLVEVPHKQ-INIZCTEOSA-N 2 1 330.432 1.811 20 0 EDADMP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000940892973 700968193 /nfs/dbraw/zinc/96/81/93/700968193.db2.gz LPXXCKQUAAISHA-YOEHRIQHSA-N 2 1 348.491 1.359 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000940892973 700968195 /nfs/dbraw/zinc/96/81/95/700968195.db2.gz LPXXCKQUAAISHA-YOEHRIQHSA-N 2 1 348.491 1.359 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940943709 701009986 /nfs/dbraw/zinc/00/99/86/701009986.db2.gz NAGSAKXFQOEVQK-HUUCEWRRSA-N 2 1 325.497 1.458 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027495 701067678 /nfs/dbraw/zinc/06/76/78/701067678.db2.gz GQVYIUIUORBHGW-OAHLLOKOSA-N 2 1 325.497 1.581 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027495 701067679 /nfs/dbraw/zinc/06/76/79/701067679.db2.gz GQVYIUIUORBHGW-OAHLLOKOSA-N 2 1 325.497 1.581 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027495 701067683 /nfs/dbraw/zinc/06/76/83/701067683.db2.gz GQVYIUIUORBHGW-OAHLLOKOSA-N 2 1 325.497 1.581 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941078659 701140323 /nfs/dbraw/zinc/14/03/23/701140323.db2.gz IEEUPMQDUWANFO-MRXNPFEDSA-N 2 1 325.497 1.581 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001031925310 701140772 /nfs/dbraw/zinc/14/07/72/701140772.db2.gz DOUQXFZHMLKJBB-LRDDRELGSA-N 2 1 334.464 1.570 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)o1 ZINC001031925310 701140774 /nfs/dbraw/zinc/14/07/74/701140774.db2.gz DOUQXFZHMLKJBB-LRDDRELGSA-N 2 1 334.464 1.570 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941080290 701142575 /nfs/dbraw/zinc/14/25/75/701142575.db2.gz WFMVLQIUNYXJKY-DOTOQJQBSA-N 2 1 339.524 1.970 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001032197483 701693869 /nfs/dbraw/zinc/69/38/69/701693869.db2.gz LKHYYTLMYUTKFE-QGZVFWFLSA-N 2 1 335.492 1.335 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001032197483 701693870 /nfs/dbraw/zinc/69/38/70/701693870.db2.gz LKHYYTLMYUTKFE-QGZVFWFLSA-N 2 1 335.492 1.335 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124522 701182352 /nfs/dbraw/zinc/18/23/52/701182352.db2.gz RGKLFCYPDISXFM-MRXNPFEDSA-N 2 1 325.497 1.581 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CCCCC3)C2)CC1 ZINC000941345497 701480957 /nfs/dbraw/zinc/48/09/57/701480957.db2.gz UXSBQQHGBMGBDZ-IBGZPJMESA-N 2 1 348.535 1.489 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3nccs3)C[C@H]2CC1 ZINC000946518541 706604363 /nfs/dbraw/zinc/60/43/63/706604363.db2.gz WETPGSGSROQIPR-OWCLPIDISA-N 2 1 348.516 1.908 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3nccs3)C[C@H]2CC1 ZINC000946518541 706604367 /nfs/dbraw/zinc/60/43/67/706604367.db2.gz WETPGSGSROQIPR-OWCLPIDISA-N 2 1 348.516 1.908 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3nccs3)C[C@H]2CC1 ZINC000946518541 706604370 /nfs/dbraw/zinc/60/43/70/706604370.db2.gz WETPGSGSROQIPR-OWCLPIDISA-N 2 1 348.516 1.908 20 0 EDADMP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941404364 701518922 /nfs/dbraw/zinc/51/89/22/701518922.db2.gz BFTPJFOSKPTWAD-SFHVURJKSA-N 2 1 336.524 1.344 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941443955 701535720 /nfs/dbraw/zinc/53/57/20/701535720.db2.gz XOSIDFVUBHAQRZ-INIZCTEOSA-N 2 1 340.487 1.049 20 0 EDADMP CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC000941432479 701538463 /nfs/dbraw/zinc/53/84/63/701538463.db2.gz ANMJQOHBNTWNOW-KRWDZBQOSA-N 2 1 336.524 1.203 20 0 EDADMP C[C@H]1C[N@@H+](CCF)CC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000944044911 701999587 /nfs/dbraw/zinc/99/95/87/701999587.db2.gz BCGNIVJZYVRORJ-YOEHRIQHSA-N 2 1 325.472 1.905 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCc3ccns3)C2)CC[N@H+]1C ZINC000999191513 706634076 /nfs/dbraw/zinc/63/40/76/706634076.db2.gz YUDTYQSFHQKVOX-IJEWVQPXSA-N 2 1 336.505 1.606 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC000999192150 706635008 /nfs/dbraw/zinc/63/50/08/706635008.db2.gz DEZDFWLMQYVZSF-XNRPHZJLSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC000999192150 706635010 /nfs/dbraw/zinc/63/50/10/706635010.db2.gz DEZDFWLMQYVZSF-XNRPHZJLSA-N 2 1 336.505 1.872 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995802756 702047203 /nfs/dbraw/zinc/04/72/03/702047203.db2.gz OHLFZUIPBFHTPA-DLBZAZTESA-N 2 1 347.507 1.620 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1 ZINC001031978374 702083352 /nfs/dbraw/zinc/08/33/52/702083352.db2.gz SGDBAOXGXXTLBV-KBXCAEBGSA-N 2 1 331.460 1.441 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3nnc(C)[nH]3)C(C)(C)C2)CC[N@H+]1C ZINC000995839180 702118359 /nfs/dbraw/zinc/11/83/59/702118359.db2.gz KFBAVBNPLAHOSR-ZNMIVQPWSA-N 2 1 348.495 1.170 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCn2nc(C)cc2C)C1 ZINC001032206341 702140320 /nfs/dbraw/zinc/14/03/20/702140320.db2.gz XRJDTUDCVRAYFR-GOSISDBHSA-N 2 1 347.507 1.422 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCc2nnc(C)[nH]2)C(C)(C)C1 ZINC000995869655 702166689 /nfs/dbraw/zinc/16/66/89/702166689.db2.gz HECMXVXWZWAREA-CABCVRRESA-N 2 1 348.495 1.314 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)[nH]2)C(C)(C)C1 ZINC000995869655 702166692 /nfs/dbraw/zinc/16/66/92/702166692.db2.gz HECMXVXWZWAREA-CABCVRRESA-N 2 1 348.495 1.314 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)[nH]2)C(C)(C)C1 ZINC000995869655 702166693 /nfs/dbraw/zinc/16/66/93/702166693.db2.gz HECMXVXWZWAREA-CABCVRRESA-N 2 1 348.495 1.314 20 0 EDADMP Cc1cccc(CCC[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001032182366 702196699 /nfs/dbraw/zinc/19/66/99/702196699.db2.gz KYLZQYPDQNBYON-LJQANCHMSA-N 2 1 329.488 1.927 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)c(C)o1 ZINC000995894721 702197506 /nfs/dbraw/zinc/19/75/06/702197506.db2.gz KTHRDKLJJWZYJM-SJORKVTESA-N 2 1 348.491 1.958 20 0 EDADMP C[C@H]([NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C)c1nncn1C ZINC000995886914 702224392 /nfs/dbraw/zinc/22/43/92/702224392.db2.gz LRZDYDLKFFDEAV-KBPBESRZSA-N 2 1 348.495 1.187 20 0 EDADMP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995917270 702234760 /nfs/dbraw/zinc/23/47/60/702234760.db2.gz UELFMIREMDUMCD-NVXWUHKLSA-N 2 1 347.507 1.621 20 0 EDADMP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995920183 702241681 /nfs/dbraw/zinc/24/16/81/702241681.db2.gz TVABWCCVYJLSQF-OAHLLOKOSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995920183 702241684 /nfs/dbraw/zinc/24/16/84/702241684.db2.gz TVABWCCVYJLSQF-OAHLLOKOSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995922474 702245829 /nfs/dbraw/zinc/24/58/29/702245829.db2.gz DIGGPMONRJTDPW-GJZGRUSLSA-N 2 1 337.468 1.291 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCOc3ccccc3F)C2)C1 ZINC001032186817 702284776 /nfs/dbraw/zinc/28/47/76/702284776.db2.gz XLVKWDRUCSJERE-OAHLLOKOSA-N 2 1 335.423 1.204 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCOc3ccccc3F)C2)C1 ZINC001032186817 702284782 /nfs/dbraw/zinc/28/47/82/702284782.db2.gz XLVKWDRUCSJERE-OAHLLOKOSA-N 2 1 335.423 1.204 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC3CCCC3)C(C)(C)C2)O1 ZINC000995961168 702327963 /nfs/dbraw/zinc/32/79/63/702327963.db2.gz WHRQZKZAUXIRDJ-DJIMGWMZSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC3CCCC3)C(C)(C)C2)O1 ZINC000995961168 702327970 /nfs/dbraw/zinc/32/79/70/702327970.db2.gz WHRQZKZAUXIRDJ-DJIMGWMZSA-N 2 1 337.508 1.722 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995984921 702345240 /nfs/dbraw/zinc/34/52/40/702345240.db2.gz VXNWCQJJGMCGBL-HOTGVXAUSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995984921 702345245 /nfs/dbraw/zinc/34/52/45/702345245.db2.gz VXNWCQJJGMCGBL-HOTGVXAUSA-N 2 1 334.464 1.794 20 0 EDADMP CCn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995986580 702348147 /nfs/dbraw/zinc/34/81/47/702348147.db2.gz YXIJPMFYIAXUQP-JKSUJKDBSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995986580 702348153 /nfs/dbraw/zinc/34/81/53/702348153.db2.gz YXIJPMFYIAXUQP-JKSUJKDBSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995986621 702348324 /nfs/dbraw/zinc/34/83/24/702348324.db2.gz ZCUCWHLDANDCQY-GOEBONIOSA-N 2 1 334.464 1.794 20 0 EDADMP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)cn1 ZINC000995974043 702358936 /nfs/dbraw/zinc/35/89/36/702358936.db2.gz HGSFAUTZXACFKF-DLBZAZTESA-N 2 1 347.507 1.274 20 0 EDADMP Cc1conc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944170434 702413956 /nfs/dbraw/zinc/41/39/56/702413956.db2.gz TURNEAHEGXAWIQ-UKRRQHHQSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1conc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944170434 702413959 /nfs/dbraw/zinc/41/39/59/702413959.db2.gz TURNEAHEGXAWIQ-UKRRQHHQSA-N 2 1 332.448 1.405 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cncc(F)c2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944155791 702450253 /nfs/dbraw/zinc/45/02/53/702450253.db2.gz QHKUPGUQIJSHNO-PBHICJAKSA-N 2 1 346.450 1.643 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944155791 702450258 /nfs/dbraw/zinc/45/02/58/702450258.db2.gz QHKUPGUQIJSHNO-PBHICJAKSA-N 2 1 346.450 1.643 20 0 EDADMP CCn1ccnc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944156912 702453489 /nfs/dbraw/zinc/45/34/89/702453489.db2.gz WSTGHYKPRDBFSE-CVEARBPZSA-N 2 1 345.491 1.325 20 0 EDADMP CCn1ccnc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944156912 702453495 /nfs/dbraw/zinc/45/34/95/702453495.db2.gz WSTGHYKPRDBFSE-CVEARBPZSA-N 2 1 345.491 1.325 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)cn2)C(C)(C)C1 ZINC000996058739 702467591 /nfs/dbraw/zinc/46/75/91/702467591.db2.gz LIMBIALCKZKPBU-MRXNPFEDSA-N 2 1 342.447 1.317 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000995199308 702480845 /nfs/dbraw/zinc/48/08/45/702480845.db2.gz PMCWLHRSLGMVHC-CVEARBPZSA-N 2 1 327.432 1.661 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H](NCc3cnon3)C(C)(C)C2)CC[N@H+]1C ZINC000996198212 702624988 /nfs/dbraw/zinc/62/49/88/702624988.db2.gz UFQPPIKPHIICFM-KCQAQPDRSA-N 2 1 335.452 1.127 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3cnon3)C(C)(C)C2)CC[N@@H+]1C ZINC000996198212 702624992 /nfs/dbraw/zinc/62/49/92/702624992.db2.gz UFQPPIKPHIICFM-KCQAQPDRSA-N 2 1 335.452 1.127 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3cnon3)C(C)(C)C2)CC[N@H+]1C ZINC000996198212 702624995 /nfs/dbraw/zinc/62/49/95/702624995.db2.gz UFQPPIKPHIICFM-KCQAQPDRSA-N 2 1 335.452 1.127 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)[nH]1 ZINC000996223300 702633304 /nfs/dbraw/zinc/63/33/04/702633304.db2.gz PYPOPNFHQRPGFC-IUODEOHRSA-N 2 1 348.495 1.343 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)C(C)(C)C1 ZINC000996302592 702694864 /nfs/dbraw/zinc/69/48/64/702694864.db2.gz XPABTAHEDALOID-DOTOQJQBSA-N 2 1 347.507 1.274 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC3CC3)C(C)(C)C1)C2 ZINC000996310725 702700170 /nfs/dbraw/zinc/70/01/70/702700170.db2.gz PBXFFIFUARGMNX-NVXWUHKLSA-N 2 1 330.476 1.991 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H](NCc3ncccn3)C(C)(C)C2)C1 ZINC000996312135 702701014 /nfs/dbraw/zinc/70/10/14/702701014.db2.gz WQYYDQALVWBWAU-HNNXBMFYSA-N 2 1 345.491 1.535 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)C1 ZINC000996312135 702701017 /nfs/dbraw/zinc/70/10/17/702701017.db2.gz WQYYDQALVWBWAU-HNNXBMFYSA-N 2 1 345.491 1.535 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996463427 702790904 /nfs/dbraw/zinc/79/09/04/702790904.db2.gz GPSRDJGJOLQFGN-AWEZNQCLSA-N 2 1 337.493 1.492 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)nc1 ZINC000996465600 702792782 /nfs/dbraw/zinc/79/27/82/702792782.db2.gz XHXLGDAVZBUQES-KRWDZBQOSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996515269 702850943 /nfs/dbraw/zinc/85/09/43/702850943.db2.gz PRGWBCDMZMAACH-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cscn1 ZINC000996518375 702853777 /nfs/dbraw/zinc/85/37/77/702853777.db2.gz DPNYZGTXLOBFSM-CQSZACIVSA-N 2 1 334.489 1.566 20 0 EDADMP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1nccs1 ZINC000996518369 702853839 /nfs/dbraw/zinc/85/38/39/702853839.db2.gz DNWRUPCQUPKYSF-ZDUSSCGKSA-N 2 1 334.489 1.566 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]Cc3ccns3)C(C)(C)C2)C1 ZINC000996518562 702854323 /nfs/dbraw/zinc/85/43/23/702854323.db2.gz KWEYAKHSJWVSJW-ZFWWWQNUSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000996562201 702876127 /nfs/dbraw/zinc/87/61/27/702876127.db2.gz WGWPNLBYTRTFKC-WBMJQRKESA-N 2 1 347.463 1.361 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCc3cnn(C)c3)CC2)CC[N@H+]1C ZINC000996602774 702903393 /nfs/dbraw/zinc/90/33/93/702903393.db2.gz GHBDBOWZXVSQKH-ZWKOTPCHSA-N 2 1 347.507 1.274 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ncc(C)cn3)CC2)CC[N@H+]1C ZINC000996601914 702908871 /nfs/dbraw/zinc/90/88/71/702908871.db2.gz BKFPHHAJEUXOFL-DLBZAZTESA-N 2 1 345.491 1.596 20 0 EDADMP CCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC000996606365 702909701 /nfs/dbraw/zinc/90/97/01/702909701.db2.gz GPXZPYGLLHKEKU-TZMCWYRMSA-N 2 1 335.452 1.053 20 0 EDADMP CCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC000996606365 702909702 /nfs/dbraw/zinc/90/97/02/702909702.db2.gz GPXZPYGLLHKEKU-TZMCWYRMSA-N 2 1 335.452 1.053 20 0 EDADMP COc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC000996607363 702910592 /nfs/dbraw/zinc/91/05/92/702910592.db2.gz NRSHEVUFOBFQMD-RDTXWAMCSA-N 2 1 346.475 1.511 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3ncc(C4CC4)o3)C(C)(C)C2)C1 ZINC000996619071 702925430 /nfs/dbraw/zinc/92/54/30/702925430.db2.gz YKSQSPUVWDTQSJ-HOCLYGCPSA-N 2 1 346.475 1.830 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3ncc(C4CC4)o3)C(C)(C)C2)C1 ZINC000996619071 702925431 /nfs/dbraw/zinc/92/54/31/702925431.db2.gz YKSQSPUVWDTQSJ-HOCLYGCPSA-N 2 1 346.475 1.830 20 0 EDADMP CCc1nocc1C[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000996664194 702961500 /nfs/dbraw/zinc/96/15/00/702961500.db2.gz GPJOCGYZKBPOTI-UHFFFAOYSA-N 2 1 334.464 1.802 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1)C1CCC1 ZINC000996665460 702967807 /nfs/dbraw/zinc/96/78/07/702967807.db2.gz MBODIZSGYPKOCG-UHFFFAOYSA-N 2 1 345.487 1.744 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000996677480 702976516 /nfs/dbraw/zinc/97/65/16/702976516.db2.gz KFKRWWCQGGIIHN-HNNXBMFYSA-N 2 1 345.472 1.998 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)no1 ZINC000996678277 702977097 /nfs/dbraw/zinc/97/70/97/702977097.db2.gz LXMCXADIWJGGCJ-XHDPSFHLSA-N 2 1 335.452 1.360 20 0 EDADMP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000996679642 702978413 /nfs/dbraw/zinc/97/84/13/702978413.db2.gz QNEHKHKLBIFWER-MRXNPFEDSA-N 2 1 343.431 1.838 20 0 EDADMP Cn1nccc1CC[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996691108 702988435 /nfs/dbraw/zinc/98/84/35/702988435.db2.gz SDRIZZUAYHIJBZ-KRWDZBQOSA-N 2 1 347.507 1.418 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996749136 703034485 /nfs/dbraw/zinc/03/44/85/703034485.db2.gz QLQXGZPKQFKDPO-QGZVFWFLSA-N 2 1 334.464 1.876 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCOC3)CC2)C1 ZINC000996903009 703177567 /nfs/dbraw/zinc/17/75/67/703177567.db2.gz GKARPDCYRUGSDJ-IRXDYDNUSA-N 2 1 337.508 1.726 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3nncn3C)CC2)C1 ZINC000996904044 703178556 /nfs/dbraw/zinc/17/85/56/703178556.db2.gz LYSHAPVRFLDZJR-OAHLLOKOSA-N 2 1 348.495 1.018 20 0 EDADMP C[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3nc(C4CC4)no3)CC2)CC1 ZINC000996945969 703214783 /nfs/dbraw/zinc/21/47/83/703214783.db2.gz LWJVIPSFXVYNJT-UHFFFAOYSA-N 2 1 347.463 1.369 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000996977192 703242203 /nfs/dbraw/zinc/24/22/03/703242203.db2.gz HHHDGPFSZDWHGC-PBHICJAKSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000996977192 703242206 /nfs/dbraw/zinc/24/22/06/703242206.db2.gz HHHDGPFSZDWHGC-PBHICJAKSA-N 2 1 333.480 1.231 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)[nH]1 ZINC000996995177 703251697 /nfs/dbraw/zinc/25/16/97/703251697.db2.gz LWOPSUWFQJXNHD-CQSZACIVSA-N 2 1 348.495 1.493 20 0 EDADMP CCOC1CC(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000997002559 703259193 /nfs/dbraw/zinc/25/91/93/703259193.db2.gz XBPCPISFINTWNH-HJOIGYKYSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000997007714 703264771 /nfs/dbraw/zinc/26/47/71/703264771.db2.gz JJBGYONHFDIRKA-QAPCUYQASA-N 2 1 337.508 1.581 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000997007323 703264822 /nfs/dbraw/zinc/26/48/22/703264822.db2.gz QCFDTBAIHRJERL-ZDUSSCGKSA-N 2 1 329.435 1.954 20 0 EDADMP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000997009153 703269544 /nfs/dbraw/zinc/26/95/44/703269544.db2.gz YNNDULNUKGOGPF-DYVFJYSZSA-N 2 1 329.460 1.160 20 0 EDADMP CC[C@@H](C(=O)N1CCC([NH2+]Cc2nnc(C(C)C)o2)CC1)[NH+](C)C ZINC000997011141 703271235 /nfs/dbraw/zinc/27/12/35/703271235.db2.gz WTJWDUUWZKOLDG-AWEZNQCLSA-N 2 1 337.468 1.614 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000997061983 703313107 /nfs/dbraw/zinc/31/31/07/703313107.db2.gz KRSBSNQMVCNCHZ-SJLPKXTDSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cncn2C)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821158 703329315 /nfs/dbraw/zinc/32/93/15/703329315.db2.gz CKOXBUMJEKEUSS-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[NH+](Cc2cncn2C)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821158 703329318 /nfs/dbraw/zinc/32/93/18/703329318.db2.gz CKOXBUMJEKEUSS-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[NH+](Cc2cncn2C)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821158 703329321 /nfs/dbraw/zinc/32/93/21/703329321.db2.gz CKOXBUMJEKEUSS-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP CN(C)c1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000997300411 703543892 /nfs/dbraw/zinc/54/38/92/703543892.db2.gz UKVVJENTACDLKR-QGZVFWFLSA-N 2 1 344.503 1.785 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997301794 703544894 /nfs/dbraw/zinc/54/48/94/703544894.db2.gz GVJZPXGIEXKVTO-GJZGRUSLSA-N 2 1 331.464 1.378 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3nc(C4CCC4)no3)CC2)C1 ZINC000997296697 703555457 /nfs/dbraw/zinc/55/54/57/703555457.db2.gz BBTDOLLVVVFIOO-CQSZACIVSA-N 2 1 347.463 1.369 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3nc(C4CCC4)no3)CC2)C1 ZINC000997296697 703555458 /nfs/dbraw/zinc/55/54/58/703555458.db2.gz BBTDOLLVVVFIOO-CQSZACIVSA-N 2 1 347.463 1.369 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000997366650 703600522 /nfs/dbraw/zinc/60/05/22/703600522.db2.gz IPYAZDYRIISBOY-BBRMVZONSA-N 2 1 348.495 1.629 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)n1 ZINC000997368227 703605994 /nfs/dbraw/zinc/60/59/94/703605994.db2.gz CYOXFMCFDXGOGF-QGZVFWFLSA-N 2 1 349.479 1.579 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC1 ZINC001032444013 703621121 /nfs/dbraw/zinc/62/11/21/703621121.db2.gz HOHWQBQLNPJTMI-OKZBNKHCSA-N 2 1 333.476 1.325 20 0 EDADMP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC1 ZINC001032444013 703621124 /nfs/dbraw/zinc/62/11/24/703621124.db2.gz HOHWQBQLNPJTMI-OKZBNKHCSA-N 2 1 333.476 1.325 20 0 EDADMP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC1 ZINC001032444013 703621126 /nfs/dbraw/zinc/62/11/26/703621126.db2.gz HOHWQBQLNPJTMI-OKZBNKHCSA-N 2 1 333.476 1.325 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC3(CCC3)C2)O1 ZINC001032473290 703690826 /nfs/dbraw/zinc/69/08/26/703690826.db2.gz JWEROQKZQXSGJU-LAVFITLUSA-N 2 1 347.503 1.571 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC3(CCC3)C2)O1 ZINC001032473290 703690828 /nfs/dbraw/zinc/69/08/28/703690828.db2.gz JWEROQKZQXSGJU-LAVFITLUSA-N 2 1 347.503 1.571 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC3(CCC3)C2)O1 ZINC001032473290 703690830 /nfs/dbraw/zinc/69/08/30/703690830.db2.gz JWEROQKZQXSGJU-LAVFITLUSA-N 2 1 347.503 1.571 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC3(CCC3)C2)O1 ZINC001032473290 703690832 /nfs/dbraw/zinc/69/08/32/703690832.db2.gz JWEROQKZQXSGJU-LAVFITLUSA-N 2 1 347.503 1.571 20 0 EDADMP CC[C@@H](CN1CC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1)OC ZINC001042901147 703737015 /nfs/dbraw/zinc/73/70/15/703737015.db2.gz XYAYDAPUZCJMRG-WBVHZDCISA-N 2 1 325.497 1.532 20 0 EDADMP CC[C@@H](C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1)OC ZINC001042901147 703737016 /nfs/dbraw/zinc/73/70/16/703737016.db2.gz XYAYDAPUZCJMRG-WBVHZDCISA-N 2 1 325.497 1.532 20 0 EDADMP CC[C@@H](C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1)OC ZINC001042901147 703737017 /nfs/dbraw/zinc/73/70/17/703737017.db2.gz XYAYDAPUZCJMRG-WBVHZDCISA-N 2 1 325.497 1.532 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1)C12CCC[NH+]1CCC2 ZINC001032498489 703797497 /nfs/dbraw/zinc/79/74/97/703797497.db2.gz XAGWIFRKYQXWBA-ROUUACIJSA-N 2 1 347.503 1.717 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000997615736 703914867 /nfs/dbraw/zinc/91/48/67/703914867.db2.gz WSYHMEBZHLMPCA-GDBMZVCRSA-N 2 1 334.464 1.966 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)ncn1 ZINC001004202637 703935225 /nfs/dbraw/zinc/93/52/25/703935225.db2.gz FKJSPDMRKOINRQ-HZPDHXFCSA-N 2 1 345.491 1.738 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2conc2C)CC1 ZINC001004207771 703967234 /nfs/dbraw/zinc/96/72/34/703967234.db2.gz JDLNCZSPUNFPFO-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2conc2C)CC1 ZINC001004207771 703967237 /nfs/dbraw/zinc/96/72/37/703967237.db2.gz JDLNCZSPUNFPFO-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nnc(C)[nH]3)C2)C1 ZINC000999286552 706779666 /nfs/dbraw/zinc/77/96/66/706779666.db2.gz AEQCWLJHMPPQEO-QQFBHYJXSA-N 2 1 348.495 1.314 20 0 EDADMP Cc1ncoc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033071365 704092874 /nfs/dbraw/zinc/09/28/74/704092874.db2.gz ZKQNIOIWADOUNO-JKSUJKDBSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1ncoc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033071365 704092876 /nfs/dbraw/zinc/09/28/76/704092876.db2.gz ZKQNIOIWADOUNO-JKSUJKDBSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033071365 704092879 /nfs/dbraw/zinc/09/28/79/704092879.db2.gz ZKQNIOIWADOUNO-JKSUJKDBSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033071365 704092881 /nfs/dbraw/zinc/09/28/81/704092881.db2.gz ZKQNIOIWADOUNO-JKSUJKDBSA-N 2 1 334.464 1.889 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033074141 704117025 /nfs/dbraw/zinc/11/70/25/704117025.db2.gz WGDZQGYLUPDRGF-ZWKOTPCHSA-N 2 1 330.476 1.987 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033074141 704117026 /nfs/dbraw/zinc/11/70/26/704117026.db2.gz WGDZQGYLUPDRGF-ZWKOTPCHSA-N 2 1 330.476 1.987 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033074141 704117028 /nfs/dbraw/zinc/11/70/28/704117028.db2.gz WGDZQGYLUPDRGF-ZWKOTPCHSA-N 2 1 330.476 1.987 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033074141 704117030 /nfs/dbraw/zinc/11/70/30/704117030.db2.gz WGDZQGYLUPDRGF-ZWKOTPCHSA-N 2 1 330.476 1.987 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033081739 704137601 /nfs/dbraw/zinc/13/76/01/704137601.db2.gz NSPMQNOFEKDJHN-ROUUACIJSA-N 2 1 345.491 1.103 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033081944 704137939 /nfs/dbraw/zinc/13/79/39/704137939.db2.gz LTDOAZCNXDAJBO-WMZOPIPTSA-N 2 1 337.508 1.961 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033081944 704137940 /nfs/dbraw/zinc/13/79/40/704137940.db2.gz LTDOAZCNXDAJBO-WMZOPIPTSA-N 2 1 337.508 1.961 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033081944 704137941 /nfs/dbraw/zinc/13/79/41/704137941.db2.gz LTDOAZCNXDAJBO-WMZOPIPTSA-N 2 1 337.508 1.961 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@H]2CCCO2)CC1 ZINC001032710445 706793256 /nfs/dbraw/zinc/79/32/56/706793256.db2.gz AHPYFDMAOSZSDV-GBESFXJTSA-N 2 1 349.519 1.961 20 0 EDADMP CC[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084713 704154928 /nfs/dbraw/zinc/15/49/28/704154928.db2.gz KKANFESLCSOYLT-HZPDHXFCSA-N 2 1 335.496 1.637 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCOc3ccccc3)C2)CC[N@H+]1C ZINC001033093182 704169978 /nfs/dbraw/zinc/16/99/78/704169978.db2.gz XRKCMQKBSSMUAH-ZIFCJYIRSA-N 2 1 345.487 1.938 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCOc3ccccc3)C2)CC[NH+]1C ZINC001033093182 704169979 /nfs/dbraw/zinc/16/99/79/704169979.db2.gz XRKCMQKBSSMUAH-ZIFCJYIRSA-N 2 1 345.487 1.938 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCOc3ccccc3)C2)CC[NH+]1C ZINC001033093182 704169980 /nfs/dbraw/zinc/16/99/80/704169980.db2.gz XRKCMQKBSSMUAH-ZIFCJYIRSA-N 2 1 345.487 1.938 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]2CC1 ZINC000946592349 704242824 /nfs/dbraw/zinc/24/28/24/704242824.db2.gz IPXJGAVVBXRAFI-FGTMMUONSA-N 2 1 337.483 1.858 20 0 EDADMP CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597753 704294237 /nfs/dbraw/zinc/29/42/37/704294237.db2.gz IQFYQXJETICEBG-ZSYWTGECSA-N 2 1 349.519 1.676 20 0 EDADMP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597753 704294238 /nfs/dbraw/zinc/29/42/38/704294238.db2.gz IQFYQXJETICEBG-ZSYWTGECSA-N 2 1 349.519 1.676 20 0 EDADMP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597753 704294239 /nfs/dbraw/zinc/29/42/39/704294239.db2.gz IQFYQXJETICEBG-ZSYWTGECSA-N 2 1 349.519 1.676 20 0 EDADMP CCO[C@H](C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)C[NH+](C)C ZINC000922757240 704316775 /nfs/dbraw/zinc/31/67/75/704316775.db2.gz XGPIXWRIGPNYSG-SWKXRBFHSA-N 2 1 341.496 1.942 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nonc2C)C1 ZINC000999308701 706809418 /nfs/dbraw/zinc/80/94/18/706809418.db2.gz RLHAZVVHEDRNAM-HOCLYGCPSA-N 2 1 335.452 1.333 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nonc2C)C1 ZINC000999308701 706809419 /nfs/dbraw/zinc/80/94/19/706809419.db2.gz RLHAZVVHEDRNAM-HOCLYGCPSA-N 2 1 335.452 1.333 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004382101 704360919 /nfs/dbraw/zinc/36/09/19/704360919.db2.gz SWGOZYYGQNNYME-MSOLQXFVSA-N 2 1 337.508 1.676 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004382101 704360921 /nfs/dbraw/zinc/36/09/21/704360921.db2.gz SWGOZYYGQNNYME-MSOLQXFVSA-N 2 1 337.508 1.676 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001004382101 704360922 /nfs/dbraw/zinc/36/09/22/704360922.db2.gz SWGOZYYGQNNYME-MSOLQXFVSA-N 2 1 337.508 1.676 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001004382101 704360924 /nfs/dbraw/zinc/36/09/24/704360924.db2.gz SWGOZYYGQNNYME-MSOLQXFVSA-N 2 1 337.508 1.676 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999306682 706811606 /nfs/dbraw/zinc/81/16/06/706811606.db2.gz LDHNNVIZAKCBFY-SJORKVTESA-N 2 1 333.480 1.375 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000922851906 704438647 /nfs/dbraw/zinc/43/86/47/704438647.db2.gz CHQGMEYZFNBOHW-OWCLPIDISA-N 2 1 340.537 1.597 20 0 EDADMP C[NH+]1CCC[C@H](CCNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000922851906 704438649 /nfs/dbraw/zinc/43/86/49/704438649.db2.gz CHQGMEYZFNBOHW-OWCLPIDISA-N 2 1 340.537 1.597 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1)[NH+](C)C ZINC001004462073 704455565 /nfs/dbraw/zinc/45/55/65/704455565.db2.gz CUCJIYTYASORBB-ROUUACIJSA-N 2 1 339.524 1.658 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2(C)C)cc1 ZINC000995586914 704551594 /nfs/dbraw/zinc/55/15/94/704551594.db2.gz JNXOKQWRUZVLGE-ROUUACIJSA-N 2 1 345.487 1.652 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2(C)C)cc1 ZINC000995586914 704551595 /nfs/dbraw/zinc/55/15/95/704551595.db2.gz JNXOKQWRUZVLGE-ROUUACIJSA-N 2 1 345.487 1.652 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CC3CC4(CCC4)C3)C(C)(C)C2)C1 ZINC000995604397 704567711 /nfs/dbraw/zinc/56/77/11/704567711.db2.gz LSQSBLIBAIHZIE-SJORKVTESA-N 2 1 349.519 1.724 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CC3CC4(CCC4)C3)C(C)(C)C2)C1 ZINC000995604397 704567712 /nfs/dbraw/zinc/56/77/12/704567712.db2.gz LSQSBLIBAIHZIE-SJORKVTESA-N 2 1 349.519 1.724 20 0 EDADMP C[NH+](C)CCc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032539914 704594612 /nfs/dbraw/zinc/59/46/12/704594612.db2.gz JQQBPHPACJWFRC-IRXDYDNUSA-N 2 1 331.460 1.072 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C)o1 ZINC000947936661 704668041 /nfs/dbraw/zinc/66/80/41/704668041.db2.gz XLJDWAITWXJAPU-CZUORRHYSA-N 2 1 346.475 1.856 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997822868 704742778 /nfs/dbraw/zinc/74/27/78/704742778.db2.gz HDVLQUZHTWSVAG-INIZCTEOSA-N 2 1 343.431 1.777 20 0 EDADMP Cc1nocc1C[NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000997830353 704749045 /nfs/dbraw/zinc/74/90/45/704749045.db2.gz IRDDLYXPELDAPH-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP CCn1ncc(C[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000997832109 704750368 /nfs/dbraw/zinc/75/03/68/704750368.db2.gz YZRZTSUTBPDNID-UHFFFAOYSA-N 2 1 348.495 1.111 20 0 EDADMP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2ccon2)CC1 ZINC000997835920 704753446 /nfs/dbraw/zinc/75/34/46/704753446.db2.gz DEOBJCOGLSEOAL-AWEZNQCLSA-N 2 1 332.448 1.487 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CCCF)CC2)C1 ZINC000997871348 704777127 /nfs/dbraw/zinc/77/71/27/704777127.db2.gz OPMWBXSEEHNPRL-GOEBONIOSA-N 2 1 329.460 1.283 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CCCF)CC2)C1 ZINC000997871348 704777129 /nfs/dbraw/zinc/77/71/29/704777129.db2.gz OPMWBXSEEHNPRL-GOEBONIOSA-N 2 1 329.460 1.283 20 0 EDADMP CC(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCCN1C1CCCC1 ZINC001032585427 705062214 /nfs/dbraw/zinc/06/22/14/705062214.db2.gz IGODZDXZBLDBIQ-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998024636 705209649 /nfs/dbraw/zinc/20/96/49/705209649.db2.gz ZAXVHNPCYPSLAE-MSOLQXFVSA-N 2 1 339.524 1.660 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)[C@H]1CCC[NH+](CCO)CC1 ZINC000998024636 705209650 /nfs/dbraw/zinc/20/96/50/705209650.db2.gz ZAXVHNPCYPSLAE-MSOLQXFVSA-N 2 1 339.524 1.660 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)[C@H]1CCC[NH+](CCO)CC1 ZINC000998024636 705209652 /nfs/dbraw/zinc/20/96/52/705209652.db2.gz ZAXVHNPCYPSLAE-MSOLQXFVSA-N 2 1 339.524 1.660 20 0 EDADMP CCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998029507 705212588 /nfs/dbraw/zinc/21/25/88/705212588.db2.gz FQVUXMFGFBMQPO-CVEARBPZSA-N 2 1 334.464 1.456 20 0 EDADMP CCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998029507 705212589 /nfs/dbraw/zinc/21/25/89/705212589.db2.gz FQVUXMFGFBMQPO-CVEARBPZSA-N 2 1 334.464 1.456 20 0 EDADMP Cc1conc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998078818 705291829 /nfs/dbraw/zinc/29/18/29/705291829.db2.gz MOAWWGAIGSUYID-XJKSGUPXSA-N 2 1 334.464 1.509 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000998076582 705296476 /nfs/dbraw/zinc/29/64/76/705296476.db2.gz AHRJZBRMZXQNEO-DOMZBBRYSA-N 2 1 337.493 1.064 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000998076582 705296479 /nfs/dbraw/zinc/29/64/79/705296479.db2.gz AHRJZBRMZXQNEO-DOMZBBRYSA-N 2 1 337.493 1.064 20 0 EDADMP Cc1nocc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998076724 705296866 /nfs/dbraw/zinc/29/68/66/705296866.db2.gz CRZIHWLNVPBBPO-SUMWQHHRSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1ncoc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000998082120 705308679 /nfs/dbraw/zinc/30/86/79/705308679.db2.gz NPFYIXHRZRHURE-CQSZACIVSA-N 2 1 334.464 1.796 20 0 EDADMP CCn1ccc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000998083018 705311144 /nfs/dbraw/zinc/31/11/44/705311144.db2.gz STICFFFLDOOQMV-MRXNPFEDSA-N 2 1 347.507 1.573 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000998187015 705490981 /nfs/dbraw/zinc/49/09/81/705490981.db2.gz CDDVTIAASVXZBL-IRXDYDNUSA-N 2 1 341.496 1.057 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000998187015 705490985 /nfs/dbraw/zinc/49/09/85/705490985.db2.gz CDDVTIAASVXZBL-IRXDYDNUSA-N 2 1 341.496 1.057 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@H]1CCC[NH+](CCOC)CC1 ZINC000998187015 705490988 /nfs/dbraw/zinc/49/09/88/705490988.db2.gz CDDVTIAASVXZBL-IRXDYDNUSA-N 2 1 341.496 1.057 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@H]1CCC[NH+](CCOC)CC1 ZINC000998187015 705490991 /nfs/dbraw/zinc/49/09/91/705490991.db2.gz CDDVTIAASVXZBL-IRXDYDNUSA-N 2 1 341.496 1.057 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](Cc2nnc(C)o2)CC1 ZINC000998191172 705499364 /nfs/dbraw/zinc/49/93/64/705499364.db2.gz TYWRLAASNGCWDA-CVEARBPZSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@@H+](Cc2nnc(C)o2)CC1 ZINC000998191172 705499366 /nfs/dbraw/zinc/49/93/66/705499366.db2.gz TYWRLAASNGCWDA-CVEARBPZSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](Cc2nnc(C)o2)CC1 ZINC000998191172 705499367 /nfs/dbraw/zinc/49/93/67/705499367.db2.gz TYWRLAASNGCWDA-CVEARBPZSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](Cc2nnc(C)o2)CC1 ZINC000998191172 705499370 /nfs/dbraw/zinc/49/93/70/705499370.db2.gz TYWRLAASNGCWDA-CVEARBPZSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000998191115 705499640 /nfs/dbraw/zinc/49/96/40/705499640.db2.gz SOVHJYFTRVZOSR-QZTJIDSGSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000998191115 705499644 /nfs/dbraw/zinc/49/96/44/705499644.db2.gz SOVHJYFTRVZOSR-QZTJIDSGSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000998191115 705499647 /nfs/dbraw/zinc/49/96/47/705499647.db2.gz SOVHJYFTRVZOSR-QZTJIDSGSA-N 2 1 347.507 1.575 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC000998221683 705547470 /nfs/dbraw/zinc/54/74/70/705547470.db2.gz GAKZTDPHDJVXNU-UHFFFAOYSA-N 2 1 347.463 1.056 20 0 EDADMP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998274826 705657791 /nfs/dbraw/zinc/65/77/91/705657791.db2.gz WDLMLUIXRLSFKD-MRXNPFEDSA-N 2 1 333.480 1.183 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000998284360 705678745 /nfs/dbraw/zinc/67/87/45/705678745.db2.gz BHINZMDQKUHSJH-KRWDZBQOSA-N 2 1 345.491 1.679 20 0 EDADMP CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001032629827 705755452 /nfs/dbraw/zinc/75/54/52/705755452.db2.gz MQUHMNRXRKRAHL-GJZGRUSLSA-N 2 1 332.448 1.825 20 0 EDADMP CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001032629827 705755456 /nfs/dbraw/zinc/75/54/56/705755456.db2.gz MQUHMNRXRKRAHL-GJZGRUSLSA-N 2 1 332.448 1.825 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]CCn2cc(Cl)cn2)C1 ZINC000998548287 705983431 /nfs/dbraw/zinc/98/34/31/705983431.db2.gz FZOOHRYWHFDPGT-YMAMQOFZSA-N 2 1 339.871 1.210 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC(NCc2nc(C(C)(C)C)no2)C1 ZINC000998549186 705985179 /nfs/dbraw/zinc/98/51/79/705985179.db2.gz KQTPFDBQKMZQAY-RUXDESIVSA-N 2 1 349.479 1.540 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC000998549186 705985186 /nfs/dbraw/zinc/98/51/86/705985186.db2.gz KQTPFDBQKMZQAY-RUXDESIVSA-N 2 1 349.479 1.540 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000998552912 705990422 /nfs/dbraw/zinc/99/04/22/705990422.db2.gz UQBUOGHNRIEKCS-JCYILVPMSA-N 2 1 347.507 1.811 20 0 EDADMP Cc1ccc(CC[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000998587538 706026887 /nfs/dbraw/zinc/02/68/87/706026887.db2.gz WARYGRCFQRRZNT-CTWPCTMYSA-N 2 1 345.487 1.447 20 0 EDADMP Cc1ccc(CC[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000998587538 706026890 /nfs/dbraw/zinc/02/68/90/706026890.db2.gz WARYGRCFQRRZNT-CTWPCTMYSA-N 2 1 345.487 1.447 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)ccn1 ZINC000998725732 706160698 /nfs/dbraw/zinc/16/06/98/706160698.db2.gz XWNJNVRRBAWXOT-CVEARBPZSA-N 2 1 332.448 1.265 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000998732357 706165341 /nfs/dbraw/zinc/16/53/41/706165341.db2.gz RSAVQSWPUDFNEZ-SJORKVTESA-N 2 1 333.480 1.175 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc1 ZINC000998781281 706222543 /nfs/dbraw/zinc/22/25/43/706222543.db2.gz TVIRDYNPWOBASC-JCYILVPMSA-N 2 1 343.475 1.206 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ncc(C)cn3)C2)CC[N@@H+]1C ZINC000998791239 706238027 /nfs/dbraw/zinc/23/80/27/706238027.db2.gz KMKBEFUKYMXHFY-SJJHQCBESA-N 2 1 345.491 1.594 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ncc(C)cn3)C2)CC[N@H+]1C ZINC000998791239 706238031 /nfs/dbraw/zinc/23/80/31/706238031.db2.gz KMKBEFUKYMXHFY-SJJHQCBESA-N 2 1 345.491 1.594 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000998821241 706268049 /nfs/dbraw/zinc/26/80/49/706268049.db2.gz CEPSKUBNDBPDRU-WMZOPIPTSA-N 2 1 347.459 1.106 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000998821241 706268050 /nfs/dbraw/zinc/26/80/50/706268050.db2.gz CEPSKUBNDBPDRU-WMZOPIPTSA-N 2 1 347.459 1.106 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1C ZINC000998825864 706272701 /nfs/dbraw/zinc/27/27/01/706272701.db2.gz NHKBTWIKEQWQSI-RBUKOAKNSA-N 2 1 345.487 1.715 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1C ZINC000998825864 706272702 /nfs/dbraw/zinc/27/27/02/706272702.db2.gz NHKBTWIKEQWQSI-RBUKOAKNSA-N 2 1 345.487 1.715 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(CC)n2)C1 ZINC000998866577 706296429 /nfs/dbraw/zinc/29/64/29/706296429.db2.gz LUOXPNPJGPOGAU-DAWZGUTISA-N 2 1 347.507 1.856 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2CC(NCc3cnon3)C2)C1 ZINC000998902047 706338511 /nfs/dbraw/zinc/33/85/11/706338511.db2.gz RJMPKLPFNQZAKQ-HLIUYOAVSA-N 2 1 335.452 1.127 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2CC([NH2+]Cc3cnon3)C2)C1 ZINC000998902047 706338513 /nfs/dbraw/zinc/33/85/13/706338513.db2.gz RJMPKLPFNQZAKQ-HLIUYOAVSA-N 2 1 335.452 1.127 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2CC([NH2+]Cc3cnon3)C2)C1 ZINC000998902047 706338515 /nfs/dbraw/zinc/33/85/15/706338515.db2.gz RJMPKLPFNQZAKQ-HLIUYOAVSA-N 2 1 335.452 1.127 20 0 EDADMP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)C1CC([NH2+]Cc2ccccn2)C1 ZINC000998902830 706339811 /nfs/dbraw/zinc/33/98/11/706339811.db2.gz YUCMCRWHWRISCA-OFLPRAFFSA-N 2 1 339.443 1.935 20 0 EDADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC000999126648 706528714 /nfs/dbraw/zinc/52/87/14/706528714.db2.gz PLWVOOPSCHGMCA-UHFFFAOYSA-N 2 1 343.431 1.374 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC000999126090 706550238 /nfs/dbraw/zinc/55/02/38/706550238.db2.gz LEATYFKKELMWSS-GPANFISMSA-N 2 1 334.464 1.586 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC000999147004 706560722 /nfs/dbraw/zinc/56/07/22/706560722.db2.gz ZKKAKSITEQOZRX-FUHWJXTLSA-N 2 1 347.507 1.416 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)[nH]1 ZINC000999153898 706583744 /nfs/dbraw/zinc/58/37/44/706583744.db2.gz RZZHQAXQEFMDMG-HNNXBMFYSA-N 2 1 348.495 1.458 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999376160 706870581 /nfs/dbraw/zinc/87/05/81/706870581.db2.gz URCDWNQYWXCUDR-SJORKVTESA-N 2 1 346.475 1.768 20 0 EDADMP CCn1nnc(C)c1C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999365649 706879525 /nfs/dbraw/zinc/87/95/25/706879525.db2.gz QOLKXRRXVSCDQB-HNNXBMFYSA-N 2 1 348.495 1.171 20 0 EDADMP Cc1ccnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC000999406179 706915653 /nfs/dbraw/zinc/91/56/53/706915653.db2.gz MISRMKYPXONKDK-QQFBHYJXSA-N 2 1 331.464 1.348 20 0 EDADMP Cc1ccnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC000999406179 706915655 /nfs/dbraw/zinc/91/56/55/706915655.db2.gz MISRMKYPXONKDK-QQFBHYJXSA-N 2 1 331.464 1.348 20 0 EDADMP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)o1 ZINC000999406878 706916659 /nfs/dbraw/zinc/91/66/59/706916659.db2.gz BCTPDROPNFIPCJ-JEYLPNPQSA-N 2 1 348.491 1.966 20 0 EDADMP CCCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999511978 707010538 /nfs/dbraw/zinc/01/05/38/707010538.db2.gz NXBKOHUIVPFCAK-HZPDHXFCSA-N 2 1 348.495 1.253 20 0 EDADMP CCCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999511978 707010539 /nfs/dbraw/zinc/01/05/39/707010539.db2.gz NXBKOHUIVPFCAK-HZPDHXFCSA-N 2 1 348.495 1.253 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2coc(C3CC3)n2)C1)[NH+](C)C ZINC000999488479 707024563 /nfs/dbraw/zinc/02/45/63/707024563.db2.gz FNJMTXKYRTXPCU-GDBMZVCRSA-N 2 1 334.464 1.973 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]C[C@@H]2CCOC2)C1 ZINC000999490232 707026619 /nfs/dbraw/zinc/02/66/19/707026619.db2.gz IXBSBWMWNCBHEK-FHERZECASA-N 2 1 334.464 1.622 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3ncccn3)C2)CC1 ZINC000999627450 707151788 /nfs/dbraw/zinc/15/17/88/707151788.db2.gz BOCJMXXCYNDSHZ-UHFFFAOYSA-N 2 1 345.491 1.676 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC000999689895 707246210 /nfs/dbraw/zinc/24/62/10/707246210.db2.gz SNPBARBPTNMUDY-VQCLRJIVSA-N 2 1 336.505 1.872 20 0 EDADMP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CC[C@@H]2C1 ZINC000946739860 707325624 /nfs/dbraw/zinc/32/56/24/707325624.db2.gz GEGORZWCYJSJNH-IXDOHACOSA-N 2 1 330.476 1.944 20 0 EDADMP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CC[C@@H]2C1 ZINC000946739860 707325629 /nfs/dbraw/zinc/32/56/29/707325629.db2.gz GEGORZWCYJSJNH-IXDOHACOSA-N 2 1 330.476 1.944 20 0 EDADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000999794151 707365479 /nfs/dbraw/zinc/36/54/79/707365479.db2.gz SAXFMFDQMYNOAJ-SJORKVTESA-N 2 1 332.448 1.630 20 0 EDADMP COc1ccc(CN2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC001033199801 707454015 /nfs/dbraw/zinc/45/40/15/707454015.db2.gz YTDOPDFBGNATLI-DLBZAZTESA-N 2 1 346.475 1.607 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC000999834115 707466913 /nfs/dbraw/zinc/46/69/13/707466913.db2.gz RQHQEKGLKXBUIX-UHFFFAOYSA-N 2 1 349.479 1.542 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033320660 707501857 /nfs/dbraw/zinc/50/18/57/707501857.db2.gz VOJZEIILKXKOTQ-MRXNPFEDSA-N 2 1 337.508 1.963 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]Cc3cncc(C)c3)C2)C1 ZINC000999863624 707502771 /nfs/dbraw/zinc/50/27/71/707502771.db2.gz SXOPGWNCJVQIOK-ABHNRTSZSA-N 2 1 346.475 1.190 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]Cc3cncc(C)c3)C2)C1 ZINC000999863624 707502773 /nfs/dbraw/zinc/50/27/73/707502773.db2.gz SXOPGWNCJVQIOK-ABHNRTSZSA-N 2 1 346.475 1.190 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nncn3C)C2)C1 ZINC000999974925 707588541 /nfs/dbraw/zinc/58/85/41/707588541.db2.gz QBLMUKURJLPVFD-HOTGVXAUSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nncn3C)C2)C1 ZINC000999974925 707588543 /nfs/dbraw/zinc/58/85/43/707588543.db2.gz QBLMUKURJLPVFD-HOTGVXAUSA-N 2 1 348.495 1.018 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001000018243 707644164 /nfs/dbraw/zinc/64/41/64/707644164.db2.gz CEOYSWCISCNLHC-XIRDDKMYSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001000018241 707644461 /nfs/dbraw/zinc/64/44/61/707644461.db2.gz CEOYSWCISCNLHC-BHYGNILZSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033357888 707677071 /nfs/dbraw/zinc/67/70/71/707677071.db2.gz CUHKQMZWPNDYLI-QRTARXTBSA-N 2 1 334.464 1.746 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033357888 707677074 /nfs/dbraw/zinc/67/70/74/707677074.db2.gz CUHKQMZWPNDYLI-QRTARXTBSA-N 2 1 334.464 1.746 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033357888 707677079 /nfs/dbraw/zinc/67/70/79/707677079.db2.gz CUHKQMZWPNDYLI-QRTARXTBSA-N 2 1 334.464 1.746 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033357888 707677080 /nfs/dbraw/zinc/67/70/80/707677080.db2.gz CUHKQMZWPNDYLI-QRTARXTBSA-N 2 1 334.464 1.746 20 0 EDADMP O=C(C1CC[NH+](CC2CC2)CC1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032725354 707711695 /nfs/dbraw/zinc/71/16/95/707711695.db2.gz RFAVSCLXOGJXOP-NEWSRXKRSA-N 2 1 347.503 1.430 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033395847 707734039 /nfs/dbraw/zinc/73/40/39/707734039.db2.gz KRFCIRVYJQHAJJ-RTBURBONSA-N 2 1 345.487 1.595 20 0 EDADMP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001033396111 707734500 /nfs/dbraw/zinc/73/45/00/707734500.db2.gz LTJMDDXLWPTDDV-DOTOQJQBSA-N 2 1 345.491 1.721 20 0 EDADMP Cc1cnc([C@H](C)[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001033396111 707734504 /nfs/dbraw/zinc/73/45/04/707734504.db2.gz LTJMDDXLWPTDDV-DOTOQJQBSA-N 2 1 345.491 1.721 20 0 EDADMP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001032733714 707741285 /nfs/dbraw/zinc/74/12/85/707741285.db2.gz HVLNMEDFDQOXLC-IRXDYDNUSA-N 2 1 341.455 1.576 20 0 EDADMP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001032733714 707741290 /nfs/dbraw/zinc/74/12/90/707741290.db2.gz HVLNMEDFDQOXLC-IRXDYDNUSA-N 2 1 341.455 1.576 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001033389635 707760830 /nfs/dbraw/zinc/76/08/30/707760830.db2.gz DZAUGCLGUPAYBC-GOSISDBHSA-N 2 1 347.507 1.320 20 0 EDADMP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033390967 707766625 /nfs/dbraw/zinc/76/66/25/707766625.db2.gz NZWQLPKHEQKHSG-GDBMZVCRSA-N 2 1 331.464 1.412 20 0 EDADMP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033390967 707766627 /nfs/dbraw/zinc/76/66/27/707766627.db2.gz NZWQLPKHEQKHSG-GDBMZVCRSA-N 2 1 331.464 1.412 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(CO)cc3)C2)C1 ZINC001033419329 707778112 /nfs/dbraw/zinc/77/81/12/707778112.db2.gz IIDRBIBYFPYMHP-VQIMIIECSA-N 2 1 345.487 1.553 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)C1 ZINC001033419329 707778116 /nfs/dbraw/zinc/77/81/16/707778116.db2.gz IIDRBIBYFPYMHP-VQIMIIECSA-N 2 1 345.487 1.553 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(CO)cc3)C2)C1 ZINC001033419329 707778118 /nfs/dbraw/zinc/77/81/18/707778118.db2.gz IIDRBIBYFPYMHP-VQIMIIECSA-N 2 1 345.487 1.553 20 0 EDADMP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)nc(C)[nH+]1 ZINC001061652634 707796032 /nfs/dbraw/zinc/79/60/32/707796032.db2.gz LXCJLDGGQXBBFH-IRXDYDNUSA-N 2 1 345.491 1.909 20 0 EDADMP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nc(C)[nH+]1 ZINC001061652634 707796033 /nfs/dbraw/zinc/79/60/33/707796033.db2.gz LXCJLDGGQXBBFH-IRXDYDNUSA-N 2 1 345.491 1.909 20 0 EDADMP C[C@@H]([NH2+]Cc1ccon1)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004977811 707814571 /nfs/dbraw/zinc/81/45/71/707814571.db2.gz JZIHWRMPVYWLEL-GDBMZVCRSA-N 2 1 332.448 1.630 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001033423446 707839828 /nfs/dbraw/zinc/83/98/28/707839828.db2.gz NBLFQVYGSYDPBO-FUHWJXTLSA-N 2 1 347.507 1.463 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC001033423446 707839831 /nfs/dbraw/zinc/83/98/31/707839831.db2.gz NBLFQVYGSYDPBO-FUHWJXTLSA-N 2 1 347.507 1.463 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)cn1 ZINC001033423446 707839835 /nfs/dbraw/zinc/83/98/35/707839835.db2.gz NBLFQVYGSYDPBO-FUHWJXTLSA-N 2 1 347.507 1.463 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033227237 707842189 /nfs/dbraw/zinc/84/21/89/707842189.db2.gz BZLAQYZVAMHBKD-MRXNPFEDSA-N 2 1 331.464 1.044 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001033426749 707849097 /nfs/dbraw/zinc/84/90/97/707849097.db2.gz UMVUKDCXPZPDPK-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC001033426749 707849101 /nfs/dbraw/zinc/84/91/01/707849101.db2.gz UMVUKDCXPZPDPK-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC001033426749 707849104 /nfs/dbraw/zinc/84/91/04/707849104.db2.gz UMVUKDCXPZPDPK-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536031 707891625 /nfs/dbraw/zinc/89/16/25/707891625.db2.gz FGSNIQAIPIYONA-FGTMMUONSA-N 2 1 335.492 1.454 20 0 EDADMP CC(C)=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536031 707891627 /nfs/dbraw/zinc/89/16/27/707891627.db2.gz FGSNIQAIPIYONA-FGTMMUONSA-N 2 1 335.492 1.454 20 0 EDADMP CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536031 707891633 /nfs/dbraw/zinc/89/16/33/707891633.db2.gz FGSNIQAIPIYONA-FGTMMUONSA-N 2 1 335.492 1.454 20 0 EDADMP CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536031 707891635 /nfs/dbraw/zinc/89/16/35/707891635.db2.gz FGSNIQAIPIYONA-FGTMMUONSA-N 2 1 335.492 1.454 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(C)(C)C1 ZINC001032784820 707986950 /nfs/dbraw/zinc/98/69/50/707986950.db2.gz KYYCSQCYWGTVAU-NJAFHUGGSA-N 2 1 349.519 1.676 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(C)(C)C1 ZINC001032784820 707986951 /nfs/dbraw/zinc/98/69/51/707986951.db2.gz KYYCSQCYWGTVAU-NJAFHUGGSA-N 2 1 349.519 1.676 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCn1cccn1 ZINC001032803133 708090561 /nfs/dbraw/zinc/09/05/61/708090561.db2.gz YCGDWYXTHLIQBR-ULQDDVLXSA-N 2 1 331.464 1.043 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCn1cccn1 ZINC001032803133 708090562 /nfs/dbraw/zinc/09/05/62/708090562.db2.gz YCGDWYXTHLIQBR-ULQDDVLXSA-N 2 1 331.464 1.043 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1 ZINC001032803133 708090565 /nfs/dbraw/zinc/09/05/65/708090565.db2.gz YCGDWYXTHLIQBR-ULQDDVLXSA-N 2 1 331.464 1.043 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1 ZINC001032803133 708090567 /nfs/dbraw/zinc/09/05/67/708090567.db2.gz YCGDWYXTHLIQBR-ULQDDVLXSA-N 2 1 331.464 1.043 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCCOC1)C2 ZINC001040532716 708112248 /nfs/dbraw/zinc/11/22/48/708112248.db2.gz ZLNVHVIDEUBSQR-ICSRJNTNSA-N 2 1 349.519 1.823 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005179422 708121982 /nfs/dbraw/zinc/12/19/82/708121982.db2.gz OEXINNUCVBUZCT-INIZCTEOSA-N 2 1 348.495 1.123 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005179422 708121985 /nfs/dbraw/zinc/12/19/85/708121985.db2.gz OEXINNUCVBUZCT-INIZCTEOSA-N 2 1 348.495 1.123 20 0 EDADMP CN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033575348 708249659 /nfs/dbraw/zinc/24/96/59/708249659.db2.gz QVOKJKRTFHTQII-HKUYNNGSSA-N 2 1 349.519 1.678 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2CCN(Cc3ncccn3)CC2)CC[N@H+]1C ZINC001001761894 708285100 /nfs/dbraw/zinc/28/51/00/708285100.db2.gz QUVZJVSWIRYBOL-RDJZCZTQSA-N 2 1 345.491 1.535 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3ncccn3)CC2)CC[N@@H+]1C ZINC001001761894 708285104 /nfs/dbraw/zinc/28/51/04/708285104.db2.gz QUVZJVSWIRYBOL-RDJZCZTQSA-N 2 1 345.491 1.535 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3ncccn3)CC2)CC[N@H+]1C ZINC001001761894 708285107 /nfs/dbraw/zinc/28/51/07/708285107.db2.gz QUVZJVSWIRYBOL-RDJZCZTQSA-N 2 1 345.491 1.535 20 0 EDADMP Cc1cc(CN2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)nn1C ZINC001001835495 708339846 /nfs/dbraw/zinc/33/98/46/708339846.db2.gz WXPOJPVWCXCJEN-RDTXWAMCSA-N 2 1 347.507 1.254 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)nn1C ZINC001001835495 708339850 /nfs/dbraw/zinc/33/98/50/708339850.db2.gz WXPOJPVWCXCJEN-RDTXWAMCSA-N 2 1 347.507 1.254 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)nn1C ZINC001001835495 708339856 /nfs/dbraw/zinc/33/98/56/708339856.db2.gz WXPOJPVWCXCJEN-RDTXWAMCSA-N 2 1 347.507 1.254 20 0 EDADMP CN(C)c1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)ccn1 ZINC001033666091 708450288 /nfs/dbraw/zinc/45/02/88/708450288.db2.gz UOKKGMCDSBQYFN-SJORKVTESA-N 2 1 345.491 1.132 20 0 EDADMP CN(C)c1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)ccn1 ZINC001033666091 708450291 /nfs/dbraw/zinc/45/02/91/708450291.db2.gz UOKKGMCDSBQYFN-SJORKVTESA-N 2 1 345.491 1.132 20 0 EDADMP CN(C)c1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC001033666091 708450294 /nfs/dbraw/zinc/45/02/94/708450294.db2.gz UOKKGMCDSBQYFN-SJORKVTESA-N 2 1 345.491 1.132 20 0 EDADMP C[C@@H](c1ncccn1)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002128828 708645512 /nfs/dbraw/zinc/64/55/12/708645512.db2.gz ZSSGFHZQECYCAY-GOEBONIOSA-N 2 1 331.464 1.318 20 0 EDADMP C[C@@H](c1ncccn1)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002128828 708645515 /nfs/dbraw/zinc/64/55/15/708645515.db2.gz ZSSGFHZQECYCAY-GOEBONIOSA-N 2 1 331.464 1.318 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC001033773474 708672253 /nfs/dbraw/zinc/67/22/53/708672253.db2.gz GFQUSKIVMNLJSL-GDBMZVCRSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC001033773474 708672255 /nfs/dbraw/zinc/67/22/55/708672255.db2.gz GFQUSKIVMNLJSL-GDBMZVCRSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cnc(C)s2)C1 ZINC001033773474 708672257 /nfs/dbraw/zinc/67/22/57/708672257.db2.gz GFQUSKIVMNLJSL-GDBMZVCRSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cnc(C)s2)C1 ZINC001033773474 708672259 /nfs/dbraw/zinc/67/22/59/708672259.db2.gz GFQUSKIVMNLJSL-GDBMZVCRSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@@H]1CN(C)CCO1)[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033789381 708700147 /nfs/dbraw/zinc/70/01/47/708700147.db2.gz NVWGZKWDDKVTAZ-GJZGRUSLSA-N 2 1 345.434 1.285 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCN(Cc2cc(OC)no2)C1 ZINC001033777007 708704191 /nfs/dbraw/zinc/70/41/91/708704191.db2.gz SECRWPNZLNDOGL-DZGCQCFKSA-N 2 1 336.436 1.200 20 0 EDADMP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005383344 708817231 /nfs/dbraw/zinc/81/72/31/708817231.db2.gz FQJGYFAIEMFSPY-WBVHZDCISA-N 2 1 325.497 1.817 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3cncc(F)c3)CC2)CC[N@@H+]1C ZINC001005407772 708911599 /nfs/dbraw/zinc/91/15/99/708911599.db2.gz UJTJCJZDVQFZMB-RDTXWAMCSA-N 2 1 348.466 1.984 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3cncc(F)c3)CC2)CC[N@H+]1C ZINC001005407772 708911602 /nfs/dbraw/zinc/91/16/02/708911602.db2.gz UJTJCJZDVQFZMB-RDTXWAMCSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001033942260 709149172 /nfs/dbraw/zinc/14/91/72/709149172.db2.gz YNJMZZDPYVCEGC-GOSISDBHSA-N 2 1 345.491 1.550 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001033942260 709149174 /nfs/dbraw/zinc/14/91/74/709149174.db2.gz YNJMZZDPYVCEGC-GOSISDBHSA-N 2 1 345.491 1.550 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005493484 709215708 /nfs/dbraw/zinc/21/57/08/709215708.db2.gz RZPOZQOMWUOQRR-SJORKVTESA-N 2 1 339.524 1.922 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001034015482 709232375 /nfs/dbraw/zinc/23/23/75/709232375.db2.gz HLNWEQRKRPCYKW-SJORKVTESA-N 2 1 335.492 1.432 20 0 EDADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001005498229 709255836 /nfs/dbraw/zinc/25/58/36/709255836.db2.gz PSSWVPIDGZQXEL-GOSISDBHSA-N 2 1 337.508 1.961 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001034037667 709269310 /nfs/dbraw/zinc/26/93/10/709269310.db2.gz DHIBVVWMKGHBMB-CABCVRRESA-N 2 1 336.505 1.560 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCc2ccns2)C1 ZINC001034037667 709269312 /nfs/dbraw/zinc/26/93/12/709269312.db2.gz DHIBVVWMKGHBMB-CABCVRRESA-N 2 1 336.505 1.560 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCc2ccns2)C1 ZINC001034037667 709269317 /nfs/dbraw/zinc/26/93/17/709269317.db2.gz DHIBVVWMKGHBMB-CABCVRRESA-N 2 1 336.505 1.560 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001034043882 709295297 /nfs/dbraw/zinc/29/52/97/709295297.db2.gz XUVDTXFRNQTWPT-DOTOQJQBSA-N 2 1 333.480 1.103 20 0 EDADMP C[N@@H+](C[C@H](O)CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1)C1CC1 ZINC000702123276 709336321 /nfs/dbraw/zinc/33/63/21/709336321.db2.gz PIZQQNHIRQFPLA-SESVDKBCSA-N 2 1 343.515 1.895 20 0 EDADMP C[NH+](C[C@H](O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1)C1CC1 ZINC000702123276 709336323 /nfs/dbraw/zinc/33/63/23/709336323.db2.gz PIZQQNHIRQFPLA-SESVDKBCSA-N 2 1 343.515 1.895 20 0 EDADMP C[NH+](C[C@H](O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)C1CC1 ZINC000702123276 709336325 /nfs/dbraw/zinc/33/63/25/709336325.db2.gz PIZQQNHIRQFPLA-SESVDKBCSA-N 2 1 343.515 1.895 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001002790945 709398500 /nfs/dbraw/zinc/39/85/00/709398500.db2.gz CSWVKEANZLDPML-AEFFLSMTSA-N 2 1 337.508 1.866 20 0 EDADMP Cn1cc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)cn1 ZINC001002801546 709415698 /nfs/dbraw/zinc/41/56/98/709415698.db2.gz JIWNGYQTISPDJG-FUHWJXTLSA-N 2 1 345.491 1.375 20 0 EDADMP Cc1csc(C[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC001002832112 709443133 /nfs/dbraw/zinc/44/31/33/709443133.db2.gz JIUTYABHZOWADG-MRXNPFEDSA-N 2 1 348.516 1.874 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cncn2)C1 ZINC001034202723 709524436 /nfs/dbraw/zinc/52/44/36/709524436.db2.gz ANHMJXJAKQLUIR-DLBZAZTESA-N 2 1 348.495 1.122 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCn2cncn2)C1 ZINC001034202723 709524439 /nfs/dbraw/zinc/52/44/39/709524439.db2.gz ANHMJXJAKQLUIR-DLBZAZTESA-N 2 1 348.495 1.122 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCn2cncn2)C1 ZINC001034202723 709524441 /nfs/dbraw/zinc/52/44/41/709524441.db2.gz ANHMJXJAKQLUIR-DLBZAZTESA-N 2 1 348.495 1.122 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCCC[N@@H+](CC3CC3)C2)n1 ZINC001034210514 709560640 /nfs/dbraw/zinc/56/06/40/709560640.db2.gz PLLPVULMCDVURT-MRXNPFEDSA-N 2 1 333.480 1.439 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CCn3cccn3)C2)CC[N@H+]1C ZINC001034217813 709573940 /nfs/dbraw/zinc/57/39/40/709573940.db2.gz VJKVECOGBYYGQB-OKZBNKHCSA-N 2 1 347.507 1.584 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCn3cccn3)C2)CC[NH+]1C ZINC001034217813 709573942 /nfs/dbraw/zinc/57/39/42/709573942.db2.gz VJKVECOGBYYGQB-OKZBNKHCSA-N 2 1 347.507 1.584 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCn3cccn3)C2)CC[NH+]1C ZINC001034217813 709573944 /nfs/dbraw/zinc/57/39/44/709573944.db2.gz VJKVECOGBYYGQB-OKZBNKHCSA-N 2 1 347.507 1.584 20 0 EDADMP COCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034239063 709620459 /nfs/dbraw/zinc/62/04/59/709620459.db2.gz QYOYTNBVJPYTMP-IAGOWNOFSA-N 2 1 325.497 1.581 20 0 EDADMP COCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034239063 709620461 /nfs/dbraw/zinc/62/04/61/709620461.db2.gz QYOYTNBVJPYTMP-IAGOWNOFSA-N 2 1 325.497 1.581 20 0 EDADMP COCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034239063 709620464 /nfs/dbraw/zinc/62/04/64/709620464.db2.gz QYOYTNBVJPYTMP-IAGOWNOFSA-N 2 1 325.497 1.581 20 0 EDADMP COC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001002994406 709742369 /nfs/dbraw/zinc/74/23/69/709742369.db2.gz HGTQZOSGJQMCKJ-JKSUJKDBSA-N 2 1 325.497 1.580 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](CC2CC2)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321058 709771012 /nfs/dbraw/zinc/77/10/12/709771012.db2.gz PZMXCAJJOGXCAW-VIHIWDAPSA-N 2 1 333.476 1.230 20 0 EDADMP O=C(N[C@H]1CCCC[NH+](CC2CC2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001034321058 709771014 /nfs/dbraw/zinc/77/10/14/709771014.db2.gz PZMXCAJJOGXCAW-VIHIWDAPSA-N 2 1 333.476 1.230 20 0 EDADMP O=C(N[C@H]1CCCC[NH+](CC2CC2)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001034321058 709771015 /nfs/dbraw/zinc/77/10/15/709771015.db2.gz PZMXCAJJOGXCAW-VIHIWDAPSA-N 2 1 333.476 1.230 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003011143 709783154 /nfs/dbraw/zinc/78/31/54/709783154.db2.gz MNENZOYSAPZGQI-WBVHZDCISA-N 2 1 325.497 1.865 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001003009803 709797290 /nfs/dbraw/zinc/79/72/90/709797290.db2.gz BQBSLLUBFKCJEF-GOSISDBHSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)ncn1 ZINC001034386902 709915639 /nfs/dbraw/zinc/91/56/39/709915639.db2.gz VDNYQEXZHZNBNP-QGZVFWFLSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)ncn1 ZINC001034386902 709915642 /nfs/dbraw/zinc/91/56/42/709915642.db2.gz VDNYQEXZHZNBNP-QGZVFWFLSA-N 2 1 345.491 1.598 20 0 EDADMP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001003147616 710046199 /nfs/dbraw/zinc/04/61/99/710046199.db2.gz WWATZSPNCBHJLG-QZTJIDSGSA-N 2 1 345.491 1.481 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003157519 710060036 /nfs/dbraw/zinc/06/00/36/710060036.db2.gz ALQOTPHAZXEJIP-WMLDXEAASA-N 2 1 331.464 1.603 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003157519 710060042 /nfs/dbraw/zinc/06/00/42/710060042.db2.gz ALQOTPHAZXEJIP-WMLDXEAASA-N 2 1 331.464 1.603 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001003158912 710067151 /nfs/dbraw/zinc/06/71/51/710067151.db2.gz JTFMJAMMUINVID-CRAIPNDOSA-N 2 1 345.491 1.911 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001003158912 710067153 /nfs/dbraw/zinc/06/71/53/710067153.db2.gz JTFMJAMMUINVID-CRAIPNDOSA-N 2 1 345.491 1.911 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001003167723 710079078 /nfs/dbraw/zinc/07/90/78/710079078.db2.gz PEXDGXXYLKZUDS-KRWDZBQOSA-N 2 1 346.475 1.655 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001003167723 710079083 /nfs/dbraw/zinc/07/90/83/710079083.db2.gz PEXDGXXYLKZUDS-KRWDZBQOSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001034529757 710185661 /nfs/dbraw/zinc/18/56/61/710185661.db2.gz MSKYPYMZYLCLNF-IAGOWNOFSA-N 2 1 334.464 1.589 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001034529757 710185664 /nfs/dbraw/zinc/18/56/64/710185664.db2.gz MSKYPYMZYLCLNF-IAGOWNOFSA-N 2 1 334.464 1.589 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001003309964 710239022 /nfs/dbraw/zinc/23/90/22/710239022.db2.gz KGPXKZXIPCJFKS-UHFFFAOYSA-N 2 1 338.415 1.462 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC001003319920 710248342 /nfs/dbraw/zinc/24/83/42/710248342.db2.gz YXCLOFKAIUITAM-CRAIPNDOSA-N 2 1 332.448 1.199 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001034606778 710269897 /nfs/dbraw/zinc/26/98/97/710269897.db2.gz CYGOIBIAFYZSTP-BZUAXINKSA-N 2 1 334.464 1.903 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001003375706 710294009 /nfs/dbraw/zinc/29/40/09/710294009.db2.gz VFJPNLVVVATUHE-GOSISDBHSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001034648752 710325263 /nfs/dbraw/zinc/32/52/63/710325263.db2.gz NPNPZPGMHIPFJV-JYJNAYRXSA-N 2 1 347.463 1.237 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003543850 710412149 /nfs/dbraw/zinc/41/21/49/710412149.db2.gz GPSRNSZAIRFFJT-UHFFFAOYSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC001003548413 710414281 /nfs/dbraw/zinc/41/42/81/710414281.db2.gz QUUUUDADQVBDNP-HNNXBMFYSA-N 2 1 345.491 1.768 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c(C)o1 ZINC001003635312 710462533 /nfs/dbraw/zinc/46/25/33/710462533.db2.gz OJLBFGOBMNRSSE-BLLLJJGKSA-N 2 1 334.464 1.570 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c(C)o1 ZINC001003635312 710462535 /nfs/dbraw/zinc/46/25/35/710462535.db2.gz OJLBFGOBMNRSSE-BLLLJJGKSA-N 2 1 334.464 1.570 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC001003634768 710462545 /nfs/dbraw/zinc/46/25/45/710462545.db2.gz LYFWIKLLUFAONO-BBRMVZONSA-N 2 1 348.491 1.824 20 0 EDADMP Cc1nc(C)c(C)c(N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001061327279 710576311 /nfs/dbraw/zinc/57/63/11/710576311.db2.gz GMGWVYRCLRMKSC-HZPDHXFCSA-N 2 1 331.464 1.581 20 0 EDADMP Cc1nc(C)c(C)c(N2CCC[C@@H]2CNC(=O)[C@H]2CCCN2C)n1 ZINC001061327279 710576313 /nfs/dbraw/zinc/57/63/13/710576313.db2.gz GMGWVYRCLRMKSC-HZPDHXFCSA-N 2 1 331.464 1.581 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001034671970 710615393 /nfs/dbraw/zinc/61/53/93/710615393.db2.gz FVOZWRGZUDBCBJ-BRWVUGGUSA-N 2 1 334.464 1.984 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001034675604 710631545 /nfs/dbraw/zinc/63/15/45/710631545.db2.gz QSDGTXODJADQQZ-NXNVCVFFSA-N 2 1 347.463 1.604 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001005592449 710639409 /nfs/dbraw/zinc/63/94/09/710639409.db2.gz MNFQXXXZJAAWCQ-WMZOPIPTSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034737233 710949176 /nfs/dbraw/zinc/94/91/76/710949176.db2.gz HRIBHXCJRXOUBG-DDBAPUKQSA-N 2 1 337.508 1.628 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034738279 710953368 /nfs/dbraw/zinc/95/33/68/710953368.db2.gz SKWVGJACNLQGAW-RGCMKSIDSA-N 2 1 337.493 1.253 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC001032958846 710980765 /nfs/dbraw/zinc/98/07/65/710980765.db2.gz BQIFOIOZSBUCDQ-SJLPKXTDSA-N 2 1 333.451 1.995 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCc2ccccc2F)C1 ZINC001032958846 710980767 /nfs/dbraw/zinc/98/07/67/710980767.db2.gz BQIFOIOZSBUCDQ-SJLPKXTDSA-N 2 1 333.451 1.995 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCc2ccccc2F)C1 ZINC001032958846 710980768 /nfs/dbraw/zinc/98/07/68/710980768.db2.gz BQIFOIOZSBUCDQ-SJLPKXTDSA-N 2 1 333.451 1.995 20 0 EDADMP CN(C)c1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC001032969031 711045605 /nfs/dbraw/zinc/04/56/05/711045605.db2.gz URWZOVBARFYYCC-IRXDYDNUSA-N 2 1 345.491 1.275 20 0 EDADMP CN(C)c1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC001032969031 711045610 /nfs/dbraw/zinc/04/56/10/711045610.db2.gz URWZOVBARFYYCC-IRXDYDNUSA-N 2 1 345.491 1.275 20 0 EDADMP CN(C)c1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)ccn1 ZINC001032969031 711045615 /nfs/dbraw/zinc/04/56/15/711045615.db2.gz URWZOVBARFYYCC-IRXDYDNUSA-N 2 1 345.491 1.275 20 0 EDADMP CN(C)c1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)ccn1 ZINC001032969031 711045621 /nfs/dbraw/zinc/04/56/21/711045621.db2.gz URWZOVBARFYYCC-IRXDYDNUSA-N 2 1 345.491 1.275 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](NCc3cnsn3)CC2)C1 ZINC001034775475 711048705 /nfs/dbraw/zinc/04/87/05/711048705.db2.gz ANDNULNUYYEVEN-IHRRRGAJSA-N 2 1 337.493 1.397 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnsn3)CC2)C1 ZINC001034775475 711048711 /nfs/dbraw/zinc/04/87/11/711048711.db2.gz ANDNULNUYYEVEN-IHRRRGAJSA-N 2 1 337.493 1.397 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnsn3)CC2)C1 ZINC001034775475 711048716 /nfs/dbraw/zinc/04/87/16/711048716.db2.gz ANDNULNUYYEVEN-IHRRRGAJSA-N 2 1 337.493 1.397 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@@H]3CCOC3)CC2)C1 ZINC001034775836 711050167 /nfs/dbraw/zinc/05/01/67/711050167.db2.gz KEAURGCMPQZBGY-BRSBDYLESA-N 2 1 337.508 1.772 20 0 EDADMP CCc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034792888 711120859 /nfs/dbraw/zinc/12/08/59/711120859.db2.gz NXLGXQCWZFWWGM-LXTVHRRPSA-N 2 1 349.479 1.662 20 0 EDADMP CCc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034792888 711120862 /nfs/dbraw/zinc/12/08/62/711120862.db2.gz NXLGXQCWZFWWGM-LXTVHRRPSA-N 2 1 349.479 1.662 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034792890 711120929 /nfs/dbraw/zinc/12/09/29/711120929.db2.gz NYENJFDUZQVGFD-IHRRRGAJSA-N 2 1 335.452 1.101 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001034792890 711120933 /nfs/dbraw/zinc/12/09/33/711120933.db2.gz NYENJFDUZQVGFD-IHRRRGAJSA-N 2 1 335.452 1.101 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003974783 711134811 /nfs/dbraw/zinc/13/48/11/711134811.db2.gz KDBOZUOKDJMFAE-HNNXBMFYSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003974783 711134814 /nfs/dbraw/zinc/13/48/14/711134814.db2.gz KDBOZUOKDJMFAE-HNNXBMFYSA-N 2 1 331.464 1.207 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003967199 711137488 /nfs/dbraw/zinc/13/74/88/711137488.db2.gz JEPYHOYYDMFSTB-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003967199 711137493 /nfs/dbraw/zinc/13/74/93/711137493.db2.gz JEPYHOYYDMFSTB-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003968642 711140499 /nfs/dbraw/zinc/14/04/99/711140499.db2.gz SIXHGKSAXXFQSP-NVXWUHKLSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001003977087 711147949 /nfs/dbraw/zinc/14/79/49/711147949.db2.gz VHFFCCZJYYVACG-CABCVRRESA-N 2 1 334.464 1.966 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001003977087 711147953 /nfs/dbraw/zinc/14/79/53/711147953.db2.gz VHFFCCZJYYVACG-CABCVRRESA-N 2 1 334.464 1.966 20 0 EDADMP Cn1ccc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2)n1 ZINC001034810720 711171477 /nfs/dbraw/zinc/17/14/77/711171477.db2.gz JAUXQBIFEJHXHJ-GOSISDBHSA-N 2 1 341.459 1.420 20 0 EDADMP Cn1ccc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2)n1 ZINC001034810720 711171479 /nfs/dbraw/zinc/17/14/79/711171479.db2.gz JAUXQBIFEJHXHJ-GOSISDBHSA-N 2 1 341.459 1.420 20 0 EDADMP CCn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001034936042 711364572 /nfs/dbraw/zinc/36/45/72/711364572.db2.gz IAQWZAADZBUSBA-IAGOWNOFSA-N 2 1 348.495 1.251 20 0 EDADMP CCn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)n1 ZINC001034936042 711364576 /nfs/dbraw/zinc/36/45/76/711364576.db2.gz IAQWZAADZBUSBA-IAGOWNOFSA-N 2 1 348.495 1.251 20 0 EDADMP Cn1cncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001034958480 711431623 /nfs/dbraw/zinc/43/16/23/711431623.db2.gz JDPCRQHAPOANOX-GDBMZVCRSA-N 2 1 342.447 1.275 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)nc1 ZINC001034936629 711436518 /nfs/dbraw/zinc/43/65/18/711436518.db2.gz TUXNDMOHIWVKOG-SJORKVTESA-N 2 1 345.491 1.738 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)nc1 ZINC001034936629 711436521 /nfs/dbraw/zinc/43/65/21/711436521.db2.gz TUXNDMOHIWVKOG-SJORKVTESA-N 2 1 345.491 1.738 20 0 EDADMP CCc1noc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034940065 711443351 /nfs/dbraw/zinc/44/33/51/711443351.db2.gz VPOCHGLXDLHDIF-FVQBIDKESA-N 2 1 348.491 1.966 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)[C@H]1C(C)C ZINC000922391991 711457037 /nfs/dbraw/zinc/45/70/37/711457037.db2.gz IXWKPMBGFNZDKC-MLYOOKFZSA-N 2 1 345.487 1.745 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922516636 711635860 /nfs/dbraw/zinc/63/58/60/711635860.db2.gz SQRWWJYSFUMIJN-BZUAXINKSA-N 2 1 342.553 1.986 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033127302 711877576 /nfs/dbraw/zinc/87/75/76/711877576.db2.gz UOEQEAWGHQOGJM-ZWKOTPCHSA-N 2 1 347.507 1.370 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001033127302 711877579 /nfs/dbraw/zinc/87/75/79/711877579.db2.gz UOEQEAWGHQOGJM-ZWKOTPCHSA-N 2 1 347.507 1.370 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001033127302 711877582 /nfs/dbraw/zinc/87/75/82/711877582.db2.gz UOEQEAWGHQOGJM-ZWKOTPCHSA-N 2 1 347.507 1.370 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2cccnc2)C1 ZINC001033126422 711889653 /nfs/dbraw/zinc/88/96/53/711889653.db2.gz MWPVHSPHPKKCMF-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033126422 711889654 /nfs/dbraw/zinc/88/96/54/711889654.db2.gz MWPVHSPHPKKCMF-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033126422 711889656 /nfs/dbraw/zinc/88/96/56/711889656.db2.gz MWPVHSPHPKKCMF-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033126422 711889657 /nfs/dbraw/zinc/88/96/57/711889657.db2.gz MWPVHSPHPKKCMF-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033126422 711889658 /nfs/dbraw/zinc/88/96/58/711889658.db2.gz MWPVHSPHPKKCMF-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033141363 711944078 /nfs/dbraw/zinc/94/40/78/711944078.db2.gz DZCBSXBOOUBEDD-SJLPKXTDSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033141363 711944080 /nfs/dbraw/zinc/94/40/80/711944080.db2.gz DZCBSXBOOUBEDD-SJLPKXTDSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033141363 711944082 /nfs/dbraw/zinc/94/40/82/711944082.db2.gz DZCBSXBOOUBEDD-SJLPKXTDSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033141363 711944084 /nfs/dbraw/zinc/94/40/84/711944084.db2.gz DZCBSXBOOUBEDD-SJLPKXTDSA-N 2 1 348.491 1.994 20 0 EDADMP O=C(N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1)C12CCC[NH+](CCC1)C2 ZINC000946638552 712107022 /nfs/dbraw/zinc/10/70/22/712107022.db2.gz QFQNKFLSSGKGDO-HDICACEKSA-N 2 1 349.519 1.415 20 0 EDADMP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946662974 712291788 /nfs/dbraw/zinc/29/17/88/712291788.db2.gz TZZBPRGRPQFQML-YESZJQIVSA-N 2 1 335.492 1.166 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000362274622 282248308 /nfs/dbraw/zinc/24/83/08/282248308.db2.gz FKKZPMWGUXZVSZ-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440990672 539332265 /nfs/dbraw/zinc/33/22/65/539332265.db2.gz WRCCVDZJEOHFSH-OAHLLOKOSA-N 2 1 327.517 1.042 20 0 EDADMP C[N@@H+](CCNC(=O)NCC[NH+]1CCCOCC1)Cc1ccccc1 ZINC000187027263 529914282 /nfs/dbraw/zinc/91/42/82/529914282.db2.gz PDVSFXCXQACWAC-UHFFFAOYSA-N 2 1 334.464 1.140 20 0 EDADMP C[NH+](CCNC(=O)NCC[N@@H+]1CCCOCC1)Cc1ccccc1 ZINC000187027263 529914284 /nfs/dbraw/zinc/91/42/84/529914284.db2.gz PDVSFXCXQACWAC-UHFFFAOYSA-N 2 1 334.464 1.140 20 0 EDADMP C[NH+](CCNC(=O)NCC[N@H+]1CCCOCC1)Cc1ccccc1 ZINC000187027263 529914285 /nfs/dbraw/zinc/91/42/85/529914285.db2.gz PDVSFXCXQACWAC-UHFFFAOYSA-N 2 1 334.464 1.140 20 0 EDADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154256631 539573111 /nfs/dbraw/zinc/57/31/11/539573111.db2.gz NHIAVOLPZPXXCS-RISCZKNCSA-N 2 1 347.381 1.935 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000561176986 306283858 /nfs/dbraw/zinc/28/38/58/306283858.db2.gz HHSCVKBFSQHNFO-BHYGNILZSA-N 2 1 334.464 1.312 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000561176986 306283859 /nfs/dbraw/zinc/28/38/59/306283859.db2.gz HHSCVKBFSQHNFO-BHYGNILZSA-N 2 1 334.464 1.312 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000103500560 219308108 /nfs/dbraw/zinc/30/81/08/219308108.db2.gz XKVKZLZRKOVMMC-INIZCTEOSA-N 2 1 333.407 1.731 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000342972923 539768441 /nfs/dbraw/zinc/76/84/41/539768441.db2.gz ADAKSSNILLLRIA-GJZGRUSLSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000563145520 306320206 /nfs/dbraw/zinc/32/02/06/306320206.db2.gz XUNYIQOQBRZYMG-OFQRWUPVSA-N 2 1 338.496 1.142 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000563272149 306325780 /nfs/dbraw/zinc/32/57/80/306325780.db2.gz LAIVFHXKQRSYRW-QGZVFWFLSA-N 2 1 338.496 1.413 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000353744288 283120325 /nfs/dbraw/zinc/12/03/25/283120325.db2.gz INTZFYPTNISLJS-GJZGRUSLSA-N 2 1 337.851 1.709 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000353744288 283120326 /nfs/dbraw/zinc/12/03/26/283120326.db2.gz INTZFYPTNISLJS-GJZGRUSLSA-N 2 1 337.851 1.709 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072860921 138211143 /nfs/dbraw/zinc/21/11/43/138211143.db2.gz TWGVINAXQHVDGR-AWEZNQCLSA-N 2 1 332.448 1.388 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072860921 138211144 /nfs/dbraw/zinc/21/11/44/138211144.db2.gz TWGVINAXQHVDGR-AWEZNQCLSA-N 2 1 332.448 1.388 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072860921 138211145 /nfs/dbraw/zinc/21/11/45/138211145.db2.gz TWGVINAXQHVDGR-AWEZNQCLSA-N 2 1 332.448 1.388 20 0 EDADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000077803719 138255154 /nfs/dbraw/zinc/25/51/54/138255154.db2.gz DBNAZVUVUYDTKR-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000079954228 138263068 /nfs/dbraw/zinc/26/30/68/138263068.db2.gz ASMOKHWNAFFAFL-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000098034140 138297253 /nfs/dbraw/zinc/29/72/53/138297253.db2.gz XGPKXCAVWBSQHF-IXDOHACOSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000098034140 138297254 /nfs/dbraw/zinc/29/72/54/138297254.db2.gz XGPKXCAVWBSQHF-IXDOHACOSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000126159559 138337431 /nfs/dbraw/zinc/33/74/31/138337431.db2.gz DZNIXURGDQDAAC-BEFAXECRSA-N 2 1 345.487 1.816 20 0 EDADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000564648405 306361941 /nfs/dbraw/zinc/36/19/41/306361941.db2.gz UOMCLKDBTRUKAU-WMLDXEAASA-N 2 1 332.448 1.969 20 0 EDADMP Cc1ncc2n1C[C@@H](C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000565074247 306374864 /nfs/dbraw/zinc/37/48/64/306374864.db2.gz QQPUXHBKXTYCKG-UXLLHSPISA-N 2 1 348.491 1.760 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000565074247 306374866 /nfs/dbraw/zinc/37/48/66/306374866.db2.gz QQPUXHBKXTYCKG-UXLLHSPISA-N 2 1 348.491 1.760 20 0 EDADMP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000358861903 296032992 /nfs/dbraw/zinc/03/29/92/296032992.db2.gz ZBCGEHUEUVOBCZ-RBSFLKMASA-N 2 1 340.512 1.020 20 0 EDADMP CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414703711 304130316 /nfs/dbraw/zinc/13/03/16/304130316.db2.gz MROMHLKLKKUAGS-MOPGFXCFSA-N 2 1 347.503 1.703 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H](c2ccc(F)cc2)O1 ZINC000414710003 304131279 /nfs/dbraw/zinc/13/12/79/304131279.db2.gz RHCLGGMKRJNPAK-RVKKMQEKSA-N 2 1 349.450 1.785 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000414715774 304131944 /nfs/dbraw/zinc/13/19/44/304131944.db2.gz XOYRDNVBJOJBBY-HUUCEWRRSA-N 2 1 346.475 1.724 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000566411456 306411942 /nfs/dbraw/zinc/41/19/42/306411942.db2.gz FMIYFECGGBHHDI-BFYDXBDKSA-N 2 1 348.466 1.674 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000414716642 304132157 /nfs/dbraw/zinc/13/21/57/304132157.db2.gz XKMAVMVEWOXZDR-CVEARBPZSA-N 2 1 330.432 1.088 20 0 EDADMP COCC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CCCSC1 ZINC000414761602 304138235 /nfs/dbraw/zinc/13/82/35/304138235.db2.gz JOXPLMPLVNMSOH-HUUCEWRRSA-N 2 1 329.510 1.028 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000415029521 304152646 /nfs/dbraw/zinc/15/26/46/304152646.db2.gz DROQYXNEQRVJCD-NVXWUHKLSA-N 2 1 344.459 1.287 20 0 EDADMP COc1cccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1OC ZINC000415123769 304162115 /nfs/dbraw/zinc/16/21/15/304162115.db2.gz JQTOWUKNMPDKJC-HNNXBMFYSA-N 2 1 331.420 1.591 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1F ZINC000415133018 304162503 /nfs/dbraw/zinc/16/25/03/304162503.db2.gz BPTSRNPXFKWYAW-ZWKOTPCHSA-N 2 1 346.450 1.854 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1F ZINC000415133018 304162505 /nfs/dbraw/zinc/16/25/05/304162505.db2.gz BPTSRNPXFKWYAW-ZWKOTPCHSA-N 2 1 346.450 1.854 20 0 EDADMP COCCOc1cccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415131956 304162736 /nfs/dbraw/zinc/16/27/36/304162736.db2.gz KJBJXYQUOBESCY-MOPGFXCFSA-N 2 1 346.471 1.912 20 0 EDADMP CCn1cc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000415135806 304163188 /nfs/dbraw/zinc/16/31/88/304163188.db2.gz QSHOZMFJDXXOTF-UHFFFAOYSA-N 2 1 327.476 1.986 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000195157164 139008217 /nfs/dbraw/zinc/00/82/17/139008217.db2.gz LWAAATWHUAIOCF-KRWDZBQOSA-N 2 1 329.444 1.360 20 0 EDADMP Cc1c(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000236607791 139026905 /nfs/dbraw/zinc/02/69/05/139026905.db2.gz BZFRRBFOUOWKGB-HNNXBMFYSA-N 2 1 348.495 1.361 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000362564588 296185748 /nfs/dbraw/zinc/18/57/48/296185748.db2.gz MFQVMUNDXUKVBE-HUUCEWRRSA-N 2 1 331.464 1.577 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000237336996 139048431 /nfs/dbraw/zinc/04/84/31/139048431.db2.gz AKHRBZOKPZKXES-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000237336996 139048432 /nfs/dbraw/zinc/04/84/32/139048432.db2.gz AKHRBZOKPZKXES-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1 ZINC000415193705 304173769 /nfs/dbraw/zinc/17/37/69/304173769.db2.gz MNVALTOOVOGDEM-CQSZACIVSA-N 2 1 346.475 1.883 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000237631793 139056396 /nfs/dbraw/zinc/05/63/96/139056396.db2.gz LQONJGDWLVVXDS-DAYGRLMNSA-N 2 1 331.460 1.522 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000237671269 139057617 /nfs/dbraw/zinc/05/76/17/139057617.db2.gz UOCDHXGQLDHLJG-SJLPKXTDSA-N 2 1 330.476 1.455 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000111794368 220191353 /nfs/dbraw/zinc/19/13/53/220191353.db2.gz BBKJBZNBVJZMOE-MSOLQXFVSA-N 2 1 348.491 1.699 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000111796250 220191651 /nfs/dbraw/zinc/19/16/51/220191651.db2.gz WKONMJMLSDZMTE-HUUCEWRRSA-N 2 1 338.452 1.292 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000111796250 220191654 /nfs/dbraw/zinc/19/16/54/220191654.db2.gz WKONMJMLSDZMTE-HUUCEWRRSA-N 2 1 338.452 1.292 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000111794371 220192024 /nfs/dbraw/zinc/19/20/24/220192024.db2.gz BBKJBZNBVJZMOE-QZTJIDSGSA-N 2 1 348.491 1.699 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@@H]1CCC[NH2+]C1 ZINC000238073354 139068176 /nfs/dbraw/zinc/06/81/76/139068176.db2.gz ZXSIVGBGTHABKO-QZTJIDSGSA-N 2 1 331.460 1.393 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@@H]1CCC[NH2+]C1 ZINC000238073354 139068177 /nfs/dbraw/zinc/06/81/77/139068177.db2.gz ZXSIVGBGTHABKO-QZTJIDSGSA-N 2 1 331.460 1.393 20 0 EDADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245826437 139087110 /nfs/dbraw/zinc/08/71/10/139087110.db2.gz FSPXDXYWTIQNGH-CVEARBPZSA-N 2 1 336.480 1.606 20 0 EDADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245826437 139087111 /nfs/dbraw/zinc/08/71/11/139087111.db2.gz FSPXDXYWTIQNGH-CVEARBPZSA-N 2 1 336.480 1.606 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246366179 139105743 /nfs/dbraw/zinc/10/57/43/139105743.db2.gz AFYJISOSQVRMGW-KGLIPLIRSA-N 2 1 335.452 1.297 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246366179 139105744 /nfs/dbraw/zinc/10/57/44/139105744.db2.gz AFYJISOSQVRMGW-KGLIPLIRSA-N 2 1 335.452 1.297 20 0 EDADMP C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C[C@H]1n1ccnc1 ZINC000247002283 139130608 /nfs/dbraw/zinc/13/06/08/139130608.db2.gz DAYMPGPNSSDYEE-DOTOQJQBSA-N 2 1 348.472 1.745 20 0 EDADMP C[C@H]1CCN(CCNS(=O)(=O)c2ccccc2)C[C@H]1n1ccnc1 ZINC000247002283 139130609 /nfs/dbraw/zinc/13/06/09/139130609.db2.gz DAYMPGPNSSDYEE-DOTOQJQBSA-N 2 1 348.472 1.745 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266006439 248021584 /nfs/dbraw/zinc/02/15/84/248021584.db2.gz RDRNTCQTSBLWHS-BHIYHBOVSA-N 2 1 345.487 1.686 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266006439 248021587 /nfs/dbraw/zinc/02/15/87/248021587.db2.gz RDRNTCQTSBLWHS-BHIYHBOVSA-N 2 1 345.487 1.686 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266006439 248021590 /nfs/dbraw/zinc/02/15/90/248021590.db2.gz RDRNTCQTSBLWHS-BHIYHBOVSA-N 2 1 345.487 1.686 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266006439 248021592 /nfs/dbraw/zinc/02/15/92/248021592.db2.gz RDRNTCQTSBLWHS-BHIYHBOVSA-N 2 1 345.487 1.686 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000568275551 306477800 /nfs/dbraw/zinc/47/78/00/306477800.db2.gz YTHFPLWCZVWMDN-MQVJKMGUSA-N 3 1 343.475 1.693 20 0 EDADMP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000247283755 139143493 /nfs/dbraw/zinc/14/34/93/139143493.db2.gz SZQHCZLWHZMLMR-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000247283755 139143494 /nfs/dbraw/zinc/14/34/94/139143494.db2.gz SZQHCZLWHZMLMR-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000247283755 139143495 /nfs/dbraw/zinc/14/34/95/139143495.db2.gz SZQHCZLWHZMLMR-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000247283755 139143496 /nfs/dbraw/zinc/14/34/96/139143496.db2.gz SZQHCZLWHZMLMR-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP COC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000248071357 139157942 /nfs/dbraw/zinc/15/79/42/139157942.db2.gz MPOUFLAEFHJJPC-MOPGFXCFSA-N 2 1 345.487 1.899 20 0 EDADMP CCCN(C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)[C@@H]1CC[NH2+]C1 ZINC000415395485 304212742 /nfs/dbraw/zinc/21/27/42/304212742.db2.gz SBRYDIMKAUVVSD-CQSZACIVSA-N 2 1 329.404 1.182 20 0 EDADMP C[C@H](O)C[C@@H]1CCC[NH+]1CC1(C[N@@H+]2CCC[C@H]2C[C@H](C)O)COC1 ZINC000248439471 139163944 /nfs/dbraw/zinc/16/39/44/139163944.db2.gz UGAHRGXXXFJYSQ-XSLAGTTESA-N 2 1 340.508 1.474 20 0 EDADMP CC[C@@H]1C[C@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCO1 ZINC000248548347 139167162 /nfs/dbraw/zinc/16/71/62/139167162.db2.gz JWKYZQQZSFDXOJ-BSLJZLGVSA-N 2 1 349.519 1.961 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000347012846 250052939 /nfs/dbraw/zinc/05/29/39/250052939.db2.gz KUFVMASDCSENGC-MRXNPFEDSA-N 2 1 326.529 1.687 20 0 EDADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000092615876 218154610 /nfs/dbraw/zinc/15/46/10/218154610.db2.gz FWLLKKPTSCBRMO-UHFFFAOYSA-N 2 1 325.403 1.855 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000352038401 250071449 /nfs/dbraw/zinc/07/14/49/250071449.db2.gz HRPWKTQWPNFKAC-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820965 218171936 /nfs/dbraw/zinc/17/19/36/218171936.db2.gz BLXCTSZXUONZLS-CYBMUJFWSA-N 2 1 333.436 1.203 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccn(C)c3)CC2)CC1 ZINC000093141628 218198084 /nfs/dbraw/zinc/19/80/84/218198084.db2.gz URCJSRCRCCZPCH-UHFFFAOYSA-N 2 1 332.492 1.791 20 0 EDADMP COC(=O)[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000249041768 139183829 /nfs/dbraw/zinc/18/38/29/139183829.db2.gz GTVNAXYDISKCKL-GOEBONIOSA-N 2 1 339.480 1.106 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000249041768 139183830 /nfs/dbraw/zinc/18/38/30/139183830.db2.gz GTVNAXYDISKCKL-GOEBONIOSA-N 2 1 339.480 1.106 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)c2C1 ZINC000415448973 304221445 /nfs/dbraw/zinc/22/14/45/304221445.db2.gz ITGSSFHTLXGSOU-MRXNPFEDSA-N 2 1 330.432 1.204 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)c2C1 ZINC000415448973 304221446 /nfs/dbraw/zinc/22/14/46/304221446.db2.gz ITGSSFHTLXGSOU-MRXNPFEDSA-N 2 1 330.432 1.204 20 0 EDADMP Fc1cccc(-c2nc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)co2)c1 ZINC000261603362 139209909 /nfs/dbraw/zinc/20/99/09/139209909.db2.gz CBSDGVYDTIVQOA-QGZVFWFLSA-N 2 1 330.407 1.960 20 0 EDADMP Fc1cccc(-c2nc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)co2)c1 ZINC000261603362 139209910 /nfs/dbraw/zinc/20/99/10/139209910.db2.gz CBSDGVYDTIVQOA-QGZVFWFLSA-N 2 1 330.407 1.960 20 0 EDADMP Brc1ccsc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261558297 139208995 /nfs/dbraw/zinc/20/89/95/139208995.db2.gz DERXJJKRNCMSNF-NSHDSACASA-N 2 1 330.295 1.990 20 0 EDADMP Brc1ccsc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261558297 139208996 /nfs/dbraw/zinc/20/89/96/139208996.db2.gz DERXJJKRNCMSNF-NSHDSACASA-N 2 1 330.295 1.990 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000261637950 139213257 /nfs/dbraw/zinc/21/32/57/139213257.db2.gz DPNYUYBDHIXJHY-LSDHHAIUSA-N 2 1 336.505 1.840 20 0 EDADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c1)C1CC1 ZINC000415453318 304222176 /nfs/dbraw/zinc/22/21/76/304222176.db2.gz MXSPWKOPPMEWFF-KRWDZBQOSA-N 2 1 344.459 1.115 20 0 EDADMP CCN1CCO[C@H](C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)C1 ZINC000261668613 139215713 /nfs/dbraw/zinc/21/57/13/139215713.db2.gz ABNAWOOMYBCKFL-CVEARBPZSA-N 2 1 337.851 1.534 20 0 EDADMP CCCn1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000261723547 139220603 /nfs/dbraw/zinc/22/06/03/139220603.db2.gz QYGMLKUNUYGJOI-DOTOQJQBSA-N 2 1 333.480 1.373 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1([NH3+])CCOCC1 ZINC000261747118 139222626 /nfs/dbraw/zinc/22/26/26/139222626.db2.gz DZRBEERFOHUVPT-SFHVURJKSA-N 2 1 345.487 1.865 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000261885954 139234081 /nfs/dbraw/zinc/23/40/81/139234081.db2.gz SKTHRDPFTMLVCV-ZACQAIPSSA-N 2 1 325.497 1.629 20 0 EDADMP c1cc2c(cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)OCCO2 ZINC000261943162 139238941 /nfs/dbraw/zinc/23/89/41/139238941.db2.gz NCFNFAOOSKRCCV-GVDBMIGSSA-N 2 1 332.444 1.747 20 0 EDADMP Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000262074870 139248897 /nfs/dbraw/zinc/24/88/97/139248897.db2.gz KGKXTNUOSOPRAJ-WMZOPIPTSA-N 2 1 331.460 1.579 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000414880575 250875020 /nfs/dbraw/zinc/87/50/20/250875020.db2.gz QHHOPKQFDLEOLD-INIZCTEOSA-N 2 1 346.475 1.581 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000415942037 251036498 /nfs/dbraw/zinc/03/64/98/251036498.db2.gz IDDSFXFQDHQEPR-WMLDXEAASA-N 2 1 332.448 1.590 20 0 EDADMP [NH3+]CC1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000262238401 139262616 /nfs/dbraw/zinc/26/26/16/139262616.db2.gz KRYDGLKZSWIJSE-QGZVFWFLSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)CCCO1 ZINC000416010781 251046470 /nfs/dbraw/zinc/04/64/70/251046470.db2.gz ORDCHMVNVUBMJU-CQSZACIVSA-N 2 1 332.448 1.912 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262250153 139263545 /nfs/dbraw/zinc/26/35/45/139263545.db2.gz LOAMENCYCWWTDZ-RDJZCZTQSA-N 2 1 331.460 1.694 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N[C@@H](C)CC[NH3+])cc2)CC1 ZINC000416992243 251120659 /nfs/dbraw/zinc/12/06/59/251120659.db2.gz PDMXZIZAEFBOLN-INIZCTEOSA-N 2 1 347.507 1.361 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417015098 251132680 /nfs/dbraw/zinc/13/26/80/251132680.db2.gz DZNKUVKVPLUFNB-CRAIPNDOSA-N 2 1 330.476 1.875 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000417090554 251140576 /nfs/dbraw/zinc/14/05/76/251140576.db2.gz XAPVEDGSHMWHGX-ZWKOTPCHSA-N 2 1 346.475 1.410 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417171309 251144054 /nfs/dbraw/zinc/14/40/54/251144054.db2.gz GLYKCYIXVJTBLJ-GOSISDBHSA-N 2 1 348.491 1.691 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000417220546 251147701 /nfs/dbraw/zinc/14/77/01/251147701.db2.gz LPTMULLKPOOTLQ-ZIAGYGMSSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000417220546 251147706 /nfs/dbraw/zinc/14/77/06/251147706.db2.gz LPTMULLKPOOTLQ-ZIAGYGMSSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CC[C@@H](C[NH3+])C3)c2)CCO1 ZINC000417268442 251151291 /nfs/dbraw/zinc/15/12/91/251151291.db2.gz JLSPNHUYOTXYQZ-QAPCUYQASA-N 2 1 346.475 1.398 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CC[C@@H](C[NH3+])C3)c2)CCO1 ZINC000417268442 251151294 /nfs/dbraw/zinc/15/12/94/251151294.db2.gz JLSPNHUYOTXYQZ-QAPCUYQASA-N 2 1 346.475 1.398 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000417413245 251165514 /nfs/dbraw/zinc/16/55/14/251165514.db2.gz XPGIWWDZKGVSNZ-MSOLQXFVSA-N 2 1 330.476 1.889 20 0 EDADMP C[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000417657130 251215832 /nfs/dbraw/zinc/21/58/32/251215832.db2.gz XRSHBTJDZTZJIG-AWEZNQCLSA-N 2 1 344.381 1.798 20 0 EDADMP C[NH2+][C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cnn(C)c1 ZINC000262397393 139276084 /nfs/dbraw/zinc/27/60/84/139276084.db2.gz PARKVTZMMMTSAA-QGZVFWFLSA-N 2 1 333.480 1.594 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)[nH+]1 ZINC000417688113 251229851 /nfs/dbraw/zinc/22/98/51/251229851.db2.gz DIWTVMIKVQFWEK-HOCLYGCPSA-N 2 1 331.464 1.785 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N3C[C@H](C[NH3+])C[C@@H]3C)CC2)[nH+]c1 ZINC000417724230 251242981 /nfs/dbraw/zinc/24/29/81/251242981.db2.gz DIUSQQOXIFKTKI-GJZGRUSLSA-N 2 1 331.464 1.738 20 0 EDADMP CC[NH2+]CCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417726835 251244957 /nfs/dbraw/zinc/24/49/57/251244957.db2.gz IDWMRFNDPRXEKV-INIZCTEOSA-N 2 1 333.480 1.106 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000417843342 251294408 /nfs/dbraw/zinc/29/44/08/251294408.db2.gz GZKCJPNSJAIPNX-SFHVURJKSA-N 2 1 332.423 1.764 20 0 EDADMP CC[N@@H+](CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)CCC(F)(F)F ZINC000418078133 251321677 /nfs/dbraw/zinc/32/16/77/251321677.db2.gz NODVEUULMRZQSR-ZDUSSCGKSA-N 2 1 336.402 1.797 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCCO1 ZINC000418113652 251327351 /nfs/dbraw/zinc/32/73/51/251327351.db2.gz JXBQHGLVPKYFFS-BRWVUGGUSA-N 2 1 340.512 1.552 20 0 EDADMP [NH3+]C[C@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000417851928 251297660 /nfs/dbraw/zinc/29/76/60/251297660.db2.gz YYYINCNSWSFPFB-ABHNRTSZSA-N 2 1 330.476 1.062 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCC(F)(F)CN)C1CC1 ZINC000418143370 251343199 /nfs/dbraw/zinc/34/31/99/251343199.db2.gz MASSWDLPUMEPPQ-OAHLLOKOSA-N 2 1 340.418 1.790 20 0 EDADMP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCC(F)(F)C[NH3+])C1CC1 ZINC000418143370 251343201 /nfs/dbraw/zinc/34/32/01/251343201.db2.gz MASSWDLPUMEPPQ-OAHLLOKOSA-N 2 1 340.418 1.790 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc(N2CCCC2)[nH+]1 ZINC000418195897 251352534 /nfs/dbraw/zinc/35/25/34/251352534.db2.gz GTXMIHKBUJQTTB-JKSUJKDBSA-N 2 1 331.464 1.917 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC000418201716 251355734 /nfs/dbraw/zinc/35/57/34/251355734.db2.gz SGPAVPYYSHALFC-ZBFHGGJFSA-N 2 1 331.464 1.869 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)C[C@@H]1CC ZINC000418307248 251358204 /nfs/dbraw/zinc/35/82/04/251358204.db2.gz CSBGOCNJECLLAO-IKGGRYGDSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[N@H+]1CCC[C@H](C)C1 ZINC000262671062 139295183 /nfs/dbraw/zinc/29/51/83/139295183.db2.gz NZDIWIFMVNSIHV-KBPBESRZSA-N 2 1 334.468 1.053 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000422886402 252012599 /nfs/dbraw/zinc/01/25/99/252012599.db2.gz WREIXYWFBIJIGO-CVEARBPZSA-N 2 1 349.475 1.960 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)cc1 ZINC000422892679 252013489 /nfs/dbraw/zinc/01/34/89/252013489.db2.gz ZEFJLWSSTDIQNS-RDTXWAMCSA-N 2 1 331.460 1.966 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000423782681 252071534 /nfs/dbraw/zinc/07/15/34/252071534.db2.gz IZSMALAHWIHFBJ-JYJNAYRXSA-N 2 1 339.480 1.380 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000423356429 252052536 /nfs/dbraw/zinc/05/25/36/252052536.db2.gz GSRFKQQDKTWPBF-GDBMZVCRSA-N 2 1 342.447 1.192 20 0 EDADMP CC[C@]1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000424022434 252116513 /nfs/dbraw/zinc/11/65/13/252116513.db2.gz UFGUZBRUAWOCQF-HXUWFJFHSA-N 2 1 344.503 1.628 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000423795721 252077333 /nfs/dbraw/zinc/07/73/33/252077333.db2.gz ZHWHWPFDBJAVDW-HNNXBMFYSA-N 2 1 347.459 1.158 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424216192 252165666 /nfs/dbraw/zinc/16/56/66/252165666.db2.gz IBQKDTHELUBXLR-OKZBNKHCSA-N 2 1 345.512 1.814 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000424430766 252226470 /nfs/dbraw/zinc/22/64/70/252226470.db2.gz DBRSXOMETIRXKF-KRWDZBQOSA-N 2 1 334.464 1.812 20 0 EDADMP O=C(NC[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424479867 252247984 /nfs/dbraw/zinc/24/79/84/252247984.db2.gz PDJLATSWHMUQOC-CEXWTWQISA-N 2 1 342.487 1.902 20 0 EDADMP COCC[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000169086628 285075261 /nfs/dbraw/zinc/07/52/61/285075261.db2.gz VJCXXNXQBIBVNL-LPHOPBHVSA-N 2 1 349.475 1.430 20 0 EDADMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000423839417 285076324 /nfs/dbraw/zinc/07/63/24/285076324.db2.gz YHHAXKGEFFVYDJ-GDBMZVCRSA-N 2 1 325.840 1.437 20 0 EDADMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000423839417 285076327 /nfs/dbraw/zinc/07/63/27/285076327.db2.gz YHHAXKGEFFVYDJ-GDBMZVCRSA-N 2 1 325.840 1.437 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)CCC[NH+](C)CCN(C)C)C1 ZINC000358581981 296389038 /nfs/dbraw/zinc/38/90/38/296389038.db2.gz ACRHLYNTCLGNHZ-QGZVFWFLSA-N 2 1 341.544 1.243 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000358581981 296389040 /nfs/dbraw/zinc/38/90/40/296389040.db2.gz ACRHLYNTCLGNHZ-QGZVFWFLSA-N 2 1 341.544 1.243 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1 ZINC000358581981 296389042 /nfs/dbraw/zinc/38/90/42/296389042.db2.gz ACRHLYNTCLGNHZ-QGZVFWFLSA-N 2 1 341.544 1.243 20 0 EDADMP C[C@@H]1CCC[N@H+](CCNC(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000358581981 296389045 /nfs/dbraw/zinc/38/90/45/296389045.db2.gz ACRHLYNTCLGNHZ-QGZVFWFLSA-N 2 1 341.544 1.243 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000358581981 296389046 /nfs/dbraw/zinc/38/90/46/296389046.db2.gz ACRHLYNTCLGNHZ-QGZVFWFLSA-N 2 1 341.544 1.243 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000487557459 255032389 /nfs/dbraw/zinc/03/23/89/255032389.db2.gz JVOQBJBHDFIFMC-OQIJWPOYSA-N 2 1 327.472 1.775 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000487557459 255032391 /nfs/dbraw/zinc/03/23/91/255032391.db2.gz JVOQBJBHDFIFMC-OQIJWPOYSA-N 2 1 327.472 1.775 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000487557459 255032392 /nfs/dbraw/zinc/03/23/92/255032392.db2.gz JVOQBJBHDFIFMC-OQIJWPOYSA-N 2 1 327.472 1.775 20 0 EDADMP C[NH+](C)C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000495193500 255272597 /nfs/dbraw/zinc/27/25/97/255272597.db2.gz WJZFRHLVPADOPU-DKUMPPAJSA-N 2 1 327.469 1.429 20 0 EDADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496381746 255389720 /nfs/dbraw/zinc/38/97/20/255389720.db2.gz HBPDVJODXMJDHF-GOSISDBHSA-N 2 1 346.475 1.281 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496386647 255390281 /nfs/dbraw/zinc/39/02/81/255390281.db2.gz QOTTUZLTLKWHTR-CQSZACIVSA-N 2 1 341.500 1.745 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)COC ZINC000341164486 285277712 /nfs/dbraw/zinc/27/77/12/285277712.db2.gz NHDCLZASKYFMFK-HOTGVXAUSA-N 2 1 328.501 1.326 20 0 EDADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000118721857 221173573 /nfs/dbraw/zinc/17/35/73/221173573.db2.gz MFXJLGYCMRZGDQ-IBGZPJMESA-N 2 1 345.487 1.614 20 0 EDADMP CC[NH+]1CCN(CCC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000111631314 285315892 /nfs/dbraw/zinc/31/58/92/285315892.db2.gz KFGFSXVGDIMRIY-SFHVURJKSA-N 2 1 346.519 1.651 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000111631314 285315897 /nfs/dbraw/zinc/31/58/97/285315897.db2.gz KFGFSXVGDIMRIY-SFHVURJKSA-N 2 1 346.519 1.651 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000111631314 285315902 /nfs/dbraw/zinc/31/59/02/285315902.db2.gz KFGFSXVGDIMRIY-SFHVURJKSA-N 2 1 346.519 1.651 20 0 EDADMP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264192138 139385755 /nfs/dbraw/zinc/38/57/55/139385755.db2.gz CHVPVHMCZISFEN-HKUYNNGSSA-N 2 1 344.503 1.385 20 0 EDADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264192138 139385756 /nfs/dbraw/zinc/38/57/56/139385756.db2.gz CHVPVHMCZISFEN-HKUYNNGSSA-N 2 1 344.503 1.385 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000174690819 533280010 /nfs/dbraw/zinc/28/00/10/533280010.db2.gz CKMXGRJKLRODJJ-UHFFFAOYSA-N 2 1 328.501 1.518 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000415935364 304286212 /nfs/dbraw/zinc/28/62/12/304286212.db2.gz UQALZVZMQIXLGB-RHSMWYFYSA-N 2 1 334.464 1.715 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000416226914 304298213 /nfs/dbraw/zinc/29/82/13/304298213.db2.gz OGSMRASHQSCTBR-SFHVURJKSA-N 2 1 346.519 1.822 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCc4ccccc4C3)C2)C1 ZINC000416237793 304298768 /nfs/dbraw/zinc/29/87/68/304298768.db2.gz FWCLQPZCJXQVLT-FQEVSTJZSA-N 2 1 327.472 1.989 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)C2)C1 ZINC000416237793 304298769 /nfs/dbraw/zinc/29/87/69/304298769.db2.gz FWCLQPZCJXQVLT-FQEVSTJZSA-N 2 1 327.472 1.989 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+]3CCc4ccccc4C3)C2)C1 ZINC000416237793 304298770 /nfs/dbraw/zinc/29/87/70/304298770.db2.gz FWCLQPZCJXQVLT-FQEVSTJZSA-N 2 1 327.472 1.989 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC[C@H]1[NH3+] ZINC000269281568 139908256 /nfs/dbraw/zinc/90/82/56/139908256.db2.gz QWXXOHGULKDCOL-DJIMGWMZSA-N 2 1 333.501 1.972 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(c2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000271303293 140274533 /nfs/dbraw/zinc/27/45/33/140274533.db2.gz JDTPGZQUHAGMBH-ZDUSSCGKSA-N 2 1 338.419 1.845 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C2 ZINC000332639110 141220771 /nfs/dbraw/zinc/22/07/71/141220771.db2.gz QPIBLRPQNJANEO-UKRRQHHQSA-N 2 1 334.464 1.058 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C2 ZINC000332639110 141220773 /nfs/dbraw/zinc/22/07/73/141220773.db2.gz QPIBLRPQNJANEO-UKRRQHHQSA-N 2 1 334.464 1.058 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000332675056 141227427 /nfs/dbraw/zinc/22/74/27/141227427.db2.gz REZYJZNZUKOFRX-PBHICJAKSA-N 2 1 332.448 1.638 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000333295865 141294213 /nfs/dbraw/zinc/29/42/13/141294213.db2.gz LTYCWCOQJXWJMJ-MSOLQXFVSA-N 2 1 337.508 1.602 20 0 EDADMP Cc1nn(-c2ccncc2)cc1CN1CCNC(=O)[C@H]1CC(C)C ZINC000333298069 141294910 /nfs/dbraw/zinc/29/49/10/141294910.db2.gz BKDDKWSVAIZPHJ-QGZVFWFLSA-N 2 1 327.432 1.922 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)[C@@H](C)C1 ZINC000333368963 141306917 /nfs/dbraw/zinc/30/69/17/141306917.db2.gz UTILQQDBTLHDFE-UONOGXRCSA-N 2 1 348.447 1.087 20 0 EDADMP CC[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000339286233 142004707 /nfs/dbraw/zinc/00/47/07/142004707.db2.gz WUJOEFUKJFKJHJ-PKOBYXMFSA-N 2 1 347.503 1.982 20 0 EDADMP CC[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000339286233 142004709 /nfs/dbraw/zinc/00/47/09/142004709.db2.gz WUJOEFUKJFKJHJ-PKOBYXMFSA-N 2 1 347.503 1.982 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000339317681 142013137 /nfs/dbraw/zinc/01/31/37/142013137.db2.gz ZEFMPCWAOKIAGP-UHFFFAOYSA-N 2 1 328.501 1.518 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]C1(Cc2cccc(F)c2)CCOCC1)C1CC1 ZINC000339526335 142066199 /nfs/dbraw/zinc/06/61/99/142066199.db2.gz GJCNOIGZOJIPPZ-SFHVURJKSA-N 2 1 336.451 1.962 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]C1(Cc2cccc(F)c2)CCOCC1)C1CC1 ZINC000339526335 142066200 /nfs/dbraw/zinc/06/62/00/142066200.db2.gz GJCNOIGZOJIPPZ-SFHVURJKSA-N 2 1 336.451 1.962 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000344858892 143020469 /nfs/dbraw/zinc/02/04/69/143020469.db2.gz RTNSIUCIVVVNPK-LJQANCHMSA-N 2 1 347.503 1.985 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCO[C@H](C)C1 ZINC000345594070 143109645 /nfs/dbraw/zinc/10/96/45/143109645.db2.gz LUFSJXKFCZWADS-IXDOHACOSA-N 2 1 325.497 1.676 20 0 EDADMP COc1cccc([C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[NH+](C)C)c1 ZINC000345634597 143114801 /nfs/dbraw/zinc/11/48/01/143114801.db2.gz HMBGGIRMZZLRHB-ZWKOTPCHSA-N 2 1 349.475 1.523 20 0 EDADMP C[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]1CCN(c2ccccc2)CC1 ZINC000345698403 143122861 /nfs/dbraw/zinc/12/28/61/143122861.db2.gz SKBOQMZVHOOZMB-HIFRSBDPSA-N 2 1 340.418 1.296 20 0 EDADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000346146289 143172187 /nfs/dbraw/zinc/17/21/87/143172187.db2.gz INXVMKMAMGGCBE-IEBWSBKVSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000346146289 143172188 /nfs/dbraw/zinc/17/21/88/143172188.db2.gz INXVMKMAMGGCBE-IEBWSBKVSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000346146289 143172189 /nfs/dbraw/zinc/17/21/89/143172189.db2.gz INXVMKMAMGGCBE-IEBWSBKVSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000346146289 143172190 /nfs/dbraw/zinc/17/21/90/143172190.db2.gz INXVMKMAMGGCBE-IEBWSBKVSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346340514 143193640 /nfs/dbraw/zinc/19/36/40/143193640.db2.gz QPHZLZBHNPTCBP-MJGOQNOKSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346340514 143193641 /nfs/dbraw/zinc/19/36/41/143193641.db2.gz QPHZLZBHNPTCBP-MJGOQNOKSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346340514 143193642 /nfs/dbraw/zinc/19/36/42/143193642.db2.gz QPHZLZBHNPTCBP-MJGOQNOKSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346340514 143193643 /nfs/dbraw/zinc/19/36/43/143193643.db2.gz QPHZLZBHNPTCBP-MJGOQNOKSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000346444531 143205343 /nfs/dbraw/zinc/20/53/43/143205343.db2.gz CGAVONIAELYZED-ZIFCJYIRSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000346444531 143205344 /nfs/dbraw/zinc/20/53/44/143205344.db2.gz CGAVONIAELYZED-ZIFCJYIRSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000346444531 143205345 /nfs/dbraw/zinc/20/53/45/143205345.db2.gz CGAVONIAELYZED-ZIFCJYIRSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000346444531 143205346 /nfs/dbraw/zinc/20/53/46/143205346.db2.gz CGAVONIAELYZED-ZIFCJYIRSA-N 2 1 345.487 1.280 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C[C@@H]12 ZINC000346839093 143250563 /nfs/dbraw/zinc/25/05/63/143250563.db2.gz YFFUYJJLTIVKIY-NWANDNLSSA-N 2 1 326.400 1.975 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000346999746 143269760 /nfs/dbraw/zinc/26/97/60/143269760.db2.gz ZCRSFWMKGBPKJH-HNNXBMFYSA-N 2 1 326.485 1.271 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000347037018 143274722 /nfs/dbraw/zinc/27/47/22/143274722.db2.gz FMCATJUVVGGOJM-LBPRGKRZSA-N 2 1 335.839 1.275 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000347037018 143274723 /nfs/dbraw/zinc/27/47/23/143274723.db2.gz FMCATJUVVGGOJM-LBPRGKRZSA-N 2 1 335.839 1.275 20 0 EDADMP CCC[C@H]1CN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC[N@H+]1CCOC ZINC000347055405 143277190 /nfs/dbraw/zinc/27/71/90/143277190.db2.gz LJUMSZNNPAEPEN-SJORKVTESA-N 2 1 342.528 1.859 20 0 EDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000347226525 143297257 /nfs/dbraw/zinc/29/72/57/143297257.db2.gz WFKIFRKHANKUOL-ZDUSSCGKSA-N 2 1 328.416 1.889 20 0 EDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000347226525 143297258 /nfs/dbraw/zinc/29/72/58/143297258.db2.gz WFKIFRKHANKUOL-ZDUSSCGKSA-N 2 1 328.416 1.889 20 0 EDADMP COC(=O)[C@H]([NH+]1CCC(C[NH+]2CCOCC2)CC1)C1(OC)CCC1 ZINC000347752753 143358326 /nfs/dbraw/zinc/35/83/26/143358326.db2.gz KKEAFTQUPIRBDR-INIZCTEOSA-N 2 1 340.464 1.141 20 0 EDADMP CC(C)[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)[NH+](C)C ZINC000347866880 143372273 /nfs/dbraw/zinc/37/22/73/143372273.db2.gz LCGYYEPERDWXIP-NXHRZFHOSA-N 2 1 349.523 1.848 20 0 EDADMP CN(C(=O)c1ccccc1OCC[NH+](C)C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347883137 143374578 /nfs/dbraw/zinc/37/45/78/143374578.db2.gz BWVFUTUMTWLYJJ-MRXNPFEDSA-N 2 1 331.460 1.936 20 0 EDADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000572850765 306601152 /nfs/dbraw/zinc/60/11/52/306601152.db2.gz CPAXJWMTCXKMIN-CQSZACIVSA-N 2 1 330.388 1.274 20 0 EDADMP CC(C)(CNC(=O)NCC[NH+]1CCSCC1)[NH+]1CCCCC1 ZINC000352656967 149102958 /nfs/dbraw/zinc/10/29/58/149102958.db2.gz RFNONBDKKWSNIW-UHFFFAOYSA-N 2 1 328.526 1.599 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCC[C@@H]2O)CC1 ZINC000352661719 149106166 /nfs/dbraw/zinc/10/61/66/149106166.db2.gz UWCGFFDXPYSVMY-NEWSRXKRSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2O)CC1 ZINC000352661719 149106169 /nfs/dbraw/zinc/10/61/69/149106169.db2.gz UWCGFFDXPYSVMY-NEWSRXKRSA-N 2 1 345.487 1.737 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000416958819 304355368 /nfs/dbraw/zinc/35/53/68/304355368.db2.gz PFESWJPOSVGYLV-GOEBONIOSA-N 2 1 326.485 1.127 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC(F)(F)C[NH3+])CC1 ZINC000416975058 304359050 /nfs/dbraw/zinc/35/90/50/304359050.db2.gz MFQQHMHVJMFAGM-UHFFFAOYSA-N 2 1 340.418 1.853 20 0 EDADMP CNC(=O)NC(=O)CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354889707 150013650 /nfs/dbraw/zinc/01/36/50/150013650.db2.gz DXXZGLPKHDDREO-UHFFFAOYSA-N 2 1 333.436 1.076 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417028783 304362273 /nfs/dbraw/zinc/36/22/73/304362273.db2.gz BVJQEESQOOCJGG-XDNAFOTISA-N 2 1 336.524 1.995 20 0 EDADMP C[NH2+]CCCNC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417034224 304363821 /nfs/dbraw/zinc/36/38/21/304363821.db2.gz DZSSEHVXQFSUIR-MRXNPFEDSA-N 2 1 333.480 1.106 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417036343 304364184 /nfs/dbraw/zinc/36/41/84/304364184.db2.gz HPJJYXHGRUTXDP-IAGOWNOFSA-N 2 1 339.528 1.221 20 0 EDADMP CC1(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000417040012 304364700 /nfs/dbraw/zinc/36/47/00/304364700.db2.gz VMJLSYQZEZSGPE-UHFFFAOYSA-N 2 1 330.476 1.876 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000358063956 151254991 /nfs/dbraw/zinc/25/49/91/151254991.db2.gz JUYKWUGDQVPNJI-IBGZPJMESA-N 2 1 331.460 1.469 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@H]1CN1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000358082730 151264237 /nfs/dbraw/zinc/26/42/37/151264237.db2.gz WZXJNWKARDZNCY-RDJZCZTQSA-N 2 1 336.480 1.143 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358122681 151279445 /nfs/dbraw/zinc/27/94/45/151279445.db2.gz ZGMYDRREMBAZNR-XYJFISCASA-N 2 1 334.508 1.146 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[NH+]2CCN1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358122681 151279446 /nfs/dbraw/zinc/27/94/46/151279446.db2.gz ZGMYDRREMBAZNR-XYJFISCASA-N 2 1 334.508 1.146 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[NH+]2CCN1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358122681 151279448 /nfs/dbraw/zinc/27/94/48/151279448.db2.gz ZGMYDRREMBAZNR-XYJFISCASA-N 2 1 334.508 1.146 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000358142809 151286968 /nfs/dbraw/zinc/28/69/68/151286968.db2.gz RLEXAUHOCNVCCI-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000358277573 151324217 /nfs/dbraw/zinc/32/42/17/151324217.db2.gz PSAWHSQNJRGYIW-QGZVFWFLSA-N 2 1 340.512 1.349 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000358277573 151324218 /nfs/dbraw/zinc/32/42/18/151324218.db2.gz PSAWHSQNJRGYIW-QGZVFWFLSA-N 2 1 340.512 1.349 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000358277573 151324220 /nfs/dbraw/zinc/32/42/20/151324220.db2.gz PSAWHSQNJRGYIW-QGZVFWFLSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358491435 151392919 /nfs/dbraw/zinc/39/29/19/151392919.db2.gz FFBPTNQUHVPBOK-HRCADAONSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)NCCC[NH3+])C[C@@H](C)O1 ZINC000417103312 304372518 /nfs/dbraw/zinc/37/25/18/304372518.db2.gz JPMCMPAGUCRGOY-HUUCEWRRSA-N 2 1 334.464 1.444 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[C@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000417111245 304373262 /nfs/dbraw/zinc/37/32/62/304373262.db2.gz LPOUEFWTVMNWJO-IPYPFGDCSA-N 2 1 336.505 1.921 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[C@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000417111245 304373264 /nfs/dbraw/zinc/37/32/64/304373264.db2.gz LPOUEFWTVMNWJO-IPYPFGDCSA-N 2 1 336.505 1.921 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCSC1 ZINC000360670658 152146658 /nfs/dbraw/zinc/14/66/58/152146658.db2.gz YLMAOGXBNQYCLE-PBHICJAKSA-N 2 1 340.537 1.740 20 0 EDADMP CSC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000360687074 152153503 /nfs/dbraw/zinc/15/35/03/152153503.db2.gz ABVLFBFVCONXFT-LSDHHAIUSA-N 2 1 342.553 1.938 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@H+]1C ZINC000360743692 152180878 /nfs/dbraw/zinc/18/08/78/152180878.db2.gz FYCHPTGPIJPVSQ-IIAWOOMASA-N 2 1 328.526 1.548 20 0 EDADMP Cc1cccc(CNC(=O)CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000360973025 152267432 /nfs/dbraw/zinc/26/74/32/152267432.db2.gz RGQUAYQGTGPNDB-IBGZPJMESA-N 2 1 344.503 1.323 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3ccncn3)C2)CC1 ZINC000360974627 152268394 /nfs/dbraw/zinc/26/83/94/152268394.db2.gz ZNBPEUBYVDQUSL-MRXNPFEDSA-N 2 1 345.491 1.645 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3ccncn3)C2)CC1 ZINC000360974627 152268396 /nfs/dbraw/zinc/26/83/96/152268396.db2.gz ZNBPEUBYVDQUSL-MRXNPFEDSA-N 2 1 345.491 1.645 20 0 EDADMP Cn1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C(F)F)n1 ZINC000361180499 152327603 /nfs/dbraw/zinc/32/76/03/152327603.db2.gz SFORFLJGUOIACX-UHFFFAOYSA-N 2 1 328.407 1.902 20 0 EDADMP CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCOCC1 ZINC000370143656 155346412 /nfs/dbraw/zinc/34/64/12/155346412.db2.gz XFBMHOGXLFKBAC-DOTOQJQBSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@H](CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000361720342 152478207 /nfs/dbraw/zinc/47/82/07/152478207.db2.gz YAHDEJLCZBVNHA-NJAFHUGGSA-N 2 1 337.508 1.772 20 0 EDADMP [NH3+][C@H](CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000417176312 304380567 /nfs/dbraw/zinc/38/05/67/304380567.db2.gz KZLOSVPHVHATQH-QGZVFWFLSA-N 2 1 332.448 1.055 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000417170104 304380361 /nfs/dbraw/zinc/38/03/61/304380361.db2.gz DZJUSNQBNHOFOT-YJBOKZPZSA-N 2 1 346.475 1.398 20 0 EDADMP C[C@H]1[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCC12CCOCC2 ZINC000363869100 153080513 /nfs/dbraw/zinc/08/05/13/153080513.db2.gz PRHSNWRSKDBMOW-MRXNPFEDSA-N 2 1 345.491 1.619 20 0 EDADMP C[C@H]1[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCC12CCOCC2 ZINC000363869100 153080515 /nfs/dbraw/zinc/08/05/15/153080515.db2.gz PRHSNWRSKDBMOW-MRXNPFEDSA-N 2 1 345.491 1.619 20 0 EDADMP C[NH+](C)C[C@H]1CCCCN1C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000364875070 153357885 /nfs/dbraw/zinc/35/78/85/153357885.db2.gz BJOWPLLFZZZQIC-MRXNPFEDSA-N 2 1 347.507 1.668 20 0 EDADMP C[NH+](C)C[C@H]1CCCCN1C(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000364875070 153357887 /nfs/dbraw/zinc/35/78/87/153357887.db2.gz BJOWPLLFZZZQIC-MRXNPFEDSA-N 2 1 347.507 1.668 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NCC2(COC)CC[NH2+]CC2)C1 ZINC000417241202 304387266 /nfs/dbraw/zinc/38/72/66/304387266.db2.gz QWQZXXSEISFPGI-OAHLLOKOSA-N 2 1 326.485 1.034 20 0 EDADMP COC(=O)Cn1cc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)nn1 ZINC000367139147 154019684 /nfs/dbraw/zinc/01/96/84/154019684.db2.gz JHCQIZRGYGIWAQ-MRXNPFEDSA-N 2 1 349.479 1.192 20 0 EDADMP COC(=O)Cn1cc(CC[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)nn1 ZINC000367139147 154019685 /nfs/dbraw/zinc/01/96/85/154019685.db2.gz JHCQIZRGYGIWAQ-MRXNPFEDSA-N 2 1 349.479 1.192 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CC1 ZINC000367305993 154074104 /nfs/dbraw/zinc/07/41/04/154074104.db2.gz SUPKMWWMRJMLMW-HNNXBMFYSA-N 2 1 346.479 1.026 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CC1 ZINC000367305993 154074106 /nfs/dbraw/zinc/07/41/06/154074106.db2.gz SUPKMWWMRJMLMW-HNNXBMFYSA-N 2 1 346.479 1.026 20 0 EDADMP C[NH2+][C@H](C(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1)c1cnn(C)c1 ZINC000367604268 154196935 /nfs/dbraw/zinc/19/69/35/154196935.db2.gz AHLWQLLQOUEOPX-SJORKVTESA-N 2 1 333.480 1.548 20 0 EDADMP CC(C)CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367687102 154230680 /nfs/dbraw/zinc/23/06/80/154230680.db2.gz WGOAUSCAITVTCY-AEFFLSMTSA-N 2 1 338.540 1.638 20 0 EDADMP CC(C)CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367687102 154230682 /nfs/dbraw/zinc/23/06/82/154230682.db2.gz WGOAUSCAITVTCY-AEFFLSMTSA-N 2 1 338.540 1.638 20 0 EDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COCc3ccc4c(c3)OCO4)C2)C1 ZINC000367846285 154296330 /nfs/dbraw/zinc/29/63/30/154296330.db2.gz LPVQAHCVDWKAJY-QFBILLFUSA-N 2 1 348.443 1.320 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)COCc3ccc4c(c3)OCO4)C2)C1 ZINC000367846285 154296332 /nfs/dbraw/zinc/29/63/32/154296332.db2.gz LPVQAHCVDWKAJY-QFBILLFUSA-N 2 1 348.443 1.320 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)COCc3ccc4c(c3)OCO4)C2)C1 ZINC000367846285 154296336 /nfs/dbraw/zinc/29/63/36/154296336.db2.gz LPVQAHCVDWKAJY-QFBILLFUSA-N 2 1 348.443 1.320 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)CN1CCn2ccnc2C1 ZINC000367893695 154316031 /nfs/dbraw/zinc/31/60/31/154316031.db2.gz MYYMNLIXSWKFKC-MRXNPFEDSA-N 2 1 347.507 1.716 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000367893695 154316037 /nfs/dbraw/zinc/31/60/37/154316037.db2.gz MYYMNLIXSWKFKC-MRXNPFEDSA-N 2 1 347.507 1.716 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000367893695 154316039 /nfs/dbraw/zinc/31/60/39/154316039.db2.gz MYYMNLIXSWKFKC-MRXNPFEDSA-N 2 1 347.507 1.716 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000367893695 154316041 /nfs/dbraw/zinc/31/60/41/154316041.db2.gz MYYMNLIXSWKFKC-MRXNPFEDSA-N 2 1 347.507 1.716 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417342045 304392746 /nfs/dbraw/zinc/39/27/46/304392746.db2.gz OLGSVUMVOKNNLA-VKJFTORMSA-N 2 1 330.476 1.860 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000417395072 304396075 /nfs/dbraw/zinc/39/60/75/304396075.db2.gz RAAMGRGUFANNOY-SJORKVTESA-N 2 1 345.422 1.857 20 0 EDADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372064751 156228340 /nfs/dbraw/zinc/22/83/40/156228340.db2.gz JCLARSVFGVLKMG-BNOWGMLFSA-N 2 1 343.269 1.487 20 0 EDADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372064751 156228346 /nfs/dbraw/zinc/22/83/46/156228346.db2.gz JCLARSVFGVLKMG-BNOWGMLFSA-N 2 1 343.269 1.487 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)C1 ZINC000372341784 156343521 /nfs/dbraw/zinc/34/35/21/156343521.db2.gz IWMMNFWQHWPXHW-ZACQAIPSSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2C[NH+]3CCCC[C@@H]3CO2)C1 ZINC000372341784 156343535 /nfs/dbraw/zinc/34/35/35/156343535.db2.gz IWMMNFWQHWPXHW-ZACQAIPSSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2C[NH+]3CCCC[C@@H]3CO2)C1 ZINC000372341784 156343541 /nfs/dbraw/zinc/34/35/41/156343541.db2.gz IWMMNFWQHWPXHW-ZACQAIPSSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)C1 ZINC000372341784 156343547 /nfs/dbraw/zinc/34/35/47/156343547.db2.gz IWMMNFWQHWPXHW-ZACQAIPSSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)C1 ZINC000372341784 156343550 /nfs/dbraw/zinc/34/35/50/156343550.db2.gz IWMMNFWQHWPXHW-ZACQAIPSSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@@H+]1CCN(CCNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1(C)C ZINC000374213055 157196798 /nfs/dbraw/zinc/19/67/98/157196798.db2.gz VKXUVVDPQFNCOB-GOSISDBHSA-N 2 1 344.503 1.403 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1(C)C ZINC000374213055 157196800 /nfs/dbraw/zinc/19/68/00/157196800.db2.gz VKXUVVDPQFNCOB-GOSISDBHSA-N 2 1 344.503 1.403 20 0 EDADMP C[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1(C)C ZINC000374213055 157196803 /nfs/dbraw/zinc/19/68/03/157196803.db2.gz VKXUVVDPQFNCOB-GOSISDBHSA-N 2 1 344.503 1.403 20 0 EDADMP C[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1(C)C ZINC000374213055 157196807 /nfs/dbraw/zinc/19/68/07/157196807.db2.gz VKXUVVDPQFNCOB-GOSISDBHSA-N 2 1 344.503 1.403 20 0 EDADMP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1)C1CCOCC1 ZINC000374603411 157343401 /nfs/dbraw/zinc/34/34/01/157343401.db2.gz MSJCAJKNKYJKGV-RBUKOAKNSA-N 2 1 345.487 1.564 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(N2CCN(C)CC2=O)CC1 ZINC000374749877 157386787 /nfs/dbraw/zinc/38/67/87/157386787.db2.gz DMRCKPGQIDHMJW-UHFFFAOYSA-N 3 1 333.480 1.210 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCOc3cc(OC)ccc3C2)CC1 ZINC000374775400 157395190 /nfs/dbraw/zinc/39/51/90/157395190.db2.gz JONXSRRGOCAWQT-HNNXBMFYSA-N 2 1 347.459 1.442 20 0 EDADMP COc1ccc(C[C@@H]2CCC[N@H+]2CCC(=O)N2CCN(C)CC2)cc1 ZINC000374774317 157395568 /nfs/dbraw/zinc/39/55/68/157395568.db2.gz FXAIDCSHVWGITO-SFHVURJKSA-N 2 1 345.487 1.866 20 0 EDADMP COc1ccc(C[C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000374774317 157395572 /nfs/dbraw/zinc/39/55/72/157395572.db2.gz FXAIDCSHVWGITO-SFHVURJKSA-N 2 1 345.487 1.866 20 0 EDADMP COc1ccc(C[C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000374774317 157395575 /nfs/dbraw/zinc/39/55/75/157395575.db2.gz FXAIDCSHVWGITO-SFHVURJKSA-N 2 1 345.487 1.866 20 0 EDADMP CCC[C@@]1(CO)CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000377842740 158007982 /nfs/dbraw/zinc/00/79/82/158007982.db2.gz LVTDAJLLFNEXGI-GOSISDBHSA-N 2 1 333.480 1.213 20 0 EDADMP CCC[C@@]1(CO)CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000377842740 158007985 /nfs/dbraw/zinc/00/79/85/158007985.db2.gz LVTDAJLLFNEXGI-GOSISDBHSA-N 2 1 333.480 1.213 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000378028813 158060370 /nfs/dbraw/zinc/06/03/70/158060370.db2.gz SNJDGOPJLUYHIN-KRWDZBQOSA-N 2 1 329.460 1.162 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1cncn1C ZINC000378113562 158082006 /nfs/dbraw/zinc/08/20/06/158082006.db2.gz LJPWFNLVWOMHJZ-PBHICJAKSA-N 2 1 342.447 1.525 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000378209537 158109641 /nfs/dbraw/zinc/10/96/41/158109641.db2.gz ZLWOHTLLYLOYDJ-KZNAEPCWSA-N 2 1 330.476 1.219 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000378435127 158173097 /nfs/dbraw/zinc/17/30/97/158173097.db2.gz MTFYWXKQYSKOSJ-GOSISDBHSA-N 2 1 345.487 1.917 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000352341320 162129314 /nfs/dbraw/zinc/12/93/14/162129314.db2.gz WZVZDILEHQUJHL-BBWFWOEESA-N 2 1 340.512 1.203 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000352451797 162188882 /nfs/dbraw/zinc/18/88/82/162188882.db2.gz YLBROMZMTZAQHR-UHFFFAOYSA-N 2 1 349.479 1.449 20 0 EDADMP O=S(=O)(CC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000366431580 162381320 /nfs/dbraw/zinc/38/13/20/162381320.db2.gz LHDUGPRFGVVMAR-MRXNPFEDSA-N 2 1 343.537 1.799 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000356246283 287085541 /nfs/dbraw/zinc/08/55/41/287085541.db2.gz SNJCGKWUDXQSEL-OWCLPIDISA-N 2 1 325.497 1.410 20 0 EDADMP CCN(C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000663553232 452259925 /nfs/dbraw/zinc/25/99/25/452259925.db2.gz MSACVLPGNZIEFK-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000073717213 287263616 /nfs/dbraw/zinc/26/36/16/287263616.db2.gz PGXPOCODVHIHEP-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000074879618 287274189 /nfs/dbraw/zinc/27/41/89/287274189.db2.gz HHMRHZZBXVRELY-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000074879618 287274190 /nfs/dbraw/zinc/27/41/90/287274190.db2.gz HHMRHZZBXVRELY-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418336879 304482582 /nfs/dbraw/zinc/48/25/82/304482582.db2.gz AVYAWTUXLKVMKH-INIZCTEOSA-N 2 1 340.512 1.376 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@](C)(C[NH3+])C3CC3)CC2)cs1 ZINC000237719524 273012225 /nfs/dbraw/zinc/01/22/25/273012225.db2.gz XACLYIKONUFNRN-KRWDZBQOSA-N 2 1 336.505 1.907 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275590253 268364138 /nfs/dbraw/zinc/36/41/38/268364138.db2.gz FRUVGVJSYYEHNC-UHFFFAOYSA-N 2 1 348.491 1.977 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000278981075 268761212 /nfs/dbraw/zinc/76/12/12/268761212.db2.gz OWCLELMYUKLUKL-ZIAGYGMSSA-N 2 1 348.472 1.704 20 0 EDADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278930160 273272985 /nfs/dbraw/zinc/27/29/85/273272985.db2.gz IZTIFHVRGPPMSP-KGLIPLIRSA-N 2 1 348.472 1.704 20 0 EDADMP Cn1c(Cl)cnc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000281578197 273495388 /nfs/dbraw/zinc/49/53/88/273495388.db2.gz DCPRVTXTAWLKPD-UHFFFAOYSA-N 2 1 349.866 1.655 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000359566819 276008085 /nfs/dbraw/zinc/00/80/85/276008085.db2.gz BCPRMLXYKBOWPP-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000359566819 276008086 /nfs/dbraw/zinc/00/80/86/276008086.db2.gz BCPRMLXYKBOWPP-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[C@H]3C[NH3+])c2C1 ZINC000415436672 276014671 /nfs/dbraw/zinc/01/46/71/276014671.db2.gz BRIXUACMYZXIDP-BBRMVZONSA-N 2 1 344.459 1.594 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[C@H]3C[NH3+])c2C1 ZINC000415436672 276014673 /nfs/dbraw/zinc/01/46/73/276014673.db2.gz BRIXUACMYZXIDP-BBRMVZONSA-N 2 1 344.459 1.594 20 0 EDADMP CCC(CC)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378436123 276211383 /nfs/dbraw/zinc/21/13/83/276211383.db2.gz VMKJXNVPFVDIMO-CRAIPNDOSA-N 2 1 338.540 1.780 20 0 EDADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378436123 276211384 /nfs/dbraw/zinc/21/13/84/276211384.db2.gz VMKJXNVPFVDIMO-CRAIPNDOSA-N 2 1 338.540 1.780 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000340831875 276259282 /nfs/dbraw/zinc/25/92/82/276259282.db2.gz ZFZZKMVXNHXCAJ-MRXNPFEDSA-N 2 1 332.448 2.000 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000340831875 276259285 /nfs/dbraw/zinc/25/92/85/276259285.db2.gz ZFZZKMVXNHXCAJ-MRXNPFEDSA-N 2 1 332.448 2.000 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)[NH+](C)C1 ZINC000347676086 277309750 /nfs/dbraw/zinc/30/97/50/277309750.db2.gz XLCMJOKCXPDRIO-BRWVUGGUSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CCC[NH+]2CC(C)C)[N@H+](C)C1 ZINC000347676086 277309752 /nfs/dbraw/zinc/30/97/52/277309752.db2.gz XLCMJOKCXPDRIO-BRWVUGGUSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CCC[NH+]2CC(C)C)[N@@H+](C)C1 ZINC000347676086 277309754 /nfs/dbraw/zinc/30/97/54/277309754.db2.gz XLCMJOKCXPDRIO-BRWVUGGUSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000354563165 277395625 /nfs/dbraw/zinc/39/56/25/277395625.db2.gz XJPOGCDSMUOFFH-IAGOWNOFSA-N 2 1 340.512 1.062 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000354563165 277395626 /nfs/dbraw/zinc/39/56/26/277395626.db2.gz XJPOGCDSMUOFFH-IAGOWNOFSA-N 2 1 340.512 1.062 20 0 EDADMP C[C@@H](CC(N)=O)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000341897061 278224069 /nfs/dbraw/zinc/22/40/69/278224069.db2.gz LSMJGTFZIZJRQS-HNNXBMFYSA-N 2 1 349.475 1.530 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000150732696 278281066 /nfs/dbraw/zinc/28/10/66/278281066.db2.gz FBQAKBLDWFEYLN-PKOBYXMFSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000150732696 278281068 /nfs/dbraw/zinc/28/10/68/278281068.db2.gz FBQAKBLDWFEYLN-PKOBYXMFSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000351789668 279109559 /nfs/dbraw/zinc/10/95/59/279109559.db2.gz MESFMUQUIYSAJL-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)C[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000105104325 279153972 /nfs/dbraw/zinc/15/39/72/279153972.db2.gz KPRAAEFODPOIRH-DOTOQJQBSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000105104325 279153973 /nfs/dbraw/zinc/15/39/73/279153973.db2.gz KPRAAEFODPOIRH-DOTOQJQBSA-N 2 1 340.512 1.515 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417748404 279361367 /nfs/dbraw/zinc/36/13/67/279361367.db2.gz IDLTZWPCTPFMHN-GVDBMIGSSA-N 2 1 339.528 1.029 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCC(F)(F)C[NH3+])CC2)C[C@H](C)O1 ZINC000418525638 288151170 /nfs/dbraw/zinc/15/11/70/288151170.db2.gz PLUHLCFRBUAXOS-BETUJISGSA-N 2 1 348.438 1.111 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NCC(F)(F)C[NH3+])CC2)C[C@H](C)O1 ZINC000418525638 288151174 /nfs/dbraw/zinc/15/11/74/288151174.db2.gz PLUHLCFRBUAXOS-BETUJISGSA-N 2 1 348.438 1.111 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C[C@H](C)O1 ZINC000363834553 288152072 /nfs/dbraw/zinc/15/20/72/288152072.db2.gz WGSUHYKPPNDTOH-JTDSTZFVSA-N 2 1 349.519 1.676 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H]3CCNC(=O)CC3)CC2)C[C@H](C)O1 ZINC000450340075 288153248 /nfs/dbraw/zinc/15/32/48/288153248.db2.gz DJJXLEKURZLPTJ-IXDOHACOSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@H](C)O1 ZINC000333641231 288189229 /nfs/dbraw/zinc/18/92/29/288189229.db2.gz IHHBVMJMQOTRSN-BQJWPVKWSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@H](C)O1 ZINC000333641231 288189230 /nfs/dbraw/zinc/18/92/30/288189230.db2.gz IHHBVMJMQOTRSN-BQJWPVKWSA-N 2 1 338.496 1.410 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N3CC[C@@H]([NH3+])[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000417848267 280544003 /nfs/dbraw/zinc/54/40/03/280544003.db2.gz KJUQIMCKDUXDDB-SWLSCSKDSA-N 2 1 332.452 1.193 20 0 EDADMP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289704625 288763747 /nfs/dbraw/zinc/76/37/47/288763747.db2.gz BNLDZYMLMLROQL-BZSNNMDCSA-N 2 1 345.512 1.844 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)NCc3cccnc3-n3ccnc3)C2)C1 ZINC000291662639 289142274 /nfs/dbraw/zinc/14/22/74/289142274.db2.gz PAGPAQFHWVYHIN-SFHVURJKSA-N 2 1 340.431 1.505 20 0 EDADMP CC(C)[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000291998928 289235872 /nfs/dbraw/zinc/23/58/72/289235872.db2.gz XGOJTYIRHOQQDP-QZTJIDSGSA-N 2 1 333.476 1.905 20 0 EDADMP C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000292147797 289272927 /nfs/dbraw/zinc/27/29/27/289272927.db2.gz JWFVFEBJVZYWKR-MRXNPFEDSA-N 2 1 348.466 1.500 20 0 EDADMP C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000292147797 289272929 /nfs/dbraw/zinc/27/29/29/289272929.db2.gz JWFVFEBJVZYWKR-MRXNPFEDSA-N 2 1 348.466 1.500 20 0 EDADMP CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000184586043 289277324 /nfs/dbraw/zinc/27/73/24/289277324.db2.gz XXCKRXLFPDJCHJ-HKUYNNGSSA-N 2 1 346.519 1.679 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292225543 289293668 /nfs/dbraw/zinc/29/36/68/289293668.db2.gz ZZVJQTBPEVYSHI-SFHVURJKSA-N 2 1 344.503 1.799 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H]3CCO[C@@H]3C)CC2)cc1 ZINC000292302455 289310707 /nfs/dbraw/zinc/31/07/07/289310707.db2.gz MUQWSAKPOQQLDO-IEBWSBKVSA-N 2 1 345.487 1.796 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000420305284 289353262 /nfs/dbraw/zinc/35/32/62/289353262.db2.gz KBCYPWYWECQNOH-CADBVGFASA-N 3 1 344.503 1.465 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000420305284 289353267 /nfs/dbraw/zinc/35/32/67/289353267.db2.gz KBCYPWYWECQNOH-CADBVGFASA-N 3 1 344.503 1.465 20 0 EDADMP COC[C@]1(CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000417866389 293290068 /nfs/dbraw/zinc/29/00/68/293290068.db2.gz CFOZALKZHOMEBX-NVXWUHKLSA-N 2 1 326.485 1.032 20 0 EDADMP [NH3+][C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000237812816 295292875 /nfs/dbraw/zinc/29/28/75/295292875.db2.gz TTWDWLIYBWELMO-QGZVFWFLSA-N 2 1 331.460 1.838 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)[NH+](C)C ZINC000338285602 295402118 /nfs/dbraw/zinc/40/21/18/295402118.db2.gz UCRGDDRNBZLWND-ZBFHGGJFSA-N 2 1 336.480 1.937 20 0 EDADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000418790124 304531289 /nfs/dbraw/zinc/53/12/89/304531289.db2.gz LLXWYSPHRSFKLT-CEXWTWQISA-N 2 1 342.487 1.902 20 0 EDADMP C[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+](C2CC2)C1 ZINC000295464537 303223440 /nfs/dbraw/zinc/22/34/40/303223440.db2.gz XUAAAHBIVQWEKM-CQSZACIVSA-N 2 1 325.416 1.824 20 0 EDADMP C[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@H+](C2CC2)C1 ZINC000295464537 303223442 /nfs/dbraw/zinc/22/34/42/303223442.db2.gz XUAAAHBIVQWEKM-CQSZACIVSA-N 2 1 325.416 1.824 20 0 EDADMP Cc1ccc2nc(CNC(=O)N[C@H]3CCC[N@@H+](CCCO)C3)cn2c1 ZINC000297316236 303385091 /nfs/dbraw/zinc/38/50/91/303385091.db2.gz IPWHCPAXGUNQQX-HNNXBMFYSA-N 2 1 345.447 1.289 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000414869576 447335658 /nfs/dbraw/zinc/33/56/58/447335658.db2.gz RKLRXDJABRADJZ-SLFFLAALSA-N 3 1 328.504 1.392 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000414876125 447339115 /nfs/dbraw/zinc/33/91/15/447339115.db2.gz KAUBVCNAAKJPLP-UHFFFAOYSA-N 2 1 332.448 1.335 20 0 EDADMP C[N@@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)C1CCCC1 ZINC000414880589 447340896 /nfs/dbraw/zinc/34/08/96/447340896.db2.gz QLZZONGMYZYZJI-UHFFFAOYSA-N 2 1 344.459 1.261 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000424017006 304925399 /nfs/dbraw/zinc/92/53/99/304925399.db2.gz FFYZFLVRBNVINT-WMZOPIPTSA-N 2 1 344.503 1.484 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000428985438 305021717 /nfs/dbraw/zinc/02/17/17/305021717.db2.gz VDVVSVMGTDVOPP-JJTUDDRGSA-N 2 1 325.497 1.625 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000428985438 305021718 /nfs/dbraw/zinc/02/17/18/305021718.db2.gz VDVVSVMGTDVOPP-JJTUDDRGSA-N 2 1 325.497 1.625 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000429684287 305034940 /nfs/dbraw/zinc/03/49/40/305034940.db2.gz MHLFMQCAJRNQRS-LSDHHAIUSA-N 2 1 337.430 1.790 20 0 EDADMP CCC[N@H+](CC(N)=O)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000430131734 305046033 /nfs/dbraw/zinc/04/60/33/305046033.db2.gz MMJQFRKJCAIYSF-UHFFFAOYSA-N 2 1 332.492 1.916 20 0 EDADMP CCC[N@@H+](CC(N)=O)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000430131734 305046034 /nfs/dbraw/zinc/04/60/34/305046034.db2.gz MMJQFRKJCAIYSF-UHFFFAOYSA-N 2 1 332.492 1.916 20 0 EDADMP COc1ccc(CC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430609386 305058502 /nfs/dbraw/zinc/05/85/02/305058502.db2.gz HMGLTKDXSBHMSE-KRWDZBQOSA-N 2 1 331.460 1.382 20 0 EDADMP CCC[N@H+](CC(=O)NCCc1ccccc1OC)C1CC[NH2+]CC1 ZINC000431077194 305074410 /nfs/dbraw/zinc/07/44/10/305074410.db2.gz NLOQJWAFGLZVMC-UHFFFAOYSA-N 2 1 333.476 1.818 20 0 EDADMP CCC[N@@H+](CC(=O)NCCc1ccccc1OC)C1CC[NH2+]CC1 ZINC000431077194 305074411 /nfs/dbraw/zinc/07/44/11/305074411.db2.gz NLOQJWAFGLZVMC-UHFFFAOYSA-N 2 1 333.476 1.818 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC[NH+]1CCCCC1 ZINC000431595615 305080171 /nfs/dbraw/zinc/08/01/71/305080171.db2.gz KUNVAXHOLYISRI-UHFFFAOYSA-N 2 1 344.463 1.828 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@@H](O)Cc1ccccc1 ZINC000433070354 305099787 /nfs/dbraw/zinc/09/97/87/305099787.db2.gz XOLCCVJCMXZFDB-IBGZPJMESA-N 2 1 345.487 1.265 20 0 EDADMP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@@H](O)Cc1ccccc1 ZINC000433070354 305099788 /nfs/dbraw/zinc/09/97/88/305099788.db2.gz XOLCCVJCMXZFDB-IBGZPJMESA-N 2 1 345.487 1.265 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433125296 305101095 /nfs/dbraw/zinc/10/10/95/305101095.db2.gz JCIHKWRBCHCCPI-INIZCTEOSA-N 3 1 338.540 1.816 20 0 EDADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433125296 305101096 /nfs/dbraw/zinc/10/10/96/305101096.db2.gz JCIHKWRBCHCCPI-INIZCTEOSA-N 2 1 338.540 1.816 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433125296 305101097 /nfs/dbraw/zinc/10/10/97/305101097.db2.gz JCIHKWRBCHCCPI-INIZCTEOSA-N 2 1 338.540 1.816 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433927485 305114768 /nfs/dbraw/zinc/11/47/68/305114768.db2.gz SBAFIFPROFEVAR-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433927485 305114769 /nfs/dbraw/zinc/11/47/69/305114769.db2.gz SBAFIFPROFEVAR-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433927485 305114770 /nfs/dbraw/zinc/11/47/70/305114770.db2.gz SBAFIFPROFEVAR-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000435876924 305148835 /nfs/dbraw/zinc/14/88/35/305148835.db2.gz LSIKXXGPKWVEDC-INIZCTEOSA-N 2 1 339.505 1.595 20 0 EDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000435876924 305148836 /nfs/dbraw/zinc/14/88/36/305148836.db2.gz LSIKXXGPKWVEDC-INIZCTEOSA-N 2 1 339.505 1.595 20 0 EDADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(CC(=O)OCC)c2C)C1 ZINC000438220551 305183393 /nfs/dbraw/zinc/18/33/93/305183393.db2.gz SSULIWQKONISAE-INIZCTEOSA-N 2 1 336.480 1.885 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(CC(=O)OCC)c2C)C1 ZINC000438220551 305183394 /nfs/dbraw/zinc/18/33/94/305183394.db2.gz SSULIWQKONISAE-INIZCTEOSA-N 2 1 336.480 1.885 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000441236288 305219306 /nfs/dbraw/zinc/21/93/06/305219306.db2.gz ZDPXIIJUQXSOSW-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000441236288 305219307 /nfs/dbraw/zinc/21/93/07/305219307.db2.gz ZDPXIIJUQXSOSW-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441236288 305219308 /nfs/dbraw/zinc/21/93/08/305219308.db2.gz ZDPXIIJUQXSOSW-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000449263717 305310301 /nfs/dbraw/zinc/31/03/01/305310301.db2.gz JDXFOXITMKZNOJ-ZOBORPQBSA-N 2 1 339.484 1.801 20 0 EDADMP CO[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000451577631 305354767 /nfs/dbraw/zinc/35/47/67/305354767.db2.gz VQUZTNBNEQTYCG-CGTJXYLNSA-N 2 1 333.476 1.762 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@H+](C)Cc1ccccc1 ZINC000452366575 305393211 /nfs/dbraw/zinc/39/32/11/305393211.db2.gz OSRREKUZTFCRMV-AEFFLSMTSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@@H+](C)Cc1ccccc1 ZINC000452366575 305393212 /nfs/dbraw/zinc/39/32/12/305393212.db2.gz OSRREKUZTFCRMV-AEFFLSMTSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+](C)Cc1ccccc1 ZINC000452366575 305393213 /nfs/dbraw/zinc/39/32/13/305393213.db2.gz OSRREKUZTFCRMV-AEFFLSMTSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+](C)Cc1ccccc1 ZINC000452366575 305393214 /nfs/dbraw/zinc/39/32/14/305393214.db2.gz OSRREKUZTFCRMV-AEFFLSMTSA-N 2 1 333.476 1.470 20 0 EDADMP Cc1cccc(C(=O)NCC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425895459 447353533 /nfs/dbraw/zinc/35/35/33/447353533.db2.gz ISADSQRDXOYALH-UHFFFAOYSA-N 2 1 342.443 1.970 20 0 EDADMP C[C@H]1C[N@@H+](CCCNCc2cc(C3CC[NH2+]CC3)no2)CCCO1 ZINC000425897294 447353884 /nfs/dbraw/zinc/35/38/84/447353884.db2.gz STHDISSCUMZZAT-HNNXBMFYSA-N 2 1 336.480 1.732 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000414908152 447352431 /nfs/dbraw/zinc/35/24/31/447352431.db2.gz BBZHDPJTGONFIL-QGZVFWFLSA-N 2 1 346.475 1.677 20 0 EDADMP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000377789916 447357599 /nfs/dbraw/zinc/35/75/99/447357599.db2.gz YGNYPHIVWLRTDX-HZPDHXFCSA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000515187097 305716638 /nfs/dbraw/zinc/71/66/38/305716638.db2.gz CZJSIZNRJBYWPP-UHFFFAOYSA-N 2 1 332.492 1.944 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000516167744 305734529 /nfs/dbraw/zinc/73/45/29/305734529.db2.gz USUHKWPIKRXVCN-HNNXBMFYSA-N 2 1 332.448 1.942 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000414943204 447365582 /nfs/dbraw/zinc/36/55/82/447365582.db2.gz NNRXYKUJQIUFSX-HIFRSBDPSA-N 2 1 344.459 1.476 20 0 EDADMP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)C[C@@H](C)O1 ZINC000425955322 447366171 /nfs/dbraw/zinc/36/61/71/447366171.db2.gz YZMDTAHZSXXVKY-GPMSIDNRSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)OC1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000531164345 305954182 /nfs/dbraw/zinc/95/41/82/305954182.db2.gz AHILMIWXFSZACU-UHFFFAOYSA-N 2 1 325.497 1.865 20 0 EDADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC000551897187 306166443 /nfs/dbraw/zinc/16/64/43/306166443.db2.gz ZIHANEVJNLFAIN-MSOLQXFVSA-N 2 1 349.523 1.869 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1)C(C)C ZINC000552155314 306176373 /nfs/dbraw/zinc/17/63/73/306176373.db2.gz PTQGRHDCXSZRLB-ROUUACIJSA-N 2 1 333.476 1.664 20 0 EDADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)[C@H]3CC[N@H+](C)C3)n2)c1C ZINC000556758260 306216134 /nfs/dbraw/zinc/21/61/34/306216134.db2.gz DCZQRURXAAHHBY-ZDUSSCGKSA-N 2 1 344.419 1.237 20 0 EDADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)[C@H]3CC[N@@H+](C)C3)n2)c1C ZINC000556758260 306216135 /nfs/dbraw/zinc/21/61/35/306216135.db2.gz DCZQRURXAAHHBY-ZDUSSCGKSA-N 2 1 344.419 1.237 20 0 EDADMP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1CC[NH+](C)C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556966590 306222120 /nfs/dbraw/zinc/22/21/20/306222120.db2.gz RELXSOYOQNOZHG-IGKNDFSCSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1CC[NH+](C)C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556966590 306222121 /nfs/dbraw/zinc/22/21/21/306222121.db2.gz RELXSOYOQNOZHG-IGKNDFSCSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556966590 306222122 /nfs/dbraw/zinc/22/21/22/306222122.db2.gz RELXSOYOQNOZHG-IGKNDFSCSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556966590 306222123 /nfs/dbraw/zinc/22/21/23/306222123.db2.gz RELXSOYOQNOZHG-IGKNDFSCSA-N 2 1 337.508 1.815 20 0 EDADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000557232977 306227008 /nfs/dbraw/zinc/22/70/08/306227008.db2.gz MXTVFWZBXJMUHS-TTZDDIAXSA-N 2 1 349.504 1.133 20 0 EDADMP CC[NH2+]CCCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000557250844 306227184 /nfs/dbraw/zinc/22/71/84/306227184.db2.gz JGIVBYNSTBMEMN-HNNXBMFYSA-N 2 1 340.512 1.119 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1)CCC(F)(F)F ZINC000425981748 447373069 /nfs/dbraw/zinc/37/30/69/447373069.db2.gz OGKWLWBRDLZGEC-STQMWFEESA-N 2 1 338.418 1.852 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)[C@@H](C)C1 ZINC000426036823 447382208 /nfs/dbraw/zinc/38/22/08/447382208.db2.gz PRWZCEFYMBLDBU-GOEBONIOSA-N 2 1 345.553 1.899 20 0 EDADMP COc1c(O)cccc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414987444 447387043 /nfs/dbraw/zinc/38/70/43/447387043.db2.gz OIAYIUFJNPSSIU-ZDUSSCGKSA-N 2 1 333.354 1.327 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNc1cc(NC[C@@H]2CCC[N@@H+]2CC)ncn1 ZINC000450219843 447435058 /nfs/dbraw/zinc/43/50/58/447435058.db2.gz XFSZSYFNQDMTAH-IYBDPMFKSA-N 2 1 332.496 2.269 20 0 EDADMP CC[NH+]1CCC[C@H]1CNc1cc(NC[C@H]2CCC[N@@H+]2CC)ncn1 ZINC000450219843 447435063 /nfs/dbraw/zinc/43/50/63/447435063.db2.gz XFSZSYFNQDMTAH-IYBDPMFKSA-N 2 1 332.496 2.269 20 0 EDADMP CC[NH+]1CCC[C@H]1CNc1cc(NC[C@H]2CCC[N@H+]2CC)ncn1 ZINC000450219843 447435068 /nfs/dbraw/zinc/43/50/68/447435068.db2.gz XFSZSYFNQDMTAH-IYBDPMFKSA-N 2 1 332.496 2.269 20 0 EDADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000070188559 441110961 /nfs/dbraw/zinc/11/09/61/441110961.db2.gz KZDUTBLQYPENFL-UHFFFAOYSA-N 2 1 341.253 1.843 20 0 EDADMP COc1cccc([C@@H](CNC(=O)N2CC[NH+](C3CC3)CC2)[NH+](C)C)c1 ZINC000105083174 441231025 /nfs/dbraw/zinc/23/10/25/441231025.db2.gz FIINBTBRRYMNMQ-GOSISDBHSA-N 2 1 346.475 1.788 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCc2ccccc2OC)CC1 ZINC000104710335 441200481 /nfs/dbraw/zinc/20/04/81/441200481.db2.gz QEECIAQFXXRUGO-UHFFFAOYSA-N 2 1 333.476 1.770 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccccc2OC)CC1 ZINC000104710335 441200484 /nfs/dbraw/zinc/20/04/84/441200484.db2.gz QEECIAQFXXRUGO-UHFFFAOYSA-N 2 1 333.476 1.770 20 0 EDADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000081443652 441269880 /nfs/dbraw/zinc/26/98/80/441269880.db2.gz FZBPJNYKXUFQPU-APWZRJJASA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000081443652 441269884 /nfs/dbraw/zinc/26/98/84/441269884.db2.gz FZBPJNYKXUFQPU-APWZRJJASA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876114 441303526 /nfs/dbraw/zinc/30/35/26/441303526.db2.gz TUTZIEMSRNWGTP-LBPRGKRZSA-N 2 1 333.436 1.051 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1(O)CCCC1 ZINC000073243148 441304276 /nfs/dbraw/zinc/30/42/76/441304276.db2.gz OVQLSTFGWZABIH-INIZCTEOSA-N 2 1 325.497 1.556 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000063744209 441348679 /nfs/dbraw/zinc/34/86/79/441348679.db2.gz CZBSPFJSYRGRPY-UHFFFAOYSA-N 2 1 347.503 1.983 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000073749356 441350138 /nfs/dbraw/zinc/35/01/38/441350138.db2.gz QGFBNLSNXKJNBM-YESZJQIVSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000074200732 441407593 /nfs/dbraw/zinc/40/75/93/441407593.db2.gz UYXDOSVGTMCOSH-SFHVURJKSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C1CC1 ZINC000074200732 441407597 /nfs/dbraw/zinc/40/75/97/441407597.db2.gz UYXDOSVGTMCOSH-SFHVURJKSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C1CC1 ZINC000074200732 441407599 /nfs/dbraw/zinc/40/75/99/441407599.db2.gz UYXDOSVGTMCOSH-SFHVURJKSA-N 2 1 330.476 1.997 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000052365026 441448540 /nfs/dbraw/zinc/44/85/40/441448540.db2.gz LHHFEKLMKXKPSU-UHFFFAOYSA-N 2 1 329.404 1.008 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3C)C2)CC1 ZINC000107369558 441413300 /nfs/dbraw/zinc/41/33/00/441413300.db2.gz PTTYHKNVRKNQLC-OALUTQOASA-N 2 1 347.503 1.447 20 0 EDADMP C[C@@H](CCNC(=O)NC[C@H]1CCCC[N@H+]1CCO)[NH+]1CCCCC1 ZINC000458655478 447440410 /nfs/dbraw/zinc/44/04/10/447440410.db2.gz PFOMEUVQIWOXPO-DLBZAZTESA-N 2 1 340.512 1.397 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000108344748 441447573 /nfs/dbraw/zinc/44/75/73/441447573.db2.gz RWDDCVGEWFOXEG-NCOADZHNSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000108344748 441447574 /nfs/dbraw/zinc/44/75/74/441447574.db2.gz RWDDCVGEWFOXEG-NCOADZHNSA-N 2 1 325.497 1.578 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000109172771 441491338 /nfs/dbraw/zinc/49/13/38/441491338.db2.gz UNRKEBDCPYLIFX-CVEARBPZSA-N 2 1 328.501 1.109 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000052552967 441458955 /nfs/dbraw/zinc/45/89/55/441458955.db2.gz BTBRTFFXUNKJMF-QGZVFWFLSA-N 2 1 331.464 1.439 20 0 EDADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000111606864 441538274 /nfs/dbraw/zinc/53/82/74/441538274.db2.gz QWOKJSUZSAGJOV-MRXNPFEDSA-N 2 1 332.492 1.479 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)CN2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000109960090 441512039 /nfs/dbraw/zinc/51/20/39/441512039.db2.gz VBEUYKHWZCUEAR-LJQANCHMSA-N 2 1 344.503 1.496 20 0 EDADMP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000112917360 441566924 /nfs/dbraw/zinc/56/69/24/441566924.db2.gz KNJHGVRTQIYVMG-WMZOPIPTSA-N 2 1 332.492 1.432 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066917269 441586061 /nfs/dbraw/zinc/58/60/61/441586061.db2.gz HVCOPXZVUSKAIS-BBWFWOEESA-N 2 1 343.512 1.205 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066917269 441586064 /nfs/dbraw/zinc/58/60/64/441586064.db2.gz HVCOPXZVUSKAIS-BBWFWOEESA-N 2 1 343.512 1.205 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066917269 441586065 /nfs/dbraw/zinc/58/60/65/441586065.db2.gz HVCOPXZVUSKAIS-BBWFWOEESA-N 2 1 343.512 1.205 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066917269 441586066 /nfs/dbraw/zinc/58/60/66/441586066.db2.gz HVCOPXZVUSKAIS-BBWFWOEESA-N 2 1 343.512 1.205 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCC(=O)OC)CC1 ZINC000114475603 441662338 /nfs/dbraw/zinc/66/23/38/441662338.db2.gz DBWNONRPSFWYQH-CQSZACIVSA-N 2 1 327.469 1.108 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCC[N@H+](C2CC2)CC1)N1CCOCC1 ZINC000173336492 441717546 /nfs/dbraw/zinc/71/75/46/441717546.db2.gz KEQDAJFYBKCDLZ-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000137223497 441757353 /nfs/dbraw/zinc/75/73/53/441757353.db2.gz HZDRUSHFRAJKFR-HOCLYGCPSA-N 2 1 334.464 1.434 20 0 EDADMP CC[C@@H](C)[C@H](NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C(=O)OC ZINC000158877970 441770224 /nfs/dbraw/zinc/77/02/24/441770224.db2.gz RIUHCWWVZDHBBO-ANQUJSFKSA-N 2 1 339.480 1.106 20 0 EDADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000121530862 441725441 /nfs/dbraw/zinc/72/54/41/441725441.db2.gz VSRLMVNUWPRBMS-ZDUSSCGKSA-N 2 1 325.478 1.859 20 0 EDADMP CC[NH+]1CCN(c2ccc(CNc3cc[nH+]c(N(C)C)n3)cn2)CC1 ZINC000077190641 441729806 /nfs/dbraw/zinc/72/98/06/441729806.db2.gz MSKMGTSLYQHFJG-UHFFFAOYSA-N 2 1 341.463 1.692 20 0 EDADMP COCC[NH+]1CCC(N[C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000173645052 441813641 /nfs/dbraw/zinc/81/36/41/441813641.db2.gz TWWVHFLEKTZLEQ-AWEZNQCLSA-N 2 1 339.505 1.496 20 0 EDADMP COCCN1CCC([NH2+][C@@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000173644427 441813891 /nfs/dbraw/zinc/81/38/91/441813891.db2.gz IHXLSSOPLVUWAR-LBPRGKRZSA-N 2 1 340.855 1.762 20 0 EDADMP COc1cccc([C@H](CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)[NH+](C)C)c1 ZINC000121930803 441814768 /nfs/dbraw/zinc/81/47/68/441814768.db2.gz XYDQCBGDZKKUDV-QAPCUYQASA-N 2 1 348.491 1.050 20 0 EDADMP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000122955891 441870077 /nfs/dbraw/zinc/87/00/77/441870077.db2.gz HEMGMAKCBYIHBB-SQWLQELKSA-N 2 1 331.526 1.509 20 0 EDADMP CNC(=O)NC(=O)[C@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173975324 441871503 /nfs/dbraw/zinc/87/15/03/441871503.db2.gz SDNYGAANYRULES-HOCLYGCPSA-N 2 1 332.448 1.284 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)[NH+]1CCOCC1 ZINC000078501243 441938299 /nfs/dbraw/zinc/93/82/99/441938299.db2.gz SWZKSKVVRKBOAA-INIZCTEOSA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccnc(C2CC2)n1 ZINC000069700123 442013753 /nfs/dbraw/zinc/01/37/53/442013753.db2.gz NIWCREYLTBWIFR-INIZCTEOSA-N 2 1 345.491 1.842 20 0 EDADMP CC[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000125620581 442036799 /nfs/dbraw/zinc/03/67/99/442036799.db2.gz QAYZMCKUZYZXMM-KRWDZBQOSA-N 2 1 345.487 1.867 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000161901330 442042118 /nfs/dbraw/zinc/04/21/18/442042118.db2.gz RCYXSZCCQHXKSQ-GOEBONIOSA-N 2 1 325.478 1.203 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)CC[N@H+]1C ZINC000126135364 442082725 /nfs/dbraw/zinc/08/27/25/442082725.db2.gz HIHZBTSMIPZOTH-YJBOKZPZSA-N 2 1 345.487 1.959 20 0 EDADMP C[C@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)[N@@H+](C)C1CC1 ZINC000175732981 442113987 /nfs/dbraw/zinc/11/39/87/442113987.db2.gz SWGJXVJCAPNLRD-OAHLLOKOSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000151739569 442114513 /nfs/dbraw/zinc/11/45/13/442114513.db2.gz GEVDIICSOIDEFJ-UHFFFAOYSA-N 2 1 332.492 1.552 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000175761010 442117022 /nfs/dbraw/zinc/11/70/22/442117022.db2.gz GUKXFXXLOUQTPL-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000175761010 442117026 /nfs/dbraw/zinc/11/70/26/442117026.db2.gz GUKXFXXLOUQTPL-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000126782955 442143422 /nfs/dbraw/zinc/14/34/22/442143422.db2.gz INOGWCLZJSVCTD-QZTJIDSGSA-N 2 1 331.460 1.731 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000126782955 442143423 /nfs/dbraw/zinc/14/34/23/442143423.db2.gz INOGWCLZJSVCTD-QZTJIDSGSA-N 2 1 331.460 1.731 20 0 EDADMP O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccnc(-n2ccnc2)c1 ZINC000127007433 442161682 /nfs/dbraw/zinc/16/16/82/442161682.db2.gz HYRYQLGTQDOVTO-CVEARBPZSA-N 2 1 341.415 1.250 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccnc(-n2ccnc2)c1 ZINC000127007433 442161684 /nfs/dbraw/zinc/16/16/84/442161684.db2.gz HYRYQLGTQDOVTO-CVEARBPZSA-N 2 1 341.415 1.250 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCS1 ZINC000127009071 442161702 /nfs/dbraw/zinc/16/17/02/442161702.db2.gz CEBVGICBLBZXHB-HOTGVXAUSA-N 2 1 342.553 1.940 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000176344013 442212330 /nfs/dbraw/zinc/21/23/30/442212330.db2.gz BBDMLQSBYAMMGQ-MRXNPFEDSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CCCC[NH2+]3)c2)CCO1 ZINC000166122106 442214317 /nfs/dbraw/zinc/21/43/17/442214317.db2.gz DXQCWSLXNAFUON-YJBOKZPZSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CCCC[NH2+]3)c2)CCO1 ZINC000166122106 442214319 /nfs/dbraw/zinc/21/43/19/442214319.db2.gz DXQCWSLXNAFUON-YJBOKZPZSA-N 2 1 331.460 1.666 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000167699378 442222408 /nfs/dbraw/zinc/22/24/08/442222408.db2.gz NISOLYYGLHGTJN-LJQANCHMSA-N 2 1 344.503 1.262 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CSCN3)c2)C[C@H](C)O1 ZINC000169195455 442226188 /nfs/dbraw/zinc/22/61/88/442226188.db2.gz SRADQLJUZWQSNH-HEHGZKQESA-N 2 1 335.473 1.897 20 0 EDADMP C[C@H]1C[C@H](NC(=O)c2ccccc2OCC[NH+](C)C)C[N@H+]1C1CC1 ZINC000177096458 442296156 /nfs/dbraw/zinc/29/61/56/442296156.db2.gz AVWWXKAZWAEXSX-GJZGRUSLSA-N 2 1 331.460 1.982 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000171200907 442327143 /nfs/dbraw/zinc/32/71/43/442327143.db2.gz USRCNEDCDWQBEA-IYBDPMFKSA-N 2 1 342.528 1.620 20 0 EDADMP COCC[NH+](C)CCNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000171200907 442327145 /nfs/dbraw/zinc/32/71/45/442327145.db2.gz USRCNEDCDWQBEA-IYBDPMFKSA-N 2 1 342.528 1.620 20 0 EDADMP COCC[NH+](C)CCNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000171200907 442327147 /nfs/dbraw/zinc/32/71/47/442327147.db2.gz USRCNEDCDWQBEA-IYBDPMFKSA-N 2 1 342.528 1.620 20 0 EDADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154241682 442328571 /nfs/dbraw/zinc/32/85/71/442328571.db2.gz HWWMZUUBRKIZLZ-XJKSGUPXSA-N 2 1 341.883 1.589 20 0 EDADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154341544 442334026 /nfs/dbraw/zinc/33/40/26/442334026.db2.gz ZVRPGACGJBOYQU-UKRRQHHQSA-N 2 1 341.883 1.589 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)N2CCOCC2)[C@H](C)C1 ZINC000155318676 442387326 /nfs/dbraw/zinc/38/73/26/442387326.db2.gz ZPTXYWQWLKSABF-QZTJIDSGSA-N 2 1 341.540 1.824 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000132239149 442389690 /nfs/dbraw/zinc/38/96/90/442389690.db2.gz UPSHLDMPCNYZIV-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC000177971446 442398351 /nfs/dbraw/zinc/39/83/51/442398351.db2.gz NDWUBFLRBVKRAS-AEFFLSMTSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000131032854 442363309 /nfs/dbraw/zinc/36/33/09/442363309.db2.gz WCLHYGBJZIOFBL-MRXNPFEDSA-N 2 1 347.528 1.988 20 0 EDADMP C[C@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000131032854 442363312 /nfs/dbraw/zinc/36/33/12/442363312.db2.gz WCLHYGBJZIOFBL-MRXNPFEDSA-N 2 1 347.528 1.988 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H]([NH2+]C)C3)cc2F)CC1 ZINC000133567994 442424474 /nfs/dbraw/zinc/42/44/74/442424474.db2.gz UQWVSBHRTFXBJQ-INIZCTEOSA-N 2 1 348.466 1.792 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000155779371 442426674 /nfs/dbraw/zinc/42/66/74/442426674.db2.gz NCUCQQLDLOMKOK-LPHOPBHVSA-N 2 1 346.519 1.814 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)CCCCN2CCOCC2)C1 ZINC000178644990 442451289 /nfs/dbraw/zinc/45/12/89/442451289.db2.gz FGSJXSGAZHZFJX-GOSISDBHSA-N 2 1 339.524 1.973 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000178644990 442451292 /nfs/dbraw/zinc/45/12/92/442451292.db2.gz FGSJXSGAZHZFJX-GOSISDBHSA-N 2 1 339.524 1.973 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000178644990 442451294 /nfs/dbraw/zinc/45/12/94/442451294.db2.gz FGSJXSGAZHZFJX-GOSISDBHSA-N 2 1 339.524 1.973 20 0 EDADMP C[N@@H+](CCN1CC[NH+](CC2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000178980398 442544020 /nfs/dbraw/zinc/54/40/20/442544020.db2.gz GIAZMTGMQNLARX-UHFFFAOYSA-N 3 1 330.520 1.736 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000172810588 442547323 /nfs/dbraw/zinc/54/73/23/442547323.db2.gz KDUSHAGPWAXRTK-UHFFFAOYSA-N 2 1 333.480 1.050 20 0 EDADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)NC(=O)NCc2ccccc2)CC[N@@H+]1C ZINC000172847135 442554322 /nfs/dbraw/zinc/55/43/22/442554322.db2.gz UZEYUCBTDHCMHT-DOTOQJQBSA-N 2 1 346.475 1.817 20 0 EDADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)NC(=O)NCc2ccccc2)CC[N@H+]1C ZINC000172847135 442554327 /nfs/dbraw/zinc/55/43/27/442554327.db2.gz UZEYUCBTDHCMHT-DOTOQJQBSA-N 2 1 346.475 1.817 20 0 EDADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)NC(=O)NCc2ccccc2)CC[NH+]1C ZINC000172847135 442554331 /nfs/dbraw/zinc/55/43/31/442554331.db2.gz UZEYUCBTDHCMHT-DOTOQJQBSA-N 2 1 346.475 1.817 20 0 EDADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)NC(=O)NCc2ccccc2)CC[NH+]1C ZINC000172847135 442554336 /nfs/dbraw/zinc/55/43/36/442554336.db2.gz UZEYUCBTDHCMHT-DOTOQJQBSA-N 2 1 346.475 1.817 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2=O)cc1 ZINC000180441961 442603489 /nfs/dbraw/zinc/60/34/89/442603489.db2.gz GYOLWCGYFDITBI-KDOFPFPSSA-N 2 1 342.443 1.815 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000157207284 442561096 /nfs/dbraw/zinc/56/10/96/442561096.db2.gz RPAQQBAIUBHRQK-SJORKVTESA-N 2 1 340.512 1.376 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000173270763 442637655 /nfs/dbraw/zinc/63/76/55/442637655.db2.gz YAHIKJOIUQZRPH-UHFFFAOYSA-N 2 1 326.485 1.130 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCn2c(C)csc2=O)[C@H](C)C1 ZINC000187016269 442646065 /nfs/dbraw/zinc/64/60/65/442646065.db2.gz LRXVRRMFMAYHDI-ZBFHGGJFSA-N 2 1 341.521 1.945 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@H+]1C ZINC000179293523 442614413 /nfs/dbraw/zinc/61/44/13/442614413.db2.gz SFJZWIHWVVBYGK-RDJZCZTQSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1CN(c2ccc(CNC(=O)c3coc(CN)c3)cn2)CCO1 ZINC000188064226 442706948 /nfs/dbraw/zinc/70/69/48/442706948.db2.gz WDUAGPYZRRLIMD-GFCCVEGCSA-N 2 1 330.388 1.288 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182596809 442792514 /nfs/dbraw/zinc/79/25/14/442792514.db2.gz WAFUGNLRFVHLBK-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182596809 442792520 /nfs/dbraw/zinc/79/25/20/442792520.db2.gz WAFUGNLRFVHLBK-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182596809 442792526 /nfs/dbraw/zinc/79/25/26/442792526.db2.gz WAFUGNLRFVHLBK-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000246433349 442781146 /nfs/dbraw/zinc/78/11/46/442781146.db2.gz TVPSCMKXVQCJHU-BBWFWOEESA-N 2 1 342.528 1.620 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246433349 442781147 /nfs/dbraw/zinc/78/11/47/442781147.db2.gz TVPSCMKXVQCJHU-BBWFWOEESA-N 2 1 342.528 1.620 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246433349 442781148 /nfs/dbraw/zinc/78/11/48/442781148.db2.gz TVPSCMKXVQCJHU-BBWFWOEESA-N 2 1 342.528 1.620 20 0 EDADMP C[C@H](O)C[C@@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246744327 442809977 /nfs/dbraw/zinc/80/99/77/442809977.db2.gz PSQHBJQSNHJNBY-XSLAGTTESA-N 2 1 328.497 1.474 20 0 EDADMP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000268080589 442839610 /nfs/dbraw/zinc/83/96/10/442839610.db2.gz DBFVHWTXPNXMMO-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000268080589 442839615 /nfs/dbraw/zinc/83/96/15/442839615.db2.gz DBFVHWTXPNXMMO-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)/C=C/C[NH+](C)C)c2)CCO1 ZINC000265616511 442846743 /nfs/dbraw/zinc/84/67/43/442846743.db2.gz GLCUSBLJTJFWLF-WHWKNOJMSA-N 2 1 331.460 1.641 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000268143995 442868730 /nfs/dbraw/zinc/86/87/30/442868730.db2.gz DVYYUFOCMUVDBW-LZQZEXGQSA-N 2 1 343.471 1.486 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000268143995 442868732 /nfs/dbraw/zinc/86/87/32/442868732.db2.gz DVYYUFOCMUVDBW-LZQZEXGQSA-N 2 1 343.471 1.486 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000268143995 442868733 /nfs/dbraw/zinc/86/87/33/442868733.db2.gz DVYYUFOCMUVDBW-LZQZEXGQSA-N 2 1 343.471 1.486 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000268143995 442868735 /nfs/dbraw/zinc/86/87/35/442868735.db2.gz DVYYUFOCMUVDBW-LZQZEXGQSA-N 2 1 343.471 1.486 20 0 EDADMP CC(=O)c1ccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000265663628 442869473 /nfs/dbraw/zinc/86/94/73/442869473.db2.gz XSYICVPXVCAGOH-UHFFFAOYSA-N 2 1 331.460 1.987 20 0 EDADMP CC(=O)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000265663628 442869475 /nfs/dbraw/zinc/86/94/75/442869475.db2.gz XSYICVPXVCAGOH-UHFFFAOYSA-N 2 1 331.460 1.987 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)C[C@@H]12 ZINC000248590402 442903209 /nfs/dbraw/zinc/90/32/09/442903209.db2.gz GYXVGLDTMMMJCZ-VDHUWJSZSA-N 2 1 331.435 1.986 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)C[C@@H]12 ZINC000248590402 442903213 /nfs/dbraw/zinc/90/32/13/442903213.db2.gz GYXVGLDTMMMJCZ-VDHUWJSZSA-N 2 1 331.435 1.986 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248620199 442908877 /nfs/dbraw/zinc/90/88/77/442908877.db2.gz ZZFRILUEBGAUMQ-LZLYRXPVSA-N 2 1 340.508 1.786 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000268255448 442919813 /nfs/dbraw/zinc/91/98/13/442919813.db2.gz XXKMDSAFELVDOB-YOEHRIQHSA-N 2 1 331.460 1.840 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000248737289 442922049 /nfs/dbraw/zinc/92/20/49/442922049.db2.gz CMKHQUXIFKDRBX-HZPDHXFCSA-N 2 1 336.480 1.841 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000248737289 442922052 /nfs/dbraw/zinc/92/20/52/442922052.db2.gz CMKHQUXIFKDRBX-HZPDHXFCSA-N 2 1 336.480 1.841 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189439104 442954158 /nfs/dbraw/zinc/95/41/58/442954158.db2.gz MOAORAHDEKNSQO-UHFFFAOYSA-N 2 1 335.448 1.079 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000189439104 442954160 /nfs/dbraw/zinc/95/41/60/442954160.db2.gz MOAORAHDEKNSQO-UHFFFAOYSA-N 2 1 335.448 1.079 20 0 EDADMP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000192097091 318577217 /nfs/dbraw/zinc/57/72/17/318577217.db2.gz ZSWPFCWIZXKAMZ-HNNXBMFYSA-N 2 1 341.496 1.497 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000249325085 442967165 /nfs/dbraw/zinc/96/71/65/442967165.db2.gz SOSIUSCQTAETRI-NVXWUHKLSA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000249325085 442967170 /nfs/dbraw/zinc/96/71/70/442967170.db2.gz SOSIUSCQTAETRI-NVXWUHKLSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000195321459 443009972 /nfs/dbraw/zinc/00/99/72/443009972.db2.gz APSQGUFJRKHYGJ-HUUCEWRRSA-N 2 1 337.508 1.865 20 0 EDADMP COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCC(=O)N(C)C ZINC000268805855 443113504 /nfs/dbraw/zinc/11/35/04/443113504.db2.gz HKOXQIOKBVQUBK-GOEBONIOSA-N 2 1 349.475 1.735 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)ccc1OCC(=O)N(C)C ZINC000268805855 443113508 /nfs/dbraw/zinc/11/35/08/443113508.db2.gz HKOXQIOKBVQUBK-GOEBONIOSA-N 2 1 349.475 1.735 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCC(=O)N(C)C ZINC000268805855 443113511 /nfs/dbraw/zinc/11/35/11/443113511.db2.gz HKOXQIOKBVQUBK-GOEBONIOSA-N 2 1 349.475 1.735 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCC(=O)N(C)C ZINC000268805855 443113514 /nfs/dbraw/zinc/11/35/14/443113514.db2.gz HKOXQIOKBVQUBK-GOEBONIOSA-N 2 1 349.475 1.735 20 0 EDADMP CCS(=O)(=O)NCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268829233 443121432 /nfs/dbraw/zinc/12/14/32/443121432.db2.gz VUQCJIPAJADGMJ-WBVHZDCISA-N 2 1 339.505 1.568 20 0 EDADMP CCS(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268829233 443121434 /nfs/dbraw/zinc/12/14/34/443121434.db2.gz VUQCJIPAJADGMJ-WBVHZDCISA-N 2 1 339.505 1.568 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268865138 443130310 /nfs/dbraw/zinc/13/03/10/443130310.db2.gz ZYCATSVIACULMO-AEFFLSMTSA-N 2 1 345.487 1.911 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000268865138 443130315 /nfs/dbraw/zinc/13/03/15/443130315.db2.gz ZYCATSVIACULMO-AEFFLSMTSA-N 2 1 345.487 1.911 20 0 EDADMP O=C(CC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1)N1CC[NH2+]CC1 ZINC000262232130 443186776 /nfs/dbraw/zinc/18/67/76/443186776.db2.gz VLARIIAHNBLWTO-GOSISDBHSA-N 2 1 331.460 1.142 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000236941756 443152689 /nfs/dbraw/zinc/15/26/89/443152689.db2.gz LWXRYUAZCBGWJS-UHFFFAOYSA-N 2 1 344.507 1.784 20 0 EDADMP COCC(=O)N1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000304729047 318922731 /nfs/dbraw/zinc/92/27/31/318922731.db2.gz YKLRXDOJVKGONT-UHFFFAOYSA-N 2 1 345.487 1.878 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000245382825 443220542 /nfs/dbraw/zinc/22/05/42/443220542.db2.gz LOUZAIHWDCZVJK-OWCLPIDISA-N 2 1 325.497 1.865 20 0 EDADMP COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678965 443236956 /nfs/dbraw/zinc/23/69/56/443236956.db2.gz MCOGIKIYYWHFRU-HRCADAONSA-N 2 1 325.497 1.770 20 0 EDADMP COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678965 443236961 /nfs/dbraw/zinc/23/69/61/443236961.db2.gz MCOGIKIYYWHFRU-HRCADAONSA-N 2 1 325.497 1.770 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+]3C[C@@H](C)[C@H](CO)C3)cc2)C[C@H]1CO ZINC000190861624 443198413 /nfs/dbraw/zinc/19/84/13/443198413.db2.gz XSVZJNJHRYCLMQ-YKCBXCCJSA-N 2 1 332.488 1.807 20 0 EDADMP C[NH+](C)[C@@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccccc1 ZINC000269155657 443216059 /nfs/dbraw/zinc/21/60/59/443216059.db2.gz GLCNBHCJQQJIQO-GOSISDBHSA-N 2 1 339.443 1.733 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000413076533 319262950 /nfs/dbraw/zinc/26/29/50/319262950.db2.gz QXGBVLONCDJDRV-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000413076533 319262951 /nfs/dbraw/zinc/26/29/51/319262951.db2.gz QXGBVLONCDJDRV-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414064054 319314739 /nfs/dbraw/zinc/31/47/39/319314739.db2.gz FHQORNRUNKEDBX-QWHCGFSZSA-N 2 1 342.281 1.931 20 0 EDADMP C[C@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)C[NH+]1CCOCC1 ZINC000185796860 443258689 /nfs/dbraw/zinc/25/86/89/443258689.db2.gz DEDIHJICOGYCRP-MRXNPFEDSA-N 2 1 340.512 1.376 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000415900900 319382875 /nfs/dbraw/zinc/38/28/75/319382875.db2.gz MLLQTSZKEUBFBQ-GOSISDBHSA-N 2 1 347.507 1.800 20 0 EDADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416155139 319393042 /nfs/dbraw/zinc/39/30/42/319393042.db2.gz CLERYHCICMIFFS-FUHWJXTLSA-N 2 1 333.476 1.906 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000266891198 443281946 /nfs/dbraw/zinc/28/19/46/443281946.db2.gz VBMRSJNJDWDVOX-SFHVURJKSA-N 2 1 342.487 1.575 20 0 EDADMP CCOC(=O)[C@@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191416603 443292418 /nfs/dbraw/zinc/29/24/18/443292418.db2.gz VZEAUQYXJZBAAW-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000269277972 443263422 /nfs/dbraw/zinc/26/34/22/443263422.db2.gz YPPIURAJWCMHIX-MAUKXSAKSA-N 2 1 347.459 1.724 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)CC1 ZINC000191493963 443303153 /nfs/dbraw/zinc/30/31/53/443303153.db2.gz MOKSMHFOOLNSNM-HZPDHXFCSA-N 2 1 333.542 1.156 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21)Cc1ccccc1 ZINC000272455575 443324728 /nfs/dbraw/zinc/32/47/28/443324728.db2.gz NGPJUQNYLRWKJA-MSOLQXFVSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000272455575 443324732 /nfs/dbraw/zinc/32/47/32/443324732.db2.gz NGPJUQNYLRWKJA-MSOLQXFVSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000272455575 443324735 /nfs/dbraw/zinc/32/47/35/443324735.db2.gz NGPJUQNYLRWKJA-MSOLQXFVSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H](O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272490585 443337467 /nfs/dbraw/zinc/33/74/67/443337467.db2.gz CCGRYVICRJNSGO-RNIPGJKVSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](O)[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272490585 443337471 /nfs/dbraw/zinc/33/74/71/443337471.db2.gz CCGRYVICRJNSGO-RNIPGJKVSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](O)[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272490585 443337473 /nfs/dbraw/zinc/33/74/73/443337473.db2.gz CCGRYVICRJNSGO-RNIPGJKVSA-N 2 1 345.487 1.468 20 0 EDADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000264686800 443374390 /nfs/dbraw/zinc/37/43/90/443374390.db2.gz CLIPRBMXTWNDOB-SFHVURJKSA-N 2 1 347.507 1.054 20 0 EDADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000264686800 443374392 /nfs/dbraw/zinc/37/43/92/443374392.db2.gz CLIPRBMXTWNDOB-SFHVURJKSA-N 2 1 347.507 1.054 20 0 EDADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000264686800 443374394 /nfs/dbraw/zinc/37/43/94/443374394.db2.gz CLIPRBMXTWNDOB-SFHVURJKSA-N 2 1 347.507 1.054 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000264774957 443418830 /nfs/dbraw/zinc/41/88/30/443418830.db2.gz VWPLBGNDVAZIOE-SFHVURJKSA-N 2 1 332.492 1.504 20 0 EDADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423435359 319775061 /nfs/dbraw/zinc/77/50/61/319775061.db2.gz SMVPZKLRNRWHGT-NVXWUHKLSA-N 2 1 333.476 1.940 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423561100 319785538 /nfs/dbraw/zinc/78/55/38/319785538.db2.gz PSSPFMILELCYQJ-ZDUSSCGKSA-N 2 1 325.478 1.744 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1(C[NH3+])CCCC1 ZINC000431021684 319936939 /nfs/dbraw/zinc/93/69/39/319936939.db2.gz ANUAJRBWYOQQAZ-KRWDZBQOSA-N 2 1 344.503 1.832 20 0 EDADMP C[C@@H]([NH2+]CCCNS(C)(=O)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272385456 443609795 /nfs/dbraw/zinc/60/97/95/443609795.db2.gz CEMZRMXWDGLNHD-NVXWUHKLSA-N 2 1 339.505 1.426 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000441221243 320093101 /nfs/dbraw/zinc/09/31/01/320093101.db2.gz CRIFRSHBTLVZKO-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000457702131 320332338 /nfs/dbraw/zinc/33/23/38/320332338.db2.gz BJVVTRUBCUIESN-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000457702133 320332351 /nfs/dbraw/zinc/33/23/51/320332351.db2.gz BJVVTRUBCUIESN-HZPDHXFCSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCCC[C@H]1C ZINC000457700080 320332399 /nfs/dbraw/zinc/33/23/99/320332399.db2.gz GYCWTEGPEVQFBM-BRWVUGGUSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@@H+]1CCCC[C@H]1C ZINC000457700080 320332400 /nfs/dbraw/zinc/33/24/00/320332400.db2.gz GYCWTEGPEVQFBM-BRWVUGGUSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@H+]1CCCC[C@H]1C ZINC000457700080 320332401 /nfs/dbraw/zinc/33/24/01/320332401.db2.gz GYCWTEGPEVQFBM-BRWVUGGUSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000457706181 320332474 /nfs/dbraw/zinc/33/24/74/320332474.db2.gz HRVMVGLTVZNJKZ-JKSUJKDBSA-N 2 1 326.485 1.007 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000458851062 320343080 /nfs/dbraw/zinc/34/30/80/320343080.db2.gz URSKGCBLFRSTCG-QGZVFWFLSA-N 2 1 338.496 1.369 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000471637554 320352836 /nfs/dbraw/zinc/35/28/36/320352836.db2.gz XJGRFQWICMXVLS-UHFFFAOYSA-N 2 1 334.464 1.092 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488395305 320358110 /nfs/dbraw/zinc/35/81/10/320358110.db2.gz HGMQDXMGADAOQK-ZMSDIMECSA-N 2 1 333.480 1.953 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488395305 320358111 /nfs/dbraw/zinc/35/81/11/320358111.db2.gz HGMQDXMGADAOQK-ZMSDIMECSA-N 2 1 333.480 1.953 20 0 EDADMP Cn1nccc1/C=C\C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000491199812 320366606 /nfs/dbraw/zinc/36/66/06/320366606.db2.gz LAIHZEJXHZQXND-ARJAWSKDSA-N 2 1 326.404 1.219 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CN(C)C(=O)O2)CC1 ZINC000495728969 320398476 /nfs/dbraw/zinc/39/84/76/320398476.db2.gz NHYHHMRNAHNWLZ-MRXNPFEDSA-N 2 1 327.469 1.507 20 0 EDADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000280382473 443708130 /nfs/dbraw/zinc/70/81/30/443708130.db2.gz HTKHOBFCTVYLFY-UHFFFAOYSA-N 2 1 344.459 1.107 20 0 EDADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000280382473 443708133 /nfs/dbraw/zinc/70/81/33/443708133.db2.gz HTKHOBFCTVYLFY-UHFFFAOYSA-N 2 1 344.459 1.107 20 0 EDADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000283801184 443724181 /nfs/dbraw/zinc/72/41/81/443724181.db2.gz WDLBAMMXVWJPBA-MRXNPFEDSA-N 2 1 348.491 1.081 20 0 EDADMP CC[NH+]1CCN(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000298665386 443832991 /nfs/dbraw/zinc/83/29/91/443832991.db2.gz SNBFYIWGIBQRFK-QGZVFWFLSA-N 2 1 334.464 1.645 20 0 EDADMP CN(C)C(=O)COc1ccccc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292786331 443843151 /nfs/dbraw/zinc/84/31/51/443843151.db2.gz LYLZUKPQVSHZTF-LJQANCHMSA-N 2 1 331.460 1.681 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292786331 443843154 /nfs/dbraw/zinc/84/31/54/443843154.db2.gz LYLZUKPQVSHZTF-LJQANCHMSA-N 2 1 331.460 1.681 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292786331 443843158 /nfs/dbraw/zinc/84/31/58/443843158.db2.gz LYLZUKPQVSHZTF-LJQANCHMSA-N 2 1 331.460 1.681 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292786331 443843161 /nfs/dbraw/zinc/84/31/61/443843161.db2.gz LYLZUKPQVSHZTF-LJQANCHMSA-N 2 1 331.460 1.681 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292786331 443843165 /nfs/dbraw/zinc/84/31/65/443843165.db2.gz LYLZUKPQVSHZTF-LJQANCHMSA-N 2 1 331.460 1.681 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H](O)C2)CC1 ZINC000298702720 443843616 /nfs/dbraw/zinc/84/36/16/443843616.db2.gz JZDVUIBYGUQQKV-LJQANCHMSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H](O)C2)CC1 ZINC000298702720 443843619 /nfs/dbraw/zinc/84/36/19/443843619.db2.gz JZDVUIBYGUQQKV-LJQANCHMSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000298702720 443843622 /nfs/dbraw/zinc/84/36/22/443843622.db2.gz JZDVUIBYGUQQKV-LJQANCHMSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000298702720 443843625 /nfs/dbraw/zinc/84/36/25/443843625.db2.gz JZDVUIBYGUQQKV-LJQANCHMSA-N 2 1 345.487 1.486 20 0 EDADMP C[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000292913912 443877628 /nfs/dbraw/zinc/87/76/28/443877628.db2.gz FOPHEHJXNPAOPA-XFQXTVEOSA-N 2 1 329.488 1.620 20 0 EDADMP C[C@@H]1C[C@@H](NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000292913912 443877629 /nfs/dbraw/zinc/87/76/29/443877629.db2.gz FOPHEHJXNPAOPA-XFQXTVEOSA-N 2 1 329.488 1.620 20 0 EDADMP C[C@@H]1C[C@@H](NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000292913912 443877630 /nfs/dbraw/zinc/87/76/30/443877630.db2.gz FOPHEHJXNPAOPA-XFQXTVEOSA-N 2 1 329.488 1.620 20 0 EDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000285346074 443950406 /nfs/dbraw/zinc/95/04/06/443950406.db2.gz AOHAKUYTFISNDV-DZGCQCFKSA-N 2 1 340.493 1.345 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CCn3cncc3C2)[C@@H]1c1ccccc1 ZINC000293068914 443916977 /nfs/dbraw/zinc/91/69/77/443916977.db2.gz SATFFJUVWMQRDA-IRXDYDNUSA-N 2 1 325.416 1.854 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cn2cc[nH+]c12 ZINC000293392002 444004548 /nfs/dbraw/zinc/00/45/48/444004548.db2.gz LWJXZMQPEMPAIM-LBPRGKRZSA-N 2 1 329.404 1.180 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cn2cc[nH+]c12 ZINC000293392002 444004552 /nfs/dbraw/zinc/00/45/52/444004552.db2.gz LWJXZMQPEMPAIM-LBPRGKRZSA-N 2 1 329.404 1.180 20 0 EDADMP COc1cccc(COC[C@H](O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277305736 443958347 /nfs/dbraw/zinc/95/83/47/443958347.db2.gz ULALJJSNMFPNQV-QZTJIDSGSA-N 2 1 336.476 1.989 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@H]2CCC[NH+]2C)[C@H](c2ccccc2)C1 ZINC000299530235 444071649 /nfs/dbraw/zinc/07/16/49/444071649.db2.gz NANRVJOVZJEOHP-MOPGFXCFSA-N 2 1 344.503 1.576 20 0 EDADMP CN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](c2ccccc2)C1 ZINC000299530235 444071653 /nfs/dbraw/zinc/07/16/53/444071653.db2.gz NANRVJOVZJEOHP-MOPGFXCFSA-N 2 1 344.503 1.576 20 0 EDADMP CN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C)[C@H](c2ccccc2)C1 ZINC000299530235 444071654 /nfs/dbraw/zinc/07/16/54/444071654.db2.gz NANRVJOVZJEOHP-MOPGFXCFSA-N 2 1 344.503 1.576 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000299530235 444071657 /nfs/dbraw/zinc/07/16/57/444071657.db2.gz NANRVJOVZJEOHP-MOPGFXCFSA-N 2 1 344.503 1.576 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCCCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000299530235 444071659 /nfs/dbraw/zinc/07/16/59/444071659.db2.gz NANRVJOVZJEOHP-MOPGFXCFSA-N 2 1 344.503 1.576 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000299530235 444071662 /nfs/dbraw/zinc/07/16/62/444071662.db2.gz NANRVJOVZJEOHP-MOPGFXCFSA-N 2 1 344.503 1.576 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000299530235 444071664 /nfs/dbraw/zinc/07/16/64/444071664.db2.gz NANRVJOVZJEOHP-MOPGFXCFSA-N 2 1 344.503 1.576 20 0 EDADMP CN1CCC[N@@H+](CCCN[C@H](c2nc[nH]n2)c2ccc(F)cc2)CC1 ZINC000293641857 444077780 /nfs/dbraw/zinc/07/77/80/444077780.db2.gz IDOBEAKTFUTWCZ-KRWDZBQOSA-N 2 1 346.454 1.650 20 0 EDADMP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2)CC1 ZINC000299553411 444078060 /nfs/dbraw/zinc/07/80/60/444078060.db2.gz QYCAQSWSJRXMCV-IBGZPJMESA-N 2 1 344.503 1.535 20 0 EDADMP Cc1ccc(O)c(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000289147334 444064060 /nfs/dbraw/zinc/06/40/60/444064060.db2.gz AVQDMEBXWKKNNB-UHFFFAOYSA-N 2 1 332.448 1.082 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCC(=O)OC ZINC000560407522 321026711 /nfs/dbraw/zinc/02/67/11/321026711.db2.gz YFLAKHQQEFQCFO-SOUVJXGZSA-N 2 1 327.469 1.154 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1)C2 ZINC000563138877 321098185 /nfs/dbraw/zinc/09/81/85/321098185.db2.gz VVYTVJFSENZHRN-JKSUJKDBSA-N 2 1 345.443 1.071 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)COc1ccccc1)C2 ZINC000563138875 321098322 /nfs/dbraw/zinc/09/83/22/321098322.db2.gz VVYTVJFSENZHRN-HOTGVXAUSA-N 2 1 345.443 1.071 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccon3)CC2)CC1 ZINC000563379784 321107228 /nfs/dbraw/zinc/10/72/28/321107228.db2.gz XYFULGPMSCMMHV-UHFFFAOYSA-N 2 1 334.464 1.530 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000565881049 321204650 /nfs/dbraw/zinc/20/46/50/321204650.db2.gz BUCLSQDTMHMNSJ-LSDHHAIUSA-N 2 1 338.402 1.557 20 0 EDADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000567645877 321250557 /nfs/dbraw/zinc/25/05/57/321250557.db2.gz HVKKBHWRZDTPHA-HOTGVXAUSA-N 2 1 325.478 1.356 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOCC34CCC4)CC2)CC1 ZINC000568882115 321309824 /nfs/dbraw/zinc/30/98/24/321309824.db2.gz XGQWOBLDUCCCAI-UHFFFAOYSA-N 2 1 349.519 1.964 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000569966070 321332304 /nfs/dbraw/zinc/33/23/04/321332304.db2.gz BTHDJMBDEZRWMQ-OWCLPIDISA-N 2 1 348.495 1.128 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000570942594 321365697 /nfs/dbraw/zinc/36/56/97/321365697.db2.gz KYPOCAOYINSBEF-RTBURBONSA-N 2 1 344.503 1.944 20 0 EDADMP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000571676923 321396930 /nfs/dbraw/zinc/39/69/30/321396930.db2.gz RJMWHBOKKPBBLC-DYVFJYSZSA-N 2 1 325.416 1.535 20 0 EDADMP c1cnn(CC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000285910950 444150373 /nfs/dbraw/zinc/15/03/73/444150373.db2.gz KTVZYBAGWNTABU-FQEVSTJZSA-N 2 1 339.487 1.775 20 0 EDADMP c1cnn(CC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000285910950 444150377 /nfs/dbraw/zinc/15/03/77/444150377.db2.gz KTVZYBAGWNTABU-FQEVSTJZSA-N 2 1 339.487 1.775 20 0 EDADMP CS[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1[NH+](C)C ZINC000295518767 444187877 /nfs/dbraw/zinc/18/78/77/444187877.db2.gz MFACIHWTDUUWIS-GJZGRUSLSA-N 2 1 331.445 1.385 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000303271269 444235824 /nfs/dbraw/zinc/23/58/24/444235824.db2.gz JRMJUWSWMOPJLF-ZACQAIPSSA-N 2 1 339.524 1.801 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000577606425 321666717 /nfs/dbraw/zinc/66/67/17/321666717.db2.gz IZPJJKUQMFKTFR-BRWVUGGUSA-N 2 1 338.496 1.400 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297262043 444279310 /nfs/dbraw/zinc/27/93/10/444279310.db2.gz BTFZDDBILWPNQO-UHFFFAOYSA-N 2 1 344.463 1.160 20 0 EDADMP C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000305834721 444282768 /nfs/dbraw/zinc/28/27/68/444282768.db2.gz WFXRQYGWCJODHK-HDMKZQKVSA-N 2 1 340.512 1.251 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1)[NH+]1CCOCC1 ZINC000578321223 321756457 /nfs/dbraw/zinc/75/64/57/321756457.db2.gz ZPWJXOZQCLJZJJ-SFHVURJKSA-N 2 1 348.491 1.691 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000331099212 444393914 /nfs/dbraw/zinc/39/39/14/444393914.db2.gz AOSFBKGKQCHNDU-CZUORRHYSA-N 2 1 326.462 1.399 20 0 EDADMP C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000331176699 444432344 /nfs/dbraw/zinc/43/23/44/444432344.db2.gz GRSVPRZECLCTDX-HNNXBMFYSA-N 2 1 339.480 1.345 20 0 EDADMP C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000331176699 444432346 /nfs/dbraw/zinc/43/23/46/444432346.db2.gz GRSVPRZECLCTDX-HNNXBMFYSA-N 2 1 339.480 1.345 20 0 EDADMP C[NH+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000331176699 444432347 /nfs/dbraw/zinc/43/23/47/444432347.db2.gz GRSVPRZECLCTDX-HNNXBMFYSA-N 2 1 339.480 1.345 20 0 EDADMP C[NH+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000331176699 444432349 /nfs/dbraw/zinc/43/23/49/444432349.db2.gz GRSVPRZECLCTDX-HNNXBMFYSA-N 2 1 339.480 1.345 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CSCC[NH+](C)C)CC1 ZINC000340698444 444483042 /nfs/dbraw/zinc/48/30/42/444483042.db2.gz ZGXAIUXITLQBQJ-UHFFFAOYSA-N 2 1 335.517 1.934 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)[C@@H](C)C1 ZINC000338009832 444486071 /nfs/dbraw/zinc/48/60/71/444486071.db2.gz WUPAVLKIINYBRW-WNRNVDISSA-N 2 1 337.508 1.866 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580079131 322007308 /nfs/dbraw/zinc/00/73/08/322007308.db2.gz JMGQKDRKSHJGDJ-UYAOXDASSA-N 2 1 342.487 1.896 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000580923693 322112282 /nfs/dbraw/zinc/11/22/82/322112282.db2.gz TYUVNQMKGBCPER-CEXWTWQISA-N 2 1 339.524 1.672 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000580923693 322112284 /nfs/dbraw/zinc/11/22/84/322112284.db2.gz TYUVNQMKGBCPER-CEXWTWQISA-N 2 1 339.524 1.672 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000581245505 322153461 /nfs/dbraw/zinc/15/34/61/322153461.db2.gz DNQWRQGCJQSDJW-CRAIPNDOSA-N 2 1 330.476 1.677 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)CC2 ZINC000581888886 322229352 /nfs/dbraw/zinc/22/93/52/322229352.db2.gz XTCMRODIVIPHSA-ZBFHGGJFSA-N 2 1 334.464 1.371 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000581888886 322229354 /nfs/dbraw/zinc/22/93/54/322229354.db2.gz XTCMRODIVIPHSA-ZBFHGGJFSA-N 2 1 334.464 1.371 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H]3CCOc4ccccc43)C[C@H]21 ZINC000342130786 444524221 /nfs/dbraw/zinc/52/42/21/444524221.db2.gz NVNDQOVWXYRXOO-DZUCGIPZSA-N 2 1 329.444 1.686 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H]3CCOc4ccccc43)C[C@H]21 ZINC000342130786 444524227 /nfs/dbraw/zinc/52/42/27/444524227.db2.gz NVNDQOVWXYRXOO-DZUCGIPZSA-N 2 1 329.444 1.686 20 0 EDADMP COc1ccccc1N1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000342147711 444533563 /nfs/dbraw/zinc/53/35/63/444533563.db2.gz UXBAXFQMZZDOIG-MPTYRVRUSA-N 2 1 329.444 1.860 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C[N@H+]1Cc1ccccc1 ZINC000343819580 444609781 /nfs/dbraw/zinc/60/97/81/444609781.db2.gz JKGWSNPXRJKLKN-BHIYHBOVSA-N 2 1 342.487 1.156 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C[NH+]1Cc1ccccc1 ZINC000343819580 444609784 /nfs/dbraw/zinc/60/97/84/444609784.db2.gz JKGWSNPXRJKLKN-BHIYHBOVSA-N 2 1 342.487 1.156 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C[NH+]1Cc1ccccc1 ZINC000343819580 444609787 /nfs/dbraw/zinc/60/97/87/444609787.db2.gz JKGWSNPXRJKLKN-BHIYHBOVSA-N 2 1 342.487 1.156 20 0 EDADMP O=C(NCCC[NH+]1CCCC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000340984172 444615174 /nfs/dbraw/zinc/61/51/74/444615174.db2.gz BMBUFSJAQCOAFB-KRWDZBQOSA-N 2 1 338.496 1.369 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342373930 444663052 /nfs/dbraw/zinc/66/30/52/444663052.db2.gz NLVOWVCRZSNJJK-XLMAVXFVSA-N 2 1 337.508 1.532 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342373930 444663056 /nfs/dbraw/zinc/66/30/56/444663056.db2.gz NLVOWVCRZSNJJK-XLMAVXFVSA-N 2 1 337.508 1.532 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342373930 444663061 /nfs/dbraw/zinc/66/30/61/444663061.db2.gz NLVOWVCRZSNJJK-XLMAVXFVSA-N 2 1 337.508 1.532 20 0 EDADMP O=C(NC1CC[NH+](C2CCC2)CC1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000333519395 444678061 /nfs/dbraw/zinc/67/80/61/444678061.db2.gz GLVSLJYDLCMPRH-GOSISDBHSA-N 2 1 343.475 1.754 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)cn1 ZINC000333838342 444702083 /nfs/dbraw/zinc/70/20/83/444702083.db2.gz NSVSQPZXTIJRPQ-IAGOWNOFSA-N 2 1 348.495 1.155 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)cn1 ZINC000333838342 444702089 /nfs/dbraw/zinc/70/20/89/444702089.db2.gz NSVSQPZXTIJRPQ-IAGOWNOFSA-N 2 1 348.495 1.155 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000341187154 444717638 /nfs/dbraw/zinc/71/76/38/444717638.db2.gz CGNCYVIZQDBDQF-GJZGRUSLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000333943790 444725028 /nfs/dbraw/zinc/72/50/28/444725028.db2.gz RJKKWYJPLOCZLR-NUJGCVRESA-N 2 1 345.491 1.858 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)[N@H+]1CCC[C@@H](C)C1 ZINC000333943790 444725033 /nfs/dbraw/zinc/72/50/33/444725033.db2.gz RJKKWYJPLOCZLR-NUJGCVRESA-N 2 1 345.491 1.858 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCCO1 ZINC000333639124 444687149 /nfs/dbraw/zinc/68/71/49/444687149.db2.gz UFZYVNNABMHGLU-IAGOWNOFSA-N 2 1 338.496 1.543 20 0 EDADMP Cc1nc(CN2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)oc1C ZINC000342549516 444740457 /nfs/dbraw/zinc/74/04/57/444740457.db2.gz WFSMBROGYNHIKH-GUYCJALGSA-N 2 1 348.491 1.817 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)oc1C ZINC000342549516 444740460 /nfs/dbraw/zinc/74/04/60/444740460.db2.gz WFSMBROGYNHIKH-GUYCJALGSA-N 2 1 348.491 1.817 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)oc1C ZINC000342549516 444740466 /nfs/dbraw/zinc/74/04/66/444740466.db2.gz WFSMBROGYNHIKH-GUYCJALGSA-N 2 1 348.491 1.817 20 0 EDADMP CN(CCC[N@@H+](C)Cc1cnn(C)c1C(F)(F)F)CC[NH+](C)C ZINC000344047215 444749056 /nfs/dbraw/zinc/74/90/56/444749056.db2.gz YTTKZLKKWPLMJO-UHFFFAOYSA-N 2 1 335.418 1.754 20 0 EDADMP C[C@H](O)[C@H]1CCN(c2cc(N(C)CC[C@H]3CCCC[N@H+]3C)ncn2)C1 ZINC000334027698 444751712 /nfs/dbraw/zinc/75/17/12/444751712.db2.gz IMBWBFYMNLEQQR-YESZJQIVSA-N 2 1 347.507 1.994 20 0 EDADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000344070695 444764703 /nfs/dbraw/zinc/76/47/03/444764703.db2.gz VGIUNYHYRFUVOY-GOSISDBHSA-N 2 1 334.508 1.290 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000334072856 444770428 /nfs/dbraw/zinc/77/04/28/444770428.db2.gz ICXMMVCTENVVQG-GASCZTMLSA-N 2 1 338.496 1.100 20 0 EDADMP CCc1nccn1[C@H]1CCCN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000334078130 444772120 /nfs/dbraw/zinc/77/21/20/444772120.db2.gz KNQIJDFYBDHSOO-INIZCTEOSA-N 2 1 349.479 1.514 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)n3ccnc32)C[C@H]1[NH+]1CCOCC1 ZINC000333981657 444735798 /nfs/dbraw/zinc/73/57/98/444735798.db2.gz AVFNDRUPNISEBH-ZJIFWQFVSA-N 2 1 347.463 1.641 20 0 EDADMP C[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000342657418 444800082 /nfs/dbraw/zinc/80/00/82/444800082.db2.gz LPIAYUYOBAPBMP-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC000336857636 444805543 /nfs/dbraw/zinc/80/55/43/444805543.db2.gz UCJWJVXANLRGOC-JYJNAYRXSA-N 2 1 331.526 1.463 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC000336857636 444805544 /nfs/dbraw/zinc/80/55/44/444805544.db2.gz UCJWJVXANLRGOC-JYJNAYRXSA-N 2 1 331.526 1.463 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC000336857636 444805548 /nfs/dbraw/zinc/80/55/48/444805548.db2.gz UCJWJVXANLRGOC-JYJNAYRXSA-N 2 1 331.526 1.463 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C(C)(C)C)C2)C1 ZINC000344164897 444817041 /nfs/dbraw/zinc/81/70/41/444817041.db2.gz PFODQFSVACADSN-DLBZAZTESA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)C2)C1 ZINC000344164897 444817044 /nfs/dbraw/zinc/81/70/44/444817044.db2.gz PFODQFSVACADSN-DLBZAZTESA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C(C)(C)C)C2)C1 ZINC000344164897 444817046 /nfs/dbraw/zinc/81/70/46/444817046.db2.gz PFODQFSVACADSN-DLBZAZTESA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000338845168 444885013 /nfs/dbraw/zinc/88/50/13/444885013.db2.gz XGJMVTOLSPXTKQ-UHFFFAOYSA-N 2 1 345.487 1.811 20 0 EDADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](CO)C3CCOCC3)sc2C1 ZINC000344353126 444913662 /nfs/dbraw/zinc/91/36/62/444913662.db2.gz JFYOMMAIBMUNSC-OAHLLOKOSA-N 2 1 339.505 1.787 20 0 EDADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](CO)C3CCOCC3)sc2C1 ZINC000344353126 444913666 /nfs/dbraw/zinc/91/36/66/444913666.db2.gz JFYOMMAIBMUNSC-OAHLLOKOSA-N 2 1 339.505 1.787 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@@H]3CCCOC3)c2)C1 ZINC000344405013 444945106 /nfs/dbraw/zinc/94/51/06/444945106.db2.gz GDSWIZHIBKTCLZ-OALUTQOASA-N 2 1 345.487 1.900 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000341647533 444932406 /nfs/dbraw/zinc/93/24/06/444932406.db2.gz VSFWFMDYTGBYSN-QGZVFWFLSA-N 2 1 339.524 1.925 20 0 EDADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000337219463 444991104 /nfs/dbraw/zinc/99/11/04/444991104.db2.gz JWAPNDUDEMGCPG-OAHLLOKOSA-N 2 1 345.443 1.061 20 0 EDADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000337219463 444991106 /nfs/dbraw/zinc/99/11/06/444991106.db2.gz JWAPNDUDEMGCPG-OAHLLOKOSA-N 2 1 345.443 1.061 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+]1CCC(C)CC1 ZINC000343092613 445057835 /nfs/dbraw/zinc/05/78/35/445057835.db2.gz CXFXADJJPBOIJA-ZWKOTPCHSA-N 2 1 336.524 1.249 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000337452082 445087855 /nfs/dbraw/zinc/08/78/55/445087855.db2.gz UNTWKILZMZHRNC-YLFCFFPRSA-N 2 1 325.497 1.674 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000337546673 445130229 /nfs/dbraw/zinc/13/02/29/445130229.db2.gz MUBNBGXBGUKWLP-VQHPVUNQSA-N 2 1 338.496 1.412 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCSC1 ZINC000343199963 445130446 /nfs/dbraw/zinc/13/04/46/445130446.db2.gz LCKZSDXCHRPQIT-KRWDZBQOSA-N 2 1 348.516 1.600 20 0 EDADMP C[NH+](C)CC[C@@H](NC(=O)NCC[NH+]1CCSCC1)C(C)(C)C ZINC000342029398 445131835 /nfs/dbraw/zinc/13/18/35/445131835.db2.gz WRNYCKZHTVMDLM-CQSZACIVSA-N 2 1 330.542 1.701 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2conc2Cc2ccccc2)CC1 ZINC000339240754 445108631 /nfs/dbraw/zinc/10/86/31/445108631.db2.gz QVIXMSVTFFUNOT-UHFFFAOYSA-N 2 1 342.443 1.519 20 0 EDADMP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342089585 445166197 /nfs/dbraw/zinc/16/61/97/445166197.db2.gz RWGNZJCGEDMWJG-XIRDDKMYSA-N 2 1 344.459 1.434 20 0 EDADMP CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342089585 445166202 /nfs/dbraw/zinc/16/62/02/445166202.db2.gz RWGNZJCGEDMWJG-XIRDDKMYSA-N 2 1 344.459 1.434 20 0 EDADMP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Cc1nnc2n1CCCCC2 ZINC000343242950 445156944 /nfs/dbraw/zinc/15/69/44/445156944.db2.gz ASKVHYWOMQWGFW-BRWVUGGUSA-N 2 1 347.507 1.684 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347524227 445241094 /nfs/dbraw/zinc/24/10/94/445241094.db2.gz QCFKZXHPUNCZBU-HNNXBMFYSA-N 2 1 330.476 1.293 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343567964 445245855 /nfs/dbraw/zinc/24/58/55/445245855.db2.gz OMDJAWCGEAKMMF-IAGOWNOFSA-N 2 1 336.524 1.393 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343567964 445245856 /nfs/dbraw/zinc/24/58/56/445245856.db2.gz OMDJAWCGEAKMMF-IAGOWNOFSA-N 2 1 336.524 1.393 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343567964 445245857 /nfs/dbraw/zinc/24/58/57/445245857.db2.gz OMDJAWCGEAKMMF-IAGOWNOFSA-N 2 1 336.524 1.393 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@H](OC)C[C@@H]1C[NH+]1CCCC1)C1CC1 ZINC000348123215 445280736 /nfs/dbraw/zinc/28/07/36/445280736.db2.gz DGFFEJVZELZVPV-IAGOWNOFSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354713198 445348314 /nfs/dbraw/zinc/34/83/14/445348314.db2.gz QKHBYHTZBYNPPV-HOTGVXAUSA-N 2 1 338.496 1.016 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(NC)nc1 ZINC000351806604 445327570 /nfs/dbraw/zinc/32/75/70/445327570.db2.gz FYLDCUHGAGVHBK-MRXNPFEDSA-N 2 1 333.480 1.611 20 0 EDADMP [NH3+]CCOCC[NH+]1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000357083252 445416372 /nfs/dbraw/zinc/41/63/72/445416372.db2.gz XYYFWDAQCNJUNK-UHFFFAOYSA-N 2 1 325.840 1.002 20 0 EDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1cnn(C)c1 ZINC000354845809 445421566 /nfs/dbraw/zinc/42/15/66/445421566.db2.gz DFASJNOSABRQHW-SJORKVTESA-N 2 1 346.454 1.583 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362552363 445435176 /nfs/dbraw/zinc/43/51/76/445435176.db2.gz KZSMKKDGXOTEAS-XGUBFFRZSA-N 2 1 333.480 1.583 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[NH2+]Cc2ccccn2)cc[nH+]1 ZINC000354935139 445435157 /nfs/dbraw/zinc/43/51/57/445435157.db2.gz ORALRRIYCRVZSK-UKRRQHHQSA-N 2 1 330.411 1.644 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362564832 445442600 /nfs/dbraw/zinc/44/26/00/445442600.db2.gz OHQIKIBRDSVIHH-LSDHHAIUSA-N 2 1 333.480 1.729 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362566024 445443420 /nfs/dbraw/zinc/44/34/20/445443420.db2.gz DVYCIXVZAIXHNT-LSDHHAIUSA-N 2 1 331.464 1.291 20 0 EDADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000362566024 445443423 /nfs/dbraw/zinc/44/34/23/445443423.db2.gz DVYCIXVZAIXHNT-LSDHHAIUSA-N 2 1 331.464 1.291 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000362566024 445443427 /nfs/dbraw/zinc/44/34/27/445443427.db2.gz DVYCIXVZAIXHNT-LSDHHAIUSA-N 2 1 331.464 1.291 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000355332275 445455931 /nfs/dbraw/zinc/45/59/31/445455931.db2.gz BBSVLSLJHDMVPI-UHOSZYNNSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000355332275 445455935 /nfs/dbraw/zinc/45/59/35/445455935.db2.gz BBSVLSLJHDMVPI-UHOSZYNNSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000355332275 445455941 /nfs/dbraw/zinc/45/59/41/445455941.db2.gz BBSVLSLJHDMVPI-UHOSZYNNSA-N 2 1 349.519 1.963 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000355413193 445458845 /nfs/dbraw/zinc/45/88/45/445458845.db2.gz PTDXDDOHZFIUII-RZFLPCETSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000355413193 445458849 /nfs/dbraw/zinc/45/88/49/445458849.db2.gz PTDXDDOHZFIUII-RZFLPCETSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000355413193 445458851 /nfs/dbraw/zinc/45/88/51/445458851.db2.gz PTDXDDOHZFIUII-RZFLPCETSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000355413193 445458855 /nfs/dbraw/zinc/45/88/55/445458855.db2.gz PTDXDDOHZFIUII-RZFLPCETSA-N 2 1 337.508 1.959 20 0 EDADMP COC[C@@]1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000357298333 445533432 /nfs/dbraw/zinc/53/34/32/445533432.db2.gz ZNWABESWLRTRJW-HKUYNNGSSA-N 2 1 331.460 1.536 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])c1OC ZINC000352504183 445533884 /nfs/dbraw/zinc/53/38/84/445533884.db2.gz OBQQIQIIINPWQX-INIZCTEOSA-N 2 1 349.475 1.866 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])c1OC ZINC000352504183 445533889 /nfs/dbraw/zinc/53/38/89/445533889.db2.gz OBQQIQIIINPWQX-INIZCTEOSA-N 2 1 349.475 1.866 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(CCOC(C)C)CC1 ZINC000359919782 445488767 /nfs/dbraw/zinc/48/87/67/445488767.db2.gz WIYISJPPAXJLID-KRWDZBQOSA-N 2 1 342.528 1.859 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000359919782 445488772 /nfs/dbraw/zinc/48/87/72/445488772.db2.gz WIYISJPPAXJLID-KRWDZBQOSA-N 2 1 342.528 1.859 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000359919782 445488775 /nfs/dbraw/zinc/48/87/75/445488775.db2.gz WIYISJPPAXJLID-KRWDZBQOSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000349057343 445490188 /nfs/dbraw/zinc/49/01/88/445490188.db2.gz NAJHUVXDFJWXNW-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CCOC3C[NH2+]C3)CC2)c1 ZINC000349063667 445492208 /nfs/dbraw/zinc/49/22/08/445492208.db2.gz ZCWODZXYDFYMOC-OAHLLOKOSA-N 2 1 347.459 1.279 20 0 EDADMP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CC3(O)CCC(C)CC3)CC2)C1 ZINC000360091603 445562147 /nfs/dbraw/zinc/56/21/47/445562147.db2.gz FKKJCNWMVYQACL-XBMUEBEBSA-N 2 1 339.524 1.266 20 0 EDADMP CC[N@H+]1CCO[C@H](CN2CC[NH+](CC3(O)CCC(C)CC3)CC2)C1 ZINC000360091603 445562148 /nfs/dbraw/zinc/56/21/48/445562148.db2.gz FKKJCNWMVYQACL-XBMUEBEBSA-N 2 1 339.524 1.266 20 0 EDADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362856160 445583609 /nfs/dbraw/zinc/58/36/09/445583609.db2.gz PZZVGHXTYQPFES-DOTOQJQBSA-N 2 1 325.497 1.534 20 0 EDADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000362765466 445539489 /nfs/dbraw/zinc/53/94/89/445539489.db2.gz KEYXJLNDLQYJHW-UHFFFAOYSA-N 2 1 346.475 1.031 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360038353 445539874 /nfs/dbraw/zinc/53/98/74/445539874.db2.gz NGIWOPXZBKGMPM-CVEARBPZSA-N 2 1 348.491 1.848 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358515660 445627138 /nfs/dbraw/zinc/62/71/38/445627138.db2.gz NCPNBBWFBDDLAF-AWEZNQCLSA-N 2 1 344.459 1.449 20 0 EDADMP CN(CC[N@@H+](C)CCc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000360208403 445629289 /nfs/dbraw/zinc/62/92/89/445629289.db2.gz LMSLJEDOOQUFHS-UHFFFAOYSA-N 2 1 347.503 1.958 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000362969406 445631527 /nfs/dbraw/zinc/63/15/27/445631527.db2.gz LYCUIQTUQCYASY-XJKSGUPXSA-N 2 1 332.448 1.691 20 0 EDADMP CCN(CCC[NH+](CC)CC)C(=O)NCC[NH+]1CCSCC1 ZINC000349691673 445646859 /nfs/dbraw/zinc/64/68/59/445646859.db2.gz ITRJYHOUPQYRGK-UHFFFAOYSA-N 2 1 330.542 1.799 20 0 EDADMP CC1(C)CCC[N@H+](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000360310891 445689525 /nfs/dbraw/zinc/68/95/25/445689525.db2.gz REDPAJJAKHFRGS-UHFFFAOYSA-N 2 1 325.497 1.727 20 0 EDADMP CC1(C)CCC[N@@H+](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000360310891 445689531 /nfs/dbraw/zinc/68/95/31/445689531.db2.gz REDPAJJAKHFRGS-UHFFFAOYSA-N 2 1 325.497 1.727 20 0 EDADMP COCCn1cc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cn1 ZINC000363167096 445704687 /nfs/dbraw/zinc/70/46/87/445704687.db2.gz CSFLVFMBEVTSHA-RYQLBKOJSA-N 2 1 336.480 1.509 20 0 EDADMP COCCn1cc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cn1 ZINC000363167096 445704691 /nfs/dbraw/zinc/70/46/91/445704691.db2.gz CSFLVFMBEVTSHA-RYQLBKOJSA-N 2 1 336.480 1.509 20 0 EDADMP CSCC[C@@H]([NH3+])C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000353714087 445721258 /nfs/dbraw/zinc/72/12/58/445721258.db2.gz UHGHPFYBNJRLTG-OAHLLOKOSA-N 2 1 342.553 1.133 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000358700188 445725547 /nfs/dbraw/zinc/72/55/47/445725547.db2.gz YZTWLUSZTVAUGS-JZXOWHBKSA-N 2 1 340.512 1.110 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000358700188 445725550 /nfs/dbraw/zinc/72/55/50/445725550.db2.gz YZTWLUSZTVAUGS-JZXOWHBKSA-N 2 1 340.512 1.110 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000358700188 445725554 /nfs/dbraw/zinc/72/55/54/445725554.db2.gz YZTWLUSZTVAUGS-JZXOWHBKSA-N 2 1 340.512 1.110 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+](C)C ZINC000363226323 445731060 /nfs/dbraw/zinc/73/10/60/445731060.db2.gz UUIPVHKPFFTGPP-ZWKOTPCHSA-N 2 1 348.491 1.482 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000361466040 445773450 /nfs/dbraw/zinc/77/34/50/445773450.db2.gz UQCVVYCUKDSXKQ-KRWDZBQOSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccco1 ZINC000358710597 445734216 /nfs/dbraw/zinc/73/42/16/445734216.db2.gz SSQNDWBIVWIHJY-PBHICJAKSA-N 2 1 338.452 1.028 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000361094291 445748580 /nfs/dbraw/zinc/74/85/80/445748580.db2.gz FYWZZLGSDGVOHM-TWPTVVAISA-N 2 1 337.508 1.625 20 0 EDADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCS(=O)(=O)N(C)C)CC2)C1 ZINC000353850266 445783250 /nfs/dbraw/zinc/78/32/50/445783250.db2.gz MOHPSZMHFYVVFO-GDBMZVCRSA-N 2 1 331.526 1.511 20 0 EDADMP C[NH+](C)[C@]1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCc2ccccc21 ZINC000363407247 445792092 /nfs/dbraw/zinc/79/20/92/445792092.db2.gz VCMKUJBHGJMRQU-FOIQADDNSA-N 2 1 327.472 1.990 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]([C@H](C)O)C2)CC1 ZINC000356443667 445792193 /nfs/dbraw/zinc/79/21/93/445792193.db2.gz FODXAZOSTKGNDT-AOIWGVFYSA-N 2 1 345.487 1.595 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]([C@H](C)O)C2)CC1 ZINC000356443667 445792197 /nfs/dbraw/zinc/79/21/97/445792197.db2.gz FODXAZOSTKGNDT-AOIWGVFYSA-N 2 1 345.487 1.595 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CC2)CCO1 ZINC000358856980 445814092 /nfs/dbraw/zinc/81/40/92/445814092.db2.gz OPVDVDNDKFBCOB-KSSFIOAISA-N 2 1 349.450 1.580 20 0 EDADMP CC[C@H]1CN(c2ccnc(N3CCCCC3)n2)CC[N@H+]1C[C@H](C)O ZINC000354075378 445887951 /nfs/dbraw/zinc/88/79/51/445887951.db2.gz KRRYDPRSRKIGSP-HOTGVXAUSA-N 2 1 333.480 1.748 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000350619197 445856539 /nfs/dbraw/zinc/85/65/39/445856539.db2.gz PJFGLAJFNXVJNQ-HUUCEWRRSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000361666119 445867979 /nfs/dbraw/zinc/86/79/79/445867979.db2.gz CDWBFESLVMZYIX-ZFWWWQNUSA-N 2 1 347.463 1.848 20 0 EDADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000361666119 445867980 /nfs/dbraw/zinc/86/79/80/445867980.db2.gz CDWBFESLVMZYIX-ZFWWWQNUSA-N 2 1 347.463 1.848 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000354087361 445894497 /nfs/dbraw/zinc/89/44/97/445894497.db2.gz ZQEVVQGYQWCYCL-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP COCC[C@@]1(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000361717341 445895898 /nfs/dbraw/zinc/89/58/98/445895898.db2.gz DIDWLVAWJLZLBA-FCEWJHQRSA-N 2 1 339.524 1.875 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC[C@H]3CCCO3)C2)c1 ZINC000361751826 445916576 /nfs/dbraw/zinc/91/65/76/445916576.db2.gz PTFKLQXERCVFOC-YESZJQIVSA-N 2 1 346.475 1.808 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](C)C(=O)OC)CC2)CC1 ZINC000366002058 445955136 /nfs/dbraw/zinc/95/51/36/445955136.db2.gz UFVQODIAQOCXGR-HNNXBMFYSA-N 2 1 339.480 1.062 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000364927150 445968776 /nfs/dbraw/zinc/96/87/76/445968776.db2.gz WEMSVNFAROLBRZ-GVDBMIGSSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000359147705 445981748 /nfs/dbraw/zinc/98/17/48/445981748.db2.gz XJTOVVZVSXIMFO-GPMSIDNRSA-N 2 1 345.487 1.395 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000369199399 445987440 /nfs/dbraw/zinc/98/74/40/445987440.db2.gz WCGXMFGOUNMKHK-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000369199399 445987450 /nfs/dbraw/zinc/98/74/50/445987450.db2.gz WCGXMFGOUNMKHK-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@H]1COCCN1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354147090 445945879 /nfs/dbraw/zinc/94/58/79/445945879.db2.gz REAUBULRNIXWDH-MAUKXSAKSA-N 2 1 349.450 1.627 20 0 EDADMP C[C@H]1COCCN1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000354147090 445945886 /nfs/dbraw/zinc/94/58/86/445945886.db2.gz REAUBULRNIXWDH-MAUKXSAKSA-N 2 1 349.450 1.627 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000354226978 446023861 /nfs/dbraw/zinc/02/38/61/446023861.db2.gz HDCZFPVDMZBDRG-GJZGRUSLSA-N 2 1 347.463 1.405 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CC=C(c2cccc(OC)c2)CC1 ZINC000583572633 326098258 /nfs/dbraw/zinc/09/82/58/326098258.db2.gz SAXRDHYAYVSJRP-GOSISDBHSA-N 2 1 334.460 1.723 20 0 EDADMP COCCN(C)C[C@@H](O)C[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000583572633 326098260 /nfs/dbraw/zinc/09/82/60/326098260.db2.gz SAXRDHYAYVSJRP-GOSISDBHSA-N 2 1 334.460 1.723 20 0 EDADMP COCCN(C)C[C@@H](O)C[N@@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000583572633 326098263 /nfs/dbraw/zinc/09/82/63/326098263.db2.gz SAXRDHYAYVSJRP-GOSISDBHSA-N 2 1 334.460 1.723 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000373148745 446060119 /nfs/dbraw/zinc/06/01/19/446060119.db2.gz YXUJZZHGBMHUMA-OTWHNJEPSA-N 2 1 342.524 1.987 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000373148745 446060121 /nfs/dbraw/zinc/06/01/21/446060121.db2.gz YXUJZZHGBMHUMA-OTWHNJEPSA-N 2 1 342.524 1.987 20 0 EDADMP C[NH+]1CCN(c2cccc(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)n2)CC1 ZINC000583646514 326111720 /nfs/dbraw/zinc/11/17/20/326111720.db2.gz UYRDKDHIVPBHFC-DOTOQJQBSA-N 2 1 343.475 1.190 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)c2ccccc2)CC1 ZINC000584290866 326237164 /nfs/dbraw/zinc/23/71/64/326237164.db2.gz LJVCPEZCUNSIOB-LSDHHAIUSA-N 2 1 340.418 1.074 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000369317797 446068957 /nfs/dbraw/zinc/06/89/57/446068957.db2.gz ZOQFWKYHJAOJJN-ZBFHGGJFSA-N 2 1 340.431 1.645 20 0 EDADMP COC[C@@H]1CCCC[NH+](C[C@@H](O)C[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000373172451 446071904 /nfs/dbraw/zinc/07/19/04/446071904.db2.gz JBNOZIRSINOGMD-REPLKXPHSA-N 2 1 342.524 1.844 20 0 EDADMP COC[C@@H]1CCCC[N@@H+](C[C@@H](O)C[NH+]2CCCC[C@H](COC)C2)C1 ZINC000373172451 446071910 /nfs/dbraw/zinc/07/19/10/446071910.db2.gz JBNOZIRSINOGMD-REPLKXPHSA-N 2 1 342.524 1.844 20 0 EDADMP COC[C@@H]1CCCC[N@H+](C[C@@H](O)C[NH+]2CCCC[C@H](COC)C2)C1 ZINC000373172451 446071914 /nfs/dbraw/zinc/07/19/14/446071914.db2.gz JBNOZIRSINOGMD-REPLKXPHSA-N 2 1 342.524 1.844 20 0 EDADMP CC[NH+](CC)CCCN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000365194769 446074030 /nfs/dbraw/zinc/07/40/30/446074030.db2.gz YSQBIFZJIZVEHE-UHFFFAOYSA-N 2 1 326.529 1.641 20 0 EDADMP CC[NH+](CC)CCCN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000365194769 446074035 /nfs/dbraw/zinc/07/40/35/446074035.db2.gz YSQBIFZJIZVEHE-UHFFFAOYSA-N 2 1 326.529 1.641 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000359251049 446084283 /nfs/dbraw/zinc/08/42/83/446084283.db2.gz MAXLUXHRPUYNLA-GJZGRUSLSA-N 2 1 340.512 1.022 20 0 EDADMP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCCCCn3cccn3)CC2)C1 ZINC000361939076 446087294 /nfs/dbraw/zinc/08/72/94/446087294.db2.gz LPSQANVUOLBICH-IBGZPJMESA-N 2 1 349.523 1.392 20 0 EDADMP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCCCCn3cccn3)CC2)C1 ZINC000361939076 446087301 /nfs/dbraw/zinc/08/73/01/446087301.db2.gz LPSQANVUOLBICH-IBGZPJMESA-N 2 1 349.523 1.392 20 0 EDADMP CC(C)(C)n1cc(CN2CCC(CCN3CCOCC3)CC2)nn1 ZINC000365262817 446110598 /nfs/dbraw/zinc/11/05/98/446110598.db2.gz SVEKTTXZPURCJT-UHFFFAOYSA-N 2 1 335.496 1.967 20 0 EDADMP COc1cc(C[C@H](CO)C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000361972958 446118382 /nfs/dbraw/zinc/11/83/82/446118382.db2.gz VDVYLCQDKZAQIX-QOKNQOGYSA-N 2 1 336.476 1.785 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359351018 446167456 /nfs/dbraw/zinc/16/74/56/446167456.db2.gz MACDPHRSQVUSBR-IAGOWNOFSA-N 2 1 330.476 1.695 20 0 EDADMP CC[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000354417554 446190117 /nfs/dbraw/zinc/19/01/17/446190117.db2.gz CABKLWCILGBNJR-ZWKOTPCHSA-N 2 1 333.476 1.686 20 0 EDADMP CCC(CC)[C@@H](C(=O)NCC[N@H+](CC)C(C)C)[NH+]1CCOCC1 ZINC000359322652 446148774 /nfs/dbraw/zinc/14/87/74/446148774.db2.gz XEMBDCCGQPAERZ-KRWDZBQOSA-N 2 1 327.513 1.970 20 0 EDADMP CCC(CC)[C@@H](C(=O)NCC[N@@H+](CC)C(C)C)[NH+]1CCOCC1 ZINC000359322652 446148782 /nfs/dbraw/zinc/14/87/82/446148782.db2.gz XEMBDCCGQPAERZ-KRWDZBQOSA-N 2 1 327.513 1.970 20 0 EDADMP CCN1CCN(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000365336863 446153988 /nfs/dbraw/zinc/15/39/88/446153988.db2.gz ORFQKTLWFDHCKE-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000365336863 446153995 /nfs/dbraw/zinc/15/39/95/446153995.db2.gz ORFQKTLWFDHCKE-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP C[N@H+]1C[C@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)C[C@H]2C1 ZINC000365511696 446236844 /nfs/dbraw/zinc/23/68/44/446236844.db2.gz VKKXFMYKOIOSGP-TXEJJXNPSA-N 2 1 347.369 1.839 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)C[C@H]2C1 ZINC000365511696 446236846 /nfs/dbraw/zinc/23/68/46/446236846.db2.gz VKKXFMYKOIOSGP-TXEJJXNPSA-N 2 1 347.369 1.839 20 0 EDADMP C[C@@](O)(C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000373569205 446265352 /nfs/dbraw/zinc/26/53/52/446265352.db2.gz PZUNNMLZDKVTHZ-HXUWFJFHSA-N 2 1 347.503 1.234 20 0 EDADMP COC(=O)c1ccnc(N2CCC([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000362306724 446313754 /nfs/dbraw/zinc/31/37/54/446313754.db2.gz ZZTPBISKPBLVOT-YOEHRIQHSA-N 2 1 346.475 1.909 20 0 EDADMP COC(=O)c1ccnc(N2CCC([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000362306724 446313757 /nfs/dbraw/zinc/31/37/57/446313757.db2.gz ZZTPBISKPBLVOT-YOEHRIQHSA-N 2 1 346.475 1.909 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000417307559 446343093 /nfs/dbraw/zinc/34/30/93/446343093.db2.gz BXAWHJRTIWUIFF-XHSDSOJGSA-N 2 1 330.476 1.812 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000417334736 446346368 /nfs/dbraw/zinc/34/63/68/446346368.db2.gz FWEGVBNMPBPACF-CRAIPNDOSA-N 2 1 330.476 1.827 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000417365790 446350156 /nfs/dbraw/zinc/35/01/56/446350156.db2.gz MNNQJNDLEWFLRV-CABCVRRESA-N 2 1 336.505 1.963 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@H]1CCC[NH2+]C1 ZINC000417504394 446356163 /nfs/dbraw/zinc/35/61/63/446356163.db2.gz NEZSYDBNTKXTHB-OALUTQOASA-N 2 1 344.503 1.850 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000417574613 446365768 /nfs/dbraw/zinc/36/57/68/446365768.db2.gz ZNTPNVYBIDQQHH-SJLPKXTDSA-N 2 1 346.475 1.283 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370646417 446371254 /nfs/dbraw/zinc/37/12/54/446371254.db2.gz UFLIVYCEYYNDQO-WJFTUGDTSA-N 2 1 339.524 1.576 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370646417 446371264 /nfs/dbraw/zinc/37/12/64/446371264.db2.gz UFLIVYCEYYNDQO-WJFTUGDTSA-N 2 1 339.524 1.576 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370646417 446371271 /nfs/dbraw/zinc/37/12/71/446371271.db2.gz UFLIVYCEYYNDQO-WJFTUGDTSA-N 2 1 339.524 1.576 20 0 EDADMP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370646417 446371283 /nfs/dbraw/zinc/37/12/83/446371283.db2.gz UFLIVYCEYYNDQO-WJFTUGDTSA-N 2 1 339.524 1.576 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000365891237 446390988 /nfs/dbraw/zinc/39/09/88/446390988.db2.gz QPSYXJYKWSEFGA-NJAFHUGGSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418072559 446431151 /nfs/dbraw/zinc/43/11/51/446431151.db2.gz KRXMSHJTUUMVNV-AEFFLSMTSA-N 2 1 348.491 1.432 20 0 EDADMP C[C@@H](CC(=O)N1CCC[N@H+](C2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000370774874 446432995 /nfs/dbraw/zinc/43/29/95/446432995.db2.gz TXLUYEUIQXGIFY-INIZCTEOSA-N 2 1 337.508 1.726 20 0 EDADMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc(N2CCOCC2)c1 ZINC000423140480 446438917 /nfs/dbraw/zinc/43/89/17/446438917.db2.gz YPPCPSFJUBNDAY-XUVXKRRUSA-N 2 1 345.487 1.770 20 0 EDADMP [NH3+]C[C@@H]1CCCCN1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000417995594 446410490 /nfs/dbraw/zinc/41/04/90/446410490.db2.gz QGLHJLFSRYTXRV-ZWKOTPCHSA-N 2 1 346.475 1.276 20 0 EDADMP C[C@H](NC(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418006672 446413506 /nfs/dbraw/zinc/41/35/06/446413506.db2.gz MOPBJNXEXNCDDP-BQFCYCMXSA-N 2 1 330.476 1.900 20 0 EDADMP [NH3+]CCCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000423300713 446477394 /nfs/dbraw/zinc/47/73/94/446477394.db2.gz FALMQJXPUILTGA-INIZCTEOSA-N 2 1 342.447 1.021 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000423301822 446480203 /nfs/dbraw/zinc/48/02/03/446480203.db2.gz GPPVCZJIKNSZQI-KRWDZBQOSA-N 2 1 333.476 1.535 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])[C@@H]1c1ccccc1 ZINC000418190957 446453553 /nfs/dbraw/zinc/45/35/53/446453553.db2.gz WVLPWXMRCRQHAL-XIRDDKMYSA-N 2 1 334.464 1.437 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])[C@@H]1c1ccccc1 ZINC000418190957 446453559 /nfs/dbraw/zinc/45/35/59/446453559.db2.gz WVLPWXMRCRQHAL-XIRDDKMYSA-N 2 1 334.464 1.437 20 0 EDADMP C[C@@H]1CN(C(=O)NCCC[NH2+]Cc2cccnc2)CC[N@H+](C2CC2)C1 ZINC000418328310 446501111 /nfs/dbraw/zinc/50/11/11/446501111.db2.gz NPUDYXACVPUUQN-INIZCTEOSA-N 2 1 345.491 1.687 20 0 EDADMP CC(C)CN(C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C(C)C ZINC000420330983 446501211 /nfs/dbraw/zinc/50/12/11/446501211.db2.gz QKNQYQCYSUQBSC-MRXNPFEDSA-N 2 1 325.497 1.567 20 0 EDADMP CC(C)CN(C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C(C)C ZINC000420330983 446501215 /nfs/dbraw/zinc/50/12/15/446501215.db2.gz QKNQYQCYSUQBSC-MRXNPFEDSA-N 2 1 325.497 1.567 20 0 EDADMP C[C@@H](CNC(=O)COC1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000423365191 446503327 /nfs/dbraw/zinc/50/33/27/446503327.db2.gz WEVLXIIOXQASPV-HNNXBMFYSA-N 2 1 331.460 1.318 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC12CCOCC2 ZINC000420335460 446506632 /nfs/dbraw/zinc/50/66/32/446506632.db2.gz UYPFMBIHGBSEQE-SJLPKXTDSA-N 2 1 343.471 1.694 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC12CCOCC2 ZINC000420335460 446506636 /nfs/dbraw/zinc/50/66/36/446506636.db2.gz UYPFMBIHGBSEQE-SJLPKXTDSA-N 2 1 343.471 1.694 20 0 EDADMP CC[C@H]1CN(C(=O)[C@H](N)c2c(F)cccc2F)CC[N@@H+]1CCOC ZINC000423374661 446507033 /nfs/dbraw/zinc/50/70/33/446507033.db2.gz CPZFJDAGPATCIQ-BLLLJJGKSA-N 2 1 341.402 1.534 20 0 EDADMP CC[C@H]1CN(C(=O)[C@H](N)c2c(F)cccc2F)CC[N@H+]1CCOC ZINC000423374661 446507036 /nfs/dbraw/zinc/50/70/36/446507036.db2.gz CPZFJDAGPATCIQ-BLLLJJGKSA-N 2 1 341.402 1.534 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCOc1ccccc1 ZINC000420337937 446508180 /nfs/dbraw/zinc/50/81/80/446508180.db2.gz KJFPJXMIVVBDSJ-SJORKVTESA-N 2 1 331.460 1.503 20 0 EDADMP Cc1nc(N2C[C@H](C)[NH+](C)C[C@H]2C)nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000432816625 446510170 /nfs/dbraw/zinc/51/01/70/446510170.db2.gz AQKAYROITOYBEE-ZQDZILKHSA-N 2 1 347.511 1.238 20 0 EDADMP Cc1nc(N2C[C@H](C)[N@H+](C)C[C@H]2C)nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000432816625 446510175 /nfs/dbraw/zinc/51/01/75/446510175.db2.gz AQKAYROITOYBEE-ZQDZILKHSA-N 2 1 347.511 1.238 20 0 EDADMP Cc1nc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000432816625 446510181 /nfs/dbraw/zinc/51/01/81/446510181.db2.gz AQKAYROITOYBEE-ZQDZILKHSA-N 2 1 347.511 1.238 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418358149 446513802 /nfs/dbraw/zinc/51/38/02/446513802.db2.gz DLVVSVJBSNKWOR-KRWDZBQOSA-N 2 1 341.544 1.419 20 0 EDADMP CN(CCCN(C)C(=O)N[C@@H](C[NH3+])C1CCCCC1)CC[NH+](C)C ZINC000418358149 446513812 /nfs/dbraw/zinc/51/38/12/446513812.db2.gz DLVVSVJBSNKWOR-KRWDZBQOSA-N 2 1 341.544 1.419 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341816 446514218 /nfs/dbraw/zinc/51/42/18/446514218.db2.gz QHWGLYMAOPLERK-YUELXQCFSA-N 2 1 330.432 1.044 20 0 EDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)[C@H]1C ZINC000423517300 446559563 /nfs/dbraw/zinc/55/95/63/446559563.db2.gz XVKSGYBLEJHOQD-QOCJCZBQSA-N 2 1 337.508 1.770 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418483299 446561507 /nfs/dbraw/zinc/56/15/07/446561507.db2.gz ZAPGLGOSIOKVRT-XSLAGTTESA-N 2 1 346.475 1.048 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000418493377 446564735 /nfs/dbraw/zinc/56/47/35/446564735.db2.gz WFSTYPBVCHINMI-MJGOQNOKSA-N 2 1 342.443 1.205 20 0 EDADMP O=C(N[C@@H]1CCC[NH2+]C1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418376327 446519178 /nfs/dbraw/zinc/51/91/78/446519178.db2.gz GBLAARUFBLFLGP-GUDVDZBRSA-N 2 1 342.487 1.902 20 0 EDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000420355941 446535002 /nfs/dbraw/zinc/53/50/02/446535002.db2.gz FSFVEOZDNOBPNL-OAHLLOKOSA-N 2 1 328.478 1.822 20 0 EDADMP [NH3+]C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000420355090 446535103 /nfs/dbraw/zinc/53/51/03/446535103.db2.gz BPZXYRIQDNGGBL-MRXNPFEDSA-N 2 1 325.478 1.462 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000423438940 446538070 /nfs/dbraw/zinc/53/80/70/446538070.db2.gz VWHZQYIAQNIZRV-CVEARBPZSA-N 2 1 340.512 1.009 20 0 EDADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)CCC(=O)N1CC[NH2+]CC1)CCC2 ZINC000420370193 446548256 /nfs/dbraw/zinc/54/82/56/446548256.db2.gz YQQIEYVUIZVOAK-AWEZNQCLSA-N 2 1 336.505 1.837 20 0 EDADMP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423493281 446554270 /nfs/dbraw/zinc/55/42/70/446554270.db2.gz PWISIUHEHGRJPQ-ROUUACIJSA-N 2 1 345.447 1.386 20 0 EDADMP [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)[C@@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC000376626898 446613021 /nfs/dbraw/zinc/61/30/21/446613021.db2.gz LQMHIPMDRQOEKC-NSHGMRRFSA-N 2 1 343.471 1.617 20 0 EDADMP [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC000376626898 446613025 /nfs/dbraw/zinc/61/30/25/446613025.db2.gz LQMHIPMDRQOEKC-NSHGMRRFSA-N 2 1 343.471 1.617 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)[nH+]c1 ZINC000367693852 446575890 /nfs/dbraw/zinc/57/58/90/446575890.db2.gz MPDSFGHXLXLBET-CVEARBPZSA-N 2 1 331.464 1.928 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)[nH+]c1 ZINC000367693852 446575895 /nfs/dbraw/zinc/57/58/95/446575895.db2.gz MPDSFGHXLXLBET-CVEARBPZSA-N 2 1 331.464 1.928 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000420403470 446576977 /nfs/dbraw/zinc/57/69/77/446576977.db2.gz KYWVMBSQKAEPIC-MJGOQNOKSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000420403470 446576982 /nfs/dbraw/zinc/57/69/82/446576982.db2.gz KYWVMBSQKAEPIC-MJGOQNOKSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@@H]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000420403470 446576985 /nfs/dbraw/zinc/57/69/85/446576985.db2.gz KYWVMBSQKAEPIC-MJGOQNOKSA-N 2 1 344.503 1.248 20 0 EDADMP O=C(NC[C@@H]1CC[NH2+]C1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000418520854 446578441 /nfs/dbraw/zinc/57/84/41/446578441.db2.gz HYIKUHJXMQBNKI-LJQANCHMSA-N 2 1 344.503 1.946 20 0 EDADMP C[C@@H]1CCN(C(=O)NC[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418529363 446581964 /nfs/dbraw/zinc/58/19/64/446581964.db2.gz TXLSHLNHTNROOI-AEFFLSMTSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420409404 446583525 /nfs/dbraw/zinc/58/35/25/446583525.db2.gz VNULWNPIQZDDHT-ZTFGCOKTSA-N 2 1 328.460 1.968 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418538661 446585435 /nfs/dbraw/zinc/58/54/35/446585435.db2.gz DWKXBYFVHBMIGW-DOTOQJQBSA-N 2 1 333.480 1.815 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418550530 446590835 /nfs/dbraw/zinc/59/08/35/446590835.db2.gz ARCGNSSHGLIMCQ-YSHGAJCASA-N 2 1 342.487 1.758 20 0 EDADMP C[NH+](C)CC1(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCC1 ZINC000375202407 446640584 /nfs/dbraw/zinc/64/05/84/446640584.db2.gz QKRCENQLPQQPIS-JKSUJKDBSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@@H](C)C1 ZINC000418674532 446644314 /nfs/dbraw/zinc/64/43/14/446644314.db2.gz OTBBKORAIPTKQW-BQFCYCMXSA-N 2 1 348.491 1.563 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000423721229 446659128 /nfs/dbraw/zinc/65/91/28/446659128.db2.gz FHCZGFZCJZPTGF-KRWDZBQOSA-N 2 1 347.459 1.108 20 0 EDADMP C[NH2+]CCCC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000423741924 446672914 /nfs/dbraw/zinc/67/29/14/446672914.db2.gz YRIWVGDSWFSTLB-UHFFFAOYSA-N 2 1 334.464 1.132 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418644946 446630551 /nfs/dbraw/zinc/63/05/51/446630551.db2.gz VOBNHTZCRGXJLG-HFTRVMKXSA-N 2 1 328.460 1.752 20 0 EDADMP C[N@@H+](C[C@@H](O)Cn1cccn1)C1CCN(Cc2ccncc2)CC1 ZINC000371205099 446688571 /nfs/dbraw/zinc/68/85/71/446688571.db2.gz NUUWJWKSYKSEQR-GOSISDBHSA-N 2 1 329.448 1.235 20 0 EDADMP CCC[N@H+](C)C[C@H]1CCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000435338857 446689370 /nfs/dbraw/zinc/68/93/70/446689370.db2.gz KRCHPHLHYFSUPS-CVEARBPZSA-N 2 1 333.480 2.236 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000435338857 446689374 /nfs/dbraw/zinc/68/93/74/446689374.db2.gz KRCHPHLHYFSUPS-CVEARBPZSA-N 2 1 333.480 2.236 20 0 EDADMP [NH3+]CCCn1ccc2cc(C(=O)NCC[N@H+]3CCCOCC3)ccc21 ZINC000423811573 446701816 /nfs/dbraw/zinc/70/18/16/446701816.db2.gz CAZBDMJBGBVHAI-UHFFFAOYSA-N 2 1 344.459 1.442 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@@H+]1Cc1ccccc1 ZINC000423821370 446710007 /nfs/dbraw/zinc/71/00/07/446710007.db2.gz ICZJWMIPUJWLJE-KSZLIROESA-N 2 1 331.460 1.616 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@H+]1Cc1ccccc1 ZINC000423821370 446710008 /nfs/dbraw/zinc/71/00/08/446710008.db2.gz ICZJWMIPUJWLJE-KSZLIROESA-N 2 1 331.460 1.616 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CC[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000423833576 446720581 /nfs/dbraw/zinc/72/05/81/446720581.db2.gz TUKBGAPTNLEGIU-JCGIZDLHSA-N 2 1 329.444 1.699 20 0 EDADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)Nc2cnccn2)CC1 ZINC000371257073 446720845 /nfs/dbraw/zinc/72/08/45/446720845.db2.gz DYHLKXNXXQBJCF-UHFFFAOYSA-N 2 1 328.420 1.722 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CC[NH+](CCOC(C)C)CC1)C2 ZINC000368161592 446678231 /nfs/dbraw/zinc/67/82/31/446678231.db2.gz GJLZEWCGGIBNSM-MRXNPFEDSA-N 2 1 348.491 1.760 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000423750971 446680352 /nfs/dbraw/zinc/68/03/52/446680352.db2.gz FDPZQEDWLDFQGL-GOSISDBHSA-N 2 1 333.480 1.327 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000423750971 446680358 /nfs/dbraw/zinc/68/03/58/446680358.db2.gz FDPZQEDWLDFQGL-GOSISDBHSA-N 2 1 333.480 1.327 20 0 EDADMP O=C(COC1C[NH2+]C1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423900534 446751837 /nfs/dbraw/zinc/75/18/37/446751837.db2.gz KGJUUBVXKFPXOH-HKUYNNGSSA-N 2 1 343.471 1.488 20 0 EDADMP C[NH2+][C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cnn(C)c1 ZINC000423910099 446759532 /nfs/dbraw/zinc/75/95/32/446759532.db2.gz UQIKUVXKBIMPNU-XYPHTWIQSA-N 2 1 331.464 1.156 20 0 EDADMP COC1([C@@H](C)[NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCC1 ZINC000412020162 446788151 /nfs/dbraw/zinc/78/81/51/446788151.db2.gz JXSBMHLBLFATIR-CVEARBPZSA-N 2 1 341.496 1.007 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423958680 446797934 /nfs/dbraw/zinc/79/79/34/446797934.db2.gz QONWAYAAUOHHNQ-MRXNPFEDSA-N 2 1 336.505 1.630 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@]2([NH+](C)C)CCCSC2)CC[N@@H+]1C[C@@H](C)O ZINC000368253678 446741262 /nfs/dbraw/zinc/74/12/62/446741262.db2.gz MOAWIASWIMSUDE-BFYDXBDKSA-N 2 1 343.537 1.117 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@]2([NH+](C)C)CCCSC2)CC[N@H+]1C[C@@H](C)O ZINC000368253678 446741268 /nfs/dbraw/zinc/74/12/68/446741268.db2.gz MOAWIASWIMSUDE-BFYDXBDKSA-N 2 1 343.537 1.117 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371283935 446741309 /nfs/dbraw/zinc/74/13/09/446741309.db2.gz MWVFMXBNZWHAFF-PMPSAXMXSA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371283935 446741315 /nfs/dbraw/zinc/74/13/15/446741315.db2.gz MWVFMXBNZWHAFF-PMPSAXMXSA-N 2 1 326.485 1.269 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418988046 446849752 /nfs/dbraw/zinc/84/97/52/446849752.db2.gz RCYJBJBSDIDEFI-OAHLLOKOSA-N 2 1 338.496 1.002 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)cs1 ZINC000368368235 446815663 /nfs/dbraw/zinc/81/56/63/446815663.db2.gz AIGXVXZWBRKJCL-WBVHZDCISA-N 2 1 348.516 1.874 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCCO1 ZINC000424019485 446826985 /nfs/dbraw/zinc/82/69/85/446826985.db2.gz KEXHQNUZWQLTCB-MSOLQXFVSA-N 2 1 331.460 1.617 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000419016260 446868223 /nfs/dbraw/zinc/86/82/23/446868223.db2.gz FRNWEBXCVPNFCV-YOEHRIQHSA-N 2 1 346.475 1.011 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419020938 446871426 /nfs/dbraw/zinc/87/14/26/446871426.db2.gz GLNPZYLTBJHHHZ-INMHGKMJSA-N 2 1 346.475 1.039 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424457927 446875784 /nfs/dbraw/zinc/87/57/84/446875784.db2.gz RWXBGXYOUUGBSN-INIZCTEOSA-N 2 1 332.448 1.383 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000424457612 446876019 /nfs/dbraw/zinc/87/60/19/446876019.db2.gz RTTYZTVIVRXFDP-WBVHZDCISA-N 2 1 344.459 1.335 20 0 EDADMP CN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCN2CCO[C@H]1C2 ZINC000454545437 446907223 /nfs/dbraw/zinc/90/72/23/446907223.db2.gz MYVFGRMMPDNLEK-PVAVHDDUSA-N 2 1 336.480 1.118 20 0 EDADMP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964741 446935231 /nfs/dbraw/zinc/93/52/31/446935231.db2.gz OEUDPALETVJEIA-WKWVNEEDSA-N 2 1 328.456 1.720 20 0 EDADMP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964741 446935235 /nfs/dbraw/zinc/93/52/35/446935235.db2.gz OEUDPALETVJEIA-WKWVNEEDSA-N 2 1 328.456 1.720 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2CC[NH+](C)[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000368597793 446970590 /nfs/dbraw/zinc/97/05/90/446970590.db2.gz YFTGWLRUBQJHCP-ADHGMGHFSA-N 2 1 337.508 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2CC[NH+](C)[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000368597793 446970594 /nfs/dbraw/zinc/97/05/94/446970594.db2.gz YFTGWLRUBQJHCP-ADHGMGHFSA-N 2 1 337.508 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000368597793 446970598 /nfs/dbraw/zinc/97/05/98/446970598.db2.gz YFTGWLRUBQJHCP-ADHGMGHFSA-N 2 1 337.508 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000368597793 446970602 /nfs/dbraw/zinc/97/06/02/446970602.db2.gz YFTGWLRUBQJHCP-ADHGMGHFSA-N 2 1 337.508 1.673 20 0 EDADMP CCCCOC[C@@H](O)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420974413 446946214 /nfs/dbraw/zinc/94/62/14/446946214.db2.gz DPBZXFJBQIEFTP-IBGZPJMESA-N 2 1 341.540 1.656 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC[N@H+]1C ZINC000371765772 446959360 /nfs/dbraw/zinc/95/93/60/446959360.db2.gz MTEOHZNLJNQKDD-WMZOPIPTSA-N 2 1 347.507 1.924 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419149636 446964492 /nfs/dbraw/zinc/96/44/92/446964492.db2.gz FMPBOPVWGRFYMA-HZPDHXFCSA-N 2 1 340.512 1.247 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)[C@@H](C)C1 ZINC000372056513 446984924 /nfs/dbraw/zinc/98/49/24/446984924.db2.gz QNNYYEPVZNTEPC-OTBWCIGPSA-N 2 1 343.537 1.653 20 0 EDADMP COC1(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)CC[NH2+]CC1 ZINC000372099679 447000519 /nfs/dbraw/zinc/00/05/19/447000519.db2.gz XOQWTFXUGCPAOF-UKRRQHHQSA-N 2 1 337.489 1.626 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)c1cc(N2CC[C@@H]([C@@H](C)O)C2)ncn1 ZINC000413210864 447070636 /nfs/dbraw/zinc/07/06/36/447070636.db2.gz WMWBDJHZWQTFKL-GDBMZVCRSA-N 2 1 344.463 1.715 20 0 EDADMP [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000368811757 447124747 /nfs/dbraw/zinc/12/47/47/447124747.db2.gz ZQBNWQNKMQVWFN-LDLYASANSA-N 2 1 342.487 1.285 20 0 EDADMP C[N@@H+](C[C@H](O)COc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375829258 447084633 /nfs/dbraw/zinc/08/46/33/447084633.db2.gz FSRUGZJDPYIOFK-OALUTQOASA-N 2 1 347.503 1.527 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)c1 ZINC000372493021 447087141 /nfs/dbraw/zinc/08/71/41/447087141.db2.gz GJJAMRJDGPWJNF-UHFFFAOYSA-N 2 1 333.476 1.667 20 0 EDADMP Cc1cc(NCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n2ncnc2n1 ZINC000375851124 447099285 /nfs/dbraw/zinc/09/92/85/447099285.db2.gz KSKPQTWANOJHIA-KFWWJZLASA-N 2 1 329.452 1.307 20 0 EDADMP CCC[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000372574992 447155954 /nfs/dbraw/zinc/15/59/54/447155954.db2.gz ZIYDAILAKQSKHU-CGTJXYLNSA-N 2 1 349.523 1.992 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)CC1 ZINC000375963433 447177838 /nfs/dbraw/zinc/17/78/38/447177838.db2.gz RINYXRCDBJUUTG-MSOLQXFVSA-N 2 1 325.497 1.282 20 0 EDADMP Cc1ccnc(NC[C@H]2CCN([C@@H](C)C(=O)Nc3ncccn3)C2)c1 ZINC000377523200 447179030 /nfs/dbraw/zinc/17/90/30/447179030.db2.gz FAQNUVPRUTUHMS-LSDHHAIUSA-N 2 1 340.431 1.941 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425486970 447186997 /nfs/dbraw/zinc/18/69/97/447186997.db2.gz YBRSMEWNBRILIB-PKOBYXMFSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+](CCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425486970 447187000 /nfs/dbraw/zinc/18/70/00/447187000.db2.gz YBRSMEWNBRILIB-PKOBYXMFSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+](CCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425486970 447187006 /nfs/dbraw/zinc/18/70/06/447187006.db2.gz YBRSMEWNBRILIB-PKOBYXMFSA-N 2 1 342.487 1.997 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000445853210 447198488 /nfs/dbraw/zinc/19/84/88/447198488.db2.gz DKZZEJOGWMFUJB-INIZCTEOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000419476267 447208175 /nfs/dbraw/zinc/20/81/75/447208175.db2.gz GERDVJQLOOEUOE-HNNXBMFYSA-N 2 1 340.512 1.058 20 0 EDADMP COc1cccc(OCC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000372725954 447247762 /nfs/dbraw/zinc/24/77/62/447247762.db2.gz KICVVIXQHITAGO-KRWDZBQOSA-N 2 1 333.476 1.786 20 0 EDADMP COc1cccc(OCC[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000372725954 447247768 /nfs/dbraw/zinc/24/77/68/447247768.db2.gz KICVVIXQHITAGO-KRWDZBQOSA-N 2 1 333.476 1.786 20 0 EDADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[N@@H+](C)CCCS(N)(=O)=O ZINC000372686314 447223313 /nfs/dbraw/zinc/22/33/13/447223313.db2.gz WUSTYKNBQRAAAM-DOTOQJQBSA-N 2 1 339.505 1.507 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCCS(N)(=O)=O ZINC000372686314 447223332 /nfs/dbraw/zinc/22/33/32/447223332.db2.gz WUSTYKNBQRAAAM-DOTOQJQBSA-N 2 1 339.505 1.507 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCCS(N)(=O)=O ZINC000372686314 447223334 /nfs/dbraw/zinc/22/33/34/447223334.db2.gz WUSTYKNBQRAAAM-DOTOQJQBSA-N 2 1 339.505 1.507 20 0 EDADMP COC[C@]1(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000388488629 447478893 /nfs/dbraw/zinc/47/88/93/447478893.db2.gz LUHDKSUETPILQT-ICSRJNTNSA-N 2 1 345.487 1.736 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000458809466 447480393 /nfs/dbraw/zinc/48/03/93/447480393.db2.gz NBYXBJZQZNVMFQ-OAGGEKHMSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000458809466 447480395 /nfs/dbraw/zinc/48/03/95/447480395.db2.gz NBYXBJZQZNVMFQ-OAGGEKHMSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000458809466 447480398 /nfs/dbraw/zinc/48/03/98/447480398.db2.gz NBYXBJZQZNVMFQ-OAGGEKHMSA-N 2 1 328.501 1.203 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390884215 447505000 /nfs/dbraw/zinc/50/50/00/447505000.db2.gz XHPZFUSHPMBHHM-IEBWSBKVSA-N 2 1 333.476 1.911 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390925372 447507152 /nfs/dbraw/zinc/50/71/52/447507152.db2.gz JEFWZXWZEGGOSZ-OTWHNJEPSA-N 2 1 345.487 1.911 20 0 EDADMP CCc1nn(C)cc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392465145 447524046 /nfs/dbraw/zinc/52/40/46/447524046.db2.gz BJFHHFRGRBYYDS-PBHICJAKSA-N 2 1 333.480 1.063 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000427316061 447579955 /nfs/dbraw/zinc/57/99/55/447579955.db2.gz WXXLBNBAYUAABA-MHORFTMASA-N 2 1 337.508 1.866 20 0 EDADMP CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000420027751 447554274 /nfs/dbraw/zinc/55/42/74/447554274.db2.gz LEURMDZVIZAPNI-ZMSDIMECSA-N 2 1 346.475 1.134 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404519271 447600747 /nfs/dbraw/zinc/60/07/47/447600747.db2.gz UZBAWYQDFBKWRP-KYHPRHEASA-N 2 1 331.460 1.485 20 0 EDADMP CCCN(C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CC[NH2+]C1 ZINC000416861932 447697540 /nfs/dbraw/zinc/69/75/40/447697540.db2.gz FKXSORUALBPSJI-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CCOc1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1O ZINC000459424219 447661582 /nfs/dbraw/zinc/66/15/82/447661582.db2.gz JBTIMMJDHLFSRQ-OAHLLOKOSA-N 2 1 335.448 1.468 20 0 EDADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1O ZINC000459424219 447661585 /nfs/dbraw/zinc/66/15/85/447661585.db2.gz JBTIMMJDHLFSRQ-OAHLLOKOSA-N 2 1 335.448 1.468 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000416915451 447707648 /nfs/dbraw/zinc/70/76/48/447707648.db2.gz GKFHEFFOGIASIT-LJISPDSOSA-N 2 1 326.485 1.301 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000416915451 447707654 /nfs/dbraw/zinc/70/76/54/447707654.db2.gz GKFHEFFOGIASIT-LJISPDSOSA-N 2 1 326.485 1.301 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000420210954 447671459 /nfs/dbraw/zinc/67/14/59/447671459.db2.gz DYZYDZIRDPXBRM-AESZEHBQSA-N 2 1 333.480 2.266 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCC2(C)CC[NH2+]CC2)C[C@H](C)O1 ZINC000416914507 447707932 /nfs/dbraw/zinc/70/79/32/447707932.db2.gz FTSBPAGRCQZZMG-GJZGRUSLSA-N 2 1 340.512 1.563 20 0 EDADMP CC(C)c1ccc([C@@H]([NH3+])CNc2cc[nH+]c(N3CCOCC3)n2)cc1 ZINC000420225073 447677389 /nfs/dbraw/zinc/67/73/89/447677389.db2.gz YEBUBRQPJUCOSZ-KRWDZBQOSA-N 2 1 341.459 2.549 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)[C@H]1Sc1ccccc1 ZINC000459470831 447679035 /nfs/dbraw/zinc/67/90/35/447679035.db2.gz AQZWOEXSWVCLQZ-BRSBDYLESA-N 2 1 336.501 1.981 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)[C@H]1Sc1ccccc1 ZINC000459470831 447679039 /nfs/dbraw/zinc/67/90/39/447679039.db2.gz AQZWOEXSWVCLQZ-BRSBDYLESA-N 2 1 336.501 1.981 20 0 EDADMP CN(CC(C)(C)C[NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000416802071 447687081 /nfs/dbraw/zinc/68/70/81/447687081.db2.gz ATBILSRVEPUQRC-UHFFFAOYSA-N 2 1 340.512 1.648 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416925768 447711345 /nfs/dbraw/zinc/71/13/45/447711345.db2.gz SVTCDEMKVQGIGU-QXSJWSMHSA-N 2 1 340.512 1.643 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416925768 447711348 /nfs/dbraw/zinc/71/13/48/447711348.db2.gz SVTCDEMKVQGIGU-QXSJWSMHSA-N 2 1 340.512 1.643 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416927327 447712169 /nfs/dbraw/zinc/71/21/69/447712169.db2.gz VUIXFLWOOVGBTO-OWCLPIDISA-N 2 1 342.528 1.889 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416927327 447712171 /nfs/dbraw/zinc/71/21/71/447712171.db2.gz VUIXFLWOOVGBTO-OWCLPIDISA-N 2 1 342.528 1.889 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000416938072 447716017 /nfs/dbraw/zinc/71/60/17/447716017.db2.gz KKFMMMKZGPNQFC-BRWVUGGUSA-N 2 1 340.512 1.421 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NCC2([NH3+])CCCCC2)C[C@H](C)O1 ZINC000416939413 447716180 /nfs/dbraw/zinc/71/61/80/447716180.db2.gz HKQFGRNNECLFQD-GASCZTMLSA-N 2 1 326.485 1.447 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416939484 447716198 /nfs/dbraw/zinc/71/61/98/447716198.db2.gz NCPWFWZSQIFNLT-BZUAXINKSA-N 2 1 326.485 1.160 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)N1CC[NH2+]CC1 ZINC000422704323 447721708 /nfs/dbraw/zinc/72/17/08/447721708.db2.gz PIMIVPANYOVHAA-HUUCEWRRSA-N 2 1 341.377 1.729 20 0 EDADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496140156 447723683 /nfs/dbraw/zinc/72/36/83/447723683.db2.gz UMWPQAUORFLYEO-QAPCUYQASA-N 2 1 343.512 1.926 20 0 EDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496140156 447723687 /nfs/dbraw/zinc/72/36/87/447723687.db2.gz UMWPQAUORFLYEO-QAPCUYQASA-N 2 1 343.512 1.926 20 0 EDADMP CCN(CCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)S(C)(=O)=O ZINC000422722200 447728477 /nfs/dbraw/zinc/72/84/77/447728477.db2.gz XDIDUASXMREZTO-IAGOWNOFSA-N 2 1 339.505 1.741 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC(OCCC[NH3+])CC2)[nH+]c1 ZINC000417065168 447733169 /nfs/dbraw/zinc/73/31/69/447733169.db2.gz PICBBEZOXKUCDI-UHFFFAOYSA-N 2 1 349.479 1.731 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417254516 447738652 /nfs/dbraw/zinc/73/86/52/447738652.db2.gz DMDFSXUBBPMVOY-HIFRSBDPSA-N 2 1 334.489 1.357 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417254516 447738655 /nfs/dbraw/zinc/73/86/55/447738655.db2.gz DMDFSXUBBPMVOY-HIFRSBDPSA-N 2 1 334.489 1.357 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C(C)C)CC1 ZINC000429373797 447745925 /nfs/dbraw/zinc/74/59/25/447745925.db2.gz UBGGTINQEMBABN-RDJZCZTQSA-N 2 1 339.480 1.106 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000458305825 447765296 /nfs/dbraw/zinc/76/52/96/447765296.db2.gz DULPUUNPVVOIRO-BZUAXINKSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@@H]1CN(CC)CCN1C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000458305825 447765298 /nfs/dbraw/zinc/76/52/98/447765298.db2.gz DULPUUNPVVOIRO-BZUAXINKSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000458318731 447768114 /nfs/dbraw/zinc/76/81/14/447768114.db2.gz CNZZZEABBXJKHO-IAGOWNOFSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000458318731 447768118 /nfs/dbraw/zinc/76/81/18/447768118.db2.gz CNZZZEABBXJKHO-IAGOWNOFSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000458318731 447768121 /nfs/dbraw/zinc/76/81/21/447768121.db2.gz CNZZZEABBXJKHO-IAGOWNOFSA-N 2 1 340.512 1.253 20 0 EDADMP CC[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422956225 447780183 /nfs/dbraw/zinc/78/01/83/447780183.db2.gz OTEGLHVVPKDKGI-ROUUACIJSA-N 2 1 336.524 1.441 20 0 EDADMP COC(=O)c1cn(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)nn1 ZINC000423108967 447806880 /nfs/dbraw/zinc/80/68/80/447806880.db2.gz RYWRKQWMODCSJW-HUUCEWRRSA-N 2 1 329.404 1.148 20 0 EDADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCOCC1 ZINC000423114771 447808558 /nfs/dbraw/zinc/80/85/58/447808558.db2.gz WHPHPYMVHUJJMU-XQLPTFJDSA-N 2 1 335.414 1.760 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000488368563 447845991 /nfs/dbraw/zinc/84/59/91/447845991.db2.gz CSUWVXSOWKOKRL-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000488368563 447845992 /nfs/dbraw/zinc/84/59/92/447845992.db2.gz CSUWVXSOWKOKRL-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000488368563 447845993 /nfs/dbraw/zinc/84/59/93/447845993.db2.gz CSUWVXSOWKOKRL-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H]1C[C@@H](C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000496579302 447825618 /nfs/dbraw/zinc/82/56/18/447825618.db2.gz ZPJSQTPUJGKABH-VKJFTORMSA-N 2 1 341.496 1.678 20 0 EDADMP C[C@@H]1C[C@@H](C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000496579302 447825620 /nfs/dbraw/zinc/82/56/20/447825620.db2.gz ZPJSQTPUJGKABH-VKJFTORMSA-N 2 1 341.496 1.678 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000575982720 447943427 /nfs/dbraw/zinc/94/34/27/447943427.db2.gz KNQUEUMQIVUYTN-HUUCEWRRSA-N 2 1 331.416 1.443 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC[N@@H+]1CCOC ZINC000576043770 447958525 /nfs/dbraw/zinc/95/85/25/447958525.db2.gz ZZSVYRPBSLFWEW-TVFCKZIOSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC[N@H+]1CCOC ZINC000576043770 447958530 /nfs/dbraw/zinc/95/85/30/447958530.db2.gz ZZSVYRPBSLFWEW-TVFCKZIOSA-N 2 1 337.508 1.866 20 0 EDADMP OC[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](CO)CC3)COC2)CC1 ZINC000569943738 447925089 /nfs/dbraw/zinc/92/50/89/447925089.db2.gz CKLKIPMDUOEUCH-ROUUACIJSA-N 2 1 340.508 1.192 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000576160598 447987792 /nfs/dbraw/zinc/98/77/92/447987792.db2.gz QFAOGSNBSYQVPY-XUWVNRHRSA-N 2 1 340.512 1.103 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497273718 448028050 /nfs/dbraw/zinc/02/80/50/448028050.db2.gz CUZRWRILHJCTLV-CKEIUWERSA-N 2 1 327.469 1.431 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497273718 448028056 /nfs/dbraw/zinc/02/80/56/448028056.db2.gz CUZRWRILHJCTLV-CKEIUWERSA-N 2 1 327.469 1.431 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000576403734 448046514 /nfs/dbraw/zinc/04/65/14/448046514.db2.gz XUSHWEHAZDRYSU-IAGOWNOFSA-N 3 1 336.524 1.297 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000531255171 448047959 /nfs/dbraw/zinc/04/79/59/448047959.db2.gz SQWFXWXWYBHKPZ-KRWDZBQOSA-N 2 1 345.553 1.710 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000571075188 448107581 /nfs/dbraw/zinc/10/75/81/448107581.db2.gz OWUHOPZLRPUZNB-FUHWJXTLSA-N 2 1 349.475 1.706 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531570047 448108299 /nfs/dbraw/zinc/10/82/99/448108299.db2.gz TUNKJUAPZCBXDI-BPAFIMBUSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531570047 448108303 /nfs/dbraw/zinc/10/83/03/448108303.db2.gz TUNKJUAPZCBXDI-BPAFIMBUSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531570047 448108308 /nfs/dbraw/zinc/10/83/08/448108308.db2.gz TUNKJUAPZCBXDI-BPAFIMBUSA-N 2 1 343.471 1.222 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000497011672 448121331 /nfs/dbraw/zinc/12/13/31/448121331.db2.gz ABZFPBKKBVETLZ-HNNXBMFYSA-N 2 1 341.415 1.850 20 0 EDADMP FC(F)(F)c1ccn([C@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC000571404100 448147984 /nfs/dbraw/zinc/14/79/84/448147984.db2.gz FPVHLTHZAODJMG-ZDUSSCGKSA-N 2 1 331.386 1.444 20 0 EDADMP Cc1c(-c2cc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)on2)cnn1C ZINC000514603693 448171647 /nfs/dbraw/zinc/17/16/47/448171647.db2.gz XXEWSZSNYGBPJU-AWEZNQCLSA-N 2 1 345.447 1.571 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1)CC2 ZINC000571767867 448202916 /nfs/dbraw/zinc/20/29/16/448202916.db2.gz QQNKGKKSLODEHF-UKRRQHHQSA-N 2 1 334.464 1.058 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1)CC2 ZINC000571767867 448202921 /nfs/dbraw/zinc/20/29/21/448202921.db2.gz QQNKGKKSLODEHF-UKRRQHHQSA-N 2 1 334.464 1.058 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1)CC2 ZINC000571767866 448203499 /nfs/dbraw/zinc/20/34/99/448203499.db2.gz QQNKGKKSLODEHF-HIFRSBDPSA-N 2 1 334.464 1.058 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1)CC2 ZINC000571767866 448203503 /nfs/dbraw/zinc/20/35/03/448203503.db2.gz QQNKGKKSLODEHF-HIFRSBDPSA-N 2 1 334.464 1.058 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000571777577 448205447 /nfs/dbraw/zinc/20/54/47/448205447.db2.gz YYUWZWOYMPBKNL-MWIANEHASA-N 2 1 328.460 1.414 20 0 EDADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H]1CCOC1 ZINC000577075179 448206296 /nfs/dbraw/zinc/20/62/96/448206296.db2.gz AUXBIVUYTGFOTB-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@]1(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000514824449 448208422 /nfs/dbraw/zinc/20/84/22/448208422.db2.gz KCLMBFFEVKTOPG-FUHWJXTLSA-N 2 1 338.496 1.272 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000572056743 448273535 /nfs/dbraw/zinc/27/35/35/448273535.db2.gz ZFXVXYLFWBRURL-IYBDPMFKSA-N 2 1 349.523 1.931 20 0 EDADMP C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[NH+]1CC(C)C1 ZINC000582555077 448273997 /nfs/dbraw/zinc/27/39/97/448273997.db2.gz GSHGMTAJSWZRER-CQSZACIVSA-N 2 1 332.448 1.856 20 0 EDADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000572000146 448258835 /nfs/dbraw/zinc/25/88/35/448258835.db2.gz NQBCNNYPPSAKTR-JKSUJKDBSA-N 2 1 334.468 1.165 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)C[C@@H](C)O1 ZINC000591097608 448261364 /nfs/dbraw/zinc/26/13/64/448261364.db2.gz PCVHBSMOJMGEKF-GPMSIDNRSA-N 2 1 345.487 1.864 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)[C@@H](C)C1 ZINC000532491355 448264183 /nfs/dbraw/zinc/26/41/83/448264183.db2.gz JKCBHIPTDOMYLN-IYJAJMOOSA-N 2 1 344.459 1.561 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000515143224 448265145 /nfs/dbraw/zinc/26/51/45/448265145.db2.gz SFDQFTYGBCUWIN-ZFWWWQNUSA-N 2 1 340.418 1.803 20 0 EDADMP C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000577496849 448314143 /nfs/dbraw/zinc/31/41/43/448314143.db2.gz QCNVPJKHXQUBCN-LPHOPBHVSA-N 2 1 330.476 1.455 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000515234699 448279685 /nfs/dbraw/zinc/27/96/85/448279685.db2.gz MAGOMAPSNYYXCE-UXHICEINSA-N 2 1 347.503 1.106 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000515234699 448279691 /nfs/dbraw/zinc/27/96/91/448279691.db2.gz MAGOMAPSNYYXCE-UXHICEINSA-N 2 1 347.503 1.106 20 0 EDADMP O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000582844788 448357593 /nfs/dbraw/zinc/35/75/93/448357593.db2.gz MZKRKFKVCAKTCR-QZTJIDSGSA-N 2 1 331.460 1.536 20 0 EDADMP O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000582844788 448357597 /nfs/dbraw/zinc/35/75/97/448357597.db2.gz MZKRKFKVCAKTCR-QZTJIDSGSA-N 2 1 331.460 1.536 20 0 EDADMP C[C@@H](c1ccc(NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1)[NH+]1CCOCC1 ZINC000516258626 448404173 /nfs/dbraw/zinc/40/41/73/448404173.db2.gz VZEYCCUFBBKPHC-YOEHRIQHSA-N 2 1 348.447 1.190 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000533485818 448410018 /nfs/dbraw/zinc/41/00/18/448410018.db2.gz RYNTVTYEYXMJFC-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000533485818 448410023 /nfs/dbraw/zinc/41/00/23/448410023.db2.gz RYNTVTYEYXMJFC-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000533485818 448410027 /nfs/dbraw/zinc/41/00/27/448410027.db2.gz RYNTVTYEYXMJFC-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@H](O)C3(C)C)CC2)CC1 ZINC000577744035 448376237 /nfs/dbraw/zinc/37/62/37/448376237.db2.gz CICUUQHVQDVAON-IRXDYDNUSA-N 2 1 337.508 1.458 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1C[NH2+]C1 ZINC000572630286 448427194 /nfs/dbraw/zinc/42/71/94/448427194.db2.gz QVQGWLSQFIVCGN-AWEZNQCLSA-N 2 1 337.489 1.559 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000577998644 448434209 /nfs/dbraw/zinc/43/42/09/448434209.db2.gz LXMKWASYCKDZTH-YJBOKZPZSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000577998644 448434212 /nfs/dbraw/zinc/43/42/12/448434212.db2.gz LXMKWASYCKDZTH-YJBOKZPZSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000516782532 448473882 /nfs/dbraw/zinc/47/38/82/448473882.db2.gz UDMPYJDVSDIJQE-QGZVFWFLSA-N 3 1 345.491 1.052 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000516782532 448473887 /nfs/dbraw/zinc/47/38/87/448473887.db2.gz UDMPYJDVSDIJQE-QGZVFWFLSA-N 2 1 345.491 1.052 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000516782532 448473891 /nfs/dbraw/zinc/47/38/91/448473891.db2.gz UDMPYJDVSDIJQE-QGZVFWFLSA-N 2 1 345.491 1.052 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCOC[C@H]3C)CC2)CC1 ZINC000566449760 448477340 /nfs/dbraw/zinc/47/73/40/448477340.db2.gz RQQQDECFVGOJPC-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCOC[C@@H]3C)CC2)CC1 ZINC000566449761 448477505 /nfs/dbraw/zinc/47/75/05/448477505.db2.gz RQQQDECFVGOJPC-MAUKXSAKSA-N 2 1 337.508 1.724 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000578152172 448473458 /nfs/dbraw/zinc/47/34/58/448473458.db2.gz MONBKHRWXRZKPW-SFHVURJKSA-N 2 1 333.476 1.593 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000578152172 448473461 /nfs/dbraw/zinc/47/34/61/448473461.db2.gz MONBKHRWXRZKPW-SFHVURJKSA-N 2 1 333.476 1.593 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000578152172 448473465 /nfs/dbraw/zinc/47/34/65/448473465.db2.gz MONBKHRWXRZKPW-SFHVURJKSA-N 2 1 333.476 1.593 20 0 EDADMP CC[NH+]1CCC(CNC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000566537168 448500922 /nfs/dbraw/zinc/50/09/22/448500922.db2.gz UQOKHECDRQSJKH-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP O=C(NCC1=CC[NH2+]CC1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000566843693 448567944 /nfs/dbraw/zinc/56/79/44/448567944.db2.gz OAZPWQWEVFNADP-UHFFFAOYSA-N 2 1 344.459 1.603 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000584575084 448574022 /nfs/dbraw/zinc/57/40/22/448574022.db2.gz BPQBSQBRMSAZQN-IYBDPMFKSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1nc(-c2nc[nH]n2)no1 ZINC000584728414 448611987 /nfs/dbraw/zinc/61/19/87/448611987.db2.gz LQBYBKZZVCDPMP-GFCCVEGCSA-N 2 1 330.396 1.508 20 0 EDADMP Cc1[nH+]cc(CNc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)n1C ZINC000567125009 448618607 /nfs/dbraw/zinc/61/86/07/448618607.db2.gz ZXMQXWXTNHCMJV-KRWDZBQOSA-N 2 1 327.432 1.790 20 0 EDADMP Cc1[nH+]cc(CNc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)n1C ZINC000567125009 448618610 /nfs/dbraw/zinc/61/86/10/448618610.db2.gz ZXMQXWXTNHCMJV-KRWDZBQOSA-N 2 1 327.432 1.790 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000538821350 448599600 /nfs/dbraw/zinc/59/96/00/448599600.db2.gz FYAQEHDMQZSVHL-OALUTQOASA-N 2 1 347.503 1.860 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000573564930 448659665 /nfs/dbraw/zinc/65/96/65/448659665.db2.gz MNUXKRMVAQRAKN-ZMSDIMECSA-N 2 1 346.475 1.009 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000542813515 448722338 /nfs/dbraw/zinc/72/23/38/448722338.db2.gz OJYXZIOSEAKYPU-UHFFFAOYSA-N 2 1 339.528 1.045 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)CCN(C)c2cc[nH+]cc2)C[C@H](C)O1 ZINC000542785507 448719600 /nfs/dbraw/zinc/71/96/00/448719600.db2.gz ZMKXJDPWCSEXBO-CALCHBBNSA-N 2 1 348.491 1.914 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000592091865 448677041 /nfs/dbraw/zinc/67/70/41/448677041.db2.gz KNUIINKOQVKVSU-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H](c1ccncc1)[NH+]1CCC(NC[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000579228168 448745244 /nfs/dbraw/zinc/74/52/44/448745244.db2.gz BUAYRABXVUYLRE-BEFAXECRSA-N 2 1 332.492 1.652 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000519169770 448750150 /nfs/dbraw/zinc/75/01/50/448750150.db2.gz BNJVUXNNBMCXLI-PKOBYXMFSA-N 2 1 344.503 1.576 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000567779402 448760236 /nfs/dbraw/zinc/76/02/36/448760236.db2.gz PYQLUTCFVFVLBY-GOSISDBHSA-N 2 1 342.487 1.762 20 0 EDADMP Cc1cccc(C(=O)N2CCC[N@@H+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000519651460 448812026 /nfs/dbraw/zinc/81/20/26/448812026.db2.gz AEHMTNKYHJDSEC-UHFFFAOYSA-N 2 1 330.476 1.048 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529296972 448812180 /nfs/dbraw/zinc/81/21/80/448812180.db2.gz HAXVPCYKEASXFU-RDJZCZTQSA-N 2 1 346.475 1.629 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000574200249 448815357 /nfs/dbraw/zinc/81/53/57/448815357.db2.gz OTNICKXBZMEFLR-AEFFLSMTSA-N 2 1 338.540 1.816 20 0 EDADMP [NH3+]C1CCC(OCC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000579350446 448773880 /nfs/dbraw/zinc/77/38/80/448773880.db2.gz MSBROMPENCVFIH-BHUNQDJPSA-N 2 1 339.480 1.033 20 0 EDADMP COc1ccc2cc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)ccc2c1 ZINC000519658448 448813689 /nfs/dbraw/zinc/81/36/89/448813689.db2.gz XYIGRIZZUSHDJG-FUHWJXTLSA-N 2 1 325.412 1.592 20 0 EDADMP C[NH+](C)CCOCCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000579371748 448781248 /nfs/dbraw/zinc/78/12/48/448781248.db2.gz WOQLRDVECZBQBV-OAHLLOKOSA-N 2 1 327.856 1.637 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000567986819 448793180 /nfs/dbraw/zinc/79/31/80/448793180.db2.gz FCWHLBWTDNDVKN-HUUCEWRRSA-N 2 1 349.504 1.480 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529312372 448816856 /nfs/dbraw/zinc/81/68/56/448816856.db2.gz FCAIKACOIHAEBZ-NJAFHUGGSA-N 2 1 346.475 1.185 20 0 EDADMP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000529372523 448845866 /nfs/dbraw/zinc/84/58/66/448845866.db2.gz CYTNFYATZFXLQT-ROUUACIJSA-N 2 1 346.475 1.281 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC1(C[NH+](C)C)CCC1)n2C ZINC000546697077 448842363 /nfs/dbraw/zinc/84/23/63/448842363.db2.gz GCMMTCWMTCUZAV-UHFFFAOYSA-N 2 1 330.436 1.248 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000547733757 448922583 /nfs/dbraw/zinc/92/25/83/448922583.db2.gz ISLJLWDKQUZZKR-UHFFFAOYSA-N 2 1 343.431 1.313 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000579826133 448886602 /nfs/dbraw/zinc/88/66/02/448886602.db2.gz LAAGBZBGQNFAFX-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)S(C)(=O)=O ZINC000568983300 448948686 /nfs/dbraw/zinc/94/86/86/448948686.db2.gz HDSFDIJZZWHXDN-PBHICJAKSA-N 2 1 340.489 1.166 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000569123939 448966890 /nfs/dbraw/zinc/96/68/90/448966890.db2.gz QRTPZHOISXUBJO-VXNCWWDNSA-N 2 1 337.508 1.722 20 0 EDADMP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000521359119 448974637 /nfs/dbraw/zinc/97/46/37/448974637.db2.gz VLOIAJKUSLNBRS-LJQANCHMSA-N 2 1 344.503 1.392 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000521359119 448974643 /nfs/dbraw/zinc/97/46/43/448974643.db2.gz VLOIAJKUSLNBRS-LJQANCHMSA-N 2 1 344.503 1.392 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000521359119 448974649 /nfs/dbraw/zinc/97/46/49/448974649.db2.gz VLOIAJKUSLNBRS-LJQANCHMSA-N 2 1 344.503 1.392 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC000529830470 448975002 /nfs/dbraw/zinc/97/50/02/448975002.db2.gz GIEJHVMNYHAIOL-WMZOPIPTSA-N 2 1 333.476 1.972 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC000529830470 448975005 /nfs/dbraw/zinc/97/50/05/448975005.db2.gz GIEJHVMNYHAIOL-WMZOPIPTSA-N 2 1 333.476 1.972 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000582074162 449005191 /nfs/dbraw/zinc/00/51/91/449005191.db2.gz DIJWTPFRTWQVQT-ROUUACIJSA-N 2 1 330.476 1.697 20 0 EDADMP C[C@@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[N@H+]1CCCC[C@H]1C ZINC000592956110 449076930 /nfs/dbraw/zinc/07/69/30/449076930.db2.gz DJQVHFYMTRYPPT-QLFBSQMISA-N 2 1 333.480 1.712 20 0 EDADMP Cc1ccc(NCCCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)[nH+]c1 ZINC000592959487 449083091 /nfs/dbraw/zinc/08/30/91/449083091.db2.gz LCIQHZGONMGOMR-AWEZNQCLSA-N 2 1 342.447 1.655 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000582230709 449043542 /nfs/dbraw/zinc/04/35/42/449043542.db2.gz VFDJGMGYLAAYBM-JKSUJKDBSA-N 2 1 330.476 1.732 20 0 EDADMP COc1ccccc1NC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238866 449090885 /nfs/dbraw/zinc/09/08/85/449090885.db2.gz OTEPANQUXGAHEH-INIZCTEOSA-N 2 1 347.459 1.724 20 0 EDADMP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)C1 ZINC000575409757 449095070 /nfs/dbraw/zinc/09/50/70/449095070.db2.gz YPWOHGOODBNWIS-BETUJISGSA-N 2 1 343.431 1.113 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC(N)=O)cc2)[C@H](C)C1 ZINC000604418249 449228150 /nfs/dbraw/zinc/22/81/50/449228150.db2.gz NMCIIYQAXZHBAA-APWZRJJASA-N 2 1 347.503 1.941 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000601955124 449242882 /nfs/dbraw/zinc/24/28/82/449242882.db2.gz SLNLFAXIUGORJO-QUCCMNQESA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000601955124 449242887 /nfs/dbraw/zinc/24/28/87/449242887.db2.gz SLNLFAXIUGORJO-QUCCMNQESA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000601955124 449242897 /nfs/dbraw/zinc/24/28/97/449242897.db2.gz SLNLFAXIUGORJO-QUCCMNQESA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000601955124 449242901 /nfs/dbraw/zinc/24/29/01/449242901.db2.gz SLNLFAXIUGORJO-QUCCMNQESA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000595926988 449257115 /nfs/dbraw/zinc/25/71/15/449257115.db2.gz MTAWNRQKAHBFGJ-RHSMWYFYSA-N 2 1 345.443 1.317 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000590949259 449353928 /nfs/dbraw/zinc/35/39/28/449353928.db2.gz QTGYIHJJABGABE-SFHVURJKSA-N 2 1 343.471 1.630 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000606633034 449494893 /nfs/dbraw/zinc/49/48/93/449494893.db2.gz FAWSINXCWNOJLY-DOTOQJQBSA-N 2 1 340.512 1.373 20 0 EDADMP COC(=O)c1cnc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000600712079 449510547 /nfs/dbraw/zinc/51/05/47/449510547.db2.gz VZKZORYJYNITCX-MAZHCROVSA-N 2 1 334.420 1.124 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4oc(=O)n(C)c4c3)C2)CC1 ZINC000602462216 449608533 /nfs/dbraw/zinc/60/85/33/449608533.db2.gz AUOVXAQWZYGKFM-MRXNPFEDSA-N 2 1 344.459 1.343 20 0 EDADMP C[NH+]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000601007475 449649896 /nfs/dbraw/zinc/64/98/96/449649896.db2.gz NBVDZNCKGRLGKQ-SFHVURJKSA-N 2 1 336.524 1.395 20 0 EDADMP C[NH+]1CCN(CC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000601007475 449649902 /nfs/dbraw/zinc/64/99/02/449649902.db2.gz NBVDZNCKGRLGKQ-SFHVURJKSA-N 2 1 336.524 1.395 20 0 EDADMP Cc1cc2ncc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)n2n1 ZINC000617504290 449650420 /nfs/dbraw/zinc/65/04/20/449650420.db2.gz OLEZGXIYJCJZOF-AWEZNQCLSA-N 2 1 346.479 1.348 20 0 EDADMP Cc1cc2ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)n2n1 ZINC000617504290 449650425 /nfs/dbraw/zinc/65/04/25/449650425.db2.gz OLEZGXIYJCJZOF-AWEZNQCLSA-N 2 1 346.479 1.348 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-c2ccco2)on1 ZINC000617504224 449650943 /nfs/dbraw/zinc/65/09/43/449650943.db2.gz LLDZHKUVROQRCN-ZDUSSCGKSA-N 2 1 334.420 1.936 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-c2ccco2)on1 ZINC000617504224 449650946 /nfs/dbraw/zinc/65/09/46/449650946.db2.gz LLDZHKUVROQRCN-ZDUSSCGKSA-N 2 1 334.420 1.936 20 0 EDADMP Cc1noc(C(F)F)c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617505625 449652766 /nfs/dbraw/zinc/65/27/66/449652766.db2.gz KOQAXBKYHGHUBL-JTQLQIEISA-N 2 1 332.395 1.922 20 0 EDADMP Cc1noc(C(F)F)c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617505625 449652773 /nfs/dbraw/zinc/65/27/73/449652773.db2.gz KOQAXBKYHGHUBL-JTQLQIEISA-N 2 1 332.395 1.922 20 0 EDADMP COC(=O)CC1CCC([NH2+]CCCN2CCC[N@@H+](C)CC2)CC1 ZINC000599028768 449704049 /nfs/dbraw/zinc/70/40/49/449704049.db2.gz XNFOZVOIHVHDSW-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000594920378 449807131 /nfs/dbraw/zinc/80/71/31/449807131.db2.gz FLNUUJWMDUKPAL-IJCBKZNRSA-N 2 1 346.471 1.657 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000594920378 449807135 /nfs/dbraw/zinc/80/71/35/449807135.db2.gz FLNUUJWMDUKPAL-IJCBKZNRSA-N 2 1 346.471 1.657 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCN(C4CCC4)C3=O)C2)CC1 ZINC000602786650 449808575 /nfs/dbraw/zinc/80/85/75/449808575.db2.gz SKIZDRLTOZFUGF-MSOLQXFVSA-N 2 1 334.508 1.240 20 0 EDADMP CS[C@@H]1CN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1[NH+](C)C ZINC000602800827 449819373 /nfs/dbraw/zinc/81/93/73/449819373.db2.gz VQAJQKNAHDBGEV-OTWHNJEPSA-N 2 1 349.544 1.601 20 0 EDADMP C[C@H](NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000612669739 449824640 /nfs/dbraw/zinc/82/46/40/449824640.db2.gz IADKHVDCMOTZFA-QXAKKESOSA-N 2 1 345.487 1.701 20 0 EDADMP C[C@H](NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000612669739 449824645 /nfs/dbraw/zinc/82/46/45/449824645.db2.gz IADKHVDCMOTZFA-QXAKKESOSA-N 2 1 345.487 1.701 20 0 EDADMP COC(=O)c1coc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000597187300 449862742 /nfs/dbraw/zinc/86/27/42/449862742.db2.gz POLGYQVDXBSOET-QGZVFWFLSA-N 2 1 344.411 1.923 20 0 EDADMP COC(=O)c1coc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000597187300 449862750 /nfs/dbraw/zinc/86/27/50/449862750.db2.gz POLGYQVDXBSOET-QGZVFWFLSA-N 2 1 344.411 1.923 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000608629098 449890911 /nfs/dbraw/zinc/89/09/11/449890911.db2.gz FMTRHYARAILQAO-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000608629098 449890925 /nfs/dbraw/zinc/89/09/25/449890925.db2.gz FMTRHYARAILQAO-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000608629098 449890930 /nfs/dbraw/zinc/89/09/30/449890930.db2.gz FMTRHYARAILQAO-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@]3(C)CC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000612892592 449930834 /nfs/dbraw/zinc/93/08/34/449930834.db2.gz LTGZMLIAMACJJN-QGZVFWFLSA-N 2 1 332.452 1.113 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000615146811 449981751 /nfs/dbraw/zinc/98/17/51/449981751.db2.gz VUHBSZWBOKQFHJ-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601476980 450000347 /nfs/dbraw/zinc/00/03/47/450000347.db2.gz NKEDHMWMDNPQJA-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000601476980 450000355 /nfs/dbraw/zinc/00/03/55/450000355.db2.gz NKEDHMWMDNPQJA-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000601476980 450000359 /nfs/dbraw/zinc/00/03/59/450000359.db2.gz NKEDHMWMDNPQJA-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601476980 450000366 /nfs/dbraw/zinc/00/03/66/450000366.db2.gz NKEDHMWMDNPQJA-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601476980 450000372 /nfs/dbraw/zinc/00/03/72/450000372.db2.gz NKEDHMWMDNPQJA-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)cc1 ZINC000615275268 450039710 /nfs/dbraw/zinc/03/97/10/450039710.db2.gz XVZYKPIQBVMEFD-UHFFFAOYSA-N 2 1 330.476 1.068 20 0 EDADMP C/C=C\c1ccc(OC[C@H](O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(OC)c1 ZINC000613210892 450082577 /nfs/dbraw/zinc/08/25/77/450082577.db2.gz UICWNTGMXBCDAJ-GWFLNRCXSA-N 2 1 332.444 1.619 20 0 EDADMP CNC(=O)c1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000610250304 450163823 /nfs/dbraw/zinc/16/38/23/450163823.db2.gz PPZQJICOUYLPHC-IBGZPJMESA-N 2 1 344.503 1.647 20 0 EDADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599657100 450132871 /nfs/dbraw/zinc/13/28/71/450132871.db2.gz CLENIXBTLJFEBC-CQSZACIVSA-N 2 1 334.464 1.804 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)[C@@H](C)C1 ZINC000625329094 450295745 /nfs/dbraw/zinc/29/57/45/450295745.db2.gz BXAYXEPRHMOCGO-JKSUJKDBSA-N 2 1 327.513 1.875 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)[C@@H](C)C1 ZINC000625329094 450295750 /nfs/dbraw/zinc/29/57/50/450295750.db2.gz BXAYXEPRHMOCGO-JKSUJKDBSA-N 2 1 327.513 1.875 20 0 EDADMP COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000603435824 450301384 /nfs/dbraw/zinc/30/13/84/450301384.db2.gz ZOMGSYAXULQMHQ-SRVKXCTJSA-N 2 1 337.445 1.355 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2COc3ccccc32)CC1 ZINC000603442999 450302800 /nfs/dbraw/zinc/30/28/00/450302800.db2.gz GANGUHZVLZOIHE-HNNXBMFYSA-N 2 1 338.411 1.948 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620482201 450501404 /nfs/dbraw/zinc/50/14/04/450501404.db2.gz LFUDXSLDHUPDDH-MSOLQXFVSA-N 2 1 331.460 1.347 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620482201 450501409 /nfs/dbraw/zinc/50/14/09/450501409.db2.gz LFUDXSLDHUPDDH-MSOLQXFVSA-N 2 1 331.460 1.347 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)ccc1OCC(N)=O ZINC000623380491 450509760 /nfs/dbraw/zinc/50/97/60/450509760.db2.gz AZJIXDVWZZSHPC-CQSZACIVSA-N 2 1 335.448 1.522 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1OCC(N)=O ZINC000623380491 450509765 /nfs/dbraw/zinc/50/97/65/450509765.db2.gz AZJIXDVWZZSHPC-CQSZACIVSA-N 2 1 335.448 1.522 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620980577 450569485 /nfs/dbraw/zinc/56/94/85/450569485.db2.gz XJZUNIJOUNYYFK-JKSUJKDBSA-N 2 1 336.480 1.966 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627257526 450585643 /nfs/dbraw/zinc/58/56/43/450585643.db2.gz ISVYEMPMKNVQRI-IRXDYDNUSA-N 2 1 325.497 1.556 20 0 EDADMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(OC)c1OC ZINC000631575999 450663294 /nfs/dbraw/zinc/66/32/94/450663294.db2.gz RKAYZSMFARXCSQ-INIZCTEOSA-N 2 1 349.475 1.909 20 0 EDADMP O=C1CCCN1Cc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000629554608 450733717 /nfs/dbraw/zinc/73/37/17/450733717.db2.gz MUCYXOCOBYJDLB-GOSISDBHSA-N 2 1 331.460 1.355 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000629565242 450738981 /nfs/dbraw/zinc/73/89/81/450738981.db2.gz DELRQIOASKMBAM-ISOUWHGUSA-N 2 1 337.508 1.628 20 0 EDADMP c1c([C@@H]2CCC[N@H+](CC3=CCCOC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000629649792 450770436 /nfs/dbraw/zinc/77/04/36/450770436.db2.gz GMHWPSMAWBXHMP-MRXNPFEDSA-N 2 1 331.464 1.345 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000621641588 450807142 /nfs/dbraw/zinc/80/71/42/450807142.db2.gz OWCQVCGIJVPWSV-OWCLPIDISA-N 2 1 325.497 1.770 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000621641588 450807147 /nfs/dbraw/zinc/80/71/47/450807147.db2.gz OWCQVCGIJVPWSV-OWCLPIDISA-N 2 1 325.497 1.770 20 0 EDADMP CCCn1nccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826214 450799912 /nfs/dbraw/zinc/79/99/12/450799912.db2.gz HYEJAIZOYJGZBE-CVEARBPZSA-N 2 1 333.480 1.943 20 0 EDADMP CCn1cc(CC[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000621775212 450862643 /nfs/dbraw/zinc/86/26/43/450862643.db2.gz ITEOKNHRIUZNPH-DOTOQJQBSA-N 2 1 333.480 1.026 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000635352911 450875945 /nfs/dbraw/zinc/87/59/45/450875945.db2.gz YQZLBINEHHQAPK-ROUUACIJSA-N 2 1 344.459 1.025 20 0 EDADMP COc1ccc(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1O ZINC000633613748 450943514 /nfs/dbraw/zinc/94/35/14/450943514.db2.gz FAMHWQQCZUICLZ-AWEZNQCLSA-N 2 1 337.464 1.332 20 0 EDADMP COc1ccc(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1O ZINC000633613748 450943518 /nfs/dbraw/zinc/94/35/18/450943518.db2.gz FAMHWQQCZUICLZ-AWEZNQCLSA-N 2 1 337.464 1.332 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000631997319 450953108 /nfs/dbraw/zinc/95/31/08/450953108.db2.gz XNDDLWNUZWUABL-OAHLLOKOSA-N 2 1 329.510 1.361 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1(c2cc(C)no2)CC1 ZINC000635464460 450964609 /nfs/dbraw/zinc/96/46/09/450964609.db2.gz IPWZNVPFMRBQJE-MRXNPFEDSA-N 2 1 348.491 1.889 20 0 EDADMP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC1(O)CCOCC1 ZINC000630044080 450977761 /nfs/dbraw/zinc/97/77/61/450977761.db2.gz ZKSJWXCTMGKANA-IRXDYDNUSA-N 2 1 326.481 1.087 20 0 EDADMP C[NH2+]CCOCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000626923171 451006605 /nfs/dbraw/zinc/00/66/05/451006605.db2.gz NJIOEEIZPKCVQO-OAHLLOKOSA-N 2 1 342.871 1.478 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000635536625 451032871 /nfs/dbraw/zinc/03/28/71/451032871.db2.gz WPLQZHDZUHRENE-QGZVFWFLSA-N 2 1 341.496 1.058 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000635543610 451039705 /nfs/dbraw/zinc/03/97/05/451039705.db2.gz UGAGNYCNDCRRLQ-INIZCTEOSA-N 2 1 333.480 1.148 20 0 EDADMP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[NH+](CCCF)CC1 ZINC000627962593 451054950 /nfs/dbraw/zinc/05/49/50/451054950.db2.gz VWFUFDLMLGSSOC-MRXNPFEDSA-N 2 1 343.512 1.708 20 0 EDADMP C[N@@H+](CCNC(=O)NCC1([NH3+])CCOCC1)Cc1ccc(F)cc1 ZINC000626993941 451059304 /nfs/dbraw/zinc/05/93/04/451059304.db2.gz RKEYGAZUBMTAID-UHFFFAOYSA-N 2 1 338.427 1.065 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000622134184 451059439 /nfs/dbraw/zinc/05/94/39/451059439.db2.gz XZVLBKLRHURXBO-CVEARBPZSA-N 2 1 325.497 1.769 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cn1 ZINC000632132664 451061107 /nfs/dbraw/zinc/06/11/07/451061107.db2.gz NEGQONKXPGHQFK-QGZVFWFLSA-N 2 1 327.432 1.361 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000627012414 451077072 /nfs/dbraw/zinc/07/70/72/451077072.db2.gz AFPMQOXNMNGKGZ-NVXWUHKLSA-N 2 1 334.464 1.042 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ncc2c(F)cccn21 ZINC000628051146 451105193 /nfs/dbraw/zinc/10/51/93/451105193.db2.gz XICYUMIBVAAFQP-ZDUSSCGKSA-N 2 1 335.427 1.475 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ncc2c(F)cccn21 ZINC000628051146 451105198 /nfs/dbraw/zinc/10/51/98/451105198.db2.gz XICYUMIBVAAFQP-ZDUSSCGKSA-N 2 1 335.427 1.475 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000628051016 451105604 /nfs/dbraw/zinc/10/56/04/451105604.db2.gz SNYLSNDSZVKXHT-LSDHHAIUSA-N 2 1 327.513 1.968 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000628051016 451105608 /nfs/dbraw/zinc/10/56/08/451105608.db2.gz SNYLSNDSZVKXHT-LSDHHAIUSA-N 2 1 327.513 1.968 20 0 EDADMP CN1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)([NH+]2CCCCC2)CC1 ZINC000635617144 451108052 /nfs/dbraw/zinc/10/80/52/451108052.db2.gz ZNOYWICFECUERR-KRWDZBQOSA-N 2 1 336.524 1.395 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000628068444 451117533 /nfs/dbraw/zinc/11/75/33/451117533.db2.gz BAGGXELDKZGKMR-UHFFFAOYSA-N 2 1 327.432 1.615 20 0 EDADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000635657913 451143310 /nfs/dbraw/zinc/14/33/10/451143310.db2.gz GKQPDBAVBBKLMC-MSOLQXFVSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCOCC2)C[C@H]1Cc1ccccc1 ZINC000627149125 451148350 /nfs/dbraw/zinc/14/83/50/451148350.db2.gz VVVVYPZCPNRJSA-QGZVFWFLSA-N 2 1 346.475 1.063 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC2([NH3+])CCOCC2)C[C@H]1Cc1ccccc1 ZINC000627149125 451148356 /nfs/dbraw/zinc/14/83/56/451148356.db2.gz VVVVYPZCPNRJSA-QGZVFWFLSA-N 2 1 346.475 1.063 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000635741071 451210749 /nfs/dbraw/zinc/21/07/49/451210749.db2.gz ASYQMSLHWZGHDT-QYZOEREBSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000635741071 451210755 /nfs/dbraw/zinc/21/07/55/451210755.db2.gz ASYQMSLHWZGHDT-QYZOEREBSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000635741071 451210758 /nfs/dbraw/zinc/21/07/58/451210758.db2.gz ASYQMSLHWZGHDT-QYZOEREBSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000635750434 451218444 /nfs/dbraw/zinc/21/84/44/451218444.db2.gz RYAYZWYOPJUXNO-SJORKVTESA-N 2 1 338.540 1.449 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C3=CC[C@H]([NH3+])C3)c2)CCO1 ZINC000638082018 451245630 /nfs/dbraw/zinc/24/56/30/451245630.db2.gz SDZFEJZZJVFIFF-KSSFIOAISA-N 2 1 329.444 1.571 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C3=CC[C@H]([NH3+])C3)c2)CCO1 ZINC000638082018 451245633 /nfs/dbraw/zinc/24/56/33/451245633.db2.gz SDZFEJZZJVFIFF-KSSFIOAISA-N 2 1 329.444 1.571 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000638084030 451248241 /nfs/dbraw/zinc/24/82/41/451248241.db2.gz MIHVZIAACRZHFV-RTBURBONSA-N 2 1 344.503 1.533 20 0 EDADMP C[NH+](C)CC[C@@H](NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000638117842 451286835 /nfs/dbraw/zinc/28/68/35/451286835.db2.gz PDOUGQOZNDPZDN-ZWKOTPCHSA-N 2 1 348.535 1.928 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000638117842 451286842 /nfs/dbraw/zinc/28/68/42/451286842.db2.gz PDOUGQOZNDPZDN-ZWKOTPCHSA-N 2 1 348.535 1.928 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638101626 451268008 /nfs/dbraw/zinc/26/80/08/451268008.db2.gz VUYXYEQNDGSDGP-HXUWFJFHSA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(S(N)(=O)=O)cc2F)[C@H](C)C1 ZINC000638114448 451283377 /nfs/dbraw/zinc/28/33/77/451283377.db2.gz JMEAHYFEXPNFPM-WBMJQRKESA-N 2 1 343.468 1.635 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000638120737 451289601 /nfs/dbraw/zinc/28/96/01/451289601.db2.gz CCQRQUXESXHWAN-MOPGFXCFSA-N 2 1 344.503 1.390 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000638120737 451289604 /nfs/dbraw/zinc/28/96/04/451289604.db2.gz CCQRQUXESXHWAN-MOPGFXCFSA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638135369 451308849 /nfs/dbraw/zinc/30/88/49/451308849.db2.gz TXUQSNHHYZPZRP-FGTMMUONSA-N 2 1 331.460 1.473 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000638138068 451312226 /nfs/dbraw/zinc/31/22/26/451312226.db2.gz UUEBHFXVZAYSQD-KRWDZBQOSA-N 2 1 332.492 1.309 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000638139587 451314932 /nfs/dbraw/zinc/31/49/32/451314932.db2.gz MSKLFAKVOFZOFT-KRWDZBQOSA-N 2 1 338.540 1.816 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000638155550 451325731 /nfs/dbraw/zinc/32/57/31/451325731.db2.gz LGRYUVMAKBTQCL-GOSISDBHSA-N 2 1 330.476 1.950 20 0 EDADMP [NH3+]C1(CC(=O)N[C@@H]2CCC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638196310 451350120 /nfs/dbraw/zinc/35/01/20/451350120.db2.gz YJHXJDMHCVMDAH-GOSISDBHSA-N 3 1 344.503 1.628 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000630712984 451354274 /nfs/dbraw/zinc/35/42/74/451354274.db2.gz WGWAPVMPDQAZPQ-RBUKOAKNSA-N 2 1 344.503 1.655 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000630712984 451354281 /nfs/dbraw/zinc/35/42/81/451354281.db2.gz WGWAPVMPDQAZPQ-RBUKOAKNSA-N 2 1 344.503 1.655 20 0 EDADMP Cn1cc(CCC[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cn1 ZINC000638288765 451406796 /nfs/dbraw/zinc/40/67/96/451406796.db2.gz ZFXOXQQPCVWDPQ-KRWDZBQOSA-N 2 1 347.532 1.993 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000638297180 451412399 /nfs/dbraw/zinc/41/23/99/451412399.db2.gz JLPQMYCIASMEAC-UXLLHSPISA-N 2 1 337.851 1.580 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000638297180 451412405 /nfs/dbraw/zinc/41/24/05/451412405.db2.gz JLPQMYCIASMEAC-UXLLHSPISA-N 2 1 337.851 1.580 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C3=CC[C@H]([NH3+])C3)cc2)CC1 ZINC000638299474 451414515 /nfs/dbraw/zinc/41/45/15/451414515.db2.gz BDLOXRKDTYYEGC-KRWDZBQOSA-N 2 1 342.443 1.337 20 0 EDADMP COC[C@]1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCC[NH2+]1 ZINC000638309784 451423297 /nfs/dbraw/zinc/42/32/97/451423297.db2.gz NNGUWJXVZJODFQ-AYBZRNKSSA-N 2 1 335.492 1.620 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)c1 ZINC000638328751 451437058 /nfs/dbraw/zinc/43/70/58/451437058.db2.gz KKHKCPNNNSEJFS-ZWKOTPCHSA-N 2 1 340.427 1.133 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](OC)C2CCOCC2)CC1 ZINC000638359343 451458900 /nfs/dbraw/zinc/45/89/00/451458900.db2.gz KETXKWMYYWWOTI-SFHVURJKSA-N 2 1 327.513 1.435 20 0 EDADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@@]3(OC)CCOC3)cc2)CC1 ZINC000638373825 451470535 /nfs/dbraw/zinc/47/05/35/451470535.db2.gz JXSKWUFPIWPYPR-FQEVSTJZSA-N 2 1 347.503 1.719 20 0 EDADMP O[C@]1(CN[C@H]2CC[N@@H+](CC3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634704983 451481014 /nfs/dbraw/zinc/48/10/14/451481014.db2.gz SQAJAOJNBQLPDW-PMACEKPBSA-N 2 1 329.488 1.697 20 0 EDADMP O[C@]1(CN[C@H]2CC[NH+](CC3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704983 451481016 /nfs/dbraw/zinc/48/10/16/451481016.db2.gz SQAJAOJNBQLPDW-PMACEKPBSA-N 2 1 329.488 1.697 20 0 EDADMP O[C@]1(CN[C@H]2CC[NH+](CC3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704983 451481018 /nfs/dbraw/zinc/48/10/18/451481018.db2.gz SQAJAOJNBQLPDW-PMACEKPBSA-N 2 1 329.488 1.697 20 0 EDADMP CC(C)COC[C@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719357 451499533 /nfs/dbraw/zinc/49/95/33/451499533.db2.gz SLKAULOCRIFDNP-MOPGFXCFSA-N 2 1 336.476 1.247 20 0 EDADMP CC(C)COC[C@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719357 451499538 /nfs/dbraw/zinc/49/95/38/451499538.db2.gz SLKAULOCRIFDNP-MOPGFXCFSA-N 2 1 336.476 1.247 20 0 EDADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000638413458 451499972 /nfs/dbraw/zinc/49/99/72/451499972.db2.gz XHGAHZNFLHJRBC-SNRMKQJTSA-N 2 1 345.487 1.989 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000638448912 451521222 /nfs/dbraw/zinc/52/12/22/451521222.db2.gz UCJISGSNJRZHRS-ZBFHGGJFSA-N 2 1 337.414 1.964 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000638448912 451521226 /nfs/dbraw/zinc/52/12/26/451521226.db2.gz UCJISGSNJRZHRS-ZBFHGGJFSA-N 2 1 337.414 1.964 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NS(=O)(=O)CCC[NH+](C)C)C2)cc1 ZINC000632706370 451530887 /nfs/dbraw/zinc/53/08/87/451530887.db2.gz CWFGYDGEJSAGHR-KRWDZBQOSA-N 2 1 339.505 1.440 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000638514868 451553866 /nfs/dbraw/zinc/55/38/66/451553866.db2.gz XFULXRCPHLPLNN-IBGZPJMESA-N 2 1 344.503 1.261 20 0 EDADMP CO[C@@H](C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)Cc1ccccc1 ZINC000638570566 451581746 /nfs/dbraw/zinc/58/17/46/451581746.db2.gz DSKFCGBFRKJADC-QZTJIDSGSA-N 2 1 333.476 1.421 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638572558 451583804 /nfs/dbraw/zinc/58/38/04/451583804.db2.gz OWOYFPDYXONRKJ-FGTMMUONSA-N 2 1 331.460 1.534 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638572558 451583808 /nfs/dbraw/zinc/58/38/08/451583808.db2.gz OWOYFPDYXONRKJ-FGTMMUONSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@H](C(=O)NC1CCCCC1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640826520 451611677 /nfs/dbraw/zinc/61/16/77/451611677.db2.gz JKPSIKMEHPKAKM-CQSZACIVSA-N 2 1 348.495 1.254 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[NH2+]1 ZINC000638643981 451627844 /nfs/dbraw/zinc/62/78/44/451627844.db2.gz NRXSGGVYTVEBTR-NXHRZFHOSA-N 2 1 330.476 1.232 20 0 EDADMP O=C1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCN1 ZINC000634975423 451633381 /nfs/dbraw/zinc/63/33/81/451633381.db2.gz YFTAINPASPGUSR-QZTJIDSGSA-N 2 1 331.460 1.402 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC[N@H+]1C ZINC000631192997 451635169 /nfs/dbraw/zinc/63/51/69/451635169.db2.gz SNFFQTQRYCKSHS-ZWKOTPCHSA-N 2 1 336.524 1.203 20 0 EDADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(N)nc2N)[C@@H]1c1cccs1 ZINC000638671748 451643145 /nfs/dbraw/zinc/64/31/45/451643145.db2.gz TYCAEJOGNMFTJD-BXUZGUMPSA-N 2 1 332.477 1.536 20 0 EDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(N)nc2N)[C@@H]1c1cccs1 ZINC000638671748 451643148 /nfs/dbraw/zinc/64/31/48/451643148.db2.gz TYCAEJOGNMFTJD-BXUZGUMPSA-N 2 1 332.477 1.536 20 0 EDADMP CN(CCOCC[NH3+])C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000638676652 451646947 /nfs/dbraw/zinc/64/69/47/451646947.db2.gz ZOECYDAYVCZOSE-INIZCTEOSA-N 2 1 337.439 1.471 20 0 EDADMP C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000631222869 451648433 /nfs/dbraw/zinc/64/84/33/451648433.db2.gz VXYKXOJTPZGUGG-MRXNPFEDSA-N 2 1 343.475 1.695 20 0 EDADMP c1nnc([C@@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c2ccccc2)[nH]1 ZINC000635007052 451648549 /nfs/dbraw/zinc/64/85/49/451648549.db2.gz DJWQYMFAQPPYJL-KRWDZBQOSA-N 2 1 335.415 1.811 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638792720 451693371 /nfs/dbraw/zinc/69/33/71/451693371.db2.gz PEFRQLHDPQTCKD-INIZCTEOSA-N 2 1 334.464 1.624 20 0 EDADMP COCC[NH2+]CC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851516 451710116 /nfs/dbraw/zinc/71/01/16/451710116.db2.gz NJFVGYMTUSXYGE-GOSISDBHSA-N 2 1 333.476 1.783 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851556 451710435 /nfs/dbraw/zinc/71/04/35/451710435.db2.gz OMQDJLKNUFWFSL-KURKYZTESA-N 2 1 331.460 1.664 20 0 EDADMP C[C@]1(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C[NH2+]CCO1 ZINC000638852191 451711181 /nfs/dbraw/zinc/71/11/81/451711181.db2.gz VRVCJPQCWALLAB-UYAOXDASSA-N 2 1 345.487 1.926 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCCOCC[NH+](C)C)C2)cc1 ZINC000637078981 451712801 /nfs/dbraw/zinc/71/28/01/451712801.db2.gz QHGVUQWSRJYYAG-GOSISDBHSA-N 2 1 348.491 1.447 20 0 EDADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638987479 451747754 /nfs/dbraw/zinc/74/77/54/451747754.db2.gz RBGZJOYUZKYJAE-JKSUJKDBSA-N 2 1 331.464 1.727 20 0 EDADMP O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCC[NH2+]CC1 ZINC000641092590 451747811 /nfs/dbraw/zinc/74/78/11/451747811.db2.gz YRBJVHWMYFTUKI-HKUYNNGSSA-N 2 1 346.475 1.065 20 0 EDADMP c1c(C[C@H]2CC[NH2+]C2)nnn1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000641180474 451771087 /nfs/dbraw/zinc/77/10/87/451771087.db2.gz GLTBMOAQJZXIER-MRXNPFEDSA-N 2 1 341.459 1.311 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2ccccc2OCCCCO)CC1(C)C ZINC000639134959 451774245 /nfs/dbraw/zinc/77/42/45/451774245.db2.gz ASRSATXCERGGKK-UHFFFAOYSA-N 2 1 349.519 1.954 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000644523977 451839326 /nfs/dbraw/zinc/83/93/26/451839326.db2.gz FICYLERMDNXZQL-KZNAEPCWSA-N 2 1 347.459 1.601 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC(=O)N1CCCCCC1 ZINC000644534004 451847683 /nfs/dbraw/zinc/84/76/83/451847683.db2.gz ZMQJEWUKSJEJFG-IBGZPJMESA-N 2 1 347.503 1.862 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC(=O)N1CCCCCC1 ZINC000644534004 451847688 /nfs/dbraw/zinc/84/76/88/451847688.db2.gz ZMQJEWUKSJEJFG-IBGZPJMESA-N 2 1 347.503 1.862 20 0 EDADMP c1ccc([C@H](CN2C[C@@H]3C[NH2+]C[C@H]3C2)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000639457487 451877991 /nfs/dbraw/zinc/87/79/91/451877991.db2.gz UBJRSQYOANKRPE-ALGQRKQJSA-N 3 1 340.515 1.073 20 0 EDADMP c1ccc([C@H](CN2C[C@@H]3C[NH2+]C[C@H]3C2)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000639457487 451877994 /nfs/dbraw/zinc/87/79/94/451877994.db2.gz UBJRSQYOANKRPE-ALGQRKQJSA-N 3 1 340.515 1.073 20 0 EDADMP COCCO[C@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639550648 451940263 /nfs/dbraw/zinc/94/02/63/451940263.db2.gz YUHAVJLUUFMZIX-PMACEKPBSA-N 2 1 348.487 1.751 20 0 EDADMP COCCO[C@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639550648 451940268 /nfs/dbraw/zinc/94/02/68/451940268.db2.gz YUHAVJLUUFMZIX-PMACEKPBSA-N 2 1 348.487 1.751 20 0 EDADMP COCCO[C@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639550648 451940275 /nfs/dbraw/zinc/94/02/75/451940275.db2.gz YUHAVJLUUFMZIX-PMACEKPBSA-N 2 1 348.487 1.751 20 0 EDADMP COCCO[C@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639550648 451940284 /nfs/dbraw/zinc/94/02/84/451940284.db2.gz YUHAVJLUUFMZIX-PMACEKPBSA-N 2 1 348.487 1.751 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)c1ccccc1Cl ZINC000649279339 451951121 /nfs/dbraw/zinc/95/11/21/451951121.db2.gz HEWFHJSUKURWIO-SWLSCSKDSA-N 2 1 325.840 1.295 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000649304748 451982403 /nfs/dbraw/zinc/98/24/03/451982403.db2.gz FDMIZRGWUWCZET-WBVHZDCISA-N 2 1 344.459 1.388 20 0 EDADMP CC(=O)N1CC[C@]([NH3+])(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000649306727 451983545 /nfs/dbraw/zinc/98/35/45/451983545.db2.gz LJVFYOLFHWECIO-LJQANCHMSA-N 2 1 346.475 1.093 20 0 EDADMP C[N@@H+]1CC[C@@](N)(C(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000649323112 452002234 /nfs/dbraw/zinc/00/22/34/452002234.db2.gz HGOGXKSYKSZRBZ-IBGZPJMESA-N 2 1 330.476 1.142 20 0 EDADMP C[N@H+]1CC[C@@](N)(C(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000649323112 452002237 /nfs/dbraw/zinc/00/22/37/452002237.db2.gz HGOGXKSYKSZRBZ-IBGZPJMESA-N 2 1 330.476 1.142 20 0 EDADMP C[NH+]1CC[C@@](N)(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000649323112 452002243 /nfs/dbraw/zinc/00/22/43/452002243.db2.gz HGOGXKSYKSZRBZ-IBGZPJMESA-N 2 1 330.476 1.142 20 0 EDADMP C[NH+]1CC[C@@](N)(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000649323112 452002250 /nfs/dbraw/zinc/00/22/50/452002250.db2.gz HGOGXKSYKSZRBZ-IBGZPJMESA-N 2 1 330.476 1.142 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000647012687 452004343 /nfs/dbraw/zinc/00/43/43/452004343.db2.gz YMJGFRRYNVTRAY-FGTMMUONSA-N 2 1 331.460 1.473 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000647012687 452004346 /nfs/dbraw/zinc/00/43/46/452004346.db2.gz YMJGFRRYNVTRAY-FGTMMUONSA-N 2 1 331.460 1.473 20 0 EDADMP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000649327000 452006174 /nfs/dbraw/zinc/00/61/74/452006174.db2.gz NIUSDAJFGLERTC-HOTGVXAUSA-N 2 1 331.464 1.047 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000649334092 452014516 /nfs/dbraw/zinc/01/45/16/452014516.db2.gz IAKCHHCYOCNDAH-QGZVFWFLSA-N 2 1 344.503 1.347 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000649334092 452014520 /nfs/dbraw/zinc/01/45/20/452014520.db2.gz IAKCHHCYOCNDAH-QGZVFWFLSA-N 2 1 344.503 1.347 20 0 EDADMP O[C@@H]1CC[C@@H]2C[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC000639676991 452017356 /nfs/dbraw/zinc/01/73/56/452017356.db2.gz FEMZPWQTAWCHMA-WCIQWLHISA-N 2 1 330.472 1.716 20 0 EDADMP O[C@@H]1CC[C@@H]2C[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC000639676991 452017357 /nfs/dbraw/zinc/01/73/57/452017357.db2.gz FEMZPWQTAWCHMA-WCIQWLHISA-N 2 1 330.472 1.716 20 0 EDADMP O[C@@H]1CC[C@@H]2C[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC000639676991 452017358 /nfs/dbraw/zinc/01/73/58/452017358.db2.gz FEMZPWQTAWCHMA-WCIQWLHISA-N 2 1 330.472 1.716 20 0 EDADMP O[C@@H]1CC[C@@H]2C[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC000639676991 452017359 /nfs/dbraw/zinc/01/73/59/452017359.db2.gz FEMZPWQTAWCHMA-WCIQWLHISA-N 2 1 330.472 1.716 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3C[NH2+]CCOC3)c2)C[C@@H](C)O1 ZINC000649337651 452018426 /nfs/dbraw/zinc/01/84/26/452018426.db2.gz CNCADJLRZVTZJM-INMHGKMJSA-N 2 1 347.459 1.470 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000653566581 452019027 /nfs/dbraw/zinc/01/90/27/452019027.db2.gz ZMCXFSPCYHEUBU-OALUTQOASA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000653566581 452019030 /nfs/dbraw/zinc/01/90/30/452019030.db2.gz ZMCXFSPCYHEUBU-OALUTQOASA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000653566581 452019036 /nfs/dbraw/zinc/01/90/36/452019036.db2.gz ZMCXFSPCYHEUBU-OALUTQOASA-N 2 1 335.492 1.132 20 0 EDADMP COCCC1(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC[NH2+]CC1 ZINC000649341647 452020696 /nfs/dbraw/zinc/02/06/96/452020696.db2.gz NLKOZXRJIJTPKY-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP [NH3+]C1(CC(=O)N2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)CCC1 ZINC000647094157 452056874 /nfs/dbraw/zinc/05/68/74/452056874.db2.gz MPHCDIMCPBAZRB-UHFFFAOYSA-N 2 1 345.491 1.854 20 0 EDADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(C(F)F)n[nH]3)C2)CC1 ZINC000639733707 452078835 /nfs/dbraw/zinc/07/88/35/452078835.db2.gz QONWKWJMLVCCBI-JTQLQIEISA-N 2 1 327.379 1.246 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cc(C(F)F)n[nH]3)C2)CC1 ZINC000639733707 452078836 /nfs/dbraw/zinc/07/88/36/452078836.db2.gz QONWKWJMLVCCBI-JTQLQIEISA-N 2 1 327.379 1.246 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417924 452080566 /nfs/dbraw/zinc/08/05/66/452080566.db2.gz OKPKSSZBEHSIJB-OKZBNKHCSA-N 2 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417924 452080572 /nfs/dbraw/zinc/08/05/72/452080572.db2.gz OKPKSSZBEHSIJB-OKZBNKHCSA-N 3 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417924 452080577 /nfs/dbraw/zinc/08/05/77/452080577.db2.gz OKPKSSZBEHSIJB-OKZBNKHCSA-N 3 1 336.524 1.251 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000637806486 452092081 /nfs/dbraw/zinc/09/20/81/452092081.db2.gz LFWLPCYFUYDBNQ-SFHVURJKSA-N 2 1 330.476 1.189 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000637806486 452092088 /nfs/dbraw/zinc/09/20/88/452092088.db2.gz LFWLPCYFUYDBNQ-SFHVURJKSA-N 2 1 330.476 1.189 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637822996 452102343 /nfs/dbraw/zinc/10/23/43/452102343.db2.gz CCXHCMCAHYDLBO-VDZJLULYSA-N 2 1 331.460 1.379 20 0 EDADMP C[NH+](C)CCCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644994568 452103050 /nfs/dbraw/zinc/10/30/50/452103050.db2.gz JZKOJYSOKRZIQD-ZWKOTPCHSA-N 2 1 330.476 1.854 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000637841730 452112257 /nfs/dbraw/zinc/11/22/57/452112257.db2.gz MDAUZTNYADSCIB-IBGZPJMESA-N 2 1 338.455 1.730 20 0 EDADMP C[C@@H](O)C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000653896521 452166081 /nfs/dbraw/zinc/16/60/81/452166081.db2.gz UECXQMRXIXGLQX-MRXNPFEDSA-N 2 1 345.487 1.744 20 0 EDADMP C[C@@H](CO)C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000651956747 452189075 /nfs/dbraw/zinc/18/90/75/452189075.db2.gz DXTKJBZFFCIMJV-HNNXBMFYSA-N 2 1 333.480 1.069 20 0 EDADMP COCC[C@@H](C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637969680 452216184 /nfs/dbraw/zinc/21/61/84/452216184.db2.gz QFLMPCCIGPGTDI-MRXNPFEDSA-N 2 1 333.476 1.911 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(OCC(F)(F)F)c1 ZINC000647493093 452236606 /nfs/dbraw/zinc/23/66/06/452236606.db2.gz UGTMIRMMXXFLFF-UHFFFAOYSA-N 2 1 331.382 1.965 20 0 EDADMP COCC1(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000638014099 452255325 /nfs/dbraw/zinc/25/53/25/452255325.db2.gz FWQXZUQTCVYYHL-UHFFFAOYSA-N 2 1 331.460 1.665 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000663551811 452258104 /nfs/dbraw/zinc/25/81/04/452258104.db2.gz KESOOMKRPLPQRY-HZPDHXFCSA-N 2 1 342.528 1.905 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000641788913 452266120 /nfs/dbraw/zinc/26/61/20/452266120.db2.gz WEZKADDFADNESR-FHWLQOOXSA-N 3 1 338.540 1.103 20 0 EDADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000647541262 452273625 /nfs/dbraw/zinc/27/36/25/452273625.db2.gz VBYORYXQUJQHDO-KRWDZBQOSA-N 2 1 341.459 1.565 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000641798653 452275573 /nfs/dbraw/zinc/27/55/73/452275573.db2.gz GGQZETPMIFHZRQ-GJZGRUSLSA-N 2 1 347.463 1.266 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000641798653 452275583 /nfs/dbraw/zinc/27/55/83/452275583.db2.gz GGQZETPMIFHZRQ-GJZGRUSLSA-N 2 1 347.463 1.266 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N[C@H]3C[NH2+]C[C@H](C)C3)C2)cc(OC)c1 ZINC000647549804 452276445 /nfs/dbraw/zinc/27/64/45/452276445.db2.gz RVOCANQXWLIWOE-HYVNUMGLSA-N 2 1 333.476 1.866 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N[C@H]3C[NH2+]C[C@H](C)C3)C2)cc(OC)c1 ZINC000647549804 452276459 /nfs/dbraw/zinc/27/64/59/452276459.db2.gz RVOCANQXWLIWOE-HYVNUMGLSA-N 2 1 333.476 1.866 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NCCc1cccc2cccnc21 ZINC000641802013 452277484 /nfs/dbraw/zinc/27/74/84/452277484.db2.gz XQJHQTPZXSLBAR-HZPDHXFCSA-N 2 1 326.444 1.609 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641805794 452283119 /nfs/dbraw/zinc/28/31/19/452283119.db2.gz OOAOJJGQDJMRQZ-IRXDYDNUSA-N 2 1 333.476 1.945 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CCO)CC1 ZINC000661495491 452298372 /nfs/dbraw/zinc/29/83/72/452298372.db2.gz VRKZINRDNMWPAU-DOTOQJQBSA-N 2 1 325.497 1.458 20 0 EDADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000639982998 452315440 /nfs/dbraw/zinc/31/54/40/452315440.db2.gz ZRJQUZWGCDMGNI-MRXNPFEDSA-N 2 1 326.481 1.493 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000652120492 452316512 /nfs/dbraw/zinc/31/65/12/452316512.db2.gz WMSAAJMTSPVNHR-GOSISDBHSA-N 2 1 348.491 1.562 20 0 EDADMP C[C@H]1C[C@H](CCNC(=O)N[C@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000659472422 452330429 /nfs/dbraw/zinc/33/04/29/452330429.db2.gz HYQSPMKAAQIGNL-SZMVWBNQSA-N 2 1 330.476 1.948 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000638056570 452340610 /nfs/dbraw/zinc/34/06/10/452340610.db2.gz MWJXEGGBTHVATQ-MAUKXSAKSA-N 2 1 333.476 1.946 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000665763584 452342537 /nfs/dbraw/zinc/34/25/37/452342537.db2.gz GHLAXGZTULUOQY-MAUKXSAKSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000665763584 452342547 /nfs/dbraw/zinc/34/25/47/452342547.db2.gz GHLAXGZTULUOQY-MAUKXSAKSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000647624604 452361106 /nfs/dbraw/zinc/36/11/06/452361106.db2.gz HKQHKLHPGYDZAY-HKUYNNGSSA-N 2 1 337.508 1.699 20 0 EDADMP CC(C)(CNC(=O)[C@@]1(C[NH3+])CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000638070487 452376344 /nfs/dbraw/zinc/37/63/44/452376344.db2.gz YNJRPXMCELMVLU-HXUWFJFHSA-N 2 1 345.487 1.695 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638075434 452387724 /nfs/dbraw/zinc/38/77/24/452387724.db2.gz RKDKDESKBMXIJT-MAUKXSAKSA-N 2 1 343.475 1.403 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638075434 452387726 /nfs/dbraw/zinc/38/77/26/452387726.db2.gz RKDKDESKBMXIJT-MAUKXSAKSA-N 2 1 343.475 1.403 20 0 EDADMP [NH3+]C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCOC1 ZINC000638079141 452391527 /nfs/dbraw/zinc/39/15/27/452391527.db2.gz AZYKCAGMDHTPIA-ICSRJNTNSA-N 2 1 345.487 1.770 20 0 EDADMP COc1cncc(/C=C/CC[N@@H+](C)CC(=O)N2CCN(C)CC2)c1 ZINC000640051173 452395223 /nfs/dbraw/zinc/39/52/23/452395223.db2.gz KHWUAFHRSHPCIK-GQCTYLIASA-N 2 1 332.448 1.199 20 0 EDADMP C[C@H](CCNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000663664604 452404904 /nfs/dbraw/zinc/40/49/04/452404904.db2.gz WNLDEDMGDBTJIJ-QGZVFWFLSA-N 2 1 347.507 1.448 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000654397248 452450846 /nfs/dbraw/zinc/45/08/46/452450846.db2.gz XETOMHSHLOENJI-OTVXOJSOSA-N 2 1 336.505 1.746 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000654397248 452450856 /nfs/dbraw/zinc/45/08/56/452450856.db2.gz XETOMHSHLOENJI-OTVXOJSOSA-N 2 1 336.505 1.746 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)ncn3)CC[C@H]21 ZINC000663720249 452457529 /nfs/dbraw/zinc/45/75/29/452457529.db2.gz HLJZEHVOTGBVNL-HZPDHXFCSA-N 2 1 345.491 1.748 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000659611275 452467168 /nfs/dbraw/zinc/46/71/68/452467168.db2.gz RBEIXQUTZKVORR-YYIAUSFCSA-N 2 1 348.491 1.166 20 0 EDADMP [NH3+]CC1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000659612948 452469481 /nfs/dbraw/zinc/46/94/81/452469481.db2.gz YLTCPSNQRBKJDL-HZPDHXFCSA-N 2 1 336.480 1.010 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645507166 452473548 /nfs/dbraw/zinc/47/35/48/452473548.db2.gz CADPQSORTZDXPT-QGZVFWFLSA-N 2 1 330.476 1.048 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000659635129 452497426 /nfs/dbraw/zinc/49/74/26/452497426.db2.gz AVPFFEVZTLHQFZ-KRWDZBQOSA-N 2 1 332.492 1.944 20 0 EDADMP FC(F)(F)CN1CC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655694216 452515681 /nfs/dbraw/zinc/51/56/81/452515681.db2.gz DKDHPNMCADZARR-ZFWWWQNUSA-N 2 1 335.414 1.714 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)NCc3ccccc3F)C2)C1 ZINC000652346906 452522736 /nfs/dbraw/zinc/52/27/36/452522736.db2.gz LFOISJKCTVHUHS-JZXOWHBKSA-N 2 1 349.450 1.660 20 0 EDADMP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)on1 ZINC000652347488 452524100 /nfs/dbraw/zinc/52/41/00/452524100.db2.gz CAMCXRXGAIVXKG-AJNGGQMLSA-N 2 1 336.436 1.528 20 0 EDADMP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)on1 ZINC000652347488 452524106 /nfs/dbraw/zinc/52/41/06/452524106.db2.gz CAMCXRXGAIVXKG-AJNGGQMLSA-N 2 1 336.436 1.528 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654460850 452527413 /nfs/dbraw/zinc/52/74/13/452527413.db2.gz BQMKBJLUJQBOKP-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654460850 452527419 /nfs/dbraw/zinc/52/74/19/452527419.db2.gz BQMKBJLUJQBOKP-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654460850 452527423 /nfs/dbraw/zinc/52/74/23/452527423.db2.gz BQMKBJLUJQBOKP-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CNC(=O)c1cccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655715016 452531055 /nfs/dbraw/zinc/53/10/55/452531055.db2.gz GDBILSPJBVUQHC-SFHVURJKSA-N 2 1 331.460 1.432 20 0 EDADMP O=C(NCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(F)c1 ZINC000655726924 452539580 /nfs/dbraw/zinc/53/95/80/452539580.db2.gz HOLFLOAHRKACCO-GOSISDBHSA-N 2 1 349.450 1.789 20 0 EDADMP COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652360654 452542724 /nfs/dbraw/zinc/54/27/24/452542724.db2.gz NRAFUWHSZIZVFH-BMGDILEWSA-N 2 1 347.459 1.995 20 0 EDADMP COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652360654 452542731 /nfs/dbraw/zinc/54/27/31/452542731.db2.gz NRAFUWHSZIZVFH-BMGDILEWSA-N 2 1 347.459 1.995 20 0 EDADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCN([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000655730890 452543320 /nfs/dbraw/zinc/54/33/20/452543320.db2.gz VOMVVWKSRAXIEJ-SCTDSRPQSA-N 2 1 339.524 1.719 20 0 EDADMP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000655730890 452543331 /nfs/dbraw/zinc/54/33/31/452543331.db2.gz VOMVVWKSRAXIEJ-SCTDSRPQSA-N 3 1 339.524 1.719 20 0 EDADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000655730890 452543338 /nfs/dbraw/zinc/54/33/38/452543338.db2.gz VOMVVWKSRAXIEJ-SCTDSRPQSA-N 3 1 339.524 1.719 20 0 EDADMP Cc1cn2ccc(NC(=O)C(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)cc2n1 ZINC000657823289 452551500 /nfs/dbraw/zinc/55/15/00/452551500.db2.gz KIFHXFPDXIFKQK-AWEZNQCLSA-N 2 1 343.431 1.381 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654562977 452646157 /nfs/dbraw/zinc/64/61/57/452646157.db2.gz UVHQFLIBDRSRQU-NXOAAHMSSA-N 2 1 340.512 1.658 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654562977 452646166 /nfs/dbraw/zinc/64/61/66/452646166.db2.gz UVHQFLIBDRSRQU-NXOAAHMSSA-N 2 1 340.512 1.658 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654562977 452646176 /nfs/dbraw/zinc/64/61/76/452646176.db2.gz UVHQFLIBDRSRQU-NXOAAHMSSA-N 2 1 340.512 1.658 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654562977 452646183 /nfs/dbraw/zinc/64/61/83/452646183.db2.gz UVHQFLIBDRSRQU-NXOAAHMSSA-N 2 1 340.512 1.658 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654566736 452652958 /nfs/dbraw/zinc/65/29/58/452652958.db2.gz MYWYZAOBCOSMLK-VQHPVUNQSA-N 2 1 342.528 1.904 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654566736 452652964 /nfs/dbraw/zinc/65/29/64/452652964.db2.gz MYWYZAOBCOSMLK-VQHPVUNQSA-N 2 1 342.528 1.904 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654566736 452652972 /nfs/dbraw/zinc/65/29/72/452652972.db2.gz MYWYZAOBCOSMLK-VQHPVUNQSA-N 2 1 342.528 1.904 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654566736 452652981 /nfs/dbraw/zinc/65/29/81/452652981.db2.gz MYWYZAOBCOSMLK-VQHPVUNQSA-N 2 1 342.528 1.904 20 0 EDADMP CC[C@@H]1C[N@H+](CC(=O)N(C)CCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000647936966 452677136 /nfs/dbraw/zinc/67/71/36/452677136.db2.gz OMAXACRBIXDTRM-AEFFLSMTSA-N 2 1 333.476 1.973 20 0 EDADMP CC[C@@H]1C[N@@H+](CC(=O)N(C)CCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000647936966 452677144 /nfs/dbraw/zinc/67/71/44/452677144.db2.gz OMAXACRBIXDTRM-AEFFLSMTSA-N 2 1 333.476 1.973 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H](Cc2ccccc2)C1 ZINC000655931015 452701178 /nfs/dbraw/zinc/70/11/78/452701178.db2.gz FMUCIBLRHMJEDN-KBPBESRZSA-N 2 1 344.381 1.444 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H](Cc2ccccc2)C1 ZINC000655931015 452701183 /nfs/dbraw/zinc/70/11/83/452701183.db2.gz FMUCIBLRHMJEDN-KBPBESRZSA-N 2 1 344.381 1.444 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650219 452746085 /nfs/dbraw/zinc/74/60/85/452746085.db2.gz VDLINHGWOMYETJ-WCXIOVBPSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650219 452746096 /nfs/dbraw/zinc/74/60/96/452746096.db2.gz VDLINHGWOMYETJ-WCXIOVBPSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650219 452746105 /nfs/dbraw/zinc/74/61/05/452746105.db2.gz VDLINHGWOMYETJ-WCXIOVBPSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650219 452746111 /nfs/dbraw/zinc/74/61/11/452746111.db2.gz VDLINHGWOMYETJ-WCXIOVBPSA-N 2 1 340.512 1.467 20 0 EDADMP CCCN(C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000654655416 452763979 /nfs/dbraw/zinc/76/39/79/452763979.db2.gz GTVMODOALCFMQZ-NXOAAHMSSA-N 2 1 340.512 1.610 20 0 EDADMP CCCN(C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000654655416 452763983 /nfs/dbraw/zinc/76/39/83/452763983.db2.gz GTVMODOALCFMQZ-NXOAAHMSSA-N 2 1 340.512 1.610 20 0 EDADMP CCCN(C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000654655416 452763986 /nfs/dbraw/zinc/76/39/86/452763986.db2.gz GTVMODOALCFMQZ-NXOAAHMSSA-N 2 1 340.512 1.610 20 0 EDADMP CCCN(C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000654655416 452763993 /nfs/dbraw/zinc/76/39/93/452763993.db2.gz GTVMODOALCFMQZ-NXOAAHMSSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656220 452767439 /nfs/dbraw/zinc/76/74/39/452767439.db2.gz NYCHWMHZQGNCNF-LJIZCISZSA-N 2 1 326.485 1.124 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656220 452767443 /nfs/dbraw/zinc/76/74/43/452767443.db2.gz NYCHWMHZQGNCNF-LJIZCISZSA-N 2 1 326.485 1.124 20 0 EDADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@]1(O)CCCOC1 ZINC000658316367 452843979 /nfs/dbraw/zinc/84/39/79/452843979.db2.gz OYNZLUWAWAKPMV-PKOBYXMFSA-N 2 1 340.508 1.787 20 0 EDADMP CN(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CCN2CCO[C@H]1C2 ZINC000654734147 452858423 /nfs/dbraw/zinc/85/84/23/452858423.db2.gz BMOUHQUUGCLSBW-TWMKSMIVSA-N 2 1 336.480 1.118 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)o1 ZINC000650596560 452867270 /nfs/dbraw/zinc/86/72/70/452867270.db2.gz QNRNFBWBIHGERP-HNNXBMFYSA-N 2 1 337.464 1.698 20 0 EDADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CCc2ccccc21 ZINC000662151484 452886336 /nfs/dbraw/zinc/88/63/36/452886336.db2.gz IEXJYAHNSKVJEF-GOSISDBHSA-N 2 1 343.471 1.497 20 0 EDADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CCc2ccccc21 ZINC000662151484 452886346 /nfs/dbraw/zinc/88/63/46/452886346.db2.gz IEXJYAHNSKVJEF-GOSISDBHSA-N 2 1 343.471 1.497 20 0 EDADMP CC(C)([NH3+])CCC(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000648177930 452890326 /nfs/dbraw/zinc/89/03/26/452890326.db2.gz BXRYULSVZCJFET-UHFFFAOYSA-N 2 1 332.492 1.614 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCc2ccc(F)cc21 ZINC000650724742 452952506 /nfs/dbraw/zinc/95/25/06/452952506.db2.gz LOTUKYXHXYAANA-CABCVRRESA-N 2 1 333.451 1.985 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977868 452964250 /nfs/dbraw/zinc/96/42/50/452964250.db2.gz MGFANRHYIPRTNT-AEFFLSMTSA-N 2 1 348.466 1.153 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977868 452964262 /nfs/dbraw/zinc/96/42/62/452964262.db2.gz MGFANRHYIPRTNT-AEFFLSMTSA-N 2 1 348.466 1.153 20 0 EDADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000652813904 452971277 /nfs/dbraw/zinc/97/12/77/452971277.db2.gz NGUYTBAYRVDZMZ-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664299245 452977331 /nfs/dbraw/zinc/97/73/31/452977331.db2.gz ZWBGIGHFPKETHZ-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP C(c1nnnn1CC1CCOCC1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293754 453016102 /nfs/dbraw/zinc/01/61/02/453016102.db2.gz NFNYWAGWKMZUFB-QGZVFWFLSA-N 2 1 348.495 1.311 20 0 EDADMP C(c1nnnn1CC1CCOCC1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293754 453016112 /nfs/dbraw/zinc/01/61/12/453016112.db2.gz NFNYWAGWKMZUFB-QGZVFWFLSA-N 2 1 348.495 1.311 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCS[C@H](c3ccccc3)C2)C1 ZINC000666640984 453030499 /nfs/dbraw/zinc/03/04/99/453030499.db2.gz UHMMSYFQSQOEMZ-WBVHZDCISA-N 2 1 333.501 1.974 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)cc1 ZINC000662315828 453033518 /nfs/dbraw/zinc/03/35/18/453033518.db2.gz HJFVMILRCPKXJH-SJORKVTESA-N 2 1 333.476 1.974 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2F)CCO1 ZINC000662319390 453035400 /nfs/dbraw/zinc/03/54/00/453035400.db2.gz MEXPEGOYXXVCQJ-CVEARBPZSA-N 2 1 340.439 1.608 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2F)CCO1 ZINC000662319390 453035407 /nfs/dbraw/zinc/03/54/07/453035407.db2.gz MEXPEGOYXXVCQJ-CVEARBPZSA-N 2 1 340.439 1.608 20 0 EDADMP Cn1cncc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326756 453046173 /nfs/dbraw/zinc/04/61/73/453046173.db2.gz BGKLDGQPFGPOJD-UHFFFAOYSA-N 2 1 328.464 1.990 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000646066100 453079984 /nfs/dbraw/zinc/07/99/84/453079984.db2.gz LEKBOKOUCPQBDD-SJLPKXTDSA-N 2 1 332.492 1.687 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1CCOCC1 ZINC000664443068 453099347 /nfs/dbraw/zinc/09/93/47/453099347.db2.gz BCCGVVMFUYPZDX-LSDHHAIUSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1CCOCC1 ZINC000664443068 453099360 /nfs/dbraw/zinc/09/93/60/453099360.db2.gz BCCGVVMFUYPZDX-LSDHHAIUSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000666753996 453118097 /nfs/dbraw/zinc/11/80/97/453118097.db2.gz DSTMFFDKGFBRBV-MRXNPFEDSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)[NH2+]CC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000662407422 453118856 /nfs/dbraw/zinc/11/88/56/453118856.db2.gz ASXUXLMMTUOTHH-UHFFFAOYSA-N 2 1 325.375 1.098 20 0 EDADMP O=C(NCc1ccc2c[nH+]cn2c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000656366439 453140934 /nfs/dbraw/zinc/14/09/34/453140934.db2.gz VDDSCJLYZKRXPA-QGZVFWFLSA-N 2 1 343.431 1.341 20 0 EDADMP C[C@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)CN1CC[NH+](C)CC1 ZINC000662479752 453193277 /nfs/dbraw/zinc/19/32/77/453193277.db2.gz LZPUSAZRHSCLDP-CYBMUJFWSA-N 2 1 336.505 1.007 20 0 EDADMP CC[C@@H](NC(=O)[C@H](CC)[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662501452 453218177 /nfs/dbraw/zinc/21/81/77/453218177.db2.gz AQDVKDKUMIQWEO-FGTMMUONSA-N 2 1 333.476 1.780 20 0 EDADMP CC[C@@H](NC(=O)[C@H](CC)[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662501452 453218186 /nfs/dbraw/zinc/21/81/86/453218186.db2.gz AQDVKDKUMIQWEO-FGTMMUONSA-N 2 1 333.476 1.780 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000666906525 453230282 /nfs/dbraw/zinc/23/02/82/453230282.db2.gz PIAJSRABVIQLTR-AEFFLSMTSA-N 2 1 346.475 1.953 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)CC(C)(C)O)CC2)CC1 ZINC000655125559 453241757 /nfs/dbraw/zinc/24/17/57/453241757.db2.gz ODAILUBGJMWSLD-OAHLLOKOSA-N 2 1 339.524 1.848 20 0 EDADMP [NH3+]CCn1cc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)nn1 ZINC000662524233 453243046 /nfs/dbraw/zinc/24/30/46/453243046.db2.gz IZKFZPZNSQSILH-UHFFFAOYSA-N 2 1 349.464 1.322 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)cn1 ZINC000648772030 453249318 /nfs/dbraw/zinc/24/93/18/453249318.db2.gz XOKLHZWMTDHKTQ-NVXWUHKLSA-N 2 1 333.480 1.278 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)cn1 ZINC000648772030 453249325 /nfs/dbraw/zinc/24/93/25/453249325.db2.gz XOKLHZWMTDHKTQ-NVXWUHKLSA-N 2 1 333.480 1.278 20 0 EDADMP CCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC000648772030 453249331 /nfs/dbraw/zinc/24/93/31/453249331.db2.gz XOKLHZWMTDHKTQ-NVXWUHKLSA-N 2 1 333.480 1.278 20 0 EDADMP CCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC000648772030 453249338 /nfs/dbraw/zinc/24/93/38/453249338.db2.gz XOKLHZWMTDHKTQ-NVXWUHKLSA-N 2 1 333.480 1.278 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@H]1CCCOC1 ZINC000664617456 453251796 /nfs/dbraw/zinc/25/17/96/453251796.db2.gz LWSVLFASTGVTRW-XHSDSOJGSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@H]1CCCOC1 ZINC000664617456 453251803 /nfs/dbraw/zinc/25/18/03/453251803.db2.gz LWSVLFASTGVTRW-XHSDSOJGSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)[C@@H]1CCCOC1 ZINC000664617453 453252356 /nfs/dbraw/zinc/25/23/56/453252356.db2.gz LWSVLFASTGVTRW-HRCADAONSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)[C@@H]1CCCOC1 ZINC000664617453 453252364 /nfs/dbraw/zinc/25/23/64/453252364.db2.gz LWSVLFASTGVTRW-HRCADAONSA-N 2 1 328.501 1.373 20 0 EDADMP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000662563033 453291481 /nfs/dbraw/zinc/29/14/81/453291481.db2.gz YXCPTYNBDGGNKV-INIZCTEOSA-N 2 1 341.415 1.323 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000662589675 453317190 /nfs/dbraw/zinc/31/71/90/453317190.db2.gz CHDCXLPHIKKGBM-HOCLYGCPSA-N 2 1 333.480 1.658 20 0 EDADMP [NH3+]CCOCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000646397835 453366790 /nfs/dbraw/zinc/36/67/90/453366790.db2.gz YETKLSWCLNTRHZ-UHFFFAOYSA-N 2 1 325.840 1.350 20 0 EDADMP [NH3+]CCOCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000646397835 453366796 /nfs/dbraw/zinc/36/67/96/453366796.db2.gz YETKLSWCLNTRHZ-UHFFFAOYSA-N 2 1 325.840 1.350 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662669318 453383068 /nfs/dbraw/zinc/38/30/68/453383068.db2.gz WYFCKZVGNPBPRI-UONOGXRCSA-N 2 1 331.464 1.623 20 0 EDADMP COc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc1 ZINC000664761649 453385295 /nfs/dbraw/zinc/38/52/95/453385295.db2.gz FBUHASSTNGGHBZ-AWEZNQCLSA-N 2 1 337.468 1.161 20 0 EDADMP COc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc1 ZINC000664761649 453385309 /nfs/dbraw/zinc/38/53/09/453385309.db2.gz FBUHASSTNGGHBZ-AWEZNQCLSA-N 2 1 337.468 1.161 20 0 EDADMP CCC(CC)[C@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)[NH+]1CCOCC1 ZINC000662673406 453388131 /nfs/dbraw/zinc/38/81/31/453388131.db2.gz KPCAZFWEHKVZKW-INIZCTEOSA-N 2 1 337.508 1.901 20 0 EDADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662705923 453427949 /nfs/dbraw/zinc/42/79/49/453427949.db2.gz WHASXSMGZBMBRS-KONPQCLYSA-N 2 1 335.492 1.654 20 0 EDADMP Cc1cc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cn2cc[nH+]c12 ZINC000667146417 453436789 /nfs/dbraw/zinc/43/67/89/453436789.db2.gz LFFSERKLQRVALS-UHFFFAOYSA-N 2 1 346.435 1.126 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000662717924 453441515 /nfs/dbraw/zinc/44/15/15/453441515.db2.gz DVABZGUNBBZGMD-DDBAPUKQSA-N 2 1 331.460 1.520 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000667325734 453557280 /nfs/dbraw/zinc/55/72/80/453557280.db2.gz DBMKMTKTJHMZJG-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000667325734 453557286 /nfs/dbraw/zinc/55/72/86/453557286.db2.gz DBMKMTKTJHMZJG-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000667325734 453557290 /nfs/dbraw/zinc/55/72/90/453557290.db2.gz DBMKMTKTJHMZJG-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1(n2cccn2)CC[NH2+]CC1 ZINC000662836744 453562000 /nfs/dbraw/zinc/56/20/00/453562000.db2.gz DBPIFIYQSZGYEJ-HZPDHXFCSA-N 2 1 331.464 1.095 20 0 EDADMP O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000667331235 453563483 /nfs/dbraw/zinc/56/34/83/453563483.db2.gz XBPZJNUAPWGQEL-SFHVURJKSA-N 2 1 339.443 1.489 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@H](C)[NH3+] ZINC000662861123 453576043 /nfs/dbraw/zinc/57/60/43/453576043.db2.gz XOIFJJFNDDXRTI-QGTPRVQTSA-N 2 1 333.476 1.489 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659029106 453588098 /nfs/dbraw/zinc/58/80/98/453588098.db2.gz SLFCWMZTTAXPSX-QGZVFWFLSA-N 2 1 348.447 1.191 20 0 EDADMP CN(C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901324 453595800 /nfs/dbraw/zinc/59/58/00/453595800.db2.gz VLEBGZZXZYXHHG-LULLPPNCSA-N 2 1 348.535 1.534 20 0 EDADMP CN(C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901324 453595804 /nfs/dbraw/zinc/59/58/04/453595804.db2.gz VLEBGZZXZYXHHG-LULLPPNCSA-N 2 1 348.535 1.534 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000660871081 453625332 /nfs/dbraw/zinc/62/53/32/453625332.db2.gz XGQRSRTXLQISRR-FRFSOERESA-N 2 1 336.480 1.164 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659280525 453697652 /nfs/dbraw/zinc/69/76/52/453697652.db2.gz IHMNINLTJYAFBD-ROUUACIJSA-N 2 1 333.476 1.719 20 0 EDADMP c1ncc(N[C@H]2CC[NH+](C3CC3)C2)nc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000663425251 453795003 /nfs/dbraw/zinc/79/50/03/453795003.db2.gz NZSILNXOODLBEH-OKILXGFUSA-N 2 1 328.464 1.774 20 0 EDADMP c1ncc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000663425251 453795006 /nfs/dbraw/zinc/79/50/06/453795006.db2.gz NZSILNXOODLBEH-OKILXGFUSA-N 2 1 328.464 1.774 20 0 EDADMP c1ncc(N[C@H]2CC[N@H+](C3CC3)C2)nc1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000663425251 453795009 /nfs/dbraw/zinc/79/50/09/453795009.db2.gz NZSILNXOODLBEH-OKILXGFUSA-N 2 1 328.464 1.774 20 0 EDADMP Oc1cccc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000663514556 453813901 /nfs/dbraw/zinc/81/39/01/453813901.db2.gz ZXNUIBZZQKZXHB-MRXNPFEDSA-N 2 1 341.459 1.905 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661409365 453814192 /nfs/dbraw/zinc/81/41/92/453814192.db2.gz VECULTKQMNRANB-CVEARBPZSA-N 2 1 338.496 1.412 20 0 EDADMP CC1(OCC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[NH2+]C1 ZINC000382742890 486695664 /nfs/dbraw/zinc/69/56/64/486695664.db2.gz OWQQRKPELGDGHL-UHFFFAOYSA-N 2 1 331.460 1.488 20 0 EDADMP CC1(C)CN(C(=O)CN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000382721659 486696465 /nfs/dbraw/zinc/69/64/65/486696465.db2.gz NKKFOVFKWHQCMF-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000676287581 486720821 /nfs/dbraw/zinc/72/08/21/486720821.db2.gz VRFTZRMPUXWNBZ-QAPCUYQASA-N 2 1 333.476 1.977 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000676287581 486720824 /nfs/dbraw/zinc/72/08/24/486720824.db2.gz VRFTZRMPUXWNBZ-QAPCUYQASA-N 2 1 333.476 1.977 20 0 EDADMP C[C@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676292119 486723242 /nfs/dbraw/zinc/72/32/42/486723242.db2.gz DPSQUTMLLCJADO-JQHSSLGASA-N 2 1 348.491 1.178 20 0 EDADMP C[C@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676292119 486723246 /nfs/dbraw/zinc/72/32/46/486723246.db2.gz DPSQUTMLLCJADO-JQHSSLGASA-N 2 1 348.491 1.178 20 0 EDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000676802514 486882857 /nfs/dbraw/zinc/88/28/57/486882857.db2.gz HQSRYLACWASWHQ-CABCVRRESA-N 2 1 329.510 1.265 20 0 EDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000676802514 486882861 /nfs/dbraw/zinc/88/28/61/486882861.db2.gz HQSRYLACWASWHQ-CABCVRRESA-N 2 1 329.510 1.265 20 0 EDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000676802514 486882871 /nfs/dbraw/zinc/88/28/71/486882871.db2.gz HQSRYLACWASWHQ-CABCVRRESA-N 2 1 329.510 1.265 20 0 EDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000676802514 486882878 /nfs/dbraw/zinc/88/28/78/486882878.db2.gz HQSRYLACWASWHQ-CABCVRRESA-N 2 1 329.510 1.265 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](CO)[C@H](C)c2ccccc2)CC1 ZINC000680993277 486914880 /nfs/dbraw/zinc/91/48/80/486914880.db2.gz QREVFWGEYFRORV-SOLBZPMBSA-N 2 1 333.476 1.293 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@H+]([C@@H]3CC(=O)N(c4ccccc4)C3=O)C2)CC1 ZINC000677296889 487035948 /nfs/dbraw/zinc/03/59/48/487035948.db2.gz VJAHMHNFEQXFTK-FUHWJXTLSA-N 2 1 341.455 1.982 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1nnn(C(C)(C)C)n1 ZINC000668160249 487125048 /nfs/dbraw/zinc/12/50/48/487125048.db2.gz XAZATBOICNDCDT-HNNXBMFYSA-N 2 1 337.516 1.276 20 0 EDADMP Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000674318936 487235796 /nfs/dbraw/zinc/23/57/96/487235796.db2.gz KINUKEVVPPMHFJ-CQSZACIVSA-N 2 1 334.468 1.674 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532424944 487350018 /nfs/dbraw/zinc/35/00/18/487350018.db2.gz JUSCLGZKPJASFT-YESZJQIVSA-N 2 1 340.512 1.659 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000675177532 487385488 /nfs/dbraw/zinc/38/54/88/487385488.db2.gz UHODRHOKXLQCIR-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)c1cnc(CN(C)[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC000675233565 487391770 /nfs/dbraw/zinc/39/17/70/487391770.db2.gz WUDXNMLTVZPZIW-HUUCEWRRSA-N 2 1 334.464 1.925 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000679825162 487466590 /nfs/dbraw/zinc/46/65/90/487466590.db2.gz DVXAEPZCCAGMNH-ZWKOTPCHSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000679825162 487466591 /nfs/dbraw/zinc/46/65/91/487466591.db2.gz DVXAEPZCCAGMNH-ZWKOTPCHSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000679825162 487466592 /nfs/dbraw/zinc/46/65/92/487466592.db2.gz DVXAEPZCCAGMNH-ZWKOTPCHSA-N 2 1 331.460 1.354 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(N2CCCC2)[nH+]1 ZINC000669555650 485556057 /nfs/dbraw/zinc/55/60/57/485556057.db2.gz WXBXWWPXNFSLMN-SJORKVTESA-N 2 1 343.475 1.884 20 0 EDADMP [NH3+]C/C=C\CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000669570236 485588588 /nfs/dbraw/zinc/58/85/88/485588588.db2.gz DMHOGLRYYBJXBW-AWFCHZOYSA-N 2 1 334.489 1.418 20 0 EDADMP [NH3+]C/C=C\CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000669570236 485588594 /nfs/dbraw/zinc/58/85/94/485588594.db2.gz DMHOGLRYYBJXBW-AWFCHZOYSA-N 2 1 334.489 1.418 20 0 EDADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)C(C)(C)C[NH+](C)C ZINC000669145286 485733938 /nfs/dbraw/zinc/73/39/38/485733938.db2.gz JPLBPSFSUOFWFJ-KGLIPLIRSA-N 2 1 340.512 1.068 20 0 EDADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)C(C)(C)C[NH+](C)C ZINC000669146743 485736170 /nfs/dbraw/zinc/73/61/70/485736170.db2.gz ZCDJDUNZYYUESW-KBPBESRZSA-N 2 1 340.512 1.068 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000669389546 486025646 /nfs/dbraw/zinc/02/56/46/486025646.db2.gz RXGRDJFRTKRECS-RYQLBKOJSA-N 2 1 346.475 1.409 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000669389606 486026033 /nfs/dbraw/zinc/02/60/33/486026033.db2.gz FXISAHABNQWLJA-UONOGXRCSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000669389606 486026040 /nfs/dbraw/zinc/02/60/40/486026040.db2.gz FXISAHABNQWLJA-UONOGXRCSA-N 2 1 336.505 1.875 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1ccccc1OC ZINC000669508820 486291453 /nfs/dbraw/zinc/29/14/53/486291453.db2.gz QDNYTBZHCFUGRX-YOEHRIQHSA-N 2 1 329.400 1.520 20 0 EDADMP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2C)CC1 ZINC000668932428 486358861 /nfs/dbraw/zinc/35/88/61/486358861.db2.gz HHXSPAICGWGBCT-CVEARBPZSA-N 2 1 348.495 1.318 20 0 EDADMP CO[C@@H]1CC[C@@H]2OCCN(C[C@H](O)C[N@@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000305359993 491011119 /nfs/dbraw/zinc/01/11/19/491011119.db2.gz SXTCKXOSERKVJP-ZRNYENFQSA-N 2 1 348.487 1.748 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CSC[NH2+]1 ZINC000166208490 534563758 /nfs/dbraw/zinc/56/37/58/534563758.db2.gz LUGHUGPASAQTRL-JSGCOSHPSA-N 2 1 325.503 1.739 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CSC[NH2+]1 ZINC000166208490 534563765 /nfs/dbraw/zinc/56/37/65/534563765.db2.gz LUGHUGPASAQTRL-JSGCOSHPSA-N 2 1 325.503 1.739 20 0 EDADMP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C(C)C ZINC000153450068 528905921 /nfs/dbraw/zinc/90/59/21/528905921.db2.gz GFSXGWUEDLZCHW-KRWDZBQOSA-N 2 1 325.497 1.865 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000236781743 535117445 /nfs/dbraw/zinc/11/74/45/535117445.db2.gz XQMNZRJQCWRYCA-BRWVUGGUSA-N 2 1 325.497 1.485 20 0 EDADMP CC(C)[C@@](C)(CO)[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000352887333 535310223 /nfs/dbraw/zinc/31/02/23/535310223.db2.gz XIYJROBYOZGZLC-FXAWDEMLSA-N 2 1 347.503 1.888 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000125500688 535515008 /nfs/dbraw/zinc/51/50/08/535515008.db2.gz QLPSCUIFSFQKHV-QGZVFWFLSA-N 2 1 341.544 1.290 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000263366852 535712746 /nfs/dbraw/zinc/71/27/46/535712746.db2.gz WJHKJYDGVLWZJJ-SJLPKXTDSA-N 2 1 332.492 1.466 20 0 EDADMP CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550825 536003160 /nfs/dbraw/zinc/00/31/60/536003160.db2.gz PSUASASBGXYJNB-IAGOWNOFSA-N 2 1 333.501 1.814 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2)cn1 ZINC000333757084 536054550 /nfs/dbraw/zinc/05/45/50/536054550.db2.gz ZYLYSLRKHDNFED-WBVHZDCISA-N 2 1 348.495 1.118 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2)cn1 ZINC000333757084 536054555 /nfs/dbraw/zinc/05/45/55/536054555.db2.gz ZYLYSLRKHDNFED-WBVHZDCISA-N 2 1 348.495 1.118 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237079189 536358873 /nfs/dbraw/zinc/35/88/73/536358873.db2.gz PVCHMVBJMJAPDC-ROUUACIJSA-N 2 1 330.476 1.315 20 0 EDADMP CNC(=O)[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)C[C@@H]1c1cnn(C)c1 ZINC000346863574 536399613 /nfs/dbraw/zinc/39/96/13/536399613.db2.gz BRKSXBHXODXIHA-SJORKVTESA-N 2 1 344.463 1.167 20 0 EDADMP CNC(=O)[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)C[C@@H]1c1cnn(C)c1 ZINC000346863574 536399616 /nfs/dbraw/zinc/39/96/16/536399616.db2.gz BRKSXBHXODXIHA-SJORKVTESA-N 2 1 344.463 1.167 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1F ZINC000261770327 536852590 /nfs/dbraw/zinc/85/25/90/536852590.db2.gz MICPBZVOPNPCRP-FZKQIMNGSA-N 2 1 337.439 1.852 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)cc1F ZINC000261770327 536852596 /nfs/dbraw/zinc/85/25/96/536852596.db2.gz MICPBZVOPNPCRP-FZKQIMNGSA-N 2 1 337.439 1.852 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NC(C)(C)CC[NH+]2CCCCCC2)[N@@H+](C)C1 ZINC000347665821 546516256 /nfs/dbraw/zinc/51/62/56/546516256.db2.gz BFLYJVLZELVXLU-HOTGVXAUSA-N 2 1 325.497 1.866 20 0 EDADMP COC(=O)N1CCC([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000726796736 578361528 /nfs/dbraw/zinc/36/15/28/578361528.db2.gz MTXPGQOMQQEFLF-QGZVFWFLSA-N 2 1 335.448 1.300 20 0 EDADMP COC(=O)N1CCC([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000726796736 578361529 /nfs/dbraw/zinc/36/15/29/578361529.db2.gz MTXPGQOMQQEFLF-QGZVFWFLSA-N 2 1 335.448 1.300 20 0 EDADMP COc1ccccc1C[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000728064079 578542888 /nfs/dbraw/zinc/54/28/88/578542888.db2.gz BJPAVSSPYVWYPN-GOSISDBHSA-N 2 1 333.476 1.270 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000788019679 578548669 /nfs/dbraw/zinc/54/86/69/578548669.db2.gz BLLCLGHBSDPAOL-UHFFFAOYSA-N 2 1 340.512 1.423 20 0 EDADMP CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000733029891 578739261 /nfs/dbraw/zinc/73/92/61/578739261.db2.gz LPTFGOGGUSAKPB-HZPDHXFCSA-N 2 1 325.497 1.317 20 0 EDADMP CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000733029891 578739262 /nfs/dbraw/zinc/73/92/62/578739262.db2.gz LPTFGOGGUSAKPB-HZPDHXFCSA-N 2 1 325.497 1.317 20 0 EDADMP CC(C)C[C@H]1NC(=O)N(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1=O ZINC000738088141 579158456 /nfs/dbraw/zinc/15/84/56/579158456.db2.gz CVFYOPVZRAKNCK-MRXNPFEDSA-N 2 1 338.496 1.963 20 0 EDADMP CC(C)C[C@H]1NC(=O)N(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1=O ZINC000738088141 579158457 /nfs/dbraw/zinc/15/84/57/579158457.db2.gz CVFYOPVZRAKNCK-MRXNPFEDSA-N 2 1 338.496 1.963 20 0 EDADMP Cn1c2ccccc2n(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=O ZINC000755777102 579934786 /nfs/dbraw/zinc/93/47/86/579934786.db2.gz AIAVXRZIIJJIEP-INIZCTEOSA-N 2 1 328.460 1.961 20 0 EDADMP Cn1c2ccccc2n(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=O ZINC000755777102 579934787 /nfs/dbraw/zinc/93/47/87/579934787.db2.gz AIAVXRZIIJJIEP-INIZCTEOSA-N 2 1 328.460 1.961 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763675745 580103924 /nfs/dbraw/zinc/10/39/24/580103924.db2.gz OFHDFCRWXQPAHI-BBWFWOEESA-N 2 1 335.492 1.573 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763675745 580103925 /nfs/dbraw/zinc/10/39/25/580103925.db2.gz OFHDFCRWXQPAHI-BBWFWOEESA-N 2 1 335.492 1.573 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](CCO)C2CC2)CC1 ZINC000771794741 580294135 /nfs/dbraw/zinc/29/41/35/580294135.db2.gz IIBBXMPHSAJNNF-APWZRJJASA-N 2 1 345.487 1.642 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000775504074 580392606 /nfs/dbraw/zinc/39/26/06/580392606.db2.gz RVXREGXTAOZXOM-UHFFFAOYSA-N 2 1 339.480 1.204 20 0 EDADMP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000778968020 580477203 /nfs/dbraw/zinc/47/72/03/580477203.db2.gz JQTJRLCINFCGFS-AWEZNQCLSA-N 2 1 346.397 1.996 20 0 EDADMP Cc1ccccc1NC(=O)CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000779654716 580493489 /nfs/dbraw/zinc/49/34/89/580493489.db2.gz QOXICYLOGVDYAE-OAHLLOKOSA-N 2 1 334.420 1.541 20 0 EDADMP Cc1ccccc1NC(=O)CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000779654716 580493490 /nfs/dbraw/zinc/49/34/90/580493490.db2.gz QOXICYLOGVDYAE-OAHLLOKOSA-N 2 1 334.420 1.541 20 0 EDADMP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000781859927 580558792 /nfs/dbraw/zinc/55/87/92/580558792.db2.gz MAKYGMPXRDOFNR-INIZCTEOSA-N 2 1 325.497 1.556 20 0 EDADMP COC(=O)[C@@]1(NCC[NH+]2CCCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000782495184 580576203 /nfs/dbraw/zinc/57/62/03/580576203.db2.gz WSNIOHXKJHKDBL-HXUWFJFHSA-N 2 1 345.487 1.880 20 0 EDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786801485 580679611 /nfs/dbraw/zinc/67/96/11/580679611.db2.gz RJCSPYNVEAOEEA-RHSMWYFYSA-N 2 1 332.448 1.324 20 0 EDADMP O=C1O[C@]2(CN1C[N@@H+]1CC[C@]3(C1)CCCOC3)C[NH+]1CCC2CC1 ZINC000789545463 580749071 /nfs/dbraw/zinc/74/90/71/580749071.db2.gz LRQPZBACXSXRIK-ROUUACIJSA-N 2 1 335.448 1.363 20 0 EDADMP O=C1O[C@]2(CN1C[N@H+]1CC[C@]3(C1)CCCOC3)C[NH+]1CCC2CC1 ZINC000789545463 580749072 /nfs/dbraw/zinc/74/90/72/580749072.db2.gz LRQPZBACXSXRIK-ROUUACIJSA-N 2 1 335.448 1.363 20 0 EDADMP CC(C)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000794601694 580899489 /nfs/dbraw/zinc/89/94/89/580899489.db2.gz AZEFACSBOIQVJR-OALUTQOASA-N 2 1 333.476 1.498 20 0 EDADMP CN1C[C@H]2CC[NH+](CCCCCC[N@@H+]3CC[C@H]4CN(C)C[C@H]43)[C@H]2C1 ZINC000794948620 580908642 /nfs/dbraw/zinc/90/86/42/580908642.db2.gz KURWUJDQNDUBQR-JVSBHGNQSA-N 2 1 334.552 1.819 20 0 EDADMP CN1C[C@H]2CC[N@@H+](CCCCCC[NH+]3CC[C@H]4CN(C)C[C@H]43)[C@H]2C1 ZINC000794948620 580908643 /nfs/dbraw/zinc/90/86/43/580908643.db2.gz KURWUJDQNDUBQR-JVSBHGNQSA-N 2 1 334.552 1.819 20 0 EDADMP CN1C[C@H]2CC[N@H+](CCCCCC[NH+]3CC[C@H]4CN(C)C[C@H]43)[C@H]2C1 ZINC000794948620 580908644 /nfs/dbraw/zinc/90/86/44/580908644.db2.gz KURWUJDQNDUBQR-JVSBHGNQSA-N 2 1 334.552 1.819 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)COC[C@@H]3CCCO3)C2)CC1 ZINC000799178072 581021446 /nfs/dbraw/zinc/02/14/46/581021446.db2.gz FUDVBERJGRDSAI-SJORKVTESA-N 2 1 326.481 1.351 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)[C@@H]2C1 ZINC000891805079 590628274 /nfs/dbraw/zinc/62/82/74/590628274.db2.gz CZCUHVPKIWRSDN-CRAIPNDOSA-N 2 1 343.475 1.392 20 0 EDADMP CC1(C)OC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)O1 ZINC000893046130 590633542 /nfs/dbraw/zinc/63/35/42/590633542.db2.gz DJVMNHYDPFWGJB-SQNIBIBYSA-N 2 1 334.460 1.611 20 0 EDADMP CC1(C)OC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)O1 ZINC000893046130 590633543 /nfs/dbraw/zinc/63/35/43/590633543.db2.gz DJVMNHYDPFWGJB-SQNIBIBYSA-N 2 1 334.460 1.611 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)Cc2ccccc2C1 ZINC000893191989 590703815 /nfs/dbraw/zinc/70/38/15/590703815.db2.gz ROEGGJZMSWUXQH-QZTJIDSGSA-N 2 1 342.487 1.431 20 0 EDADMP C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893239748 590728237 /nfs/dbraw/zinc/72/82/37/590728237.db2.gz VOYUSYMVNLQRAC-LNRIEFBSSA-N 2 1 326.444 2.000 20 0 EDADMP C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893239748 590728243 /nfs/dbraw/zinc/72/82/43/590728243.db2.gz VOYUSYMVNLQRAC-LNRIEFBSSA-N 2 1 326.444 2.000 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000892099202 590798952 /nfs/dbraw/zinc/79/89/52/590798952.db2.gz FVJHXSPDOQIXFJ-SJLPKXTDSA-N 2 1 348.491 1.493 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000892099202 590798957 /nfs/dbraw/zinc/79/89/57/590798957.db2.gz FVJHXSPDOQIXFJ-SJLPKXTDSA-N 2 1 348.491 1.493 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)CCCO3)CC1 ZINC000892176161 590845626 /nfs/dbraw/zinc/84/56/26/590845626.db2.gz RPLMBWCFILQQAE-SFHVURJKSA-N 2 1 343.471 1.750 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000893432238 590866910 /nfs/dbraw/zinc/86/69/10/590866910.db2.gz VBARNKMBAQKXFG-HNNXBMFYSA-N 2 1 336.455 1.899 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000893432238 590866913 /nfs/dbraw/zinc/86/69/13/590866913.db2.gz VBARNKMBAQKXFG-HNNXBMFYSA-N 2 1 336.455 1.899 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000893432238 590866919 /nfs/dbraw/zinc/86/69/19/590866919.db2.gz VBARNKMBAQKXFG-HNNXBMFYSA-N 2 1 336.455 1.899 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892235554 590878318 /nfs/dbraw/zinc/87/83/18/590878318.db2.gz WCZAWHKQNQQFEN-HMDCTGQHSA-N 2 1 342.455 1.804 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892235554 590878322 /nfs/dbraw/zinc/87/83/22/590878322.db2.gz WCZAWHKQNQQFEN-HMDCTGQHSA-N 2 1 342.455 1.804 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000892301960 590926870 /nfs/dbraw/zinc/92/68/70/590926870.db2.gz KXWUFZXYTVPICU-GDAAHCPNSA-N 2 1 342.487 1.900 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000892306823 590928430 /nfs/dbraw/zinc/92/84/30/590928430.db2.gz HJHSLQRQEPSGEX-CWLKWCNXSA-N 2 1 330.476 1.804 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892321995 590943831 /nfs/dbraw/zinc/94/38/31/590943831.db2.gz GXVZHMWCOKXVDO-BPQIPLTHSA-N 2 1 330.476 1.887 20 0 EDADMP CN1CCN(C[C@@H]([NH2+]CC2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000892397820 591010378 /nfs/dbraw/zinc/01/03/78/591010378.db2.gz TZBCDJNVEGXUMR-HXUWFJFHSA-N 2 1 330.520 1.907 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000892399963 591011845 /nfs/dbraw/zinc/01/18/45/591011845.db2.gz MDPUTFROMYFUOH-ROUUACIJSA-N 2 1 332.492 1.930 20 0 EDADMP CC[C@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000891349118 591054632 /nfs/dbraw/zinc/05/46/32/591054632.db2.gz VNWDGUMFRXNFPD-CEXWTWQISA-N 2 1 342.487 1.969 20 0 EDADMP CCN(CC[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000892535513 591063093 /nfs/dbraw/zinc/06/30/93/591063093.db2.gz FOEQVDHYSGUNEY-KRWDZBQOSA-N 2 1 334.464 1.186 20 0 EDADMP CCN(CC[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000892535513 591063098 /nfs/dbraw/zinc/06/30/98/591063098.db2.gz FOEQVDHYSGUNEY-KRWDZBQOSA-N 2 1 334.464 1.186 20 0 EDADMP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000891461405 591079218 /nfs/dbraw/zinc/07/92/18/591079218.db2.gz MAYLYCGMKRTWHD-KKUMJFAQSA-N 2 1 336.505 1.997 20 0 EDADMP CC(C)([NH3+])CCNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000891464006 591080628 /nfs/dbraw/zinc/08/06/28/591080628.db2.gz ILYMWNDDXJVRPZ-UHFFFAOYSA-N 2 1 348.495 1.020 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000891623147 591154739 /nfs/dbraw/zinc/15/47/39/591154739.db2.gz MFVCEHYCNQCEIN-SJORKVTESA-N 2 1 338.496 1.103 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21)Cc1ccccc1 ZINC000891626678 591156326 /nfs/dbraw/zinc/15/63/26/591156326.db2.gz MTOXFGAYPXPKGD-ZWKOTPCHSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)Cc1ccccc1 ZINC000891626678 591156327 /nfs/dbraw/zinc/15/63/27/591156327.db2.gz MTOXFGAYPXPKGD-ZWKOTPCHSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)Cc1ccccc1 ZINC000891626678 591156328 /nfs/dbraw/zinc/15/63/28/591156328.db2.gz MTOXFGAYPXPKGD-ZWKOTPCHSA-N 2 1 330.476 1.854 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)Cc1ccc(F)cc1 ZINC000891647236 591164737 /nfs/dbraw/zinc/16/47/37/591164737.db2.gz SJRILCKMOLCMJT-SJORKVTESA-N 2 1 334.439 1.793 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCc3sc(C[NH3+])nc3C2)C[N@H+]1C1CC1 ZINC000891662516 591173988 /nfs/dbraw/zinc/17/39/88/591173988.db2.gz YRAFQRWTDGSBNO-GHMZBOCLSA-N 2 1 335.477 1.295 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC23CC[NH+](C)CC3)C[C@H](C)O1 ZINC000891727284 591200815 /nfs/dbraw/zinc/20/08/15/591200815.db2.gz GNYXXTJCSSGTQT-IYBDPMFKSA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@@H](CO)Nc1cc(N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)ncn1 ZINC000894350990 591287010 /nfs/dbraw/zinc/28/70/10/591287010.db2.gz XIEQNRUYUMDUMW-ZNMIVQPWSA-N 2 1 337.468 1.205 20 0 EDADMP CC[C@@H](CO)Nc1cc(N2C[C@@H](C)N(CCOC)[C@@H](C)C2)ncn1 ZINC000894350990 591287011 /nfs/dbraw/zinc/28/70/11/591287011.db2.gz XIEQNRUYUMDUMW-ZNMIVQPWSA-N 2 1 337.468 1.205 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000896221716 591386848 /nfs/dbraw/zinc/38/68/48/591386848.db2.gz VDOVJBBPTFWYAZ-BHIYHBOVSA-N 2 1 344.503 1.432 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)N[C@@H](Cn3ccnc3)c3ccccc3)[C@@H]2C1 ZINC000896480017 591479088 /nfs/dbraw/zinc/47/90/88/591479088.db2.gz UFJMXAZAIKNLBA-OKZBNKHCSA-N 2 1 339.443 1.970 20 0 EDADMP CSC1(CNC(=O)NCC[N@H+]2CCC[C@H]2C)CC[NH+](C)CC1 ZINC000894951309 591496810 /nfs/dbraw/zinc/49/68/10/591496810.db2.gz LRYAMFSOCBTAKJ-CQSZACIVSA-N 2 1 328.526 1.597 20 0 EDADMP COC1CC[NH+](CCNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897548146 591546963 /nfs/dbraw/zinc/54/69/63/591546963.db2.gz AQGLHSNZWJQCIX-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[NH+]1CCC2(CCN2C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000896608671 591551438 /nfs/dbraw/zinc/55/14/38/591551438.db2.gz HZLJPDLLDWRGFE-LSDHHAIUSA-N 2 1 338.521 1.446 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000899025000 591639721 /nfs/dbraw/zinc/63/97/21/591639721.db2.gz XULNIAWGKWBXGK-KRWDZBQOSA-N 2 1 326.400 1.194 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000899025000 591639722 /nfs/dbraw/zinc/63/97/22/591639722.db2.gz XULNIAWGKWBXGK-KRWDZBQOSA-N 2 1 326.400 1.194 20 0 EDADMP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000897736185 591656948 /nfs/dbraw/zinc/65/69/48/591656948.db2.gz YBOHHZFMRUJCTI-CKEIUWERSA-N 2 1 347.463 1.112 20 0 EDADMP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897736185 591656952 /nfs/dbraw/zinc/65/69/52/591656952.db2.gz YBOHHZFMRUJCTI-CKEIUWERSA-N 2 1 347.463 1.112 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000897782212 591666374 /nfs/dbraw/zinc/66/63/74/591666374.db2.gz PUQZWQVQWQJKGV-RTBURBONSA-N 2 1 346.519 1.679 20 0 EDADMP CN(C)CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000897782212 591666378 /nfs/dbraw/zinc/66/63/78/591666378.db2.gz PUQZWQVQWQJKGV-RTBURBONSA-N 2 1 346.519 1.679 20 0 EDADMP CN(C)CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000897782212 591666382 /nfs/dbraw/zinc/66/63/82/591666382.db2.gz PUQZWQVQWQJKGV-RTBURBONSA-N 2 1 346.519 1.679 20 0 EDADMP CN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)CC[NH+](C)C ZINC000897782212 591666385 /nfs/dbraw/zinc/66/63/85/591666385.db2.gz PUQZWQVQWQJKGV-RTBURBONSA-N 2 1 346.519 1.679 20 0 EDADMP CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)CC[NH+](C)C ZINC000897782212 591666388 /nfs/dbraw/zinc/66/63/88/591666388.db2.gz PUQZWQVQWQJKGV-RTBURBONSA-N 2 1 346.519 1.679 20 0 EDADMP C[C@@H]([NH2+]CCCc1nnnn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898037948 591764568 /nfs/dbraw/zinc/76/45/68/591764568.db2.gz AGBSPNXPSMWYPY-NVXWUHKLSA-N 2 1 328.464 1.643 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000899961405 591840129 /nfs/dbraw/zinc/84/01/29/591840129.db2.gz OSLAAXXVGWOTSP-YJBOKZPZSA-N 2 1 335.448 1.380 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](c3ccncc3)C3CC3)cn2)CC1 ZINC000898326684 591859217 /nfs/dbraw/zinc/85/92/17/591859217.db2.gz WYDJVWPGBUMXQK-GOSISDBHSA-N 2 1 338.459 1.864 20 0 EDADMP CC1CCN(c2ccc(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)cn2)CC1 ZINC000900233737 591949597 /nfs/dbraw/zinc/94/95/97/591949597.db2.gz ZNVMJCHROAKONU-VQIMIIECSA-N 2 1 346.475 1.389 20 0 EDADMP CC1CCN(c2ccc(CNC(=O)[C@@]3(C)C[C@@H](O)CN3C)cn2)CC1 ZINC000900233737 591949598 /nfs/dbraw/zinc/94/95/98/591949598.db2.gz ZNVMJCHROAKONU-VQIMIIECSA-N 2 1 346.475 1.389 20 0 EDADMP c1ccc2nc(N3CC[NH2+]CC[NH2+]CC3)c(N3CCCCC3)nc2c1 ZINC000900369349 591998557 /nfs/dbraw/zinc/99/85/57/591998557.db2.gz GXCJMAJAQJYQBN-UHFFFAOYSA-N 2 1 340.475 1.619 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000900379098 592001678 /nfs/dbraw/zinc/00/16/78/592001678.db2.gz FULOQDSCQMANKE-HZPDHXFCSA-N 2 1 341.496 1.354 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000900379098 592001679 /nfs/dbraw/zinc/00/16/79/592001679.db2.gz FULOQDSCQMANKE-HZPDHXFCSA-N 2 1 341.496 1.354 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000900410246 592010981 /nfs/dbraw/zinc/01/09/81/592010981.db2.gz RULKTKDKFBGDLZ-SFHVURJKSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000900410246 592010984 /nfs/dbraw/zinc/01/09/84/592010984.db2.gz RULKTKDKFBGDLZ-SFHVURJKSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000900410246 592010987 /nfs/dbraw/zinc/01/09/87/592010987.db2.gz RULKTKDKFBGDLZ-SFHVURJKSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000900427433 592015778 /nfs/dbraw/zinc/01/57/78/592015778.db2.gz ZQNSUEQLTOMZHC-SFHVURJKSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000900427433 592015780 /nfs/dbraw/zinc/01/57/80/592015780.db2.gz ZQNSUEQLTOMZHC-SFHVURJKSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000900427433 592015782 /nfs/dbraw/zinc/01/57/82/592015782.db2.gz ZQNSUEQLTOMZHC-SFHVURJKSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000900440092 592019194 /nfs/dbraw/zinc/01/91/94/592019194.db2.gz HQXVIDBZBAEFJF-GOSISDBHSA-N 2 1 336.524 1.489 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nnc(C2CC2)o1 ZINC000900480119 592030231 /nfs/dbraw/zinc/03/02/31/592030231.db2.gz BZPUEQCTJXRNGO-AWEZNQCLSA-N 2 1 335.452 1.435 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900601533 592065693 /nfs/dbraw/zinc/06/56/93/592065693.db2.gz XYNCCHJGVHLPMA-GMNCBBECSA-N 2 1 349.519 1.963 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)CCCC[NH+](C)C)C1 ZINC000900769425 592119082 /nfs/dbraw/zinc/11/90/82/592119082.db2.gz MEVNCTQFJZYUKL-HNNXBMFYSA-N 2 1 327.469 1.062 20 0 EDADMP COC(=O)N1CCC([NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000903117572 592123413 /nfs/dbraw/zinc/12/34/13/592123413.db2.gz VCASXRBFYADKIO-KONPQCLYSA-N 2 1 339.480 1.287 20 0 EDADMP CCC(=O)N1CCC([NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000903118986 592123510 /nfs/dbraw/zinc/12/35/10/592123510.db2.gz POFDNXZOLXIYBC-RWQQGDIJSA-N 2 1 337.508 1.457 20 0 EDADMP C[C@@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900801533 592143343 /nfs/dbraw/zinc/14/33/43/592143343.db2.gz BLYKBNVFEOTNKS-PBHICJAKSA-N 2 1 343.475 1.655 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000900896348 592160293 /nfs/dbraw/zinc/16/02/93/592160293.db2.gz GKIMUFYVFRKNHO-IMFGXOCKSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000900896348 592160294 /nfs/dbraw/zinc/16/02/94/592160294.db2.gz GKIMUFYVFRKNHO-IMFGXOCKSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000900896348 592160295 /nfs/dbraw/zinc/16/02/95/592160295.db2.gz GKIMUFYVFRKNHO-IMFGXOCKSA-N 2 1 345.487 1.565 20 0 EDADMP C(c1nc2c(o1)CCCC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903505457 592181934 /nfs/dbraw/zinc/18/19/34/592181934.db2.gz CABGDLGBLAMWFO-IYBDPMFKSA-N 2 1 330.476 1.954 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(C(F)(F)F)cn1)C2 ZINC000903492926 592185845 /nfs/dbraw/zinc/18/58/45/592185845.db2.gz LRKHUNKJSSITKY-ZOWXZIJZSA-N 2 1 343.349 1.813 20 0 EDADMP O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)NC(C1CC1)C1CC1 ZINC000903509610 592189874 /nfs/dbraw/zinc/18/98/74/592189874.db2.gz KMAGVFHQMYHGMC-HDICACEKSA-N 2 1 346.519 1.192 20 0 EDADMP CC[C@H](C)CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562620 592210650 /nfs/dbraw/zinc/21/06/50/592210650.db2.gz QUJZJMJFRLHTHQ-CWRNSKLLSA-N 2 1 329.510 1.263 20 0 EDADMP CC[C@H](C)CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562620 592210653 /nfs/dbraw/zinc/21/06/53/592210653.db2.gz QUJZJMJFRLHTHQ-CWRNSKLLSA-N 2 1 329.510 1.263 20 0 EDADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000901119439 592239435 /nfs/dbraw/zinc/23/94/35/592239435.db2.gz QQOSBSLOUWFSPU-MANSERQUSA-N 2 1 349.519 1.887 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cc1C ZINC000904388385 592241874 /nfs/dbraw/zinc/24/18/74/592241874.db2.gz IGXKAWJIEXFFAX-KHYOSLBOSA-N 2 1 346.427 1.494 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906663873 592245884 /nfs/dbraw/zinc/24/58/84/592245884.db2.gz IMZJVCGHOPEMIX-HUUCEWRRSA-N 2 1 330.432 1.169 20 0 EDADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906668241 592249972 /nfs/dbraw/zinc/24/99/72/592249972.db2.gz LPLDBGYYNSAVOM-INIZCTEOSA-N 2 1 346.475 1.762 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906668241 592249974 /nfs/dbraw/zinc/24/99/74/592249974.db2.gz LPLDBGYYNSAVOM-INIZCTEOSA-N 2 1 346.475 1.762 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC2(C)C)cc1 ZINC000906668682 592250081 /nfs/dbraw/zinc/25/00/81/592250081.db2.gz OQFZZQCXLDGCPI-UHFFFAOYSA-N 2 1 346.475 1.810 20 0 EDADMP FC(F)(F)c1cc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)[nH]n1 ZINC000904449694 592263845 /nfs/dbraw/zinc/26/38/45/592263845.db2.gz NRKSRTHAKUVUGB-LBPRGKRZSA-N 2 1 341.337 1.854 20 0 EDADMP C[N@@H+](C[C@H](O)COCc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725617 592284675 /nfs/dbraw/zinc/28/46/75/592284675.db2.gz DSGMWGOMUNUUJP-RBUKOAKNSA-N 2 1 348.487 1.655 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000904607897 592295493 /nfs/dbraw/zinc/29/54/93/592295493.db2.gz VRLUFHGERRXYTL-IAGOWNOFSA-N 2 1 346.475 1.943 20 0 EDADMP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000903733500 592296393 /nfs/dbraw/zinc/29/63/93/592296393.db2.gz LIVZYLUJXVNWTF-XHSDSOJGSA-N 2 1 344.521 1.433 20 0 EDADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000903733500 592296398 /nfs/dbraw/zinc/29/63/98/592296398.db2.gz LIVZYLUJXVNWTF-XHSDSOJGSA-N 2 1 344.521 1.433 20 0 EDADMP Cn1cc(CN2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cn1 ZINC000903753360 592296863 /nfs/dbraw/zinc/29/68/63/592296863.db2.gz UIQKSEHVMZBDJT-SFHVURJKSA-N 2 1 347.507 1.087 20 0 EDADMP C[NH+](C)CCOc1cc(-c2noc([C@]34C[C@H]3CCC[NH2+]4)n2)ccn1 ZINC000904627655 592298191 /nfs/dbraw/zinc/29/81/91/592298191.db2.gz PNVXLVHDJMVZFB-DYVFJYSZSA-N 2 1 329.404 1.671 20 0 EDADMP c1ccc(CCN2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903734049 592298196 /nfs/dbraw/zinc/29/81/96/592298196.db2.gz UDCPVGDNHOHVHQ-VQTJNVASSA-N 2 1 329.488 1.615 20 0 EDADMP [NH3+]Cc1ccc2nc(-c3nc([C@@H]4C[N@H+]5CCC[C@@H]5CO4)no3)cn2c1 ZINC000904636214 592299341 /nfs/dbraw/zinc/29/93/41/592299341.db2.gz BAYCNGHRODSXRO-OCCSQVGLSA-N 2 1 340.387 1.379 20 0 EDADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCCN(c2cccnn2)C1 ZINC000903738982 592300059 /nfs/dbraw/zinc/30/00/59/592300059.db2.gz AJESJVRYDIMHGL-XYJFISCASA-N 2 1 331.464 1.146 20 0 EDADMP C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903740013 592301677 /nfs/dbraw/zinc/30/16/77/592301677.db2.gz RQKVMZAPTIHLFB-HOJAQTOUSA-N 2 1 329.488 1.961 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903740013 592301681 /nfs/dbraw/zinc/30/16/81/592301681.db2.gz RQKVMZAPTIHLFB-HOJAQTOUSA-N 2 1 329.488 1.961 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903740013 592301687 /nfs/dbraw/zinc/30/16/87/592301687.db2.gz RQKVMZAPTIHLFB-HOJAQTOUSA-N 2 1 329.488 1.961 20 0 EDADMP CC(C)OCC[NH+]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903740218 592302730 /nfs/dbraw/zinc/30/27/30/592302730.db2.gz UAMSCFQDPNWNOD-KRWDZBQOSA-N 2 1 325.497 1.188 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903766651 592310076 /nfs/dbraw/zinc/31/00/76/592310076.db2.gz BNZRZXODXDIBQC-BDXSIMOUSA-N 3 1 337.508 1.506 20 0 EDADMP CCOC(=O)[C@]1(F)C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC12CCC2 ZINC000903769209 592310905 /nfs/dbraw/zinc/31/09/05/592310905.db2.gz ZRGJSTGEEAGIGK-UWWQBHOKSA-N 2 1 340.439 1.512 20 0 EDADMP CCOC(=O)[C@]1(F)C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC12CCC2 ZINC000903769209 592310911 /nfs/dbraw/zinc/31/09/11/592310911.db2.gz ZRGJSTGEEAGIGK-UWWQBHOKSA-N 2 1 340.439 1.512 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NC[C@@H]1CCN(c3ccccc3)C1)C2 ZINC000903843083 592343331 /nfs/dbraw/zinc/34/33/31/592343331.db2.gz BQVPFCGGLOFVMB-DWRORGKVSA-N 2 1 342.487 1.441 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NC[C@@H]1CCN(c3ccccc3)C1)C2 ZINC000903843083 592343338 /nfs/dbraw/zinc/34/33/38/592343338.db2.gz BQVPFCGGLOFVMB-DWRORGKVSA-N 2 1 342.487 1.441 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)C2 ZINC000903848881 592344798 /nfs/dbraw/zinc/34/47/98/592344798.db2.gz UOORPJFQCYCMBA-MJBXVCDLSA-N 2 1 339.386 1.716 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCc1ccc(OC(F)F)cc1)C2 ZINC000903848881 592344802 /nfs/dbraw/zinc/34/48/02/592344802.db2.gz UOORPJFQCYCMBA-MJBXVCDLSA-N 2 1 339.386 1.716 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](Cc2ccccc2)C[C@H](C)O)cnn1C ZINC000903884639 592362722 /nfs/dbraw/zinc/36/27/22/592362722.db2.gz FMFOIYMHPDPCTD-YJBOKZPZSA-N 2 1 330.476 1.729 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](Oc3ccccn3)C2)cnn1C ZINC000903897675 592367269 /nfs/dbraw/zinc/36/72/69/592367269.db2.gz IHSVBUIROZDSLM-NVXWUHKLSA-N 2 1 329.448 1.394 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1 ZINC000903954365 592396101 /nfs/dbraw/zinc/39/61/01/592396101.db2.gz RSYWYQBNTRHEJM-IPYPFGDCSA-N 2 1 333.398 1.848 20 0 EDADMP O[C@H](CCC1(O)CCC1)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000905204031 592463300 /nfs/dbraw/zinc/46/33/00/592463300.db2.gz NBGUGBPQELAHGH-MOPGFXCFSA-N 2 1 348.487 1.399 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C[C@H](O)c1ccccc1 ZINC000905385469 592514460 /nfs/dbraw/zinc/51/44/60/592514460.db2.gz YTKFWPYHCHFUTH-QYZOEREBSA-N 2 1 334.460 1.314 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)COC(C)C)C2)[C@H]1C(C)C ZINC000905502908 592545951 /nfs/dbraw/zinc/54/59/51/592545951.db2.gz LWWOQGYUOZKPMJ-YYWYGQEZSA-N 2 1 328.497 1.232 20 0 EDADMP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000908592046 592556637 /nfs/dbraw/zinc/55/66/37/592556637.db2.gz FURQMMXHZGEKLX-XHSDSOJGSA-N 2 1 325.497 1.599 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000907231772 592560028 /nfs/dbraw/zinc/56/00/28/592560028.db2.gz SKFYKDZGYWMIID-MRXNPFEDSA-N 2 1 332.492 1.117 20 0 EDADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907231772 592560031 /nfs/dbraw/zinc/56/00/31/592560031.db2.gz SKFYKDZGYWMIID-MRXNPFEDSA-N 2 1 332.492 1.117 20 0 EDADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907231772 592560034 /nfs/dbraw/zinc/56/00/34/592560034.db2.gz SKFYKDZGYWMIID-MRXNPFEDSA-N 2 1 332.492 1.117 20 0 EDADMP CC(C)O[C@@]1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000905557207 592565755 /nfs/dbraw/zinc/56/57/55/592565755.db2.gz NECQGVWPJOFDHQ-VQTJNVASSA-N 2 1 348.487 1.797 20 0 EDADMP CC(C)O[C@@]1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000905557207 592565756 /nfs/dbraw/zinc/56/57/56/592565756.db2.gz NECQGVWPJOFDHQ-VQTJNVASSA-N 2 1 348.487 1.797 20 0 EDADMP CC1(C)O[C@@H]2C[C@@H]([NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@@H]2O1 ZINC000905602946 592575463 /nfs/dbraw/zinc/57/54/63/592575463.db2.gz UIDOMLCFVWBYSV-GNBUJSLZSA-N 2 1 346.471 1.896 20 0 EDADMP CC1(C)O[C@@H]2C[C@@H]([NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C[C@@H]2O1 ZINC000905602946 592575466 /nfs/dbraw/zinc/57/54/66/592575466.db2.gz UIDOMLCFVWBYSV-GNBUJSLZSA-N 2 1 346.471 1.896 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000907282239 592582799 /nfs/dbraw/zinc/58/27/99/592582799.db2.gz NNLPQKGADFVWOB-ZBFHGGJFSA-N 2 1 337.464 1.028 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000907282239 592582802 /nfs/dbraw/zinc/58/28/02/592582802.db2.gz NNLPQKGADFVWOB-ZBFHGGJFSA-N 2 1 337.464 1.028 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000907282239 592582804 /nfs/dbraw/zinc/58/28/04/592582804.db2.gz NNLPQKGADFVWOB-ZBFHGGJFSA-N 2 1 337.464 1.028 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000907282239 592582807 /nfs/dbraw/zinc/58/28/07/592582807.db2.gz NNLPQKGADFVWOB-ZBFHGGJFSA-N 2 1 337.464 1.028 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000905650241 592596872 /nfs/dbraw/zinc/59/68/72/592596872.db2.gz FIQIDHZEDIXNIE-QGZVFWFLSA-N 2 1 332.517 1.819 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)C1CC1 ZINC000905656612 592598385 /nfs/dbraw/zinc/59/83/85/592598385.db2.gz ZEBSWKAXGRXUJC-GJZGRUSLSA-N 2 1 341.496 1.677 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)C1CC1 ZINC000905656612 592598388 /nfs/dbraw/zinc/59/83/88/592598388.db2.gz ZEBSWKAXGRXUJC-GJZGRUSLSA-N 2 1 341.496 1.677 20 0 EDADMP COc1nc(C)nc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1C ZINC000905700003 592614022 /nfs/dbraw/zinc/61/40/22/592614022.db2.gz GZEAOBMUAKNBHZ-IYBDPMFKSA-N 2 1 331.464 1.507 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000906093095 592740371 /nfs/dbraw/zinc/74/03/71/592740371.db2.gz MHWQWSAPQZJLDX-LJQANCHMSA-N 2 1 344.503 1.261 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000906093095 592740372 /nfs/dbraw/zinc/74/03/72/592740372.db2.gz MHWQWSAPQZJLDX-LJQANCHMSA-N 2 1 344.503 1.261 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000906093095 592740374 /nfs/dbraw/zinc/74/03/74/592740374.db2.gz MHWQWSAPQZJLDX-LJQANCHMSA-N 2 1 344.503 1.261 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000907928277 592848871 /nfs/dbraw/zinc/84/88/71/592848871.db2.gz BCGQUEQAJGDCRD-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP CC[C@H]1C[N@H+](C)CCCN1C(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000907928277 592848873 /nfs/dbraw/zinc/84/88/73/592848873.db2.gz BCGQUEQAJGDCRD-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000907928277 592848875 /nfs/dbraw/zinc/84/88/75/592848875.db2.gz BCGQUEQAJGDCRD-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000906581185 592857829 /nfs/dbraw/zinc/85/78/29/592857829.db2.gz SULXMLUPIDNQLG-DLBZAZTESA-N 2 1 325.497 1.678 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645823 592865795 /nfs/dbraw/zinc/86/57/95/592865795.db2.gz LMDJSKASMXASOD-KBPBESRZSA-N 2 1 332.448 1.320 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000911846764 593025225 /nfs/dbraw/zinc/02/52/25/593025225.db2.gz RKVFLAKUJZOTQM-LLVKDONJSA-N 2 1 330.226 1.311 20 0 EDADMP O=C1[C@H]2CCC[C@H]2CN1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000840003605 593334879 /nfs/dbraw/zinc/33/48/79/593334879.db2.gz NGJPUCMQVOAEAG-ROUUACIJSA-N 2 1 335.492 1.637 20 0 EDADMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000769614717 593444786 /nfs/dbraw/zinc/44/47/86/593444786.db2.gz CIZTZGPEQVAJBO-KRWDZBQOSA-N 2 1 338.496 1.367 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813325833 593526688 /nfs/dbraw/zinc/52/66/88/593526688.db2.gz LPAXZTBBWZKTEC-LBPRGKRZSA-N 2 1 341.415 1.852 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnn(C)c1Cl ZINC000816610614 593534538 /nfs/dbraw/zinc/53/45/38/593534538.db2.gz RIZDOJKRAVTJGN-OAHLLOKOSA-N 2 1 327.904 1.921 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnn(C)c1Cl ZINC000816610613 593534607 /nfs/dbraw/zinc/53/46/07/593534607.db2.gz RIZDOJKRAVTJGN-HNNXBMFYSA-N 2 1 327.904 1.921 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000819005233 593733723 /nfs/dbraw/zinc/73/37/23/593733723.db2.gz YYFZNCIJTDWDQF-HOCLYGCPSA-N 2 1 339.867 1.550 20 0 EDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000819366963 593752085 /nfs/dbraw/zinc/75/20/85/593752085.db2.gz VBGHXSBUYZFFAH-YOEHRIQHSA-N 2 1 340.489 1.445 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[NH+]1CCSCC1 ZINC000820086078 593789701 /nfs/dbraw/zinc/78/97/01/593789701.db2.gz QKEBPDFBGAQGPV-DZJNRPSUSA-N 2 1 345.512 1.670 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[NH+]1CCSCC1 ZINC000820086078 593789702 /nfs/dbraw/zinc/78/97/02/593789702.db2.gz QKEBPDFBGAQGPV-DZJNRPSUSA-N 2 1 345.512 1.670 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2c1CCOC2 ZINC000824825926 594080671 /nfs/dbraw/zinc/08/06/71/594080671.db2.gz FFDFLIDVSRCDKW-HNNXBMFYSA-N 2 1 333.476 1.761 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2c1CCOC2 ZINC000824825926 594080672 /nfs/dbraw/zinc/08/06/72/594080672.db2.gz FFDFLIDVSRCDKW-HNNXBMFYSA-N 2 1 333.476 1.761 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C(\C)c1cnccn1 ZINC000825567578 594201359 /nfs/dbraw/zinc/20/13/59/594201359.db2.gz CFZPFASFYICRDO-HJUDDPQBSA-N 2 1 345.491 1.754 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000827539581 594228079 /nfs/dbraw/zinc/22/80/79/594228079.db2.gz GMELOIMCLLVNRQ-DLBZAZTESA-N 2 1 339.443 1.828 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)c2cccs2)CC1 ZINC000825795689 594248883 /nfs/dbraw/zinc/24/88/83/594248883.db2.gz OYLDNDSECJNZIE-GJZGRUSLSA-N 2 1 336.505 1.280 20 0 EDADMP CC1(C)[C@@H](O)CC[NH+]1Cc1cncc(C[N@@H+]2CC[C@H](O)C2(C)C)c1 ZINC000829973435 594304528 /nfs/dbraw/zinc/30/45/28/594304528.db2.gz FEETXIFGHYMOFB-IRXDYDNUSA-N 2 1 333.476 1.772 20 0 EDADMP C[NH+](C)[C@H](CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000841385526 594890986 /nfs/dbraw/zinc/89/09/86/594890986.db2.gz CZQNWIXCOJUJBX-OKZBNKHCSA-N 2 1 331.460 1.659 20 0 EDADMP C[C@@]1(CNC(=O)N[C@H]2CCC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841896838 594976270 /nfs/dbraw/zinc/97/62/70/594976270.db2.gz RUYJBFRHFHVHGV-HKUYNNGSSA-N 2 1 330.476 1.950 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000842510583 595123217 /nfs/dbraw/zinc/12/32/17/595123217.db2.gz SPBAEQCELJDTBQ-AEFFLSMTSA-N 2 1 334.464 1.717 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834442162 595124290 /nfs/dbraw/zinc/12/42/90/595124290.db2.gz QZQPHOJOKFWWKG-SFHVURJKSA-N 2 1 342.487 1.896 20 0 EDADMP C[NH+]1CCN([C@@H](c2nc([C@H]3CCC[NH2+]C3)no2)c2ccccc2)CC1 ZINC000842669055 595165806 /nfs/dbraw/zinc/16/58/06/595165806.db2.gz PZBLZKPFKYCCJM-DLBZAZTESA-N 2 1 341.459 1.873 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000843061339 595277106 /nfs/dbraw/zinc/27/71/06/595277106.db2.gz FNLDATGWGWNORO-CABCVRRESA-N 2 1 343.265 1.529 20 0 EDADMP [NH3+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844218578 595305153 /nfs/dbraw/zinc/30/51/53/595305153.db2.gz WHBADSQDJVJSAJ-MRXNPFEDSA-N 2 1 346.475 1.523 20 0 EDADMP CC(C)c1cnc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000844221650 595306662 /nfs/dbraw/zinc/30/66/62/595306662.db2.gz QRPGMQKSODLEMQ-GJZGRUSLSA-N 2 1 334.464 1.878 20 0 EDADMP CC(C)c1cnc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000844221650 595306665 /nfs/dbraw/zinc/30/66/65/595306665.db2.gz QRPGMQKSODLEMQ-GJZGRUSLSA-N 2 1 334.464 1.878 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844222936 595307421 /nfs/dbraw/zinc/30/74/21/595307421.db2.gz NTKKJCNOYSTNIT-CVEARBPZSA-N 2 1 346.475 1.521 20 0 EDADMP C[C@H](CNC(=O)NCc1ccc(CC[NH3+])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848602947 595416634 /nfs/dbraw/zinc/41/66/34/595416634.db2.gz JDCPICYIMLEKBY-OAGGEKHMSA-N 2 1 348.491 1.485 20 0 EDADMP C[C@H](CNC(=O)NCc1ccc(CC[NH3+])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848602947 595416637 /nfs/dbraw/zinc/41/66/37/595416637.db2.gz JDCPICYIMLEKBY-OAGGEKHMSA-N 2 1 348.491 1.485 20 0 EDADMP CCCOc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000849060211 595476501 /nfs/dbraw/zinc/47/65/01/595476501.db2.gz OUZYCQIZGJEDHE-UHFFFAOYSA-N 2 1 334.464 1.812 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC3=[NH+]CCCN3C)cc2)CC1 ZINC000849110748 595483614 /nfs/dbraw/zinc/48/36/14/595483614.db2.gz MZTMLPLQYLRWKA-UHFFFAOYSA-N 2 1 329.492 1.605 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849497907 595551357 /nfs/dbraw/zinc/55/13/57/595551357.db2.gz PLHVNFBMSLJDOJ-IRXDYDNUSA-N 2 1 335.496 1.302 20 0 EDADMP CC(C)[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849497907 595551359 /nfs/dbraw/zinc/55/13/59/595551359.db2.gz PLHVNFBMSLJDOJ-IRXDYDNUSA-N 2 1 335.496 1.302 20 0 EDADMP CC(C)[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849497907 595551360 /nfs/dbraw/zinc/55/13/60/595551360.db2.gz PLHVNFBMSLJDOJ-IRXDYDNUSA-N 2 1 335.496 1.302 20 0 EDADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849540974 595559867 /nfs/dbraw/zinc/55/98/67/595559867.db2.gz KLPZJIWGGLVARR-QZTJIDSGSA-N 2 1 349.523 1.694 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852857826 595578800 /nfs/dbraw/zinc/57/88/00/595578800.db2.gz HIQVBYAANFARKR-PBHICJAKSA-N 2 1 344.459 1.638 20 0 EDADMP CC(=O)Nc1c(C)cccc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346373 595680968 /nfs/dbraw/zinc/68/09/68/595680968.db2.gz ZCHHCTPRULPXJJ-HNNXBMFYSA-N 2 1 348.491 1.955 20 0 EDADMP CC(=O)Nc1c(C)cccc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346373 595680970 /nfs/dbraw/zinc/68/09/70/595680970.db2.gz ZCHHCTPRULPXJJ-HNNXBMFYSA-N 2 1 348.491 1.955 20 0 EDADMP COc1cncc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000850242600 595784093 /nfs/dbraw/zinc/78/40/93/595784093.db2.gz WDJOSCOQJJTASX-SFHVURJKSA-N 2 1 327.428 1.947 20 0 EDADMP CCOP(=O)(OCC)[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000851780814 595920953 /nfs/dbraw/zinc/92/09/53/595920953.db2.gz KQYPCNWHLOEKFO-GJZGRUSLSA-N 2 1 334.397 1.989 20 0 EDADMP Cn1cc(N2CC[C@H]([N@H+](C)Cc3ccc(C[NH+](C)C)cc3)C2=O)cn1 ZINC000859215184 596006930 /nfs/dbraw/zinc/00/69/30/596006930.db2.gz XRLKVHPEBIPQLC-SFHVURJKSA-N 2 1 341.459 1.719 20 0 EDADMP Cn1cc(N2CC[C@H]([N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)C2=O)cn1 ZINC000859215184 596006933 /nfs/dbraw/zinc/00/69/33/596006933.db2.gz XRLKVHPEBIPQLC-SFHVURJKSA-N 2 1 341.459 1.719 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C[C@@H]1C ZINC000854244570 596014098 /nfs/dbraw/zinc/01/40/98/596014098.db2.gz LFQIANSHFBBUCJ-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@@H]1C ZINC000854244570 596014102 /nfs/dbraw/zinc/01/41/02/596014102.db2.gz LFQIANSHFBBUCJ-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)C[C@@H]1C ZINC000854244570 596014105 /nfs/dbraw/zinc/01/41/05/596014105.db2.gz LFQIANSHFBBUCJ-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]([NH3+])CN(C)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000861590632 596039084 /nfs/dbraw/zinc/03/90/84/596039084.db2.gz APIAJSKSFPEGFT-HZPDHXFCSA-N 2 1 333.480 1.186 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000861590650 596039343 /nfs/dbraw/zinc/03/93/43/596039343.db2.gz AXDUVBKAKXAORR-ZOBUZTSGSA-N 2 1 334.464 1.265 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000861590650 596039347 /nfs/dbraw/zinc/03/93/47/596039347.db2.gz AXDUVBKAKXAORR-ZOBUZTSGSA-N 2 1 334.464 1.265 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C[NH+](C)C)C2)ccn1 ZINC000856659046 596042942 /nfs/dbraw/zinc/04/29/42/596042942.db2.gz XNQXTKGHFMFTQV-KRWDZBQOSA-N 2 1 334.464 1.463 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC2CC([NH+]3CCOCC3)C2)C1 ZINC000862108713 596240645 /nfs/dbraw/zinc/24/06/45/596240645.db2.gz ZJVPNPUHEHIFSG-MQBCKMQZSA-N 2 1 327.444 1.178 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC2CC([NH+]3CCOCC3)C2)C1 ZINC000862108713 596240646 /nfs/dbraw/zinc/24/06/46/596240646.db2.gz ZJVPNPUHEHIFSG-MQBCKMQZSA-N 2 1 327.444 1.178 20 0 EDADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000866666437 596285440 /nfs/dbraw/zinc/28/54/40/596285440.db2.gz QKTPTWKTEHKILL-ROUUACIJSA-N 2 1 330.476 1.692 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000866711152 596304102 /nfs/dbraw/zinc/30/41/02/596304102.db2.gz CXJHSNPVRKHKDJ-BPQIPLTHSA-N 2 1 343.427 1.126 20 0 EDADMP Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714809 596306945 /nfs/dbraw/zinc/30/69/45/596306945.db2.gz XYPRTONFYVDLNU-FMKPAKJESA-N 2 1 341.415 1.010 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000870887735 596391375 /nfs/dbraw/zinc/39/13/75/596391375.db2.gz GQJOLKBSMHBPIA-XNGIKWSVSA-N 2 1 337.508 1.772 20 0 EDADMP CCOC1CC2(C[C@@H]2C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000864984586 596435439 /nfs/dbraw/zinc/43/54/39/596435439.db2.gz XELBLTNWJJFVNJ-XAUUPUKJSA-N 2 1 344.459 1.977 20 0 EDADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H](N)CC[NH+](C)C ZINC000871018592 596440013 /nfs/dbraw/zinc/44/00/13/596440013.db2.gz CEVUHGAQNRFZLC-RTBURBONSA-N 2 1 346.519 1.779 20 0 EDADMP c1nc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1C1CC1 ZINC000865439338 596574727 /nfs/dbraw/zinc/57/47/27/596574727.db2.gz UNZSGBZMUSZOPD-UHFFFAOYSA-N 2 1 340.475 1.915 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+](C)CCOCC[NH3+] ZINC000863554810 596617102 /nfs/dbraw/zinc/61/71/02/596617102.db2.gz ISFCMTLFJPOXIF-INIZCTEOSA-N 2 1 348.491 1.911 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000863554810 596617103 /nfs/dbraw/zinc/61/71/03/596617103.db2.gz ISFCMTLFJPOXIF-INIZCTEOSA-N 2 1 348.491 1.911 20 0 EDADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H](O)c1c(F)cccc1F ZINC000863562167 596619802 /nfs/dbraw/zinc/61/98/02/596619802.db2.gz IPSJQHGCTMFSEB-PVUWLOKVSA-N 2 1 328.403 1.823 20 0 EDADMP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000863588116 596628546 /nfs/dbraw/zinc/62/85/46/596628546.db2.gz BKZZOMOQPWEJNJ-YUELXQCFSA-N 2 1 327.469 1.429 20 0 EDADMP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000863588116 596628548 /nfs/dbraw/zinc/62/85/48/596628548.db2.gz BKZZOMOQPWEJNJ-YUELXQCFSA-N 2 1 327.469 1.429 20 0 EDADMP C[C@@H](CNC(=O)/C=C\CN1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000865696446 596652771 /nfs/dbraw/zinc/65/27/71/596652771.db2.gz DIYJLDYYGTTYPD-SKHCZCESSA-N 2 1 331.460 1.512 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc(N)nc(C2CCCC2)n1 ZINC000865933897 596727892 /nfs/dbraw/zinc/72/78/92/596727892.db2.gz NVPTZTBYIOLMDW-ZDUSSCGKSA-N 2 1 335.500 1.795 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc(N)nc(C2CCCC2)n1 ZINC000865933897 596727896 /nfs/dbraw/zinc/72/78/96/596727896.db2.gz NVPTZTBYIOLMDW-ZDUSSCGKSA-N 2 1 335.500 1.795 20 0 EDADMP CCC1([NH+](C)C)CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000868217912 596729611 /nfs/dbraw/zinc/72/96/11/596729611.db2.gz WLOYTZFJBSJGKN-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP O[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC1(O)CCOCC1 ZINC000863969699 596738186 /nfs/dbraw/zinc/73/81/86/596738186.db2.gz YLZWWZKQQVLHKV-IRXDYDNUSA-N 2 1 326.481 1.229 20 0 EDADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242813 596742529 /nfs/dbraw/zinc/74/25/29/596742529.db2.gz BLWGWWLONMFAGX-IXDOHACOSA-N 2 1 344.459 1.382 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242813 596742534 /nfs/dbraw/zinc/74/25/34/596742534.db2.gz BLWGWWLONMFAGX-IXDOHACOSA-N 2 1 344.459 1.382 20 0 EDADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1)C1CCCC1 ZINC000872157045 596815673 /nfs/dbraw/zinc/81/56/73/596815673.db2.gz NERNRQFSGHSAQL-CZUORRHYSA-N 2 1 336.480 1.594 20 0 EDADMP CCOCCNC(=O)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158680 596817031 /nfs/dbraw/zinc/81/70/31/596817031.db2.gz WWKQPZLZRNWUAK-WBVHZDCISA-N 2 1 325.497 1.759 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCCN1CCOC[C@H]1CC ZINC000875579151 596903562 /nfs/dbraw/zinc/90/35/62/596903562.db2.gz VXEAHZOPFLGERR-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[N@H+](CC1CC[NH+](C)CC1)Cn1c2ccccc2oc1=O ZINC000872632068 597000584 /nfs/dbraw/zinc/00/05/84/597000584.db2.gz AUBYLDGNLJGYJG-UHFFFAOYSA-N 2 1 333.432 1.842 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1c2ccccc2oc1=O ZINC000872632068 597000588 /nfs/dbraw/zinc/00/05/88/597000588.db2.gz AUBYLDGNLJGYJG-UHFFFAOYSA-N 2 1 333.432 1.842 20 0 EDADMP C[N@H+]1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCC1(C)C ZINC000872696466 597036116 /nfs/dbraw/zinc/03/61/16/597036116.db2.gz SUEUEYXUUHQHEB-GOSISDBHSA-N 2 1 336.480 1.277 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@@H]1C(F)(F)F ZINC000873227764 597234233 /nfs/dbraw/zinc/23/42/33/597234233.db2.gz NGJXTTLJGPVYQW-JSGCOSHPSA-N 2 1 325.338 1.836 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)C[C@@H]1C(F)(F)F ZINC000873227764 597234237 /nfs/dbraw/zinc/23/42/37/597234237.db2.gz NGJXTTLJGPVYQW-JSGCOSHPSA-N 2 1 325.338 1.836 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[NH+]1CCCC[C@H]1C ZINC000875071807 597269838 /nfs/dbraw/zinc/26/98/38/597269838.db2.gz NHAANGNOWSMGLK-OAGGEKHMSA-N 2 1 340.512 1.394 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)[N@@H+]1CCCC[C@H]1C ZINC000875071807 597269840 /nfs/dbraw/zinc/26/98/40/597269840.db2.gz NHAANGNOWSMGLK-OAGGEKHMSA-N 2 1 340.512 1.394 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)[N@H+]1CCCC[C@H]1C ZINC000875071807 597269841 /nfs/dbraw/zinc/26/98/41/597269841.db2.gz NHAANGNOWSMGLK-OAGGEKHMSA-N 2 1 340.512 1.394 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000876737935 597314970 /nfs/dbraw/zinc/31/49/70/597314970.db2.gz XCRZBSQSIJRJLD-USXIJHARSA-N 2 1 347.507 1.966 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000875308818 597379081 /nfs/dbraw/zinc/37/90/81/597379081.db2.gz NOMNRAPGHINKHI-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000876958630 597396855 /nfs/dbraw/zinc/39/68/55/597396855.db2.gz IZLXLEIMVXUOIC-CABCVRRESA-N 2 1 333.480 1.719 20 0 EDADMP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@H](N)CC[NH+](C)C ZINC000877030919 597416964 /nfs/dbraw/zinc/41/69/64/597416964.db2.gz NSOOAHHEOHZRQS-JFIYKMOQSA-N 2 1 330.476 1.408 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000877120776 597437809 /nfs/dbraw/zinc/43/78/09/597437809.db2.gz VEAPTYRNAXMRJF-HNNXBMFYSA-N 2 1 339.443 1.307 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000877229823 597469699 /nfs/dbraw/zinc/46/96/99/597469699.db2.gz QYLLFTMXMOKVFO-KRWDZBQOSA-N 2 1 331.460 1.441 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000877229823 597469702 /nfs/dbraw/zinc/46/97/02/597469702.db2.gz QYLLFTMXMOKVFO-KRWDZBQOSA-N 2 1 331.460 1.441 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000877232241 597471430 /nfs/dbraw/zinc/47/14/30/597471430.db2.gz ZWPSBYDRHFJVTE-ROUUACIJSA-N 2 1 331.460 1.454 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000877232241 597471431 /nfs/dbraw/zinc/47/14/31/597471431.db2.gz ZWPSBYDRHFJVTE-ROUUACIJSA-N 2 1 331.460 1.454 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000877357998 597500293 /nfs/dbraw/zinc/50/02/93/597500293.db2.gz APCZHKFIYXLGAY-MJBXVCDLSA-N 2 1 329.366 1.885 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000877391705 597508259 /nfs/dbraw/zinc/50/82/59/597508259.db2.gz XGJHGBWSQXRHLN-YJBOKZPZSA-N 2 1 331.464 1.033 20 0 EDADMP c1nnnn1CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000878160039 597583001 /nfs/dbraw/zinc/58/30/01/597583001.db2.gz DICKMKHFPBJDJJ-SFHVURJKSA-N 2 1 326.448 1.661 20 0 EDADMP c1nnnn1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000878160039 597583002 /nfs/dbraw/zinc/58/30/02/597583002.db2.gz DICKMKHFPBJDJJ-SFHVURJKSA-N 2 1 326.448 1.661 20 0 EDADMP c1nnnn1CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000878160039 597583003 /nfs/dbraw/zinc/58/30/03/597583003.db2.gz DICKMKHFPBJDJJ-SFHVURJKSA-N 2 1 326.448 1.661 20 0 EDADMP COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C)CC2)c1 ZINC000878347042 597597158 /nfs/dbraw/zinc/59/71/58/597597158.db2.gz YCSITNQIPVDSKN-ZDUSSCGKSA-N 2 1 335.448 1.565 20 0 EDADMP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000878543807 597629523 /nfs/dbraw/zinc/62/95/23/597629523.db2.gz CRKVOPDMPQLUBT-INIZCTEOSA-N 2 1 349.475 1.658 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]3CSC[C@H]3C2)CC1 ZINC000879558334 597631741 /nfs/dbraw/zinc/63/17/41/597631741.db2.gz IRGAMDZJPJMSDX-LSDHHAIUSA-N 2 1 325.522 1.660 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879578297 597640715 /nfs/dbraw/zinc/64/07/15/597640715.db2.gz CROYCAIIQIYSTR-IIDMSEBBSA-N 2 1 339.480 1.384 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879578297 597640717 /nfs/dbraw/zinc/64/07/17/597640717.db2.gz CROYCAIIQIYSTR-IIDMSEBBSA-N 2 1 339.480 1.384 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879578297 597640719 /nfs/dbraw/zinc/64/07/19/597640719.db2.gz CROYCAIIQIYSTR-IIDMSEBBSA-N 2 1 339.480 1.384 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879578297 597640720 /nfs/dbraw/zinc/64/07/20/597640720.db2.gz CROYCAIIQIYSTR-IIDMSEBBSA-N 2 1 339.480 1.384 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000878864883 597738340 /nfs/dbraw/zinc/73/83/40/597738340.db2.gz BXMDIHIUYZZMPA-SJLPKXTDSA-N 2 1 326.481 1.351 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000878864883 597738341 /nfs/dbraw/zinc/73/83/41/597738341.db2.gz BXMDIHIUYZZMPA-SJLPKXTDSA-N 2 1 326.481 1.351 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)o1 ZINC000883435872 597745649 /nfs/dbraw/zinc/74/56/49/597745649.db2.gz FDKUMISHQSVKFT-OAHLLOKOSA-N 2 1 344.463 1.804 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000883442952 597748719 /nfs/dbraw/zinc/74/87/19/597748719.db2.gz WPSBPOXLGFCWOY-HZPDHXFCSA-N 2 1 332.448 1.177 20 0 EDADMP [NH3+]C/C=C/CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883586749 597815238 /nfs/dbraw/zinc/81/52/38/597815238.db2.gz RPYVDOCCMIWPHM-WZHGYECESA-N 2 1 329.448 1.607 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2[C@@H](C)CC[C@H]2CO)CC1 ZINC000880440345 597935228 /nfs/dbraw/zinc/93/52/28/597935228.db2.gz ANFONSQOQUZPSK-SCTDSRPQSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2[C@@H](C)CC[C@H]2CO)CC1 ZINC000880440345 597935231 /nfs/dbraw/zinc/93/52/31/597935231.db2.gz ANFONSQOQUZPSK-SCTDSRPQSA-N 2 1 345.487 1.737 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000880599630 597977700 /nfs/dbraw/zinc/97/77/00/597977700.db2.gz NUKQUIOWGMGLAI-HNNXBMFYSA-N 2 1 335.452 1.376 20 0 EDADMP COCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000884180308 598016747 /nfs/dbraw/zinc/01/67/47/598016747.db2.gz TYTCMSDHNRHKAZ-IBGZPJMESA-N 2 1 341.455 1.848 20 0 EDADMP [NH3+][C@@H](C(=O)NCC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000884179949 598016965 /nfs/dbraw/zinc/01/69/65/598016965.db2.gz HCXHPKGUNNGGOI-CYBMUJFWSA-N 2 1 326.238 1.661 20 0 EDADMP COCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000884185657 598018230 /nfs/dbraw/zinc/01/82/30/598018230.db2.gz CAMPHPBFYLDJTD-RVKKMQEKSA-N 2 1 349.475 1.276 20 0 EDADMP C[NH2+]CCOc1ccccc1C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000884195417 598023003 /nfs/dbraw/zinc/02/30/03/598023003.db2.gz LXFOUOZFWKIKDR-AWEZNQCLSA-N 2 1 330.432 1.856 20 0 EDADMP CCC1([NH+]2CCC2)CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000884229127 598037587 /nfs/dbraw/zinc/03/75/87/598037587.db2.gz INPXAUQJCXIPCG-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP CCC1([NH+]2CCC2)CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000884229127 598037591 /nfs/dbraw/zinc/03/75/91/598037591.db2.gz INPXAUQJCXIPCG-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884316502 598063231 /nfs/dbraw/zinc/06/32/31/598063231.db2.gz UOCSFLGWIJVYSJ-SJORKVTESA-N 2 1 343.475 1.048 20 0 EDADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000884412160 598097708 /nfs/dbraw/zinc/09/77/08/598097708.db2.gz KCEDYBGUZZEBCJ-IRXDYDNUSA-N 2 1 338.540 1.623 20 0 EDADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000884412160 598097711 /nfs/dbraw/zinc/09/77/11/598097711.db2.gz KCEDYBGUZZEBCJ-IRXDYDNUSA-N 2 1 338.540 1.623 20 0 EDADMP CC[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000914072862 695063619 /nfs/dbraw/zinc/06/36/19/695063619.db2.gz ZMLOQYVSDUMUSA-MSOLQXFVSA-N 2 1 330.476 1.827 20 0 EDADMP CC[C@H](CNC(=O)NC[C@@H]1CC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000914072862 695063622 /nfs/dbraw/zinc/06/36/22/695063622.db2.gz ZMLOQYVSDUMUSA-MSOLQXFVSA-N 2 1 330.476 1.827 20 0 EDADMP CC[C@H](CNC(=O)NC[C@@H]1CC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000914072862 695063624 /nfs/dbraw/zinc/06/36/24/695063624.db2.gz ZMLOQYVSDUMUSA-MSOLQXFVSA-N 2 1 330.476 1.827 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@H]2C1)C1CCC1 ZINC000992719481 695235406 /nfs/dbraw/zinc/23/54/06/695235406.db2.gz ZPUKPUYUCXOBBK-JCGIZDLHSA-N 2 1 346.475 1.876 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC4CC4)[C@@H]3C2)no1 ZINC000992738136 695259949 /nfs/dbraw/zinc/25/99/49/695259949.db2.gz HUCSDKBXEQRNKV-UAGQMJEPSA-N 2 1 346.475 1.977 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CC3)[C@@H]2C1 ZINC000992862205 695410695 /nfs/dbraw/zinc/41/06/95/695410695.db2.gz RRQNLHBIBIROSN-OTWHNJEPSA-N 2 1 349.519 1.726 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)NCC[NH+]1CCCCCC1 ZINC000914703637 695627507 /nfs/dbraw/zinc/62/75/07/695627507.db2.gz VXMGTVPVKQOKLV-UHFFFAOYSA-N 2 1 328.526 1.049 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001015599535 695736687 /nfs/dbraw/zinc/73/66/87/695736687.db2.gz PYNDAAPGOKAMIR-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001015599535 695736689 /nfs/dbraw/zinc/73/66/89/695736689.db2.gz PYNDAAPGOKAMIR-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001015599535 695736691 /nfs/dbraw/zinc/73/66/91/695736691.db2.gz PYNDAAPGOKAMIR-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001015599535 695736694 /nfs/dbraw/zinc/73/66/94/695736694.db2.gz PYNDAAPGOKAMIR-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000915457299 695826088 /nfs/dbraw/zinc/82/60/88/695826088.db2.gz AKOAYEHYEOAHHA-CABCVRRESA-N 2 1 336.505 1.963 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000915457299 695826089 /nfs/dbraw/zinc/82/60/89/695826089.db2.gz AKOAYEHYEOAHHA-CABCVRRESA-N 2 1 336.505 1.963 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000915457299 695826091 /nfs/dbraw/zinc/82/60/91/695826091.db2.gz AKOAYEHYEOAHHA-CABCVRRESA-N 2 1 336.505 1.963 20 0 EDADMP CCO[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCCC1)C[NH+](C)C ZINC000915649212 695960616 /nfs/dbraw/zinc/96/06/16/695960616.db2.gz VCNXWIRIJAFNBB-INIZCTEOSA-N 2 1 328.501 1.517 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2C[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001031253643 696023326 /nfs/dbraw/zinc/02/33/26/696023326.db2.gz JCQHNLWVJCJHGB-DZGCQCFKSA-N 2 1 329.435 1.953 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCC[N@H+]1CCO ZINC000993800747 696377811 /nfs/dbraw/zinc/37/78/11/696377811.db2.gz AXFTZCWGTXOOMX-CRAIPNDOSA-N 2 1 333.476 1.366 20 0 EDADMP CC[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000916032280 696615282 /nfs/dbraw/zinc/61/52/82/696615282.db2.gz MTDBBLWEHZMQLH-QGZVFWFLSA-N 2 1 338.496 1.271 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCc2ccns2)[C@H]1C ZINC000994416275 696832084 /nfs/dbraw/zinc/83/20/84/696832084.db2.gz BIYUQGFAEMSGJC-XJKSGUPXSA-N 2 1 347.488 1.860 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCc2ccns2)[C@H]1C ZINC000994416275 696832088 /nfs/dbraw/zinc/83/20/88/696832088.db2.gz BIYUQGFAEMSGJC-XJKSGUPXSA-N 2 1 347.488 1.860 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1)C1CCCC1 ZINC000916979182 696868503 /nfs/dbraw/zinc/86/85/03/696868503.db2.gz JDCOBOBDCNRWMR-QGZVFWFLSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)C1CCCC1 ZINC000916979182 696868508 /nfs/dbraw/zinc/86/85/08/696868508.db2.gz JDCOBOBDCNRWMR-QGZVFWFLSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)C1CCCC1 ZINC000916979182 696868512 /nfs/dbraw/zinc/86/85/12/696868512.db2.gz JDCOBOBDCNRWMR-QGZVFWFLSA-N 2 1 338.496 1.413 20 0 EDADMP Cc1ccncc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)[C@H]1C ZINC000994505076 696947812 /nfs/dbraw/zinc/94/78/12/696947812.db2.gz IGNIPQPSUUVCBA-NVXWUHKLSA-N 2 1 327.432 1.756 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000918210182 697142536 /nfs/dbraw/zinc/14/25/36/697142536.db2.gz SGEBAZHLIPHXDS-GJZGRUSLSA-N 2 1 328.526 1.597 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000918210182 697142537 /nfs/dbraw/zinc/14/25/37/697142537.db2.gz SGEBAZHLIPHXDS-GJZGRUSLSA-N 2 1 328.526 1.597 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000918210182 697142538 /nfs/dbraw/zinc/14/25/38/697142538.db2.gz SGEBAZHLIPHXDS-GJZGRUSLSA-N 2 1 328.526 1.597 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000919636731 697308683 /nfs/dbraw/zinc/30/86/83/697308683.db2.gz YRPGVKAELRXCHG-IRXDYDNUSA-N 2 1 349.479 1.094 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(CCO[C@H]2CC2(F)F)C1 ZINC001031666867 697452149 /nfs/dbraw/zinc/45/21/49/697452149.db2.gz SRLUJCIRHSVUPZ-CABCVRRESA-N 2 1 345.434 1.331 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCO[C@H]2CC2(F)F)C1 ZINC001031666867 697452151 /nfs/dbraw/zinc/45/21/51/697452151.db2.gz SRLUJCIRHSVUPZ-CABCVRRESA-N 2 1 345.434 1.331 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCO[C@H]2CC2(F)F)C1 ZINC001031666867 697452152 /nfs/dbraw/zinc/45/21/52/697452152.db2.gz SRLUJCIRHSVUPZ-CABCVRRESA-N 2 1 345.434 1.331 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](OC)C2CCC2)C1 ZINC001031713664 697732533 /nfs/dbraw/zinc/73/25/33/697732533.db2.gz DMHJKTOMYXPKIP-ROUUACIJSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccnc2C)C1 ZINC000995036086 700183773 /nfs/dbraw/zinc/18/37/73/700183773.db2.gz KCMAFCMIYDYWIB-SJLPKXTDSA-N 2 1 341.459 1.970 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nn1C ZINC000940121151 700254540 /nfs/dbraw/zinc/25/45/40/700254540.db2.gz YBGUYAFNAZEXMD-NVXWUHKLSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766109 699055590 /nfs/dbraw/zinc/05/55/90/699055590.db2.gz BINDVWVYWKHZKV-SJLPKXTDSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766109 699055592 /nfs/dbraw/zinc/05/55/92/699055592.db2.gz BINDVWVYWKHZKV-SJLPKXTDSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031766751 699066154 /nfs/dbraw/zinc/06/61/54/699066154.db2.gz MVPNLWQNJMCXKE-OALUTQOASA-N 2 1 342.487 1.955 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001031766751 699066158 /nfs/dbraw/zinc/06/61/58/699066158.db2.gz MVPNLWQNJMCXKE-OALUTQOASA-N 2 1 342.487 1.955 20 0 EDADMP CN(C)c1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001031773934 699126540 /nfs/dbraw/zinc/12/65/40/699126540.db2.gz IDAALBYRHSNKNP-LJQANCHMSA-N 2 1 344.503 1.785 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031774511 699146323 /nfs/dbraw/zinc/14/63/23/699146323.db2.gz ALVSBRHOECVWIC-KRWDZBQOSA-N 2 1 334.464 1.578 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031774511 699146325 /nfs/dbraw/zinc/14/63/25/699146325.db2.gz ALVSBRHOECVWIC-KRWDZBQOSA-N 2 1 334.464 1.578 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C3C[NH+](CC4CC4)C3)CC2)C1 ZINC000941531939 701572619 /nfs/dbraw/zinc/57/26/19/701572619.db2.gz KZDOOJZSOBVQTG-SFHVURJKSA-N 2 1 348.535 1.347 20 0 EDADMP Cc1cnc(CN[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939128728 699207436 /nfs/dbraw/zinc/20/74/36/699207436.db2.gz OURKDTIUSPQKIP-HIFRSBDPSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000939128806 699207932 /nfs/dbraw/zinc/20/79/32/699207932.db2.gz QGYUCKLOIKOTID-WBVHZDCISA-N 2 1 330.476 1.750 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCn1cccn1 ZINC000939136689 699223127 /nfs/dbraw/zinc/22/31/27/699223127.db2.gz BOXMZCVYWSCPTI-JKSUJKDBSA-N 2 1 333.480 1.052 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031802939 699352063 /nfs/dbraw/zinc/35/20/63/699352063.db2.gz YEJDPXCCXJWXQT-GOSISDBHSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031802939 699352065 /nfs/dbraw/zinc/35/20/65/699352065.db2.gz YEJDPXCCXJWXQT-GOSISDBHSA-N 2 1 348.491 1.960 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001031806599 699429562 /nfs/dbraw/zinc/42/95/62/699429562.db2.gz IDUVPZSSAIQKKA-SJLPKXTDSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)n1 ZINC000939257175 699434287 /nfs/dbraw/zinc/43/42/87/699434287.db2.gz KMXDTJNXDUESDG-YOEHRIQHSA-N 2 1 345.491 1.453 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCC3CC3)C2)CC1 ZINC000941674457 701614500 /nfs/dbraw/zinc/61/45/00/701614500.db2.gz CAJCOQJDEQHYAQ-LJQANCHMSA-N 2 1 348.535 1.489 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1)C1CC1 ZINC000940149884 700283080 /nfs/dbraw/zinc/28/30/80/700283080.db2.gz PUHDQQAQFHTCPC-CQSZACIVSA-N 2 1 337.493 1.349 20 0 EDADMP C[NH+](C)C1(C(=O)N2CCC(C)([NH2+]Cc3cnsn3)CC2)CCC1 ZINC000940149942 700283527 /nfs/dbraw/zinc/28/35/27/700283527.db2.gz SKNDCZWNGRVQEA-UHFFFAOYSA-N 2 1 337.493 1.493 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3nccs3)CC2)C1 ZINC000940328029 700505926 /nfs/dbraw/zinc/50/59/26/700505926.db2.gz CQRMCIQWDHNTCC-AWEZNQCLSA-N 2 1 336.505 1.956 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000940328417 700507092 /nfs/dbraw/zinc/50/70/92/700507092.db2.gz JOLZVMCAJNDEBG-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000940328417 700507096 /nfs/dbraw/zinc/50/70/96/700507096.db2.gz JOLZVMCAJNDEBG-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940328949 700507719 /nfs/dbraw/zinc/50/77/19/700507719.db2.gz ONLJCRQYWXAKPX-CYBMUJFWSA-N 2 1 337.493 1.493 20 0 EDADMP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000940329227 700508266 /nfs/dbraw/zinc/50/82/66/700508266.db2.gz RTZMVMBVIFKZDX-INIZCTEOSA-N 2 1 347.507 1.858 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2ncnn2C)CC1 ZINC000940472377 700657767 /nfs/dbraw/zinc/65/77/67/700657767.db2.gz VCDIGCQOKJWWFE-GASCZTMLSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940750432 700888844 /nfs/dbraw/zinc/88/88/44/700888844.db2.gz HDCWVMAYULIUSQ-INIZCTEOSA-N 2 1 335.496 1.683 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](C[C@H](CC)OC)C2)C1 ZINC001031919225 701044381 /nfs/dbraw/zinc/04/43/81/701044381.db2.gz OZXWLAOEDYPHSK-IRXDYDNUSA-N 2 1 325.497 1.581 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)C2)cn1 ZINC000941003701 701047174 /nfs/dbraw/zinc/04/71/74/701047174.db2.gz YAUKUFXSAIQUOM-QGZVFWFLSA-N 2 1 347.507 1.479 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)CC2(C)C)cc1 ZINC000941027852 701067995 /nfs/dbraw/zinc/06/79/95/701067995.db2.gz IOCUNWCYMAWXBQ-SFHVURJKSA-N 2 1 347.503 1.613 20 0 EDADMP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CC([NH2+]Cc2ncccn2)C1 ZINC000999169048 706597579 /nfs/dbraw/zinc/59/75/79/706597579.db2.gz OBOADFRNOHICMX-LEOMRAHMSA-N 2 1 343.475 1.430 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000941236963 701427593 /nfs/dbraw/zinc/42/75/93/701427593.db2.gz DLWSTKRJXJNVIP-HZPDHXFCSA-N 2 1 325.497 1.460 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941236963 701427594 /nfs/dbraw/zinc/42/75/94/701427594.db2.gz DLWSTKRJXJNVIP-HZPDHXFCSA-N 2 1 325.497 1.460 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941236963 701427595 /nfs/dbraw/zinc/42/75/95/701427595.db2.gz DLWSTKRJXJNVIP-HZPDHXFCSA-N 2 1 325.497 1.460 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](Cc3ccccc3)C2)CC1 ZINC000941345351 701480761 /nfs/dbraw/zinc/48/07/61/701480761.db2.gz SNIJGPCGDWUTEV-LJQANCHMSA-N 2 1 342.487 1.109 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](Cc3ccccc3)C2)CC1 ZINC000941345351 701480762 /nfs/dbraw/zinc/48/07/62/701480762.db2.gz SNIJGPCGDWUTEV-LJQANCHMSA-N 2 1 342.487 1.109 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCCC3CCC3)C2)CC1 ZINC000941345583 701481066 /nfs/dbraw/zinc/48/10/66/701481066.db2.gz YCBCDUXDKHOECC-LJQANCHMSA-N 2 1 348.535 1.489 20 0 EDADMP CC[NH+]1CC(N2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC2)C1 ZINC000941468270 701549284 /nfs/dbraw/zinc/54/92/84/701549284.db2.gz QYUCJOJKHBBYEO-UHFFFAOYSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCc3ccccc3F)C2)C1 ZINC001032201509 701832348 /nfs/dbraw/zinc/83/23/48/701832348.db2.gz GJZOKLGVGPKPFT-GOSISDBHSA-N 2 1 349.450 1.137 20 0 EDADMP Cc1cccc(OCC[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC001031976580 701967909 /nfs/dbraw/zinc/96/79/09/701967909.db2.gz OQRPIEYMJOMHJA-LPHOPBHVSA-N 2 1 345.487 1.620 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2N(C)C)C1 ZINC001031977819 702037937 /nfs/dbraw/zinc/03/79/37/702037937.db2.gz JCUJPCDKMPSDLZ-QAPCUYQASA-N 2 1 344.503 1.498 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1 ZINC000995800543 702043210 /nfs/dbraw/zinc/04/32/10/702043210.db2.gz GAOIDXDQLYHYQO-IRXDYDNUSA-N 2 1 347.507 1.620 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000995791891 702086857 /nfs/dbraw/zinc/08/68/57/702086857.db2.gz FAPDERNDGNALEW-DLBZAZTESA-N 2 1 347.507 1.620 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cncc(F)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995822457 702092051 /nfs/dbraw/zinc/09/20/51/702092051.db2.gz CADCDPMTAWSXCQ-KBRIMQKVSA-N 2 1 348.466 1.888 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(Cc2cnc(C)cn2)C1 ZINC001032206133 702129082 /nfs/dbraw/zinc/12/90/82/702129082.db2.gz SJANJIFARFBJGW-QGZVFWFLSA-N 2 1 331.464 1.207 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1[NH2+]CC1CC1 ZINC000995900516 702206245 /nfs/dbraw/zinc/20/62/45/702206245.db2.gz YHTVRRLQEKBDSD-QZTJIDSGSA-N 2 1 349.519 1.866 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)co1 ZINC000995900760 702207296 /nfs/dbraw/zinc/20/72/96/702207296.db2.gz ZBFQWHYAQUKMEW-JKSUJKDBSA-N 2 1 334.464 1.650 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)ncn1 ZINC000995921836 702244149 /nfs/dbraw/zinc/24/41/49/702244149.db2.gz YUUOFOREKUHRND-QGZVFWFLSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)nc1 ZINC000995922517 702246234 /nfs/dbraw/zinc/24/62/34/702246234.db2.gz DSONFDOHCLOVNT-WBVHZDCISA-N 2 1 347.507 1.698 20 0 EDADMP CCc1ccc([C@H](O)C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032185666 702304590 /nfs/dbraw/zinc/30/45/90/702304590.db2.gz AVSCXIKZYWMPRP-RTBURBONSA-N 2 1 345.487 1.282 20 0 EDADMP Cc1cnc(CN[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)nc1 ZINC000995975712 702332374 /nfs/dbraw/zinc/33/23/74/702332374.db2.gz JNXFFOHTXMMUBU-HOTGVXAUSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(CN[C@H]2CN(C(=O)[C@@H]3CCCCN3C)CC2(C)C)nc1 ZINC000995975712 702332379 /nfs/dbraw/zinc/33/23/79/702332379.db2.gz JNXFFOHTXMMUBU-HOTGVXAUSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995982921 702343184 /nfs/dbraw/zinc/34/31/84/702343184.db2.gz QQAUQCIRZIFKCM-CVEARBPZSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)o1 ZINC000995986668 702348820 /nfs/dbraw/zinc/34/88/20/702348820.db2.gz ZETPQNPACUCCGU-CVEARBPZSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)cs1 ZINC000944168537 702408570 /nfs/dbraw/zinc/40/85/70/702408570.db2.gz JGHWWUFTVSKNSE-BBRMVZONSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)cs1 ZINC000944168537 702408574 /nfs/dbraw/zinc/40/85/74/702408574.db2.gz JGHWWUFTVSKNSE-BBRMVZONSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)on1 ZINC000995195034 702421614 /nfs/dbraw/zinc/42/16/14/702421614.db2.gz HWHFQBGFIXDQTG-CABCVRRESA-N 2 1 331.420 1.563 20 0 EDADMP Cc1ccncc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944157356 702454300 /nfs/dbraw/zinc/45/43/00/702454300.db2.gz ZPILSFMBVFWFCF-SJLPKXTDSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2cnc(C)cn2)C(C)(C)C1 ZINC000996058738 702467518 /nfs/dbraw/zinc/46/75/18/702467518.db2.gz LIMBIALCKZKPBU-INIZCTEOSA-N 2 1 342.447 1.317 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CC1CCC1 ZINC000996070452 702481535 /nfs/dbraw/zinc/48/15/35/702481535.db2.gz MHEHYCFXJCOJPO-ASPXRTSYSA-N 2 1 347.503 1.476 20 0 EDADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942056482 702504503 /nfs/dbraw/zinc/50/45/03/702504503.db2.gz HWZNJIRTTCPDGZ-CVEARBPZSA-N 2 1 335.496 1.685 20 0 EDADMP COc1ncccc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995549997 702540475 /nfs/dbraw/zinc/54/04/75/702540475.db2.gz GUSRTTIEZQSOHI-CVEARBPZSA-N 2 1 346.475 1.511 20 0 EDADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000354089415 702655433 /nfs/dbraw/zinc/65/54/33/702655433.db2.gz DDSLQBXZFQZWCW-KRWDZBQOSA-N 2 1 325.497 1.676 20 0 EDADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000354089415 702655436 /nfs/dbraw/zinc/65/54/36/702655436.db2.gz DDSLQBXZFQZWCW-KRWDZBQOSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3nccs3)C(C)(C)C2)C1 ZINC000996299707 702690569 /nfs/dbraw/zinc/69/05/69/702690569.db2.gz CRTSKWOSOADPMO-ZIAGYGMSSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3nccs3)C(C)(C)C2)C1 ZINC000996299707 702690571 /nfs/dbraw/zinc/69/05/71/702690571.db2.gz CRTSKWOSOADPMO-ZIAGYGMSSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)n1 ZINC000996299918 702691006 /nfs/dbraw/zinc/69/10/06/702691006.db2.gz GURRBQCQLGQZQP-JKSUJKDBSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)n1 ZINC000996299918 702691008 /nfs/dbraw/zinc/69/10/08/702691008.db2.gz GURRBQCQLGQZQP-JKSUJKDBSA-N 2 1 345.491 1.596 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996300079 702691177 /nfs/dbraw/zinc/69/11/77/702691177.db2.gz JQWKRGPIERDVOC-GOEBONIOSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1nnc(CN[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)o1 ZINC000996301491 702693339 /nfs/dbraw/zinc/69/33/39/702693339.db2.gz UFPLUXLZBICNST-TZMCWYRMSA-N 2 1 335.452 1.189 20 0 EDADMP Cn1nccc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996307310 702695125 /nfs/dbraw/zinc/69/51/25/702695125.db2.gz ASRTVYWKBBUJIY-INIZCTEOSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2(C)C)cn1 ZINC000996308293 702698565 /nfs/dbraw/zinc/69/85/65/702698565.db2.gz FDLCAKBZKPQYCI-MRXNPFEDSA-N 2 1 347.507 1.479 20 0 EDADMP Cc1nnc(CN[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2(C)C)o1 ZINC000996312305 702701117 /nfs/dbraw/zinc/70/11/17/702701117.db2.gz YQVKXUHOJWPQPE-AWEZNQCLSA-N 2 1 349.479 1.437 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)C(C)(C)C1 ZINC000996372837 702740471 /nfs/dbraw/zinc/74/04/71/702740471.db2.gz GUCIQBQDHGIPAQ-LSDHHAIUSA-N 2 1 336.480 1.604 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)no1 ZINC000942257140 702747905 /nfs/dbraw/zinc/74/79/05/702747905.db2.gz JNZMJVWQSZTSMI-YOEHRIQHSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)no1 ZINC000942257140 702747907 /nfs/dbraw/zinc/74/79/07/702747907.db2.gz JNZMJVWQSZTSMI-YOEHRIQHSA-N 2 1 346.475 1.938 20 0 EDADMP CCn1nncc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996465576 702792727 /nfs/dbraw/zinc/79/27/27/702792727.db2.gz WNLUPDOFCVOZMQ-QGZVFWFLSA-N 2 1 348.495 1.251 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996503455 702825125 /nfs/dbraw/zinc/82/51/25/702825125.db2.gz YYXXCJPPQWNFKO-UKRRQHHQSA-N 2 1 349.504 1.493 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]Cc3ccccn3)C(C)(C)C2)C1 ZINC000996516510 702851707 /nfs/dbraw/zinc/85/17/07/702851707.db2.gz AMVGFQYPVYWIDN-NVXWUHKLSA-N 2 1 330.476 1.750 20 0 EDADMP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996606982 702910326 /nfs/dbraw/zinc/91/03/26/702910326.db2.gz BRTLSERMXWTTAK-RHSMWYFYSA-N 2 1 348.491 1.824 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)nn1 ZINC000996608067 702910956 /nfs/dbraw/zinc/91/09/56/702910956.db2.gz AYDTVPLUDONXIX-INIZCTEOSA-N 2 1 348.495 1.281 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996607660 702911156 /nfs/dbraw/zinc/91/11/56/702911156.db2.gz DJVOSJSCSMNKBK-IRXDYDNUSA-N 2 1 330.476 1.668 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3csnn3)CC2)CC[N@@H+]1C ZINC000996604600 702914134 /nfs/dbraw/zinc/91/41/34/702914134.db2.gz VIXHEWRQEWEUFT-LSDHHAIUSA-N 2 1 337.493 1.349 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3csnn3)CC2)CC[N@H+]1C ZINC000996604600 702914135 /nfs/dbraw/zinc/91/41/35/702914135.db2.gz VIXHEWRQEWEUFT-LSDHHAIUSA-N 2 1 337.493 1.349 20 0 EDADMP COc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)c1 ZINC000996614358 702919609 /nfs/dbraw/zinc/91/96/09/702919609.db2.gz MTEHMACTSRFTJY-WMLDXEAASA-N 2 1 346.475 1.369 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cncc(F)c3)C(C)(C)C2)C1 ZINC000996614413 702919655 /nfs/dbraw/zinc/91/96/55/702919655.db2.gz NERPOMVAJPRVHL-ZBFHGGJFSA-N 2 1 334.439 1.499 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000996616049 702923549 /nfs/dbraw/zinc/92/35/49/702923549.db2.gz ADGWMAFEVIFHSL-INIZCTEOSA-N 2 1 327.432 1.613 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ncc(C4CC4)o3)C(C)(C)C2)C1 ZINC000996619063 702925493 /nfs/dbraw/zinc/92/54/93/702925493.db2.gz YKSQSPUVWDTQSJ-GOEBONIOSA-N 2 1 346.475 1.830 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ncc(C4CC4)o3)C(C)(C)C2)C1 ZINC000996619063 702925495 /nfs/dbraw/zinc/92/54/95/702925495.db2.gz YKSQSPUVWDTQSJ-GOEBONIOSA-N 2 1 346.475 1.830 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000942446009 702941856 /nfs/dbraw/zinc/94/18/56/702941856.db2.gz ZOMBRGJUAPBURN-ZBFHGGJFSA-N 2 1 343.431 1.354 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nonc2C)CC1 ZINC000996658915 702945406 /nfs/dbraw/zinc/94/54/06/702945406.db2.gz DKFPAOWINBPLFU-INIZCTEOSA-N 2 1 335.452 1.333 20 0 EDADMP COc1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@H+]2C)ccc1C ZINC001032315747 702980585 /nfs/dbraw/zinc/98/05/85/702980585.db2.gz WUSUWECAUGRUIB-OKZBNKHCSA-N 2 1 343.471 1.883 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000996725126 703019657 /nfs/dbraw/zinc/01/96/57/703019657.db2.gz SBOBXHVESDGQNM-ZFWWWQNUSA-N 2 1 348.495 1.493 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCC(F)(F)F)C[C@H]1C ZINC000942518549 703020025 /nfs/dbraw/zinc/02/00/25/703020025.db2.gz TUUALSBCGBHXIT-DGCLKSJQSA-N 2 1 332.370 1.971 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCC(F)(F)F)C[C@H]1C ZINC000942518549 703020028 /nfs/dbraw/zinc/02/00/28/703020028.db2.gz TUUALSBCGBHXIT-DGCLKSJQSA-N 2 1 332.370 1.971 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000996726051 703020917 /nfs/dbraw/zinc/02/09/17/703020917.db2.gz VRUIHSUTIONSGK-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684938 706716138 /nfs/dbraw/zinc/71/61/38/706716138.db2.gz ZPRCBQNDCZBREW-OALUTQOASA-N 2 1 343.471 1.502 20 0 EDADMP Cc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684938 706716141 /nfs/dbraw/zinc/71/61/41/706716141.db2.gz ZPRCBQNDCZBREW-OALUTQOASA-N 2 1 343.471 1.502 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1 ZINC001032684909 706716529 /nfs/dbraw/zinc/71/65/29/706716529.db2.gz YQTFYHYJQWJGGF-ROUUACIJSA-N 2 1 335.492 1.574 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1 ZINC001032684909 706716532 /nfs/dbraw/zinc/71/65/32/706716532.db2.gz YQTFYHYJQWJGGF-ROUUACIJSA-N 2 1 335.492 1.574 20 0 EDADMP CCn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000942596723 703111104 /nfs/dbraw/zinc/11/11/04/703111104.db2.gz FFUWXUTVTKYHQZ-MAUKXSAKSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000942596723 703111105 /nfs/dbraw/zinc/11/11/05/703111105.db2.gz FFUWXUTVTKYHQZ-MAUKXSAKSA-N 2 1 347.507 1.571 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596772 703111309 /nfs/dbraw/zinc/11/13/09/703111309.db2.gz GDKOQWDNOZSNII-WMLDXEAASA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597975 703112754 /nfs/dbraw/zinc/11/27/54/703112754.db2.gz PCNWOWLPICFSQL-PBHICJAKSA-N 2 1 333.480 1.089 20 0 EDADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996824056 703114238 /nfs/dbraw/zinc/11/42/38/703114238.db2.gz YILXTSKYHLDNDC-KGXSXCIVSA-N 2 1 347.503 1.620 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC000996867488 703140341 /nfs/dbraw/zinc/14/03/41/703140341.db2.gz JUJOYBOULUCPRT-CYBMUJFWSA-N 2 1 349.479 1.894 20 0 EDADMP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032042368 703198610 /nfs/dbraw/zinc/19/86/10/703198610.db2.gz BKPPQRDTPAQAGO-AEFFLSMTSA-N 2 1 335.492 1.620 20 0 EDADMP CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000996995928 703252846 /nfs/dbraw/zinc/25/28/46/703252846.db2.gz UJRILUGKNUYVPH-AWEZNQCLSA-N 2 1 348.495 1.171 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1)c1csnn1 ZINC000996999107 703255934 /nfs/dbraw/zinc/25/59/34/703255934.db2.gz MPDUAEXHMXGQKU-STQMWFEESA-N 2 1 337.493 1.664 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000996999692 703256640 /nfs/dbraw/zinc/25/66/40/703256640.db2.gz RMEFTQXYNFVUIB-APWZRJJASA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000996999692 703256641 /nfs/dbraw/zinc/25/66/41/703256641.db2.gz RMEFTQXYNFVUIB-APWZRJJASA-N 2 1 345.487 1.734 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)no1 ZINC000997000235 703257349 /nfs/dbraw/zinc/25/73/49/703257349.db2.gz OJWCECOHYNNGHH-CHWSQXEVSA-N 2 1 335.452 1.504 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)no1 ZINC000997000235 703257351 /nfs/dbraw/zinc/25/73/51/703257351.db2.gz OJWCECOHYNNGHH-CHWSQXEVSA-N 2 1 335.452 1.504 20 0 EDADMP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000997000634 703257705 /nfs/dbraw/zinc/25/77/05/703257705.db2.gz RVOCLVKNDVTOME-INIZCTEOSA-N 2 1 347.507 1.565 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3ncc(C4CC4)o3)CC2)C1 ZINC000996996984 703260604 /nfs/dbraw/zinc/26/06/04/703260604.db2.gz BAZNWFPTUIVUAA-AWEZNQCLSA-N 2 1 346.475 1.974 20 0 EDADMP CC[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1)C(N)=O ZINC000997063959 703308937 /nfs/dbraw/zinc/30/89/37/703308937.db2.gz RWSYWMSSRKYGFU-CVEARBPZSA-N 2 1 338.496 1.094 20 0 EDADMP C[C@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032408708 703436128 /nfs/dbraw/zinc/43/61/28/703436128.db2.gz DGVZKIPERNGBMN-KKUMJFAQSA-N 2 1 337.443 1.092 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccccc2F)CC[N@@H+]1C ZINC001032411640 703446628 /nfs/dbraw/zinc/44/66/28/703446628.db2.gz UJGMQMVUVKTREG-LAVFITLUSA-N 2 1 345.462 1.994 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccccc2F)CC[N@H+]1C ZINC001032411640 703446630 /nfs/dbraw/zinc/44/66/30/703446630.db2.gz UJGMQMVUVKTREG-LAVFITLUSA-N 2 1 345.462 1.994 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccccc2F)CC[NH+]1C ZINC001032411640 703446632 /nfs/dbraw/zinc/44/66/32/703446632.db2.gz UJGMQMVUVKTREG-LAVFITLUSA-N 2 1 345.462 1.994 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccccc2F)CC[NH+]1C ZINC001032411640 703446633 /nfs/dbraw/zinc/44/66/33/703446633.db2.gz UJGMQMVUVKTREG-LAVFITLUSA-N 2 1 345.462 1.994 20 0 EDADMP Cc1ncsc1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000997183278 703468597 /nfs/dbraw/zinc/46/85/97/703468597.db2.gz JFZJUBXNDZBHKC-CQSZACIVSA-N 2 1 336.505 1.874 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997180380 703470558 /nfs/dbraw/zinc/47/05/58/703470558.db2.gz QGPQNTOOUKAHFG-UONOGXRCSA-N 2 1 349.479 1.615 20 0 EDADMP CCn1ccc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997184288 703473140 /nfs/dbraw/zinc/47/31/40/703473140.db2.gz NWPBWERSWIHRQP-HNNXBMFYSA-N 2 1 333.480 1.325 20 0 EDADMP C[C@@H](NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC[NH+](CCF)CC1 ZINC000997229428 703505243 /nfs/dbraw/zinc/50/52/43/703505243.db2.gz VXGRGSDWAWVGJN-GEMJLEDKSA-N 2 1 339.455 1.036 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000997261384 703540153 /nfs/dbraw/zinc/54/01/53/703540153.db2.gz OOZJIBIXDJYXGT-KBAYOESNSA-N 2 1 337.508 1.866 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)ccn1 ZINC000997297902 703556237 /nfs/dbraw/zinc/55/62/37/703556237.db2.gz HCAXWLAGFULCDW-OAHLLOKOSA-N 2 1 332.448 1.123 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997361161 703598533 /nfs/dbraw/zinc/59/85/33/703598533.db2.gz TWOPSRBILJWTTF-GASCZTMLSA-N 2 1 331.464 1.430 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)o1 ZINC000997368718 703608124 /nfs/dbraw/zinc/60/81/24/703608124.db2.gz UACIOKYEWGEWKI-OAHLLOKOSA-N 2 1 349.479 1.587 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)o1 ZINC000997368718 703608126 /nfs/dbraw/zinc/60/81/26/703608126.db2.gz UACIOKYEWGEWKI-OAHLLOKOSA-N 2 1 349.479 1.587 20 0 EDADMP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032488247 703760721 /nfs/dbraw/zinc/76/07/21/703760721.db2.gz XRARSNGVWNHPMP-XIRDDKMYSA-N 2 1 337.508 1.959 20 0 EDADMP CO[C@@H](C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001032488247 703760723 /nfs/dbraw/zinc/76/07/23/703760723.db2.gz XRARSNGVWNHPMP-XIRDDKMYSA-N 2 1 337.508 1.959 20 0 EDADMP CO[C@@H](C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001032488247 703760724 /nfs/dbraw/zinc/76/07/24/703760724.db2.gz XRARSNGVWNHPMP-XIRDDKMYSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC000997530827 703784802 /nfs/dbraw/zinc/78/48/02/703784802.db2.gz KHWXZIOMDGZZAN-DOTOQJQBSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC000997530827 703784805 /nfs/dbraw/zinc/78/48/05/703784805.db2.gz KHWXZIOMDGZZAN-DOTOQJQBSA-N 2 1 339.524 1.970 20 0 EDADMP Cc1nnsc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997616129 703915253 /nfs/dbraw/zinc/91/52/53/703915253.db2.gz YSNWAAOYSUZWBC-CQSZACIVSA-N 2 1 337.493 1.269 20 0 EDADMP CCn1cc(CC[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)cn1 ZINC000995550972 703955339 /nfs/dbraw/zinc/95/53/39/703955339.db2.gz KXNCXYCTBBDWJT-SJORKVTESA-N 2 1 347.507 1.366 20 0 EDADMP C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CC[NH+](CCCF)CC1 ZINC000997653159 703975659 /nfs/dbraw/zinc/97/56/59/703975659.db2.gz HEZVNAMHXQMARO-ZDUSSCGKSA-N 2 1 340.443 1.926 20 0 EDADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCC1 ZINC001032529628 704027812 /nfs/dbraw/zinc/02/78/12/704027812.db2.gz QIPYKHOJXFGHLO-XRGNVEDSSA-N 2 1 345.487 1.325 20 0 EDADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032529628 704027816 /nfs/dbraw/zinc/02/78/16/704027816.db2.gz QIPYKHOJXFGHLO-XRGNVEDSSA-N 2 1 345.487 1.325 20 0 EDADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032529628 704027820 /nfs/dbraw/zinc/02/78/20/704027820.db2.gz QIPYKHOJXFGHLO-XRGNVEDSSA-N 2 1 345.487 1.325 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033071236 704092052 /nfs/dbraw/zinc/09/20/52/704092052.db2.gz XVGODGUANCUMOI-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033071236 704092054 /nfs/dbraw/zinc/09/20/54/704092054.db2.gz XVGODGUANCUMOI-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033071236 704092056 /nfs/dbraw/zinc/09/20/56/704092056.db2.gz XVGODGUANCUMOI-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033073404 704112858 /nfs/dbraw/zinc/11/28/58/704112858.db2.gz QFLAYXBEWPPZIH-QZTJIDSGSA-N 2 1 347.507 1.634 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033073404 704112860 /nfs/dbraw/zinc/11/28/60/704112860.db2.gz QFLAYXBEWPPZIH-QZTJIDSGSA-N 2 1 347.507 1.634 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033073404 704112863 /nfs/dbraw/zinc/11/28/63/704112863.db2.gz QFLAYXBEWPPZIH-QZTJIDSGSA-N 2 1 347.507 1.634 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033073404 704112865 /nfs/dbraw/zinc/11/28/65/704112865.db2.gz QFLAYXBEWPPZIH-QZTJIDSGSA-N 2 1 347.507 1.634 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCO)CC1 ZINC001004426542 704411999 /nfs/dbraw/zinc/41/19/99/704411999.db2.gz BQPPHMIFTQLPAN-MSOLQXFVSA-N 2 1 337.508 1.555 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004426542 704412001 /nfs/dbraw/zinc/41/20/01/704412001.db2.gz BQPPHMIFTQLPAN-MSOLQXFVSA-N 2 1 337.508 1.555 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004426542 704412002 /nfs/dbraw/zinc/41/20/02/704412002.db2.gz BQPPHMIFTQLPAN-MSOLQXFVSA-N 2 1 337.508 1.555 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001004455737 704449327 /nfs/dbraw/zinc/44/93/27/704449327.db2.gz AIWGXEXNHXIKLZ-MSOLQXFVSA-N 2 1 347.507 1.536 20 0 EDADMP CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001004455737 704449328 /nfs/dbraw/zinc/44/93/28/704449328.db2.gz AIWGXEXNHXIKLZ-MSOLQXFVSA-N 2 1 347.507 1.536 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCF)CC1)C1CC1 ZINC001004455857 704449335 /nfs/dbraw/zinc/44/93/35/704449335.db2.gz BJSRGTKQSNNPQC-DLBZAZTESA-N 2 1 325.472 1.999 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947933701 704564963 /nfs/dbraw/zinc/56/49/63/704564963.db2.gz FJQNCVQREAGQJI-CJNGLKHVSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995608365 704571691 /nfs/dbraw/zinc/57/16/91/704571691.db2.gz VDKDUZGCHWFIHQ-DLBZAZTESA-N 2 1 346.475 1.047 20 0 EDADMP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995608365 704571693 /nfs/dbraw/zinc/57/16/93/704571693.db2.gz VDKDUZGCHWFIHQ-DLBZAZTESA-N 2 1 346.475 1.047 20 0 EDADMP C[C@@H](O)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997728475 704621300 /nfs/dbraw/zinc/62/13/00/704621300.db2.gz HCUUQEZWIDVHDT-IVSAIRAKSA-N 2 1 325.497 1.314 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCF)CC1)C2 ZINC000997747575 704643564 /nfs/dbraw/zinc/64/35/64/704643564.db2.gz JVOBDLSEIAVXEZ-XJKSGUPXSA-N 2 1 336.455 1.940 20 0 EDADMP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)o1 ZINC000997774175 704679033 /nfs/dbraw/zinc/67/90/33/704679033.db2.gz CVYDWPCZYJPRKO-MRXNPFEDSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)[nH]1 ZINC000997777430 704683882 /nfs/dbraw/zinc/68/38/82/704683882.db2.gz UOVWLYHSRYZSRK-MRXNPFEDSA-N 2 1 348.495 1.314 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccn(C)n3)CC2)CC[N@H+]1C ZINC000997793521 704699007 /nfs/dbraw/zinc/69/90/07/704699007.db2.gz QKAQUYSXMITTJP-ZWKOTPCHSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000997864591 704771511 /nfs/dbraw/zinc/77/15/11/704771511.db2.gz KTOKVUARKGLSJG-KRWDZBQOSA-N 2 1 333.480 1.233 20 0 EDADMP CCn1ncc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000997866784 704773393 /nfs/dbraw/zinc/77/33/93/704773393.db2.gz UOPQLDXKGQHXAL-QGZVFWFLSA-N 2 1 348.495 1.111 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2CCC(C[NH2+]CC3CCC3)CC2)no1 ZINC000997875948 704780426 /nfs/dbraw/zinc/78/04/26/704780426.db2.gz IHXSGFLQYREIPI-UHFFFAOYSA-N 2 1 334.464 1.978 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2nc(C)oc2C)CC1 ZINC000997915803 704979379 /nfs/dbraw/zinc/97/93/79/704979379.db2.gz ODTGEQQKCGPPIO-UHFFFAOYSA-N 2 1 345.447 1.825 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCCCC2)C1 ZINC001032587507 705116910 /nfs/dbraw/zinc/11/69/10/705116910.db2.gz JLCJDRPTGWUSOP-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCCCC2)C1 ZINC001032587507 705116914 /nfs/dbraw/zinc/11/69/14/705116914.db2.gz JLCJDRPTGWUSOP-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCCC2)C1 ZINC001032587507 705116920 /nfs/dbraw/zinc/11/69/20/705116920.db2.gz JLCJDRPTGWUSOP-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCCCC2)C1 ZINC001032587507 705116921 /nfs/dbraw/zinc/11/69/21/705116921.db2.gz JLCJDRPTGWUSOP-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CCn1ncc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000998081214 705300940 /nfs/dbraw/zinc/30/09/40/705300940.db2.gz GWVFBPABLZKCSG-OAHLLOKOSA-N 2 1 348.495 1.111 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)no1 ZINC000998080548 705306130 /nfs/dbraw/zinc/30/61/30/705306130.db2.gz DDHFEFURGWUWGZ-UONOGXRCSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)no1 ZINC000998080548 705306135 /nfs/dbraw/zinc/30/61/35/705306135.db2.gz DDHFEFURGWUWGZ-UONOGXRCSA-N 2 1 349.479 1.752 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC000998082462 705309142 /nfs/dbraw/zinc/30/91/42/705309142.db2.gz PPUWEHYPWCHSGB-FUHWJXTLSA-N 2 1 337.508 1.583 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998082558 705310113 /nfs/dbraw/zinc/31/01/13/705310113.db2.gz QSERIENWVRWZJV-MAUKXSAKSA-N 2 1 330.476 1.608 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC[C@H]3CCCCO3)C2)CC1 ZINC001015898516 705420996 /nfs/dbraw/zinc/42/09/96/705420996.db2.gz FRJDRPNOWHVAIZ-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP Cn1cc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000998215678 705536963 /nfs/dbraw/zinc/53/69/63/705536963.db2.gz DNMBHAMRKGDNHY-INIZCTEOSA-N 2 1 333.480 1.090 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)no1 ZINC000998223476 705551156 /nfs/dbraw/zinc/55/11/56/705551156.db2.gz QMUAVESPEYDTIA-CYBMUJFWSA-N 2 1 347.463 1.363 20 0 EDADMP CCc1nc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)no1 ZINC000998223978 705552567 /nfs/dbraw/zinc/55/25/67/705552567.db2.gz USWUILQLLACXCR-UHFFFAOYSA-N 2 1 347.463 1.056 20 0 EDADMP C[N@@H+](CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1)C1CCC1 ZINC000998270836 705650084 /nfs/dbraw/zinc/65/00/84/705650084.db2.gz VMDZJTWYIDJCOZ-OLZOCXBDSA-N 2 1 339.377 1.809 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nncn2C)CC1 ZINC000998286189 705682019 /nfs/dbraw/zinc/68/20/19/705682019.db2.gz HYWIFDYLVLHJDX-MRXNPFEDSA-N 2 1 348.495 1.018 20 0 EDADMP COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629693 705753838 /nfs/dbraw/zinc/75/38/38/705753838.db2.gz IZCHLTTXNFTQKD-MNEFBYGVSA-N 2 1 345.487 1.724 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000998552118 705982916 /nfs/dbraw/zinc/98/29/16/705982916.db2.gz SKUBLMFMUQRSIO-IMRCBTMISA-N 2 1 331.464 1.003 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)n1C ZINC000998548438 705984002 /nfs/dbraw/zinc/98/40/02/705984002.db2.gz IKTUSOSISVUPTP-NRXISQOPSA-N 2 1 348.495 1.112 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000998733134 706166008 /nfs/dbraw/zinc/16/60/08/706166008.db2.gz SSIBNFMUSKADHP-KBPBESRZSA-N 2 1 349.504 1.590 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000998733134 706166010 /nfs/dbraw/zinc/16/60/10/706166010.db2.gz SSIBNFMUSKADHP-KBPBESRZSA-N 2 1 349.504 1.590 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000998762342 706199940 /nfs/dbraw/zinc/19/99/40/706199940.db2.gz BGCQBTNZNATCET-PREGVCBESA-N 2 1 333.480 1.372 20 0 EDADMP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998762803 706200869 /nfs/dbraw/zinc/20/08/69/706200869.db2.gz HISNLTKWJMUESV-JCYILVPMSA-N 2 1 347.507 1.855 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000998866443 706296035 /nfs/dbraw/zinc/29/60/35/706296035.db2.gz JHZKWLUMKSUULF-DAWZGUTISA-N 2 1 337.508 1.866 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)o2)C1 ZINC000998867940 706297525 /nfs/dbraw/zinc/29/75/25/706297525.db2.gz SXPPYNWKGFSBMQ-VMBOVVBDSA-N 2 1 334.464 1.936 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1CC([NH2+]Cc2cn(C)nn2)C1 ZINC000998901600 706338594 /nfs/dbraw/zinc/33/85/94/706338594.db2.gz OUKDOFWSGCCREG-WIHSUSGWSA-N 2 1 348.495 1.157 20 0 EDADMP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998902645 706339070 /nfs/dbraw/zinc/33/90/70/706339070.db2.gz WERFIKSBOZJAAS-XUJLQICISA-N 2 1 342.447 1.273 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)o1 ZINC000998994052 706411341 /nfs/dbraw/zinc/41/13/41/706411341.db2.gz KAHSZGBZVPXTOR-UYSNPLJNSA-N 2 1 334.464 1.855 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnon2)C1 ZINC000999035234 706449947 /nfs/dbraw/zinc/44/99/47/706449947.db2.gz KBHODHGDUYVDPA-AVVWSFFYSA-N 2 1 335.452 1.269 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnon2)C1 ZINC000999035234 706449950 /nfs/dbraw/zinc/44/99/50/706449950.db2.gz KBHODHGDUYVDPA-AVVWSFFYSA-N 2 1 335.452 1.269 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CC3=CCCCC3)C2)C1 ZINC000999863035 707501113 /nfs/dbraw/zinc/50/11/13/707501113.db2.gz SFDNSUSSGMNTGR-DAWZGUTISA-N 2 1 335.492 1.787 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CC3=CCCCC3)C2)C1 ZINC000999863035 707501116 /nfs/dbraw/zinc/50/11/16/707501116.db2.gz SFDNSUSSGMNTGR-DAWZGUTISA-N 2 1 335.492 1.787 20 0 EDADMP Cc1nnc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC[C@@H]3C2)o1 ZINC000946518057 706567884 /nfs/dbraw/zinc/56/78/84/706567884.db2.gz NFGVRJCOKGLHRJ-XHSDSOJGSA-N 2 1 347.463 1.143 20 0 EDADMP Cc1nnc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC[C@@H]3C2)o1 ZINC000946518057 706567885 /nfs/dbraw/zinc/56/78/85/706567885.db2.gz NFGVRJCOKGLHRJ-XHSDSOJGSA-N 2 1 347.463 1.143 20 0 EDADMP Cc1nnc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC[C@@H]3C2)o1 ZINC000946518057 706567886 /nfs/dbraw/zinc/56/78/86/706567886.db2.gz NFGVRJCOKGLHRJ-XHSDSOJGSA-N 2 1 347.463 1.143 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000999353202 706866274 /nfs/dbraw/zinc/86/62/74/706866274.db2.gz LNQASMXXVXXXED-IRXDYDNUSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cs1 ZINC000999369622 706883584 /nfs/dbraw/zinc/88/35/84/706883584.db2.gz JZCDOGYHVPXTBH-HOCLYGCPSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)ncn1 ZINC000999401616 706909122 /nfs/dbraw/zinc/90/91/22/706909122.db2.gz PFYNTQHZNZNSMA-WMZOPIPTSA-N 2 1 345.491 1.740 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999407293 706916674 /nfs/dbraw/zinc/91/66/74/706916674.db2.gz TZKPJZIMBFMVTG-OOHWJJMZSA-N 2 1 333.480 1.026 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)sn1 ZINC000999408632 706918569 /nfs/dbraw/zinc/91/85/69/706918569.db2.gz MJPUMRCIIYACLZ-GRTSSRMGSA-N 2 1 336.505 1.872 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999490528 707026881 /nfs/dbraw/zinc/02/68/81/707026881.db2.gz KSKQMQNJTBYCKD-UHFFFAOYSA-N 2 1 344.463 1.519 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000999572325 707078341 /nfs/dbraw/zinc/07/83/41/707078341.db2.gz CQWUVMAJYGASPX-FUHWJXTLSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999573022 707079215 /nfs/dbraw/zinc/07/92/15/707079215.db2.gz HKBZBVKXHWJADJ-ZBFHGGJFSA-N 2 1 335.452 1.271 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999573022 707079218 /nfs/dbraw/zinc/07/92/18/707079218.db2.gz HKBZBVKXHWJADJ-ZBFHGGJFSA-N 2 1 335.452 1.271 20 0 EDADMP Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999680833 707165443 /nfs/dbraw/zinc/16/54/43/707165443.db2.gz ASSVOFGIOVVPGD-FAEJEUNOSA-N 2 1 330.476 1.811 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000999681526 707166722 /nfs/dbraw/zinc/16/67/22/707166722.db2.gz HQHOVGHCWBCQHS-NFOMZHRRSA-N 2 1 349.479 1.443 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999681526 707166723 /nfs/dbraw/zinc/16/67/23/707166723.db2.gz HQHOVGHCWBCQHS-NFOMZHRRSA-N 2 1 349.479 1.443 20 0 EDADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779036 707235988 /nfs/dbraw/zinc/23/59/88/707235988.db2.gz DPBSOEDSFHSIRD-XDNAFOTISA-N 2 1 337.508 1.534 20 0 EDADMP CO[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779036 707235989 /nfs/dbraw/zinc/23/59/89/707235989.db2.gz DPBSOEDSFHSIRD-XDNAFOTISA-N 2 1 337.508 1.534 20 0 EDADMP CO[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779036 707235991 /nfs/dbraw/zinc/23/59/91/707235991.db2.gz DPBSOEDSFHSIRD-XDNAFOTISA-N 2 1 337.508 1.534 20 0 EDADMP C[C@@H](C[NH2+]Cc1csc(-c2ccn(C)n2)n1)CN1CC[NH+](C)CC1 ZINC000921686491 707286536 /nfs/dbraw/zinc/28/65/36/707286536.db2.gz SZXARIJOGHRXPZ-AWEZNQCLSA-N 2 1 348.520 1.517 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033264847 707286883 /nfs/dbraw/zinc/28/68/83/707286883.db2.gz DOJGKUZPYIAWQG-CVEARBPZSA-N 2 1 334.464 1.539 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033264847 707286887 /nfs/dbraw/zinc/28/68/87/707286887.db2.gz DOJGKUZPYIAWQG-CVEARBPZSA-N 2 1 334.464 1.539 20 0 EDADMP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735114 707298103 /nfs/dbraw/zinc/29/81/03/707298103.db2.gz GRPODFUTRBZOSO-FLXSYLCISA-N 2 1 337.508 1.268 20 0 EDADMP C[C@@H](O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735114 707298104 /nfs/dbraw/zinc/29/81/04/707298104.db2.gz GRPODFUTRBZOSO-FLXSYLCISA-N 2 1 337.508 1.268 20 0 EDADMP C[C@@H](O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735114 707298107 /nfs/dbraw/zinc/29/81/07/707298107.db2.gz GRPODFUTRBZOSO-FLXSYLCISA-N 2 1 337.508 1.268 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)COC)C[C@H]2CC1)[NH+](C)C ZINC000946784400 707308920 /nfs/dbraw/zinc/30/89/20/707308920.db2.gz JGNOEWPRRZORSF-NCOADZHNSA-N 2 1 325.497 1.532 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033181675 707343310 /nfs/dbraw/zinc/34/33/10/707343310.db2.gz JCRFPEHIRMEGAC-SFHVURJKSA-N 2 1 342.487 1.990 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033181675 707343315 /nfs/dbraw/zinc/34/33/15/707343315.db2.gz JCRFPEHIRMEGAC-SFHVURJKSA-N 2 1 342.487 1.990 20 0 EDADMP COCC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297728 707434036 /nfs/dbraw/zinc/43/40/36/707434036.db2.gz SLEFCWTYTABMOE-KRWDZBQOSA-N 2 1 333.476 1.583 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nc(C(F)F)no2)C1 ZINC000999833679 707465467 /nfs/dbraw/zinc/46/54/67/707465467.db2.gz BMQARPGQAJFENH-KPPDAEKUSA-N 2 1 343.378 1.038 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nc(C(F)F)no2)C1 ZINC000999833679 707465469 /nfs/dbraw/zinc/46/54/69/707465469.db2.gz BMQARPGQAJFENH-KPPDAEKUSA-N 2 1 343.378 1.038 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cc(F)ccc2F)C1 ZINC000999833692 707465538 /nfs/dbraw/zinc/46/55/38/707465538.db2.gz BTQIPICRESLGKC-JQRITLKVSA-N 2 1 337.414 1.996 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3F)C2)C1 ZINC000999864522 707504526 /nfs/dbraw/zinc/50/45/26/707504526.db2.gz YAUGWPQQWVKOGU-LEOMRAHMSA-N 2 1 349.450 1.625 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3F)C2)C1 ZINC000999864522 707504529 /nfs/dbraw/zinc/50/45/29/707504529.db2.gz YAUGWPQQWVKOGU-LEOMRAHMSA-N 2 1 349.450 1.625 20 0 EDADMP CC(C)(C(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1)[NH+]1CCCC1 ZINC000999874208 707520282 /nfs/dbraw/zinc/52/02/82/707520282.db2.gz YFURFKFBLHOOCE-OAHLLOKOSA-N 2 1 331.464 1.432 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999910305 707552602 /nfs/dbraw/zinc/55/26/02/707552602.db2.gz USOVPUZSUWJMBN-RCCFBDPRSA-N 2 1 331.460 1.395 20 0 EDADMP C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004879951 707553847 /nfs/dbraw/zinc/55/38/47/707553847.db2.gz TWWYXHKXIKRNRT-QAPCUYQASA-N 2 1 347.507 1.764 20 0 EDADMP Cc1nnc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)o1 ZINC001004927139 707668760 /nfs/dbraw/zinc/66/87/60/707668760.db2.gz NEFSWAGFNZAIPI-CZUORRHYSA-N 2 1 349.479 1.579 20 0 EDADMP CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)nn2)C1 ZINC000999992792 707669784 /nfs/dbraw/zinc/66/97/84/707669784.db2.gz QJCVVXLAMIQIOQ-DOTOQJQBSA-N 2 1 348.495 1.139 20 0 EDADMP CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)nn2)C1 ZINC000999992792 707669788 /nfs/dbraw/zinc/66/97/88/707669788.db2.gz QJCVVXLAMIQIOQ-DOTOQJQBSA-N 2 1 348.495 1.139 20 0 EDADMP CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)nn2)C1 ZINC000999992792 707669791 /nfs/dbraw/zinc/66/97/91/707669791.db2.gz QJCVVXLAMIQIOQ-DOTOQJQBSA-N 2 1 348.495 1.139 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033358036 707678120 /nfs/dbraw/zinc/67/81/20/707678120.db2.gz FXHJFUYGNACZJH-JLJPHGGASA-N 2 1 334.464 1.746 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033358036 707678121 /nfs/dbraw/zinc/67/81/21/707678121.db2.gz FXHJFUYGNACZJH-JLJPHGGASA-N 2 1 334.464 1.746 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033358036 707678123 /nfs/dbraw/zinc/67/81/23/707678123.db2.gz FXHJFUYGNACZJH-JLJPHGGASA-N 2 1 334.464 1.746 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033358036 707678125 /nfs/dbraw/zinc/67/81/25/707678125.db2.gz FXHJFUYGNACZJH-JLJPHGGASA-N 2 1 334.464 1.746 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](NCc3cnsn3)C2)CC[N@H+]1C ZINC001000022207 707688777 /nfs/dbraw/zinc/68/87/77/707688777.db2.gz XQKXAYDBVPERCR-IHRRRGAJSA-N 2 1 337.493 1.349 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(F)(F)C1)C12CC[NH+](CC1)C2 ZINC001032734031 707743250 /nfs/dbraw/zinc/74/32/50/707743250.db2.gz SRKQPANVJXUREJ-KBPBESRZSA-N 2 1 325.403 1.413 20 0 EDADMP Cc1ccncc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033417882 707801195 /nfs/dbraw/zinc/80/11/95/707801195.db2.gz BBKBADAOZWGUIF-YJBOKZPZSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ccncc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033417882 707801198 /nfs/dbraw/zinc/80/11/98/707801198.db2.gz BBKBADAOZWGUIF-YJBOKZPZSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033417882 707801203 /nfs/dbraw/zinc/80/12/03/707801203.db2.gz BBKBADAOZWGUIF-YJBOKZPZSA-N 2 1 330.476 1.765 20 0 EDADMP COc1ncccc1C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001000195666 707833716 /nfs/dbraw/zinc/83/37/16/707833716.db2.gz ZDDKXISRDIRDNW-WBVHZDCISA-N 2 1 346.475 1.513 20 0 EDADMP Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)o1 ZINC001004983335 707864269 /nfs/dbraw/zinc/86/42/69/707864269.db2.gz RIQWEERUQLQVKJ-HOTGVXAUSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cnns1 ZINC001004993158 707875913 /nfs/dbraw/zinc/87/59/13/707875913.db2.gz QICDQVGDDUWZNU-SWLSCSKDSA-N 2 1 348.476 1.602 20 0 EDADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536058 707891426 /nfs/dbraw/zinc/89/14/26/707891426.db2.gz GCIWSMDSFNDBBY-FJIDUMEYSA-N 2 1 337.508 1.534 20 0 EDADMP CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536058 707891430 /nfs/dbraw/zinc/89/14/30/707891430.db2.gz GCIWSMDSFNDBBY-FJIDUMEYSA-N 2 1 337.508 1.534 20 0 EDADMP CC[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536058 707891433 /nfs/dbraw/zinc/89/14/33/707891433.db2.gz GCIWSMDSFNDBBY-FJIDUMEYSA-N 2 1 337.508 1.534 20 0 EDADMP CC[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536058 707891435 /nfs/dbraw/zinc/89/14/35/707891435.db2.gz GCIWSMDSFNDBBY-FJIDUMEYSA-N 2 1 337.508 1.534 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCOc2ccc(F)cc2)C1 ZINC001032780992 707965805 /nfs/dbraw/zinc/96/58/05/707965805.db2.gz GIJBRHJPJRLBJG-XIRDDKMYSA-N 2 1 347.434 1.441 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccc(F)cc2)C1 ZINC001032780992 707965808 /nfs/dbraw/zinc/96/58/08/707965808.db2.gz GIJBRHJPJRLBJG-XIRDDKMYSA-N 2 1 347.434 1.441 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccc(F)cc2)C1 ZINC001032780992 707965810 /nfs/dbraw/zinc/96/58/10/707965810.db2.gz GIJBRHJPJRLBJG-XIRDDKMYSA-N 2 1 347.434 1.441 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOc2ccc(F)cc2)C1 ZINC001032780992 707965811 /nfs/dbraw/zinc/96/58/11/707965811.db2.gz GIJBRHJPJRLBJG-XIRDDKMYSA-N 2 1 347.434 1.441 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOc2ccc(F)cc2)C1 ZINC001032780992 707965813 /nfs/dbraw/zinc/96/58/13/707965813.db2.gz GIJBRHJPJRLBJG-XIRDDKMYSA-N 2 1 347.434 1.441 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCc2ccsc2)C1 ZINC001032781033 707966127 /nfs/dbraw/zinc/96/61/27/707966127.db2.gz HOBKOBATJABTSR-IKGGRYGDSA-N 2 1 333.501 1.918 20 0 EDADMP COc1ccc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001032781144 707968147 /nfs/dbraw/zinc/96/81/47/707968147.db2.gz KMFWOENNEXASHL-SQNIBIBYSA-N 2 1 343.471 1.475 20 0 EDADMP COc1ccc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001032781144 707968150 /nfs/dbraw/zinc/96/81/50/707968150.db2.gz KMFWOENNEXASHL-SQNIBIBYSA-N 2 1 343.471 1.475 20 0 EDADMP COc1ccc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001032781144 707968153 /nfs/dbraw/zinc/96/81/53/707968153.db2.gz KMFWOENNEXASHL-SQNIBIBYSA-N 2 1 343.471 1.475 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032781340 707970575 /nfs/dbraw/zinc/97/05/75/707970575.db2.gz RDCWZKCUZLSKQV-ILXRZTDVSA-N 2 1 334.489 1.231 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001032781340 707970577 /nfs/dbraw/zinc/97/05/77/707970577.db2.gz RDCWZKCUZLSKQV-ILXRZTDVSA-N 2 1 334.489 1.231 20 0 EDADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032781340 707970580 /nfs/dbraw/zinc/97/05/80/707970580.db2.gz RDCWZKCUZLSKQV-ILXRZTDVSA-N 2 1 334.489 1.231 20 0 EDADMP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032781340 707970583 /nfs/dbraw/zinc/97/05/83/707970583.db2.gz RDCWZKCUZLSKQV-ILXRZTDVSA-N 2 1 334.489 1.231 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC001060991627 708112582 /nfs/dbraw/zinc/11/25/82/708112582.db2.gz JANRHELVDTZNBK-CJNGLKHVSA-N 2 1 331.464 1.696 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC001060991627 708112584 /nfs/dbraw/zinc/11/25/84/708112584.db2.gz JANRHELVDTZNBK-CJNGLKHVSA-N 2 1 331.464 1.696 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001033530875 708153359 /nfs/dbraw/zinc/15/33/59/708153359.db2.gz HKEMFXPIQQOXFO-SFHVURJKSA-N 2 1 337.508 1.678 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001001758281 708282203 /nfs/dbraw/zinc/28/22/03/708282203.db2.gz BAGSUCLMHMILCS-ZOBUZTSGSA-N 2 1 325.497 1.580 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033592366 708290700 /nfs/dbraw/zinc/29/07/00/708290700.db2.gz GBBBRJPONNZYDO-HOTGVXAUSA-N 2 1 335.492 1.430 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001033593883 708294521 /nfs/dbraw/zinc/29/45/21/708294521.db2.gz NNVUMAGFCYAFHX-HNNXBMFYSA-N 2 1 333.501 1.919 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001033673280 708465677 /nfs/dbraw/zinc/46/56/77/708465677.db2.gz WWDCEYFEWDCLFZ-CABCVRRESA-N 2 1 345.434 1.285 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001033673280 708465679 /nfs/dbraw/zinc/46/56/79/708465679.db2.gz WWDCEYFEWDCLFZ-CABCVRRESA-N 2 1 345.434 1.285 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001033673280 708465681 /nfs/dbraw/zinc/46/56/81/708465681.db2.gz WWDCEYFEWDCLFZ-CABCVRRESA-N 2 1 345.434 1.285 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001033673280 708465682 /nfs/dbraw/zinc/46/56/82/708465682.db2.gz WWDCEYFEWDCLFZ-CABCVRRESA-N 2 1 345.434 1.285 20 0 EDADMP COCc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001033659444 708470920 /nfs/dbraw/zinc/47/09/20/708470920.db2.gz XGPVQHPEVXEPPF-LJQANCHMSA-N 2 1 345.487 1.962 20 0 EDADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659877 708471664 /nfs/dbraw/zinc/47/16/64/708471664.db2.gz ZKXJIXKQLFMYRY-OAHLLOKOSA-N 2 1 334.464 1.674 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659877 708471666 /nfs/dbraw/zinc/47/16/66/708471666.db2.gz ZKXJIXKQLFMYRY-OAHLLOKOSA-N 2 1 334.464 1.674 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)c(C)o1 ZINC001002043398 708533695 /nfs/dbraw/zinc/53/36/95/708533695.db2.gz PXTALVMFGJWNRR-UHFFFAOYSA-N 2 1 346.475 1.715 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)sn1 ZINC001002127649 708643797 /nfs/dbraw/zinc/64/37/97/708643797.db2.gz UKAVNYQNPFYMEE-OAHLLOKOSA-N 2 1 336.505 1.731 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+]([C@H](C)COC)CC1 ZINC001002156027 708670989 /nfs/dbraw/zinc/67/09/89/708670989.db2.gz FJLVRBCOAQRZQT-WBVHZDCISA-N 2 1 325.497 1.724 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCc2cnn(CC)c2)C1 ZINC001033773967 708672668 /nfs/dbraw/zinc/67/26/68/708672668.db2.gz IJDIBFJRVWYRKH-QZTJIDSGSA-N 2 1 347.507 1.463 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001033773967 708672669 /nfs/dbraw/zinc/67/26/69/708672669.db2.gz IJDIBFJRVWYRKH-QZTJIDSGSA-N 2 1 347.507 1.463 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001033773967 708672671 /nfs/dbraw/zinc/67/26/71/708672671.db2.gz IJDIBFJRVWYRKH-QZTJIDSGSA-N 2 1 347.507 1.463 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033776392 708701772 /nfs/dbraw/zinc/70/17/72/708701772.db2.gz PLLPUGHOWPQFQC-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033776392 708701774 /nfs/dbraw/zinc/70/17/74/708701774.db2.gz PLLPUGHOWPQFQC-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033776392 708701776 /nfs/dbraw/zinc/70/17/76/708701776.db2.gz PLLPUGHOWPQFQC-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033776979 708704217 /nfs/dbraw/zinc/70/42/17/708704217.db2.gz RYCPPXQCCXPTKW-HOCLYGCPSA-N 2 1 336.505 1.703 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCc2ccns2)C1 ZINC001033776979 708704218 /nfs/dbraw/zinc/70/42/18/708704218.db2.gz RYCPPXQCCXPTKW-HOCLYGCPSA-N 2 1 336.505 1.703 20 0 EDADMP C[NH+](C)C1(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000921883455 708783404 /nfs/dbraw/zinc/78/34/04/708783404.db2.gz DNPJBBQHCQYFDP-KRWDZBQOSA-N 2 1 346.475 1.147 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005406853 708936731 /nfs/dbraw/zinc/93/67/31/708936731.db2.gz ICMKZKSGQCQZKY-BFYDXBDKSA-N 2 1 345.491 1.801 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005406853 708936733 /nfs/dbraw/zinc/93/67/33/708936733.db2.gz ICMKZKSGQCQZKY-BFYDXBDKSA-N 2 1 345.491 1.801 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001033926254 709054804 /nfs/dbraw/zinc/05/48/04/709054804.db2.gz AJXNPRIUWFUSAK-ROUUACIJSA-N 2 1 347.507 1.370 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033926254 709054807 /nfs/dbraw/zinc/05/48/07/709054807.db2.gz AJXNPRIUWFUSAK-ROUUACIJSA-N 2 1 347.507 1.370 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033926254 709054810 /nfs/dbraw/zinc/05/48/10/709054810.db2.gz AJXNPRIUWFUSAK-ROUUACIJSA-N 2 1 347.507 1.370 20 0 EDADMP Cc1ccc(CC[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC001002524409 709079536 /nfs/dbraw/zinc/07/95/36/709079536.db2.gz VCRDRNYGBZIREO-IBGZPJMESA-N 2 1 345.487 1.449 20 0 EDADMP Cc1ccc(CC[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC001002524409 709079538 /nfs/dbraw/zinc/07/95/38/709079538.db2.gz VCRDRNYGBZIREO-IBGZPJMESA-N 2 1 345.487 1.449 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2conc2C)C1 ZINC001034013249 709227278 /nfs/dbraw/zinc/22/72/78/709227278.db2.gz MNJUXYKTNUWKMW-INIZCTEOSA-N 2 1 332.448 1.502 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2conc2C)C1 ZINC001034013249 709227282 /nfs/dbraw/zinc/22/72/82/709227282.db2.gz MNJUXYKTNUWKMW-INIZCTEOSA-N 2 1 332.448 1.502 20 0 EDADMP CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034013791 709228432 /nfs/dbraw/zinc/22/84/32/709228432.db2.gz WUYZGDLJVZMSGS-QAPCUYQASA-N 2 1 337.508 1.412 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001034016275 709233073 /nfs/dbraw/zinc/23/30/73/709233073.db2.gz LQDGWOCGHTUYLQ-QGZVFWFLSA-N 2 1 343.475 1.304 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001034016275 709233077 /nfs/dbraw/zinc/23/30/77/709233077.db2.gz LQDGWOCGHTUYLQ-QGZVFWFLSA-N 2 1 343.475 1.304 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001034039187 709271500 /nfs/dbraw/zinc/27/15/00/709271500.db2.gz GGRJKZNRQFTWRA-OALUTQOASA-N 2 1 345.487 1.553 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001034039187 709271501 /nfs/dbraw/zinc/27/15/01/709271501.db2.gz GGRJKZNRQFTWRA-OALUTQOASA-N 2 1 345.487 1.553 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001034039187 709271502 /nfs/dbraw/zinc/27/15/02/709271502.db2.gz GGRJKZNRQFTWRA-OALUTQOASA-N 2 1 345.487 1.553 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005504483 709333990 /nfs/dbraw/zinc/33/39/90/709333990.db2.gz SAQVVQPYVUAUOZ-CRAIPNDOSA-N 2 1 337.508 1.697 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001005504897 709334244 /nfs/dbraw/zinc/33/42/44/709334244.db2.gz VCJRKQGBHKKTAI-HOCLYGCPSA-N 2 1 338.496 1.046 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001005504897 709334247 /nfs/dbraw/zinc/33/42/47/709334247.db2.gz VCJRKQGBHKKTAI-HOCLYGCPSA-N 2 1 338.496 1.046 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CCO)CC2)C1 ZINC000948711022 709372491 /nfs/dbraw/zinc/37/24/91/709372491.db2.gz KHHFAWFYUYJSTF-IAGOWNOFSA-N 2 1 325.497 1.414 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](CCO)CC2)C1 ZINC000948711022 709372493 /nfs/dbraw/zinc/37/24/93/709372493.db2.gz KHHFAWFYUYJSTF-IAGOWNOFSA-N 2 1 325.497 1.414 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CCO)CC2)C1 ZINC000948711022 709372495 /nfs/dbraw/zinc/37/24/95/709372495.db2.gz KHHFAWFYUYJSTF-IAGOWNOFSA-N 2 1 325.497 1.414 20 0 EDADMP CCn1cc(CC[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001034130867 709400298 /nfs/dbraw/zinc/40/02/98/709400298.db2.gz LBGGXYPQFRPFMQ-ROUUACIJSA-N 2 1 347.507 1.510 20 0 EDADMP CCn1cc(CC[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001034130867 709400300 /nfs/dbraw/zinc/40/03/00/709400300.db2.gz LBGGXYPQFRPFMQ-ROUUACIJSA-N 2 1 347.507 1.510 20 0 EDADMP CCn1cc(CC[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001034130867 709400303 /nfs/dbraw/zinc/40/03/03/709400303.db2.gz LBGGXYPQFRPFMQ-ROUUACIJSA-N 2 1 347.507 1.510 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002792619 709400763 /nfs/dbraw/zinc/40/07/63/709400763.db2.gz RDBJKIWPKQQZQW-GOSISDBHSA-N 2 1 347.507 1.682 20 0 EDADMP Cc1ncccc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001034148218 709419046 /nfs/dbraw/zinc/41/90/46/709419046.db2.gz GSZYEYVHDZLOTB-MSOLQXFVSA-N 2 1 346.475 1.191 20 0 EDADMP Cc1ncccc1CN1CCCC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001034148218 709419049 /nfs/dbraw/zinc/41/90/49/709419049.db2.gz GSZYEYVHDZLOTB-MSOLQXFVSA-N 2 1 346.475 1.191 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001002822979 709432808 /nfs/dbraw/zinc/43/28/08/709432808.db2.gz JOCRFCFUFUBZQV-HZPDHXFCSA-N 2 1 337.508 1.602 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CCOC3CCC3)C2)CC[N@H+]1C ZINC001034213801 709565713 /nfs/dbraw/zinc/56/57/13/709565713.db2.gz BAHVMIUGIRTHKG-JFIYKMOQSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCOC3CCC3)C2)CC[NH+]1C ZINC001034213801 709565716 /nfs/dbraw/zinc/56/57/16/709565716.db2.gz BAHVMIUGIRTHKG-JFIYKMOQSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCOC3CCC3)C2)CC[NH+]1C ZINC001034213801 709565719 /nfs/dbraw/zinc/56/57/19/709565719.db2.gz BAHVMIUGIRTHKG-JFIYKMOQSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034228409 709583381 /nfs/dbraw/zinc/58/33/81/709583381.db2.gz DXDUGAFREURYNH-HNNXBMFYSA-N 2 1 339.505 1.776 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1 ZINC001034228409 709583386 /nfs/dbraw/zinc/58/33/86/709583386.db2.gz DXDUGAFREURYNH-HNNXBMFYSA-N 2 1 339.505 1.776 20 0 EDADMP O=C(N[C@@H]1CCCC[N@H+](CCCO)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001034250347 709612639 /nfs/dbraw/zinc/61/26/39/709612639.db2.gz PVERQHQNEFUNKE-SJLPKXTDSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CCCO)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001034250347 709612642 /nfs/dbraw/zinc/61/26/42/709612642.db2.gz PVERQHQNEFUNKE-SJLPKXTDSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CCCO)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001034250347 709612646 /nfs/dbraw/zinc/61/26/46/709612646.db2.gz PVERQHQNEFUNKE-SJLPKXTDSA-N 2 1 337.508 1.747 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CCOC2CCC2)C1 ZINC001034308579 709748783 /nfs/dbraw/zinc/74/87/83/709748783.db2.gz COBFSZLYDSJKCM-INIZCTEOSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CCOC2CCC2)C1 ZINC001034308579 709748784 /nfs/dbraw/zinc/74/87/84/709748784.db2.gz COBFSZLYDSJKCM-INIZCTEOSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001034310014 709753197 /nfs/dbraw/zinc/75/31/97/709753197.db2.gz RVIIONMOMZHRNL-MSOLQXFVSA-N 2 1 348.491 1.979 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001034310014 709753198 /nfs/dbraw/zinc/75/31/98/709753198.db2.gz RVIIONMOMZHRNL-MSOLQXFVSA-N 2 1 348.491 1.979 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034368805 709853585 /nfs/dbraw/zinc/85/35/85/709853585.db2.gz QBXJBBTZBBTDBR-IAGOWNOFSA-N 2 1 325.497 1.462 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCCO)C2)C1 ZINC001034368805 709853590 /nfs/dbraw/zinc/85/35/90/709853590.db2.gz QBXJBBTZBBTDBR-IAGOWNOFSA-N 2 1 325.497 1.462 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCCO)C2)C1 ZINC001034368805 709853596 /nfs/dbraw/zinc/85/35/96/709853596.db2.gz QBXJBBTZBBTDBR-IAGOWNOFSA-N 2 1 325.497 1.462 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3cncs3)C2)C1 ZINC001034393652 709928605 /nfs/dbraw/zinc/92/86/05/709928605.db2.gz FZBBQGDXSQWDRA-LSDHHAIUSA-N 2 1 336.505 1.956 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3cncs3)C2)C1 ZINC001034393652 709928607 /nfs/dbraw/zinc/92/86/07/709928607.db2.gz FZBBQGDXSQWDRA-LSDHHAIUSA-N 2 1 336.505 1.956 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](Cc3cncs3)C2)C1 ZINC001034393652 709928609 /nfs/dbraw/zinc/92/86/09/709928609.db2.gz FZBBQGDXSQWDRA-LSDHHAIUSA-N 2 1 336.505 1.956 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3cncs3)C2)C1 ZINC001034393652 709928611 /nfs/dbraw/zinc/92/86/11/709928611.db2.gz FZBBQGDXSQWDRA-LSDHHAIUSA-N 2 1 336.505 1.956 20 0 EDADMP Cn1nncc1CN1CCCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034394939 709931703 /nfs/dbraw/zinc/93/17/03/709931703.db2.gz SGDCPVYKGPBWQD-OAHLLOKOSA-N 2 1 348.495 1.018 20 0 EDADMP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034524154 710172499 /nfs/dbraw/zinc/17/24/99/710172499.db2.gz DNERFANUYSBJKO-HZPDHXFCSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034524154 710172500 /nfs/dbraw/zinc/17/25/00/710172500.db2.gz DNERFANUYSBJKO-HZPDHXFCSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034524154 710172501 /nfs/dbraw/zinc/17/25/01/710172501.db2.gz DNERFANUYSBJKO-HZPDHXFCSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034524154 710172502 /nfs/dbraw/zinc/17/25/02/710172502.db2.gz DNERFANUYSBJKO-HZPDHXFCSA-N 2 1 331.464 1.207 20 0 EDADMP CO[C@@H](C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1)C1CCC1 ZINC001034528680 710182408 /nfs/dbraw/zinc/18/24/08/710182408.db2.gz PEXNUNMDGGCSNY-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001034529454 710184192 /nfs/dbraw/zinc/18/41/92/710184192.db2.gz HLFUEHZPLLIBME-IRXDYDNUSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001034529454 710184194 /nfs/dbraw/zinc/18/41/94/710184194.db2.gz HLFUEHZPLLIBME-IRXDYDNUSA-N 2 1 348.491 1.977 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034538133 710210719 /nfs/dbraw/zinc/21/07/19/710210719.db2.gz JCLNDEMYGQVTQD-ZWKOTPCHSA-N 2 1 347.507 1.765 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034538133 710210721 /nfs/dbraw/zinc/21/07/21/710210721.db2.gz JCLNDEMYGQVTQD-ZWKOTPCHSA-N 2 1 347.507 1.765 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cnn(C)c2)C1 ZINC001034538133 710210723 /nfs/dbraw/zinc/21/07/23/710210723.db2.gz JCLNDEMYGQVTQD-ZWKOTPCHSA-N 2 1 347.507 1.765 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001034538133 710210726 /nfs/dbraw/zinc/21/07/26/710210726.db2.gz JCLNDEMYGQVTQD-ZWKOTPCHSA-N 2 1 347.507 1.765 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001034606783 710269956 /nfs/dbraw/zinc/26/99/56/710269956.db2.gz CYGOIBIAFYZSTP-JYJNAYRXSA-N 2 1 334.464 1.903 20 0 EDADMP COc1nccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001034611195 710285791 /nfs/dbraw/zinc/28/57/91/710285791.db2.gz ISDOCVOUWSQOKT-DZKIICNBSA-N 2 1 347.463 1.096 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034642237 710317773 /nfs/dbraw/zinc/31/77/73/710317773.db2.gz DBERPKTZIVSFEY-KZNAEPCWSA-N 2 1 347.507 1.773 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001034647579 710324333 /nfs/dbraw/zinc/32/43/33/710324333.db2.gz MMJOPERZODZPSM-CCECPURYSA-N 2 1 349.479 1.796 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnn(C)n3)CC2)CC[N@H+]1C ZINC001034649623 710326372 /nfs/dbraw/zinc/32/63/72/710326372.db2.gz NWJJMJXTQNTAGD-NXNVCVFFSA-N 2 1 348.495 1.062 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC001003626287 710455641 /nfs/dbraw/zinc/45/56/41/710455641.db2.gz APXGUAVKLXGRHX-INIZCTEOSA-N 2 1 347.507 1.565 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CCc2ccns2)CC1 ZINC001003627990 710457932 /nfs/dbraw/zinc/45/79/32/710457932.db2.gz LGUVTATXIXLMSD-AWEZNQCLSA-N 2 1 336.505 1.751 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001003636111 710463042 /nfs/dbraw/zinc/46/30/42/710463042.db2.gz SNPJUTZQTPWLMF-KBXCAEBGSA-N 2 1 347.507 1.278 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC001003636116 710463065 /nfs/dbraw/zinc/46/30/65/710463065.db2.gz SRPDCBIFUIRZJY-CXAGYDPISA-N 2 1 346.475 1.830 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC001003636116 710463066 /nfs/dbraw/zinc/46/30/66/710463066.db2.gz SRPDCBIFUIRZJY-CXAGYDPISA-N 2 1 346.475 1.830 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003745369 710528125 /nfs/dbraw/zinc/52/81/25/710528125.db2.gz PEYFQSYNDBRSBG-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034658754 710587620 /nfs/dbraw/zinc/58/76/20/710587620.db2.gz FBFNBLRFKVTHEK-BZSNNMDCSA-N 2 1 347.507 1.812 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](CC2CCOCC2)CC1 ZINC001005589534 710643877 /nfs/dbraw/zinc/64/38/77/710643877.db2.gz RBXHKSWAVZANRC-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001034716978 710862783 /nfs/dbraw/zinc/86/27/83/710862783.db2.gz UZSZVZZBNQJWRY-TUUVXOQKSA-N 2 1 349.479 1.625 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCOCC3)CC2)C1 ZINC001034733276 710912975 /nfs/dbraw/zinc/91/29/75/710912975.db2.gz AGCRJLCJJDIAHJ-SZMVWBNQSA-N 2 1 337.508 1.772 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](C)O)CC1)C2 ZINC001034733819 710914273 /nfs/dbraw/zinc/91/42/73/710914273.db2.gz DMZLMTDVXMGDCA-SLBVQIDZSA-N 2 1 334.464 1.152 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC001034734491 710916557 /nfs/dbraw/zinc/91/65/57/710916557.db2.gz PXEJGLTVFNVDIL-KKUMJFAQSA-N 2 1 349.479 1.491 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC001034734491 710916560 /nfs/dbraw/zinc/91/65/60/710916560.db2.gz PXEJGLTVFNVDIL-KKUMJFAQSA-N 2 1 349.479 1.491 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034738140 710952912 /nfs/dbraw/zinc/95/29/12/710952912.db2.gz QIFWOWXZFQXYSP-MWQQHZPXSA-N 2 1 333.480 1.135 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC001032960204 710968695 /nfs/dbraw/zinc/96/86/95/710968695.db2.gz OXRZWTCUHLFWSF-NVXWUHKLSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCOc2ccccc2F)C1 ZINC001032960204 710968699 /nfs/dbraw/zinc/96/86/99/710968699.db2.gz OXRZWTCUHLFWSF-NVXWUHKLSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC001032960204 710968701 /nfs/dbraw/zinc/96/87/01/710968701.db2.gz OXRZWTCUHLFWSF-NVXWUHKLSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC001032960204 710968705 /nfs/dbraw/zinc/96/87/05/710968705.db2.gz OXRZWTCUHLFWSF-NVXWUHKLSA-N 2 1 349.450 1.831 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001005712361 711097100 /nfs/dbraw/zinc/09/71/00/711097100.db2.gz CPANRXPQVXWDFO-WBVHZDCISA-N 2 1 334.464 1.682 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2ncc(C)cn2)CC1 ZINC001034794666 711111622 /nfs/dbraw/zinc/11/16/22/711111622.db2.gz NJVSJSUDHZEHOQ-WKILWMFISA-N 2 1 342.447 1.507 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001003969514 711117461 /nfs/dbraw/zinc/11/74/61/711117461.db2.gz XINDDSCARFVGRU-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001003969514 711117466 /nfs/dbraw/zinc/11/74/66/711117466.db2.gz XINDDSCARFVGRU-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1csnn1 ZINC001034793215 711122289 /nfs/dbraw/zinc/12/22/89/711122289.db2.gz SPVZQZAQPBGHOB-XUXIUFHCSA-N 2 1 337.493 1.568 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccn2C)CC1 ZINC001034797163 711130581 /nfs/dbraw/zinc/13/05/81/711130581.db2.gz XOZDMQSCHAYRON-ULQDDVLXSA-N 2 1 347.507 1.812 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003977847 711150798 /nfs/dbraw/zinc/15/07/98/711150798.db2.gz YTAVICUJZOGXDI-CABCVRRESA-N 2 1 331.464 1.460 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003977847 711150802 /nfs/dbraw/zinc/15/08/02/711150802.db2.gz YTAVICUJZOGXDI-CABCVRRESA-N 2 1 331.464 1.460 20 0 EDADMP CCCn1c(C)nnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001034880975 711279903 /nfs/dbraw/zinc/27/99/03/711279903.db2.gz AIPHNOOWFIWEJX-CVEARBPZSA-N 2 1 348.495 1.171 20 0 EDADMP CCCn1c(C)nnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001034880975 711279906 /nfs/dbraw/zinc/27/99/06/711279906.db2.gz AIPHNOOWFIWEJX-CVEARBPZSA-N 2 1 348.495 1.171 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001034958865 711432826 /nfs/dbraw/zinc/43/28/26/711432826.db2.gz MVUIUFXYLBLUQS-QZTJIDSGSA-N 2 1 347.507 1.764 20 0 EDADMP Cn1nccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001034959373 711434456 /nfs/dbraw/zinc/43/44/56/711434456.db2.gz YELLAVPPFSZTOT-CVEARBPZSA-N 2 1 342.447 1.275 20 0 EDADMP Cc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001034941911 711447258 /nfs/dbraw/zinc/44/72/58/711447258.db2.gz RHWZRKVFLOWIBQ-IAGOWNOFSA-N 2 1 343.475 1.207 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)[C@@H]1C(C)C ZINC000922394350 711460576 /nfs/dbraw/zinc/46/05/76/711460576.db2.gz VOARBEKYTLLVBZ-XSYGEPLQSA-N 2 1 345.487 1.745 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001004150003 711564795 /nfs/dbraw/zinc/56/47/95/711564795.db2.gz QFAMMSSBAAIJBT-HUUCEWRRSA-N 2 1 331.464 1.378 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001004150003 711564797 /nfs/dbraw/zinc/56/47/97/711564797.db2.gz QFAMMSSBAAIJBT-HUUCEWRRSA-N 2 1 331.464 1.378 20 0 EDADMP Cc1cccc(OCC[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001004150798 711566694 /nfs/dbraw/zinc/56/66/94/711566694.db2.gz UHMTYNUGPFJLCS-QGZVFWFLSA-N 2 1 345.487 1.906 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1)C1CC1 ZINC000946623887 711925460 /nfs/dbraw/zinc/92/54/60/711925460.db2.gz RWWALISPCDYLOW-YSHGAJCASA-N 2 1 349.519 1.534 20 0 EDADMP Cc1nc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)co1 ZINC001033143721 711953057 /nfs/dbraw/zinc/95/30/57/711953057.db2.gz KKVQJKWTYUHRJB-FUHWJXTLSA-N 2 1 348.491 1.994 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033144434 711979564 /nfs/dbraw/zinc/97/95/64/711979564.db2.gz XGJYUNHIUCPHFL-MSOLQXFVSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033144434 711979566 /nfs/dbraw/zinc/97/95/66/711979566.db2.gz XGJYUNHIUCPHFL-MSOLQXFVSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033144434 711979567 /nfs/dbraw/zinc/97/95/67/711979567.db2.gz XGJYUNHIUCPHFL-MSOLQXFVSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1)[NH+](C)C ZINC000946633223 712055461 /nfs/dbraw/zinc/05/54/61/712055461.db2.gz NQEYJADETFVPLZ-BBWFWOEESA-N 2 1 325.497 1.125 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCN(Cc2ccn(C)n2)C1 ZINC001033151118 712117475 /nfs/dbraw/zinc/11/74/75/712117475.db2.gz IIMSTANHVSQLPT-QZTJIDSGSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC000370536397 712330737 /nfs/dbraw/zinc/33/07/37/712330737.db2.gz SFJOAZQTHWQKFA-QZTJIDSGSA-N 2 1 337.508 1.581 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557594742 306230365 /nfs/dbraw/zinc/23/03/65/306230365.db2.gz AKBSZKKIIVKJBH-IEBWSBKVSA-N 2 1 344.503 1.261 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000558554469 306239684 /nfs/dbraw/zinc/23/96/84/306239684.db2.gz BEGAINQWRSAHBV-LJQANCHMSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000558554469 306239685 /nfs/dbraw/zinc/23/96/85/306239685.db2.gz BEGAINQWRSAHBV-LJQANCHMSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000165838746 530069699 /nfs/dbraw/zinc/06/96/99/530069699.db2.gz QXBBEHSFDQIHKI-HOTGVXAUSA-N 2 1 344.459 1.530 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2CCOC2)CC1 ZINC000178338198 232140693 /nfs/dbraw/zinc/14/06/93/232140693.db2.gz HGPKEEXAUDFYEZ-GOSISDBHSA-N 2 1 345.487 1.608 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2CCOC2)CC1 ZINC000178338198 232140696 /nfs/dbraw/zinc/14/06/96/232140696.db2.gz HGPKEEXAUDFYEZ-GOSISDBHSA-N 2 1 345.487 1.608 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000178571792 232264112 /nfs/dbraw/zinc/26/41/12/232264112.db2.gz PVZQQCYDBYCPNK-CABCVRRESA-N 2 1 334.439 1.143 20 0 EDADMP CC[N@H+](CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000102480237 219207347 /nfs/dbraw/zinc/20/73/47/219207347.db2.gz ACVOSRFDGCYBJD-UHFFFAOYSA-N 2 1 346.519 1.651 20 0 EDADMP CC[N@@H+](CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000102480237 219207350 /nfs/dbraw/zinc/20/73/50/219207350.db2.gz ACVOSRFDGCYBJD-UHFFFAOYSA-N 2 1 346.519 1.651 20 0 EDADMP CCOC(=O)CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000066666569 215065950 /nfs/dbraw/zinc/06/59/50/215065950.db2.gz ONIUYCAJIMUPHI-UHFFFAOYSA-N 2 1 333.476 1.689 20 0 EDADMP CCOC(=O)CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000066666569 215065952 /nfs/dbraw/zinc/06/59/52/215065952.db2.gz ONIUYCAJIMUPHI-UHFFFAOYSA-N 2 1 333.476 1.689 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000333232559 539626202 /nfs/dbraw/zinc/62/62/02/539626202.db2.gz CIFVYIRIIKTAHP-QBYUYEEZSA-N 2 1 333.480 1.307 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339070774 539700535 /nfs/dbraw/zinc/70/05/35/539700535.db2.gz OYJZSRWCQDPWKM-CABCVRRESA-N 2 1 338.473 1.685 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339070774 539700540 /nfs/dbraw/zinc/70/05/40/539700540.db2.gz OYJZSRWCQDPWKM-CABCVRRESA-N 2 1 338.473 1.685 20 0 EDADMP CO[C@H]1COCC[C@H]1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000562640170 306304181 /nfs/dbraw/zinc/30/41/81/306304181.db2.gz ITCVJQRXNHNQNB-YOEHRIQHSA-N 2 1 348.447 1.214 20 0 EDADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)COc1ccc(F)c(F)c1 ZINC000166517094 539927603 /nfs/dbraw/zinc/92/76/03/539927603.db2.gz PTTURXLPISNIMI-BFHYXJOUSA-N 2 1 326.387 1.921 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000562794262 306309265 /nfs/dbraw/zinc/30/92/65/306309265.db2.gz DQVRXTHGCPDOJU-AEFFLSMTSA-N 2 1 330.476 1.950 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000562807379 306309809 /nfs/dbraw/zinc/30/98/09/306309809.db2.gz KZYFHHGCTJQGGJ-VVLHAWIVSA-N 2 1 338.496 1.541 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C1CCCCC1 ZINC000562838483 306310998 /nfs/dbraw/zinc/31/09/98/306310998.db2.gz GVEQNVQLKIDHKB-INIZCTEOSA-N 2 1 334.468 1.165 20 0 EDADMP CN(C(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C1CCCCC1 ZINC000562838483 306310999 /nfs/dbraw/zinc/31/09/99/306310999.db2.gz GVEQNVQLKIDHKB-INIZCTEOSA-N 2 1 334.468 1.165 20 0 EDADMP CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N3CC[NH+](CC)CC3)c(F)c2)C1 ZINC000412850989 304041859 /nfs/dbraw/zinc/04/18/59/304041859.db2.gz VIPYDYMNCOTYHE-MRXNPFEDSA-N 2 1 348.466 1.792 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)c2ccc(N3CC[NH+](CC)CC3)c(F)c2)C1 ZINC000412850989 304041860 /nfs/dbraw/zinc/04/18/60/304041860.db2.gz VIPYDYMNCOTYHE-MRXNPFEDSA-N 2 1 348.466 1.792 20 0 EDADMP CCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000167070915 540078796 /nfs/dbraw/zinc/07/87/96/540078796.db2.gz CBMUZFJQYRGXFC-JKSUJKDBSA-N 2 1 331.526 1.605 20 0 EDADMP CCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000167070915 540078801 /nfs/dbraw/zinc/07/88/01/540078801.db2.gz CBMUZFJQYRGXFC-JKSUJKDBSA-N 2 1 331.526 1.605 20 0 EDADMP C[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000563321651 306327351 /nfs/dbraw/zinc/32/73/51/306327351.db2.gz LHPKZQYKWBCGOP-MAUKXSAKSA-N 2 1 330.476 1.875 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000563333517 306327767 /nfs/dbraw/zinc/32/77/67/306327767.db2.gz CLOPRCKTKSVBMJ-FXAWDEMLSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000563333517 306327768 /nfs/dbraw/zinc/32/77/68/306327768.db2.gz CLOPRCKTKSVBMJ-FXAWDEMLSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(Br)c1 ZINC000038030987 213194570 /nfs/dbraw/zinc/19/45/70/213194570.db2.gz QEVVDXRZQUGWJM-UHFFFAOYSA-N 2 1 326.238 1.313 20 0 EDADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(Br)c1 ZINC000038030987 213194573 /nfs/dbraw/zinc/19/45/73/213194573.db2.gz QEVVDXRZQUGWJM-UHFFFAOYSA-N 2 1 326.238 1.313 20 0 EDADMP Cc1ncsc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093142994 138291872 /nfs/dbraw/zinc/29/18/72/138291872.db2.gz BODPFCMGMBASKI-UHFFFAOYSA-N 2 1 336.505 1.828 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000563586531 306340196 /nfs/dbraw/zinc/34/01/96/306340196.db2.gz QCIZBDLBJRZLIR-HZPDHXFCSA-N 2 1 326.485 1.175 20 0 EDADMP CC(C)c1nc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)no1 ZINC000119529120 138314360 /nfs/dbraw/zinc/31/43/60/138314360.db2.gz GSLXDMVQZHMBOO-XYPWUTKMSA-N 2 1 333.480 1.936 20 0 EDADMP CCOc1ncccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000124385329 138326261 /nfs/dbraw/zinc/32/62/61/138326261.db2.gz XPFGGVJCNILMMB-UHFFFAOYSA-N 2 1 346.475 1.769 20 0 EDADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000186769148 236013486 /nfs/dbraw/zinc/01/34/86/236013486.db2.gz AKCSIUHIYBJZRB-RYQLBKOJSA-N 2 1 330.476 1.089 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cn1 ZINC000187035114 236100178 /nfs/dbraw/zinc/10/01/78/236100178.db2.gz BPQNEBDZDGUZFD-CYBMUJFWSA-N 2 1 348.472 1.879 20 0 EDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1c[nH+]cn1C ZINC000563826127 306349038 /nfs/dbraw/zinc/34/90/38/306349038.db2.gz CPTLMNPOPXZSOV-NSHDSACASA-N 2 1 339.237 1.565 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)Cc1cn3c(n1)CCCC3)CC2 ZINC000563963960 306353611 /nfs/dbraw/zinc/35/36/11/306353611.db2.gz GCAJIUCTGXUTMK-CQSZACIVSA-N 2 1 327.432 1.945 20 0 EDADMP C[C@@H](CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C[NH+](C)C ZINC000355730046 295965691 /nfs/dbraw/zinc/96/56/91/295965691.db2.gz HBICIYYRSXDVMU-WMZOPIPTSA-N 2 1 332.492 1.289 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[N@H+]1C1CC1 ZINC000333137066 291138154 /nfs/dbraw/zinc/13/81/54/291138154.db2.gz CNHWULHPDLEUKC-SOEBMCCKSA-N 2 1 349.523 1.127 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NC2CCC([NH+]3CCNCC3)CC2)C[N@@H+]1C1CC1 ZINC000333137066 291138156 /nfs/dbraw/zinc/13/81/56/291138156.db2.gz CNHWULHPDLEUKC-SOEBMCCKSA-N 2 1 349.523 1.127 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NC2CCC([NH+]3CCNCC3)CC2)C[N@H+]1C1CC1 ZINC000333137066 291138160 /nfs/dbraw/zinc/13/81/60/291138160.db2.gz CNHWULHPDLEUKC-SOEBMCCKSA-N 2 1 349.523 1.127 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000565256119 306379703 /nfs/dbraw/zinc/37/97/03/306379703.db2.gz WOCFEORKXALDLU-DAYGRLMNSA-N 2 1 346.475 1.457 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000130781598 223176871 /nfs/dbraw/zinc/17/68/71/223176871.db2.gz CQNJITBPIJAYDK-CYBMUJFWSA-N 2 1 343.431 1.640 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000130781598 223176872 /nfs/dbraw/zinc/17/68/72/223176872.db2.gz CQNJITBPIJAYDK-CYBMUJFWSA-N 2 1 343.431 1.640 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000414693663 304128502 /nfs/dbraw/zinc/12/85/02/304128502.db2.gz FDBBPMJBDZRBCA-DLBZAZTESA-N 2 1 344.459 1.478 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000414699109 304129177 /nfs/dbraw/zinc/12/91/77/304129177.db2.gz RRGDXXLPJPCXFM-GOEBONIOSA-N 2 1 345.443 1.750 20 0 EDADMP C[C@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[NH+]1CCSCC1 ZINC000133228690 223397985 /nfs/dbraw/zinc/39/79/85/223397985.db2.gz VTPXTNAHGUZNDO-NVXWUHKLSA-N 2 1 335.517 1.713 20 0 EDADMP CCC1CCC([N@@H+](CCO)C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414739942 304135285 /nfs/dbraw/zinc/13/52/85/304135285.db2.gz CLSOEJVABSNHRH-AQFXKWCLSA-N 2 1 325.497 1.447 20 0 EDADMP CC[C@H]1CN(c2ccccc2)CC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414750092 304136950 /nfs/dbraw/zinc/13/69/50/304136950.db2.gz ZIVOCFIGXYTDME-MSOLQXFVSA-N 2 1 344.503 1.785 20 0 EDADMP FC1(F)Oc2cccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)c2O1 ZINC000414793728 304141336 /nfs/dbraw/zinc/14/13/36/304141336.db2.gz SMWDPEAWNZBBJQ-CYBMUJFWSA-N 2 1 325.359 1.488 20 0 EDADMP FC1(F)Oc2cccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)c2O1 ZINC000414793728 304141337 /nfs/dbraw/zinc/14/13/37/304141337.db2.gz SMWDPEAWNZBBJQ-CYBMUJFWSA-N 2 1 325.359 1.488 20 0 EDADMP CCOc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414802453 304142705 /nfs/dbraw/zinc/14/27/05/304142705.db2.gz MWKYRFNURSMCKF-XJKSGUPXSA-N 2 1 349.475 1.768 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000414841295 304146472 /nfs/dbraw/zinc/14/64/72/304146472.db2.gz LHXRHPASPFLLNO-INIZCTEOSA-N 2 1 332.448 1.335 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000414849503 304147472 /nfs/dbraw/zinc/14/74/72/304147472.db2.gz HDVFFXLRZGFVKE-GASCZTMLSA-N 2 1 346.475 1.724 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000415048196 304154245 /nfs/dbraw/zinc/15/42/45/304154245.db2.gz WYEJPMOKOOOVKH-UKRRQHHQSA-N 2 1 332.448 1.334 20 0 EDADMP CCOc1c(Br)cc(C[N@H+](C)C[C@H](O)C[NH3+])cc1OC ZINC000415054189 304154984 /nfs/dbraw/zinc/15/49/84/304154984.db2.gz LFLDBGBYMZBMRV-LLVKDONJSA-N 2 1 347.253 1.608 20 0 EDADMP CCOc1c(Br)cc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1OC ZINC000415054189 304154986 /nfs/dbraw/zinc/15/49/86/304154986.db2.gz LFLDBGBYMZBMRV-LLVKDONJSA-N 2 1 347.253 1.608 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000195162767 139008265 /nfs/dbraw/zinc/00/82/65/139008265.db2.gz MDSKEOQIPYKTSR-DLBZAZTESA-N 2 1 330.476 1.313 20 0 EDADMP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3CSC[NH2+]3)CC2)c1 ZINC000195163021 139008267 /nfs/dbraw/zinc/00/82/67/139008267.db2.gz KUMNZRBWTSNVHP-QGZVFWFLSA-N 2 1 348.516 1.286 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195247479 139011399 /nfs/dbraw/zinc/01/13/99/139011399.db2.gz YCHSHFDLKYKYDI-ZACQAIPSSA-N 2 1 331.435 1.716 20 0 EDADMP CCOc1cccc(C[NH+]2CCC(O)(C[NH3+])CC2)c1OC(F)F ZINC000415143344 304164350 /nfs/dbraw/zinc/16/43/50/304164350.db2.gz SCCASPBGQAXSIJ-UHFFFAOYSA-N 2 1 330.375 1.972 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000236923276 139035262 /nfs/dbraw/zinc/03/52/62/139035262.db2.gz WSVDVLQCUSOPMT-QRQLOZEOSA-N 2 1 346.519 1.855 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000236923276 139035263 /nfs/dbraw/zinc/03/52/63/139035263.db2.gz WSVDVLQCUSOPMT-QRQLOZEOSA-N 2 1 346.519 1.855 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000236923276 139035264 /nfs/dbraw/zinc/03/52/64/139035264.db2.gz WSVDVLQCUSOPMT-QRQLOZEOSA-N 2 1 346.519 1.855 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000236881110 139034049 /nfs/dbraw/zinc/03/40/49/139034049.db2.gz FFULNWJVEWOULR-PXAZEXFGSA-N 2 1 333.480 1.894 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000236902516 139034656 /nfs/dbraw/zinc/03/46/56/139034656.db2.gz ASPIYKFXWRLTFI-ZOBUZTSGSA-N 2 1 333.480 1.082 20 0 EDADMP COCC[NH2+]CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000237195029 139043606 /nfs/dbraw/zinc/04/36/06/139043606.db2.gz MMKRHFMSURZCQQ-INIZCTEOSA-N 2 1 339.867 1.829 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)nc(C)[nH+]1 ZINC000237289694 139046770 /nfs/dbraw/zinc/04/67/70/139046770.db2.gz HMEAFPFDRIJPCV-LSDHHAIUSA-N 2 1 331.464 1.648 20 0 EDADMP C[C@@H](CCNC(=O)C[NH2+]C[C@@H]1CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000237559975 139054078 /nfs/dbraw/zinc/05/40/78/139054078.db2.gz VUTKWFXUWBEWFX-WMZOPIPTSA-N 2 1 333.476 1.782 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000237587934 139054839 /nfs/dbraw/zinc/05/48/39/139054839.db2.gz WATHQLFIWIUXBO-QRQLOZEOSA-N 2 1 345.487 1.924 20 0 EDADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000237737778 139059285 /nfs/dbraw/zinc/05/92/85/139059285.db2.gz XPRQLZNFDIARKE-DLBZAZTESA-N 2 1 330.476 1.013 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000081292242 217378831 /nfs/dbraw/zinc/37/88/31/217378831.db2.gz HOZGGYFQKUWZFE-SFHVURJKSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000081292242 217378833 /nfs/dbraw/zinc/37/88/33/217378833.db2.gz HOZGGYFQKUWZFE-SFHVURJKSA-N 2 1 331.460 1.345 20 0 EDADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415258254 304180221 /nfs/dbraw/zinc/18/02/21/304180221.db2.gz KTJCIJCBTHSBSM-BBRMVZONSA-N 2 1 332.448 1.588 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415258254 304180222 /nfs/dbraw/zinc/18/02/22/304180222.db2.gz KTJCIJCBTHSBSM-BBRMVZONSA-N 2 1 332.448 1.588 20 0 EDADMP CN(C)[C@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000245699940 139083586 /nfs/dbraw/zinc/08/35/86/139083586.db2.gz NCLBLUNJNCXZQP-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP C[NH+](C)[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000245699940 139083587 /nfs/dbraw/zinc/08/35/87/139083587.db2.gz NCLBLUNJNCXZQP-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP C[NH+](C)[C@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000245699940 139083588 /nfs/dbraw/zinc/08/35/88/139083588.db2.gz NCLBLUNJNCXZQP-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000246110245 139095120 /nfs/dbraw/zinc/09/51/20/139095120.db2.gz IDUWPSHCVHUNQY-MOPGFXCFSA-N 2 1 345.487 1.388 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000246110245 139095121 /nfs/dbraw/zinc/09/51/21/139095121.db2.gz IDUWPSHCVHUNQY-MOPGFXCFSA-N 2 1 345.487 1.388 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000246110245 139095122 /nfs/dbraw/zinc/09/51/22/139095122.db2.gz IDUWPSHCVHUNQY-MOPGFXCFSA-N 2 1 345.487 1.388 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000246110245 139095123 /nfs/dbraw/zinc/09/51/23/139095123.db2.gz IDUWPSHCVHUNQY-MOPGFXCFSA-N 2 1 345.487 1.388 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000246564603 139113049 /nfs/dbraw/zinc/11/30/49/139113049.db2.gz UNRSRCOGDZKZQM-CIRFHOKZSA-N 2 1 331.460 1.248 20 0 EDADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000246569136 139113218 /nfs/dbraw/zinc/11/32/18/139113218.db2.gz DTMCUBLHLMFPIW-SQNIBIBYSA-N 2 1 337.508 1.678 20 0 EDADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246569136 139113219 /nfs/dbraw/zinc/11/32/19/139113219.db2.gz DTMCUBLHLMFPIW-SQNIBIBYSA-N 2 1 337.508 1.678 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000415305589 304189907 /nfs/dbraw/zinc/18/99/07/304189907.db2.gz WRIIWTSZRGBHEK-QGZVFWFLSA-N 2 1 346.475 1.676 20 0 EDADMP C[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000246627371 139115679 /nfs/dbraw/zinc/11/56/79/139115679.db2.gz AUIWMDXPILWPGO-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000246627371 139115680 /nfs/dbraw/zinc/11/56/80/139115680.db2.gz AUIWMDXPILWPGO-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CC[C@@H](CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000246627371 139115681 /nfs/dbraw/zinc/11/56/81/139115681.db2.gz AUIWMDXPILWPGO-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CC[C@@H](CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000246627371 139115682 /nfs/dbraw/zinc/11/56/82/139115682.db2.gz AUIWMDXPILWPGO-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)[C@@H](C)C1 ZINC000247183467 139139458 /nfs/dbraw/zinc/13/94/58/139139458.db2.gz SDGRQOWKQRGZFE-ZFWWWQNUSA-N 2 1 335.448 1.379 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)[C@@H](C)C1 ZINC000247183467 139139459 /nfs/dbraw/zinc/13/94/59/139139459.db2.gz SDGRQOWKQRGZFE-ZFWWWQNUSA-N 2 1 335.448 1.379 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000247924501 139155658 /nfs/dbraw/zinc/15/56/58/139155658.db2.gz CMFXZCUYQSTGKW-NJAFHUGGSA-N 2 1 330.476 1.184 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000247924501 139155659 /nfs/dbraw/zinc/15/56/59/139155659.db2.gz CMFXZCUYQSTGKW-NJAFHUGGSA-N 2 1 330.476 1.184 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@](C)(O)C1 ZINC000248325018 139160224 /nfs/dbraw/zinc/16/02/24/139160224.db2.gz AZPCIKIIQHFXOC-AYBZRNKSSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@](C)(O)C1 ZINC000248325018 139160225 /nfs/dbraw/zinc/16/02/25/139160225.db2.gz AZPCIKIIQHFXOC-AYBZRNKSSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248456127 139164761 /nfs/dbraw/zinc/16/47/61/139164761.db2.gz RZSGPZDGQZDSPA-YOEHRIQHSA-N 2 1 340.489 1.166 20 0 EDADMP C[C@H](CCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000248623821 139168907 /nfs/dbraw/zinc/16/89/07/139168907.db2.gz NPEFKXHARCWKFL-IKGGRYGDSA-N 2 1 340.512 1.347 20 0 EDADMP O=S(=O)(CC[NH+]1CCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248814424 139176233 /nfs/dbraw/zinc/17/62/33/139176233.db2.gz CTJYGZBEDSHYMW-RDJZCZTQSA-N 2 1 341.521 1.361 20 0 EDADMP CNc1cc(N2CCC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ncn1 ZINC000249042505 139183791 /nfs/dbraw/zinc/18/37/91/139183791.db2.gz VFZHWTJJBKZBCN-UYTSQGDYSA-N 2 1 330.480 1.702 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCO ZINC000249476994 139193949 /nfs/dbraw/zinc/19/39/49/139193949.db2.gz ABPRFCOVEBDBLR-MJGOQNOKSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCO ZINC000249476994 139193950 /nfs/dbraw/zinc/19/39/50/139193950.db2.gz ABPRFCOVEBDBLR-MJGOQNOKSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000249476994 139193951 /nfs/dbraw/zinc/19/39/51/139193951.db2.gz ABPRFCOVEBDBLR-MJGOQNOKSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000249476994 139193952 /nfs/dbraw/zinc/19/39/52/139193952.db2.gz ABPRFCOVEBDBLR-MJGOQNOKSA-N 2 1 345.487 1.424 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3C[C@@H](C)O[C@H](C)C3)C2)[nH+]1 ZINC000249863954 139199435 /nfs/dbraw/zinc/19/94/35/139199435.db2.gz HCDREKWMVOZUJD-ZACQAIPSSA-N 2 1 346.475 1.760 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261627872 139212442 /nfs/dbraw/zinc/21/24/42/139212442.db2.gz BMKPWMQVZNEPFF-DJIMGWMZSA-N 2 1 344.459 1.450 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261627872 139212443 /nfs/dbraw/zinc/21/24/43/139212443.db2.gz BMKPWMQVZNEPFF-DJIMGWMZSA-N 2 1 344.459 1.450 20 0 EDADMP C[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000261608448 139210376 /nfs/dbraw/zinc/21/03/76/139210376.db2.gz AXDGQTNFTQRPPJ-BLLLJJGKSA-N 2 1 337.489 1.365 20 0 EDADMP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261613749 139211024 /nfs/dbraw/zinc/21/10/24/139211024.db2.gz CJYXHNKHYHPCNG-LIRRHRJNSA-N 2 1 347.459 1.176 20 0 EDADMP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261613749 139211025 /nfs/dbraw/zinc/21/10/25/139211025.db2.gz CJYXHNKHYHPCNG-LIRRHRJNSA-N 2 1 347.459 1.176 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000569100993 306496307 /nfs/dbraw/zinc/49/63/07/306496307.db2.gz WJFFFUHRANSZGR-HZPDHXFCSA-N 2 1 330.476 1.454 20 0 EDADMP COCC1(CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000261648913 139214207 /nfs/dbraw/zinc/21/42/07/139214207.db2.gz CYWNPKWUSLTJMX-MRXNPFEDSA-N 2 1 345.487 1.566 20 0 EDADMP COCC1(CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000261648913 139214208 /nfs/dbraw/zinc/21/42/08/139214208.db2.gz CYWNPKWUSLTJMX-MRXNPFEDSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261671618 139216113 /nfs/dbraw/zinc/21/61/13/139216113.db2.gz GGRRAPLUUPGOTJ-APWZRJJASA-N 2 1 330.476 1.394 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261671618 139216114 /nfs/dbraw/zinc/21/61/14/139216114.db2.gz GGRRAPLUUPGOTJ-APWZRJJASA-N 2 1 330.476 1.394 20 0 EDADMP Cc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(-c2ccnn2C)c1 ZINC000261784048 139225660 /nfs/dbraw/zinc/22/56/60/139225660.db2.gz FRSDPRSRQNYIIR-UHFFFAOYSA-N 2 1 341.459 1.259 20 0 EDADMP C[C@]1(C[NH3+])CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000261769492 139224538 /nfs/dbraw/zinc/22/45/38/139224538.db2.gz SAVHSIJQFYUYED-LJQANCHMSA-N 2 1 330.476 1.002 20 0 EDADMP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261827321 139229544 /nfs/dbraw/zinc/22/95/44/139229544.db2.gz PUQRBXLXVSEZIT-SFHVURJKSA-N 2 1 334.439 1.145 20 0 EDADMP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261827321 139229545 /nfs/dbraw/zinc/22/95/45/139229545.db2.gz PUQRBXLXVSEZIT-SFHVURJKSA-N 2 1 334.439 1.145 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000261885949 139234180 /nfs/dbraw/zinc/23/41/80/139234180.db2.gz SKTHRDPFTMLVCV-BBWFWOEESA-N 2 1 325.497 1.629 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)cc2F)CC1 ZINC000261903601 139235471 /nfs/dbraw/zinc/23/54/71/139235471.db2.gz XAILCCOGAGIGMJ-GJZGRUSLSA-N 2 1 348.466 1.777 20 0 EDADMP Cn1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(C(F)(F)F)n1 ZINC000262035025 139245527 /nfs/dbraw/zinc/24/55/27/139245527.db2.gz XWKGENFBOWKZII-JHJVBQTASA-N 2 1 332.370 1.686 20 0 EDADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262098216 139250811 /nfs/dbraw/zinc/25/08/11/139250811.db2.gz IEBIMUCBTVFSRG-YJBOKZPZSA-N 2 1 348.878 1.872 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269247947 296314313 /nfs/dbraw/zinc/31/43/13/296314313.db2.gz VWWLYOHBCUDNTN-FHLIZLRMSA-N 2 1 331.460 1.400 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)CC[C@H]21 ZINC000262188607 139258468 /nfs/dbraw/zinc/25/84/68/139258468.db2.gz JLLIYDSIEQVIEA-UCLAIMLFSA-N 2 1 340.471 1.980 20 0 EDADMP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262193352 139258923 /nfs/dbraw/zinc/25/89/23/139258923.db2.gz ZAYYZBXANZYQHI-AWEZNQCLSA-N 2 1 333.867 1.706 20 0 EDADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262193352 139258924 /nfs/dbraw/zinc/25/89/24/139258924.db2.gz ZAYYZBXANZYQHI-AWEZNQCLSA-N 2 1 333.867 1.706 20 0 EDADMP O=C(CC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000262207253 139259907 /nfs/dbraw/zinc/25/99/07/139259907.db2.gz STDKENHTEKAONQ-INIZCTEOSA-N 2 1 347.434 1.542 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)Nc2ccc(OCC[NH3+])cc2)CC1(C)C ZINC000415951646 251038948 /nfs/dbraw/zinc/03/89/48/251038948.db2.gz ZWVUNUARSANAKZ-UHFFFAOYSA-N 2 1 349.479 1.172 20 0 EDADMP CC[C@H](CNC(=O)N1CCC([NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000417006466 251129137 /nfs/dbraw/zinc/12/91/37/251129137.db2.gz FZKOVDCPBUBODP-GOSISDBHSA-N 2 1 330.476 1.956 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417173312 251144624 /nfs/dbraw/zinc/14/46/24/251144624.db2.gz IQJXJXHKFRMFSM-KRWDZBQOSA-N 2 1 334.464 1.301 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000417220543 251148749 /nfs/dbraw/zinc/14/87/49/251148749.db2.gz LPTMULLKPOOTLQ-KBPBESRZSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000417220543 251148752 /nfs/dbraw/zinc/14/87/52/251148752.db2.gz LPTMULLKPOOTLQ-KBPBESRZSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NCC3([NH3+])CCC3)c2)CCO1 ZINC000417268721 251151619 /nfs/dbraw/zinc/15/16/19/251151619.db2.gz KEAJPZMFCJDOFG-OAHLLOKOSA-N 2 1 346.475 1.588 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NCC3([NH3+])CCC3)c2)CCO1 ZINC000417268721 251151623 /nfs/dbraw/zinc/15/16/23/251151623.db2.gz KEAJPZMFCJDOFG-OAHLLOKOSA-N 2 1 346.475 1.588 20 0 EDADMP C[C@@H](CCC[NH3+])NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000417268532 251151701 /nfs/dbraw/zinc/15/17/01/251151701.db2.gz JWDRSMWUPIMGOS-HOTGVXAUSA-N 2 1 348.491 1.834 20 0 EDADMP C[C@@H](CCC[NH3+])NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000417268532 251151707 /nfs/dbraw/zinc/15/17/07/251151707.db2.gz JWDRSMWUPIMGOS-HOTGVXAUSA-N 2 1 348.491 1.834 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+]C[C@](C)(F)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417306816 251154519 /nfs/dbraw/zinc/15/45/19/251154519.db2.gz AROLKVUMRJFSMU-KXBFYZLASA-N 2 1 348.466 1.776 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+]C[C@](C)(F)C1)[N@H+]1CCc2ccccc2C1 ZINC000417306816 251154521 /nfs/dbraw/zinc/15/45/21/251154521.db2.gz AROLKVUMRJFSMU-KXBFYZLASA-N 2 1 348.466 1.776 20 0 EDADMP CC(C)(C[NH3+])NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417584064 251197382 /nfs/dbraw/zinc/19/73/82/251197382.db2.gz MWJCUDYAWREIDN-UHFFFAOYSA-N 2 1 340.512 1.837 20 0 EDADMP O=C(NCCC[NH2+]Cc1cccnc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000417702365 251233732 /nfs/dbraw/zinc/23/37/32/251233732.db2.gz IRDFUOFKXLGCKC-KRWDZBQOSA-N 2 1 345.491 1.877 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2C[NH3+])[C@H](C)C1 ZINC000417669848 251222599 /nfs/dbraw/zinc/22/25/99/251222599.db2.gz NCSNRHASSMSDET-LTIDMASMSA-N 2 1 340.512 1.550 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000417727123 251244385 /nfs/dbraw/zinc/24/43/85/251244385.db2.gz NMPATIJTBKACBD-LSDHHAIUSA-N 2 1 334.464 1.474 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)NCCC[NH2+]C3CC3)CC2)[nH+]c1 ZINC000417732017 251246620 /nfs/dbraw/zinc/24/66/20/251246620.db2.gz ORAREYDLOMLULR-UHFFFAOYSA-N 2 1 331.464 1.800 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)Cc1ccc(F)cc1 ZINC000417832584 251290772 /nfs/dbraw/zinc/29/07/72/251290772.db2.gz TXBNJYINMYDBRX-DOTOQJQBSA-N 2 1 334.439 1.651 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000417991803 251318550 /nfs/dbraw/zinc/31/85/50/251318550.db2.gz LQCLHCHXZJGTQT-ROUUACIJSA-N 2 1 346.475 1.147 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418111113 251327029 /nfs/dbraw/zinc/32/70/29/251327029.db2.gz XHTCGQKQKWSQPQ-HKUYNNGSSA-N 2 1 348.466 1.852 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418111113 251327032 /nfs/dbraw/zinc/32/70/32/251327032.db2.gz XHTCGQKQKWSQPQ-HKUYNNGSSA-N 2 1 348.466 1.852 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000418435534 251369915 /nfs/dbraw/zinc/36/99/15/251369915.db2.gz HOPRNBDEMYVSCA-AWEZNQCLSA-N 2 1 326.485 1.399 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000418132193 251338923 /nfs/dbraw/zinc/33/89/23/251338923.db2.gz DRHKMRUYFAZKBA-MSOLQXFVSA-N 2 1 330.476 1.948 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)NCCC[NH2+]C)CC2)cn1 ZINC000418305655 251357508 /nfs/dbraw/zinc/35/75/08/251357508.db2.gz IJOKCMIFUPRUSQ-UHFFFAOYSA-N 2 1 336.484 1.120 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)NCCC[NH2+]C)CC2)cn1 ZINC000418305655 251357513 /nfs/dbraw/zinc/35/75/13/251357513.db2.gz IJOKCMIFUPRUSQ-UHFFFAOYSA-N 2 1 336.484 1.120 20 0 EDADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000418319377 251359569 /nfs/dbraw/zinc/35/95/69/251359569.db2.gz AUOBFPWLWPNKER-CRAIPNDOSA-N 2 1 348.491 1.518 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418526733 251375822 /nfs/dbraw/zinc/37/58/22/251375822.db2.gz PYRSBUQXPYDFCI-QZTJIDSGSA-N 2 1 330.476 1.759 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000418678640 251384882 /nfs/dbraw/zinc/38/48/82/251384882.db2.gz WBYATGRUSGUPFL-WNRNVDISSA-N 2 1 328.460 1.510 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C[NH2+]CC3CC3)CC2)oc1C ZINC000262671044 139295127 /nfs/dbraw/zinc/29/51/27/139295127.db2.gz NWLXYSHCKNBWJS-UHFFFAOYSA-N 2 1 334.464 1.619 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000262701675 139297440 /nfs/dbraw/zinc/29/74/40/139297440.db2.gz CKABERUWFMSKLB-BBWFWOEESA-N 2 1 347.507 1.905 20 0 EDADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC(=O)Nc1ccccc1 ZINC000420337296 251680717 /nfs/dbraw/zinc/68/07/17/251680717.db2.gz NAQIAGZRCKGMLS-GASCZTMLSA-N 2 1 330.432 1.656 20 0 EDADMP CC(=O)N1CCN(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422856180 252001151 /nfs/dbraw/zinc/00/11/51/252001151.db2.gz FSIPMWOSMWZMHM-MOPGFXCFSA-N 2 1 330.476 1.233 20 0 EDADMP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000423357745 252052468 /nfs/dbraw/zinc/05/24/68/252052468.db2.gz ANJGQHSDKJHUAP-OAHLLOKOSA-N 2 1 345.491 1.967 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000423356432 252053005 /nfs/dbraw/zinc/05/30/05/252053005.db2.gz GSRFKQQDKTWPBF-ZBFHGGJFSA-N 2 1 342.447 1.192 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NCC[NH2+]C(C)(C)C)c2ccccc2)CC1 ZINC000097594114 219037033 /nfs/dbraw/zinc/03/70/33/219037033.db2.gz XMXCWCHGTAATOH-KRWDZBQOSA-N 2 1 332.492 1.479 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC(C)(C)C2)C1 ZINC000112701948 220378556 /nfs/dbraw/zinc/37/85/56/220378556.db2.gz JBDSJMDUYKGIKW-MRXNPFEDSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC(C)(C)C2)C1 ZINC000112701948 220378557 /nfs/dbraw/zinc/37/85/57/220378557.db2.gz JBDSJMDUYKGIKW-MRXNPFEDSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC(C)(C)C2)C1 ZINC000112701948 220378558 /nfs/dbraw/zinc/37/85/58/220378558.db2.gz JBDSJMDUYKGIKW-MRXNPFEDSA-N 2 1 325.497 1.581 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415703684 304259551 /nfs/dbraw/zinc/25/95/51/304259551.db2.gz REOQPJLSOFZALR-SNVBAGLBSA-N 2 1 326.828 1.064 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)CCCC[NH3+])c2C1 ZINC000415745033 304264032 /nfs/dbraw/zinc/26/40/32/304264032.db2.gz RGHQSPAOPMKXDT-AWEZNQCLSA-N 2 1 346.475 1.984 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)CCCC[NH3+])c2C1 ZINC000415745033 304264033 /nfs/dbraw/zinc/26/40/33/304264033.db2.gz RGHQSPAOPMKXDT-AWEZNQCLSA-N 2 1 346.475 1.984 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)N1CCOCC1 ZINC000487056441 255024423 /nfs/dbraw/zinc/02/44/23/255024423.db2.gz ITBZZZLCTGHIDU-IAGOWNOFSA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000487056441 255024427 /nfs/dbraw/zinc/02/44/27/255024427.db2.gz ITBZZZLCTGHIDU-IAGOWNOFSA-N 2 1 340.512 1.325 20 0 EDADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000487179063 255027814 /nfs/dbraw/zinc/02/78/14/255027814.db2.gz CQDFHWMKDJPVFV-MAUKXSAKSA-N 2 1 330.476 1.965 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)COC ZINC000341164488 285244229 /nfs/dbraw/zinc/24/42/29/285244229.db2.gz NHDCLZASKYFMFK-HZPDHXFCSA-N 2 1 328.501 1.326 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)/C=C\C[NH+](C)C)CC2)oc1C ZINC000491870324 255153738 /nfs/dbraw/zinc/15/37/38/255153738.db2.gz OMFKAEQSLGGLGH-WAYWQWQTSA-N 2 1 334.464 1.737 20 0 EDADMP CO[C@@H]1CC[N@@H+](CCn2ccnc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495108300 255269207 /nfs/dbraw/zinc/26/92/07/255269207.db2.gz YZLLHUAHXACALZ-LSDHHAIUSA-N 2 1 338.452 1.887 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000496126476 255356134 /nfs/dbraw/zinc/35/61/34/255356134.db2.gz UKFATVLMYVZKBJ-CABCVRRESA-N 2 1 329.485 1.488 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000496126476 255356135 /nfs/dbraw/zinc/35/61/35/255356135.db2.gz UKFATVLMYVZKBJ-CABCVRRESA-N 2 1 329.485 1.488 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000496126476 255356136 /nfs/dbraw/zinc/35/61/36/255356136.db2.gz UKFATVLMYVZKBJ-CABCVRRESA-N 2 1 329.485 1.488 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000496126476 255356137 /nfs/dbraw/zinc/35/61/37/255356137.db2.gz UKFATVLMYVZKBJ-CABCVRRESA-N 2 1 329.485 1.488 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[NH+]1C ZINC000341019004 285277723 /nfs/dbraw/zinc/27/77/23/285277723.db2.gz QEOMMEOGRZKPEM-SJORKVTESA-N 3 1 339.528 1.138 20 0 EDADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000341019004 285277725 /nfs/dbraw/zinc/27/77/25/285277725.db2.gz QEOMMEOGRZKPEM-SJORKVTESA-N 3 1 339.528 1.138 20 0 EDADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000341019004 285277726 /nfs/dbraw/zinc/27/77/26/285277726.db2.gz QEOMMEOGRZKPEM-SJORKVTESA-N 3 1 339.528 1.138 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCOC1 ZINC000341134428 285278341 /nfs/dbraw/zinc/27/83/41/285278341.db2.gz UKLOBUHWMNQTCW-WMZOPIPTSA-N 2 1 340.512 1.471 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CCOC ZINC000341054158 285278445 /nfs/dbraw/zinc/27/84/45/285278445.db2.gz NKKJIWKISQBULK-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCn2cncc2C1 ZINC000343340169 285280566 /nfs/dbraw/zinc/28/05/66/285280566.db2.gz MWCXZUBXMKEOHN-IRXDYDNUSA-N 2 1 347.507 1.320 20 0 EDADMP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264193177 139385865 /nfs/dbraw/zinc/38/58/65/139385865.db2.gz CHVPVHMCZISFEN-PKOBYXMFSA-N 2 1 344.503 1.385 20 0 EDADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264193177 139385866 /nfs/dbraw/zinc/38/58/66/139385866.db2.gz CHVPVHMCZISFEN-PKOBYXMFSA-N 2 1 344.503 1.385 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC000272070409 140395959 /nfs/dbraw/zinc/39/59/59/140395959.db2.gz JKIYWQTVIHYZQR-UHFFFAOYSA-N 2 1 346.475 1.688 20 0 EDADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)CC1 ZINC000331625932 141058703 /nfs/dbraw/zinc/05/87/03/141058703.db2.gz YNHYEAVRQKJEGH-MRXNPFEDSA-N 2 1 333.480 1.213 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000332035982 141113744 /nfs/dbraw/zinc/11/37/44/141113744.db2.gz ULOUJDWFSJEPQI-HUUCEWRRSA-N 2 1 326.485 1.256 20 0 EDADMP Cc1cc(CNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000332201445 141139557 /nfs/dbraw/zinc/13/95/57/141139557.db2.gz VVXUBYGPDWLSNY-LSDHHAIUSA-N 2 1 331.464 1.882 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC[N@H+]1C[C@@H](C)O ZINC000332289903 141156855 /nfs/dbraw/zinc/15/68/55/141156855.db2.gz STTXPKYVPLPPAS-QBPKDAKJSA-N 2 1 338.496 1.100 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH+]1C[C@@H](C)O ZINC000332289903 141156857 /nfs/dbraw/zinc/15/68/57/141156857.db2.gz STTXPKYVPLPPAS-QBPKDAKJSA-N 2 1 338.496 1.100 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC[NH+]1C[C@@H](C)O ZINC000332289903 141156858 /nfs/dbraw/zinc/15/68/58/141156858.db2.gz STTXPKYVPLPPAS-QBPKDAKJSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1)[NH+]1CCC(C)CC1 ZINC000332930367 141245364 /nfs/dbraw/zinc/24/53/64/141245364.db2.gz SURYQMFLCJOKII-JKSUJKDBSA-N 2 1 333.480 1.865 20 0 EDADMP Cn1ccnc1[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000332999150 141248677 /nfs/dbraw/zinc/24/86/77/141248677.db2.gz ANXZEXIHOAURGL-GOEBONIOSA-N 2 1 331.464 1.936 20 0 EDADMP Cn1nnc2cc(C[N@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)ccc21 ZINC000333140711 141270632 /nfs/dbraw/zinc/27/06/32/141270632.db2.gz KWLVLPAHQHMKOA-PBHICJAKSA-N 2 1 327.432 1.169 20 0 EDADMP [NH3+][C@H](CC1CCCCC1)C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333227707 141284178 /nfs/dbraw/zinc/28/41/78/141284178.db2.gz BGALUMUOXRUGCZ-DAWZGUTISA-N 2 1 336.524 1.617 20 0 EDADMP Cc1cc(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cn2cc[nH+]c12 ZINC000333317640 141298119 /nfs/dbraw/zinc/29/81/19/141298119.db2.gz MNHWKNATNBRHKJ-HNNXBMFYSA-N 2 1 328.420 1.154 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333387438 141310037 /nfs/dbraw/zinc/31/00/37/141310037.db2.gz OHRUASSEGWOEQU-IBMWRQOZSA-N 2 1 346.519 1.922 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[N@H+]1C1CC1 ZINC000333430188 141316478 /nfs/dbraw/zinc/31/64/78/141316478.db2.gz UKSBAQIBJKYGNA-JFOHDYCDSA-N 2 1 336.480 1.149 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)nc(C)[nH+]1 ZINC000333577347 141339853 /nfs/dbraw/zinc/33/98/53/141339853.db2.gz NDLSNXCQPCDCHB-XJKSGUPXSA-N 2 1 346.479 1.502 20 0 EDADMP C[C@H]1NC(=O)N(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000333650592 141350506 /nfs/dbraw/zinc/35/05/06/141350506.db2.gz USKVVWDVYQFYJL-CYBMUJFWSA-N 2 1 345.447 1.339 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000333736250 141369282 /nfs/dbraw/zinc/36/92/82/141369282.db2.gz WYAZSLGDYHUAAN-CABCVRRESA-N 2 1 335.452 1.171 20 0 EDADMP Cc1nc(C)c(F)c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000339356545 142026226 /nfs/dbraw/zinc/02/62/26/142026226.db2.gz IGYDJZWOSXPYEH-XYPWUTKMSA-N 2 1 333.455 1.980 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000339851169 142177483 /nfs/dbraw/zinc/17/74/83/142177483.db2.gz TXMQMFJKKWDHAE-IAGOWNOFSA-N 2 1 341.544 1.288 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000339851169 142177485 /nfs/dbraw/zinc/17/74/85/142177485.db2.gz TXMQMFJKKWDHAE-IAGOWNOFSA-N 2 1 341.544 1.288 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000339851169 142177487 /nfs/dbraw/zinc/17/74/87/142177487.db2.gz TXMQMFJKKWDHAE-IAGOWNOFSA-N 2 1 341.544 1.288 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCC[N@H+]1C ZINC000345013266 143039337 /nfs/dbraw/zinc/03/93/37/143039337.db2.gz QJSOBUQXFPYMIN-GDBMZVCRSA-N 2 1 331.464 1.046 20 0 EDADMP CC(C)C[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])[NH+]1CCOCC1 ZINC000345717247 143125057 /nfs/dbraw/zinc/12/50/57/143125057.db2.gz NPQKYURNBBHTIL-RYRKJORJSA-N 2 1 325.497 1.757 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NCCC[NH+]2CCC(C)CC2)[N@@H+](C)C1 ZINC000345966763 143152280 /nfs/dbraw/zinc/15/22/80/143152280.db2.gz BWEDFSHXOXDSAN-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCN2CCSCC2)[C@H](C)C1 ZINC000346620966 143222985 /nfs/dbraw/zinc/22/29/85/143222985.db2.gz RVAYAVPRDOIWKM-IAGOWNOFSA-N 2 1 329.554 1.762 20 0 EDADMP COc1c(O)cccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346676773 143230349 /nfs/dbraw/zinc/23/03/49/143230349.db2.gz KJQANIGPQIYNPE-GOEBONIOSA-N 2 1 347.459 1.481 20 0 EDADMP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000347088015 143281076 /nfs/dbraw/zinc/28/10/76/143281076.db2.gz HIGKXTGAQFCADN-IRXDYDNUSA-N 2 1 333.476 1.422 20 0 EDADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000347088015 143281077 /nfs/dbraw/zinc/28/10/77/143281077.db2.gz HIGKXTGAQFCADN-IRXDYDNUSA-N 2 1 333.476 1.422 20 0 EDADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000347088015 143281078 /nfs/dbraw/zinc/28/10/78/143281078.db2.gz HIGKXTGAQFCADN-IRXDYDNUSA-N 2 1 333.476 1.422 20 0 EDADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000347088015 143281079 /nfs/dbraw/zinc/28/10/79/143281079.db2.gz HIGKXTGAQFCADN-IRXDYDNUSA-N 2 1 333.476 1.422 20 0 EDADMP Cn1cnc2cc(C[N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)ccc21 ZINC000347157020 143288937 /nfs/dbraw/zinc/28/89/37/143288937.db2.gz DYFMZFVMZOHHHY-MRXNPFEDSA-N 2 1 341.459 1.217 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(OC)c1 ZINC000347160163 143289327 /nfs/dbraw/zinc/28/93/27/143289327.db2.gz GUCNYJNFAUUHBQ-INIZCTEOSA-N 2 1 347.459 1.348 20 0 EDADMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000347729859 143355500 /nfs/dbraw/zinc/35/55/00/143355500.db2.gz WZUBPIOBRFXLNE-ICSRJNTNSA-N 2 1 347.503 1.860 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000350359940 143538106 /nfs/dbraw/zinc/53/81/06/143538106.db2.gz AJMGMLSKNYEQQX-KRWDZBQOSA-N 2 1 344.459 1.627 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000572956991 306605208 /nfs/dbraw/zinc/60/52/08/306605208.db2.gz VVPUUDPQOBUCED-AWEZNQCLSA-N 2 1 344.459 1.082 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)[C@H](C)C1 ZINC000417674350 286060586 /nfs/dbraw/zinc/06/05/86/286060586.db2.gz ZBWKMNZDZJQAEK-NCOADZHNSA-N 2 1 340.512 1.515 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000352652254 149102103 /nfs/dbraw/zinc/10/21/03/149102103.db2.gz JRFTZRMGFJEGTQ-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000352652254 149102104 /nfs/dbraw/zinc/10/21/04/149102104.db2.gz JRFTZRMGFJEGTQ-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352652254 149102106 /nfs/dbraw/zinc/10/21/06/149102106.db2.gz JRFTZRMGFJEGTQ-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352652254 149102108 /nfs/dbraw/zinc/10/21/08/149102108.db2.gz JRFTZRMGFJEGTQ-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCSCC1)[NH+]1CCC(C)CC1 ZINC000352677462 149113229 /nfs/dbraw/zinc/11/32/29/149113229.db2.gz LMKKGQIUKLYOST-HNNXBMFYSA-N 2 1 328.526 1.455 20 0 EDADMP C[C@@H]1C[C@@H](C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000352724465 149130268 /nfs/dbraw/zinc/13/02/68/149130268.db2.gz QVVWKRGGMRCPHG-AEFFLSMTSA-N 2 1 337.508 1.678 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000352929617 149218766 /nfs/dbraw/zinc/21/87/66/149218766.db2.gz HORDLRPMDCOVRC-IAGOWNOFSA-N 2 1 340.512 1.349 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000352929617 149218767 /nfs/dbraw/zinc/21/87/67/149218767.db2.gz HORDLRPMDCOVRC-IAGOWNOFSA-N 2 1 340.512 1.349 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000416964659 304356503 /nfs/dbraw/zinc/35/65/03/304356503.db2.gz WJCLVYDBQUXKEA-VYDXJSESSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416965268 304356698 /nfs/dbraw/zinc/35/66/98/304356698.db2.gz DIKPQVYUPXKJIY-HRCADAONSA-N 2 1 348.491 1.832 20 0 EDADMP COCC1(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000261565392 292218951 /nfs/dbraw/zinc/21/89/51/292218951.db2.gz YHVGPIBMXZYGHQ-INIZCTEOSA-N 2 1 333.476 1.639 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@H+](C)CC2=CCCOC2)cc[nH+]1 ZINC000354922165 150034611 /nfs/dbraw/zinc/03/46/11/150034611.db2.gz LPOSPZXITOSFAJ-HZPDHXFCSA-N 2 1 349.454 1.738 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)CC2=CCCOC2)cc[nH+]1 ZINC000354922165 150034615 /nfs/dbraw/zinc/03/46/15/150034615.db2.gz LPOSPZXITOSFAJ-HZPDHXFCSA-N 2 1 349.454 1.738 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)CC2=CCCOC2)cc[nH+]1 ZINC000354922160 150034845 /nfs/dbraw/zinc/03/48/45/150034845.db2.gz LPOSPZXITOSFAJ-CVEARBPZSA-N 2 1 349.454 1.738 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)CC2=CCCOC2)cc[nH+]1 ZINC000354922160 150034846 /nfs/dbraw/zinc/03/48/46/150034846.db2.gz LPOSPZXITOSFAJ-CVEARBPZSA-N 2 1 349.454 1.738 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354928903 150037152 /nfs/dbraw/zinc/03/71/52/150037152.db2.gz GOVLZFBBBRTLQN-MOPGFXCFSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354928903 150037154 /nfs/dbraw/zinc/03/71/54/150037154.db2.gz GOVLZFBBBRTLQN-MOPGFXCFSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000354928903 150037156 /nfs/dbraw/zinc/03/71/56/150037156.db2.gz GOVLZFBBBRTLQN-MOPGFXCFSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000354928903 150037157 /nfs/dbraw/zinc/03/71/57/150037157.db2.gz GOVLZFBBBRTLQN-MOPGFXCFSA-N 2 1 345.487 1.829 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[NH2+]CC[C@@H]2CCOC2)cc[nH+]1 ZINC000354934903 150040821 /nfs/dbraw/zinc/04/08/21/150040821.db2.gz NQTLKWYTAREZEV-KFWWJZLASA-N 2 1 337.443 1.476 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[NH2+]CC[C@H]2CCOC2)cc[nH+]1 ZINC000354934906 150040894 /nfs/dbraw/zinc/04/08/94/150040894.db2.gz NQTLKWYTAREZEV-ZNMIVQPWSA-N 2 1 337.443 1.476 20 0 EDADMP CC[C@H](C(=O)NCC1CC[NH+](CCO)CC1)[N@@H+](C)Cc1ccccc1 ZINC000355206735 150165006 /nfs/dbraw/zinc/16/50/06/150165006.db2.gz QBDIPMJZWLPOLA-LJQANCHMSA-N 2 1 347.503 1.718 20 0 EDADMP CCOC(=O)CC(C)(C)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000355357845 150231965 /nfs/dbraw/zinc/23/19/65/150231965.db2.gz VUSSRRNLLUJBHX-UHFFFAOYSA-N 2 1 349.479 1.392 20 0 EDADMP CCOC(=O)CC(C)(C)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000355357845 150231969 /nfs/dbraw/zinc/23/19/69/150231969.db2.gz VUSSRRNLLUJBHX-UHFFFAOYSA-N 2 1 349.479 1.392 20 0 EDADMP CC[C@@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1C[C@H](C)O ZINC000355625995 150341891 /nfs/dbraw/zinc/34/18/91/150341891.db2.gz WJAUTTCDZGEXLD-BBWFWOEESA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000357721476 151125225 /nfs/dbraw/zinc/12/52/25/151125225.db2.gz LJSHDCPKCUBIMF-CQSZACIVSA-N 2 1 337.439 1.931 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000357721476 151125226 /nfs/dbraw/zinc/12/52/26/151125226.db2.gz LJSHDCPKCUBIMF-CQSZACIVSA-N 2 1 337.439 1.931 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000357784585 151150933 /nfs/dbraw/zinc/15/09/33/151150933.db2.gz VOJRWOANTSGULT-HNNXBMFYSA-N 2 1 342.553 1.987 20 0 EDADMP C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000357972198 151216454 /nfs/dbraw/zinc/21/64/54/151216454.db2.gz IZCMQUYXYGMTPK-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000358103564 151271167 /nfs/dbraw/zinc/27/11/67/151271167.db2.gz UFFLDOWIJIVQIP-NVXWUHKLSA-N 2 1 338.496 1.389 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC[NH+]1CCOC ZINC000358103564 151271171 /nfs/dbraw/zinc/27/11/71/151271171.db2.gz UFFLDOWIJIVQIP-NVXWUHKLSA-N 2 1 338.496 1.389 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC[NH+]1CCOC ZINC000358103564 151271175 /nfs/dbraw/zinc/27/11/75/151271175.db2.gz UFFLDOWIJIVQIP-NVXWUHKLSA-N 2 1 338.496 1.389 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000358312810 151333865 /nfs/dbraw/zinc/33/38/65/151333865.db2.gz MWQPWQJYHJLONW-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000358312810 151333867 /nfs/dbraw/zinc/33/38/67/151333867.db2.gz MWQPWQJYHJLONW-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH2+]CCCNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000417120415 304374746 /nfs/dbraw/zinc/37/47/46/304374746.db2.gz ZMJNEUJQEKZLHS-HOTGVXAUSA-N 2 1 348.491 1.705 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCCc3ccncc3)CC2)C1 ZINC000360446583 152047673 /nfs/dbraw/zinc/04/76/73/152047673.db2.gz LNZBHVDHZWOLGD-FQEVSTJZSA-N 2 1 346.519 1.741 20 0 EDADMP FC(F)(F)CC[NH+]1CCC(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000360643470 152136775 /nfs/dbraw/zinc/13/67/75/152136775.db2.gz SZBLYVUJOODFAK-GJZGRUSLSA-N 2 1 335.414 1.856 20 0 EDADMP FC(F)(F)CC[NH+]1CCC(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000360643470 152136777 /nfs/dbraw/zinc/13/67/77/152136777.db2.gz SZBLYVUJOODFAK-GJZGRUSLSA-N 2 1 335.414 1.856 20 0 EDADMP CC(C)[NH+](CCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(C)C ZINC000360849517 152228997 /nfs/dbraw/zinc/22/89/97/152228997.db2.gz MMIDIRPNGMLXOY-IRXDYDNUSA-N 2 1 340.512 1.658 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000360979248 152269237 /nfs/dbraw/zinc/26/92/37/152269237.db2.gz RNGHDVZHYIKJKL-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000360979248 152269239 /nfs/dbraw/zinc/26/92/39/152269239.db2.gz RNGHDVZHYIKJKL-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000370139889 155343704 /nfs/dbraw/zinc/34/37/04/155343704.db2.gz HROCWAWEJQTARN-OWLYRPNTSA-N 2 1 331.460 1.126 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000361214638 152337177 /nfs/dbraw/zinc/33/71/77/152337177.db2.gz FTGXSXMNJLVOPG-FHWLQOOXSA-N 3 1 340.556 1.349 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000361345864 152367952 /nfs/dbraw/zinc/36/79/52/152367952.db2.gz LIONPUNAIBYNLJ-HNNXBMFYSA-N 2 1 325.497 1.865 20 0 EDADMP COCC[C@@]1(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]C1 ZINC000370201272 155374579 /nfs/dbraw/zinc/37/45/79/155374579.db2.gz IVHDVZVSJUEZFD-JZXOWHBKSA-N 2 1 341.496 1.008 20 0 EDADMP CN(C(=O)c1ccc2nc[nH]c2n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363793793 153057586 /nfs/dbraw/zinc/05/75/86/153057586.db2.gz JMSIXCILGXIZFW-CQSZACIVSA-N 2 1 342.447 1.198 20 0 EDADMP CN(C(=O)c1ccc2nc[nH]c2n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363793793 153057590 /nfs/dbraw/zinc/05/75/90/153057590.db2.gz JMSIXCILGXIZFW-CQSZACIVSA-N 2 1 342.447 1.198 20 0 EDADMP CN(C(=O)c1ccc2nc[nH]c2n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363793792 153057775 /nfs/dbraw/zinc/05/77/75/153057775.db2.gz JMSIXCILGXIZFW-AWEZNQCLSA-N 2 1 342.447 1.198 20 0 EDADMP CN(C(=O)c1ccc2nc[nH]c2n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363793792 153057777 /nfs/dbraw/zinc/05/77/77/153057777.db2.gz JMSIXCILGXIZFW-AWEZNQCLSA-N 2 1 342.447 1.198 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2CC[N@@H+](C)[C@H]2C1)c1ccccc1 ZINC000363819954 153065827 /nfs/dbraw/zinc/06/58/27/153065827.db2.gz KFPZBSHSWMIZFC-QRVBRYPASA-N 2 1 344.503 1.432 20 0 EDADMP C[C@]1(c2cccs2)C[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000364056198 153134340 /nfs/dbraw/zinc/13/43/40/153134340.db2.gz KWCPQOMUJAUOQC-PBHICJAKSA-N 2 1 336.505 1.862 20 0 EDADMP C[C@]1(c2cccs2)C[C@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000364056204 153134775 /nfs/dbraw/zinc/13/47/75/153134775.db2.gz KWCPQOMUJAUOQC-YOEHRIQHSA-N 2 1 336.505 1.862 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)/C=C/C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000364250335 153186288 /nfs/dbraw/zinc/18/62/88/153186288.db2.gz SXKYKWXKOZROCS-WZDWLKHJSA-N 2 1 337.508 1.842 20 0 EDADMP CCCC[N@@H+](CCOC)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000364357636 153215362 /nfs/dbraw/zinc/21/53/62/153215362.db2.gz JIBWXOCPTJDQJH-QGZVFWFLSA-N 2 1 343.512 1.208 20 0 EDADMP CCCC[NH+](CCOC)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000364357636 153215366 /nfs/dbraw/zinc/21/53/66/153215366.db2.gz JIBWXOCPTJDQJH-QGZVFWFLSA-N 2 1 343.512 1.208 20 0 EDADMP CSCCCCCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364380485 153221016 /nfs/dbraw/zinc/22/10/16/153221016.db2.gz OLSBQTAZZPKPQS-OAHLLOKOSA-N 2 1 342.553 1.987 20 0 EDADMP Cc1cccc(NC2CCN(C(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)[nH+]1 ZINC000364726922 153315025 /nfs/dbraw/zinc/31/50/25/153315025.db2.gz ZTDDZVZNCCBSCW-UHFFFAOYSA-N 2 1 340.431 1.476 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365548775 153550698 /nfs/dbraw/zinc/55/06/98/153550698.db2.gz DIQGSGMKGWCXLD-OAHLLOKOSA-N 2 1 344.463 1.114 20 0 EDADMP C[NH2+]CCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366322158 153781659 /nfs/dbraw/zinc/78/16/59/153781659.db2.gz JAXPPIGZVBAAPK-UHFFFAOYSA-N 3 1 338.540 1.641 20 0 EDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000367085987 154004109 /nfs/dbraw/zinc/00/41/09/154004109.db2.gz ITOJYHBNMTVARL-HNNXBMFYSA-N 2 1 329.510 1.361 20 0 EDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000367085987 154004111 /nfs/dbraw/zinc/00/41/11/154004111.db2.gz ITOJYHBNMTVARL-HNNXBMFYSA-N 2 1 329.510 1.361 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000367134217 154018582 /nfs/dbraw/zinc/01/85/82/154018582.db2.gz VLBZFMLRPVFMPP-OAHLLOKOSA-N 2 1 328.482 1.328 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000367134217 154018584 /nfs/dbraw/zinc/01/85/84/154018584.db2.gz VLBZFMLRPVFMPP-OAHLLOKOSA-N 2 1 328.482 1.328 20 0 EDADMP COC(=O)Cn1cc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)nn1 ZINC000367139146 154019796 /nfs/dbraw/zinc/01/97/96/154019796.db2.gz JHCQIZRGYGIWAQ-INIZCTEOSA-N 2 1 349.479 1.192 20 0 EDADMP COC(=O)Cn1cc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)nn1 ZINC000367139146 154019797 /nfs/dbraw/zinc/01/97/97/154019797.db2.gz JHCQIZRGYGIWAQ-INIZCTEOSA-N 2 1 349.479 1.192 20 0 EDADMP [NH3+][C@H](C(=O)N1CCC[N@H+](Cc2ccccc2F)CC1)C1CCOCC1 ZINC000367184416 154033154 /nfs/dbraw/zinc/03/31/54/154033154.db2.gz GDTWWXLLACAQGL-SFHVURJKSA-N 2 1 349.450 1.614 20 0 EDADMP [NH3+][C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1)C1CCOCC1 ZINC000367184416 154033156 /nfs/dbraw/zinc/03/31/56/154033156.db2.gz GDTWWXLLACAQGL-SFHVURJKSA-N 2 1 349.450 1.614 20 0 EDADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000367373888 154093584 /nfs/dbraw/zinc/09/35/84/154093584.db2.gz DGBRMQFRGXGFJC-BZSNNMDCSA-N 2 1 349.450 1.436 20 0 EDADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000367373888 154093586 /nfs/dbraw/zinc/09/35/86/154093586.db2.gz DGBRMQFRGXGFJC-BZSNNMDCSA-N 2 1 349.450 1.436 20 0 EDADMP COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H]2CCn3c(C)ncc3C2)C[C@@H]1C ZINC000367956321 154342732 /nfs/dbraw/zinc/34/27/32/154342732.db2.gz MQAGPUVXZYTFEC-IJEWVQPXSA-N 2 1 334.464 1.322 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H]2CCn3c(C)ncc3C2)C[C@@H]1C ZINC000367956321 154342735 /nfs/dbraw/zinc/34/27/35/154342735.db2.gz MQAGPUVXZYTFEC-IJEWVQPXSA-N 2 1 334.464 1.322 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C[C@](C)(F)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417306807 304392286 /nfs/dbraw/zinc/39/22/86/304392286.db2.gz AROLKVUMRJFSMU-BEFAXECRSA-N 2 1 348.466 1.776 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C[C@](C)(F)C1)[N@H+]1CCc2ccccc2C1 ZINC000417306807 304392288 /nfs/dbraw/zinc/39/22/88/304392288.db2.gz AROLKVUMRJFSMU-BEFAXECRSA-N 2 1 348.466 1.776 20 0 EDADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)CN1CCOCC1 ZINC000372045924 156223961 /nfs/dbraw/zinc/22/39/61/156223961.db2.gz ICQRMNLYLIBUQH-AKHDSKFASA-N 2 1 339.524 1.434 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cn1 ZINC000372407434 156375552 /nfs/dbraw/zinc/37/55/52/156375552.db2.gz UNFUZUAPSXXLJW-GOSISDBHSA-N 2 1 345.491 1.279 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cn1 ZINC000372407434 156375557 /nfs/dbraw/zinc/37/55/57/156375557.db2.gz UNFUZUAPSXXLJW-GOSISDBHSA-N 2 1 345.491 1.279 20 0 EDADMP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000372438556 156389414 /nfs/dbraw/zinc/38/94/14/156389414.db2.gz QIVWNDVUZCQKFK-GBESFXJTSA-N 2 1 343.471 1.630 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)c1 ZINC000377980901 158046337 /nfs/dbraw/zinc/04/63/37/158046337.db2.gz BMAHJINNPDEMQO-HNNXBMFYSA-N 2 1 327.432 1.828 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)CCCCCC[NH3+] ZINC000378204039 158107914 /nfs/dbraw/zinc/10/79/14/158107914.db2.gz KNDWCKAREVVARA-IXDOHACOSA-N 2 1 325.497 1.901 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000378247907 158120376 /nfs/dbraw/zinc/12/03/76/158120376.db2.gz YWKHFMYRFZSKRH-ZACQAIPSSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000378247907 158120378 /nfs/dbraw/zinc/12/03/78/158120378.db2.gz YWKHFMYRFZSKRH-ZACQAIPSSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000378247907 158120379 /nfs/dbraw/zinc/12/03/79/158120379.db2.gz YWKHFMYRFZSKRH-ZACQAIPSSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000378318938 158139306 /nfs/dbraw/zinc/13/93/06/158139306.db2.gz RKTARBUHOUAYRU-GOSISDBHSA-N 2 1 336.524 1.251 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@@H](O)c3ccccc3F)C2)CC1 ZINC000378431724 158171587 /nfs/dbraw/zinc/17/15/87/158171587.db2.gz FPPKFFXASNZKIQ-VQIMIIECSA-N 2 1 335.467 1.819 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000352341323 162128678 /nfs/dbraw/zinc/12/86/78/162128678.db2.gz WZVZDILEHQUJHL-ZACQAIPSSA-N 2 1 340.512 1.203 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000352449136 162187570 /nfs/dbraw/zinc/18/75/70/162187570.db2.gz XIZDDHOWPWSICT-WMZOPIPTSA-N 2 1 335.492 1.620 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000352449136 162187576 /nfs/dbraw/zinc/18/75/76/162187576.db2.gz XIZDDHOWPWSICT-WMZOPIPTSA-N 2 1 335.492 1.620 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000352512755 162222288 /nfs/dbraw/zinc/22/22/88/162222288.db2.gz ZZOYNRDMVVPTFM-KRWDZBQOSA-N 2 1 348.466 1.678 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000352512755 162222291 /nfs/dbraw/zinc/22/22/91/162222291.db2.gz ZZOYNRDMVVPTFM-KRWDZBQOSA-N 2 1 348.466 1.678 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000345429341 298718659 /nfs/dbraw/zinc/71/86/59/298718659.db2.gz HAHVDDFOYJMKAB-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000423863929 287165036 /nfs/dbraw/zinc/16/50/36/287165036.db2.gz AUIQIHWIXYRFPT-KBAYOESNSA-N 2 1 331.460 1.298 20 0 EDADMP CC(C)OC(=O)CC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000075677753 287278457 /nfs/dbraw/zinc/27/84/57/287278457.db2.gz CNHGRLUBTFKMCW-IRXDYDNUSA-N 2 1 325.497 1.819 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000337365161 287351872 /nfs/dbraw/zinc/35/18/72/287351872.db2.gz KRMIKKVKHWKWSK-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000168506264 226217811 /nfs/dbraw/zinc/21/78/11/226217811.db2.gz UWHNOGHFCVAFOQ-SZMVWBNQSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000168506264 226217813 /nfs/dbraw/zinc/21/78/13/226217813.db2.gz UWHNOGHFCVAFOQ-SZMVWBNQSA-N 2 1 331.460 1.486 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654423060 452476969 /nfs/dbraw/zinc/47/69/69/452476969.db2.gz ZRJZTRDPHTVDMF-YHUYYLMFSA-N 2 1 328.501 1.514 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654423060 452476982 /nfs/dbraw/zinc/47/69/82/452476982.db2.gz ZRJZTRDPHTVDMF-YHUYYLMFSA-N 2 1 328.501 1.514 20 0 EDADMP CC1(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000193363638 272991611 /nfs/dbraw/zinc/99/16/11/272991611.db2.gz JBXFCWNNLZCOFO-UHFFFAOYSA-N 2 1 330.476 1.063 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)[C@@H]1CC[NH3+] ZINC000652355168 452532016 /nfs/dbraw/zinc/53/20/16/452532016.db2.gz QMVSHKUWULAWOI-GDBMZVCRSA-N 2 1 325.478 1.414 20 0 EDADMP C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)[C@@H]1CC[NH3+] ZINC000652355168 452532006 /nfs/dbraw/zinc/53/20/06/452532006.db2.gz QMVSHKUWULAWOI-GDBMZVCRSA-N 2 1 325.478 1.414 20 0 EDADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000274309066 268122341 /nfs/dbraw/zinc/12/23/41/268122341.db2.gz UWWGPHLYJIHTAU-IEBWSBKVSA-N 2 1 329.444 1.099 20 0 EDADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000274309066 268122343 /nfs/dbraw/zinc/12/23/43/268122343.db2.gz UWWGPHLYJIHTAU-IEBWSBKVSA-N 2 1 329.444 1.099 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000274489619 268149395 /nfs/dbraw/zinc/14/93/95/268149395.db2.gz DZEASLNBHQKCCT-UHFFFAOYSA-N 2 1 348.491 1.863 20 0 EDADMP O=C(NCCC[NH+]1CCCC1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000273069305 273027561 /nfs/dbraw/zinc/02/75/61/273027561.db2.gz DJLGTFRIOKMZEN-LJQANCHMSA-N 2 1 345.487 1.787 20 0 EDADMP C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274865513 268226604 /nfs/dbraw/zinc/22/66/04/268226604.db2.gz DSWJTIIUNIWYCU-FUHWJXTLSA-N 2 1 345.487 1.769 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000278981071 268761407 /nfs/dbraw/zinc/76/14/07/268761407.db2.gz OWCLELMYUKLUKL-UONOGXRCSA-N 2 1 348.472 1.704 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@H](O)C[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000279496749 273302548 /nfs/dbraw/zinc/30/25/48/273302548.db2.gz PWOBXTXFEXJOIX-IEZWGBDMSA-N 2 1 345.487 1.252 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000279496749 273302550 /nfs/dbraw/zinc/30/25/50/273302550.db2.gz PWOBXTXFEXJOIX-IEZWGBDMSA-N 2 1 345.487 1.252 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000279496749 273302551 /nfs/dbraw/zinc/30/25/51/273302551.db2.gz PWOBXTXFEXJOIX-IEZWGBDMSA-N 2 1 345.487 1.252 20 0 EDADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000347219625 274226882 /nfs/dbraw/zinc/22/68/82/274226882.db2.gz INLVLCMDJRDVNY-HKUYNNGSSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000347219625 274226883 /nfs/dbraw/zinc/22/68/83/274226883.db2.gz INLVLCMDJRDVNY-HKUYNNGSSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000347219625 274226884 /nfs/dbraw/zinc/22/68/84/274226884.db2.gz INLVLCMDJRDVNY-HKUYNNGSSA-N 2 1 345.487 1.566 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000362564189 275011275 /nfs/dbraw/zinc/01/12/75/275011275.db2.gz IKOZXONMHMUQOK-CQSZACIVSA-N 2 1 331.464 1.577 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000339500268 276177322 /nfs/dbraw/zinc/17/73/22/276177322.db2.gz OMURIBNSMZSSDN-ROUUACIJSA-N 2 1 332.492 1.943 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000344243753 276193830 /nfs/dbraw/zinc/19/38/30/276193830.db2.gz GURFYCUISUEOLP-IEBWSBKVSA-N 2 1 344.503 1.576 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248780953 276339063 /nfs/dbraw/zinc/33/90/63/276339063.db2.gz WVCWSPDHHVYPEN-PMPSAXMXSA-N 2 1 342.528 1.904 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000363672127 276360701 /nfs/dbraw/zinc/36/07/01/276360701.db2.gz MPXWYZFQVHJSGJ-ZWKOTPCHSA-N 2 1 336.524 1.347 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000237191881 277025374 /nfs/dbraw/zinc/02/53/74/277025374.db2.gz VLPGRXUMEUVHDM-QGZVFWFLSA-N 2 1 332.492 1.166 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000351904515 277079584 /nfs/dbraw/zinc/07/95/84/277079584.db2.gz CBMZJIGPZSYDHB-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000351904515 277079586 /nfs/dbraw/zinc/07/95/86/277079586.db2.gz CBMZJIGPZSYDHB-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000351904515 277079587 /nfs/dbraw/zinc/07/95/87/277079587.db2.gz CBMZJIGPZSYDHB-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000351904515 277079588 /nfs/dbraw/zinc/07/95/88/277079588.db2.gz CBMZJIGPZSYDHB-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000249282612 277111566 /nfs/dbraw/zinc/11/15/66/277111566.db2.gz NCQYEDJLJOYAJY-SQNIBIBYSA-N 2 1 337.508 1.676 20 0 EDADMP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423515389 277116232 /nfs/dbraw/zinc/11/62/32/277116232.db2.gz NDFHCNZSAHWGHC-NCYKPQTJSA-N 2 1 342.531 1.923 20 0 EDADMP CSCC[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348188888 278129733 /nfs/dbraw/zinc/12/97/33/278129733.db2.gz YWZSCFBJKCFXRE-STQMWFEESA-N 2 1 327.473 1.754 20 0 EDADMP CSCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348188888 278129734 /nfs/dbraw/zinc/12/97/34/278129734.db2.gz YWZSCFBJKCFXRE-STQMWFEESA-N 2 1 327.473 1.754 20 0 EDADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000332548201 278189805 /nfs/dbraw/zinc/18/98/05/278189805.db2.gz DMPRBXVNCHUONZ-ZIAGYGMSSA-N 2 1 336.484 1.406 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000332548201 278189806 /nfs/dbraw/zinc/18/98/06/278189806.db2.gz DMPRBXVNCHUONZ-ZIAGYGMSSA-N 2 1 336.484 1.406 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000345588504 288107267 /nfs/dbraw/zinc/10/72/67/288107267.db2.gz VNCSDUWFBFZNET-ULQDDVLXSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000492261217 279372030 /nfs/dbraw/zinc/37/20/30/279372030.db2.gz VJFARXOUKKYCSN-CVEARBPZSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000368439404 288162607 /nfs/dbraw/zinc/16/26/07/288162607.db2.gz UKHWNWIDXSKQSF-SJORKVTESA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000365146724 288201684 /nfs/dbraw/zinc/20/16/84/288201684.db2.gz OHXJKQSQLJXKBU-BFYDXBDKSA-N 2 1 338.496 1.364 20 0 EDADMP Cc1c[nH+]ccc1NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000377969652 280281246 /nfs/dbraw/zinc/28/12/46/280281246.db2.gz KLVNVUXGOMFRRL-KBPBESRZSA-N 2 1 330.411 1.697 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000287557914 288264955 /nfs/dbraw/zinc/26/49/55/288264955.db2.gz MHSPKSFDURCNMK-KRWDZBQOSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+](Cc1ccccc1)C1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000287557914 288264957 /nfs/dbraw/zinc/26/49/57/288264957.db2.gz MHSPKSFDURCNMK-KRWDZBQOSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+](Cc1ccccc1)C1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000287557914 288264959 /nfs/dbraw/zinc/26/49/59/288264959.db2.gz MHSPKSFDURCNMK-KRWDZBQOSA-N 2 1 342.487 1.997 20 0 EDADMP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000418133040 288317370 /nfs/dbraw/zinc/31/73/70/288317370.db2.gz FNMOPFIMSFTSJY-QAPCUYQASA-N 2 1 330.476 1.900 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000291598253 289119457 /nfs/dbraw/zinc/11/94/57/289119457.db2.gz GVUGTIACXOAWDS-ICSRJNTNSA-N 2 1 342.487 1.998 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000291598253 289119460 /nfs/dbraw/zinc/11/94/60/289119460.db2.gz GVUGTIACXOAWDS-ICSRJNTNSA-N 2 1 342.487 1.998 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000291598253 289119463 /nfs/dbraw/zinc/11/94/63/289119463.db2.gz GVUGTIACXOAWDS-ICSRJNTNSA-N 2 1 342.487 1.998 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000291872540 289202570 /nfs/dbraw/zinc/20/25/70/289202570.db2.gz IMSPHGANCSOMEV-ICSRJNTNSA-N 2 1 344.503 1.897 20 0 EDADMP CC(C)[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000291998927 289235860 /nfs/dbraw/zinc/23/58/60/289235860.db2.gz XGOJTYIRHOQQDP-MSOLQXFVSA-N 2 1 333.476 1.905 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000364158443 290055935 /nfs/dbraw/zinc/05/59/35/290055935.db2.gz CQYOQDGOFMWMMX-MSOLQXFVSA-N 2 1 330.476 1.233 20 0 EDADMP C[N@H+](CCSc1cccc(Cl)c1)CC(=O)N1CC[NH2+]CC1 ZINC000662242709 452969975 /nfs/dbraw/zinc/96/99/75/452969975.db2.gz GWLVQMJCNVCREM-UHFFFAOYSA-N 2 1 327.881 1.796 20 0 EDADMP C[N@@H+](CCSc1cccc(Cl)c1)CC(=O)N1CC[NH2+]CC1 ZINC000662242709 452969986 /nfs/dbraw/zinc/96/99/86/452969986.db2.gz GWLVQMJCNVCREM-UHFFFAOYSA-N 2 1 327.881 1.796 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000351502290 295119804 /nfs/dbraw/zinc/11/98/04/295119804.db2.gz ZRXNBFADCIYVKF-ARFHVFGLSA-N 2 1 347.459 1.032 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000351502290 295119808 /nfs/dbraw/zinc/11/98/08/295119808.db2.gz ZRXNBFADCIYVKF-ARFHVFGLSA-N 2 1 347.459 1.032 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000356731042 300243027 /nfs/dbraw/zinc/24/30/27/300243027.db2.gz SVMJSWKOCDUDEO-JKSUJKDBSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000356731042 300243028 /nfs/dbraw/zinc/24/30/28/300243028.db2.gz SVMJSWKOCDUDEO-JKSUJKDBSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000356731042 300243029 /nfs/dbraw/zinc/24/30/29/300243029.db2.gz SVMJSWKOCDUDEO-JKSUJKDBSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000295210755 303189093 /nfs/dbraw/zinc/18/90/93/303189093.db2.gz PYPOADUFWXQZCI-UKRRQHHQSA-N 2 1 344.459 1.463 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000443057173 303390090 /nfs/dbraw/zinc/39/00/90/303390090.db2.gz FUABROYVTSBALF-MRXNPFEDSA-N 2 1 325.497 1.903 20 0 EDADMP O=C(C[C@@H]1CCC[NH2+]CC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000427286070 304987976 /nfs/dbraw/zinc/98/79/76/304987976.db2.gz CERVRDPYONULSP-QGZVFWFLSA-N 2 1 345.487 1.915 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000430617580 305059277 /nfs/dbraw/zinc/05/92/77/305059277.db2.gz NOKVSEPREAFIIW-HOCLYGCPSA-N 2 1 332.448 1.604 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000430617580 305059278 /nfs/dbraw/zinc/05/92/78/305059278.db2.gz NOKVSEPREAFIIW-HOCLYGCPSA-N 2 1 332.448 1.604 20 0 EDADMP C[N@@H+](CCCOc1cccc2ccccc21)CC(=O)N1CC[NH2+]CC1 ZINC000430622538 305059515 /nfs/dbraw/zinc/05/95/15/305059515.db2.gz GKMUIYZXBKKTDU-UHFFFAOYSA-N 2 1 341.455 1.972 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000430632367 305060392 /nfs/dbraw/zinc/06/03/92/305060392.db2.gz XDLQOQMXIDEFNZ-YQQAZPJKSA-N 2 1 346.475 1.039 20 0 EDADMP C[NH2+][C@@H]1CCN(CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000430655123 305061687 /nfs/dbraw/zinc/06/16/87/305061687.db2.gz RDDLFXXQRALKAJ-LJQANCHMSA-N 2 1 344.503 1.323 20 0 EDADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(N3CCCCC3)nc2)CC1 ZINC000430960876 305070978 /nfs/dbraw/zinc/07/09/78/305070978.db2.gz AIUGOXFLUDQWRY-UHFFFAOYSA-N 2 1 345.491 1.942 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000431741677 305082414 /nfs/dbraw/zinc/08/24/14/305082414.db2.gz CQINGSLCRSPIEL-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC2([NH+](C)C)CCCC2)CCCO1 ZINC000433290074 305105213 /nfs/dbraw/zinc/10/52/13/305105213.db2.gz RNKYMSPUBDQYFI-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433328575 305105840 /nfs/dbraw/zinc/10/58/40/305105840.db2.gz AMVLZWYMXZTNHB-IAGOWNOFSA-N 2 1 340.512 1.661 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433328575 305105841 /nfs/dbraw/zinc/10/58/41/305105841.db2.gz AMVLZWYMXZTNHB-IAGOWNOFSA-N 2 1 340.512 1.661 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433328575 305105842 /nfs/dbraw/zinc/10/58/42/305105842.db2.gz AMVLZWYMXZTNHB-IAGOWNOFSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1[NH+](C)C ZINC000433457013 305109677 /nfs/dbraw/zinc/10/96/77/305109677.db2.gz OBTXMONPLAIKHA-XHSDSOJGSA-N 2 1 326.485 1.079 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCCc2ccccc2OC)[C@@H](C)C1 ZINC000436300828 305155590 /nfs/dbraw/zinc/15/55/90/305155590.db2.gz LAGMAYXHYUPSMZ-RDJZCZTQSA-N 2 1 333.476 1.674 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CC(=O)NCCc2ccccc2OC)[C@@H](C)C1 ZINC000436300828 305155591 /nfs/dbraw/zinc/15/55/91/305155591.db2.gz LAGMAYXHYUPSMZ-RDJZCZTQSA-N 2 1 333.476 1.674 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+]1C ZINC000442260410 305227351 /nfs/dbraw/zinc/22/73/51/305227351.db2.gz DFRRVLAEYWEKGW-CABCVRRESA-N 2 1 346.475 1.280 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@@H+]1C ZINC000442260410 305227352 /nfs/dbraw/zinc/22/73/52/305227352.db2.gz DFRRVLAEYWEKGW-CABCVRRESA-N 2 1 346.475 1.280 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000442303355 305228410 /nfs/dbraw/zinc/22/84/10/305228410.db2.gz WZOZXACOXZEMDI-KGLIPLIRSA-N 2 1 332.448 1.238 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000442303355 305228411 /nfs/dbraw/zinc/22/84/11/305228411.db2.gz WZOZXACOXZEMDI-KGLIPLIRSA-N 2 1 332.448 1.238 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442923164 305231246 /nfs/dbraw/zinc/23/12/46/305231246.db2.gz PZTDAOIDMGEBPV-OAHLLOKOSA-N 2 1 349.475 1.771 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442923163 305231272 /nfs/dbraw/zinc/23/12/72/305231272.db2.gz PZTDAOIDMGEBPV-HNNXBMFYSA-N 2 1 349.475 1.771 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CCC([NH+](C)C[C@@H](C)O)CC1)c1ccccc1 ZINC000444375910 305247439 /nfs/dbraw/zinc/24/74/39/305247439.db2.gz QWWZBMSSNNNSJX-APWZRJJASA-N 2 1 347.503 1.983 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1)c1ccccc1 ZINC000444375910 305247440 /nfs/dbraw/zinc/24/74/40/305247440.db2.gz QWWZBMSSNNNSJX-APWZRJJASA-N 2 1 347.503 1.983 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000446612781 305267986 /nfs/dbraw/zinc/26/79/86/305267986.db2.gz DGURAUUCVDPKFL-UHFFFAOYSA-N 2 1 330.476 1.998 20 0 EDADMP CCC1(CC)CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000446712418 305269708 /nfs/dbraw/zinc/26/97/08/305269708.db2.gz RGVYAWPYWJRMPH-QGZVFWFLSA-N 2 1 339.524 1.972 20 0 EDADMP CCC1(CC)CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000446712418 305269709 /nfs/dbraw/zinc/26/97/09/305269709.db2.gz RGVYAWPYWJRMPH-QGZVFWFLSA-N 2 1 339.524 1.972 20 0 EDADMP CCC1(CC)CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000446712418 305269710 /nfs/dbraw/zinc/26/97/10/305269710.db2.gz RGVYAWPYWJRMPH-QGZVFWFLSA-N 2 1 339.524 1.972 20 0 EDADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000449119870 305307114 /nfs/dbraw/zinc/30/71/14/305307114.db2.gz AOZREYOODTZCOS-DLBZAZTESA-N 2 1 338.540 1.639 20 0 EDADMP CNS(=O)(=O)CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449267885 305310386 /nfs/dbraw/zinc/31/03/86/305310386.db2.gz CDGZRKQISSYXGY-UHFFFAOYSA-N 2 1 333.542 1.804 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C[C@H](C)O1 ZINC000449318652 305311398 /nfs/dbraw/zinc/31/13/98/305311398.db2.gz WSOABKZUAPTAEX-FUHIMQAGSA-N 2 1 345.487 1.533 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2C[NH2+]CCCO2)cc1)C1CC1 ZINC000449712380 305317747 /nfs/dbraw/zinc/31/77/47/305317747.db2.gz RKTOQKFYALBKMH-GOSISDBHSA-N 2 1 331.460 1.779 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452346232 305390884 /nfs/dbraw/zinc/39/08/84/305390884.db2.gz GOQONOMILHNVCZ-MRXNPFEDSA-N 2 1 349.475 1.204 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@@H+](C)Cc1ccccc1 ZINC000452367683 305393350 /nfs/dbraw/zinc/39/33/50/305393350.db2.gz BTDKKFWUBWVHEI-OALUTQOASA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+](C)Cc1ccccc1 ZINC000452367683 305393351 /nfs/dbraw/zinc/39/33/51/305393351.db2.gz BTDKKFWUBWVHEI-OALUTQOASA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+](C)Cc1ccccc1 ZINC000452367683 305393352 /nfs/dbraw/zinc/39/33/52/305393352.db2.gz BTDKKFWUBWVHEI-OALUTQOASA-N 2 1 347.503 1.860 20 0 EDADMP O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000452385962 305396469 /nfs/dbraw/zinc/39/64/69/305396469.db2.gz VVMAUJOBHITROQ-SJORKVTESA-N 2 1 337.508 1.604 20 0 EDADMP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000452385962 305396470 /nfs/dbraw/zinc/39/64/70/305396470.db2.gz VVMAUJOBHITROQ-SJORKVTESA-N 2 1 337.508 1.604 20 0 EDADMP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000452385962 305396471 /nfs/dbraw/zinc/39/64/71/305396471.db2.gz VVMAUJOBHITROQ-SJORKVTESA-N 2 1 337.508 1.604 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000515523231 305723970 /nfs/dbraw/zinc/72/39/70/305723970.db2.gz LUDZKUFCXRWKLV-LUKYLMHMSA-N 2 1 338.496 1.447 20 0 EDADMP COc1cccc(NC(=O)C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000516858068 305742795 /nfs/dbraw/zinc/74/27/95/305742795.db2.gz ZEMGRLNKQCZDFI-QAPCUYQASA-N 2 1 347.459 1.852 20 0 EDADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422120985 447359042 /nfs/dbraw/zinc/35/90/42/447359042.db2.gz QQQHYRSHJITONL-INIZCTEOSA-N 2 1 340.512 1.119 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000520548715 305780391 /nfs/dbraw/zinc/78/03/91/305780391.db2.gz JTZWWOIMGWJBBS-JKSUJKDBSA-N 2 1 326.485 1.317 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000521885705 305794689 /nfs/dbraw/zinc/79/46/89/305794689.db2.gz WWQCJOQQSOWIIS-OAHLLOKOSA-N 2 1 338.452 1.292 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000529314259 305907932 /nfs/dbraw/zinc/90/79/32/305907932.db2.gz CAJYSQDNWARWCU-PMPSAXMXSA-N 2 1 336.480 1.214 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000458434672 447365948 /nfs/dbraw/zinc/36/59/48/447365948.db2.gz YQJKTFQPVOYLQT-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000458434672 447365956 /nfs/dbraw/zinc/36/59/56/447365956.db2.gz YQJKTFQPVOYLQT-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000540913503 306041223 /nfs/dbraw/zinc/04/12/23/306041223.db2.gz RKBOVBQZIQNHEE-CEXWTWQISA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000540913503 306041224 /nfs/dbraw/zinc/04/12/24/306041224.db2.gz RKBOVBQZIQNHEE-CEXWTWQISA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000540913503 306041225 /nfs/dbraw/zinc/04/12/25/306041225.db2.gz RKBOVBQZIQNHEE-CEXWTWQISA-N 2 1 342.487 1.846 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000543692415 306066827 /nfs/dbraw/zinc/06/68/27/306066827.db2.gz DPNBINMGWXLMAE-UHFFFAOYSA-N 2 1 334.464 1.113 20 0 EDADMP CNC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000552040888 306174374 /nfs/dbraw/zinc/17/43/74/306174374.db2.gz FUWXGODZGRZYHJ-KZNAEPCWSA-N 2 1 331.460 1.774 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)CC1 ZINC000552178505 306177037 /nfs/dbraw/zinc/17/70/37/306177037.db2.gz ZNOGMFPCTUBNJV-NVXWUHKLSA-N 2 1 325.497 1.602 20 0 EDADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000552207083 306177628 /nfs/dbraw/zinc/17/76/28/306177628.db2.gz DMLWUPFBIZTUNP-ICSRJNTNSA-N 2 1 343.471 1.224 20 0 EDADMP CC[C@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[N@@H+](C)Cc1ccccc1 ZINC000556850961 306220093 /nfs/dbraw/zinc/22/00/93/306220093.db2.gz XFXWJPFQXXMSNM-QUCCMNQESA-N 2 1 345.487 1.470 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000557133925 306224720 /nfs/dbraw/zinc/22/47/20/306224720.db2.gz GWGJEBKWPIAMQV-NJAFHUGGSA-N 2 1 330.476 1.948 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000414946921 447369419 /nfs/dbraw/zinc/36/94/19/447369419.db2.gz UYWBDIUZWKOOQV-XJKSGUPXSA-N 2 1 344.459 1.476 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000458444251 447371666 /nfs/dbraw/zinc/37/16/66/447371666.db2.gz BDNYRITZSUYUTG-MRXNPFEDSA-N 2 1 326.485 1.007 20 0 EDADMP [NH3+]C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CC1 ZINC000414960455 447375551 /nfs/dbraw/zinc/37/55/51/447375551.db2.gz GURZQWLSSSCLLD-QGZVFWFLSA-N 2 1 332.448 1.420 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000458453130 447375607 /nfs/dbraw/zinc/37/56/07/447375607.db2.gz ISZSOONODLUBMH-KRWDZBQOSA-N 2 1 340.512 1.254 20 0 EDADMP CN(c1ccccc1C[NH2+]C[C@@H]1CNCCN1C)C1CC[NH+](C)CC1 ZINC000414971227 447380767 /nfs/dbraw/zinc/38/07/67/447380767.db2.gz ICDFYIYZRRNFNT-IBGZPJMESA-N 2 1 345.535 1.210 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000493974591 447421374 /nfs/dbraw/zinc/42/13/74/447421374.db2.gz BWIGSFUWGWFKFK-SJORKVTESA-N 2 1 331.460 1.557 20 0 EDADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000419806241 447425278 /nfs/dbraw/zinc/42/52/78/447425278.db2.gz RCZDFCAKKYGEKU-LSDHHAIUSA-N 2 1 338.496 1.001 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000378425773 447426274 /nfs/dbraw/zinc/42/62/74/447426274.db2.gz GHBSVOPCAWYGJF-UHFFFAOYSA-N 2 1 340.386 1.115 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000069936942 441092980 /nfs/dbraw/zinc/09/29/80/441092980.db2.gz ZEYRXKHCLNLSRO-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000105082523 441231095 /nfs/dbraw/zinc/23/10/95/441231095.db2.gz LRJQJNHEELFCRF-CRAIPNDOSA-N 2 1 332.492 1.941 20 0 EDADMP C[NH+]1CCC(CNC(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000105125378 441236188 /nfs/dbraw/zinc/23/61/88/441236188.db2.gz UOLQOKLFUDWTPV-UHFFFAOYSA-N 2 1 330.476 1.686 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000105178040 441240974 /nfs/dbraw/zinc/24/09/74/441240974.db2.gz FVXVSHFSDXQCGN-OAHLLOKOSA-N 2 1 336.505 1.842 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000105178040 441240977 /nfs/dbraw/zinc/24/09/77/441240977.db2.gz FVXVSHFSDXQCGN-OAHLLOKOSA-N 2 1 336.505 1.842 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000104782843 441208551 /nfs/dbraw/zinc/20/85/51/441208551.db2.gz ZSWQTJMSCPJPBT-MRXNPFEDSA-N 2 1 327.517 1.044 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000104782843 441208555 /nfs/dbraw/zinc/20/85/55/441208555.db2.gz ZSWQTJMSCPJPBT-MRXNPFEDSA-N 2 1 327.517 1.044 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000104782843 441208559 /nfs/dbraw/zinc/20/85/59/441208559.db2.gz ZSWQTJMSCPJPBT-MRXNPFEDSA-N 2 1 327.517 1.044 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000073131526 441296990 /nfs/dbraw/zinc/29/69/90/441296990.db2.gz SIGBDXMIUMUVQY-SFHVURJKSA-N 2 1 346.475 1.225 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000073131526 441296994 /nfs/dbraw/zinc/29/69/94/441296994.db2.gz SIGBDXMIUMUVQY-SFHVURJKSA-N 2 1 346.475 1.225 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)CC1 ZINC000105923737 441317642 /nfs/dbraw/zinc/31/76/42/441317642.db2.gz GDBVVPGFYZGTCZ-KRWDZBQOSA-N 2 1 333.480 1.429 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)CC1 ZINC000105923737 441317647 /nfs/dbraw/zinc/31/76/47/441317647.db2.gz GDBVVPGFYZGTCZ-KRWDZBQOSA-N 2 1 333.480 1.429 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000074181148 441403702 /nfs/dbraw/zinc/40/37/02/441403702.db2.gz YHWSHTQMDBFUSC-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000108618424 441469217 /nfs/dbraw/zinc/46/92/17/441469217.db2.gz WWLXSJMQQKWGPU-KRWDZBQOSA-N 2 1 344.459 1.287 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCC(C)CC2)C1 ZINC000053099519 441498453 /nfs/dbraw/zinc/49/84/53/441498453.db2.gz KUTHZAIJJCHWER-ABHNRTSZSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C2CCC(C)CC2)C1 ZINC000053099519 441498456 /nfs/dbraw/zinc/49/84/56/441498456.db2.gz KUTHZAIJJCHWER-ABHNRTSZSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C2CCC(C)CC2)C1 ZINC000053099519 441498458 /nfs/dbraw/zinc/49/84/58/441498458.db2.gz KUTHZAIJJCHWER-ABHNRTSZSA-N 2 1 339.524 1.970 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085823891 441451769 /nfs/dbraw/zinc/45/17/69/441451769.db2.gz VREVCCLDQFDYAB-HOTGVXAUSA-N 2 1 331.526 1.322 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085823891 441451772 /nfs/dbraw/zinc/45/17/72/441451772.db2.gz VREVCCLDQFDYAB-HOTGVXAUSA-N 2 1 331.526 1.322 20 0 EDADMP C[N@H+](CCN1CC[NH+](CCn2cncn2)CC1)Cc1ccccc1 ZINC000066534572 441541639 /nfs/dbraw/zinc/54/16/39/441541639.db2.gz FZNJOOCHOLUBPC-UHFFFAOYSA-N 2 1 328.464 1.028 20 0 EDADMP C[N@@H+](CCN1CC[NH+](CCn2cncn2)CC1)Cc1ccccc1 ZINC000066534572 441541641 /nfs/dbraw/zinc/54/16/41/441541641.db2.gz FZNJOOCHOLUBPC-UHFFFAOYSA-N 2 1 328.464 1.028 20 0 EDADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCOCC1 ZINC000113576508 441615134 /nfs/dbraw/zinc/61/51/34/441615134.db2.gz VHFNBMLGRPDWBX-INIZCTEOSA-N 2 1 326.485 1.272 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCC[NH+]1CCOCC1 ZINC000113576508 441615137 /nfs/dbraw/zinc/61/51/37/441615137.db2.gz VHFNBMLGRPDWBX-INIZCTEOSA-N 2 1 326.485 1.272 20 0 EDADMP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@H](C[NH+](C)C)C3)c2cc1C ZINC000113513426 441613020 /nfs/dbraw/zinc/61/30/20/441613020.db2.gz YPCGIEMWRVFKBW-IAGOWNOFSA-N 2 1 330.476 1.898 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]([NH3+])C3CC3)cc2)C[C@@H](C)O1 ZINC000137404971 441767829 /nfs/dbraw/zinc/76/78/29/441767829.db2.gz JMQMNZYUYFVWDN-LBTNJELSSA-N 2 1 331.460 1.763 20 0 EDADMP C[C@H](C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000137451806 441770289 /nfs/dbraw/zinc/77/02/89/441770289.db2.gz QVBVPURGCREHNW-YQVWRLOYSA-N 2 1 344.503 1.402 20 0 EDADMP C[C@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000137451806 441770294 /nfs/dbraw/zinc/77/02/94/441770294.db2.gz QVBVPURGCREHNW-YQVWRLOYSA-N 2 1 344.503 1.402 20 0 EDADMP CC1CC[NH+](CC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000137515393 441772056 /nfs/dbraw/zinc/77/20/56/441772056.db2.gz CYGYNNNWYWKOMJ-GOSISDBHSA-N 2 1 336.524 1.347 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000115825989 441780223 /nfs/dbraw/zinc/78/02/23/441780223.db2.gz YXQJYDDAABELKG-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115825989 441780230 /nfs/dbraw/zinc/78/02/30/441780230.db2.gz YXQJYDDAABELKG-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000115825989 441780239 /nfs/dbraw/zinc/78/02/39/441780239.db2.gz YXQJYDDAABELKG-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NCC[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000068414916 441793393 /nfs/dbraw/zinc/79/33/93/441793393.db2.gz HHUHONIXVQISBE-LJQANCHMSA-N 2 1 344.503 1.577 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000068515351 441812254 /nfs/dbraw/zinc/81/22/54/441812254.db2.gz BEAMMNRSNBCJTJ-IBGZPJMESA-N 2 1 346.519 1.823 20 0 EDADMP CCc1ccc([C@H](CNC(=O)[C@H](C)N2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000121931727 441814025 /nfs/dbraw/zinc/81/40/25/441814025.db2.gz XGFJRFBLBDSOFX-LPHOPBHVSA-N 2 1 346.519 1.604 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)c1 ZINC000043180565 441825323 /nfs/dbraw/zinc/82/53/23/441825323.db2.gz LAYMXHJWRRAQKS-UHFFFAOYSA-N 2 1 330.476 1.916 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000122213481 441838740 /nfs/dbraw/zinc/83/87/40/441838740.db2.gz UTWCAPJTLUBZEH-QZTJIDSGSA-N 2 1 338.540 1.495 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000173833684 441848890 /nfs/dbraw/zinc/84/88/90/441848890.db2.gz VWMJGVDXZRRLDY-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000173833684 441848892 /nfs/dbraw/zinc/84/88/92/441848892.db2.gz VWMJGVDXZRRLDY-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000173833684 441848896 /nfs/dbraw/zinc/84/88/96/441848896.db2.gz VWMJGVDXZRRLDY-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP CCOCCCNC(=O)C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000119091409 441916186 /nfs/dbraw/zinc/91/61/86/441916186.db2.gz IGGSQQNRIJXNJD-KRWDZBQOSA-N 2 1 325.497 1.726 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000069501062 441954172 /nfs/dbraw/zinc/95/41/72/441954172.db2.gz GCYHVFLXTASQEQ-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069501062 441954177 /nfs/dbraw/zinc/95/41/77/441954177.db2.gz GCYHVFLXTASQEQ-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069501062 441954183 /nfs/dbraw/zinc/95/41/83/441954183.db2.gz GCYHVFLXTASQEQ-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CN(CC1CCCCC1)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174712635 441955971 /nfs/dbraw/zinc/95/59/71/441955971.db2.gz NWSICQKBQWEAJS-UHFFFAOYSA-N 2 1 338.540 1.594 20 0 EDADMP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174889833 441980179 /nfs/dbraw/zinc/98/01/79/441980179.db2.gz HUJHASQNVRHNAF-MSOLQXFVSA-N 2 1 338.540 1.639 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000175558487 442085638 /nfs/dbraw/zinc/08/56/38/442085638.db2.gz GBXXUGKUEGNGBI-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)C1)Cc1ccc(F)cc1 ZINC000175748281 442115536 /nfs/dbraw/zinc/11/55/36/442115536.db2.gz DVOVSZFAAXHXPO-INIZCTEOSA-N 2 1 336.455 1.899 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+](C)C1)Cc1ccc(F)cc1 ZINC000175748281 442115540 /nfs/dbraw/zinc/11/55/40/442115540.db2.gz DVOVSZFAAXHXPO-INIZCTEOSA-N 2 1 336.455 1.899 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)Cc1ccc(F)cc1 ZINC000175748281 442115543 /nfs/dbraw/zinc/11/55/43/442115543.db2.gz DVOVSZFAAXHXPO-INIZCTEOSA-N 2 1 336.455 1.899 20 0 EDADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000163550779 442172959 /nfs/dbraw/zinc/17/29/59/442172959.db2.gz YGPDDGBREIGJHB-OAHLLOKOSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[N@@H+](CCO)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000176361040 442214740 /nfs/dbraw/zinc/21/47/40/442214740.db2.gz MYCVVIPXWURMTL-UHFFFAOYSA-N 2 1 333.476 1.601 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000128651775 442280212 /nfs/dbraw/zinc/28/02/12/442280212.db2.gz RDANIYHFQJIWEP-IRXDYDNUSA-N 2 1 345.491 1.193 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000129014446 442298308 /nfs/dbraw/zinc/29/83/08/442298308.db2.gz VIKFAKAHFJQLMA-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000171189149 442324521 /nfs/dbraw/zinc/32/45/21/442324521.db2.gz DXSDNNGMQFFPAC-HNNXBMFYSA-N 2 1 338.452 1.294 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000171191178 442324933 /nfs/dbraw/zinc/32/49/33/442324933.db2.gz CZDKBWMOSBZZSB-INIZCTEOSA-N 2 1 340.443 1.306 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000171200562 442326792 /nfs/dbraw/zinc/32/67/92/442326792.db2.gz BBOLIOVMJVNZME-WBVHZDCISA-N 2 1 328.501 1.374 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000131699925 442378033 /nfs/dbraw/zinc/37/80/33/442378033.db2.gz QLNMRMPMMLZEBU-SJLPKXTDSA-N 2 1 342.528 1.764 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@H+]1C1CC1 ZINC000131771695 442380119 /nfs/dbraw/zinc/38/01/19/442380119.db2.gz QWEXHPKVYHSHDL-GJZGRUSLSA-N 2 1 334.464 1.978 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000171905746 442389811 /nfs/dbraw/zinc/38/98/11/442389811.db2.gz OZGTUYFQVDMGPX-GDBMZVCRSA-N 2 1 337.468 1.238 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000171905746 442389812 /nfs/dbraw/zinc/38/98/12/442389812.db2.gz OZGTUYFQVDMGPX-GDBMZVCRSA-N 2 1 337.468 1.238 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000154765517 442356082 /nfs/dbraw/zinc/35/60/82/442356082.db2.gz RJCZPADFCTWFPW-ZWKOTPCHSA-N 2 1 335.492 1.717 20 0 EDADMP CN(C)C(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)[nH]1 ZINC000134083160 442449622 /nfs/dbraw/zinc/44/96/22/442449622.db2.gz CDNMVGHEEASNGW-UHFFFAOYSA-N 2 1 334.464 1.261 20 0 EDADMP CC[C@]1(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000134586001 442498232 /nfs/dbraw/zinc/49/82/32/442498232.db2.gz RIGXLCYRXQFHKJ-ZIFCJYIRSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000178852020 442502598 /nfs/dbraw/zinc/50/25/98/442502598.db2.gz YRJPIJOMADXQPL-LPHOPBHVSA-N 2 1 344.503 1.561 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@H+](C[C@H](O)Cc3ccccc3)C2)CC1 ZINC000179251558 442605562 /nfs/dbraw/zinc/60/55/62/442605562.db2.gz CHPDWQVXQDBLRL-VQTJNVASSA-N 2 1 331.504 1.692 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](C[C@H](O)Cc3ccccc3)C2)CC1 ZINC000179251558 442605565 /nfs/dbraw/zinc/60/55/65/442605565.db2.gz CHPDWQVXQDBLRL-VQTJNVASSA-N 2 1 331.504 1.692 20 0 EDADMP C[N@@H+]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000180653652 442643907 /nfs/dbraw/zinc/64/39/07/442643907.db2.gz JPAYOGAFFJLLGS-UHFFFAOYSA-N 2 1 346.475 1.731 20 0 EDADMP C[N@H+]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000180653652 442643912 /nfs/dbraw/zinc/64/39/12/442643912.db2.gz JPAYOGAFFJLLGS-UHFFFAOYSA-N 2 1 346.475 1.731 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000187519526 442680324 /nfs/dbraw/zinc/68/03/24/442680324.db2.gz ZNNJDYQGWRMPSI-HOTGVXAUSA-N 2 1 342.528 1.449 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCOCC3(CCOCC3)C2)CC1 ZINC000192795273 442687086 /nfs/dbraw/zinc/68/70/86/442687086.db2.gz SKOZSDDRHYAPGG-UHFFFAOYSA-N 2 1 339.524 1.532 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000188060655 442706586 /nfs/dbraw/zinc/70/65/86/442706586.db2.gz XWPDFGVEMBZVAK-MAUKXSAKSA-N 2 1 331.460 1.666 20 0 EDADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000188207361 442724372 /nfs/dbraw/zinc/72/43/72/442724372.db2.gz ASPMKYPHGKDYMV-OAHLLOKOSA-N 2 1 341.459 1.927 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000193303139 442731112 /nfs/dbraw/zinc/73/11/12/442731112.db2.gz XOGIQASUCDPIEU-CQSZACIVSA-N 2 1 332.448 1.069 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)SC ZINC000246556319 442793147 /nfs/dbraw/zinc/79/31/47/442793147.db2.gz LLFDZCYKOLMERI-GJZGRUSLSA-N 2 1 330.542 1.795 20 0 EDADMP C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CC(C)(C)O ZINC000188714297 442795420 /nfs/dbraw/zinc/79/54/20/442795420.db2.gz LCGLBQKYIGCLDC-HNNXBMFYSA-N 2 1 333.476 1.665 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000246672765 442800823 /nfs/dbraw/zinc/80/08/23/442800823.db2.gz GKNFLZXXIYLSJW-GJZGRUSLSA-N 2 1 336.484 1.687 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000193889712 442805904 /nfs/dbraw/zinc/80/59/04/442805904.db2.gz NJPZFUHBIOOFNW-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000182373043 442761456 /nfs/dbraw/zinc/76/14/56/442761456.db2.gz ZSCGFMJVBVECGN-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000182373043 442761458 /nfs/dbraw/zinc/76/14/58/442761458.db2.gz ZSCGFMJVBVECGN-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000182373043 442761459 /nfs/dbraw/zinc/76/14/59/442761459.db2.gz ZSCGFMJVBVECGN-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP CC(C)CNC(=O)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246447889 442783311 /nfs/dbraw/zinc/78/33/11/442783311.db2.gz DSBBRMNAEDDEQR-HOCLYGCPSA-N 2 1 336.480 1.417 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000247164177 442839298 /nfs/dbraw/zinc/83/92/98/442839298.db2.gz UXWFHWDUMGLCFQ-IAGOWNOFSA-N 2 1 338.496 1.082 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@H+](C[C@@H](O)COC(C)(C)C)C2)CC1 ZINC000182888737 442842996 /nfs/dbraw/zinc/84/29/96/442842996.db2.gz CXFREJBJSSPJQX-DLBZAZTESA-N 2 1 327.513 1.264 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](C[C@@H](O)COC(C)(C)C)C2)CC1 ZINC000182888737 442843002 /nfs/dbraw/zinc/84/30/02/442843002.db2.gz CXFREJBJSSPJQX-DLBZAZTESA-N 2 1 327.513 1.264 20 0 EDADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247541924 442861672 /nfs/dbraw/zinc/86/16/72/442861672.db2.gz KBEODHHRWGLFAT-MCIONIFRSA-N 2 1 335.452 1.779 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C[C@H]3CC[NH2+]C3)c2)CCO1 ZINC000249537508 442983985 /nfs/dbraw/zinc/98/39/85/442983985.db2.gz CXFZYTBVHLNVPH-NVXWUHKLSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C[C@H]3CC[NH2+]C3)c2)CCO1 ZINC000249537508 442983991 /nfs/dbraw/zinc/98/39/91/442983991.db2.gz CXFZYTBVHLNVPH-NVXWUHKLSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000189709301 442996868 /nfs/dbraw/zinc/99/68/68/442996868.db2.gz LDFRBEZEMPRKSC-PKOBYXMFSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000189709301 442996874 /nfs/dbraw/zinc/99/68/74/442996874.db2.gz LDFRBEZEMPRKSC-PKOBYXMFSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000261758770 443168432 /nfs/dbraw/zinc/16/84/32/443168432.db2.gz VPMGVOSQWSFSJP-KMFMINBZSA-N 2 1 326.444 1.733 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc2c1OCCCO2 ZINC000262148177 443184037 /nfs/dbraw/zinc/18/40/37/443184037.db2.gz ZQBKBIZWROQCFP-MRXNPFEDSA-N 2 1 347.459 1.667 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc2c1OCCCO2 ZINC000262148177 443184041 /nfs/dbraw/zinc/18/40/41/443184041.db2.gz ZQBKBIZWROQCFP-MRXNPFEDSA-N 2 1 347.459 1.667 20 0 EDADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CC[N@H+]1C ZINC000269055315 443184793 /nfs/dbraw/zinc/18/47/93/443184793.db2.gz SAGYKBCQJZRQQK-GSEOLPGOSA-N 3 1 331.504 1.942 20 0 EDADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC[NH+]1C ZINC000269055315 443184796 /nfs/dbraw/zinc/18/47/96/443184796.db2.gz SAGYKBCQJZRQQK-GSEOLPGOSA-N 3 1 331.504 1.942 20 0 EDADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC[NH+]1C ZINC000269055315 443184798 /nfs/dbraw/zinc/18/47/98/443184798.db2.gz SAGYKBCQJZRQQK-GSEOLPGOSA-N 3 1 331.504 1.942 20 0 EDADMP O=C([C@H]1CCCC[NH2+]1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000237884280 443185456 /nfs/dbraw/zinc/18/54/56/443185456.db2.gz WWRUGCUVCLCQSI-CYBMUJFWSA-N 2 1 337.386 1.242 20 0 EDADMP Cc1cccc2c1[nH+]cc(C)c2N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000185344966 443186227 /nfs/dbraw/zinc/18/62/27/443186227.db2.gz QEHLZRKWHFAQBZ-MRXNPFEDSA-N 2 1 329.444 1.981 20 0 EDADMP C[C@H](CNC(=O)C1(C[NH3+])CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000262412041 443193457 /nfs/dbraw/zinc/19/34/57/443193457.db2.gz ZIIRKKWLCKBFBN-CYBMUJFWSA-N 2 1 337.489 1.366 20 0 EDADMP C[C@H](CNC(=O)C1(C[NH3+])CCOCC1)[N@H+]1CCc2sccc2C1 ZINC000262412041 443193460 /nfs/dbraw/zinc/19/34/60/443193460.db2.gz ZIIRKKWLCKBFBN-CYBMUJFWSA-N 2 1 337.489 1.366 20 0 EDADMP COC(=O)Cn1cc(CC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000185716050 443243147 /nfs/dbraw/zinc/24/31/47/443243147.db2.gz WWYMCDQFTCTIOC-HUUCEWRRSA-N 2 1 349.479 1.236 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000190951315 443213214 /nfs/dbraw/zinc/21/32/14/443213214.db2.gz GTJGGPFORHQEEO-UHFFFAOYSA-N 2 1 331.460 1.729 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCN(Cc3ccccc3)CC2)C1 ZINC000414670235 319338778 /nfs/dbraw/zinc/33/87/78/319338778.db2.gz LUWXTRMBXZUUMM-IBGZPJMESA-N 2 1 344.503 1.392 20 0 EDADMP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414682681 319341878 /nfs/dbraw/zinc/34/18/78/319341878.db2.gz AELBKQAYDVQDTI-MCIONIFRSA-N 2 1 325.478 1.715 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCC[NH2+]C3)c2)C1 ZINC000415087893 319346952 /nfs/dbraw/zinc/34/69/52/319346952.db2.gz LFBWXEUKBMFZGU-ROUUACIJSA-N 2 1 330.476 1.226 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000185822661 443263937 /nfs/dbraw/zinc/26/39/37/443263937.db2.gz KOLPCAIIMIEZSI-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000185822095 443264130 /nfs/dbraw/zinc/26/41/30/443264130.db2.gz XDWQPKUDPHOTDR-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000185822095 443264134 /nfs/dbraw/zinc/26/41/34/443264134.db2.gz XDWQPKUDPHOTDR-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000185822095 443264137 /nfs/dbraw/zinc/26/41/37/443264137.db2.gz XDWQPKUDPHOTDR-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)CS(=O)(=O)CC ZINC000191493508 443302545 /nfs/dbraw/zinc/30/25/45/443302545.db2.gz FVPCHNCAIPWGRL-QGZVFWFLSA-N 2 1 347.569 1.548 20 0 EDADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)CS(=O)(=O)CC ZINC000191493508 443302549 /nfs/dbraw/zinc/30/25/49/443302549.db2.gz FVPCHNCAIPWGRL-QGZVFWFLSA-N 2 1 347.569 1.548 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000416921218 319474990 /nfs/dbraw/zinc/47/49/90/319474990.db2.gz NBRYITQHJQNYEN-SOUVJXGZSA-N 2 1 328.501 1.547 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000416948135 319482746 /nfs/dbraw/zinc/48/27/46/319482746.db2.gz YTTNCCUYJJYWPG-WBVHZDCISA-N 2 1 326.485 1.114 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]CCN2C(=O)c3ccccc3C2=O)CCCO1 ZINC000278454314 443336734 /nfs/dbraw/zinc/33/67/34/443336734.db2.gz YODLGOQYSPNZCA-HNNXBMFYSA-N 2 1 345.443 1.373 20 0 EDADMP C[NH+](C)C1(CNc2nc3ccccc3nc2N2CC[NH+](C)CC2)CC1 ZINC000419011948 319541723 /nfs/dbraw/zinc/54/17/23/319541723.db2.gz UNWVTKXJTOXMAS-UHFFFAOYSA-N 2 1 340.475 1.888 20 0 EDADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000423052386 319749853 /nfs/dbraw/zinc/74/98/53/319749853.db2.gz QLQDUZZMZIVFKS-IAGOWNOFSA-N 2 1 337.489 1.976 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000273055666 443529976 /nfs/dbraw/zinc/52/99/76/443529976.db2.gz IFUWXXVYQKPBTH-NXHRZFHOSA-N 2 1 331.460 1.516 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000279200257 443533152 /nfs/dbraw/zinc/53/31/52/443533152.db2.gz MOYBKEGDBQVZGS-TXPKVOOTSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000279200257 443533155 /nfs/dbraw/zinc/53/31/55/443533155.db2.gz MOYBKEGDBQVZGS-TXPKVOOTSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000279200257 443533159 /nfs/dbraw/zinc/53/31/59/443533159.db2.gz MOYBKEGDBQVZGS-TXPKVOOTSA-N 2 1 345.487 1.600 20 0 EDADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(OC)c(OC)c1 ZINC000283511170 443650485 /nfs/dbraw/zinc/65/04/85/443650485.db2.gz KYQVHJGWNZGRQG-UHFFFAOYSA-N 2 1 349.475 1.690 20 0 EDADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(OC)c(OC)c1 ZINC000283511170 443650487 /nfs/dbraw/zinc/65/04/87/443650487.db2.gz KYQVHJGWNZGRQG-UHFFFAOYSA-N 2 1 349.475 1.690 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2F)CC1 ZINC000449748419 320204560 /nfs/dbraw/zinc/20/45/60/320204560.db2.gz MBYZOUGYCYSGSU-QAPCUYQASA-N 2 1 346.450 1.402 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCC[C@@H](C)C1 ZINC000457724543 320333620 /nfs/dbraw/zinc/33/36/20/320333620.db2.gz YTUCKYIFEXHHDK-IKGGRYGDSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000457724543 320333621 /nfs/dbraw/zinc/33/36/21/320333621.db2.gz YTUCKYIFEXHHDK-IKGGRYGDSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000457724543 320333622 /nfs/dbraw/zinc/33/36/22/320333622.db2.gz YTUCKYIFEXHHDK-IKGGRYGDSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000471647701 320353215 /nfs/dbraw/zinc/35/32/15/320353215.db2.gz IDRLXABMMUUKCY-UHFFFAOYSA-N 2 1 348.491 1.482 20 0 EDADMP CC[NH+](CC)CCNC(=O)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000283806553 443726000 /nfs/dbraw/zinc/72/60/00/443726000.db2.gz WSSKWXSRRPUDAQ-UHFFFAOYSA-N 2 1 348.491 1.213 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276616471 443766605 /nfs/dbraw/zinc/76/66/05/443766605.db2.gz MAFVQJFERCMZJB-AWEZNQCLSA-N 2 1 326.444 1.946 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000288111931 443774596 /nfs/dbraw/zinc/77/45/96/443774596.db2.gz VPBFKADTSFWHDG-CGTJXYLNSA-N 2 1 348.491 1.119 20 0 EDADMP COc1cc(C[NH+]2CCC[C@@H](O)C2)cc(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000292683257 443816714 /nfs/dbraw/zinc/81/67/14/443816714.db2.gz RHGNPFSTBCNEHC-QZTJIDSGSA-N 2 1 334.460 1.609 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292940797 443883507 /nfs/dbraw/zinc/88/35/07/443883507.db2.gz JVUPYIJDVXDXMI-LIRRHRJNSA-N 2 1 344.459 1.530 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC000293077889 443918573 /nfs/dbraw/zinc/91/85/73/443918573.db2.gz QCZBXYSJLTUGIU-UHFFFAOYSA-N 2 1 343.431 1.573 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000299262887 444000411 /nfs/dbraw/zinc/00/04/11/444000411.db2.gz QGIILPPEBPZEGJ-UHFFFAOYSA-N 2 1 346.519 1.894 20 0 EDADMP CC(C)[N@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000299262887 444000414 /nfs/dbraw/zinc/00/04/14/444000414.db2.gz QGIILPPEBPZEGJ-UHFFFAOYSA-N 2 1 346.519 1.894 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH+]4CCCC[C@@H]34)cc2C1 ZINC000299101761 443955299 /nfs/dbraw/zinc/95/52/99/443955299.db2.gz SYCIJCTUFBEANB-SJORKVTESA-N 2 1 342.443 1.314 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH+]4CCCC[C@@H]34)cc2C1 ZINC000299101761 443955303 /nfs/dbraw/zinc/95/53/03/443955303.db2.gz SYCIJCTUFBEANB-SJORKVTESA-N 2 1 342.443 1.314 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2C1 ZINC000299101761 443955306 /nfs/dbraw/zinc/95/53/06/443955306.db2.gz SYCIJCTUFBEANB-SJORKVTESA-N 2 1 342.443 1.314 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2C1 ZINC000299101761 443955309 /nfs/dbraw/zinc/95/53/09/443955309.db2.gz SYCIJCTUFBEANB-SJORKVTESA-N 2 1 342.443 1.314 20 0 EDADMP COC[C@@H]1CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000293528162 444044568 /nfs/dbraw/zinc/04/45/68/444044568.db2.gz JFJIXXBGDDOBIK-SFHVURJKSA-N 2 1 331.460 1.619 20 0 EDADMP COC[C@@H]1CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000293528162 444044574 /nfs/dbraw/zinc/04/45/74/444044574.db2.gz JFJIXXBGDDOBIK-SFHVURJKSA-N 2 1 331.460 1.619 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCOCC1 ZINC000557115925 320999704 /nfs/dbraw/zinc/99/97/04/320999704.db2.gz AXEAPZHIRDMACL-KGLIPLIRSA-N 2 1 348.438 1.030 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000557241620 321000949 /nfs/dbraw/zinc/00/09/49/321000949.db2.gz WBYYONTXTJSYGL-ARFHVFGLSA-N 2 1 338.496 1.399 20 0 EDADMP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285727391 444087899 /nfs/dbraw/zinc/08/78/99/444087899.db2.gz XIMOVBUUIODWKI-WOJBJXKFSA-N 2 1 340.471 1.842 20 0 EDADMP O=C(C[NH2+]C1CC1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000563112452 321097444 /nfs/dbraw/zinc/09/74/44/321097444.db2.gz GIDBQDKNCQXLMT-UHFFFAOYSA-N 2 1 331.464 1.335 20 0 EDADMP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000563395810 321108246 /nfs/dbraw/zinc/10/82/46/321108246.db2.gz CEOCXWQCIITPHH-KXBFYZLASA-N 2 1 335.492 1.214 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-n2ccnn2)cc1 ZINC000564230362 321123797 /nfs/dbraw/zinc/12/37/97/321123797.db2.gz RDIXLMRMUODBLS-HNNXBMFYSA-N 2 1 342.447 1.082 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCCC2)[C@@H](C)C1 ZINC000565039603 321165483 /nfs/dbraw/zinc/16/54/83/321165483.db2.gz DERDMYVIYGLUGS-HOTGVXAUSA-N 2 1 325.497 1.759 20 0 EDADMP O=C1[C@H](N2CCN(c3[nH]cc[nH+]3)CC2)CCCN1c1cccc(F)c1 ZINC000565165005 321171450 /nfs/dbraw/zinc/17/14/50/321171450.db2.gz OMXALXSBCKQJCM-MRXNPFEDSA-N 2 1 343.406 1.866 20 0 EDADMP [NH3+][C@H]1C[C@@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000565308451 321180851 /nfs/dbraw/zinc/18/08/51/321180851.db2.gz VEGQSQADJPZOBO-HDICACEKSA-N 2 1 330.476 1.048 20 0 EDADMP C[C@@H](CNC[C@@H](O)C[N@@H+](C)C1CC1)c1nc(-c2ccccc2)no1 ZINC000567726080 321254509 /nfs/dbraw/zinc/25/45/09/321254509.db2.gz YASKEMIDOSRZGR-XJKSGUPXSA-N 2 1 330.432 1.885 20 0 EDADMP C[C@@H](C[NH2+]C[C@@H](O)CN(C)C1CC1)c1nc(-c2ccccc2)no1 ZINC000567726080 321254511 /nfs/dbraw/zinc/25/45/11/321254511.db2.gz YASKEMIDOSRZGR-XJKSGUPXSA-N 2 1 330.432 1.885 20 0 EDADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1nc(-c2ccccc2)no1 ZINC000567726080 321254513 /nfs/dbraw/zinc/25/45/13/321254513.db2.gz YASKEMIDOSRZGR-XJKSGUPXSA-N 2 1 330.432 1.885 20 0 EDADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1nc(-c2ccccc2)no1 ZINC000567726080 321254515 /nfs/dbraw/zinc/25/45/15/321254515.db2.gz YASKEMIDOSRZGR-XJKSGUPXSA-N 2 1 330.432 1.885 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCCCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000567739194 321256577 /nfs/dbraw/zinc/25/65/77/321256577.db2.gz FEQBYZUGVRKQRN-IEBWSBKVSA-N 2 1 344.503 1.846 20 0 EDADMP COc1ccc([C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000567889970 321265761 /nfs/dbraw/zinc/26/57/61/321265761.db2.gz PXXSPTODXQBGHQ-HXUWFJFHSA-N 2 1 339.439 1.806 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CCOC ZINC000567979915 321270922 /nfs/dbraw/zinc/27/09/22/321270922.db2.gz CBUSHYQMGHFYSB-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CCOC ZINC000567979915 321270923 /nfs/dbraw/zinc/27/09/23/321270923.db2.gz CBUSHYQMGHFYSB-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000568998077 321313972 /nfs/dbraw/zinc/31/39/72/321313972.db2.gz VRDHTMLNGBDQCD-AZUAARDMSA-N 2 1 342.487 1.896 20 0 EDADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc2c(c1)C[NH2+]C2 ZINC000569967197 321332543 /nfs/dbraw/zinc/33/25/43/321332543.db2.gz OBCMVICLMFNOPY-QZTJIDSGSA-N 2 1 329.444 1.663 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000285787574 444107759 /nfs/dbraw/zinc/10/77/59/444107759.db2.gz OGNSQHYWPWTXBV-DOTOQJQBSA-N 2 1 347.459 1.724 20 0 EDADMP Cc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)ccc1-n1cncn1 ZINC000282314270 444146159 /nfs/dbraw/zinc/14/61/59/444146159.db2.gz KPVYQVFZVZAGJT-UHFFFAOYSA-N 2 1 342.491 1.691 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC)nc1 ZINC000299712780 444122521 /nfs/dbraw/zinc/12/25/21/444122521.db2.gz JCWYJIFXTMMTSJ-MRXNPFEDSA-N 2 1 334.464 1.578 20 0 EDADMP Cc1nccn1-c1cncc(N[C@@H](C)CCN2CC[NH+](C)CC2)n1 ZINC000302299938 444211179 /nfs/dbraw/zinc/21/11/79/444211179.db2.gz YHQSXMWQXUYJML-AWEZNQCLSA-N 2 1 329.452 1.409 20 0 EDADMP COc1nccnc1CNCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000296328065 444221359 /nfs/dbraw/zinc/22/13/59/444221359.db2.gz HONUKCKBSXNJST-HNNXBMFYSA-N 2 1 342.443 1.996 20 0 EDADMP COc1nccnc1CNCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000296328065 444221362 /nfs/dbraw/zinc/22/13/62/444221362.db2.gz HONUKCKBSXNJST-HNNXBMFYSA-N 2 1 342.443 1.996 20 0 EDADMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000295444165 444184323 /nfs/dbraw/zinc/18/43/23/444184323.db2.gz LQMATSHFXUNYKV-RTBURBONSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290311924 444265825 /nfs/dbraw/zinc/26/58/25/444265825.db2.gz FZILAYLXUGWSCA-IPMKNSEASA-N 2 1 343.471 1.345 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290311924 444265827 /nfs/dbraw/zinc/26/58/27/444265827.db2.gz FZILAYLXUGWSCA-IPMKNSEASA-N 2 1 343.471 1.345 20 0 EDADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CSC[NH2+]1 ZINC000576946118 321609667 /nfs/dbraw/zinc/60/96/67/321609667.db2.gz ICBMKYPAADZIHL-MRXNPFEDSA-N 2 1 334.489 1.809 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000290079380 444239076 /nfs/dbraw/zinc/23/90/76/444239076.db2.gz VYPCCTYRYFBJQN-MNEFBYGVSA-N 2 1 345.487 1.912 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000290079380 444239078 /nfs/dbraw/zinc/23/90/78/444239078.db2.gz VYPCCTYRYFBJQN-MNEFBYGVSA-N 2 1 345.487 1.912 20 0 EDADMP CS(=O)(=O)N1CCC[C@@H](C[N@@H+](CCC[NH3+])Cc2ccccc2)C1 ZINC000303989249 444239590 /nfs/dbraw/zinc/23/95/90/444239590.db2.gz REONNULUZPIXQB-KRWDZBQOSA-N 2 1 339.505 1.509 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000304023248 444240778 /nfs/dbraw/zinc/24/07/78/444240778.db2.gz YPIFMIYGKWRZOG-QGZVFWFLSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccn3ccnc3c2)C[C@H](C)O1 ZINC000290556712 444294811 /nfs/dbraw/zinc/29/48/11/444294811.db2.gz DKANEFHUQBRIPH-OKILXGFUSA-N 2 1 331.420 1.907 20 0 EDADMP C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000331176700 444432384 /nfs/dbraw/zinc/43/23/84/444432384.db2.gz GRSVPRZECLCTDX-OAHLLOKOSA-N 2 1 339.480 1.345 20 0 EDADMP C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000331176700 444432387 /nfs/dbraw/zinc/43/23/87/444432387.db2.gz GRSVPRZECLCTDX-OAHLLOKOSA-N 2 1 339.480 1.345 20 0 EDADMP C[NH+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000331176700 444432388 /nfs/dbraw/zinc/43/23/88/444432388.db2.gz GRSVPRZECLCTDX-OAHLLOKOSA-N 2 1 339.480 1.345 20 0 EDADMP C[NH+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000331176700 444432390 /nfs/dbraw/zinc/43/23/90/444432390.db2.gz GRSVPRZECLCTDX-OAHLLOKOSA-N 2 1 339.480 1.345 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+]C[C@@H](O)C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000580065001 322004109 /nfs/dbraw/zinc/00/41/09/322004109.db2.gz FZWFNNBZSAJBEQ-HZPDHXFCSA-N 2 1 345.409 1.878 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSCC2CC[NH2+]CC2)C1 ZINC000580949948 322116221 /nfs/dbraw/zinc/11/62/21/322116221.db2.gz CBWRQWTYCQQCEL-INIZCTEOSA-N 2 1 343.537 1.192 20 0 EDADMP CC(C)CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000581200293 322148806 /nfs/dbraw/zinc/14/88/06/322148806.db2.gz ONCGLRAGEHDGOR-WMZOPIPTSA-N 2 1 331.460 1.855 20 0 EDADMP CC(C)CCOc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000581200293 322148808 /nfs/dbraw/zinc/14/88/08/322148808.db2.gz ONCGLRAGEHDGOR-WMZOPIPTSA-N 2 1 331.460 1.855 20 0 EDADMP COCCOC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000581411458 322173712 /nfs/dbraw/zinc/17/37/12/322173712.db2.gz NSERRJQNYCAYMK-IBGZPJMESA-N 2 1 336.476 1.573 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000338255348 444590968 /nfs/dbraw/zinc/59/09/68/444590968.db2.gz SORWLJLTEBNDCG-JENIJYKNSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCOC[C@@H](C)C1 ZINC000338255348 444590972 /nfs/dbraw/zinc/59/09/72/444590972.db2.gz SORWLJLTEBNDCG-JENIJYKNSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOC[C@@H](C)C1 ZINC000338255348 444590976 /nfs/dbraw/zinc/59/09/76/444590976.db2.gz SORWLJLTEBNDCG-JENIJYKNSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOC[C@@H](C)C1 ZINC000338255348 444590979 /nfs/dbraw/zinc/59/09/79/444590979.db2.gz SORWLJLTEBNDCG-JENIJYKNSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(CCCn3ccnc3)CC2)CC1 ZINC000338286070 444612021 /nfs/dbraw/zinc/61/20/21/444612021.db2.gz GAALKDYNRXWZLL-UHFFFAOYSA-N 2 1 347.507 1.539 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000342288865 444615461 /nfs/dbraw/zinc/61/54/61/444615461.db2.gz ADMJCIGYCKJOHO-IAGOWNOFSA-N 2 1 339.528 1.138 20 0 EDADMP CC[C@H](CO)[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000338299586 444618107 /nfs/dbraw/zinc/61/81/07/444618107.db2.gz XIPDOEOHABXWFX-GOSISDBHSA-N 2 1 333.476 1.424 20 0 EDADMP CC[C@H](CO)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000338299586 444618113 /nfs/dbraw/zinc/61/81/13/444618113.db2.gz XIPDOEOHABXWFX-GOSISDBHSA-N 2 1 333.476 1.424 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H]1C ZINC000343916186 444666608 /nfs/dbraw/zinc/66/66/08/444666608.db2.gz KWOYGUKINVHPSE-OAGGEKHMSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)[NH+](C)C ZINC000341107613 444677628 /nfs/dbraw/zinc/67/76/28/444677628.db2.gz WYUDYWFNPNSGLV-GOSISDBHSA-N 2 1 338.540 1.590 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C[C@@H]1[NH3+] ZINC000333945707 444725941 /nfs/dbraw/zinc/72/59/41/444725941.db2.gz TXBMQNUVYHNFIT-YCPHGPKFSA-N 2 1 336.505 1.949 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCOC ZINC000341203569 444726735 /nfs/dbraw/zinc/72/67/35/444726735.db2.gz OLOQLOTUGHFHBB-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCOC ZINC000341203569 444726739 /nfs/dbraw/zinc/72/67/39/444726739.db2.gz OLOQLOTUGHFHBB-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCOC ZINC000341203569 444726746 /nfs/dbraw/zinc/72/67/46/444726746.db2.gz OLOQLOTUGHFHBB-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)[C@@H](n2cncn2)C1 ZINC000333758318 444695470 /nfs/dbraw/zinc/69/54/70/444695470.db2.gz ADQOLLJDJVIONG-VVUWUOFOSA-N 2 1 346.523 1.814 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@H](O)CC(F)(F)F ZINC000344157673 444812663 /nfs/dbraw/zinc/81/26/63/444812663.db2.gz WDYQHQQIYCDCCX-CQSZACIVSA-N 2 1 325.419 1.649 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000342685021 444812740 /nfs/dbraw/zinc/81/27/40/444812740.db2.gz BBEFIXHNEUVUJT-YQVWRLOYSA-N 2 1 344.503 1.511 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000342685021 444812742 /nfs/dbraw/zinc/81/27/42/444812742.db2.gz BBEFIXHNEUVUJT-YQVWRLOYSA-N 2 1 344.503 1.511 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@@H](C)CS(C)(=O)=O ZINC000344171095 444819855 /nfs/dbraw/zinc/81/98/55/444819855.db2.gz PDMYCLGQRRTKHR-MRXNPFEDSA-N 2 1 333.542 1.017 20 0 EDADMP CC[N@@H+](CC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)C1CC1 ZINC000344241275 444858126 /nfs/dbraw/zinc/85/81/26/444858126.db2.gz AILZDHORMBLZNA-UHFFFAOYSA-N 2 1 336.524 1.488 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCO[C@H](C)C2)[C@H](C)C1 ZINC000337320531 445032598 /nfs/dbraw/zinc/03/25/98/445032598.db2.gz PEYLTSWAINDHOK-KURKYZTESA-N 2 1 327.513 1.434 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000343013948 445006420 /nfs/dbraw/zinc/00/64/20/445006420.db2.gz HAFGGZORCYZIID-HNNXBMFYSA-N 2 1 340.512 1.071 20 0 EDADMP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339065204 445016247 /nfs/dbraw/zinc/01/62/47/445016247.db2.gz CMXMWDSNSUBLQQ-SJORKVTESA-N 2 1 331.460 1.918 20 0 EDADMP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339065204 445016253 /nfs/dbraw/zinc/01/62/53/445016253.db2.gz CMXMWDSNSUBLQQ-SJORKVTESA-N 2 1 331.460 1.918 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000343088040 445052904 /nfs/dbraw/zinc/05/29/04/445052904.db2.gz LULOQBJHWXZHGU-MNEFBYGVSA-N 2 1 345.487 1.457 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000343088040 445052907 /nfs/dbraw/zinc/05/29/07/445052907.db2.gz LULOQBJHWXZHGU-MNEFBYGVSA-N 2 1 345.487 1.457 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000343088040 445052911 /nfs/dbraw/zinc/05/29/11/445052911.db2.gz LULOQBJHWXZHGU-MNEFBYGVSA-N 2 1 345.487 1.457 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCO[C@@H](C(C)(C)C)C3)cn2)CC1 ZINC000343122325 445079865 /nfs/dbraw/zinc/07/98/65/445079865.db2.gz VNTUGGBGFXNHNY-DLBZAZTESA-N 2 1 347.507 1.912 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000337450057 445086369 /nfs/dbraw/zinc/08/63/69/445086369.db2.gz DWNYXNQCMWHMCT-QGZVFWFLSA-N 2 1 345.553 1.302 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)ccn1 ZINC000344640050 445099610 /nfs/dbraw/zinc/09/96/10/445099610.db2.gz HTUBFAIHYWADCT-MRXNPFEDSA-N 2 1 348.491 1.872 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](CCOC)CC1)CC(C)C ZINC000339623644 445154114 /nfs/dbraw/zinc/15/41/14/445154114.db2.gz GKBOEWFHMGSKNN-QGZVFWFLSA-N 2 1 342.528 1.717 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000346019071 445204158 /nfs/dbraw/zinc/20/41/58/445204158.db2.gz PMXXTPCVFZKIBY-MSOLQXFVSA-N 2 1 331.460 1.611 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000346019071 445204160 /nfs/dbraw/zinc/20/41/60/445204160.db2.gz PMXXTPCVFZKIBY-MSOLQXFVSA-N 2 1 331.460 1.611 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)[NH+](C)C1 ZINC000346225542 445208638 /nfs/dbraw/zinc/20/86/38/445208638.db2.gz ZRRJSMLXWRXJTR-BZUAXINKSA-N 2 1 326.485 1.079 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[NH+]2CCC[C@@H](C)C2)[N@H+](C)C1 ZINC000346225542 445208639 /nfs/dbraw/zinc/20/86/39/445208639.db2.gz ZRRJSMLXWRXJTR-BZUAXINKSA-N 2 1 326.485 1.079 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[NH+]2CCC[C@@H](C)C2)[N@@H+](C)C1 ZINC000346225542 445208641 /nfs/dbraw/zinc/20/86/41/445208641.db2.gz ZRRJSMLXWRXJTR-BZUAXINKSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@H](C)C1 ZINC000337671874 445195434 /nfs/dbraw/zinc/19/54/34/445195434.db2.gz DKZNASLBTLMXAE-DLBZAZTESA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@H](C)C1 ZINC000337671874 445195436 /nfs/dbraw/zinc/19/54/36/445195436.db2.gz DKZNASLBTLMXAE-DLBZAZTESA-N 2 1 345.487 1.865 20 0 EDADMP CCOC(=O)CCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000343423090 445219395 /nfs/dbraw/zinc/21/93/95/445219395.db2.gz WGGCZFWGTYXEMQ-UHFFFAOYSA-N 2 1 325.497 1.820 20 0 EDADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCO1 ZINC000346694773 445223125 /nfs/dbraw/zinc/22/31/25/445223125.db2.gz WDKHDIVKYTVZAQ-XMTFNYHQSA-N 2 1 337.508 1.772 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000347519460 445240656 /nfs/dbraw/zinc/24/06/56/445240656.db2.gz MZKDTVJGYUQEID-HXUWFJFHSA-N 2 1 345.487 1.820 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000347519460 445240657 /nfs/dbraw/zinc/24/06/57/445240657.db2.gz MZKDTVJGYUQEID-HXUWFJFHSA-N 2 1 345.487 1.820 20 0 EDADMP COc1cc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc(OC)c1 ZINC000354494143 445261928 /nfs/dbraw/zinc/26/19/28/445261928.db2.gz KKPRPSADVZTWPB-UHFFFAOYSA-N 2 1 335.448 1.916 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@H](C)C1 ZINC000354532679 445283455 /nfs/dbraw/zinc/28/34/55/445283455.db2.gz KKXUHOLSMBAHME-XNIRIUNOSA-N 2 1 340.512 1.203 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348143281 445287665 /nfs/dbraw/zinc/28/76/65/445287665.db2.gz LYTTZNIJDSCHCR-BBWFWOEESA-N 2 1 327.513 1.920 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348143281 445287667 /nfs/dbraw/zinc/28/76/67/445287667.db2.gz LYTTZNIJDSCHCR-BBWFWOEESA-N 2 1 327.513 1.920 20 0 EDADMP C[N@@H+](CC(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CCSC1 ZINC000343664597 445290762 /nfs/dbraw/zinc/29/07/62/445290762.db2.gz KDNAEJDBSYJFER-HNNXBMFYSA-N 2 1 341.521 1.185 20 0 EDADMP C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)C(C)(C)C[NH+](C)C ZINC000343686945 445303271 /nfs/dbraw/zinc/30/32/71/445303271.db2.gz WDTVLWSXVYWUND-CQSZACIVSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351856819 445344220 /nfs/dbraw/zinc/34/42/20/445344220.db2.gz WPZILJWJVVPJFW-SQWLQELKSA-N 2 1 347.459 1.174 20 0 EDADMP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351856819 445344222 /nfs/dbraw/zinc/34/42/22/445344222.db2.gz WPZILJWJVVPJFW-SQWLQELKSA-N 2 1 347.459 1.174 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](CCCS(=O)(=O)NC)CC1)CC1CC1 ZINC000357081789 445414975 /nfs/dbraw/zinc/41/49/75/445414975.db2.gz IHFMCIOMSSGIER-UHFFFAOYSA-N 2 1 345.553 1.760 20 0 EDADMP C[NH+](C/C=C\C[N@@H+](C)CCc1cnccn1)CCc1cnccn1 ZINC000357035951 445387809 /nfs/dbraw/zinc/38/78/09/445387809.db2.gz JFYBIPAWDIUSCY-ARJAWSKDSA-N 2 1 326.448 1.472 20 0 EDADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000352060496 445465195 /nfs/dbraw/zinc/46/51/95/445465195.db2.gz UKGIXJZTZHXHEQ-SJORKVTESA-N 2 1 326.529 1.541 20 0 EDADMP C[C@@H](C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000357249927 445507724 /nfs/dbraw/zinc/50/77/24/445507724.db2.gz SQTILLPFPBGGHW-BBRMVZONSA-N 2 1 332.448 1.386 20 0 EDADMP CC1CC[NH+](CCNC(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)CC1 ZINC000362712780 445513489 /nfs/dbraw/zinc/51/34/89/445513489.db2.gz XLHIBLXFMFZPNC-IRXDYDNUSA-N 2 1 338.496 1.271 20 0 EDADMP CC1CC[NH+](CCNC(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)CC1 ZINC000362712780 445513492 /nfs/dbraw/zinc/51/34/92/445513492.db2.gz XLHIBLXFMFZPNC-IRXDYDNUSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000359983374 445513514 /nfs/dbraw/zinc/51/35/14/445513514.db2.gz HUPUBAMKCUEHNX-CQSZACIVSA-N 2 1 338.839 1.437 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000359983374 445513518 /nfs/dbraw/zinc/51/35/18/445513518.db2.gz HUPUBAMKCUEHNX-CQSZACIVSA-N 2 1 338.839 1.437 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000352526008 445534766 /nfs/dbraw/zinc/53/47/66/445534766.db2.gz JDLNVYOUGCYGJK-SFHVURJKSA-N 2 1 334.464 1.639 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000352526008 445534773 /nfs/dbraw/zinc/53/47/73/445534773.db2.gz JDLNVYOUGCYGJK-SFHVURJKSA-N 2 1 334.464 1.639 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000352521482 445535196 /nfs/dbraw/zinc/53/51/96/445535196.db2.gz JFPFCNVKQGIXSX-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H](C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000357243081 445502151 /nfs/dbraw/zinc/50/21/51/445502151.db2.gz PYLMUWMUCIXCKB-QGZVFWFLSA-N 2 1 344.503 1.166 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000360125101 445581866 /nfs/dbraw/zinc/58/18/66/445581866.db2.gz NQTPXWOVHOUCEB-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000358128970 445605806 /nfs/dbraw/zinc/60/58/06/445605806.db2.gz DHQSLSSBHOOJHI-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000362914486 445608301 /nfs/dbraw/zinc/60/83/01/445608301.db2.gz XMAVFCZXPATFRT-CVEARBPZSA-N 2 1 332.448 1.474 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000353466199 445614083 /nfs/dbraw/zinc/61/40/83/445614083.db2.gz GRKCFBOBSOSUGO-FPCVCCKLSA-N 2 1 325.497 1.625 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C ZINC000358272757 445614421 /nfs/dbraw/zinc/61/44/21/445614421.db2.gz IRGPHUPZGPEIOU-PMPSAXMXSA-N 2 1 326.485 1.221 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000358272757 445614423 /nfs/dbraw/zinc/61/44/23/445614423.db2.gz IRGPHUPZGPEIOU-PMPSAXMXSA-N 2 1 326.485 1.221 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000358272757 445614425 /nfs/dbraw/zinc/61/44/25/445614425.db2.gz IRGPHUPZGPEIOU-PMPSAXMXSA-N 2 1 326.485 1.221 20 0 EDADMP CCN(CCC[NH+](CC)CC)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000349597146 445621634 /nfs/dbraw/zinc/62/16/34/445621634.db2.gz ITXJPTMEDLWGQS-UHFFFAOYSA-N 2 1 338.500 1.750 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000358610691 445674664 /nfs/dbraw/zinc/67/46/64/445674664.db2.gz VSLXQAYOWILEQS-MRXNPFEDSA-N 2 1 341.544 1.432 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000358610691 445674666 /nfs/dbraw/zinc/67/46/66/445674666.db2.gz VSLXQAYOWILEQS-MRXNPFEDSA-N 2 1 341.544 1.432 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000358610691 445674671 /nfs/dbraw/zinc/67/46/71/445674671.db2.gz VSLXQAYOWILEQS-MRXNPFEDSA-N 2 1 341.544 1.432 20 0 EDADMP O=C(NCCNc1cc[nH+]cc1)NCC[N@H+]1CCc2ccccc2C1 ZINC000356223308 445684416 /nfs/dbraw/zinc/68/44/16/445684416.db2.gz KSKDDDBMCKVYEQ-UHFFFAOYSA-N 2 1 339.443 1.273 20 0 EDADMP COCCn1cc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cn1 ZINC000363167094 445704598 /nfs/dbraw/zinc/70/45/98/445704598.db2.gz CSFLVFMBEVTSHA-CGTJXYLNSA-N 2 1 336.480 1.509 20 0 EDADMP COCCn1cc(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cn1 ZINC000363167094 445704603 /nfs/dbraw/zinc/70/46/03/445704603.db2.gz CSFLVFMBEVTSHA-CGTJXYLNSA-N 2 1 336.480 1.509 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000363181016 445711271 /nfs/dbraw/zinc/71/12/71/445711271.db2.gz PNCVZDGEHQQHGB-UHFFFAOYSA-N 2 1 340.512 1.616 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC1(O)CCC1 ZINC000356284253 445717286 /nfs/dbraw/zinc/71/72/86/445717286.db2.gz SVZFUXHEQCYBAL-INIZCTEOSA-N 2 1 340.512 1.349 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000349929659 445723901 /nfs/dbraw/zinc/72/39/01/445723901.db2.gz CKJCAXYRJSWUMJ-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000349929659 445723905 /nfs/dbraw/zinc/72/39/05/445723905.db2.gz CKJCAXYRJSWUMJ-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000349955646 445733131 /nfs/dbraw/zinc/73/31/31/445733131.db2.gz ZMXREZOAGOAIOR-IXDOHACOSA-N 2 1 340.512 1.659 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000349955646 445733134 /nfs/dbraw/zinc/73/31/34/445733134.db2.gz ZMXREZOAGOAIOR-IXDOHACOSA-N 2 1 340.512 1.659 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000349955646 445733137 /nfs/dbraw/zinc/73/31/37/445733137.db2.gz ZMXREZOAGOAIOR-IXDOHACOSA-N 2 1 340.512 1.659 20 0 EDADMP O=C(NC1CC[NH+](C2CC2)CC1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360982473 445742430 /nfs/dbraw/zinc/74/24/30/445742430.db2.gz CPQUJFQEOBTHGA-JCGIZDLHSA-N 2 1 332.492 1.739 20 0 EDADMP CCOC(=O)CC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358876741 445827013 /nfs/dbraw/zinc/82/70/13/445827013.db2.gz VAQQWJGWIVVQLI-HOTGVXAUSA-N 2 1 342.480 1.530 20 0 EDADMP C[C@@H](CCc1ccccc1)[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363492975 445829518 /nfs/dbraw/zinc/82/95/18/445829518.db2.gz KDLDTYACOPKJCE-AZUAARDMSA-N 2 1 331.504 1.956 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000356509909 445832385 /nfs/dbraw/zinc/83/23/85/445832385.db2.gz UYVDNMGBEKFOEY-JKSUJKDBSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000350261275 445803066 /nfs/dbraw/zinc/80/30/66/445803066.db2.gz XDVRIQZDTIAVIS-KRWDZBQOSA-N 2 1 325.497 1.868 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)C[NH+]1CCOCC1 ZINC000350267823 445804074 /nfs/dbraw/zinc/80/40/74/445804074.db2.gz OMKFIJHSDBAHKF-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)C[NH+]1CCOCC1 ZINC000350267823 445804079 /nfs/dbraw/zinc/80/40/79/445804079.db2.gz OMKFIJHSDBAHKF-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000350321660 445811667 /nfs/dbraw/zinc/81/16/67/445811667.db2.gz RQQISCGWQNBTOX-IBGZPJMESA-N 2 1 344.503 1.345 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C1 ZINC000363882757 445881051 /nfs/dbraw/zinc/88/10/51/445881051.db2.gz BMDAVZYQHADOQR-INIZCTEOSA-N 2 1 347.507 1.668 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C1 ZINC000363882757 445881052 /nfs/dbraw/zinc/88/10/52/445881052.db2.gz BMDAVZYQHADOQR-INIZCTEOSA-N 2 1 347.507 1.668 20 0 EDADMP CC[C@]1(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[NH2+]C1 ZINC000363511861 445838860 /nfs/dbraw/zinc/83/88/60/445838860.db2.gz QBMUKAKCXTVGFS-IBGZPJMESA-N 2 1 331.460 1.890 20 0 EDADMP CCn1nc(C)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000354041014 445870362 /nfs/dbraw/zinc/87/03/62/445870362.db2.gz QJYISPMMNGCMEG-BEFAXECRSA-N 2 1 333.524 1.978 20 0 EDADMP CCn1nc(C)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000354041014 445870363 /nfs/dbraw/zinc/87/03/63/445870363.db2.gz QJYISPMMNGCMEG-BEFAXECRSA-N 2 1 333.524 1.978 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000354049462 445874772 /nfs/dbraw/zinc/87/47/72/445874772.db2.gz NUOUDJDLLWMRDC-OAHLLOKOSA-N 2 1 334.464 1.371 20 0 EDADMP COC1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000361725260 445899881 /nfs/dbraw/zinc/89/98/81/445899881.db2.gz DFMPPPGCAYHXGX-GOSISDBHSA-N 2 1 345.487 1.783 20 0 EDADMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@H]1CCS(=O)(=O)C1)CC2)C1CC1 ZINC000365046940 445990528 /nfs/dbraw/zinc/99/05/28/445990528.db2.gz XQCIFACBBKJDKR-HUUCEWRRSA-N 2 1 326.506 1.617 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000356765190 445995439 /nfs/dbraw/zinc/99/54/39/445995439.db2.gz KDGVYZHBVZHCBW-HNNXBMFYSA-N 2 1 335.496 1.477 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000356765190 445995449 /nfs/dbraw/zinc/99/54/49/445995449.db2.gz KDGVYZHBVZHCBW-HNNXBMFYSA-N 2 1 335.496 1.477 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C[C@@H]1C ZINC000361791985 445950510 /nfs/dbraw/zinc/95/05/10/445950510.db2.gz HROIGJMBMIVABL-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C[C@@H]1C ZINC000361791985 445950517 /nfs/dbraw/zinc/95/05/17/445950517.db2.gz HROIGJMBMIVABL-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000361792780 445951703 /nfs/dbraw/zinc/95/17/03/445951703.db2.gz QTPRHPQTADCJCA-HNNXBMFYSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000373087797 446019155 /nfs/dbraw/zinc/01/91/55/446019155.db2.gz MURGCINXYPYGTP-YJBOKZPZSA-N 2 1 334.439 1.015 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)[nH+]c1 ZINC000369217911 446000808 /nfs/dbraw/zinc/00/08/08/446000808.db2.gz DHKMRYHCEAKQCU-DLBZAZTESA-N 2 1 345.491 2.460 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)[nH+]c1 ZINC000369217911 446000811 /nfs/dbraw/zinc/00/08/11/446000811.db2.gz DHKMRYHCEAKQCU-DLBZAZTESA-N 2 1 345.491 2.460 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000361852823 446005883 /nfs/dbraw/zinc/00/58/83/446005883.db2.gz YKPNKLKNROMPID-OAHLLOKOSA-N 2 1 336.455 1.993 20 0 EDADMP C[C@@H]1CC[NH+](C)CCN1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000361852823 446005890 /nfs/dbraw/zinc/00/58/90/446005890.db2.gz YKPNKLKNROMPID-OAHLLOKOSA-N 2 1 336.455 1.993 20 0 EDADMP C[C@@H]1CC[NH+](C)CCN1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000361852823 446005894 /nfs/dbraw/zinc/00/58/94/446005894.db2.gz YKPNKLKNROMPID-OAHLLOKOSA-N 2 1 336.455 1.993 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000583154355 326015274 /nfs/dbraw/zinc/01/52/74/326015274.db2.gz ZZJPDWVEKPCDLF-SFHVURJKSA-N 2 1 344.503 1.609 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000583154355 326015276 /nfs/dbraw/zinc/01/52/76/326015276.db2.gz ZZJPDWVEKPCDLF-SFHVURJKSA-N 2 1 344.503 1.609 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000583253422 326035282 /nfs/dbraw/zinc/03/52/82/326035282.db2.gz RROYSKXROOFKHK-QGZVFWFLSA-N 2 1 346.475 1.665 20 0 EDADMP O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000583312052 326046745 /nfs/dbraw/zinc/04/67/45/326046745.db2.gz WANSUCRZOQUJMT-DLBZAZTESA-N 2 1 338.496 1.272 20 0 EDADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000359223437 446054101 /nfs/dbraw/zinc/05/41/01/446054101.db2.gz RZLCKGSBZRWYIX-RHSMWYFYSA-N 2 1 346.475 1.883 20 0 EDADMP C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583430251 326070841 /nfs/dbraw/zinc/07/08/41/326070841.db2.gz CGZCRCRGKLYUKW-NJAFHUGGSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583430251 326070846 /nfs/dbraw/zinc/07/08/46/326070846.db2.gz CGZCRCRGKLYUKW-NJAFHUGGSA-N 2 1 346.475 1.327 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1=O ZINC000365154453 446057177 /nfs/dbraw/zinc/05/71/77/446057177.db2.gz IGNZHNUMQSUTPA-GOEBONIOSA-N 2 1 333.480 1.304 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1=O ZINC000365154453 446057180 /nfs/dbraw/zinc/05/71/80/446057180.db2.gz IGNZHNUMQSUTPA-GOEBONIOSA-N 2 1 333.480 1.304 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC[C@@H](C)O)CC2)CC1 ZINC000584003804 326183113 /nfs/dbraw/zinc/18/31/13/326183113.db2.gz QIVIUTNGRFJOKA-OAHLLOKOSA-N 2 1 325.497 1.460 20 0 EDADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000584166721 326212309 /nfs/dbraw/zinc/21/23/09/326212309.db2.gz ONELPXCDTXZEOU-CQSZACIVSA-N 2 1 327.494 1.976 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000373192726 446088897 /nfs/dbraw/zinc/08/88/97/446088897.db2.gz WANBEVVFQGANJD-CEXWTWQISA-N 2 1 344.503 1.895 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c2ccccc2)CC1 ZINC000365220304 446085051 /nfs/dbraw/zinc/08/50/51/446085051.db2.gz GGXAEJATGFSDLR-UHOSZYNNSA-N 2 1 342.487 1.186 20 0 EDADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351497569 446102759 /nfs/dbraw/zinc/10/27/59/446102759.db2.gz UKTPLKBNMZYRNU-UHXUPSOCSA-N 2 1 334.395 1.531 20 0 EDADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351497569 446102762 /nfs/dbraw/zinc/10/27/62/446102762.db2.gz UKTPLKBNMZYRNU-UHXUPSOCSA-N 2 1 334.395 1.531 20 0 EDADMP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351498343 446103611 /nfs/dbraw/zinc/10/36/11/446103611.db2.gz VMDOXINVGUVCNX-CQDKDKBSSA-N 2 1 337.851 1.634 20 0 EDADMP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351498343 446103618 /nfs/dbraw/zinc/10/36/18/446103618.db2.gz VMDOXINVGUVCNX-CQDKDKBSSA-N 2 1 337.851 1.634 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000365406008 446192417 /nfs/dbraw/zinc/19/24/17/446192417.db2.gz MQQCQVOYKHBLKU-SFHVURJKSA-N 2 1 346.475 1.235 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000365406008 446192420 /nfs/dbraw/zinc/19/24/20/446192420.db2.gz MQQCQVOYKHBLKU-SFHVURJKSA-N 2 1 346.475 1.235 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)c2C1 ZINC000351558725 446156985 /nfs/dbraw/zinc/15/69/85/446156985.db2.gz SHNSMBIPWIMLPD-INIZCTEOSA-N 2 1 330.432 1.219 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)c2C1 ZINC000351558725 446156993 /nfs/dbraw/zinc/15/69/93/446156993.db2.gz SHNSMBIPWIMLPD-INIZCTEOSA-N 2 1 330.432 1.219 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000373396177 446199613 /nfs/dbraw/zinc/19/96/13/446199613.db2.gz SWAIEWGRXJPCNS-IAGOWNOFSA-N 2 1 336.480 1.048 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)C2)nc(C)[nH+]1 ZINC000366420751 446204120 /nfs/dbraw/zinc/20/41/20/446204120.db2.gz XKQOOXSOTYNDMB-RCBQFDQVSA-N 2 1 331.464 1.567 20 0 EDADMP O=C(CC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000351620369 446214645 /nfs/dbraw/zinc/21/46/45/446214645.db2.gz PGRGCNGAJGYWIE-LJQANCHMSA-N 2 1 345.487 1.532 20 0 EDADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@@H](O)COC3CCOCC3)C2)c1 ZINC000370345067 446238366 /nfs/dbraw/zinc/23/83/66/446238366.db2.gz FMQLIKFTZAIQLF-IAGOWNOFSA-N 2 1 349.475 1.680 20 0 EDADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@@H](O)COC3CCOCC3)C2)c1 ZINC000370345067 446238370 /nfs/dbraw/zinc/23/83/70/446238370.db2.gz FMQLIKFTZAIQLF-IAGOWNOFSA-N 2 1 349.475 1.680 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)CC[NH2+]1 ZINC000373562576 446262311 /nfs/dbraw/zinc/26/23/11/446262311.db2.gz UTGJWJBQYYKMCL-MPTYRVRUSA-N 2 1 333.480 1.307 20 0 EDADMP C[C@H]1CCC[N@H+]1C1CCN(C[C@@H](O)COC2CCOCC2)CC1 ZINC000366585902 446269636 /nfs/dbraw/zinc/26/96/36/446269636.db2.gz OEMKXNMICLFBFI-DOTOQJQBSA-N 2 1 326.481 1.492 20 0 EDADMP C[NH+](C)CCOc1cnccc1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000365616539 446274956 /nfs/dbraw/zinc/27/49/56/446274956.db2.gz APTJNYDOLRVFHT-OAHLLOKOSA-N 2 1 343.431 1.412 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[NH+](CCCOC)CC1 ZINC000365620704 446276798 /nfs/dbraw/zinc/27/67/98/446276798.db2.gz OTAWWKRUHDQHTD-UHFFFAOYSA-N 2 1 328.501 1.472 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CCC[N@H+](CCCOC)CC1 ZINC000365620704 446276802 /nfs/dbraw/zinc/27/68/02/446276802.db2.gz OTAWWKRUHDQHTD-UHFFFAOYSA-N 2 1 328.501 1.472 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000365620704 446276804 /nfs/dbraw/zinc/27/68/04/446276804.db2.gz OTAWWKRUHDQHTD-UHFFFAOYSA-N 2 1 328.501 1.472 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000417337852 446347689 /nfs/dbraw/zinc/34/76/89/446347689.db2.gz JKLWTLAHJKKTQA-AYOQOUSVSA-N 2 1 342.487 1.684 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000366745316 446332215 /nfs/dbraw/zinc/33/22/15/446332215.db2.gz MNQHSHJQWFMQDM-SQNIBIBYSA-N 2 1 337.508 1.330 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417332383 446345423 /nfs/dbraw/zinc/34/54/23/446345423.db2.gz QYSPRWNSQAQSPT-ZJIFWQFVSA-N 2 1 326.485 1.255 20 0 EDADMP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000374099937 446352998 /nfs/dbraw/zinc/35/29/98/446352998.db2.gz QCWHAVNYGVDQBF-SFHVURJKSA-N 2 1 330.476 1.990 20 0 EDADMP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000374099937 446353001 /nfs/dbraw/zinc/35/30/01/446353001.db2.gz QCWHAVNYGVDQBF-SFHVURJKSA-N 2 1 330.476 1.990 20 0 EDADMP CN1CCN(C(=O)CN2CCCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000376152199 446357175 /nfs/dbraw/zinc/35/71/75/446357175.db2.gz SWHJRUGDTDWUNV-IEBWSBKVSA-N 2 1 331.460 1.349 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417768411 446373038 /nfs/dbraw/zinc/37/30/38/446373038.db2.gz FGIWJCQGFFFPFD-INIZCTEOSA-N 2 1 347.503 1.913 20 0 EDADMP CN(C)C(=O)c1ccccc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000417922690 446386889 /nfs/dbraw/zinc/38/68/89/446386889.db2.gz FUTLCUVHWMPMMN-KRWDZBQOSA-N 2 1 333.476 1.715 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000374872126 446427747 /nfs/dbraw/zinc/42/77/47/446427747.db2.gz GECVBHNGMWWKBX-QUCCMNQESA-N 2 1 345.487 1.739 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000374872126 446427749 /nfs/dbraw/zinc/42/77/49/446427749.db2.gz GECVBHNGMWWKBX-QUCCMNQESA-N 2 1 345.487 1.739 20 0 EDADMP [NH3+]CCCOC1CC[NH+]([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000420287194 446452511 /nfs/dbraw/zinc/45/25/11/446452511.db2.gz HOQHNXWEHRVKPR-ZDUSSCGKSA-N 2 1 337.386 1.370 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)CC1 ZINC000366973625 446436203 /nfs/dbraw/zinc/43/62/03/446436203.db2.gz BAAYWKQOKZMAQE-VQIMIIECSA-N 2 1 331.460 1.036 20 0 EDADMP COCC[C@]1(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000370778569 446436401 /nfs/dbraw/zinc/43/64/01/446436401.db2.gz GKPWGWZQMKZNAR-OXJNMPFZSA-N 2 1 345.487 1.566 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000417992963 446409817 /nfs/dbraw/zinc/40/98/17/446409817.db2.gz NGBSPFKXCGIZEO-MSOLQXFVSA-N 2 1 348.491 1.426 20 0 EDADMP Cc1nccn1-c1cccc(NC[C@H]2CN(CC(C)C)CCO2)n1 ZINC000370750351 446415798 /nfs/dbraw/zinc/41/57/98/446415798.db2.gz PUODJQUUAVNTMO-INIZCTEOSA-N 2 1 329.448 2.344 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)C[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000370765724 446424794 /nfs/dbraw/zinc/42/47/94/446424794.db2.gz GYMMMZMNOPGILU-ROUUACIJSA-N 2 1 330.476 1.233 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000418205171 446456874 /nfs/dbraw/zinc/45/68/74/446456874.db2.gz QVECIHWLUWXPQF-UAGQMJEPSA-N 2 1 340.512 1.645 20 0 EDADMP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])s1 ZINC000420311119 446472765 /nfs/dbraw/zinc/47/27/65/446472765.db2.gz NCQOVFMMZGXYAP-LBPRGKRZSA-N 2 1 339.461 1.354 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])s1 ZINC000420311119 446472773 /nfs/dbraw/zinc/47/27/73/446472773.db2.gz NCQOVFMMZGXYAP-LBPRGKRZSA-N 2 1 339.461 1.354 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000418251007 446473245 /nfs/dbraw/zinc/47/32/45/446473245.db2.gz XMEGGCROAXSAOQ-HUUCEWRRSA-N 2 1 326.485 1.112 20 0 EDADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCN2CC[NH2+]CC2)C3)cc1 ZINC000423204166 446453738 /nfs/dbraw/zinc/45/37/38/446453738.db2.gz NWEFXDHYZKYQCK-OWZKRDHZSA-N 3 1 328.504 1.677 20 0 EDADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCN2CC[NH2+]CC2)C3)cc1 ZINC000423204166 446453744 /nfs/dbraw/zinc/45/37/44/446453744.db2.gz NWEFXDHYZKYQCK-OWZKRDHZSA-N 2 1 328.504 1.677 20 0 EDADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCCN2CC[NH2+]CC2)C3)cc1 ZINC000423204166 446453748 /nfs/dbraw/zinc/45/37/48/446453748.db2.gz NWEFXDHYZKYQCK-OWZKRDHZSA-N 2 1 328.504 1.677 20 0 EDADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCCN2CC[NH2+]CC2)C3)cc1 ZINC000423204166 446453754 /nfs/dbraw/zinc/45/37/54/446453754.db2.gz NWEFXDHYZKYQCK-OWZKRDHZSA-N 2 1 328.504 1.677 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423309989 446483540 /nfs/dbraw/zinc/48/35/40/446483540.db2.gz QZDPBJZCGYJYNP-HOTGVXAUSA-N 2 1 347.507 1.881 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH2+]CC1 ZINC000418315026 446496192 /nfs/dbraw/zinc/49/61/92/446496192.db2.gz YBYJJQIVGNGGPS-KRWDZBQOSA-N 2 1 330.476 1.902 20 0 EDADMP CC[C@@H]1CN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC[N@H+]1C[C@H](C)O ZINC000420325927 446493904 /nfs/dbraw/zinc/49/39/04/446493904.db2.gz WWJUOBGZSWSYRD-CGTJXYLNSA-N 2 1 335.492 1.515 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000418311515 446494095 /nfs/dbraw/zinc/49/40/95/446494095.db2.gz FYMKBRYVHOPWLM-SFHVURJKSA-N 2 1 330.476 1.904 20 0 EDADMP CC[C@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CC[N@H+]1C[C@@H](C)O ZINC000418311043 446494979 /nfs/dbraw/zinc/49/49/79/446494979.db2.gz FFPVPFBUWOAXMM-CABCVRRESA-N 2 1 326.485 1.135 20 0 EDADMP COc1cc(C[NH+]2C[C@@H](O)C[C@H]2C)cc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000432772980 446501915 /nfs/dbraw/zinc/50/19/15/446501915.db2.gz YTOQFOHZAWGWJX-PURYLZLUSA-N 2 1 334.460 1.605 20 0 EDADMP COc1cc(C[NH+]2C[C@H](O)C[C@@H]2C)cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1 ZINC000432772980 446501923 /nfs/dbraw/zinc/50/19/23/446501923.db2.gz YTOQFOHZAWGWJX-PURYLZLUSA-N 2 1 334.460 1.605 20 0 EDADMP COCC[N@H+]1CC[C@H](N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423361923 446501943 /nfs/dbraw/zinc/50/19/43/446501943.db2.gz HBNDFQAYDSHRLI-DAYGRLMNSA-N 2 1 339.430 1.721 20 0 EDADMP COc1cc(C[NH+]2C[C@H](O)C[C@@H]2C)cc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1 ZINC000432772980 446501930 /nfs/dbraw/zinc/50/19/30/446501930.db2.gz YTOQFOHZAWGWJX-PURYLZLUSA-N 2 1 334.460 1.605 20 0 EDADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334977 446504516 /nfs/dbraw/zinc/50/45/16/446504516.db2.gz UQEDAPYZLGAEMW-IXDOHACOSA-N 2 1 337.508 1.711 20 0 EDADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334977 446504519 /nfs/dbraw/zinc/50/45/19/446504519.db2.gz UQEDAPYZLGAEMW-IXDOHACOSA-N 2 1 337.508 1.711 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CN2CCCC[C@H]2CO1 ZINC000367096223 446506269 /nfs/dbraw/zinc/50/62/69/446506269.db2.gz JBSXBQIRQVUSTG-WCXIOVBPSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000367096223 446506273 /nfs/dbraw/zinc/50/62/73/446506273.db2.gz JBSXBQIRQVUSTG-WCXIOVBPSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000367096223 446506278 /nfs/dbraw/zinc/50/62/78/446506278.db2.gz JBSXBQIRQVUSTG-WCXIOVBPSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367096223 446506284 /nfs/dbraw/zinc/50/62/84/446506284.db2.gz JBSXBQIRQVUSTG-WCXIOVBPSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367096223 446506287 /nfs/dbraw/zinc/50/62/87/446506287.db2.gz JBSXBQIRQVUSTG-WCXIOVBPSA-N 2 1 336.480 1.118 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420337026 446507733 /nfs/dbraw/zinc/50/77/33/446507733.db2.gz WGVZKWPIHWYKKH-SJORKVTESA-N 3 1 333.476 1.425 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420337026 446507738 /nfs/dbraw/zinc/50/77/38/446507738.db2.gz WGVZKWPIHWYKKH-SJORKVTESA-N 2 1 333.476 1.425 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418354962 446511649 /nfs/dbraw/zinc/51/16/49/446511649.db2.gz WUVBDGASFMDLON-SJLPKXTDSA-N 2 1 330.476 1.902 20 0 EDADMP CC[C@H]1CN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC[N@@H+]1CCOC ZINC000423383539 446511908 /nfs/dbraw/zinc/51/19/08/446511908.db2.gz JMQVVCPWTNSNDW-DLBZAZTESA-N 2 1 325.497 1.853 20 0 EDADMP CC[C@H]1CN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC[N@H+]1CCOC ZINC000423383539 446511912 /nfs/dbraw/zinc/51/19/12/446511912.db2.gz JMQVVCPWTNSNDW-DLBZAZTESA-N 2 1 325.497 1.853 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341452 446512777 /nfs/dbraw/zinc/51/27/77/446512777.db2.gz OOFAKUGFVCFRFT-ZWKOTPCHSA-N 2 1 345.487 1.675 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420342306 446513138 /nfs/dbraw/zinc/51/31/38/446513138.db2.gz PGNADXYOAYYVJC-DLBZAZTESA-N 2 1 331.460 1.633 20 0 EDADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423533307 446564516 /nfs/dbraw/zinc/56/45/16/446564516.db2.gz XGCDCHMJYJUQQQ-ZDUSSCGKSA-N 2 1 325.478 1.730 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000418497302 446566402 /nfs/dbraw/zinc/56/64/02/446566402.db2.gz WCEWTCJKXUHBGV-CABCVRRESA-N 2 1 348.491 1.693 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc2nsnc21 ZINC000420346601 446518714 /nfs/dbraw/zinc/51/87/14/446518714.db2.gz YWAVUKRWPLOSRD-CHWSQXEVSA-N 2 1 345.472 1.951 20 0 EDADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000420348612 446525244 /nfs/dbraw/zinc/52/52/44/446525244.db2.gz MGZDVCOHIRGSHN-IAGOWNOFSA-N 2 1 330.476 1.610 20 0 EDADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000420348612 446525251 /nfs/dbraw/zinc/52/52/51/446525251.db2.gz MGZDVCOHIRGSHN-IAGOWNOFSA-N 2 1 330.476 1.610 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418399911 446529245 /nfs/dbraw/zinc/52/92/45/446529245.db2.gz XPJGHZCNKXDDNB-JONQDZQNSA-N 2 1 326.485 1.125 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418399911 446529247 /nfs/dbraw/zinc/52/92/47/446529247.db2.gz XPJGHZCNKXDDNB-JONQDZQNSA-N 2 1 326.485 1.125 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)cn1 ZINC000418399456 446529635 /nfs/dbraw/zinc/52/96/35/446529635.db2.gz KYSGKPDOQMSJTM-QGZVFWFLSA-N 2 1 348.495 1.248 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)cn1 ZINC000418399456 446529644 /nfs/dbraw/zinc/52/96/44/446529644.db2.gz KYSGKPDOQMSJTM-QGZVFWFLSA-N 2 1 348.495 1.248 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418402346 446530700 /nfs/dbraw/zinc/53/07/00/446530700.db2.gz ZDNYEBDWYOERMX-VQIMIIECSA-N 2 1 348.491 1.120 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423426603 446530789 /nfs/dbraw/zinc/53/07/89/446530789.db2.gz NAFPKJPOVDWHTC-OUUBHVDSSA-N 2 1 329.488 1.457 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423426603 446530795 /nfs/dbraw/zinc/53/07/95/446530795.db2.gz NAFPKJPOVDWHTC-OUUBHVDSSA-N 3 1 329.488 1.457 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423426603 446530796 /nfs/dbraw/zinc/53/07/96/446530796.db2.gz NAFPKJPOVDWHTC-OUUBHVDSSA-N 3 1 329.488 1.457 20 0 EDADMP CC(C)([NH3+])CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418415198 446535086 /nfs/dbraw/zinc/53/50/86/446535086.db2.gz NEPJWYURJYLXEC-IRXDYDNUSA-N 2 1 330.476 1.887 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000423438941 446538181 /nfs/dbraw/zinc/53/81/81/446538181.db2.gz VWHZQYIAQNIZRV-HOTGVXAUSA-N 2 1 340.512 1.009 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1)[NH+]1CCOCC1 ZINC000375057658 446551389 /nfs/dbraw/zinc/55/13/89/446551389.db2.gz GUMOQMCUWXGTSQ-IXDOHACOSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1)[NH+]1CCOCC1 ZINC000375057658 446551394 /nfs/dbraw/zinc/55/13/94/446551394.db2.gz GUMOQMCUWXGTSQ-IXDOHACOSA-N 2 1 338.496 1.079 20 0 EDADMP CCc1ccc([C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)cc1 ZINC000420374520 446553075 /nfs/dbraw/zinc/55/30/75/446553075.db2.gz NYECCSWEEXFBDX-SFHVURJKSA-N 2 1 331.460 1.444 20 0 EDADMP CCc1ccc([C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)cc1 ZINC000420374520 446553077 /nfs/dbraw/zinc/55/30/77/446553077.db2.gz NYECCSWEEXFBDX-SFHVURJKSA-N 2 1 331.460 1.444 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420379611 446556891 /nfs/dbraw/zinc/55/68/91/446556891.db2.gz XTDYZOKEJJHXRM-INIZCTEOSA-N 2 1 332.448 1.611 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418615838 446617152 /nfs/dbraw/zinc/61/71/52/446617152.db2.gz HNIQIUNEQYDCTM-MRXNPFEDSA-N 2 1 339.528 1.219 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[NH2+]CCOC)CC[N@H+]1Cc1ccccc1 ZINC000418504353 446569598 /nfs/dbraw/zinc/56/95/98/446569598.db2.gz BMHNLAHBDOOBIS-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000418506368 446571387 /nfs/dbraw/zinc/57/13/87/446571387.db2.gz GHHAIRCGLDSQIQ-UHFFFAOYSA-N 2 1 346.475 1.794 20 0 EDADMP C[C@@H]1CN(C(=O)NCC(F)(F)C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000418511981 446574579 /nfs/dbraw/zinc/57/45/79/446574579.db2.gz KOCMIIQHTMGOGE-AWEZNQCLSA-N 2 1 340.418 1.744 20 0 EDADMP C[C@@H]1CN(C(=O)NCC(F)(F)C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000418511981 446574586 /nfs/dbraw/zinc/57/45/86/446574586.db2.gz KOCMIIQHTMGOGE-AWEZNQCLSA-N 2 1 340.418 1.744 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@@H]1C[NH3+] ZINC000420401352 446575321 /nfs/dbraw/zinc/57/53/21/446575321.db2.gz JELADBMTXZMXLT-CVEARBPZSA-N 2 1 348.466 1.391 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@@H]1C[NH3+] ZINC000420401352 446575326 /nfs/dbraw/zinc/57/53/26/446575326.db2.gz JELADBMTXZMXLT-CVEARBPZSA-N 2 1 348.466 1.391 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000420403236 446577007 /nfs/dbraw/zinc/57/70/07/446577007.db2.gz KXPKUAYTZODGQC-OCCSQVGLSA-N 2 1 341.402 1.821 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000420403236 446577009 /nfs/dbraw/zinc/57/70/09/446577009.db2.gz KXPKUAYTZODGQC-OCCSQVGLSA-N 2 1 341.402 1.821 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H](C[NH+](C)C)C2)CCCO1 ZINC000433465768 446578380 /nfs/dbraw/zinc/57/83/80/446578380.db2.gz IXWIJISRDNHNQX-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)NCCN2CCc3ccccc32)C[C@@H]1C[NH3+] ZINC000420409364 446582576 /nfs/dbraw/zinc/58/25/76/446582576.db2.gz QNBATFOYSFCXIG-WBVHZDCISA-N 2 1 330.476 1.082 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCCN2CCc3ccccc32)C[C@@H]1C[NH3+] ZINC000420409364 446582580 /nfs/dbraw/zinc/58/25/80/446582580.db2.gz QNBATFOYSFCXIG-WBVHZDCISA-N 2 1 330.476 1.082 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418538662 446585388 /nfs/dbraw/zinc/58/53/88/446585388.db2.gz DWKXBYFVHBMIGW-NVXWUHKLSA-N 2 1 333.480 1.815 20 0 EDADMP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418551742 446590681 /nfs/dbraw/zinc/59/06/81/446590681.db2.gz GZNFRRWVWVVELF-AEFFLSMTSA-N 2 1 330.476 1.697 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[C@H]1C ZINC000418676809 446645527 /nfs/dbraw/zinc/64/55/27/446645527.db2.gz ABUJVSYEEQSDID-BZUAXINKSA-N 2 1 326.485 1.114 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[C@H]1C ZINC000418676809 446645532 /nfs/dbraw/zinc/64/55/32/446645532.db2.gz ABUJVSYEEQSDID-BZUAXINKSA-N 2 1 326.485 1.114 20 0 EDADMP C[C@H]1CN(Cc2c[nH]c3nccnc23)CC[N@H+]1C1CCN(C)CC1 ZINC000368108974 446646420 /nfs/dbraw/zinc/64/64/20/446646420.db2.gz MAVVACAGXMPJQY-AWEZNQCLSA-N 2 1 328.464 1.510 20 0 EDADMP C[C@H]1C[N@H+](Cc2c[nH]c3nccnc23)CCN1C1CC[NH+](C)CC1 ZINC000368108974 446646423 /nfs/dbraw/zinc/64/64/23/446646423.db2.gz MAVVACAGXMPJQY-AWEZNQCLSA-N 2 1 328.464 1.510 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N[C@@H]2CC23CC[NH2+]CC3)c2ccccc2)CC1 ZINC000368139547 446663434 /nfs/dbraw/zinc/66/34/34/446663434.db2.gz IEDFGWDRMLWENB-QZTJIDSGSA-N 2 1 342.487 1.233 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000371090144 446621195 /nfs/dbraw/zinc/62/11/95/446621195.db2.gz WKPQTGMCVZGJFU-FUHWJXTLSA-N 2 1 346.475 1.583 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000371090144 446621201 /nfs/dbraw/zinc/62/12/01/446621201.db2.gz WKPQTGMCVZGJFU-FUHWJXTLSA-N 2 1 346.475 1.583 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000371090144 446621208 /nfs/dbraw/zinc/62/12/08/446621208.db2.gz WKPQTGMCVZGJFU-FUHWJXTLSA-N 2 1 346.475 1.583 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371090144 446621225 /nfs/dbraw/zinc/62/12/25/446621225.db2.gz WKPQTGMCVZGJFU-FUHWJXTLSA-N 2 1 346.475 1.583 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418632086 446623738 /nfs/dbraw/zinc/62/37/38/446623738.db2.gz YUOHAGVMZKCUMG-INIZCTEOSA-N 2 1 340.512 1.504 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[NH2+]C ZINC000418632671 446623940 /nfs/dbraw/zinc/62/39/40/446623940.db2.gz WCWJKDKHXYFERJ-DOTOQJQBSA-N 2 1 333.480 1.685 20 0 EDADMP CCOCCNC(=O)CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376736812 446686219 /nfs/dbraw/zinc/68/62/19/446686219.db2.gz NGKCNCVXEJTCQB-OAHLLOKOSA-N 2 1 334.464 1.552 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@H](C)O1 ZINC000423760774 446689072 /nfs/dbraw/zinc/68/90/72/446689072.db2.gz KMLZGGIMMVUYQB-QKLQHJQFSA-N 2 1 345.487 1.485 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@H](C)O1 ZINC000423760774 446689078 /nfs/dbraw/zinc/68/90/78/446689078.db2.gz KMLZGGIMMVUYQB-QKLQHJQFSA-N 2 1 345.487 1.485 20 0 EDADMP C[C@@H](CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000423766502 446694937 /nfs/dbraw/zinc/69/49/37/446694937.db2.gz WAOAMRNLVKRXFN-MWDXBVQZSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@@H](CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000423766502 446694941 /nfs/dbraw/zinc/69/49/41/446694941.db2.gz WAOAMRNLVKRXFN-MWDXBVQZSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000423817703 446707365 /nfs/dbraw/zinc/70/73/65/446707365.db2.gz CKCIDLLVWDWRFX-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000423835524 446722677 /nfs/dbraw/zinc/72/26/77/446722677.db2.gz VRDMVRPNTWQTNK-OFQRWUPVSA-N 2 1 325.840 1.565 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000423835524 446722684 /nfs/dbraw/zinc/72/26/84/446722684.db2.gz VRDMVRPNTWQTNK-OFQRWUPVSA-N 2 1 325.840 1.565 20 0 EDADMP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000371271400 446730461 /nfs/dbraw/zinc/73/04/61/446730461.db2.gz QIVWNDVUZCQKFK-FHWLQOOXSA-N 2 1 343.471 1.630 20 0 EDADMP COC(=O)c1ccnc(N2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)CC2)c1 ZINC000371327129 446776568 /nfs/dbraw/zinc/77/65/68/446776568.db2.gz UNAUFLMNGSDTDC-KRWDZBQOSA-N 2 1 346.475 1.865 20 0 EDADMP COC(=O)c1ccnc(N2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)CC2)c1 ZINC000371327129 446776574 /nfs/dbraw/zinc/77/65/74/446776574.db2.gz UNAUFLMNGSDTDC-KRWDZBQOSA-N 2 1 346.475 1.865 20 0 EDADMP COC(=O)c1ccnc(N2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000371327129 446776583 /nfs/dbraw/zinc/77/65/83/446776583.db2.gz UNAUFLMNGSDTDC-KRWDZBQOSA-N 2 1 346.475 1.865 20 0 EDADMP COC(=O)c1ccnc(N2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000371327129 446776591 /nfs/dbraw/zinc/77/65/91/446776591.db2.gz UNAUFLMNGSDTDC-KRWDZBQOSA-N 2 1 346.475 1.865 20 0 EDADMP CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C1 ZINC000368314778 446781185 /nfs/dbraw/zinc/78/11/85/446781185.db2.gz FWQNDTKPCMPDOK-OAHLLOKOSA-N 2 1 333.480 1.183 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C1 ZINC000368314778 446781187 /nfs/dbraw/zinc/78/11/87/446781187.db2.gz FWQNDTKPCMPDOK-OAHLLOKOSA-N 2 1 333.480 1.183 20 0 EDADMP CC[NH+]1CC[C@H](CNC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C1 ZINC000368314778 446781190 /nfs/dbraw/zinc/78/11/90/446781190.db2.gz FWQNDTKPCMPDOK-OAHLLOKOSA-N 2 1 333.480 1.183 20 0 EDADMP CC[NH+]1CC[C@H](CNC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C1 ZINC000368314778 446781193 /nfs/dbraw/zinc/78/11/93/446781193.db2.gz FWQNDTKPCMPDOK-OAHLLOKOSA-N 2 1 333.480 1.183 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000368318513 446782541 /nfs/dbraw/zinc/78/25/41/446782541.db2.gz MJLCRQHHZSJIMU-SOLBZPMBSA-N 2 1 337.508 1.819 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH2+]C2CC2)[C@@H]1c1ccccc1 ZINC000423934626 446784943 /nfs/dbraw/zinc/78/49/43/446784943.db2.gz WBOBSGUQRZLFEO-WBAXXEDZSA-N 2 1 331.460 1.705 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH2+]C2CC2)[C@@H]1c1ccccc1 ZINC000423934626 446784949 /nfs/dbraw/zinc/78/49/49/446784949.db2.gz WBOBSGUQRZLFEO-WBAXXEDZSA-N 2 1 331.460 1.705 20 0 EDADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000454226959 446814397 /nfs/dbraw/zinc/81/43/97/446814397.db2.gz ZHSNGFKFRQKXTG-HNNXBMFYSA-N 2 1 334.464 1.268 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000424019575 446826661 /nfs/dbraw/zinc/82/66/61/446826661.db2.gz KIJJREYNWYCQJJ-ROUUACIJSA-N 2 1 331.460 1.475 20 0 EDADMP [NH3+]C1(CNC(=O)[C@H]2CCCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000424038062 446828654 /nfs/dbraw/zinc/82/86/54/446828654.db2.gz LDPJXVHGIRRWJR-QGZVFWFLSA-N 2 1 330.476 1.238 20 0 EDADMP [NH3+]C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000423971745 446802397 /nfs/dbraw/zinc/80/23/97/446802397.db2.gz YXIUUPSDFUPJEW-MSOLQXFVSA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000423971745 446802400 /nfs/dbraw/zinc/80/24/00/446802400.db2.gz YXIUUPSDFUPJEW-MSOLQXFVSA-N 2 1 331.460 1.521 20 0 EDADMP CCCCN1CCOC[C@H]1C(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000376936199 446807675 /nfs/dbraw/zinc/80/76/75/446807675.db2.gz XWDIETMDXRNSJH-KRWDZBQOSA-N 2 1 334.464 1.645 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424140036 446859978 /nfs/dbraw/zinc/85/99/78/446859978.db2.gz AWVURSUHGMVUBU-KFWWJZLASA-N 2 1 334.468 1.053 20 0 EDADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000368440309 446865072 /nfs/dbraw/zinc/86/50/72/446865072.db2.gz BWKMUOOUUCJVJO-WZGPROSRSA-N 2 1 337.508 1.724 20 0 EDADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000368440307 446865384 /nfs/dbraw/zinc/86/53/84/446865384.db2.gz BWKMUOOUUCJVJO-NXWXRZEISA-N 2 1 337.508 1.724 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000419048331 446883963 /nfs/dbraw/zinc/88/39/63/446883963.db2.gz VLGBHTXJECMMOP-INMHGKMJSA-N 2 1 346.475 1.052 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1C ZINC000442610684 446914593 /nfs/dbraw/zinc/91/45/93/446914593.db2.gz PWJFECPNSILNND-CVEARBPZSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000442610684 446914599 /nfs/dbraw/zinc/91/45/99/446914599.db2.gz PWJFECPNSILNND-CVEARBPZSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000442610684 446914606 /nfs/dbraw/zinc/91/46/06/446914606.db2.gz PWJFECPNSILNND-CVEARBPZSA-N 2 1 339.528 1.137 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000454532730 446903570 /nfs/dbraw/zinc/90/35/70/446903570.db2.gz YYDVUVZVIBBRNG-PMPSAXMXSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420963773 446934740 /nfs/dbraw/zinc/93/47/40/446934740.db2.gz MRNLMOVSGOIZGW-VQIMIIECSA-N 2 1 334.460 1.491 20 0 EDADMP C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420963773 446934748 /nfs/dbraw/zinc/93/47/48/446934748.db2.gz MRNLMOVSGOIZGW-VQIMIIECSA-N 2 1 334.460 1.491 20 0 EDADMP C[NH2+]CCNC(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000419198170 447006576 /nfs/dbraw/zinc/00/65/76/447006576.db2.gz YQOIIYVKDJUXOJ-OAHLLOKOSA-N 2 1 346.475 1.013 20 0 EDADMP C[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000419222463 447016956 /nfs/dbraw/zinc/01/69/56/447016956.db2.gz XCWUDHVJLZWRHO-OAHLLOKOSA-N 2 1 346.475 1.013 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000419158544 446975216 /nfs/dbraw/zinc/97/52/16/446975216.db2.gz WMASRCKTLGCLRI-CVEARBPZSA-N 2 1 340.512 1.104 20 0 EDADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419161488 446977457 /nfs/dbraw/zinc/97/74/57/446977457.db2.gz JDUSZVHMEVGMEE-DOTOQJQBSA-N 2 1 348.491 1.113 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000419179612 446993525 /nfs/dbraw/zinc/99/35/25/446993525.db2.gz IQOYZIJAWZLBCR-ZBFHGGJFSA-N 2 1 338.496 1.014 20 0 EDADMP CCOC[C@@H]([NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000375720535 447000413 /nfs/dbraw/zinc/00/04/13/447000413.db2.gz AOCIGNSBXPCFGC-IAGOWNOFSA-N 2 1 343.512 1.110 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443059588 447001571 /nfs/dbraw/zinc/00/15/71/447001571.db2.gz NENVVAGZVAURQU-GJZGRUSLSA-N 2 1 349.475 1.769 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000443060125 447002201 /nfs/dbraw/zinc/00/22/01/447002201.db2.gz OESXMAIPDKLLIC-LJQANCHMSA-N 2 1 344.503 1.392 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@]3(C)CCO[C@H]3C3CC3)cn2)CC1 ZINC000372346917 447044271 /nfs/dbraw/zinc/04/42/71/447044271.db2.gz JMCZOAFNMAZXED-WMZOPIPTSA-N 2 1 331.464 1.276 20 0 EDADMP C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000372464514 447066124 /nfs/dbraw/zinc/06/61/24/447066124.db2.gz QOEXJELXTYZTPB-RUEZSYAVSA-N 2 1 337.508 1.756 20 0 EDADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000425330563 447119809 /nfs/dbraw/zinc/11/98/09/447119809.db2.gz AXMVSLAFGMQCSQ-XDQVBPFNSA-N 2 1 339.484 1.943 20 0 EDADMP C[N@H+]([C@H]1CCN(C(C)(C)C)C1=O)C1CCN(CCn2cccn2)CC1 ZINC000425400366 447143755 /nfs/dbraw/zinc/14/37/55/447143755.db2.gz XLZUCBWRWNXZSW-KRWDZBQOSA-N 2 1 347.507 1.679 20 0 EDADMP C[N@@H+]([C@H]1CCN(C(C)(C)C)C1=O)C1CCN(CCn2cccn2)CC1 ZINC000425400366 447143759 /nfs/dbraw/zinc/14/37/59/447143759.db2.gz XLZUCBWRWNXZSW-KRWDZBQOSA-N 2 1 347.507 1.679 20 0 EDADMP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000419419468 447162661 /nfs/dbraw/zinc/16/26/61/447162661.db2.gz ZAJRSAHSIMGZFD-ZBFHGGJFSA-N 2 1 338.496 1.014 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000368815024 447128477 /nfs/dbraw/zinc/12/84/77/447128477.db2.gz YHEKPQYZJGRHMS-ZMMAXQRCSA-N 2 1 334.508 1.003 20 0 EDADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419446428 447181369 /nfs/dbraw/zinc/18/13/69/447181369.db2.gz VJAYUISCWBCHMX-HOTGVXAUSA-N 2 1 348.491 1.345 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000419454019 447188463 /nfs/dbraw/zinc/18/84/63/447188463.db2.gz LEUOMUOQWZQSHY-YYIAUSFCSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000419454019 447188469 /nfs/dbraw/zinc/18/84/69/447188469.db2.gz LEUOMUOQWZQSHY-YYIAUSFCSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000419454019 447188474 /nfs/dbraw/zinc/18/84/74/447188474.db2.gz LEUOMUOQWZQSHY-YYIAUSFCSA-N 2 1 340.512 1.346 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000455623595 447188544 /nfs/dbraw/zinc/18/85/44/447188544.db2.gz VVOZXWIOXHPSMF-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000455623595 447188550 /nfs/dbraw/zinc/18/85/50/447188550.db2.gz VVOZXWIOXHPSMF-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000455623595 447188554 /nfs/dbraw/zinc/18/85/54/447188554.db2.gz VVOZXWIOXHPSMF-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000425530437 447214964 /nfs/dbraw/zinc/21/49/64/447214964.db2.gz AUKFPVJWUFVQTF-OAHLLOKOSA-N 2 1 328.501 1.467 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)C1 ZINC000372712461 447239450 /nfs/dbraw/zinc/23/94/50/447239450.db2.gz GCDZCBWNHWGTGK-LJQANCHMSA-N 2 1 343.471 1.892 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)C1 ZINC000372712461 447239464 /nfs/dbraw/zinc/23/94/64/447239464.db2.gz GCDZCBWNHWGTGK-LJQANCHMSA-N 2 1 343.471 1.892 20 0 EDADMP CCn1cnc2c1ncnc2N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377664670 447280942 /nfs/dbraw/zinc/28/09/42/447280942.db2.gz DITWLFGKAMAXIE-HNNXBMFYSA-N 2 1 343.479 1.451 20 0 EDADMP CCn1cnc2c1ncnc2N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377664670 447280947 /nfs/dbraw/zinc/28/09/47/447280947.db2.gz DITWLFGKAMAXIE-HNNXBMFYSA-N 2 1 343.479 1.451 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458724734 447462696 /nfs/dbraw/zinc/46/26/96/447462696.db2.gz BOCFCKNJIOZFGP-JKSUJKDBSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458724734 447462699 /nfs/dbraw/zinc/46/26/99/447462699.db2.gz BOCFCKNJIOZFGP-JKSUJKDBSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458724734 447462703 /nfs/dbraw/zinc/46/27/03/447462703.db2.gz BOCFCKNJIOZFGP-JKSUJKDBSA-N 2 1 340.512 1.253 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000458833224 447486300 /nfs/dbraw/zinc/48/63/00/447486300.db2.gz AFPJRINAKFOJIO-UHFFFAOYSA-N 2 1 342.528 1.718 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000495322585 447488019 /nfs/dbraw/zinc/48/80/19/447488019.db2.gz SGAKURWVSAWWNL-VBQJREDUSA-N 2 1 327.469 1.336 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000495322585 447488023 /nfs/dbraw/zinc/48/80/23/447488023.db2.gz SGAKURWVSAWWNL-VBQJREDUSA-N 2 1 327.469 1.336 20 0 EDADMP COC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000389885367 447489227 /nfs/dbraw/zinc/48/92/27/447489227.db2.gz RAPXKNDMJDPCBP-NVXWUHKLSA-N 2 1 331.460 1.392 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495362986 447493454 /nfs/dbraw/zinc/49/34/54/447493454.db2.gz SXBYFGDDMAVZOD-KRWDZBQOSA-N 2 1 327.469 1.290 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495362986 447493456 /nfs/dbraw/zinc/49/34/56/447493456.db2.gz SXBYFGDDMAVZOD-KRWDZBQOSA-N 2 1 327.469 1.290 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@@H]3COCCO3)CC2)C[C@H](C)O1 ZINC000450477409 447502800 /nfs/dbraw/zinc/50/28/00/447502800.db2.gz WOCCSPIYGKCURJ-SOLBZPMBSA-N 2 1 326.481 1.613 20 0 EDADMP O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390869669 447505157 /nfs/dbraw/zinc/50/51/57/447505157.db2.gz FSJSTOBCHSNUCV-HKUYNNGSSA-N 2 1 345.487 1.783 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390879765 447505189 /nfs/dbraw/zinc/50/51/89/447505189.db2.gz USYMPXNGLKOTCK-NXHRZFHOSA-N 2 1 333.476 1.767 20 0 EDADMP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390894617 447505259 /nfs/dbraw/zinc/50/52/59/447505259.db2.gz MXAJWBVIQLVONS-RBUKOAKNSA-N 2 1 345.487 1.926 20 0 EDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC[NH2+]CC1 ZINC000390926559 447505834 /nfs/dbraw/zinc/50/58/34/447505834.db2.gz JFDUJBRBEZBSLR-SFHVURJKSA-N 2 1 331.460 1.393 20 0 EDADMP O=C(CC[NH2+]C1CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390930254 447506631 /nfs/dbraw/zinc/50/66/31/447506631.db2.gz HYLYSHBOOCRIOK-GOSISDBHSA-N 2 1 331.460 1.536 20 0 EDADMP COc1ccc(-c2noc(CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)n2)nn1 ZINC000450503491 447509885 /nfs/dbraw/zinc/50/98/85/447509885.db2.gz RUDAKBIIJJPBDW-OCCSQVGLSA-N 2 1 344.419 1.451 20 0 EDADMP Cc1ccc(-c2noc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000392244440 447522408 /nfs/dbraw/zinc/52/24/08/447522408.db2.gz PTXCUGCHKWGWGV-INIZCTEOSA-N 2 1 327.432 1.525 20 0 EDADMP Cc1ccc(-c2noc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000392244440 447522414 /nfs/dbraw/zinc/52/24/14/447522414.db2.gz PTXCUGCHKWGWGV-INIZCTEOSA-N 2 1 327.432 1.525 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)[C@H](C)c3ccccc3)C2)CC1 ZINC000450388770 447474166 /nfs/dbraw/zinc/47/41/66/447474166.db2.gz JNTDBYXWVLVKOO-RLLQIKCJSA-N 2 1 331.504 1.863 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccco1 ZINC000457440772 447581596 /nfs/dbraw/zinc/58/15/96/447581596.db2.gz LKKJGSIUZWXRKN-QLFBSQMISA-N 2 1 336.436 1.045 20 0 EDADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1)CC(C)C ZINC000420015765 447547836 /nfs/dbraw/zinc/54/78/36/447547836.db2.gz RFAPOOZKDSUSHI-OAHLLOKOSA-N 2 1 340.512 1.056 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)C1 ZINC000427264795 447571744 /nfs/dbraw/zinc/57/17/44/447571744.db2.gz IZMHUVXNOFWEMB-CVEARBPZSA-N 2 1 344.459 1.322 20 0 EDADMP CCn1nncc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000459346852 447642989 /nfs/dbraw/zinc/64/29/89/447642989.db2.gz QOVZTCVZTZTOSZ-UHFFFAOYSA-N 2 1 348.539 1.926 20 0 EDADMP CCn1nncc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000459346852 447642995 /nfs/dbraw/zinc/64/29/95/447642995.db2.gz QOVZTCVZTZTOSZ-UHFFFAOYSA-N 2 1 348.539 1.926 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCN3C(=O)N[C@H](C)C3=O)C2)[nH+]1 ZINC000459351819 447644013 /nfs/dbraw/zinc/64/40/13/447644013.db2.gz ZQFNKOPORNVFPX-KGLIPLIRSA-N 2 1 331.420 1.064 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCN3C(=O)N[C@H](C)C3=O)C2)[nH+]1 ZINC000459351819 447644018 /nfs/dbraw/zinc/64/40/18/447644018.db2.gz ZQFNKOPORNVFPX-KGLIPLIRSA-N 2 1 331.420 1.064 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@H+]1CCOC ZINC000459261037 447624975 /nfs/dbraw/zinc/62/49/75/447624975.db2.gz LAOQCPIZZRQIMB-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH+]1CCOC ZINC000459261037 447624980 /nfs/dbraw/zinc/62/49/80/447624980.db2.gz LAOQCPIZZRQIMB-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1CCOC ZINC000459261037 447624984 /nfs/dbraw/zinc/62/49/84/447624984.db2.gz LAOQCPIZZRQIMB-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)[C@H]1SC ZINC000459412757 447656352 /nfs/dbraw/zinc/65/63/52/447656352.db2.gz RSCOMWVLIPISPC-GVDBMIGSSA-N 2 1 329.554 1.759 20 0 EDADMP COCC[NH2+]CCNc1cc[nH+]c(N[C@@H]2CCCO[C@H]2C(C)C)n1 ZINC000420220886 447676240 /nfs/dbraw/zinc/67/62/40/447676240.db2.gz WQJVZKFPXDIPNQ-ZBFHGGJFSA-N 2 1 337.468 1.740 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1OC ZINC000422632310 447679029 /nfs/dbraw/zinc/67/90/29/447679029.db2.gz GOTVYFMAVHNICA-LZWOXQAQSA-N 2 1 349.475 1.625 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1OC ZINC000422632310 447679034 /nfs/dbraw/zinc/67/90/34/447679034.db2.gz GOTVYFMAVHNICA-LZWOXQAQSA-N 2 1 349.475 1.625 20 0 EDADMP C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000422711346 447724251 /nfs/dbraw/zinc/72/42/51/447724251.db2.gz FVJMFTXYLWYSMJ-KBPBESRZSA-N 2 1 339.505 1.851 20 0 EDADMP CC[C@@H](CNC(=O)N1CC[C@H]([NH2+]C)C1)[N@H+]1CCc2ccccc2C1 ZINC000417020090 447730839 /nfs/dbraw/zinc/73/08/39/447730839.db2.gz RPIQUKROHQWWBU-ROUUACIJSA-N 2 1 330.476 1.827 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422738995 447734547 /nfs/dbraw/zinc/73/45/47/447734547.db2.gz KPWVZSJPZLFBKR-QRVBRYPASA-N 2 1 344.503 1.657 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2COCCN2)[C@@H](C)C1 ZINC000422745101 447736105 /nfs/dbraw/zinc/73/61/05/447736105.db2.gz LOZGPWVVFIEQGI-MHORFTMASA-N 2 1 327.513 1.480 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000496192618 447740417 /nfs/dbraw/zinc/74/04/17/447740417.db2.gz FURGUEONGDSXMH-FMKPAKJESA-N 2 1 341.496 1.819 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000496192618 447740420 /nfs/dbraw/zinc/74/04/20/447740420.db2.gz FURGUEONGDSXMH-FMKPAKJESA-N 2 1 341.496 1.819 20 0 EDADMP CC(C)(C)NC(=O)CN1CCC(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422839971 447765714 /nfs/dbraw/zinc/76/57/14/447765714.db2.gz RPZSBIWTTOMIOL-SJORKVTESA-N 2 1 338.540 1.720 20 0 EDADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)NC(=O)NCc1ccccc1 ZINC000452082881 447813160 /nfs/dbraw/zinc/81/31/60/447813160.db2.gz GISQZHSNOFYYNM-UHFFFAOYSA-N 2 1 346.475 1.867 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422931587 447775445 /nfs/dbraw/zinc/77/54/45/447775445.db2.gz XWUFLQGGBCFEAF-HOTGVXAUSA-N 2 1 325.478 1.687 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000430553866 447777297 /nfs/dbraw/zinc/77/72/97/447777297.db2.gz PQWWPUKHCUAGPT-ZBFHGGJFSA-N 2 1 349.475 1.721 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000430553866 447777301 /nfs/dbraw/zinc/77/73/01/447777301.db2.gz PQWWPUKHCUAGPT-ZBFHGGJFSA-N 2 1 349.475 1.721 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000496429868 447779343 /nfs/dbraw/zinc/77/93/43/447779343.db2.gz AKXKUDASBJEIFE-CYBMUJFWSA-N 2 1 327.473 1.499 20 0 EDADMP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000487525492 447834253 /nfs/dbraw/zinc/83/42/53/447834253.db2.gz ZWMWJAMDDHHFEH-YESZJQIVSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000487525492 447834255 /nfs/dbraw/zinc/83/42/55/447834255.db2.gz ZWMWJAMDDHHFEH-YESZJQIVSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000487671939 447835555 /nfs/dbraw/zinc/83/55/55/447835555.db2.gz ZOYYDDCGLSSOEO-AITUJVMLSA-N 2 1 343.471 1.296 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487692859 447836383 /nfs/dbraw/zinc/83/63/83/447836383.db2.gz SFZTVUTUTPSOPE-JKSUJKDBSA-N 2 1 326.485 1.004 20 0 EDADMP C[C@H](C[NH2+]Cc1c(Br)cnn1C)CN1CC[NH+](C)CC1 ZINC000487327343 447829506 /nfs/dbraw/zinc/82/95/06/447829506.db2.gz YZFBPWSNYSBIQY-GFCCVEGCSA-N 2 1 344.301 1.156 20 0 EDADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496745793 447876437 /nfs/dbraw/zinc/87/64/37/447876437.db2.gz OUOBQMSMCQOTMD-QGZVFWFLSA-N 2 1 335.448 1.300 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000524721285 447943912 /nfs/dbraw/zinc/94/39/12/447943912.db2.gz JFACTHKSVZQTLL-SFHVURJKSA-N 2 1 344.503 1.262 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000524721285 447943918 /nfs/dbraw/zinc/94/39/18/447943918.db2.gz JFACTHKSVZQTLL-SFHVURJKSA-N 2 1 344.503 1.262 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[NH+](C)C1CC1 ZINC000524351478 447926451 /nfs/dbraw/zinc/92/64/51/447926451.db2.gz DBRNRPZHNRMAAW-RDJZCZTQSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1)[N@H+](C)C1CC1 ZINC000524351478 447926455 /nfs/dbraw/zinc/92/64/55/447926455.db2.gz DBRNRPZHNRMAAW-RDJZCZTQSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1)[N@@H+](C)C1CC1 ZINC000524351478 447926460 /nfs/dbraw/zinc/92/64/60/447926460.db2.gz DBRNRPZHNRMAAW-RDJZCZTQSA-N 2 1 330.476 1.893 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)C2CCOCC2)CC1 ZINC000530627121 447927787 /nfs/dbraw/zinc/92/77/87/447927787.db2.gz GQRFCHMSVCYMLO-UHFFFAOYSA-N 2 1 345.487 1.750 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)C2CCOCC2)CC1 ZINC000530627121 447927794 /nfs/dbraw/zinc/92/77/94/447927794.db2.gz GQRFCHMSVCYMLO-UHFFFAOYSA-N 2 1 345.487 1.750 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000531064902 448013244 /nfs/dbraw/zinc/01/32/44/448013244.db2.gz SCOZGFKLAGUHLK-AZUAARDMSA-N 2 1 345.487 1.566 20 0 EDADMP CC[NH+]1CCC(N2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000570343122 447992281 /nfs/dbraw/zinc/99/22/81/447992281.db2.gz HRUVQMMRSLRTNK-KRWDZBQOSA-N 2 1 336.524 1.347 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000525369746 447997489 /nfs/dbraw/zinc/99/74/89/447997489.db2.gz FZIFGELUAAZGSV-NVXWUHKLSA-N 2 1 325.497 1.626 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000570224467 447968887 /nfs/dbraw/zinc/96/88/87/447968887.db2.gz VDADWEAXMGYCJU-QAPCUYQASA-N 2 1 345.491 1.534 20 0 EDADMP [NH3+]C[C@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000570428571 448012850 /nfs/dbraw/zinc/01/28/50/448012850.db2.gz CCSINDIKAQBVRU-RTBURBONSA-N 2 1 344.503 1.931 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000571059699 448103060 /nfs/dbraw/zinc/10/30/60/448103060.db2.gz RRFJKDRNRFJZRP-DLBZAZTESA-N 2 1 338.496 1.128 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)[NH+](C)C1 ZINC000502627043 448103471 /nfs/dbraw/zinc/10/34/71/448103471.db2.gz JYPUEHWHMBYMMP-JYJNAYRXSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[N@H+](C)C1 ZINC000502627043 448103475 /nfs/dbraw/zinc/10/34/75/448103475.db2.gz JYPUEHWHMBYMMP-JYJNAYRXSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[N@@H+](C)C1 ZINC000502627043 448103481 /nfs/dbraw/zinc/10/34/81/448103481.db2.gz JYPUEHWHMBYMMP-JYJNAYRXSA-N 2 1 340.512 1.467 20 0 EDADMP CN(C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(=O)OC(C)(C)C ZINC000497007112 448115962 /nfs/dbraw/zinc/11/59/62/448115962.db2.gz FNRKDPXIBDQQSA-ZFWWWQNUSA-N 2 1 327.469 1.288 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3CCOCC3)CC2)CC1 ZINC000571296497 448132279 /nfs/dbraw/zinc/13/22/79/448132279.db2.gz RARLNZXXEQQRSJ-UHFFFAOYSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000576758404 448132824 /nfs/dbraw/zinc/13/28/24/448132824.db2.gz PBALQPVUKXVOJW-IEBWSBKVSA-N 2 1 344.503 1.846 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576836672 448152968 /nfs/dbraw/zinc/15/29/68/448152968.db2.gz JXNOIZJQBKQJDC-GOSISDBHSA-N 2 1 331.460 1.347 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000514789087 448204212 /nfs/dbraw/zinc/20/42/12/448204212.db2.gz VGDLFQOLFMFJFN-KSZLIROESA-N 2 1 342.524 1.891 20 0 EDADMP CCOc1ccnc(N2CCC[N@@H+](CCC3CC[NH2+]CC3)CC2)n1 ZINC000571810221 448210522 /nfs/dbraw/zinc/21/05/22/448210522.db2.gz BDCAKABXNGJSHR-UHFFFAOYSA-N 2 1 333.480 1.777 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532191506 448213901 /nfs/dbraw/zinc/21/39/01/448213901.db2.gz ILWRGHQRSHJOON-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP Cc1ccc(NC(=O)CC[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)nc1 ZINC000514856574 448215374 /nfs/dbraw/zinc/21/53/74/448215374.db2.gz OIIHOCMLLSHKJU-UHFFFAOYSA-N 2 1 333.480 1.334 20 0 EDADMP C[C@H]1CN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1CC(C)(C)O ZINC000571863399 448219313 /nfs/dbraw/zinc/21/93/13/448219313.db2.gz KMXYXGDOKSVKCP-AWEZNQCLSA-N 2 1 346.475 1.641 20 0 EDADMP COc1c(N)ncnc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000582677836 448310312 /nfs/dbraw/zinc/31/03/12/448310312.db2.gz WOGHWPNKOJONBI-OAHLLOKOSA-N 2 1 343.431 1.636 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000591309872 448317688 /nfs/dbraw/zinc/31/76/88/448317688.db2.gz KLUGKCDDADGFSJ-CYBMUJFWSA-N 2 1 334.420 1.246 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)[C@H](C)c1ccccc1)C2 ZINC000572120775 448294095 /nfs/dbraw/zinc/29/40/95/448294095.db2.gz AFDCXRWHMBHJSA-LIVBEALHSA-N 2 1 343.471 1.795 20 0 EDADMP C[NH+](C)[C@H]1CCc2cc(NC[C@@H](O)CN3CC[NH+](C)CC3)ccc21 ZINC000582901199 448372741 /nfs/dbraw/zinc/37/27/41/448372741.db2.gz QGEBCNFRTFMUCK-MJGOQNOKSA-N 2 1 332.492 1.256 20 0 EDADMP c1cc(-c2noc([C@H]3CC34C[NH2+]C4)n2)ccc1C[NH+]1CCOCC1 ZINC000582772824 448335595 /nfs/dbraw/zinc/33/55/95/448335595.db2.gz GXLDJJVNSINMCX-OAHLLOKOSA-N 2 1 326.400 1.646 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)COc1ccccc1F)C[NH+]1CCCCC1 ZINC000572483001 448389940 /nfs/dbraw/zinc/38/99/40/448389940.db2.gz JVWMIYBCNZPGGT-CABCVRRESA-N 2 1 326.412 1.002 20 0 EDADMP O=S(=O)(CC[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000516065819 448375471 /nfs/dbraw/zinc/37/54/71/448375471.db2.gz USCKVRRSHWLGDE-MRXNPFEDSA-N 2 1 340.489 1.287 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516488882 448428098 /nfs/dbraw/zinc/42/80/98/448428098.db2.gz OHRXLQQMXGBCQB-OALUTQOASA-N 2 1 345.487 1.424 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516488882 448428104 /nfs/dbraw/zinc/42/81/04/448428104.db2.gz OHRXLQQMXGBCQB-OALUTQOASA-N 2 1 345.487 1.424 20 0 EDADMP CCCN(C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000516634635 448453092 /nfs/dbraw/zinc/45/30/92/448453092.db2.gz YXBZCDAESFBKDI-BRWVUGGUSA-N 2 1 338.496 1.413 20 0 EDADMP [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000572738249 448454358 /nfs/dbraw/zinc/45/43/58/448454358.db2.gz PXSFRZPMTNEOMR-GVDBMIGSSA-N 2 1 338.496 1.400 20 0 EDADMP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000516769271 448471658 /nfs/dbraw/zinc/47/16/58/448471658.db2.gz DKUGQRSAEGUVHN-GOSISDBHSA-N 2 1 330.476 1.846 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000534717506 448467725 /nfs/dbraw/zinc/46/77/25/448467725.db2.gz SEFCGTIAOCFMBR-MRXNPFEDSA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000566560772 448508364 /nfs/dbraw/zinc/50/83/64/448508364.db2.gz IPRDALRUNSBZRM-KSZLIROESA-N 2 1 337.508 1.994 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1CC[NH2+]CC1 ZINC000584459283 448533922 /nfs/dbraw/zinc/53/39/22/448533922.db2.gz UDGHXEULPIMUPW-QAPCUYQASA-N 2 1 330.476 1.806 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCO[C@H]3C3CC3)CC2)CC1 ZINC000584538811 448565048 /nfs/dbraw/zinc/56/50/48/448565048.db2.gz BPWRKHPHQDOMAP-OALUTQOASA-N 2 1 349.519 1.866 20 0 EDADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)CC[C@H]21 ZINC000573232820 448576650 /nfs/dbraw/zinc/57/66/50/448576650.db2.gz YYCKUWYDBOWMHH-RHSMWYFYSA-N 2 1 332.448 1.827 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)CC[C@H]21 ZINC000573232820 448576657 /nfs/dbraw/zinc/57/66/57/448576657.db2.gz YYCKUWYDBOWMHH-RHSMWYFYSA-N 2 1 332.448 1.827 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000566889719 448576828 /nfs/dbraw/zinc/57/68/28/448576828.db2.gz VDSPJXCHVVXXJX-HXUWFJFHSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584467707 448538272 /nfs/dbraw/zinc/53/82/72/448538272.db2.gz CAIXYUVBIHVNKG-BMGDILEWSA-N 2 1 331.460 1.520 20 0 EDADMP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000584471150 448539550 /nfs/dbraw/zinc/53/95/50/448539550.db2.gz ZVZRTPIOQUMFSI-GUYCJALGSA-N 2 1 325.416 1.185 20 0 EDADMP Cc1[nH]nc2ncc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc12 ZINC000584485474 448545381 /nfs/dbraw/zinc/54/53/81/448545381.db2.gz CBXFNFGWAQZPAL-RDTXWAMCSA-N 2 1 342.491 1.724 20 0 EDADMP Cc1[nH]nc2ncc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc12 ZINC000584485474 448545384 /nfs/dbraw/zinc/54/53/84/448545384.db2.gz CBXFNFGWAQZPAL-RDTXWAMCSA-N 2 1 342.491 1.724 20 0 EDADMP O=C(NCC1CC[NH2+]CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000584833725 448648083 /nfs/dbraw/zinc/64/80/83/448648083.db2.gz MUEGDEHLEASKET-RBUKOAKNSA-N 2 1 342.487 1.902 20 0 EDADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H](C)C1 ZINC000567290143 448658772 /nfs/dbraw/zinc/65/87/72/448658772.db2.gz XDXXDAAUMQTHBV-ZOBUZTSGSA-N 2 1 333.480 1.247 20 0 EDADMP C[NH+]1CCC(C)(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000540964040 448660016 /nfs/dbraw/zinc/66/00/16/448660016.db2.gz QMOUSDFIDFUFSU-HXUWFJFHSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@H](OC[C@H]1CCCO1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000519048545 448735120 /nfs/dbraw/zinc/73/51/20/448735120.db2.gz NJYDIFPQZAMWPP-LSDHHAIUSA-N 2 1 348.447 1.356 20 0 EDADMP COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000568051072 448807452 /nfs/dbraw/zinc/80/74/52/448807452.db2.gz VRLKJOQFRDAXBU-YJBOKZPZSA-N 2 1 345.487 1.695 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000579340417 448770061 /nfs/dbraw/zinc/77/00/61/448770061.db2.gz IZMYYRSFQBQOQK-CVEARBPZSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000579340417 448770065 /nfs/dbraw/zinc/77/00/65/448770065.db2.gz IZMYYRSFQBQOQK-CVEARBPZSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000579340417 448770069 /nfs/dbraw/zinc/77/00/69/448770069.db2.gz IZMYYRSFQBQOQK-CVEARBPZSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000568098824 448816170 /nfs/dbraw/zinc/81/61/70/448816170.db2.gz UZFKIWSPTZTUDS-KRWDZBQOSA-N 2 1 337.489 1.234 20 0 EDADMP CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000568098824 448816175 /nfs/dbraw/zinc/81/61/75/448816175.db2.gz UZFKIWSPTZTUDS-KRWDZBQOSA-N 2 1 337.489 1.234 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529353172 448837458 /nfs/dbraw/zinc/83/74/58/448837458.db2.gz PLVDHVFLMPZKOQ-HOCLYGCPSA-N 2 1 336.480 1.166 20 0 EDADMP CC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)[C@H](C)C1 ZINC000579626914 448840154 /nfs/dbraw/zinc/84/01/54/448840154.db2.gz KYUIIMDOKBCCOO-AEFFLSMTSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)[C@H](C)C1 ZINC000579626914 448840157 /nfs/dbraw/zinc/84/01/57/448840157.db2.gz KYUIIMDOKBCCOO-AEFFLSMTSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)[C@H](C)C1 ZINC000579626914 448840162 /nfs/dbraw/zinc/84/01/62/448840162.db2.gz KYUIIMDOKBCCOO-AEFFLSMTSA-N 2 1 330.476 1.846 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000579703148 448856859 /nfs/dbraw/zinc/85/68/59/448856859.db2.gz BKZMJSMIMKWGIT-CQSZACIVSA-N 2 1 332.448 1.239 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000547464594 448883146 /nfs/dbraw/zinc/88/31/46/448883146.db2.gz ZZARKQNZJONKAA-KRWDZBQOSA-N 2 1 330.476 1.846 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000547464594 448883150 /nfs/dbraw/zinc/88/31/50/448883150.db2.gz ZZARKQNZJONKAA-KRWDZBQOSA-N 2 1 330.476 1.846 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000547464594 448883154 /nfs/dbraw/zinc/88/31/54/448883154.db2.gz ZZARKQNZJONKAA-KRWDZBQOSA-N 2 1 330.476 1.846 20 0 EDADMP CC(C)(N)c1nocc1C(=O)NCc1nccn1CC(F)(F)F ZINC000521269822 448968956 /nfs/dbraw/zinc/96/89/56/448968956.db2.gz FTYPPLWURIPERX-UHFFFAOYSA-N 2 1 331.298 1.557 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)ccn1 ZINC000530021870 449027139 /nfs/dbraw/zinc/02/71/39/449027139.db2.gz AFRCLJXBTAYQOT-KRWDZBQOSA-N 2 1 346.475 1.769 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592959755 449083075 /nfs/dbraw/zinc/08/30/75/449083075.db2.gz PQMDMZSDEUAORY-NUEKZKHPSA-N 2 1 331.464 1.418 20 0 EDADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000530220006 449084765 /nfs/dbraw/zinc/08/47/65/449084765.db2.gz AXAOJYLSXPCOOA-QZTJIDSGSA-N 2 1 347.438 1.771 20 0 EDADMP COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)nn1 ZINC000595893136 449237156 /nfs/dbraw/zinc/23/71/56/449237156.db2.gz PYMRXEREEJTBHO-HNNXBMFYSA-N 2 1 341.415 1.157 20 0 EDADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1C ZINC000602010200 449273497 /nfs/dbraw/zinc/27/34/97/449273497.db2.gz DUTSPOHVIJBHBS-SJLPKXTDSA-N 2 1 349.475 1.669 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000617349184 449569565 /nfs/dbraw/zinc/56/95/65/449569565.db2.gz LKYHWXVWINUVOW-QZTJIDSGSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000617349184 449569574 /nfs/dbraw/zinc/56/95/74/449569574.db2.gz LKYHWXVWINUVOW-QZTJIDSGSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000617349184 449569581 /nfs/dbraw/zinc/56/95/81/449569581.db2.gz LKYHWXVWINUVOW-QZTJIDSGSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000617349184 449569587 /nfs/dbraw/zinc/56/95/87/449569587.db2.gz LKYHWXVWINUVOW-QZTJIDSGSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000607341997 449598824 /nfs/dbraw/zinc/59/88/24/449598824.db2.gz NCNFRNSOGABUJV-QFBILLFUSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000607341997 449598833 /nfs/dbraw/zinc/59/88/33/449598833.db2.gz NCNFRNSOGABUJV-QFBILLFUSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4nccnc4c3)C2)CC1 ZINC000602467752 449614311 /nfs/dbraw/zinc/61/43/11/449614311.db2.gz ZHSMZIZLAVTBQH-KRWDZBQOSA-N 2 1 325.460 1.842 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)CCN2C1=O ZINC000594737023 449658230 /nfs/dbraw/zinc/65/82/30/449658230.db2.gz VZOGCUZXWDHGOM-OCCSQVGLSA-N 2 1 343.349 1.372 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)CCN2C1=O ZINC000594737023 449658237 /nfs/dbraw/zinc/65/82/37/449658237.db2.gz VZOGCUZXWDHGOM-OCCSQVGLSA-N 2 1 343.349 1.372 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccnn1CC(F)(F)F ZINC000617507631 449658291 /nfs/dbraw/zinc/65/82/91/449658291.db2.gz DCOCSPSWVBKCJO-LBPRGKRZSA-N 2 1 349.401 1.447 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccnn1CC(F)(F)F ZINC000617507631 449658297 /nfs/dbraw/zinc/65/82/97/449658297.db2.gz DCOCSPSWVBKCJO-LBPRGKRZSA-N 2 1 349.401 1.447 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2ccc(=O)[nH]c21 ZINC000617507695 449660027 /nfs/dbraw/zinc/66/00/27/449660027.db2.gz GEHKMHDHOUFXMD-AWEZNQCLSA-N 2 1 344.459 1.942 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2ccc(=O)[nH]c21 ZINC000617507695 449660029 /nfs/dbraw/zinc/66/00/29/449660029.db2.gz GEHKMHDHOUFXMD-AWEZNQCLSA-N 2 1 344.459 1.942 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000601029517 449663441 /nfs/dbraw/zinc/66/34/41/449663441.db2.gz ZQJLELFZUZQJPJ-LSDHHAIUSA-N 2 1 341.496 1.449 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000607729200 449640360 /nfs/dbraw/zinc/64/03/60/449640360.db2.gz DSRAFMCSHZOGFW-GOSISDBHSA-N 2 1 347.507 1.968 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1noc2ccccc12 ZINC000617503909 449646444 /nfs/dbraw/zinc/64/64/44/449646444.db2.gz AFSUEJJTBYBULU-AWEZNQCLSA-N 2 1 332.448 1.759 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1noc2ccccc12 ZINC000617503909 449646447 /nfs/dbraw/zinc/64/64/47/449646447.db2.gz AFSUEJJTBYBULU-AWEZNQCLSA-N 2 1 332.448 1.759 20 0 EDADMP COC(=O)c1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)on1 ZINC000602589450 449690691 /nfs/dbraw/zinc/69/06/91/449690691.db2.gz SBDXZSXUQWDMAK-UHFFFAOYSA-N 2 1 345.403 1.627 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)[nH+]c1 ZINC000601255396 449778204 /nfs/dbraw/zinc/77/82/04/449778204.db2.gz DYIZNCQVZOSSEV-INIZCTEOSA-N 2 1 333.480 2.364 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)CC[N@H+]1C ZINC000617704012 449751939 /nfs/dbraw/zinc/75/19/39/449751939.db2.gz UCEVHVFAAIQSTO-SNRMKQJTSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC[NH+]1C ZINC000617704012 449751942 /nfs/dbraw/zinc/75/19/42/449751942.db2.gz UCEVHVFAAIQSTO-SNRMKQJTSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC[NH+]1C ZINC000617704012 449751944 /nfs/dbraw/zinc/75/19/44/449751944.db2.gz UCEVHVFAAIQSTO-SNRMKQJTSA-N 2 1 345.487 1.600 20 0 EDADMP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000597186390 449861105 /nfs/dbraw/zinc/86/11/05/449861105.db2.gz JLTAOQHPFNNTHO-XOYOTBSWSA-N 2 1 332.444 1.817 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)n[nH]1 ZINC000608692768 449911029 /nfs/dbraw/zinc/91/10/29/449911029.db2.gz SBGMHBJFNUPASW-INIZCTEOSA-N 2 1 336.484 1.276 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)[nH]n1 ZINC000608692768 449911034 /nfs/dbraw/zinc/91/10/34/449911034.db2.gz SBGMHBJFNUPASW-INIZCTEOSA-N 2 1 336.484 1.276 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)[nH]n1 ZINC000608692768 449911042 /nfs/dbraw/zinc/91/10/42/449911042.db2.gz SBGMHBJFNUPASW-INIZCTEOSA-N 2 1 336.484 1.276 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3COc4ccccc4O3)C2)CC1 ZINC000609337928 450013671 /nfs/dbraw/zinc/01/36/71/450013671.db2.gz GOFGPPHXBXMFEG-IRXDYDNUSA-N 2 1 331.460 1.538 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000623403768 450515122 /nfs/dbraw/zinc/51/51/22/450515122.db2.gz GZXHVKJRGKQZDB-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000623403768 450515124 /nfs/dbraw/zinc/51/51/24/450515124.db2.gz GZXHVKJRGKQZDB-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000623710068 450569151 /nfs/dbraw/zinc/56/91/51/450569151.db2.gz SNVWMKHZHFXANC-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000623710068 450569153 /nfs/dbraw/zinc/56/91/53/450569153.db2.gz SNVWMKHZHFXANC-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000623710068 450569157 /nfs/dbraw/zinc/56/91/57/450569157.db2.gz SNVWMKHZHFXANC-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP NC(=O)C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000626076408 450569481 /nfs/dbraw/zinc/56/94/81/450569481.db2.gz LVZOJNUSWQACTE-SFHVURJKSA-N 2 1 331.460 1.749 20 0 EDADMP NC(=O)C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000626076408 450569483 /nfs/dbraw/zinc/56/94/83/450569483.db2.gz LVZOJNUSWQACTE-SFHVURJKSA-N 2 1 331.460 1.749 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000621153673 450602177 /nfs/dbraw/zinc/60/21/77/450602177.db2.gz XFEXWDQOYPJPDD-MJGOQNOKSA-N 2 1 331.460 1.080 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)NCC[N@H+](C)C3CC3)C2)cc1 ZINC000633080890 450667674 /nfs/dbraw/zinc/66/76/74/450667674.db2.gz AEWXQUIOXCCLEO-QGZVFWFLSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCC[NH+](C)C3CC3)C2)cc1 ZINC000633080890 450667676 /nfs/dbraw/zinc/66/76/76/450667676.db2.gz AEWXQUIOXCCLEO-QGZVFWFLSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCC[NH+](C)C3CC3)C2)cc1 ZINC000633080890 450667681 /nfs/dbraw/zinc/66/76/81/450667681.db2.gz AEWXQUIOXCCLEO-QGZVFWFLSA-N 2 1 330.476 1.963 20 0 EDADMP CCC1([NH+](C)C)CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000633088395 450672215 /nfs/dbraw/zinc/67/22/15/450672215.db2.gz RWPNJSSLILBSSD-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)CC[N@H+]1C ZINC000631513604 450630230 /nfs/dbraw/zinc/63/02/30/450630230.db2.gz VAZLMVFYRUABAJ-YESZJQIVSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@@H+](CCCNC(=O)C(C)(C)C[NH+]1CCOCC1)Cc1ccccc1 ZINC000635139800 450686401 /nfs/dbraw/zinc/68/64/01/450686401.db2.gz KLDOXBFIVMZETJ-UHFFFAOYSA-N 2 1 347.503 1.983 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000635161062 450706296 /nfs/dbraw/zinc/70/62/96/450706296.db2.gz XWOKJEQVDWVLMR-OALUTQOASA-N 2 1 343.471 1.584 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC[C@H]2CO1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000635161062 450706298 /nfs/dbraw/zinc/70/62/98/450706298.db2.gz XWOKJEQVDWVLMR-OALUTQOASA-N 2 1 343.471 1.584 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC[C@H]2CO1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000635161062 450706301 /nfs/dbraw/zinc/70/63/01/450706301.db2.gz XWOKJEQVDWVLMR-OALUTQOASA-N 2 1 343.471 1.584 20 0 EDADMP C[NH+](C)Cc1ccccc1CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631679301 450711912 /nfs/dbraw/zinc/71/19/12/450711912.db2.gz VHDLSAZDZPMLQQ-UHFFFAOYSA-N 2 1 325.478 1.262 20 0 EDADMP C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1c[nH+]ccc1N ZINC000629549759 450730632 /nfs/dbraw/zinc/73/06/32/450730632.db2.gz IADUZXPKWJVNOY-GDBMZVCRSA-N 2 1 327.432 1.441 20 0 EDADMP O[C@@H](C[NH2+]C[C@H]1CSCCN1Cc1ccccc1)C[NH+]1CCCC1 ZINC000629575430 450744318 /nfs/dbraw/zinc/74/43/18/450744318.db2.gz NLTJZOBBVLASDL-OALUTQOASA-N 2 1 349.544 1.650 20 0 EDADMP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC(=O)N1Cc1ccccc1 ZINC000629577785 450745122 /nfs/dbraw/zinc/74/51/22/450745122.db2.gz IYRPXVBMBCXVKX-KBAYOESNSA-N 2 1 331.460 1.222 20 0 EDADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000629602576 450757564 /nfs/dbraw/zinc/75/75/64/450757564.db2.gz UNYLZYZKRZLSJM-GOSISDBHSA-N 2 1 343.427 1.516 20 0 EDADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000629602578 450758335 /nfs/dbraw/zinc/75/83/35/450758335.db2.gz UNYLZYZKRZLSJM-SFHVURJKSA-N 2 1 343.427 1.516 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631787131 450777337 /nfs/dbraw/zinc/77/73/37/450777337.db2.gz AROCMXCSLCNWRA-INIZCTEOSA-N 2 1 345.553 1.902 20 0 EDADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843535 450813376 /nfs/dbraw/zinc/81/33/76/450813376.db2.gz OZRIGACTNOVHHX-BZUAXINKSA-N 2 1 347.459 1.202 20 0 EDADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843535 450813380 /nfs/dbraw/zinc/81/33/80/450813380.db2.gz OZRIGACTNOVHHX-BZUAXINKSA-N 2 1 347.459 1.202 20 0 EDADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC000621688531 450834099 /nfs/dbraw/zinc/83/40/99/450834099.db2.gz WEQIGNBLBNBZNR-SCTDSRPQSA-N 2 1 329.444 1.227 20 0 EDADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC000621688531 450834102 /nfs/dbraw/zinc/83/41/02/450834102.db2.gz WEQIGNBLBNBZNR-SCTDSRPQSA-N 2 1 329.444 1.227 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc2c1CCOC2 ZINC000631824578 450798059 /nfs/dbraw/zinc/79/80/59/450798059.db2.gz KLKWZUCQGAJCSY-KRWDZBQOSA-N 2 1 331.460 1.579 20 0 EDADMP Cn1c2cc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)ccc2oc1=O ZINC000631827795 450801557 /nfs/dbraw/zinc/80/15/57/450801557.db2.gz WVSBGSHPCJKRLH-CQSZACIVSA-N 2 1 331.416 1.319 20 0 EDADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000621777895 450863470 /nfs/dbraw/zinc/86/34/70/450863470.db2.gz IMCSPIVURPEIJU-KUHUBIRLSA-N 2 1 327.428 1.876 20 0 EDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000621777895 450863475 /nfs/dbraw/zinc/86/34/75/450863475.db2.gz IMCSPIVURPEIJU-KUHUBIRLSA-N 2 1 327.428 1.876 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C1CCC1 ZINC000629966100 450923944 /nfs/dbraw/zinc/92/39/44/450923944.db2.gz GVYLBWFQTHAJPZ-UHFFFAOYSA-N 2 1 345.487 1.744 20 0 EDADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635449655 450950670 /nfs/dbraw/zinc/95/06/70/450950670.db2.gz CPVFAEKXNSZKMJ-UHFFFAOYSA-N 2 1 325.497 1.678 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NCCOCCC[NH3+])c1ccccc1Cl ZINC000626922886 451006097 /nfs/dbraw/zinc/00/60/97/451006097.db2.gz HKXUWKHDOLUESR-OAHLLOKOSA-N 2 1 342.871 1.607 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000632062069 451010359 /nfs/dbraw/zinc/01/03/59/451010359.db2.gz NLTMCHBFEFZGLS-UHFFFAOYSA-N 2 1 343.537 1.797 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC[C@@H]1C(F)(F)F ZINC000626939215 451020635 /nfs/dbraw/zinc/02/06/35/451020635.db2.gz WHGQTHQQFSBOQB-BZPMIXESSA-N 2 1 348.413 1.639 20 0 EDADMP CN(CCOCC[NH3+])C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000626968305 451040383 /nfs/dbraw/zinc/04/03/83/451040383.db2.gz FWODBLDXDFLNAN-GOSISDBHSA-N 2 1 348.491 1.168 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626999406 451064050 /nfs/dbraw/zinc/06/40/50/451064050.db2.gz ZCTCOKJEFNWVLX-WVWOOGAGSA-N 2 1 348.413 1.638 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000635582223 451081168 /nfs/dbraw/zinc/08/11/68/451081168.db2.gz QNBUKEUNSHYYKH-HNNXBMFYSA-N 2 1 334.464 1.624 20 0 EDADMP C[C@@]1(CNC(=O)NC[C@H]2COCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000627016634 451082160 /nfs/dbraw/zinc/08/21/60/451082160.db2.gz QYNIIYOQSDKSEN-HKUYNNGSSA-N 2 1 346.475 1.329 20 0 EDADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000635588859 451086528 /nfs/dbraw/zinc/08/65/28/451086528.db2.gz CJWXMCFVRWWGKK-UHFFFAOYSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627023328 451086795 /nfs/dbraw/zinc/08/67/95/451086795.db2.gz QNHDJEFENHUUFE-KBAYOESNSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)[NH+](C)C ZINC000635608188 451101327 /nfs/dbraw/zinc/10/13/27/451101327.db2.gz UVIXSCFXUMFIKB-RHSMWYFYSA-N 2 1 346.475 1.741 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[NH2+]1 ZINC000627203142 451185107 /nfs/dbraw/zinc/18/51/07/451185107.db2.gz VHIXSKBWSQZZKO-WXCOAYGQSA-N 2 1 349.523 1.079 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C[NH2+]1 ZINC000627207810 451186659 /nfs/dbraw/zinc/18/66/59/451186659.db2.gz RPQPBGOQKJFODB-BPQIPLTHSA-N 2 1 330.476 1.695 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C[NH2+]1 ZINC000627207810 451186662 /nfs/dbraw/zinc/18/66/62/451186662.db2.gz RPQPBGOQKJFODB-BPQIPLTHSA-N 2 1 330.476 1.695 20 0 EDADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000635743398 451213081 /nfs/dbraw/zinc/21/30/81/451213081.db2.gz NVSCSRQFQTXOSH-ROUUACIJSA-N 2 1 345.487 1.327 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638084098 451247634 /nfs/dbraw/zinc/24/76/34/451247634.db2.gz PXPMFNZJBNDZPH-LMMKCTJWSA-N 2 1 346.519 1.682 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638084098 451247637 /nfs/dbraw/zinc/24/76/37/451247637.db2.gz PXPMFNZJBNDZPH-LMMKCTJWSA-N 2 1 346.519 1.682 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638084098 451247642 /nfs/dbraw/zinc/24/76/42/451247642.db2.gz PXPMFNZJBNDZPH-LMMKCTJWSA-N 2 1 346.519 1.682 20 0 EDADMP C[C@@H](c1ccc(NC(=O)[C@@]2(C[NH3+])CCCOC2)cc1)[NH+]1CCOCC1 ZINC000638100092 451265132 /nfs/dbraw/zinc/26/51/32/451265132.db2.gz JVVOHDNJQLLFPD-HNAYVOBHSA-N 2 1 347.459 1.774 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000638102224 451268525 /nfs/dbraw/zinc/26/85/25/451268525.db2.gz UHCBZBQSPINMGN-QZTJIDSGSA-N 2 1 330.476 1.046 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000638102224 451268529 /nfs/dbraw/zinc/26/85/29/451268529.db2.gz UHCBZBQSPINMGN-QZTJIDSGSA-N 2 1 330.476 1.046 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000638102224 451268534 /nfs/dbraw/zinc/26/85/34/451268534.db2.gz UHCBZBQSPINMGN-QZTJIDSGSA-N 2 1 330.476 1.046 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(S(N)(=O)=O)cc2F)[C@@H](C)C1 ZINC000638114446 451283276 /nfs/dbraw/zinc/28/32/76/451283276.db2.gz JMEAHYFEXPNFPM-LRDDRELGSA-N 2 1 343.468 1.635 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(C)(C)N2CCOCC2)C1 ZINC000638132352 451303657 /nfs/dbraw/zinc/30/36/57/451303657.db2.gz GIZRZKPNKRHGGT-KRWDZBQOSA-N 2 1 327.513 1.530 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@]3(C)C[NH2+]CCO3)cc2)C1 ZINC000638132113 451304184 /nfs/dbraw/zinc/30/41/84/451304184.db2.gz GRARVTWCCWIFSU-BEFAXECRSA-N 2 1 347.459 1.724 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000638137801 451312676 /nfs/dbraw/zinc/31/26/76/451312676.db2.gz OAASFNIJYXDJNQ-SFHVURJKSA-N 2 1 332.492 1.688 20 0 EDADMP [NH3+]C1(CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000638162047 451330145 /nfs/dbraw/zinc/33/01/45/451330145.db2.gz LAFSXMRHVJQLOP-UHFFFAOYSA-N 3 1 330.476 1.368 20 0 EDADMP O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638249192 451380564 /nfs/dbraw/zinc/38/05/64/451380564.db2.gz ORUOLTWUTKTSMI-OTWHNJEPSA-N 2 1 327.472 1.967 20 0 EDADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000635894401 451338076 /nfs/dbraw/zinc/33/80/76/451338076.db2.gz GIWAZEPTCDUCME-SJLPKXTDSA-N 2 1 335.492 1.717 20 0 EDADMP C[N@H+](CCc1ccccc1)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[NH+]1C ZINC000635959675 451398913 /nfs/dbraw/zinc/39/89/13/451398913.db2.gz JAIUVNWQVXMHDT-RBUKOAKNSA-N 2 1 345.487 1.483 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[NH+]1C ZINC000635959675 451398918 /nfs/dbraw/zinc/39/89/18/451398918.db2.gz JAIUVNWQVXMHDT-RBUKOAKNSA-N 2 1 345.487 1.483 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000635959675 451398921 /nfs/dbraw/zinc/39/89/21/451398921.db2.gz JAIUVNWQVXMHDT-RBUKOAKNSA-N 2 1 345.487 1.483 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000635959675 451398924 /nfs/dbraw/zinc/39/89/24/451398924.db2.gz JAIUVNWQVXMHDT-RBUKOAKNSA-N 2 1 345.487 1.483 20 0 EDADMP COCCOCC[N@H+](C)CCC(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000636007587 451434614 /nfs/dbraw/zinc/43/46/14/451434614.db2.gz AUIKKIOCJXXPDE-SFHVURJKSA-N 2 1 349.475 1.144 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000636007587 451434618 /nfs/dbraw/zinc/43/46/18/451434618.db2.gz AUIKKIOCJXXPDE-SFHVURJKSA-N 2 1 349.475 1.144 20 0 EDADMP C[C@H](CN1CCCC1=O)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634642277 451434814 /nfs/dbraw/zinc/43/48/14/451434814.db2.gz HMQFMQGBLXQKHK-APWZRJJASA-N 2 1 331.460 1.224 20 0 EDADMP C[C@H](CN1CCCC1=O)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634642277 451434818 /nfs/dbraw/zinc/43/48/18/451434818.db2.gz HMQFMQGBLXQKHK-APWZRJJASA-N 2 1 331.460 1.224 20 0 EDADMP C[C@@H]1CC2(CN1C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)CC[NH2+]CC2 ZINC000638364880 451462329 /nfs/dbraw/zinc/46/23/29/451462329.db2.gz CUCGCBOYDTXFDX-AEFFLSMTSA-N 2 1 344.503 1.436 20 0 EDADMP C[C@@H]1CC2(CN1C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1)CC[NH2+]CC2 ZINC000638364880 451462333 /nfs/dbraw/zinc/46/23/33/451462333.db2.gz CUCGCBOYDTXFDX-AEFFLSMTSA-N 2 1 344.503 1.436 20 0 EDADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Cn2c[nH+]cc2C)cc1 ZINC000638413090 451498534 /nfs/dbraw/zinc/49/85/34/451498534.db2.gz OKBHOIWLEDWOGO-IRXDYDNUSA-N 2 1 328.416 1.462 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638416332 451502476 /nfs/dbraw/zinc/50/24/76/451502476.db2.gz RFKWNJNFABLLSY-PKOBYXMFSA-N 2 1 331.460 1.140 20 0 EDADMP O=C1[C@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1C1CCC1 ZINC000634723255 451504201 /nfs/dbraw/zinc/50/42/01/451504201.db2.gz GYQHHPMXQQVKLE-UYAOXDASSA-N 2 1 343.471 1.366 20 0 EDADMP O=C1[C@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CCN1C1CCC1 ZINC000634723255 451504207 /nfs/dbraw/zinc/50/42/07/451504207.db2.gz GYQHHPMXQQVKLE-UYAOXDASSA-N 2 1 343.471 1.366 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764944 451534178 /nfs/dbraw/zinc/53/41/78/451534178.db2.gz HDKKPRNSCYLDDG-SJORKVTESA-N 2 1 332.492 1.340 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764944 451534180 /nfs/dbraw/zinc/53/41/80/451534180.db2.gz HDKKPRNSCYLDDG-SJORKVTESA-N 2 1 332.492 1.340 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638488679 451541287 /nfs/dbraw/zinc/54/12/87/451541287.db2.gz FSUCQMQOVIKFRJ-MOPGFXCFSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000638511519 451552853 /nfs/dbraw/zinc/55/28/53/451552853.db2.gz ATKIUXPZPCJKNM-RBUKOAKNSA-N 2 1 345.487 1.734 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)CC2)cs1 ZINC000638647962 451631281 /nfs/dbraw/zinc/63/12/81/451631281.db2.gz QPOHRJHIGPUOAS-WFASDCNBSA-N 2 1 336.505 1.920 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C[C@H]1C[NH3+] ZINC000634998840 451642276 /nfs/dbraw/zinc/64/22/76/451642276.db2.gz LRUWOSFYYXVLSI-NVXWUHKLSA-N 2 1 331.460 1.714 20 0 EDADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1CCOC1 ZINC000638686842 451653502 /nfs/dbraw/zinc/65/35/02/451653502.db2.gz OKLZDVUGTMASSN-IYWMVGAKSA-N 2 1 348.487 1.511 20 0 EDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1CCOC1 ZINC000638686842 451653506 /nfs/dbraw/zinc/65/35/06/451653506.db2.gz OKLZDVUGTMASSN-IYWMVGAKSA-N 2 1 348.487 1.511 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632982592 451678130 /nfs/dbraw/zinc/67/81/30/451678130.db2.gz JTXLMWRUYMFFTD-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638766923 451684558 /nfs/dbraw/zinc/68/45/58/451684558.db2.gz ZINGCAKVZCDOLN-MMTROXRISA-N 2 1 343.471 1.392 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000638834306 451705622 /nfs/dbraw/zinc/70/56/22/451705622.db2.gz DZPPVOAKDSOVIN-WMZOPIPTSA-N 2 1 345.487 1.639 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(CCCOCC(F)(F)F)nn2)CC1 ZINC000641059269 451743215 /nfs/dbraw/zinc/74/32/15/451743215.db2.gz KYHVEJWHQQPYDD-UHFFFAOYSA-N 2 1 335.374 1.213 20 0 EDADMP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000638985169 451746633 /nfs/dbraw/zinc/74/66/33/451746633.db2.gz BCRFSHCNWLAIAU-KRWDZBQOSA-N 2 1 337.427 1.317 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[NH2+]C[C@H]3CCCO3)C2)cc1 ZINC000639006571 451751542 /nfs/dbraw/zinc/75/15/42/451751542.db2.gz WYVZPLYIJVIHPA-ZWKOTPCHSA-N 2 1 331.460 1.454 20 0 EDADMP CN(Cc1ccc(S(N)(=O)=O)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639161369 451781849 /nfs/dbraw/zinc/78/18/49/451781849.db2.gz CDYRIBKSOFFCBG-FOSCPWQOSA-N 2 1 329.491 1.453 20 0 EDADMP CC(=O)c1cccc(OC[C@H](O)C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000644526263 451841812 /nfs/dbraw/zinc/84/18/12/451841812.db2.gz RNJQZGDAHWFCIQ-QGZVFWFLSA-N 2 1 331.416 1.814 20 0 EDADMP Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C2 ZINC000644518116 451836122 /nfs/dbraw/zinc/83/61/22/451836122.db2.gz MLHFDUHMFSOSAY-MOPGFXCFSA-N 2 1 340.471 1.725 20 0 EDADMP Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C2 ZINC000644518116 451836125 /nfs/dbraw/zinc/83/61/25/451836125.db2.gz MLHFDUHMFSOSAY-MOPGFXCFSA-N 2 1 340.471 1.725 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000644521964 451837681 /nfs/dbraw/zinc/83/76/81/451837681.db2.gz JTTQTMYGAYXDPA-IRXDYDNUSA-N 2 1 328.497 1.645 20 0 EDADMP O[C@]1(CN2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639546601 451938922 /nfs/dbraw/zinc/93/89/22/451938922.db2.gz JMEAHOYFLRUQGD-UXHICEINSA-N 2 1 345.487 1.030 20 0 EDADMP O[C@]1(CN2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639546601 451938928 /nfs/dbraw/zinc/93/89/28/451938928.db2.gz JMEAHOYFLRUQGD-UXHICEINSA-N 2 1 345.487 1.030 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COC3(C)C[NH2+]C3)cc2)C1 ZINC000649288552 451962616 /nfs/dbraw/zinc/96/26/16/451962616.db2.gz YOFKVEGJEGINHC-MRXNPFEDSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000637608617 451970924 /nfs/dbraw/zinc/97/09/24/451970924.db2.gz WVUCPEPTGUEHKF-SJLPKXTDSA-N 2 1 330.476 1.712 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000637608617 451970929 /nfs/dbraw/zinc/97/09/29/451970929.db2.gz WVUCPEPTGUEHKF-SJLPKXTDSA-N 2 1 330.476 1.712 20 0 EDADMP Cc1ncc(CNC(=O)CC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)s1 ZINC000639654259 452002211 /nfs/dbraw/zinc/00/22/11/452002211.db2.gz CCSANMGDPGARQL-KRWDZBQOSA-N 2 1 336.505 1.876 20 0 EDADMP Cc1ncc(CNC(=O)CC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)s1 ZINC000639654259 452002218 /nfs/dbraw/zinc/00/22/18/452002218.db2.gz CCSANMGDPGARQL-KRWDZBQOSA-N 2 1 336.505 1.876 20 0 EDADMP Cc1ncc(CNC(=O)CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)s1 ZINC000639654259 452002224 /nfs/dbraw/zinc/00/22/24/452002224.db2.gz CCSANMGDPGARQL-KRWDZBQOSA-N 2 1 336.505 1.876 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000647012690 452003696 /nfs/dbraw/zinc/00/36/96/452003696.db2.gz YMJGFRRYNVTRAY-SQNIBIBYSA-N 2 1 331.460 1.473 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000647012690 452003702 /nfs/dbraw/zinc/00/37/02/452003702.db2.gz YMJGFRRYNVTRAY-SQNIBIBYSA-N 2 1 331.460 1.473 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000649331733 452012986 /nfs/dbraw/zinc/01/29/86/452012986.db2.gz SCKNLPSPDXCUMD-GJZGRUSLSA-N 2 1 348.495 1.443 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[C@H]3C[NH3+])CC2)oc1C ZINC000649331578 452013525 /nfs/dbraw/zinc/01/35/25/452013525.db2.gz DJRWGNOBWXXAKY-DLBZAZTESA-N 2 1 348.491 1.995 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000639682084 452021659 /nfs/dbraw/zinc/02/16/59/452021659.db2.gz KEFCLVIPMNBNDQ-KRWDZBQOSA-N 2 1 345.491 1.146 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)CCC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000649351077 452035733 /nfs/dbraw/zinc/03/57/33/452035733.db2.gz JCPDYHNUIJVXMK-GOSISDBHSA-N 2 1 346.519 1.999 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)CCC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000649351077 452035741 /nfs/dbraw/zinc/03/57/41/452035741.db2.gz JCPDYHNUIJVXMK-GOSISDBHSA-N 2 1 346.519 1.999 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)CCC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000649351077 452035745 /nfs/dbraw/zinc/03/57/45/452035745.db2.gz JCPDYHNUIJVXMK-GOSISDBHSA-N 2 1 346.519 1.999 20 0 EDADMP COc1ccccc1NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000643080942 452036260 /nfs/dbraw/zinc/03/62/60/452036260.db2.gz NJZOSIKRLACSSG-KXBFYZLASA-N 2 1 347.459 1.852 20 0 EDADMP CNC(=O)c1cc(O[C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC000639701762 452037414 /nfs/dbraw/zinc/03/74/14/452037414.db2.gz JUTBHCFUAXKOFJ-DOTOQJQBSA-N 2 1 346.475 1.769 20 0 EDADMP CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC000639701762 452037418 /nfs/dbraw/zinc/03/74/18/452037418.db2.gz JUTBHCFUAXKOFJ-DOTOQJQBSA-N 2 1 346.475 1.769 20 0 EDADMP CNC(=O)c1cc(O[C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)ccn1 ZINC000639701762 452037423 /nfs/dbraw/zinc/03/74/23/452037423.db2.gz JUTBHCFUAXKOFJ-DOTOQJQBSA-N 2 1 346.475 1.769 20 0 EDADMP CNC(=O)c1cc(O[C@@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)ccn1 ZINC000639701762 452037427 /nfs/dbraw/zinc/03/74/27/452037427.db2.gz JUTBHCFUAXKOFJ-DOTOQJQBSA-N 2 1 346.475 1.769 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649370480 452047955 /nfs/dbraw/zinc/04/79/55/452047955.db2.gz PMJVJRKDKJLFAQ-ZWKOTPCHSA-N 2 1 343.471 1.678 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649370480 452047963 /nfs/dbraw/zinc/04/79/63/452047963.db2.gz PMJVJRKDKJLFAQ-ZWKOTPCHSA-N 2 1 343.471 1.678 20 0 EDADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)CN(C)CCC[NH3+])CC2)cc1 ZINC000649410046 452074015 /nfs/dbraw/zinc/07/40/15/452074015.db2.gz JSDVDOJWYGWWPJ-UHFFFAOYSA-N 2 1 346.519 1.735 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000649418485 452081698 /nfs/dbraw/zinc/08/16/98/452081698.db2.gz DPGDLAJPRVEUAG-CJNGLKHVSA-N 2 1 329.404 1.460 20 0 EDADMP C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637806203 452092868 /nfs/dbraw/zinc/09/28/68/452092868.db2.gz QFWSJCMKYUAETF-PKOBYXMFSA-N 2 1 331.460 1.251 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)CC1 ZINC000639761685 452101104 /nfs/dbraw/zinc/10/11/04/452101104.db2.gz HWSDISIBXXPVSF-UHFFFAOYSA-N 2 1 345.443 1.814 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649488087 452106872 /nfs/dbraw/zinc/10/68/72/452106872.db2.gz BGEXOYAQDUBHMM-GOSISDBHSA-N 2 1 338.540 1.641 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649488087 452106879 /nfs/dbraw/zinc/10/68/79/452106879.db2.gz BGEXOYAQDUBHMM-GOSISDBHSA-N 2 1 338.540 1.641 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CC[C@H](C[NH+](C)C)C2)n1 ZINC000645039958 452128885 /nfs/dbraw/zinc/12/88/85/452128885.db2.gz UYKQAJPGJQMCCV-RYRKJORJSA-N 2 1 347.507 2.480 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000663558212 452269266 /nfs/dbraw/zinc/26/92/66/452269266.db2.gz LXAYMPMXBGZFEU-HNNXBMFYSA-N 2 1 339.528 1.184 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000663558212 452269275 /nfs/dbraw/zinc/26/92/75/452269275.db2.gz LXAYMPMXBGZFEU-HNNXBMFYSA-N 2 1 339.528 1.184 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)NCc2ccccc2Cn2cccn2)C[C@@H]1[NH3+] ZINC000641804360 452279815 /nfs/dbraw/zinc/27/98/15/452279815.db2.gz YXUVLDGRLZVEFT-DLBZAZTESA-N 2 1 341.459 1.263 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803801 452279855 /nfs/dbraw/zinc/27/98/55/452279855.db2.gz HSGQRXKVGKCAOU-IAGOWNOFSA-N 2 1 333.476 1.943 20 0 EDADMP CC[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000659434035 452281165 /nfs/dbraw/zinc/28/11/65/452281165.db2.gz IKUILQONGPUBQI-RCCFBDPRSA-N 2 1 348.466 1.904 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000659434851 452281442 /nfs/dbraw/zinc/28/14/42/452281442.db2.gz CWJJUACMVMNOPB-SJLPKXTDSA-N 2 1 347.507 1.272 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000659434851 452281451 /nfs/dbraw/zinc/28/14/51/452281451.db2.gz CWJJUACMVMNOPB-SJLPKXTDSA-N 2 1 347.507 1.272 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000659434851 452281462 /nfs/dbraw/zinc/28/14/62/452281462.db2.gz CWJJUACMVMNOPB-SJLPKXTDSA-N 2 1 347.507 1.272 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488174 452285600 /nfs/dbraw/zinc/28/56/00/452285600.db2.gz VCTVVRPSLYVIJV-BSXFFOKHSA-N 2 1 331.460 1.487 20 0 EDADMP COc1cc(NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc(OC)c1OC ZINC000641808591 452289325 /nfs/dbraw/zinc/28/93/25/452289325.db2.gz ZACKXIGQDGAGCD-KBPBESRZSA-N 2 1 337.420 1.366 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1F ZINC000659442201 452290324 /nfs/dbraw/zinc/29/03/24/452290324.db2.gz DYCZRKCYINQAME-UKRRQHHQSA-N 2 1 349.385 1.901 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000659442540 452291892 /nfs/dbraw/zinc/29/18/92/452291892.db2.gz JEWXXKBWDQDULO-HUUCEWRRSA-N 2 1 334.464 1.314 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000659442540 452291896 /nfs/dbraw/zinc/29/18/96/452291896.db2.gz JEWXXKBWDQDULO-HUUCEWRRSA-N 2 1 334.464 1.314 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659453273 452303274 /nfs/dbraw/zinc/30/32/74/452303274.db2.gz IVBBQSBWLVPJOW-RBSFLKMASA-N 2 1 328.476 1.968 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)n1C ZINC000659465285 452320486 /nfs/dbraw/zinc/32/04/86/452320486.db2.gz PLFANTUUOKSCTJ-HNNXBMFYSA-N 2 1 348.495 1.407 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659465458 452321123 /nfs/dbraw/zinc/32/11/23/452321123.db2.gz KYANMZQUTXTNPH-VHJHTJHASA-N 2 1 342.487 1.948 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000665760100 452330331 /nfs/dbraw/zinc/33/03/31/452330331.db2.gz ZEHUTWAJKRPSBK-IXDOHACOSA-N 2 1 341.544 1.240 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000665760100 452330344 /nfs/dbraw/zinc/33/03/44/452330344.db2.gz ZEHUTWAJKRPSBK-IXDOHACOSA-N 3 1 341.544 1.240 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000665760100 452330354 /nfs/dbraw/zinc/33/03/54/452330354.db2.gz ZEHUTWAJKRPSBK-IXDOHACOSA-N 3 1 341.544 1.240 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000665760100 452330365 /nfs/dbraw/zinc/33/03/65/452330365.db2.gz ZEHUTWAJKRPSBK-IXDOHACOSA-N 3 1 341.544 1.240 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000665760100 452330376 /nfs/dbraw/zinc/33/03/76/452330376.db2.gz ZEHUTWAJKRPSBK-IXDOHACOSA-N 3 1 341.544 1.240 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCOC[C@H]1C1CC1 ZINC000665760219 452333476 /nfs/dbraw/zinc/33/34/76/452333476.db2.gz CJEDAWPHFGDVIR-HOCLYGCPSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCOC[C@H]1C1CC1 ZINC000665760219 452333485 /nfs/dbraw/zinc/33/34/85/452333485.db2.gz CJEDAWPHFGDVIR-HOCLYGCPSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659481593 452341429 /nfs/dbraw/zinc/34/14/29/452341429.db2.gz JAGWKUPIRHWNTA-JGWYNZBZSA-N 2 1 328.460 1.640 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CN1C1CC1 ZINC000657593997 452360188 /nfs/dbraw/zinc/36/01/88/452360188.db2.gz GDVBSOZNNPKNRZ-BPAFIMBUSA-N 2 1 329.488 1.968 20 0 EDADMP NC(=O)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657594991 452362300 /nfs/dbraw/zinc/36/23/00/452362300.db2.gz MCFSXECRSYPFGU-LJQANCHMSA-N 2 1 339.439 1.642 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000638069827 452372446 /nfs/dbraw/zinc/37/24/46/452372446.db2.gz MZWITOJPVGYLJD-SOLBZPMBSA-N 2 1 333.476 1.910 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)NCC1CC[NH2+]CC1 ZINC000659508240 452374057 /nfs/dbraw/zinc/37/40/57/452374057.db2.gz SDIWSHSZOLDFRZ-SFHVURJKSA-N 2 1 346.475 1.052 20 0 EDADMP [NH3+]C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCOC1 ZINC000638071107 452378050 /nfs/dbraw/zinc/37/80/50/452378050.db2.gz FFLYSWQCOLVFTO-MJGOQNOKSA-N 2 1 331.460 1.523 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659522894 452386523 /nfs/dbraw/zinc/38/65/23/452386523.db2.gz OTAFBWVPJMSQEE-HUUCEWRRSA-N 2 1 338.496 1.447 20 0 EDADMP [NH3+]Cc1ncc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000638080805 452397445 /nfs/dbraw/zinc/39/74/45/452397445.db2.gz QYJWDUYNYCNRAE-KRWDZBQOSA-N 2 1 339.443 1.720 20 0 EDADMP [NH3+]CC1(CCNC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000659559049 452414113 /nfs/dbraw/zinc/41/41/13/452414113.db2.gz IAIQWAKPEFQXKM-KRWDZBQOSA-N 2 1 346.475 1.181 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659571903 452428075 /nfs/dbraw/zinc/42/80/75/452428075.db2.gz NKYWMMTZCOMSGV-INIZCTEOSA-N 2 1 337.512 1.069 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659609568 452466369 /nfs/dbraw/zinc/46/63/69/452466369.db2.gz KBDYVOPADBQFSZ-ARFHVFGLSA-N 2 1 336.480 1.023 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[C@H]1[NH3+] ZINC000659612452 452469442 /nfs/dbraw/zinc/46/94/42/452469442.db2.gz XBRSDHBRUNALMP-KLHDSHLOSA-N 2 1 336.480 1.009 20 0 EDADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000652292896 452476487 /nfs/dbraw/zinc/47/64/87/452476487.db2.gz MJVAZGCORHNADL-UHFFFAOYSA-N 2 1 344.459 1.515 20 0 EDADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000652292896 452476492 /nfs/dbraw/zinc/47/64/92/452476492.db2.gz MJVAZGCORHNADL-UHFFFAOYSA-N 2 1 344.459 1.515 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654423060 452476957 /nfs/dbraw/zinc/47/69/57/452476957.db2.gz ZRJZTRDPHTVDMF-YHUYYLMFSA-N 2 1 328.501 1.514 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654423060 452476963 /nfs/dbraw/zinc/47/69/63/452476963.db2.gz ZRJZTRDPHTVDMF-YHUYYLMFSA-N 2 1 328.501 1.514 20 0 EDADMP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1-n1cncn1 ZINC000657750216 452497483 /nfs/dbraw/zinc/49/74/83/452497483.db2.gz DNSQCIUFGLXVSM-GOSISDBHSA-N 2 1 341.459 1.919 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000659637102 452501359 /nfs/dbraw/zinc/50/13/59/452501359.db2.gz DABPZUMYUXUYDY-HNNXBMFYSA-N 2 1 334.464 1.520 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655688958 452513126 /nfs/dbraw/zinc/51/31/26/452513126.db2.gz QMZUUIHNKCUJLQ-LJQANCHMSA-N 2 1 338.540 1.247 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654452444 452517556 /nfs/dbraw/zinc/51/75/56/452517556.db2.gz SCYYXXONSXPJFI-AIANPOQGSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654452444 452517565 /nfs/dbraw/zinc/51/75/65/452517565.db2.gz SCYYXXONSXPJFI-AIANPOQGSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](CC2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654452444 452517574 /nfs/dbraw/zinc/51/75/74/452517574.db2.gz SCYYXXONSXPJFI-AIANPOQGSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](CC2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654452444 452517580 /nfs/dbraw/zinc/51/75/80/452517580.db2.gz SCYYXXONSXPJFI-AIANPOQGSA-N 2 1 338.496 1.268 20 0 EDADMP Cc1csc(=O)n1CC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346754 452523048 /nfs/dbraw/zinc/52/30/48/452523048.db2.gz GWVKHGIXYIHOCB-SOUVJXGZSA-N 2 1 325.478 1.437 20 0 EDADMP C[C@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348752 452525554 /nfs/dbraw/zinc/52/55/54/452525554.db2.gz PYNGCJDNMZAFSW-XJFOESAGSA-N 2 1 338.477 1.688 20 0 EDADMP C[C@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348752 452525562 /nfs/dbraw/zinc/52/55/62/452525562.db2.gz PYNGCJDNMZAFSW-XJFOESAGSA-N 2 1 338.477 1.688 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351958 452527852 /nfs/dbraw/zinc/52/78/52/452527852.db2.gz NLSAWJMVSIYOTN-PXNSSMCTSA-N 2 1 345.487 1.859 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351958 452527863 /nfs/dbraw/zinc/52/78/63/452527863.db2.gz NLSAWJMVSIYOTN-PXNSSMCTSA-N 2 1 345.487 1.859 20 0 EDADMP COc1ccc(C(=O)NCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655725005 452537612 /nfs/dbraw/zinc/53/76/12/452537612.db2.gz KKZLDLIKGRFHOV-KRWDZBQOSA-N 2 1 347.459 1.268 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccccn3)no2)C1 ZINC000652362317 452545098 /nfs/dbraw/zinc/54/50/98/452545098.db2.gz DKKXGGHGLTZZEH-VNQPRFMTSA-N 2 1 343.431 1.992 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2nc(-c3ccccn3)no2)C1 ZINC000652362317 452545104 /nfs/dbraw/zinc/54/51/04/452545104.db2.gz DKKXGGHGLTZZEH-VNQPRFMTSA-N 2 1 343.431 1.992 20 0 EDADMP CC(C)(C)CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652362130 452545434 /nfs/dbraw/zinc/54/54/34/452545434.db2.gz YPFKEVLJUNIRKZ-ARFHVFGLSA-N 2 1 325.497 1.900 20 0 EDADMP CCN(C(=O)NC1CC[NH+](CCOC)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000663826369 452554139 /nfs/dbraw/zinc/55/41/39/452554139.db2.gz RSKWTPLCZOXOPZ-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654487534 452560004 /nfs/dbraw/zinc/56/00/04/452560004.db2.gz LRMRYTWWAPBGNP-MWDXBVQZSA-N 2 1 340.512 1.658 20 0 EDADMP COC[C@@H](CC(C)(C)C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000655842478 452606367 /nfs/dbraw/zinc/60/63/67/452606367.db2.gz KAMKNGWVHBVEII-MRXNPFEDSA-N 2 1 335.496 1.769 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654528593 452609059 /nfs/dbraw/zinc/60/90/59/452609059.db2.gz XOFVLLBVPXBVCY-IAGOWNOFSA-N 2 1 340.512 1.661 20 0 EDADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)ccc21 ZINC000650236994 452624536 /nfs/dbraw/zinc/62/45/36/452624536.db2.gz RMYRAWFLHWPUJC-AEFFLSMTSA-N 2 1 344.459 1.518 20 0 EDADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)ccc21 ZINC000650236994 452624545 /nfs/dbraw/zinc/62/45/45/452624545.db2.gz RMYRAWFLHWPUJC-AEFFLSMTSA-N 2 1 344.459 1.518 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Cn1cccn1 ZINC000666127408 452626103 /nfs/dbraw/zinc/62/61/03/452626103.db2.gz UKRAMMRZWVLOLP-IBGZPJMESA-N 2 1 328.460 1.541 20 0 EDADMP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655907213 452665173 /nfs/dbraw/zinc/66/51/73/452665173.db2.gz DMXOKGVCMQDMOD-IAGOWNOFSA-N 2 1 329.448 1.866 20 0 EDADMP Cc1cc(CNC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)n1 ZINC000654594667 452681163 /nfs/dbraw/zinc/68/11/63/452681163.db2.gz GGHIGMMJSOXKSC-HRCADAONSA-N 2 1 334.464 1.995 20 0 EDADMP Cc1cc(CNC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)n1 ZINC000654594667 452681168 /nfs/dbraw/zinc/68/11/68/452681168.db2.gz GGHIGMMJSOXKSC-HRCADAONSA-N 2 1 334.464 1.995 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC2([NH3+])CCC2)c1 ZINC000645688733 452691119 /nfs/dbraw/zinc/69/11/19/452691119.db2.gz UJAVLWUHJZLQPY-OAHLLOKOSA-N 2 1 330.432 1.346 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC2([NH3+])CCC2)c1 ZINC000645688733 452691131 /nfs/dbraw/zinc/69/11/31/452691131.db2.gz UJAVLWUHJZLQPY-OAHLLOKOSA-N 2 1 330.432 1.346 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655927815 452694966 /nfs/dbraw/zinc/69/49/66/452694966.db2.gz JVVIVWVSXNSJIZ-UONOGXRCSA-N 2 1 344.381 1.697 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000664002548 452704316 /nfs/dbraw/zinc/70/43/16/452704316.db2.gz HXXMVQMBAAYAGI-IAGOWNOFSA-N 2 1 338.496 1.223 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCCOc1ccccc1 ZINC000647975636 452721598 /nfs/dbraw/zinc/72/15/98/452721598.db2.gz DACVLZMKFXPELE-MSOLQXFVSA-N 2 1 345.487 1.893 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658126770 452739290 /nfs/dbraw/zinc/73/92/90/452739290.db2.gz ZLDFHXCARRXQDV-MRXNPFEDSA-N 2 1 346.475 1.676 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)CC1 ZINC000662016010 452771434 /nfs/dbraw/zinc/77/14/34/452771434.db2.gz DJXXYRFPGBEZCF-LJQANCHMSA-N 2 1 344.503 1.798 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000652624719 452784349 /nfs/dbraw/zinc/78/43/49/452784349.db2.gz NMYHUBLULMOLFU-CQSZACIVSA-N 2 1 334.464 1.739 20 0 EDADMP CC(C)c1cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n2ncnc2n1 ZINC000664197244 452869314 /nfs/dbraw/zinc/86/93/14/452869314.db2.gz SNNZJZMBYRUWGF-AWEZNQCLSA-N 2 1 333.484 1.932 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)CC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977881 452965856 /nfs/dbraw/zinc/96/58/56/452965856.db2.gz MIYIOTVAGMHEMP-PKOBYXMFSA-N 2 1 344.503 1.751 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)CC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977881 452965863 /nfs/dbraw/zinc/96/58/63/452965863.db2.gz MIYIOTVAGMHEMP-PKOBYXMFSA-N 2 1 344.503 1.751 20 0 EDADMP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000648277196 452966409 /nfs/dbraw/zinc/96/64/09/452966409.db2.gz QEOIALULVWDCQC-IRXDYDNUSA-N 2 1 325.416 1.966 20 0 EDADMP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000648277196 452966416 /nfs/dbraw/zinc/96/64/16/452966416.db2.gz QEOIALULVWDCQC-IRXDYDNUSA-N 2 1 325.416 1.966 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C3CCOCC3)CC2)CC1 ZINC000654851247 452974010 /nfs/dbraw/zinc/97/40/10/452974010.db2.gz ZFPLAYBSGBCGFA-UHFFFAOYSA-N 2 1 337.508 1.820 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000662287413 453011755 /nfs/dbraw/zinc/01/17/55/453011755.db2.gz ZOEBEHORWUEGMD-BBRMVZONSA-N 2 1 325.478 1.544 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2nnnn2CC2CCOCC2)[C@@H]1CCC[NH3+] ZINC000662315272 453030741 /nfs/dbraw/zinc/03/07/41/453030741.db2.gz GZWWVYXRMNTCOA-GDBMZVCRSA-N 2 1 336.484 1.439 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCS[C@@H](c3ccccc3)C2)C1 ZINC000666640982 453031131 /nfs/dbraw/zinc/03/11/31/453031131.db2.gz UHMMSYFQSQOEMZ-NVXWUHKLSA-N 2 1 333.501 1.974 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000660120167 453047549 /nfs/dbraw/zinc/04/75/49/453047549.db2.gz DRJJLXCONKSUIE-JZXOWHBKSA-N 2 1 336.524 1.378 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000660120167 453047559 /nfs/dbraw/zinc/04/75/59/453047559.db2.gz DRJJLXCONKSUIE-JZXOWHBKSA-N 2 1 336.524 1.378 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000660120167 453047563 /nfs/dbraw/zinc/04/75/63/453047563.db2.gz DRJJLXCONKSUIE-JZXOWHBKSA-N 2 1 336.524 1.378 20 0 EDADMP c1c([C@H]2CCC[N@H+](CC[C@@H]3CCCO3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000662338257 453056353 /nfs/dbraw/zinc/05/63/53/453056353.db2.gz PLTYTXFJSIUOKZ-HOTGVXAUSA-N 2 1 333.480 1.568 20 0 EDADMP C[N@H+](CCNC(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1)C1CC1 ZINC000650868632 453070130 /nfs/dbraw/zinc/07/01/30/453070130.db2.gz LLKGYVRHWRMGSO-GOSISDBHSA-N 2 1 330.476 1.649 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1)C1CC1 ZINC000650868632 453070135 /nfs/dbraw/zinc/07/01/35/453070135.db2.gz LLKGYVRHWRMGSO-GOSISDBHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+](CCNC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)C1CC1 ZINC000650868632 453070143 /nfs/dbraw/zinc/07/01/43/453070143.db2.gz LLKGYVRHWRMGSO-GOSISDBHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+](CCNC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)C1CC1 ZINC000650868632 453070154 /nfs/dbraw/zinc/07/01/54/453070154.db2.gz LLKGYVRHWRMGSO-GOSISDBHSA-N 2 1 330.476 1.649 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662382332 453093005 /nfs/dbraw/zinc/09/30/05/453093005.db2.gz SBXCYVJISOQTBI-SFHVURJKSA-N 2 1 333.476 1.782 20 0 EDADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666723797 453099798 /nfs/dbraw/zinc/09/97/98/453099798.db2.gz LEUJXKICTUYWFO-UHFFFAOYSA-N 2 1 332.448 1.417 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC(C)(C)c1ccncc1 ZINC000664561011 453196174 /nfs/dbraw/zinc/19/61/74/453196174.db2.gz GOTIJSPGARVNEO-INIZCTEOSA-N 2 1 349.523 1.930 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC(C)(C)c1ccncc1 ZINC000664561011 453196188 /nfs/dbraw/zinc/19/61/88/453196188.db2.gz GOTIJSPGARVNEO-INIZCTEOSA-N 2 1 349.523 1.930 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662484519 453200885 /nfs/dbraw/zinc/20/08/85/453200885.db2.gz KMUJALLALOOROC-AWEZNQCLSA-N 2 1 334.464 1.946 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334758 453223788 /nfs/dbraw/zinc/22/37/88/453223788.db2.gz QJMINHDJLZSMMM-WOJBJXKFSA-N 2 1 349.519 1.256 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)CN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334758 453223797 /nfs/dbraw/zinc/22/37/97/453223797.db2.gz QJMINHDJLZSMMM-WOJBJXKFSA-N 2 1 349.519 1.256 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)CN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334758 453223807 /nfs/dbraw/zinc/22/38/07/453223807.db2.gz QJMINHDJLZSMMM-WOJBJXKFSA-N 2 1 349.519 1.256 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334757 453224010 /nfs/dbraw/zinc/22/40/10/453224010.db2.gz QJMINHDJLZSMMM-VQTJNVASSA-N 2 1 349.519 1.256 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)CN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334757 453224022 /nfs/dbraw/zinc/22/40/22/453224022.db2.gz QJMINHDJLZSMMM-VQTJNVASSA-N 2 1 349.519 1.256 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)CN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334757 453224033 /nfs/dbraw/zinc/22/40/33/453224033.db2.gz QJMINHDJLZSMMM-VQTJNVASSA-N 2 1 349.519 1.256 20 0 EDADMP FC(F)(F)[C@@H](C[NH2+]Cc1nc2c(s1)CCC2)N1CC[NH2+]CC1 ZINC000666898970 453225326 /nfs/dbraw/zinc/22/53/26/453225326.db2.gz DJZORQFKVGUMSE-GFCCVEGCSA-N 2 1 334.411 1.558 20 0 EDADMP O=C(C[NH2+]Cc1cnc2ccccn12)NCC[NH+]1CCCCCC1 ZINC000646215203 453226221 /nfs/dbraw/zinc/22/62/21/453226221.db2.gz LDLLPABGDFHLNM-UHFFFAOYSA-N 2 1 329.448 1.416 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653059124 453236565 /nfs/dbraw/zinc/23/65/65/453236565.db2.gz VPKBMWNVSCZJIY-IAGOWNOFSA-N 2 1 335.492 1.668 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@H+]1C ZINC000648766239 453245930 /nfs/dbraw/zinc/24/59/30/453245930.db2.gz LHLXSQVPMFTGEI-BHIYHBOVSA-N 2 1 344.503 1.432 20 0 EDADMP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000653106232 453287037 /nfs/dbraw/zinc/28/70/37/453287037.db2.gz YAMXFRFLNVEYBI-CABCVRRESA-N 2 1 326.872 1.338 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000666971854 453287704 /nfs/dbraw/zinc/28/77/04/453287704.db2.gz IQPXQQUGQUCPKQ-QGZVFWFLSA-N 2 1 338.496 1.365 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662578610 453304934 /nfs/dbraw/zinc/30/49/34/453304934.db2.gz SYASMQCFDNNGHR-JKSUJKDBSA-N 2 1 345.491 1.710 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3CCC[NH2+]CC3)CC2)nc(C)[nH+]1 ZINC000653123398 453315843 /nfs/dbraw/zinc/31/58/43/453315843.db2.gz XJJVVSNGEHAWEF-OAHLLOKOSA-N 2 1 331.464 1.568 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646384619 453359259 /nfs/dbraw/zinc/35/92/59/453359259.db2.gz LQJCZSIWFZUJLO-RRFJBIMHSA-N 2 1 331.464 1.338 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cnc(CC2CC2)nc1 ZINC000667051714 453367854 /nfs/dbraw/zinc/36/78/54/453367854.db2.gz NZJNWDTUQXLHTQ-AWEZNQCLSA-N 2 1 348.495 1.823 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cnc(CC2CC2)nc1 ZINC000667051714 453367860 /nfs/dbraw/zinc/36/78/60/453367860.db2.gz NZJNWDTUQXLHTQ-AWEZNQCLSA-N 2 1 348.495 1.823 20 0 EDADMP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)NC1C[NH2+]C1 ZINC000667067799 453383922 /nfs/dbraw/zinc/38/39/22/453383922.db2.gz SXKNZSVZFFZPJY-UHFFFAOYSA-N 2 1 343.431 1.067 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000658784824 453392142 /nfs/dbraw/zinc/39/21/42/453392142.db2.gz SWGKSKBDMKBXNN-ZDUSSCGKSA-N 2 1 329.404 1.182 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000658784824 453392151 /nfs/dbraw/zinc/39/21/51/453392151.db2.gz SWGKSKBDMKBXNN-ZDUSSCGKSA-N 2 1 329.404 1.182 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000662708796 453433109 /nfs/dbraw/zinc/43/31/09/453433109.db2.gz UPEBZIPBTAFRTG-BSDSXHPESA-N 2 1 347.503 1.382 20 0 EDADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000662730626 453457766 /nfs/dbraw/zinc/45/77/66/453457766.db2.gz LMLZGWFRXMWILN-HDDXRBDOSA-N 2 1 343.471 1.662 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662741017 453466931 /nfs/dbraw/zinc/46/69/31/453466931.db2.gz BXILQHHVKSYBIF-KSZLIROESA-N 2 1 330.476 1.046 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662741017 453466935 /nfs/dbraw/zinc/46/69/35/453466935.db2.gz BXILQHHVKSYBIF-KSZLIROESA-N 2 1 330.476 1.046 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662748377 453477613 /nfs/dbraw/zinc/47/76/13/453477613.db2.gz RNBBSVBXYKYWPW-HZPDHXFCSA-N 2 1 348.495 1.397 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)Cc3cncc(O)c3)CC2)CC1 ZINC000655407732 453509854 /nfs/dbraw/zinc/50/98/54/453509854.db2.gz OLKDDYAYJYSAGS-UHFFFAOYSA-N 2 1 346.475 1.348 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655444211 453531559 /nfs/dbraw/zinc/53/15/59/453531559.db2.gz PRACNJCQODVQEH-QUCCMNQESA-N 2 1 343.471 1.525 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cn([C@@H]4CCC[NH2+]CC4)nn3)CC[C@H]21 ZINC000662804715 453540049 /nfs/dbraw/zinc/54/00/49/453540049.db2.gz RYFYEVPNCITLOU-BFYDXBDKSA-N 2 1 346.479 1.149 20 0 EDADMP CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662858065 453573924 /nfs/dbraw/zinc/57/39/24/453573924.db2.gz DRMABYCWTSDLJT-SJORKVTESA-N 2 1 331.460 1.258 20 0 EDADMP CC[N@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000660786243 453574110 /nfs/dbraw/zinc/57/41/10/453574110.db2.gz IUPNKPBSMBVWFE-MJGOQNOKSA-N 2 1 346.519 1.822 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659041700 453596434 /nfs/dbraw/zinc/59/64/34/453596434.db2.gz KTVRRCIXPZWGEG-IRXDYDNUSA-N 2 1 332.448 1.905 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000660842564 453602052 /nfs/dbraw/zinc/60/20/52/453602052.db2.gz XLYPHFOCOXRZIP-SJLPKXTDSA-N 2 1 328.460 1.797 20 0 EDADMP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000660842564 453602054 /nfs/dbraw/zinc/60/20/54/453602054.db2.gz XLYPHFOCOXRZIP-SJLPKXTDSA-N 2 1 328.460 1.797 20 0 EDADMP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000660842564 453602055 /nfs/dbraw/zinc/60/20/55/453602055.db2.gz XLYPHFOCOXRZIP-SJLPKXTDSA-N 2 1 328.460 1.797 20 0 EDADMP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CNCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259465 453628734 /nfs/dbraw/zinc/62/87/34/453628734.db2.gz GWLHQUPBSYPIJX-BFYDXBDKSA-N 2 1 339.455 1.623 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659096365 453629416 /nfs/dbraw/zinc/62/94/16/453629416.db2.gz PGPDRRPIIBLEKZ-MRXNPFEDSA-N 2 1 346.475 1.724 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660885794 453632436 /nfs/dbraw/zinc/63/24/36/453632436.db2.gz ARJYHIRJBXEOTD-XOKHGSTOSA-N 2 1 336.480 1.022 20 0 EDADMP C[C@H](NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000665283319 453634755 /nfs/dbraw/zinc/63/47/55/453634755.db2.gz LNQWOWCSDBCGKR-DFQSSKMNSA-N 2 1 330.520 1.923 20 0 EDADMP COCCOc1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665291045 453638476 /nfs/dbraw/zinc/63/84/76/453638476.db2.gz SGGJFPVQGPGLEZ-GFCCVEGCSA-N 2 1 332.404 1.517 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000663000316 453642557 /nfs/dbraw/zinc/64/25/57/453642557.db2.gz GFPOLEDQEJLSHE-LPHOPBHVSA-N 2 1 327.472 1.939 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000660934025 453652071 /nfs/dbraw/zinc/65/20/71/453652071.db2.gz JLWNFXFLVNUVFO-ZOBUZTSGSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000660934025 453652075 /nfs/dbraw/zinc/65/20/75/453652075.db2.gz JLWNFXFLVNUVFO-ZOBUZTSGSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000660934025 453652079 /nfs/dbraw/zinc/65/20/79/453652079.db2.gz JLWNFXFLVNUVFO-ZOBUZTSGSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000660934025 453652083 /nfs/dbraw/zinc/65/20/83/453652083.db2.gz JLWNFXFLVNUVFO-ZOBUZTSGSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000660934023 453652287 /nfs/dbraw/zinc/65/22/87/453652287.db2.gz JLWNFXFLVNUVFO-YQQAZPJKSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000660934023 453652289 /nfs/dbraw/zinc/65/22/89/453652289.db2.gz JLWNFXFLVNUVFO-YQQAZPJKSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000660934023 453652292 /nfs/dbraw/zinc/65/22/92/453652292.db2.gz JLWNFXFLVNUVFO-YQQAZPJKSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000660934023 453652296 /nfs/dbraw/zinc/65/22/96/453652296.db2.gz JLWNFXFLVNUVFO-YQQAZPJKSA-N 2 1 338.496 1.412 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665364352 453667942 /nfs/dbraw/zinc/66/79/42/453667942.db2.gz ONPYCKSLCALUQI-MRXNPFEDSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000665364352 453667944 /nfs/dbraw/zinc/66/79/44/453667944.db2.gz ONPYCKSLCALUQI-MRXNPFEDSA-N 2 1 340.512 1.611 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665363980 453668754 /nfs/dbraw/zinc/66/87/54/453668754.db2.gz HAACKKBJVUDGKC-MRXNPFEDSA-N 2 1 340.512 1.347 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665363980 453668757 /nfs/dbraw/zinc/66/87/57/453668757.db2.gz HAACKKBJVUDGKC-MRXNPFEDSA-N 2 1 340.512 1.347 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000665363980 453668760 /nfs/dbraw/zinc/66/87/60/453668760.db2.gz HAACKKBJVUDGKC-MRXNPFEDSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@](C[NH3+])(NC(=O)c1sc2c(c1Br)C[NH2+]C2)C1CC1 ZINC000659296297 453706120 /nfs/dbraw/zinc/70/61/20/453706120.db2.gz KRCYXDMONBKZCQ-CYBMUJFWSA-N 2 1 344.278 1.971 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](CO)Cc2ccccc2)CC1 ZINC000661094973 453713183 /nfs/dbraw/zinc/71/31/83/453713183.db2.gz HPKXFERBHWVESR-IBGZPJMESA-N 2 1 347.503 1.511 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](CO)Cc2ccccc2)CC1 ZINC000661094973 453713184 /nfs/dbraw/zinc/71/31/84/453713184.db2.gz HPKXFERBHWVESR-IBGZPJMESA-N 2 1 347.503 1.511 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)[N@@H+](C)C1 ZINC000671587053 486655941 /nfs/dbraw/zinc/65/59/41/486655941.db2.gz GGLIBVOEUQZHIO-BPUTZDHNSA-N 2 1 326.485 1.077 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000676250299 486708327 /nfs/dbraw/zinc/70/83/27/486708327.db2.gz GJWFPDNQLCWDAN-HRCADAONSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000676250299 486708332 /nfs/dbraw/zinc/70/83/32/486708332.db2.gz GJWFPDNQLCWDAN-HRCADAONSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000676250299 486708336 /nfs/dbraw/zinc/70/83/36/486708336.db2.gz GJWFPDNQLCWDAN-HRCADAONSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000676250299 486708340 /nfs/dbraw/zinc/70/83/40/486708340.db2.gz GJWFPDNQLCWDAN-HRCADAONSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676348040 486743943 /nfs/dbraw/zinc/74/39/43/486743943.db2.gz NDYLLDLFAQIXJM-SZMVWBNQSA-N 2 1 346.475 1.129 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676348040 486743949 /nfs/dbraw/zinc/74/39/49/486743949.db2.gz NDYLLDLFAQIXJM-SZMVWBNQSA-N 2 1 346.475 1.129 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676348040 486743952 /nfs/dbraw/zinc/74/39/52/486743952.db2.gz NDYLLDLFAQIXJM-SZMVWBNQSA-N 2 1 346.475 1.129 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676348040 486743955 /nfs/dbraw/zinc/74/39/55/486743955.db2.gz NDYLLDLFAQIXJM-SZMVWBNQSA-N 2 1 346.475 1.129 20 0 EDADMP C[C@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)[C@H]1C[NH+](C)CCO1 ZINC000683574479 486760482 /nfs/dbraw/zinc/76/04/82/486760482.db2.gz QKOIHYLRIAVMEP-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](NC(=O)NCC[N@H+]1CCCC(C)(C)C1)[C@H]1C[NH+](C)CCO1 ZINC000683574479 486760489 /nfs/dbraw/zinc/76/04/89/486760489.db2.gz QKOIHYLRIAVMEP-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](NC(=O)NCC[NH+]1CCCC(C)(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000683574479 486760491 /nfs/dbraw/zinc/76/04/91/486760491.db2.gz QKOIHYLRIAVMEP-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](NC(=O)NCC[NH+]1CCCC(C)(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000683574479 486760497 /nfs/dbraw/zinc/76/04/97/486760497.db2.gz QKOIHYLRIAVMEP-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)C[C@@H]1Cc1ccccc1 ZINC000672754049 486790611 /nfs/dbraw/zinc/79/06/11/486790611.db2.gz LNLQBPKHWJHPGF-ROUUACIJSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)C[C@@H]1Cc1ccccc1 ZINC000672754049 486790615 /nfs/dbraw/zinc/79/06/15/486790615.db2.gz LNLQBPKHWJHPGF-ROUUACIJSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000672754049 486790619 /nfs/dbraw/zinc/79/06/19/486790619.db2.gz LNLQBPKHWJHPGF-ROUUACIJSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000672754049 486790624 /nfs/dbraw/zinc/79/06/24/486790624.db2.gz LNLQBPKHWJHPGF-ROUUACIJSA-N 2 1 330.476 1.649 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000676543218 486801375 /nfs/dbraw/zinc/80/13/75/486801375.db2.gz ZYLLMFWAOMAGKB-FZKCQIBNSA-N 2 1 326.485 1.077 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000676543218 486801381 /nfs/dbraw/zinc/80/13/81/486801381.db2.gz ZYLLMFWAOMAGKB-FZKCQIBNSA-N 2 1 326.485 1.077 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000676543218 486801387 /nfs/dbraw/zinc/80/13/87/486801387.db2.gz ZYLLMFWAOMAGKB-FZKCQIBNSA-N 2 1 326.485 1.077 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000676543218 486801392 /nfs/dbraw/zinc/80/13/92/486801392.db2.gz ZYLLMFWAOMAGKB-FZKCQIBNSA-N 2 1 326.485 1.077 20 0 EDADMP C[C@H](CCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)[NH+]1CCCCC1 ZINC000673015669 486880463 /nfs/dbraw/zinc/88/04/63/486880463.db2.gz ZKVYLQIRCHJJMH-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H](c2ccccc2)C1 ZINC000431025474 486902463 /nfs/dbraw/zinc/90/24/63/486902463.db2.gz SYFLVIGUSQPXCY-CEXWTWQISA-N 2 1 344.503 1.609 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H](c2ccccc2)C1 ZINC000431025474 486902469 /nfs/dbraw/zinc/90/24/69/486902469.db2.gz SYFLVIGUSQPXCY-CEXWTWQISA-N 2 1 344.503 1.609 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H](c2ccccc2)C1 ZINC000431025474 486902476 /nfs/dbraw/zinc/90/24/76/486902476.db2.gz SYFLVIGUSQPXCY-CEXWTWQISA-N 2 1 344.503 1.609 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000681257422 486992674 /nfs/dbraw/zinc/99/26/74/486992674.db2.gz LECBGGIATJZVOF-UKRRQHHQSA-N 2 1 338.496 1.094 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681274427 486998370 /nfs/dbraw/zinc/99/83/70/486998370.db2.gz OUXLYXQMHGEWDN-RDJZCZTQSA-N 2 1 338.540 1.780 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681274427 486998372 /nfs/dbraw/zinc/99/83/72/486998372.db2.gz OUXLYXQMHGEWDN-RDJZCZTQSA-N 2 1 338.540 1.780 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000673531107 487050026 /nfs/dbraw/zinc/05/00/26/487050026.db2.gz NEJXKSFXALAABQ-QZTJIDSGSA-N 2 1 331.460 1.224 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000673531107 487050030 /nfs/dbraw/zinc/05/00/30/487050030.db2.gz NEJXKSFXALAABQ-QZTJIDSGSA-N 2 1 331.460 1.224 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000684442097 487062265 /nfs/dbraw/zinc/06/22/65/487062265.db2.gz VJHRWAGFWRIRKT-GFCCVEGCSA-N 2 1 344.463 1.683 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)CC[N@H+]1C ZINC000678699396 487353059 /nfs/dbraw/zinc/35/30/59/487353059.db2.gz NPRQAAVNYZYJCF-HIFRSBDPSA-N 2 1 341.477 1.509 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000682661273 487402598 /nfs/dbraw/zinc/40/25/98/487402598.db2.gz OQVBRBOCHBICBC-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000682661273 487402599 /nfs/dbraw/zinc/40/25/99/487402599.db2.gz OQVBRBOCHBICBC-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000682876288 487425240 /nfs/dbraw/zinc/42/52/40/487425240.db2.gz GBSGGTGSNJMHMU-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000682876288 487425242 /nfs/dbraw/zinc/42/52/42/487425242.db2.gz GBSGGTGSNJMHMU-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000669534035 485511877 /nfs/dbraw/zinc/51/18/77/485511877.db2.gz CCMKJHKMVFDDAT-YLFCFFPRSA-N 2 1 338.496 1.447 20 0 EDADMP C[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000669556932 485560105 /nfs/dbraw/zinc/56/01/05/485560105.db2.gz OJAVPKFXEAHNGO-XOYOTBSWSA-N 2 1 330.476 1.934 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)CCC(F)(F)F ZINC000669570123 485587766 /nfs/dbraw/zinc/58/77/66/485587766.db2.gz RQJSDMJKUXAZPG-VXGBXAGGSA-N 2 1 340.390 1.018 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000669600537 485676464 /nfs/dbraw/zinc/67/64/64/485676464.db2.gz WXYQJSOEUWRLHR-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP C[NH+]1CCN(CC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000669622474 485840966 /nfs/dbraw/zinc/84/09/66/485840966.db2.gz MZCXTYHUYNIORO-UHFFFAOYSA-N 2 1 336.524 1.396 20 0 EDADMP O=C(c1cccn1C1CC[NH2+]CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000327331774 485862106 /nfs/dbraw/zinc/86/21/06/485862106.db2.gz GSFOBBYNOZEZEV-QGZVFWFLSA-N 2 1 346.475 1.349 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000668657129 486004049 /nfs/dbraw/zinc/00/40/49/486004049.db2.gz MCKQABJNMRVZTG-MELADBBJSA-N 2 1 339.509 1.072 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669366062 486013010 /nfs/dbraw/zinc/01/30/10/486013010.db2.gz VAAXHUJIARLCAC-VVLHAWIVSA-N 2 1 340.512 1.502 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000423924973 486015213 /nfs/dbraw/zinc/01/52/13/486015213.db2.gz APRQBACOVRPIHG-ZMSDIMECSA-N 2 1 333.480 1.404 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)NC[C@H]1CCCC[NH2+]1 ZINC000669396801 486053557 /nfs/dbraw/zinc/05/35/57/486053557.db2.gz XJNVIUQRPQSGAJ-GOSISDBHSA-N 2 1 346.475 1.460 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000669406517 486080772 /nfs/dbraw/zinc/08/07/72/486080772.db2.gz UMENZPBDUBHKBM-QLFBSQMISA-N 2 1 326.485 1.255 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](OC)C1CCC1 ZINC000667812294 486089905 /nfs/dbraw/zinc/08/99/05/486089905.db2.gz IVGVTALTLZIKEX-IAGOWNOFSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)C1CCSCC1 ZINC000681738185 486555440 /nfs/dbraw/zinc/55/54/40/486555440.db2.gz HPQIPZPBZRJGMA-RDJZCZTQSA-N 2 1 327.538 1.514 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000080676116 491173610 /nfs/dbraw/zinc/17/36/10/491173610.db2.gz UOZGUTMNBADJAY-MRXNPFEDSA-N 2 1 328.501 1.469 20 0 EDADMP COC(=O)c1ccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130447242 534200139 /nfs/dbraw/zinc/20/01/39/534200139.db2.gz FPTHPHVXBLSBJN-UHFFFAOYSA-N 2 1 344.415 1.939 20 0 EDADMP COC(=O)c1ccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130447242 534200149 /nfs/dbraw/zinc/20/01/49/534200149.db2.gz FPTHPHVXBLSBJN-UHFFFAOYSA-N 2 1 344.415 1.939 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H]1c1cccs1 ZINC000245424810 536440795 /nfs/dbraw/zinc/44/07/95/536440795.db2.gz KIAWLDFISCFYNI-IJEWVQPXSA-N 2 1 337.489 1.578 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1cccs1 ZINC000245424810 536440799 /nfs/dbraw/zinc/44/07/99/536440799.db2.gz KIAWLDFISCFYNI-IJEWVQPXSA-N 2 1 337.489 1.578 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000245424810 536440801 /nfs/dbraw/zinc/44/08/01/536440801.db2.gz KIAWLDFISCFYNI-IJEWVQPXSA-N 2 1 337.489 1.578 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000245424810 536440806 /nfs/dbraw/zinc/44/08/06/536440806.db2.gz KIAWLDFISCFYNI-IJEWVQPXSA-N 2 1 337.489 1.578 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158813536 527819263 /nfs/dbraw/zinc/81/92/63/527819263.db2.gz NAZUJBDRVRKKKA-HKUYNNGSSA-N 2 1 346.519 1.679 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000352936938 536543788 /nfs/dbraw/zinc/54/37/88/536543788.db2.gz DABMRTOFZHNXKJ-KRWDZBQOSA-N 2 1 325.497 1.868 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000262682113 535010818 /nfs/dbraw/zinc/01/08/18/535010818.db2.gz YEVPURVTNHRGOF-NJAFHUGGSA-N 2 1 333.476 1.796 20 0 EDADMP CC(C)C[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000236629656 535307929 /nfs/dbraw/zinc/30/79/29/535307929.db2.gz DQSBJCOMPDWBEE-QZTJIDSGSA-N 2 1 333.476 1.940 20 0 EDADMP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)N1CCOCC1 ZINC000343252774 535313129 /nfs/dbraw/zinc/31/31/29/535313129.db2.gz UCYQEBXEKLOLTO-MKXGPGLRSA-N 2 1 339.524 1.480 20 0 EDADMP CC(C)[C@H](C(=O)NC1CC[NH+](C2CC2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248262747 535325618 /nfs/dbraw/zinc/32/56/18/535325618.db2.gz WRSQQLPIHUVXFV-IIDMSEBBSA-N 2 1 337.508 1.863 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000339961454 535571732 /nfs/dbraw/zinc/57/17/32/535571732.db2.gz AUBODGSXHOKESI-CYBMUJFWSA-N 2 1 331.420 1.428 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3[C@H](C)CCC[C@H]3C)C2)CC1 ZINC000245935006 535734211 /nfs/dbraw/zinc/73/42/11/535734211.db2.gz RSAABAJTHLMFQD-KZNAEPCWSA-N 2 1 336.524 1.488 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000347991532 536179624 /nfs/dbraw/zinc/17/96/24/536179624.db2.gz MWZHYDDOKZMGAS-BZSNNMDCSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000347991532 536179626 /nfs/dbraw/zinc/17/96/26/536179626.db2.gz MWZHYDDOKZMGAS-BZSNNMDCSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000347991532 536179629 /nfs/dbraw/zinc/17/96/29/536179629.db2.gz MWZHYDDOKZMGAS-BZSNNMDCSA-N 2 1 334.508 1.987 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)CC[C@H]21 ZINC000262188591 536378992 /nfs/dbraw/zinc/37/89/92/536378992.db2.gz JLLIYDSIEQVIEA-DKSSEZFCSA-N 2 1 340.471 1.980 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000262964768 536570339 /nfs/dbraw/zinc/57/03/39/536570339.db2.gz WYBRQEYEBDUSDS-JHDROBOHSA-N 2 1 333.476 1.623 20 0 EDADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)c2C)cc1 ZINC000263157138 536591200 /nfs/dbraw/zinc/59/12/00/536591200.db2.gz DOJLMSQYGZWJNR-LPHOPBHVSA-N 2 1 344.459 1.227 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)N(C)C(C)C)CC1 ZINC000347583932 536777976 /nfs/dbraw/zinc/77/79/76/536777976.db2.gz GOVSSHQQKHTMFS-UHFFFAOYSA-N 2 1 327.513 1.924 20 0 EDADMP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741216717 579401407 /nfs/dbraw/zinc/40/14/07/579401407.db2.gz VTXKMYZQRGYORU-QZTJIDSGSA-N 2 1 333.476 1.590 20 0 EDADMP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741216717 579401409 /nfs/dbraw/zinc/40/14/09/579401409.db2.gz VTXKMYZQRGYORU-QZTJIDSGSA-N 2 1 333.476 1.590 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000742238647 579444446 /nfs/dbraw/zinc/44/44/46/579444446.db2.gz GGDVBJLLCQKWJT-MJGOQNOKSA-N 2 1 344.503 1.576 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000742238647 579444447 /nfs/dbraw/zinc/44/44/47/579444447.db2.gz GGDVBJLLCQKWJT-MJGOQNOKSA-N 2 1 344.503 1.576 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1Cc2ccccc2C1 ZINC000743590761 579484749 /nfs/dbraw/zinc/48/47/49/579484749.db2.gz ULAQTFXUWQGNST-QGZVFWFLSA-N 2 1 332.517 1.951 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1Cc2ccccc2C1 ZINC000743590761 579484751 /nfs/dbraw/zinc/48/47/51/579484751.db2.gz ULAQTFXUWQGNST-QGZVFWFLSA-N 2 1 332.517 1.951 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)CC[C@H](C)O)cc2)CC1 ZINC000743852514 579492434 /nfs/dbraw/zinc/49/24/34/579492434.db2.gz OOVNVZIFYSKEHQ-INIZCTEOSA-N 2 1 348.491 1.470 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)CC[C@H](C)O)cc2)CC1 ZINC000743852514 579492435 /nfs/dbraw/zinc/49/24/35/579492435.db2.gz OOVNVZIFYSKEHQ-INIZCTEOSA-N 2 1 348.491 1.470 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H](O)C3)cc2)CC1 ZINC000726877654 578366940 /nfs/dbraw/zinc/36/69/40/578366940.db2.gz SATPDBKLACVKBJ-GOSISDBHSA-N 2 1 346.475 1.224 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](O)C3)cc2)CC1 ZINC000726877654 578366941 /nfs/dbraw/zinc/36/69/41/578366941.db2.gz SATPDBKLACVKBJ-GOSISDBHSA-N 2 1 346.475 1.224 20 0 EDADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C(=O)N[C@@](C)(C(C)C)C2=O)CC1 ZINC000738088319 578540608 /nfs/dbraw/zinc/54/06/08/578540608.db2.gz AZPSUBIWHUSUFO-SFHVURJKSA-N 2 1 338.496 1.963 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C(=O)N[C@@](C)(C(C)C)C2=O)CC1 ZINC000738088319 578540609 /nfs/dbraw/zinc/54/06/09/578540609.db2.gz AZPSUBIWHUSUFO-SFHVURJKSA-N 2 1 338.496 1.963 20 0 EDADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=S)NCCC[NH+]1CCOCC1 ZINC000730731762 578656489 /nfs/dbraw/zinc/65/64/89/578656489.db2.gz MTUMPNPJWPWLSZ-HZPDHXFCSA-N 2 1 342.553 1.436 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734268968 578805759 /nfs/dbraw/zinc/80/57/59/578805759.db2.gz DSBYUAMTLUFWTH-QGZVFWFLSA-N 2 1 349.479 1.524 20 0 EDADMP CC[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC000735385284 578880789 /nfs/dbraw/zinc/88/07/89/578880789.db2.gz XHROFPCUHRCZLN-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736759845 579018262 /nfs/dbraw/zinc/01/82/62/579018262.db2.gz XPBTZDHKOJRALO-ZDUSSCGKSA-N 2 1 343.435 1.079 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000761100098 580048054 /nfs/dbraw/zinc/04/80/54/580048054.db2.gz WJVZXLSYLNBHGO-QAPCUYQASA-N 2 1 328.460 1.861 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000761100098 580048055 /nfs/dbraw/zinc/04/80/55/580048055.db2.gz WJVZXLSYLNBHGO-QAPCUYQASA-N 2 1 328.460 1.861 20 0 EDADMP C[NH+]1CCC2(CCN2C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000748324928 579679605 /nfs/dbraw/zinc/67/96/05/579679605.db2.gz UTRNOZQZWDQXKK-GOSISDBHSA-N 2 1 342.487 1.990 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@]1([NH+](C)C)CCSC1 ZINC000748603439 579694826 /nfs/dbraw/zinc/69/48/26/579694826.db2.gz VVBHLZVGKGRSOT-HIFRSBDPSA-N 2 1 330.567 1.372 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000749512481 579729077 /nfs/dbraw/zinc/72/90/77/579729077.db2.gz AIPARBZFDARIKL-QFBILLFUSA-N 2 1 343.471 1.999 20 0 EDADMP NC(=O)COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000749512481 579729078 /nfs/dbraw/zinc/72/90/78/579729078.db2.gz AIPARBZFDARIKL-QFBILLFUSA-N 2 1 343.471 1.999 20 0 EDADMP NC(=O)COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000749512481 579729079 /nfs/dbraw/zinc/72/90/79/579729079.db2.gz AIPARBZFDARIKL-QFBILLFUSA-N 2 1 343.471 1.999 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3nccc(C)n3)CC2)CC1 ZINC000755218430 579923065 /nfs/dbraw/zinc/92/30/65/579923065.db2.gz LVAGPFOHRXWJES-UHFFFAOYSA-N 2 1 345.491 1.565 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)c2cc(OC)ccc2OC)CC1 ZINC000764770387 580128413 /nfs/dbraw/zinc/12/84/13/580128413.db2.gz BHUDIWVPBYEXQN-QGZVFWFLSA-N 2 1 338.448 1.438 20 0 EDADMP CC(C)N(C(=O)CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1)C(C)C ZINC000779654535 580493535 /nfs/dbraw/zinc/49/35/35/580493535.db2.gz OPGQEHQVOOIPKB-CQSZACIVSA-N 2 1 328.457 1.239 20 0 EDADMP CC(C)N(C(=O)CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1)C(C)C ZINC000779654535 580493536 /nfs/dbraw/zinc/49/35/36/580493536.db2.gz OPGQEHQVOOIPKB-CQSZACIVSA-N 2 1 328.457 1.239 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)Nc2cccc(F)c2)C1 ZINC000779655798 580493561 /nfs/dbraw/zinc/49/35/61/580493561.db2.gz VVFQEXCWXLBGBM-AWEZNQCLSA-N 2 1 338.383 1.372 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)Nc2cccc(F)c2)C1 ZINC000779655798 580493562 /nfs/dbraw/zinc/49/35/62/580493562.db2.gz VVFQEXCWXLBGBM-AWEZNQCLSA-N 2 1 338.383 1.372 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC=CO1 ZINC000780748201 580532880 /nfs/dbraw/zinc/53/28/80/580532880.db2.gz KQXXZONUUJBXAO-SJORKVTESA-N 2 1 338.496 1.737 20 0 EDADMP CCNS(=O)(=O)CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780879170 580536347 /nfs/dbraw/zinc/53/63/47/580536347.db2.gz RXPXKRBIFBWCJH-NVXWUHKLSA-N 2 1 339.505 1.426 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000783920778 580608439 /nfs/dbraw/zinc/60/84/39/580608439.db2.gz OUMCYDGELIINPA-WMZOPIPTSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000783920778 580608440 /nfs/dbraw/zinc/60/84/40/580608440.db2.gz OUMCYDGELIINPA-WMZOPIPTSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000783920778 580608441 /nfs/dbraw/zinc/60/84/41/580608441.db2.gz OUMCYDGELIINPA-WMZOPIPTSA-N 2 1 330.476 1.894 20 0 EDADMP c1cc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(-c2nn[nH]n2)c1 ZINC000738418957 598866541 /nfs/dbraw/zinc/86/65/41/598866541.db2.gz JXCRDHKQDJRKSZ-OAHLLOKOSA-N 2 1 342.447 1.663 20 0 EDADMP c1cc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(-c2nn[nH]n2)c1 ZINC000738418957 598866543 /nfs/dbraw/zinc/86/65/43/598866543.db2.gz JXCRDHKQDJRKSZ-OAHLLOKOSA-N 2 1 342.447 1.663 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891910985 590682200 /nfs/dbraw/zinc/68/22/00/590682200.db2.gz XEBSNQUQYQXPAE-UPJWGTAASA-N 2 1 338.418 1.885 20 0 EDADMP C[NH+]1CCN(C2CCN(C(=O)NCC3([NH3+])CCCCC3)CC2)CC1 ZINC000891977682 590719987 /nfs/dbraw/zinc/71/99/87/590719987.db2.gz NUCMMNSPVQPKLX-UHFFFAOYSA-N 2 1 337.512 1.069 20 0 EDADMP CC[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000891997208 590736058 /nfs/dbraw/zinc/73/60/58/590736058.db2.gz XHBZGLJRKQNLQS-QGZVFWFLSA-N 2 1 334.464 1.105 20 0 EDADMP CC[NH2+]CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000891997208 590736063 /nfs/dbraw/zinc/73/60/63/590736063.db2.gz XHBZGLJRKQNLQS-QGZVFWFLSA-N 2 1 334.464 1.105 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893320813 590777715 /nfs/dbraw/zinc/77/77/15/590777715.db2.gz RVMMJOAZZMGDOQ-JKSUJKDBSA-N 2 1 329.460 1.237 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000893398225 590843370 /nfs/dbraw/zinc/84/33/70/590843370.db2.gz HXNIXWZMUZNKMY-INIZCTEOSA-N 2 1 340.512 1.517 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000892175279 590845136 /nfs/dbraw/zinc/84/51/36/590845136.db2.gz LMXXGFOIXPBQCR-HNNXBMFYSA-N 2 1 344.415 1.272 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892469754 591038423 /nfs/dbraw/zinc/03/84/23/591038423.db2.gz KEOKYPKGWLYNGP-UHFFFAOYSA-N 2 1 337.512 1.020 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892469754 591038428 /nfs/dbraw/zinc/03/84/28/591038428.db2.gz KEOKYPKGWLYNGP-UHFFFAOYSA-N 2 1 337.512 1.020 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892484146 591044008 /nfs/dbraw/zinc/04/40/08/591044008.db2.gz ZONIUBYTKAXDLA-INIZCTEOSA-N 2 1 341.544 1.290 20 0 EDADMP CN(CCCN(C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)CC[NH+](C)C ZINC000892484146 591044011 /nfs/dbraw/zinc/04/40/11/591044011.db2.gz ZONIUBYTKAXDLA-INIZCTEOSA-N 2 1 341.544 1.290 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000893699349 591051925 /nfs/dbraw/zinc/05/19/25/591051925.db2.gz KYZDNYUPKSURIP-IAGOWNOFSA-N 2 1 340.512 1.707 20 0 EDADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000891363375 591061084 /nfs/dbraw/zinc/06/10/84/591061084.db2.gz GUSUDPGKUNEARR-OKZBNKHCSA-N 2 1 328.460 1.627 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1C(F)(F)F ZINC000891364816 591062006 /nfs/dbraw/zinc/06/20/06/591062006.db2.gz YKMWXSWVRWDUGW-LPWJVIDDSA-N 2 1 334.386 1.392 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NC(C)(C)C[NH3+])C1 ZINC000892536083 591063303 /nfs/dbraw/zinc/06/33/03/591063303.db2.gz MOHSVPVDLODHGJ-MRXNPFEDSA-N 2 1 334.464 1.232 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NC(C)(C)C[NH3+])C1 ZINC000892536083 591063308 /nfs/dbraw/zinc/06/33/08/591063308.db2.gz MOHSVPVDLODHGJ-MRXNPFEDSA-N 2 1 334.464 1.232 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892563224 591073953 /nfs/dbraw/zinc/07/39/53/591073953.db2.gz PZWFPDMNLBNCOZ-IRXDYDNUSA-N 2 1 343.487 1.627 20 0 EDADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000891544756 591118357 /nfs/dbraw/zinc/11/83/57/591118357.db2.gz DHLCRHVXJUDRSC-KRWDZBQOSA-N 2 1 332.448 1.445 20 0 EDADMP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000891544758 591118698 /nfs/dbraw/zinc/11/86/98/591118698.db2.gz DHLCRHVXJUDRSC-QGZVFWFLSA-N 2 1 332.448 1.445 20 0 EDADMP C[N@H+]1C[C@@H](CNC(=O)NCCn2ccnc2)[C@H](c2ccccc2)C1 ZINC000891558593 591124980 /nfs/dbraw/zinc/12/49/80/591124980.db2.gz RCINGOHRWGZROV-SJORKVTESA-N 2 1 327.432 1.528 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000891590892 591138448 /nfs/dbraw/zinc/13/84/48/591138448.db2.gz FCCFTIZQWMIRNC-NRSFXHEJSA-N 2 1 346.475 1.312 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000891590892 591138450 /nfs/dbraw/zinc/13/84/50/591138450.db2.gz FCCFTIZQWMIRNC-NRSFXHEJSA-N 2 1 346.475 1.312 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCC1(C)C ZINC000892759609 591164700 /nfs/dbraw/zinc/16/47/00/591164700.db2.gz KEZMXTSJWRDZJO-OAHLLOKOSA-N 2 1 338.496 1.271 20 0 EDADMP CN1CCN(c2ccc(CNc3nc(N)nc(C4CC4)n3)cn2)CC1 ZINC000891666969 591177797 /nfs/dbraw/zinc/17/77/97/591177797.db2.gz DQFPPQOGUYYWCU-UHFFFAOYSA-N 2 1 340.435 1.090 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)CC[C@H]21 ZINC000892804295 591183494 /nfs/dbraw/zinc/18/34/94/591183494.db2.gz SFLPBPUDQRHZCN-CEXWTWQISA-N 2 1 342.487 1.827 20 0 EDADMP C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000891757894 591214149 /nfs/dbraw/zinc/21/41/49/591214149.db2.gz ADALDFRRUNCGKE-BGTYHANMSA-N 2 1 328.460 1.653 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000895665768 591246750 /nfs/dbraw/zinc/24/67/50/591246750.db2.gz GBGWQMXEVKPWPE-UAGQMJEPSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000895665768 591246752 /nfs/dbraw/zinc/24/67/52/591246752.db2.gz GBGWQMXEVKPWPE-UAGQMJEPSA-N 2 1 340.512 1.515 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000893025424 591258785 /nfs/dbraw/zinc/25/87/85/591258785.db2.gz ZYDBDMBQVGLEJX-MRXNPFEDSA-N 2 1 339.528 1.232 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000893025424 591258786 /nfs/dbraw/zinc/25/87/86/591258786.db2.gz ZYDBDMBQVGLEJX-MRXNPFEDSA-N 2 1 339.528 1.232 20 0 EDADMP O=C1NCCN1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895815122 591279578 /nfs/dbraw/zinc/27/95/78/591279578.db2.gz WZFLBJCEYBHCLU-WMZOPIPTSA-N 2 1 328.460 1.969 20 0 EDADMP O=C1NCCN1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895815122 591279579 /nfs/dbraw/zinc/27/95/79/591279579.db2.gz WZFLBJCEYBHCLU-WMZOPIPTSA-N 2 1 328.460 1.969 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897407808 591368440 /nfs/dbraw/zinc/36/84/40/591368440.db2.gz DSDDMYWPYDCOQJ-LZQZEXGQSA-N 2 1 343.471 1.344 20 0 EDADMP Cc1ccnc(N)c1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000894788134 591419156 /nfs/dbraw/zinc/41/91/56/591419156.db2.gz XUWITFGRHVGEMI-UHFFFAOYSA-N 2 1 329.448 1.988 20 0 EDADMP CC1(C)CC[N@@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000896609751 591552280 /nfs/dbraw/zinc/55/22/80/591552280.db2.gz QHYVLUZNUSRIOF-CABCVRRESA-N 2 1 340.537 1.597 20 0 EDADMP CC1(C)CC[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000896609751 591552284 /nfs/dbraw/zinc/55/22/84/591552284.db2.gz QHYVLUZNUSRIOF-CABCVRRESA-N 2 1 340.537 1.597 20 0 EDADMP CC1(C)CC[NH+](CCNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000896609751 591552287 /nfs/dbraw/zinc/55/22/87/591552287.db2.gz QHYVLUZNUSRIOF-CABCVRRESA-N 2 1 340.537 1.597 20 0 EDADMP CC1(C)CC[N@@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000896747656 591601451 /nfs/dbraw/zinc/60/14/51/591601451.db2.gz FQAZLCXZDHXSEX-INIZCTEOSA-N 2 1 338.496 1.271 20 0 EDADMP CC1(C)CC[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000896747656 591601455 /nfs/dbraw/zinc/60/14/55/591601455.db2.gz FQAZLCXZDHXSEX-INIZCTEOSA-N 2 1 338.496 1.271 20 0 EDADMP CC1(C)CC[NH+](CCNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000896747656 591601456 /nfs/dbraw/zinc/60/14/56/591601456.db2.gz FQAZLCXZDHXSEX-INIZCTEOSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000896747739 591601738 /nfs/dbraw/zinc/60/17/38/591601738.db2.gz HMPKDOGJHINRJX-BRWVUGGUSA-N 2 1 336.480 1.118 20 0 EDADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896747739 591601742 /nfs/dbraw/zinc/60/17/42/591601742.db2.gz HMPKDOGJHINRJX-BRWVUGGUSA-N 2 1 336.480 1.118 20 0 EDADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896747739 591601744 /nfs/dbraw/zinc/60/17/44/591601744.db2.gz HMPKDOGJHINRJX-BRWVUGGUSA-N 2 1 336.480 1.118 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000899046667 591656494 /nfs/dbraw/zinc/65/64/94/591656494.db2.gz YFVRMRMFLDQVKD-UHFFFAOYSA-N 2 1 332.795 1.855 20 0 EDADMP C[N@H+]1C[C@@H]2CN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000899252741 591745977 /nfs/dbraw/zinc/74/59/77/591745977.db2.gz IXMSQXIXCWCTSU-DWQUBVKVSA-N 2 1 331.391 1.341 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCCc2nnnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000898040018 591765847 /nfs/dbraw/zinc/76/58/47/591765847.db2.gz MOBMYLQMTVZYMH-RDJZCZTQSA-N 2 1 328.464 1.785 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCCc2nnnn2C)CC[N@H+]1Cc1ccccc1 ZINC000898040018 591765850 /nfs/dbraw/zinc/76/58/50/591765850.db2.gz MOBMYLQMTVZYMH-RDJZCZTQSA-N 2 1 328.464 1.785 20 0 EDADMP C[NH+](C)CCCOc1ccc(CNC(=O)CC[NH+]2CCOCC2)cc1 ZINC000728552832 591777446 /nfs/dbraw/zinc/77/74/46/591777446.db2.gz LEXMIOKSFNZDDZ-UHFFFAOYSA-N 2 1 349.475 1.356 20 0 EDADMP O=c1c(CNC[C@H]2CC[N@@H+]2C2CCOCC2)cccn1C(F)F ZINC000897228306 591778718 /nfs/dbraw/zinc/77/87/18/591778718.db2.gz JUNBPAQTEUTULS-CQSZACIVSA-N 2 1 327.375 1.586 20 0 EDADMP O=c1c(CNC[C@H]2CC[N@H+]2C2CCOCC2)cccn1C(F)F ZINC000897228306 591778719 /nfs/dbraw/zinc/77/87/19/591778719.db2.gz JUNBPAQTEUTULS-CQSZACIVSA-N 2 1 327.375 1.586 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000899961403 591840160 /nfs/dbraw/zinc/84/01/60/591840160.db2.gz OSLAAXXVGWOTSP-MAUKXSAKSA-N 2 1 335.448 1.380 20 0 EDADMP C[C@@H]1C[C@H](NCc2cccc(N(C)S(C)(=O)=O)c2)C[N@@H+]1C1CC1 ZINC000898286465 591852918 /nfs/dbraw/zinc/85/29/18/591852918.db2.gz HMBRCRZWFKTPHW-HIFRSBDPSA-N 2 1 337.489 1.797 20 0 EDADMP C[C@@H]1C[C@H](NCc2cccc(N(C)S(C)(=O)=O)c2)C[N@H+]1C1CC1 ZINC000898286465 591852923 /nfs/dbraw/zinc/85/29/23/591852923.db2.gz HMBRCRZWFKTPHW-HIFRSBDPSA-N 2 1 337.489 1.797 20 0 EDADMP C[C@H](C(=O)NCC[N@@H+](C)CCO)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000899733877 591929510 /nfs/dbraw/zinc/92/95/10/591929510.db2.gz LTIOJIJXCRCQNH-QGZVFWFLSA-N 2 1 347.503 1.370 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000900210164 591943971 /nfs/dbraw/zinc/94/39/71/591943971.db2.gz XTNSZXVEMKRLGX-AOCRQIFASA-N 2 1 337.508 1.726 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000900410547 592010697 /nfs/dbraw/zinc/01/06/97/592010697.db2.gz VGGABVOXHKLXHM-JKSUJKDBSA-N 2 1 339.480 1.108 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000900410547 592010700 /nfs/dbraw/zinc/01/07/00/592010700.db2.gz VGGABVOXHKLXHM-JKSUJKDBSA-N 2 1 339.480 1.108 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000900410547 592010702 /nfs/dbraw/zinc/01/07/02/592010702.db2.gz VGGABVOXHKLXHM-JKSUJKDBSA-N 2 1 339.480 1.108 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000900410547 592010705 /nfs/dbraw/zinc/01/07/05/592010705.db2.gz VGGABVOXHKLXHM-JKSUJKDBSA-N 2 1 339.480 1.108 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000900537146 592050718 /nfs/dbraw/zinc/05/07/18/592050718.db2.gz DXYHNTUDKPTEGB-IEBWSBKVSA-N 2 1 337.508 1.556 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000900563580 592053317 /nfs/dbraw/zinc/05/33/17/592053317.db2.gz YJZONEQDHIDQEV-SCTDSRPQSA-N 2 1 337.508 1.556 20 0 EDADMP CN1CC[NH+](CC2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)CC1 ZINC000900646190 592087401 /nfs/dbraw/zinc/08/74/01/592087401.db2.gz XOYRENULWSILPX-RBUKOAKNSA-N 2 1 348.535 1.489 20 0 EDADMP CN1CC[NH+](CC2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)CC1 ZINC000900646189 592087704 /nfs/dbraw/zinc/08/77/04/592087704.db2.gz XOYRENULWSILPX-OALUTQOASA-N 2 1 348.535 1.489 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900682777 592093114 /nfs/dbraw/zinc/09/31/14/592093114.db2.gz HUCPHQODPPHBCT-ROUUACIJSA-N 3 1 338.540 1.735 20 0 EDADMP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000903188577 592135501 /nfs/dbraw/zinc/13/55/01/592135501.db2.gz GOJXXRAGQTVQLS-LSDHHAIUSA-N 2 1 343.537 1.843 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000900825752 592138843 /nfs/dbraw/zinc/13/88/43/592138843.db2.gz BRVWNOLLNTZGPT-KRWDZBQOSA-N 2 1 340.556 1.885 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[C@H]1C ZINC000900846074 592145662 /nfs/dbraw/zinc/14/56/62/592145662.db2.gz PDGUAHYWPHUTCA-CABCVRRESA-N 2 1 344.459 1.818 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[C@H]1C ZINC000900846074 592145665 /nfs/dbraw/zinc/14/56/65/592145665.db2.gz PDGUAHYWPHUTCA-CABCVRRESA-N 2 1 344.459 1.818 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000900898895 592164595 /nfs/dbraw/zinc/16/45/95/592164595.db2.gz NBSGVLJMESHXQE-YLJYHZDGSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000900898895 592164597 /nfs/dbraw/zinc/16/45/97/592164597.db2.gz NBSGVLJMESHXQE-YLJYHZDGSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000900898895 592164598 /nfs/dbraw/zinc/16/45/98/592164598.db2.gz NBSGVLJMESHXQE-YLJYHZDGSA-N 2 1 345.487 1.612 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900925580 592175545 /nfs/dbraw/zinc/17/55/45/592175545.db2.gz MWJHOLPKEIIMKV-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H]1CCN(c3ccccc3)C1=O)C2 ZINC000903493099 592185583 /nfs/dbraw/zinc/18/55/83/592185583.db2.gz UHCXHPATVAGXFE-MVWRLGRASA-N 2 1 343.427 1.004 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494723 592186772 /nfs/dbraw/zinc/18/67/72/592186772.db2.gz LYXFZJQKDXFEAD-HZSPNIEDSA-N 2 1 333.432 1.702 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903496564 592187884 /nfs/dbraw/zinc/18/78/84/592187884.db2.gz SLEHBLNQRFOGST-CHWSQXEVSA-N 2 1 334.420 1.260 20 0 EDADMP O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)Nc1ccc(O)cc1 ZINC000903510452 592190866 /nfs/dbraw/zinc/19/08/66/592190866.db2.gz QBOPQVNUOBJGSS-CALCHBBNSA-N 2 1 344.459 1.231 20 0 EDADMP c1cc2c(cc1CN1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC[NH2+]CC1)C[NH2+]CC2 ZINC000903506984 592198886 /nfs/dbraw/zinc/19/88/86/592198886.db2.gz HWAQMSMMARKGOT-OYRHEFFESA-N 3 1 340.515 1.733 20 0 EDADMP c1cc2c(cc1C[N@H+]1C[C@H]3CC[C@@H](C1)N3C1CC[NH2+]CC1)C[NH2+]CC2 ZINC000903506984 592198888 /nfs/dbraw/zinc/19/88/88/592198888.db2.gz HWAQMSMMARKGOT-OYRHEFFESA-N 3 1 340.515 1.733 20 0 EDADMP c1cc2c(cc1C[N@@H+]1C[C@H]3CC[C@@H](C1)N3C1CC[NH2+]CC1)C[NH2+]CC2 ZINC000903506984 592198889 /nfs/dbraw/zinc/19/88/89/592198889.db2.gz HWAQMSMMARKGOT-OYRHEFFESA-N 3 1 340.515 1.733 20 0 EDADMP CCC[C@@H](C)CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562392 592210765 /nfs/dbraw/zinc/21/07/65/592210765.db2.gz LGYKQTYAYOGKAG-OIISXLGYSA-N 2 1 343.537 1.653 20 0 EDADMP CCC[C@@H](C)CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562392 592210766 /nfs/dbraw/zinc/21/07/66/592210766.db2.gz LGYKQTYAYOGKAG-OIISXLGYSA-N 2 1 343.537 1.653 20 0 EDADMP CN(C(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901074593 592224137 /nfs/dbraw/zinc/22/41/37/592224137.db2.gz GROZKYTXBFUWMF-AOIWGVFYSA-N 2 1 331.460 1.174 20 0 EDADMP CN(C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000901074593 592224139 /nfs/dbraw/zinc/22/41/39/592224139.db2.gz GROZKYTXBFUWMF-AOIWGVFYSA-N 2 1 331.460 1.174 20 0 EDADMP CN(C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000901074593 592224141 /nfs/dbraw/zinc/22/41/41/592224141.db2.gz GROZKYTXBFUWMF-AOIWGVFYSA-N 2 1 331.460 1.174 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000906656738 592239165 /nfs/dbraw/zinc/23/91/65/592239165.db2.gz SXSJQYRSTKXGHZ-MRXNPFEDSA-N 2 1 344.459 1.516 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000906656738 592239169 /nfs/dbraw/zinc/23/91/69/592239169.db2.gz SXSJQYRSTKXGHZ-MRXNPFEDSA-N 2 1 344.459 1.516 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906658121 592240154 /nfs/dbraw/zinc/24/01/54/592240154.db2.gz VTEOIRLSINTRIL-BLLLJJGKSA-N 2 1 344.459 1.418 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)C[C@]2(C)C1 ZINC000904513740 592275657 /nfs/dbraw/zinc/27/56/57/592275657.db2.gz IGRBWYGYFFCHHA-ACJLOTCBSA-N 2 1 332.423 1.887 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903726052 592285223 /nfs/dbraw/zinc/28/52/23/592285223.db2.gz JWHSXBKCIMXHKR-ZMMAXQRCSA-N 2 1 337.508 1.772 20 0 EDADMP Cc1nc(C[C@@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903730301 592287098 /nfs/dbraw/zinc/28/70/98/592287098.db2.gz VGSPHHKHJABEPK-JKSUJKDBSA-N 2 1 334.464 1.791 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752933 592296416 /nfs/dbraw/zinc/29/64/16/592296416.db2.gz QHSGBWBPBZVLAZ-YVSFHVDLSA-N 2 1 336.476 1.951 20 0 EDADMP c1csc(CCN2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903736472 592299042 /nfs/dbraw/zinc/29/90/42/592299042.db2.gz JOGXIHDLNYTJFD-WMZOPIPTSA-N 2 1 335.517 1.677 20 0 EDADMP O[C@H](COc1ccccc1)C[NH+]1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903739241 592299958 /nfs/dbraw/zinc/29/99/58/592299958.db2.gz FUWBQVGYINFHJR-OALUTQOASA-N 2 1 347.503 1.434 20 0 EDADMP C[C@@H]1[NH2+]CCn2c(-c3nc([C@@H]4C[N@H+]5CCC[C@@H]5CO4)no3)ccc21 ZINC000904638231 592300977 /nfs/dbraw/zinc/30/09/77/592300977.db2.gz NVYXVNCBQUJWAD-ZOWXZIJZSA-N 2 1 329.404 1.738 20 0 EDADMP c1ccc2oc(N3CC[NH+](C[C@H]4C[C@@]5(CC[NH2+]C5)CO4)CC3)nc2c1 ZINC000903740023 592301618 /nfs/dbraw/zinc/30/16/18/592301618.db2.gz RUQSSWGQKFRWLZ-DNVCBOLYSA-N 2 1 342.443 1.718 20 0 EDADMP Cc1cnn(C[C@H]2C[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)c1 ZINC000903740784 592303641 /nfs/dbraw/zinc/30/36/41/592303641.db2.gz ZAMGGPMHAVIJCY-IAGOWNOFSA-N 2 1 334.464 1.051 20 0 EDADMP Cc1cnn(C[C@H]2C[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)c1 ZINC000903740784 592303646 /nfs/dbraw/zinc/30/36/46/592303646.db2.gz ZAMGGPMHAVIJCY-IAGOWNOFSA-N 2 1 334.464 1.051 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1)CC(F)(F)F ZINC000903742681 592303894 /nfs/dbraw/zinc/30/38/94/592303894.db2.gz ZIRUANCJNITMPO-HRCADAONSA-N 2 1 349.441 1.961 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903742568 592303992 /nfs/dbraw/zinc/30/39/92/592303992.db2.gz XKUQDACPBHXHIJ-VAMGGRTRSA-N 2 1 329.488 1.961 20 0 EDADMP CN(Cc1ccccc1)[C@@H]1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903742568 592303998 /nfs/dbraw/zinc/30/39/98/592303998.db2.gz XKUQDACPBHXHIJ-VAMGGRTRSA-N 2 1 329.488 1.961 20 0 EDADMP CN(Cc1ccccc1)[C@@H]1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903742568 592304003 /nfs/dbraw/zinc/30/40/03/592304003.db2.gz XKUQDACPBHXHIJ-VAMGGRTRSA-N 2 1 329.488 1.961 20 0 EDADMP C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)OC1CCSCC1 ZINC000903761410 592307973 /nfs/dbraw/zinc/30/79/73/592307973.db2.gz RTACZSYDICBMPI-CVEARBPZSA-N 2 1 326.506 1.599 20 0 EDADMP C[N@H+](C[C@@H](O)CO[C@@H]1CCCc2ccccc21)C1(C[NH3+])CCOCC1 ZINC000903809999 592330650 /nfs/dbraw/zinc/33/06/50/592330650.db2.gz PSSDPUPQGIFYIU-IEBWSBKVSA-N 2 1 348.487 1.881 20 0 EDADMP C[N@@H+](C[C@@H](O)CO[C@@H]1CCCc2ccccc21)C1(C[NH3+])CCOCC1 ZINC000903809999 592330655 /nfs/dbraw/zinc/33/06/55/592330655.db2.gz PSSDPUPQGIFYIU-IEBWSBKVSA-N 2 1 348.487 1.881 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)cc1 ZINC000903823405 592334124 /nfs/dbraw/zinc/33/41/24/592334124.db2.gz GKXLOPKRSJYMNA-JQHSSLGASA-N 2 1 334.460 1.865 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)cc1 ZINC000903823405 592334130 /nfs/dbraw/zinc/33/41/30/592334130.db2.gz GKXLOPKRSJYMNA-JQHSSLGASA-N 2 1 334.460 1.865 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCCCOc1ccccc1F)C2 ZINC000903844974 592343988 /nfs/dbraw/zinc/34/39/88/592343988.db2.gz DCBCRHKSGKPLMU-KKUMJFAQSA-N 2 1 335.423 1.522 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCCCOc1ccccc1F)C2 ZINC000903844974 592343992 /nfs/dbraw/zinc/34/39/92/592343992.db2.gz DCBCRHKSGKPLMU-KKUMJFAQSA-N 2 1 335.423 1.522 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCCOc1ccc(Cl)cc1)C2 ZINC000903847622 592344248 /nfs/dbraw/zinc/34/42/48/592344248.db2.gz LHZSTMFIHOQOQR-CFVMTHIKSA-N 2 1 337.851 1.647 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCCOc1ccc(Cl)cc1)C2 ZINC000903847622 592344253 /nfs/dbraw/zinc/34/42/53/592344253.db2.gz LHZSTMFIHOQOQR-CFVMTHIKSA-N 2 1 337.851 1.647 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](CCCO)Cc2ccccc2)cnn1C ZINC000903890734 592352234 /nfs/dbraw/zinc/35/22/34/592352234.db2.gz GPOLFADEZTXQAB-SFHVURJKSA-N 2 1 330.476 1.731 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908156535 592352417 /nfs/dbraw/zinc/35/24/17/592352417.db2.gz QKWNGLVLCZKWRY-SFHVURJKSA-N 2 1 325.497 1.558 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903873186 592354420 /nfs/dbraw/zinc/35/44/20/592354420.db2.gz MCSOKFBIURFUEB-FZCLSBEQSA-N 2 1 348.491 1.652 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903873186 592354424 /nfs/dbraw/zinc/35/44/24/592354424.db2.gz MCSOKFBIURFUEB-FZCLSBEQSA-N 2 1 348.491 1.652 20 0 EDADMP CS(=O)(=O)N1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC000903914505 592364345 /nfs/dbraw/zinc/36/43/45/592364345.db2.gz IHVPZRXKBACQTH-ZXFUBFMLSA-N 2 1 349.500 1.799 20 0 EDADMP Fc1cccc(O[C@@H]2CC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)c1 ZINC000903914377 592365148 /nfs/dbraw/zinc/36/51/48/592365148.db2.gz UFBYOVTYAKIBFU-MAUKXSAKSA-N 2 1 345.422 1.995 20 0 EDADMP Fc1cccc(O[C@@H]2CC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)c1 ZINC000903914377 592365153 /nfs/dbraw/zinc/36/51/53/592365153.db2.gz UFBYOVTYAKIBFU-MAUKXSAKSA-N 2 1 345.422 1.995 20 0 EDADMP C[NH+](C)CCCC1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903897306 592368033 /nfs/dbraw/zinc/36/80/33/592368033.db2.gz GYDPQODTTATOFO-KRWDZBQOSA-N 2 1 334.512 1.756 20 0 EDADMP Cc1c(C[C@H](C[NH3+])CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cnn1C ZINC000903898376 592369799 /nfs/dbraw/zinc/36/97/99/592369799.db2.gz KKGRHMDMZDOHDY-MBOZVWFJSA-N 2 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cnn1C ZINC000903898376 592369803 /nfs/dbraw/zinc/36/98/03/592369803.db2.gz KKGRHMDMZDOHDY-MBOZVWFJSA-N 3 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cnn1C ZINC000903898376 592369807 /nfs/dbraw/zinc/36/98/07/592369807.db2.gz KKGRHMDMZDOHDY-MBOZVWFJSA-N 3 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnn1C ZINC000903898376 592369810 /nfs/dbraw/zinc/36/98/10/592369810.db2.gz KKGRHMDMZDOHDY-MBOZVWFJSA-N 3 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cnn1C ZINC000903898376 592369812 /nfs/dbraw/zinc/36/98/12/592369812.db2.gz KKGRHMDMZDOHDY-MBOZVWFJSA-N 3 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cnn1C ZINC000903898376 592369814 /nfs/dbraw/zinc/36/98/14/592369814.db2.gz KKGRHMDMZDOHDY-MBOZVWFJSA-N 2 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cnn1C ZINC000903898376 592369815 /nfs/dbraw/zinc/36/98/15/592369815.db2.gz KKGRHMDMZDOHDY-MBOZVWFJSA-N 2 1 345.535 1.795 20 0 EDADMP O=C1CCCN1[C@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903930195 592382649 /nfs/dbraw/zinc/38/26/49/592382649.db2.gz UMSQRVILDATUDO-HOTGVXAUSA-N 2 1 346.479 1.180 20 0 EDADMP O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903930195 592382655 /nfs/dbraw/zinc/38/26/55/592382655.db2.gz UMSQRVILDATUDO-HOTGVXAUSA-N 2 1 346.479 1.180 20 0 EDADMP Brc1cnn2c1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000903933443 592384669 /nfs/dbraw/zinc/38/46/69/592384669.db2.gz ROJIUYXEIRHIMX-YOGCLGLASA-N 2 1 325.254 1.992 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1c[nH]nc1-c1ccc(C)o1)C2 ZINC000903977102 592399704 /nfs/dbraw/zinc/39/97/04/592399704.db2.gz IYGZQIYMYAWGDC-IYOUNJFTSA-N 2 1 344.415 1.690 20 0 EDADMP c1cc2c(c(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)c1)OCO2 ZINC000903980280 592400848 /nfs/dbraw/zinc/40/08/48/592400848.db2.gz NATYFKHALWANQV-CALCHBBNSA-N 2 1 329.444 1.816 20 0 EDADMP O[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1(O)CCCC1 ZINC000905204606 592464486 /nfs/dbraw/zinc/46/44/86/592464486.db2.gz QHHADTVZCABJKV-ZWKOTPCHSA-N 2 1 334.460 1.009 20 0 EDADMP CC1(C)C[NH2+]C[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000904306736 592472853 /nfs/dbraw/zinc/47/28/53/592472853.db2.gz DMUCRBMWONTLIL-QGZVFWFLSA-N 2 1 346.475 1.681 20 0 EDADMP Cc1nc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)oc1C ZINC000905294962 592487374 /nfs/dbraw/zinc/48/73/74/592487374.db2.gz MRBPXDVIBCOAPY-GASCZTMLSA-N 2 1 333.436 1.724 20 0 EDADMP O[C@H](CC[C@@H](O)c1ccccc1)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000905339581 592510966 /nfs/dbraw/zinc/51/09/66/592510966.db2.gz BSWWAWCESXAYKO-CEXWTWQISA-N 2 1 336.476 1.298 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)C2)[C@@H]1C(C)C ZINC000905503736 592546948 /nfs/dbraw/zinc/54/69/48/592546948.db2.gz UEJWLPJMRAJHEJ-QMIVOQANSA-N 2 1 338.414 1.759 20 0 EDADMP CN(C)c1cc[nH+]c(CNC[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000905526173 592561310 /nfs/dbraw/zinc/56/13/10/592561310.db2.gz TXBLHPLJYJVWJA-IBGZPJMESA-N 2 1 328.460 1.730 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000905601110 592574829 /nfs/dbraw/zinc/57/48/29/592574829.db2.gz CYFVAJAOWSVFQK-DOTOQJQBSA-N 2 1 347.532 1.951 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000907689243 592758779 /nfs/dbraw/zinc/75/87/79/592758779.db2.gz PVQYKUTWMZHXGI-OAHLLOKOSA-N 2 1 333.480 1.627 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000907689243 592758782 /nfs/dbraw/zinc/75/87/82/592758782.db2.gz PVQYKUTWMZHXGI-OAHLLOKOSA-N 2 1 333.480 1.627 20 0 EDADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(-c3ccn(C)n3)nn2)CC1 ZINC000906258805 592775994 /nfs/dbraw/zinc/77/59/94/592775994.db2.gz XVZSTYAXPDZFJA-UHFFFAOYSA-N 2 1 345.495 1.945 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(-c3ccn(C)n3)nn2)CC1 ZINC000906258805 592775997 /nfs/dbraw/zinc/77/59/97/592775997.db2.gz XVZSTYAXPDZFJA-UHFFFAOYSA-N 2 1 345.495 1.945 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906645262 592865641 /nfs/dbraw/zinc/86/56/41/592865641.db2.gz JSXGBVXSUXASMM-UHFFFAOYSA-N 2 1 346.475 1.619 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000911629653 592969320 /nfs/dbraw/zinc/96/93/20/592969320.db2.gz YSOSEOSHDZMWGL-CYBMUJFWSA-N 2 1 342.237 1.326 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911751574 592997523 /nfs/dbraw/zinc/99/75/23/592997523.db2.gz MFASYCWUHFOYOT-GXFFZTMASA-N 2 1 342.237 1.326 20 0 EDADMP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)[NH+](CC)CC ZINC000911837643 593020399 /nfs/dbraw/zinc/02/03/99/593020399.db2.gz DMYJRRXCOSBHPU-OWCLPIDISA-N 2 1 325.497 1.722 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CC)[C@H]2CC[NH+](CC)C2)C1 ZINC000912398700 593092971 /nfs/dbraw/zinc/09/29/71/593092971.db2.gz NCDOFOVZXVKQMP-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CC)[C@H]2CC[NH+](CC)C2)C1 ZINC000912398700 593092972 /nfs/dbraw/zinc/09/29/72/593092972.db2.gz NCDOFOVZXVKQMP-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(CC)[C@H]2CC[N@H+](CC)C2)C1 ZINC000912398700 593092973 /nfs/dbraw/zinc/09/29/73/593092973.db2.gz NCDOFOVZXVKQMP-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)C1 ZINC000912398700 593092974 /nfs/dbraw/zinc/09/29/74/593092974.db2.gz NCDOFOVZXVKQMP-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)CN(c2ccccc2)C1=O ZINC000103461906 593302860 /nfs/dbraw/zinc/30/28/60/593302860.db2.gz URSZDVAETOFWMD-UHFFFAOYSA-N 2 1 330.432 1.686 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)CN(c2ccccc2)C1=O ZINC000103461906 593302865 /nfs/dbraw/zinc/30/28/65/593302865.db2.gz URSZDVAETOFWMD-UHFFFAOYSA-N 2 1 330.432 1.686 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000803857882 593369291 /nfs/dbraw/zinc/36/92/91/593369291.db2.gz AEBHKPJFGAQEQQ-CVEARBPZSA-N 2 1 339.480 1.347 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000803857882 593369294 /nfs/dbraw/zinc/36/92/94/593369294.db2.gz AEBHKPJFGAQEQQ-CVEARBPZSA-N 2 1 339.480 1.347 20 0 EDADMP COC(=O)C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000817276183 593587149 /nfs/dbraw/zinc/58/71/49/593587149.db2.gz URTLOCACCGEEFS-SFHVURJKSA-N 2 1 332.444 1.950 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000817300871 593590768 /nfs/dbraw/zinc/59/07/68/593590768.db2.gz FCRYRZWBCJZVTN-MRXNPFEDSA-N 2 1 345.491 1.996 20 0 EDADMP Cc1ccccc1[C@H](O)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000819043672 593735212 /nfs/dbraw/zinc/73/52/12/593735212.db2.gz TYQDFVKCCHOKQU-GOSISDBHSA-N 2 1 333.476 1.561 20 0 EDADMP CCS(=O)(=O)CC[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000819135799 593740945 /nfs/dbraw/zinc/74/09/45/593740945.db2.gz FVSVTJQOKXFBMO-UHFFFAOYSA-N 2 1 326.466 1.087 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625155 593885445 /nfs/dbraw/zinc/88/54/45/593885445.db2.gz GQSHAIHMWCWWQG-RDJZCZTQSA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625155 593885447 /nfs/dbraw/zinc/88/54/47/593885447.db2.gz GQSHAIHMWCWWQG-RDJZCZTQSA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625155 593885449 /nfs/dbraw/zinc/88/54/49/593885449.db2.gz GQSHAIHMWCWWQG-RDJZCZTQSA-N 2 1 342.447 1.662 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)CC[C@H]21 ZINC000821624997 593885879 /nfs/dbraw/zinc/88/58/79/593885879.db2.gz CKJXNWPMZUACTM-GOEBONIOSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)CC[C@H]21 ZINC000821624997 593885881 /nfs/dbraw/zinc/88/58/81/593885881.db2.gz CKJXNWPMZUACTM-GOEBONIOSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)CC[C@H]21 ZINC000821624997 593885883 /nfs/dbraw/zinc/88/58/83/593885883.db2.gz CKJXNWPMZUACTM-GOEBONIOSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)CC[C@H]21 ZINC000821624997 593885885 /nfs/dbraw/zinc/88/58/85/593885885.db2.gz CKJXNWPMZUACTM-GOEBONIOSA-N 2 1 330.411 1.922 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000824200062 593954373 /nfs/dbraw/zinc/95/43/73/593954373.db2.gz AUAHTQGJYCECOD-MOPGFXCFSA-N 2 1 343.471 1.584 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000821369387 594030090 /nfs/dbraw/zinc/03/00/90/594030090.db2.gz SQNGDTJDQYIKEU-HUUCEWRRSA-N 2 1 329.485 1.534 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000821369387 594030091 /nfs/dbraw/zinc/03/00/91/594030091.db2.gz SQNGDTJDQYIKEU-HUUCEWRRSA-N 2 1 329.485 1.534 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000821369387 594030093 /nfs/dbraw/zinc/03/00/93/594030093.db2.gz SQNGDTJDQYIKEU-HUUCEWRRSA-N 2 1 329.485 1.534 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000821369387 594030095 /nfs/dbraw/zinc/03/00/95/594030095.db2.gz SQNGDTJDQYIKEU-HUUCEWRRSA-N 2 1 329.485 1.534 20 0 EDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824584824 594042932 /nfs/dbraw/zinc/04/29/32/594042932.db2.gz IBNIXFUVLGGYTF-CYBMUJFWSA-N 2 1 330.436 1.364 20 0 EDADMP O=CN1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000827877590 594295337 /nfs/dbraw/zinc/29/53/37/594295337.db2.gz QFZRDPTZLGPYRK-UHFFFAOYSA-N 2 1 331.460 1.825 20 0 EDADMP Cc1ccccc1[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000827914923 594302284 /nfs/dbraw/zinc/30/22/84/594302284.db2.gz BAINUBXJZIHJCX-GOSISDBHSA-N 2 1 331.460 1.579 20 0 EDADMP [NH3+]CCCCCCNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000831095180 594555084 /nfs/dbraw/zinc/55/50/84/594555084.db2.gz YKURIESZQVZRIV-UHFFFAOYSA-N 2 1 348.491 1.837 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@]3(F)CC[NH2+]C3)CC2)oc1C ZINC000829395688 594606698 /nfs/dbraw/zinc/60/66/98/594606698.db2.gz ZHAOAUGNKWGSEW-KRWDZBQOSA-N 2 1 338.427 1.321 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)c3ccnc(C[NH3+])c3)cc2)CC1 ZINC000827248736 594656232 /nfs/dbraw/zinc/65/62/32/594656232.db2.gz CJHLYJRXVBRPPE-UHFFFAOYSA-N 2 1 339.443 1.935 20 0 EDADMP CCO[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000831718684 594695832 /nfs/dbraw/zinc/69/58/32/594695832.db2.gz NIKHINGFGRPPSK-ZWKOTPCHSA-N 2 1 333.476 1.591 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000831880397 594709036 /nfs/dbraw/zinc/70/90/36/594709036.db2.gz DFMBDRDRLCTXCN-CALCHBBNSA-N 2 1 344.503 1.776 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cccnc3-n3ccnc3)C[C@@H]21 ZINC000836213499 594939272 /nfs/dbraw/zinc/93/92/72/594939272.db2.gz GVCXBILICIFRLB-CABCVRRESA-N 2 1 326.404 1.113 20 0 EDADMP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000841833190 594959660 /nfs/dbraw/zinc/95/96/60/594959660.db2.gz SYBJDIHPSVKUAZ-SJLPKXTDSA-N 2 1 328.460 1.657 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841928648 594983419 /nfs/dbraw/zinc/98/34/19/594983419.db2.gz QPTOULFSIURDKF-MRXNPFEDSA-N 2 1 347.507 1.013 20 0 EDADMP CC(C)[NH2+]CCc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000843205485 595033598 /nfs/dbraw/zinc/03/35/98/595033598.db2.gz PBBHKEBAWZYVTB-UHFFFAOYSA-N 2 1 344.463 1.814 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000837133878 595040590 /nfs/dbraw/zinc/04/05/90/595040590.db2.gz BRRPVUJWGQJNAG-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)C1 ZINC000843349405 595083243 /nfs/dbraw/zinc/08/32/43/595083243.db2.gz YPLAJLKXXWMOCB-CYBMUJFWSA-N 2 1 329.400 1.793 20 0 EDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)C1 ZINC000843349405 595083247 /nfs/dbraw/zinc/08/32/47/595083247.db2.gz YPLAJLKXXWMOCB-CYBMUJFWSA-N 2 1 329.400 1.793 20 0 EDADMP C[N@@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)C1CCC([NH3+])CC1 ZINC000843353815 595084091 /nfs/dbraw/zinc/08/40/91/595084091.db2.gz LLPGRNCSPMDFPQ-UHFFFAOYSA-N 2 1 346.475 1.092 20 0 EDADMP [NH3+][C@H](CC(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1)C1CC1 ZINC000842511847 595123996 /nfs/dbraw/zinc/12/39/96/595123996.db2.gz FWYVFHLHNMGBBS-QGZVFWFLSA-N 2 1 330.476 1.224 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843491013 595128733 /nfs/dbraw/zinc/12/87/33/595128733.db2.gz YLTQYZMNEMDOLU-HKUYNNGSSA-N 2 1 345.487 1.878 20 0 EDADMP CCO[C@@H]1C[N@H+](Cc2cc(=O)oc3cc(OC)ccc23)C[C@H]1C[NH3+] ZINC000846225550 595178613 /nfs/dbraw/zinc/17/86/13/595178613.db2.gz CKORNGODOHWQSS-CXAGYDPISA-N 2 1 332.400 1.597 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2cc(=O)oc3cc(OC)ccc23)C[C@H]1C[NH3+] ZINC000846225550 595178617 /nfs/dbraw/zinc/17/86/17/595178617.db2.gz CKORNGODOHWQSS-CXAGYDPISA-N 2 1 332.400 1.597 20 0 EDADMP CCc1nn(C)c(Cl)c1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000843124618 595292445 /nfs/dbraw/zinc/29/24/45/595292445.db2.gz DMRALLFMUVVHMX-LBPRGKRZSA-N 2 1 326.872 1.823 20 0 EDADMP CCc1nn(C)c(Cl)c1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000843124618 595292447 /nfs/dbraw/zinc/29/24/47/595292447.db2.gz DMRALLFMUVVHMX-LBPRGKRZSA-N 2 1 326.872 1.823 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844186058 595296085 /nfs/dbraw/zinc/29/60/85/595296085.db2.gz FGEPNDTZKQYXGR-QRQLOZEOSA-N 2 1 345.487 1.782 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000844187668 595296947 /nfs/dbraw/zinc/29/69/47/595296947.db2.gz MUSSALSBTHRIBE-IKGGRYGDSA-N 2 1 341.496 1.008 20 0 EDADMP C[C@H](CCNC(=O)CO[C@@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000844189442 595297535 /nfs/dbraw/zinc/29/75/35/595297535.db2.gz MILJLQIZNJXJGC-SJLPKXTDSA-N 2 1 333.476 1.782 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+](C)C3CCC([NH3+])CC3)CC2)c1 ZINC000844220942 595306108 /nfs/dbraw/zinc/30/61/08/595306108.db2.gz RCQPXOJEMCPXTC-UHFFFAOYSA-N 2 1 344.503 1.845 20 0 EDADMP COC(=O)/C=C\c1ccc(C[NH2+]CCCCN2CC[NH+](C)CC2)o1 ZINC000848893362 595464444 /nfs/dbraw/zinc/46/44/44/595464444.db2.gz VCRVWYOFLWIRSX-FPLPWBNLSA-N 2 1 335.448 1.583 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000849117868 595484737 /nfs/dbraw/zinc/48/47/37/595484737.db2.gz YVUCOGYHAFIWMT-KBAYOESNSA-N 2 1 348.491 1.672 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCCC23OCCO3)CC1 ZINC000857440712 595527708 /nfs/dbraw/zinc/52/77/08/595527708.db2.gz ACUISESKJTUFFN-AWEZNQCLSA-N 2 1 346.431 1.315 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849497493 595551641 /nfs/dbraw/zinc/55/16/41/595551641.db2.gz GBVAVQVALPXLDG-KBAYOESNSA-N 2 1 347.507 1.446 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849523872 595556750 /nfs/dbraw/zinc/55/67/50/595556750.db2.gz XSQZKGKGPZGSED-SJORKVTESA-N 2 1 335.496 1.256 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849541159 595561282 /nfs/dbraw/zinc/56/12/82/595561282.db2.gz LGWGVQRURRQOHI-ROUUACIJSA-N 2 1 349.523 1.690 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849541159 595561285 /nfs/dbraw/zinc/56/12/85/595561285.db2.gz LGWGVQRURRQOHI-ROUUACIJSA-N 2 1 349.523 1.690 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849541159 595561287 /nfs/dbraw/zinc/56/12/87/595561287.db2.gz LGWGVQRURRQOHI-ROUUACIJSA-N 2 1 349.523 1.690 20 0 EDADMP CN(C)c1cc[nH+]c(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c1 ZINC000849571767 595574740 /nfs/dbraw/zinc/57/47/40/595574740.db2.gz IHWNWVJTQYLIJU-HOTGVXAUSA-N 2 1 342.447 1.555 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC[N@@H+]1C ZINC000849571405 595575464 /nfs/dbraw/zinc/57/54/64/595575464.db2.gz IMUGVZKWIGQBSW-YQFWSFKMSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC[NH+]1C ZINC000849571405 595575466 /nfs/dbraw/zinc/57/54/66/595575466.db2.gz IMUGVZKWIGQBSW-YQFWSFKMSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC[NH+]1C ZINC000849571405 595575469 /nfs/dbraw/zinc/57/54/69/595575469.db2.gz IMUGVZKWIGQBSW-YQFWSFKMSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)[C@@H](C)C[N@H+]1C ZINC000849572005 595575541 /nfs/dbraw/zinc/57/55/41/595575541.db2.gz MQLDIJRPHXWPGY-YALNPMBYSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)[C@@H](C)C[NH+]1C ZINC000849572005 595575542 /nfs/dbraw/zinc/57/55/42/595575542.db2.gz MQLDIJRPHXWPGY-YALNPMBYSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)[C@@H](C)C[NH+]1C ZINC000849572005 595575543 /nfs/dbraw/zinc/57/55/43/595575543.db2.gz MQLDIJRPHXWPGY-YALNPMBYSA-N 2 1 333.480 1.006 20 0 EDADMP CCN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000852861332 595582074 /nfs/dbraw/zinc/58/20/74/595582074.db2.gz BULBSUHGZAKZHE-PVAVHDDUSA-N 2 1 344.459 1.774 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849608268 595594229 /nfs/dbraw/zinc/59/42/29/595594229.db2.gz NRPOWYPQNWQLKO-QZTJIDSGSA-N 2 1 349.523 1.550 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849608268 595594231 /nfs/dbraw/zinc/59/42/31/595594231.db2.gz NRPOWYPQNWQLKO-QZTJIDSGSA-N 2 1 349.523 1.550 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849608268 595594237 /nfs/dbraw/zinc/59/42/37/595594237.db2.gz NRPOWYPQNWQLKO-QZTJIDSGSA-N 2 1 349.523 1.550 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852895104 595602558 /nfs/dbraw/zinc/60/25/58/595602558.db2.gz XEKFFBJEBVKDMZ-GOEBONIOSA-N 2 1 336.480 1.593 20 0 EDADMP C[NH+]1CCC(NC(=S)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000853049524 595649417 /nfs/dbraw/zinc/64/94/17/595649417.db2.gz YZQOZATXBJWPLH-QGZVFWFLSA-N 2 1 332.517 1.819 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000853052581 595650920 /nfs/dbraw/zinc/65/09/20/595650920.db2.gz WYUFJYSHVMUFAT-CVEARBPZSA-N 2 1 342.553 1.388 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000851654488 595869466 /nfs/dbraw/zinc/86/94/66/595869466.db2.gz CWSMNCVNHOXSMV-CJNGLKHVSA-N 2 1 342.447 1.845 20 0 EDADMP C[N@H+](CCN1CC[NH+](C[C@H]2CCC(=O)O2)CC1)Cc1ccccc1 ZINC000851764892 595914794 /nfs/dbraw/zinc/91/47/94/595914794.db2.gz NTEFHRGDJMFJHU-GOSISDBHSA-N 2 1 331.460 1.442 20 0 EDADMP C[N@@H+](CCN1CC[NH+](C[C@H]2CCC(=O)O2)CC1)Cc1ccccc1 ZINC000851764892 595914796 /nfs/dbraw/zinc/91/47/96/595914796.db2.gz NTEFHRGDJMFJHU-GOSISDBHSA-N 2 1 331.460 1.442 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000859214847 596006392 /nfs/dbraw/zinc/00/63/92/596006392.db2.gz UOMHMBUXACIRSX-UHFFFAOYSA-N 2 1 346.475 1.901 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3COCCO3)C2)ccn1 ZINC000856585131 596023790 /nfs/dbraw/zinc/02/37/90/596023790.db2.gz ZPZWTAWTTVUSOP-ZWKOTPCHSA-N 2 1 335.448 1.402 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3COCCO3)C2)ccn1 ZINC000856585131 596023792 /nfs/dbraw/zinc/02/37/92/596023792.db2.gz ZPZWTAWTTVUSOP-ZWKOTPCHSA-N 2 1 335.448 1.402 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3COCCO3)C2)ccn1 ZINC000856585131 596023794 /nfs/dbraw/zinc/02/37/94/596023794.db2.gz ZPZWTAWTTVUSOP-ZWKOTPCHSA-N 2 1 335.448 1.402 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C[C@@H]1C ZINC000854313335 596032492 /nfs/dbraw/zinc/03/24/92/596032492.db2.gz ROSJIOPPWNJTRU-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C[C@@H]1C ZINC000854313335 596032497 /nfs/dbraw/zinc/03/24/97/596032497.db2.gz ROSJIOPPWNJTRU-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000854641916 596146055 /nfs/dbraw/zinc/14/60/55/596146055.db2.gz HLTFSSAQBIXAJX-VKJFTORMSA-N 2 1 341.471 1.521 20 0 EDADMP C[NH+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000854641916 596146057 /nfs/dbraw/zinc/14/60/57/596146057.db2.gz HLTFSSAQBIXAJX-VKJFTORMSA-N 2 1 341.471 1.521 20 0 EDADMP C[NH+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000854641916 596146059 /nfs/dbraw/zinc/14/60/59/596146059.db2.gz HLTFSSAQBIXAJX-VKJFTORMSA-N 2 1 341.471 1.521 20 0 EDADMP CC1(C)CC[C@H](C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)OC1 ZINC000866660409 596283552 /nfs/dbraw/zinc/28/35/52/596283552.db2.gz HRXOSKVRAZSGHD-ZACQAIPSSA-N 2 1 337.508 1.772 20 0 EDADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])c1cccc(Br)c1)C1CC1 ZINC000870874160 596385517 /nfs/dbraw/zinc/38/55/17/596385517.db2.gz WNJBWPVYXVNWJA-CYBMUJFWSA-N 2 1 326.238 1.659 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000870891563 596392069 /nfs/dbraw/zinc/39/20/69/596392069.db2.gz FQAIRCYBCFICNP-KANFNMMFSA-N 2 1 345.487 1.910 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000870891563 596392073 /nfs/dbraw/zinc/39/20/73/596392073.db2.gz FQAIRCYBCFICNP-KANFNMMFSA-N 2 1 345.487 1.910 20 0 EDADMP O=C(/C=C\CN1CCOCC1)NC[C@@H]1CCN1Cc1ccccc1 ZINC000869307942 596481954 /nfs/dbraw/zinc/48/19/54/596481954.db2.gz XRXUXCCBCPGJKP-GINYUPMKSA-N 2 1 329.444 1.266 20 0 EDADMP CC[C@@H]1[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000863577287 596624571 /nfs/dbraw/zinc/62/45/71/596624571.db2.gz WKBNMCGJNVHBDX-HRCADAONSA-N 2 1 341.496 1.819 20 0 EDADMP CC[C@@H]1[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000863577287 596624574 /nfs/dbraw/zinc/62/45/74/596624574.db2.gz WKBNMCGJNVHBDX-HRCADAONSA-N 2 1 341.496 1.819 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000868215799 596728183 /nfs/dbraw/zinc/72/81/83/596728183.db2.gz BYLCYRUNNIBHAP-UHFFFAOYSA-N 2 1 328.501 1.374 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868231742 596737474 /nfs/dbraw/zinc/73/74/74/596737474.db2.gz IKHMPUQYSHWITL-RRQGHBQHSA-N 2 1 344.459 1.240 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868236655 596740104 /nfs/dbraw/zinc/74/01/04/596740104.db2.gz MQSVGWUTYPLMCW-KKBVYLPWSA-N 2 1 344.459 1.238 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000864055472 596745924 /nfs/dbraw/zinc/74/59/24/596745924.db2.gz QEHVZJKMAAYKSB-WCVJEAGWSA-N 2 1 340.512 1.562 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000864055472 596745928 /nfs/dbraw/zinc/74/59/28/596745928.db2.gz QEHVZJKMAAYKSB-WCVJEAGWSA-N 2 1 340.512 1.562 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000868287126 596766783 /nfs/dbraw/zinc/76/67/83/596766783.db2.gz YHBHFPVOLKIBFN-CKDBGZEDSA-N 2 1 326.485 1.269 20 0 EDADMP COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C2 ZINC000872229745 596846161 /nfs/dbraw/zinc/84/61/61/596846161.db2.gz SBQJWUVVMOFAOS-NTDBWNAOSA-N 2 1 332.444 1.411 20 0 EDADMP COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C2 ZINC000872229745 596846164 /nfs/dbraw/zinc/84/61/64/596846164.db2.gz SBQJWUVVMOFAOS-NTDBWNAOSA-N 2 1 332.444 1.411 20 0 EDADMP CC(C)c1ncc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000872254956 596855330 /nfs/dbraw/zinc/85/53/30/596855330.db2.gz GZRMSWUZNUDBIG-YUTCNCBUSA-N 2 1 336.461 1.633 20 0 EDADMP CC(C)c1ncc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000872254956 596855334 /nfs/dbraw/zinc/85/53/34/596855334.db2.gz GZRMSWUZNUDBIG-YUTCNCBUSA-N 2 1 336.461 1.633 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000872254705 596855881 /nfs/dbraw/zinc/85/58/81/596855881.db2.gz BZHYIZCNSIVRBM-HRCADAONSA-N 2 1 328.416 1.022 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000872257097 596857557 /nfs/dbraw/zinc/85/75/57/596857557.db2.gz LBCKSJKZWXZUCZ-XYJFISCASA-N 2 1 341.411 1.329 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(Cl)n1C ZINC000874266321 596991919 /nfs/dbraw/zinc/99/19/19/596991919.db2.gz JJVOCMYXCUVNSZ-ZDUSSCGKSA-N 2 1 341.887 1.562 20 0 EDADMP COCC[N@H+](CC1CC[NH+](C)CC1)CN1C[C@@](C)(COC)CC1=O ZINC000872631817 597000762 /nfs/dbraw/zinc/00/07/62/597000762.db2.gz ISMZXIRTGBMBJR-SFHVURJKSA-N 2 1 341.496 1.119 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CN1C[C@@](C)(COC)CC1=O ZINC000872631817 597000764 /nfs/dbraw/zinc/00/07/64/597000764.db2.gz ISMZXIRTGBMBJR-SFHVURJKSA-N 2 1 341.496 1.119 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC000876203973 597133684 /nfs/dbraw/zinc/13/36/84/597133684.db2.gz SCGLZONRHHJNND-DLBZAZTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000876203973 597133687 /nfs/dbraw/zinc/13/36/87/597133687.db2.gz SCGLZONRHHJNND-DLBZAZTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000876203973 597133690 /nfs/dbraw/zinc/13/36/90/597133690.db2.gz SCGLZONRHHJNND-DLBZAZTESA-N 2 1 338.496 1.149 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3C)cn1 ZINC000874822450 597184629 /nfs/dbraw/zinc/18/46/29/597184629.db2.gz IPEGUPWBOVVWTL-MLHJIOFPSA-N 2 1 345.491 1.151 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cn1 ZINC000874822450 597184631 /nfs/dbraw/zinc/18/46/31/597184631.db2.gz IPEGUPWBOVVWTL-MLHJIOFPSA-N 2 1 345.491 1.151 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cn1 ZINC000874822450 597184634 /nfs/dbraw/zinc/18/46/34/597184634.db2.gz IPEGUPWBOVVWTL-MLHJIOFPSA-N 2 1 345.491 1.151 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000873111472 597199433 /nfs/dbraw/zinc/19/94/33/597199433.db2.gz ANKOTDXJUNDOSW-HOTGVXAUSA-N 2 1 330.432 1.087 20 0 EDADMP COc1ccnc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)n1 ZINC000873201971 597225525 /nfs/dbraw/zinc/22/55/25/597225525.db2.gz IBWICSIVIWEUGO-UHFFFAOYSA-N 2 1 345.472 1.515 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C)C(C)(C)CC1)[NH+]1CCOCC1 ZINC000875042858 597257271 /nfs/dbraw/zinc/25/72/71/597257271.db2.gz ADEJZXVNXXXESS-MRXNPFEDSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+]1CCOCC1 ZINC000875042858 597257274 /nfs/dbraw/zinc/25/72/74/597257274.db2.gz ADEJZXVNXXXESS-MRXNPFEDSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[NH+]1CCCC[C@@H]1C ZINC000875071806 597269906 /nfs/dbraw/zinc/26/99/06/597269906.db2.gz NHAANGNOWSMGLK-JYJNAYRXSA-N 2 1 340.512 1.394 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)[N@@H+]1CCCC[C@@H]1C ZINC000875071806 597269907 /nfs/dbraw/zinc/26/99/07/597269907.db2.gz NHAANGNOWSMGLK-JYJNAYRXSA-N 2 1 340.512 1.394 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)[N@H+]1CCCC[C@@H]1C ZINC000875071806 597269909 /nfs/dbraw/zinc/26/99/09/597269909.db2.gz NHAANGNOWSMGLK-JYJNAYRXSA-N 2 1 340.512 1.394 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000876716836 597302748 /nfs/dbraw/zinc/30/27/48/597302748.db2.gz OCOWMTIJGQQDML-HRCADAONSA-N 2 1 329.460 1.187 20 0 EDADMP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876771969 597333356 /nfs/dbraw/zinc/33/33/56/597333356.db2.gz DQRGJSXUSVEFPD-AYBZRNKSSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876771969 597333360 /nfs/dbraw/zinc/33/33/60/597333360.db2.gz DQRGJSXUSVEFPD-AYBZRNKSSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H](N)c2cccc(Br)c2)C1 ZINC000876773455 597333750 /nfs/dbraw/zinc/33/37/50/597333750.db2.gz REZWHRRBBGRJHX-RISCZKNCSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000876773455 597333753 /nfs/dbraw/zinc/33/37/53/597333753.db2.gz REZWHRRBBGRJHX-RISCZKNCSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000876773455 597333757 /nfs/dbraw/zinc/33/37/57/597333757.db2.gz REZWHRRBBGRJHX-RISCZKNCSA-N 2 1 340.265 1.907 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000875266393 597359868 /nfs/dbraw/zinc/35/98/68/597359868.db2.gz UQIYWBOXAPGSMD-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000875266393 597359873 /nfs/dbraw/zinc/35/98/73/597359873.db2.gz UQIYWBOXAPGSMD-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000875266393 597359877 /nfs/dbraw/zinc/35/98/77/597359877.db2.gz UQIYWBOXAPGSMD-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000876893744 597373592 /nfs/dbraw/zinc/37/35/92/597373592.db2.gz QNBOSKMCEANNNG-CABCVRRESA-N 2 1 347.850 1.707 20 0 EDADMP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000876893744 597373595 /nfs/dbraw/zinc/37/35/95/597373595.db2.gz QNBOSKMCEANNNG-CABCVRRESA-N 2 1 347.850 1.707 20 0 EDADMP [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000876960878 597397542 /nfs/dbraw/zinc/39/75/42/597397542.db2.gz OJHXLMRBFVRTAT-KZNAEPCWSA-N 2 1 331.460 1.387 20 0 EDADMP CC(C)C[C@H]([NH2+]Cc1ccc(Cl)nn1)C(=O)NCC[NH+](C)C ZINC000877126625 597438627 /nfs/dbraw/zinc/43/86/27/597438627.db2.gz OZLUQEIFWQZPIV-ZDUSSCGKSA-N 2 1 327.860 1.312 20 0 EDADMP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CCC1(C)C ZINC000877206285 597462150 /nfs/dbraw/zinc/46/21/50/597462150.db2.gz FNNXEQNINNZTCA-INIZCTEOSA-N 2 1 328.460 1.980 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000877231749 597470659 /nfs/dbraw/zinc/47/06/59/597470659.db2.gz SIQUVRFXVUMSRX-HKUYNNGSSA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000877231749 597470662 /nfs/dbraw/zinc/47/06/62/597470662.db2.gz SIQUVRFXVUMSRX-HKUYNNGSSA-N 2 1 345.487 1.702 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000877231565 597470836 /nfs/dbraw/zinc/47/08/36/597470836.db2.gz OCCUVZXQMXWUOD-PKOBYXMFSA-N 2 1 333.476 1.830 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000877231565 597470839 /nfs/dbraw/zinc/47/08/39/597470839.db2.gz OCCUVZXQMXWUOD-PKOBYXMFSA-N 2 1 333.476 1.830 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877371055 597503371 /nfs/dbraw/zinc/50/33/71/597503371.db2.gz KQOUYACOPOPJAZ-CDMKHQONSA-N 2 1 331.338 1.291 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371057 597503484 /nfs/dbraw/zinc/50/34/84/597503484.db2.gz KQOUYACOPOPJAZ-NDMJEZRESA-N 2 1 331.338 1.291 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](C(C)(C)O)C3)cn2)CC1 ZINC000877797570 597558442 /nfs/dbraw/zinc/55/84/42/597558442.db2.gz XXBCUXFKYDWWPZ-INIZCTEOSA-N 2 1 333.480 1.211 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](C(C)(C)O)C3)cn2)CC1 ZINC000877797570 597558443 /nfs/dbraw/zinc/55/84/43/597558443.db2.gz XXBCUXFKYDWWPZ-INIZCTEOSA-N 2 1 333.480 1.211 20 0 EDADMP COc1c(C)cc(C[N@H+](C)CC(=O)NC2CC[NH+](C)CC2)cc1C ZINC000878033705 597570901 /nfs/dbraw/zinc/57/09/01/597570901.db2.gz VSMNROOSQZZEEN-UHFFFAOYSA-N 2 1 333.476 1.954 20 0 EDADMP COc1c(C)cc(C[N@@H+](C)CC(=O)NC2CC[NH+](C)CC2)cc1C ZINC000878033705 597570902 /nfs/dbraw/zinc/57/09/02/597570902.db2.gz VSMNROOSQZZEEN-UHFFFAOYSA-N 2 1 333.476 1.954 20 0 EDADMP CN(C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000879579896 597641920 /nfs/dbraw/zinc/64/19/20/597641920.db2.gz PYNPWFXKABYAMW-QLFBSQMISA-N 2 1 327.469 1.240 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000879579896 597641924 /nfs/dbraw/zinc/64/19/24/597641924.db2.gz PYNPWFXKABYAMW-QLFBSQMISA-N 2 1 327.469 1.240 20 0 EDADMP CN(C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000879579896 597641928 /nfs/dbraw/zinc/64/19/28/597641928.db2.gz PYNPWFXKABYAMW-QLFBSQMISA-N 2 1 327.469 1.240 20 0 EDADMP CN(C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000879579896 597641931 /nfs/dbraw/zinc/64/19/31/597641931.db2.gz PYNPWFXKABYAMW-QLFBSQMISA-N 2 1 327.469 1.240 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879581386 597642872 /nfs/dbraw/zinc/64/28/72/597642872.db2.gz ZJQHBNJZBCFDJK-UKRRQHHQSA-N 2 1 332.473 1.633 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879581386 597642875 /nfs/dbraw/zinc/64/28/75/597642875.db2.gz ZJQHBNJZBCFDJK-UKRRQHHQSA-N 2 1 332.473 1.633 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879581386 597642878 /nfs/dbraw/zinc/64/28/78/597642878.db2.gz ZJQHBNJZBCFDJK-UKRRQHHQSA-N 2 1 332.473 1.633 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879581386 597642881 /nfs/dbraw/zinc/64/28/81/597642881.db2.gz ZJQHBNJZBCFDJK-UKRRQHHQSA-N 2 1 332.473 1.633 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](C[C@H]3CCC4(CCOCC4)CO3)C2)nn1 ZINC000883431911 597744405 /nfs/dbraw/zinc/74/44/05/597744405.db2.gz GKMQXJXARFUJCE-IAGOWNOFSA-N 2 1 349.479 1.350 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000883442270 597748494 /nfs/dbraw/zinc/74/84/94/597748494.db2.gz ICXIVUTXUNOYFI-HZPDHXFCSA-N 2 1 344.459 1.145 20 0 EDADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000879947318 597779744 /nfs/dbraw/zinc/77/97/44/597779744.db2.gz DMBXGQRECFUDSU-ROUUACIJSA-N 2 1 340.508 1.883 20 0 EDADMP CN(C[C@@H](O)C[N@H+](C)CCCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000879081173 597814772 /nfs/dbraw/zinc/81/47/72/597814772.db2.gz UZHZDEJUAJBNKN-HNNXBMFYSA-N 2 1 340.468 1.512 20 0 EDADMP CN(C[C@@H](O)C[N@@H+](C)CCCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000879081173 597814775 /nfs/dbraw/zinc/81/47/75/597814775.db2.gz UZHZDEJUAJBNKN-HNNXBMFYSA-N 2 1 340.468 1.512 20 0 EDADMP [NH3+][C@@H]1CCN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883586425 597815213 /nfs/dbraw/zinc/81/52/13/597815213.db2.gz LIRHZAHTOIXTJE-PBHICJAKSA-N 2 1 329.448 1.536 20 0 EDADMP COCC[N@@H+](C[C@H](O)C[C@@](C)(O)C1CC1)CC1CC[NH+](C)CC1 ZINC000879125787 597827888 /nfs/dbraw/zinc/82/78/88/597827888.db2.gz IRWYHSWROOJBRN-QZTJIDSGSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@H]1C[N@@H+](CCc2nnnn2-c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880262404 597886951 /nfs/dbraw/zinc/88/69/51/597886951.db2.gz YWAOTFSCMANMBY-INIZCTEOSA-N 2 1 349.442 1.811 20 0 EDADMP CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000880436277 597934220 /nfs/dbraw/zinc/93/42/20/597934220.db2.gz UEXQPOILRLGPGM-RBUKOAKNSA-N 2 1 334.460 1.755 20 0 EDADMP CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000880436277 597934222 /nfs/dbraw/zinc/93/42/22/597934222.db2.gz UEXQPOILRLGPGM-RBUKOAKNSA-N 2 1 334.460 1.755 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)[NH+]1CCOCC1 ZINC000884184416 598017937 /nfs/dbraw/zinc/01/79/37/598017937.db2.gz PNHMDRVNWZDFLW-JKSUJKDBSA-N 2 1 325.497 1.485 20 0 EDADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000884197908 598024706 /nfs/dbraw/zinc/02/47/06/598024706.db2.gz IIJSYEICJPLRTP-JKSUJKDBSA-N 2 1 343.475 1.786 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])CC3CC3)cc2)CC1 ZINC000884202186 598027327 /nfs/dbraw/zinc/02/73/27/598027327.db2.gz SHTGHXWYCVMEOI-KRWDZBQOSA-N 2 1 344.459 1.530 20 0 EDADMP COCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000884318279 598064042 /nfs/dbraw/zinc/06/40/42/598064042.db2.gz RTJVHFOCJMJGCC-ZDUSSCGKSA-N 2 1 344.253 1.813 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000914076091 695071220 /nfs/dbraw/zinc/07/12/20/695071220.db2.gz PPDHGIOQXXGSFN-NVXWUHKLSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000914076091 695071223 /nfs/dbraw/zinc/07/12/23/695071223.db2.gz PPDHGIOQXXGSFN-NVXWUHKLSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000914076091 695071226 /nfs/dbraw/zinc/07/12/26/695071226.db2.gz PPDHGIOQXXGSFN-NVXWUHKLSA-N 2 1 338.496 1.413 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnon3)[C@H]2C1)C1CCC1 ZINC000992717478 695233761 /nfs/dbraw/zinc/23/37/61/695233761.db2.gz VUTFJYAXTSDVCH-JQFCIGGWSA-N 2 1 347.463 1.271 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCF)[C@@H]3C2)no1 ZINC000992737398 695251695 /nfs/dbraw/zinc/25/16/95/695251695.db2.gz GQRTWJRGKVETAO-NWANDNLSSA-N 2 1 338.427 1.536 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000914219910 695284588 /nfs/dbraw/zinc/28/45/88/695284588.db2.gz DXGPMRWHXPFHRN-GVDBMIGSSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000914219910 695284590 /nfs/dbraw/zinc/28/45/90/695284590.db2.gz DXGPMRWHXPFHRN-GVDBMIGSSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000914219910 695284592 /nfs/dbraw/zinc/28/45/92/695284592.db2.gz DXGPMRWHXPFHRN-GVDBMIGSSA-N 2 1 336.480 1.166 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC1([NH+](C)C)CC1 ZINC000914322278 695359149 /nfs/dbraw/zinc/35/91/49/695359149.db2.gz JPBXAGJJEBLNGB-UHFFFAOYSA-N 2 1 328.420 1.469 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC000992825168 695381836 /nfs/dbraw/zinc/38/18/36/695381836.db2.gz RSQWEACYWOVYDG-BBWFWOEESA-N 2 1 348.491 1.606 20 0 EDADMP C[C@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccnn1C ZINC000993927400 696446892 /nfs/dbraw/zinc/44/68/92/696446892.db2.gz LZXJFWVFABIOHH-YJBOKZPZSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccnn1C ZINC000993927400 696446893 /nfs/dbraw/zinc/44/68/93/696446893.db2.gz LZXJFWVFABIOHH-YJBOKZPZSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCC[N@H+]1CC1CC1 ZINC000993987268 696482879 /nfs/dbraw/zinc/48/28/79/696482879.db2.gz MFCZJXNZKWMNQS-YOEHRIQHSA-N 2 1 333.480 1.437 20 0 EDADMP Cc1cccnc1C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994246180 696626229 /nfs/dbraw/zinc/62/62/29/696626229.db2.gz AXJHLPFQOWYGAR-DLBZAZTESA-N 2 1 342.487 1.955 20 0 EDADMP CCCn1ncnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000940007993 700109508 /nfs/dbraw/zinc/10/95/08/700109508.db2.gz CTZCHWFFJZRHEY-OAHLLOKOSA-N 2 1 348.495 1.253 20 0 EDADMP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1CCc1ccns1 ZINC000994403441 696825855 /nfs/dbraw/zinc/82/58/55/696825855.db2.gz CFLIGANBTNOPMA-GOEBONIOSA-N 2 1 336.505 1.751 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(Cc2cc(C)ncn2)[C@H]1C ZINC000994425266 696847304 /nfs/dbraw/zinc/84/73/04/696847304.db2.gz RRVKUUHGFKXCAZ-YOEHRIQHSA-N 2 1 342.447 1.459 20 0 EDADMP COc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1OCCO ZINC000917017184 696878100 /nfs/dbraw/zinc/87/81/00/696878100.db2.gz LDYLBRBRVGIKCP-GDBMZVCRSA-N 2 1 338.448 1.174 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CN(CC[C@@H]3CCc4ccccc43)C2)C1 ZINC001031382584 697000915 /nfs/dbraw/zinc/00/09/15/697000915.db2.gz YRCDJKHKLZMIHP-DLBZAZTESA-N 2 1 327.472 1.859 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](CC[C@@H]3CCc4ccccc43)C2)C1 ZINC001031382584 697000917 /nfs/dbraw/zinc/00/09/17/697000917.db2.gz YRCDJKHKLZMIHP-DLBZAZTESA-N 2 1 327.472 1.859 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](CC[C@@H]3CCc4ccccc43)C2)C1 ZINC001031382584 697000920 /nfs/dbraw/zinc/00/09/20/697000920.db2.gz YRCDJKHKLZMIHP-DLBZAZTESA-N 2 1 327.472 1.859 20 0 EDADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@H](O)CO)CC1 ZINC000930072094 697273460 /nfs/dbraw/zinc/27/34/60/697273460.db2.gz PFZHJHAVWDSQHT-INIZCTEOSA-N 2 1 346.393 1.955 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001031594880 697294764 /nfs/dbraw/zinc/29/47/64/697294764.db2.gz LSWUBMXQUOFAFU-KRWDZBQOSA-N 2 1 337.508 1.581 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001031594880 697294765 /nfs/dbraw/zinc/29/47/65/697294765.db2.gz LSWUBMXQUOFAFU-KRWDZBQOSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C)c1 ZINC001031597196 697296657 /nfs/dbraw/zinc/29/66/57/697296657.db2.gz WMBPTAHWBYHOAH-GOSISDBHSA-N 2 1 331.460 1.182 20 0 EDADMP CN1CCO[C@H](C(=O)NCC2CN([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC001031596255 697296740 /nfs/dbraw/zinc/29/67/40/697296740.db2.gz JBCAKIDDUDELEP-MSOLQXFVSA-N 2 1 347.434 1.192 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000352744722 697333435 /nfs/dbraw/zinc/33/34/35/697333435.db2.gz QEMDJKBZLKGQPN-DLBZAZTESA-N 2 1 325.497 1.866 20 0 EDADMP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031689574 697531261 /nfs/dbraw/zinc/53/12/61/697531261.db2.gz WETFGMGPBZYBBQ-RBUKOAKNSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2conc2C)C1 ZINC000995035758 700179392 /nfs/dbraw/zinc/17/93/92/700179392.db2.gz IQSAEYRYHTVEHF-HOCLYGCPSA-N 2 1 331.420 1.563 20 0 EDADMP CC[C@H](C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1)OC ZINC001031729619 698055514 /nfs/dbraw/zinc/05/55/14/698055514.db2.gz RDBZVVXQZSSERG-IAGOWNOFSA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943518496 698433621 /nfs/dbraw/zinc/43/36/21/698433621.db2.gz SWCYPMBICKOAOH-SJLPKXTDSA-N 2 1 347.507 1.851 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3nncs3)CC2)CC[N@H+]1C ZINC000940116808 700248874 /nfs/dbraw/zinc/24/88/74/700248874.db2.gz HUIYTZYTMVWBKS-CHWSQXEVSA-N 2 1 337.493 1.349 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C)CC1 ZINC000943756755 698833400 /nfs/dbraw/zinc/83/34/00/698833400.db2.gz VROKXWZFLRFHBT-SJLPKXTDSA-N 2 1 347.507 1.479 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881851 699013813 /nfs/dbraw/zinc/01/38/13/699013813.db2.gz KBRGPADWPIUEDA-RDJZCZTQSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1nc2c([nH]1)CC[C@H](C(=O)NCC1C[NH+](C[C@@H]3CCCCO3)C1)C2 ZINC001031788966 699240365 /nfs/dbraw/zinc/24/03/65/699240365.db2.gz LGQBWPQJVNCEPB-HOTGVXAUSA-N 2 1 346.475 1.440 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941675020 701614893 /nfs/dbraw/zinc/61/48/93/701614893.db2.gz QIQAXUCZTCSBJA-GOSISDBHSA-N 2 1 334.508 1.099 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC000939756682 699923094 /nfs/dbraw/zinc/92/30/94/699923094.db2.gz VRNJVLFKODIMAQ-YJBOKZPZSA-N 2 1 326.444 1.871 20 0 EDADMP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000941668025 701622307 /nfs/dbraw/zinc/62/23/07/701622307.db2.gz BXCVPIIKBCKJMI-OAHLLOKOSA-N 2 1 333.480 1.066 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)oc1C ZINC000940328359 700506269 /nfs/dbraw/zinc/50/62/69/700506269.db2.gz HPEZQEIZFDDRLS-CZUORRHYSA-N 2 1 348.491 1.960 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccccn2)CC1 ZINC000940328661 700506717 /nfs/dbraw/zinc/50/67/17/700506717.db2.gz MQDBVIYAJXRRKO-DOTOQJQBSA-N 2 1 330.476 1.750 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]CC3CCOCC3)CC2)C1 ZINC000940328587 700506796 /nfs/dbraw/zinc/50/67/96/700506796.db2.gz LAVDKUPZSRSHOM-INIZCTEOSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC000940329164 700508249 /nfs/dbraw/zinc/50/82/49/700508249.db2.gz QLIXXKVAUILPRL-OAHLLOKOSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000940426079 700619608 /nfs/dbraw/zinc/61/96/08/700619608.db2.gz FBSZPQIPDWLBAB-OAHLLOKOSA-N 2 1 334.464 1.796 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nncn2C)CC1 ZINC000940471947 700657281 /nfs/dbraw/zinc/65/72/81/700657281.db2.gz CQKHVWWEPSMPFB-OAHLLOKOSA-N 2 1 348.495 1.160 20 0 EDADMP CC[C@H](C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1)OC ZINC000940894422 700985487 /nfs/dbraw/zinc/98/54/87/700985487.db2.gz ZVQGRVCKVJOKID-HZPDHXFCSA-N 2 1 336.480 1.833 20 0 EDADMP CC[C@H](C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1)OC ZINC000940894422 700985489 /nfs/dbraw/zinc/98/54/89/700985489.db2.gz ZVQGRVCKVJOKID-HZPDHXFCSA-N 2 1 336.480 1.833 20 0 EDADMP Cc1noc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000995135823 701432788 /nfs/dbraw/zinc/43/27/88/701432788.db2.gz SJZGHWFTYPUZMD-HZPDHXFCSA-N 2 1 349.479 1.484 20 0 EDADMP CCC(CC)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941345536 701480946 /nfs/dbraw/zinc/48/09/46/701480946.db2.gz VWPBWUBBXWEQFW-SFHVURJKSA-N 2 1 336.524 1.345 20 0 EDADMP C[NH+]1CCC(C(=O)NCC2C[NH+](CCOc3ccccc3F)C2)CC1 ZINC001031949318 701524054 /nfs/dbraw/zinc/52/40/54/701524054.db2.gz MMRYMURDZRNJFK-UHFFFAOYSA-N 2 1 349.450 1.594 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)co1 ZINC000999175006 706606876 /nfs/dbraw/zinc/60/68/76/706606876.db2.gz SKXNGFCEKLZHDU-DOTOQJQBSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128805 701799919 /nfs/dbraw/zinc/79/99/19/701799919.db2.gz KRDZTMIPVVFAOA-WBVHZDCISA-N 2 1 334.464 1.651 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976765 701949463 /nfs/dbraw/zinc/94/94/63/701949463.db2.gz RRBRMAZZFISOEH-DOMZBBRYSA-N 2 1 334.464 1.291 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976765 701949467 /nfs/dbraw/zinc/94/94/67/701949467.db2.gz RRBRMAZZFISOEH-DOMZBBRYSA-N 2 1 334.464 1.291 20 0 EDADMP COc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1 ZINC001031976348 701959169 /nfs/dbraw/zinc/95/91/69/701959169.db2.gz JJUSWNCCBKJGHP-HNAYVOBHSA-N 2 1 345.487 1.483 20 0 EDADMP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000999189099 706630831 /nfs/dbraw/zinc/63/08/31/706630831.db2.gz IHHDSNNNETZGIV-DJIMGWMZSA-N 2 1 333.480 1.324 20 0 EDADMP Cc1ncsc1CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976975 702005090 /nfs/dbraw/zinc/00/50/90/702005090.db2.gz UQXCYGQDRZLMNC-IUODEOHRSA-N 2 1 336.505 1.240 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2(C)C)[nH]1 ZINC000995804118 702049694 /nfs/dbraw/zinc/04/96/94/702049694.db2.gz QXDWCXSMTRQOFC-HUUCEWRRSA-N 2 1 348.495 1.313 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2(C)C)[nH]1 ZINC000995804118 702049698 /nfs/dbraw/zinc/04/96/98/702049698.db2.gz QXDWCXSMTRQOFC-HUUCEWRRSA-N 2 1 348.495 1.313 20 0 EDADMP CC1CC(C[NH+]2CC(CNC(=O)c3cc(C[NH+]4CCCC4)on3)C2)C1 ZINC001031978316 702080041 /nfs/dbraw/zinc/08/00/41/702080041.db2.gz BTOOKICJUAUTKT-UHFFFAOYSA-N 2 1 346.475 1.978 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995870466 702173523 /nfs/dbraw/zinc/17/35/23/702173523.db2.gz IQHLSPKNLGVYPF-JKSUJKDBSA-N 2 1 334.464 1.876 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995870466 702173528 /nfs/dbraw/zinc/17/35/28/702173528.db2.gz IQHLSPKNLGVYPF-JKSUJKDBSA-N 2 1 334.464 1.876 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nccn3C)C2)CC[N@H+]1C ZINC000999203406 706648485 /nfs/dbraw/zinc/64/84/85/706648485.db2.gz BPEZVILJZABYOB-HRCADAONSA-N 2 1 333.480 1.231 20 0 EDADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000995898479 702202860 /nfs/dbraw/zinc/20/28/60/702202860.db2.gz UUEREMDECWBFPF-SJORKVTESA-N 2 1 347.507 1.440 20 0 EDADMP CCCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001032182869 702212962 /nfs/dbraw/zinc/21/29/62/702212962.db2.gz UEFJHSSCOLIBAL-HNNXBMFYSA-N 2 1 334.464 1.435 20 0 EDADMP CCCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001032182869 702212968 /nfs/dbraw/zinc/21/29/68/702212968.db2.gz UEFJHSSCOLIBAL-HNNXBMFYSA-N 2 1 334.464 1.435 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)co1 ZINC000995888887 702228515 /nfs/dbraw/zinc/22/85/15/702228515.db2.gz SQETXTYLRQYBMZ-OAHLLOKOSA-N 2 1 334.464 1.794 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]Cc2cncs2)C(C)(C)C1)C1CCC1 ZINC000995920199 702241575 /nfs/dbraw/zinc/24/15/75/702241575.db2.gz TXNBPGOHAYNOAL-OAHLLOKOSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995913868 702273423 /nfs/dbraw/zinc/27/34/23/702273423.db2.gz BXTAQIRENBBGQY-MRXNPFEDSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995964421 702309280 /nfs/dbraw/zinc/30/92/80/702309280.db2.gz ANUKBNSXEIAXEN-IAGOWNOFSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1cccc(C)c1OCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186314 702322914 /nfs/dbraw/zinc/32/29/14/702322914.db2.gz NJIJVPLAAVCHOR-GOSISDBHSA-N 2 1 345.487 1.682 20 0 EDADMP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001032664805 706659885 /nfs/dbraw/zinc/65/98/85/706659885.db2.gz SXMBGIDSVCXOAA-PMPSAXMXSA-N 2 1 334.464 1.717 20 0 EDADMP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001032664805 706659888 /nfs/dbraw/zinc/65/98/88/706659888.db2.gz SXMBGIDSVCXOAA-PMPSAXMXSA-N 2 1 334.464 1.717 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccns2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944167267 702405451 /nfs/dbraw/zinc/40/54/51/702405451.db2.gz CDBAZZOXQGWIGU-UKRRQHHQSA-N 2 1 334.489 1.566 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)sn1 ZINC000944168258 702407819 /nfs/dbraw/zinc/40/78/19/702407819.db2.gz IGLVXTSHFQNWJO-XJKSGUPXSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1 ZINC000996042163 702458336 /nfs/dbraw/zinc/45/83/36/702458336.db2.gz KAZBEUVFDWDSFB-MRXNPFEDSA-N 2 1 345.422 1.752 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1 ZINC000996042162 702458529 /nfs/dbraw/zinc/45/85/29/702458529.db2.gz KAZBEUVFDWDSFB-INIZCTEOSA-N 2 1 345.422 1.752 20 0 EDADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942058105 702508513 /nfs/dbraw/zinc/50/85/13/702508513.db2.gz TVMUWULBDRDJIY-DLBZAZTESA-N 2 1 349.523 1.931 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CC3CCC3)C(C)(C)C2)C1 ZINC000996186709 702591164 /nfs/dbraw/zinc/59/11/64/702591164.db2.gz IXOKSRGFWKLLSN-SJORKVTESA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CC3CCC3)C(C)(C)C2)C1 ZINC000996186709 702591167 /nfs/dbraw/zinc/59/11/67/702591167.db2.gz IXOKSRGFWKLLSN-SJORKVTESA-N 2 1 337.508 1.722 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)cn1 ZINC000996300042 702691134 /nfs/dbraw/zinc/69/11/34/702691134.db2.gz JDHOURLQQXTKTB-PBHICJAKSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996301458 702693381 /nfs/dbraw/zinc/69/33/81/702693381.db2.gz TWIDTFDLBQUVJN-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1 ZINC000996301984 702694122 /nfs/dbraw/zinc/69/41/22/702694122.db2.gz VRKJZXFJNQVFGX-WBVHZDCISA-N 2 1 347.507 1.274 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996302567 702694398 /nfs/dbraw/zinc/69/43/98/702694398.db2.gz XGTITCQZNDOWJJ-RDJZCZTQSA-N 2 1 337.508 1.724 20 0 EDADMP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996302757 702694636 /nfs/dbraw/zinc/69/46/36/702694636.db2.gz YWGLCCRCMPDQQJ-JKSUJKDBSA-N 2 1 347.507 1.714 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)C(C)(C)C1 ZINC000996372440 702740089 /nfs/dbraw/zinc/74/00/89/702740089.db2.gz ADDVYBXLGDIVNX-JKSUJKDBSA-N 2 1 348.491 1.870 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)o1 ZINC000942260178 702769504 /nfs/dbraw/zinc/76/95/04/702769504.db2.gz WYCJMFWVPSHSMC-HOCLYGCPSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)o1 ZINC000942260178 702769505 /nfs/dbraw/zinc/76/95/05/702769505.db2.gz WYCJMFWVPSHSMC-HOCLYGCPSA-N 2 1 346.475 1.938 20 0 EDADMP Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996512067 702831295 /nfs/dbraw/zinc/83/12/95/702831295.db2.gz ABVPQRTXJWGWTH-DOTOQJQBSA-N 2 1 347.507 1.131 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2nccnc2C)C(C)(C)C1 ZINC000996608737 702912000 /nfs/dbraw/zinc/91/20/00/702912000.db2.gz FHBCSTQXOQOQFE-INIZCTEOSA-N 2 1 342.447 1.317 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3nccs3)CC2)CC[N@H+]1C ZINC000996604026 702913347 /nfs/dbraw/zinc/91/33/47/702913347.db2.gz QIZKKPYANFGSNE-LSDHHAIUSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996616868 702924227 /nfs/dbraw/zinc/92/42/27/702924227.db2.gz UQKFWTRZHLJUSI-DLBZAZTESA-N 2 1 347.507 1.278 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996623071 702928253 /nfs/dbraw/zinc/92/82/53/702928253.db2.gz UZOUCYYDFJSWQX-ROUUACIJSA-N 2 1 344.459 1.025 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nonc2C)CC1 ZINC000996658930 702946024 /nfs/dbraw/zinc/94/60/24/702946024.db2.gz DKFPAOWINBPLFU-MRXNPFEDSA-N 2 1 335.452 1.333 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996668994 702970295 /nfs/dbraw/zinc/97/02/95/702970295.db2.gz NNISXUZMXPTPLS-SJLPKXTDSA-N 2 1 337.508 1.866 20 0 EDADMP Cn1ccnc1C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996692897 702990191 /nfs/dbraw/zinc/99/01/91/702990191.db2.gz ZWKUFQXZCATKTH-INIZCTEOSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)n1 ZINC000996712537 703007350 /nfs/dbraw/zinc/00/73/50/703007350.db2.gz QHBOGZBDIUOELB-HZPDHXFCSA-N 2 1 347.463 1.476 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)n1 ZINC000996712537 703007351 /nfs/dbraw/zinc/00/73/51/703007351.db2.gz QHBOGZBDIUOELB-HZPDHXFCSA-N 2 1 347.463 1.476 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996715369 703010142 /nfs/dbraw/zinc/01/01/42/703010142.db2.gz FSZKRBRFUFTCDG-GOEBONIOSA-N 2 1 349.504 1.636 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)o1 ZINC000996764539 703053018 /nfs/dbraw/zinc/05/30/18/703053018.db2.gz RJCACJPVKIBOMN-INIZCTEOSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)o1 ZINC000996764539 703053021 /nfs/dbraw/zinc/05/30/21/703053021.db2.gz RJCACJPVKIBOMN-INIZCTEOSA-N 2 1 349.479 1.579 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)sn1 ZINC000996799835 703086167 /nfs/dbraw/zinc/08/61/67/703086167.db2.gz ZSYAQAGCBYMQAJ-UHFFFAOYSA-N 2 1 349.460 1.437 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000996803537 703094107 /nfs/dbraw/zinc/09/41/07/703094107.db2.gz WPKJSRGTMVSZQR-UHFFFAOYSA-N 2 1 342.443 1.465 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597979 703112739 /nfs/dbraw/zinc/11/27/39/703112739.db2.gz PDXOVXUKUMOXTR-PBHICJAKSA-N 2 1 345.491 1.453 20 0 EDADMP CN1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCc2ccccc2)C1 ZINC001032331943 703113390 /nfs/dbraw/zinc/11/33/90/703113390.db2.gz NBOTUVSZOKPXHG-GBESFXJTSA-N 2 1 343.471 1.235 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)co1 ZINC000942598463 703113819 /nfs/dbraw/zinc/11/38/19/703113819.db2.gz XVJLHPFPSZGUII-GUYCJALGSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)co1 ZINC000942598463 703113820 /nfs/dbraw/zinc/11/38/20/703113820.db2.gz XVJLHPFPSZGUII-GUYCJALGSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nccnc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000996981878 703236477 /nfs/dbraw/zinc/23/64/77/703236477.db2.gz YIAMDDZDHGQHJM-KDOFPFPSSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)no1 ZINC000997000240 703257310 /nfs/dbraw/zinc/25/73/10/703257310.db2.gz OJWCECOHYNNGHH-OLZOCXBDSA-N 2 1 335.452 1.504 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)no1 ZINC000997000240 703257313 /nfs/dbraw/zinc/25/73/13/703257313.db2.gz OJWCECOHYNNGHH-OLZOCXBDSA-N 2 1 335.452 1.504 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([NH2+]CCn3cccn3)CC2)C1 ZINC000997002330 703258943 /nfs/dbraw/zinc/25/89/43/703258943.db2.gz VJTZJBLPDGVVJN-UHFFFAOYSA-N 2 1 333.480 1.196 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)[nH]1 ZINC000997005679 703263201 /nfs/dbraw/zinc/26/32/01/703263201.db2.gz IXEXQHKUBVSIPR-QWHCGFSZSA-N 2 1 334.468 1.097 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)C1 ZINC000997007134 703264487 /nfs/dbraw/zinc/26/44/87/703264487.db2.gz OVIPHPLZNIQEKJ-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)n1 ZINC000997094157 703332822 /nfs/dbraw/zinc/33/28/22/703332822.db2.gz SPWVMHUKSPSTBS-JKSUJKDBSA-N 2 1 347.463 1.476 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)n1 ZINC000997094157 703332824 /nfs/dbraw/zinc/33/28/24/703332824.db2.gz SPWVMHUKSPSTBS-JKSUJKDBSA-N 2 1 347.463 1.476 20 0 EDADMP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000997091675 703337662 /nfs/dbraw/zinc/33/76/62/703337662.db2.gz GEQNVSZCLBHDJH-WMZOPIPTSA-N 2 1 345.491 1.518 20 0 EDADMP CCOC1CC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001032700573 706738375 /nfs/dbraw/zinc/73/83/75/706738375.db2.gz RMDLANDZVICGGA-YBXZHIRMSA-N 2 1 349.519 1.819 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC1CCC1 ZINC001032400143 703411814 /nfs/dbraw/zinc/41/18/14/703411814.db2.gz VPCKAZWNTBQTGH-BQFCYCMXSA-N 2 1 335.492 1.713 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC1CCC1 ZINC001032400143 703411815 /nfs/dbraw/zinc/41/18/15/703411815.db2.gz VPCKAZWNTBQTGH-BQFCYCMXSA-N 2 1 335.492 1.713 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032400143 703411816 /nfs/dbraw/zinc/41/18/16/703411816.db2.gz VPCKAZWNTBQTGH-BQFCYCMXSA-N 2 1 335.492 1.713 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032400143 703411817 /nfs/dbraw/zinc/41/18/17/703411817.db2.gz VPCKAZWNTBQTGH-BQFCYCMXSA-N 2 1 335.492 1.713 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997178076 703464639 /nfs/dbraw/zinc/46/46/39/703464639.db2.gz BLSAMWCPEQXFJU-OAHLLOKOSA-N 2 1 331.464 1.207 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC000997260067 703539734 /nfs/dbraw/zinc/53/97/34/703539734.db2.gz DPIJHUGLOSGUHB-HLLBOEOZSA-N 2 1 345.491 1.849 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC000997260067 703539736 /nfs/dbraw/zinc/53/97/36/703539736.db2.gz DPIJHUGLOSGUHB-HLLBOEOZSA-N 2 1 345.491 1.849 20 0 EDADMP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997362673 703596574 /nfs/dbraw/zinc/59/65/74/703596574.db2.gz BAPDLZPFSBKLTJ-QGZVFWFLSA-N 2 1 347.507 1.858 20 0 EDADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705641 706756031 /nfs/dbraw/zinc/75/60/31/706756031.db2.gz DFLQQADQSRJUCG-IRXDYDNUSA-N 2 1 337.508 1.819 20 0 EDADMP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001032444036 703621145 /nfs/dbraw/zinc/62/11/45/703621145.db2.gz HXRJMGPQQPZCSG-BZSNNMDCSA-N 2 1 347.507 1.535 20 0 EDADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001032444036 703621147 /nfs/dbraw/zinc/62/11/47/703621147.db2.gz HXRJMGPQQPZCSG-BZSNNMDCSA-N 2 1 347.507 1.535 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCOc1ccccc1 ZINC001032480297 703721339 /nfs/dbraw/zinc/72/13/39/703721339.db2.gz WJNUNPUTUSUECU-LNLFQRSKSA-N 2 1 343.471 1.835 20 0 EDADMP Cc1ncccc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997605851 703903184 /nfs/dbraw/zinc/90/31/84/703903184.db2.gz IFNYBYXKQXPIQA-GOSISDBHSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ncn1 ZINC000997613802 703913318 /nfs/dbraw/zinc/91/33/18/703913318.db2.gz PYHNYAZSUNPDHD-QGZVFWFLSA-N 2 1 331.464 1.207 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(F)cc3)CC2)C1 ZINC000997644714 703953313 /nfs/dbraw/zinc/95/33/13/703953313.db2.gz KLOLKKIYMVKYDE-SFHVURJKSA-N 2 1 349.450 1.485 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(F)cc3)CC2)C1 ZINC000997644714 703953314 /nfs/dbraw/zinc/95/33/14/703953314.db2.gz KLOLKKIYMVKYDE-SFHVURJKSA-N 2 1 349.450 1.485 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)sn1 ZINC000995551006 703955289 /nfs/dbraw/zinc/95/52/89/703955289.db2.gz LMKSUOFZQDGOFI-GJZGRUSLSA-N 2 1 336.505 1.872 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nonc3C)C2)C1 ZINC000999284203 706777217 /nfs/dbraw/zinc/77/72/17/706777217.db2.gz SFIPFCPMWHDZPC-QQFBHYJXSA-N 2 1 349.479 1.579 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nonc3C)C2)C1 ZINC000999284203 706777219 /nfs/dbraw/zinc/77/72/19/706777219.db2.gz SFIPFCPMWHDZPC-QQFBHYJXSA-N 2 1 349.479 1.579 20 0 EDADMP CN1CCC[C@@H]1C(=O)N1C[C@@H](NCc2nnc(C3CC3)o2)C(C)(C)C1 ZINC000995554293 703969034 /nfs/dbraw/zinc/96/90/34/703969034.db2.gz VFIJQVHVHXNFQR-ZIAGYGMSSA-N 2 1 347.463 1.368 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001004208427 703969197 /nfs/dbraw/zinc/96/91/97/703969197.db2.gz PBZBMUKNTXMDJX-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033071233 704092171 /nfs/dbraw/zinc/09/21/71/704092171.db2.gz XVGODGUANCUMOI-MSOLQXFVSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033071233 704092174 /nfs/dbraw/zinc/09/21/74/704092174.db2.gz XVGODGUANCUMOI-MSOLQXFVSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033071233 704092176 /nfs/dbraw/zinc/09/21/76/704092176.db2.gz XVGODGUANCUMOI-MSOLQXFVSA-N 2 1 337.508 1.819 20 0 EDADMP Cc1nonc1CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000999292778 706789734 /nfs/dbraw/zinc/78/97/34/706789734.db2.gz FYXQBPSJCZJXSF-UJHNXHIOSA-N 2 1 335.452 1.187 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999292778 706789738 /nfs/dbraw/zinc/78/97/38/706789738.db2.gz FYXQBPSJCZJXSF-UJHNXHIOSA-N 2 1 335.452 1.187 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000999292778 706789740 /nfs/dbraw/zinc/78/97/40/706789740.db2.gz FYXQBPSJCZJXSF-UJHNXHIOSA-N 2 1 335.452 1.187 20 0 EDADMP Cc1ccnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC000999294018 706791126 /nfs/dbraw/zinc/79/11/26/706791126.db2.gz PKOOLRDQTRMMGM-JUVOFCAFSA-N 2 1 345.491 1.594 20 0 EDADMP Cc1ccnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n1 ZINC000999294018 706791130 /nfs/dbraw/zinc/79/11/30/706791130.db2.gz PKOOLRDQTRMMGM-JUVOFCAFSA-N 2 1 345.491 1.594 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033083571 704142001 /nfs/dbraw/zinc/14/20/01/704142001.db2.gz YEMOFUATVMWOLG-RTBURBONSA-N 2 1 349.519 1.678 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033083728 704142932 /nfs/dbraw/zinc/14/29/32/704142932.db2.gz ZQRCILIXCQXNQO-IRXDYDNUSA-N 2 1 346.475 1.612 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033083728 704142933 /nfs/dbraw/zinc/14/29/33/704142933.db2.gz ZQRCILIXCQXNQO-IRXDYDNUSA-N 2 1 346.475 1.612 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000999308066 706808802 /nfs/dbraw/zinc/80/88/02/706808802.db2.gz OUHDNVDPAMXYPT-QZTJIDSGSA-N 2 1 347.507 1.684 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999301870 706805313 /nfs/dbraw/zinc/80/53/13/706805313.db2.gz DGVAFFJKMZSYNW-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ccns1 ZINC000947936325 704664658 /nfs/dbraw/zinc/66/46/58/704664658.db2.gz VJBLJUCTUOMLFR-UONOGXRCSA-N 2 1 334.489 1.708 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1ccns1 ZINC000947936325 704664660 /nfs/dbraw/zinc/66/46/60/704664660.db2.gz VJBLJUCTUOMLFR-UONOGXRCSA-N 2 1 334.489 1.708 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000997778630 704680835 /nfs/dbraw/zinc/68/08/35/704680835.db2.gz ZUCIYGGEOSUBKI-QGZVFWFLSA-N 2 1 345.491 1.678 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3nccn3C)CC2)CC[N@H+]1C ZINC000997785948 704690633 /nfs/dbraw/zinc/69/06/33/704690633.db2.gz OGGNGOSRZPJLKK-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)C1 ZINC000997826116 704745335 /nfs/dbraw/zinc/74/53/35/704745335.db2.gz JMGFCZLPJZAIJV-MRXNPFEDSA-N 2 1 349.479 1.376 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1)C1CCC1 ZINC000997830635 704747320 /nfs/dbraw/zinc/74/73/20/704747320.db2.gz KWGISZZBFFZJEJ-UHFFFAOYSA-N 2 1 331.464 1.289 20 0 EDADMP Cc1ccncc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944943654 704796204 /nfs/dbraw/zinc/79/62/04/704796204.db2.gz JHQLVCXROLNYHE-SJLPKXTDSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944945604 704798547 /nfs/dbraw/zinc/79/85/47/704798547.db2.gz SKDKCONWUDKWNF-ZBFHGGJFSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1ncccc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944946241 704799422 /nfs/dbraw/zinc/79/94/22/704799422.db2.gz VYPKKMJOFWDLIM-QAPCUYQASA-N 2 1 330.476 1.812 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)Cn3ccnc3C)[C@@H](C)C2)o1 ZINC000944963520 704828698 /nfs/dbraw/zinc/82/86/98/704828698.db2.gz BKLBGFXHFCKVIF-LRDDRELGSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944963520 704828705 /nfs/dbraw/zinc/82/87/05/704828705.db2.gz BKLBGFXHFCKVIF-LRDDRELGSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1nccn1CC(=O)N[C@H]1CC[N@H+](CCC(F)(F)F)C[C@@H]1C ZINC000944965639 704836712 /nfs/dbraw/zinc/83/67/12/704836712.db2.gz TVUHJLUVJRANGX-AAEUAGOBSA-N 2 1 332.370 1.971 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC(F)(F)F)C[C@@H]1C ZINC000944965639 704836720 /nfs/dbraw/zinc/83/67/20/704836720.db2.gz TVUHJLUVJRANGX-AAEUAGOBSA-N 2 1 332.370 1.971 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC(F)(F)F)C[C@@H]1C ZINC000944965639 704836727 /nfs/dbraw/zinc/83/67/27/704836727.db2.gz TVUHJLUVJRANGX-AAEUAGOBSA-N 2 1 332.370 1.971 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000997950259 705075763 /nfs/dbraw/zinc/07/57/63/705075763.db2.gz RDQVUXBEGRMARC-QZTJIDSGSA-N 2 1 347.507 1.680 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000997950259 705075765 /nfs/dbraw/zinc/07/57/65/705075765.db2.gz RDQVUXBEGRMARC-QZTJIDSGSA-N 2 1 347.507 1.680 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000997950259 705075768 /nfs/dbraw/zinc/07/57/68/705075768.db2.gz RDQVUXBEGRMARC-QZTJIDSGSA-N 2 1 347.507 1.680 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000997950258 705075878 /nfs/dbraw/zinc/07/58/78/705075878.db2.gz RDQVUXBEGRMARC-MSOLQXFVSA-N 2 1 347.507 1.680 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000997950258 705075880 /nfs/dbraw/zinc/07/58/80/705075880.db2.gz RDQVUXBEGRMARC-MSOLQXFVSA-N 2 1 347.507 1.680 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000997950258 705075883 /nfs/dbraw/zinc/07/58/83/705075883.db2.gz RDQVUXBEGRMARC-MSOLQXFVSA-N 2 1 347.507 1.680 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000998081195 705301391 /nfs/dbraw/zinc/30/13/91/705301391.db2.gz GSHBPQNMHXFSQX-UKRRQHHQSA-N 2 1 336.505 1.669 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)oc1C ZINC000998080540 705306481 /nfs/dbraw/zinc/30/64/81/705306481.db2.gz CXLZEGZPCBCBQY-AWEZNQCLSA-N 2 1 348.491 1.961 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC000998176774 705473239 /nfs/dbraw/zinc/47/32/39/705473239.db2.gz OBISMNUIJBQVDH-ROUUACIJSA-N 2 1 349.519 1.822 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)on1 ZINC000998216416 705538461 /nfs/dbraw/zinc/53/84/61/705538461.db2.gz HTRFPQBSZXBGTD-MRXNPFEDSA-N 2 1 334.464 1.653 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000998266034 705638145 /nfs/dbraw/zinc/63/81/45/705638145.db2.gz OOFDEAVYAHCASJ-DOMZBBRYSA-N 2 1 335.452 1.219 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000998266034 705638148 /nfs/dbraw/zinc/63/81/48/705638148.db2.gz OOFDEAVYAHCASJ-DOMZBBRYSA-N 2 1 335.452 1.219 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccccc2F)C1 ZINC001032628045 705740775 /nfs/dbraw/zinc/74/07/75/705740775.db2.gz OOBPFKNLIBCHOI-SZMVWBNQSA-N 2 1 345.462 1.995 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccccc2F)C1 ZINC001032628045 705740777 /nfs/dbraw/zinc/74/07/77/705740777.db2.gz OOBPFKNLIBCHOI-SZMVWBNQSA-N 2 1 345.462 1.995 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccccc2F)C1 ZINC001032628045 705740779 /nfs/dbraw/zinc/74/07/79/705740779.db2.gz OOBPFKNLIBCHOI-SZMVWBNQSA-N 2 1 345.462 1.995 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccccc2F)C1 ZINC001032628045 705740782 /nfs/dbraw/zinc/74/07/82/705740782.db2.gz OOBPFKNLIBCHOI-SZMVWBNQSA-N 2 1 345.462 1.995 20 0 EDADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c(C)n1 ZINC000998547866 705982928 /nfs/dbraw/zinc/98/29/28/705982928.db2.gz BICDZNUIKKAPGD-DAWZGUTISA-N 2 1 330.476 1.872 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCCC3)C2)o1 ZINC000998771617 706213793 /nfs/dbraw/zinc/21/37/93/706213793.db2.gz ZDIDLQFESZPRQW-UHFFFAOYSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998792148 706239026 /nfs/dbraw/zinc/23/90/26/706239026.db2.gz UIYDJCPKVKSHTP-PRLABOORSA-N 2 1 331.464 1.204 20 0 EDADMP Cc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998815753 706257798 /nfs/dbraw/zinc/25/77/98/706257798.db2.gz APHNDTBNBTVGFT-MSOLQXFVSA-N 2 1 331.460 1.406 20 0 EDADMP Cc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998815753 706257800 /nfs/dbraw/zinc/25/78/00/706257800.db2.gz APHNDTBNBTVGFT-MSOLQXFVSA-N 2 1 331.460 1.406 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998824372 706271191 /nfs/dbraw/zinc/27/11/91/706271191.db2.gz KDSDYEWSGSKYOR-FUHWJXTLSA-N 2 1 347.459 1.106 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998824372 706271194 /nfs/dbraw/zinc/27/11/94/706271194.db2.gz KDSDYEWSGSKYOR-FUHWJXTLSA-N 2 1 347.459 1.106 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)ccn1 ZINC000998996232 706413821 /nfs/dbraw/zinc/41/38/21/706413821.db2.gz XXUUSKIGIHCFIZ-OFLPRAFFSA-N 2 1 346.475 1.654 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCn4cncc4C3)C2)no1 ZINC000999003061 706442567 /nfs/dbraw/zinc/44/25/67/706442567.db2.gz CGKDEDAJWVMENY-HLIUYOAVSA-N 2 1 343.431 1.521 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H]3CCCCO3)C[C@H]2CC1 ZINC000946517172 706519194 /nfs/dbraw/zinc/51/91/94/706519194.db2.gz ALQDBKKITDVBTE-FCGDIQPGSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2CC1 ZINC000946517172 706519197 /nfs/dbraw/zinc/51/91/97/706519197.db2.gz ALQDBKKITDVBTE-FCGDIQPGSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2CC1 ZINC000946517172 706519201 /nfs/dbraw/zinc/51/92/01/706519201.db2.gz ALQDBKKITDVBTE-FCGDIQPGSA-N 2 1 349.519 1.820 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cccnc3)C[C@H]2CC1 ZINC000946517248 706522207 /nfs/dbraw/zinc/52/22/07/706522207.db2.gz CZBGBDFERCDLNF-CEXWTWQISA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2CC1 ZINC000946517248 706522211 /nfs/dbraw/zinc/52/22/11/706522211.db2.gz CZBGBDFERCDLNF-CEXWTWQISA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2CC1 ZINC000946517248 706522213 /nfs/dbraw/zinc/52/22/13/706522213.db2.gz CZBGBDFERCDLNF-CEXWTWQISA-N 2 1 342.487 1.846 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999124255 706548923 /nfs/dbraw/zinc/54/89/23/706548923.db2.gz XWZXCWPEYGHICS-UHFFFAOYSA-N 2 1 340.387 1.419 20 0 EDADMP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999145798 706559655 /nfs/dbraw/zinc/55/96/55/706559655.db2.gz SVSVKHQZVHHNOR-AEFFLSMTSA-N 2 1 345.491 1.738 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000999342885 706854699 /nfs/dbraw/zinc/85/46/99/706854699.db2.gz ORODJMXZJKSATH-UHFFFAOYSA-N 2 1 346.475 1.973 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC000999351694 706864578 /nfs/dbraw/zinc/86/45/78/706864578.db2.gz HECKDGXJRRDWQU-HOTGVXAUSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC000999351694 706864580 /nfs/dbraw/zinc/86/45/80/706864580.db2.gz HECKDGXJRRDWQU-HOTGVXAUSA-N 2 1 348.495 1.159 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)nn1C ZINC000999398035 706892526 /nfs/dbraw/zinc/89/25/26/706892526.db2.gz BBDUTQRSTVDNJP-AEFFLSMTSA-N 2 1 347.507 1.684 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999399184 706893759 /nfs/dbraw/zinc/89/37/59/706893759.db2.gz FNWLXXBJYIXXQS-HOTGVXAUSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999399184 706893762 /nfs/dbraw/zinc/89/37/62/706893762.db2.gz FNWLXXBJYIXXQS-HOTGVXAUSA-N 2 1 334.464 1.938 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999402183 706910360 /nfs/dbraw/zinc/91/03/60/706910360.db2.gz FOBPUHBVZJHBLG-UHFFFAOYSA-N 2 1 333.480 1.231 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)ccn1 ZINC000999407375 706916960 /nfs/dbraw/zinc/91/69/60/706916960.db2.gz UNROHSXLGREPMI-OOHWJJMZSA-N 2 1 346.475 1.654 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)[nH]1 ZINC000999407730 706917625 /nfs/dbraw/zinc/91/76/25/706917625.db2.gz FIKSQJVXHDQQQT-GRTSSRMGSA-N 2 1 348.495 1.485 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC000999509785 707007535 /nfs/dbraw/zinc/00/75/35/707007535.db2.gz KORMPWQSZIHJOE-IRXDYDNUSA-N 2 1 346.475 1.655 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999510751 707009024 /nfs/dbraw/zinc/00/90/24/707009024.db2.gz LXUIYRMMDAAXRU-RBUKOAKNSA-N 2 1 345.487 1.744 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000999488827 707025037 /nfs/dbraw/zinc/02/50/37/707025037.db2.gz PVJMXHBQJFOFQS-UHFFFAOYSA-N 2 1 344.463 1.482 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000999573985 707080537 /nfs/dbraw/zinc/08/05/37/707080537.db2.gz LPQMZHAMIDRWAI-NVXWUHKLSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000999573985 707080539 /nfs/dbraw/zinc/08/05/39/707080539.db2.gz LPQMZHAMIDRWAI-NVXWUHKLSA-N 2 1 348.495 1.016 20 0 EDADMP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946689531 707121374 /nfs/dbraw/zinc/12/13/74/707121374.db2.gz DZYBCLLUPSLVKZ-FNYPPERVSA-N 2 1 333.476 1.040 20 0 EDADMP CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946689531 707121377 /nfs/dbraw/zinc/12/13/77/707121377.db2.gz DZYBCLLUPSLVKZ-FNYPPERVSA-N 2 1 333.476 1.040 20 0 EDADMP CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946689531 707121382 /nfs/dbraw/zinc/12/13/82/707121382.db2.gz DZYBCLLUPSLVKZ-FNYPPERVSA-N 2 1 333.476 1.040 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)oc1C ZINC000999682576 707168369 /nfs/dbraw/zinc/16/83/69/707168369.db2.gz PYIVPNHSHXKCFZ-FHERZECASA-N 2 1 334.464 1.712 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)oc1C ZINC000999682576 707168371 /nfs/dbraw/zinc/16/83/71/707168371.db2.gz PYIVPNHSHXKCFZ-FHERZECASA-N 2 1 334.464 1.712 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000999725796 707267699 /nfs/dbraw/zinc/26/76/99/707267699.db2.gz NLIDXFGPZRQMDT-CQSZACIVSA-N 2 1 326.391 1.817 20 0 EDADMP CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731605 707270939 /nfs/dbraw/zinc/27/09/39/707270939.db2.gz SZQNTSJIKCSTAQ-KSZLIROESA-N 2 1 337.508 1.676 20 0 EDADMP CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731605 707270943 /nfs/dbraw/zinc/27/09/43/707270943.db2.gz SZQNTSJIKCSTAQ-KSZLIROESA-N 2 1 337.508 1.676 20 0 EDADMP CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731605 707270946 /nfs/dbraw/zinc/27/09/46/707270946.db2.gz SZQNTSJIKCSTAQ-KSZLIROESA-N 2 1 337.508 1.676 20 0 EDADMP CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731605 707270951 /nfs/dbraw/zinc/27/09/51/707270951.db2.gz SZQNTSJIKCSTAQ-KSZLIROESA-N 2 1 337.508 1.676 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001033264159 707284352 /nfs/dbraw/zinc/28/43/52/707284352.db2.gz APEXSQDWUJLDII-KRWDZBQOSA-N 2 1 327.432 1.628 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC001033264159 707284355 /nfs/dbraw/zinc/28/43/55/707284355.db2.gz APEXSQDWUJLDII-KRWDZBQOSA-N 2 1 327.432 1.628 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC001060885211 707287833 /nfs/dbraw/zinc/28/78/33/707287833.db2.gz KYMZWTQCKGMDGW-HNNXBMFYSA-N 2 1 331.464 1.696 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2sc(C)nc2C)C1 ZINC001033265887 707290943 /nfs/dbraw/zinc/29/09/43/707290943.db2.gz KUKCLQZLTBDTRW-HNNXBMFYSA-N 2 1 347.488 1.998 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2sc(C)nc2C)C1 ZINC001033265887 707290945 /nfs/dbraw/zinc/29/09/45/707290945.db2.gz KUKCLQZLTBDTRW-HNNXBMFYSA-N 2 1 347.488 1.998 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001033265988 707291114 /nfs/dbraw/zinc/29/11/14/707291114.db2.gz LSCVGSLUXJHOCD-DLBZAZTESA-N 2 1 334.464 1.541 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001033265988 707291118 /nfs/dbraw/zinc/29/11/18/707291118.db2.gz LSCVGSLUXJHOCD-DLBZAZTESA-N 2 1 334.464 1.541 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033265861 707291150 /nfs/dbraw/zinc/29/11/50/707291150.db2.gz KNWZVTPLTYUYOI-ZWKOTPCHSA-N 2 1 342.443 1.458 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033265861 707291152 /nfs/dbraw/zinc/29/11/52/707291152.db2.gz KNWZVTPLTYUYOI-ZWKOTPCHSA-N 2 1 342.443 1.458 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000999709775 707303325 /nfs/dbraw/zinc/30/33/25/707303325.db2.gz PTODEROOZVTMGH-WLYUNCDWSA-N 2 1 332.448 1.719 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2CC1)[NH+](C)C ZINC000946784775 707315273 /nfs/dbraw/zinc/31/52/73/707315273.db2.gz TUOSUJDPAJOBNX-KSZLIROESA-N 2 1 347.507 1.431 20 0 EDADMP CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033270211 707319708 /nfs/dbraw/zinc/31/97/08/707319708.db2.gz ZHWNWTAYJDBTRR-CABCVRRESA-N 2 1 334.464 1.330 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033270211 707319712 /nfs/dbraw/zinc/31/97/12/707319712.db2.gz ZHWNWTAYJDBTRR-CABCVRRESA-N 2 1 334.464 1.330 20 0 EDADMP C[C@H](C[NH2+]Cc1nc(Br)c[nH]1)CN1CC[NH+](C)CC1 ZINC000921686948 707344885 /nfs/dbraw/zinc/34/48/85/707344885.db2.gz ZQSQDJKTKSVKMR-LLVKDONJSA-N 2 1 330.274 1.145 20 0 EDADMP Cc1ncsc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033197568 707416046 /nfs/dbraw/zinc/41/60/46/707416046.db2.gz INRKRAHYGQKFJU-GJZGRUSLSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033197568 707416050 /nfs/dbraw/zinc/41/60/50/707416050.db2.gz INRKRAHYGQKFJU-GJZGRUSLSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033197568 707416053 /nfs/dbraw/zinc/41/60/53/707416053.db2.gz INRKRAHYGQKFJU-GJZGRUSLSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033197568 707416055 /nfs/dbraw/zinc/41/60/55/707416055.db2.gz INRKRAHYGQKFJU-GJZGRUSLSA-N 2 1 336.505 1.969 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC000999836285 707471595 /nfs/dbraw/zinc/47/15/95/707471595.db2.gz JBUFCYZQGIIOGM-QQFBHYJXSA-N 2 1 332.448 1.121 20 0 EDADMP CC(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999962302 707625982 /nfs/dbraw/zinc/62/59/82/707625982.db2.gz LKBORRNAIASBJQ-DLBZAZTESA-N 2 1 348.495 1.281 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999986283 707657364 /nfs/dbraw/zinc/65/73/64/707657364.db2.gz HBTVCWNBSUEQSF-DJIMGWMZSA-N 2 1 348.495 1.137 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999986283 707657366 /nfs/dbraw/zinc/65/73/66/707657366.db2.gz HBTVCWNBSUEQSF-DJIMGWMZSA-N 2 1 348.495 1.137 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999986283 707657369 /nfs/dbraw/zinc/65/73/69/707657369.db2.gz HBTVCWNBSUEQSF-DJIMGWMZSA-N 2 1 348.495 1.137 20 0 EDADMP CC[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1)OC ZINC001033365233 707659470 /nfs/dbraw/zinc/65/94/70/707659470.db2.gz DWKUXORZTIEYSC-HZPDHXFCSA-N 2 1 337.464 1.913 20 0 EDADMP CC[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1)OC ZINC001033365233 707659473 /nfs/dbraw/zinc/65/94/73/707659473.db2.gz DWKUXORZTIEYSC-HZPDHXFCSA-N 2 1 337.464 1.913 20 0 EDADMP CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999992102 707668607 /nfs/dbraw/zinc/66/86/07/707668607.db2.gz OPMCCFRLAAGSPJ-IAGOWNOFSA-N 2 1 348.495 1.424 20 0 EDADMP CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999992102 707668608 /nfs/dbraw/zinc/66/86/08/707668608.db2.gz OPMCCFRLAAGSPJ-IAGOWNOFSA-N 2 1 348.495 1.424 20 0 EDADMP CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)nn2)C1 ZINC000999992102 707668610 /nfs/dbraw/zinc/66/86/10/707668610.db2.gz OPMCCFRLAAGSPJ-IAGOWNOFSA-N 2 1 348.495 1.424 20 0 EDADMP CCc1nc(NC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)cc(C)[nH+]1 ZINC001060899642 707693350 /nfs/dbraw/zinc/69/33/50/707693350.db2.gz IJRJADJYEIBREM-GJZGRUSLSA-N 2 1 333.480 1.948 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1)C1CCC1 ZINC001033396106 707734626 /nfs/dbraw/zinc/73/46/26/707734626.db2.gz LSZAKDGDPKWECW-ZWKOTPCHSA-N 2 1 337.508 1.676 20 0 EDADMP Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC001000194467 707831177 /nfs/dbraw/zinc/83/11/77/707831177.db2.gz VPWGWHFHCVMROO-YJBOKZPZSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC001033422033 707835867 /nfs/dbraw/zinc/83/58/67/707835867.db2.gz FAVSMWMGGVUBDP-WMZOPIPTSA-N 2 1 347.507 1.517 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)n1 ZINC001033422033 707835870 /nfs/dbraw/zinc/83/58/70/707835870.db2.gz FAVSMWMGGVUBDP-WMZOPIPTSA-N 2 1 347.507 1.517 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)n1 ZINC001033422033 707835872 /nfs/dbraw/zinc/83/58/72/707835872.db2.gz FAVSMWMGGVUBDP-WMZOPIPTSA-N 2 1 347.507 1.517 20 0 EDADMP Cc1cc(N2CC[C@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc(C)[nH+]1 ZINC001061653759 707854966 /nfs/dbraw/zinc/85/49/66/707854966.db2.gz ZKGATTRJYBDEGR-WBVHZDCISA-N 2 1 343.475 1.378 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033440668 707869891 /nfs/dbraw/zinc/86/98/91/707869891.db2.gz SDXZXFAQYIVRIA-QRVBRYPASA-N 2 1 345.487 1.247 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033440668 707869893 /nfs/dbraw/zinc/86/98/93/707869893.db2.gz SDXZXFAQYIVRIA-QRVBRYPASA-N 2 1 345.487 1.247 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033440668 707869897 /nfs/dbraw/zinc/86/98/97/707869897.db2.gz SDXZXFAQYIVRIA-QRVBRYPASA-N 2 1 345.487 1.247 20 0 EDADMP Cc1nonc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004992293 707873266 /nfs/dbraw/zinc/87/32/66/707873266.db2.gz NURJDQTZBMYMQO-HOCLYGCPSA-N 2 1 335.452 1.333 20 0 EDADMP Cc1ncc(CN[C@H](C)[C@@H]2CCCCN2C(=O)Cn2ccnc2)o1 ZINC001005007741 707922300 /nfs/dbraw/zinc/92/23/00/707922300.db2.gz FKZQVHGCNAWKQX-CJNGLKHVSA-N 2 1 331.420 1.739 20 0 EDADMP CCc1cc(NC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nc(C)[nH+]1 ZINC001060933737 707952452 /nfs/dbraw/zinc/95/24/52/707952452.db2.gz SIBAEUVCJUWHNK-KSSFIOAISA-N 2 1 345.491 1.948 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032802596 708089315 /nfs/dbraw/zinc/08/93/15/708089315.db2.gz FRMIKPRUQFMXIJ-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032802596 708089319 /nfs/dbraw/zinc/08/93/19/708089319.db2.gz FRMIKPRUQFMXIJ-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CC[NH+](Cc2cccnc2)CC1 ZINC001001152190 708108089 /nfs/dbraw/zinc/10/80/89/708108089.db2.gz POCRRKOPGVJCAP-MAUKXSAKSA-N 2 1 328.460 1.528 20 0 EDADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCC1=CC[N@H+](Cc2cccnc2)CC1 ZINC001001152190 708108091 /nfs/dbraw/zinc/10/80/91/708108091.db2.gz POCRRKOPGVJCAP-MAUKXSAKSA-N 2 1 328.460 1.528 20 0 EDADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCC1=CC[N@@H+](Cc2cccnc2)CC1 ZINC001001152190 708108093 /nfs/dbraw/zinc/10/80/93/708108093.db2.gz POCRRKOPGVJCAP-MAUKXSAKSA-N 2 1 328.460 1.528 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001005178457 708120609 /nfs/dbraw/zinc/12/06/09/708120609.db2.gz IZWNXOAEOGYZBN-IBGZPJMESA-N 2 1 345.487 1.696 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC001033594338 708295940 /nfs/dbraw/zinc/29/59/40/708295940.db2.gz OUNDYZUQZMJURW-SJORKVTESA-N 2 1 335.492 1.430 20 0 EDADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033594549 708296723 /nfs/dbraw/zinc/29/67/23/708296723.db2.gz NNRBGICGCGKNGS-HUUCEWRRSA-N 2 1 336.505 1.560 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC001033594549 708296725 /nfs/dbraw/zinc/29/67/25/708296725.db2.gz NNRBGICGCGKNGS-HUUCEWRRSA-N 2 1 336.505 1.560 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC001033594549 708296727 /nfs/dbraw/zinc/29/67/27/708296727.db2.gz NNRBGICGCGKNGS-HUUCEWRRSA-N 2 1 336.505 1.560 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033585222 708312386 /nfs/dbraw/zinc/31/23/86/708312386.db2.gz GNBJZQBRTANFGX-OAHLLOKOSA-N 2 1 346.475 1.863 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033585222 708312388 /nfs/dbraw/zinc/31/23/88/708312388.db2.gz GNBJZQBRTANFGX-OAHLLOKOSA-N 2 1 346.475 1.863 20 0 EDADMP CCn1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001001825352 708327903 /nfs/dbraw/zinc/32/79/03/708327903.db2.gz LYSQZWFRQPPIKQ-QAPCUYQASA-N 2 1 347.507 1.429 20 0 EDADMP CCn1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001001825352 708327907 /nfs/dbraw/zinc/32/79/07/708327907.db2.gz LYSQZWFRQPPIKQ-QAPCUYQASA-N 2 1 347.507 1.429 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001831856 708357718 /nfs/dbraw/zinc/35/77/18/708357718.db2.gz AZHPKPYOOZMYFP-AEFFLSMTSA-N 2 1 344.503 1.916 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033663893 708444558 /nfs/dbraw/zinc/44/45/58/708444558.db2.gz AJVRUSIFNSYVFK-SFHVURJKSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033663893 708444561 /nfs/dbraw/zinc/44/45/61/708444561.db2.gz AJVRUSIFNSYVFK-SFHVURJKSA-N 2 1 326.444 1.967 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC001033672386 708464214 /nfs/dbraw/zinc/46/42/14/708464214.db2.gz PFPCAFVHJZZMFH-RTBURBONSA-N 2 1 345.487 1.483 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC001033672386 708464215 /nfs/dbraw/zinc/46/42/15/708464215.db2.gz PFPCAFVHJZZMFH-RTBURBONSA-N 2 1 345.487 1.483 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001033672386 708464216 /nfs/dbraw/zinc/46/42/16/708464216.db2.gz PFPCAFVHJZZMFH-RTBURBONSA-N 2 1 345.487 1.483 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001033672386 708464217 /nfs/dbraw/zinc/46/42/17/708464217.db2.gz PFPCAFVHJZZMFH-RTBURBONSA-N 2 1 345.487 1.483 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033673411 708466109 /nfs/dbraw/zinc/46/61/09/708466109.db2.gz ZEHOCZAUCYCANZ-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033673411 708466112 /nfs/dbraw/zinc/46/61/12/708466112.db2.gz ZEHOCZAUCYCANZ-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001033673411 708466114 /nfs/dbraw/zinc/46/61/14/708466114.db2.gz ZEHOCZAUCYCANZ-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001033673411 708466117 /nfs/dbraw/zinc/46/61/17/708466117.db2.gz ZEHOCZAUCYCANZ-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001033659254 708470757 /nfs/dbraw/zinc/47/07/57/708470757.db2.gz WOLAPFRQLAULIM-IBGZPJMESA-N 2 1 343.471 1.845 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033661466 708474153 /nfs/dbraw/zinc/47/41/53/708474153.db2.gz LMVLMFZDBNPLQV-QZTJIDSGSA-N 2 1 331.460 1.163 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033661466 708474157 /nfs/dbraw/zinc/47/41/57/708474157.db2.gz LMVLMFZDBNPLQV-QZTJIDSGSA-N 2 1 331.460 1.163 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033661466 708474161 /nfs/dbraw/zinc/47/41/61/708474161.db2.gz LMVLMFZDBNPLQV-QZTJIDSGSA-N 2 1 331.460 1.163 20 0 EDADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033684105 708496483 /nfs/dbraw/zinc/49/64/83/708496483.db2.gz CXKZPDLJWUCPOP-NVXWUHKLSA-N 2 1 346.475 1.158 20 0 EDADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033684105 708496486 /nfs/dbraw/zinc/49/64/86/708496486.db2.gz CXKZPDLJWUCPOP-NVXWUHKLSA-N 2 1 346.475 1.158 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033684417 708497269 /nfs/dbraw/zinc/49/72/69/708497269.db2.gz FFCSINIZHFKPQW-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033684417 708497270 /nfs/dbraw/zinc/49/72/70/708497270.db2.gz FFCSINIZHFKPQW-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033684417 708497271 /nfs/dbraw/zinc/49/72/71/708497271.db2.gz FFCSINIZHFKPQW-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033684417 708497272 /nfs/dbraw/zinc/49/72/72/708497272.db2.gz FFCSINIZHFKPQW-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033687174 708502046 /nfs/dbraw/zinc/50/20/46/708502046.db2.gz ZIMHWCCDOQFVHP-IRXDYDNUSA-N 2 1 333.480 1.290 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033687174 708502048 /nfs/dbraw/zinc/50/20/48/708502048.db2.gz ZIMHWCCDOQFVHP-IRXDYDNUSA-N 2 1 333.480 1.290 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033687174 708502050 /nfs/dbraw/zinc/50/20/50/708502050.db2.gz ZIMHWCCDOQFVHP-IRXDYDNUSA-N 2 1 333.480 1.290 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033687215 708502899 /nfs/dbraw/zinc/50/28/99/708502899.db2.gz ZSAYHGYWNKOSFD-NVXWUHKLSA-N 2 1 333.476 1.929 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CC[C@H]3CCCCO3)CC2)C1 ZINC001002120165 708633672 /nfs/dbraw/zinc/63/36/72/708633672.db2.gz HEQMUJQCKPMRPE-QZTJIDSGSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1nnc([C@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002122164 708635380 /nfs/dbraw/zinc/63/53/80/708635380.db2.gz AEZNFCUNIDHQOJ-SWLSCSKDSA-N 2 1 335.452 1.219 20 0 EDADMP Cc1nnc([C@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002122164 708635383 /nfs/dbraw/zinc/63/53/83/708635383.db2.gz AEZNFCUNIDHQOJ-SWLSCSKDSA-N 2 1 335.452 1.219 20 0 EDADMP CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001002139112 708676178 /nfs/dbraw/zinc/67/61/78/708676178.db2.gz RQZFXBJPVKDQQJ-RDJZCZTQSA-N 2 1 325.497 1.581 20 0 EDADMP CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002139112 708676180 /nfs/dbraw/zinc/67/61/80/708676180.db2.gz RQZFXBJPVKDQQJ-RDJZCZTQSA-N 2 1 325.497 1.581 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC001033778224 708706537 /nfs/dbraw/zinc/70/65/37/708706537.db2.gz YUJGMKMOXRJIJO-NVXWUHKLSA-N 2 1 334.464 1.808 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC001033778224 708706538 /nfs/dbraw/zinc/70/65/38/708706538.db2.gz YUJGMKMOXRJIJO-NVXWUHKLSA-N 2 1 334.464 1.808 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2c(C)noc2C)C1 ZINC001033778224 708706539 /nfs/dbraw/zinc/70/65/39/708706539.db2.gz YUJGMKMOXRJIJO-NVXWUHKLSA-N 2 1 334.464 1.808 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2c(C)noc2C)C1 ZINC001033778224 708706540 /nfs/dbraw/zinc/70/65/40/708706540.db2.gz YUJGMKMOXRJIJO-NVXWUHKLSA-N 2 1 334.464 1.808 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000921884309 708787371 /nfs/dbraw/zinc/78/73/71/708787371.db2.gz UCCHPTGBACCZGS-MSOLQXFVSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000921884309 708787372 /nfs/dbraw/zinc/78/73/72/708787372.db2.gz UCCHPTGBACCZGS-MSOLQXFVSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000921884309 708787374 /nfs/dbraw/zinc/78/73/74/708787374.db2.gz UCCHPTGBACCZGS-MSOLQXFVSA-N 2 1 346.475 1.147 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001002522123 709075800 /nfs/dbraw/zinc/07/58/00/709075800.db2.gz HDYCAGBZGLQYRG-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001002522123 709075802 /nfs/dbraw/zinc/07/58/02/709075802.db2.gz HDYCAGBZGLQYRG-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC001005478015 709103901 /nfs/dbraw/zinc/10/39/01/709103901.db2.gz SXRZOHAYICCMTG-HZPDHXFCSA-N 2 1 338.496 1.048 20 0 EDADMP CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001033953412 709134434 /nfs/dbraw/zinc/13/44/34/709134434.db2.gz MMUKLWXADVKVAI-QFBILLFUSA-N 2 1 347.503 1.708 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033939400 709144467 /nfs/dbraw/zinc/14/44/67/709144467.db2.gz AAPJAUGZWLTWFX-GOSISDBHSA-N 2 1 337.508 1.678 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001033942263 709149406 /nfs/dbraw/zinc/14/94/06/709149406.db2.gz YNJMZZDPYVCEGC-SFHVURJKSA-N 2 1 345.491 1.550 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001033942263 709149408 /nfs/dbraw/zinc/14/94/08/709149408.db2.gz YNJMZZDPYVCEGC-SFHVURJKSA-N 2 1 345.491 1.550 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC001034017381 709234803 /nfs/dbraw/zinc/23/48/03/709234803.db2.gz SBNLTOMYQALZAF-CVEARBPZSA-N 2 1 343.475 1.556 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+]([C@H](C)c2cnccn2)C1 ZINC001034017381 709234806 /nfs/dbraw/zinc/23/48/06/709234806.db2.gz SBNLTOMYQALZAF-CVEARBPZSA-N 2 1 343.475 1.556 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCCc2nc(C)no2)C1 ZINC001034042528 709292399 /nfs/dbraw/zinc/29/23/99/709292399.db2.gz PNXZLJWCVLDLEG-HZPDHXFCSA-N 2 1 349.479 1.185 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCCc2nc(C)no2)C1 ZINC001034042528 709292402 /nfs/dbraw/zinc/29/24/02/709292402.db2.gz PNXZLJWCVLDLEG-HZPDHXFCSA-N 2 1 349.479 1.185 20 0 EDADMP CC(C)(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001002874835 709480866 /nfs/dbraw/zinc/48/08/66/709480866.db2.gz JMZUCVUBOJTKHM-IRXDYDNUSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034204978 709527626 /nfs/dbraw/zinc/52/76/26/709527626.db2.gz RSJQPGNVSUDZCP-WMZOPIPTSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034204978 709527629 /nfs/dbraw/zinc/52/76/29/709527629.db2.gz RSJQPGNVSUDZCP-WMZOPIPTSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccnn2C)C1 ZINC001034204978 709527631 /nfs/dbraw/zinc/52/76/31/709527631.db2.gz RSJQPGNVSUDZCP-WMZOPIPTSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccnn2C)C1 ZINC001034204978 709527634 /nfs/dbraw/zinc/52/76/34/709527634.db2.gz RSJQPGNVSUDZCP-WMZOPIPTSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cncn2C)C1 ZINC001034205809 709529665 /nfs/dbraw/zinc/52/96/65/709529665.db2.gz YVEJOYYJBZGGEZ-WMZOPIPTSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cncn2C)C1 ZINC001034205809 709529666 /nfs/dbraw/zinc/52/96/66/709529666.db2.gz YVEJOYYJBZGGEZ-WMZOPIPTSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cncn2C)C1 ZINC001034205809 709529669 /nfs/dbraw/zinc/52/96/69/709529669.db2.gz YVEJOYYJBZGGEZ-WMZOPIPTSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cncn2C)C1 ZINC001034205809 709529673 /nfs/dbraw/zinc/52/96/73/709529673.db2.gz YVEJOYYJBZGGEZ-WMZOPIPTSA-N 2 1 347.507 1.764 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)C1CC1 ZINC000922062910 709534039 /nfs/dbraw/zinc/53/40/39/709534039.db2.gz BWLJBXQMTPAAKU-ROUUACIJSA-N 2 1 330.476 1.900 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)C1CC1 ZINC000922062910 709534042 /nfs/dbraw/zinc/53/40/42/709534042.db2.gz BWLJBXQMTPAAKU-ROUUACIJSA-N 2 1 330.476 1.900 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[NH+]1C)C1CC1 ZINC000922062909 709534073 /nfs/dbraw/zinc/53/40/73/709534073.db2.gz BWLJBXQMTPAAKU-QZTJIDSGSA-N 2 1 330.476 1.900 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)C1CC1 ZINC000922062909 709534076 /nfs/dbraw/zinc/53/40/76/709534076.db2.gz BWLJBXQMTPAAKU-QZTJIDSGSA-N 2 1 330.476 1.900 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C)C1CC1 ZINC000922062909 709534077 /nfs/dbraw/zinc/53/40/77/709534077.db2.gz BWLJBXQMTPAAKU-QZTJIDSGSA-N 2 1 330.476 1.900 20 0 EDADMP Cn1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001034208999 709558885 /nfs/dbraw/zinc/55/88/85/709558885.db2.gz WELXNPYIUQOPRY-QZTJIDSGSA-N 2 1 345.491 1.233 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC000702601990 709699172 /nfs/dbraw/zinc/69/91/72/709699172.db2.gz FCHRDBQFZHWVOT-XNJGSVPQSA-N 2 1 327.469 1.334 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC000702601990 709699175 /nfs/dbraw/zinc/69/91/75/709699175.db2.gz FCHRDBQFZHWVOT-XNJGSVPQSA-N 2 1 327.469 1.334 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001003011952 709783524 /nfs/dbraw/zinc/78/35/24/709783524.db2.gz UGBSCRPTLBDOBU-SJLPKXTDSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)(C(=O)N[C@H]1CCCC[N@@H+](C[C@H]2CCOC2)C1)[NH+]1CCCC1 ZINC001034339486 709801168 /nfs/dbraw/zinc/80/11/68/709801168.db2.gz GZPBATQIIFUXPJ-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003168750 710081384 /nfs/dbraw/zinc/08/13/84/710081384.db2.gz VJULIRGOAOZALY-QGZVFWFLSA-N 2 1 333.480 1.293 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCO)C1 ZINC001034482123 710106265 /nfs/dbraw/zinc/10/62/65/710106265.db2.gz ZTNPYSMTDZMBKF-ZWKOTPCHSA-N 2 1 339.524 1.994 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034482123 710106266 /nfs/dbraw/zinc/10/62/66/710106266.db2.gz ZTNPYSMTDZMBKF-ZWKOTPCHSA-N 2 1 339.524 1.994 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1 ZINC001034482123 710106268 /nfs/dbraw/zinc/10/62/68/710106268.db2.gz ZTNPYSMTDZMBKF-ZWKOTPCHSA-N 2 1 339.524 1.994 20 0 EDADMP Cc1ncccc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034526116 710177736 /nfs/dbraw/zinc/17/77/36/710177736.db2.gz ULLBEWBFHQANFW-QZTJIDSGSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ncccc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034526116 710177740 /nfs/dbraw/zinc/17/77/40/710177740.db2.gz ULLBEWBFHQANFW-QZTJIDSGSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ncccc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034526116 710177741 /nfs/dbraw/zinc/17/77/41/710177741.db2.gz ULLBEWBFHQANFW-QZTJIDSGSA-N 2 1 330.476 1.812 20 0 EDADMP CCc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC001034607073 710270402 /nfs/dbraw/zinc/27/04/02/710270402.db2.gz KELBNMXVFLZXRZ-ZQDZILKHSA-N 2 1 348.495 1.539 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1)c1csnn1 ZINC001034610489 710284577 /nfs/dbraw/zinc/28/45/77/710284577.db2.gz RETYLQVECBTUAY-ABHRYQDASA-N 2 1 337.493 1.710 20 0 EDADMP Cc1cncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC001034613819 710288969 /nfs/dbraw/zinc/28/89/69/710288969.db2.gz BYDVOASCGFKOLU-KZNAEPCWSA-N 2 1 346.475 1.238 20 0 EDADMP Cc1cncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC001034613819 710288970 /nfs/dbraw/zinc/28/89/70/710288970.db2.gz BYDVOASCGFKOLU-KZNAEPCWSA-N 2 1 346.475 1.238 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncn2C)CC1 ZINC001034643500 710319496 /nfs/dbraw/zinc/31/94/96/710319496.db2.gz XDUOQYCDMYTCEW-BZUAXINKSA-N 2 1 348.495 1.205 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001034647476 710324231 /nfs/dbraw/zinc/32/42/31/710324231.db2.gz IROGMZKOECBERG-CCECPURYSA-N 2 1 348.495 1.531 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034648034 710324650 /nfs/dbraw/zinc/32/46/50/710324650.db2.gz VKMUIUDKIZECGW-MWQQHZPXSA-N 2 1 334.464 1.840 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccn(C)n3)CC2)CC[N@H+]1C ZINC001034649010 710325509 /nfs/dbraw/zinc/32/55/09/710325509.db2.gz CBCPTKQBVVGZSM-UOVPBQLFSA-N 2 1 347.507 1.667 20 0 EDADMP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001034663049 710332583 /nfs/dbraw/zinc/33/25/83/710332583.db2.gz OZDKDEJZFLTIGF-KONPQCLYSA-N 2 1 337.508 1.791 20 0 EDADMP CC[C@H](C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)OC ZINC001003494971 710380298 /nfs/dbraw/zinc/38/02/98/710380298.db2.gz IAEMGGNTCJXEFF-SJORKVTESA-N 2 1 341.496 1.101 20 0 EDADMP CC[C@H](C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1)OC ZINC001003494971 710380300 /nfs/dbraw/zinc/38/03/00/710380300.db2.gz IAEMGGNTCJXEFF-SJORKVTESA-N 2 1 341.496 1.101 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)nn1 ZINC001003623495 710453005 /nfs/dbraw/zinc/45/30/05/710453005.db2.gz GHHCTYDPWYLUNN-CQSZACIVSA-N 2 1 347.463 1.050 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)nn1 ZINC001003623495 710453006 /nfs/dbraw/zinc/45/30/06/710453006.db2.gz GHHCTYDPWYLUNN-CQSZACIVSA-N 2 1 347.463 1.050 20 0 EDADMP COc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)ccn1 ZINC001003624331 710453699 /nfs/dbraw/zinc/45/36/99/710453699.db2.gz OKZVTHNSFLHRMH-HNNXBMFYSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC001003625639 710454665 /nfs/dbraw/zinc/45/46/65/710454665.db2.gz HXXHELPNHBJJRO-ZBFHGGJFSA-N 2 1 345.491 1.768 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC001003625639 710454667 /nfs/dbraw/zinc/45/46/67/710454667.db2.gz HXXHELPNHBJJRO-ZBFHGGJFSA-N 2 1 345.491 1.768 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001003636602 710456794 /nfs/dbraw/zinc/45/67/94/710456794.db2.gz WQGXTVABAIRPMA-IUODEOHRSA-N 2 1 329.435 1.810 20 0 EDADMP CCn1cc(CC[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)cn1 ZINC001003627618 710457829 /nfs/dbraw/zinc/45/78/29/710457829.db2.gz HKYWAYXSUYEOSJ-INIZCTEOSA-N 2 1 347.507 1.510 20 0 EDADMP Cc1ccncc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003632783 710461215 /nfs/dbraw/zinc/46/12/15/710461215.db2.gz CISPRJDEQYDCSB-QAPCUYQASA-N 2 1 330.476 1.668 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](Cc2cnnn2C)CC1)[NH+]1CCCCCC1 ZINC001003734918 710516991 /nfs/dbraw/zinc/51/69/91/710516991.db2.gz DKUKAQSEYMTHQN-HNNXBMFYSA-N 2 1 348.495 1.160 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001003776503 710545709 /nfs/dbraw/zinc/54/57/09/710545709.db2.gz UIVXPTHQIDCMNY-FUHWJXTLSA-N 2 1 345.491 1.518 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001003776503 710545711 /nfs/dbraw/zinc/54/57/11/710545711.db2.gz UIVXPTHQIDCMNY-FUHWJXTLSA-N 2 1 345.491 1.518 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ncccn3)CC2)C1 ZINC001034734275 710915547 /nfs/dbraw/zinc/91/55/47/710915547.db2.gz LYHWTKVRWGLBMN-JYJNAYRXSA-N 2 1 331.464 1.335 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)s1 ZINC001032946219 710927410 /nfs/dbraw/zinc/92/74/10/710927410.db2.gz UVWCJSMOBKOPJQ-LSDHHAIUSA-N 2 1 336.505 1.887 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)s1 ZINC001032946219 710927411 /nfs/dbraw/zinc/92/74/11/710927411.db2.gz UVWCJSMOBKOPJQ-LSDHHAIUSA-N 2 1 336.505 1.887 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)s1 ZINC001032946219 710927414 /nfs/dbraw/zinc/92/74/14/710927414.db2.gz UVWCJSMOBKOPJQ-LSDHHAIUSA-N 2 1 336.505 1.887 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1 ZINC001034739174 710933189 /nfs/dbraw/zinc/93/31/89/710933189.db2.gz YLSLWDGBFDPNGS-BHPKHCPMSA-N 2 1 337.493 1.253 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1 ZINC001034739174 710933194 /nfs/dbraw/zinc/93/31/94/710933194.db2.gz YLSLWDGBFDPNGS-BHPKHCPMSA-N 2 1 337.493 1.253 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC001032960378 710969533 /nfs/dbraw/zinc/96/95/33/710969533.db2.gz ROAOEVZGBQKVEH-WMZOPIPTSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC001032960378 710969537 /nfs/dbraw/zinc/96/95/37/710969537.db2.gz ROAOEVZGBQKVEH-WMZOPIPTSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC001032960378 710969539 /nfs/dbraw/zinc/96/95/39/710969539.db2.gz ROAOEVZGBQKVEH-WMZOPIPTSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001032966430 711022041 /nfs/dbraw/zinc/02/20/41/711022041.db2.gz DPZJEUSNFIWALW-RBUKOAKNSA-N 2 1 343.471 1.844 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001032966430 711022045 /nfs/dbraw/zinc/02/20/45/711022045.db2.gz DPZJEUSNFIWALW-RBUKOAKNSA-N 2 1 343.471 1.844 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001032966430 711022049 /nfs/dbraw/zinc/02/20/49/711022049.db2.gz DPZJEUSNFIWALW-RBUKOAKNSA-N 2 1 343.471 1.844 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCCO2)CC1 ZINC001034794236 711110333 /nfs/dbraw/zinc/11/03/33/711110333.db2.gz CPFHDQJFLFBBHF-ULQDDVLXSA-N 2 1 334.464 1.778 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001034792933 711121235 /nfs/dbraw/zinc/12/12/35/711121235.db2.gz PGDCPLCWINCOMN-JYJNAYRXSA-N 2 1 331.464 1.254 20 0 EDADMP Cc1cc(CN2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC001003973046 711128250 /nfs/dbraw/zinc/12/82/50/711128250.db2.gz DJLPVRWYFLNAIK-OAHLLOKOSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC001003973046 711128256 /nfs/dbraw/zinc/12/82/56/711128256.db2.gz DJLPVRWYFLNAIK-OAHLLOKOSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC001003973046 711128260 /nfs/dbraw/zinc/12/82/60/711128260.db2.gz DJLPVRWYFLNAIK-OAHLLOKOSA-N 2 1 331.464 1.207 20 0 EDADMP COc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001034880970 711279859 /nfs/dbraw/zinc/27/98/59/711279859.db2.gz AGSORZLOEBBJTC-HZPDHXFCSA-N 2 1 332.448 1.265 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nncs1 ZINC001034934935 711362379 /nfs/dbraw/zinc/36/23/79/711362379.db2.gz ZSZBWGKRHPIUML-ZIAGYGMSSA-N 2 1 337.493 1.492 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nncs1 ZINC001034934935 711362382 /nfs/dbraw/zinc/36/23/82/711362382.db2.gz ZSZBWGKRHPIUML-ZIAGYGMSSA-N 2 1 337.493 1.492 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001034958306 711431761 /nfs/dbraw/zinc/43/17/61/711431761.db2.gz HBINNDNXSHCVOM-NVXWUHKLSA-N 2 1 348.495 1.280 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)nc1 ZINC001034959879 711435792 /nfs/dbraw/zinc/43/57/92/711435792.db2.gz HLZXQMJVCIWANH-NVXWUHKLSA-N 2 1 331.464 1.206 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034939565 711442281 /nfs/dbraw/zinc/44/22/81/711442281.db2.gz GJNGKFVAGPUXNU-FVQBIDKESA-N 2 1 348.495 1.027 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034939565 711442282 /nfs/dbraw/zinc/44/22/82/711442282.db2.gz GJNGKFVAGPUXNU-FVQBIDKESA-N 2 1 348.495 1.027 20 0 EDADMP CCn1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001034940015 711442847 /nfs/dbraw/zinc/44/28/47/711442847.db2.gz SEGUKSBKBUHYBU-BZUAXINKSA-N 2 1 348.495 1.027 20 0 EDADMP CCn1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001034940015 711442849 /nfs/dbraw/zinc/44/28/49/711442849.db2.gz SEGUKSBKBUHYBU-BZUAXINKSA-N 2 1 348.495 1.027 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(C)ncn2)CC[N@H+]1C ZINC001034941539 711446757 /nfs/dbraw/zinc/44/67/57/711446757.db2.gz VCEFLCKQLPHTAC-FGTMMUONSA-N 2 1 345.491 1.596 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc3c(c1)nnn3C)C2 ZINC000922386583 711447865 /nfs/dbraw/zinc/44/78/65/711447865.db2.gz GLAKQZLACWVPJD-OQIJWPOYSA-N 2 1 343.475 1.538 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1c3c(nn1C)CCC3)C2 ZINC000922387300 711450288 /nfs/dbraw/zinc/45/02/88/711450288.db2.gz UBVCNNHRXGRRPN-YSHGAJCASA-N 2 1 332.492 1.478 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000922397545 711473163 /nfs/dbraw/zinc/47/31/63/711473163.db2.gz TUFLUTGFSPHFBN-MRXNPFEDSA-N 2 1 346.475 1.663 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001004140938 711539846 /nfs/dbraw/zinc/53/98/46/711539846.db2.gz AOHDSCOFPCETBL-AWEZNQCLSA-N 2 1 332.448 1.123 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001004140938 711539849 /nfs/dbraw/zinc/53/98/49/711539849.db2.gz AOHDSCOFPCETBL-AWEZNQCLSA-N 2 1 332.448 1.123 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004149493 711563474 /nfs/dbraw/zinc/56/34/74/711563474.db2.gz JGLMNYNEIFXQJE-INIZCTEOSA-N 2 1 347.507 1.805 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001004150384 711565581 /nfs/dbraw/zinc/56/55/81/711565581.db2.gz SAJVCOWFQJACFS-INIZCTEOSA-N 2 1 333.480 1.032 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001004186422 711624620 /nfs/dbraw/zinc/62/46/20/711624620.db2.gz UKNANQDIRHMFLO-IBGZPJMESA-N 2 1 345.487 1.796 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001004186422 711624621 /nfs/dbraw/zinc/62/46/21/711624621.db2.gz UKNANQDIRHMFLO-IBGZPJMESA-N 2 1 345.487 1.796 20 0 EDADMP CO[C@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004485323 711864596 /nfs/dbraw/zinc/86/45/96/711864596.db2.gz PVCATGKBUVIDMO-SJLPKXTDSA-N 2 1 348.491 1.929 20 0 EDADMP CO[C@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004485323 711864598 /nfs/dbraw/zinc/86/45/98/711864598.db2.gz PVCATGKBUVIDMO-SJLPKXTDSA-N 2 1 348.491 1.929 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2cc(C)no2)C1 ZINC001033126388 711889690 /nfs/dbraw/zinc/88/96/90/711889690.db2.gz MNLWTNPWILFLMJ-NVXWUHKLSA-N 2 1 334.464 1.890 20 0 EDADMP C[NH+]1CCC(C(=O)N2CCC([C@@H]3CCC[N@H+]3CCCO)CC2)CC1 ZINC001004521091 711920259 /nfs/dbraw/zinc/92/02/59/711920259.db2.gz GFMRCVLGCBCNDS-SFHVURJKSA-N 2 1 337.508 1.414 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([C@@H]3CCC[NH+]3CCCO)CC2)C1 ZINC001004597581 712040225 /nfs/dbraw/zinc/04/02/25/712040225.db2.gz SGROAUSAVIDMKP-WMZOPIPTSA-N 2 1 337.508 1.414 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CCCO)CC2)C1 ZINC001004597581 712040226 /nfs/dbraw/zinc/04/02/26/712040226.db2.gz SGROAUSAVIDMKP-WMZOPIPTSA-N 2 1 337.508 1.414 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2CCC([C@@H]3CCC[N@H+]3CCCO)CC2)C1 ZINC001004597581 712040228 /nfs/dbraw/zinc/04/02/28/712040228.db2.gz SGROAUSAVIDMKP-WMZOPIPTSA-N 2 1 337.508 1.414 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cnon3)C[C@H]2CC1)[NH+](C)C ZINC000946633260 712055327 /nfs/dbraw/zinc/05/53/27/712055327.db2.gz OVCOOPAXICKYRK-UXLLHSPISA-N 2 1 349.479 1.326 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1)[NH+](C)C ZINC000946643038 712129979 /nfs/dbraw/zinc/12/99/79/712129979.db2.gz ZDUGAVJCNXOOGG-ZJPYXAASSA-N 2 1 337.508 1.534 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)oc1C ZINC000557594517 306230251 /nfs/dbraw/zinc/23/02/51/306230251.db2.gz BRGWZUBRUWGERS-CQSZACIVSA-N 2 1 348.491 1.961 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)oc1C ZINC000557594517 306230252 /nfs/dbraw/zinc/23/02/52/306230252.db2.gz BRGWZUBRUWGERS-CQSZACIVSA-N 2 1 348.491 1.961 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(CO)o2)c1 ZINC000174341258 231182012 /nfs/dbraw/zinc/18/20/12/231182012.db2.gz NJFFFXZMGVVKLR-UHFFFAOYSA-N 2 1 331.416 1.353 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000174622371 231259549 /nfs/dbraw/zinc/25/95/49/231259549.db2.gz CMUUGOOTBRPHLF-NVXWUHKLSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000371589973 282250809 /nfs/dbraw/zinc/25/08/09/282250809.db2.gz KAKAEVVLGWLROW-KZNAEPCWSA-N 2 1 331.460 1.139 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000158710733 530064448 /nfs/dbraw/zinc/06/44/48/530064448.db2.gz ZAWURFRUAWIHJV-YOEHRIQHSA-N 2 1 327.428 1.699 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000158710733 530064449 /nfs/dbraw/zinc/06/44/49/530064449.db2.gz ZAWURFRUAWIHJV-YOEHRIQHSA-N 2 1 327.428 1.699 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000158710733 530064450 /nfs/dbraw/zinc/06/44/50/530064450.db2.gz ZAWURFRUAWIHJV-YOEHRIQHSA-N 2 1 327.428 1.699 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000158710733 530064451 /nfs/dbraw/zinc/06/44/51/530064451.db2.gz ZAWURFRUAWIHJV-YOEHRIQHSA-N 2 1 327.428 1.699 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000178676011 232366001 /nfs/dbraw/zinc/36/60/01/232366001.db2.gz ZDIHFCZJDOKJMS-HNNXBMFYSA-N 2 1 342.447 1.082 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000561193826 306284214 /nfs/dbraw/zinc/28/42/14/306284214.db2.gz KOCMEAYSXLRHRX-NXHRZFHOSA-N 2 1 346.475 1.185 20 0 EDADMP COCC(COC)[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000412435018 304008167 /nfs/dbraw/zinc/00/81/67/304008167.db2.gz KIJJKTDELZZKHU-MRXNPFEDSA-N 2 1 341.496 1.057 20 0 EDADMP COCC(COC)[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000412435018 304008169 /nfs/dbraw/zinc/00/81/69/304008169.db2.gz KIJJKTDELZZKHU-MRXNPFEDSA-N 2 1 341.496 1.057 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(C)(C)C[NH+](C)C ZINC000364086243 299160197 /nfs/dbraw/zinc/16/01/97/299160197.db2.gz JHKHGHCFUNLWQD-SOUVJXGZSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H]1C[N@@H+](CCC(=O)Nc2cccnc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000562319152 306295127 /nfs/dbraw/zinc/29/51/27/306295127.db2.gz GPQFSTVZYZHFRU-FUHWJXTLSA-N 2 1 345.491 1.368 20 0 EDADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1C[N@H+](C)CCO1 ZINC000152395010 539809819 /nfs/dbraw/zinc/80/98/19/539809819.db2.gz WKQADAFSJZLRKO-GOEBONIOSA-N 2 1 338.452 1.072 20 0 EDADMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1C[N@@H+](C)CCO1 ZINC000152395010 539809824 /nfs/dbraw/zinc/80/98/24/539809824.db2.gz WKQADAFSJZLRKO-GOEBONIOSA-N 2 1 338.452 1.072 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2F)[N@H+](C)C1 ZINC000345750632 539838860 /nfs/dbraw/zinc/83/88/60/539838860.db2.gz AWJZBPXJWDBYMM-RDJZCZTQSA-N 2 1 337.439 1.435 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2F)[N@@H+](C)C1 ZINC000345750632 539838862 /nfs/dbraw/zinc/83/88/62/539838862.db2.gz AWJZBPXJWDBYMM-RDJZCZTQSA-N 2 1 337.439 1.435 20 0 EDADMP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1CC[NH2+]1 ZINC000563089820 306318589 /nfs/dbraw/zinc/31/85/89/306318589.db2.gz AEHHDNNRIKPCQD-IAGOWNOFSA-N 2 1 339.443 1.939 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000563198263 306322761 /nfs/dbraw/zinc/32/27/61/306322761.db2.gz MSNNBZCKEZTELC-AWEZNQCLSA-N 2 1 344.459 1.543 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000412853590 304042083 /nfs/dbraw/zinc/04/20/83/304042083.db2.gz YWEAWHRSSYHQIR-SFHVURJKSA-N 2 1 330.476 1.258 20 0 EDADMP CCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccs2)CC1 ZINC000183366750 540138154 /nfs/dbraw/zinc/13/81/54/540138154.db2.gz VMOZZVKTBDCFKV-UHFFFAOYSA-N 2 1 331.507 1.490 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000423785308 283098934 /nfs/dbraw/zinc/09/89/34/283098934.db2.gz RMHFMPNVWQLDKG-RTBURBONSA-N 2 1 327.472 1.931 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000055377164 138146938 /nfs/dbraw/zinc/14/69/38/138146938.db2.gz FPRGZBQTVXTBOY-INIZCTEOSA-N 2 1 347.507 1.623 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000055377164 138146940 /nfs/dbraw/zinc/14/69/40/138146940.db2.gz FPRGZBQTVXTBOY-INIZCTEOSA-N 2 1 347.507 1.623 20 0 EDADMP COC[C@@]1(CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000563946228 306352916 /nfs/dbraw/zinc/35/29/16/306352916.db2.gz POLYNRJERYNAOL-IBGZPJMESA-N 2 1 346.475 1.282 20 0 EDADMP CS(=O)(=O)c1cccc(OCC[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000565096123 306375393 /nfs/dbraw/zinc/37/53/93/306375393.db2.gz HRHPEXLQVCAPQL-UHFFFAOYSA-N 2 1 326.462 1.530 20 0 EDADMP C[C@@H]([NH3+])CCNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417578873 296018368 /nfs/dbraw/zinc/01/83/68/296018368.db2.gz AYYQNHSFAFJGOK-OAHLLOKOSA-N 2 1 340.512 1.837 20 0 EDADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000185484534 138805544 /nfs/dbraw/zinc/80/55/44/138805544.db2.gz ISCPQXNVRMOFQN-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000414183854 304104846 /nfs/dbraw/zinc/10/48/46/304104846.db2.gz NYROXSPREKDZSR-ZIAGYGMSSA-N 2 1 325.478 1.717 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)C1=CC[N@@H+](C)CC1 ZINC000566132720 306399434 /nfs/dbraw/zinc/39/94/34/306399434.db2.gz ZSIFWYVZMRYDPX-DZGCQCFKSA-N 2 1 334.416 1.395 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC000414557191 304122101 /nfs/dbraw/zinc/12/21/01/304122101.db2.gz LJXJBKICLNUJKS-AZUAARDMSA-N 2 1 347.503 1.394 20 0 EDADMP COC(=O)[C@@H]1CSCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000414562368 304122716 /nfs/dbraw/zinc/12/27/16/304122716.db2.gz AVQHNSBAOFLHBU-HNNXBMFYSA-N 2 1 346.456 1.914 20 0 EDADMP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+]1CCCC[C@@H]1C ZINC000414697351 304128775 /nfs/dbraw/zinc/12/87/75/304128775.db2.gz HAQVVNCYPIZWSS-KBPBESRZSA-N 2 1 344.459 1.607 20 0 EDADMP CCOc1ccnc(N2CCC[N@@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000414709059 304130928 /nfs/dbraw/zinc/13/09/28/304130928.db2.gz OMNPJISPWFRHDA-JKSUJKDBSA-N 2 1 333.480 1.776 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000414714981 304131859 /nfs/dbraw/zinc/13/18/59/304131859.db2.gz WWGVHONJAUVSJV-GJZGRUSLSA-N 2 1 346.475 1.581 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414738987 304135316 /nfs/dbraw/zinc/13/53/16/304135316.db2.gz IODXXPPCEBVVJB-KBPBESRZSA-N 2 1 332.448 1.320 20 0 EDADMP O=C(NCc1c[nH+]c2n1CCCC2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000377279222 284012204 /nfs/dbraw/zinc/01/22/04/284012204.db2.gz GDDYDJSJEADKAZ-HNNXBMFYSA-N 2 1 331.464 1.989 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000414996020 304149392 /nfs/dbraw/zinc/14/93/92/304149392.db2.gz WTXBEPDFUMSBCV-MRXNPFEDSA-N 2 1 346.475 1.677 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccc1F ZINC000415144146 304164159 /nfs/dbraw/zinc/16/41/59/304164159.db2.gz UPIKAKGPDISEDK-MSOLQXFVSA-N 2 1 346.450 1.854 20 0 EDADMP COc1ccccc1C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415143574 304164429 /nfs/dbraw/zinc/16/44/29/304164429.db2.gz SWJHXKJZJCFXIW-DLBZAZTESA-N 2 1 344.459 1.415 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](O)C1 ZINC000227070278 139022298 /nfs/dbraw/zinc/02/22/98/139022298.db2.gz MCYCOWMTKXNQQT-VQIMIIECSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)C[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000236677272 139028444 /nfs/dbraw/zinc/02/84/44/139028444.db2.gz DEBNDCLALHLGQI-FBVQUNGASA-N 2 1 337.508 1.770 20 0 EDADMP C[NH2+]CCCC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000237163744 139042766 /nfs/dbraw/zinc/04/27/66/139042766.db2.gz OYYHJODKHFJTMF-UHFFFAOYSA-N 2 1 338.883 1.578 20 0 EDADMP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000080157027 217284607 /nfs/dbraw/zinc/28/46/07/217284607.db2.gz NPPYHRKMEXMMOD-UHFFFAOYSA-N 2 1 345.447 1.159 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000567508731 306453963 /nfs/dbraw/zinc/45/39/63/306453963.db2.gz PZHQYQLTPKIDDC-CJNGLKHVSA-N 2 1 348.472 1.865 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000237604125 139055378 /nfs/dbraw/zinc/05/53/78/139055378.db2.gz GIEQSCLPEKMWRW-FCEWJHQRSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[NH+](CCCCNC(=O)c2csc(C[NH3+])n2)C[C@H](C)O1 ZINC000237666909 139057454 /nfs/dbraw/zinc/05/74/54/139057454.db2.gz KPOQNTZJCCVPIN-RYUDHWBXSA-N 2 1 326.466 1.221 20 0 EDADMP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000237889509 139062819 /nfs/dbraw/zinc/06/28/19/139062819.db2.gz CDMQPYJTKCRZMX-SFHVURJKSA-N 2 1 331.460 1.490 20 0 EDADMP [NH3+]Cc1nc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cs1 ZINC000238037153 139067228 /nfs/dbraw/zinc/06/72/28/139067228.db2.gz CDPIBWWKWIWCFS-CQSZACIVSA-N 2 1 330.457 1.996 20 0 EDADMP [NH3+]Cc1nc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cs1 ZINC000238037153 139067229 /nfs/dbraw/zinc/06/72/29/139067229.db2.gz CDPIBWWKWIWCFS-CQSZACIVSA-N 2 1 330.457 1.996 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1COCC[NH2+]1 ZINC000238074543 139068282 /nfs/dbraw/zinc/06/82/82/139068282.db2.gz VOBJNWLWQXNZKC-GOSISDBHSA-N 2 1 331.460 1.667 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000111866207 220213628 /nfs/dbraw/zinc/21/36/28/220213628.db2.gz PYKSDXKOVNOHIL-INIZCTEOSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)C1 ZINC000245420788 139073720 /nfs/dbraw/zinc/07/37/20/139073720.db2.gz CICZZGOTAZVUFE-CABCVRRESA-N 2 1 341.402 1.404 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)C1 ZINC000245420788 139073721 /nfs/dbraw/zinc/07/37/21/139073721.db2.gz CICZZGOTAZVUFE-CABCVRRESA-N 2 1 341.402 1.404 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000245453530 139075540 /nfs/dbraw/zinc/07/55/40/139075540.db2.gz FURUMBDRDBGFON-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000245453530 139075541 /nfs/dbraw/zinc/07/55/41/139075541.db2.gz FURUMBDRDBGFON-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245453530 139075542 /nfs/dbraw/zinc/07/55/42/139075542.db2.gz FURUMBDRDBGFON-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000245453530 139075543 /nfs/dbraw/zinc/07/55/43/139075543.db2.gz FURUMBDRDBGFON-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000245811116 139086812 /nfs/dbraw/zinc/08/68/12/139086812.db2.gz GRRNXCJIYLLYSV-NXOAAHMSSA-N 2 1 325.497 1.578 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000245811116 139086813 /nfs/dbraw/zinc/08/68/13/139086813.db2.gz GRRNXCJIYLLYSV-NXOAAHMSSA-N 2 1 325.497 1.578 20 0 EDADMP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246137751 139096325 /nfs/dbraw/zinc/09/63/25/139096325.db2.gz KFENWBYZPQYLKN-OLZOCXBDSA-N 2 1 345.447 1.457 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000248666687 139170845 /nfs/dbraw/zinc/17/08/45/139170845.db2.gz WUJNTKJQODMSGQ-BRWVUGGUSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000248666687 139170846 /nfs/dbraw/zinc/17/08/46/139170846.db2.gz WUJNTKJQODMSGQ-BRWVUGGUSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000248666687 139170847 /nfs/dbraw/zinc/17/08/47/139170847.db2.gz WUJNTKJQODMSGQ-BRWVUGGUSA-N 2 1 340.512 1.061 20 0 EDADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000252464411 139204684 /nfs/dbraw/zinc/20/46/84/139204684.db2.gz JVJMLGNWFDUEDC-RTBURBONSA-N 2 1 343.471 1.584 20 0 EDADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000252464411 139204685 /nfs/dbraw/zinc/20/46/85/139204685.db2.gz JVJMLGNWFDUEDC-RTBURBONSA-N 2 1 343.471 1.584 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(N)c3)CC2)CC1 ZINC000261620612 139211859 /nfs/dbraw/zinc/21/18/59/139211859.db2.gz CAGHPFBJUYCEKC-UHFFFAOYSA-N 2 1 330.476 1.645 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)C[C@H]1c1ccccc1 ZINC000261691819 139217905 /nfs/dbraw/zinc/21/79/05/139217905.db2.gz JDBGBHSQFUTCOI-NEWSRXKRSA-N 2 1 343.471 1.441 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)C[C@H]1c1ccccc1 ZINC000261691819 139217906 /nfs/dbraw/zinc/21/79/06/139217906.db2.gz JDBGBHSQFUTCOI-NEWSRXKRSA-N 2 1 343.471 1.441 20 0 EDADMP CCn1nc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c2ccccc21 ZINC000261779428 139225415 /nfs/dbraw/zinc/22/54/15/139225415.db2.gz XTXVNRHNRPHRPO-CQSZACIVSA-N 2 1 329.448 1.343 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000261786611 139225851 /nfs/dbraw/zinc/22/58/51/139225851.db2.gz YJXCZHKDSSNJGE-AWEZNQCLSA-N 2 1 329.404 1.024 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000261786611 139225852 /nfs/dbraw/zinc/22/58/52/139225852.db2.gz YJXCZHKDSSNJGE-AWEZNQCLSA-N 2 1 329.404 1.024 20 0 EDADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261788512 139226172 /nfs/dbraw/zinc/22/61/72/139226172.db2.gz YONQUYCFTKHICH-WMZOPIPTSA-N 2 1 330.476 1.186 20 0 EDADMP COc1cccc(C(=O)NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261864393 139232391 /nfs/dbraw/zinc/23/23/91/139232391.db2.gz CNQGZSPJJJMIRT-KZNAEPCWSA-N 2 1 347.459 1.172 20 0 EDADMP Clc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)nc1 ZINC000261845174 139230987 /nfs/dbraw/zinc/23/09/87/139230987.db2.gz AQWLCELGXFQZOZ-ZNMIVQPWSA-N 2 1 325.840 1.861 20 0 EDADMP c1cc2c(cc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)OCCO2 ZINC000261943159 139238923 /nfs/dbraw/zinc/23/89/23/139238923.db2.gz NCFNFAOOSKRCCV-BRWVUGGUSA-N 2 1 332.444 1.747 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000261959566 139240048 /nfs/dbraw/zinc/24/00/48/139240048.db2.gz OMMVKHMISUEZBI-CYBMUJFWSA-N 2 1 325.840 1.506 20 0 EDADMP CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261967122 139240477 /nfs/dbraw/zinc/24/04/77/139240477.db2.gz HWCFIPGDFGNYFZ-PBHICJAKSA-N 2 1 337.468 1.284 20 0 EDADMP CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261967122 139240478 /nfs/dbraw/zinc/24/04/78/139240478.db2.gz HWCFIPGDFGNYFZ-PBHICJAKSA-N 2 1 337.468 1.284 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261993028 139242393 /nfs/dbraw/zinc/24/23/93/139242393.db2.gz MYBFQHQFWGFLMX-GOSISDBHSA-N 2 1 331.460 1.393 20 0 EDADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262066538 139248072 /nfs/dbraw/zinc/24/80/72/139248072.db2.gz BEUVYLKONPEOIS-IBGZPJMESA-N 2 1 325.460 1.660 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354713199 296310674 /nfs/dbraw/zinc/31/06/74/296310674.db2.gz QKHBYHTZBYNPPV-HZPDHXFCSA-N 2 1 338.496 1.016 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1 ZINC000415942043 251036862 /nfs/dbraw/zinc/03/68/62/251036862.db2.gz IFBMTYXYXBUJSE-CQSZACIVSA-N 2 1 348.447 1.507 20 0 EDADMP Cn1cc[nH+]c1CC1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416011728 251046126 /nfs/dbraw/zinc/04/61/26/251046126.db2.gz RVQJUJQYUNLMRE-GFCCVEGCSA-N 2 1 347.385 1.664 20 0 EDADMP C[C@H]1OCCN[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262266165 139264975 /nfs/dbraw/zinc/26/49/75/139264975.db2.gz MPEJKPNCIHSLTP-ISARSNTHSA-N 2 1 345.487 1.875 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262266165 139264977 /nfs/dbraw/zinc/26/49/77/139264977.db2.gz MPEJKPNCIHSLTP-ISARSNTHSA-N 2 1 345.487 1.875 20 0 EDADMP CC[C@@H](CNC(=O)N1CC[NH2+][C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000417007179 251128898 /nfs/dbraw/zinc/12/88/98/251128898.db2.gz GVBOKAGKOXUKDK-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP CN1CCN(Cc2cccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000262317011 139269467 /nfs/dbraw/zinc/26/94/67/139269467.db2.gz UTZWDHJWRAZTFH-DLBZAZTESA-N 2 1 330.476 1.890 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)C[C@H]12 ZINC000417021061 251136330 /nfs/dbraw/zinc/13/63/30/251136330.db2.gz JTODVOZJMJCJRO-CEXWTWQISA-N 2 1 342.487 1.814 20 0 EDADMP CC[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000417005913 251126314 /nfs/dbraw/zinc/12/63/14/251126314.db2.gz FBFRYRFATFLEEE-OTWHNJEPSA-N 2 1 342.487 1.684 20 0 EDADMP [NH3+]CC1CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000417174516 251145033 /nfs/dbraw/zinc/14/50/33/251145033.db2.gz JXEIJOIILMGOCI-UHFFFAOYSA-N 2 1 346.475 1.399 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000417498691 251181221 /nfs/dbraw/zinc/18/12/21/251181221.db2.gz DITAAXZWQLGSBG-MSOLQXFVSA-N 2 1 348.491 1.829 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417580780 251196244 /nfs/dbraw/zinc/19/62/44/251196244.db2.gz GBLGBMSSEVKPCO-HNNXBMFYSA-N 2 1 340.512 1.837 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)C1 ZINC000417667652 251220540 /nfs/dbraw/zinc/22/05/40/251220540.db2.gz HBUXNCOIKUUDSV-VQHPVUNQSA-N 2 1 338.496 1.127 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)[C@@H](C)C1 ZINC000417664137 251218528 /nfs/dbraw/zinc/21/85/28/251218528.db2.gz ATHNDMYXFFWAPF-LTIDMASMSA-N 2 1 340.512 1.421 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CC[NH2+][C@@H](C)[C@@H]3C)CC2)[nH+]1 ZINC000417690156 251229119 /nfs/dbraw/zinc/22/91/19/251229119.db2.gz HKCGRBZCIHMFJW-GJZGRUSLSA-N 2 1 331.464 1.751 20 0 EDADMP C[C@@H](CNC(=O)N(CCC[NH3+])CC1CCCC1)C[NH+]1CCOCC1 ZINC000417709013 251237464 /nfs/dbraw/zinc/23/74/64/251237464.db2.gz CDEIFVJSAKILMY-INIZCTEOSA-N 2 1 340.512 1.505 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000417666963 251221647 /nfs/dbraw/zinc/22/16/47/251221647.db2.gz FGUXHURVKJXVSV-ZACQAIPSSA-N 2 1 340.512 1.422 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[C@@H](C)C1 ZINC000417668239 251221670 /nfs/dbraw/zinc/22/16/70/251221670.db2.gz IYEMXLFTJZOKKJ-HZMVEIRTSA-N 2 1 340.512 1.550 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH2+]C)C2)[C@H](C)C1 ZINC000417672329 251222977 /nfs/dbraw/zinc/22/29/77/251222977.db2.gz SNVTZDJLMTWSOO-OAGGEKHMSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000262419684 139278003 /nfs/dbraw/zinc/27/80/03/139278003.db2.gz ZZOJIFRKVDOSQU-YCPHGPKFSA-N 2 1 337.489 1.453 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000262419684 139278004 /nfs/dbraw/zinc/27/80/04/139278004.db2.gz ZZOJIFRKVDOSQU-YCPHGPKFSA-N 2 1 337.489 1.453 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000417720045 251240659 /nfs/dbraw/zinc/24/06/59/251240659.db2.gz XFJHTHLLFLOFHQ-KRWDZBQOSA-N 2 1 328.476 1.986 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000417736561 251249210 /nfs/dbraw/zinc/24/92/10/251249210.db2.gz UXWMWSPOKIRMPV-DLBZAZTESA-N 2 1 345.491 1.187 20 0 EDADMP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417786989 251269744 /nfs/dbraw/zinc/26/97/44/251269744.db2.gz FKAWCHUPRVQQSN-OKZBNKHCSA-N 2 1 334.508 1.938 20 0 EDADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000418321802 251359854 /nfs/dbraw/zinc/35/98/54/251359854.db2.gz CSDWNCAOZLAZRD-AEFFLSMTSA-N 2 1 334.464 1.176 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC2)cn1 ZINC000418716846 251394745 /nfs/dbraw/zinc/39/47/45/251394745.db2.gz ZVRCKPIRFFUTEZ-LSDHHAIUSA-N 2 1 336.484 1.246 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC2)cn1 ZINC000418716846 251394748 /nfs/dbraw/zinc/39/47/48/251394748.db2.gz ZVRCKPIRFFUTEZ-LSDHHAIUSA-N 2 1 336.484 1.246 20 0 EDADMP C[C@@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262665407 139294659 /nfs/dbraw/zinc/29/46/59/139294659.db2.gz JJMQLYBJJWAQBK-HPFXQQBRSA-N 2 1 333.476 1.938 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000262794562 139304087 /nfs/dbraw/zinc/30/40/87/139304087.db2.gz NHHFDBCODKAWLH-OAHLLOKOSA-N 2 1 334.464 1.379 20 0 EDADMP CC(C)(CC[NH3+])NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000422594375 251946670 /nfs/dbraw/zinc/94/66/70/251946670.db2.gz RJEUSJOSDBXBHD-UHFFFAOYSA-N 2 1 334.464 1.445 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422876939 252007917 /nfs/dbraw/zinc/00/79/17/252007917.db2.gz GUMHRBWJZGUKEO-TVFCKZIOSA-N 2 1 336.524 1.439 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422876939 252007919 /nfs/dbraw/zinc/00/79/19/252007919.db2.gz GUMHRBWJZGUKEO-TVFCKZIOSA-N 2 1 336.524 1.439 20 0 EDADMP C[C@H](NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422879425 252010472 /nfs/dbraw/zinc/01/04/72/252010472.db2.gz KKKMOKZYCUYYMT-YJBOKZPZSA-N 2 1 330.476 1.304 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000423995833 252109994 /nfs/dbraw/zinc/10/99/94/252109994.db2.gz JUSLJALSGATQLZ-DJIMGWMZSA-N 2 1 325.497 1.567 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000424436341 252230198 /nfs/dbraw/zinc/23/01/98/252230198.db2.gz JUPRLGZOGYDYNP-SFHVURJKSA-N 2 1 347.507 1.847 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000424443998 252232863 /nfs/dbraw/zinc/23/28/63/252232863.db2.gz YRUAQRNFGULCRP-CVEARBPZSA-N 2 1 330.432 1.135 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000424441477 252233450 /nfs/dbraw/zinc/23/34/50/252233450.db2.gz SXYVKBADQUXOFE-AWEZNQCLSA-N 2 1 332.448 1.383 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000263243607 139330458 /nfs/dbraw/zinc/33/04/58/139330458.db2.gz GZCRAZNQVGFLCI-SFHVURJKSA-N 2 1 332.448 1.530 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccnn1C(C)C)C2 ZINC000112539957 220344520 /nfs/dbraw/zinc/34/45/20/220344520.db2.gz OEXJTISBKYGEBS-ZIAGYGMSSA-N 2 1 330.436 1.901 20 0 EDADMP COC[C@@H](C)NC(=[NH2+])NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000364057630 285205984 /nfs/dbraw/zinc/20/59/84/285205984.db2.gz NXZRAQGEQUPLMW-OAHLLOKOSA-N 2 1 340.512 1.949 20 0 EDADMP COC[C@@H](C)NC(=[NH2+])NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000364057630 285205990 /nfs/dbraw/zinc/20/59/90/285205990.db2.gz NXZRAQGEQUPLMW-OAHLLOKOSA-N 2 1 340.512 1.949 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)C(C)(C)C ZINC000458409969 254918946 /nfs/dbraw/zinc/91/89/46/254918946.db2.gz MSQZULGUQAXDCB-CVEARBPZSA-N 2 1 342.528 1.499 20 0 EDADMP CC[C@@H](C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+](CC)CC ZINC000488880045 255058276 /nfs/dbraw/zinc/05/82/76/255058276.db2.gz LFSXPMLMXVLYTN-RDJZCZTQSA-N 2 1 325.497 1.819 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(C(C)C)nn1 ZINC000339655965 285250234 /nfs/dbraw/zinc/25/02/34/285250234.db2.gz YJTWGFXUWYLWJQ-OAHLLOKOSA-N 2 1 336.484 1.347 20 0 EDADMP CC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)CC(C)(C)O ZINC000494563263 255253933 /nfs/dbraw/zinc/25/39/33/255253933.db2.gz TVFUWMCQOMCIRE-KRWDZBQOSA-N 2 1 347.503 1.985 20 0 EDADMP CC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)CC(C)(C)O ZINC000494563263 255253934 /nfs/dbraw/zinc/25/39/34/255253934.db2.gz TVFUWMCQOMCIRE-KRWDZBQOSA-N 2 1 347.503 1.985 20 0 EDADMP CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000331186045 285264512 /nfs/dbraw/zinc/26/45/12/285264512.db2.gz JGVLPJPBMMXPGY-MRXNPFEDSA-N 2 1 339.505 1.758 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)c2ccnc(OCC[NH+](C)C)c2)CC[N@H+]1C ZINC000155200472 224376214 /nfs/dbraw/zinc/37/62/14/224376214.db2.gz OMKOLQBQHOFBRU-GOEBONIOSA-N 2 1 334.464 1.577 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+]1CCc2ccccc2C1)[NH+](C)C1CC1 ZINC000264278132 139392909 /nfs/dbraw/zinc/39/29/09/139392909.db2.gz QWFGVEDFLBQFHO-HNNXBMFYSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCc2ccccc2C1)[N@H+](C)C1CC1 ZINC000264278132 139392910 /nfs/dbraw/zinc/39/29/10/139392910.db2.gz QWFGVEDFLBQFHO-HNNXBMFYSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000264278132 139392911 /nfs/dbraw/zinc/39/29/11/139392911.db2.gz QWFGVEDFLBQFHO-HNNXBMFYSA-N 2 1 330.476 1.827 20 0 EDADMP C[N@H+](CCO)C1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000264292519 139394260 /nfs/dbraw/zinc/39/42/60/139394260.db2.gz OTKYZAQUTVTUMX-UHFFFAOYSA-N 2 1 336.432 1.573 20 0 EDADMP C[N@@H+](CCO)C1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000264292519 139394261 /nfs/dbraw/zinc/39/42/61/139394261.db2.gz OTKYZAQUTVTUMX-UHFFFAOYSA-N 2 1 336.432 1.573 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000264300829 139395108 /nfs/dbraw/zinc/39/51/08/139395108.db2.gz WZKZIBFEKZJUAP-UHFFFAOYSA-N 2 1 337.468 1.412 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)COc2ccccc2)CC1 ZINC000264309097 139395896 /nfs/dbraw/zinc/39/58/96/139395896.db2.gz ZLUUCFBWDZDXNO-FUHWJXTLSA-N 2 1 336.476 1.451 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1 ZINC000415925935 304285908 /nfs/dbraw/zinc/28/59/08/304285908.db2.gz BTBBIPPDEQNUQW-UHFFFAOYSA-N 2 1 335.496 1.753 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N(C)CCCN(C)CC[NH+](C)C)c1 ZINC000415925935 304285910 /nfs/dbraw/zinc/28/59/10/304285910.db2.gz BTBBIPPDEQNUQW-UHFFFAOYSA-N 2 1 335.496 1.753 20 0 EDADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1Cc2ccccc2C1 ZINC000271121687 140240657 /nfs/dbraw/zinc/24/06/57/140240657.db2.gz FCAWJKKOYLFVNZ-UHFFFAOYSA-N 2 1 337.471 1.828 20 0 EDADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1Cc2ccccc2C1 ZINC000271121687 140240658 /nfs/dbraw/zinc/24/06/58/140240658.db2.gz FCAWJKKOYLFVNZ-UHFFFAOYSA-N 2 1 337.471 1.828 20 0 EDADMP CN(C(=O)CCCC[NH+]1CCOCC1)C(C)(C)C[NH+]1CCCC1 ZINC000416333250 304310093 /nfs/dbraw/zinc/31/00/93/304310093.db2.gz KOTIPBCSNWUNKU-UHFFFAOYSA-N 2 1 325.497 1.822 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000332387576 141173393 /nfs/dbraw/zinc/17/33/93/141173393.db2.gz QJOLYJHVPRAJHU-HNNXBMFYSA-N 2 1 346.479 1.929 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[N@H+]1C1CC1 ZINC000333137063 141270362 /nfs/dbraw/zinc/27/03/62/141270362.db2.gz CNHWULHPDLEUKC-ORBLRFAASA-N 2 1 349.523 1.127 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NC2CCC([NH+]3CCNCC3)CC2)C[N@@H+]1C1CC1 ZINC000333137063 141270363 /nfs/dbraw/zinc/27/03/63/141270363.db2.gz CNHWULHPDLEUKC-ORBLRFAASA-N 2 1 349.523 1.127 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NC2CCC([NH+]3CCNCC3)CC2)C[N@H+]1C1CC1 ZINC000333137063 141270364 /nfs/dbraw/zinc/27/03/64/141270364.db2.gz CNHWULHPDLEUKC-ORBLRFAASA-N 2 1 349.523 1.127 20 0 EDADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)CC[NH2+]1 ZINC000333140657 141270644 /nfs/dbraw/zinc/27/06/44/141270644.db2.gz KVXWHUZKVCHGTL-KFWWJZLASA-N 2 1 329.452 1.023 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C[C@@H](C)O1 ZINC000333149610 141272250 /nfs/dbraw/zinc/27/22/50/141272250.db2.gz FCJLZRMJMGOFGO-GBJTYRQASA-N 2 1 326.485 1.171 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@@H](C)O1 ZINC000333385689 141309745 /nfs/dbraw/zinc/30/97/45/141309745.db2.gz OAQHWTJJLOHKIZ-RKVPGOIHSA-N 2 1 340.512 1.563 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000333553163 141335833 /nfs/dbraw/zinc/33/58/33/141335833.db2.gz MWBHFKLGGUZQMU-RDJZCZTQSA-N 2 1 331.464 1.850 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000333553163 141335835 /nfs/dbraw/zinc/33/58/35/141335835.db2.gz MWBHFKLGGUZQMU-RDJZCZTQSA-N 2 1 331.464 1.850 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCCO1 ZINC000333639125 141348968 /nfs/dbraw/zinc/34/89/68/141348968.db2.gz UFZYVNNABMHGLU-IRXDYDNUSA-N 2 1 338.496 1.543 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000339410352 142040820 /nfs/dbraw/zinc/04/08/20/142040820.db2.gz QYOMZJDRRPINPJ-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C)C(C)C ZINC000339610819 142092913 /nfs/dbraw/zinc/09/29/13/142092913.db2.gz HMXJDIXEAUSIHD-CVEARBPZSA-N 2 1 340.512 1.066 20 0 EDADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000370122606 304319424 /nfs/dbraw/zinc/31/94/24/304319424.db2.gz OGRFJUFVTBYGLU-MJGOQNOKSA-N 2 1 349.519 1.964 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000339851170 142177370 /nfs/dbraw/zinc/17/73/70/142177370.db2.gz TXMQMFJKKWDHAE-IRXDYDNUSA-N 2 1 341.544 1.288 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000339851170 142177372 /nfs/dbraw/zinc/17/73/72/142177372.db2.gz TXMQMFJKKWDHAE-IRXDYDNUSA-N 2 1 341.544 1.288 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000339851170 142177374 /nfs/dbraw/zinc/17/73/74/142177374.db2.gz TXMQMFJKKWDHAE-IRXDYDNUSA-N 2 1 341.544 1.288 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000340213602 142305762 /nfs/dbraw/zinc/30/57/62/142305762.db2.gz JEOPMELABFMERI-INIZCTEOSA-N 2 1 340.512 1.025 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000341044980 142551935 /nfs/dbraw/zinc/55/19/35/142551935.db2.gz CEHWYHWWCKYLRR-UHFFFAOYSA-N 2 1 349.479 1.478 20 0 EDADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000344720189 143002760 /nfs/dbraw/zinc/00/27/60/143002760.db2.gz HHVCOLLGMWTKIP-CTWPCTMYSA-N 2 1 348.535 1.536 20 0 EDADMP CC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)CC1 ZINC000345108272 143051337 /nfs/dbraw/zinc/05/13/37/143051337.db2.gz RPGKKYOYAOPFFF-MJGOQNOKSA-N 2 1 328.460 1.960 20 0 EDADMP CC[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1C[C@H](C)O ZINC000345321759 143077653 /nfs/dbraw/zinc/07/76/53/143077653.db2.gz PYCRIMPXKJODAZ-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCOC[C@H]1C ZINC000345719275 143125356 /nfs/dbraw/zinc/12/53/56/143125356.db2.gz BPPFYDWUUVYVLU-ZACQAIPSSA-N 2 1 325.497 1.534 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000345800682 143134973 /nfs/dbraw/zinc/13/49/73/143134973.db2.gz YEBGQLYTVGKEEE-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000345846879 143139255 /nfs/dbraw/zinc/13/92/55/143139255.db2.gz ASAHRSDPVYFXJJ-JKSUJKDBSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(CC[NH+]2CCCCCC2)C(C)C)C1 ZINC000345911045 143146224 /nfs/dbraw/zinc/14/62/24/143146224.db2.gz QCEJOKYCCUFEDL-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(CC[NH+]2CCCCCC2)C(C)C)C1 ZINC000345911045 143146225 /nfs/dbraw/zinc/14/62/25/143146225.db2.gz QCEJOKYCCUFEDL-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000346038394 143160266 /nfs/dbraw/zinc/16/02/66/143160266.db2.gz KDXWFCIYFGXXOP-GOSISDBHSA-N 2 1 330.476 1.062 20 0 EDADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000347003912 143270095 /nfs/dbraw/zinc/27/00/95/143270095.db2.gz ABRZUCYNBKHQQA-UHFFFAOYSA-N 2 1 345.365 1.491 20 0 EDADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000347003912 143270096 /nfs/dbraw/zinc/27/00/96/143270096.db2.gz ABRZUCYNBKHQQA-UHFFFAOYSA-N 2 1 345.365 1.491 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000347046898 143276011 /nfs/dbraw/zinc/27/60/11/143276011.db2.gz PZSRDONISHUIBJ-QGZVFWFLSA-N 2 1 340.512 1.518 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(Cl)c1 ZINC000347110660 143283724 /nfs/dbraw/zinc/28/37/24/143283724.db2.gz PONLFWDMTHFKAG-ZDUSSCGKSA-N 2 1 325.840 1.636 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1OC ZINC000347123089 143285104 /nfs/dbraw/zinc/28/51/04/143285104.db2.gz WTGVMUXTBMGZQT-INIZCTEOSA-N 2 1 347.459 1.348 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cn1C ZINC000347792291 143363768 /nfs/dbraw/zinc/36/37/68/143363768.db2.gz WHRFFHTXLBMIMT-CQSZACIVSA-N 2 1 337.464 1.336 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000424213804 292201251 /nfs/dbraw/zinc/20/12/51/292201251.db2.gz BAELAIWECXIGBP-HXUWFJFHSA-N 2 1 345.487 1.487 20 0 EDADMP C[C@@H]1C[C@H](C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000352724470 149130428 /nfs/dbraw/zinc/13/04/28/149130428.db2.gz QVVWKRGGMRCPHG-SJLPKXTDSA-N 2 1 337.508 1.678 20 0 EDADMP CO[C@H](C)c1noc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000369908073 155225894 /nfs/dbraw/zinc/22/58/94/155225894.db2.gz JDGSOZAEOOZCII-UONOGXRCSA-N 2 1 337.468 1.377 20 0 EDADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000352785502 149164803 /nfs/dbraw/zinc/16/48/03/149164803.db2.gz ZPYYBPNPQVBMPB-KRWDZBQOSA-N 2 1 332.492 1.891 20 0 EDADMP C[NH+](C)C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000353393111 149389275 /nfs/dbraw/zinc/38/92/75/149389275.db2.gz FUXMHTYBZXVRGT-DOTOQJQBSA-N 2 1 334.439 1.964 20 0 EDADMP C[NH2+]CCNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416964217 304356280 /nfs/dbraw/zinc/35/62/80/304356280.db2.gz CBLOPNKMPGVTES-GASCZTMLSA-N 2 1 334.464 1.314 20 0 EDADMP c1cnn(CC[N@H+]2CCC3(C2)CC[NH+](CCn2cccn2)CC3)c1 ZINC000369948119 155249028 /nfs/dbraw/zinc/24/90/28/155249028.db2.gz KGJQFVIRMRHAKH-UHFFFAOYSA-N 2 1 328.464 1.568 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1CCCO)c1ccccc1 ZINC000354866712 150002821 /nfs/dbraw/zinc/00/28/21/150002821.db2.gz XCURPUGLEMGXJD-ZWKOTPCHSA-N 2 1 333.476 1.642 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000355058266 150095764 /nfs/dbraw/zinc/09/57/64/150095764.db2.gz KSVCCDNPMCBVGU-IAGOWNOFSA-N 2 1 346.475 1.864 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417027671 304362250 /nfs/dbraw/zinc/36/22/50/304362250.db2.gz UFSXLLSNCLLIRW-ROUUACIJSA-N 2 1 347.507 1.402 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000417027671 304362251 /nfs/dbraw/zinc/36/22/51/304362251.db2.gz UFSXLLSNCLLIRW-ROUUACIJSA-N 2 1 347.507 1.402 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000417027671 304362252 /nfs/dbraw/zinc/36/22/52/304362252.db2.gz UFSXLLSNCLLIRW-ROUUACIJSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000355499259 150293933 /nfs/dbraw/zinc/29/39/33/150293933.db2.gz FOBZVGUEWKIAKV-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000355553664 150310771 /nfs/dbraw/zinc/31/07/71/150310771.db2.gz LLADVSDMVGJOFH-OTWHNJEPSA-N 2 1 347.503 1.905 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000417033792 304363656 /nfs/dbraw/zinc/36/36/56/304363656.db2.gz FRMRQAFBVGGUFM-OWCLPIDISA-N 2 1 326.485 1.032 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417046844 304366297 /nfs/dbraw/zinc/36/62/97/304366297.db2.gz TUXODMJYNPSUJH-HZPDHXFCSA-N 2 1 333.480 1.234 20 0 EDADMP COCC1(CNC(=O)N2CCC[N@H+](C(C)C)CC2)CC[NH2+]CC1 ZINC000333641992 292237841 /nfs/dbraw/zinc/23/78/41/292237841.db2.gz IKROHMIYLZFPKW-UHFFFAOYSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000357809016 151156910 /nfs/dbraw/zinc/15/69/10/151156910.db2.gz RPNVJPPDIFJVFJ-HOTGVXAUSA-N 2 1 340.512 1.515 20 0 EDADMP O=C(C1CCC1)N1CCN(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000358140954 151285587 /nfs/dbraw/zinc/28/55/87/151285587.db2.gz OLLJMEYTQOWDRF-ROUUACIJSA-N 2 1 334.508 1.147 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CN(C3CC3)CCO2)[C@H](C)C1 ZINC000358153365 151289063 /nfs/dbraw/zinc/28/90/63/151289063.db2.gz IIDAQUANBRFQPQ-NEWSRXKRSA-N 2 1 339.524 1.576 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOC)[C@@H](CC)C1 ZINC000358275033 151323871 /nfs/dbraw/zinc/32/38/71/151323871.db2.gz MPLLSYSZFWQQDN-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000358275033 151323872 /nfs/dbraw/zinc/32/38/72/151323872.db2.gz MPLLSYSZFWQQDN-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000358275033 151323875 /nfs/dbraw/zinc/32/38/75/151323875.db2.gz MPLLSYSZFWQQDN-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(CO)CCOCC2)[C@H](C)C1 ZINC000358327617 151338193 /nfs/dbraw/zinc/33/81/93/151338193.db2.gz JPYUWLCTGFMDOC-SJORKVTESA-N 2 1 328.497 1.502 20 0 EDADMP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358505594 151398831 /nfs/dbraw/zinc/39/88/31/151398831.db2.gz KJVPFGRFGQXPDY-UHFFFAOYSA-N 2 1 345.487 1.989 20 0 EDADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000370063856 155308895 /nfs/dbraw/zinc/30/88/95/155308895.db2.gz FHQSGMPISQDWQS-DOTOQJQBSA-N 2 1 336.480 1.119 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)NCCCC[NH3+])C[C@@H](C)O1 ZINC000417115104 304373886 /nfs/dbraw/zinc/37/38/86/304373886.db2.gz OLERBFFJRMEELW-HZPDHXFCSA-N 2 1 348.491 1.834 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2ccnc2)nc1 ZINC000360488512 152064707 /nfs/dbraw/zinc/06/47/07/152064707.db2.gz JTHXZGKQJBRBFP-OAHLLOKOSA-N 2 1 327.436 1.366 20 0 EDADMP CC(C)CC[C@H](O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000360686990 152153214 /nfs/dbraw/zinc/15/32/14/152153214.db2.gz ANJMZEXIDODGBE-RBUKOAKNSA-N 2 1 341.540 1.510 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000370129779 155339602 /nfs/dbraw/zinc/33/96/02/155339602.db2.gz NSCFPWMZBHKBAD-YESZJQIVSA-N 2 1 347.463 1.229 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000370129779 155339604 /nfs/dbraw/zinc/33/96/04/155339604.db2.gz NSCFPWMZBHKBAD-YESZJQIVSA-N 2 1 347.463 1.229 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000360797141 152209749 /nfs/dbraw/zinc/20/97/49/152209749.db2.gz IOPXDFSDNOSONG-MRXNPFEDSA-N 2 1 342.528 1.641 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000361267927 152349480 /nfs/dbraw/zinc/34/94/80/152349480.db2.gz CKTLYPFQUHORTE-CEXWTWQISA-N 3 1 338.540 1.103 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000361267927 152349482 /nfs/dbraw/zinc/34/94/82/152349482.db2.gz CKTLYPFQUHORTE-CEXWTWQISA-N 2 1 338.540 1.103 20 0 EDADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CCOCC1 ZINC000361272658 152350866 /nfs/dbraw/zinc/35/08/66/152350866.db2.gz QOJSKGJCUDBEOT-ZJPYXAASSA-N 2 1 325.497 1.186 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000363696712 153032266 /nfs/dbraw/zinc/03/22/66/153032266.db2.gz WVANUKYAQGNCPT-FGTMMUONSA-N 2 1 346.475 1.452 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000363784302 153055966 /nfs/dbraw/zinc/05/59/66/153055966.db2.gz MVTOHYFNVKNPFG-GOEBONIOSA-N 2 1 335.496 1.385 20 0 EDADMP [NH3+][C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000417191653 304382858 /nfs/dbraw/zinc/38/28/58/304382858.db2.gz YDLWOUFMXZREAH-QGZVFWFLSA-N 2 1 332.448 1.152 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417189592 304382636 /nfs/dbraw/zinc/38/26/36/304382636.db2.gz WHNWCXMYMLPBIY-SFHVURJKSA-N 2 1 346.475 1.412 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000364787804 153334543 /nfs/dbraw/zinc/33/45/43/153334543.db2.gz IDPLJLLSQNNJCZ-HUUCEWRRSA-N 2 1 333.480 1.775 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000364787804 153334545 /nfs/dbraw/zinc/33/45/45/153334545.db2.gz IDPLJLLSQNNJCZ-HUUCEWRRSA-N 2 1 333.480 1.775 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000364787804 153334546 /nfs/dbraw/zinc/33/45/46/153334546.db2.gz IDPLJLLSQNNJCZ-HUUCEWRRSA-N 2 1 333.480 1.775 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000364787804 153334549 /nfs/dbraw/zinc/33/45/49/153334549.db2.gz IDPLJLLSQNNJCZ-HUUCEWRRSA-N 2 1 333.480 1.775 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000364787804 153334550 /nfs/dbraw/zinc/33/45/50/153334550.db2.gz IDPLJLLSQNNJCZ-HUUCEWRRSA-N 2 1 333.480 1.775 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000364927149 153373107 /nfs/dbraw/zinc/37/31/07/153373107.db2.gz WEMSVNFAROLBRZ-BRWVUGGUSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)C1 ZINC000364927149 153373109 /nfs/dbraw/zinc/37/31/09/153373109.db2.gz WEMSVNFAROLBRZ-BRWVUGGUSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC000364927149 153373110 /nfs/dbraw/zinc/37/31/10/153373110.db2.gz WEMSVNFAROLBRZ-BRWVUGGUSA-N 2 1 338.496 1.079 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)Cc3ccc[nH]3)CC2)CC1 ZINC000367076445 154001724 /nfs/dbraw/zinc/00/17/24/154001724.db2.gz NWWPQIWTQKWPEZ-UHFFFAOYSA-N 2 1 332.492 1.870 20 0 EDADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000367375826 154094054 /nfs/dbraw/zinc/09/40/54/154094054.db2.gz XBWUGVKNDIQFOI-HOTGVXAUSA-N 2 1 334.439 1.765 20 0 EDADMP CC(=O)Nc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000367472382 154139633 /nfs/dbraw/zinc/13/96/33/154139633.db2.gz KCEGNHFRLDKRKO-LJQANCHMSA-N 2 1 330.476 1.857 20 0 EDADMP CC(=O)Nc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000367472382 154139635 /nfs/dbraw/zinc/13/96/35/154139635.db2.gz KCEGNHFRLDKRKO-LJQANCHMSA-N 2 1 330.476 1.857 20 0 EDADMP COC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000367548790 154170968 /nfs/dbraw/zinc/17/09/68/154170968.db2.gz FXQMXKAUZQTEPT-SNPRPXQTSA-N 2 1 325.840 1.423 20 0 EDADMP CN(c1ccccc1C[N@H+]1CC[C@H](CC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000367702659 154234968 /nfs/dbraw/zinc/23/49/68/154234968.db2.gz HVWNNGUVNVWLDI-MRXNPFEDSA-N 2 1 344.503 1.914 20 0 EDADMP CC(C)Cn1cc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cn1 ZINC000367719522 154242655 /nfs/dbraw/zinc/24/26/55/154242655.db2.gz ICTWGGSKOWYQPW-SFHVURJKSA-N 2 1 333.524 1.999 20 0 EDADMP CC(C)Cn1cc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cn1 ZINC000367719522 154242659 /nfs/dbraw/zinc/24/26/59/154242659.db2.gz ICTWGGSKOWYQPW-SFHVURJKSA-N 2 1 333.524 1.999 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000367984093 154354482 /nfs/dbraw/zinc/35/44/82/154354482.db2.gz TWTSMGJLIYCDKI-XIRDDKMYSA-N 2 1 347.459 1.294 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000417340038 304392774 /nfs/dbraw/zinc/39/27/74/304392774.db2.gz LUHLUVGAHFSJBM-OAHLLOKOSA-N 2 1 330.476 1.827 20 0 EDADMP [NH3+]C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000417358318 304394870 /nfs/dbraw/zinc/39/48/70/304394870.db2.gz FIYCHQFAVVYERQ-BBRMVZONSA-N 2 1 336.505 1.997 20 0 EDADMP O=C(CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)NCCOc1ccccc1 ZINC000369599055 155103588 /nfs/dbraw/zinc/10/35/88/155103588.db2.gz GRTHEPZZSWVKPP-NEWSRXKRSA-N 2 1 343.471 1.598 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@@]1([NH+](C)C)CCCSC1)c1ccco1 ZINC000372253642 156289249 /nfs/dbraw/zinc/28/92/49/156289249.db2.gz AAYFLWANGDOJMT-CZUORRHYSA-N 2 1 325.478 1.826 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000372309113 156325321 /nfs/dbraw/zinc/32/53/21/156325321.db2.gz UWZPZXKIYJLHOK-QGZVFWFLSA-N 2 1 333.480 1.955 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)c1 ZINC000372313204 156327123 /nfs/dbraw/zinc/32/71/23/156327123.db2.gz JGINZURTLWRURV-IBGZPJMESA-N 2 1 342.487 1.029 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)c1 ZINC000372313204 156327127 /nfs/dbraw/zinc/32/71/27/156327127.db2.gz JGINZURTLWRURV-IBGZPJMESA-N 2 1 342.487 1.029 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000373840909 157028376 /nfs/dbraw/zinc/02/83/76/157028376.db2.gz HOZBIDCBKJXDDD-CVYDXHPNSA-N 2 1 330.476 1.796 20 0 EDADMP C[C@H](O)COC(=O)CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000373899197 157054257 /nfs/dbraw/zinc/05/42/57/157054257.db2.gz JDMHQRSXTXUMLC-HNNXBMFYSA-N 2 1 335.448 1.544 20 0 EDADMP CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374525470 157318251 /nfs/dbraw/zinc/31/82/51/157318251.db2.gz YXWIRVFLXVXHCL-GOSISDBHSA-N 2 1 339.480 1.062 20 0 EDADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374525470 157318255 /nfs/dbraw/zinc/31/82/55/157318255.db2.gz YXWIRVFLXVXHCL-GOSISDBHSA-N 2 1 339.480 1.062 20 0 EDADMP C[C@@H]1CN(C[C@H](O)c2ccccc2F)CC[N@@H+]1C1CCN(C)CC1 ZINC000374608358 157344094 /nfs/dbraw/zinc/34/40/94/157344094.db2.gz WPIUAQSJZXFRPW-BEFAXECRSA-N 2 1 335.467 1.959 20 0 EDADMP C[C@@H]1CN(C[C@H](O)c2ccccc2F)CC[N@H+]1C1CCN(C)CC1 ZINC000374608358 157344098 /nfs/dbraw/zinc/34/40/98/157344098.db2.gz WPIUAQSJZXFRPW-BEFAXECRSA-N 2 1 335.467 1.959 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377880921 158018842 /nfs/dbraw/zinc/01/88/42/158018842.db2.gz UDUICXGFDWRXHX-HOTGVXAUSA-N 2 1 335.452 1.134 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377880921 158018843 /nfs/dbraw/zinc/01/88/43/158018843.db2.gz UDUICXGFDWRXHX-HOTGVXAUSA-N 2 1 335.452 1.134 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCC[C@H]3C)CC2)C1 ZINC000378196574 158105096 /nfs/dbraw/zinc/10/50/96/158105096.db2.gz NOQLPZQLMVGEHP-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000378196574 158105098 /nfs/dbraw/zinc/10/50/98/158105098.db2.gz NOQLPZQLMVGEHP-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)C1 ZINC000378196574 158105099 /nfs/dbraw/zinc/10/50/99/158105099.db2.gz NOQLPZQLMVGEHP-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCC[C@H]3C)CC2)C1 ZINC000378196576 158105207 /nfs/dbraw/zinc/10/52/07/158105207.db2.gz NOQLPZQLMVGEHP-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000378196576 158105209 /nfs/dbraw/zinc/10/52/09/158105209.db2.gz NOQLPZQLMVGEHP-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)C1 ZINC000378196576 158105211 /nfs/dbraw/zinc/10/52/11/158105211.db2.gz NOQLPZQLMVGEHP-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352541222 162240586 /nfs/dbraw/zinc/24/05/86/162240586.db2.gz VFNKUEKTSHSFBP-IBGZPJMESA-N 2 1 331.460 1.729 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352541222 162240588 /nfs/dbraw/zinc/24/05/88/162240588.db2.gz VFNKUEKTSHSFBP-IBGZPJMESA-N 2 1 331.460 1.729 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C[C@H]1[NH+]1CCOCC1 ZINC000356821389 287149222 /nfs/dbraw/zinc/14/92/22/287149222.db2.gz OACXEDRUHSAMGN-BZUAXINKSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000363558063 287350989 /nfs/dbraw/zinc/35/09/89/287350989.db2.gz ORAAMDWQNYIUDH-VSZNYVQBSA-N 2 1 334.508 1.844 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000363558063 287350990 /nfs/dbraw/zinc/35/09/90/287350990.db2.gz ORAAMDWQNYIUDH-VSZNYVQBSA-N 2 1 334.508 1.844 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000363558063 287350991 /nfs/dbraw/zinc/35/09/91/287350991.db2.gz ORAAMDWQNYIUDH-VSZNYVQBSA-N 2 1 334.508 1.844 20 0 EDADMP O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@H]1CSC[NH2+]1 ZINC000168092855 226208640 /nfs/dbraw/zinc/20/86/40/226208640.db2.gz ZUMIBDIRBPLVPY-IAGOWNOFSA-N 2 1 349.500 1.211 20 0 EDADMP C[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000122345237 222066720 /nfs/dbraw/zinc/06/67/20/222066720.db2.gz QCKBGYMSPOBQRC-KXBFYZLASA-N 2 1 348.491 1.045 20 0 EDADMP CO[C@@]1(C)CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665762816 452338106 /nfs/dbraw/zinc/33/81/06/452338106.db2.gz QVFHTBBUFQIDJR-WMZOPIPTSA-N 2 1 342.528 1.859 20 0 EDADMP CO[C@@]1(C)CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665762816 452338119 /nfs/dbraw/zinc/33/81/19/452338119.db2.gz QVFHTBBUFQIDJR-WMZOPIPTSA-N 2 1 342.528 1.859 20 0 EDADMP C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274783173 268205793 /nfs/dbraw/zinc/20/57/93/268205793.db2.gz PRBWEENHXURJEL-WBVHZDCISA-N 2 1 341.459 1.640 20 0 EDADMP O=C(NCCC[NH+]1CCCC1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000273069303 273027572 /nfs/dbraw/zinc/02/75/72/273027572.db2.gz DJLGTFRIOKMZEN-IBGZPJMESA-N 2 1 345.487 1.787 20 0 EDADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(OC(F)F)cc1 ZINC000275343834 268327069 /nfs/dbraw/zinc/32/70/69/268327069.db2.gz YEGSNHUDYNKFGK-UHFFFAOYSA-N 2 1 341.402 1.884 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(OC(F)F)cc1 ZINC000275343834 268327072 /nfs/dbraw/zinc/32/70/72/268327072.db2.gz YEGSNHUDYNKFGK-UHFFFAOYSA-N 2 1 341.402 1.884 20 0 EDADMP CN1CCO[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)C1 ZINC000276089435 268395914 /nfs/dbraw/zinc/39/59/14/268395914.db2.gz VRUXVVDIESNSBY-ZWKOTPCHSA-N 2 1 346.475 1.225 20 0 EDADMP C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000276089435 268395916 /nfs/dbraw/zinc/39/59/16/268395916.db2.gz VRUXVVDIESNSBY-ZWKOTPCHSA-N 2 1 346.475 1.225 20 0 EDADMP C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000276089435 268395918 /nfs/dbraw/zinc/39/59/18/268395918.db2.gz VRUXVVDIESNSBY-ZWKOTPCHSA-N 2 1 346.475 1.225 20 0 EDADMP C[NH+](Cc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000276089435 268395920 /nfs/dbraw/zinc/39/59/20/268395920.db2.gz VRUXVVDIESNSBY-ZWKOTPCHSA-N 2 1 346.475 1.225 20 0 EDADMP C[N@@H+](CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000278916853 273271312 /nfs/dbraw/zinc/27/13/12/273271312.db2.gz COWXROQFODJBDQ-MRXNPFEDSA-N 2 1 341.459 1.739 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000362564586 275011198 /nfs/dbraw/zinc/01/11/98/275011198.db2.gz MFQVMUNDXUKVBE-CABCVRRESA-N 2 1 331.464 1.577 20 0 EDADMP CC[N@@H+](CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000131944244 276080103 /nfs/dbraw/zinc/08/01/03/276080103.db2.gz XSQZYFHVNFIKGP-IYBDPMFKSA-N 2 1 337.508 1.819 20 0 EDADMP CC[NH+](CC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000131944244 276080104 /nfs/dbraw/zinc/08/01/04/276080104.db2.gz XSQZYFHVNFIKGP-IYBDPMFKSA-N 2 1 337.508 1.819 20 0 EDADMP CC[NH+](CC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000131944244 276080105 /nfs/dbraw/zinc/08/01/05/276080105.db2.gz XSQZYFHVNFIKGP-IYBDPMFKSA-N 2 1 337.508 1.819 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000359948869 276260317 /nfs/dbraw/zinc/26/03/17/276260317.db2.gz IHIWUOAKBDBOIX-IAGOWNOFSA-N 2 1 325.497 1.770 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccn(C(C)C)n1 ZINC000353730601 276370970 /nfs/dbraw/zinc/37/09/70/276370970.db2.gz RIGUKSDHNTXNNR-MRXNPFEDSA-N 2 1 335.496 1.952 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442779401 276375494 /nfs/dbraw/zinc/37/54/94/276375494.db2.gz MFVRGKBHSBLACP-LSDHHAIUSA-N 2 1 335.448 1.249 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442779401 276375495 /nfs/dbraw/zinc/37/54/95/276375495.db2.gz MFVRGKBHSBLACP-LSDHHAIUSA-N 2 1 335.448 1.249 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](OC)C2CCCC2)CC1 ZINC000659878283 452754776 /nfs/dbraw/zinc/75/47/76/452754776.db2.gz KLHLWTJNXDZEBE-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(N2CCOCC2)CCCOC1 ZINC000371946194 276808902 /nfs/dbraw/zinc/80/89/02/276808902.db2.gz FYDSFSANKQQRLV-SFHVURJKSA-N 2 1 334.464 1.119 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[NH2+]C[C@](C)(F)C1)Cc1ccccc1 ZINC000416829706 276820797 /nfs/dbraw/zinc/82/07/97/276820797.db2.gz FYRAFVNUSYNQCI-AEFFLSMTSA-N 2 1 336.455 1.502 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000305825902 277110548 /nfs/dbraw/zinc/11/05/48/277110548.db2.gz MNODOYOALQPRNU-RTBURBONSA-N 2 1 335.467 1.961 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000305825902 277110551 /nfs/dbraw/zinc/11/05/51/277110551.db2.gz MNODOYOALQPRNU-RTBURBONSA-N 2 1 335.467 1.961 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C3CCC(F)(F)CC3)cn2)CC1 ZINC000341724093 277114473 /nfs/dbraw/zinc/11/44/73/277114473.db2.gz WZVIRDUGCSXSPV-UHFFFAOYSA-N 2 1 325.407 1.896 20 0 EDADMP COC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000373688778 277570775 /nfs/dbraw/zinc/57/07/75/277570775.db2.gz WUZXGJWDCRLPRN-QZTJIDSGSA-N 2 1 325.497 1.188 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000659927813 452820675 /nfs/dbraw/zinc/82/06/75/452820675.db2.gz SYRHBGVLKFDURK-HZPDHXFCSA-N 2 1 327.513 1.562 20 0 EDADMP CC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369396090 279030693 /nfs/dbraw/zinc/03/06/93/279030693.db2.gz UAPIHVQIFCVKMR-OWCLPIDISA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369396090 279030695 /nfs/dbraw/zinc/03/06/95/279030695.db2.gz UAPIHVQIFCVKMR-OWCLPIDISA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369396090 279030696 /nfs/dbraw/zinc/03/06/96/279030696.db2.gz UAPIHVQIFCVKMR-OWCLPIDISA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000362471887 279034892 /nfs/dbraw/zinc/03/48/92/279034892.db2.gz TZHCNIPUNQWYCP-ULQDDVLXSA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000362471887 279034894 /nfs/dbraw/zinc/03/48/94/279034894.db2.gz TZHCNIPUNQWYCP-ULQDDVLXSA-N 2 1 338.496 1.223 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)C1 ZINC000362471887 279034897 /nfs/dbraw/zinc/03/48/97/279034897.db2.gz TZHCNIPUNQWYCP-ULQDDVLXSA-N 2 1 338.496 1.223 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)C1 ZINC000362471887 279034899 /nfs/dbraw/zinc/03/48/99/279034899.db2.gz TZHCNIPUNQWYCP-ULQDDVLXSA-N 2 1 338.496 1.223 20 0 EDADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000336857881 279135304 /nfs/dbraw/zinc/13/53/04/279135304.db2.gz VREVCCLDQFDYAB-HZPDHXFCSA-N 2 1 331.526 1.322 20 0 EDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000336857881 279135306 /nfs/dbraw/zinc/13/53/06/279135306.db2.gz VREVCCLDQFDYAB-HZPDHXFCSA-N 2 1 331.526 1.322 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000111866138 279281368 /nfs/dbraw/zinc/28/13/68/279281368.db2.gz ONPVKBZVDLDDML-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000111866138 279281371 /nfs/dbraw/zinc/28/13/71/279281371.db2.gz ONPVKBZVDLDDML-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000111866138 279281372 /nfs/dbraw/zinc/28/13/72/279281372.db2.gz ONPVKBZVDLDDML-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCSC ZINC000341180823 279302631 /nfs/dbraw/zinc/30/26/31/279302631.db2.gz PUCIMRLFOPNBTG-OAHLLOKOSA-N 2 1 330.542 1.797 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000458386119 279330658 /nfs/dbraw/zinc/33/06/58/279330658.db2.gz VWYFWTRVHUTJJQ-SJORKVTESA-N 2 1 348.491 1.215 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000458386119 279330659 /nfs/dbraw/zinc/33/06/59/279330659.db2.gz VWYFWTRVHUTJJQ-SJORKVTESA-N 2 1 348.491 1.215 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](CCO)C[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000458386119 279330660 /nfs/dbraw/zinc/33/06/60/279330660.db2.gz VWYFWTRVHUTJJQ-SJORKVTESA-N 2 1 348.491 1.215 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](CCO)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000458386119 279330661 /nfs/dbraw/zinc/33/06/61/279330661.db2.gz VWYFWTRVHUTJJQ-SJORKVTESA-N 2 1 348.491 1.215 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000101626961 279355972 /nfs/dbraw/zinc/35/59/72/279355972.db2.gz IGKGRRROGQAVHQ-SFHVURJKSA-N 2 1 332.492 1.433 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000416999024 279363349 /nfs/dbraw/zinc/36/33/49/279363349.db2.gz XJFQVYHIDFDKCY-INIZCTEOSA-N 2 1 347.507 1.361 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000416991698 279363470 /nfs/dbraw/zinc/36/34/70/279363470.db2.gz OPZQOODGFISYCD-INIZCTEOSA-N 2 1 347.507 1.218 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@]23C[NH2+]C[C@H]2CCCC3)C[C@H](C)O1 ZINC000357171665 288159585 /nfs/dbraw/zinc/15/95/85/288159585.db2.gz HBCHCMCVYKVQPV-NTDBWNAOSA-N 2 1 337.508 1.772 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000337333027 280246302 /nfs/dbraw/zinc/24/63/02/280246302.db2.gz JAAMNYHZCSZUMI-KRWDZBQOSA-N 2 1 340.512 1.374 20 0 EDADMP C[NH+](C)CC1(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000375202404 282070524 /nfs/dbraw/zinc/07/05/24/282070524.db2.gz QKRCENQLPQQPIS-HZPDHXFCSA-N 2 1 338.496 1.271 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000290012074 288821158 /nfs/dbraw/zinc/82/11/58/288821158.db2.gz QJGLKSRJWHAHQX-SJORKVTESA-N 2 1 344.459 1.401 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)CC1 ZINC000290398602 288892982 /nfs/dbraw/zinc/89/29/82/288892982.db2.gz LVDNQMPXHNLADR-OTWHNJEPSA-N 2 1 342.487 1.043 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000356517955 289132242 /nfs/dbraw/zinc/13/22/42/289132242.db2.gz GJPMUBQNMQTKEL-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000356517955 289132243 /nfs/dbraw/zinc/13/22/43/289132243.db2.gz GJPMUBQNMQTKEL-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000356517955 289132244 /nfs/dbraw/zinc/13/22/44/289132244.db2.gz GJPMUBQNMQTKEL-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP CN(CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC[NH+](C)C ZINC000356517955 289132245 /nfs/dbraw/zinc/13/22/45/289132245.db2.gz GJPMUBQNMQTKEL-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP CN(CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC[NH+](C)C ZINC000356517955 289132246 /nfs/dbraw/zinc/13/22/46/289132246.db2.gz GJPMUBQNMQTKEL-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000372478810 289193921 /nfs/dbraw/zinc/19/39/21/289193921.db2.gz WXCCVEPPEVKSKD-YESZJQIVSA-N 2 1 338.496 1.223 20 0 EDADMP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000292614693 289395723 /nfs/dbraw/zinc/39/57/23/289395723.db2.gz XOVWCXHKTXNSQY-SQNIBIBYSA-N 2 1 345.512 1.987 20 0 EDADMP C[C@H](CC(=O)NCC1([NH+]2CCOCC2)CCCC1)C1CC[NH2+]CC1 ZINC000361718669 289422040 /nfs/dbraw/zinc/42/20/40/289422040.db2.gz PHURSTFSSLGAHY-MRXNPFEDSA-N 2 1 337.508 1.773 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)[C@@H](C)C1 ZINC000334095483 290093890 /nfs/dbraw/zinc/09/38/90/290093890.db2.gz RJBJQSTZAGPEFX-GJZGRUSLSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000351767312 290096550 /nfs/dbraw/zinc/09/65/50/290096550.db2.gz GJSULXILVIYSHQ-ULQDDVLXSA-N 2 1 340.512 1.205 20 0 EDADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363715210 293019609 /nfs/dbraw/zinc/01/96/09/293019609.db2.gz UNLDUTDMBVEZAB-CWRNSKLLSA-N 2 1 339.505 1.697 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000362569793 300225277 /nfs/dbraw/zinc/22/52/77/300225277.db2.gz OWQWRPGLZXESEC-LSDHHAIUSA-N 2 1 325.522 1.662 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000372842837 447311075 /nfs/dbraw/zinc/31/10/75/447311075.db2.gz QWAFVOBKIKGFAJ-NUJGCVRESA-N 2 1 349.519 1.866 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000425811985 447312425 /nfs/dbraw/zinc/31/24/25/447312425.db2.gz MEMNKIIANWHVSR-DOTOQJQBSA-N 2 1 344.459 1.239 20 0 EDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)CC[NH2+]1 ZINC000414754493 447322890 /nfs/dbraw/zinc/32/28/90/447322890.db2.gz GEILZAANRSLQNR-CVYDXHPNSA-N 2 1 337.487 1.652 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000295042285 303166364 /nfs/dbraw/zinc/16/63/64/303166364.db2.gz POCICCOLOSWJTP-WOUAJJJCSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000295042285 303166365 /nfs/dbraw/zinc/16/63/65/303166365.db2.gz POCICCOLOSWJTP-WOUAJJJCSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000295042285 303166367 /nfs/dbraw/zinc/16/63/67/303166367.db2.gz POCICCOLOSWJTP-WOUAJJJCSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000295042285 303166369 /nfs/dbraw/zinc/16/63/69/303166369.db2.gz POCICCOLOSWJTP-WOUAJJJCSA-N 3 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000295042285 303166370 /nfs/dbraw/zinc/16/63/70/303166370.db2.gz POCICCOLOSWJTP-WOUAJJJCSA-N 3 1 331.504 1.724 20 0 EDADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000295074403 303170418 /nfs/dbraw/zinc/17/04/18/303170418.db2.gz HSDYQGCNTYOHMD-UHFFFAOYSA-N 2 1 325.478 1.841 20 0 EDADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000295909177 303282192 /nfs/dbraw/zinc/28/21/92/303282192.db2.gz IVDPEZBYYQEGGW-GJZGRUSLSA-N 2 1 334.464 1.856 20 0 EDADMP CC(C)N(C)C(=O)[C@H](C)N1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000295909177 303282196 /nfs/dbraw/zinc/28/21/96/303282196.db2.gz IVDPEZBYYQEGGW-GJZGRUSLSA-N 2 1 334.464 1.856 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000458373583 447332441 /nfs/dbraw/zinc/33/24/41/447332441.db2.gz IRPKAHNZVRGUKC-HZPDHXFCSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458373583 447332448 /nfs/dbraw/zinc/33/24/48/447332448.db2.gz IRPKAHNZVRGUKC-HZPDHXFCSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000458373583 447332455 /nfs/dbraw/zinc/33/24/55/447332455.db2.gz IRPKAHNZVRGUKC-HZPDHXFCSA-N 2 1 326.485 1.007 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000458373193 447332662 /nfs/dbraw/zinc/33/26/62/447332662.db2.gz RMPYLNCUSHBXMJ-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458373193 447332669 /nfs/dbraw/zinc/33/26/69/447332669.db2.gz RMPYLNCUSHBXMJ-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000414880140 447340303 /nfs/dbraw/zinc/34/03/03/447340303.db2.gz QCJMJDYAPBDOKY-MRXNPFEDSA-N 2 1 346.475 1.581 20 0 EDADMP CCOc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414888173 447345454 /nfs/dbraw/zinc/34/54/54/447345454.db2.gz JVTKQGWGTLDQDL-XJKSGUPXSA-N 2 1 349.475 1.768 20 0 EDADMP CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)C12CCCC2 ZINC000429690834 305035233 /nfs/dbraw/zinc/03/52/33/305035233.db2.gz UKZVMYCQCAIZIX-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)C12CCCC2 ZINC000429690834 305035234 /nfs/dbraw/zinc/03/52/34/305035234.db2.gz UKZVMYCQCAIZIX-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2CC[NH+]2CCCOCC2)C[C@H](C)O1 ZINC000429728227 305035831 /nfs/dbraw/zinc/03/58/31/305035831.db2.gz DUBVDSBSIVVXJW-KSZLIROESA-N 2 1 325.497 1.282 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2CC[NH+]2CCCOCC2)C[C@H](C)O1 ZINC000429728227 305035832 /nfs/dbraw/zinc/03/58/32/305035832.db2.gz DUBVDSBSIVVXJW-KSZLIROESA-N 2 1 325.497 1.282 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2CC[N@@H+]2CCCOCC2)C[C@H](C)O1 ZINC000429728227 305035833 /nfs/dbraw/zinc/03/58/33/305035833.db2.gz DUBVDSBSIVVXJW-KSZLIROESA-N 2 1 325.497 1.282 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2CC[N@H+]2CCCOCC2)C[C@H](C)O1 ZINC000429728227 305035834 /nfs/dbraw/zinc/03/58/34/305035834.db2.gz DUBVDSBSIVVXJW-KSZLIROESA-N 2 1 325.497 1.282 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000430569193 305056280 /nfs/dbraw/zinc/05/62/80/305056280.db2.gz DUQDEDKHEUODOK-UHFFFAOYSA-N 2 1 344.459 1.578 20 0 EDADMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccccc2N2CCCC2=O)CC1 ZINC000430604100 305058141 /nfs/dbraw/zinc/05/81/41/305058141.db2.gz LYGDXWHHJTXBAU-UHFFFAOYSA-N 2 1 330.432 1.423 20 0 EDADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430627397 305060106 /nfs/dbraw/zinc/06/01/06/305060106.db2.gz NBVAZBCVANFYHB-HZPDHXFCSA-N 2 1 344.459 1.157 20 0 EDADMP CCCc1nc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000430671852 305061953 /nfs/dbraw/zinc/06/19/53/305061953.db2.gz YITZOXJAFSZJFY-CQSZACIVSA-N 2 1 336.505 1.739 20 0 EDADMP CCCc1nc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000430671852 305061954 /nfs/dbraw/zinc/06/19/54/305061954.db2.gz YITZOXJAFSZJFY-CQSZACIVSA-N 2 1 336.505 1.739 20 0 EDADMP COCC[C@]1(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430781560 305064915 /nfs/dbraw/zinc/06/49/15/305064915.db2.gz UDDZQRZAUGYCFA-ILZDJORESA-N 2 1 345.487 1.782 20 0 EDADMP CCC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000430878915 305066681 /nfs/dbraw/zinc/06/66/81/305066681.db2.gz QGVFMULBFCDWGD-GJZGRUSLSA-N 2 1 332.448 1.450 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000430876709 305066738 /nfs/dbraw/zinc/06/67/38/305066738.db2.gz GSBCQUYKXIRJLT-IMJJTQAJSA-N 2 1 344.459 1.450 20 0 EDADMP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000430931110 305068859 /nfs/dbraw/zinc/06/88/59/305068859.db2.gz YTGYRVMRNNFCKK-CHWSQXEVSA-N 2 1 330.432 1.419 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430934532 305068998 /nfs/dbraw/zinc/06/89/98/305068998.db2.gz PGGDJABZGGPBAI-JFIYKMOQSA-N 2 1 330.476 1.393 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430934532 305068999 /nfs/dbraw/zinc/06/89/99/305068999.db2.gz PGGDJABZGGPBAI-JFIYKMOQSA-N 2 1 330.476 1.393 20 0 EDADMP CCOC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432096825 305087142 /nfs/dbraw/zinc/08/71/42/305087142.db2.gz KOOHCPVNNGWHOG-KSSFIOAISA-N 2 1 335.448 1.631 20 0 EDADMP CCOC(=O)[C@@](C)(O)C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432096825 305087143 /nfs/dbraw/zinc/08/71/43/305087143.db2.gz KOOHCPVNNGWHOG-KSSFIOAISA-N 2 1 335.448 1.631 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CCC[N@H+]1C ZINC000433411716 305108369 /nfs/dbraw/zinc/10/83/69/305108369.db2.gz QWECWKRQLOKIBT-BZUAXINKSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CCC[NH+]1C ZINC000433411716 305108370 /nfs/dbraw/zinc/10/83/70/305108370.db2.gz QWECWKRQLOKIBT-BZUAXINKSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CCC[NH+]1C ZINC000433411716 305108371 /nfs/dbraw/zinc/10/83/71/305108371.db2.gz QWECWKRQLOKIBT-BZUAXINKSA-N 2 1 326.485 1.269 20 0 EDADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](CCOC)CC2)cn1 ZINC000433966970 305116090 /nfs/dbraw/zinc/11/60/90/305116090.db2.gz JNNWTVVFTDAQAH-ZWKOTPCHSA-N 2 1 336.480 1.824 20 0 EDADMP CC[N@H+](CC(=O)NCCOc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435628916 305143926 /nfs/dbraw/zinc/14/39/26/305143926.db2.gz WHPZQQVQXBPRSO-INIZCTEOSA-N 2 1 337.439 1.785 20 0 EDADMP CC[N@@H+](CC(=O)NCCOc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435628916 305143927 /nfs/dbraw/zinc/14/39/27/305143927.db2.gz WHPZQQVQXBPRSO-INIZCTEOSA-N 2 1 337.439 1.785 20 0 EDADMP CCOc1ccccc1OCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436062805 305151931 /nfs/dbraw/zinc/15/19/31/305151931.db2.gz JYLSAXJNUSTIGK-INIZCTEOSA-N 2 1 349.475 1.784 20 0 EDADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCSCC1 ZINC000438868461 305190295 /nfs/dbraw/zinc/19/02/95/305190295.db2.gz PIKTZNHQCWTDED-MRXNPFEDSA-N 2 1 342.553 1.845 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCSCC1 ZINC000438868461 305190296 /nfs/dbraw/zinc/19/02/96/305190296.db2.gz PIKTZNHQCWTDED-MRXNPFEDSA-N 2 1 342.553 1.845 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000440981883 305215690 /nfs/dbraw/zinc/21/56/90/305215690.db2.gz KSSUHFLJFBCCLK-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443067440 305234305 /nfs/dbraw/zinc/23/43/05/305234305.db2.gz GQRQCBYRZOSFSW-CHWSQXEVSA-N 2 1 336.411 1.923 20 0 EDADMP C[C@@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)N1CC[NH+](C)CC1 ZINC000447723803 305284505 /nfs/dbraw/zinc/28/45/05/305284505.db2.gz RGFCYLWFWNOWHE-YOEHRIQHSA-N 2 1 346.475 1.646 20 0 EDADMP C[N@@H+](CCO)C1CCN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000448262445 305295025 /nfs/dbraw/zinc/29/50/25/305295025.db2.gz XLDFHDUCGHVMSB-INIZCTEOSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH+](CCO)C1CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448262445 305295026 /nfs/dbraw/zinc/29/50/26/305295026.db2.gz XLDFHDUCGHVMSB-INIZCTEOSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH+](CCO)C1CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448262445 305295027 /nfs/dbraw/zinc/29/50/27/305295027.db2.gz XLDFHDUCGHVMSB-INIZCTEOSA-N 2 1 340.512 1.205 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000451335375 305339679 /nfs/dbraw/zinc/33/96/79/305339679.db2.gz DDKYWOTXTDUVOJ-WNRNVDISSA-N 2 1 337.508 1.555 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000451335375 305339680 /nfs/dbraw/zinc/33/96/80/305339680.db2.gz DDKYWOTXTDUVOJ-WNRNVDISSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000458409114 447351407 /nfs/dbraw/zinc/35/14/07/447351407.db2.gz LVLLUQCBIYOABV-LSDHHAIUSA-N 2 1 328.501 1.061 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000458409114 447351409 /nfs/dbraw/zinc/35/14/09/447351409.db2.gz LVLLUQCBIYOABV-LSDHHAIUSA-N 2 1 328.501 1.061 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NCC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000514672184 305701662 /nfs/dbraw/zinc/70/16/62/305701662.db2.gz RCDZBQHBUBFUHL-SFHVURJKSA-N 2 1 330.476 1.091 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000414917513 447355792 /nfs/dbraw/zinc/35/57/92/447355792.db2.gz WBUMVYKEKMEIOC-MRXNPFEDSA-N 2 1 330.432 1.041 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000414917513 447355796 /nfs/dbraw/zinc/35/57/96/447355796.db2.gz WBUMVYKEKMEIOC-MRXNPFEDSA-N 2 1 330.432 1.041 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000414935596 447364456 /nfs/dbraw/zinc/36/44/56/447364456.db2.gz BBZQRGNMKKPLSI-BBRMVZONSA-N 2 1 332.448 1.189 20 0 EDADMP C[N@@H+](CCc1cccc(NC(=O)[C@@H]2C[NH+]3CCN2CCC3)c1)C1CC1 ZINC000537168514 306026555 /nfs/dbraw/zinc/02/65/55/306026555.db2.gz XRCTVAJFNLFVMK-IBGZPJMESA-N 2 1 342.487 1.652 20 0 EDADMP C[NH+](CCc1cccc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1)C1CC1 ZINC000537168514 306026556 /nfs/dbraw/zinc/02/65/56/306026556.db2.gz XRCTVAJFNLFVMK-IBGZPJMESA-N 2 1 342.487 1.652 20 0 EDADMP C[NH+](CCc1cccc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c1)C1CC1 ZINC000537168514 306026557 /nfs/dbraw/zinc/02/65/57/306026557.db2.gz XRCTVAJFNLFVMK-IBGZPJMESA-N 2 1 342.487 1.652 20 0 EDADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC000542133108 306051453 /nfs/dbraw/zinc/05/14/53/306051453.db2.gz OMYUKVCXRGCCSS-UKRRQHHQSA-N 2 1 325.478 1.859 20 0 EDADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC000542133108 306051454 /nfs/dbraw/zinc/05/14/54/306051454.db2.gz OMYUKVCXRGCCSS-UKRRQHHQSA-N 2 1 325.478 1.859 20 0 EDADMP CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000542649062 306055980 /nfs/dbraw/zinc/05/59/80/306055980.db2.gz WRQMNSALFLZILI-CYBMUJFWSA-N 2 1 344.463 1.496 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000542649062 306055981 /nfs/dbraw/zinc/05/59/81/306055981.db2.gz WRQMNSALFLZILI-CYBMUJFWSA-N 2 1 344.463 1.496 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000544587828 306076986 /nfs/dbraw/zinc/07/69/86/306076986.db2.gz KMQORRXVKZTILL-KRWDZBQOSA-N 2 1 325.497 1.868 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000545175771 306080901 /nfs/dbraw/zinc/08/09/01/306080901.db2.gz SGQQSXPCGQAMDW-HKUYNNGSSA-N 2 1 346.475 1.017 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000545175771 306080902 /nfs/dbraw/zinc/08/09/02/306080902.db2.gz SGQQSXPCGQAMDW-HKUYNNGSSA-N 2 1 346.475 1.017 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000545175771 306080903 /nfs/dbraw/zinc/08/09/03/306080903.db2.gz SGQQSXPCGQAMDW-HKUYNNGSSA-N 2 1 346.475 1.017 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000546732774 306095601 /nfs/dbraw/zinc/09/56/01/306095601.db2.gz PWXPJPJKPKGNNI-IAGOWNOFSA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000546732774 306095602 /nfs/dbraw/zinc/09/56/02/306095602.db2.gz PWXPJPJKPKGNNI-IAGOWNOFSA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000546732774 306095603 /nfs/dbraw/zinc/09/56/03/306095603.db2.gz PWXPJPJKPKGNNI-IAGOWNOFSA-N 2 1 339.528 1.042 20 0 EDADMP CO[C@@H]1CCCC[C@@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000549559339 306146699 /nfs/dbraw/zinc/14/66/99/306146699.db2.gz HAYTYEJURCWORA-WMLDXEAASA-N 2 1 332.448 1.977 20 0 EDADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000552191636 306177530 /nfs/dbraw/zinc/17/75/30/306177530.db2.gz NBTNDLFHILTANB-HNNXBMFYSA-N 2 1 340.512 1.022 20 0 EDADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000552297951 306178690 /nfs/dbraw/zinc/17/86/90/306178690.db2.gz MBRPMYMZLFNZMJ-RNJOBUHISA-N 2 1 339.509 1.993 20 0 EDADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000552297951 306178691 /nfs/dbraw/zinc/17/86/91/306178691.db2.gz MBRPMYMZLFNZMJ-RNJOBUHISA-N 2 1 339.509 1.993 20 0 EDADMP C[C@@H]1[NH2+]CCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000557137476 306224797 /nfs/dbraw/zinc/22/47/97/306224797.db2.gz PSDIFECWEIKVDJ-HOTGVXAUSA-N 2 1 346.475 1.411 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000449707193 447387414 /nfs/dbraw/zinc/38/74/14/447387414.db2.gz CXOCQYWAIBNJNK-SJLPKXTDSA-N 2 1 349.450 1.532 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CC[NH2+]CC3(C)C)cc2)CC1 ZINC000449707912 447388136 /nfs/dbraw/zinc/38/81/36/447388136.db2.gz SONRZMAIPRZLIT-GOSISDBHSA-N 2 1 344.503 1.552 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665366166 453669804 /nfs/dbraw/zinc/66/98/04/453669804.db2.gz SJPJKKBTSULTNI-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000665366166 453669807 /nfs/dbraw/zinc/66/98/07/453669807.db2.gz SJPJKKBTSULTNI-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000458520113 447397543 /nfs/dbraw/zinc/39/75/43/447397543.db2.gz WPOXBKMPIRSJGX-ARFHVFGLSA-N 2 1 326.485 1.005 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1cscn1 ZINC000665639977 453778615 /nfs/dbraw/zinc/77/86/15/453778615.db2.gz KHLKXQQLOPGVNT-ZDUSSCGKSA-N 2 1 327.498 1.557 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1cscn1 ZINC000665639977 453778618 /nfs/dbraw/zinc/77/86/18/453778618.db2.gz KHLKXQQLOPGVNT-ZDUSSCGKSA-N 2 1 327.498 1.557 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000422233259 447414360 /nfs/dbraw/zinc/41/43/60/447414360.db2.gz CGPBMDMBPMPRCK-RDHHWEPZSA-N 2 1 338.496 1.221 20 0 EDADMP C[N@@H+](C[C@H]1CC12CC[NH+](CC(=O)NC1CCOCC1)CC2)C1CC1 ZINC000378355311 447419755 /nfs/dbraw/zinc/41/97/55/447419755.db2.gz OACCDLSIIMLGDD-OAHLLOKOSA-N 2 1 335.492 1.478 20 0 EDADMP CC[NH+](CC)CC1CCN(CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000047978333 441245769 /nfs/dbraw/zinc/24/57/69/441245769.db2.gz DROXAVKZIADPRW-UHFFFAOYSA-N 2 1 338.540 1.641 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000072828745 441263857 /nfs/dbraw/zinc/26/38/57/441263857.db2.gz QFTULMPCKMIPME-SFHVURJKSA-N 2 1 331.460 1.619 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000072828745 441263863 /nfs/dbraw/zinc/26/38/63/441263863.db2.gz QFTULMPCKMIPME-SFHVURJKSA-N 2 1 331.460 1.619 20 0 EDADMP Cc1cc(NC(=O)CC[NH+]2CCC(Cc3[nH+]ccn3C)CC2)no1 ZINC000105875808 441303550 /nfs/dbraw/zinc/30/35/50/441303550.db2.gz IXCPPRRTHLJHOS-UHFFFAOYSA-N 2 1 331.420 2.000 20 0 EDADMP C[NH+](C)CCC1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000064515329 441382518 /nfs/dbraw/zinc/38/25/18/441382518.db2.gz UATOGMSVFXGFDX-UHFFFAOYSA-N 2 1 336.524 1.393 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1)C(C)C ZINC000106556163 441355369 /nfs/dbraw/zinc/35/53/69/441355369.db2.gz OFCURFPKYFDFCX-KRWDZBQOSA-N 2 1 339.528 1.138 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CCCC1 ZINC000083720189 441370846 /nfs/dbraw/zinc/37/08/46/441370846.db2.gz KKRLBVFLWQOGPD-OAHLLOKOSA-N 2 1 336.484 1.406 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107835317 441431617 /nfs/dbraw/zinc/43/16/17/441431617.db2.gz BHHASEOASZGLBU-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085361763 441434237 /nfs/dbraw/zinc/43/42/37/441434237.db2.gz ZWVARZLUVNXROE-GJZGRUSLSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111838690 441542146 /nfs/dbraw/zinc/54/21/46/441542146.db2.gz BXPALNLFGPUWED-HZPDHXFCSA-N 2 1 340.512 1.110 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@@H]1CCCO1 ZINC000076298191 441624623 /nfs/dbraw/zinc/62/46/23/441624623.db2.gz QXQNJKZCYMFVSM-NEWSRXKRSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000076298191 441624626 /nfs/dbraw/zinc/62/46/26/441624626.db2.gz QXQNJKZCYMFVSM-NEWSRXKRSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CCCO1 ZINC000076298191 441624629 /nfs/dbraw/zinc/62/46/29/441624629.db2.gz QXQNJKZCYMFVSM-NEWSRXKRSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CCCO1 ZINC000076298191 441624631 /nfs/dbraw/zinc/62/46/31/441624631.db2.gz QXQNJKZCYMFVSM-NEWSRXKRSA-N 2 1 345.487 1.876 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCc3cnn(C)c3)CC2)CC1 ZINC000077284614 441746503 /nfs/dbraw/zinc/74/65/03/441746503.db2.gz VGTGWHXWWBCHAZ-UHFFFAOYSA-N 2 1 347.507 1.229 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000173624204 441807637 /nfs/dbraw/zinc/80/76/37/441807637.db2.gz HDXGPGYRVMNZKV-QGZVFWFLSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000077774334 441857597 /nfs/dbraw/zinc/85/75/97/441857597.db2.gz VUIGHPLDTFNYAL-SJORKVTESA-N 3 1 341.544 1.242 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000173936791 441864666 /nfs/dbraw/zinc/86/46/66/441864666.db2.gz DSKPAOBVEXLXAN-LJQANCHMSA-N 2 1 345.487 1.530 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCc1cccnc1 ZINC000173694903 441825603 /nfs/dbraw/zinc/82/56/03/441825603.db2.gz ZSCSPVWNIJFXNJ-GOSISDBHSA-N 2 1 347.507 1.682 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]2C(C)C)C1 ZINC000140475813 441839164 /nfs/dbraw/zinc/83/91/64/441839164.db2.gz QUFQBLAUDFPORX-IAGOWNOFSA-N 2 1 325.497 1.580 20 0 EDADMP CCNC(=O)c1cccc(NC(=O)CN(C)CCCn2ccnc2)c1 ZINC000124281181 441915030 /nfs/dbraw/zinc/91/50/30/441915030.db2.gz MFMNBEZPWPENKC-UHFFFAOYSA-N 2 1 343.431 1.593 20 0 EDADMP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000118106265 441886897 /nfs/dbraw/zinc/88/68/97/441886897.db2.gz AEISUTGPSQNVDH-QGZVFWFLSA-N 2 1 346.475 1.677 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000078031149 441896641 /nfs/dbraw/zinc/89/66/41/441896641.db2.gz UXPMARAOIDEBMM-KRWDZBQOSA-N 2 1 347.507 1.440 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000174182314 441900039 /nfs/dbraw/zinc/90/00/39/441900039.db2.gz GAAZOCKUACENII-INIZCTEOSA-N 2 1 342.447 1.859 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000174182314 441900045 /nfs/dbraw/zinc/90/00/45/441900045.db2.gz GAAZOCKUACENII-INIZCTEOSA-N 2 1 342.447 1.859 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cc2)C[C@H](C)O1 ZINC000125017160 441975528 /nfs/dbraw/zinc/97/55/28/441975528.db2.gz FPAQXISIMOTHPC-OAGGEKHMSA-N 2 1 331.460 1.730 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cc2)C[C@H](C)O1 ZINC000125017160 441975532 /nfs/dbraw/zinc/97/55/32/441975532.db2.gz FPAQXISIMOTHPC-OAGGEKHMSA-N 2 1 331.460 1.730 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1CCOCC1 ZINC000174487641 441930187 /nfs/dbraw/zinc/93/01/87/441930187.db2.gz YGUVEPLGVKXKID-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174718499 441957341 /nfs/dbraw/zinc/95/73/41/441957341.db2.gz VDOJHTBMFJLROI-FGTMMUONSA-N 2 1 338.540 1.449 20 0 EDADMP C[C@@H]1C[C@@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C[N@@H+]1C1CC1 ZINC000119932854 441978954 /nfs/dbraw/zinc/97/89/54/441978954.db2.gz PYAKSYCOYYOGMU-CRAIPNDOSA-N 2 1 344.503 1.693 20 0 EDADMP C[C@@H]1C[C@@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C[N@H+]1C1CC1 ZINC000119932854 441978962 /nfs/dbraw/zinc/97/89/62/441978962.db2.gz PYAKSYCOYYOGMU-CRAIPNDOSA-N 2 1 344.503 1.693 20 0 EDADMP CCN(C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000174728715 441961341 /nfs/dbraw/zinc/96/13/41/441961341.db2.gz OFUPBZPSJUREAF-UHFFFAOYSA-N 2 1 338.540 1.737 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000151048503 441996024 /nfs/dbraw/zinc/99/60/24/441996024.db2.gz SHYGBRZJWPLUKW-VQIMIIECSA-N 2 1 339.524 1.972 20 0 EDADMP CC[C@H](C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000125310670 442008806 /nfs/dbraw/zinc/00/88/06/442008806.db2.gz ZXIUCVNCEFUWRQ-SJLPKXTDSA-N 2 1 332.492 1.654 20 0 EDADMP CCC[C@H]1CN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC[N@H+]1CCOC ZINC000161704034 442025466 /nfs/dbraw/zinc/02/54/66/442025466.db2.gz QYYAPZWNNJZOHB-WBVHZDCISA-N 2 1 340.512 1.611 20 0 EDADMP CCC[C@H]1CN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC[NH+]1CCOC ZINC000161704034 442025470 /nfs/dbraw/zinc/02/54/70/442025470.db2.gz QYYAPZWNNJZOHB-WBVHZDCISA-N 2 1 340.512 1.611 20 0 EDADMP CCC[C@H]1CN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC[NH+]1CCOC ZINC000161704034 442025474 /nfs/dbraw/zinc/02/54/74/442025474.db2.gz QYYAPZWNNJZOHB-WBVHZDCISA-N 2 1 340.512 1.611 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000096420487 442122110 /nfs/dbraw/zinc/12/21/10/442122110.db2.gz BHFZRIMMHPEIDC-QRVBRYPASA-N 2 1 343.471 1.630 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000096420487 442122112 /nfs/dbraw/zinc/12/21/12/442122112.db2.gz BHFZRIMMHPEIDC-QRVBRYPASA-N 2 1 343.471 1.630 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096420487 442122113 /nfs/dbraw/zinc/12/21/13/442122113.db2.gz BHFZRIMMHPEIDC-QRVBRYPASA-N 2 1 343.471 1.630 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096420487 442122115 /nfs/dbraw/zinc/12/21/15/442122115.db2.gz BHFZRIMMHPEIDC-QRVBRYPASA-N 2 1 343.471 1.630 20 0 EDADMP C[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCN(C)CC1 ZINC000127328474 442193959 /nfs/dbraw/zinc/19/39/59/442193959.db2.gz RKLKTDPQFYPMCS-QZTJIDSGSA-N 2 1 348.535 1.914 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCS1 ZINC000127008818 442161534 /nfs/dbraw/zinc/16/15/34/442161534.db2.gz CEBVGICBLBZXHB-CVEARBPZSA-N 2 1 342.553 1.940 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000165807115 442211487 /nfs/dbraw/zinc/21/14/87/442211487.db2.gz DLGABJMDFSFOPT-KBXCAEBGSA-N 2 1 346.475 1.315 20 0 EDADMP CSCC[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000166432795 442216394 /nfs/dbraw/zinc/21/63/94/442216394.db2.gz KUPNFCJTNIMWLF-IJEWVQPXSA-N 2 1 343.537 1.415 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000170228010 442229521 /nfs/dbraw/zinc/22/95/21/442229521.db2.gz WAYORTBSLCLTAN-SFHVURJKSA-N 2 1 331.460 1.347 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000170228010 442229524 /nfs/dbraw/zinc/22/95/24/442229524.db2.gz WAYORTBSLCLTAN-SFHVURJKSA-N 2 1 331.460 1.347 20 0 EDADMP CC[NH+](CC)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000127901374 442232807 /nfs/dbraw/zinc/23/28/07/442232807.db2.gz LCATUCGKUJGFGO-HUUCEWRRSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000128510670 442270727 /nfs/dbraw/zinc/27/07/27/442270727.db2.gz HEFBHJMCUKJMKJ-ROUUACIJSA-N 2 1 344.503 1.798 20 0 EDADMP C[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000170978641 442295195 /nfs/dbraw/zinc/29/51/95/442295195.db2.gz AJCMKZOHJAMCOP-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000170978641 442295199 /nfs/dbraw/zinc/29/51/99/442295199.db2.gz AJCMKZOHJAMCOP-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC[NH+](C)C)C[N@H+]1C1CC1 ZINC000177096472 442295802 /nfs/dbraw/zinc/29/58/02/442295802.db2.gz AVWWXKAZWAEXSX-HUUCEWRRSA-N 2 1 331.460 1.982 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1C ZINC000153070073 442259491 /nfs/dbraw/zinc/25/94/91/442259491.db2.gz YODBPERFRXYYND-KGLIPLIRSA-N 2 1 326.462 1.541 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1C ZINC000153070073 442259493 /nfs/dbraw/zinc/25/94/93/442259493.db2.gz YODBPERFRXYYND-KGLIPLIRSA-N 2 1 326.462 1.541 20 0 EDADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154277924 442329703 /nfs/dbraw/zinc/32/97/03/442329703.db2.gz IWCPLWGDLCJBSP-VXGBXAGGSA-N 2 1 347.381 1.935 20 0 EDADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154336589 442333550 /nfs/dbraw/zinc/33/35/50/442333550.db2.gz MQWAMRIZLQJQQQ-DGCLKSJQSA-N 2 1 343.855 1.578 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000177534518 442354435 /nfs/dbraw/zinc/35/44/35/442354435.db2.gz WUIDNBTZQFHNIN-FGTMMUONSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000177534518 442354437 /nfs/dbraw/zinc/35/44/37/442354437.db2.gz WUIDNBTZQFHNIN-FGTMMUONSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCN2CCOCC2(C)C)C1 ZINC000171686964 442370340 /nfs/dbraw/zinc/37/03/40/442370340.db2.gz LOOCMZRANMROGR-MRXNPFEDSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)CC[N@@H+]1C ZINC000177768408 442382324 /nfs/dbraw/zinc/38/23/24/442382324.db2.gz LSZSSBGLIAKZMC-GOEBONIOSA-N 2 1 325.478 1.178 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)CC[N@H+]1C ZINC000177768408 442382328 /nfs/dbraw/zinc/38/23/28/442382328.db2.gz LSZSSBGLIAKZMC-GOEBONIOSA-N 2 1 325.478 1.178 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000177875429 442393098 /nfs/dbraw/zinc/39/30/98/442393098.db2.gz FDKHLXUHWBBMSL-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000177875429 442393101 /nfs/dbraw/zinc/39/31/01/442393101.db2.gz FDKHLXUHWBBMSL-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000177875429 442393104 /nfs/dbraw/zinc/39/31/04/442393104.db2.gz FDKHLXUHWBBMSL-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000155704466 442420810 /nfs/dbraw/zinc/42/08/10/442420810.db2.gz PHSQELVQANJZCV-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000155704466 442420812 /nfs/dbraw/zinc/42/08/12/442420812.db2.gz PHSQELVQANJZCV-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000178336095 442425602 /nfs/dbraw/zinc/42/56/02/442425602.db2.gz CGQVSWUITYBVJO-LJQANCHMSA-N 2 1 344.503 1.262 20 0 EDADMP C[C@@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000172365682 442450462 /nfs/dbraw/zinc/45/04/62/442450462.db2.gz POQRSTDRGRVPKH-BBWFWOEESA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCS[C@@H]3COCC[C@@H]32)CC1 ZINC000191554064 442463568 /nfs/dbraw/zinc/46/35/68/442463568.db2.gz UEBFXSWMMUSVLY-DLBZAZTESA-N 2 1 327.538 1.609 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000186126436 442467763 /nfs/dbraw/zinc/46/77/63/442467763.db2.gz OVCPJPUYZNDMPN-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CN(CC(=O)N1CC[NH+](C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180586291 442628525 /nfs/dbraw/zinc/62/85/25/442628525.db2.gz HZELERVLKAIGAT-UHFFFAOYSA-N 2 1 344.503 1.357 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCN(C(=O)C3CC3)CC2)CC1 ZINC000192838404 442691443 /nfs/dbraw/zinc/69/14/43/442691443.db2.gz HKKVFOMRIGCUTK-UHFFFAOYSA-N 2 1 336.524 1.347 20 0 EDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)CC[C@@H](C)[NH3+] ZINC000193305861 442731524 /nfs/dbraw/zinc/73/15/24/442731524.db2.gz DUUIJZZAGGSICM-CYBMUJFWSA-N 2 1 348.447 1.149 20 0 EDADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000182059437 442732557 /nfs/dbraw/zinc/73/25/57/442732557.db2.gz SFLUULNDBXTAPU-AWEZNQCLSA-N 2 1 332.448 1.460 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000246567579 442792931 /nfs/dbraw/zinc/79/29/31/442792931.db2.gz UTIFASPTFVLITL-HZPDHXFCSA-N 2 1 347.459 1.536 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000246567579 442792936 /nfs/dbraw/zinc/79/29/36/442792936.db2.gz UTIFASPTFVLITL-HZPDHXFCSA-N 2 1 347.459 1.536 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCC=CO3)CC2)CC1 ZINC000193889680 442805841 /nfs/dbraw/zinc/80/58/41/442805841.db2.gz IDGNPAQVXWIWSM-SFHVURJKSA-N 2 1 335.492 1.945 20 0 EDADMP C[C@H](C(=O)N(C)C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246723617 442806916 /nfs/dbraw/zinc/80/69/16/442806916.db2.gz UWKCZSHDBTZWQD-OWCLPIDISA-N 2 1 325.497 1.674 20 0 EDADMP CN(CC(F)(F)F)C(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246420636 442780375 /nfs/dbraw/zinc/78/03/75/442780375.db2.gz CAQQQQCJTCIZSE-JSGCOSHPSA-N 2 1 333.398 1.956 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC3CC[NH+](C4CC4)CC3)cc2C1 ZINC000193914999 442811239 /nfs/dbraw/zinc/81/12/39/442811239.db2.gz XUZNMKVHNKUTEA-UHFFFAOYSA-N 2 1 342.443 1.314 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NC3CC[NH+](C4CC4)CC3)cc2C1 ZINC000193914999 442811241 /nfs/dbraw/zinc/81/12/41/442811241.db2.gz XUZNMKVHNKUTEA-UHFFFAOYSA-N 2 1 342.443 1.314 20 0 EDADMP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000268089422 442842993 /nfs/dbraw/zinc/84/29/93/442842993.db2.gz FYHDETDHMRTIDM-MOPGFXCFSA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000268089422 442842999 /nfs/dbraw/zinc/84/29/99/442842999.db2.gz FYHDETDHMRTIDM-MOPGFXCFSA-N 2 1 345.487 1.830 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCC[C@H]3C[NH+](C)C)cc2)CC1 ZINC000268092473 442843951 /nfs/dbraw/zinc/84/39/51/442843951.db2.gz GPBSDJXSADGRQI-IBGZPJMESA-N 2 1 344.503 1.600 20 0 EDADMP CCS(=O)(=O)C[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000183082546 442876101 /nfs/dbraw/zinc/87/61/01/442876101.db2.gz VOKNRDHHBPILBT-ZDUSSCGKSA-N 2 1 340.493 1.475 20 0 EDADMP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182963424 442855489 /nfs/dbraw/zinc/85/54/89/442855489.db2.gz NEQKBDGDEASTKC-ROUUACIJSA-N 2 1 338.540 1.593 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)C1(C)C ZINC000249058276 442947284 /nfs/dbraw/zinc/94/72/84/442947284.db2.gz FLEHTUHDJDDREW-BORJPKMPSA-N 2 1 325.497 1.756 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000195021797 442976924 /nfs/dbraw/zinc/97/69/24/442976924.db2.gz ONQOWOPWSJCTEH-XHSDSOJGSA-N 2 1 342.528 1.713 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000195021797 442976927 /nfs/dbraw/zinc/97/69/27/442976927.db2.gz ONQOWOPWSJCTEH-XHSDSOJGSA-N 2 1 342.528 1.713 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(SC)CC1 ZINC000195131187 442987785 /nfs/dbraw/zinc/98/77/85/442987785.db2.gz KPLDHAFMZBHQGP-HNNXBMFYSA-N 2 1 342.553 1.940 20 0 EDADMP CC[NH+]1CCN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000265867884 442951459 /nfs/dbraw/zinc/95/14/59/442951459.db2.gz YFKXUOMDPGHUDE-SFHVURJKSA-N 2 1 331.460 1.442 20 0 EDADMP CC[C@]1(CO)CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000251911659 443019339 /nfs/dbraw/zinc/01/93/39/443019339.db2.gz RTXVETITGJTXCS-IEBWSBKVSA-N 2 1 333.476 1.642 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCCNS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000268752419 443097713 /nfs/dbraw/zinc/09/77/13/443097713.db2.gz KDICLWIYLIXQQG-WBVHZDCISA-N 2 1 339.505 1.568 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCCNS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000268752419 443097716 /nfs/dbraw/zinc/09/77/16/443097716.db2.gz KDICLWIYLIXQQG-WBVHZDCISA-N 2 1 339.505 1.568 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3C[C@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC000185111491 443140025 /nfs/dbraw/zinc/14/00/25/443140025.db2.gz MGYDDDWGDMGLFR-GUDVDZBRSA-N 2 1 342.487 1.243 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000268793264 443110222 /nfs/dbraw/zinc/11/02/22/443110222.db2.gz FDCKBHRFYCMDST-FUHWJXTLSA-N 2 1 345.487 1.769 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000268794362 443110975 /nfs/dbraw/zinc/11/09/75/443110975.db2.gz FDCKBHRFYCMDST-SJLPKXTDSA-N 2 1 345.487 1.769 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237469829 443172418 /nfs/dbraw/zinc/17/24/18/443172418.db2.gz PGWQYTNTEYYRDD-KGLIPLIRSA-N 2 1 334.468 1.053 20 0 EDADMP C[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000262102828 443182912 /nfs/dbraw/zinc/18/29/12/443182912.db2.gz SZJOMKMCYYKQJM-BQFCYCMXSA-N 2 1 339.524 1.968 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000185404104 443194556 /nfs/dbraw/zinc/19/45/56/443194556.db2.gz UPFVQFNRYDUTKQ-IAGOWNOFSA-N 2 1 340.512 1.661 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000236836955 443149879 /nfs/dbraw/zinc/14/98/79/443149879.db2.gz XIAAZMAJCUZBNL-ROUUACIJSA-N 2 1 332.492 1.609 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H](C)C[NH2+]C)cc2)CC1 ZINC000236868719 443150828 /nfs/dbraw/zinc/15/08/28/443150828.db2.gz MIPHCMMPNIUCDN-HNNXBMFYSA-N 2 1 346.475 1.187 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000268936151 443152698 /nfs/dbraw/zinc/15/26/98/443152698.db2.gz YQXQGWDWPZFIIZ-LZQZEXGQSA-N 2 1 328.460 1.954 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2F)CC1 ZINC000236994252 443154574 /nfs/dbraw/zinc/15/45/74/443154574.db2.gz CQNQTQXMLNEMQU-AWEZNQCLSA-N 2 1 334.439 1.402 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)[C@@H](C)C1 ZINC000245419471 443226577 /nfs/dbraw/zinc/22/65/77/443226577.db2.gz HAIMSQPEDLRRGY-YOEHRIQHSA-N 2 1 346.475 1.776 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCOC1 ZINC000245663081 443243088 /nfs/dbraw/zinc/24/30/88/443243088.db2.gz DJOCBPLOAOVPIZ-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)[C@H](C)C1 ZINC000262758468 443210541 /nfs/dbraw/zinc/21/05/41/443210541.db2.gz ICLLMPJZLVWGHU-PMPSAXMXSA-N 2 1 343.537 1.335 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](CO)CC(C)(C)C)CC1 ZINC000411785731 319203862 /nfs/dbraw/zinc/20/38/62/319203862.db2.gz BNRYZDDROBYRML-MRXNPFEDSA-N 2 1 327.513 1.704 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000269265420 443258190 /nfs/dbraw/zinc/25/81/90/443258190.db2.gz ORRDKEVYGXHTCH-NJAFHUGGSA-N 2 1 331.460 1.534 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000414666914 319338260 /nfs/dbraw/zinc/33/82/60/319338260.db2.gz XBQPFYXJYJUQJF-OAHLLOKOSA-N 2 1 344.415 1.357 20 0 EDADMP Cc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414679066 319340500 /nfs/dbraw/zinc/34/05/00/319340500.db2.gz ZFNZBSNKONOBDE-HNNXBMFYSA-N 2 1 332.448 1.063 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)NCC[NH+]1CCSCC1 ZINC000416155091 319393010 /nfs/dbraw/zinc/39/30/10/319393010.db2.gz CHVCPSYDAQXYMN-UHFFFAOYSA-N 2 1 333.501 1.600 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)C[NH+](C)[C@H]2CCSC2)C[C@H](C)O1 ZINC000245994660 443261442 /nfs/dbraw/zinc/26/14/42/443261442.db2.gz XLVXKIPSXUPCLB-ZNMIVQPWSA-N 2 1 329.510 1.039 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)C[N@H+](C)[C@H]2CCSC2)C[C@H](C)O1 ZINC000245994660 443261446 /nfs/dbraw/zinc/26/14/46/443261446.db2.gz XLVXKIPSXUPCLB-ZNMIVQPWSA-N 2 1 329.510 1.039 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)C[N@@H+](C)[C@H]2CCSC2)C[C@H](C)O1 ZINC000245994660 443261447 /nfs/dbraw/zinc/26/14/47/443261447.db2.gz XLVXKIPSXUPCLB-ZNMIVQPWSA-N 2 1 329.510 1.039 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(C[NH+](C)C)cc2)CCCO1 ZINC000278420310 443324988 /nfs/dbraw/zinc/32/49/88/443324988.db2.gz GCTZMRHXFSBSOU-MRXNPFEDSA-N 2 1 333.476 1.979 20 0 EDADMP CN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000267089013 443338358 /nfs/dbraw/zinc/33/83/58/443338358.db2.gz UHXWRWBBOQRKPG-GOSISDBHSA-N 2 1 332.492 1.754 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCN2CCOC[C@@H]2C)CC1 ZINC000191467393 443298151 /nfs/dbraw/zinc/29/81/51/443298151.db2.gz NKNFITXVQDEXHE-OTWHNJEPSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCN2CCOC[C@@H]2C)CC1 ZINC000191467393 443298153 /nfs/dbraw/zinc/29/81/53/443298153.db2.gz NKNFITXVQDEXHE-OTWHNJEPSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCN2CCOC[C@@H]2C)CC1 ZINC000191467393 443298158 /nfs/dbraw/zinc/29/81/58/443298158.db2.gz NKNFITXVQDEXHE-OTWHNJEPSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC[NH+]2CCOC[C@@H]2C)CC1 ZINC000191467393 443298161 /nfs/dbraw/zinc/29/81/61/443298161.db2.gz NKNFITXVQDEXHE-OTWHNJEPSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC[NH+]2CCOC[C@@H]2C)CC1 ZINC000191467393 443298165 /nfs/dbraw/zinc/29/81/65/443298165.db2.gz NKNFITXVQDEXHE-OTWHNJEPSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000191467393 443298168 /nfs/dbraw/zinc/29/81/68/443298168.db2.gz NKNFITXVQDEXHE-OTWHNJEPSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000191467393 443298173 /nfs/dbraw/zinc/29/81/73/443298173.db2.gz NKNFITXVQDEXHE-OTWHNJEPSA-N 2 1 338.540 1.198 20 0 EDADMP C[N@H+](CCNC(=O)NCC[NH+]1CCSCC1)Cc1ccccc1 ZINC000264831522 443444324 /nfs/dbraw/zinc/44/43/24/443444324.db2.gz IRRGTYXZINAYKR-UHFFFAOYSA-N 2 1 336.505 1.466 20 0 EDADMP C[N@@H+](CCNC(=O)NCC[NH+]1CCSCC1)Cc1ccccc1 ZINC000264831522 443444327 /nfs/dbraw/zinc/44/43/27/443444327.db2.gz IRRGTYXZINAYKR-UHFFFAOYSA-N 2 1 336.505 1.466 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000267418627 443450545 /nfs/dbraw/zinc/45/05/45/443450545.db2.gz LJAYTGDMYALUJZ-NJAFHUGGSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000267418627 443450547 /nfs/dbraw/zinc/45/05/47/443450547.db2.gz LJAYTGDMYALUJZ-NJAFHUGGSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000267418627 443450548 /nfs/dbraw/zinc/45/05/48/443450548.db2.gz LJAYTGDMYALUJZ-NJAFHUGGSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000267418627 443450549 /nfs/dbraw/zinc/45/05/49/443450549.db2.gz LJAYTGDMYALUJZ-NJAFHUGGSA-N 2 1 331.460 1.344 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)nc(C)[nH+]1 ZINC000279021211 443492349 /nfs/dbraw/zinc/49/23/49/443492349.db2.gz IOOPKVQRXKOXAP-QGZVFWFLSA-N 2 1 343.475 1.805 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)nc(C)[nH+]1 ZINC000279021211 443492353 /nfs/dbraw/zinc/49/23/53/443492353.db2.gz IOOPKVQRXKOXAP-QGZVFWFLSA-N 2 1 343.475 1.805 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000265030736 443512889 /nfs/dbraw/zinc/51/28/89/443512889.db2.gz OYJMXWAFMJMMBM-UHFFFAOYSA-N 2 1 344.459 1.383 20 0 EDADMP O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286137621 443653718 /nfs/dbraw/zinc/65/37/18/443653718.db2.gz ZFPIFJDJEYTICQ-CVEARBPZSA-N 2 1 339.399 1.147 20 0 EDADMP O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286137621 443653725 /nfs/dbraw/zinc/65/37/25/443653725.db2.gz ZFPIFJDJEYTICQ-CVEARBPZSA-N 2 1 339.399 1.147 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435437945 320017918 /nfs/dbraw/zinc/01/79/18/320017918.db2.gz NECULQNHIRIWPJ-INIZCTEOSA-N 2 1 349.475 1.784 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000457140353 320320442 /nfs/dbraw/zinc/32/04/42/320320442.db2.gz YNQQNQWPUMGESQ-KRWDZBQOSA-N 2 1 345.491 1.388 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000457140353 320320443 /nfs/dbraw/zinc/32/04/43/320320443.db2.gz YNQQNQWPUMGESQ-KRWDZBQOSA-N 2 1 345.491 1.388 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000457631306 320332072 /nfs/dbraw/zinc/33/20/72/320332072.db2.gz DGRVHFJLWQNAJE-QGZVFWFLSA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000457631306 320332073 /nfs/dbraw/zinc/33/20/73/320332073.db2.gz DGRVHFJLWQNAJE-QGZVFWFLSA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000457631306 320332074 /nfs/dbraw/zinc/33/20/74/320332074.db2.gz DGRVHFJLWQNAJE-QGZVFWFLSA-N 2 1 339.528 1.137 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459365457 320347496 /nfs/dbraw/zinc/34/74/96/320347496.db2.gz ANWCWBLWKBWOJU-UHFFFAOYSA-N 2 1 334.464 1.458 20 0 EDADMP COc1cc(CNC(=O)C[NH+]2CC(C)(C)C2)ccc1OCC[NH+](C)C ZINC000516191105 320434127 /nfs/dbraw/zinc/43/41/27/320434127.db2.gz ADFDOQWSDRMYCF-UHFFFAOYSA-N 2 1 349.475 1.594 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000518734027 320459684 /nfs/dbraw/zinc/45/96/84/320459684.db2.gz RNVICKFCKQFCNN-QGZVFWFLSA-N 2 1 331.464 1.612 20 0 EDADMP C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243269 320617220 /nfs/dbraw/zinc/61/72/20/320617220.db2.gz WJYQIIYMVZVPJE-AAEUAGOBSA-N 2 1 337.386 1.144 20 0 EDADMP C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000288661320 443948461 /nfs/dbraw/zinc/94/84/61/443948461.db2.gz YSMCNHKACWLJBQ-SJLPKXTDSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000288661320 443948465 /nfs/dbraw/zinc/94/84/65/443948465.db2.gz YSMCNHKACWLJBQ-SJLPKXTDSA-N 2 1 333.476 1.470 20 0 EDADMP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CCCC1 ZINC000299086057 443949583 /nfs/dbraw/zinc/94/95/83/443949583.db2.gz CQSWPEFBXUCQBG-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CCCC1 ZINC000299086057 443949588 /nfs/dbraw/zinc/94/95/88/443949588.db2.gz CQSWPEFBXUCQBG-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP CNC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000299188970 443978217 /nfs/dbraw/zinc/97/82/17/443978217.db2.gz CIYGTVSJKVVRHM-GDBMZVCRSA-N 2 1 332.448 1.332 20 0 EDADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@@H](C)CO ZINC000293495649 444034046 /nfs/dbraw/zinc/03/40/46/444034046.db2.gz UAMHINZPDXHCNJ-SFHVURJKSA-N 2 1 347.503 1.732 20 0 EDADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@@H](C)CO ZINC000293495649 444034047 /nfs/dbraw/zinc/03/40/47/444034047.db2.gz UAMHINZPDXHCNJ-SFHVURJKSA-N 2 1 347.503 1.732 20 0 EDADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@@H](C)CO ZINC000293495649 444034049 /nfs/dbraw/zinc/03/40/49/444034049.db2.gz UAMHINZPDXHCNJ-SFHVURJKSA-N 2 1 347.503 1.732 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)CCc2ncc[nH]2)[C@@H]1c1ccccc1 ZINC000285591714 444040120 /nfs/dbraw/zinc/04/01/20/444040120.db2.gz TXDQOTXOGGDTID-LPHOPBHVSA-N 2 1 342.443 1.921 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)CCc2ncc[nH]2)[C@@H]1c1ccccc1 ZINC000285591714 444040123 /nfs/dbraw/zinc/04/01/23/444040123.db2.gz TXDQOTXOGGDTID-LPHOPBHVSA-N 2 1 342.443 1.921 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000285540683 444022739 /nfs/dbraw/zinc/02/27/39/444022739.db2.gz BVMSXQOGFSMESB-HZPDHXFCSA-N 2 1 348.491 1.080 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ncnn2-c2ccccc2)CC1 ZINC000281989862 444056099 /nfs/dbraw/zinc/05/60/99/444056099.db2.gz MRFCXZUUBOEITI-INIZCTEOSA-N 2 1 343.475 1.792 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncnn2-c2ccccc2)CC1 ZINC000281989862 444056100 /nfs/dbraw/zinc/05/61/00/444056100.db2.gz MRFCXZUUBOEITI-INIZCTEOSA-N 2 1 343.475 1.792 20 0 EDADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NCc1ccc2c(c1)OCO2 ZINC000561278754 321038303 /nfs/dbraw/zinc/03/83/03/321038303.db2.gz SHZSLVGALNYHOC-JKSUJKDBSA-N 2 1 345.443 1.496 20 0 EDADMP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NCc1ccc2c(c1)OCO2 ZINC000561278754 321038305 /nfs/dbraw/zinc/03/83/05/321038305.db2.gz SHZSLVGALNYHOC-JKSUJKDBSA-N 2 1 345.443 1.496 20 0 EDADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000561412519 321040411 /nfs/dbraw/zinc/04/04/11/321040411.db2.gz KNOFGFFRNMWKOV-WRSVWVKZSA-N 2 1 336.480 1.607 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000561412519 321040413 /nfs/dbraw/zinc/04/04/13/321040413.db2.gz KNOFGFFRNMWKOV-WRSVWVKZSA-N 2 1 336.480 1.607 20 0 EDADMP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000562365076 321053947 /nfs/dbraw/zinc/05/39/47/321053947.db2.gz HCSGEVPKPOXMSX-IAGOWNOFSA-N 2 1 331.460 1.400 20 0 EDADMP COC[C@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000562521575 321060713 /nfs/dbraw/zinc/06/07/13/321060713.db2.gz LTLHXYXCKJLSDQ-SJLPKXTDSA-N 2 1 325.497 1.535 20 0 EDADMP COC[C@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000562521575 321060711 /nfs/dbraw/zinc/06/07/11/321060711.db2.gz LTLHXYXCKJLSDQ-SJLPKXTDSA-N 2 1 325.497 1.535 20 0 EDADMP COC[C@H](C)C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000562521575 321060715 /nfs/dbraw/zinc/06/07/15/321060715.db2.gz LTLHXYXCKJLSDQ-SJLPKXTDSA-N 2 1 325.497 1.535 20 0 EDADMP COC[C@H](C)C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000562521575 321060716 /nfs/dbraw/zinc/06/07/16/321060716.db2.gz LTLHXYXCKJLSDQ-SJLPKXTDSA-N 2 1 325.497 1.535 20 0 EDADMP C[C@H]1CN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@@H+]1CCO ZINC000562772874 321076070 /nfs/dbraw/zinc/07/60/70/321076070.db2.gz ATOIBPLCKADVLM-LBPRGKRZSA-N 2 1 336.411 1.002 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC[N@H+]1CCOC ZINC000562817424 321078577 /nfs/dbraw/zinc/07/85/77/321078577.db2.gz QTEFNTDLIYTUMJ-ARFHVFGLSA-N 2 1 326.485 1.127 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC[N@H+]1CCOC ZINC000562817427 321078645 /nfs/dbraw/zinc/07/86/45/321078645.db2.gz QTEFNTDLIYTUMJ-XHSDSOJGSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](CNC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000562987217 321085441 /nfs/dbraw/zinc/08/54/41/321085441.db2.gz QXJUMZSVMXJOEF-ZJPYXAASSA-N 2 1 327.513 1.167 20 0 EDADMP C[C@H](CNC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000562987217 321085442 /nfs/dbraw/zinc/08/54/42/321085442.db2.gz QXJUMZSVMXJOEF-ZJPYXAASSA-N 2 1 327.513 1.167 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[NH2+][C@@H]3C)CC2)oc1C ZINC000563069445 321092642 /nfs/dbraw/zinc/09/26/42/321092642.db2.gz BUOYARFUFDLCNZ-CZUORRHYSA-N 2 1 334.464 1.618 20 0 EDADMP CC(C)n1ccnc1CN1CCC[N@@H+](C[C@@H]2CCCNC2=O)CC1 ZINC000564421800 321130287 /nfs/dbraw/zinc/13/02/87/321130287.db2.gz OIALQPCBOPAAGO-INIZCTEOSA-N 2 1 333.480 1.498 20 0 EDADMP C[NH+](C)CCCCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000564517970 321135603 /nfs/dbraw/zinc/13/56/03/321135603.db2.gz TVZHZXZHMXHTJG-UHFFFAOYSA-N 2 1 346.475 1.745 20 0 EDADMP COC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000564822929 321149998 /nfs/dbraw/zinc/14/99/98/321149998.db2.gz VJLXRUGCKSXANN-CQSZACIVSA-N 2 1 345.365 1.414 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000564956957 321160311 /nfs/dbraw/zinc/16/03/11/321160311.db2.gz VSTGJBLLZCVNBA-ZIFCJYIRSA-N 2 1 337.508 1.996 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000565607933 321193862 /nfs/dbraw/zinc/19/38/62/321193862.db2.gz KNIZNNXOTYDCRR-AWEZNQCLSA-N 2 1 338.452 1.093 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)CC1 ZINC000566429600 321230265 /nfs/dbraw/zinc/23/02/65/321230265.db2.gz XFPUXWIQTQKJBN-MRXNPFEDSA-N 2 1 330.476 1.780 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)CC1 ZINC000566429600 321230266 /nfs/dbraw/zinc/23/02/66/321230266.db2.gz XFPUXWIQTQKJBN-MRXNPFEDSA-N 2 1 330.476 1.780 20 0 EDADMP C[NH+]1CCC(CCO)([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000568295358 321287195 /nfs/dbraw/zinc/28/71/95/321287195.db2.gz ZLWSPCYKHQKXNE-UHFFFAOYSA-N 2 1 342.487 1.963 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1)c1ccccc1 ZINC000568392669 321289520 /nfs/dbraw/zinc/28/95/20/321289520.db2.gz VCSUAMJCBXEJCQ-SFHVURJKSA-N 2 1 330.476 1.176 20 0 EDADMP [NH3+]C1(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000568624563 321299708 /nfs/dbraw/zinc/29/97/08/321299708.db2.gz PDEKZWPOXJUZTH-UHFFFAOYSA-N 2 1 344.503 1.582 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C1 ZINC000569471268 321326430 /nfs/dbraw/zinc/32/64/30/321326430.db2.gz SBEICJJHHDPTEQ-HNNXBMFYSA-N 2 1 331.460 1.924 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)[NH+]1CCOCC1 ZINC000570546797 321347026 /nfs/dbraw/zinc/34/70/26/321347026.db2.gz FGIOHRSTTHCTES-GVDBMIGSSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000571031744 321368508 /nfs/dbraw/zinc/36/85/08/321368508.db2.gz WSJJCGNOIKIIEX-ZSNVMCELSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000571031744 321368510 /nfs/dbraw/zinc/36/85/10/321368510.db2.gz WSJJCGNOIKIIEX-ZSNVMCELSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000571031744 321368512 /nfs/dbraw/zinc/36/85/12/321368512.db2.gz WSJJCGNOIKIIEX-ZSNVMCELSA-N 2 1 338.496 1.098 20 0 EDADMP c1cnn(CC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000285910960 444150282 /nfs/dbraw/zinc/15/02/82/444150282.db2.gz KTVZYBAGWNTABU-HXUWFJFHSA-N 2 1 339.487 1.775 20 0 EDADMP c1cnn(CC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000285910960 444150288 /nfs/dbraw/zinc/15/02/88/444150288.db2.gz KTVZYBAGWNTABU-HXUWFJFHSA-N 2 1 339.487 1.775 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289651194 444186369 /nfs/dbraw/zinc/18/63/69/444186369.db2.gz IFEDQUQTWTVFBT-INIZCTEOSA-N 2 1 334.445 1.506 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000296960487 444265314 /nfs/dbraw/zinc/26/53/14/444265314.db2.gz CXVLCCPMAQOWBX-UHFFFAOYSA-N 2 1 342.443 1.981 20 0 EDADMP C[N@@H+]1CCN(CCN[C@@H](c2nnc[nH]2)c2ccccc2)CC1(C)C ZINC000290517589 444290542 /nfs/dbraw/zinc/29/05/42/444290542.db2.gz YSVISXRZKACFBV-MRXNPFEDSA-N 2 1 328.464 1.510 20 0 EDADMP C[N@H+]1CCN(CCN[C@@H](c2nnc[nH]2)c2ccccc2)CC1(C)C ZINC000290517589 444290543 /nfs/dbraw/zinc/29/05/43/444290543.db2.gz YSVISXRZKACFBV-MRXNPFEDSA-N 2 1 328.464 1.510 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000337692475 444355765 /nfs/dbraw/zinc/35/57/65/444355765.db2.gz VSKYLTGQIAPNAZ-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000337692475 444355769 /nfs/dbraw/zinc/35/57/69/444355769.db2.gz VSKYLTGQIAPNAZ-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000337692475 444355774 /nfs/dbraw/zinc/35/57/74/444355774.db2.gz VSKYLTGQIAPNAZ-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)[C@H](CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000325244067 444363492 /nfs/dbraw/zinc/36/34/92/444363492.db2.gz YLZPLCWDABAYMZ-KURKYZTESA-N 2 1 338.540 1.400 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000327526546 444383434 /nfs/dbraw/zinc/38/34/34/444383434.db2.gz IYDJLHOLWFEYOR-NEWSRXKRSA-N 2 1 346.519 1.711 20 0 EDADMP C[C@@H](CO)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC1CCC1 ZINC000340562109 444439719 /nfs/dbraw/zinc/43/97/19/444439719.db2.gz VKRLPMNLWGYXHM-HNNXBMFYSA-N 2 1 333.480 1.211 20 0 EDADMP C[C@@H](CO)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC1CCC1 ZINC000340562109 444439720 /nfs/dbraw/zinc/43/97/20/444439720.db2.gz VKRLPMNLWGYXHM-HNNXBMFYSA-N 2 1 333.480 1.211 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC[N@@H+]1C ZINC000329003092 444441336 /nfs/dbraw/zinc/44/13/36/444441336.db2.gz HJQQOHBONXLORR-NPNMTCQASA-N 2 1 345.491 1.687 20 0 EDADMP C[C@@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)N1CC[NH+](C)CC1 ZINC000338054675 444501546 /nfs/dbraw/zinc/50/15/46/444501546.db2.gz LWJDTZYVXCRDHI-KRWDZBQOSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@H](Cc1cnn(C)c1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000580877664 322106424 /nfs/dbraw/zinc/10/64/24/322106424.db2.gz GRYCJUDDKNTCIT-CQSZACIVSA-N 2 1 342.447 1.384 20 0 EDADMP C[C@H]1CC2(C[N@H+]1Cc1cn(Cc3cccnc3)nn1)CC[NH2+]CC2 ZINC000581423910 322175350 /nfs/dbraw/zinc/17/53/50/322175350.db2.gz XOIPVZPZILKUHT-HNNXBMFYSA-N 2 1 326.448 1.685 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000581545054 322190193 /nfs/dbraw/zinc/19/01/93/322190193.db2.gz YNQRMTJJXBRGAC-UKRRQHHQSA-N 2 1 336.505 1.293 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000340830787 444532263 /nfs/dbraw/zinc/53/22/63/444532263.db2.gz ZZDROTPJWAEEHY-INIZCTEOSA-N 2 1 328.501 1.184 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000340992585 444620172 /nfs/dbraw/zinc/62/01/72/444620172.db2.gz LAQVWUNSXSHEBF-QGZVFWFLSA-N 2 1 339.528 1.045 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)CC[N@H+]1CCOC ZINC000342352517 444648670 /nfs/dbraw/zinc/64/86/70/444648670.db2.gz XNAFIIFNBZJIMF-BFYDXBDKSA-N 2 1 338.496 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC[NH+]1CCOC ZINC000342352517 444648675 /nfs/dbraw/zinc/64/86/75/444648675.db2.gz XNAFIIFNBZJIMF-BFYDXBDKSA-N 2 1 338.496 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC[NH+]1CCOC ZINC000342352517 444648678 /nfs/dbraw/zinc/64/86/78/444648678.db2.gz XNAFIIFNBZJIMF-BFYDXBDKSA-N 2 1 338.496 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)CC[N@H+]1CCOC ZINC000342352519 444648908 /nfs/dbraw/zinc/64/89/08/444648908.db2.gz XNAFIIFNBZJIMF-UXLLHSPISA-N 2 1 338.496 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC[NH+]1CCOC ZINC000342352519 444648910 /nfs/dbraw/zinc/64/89/10/444648910.db2.gz XNAFIIFNBZJIMF-UXLLHSPISA-N 2 1 338.496 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC[NH+]1CCOC ZINC000342352519 444648912 /nfs/dbraw/zinc/64/89/12/444648912.db2.gz XNAFIIFNBZJIMF-UXLLHSPISA-N 2 1 338.496 1.221 20 0 EDADMP COC(=O)[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000343934648 444679254 /nfs/dbraw/zinc/67/92/54/444679254.db2.gz HYTQIDPDVZTIRF-LPHOPBHVSA-N 2 1 334.460 1.801 20 0 EDADMP COC(=O)[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000343934648 444679256 /nfs/dbraw/zinc/67/92/56/444679256.db2.gz HYTQIDPDVZTIRF-LPHOPBHVSA-N 2 1 334.460 1.801 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC000343868873 444636635 /nfs/dbraw/zinc/63/66/35/444636635.db2.gz HBHHERUJMHRBBJ-HNNXBMFYSA-N 2 1 342.528 1.314 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC000343868873 444636641 /nfs/dbraw/zinc/63/66/41/444636641.db2.gz HBHHERUJMHRBBJ-HNNXBMFYSA-N 2 1 342.528 1.314 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC000343868873 444636643 /nfs/dbraw/zinc/63/66/43/444636643.db2.gz HBHHERUJMHRBBJ-HNNXBMFYSA-N 2 1 342.528 1.314 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343973810 444702634 /nfs/dbraw/zinc/70/26/34/444702634.db2.gz GYXFBBGFSXMNAN-MISYRCLQSA-N 2 1 331.504 1.548 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccnc(N(C)C)n3)CC2)C[C@H](C)O1 ZINC000341190701 444719287 /nfs/dbraw/zinc/71/92/87/444719287.db2.gz QSHCAVHISJGJKF-IYBDPMFKSA-N 2 1 347.507 1.864 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccnc(N(C)C)n3)CC2)C[C@H](C)O1 ZINC000341190701 444719292 /nfs/dbraw/zinc/71/92/92/444719292.db2.gz QSHCAVHISJGJKF-IYBDPMFKSA-N 2 1 347.507 1.864 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341199320 444724603 /nfs/dbraw/zinc/72/46/03/444724603.db2.gz KCEMMDLANOIXCL-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000341207541 444729705 /nfs/dbraw/zinc/72/97/05/444729705.db2.gz BLRLRQXOPPOMIC-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000341207541 444729709 /nfs/dbraw/zinc/72/97/09/444729709.db2.gz BLRLRQXOPPOMIC-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000341136833 444692907 /nfs/dbraw/zinc/69/29/07/444692907.db2.gz XDDHGKRXSXLBIZ-OAHLLOKOSA-N 2 1 328.526 1.409 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000341136833 444692908 /nfs/dbraw/zinc/69/29/08/444692908.db2.gz XDDHGKRXSXLBIZ-OAHLLOKOSA-N 2 1 328.526 1.409 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000342692744 444817519 /nfs/dbraw/zinc/81/75/19/444817519.db2.gz LHYKTDOGBPOSTO-UONOGXRCSA-N 2 1 333.423 1.191 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000342708844 444827151 /nfs/dbraw/zinc/82/71/51/444827151.db2.gz OFVRYDASBFWIGX-GOSISDBHSA-N 2 1 345.487 1.679 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000330095987 444842206 /nfs/dbraw/zinc/84/22/06/444842206.db2.gz WOFLFCCVENKUGI-OAHLLOKOSA-N 2 1 344.463 1.779 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N(C)CC(F)(F)F ZINC000336923642 444854945 /nfs/dbraw/zinc/85/49/45/444854945.db2.gz SQYQDGAYTVEEDC-CYBMUJFWSA-N 2 1 338.418 1.948 20 0 EDADMP Cc1nn(C)c(C)c1[C@H]1[C@H](N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC(=O)N1C ZINC000330177599 444874521 /nfs/dbraw/zinc/87/45/21/444874521.db2.gz DBJXYTMKSYHGDM-LUTMRVPUSA-N 2 1 345.491 1.381 20 0 EDADMP Cc1nn(C)c(C)c1[C@H]1[C@H](N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC(=O)N1C ZINC000330177599 444874524 /nfs/dbraw/zinc/87/45/24/444874524.db2.gz DBJXYTMKSYHGDM-LUTMRVPUSA-N 2 1 345.491 1.381 20 0 EDADMP C[N@H+](CCCNC(=O)[C@@H]1CC[NH2+]CC1(F)F)Cc1ccccc1 ZINC000342712403 444828877 /nfs/dbraw/zinc/82/88/77/444828877.db2.gz RPUBLWRRSHUEGD-HNNXBMFYSA-N 2 1 325.403 1.870 20 0 EDADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH2+]CC1(F)F)Cc1ccccc1 ZINC000342712403 444828883 /nfs/dbraw/zinc/82/88/83/444828883.db2.gz RPUBLWRRSHUEGD-HNNXBMFYSA-N 2 1 325.403 1.870 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000341538055 444881797 /nfs/dbraw/zinc/88/17/97/444881797.db2.gz XXFGTGJSQPWLDN-PNBKFKSVSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000341538055 444881804 /nfs/dbraw/zinc/88/18/04/444881804.db2.gz XXFGTGJSQPWLDN-PNBKFKSVSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000341538055 444881811 /nfs/dbraw/zinc/88/18/11/444881811.db2.gz XXFGTGJSQPWLDN-PNBKFKSVSA-N 2 1 338.496 1.268 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)N3CC[NH+](C)CC3)CCCC2)CC1 ZINC000341569037 444900084 /nfs/dbraw/zinc/90/00/84/444900084.db2.gz XUGFKUUNTZURIW-UHFFFAOYSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000337139361 444958935 /nfs/dbraw/zinc/95/89/35/444958935.db2.gz PXPOSEGXXTYBHH-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000337139361 444958939 /nfs/dbraw/zinc/95/89/39/444958939.db2.gz PXPOSEGXXTYBHH-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000337139361 444958944 /nfs/dbraw/zinc/95/89/44/444958944.db2.gz PXPOSEGXXTYBHH-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@H]1CCC[NH+]1C1CCCC1 ZINC000342950673 444961861 /nfs/dbraw/zinc/96/18/61/444961861.db2.gz MDNALBKRSOEDIN-ZWKOTPCHSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(NCCCC[NH+]1CCC[C@H]1CO)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000342950673 444961864 /nfs/dbraw/zinc/96/18/64/444961864.db2.gz MDNALBKRSOEDIN-ZWKOTPCHSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(NCCCC[NH+]1CCC[C@H]1CO)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000342950673 444961867 /nfs/dbraw/zinc/96/18/67/444961867.db2.gz MDNALBKRSOEDIN-ZWKOTPCHSA-N 2 1 337.508 1.747 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000344518467 445028118 /nfs/dbraw/zinc/02/81/18/445028118.db2.gz BHEXVHWMUXBKGT-KRWDZBQOSA-N 2 1 342.528 1.717 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000337229496 444994797 /nfs/dbraw/zinc/99/47/97/444994797.db2.gz UXXLACGYTKHNFZ-SCTDSRPQSA-N 2 1 345.487 1.906 20 0 EDADMP CC[NH+](C)CCNc1cc(NCC[N@H+](C)CC)nc2cnccc21 ZINC000341802997 445009357 /nfs/dbraw/zinc/00/93/57/445009357.db2.gz XUEKLLGOHZSZQN-UHFFFAOYSA-N 2 1 330.480 2.357 20 0 EDADMP CC[NH+](C)CCNc1cc(NCC[N@H+](C)CC)c2ccncc2n1 ZINC000341802997 445009359 /nfs/dbraw/zinc/00/93/59/445009359.db2.gz XUEKLLGOHZSZQN-UHFFFAOYSA-N 3 1 330.480 2.357 20 0 EDADMP CC[NH+](C)CCNc1cc(NCC[N@@H+](C)CC)c2ccncc2n1 ZINC000341802997 445009361 /nfs/dbraw/zinc/00/93/61/445009361.db2.gz XUEKLLGOHZSZQN-UHFFFAOYSA-N 3 1 330.480 2.357 20 0 EDADMP O=C(c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1)N1CCOCC1 ZINC000339066842 445016799 /nfs/dbraw/zinc/01/67/99/445016799.db2.gz KZFWUKBCNHUBFM-MOPGFXCFSA-N 2 1 343.471 1.875 20 0 EDADMP O=C(c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1)N1CCOCC1 ZINC000339066842 445016802 /nfs/dbraw/zinc/01/68/02/445016802.db2.gz KZFWUKBCNHUBFM-MOPGFXCFSA-N 2 1 343.471 1.875 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000337381146 445056694 /nfs/dbraw/zinc/05/66/94/445056694.db2.gz UWYKGCZZUBJLKC-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000337381146 445056696 /nfs/dbraw/zinc/05/66/96/445056696.db2.gz UWYKGCZZUBJLKC-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000341936712 445081677 /nfs/dbraw/zinc/08/16/77/445081677.db2.gz ANUIONSRGBNMPT-INWMFGNUSA-N 2 1 326.510 1.206 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000341943671 445085879 /nfs/dbraw/zinc/08/58/79/445085879.db2.gz ZNYVJOXGQHQWPS-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP CC[C@H](O)C[N@H+](C)C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339111538 445037210 /nfs/dbraw/zinc/03/72/10/445037210.db2.gz YMMSZSUWGFOKNC-MCIONIFRSA-N 2 1 325.432 1.162 20 0 EDADMP CC[C@H](O)C[N@@H+](C)C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339111538 445037215 /nfs/dbraw/zinc/03/72/15/445037215.db2.gz YMMSZSUWGFOKNC-MCIONIFRSA-N 2 1 325.432 1.162 20 0 EDADMP CCN1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@@H]1c1ncc[nH]1 ZINC000337459030 445090201 /nfs/dbraw/zinc/09/02/01/445090201.db2.gz JILNAKOUGKLWEY-GOSISDBHSA-N 2 1 348.539 1.504 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1[NH+](C)C ZINC000344757019 445140057 /nfs/dbraw/zinc/14/00/57/445140057.db2.gz IHCBRTCCHYYMRK-BZUAXINKSA-N 2 1 341.521 1.134 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000337485526 445101370 /nfs/dbraw/zinc/10/13/70/445101370.db2.gz YLYGGCFTMVBGTB-IAGOWNOFSA-N 2 1 325.497 1.534 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCC3(c4ccccc4)CC3)C[C@H]21 ZINC000342088482 445165258 /nfs/dbraw/zinc/16/52/58/445165258.db2.gz QVRLJGMWBNGMHC-KBAYOESNSA-N 2 1 327.472 1.894 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCC3(c4ccccc4)CC3)C[C@H]21 ZINC000342088482 445165261 /nfs/dbraw/zinc/16/52/61/445165261.db2.gz QVRLJGMWBNGMHC-KBAYOESNSA-N 2 1 327.472 1.894 20 0 EDADMP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342092587 445167870 /nfs/dbraw/zinc/16/78/70/445167870.db2.gz VITJORRPWJUJAG-RRQGHBQHSA-N 2 1 330.432 1.643 20 0 EDADMP CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342092587 445167873 /nfs/dbraw/zinc/16/78/73/445167873.db2.gz VITJORRPWJUJAG-RRQGHBQHSA-N 2 1 330.432 1.643 20 0 EDADMP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3C)nn2)CC1 ZINC000342055110 445147564 /nfs/dbraw/zinc/14/75/64/445147564.db2.gz DGFOPFCKYVTKDR-KRWDZBQOSA-N 2 1 342.491 1.691 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000339562886 445150519 /nfs/dbraw/zinc/15/05/19/445150519.db2.gz KQMQXZWFSBYNBU-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP O=C(NCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1cccs1 ZINC000343245538 445158860 /nfs/dbraw/zinc/15/88/60/445158860.db2.gz MJUYUDYTYPMCRP-ZNMIVQPWSA-N 2 1 337.489 1.615 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CC(F)F)(N2CCCCC2)CC1 ZINC000345693831 445196789 /nfs/dbraw/zinc/19/67/89/445196789.db2.gz OZZXNJOVQUXABH-ZDUSSCGKSA-N 3 1 332.439 1.035 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCC[N@H+]1C ZINC000345735018 445197642 /nfs/dbraw/zinc/19/76/42/445197642.db2.gz CYUWFZCGILCUQB-GDBMZVCRSA-N 2 1 326.485 1.221 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCNc2ccc(C)c[nH+]2)C[C@H]1C ZINC000345745333 445198222 /nfs/dbraw/zinc/19/82/22/445198222.db2.gz UMIDACMUHUQOSC-HZPDHXFCSA-N 2 1 333.480 2.316 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCCCNc2ccc(C)c[nH+]2)C[C@H]1C ZINC000345745333 445198223 /nfs/dbraw/zinc/19/82/23/445198223.db2.gz UMIDACMUHUQOSC-HZPDHXFCSA-N 2 1 333.480 2.316 20 0 EDADMP C[C@H](CN1C[C@H]2CCC[NH+]2C[C@@H]1C)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000346645775 445221479 /nfs/dbraw/zinc/22/14/79/445221479.db2.gz PXJHLQPBRHDSSQ-VYJAJWGXSA-N 2 1 334.552 1.960 20 0 EDADMP C[C@H](CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C)CN1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000346645775 445221480 /nfs/dbraw/zinc/22/14/80/445221480.db2.gz PXJHLQPBRHDSSQ-VYJAJWGXSA-N 2 1 334.552 1.960 20 0 EDADMP C[C@H](CN1C[C@H]2CCC[N@H+]2C[C@@H]1C)CN1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000346645775 445221481 /nfs/dbraw/zinc/22/14/81/445221481.db2.gz PXJHLQPBRHDSSQ-VYJAJWGXSA-N 2 1 334.552 1.960 20 0 EDADMP CSC[C@H](O)C[N@@H+](C)C[C@@H]1CCCN(C)[C@@H]1c1ccnn1C ZINC000346936984 445228177 /nfs/dbraw/zinc/22/81/77/445228177.db2.gz SHVOMRIEUSLSBL-LZWOXQAQSA-N 2 1 326.510 1.459 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@H]2CCC[NH+]2C)CC[N@H+]1CCOC ZINC000347064204 445230630 /nfs/dbraw/zinc/23/06/30/445230630.db2.gz FHIKECDBXCUQJZ-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH+]1CCOC ZINC000347064204 445230631 /nfs/dbraw/zinc/23/06/31/445230631.db2.gz FHIKECDBXCUQJZ-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C)CC[NH+]1CCOC ZINC000347064204 445230633 /nfs/dbraw/zinc/23/06/33/445230633.db2.gz FHIKECDBXCUQJZ-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000348113835 445274801 /nfs/dbraw/zinc/27/48/01/445274801.db2.gz GYAYHRBIOLWSME-DOTOQJQBSA-N 2 1 334.443 1.469 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000348113835 445274803 /nfs/dbraw/zinc/27/48/03/445274803.db2.gz GYAYHRBIOLWSME-DOTOQJQBSA-N 2 1 334.443 1.469 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)CCn2cccn2)cc[nH+]1 ZINC000348162098 445295697 /nfs/dbraw/zinc/29/56/97/445295697.db2.gz YPEVAQRWCFODHC-CABCVRRESA-N 2 1 347.442 1.288 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)CCn2cccn2)cc[nH+]1 ZINC000348162098 445295700 /nfs/dbraw/zinc/29/57/00/445295700.db2.gz YPEVAQRWCFODHC-CABCVRRESA-N 2 1 347.442 1.288 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000351859049 445345005 /nfs/dbraw/zinc/34/50/05/445345005.db2.gz ZOVLTPWRTUHSCQ-OFQRWUPVSA-N 2 1 349.475 1.420 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000351859049 445345007 /nfs/dbraw/zinc/34/50/07/445345007.db2.gz ZOVLTPWRTUHSCQ-OFQRWUPVSA-N 2 1 349.475 1.420 20 0 EDADMP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)C2CC2)cc1 ZINC000351860198 445345556 /nfs/dbraw/zinc/34/55/56/445345556.db2.gz IAHIQTJHXCMJSU-HOCLYGCPSA-N 2 1 331.460 1.855 20 0 EDADMP COc1ccc(CN(C(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)C2CC2)cc1 ZINC000351860198 445345558 /nfs/dbraw/zinc/34/55/58/445345558.db2.gz IAHIQTJHXCMJSU-HOCLYGCPSA-N 2 1 331.460 1.855 20 0 EDADMP COC(=O)c1occc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000348850174 445414662 /nfs/dbraw/zinc/41/46/62/445414662.db2.gz SZZZIKYSSPJKGD-UHFFFAOYSA-N 2 1 349.475 1.916 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]2COCC[C@H]21)c1ccccc1 ZINC000354789813 445390674 /nfs/dbraw/zinc/39/06/74/445390674.db2.gz MABFFPFBIMAYNN-GUDVDZBRSA-N 2 1 345.487 1.906 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[NH2+]Cc2ccncc2)cc[nH+]1 ZINC000354936399 445434752 /nfs/dbraw/zinc/43/47/52/445434752.db2.gz WTXFYEMUKISBOV-HUUCEWRRSA-N 2 1 330.411 1.644 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362552361 445435538 /nfs/dbraw/zinc/43/55/38/445435538.db2.gz KZSMKKDGXOTEAS-LJISPDSOSA-N 2 1 333.480 1.583 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362566093 445443252 /nfs/dbraw/zinc/44/32/52/445443252.db2.gz FNYYNFBIUKENMP-QLFBSQMISA-N 2 1 347.507 1.973 20 0 EDADMP C[NH+](C)CCOc1cc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)ccn1 ZINC000355444694 445460786 /nfs/dbraw/zinc/46/07/86/445460786.db2.gz NHDGEYWRVRBFKL-QGZVFWFLSA-N 2 1 348.491 1.903 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c(C)nn(C)c1OC ZINC000349071425 445494310 /nfs/dbraw/zinc/49/43/10/445494310.db2.gz GHHHPBNGGWADAN-INIZCTEOSA-N 2 1 337.512 1.585 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C[C@@H]3COCC[NH2+]3)c2)C[C@H](C)O1 ZINC000357237696 445499786 /nfs/dbraw/zinc/49/97/86/445499786.db2.gz HEXCKMJFQSSDEO-RVKKMQEKSA-N 2 1 347.459 1.613 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C[C@@H]3COCC[NH2+]3)c2)C[C@H](C)O1 ZINC000357237696 445499789 /nfs/dbraw/zinc/49/97/89/445499789.db2.gz HEXCKMJFQSSDEO-RVKKMQEKSA-N 2 1 347.459 1.613 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)cn1 ZINC000362810446 445559634 /nfs/dbraw/zinc/55/96/34/445559634.db2.gz YYZNUNMQXYZTFN-WMZOPIPTSA-N 2 1 347.507 1.525 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)cn1 ZINC000362810446 445559639 /nfs/dbraw/zinc/55/96/39/445559639.db2.gz YYZNUNMQXYZTFN-WMZOPIPTSA-N 2 1 347.507 1.525 20 0 EDADMP CCCn1cc(C[NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC000362810446 445559643 /nfs/dbraw/zinc/55/96/43/445559643.db2.gz YYZNUNMQXYZTFN-WMZOPIPTSA-N 2 1 347.507 1.525 20 0 EDADMP CCCn1cc(C[NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC000362810446 445559645 /nfs/dbraw/zinc/55/96/45/445559645.db2.gz YYZNUNMQXYZTFN-WMZOPIPTSA-N 2 1 347.507 1.525 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)CCC[C@@H]2C)C1 ZINC000357716657 445578557 /nfs/dbraw/zinc/57/85/57/445578557.db2.gz OPUHQVHUCNZNRA-OKZBNKHCSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)C1 ZINC000357716657 445578559 /nfs/dbraw/zinc/57/85/59/445578559.db2.gz OPUHQVHUCNZNRA-OKZBNKHCSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H](C)CCC[C@@H]2C)C1 ZINC000357716657 445578561 /nfs/dbraw/zinc/57/85/61/445578561.db2.gz OPUHQVHUCNZNRA-OKZBNKHCSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000360121668 445578662 /nfs/dbraw/zinc/57/86/62/445578662.db2.gz AHMYEJYWILRJSK-JKSUJKDBSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H]1C[NH+](CCCCNc2cc[nH+]c(N3CCOCC3)n2)C[C@@H](C)O1 ZINC000353267494 445584698 /nfs/dbraw/zinc/58/46/98/445584698.db2.gz PQXIBSFXIWSGJO-HZPDHXFCSA-N 2 1 349.479 1.615 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000360037553 445539639 /nfs/dbraw/zinc/53/96/39/445539639.db2.gz DHRLVKGVWYEBMQ-AZUAARDMSA-N 2 1 349.519 1.834 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+]1CCN(C)CC1 ZINC000358466601 445621568 /nfs/dbraw/zinc/62/15/68/445621568.db2.gz YCAQAZXEUHAWAX-DLBZAZTESA-N 2 1 341.544 1.286 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)N1CC[NH+](C)CC1 ZINC000358466601 445621570 /nfs/dbraw/zinc/62/15/70/445621570.db2.gz YCAQAZXEUHAWAX-DLBZAZTESA-N 2 1 341.544 1.286 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)N1CC[NH+](C)CC1 ZINC000358466601 445621574 /nfs/dbraw/zinc/62/15/74/445621574.db2.gz YCAQAZXEUHAWAX-DLBZAZTESA-N 2 1 341.544 1.286 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358503025 445622323 /nfs/dbraw/zinc/62/23/23/445622323.db2.gz DKTWQGJLPZGJJF-UHFFFAOYSA-N 2 1 346.431 1.419 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000360210402 445630424 /nfs/dbraw/zinc/63/04/24/445630424.db2.gz XVTMHMXZWLFECT-IAGOWNOFSA-N 2 1 337.439 1.654 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000353506354 445634023 /nfs/dbraw/zinc/63/40/23/445634023.db2.gz LAUCFDOUFNTVFM-QGZVFWFLSA-N 2 1 346.475 1.208 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358536175 445639617 /nfs/dbraw/zinc/63/96/17/445639617.db2.gz YQJUQYOSMCELBM-LVQVYYBASA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358536175 445639621 /nfs/dbraw/zinc/63/96/21/445639621.db2.gz YQJUQYOSMCELBM-LVQVYYBASA-N 2 1 326.485 1.220 20 0 EDADMP CC1CC[NH+](C[C@@H](O)CNC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000353414787 445594033 /nfs/dbraw/zinc/59/40/33/445594033.db2.gz LGWKUWKLNGQZFY-IRXDYDNUSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)[N@H+]1CCC[C@@H](C)C1 ZINC000360248144 445654806 /nfs/dbraw/zinc/65/48/06/445654806.db2.gz GECHXGAIIIFTBC-INMHGKMJSA-N 2 1 342.553 1.843 20 0 EDADMP C[C@@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)C[NH+]1CCOCC1 ZINC000363107921 445680986 /nfs/dbraw/zinc/68/09/86/445680986.db2.gz OIDYGBGHCVQXGS-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000360327885 445696239 /nfs/dbraw/zinc/69/62/39/445696239.db2.gz CLKMDZOITSUYRC-RHSMWYFYSA-N 2 1 344.459 1.475 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000360327885 445696242 /nfs/dbraw/zinc/69/62/42/445696242.db2.gz CLKMDZOITSUYRC-RHSMWYFYSA-N 2 1 344.459 1.475 20 0 EDADMP CCOC(=O)[C@H](C)[N@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000353676488 445702256 /nfs/dbraw/zinc/70/22/56/445702256.db2.gz NXGLRYXEXSDUFM-HNNXBMFYSA-N 2 1 348.447 1.004 20 0 EDADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(=O)[nH]n1 ZINC000353675606 445702733 /nfs/dbraw/zinc/70/27/33/445702733.db2.gz UXIIIKCBMAWHEK-RHSMWYFYSA-N 2 1 342.443 1.990 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000360915357 445738685 /nfs/dbraw/zinc/73/86/85/445738685.db2.gz XTQRCVRQPZIMMU-SJLPKXTDSA-N 2 1 337.508 1.556 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000360915357 445738690 /nfs/dbraw/zinc/73/86/90/445738690.db2.gz XTQRCVRQPZIMMU-SJLPKXTDSA-N 2 1 337.508 1.556 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](COc3ccccc3)C2)CC1 ZINC000356352570 445748761 /nfs/dbraw/zinc/74/87/61/445748761.db2.gz ULDXOBFQKBAPSF-QGZVFWFLSA-N 2 1 345.487 1.988 20 0 EDADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC1)CC(C)C ZINC000358750062 445756443 /nfs/dbraw/zinc/75/64/43/445756443.db2.gz KXWSLRJVMQEUOR-HNNXBMFYSA-N 2 1 340.512 1.911 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCCC1 ZINC000361288020 445758415 /nfs/dbraw/zinc/75/84/15/445758415.db2.gz NSKMWYQLUMDNQM-ULQDDVLXSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000358871856 445824113 /nfs/dbraw/zinc/82/41/13/445824113.db2.gz KVZLFNHBUFWXGP-HOTGVXAUSA-N 2 1 341.496 1.055 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000350256282 445801269 /nfs/dbraw/zinc/80/12/69/445801269.db2.gz SDECQXCGKQGBLD-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000363457270 445812312 /nfs/dbraw/zinc/81/23/12/445812312.db2.gz RRKFNZKRQLVIMD-UYAOXDASSA-N 2 1 331.504 1.854 20 0 EDADMP Cc1cccc(NC2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)[nH+]1 ZINC000363523007 445844427 /nfs/dbraw/zinc/84/44/27/445844427.db2.gz QZIVIFZHWSWOOI-INIZCTEOSA-N 2 1 332.448 1.250 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)/C=C/C[NH+](C)C)[C@H](C)C2)s1 ZINC000363550646 445855505 /nfs/dbraw/zinc/85/55/05/445855505.db2.gz DXNBHRKQRUFDCO-NHXPHFSRSA-N 2 1 336.505 1.896 20 0 EDADMP CCCOc1cccnc1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372941897 445933852 /nfs/dbraw/zinc/93/38/52/445933852.db2.gz GNHBESRCUUMTAA-HNNXBMFYSA-N 2 1 346.475 1.769 20 0 EDADMP CCOC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364215372 445901554 /nfs/dbraw/zinc/90/15/54/445901554.db2.gz PGPZPLTXKRBPKL-MRXNPFEDSA-N 2 1 340.512 1.611 20 0 EDADMP CCOC(C)(C)CNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364215372 445901558 /nfs/dbraw/zinc/90/15/58/445901558.db2.gz PGPZPLTXKRBPKL-MRXNPFEDSA-N 2 1 340.512 1.611 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000359047220 445908846 /nfs/dbraw/zinc/90/88/46/445908846.db2.gz VYMPYNFCWLQEFP-DLBZAZTESA-N 2 1 342.528 1.907 20 0 EDADMP Cc1nc(CN2CCC(C(=O)NC[C@H]3CCC[N@@H+]3C)CC2)cs1 ZINC000369149587 445954196 /nfs/dbraw/zinc/95/41/96/445954196.db2.gz OGKCTGVLGZTDNV-MRXNPFEDSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H]3CCC[N@H+]3C)CC2)cs1 ZINC000369149587 445954200 /nfs/dbraw/zinc/95/42/00/445954200.db2.gz OGKCTGVLGZTDNV-MRXNPFEDSA-N 2 1 336.505 1.874 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000361804261 445958773 /nfs/dbraw/zinc/95/87/73/445958773.db2.gz PMJTVYJVYCGNHJ-BBWFWOEESA-N 2 1 337.512 1.086 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@@H]1N1CCOCC1 ZINC000361804261 445958778 /nfs/dbraw/zinc/95/87/78/445958778.db2.gz PMJTVYJVYCGNHJ-BBWFWOEESA-N 2 1 337.512 1.086 20 0 EDADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C(=O)N(C)Cc1cccc(F)c1 ZINC000369156524 445959209 /nfs/dbraw/zinc/95/92/09/445959209.db2.gz IASMTRPFEPHUPK-BBRMVZONSA-N 2 1 330.407 1.974 20 0 EDADMP CC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000369194968 445984286 /nfs/dbraw/zinc/98/42/86/445984286.db2.gz HDCRHAGRKONPDO-SFHVURJKSA-N 2 1 345.491 1.641 20 0 EDADMP CC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000369194968 445984296 /nfs/dbraw/zinc/98/42/96/445984296.db2.gz HDCRHAGRKONPDO-SFHVURJKSA-N 2 1 345.491 1.641 20 0 EDADMP COCC[C@@]1(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000373091808 446022017 /nfs/dbraw/zinc/02/20/17/446022017.db2.gz XUFWNQRPQRAMNJ-IBGZPJMESA-N 2 1 331.460 1.177 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000351220224 446011730 /nfs/dbraw/zinc/01/17/30/446011730.db2.gz VQVFBHSOHQCGIE-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000583133874 326008636 /nfs/dbraw/zinc/00/86/36/326008636.db2.gz VLZPXHJKGOITBG-SUMWQHHRSA-N 2 1 343.431 1.529 20 0 EDADMP O=C(CN1CCCO[C@H]2CCC[C@H]21)N1CCN(Cc2ccco2)CC1 ZINC000365143407 446050568 /nfs/dbraw/zinc/05/05/68/446050568.db2.gz AEFXUVQPRAHCFO-MSOLQXFVSA-N 2 1 347.459 1.567 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NC3(C)CC[NH2+]CC3)CC2)nc(C)[nH+]1 ZINC000583430418 326070901 /nfs/dbraw/zinc/07/09/01/326070901.db2.gz VJSAVRJAWMAWJV-UHFFFAOYSA-N 2 1 346.479 1.504 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000583631673 326108362 /nfs/dbraw/zinc/10/83/62/326108362.db2.gz XGOCJQJTDBDGCM-HOTGVXAUSA-N 2 1 327.432 1.714 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583801680 326142167 /nfs/dbraw/zinc/14/21/67/326142167.db2.gz DGIJVWKRSNTMJZ-LJIGWXMPSA-N 2 1 334.464 1.311 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583801680 326142169 /nfs/dbraw/zinc/14/21/69/326142169.db2.gz DGIJVWKRSNTMJZ-LJIGWXMPSA-N 2 1 334.464 1.311 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000584236495 326226603 /nfs/dbraw/zinc/22/66/03/326226603.db2.gz KCJFJJWXSCGJSG-HZMVEIRTSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000584236495 326226604 /nfs/dbraw/zinc/22/66/04/326226604.db2.gz KCJFJJWXSCGJSG-HZMVEIRTSA-N 2 1 327.513 1.965 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N3CCN(Cc4ccsc4)CC3)C[C@H]12 ZINC000351488504 446089995 /nfs/dbraw/zinc/08/99/95/446089995.db2.gz GCQHTTDULXHCDZ-YESZJQIVSA-N 2 1 348.516 1.061 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CCN(Cc4ccsc4)CC3)C[C@H]12 ZINC000351488504 446089996 /nfs/dbraw/zinc/08/99/96/446089996.db2.gz GCQHTTDULXHCDZ-YESZJQIVSA-N 2 1 348.516 1.061 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351493660 446097007 /nfs/dbraw/zinc/09/70/07/446097007.db2.gz MUTRMHJRJMXHEB-BMGDILEWSA-N 2 1 347.459 1.249 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351493660 446097014 /nfs/dbraw/zinc/09/70/14/446097014.db2.gz MUTRMHJRJMXHEB-BMGDILEWSA-N 2 1 347.459 1.249 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351496333 446101996 /nfs/dbraw/zinc/10/19/96/446101996.db2.gz RCBIWESHQYCPGZ-SLBVQIDZSA-N 2 1 330.432 1.070 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351496333 446102002 /nfs/dbraw/zinc/10/20/02/446102002.db2.gz RCBIWESHQYCPGZ-SLBVQIDZSA-N 2 1 330.432 1.070 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC000356923686 446128356 /nfs/dbraw/zinc/12/83/56/446128356.db2.gz ZCPNUUMOVBIJTA-CVEARBPZSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC000356923686 446128361 /nfs/dbraw/zinc/12/83/61/446128361.db2.gz ZCPNUUMOVBIJTA-CVEARBPZSA-N 2 1 325.497 1.412 20 0 EDADMP CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)NCCC[NH+](C)C)C1 ZINC000366361790 446173798 /nfs/dbraw/zinc/17/37/98/446173798.db2.gz VOVMSAMAJQPYRG-UHFFFAOYSA-N 2 1 332.448 1.071 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](CO)[C@H](C)C2)CC1 ZINC000362064414 446187248 /nfs/dbraw/zinc/18/72/48/446187248.db2.gz JPFJOVLGVHRKOU-IEBWSBKVSA-N 2 1 345.487 1.199 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](CO)[C@H](C)C2)CC1 ZINC000362064414 446187253 /nfs/dbraw/zinc/18/72/53/446187253.db2.gz JPFJOVLGVHRKOU-IEBWSBKVSA-N 2 1 345.487 1.199 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H](CO)C2)CC1 ZINC000362062598 446187395 /nfs/dbraw/zinc/18/73/95/446187395.db2.gz FAUFPWIUENUUJQ-LMMKCTJWSA-N 2 1 345.487 1.452 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H](CO)C2)CC1 ZINC000362062598 446187398 /nfs/dbraw/zinc/18/73/98/446187398.db2.gz FAUFPWIUENUUJQ-LMMKCTJWSA-N 2 1 345.487 1.452 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@@H]4CCCC[C@@H]4C3)C2)CC1 ZINC000370185058 446189236 /nfs/dbraw/zinc/18/92/36/446189236.db2.gz ORCWZVFPLGHYHN-BBWFWOEESA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3C[C@@H]4CCCC[C@@H]4C3)C2)CC1 ZINC000370185058 446189238 /nfs/dbraw/zinc/18/92/38/446189238.db2.gz ORCWZVFPLGHYHN-BBWFWOEESA-N 2 1 334.508 1.987 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000359526525 446276379 /nfs/dbraw/zinc/27/63/79/446276379.db2.gz VHOYMHCZVQARGA-BRWVUGGUSA-N 2 1 325.497 1.676 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000365694714 446304630 /nfs/dbraw/zinc/30/46/30/446304630.db2.gz FPNQMNWHYUDALT-ROUUACIJSA-N 2 1 346.475 1.131 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000365694714 446304634 /nfs/dbraw/zinc/30/46/34/446304634.db2.gz FPNQMNWHYUDALT-ROUUACIJSA-N 2 1 346.475 1.131 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000365694714 446304640 /nfs/dbraw/zinc/30/46/40/446304640.db2.gz FPNQMNWHYUDALT-ROUUACIJSA-N 2 1 346.475 1.131 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000365694714 446304645 /nfs/dbraw/zinc/30/46/45/446304645.db2.gz FPNQMNWHYUDALT-ROUUACIJSA-N 2 1 346.475 1.131 20 0 EDADMP C[C@H](CNC(=O)NC1(C)CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000417337423 446346124 /nfs/dbraw/zinc/34/61/24/446346124.db2.gz IQGDMHMPIRCFAC-OAHLLOKOSA-N 2 1 330.476 1.875 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000417334599 446346223 /nfs/dbraw/zinc/34/62/23/446346223.db2.gz FQBXVBQZIHSEHG-PMPSAXMXSA-N 2 1 330.476 1.825 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000370602608 446352853 /nfs/dbraw/zinc/35/28/53/446352853.db2.gz PMEDCYPGLHIUHN-SFHVURJKSA-N 2 1 349.475 1.352 20 0 EDADMP CC(C)N1CCO[C@H](C(=O)NCc2ccc(N3CCCCC3)nc2)C1 ZINC000370606556 446354578 /nfs/dbraw/zinc/35/45/78/446354578.db2.gz MSBDWHZQGQDYRS-KRWDZBQOSA-N 2 1 346.475 1.797 20 0 EDADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)o1 ZINC000366811611 446363546 /nfs/dbraw/zinc/36/35/46/446363546.db2.gz RKEYFNKGEGBKEE-QGZVFWFLSA-N 2 1 337.464 1.587 20 0 EDADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)o1 ZINC000366811611 446363547 /nfs/dbraw/zinc/36/35/47/446363547.db2.gz RKEYFNKGEGBKEE-QGZVFWFLSA-N 2 1 337.464 1.587 20 0 EDADMP C[C@@H](CCNC(=O)NCC(F)(F)C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000417818471 446374420 /nfs/dbraw/zinc/37/44/20/446374420.db2.gz SKCZOVDRASAHTP-ZDUSSCGKSA-N 2 1 328.407 1.790 20 0 EDADMP C[C@@H](CCNC(=O)NCC(F)(F)C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000417818471 446374421 /nfs/dbraw/zinc/37/44/21/446374421.db2.gz SKCZOVDRASAHTP-ZDUSSCGKSA-N 2 1 328.407 1.790 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417895046 446377902 /nfs/dbraw/zinc/37/79/02/446377902.db2.gz OJAIKZZWBLMDQT-OKZBNKHCSA-N 2 1 348.491 1.703 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417895046 446377908 /nfs/dbraw/zinc/37/79/08/446377908.db2.gz OJAIKZZWBLMDQT-OKZBNKHCSA-N 2 1 348.491 1.703 20 0 EDADMP CC[C@H](NC(=O)NCCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417901824 446381418 /nfs/dbraw/zinc/38/14/18/446381418.db2.gz WSMJLXVMACUUHU-IRXDYDNUSA-N 2 1 334.464 1.314 20 0 EDADMP CC[C@H](NC(=O)NCCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417901824 446381423 /nfs/dbraw/zinc/38/14/23/446381423.db2.gz WSMJLXVMACUUHU-IRXDYDNUSA-N 2 1 334.464 1.314 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000417935267 446391446 /nfs/dbraw/zinc/39/14/46/446391446.db2.gz GOLPQBSTMNZKBP-OWSLCNJRSA-N 2 1 328.460 1.683 20 0 EDADMP CCc1cccc(OCC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000374785351 446392387 /nfs/dbraw/zinc/39/23/87/446392387.db2.gz VJWRMGMVCORIOQ-UHFFFAOYSA-N 2 1 348.487 1.787 20 0 EDADMP C[C@@H](C[C@@H]1COCC[NH2+]1)NCc1ccncc1OCCC[NH+](C)C ZINC000423132837 446434530 /nfs/dbraw/zinc/43/45/30/446434530.db2.gz VAXJNJDOENDRFV-DOTOQJQBSA-N 2 1 336.480 1.269 20 0 EDADMP OCCC[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423145321 446440751 /nfs/dbraw/zinc/44/07/51/446440751.db2.gz KCACRLDUYPRQLA-KPFFTGBYSA-N 2 1 345.487 1.679 20 0 EDADMP OCCC[N@H+]1CCC[C@@H]1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423145321 446440753 /nfs/dbraw/zinc/44/07/53/446440753.db2.gz KCACRLDUYPRQLA-KPFFTGBYSA-N 2 1 345.487 1.679 20 0 EDADMP C[C@@H](CNC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1)C[NH+]1CCCC1 ZINC000374897657 446443822 /nfs/dbraw/zinc/44/38/22/446443822.db2.gz MTMSYZXFMPVBLX-INIZCTEOSA-N 2 1 347.507 1.573 20 0 EDADMP C[C@@H](CNC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1)C[NH+]1CCCC1 ZINC000374897657 446443826 /nfs/dbraw/zinc/44/38/26/446443826.db2.gz MTMSYZXFMPVBLX-INIZCTEOSA-N 2 1 347.507 1.573 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417996158 446410239 /nfs/dbraw/zinc/41/02/39/446410239.db2.gz QOEGOABRBOPZOB-VVLHAWIVSA-N 2 1 334.508 1.890 20 0 EDADMP CN(CC(C)(C)C[NH3+])C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418001756 446412543 /nfs/dbraw/zinc/41/25/43/446412543.db2.gz XCWODZHDHLGINT-KRWDZBQOSA-N 2 1 348.491 1.380 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418191101 446454180 /nfs/dbraw/zinc/45/41/80/446454180.db2.gz KCFFFHBMRUBHJF-TZMCWYRMSA-N 2 1 326.391 1.543 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000418191101 446454185 /nfs/dbraw/zinc/45/41/85/446454185.db2.gz KCFFFHBMRUBHJF-TZMCWYRMSA-N 2 1 326.391 1.543 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCS(=O)(=O)N(C)C)C1 ZINC000367013542 446461593 /nfs/dbraw/zinc/46/15/93/446461593.db2.gz AKJUWYFDWLJJCY-CVEARBPZSA-N 2 1 331.526 1.464 20 0 EDADMP CN(C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000418228848 446465283 /nfs/dbraw/zinc/46/52/83/446465283.db2.gz BYFKEIWGZYIKPU-KRWDZBQOSA-N 2 1 330.476 1.902 20 0 EDADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000420310147 446472907 /nfs/dbraw/zinc/47/29/07/446472907.db2.gz MHYXQVBYXODTSC-HOTGVXAUSA-N 2 1 339.480 1.395 20 0 EDADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000420310147 446472918 /nfs/dbraw/zinc/47/29/18/446472918.db2.gz MHYXQVBYXODTSC-HOTGVXAUSA-N 2 1 339.480 1.395 20 0 EDADMP COc1ccccc1CCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000420311554 446474950 /nfs/dbraw/zinc/47/49/50/446474950.db2.gz NOJPDVLKSRJCRP-KRWDZBQOSA-N 2 1 333.476 1.947 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000420312038 446476235 /nfs/dbraw/zinc/47/62/35/446476235.db2.gz HPYZLNNLXJJAMV-SJLPKXTDSA-N 2 1 347.503 1.923 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000376406217 446479182 /nfs/dbraw/zinc/47/91/82/446479182.db2.gz CWDWKMDYFXUBSG-HSALFYBXSA-N 3 1 334.552 1.819 20 0 EDADMP CC(C)[NH+]1CCN(CCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000376406217 446479185 /nfs/dbraw/zinc/47/91/85/446479185.db2.gz CWDWKMDYFXUBSG-HSALFYBXSA-N 3 1 334.552 1.819 20 0 EDADMP CC(C)[NH+]1CCN(CCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000376406217 446479189 /nfs/dbraw/zinc/47/91/89/446479189.db2.gz CWDWKMDYFXUBSG-HSALFYBXSA-N 3 1 334.552 1.819 20 0 EDADMP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420321942 446487238 /nfs/dbraw/zinc/48/72/38/446487238.db2.gz DGSPOZUYFVQNII-RTBURBONSA-N 2 1 345.487 1.771 20 0 EDADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000367048899 446488132 /nfs/dbraw/zinc/48/81/32/446488132.db2.gz AFGVVSYZHJDJSH-KSZLIROESA-N 2 1 325.497 1.188 20 0 EDADMP COC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1C ZINC000420323074 446489817 /nfs/dbraw/zinc/48/98/17/446489817.db2.gz XSQHDJQTHAHXFT-HNNXBMFYSA-N 2 1 347.459 1.922 20 0 EDADMP c1ccc(-n2nnnc2CC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420325524 446491365 /nfs/dbraw/zinc/49/13/65/446491365.db2.gz IQUGQJIPQWWZJK-HZPDHXFCSA-N 2 1 326.448 1.526 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423333386 446491889 /nfs/dbraw/zinc/49/18/89/446491889.db2.gz ROHZLLHEBKQCSH-ACJLOTCBSA-N 2 1 335.398 1.797 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326248 446492971 /nfs/dbraw/zinc/49/29/71/446492971.db2.gz JQKWRWDRICLPTK-HUUCEWRRSA-N 2 1 334.464 1.173 20 0 EDADMP COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)NCC[NH3+])CC2)c1C ZINC000418311189 446493905 /nfs/dbraw/zinc/49/39/05/446493905.db2.gz ZZTMMNQHXLLAPG-UHFFFAOYSA-N 2 1 349.479 1.272 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367068266 446501147 /nfs/dbraw/zinc/50/11/47/446501147.db2.gz WMQNRQKMIKRJJD-FUHWJXTLSA-N 2 1 330.476 1.862 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000367072473 446501983 /nfs/dbraw/zinc/50/19/83/446501983.db2.gz GLTYHLRHWNLWCZ-YYIAUSFCSA-N 2 1 335.492 1.382 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000420334394 446504109 /nfs/dbraw/zinc/50/41/09/446504109.db2.gz UISVRYLMXBZGAV-XDNAFOTISA-N 2 1 335.492 1.478 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418365902 446515431 /nfs/dbraw/zinc/51/54/31/446515431.db2.gz KCGRHCGDMLTDML-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C[C@@H]1Cc1ccccc1 ZINC000418318078 446496802 /nfs/dbraw/zinc/49/68/02/446496802.db2.gz NHDYFPZBKZXCEY-MSOLQXFVSA-N 2 1 330.476 1.554 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C[C@@H]1Cc1ccccc1 ZINC000418318078 446496812 /nfs/dbraw/zinc/49/68/12/446496812.db2.gz NHDYFPZBKZXCEY-MSOLQXFVSA-N 2 1 330.476 1.554 20 0 EDADMP O=C(NC[C@@H]1CCC[NH2+]C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418325036 446498267 /nfs/dbraw/zinc/49/82/67/446498267.db2.gz WJFBWZGOGFKGBR-GOSISDBHSA-N 2 1 330.476 1.556 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000420330752 446501074 /nfs/dbraw/zinc/50/10/74/446501074.db2.gz LUZDUGQQCNPMEJ-WBVHZDCISA-N 2 1 339.386 1.732 20 0 EDADMP Cc1cc(C2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)n[nH]1 ZINC000420382806 446558847 /nfs/dbraw/zinc/55/88/47/446558847.db2.gz YRSDWUJJNWRUHU-HKUYNNGSSA-N 2 1 328.460 1.828 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423403588 446519675 /nfs/dbraw/zinc/51/96/75/446519675.db2.gz YPOCYBPFNJTGFI-IRXDYDNUSA-N 2 1 333.476 1.940 20 0 EDADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1F ZINC000420347294 446520861 /nfs/dbraw/zinc/52/08/61/446520861.db2.gz GJSGLXRIZFNMPZ-GDBMZVCRSA-N 2 1 334.439 1.441 20 0 EDADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1F ZINC000420347294 446520865 /nfs/dbraw/zinc/52/08/65/446520865.db2.gz GJSGLXRIZFNMPZ-GDBMZVCRSA-N 2 1 334.439 1.441 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418398163 446528401 /nfs/dbraw/zinc/52/84/01/446528401.db2.gz KGNYVQYGBPHZOD-ROUUACIJSA-N 2 1 345.491 1.815 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423428235 446532624 /nfs/dbraw/zinc/53/26/24/446532624.db2.gz OENAXCHGGMSSSN-CABCVRRESA-N 2 1 333.480 1.871 20 0 EDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)[NH3+] ZINC000418410820 446534417 /nfs/dbraw/zinc/53/44/17/446534417.db2.gz CYIDTIYWAOEWSC-SFHVURJKSA-N 2 1 334.464 1.002 20 0 EDADMP O=C(CC[N@H+]1CCO[C@H](CCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000420360221 446540189 /nfs/dbraw/zinc/54/01/89/446540189.db2.gz LQDMEKJDJFHFLF-GOSISDBHSA-N 2 1 331.460 1.142 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000433164253 446541486 /nfs/dbraw/zinc/54/14/86/446541486.db2.gz ZUMDIVQEQWJWGQ-IBGZPJMESA-N 2 1 346.519 1.671 20 0 EDADMP C[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000433169377 446543323 /nfs/dbraw/zinc/54/33/23/446543323.db2.gz QYRYMJGWXYLKPM-KRWDZBQOSA-N 3 1 346.519 1.826 20 0 EDADMP C[C@@H](CNC(=O)CCCN1CCC([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000433169377 446543333 /nfs/dbraw/zinc/54/33/33/446543333.db2.gz QYRYMJGWXYLKPM-KRWDZBQOSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@@H](CNC(=O)CCCN1CCC([NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000433169377 446543337 /nfs/dbraw/zinc/54/33/37/446543337.db2.gz QYRYMJGWXYLKPM-KRWDZBQOSA-N 2 1 346.519 1.826 20 0 EDADMP O=C(CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1)N1CCNCC1 ZINC000420365630 446545688 /nfs/dbraw/zinc/54/56/88/446545688.db2.gz SJXGGAVSRVFJSK-UHFFFAOYSA-N 2 1 336.524 1.396 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]CC1 ZINC000423474073 446549661 /nfs/dbraw/zinc/54/96/61/446549661.db2.gz JHTOLXAPAVZIRO-STQMWFEESA-N 3 1 333.423 1.142 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418458772 446551101 /nfs/dbraw/zinc/55/11/01/446551101.db2.gz JIKNVVSUENLWAQ-ZWKOTPCHSA-N 2 1 330.476 1.684 20 0 EDADMP CCC[NH2+]CCNC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418464032 446553454 /nfs/dbraw/zinc/55/34/54/446553454.db2.gz ABAVIFZXZIKHKZ-IBGZPJMESA-N 2 1 348.491 1.264 20 0 EDADMP C[C@@H](CN1CCOCC1)NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000371089506 446620383 /nfs/dbraw/zinc/62/03/83/446620383.db2.gz UDLVCCKXTDXNSX-WMLDXEAASA-N 2 1 332.448 1.193 20 0 EDADMP C[C@@H](CN1CCOCC1)NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371089506 446620395 /nfs/dbraw/zinc/62/03/95/446620395.db2.gz UDLVCCKXTDXNSX-WMLDXEAASA-N 2 1 332.448 1.193 20 0 EDADMP CCn1cc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000371083900 446617673 /nfs/dbraw/zinc/61/76/73/446617673.db2.gz FBFZGXJXEDCRFD-UHFFFAOYSA-N 2 1 347.507 1.829 20 0 EDADMP CC[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)C1 ZINC000376550981 446569331 /nfs/dbraw/zinc/56/93/31/446569331.db2.gz IIEMEOQIEAPESW-RBUKOAKNSA-N 2 1 339.524 1.266 20 0 EDADMP CC[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)C1 ZINC000376550981 446569335 /nfs/dbraw/zinc/56/93/35/446569335.db2.gz IIEMEOQIEAPESW-RBUKOAKNSA-N 2 1 339.524 1.266 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418524296 446581479 /nfs/dbraw/zinc/58/14/79/446581479.db2.gz MZOIARKPISKXDZ-QZTJIDSGSA-N 2 1 345.491 1.687 20 0 EDADMP CC(C)Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000420408452 446581694 /nfs/dbraw/zinc/58/16/94/446581694.db2.gz WBTCWBQVZFNUAN-INIZCTEOSA-N 2 1 347.503 1.848 20 0 EDADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)CS(C)(=O)=O)C2)nc(C)[nH+]1 ZINC000367767314 446588541 /nfs/dbraw/zinc/58/85/41/446588541.db2.gz KRFGGDBEONTLSG-TZMCWYRMSA-N 2 1 326.466 1.085 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000418667835 446642291 /nfs/dbraw/zinc/64/22/91/446642291.db2.gz GZEMUPNCEPXRKP-XXQMMXQMSA-N 2 1 342.487 1.899 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418680985 446645760 /nfs/dbraw/zinc/64/57/60/446645760.db2.gz GFCNZABIPDPTJD-WKILWMFISA-N 2 1 340.512 1.240 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368111184 446647552 /nfs/dbraw/zinc/64/75/52/446647552.db2.gz GKUKGCBBSALXHS-RBUKOAKNSA-N 2 1 327.472 1.797 20 0 EDADMP [NH3+]CC[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(F)F ZINC000418699011 446653496 /nfs/dbraw/zinc/65/34/96/446653496.db2.gz AIJOVZXXZWZPEG-AWEZNQCLSA-N 2 1 326.391 1.496 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(F)CC[NH2+]C3)cc2)C1 ZINC000376693871 446656758 /nfs/dbraw/zinc/65/67/58/446656758.db2.gz CUZCATQZPBGZNO-KDOFPFPSSA-N 2 1 348.422 1.024 20 0 EDADMP CN1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000371090268 446622185 /nfs/dbraw/zinc/62/21/85/446622185.db2.gz WUETYFZWHTZVGO-KBXCAEBGSA-N 2 1 328.460 1.957 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000371090268 446622191 /nfs/dbraw/zinc/62/21/91/446622191.db2.gz WUETYFZWHTZVGO-KBXCAEBGSA-N 2 1 328.460 1.957 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000371090268 446622197 /nfs/dbraw/zinc/62/21/97/446622197.db2.gz WUETYFZWHTZVGO-KBXCAEBGSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000371090268 446622203 /nfs/dbraw/zinc/62/22/03/446622203.db2.gz WUETYFZWHTZVGO-KBXCAEBGSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000371090268 446622211 /nfs/dbraw/zinc/62/22/11/446622211.db2.gz WUETYFZWHTZVGO-KBXCAEBGSA-N 2 1 328.460 1.957 20 0 EDADMP Cc1cc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]n1 ZINC000371094012 446625085 /nfs/dbraw/zinc/62/50/85/446625085.db2.gz NKOQBLLLFDNGOO-UHFFFAOYSA-N 2 1 333.480 1.644 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC[NH+](CC(C)(C)O)CC2)C[N@H+]1C1CC1 ZINC000375277867 446688045 /nfs/dbraw/zinc/68/80/45/446688045.db2.gz YOJPDPBGIFCFMR-LSDHHAIUSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)C[NH+]1C1CC1 ZINC000375277867 446688051 /nfs/dbraw/zinc/68/80/51/446688051.db2.gz YOJPDPBGIFCFMR-LSDHHAIUSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)C[NH+]1C1CC1 ZINC000375277867 446688055 /nfs/dbraw/zinc/68/80/55/446688055.db2.gz YOJPDPBGIFCFMR-LSDHHAIUSA-N 2 1 338.496 1.100 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])CC2)cn1 ZINC000423760061 446689170 /nfs/dbraw/zinc/68/91/70/446689170.db2.gz PVGBAOGNTCPSRL-WMZOPIPTSA-N 2 1 333.480 1.362 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])CC2)cn1 ZINC000423760061 446689176 /nfs/dbraw/zinc/68/91/76/446689176.db2.gz PVGBAOGNTCPSRL-WMZOPIPTSA-N 2 1 333.480 1.362 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[NH2+][C@H]3C)CC2)cn1 ZINC000423762544 446690833 /nfs/dbraw/zinc/69/08/33/446690833.db2.gz SPSVWVDQPZDTEG-DOTOQJQBSA-N 2 1 333.480 1.325 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[NH2+][C@H]3C)CC2)cn1 ZINC000423762544 446690841 /nfs/dbraw/zinc/69/08/41/446690841.db2.gz SPSVWVDQPZDTEG-DOTOQJQBSA-N 2 1 333.480 1.325 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1 ZINC000423763498 446693161 /nfs/dbraw/zinc/69/31/61/446693161.db2.gz UUBXGCCQABISPQ-SJORKVTESA-N 2 1 333.480 1.325 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1 ZINC000423763498 446693164 /nfs/dbraw/zinc/69/31/64/446693164.db2.gz UUBXGCCQABISPQ-SJORKVTESA-N 2 1 333.480 1.325 20 0 EDADMP C[C@H](CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000423766503 446694585 /nfs/dbraw/zinc/69/45/85/446694585.db2.gz WAOAMRNLVKRXFN-NCOADZHNSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@H](CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000423766503 446694589 /nfs/dbraw/zinc/69/45/89/446694589.db2.gz WAOAMRNLVKRXFN-NCOADZHNSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423843422 446726871 /nfs/dbraw/zinc/72/68/71/446726871.db2.gz MRKZOOGPORIMBX-QGZVFWFLSA-N 2 1 346.519 1.826 20 0 EDADMP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCCN1CCC([NH3+])CC1 ZINC000423843422 446726875 /nfs/dbraw/zinc/72/68/75/446726875.db2.gz MRKZOOGPORIMBX-QGZVFWFLSA-N 2 1 346.519 1.826 20 0 EDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000418760193 446679161 /nfs/dbraw/zinc/67/91/61/446679161.db2.gz GYYZAOFZIPWZSD-OWSLCNJRSA-N 2 1 346.475 1.048 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000423750605 446679496 /nfs/dbraw/zinc/67/94/96/446679496.db2.gz XSZBYCKCPSZLNU-ZIFCJYIRSA-N 2 1 334.508 1.005 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000423749786 446679845 /nfs/dbraw/zinc/67/98/45/446679845.db2.gz SHDXVHULHVVMSL-BZUAXINKSA-N 2 1 339.480 1.108 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)C[C@H]2COCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000423890148 446747104 /nfs/dbraw/zinc/74/71/04/446747104.db2.gz ABAMGOOZZDBSFB-NEWSRXKRSA-N 2 1 345.487 1.782 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CCOCC2)[C@@H]1c1cccs1 ZINC000375369310 446753599 /nfs/dbraw/zinc/75/35/99/446753599.db2.gz XABWXUCPTMYBBB-DZGCQCFKSA-N 2 1 337.489 1.613 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000423934081 446785991 /nfs/dbraw/zinc/78/59/91/446785991.db2.gz USZTUMVGQMQYBK-QRFRQXIXSA-N 2 1 345.487 1.954 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000423934081 446785997 /nfs/dbraw/zinc/78/59/97/446785997.db2.gz USZTUMVGQMQYBK-QRFRQXIXSA-N 2 1 345.487 1.954 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C[NH3+])C1CCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000423936237 446787758 /nfs/dbraw/zinc/78/77/58/446787758.db2.gz BXKZVHQSTNUFMZ-SRABZTEZSA-N 2 1 325.497 1.754 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc2)CC1 ZINC000423954454 446796718 /nfs/dbraw/zinc/79/67/18/446796718.db2.gz NDYLMOJMWQBTCM-QGZVFWFLSA-N 2 1 332.492 1.537 20 0 EDADMP C[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCCC[C@@H]1C ZINC000438695797 446797004 /nfs/dbraw/zinc/79/70/04/446797004.db2.gz LUGVEPRIBLRNKE-GJZGRUSLSA-N 2 1 336.484 1.829 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371283928 446741821 /nfs/dbraw/zinc/74/18/21/446741821.db2.gz MWVFMXBNZWHAFF-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371283928 446741827 /nfs/dbraw/zinc/74/18/27/446741827.db2.gz MWVFMXBNZWHAFF-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP COC(=O)CCNC(=O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375478724 446832100 /nfs/dbraw/zinc/83/21/00/446832100.db2.gz SDCFMSFVQBQCFT-VQIMIIECSA-N 2 1 347.459 1.338 20 0 EDADMP COC(=O)CCNC(=O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375478724 446832103 /nfs/dbraw/zinc/83/21/03/446832103.db2.gz SDCFMSFVQBQCFT-VQIMIIECSA-N 2 1 347.459 1.338 20 0 EDADMP C[C@@H]1CCCN(c2cc(N3C[C@@H](C)N(CCO)C[C@H]3C)ncn2)C1 ZINC000418994392 446853302 /nfs/dbraw/zinc/85/33/02/446853302.db2.gz BQBLQBSLTSHBQF-BZUAXINKSA-N 2 1 333.480 1.604 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c2n1CCCC2 ZINC000371449577 446863946 /nfs/dbraw/zinc/86/39/46/446863946.db2.gz WLXIAVQYCWKCDD-MLGOLLRUSA-N 2 1 331.464 1.810 20 0 EDADMP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1(C)C ZINC000424215427 446863950 /nfs/dbraw/zinc/86/39/50/446863950.db2.gz GDKZSGYFPKIBDV-KSSFIOAISA-N 2 1 341.496 1.088 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c2n1CCCC2 ZINC000371449577 446863957 /nfs/dbraw/zinc/86/39/57/446863957.db2.gz WLXIAVQYCWKCDD-MLGOLLRUSA-N 2 1 331.464 1.810 20 0 EDADMP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C(=O)OC ZINC000424286536 446867662 /nfs/dbraw/zinc/86/76/62/446867662.db2.gz HEGQDYDSOLNLLF-SQWLQELKSA-N 2 1 339.480 1.154 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419021520 446870609 /nfs/dbraw/zinc/87/06/09/446870609.db2.gz HALWTIFACLFCTJ-QLFBSQMISA-N 2 1 340.512 1.103 20 0 EDADMP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420925266 446895629 /nfs/dbraw/zinc/89/56/29/446895629.db2.gz VOEFVZBVWDAEDE-MAUKXSAKSA-N 2 1 332.444 1.902 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420925266 446895633 /nfs/dbraw/zinc/89/56/33/446895633.db2.gz VOEFVZBVWDAEDE-MAUKXSAKSA-N 2 1 332.444 1.902 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)CC1 ZINC000368509081 446909447 /nfs/dbraw/zinc/90/94/47/446909447.db2.gz XLFIHCHEBMQLCD-OALUTQOASA-N 2 1 338.540 1.198 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419100471 446924313 /nfs/dbraw/zinc/92/43/13/446924313.db2.gz BUXUKROWORKHMY-PVAVHDDUSA-N 2 1 346.475 1.009 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419101791 446924633 /nfs/dbraw/zinc/92/46/33/446924633.db2.gz DDQTVEZYBMMCSW-ODIFPOPNSA-N 2 1 346.475 1.009 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)CC1 ZINC000377113804 446929103 /nfs/dbraw/zinc/92/91/03/446929103.db2.gz KXOBAMMXUUMFQI-QZTJIDSGSA-N 2 1 337.508 1.473 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)CC1 ZINC000377113804 446929109 /nfs/dbraw/zinc/92/91/09/446929109.db2.gz KXOBAMMXUUMFQI-QZTJIDSGSA-N 2 1 337.508 1.473 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000442763201 446954841 /nfs/dbraw/zinc/95/48/41/446954841.db2.gz AUZBRNUPYKTPNA-HOTGVXAUSA-N 2 1 341.459 1.217 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000442763201 446954848 /nfs/dbraw/zinc/95/48/48/446954848.db2.gz AUZBRNUPYKTPNA-HOTGVXAUSA-N 2 1 341.459 1.217 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442799199 446972249 /nfs/dbraw/zinc/97/22/49/446972249.db2.gz YYKLBEZIXMURLL-UKRRQHHQSA-N 2 1 335.448 1.331 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442799199 446972256 /nfs/dbraw/zinc/97/22/56/446972256.db2.gz YYKLBEZIXMURLL-UKRRQHHQSA-N 2 1 335.448 1.331 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000419228452 447020280 /nfs/dbraw/zinc/02/02/80/447020280.db2.gz VEAISYJGPFIMOV-HNNXBMFYSA-N 2 1 344.459 1.091 20 0 EDADMP Cn1cncc1CNC(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000368629788 446991524 /nfs/dbraw/zinc/99/15/24/446991524.db2.gz BVNJUYOSBDEKRT-UHFFFAOYSA-N 2 1 335.452 1.064 20 0 EDADMP Cc1cnn(C)c1C[NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1 ZINC000375766137 447033034 /nfs/dbraw/zinc/03/30/34/447033034.db2.gz ZTGQZCCWSSVQGG-UHFFFAOYSA-N 2 1 345.495 1.202 20 0 EDADMP Cc1cnn(C)c1C[NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1 ZINC000375766137 447033036 /nfs/dbraw/zinc/03/30/36/447033036.db2.gz ZTGQZCCWSSVQGG-UHFFFAOYSA-N 2 1 345.495 1.202 20 0 EDADMP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372355141 447046982 /nfs/dbraw/zinc/04/69/82/447046982.db2.gz HKCOYPPAIMQYDM-GOSISDBHSA-N 2 1 328.460 1.611 20 0 EDADMP COc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375802676 447063122 /nfs/dbraw/zinc/06/31/22/447063122.db2.gz VQCDYMUFKJFVSS-KZNAEPCWSA-N 2 1 331.460 1.887 20 0 EDADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1(C)C ZINC000375873257 447113261 /nfs/dbraw/zinc/11/32/61/447113261.db2.gz OATGNCCQKFMHHK-OKZBNKHCSA-N 2 1 339.524 1.575 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000413227558 447079587 /nfs/dbraw/zinc/07/95/87/447079587.db2.gz JSJWKYJYCAYODT-QGZVFWFLSA-N 2 1 348.491 1.911 20 0 EDADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)C2 ZINC000455475061 447139713 /nfs/dbraw/zinc/13/97/13/447139713.db2.gz MZHDWHWPSJJCDT-CSNJMZFVSA-N 2 1 334.508 1.985 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](OC)C3CC3)CC2)CC1 ZINC000425407911 447149860 /nfs/dbraw/zinc/14/98/60/447149860.db2.gz SDSJFNLNVDKFPA-SFHVURJKSA-N 2 1 337.508 1.678 20 0 EDADMP CCC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000372574993 447154498 /nfs/dbraw/zinc/15/44/98/447154498.db2.gz ZIYDAILAKQSKHU-RYQLBKOJSA-N 2 1 349.523 1.992 20 0 EDADMP CN(C)c1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1C ZINC000425363533 447127439 /nfs/dbraw/zinc/12/74/39/447127439.db2.gz WOLUHKNYGOTJJA-GOSISDBHSA-N 2 1 343.475 1.343 20 0 EDADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000419432822 447173138 /nfs/dbraw/zinc/17/31/38/447173138.db2.gz YMWJEEHESVCQDY-GJZGRUSLSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000425458110 447173064 /nfs/dbraw/zinc/17/30/64/447173064.db2.gz MATOEXJTPKVFTI-RDJZCZTQSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000425458110 447173070 /nfs/dbraw/zinc/17/30/70/447173070.db2.gz MATOEXJTPKVFTI-RDJZCZTQSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455599694 447179513 /nfs/dbraw/zinc/17/95/13/447179513.db2.gz APOXUFMXGNQZPI-NVXWUHKLSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455599694 447179519 /nfs/dbraw/zinc/17/95/19/447179519.db2.gz APOXUFMXGNQZPI-NVXWUHKLSA-N 2 1 338.496 1.365 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000375965625 447180581 /nfs/dbraw/zinc/18/05/81/447180581.db2.gz RZSOHJOQBAUUFV-SFHVURJKSA-N 2 1 330.476 1.017 20 0 EDADMP C[C@@H](C(=O)NC1CCN(c2[nH+]ccn2C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000377567124 447210462 /nfs/dbraw/zinc/21/04/62/447210462.db2.gz POKKAMKAUHIXBL-KFWWJZLASA-N 2 1 333.480 1.766 20 0 EDADMP O[C@@H]1CC[C@@H]2C[NH+](C/C=C\C[N@@H+]3C[C@@H]4CC[C@H](O)C[C@@H]4C3)C[C@@H]2C1 ZINC000425530300 447215170 /nfs/dbraw/zinc/21/51/70/447215170.db2.gz ZGRXYRARIBYFES-CVWCVHPZSA-N 2 1 334.504 1.728 20 0 EDADMP O[C@@H]1CC[C@@H]2C[N@@H+](C/C=C\C[NH+]3C[C@@H]4CC[C@H](O)C[C@@H]4C3)C[C@@H]2C1 ZINC000425530300 447215173 /nfs/dbraw/zinc/21/51/73/447215173.db2.gz ZGRXYRARIBYFES-CVWCVHPZSA-N 2 1 334.504 1.728 20 0 EDADMP O[C@@H]1CC[C@@H]2C[N@H+](C/C=C\C[NH+]3C[C@@H]4CC[C@H](O)C[C@@H]4C3)C[C@@H]2C1 ZINC000425530300 447215176 /nfs/dbraw/zinc/21/51/76/447215176.db2.gz ZGRXYRARIBYFES-CVWCVHPZSA-N 2 1 334.504 1.728 20 0 EDADMP COCCSCCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376054750 447239311 /nfs/dbraw/zinc/23/93/11/447239311.db2.gz OLQURMZYVXGDIE-DLBZAZTESA-N 2 1 329.554 1.714 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)on1 ZINC000369045623 447284926 /nfs/dbraw/zinc/28/49/26/447284926.db2.gz ANMRUPFRLHCJBZ-DNVCBOLYSA-N 2 1 346.475 1.796 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cccc4nccn43)C2)CC1 ZINC000377630816 447256739 /nfs/dbraw/zinc/25/67/39/447256739.db2.gz TUNSMORZRQXRPX-KRWDZBQOSA-N 2 1 327.476 1.794 20 0 EDADMP CC(C)(CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000369027154 447272987 /nfs/dbraw/zinc/27/29/87/447272987.db2.gz MGHMIKGWMCWMDK-CVEARBPZSA-N 2 1 338.496 1.413 20 0 EDADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369028035 447274995 /nfs/dbraw/zinc/27/49/95/447274995.db2.gz NDYPKEYTZUSUJM-HOTGVXAUSA-N 2 1 338.496 1.412 20 0 EDADMP O=C(NCC1CC[NH+](C2CC2)CC1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458707126 447458196 /nfs/dbraw/zinc/45/81/96/447458196.db2.gz NJNWIHJNMJJKBE-KRWDZBQOSA-N 2 1 338.496 1.007 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC000458732395 447465711 /nfs/dbraw/zinc/46/57/11/447465711.db2.gz SRNKIKJQBBKNPX-XYTVBORESA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCO1 ZINC000458732395 447465713 /nfs/dbraw/zinc/46/57/13/447465713.db2.gz SRNKIKJQBBKNPX-XYTVBORESA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC000458732395 447465716 /nfs/dbraw/zinc/46/57/16/447465716.db2.gz SRNKIKJQBBKNPX-XYTVBORESA-N 2 1 338.496 1.412 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495322443 447487621 /nfs/dbraw/zinc/48/76/21/447487621.db2.gz QJFJPQDUDQOIBF-WMLDXEAASA-N 2 1 327.469 1.432 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495322443 447487625 /nfs/dbraw/zinc/48/76/25/447487625.db2.gz QJFJPQDUDQOIBF-WMLDXEAASA-N 2 1 327.469 1.432 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)CC1 ZINC000426991052 447525057 /nfs/dbraw/zinc/52/50/57/447525057.db2.gz LGVFBOPPPOKEEY-LJQANCHMSA-N 2 1 348.535 1.630 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)CC1 ZINC000426991052 447525062 /nfs/dbraw/zinc/52/50/62/447525062.db2.gz LGVFBOPPPOKEEY-LJQANCHMSA-N 2 1 348.535 1.630 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)CC1 ZINC000426991052 447525068 /nfs/dbraw/zinc/52/50/68/447525068.db2.gz LGVFBOPPPOKEEY-LJQANCHMSA-N 2 1 348.535 1.630 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000427310436 447580109 /nfs/dbraw/zinc/58/01/09/447580109.db2.gz UIABPWCAALUUHM-XJKSGUPXSA-N 2 1 330.432 1.074 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000427310436 447580112 /nfs/dbraw/zinc/58/01/12/447580112.db2.gz UIABPWCAALUUHM-XJKSGUPXSA-N 2 1 330.432 1.074 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000457125430 447529628 /nfs/dbraw/zinc/52/96/28/447529628.db2.gz ODWGLKOZBPNFID-MRXNPFEDSA-N 2 1 331.460 1.421 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000457125430 447529633 /nfs/dbraw/zinc/52/96/33/447529633.db2.gz ODWGLKOZBPNFID-MRXNPFEDSA-N 2 1 331.460 1.421 20 0 EDADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H](C)C1 ZINC000459066137 447560724 /nfs/dbraw/zinc/56/07/24/447560724.db2.gz UURJXAIGFLDMEQ-HMQBUONMSA-N 2 1 334.508 1.983 20 0 EDADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)C1 ZINC000459066137 447560731 /nfs/dbraw/zinc/56/07/31/447560731.db2.gz UURJXAIGFLDMEQ-HMQBUONMSA-N 2 1 334.508 1.983 20 0 EDADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC000459066137 447560736 /nfs/dbraw/zinc/56/07/36/447560736.db2.gz UURJXAIGFLDMEQ-HMQBUONMSA-N 2 1 334.508 1.983 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000457816910 447639054 /nfs/dbraw/zinc/63/90/54/447639054.db2.gz SJKRGGHQQDYORN-XHSDSOJGSA-N 2 1 328.501 1.059 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000457823496 447642029 /nfs/dbraw/zinc/64/20/29/447642029.db2.gz XRPWQTOGMGEFLZ-JKSUJKDBSA-N 2 1 328.501 1.109 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000457562816 447597696 /nfs/dbraw/zinc/59/76/96/447597696.db2.gz AVONZPBELUBVOQ-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000427489707 447607242 /nfs/dbraw/zinc/60/72/42/447607242.db2.gz CYZATXHOEKWVQN-OAHLLOKOSA-N 2 1 333.480 1.292 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416917880 447708825 /nfs/dbraw/zinc/70/88/25/447708825.db2.gz JQGUUDXHFQWHNP-XHSDSOJGSA-N 2 1 340.512 1.515 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416917880 447708831 /nfs/dbraw/zinc/70/88/31/447708831.db2.gz JQGUUDXHFQWHNP-XHSDSOJGSA-N 2 1 340.512 1.515 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000416851502 447695160 /nfs/dbraw/zinc/69/51/60/447695160.db2.gz RDKKSXYUBKZGPW-ZBFHGGJFSA-N 2 1 334.464 1.691 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000416863141 447698269 /nfs/dbraw/zinc/69/82/69/447698269.db2.gz GRWXLHODKKWVDJ-QAPCUYQASA-N 2 1 348.491 1.862 20 0 EDADMP C[N@@H+](CCCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Cc1ccccc1 ZINC000416869771 447699416 /nfs/dbraw/zinc/69/94/16/447699416.db2.gz HJOXZJJKEIVITH-QZTJIDSGSA-N 2 1 330.476 1.759 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)[C@@H]1c1ccccc1 ZINC000422603275 447665500 /nfs/dbraw/zinc/66/55/00/447665500.db2.gz KOBUTOASEDLANC-IRXDYDNUSA-N 2 1 328.460 1.969 20 0 EDADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@]1(N2CCOCC2)CCSC1 ZINC000459471999 447678641 /nfs/dbraw/zinc/67/86/41/447678641.db2.gz OKKVHAFQBFJWJM-QGZVFWFLSA-N 2 1 325.522 1.411 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N(C)CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000416924830 447711062 /nfs/dbraw/zinc/71/10/62/447711062.db2.gz RRJPADCJJSJLAQ-KBPBESRZSA-N 2 1 328.501 1.501 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NCCC[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000416939071 447715776 /nfs/dbraw/zinc/71/57/76/447715776.db2.gz GNWAJBCUMVUMGN-XHSDSOJGSA-N 2 1 326.485 1.317 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416943618 447720202 /nfs/dbraw/zinc/72/02/02/447720202.db2.gz CLSXNEZXZQIMHJ-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416949137 447721978 /nfs/dbraw/zinc/72/19/78/447721978.db2.gz ZRICZSCXSNFSEF-HOTGVXAUSA-N 2 1 326.485 1.256 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000459639313 447728283 /nfs/dbraw/zinc/72/82/83/447728283.db2.gz KFPJUPXABGURJY-SJORKVTESA-N 2 1 332.492 1.935 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417266495 447739702 /nfs/dbraw/zinc/73/97/02/447739702.db2.gz JODONPWUPWLPEB-UKRRQHHQSA-N 2 1 334.489 1.500 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417266495 447739707 /nfs/dbraw/zinc/73/97/07/447739707.db2.gz JODONPWUPWLPEB-UKRRQHHQSA-N 2 1 334.489 1.500 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459726166 447753855 /nfs/dbraw/zinc/75/38/55/447753855.db2.gz GIQXMPMGJJEPKU-INIZCTEOSA-N 2 1 335.496 1.387 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000422828820 447762873 /nfs/dbraw/zinc/76/28/73/447762873.db2.gz BJPRXFZUMHTAQL-SFHVURJKSA-N 2 1 329.444 1.914 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422937831 447776999 /nfs/dbraw/zinc/77/69/99/447776999.db2.gz PAHAWXCXNGBPSE-HOTGVXAUSA-N 2 1 325.478 1.523 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1OC ZINC000430563624 447779469 /nfs/dbraw/zinc/77/94/69/447779469.db2.gz JNSYKYKHFVMUEF-GJZGRUSLSA-N 2 1 349.475 1.721 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1OC ZINC000430563624 447779471 /nfs/dbraw/zinc/77/94/71/447779471.db2.gz JNSYKYKHFVMUEF-GJZGRUSLSA-N 2 1 349.475 1.721 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@H]1C ZINC000430800445 447786329 /nfs/dbraw/zinc/78/63/29/447786329.db2.gz QYLSGTJCHBSGNM-CZUORRHYSA-N 2 1 348.495 1.456 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000462012154 447798129 /nfs/dbraw/zinc/79/81/29/447798129.db2.gz SUOOXTIEZXAFMT-ZACQAIPSSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000462012154 447798131 /nfs/dbraw/zinc/79/81/31/447798131.db2.gz SUOOXTIEZXAFMT-ZACQAIPSSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000462012154 447798132 /nfs/dbraw/zinc/79/81/32/447798132.db2.gz SUOOXTIEZXAFMT-ZACQAIPSSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423110003 447807004 /nfs/dbraw/zinc/80/70/04/447807004.db2.gz OJGHJRDGUPGHHC-HOTGVXAUSA-N 3 1 325.497 1.772 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423110003 447807005 /nfs/dbraw/zinc/80/70/05/447807005.db2.gz OJGHJRDGUPGHHC-HOTGVXAUSA-N 3 1 325.497 1.772 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487674883 447836046 /nfs/dbraw/zinc/83/60/46/447836046.db2.gz KWXURIJPRHSSIT-USXIJHARSA-N 2 1 340.512 1.394 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CCSC1 ZINC000489445868 447857392 /nfs/dbraw/zinc/85/73/92/447857392.db2.gz ZWPAWIVOURZITH-CVEARBPZSA-N 2 1 326.510 1.161 20 0 EDADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574955 447864732 /nfs/dbraw/zinc/86/47/32/447864732.db2.gz TXYRIOCTCCULIF-FZMWSMFESA-N 2 1 334.508 1.841 20 0 EDADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574955 447864734 /nfs/dbraw/zinc/86/47/34/447864734.db2.gz TXYRIOCTCCULIF-FZMWSMFESA-N 2 1 334.508 1.841 20 0 EDADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574955 447864739 /nfs/dbraw/zinc/86/47/39/447864739.db2.gz TXYRIOCTCCULIF-FZMWSMFESA-N 2 1 334.508 1.841 20 0 EDADMP CN(C[C@@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1)C(=O)OC(C)(C)C ZINC000496729739 447861579 /nfs/dbraw/zinc/86/15/79/447861579.db2.gz FNUOBBKBUZDKEC-GPANFISMSA-N 2 1 341.496 1.821 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000496821279 447941602 /nfs/dbraw/zinc/94/16/02/447941602.db2.gz PSKRLTYMMZYJRD-DLBZAZTESA-N 2 1 341.496 1.822 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000576004491 447949794 /nfs/dbraw/zinc/94/97/94/447949794.db2.gz ZAKCQQRSVQPWLO-HNNXBMFYSA-N 2 1 346.479 1.128 20 0 EDADMP C[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000570187727 447961302 /nfs/dbraw/zinc/96/13/02/447961302.db2.gz MKHKDFIMLTWKKD-JCGIZDLHSA-N 2 1 346.475 1.312 20 0 EDADMP C[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000570187727 447961307 /nfs/dbraw/zinc/96/13/07/447961307.db2.gz MKHKDFIMLTWKKD-JCGIZDLHSA-N 2 1 346.475 1.312 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000575920845 447927515 /nfs/dbraw/zinc/92/75/15/447927515.db2.gz SOWUFSPIJUQCAG-UHFFFAOYSA-N 2 1 347.507 1.362 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552034778 447930603 /nfs/dbraw/zinc/93/06/03/447930603.db2.gz XLMBTFFKMBCWRH-YESZJQIVSA-N 2 1 337.489 1.427 20 0 EDADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000570280580 447977079 /nfs/dbraw/zinc/97/70/79/447977079.db2.gz DBVKAPLJOMQVGR-AEFFLSMTSA-N 2 1 346.475 1.131 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000525477603 448001105 /nfs/dbraw/zinc/00/11/05/448001105.db2.gz YOBDIWOWPSKMEY-RTBURBONSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000525477603 448001112 /nfs/dbraw/zinc/00/11/12/448001112.db2.gz YOBDIWOWPSKMEY-RTBURBONSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000525477603 448001117 /nfs/dbraw/zinc/00/11/17/448001117.db2.gz YOBDIWOWPSKMEY-RTBURBONSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000525477603 448001124 /nfs/dbraw/zinc/00/11/24/448001124.db2.gz YOBDIWOWPSKMEY-RTBURBONSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCC[N@H+]1C ZINC000491375371 448007152 /nfs/dbraw/zinc/00/71/52/448007152.db2.gz NZYZNMQMQLAWFP-HIFRSBDPSA-N 2 1 334.468 1.754 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1(CCO)CC[NH+](C)CC1 ZINC000570411457 448008798 /nfs/dbraw/zinc/00/87/98/448008798.db2.gz ORAHNSBKLPRHHW-PKOBYXMFSA-N 2 1 331.504 1.943 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496849098 447966908 /nfs/dbraw/zinc/96/69/08/447966908.db2.gz BMKPIXICYWWUEB-HOCLYGCPSA-N 2 1 341.496 1.678 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496849098 447966914 /nfs/dbraw/zinc/96/69/14/447966914.db2.gz BMKPIXICYWWUEB-HOCLYGCPSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496849098 447966919 /nfs/dbraw/zinc/96/69/19/447966919.db2.gz BMKPIXICYWWUEB-HOCLYGCPSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496849098 447966924 /nfs/dbraw/zinc/96/69/24/447966924.db2.gz BMKPIXICYWWUEB-HOCLYGCPSA-N 2 1 341.496 1.678 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000570593892 448036168 /nfs/dbraw/zinc/03/61/68/448036168.db2.gz QHDZLSLYZSMUBP-MRXNPFEDSA-N 2 1 349.479 1.111 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496936228 448050559 /nfs/dbraw/zinc/05/05/59/448050559.db2.gz DHXXNYJYTGWDHI-UHFFFAOYSA-N 2 1 326.485 1.175 20 0 EDADMP CCC[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccccc1OC ZINC000570721903 448055039 /nfs/dbraw/zinc/05/50/39/448055039.db2.gz UJBVRESJADPPJK-UHFFFAOYSA-N 2 1 334.464 1.251 20 0 EDADMP CCC[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccccc1OC ZINC000570721903 448055043 /nfs/dbraw/zinc/05/50/43/448055043.db2.gz UJBVRESJADPPJK-UHFFFAOYSA-N 2 1 334.464 1.251 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000531482133 448091361 /nfs/dbraw/zinc/09/13/61/448091361.db2.gz LBAOEBVAIJAKTQ-IXDOHACOSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000531482133 448091366 /nfs/dbraw/zinc/09/13/66/448091366.db2.gz LBAOEBVAIJAKTQ-IXDOHACOSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000531482133 448091371 /nfs/dbraw/zinc/09/13/71/448091371.db2.gz LBAOEBVAIJAKTQ-IXDOHACOSA-N 2 1 340.512 1.515 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@@H+](C)C1 ZINC000501267198 448093707 /nfs/dbraw/zinc/09/37/07/448093707.db2.gz RCYZNEVNARIXJS-HRCADAONSA-N 2 1 342.528 1.713 20 0 EDADMP CCc1cc(N2CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2)ncn1 ZINC000576631078 448100763 /nfs/dbraw/zinc/10/07/63/448100763.db2.gz YITBCCQSWKPVTO-WBVHZDCISA-N 2 1 333.480 1.053 20 0 EDADMP CCc1cc(N2CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2)ncn1 ZINC000576631078 448100768 /nfs/dbraw/zinc/10/07/68/448100768.db2.gz YITBCCQSWKPVTO-WBVHZDCISA-N 2 1 333.480 1.053 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC000502583512 448101343 /nfs/dbraw/zinc/10/13/43/448101343.db2.gz BBSVLSLJHDMVPI-NZSAHSFTSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000502583512 448101347 /nfs/dbraw/zinc/10/13/47/448101347.db2.gz BBSVLSLJHDMVPI-NZSAHSFTSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000502583512 448101353 /nfs/dbraw/zinc/10/13/53/448101353.db2.gz BBSVLSLJHDMVPI-NZSAHSFTSA-N 2 1 349.519 1.963 20 0 EDADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000576706158 448120070 /nfs/dbraw/zinc/12/00/70/448120070.db2.gz CHUWLJUPODNQLY-CRAIPNDOSA-N 2 1 337.508 1.819 20 0 EDADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000576704475 448120623 /nfs/dbraw/zinc/12/06/23/448120623.db2.gz UMQHGMARHBZZDJ-UXHICEINSA-N 3 1 330.520 1.564 20 0 EDADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000576704475 448120628 /nfs/dbraw/zinc/12/06/28/448120628.db2.gz UMQHGMARHBZZDJ-UXHICEINSA-N 2 1 330.520 1.564 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(O)(C[NH3+])CC2)cc1)C(C)C ZINC000576754469 448132702 /nfs/dbraw/zinc/13/27/02/448132702.db2.gz QVOHJWDEBYJEJO-UHFFFAOYSA-N 2 1 333.476 1.843 20 0 EDADMP O=C(CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)Nc1cccnc1 ZINC000576879877 448161958 /nfs/dbraw/zinc/16/19/58/448161958.db2.gz QIJPQZGEVYPMLP-UHFFFAOYSA-N 2 1 332.448 1.237 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCC1 ZINC000527076238 448153563 /nfs/dbraw/zinc/15/35/63/448153563.db2.gz OPJBBDNMDRKWMF-HOTGVXAUSA-N 2 1 338.496 1.413 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532172559 448211743 /nfs/dbraw/zinc/21/17/43/448211743.db2.gz MGMMXUGBTNZANH-OIISXLGYSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532172559 448211745 /nfs/dbraw/zinc/21/17/45/448211745.db2.gz MGMMXUGBTNZANH-OIISXLGYSA-N 2 1 336.480 1.166 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CC=CCC2)C[C@@H](C)O1 ZINC000527507747 448241339 /nfs/dbraw/zinc/24/13/39/448241339.db2.gz RXMZSUIGUBBZPU-HZPDHXFCSA-N 2 1 338.496 1.435 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CC=CCC2)C[C@@H](C)O1 ZINC000527507747 448241345 /nfs/dbraw/zinc/24/13/45/448241345.db2.gz RXMZSUIGUBBZPU-HZPDHXFCSA-N 2 1 338.496 1.435 20 0 EDADMP COC[C@@]1(CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CCC[NH2+]1 ZINC000514850235 448214226 /nfs/dbraw/zinc/21/42/26/448214226.db2.gz OXCFOBNCEKXUCX-YJBOKZPZSA-N 2 1 338.496 1.271 20 0 EDADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000532537737 448271278 /nfs/dbraw/zinc/27/12/78/448271278.db2.gz DCLCSDOLDGQVLK-CYBMUJFWSA-N 2 1 335.500 1.633 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000532537737 448271282 /nfs/dbraw/zinc/27/12/82/448271282.db2.gz DCLCSDOLDGQVLK-CYBMUJFWSA-N 2 1 335.500 1.633 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1OC(F)F ZINC000572026528 448266017 /nfs/dbraw/zinc/26/60/17/448266017.db2.gz SIKIUEBAZHDFSN-JTQLQIEISA-N 2 1 331.338 1.510 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000572114068 448289157 /nfs/dbraw/zinc/28/91/57/448289157.db2.gz BGZWKVBPTWCRPY-KRWDZBQOSA-N 2 1 335.492 1.350 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](CC2CC2)C(C)C)C1 ZINC000532667393 448292937 /nfs/dbraw/zinc/29/29/37/448292937.db2.gz BOGHINSNAMSJHV-QGZVFWFLSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](CC2CC2)C(C)C)C1 ZINC000532667393 448292940 /nfs/dbraw/zinc/29/29/40/448292940.db2.gz BOGHINSNAMSJHV-QGZVFWFLSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](CC2CC2)C(C)C)C1 ZINC000532667393 448292943 /nfs/dbraw/zinc/29/29/43/448292943.db2.gz BOGHINSNAMSJHV-QGZVFWFLSA-N 2 1 325.497 1.580 20 0 EDADMP Cc1ncc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)n1C ZINC000572304605 448341444 /nfs/dbraw/zinc/34/14/44/448341444.db2.gz VPQPRWATCVQCQR-INIZCTEOSA-N 2 1 333.505 1.868 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCc2nnnn2CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572391245 448365266 /nfs/dbraw/zinc/36/52/66/448365266.db2.gz XVFWPTMUBPNWST-CGTJXYLNSA-N 2 1 340.475 1.878 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000582910611 448377315 /nfs/dbraw/zinc/37/73/15/448377315.db2.gz NBCCTUJHVGMION-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)CC12CCOCC2 ZINC000566245334 448429464 /nfs/dbraw/zinc/42/94/64/448429464.db2.gz NWDROPXMXBRKOM-OAHLLOKOSA-N 2 1 335.423 1.129 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2)CC12CCOCC2 ZINC000566245334 448429470 /nfs/dbraw/zinc/42/94/70/448429470.db2.gz NWDROPXMXBRKOM-OAHLLOKOSA-N 2 1 335.423 1.129 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000578010984 448439482 /nfs/dbraw/zinc/43/94/82/448439482.db2.gz KMDLTOJUENXBTK-HOTGVXAUSA-N 2 1 326.529 1.400 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000578010986 448439812 /nfs/dbraw/zinc/43/98/12/448439812.db2.gz KMDLTOJUENXBTK-JKSUJKDBSA-N 2 1 326.529 1.400 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000578024233 448443544 /nfs/dbraw/zinc/44/35/44/448443544.db2.gz RHQDGNVETHUMRW-IEBWSBKVSA-N 2 1 344.503 1.261 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)nn1 ZINC000566351701 448451586 /nfs/dbraw/zinc/45/15/86/448451586.db2.gz YDDZKEFIFVPLLU-GOSISDBHSA-N 3 1 326.448 1.220 20 0 EDADMP CC[NH2+]CCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000516634756 448453228 /nfs/dbraw/zinc/45/32/28/448453228.db2.gz AWEXUMQMAXMIHS-QZTJIDSGSA-N 2 1 348.491 1.168 20 0 EDADMP C[C@@H](CNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)[N@H+]1CCC[C@@H](C)C1 ZINC000578117346 448463293 /nfs/dbraw/zinc/46/32/93/448463293.db2.gz UUKQWAWVOTUWIV-TWMKSMIVSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000516862187 448484744 /nfs/dbraw/zinc/48/47/44/448484744.db2.gz NZFSKSPIXIVPTF-HXUWFJFHSA-N 2 1 348.535 1.225 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000516862187 448484749 /nfs/dbraw/zinc/48/47/49/448484749.db2.gz NZFSKSPIXIVPTF-HXUWFJFHSA-N 2 1 348.535 1.225 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C2CC2)c1 ZINC000528334884 448490383 /nfs/dbraw/zinc/49/03/83/448490383.db2.gz KXDAQLJGTITYFE-KRWDZBQOSA-N 2 1 333.480 1.706 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000578520168 448567951 /nfs/dbraw/zinc/56/79/51/448567951.db2.gz RKLBNZCXDRRONN-BBWFWOEESA-N 2 1 337.533 1.947 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccsc1 ZINC000573414173 448617473 /nfs/dbraw/zinc/61/74/73/448617473.db2.gz BLZFCBCGVYGMLW-WFASDCNBSA-N 2 1 333.461 1.931 20 0 EDADMP Cn1ccnc1[C@@H]1CC[N@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000573263252 448583090 /nfs/dbraw/zinc/58/30/90/448583090.db2.gz OBTSKDGRONHUCV-CYBMUJFWSA-N 2 1 334.370 1.804 20 0 EDADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000573263252 448583094 /nfs/dbraw/zinc/58/30/94/448583094.db2.gz OBTSKDGRONHUCV-CYBMUJFWSA-N 2 1 334.370 1.804 20 0 EDADMP COc1ncc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000517553768 448591182 /nfs/dbraw/zinc/59/11/82/448591182.db2.gz UVQWMVYVKCXWDS-VHDGCEQUSA-N 2 1 325.840 1.990 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCc3ccccc3NC2=O)CC12CCOCC2 ZINC000584840364 448652938 /nfs/dbraw/zinc/65/29/38/448652938.db2.gz ZYHFDOSNAZYIEU-WBVHZDCISA-N 2 1 329.444 1.627 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000518214979 448655446 /nfs/dbraw/zinc/65/54/46/448655446.db2.gz ILSVBGYQNTWHCV-RTBURBONSA-N 2 1 345.487 1.472 20 0 EDADMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000518214979 448655448 /nfs/dbraw/zinc/65/54/48/448655448.db2.gz ILSVBGYQNTWHCV-RTBURBONSA-N 2 1 345.487 1.472 20 0 EDADMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518214979 448655451 /nfs/dbraw/zinc/65/54/51/448655451.db2.gz ILSVBGYQNTWHCV-RTBURBONSA-N 2 1 345.487 1.472 20 0 EDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NC3C[NH2+]C3)c2C1 ZINC000573694165 448693181 /nfs/dbraw/zinc/69/31/81/448693181.db2.gz TXNCHIGQEZKHQH-LBPRGKRZSA-N 2 1 330.432 1.073 20 0 EDADMP COC[C@@]1(CNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CCC[NH2+]1 ZINC000573786130 448710888 /nfs/dbraw/zinc/71/08/88/448710888.db2.gz AMRQRWLCJUVBSA-PBHICJAKSA-N 2 1 326.485 1.175 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[N@H+]2CCN(C)C3(CCCCC3)C2)C[C@H](C)O1 ZINC000573979177 448761491 /nfs/dbraw/zinc/76/14/91/448761491.db2.gz LSGUQJURJHBORZ-FGTMMUONSA-N 2 1 339.524 1.407 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[NH+](C)C3(CCCCC3)C2)C[C@H](C)O1 ZINC000573979177 448761495 /nfs/dbraw/zinc/76/14/95/448761495.db2.gz LSGUQJURJHBORZ-FGTMMUONSA-N 2 1 339.524 1.407 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[NH+](C)C3(CCCCC3)C2)C[C@H](C)O1 ZINC000573979177 448761498 /nfs/dbraw/zinc/76/14/98/448761498.db2.gz LSGUQJURJHBORZ-FGTMMUONSA-N 2 1 339.524 1.407 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000519358828 448762173 /nfs/dbraw/zinc/76/21/73/448762173.db2.gz HALAOZRGKUINJH-OJLVUWQFSA-N 2 1 334.489 1.477 20 0 EDADMP CN(C(=O)CC[N@H+]1CCc2ccccc2C1)[C@H]1C[NH+]2CCC1CC2 ZINC000519116237 448743352 /nfs/dbraw/zinc/74/33/52/448743352.db2.gz XYZSABWNLBFVNK-IBGZPJMESA-N 2 1 327.472 1.987 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000567773846 448757444 /nfs/dbraw/zinc/75/74/44/448757444.db2.gz PEMZPLYJUFLZFX-UHFFFAOYSA-N 2 1 336.484 1.209 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000574170700 448809834 /nfs/dbraw/zinc/80/98/34/448809834.db2.gz RMPGYNZPAWRCLX-HOCLYGCPSA-N 2 1 325.522 1.662 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)CC[N@H+]1C ZINC000574092016 448788821 /nfs/dbraw/zinc/78/88/21/448788821.db2.gz NRMMROVGTGMMAW-RDJZCZTQSA-N 2 1 344.463 1.376 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ncccc1OC ZINC000547469459 448885013 /nfs/dbraw/zinc/88/50/13/448885013.db2.gz ZEVMSTQWVGKTKH-OAHLLOKOSA-N 2 1 349.479 1.970 20 0 EDADMP CCC[C@H]1CN(C(=O)CCC2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000579715244 448860907 /nfs/dbraw/zinc/86/09/07/448860907.db2.gz UVZNZPLAFBFNNB-KRWDZBQOSA-N 2 1 325.497 1.726 20 0 EDADMP CCOc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000579827677 448887693 /nfs/dbraw/zinc/88/76/93/448887693.db2.gz UARWOIVUWDMMAI-DOTOQJQBSA-N 2 1 334.460 1.899 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)cc1 ZINC000521071434 448953319 /nfs/dbraw/zinc/95/33/19/448953319.db2.gz MIGQOCFYPLXNJT-QGZVFWFLSA-N 2 1 331.460 1.681 20 0 EDADMP COc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000521071434 448953323 /nfs/dbraw/zinc/95/33/23/448953323.db2.gz MIGQOCFYPLXNJT-QGZVFWFLSA-N 2 1 331.460 1.681 20 0 EDADMP COc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000521071434 448953326 /nfs/dbraw/zinc/95/33/26/448953326.db2.gz MIGQOCFYPLXNJT-QGZVFWFLSA-N 2 1 331.460 1.681 20 0 EDADMP CSC1(CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC[NH+](C)CC1 ZINC000589612523 449039123 /nfs/dbraw/zinc/03/91/23/449039123.db2.gz OXJDMWRDTYOLGY-OAHLLOKOSA-N 2 1 340.537 1.597 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592964169 449088026 /nfs/dbraw/zinc/08/80/26/449088026.db2.gz GSTAIEJSHLRWMX-HUUCEWRRSA-N 2 1 333.480 1.523 20 0 EDADMP COc1ccc([C@@H](C[NH3+])CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239864 449090276 /nfs/dbraw/zinc/09/02/76/449090276.db2.gz ILTYJRZPGCULGC-AZUAARDMSA-N 2 1 347.503 1.828 20 0 EDADMP COc1ccc([C@@H](CN)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239864 449090279 /nfs/dbraw/zinc/09/02/79/449090279.db2.gz ILTYJRZPGCULGC-AZUAARDMSA-N 2 1 347.503 1.828 20 0 EDADMP O=C1[C@H]([NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCN1CC(F)(F)F ZINC000530241941 449091814 /nfs/dbraw/zinc/09/18/14/449091814.db2.gz RXJFNQMJBKMPOE-ZIAGYGMSSA-N 2 1 349.397 1.240 20 0 EDADMP COC(=O)c1[nH]c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1C ZINC000590593878 449210083 /nfs/dbraw/zinc/21/00/83/449210083.db2.gz YAFUHLFPHQUHQY-UHFFFAOYSA-N 2 1 335.448 1.654 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH+]4CCCC[C@@H]34)C2)CC1 ZINC000604175759 449185211 /nfs/dbraw/zinc/18/52/11/449185211.db2.gz AFFAOUOJXHCCIA-SZMVWBNQSA-N 2 1 349.523 1.081 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC000604175759 449185213 /nfs/dbraw/zinc/18/52/13/449185213.db2.gz AFFAOUOJXHCCIA-SZMVWBNQSA-N 2 1 349.523 1.081 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC000604175759 449185218 /nfs/dbraw/zinc/18/52/18/449185218.db2.gz AFFAOUOJXHCCIA-SZMVWBNQSA-N 2 1 349.523 1.081 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC000604175759 449185223 /nfs/dbraw/zinc/18/52/23/449185223.db2.gz AFFAOUOJXHCCIA-SZMVWBNQSA-N 2 1 349.523 1.081 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC000604175759 449185225 /nfs/dbraw/zinc/18/52/25/449185225.db2.gz AFFAOUOJXHCCIA-SZMVWBNQSA-N 2 1 349.523 1.081 20 0 EDADMP COC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cs1 ZINC000595895192 449239338 /nfs/dbraw/zinc/23/93/38/449239338.db2.gz FMFCIXIBNCRBAI-CYBMUJFWSA-N 2 1 339.461 1.354 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cs1 ZINC000595895192 449239341 /nfs/dbraw/zinc/23/93/41/449239341.db2.gz FMFCIXIBNCRBAI-CYBMUJFWSA-N 2 1 339.461 1.354 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3-n3cncn3)C2)CC1 ZINC000611269137 449242911 /nfs/dbraw/zinc/24/29/11/449242911.db2.gz YQDMGHMEMAMHRX-GOSISDBHSA-N 2 1 340.475 1.479 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000601955126 449243471 /nfs/dbraw/zinc/24/34/71/449243471.db2.gz SLNLFAXIUGORJO-UYAOXDASSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000601955126 449243475 /nfs/dbraw/zinc/24/34/75/449243475.db2.gz SLNLFAXIUGORJO-UYAOXDASSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000601955126 449243479 /nfs/dbraw/zinc/24/34/79/449243479.db2.gz SLNLFAXIUGORJO-UYAOXDASSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000601955126 449243482 /nfs/dbraw/zinc/24/34/82/449243482.db2.gz SLNLFAXIUGORJO-UYAOXDASSA-N 2 1 346.471 1.899 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000590850052 449319792 /nfs/dbraw/zinc/31/97/92/449319792.db2.gz RFKOOFVQQLMRFR-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000605960188 449428706 /nfs/dbraw/zinc/42/87/06/449428706.db2.gz DILWYPRDEYKGSP-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000605960188 449428710 /nfs/dbraw/zinc/42/87/10/449428710.db2.gz DILWYPRDEYKGSP-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000605960188 449428714 /nfs/dbraw/zinc/42/87/14/449428714.db2.gz DILWYPRDEYKGSP-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000605960188 449428718 /nfs/dbraw/zinc/42/87/18/449428718.db2.gz DILWYPRDEYKGSP-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000606475812 449476203 /nfs/dbraw/zinc/47/62/03/449476203.db2.gz ASLAZDAGGBAJCG-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000606475812 449476209 /nfs/dbraw/zinc/47/62/09/449476209.db2.gz ASLAZDAGGBAJCG-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000606718266 449515901 /nfs/dbraw/zinc/51/59/01/449515901.db2.gz JQAUYIOKYRDAQA-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(C)(C)n3cncn3)C2)CC1 ZINC000602480544 449623694 /nfs/dbraw/zinc/62/36/94/449623694.db2.gz CRFUMZTUYYYPFN-IRXDYDNUSA-N 2 1 334.512 1.502 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)c1ccccc1 ZINC000614503908 449652063 /nfs/dbraw/zinc/65/20/63/449652063.db2.gz SUGNFMSTQARWHP-ROUUACIJSA-N 2 1 330.476 1.186 20 0 EDADMP CO[C@H]1CCC[C@@H](CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000617507221 449655536 /nfs/dbraw/zinc/65/55/36/449655536.db2.gz MTHQIVHRFWEDBE-BBWFWOEESA-N 2 1 327.513 1.970 20 0 EDADMP CO[C@H]1CCC[C@@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617507221 449655538 /nfs/dbraw/zinc/65/55/38/449655538.db2.gz MTHQIVHRFWEDBE-BBWFWOEESA-N 2 1 327.513 1.970 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ncoc1C(F)(F)F ZINC000617507590 449659023 /nfs/dbraw/zinc/65/90/23/449659023.db2.gz BKCBTKSJKLWWBE-JTQLQIEISA-N 2 1 336.358 1.695 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ncoc1C(F)(F)F ZINC000617507590 449659026 /nfs/dbraw/zinc/65/90/26/449659026.db2.gz BKCBTKSJKLWWBE-JTQLQIEISA-N 2 1 336.358 1.695 20 0 EDADMP CCOC(=O)c1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)on1 ZINC000602510715 449640575 /nfs/dbraw/zinc/64/05/75/449640575.db2.gz MFYINFDZXJRSCA-INIZCTEOSA-N 2 1 338.452 1.213 20 0 EDADMP COC(=O)c1csc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000602654018 449731798 /nfs/dbraw/zinc/73/17/98/449731798.db2.gz FYJYSDIYPBJKFS-UHFFFAOYSA-N 2 1 325.478 1.650 20 0 EDADMP COC(=O)c1cc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[nH]c1C ZINC000602655177 449732752 /nfs/dbraw/zinc/73/27/52/449732752.db2.gz FFOZJTDOVDHKTH-QGZVFWFLSA-N 2 1 348.491 1.710 20 0 EDADMP COC(=O)c1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]c1C ZINC000602655177 449732757 /nfs/dbraw/zinc/73/27/57/449732757.db2.gz FFOZJTDOVDHKTH-QGZVFWFLSA-N 2 1 348.491 1.710 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]c1C ZINC000602655177 449732761 /nfs/dbraw/zinc/73/27/61/449732761.db2.gz FFOZJTDOVDHKTH-QGZVFWFLSA-N 2 1 348.491 1.710 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000617700780 449745987 /nfs/dbraw/zinc/74/59/87/449745987.db2.gz LDESQOWNSSJMEO-FCEWJHQRSA-N 2 1 345.487 1.742 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617700780 449745992 /nfs/dbraw/zinc/74/59/92/449745992.db2.gz LDESQOWNSSJMEO-FCEWJHQRSA-N 2 1 345.487 1.742 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617700780 449746010 /nfs/dbraw/zinc/74/60/10/449746010.db2.gz LDESQOWNSSJMEO-FCEWJHQRSA-N 2 1 345.487 1.742 20 0 EDADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2)n1 ZINC000594874974 449789051 /nfs/dbraw/zinc/78/90/51/449789051.db2.gz CZLHJVTXAPDABQ-QZTJIDSGSA-N 2 1 339.443 1.233 20 0 EDADMP C[NH+]1CCN(CC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000608401206 449827093 /nfs/dbraw/zinc/82/70/93/449827093.db2.gz BWCZKQDOJXOMCV-LJQANCHMSA-N 2 1 344.503 1.577 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000601285856 449799480 /nfs/dbraw/zinc/79/94/80/449799480.db2.gz NJKRHWNEGVCLLW-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000601285856 449799481 /nfs/dbraw/zinc/79/94/81/449799481.db2.gz NJKRHWNEGVCLLW-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000601285856 449799482 /nfs/dbraw/zinc/79/94/82/449799482.db2.gz NJKRHWNEGVCLLW-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@]1(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000612902546 449933894 /nfs/dbraw/zinc/93/38/94/449933894.db2.gz BPKOCIQNBZTJEH-PKOBYXMFSA-N 2 1 346.475 1.329 20 0 EDADMP C[C@@H](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@H]1CCCO1 ZINC000613005121 449980568 /nfs/dbraw/zinc/98/05/68/449980568.db2.gz KMHPHJKMFWHTPP-QRXAFDDPSA-N 2 1 349.519 1.961 20 0 EDADMP Cc1nnc2n1C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000609260080 449990628 /nfs/dbraw/zinc/99/06/28/449990628.db2.gz INKRDMBDFZXNAP-MSOLQXFVSA-N 2 1 343.475 1.231 20 0 EDADMP Cc1nnc2n1C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC000609260080 449990637 /nfs/dbraw/zinc/99/06/37/449990637.db2.gz INKRDMBDFZXNAP-MSOLQXFVSA-N 2 1 343.475 1.231 20 0 EDADMP CC(C)CNC(=O)NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109712 450072602 /nfs/dbraw/zinc/07/26/02/450072602.db2.gz FLPVJTGEPVCLDQ-UHFFFAOYSA-N 2 1 326.485 1.666 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)CN(C)C2CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599584757 450086344 /nfs/dbraw/zinc/08/63/44/450086344.db2.gz WRLPIMDRDUMZIW-FVQBIDKESA-N 2 1 326.481 1.741 20 0 EDADMP CS[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[C@@H]1[NH+](C)C ZINC000599720450 450177832 /nfs/dbraw/zinc/17/78/32/450177832.db2.gz GYRQXBDFEAJBEG-MHORFTMASA-N 2 1 347.528 1.836 20 0 EDADMP CCc1cc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n2ncnc2n1 ZINC000603927545 450379619 /nfs/dbraw/zinc/37/96/19/450379619.db2.gz PNBAFTPNIWATHY-MRXNPFEDSA-N 2 1 343.479 1.291 20 0 EDADMP CCc1cc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n2ncnc2n1 ZINC000603927545 450379622 /nfs/dbraw/zinc/37/96/22/450379622.db2.gz PNBAFTPNIWATHY-MRXNPFEDSA-N 2 1 343.479 1.291 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2)CC1(C)C ZINC000623380803 450509493 /nfs/dbraw/zinc/50/94/93/450509493.db2.gz QMMMWCBYTLTQJW-AWEZNQCLSA-N 2 1 325.478 1.427 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2)CC1(C)C ZINC000623380803 450509496 /nfs/dbraw/zinc/50/94/96/450509496.db2.gz QMMMWCBYTLTQJW-AWEZNQCLSA-N 2 1 325.478 1.427 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000625852340 450522021 /nfs/dbraw/zinc/52/20/21/450522021.db2.gz AZEOZQKKJISGJW-APHBMKBZSA-N 2 1 345.447 1.008 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000625852340 450522022 /nfs/dbraw/zinc/52/20/22/450522022.db2.gz AZEOZQKKJISGJW-APHBMKBZSA-N 2 1 345.447 1.008 20 0 EDADMP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000620723667 450532891 /nfs/dbraw/zinc/53/28/91/450532891.db2.gz OZQHGTOGIUMWFH-SFHVURJKSA-N 2 1 332.492 1.259 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000620723667 450532893 /nfs/dbraw/zinc/53/28/93/450532893.db2.gz OZQHGTOGIUMWFH-SFHVURJKSA-N 2 1 332.492 1.259 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000620723667 450532894 /nfs/dbraw/zinc/53/28/94/450532894.db2.gz OZQHGTOGIUMWFH-SFHVURJKSA-N 2 1 332.492 1.259 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000620723667 450532896 /nfs/dbraw/zinc/53/28/96/450532896.db2.gz OZQHGTOGIUMWFH-SFHVURJKSA-N 2 1 332.492 1.259 20 0 EDADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)CC1(C)C ZINC000623507049 450534437 /nfs/dbraw/zinc/53/44/37/450534437.db2.gz VPUSLBYDLQSKPA-OAHLLOKOSA-N 2 1 340.489 1.415 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)CC1(C)C ZINC000623507049 450534439 /nfs/dbraw/zinc/53/44/39/450534439.db2.gz VPUSLBYDLQSKPA-OAHLLOKOSA-N 2 1 340.489 1.415 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625943346 450539166 /nfs/dbraw/zinc/53/91/66/450539166.db2.gz WVANAVOLCZJWGO-UHFFFAOYSA-N 2 1 336.436 1.258 20 0 EDADMP O=C([C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627268206 450606326 /nfs/dbraw/zinc/60/63/26/450606326.db2.gz YWUKMZVMIZJZLA-QYZOEREBSA-N 2 1 343.471 1.176 20 0 EDADMP O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000627268206 450606329 /nfs/dbraw/zinc/60/63/29/450606329.db2.gz YWUKMZVMIZJZLA-QYZOEREBSA-N 2 1 343.471 1.176 20 0 EDADMP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000627268206 450606333 /nfs/dbraw/zinc/60/63/33/450606333.db2.gz YWUKMZVMIZJZLA-QYZOEREBSA-N 2 1 343.471 1.176 20 0 EDADMP C[N@H+]1C[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000626200449 450621308 /nfs/dbraw/zinc/62/13/08/450621308.db2.gz MZJAZJWQMWXRIR-OTWHNJEPSA-N 2 1 345.487 1.295 20 0 EDADMP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000621014786 450573226 /nfs/dbraw/zinc/57/32/26/450573226.db2.gz GQDKCLJYAIYRRJ-HNNXBMFYSA-N 2 1 328.460 1.786 20 0 EDADMP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000621014786 450573229 /nfs/dbraw/zinc/57/32/29/450573229.db2.gz GQDKCLJYAIYRRJ-HNNXBMFYSA-N 2 1 328.460 1.786 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000635137934 450683243 /nfs/dbraw/zinc/68/32/43/450683243.db2.gz FEEBATGBBSFWPR-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000629553296 450732089 /nfs/dbraw/zinc/73/20/89/450732089.db2.gz GYCZXCYCDUJSRN-ZNMIVQPWSA-N 2 1 327.428 1.935 20 0 EDADMP O[C@@H](C[NH2+]Cc1cccc(COC2CCOCC2)c1)C[NH+]1CCCC1 ZINC000629560910 450735682 /nfs/dbraw/zinc/73/56/82/450735682.db2.gz GTHFXNMPUUWPTM-IBGZPJMESA-N 2 1 348.487 1.929 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000629568639 450741309 /nfs/dbraw/zinc/74/13/09/450741309.db2.gz RXZLVIZPTFHFJG-UHFFFAOYSA-N 2 1 333.354 1.812 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000629568639 450741312 /nfs/dbraw/zinc/74/13/12/450741312.db2.gz RXZLVIZPTFHFJG-UHFFFAOYSA-N 2 1 333.354 1.812 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000629568751 450741354 /nfs/dbraw/zinc/74/13/54/450741354.db2.gz WKBPFCFMXYKSKO-KGLIPLIRSA-N 2 1 325.428 1.559 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)CCOCC[NH3+] ZINC000629578395 450746348 /nfs/dbraw/zinc/74/63/48/450746348.db2.gz BTUIJGXOCOZRMW-UONOGXRCSA-N 2 1 325.478 1.707 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000635357480 450878076 /nfs/dbraw/zinc/87/80/76/450878076.db2.gz NPCPJRWNWRRYBB-GOSISDBHSA-N 2 1 331.460 1.477 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000635357480 450878081 /nfs/dbraw/zinc/87/80/81/450878081.db2.gz NPCPJRWNWRRYBB-GOSISDBHSA-N 2 1 331.460 1.477 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3ncc(C)o3)C2)CC[N@H+]1C ZINC000631945025 450902572 /nfs/dbraw/zinc/90/25/72/450902572.db2.gz NFUPLGAAZSGCAM-OWCLPIDISA-N 2 1 334.464 1.746 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCC[NH+](C)C2)C1 ZINC000624616450 450926371 /nfs/dbraw/zinc/92/63/71/450926371.db2.gz BTCKJTNRROBOAV-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC000624616450 450926374 /nfs/dbraw/zinc/92/63/74/450926374.db2.gz BTCKJTNRROBOAV-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000624616450 450926379 /nfs/dbraw/zinc/92/63/79/450926379.db2.gz BTCKJTNRROBOAV-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000633631869 450953511 /nfs/dbraw/zinc/95/35/11/450953511.db2.gz XZKGFTDHZZMBQF-INIZCTEOSA-N 2 1 333.480 1.582 20 0 EDADMP COc1cc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)ccc1OCC[NH+](C)C ZINC000635463644 450963860 /nfs/dbraw/zinc/96/38/60/450963860.db2.gz BOTNJCIMUXJACH-MRXNPFEDSA-N 2 1 349.475 1.594 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)N[C@@H]3CC[NH2+]C3)CCCCC2)CCO1 ZINC000626973729 451044201 /nfs/dbraw/zinc/04/42/01/451044201.db2.gz DGKQUWAMLLSNJZ-OAHLLOKOSA-N 2 1 338.496 1.461 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626975349 451045338 /nfs/dbraw/zinc/04/53/38/451045338.db2.gz SPYZUCAMQSMJRX-OAHLLOKOSA-N 2 1 340.512 1.694 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626960746 451035938 /nfs/dbraw/zinc/03/59/38/451035938.db2.gz WYTHELKUTLBZSD-RYUDHWBXSA-N 2 1 333.358 1.360 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000627014352 451079219 /nfs/dbraw/zinc/07/92/19/451079219.db2.gz TZRJZUSQFNJOAP-AKHDSKFASA-N 2 1 342.487 1.948 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627014676 451079334 /nfs/dbraw/zinc/07/93/34/451079334.db2.gz DDRKTGYPCMZJQL-ROUUACIJSA-N 2 1 348.491 1.431 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)CC[C@H]2CCCC[N@H+]2C)CCO1 ZINC000622185600 451093984 /nfs/dbraw/zinc/09/39/84/451093984.db2.gz JCNPWVPCYDGKLA-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[C@H]1C(F)(F)F ZINC000626979343 451048688 /nfs/dbraw/zinc/04/86/88/451048688.db2.gz XOQSATZSVFFCFB-NTZNESFSSA-N 2 1 334.386 1.392 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000628051980 451105328 /nfs/dbraw/zinc/10/53/28/451105328.db2.gz UVLBLLJAOVLAOR-WQANXHIZSA-N 2 1 329.488 1.961 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000628051980 451105334 /nfs/dbraw/zinc/10/53/34/451105334.db2.gz UVLBLLJAOVLAOR-WQANXHIZSA-N 2 1 329.488 1.961 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000635629843 451118542 /nfs/dbraw/zinc/11/85/42/451118542.db2.gz HUYKDTLWZORZHH-MJGOQNOKSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000635629843 451118548 /nfs/dbraw/zinc/11/85/48/451118548.db2.gz HUYKDTLWZORZHH-MJGOQNOKSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000635629843 451118556 /nfs/dbraw/zinc/11/85/56/451118556.db2.gz HUYKDTLWZORZHH-MJGOQNOKSA-N 2 1 331.460 1.081 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000635629846 451119426 /nfs/dbraw/zinc/11/94/26/451119426.db2.gz HUYKDTLWZORZHH-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000635629846 451119429 /nfs/dbraw/zinc/11/94/29/451119429.db2.gz HUYKDTLWZORZHH-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000635629846 451119433 /nfs/dbraw/zinc/11/94/33/451119433.db2.gz HUYKDTLWZORZHH-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000627175953 451165984 /nfs/dbraw/zinc/16/59/84/451165984.db2.gz DSFRZYJMHIKDRG-QGZVFWFLSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C[NH2+]1 ZINC000627193236 451179226 /nfs/dbraw/zinc/17/92/26/451179226.db2.gz FMGQQIZBEHOVFT-SJLPKXTDSA-N 2 1 330.476 1.697 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCCOCCC[NH3+] ZINC000627214914 451191041 /nfs/dbraw/zinc/19/10/41/451191041.db2.gz APLABQSUZAYBBX-IAGOWNOFSA-N 2 1 348.491 1.656 20 0 EDADMP CN(C(=O)NCCOCCC[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627214736 451191171 /nfs/dbraw/zinc/19/11/71/451191171.db2.gz YGCBZADTDZAYDF-GOSISDBHSA-N 2 1 348.491 1.658 20 0 EDADMP CN(C(=O)NCCOCCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627216198 451192070 /nfs/dbraw/zinc/19/20/70/451192070.db2.gz SMESFNRRCQMMNX-KRWDZBQOSA-N 2 1 334.464 1.268 20 0 EDADMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[C@@H]1CCSC1 ZINC000628544389 451286053 /nfs/dbraw/zinc/28/60/53/451286053.db2.gz JEONIJGBYDPKEI-HZPDHXFCSA-N 2 1 325.522 1.947 20 0 EDADMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCSC1 ZINC000628544389 451286055 /nfs/dbraw/zinc/28/60/55/451286055.db2.gz JEONIJGBYDPKEI-HZPDHXFCSA-N 2 1 325.522 1.947 20 0 EDADMP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCSC1 ZINC000628544389 451286056 /nfs/dbraw/zinc/28/60/56/451286056.db2.gz JEONIJGBYDPKEI-HZPDHXFCSA-N 2 1 325.522 1.947 20 0 EDADMP C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C[NH2+]CCO1 ZINC000638085163 451250398 /nfs/dbraw/zinc/25/03/98/451250398.db2.gz OIYJECXRPKMGNO-YOEHRIQHSA-N 2 1 337.489 1.455 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000638095510 451260933 /nfs/dbraw/zinc/26/09/33/451260933.db2.gz UKVIEZGEHHYHHP-ZWKOTPCHSA-N 2 1 330.476 1.142 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)c2cnc(C[NH3+])nc2)C[N@H+]1Cc1ccccc1 ZINC000638127906 451298994 /nfs/dbraw/zinc/29/89/94/451298994.db2.gz FPWJZJAZNCMAKW-XJKSGUPXSA-N 2 1 325.416 1.328 20 0 EDADMP CN(C)c1cc(NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000638133178 451305093 /nfs/dbraw/zinc/30/50/93/451305093.db2.gz IVQMDTGDGTYZCS-MRXNPFEDSA-N 2 1 327.432 1.545 20 0 EDADMP CN(C)c1cc(NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000638133178 451305096 /nfs/dbraw/zinc/30/50/96/451305096.db2.gz IVQMDTGDGTYZCS-MRXNPFEDSA-N 2 1 327.432 1.545 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638142490 451316678 /nfs/dbraw/zinc/31/66/78/451316678.db2.gz CHWNXTOEOIRNRK-FHWLQOOXSA-N 2 1 344.503 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638142490 451316680 /nfs/dbraw/zinc/31/66/80/451316680.db2.gz CHWNXTOEOIRNRK-FHWLQOOXSA-N 2 1 344.503 1.436 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000636580965 451321953 /nfs/dbraw/zinc/32/19/53/451321953.db2.gz RANXYVAXEUAIDN-AWEZNQCLSA-N 2 1 334.468 1.613 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638153231 451323740 /nfs/dbraw/zinc/32/37/40/451323740.db2.gz CVTWXRXSZIAWIH-SUMDDJOVSA-N 2 1 331.460 1.379 20 0 EDADMP [NH3+][C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2)C1CC1 ZINC000638155053 451326059 /nfs/dbraw/zinc/32/60/59/451326059.db2.gz RPKCRZWHUZJHMH-QWFCFKBJSA-N 2 1 343.471 1.379 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1Cc2cncn2C1)[N@H+]1CCc2ccccc2C1 ZINC000636587475 451327435 /nfs/dbraw/zinc/32/74/35/451327435.db2.gz DRQXMMIWAZZSJN-RHSMWYFYSA-N 2 1 339.443 1.554 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1Cc2cncn2C1)N1CCc2ccccc2C1 ZINC000636587475 451327439 /nfs/dbraw/zinc/32/74/39/451327439.db2.gz DRQXMMIWAZZSJN-RHSMWYFYSA-N 2 1 339.443 1.554 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638213733 451358812 /nfs/dbraw/zinc/35/88/12/451358812.db2.gz OUXMTOQBISZUJZ-UXLLHSPISA-N 2 1 333.863 1.982 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638213733 451358816 /nfs/dbraw/zinc/35/88/16/451358816.db2.gz OUXMTOQBISZUJZ-UXLLHSPISA-N 2 1 333.863 1.982 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638251657 451381315 /nfs/dbraw/zinc/38/13/15/451381315.db2.gz IOHNSNOZMPJXJL-POAQFYNOSA-N 2 1 345.487 1.769 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638256717 451382548 /nfs/dbraw/zinc/38/25/48/451382548.db2.gz QVJWTNYUDKZIMS-RIVXBTQJSA-N 2 1 331.460 1.377 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638256715 451383281 /nfs/dbraw/zinc/38/32/81/451383281.db2.gz QVJWTNYUDKZIMS-MFWIUYSUSA-N 2 1 331.460 1.377 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000638328496 451437527 /nfs/dbraw/zinc/43/75/27/451437527.db2.gz JMBRZNVXWLXZPB-QYZOEREBSA-N 2 1 344.503 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000638328496 451437530 /nfs/dbraw/zinc/43/75/30/451437530.db2.gz JMBRZNVXWLXZPB-QYZOEREBSA-N 2 1 344.503 1.436 20 0 EDADMP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000636048356 451465484 /nfs/dbraw/zinc/46/54/84/451465484.db2.gz VIQJAWCZNHWCEX-MOPGFXCFSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638369463 451466527 /nfs/dbraw/zinc/46/65/27/451466527.db2.gz RMUSKKACKRDVPH-ZTTFOMCMSA-N 2 1 345.487 1.767 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@@]2(OC)CCOC2)CC1 ZINC000638373719 451470051 /nfs/dbraw/zinc/47/00/51/451470051.db2.gz IHEJLYHSKTXXEU-FQEVSTJZSA-N 2 1 347.503 1.719 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)C[NH+](C)C1CC1 ZINC000634724554 451505665 /nfs/dbraw/zinc/50/56/65/451505665.db2.gz SHVIGWZEOSXXOP-YVWKXTFCSA-N 2 1 331.504 1.799 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000634724554 451505671 /nfs/dbraw/zinc/50/56/71/451505671.db2.gz SHVIGWZEOSXXOP-YVWKXTFCSA-N 2 1 331.504 1.799 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000634724554 451505677 /nfs/dbraw/zinc/50/56/77/451505677.db2.gz SHVIGWZEOSXXOP-YVWKXTFCSA-N 2 1 331.504 1.799 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000631043631 451550292 /nfs/dbraw/zinc/55/02/92/451550292.db2.gz ZNOLFAUOKFSRHE-IAGOWNOFSA-N 2 1 335.496 1.916 20 0 EDADMP O=C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000634782066 451545921 /nfs/dbraw/zinc/54/59/21/451545921.db2.gz ZWYSTFUFZCUAGR-KDURUIRLSA-N 2 1 343.471 1.477 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C[C@H]3CCCC[NH+]3C)CC2)CC[N@H+]1C ZINC000631140034 451604956 /nfs/dbraw/zinc/60/49/56/451604956.db2.gz KEUHNGRIQWZTHG-FGTMMUONSA-N 2 1 336.524 1.345 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000631140034 451604962 /nfs/dbraw/zinc/60/49/62/451604962.db2.gz KEUHNGRIQWZTHG-FGTMMUONSA-N 2 1 336.524 1.345 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC[NH+]1C ZINC000631140034 451604967 /nfs/dbraw/zinc/60/49/67/451604967.db2.gz KEUHNGRIQWZTHG-FGTMMUONSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638565278 451579482 /nfs/dbraw/zinc/57/94/82/451579482.db2.gz YVJLGWRWYSDDRB-NWDGAFQWSA-N 2 1 332.370 1.992 20 0 EDADMP CCc1c[nH]c(CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)n1 ZINC000636255671 451624926 /nfs/dbraw/zinc/62/49/26/451624926.db2.gz JISUBIJCKBZTQX-INIZCTEOSA-N 2 1 342.443 1.914 20 0 EDADMP CCc1c[nH]c(CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)n1 ZINC000636255671 451624930 /nfs/dbraw/zinc/62/49/30/451624930.db2.gz JISUBIJCKBZTQX-INIZCTEOSA-N 2 1 342.443 1.914 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc1 ZINC000636255300 451625331 /nfs/dbraw/zinc/62/53/31/451625331.db2.gz GSCAVPNUWVGTHD-DJIMGWMZSA-N 2 1 340.427 1.913 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc1 ZINC000636255300 451625338 /nfs/dbraw/zinc/62/53/38/451625338.db2.gz GSCAVPNUWVGTHD-DJIMGWMZSA-N 2 1 340.427 1.913 20 0 EDADMP O=C1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCN1 ZINC000634975422 451632747 /nfs/dbraw/zinc/63/27/47/451632747.db2.gz YFTAINPASPGUSR-MSOLQXFVSA-N 2 1 331.460 1.402 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638668777 451642511 /nfs/dbraw/zinc/64/25/11/451642511.db2.gz NKLWQBLWZNNXGK-KRWDZBQOSA-N 2 1 327.384 1.816 20 0 EDADMP O=C(CN1CC[NH2+]CC1)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851665 451710368 /nfs/dbraw/zinc/71/03/68/451710368.db2.gz ORUJWDHLUAXXQQ-LJQANCHMSA-N 2 1 344.503 1.453 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852621 451711092 /nfs/dbraw/zinc/71/10/92/451711092.db2.gz ZINFHSAYSZEMGC-OALUTQOASA-N 2 1 346.519 1.826 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)N3CC[NH2+]C[C@](C)(F)C3)cn2)CC1 ZINC000632960039 451669810 /nfs/dbraw/zinc/66/98/10/451669810.db2.gz ANBCOFOVKTYTAD-INIZCTEOSA-N 2 1 338.431 1.315 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000638934374 451739418 /nfs/dbraw/zinc/73/94/18/451739418.db2.gz HEIGIQORPCNWCX-ZXFNITATSA-N 2 1 331.460 1.858 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000638934374 451739421 /nfs/dbraw/zinc/73/94/21/451739421.db2.gz HEIGIQORPCNWCX-ZXFNITATSA-N 2 1 331.460 1.858 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638987339 451748077 /nfs/dbraw/zinc/74/80/77/451748077.db2.gz PTYZKGMPLKHKIA-KRWDZBQOSA-N 2 1 341.415 1.138 20 0 EDADMP c1c(C2CC[NH2+]CC2)nnn1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000641180255 451771413 /nfs/dbraw/zinc/77/14/13/451771413.db2.gz BWNGYODMALEHTN-UHFFFAOYSA-N 2 1 341.459 1.626 20 0 EDADMP CC(C)[C@@H](C(=O)NCCC1CC[NH2+]CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000653272019 451806964 /nfs/dbraw/zinc/80/69/64/451806964.db2.gz VLVATRURCSHANX-INMHGKMJSA-N 2 1 325.497 1.626 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000644525357 451841497 /nfs/dbraw/zinc/84/14/97/451841497.db2.gz WCNHAMSOCKQCNO-ZFWWWQNUSA-N 2 1 347.415 1.586 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)c1cc(C[NH+]3CCCC3)on1)CCO2 ZINC000649129000 451863157 /nfs/dbraw/zinc/86/31/57/451863157.db2.gz HUUFGIYTOUGYTJ-UHFFFAOYSA-N 2 1 348.447 1.207 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)[C@@H](C)C[N@H+]1CCO ZINC000637471594 451888630 /nfs/dbraw/zinc/88/86/30/451888630.db2.gz WGDBARXINBKQLA-HLLBOEOZSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)[C@@H](C)C[NH+]1CCO ZINC000637471594 451888637 /nfs/dbraw/zinc/88/86/37/451888637.db2.gz WGDBARXINBKQLA-HLLBOEOZSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)[C@@H](C)C[NH+]1CCO ZINC000637471594 451888644 /nfs/dbraw/zinc/88/86/44/451888644.db2.gz WGDBARXINBKQLA-HLLBOEOZSA-N 2 1 338.496 1.100 20 0 EDADMP COCCOC[C@@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639506715 451912265 /nfs/dbraw/zinc/91/22/65/451912265.db2.gz REVAHMDIZDFLMA-UXHICEINSA-N 2 1 348.487 1.608 20 0 EDADMP COCCOC[C@@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639506715 451912272 /nfs/dbraw/zinc/91/22/72/451912272.db2.gz REVAHMDIZDFLMA-UXHICEINSA-N 2 1 348.487 1.608 20 0 EDADMP COCCOC[C@@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639506715 451912277 /nfs/dbraw/zinc/91/22/77/451912277.db2.gz REVAHMDIZDFLMA-UXHICEINSA-N 2 1 348.487 1.608 20 0 EDADMP COCCOC[C@@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639506715 451912284 /nfs/dbraw/zinc/91/22/84/451912284.db2.gz REVAHMDIZDFLMA-UXHICEINSA-N 2 1 348.487 1.608 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CCN(c3ccccn3)C1)CC2 ZINC000651568895 451923084 /nfs/dbraw/zinc/92/30/84/451923084.db2.gz AWXZVOJXXBRINZ-HUUCEWRRSA-N 2 1 325.416 1.544 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000637533979 451931514 /nfs/dbraw/zinc/93/15/14/451931514.db2.gz GHDBINIGYGIAMK-WCXIOVBPSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NC[C@@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000637533979 451931517 /nfs/dbraw/zinc/93/15/17/451931517.db2.gz GHDBINIGYGIAMK-WCXIOVBPSA-N 2 1 338.496 1.364 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(C[NH3+])c2)CC1=O ZINC000649268550 451941563 /nfs/dbraw/zinc/94/15/63/451941563.db2.gz QODZIXGPFQLJSB-WBVHZDCISA-N 2 1 344.459 1.417 20 0 EDADMP [NH3+]C[C@@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000649279151 451950739 /nfs/dbraw/zinc/95/07/39/451950739.db2.gz ZGXPROSRSMPRKU-IAGOWNOFSA-N 2 1 335.423 1.191 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cnn1C ZINC000649293511 451969658 /nfs/dbraw/zinc/96/96/58/451969658.db2.gz WPVRIULIUKJSPC-JFTQMJAMSA-N 2 1 347.507 1.268 20 0 EDADMP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[NH+](CCc2cccs2)CC1 ZINC000649296405 451973795 /nfs/dbraw/zinc/97/37/95/451973795.db2.gz AONKQWJAHFGPSS-CQSZACIVSA-N 2 1 343.443 1.680 20 0 EDADMP CC1(C)C[NH2+][C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000649299300 451977042 /nfs/dbraw/zinc/97/70/42/451977042.db2.gz GTTCVWZLIIVFOI-GJZGRUSLSA-N 2 1 330.432 1.073 20 0 EDADMP CC1(C)C[NH2+][C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000649299300 451977043 /nfs/dbraw/zinc/97/70/43/451977043.db2.gz GTTCVWZLIIVFOI-GJZGRUSLSA-N 2 1 330.432 1.073 20 0 EDADMP C[N@H+]1CC[C@@](N)(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000649304171 451979365 /nfs/dbraw/zinc/97/93/65/451979365.db2.gz LIZFDVBADDZJGN-IBGZPJMESA-N 2 1 330.476 1.687 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637668327 452009947 /nfs/dbraw/zinc/00/99/47/452009947.db2.gz CIFOAMADNMBQLC-OAHLLOKOSA-N 2 1 348.495 1.955 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649331600 452013670 /nfs/dbraw/zinc/01/36/70/452013670.db2.gz FLIWOHVUYGRULW-GOEBONIOSA-N 2 1 337.414 1.964 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649331600 452013675 /nfs/dbraw/zinc/01/36/75/452013675.db2.gz FLIWOHVUYGRULW-GOEBONIOSA-N 2 1 337.414 1.964 20 0 EDADMP CCCCOCCNC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682023 452021573 /nfs/dbraw/zinc/02/15/73/452021573.db2.gz FANBMZAGOKYPDD-UHFFFAOYSA-N 2 1 334.464 1.527 20 0 EDADMP CCCCOCCNC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682023 452021576 /nfs/dbraw/zinc/02/15/76/452021576.db2.gz FANBMZAGOKYPDD-UHFFFAOYSA-N 2 1 334.464 1.527 20 0 EDADMP C[NH+](Cc1cncc(C[N@@H+](C)C[C@H](O)C2CC2)c1)C[C@H](O)C1CC1 ZINC000649342545 452023108 /nfs/dbraw/zinc/02/31/08/452023108.db2.gz WQMFYRVGEVLTKB-OALUTQOASA-N 2 1 333.476 1.487 20 0 EDADMP CC(C)C1CCC([NH+]2CCN(C(=O)[C@]3(N)CC[N@@H+](C)C3)CC2)CC1 ZINC000649344825 452026923 /nfs/dbraw/zinc/02/69/23/452026923.db2.gz RTCCSIKFTYREMC-TVPLGVNVSA-N 2 1 336.524 1.378 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)CC1 ZINC000649350535 452033930 /nfs/dbraw/zinc/03/39/30/452033930.db2.gz MBVLEXIXZLYRKO-QRVBRYPASA-N 2 1 342.487 1.191 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@](C)([NH3+])c3ccccc3)CC2)C1 ZINC000649352627 452037343 /nfs/dbraw/zinc/03/73/43/452037343.db2.gz AXFOJUBHPBDJIN-HKUYNNGSSA-N 2 1 330.476 1.099 20 0 EDADMP [NH3+]CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C(F)(F)F ZINC000647083855 452050952 /nfs/dbraw/zinc/05/09/52/452050952.db2.gz YYBPBJJKTCXAEW-KGLIPLIRSA-N 2 1 344.381 1.690 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC([NH+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393444 452062930 /nfs/dbraw/zinc/06/29/30/452062930.db2.gz OOJDFMOBYULREW-QZTJIDSGSA-N 2 1 336.524 1.663 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393444 452062936 /nfs/dbraw/zinc/06/29/36/452062936.db2.gz OOJDFMOBYULREW-QZTJIDSGSA-N 2 1 336.524 1.663 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393444 452062939 /nfs/dbraw/zinc/06/29/39/452062939.db2.gz OOJDFMOBYULREW-QZTJIDSGSA-N 2 1 336.524 1.663 20 0 EDADMP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637805188 452092512 /nfs/dbraw/zinc/09/25/12/452092512.db2.gz KNTSHJAPQXSMSX-QWFCFKBJSA-N 2 1 343.471 1.393 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1CN(c3ccccc3)CCO1)CCO2 ZINC000653776638 452110991 /nfs/dbraw/zinc/11/09/91/452110991.db2.gz ALLCEDPGRGNCNA-IBGZPJMESA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+](CC)CCC[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639770005 452113645 /nfs/dbraw/zinc/11/36/45/452113645.db2.gz JAZTXOXYTDQLJL-QGZVFWFLSA-N 2 1 329.554 1.858 20 0 EDADMP CC[NH+](CC)CCC[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639770005 452113651 /nfs/dbraw/zinc/11/36/51/452113651.db2.gz JAZTXOXYTDQLJL-QGZVFWFLSA-N 2 1 329.554 1.858 20 0 EDADMP CCOCCCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637875964 452129210 /nfs/dbraw/zinc/12/92/10/452129210.db2.gz JEFGEWGACRZAQU-UHFFFAOYSA-N 2 1 333.476 1.913 20 0 EDADMP CC[NH+](CC)CC1CC[NH+](Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000637904157 452153160 /nfs/dbraw/zinc/15/31/60/452153160.db2.gz BMFUCHKAKBRTOD-KRWDZBQOSA-N 2 1 335.496 1.868 20 0 EDADMP O[C@@H]1CC[N@H+](C2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)C1 ZINC000651978308 452201652 /nfs/dbraw/zinc/20/16/52/452201652.db2.gz DRRQBZGRRRSUKC-LJQANCHMSA-N 2 1 345.487 1.412 20 0 EDADMP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CCC[NH+]1CCOCC1 ZINC000639879537 452214376 /nfs/dbraw/zinc/21/43/76/452214376.db2.gz LCWZIJMFWGPLCD-QGZVFWFLSA-N 2 1 325.497 1.284 20 0 EDADMP [NH3+]CCOCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000645218551 452216230 /nfs/dbraw/zinc/21/62/30/452216230.db2.gz XPOSXOLOLPRKGC-UHFFFAOYSA-N 2 1 327.428 1.459 20 0 EDADMP CC[C@H](C)[C@H](O)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637993515 452235728 /nfs/dbraw/zinc/23/57/28/452235728.db2.gz RXXOTVZJYMXBAK-FUHWJXTLSA-N 2 1 347.503 1.893 20 0 EDADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000641802755 452276405 /nfs/dbraw/zinc/27/64/05/452276405.db2.gz OKBRLQJBDSRGLH-XKQJLSEDSA-N 2 1 348.466 1.578 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000641804176 452279796 /nfs/dbraw/zinc/27/97/96/452279796.db2.gz JBFGZJBSHOYEHI-MSOLQXFVSA-N 2 1 345.487 1.910 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000641803247 452280289 /nfs/dbraw/zinc/28/02/89/452280289.db2.gz RQMDEDRJBJUWIU-SJORKVTESA-N 2 1 330.476 1.046 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1OC ZINC000641805805 452286274 /nfs/dbraw/zinc/28/62/74/452286274.db2.gz OPCYSOFSFNLKDD-XZJROXQQSA-N 2 1 335.448 1.424 20 0 EDADMP CO[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C1CCOCC1 ZINC000638033567 452286774 /nfs/dbraw/zinc/28/67/74/452286774.db2.gz FWUJWMAOUSQCEV-RTBURBONSA-N 2 1 339.524 1.530 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[C@H]1F ZINC000659443321 452291601 /nfs/dbraw/zinc/29/16/01/452291601.db2.gz ZIWNPDHCVPTQHY-CHWSQXEVSA-N 2 1 326.441 1.187 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)NCC[N@H+]2CCc3sccc3C2)CC[C@H]1F ZINC000659443321 452291609 /nfs/dbraw/zinc/29/16/09/452291609.db2.gz ZIWNPDHCVPTQHY-CHWSQXEVSA-N 2 1 326.441 1.187 20 0 EDADMP CC[C@H](C)[C@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000638036328 452292163 /nfs/dbraw/zinc/29/21/63/452292163.db2.gz VPPADVVFZJJTOV-WMZOPIPTSA-N 2 1 339.524 1.924 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659457759 452311284 /nfs/dbraw/zinc/31/12/84/452311284.db2.gz KLBOSIQLIJSOKI-IPMKNSEASA-N 2 1 342.487 1.916 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659459881 452311868 /nfs/dbraw/zinc/31/18/68/452311868.db2.gz HDXJRJXAFBYYAU-QGZVFWFLSA-N 2 1 340.512 1.376 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000665758988 452328281 /nfs/dbraw/zinc/32/82/81/452328281.db2.gz WFQUQLOBKQVYGX-RRFJBIMHSA-N 2 1 330.542 1.794 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000665758988 452328290 /nfs/dbraw/zinc/32/82/90/452328290.db2.gz WFQUQLOBKQVYGX-RRFJBIMHSA-N 2 1 330.542 1.794 20 0 EDADMP [NH3+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663607921 452335034 /nfs/dbraw/zinc/33/50/34/452335034.db2.gz AONPPFPGBOEOBG-MRXNPFEDSA-N 2 1 344.459 1.322 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641869789 452336156 /nfs/dbraw/zinc/33/61/56/452336156.db2.gz GYQPRLRHEVOBRF-ONEGZZNKSA-N 2 1 326.485 1.281 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652145034 452337302 /nfs/dbraw/zinc/33/73/02/452337302.db2.gz ASEPSXTUAFBVLB-MWDXBVQZSA-N 2 1 340.512 1.645 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659482055 452341267 /nfs/dbraw/zinc/34/12/67/452341267.db2.gz UGDRXVVHINIUDE-DZOHQFGASA-N 2 1 348.466 1.978 20 0 EDADMP CCO[C@@H]1CN(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652150086 452342693 /nfs/dbraw/zinc/34/26/93/452342693.db2.gz LTHHKSZPPRYMFJ-CGTJXYLNSA-N 2 1 348.491 1.512 20 0 EDADMP COC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665763522 452342932 /nfs/dbraw/zinc/34/29/32/452342932.db2.gz DHOAIOGMTQGRAI-IRXDYDNUSA-N 2 1 342.528 1.717 20 0 EDADMP COC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665763522 452342939 /nfs/dbraw/zinc/34/29/39/452342939.db2.gz DHOAIOGMTQGRAI-IRXDYDNUSA-N 2 1 342.528 1.717 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1cscn1 ZINC000665763489 452343847 /nfs/dbraw/zinc/34/38/47/452343847.db2.gz CAXUISBHFAIKIB-QWHCGFSZSA-N 2 1 327.498 1.775 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1cscn1 ZINC000665763489 452343855 /nfs/dbraw/zinc/34/38/55/452343855.db2.gz CAXUISBHFAIKIB-QWHCGFSZSA-N 2 1 327.498 1.775 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](c2cccnc2)C1 ZINC000665763932 452349024 /nfs/dbraw/zinc/34/90/24/452349024.db2.gz PLNKWODDGDIMEQ-WMZOPIPTSA-N 2 1 347.507 1.853 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](c2cccnc2)C1 ZINC000665763932 452349035 /nfs/dbraw/zinc/34/90/35/452349035.db2.gz PLNKWODDGDIMEQ-WMZOPIPTSA-N 2 1 347.507 1.853 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638060569 452350974 /nfs/dbraw/zinc/35/09/74/452350974.db2.gz XJAJTKKNRZAKFS-ROUUACIJSA-N 2 1 332.492 1.388 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)CCC3C[NH2+]C3)cc2)C[C@H](C)O1 ZINC000638062616 452357515 /nfs/dbraw/zinc/35/75/15/452357515.db2.gz HIEHDASIXBDTRM-IYBDPMFKSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@H](CNC(=O)NCCN(C)CCC[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000663629128 452367507 /nfs/dbraw/zinc/36/75/07/452367507.db2.gz NOVBQTOPBVFRIW-IAGOWNOFSA-N 2 1 341.544 1.432 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000638067125 452370716 /nfs/dbraw/zinc/37/07/16/452370716.db2.gz AKETWURDVJVXAV-RKVPGOIHSA-N 2 1 333.476 1.944 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000638067008 452370800 /nfs/dbraw/zinc/37/08/00/452370800.db2.gz PTZKBWADRXYLQJ-DFGXFYAUSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638069451 452374791 /nfs/dbraw/zinc/37/47/91/452374791.db2.gz KEEZSHATJKVVJM-WMZOPIPTSA-N 2 1 332.492 1.294 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638069451 452374793 /nfs/dbraw/zinc/37/47/93/452374793.db2.gz KEEZSHATJKVVJM-WMZOPIPTSA-N 2 1 332.492 1.294 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638069451 452374797 /nfs/dbraw/zinc/37/47/97/452374797.db2.gz KEEZSHATJKVVJM-WMZOPIPTSA-N 2 1 332.492 1.294 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000659513907 452377476 /nfs/dbraw/zinc/37/74/76/452377476.db2.gz MCMHCZUWNHYDDJ-FUHWJXTLSA-N 2 1 346.475 1.052 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659518618 452382486 /nfs/dbraw/zinc/38/24/86/452382486.db2.gz YXQUFFXIDQHXRV-ZWKOTPCHSA-N 2 1 347.507 1.085 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659518618 452382498 /nfs/dbraw/zinc/38/24/98/452382498.db2.gz YXQUFFXIDQHXRV-ZWKOTPCHSA-N 2 1 347.507 1.085 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638075436 452385221 /nfs/dbraw/zinc/38/52/21/452385221.db2.gz RKDKDESKBMXIJT-YJBOKZPZSA-N 2 1 343.475 1.403 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638075436 452385228 /nfs/dbraw/zinc/38/52/28/452385228.db2.gz RKDKDESKBMXIJT-YJBOKZPZSA-N 2 1 343.475 1.403 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000663644707 452387881 /nfs/dbraw/zinc/38/78/81/452387881.db2.gz ZSOXJXQTFXSYLC-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000638076426 452389692 /nfs/dbraw/zinc/38/96/92/452389692.db2.gz KPRVGPZZFHSCQN-LJQANCHMSA-N 2 1 347.503 1.781 20 0 EDADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000638076426 452389698 /nfs/dbraw/zinc/38/96/98/452389698.db2.gz KPRVGPZZFHSCQN-LJQANCHMSA-N 2 1 347.503 1.781 20 0 EDADMP C[C@@H](CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000638081267 452397762 /nfs/dbraw/zinc/39/77/62/452397762.db2.gz WHDRQXBBMCOVAU-INIZCTEOSA-N 3 1 332.492 1.436 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652212663 452405508 /nfs/dbraw/zinc/40/55/08/452405508.db2.gz KMBIQDWEHWWMQK-ICSRJNTNSA-N 2 1 344.503 1.944 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652212663 452405514 /nfs/dbraw/zinc/40/55/14/452405514.db2.gz KMBIQDWEHWWMQK-ICSRJNTNSA-N 2 1 344.503 1.944 20 0 EDADMP [NH3+]CC1(CCNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000659559439 452416827 /nfs/dbraw/zinc/41/68/27/452416827.db2.gz MUMGAUXDGMPOBI-HUUCEWRRSA-N 2 1 336.480 1.058 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NCCC3(C[NH3+])CC3)CC2)c1 ZINC000652243744 452428280 /nfs/dbraw/zinc/42/82/80/452428280.db2.gz HJWRUTBTSANNCI-UHFFFAOYSA-N 2 1 330.476 1.951 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000647735453 452467512 /nfs/dbraw/zinc/46/75/12/452467512.db2.gz DHMBFWQRJWWJTO-CQSZACIVSA-N 2 1 342.447 1.840 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000659633022 452496484 /nfs/dbraw/zinc/49/64/84/452496484.db2.gz AHWHXYWAYGWYEW-VQIMIIECSA-N 2 1 330.476 1.902 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](O)[C@H]2C)CC1 ZINC000650080737 452504422 /nfs/dbraw/zinc/50/44/22/452504422.db2.gz MFNYWIYRESEOPE-APWZRJJASA-N 2 1 345.487 1.531 20 0 EDADMP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655690061 452512790 /nfs/dbraw/zinc/51/27/90/452512790.db2.gz UDEJWWJUSBSORB-HKUYNNGSSA-N 3 1 338.540 1.245 20 0 EDADMP CC[C@@H]1C[N@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC[C@H]1[NH3+] ZINC000652341072 452513395 /nfs/dbraw/zinc/51/33/95/452513395.db2.gz ZSCLBCGRPUCMTL-RHSMWYFYSA-N 2 1 337.489 1.687 20 0 EDADMP CC[C@@H]1C[N@@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC[C@H]1[NH3+] ZINC000652341072 452513404 /nfs/dbraw/zinc/51/34/04/452513404.db2.gz ZSCLBCGRPUCMTL-RHSMWYFYSA-N 2 1 337.489 1.687 20 0 EDADMP C[NH+](C)CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655695508 452516836 /nfs/dbraw/zinc/51/68/36/452516836.db2.gz ZRBZFLUTKLKMOH-LJQANCHMSA-N 3 1 347.503 1.970 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)C2)C1 ZINC000652348816 452526749 /nfs/dbraw/zinc/52/67/49/452526749.db2.gz SDAHXXYQXNNTFG-SYQHCUMBSA-N 2 1 349.397 1.368 20 0 EDADMP Cn1cc(-c2cc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)on2)cn1 ZINC000652349428 452527287 /nfs/dbraw/zinc/52/72/87/452527287.db2.gz OPUROMZGHBASHI-JCKWVBRZSA-N 2 1 345.447 1.793 20 0 EDADMP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652355286 452530999 /nfs/dbraw/zinc/53/09/99/452530999.db2.gz SXZHXGUNXOZNAR-YJBOKZPZSA-N 2 1 333.476 1.899 20 0 EDADMP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652355286 452531011 /nfs/dbraw/zinc/53/10/11/452531011.db2.gz SXZHXGUNXOZNAR-YJBOKZPZSA-N 2 1 333.476 1.899 20 0 EDADMP CC1(C)CN(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000655714496 452531636 /nfs/dbraw/zinc/53/16/36/452531636.db2.gz FZICTRWIGBPHHR-KRWDZBQOSA-N 2 1 325.497 1.330 20 0 EDADMP C[NH+](C)C1CCN(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655719075 452534264 /nfs/dbraw/zinc/53/42/64/452534264.db2.gz PCJHUURREMYVLD-IBGZPJMESA-N 3 1 338.540 1.245 20 0 EDADMP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655722952 452537488 /nfs/dbraw/zinc/53/74/88/452537488.db2.gz JUDKGVGKNGTRPI-QGZVFWFLSA-N 3 1 325.497 1.065 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)NCc2ccccc2)C1 ZINC000652360920 452541342 /nfs/dbraw/zinc/54/13/42/452541342.db2.gz TZAJGSDCAHLAFU-SQNIBIBYSA-N 2 1 331.460 1.664 20 0 EDADMP O=C(CC1CCCCC1)NCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655729215 452541592 /nfs/dbraw/zinc/54/15/92/452541592.db2.gz DSPCDSOPUFPOOS-GOSISDBHSA-N 2 1 337.508 1.916 20 0 EDADMP Cc1noc(C)c1CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000663816789 452542916 /nfs/dbraw/zinc/54/29/16/452542916.db2.gz ZKWUXVLWOPZZIS-LBPRGKRZSA-N 2 1 325.457 1.363 20 0 EDADMP Cc1noc(C)c1CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000663816789 452542925 /nfs/dbraw/zinc/54/29/25/452542925.db2.gz ZKWUXVLWOPZZIS-LBPRGKRZSA-N 2 1 325.457 1.363 20 0 EDADMP C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)COC1CCOCC1 ZINC000655730340 452544408 /nfs/dbraw/zinc/54/44/08/452544408.db2.gz RSTLIFCBWJWJKZ-GOSISDBHSA-N 2 1 326.481 1.805 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000655741444 452550663 /nfs/dbraw/zinc/55/06/63/452550663.db2.gz KHFLTBBWCHQPCO-SJLPKXTDSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000655741444 452550671 /nfs/dbraw/zinc/55/06/71/452550671.db2.gz KHFLTBBWCHQPCO-SJLPKXTDSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000655741444 452550680 /nfs/dbraw/zinc/55/06/80/452550680.db2.gz KHFLTBBWCHQPCO-SJLPKXTDSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000655741444 452550690 /nfs/dbraw/zinc/55/06/90/452550690.db2.gz KHFLTBBWCHQPCO-SJLPKXTDSA-N 2 1 346.475 1.319 20 0 EDADMP OC[C@]1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000655768356 452567609 /nfs/dbraw/zinc/56/76/09/452567609.db2.gz WWYGALZNYWUWHI-SLFFLAALSA-N 2 1 330.472 1.996 20 0 EDADMP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834821 452568138 /nfs/dbraw/zinc/56/81/38/452568138.db2.gz AJXVURUDILQZSS-HZPDHXFCSA-N 2 1 330.476 1.190 20 0 EDADMP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834821 452568147 /nfs/dbraw/zinc/56/81/47/452568147.db2.gz AJXVURUDILQZSS-HZPDHXFCSA-N 2 1 330.476 1.190 20 0 EDADMP Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)cc1C ZINC000647834871 452570223 /nfs/dbraw/zinc/57/02/23/452570223.db2.gz CROYOYWBMMWNAX-QGZVFWFLSA-N 2 1 332.492 1.318 20 0 EDADMP Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)cc1C ZINC000647834871 452570234 /nfs/dbraw/zinc/57/02/34/452570234.db2.gz CROYOYWBMMWNAX-QGZVFWFLSA-N 2 1 332.492 1.318 20 0 EDADMP Cc1cn2ccc(NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2n1 ZINC000657856693 452571101 /nfs/dbraw/zinc/57/11/01/452571101.db2.gz PIMUPQSWANJCHO-ZFWWWQNUSA-N 2 1 343.431 1.522 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCCN2CCNC(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000655793004 452583098 /nfs/dbraw/zinc/58/30/98/452583098.db2.gz FYOZMMBMKGFWLB-IEBWSBKVSA-N 2 1 344.503 1.451 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCCN2CCNC(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000655793004 452583108 /nfs/dbraw/zinc/58/31/08/452583108.db2.gz FYOZMMBMKGFWLB-IEBWSBKVSA-N 2 1 344.503 1.451 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3CCC4(CCCC4)O3)cn2)CC1 ZINC000655864133 452617905 /nfs/dbraw/zinc/61/79/05/452617905.db2.gz UDLLSNHJZRUSKK-KRWDZBQOSA-N 2 1 345.491 1.810 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CC1 ZINC000661879926 452647489 /nfs/dbraw/zinc/64/74/89/452647489.db2.gz GDJALEIQCUZWKO-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP CCN(C(=O)NC1CC[NH+](CCCOC)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663938028 452658670 /nfs/dbraw/zinc/65/86/70/452658670.db2.gz VTRPCVCFOUIMOI-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(F)(F)F ZINC000655916624 452677378 /nfs/dbraw/zinc/67/73/78/452677378.db2.gz FHKSIQFOFNMTOT-UONOGXRCSA-N 2 1 344.381 1.840 20 0 EDADMP CCCN(C(=O)C(=O)NCCC[NH+](C)CC(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000652494081 452688436 /nfs/dbraw/zinc/68/84/36/452688436.db2.gz VERKHYYUDGZIRU-INIZCTEOSA-N 2 1 340.512 1.023 20 0 EDADMP COCc1csc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000666221133 452696296 /nfs/dbraw/zinc/69/62/96/452696296.db2.gz RKHJFHDPIDTECJ-LBPRGKRZSA-N 2 1 343.497 1.683 20 0 EDADMP COCc1csc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000666221133 452696302 /nfs/dbraw/zinc/69/63/02/452696302.db2.gz RKHJFHDPIDTECJ-LBPRGKRZSA-N 2 1 343.497 1.683 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CCCn2c3ccccc3[nH]c2=O)CC12CCOCC2 ZINC000647985694 452729823 /nfs/dbraw/zinc/72/98/23/452729823.db2.gz PBDZNOPADLEGIB-HNNXBMFYSA-N 2 1 344.459 1.819 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655958846 452738316 /nfs/dbraw/zinc/73/83/16/452738316.db2.gz OTQVQOCSAZZUQJ-SJORKVTESA-N 2 1 342.443 1.361 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655958841 452739647 /nfs/dbraw/zinc/73/96/47/452739647.db2.gz OTQVQOCSAZZUQJ-DLBZAZTESA-N 2 1 342.443 1.361 20 0 EDADMP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658139675 452747697 /nfs/dbraw/zinc/74/76/97/452747697.db2.gz QXFXBPQCRPZTAU-RHSMWYFYSA-N 2 1 340.489 1.166 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000654657419 452770179 /nfs/dbraw/zinc/77/01/79/452770179.db2.gz GELUQMMABMHZQZ-KDURUIRLSA-N 2 1 344.503 1.897 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000664130715 452811743 /nfs/dbraw/zinc/81/17/43/452811743.db2.gz VPJAZMLPDKHJID-USXIJHARSA-N 2 1 348.491 1.166 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000664130715 452811749 /nfs/dbraw/zinc/81/17/49/452811749.db2.gz VPJAZMLPDKHJID-USXIJHARSA-N 2 1 348.491 1.166 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000659927813 452820660 /nfs/dbraw/zinc/82/06/60/452820660.db2.gz SYRHBGVLKFDURK-HZPDHXFCSA-N 2 1 327.513 1.562 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000659927813 452820669 /nfs/dbraw/zinc/82/06/69/452820669.db2.gz SYRHBGVLKFDURK-HZPDHXFCSA-N 2 1 327.513 1.562 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000659927813 452820656 /nfs/dbraw/zinc/82/06/56/452820656.db2.gz SYRHBGVLKFDURK-HZPDHXFCSA-N 2 1 327.513 1.562 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000659931450 452824880 /nfs/dbraw/zinc/82/48/80/452824880.db2.gz PBDWKGZVUHEKSF-QGZVFWFLSA-N 2 1 333.476 1.207 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000659931450 452824887 /nfs/dbraw/zinc/82/48/87/452824887.db2.gz PBDWKGZVUHEKSF-QGZVFWFLSA-N 2 1 333.476 1.207 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000664180805 452848742 /nfs/dbraw/zinc/84/87/42/452848742.db2.gz ADYUOCHLDZCGMG-RDJZCZTQSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000664180805 452848752 /nfs/dbraw/zinc/84/87/52/452848752.db2.gz ADYUOCHLDZCGMG-RDJZCZTQSA-N 3 1 339.528 1.042 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000664180805 452848756 /nfs/dbraw/zinc/84/87/56/452848756.db2.gz ADYUOCHLDZCGMG-RDJZCZTQSA-N 3 1 339.528 1.042 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000664180805 452848764 /nfs/dbraw/zinc/84/87/64/452848764.db2.gz ADYUOCHLDZCGMG-RDJZCZTQSA-N 3 1 339.528 1.042 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000664180805 452848775 /nfs/dbraw/zinc/84/87/75/452848775.db2.gz ADYUOCHLDZCGMG-RDJZCZTQSA-N 3 1 339.528 1.042 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000664181359 452849613 /nfs/dbraw/zinc/84/96/13/452849613.db2.gz IPERZGGJXQXIQU-JKSUJKDBSA-N 3 1 341.544 1.288 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000664181359 452849624 /nfs/dbraw/zinc/84/96/24/452849624.db2.gz IPERZGGJXQXIQU-JKSUJKDBSA-N 3 1 341.544 1.288 20 0 EDADMP CCN(C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000658361707 452872036 /nfs/dbraw/zinc/87/20/36/452872036.db2.gz ODJMTXJFQRXIKD-QGZVFWFLSA-N 2 1 346.475 1.548 20 0 EDADMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000648165367 452876089 /nfs/dbraw/zinc/87/60/89/452876089.db2.gz NHYHMYFCYIPBEL-BWTSREIZSA-N 2 1 339.483 1.967 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)c1 ZINC000645908278 452891945 /nfs/dbraw/zinc/89/19/45/452891945.db2.gz DZMDGZVZSUCFIA-KRWDZBQOSA-N 2 1 349.475 1.258 20 0 EDADMP C[N@H+](CCCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)C1CCCCC1 ZINC000650644195 452907110 /nfs/dbraw/zinc/90/71/10/452907110.db2.gz BJXSITIUZZYJDH-QGZVFWFLSA-N 2 1 338.496 1.101 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)C1CCCCC1 ZINC000650644195 452907117 /nfs/dbraw/zinc/90/71/17/452907117.db2.gz BJXSITIUZZYJDH-QGZVFWFLSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)C1CCCCC1 ZINC000650644195 452907122 /nfs/dbraw/zinc/90/71/22/452907122.db2.gz BJXSITIUZZYJDH-QGZVFWFLSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)C1CCCCC1 ZINC000650644195 452907129 /nfs/dbraw/zinc/90/71/29/452907129.db2.gz BJXSITIUZZYJDH-QGZVFWFLSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1CN(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)CO1 ZINC000664234122 452909890 /nfs/dbraw/zinc/90/98/90/452909890.db2.gz QLTWXDJIEOFQRZ-ZSNVMCELSA-N 2 1 338.496 1.410 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722369 452951727 /nfs/dbraw/zinc/95/17/27/452951727.db2.gz QXZDJBAVGRRQDH-KURKYZTESA-N 2 1 331.460 1.907 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cnc(N3CCCC3)nc2)C1 ZINC000650721968 452952709 /nfs/dbraw/zinc/95/27/09/452952709.db2.gz HIOBYBFRVNOEPI-SQNIBIBYSA-N 2 1 345.491 1.938 20 0 EDADMP Cc1cccc(C(=O)N2CCC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662250854 452974497 /nfs/dbraw/zinc/97/44/97/452974497.db2.gz PUUGKMQWMCNWLI-GOSISDBHSA-N 2 1 343.471 1.664 20 0 EDADMP Cc1cccc(C(=O)N2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662250855 452974977 /nfs/dbraw/zinc/97/49/77/452974977.db2.gz PUUGKMQWMCNWLI-SFHVURJKSA-N 2 1 343.471 1.664 20 0 EDADMP CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662250724 452976396 /nfs/dbraw/zinc/97/63/96/452976396.db2.gz MSRYRIQUHACRES-MRXNPFEDSA-N 2 1 337.489 1.236 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3C[NH2+]Cc4ccccc43)CC2)C1 ZINC000646003205 452997522 /nfs/dbraw/zinc/99/75/22/452997522.db2.gz WKGZBEHFARKPDT-HKUYNNGSSA-N 2 1 342.487 1.112 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)COCc2cccs2)CCO1 ZINC000662319941 453038077 /nfs/dbraw/zinc/03/80/77/453038077.db2.gz QZTVCJXDUKNAGM-CVEARBPZSA-N 2 1 342.505 1.668 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)COCc2cccs2)CCO1 ZINC000662319941 453038083 /nfs/dbraw/zinc/03/80/83/453038083.db2.gz QZTVCJXDUKNAGM-CVEARBPZSA-N 2 1 342.505 1.668 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000666657972 453043834 /nfs/dbraw/zinc/04/38/34/453043834.db2.gz ZOSHICXJZQPQRE-UHFFFAOYSA-N 2 1 344.459 1.071 20 0 EDADMP O=C(C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)N1CCCC1 ZINC000662327299 453045096 /nfs/dbraw/zinc/04/50/96/453045096.db2.gz MKWWTKOAJBFDQX-UHFFFAOYSA-N 2 1 345.491 1.679 20 0 EDADMP FC(F)COCC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338702 453055364 /nfs/dbraw/zinc/05/53/64/453055364.db2.gz UBOYMUROFXFZLO-ZDUSSCGKSA-N 2 1 343.422 1.280 20 0 EDADMP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2cnccn2)CC1 ZINC000660157716 453090128 /nfs/dbraw/zinc/09/01/28/453090128.db2.gz LIMPQYNGANNYKO-UHFFFAOYSA-N 2 1 349.479 1.486 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2cnccn2)CC1 ZINC000660157716 453090139 /nfs/dbraw/zinc/09/01/39/453090139.db2.gz LIMPQYNGANNYKO-UHFFFAOYSA-N 2 1 349.479 1.486 20 0 EDADMP Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646103504 453103426 /nfs/dbraw/zinc/10/34/26/453103426.db2.gz VYGGOXUNUNKATR-GOSISDBHSA-N 2 1 348.487 1.840 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@H+](CCOCC(F)(F)C(F)F)CCO2 ZINC000646106007 453108444 /nfs/dbraw/zinc/10/84/44/453108444.db2.gz OSCVFZIXBLSEPG-UHFFFAOYSA-N 2 1 328.350 1.700 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](CCOCC(F)(F)C(F)F)CCO2 ZINC000646106007 453108450 /nfs/dbraw/zinc/10/84/50/453108450.db2.gz OSCVFZIXBLSEPG-UHFFFAOYSA-N 2 1 328.350 1.700 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662402924 453114613 /nfs/dbraw/zinc/11/46/13/453114613.db2.gz GPZZATQOSUXIKI-KGLIPLIRSA-N 2 1 334.464 1.992 20 0 EDADMP [NH3+]CCCOC1CCN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662427971 453136212 /nfs/dbraw/zinc/13/62/12/453136212.db2.gz GEVOVWSZCCHXOL-OAHLLOKOSA-N 2 1 327.375 1.321 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN[C@@H](CO)c1ccc(Br)cc1 ZINC000660237423 453147453 /nfs/dbraw/zinc/14/74/53/453147453.db2.gz CJBCCDQVWUPZHW-CABCVRRESA-N 2 1 345.281 1.773 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN[C@H](CO)c1ccc(Br)cc1 ZINC000660237425 453147477 /nfs/dbraw/zinc/14/74/77/453147477.db2.gz CJBCCDQVWUPZHW-HUUCEWRRSA-N 2 1 345.281 1.773 20 0 EDADMP C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662472860 453183282 /nfs/dbraw/zinc/18/32/82/453183282.db2.gz WBCUJKVBEZZHIK-KBAYOESNSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662472860 453183283 /nfs/dbraw/zinc/18/32/83/453183283.db2.gz WBCUJKVBEZZHIK-KBAYOESNSA-N 2 1 331.460 1.392 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N(C)CC1C[NH+](C)C1)[NH+]1CCOCC1 ZINC000660297819 453186391 /nfs/dbraw/zinc/18/63/91/453186391.db2.gz CFNBPJPFPAHVRV-QGZVFWFLSA-N 2 1 340.512 1.326 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](Cn2cc([C@H]([NH3+])c3ccccc3)nn2)C1 ZINC000656448912 453190038 /nfs/dbraw/zinc/19/00/38/453190038.db2.gz PQFQMFHOZCIFLM-SJLPKXTDSA-N 2 1 329.448 1.683 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662494093 453211593 /nfs/dbraw/zinc/21/15/93/453211593.db2.gz WBYXICQDHNBCKU-LPHOPBHVSA-N 2 1 344.503 1.611 20 0 EDADMP CN(c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1)S(C)(=O)=O ZINC000656496769 453225750 /nfs/dbraw/zinc/22/57/50/453225750.db2.gz ZZDGVASQKYPVLN-UHFFFAOYSA-N 2 1 337.489 1.799 20 0 EDADMP [NH3+][C@@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1Br ZINC000662514690 453233339 /nfs/dbraw/zinc/23/33/39/453233339.db2.gz NXISODNQCUSVQY-UKRRQHHQSA-N 2 1 338.249 1.661 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666912847 453236177 /nfs/dbraw/zinc/23/61/77/453236177.db2.gz JBHZBSONGZQCHE-INIZCTEOSA-N 2 1 346.475 1.568 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000648770422 453248277 /nfs/dbraw/zinc/24/82/77/453248277.db2.gz CXPGJQWDBMJJLC-QGZVFWFLSA-N 2 1 334.464 1.083 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000648770422 453248287 /nfs/dbraw/zinc/24/82/87/453248287.db2.gz CXPGJQWDBMJJLC-QGZVFWFLSA-N 2 1 334.464 1.083 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000653108653 453291291 /nfs/dbraw/zinc/29/12/91/453291291.db2.gz CSNRMHKHGPZMGY-APWZRJJASA-N 2 1 346.519 1.814 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000653113388 453300214 /nfs/dbraw/zinc/30/02/14/453300214.db2.gz AUBARHFNBPUEOO-ZBFHGGJFSA-N 2 1 338.521 1.355 20 0 EDADMP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000653114889 453302609 /nfs/dbraw/zinc/30/26/09/453302609.db2.gz ZXQRAJWSLQJMDB-OAHLLOKOSA-N 2 1 336.505 1.453 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653151709 453339896 /nfs/dbraw/zinc/33/98/96/453339896.db2.gz POHGKWZVPJONDH-SJLPKXTDSA-N 2 1 332.492 1.388 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H]1c1ccc(Cl)cc1 ZINC000653154198 453341529 /nfs/dbraw/zinc/34/15/29/453341529.db2.gz LDHNBIRLMNAXSW-SCNOPHJPSA-N 2 1 349.862 1.437 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H]1c1ccc(Cl)cc1 ZINC000653154198 453341534 /nfs/dbraw/zinc/34/15/34/453341534.db2.gz LDHNBIRLMNAXSW-SCNOPHJPSA-N 2 1 349.862 1.437 20 0 EDADMP CC[N@@H+](CCCNC(=O)NC[C@]1(O)CC[NH+](C)C1)C1CCCCC1 ZINC000651219652 453372339 /nfs/dbraw/zinc/37/23/39/453372339.db2.gz DAVSEHSYYKZTCM-GOSISDBHSA-N 2 1 340.512 1.397 20 0 EDADMP CC[NH+](CCCNC(=O)NC[C@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000651219652 453372346 /nfs/dbraw/zinc/37/23/46/453372346.db2.gz DAVSEHSYYKZTCM-GOSISDBHSA-N 2 1 340.512 1.397 20 0 EDADMP CC[NH+](CCCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000651219652 453372356 /nfs/dbraw/zinc/37/23/56/453372356.db2.gz DAVSEHSYYKZTCM-GOSISDBHSA-N 2 1 340.512 1.397 20 0 EDADMP COCCCOCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000667054713 453372298 /nfs/dbraw/zinc/37/22/98/453372298.db2.gz SBEFVVUVKUAJOF-UHFFFAOYSA-N 2 1 336.436 1.215 20 0 EDADMP c1ccc2c(c1)CCC([NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000651231425 453381728 /nfs/dbraw/zinc/38/17/28/453381728.db2.gz DPWDXWJWBAYCSM-NRFANRHFSA-N 2 1 343.515 1.930 20 0 EDADMP Cn1nnnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000651256281 453402468 /nfs/dbraw/zinc/40/24/68/453402468.db2.gz DLMCQVVOZIPVSI-KZNAEPCWSA-N 2 1 340.475 1.785 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000662699482 453420424 /nfs/dbraw/zinc/42/04/24/453420424.db2.gz AYGLSCJJEGUZDL-AWEZNQCLSA-N 2 1 348.447 1.019 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000662704586 453425626 /nfs/dbraw/zinc/42/56/26/453425626.db2.gz FABRXLITFHKXDB-KONPQCLYSA-N 2 1 333.476 1.136 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NCc2nccn2CC(F)(F)F)C1 ZINC000660590056 453430256 /nfs/dbraw/zinc/43/02/56/453430256.db2.gz MPBBYFNNHQGOCW-NSHDSACASA-N 2 1 333.358 1.729 20 0 EDADMP CCO[C@@H]1CN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000653247882 453432647 /nfs/dbraw/zinc/43/26/47/453432647.db2.gz WQXJZKDSIJVJCI-BMGDILEWSA-N 2 1 331.460 1.255 20 0 EDADMP CCO[C@@H]1CN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000653247882 453432655 /nfs/dbraw/zinc/43/26/55/453432655.db2.gz WQXJZKDSIJVJCI-BMGDILEWSA-N 2 1 331.460 1.255 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662715372 453440088 /nfs/dbraw/zinc/44/00/88/453440088.db2.gz NGVNRJCRYHWPJJ-HUUCEWRRSA-N 2 1 334.468 1.197 20 0 EDADMP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000656787229 453448090 /nfs/dbraw/zinc/44/80/90/453448090.db2.gz HNXNAPKZMYSBHR-XOYOTBSWSA-N 2 1 341.455 1.492 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H](C)[NH3+] ZINC000662741033 453467898 /nfs/dbraw/zinc/46/78/98/453467898.db2.gz CECZXQXEYDUCML-QRQLOZEOSA-N 2 1 346.519 1.538 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H](C)[NH3+] ZINC000662741033 453467906 /nfs/dbraw/zinc/46/79/06/453467906.db2.gz CECZXQXEYDUCML-QRQLOZEOSA-N 2 1 346.519 1.538 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@H]1F ZINC000662748367 453479055 /nfs/dbraw/zinc/47/90/55/453479055.db2.gz RIZRLYGBTHIXLM-GVDBMIGSSA-N 2 1 335.423 1.175 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@H]1F ZINC000662748367 453479061 /nfs/dbraw/zinc/47/90/61/453479061.db2.gz RIZRLYGBTHIXLM-GVDBMIGSSA-N 2 1 335.423 1.175 20 0 EDADMP [NH3+][C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc(F)cc1F ZINC000662784518 453517835 /nfs/dbraw/zinc/51/78/35/453517835.db2.gz KNLVWDUWELYEIF-PMPSAXMXSA-N 2 1 339.386 1.319 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000660702266 453526512 /nfs/dbraw/zinc/52/65/12/453526512.db2.gz WZXSCXVBNFKBEQ-HUUCEWRRSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000660702266 453526504 /nfs/dbraw/zinc/52/65/04/453526504.db2.gz WZXSCXVBNFKBEQ-HUUCEWRRSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000660702266 453526508 /nfs/dbraw/zinc/52/65/08/453526508.db2.gz WZXSCXVBNFKBEQ-HUUCEWRRSA-N 2 1 326.485 1.269 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655449898 453536777 /nfs/dbraw/zinc/53/67/77/453536777.db2.gz UPEFYVCWTFCFLM-KSSFIOAISA-N 3 1 329.448 1.162 20 0 EDADMP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000662801778 453537759 /nfs/dbraw/zinc/53/77/59/453537759.db2.gz LCLHFAPJMPXFHR-ZWKOTPCHSA-N 2 1 345.487 1.782 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cn([C@H]4CCC[NH2+]CC4)nn3)CC[C@H]21 ZINC000662804716 453540450 /nfs/dbraw/zinc/54/04/50/453540450.db2.gz RYFYEVPNCITLOU-HLLBOEOZSA-N 2 1 346.479 1.149 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000667330480 453563823 /nfs/dbraw/zinc/56/38/23/453563823.db2.gz FPAMJLQIBGUOPQ-GOSISDBHSA-N 2 1 348.491 1.481 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662857467 453572816 /nfs/dbraw/zinc/57/28/16/453572816.db2.gz BJSBADSOSWQRIZ-KURKYZTESA-N 2 1 331.460 1.258 20 0 EDADMP COC1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665115007 453579705 /nfs/dbraw/zinc/57/97/05/453579705.db2.gz BAJSGTHUDMEZSK-FHERZECASA-N 2 1 328.501 1.515 20 0 EDADMP COC1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665115007 453579708 /nfs/dbraw/zinc/57/97/08/453579708.db2.gz BAJSGTHUDMEZSK-FHERZECASA-N 2 1 328.501 1.515 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)C[C@@H]21 ZINC000659040330 453594921 /nfs/dbraw/zinc/59/49/21/453594921.db2.gz FJUDSIXHJSKFFB-PVAVHDDUSA-N 2 1 330.432 1.515 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](CCO[C@H]3CC3(F)F)CC2)CC1 ZINC000660835307 453596969 /nfs/dbraw/zinc/59/69/69/453596969.db2.gz UITWFXYISQSRPH-INIZCTEOSA-N 2 1 331.451 1.903 20 0 EDADMP CC[C@@]1(C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662941241 453617067 /nfs/dbraw/zinc/61/70/67/453617067.db2.gz UFCZVKSTUZBKTN-QUCCMNQESA-N 2 1 344.503 1.451 20 0 EDADMP CC[C@@]1(C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662941241 453617070 /nfs/dbraw/zinc/61/70/70/453617070.db2.gz UFCZVKSTUZBKTN-QUCCMNQESA-N 2 1 344.503 1.451 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000660863646 453620486 /nfs/dbraw/zinc/62/04/86/453620486.db2.gz YUIANZPOZXONOV-SLFFLAALSA-N 2 1 331.504 1.894 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000660863646 453620487 /nfs/dbraw/zinc/62/04/87/453620487.db2.gz YUIANZPOZXONOV-SLFFLAALSA-N 2 1 331.504 1.894 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000660863646 453620489 /nfs/dbraw/zinc/62/04/89/453620489.db2.gz YUIANZPOZXONOV-SLFFLAALSA-N 2 1 331.504 1.894 20 0 EDADMP C[C@@H]1[C@H](CO)CCC[NH+]1CC1(C[N@@H+]2CCC[C@H](CO)[C@H]2C)COC1 ZINC000665270642 453630981 /nfs/dbraw/zinc/63/09/81/453630981.db2.gz KFXWIGRVZCYXMA-TVFCKZIOSA-N 2 1 340.508 1.189 20 0 EDADMP C[C@@H]1[C@@H](CO)CCC[NH+]1CC1(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)COC1 ZINC000665270642 453630984 /nfs/dbraw/zinc/63/09/84/453630984.db2.gz KFXWIGRVZCYXMA-TVFCKZIOSA-N 2 1 340.508 1.189 20 0 EDADMP C[C@@H]1[C@@H](CO)CCC[NH+]1CC1(C[N@H+]2CCC[C@@H](CO)[C@H]2C)COC1 ZINC000665270642 453630985 /nfs/dbraw/zinc/63/09/85/453630985.db2.gz KFXWIGRVZCYXMA-TVFCKZIOSA-N 2 1 340.508 1.189 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000665354805 453662999 /nfs/dbraw/zinc/66/29/99/453662999.db2.gz ATICMUSNCGHOHK-HZPDHXFCSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000665354805 453663002 /nfs/dbraw/zinc/66/30/02/453663002.db2.gz ATICMUSNCGHOHK-HZPDHXFCSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000665354805 453663004 /nfs/dbraw/zinc/66/30/04/453663004.db2.gz ATICMUSNCGHOHK-HZPDHXFCSA-N 2 1 338.496 1.100 20 0 EDADMP Cc1cc(N2CCC(NC(=O)C3([NH3+])CC4(CCC4)C3)CC2)nc(C)[nH+]1 ZINC000659287932 453702678 /nfs/dbraw/zinc/70/26/78/453702678.db2.gz OITLZZVDWYPYIP-UHFFFAOYSA-N 2 1 343.475 1.840 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C2CCC2)CC1 ZINC000661155760 453739284 /nfs/dbraw/zinc/73/92/84/453739284.db2.gz RVUNAWLXXSKQMY-LJQANCHMSA-N 2 1 345.487 1.390 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000665553170 453744712 /nfs/dbraw/zinc/74/47/12/453744712.db2.gz PKTKTBZBCGLZNI-GJZGRUSLSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000665553170 453744714 /nfs/dbraw/zinc/74/47/14/453744714.db2.gz PKTKTBZBCGLZNI-GJZGRUSLSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000665553170 453744715 /nfs/dbraw/zinc/74/47/15/453744715.db2.gz PKTKTBZBCGLZNI-GJZGRUSLSA-N 2 1 326.485 1.005 20 0 EDADMP CCN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000663443320 453800279 /nfs/dbraw/zinc/80/02/79/453800279.db2.gz DBXANGFLFGJFPA-ROUUACIJSA-N 2 1 332.492 1.895 20 0 EDADMP Cc1ncsc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663513640 453813325 /nfs/dbraw/zinc/81/33/25/453813325.db2.gz SUFBDAKYJWLXHP-AWEZNQCLSA-N 2 1 346.504 1.964 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000676502128 486788637 /nfs/dbraw/zinc/78/86/37/486788637.db2.gz OINZJMXFJJKELN-ZACQAIPSSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000676502128 486788644 /nfs/dbraw/zinc/78/86/44/486788644.db2.gz OINZJMXFJJKELN-ZACQAIPSSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000676502128 486788650 /nfs/dbraw/zinc/78/86/50/486788650.db2.gz OINZJMXFJJKELN-ZACQAIPSSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000676502128 486788656 /nfs/dbraw/zinc/78/86/56/486788656.db2.gz OINZJMXFJJKELN-ZACQAIPSSA-N 2 1 340.512 1.373 20 0 EDADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000672753965 486790589 /nfs/dbraw/zinc/79/05/89/486790589.db2.gz DBFKUSJTFCGKGS-WBVHZDCISA-N 2 1 334.464 1.691 20 0 EDADMP CCO[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000680834700 486865066 /nfs/dbraw/zinc/86/50/66/486865066.db2.gz KORDCEPYTWVKCE-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP CCO[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000680834700 486865071 /nfs/dbraw/zinc/86/50/71/486865071.db2.gz KORDCEPYTWVKCE-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000683989091 486899126 /nfs/dbraw/zinc/89/91/26/486899126.db2.gz VQIZTQVZADJNDY-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000683989091 486899133 /nfs/dbraw/zinc/89/91/33/486899133.db2.gz VQIZTQVZADJNDY-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000673531108 487050439 /nfs/dbraw/zinc/05/04/39/487050439.db2.gz NEJXKSFXALAABQ-ROUUACIJSA-N 2 1 331.460 1.224 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000673531108 487050447 /nfs/dbraw/zinc/05/04/47/487050447.db2.gz NEJXKSFXALAABQ-ROUUACIJSA-N 2 1 331.460 1.224 20 0 EDADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC1)C2 ZINC000677360743 487056315 /nfs/dbraw/zinc/05/63/15/487056315.db2.gz PBQKZBUTYSCNKN-WFFDWFOESA-N 2 1 334.508 1.240 20 0 EDADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673674874 487088724 /nfs/dbraw/zinc/08/87/24/487088724.db2.gz HZOGZVUNLFUCEV-GOSISDBHSA-N 2 1 346.475 1.009 20 0 EDADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673674874 487088728 /nfs/dbraw/zinc/08/87/28/487088728.db2.gz HZOGZVUNLFUCEV-GOSISDBHSA-N 2 1 346.475 1.009 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000674038410 487189797 /nfs/dbraw/zinc/18/97/97/487189797.db2.gz CBLDFOMFGMDLLN-OAHLLOKOSA-N 2 1 332.448 1.206 20 0 EDADMP CCNC(=O)C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000678192811 487263555 /nfs/dbraw/zinc/26/35/55/487263555.db2.gz QWPWKAQEFRRRBA-UHFFFAOYSA-N 2 1 332.492 1.785 20 0 EDADMP CCNC(=O)C[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000678192811 487263558 /nfs/dbraw/zinc/26/35/58/487263558.db2.gz QWPWKAQEFRRRBA-UHFFFAOYSA-N 2 1 332.492 1.785 20 0 EDADMP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2nccs2)CC1 ZINC000685453594 487277479 /nfs/dbraw/zinc/27/74/79/487277479.db2.gz GLBKYVWAWWVNBN-UHFFFAOYSA-N 2 1 336.505 1.957 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccccc3-n3cncn3)CC2)C1 ZINC000678258913 487277862 /nfs/dbraw/zinc/27/78/62/487277862.db2.gz RRTGJBBNPRANQV-SFHVURJKSA-N 2 1 340.475 1.479 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccccc3-n3cncn3)CC2)C1 ZINC000678258913 487277866 /nfs/dbraw/zinc/27/78/66/487277866.db2.gz RRTGJBBNPRANQV-SFHVURJKSA-N 2 1 340.475 1.479 20 0 EDADMP NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678341846 487291815 /nfs/dbraw/zinc/29/18/15/487291815.db2.gz GZRNIXHGXHZXNN-MRXNPFEDSA-N 2 1 332.448 1.404 20 0 EDADMP CCOc1nc(C)ccc1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000682900792 487428143 /nfs/dbraw/zinc/42/81/43/487428143.db2.gz XQWRANBDUYNLME-HNNXBMFYSA-N 2 1 346.475 1.687 20 0 EDADMP CCOc1nc(C)ccc1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000682900792 487428144 /nfs/dbraw/zinc/42/81/44/487428144.db2.gz XQWRANBDUYNLME-HNNXBMFYSA-N 2 1 346.475 1.687 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000669555924 485558038 /nfs/dbraw/zinc/55/80/38/485558038.db2.gz OQKVNYFNYJKHQI-HOCLYGCPSA-N 2 1 331.464 1.869 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669573788 485605678 /nfs/dbraw/zinc/60/56/78/485605678.db2.gz YINQGPPANHOHOM-FHWLQOOXSA-N 2 1 342.487 1.902 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000668347785 485614192 /nfs/dbraw/zinc/61/41/92/485614192.db2.gz DWBJQWVEZMYCSA-SJORKVTESA-N 2 1 346.475 1.006 20 0 EDADMP Cc1cc(CNC(=O)NC[C@H]2CCCC[NH2+]2)cc(N2CCCC2)[nH+]1 ZINC000669588578 485643440 /nfs/dbraw/zinc/64/34/40/485643440.db2.gz DCRMJDZQQCRROF-MRXNPFEDSA-N 2 1 331.464 1.932 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)c3cccn3C3CC[NH2+]CC3)CC[C@H]21 ZINC000325195522 485664375 /nfs/dbraw/zinc/66/43/75/485664375.db2.gz DSIHGYJSBFFLAK-DOTOQJQBSA-N 2 1 330.476 1.969 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000669128549 485712288 /nfs/dbraw/zinc/71/22/88/485712288.db2.gz APHHTKWVTHAKOI-CRAIPNDOSA-N 2 1 348.491 1.784 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000345370590 485973822 /nfs/dbraw/zinc/97/38/22/485973822.db2.gz GCKNSJFIQXQGGV-JQHSSLGASA-N 2 1 337.508 1.534 20 0 EDADMP CON1CCC(CC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000668689458 486051407 /nfs/dbraw/zinc/05/14/07/486051407.db2.gz RXHMRWCPEVVEBU-UHFFFAOYSA-N 2 1 340.512 1.134 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000669472248 486226087 /nfs/dbraw/zinc/22/60/87/486226087.db2.gz FTUKWDPEWCLRFU-ZDUSSCGKSA-N 2 1 327.432 1.930 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000669474137 486227921 /nfs/dbraw/zinc/22/79/21/486227921.db2.gz CRILREUXVAPCTG-NJAFHUGGSA-N 2 1 330.476 1.900 20 0 EDADMP Cc1nccc([C@H]2CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000669927716 486513925 /nfs/dbraw/zinc/51/39/25/486513925.db2.gz FFNHZEOBASEWMR-INIZCTEOSA-N 2 1 331.464 1.129 20 0 EDADMP Cc1nccc([C@H]2CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000669927716 486513927 /nfs/dbraw/zinc/51/39/27/486513927.db2.gz FFNHZEOBASEWMR-INIZCTEOSA-N 2 1 331.464 1.129 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)ccn1 ZINC000136992300 491232296 /nfs/dbraw/zinc/23/22/96/491232296.db2.gz AUWPPSTXDAUBEC-MRXNPFEDSA-N 2 1 332.448 1.236 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494672 490998467 /nfs/dbraw/zinc/99/84/67/490998467.db2.gz FKLQGCMHQMHWDK-XIRDDKMYSA-N 2 1 332.448 1.019 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494672 490998469 /nfs/dbraw/zinc/99/84/69/490998469.db2.gz FKLQGCMHQMHWDK-XIRDDKMYSA-N 2 1 332.448 1.019 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)[NH+](C)C ZINC000078750124 491002452 /nfs/dbraw/zinc/00/24/52/491002452.db2.gz UVIXSCFXUMFIKB-WMLDXEAASA-N 2 1 346.475 1.741 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000073471653 491008881 /nfs/dbraw/zinc/00/88/81/491008881.db2.gz YIEOUYQSTHCKLW-QGZVFWFLSA-N 2 1 335.448 1.676 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000073471653 491008882 /nfs/dbraw/zinc/00/88/82/491008882.db2.gz YIEOUYQSTHCKLW-QGZVFWFLSA-N 2 1 335.448 1.676 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1C1CC1 ZINC000127607160 491016715 /nfs/dbraw/zinc/01/67/15/491016715.db2.gz JBVFJURHNPATQT-HUUCEWRRSA-N 2 1 329.448 1.538 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000382650448 491020063 /nfs/dbraw/zinc/02/00/63/491020063.db2.gz UPLNIKKUIHARIE-IBGZPJMESA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000382650448 491020064 /nfs/dbraw/zinc/02/00/64/491020064.db2.gz UPLNIKKUIHARIE-IBGZPJMESA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000382650448 491020065 /nfs/dbraw/zinc/02/00/65/491020065.db2.gz UPLNIKKUIHARIE-IBGZPJMESA-N 2 1 349.519 1.522 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262638095 536448703 /nfs/dbraw/zinc/44/87/03/536448703.db2.gz ITJAHAIKSQDWQH-HIFRSBDPSA-N 2 1 332.448 1.178 20 0 EDADMP CC1CC[NH+](CCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000153489593 528243412 /nfs/dbraw/zinc/24/34/12/528243412.db2.gz XLPXDHURGWGQDJ-UHFFFAOYSA-N 2 1 340.512 1.207 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C[C@@H]1CC ZINC000168075437 528746556 /nfs/dbraw/zinc/74/65/56/528746556.db2.gz TYOPFDMNRAUZGD-ZWKOTPCHSA-N 2 1 333.476 1.516 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000339612000 534996690 /nfs/dbraw/zinc/99/66/90/534996690.db2.gz MAOKCQJVNMDHAC-KRWDZBQOSA-N 2 1 340.512 1.326 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000236691720 535144459 /nfs/dbraw/zinc/14/44/59/535144459.db2.gz QCCIKZPOQHCPJC-MOPGFXCFSA-N 2 1 347.503 1.810 20 0 EDADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346650361 535157243 /nfs/dbraw/zinc/15/72/43/535157243.db2.gz CATLMNKZQKJATN-HOCLYGCPSA-N 2 1 347.507 1.787 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000352567826 535265700 /nfs/dbraw/zinc/26/57/00/535265700.db2.gz PUKAGGXWZQUVHJ-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP CCn1nccc1/C=C/C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000269931571 535593487 /nfs/dbraw/zinc/59/34/87/535593487.db2.gz AXDCVLIUYHKLMW-BBVFFXRHSA-N 2 1 347.507 1.791 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262655776 535690910 /nfs/dbraw/zinc/69/09/10/535690910.db2.gz UJUDSFBFKLGULG-MJGOQNOKSA-N 2 1 346.519 1.856 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH2+]CCOC ZINC000262627456 535771172 /nfs/dbraw/zinc/77/11/72/535771172.db2.gz CEUMRHDOHUVSCJ-GOSISDBHSA-N 2 1 333.476 1.593 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237139362 536372223 /nfs/dbraw/zinc/37/22/23/536372223.db2.gz BZVKOOPWARAFQY-FQEVSTJZSA-N 2 1 344.503 1.657 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000339526403 536868127 /nfs/dbraw/zinc/86/81/27/536868127.db2.gz BEZRGEHALSXANW-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP C[C@H]([C@H](C)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1)S(C)(=O)=O ZINC000093420242 578306222 /nfs/dbraw/zinc/30/62/22/578306222.db2.gz GTKSREZERFXLEL-LSDHHAIUSA-N 2 1 342.505 1.880 20 0 EDADMP C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1)S(C)(=O)=O ZINC000093420242 578306224 /nfs/dbraw/zinc/30/62/24/578306224.db2.gz GTKSREZERFXLEL-LSDHHAIUSA-N 2 1 342.505 1.880 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759900785 580018523 /nfs/dbraw/zinc/01/85/23/580018523.db2.gz QVOBIZFVWNVSDR-OAHLLOKOSA-N 2 1 325.416 1.725 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759900785 580018524 /nfs/dbraw/zinc/01/85/24/580018524.db2.gz QVOBIZFVWNVSDR-OAHLLOKOSA-N 2 1 325.416 1.725 20 0 EDADMP CC1=C(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C(=O)OC1(C)C ZINC000732560419 578717848 /nfs/dbraw/zinc/71/78/48/578717848.db2.gz YYRRXPYZFSYMOR-HNNXBMFYSA-N 2 1 349.475 1.265 20 0 EDADMP CC[N@@H+]1CCO[C@H](CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000734951171 578849159 /nfs/dbraw/zinc/84/91/59/578849159.db2.gz QFXKEVFWJCOWAC-GOSISDBHSA-N 2 1 348.491 1.610 20 0 EDADMP CC[N@H+]1CCO[C@H](CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000734951171 578849160 /nfs/dbraw/zinc/84/91/60/578849160.db2.gz QFXKEVFWJCOWAC-GOSISDBHSA-N 2 1 348.491 1.610 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000735282261 578874017 /nfs/dbraw/zinc/87/40/17/578874017.db2.gz INKTUHAULCVKLE-NJAFHUGGSA-N 2 1 331.460 1.204 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000735282261 578874018 /nfs/dbraw/zinc/87/40/18/578874018.db2.gz INKTUHAULCVKLE-NJAFHUGGSA-N 2 1 331.460 1.204 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1C[C@H](O)c1ccccc1 ZINC000735282261 578874019 /nfs/dbraw/zinc/87/40/19/578874019.db2.gz INKTUHAULCVKLE-NJAFHUGGSA-N 2 1 331.460 1.204 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1C[C@H](O)c1ccccc1 ZINC000735282261 578874020 /nfs/dbraw/zinc/87/40/20/578874020.db2.gz INKTUHAULCVKLE-NJAFHUGGSA-N 2 1 331.460 1.204 20 0 EDADMP c1cc(N2CCCC2)nc(NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]1 ZINC000736298131 578974043 /nfs/dbraw/zinc/97/40/43/578974043.db2.gz PUXGZWSDNQOAHU-OAHLLOKOSA-N 2 1 331.464 1.990 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000761550477 580059095 /nfs/dbraw/zinc/05/90/95/580059095.db2.gz OFVRNWYSHKBPRM-HZPDHXFCSA-N 2 1 342.553 1.436 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000761550477 580059096 /nfs/dbraw/zinc/05/90/96/580059096.db2.gz OFVRNWYSHKBPRM-HZPDHXFCSA-N 2 1 342.553 1.436 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000761550477 580059097 /nfs/dbraw/zinc/05/90/97/580059097.db2.gz OFVRNWYSHKBPRM-HZPDHXFCSA-N 2 1 342.553 1.436 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H](CNC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000745728924 579559885 /nfs/dbraw/zinc/55/98/85/579559885.db2.gz BUFMKIKFZAWQPY-MRXNPFEDSA-N 2 1 342.553 1.293 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000745728924 579559886 /nfs/dbraw/zinc/55/98/86/579559886.db2.gz BUFMKIKFZAWQPY-MRXNPFEDSA-N 2 1 342.553 1.293 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=S)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000768478333 580214437 /nfs/dbraw/zinc/21/44/37/580214437.db2.gz BSUAJFKFYVJKDX-CABCVRRESA-N 2 1 326.554 1.865 20 0 EDADMP C[C@H]([NH2+][C@@H](CCO)C1CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000771801357 580294480 /nfs/dbraw/zinc/29/44/80/580294480.db2.gz RWGCNBIOFZUCMR-IPELMVKDSA-N 2 1 345.487 1.516 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)C2CC2)CC1 ZINC000771806075 580294732 /nfs/dbraw/zinc/29/47/32/580294732.db2.gz HXZQXMYHYQGNQM-QAPCUYQASA-N 2 1 331.460 1.252 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2cccc(C(=O)N(C)C)c2)C1 ZINC000779652231 580493109 /nfs/dbraw/zinc/49/31/09/580493109.db2.gz GOOLSHDQWWKBMK-INIZCTEOSA-N 2 1 348.447 1.496 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cccc(C(=O)N(C)C)c2)C1 ZINC000779652231 580493110 /nfs/dbraw/zinc/49/31/10/580493110.db2.gz GOOLSHDQWWKBMK-INIZCTEOSA-N 2 1 348.447 1.496 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccccc1CO ZINC000779764512 580496572 /nfs/dbraw/zinc/49/65/72/580496572.db2.gz QFRNMRSMQYSEEI-LJQANCHMSA-N 2 1 347.503 1.596 20 0 EDADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)CC[NH+]3CCOCC3)cccc21 ZINC000790237979 580764693 /nfs/dbraw/zinc/76/46/93/580764693.db2.gz KBPWLGAVEUZFRU-MRXNPFEDSA-N 2 1 333.432 1.733 20 0 EDADMP O=C1O[C@@]2(CN1C[NH+]1CCC([C@H]3CCOC3)CC1)C[NH+]1CCC2CC1 ZINC000790383440 580768043 /nfs/dbraw/zinc/76/80/43/580768043.db2.gz IYECHPRJQWKDAR-QFBILLFUSA-N 2 1 349.475 1.609 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC000794337821 580887720 /nfs/dbraw/zinc/88/77/20/580887720.db2.gz ASJGPYDRAHLWDQ-UHFFFAOYSA-N 2 1 343.431 1.724 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCCO1 ZINC000891857711 590659694 /nfs/dbraw/zinc/65/96/94/590659694.db2.gz DQFLCFHUSMNGQS-UONOGXRCSA-N 2 1 348.438 1.031 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891957134 590707566 /nfs/dbraw/zinc/70/75/66/590707566.db2.gz UIYXBCVBJLNUQL-HZPDHXFCSA-N 2 1 338.496 1.176 20 0 EDADMP C[C@@]12CN(C(=O)N[C@@H]3CCC[NH2+]C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000892017114 590748663 /nfs/dbraw/zinc/74/86/63/590748663.db2.gz RFFCVKKWAOJBHZ-NLWGTHIKSA-N 2 1 342.487 1.902 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000892047750 590770710 /nfs/dbraw/zinc/77/07/10/590770710.db2.gz CBFKUAOXGOPAEI-QZTJIDSGSA-N 2 1 346.475 1.232 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000892047750 590770715 /nfs/dbraw/zinc/77/07/15/590770715.db2.gz CBFKUAOXGOPAEI-QZTJIDSGSA-N 2 1 346.475 1.232 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000892127658 590813176 /nfs/dbraw/zinc/81/31/76/590813176.db2.gz YBUXYQJYXWQBHT-IRXDYDNUSA-N 2 1 348.491 1.611 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000892148302 590822434 /nfs/dbraw/zinc/82/24/34/590822434.db2.gz XKAGFQOTIBIWED-IAGOWNOFSA-N 2 1 334.464 1.232 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000892148302 590822437 /nfs/dbraw/zinc/82/24/37/590822437.db2.gz XKAGFQOTIBIWED-IAGOWNOFSA-N 2 1 334.464 1.232 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000890883303 590831215 /nfs/dbraw/zinc/83/12/15/590831215.db2.gz QPJKTPCSYBIIMW-SFHVURJKSA-N 2 1 347.503 1.934 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000890883303 590831221 /nfs/dbraw/zinc/83/12/21/590831221.db2.gz QPJKTPCSYBIIMW-SFHVURJKSA-N 2 1 347.503 1.934 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000892212494 590866862 /nfs/dbraw/zinc/86/68/62/590866862.db2.gz QWMPTYKDISVACU-NLWGTHIKSA-N 2 1 344.503 1.752 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892321997 590943914 /nfs/dbraw/zinc/94/39/14/590943914.db2.gz GXVZHMWCOKXVDO-KBAYOESNSA-N 2 1 330.476 1.887 20 0 EDADMP C[NH+]1CCC(CNc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000892339749 590967862 /nfs/dbraw/zinc/96/78/62/590967862.db2.gz JUZOZORFARFGJO-SFHVURJKSA-N 2 1 330.476 1.890 20 0 EDADMP [NH3+][C@H](CCNC(=O)NC[C@H]1CCCC[N@H+]1CCO)Cc1ccccc1 ZINC000892407752 591015296 /nfs/dbraw/zinc/01/52/96/591015296.db2.gz DQYPYVQCVHSTME-QZTJIDSGSA-N 2 1 348.491 1.093 20 0 EDADMP [NH3+][C@H](CCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)Cc1ccccc1 ZINC000892407913 591015378 /nfs/dbraw/zinc/01/53/78/591015378.db2.gz JAIQXVOLNGAYLF-MSOLQXFVSA-N 2 1 348.491 1.093 20 0 EDADMP CCc1c[nH]c2nc[nH+]c(NC3CC[NH+](CCC(=O)N(C)C)CC3)c12 ZINC000892434218 591027237 /nfs/dbraw/zinc/02/72/37/591027237.db2.gz FPDGDPSQJYMUAE-UHFFFAOYSA-N 2 1 344.463 1.875 20 0 EDADMP C[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000891458545 591078088 /nfs/dbraw/zinc/07/80/88/591078088.db2.gz AMELKQBIWQALBG-UHFFFAOYSA-N 2 1 337.489 1.335 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000891459908 591078134 /nfs/dbraw/zinc/07/81/34/591078134.db2.gz FUTRVQKQQQDIBI-PKOBYXMFSA-N 2 1 330.476 1.889 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1CCCC1 ZINC000891517878 591102979 /nfs/dbraw/zinc/10/29/79/591102979.db2.gz MQIWADAQWXSISP-QGZVFWFLSA-N 2 1 330.476 1.875 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891537558 591112066 /nfs/dbraw/zinc/11/20/66/591112066.db2.gz KRBFIUURBPTUFV-QZTJIDSGSA-N 2 1 346.475 1.111 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891540182 591116699 /nfs/dbraw/zinc/11/66/99/591116699.db2.gz MEEGQRCWGFNOBZ-XQQFMLRXSA-N 2 1 336.402 1.639 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NCc1cccc2c1CC[NH2+]C2 ZINC000891547003 591117604 /nfs/dbraw/zinc/11/76/04/591117604.db2.gz VYYFXMWCUOXAJT-UHFFFAOYSA-N 2 1 334.489 1.180 20 0 EDADMP CN1Cc2ccccc2[C@H](NC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1 ZINC000893854504 591117629 /nfs/dbraw/zinc/11/76/29/591117629.db2.gz APJZSBKXSFNLNT-SUMDDJOVSA-N 2 1 328.460 1.766 20 0 EDADMP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@@H]3C[NH+](C)Cc4ccccc43)C[C@]2(C)C1 ZINC000893854504 591117631 /nfs/dbraw/zinc/11/76/31/591117631.db2.gz APJZSBKXSFNLNT-SUMDDJOVSA-N 2 1 328.460 1.766 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)N[C@@H]3C[NH+](C)Cc4ccccc43)C[C@]2(C)C1 ZINC000893854504 591117633 /nfs/dbraw/zinc/11/76/33/591117633.db2.gz APJZSBKXSFNLNT-SUMDDJOVSA-N 2 1 328.460 1.766 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)C[C@]2(C)C1 ZINC000893854504 591117635 /nfs/dbraw/zinc/11/76/35/591117635.db2.gz APJZSBKXSFNLNT-SUMDDJOVSA-N 2 1 328.460 1.766 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)C[C@]2(C)C1 ZINC000893854504 591117636 /nfs/dbraw/zinc/11/76/36/591117636.db2.gz APJZSBKXSFNLNT-SUMDDJOVSA-N 2 1 328.460 1.766 20 0 EDADMP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000891547267 591118030 /nfs/dbraw/zinc/11/80/30/591118030.db2.gz ZEYLCQNSMVJJNM-MRXNPFEDSA-N 2 1 328.526 1.442 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891580571 591136198 /nfs/dbraw/zinc/13/61/98/591136198.db2.gz XZXLBUWDWLHCNG-KBPBESRZSA-N 2 1 332.439 1.795 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C[N@H+]1C1CC1 ZINC000891659334 591172220 /nfs/dbraw/zinc/17/22/20/591172220.db2.gz DTBOQEXZGOEGAU-DJIMGWMZSA-N 2 1 330.476 1.871 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[N@H+]1C1CC1 ZINC000891661535 591173494 /nfs/dbraw/zinc/17/34/94/591173494.db2.gz RSLLQBJSFPHFBB-IIAWOOMASA-N 2 1 336.480 1.070 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892781683 591173933 /nfs/dbraw/zinc/17/39/33/591173933.db2.gz ZSQNXXVVOKNEDU-CVEARBPZSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC[N@H+](C2CC2)C1 ZINC000892794755 591182558 /nfs/dbraw/zinc/18/25/58/591182558.db2.gz RFXYUEMBTDPFAY-MAUKXSAKSA-N 2 1 342.487 1.827 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892804875 591186771 /nfs/dbraw/zinc/18/67/71/591186771.db2.gz KXGPLOVQWNPEPE-ZWKOTPCHSA-N 2 1 330.476 1.683 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000894077995 591188287 /nfs/dbraw/zinc/18/82/87/591188287.db2.gz YKXCMLOIBIRURW-KDOFPFPSSA-N 2 1 343.475 1.726 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000894077995 591188289 /nfs/dbraw/zinc/18/82/89/591188289.db2.gz YKXCMLOIBIRURW-KDOFPFPSSA-N 2 1 343.475 1.726 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000891728150 591201144 /nfs/dbraw/zinc/20/11/44/591201144.db2.gz LCFFSKVIMWCLKW-BZUAXINKSA-N 2 1 326.485 1.269 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000891749170 591209528 /nfs/dbraw/zinc/20/95/28/591209528.db2.gz VILXUVWBUIJVMN-UHFFFAOYSA-N 2 1 341.544 1.242 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cc(N)cc[nH+]1 ZINC000891751051 591210340 /nfs/dbraw/zinc/21/03/40/591210340.db2.gz UNGMEOSEXPFPTN-CQSZACIVSA-N 2 1 327.432 1.984 20 0 EDADMP C[C@@H]1[C@H](Nc2nc3ccccc3nc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000895737429 591265296 /nfs/dbraw/zinc/26/52/96/591265296.db2.gz UPPYKZZWMMUNAL-HUUCEWRRSA-N 2 1 340.475 1.886 20 0 EDADMP C[C@@H]1[C@H](Nc2nc3ccccc3nc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000895737429 591265298 /nfs/dbraw/zinc/26/52/98/591265298.db2.gz UPPYKZZWMMUNAL-HUUCEWRRSA-N 2 1 340.475 1.886 20 0 EDADMP C[NH+](C)CC[C@@H](Nc1nc(N2CCOCC2)cc[nH+]1)c1cccnc1 ZINC000895893227 591298521 /nfs/dbraw/zinc/29/85/21/591298521.db2.gz URLKLNHPLUJRDA-MRXNPFEDSA-N 2 1 342.447 1.813 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2[nH]cnc2c1F ZINC000898585343 591423611 /nfs/dbraw/zinc/42/36/11/591423611.db2.gz TZPVXDXXHQZGHI-LBPRGKRZSA-N 2 1 335.427 1.704 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2[nH]cnc2c1F ZINC000898585343 591423614 /nfs/dbraw/zinc/42/36/14/591423614.db2.gz TZPVXDXXHQZGHI-LBPRGKRZSA-N 2 1 335.427 1.704 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896375388 591442499 /nfs/dbraw/zinc/44/24/99/591442499.db2.gz IJCRIGFGTLZWFU-MOPGFXCFSA-N 2 1 343.471 1.488 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000897488275 591492846 /nfs/dbraw/zinc/49/28/46/591492846.db2.gz ZIURPQJBHQJYIG-OAHLLOKOSA-N 2 1 326.485 1.005 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2cc([C@H]3CCCN3C)n[nH]2)CC1 ZINC000897492553 591497319 /nfs/dbraw/zinc/49/73/19/591497319.db2.gz ALTQVHLKNCNPLJ-SUMWQHHRSA-N 2 1 349.479 1.094 20 0 EDADMP C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000897492553 591497320 /nfs/dbraw/zinc/49/73/20/591497320.db2.gz ALTQVHLKNCNPLJ-SUMWQHHRSA-N 2 1 349.479 1.094 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000897492553 591497321 /nfs/dbraw/zinc/49/73/21/591497321.db2.gz ALTQVHLKNCNPLJ-SUMWQHHRSA-N 2 1 349.479 1.094 20 0 EDADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000897492553 591497322 /nfs/dbraw/zinc/49/73/22/591497322.db2.gz ALTQVHLKNCNPLJ-SUMWQHHRSA-N 2 1 349.479 1.094 20 0 EDADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000897492553 591497323 /nfs/dbraw/zinc/49/73/23/591497323.db2.gz ALTQVHLKNCNPLJ-SUMWQHHRSA-N 2 1 349.479 1.094 20 0 EDADMP CCO[C@H](C[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C[NH+](C)C ZINC000896879661 591645126 /nfs/dbraw/zinc/64/51/26/591645126.db2.gz DLBRHJVAFCLTHZ-DAYGRLMNSA-N 2 1 341.496 1.800 20 0 EDADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000897825194 591684023 /nfs/dbraw/zinc/68/40/23/591684023.db2.gz FWQLFYKDYRSOBP-JQHSSLGASA-N 2 1 331.460 1.897 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000900019330 591870567 /nfs/dbraw/zinc/87/05/67/591870567.db2.gz ZLNZIQOMKZIETL-QUCCMNQESA-N 2 1 345.487 1.744 20 0 EDADMP C[C@@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000900140976 591915552 /nfs/dbraw/zinc/91/55/52/591915552.db2.gz LXHXPMHKGCUYPO-JXFKEZNVSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](CNC(=O)C[C@@]1(O)CCC[NH+](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000900140976 591915555 /nfs/dbraw/zinc/91/55/55/591915555.db2.gz LXHXPMHKGCUYPO-JXFKEZNVSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](CNC(=O)C[C@@]1(O)CCC[NH+](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000900140976 591915558 /nfs/dbraw/zinc/91/55/58/591915558.db2.gz LXHXPMHKGCUYPO-JXFKEZNVSA-N 2 1 345.487 1.396 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)c1ccsc1 ZINC000900192583 591936089 /nfs/dbraw/zinc/93/60/89/591936089.db2.gz PDDGVIBXEFYISW-BFYDXBDKSA-N 2 1 339.505 1.702 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000900240004 591952315 /nfs/dbraw/zinc/95/23/15/591952315.db2.gz IDRWYDJZRWTKST-QZTJIDSGSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000900240004 591952317 /nfs/dbraw/zinc/95/23/17/591952317.db2.gz IDRWYDJZRWTKST-QZTJIDSGSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000900240004 591952319 /nfs/dbraw/zinc/95/23/19/591952319.db2.gz IDRWYDJZRWTKST-QZTJIDSGSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1([NH3+])CC1 ZINC000902345188 591977421 /nfs/dbraw/zinc/97/74/21/591977421.db2.gz BOGNGEXCHXMYPW-HNNXBMFYSA-N 3 1 330.476 1.482 20 0 EDADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000902462692 592000347 /nfs/dbraw/zinc/00/03/47/592000347.db2.gz XVRFQQDXBFRYSW-SNRMKQJTSA-N 2 1 328.460 1.974 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000900406556 592010015 /nfs/dbraw/zinc/01/00/15/592010015.db2.gz IYBHDQVVEDFYGR-NLWGTHIKSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000900406556 592010016 /nfs/dbraw/zinc/01/00/16/592010016.db2.gz IYBHDQVVEDFYGR-NLWGTHIKSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000900406556 592010018 /nfs/dbraw/zinc/01/00/18/592010018.db2.gz IYBHDQVVEDFYGR-NLWGTHIKSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@]12CSC[C@H]1C[N@H+](CN1C[C@]3(C[NH+]4CCC3CC4)OC1=O)C2 ZINC000902675377 592041009 /nfs/dbraw/zinc/04/10/09/592041009.db2.gz TZEGAPQIAIHBSZ-PVAVHDDUSA-N 2 1 337.489 1.545 20 0 EDADMP C[C@]12CSC[C@H]1C[N@@H+](CN1C[C@]3(C[NH+]4CCC3CC4)OC1=O)C2 ZINC000902675377 592041012 /nfs/dbraw/zinc/04/10/12/592041012.db2.gz TZEGAPQIAIHBSZ-PVAVHDDUSA-N 2 1 337.489 1.545 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000902903938 592082404 /nfs/dbraw/zinc/08/24/04/592082404.db2.gz HIHNSUISCAUMIK-BZUAXINKSA-N 2 1 340.537 1.740 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000902903938 592082406 /nfs/dbraw/zinc/08/24/06/592082406.db2.gz HIHNSUISCAUMIK-BZUAXINKSA-N 2 1 340.537 1.740 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000902903938 592082409 /nfs/dbraw/zinc/08/24/09/592082409.db2.gz HIHNSUISCAUMIK-BZUAXINKSA-N 2 1 340.537 1.740 20 0 EDADMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903136642 592125846 /nfs/dbraw/zinc/12/58/46/592125846.db2.gz FIYGFNLMVVQMLN-CYBMUJFWSA-N 2 1 327.469 1.479 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000903277506 592150233 /nfs/dbraw/zinc/15/02/33/592150233.db2.gz ATVZXHOJSJNXDB-DFQSSKMNSA-N 2 1 347.503 1.180 20 0 EDADMP C[C@H](CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)[NH+](C)Cc1ccccc1 ZINC000900922987 592163965 /nfs/dbraw/zinc/16/39/65/592163965.db2.gz RBZQAAFFNMPOPI-HHXXYDBFSA-N 2 1 333.476 1.468 20 0 EDADMP C[C@H](CCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C)[N@H+](C)Cc1ccccc1 ZINC000900922987 592163966 /nfs/dbraw/zinc/16/39/66/592163966.db2.gz RBZQAAFFNMPOPI-HHXXYDBFSA-N 2 1 333.476 1.468 20 0 EDADMP C[C@H](CCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C)[N@@H+](C)Cc1ccccc1 ZINC000900922987 592163967 /nfs/dbraw/zinc/16/39/67/592163967.db2.gz RBZQAAFFNMPOPI-HHXXYDBFSA-N 2 1 333.476 1.468 20 0 EDADMP COC(=O)c1sccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499673 592179673 /nfs/dbraw/zinc/17/96/73/592179673.db2.gz LNISNLQLRFNSGD-GHMZBOCLSA-N 2 1 325.434 1.390 20 0 EDADMP COC(=O)c1sccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499673 592179674 /nfs/dbraw/zinc/17/96/74/592179674.db2.gz LNISNLQLRFNSGD-GHMZBOCLSA-N 2 1 325.434 1.390 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cccc3ncccc13)C2 ZINC000903494931 592186801 /nfs/dbraw/zinc/18/68/01/592186801.db2.gz RFTQWRDLQOWUNN-KHYOSLBOSA-N 2 1 325.412 1.947 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1CC[NH3+] ZINC000903494896 592186886 /nfs/dbraw/zinc/18/68/86/592186886.db2.gz PQHXBLWXSSPQNH-UKRRQHHQSA-N 2 1 325.478 1.354 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903495938 592187863 /nfs/dbraw/zinc/18/78/63/592187863.db2.gz CMMOTMPRYORWHK-BRWVUGGUSA-N 2 1 333.476 1.795 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496096 592187866 /nfs/dbraw/zinc/18/78/66/592187866.db2.gz FGODCPMOOQNCDZ-JYYAWHABSA-N 2 1 331.460 1.932 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCCCOC2CCCCC2)C[C@H]1CC[NH3+] ZINC000903497315 592188321 /nfs/dbraw/zinc/18/83/21/592188321.db2.gz VLPJHQZYUMHUIL-HZPDHXFCSA-N 2 1 325.497 1.759 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906647207 592231569 /nfs/dbraw/zinc/23/15/69/592231569.db2.gz POHXCCLFHHFNMZ-INIZCTEOSA-N 2 1 338.540 1.497 20 0 EDADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906647207 592231573 /nfs/dbraw/zinc/23/15/73/592231573.db2.gz POHXCCLFHHFNMZ-INIZCTEOSA-N 2 1 338.540 1.497 20 0 EDADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906647207 592231576 /nfs/dbraw/zinc/23/15/76/592231576.db2.gz POHXCCLFHHFNMZ-INIZCTEOSA-N 2 1 338.540 1.497 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@H+]1C ZINC000906650697 592234788 /nfs/dbraw/zinc/23/47/88/592234788.db2.gz MBRLMXVYFFTOHP-DOMZBBRYSA-N 2 1 332.448 1.418 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCCO2 ZINC000904350368 592236981 /nfs/dbraw/zinc/23/69/81/592236981.db2.gz JSGWTQSOINGMHD-QGZVFWFLSA-N 2 1 331.460 1.831 20 0 EDADMP c1cc(N2CC[NH2+]CC2)oc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000904351488 592237126 /nfs/dbraw/zinc/23/71/26/592237126.db2.gz ZUZMLPKLKFIAJG-IAGOWNOFSA-N 3 1 332.492 1.901 20 0 EDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000904404999 592250184 /nfs/dbraw/zinc/25/01/84/592250184.db2.gz GLQBKKUGQKZRPR-INIZCTEOSA-N 2 1 331.460 1.859 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000906675415 592256513 /nfs/dbraw/zinc/25/65/13/592256513.db2.gz WYBPZWNTXVQPSZ-GOSISDBHSA-N 2 1 338.540 1.642 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000906675415 592256515 /nfs/dbraw/zinc/25/65/15/592256515.db2.gz WYBPZWNTXVQPSZ-GOSISDBHSA-N 2 1 338.540 1.642 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000906675415 592256518 /nfs/dbraw/zinc/25/65/18/592256518.db2.gz WYBPZWNTXVQPSZ-GOSISDBHSA-N 2 1 338.540 1.642 20 0 EDADMP O=C(NCc1nc(CN2CCCCC2)no1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000908009082 592260486 /nfs/dbraw/zinc/26/04/86/592260486.db2.gz CZWCZNPTTRTNEX-LSDHHAIUSA-N 2 1 347.463 1.689 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000908020088 592268193 /nfs/dbraw/zinc/26/81/93/592268193.db2.gz GRRMZVKLJHJVNI-RCCFBDPRSA-N 2 1 335.492 1.574 20 0 EDADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC000906661231 592269716 /nfs/dbraw/zinc/26/97/16/592269716.db2.gz QFIYTYNYDRJWJP-INIZCTEOSA-N 2 1 336.524 1.536 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC000906661231 592269717 /nfs/dbraw/zinc/26/97/17/592269717.db2.gz QFIYTYNYDRJWJP-INIZCTEOSA-N 2 1 336.524 1.536 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904509387 592273565 /nfs/dbraw/zinc/27/35/65/592273565.db2.gz JEDAEKFYTXGUPP-ROUUACIJSA-N 2 1 346.475 1.859 20 0 EDADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000901170326 592275125 /nfs/dbraw/zinc/27/51/25/592275125.db2.gz AFKQLAIFHFBUTR-LSBZLQRGSA-N 2 1 346.475 1.178 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1 ZINC000906705637 592277439 /nfs/dbraw/zinc/27/74/39/592277439.db2.gz IBXGMUYSMWXVIO-UVBSCNOISA-N 2 1 330.432 1.055 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1 ZINC000906705639 592277847 /nfs/dbraw/zinc/27/78/47/592277847.db2.gz IBXGMUYSMWXVIO-XAYKYTGQSA-N 2 1 330.432 1.055 20 0 EDADMP O=C(CCC1CCCC1)N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903722641 592283546 /nfs/dbraw/zinc/28/35/46/592283546.db2.gz CGBLSZFMAYRTBD-AZUAARDMSA-N 2 1 349.519 1.870 20 0 EDADMP O=C(c1ccc(F)cc1)N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903725266 592285292 /nfs/dbraw/zinc/28/52/92/592285292.db2.gz YMYRUIYVGKIBKI-HKUYNNGSSA-N 2 1 347.434 1.352 20 0 EDADMP C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728558 592286319 /nfs/dbraw/zinc/28/63/19/592286319.db2.gz CCDZOOWXAZLPAL-DOTOQJQBSA-N 2 1 339.386 1.604 20 0 EDADMP C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728558 592286322 /nfs/dbraw/zinc/28/63/22/592286322.db2.gz CCDZOOWXAZLPAL-DOTOQJQBSA-N 2 1 339.386 1.604 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000904599430 592292685 /nfs/dbraw/zinc/29/26/85/592292685.db2.gz ZFMDJDYQBVOSFH-INIZCTEOSA-N 2 1 334.464 1.849 20 0 EDADMP O=S(=O)(CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1 ZINC000903749669 592294174 /nfs/dbraw/zinc/29/41/74/592294174.db2.gz ODWGCAGZKFUOOX-HZPDHXFCSA-N 2 1 337.489 1.750 20 0 EDADMP c1cc2c(cc1-c1nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no1)OCC[NH2+]C2 ZINC000904638658 592300349 /nfs/dbraw/zinc/30/03/49/592300349.db2.gz QOAZWQAVZNBVKW-GOEBONIOSA-N 2 1 342.399 1.754 20 0 EDADMP c1csc(N2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903738118 592300632 /nfs/dbraw/zinc/30/06/32/592300632.db2.gz XXQUAICTFDQLNZ-HNNXBMFYSA-N 2 1 336.505 1.814 20 0 EDADMP O=C1NCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1CC1CCCCC1 ZINC000903759620 592306286 /nfs/dbraw/zinc/30/62/86/592306286.db2.gz BMJOISRSAKXFTO-ZWKOTPCHSA-N 2 1 349.519 1.916 20 0 EDADMP O=C1NCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1CC1CCCCC1 ZINC000903759620 592306289 /nfs/dbraw/zinc/30/62/89/592306289.db2.gz BMJOISRSAKXFTO-ZWKOTPCHSA-N 2 1 349.519 1.916 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)C1 ZINC000903763232 592307904 /nfs/dbraw/zinc/30/79/04/592307904.db2.gz IXAUQAGYAHOXSV-MLHJIOFPSA-N 3 1 337.508 1.363 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc(CC(C)(C)C[NH3+])n3)cn2)CC1 ZINC000904672007 592309140 /nfs/dbraw/zinc/30/91/40/592309140.db2.gz JNZLAXLWPNVSSR-UHFFFAOYSA-N 2 1 344.463 1.801 20 0 EDADMP CC[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1CC(F)F ZINC000903756841 592314088 /nfs/dbraw/zinc/31/40/88/592314088.db2.gz WMPQMTMEBAHYGA-HUUCEWRRSA-N 2 1 331.451 1.806 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000908115133 592328072 /nfs/dbraw/zinc/32/80/72/592328072.db2.gz MMPGPKMQOONUTD-VSZNYVQBSA-N 2 1 335.492 1.715 20 0 EDADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H](O)COC2CCOCC2)CCC1 ZINC000903812616 592330920 /nfs/dbraw/zinc/33/09/20/592330920.db2.gz UTTFOMWGXBHPMJ-RDJZCZTQSA-N 2 1 326.481 1.526 20 0 EDADMP C[N@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C1(C[NH3+])CCOCC1 ZINC000903810001 592331357 /nfs/dbraw/zinc/33/13/57/592331357.db2.gz PSSDPUPQGIFYIU-PKOBYXMFSA-N 2 1 348.487 1.881 20 0 EDADMP C[N@@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C1(C[NH3+])CCOCC1 ZINC000903810001 592331360 /nfs/dbraw/zinc/33/13/60/592331360.db2.gz PSSDPUPQGIFYIU-PKOBYXMFSA-N 2 1 348.487 1.881 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000908146444 592335554 /nfs/dbraw/zinc/33/55/54/592335554.db2.gz MAIOFAMFRVWNOG-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP COc1ccc(C[N@@H+](CCCO)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903831353 592336942 /nfs/dbraw/zinc/33/69/42/592336942.db2.gz IRTAQTCNWYXJCC-MOPGFXCFSA-N 2 1 334.460 1.648 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCC[C@@H]2CN2CCOCC2)cnn1C ZINC000903891094 592352283 /nfs/dbraw/zinc/35/22/83/592352283.db2.gz JNZIGQRIRQPLAJ-PKOBYXMFSA-N 2 1 349.523 1.033 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)Cc2ccc3c(c2)OCCO3)cnn1C ZINC000903877650 592358235 /nfs/dbraw/zinc/35/82/35/592358235.db2.gz ONWCVMFGZQEORX-INIZCTEOSA-N 2 1 344.459 1.749 20 0 EDADMP NC(=O)CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903877498 592358303 /nfs/dbraw/zinc/35/83/03/592358303.db2.gz AZHOFSSUGODXKI-INIZCTEOSA-N 2 1 342.447 1.080 20 0 EDADMP NC(=O)CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903877498 592358312 /nfs/dbraw/zinc/35/83/12/592358312.db2.gz AZHOFSSUGODXKI-INIZCTEOSA-N 2 1 342.447 1.080 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)Cc2cccc(C(N)=O)c2)cnn1C ZINC000903886517 592363760 /nfs/dbraw/zinc/36/37/60/592363760.db2.gz QAQXIICTHYJFPK-HNNXBMFYSA-N 2 1 329.448 1.077 20 0 EDADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908182453 592364379 /nfs/dbraw/zinc/36/43/79/592364379.db2.gz JKPSGQIBMOYDKA-GOSISDBHSA-N 2 1 337.464 1.407 20 0 EDADMP COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903914760 592364682 /nfs/dbraw/zinc/36/46/82/592364682.db2.gz VVUSGUKPTCLCIY-ZWKOTPCHSA-N 2 1 343.475 1.892 20 0 EDADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903914760 592364685 /nfs/dbraw/zinc/36/46/85/592364685.db2.gz VVUSGUKPTCLCIY-ZWKOTPCHSA-N 2 1 343.475 1.892 20 0 EDADMP COC(=O)c1ccc(C[N@@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903887062 592365082 /nfs/dbraw/zinc/36/50/82/592365082.db2.gz YILNZZDVYFHVRA-INIZCTEOSA-N 2 1 344.459 1.765 20 0 EDADMP CC[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H]1N1CCOCC1 ZINC000903915082 592365565 /nfs/dbraw/zinc/36/55/65/592365565.db2.gz XYZFDGWNXSMXLF-UZLBHIALSA-N 2 1 329.488 1.875 20 0 EDADMP O=C(c1ccc(NC2=[NH+]CCC2)cc1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000908199542 592377303 /nfs/dbraw/zinc/37/73/03/592377303.db2.gz GIIFNJYKGSPXSC-SJORKVTESA-N 2 1 342.443 1.572 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000903934068 592385859 /nfs/dbraw/zinc/38/58/59/592385859.db2.gz ZOBCWAUHYSTBEA-SJLPKXTDSA-N 2 1 333.480 1.984 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCS[C@@H](C(F)(F)F)C2)C1 ZINC000903986175 592404896 /nfs/dbraw/zinc/40/48/96/592404896.db2.gz HHESIJOHLDYHOF-GHMZBOCLSA-N 2 1 325.400 1.163 20 0 EDADMP C[NH+]1CCN(c2ccnc(-c3noc([C@H]([NH3+])CC4CC4)n3)c2)CC1 ZINC000904104522 592426689 /nfs/dbraw/zinc/42/66/89/592426689.db2.gz SVPPCFJZVOKRCT-CQSZACIVSA-N 2 1 328.420 1.683 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905347671 592501963 /nfs/dbraw/zinc/50/19/63/592501963.db2.gz BHYHINNHTXYXSK-DLBZAZTESA-N 2 1 328.497 1.259 20 0 EDADMP CCOCC[C@H](O)C[NH2+][C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000905504485 592546791 /nfs/dbraw/zinc/54/67/91/592546791.db2.gz XMVKPGMUGRDABK-OBVSXPTNSA-N 2 1 328.497 1.233 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)N2CCC(CCCn3ccnc3)CC2)C1 ZINC000907312615 592581118 /nfs/dbraw/zinc/58/11/18/592581118.db2.gz BBFJZEKXAURPCC-UHFFFAOYSA-N 2 1 347.507 1.395 20 0 EDADMP O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)C12CC[NH+](CC1)C2 ZINC000907287974 592585125 /nfs/dbraw/zinc/58/51/25/592585125.db2.gz KUGLNFGFLOTPSV-SFHVURJKSA-N 2 1 343.471 1.355 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000907345596 592597994 /nfs/dbraw/zinc/59/79/94/592597994.db2.gz SNPUSKUNLBRAGM-SFHVURJKSA-N 2 1 338.540 1.783 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc2)CC1 ZINC000905910815 592691316 /nfs/dbraw/zinc/69/13/16/592691316.db2.gz CGNSDMMKCSLEFH-QGZVFWFLSA-N 2 1 341.402 1.180 20 0 EDADMP CCOC(=O)[C@H]1CCCN(CC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000909915002 592711648 /nfs/dbraw/zinc/71/16/48/592711648.db2.gz RETJDXBFJDYWEN-HOTGVXAUSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000909915002 592711650 /nfs/dbraw/zinc/71/16/50/592711650.db2.gz RETJDXBFJDYWEN-HOTGVXAUSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000909915002 592711653 /nfs/dbraw/zinc/71/16/53/592711653.db2.gz RETJDXBFJDYWEN-HOTGVXAUSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000909915002 592711656 /nfs/dbraw/zinc/71/16/56/592711656.db2.gz RETJDXBFJDYWEN-HOTGVXAUSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000909915002 592711658 /nfs/dbraw/zinc/71/16/58/592711658.db2.gz RETJDXBFJDYWEN-HOTGVXAUSA-N 2 1 339.480 1.110 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000910268875 592815189 /nfs/dbraw/zinc/81/51/89/592815189.db2.gz YXJQVVJBQVBJAG-CGTJXYLNSA-N 2 1 347.507 1.398 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000910268875 592815191 /nfs/dbraw/zinc/81/51/91/592815191.db2.gz YXJQVVJBQVBJAG-CGTJXYLNSA-N 2 1 347.507 1.398 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000910268875 592815195 /nfs/dbraw/zinc/81/51/95/592815195.db2.gz YXJQVVJBQVBJAG-CGTJXYLNSA-N 2 1 347.507 1.398 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000906644827 592865815 /nfs/dbraw/zinc/86/58/15/592865815.db2.gz DTUUDBJGHOQYSZ-UHFFFAOYSA-N 2 1 344.459 1.373 20 0 EDADMP C[C@@H]1CN(C(=S)NCC(C)(C)C[NH+](C)C)CC[N@H+](C2CC2)C1 ZINC000840762878 592951722 /nfs/dbraw/zinc/95/17/22/592951722.db2.gz FMVLBBZVQXDIGA-AWEZNQCLSA-N 2 1 326.554 1.865 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC000911735032 592992791 /nfs/dbraw/zinc/99/27/91/592992791.db2.gz GYXUPAYPJQKEEK-CQSZACIVSA-N 2 1 340.431 1.197 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000912297320 593083915 /nfs/dbraw/zinc/08/39/15/593083915.db2.gz OKTBCDRFCWFIKC-KRWDZBQOSA-N 2 1 338.540 1.782 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000912297320 593083916 /nfs/dbraw/zinc/08/39/16/593083916.db2.gz OKTBCDRFCWFIKC-KRWDZBQOSA-N 2 1 338.540 1.782 20 0 EDADMP CCC[C@]1(C2CC2)NC(=O)N(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1=O ZINC000802734010 593274195 /nfs/dbraw/zinc/27/41/95/593274195.db2.gz OAYYZGSUHJHBKC-SIXWZSSISA-N 2 1 348.491 1.861 20 0 EDADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)CC[NH+]2CCOCC2)cc1 ZINC000803808214 593365393 /nfs/dbraw/zinc/36/53/93/593365393.db2.gz XKSGCTSCSIBDRX-QGZVFWFLSA-N 2 1 335.448 1.136 20 0 EDADMP Cn1cc[nH+]c1N1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810423448 593400654 /nfs/dbraw/zinc/40/06/54/593400654.db2.gz WKDQORGKIAGIGP-QGZVFWFLSA-N 2 1 337.443 1.281 20 0 EDADMP Cn1cc[nH+]c1N1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810423448 593400656 /nfs/dbraw/zinc/40/06/56/593400656.db2.gz WKDQORGKIAGIGP-QGZVFWFLSA-N 2 1 337.443 1.281 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000810441469 593402217 /nfs/dbraw/zinc/40/22/17/593402217.db2.gz MWYJURVKEYLSGZ-CRAIPNDOSA-N 2 1 341.471 1.380 20 0 EDADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000817941708 593650789 /nfs/dbraw/zinc/65/07/89/593650789.db2.gz VNYKGTSTQDIKTI-SNVBAGLBSA-N 2 1 336.404 1.952 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000818973357 593731323 /nfs/dbraw/zinc/73/13/23/593731323.db2.gz WDUPZJLIQNPEFO-ZFWWWQNUSA-N 2 1 327.469 1.336 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1c(F)cccc1F ZINC000819174490 593742724 /nfs/dbraw/zinc/74/27/24/593742724.db2.gz QQDXZYZTDSPDFG-BRWVUGGUSA-N 2 1 340.414 1.966 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000824825536 594080570 /nfs/dbraw/zinc/08/05/70/594080570.db2.gz BFOXUUHGBYFQHH-UAGQMJEPSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000824825536 594080572 /nfs/dbraw/zinc/08/05/72/594080572.db2.gz BFOXUUHGBYFQHH-UAGQMJEPSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1ccccc1CN1CCO[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000825369561 594174364 /nfs/dbraw/zinc/17/43/64/594174364.db2.gz XLLIFLXLIFABMD-IEBWSBKVSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000825369561 594174366 /nfs/dbraw/zinc/17/43/66/594174366.db2.gz XLLIFLXLIFABMD-IEBWSBKVSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000825369561 594174368 /nfs/dbraw/zinc/17/43/68/594174368.db2.gz XLLIFLXLIFABMD-IEBWSBKVSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000825369561 594174370 /nfs/dbraw/zinc/17/43/70/594174370.db2.gz XLLIFLXLIFABMD-IEBWSBKVSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000825369561 594174373 /nfs/dbraw/zinc/17/43/73/594174373.db2.gz XLLIFLXLIFABMD-IEBWSBKVSA-N 2 1 345.487 1.654 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CCC[NH+]2C)CCOCC1 ZINC000831584694 594685542 /nfs/dbraw/zinc/68/55/42/594685542.db2.gz DBELKHAIFWEBEI-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC000831584694 594685543 /nfs/dbraw/zinc/68/55/43/594685543.db2.gz DBELKHAIFWEBEI-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC000831584694 594685544 /nfs/dbraw/zinc/68/55/44/594685544.db2.gz DBELKHAIFWEBEI-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP CCO[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C[NH+](C)C ZINC000831724551 594696490 /nfs/dbraw/zinc/69/64/90/594696490.db2.gz OYIAETNWPOOXKS-SJORKVTESA-N 2 1 325.497 1.866 20 0 EDADMP Cc1nn(C)c(Cl)c1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841069820 594847043 /nfs/dbraw/zinc/84/70/43/594847043.db2.gz DQWHFOXRYRORLJ-NSHDSACASA-N 2 1 339.793 1.308 20 0 EDADMP COC(=O)COc1c(C)cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1C ZINC000841085414 594849236 /nfs/dbraw/zinc/84/92/36/594849236.db2.gz BOWDUMQORXUVNR-MRXNPFEDSA-N 2 1 336.432 1.323 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000841648379 594931041 /nfs/dbraw/zinc/93/10/41/594931041.db2.gz GKXHVCNHKZKXRH-INIZCTEOSA-N 2 1 338.496 1.128 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC2CCCCCCC2)CC12CCOCC2 ZINC000843388727 595097288 /nfs/dbraw/zinc/09/72/88/595097288.db2.gz WVJZBTWIOQLECM-MRXNPFEDSA-N 2 1 337.508 1.903 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC2CCCCCCC2)CC12CCOCC2 ZINC000843388727 595097291 /nfs/dbraw/zinc/09/72/91/595097291.db2.gz WVJZBTWIOQLECM-MRXNPFEDSA-N 2 1 337.508 1.903 20 0 EDADMP CC(C)[NH+]1CC(NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000845962413 595106876 /nfs/dbraw/zinc/10/68/76/595106876.db2.gz XFVXDMWHXGJRQJ-AWEZNQCLSA-N 2 1 342.484 1.040 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843054786 595275971 /nfs/dbraw/zinc/27/59/71/595275971.db2.gz HSWHLQPPWSVWDQ-UHFFFAOYSA-N 2 1 349.475 1.912 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000843073984 595281022 /nfs/dbraw/zinc/28/10/22/595281022.db2.gz WKWAXTPVDCCHGB-WMLDXEAASA-N 2 1 328.403 1.825 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000844171963 595290911 /nfs/dbraw/zinc/29/09/11/595290911.db2.gz VTXHEWIITKLKGJ-UHFFFAOYSA-N 2 1 340.391 1.158 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000844182337 595294528 /nfs/dbraw/zinc/29/45/28/595294528.db2.gz JHZUFXOYAPLXCU-QRQLOZEOSA-N 2 1 345.487 1.924 20 0 EDADMP C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000844411762 595339630 /nfs/dbraw/zinc/33/96/30/595339630.db2.gz WQNGTGLQQZDJEF-OIISXLGYSA-N 2 1 348.491 1.904 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOC[C@@H](C)C3)CC2)CC1 ZINC000847608559 595456470 /nfs/dbraw/zinc/45/64/70/595456470.db2.gz CIJYEIOUPCQLAK-INIZCTEOSA-N 2 1 337.508 1.678 20 0 EDADMP COC(=O)/C=C\c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)o1 ZINC000848910225 595466241 /nfs/dbraw/zinc/46/62/41/595466241.db2.gz GDVYKRDSRMHAQK-FPLPWBNLSA-N 2 1 335.448 1.535 20 0 EDADMP C[C@H]1CN(C(=[NH2+])NCc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000849094925 595480999 /nfs/dbraw/zinc/48/09/99/595480999.db2.gz HNJLSCWKZSUSMR-HNNXBMFYSA-N 2 1 332.448 1.264 20 0 EDADMP O=C1[C@H]([N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1C1CCOCC1 ZINC000852753447 595526707 /nfs/dbraw/zinc/52/67/07/595526707.db2.gz BEDGVIPMLKRUIC-SJLPKXTDSA-N 2 1 335.492 1.478 20 0 EDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852765756 595533652 /nfs/dbraw/zinc/53/36/52/595533652.db2.gz RXAKYAMDFPCGKC-KRWDZBQOSA-N 3 1 348.539 1.908 20 0 EDADMP CC(C)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849495117 595550390 /nfs/dbraw/zinc/55/03/90/595550390.db2.gz BJCCALLIKFDJEL-SJORKVTESA-N 2 1 333.480 1.008 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[NH+]1CCCCC1 ZINC000849504913 595552954 /nfs/dbraw/zinc/55/29/54/595552954.db2.gz GNNHANIEWKXOAT-NXHRZFHOSA-N 2 1 347.507 1.446 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](C)[C@H](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849555275 595564403 /nfs/dbraw/zinc/56/44/03/595564403.db2.gz QXGUIQBMOCDPBE-KBAYOESNSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[NH+](C)[C@H](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849555275 595564405 /nfs/dbraw/zinc/56/44/05/595564405.db2.gz QXGUIQBMOCDPBE-KBAYOESNSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[NH+]1CC[C@@H](C(=O)N2CC[N@H+](C)[C@H](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849555275 595564406 /nfs/dbraw/zinc/56/44/06/595564406.db2.gz QXGUIQBMOCDPBE-KBAYOESNSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[NH+]1CC[C@@H](C(=O)N2CC[N@@H+](C)[C@H](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849555275 595564408 /nfs/dbraw/zinc/56/44/08/595564408.db2.gz QXGUIQBMOCDPBE-KBAYOESNSA-N 2 1 347.507 1.397 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849567936 595572246 /nfs/dbraw/zinc/57/22/46/595572246.db2.gz KVEMXNDHPPPFCJ-WTTBNOFXSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849567936 595572248 /nfs/dbraw/zinc/57/22/48/595572248.db2.gz KVEMXNDHPPPFCJ-WTTBNOFXSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849567936 595572249 /nfs/dbraw/zinc/57/22/49/595572249.db2.gz KVEMXNDHPPPFCJ-WTTBNOFXSA-N 2 1 333.480 1.006 20 0 EDADMP Cc1cc(N2CCC(NC(=O)C=C3CC[NH2+]CC3)CC2)nc(C)[nH+]1 ZINC000852872489 595591449 /nfs/dbraw/zinc/59/14/49/595591449.db2.gz OODRINNIMSTUCP-UHFFFAOYSA-N 2 1 329.448 1.488 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852871952 595591492 /nfs/dbraw/zinc/59/14/92/595591492.db2.gz FZAFAXQOMWJTCN-DLBZAZTESA-N 2 1 344.459 1.461 20 0 EDADMP COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc1Cl ZINC000855347163 595681792 /nfs/dbraw/zinc/68/17/92/595681792.db2.gz WMUOVZUEIMEXDG-LBPRGKRZSA-N 2 1 342.871 1.745 20 0 EDADMP COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc1Cl ZINC000855347163 595681794 /nfs/dbraw/zinc/68/17/94/595681794.db2.gz WMUOVZUEIMEXDG-LBPRGKRZSA-N 2 1 342.871 1.745 20 0 EDADMP COC(=O)N1CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000850357892 595817318 /nfs/dbraw/zinc/81/73/18/595817318.db2.gz XMBJXQPKTIHTIV-SFHVURJKSA-N 2 1 347.459 1.574 20 0 EDADMP CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000861351861 595957925 /nfs/dbraw/zinc/95/79/25/595957925.db2.gz FUOUHPCHUKOJFN-RDJZCZTQSA-N 2 1 330.388 1.533 20 0 EDADMP CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000861351861 595957926 /nfs/dbraw/zinc/95/79/26/595957926.db2.gz FUOUHPCHUKOJFN-RDJZCZTQSA-N 2 1 330.388 1.533 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc(CC4([NH3+])CC4)n3)cn2)CC1 ZINC000854146165 595989424 /nfs/dbraw/zinc/98/94/24/595989424.db2.gz FAOYJXLFTBSOPE-UHFFFAOYSA-N 2 1 328.420 1.307 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)COC[C@@H]2CCCO2)cc1 ZINC000859215072 596006176 /nfs/dbraw/zinc/00/61/76/596006176.db2.gz YAIMVSYAPAWCHV-MOPGFXCFSA-N 2 1 336.476 1.737 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859214227 596007059 /nfs/dbraw/zinc/00/70/59/596007059.db2.gz ODSCNVSOZNMZJZ-QGZVFWFLSA-N 2 1 346.519 1.733 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000852035289 596016580 /nfs/dbraw/zinc/01/65/80/596016580.db2.gz LOCOVONVHROSEC-OWCLPIDISA-N 2 1 343.512 1.923 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC(=O)N(C)C)C2)ccn1 ZINC000856584481 596021463 /nfs/dbraw/zinc/02/14/63/596021463.db2.gz KVHRTURUYKPGOD-SFHVURJKSA-N 2 1 348.491 1.855 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCC(=O)N(C)C)C2)ccn1 ZINC000856584481 596021468 /nfs/dbraw/zinc/02/14/68/596021468.db2.gz KVHRTURUYKPGOD-SFHVURJKSA-N 2 1 348.491 1.855 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCC(=O)N(C)C)C2)ccn1 ZINC000856584481 596021473 /nfs/dbraw/zinc/02/14/73/596021473.db2.gz KVHRTURUYKPGOD-SFHVURJKSA-N 2 1 348.491 1.855 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3cn[nH]n3)C2)ccn1 ZINC000856585029 596024136 /nfs/dbraw/zinc/02/41/36/596024136.db2.gz XLQZLQKRCRFTGJ-KRWDZBQOSA-N 2 1 330.436 1.347 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3cn[nH]n3)C2)ccn1 ZINC000856585029 596024139 /nfs/dbraw/zinc/02/41/39/596024139.db2.gz XLQZLQKRCRFTGJ-KRWDZBQOSA-N 2 1 330.436 1.347 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3cn[nH]n3)C2)ccn1 ZINC000856585029 596024142 /nfs/dbraw/zinc/02/41/42/596024142.db2.gz XLQZLQKRCRFTGJ-KRWDZBQOSA-N 2 1 330.436 1.347 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3c[nH]nn3)C2)ccn1 ZINC000856585029 596024145 /nfs/dbraw/zinc/02/41/45/596024145.db2.gz XLQZLQKRCRFTGJ-KRWDZBQOSA-N 2 1 330.436 1.347 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3c[nH]nn3)C2)ccn1 ZINC000856585029 596024146 /nfs/dbraw/zinc/02/41/46/596024146.db2.gz XLQZLQKRCRFTGJ-KRWDZBQOSA-N 2 1 330.436 1.347 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3c[nH]nn3)C2)ccn1 ZINC000856585029 596024149 /nfs/dbraw/zinc/02/41/49/596024149.db2.gz XLQZLQKRCRFTGJ-KRWDZBQOSA-N 2 1 330.436 1.347 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3c[nH]nn3)C2)ccn1 ZINC000856585029 596024152 /nfs/dbraw/zinc/02/41/52/596024152.db2.gz XLQZLQKRCRFTGJ-KRWDZBQOSA-N 2 1 330.436 1.347 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](O)CSC)C2)ccn1 ZINC000856587165 596025796 /nfs/dbraw/zinc/02/57/96/596025796.db2.gz WSELGAWLXYXDFW-NVXWUHKLSA-N 2 1 339.505 1.710 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H](O)CSC)C2)ccn1 ZINC000856587165 596025798 /nfs/dbraw/zinc/02/57/98/596025798.db2.gz WSELGAWLXYXDFW-NVXWUHKLSA-N 2 1 339.505 1.710 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H](O)CSC)C2)ccn1 ZINC000856587165 596025800 /nfs/dbraw/zinc/02/58/00/596025800.db2.gz WSELGAWLXYXDFW-NVXWUHKLSA-N 2 1 339.505 1.710 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000861555938 596029225 /nfs/dbraw/zinc/02/92/25/596029225.db2.gz YNWBCLPYTTWCOP-KRWDZBQOSA-N 2 1 347.507 1.183 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H](C)[NH+](C)C)C2)ccn1 ZINC000856654457 596043375 /nfs/dbraw/zinc/04/33/75/596043375.db2.gz NUWOXIGJKOUPRP-MAUKXSAKSA-N 2 1 348.491 1.852 20 0 EDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000852106075 596045950 /nfs/dbraw/zinc/04/59/50/596045950.db2.gz TWRKJXWDZLQMTI-QGZVFWFLSA-N 2 1 337.489 1.294 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000852106075 596045955 /nfs/dbraw/zinc/04/59/55/596045955.db2.gz TWRKJXWDZLQMTI-QGZVFWFLSA-N 2 1 337.489 1.294 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000852106075 596045960 /nfs/dbraw/zinc/04/59/60/596045960.db2.gz TWRKJXWDZLQMTI-QGZVFWFLSA-N 2 1 337.489 1.294 20 0 EDADMP Clc1ccc(CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cn1 ZINC000852746536 596237715 /nfs/dbraw/zinc/23/77/15/596237715.db2.gz NNLZDUDLOZCOMR-OAHLLOKOSA-N 2 1 336.867 1.374 20 0 EDADMP CCO[C@@H]1C[N@@H+](CCOc2ccc(/C=C\C(=O)OC)cc2)C[C@H]1C[NH3+] ZINC000866667569 596286136 /nfs/dbraw/zinc/28/61/36/596286136.db2.gz QFLQCBVWLGAPLB-UBUVMBRLSA-N 2 1 348.443 1.547 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000866706326 596301729 /nfs/dbraw/zinc/30/17/29/596301729.db2.gz OCXAMCVNVNGHSO-UZLBHIALSA-N 2 1 345.487 1.803 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000866706326 596301731 /nfs/dbraw/zinc/30/17/31/596301731.db2.gz OCXAMCVNVNGHSO-UZLBHIALSA-N 2 1 345.487 1.803 20 0 EDADMP O=C(CN1CCC[C@H]2[NH2+]CC[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000866723518 596310581 /nfs/dbraw/zinc/31/05/81/596310581.db2.gz FCYNXTYDTYHWHZ-RTBURBONSA-N 2 1 342.487 1.157 20 0 EDADMP CCOC(=O)C1=CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000863577402 596624563 /nfs/dbraw/zinc/62/45/63/596624563.db2.gz YPPYNEBSRWMDDN-QZTJIDSGSA-N 2 1 332.444 1.721 20 0 EDADMP CCOC(=O)C1=CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000863577402 596624566 /nfs/dbraw/zinc/62/45/66/596624566.db2.gz YPPYNEBSRWMDDN-QZTJIDSGSA-N 2 1 332.444 1.721 20 0 EDADMP C[C@@H](NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C1CC[NH2+]CC1 ZINC000868005205 596651561 /nfs/dbraw/zinc/65/15/61/596651561.db2.gz JZXYJRIUISTPLX-APWZRJJASA-N 2 1 344.503 1.479 20 0 EDADMP C[NH+](C)C1(C)CCC([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000865764992 596673612 /nfs/dbraw/zinc/67/36/12/596673612.db2.gz HOOWDYAYXVRFFM-UHFFFAOYSA-N 3 1 346.523 1.581 20 0 EDADMP O[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC1(O)CCOCC1 ZINC000863969700 596738329 /nfs/dbraw/zinc/73/83/29/596738329.db2.gz YLZWWZKQQVLHKV-SJORKVTESA-N 2 1 326.481 1.229 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868254954 596749721 /nfs/dbraw/zinc/74/97/21/596749721.db2.gz KGHQUHKMCHUBDX-OWCLPIDISA-N 2 1 330.432 1.040 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000868297297 596773737 /nfs/dbraw/zinc/77/37/37/596773737.db2.gz HWYXBIMQOIJHMB-UHFFFAOYSA-N 2 1 332.448 1.287 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000868309869 596783317 /nfs/dbraw/zinc/78/33/17/596783317.db2.gz NQASKVHUEWUMEJ-WBVHZDCISA-N 2 1 344.459 1.287 20 0 EDADMP Cc1nccnc1[C@@H](C)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000872135358 596808378 /nfs/dbraw/zinc/80/83/78/596808378.db2.gz VXGYEMROEGWOHW-MRXNPFEDSA-N 2 1 333.480 1.232 20 0 EDADMP CNC(=O)Cc1noc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158959 596816529 /nfs/dbraw/zinc/81/65/29/596816529.db2.gz ZMUQPKVDOSCCLQ-ZFWWWQNUSA-N 2 1 349.479 1.478 20 0 EDADMP CNC(=O)Cc1noc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158959 596816531 /nfs/dbraw/zinc/81/65/31/596816531.db2.gz ZMUQPKVDOSCCLQ-ZFWWWQNUSA-N 2 1 349.479 1.478 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000872231147 596847309 /nfs/dbraw/zinc/84/73/09/596847309.db2.gz MTRLIFHCSHMZQR-RTBURBONSA-N 2 1 348.487 1.655 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000872231147 596847312 /nfs/dbraw/zinc/84/73/12/596847312.db2.gz MTRLIFHCSHMZQR-RTBURBONSA-N 2 1 348.487 1.655 20 0 EDADMP Cc1ccc(CCC[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cn1 ZINC000872256948 596857299 /nfs/dbraw/zinc/85/72/99/596857299.db2.gz GMVYOIZLRKSJOV-BBWFWOEESA-N 2 1 330.432 1.190 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000872256983 596857564 /nfs/dbraw/zinc/85/75/64/596857564.db2.gz HAZHAADJVNRAGY-FRRDWIJNSA-N 2 1 334.445 1.387 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C[N@H+](C)C4)CC[C@H]21 ZINC000874169291 596949868 /nfs/dbraw/zinc/94/98/68/596949868.db2.gz DMNAQCGFCWKKAA-RHSMWYFYSA-N 2 1 342.443 1.123 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C[N@@H+](C)C4)CC[C@H]21 ZINC000874169291 596949870 /nfs/dbraw/zinc/94/98/70/596949870.db2.gz DMNAQCGFCWKKAA-RHSMWYFYSA-N 2 1 342.443 1.123 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)cc2C1 ZINC000874169291 596949872 /nfs/dbraw/zinc/94/98/72/596949872.db2.gz DMNAQCGFCWKKAA-RHSMWYFYSA-N 2 1 342.443 1.123 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)cc2C1 ZINC000874169291 596949874 /nfs/dbraw/zinc/94/98/74/596949874.db2.gz DMNAQCGFCWKKAA-RHSMWYFYSA-N 2 1 342.443 1.123 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc(Cl)nc2c1cnn2C ZINC000872596491 596981770 /nfs/dbraw/zinc/98/17/70/596981770.db2.gz XDUGIBCOQDWKAL-NSHDSACASA-N 2 1 339.875 1.701 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc(Cl)nc2c1cnn2C ZINC000872596491 596981772 /nfs/dbraw/zinc/98/17/72/596981772.db2.gz XDUGIBCOQDWKAL-NSHDSACASA-N 2 1 339.875 1.701 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4[C@H]3CCC[NH+]4C)cc2C1 ZINC000874365886 597037204 /nfs/dbraw/zinc/03/72/04/597037204.db2.gz TWIDAFCRPCNGEO-DLBZAZTESA-N 2 1 342.443 1.266 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4[C@H]3CCC[NH+]4C)cc2C1 ZINC000874365886 597037208 /nfs/dbraw/zinc/03/72/08/597037208.db2.gz TWIDAFCRPCNGEO-DLBZAZTESA-N 2 1 342.443 1.266 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4C)cc2C1 ZINC000874365886 597037210 /nfs/dbraw/zinc/03/72/10/597037210.db2.gz TWIDAFCRPCNGEO-DLBZAZTESA-N 2 1 342.443 1.266 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4C)cc2C1 ZINC000874365886 597037212 /nfs/dbraw/zinc/03/72/12/597037212.db2.gz TWIDAFCRPCNGEO-DLBZAZTESA-N 2 1 342.443 1.266 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000874431694 597075421 /nfs/dbraw/zinc/07/54/21/597075421.db2.gz BFLRQAROIXOTQW-AOIWGVFYSA-N 2 1 328.460 1.845 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000875014075 597244203 /nfs/dbraw/zinc/24/42/03/597244203.db2.gz GVQCODJIRPKIOG-BBWFWOEESA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000875014075 597244206 /nfs/dbraw/zinc/24/42/06/597244206.db2.gz GVQCODJIRPKIOG-BBWFWOEESA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000875014075 597244211 /nfs/dbraw/zinc/24/42/11/597244211.db2.gz GVQCODJIRPKIOG-BBWFWOEESA-N 2 1 338.496 1.079 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)[nH+]c1 ZINC000875086686 597276281 /nfs/dbraw/zinc/27/62/81/597276281.db2.gz ZUEVPRPJWHIJLL-HNNXBMFYSA-N 2 1 349.479 1.336 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)[nH+]c1 ZINC000875086686 597276284 /nfs/dbraw/zinc/27/62/84/597276284.db2.gz ZUEVPRPJWHIJLL-HNNXBMFYSA-N 2 1 349.479 1.336 20 0 EDADMP [NH3+]C1(CC(=O)NO[C@H]2CCCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000876706231 597295575 /nfs/dbraw/zinc/29/55/75/597295575.db2.gz KRTXDWPBWLSODD-SFHVURJKSA-N 2 1 347.459 1.944 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)c1 ZINC000876728006 597308791 /nfs/dbraw/zinc/30/87/91/597308791.db2.gz FVOGFWTURLDQIN-KBMXLJTQSA-N 2 1 348.422 1.022 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)c1 ZINC000876728006 597308796 /nfs/dbraw/zinc/30/87/96/597308796.db2.gz FVOGFWTURLDQIN-KBMXLJTQSA-N 2 1 348.422 1.022 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000876727760 597309239 /nfs/dbraw/zinc/30/92/39/597309239.db2.gz BNAXAQHLEVHKNY-JKSUJKDBSA-N 2 1 333.480 1.530 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)/C=C/[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000876737860 597314990 /nfs/dbraw/zinc/31/49/90/597314990.db2.gz VABHPTLASVQXLP-QNRUKEONSA-N 2 1 335.492 1.642 20 0 EDADMP C[C@H](CNC(=O)c1c(C[NH3+])cnn1C)[N@H+]1CCc2ccccc2C1 ZINC000876738795 597315417 /nfs/dbraw/zinc/31/54/17/597315417.db2.gz ASNJNSCAKPIHJH-CYBMUJFWSA-N 2 1 327.432 1.055 20 0 EDADMP C[C@H](c1ccc(NC(=O)c2c(C[NH3+])cnn2C)cc1)[NH+]1CCOCC1 ZINC000876755889 597323622 /nfs/dbraw/zinc/32/36/22/597323622.db2.gz NEJASHJEWOCVDQ-CYBMUJFWSA-N 2 1 343.431 1.524 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)cc2)CC1 ZINC000876782601 597338763 /nfs/dbraw/zinc/33/87/63/597338763.db2.gz XTFJNSXRWGUJDL-ZWKOTPCHSA-N 2 1 344.503 1.424 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)C1CCCC1 ZINC000875241799 597349600 /nfs/dbraw/zinc/34/96/00/597349600.db2.gz OIXZXOXQTYUCLY-AWEZNQCLSA-N 2 1 326.485 1.005 20 0 EDADMP C[NH+](CCNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)C1CCCC1 ZINC000875241799 597349604 /nfs/dbraw/zinc/34/96/04/597349604.db2.gz OIXZXOXQTYUCLY-AWEZNQCLSA-N 2 1 326.485 1.005 20 0 EDADMP C[NH+](CCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)C1CCCC1 ZINC000875241799 597349607 /nfs/dbraw/zinc/34/96/07/597349607.db2.gz OIXZXOXQTYUCLY-AWEZNQCLSA-N 2 1 326.485 1.005 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876976843 597403379 /nfs/dbraw/zinc/40/33/79/597403379.db2.gz RIGVFIDCESAMCU-FGTMMUONSA-N 2 1 344.503 1.292 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876976843 597403385 /nfs/dbraw/zinc/40/33/85/597403385.db2.gz RIGVFIDCESAMCU-FGTMMUONSA-N 2 1 344.503 1.292 20 0 EDADMP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877119087 597437165 /nfs/dbraw/zinc/43/71/65/597437165.db2.gz ABTSIKVTOBBSBF-QZTJIDSGSA-N 2 1 331.460 1.393 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])C1 ZINC000877229225 597469237 /nfs/dbraw/zinc/46/92/37/597469237.db2.gz JFPFZPJDTYREHH-QXAKKESOSA-N 2 1 347.503 1.931 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])C1 ZINC000877229225 597469240 /nfs/dbraw/zinc/46/92/40/597469240.db2.gz JFPFZPJDTYREHH-QXAKKESOSA-N 2 1 347.503 1.931 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000877230252 597469923 /nfs/dbraw/zinc/46/99/23/597469923.db2.gz YMMIQKHJVXJLKO-SJORKVTESA-N 2 1 331.460 1.310 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000877230252 597469926 /nfs/dbraw/zinc/46/99/26/597469926.db2.gz YMMIQKHJVXJLKO-SJORKVTESA-N 2 1 331.460 1.310 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000877229635 597469991 /nfs/dbraw/zinc/46/99/91/597469991.db2.gz OSOYHQDVZZROJY-QZTJIDSGSA-N 2 1 331.460 1.439 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000877229635 597469994 /nfs/dbraw/zinc/46/99/94/597469994.db2.gz OSOYHQDVZZROJY-QZTJIDSGSA-N 2 1 331.460 1.439 20 0 EDADMP COc1ccc([C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2[NH3+])cc1 ZINC000877239523 597475150 /nfs/dbraw/zinc/47/51/50/597475150.db2.gz PPRNABNXACLOED-DLBZAZTESA-N 2 1 342.443 1.968 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@]34CCC[C@H]3[NH2+]CC4)cc2)CC1 ZINC000877389379 597507631 /nfs/dbraw/zinc/50/76/31/597507631.db2.gz BZUYOMVCPAMWMY-QUCCMNQESA-N 2 1 342.487 1.448 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000877588668 597539385 /nfs/dbraw/zinc/53/93/85/597539385.db2.gz VLMLDMYUDHVWPI-KRWDZBQOSA-N 2 1 349.475 1.932 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CC(C)(C)N1CCOCC1 ZINC000877664322 597546084 /nfs/dbraw/zinc/54/60/84/597546084.db2.gz NNDKSYMDXVEOTI-UHFFFAOYSA-N 2 1 327.513 1.387 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC2)CC1 ZINC000878247143 597589667 /nfs/dbraw/zinc/58/96/67/597589667.db2.gz USIQYKKRYGIZBZ-GBESFXJTSA-N 2 1 349.519 1.820 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879566423 597634140 /nfs/dbraw/zinc/63/41/40/597634140.db2.gz GATCJOGKRIRLIY-JZXOWHBKSA-N 2 1 348.443 1.239 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879566423 597634143 /nfs/dbraw/zinc/63/41/43/597634143.db2.gz GATCJOGKRIRLIY-JZXOWHBKSA-N 2 1 348.443 1.239 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879566423 597634145 /nfs/dbraw/zinc/63/41/45/597634145.db2.gz GATCJOGKRIRLIY-JZXOWHBKSA-N 2 1 348.443 1.239 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000879566423 597634148 /nfs/dbraw/zinc/63/41/48/597634148.db2.gz GATCJOGKRIRLIY-JZXOWHBKSA-N 2 1 348.443 1.239 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C[C@]3(O)CC[NH+](Cc4ccccc4)C3)CC[C@H]21 ZINC000879580147 597642472 /nfs/dbraw/zinc/64/24/72/597642472.db2.gz RVBSTOAPEWUNKA-VAMGGRTRSA-N 2 1 329.488 1.649 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC000879580147 597642476 /nfs/dbraw/zinc/64/24/76/597642476.db2.gz RVBSTOAPEWUNKA-VAMGGRTRSA-N 2 1 329.488 1.649 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC000879580147 597642479 /nfs/dbraw/zinc/64/24/79/597642479.db2.gz RVBSTOAPEWUNKA-VAMGGRTRSA-N 2 1 329.488 1.649 20 0 EDADMP Cn1cc(-c2cc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)on2)cn1 ZINC000879595392 597650622 /nfs/dbraw/zinc/65/06/22/597650622.db2.gz ALSQUCDCHSKIEH-UHFFFAOYSA-N 2 1 344.463 1.287 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883139705 597664590 /nfs/dbraw/zinc/66/45/90/597664590.db2.gz WYVZTWMQXFIDJG-INIZCTEOSA-N 2 1 349.479 1.270 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(F)(F)C(F)(F)F ZINC000883361480 597724959 /nfs/dbraw/zinc/72/49/59/597724959.db2.gz DVWJLNPZKIVAKI-MNOVXSKESA-N 2 1 332.313 1.388 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883416265 597739202 /nfs/dbraw/zinc/73/92/02/597739202.db2.gz QMEDFLLLJHYEBC-INIZCTEOSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](CCCOC(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000883424064 597741896 /nfs/dbraw/zinc/74/18/96/597741896.db2.gz DRQKQPJJBFGLFQ-STQMWFEESA-N 2 1 337.386 1.493 20 0 EDADMP Brc1ccccc1CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000883430287 597744064 /nfs/dbraw/zinc/74/40/64/597744064.db2.gz RJKGIKSWTNNVOI-OAHLLOKOSA-N 2 1 338.293 1.971 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](C[C@@H]3CCC4(CCOCC4)O3)C2)nn1 ZINC000883431740 597744398 /nfs/dbraw/zinc/74/43/98/597744398.db2.gz CMDFDFMNOARBBF-HOTGVXAUSA-N 2 1 335.452 1.102 20 0 EDADMP C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883436302 597745936 /nfs/dbraw/zinc/74/59/36/597745936.db2.gz PFZVLQMXPXTPQS-RDJZCZTQSA-N 2 1 343.475 1.786 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2nsc3ccccc23)C1 ZINC000883438846 597747232 /nfs/dbraw/zinc/74/72/32/597747232.db2.gz DNGFEGIDPQOQQC-BYCMXARLSA-N 2 1 344.440 1.663 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2nsc3ccccc23)C1 ZINC000883438846 597747233 /nfs/dbraw/zinc/74/72/33/597747233.db2.gz DNGFEGIDPQOQQC-BYCMXARLSA-N 2 1 344.440 1.663 20 0 EDADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000883442555 597748774 /nfs/dbraw/zinc/74/87/74/597748774.db2.gz NPKAUUJMVJDTSR-IAOVAPTHSA-N 2 1 346.475 1.566 20 0 EDADMP CN1CCN(C(=O)CC[NH+]2CCC(C)([NH+]3CCCCC3)CC2)CC1 ZINC000879952169 597781660 /nfs/dbraw/zinc/78/16/60/597781660.db2.gz UGKANISZZXVMSB-UHFFFAOYSA-N 2 1 336.524 1.491 20 0 EDADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[C@H](O)Cn1cccn1)C2 ZINC000880021050 597812149 /nfs/dbraw/zinc/81/21/49/597812149.db2.gz WTDQDILFNLLJPG-AABGKKOBSA-N 2 1 340.471 1.698 20 0 EDADMP C[C@]12C[NH+](C[C@H](O)Cn3cccn3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880021050 597812152 /nfs/dbraw/zinc/81/21/52/597812152.db2.gz WTDQDILFNLLJPG-AABGKKOBSA-N 2 1 340.471 1.698 20 0 EDADMP C[C@]12C[NH+](C[C@H](O)Cn3cccn3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880021050 597812155 /nfs/dbraw/zinc/81/21/55/597812155.db2.gz WTDQDILFNLLJPG-AABGKKOBSA-N 2 1 340.471 1.698 20 0 EDADMP [NH3+]C[C@H]1CCCN1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883586322 597814401 /nfs/dbraw/zinc/81/44/01/597814401.db2.gz JCBKFVIXDZLTRJ-QZTJIDSGSA-N 2 1 343.475 1.926 20 0 EDADMP CN(C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)[C@@H]1CC[NH2+]C1 ZINC000883586771 597815524 /nfs/dbraw/zinc/81/55/24/597815524.db2.gz SAJYZJYYJSGXHR-QZTJIDSGSA-N 2 1 343.475 1.797 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)CC2(CO)CCCC2)CCN1c1cc[nH+]cc1 ZINC000880259726 597885888 /nfs/dbraw/zinc/88/58/88/597885888.db2.gz ZVMPOWPOEJGZDQ-SJLPKXTDSA-N 2 1 333.476 1.896 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC000883801677 597907201 /nfs/dbraw/zinc/90/72/01/597907201.db2.gz ITJVGSYHOJNMRZ-ZWKOTPCHSA-N 2 1 330.476 1.963 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000883801677 597907202 /nfs/dbraw/zinc/90/72/02/597907202.db2.gz ITJVGSYHOJNMRZ-ZWKOTPCHSA-N 2 1 330.476 1.963 20 0 EDADMP O=C(C[N@H+]1CC=C[C@@H]1CO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000880485922 597943359 /nfs/dbraw/zinc/94/33/59/597943359.db2.gz MBFPOEPZVNXHKI-GOSISDBHSA-N 2 1 329.444 1.131 20 0 EDADMP O=C(C[N@@H+]1CC=C[C@@H]1CO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000880485922 597943362 /nfs/dbraw/zinc/94/33/62/597943362.db2.gz MBFPOEPZVNXHKI-GOSISDBHSA-N 2 1 329.444 1.131 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000880569619 597967048 /nfs/dbraw/zinc/96/70/48/597967048.db2.gz MUPJSEVEUPFXPE-GOSISDBHSA-N 2 1 341.459 1.378 20 0 EDADMP C[NH+](C)Cc1ccnc(NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1 ZINC000880604354 597978868 /nfs/dbraw/zinc/97/88/68/597978868.db2.gz USYXUQKGCHQSKJ-AWEZNQCLSA-N 2 1 335.452 1.110 20 0 EDADMP C[NH2+]CCOc1ccccc1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000884219590 598032953 /nfs/dbraw/zinc/03/29/53/598032953.db2.gz UAEVJLSHWJELHU-UHFFFAOYSA-N 2 1 331.420 1.014 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000130315822 598086776 /nfs/dbraw/zinc/08/67/76/598086776.db2.gz OVWUFYMYAGRUKO-LVQVYYBASA-N 2 1 338.496 1.362 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C[C@@H]1C ZINC000130315822 598086779 /nfs/dbraw/zinc/08/67/79/598086779.db2.gz OVWUFYMYAGRUKO-LVQVYYBASA-N 2 1 338.496 1.362 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884394121 598091683 /nfs/dbraw/zinc/09/16/83/598091683.db2.gz VASGFJOUMHFJET-SJORKVTESA-N 2 1 343.475 1.238 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(CCOc3cccc(F)c3)nn2)CC1 ZINC000881214672 598099875 /nfs/dbraw/zinc/09/98/75/598099875.db2.gz MWNATUUXVGCIHT-UHFFFAOYSA-N 2 1 333.411 1.462 20 0 EDADMP CCO[C@H](CNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000914342584 695367014 /nfs/dbraw/zinc/36/70/14/695367014.db2.gz ZZBPVPXFLVNYJG-BZUAXINKSA-N 2 1 328.501 1.373 20 0 EDADMP CO[C@H](CN1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1)C1CCC1 ZINC001031050700 695385478 /nfs/dbraw/zinc/38/54/78/695385478.db2.gz UVECNYRWYKQYSH-QZTJIDSGSA-N 2 1 337.508 1.865 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](CCC[C@H]3CCOC3)C2)CC1 ZINC001031188748 695708874 /nfs/dbraw/zinc/70/88/74/695708874.db2.gz ZYSMFQKRPBNOMH-INIZCTEOSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cc(N[C@@H]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]23)nc(C)[nH+]1 ZINC001060536015 695840209 /nfs/dbraw/zinc/84/02/09/695840209.db2.gz YREZUGACYNIKNX-IXDOHACOSA-N 2 1 343.475 1.838 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000915656851 695963833 /nfs/dbraw/zinc/96/38/33/695963833.db2.gz CRCDJKCDCKGYBK-YOEHRIQHSA-N 2 1 349.479 1.380 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000915656851 695963834 /nfs/dbraw/zinc/96/38/34/695963834.db2.gz CRCDJKCDCKGYBK-YOEHRIQHSA-N 2 1 349.479 1.380 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000993685345 696308313 /nfs/dbraw/zinc/30/83/13/696308313.db2.gz QWWCSJPVGFMNIE-RDJZCZTQSA-N 2 1 347.507 1.764 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@H+]1Cc1cnn(C)c1 ZINC000993685345 696308314 /nfs/dbraw/zinc/30/83/14/696308314.db2.gz QWWCSJPVGFMNIE-RDJZCZTQSA-N 2 1 347.507 1.764 20 0 EDADMP C[C@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000993925981 696446032 /nfs/dbraw/zinc/44/60/32/696446032.db2.gz JAHFWZJYJCTVAD-YJBOKZPZSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1Cc1cnn(C)c1 ZINC000993925981 696446033 /nfs/dbraw/zinc/44/60/33/696446033.db2.gz JAHFWZJYJCTVAD-YJBOKZPZSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1CCn1cccn1 ZINC000993929367 696448495 /nfs/dbraw/zinc/44/84/95/696448495.db2.gz PKWMLAAXRJWBPW-WMZOPIPTSA-N 2 1 347.507 1.584 20 0 EDADMP Cc1ncsc1CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001015707074 696609362 /nfs/dbraw/zinc/60/93/62/696609362.db2.gz ZGLCUZSAACXSIC-UKRRQHHQSA-N 2 1 336.505 1.526 20 0 EDADMP Cc1ncsc1CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015707074 696609363 /nfs/dbraw/zinc/60/93/63/696609363.db2.gz ZGLCUZSAACXSIC-UKRRQHHQSA-N 2 1 336.505 1.526 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015707074 696609364 /nfs/dbraw/zinc/60/93/64/696609364.db2.gz ZGLCUZSAACXSIC-UKRRQHHQSA-N 2 1 336.505 1.526 20 0 EDADMP CCc1nocc1C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994256219 696661356 /nfs/dbraw/zinc/66/13/56/696661356.db2.gz RPOYUBOJWDTDMZ-PBHICJAKSA-N 2 1 346.475 1.802 20 0 EDADMP CCc1nocc1C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994256219 696661357 /nfs/dbraw/zinc/66/13/57/696661357.db2.gz RPOYUBOJWDTDMZ-PBHICJAKSA-N 2 1 346.475 1.802 20 0 EDADMP CCO[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)C[NH+](C)C ZINC000916865169 696800824 /nfs/dbraw/zinc/80/08/24/696800824.db2.gz JGTAIAQZYOTGGF-CVEARBPZSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC3(C2)CC[NH+](CCCO)CC3)CC[N@H+]1C ZINC001040822924 697086000 /nfs/dbraw/zinc/08/60/00/697086000.db2.gz PXEPSEZPVKKFGF-IRXDYDNUSA-N 2 1 337.508 1.414 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](CC[C@@H]3CCCO3)C2)c1 ZINC001031433798 697096312 /nfs/dbraw/zinc/09/63/12/697096312.db2.gz RDDQDSBRJXXVNR-SFHVURJKSA-N 2 1 331.460 1.731 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)NC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001031437422 697100671 /nfs/dbraw/zinc/10/06/71/697100671.db2.gz AZUUOLRUTFLQRV-QGZVFWFLSA-N 2 1 331.460 1.731 20 0 EDADMP C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1cccnc1 ZINC000918894976 697221417 /nfs/dbraw/zinc/22/14/17/697221417.db2.gz ZDYNPRRVEMSUAU-DOTOQJQBSA-N 2 1 331.464 1.610 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001031584373 697279847 /nfs/dbraw/zinc/27/98/47/697279847.db2.gz CFKBNTJSRVMDOM-IAGOWNOFSA-N 2 1 335.423 1.001 20 0 EDADMP COc1cccc(CCC[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001031584927 697280420 /nfs/dbraw/zinc/28/04/20/697280420.db2.gz MSQJAGHOYYNGIY-LJQANCHMSA-N 2 1 345.487 1.770 20 0 EDADMP CCN1C(=O)CN(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000155072700 697327696 /nfs/dbraw/zinc/32/76/96/697327696.db2.gz DTXOKFUCHJLILV-UHFFFAOYSA-N 2 1 336.480 1.816 20 0 EDADMP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031668597 697461151 /nfs/dbraw/zinc/46/11/51/697461151.db2.gz KOTXOVHMAFMCHZ-IRXDYDNUSA-N 2 1 335.492 1.478 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@@H](OC)C3CCC3)C2)CC[N@H+]1C ZINC001031685594 697519147 /nfs/dbraw/zinc/51/91/47/697519147.db2.gz CXPOGLPQZSTDSX-RCCFBDPRSA-N 2 1 337.508 1.580 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001031713836 697739558 /nfs/dbraw/zinc/73/95/58/697739558.db2.gz GHGSRDGQYUWWKC-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000237567741 698017386 /nfs/dbraw/zinc/01/73/86/698017386.db2.gz WGVPROVORSYTDX-NVXWUHKLSA-N 2 1 344.459 1.654 20 0 EDADMP CC[C@H](C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1)OC ZINC001031729618 698055622 /nfs/dbraw/zinc/05/56/22/698055622.db2.gz RDBZVVXQZSSERG-DLBZAZTESA-N 2 1 325.497 1.437 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2c(C)noc2C)C1 ZINC000995038004 700195999 /nfs/dbraw/zinc/19/59/99/700195999.db2.gz OUXZXSGXGMYVHE-HOTGVXAUSA-N 2 1 345.447 1.871 20 0 EDADMP O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001031730212 698066885 /nfs/dbraw/zinc/06/68/85/698066885.db2.gz HEKAIZHGNOQUQG-MAUKXSAKSA-N 2 1 335.492 1.478 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3cncs3)CC2)CC[N@H+]1C ZINC000940117038 700249571 /nfs/dbraw/zinc/24/95/71/700249571.db2.gz OTPINELPYFTGDW-UKRRQHHQSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H]1C[N@@H+](CCOc2ccccc2)CC[C@@H]1NC(=O)Cc1ncc[nH]1 ZINC000943765230 698814572 /nfs/dbraw/zinc/81/45/72/698814572.db2.gz BQIMEMQCLSXSMV-RDJZCZTQSA-N 2 1 342.443 1.858 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccnn3C)C[C@@H]2C)CC1 ZINC000943756430 698831773 /nfs/dbraw/zinc/83/17/73/698831773.db2.gz PSVIMVTWEKUAPQ-FUHWJXTLSA-N 2 1 347.507 1.479 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031764293 699042346 /nfs/dbraw/zinc/04/23/46/699042346.db2.gz CEVLHQVXNZIYAE-UHFFFAOYSA-N 2 1 332.448 1.407 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)n1 ZINC000939128488 699207143 /nfs/dbraw/zinc/20/71/43/699207143.db2.gz KZRRSKUTBRDWHT-GOEBONIOSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)n1 ZINC000939128488 699207145 /nfs/dbraw/zinc/20/71/45/699207145.db2.gz KZRRSKUTBRDWHT-GOEBONIOSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939137834 699225288 /nfs/dbraw/zinc/22/52/88/699225288.db2.gz OCLXLMIHICCHJA-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC000939236960 699406593 /nfs/dbraw/zinc/40/65/93/699406593.db2.gz SJOZCFGQFZULFT-HZPDHXFCSA-N 2 1 344.463 1.340 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001031806597 699429717 /nfs/dbraw/zinc/42/97/17/699429717.db2.gz IDUVPZSSAIQKKA-AEFFLSMTSA-N 2 1 337.508 1.581 20 0 EDADMP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000939549560 699675263 /nfs/dbraw/zinc/67/52/63/699675263.db2.gz ATORHJGKFTUCDZ-XJKSGUPXSA-N 2 1 344.459 1.584 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](CCC(C)(C)C)C3)CC2)C1 ZINC000941665565 701619360 /nfs/dbraw/zinc/61/93/60/701619360.db2.gz JVMJRTOADSBHCA-INIZCTEOSA-N 2 1 336.524 1.203 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](CC4CCCCC4)C3)CC2)C1 ZINC000941666341 701620775 /nfs/dbraw/zinc/62/07/75/701620775.db2.gz VYGKWIYGHNZKCI-SFHVURJKSA-N 2 1 348.535 1.347 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@H+](C)C3CCC3)CC2)on1 ZINC000940154400 700284717 /nfs/dbraw/zinc/28/47/17/700284717.db2.gz WYRKRTLEUKQOFB-UHFFFAOYSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000940179014 700312702 /nfs/dbraw/zinc/31/27/02/700312702.db2.gz PIYBCPGPKDOYBE-CQSZACIVSA-N 2 1 335.452 1.333 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000940179014 700312704 /nfs/dbraw/zinc/31/27/04/700312704.db2.gz PIYBCPGPKDOYBE-CQSZACIVSA-N 2 1 335.452 1.333 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC(C)([NH2+]C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000940281899 700470696 /nfs/dbraw/zinc/47/06/96/700470696.db2.gz CMEDETSNQUIDNT-BBWFWOEESA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1 ZINC000940328374 700506464 /nfs/dbraw/zinc/50/64/64/700506464.db2.gz ICMXQLRMCSHORI-JSGCOSHPSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1 ZINC000940328374 700506466 /nfs/dbraw/zinc/50/64/66/700506466.db2.gz ICMXQLRMCSHORI-JSGCOSHPSA-N 2 1 337.493 1.207 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC000940328393 700506737 /nfs/dbraw/zinc/50/67/37/700506737.db2.gz IQNGFBIUWOBOBH-AWEZNQCLSA-N 2 1 334.464 1.938 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940457684 700661473 /nfs/dbraw/zinc/66/14/73/700661473.db2.gz PNTLABXDFJSNHE-HNNXBMFYSA-N 2 1 348.491 1.968 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000940461767 700665258 /nfs/dbraw/zinc/66/52/58/700665258.db2.gz JTVQUQQSKWCNBP-HNNXBMFYSA-N 2 1 333.480 1.151 20 0 EDADMP CN1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccnc3)CC2(C)C)C1 ZINC000940650095 700812072 /nfs/dbraw/zinc/81/20/72/700812072.db2.gz WYKBMJLGAGAQAK-IRXDYDNUSA-N 2 1 346.475 1.129 20 0 EDADMP CN1CCO[C@H](C(=O)N[C@H]2CCN(Cc3cccnc3)CC2(C)C)C1 ZINC000940650095 700812073 /nfs/dbraw/zinc/81/20/73/700812073.db2.gz WYKBMJLGAGAQAK-IRXDYDNUSA-N 2 1 346.475 1.129 20 0 EDADMP CC1(C)C[N@@H+](CCCF)CC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000940745737 700872386 /nfs/dbraw/zinc/87/23/86/700872386.db2.gz TXCWPZGZOLLCTC-HZPDHXFCSA-N 2 1 325.472 1.905 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)CC2(C)C)n1 ZINC000940754089 700890690 /nfs/dbraw/zinc/89/06/90/700890690.db2.gz TXLZMISPFJXKJS-KRWDZBQOSA-N 2 1 347.507 1.685 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)[nH]1 ZINC000995107814 700971548 /nfs/dbraw/zinc/97/15/48/700971548.db2.gz SAWVLLUDRABXCT-LSDHHAIUSA-N 2 1 348.495 1.220 20 0 EDADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900006 700975275 /nfs/dbraw/zinc/97/52/75/700975275.db2.gz APTHLKFONFRZKW-RXCRORICSA-N 2 1 349.519 1.866 20 0 EDADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900006 700975277 /nfs/dbraw/zinc/97/52/77/700975277.db2.gz APTHLKFONFRZKW-RXCRORICSA-N 2 1 349.519 1.866 20 0 EDADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900006 700975278 /nfs/dbraw/zinc/97/52/78/700975278.db2.gz APTHLKFONFRZKW-RXCRORICSA-N 2 1 349.519 1.866 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940972164 701014645 /nfs/dbraw/zinc/01/46/45/701014645.db2.gz JDUHBCYNUBUNSR-IRXDYDNUSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940972164 701014646 /nfs/dbraw/zinc/01/46/46/701014646.db2.gz JDUHBCYNUBUNSR-IRXDYDNUSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940972164 701014648 /nfs/dbraw/zinc/01/46/48/701014648.db2.gz JDUHBCYNUBUNSR-IRXDYDNUSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940972164 701014650 /nfs/dbraw/zinc/01/46/50/701014650.db2.gz JDUHBCYNUBUNSR-IRXDYDNUSA-N 2 1 339.524 1.968 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCCO)CC2(C)C)C1 ZINC000940972633 701014798 /nfs/dbraw/zinc/01/47/98/701014798.db2.gz OMZVTAISCFLFJH-IAGOWNOFSA-N 2 1 339.524 1.708 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCCO)CC2(C)C)C1 ZINC000940972633 701014800 /nfs/dbraw/zinc/01/48/00/701014800.db2.gz OMZVTAISCFLFJH-IAGOWNOFSA-N 2 1 339.524 1.708 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCO)CC2(C)C)C1 ZINC000940972633 701014802 /nfs/dbraw/zinc/01/48/02/701014802.db2.gz OMZVTAISCFLFJH-IAGOWNOFSA-N 2 1 339.524 1.708 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001032197509 701694942 /nfs/dbraw/zinc/69/49/42/701694942.db2.gz MGQSOUDTCVNHAY-CRAIPNDOSA-N 2 1 331.460 1.516 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001032197509 701694943 /nfs/dbraw/zinc/69/49/43/701694943.db2.gz MGQSOUDTCVNHAY-CRAIPNDOSA-N 2 1 331.460 1.516 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1C[NH+](C[C@@H]3CCCOC3)C1)CC2 ZINC001031931749 701371481 /nfs/dbraw/zinc/37/14/81/701371481.db2.gz NHOUQLWMUPTAPG-RDJZCZTQSA-N 2 1 346.475 1.229 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)cn1 ZINC000941217436 701403658 /nfs/dbraw/zinc/40/36/58/701403658.db2.gz OUCFHAAEZDBREV-IRXDYDNUSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)cn1 ZINC000941217436 701403660 /nfs/dbraw/zinc/40/36/60/701403660.db2.gz OUCFHAAEZDBREV-IRXDYDNUSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941217436 701403662 /nfs/dbraw/zinc/40/36/62/701403662.db2.gz OUCFHAAEZDBREV-IRXDYDNUSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941217436 701403663 /nfs/dbraw/zinc/40/36/63/701403663.db2.gz OUCFHAAEZDBREV-IRXDYDNUSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)CC1(C)C ZINC000941220240 701410663 /nfs/dbraw/zinc/41/06/63/701410663.db2.gz AVKNUPLHLHDSAH-INIZCTEOSA-N 2 1 344.463 1.342 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)CC1(C)C ZINC000941220240 701410664 /nfs/dbraw/zinc/41/06/64/701410664.db2.gz AVKNUPLHLHDSAH-INIZCTEOSA-N 2 1 344.463 1.342 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)CC1(C)C ZINC000941223720 701413982 /nfs/dbraw/zinc/41/39/82/701413982.db2.gz KAIFDTWIGDFOMC-QGZVFWFLSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)CC1(C)C ZINC000941223720 701413984 /nfs/dbraw/zinc/41/39/84/701413984.db2.gz KAIFDTWIGDFOMC-QGZVFWFLSA-N 2 1 348.491 1.835 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOC)CC1(C)C ZINC000941238671 701428969 /nfs/dbraw/zinc/42/89/69/701428969.db2.gz ZMRWNJGENRSEPS-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCOC)CC1(C)C ZINC000941238671 701428970 /nfs/dbraw/zinc/42/89/70/701428970.db2.gz ZMRWNJGENRSEPS-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCOC)CC1(C)C ZINC000941238671 701428972 /nfs/dbraw/zinc/42/89/72/701428972.db2.gz ZMRWNJGENRSEPS-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH+]1CCC(C(=O)NCC2C[NH+](C[C@H](O)c3ccccc3F)C2)CC1 ZINC001031949545 701526134 /nfs/dbraw/zinc/52/61/34/701526134.db2.gz YFIZPKVDCAEZHH-SFHVURJKSA-N 2 1 349.450 1.249 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941460301 701544221 /nfs/dbraw/zinc/54/42/21/701544221.db2.gz PDLUSDRZWYUYCL-SFHVURJKSA-N 2 1 334.508 1.099 20 0 EDADMP Cc1nc(C(C)C)oc1C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130143 701835111 /nfs/dbraw/zinc/83/51/11/701835111.db2.gz GUDJENSHDWXVSG-UHFFFAOYSA-N 2 1 346.475 1.750 20 0 EDADMP O=C(NCC1C[NH+](C[C@H](O)c2ccccc2F)C1)C12CC[NH+](CC1)C2 ZINC001032131222 701852911 /nfs/dbraw/zinc/85/29/11/701852911.db2.gz GXFAUCWQLHWOOD-KRWDZBQOSA-N 2 1 347.434 1.003 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCc3ccc(C)cc3)C2)C1 ZINC001032201960 701909513 /nfs/dbraw/zinc/90/95/13/701909513.db2.gz LQYNFJXIMJDCDZ-IBGZPJMESA-N 2 1 345.487 1.306 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CC3CCOCC3)C(C)(C)C2)CC[N@H+]1C ZINC000995832448 702108786 /nfs/dbraw/zinc/10/87/86/702108786.db2.gz MVVXJIJNUUPVLE-DJIMGWMZSA-N 2 1 337.508 1.580 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ncccc2C)C1 ZINC001032206348 702144260 /nfs/dbraw/zinc/14/42/60/702144260.db2.gz XSETWMCKBUDEIE-SFHVURJKSA-N 2 1 330.476 1.812 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ncccc2C)C1 ZINC001032206348 702144265 /nfs/dbraw/zinc/14/42/65/702144265.db2.gz XSETWMCKBUDEIE-SFHVURJKSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1nnc(CN[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995920100 702240575 /nfs/dbraw/zinc/24/05/75/702240575.db2.gz SHVGPCBUMMPGJT-AWEZNQCLSA-N 2 1 335.452 1.189 20 0 EDADMP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995912427 702270705 /nfs/dbraw/zinc/27/07/05/702270705.db2.gz DQIZJUPIUGMBQV-JKSUJKDBSA-N 2 1 334.464 1.876 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995912427 702270709 /nfs/dbraw/zinc/27/07/09/702270709.db2.gz DQIZJUPIUGMBQV-JKSUJKDBSA-N 2 1 334.464 1.876 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001032186864 702286007 /nfs/dbraw/zinc/28/60/07/702286007.db2.gz YHXMAPMSHOVKLL-KRWDZBQOSA-N 2 1 326.444 1.668 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnccc2C)C1 ZINC000995192471 702306849 /nfs/dbraw/zinc/30/68/49/702306849.db2.gz CHPBLMXLLCAFQN-FUHWJXTLSA-N 2 1 341.459 1.970 20 0 EDADMP Cc1ccnc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000999224612 706658240 /nfs/dbraw/zinc/65/82/40/706658240.db2.gz ROZNYOWDMIMASF-UHFFFAOYSA-N 2 1 345.491 1.738 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCOC1 ZINC001032664694 706659418 /nfs/dbraw/zinc/65/94/18/706659418.db2.gz OAPXBNHFMMWFHF-IKGGRYGDSA-N 2 1 346.475 1.718 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032664694 706659419 /nfs/dbraw/zinc/65/94/19/706659419.db2.gz OAPXBNHFMMWFHF-IKGGRYGDSA-N 2 1 346.475 1.718 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001032186427 702325796 /nfs/dbraw/zinc/32/57/96/702325796.db2.gz QBYPHXSOZPNUQS-LSDHHAIUSA-N 2 1 329.435 1.812 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000995981909 702341567 /nfs/dbraw/zinc/34/15/67/702341567.db2.gz OEUPLJXHNMKMOT-HUUCEWRRSA-N 2 1 336.505 1.954 20 0 EDADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000995984600 702344934 /nfs/dbraw/zinc/34/49/34/702344934.db2.gz JYZZFBMNIIAQKC-HNNXBMFYSA-N 2 1 325.497 1.458 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000995985582 702346897 /nfs/dbraw/zinc/34/68/97/702346897.db2.gz WJJBZQRHARIISH-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944169114 702410295 /nfs/dbraw/zinc/41/02/95/702410295.db2.gz MDTKDBJFDCJHFZ-HOCLYGCPSA-N 2 1 343.475 1.207 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)on1 ZINC000944171532 702417342 /nfs/dbraw/zinc/41/73/42/702417342.db2.gz YAAOQOOAWYLBON-ZFWWWQNUSA-N 2 1 348.447 1.106 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)on1 ZINC000944171532 702417349 /nfs/dbraw/zinc/41/73/49/702417349.db2.gz YAAOQOOAWYLBON-ZFWWWQNUSA-N 2 1 348.447 1.106 20 0 EDADMP CCn1ccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995196513 702442220 /nfs/dbraw/zinc/44/22/20/702442220.db2.gz LGGUEDHQBNSQHM-JKSUJKDBSA-N 2 1 344.463 1.483 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000995199311 702481215 /nfs/dbraw/zinc/48/12/15/702481215.db2.gz PMCWLHRSLGMVHC-HZPDHXFCSA-N 2 1 327.432 1.661 20 0 EDADMP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031994437 702594537 /nfs/dbraw/zinc/59/45/37/702594537.db2.gz YCXNVWGWAFZFFZ-LZQZEXGQSA-N 2 1 345.487 1.415 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ncc(C)cn2)C(C)(C)C1)[NH+](C)C ZINC000996313027 702701578 /nfs/dbraw/zinc/70/15/78/702701578.db2.gz BZAWSBRTNFWDJM-LSDHHAIUSA-N 2 1 333.480 1.452 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H]([NH2+][C@H](C)C(N)=O)C(C)(C)C1 ZINC000996372924 702740506 /nfs/dbraw/zinc/74/05/06/702740506.db2.gz HWKKLOZOCQHFDV-KGLIPLIRSA-N 2 1 349.479 1.097 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)no1 ZINC000942257138 702748131 /nfs/dbraw/zinc/74/81/31/702748131.db2.gz JNZMJVWQSZTSMI-RHSMWYFYSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)no1 ZINC000942257138 702748133 /nfs/dbraw/zinc/74/81/33/702748133.db2.gz JNZMJVWQSZTSMI-RHSMWYFYSA-N 2 1 346.475 1.938 20 0 EDADMP CCn1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC000996462993 702790475 /nfs/dbraw/zinc/79/04/75/702790475.db2.gz DOVYKXQHKXOBHY-KRWDZBQOSA-N 2 1 348.495 1.251 20 0 EDADMP Cc1conc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996465155 702792420 /nfs/dbraw/zinc/79/24/20/702792420.db2.gz RJEPQWHHCNXLOT-KRWDZBQOSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1conc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996502126 702840642 /nfs/dbraw/zinc/84/06/42/702840642.db2.gz RFSXJZKDKRMPLX-WBVHZDCISA-N 2 1 346.475 1.938 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996517007 702852497 /nfs/dbraw/zinc/85/24/97/702852497.db2.gz DCJCQOQNJOLMNA-NVXWUHKLSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)sn1 ZINC000996611714 702917015 /nfs/dbraw/zinc/91/70/15/702917015.db2.gz ODMSZKKDZCPPQU-OAHLLOKOSA-N 2 1 347.488 1.983 20 0 EDADMP O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996624197 702921759 /nfs/dbraw/zinc/92/17/59/702921759.db2.gz WYLRFMWILURYFW-QZTJIDSGSA-N 2 1 335.492 1.620 20 0 EDADMP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996616451 702923787 /nfs/dbraw/zinc/92/37/87/702923787.db2.gz SBGGSBRPVIJGNN-WBVHZDCISA-N 2 1 330.476 1.668 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)nn1C ZINC000996666466 702963150 /nfs/dbraw/zinc/96/31/50/702963150.db2.gz SBDBUEMKMPVVCX-UHFFFAOYSA-N 2 1 333.480 1.293 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000996667532 702964879 /nfs/dbraw/zinc/96/48/79/702964879.db2.gz CVMVQMYXELZUBK-MRXNPFEDSA-N 2 1 348.495 1.159 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)c1csnn1 ZINC000996671524 702972585 /nfs/dbraw/zinc/97/25/85/702972585.db2.gz GYSYTFILRIFUFH-GFCCVEGCSA-N 2 1 337.493 1.664 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000996679061 702977767 /nfs/dbraw/zinc/97/77/67/702977767.db2.gz PSOUASRMFHFJGX-QGZVFWFLSA-N 2 1 339.443 1.936 20 0 EDADMP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000996679161 702978205 /nfs/dbraw/zinc/97/82/05/702978205.db2.gz QBQJVDXFZMEGJV-MRXNPFEDSA-N 2 1 342.447 1.275 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996688345 702985444 /nfs/dbraw/zinc/98/54/44/702985444.db2.gz IBBNGSQFIPWFIH-CQSZACIVSA-N 2 1 337.493 1.493 20 0 EDADMP COc1cncc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000996721993 703016902 /nfs/dbraw/zinc/01/69/02/703016902.db2.gz IFDXTTLLFJTFKM-MRXNPFEDSA-N 2 1 347.463 1.050 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1C ZINC000942518518 703019959 /nfs/dbraw/zinc/01/99/59/703019959.db2.gz SQTIIVJAFKRHAX-SJKOYZFVSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1C ZINC000942518518 703019960 /nfs/dbraw/zinc/01/99/60/703019960.db2.gz SQTIIVJAFKRHAX-SJKOYZFVSA-N 2 1 345.447 1.823 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001032027412 703049347 /nfs/dbraw/zinc/04/93/47/703049347.db2.gz RCCBABXMYPOXNU-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001032026319 703052465 /nfs/dbraw/zinc/05/24/65/703052465.db2.gz CDVXYIHQDRPDTJ-AEFFLSMTSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1C[N@H+](Cc2nccn2C)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598101 703112956 /nfs/dbraw/zinc/11/29/56/703112956.db2.gz RKALVTTZYVYELB-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2nccn2C)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598101 703112958 /nfs/dbraw/zinc/11/29/58/703112958.db2.gz RKALVTTZYVYELB-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H]1C[N@H+](Cc2nccn2C)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598102 703112995 /nfs/dbraw/zinc/11/29/95/703112995.db2.gz RKALVTTZYVYELB-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H]1C[N@@H+](Cc2nccn2C)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598102 703112997 /nfs/dbraw/zinc/11/29/97/703112997.db2.gz RKALVTTZYVYELB-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996853794 703132380 /nfs/dbraw/zinc/13/23/80/703132380.db2.gz FXSDSSNMCDYVMN-ZIAGYGMSSA-N 2 1 344.381 1.828 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC000996868285 703140909 /nfs/dbraw/zinc/14/09/09/703140909.db2.gz PLOPLNJRIGMBQK-UHFFFAOYSA-N 2 1 335.452 1.333 20 0 EDADMP CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000995267459 703187580 /nfs/dbraw/zinc/18/75/80/703187580.db2.gz LIEUGRSNQFPNHM-MSOLQXFVSA-N 2 1 330.476 1.704 20 0 EDADMP CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000995267459 703187582 /nfs/dbraw/zinc/18/75/82/703187582.db2.gz LIEUGRSNQFPNHM-MSOLQXFVSA-N 2 1 330.476 1.704 20 0 EDADMP CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000995267459 703187584 /nfs/dbraw/zinc/18/75/84/703187584.db2.gz LIEUGRSNQFPNHM-MSOLQXFVSA-N 2 1 330.476 1.704 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)n1 ZINC000996922091 703193097 /nfs/dbraw/zinc/19/30/97/703193097.db2.gz LUNAEPZBRYHOAM-GUTXKFCHSA-N 2 1 349.479 1.750 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)n1 ZINC000996922091 703193099 /nfs/dbraw/zinc/19/30/99/703193099.db2.gz LUNAEPZBRYHOAM-GUTXKFCHSA-N 2 1 349.479 1.750 20 0 EDADMP CCn1ncnc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000996922987 703193976 /nfs/dbraw/zinc/19/39/76/703193976.db2.gz PXMYOTFVIUYXIR-GJZGRUSLSA-N 2 1 348.495 1.109 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042683 703204258 /nfs/dbraw/zinc/20/42/58/703204258.db2.gz DVHXYOHOXNQJCC-SJLPKXTDSA-N 2 1 346.475 1.802 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032042683 703204261 /nfs/dbraw/zinc/20/42/61/703204261.db2.gz DVHXYOHOXNQJCC-SJLPKXTDSA-N 2 1 346.475 1.802 20 0 EDADMP Cc1conc1CN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000996978793 703234082 /nfs/dbraw/zinc/23/40/82/703234082.db2.gz JRWYTZAKSPOGEY-RHSMWYFYSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1conc1C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000996978793 703234086 /nfs/dbraw/zinc/23/40/86/703234086.db2.gz JRWYTZAKSPOGEY-RHSMWYFYSA-N 2 1 334.464 1.794 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000996993312 703249797 /nfs/dbraw/zinc/24/97/97/703249797.db2.gz CMLFVXYJOVRANH-CQSZACIVSA-N 2 1 349.479 1.587 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000996993312 703249798 /nfs/dbraw/zinc/24/97/98/703249798.db2.gz CMLFVXYJOVRANH-CQSZACIVSA-N 2 1 349.479 1.587 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)cn1 ZINC000996999071 703255948 /nfs/dbraw/zinc/25/59/48/703255948.db2.gz LTYZAMLFPFLELB-AWEZNQCLSA-N 2 1 331.464 1.350 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC000997005081 703262258 /nfs/dbraw/zinc/26/22/58/703262258.db2.gz CFGMBJKHRYMPEH-CJNGLKHVSA-N 2 1 346.475 1.830 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)c(C)o1 ZINC000997005387 703262704 /nfs/dbraw/zinc/26/27/04/703262704.db2.gz DJAVKWROWFSQMV-WBMJQRKESA-N 2 1 334.464 1.570 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000997006905 703264071 /nfs/dbraw/zinc/26/40/71/703264071.db2.gz HFRGCZAHFKIPBZ-DYVFJYSZSA-N 2 1 334.439 1.499 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC000997007978 703265530 /nfs/dbraw/zinc/26/55/30/703265530.db2.gz SKVRGQQFQIHEAT-CQSZACIVSA-N 2 1 331.464 1.207 20 0 EDADMP CC(C)c1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)no1 ZINC000997012626 703272419 /nfs/dbraw/zinc/27/24/19/703272419.db2.gz YAYLLYCKTBHASL-UKRRQHHQSA-N 2 1 349.479 1.471 20 0 EDADMP CC(C)c1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)no1 ZINC000997012626 703272421 /nfs/dbraw/zinc/27/24/21/703272421.db2.gz YAYLLYCKTBHASL-UKRRQHHQSA-N 2 1 349.479 1.471 20 0 EDADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000997085686 703331129 /nfs/dbraw/zinc/33/11/29/703331129.db2.gz SREJBWRNIBSLFH-GOEBONIOSA-N 2 1 349.504 1.636 20 0 EDADMP Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000997093463 703340672 /nfs/dbraw/zinc/34/06/72/703340672.db2.gz OCRIPXDFGGMERE-DLBZAZTESA-N 2 1 345.491 1.518 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCOC)CC1 ZINC000997119407 703376145 /nfs/dbraw/zinc/37/61/45/703376145.db2.gz IHVOQNLWLUSTAZ-NVXWUHKLSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(F)(F)C2)CC[N@H+]1C ZINC001032411671 703446871 /nfs/dbraw/zinc/44/68/71/703446871.db2.gz UYNKGAHBQVTHBD-UQOMUDLDSA-N 2 1 327.419 1.657 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(F)(F)C2)CC[NH+]1C ZINC001032411671 703446873 /nfs/dbraw/zinc/44/68/73/703446873.db2.gz UYNKGAHBQVTHBD-UQOMUDLDSA-N 2 1 327.419 1.657 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(F)(F)C2)CC[NH+]1C ZINC001032411671 703446874 /nfs/dbraw/zinc/44/68/74/703446874.db2.gz UYNKGAHBQVTHBD-UQOMUDLDSA-N 2 1 327.419 1.657 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2nc(C3CCC3)no2)CC1 ZINC000997301618 703544931 /nfs/dbraw/zinc/54/49/31/703544931.db2.gz GEJJFPBJJMIXSS-UHFFFAOYSA-N 2 1 347.463 1.514 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC000997302462 703545277 /nfs/dbraw/zinc/54/52/77/703545277.db2.gz IVYKMXIHABSYAL-SJLPKXTDSA-N 2 1 331.460 1.252 20 0 EDADMP CC(C)c1cnc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997296759 703555434 /nfs/dbraw/zinc/55/54/34/703555434.db2.gz BSMSOUVIHVJVMK-AWEZNQCLSA-N 2 1 334.464 1.830 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3nc(C(F)F)no3)CC2)C1 ZINC000997297882 703556028 /nfs/dbraw/zinc/55/60/28/703556028.db2.gz GUVGRHJQSGOECB-SNVBAGLBSA-N 2 1 343.378 1.040 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3nc(C(F)F)no3)CC2)C1 ZINC000997297882 703556029 /nfs/dbraw/zinc/55/60/29/703556029.db2.gz GUVGRHJQSGOECB-SNVBAGLBSA-N 2 1 343.378 1.040 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]C[C@@H](O)C3CCCCC3)CC2)C1 ZINC000997299525 703556974 /nfs/dbraw/zinc/55/69/74/703556974.db2.gz OWWKQFIGPAQKHF-SJLPKXTDSA-N 2 1 337.508 1.460 20 0 EDADMP CCCn1c(C)nnc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997299904 703557059 /nfs/dbraw/zinc/55/70/59/703557059.db2.gz RAWHTRLOYMTFOC-HNNXBMFYSA-N 2 1 348.495 1.029 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000997310717 703567319 /nfs/dbraw/zinc/56/73/19/703567319.db2.gz SWCKYSVTXLUSRH-UHFFFAOYSA-N 2 1 342.443 1.465 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3C)CC2)C1 ZINC000997336500 703579397 /nfs/dbraw/zinc/57/93/97/703579397.db2.gz PUJALJMJTNHHMU-IBGZPJMESA-N 2 1 345.487 1.796 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3C)CC2)C1 ZINC000997336500 703579399 /nfs/dbraw/zinc/57/93/99/703579399.db2.gz PUJALJMJTNHHMU-IBGZPJMESA-N 2 1 345.487 1.796 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000997366464 703600529 /nfs/dbraw/zinc/60/05/29/703600529.db2.gz BGGBKNHMYRYZRB-SFHVURJKSA-N 2 1 347.507 1.684 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000997367607 703601786 /nfs/dbraw/zinc/60/17/86/703601786.db2.gz LBMGFGXNQPPATJ-OAHLLOKOSA-N 2 1 337.493 1.493 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000997367607 703601788 /nfs/dbraw/zinc/60/17/88/703601788.db2.gz LBMGFGXNQPPATJ-OAHLLOKOSA-N 2 1 337.493 1.493 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1)C1CCC1 ZINC001032444048 703621195 /nfs/dbraw/zinc/62/11/95/703621195.db2.gz IHYQEGWAWXHKBL-ULQDDVLXSA-N 2 1 335.492 1.571 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C)C1CCC1 ZINC001032459411 703639099 /nfs/dbraw/zinc/63/90/99/703639099.db2.gz BILKGPVMGXAQLJ-XSLAGTTESA-N 2 1 337.508 1.673 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC000997419686 703670046 /nfs/dbraw/zinc/67/00/46/703670046.db2.gz BTHRWMJXWFNIGQ-WBVHZDCISA-N 2 1 345.491 1.453 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000997420340 703670138 /nfs/dbraw/zinc/67/01/38/703670138.db2.gz HJTOKPFKFGUREI-QAPCUYQASA-N 2 1 347.507 1.131 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)co1 ZINC000997422414 703671163 /nfs/dbraw/zinc/67/11/63/703671163.db2.gz XTQWTFLTRNFHKO-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)co1 ZINC000997422414 703671164 /nfs/dbraw/zinc/67/11/64/703671164.db2.gz XTQWTFLTRNFHKO-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP CC(C)c1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997605584 703903446 /nfs/dbraw/zinc/90/34/46/703903446.db2.gz GNAGSLASHRTICS-HNNXBMFYSA-N 2 1 349.479 1.615 20 0 EDADMP CC(C)c1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000997605584 703903448 /nfs/dbraw/zinc/90/34/48/703903448.db2.gz GNAGSLASHRTICS-HNNXBMFYSA-N 2 1 349.479 1.615 20 0 EDADMP CCn1c(C)nnc1CN[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995554388 703968989 /nfs/dbraw/zinc/96/89/89/703968989.db2.gz WTTIMDQSAZAZMV-CABCVRRESA-N 2 1 348.495 1.027 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995554388 703968990 /nfs/dbraw/zinc/96/89/90/703968990.db2.gz WTTIMDQSAZAZMV-CABCVRRESA-N 2 1 348.495 1.027 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032522891 703971253 /nfs/dbraw/zinc/97/12/53/703971253.db2.gz TYTSMYNDFCNYGI-ROUUACIJSA-N 2 1 340.427 1.660 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995555500 703975259 /nfs/dbraw/zinc/97/52/59/703975259.db2.gz ZJAMWONSOFRLQH-SJORKVTESA-N 2 1 330.476 1.811 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033074905 704114724 /nfs/dbraw/zinc/11/47/24/704114724.db2.gz BVEJUXABPDYFHM-QGZVFWFLSA-N 2 1 347.507 1.680 20 0 EDADMP CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033090091 704171930 /nfs/dbraw/zinc/17/19/30/704171930.db2.gz FKOIXFPZLHWXNC-KSZLIROESA-N 2 1 337.508 1.676 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccn3)C2)CC[N@H+]1C ZINC001033096209 704184058 /nfs/dbraw/zinc/18/40/58/704184058.db2.gz KZULQOYOMGVHCG-OKZBNKHCSA-N 2 1 330.476 1.845 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccn3)C2)CC[NH+]1C ZINC001033096209 704184059 /nfs/dbraw/zinc/18/40/59/704184059.db2.gz KZULQOYOMGVHCG-OKZBNKHCSA-N 2 1 330.476 1.845 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccn3)C2)CC[NH+]1C ZINC001033096209 704184060 /nfs/dbraw/zinc/18/40/60/704184060.db2.gz KZULQOYOMGVHCG-OKZBNKHCSA-N 2 1 330.476 1.845 20 0 EDADMP CCc1nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc(C)[nH+]1 ZINC001061470474 704203856 /nfs/dbraw/zinc/20/38/56/704203856.db2.gz FKVHVIPEZGYPIW-BZUAXINKSA-N 2 1 345.491 1.773 20 0 EDADMP CCc1nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc(C)[nH+]1 ZINC001061470474 704203858 /nfs/dbraw/zinc/20/38/58/704203858.db2.gz FKVHVIPEZGYPIW-BZUAXINKSA-N 2 1 345.491 1.773 20 0 EDADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597792 704294709 /nfs/dbraw/zinc/29/47/09/704294709.db2.gz KLCDRZOJHWYSIC-HCXYKTFWSA-N 2 1 349.519 1.820 20 0 EDADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597792 704294711 /nfs/dbraw/zinc/29/47/11/704294711.db2.gz KLCDRZOJHWYSIC-HCXYKTFWSA-N 2 1 349.519 1.820 20 0 EDADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597792 704294714 /nfs/dbraw/zinc/29/47/14/704294714.db2.gz KLCDRZOJHWYSIC-HCXYKTFWSA-N 2 1 349.519 1.820 20 0 EDADMP CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC[C@@H]2C1 ZINC000946598063 704309208 /nfs/dbraw/zinc/30/92/08/704309208.db2.gz WLSBRVWMYPEVSX-IYBDPMFKSA-N 2 1 333.480 1.249 20 0 EDADMP CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004382198 704360936 /nfs/dbraw/zinc/36/09/36/704360936.db2.gz VQZBNORLXLWZEC-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004382198 704360937 /nfs/dbraw/zinc/36/09/37/704360937.db2.gz VQZBNORLXLWZEC-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001004382198 704360939 /nfs/dbraw/zinc/36/09/39/704360939.db2.gz VQZBNORLXLWZEC-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001004382198 704360941 /nfs/dbraw/zinc/36/09/41/704360941.db2.gz VQZBNORLXLWZEC-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3CCCC4(CCC4)O3)cn2)CC1 ZINC000922813712 704381850 /nfs/dbraw/zinc/38/18/50/704381850.db2.gz RGPWMGXLZYFZIH-KRWDZBQOSA-N 2 1 345.491 1.810 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCO)CC1 ZINC001004446406 704429439 /nfs/dbraw/zinc/42/94/39/704429439.db2.gz LCPOZFFOZBJZOH-ROUUACIJSA-N 2 1 337.508 1.556 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004446406 704429440 /nfs/dbraw/zinc/42/94/40/704429440.db2.gz LCPOZFFOZBJZOH-ROUUACIJSA-N 2 1 337.508 1.556 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004446406 704429441 /nfs/dbraw/zinc/42/94/41/704429441.db2.gz LCPOZFFOZBJZOH-ROUUACIJSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1)C1CC1 ZINC001004457349 704450683 /nfs/dbraw/zinc/45/06/83/704450683.db2.gz KEIQMLWSHLGHME-MSOLQXFVSA-N 2 1 337.508 1.412 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1ccccn1 ZINC000947934196 704607669 /nfs/dbraw/zinc/60/76/69/704607669.db2.gz JQGYNZLNNVUUIA-CVEARBPZSA-N 2 1 328.460 1.647 20 0 EDADMP CCc1nocc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997784156 704687920 /nfs/dbraw/zinc/68/79/20/704687920.db2.gz BWFYSELAHQFSGM-RHSMWYFYSA-N 2 1 348.491 1.905 20 0 EDADMP O=C(CCn1ccnc1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)C1CCCCC1 ZINC001032551478 704691698 /nfs/dbraw/zinc/69/16/98/704691698.db2.gz UEOAYOZPTIGDPZ-OKZBNKHCSA-N 2 1 346.475 1.500 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997819912 704740963 /nfs/dbraw/zinc/74/09/63/704740963.db2.gz FDQQPBHSMLKWES-MRXNPFEDSA-N 2 1 335.452 1.272 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)o1 ZINC000997822284 704741905 /nfs/dbraw/zinc/74/19/05/704741905.db2.gz AHXMPCDLPNRGET-UHFFFAOYSA-N 2 1 349.479 1.445 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997840147 704756346 /nfs/dbraw/zinc/75/63/46/704756346.db2.gz MSBWQZLCPTZNFI-ROUUACIJSA-N 2 1 337.508 1.726 20 0 EDADMP Cn1ccc(C[NH2+]CC2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000997840493 704756753 /nfs/dbraw/zinc/75/67/53/704756753.db2.gz NUQBCDMXYSKRIY-SFHVURJKSA-N 2 1 347.507 1.623 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)o1 ZINC000997854533 704766736 /nfs/dbraw/zinc/76/67/36/704766736.db2.gz FYFHLAAGLYGHSH-CQSZACIVSA-N 2 1 337.468 1.300 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000997864468 704770882 /nfs/dbraw/zinc/77/08/82/704770882.db2.gz JDOWKEDVITTXRB-INIZCTEOSA-N 2 1 336.505 1.956 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1)c1cnccn1 ZINC000997865273 704772549 /nfs/dbraw/zinc/77/25/49/704772549.db2.gz NBOUNSSFAVNPGI-YJBOKZPZSA-N 2 1 345.491 1.850 20 0 EDADMP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997865205 704772555 /nfs/dbraw/zinc/77/25/55/704772555.db2.gz MHTVUDGOILCUQG-INIZCTEOSA-N 2 1 334.464 1.796 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000997865440 704772633 /nfs/dbraw/zinc/77/26/33/704772633.db2.gz OWPAKLAZDXLJRC-GOSISDBHSA-N 2 1 330.476 1.894 20 0 EDADMP Cc1nccnc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000998081283 705301976 /nfs/dbraw/zinc/30/19/76/705301976.db2.gz IDDYBFOQRILBSD-OAHLLOKOSA-N 2 1 345.491 1.455 20 0 EDADMP Cc1nocc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000998081680 705302852 /nfs/dbraw/zinc/30/28/52/705302852.db2.gz LVNBQWNBAGANKJ-AWEZNQCLSA-N 2 1 334.464 1.653 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@@H]1CCC[N@H+](CCCF)CC1 ZINC000998189872 705495485 /nfs/dbraw/zinc/49/54/85/705495485.db2.gz OETSSCKECBTHKT-IAGOWNOFSA-N 2 1 343.487 1.770 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC000998189872 705495490 /nfs/dbraw/zinc/49/54/90/705495490.db2.gz OETSSCKECBTHKT-IAGOWNOFSA-N 2 1 343.487 1.770 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@@H]1CCC[NH+](CCCF)CC1 ZINC000998189872 705495494 /nfs/dbraw/zinc/49/54/94/705495494.db2.gz OETSSCKECBTHKT-IAGOWNOFSA-N 2 1 343.487 1.770 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@@H]1CCC[NH+](CCCF)CC1 ZINC000998189872 705495495 /nfs/dbraw/zinc/49/54/95/705495495.db2.gz OETSSCKECBTHKT-IAGOWNOFSA-N 2 1 343.487 1.770 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]CC3CCOCC3)CC2)C1 ZINC000998216761 705538764 /nfs/dbraw/zinc/53/87/64/705538764.db2.gz KMVKKWJEJVOFRQ-SFHVURJKSA-N 2 1 337.508 1.583 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1ncccn1 ZINC000998216773 705539376 /nfs/dbraw/zinc/53/93/76/705539376.db2.gz KPSKZGQBZUPUPL-WBVHZDCISA-N 2 1 345.491 1.708 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC000998287689 705682928 /nfs/dbraw/zinc/68/29/28/705682928.db2.gz PTPFZYPXKJGACD-KBPBESRZSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1 ZINC000998309105 705715129 /nfs/dbraw/zinc/71/51/29/705715129.db2.gz CVGXNTJMGMUOFH-KGLIPLIRSA-N 2 1 344.381 1.971 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)C1CCCCC1)[NH+](C)C ZINC001032634666 705906855 /nfs/dbraw/zinc/90/68/55/705906855.db2.gz QEFAMVRMRGHMLW-XLAORIBOSA-N 2 1 337.508 1.553 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000998548398 705983872 /nfs/dbraw/zinc/98/38/72/705983872.db2.gz HNPWKIKUIPRPER-RUXDESIVSA-N 2 1 348.495 1.275 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998720046 706152415 /nfs/dbraw/zinc/15/24/15/706152415.db2.gz IAURXJAIICJPGV-GJZGRUSLSA-N 2 1 334.468 1.034 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998720046 706152417 /nfs/dbraw/zinc/15/24/17/706152417.db2.gz IAURXJAIICJPGV-GJZGRUSLSA-N 2 1 334.468 1.034 20 0 EDADMP CCCn1c(C)nnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998722647 706154170 /nfs/dbraw/zinc/15/41/70/706154170.db2.gz PHUAMJJARGBTKO-HOTGVXAUSA-N 2 1 348.495 1.171 20 0 EDADMP CCCn1c(C)nnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998722647 706154173 /nfs/dbraw/zinc/15/41/73/706154173.db2.gz PHUAMJJARGBTKO-HOTGVXAUSA-N 2 1 348.495 1.171 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000998722639 706154292 /nfs/dbraw/zinc/15/42/92/706154292.db2.gz PEWMJJRDEZGTIA-GOEBONIOSA-N 2 1 334.468 1.034 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC000998722639 706154293 /nfs/dbraw/zinc/15/42/93/706154293.db2.gz PEWMJJRDEZGTIA-GOEBONIOSA-N 2 1 334.468 1.034 20 0 EDADMP CC(C)c1ocnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998723993 706155996 /nfs/dbraw/zinc/15/59/96/706155996.db2.gz SYBKMORSUDOWAO-HOCLYGCPSA-N 2 1 334.464 1.973 20 0 EDADMP CC(C)c1ocnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998723993 706155998 /nfs/dbraw/zinc/15/59/98/706155998.db2.gz SYBKMORSUDOWAO-HOCLYGCPSA-N 2 1 334.464 1.973 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)oc1C ZINC000998780336 706221447 /nfs/dbraw/zinc/22/14/47/706221447.db2.gz NPSKTGPAIJLUAV-OFLPRAFFSA-N 2 1 346.475 1.712 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)o1 ZINC000998792896 706239948 /nfs/dbraw/zinc/23/99/48/706239948.db2.gz FFDPPUBPRCCWNB-PFSRBDOWSA-N 2 1 349.479 1.441 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)o1 ZINC000998792896 706239951 /nfs/dbraw/zinc/23/99/51/706239951.db2.gz FFDPPUBPRCCWNB-PFSRBDOWSA-N 2 1 349.479 1.441 20 0 EDADMP Cc1ccc(F)cc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998831242 706261166 /nfs/dbraw/zinc/26/11/66/706261166.db2.gz ZVJDYEIKCWJPDL-ZWKOTPCHSA-N 2 1 349.450 1.545 20 0 EDADMP Cc1ccc(F)cc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998831242 706261167 /nfs/dbraw/zinc/26/11/67/706261167.db2.gz ZVJDYEIKCWJPDL-ZWKOTPCHSA-N 2 1 349.450 1.545 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC000998827114 706273719 /nfs/dbraw/zinc/27/37/19/706273719.db2.gz QKUFKHWQCXFXOQ-SJORKVTESA-N 2 1 335.492 1.478 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC000998827114 706273721 /nfs/dbraw/zinc/27/37/21/706273721.db2.gz QKUFKHWQCXFXOQ-SJORKVTESA-N 2 1 335.492 1.478 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)o2)C1 ZINC000998868807 706294331 /nfs/dbraw/zinc/29/43/31/706294331.db2.gz YYHIZNNZGTVKQK-YMAMQOFZSA-N 2 1 335.452 1.331 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)o2)C1 ZINC000998868807 706294333 /nfs/dbraw/zinc/29/43/33/706294333.db2.gz YYHIZNNZGTVKQK-YMAMQOFZSA-N 2 1 335.452 1.331 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C1CC([NH2+]CC2CC2)C1 ZINC000998898474 706326079 /nfs/dbraw/zinc/32/60/79/706326079.db2.gz LLHAOSDNEYWMCN-VJFUWPCTSA-N 2 1 335.492 1.619 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC000998994855 706412375 /nfs/dbraw/zinc/41/23/75/706412375.db2.gz LMVRZRSFSDJJMU-YMAMQOFZSA-N 2 1 346.479 1.245 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000999834861 707468126 /nfs/dbraw/zinc/46/81/26/707468126.db2.gz YPBSWKCFXIYJLX-UHFFFAOYSA-N 2 1 332.448 1.727 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1)C1CCC1 ZINC000999373579 706868335 /nfs/dbraw/zinc/86/83/35/706868335.db2.gz GTBVZKDCJHOKFT-WBVHZDCISA-N 2 1 337.508 1.866 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1)C1CCC1 ZINC000999364339 706878151 /nfs/dbraw/zinc/87/81/51/706878151.db2.gz MJYHUVQZSRKTDY-INIZCTEOSA-N 2 1 334.439 1.786 20 0 EDADMP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999402692 706910975 /nfs/dbraw/zinc/91/09/75/706910975.db2.gz JAWFLMBNAPHSSE-OOHWJJMZSA-N 2 1 346.475 1.511 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2ccccn2)C1 ZINC000999403090 706911477 /nfs/dbraw/zinc/91/14/77/706911477.db2.gz NFEJYVIAZZIKKH-UHFFFAOYSA-N 2 1 330.476 1.893 20 0 EDADMP Cn1nccc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999403684 706912738 /nfs/dbraw/zinc/91/27/38/706912738.db2.gz XRRUFSMSOXIOTF-HZPDHXFCSA-N 2 1 333.480 1.375 20 0 EDADMP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999404800 706913741 /nfs/dbraw/zinc/91/37/41/706913741.db2.gz CKTAPJNLVIYQJG-JEYLPNPQSA-N 2 1 334.464 1.800 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)on1 ZINC000999405760 706915240 /nfs/dbraw/zinc/91/52/40/706915240.db2.gz HKFSDVUWEATKBG-HSBZDZAISA-N 2 1 336.436 1.247 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)no1 ZINC000999406981 706916514 /nfs/dbraw/zinc/91/65/14/706916514.db2.gz MMUJSHCEIKGNTQ-NVXWUHKLSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)no1 ZINC000999406981 706916517 /nfs/dbraw/zinc/91/65/17/706916517.db2.gz MMUJSHCEIKGNTQ-NVXWUHKLSA-N 2 1 334.464 1.938 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999505476 707002711 /nfs/dbraw/zinc/00/27/11/707002711.db2.gz JOJKPMWNQGMDET-JCYILVPMSA-N 2 1 347.507 1.762 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(C)nn2)C1 ZINC000999507381 707004849 /nfs/dbraw/zinc/00/48/49/707004849.db2.gz YTMDEZTZXLTWGJ-PREGVCBESA-N 2 1 348.495 1.157 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999573015 707079185 /nfs/dbraw/zinc/07/91/85/707079185.db2.gz HKBZBVKXHWJADJ-GDBMZVCRSA-N 2 1 335.452 1.271 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999573015 707079189 /nfs/dbraw/zinc/07/91/89/707079189.db2.gz HKBZBVKXHWJADJ-GDBMZVCRSA-N 2 1 335.452 1.271 20 0 EDADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)c1ncccn1 ZINC000999597919 707100583 /nfs/dbraw/zinc/10/05/83/707100583.db2.gz RZORDUXBMKJCSC-HOTGVXAUSA-N 2 1 343.475 1.747 20 0 EDADMP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697757 707154976 /nfs/dbraw/zinc/15/49/76/707154976.db2.gz XZCUZABCQSUKMU-YSHGAJCASA-N 2 1 349.519 1.412 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CCF)C[C@H]3CC1)C2 ZINC000946780057 707247200 /nfs/dbraw/zinc/24/72/00/707247200.db2.gz YHWJCEXFNYPNDM-ZACQAIPSSA-N 2 1 348.466 1.894 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@H+](CCF)C[C@H]3CC1)C2 ZINC000946780057 707247203 /nfs/dbraw/zinc/24/72/03/707247203.db2.gz YHWJCEXFNYPNDM-ZACQAIPSSA-N 2 1 348.466 1.894 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2nccnc2C)C1 ZINC000999723717 707264110 /nfs/dbraw/zinc/26/41/10/707264110.db2.gz GWOHSQYRZBEOCM-OAHLLOKOSA-N 2 1 328.420 1.071 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999729465 707272733 /nfs/dbraw/zinc/27/27/33/707272733.db2.gz VMAMRFCIDQYYGF-QZTJIDSGSA-N 2 1 342.443 1.506 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000999733005 707278234 /nfs/dbraw/zinc/27/82/34/707278234.db2.gz SDXLCWZOIWWNBF-JKSUJKDBSA-N 2 1 346.475 1.379 20 0 EDADMP Cc1csc(CN[C@H]2CCCN(C(=O)CCc3nccn3C)C2)n1 ZINC000999778283 707339281 /nfs/dbraw/zinc/33/92/81/707339281.db2.gz XBXVEODDVJBHAV-AWEZNQCLSA-N 2 1 347.488 1.898 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033184897 707367511 /nfs/dbraw/zinc/36/75/11/707367511.db2.gz LRAJGWOEBQEQAQ-FHLIZLRMSA-N 2 1 346.475 1.142 20 0 EDADMP COc1ccc(F)cc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999831896 707462133 /nfs/dbraw/zinc/46/21/33/707462133.db2.gz NGTZWPRQCPVCDH-NVPAJSRCSA-N 2 1 349.450 1.865 20 0 EDADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cnon4)C[C@H]3CC2)CC1 ZINC000946758100 707560434 /nfs/dbraw/zinc/56/04/34/707560434.db2.gz BBSCMNORKIACMA-IYBDPMFKSA-N 2 1 347.463 1.082 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCc3ccnn3C)C2)CC[N@H+]1C ZINC001033358892 707683672 /nfs/dbraw/zinc/68/36/72/707683672.db2.gz RGHSQCNXBDUUNZ-BQFCYCMXSA-N 2 1 347.507 1.226 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCc3ccnn3C)C2)CC[NH+]1C ZINC001033358892 707683675 /nfs/dbraw/zinc/68/36/75/707683675.db2.gz RGHSQCNXBDUUNZ-BQFCYCMXSA-N 2 1 347.507 1.226 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCc3ccnn3C)C2)CC[NH+]1C ZINC001033358892 707683678 /nfs/dbraw/zinc/68/36/78/707683678.db2.gz RGHSQCNXBDUUNZ-BQFCYCMXSA-N 2 1 347.507 1.226 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccnc3)C2)C1 ZINC000999999918 707683980 /nfs/dbraw/zinc/68/39/80/707683980.db2.gz OWESVANHIVOGLH-ROUUACIJSA-N 2 1 346.475 1.271 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccnc3)C2)C1 ZINC000999999918 707683983 /nfs/dbraw/zinc/68/39/83/707683983.db2.gz OWESVANHIVOGLH-ROUUACIJSA-N 2 1 346.475 1.271 20 0 EDADMP Cc1cc(NC[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nc(C)[nH+]1 ZINC001060903128 707717566 /nfs/dbraw/zinc/71/75/66/707717566.db2.gz WPBPCJNWROMUOP-NVXWUHKLSA-N 2 1 333.480 1.940 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921690445 707720455 /nfs/dbraw/zinc/72/04/55/707720455.db2.gz MPBQRVBRTZBYES-QGZVFWFLSA-N 2 1 333.480 1.360 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921690445 707720458 /nfs/dbraw/zinc/72/04/58/707720458.db2.gz MPBQRVBRTZBYES-QGZVFWFLSA-N 2 1 333.480 1.360 20 0 EDADMP Cc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033417908 707801354 /nfs/dbraw/zinc/80/13/54/707801354.db2.gz XPBBJQMOWHUVSH-QAPCUYQASA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033417908 707801355 /nfs/dbraw/zinc/80/13/55/707801355.db2.gz XPBBJQMOWHUVSH-QAPCUYQASA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033417908 707801359 /nfs/dbraw/zinc/80/13/59/707801359.db2.gz XPBBJQMOWHUVSH-QAPCUYQASA-N 2 1 330.476 1.907 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]cnc1C)C1CCCC1 ZINC001032754870 707837050 /nfs/dbraw/zinc/83/70/50/707837050.db2.gz UCBZQYBYUQYACY-BQFCYCMXSA-N 2 1 346.475 1.751 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033474046 707962736 /nfs/dbraw/zinc/96/27/36/707962736.db2.gz FCTAIAQRLPVSOU-SFHVURJKSA-N 2 1 347.507 1.493 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001001278499 708122876 /nfs/dbraw/zinc/12/28/76/708122876.db2.gz MAAKBCTYEVZECC-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001001278499 708122877 /nfs/dbraw/zinc/12/28/77/708122877.db2.gz MAAKBCTYEVZECC-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005210563 708236709 /nfs/dbraw/zinc/23/67/09/708236709.db2.gz WHLDLTSWSWBHIH-QGZVFWFLSA-N 2 1 337.508 1.676 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005210563 708236712 /nfs/dbraw/zinc/23/67/12/708236712.db2.gz WHLDLTSWSWBHIH-QGZVFWFLSA-N 2 1 337.508 1.676 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CC[NH+](C[C@H](C)OC)CC2)C1 ZINC001001751919 708274221 /nfs/dbraw/zinc/27/42/21/708274221.db2.gz ORWVGBYGIBFZAY-WMZOPIPTSA-N 2 1 339.524 1.972 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001033591336 708289001 /nfs/dbraw/zinc/28/90/01/708289001.db2.gz AWFGDOUTWKCKPH-IRXDYDNUSA-N 2 1 335.492 1.432 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001033592890 708292157 /nfs/dbraw/zinc/29/21/57/708292157.db2.gz JAIRJVIOPXJDAM-KRWDZBQOSA-N 2 1 343.471 1.694 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594930 708297339 /nfs/dbraw/zinc/29/73/39/708297339.db2.gz SVHMYHCAXULKOB-HNNXBMFYSA-N 2 1 332.448 1.420 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594930 708297342 /nfs/dbraw/zinc/29/73/42/708297342.db2.gz SVHMYHCAXULKOB-HNNXBMFYSA-N 2 1 332.448 1.420 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001033584948 708312189 /nfs/dbraw/zinc/31/21/89/708312189.db2.gz CLFSPGQJHVBXLV-HZPDHXFCSA-N 2 1 346.475 1.721 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001033584948 708312194 /nfs/dbraw/zinc/31/21/94/708312194.db2.gz CLFSPGQJHVBXLV-HZPDHXFCSA-N 2 1 346.475 1.721 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CCOC2CCC2)CC1 ZINC001001833417 708359388 /nfs/dbraw/zinc/35/93/88/708359388.db2.gz MAULWTDXWRXOCP-YJBOKZPZSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1nsc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033665814 708449754 /nfs/dbraw/zinc/44/97/54/708449754.db2.gz RRKIDQSSRBYWTP-LSDHHAIUSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033665814 708449755 /nfs/dbraw/zinc/44/97/55/708449755.db2.gz RRKIDQSSRBYWTP-LSDHHAIUSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033665814 708449757 /nfs/dbraw/zinc/44/97/57/708449757.db2.gz RRKIDQSSRBYWTP-LSDHHAIUSA-N 2 1 336.505 1.744 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3C)C2)C1 ZINC001033672535 708464537 /nfs/dbraw/zinc/46/45/37/708464537.db2.gz PTABGFUQABBUIK-RTBURBONSA-N 2 1 345.487 1.748 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3C)C2)C1 ZINC001033672535 708464538 /nfs/dbraw/zinc/46/45/38/708464538.db2.gz PTABGFUQABBUIK-RTBURBONSA-N 2 1 345.487 1.748 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C)C2)C1 ZINC001033672535 708464541 /nfs/dbraw/zinc/46/45/41/708464541.db2.gz PTABGFUQABBUIK-RTBURBONSA-N 2 1 345.487 1.748 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C)C2)C1 ZINC001033672535 708464543 /nfs/dbraw/zinc/46/45/43/708464543.db2.gz PTABGFUQABBUIK-RTBURBONSA-N 2 1 345.487 1.748 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cccc(C)c3)C2)C1 ZINC001033673255 708465703 /nfs/dbraw/zinc/46/57/03/708465703.db2.gz WHOZCTPPCGJKRK-RTBURBONSA-N 2 1 345.487 1.748 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cccc(C)c3)C2)C1 ZINC001033673255 708465706 /nfs/dbraw/zinc/46/57/06/708465706.db2.gz WHOZCTPPCGJKRK-RTBURBONSA-N 2 1 345.487 1.748 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)C1 ZINC001033673255 708465707 /nfs/dbraw/zinc/46/57/07/708465707.db2.gz WHOZCTPPCGJKRK-RTBURBONSA-N 2 1 345.487 1.748 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cccc(C)c3)C2)C1 ZINC001033673255 708465708 /nfs/dbraw/zinc/46/57/08/708465708.db2.gz WHOZCTPPCGJKRK-RTBURBONSA-N 2 1 345.487 1.748 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033684062 708496315 /nfs/dbraw/zinc/49/63/15/708496315.db2.gz CGQSRIDFXIWWBD-QZTJIDSGSA-N 2 1 347.507 1.370 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001033684062 708496318 /nfs/dbraw/zinc/49/63/18/708496318.db2.gz CGQSRIDFXIWWBD-QZTJIDSGSA-N 2 1 347.507 1.370 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001033684062 708496321 /nfs/dbraw/zinc/49/63/21/708496321.db2.gz CGQSRIDFXIWWBD-QZTJIDSGSA-N 2 1 347.507 1.370 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CCC[C@H]3CCOC3)CC2)C1 ZINC001002128813 708645526 /nfs/dbraw/zinc/64/55/26/708645526.db2.gz ZQFFZIUYVJJVFW-ZWKOTPCHSA-N 2 1 337.508 1.583 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cc(C)ns2)C1 ZINC001033777321 708705216 /nfs/dbraw/zinc/70/52/16/708705216.db2.gz UXRHRZXENLPLMS-GDBMZVCRSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cc(C)ns2)C1 ZINC001033777321 708705218 /nfs/dbraw/zinc/70/52/18/708705218.db2.gz UXRHRZXENLPLMS-GDBMZVCRSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cc(C)ns2)C1 ZINC001033777321 708705220 /nfs/dbraw/zinc/70/52/20/708705220.db2.gz UXRHRZXENLPLMS-GDBMZVCRSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cc(C)ns2)C1 ZINC001033777321 708705222 /nfs/dbraw/zinc/70/52/22/708705222.db2.gz UXRHRZXENLPLMS-GDBMZVCRSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC001033830312 708851794 /nfs/dbraw/zinc/85/17/94/708851794.db2.gz HDTFWKOMPCPCJX-NVXWUHKLSA-N 2 1 348.516 1.908 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001033830312 708851797 /nfs/dbraw/zinc/85/17/97/708851797.db2.gz HDTFWKOMPCPCJX-NVXWUHKLSA-N 2 1 348.516 1.908 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001033830651 708852898 /nfs/dbraw/zinc/85/28/98/708852898.db2.gz MKMARVKWIAVPOQ-FUHWJXTLSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001033830651 708852903 /nfs/dbraw/zinc/85/29/03/708852903.db2.gz MKMARVKWIAVPOQ-FUHWJXTLSA-N 2 1 346.475 1.748 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001016307938 708995307 /nfs/dbraw/zinc/99/53/07/708995307.db2.gz XBJHUXTYLKKTJE-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001016307938 708995310 /nfs/dbraw/zinc/99/53/10/708995310.db2.gz XBJHUXTYLKKTJE-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001016307938 708995313 /nfs/dbraw/zinc/99/53/13/708995313.db2.gz XBJHUXTYLKKTJE-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001016307938 708995316 /nfs/dbraw/zinc/99/53/16/708995316.db2.gz XBJHUXTYLKKTJE-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)cc1C ZINC001002537364 709094264 /nfs/dbraw/zinc/09/42/64/709094264.db2.gz WMCSFAMFCYTFBE-LJQANCHMSA-N 2 1 345.487 1.715 20 0 EDADMP Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)cc1C ZINC001002537364 709094268 /nfs/dbraw/zinc/09/42/68/709094268.db2.gz WMCSFAMFCYTFBE-LJQANCHMSA-N 2 1 345.487 1.715 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005474215 709110279 /nfs/dbraw/zinc/11/02/79/709110279.db2.gz AKXMDBGIAKEDAX-FUHWJXTLSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001005474329 709110488 /nfs/dbraw/zinc/11/04/88/709110488.db2.gz BSFSYZKZCLVWPR-SFHVURJKSA-N 2 1 347.507 1.680 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001033940897 709146762 /nfs/dbraw/zinc/14/67/62/709146762.db2.gz KSGCVBZDWJFMGH-KRWDZBQOSA-N 2 1 334.464 1.748 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001033940897 709146765 /nfs/dbraw/zinc/14/67/65/709146765.db2.gz KSGCVBZDWJFMGH-KRWDZBQOSA-N 2 1 334.464 1.748 20 0 EDADMP CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001034014282 709224132 /nfs/dbraw/zinc/22/41/32/709224132.db2.gz AQOTVEMTBQCUGB-SFHVURJKSA-N 2 1 337.508 1.414 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001034012007 709224926 /nfs/dbraw/zinc/22/49/26/709224926.db2.gz BMGKQZHALPUILQ-QGZVFWFLSA-N 2 1 346.450 1.739 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001034012007 709224927 /nfs/dbraw/zinc/22/49/27/709224927.db2.gz BMGKQZHALPUILQ-QGZVFWFLSA-N 2 1 346.450 1.739 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2cc(C)ns2)C1 ZINC001034014684 709229765 /nfs/dbraw/zinc/22/97/65/709229765.db2.gz CBXIQBUYDZBQHG-OAHLLOKOSA-N 2 1 348.516 1.970 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2cc(C)ns2)C1 ZINC001034014684 709229766 /nfs/dbraw/zinc/22/97/66/709229766.db2.gz CBXIQBUYDZBQHG-OAHLLOKOSA-N 2 1 348.516 1.970 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001034014745 709230489 /nfs/dbraw/zinc/23/04/89/709230489.db2.gz CROSYCVQEOUXNH-ZWKOTPCHSA-N 2 1 349.519 1.822 20 0 EDADMP COC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001005498581 709259094 /nfs/dbraw/zinc/25/90/94/709259094.db2.gz WCEVACCRQUJENX-HOCLYGCPSA-N 2 1 334.464 1.718 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CCC[C@H]3CCOC3)C2)CC[N@H+]1C ZINC001032830288 709466942 /nfs/dbraw/zinc/46/69/42/709466942.db2.gz PSIKCMZBYFKKCQ-XSLAGTTESA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](CCC[C@H]3CCOC3)C2)CC[NH+]1C ZINC001032830288 709466944 /nfs/dbraw/zinc/46/69/44/709466944.db2.gz PSIKCMZBYFKKCQ-XSLAGTTESA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC[C@H]3CCOC3)C2)CC[NH+]1C ZINC001032830288 709466946 /nfs/dbraw/zinc/46/69/46/709466946.db2.gz PSIKCMZBYFKKCQ-XSLAGTTESA-N 2 1 337.508 1.724 20 0 EDADMP Cn1cncc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034206936 709554097 /nfs/dbraw/zinc/55/40/97/709554097.db2.gz HLIQMKISHDZJKH-SJLPKXTDSA-N 2 1 345.491 1.233 20 0 EDADMP Cn1cncc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034206936 709554103 /nfs/dbraw/zinc/55/41/03/709554103.db2.gz HLIQMKISHDZJKH-SJLPKXTDSA-N 2 1 345.491 1.233 20 0 EDADMP CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001034208258 709556927 /nfs/dbraw/zinc/55/69/27/709556927.db2.gz AHTKJQBUXOXHFW-KURKYZTESA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCCC[N@@H+](CCCF)C2)n1 ZINC001034210519 709561183 /nfs/dbraw/zinc/56/11/83/709561183.db2.gz PRWJLQGTOGWSIF-HNNXBMFYSA-N 2 1 339.459 1.389 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cnn(C)c3)C2)CC[N@H+]1C ZINC001034218037 709574114 /nfs/dbraw/zinc/57/41/14/709574114.db2.gz YBRHDHYFPZWSNQ-OKZBNKHCSA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cnn(C)c3)C2)CC[NH+]1C ZINC001034218037 709574119 /nfs/dbraw/zinc/57/41/19/709574119.db2.gz YBRHDHYFPZWSNQ-OKZBNKHCSA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cnn(C)c3)C2)CC[NH+]1C ZINC001034218037 709574123 /nfs/dbraw/zinc/57/41/23/709574123.db2.gz YBRHDHYFPZWSNQ-OKZBNKHCSA-N 2 1 347.507 1.621 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCCC[N@H+](CCO)C1 ZINC001034229889 709586268 /nfs/dbraw/zinc/58/62/68/709586268.db2.gz XAKIGHRLECRSHO-AWEZNQCLSA-N 2 1 325.478 1.386 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCCC[N@@H+](CCO)C1 ZINC001034229889 709586269 /nfs/dbraw/zinc/58/62/69/709586269.db2.gz XAKIGHRLECRSHO-AWEZNQCLSA-N 2 1 325.478 1.386 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001002954554 709654103 /nfs/dbraw/zinc/65/41/03/709654103.db2.gz DHYFQDYRDKXCGU-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC001061214320 709739225 /nfs/dbraw/zinc/73/92/25/709739225.db2.gz NVXIQGQSHBNGHV-CVEARBPZSA-N 2 1 331.464 1.472 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC001061214320 709739226 /nfs/dbraw/zinc/73/92/26/709739226.db2.gz NVXIQGQSHBNGHV-CVEARBPZSA-N 2 1 331.464 1.472 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CC3)C2)C1 ZINC001034362276 709878022 /nfs/dbraw/zinc/87/80/22/709878022.db2.gz DYKWQXKCHJIFMI-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CC3)C2)C1 ZINC001034362276 709878027 /nfs/dbraw/zinc/87/80/27/709878027.db2.gz DYKWQXKCHJIFMI-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCC3CC3)C2)C1 ZINC001034362276 709878031 /nfs/dbraw/zinc/87/80/31/709878031.db2.gz DYKWQXKCHJIFMI-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC3CC3)C2)C1 ZINC001034362276 709878035 /nfs/dbraw/zinc/87/80/35/709878035.db2.gz DYKWQXKCHJIFMI-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CCC3)C2)C1 ZINC001034363576 709882175 /nfs/dbraw/zinc/88/21/75/709882175.db2.gz OYJCNFGSRNFIPS-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CCC3)C2)C1 ZINC001034363576 709882180 /nfs/dbraw/zinc/88/21/80/709882180.db2.gz OYJCNFGSRNFIPS-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC3CCC3)C2)C1 ZINC001034363576 709882184 /nfs/dbraw/zinc/88/21/84/709882184.db2.gz OYJCNFGSRNFIPS-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CCC3)C2)C1 ZINC001034363576 709882189 /nfs/dbraw/zinc/88/21/89/709882189.db2.gz OYJCNFGSRNFIPS-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CCc3cnn(C)c3)C2)C1 ZINC001034394149 709930212 /nfs/dbraw/zinc/93/02/12/709930212.db2.gz JRIPZQIIOPYQFB-FUHWJXTLSA-N 2 1 347.507 1.275 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CCc3cnn(C)c3)C2)C1 ZINC001034394149 709930215 /nfs/dbraw/zinc/93/02/15/709930215.db2.gz JRIPZQIIOPYQFB-FUHWJXTLSA-N 2 1 347.507 1.275 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CCc3cnn(C)c3)C2)C1 ZINC001034394149 709930218 /nfs/dbraw/zinc/93/02/18/709930218.db2.gz JRIPZQIIOPYQFB-FUHWJXTLSA-N 2 1 347.507 1.275 20 0 EDADMP C[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444702 709988487 /nfs/dbraw/zinc/98/84/87/709988487.db2.gz JZCZNIJLWACHGJ-PBHICJAKSA-N 2 1 346.475 1.206 20 0 EDADMP C[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444702 709988491 /nfs/dbraw/zinc/98/84/91/709988491.db2.gz JZCZNIJLWACHGJ-PBHICJAKSA-N 2 1 346.475 1.206 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3cnn(C)c3)C2)CC1 ZINC001034454491 710063299 /nfs/dbraw/zinc/06/32/99/710063299.db2.gz LUKDSSFYXJVGHF-GOSISDBHSA-N 2 1 347.507 1.623 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001003160591 710070075 /nfs/dbraw/zinc/07/00/75/710070075.db2.gz RJFTWFXRQZBKKP-MRXNPFEDSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nccnc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034489656 710107681 /nfs/dbraw/zinc/10/76/81/710107681.db2.gz HQSDNLXGRPNTKP-IRXDYDNUSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034489656 710107683 /nfs/dbraw/zinc/10/76/83/710107683.db2.gz HQSDNLXGRPNTKP-IRXDYDNUSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034489656 710107685 /nfs/dbraw/zinc/10/76/85/710107685.db2.gz HQSDNLXGRPNTKP-IRXDYDNUSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034489662 710107699 /nfs/dbraw/zinc/10/76/99/710107699.db2.gz HQSDNLXGRPNTKP-SJORKVTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034489662 710107701 /nfs/dbraw/zinc/10/77/01/710107701.db2.gz HQSDNLXGRPNTKP-SJORKVTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034489662 710107703 /nfs/dbraw/zinc/10/77/03/710107703.db2.gz HQSDNLXGRPNTKP-SJORKVTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](CC[C@H]2CCCO2)C1 ZINC001034526657 710179334 /nfs/dbraw/zinc/17/93/34/710179334.db2.gz AWSPYWURDXHTSP-IAGOWNOFSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001034526657 710179337 /nfs/dbraw/zinc/17/93/37/710179337.db2.gz AWSPYWURDXHTSP-IAGOWNOFSA-N 2 1 334.464 1.731 20 0 EDADMP CC[C@H](C[NH+]1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1)OC ZINC001003319408 710248017 /nfs/dbraw/zinc/24/80/17/710248017.db2.gz ZFLXZUQBNAACPT-MRXNPFEDSA-N 2 1 348.491 1.768 20 0 EDADMP COc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001034610786 710284849 /nfs/dbraw/zinc/28/48/49/710284849.db2.gz FBMUZWNPMITSJM-ULQDDVLXSA-N 2 1 346.475 1.701 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001034611606 710286237 /nfs/dbraw/zinc/28/62/37/710286237.db2.gz MDRHPSXPDFEYHG-RBSFLKMASA-N 2 1 349.479 1.804 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001034611606 710286240 /nfs/dbraw/zinc/28/62/40/710286240.db2.gz MDRHPSXPDFEYHG-RBSFLKMASA-N 2 1 349.479 1.804 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001034648978 710325535 /nfs/dbraw/zinc/32/55/35/710325535.db2.gz ZBDGXWXTRGGROL-CCECPURYSA-N 2 1 349.479 1.796 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001034648978 710325536 /nfs/dbraw/zinc/32/55/36/710325536.db2.gz ZBDGXWXTRGGROL-CCECPURYSA-N 2 1 349.479 1.796 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC[C@H](C)F)CC2)C1 ZINC001003494370 710380045 /nfs/dbraw/zinc/38/00/45/710380045.db2.gz BSGWULQJWSKUGQ-GOEBONIOSA-N 2 1 329.460 1.424 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC[C@H](C)F)CC2)C1 ZINC001003494370 710380047 /nfs/dbraw/zinc/38/00/47/710380047.db2.gz BSGWULQJWSKUGQ-GOEBONIOSA-N 2 1 329.460 1.424 20 0 EDADMP Cc1nnc([C@H](C)N2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC001003508947 710390051 /nfs/dbraw/zinc/39/00/51/710390051.db2.gz VNZBSDHJOUISBR-YDHLFZDLSA-N 2 1 349.479 1.750 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001003628670 710458533 /nfs/dbraw/zinc/45/85/33/710458533.db2.gz SNWIOTMJFUJEQE-RDTXWAMCSA-N 2 1 343.487 1.814 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001003629640 710459365 /nfs/dbraw/zinc/45/93/65/710459365.db2.gz DAKPTJRITHEFOY-HIFRSBDPSA-N 2 1 334.464 1.369 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CCC[C@@H]3CCOC3)CC2)C1 ZINC001003631134 710460251 /nfs/dbraw/zinc/46/02/51/710460251.db2.gz RKFLATWWRKMINZ-IAGOWNOFSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1ncccc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003633235 710461229 /nfs/dbraw/zinc/46/12/29/710461229.db2.gz CRNVLZIQXFEYMC-KDOFPFPSSA-N 2 1 330.476 1.668 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003633761 710462023 /nfs/dbraw/zinc/46/20/23/710462023.db2.gz HRQRJXUXTBPABT-CXAGYDPISA-N 2 1 333.480 1.007 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003739400 710519771 /nfs/dbraw/zinc/51/97/71/710519771.db2.gz CQSRTSJFSWNJSY-WBVHZDCISA-N 2 1 325.497 1.865 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034659703 710589076 /nfs/dbraw/zinc/58/90/76/710589076.db2.gz YBNJKBLENMHFPU-BQFCYCMXSA-N 2 1 347.507 1.812 20 0 EDADMP Cc1nc(CN2CCC(N(C)C(=O)[C@@H]3CCCCN3C)CC2)co1 ZINC001005591169 710647325 /nfs/dbraw/zinc/64/73/25/710647325.db2.gz FPVBMTQBFGAFRJ-KRWDZBQOSA-N 2 1 334.464 1.890 20 0 EDADMP Cc1oncc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001005591912 710650005 /nfs/dbraw/zinc/65/00/05/710650005.db2.gz JFNAFEVVIGHGRV-KRWDZBQOSA-N 2 1 334.464 1.890 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001034734278 710915346 /nfs/dbraw/zinc/91/53/46/710915346.db2.gz LZFKQBJHHXXZTP-KBRIMQKVSA-N 2 1 334.464 1.842 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001034737555 710950379 /nfs/dbraw/zinc/95/03/79/710950379.db2.gz MLIZVWQDHSIZRF-IXYNUQLISA-N 2 1 336.505 1.858 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)nn1C ZINC001034737794 710950992 /nfs/dbraw/zinc/95/09/92/710950992.db2.gz MVXPDLFBIJQLSH-IIVZCXTMSA-N 2 1 347.507 1.443 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC001034738185 710952781 /nfs/dbraw/zinc/95/27/81/710952781.db2.gz QSXPTEPFLQJDMS-KCYZZUKISA-N 2 1 348.491 1.952 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1 ZINC001034738589 710954468 /nfs/dbraw/zinc/95/44/68/710954468.db2.gz ULEGIPCXSWYNRA-KBUPBQIOSA-N 2 1 336.505 1.858 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(N)=O)CC1 ZINC001034749247 710956602 /nfs/dbraw/zinc/95/66/02/710956602.db2.gz IXWXCPKXPPZOBU-VGWMRTNUSA-N 2 1 338.496 1.140 20 0 EDADMP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034779087 711083123 /nfs/dbraw/zinc/08/31/23/711083123.db2.gz OVOFERDPNLJMOG-BZUAXINKSA-N 2 1 348.495 1.157 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003966430 711103904 /nfs/dbraw/zinc/10/39/04/711103904.db2.gz BNPSJWBVYJQTFR-INIZCTEOSA-N 2 1 330.476 1.812 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034796795 711129431 /nfs/dbraw/zinc/12/94/31/711129431.db2.gz NFNOKYQOEBPVFM-BZSNNMDCSA-N 2 1 347.507 1.812 20 0 EDADMP Cc1nnc(CNCc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)o1 ZINC001034831356 711237376 /nfs/dbraw/zinc/23/73/76/711237376.db2.gz PXHIHFWUYGVJBB-MRXNPFEDSA-N 2 1 343.431 1.236 20 0 EDADMP CN(C)c1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001034881286 711281591 /nfs/dbraw/zinc/28/15/91/711281591.db2.gz GQFFYVPFIWKWKT-IEBWSBKVSA-N 2 1 344.503 1.927 20 0 EDADMP Cc1nccnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001034934879 711361660 /nfs/dbraw/zinc/36/16/60/711361660.db2.gz XMFVFQXVRFKRSN-AEFFLSMTSA-N 2 1 345.491 1.738 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncc(C3CC3)o2)CC[N@@H+]1C ZINC001034939523 711442255 /nfs/dbraw/zinc/44/22/55/711442255.db2.gz FCEJJBPDMJOPDK-FVQBIDKESA-N 2 1 346.475 1.973 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncc(C3CC3)o2)CC[N@H+]1C ZINC001034939523 711442256 /nfs/dbraw/zinc/44/22/56/711442256.db2.gz FCEJJBPDMJOPDK-FVQBIDKESA-N 2 1 346.475 1.973 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cncc(F)c2)CC[N@H+]1C ZINC001034939642 711442331 /nfs/dbraw/zinc/44/23/31/711442331.db2.gz IWKVJJZPKHBZPP-KBRIMQKVSA-N 2 1 334.439 1.642 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)C1 ZINC001004143756 711544308 /nfs/dbraw/zinc/54/43/08/711544308.db2.gz ORXIGJZYWPMJLV-PKOBYXMFSA-N 2 1 345.487 1.122 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(F)ccc3F)CC2)C1 ZINC001004146635 711557601 /nfs/dbraw/zinc/55/76/01/711557601.db2.gz ZCUBGHDGGCEEHS-ZDUSSCGKSA-N 2 1 337.414 1.997 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(F)ccc3F)CC2)C1 ZINC001004146635 711557604 /nfs/dbraw/zinc/55/76/04/711557604.db2.gz ZCUBGHDGGCEEHS-ZDUSSCGKSA-N 2 1 337.414 1.997 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC001004150333 711565722 /nfs/dbraw/zinc/56/57/22/711565722.db2.gz RDPKMQKGOLHQBG-INIZCTEOSA-N 2 1 347.507 1.670 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC001004150333 711565724 /nfs/dbraw/zinc/56/57/24/711565724.db2.gz RDPKMQKGOLHQBG-INIZCTEOSA-N 2 1 347.507 1.670 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3cnccc3C)CC2)C1 ZINC001004186509 711638459 /nfs/dbraw/zinc/63/84/59/711638459.db2.gz VKFSDIZBNVAWAO-SFHVURJKSA-N 2 1 346.475 1.191 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3cnccc3C)CC2)C1 ZINC001004186509 711638462 /nfs/dbraw/zinc/63/84/62/711638462.db2.gz VKFSDIZBNVAWAO-SFHVURJKSA-N 2 1 346.475 1.191 20 0 EDADMP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004546062 711957044 /nfs/dbraw/zinc/95/70/44/711957044.db2.gz FWSNAXANPNDHHI-AEFFLSMTSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001004546062 711957046 /nfs/dbraw/zinc/95/70/46/711957046.db2.gz FWSNAXANPNDHHI-AEFFLSMTSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001004546062 711957047 /nfs/dbraw/zinc/95/70/47/711957047.db2.gz FWSNAXANPNDHHI-AEFFLSMTSA-N 2 1 337.508 1.820 20 0 EDADMP CO[C@@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608417 712061120 /nfs/dbraw/zinc/06/11/20/712061120.db2.gz ZJJCNXKSXLJXLD-WMZOPIPTSA-N 2 1 349.519 1.820 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CCC([C@@H]2CCC[N@H+]2Cc2cnon2)CC1 ZINC001004617055 712076793 /nfs/dbraw/zinc/07/67/93/712076793.db2.gz OCBNOZPPYMGJDA-KRWDZBQOSA-N 2 1 347.463 1.368 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@H]2CCC[N@H+]2C[C@H](C)O)CC1 ZINC001004618997 712079676 /nfs/dbraw/zinc/07/96/76/712079676.db2.gz ZBSFBBYOXUPJFV-WMLDXEAASA-N 2 1 334.464 1.275 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@H]2CCC[N@@H+]2C[C@H](C)O)CC1 ZINC001004618997 712079678 /nfs/dbraw/zinc/07/96/78/712079678.db2.gz ZBSFBBYOXUPJFV-WMLDXEAASA-N 2 1 334.464 1.275 20 0 EDADMP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033153506 712176133 /nfs/dbraw/zinc/17/61/33/712176133.db2.gz VUQUICLIYUJWHD-IAGOWNOFSA-N 2 1 346.475 1.720 20 0 EDADMP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033153506 712176135 /nfs/dbraw/zinc/17/61/35/712176135.db2.gz VUQUICLIYUJWHD-IAGOWNOFSA-N 2 1 346.475 1.720 20 0 EDADMP CC(C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]2C1 ZINC000946652034 712202846 /nfs/dbraw/zinc/20/28/46/712202846.db2.gz LBACWHPNAWFSQY-GASCZTMLSA-N 2 1 334.464 1.929 20 0 EDADMP CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]2C1 ZINC000946652034 712202848 /nfs/dbraw/zinc/20/28/48/712202848.db2.gz LBACWHPNAWFSQY-GASCZTMLSA-N 2 1 334.464 1.929 20 0 EDADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3nnnn3-c3ccccc3)C2)C1 ZINC000559311355 306253748 /nfs/dbraw/zinc/25/37/48/306253748.db2.gz MPSBQFNWXUEJBX-GOSISDBHSA-N 2 1 326.448 1.623 20 0 EDADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3nnnn3-c3ccccc3)C2)C1 ZINC000559311355 306253749 /nfs/dbraw/zinc/25/37/49/306253749.db2.gz MPSBQFNWXUEJBX-GOSISDBHSA-N 2 1 326.448 1.623 20 0 EDADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3nnnn3-c3ccccc3)C2)C1 ZINC000559311355 306253750 /nfs/dbraw/zinc/25/37/50/306253750.db2.gz MPSBQFNWXUEJBX-GOSISDBHSA-N 2 1 326.448 1.623 20 0 EDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3nnnn3-c3ccccc3)C2)C1 ZINC000559311355 306253751 /nfs/dbraw/zinc/25/37/51/306253751.db2.gz MPSBQFNWXUEJBX-GOSISDBHSA-N 2 1 326.448 1.623 20 0 EDADMP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccccn1)[NH+]1CCSCC1 ZINC000344142645 295712497 /nfs/dbraw/zinc/71/24/97/295712497.db2.gz NRUXKBOPCBHAGE-HNNXBMFYSA-N 2 1 336.505 1.409 20 0 EDADMP CN(c1ccccc1C[N@H+](C)CC(=O)NC1CC1)C1CC[NH+](C)CC1 ZINC000120349439 282353066 /nfs/dbraw/zinc/35/30/66/282353066.db2.gz IDLYDJCIZKMREV-UHFFFAOYSA-N 2 1 344.503 1.927 20 0 EDADMP CN(c1ccccc1C[N@@H+](C)CC(=O)NC1CC1)C1CC[NH+](C)CC1 ZINC000120349439 282353068 /nfs/dbraw/zinc/35/30/68/282353068.db2.gz IDLYDJCIZKMREV-UHFFFAOYSA-N 2 1 344.503 1.927 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CCN2CC[NH+](CC)CC2)c1 ZINC000101652927 219152362 /nfs/dbraw/zinc/15/23/62/219152362.db2.gz RMZNTFBORMOBQS-UHFFFAOYSA-N 2 1 346.519 1.782 20 0 EDADMP CCN1CC[NH+](CCC(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000101652927 219152367 /nfs/dbraw/zinc/15/23/67/219152367.db2.gz RMZNTFBORMOBQS-UHFFFAOYSA-N 2 1 346.519 1.782 20 0 EDADMP CCN1CC[NH+](CCC(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000101652927 219152371 /nfs/dbraw/zinc/15/23/71/219152371.db2.gz RMZNTFBORMOBQS-UHFFFAOYSA-N 2 1 346.519 1.782 20 0 EDADMP c1ccc(-n2nnnc2CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000329857367 539469742 /nfs/dbraw/zinc/46/97/42/539469742.db2.gz VHYNGJGAXVWRTF-MRXNPFEDSA-N 2 1 326.448 1.623 20 0 EDADMP c1ccc(-n2nnnc2CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000329857367 539469745 /nfs/dbraw/zinc/46/97/45/539469745.db2.gz VHYNGJGAXVWRTF-MRXNPFEDSA-N 2 1 326.448 1.623 20 0 EDADMP CC[C@H](C(=O)N1CCN(c2ncc[nH]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000560418577 306268002 /nfs/dbraw/zinc/26/80/02/306268002.db2.gz YWLQVPURNXXTPB-QGZVFWFLSA-N 2 1 341.459 1.969 20 0 EDADMP CC[C@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000560418577 306268004 /nfs/dbraw/zinc/26/80/04/306268004.db2.gz YWLQVPURNXXTPB-QGZVFWFLSA-N 2 1 341.459 1.969 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000561188425 306284054 /nfs/dbraw/zinc/28/40/54/306284054.db2.gz IYPOOMHHCZWXIM-VVLHAWIVSA-N 2 1 338.496 1.399 20 0 EDADMP CC[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339066317 539700029 /nfs/dbraw/zinc/70/00/29/539700029.db2.gz HHEFJWJAMPHYRW-MOPGFXCFSA-N 2 1 343.519 1.940 20 0 EDADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339066317 539700032 /nfs/dbraw/zinc/70/00/32/539700032.db2.gz HHEFJWJAMPHYRW-MOPGFXCFSA-N 3 1 343.519 1.940 20 0 EDADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339066317 539700034 /nfs/dbraw/zinc/70/00/34/539700034.db2.gz HHEFJWJAMPHYRW-MOPGFXCFSA-N 3 1 343.519 1.940 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339070783 539700136 /nfs/dbraw/zinc/70/01/36/539700136.db2.gz OYJZSRWCQDPWKM-GJZGRUSLSA-N 2 1 338.473 1.685 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339070783 539700139 /nfs/dbraw/zinc/70/01/39/539700139.db2.gz OYJZSRWCQDPWKM-GJZGRUSLSA-N 2 1 338.473 1.685 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000339344995 539707670 /nfs/dbraw/zinc/70/76/70/539707670.db2.gz FDKQMSRZQLSLPS-INIZCTEOSA-N 2 1 325.497 1.556 20 0 EDADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000339344995 539707674 /nfs/dbraw/zinc/70/76/74/539707674.db2.gz FDKQMSRZQLSLPS-INIZCTEOSA-N 2 1 325.497 1.556 20 0 EDADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000339344995 539707678 /nfs/dbraw/zinc/70/76/78/539707678.db2.gz FDKQMSRZQLSLPS-INIZCTEOSA-N 2 1 325.497 1.556 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000342980002 539769610 /nfs/dbraw/zinc/76/96/10/539769610.db2.gz WIWDNMMZNSVFCE-JKSUJKDBSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000342993908 539773127 /nfs/dbraw/zinc/77/31/27/539773127.db2.gz UIDKOQNVRYKJFM-JYJNAYRXSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H](C)C1 ZINC000561763956 306291007 /nfs/dbraw/zinc/29/10/07/306291007.db2.gz AXTDVDCOXWCSHO-RLFYNMQTSA-N 2 1 330.476 1.951 20 0 EDADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H](C)C1 ZINC000561763956 306291008 /nfs/dbraw/zinc/29/10/08/306291008.db2.gz AXTDVDCOXWCSHO-RLFYNMQTSA-N 2 1 330.476 1.951 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000563082909 306318080 /nfs/dbraw/zinc/31/80/80/306318080.db2.gz VMDKXOJNCJIJNX-PKOBYXMFSA-N 2 1 346.519 1.886 20 0 EDADMP CC(C)(O)[C@H]1CCC[NH+]1CC1(C[N@@H+]2CCC[C@@H]2C(C)(C)O)COC1 ZINC000182355642 540132022 /nfs/dbraw/zinc/13/20/22/540132022.db2.gz DBNHFLRNNVGKDA-HZPDHXFCSA-N 2 1 340.508 1.474 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)[C@@H]1c1cccs1 ZINC000374591683 283114273 /nfs/dbraw/zinc/11/42/73/283114273.db2.gz HKUFPNRLHMDALM-FVQBIDKESA-N 2 1 337.489 1.611 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000369648962 283162241 /nfs/dbraw/zinc/16/22/41/283162241.db2.gz OYKBIMIKUGZTPX-AEFFLSMTSA-N 2 1 334.508 1.987 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000563590396 306340377 /nfs/dbraw/zinc/34/03/77/306340377.db2.gz DOEBWCTUNOECLR-IRXDYDNUSA-N 2 1 332.448 1.020 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](n3cccn3)C2)CC1 ZINC000114456266 138310339 /nfs/dbraw/zinc/31/03/39/138310339.db2.gz HHENEFKJRCCUBJ-QGZVFWFLSA-N 2 1 333.480 1.509 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](n3cccn3)C2)CC1 ZINC000114456266 138310340 /nfs/dbraw/zinc/31/03/40/138310340.db2.gz HHENEFKJRCCUBJ-QGZVFWFLSA-N 2 1 333.480 1.509 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000563586533 306340167 /nfs/dbraw/zinc/34/01/67/306340167.db2.gz QCIZBDLBJRZLIR-JKSUJKDBSA-N 2 1 326.485 1.175 20 0 EDADMP COC(=O)C1CC[NH+](CC(C)C[NH+]2CCC(C(=O)OC)CC2)CC1 ZINC000123672073 138320365 /nfs/dbraw/zinc/32/03/65/138320365.db2.gz BHXUIBMXERROEW-UHFFFAOYSA-N 2 1 340.464 1.393 20 0 EDADMP [NH3+][C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000563595109 306340685 /nfs/dbraw/zinc/34/06/85/306340685.db2.gz RPOQRNOELILMIC-QZTJIDSGSA-N 2 1 346.475 1.410 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000126159774 138337406 /nfs/dbraw/zinc/33/74/06/138337406.db2.gz DZNIXURGDQDAAC-KXBFYZLASA-N 2 1 345.487 1.816 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000131746513 138365178 /nfs/dbraw/zinc/36/51/78/138365178.db2.gz OUKIKBLDGFIJBW-ZWKOTPCHSA-N 2 1 331.460 1.344 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000131746513 138365179 /nfs/dbraw/zinc/36/51/79/138365179.db2.gz OUKIKBLDGFIJBW-ZWKOTPCHSA-N 2 1 331.460 1.344 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000132354972 138375188 /nfs/dbraw/zinc/37/51/88/138375188.db2.gz LOIIIUYROUWJOT-UHFFFAOYSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000132353587 138375401 /nfs/dbraw/zinc/37/54/01/138375401.db2.gz CMPHROBTORCCEC-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000133580008 138395845 /nfs/dbraw/zinc/39/58/45/138395845.db2.gz YOBJCFPJSFOHRG-IRXDYDNUSA-N 2 1 332.496 1.061 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCO)C3CCC3)CC2)CC1 ZINC000563637467 306343340 /nfs/dbraw/zinc/34/33/40/306343340.db2.gz PWRSMDOWVUYSTD-UHFFFAOYSA-N 2 1 337.508 1.556 20 0 EDADMP COc1ccc([C@H]2[C@H](CNC(=O)NCC[NH+](C)C)CCC[N@H+]2C)cc1 ZINC000133694243 138397166 /nfs/dbraw/zinc/39/71/66/138397166.db2.gz OIPOAJPDIFXXFR-WMZOPIPTSA-N 2 1 348.491 1.939 20 0 EDADMP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000563670640 306344546 /nfs/dbraw/zinc/34/45/46/306344546.db2.gz UOEZICDQMIIUCC-KRWDZBQOSA-N 2 1 342.447 1.032 20 0 EDADMP CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000563670640 306344547 /nfs/dbraw/zinc/34/45/47/306344547.db2.gz UOEZICDQMIIUCC-KRWDZBQOSA-N 2 1 342.447 1.032 20 0 EDADMP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000494833680 283254343 /nfs/dbraw/zinc/25/43/43/283254343.db2.gz FMBKKQBWVYQXAS-GOSISDBHSA-N 2 1 338.540 1.737 20 0 EDADMP CN1CCC[C@H]1C(=O)Nc1cc(F)cc(NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000563853689 306349734 /nfs/dbraw/zinc/34/97/34/306349734.db2.gz UIZDSIAUXWYZDD-HOTGVXAUSA-N 2 1 348.422 1.891 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173922936 237268816 /nfs/dbraw/zinc/26/88/16/237268816.db2.gz RBQXVBHJJLDRPN-UHFFFAOYSA-N 2 1 333.440 1.552 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCC[NH3+])cc2)C1 ZINC000564898146 306368858 /nfs/dbraw/zinc/36/88/58/306368858.db2.gz YJNCGOWDZZICQQ-HNNXBMFYSA-N 2 1 332.448 1.451 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C[C@H]1c1cccc(F)c1 ZINC000564953101 306371286 /nfs/dbraw/zinc/37/12/86/306371286.db2.gz SHMBSJDAYLHQOZ-AEGPPILISA-N 2 1 343.406 1.193 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000130859497 223181798 /nfs/dbraw/zinc/18/17/98/223181798.db2.gz QITITWXJLHCROB-QGZVFWFLSA-N 2 1 333.501 1.816 20 0 EDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496526346 299322488 /nfs/dbraw/zinc/32/24/88/299322488.db2.gz CMPRXCWGJDDCMP-HDMKZQKVSA-N 2 1 341.496 1.821 20 0 EDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496526346 299322494 /nfs/dbraw/zinc/32/24/94/299322494.db2.gz CMPRXCWGJDDCMP-HDMKZQKVSA-N 2 1 341.496 1.821 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000565718270 306389808 /nfs/dbraw/zinc/38/98/08/306389808.db2.gz JSZFONIZHXXDAZ-IYBDPMFKSA-N 2 1 344.459 1.069 20 0 EDADMP CC[C@](C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529796 305351554 /nfs/dbraw/zinc/35/15/54/305351554.db2.gz NYYNSXJRKDCMIJ-ROUUACIJSA-N 2 1 325.497 1.414 20 0 EDADMP CC[C@](C)(O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529796 305351555 /nfs/dbraw/zinc/35/15/55/305351555.db2.gz NYYNSXJRKDCMIJ-ROUUACIJSA-N 2 1 325.497 1.414 20 0 EDADMP CC[C@](C)(O)C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529796 305351556 /nfs/dbraw/zinc/35/15/56/305351556.db2.gz NYYNSXJRKDCMIJ-ROUUACIJSA-N 2 1 325.497 1.414 20 0 EDADMP CC[C@](C)(O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529796 305351553 /nfs/dbraw/zinc/35/15/53/305351553.db2.gz NYYNSXJRKDCMIJ-ROUUACIJSA-N 2 1 325.497 1.414 20 0 EDADMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414750094 304137083 /nfs/dbraw/zinc/13/70/83/304137083.db2.gz ZIVOCFIGXYTDME-QZTJIDSGSA-N 2 1 344.503 1.785 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000414749801 304137196 /nfs/dbraw/zinc/13/71/96/304137196.db2.gz WPGIGYYZMZLZDL-HUUCEWRRSA-N 2 1 346.475 1.581 20 0 EDADMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414797929 304141987 /nfs/dbraw/zinc/14/19/87/304141987.db2.gz WXXAFMNHXKMLLD-KDOFPFPSSA-N 2 1 341.459 1.730 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000566668586 306424150 /nfs/dbraw/zinc/42/41/50/306424150.db2.gz XPAAYKQHMLRALQ-UHFFFAOYSA-N 2 1 330.432 1.863 20 0 EDADMP FC(F)n1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414989561 304148359 /nfs/dbraw/zinc/14/83/59/304148359.db2.gz QPHWIXWSDJKMNY-JTQLQIEISA-N 2 1 327.301 1.204 20 0 EDADMP Cc1ccsc1C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415132110 304162604 /nfs/dbraw/zinc/16/26/04/304162604.db2.gz AEUNWTSZCYZOSW-HUUCEWRRSA-N 2 1 334.489 1.777 20 0 EDADMP COc1cc(Br)ccc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000415144769 304164222 /nfs/dbraw/zinc/16/42/22/304164222.db2.gz VDOBQIKNXAUDOA-UHFFFAOYSA-N 2 1 329.238 1.743 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC000415152787 304166128 /nfs/dbraw/zinc/16/61/28/304166128.db2.gz SMFYQWWEZLGXJG-GJZGRUSLSA-N 2 1 346.475 1.676 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC000415152787 304166129 /nfs/dbraw/zinc/16/61/29/304166129.db2.gz SMFYQWWEZLGXJG-GJZGRUSLSA-N 2 1 346.475 1.676 20 0 EDADMP C[NH+](C)CCOCC[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000231675972 139025263 /nfs/dbraw/zinc/02/52/63/139025263.db2.gz IALHAMMJMUAZRZ-UHFFFAOYSA-N 2 1 334.869 1.411 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)[C@@H](C)C1 ZINC000415157693 304167319 /nfs/dbraw/zinc/16/73/19/304167319.db2.gz YGQZJIDXROHRNJ-WMLDXEAASA-N 2 1 346.475 1.533 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000236955368 139036418 /nfs/dbraw/zinc/03/64/18/139036418.db2.gz FCXLJCLUEJHOLD-FQEVSTJZSA-N 2 1 344.503 1.440 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2F)CC1 ZINC000236996778 139037498 /nfs/dbraw/zinc/03/74/98/139037498.db2.gz AZRAHGFXLDDIBK-INIZCTEOSA-N 2 1 334.439 1.435 20 0 EDADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000236988858 139037376 /nfs/dbraw/zinc/03/73/76/139037376.db2.gz NCUCQQLDLOMKOK-VQIMIIECSA-N 2 1 346.519 1.814 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1C ZINC000415181250 304171904 /nfs/dbraw/zinc/17/19/04/304171904.db2.gz XPHCYBZKSYEWKE-QGZVFWFLSA-N 2 1 344.459 1.069 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@H](C)O1 ZINC000237611407 139055777 /nfs/dbraw/zinc/05/57/77/139055777.db2.gz ZKHRYRJMLSBHKA-RVKKMQEKSA-N 2 1 331.460 1.316 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237654693 139057092 /nfs/dbraw/zinc/05/70/92/139057092.db2.gz GAZNXFWKNKWCLY-GJZGRUSLSA-N 2 1 325.497 1.770 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237654659 139057110 /nfs/dbraw/zinc/05/71/10/139057110.db2.gz GAZNXFWKNKWCLY-GASCZTMLSA-N 2 1 325.497 1.770 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237654659 139057111 /nfs/dbraw/zinc/05/71/11/139057111.db2.gz GAZNXFWKNKWCLY-GASCZTMLSA-N 2 1 325.497 1.770 20 0 EDADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000238040135 139067321 /nfs/dbraw/zinc/06/73/21/139067321.db2.gz KRTUQCDAAJRYPX-SFHVURJKSA-N 2 1 330.476 1.063 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000415246257 304178182 /nfs/dbraw/zinc/17/81/82/304178182.db2.gz RANJCZBIXLYKDW-IBGZPJMESA-N 2 1 344.459 1.289 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000245780710 139085862 /nfs/dbraw/zinc/08/58/62/139085862.db2.gz RATARBBPOFPETK-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1OCC(N)=O ZINC000246929332 139127342 /nfs/dbraw/zinc/12/73/42/139127342.db2.gz GXADAECTLOWBNX-GZBFAFLISA-N 2 1 335.448 1.378 20 0 EDADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1OCC(N)=O ZINC000246929332 139127343 /nfs/dbraw/zinc/12/73/43/139127343.db2.gz GXADAECTLOWBNX-GZBFAFLISA-N 2 1 335.448 1.378 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000248686499 139171690 /nfs/dbraw/zinc/17/16/90/139171690.db2.gz HILQHCBMKJQKDM-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000249732172 139197560 /nfs/dbraw/zinc/19/75/60/139197560.db2.gz BHAQEWOLPXRAQD-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261602605 139209993 /nfs/dbraw/zinc/20/99/93/139209993.db2.gz BSBDUUMTERIULI-OAHLLOKOSA-N 2 1 332.448 1.029 20 0 EDADMP Cc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261602605 139209994 /nfs/dbraw/zinc/20/99/94/139209994.db2.gz BSBDUUMTERIULI-OAHLLOKOSA-N 2 1 332.448 1.029 20 0 EDADMP Clc1cccc(-c2noc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000261711756 139219676 /nfs/dbraw/zinc/21/96/76/139219676.db2.gz PSURQNQCVNBQES-HNNXBMFYSA-N 2 1 347.850 1.870 20 0 EDADMP Clc1cccc(-c2noc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000261711756 139219677 /nfs/dbraw/zinc/21/96/77/139219677.db2.gz PSURQNQCVNBQES-HNNXBMFYSA-N 2 1 347.850 1.870 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000261730541 139221227 /nfs/dbraw/zinc/22/12/27/139221227.db2.gz RTZSBPBNIYUPDI-INIZCTEOSA-N 2 1 327.432 1.159 20 0 EDADMP CC(C)(CNC(=O)[C@@H]([NH3+])C1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000261772374 139224706 /nfs/dbraw/zinc/22/47/06/139224706.db2.gz MJANVEPKAYEPHP-SFHVURJKSA-N 2 1 345.487 1.693 20 0 EDADMP C[N@@H+](CCN1CCN(C[C@@]2(C)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000261899384 139235030 /nfs/dbraw/zinc/23/50/30/139235030.db2.gz VROSAVHTTKEOHR-FQEVSTJZSA-N 2 1 330.520 1.736 20 0 EDADMP Clc1cccnc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261912164 139236292 /nfs/dbraw/zinc/23/62/92/139236292.db2.gz JDTLCIDFKPHAKI-NWANDNLSSA-N 2 1 325.840 1.861 20 0 EDADMP c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261997047 139242692 /nfs/dbraw/zinc/24/26/92/139242692.db2.gz UDSSSRQFBWRORZ-KURKYZTESA-N 2 1 330.476 1.929 20 0 EDADMP CN(C)c1ncc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])s1 ZINC000262039493 139245807 /nfs/dbraw/zinc/24/58/07/139245807.db2.gz OYOPMHAQIUWKPL-GFCCVEGCSA-N 2 1 325.482 1.029 20 0 EDADMP CN(C)c1ncc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])s1 ZINC000262039493 139245808 /nfs/dbraw/zinc/24/58/08/139245808.db2.gz OYOPMHAQIUWKPL-GFCCVEGCSA-N 2 1 325.482 1.029 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000414872629 250873381 /nfs/dbraw/zinc/87/33/81/250873381.db2.gz GAHLMZOSVCZPHO-MRXNPFEDSA-N 2 1 332.448 1.335 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)c2C1 ZINC000415557629 251011799 /nfs/dbraw/zinc/01/17/99/251011799.db2.gz JGFQQXSRVDGQSI-UONOGXRCSA-N 2 1 344.459 1.560 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)c2C1 ZINC000415557629 251011804 /nfs/dbraw/zinc/01/18/04/251011804.db2.gz JGFQQXSRVDGQSI-UONOGXRCSA-N 2 1 344.459 1.560 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262250157 139263655 /nfs/dbraw/zinc/26/36/55/139263655.db2.gz LOAMENCYCWWTDZ-WBVHZDCISA-N 2 1 331.460 1.694 20 0 EDADMP COC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000262289939 139266956 /nfs/dbraw/zinc/26/69/56/139266956.db2.gz MXMFQUFFOMGMDU-HNNXBMFYSA-N 2 1 327.375 1.019 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000416831324 251112061 /nfs/dbraw/zinc/11/20/61/251112061.db2.gz AXSUVXQAEUTYIM-HKUYNNGSSA-N 2 1 328.460 1.656 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000262317673 139269551 /nfs/dbraw/zinc/26/95/51/139269551.db2.gz QZNQGKSYOCBBHG-DYVFJYSZSA-N 2 1 335.423 1.283 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CC2)CCO1 ZINC000262322733 139270116 /nfs/dbraw/zinc/27/01/16/139270116.db2.gz FJZJJELHSDXEGF-JTDSTZFVSA-N 2 1 335.492 1.478 20 0 EDADMP COCC1(CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000417002640 251126861 /nfs/dbraw/zinc/12/68/61/251126861.db2.gz AUAACJOAUYQUKT-HZPDHXFCSA-N 2 1 340.512 1.422 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)NCC(C)(C)[NH3+])C[C@H](C)O1 ZINC000417099441 251143412 /nfs/dbraw/zinc/14/34/12/251143412.db2.gz CRZCXLYGNSXKPA-GASCZTMLSA-N 2 1 348.491 1.832 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)NCC(C)(C)[NH3+])C[C@H](C)O1 ZINC000417099441 251143415 /nfs/dbraw/zinc/14/34/15/251143415.db2.gz CRZCXLYGNSXKPA-GASCZTMLSA-N 2 1 348.491 1.832 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@@H]([NH3+])C3CC3)c2)CCO1 ZINC000417270607 251152330 /nfs/dbraw/zinc/15/23/30/251152330.db2.gz OKFABINQECCXEV-KBXCAEBGSA-N 2 1 346.475 1.444 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@@H]([NH3+])C3CC3)c2)CCO1 ZINC000417270607 251152336 /nfs/dbraw/zinc/15/23/36/251152336.db2.gz OKFABINQECCXEV-KBXCAEBGSA-N 2 1 346.475 1.444 20 0 EDADMP COC[C@@]1(CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000417594640 251201364 /nfs/dbraw/zinc/20/13/64/251201364.db2.gz WOIBDSKUOVBTID-LPHOPBHVSA-N 2 1 348.491 1.575 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)CC2)[nH+]1 ZINC000417708057 251237175 /nfs/dbraw/zinc/23/71/75/251237175.db2.gz YBHOFCLXYPVULY-BHYGNILZSA-N 2 1 343.475 1.738 20 0 EDADMP C[C@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000262424562 139278206 /nfs/dbraw/zinc/27/82/06/139278206.db2.gz FIIVTOMKYSZHMS-DZGCQCFKSA-N 2 1 325.478 1.354 20 0 EDADMP C[C@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000262424562 139278207 /nfs/dbraw/zinc/27/82/07/139278207.db2.gz FIIVTOMKYSZHMS-DZGCQCFKSA-N 2 1 325.478 1.354 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417726922 251244921 /nfs/dbraw/zinc/24/49/21/251244921.db2.gz IJHKKUJJXUJYLD-BQFCYCMXSA-N 2 1 345.491 1.328 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417740095 251250259 /nfs/dbraw/zinc/25/02/59/251250259.db2.gz YXUIXTYGCLVYAG-DLBZAZTESA-N 2 1 345.491 1.330 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H](C)CCC[NH3+] ZINC000417743758 251253191 /nfs/dbraw/zinc/25/31/91/251253191.db2.gz MFUYANGIJMLYIC-JKSUJKDBSA-N 2 1 348.495 1.019 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417793572 251273560 /nfs/dbraw/zinc/27/35/60/251273560.db2.gz LPQADTWSQRZJEW-FGTMMUONSA-N 2 1 334.508 1.892 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(CC[NH3+])CCO ZINC000417887610 251314322 /nfs/dbraw/zinc/31/43/22/251314322.db2.gz IGAVCCGJACDISX-VQFNDLOPSA-N 2 1 348.491 1.106 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418103029 251323081 /nfs/dbraw/zinc/32/30/81/251323081.db2.gz IFQKGJQRAFNZHM-ZWKOTPCHSA-N 2 1 330.476 1.950 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000417854592 251299431 /nfs/dbraw/zinc/29/94/31/251299431.db2.gz UGHISTAFWHMNRK-INIZCTEOSA-N 2 1 344.463 1.548 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCC(F)(F)CN)C1CC1 ZINC000418143368 251343218 /nfs/dbraw/zinc/34/32/18/251343218.db2.gz MASSWDLPUMEPPQ-HNNXBMFYSA-N 2 1 340.418 1.790 20 0 EDADMP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCC(F)(F)C[NH3+])C1CC1 ZINC000418143368 251343223 /nfs/dbraw/zinc/34/32/23/251343223.db2.gz MASSWDLPUMEPPQ-HNNXBMFYSA-N 2 1 340.418 1.790 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000418152966 251345882 /nfs/dbraw/zinc/34/58/82/251345882.db2.gz UKRMDKZBAIIVGY-QZTJIDSGSA-N 2 1 346.475 1.266 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000418194727 251352688 /nfs/dbraw/zinc/35/26/88/251352688.db2.gz DXXNTDNUNUCAQK-MRXNPFEDSA-N 2 1 331.464 1.884 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC000418201713 251356900 /nfs/dbraw/zinc/35/69/00/251356900.db2.gz SGPAVPYYSHALFC-GOEBONIOSA-N 2 1 331.464 1.869 20 0 EDADMP C[C@@H](C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000262533766 139284748 /nfs/dbraw/zinc/28/47/48/139284748.db2.gz OURWHNGWCWUBQN-SJORKVTESA-N 2 1 332.492 1.294 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H]1CC ZINC000418345186 251361836 /nfs/dbraw/zinc/36/18/36/251361836.db2.gz LFLURJNCDQMBCL-IAGOWNOFSA-N 2 1 340.512 1.518 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000418707282 251390596 /nfs/dbraw/zinc/39/05/96/251390596.db2.gz GGDYBSUOCLGJOS-IAGOWNOFSA-N 2 1 333.480 1.815 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262638093 139292108 /nfs/dbraw/zinc/29/21/08/139292108.db2.gz ITJAHAIKSQDWQH-DZGCQCFKSA-N 2 1 332.448 1.178 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCCNc2ccc(C)c[nH+]2)C1(C)C ZINC000262793271 139303951 /nfs/dbraw/zinc/30/39/51/139303951.db2.gz OWRJTBGHMFIXNB-KDOFPFPSSA-N 2 1 334.464 1.841 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)CC1 ZINC000423353595 252051077 /nfs/dbraw/zinc/05/10/77/252051077.db2.gz LZEUXKAHNQOJDX-UHFFFAOYSA-N 2 1 344.459 1.071 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423776250 252068956 /nfs/dbraw/zinc/06/89/56/252068956.db2.gz AKLPWKLFUFOVSN-HNSVSWJLSA-N 2 1 337.464 1.003 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422906277 252018142 /nfs/dbraw/zinc/01/81/42/252018142.db2.gz JLCGCTCVUUZKCD-ROUUACIJSA-N 3 1 332.492 1.728 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000423859240 252093732 /nfs/dbraw/zinc/09/37/32/252093732.db2.gz GWBUVBJNTSTWEP-ZBFHGGJFSA-N 2 1 333.432 1.172 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424146421 252143585 /nfs/dbraw/zinc/14/35/85/252143585.db2.gz PTLFVBGQIOHQHK-JKSUJKDBSA-N 2 1 346.479 1.007 20 0 EDADMP COC[C@]1(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]C1 ZINC000424213674 252162929 /nfs/dbraw/zinc/16/29/29/252162929.db2.gz AMFNJTSEMYSZHE-NSHGMRRFSA-N 2 1 343.471 1.345 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000424217011 252165296 /nfs/dbraw/zinc/16/52/96/252165296.db2.gz JZVLKAMDKFFCLF-NVXWUHKLSA-N 2 1 333.476 1.892 20 0 EDADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424476975 252246489 /nfs/dbraw/zinc/24/64/89/252246489.db2.gz KUFIEGNUNJRTNR-DSLXNQLJSA-N 2 1 342.487 1.900 20 0 EDADMP C[N@@H+](CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CCCC1 ZINC000112293398 220287230 /nfs/dbraw/zinc/28/72/30/220287230.db2.gz HYOOTPANARAGFK-UHFFFAOYSA-N 2 1 345.491 1.438 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccnn1C(C)C)C2 ZINC000112539954 220346097 /nfs/dbraw/zinc/34/60/97/220346097.db2.gz OEXJTISBKYGEBS-UONOGXRCSA-N 2 1 330.436 1.901 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCC(=O)N(C)C ZINC000345222772 285243012 /nfs/dbraw/zinc/24/30/12/285243012.db2.gz MISLENMLYFPYJI-MRXNPFEDSA-N 2 1 340.512 1.119 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000487173369 255028235 /nfs/dbraw/zinc/02/82/35/255028235.db2.gz UWFHGRUNLQBPDO-FUHWJXTLSA-N 2 1 337.508 1.535 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)n1nc(C)cc1C ZINC000337580098 285247679 /nfs/dbraw/zinc/24/76/79/285247679.db2.gz NCDWCWXVMPAYHQ-ZWKOTPCHSA-N 2 1 349.523 1.935 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000489987661 255075518 /nfs/dbraw/zinc/07/55/18/255075518.db2.gz SERLRIZXJJVLCK-KRWDZBQOSA-N 2 1 326.485 1.082 20 0 EDADMP C[NH+](C)C/C=C\C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000491867983 255153785 /nfs/dbraw/zinc/15/37/85/255153785.db2.gz LCYRRRDYVPTSJH-PLNGDYQASA-N 2 1 330.432 1.131 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493974465 255229244 /nfs/dbraw/zinc/22/92/44/255229244.db2.gz BRXMUWDHPNJJES-VVLHAWIVSA-N 2 1 335.492 1.511 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000495044300 255266842 /nfs/dbraw/zinc/26/68/42/255266842.db2.gz ZZXCOAIHOKGLEY-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000495044300 255266843 /nfs/dbraw/zinc/26/68/43/255266843.db2.gz ZZXCOAIHOKGLEY-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000495044300 255266844 /nfs/dbraw/zinc/26/68/44/255266844.db2.gz ZZXCOAIHOKGLEY-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP O=C1N[C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]2CO1 ZINC000496120658 255355273 /nfs/dbraw/zinc/35/52/73/255355273.db2.gz HBTUWHFCMODDLT-MSOLQXFVSA-N 2 1 345.443 1.449 20 0 EDADMP O=C1N[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]2CO1 ZINC000496120658 255355274 /nfs/dbraw/zinc/35/52/74/255355274.db2.gz HBTUWHFCMODDLT-MSOLQXFVSA-N 2 1 345.443 1.449 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000342566350 285280679 /nfs/dbraw/zinc/28/06/79/285280679.db2.gz GDCDXQZXBTZVNW-HOTGVXAUSA-N 2 1 347.507 1.704 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000342566350 285280681 /nfs/dbraw/zinc/28/06/81/285280681.db2.gz GDCDXQZXBTZVNW-HOTGVXAUSA-N 2 1 347.507 1.704 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000342566350 285280682 /nfs/dbraw/zinc/28/06/82/285280682.db2.gz GDCDXQZXBTZVNW-HOTGVXAUSA-N 2 1 347.507 1.704 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C[C@H]1C ZINC000361775470 285390019 /nfs/dbraw/zinc/39/00/19/285390019.db2.gz WGEGCYVUPQNVFA-ZACQAIPSSA-N 2 1 339.528 1.137 20 0 EDADMP C[NH+](C/C=C/C[N@@H+](C)CCc1cnccn1)CCc1cnccn1 ZINC000271317900 140277445 /nfs/dbraw/zinc/27/74/45/140277445.db2.gz JFYBIPAWDIUSCY-ONEGZZNKSA-N 2 1 326.448 1.472 20 0 EDADMP COc1cc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)ccc1OCC[NH+](C)C ZINC000416334696 304310405 /nfs/dbraw/zinc/31/04/05/304310405.db2.gz RGFOWDUGMROJAT-HIFRSBDPSA-N 2 1 335.448 1.772 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)CC1 ZINC000331318444 141007173 /nfs/dbraw/zinc/00/71/73/141007173.db2.gz KDZSAJLATWNKKP-NVXWUHKLSA-N 2 1 325.497 1.601 20 0 EDADMP Cn1ccnc1[C@@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000332874468 141242319 /nfs/dbraw/zinc/24/23/19/141242319.db2.gz JIZGRCXLVGGSQB-CVEARBPZSA-N 2 1 347.463 1.377 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333770723 141377922 /nfs/dbraw/zinc/37/79/22/141377922.db2.gz BZNWNSNONVONAB-CZUORRHYSA-N 2 1 332.448 1.941 20 0 EDADMP Cc1ccc(C)c(OCCC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000336877011 141471935 /nfs/dbraw/zinc/47/19/35/141471935.db2.gz LQVBEVLOWYPQEE-KRWDZBQOSA-N 2 1 333.476 1.859 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000337603954 141628348 /nfs/dbraw/zinc/62/83/48/141628348.db2.gz LHNUEMSEHWODQQ-UHFFFAOYSA-N 2 1 342.528 1.718 20 0 EDADMP CC[C@@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000339286227 142004671 /nfs/dbraw/zinc/00/46/71/142004671.db2.gz WUJOEFUKJFKJHJ-HKUYNNGSSA-N 2 1 347.503 1.982 20 0 EDADMP CC[C@@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000339286227 142004673 /nfs/dbraw/zinc/00/46/73/142004673.db2.gz WUJOEFUKJFKJHJ-HKUYNNGSSA-N 2 1 347.503 1.982 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC(c3cnc[nH]3)CC2)CC1 ZINC000339634949 142102159 /nfs/dbraw/zinc/10/21/59/142102159.db2.gz LSMQUWKKJZASCZ-UHFFFAOYSA-N 2 1 347.463 1.105 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)[C@H]2CN(c3ccccn3)C[C@@H]2C)CC1 ZINC000345163168 143059751 /nfs/dbraw/zinc/05/97/51/143059751.db2.gz AHQDMUIBTHQDPE-IRXDYDNUSA-N 2 1 346.475 1.335 20 0 EDADMP COCCN1CCCN(C(=O)[C@H]2CN(c3ccccn3)C[C@@H]2C)CC1 ZINC000345163168 143059752 /nfs/dbraw/zinc/05/97/52/143059752.db2.gz AHQDMUIBTHQDPE-IRXDYDNUSA-N 2 1 346.475 1.335 20 0 EDADMP COc1cccc([C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[NH+](C)C)c1 ZINC000345634587 143114779 /nfs/dbraw/zinc/11/47/79/143114779.db2.gz HMBGGIRMZZLRHB-MSOLQXFVSA-N 2 1 349.475 1.523 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000346237156 143182035 /nfs/dbraw/zinc/18/20/35/143182035.db2.gz YYOODJNUMQOPLA-BZUAXINKSA-N 2 1 333.476 1.976 20 0 EDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000346592608 143219952 /nfs/dbraw/zinc/21/99/52/143219952.db2.gz MYZXGXOKKQOWIK-YJBOKZPZSA-N 2 1 331.460 1.589 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000346592608 143219953 /nfs/dbraw/zinc/21/99/53/143219953.db2.gz MYZXGXOKKQOWIK-YJBOKZPZSA-N 2 1 331.460 1.589 20 0 EDADMP CO[C@@H]1CCN(Cc2nc3c(s2)C[N@H+](C(C)C)CC3)[C@H](C[NH3+])C1 ZINC000346822103 143249074 /nfs/dbraw/zinc/24/90/74/143249074.db2.gz LQAXCHWJFRWCEB-UONOGXRCSA-N 2 1 338.521 1.848 20 0 EDADMP CNC(=O)[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)C[C@@H]1c1cnn(C)c1 ZINC000346862175 143252823 /nfs/dbraw/zinc/25/28/23/143252823.db2.gz BRKSXBHXODXIHA-IAGOWNOFSA-N 2 1 344.463 1.167 20 0 EDADMP CNC(=O)[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)C[C@@H]1c1cnn(C)c1 ZINC000346862175 143252824 /nfs/dbraw/zinc/25/28/24/143252824.db2.gz BRKSXBHXODXIHA-IAGOWNOFSA-N 2 1 344.463 1.167 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000346954821 143265844 /nfs/dbraw/zinc/26/58/44/143265844.db2.gz BRLGVUWLZYUCHE-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000346954821 143265845 /nfs/dbraw/zinc/26/58/45/143265845.db2.gz BRLGVUWLZYUCHE-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000346954821 143265846 /nfs/dbraw/zinc/26/58/46/143265846.db2.gz BRLGVUWLZYUCHE-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP Cn1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(-c2cccs2)n1 ZINC000347034795 143274572 /nfs/dbraw/zinc/27/45/72/143274572.db2.gz CPLZIURSDKKMIG-CYBMUJFWSA-N 2 1 347.488 1.436 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000347067966 143278405 /nfs/dbraw/zinc/27/84/05/143278405.db2.gz KTVUOICZEVXSPU-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000347119208 143284639 /nfs/dbraw/zinc/28/46/39/143284639.db2.gz YPQNLPVZJJZRBC-MRXNPFEDSA-N 2 1 341.459 1.672 20 0 EDADMP C[C@@H]1C[C@@H](N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000347278467 143303093 /nfs/dbraw/zinc/30/30/93/143303093.db2.gz VNGDKRCXJBPDIM-NEWSRXKRSA-N 2 1 346.519 1.348 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CCN1C ZINC000347278467 143303094 /nfs/dbraw/zinc/30/30/94/143303094.db2.gz VNGDKRCXJBPDIM-NEWSRXKRSA-N 2 1 346.519 1.348 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000347957286 143383500 /nfs/dbraw/zinc/38/35/00/143383500.db2.gz CUYPLKHUETVRQE-KFWWJZLASA-N 2 1 340.512 1.068 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000572615385 306595442 /nfs/dbraw/zinc/59/54/42/306595442.db2.gz ZAQIBUVBBASIQT-IRXDYDNUSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000369765851 155167125 /nfs/dbraw/zinc/16/71/25/155167125.db2.gz IMTIFHANAPICBG-SRABZTEZSA-N 2 1 331.460 1.945 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000369765851 155167128 /nfs/dbraw/zinc/16/71/28/155167128.db2.gz IMTIFHANAPICBG-SRABZTEZSA-N 2 1 331.460 1.945 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@@H](C)C1 ZINC000342698369 286060951 /nfs/dbraw/zinc/06/09/51/286060951.db2.gz SXKGCMVBCNKTMU-HZMVEIRTSA-N 2 1 325.497 1.628 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000329703362 286093974 /nfs/dbraw/zinc/09/39/74/286093974.db2.gz IHIIREIXMYMKDG-NJAFHUGGSA-N 2 1 346.475 1.466 20 0 EDADMP CC[NH+]1CCN([C@H]2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC000353318299 149362907 /nfs/dbraw/zinc/36/29/07/149362907.db2.gz ZBYDHFFWZSRBQN-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355255128 150188010 /nfs/dbraw/zinc/18/80/10/150188010.db2.gz PDIYMXWGSHZPAK-HZPDHXFCSA-N 2 1 340.512 1.070 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](O)Cc1ccccc1 ZINC000355437158 150267129 /nfs/dbraw/zinc/26/71/29/150267129.db2.gz BNECNEYAROUKLM-RTBURBONSA-N 2 1 347.503 1.465 20 0 EDADMP C[C@@H](CNC(=O)N1CCC([NH3+])CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417031277 304362754 /nfs/dbraw/zinc/36/27/54/304362754.db2.gz BDQCOLJYPADJMT-INIZCTEOSA-N 2 1 345.491 1.330 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000417044042 304365525 /nfs/dbraw/zinc/36/55/25/304365525.db2.gz MMFPXFRLZAONAU-UHFFFAOYSA-N 2 1 327.517 1.221 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000417049543 304366857 /nfs/dbraw/zinc/36/68/57/304366857.db2.gz UKSCXSDDVHRKON-HOTGVXAUSA-N 2 1 326.485 1.319 20 0 EDADMP COCC1(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC[NH2+]CC1 ZINC000333856373 292238330 /nfs/dbraw/zinc/23/83/30/292238330.db2.gz RAJBSDRPLGMRDQ-HZPDHXFCSA-N 2 1 338.496 1.128 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](CCO)C1 ZINC000357825778 151163080 /nfs/dbraw/zinc/16/30/80/151163080.db2.gz FJAUAXDNBXXUMA-NZSAHSFTSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](CCO)C1 ZINC000357825778 151163082 /nfs/dbraw/zinc/16/30/82/151163082.db2.gz FJAUAXDNBXXUMA-NZSAHSFTSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](CCO)C1 ZINC000357825778 151163085 /nfs/dbraw/zinc/16/30/85/151163085.db2.gz FJAUAXDNBXXUMA-NZSAHSFTSA-N 2 1 345.487 1.470 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000358133336 151284048 /nfs/dbraw/zinc/28/40/48/151284048.db2.gz ZIXDESBORZHBIE-INIZCTEOSA-N 2 1 341.544 1.432 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000358133336 151284049 /nfs/dbraw/zinc/28/40/49/151284049.db2.gz ZIXDESBORZHBIE-INIZCTEOSA-N 2 1 341.544 1.432 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000358133336 151284050 /nfs/dbraw/zinc/28/40/50/151284050.db2.gz ZIXDESBORZHBIE-INIZCTEOSA-N 2 1 341.544 1.432 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000417110836 304373130 /nfs/dbraw/zinc/37/31/30/304373130.db2.gz LEOKUMBIBPKTMN-RDBSUJKOSA-N 2 1 336.505 1.887 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@H+]1CCc2sccc2C1 ZINC000417110836 304373133 /nfs/dbraw/zinc/37/31/33/304373133.db2.gz LEOKUMBIBPKTMN-RDBSUJKOSA-N 2 1 336.505 1.887 20 0 EDADMP C[NH2+]CCCNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000417120416 304374630 /nfs/dbraw/zinc/37/46/30/304374630.db2.gz ZMJNEUJQEKZLHS-HZPDHXFCSA-N 2 1 348.491 1.705 20 0 EDADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)c2csc(C[NH3+])n2)cc1 ZINC000360617702 152124892 /nfs/dbraw/zinc/12/48/92/152124892.db2.gz ICXYMSWDFAOFTR-KGLIPLIRSA-N 2 1 346.456 1.486 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360665314 152144471 /nfs/dbraw/zinc/14/44/71/152144471.db2.gz VTOPETRYYXOWEV-RDJZCZTQSA-N 2 1 342.553 1.987 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360665315 152145223 /nfs/dbraw/zinc/14/52/23/152145223.db2.gz VTOPETRYYXOWEV-WBVHZDCISA-N 2 1 342.553 1.987 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000360796428 152208327 /nfs/dbraw/zinc/20/83/27/152208327.db2.gz GKMXSDOUTLHIQX-JYJNAYRXSA-N 2 1 328.501 1.203 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000360884731 152240964 /nfs/dbraw/zinc/24/09/64/152240964.db2.gz LIQLWZNKADJRQX-JKSUJKDBSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000360884731 152240966 /nfs/dbraw/zinc/24/09/66/152240966.db2.gz LIQLWZNKADJRQX-JKSUJKDBSA-N 2 1 328.501 1.205 20 0 EDADMP COC(=O)CCC[NH+]1CCC(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000360953860 152262547 /nfs/dbraw/zinc/26/25/47/152262547.db2.gz JNQRKPVWJQJKRF-IAGOWNOFSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCC[NH+]1CCSCC1 ZINC000361433186 152393955 /nfs/dbraw/zinc/39/39/55/152393955.db2.gz BAAJURUAPKMYPL-HNNXBMFYSA-N 2 1 328.526 1.599 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)CC(=O)N1CCNC1=O ZINC000370171296 155362562 /nfs/dbraw/zinc/36/25/62/155362562.db2.gz YDBCSUVVIVVRFR-DOTOQJQBSA-N 2 1 344.459 1.381 20 0 EDADMP CCOCCCNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363822474 153067170 /nfs/dbraw/zinc/06/71/70/153067170.db2.gz OEEYRXHVPQAOOB-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000364724391 153314155 /nfs/dbraw/zinc/31/41/55/153314155.db2.gz OQOUKHSBFUQRNI-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000364724391 153314156 /nfs/dbraw/zinc/31/41/56/153314156.db2.gz OQOUKHSBFUQRNI-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP O=C(NCCN1CCCOCC1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000364838565 153348109 /nfs/dbraw/zinc/34/81/09/153348109.db2.gz KQXGSABJCJGVEB-MRXNPFEDSA-N 2 1 332.448 1.137 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C12CCOCC2 ZINC000186337897 286384556 /nfs/dbraw/zinc/38/45/56/286384556.db2.gz DPWUDDJGJXOBKK-JKSUJKDBSA-N 2 1 326.481 1.661 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000417226942 304385923 /nfs/dbraw/zinc/38/59/23/304385923.db2.gz BKZBTMPNBARPRV-ZWKOTPCHSA-N 2 1 330.476 1.806 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2CCC[NH2+]2)cc1F ZINC000417279145 304388816 /nfs/dbraw/zinc/38/88/16/304388816.db2.gz LKWRLPFCQIBMCE-CQSZACIVSA-N 2 1 331.395 1.871 20 0 EDADMP Cc1cc(NC(=O)C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)n(C)n1 ZINC000367311711 154074564 /nfs/dbraw/zinc/07/45/64/154074564.db2.gz ZLKBFAGLPUKXFJ-HNNXBMFYSA-N 2 1 345.491 1.863 20 0 EDADMP Cc1cc(NC(=O)C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)n(C)n1 ZINC000367311711 154074567 /nfs/dbraw/zinc/07/45/67/154074567.db2.gz ZLKBFAGLPUKXFJ-HNNXBMFYSA-N 2 1 345.491 1.863 20 0 EDADMP COC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000367533159 154163980 /nfs/dbraw/zinc/16/39/80/154163980.db2.gz ILIURRLOUBICJT-BPUTZDHNSA-N 2 1 339.867 1.813 20 0 EDADMP O=C1NC[C@@H]2C[N@@H+](C[C@H]3CN(Cc4ccccc4)CCCO3)CC[C@@H]12 ZINC000368066058 154393336 /nfs/dbraw/zinc/39/33/36/154393336.db2.gz WBUJDWWPDQHCSC-GUDVDZBRSA-N 2 1 343.471 1.345 20 0 EDADMP O=C1NC[C@@H]2CN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC[C@@H]12 ZINC000368066058 154393341 /nfs/dbraw/zinc/39/33/41/154393341.db2.gz WBUJDWWPDQHCSC-GUDVDZBRSA-N 2 1 343.471 1.345 20 0 EDADMP O=C1NC[C@@H]2CN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC[C@@H]12 ZINC000368066058 154393345 /nfs/dbraw/zinc/39/33/45/154393345.db2.gz WBUJDWWPDQHCSC-GUDVDZBRSA-N 2 1 343.471 1.345 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000417373671 304395234 /nfs/dbraw/zinc/39/52/34/304395234.db2.gz XOHMEQXVJMCICJ-GFCCVEGCSA-N 2 1 346.447 1.853 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000417373671 304395236 /nfs/dbraw/zinc/39/52/36/304395236.db2.gz XOHMEQXVJMCICJ-GFCCVEGCSA-N 2 1 346.447 1.853 20 0 EDADMP C[N@H+](CCN1C(=O)c2ccccc2C1=O)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369610411 155110399 /nfs/dbraw/zinc/11/03/99/155110399.db2.gz BAQGVVSBVGFEMW-AWEZNQCLSA-N 2 1 338.411 1.674 20 0 EDADMP C[N@@H+](CCN1C(=O)c2ccccc2C1=O)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369610411 155110402 /nfs/dbraw/zinc/11/04/02/155110402.db2.gz BAQGVVSBVGFEMW-AWEZNQCLSA-N 2 1 338.411 1.674 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369658423 155123131 /nfs/dbraw/zinc/12/31/31/155123131.db2.gz DGBYYMUMSUJZQT-ONIAQPFYSA-N 2 1 332.492 1.596 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369658423 155123133 /nfs/dbraw/zinc/12/31/33/155123133.db2.gz DGBYYMUMSUJZQT-ONIAQPFYSA-N 2 1 332.492 1.596 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369658423 155123134 /nfs/dbraw/zinc/12/31/34/155123134.db2.gz DGBYYMUMSUJZQT-ONIAQPFYSA-N 2 1 332.492 1.596 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000371792706 156107712 /nfs/dbraw/zinc/10/77/12/156107712.db2.gz NVHGRUDCQWQZRK-GOSISDBHSA-N 2 1 347.507 1.973 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000371888716 156152617 /nfs/dbraw/zinc/15/26/17/156152617.db2.gz QYJWBVQZWIHWAS-HLLBOEOZSA-N 2 1 346.475 1.767 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000371888716 156152621 /nfs/dbraw/zinc/15/26/21/156152621.db2.gz QYJWBVQZWIHWAS-HLLBOEOZSA-N 2 1 346.475 1.767 20 0 EDADMP CC[N@H+](CCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CC1 ZINC000372005198 156207329 /nfs/dbraw/zinc/20/73/29/156207329.db2.gz ZITLAIFQODATPU-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CC1 ZINC000372005198 156207332 /nfs/dbraw/zinc/20/73/32/156207332.db2.gz ZITLAIFQODATPU-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000372248430 156286837 /nfs/dbraw/zinc/28/68/37/156286837.db2.gz HOTXNWAILPZENI-DLBZAZTESA-N 2 1 337.508 1.678 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000372248430 156286838 /nfs/dbraw/zinc/28/68/38/156286838.db2.gz HOTXNWAILPZENI-DLBZAZTESA-N 2 1 337.508 1.678 20 0 EDADMP Cc1noc2ncnc(N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c12 ZINC000374492526 157307092 /nfs/dbraw/zinc/30/70/92/157307092.db2.gz OXPXIMXVCNEFDX-AWEZNQCLSA-N 2 1 330.436 1.531 20 0 EDADMP Cc1noc2ncnc(N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c12 ZINC000374492526 157307096 /nfs/dbraw/zinc/30/70/96/157307096.db2.gz OXPXIMXVCNEFDX-AWEZNQCLSA-N 2 1 330.436 1.531 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)O1 ZINC000374585855 157336120 /nfs/dbraw/zinc/33/61/20/157336120.db2.gz QHLUURAJTPTXHH-KURKYZTESA-N 2 1 331.460 1.521 20 0 EDADMP C[C@@H](C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1)C1C[NH2+]C1 ZINC000575396529 306669049 /nfs/dbraw/zinc/66/90/49/306669049.db2.gz UWWRQPJYNVOVNG-UKRRQHHQSA-N 2 1 336.505 1.008 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)CC[NH+](CC)CC ZINC000352264146 162082579 /nfs/dbraw/zinc/08/25/79/162082579.db2.gz GOCJKJDDSHRQKY-MRXNPFEDSA-N 2 1 333.542 1.902 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000352431434 162177130 /nfs/dbraw/zinc/17/71/30/162177130.db2.gz LJTBFKZQFHSZQP-SFHVURJKSA-N 2 1 336.524 1.395 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)cs1 ZINC000366569553 162395794 /nfs/dbraw/zinc/39/57/94/162395794.db2.gz OMCIORVJUABSQI-INIZCTEOSA-N 2 1 348.516 1.922 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(O)CC2)CC1 ZINC000051590434 287221868 /nfs/dbraw/zinc/22/18/68/287221868.db2.gz LQTYOLYMGJYIRS-UHFFFAOYSA-N 2 1 345.487 1.532 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000073589855 287261590 /nfs/dbraw/zinc/26/15/90/287261590.db2.gz TZMFOVKNFFSGPI-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000073589855 287261593 /nfs/dbraw/zinc/26/15/93/287261593.db2.gz TZMFOVKNFFSGPI-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000665758282 452327083 /nfs/dbraw/zinc/32/70/83/452327083.db2.gz DMBKFHUAYHIHAH-ZNMIVQPWSA-N 2 1 330.542 1.794 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000665758282 452327089 /nfs/dbraw/zinc/32/70/89/452327089.db2.gz DMBKFHUAYHIHAH-ZNMIVQPWSA-N 2 1 330.542 1.794 20 0 EDADMP C[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000122345865 222066460 /nfs/dbraw/zinc/06/64/60/222066460.db2.gz QCKBGYMSPOBQRC-DNVCBOLYSA-N 2 1 348.491 1.045 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000665760289 452329905 /nfs/dbraw/zinc/32/99/05/452329905.db2.gz FCYXZPJSHWHZCH-JYJNAYRXSA-N 2 1 328.501 1.061 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000665760289 452329918 /nfs/dbraw/zinc/32/99/18/452329918.db2.gz FCYXZPJSHWHZCH-JYJNAYRXSA-N 2 1 328.501 1.061 20 0 EDADMP CC(C)[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000665760250 452332322 /nfs/dbraw/zinc/33/23/22/452332322.db2.gz DEQKJEBETAMILW-JKSUJKDBSA-N 2 1 328.501 1.325 20 0 EDADMP CC(C)[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000665760250 452332334 /nfs/dbraw/zinc/33/23/34/452332334.db2.gz DEQKJEBETAMILW-JKSUJKDBSA-N 2 1 328.501 1.325 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC(C)(CC(F)F)C1 ZINC000665763687 452350385 /nfs/dbraw/zinc/35/03/85/452350385.db2.gz IZYXGPHRQXVVML-ZDUSSCGKSA-N 2 1 334.455 1.945 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC(C)(CC(F)F)C1 ZINC000665763687 452350394 /nfs/dbraw/zinc/35/03/94/452350394.db2.gz IZYXGPHRQXVVML-ZDUSSCGKSA-N 2 1 334.455 1.945 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000133567809 287541239 /nfs/dbraw/zinc/54/12/39/287541239.db2.gz AYBJYSDGCJOHQI-HNNXBMFYSA-N 2 1 343.537 1.429 20 0 EDADMP Cc1cc(N2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)nc(C)[nH+]1 ZINC000273278821 268012541 /nfs/dbraw/zinc/01/25/41/268012541.db2.gz WGSSHZWPVFZDMD-UHFFFAOYSA-N 2 1 345.491 1.910 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(CCN3CCOCC3)cc2)C1 ZINC000274924695 268240015 /nfs/dbraw/zinc/24/00/15/268240015.db2.gz YLBBJMORZBBGLP-KRWDZBQOSA-N 2 1 346.475 1.635 20 0 EDADMP C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000274924695 268240018 /nfs/dbraw/zinc/24/00/18/268240018.db2.gz YLBBJMORZBBGLP-KRWDZBQOSA-N 2 1 346.475 1.635 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000274924695 268240020 /nfs/dbraw/zinc/24/00/20/268240020.db2.gz YLBBJMORZBBGLP-KRWDZBQOSA-N 2 1 346.475 1.635 20 0 EDADMP COc1ccccc1C[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000275350941 268327876 /nfs/dbraw/zinc/32/78/76/268327876.db2.gz ZUXJGGHTYGEBLE-SFHVURJKSA-N 2 1 345.487 1.866 20 0 EDADMP COc1ccccc1C[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000275350941 268327877 /nfs/dbraw/zinc/32/78/77/268327877.db2.gz ZUXJGGHTYGEBLE-SFHVURJKSA-N 2 1 345.487 1.866 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275842739 268377721 /nfs/dbraw/zinc/37/77/21/268377721.db2.gz HFLWVQJFXSNPRU-HOCLYGCPSA-N 2 1 325.478 1.036 20 0 EDADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000276069115 273146561 /nfs/dbraw/zinc/14/65/61/273146561.db2.gz VWVXCWRCEROKLM-HNNXBMFYSA-N 2 1 346.475 1.139 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279541103 273305301 /nfs/dbraw/zinc/30/53/01/273305301.db2.gz QABWCXVMTZCCAP-GOSISDBHSA-N 2 1 328.460 1.789 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000284168048 274103283 /nfs/dbraw/zinc/10/32/83/274103283.db2.gz USCQYZKVCLLGSL-IAGOWNOFSA-N 2 1 346.475 1.006 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC(C)(C)C[NH3+] ZINC000417732827 274219542 /nfs/dbraw/zinc/21/95/42/274219542.db2.gz PKDLEXPXSFCMJQ-HNNXBMFYSA-N 2 1 333.480 1.234 20 0 EDADMP Cc1nocc1C[NH2+]C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339357234 274875464 /nfs/dbraw/zinc/87/54/64/274875464.db2.gz CNKWXZCQVFWMHJ-KGLIPLIRSA-N 2 1 334.399 1.546 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000048361294 276171426 /nfs/dbraw/zinc/17/14/26/276171426.db2.gz JEUFUNNHZOTTGA-MRXNPFEDSA-N 2 1 333.480 1.233 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000048361294 276171428 /nfs/dbraw/zinc/17/14/28/276171428.db2.gz JEUFUNNHZOTTGA-MRXNPFEDSA-N 2 1 333.480 1.233 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH+](C)CCN2C(=O)NC3(CCCC3)C2=O)[C@H](C)C1 ZINC000081095307 276224837 /nfs/dbraw/zinc/22/48/37/276224837.db2.gz CDJZGLRCMWNOQI-CABCVRRESA-N 2 1 336.480 1.513 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)CCN2C(=O)NC3(CCCC3)C2=O)[C@H](C)C1 ZINC000081095307 276224838 /nfs/dbraw/zinc/22/48/38/276224838.db2.gz CDJZGLRCMWNOQI-CABCVRRESA-N 2 1 336.480 1.513 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)[C@H](C)C1 ZINC000081095307 276224839 /nfs/dbraw/zinc/22/48/39/276224839.db2.gz CDJZGLRCMWNOQI-CABCVRRESA-N 2 1 336.480 1.513 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)[C@H](C)C1 ZINC000081095307 276224840 /nfs/dbraw/zinc/22/48/40/276224840.db2.gz CDJZGLRCMWNOQI-CABCVRRESA-N 2 1 336.480 1.513 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000357940887 276248400 /nfs/dbraw/zinc/24/84/00/276248400.db2.gz GYORADQFHQKXRZ-MRXNPFEDSA-N 2 1 336.524 1.393 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000353554083 276253737 /nfs/dbraw/zinc/25/37/37/276253737.db2.gz UMROZGGPUGLVBZ-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000364989031 276343045 /nfs/dbraw/zinc/34/30/45/276343045.db2.gz YZCBOSNTBPPKHZ-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000341326689 276378345 /nfs/dbraw/zinc/37/83/45/276378345.db2.gz XORQNLURUHGMRI-JKSUJKDBSA-N 2 1 325.522 1.804 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000192537724 277197183 /nfs/dbraw/zinc/19/71/83/277197183.db2.gz RXDJPZOYWZFNKR-GBESFXJTSA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000192537724 277197184 /nfs/dbraw/zinc/19/71/84/277197184.db2.gz RXDJPZOYWZFNKR-GBESFXJTSA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000192537724 277197185 /nfs/dbraw/zinc/19/71/85/277197185.db2.gz RXDJPZOYWZFNKR-GBESFXJTSA-N 2 1 327.472 1.919 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000333374657 277226702 /nfs/dbraw/zinc/22/67/02/277226702.db2.gz MXSJVSNBKGUWGZ-IKGGRYGDSA-N 2 1 338.496 1.271 20 0 EDADMP COCC[C@H]1CCCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000342744576 277241076 /nfs/dbraw/zinc/24/10/76/277241076.db2.gz LKQPSIFXABTSLW-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1[NH+]1CCCC1 ZINC000355800045 277521798 /nfs/dbraw/zinc/52/17/98/277521798.db2.gz ULECVMIAWZOSHW-HYVNUMGLSA-N 2 1 348.516 1.792 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000417575594 278200973 /nfs/dbraw/zinc/20/09/73/278200973.db2.gz GHOXPKLNMPWQKZ-KBAYOESNSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417025443 278244227 /nfs/dbraw/zinc/24/42/27/278244227.db2.gz RCLWRNLRDYXARG-WMZOPIPTSA-N 2 1 347.507 1.259 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000417025443 278244229 /nfs/dbraw/zinc/24/42/29/278244229.db2.gz RCLWRNLRDYXARG-WMZOPIPTSA-N 2 1 347.507 1.259 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000417025443 278244232 /nfs/dbraw/zinc/24/42/32/278244232.db2.gz RCLWRNLRDYXARG-WMZOPIPTSA-N 2 1 347.507 1.259 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CCC[N@H+]1C ZINC000345410563 279122102 /nfs/dbraw/zinc/12/21/02/279122102.db2.gz LVGYTIBTLTZLAC-KBAYOESNSA-N 2 1 332.492 1.941 20 0 EDADMP C[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000111631081 279342820 /nfs/dbraw/zinc/34/28/20/279342820.db2.gz HSWAAWSCBUDDMX-SJORKVTESA-N 2 1 332.492 1.259 20 0 EDADMP C[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000111631081 279342821 /nfs/dbraw/zinc/34/28/21/279342821.db2.gz HSWAAWSCBUDDMX-SJORKVTESA-N 2 1 332.492 1.259 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@H]3CCC[NH+](C)[C@H]3C)CC2)CCO1 ZINC000345780985 288134031 /nfs/dbraw/zinc/13/40/31/288134031.db2.gz MZTAUSOYJBMXHG-VYDXJSESSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)N[C@H]3CCC[N@H+](C)[C@H]3C)CC2)CCO1 ZINC000345780985 288134032 /nfs/dbraw/zinc/13/40/32/288134032.db2.gz MZTAUSOYJBMXHG-VYDXJSESSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)N[C@H]3CCC[N@@H+](C)[C@H]3C)CC2)CCO1 ZINC000345780985 288134033 /nfs/dbraw/zinc/13/40/33/288134033.db2.gz MZTAUSOYJBMXHG-VYDXJSESSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000246206908 288156536 /nfs/dbraw/zinc/15/65/36/288156536.db2.gz FMYVEDVWGPGCII-JZXOWHBKSA-N 2 1 337.508 1.724 20 0 EDADMP CCN(C(=O)NC[C@H](C)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000664189845 452860729 /nfs/dbraw/zinc/86/07/29/452860729.db2.gz AGXLMXQLCKABME-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000343842007 280095362 /nfs/dbraw/zinc/09/53/62/280095362.db2.gz AERUTYQUEJZPPL-VHDGCEQUSA-N 2 1 327.419 1.707 20 0 EDADMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000343842007 280095365 /nfs/dbraw/zinc/09/53/65/280095365.db2.gz AERUTYQUEJZPPL-VHDGCEQUSA-N 2 1 327.419 1.707 20 0 EDADMP CC(C)[C@H](C(=O)NCCC1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245385549 280170426 /nfs/dbraw/zinc/17/04/26/280170426.db2.gz DUVPUTBHQXOQSK-SOLBZPMBSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@H](C(=O)NCCC1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245385549 280170428 /nfs/dbraw/zinc/17/04/28/280170428.db2.gz DUVPUTBHQXOQSK-SOLBZPMBSA-N 2 1 339.524 1.968 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC000287349467 288216240 /nfs/dbraw/zinc/21/62/40/288216240.db2.gz MOHHOWNWPUHWEU-AEFFLSMTSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000287349467 288216243 /nfs/dbraw/zinc/21/62/43/288216243.db2.gz MOHHOWNWPUHWEU-AEFFLSMTSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000287349467 288216248 /nfs/dbraw/zinc/21/62/48/288216248.db2.gz MOHHOWNWPUHWEU-AEFFLSMTSA-N 2 1 348.491 1.527 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC[N@H+]1C[C@H](C)O ZINC000358869433 280375521 /nfs/dbraw/zinc/37/55/21/280375521.db2.gz XQOLKLYOJZLQDY-IAOVAPTHSA-N 2 1 337.439 1.172 20 0 EDADMP CC[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1C[C@@H](C)O ZINC000362862851 281151568 /nfs/dbraw/zinc/15/15/68/281151568.db2.gz LDVUZUFZFSSNBH-WBVHZDCISA-N 2 1 333.476 1.665 20 0 EDADMP C[C@H](NC(=O)NCC[N@H+]1CCCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000287714400 288302928 /nfs/dbraw/zinc/30/29/28/288302928.db2.gz AVXHLDZBDGEDBX-FUHWJXTLSA-N 2 1 348.491 1.699 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N2CCC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000287888878 288348524 /nfs/dbraw/zinc/34/85/24/288348524.db2.gz BWCVBGZJFTYFMX-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N2CCC[N@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000287888878 288348527 /nfs/dbraw/zinc/34/85/27/288348527.db2.gz BWCVBGZJFTYFMX-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N2CCC[N@@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000287888878 288348528 /nfs/dbraw/zinc/34/85/28/288348528.db2.gz BWCVBGZJFTYFMX-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC000287982690 288373439 /nfs/dbraw/zinc/37/34/39/288373439.db2.gz JLBMNMQIYCZHAT-AEFFLSMTSA-N 2 1 348.491 1.263 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000287982690 288373441 /nfs/dbraw/zinc/37/34/41/288373441.db2.gz JLBMNMQIYCZHAT-AEFFLSMTSA-N 2 1 348.491 1.263 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000287982690 288373443 /nfs/dbraw/zinc/37/34/43/288373443.db2.gz JLBMNMQIYCZHAT-AEFFLSMTSA-N 2 1 348.491 1.263 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000377348893 289045495 /nfs/dbraw/zinc/04/54/95/289045495.db2.gz YIOMJYNIXKROFU-GVDBMIGSSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000377348893 289045496 /nfs/dbraw/zinc/04/54/96/289045496.db2.gz YIOMJYNIXKROFU-GVDBMIGSSA-N 2 1 338.496 1.223 20 0 EDADMP O=C(CC[C@H]1CCC[NH2+]1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000291701385 289155591 /nfs/dbraw/zinc/15/55/91/289155591.db2.gz AWLMOYVLVRQKOO-MSOLQXFVSA-N 2 1 331.460 1.396 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000185209518 289187089 /nfs/dbraw/zinc/18/70/89/289187089.db2.gz GUSBFODPVBEVNV-QGZVFWFLSA-N 2 1 332.492 1.895 20 0 EDADMP Cc1cc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC000291907151 289212053 /nfs/dbraw/zinc/21/20/53/289212053.db2.gz LWLXSVLGXRBKAF-SFHVURJKSA-N 2 1 349.479 1.102 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000366636071 289221552 /nfs/dbraw/zinc/22/15/52/289221552.db2.gz MACRSGHCNLFSTK-MAUKXSAKSA-N 2 1 340.512 1.395 20 0 EDADMP COc1ccc(NC(=O)NC(=O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292043978 289246807 /nfs/dbraw/zinc/24/68/07/289246807.db2.gz AXHVYTIWELRVHE-SFHVURJKSA-N 2 1 346.431 1.371 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000292630587 289399685 /nfs/dbraw/zinc/39/96/85/289399685.db2.gz YSBMFRYXDIWOHM-HOTGVXAUSA-N 2 1 330.432 1.752 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000105192299 297014627 /nfs/dbraw/zinc/01/46/27/297014627.db2.gz GHDBINIGYGIAMK-NCOADZHNSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000105192299 297014628 /nfs/dbraw/zinc/01/46/28/297014628.db2.gz GHDBINIGYGIAMK-NCOADZHNSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H](C)O1 ZINC000352416197 297017145 /nfs/dbraw/zinc/01/71/45/297017145.db2.gz SADAGGZZJUTIPU-NBMJBFSESA-N 2 1 349.519 1.961 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H](C)O1 ZINC000352416197 297017148 /nfs/dbraw/zinc/01/71/48/297017148.db2.gz SADAGGZZJUTIPU-NBMJBFSESA-N 2 1 349.519 1.961 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000369482962 297025818 /nfs/dbraw/zinc/02/58/18/297025818.db2.gz FKIBVNXWUSGYND-JTDSTZFVSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000369482962 297025820 /nfs/dbraw/zinc/02/58/20/297025820.db2.gz FKIBVNXWUSGYND-JTDSTZFVSA-N 2 1 349.519 1.961 20 0 EDADMP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000422010971 447306634 /nfs/dbraw/zinc/30/66/34/447306634.db2.gz CKWAOASHXBYZSQ-SJLPKXTDSA-N 2 1 336.524 1.203 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)CC1 ZINC000422010971 447306636 /nfs/dbraw/zinc/30/66/36/447306636.db2.gz CKWAOASHXBYZSQ-SJLPKXTDSA-N 2 1 336.524 1.203 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)CC1 ZINC000422010971 447306640 /nfs/dbraw/zinc/30/66/40/447306640.db2.gz CKWAOASHXBYZSQ-SJLPKXTDSA-N 2 1 336.524 1.203 20 0 EDADMP CCN1CCC([NH+]2CCCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000422010971 447306641 /nfs/dbraw/zinc/30/66/41/447306641.db2.gz CKWAOASHXBYZSQ-SJLPKXTDSA-N 2 1 336.524 1.203 20 0 EDADMP CCN1CCC([NH+]2CCCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000422010971 447306646 /nfs/dbraw/zinc/30/66/46/447306646.db2.gz CKWAOASHXBYZSQ-SJLPKXTDSA-N 2 1 336.524 1.203 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420378129 304753569 /nfs/dbraw/zinc/75/35/69/304753569.db2.gz WTZUFJRDXHNFPK-MBOZVWFJSA-N 2 1 344.503 1.307 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000422040976 447322186 /nfs/dbraw/zinc/32/21/86/447322186.db2.gz SVEZXKXPTXVLSD-LJQANCHMSA-N 2 1 344.503 1.600 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCCN[C@H](c1nc[nH]n1)c1ccc(F)cc1 ZINC000293779522 303017332 /nfs/dbraw/zinc/01/73/32/303017332.db2.gz QANPQIIYVHNFCI-IRXDYDNUSA-N 2 1 347.438 1.860 20 0 EDADMP OC[C@@H]1CCC[N@@H+]1CCCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293779522 303017334 /nfs/dbraw/zinc/01/73/34/303017334.db2.gz QANPQIIYVHNFCI-IRXDYDNUSA-N 2 1 347.438 1.860 20 0 EDADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@H]2COc2ccccc2)CC1 ZINC000296282922 303307186 /nfs/dbraw/zinc/30/71/86/303307186.db2.gz MWXCYJSVWKSKKL-KRWDZBQOSA-N 2 1 331.460 1.694 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2COc2ccccc2)CC1 ZINC000296282922 303307187 /nfs/dbraw/zinc/30/71/87/303307187.db2.gz MWXCYJSVWKSKKL-KRWDZBQOSA-N 2 1 331.460 1.694 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2COc2ccccc2)CC1 ZINC000296282922 303307188 /nfs/dbraw/zinc/30/71/88/303307188.db2.gz MWXCYJSVWKSKKL-KRWDZBQOSA-N 2 1 331.460 1.694 20 0 EDADMP C[C@H]1[C@H](O)CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000296412288 303314809 /nfs/dbraw/zinc/31/48/09/303314809.db2.gz VGBLFQKDGQHZHU-QFBILLFUSA-N 2 1 345.487 1.744 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)c1ccccc1 ZINC000456208431 447328054 /nfs/dbraw/zinc/32/80/54/447328054.db2.gz IIPPXWCIPSTYIC-JZXOWHBKSA-N 2 1 333.476 1.593 20 0 EDADMP CCN(C)[C@H](C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)c1ccccc1 ZINC000456208431 447328056 /nfs/dbraw/zinc/32/80/56/447328056.db2.gz IIPPXWCIPSTYIC-JZXOWHBKSA-N 2 1 333.476 1.593 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000419667532 447333521 /nfs/dbraw/zinc/33/35/21/447333521.db2.gz BVIFRUJWEWYSTC-CVEARBPZSA-N 2 1 340.512 1.055 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262008647 303757700 /nfs/dbraw/zinc/75/77/00/303757700.db2.gz BSSXEEOHLJXSRF-FXAWDEMLSA-N 2 1 349.519 1.918 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000414876689 447338604 /nfs/dbraw/zinc/33/86/04/447338604.db2.gz KTTZFLSVYAYVJA-UHFFFAOYSA-N 2 1 332.448 1.335 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664936685 453501937 /nfs/dbraw/zinc/50/19/37/453501937.db2.gz ZGXBLNHZTVVOFC-IRXDYDNUSA-N 2 1 342.528 1.859 20 0 EDADMP [NH3+]CCCn1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)nn1 ZINC000423599222 304900680 /nfs/dbraw/zinc/90/06/80/304900680.db2.gz BFTPMIJPYWAZNP-HNNXBMFYSA-N 2 1 348.838 1.067 20 0 EDADMP [NH3+]C1(CNC(=O)[C@H]2CCC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000424036394 304925792 /nfs/dbraw/zinc/92/57/92/304925792.db2.gz HHGAEGILDBYYAY-KRWDZBQOSA-N 2 1 330.476 1.096 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000424998544 304944227 /nfs/dbraw/zinc/94/42/27/304944227.db2.gz JELKIVNEJJFDJY-UHFFFAOYSA-N 2 1 345.553 1.631 20 0 EDADMP COC(=O)[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000428814447 305018331 /nfs/dbraw/zinc/01/83/31/305018331.db2.gz RYMYHRXCFIMBQO-IEBWSBKVSA-N 2 1 332.444 1.258 20 0 EDADMP COC(=O)[C@]1(c2ccccc2)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000428814447 305018332 /nfs/dbraw/zinc/01/83/32/305018332.db2.gz RYMYHRXCFIMBQO-IEBWSBKVSA-N 2 1 332.444 1.258 20 0 EDADMP COC(=O)[C@]1(c2ccccc2)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000428814447 305018333 /nfs/dbraw/zinc/01/83/33/305018333.db2.gz RYMYHRXCFIMBQO-IEBWSBKVSA-N 2 1 332.444 1.258 20 0 EDADMP COC(=O)[C@]1(c2ccccc2)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000428814447 305018334 /nfs/dbraw/zinc/01/83/34/305018334.db2.gz RYMYHRXCFIMBQO-IEBWSBKVSA-N 2 1 332.444 1.258 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCn1nc2ccccn2c1=O ZINC000429233234 305026157 /nfs/dbraw/zinc/02/61/57/305026157.db2.gz CWGBVFYFVWUXCV-UHFFFAOYSA-N 2 1 342.447 1.667 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCn1nc2ccccn2c1=O ZINC000429233234 305026158 /nfs/dbraw/zinc/02/61/58/305026158.db2.gz CWGBVFYFVWUXCV-UHFFFAOYSA-N 2 1 342.447 1.667 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000430574040 305056811 /nfs/dbraw/zinc/05/68/11/305056811.db2.gz SCIIETUFFAQCGR-TZMCWYRMSA-N 2 1 341.402 1.963 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000430574040 305056812 /nfs/dbraw/zinc/05/68/12/305056812.db2.gz SCIIETUFFAQCGR-TZMCWYRMSA-N 2 1 341.402 1.963 20 0 EDADMP COCCOc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000430581410 305057040 /nfs/dbraw/zinc/05/70/40/305057040.db2.gz IVKHKAZDXAOPDC-WBVHZDCISA-N 2 1 349.475 1.387 20 0 EDADMP COCCOc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000430581410 305057041 /nfs/dbraw/zinc/05/70/41/305057041.db2.gz IVKHKAZDXAOPDC-WBVHZDCISA-N 2 1 349.475 1.387 20 0 EDADMP [NH3+]CC1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000430605051 305058385 /nfs/dbraw/zinc/05/83/85/305058385.db2.gz PLKATFOCGWCCLU-UHFFFAOYSA-N 2 1 344.503 1.569 20 0 EDADMP COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000430611857 305058921 /nfs/dbraw/zinc/05/89/21/305058921.db2.gz PWZYXCRJRUKQBB-GDBMZVCRSA-N 2 1 349.475 1.422 20 0 EDADMP COc1ccc(CCNC(=O)[C@@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000430611857 305058922 /nfs/dbraw/zinc/05/89/22/305058922.db2.gz PWZYXCRJRUKQBB-GDBMZVCRSA-N 2 1 349.475 1.422 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000430684146 305062440 /nfs/dbraw/zinc/06/24/40/305062440.db2.gz MLXSEFQEUYJEIJ-LBPRGKRZSA-N 2 1 345.451 1.082 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430921358 305068321 /nfs/dbraw/zinc/06/83/21/305068321.db2.gz XXSFVMIRGPWWEJ-BZUAXINKSA-N 2 1 346.475 1.098 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430921358 305068322 /nfs/dbraw/zinc/06/83/22/305068322.db2.gz XXSFVMIRGPWWEJ-BZUAXINKSA-N 2 1 346.475 1.098 20 0 EDADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC1 ZINC000430948987 305070132 /nfs/dbraw/zinc/07/01/32/305070132.db2.gz MHZYGWWIXZNZSY-ZDUSSCGKSA-N 2 1 332.448 1.386 20 0 EDADMP C[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[NH+]1CCSCC1 ZINC000432573686 305094222 /nfs/dbraw/zinc/09/42/22/305094222.db2.gz LUQRYCUUHQGAJI-GJZGRUSLSA-N 2 1 329.510 1.041 20 0 EDADMP C[C@@H](C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[NH+]1CCSCC1 ZINC000432573686 305094223 /nfs/dbraw/zinc/09/42/23/305094223.db2.gz LUQRYCUUHQGAJI-GJZGRUSLSA-N 2 1 329.510 1.041 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[NH+](C)C2CCCC2)CCCO1 ZINC000433330373 305105912 /nfs/dbraw/zinc/10/59/12/305105912.db2.gz JEJBICGKSIUGFN-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+](C)C2CCCC2)CCCO1 ZINC000433330373 305105913 /nfs/dbraw/zinc/10/59/13/305105913.db2.gz JEJBICGKSIUGFN-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+](C)C2CCCC2)CCCO1 ZINC000433330373 305105914 /nfs/dbraw/zinc/10/59/14/305105914.db2.gz JEJBICGKSIUGFN-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433392759 305107585 /nfs/dbraw/zinc/10/75/85/305107585.db2.gz YCQOJFHNLUIESQ-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433453805 305109414 /nfs/dbraw/zinc/10/94/14/305109414.db2.gz CHUXIWHFGXITRO-ZACQAIPSSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433453805 305109415 /nfs/dbraw/zinc/10/94/15/305109415.db2.gz CHUXIWHFGXITRO-ZACQAIPSSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433453805 305109416 /nfs/dbraw/zinc/10/94/16/305109416.db2.gz CHUXIWHFGXITRO-ZACQAIPSSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000434398245 305121778 /nfs/dbraw/zinc/12/17/78/305121778.db2.gz ZVSSMUBMWFOTKY-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000434398245 305121779 /nfs/dbraw/zinc/12/17/79/305121779.db2.gz ZVSSMUBMWFOTKY-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000434398245 305121780 /nfs/dbraw/zinc/12/17/80/305121780.db2.gz ZVSSMUBMWFOTKY-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000434398245 305121781 /nfs/dbraw/zinc/12/17/81/305121781.db2.gz ZVSSMUBMWFOTKY-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434491883 305123430 /nfs/dbraw/zinc/12/34/30/305123430.db2.gz DSHWEUOZLXXQTA-GOSISDBHSA-N 2 1 347.459 1.455 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434491883 305123431 /nfs/dbraw/zinc/12/34/31/305123431.db2.gz DSHWEUOZLXXQTA-GOSISDBHSA-N 2 1 347.459 1.455 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000435371719 305139098 /nfs/dbraw/zinc/13/90/98/305139098.db2.gz XAHSHKARTYVPBW-HNNXBMFYSA-N 2 1 335.448 1.381 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000435371719 305139099 /nfs/dbraw/zinc/13/90/99/305139099.db2.gz XAHSHKARTYVPBW-HNNXBMFYSA-N 2 1 335.448 1.381 20 0 EDADMP COc1ccc2oc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cc2c1 ZINC000435370935 305139197 /nfs/dbraw/zinc/13/91/97/305139197.db2.gz KJUASZMIBCTNCH-ZDUSSCGKSA-N 2 1 331.416 1.728 20 0 EDADMP C[N@H+](Cc1ccccc1OCC(=O)NCC1CC1)C1CC[NH2+]CC1 ZINC000435377994 305139347 /nfs/dbraw/zinc/13/93/47/305139347.db2.gz BWOQUWCQERYUCV-UHFFFAOYSA-N 2 1 331.460 1.775 20 0 EDADMP C[N@@H+](Cc1ccccc1OCC(=O)NCC1CC1)C1CC[NH2+]CC1 ZINC000435377994 305139348 /nfs/dbraw/zinc/13/93/48/305139348.db2.gz BWOQUWCQERYUCV-UHFFFAOYSA-N 2 1 331.460 1.775 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1C ZINC000435565475 305142684 /nfs/dbraw/zinc/14/26/84/305142684.db2.gz SJPCEGORLHLJFN-KGLIPLIRSA-N 2 1 336.484 1.500 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1C ZINC000435565475 305142685 /nfs/dbraw/zinc/14/26/85/305142685.db2.gz SJPCEGORLHLJFN-KGLIPLIRSA-N 2 1 336.484 1.500 20 0 EDADMP CC[N@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)[C@H]1CCC[NH2+]CC1 ZINC000435620049 305143716 /nfs/dbraw/zinc/14/37/16/305143716.db2.gz YWGWRXLVFUSCFQ-DLBZAZTESA-N 2 1 331.460 1.570 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)[C@H]1CCC[NH2+]CC1 ZINC000435620049 305143717 /nfs/dbraw/zinc/14/37/17/305143717.db2.gz YWGWRXLVFUSCFQ-DLBZAZTESA-N 2 1 331.460 1.570 20 0 EDADMP CC[N@H+](CC(=O)NCCOc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435629236 305143867 /nfs/dbraw/zinc/14/38/67/305143867.db2.gz XEWBHXNIKNZJSD-MRXNPFEDSA-N 2 1 337.439 1.785 20 0 EDADMP CC[N@@H+](CC(=O)NCCOc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435629236 305143868 /nfs/dbraw/zinc/14/38/68/305143868.db2.gz XEWBHXNIKNZJSD-MRXNPFEDSA-N 2 1 337.439 1.785 20 0 EDADMP CC[N@H+](CC(=O)NCc1ccc(OC)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435625656 305143910 /nfs/dbraw/zinc/14/39/10/305143910.db2.gz IIUVXGSQVWTDKJ-INIZCTEOSA-N 2 1 349.475 1.784 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccc(OC)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435625656 305143911 /nfs/dbraw/zinc/14/39/11/305143911.db2.gz IIUVXGSQVWTDKJ-INIZCTEOSA-N 2 1 349.475 1.784 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000440512371 305208890 /nfs/dbraw/zinc/20/88/90/305208890.db2.gz KHYDQROXMRIBRV-ICSRJNTNSA-N 2 1 345.487 1.614 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440512371 305208891 /nfs/dbraw/zinc/20/88/91/305208891.db2.gz KHYDQROXMRIBRV-ICSRJNTNSA-N 2 1 345.487 1.614 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440512371 305208892 /nfs/dbraw/zinc/20/88/92/305208892.db2.gz KHYDQROXMRIBRV-ICSRJNTNSA-N 2 1 345.487 1.614 20 0 EDADMP COC(=O)CC1(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000440774792 305212649 /nfs/dbraw/zinc/21/26/49/305212649.db2.gz YZVIZVREAPSNJM-SJPCQFCGSA-N 2 1 335.492 1.573 20 0 EDADMP COC(=O)CC1(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000440774792 305212650 /nfs/dbraw/zinc/21/26/50/305212650.db2.gz YZVIZVREAPSNJM-SJPCQFCGSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H](O)COCc1ccco1 ZINC000441266100 305219936 /nfs/dbraw/zinc/21/99/36/305219936.db2.gz MTFJRRUHUOZDSR-AHCXZYCDSA-N 2 1 338.448 1.341 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000443072537 305234507 /nfs/dbraw/zinc/23/45/07/305234507.db2.gz NXUSREYQVRXNJM-OAHLLOKOSA-N 2 1 344.459 1.813 20 0 EDADMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000446601767 305267671 /nfs/dbraw/zinc/26/76/71/305267671.db2.gz YYCPZNYPGGKKFO-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCCc3ccccc3CC2)C1=O ZINC000448554547 305298153 /nfs/dbraw/zinc/29/81/53/305298153.db2.gz HQFYVAPDQOCKTP-QGZVFWFLSA-N 2 1 329.444 1.166 20 0 EDADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC000451527234 305351304 /nfs/dbraw/zinc/35/13/04/305351304.db2.gz DCOSGJIVHYJYRO-OALUTQOASA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H]3CCCCO3)C2)CC1 ZINC000451527234 305351305 /nfs/dbraw/zinc/35/13/05/305351305.db2.gz DCOSGJIVHYJYRO-OALUTQOASA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H]3CCCCO3)C2)CC1 ZINC000451527234 305351306 /nfs/dbraw/zinc/35/13/06/305351306.db2.gz DCOSGJIVHYJYRO-OALUTQOASA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC000451527234 305351307 /nfs/dbraw/zinc/35/13/07/305351307.db2.gz DCOSGJIVHYJYRO-OALUTQOASA-N 2 1 337.508 1.822 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458416186 447355884 /nfs/dbraw/zinc/35/58/84/447355884.db2.gz FBEMJIUYBRJFAN-INIZCTEOSA-N 2 1 337.468 1.118 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458416186 447355885 /nfs/dbraw/zinc/35/58/85/447355885.db2.gz FBEMJIUYBRJFAN-INIZCTEOSA-N 2 1 337.468 1.118 20 0 EDADMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cn2)CC1 ZINC000518164320 305759369 /nfs/dbraw/zinc/75/93/69/305759369.db2.gz MMPPJHDZJGQHQA-ZWKOTPCHSA-N 2 1 331.508 1.831 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000414940236 447366190 /nfs/dbraw/zinc/36/61/90/447366190.db2.gz XLVZMDWLEAVWCN-BBRMVZONSA-N 2 1 330.432 1.342 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000414940236 447366196 /nfs/dbraw/zinc/36/61/96/447366196.db2.gz XLVZMDWLEAVWCN-BBRMVZONSA-N 2 1 330.432 1.342 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCCC[C@@H]1C[NH+](C)C)n2C ZINC000538685859 306032273 /nfs/dbraw/zinc/03/22/73/306032273.db2.gz FUUFQISBUJRBES-CYBMUJFWSA-N 2 1 344.463 1.591 20 0 EDADMP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000543713868 306067649 /nfs/dbraw/zinc/06/76/49/306067649.db2.gz LMSKQPCXCGMGMN-AEFFLSMTSA-N 2 1 331.460 1.900 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCCOC)CC2)CC1 ZINC000553327562 306184210 /nfs/dbraw/zinc/18/42/10/306184210.db2.gz FPRCAEXMQJPGPZ-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000553659445 306187183 /nfs/dbraw/zinc/18/71/83/306187183.db2.gz YQRWSTDGYARVHT-FLOBVVSRSA-N 2 1 336.480 1.465 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCC[C@H]1C1(O)CC1)c1ccccc1 ZINC000556780315 306217767 /nfs/dbraw/zinc/21/77/67/306217767.db2.gz XRXLQNRDPFPZRB-ROUUACIJSA-N 2 1 345.487 1.785 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[NH+](C)C ZINC000557137498 306224847 /nfs/dbraw/zinc/22/48/47/306224847.db2.gz REBJJXCMYJPLLK-ZBFHGGJFSA-N 2 1 334.464 1.739 20 0 EDADMP C[C@]1(CNC(=O)NC[C@H]2C[NH2+]CCO2)CCC[N@H+]1Cc1ccccc1 ZINC000557204742 306226313 /nfs/dbraw/zinc/22/63/13/306226313.db2.gz HMRFRNSKNMXNRE-IEBWSBKVSA-N 2 1 346.475 1.329 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@@H]1C ZINC000414949072 447369914 /nfs/dbraw/zinc/36/99/14/447369914.db2.gz ZNQTVQWRCXPWIA-WMLDXEAASA-N 2 1 346.475 1.676 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CC[NH2+]1 ZINC000414946683 447368477 /nfs/dbraw/zinc/36/84/77/447368477.db2.gz JTEQFDBEJAYEEK-NVXWUHKLSA-N 2 1 331.460 1.918 20 0 EDADMP [NH3+]CC1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000414957487 447373732 /nfs/dbraw/zinc/37/37/32/447373732.db2.gz BSNDYAKOODOGMP-UHFFFAOYSA-N 2 1 346.475 1.764 20 0 EDADMP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000414955530 447372865 /nfs/dbraw/zinc/37/28/65/447372865.db2.gz OLIXWPPLRACVPC-LZWOXQAQSA-N 2 1 339.480 1.297 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000414964034 447377316 /nfs/dbraw/zinc/37/73/16/447377316.db2.gz LLNYVWILHSVBMN-RDJZCZTQSA-N 2 1 344.459 1.287 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426125436 447395113 /nfs/dbraw/zinc/39/51/13/447395113.db2.gz DTWZGDLHIVSPDH-LMMKCTJWSA-N 2 1 348.535 1.630 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000105268943 441246954 /nfs/dbraw/zinc/24/69/54/441246954.db2.gz CHZUVZUKHOTGJB-MRXNPFEDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000105268943 441246957 /nfs/dbraw/zinc/24/69/57/441246957.db2.gz CHZUVZUKHOTGJB-MRXNPFEDSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCC(=O)OC)CC(C)C)CC1 ZINC000050031863 441369851 /nfs/dbraw/zinc/36/98/51/441369851.db2.gz VIUZUBYLDWFHDL-UHFFFAOYSA-N 2 1 327.469 1.108 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H](O)C3)CC2)cc1 ZINC000051204298 441403624 /nfs/dbraw/zinc/40/36/24/441403624.db2.gz ZIJMDOPIINJHTG-IBGZPJMESA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H](O)C3)CC2)cc1 ZINC000051204298 441403626 /nfs/dbraw/zinc/40/36/26/441403626.db2.gz ZIJMDOPIINJHTG-IBGZPJMESA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000051204298 441403630 /nfs/dbraw/zinc/40/36/30/441403630.db2.gz ZIJMDOPIINJHTG-IBGZPJMESA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000051204298 441403632 /nfs/dbraw/zinc/40/36/32/441403632.db2.gz ZIJMDOPIINJHTG-IBGZPJMESA-N 2 1 345.487 1.486 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000108540973 441461599 /nfs/dbraw/zinc/46/15/99/441461599.db2.gz AKMLAJOKFWKIIR-WBVHZDCISA-N 2 1 348.491 1.939 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000108540973 441461603 /nfs/dbraw/zinc/46/16/03/441461603.db2.gz AKMLAJOKFWKIIR-WBVHZDCISA-N 2 1 348.491 1.939 20 0 EDADMP C[NH+]1CCN(CC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000109959100 441512738 /nfs/dbraw/zinc/51/27/38/441512738.db2.gz DLHQWMCTKYKAIK-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP C[NH+]1CCN(CC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000109959100 441512743 /nfs/dbraw/zinc/51/27/43/441512743.db2.gz DLHQWMCTKYKAIK-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000109627401 441502066 /nfs/dbraw/zinc/50/20/66/441502066.db2.gz JENRYCZINAXFLX-SJORKVTESA-N 2 1 346.519 1.868 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000109755201 441504280 /nfs/dbraw/zinc/50/42/80/441504280.db2.gz MVNFKFCWPDAKHV-GOSISDBHSA-N 2 1 330.476 1.387 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000109755201 441504285 /nfs/dbraw/zinc/50/42/85/441504285.db2.gz MVNFKFCWPDAKHV-GOSISDBHSA-N 2 1 330.476 1.387 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)CN1CC[NH+](C)CC1 ZINC000109934797 441511037 /nfs/dbraw/zinc/51/10/37/441511037.db2.gz HWVQEVNFKMOCPX-UHFFFAOYSA-N 2 1 332.492 1.392 20 0 EDADMP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)o1 ZINC000114506629 441665230 /nfs/dbraw/zinc/66/52/30/441665230.db2.gz MFAPMETWRGSFJV-FUHWJXTLSA-N 2 1 335.492 1.883 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000090548860 441633817 /nfs/dbraw/zinc/63/38/17/441633817.db2.gz MPRQFZRDFQWKFX-BRWVUGGUSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000090548860 441633821 /nfs/dbraw/zinc/63/38/21/441633821.db2.gz MPRQFZRDFQWKFX-BRWVUGGUSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000136616018 441707963 /nfs/dbraw/zinc/70/79/63/441707963.db2.gz LKWPRWSTKXDHSV-JKSUJKDBSA-N 2 1 348.491 1.872 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000091848468 441747597 /nfs/dbraw/zinc/74/75/97/441747597.db2.gz CDZOYYMQVSIJAV-DLBZAZTESA-N 2 1 339.528 1.138 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000158333070 441724747 /nfs/dbraw/zinc/72/47/47/441724747.db2.gz HBNAJIXSYRNCEY-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116438632 441821945 /nfs/dbraw/zinc/82/19/45/441821945.db2.gz OCERXLFZJVYPCR-HZPDHXFCSA-N 2 1 341.544 1.288 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000043237801 441826757 /nfs/dbraw/zinc/82/67/57/441826757.db2.gz ZSRUFEGRAHUKOD-SFHVURJKSA-N 2 1 346.475 1.235 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000043237801 441826760 /nfs/dbraw/zinc/82/67/60/441826760.db2.gz ZSRUFEGRAHUKOD-SFHVURJKSA-N 2 1 346.475 1.235 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000068595447 441828238 /nfs/dbraw/zinc/82/82/38/441828238.db2.gz BODAOUGZTFIRGX-HZPDHXFCSA-N 2 1 328.501 1.373 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116567348 441830775 /nfs/dbraw/zinc/83/07/75/441830775.db2.gz CVWNINFRIFMDTA-OAHLLOKOSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@H](CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000174416977 441923030 /nfs/dbraw/zinc/92/30/30/441923030.db2.gz FFVLAJMVGQPBKL-QZTJIDSGSA-N 2 1 346.519 1.649 20 0 EDADMP C[C@H](CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000174416977 441923036 /nfs/dbraw/zinc/92/30/36/441923036.db2.gz FFVLAJMVGQPBKL-QZTJIDSGSA-N 2 1 346.519 1.649 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)N(C)CC3CC3)CC2)C[C@H](C)O1 ZINC000069016969 441879065 /nfs/dbraw/zinc/87/90/65/441879065.db2.gz RROPTJWBFDYDEP-IYBDPMFKSA-N 2 1 337.508 1.676 20 0 EDADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721110 441958442 /nfs/dbraw/zinc/95/84/42/441958442.db2.gz HHLMQGBPELBLLY-MSOLQXFVSA-N 2 1 338.540 1.735 20 0 EDADMP CCn1ccnc1C[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000150999821 441989102 /nfs/dbraw/zinc/98/91/02/441989102.db2.gz BQGMQYVYKBEMDZ-UHFFFAOYSA-N 2 1 349.523 1.963 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC000494543534 447444991 /nfs/dbraw/zinc/44/49/91/447444991.db2.gz GKHIPKKANPVMMN-ROUUACIJSA-N 2 1 345.487 1.860 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC000494543534 447444994 /nfs/dbraw/zinc/44/49/94/447444994.db2.gz GKHIPKKANPVMMN-ROUUACIJSA-N 2 1 345.487 1.860 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000126281703 442094414 /nfs/dbraw/zinc/09/44/14/442094414.db2.gz VKEPXTCBASCORO-QGZVFWFLSA-N 2 1 340.512 1.110 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000175354145 442048910 /nfs/dbraw/zinc/04/89/10/442048910.db2.gz DACLEQAFQYQATP-UHFFFAOYSA-N 2 1 328.501 1.374 20 0 EDADMP CC[N@@H+](C)CCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069818991 442050148 /nfs/dbraw/zinc/05/01/48/442050148.db2.gz IYYBAFGOPDMZFF-SFHVURJKSA-N 2 1 347.507 1.226 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000126121317 442080564 /nfs/dbraw/zinc/08/05/64/442080564.db2.gz LJQYPRKDDRGQHZ-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126121317 442080566 /nfs/dbraw/zinc/08/05/66/442080566.db2.gz LJQYPRKDDRGQHZ-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126121317 442080571 /nfs/dbraw/zinc/08/05/71/442080571.db2.gz LJQYPRKDDRGQHZ-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000162682172 442114903 /nfs/dbraw/zinc/11/49/03/442114903.db2.gz AACBASGKFQHLSI-PBWTXFEYSA-N 2 1 345.487 1.780 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[N@H+]1C1CC1 ZINC000151822081 442125667 /nfs/dbraw/zinc/12/56/67/442125667.db2.gz YGTXZXMRRQXYJZ-BBRMVZONSA-N 2 1 344.459 1.428 20 0 EDADMP CN(CC[NH+](C)C)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000176144122 442181308 /nfs/dbraw/zinc/18/13/08/442181308.db2.gz CSCPXRSIEIFQAU-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP CN(C)c1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(C)CC2)c1 ZINC000121147034 442182119 /nfs/dbraw/zinc/18/21/19/442182119.db2.gz JOVABCKIOULSGD-GOSISDBHSA-N 2 1 330.476 1.664 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1)Cc1ccccc1 ZINC000167701963 442222451 /nfs/dbraw/zinc/22/24/51/442222451.db2.gz XAMLCSNEOUCUTF-GOSISDBHSA-N 2 1 346.519 1.636 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[NH2+]C3CC3)cc2)C1 ZINC000154644499 442349665 /nfs/dbraw/zinc/34/96/65/442349665.db2.gz HIAFAMPUMNKHDP-CQSZACIVSA-N 2 1 330.432 1.074 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000177770260 442382098 /nfs/dbraw/zinc/38/20/98/442382098.db2.gz RMHVOSBTIXPWPT-INMHGKMJSA-N 2 1 339.505 1.424 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000177770260 442382100 /nfs/dbraw/zinc/38/21/00/442382100.db2.gz RMHVOSBTIXPWPT-INMHGKMJSA-N 2 1 339.505 1.424 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NCC[NH+]3CCCC3)cc2F)CC1 ZINC000172126167 442411852 /nfs/dbraw/zinc/41/18/52/442411852.db2.gz VHOZOZXLMPMNBI-UHFFFAOYSA-N 2 1 348.466 1.793 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000178984442 442545358 /nfs/dbraw/zinc/54/53/58/442545358.db2.gz WSXCNFJTMAGUPE-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000178984442 442545360 /nfs/dbraw/zinc/54/53/60/442545360.db2.gz WSXCNFJTMAGUPE-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000186396522 442526198 /nfs/dbraw/zinc/52/61/98/442526198.db2.gz ULQWUQRUJWBYIH-UHFFFAOYSA-N 2 1 330.432 1.948 20 0 EDADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000172717769 442526289 /nfs/dbraw/zinc/52/62/89/442526289.db2.gz AADDQNZNZXFQKB-INIZCTEOSA-N 2 1 339.867 1.561 20 0 EDADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000172717769 442526294 /nfs/dbraw/zinc/52/62/94/442526294.db2.gz AADDQNZNZXFQKB-INIZCTEOSA-N 2 1 339.867 1.561 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1=O ZINC000157450345 442585173 /nfs/dbraw/zinc/58/51/73/442585173.db2.gz OOTIXHXESYDTTK-OAHLLOKOSA-N 2 1 336.480 1.657 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1=O ZINC000157450345 442585175 /nfs/dbraw/zinc/58/51/75/442585175.db2.gz OOTIXHXESYDTTK-OAHLLOKOSA-N 2 1 336.480 1.657 20 0 EDADMP CN(CC[N@H+](C)C1CC1)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000186716686 442598734 /nfs/dbraw/zinc/59/87/34/442598734.db2.gz MTZOKBYUNAWEJC-IBGZPJMESA-N 2 1 344.503 1.528 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000186716686 442598740 /nfs/dbraw/zinc/59/87/40/442598740.db2.gz MTZOKBYUNAWEJC-IBGZPJMESA-N 2 1 344.503 1.528 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000135554372 442611776 /nfs/dbraw/zinc/61/17/76/442611776.db2.gz MIPYXMQIHLUYCJ-QZTJIDSGSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000135554372 442611779 /nfs/dbraw/zinc/61/17/79/442611779.db2.gz MIPYXMQIHLUYCJ-QZTJIDSGSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000135554372 442611782 /nfs/dbraw/zinc/61/17/82/442611782.db2.gz MIPYXMQIHLUYCJ-QZTJIDSGSA-N 2 1 331.460 1.354 20 0 EDADMP CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192726271 442681033 /nfs/dbraw/zinc/68/10/33/442681033.db2.gz IXOJYOOUXYHFTQ-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NCc1cccnc1N1CC[NH+](C)CC1)C2 ZINC000192747024 442682827 /nfs/dbraw/zinc/68/28/27/442682827.db2.gz PJIQFUNOBJRPEN-AYHJJNSGSA-N 2 1 329.492 1.548 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181324343 442689994 /nfs/dbraw/zinc/68/99/94/442689994.db2.gz IPEWIXAVQUEHLN-QGZVFWFLSA-N 2 1 335.496 1.795 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000187954676 442700030 /nfs/dbraw/zinc/70/00/30/442700030.db2.gz UDVKRPNONYHMEA-OKZBNKHCSA-N 2 1 331.460 1.344 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000188165185 442719411 /nfs/dbraw/zinc/71/94/11/442719411.db2.gz SKFDSISPTBJSML-GOSISDBHSA-N 2 1 331.460 1.345 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1cncc(O)c1 ZINC000181952390 442723173 /nfs/dbraw/zinc/72/31/73/442723173.db2.gz DQJQVIPRBLDXRK-IWAYRVGRSA-N 2 1 346.475 1.675 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000193292192 442730033 /nfs/dbraw/zinc/73/00/33/442730033.db2.gz SOSIUSCQTAETRI-DOTOQJQBSA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000193292192 442730036 /nfs/dbraw/zinc/73/00/36/442730036.db2.gz SOSIUSCQTAETRI-DOTOQJQBSA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000193292192 442730040 /nfs/dbraw/zinc/73/00/40/442730040.db2.gz SOSIUSCQTAETRI-DOTOQJQBSA-N 2 1 338.496 1.127 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000193068847 442710239 /nfs/dbraw/zinc/71/02/39/442710239.db2.gz YSFKDOWWIZNBKI-SFHVURJKSA-N 2 1 348.491 1.437 20 0 EDADMP CC[N@@H+](CCO)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000265457480 442780792 /nfs/dbraw/zinc/78/07/92/442780792.db2.gz DNPPNMORHFOQAL-MRXNPFEDSA-N 2 1 333.476 1.470 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247049161 442830991 /nfs/dbraw/zinc/83/09/91/442830991.db2.gz NCWGPSFZPIBMFI-ROUUACIJSA-N 2 1 346.523 1.309 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H](C)C1 ZINC000247125214 442837448 /nfs/dbraw/zinc/83/74/48/442837448.db2.gz UZPYBJFROUBBAH-QWHCGFSZSA-N 2 1 339.402 1.392 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H](C)C1 ZINC000247125214 442837449 /nfs/dbraw/zinc/83/74/49/442837449.db2.gz UZPYBJFROUBBAH-QWHCGFSZSA-N 2 1 339.402 1.392 20 0 EDADMP C[NH+](CCOCC[N@H+](C)C[C@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000247163928 442839179 /nfs/dbraw/zinc/83/91/79/442839179.db2.gz UXLBZRBVEPGPOH-HDICACEKSA-N 2 1 328.497 1.720 20 0 EDADMP C[NH+](CCOCC[N@H+](C)C[C@@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000247163928 442839181 /nfs/dbraw/zinc/83/91/81/442839181.db2.gz UXLBZRBVEPGPOH-HDICACEKSA-N 2 1 328.497 1.720 20 0 EDADMP C[NH+](CCOCC[N@@H+](C)C[C@@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000247163928 442839184 /nfs/dbraw/zinc/83/91/84/442839184.db2.gz UXLBZRBVEPGPOH-HDICACEKSA-N 2 1 328.497 1.720 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247203075 442841236 /nfs/dbraw/zinc/84/12/36/442841236.db2.gz XJBDFZRXCIADKF-BRWVUGGUSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000247270308 442844717 /nfs/dbraw/zinc/84/47/17/442844717.db2.gz CDABFTYCIUWPDD-ZACQAIPSSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000247270308 442844719 /nfs/dbraw/zinc/84/47/19/442844719.db2.gz CDABFTYCIUWPDD-ZACQAIPSSA-N 2 1 340.512 1.374 20 0 EDADMP CS(=O)(=O)CC[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183133542 442887022 /nfs/dbraw/zinc/88/70/22/442887022.db2.gz UCKQFHRGFJGNMZ-BZSNNMDCSA-N 2 1 336.501 1.921 20 0 EDADMP CS(=O)(=O)CC[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183133542 442887026 /nfs/dbraw/zinc/88/70/26/442887026.db2.gz UCKQFHRGFJGNMZ-BZSNNMDCSA-N 2 1 336.501 1.921 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[N@H+]1C1CC1 ZINC000189218989 442899423 /nfs/dbraw/zinc/89/94/23/442899423.db2.gz MFOLKXDGEBIGEO-RBSFLKMASA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[NH+]1C1CC1 ZINC000189218989 442899429 /nfs/dbraw/zinc/89/94/29/442899429.db2.gz MFOLKXDGEBIGEO-RBSFLKMASA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[NH+]1C1CC1 ZINC000189218989 442899434 /nfs/dbraw/zinc/89/94/34/442899434.db2.gz MFOLKXDGEBIGEO-RBSFLKMASA-N 2 1 338.496 1.098 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000194603854 442921480 /nfs/dbraw/zinc/92/14/80/442921480.db2.gz DBFPYIZOGFBSQT-UHFFFAOYSA-N 2 1 336.524 1.345 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000194603854 442921485 /nfs/dbraw/zinc/92/14/85/442921485.db2.gz DBFPYIZOGFBSQT-UHFFFAOYSA-N 2 1 336.524 1.345 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000249552821 442985776 /nfs/dbraw/zinc/98/57/76/442985776.db2.gz IQOWEZFINLHPJA-GDBMZVCRSA-N 2 1 347.459 1.394 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000249552821 442985779 /nfs/dbraw/zinc/98/57/79/442985779.db2.gz IQOWEZFINLHPJA-GDBMZVCRSA-N 2 1 347.459 1.394 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c(C)c1 ZINC000265981673 442993185 /nfs/dbraw/zinc/99/31/85/442993185.db2.gz BMIHMDPJAMKVAX-OALUTQOASA-N 2 1 348.487 1.697 20 0 EDADMP CC[N@H+]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000266156473 443038407 /nfs/dbraw/zinc/03/84/07/443038407.db2.gz VGNVDNUHMGLDQI-UHFFFAOYSA-N 2 1 345.491 1.148 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CN1CCC[N@H+](C2CC2)CC1)c1ccccc1 ZINC000184576575 443042317 /nfs/dbraw/zinc/04/23/17/443042317.db2.gz QZARZYIYVPDBPB-LJQANCHMSA-N 2 1 344.503 1.576 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000190354457 443090816 /nfs/dbraw/zinc/09/08/16/443090816.db2.gz JHFLVELHHJSODI-IKGGRYGDSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000184965382 443107305 /nfs/dbraw/zinc/10/73/05/443107305.db2.gz VULUMGBFJVDOOQ-HKUYNNGSSA-N 2 1 344.503 1.576 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000268812436 443116924 /nfs/dbraw/zinc/11/69/24/443116924.db2.gz FHENGVSVUPXUAL-WMLDXEAASA-N 2 1 333.432 1.751 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000237306558 443168203 /nfs/dbraw/zinc/16/82/03/443168203.db2.gz YCQMIRNZHFCAJQ-INIZCTEOSA-N 2 1 347.459 1.394 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000237306558 443168205 /nfs/dbraw/zinc/16/82/05/443168205.db2.gz YCQMIRNZHFCAJQ-INIZCTEOSA-N 2 1 347.459 1.394 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[NH+](C3CC3)CC2)Cc2ccccc2C1 ZINC000266725923 443220599 /nfs/dbraw/zinc/22/05/99/443220599.db2.gz ALTSBNLNTHZNQH-UHFFFAOYSA-N 2 1 342.487 1.575 20 0 EDADMP CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000185604440 443225610 /nfs/dbraw/zinc/22/56/10/443225610.db2.gz AOGKBGBKAWAILI-ZACQAIPSSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@H]1[C@H](C)CC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000185604440 443225612 /nfs/dbraw/zinc/22/56/12/443225612.db2.gz AOGKBGBKAWAILI-ZACQAIPSSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@H]1[C@H](C)CC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000185604440 443225615 /nfs/dbraw/zinc/22/56/15/443225615.db2.gz AOGKBGBKAWAILI-ZACQAIPSSA-N 2 1 325.497 1.580 20 0 EDADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1 ZINC000262509235 443198534 /nfs/dbraw/zinc/19/85/34/443198534.db2.gz LVLYGRSZDFKMRL-ZWKOTPCHSA-N 2 1 333.476 1.648 20 0 EDADMP CN1CCO[C@H]2CN(C(=O)NCCC[N@@H+](C)Cc3ccccc3)C[C@H]21 ZINC000350042212 319040059 /nfs/dbraw/zinc/04/00/59/319040059.db2.gz QXRVLMCDQXMSFW-MSOLQXFVSA-N 2 1 346.475 1.233 20 0 EDADMP CCC[N@@H+](CC)CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000357561418 319112089 /nfs/dbraw/zinc/11/20/89/319112089.db2.gz KGZXIQBLIUQJCE-UHFFFAOYSA-N 2 1 327.494 1.758 20 0 EDADMP COC[C@]1(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000382729453 319124853 /nfs/dbraw/zinc/12/48/53/319124853.db2.gz YZLUGENYMNDSJF-APWZRJJASA-N 2 1 331.460 1.345 20 0 EDADMP COC[C@]1(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000382729453 319124856 /nfs/dbraw/zinc/12/48/56/319124856.db2.gz YZLUGENYMNDSJF-APWZRJJASA-N 2 1 331.460 1.345 20 0 EDADMP C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CC([NH3+])C1 ZINC000384867971 319127579 /nfs/dbraw/zinc/12/75/79/319127579.db2.gz OFFTUKCUAONDBP-UHFFFAOYSA-N 2 1 337.221 1.379 20 0 EDADMP C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CC([NH3+])C1 ZINC000384867971 319127581 /nfs/dbraw/zinc/12/75/81/319127581.db2.gz OFFTUKCUAONDBP-UHFFFAOYSA-N 2 1 337.221 1.379 20 0 EDADMP CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000397458094 319134729 /nfs/dbraw/zinc/13/47/29/319134729.db2.gz WVYSVNWCIDCMNB-MRXNPFEDSA-N 2 1 339.480 1.839 20 0 EDADMP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000269253946 443252222 /nfs/dbraw/zinc/25/22/22/443252222.db2.gz QWQCROJWLFIFLE-ROUUACIJSA-N 2 1 331.460 1.536 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000269261900 443256262 /nfs/dbraw/zinc/25/62/62/443256262.db2.gz MVLBKLIPMXQMPM-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413921118 319303325 /nfs/dbraw/zinc/30/33/25/319303325.db2.gz NYPJFIIUILSTLA-INIZCTEOSA-N 2 1 341.496 1.452 20 0 EDADMP COCC[N@@H+](CCCc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414693448 319343354 /nfs/dbraw/zinc/34/33/54/319343354.db2.gz RMRMMSMXVVLUIN-IBGZPJMESA-N 2 1 347.503 1.765 20 0 EDADMP CCOc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414776735 319343776 /nfs/dbraw/zinc/34/37/76/319343776.db2.gz NYZURZUFXYSMJZ-JEYLPNPQSA-N 2 1 349.475 1.862 20 0 EDADMP CCOc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414776735 319343778 /nfs/dbraw/zinc/34/37/78/319343778.db2.gz NYZURZUFXYSMJZ-JEYLPNPQSA-N 2 1 349.475 1.862 20 0 EDADMP C[C@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000415083295 319345848 /nfs/dbraw/zinc/34/58/48/319345848.db2.gz PQOBVRZHJWIUHU-DLBZAZTESA-N 2 1 333.476 1.485 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415220992 319353372 /nfs/dbraw/zinc/35/33/72/319353372.db2.gz FMBFRQMINUVZCE-AWEZNQCLSA-N 2 1 346.475 1.507 20 0 EDADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)N(C)CC[NH3+])c1 ZINC000415860216 319379325 /nfs/dbraw/zinc/37/93/25/319379325.db2.gz MYCTZCWLEKVFKT-UHFFFAOYSA-N 2 1 343.431 1.410 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415970976 319386114 /nfs/dbraw/zinc/38/61/14/319386114.db2.gz IZEWOLLXQNLBIX-UHFFFAOYSA-N 2 1 336.436 1.258 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000416164907 319395458 /nfs/dbraw/zinc/39/54/58/319395458.db2.gz BXYCXYIXQIYKCD-FUHWJXTLSA-N 2 1 333.476 1.859 20 0 EDADMP COCC[N@H+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000416164907 319395460 /nfs/dbraw/zinc/39/54/60/319395460.db2.gz BXYCXYIXQIYKCD-FUHWJXTLSA-N 2 1 333.476 1.859 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000269278737 443264234 /nfs/dbraw/zinc/26/42/34/443264234.db2.gz ZEKJEEQEDKLZOZ-WMLDXEAASA-N 2 1 333.432 1.334 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000416825881 319464080 /nfs/dbraw/zinc/46/40/80/319464080.db2.gz BHUSBRMDEKDWTQ-KBMXLJTQSA-N 2 1 334.464 1.595 20 0 EDADMP CC(C)(CCC[NH3+])NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416888189 319469469 /nfs/dbraw/zinc/46/94/69/319469469.db2.gz UEWFELYYJVZTOX-UHFFFAOYSA-N 2 1 348.491 1.836 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000269476399 443318670 /nfs/dbraw/zinc/31/86/70/443318670.db2.gz KLTBMUXKRLNTDD-INIZCTEOSA-N 2 1 339.509 1.660 20 0 EDADMP C[N@@H+]1CC[C@H]2CCN(C(=O)NCC[NH+]3CCc4sccc4C3)[C@H]2C1 ZINC000272455689 443324841 /nfs/dbraw/zinc/32/48/41/443324841.db2.gz NJFOBSRQUFCATC-HOCLYGCPSA-N 2 1 348.516 1.842 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)NCC[NH+]3CCc4sccc4C3)[C@H]2C1 ZINC000272455689 443324843 /nfs/dbraw/zinc/32/48/43/443324843.db2.gz NJFOBSRQUFCATC-HOCLYGCPSA-N 2 1 348.516 1.842 20 0 EDADMP C[NH+]1CC[C@H]2CCN(C(=O)NCC[N@@H+]3CCc4sccc4C3)[C@H]2C1 ZINC000272455689 443324846 /nfs/dbraw/zinc/32/48/46/443324846.db2.gz NJFOBSRQUFCATC-HOCLYGCPSA-N 2 1 348.516 1.842 20 0 EDADMP C[NH+]1CC[C@H]2CCN(C(=O)NCC[N@H+]3CCc4sccc4C3)[C@H]2C1 ZINC000272455689 443324847 /nfs/dbraw/zinc/32/48/47/443324847.db2.gz NJFOBSRQUFCATC-HOCLYGCPSA-N 2 1 348.516 1.842 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1F ZINC000417273766 319489816 /nfs/dbraw/zinc/48/98/16/319489816.db2.gz YCVOCGGBIYIDBB-NHYWBVRUSA-N 2 1 331.395 1.808 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264784146 443423360 /nfs/dbraw/zinc/42/33/60/443423360.db2.gz SLAZZIXOHAHCPE-GOSISDBHSA-N 2 1 330.476 1.258 20 0 EDADMP C[C@@]1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000272958576 443501925 /nfs/dbraw/zinc/50/19/25/443501925.db2.gz FNKZFSXKVSJCCB-PKOBYXMFSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@@]1(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000272958576 443501928 /nfs/dbraw/zinc/50/19/28/443501928.db2.gz FNKZFSXKVSJCCB-PKOBYXMFSA-N 2 1 331.460 1.393 20 0 EDADMP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)ccc1S(C)(=O)=O ZINC000423358649 319766000 /nfs/dbraw/zinc/76/60/00/319766000.db2.gz JOSCLPTYCUZTJJ-TZMCWYRMSA-N 2 1 326.462 1.891 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NC[C@]2(C)CCC[NH2+]C2)c2ccccc2)CC1 ZINC000273015257 443518960 /nfs/dbraw/zinc/51/89/60/443518960.db2.gz PLHKFTUENAMXSW-AZUAARDMSA-N 2 1 344.503 1.481 20 0 EDADMP CC1(C)C[N@@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C[C@@H]1O ZINC000279889911 443634878 /nfs/dbraw/zinc/63/48/78/443634878.db2.gz USNXJHBSVWBLIU-HNNXBMFYSA-N 2 1 337.489 1.095 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436066964 320018399 /nfs/dbraw/zinc/01/83/99/320018399.db2.gz RWKJIGFNQNRGNN-OAGGEKHMSA-N 2 1 338.496 1.001 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436066964 320018402 /nfs/dbraw/zinc/01/84/02/320018402.db2.gz RWKJIGFNQNRGNN-OAGGEKHMSA-N 2 1 338.496 1.001 20 0 EDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286200590 443666972 /nfs/dbraw/zinc/66/69/72/443666972.db2.gz RQESNZSULXCBHS-CYBMUJFWSA-N 2 1 333.432 1.515 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)nc(C)[nH+]1 ZINC000444268440 320123555 /nfs/dbraw/zinc/12/35/55/320123555.db2.gz JTIITAGKJDZJLP-QAPCUYQASA-N 2 1 329.448 1.178 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2n(n1)CCC2 ZINC000448855784 320162255 /nfs/dbraw/zinc/16/22/55/320162255.db2.gz ZVBBOIJXFYGYSN-INIZCTEOSA-N 2 1 333.480 1.317 20 0 EDADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(CC(=O)OC)nn2)CC1 ZINC000449010647 320173288 /nfs/dbraw/zinc/17/32/88/320173288.db2.gz MHWAKDVGHKMJSL-UHFFFAOYSA-N 2 1 337.468 1.395 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(CC(=O)OC)nn2)CC1 ZINC000449010647 320173291 /nfs/dbraw/zinc/17/32/91/320173291.db2.gz MHWAKDVGHKMJSL-UHFFFAOYSA-N 2 1 337.468 1.395 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000458076548 320336169 /nfs/dbraw/zinc/33/61/69/320336169.db2.gz HVEOUDSTEGLQRY-HNNXBMFYSA-N 2 1 327.517 1.042 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458698206 320338700 /nfs/dbraw/zinc/33/87/00/320338700.db2.gz AGUHSFAPHXNPMC-WBVHZDCISA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458698206 320338701 /nfs/dbraw/zinc/33/87/01/320338701.db2.gz AGUHSFAPHXNPMC-WBVHZDCISA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458698206 320338702 /nfs/dbraw/zinc/33/87/02/320338702.db2.gz AGUHSFAPHXNPMC-WBVHZDCISA-N 2 1 338.496 1.149 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000276302759 443685091 /nfs/dbraw/zinc/68/50/91/443685091.db2.gz YLJZRMLKNYGNOI-UHFFFAOYSA-N 2 1 346.519 1.848 20 0 EDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000528151398 320538063 /nfs/dbraw/zinc/53/80/63/320538063.db2.gz MMYBTLZNVSGVIL-ZJOBFFGXSA-N 2 1 332.448 1.831 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000288124843 443778806 /nfs/dbraw/zinc/77/88/06/443778806.db2.gz JMDXYNHOOMRYFM-MRXNPFEDSA-N 2 1 349.479 1.031 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000288124843 443778811 /nfs/dbraw/zinc/77/88/11/443778811.db2.gz JMDXYNHOOMRYFM-MRXNPFEDSA-N 2 1 349.479 1.031 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000288287480 443833329 /nfs/dbraw/zinc/83/33/29/443833329.db2.gz SRDFBERSUQYZDE-YJBOKZPZSA-N 2 1 348.491 1.393 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000285146639 443873252 /nfs/dbraw/zinc/87/32/52/443873252.db2.gz SKJOKDYNCFHRBS-OAHLLOKOSA-N 2 1 348.491 1.211 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N1CCO[C@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000285340112 443948200 /nfs/dbraw/zinc/94/82/00/443948200.db2.gz SWCBIFHJNVUWOJ-BZSNNMDCSA-N 2 1 331.460 1.611 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CCO[C@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000285340112 443948205 /nfs/dbraw/zinc/94/82/05/443948205.db2.gz SWCBIFHJNVUWOJ-BZSNNMDCSA-N 2 1 331.460 1.611 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000285340112 443948208 /nfs/dbraw/zinc/94/82/08/443948208.db2.gz SWCBIFHJNVUWOJ-BZSNNMDCSA-N 2 1 331.460 1.611 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000285340112 443948213 /nfs/dbraw/zinc/94/82/13/443948213.db2.gz SWCBIFHJNVUWOJ-BZSNNMDCSA-N 2 1 331.460 1.611 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1 ZINC000299224468 443988223 /nfs/dbraw/zinc/98/82/23/443988223.db2.gz BMXLLIIZQVXBIX-UHFFFAOYSA-N 2 1 329.404 1.062 20 0 EDADMP COC[C@H]1C[N@H+](CCCN2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000285364901 443956784 /nfs/dbraw/zinc/95/67/84/443956784.db2.gz QWEJLFWIYFKWJI-AZUAARDMSA-N 2 1 347.503 1.934 20 0 EDADMP COC[C@H]1C[N@@H+](CCCN2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000285364901 443956786 /nfs/dbraw/zinc/95/67/86/443956786.db2.gz QWEJLFWIYFKWJI-AZUAARDMSA-N 2 1 347.503 1.934 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277305621 443958500 /nfs/dbraw/zinc/95/85/00/443958500.db2.gz UJTHCLCJEGTRCJ-QZTJIDSGSA-N 2 1 349.475 1.801 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277305621 443958503 /nfs/dbraw/zinc/95/85/03/443958503.db2.gz UJTHCLCJEGTRCJ-QZTJIDSGSA-N 2 1 349.475 1.801 20 0 EDADMP Cn1nccc1CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285579366 444035848 /nfs/dbraw/zinc/03/58/48/444035848.db2.gz WVOUYPHKMOXDPX-UHFFFAOYSA-N 2 1 341.503 1.712 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)C3(CO)CC3)CC2)cc1 ZINC000285558854 444028402 /nfs/dbraw/zinc/02/84/02/444028402.db2.gz RJSLWRPOZHDKKS-UHFFFAOYSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)C3(CO)CC3)CC2)cc1 ZINC000285558854 444028406 /nfs/dbraw/zinc/02/84/06/444028406.db2.gz RJSLWRPOZHDKKS-UHFFFAOYSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)C3(CO)CC3)CC2)cc1 ZINC000285558854 444028411 /nfs/dbraw/zinc/02/84/11/444028411.db2.gz RJSLWRPOZHDKKS-UHFFFAOYSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C3(CO)CC3)CC2)cc1 ZINC000285558854 444028416 /nfs/dbraw/zinc/02/84/16/444028416.db2.gz RJSLWRPOZHDKKS-UHFFFAOYSA-N 2 1 345.487 1.486 20 0 EDADMP C[C@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000557241969 321001147 /nfs/dbraw/zinc/00/11/47/321001147.db2.gz SLLYTRMHBXWXLU-FUHWJXTLSA-N 2 1 346.475 1.281 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000561223812 321037524 /nfs/dbraw/zinc/03/75/24/321037524.db2.gz GIBFGJNHNXMLGU-MSOLQXFVSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000561412518 321040511 /nfs/dbraw/zinc/04/05/11/321040511.db2.gz KNOFGFFRNMWKOV-VNSJNIRKSA-N 2 1 336.480 1.607 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000561412518 321040512 /nfs/dbraw/zinc/04/05/12/321040512.db2.gz KNOFGFFRNMWKOV-VNSJNIRKSA-N 2 1 336.480 1.607 20 0 EDADMP NS(=O)(=O)CCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285727451 444087587 /nfs/dbraw/zinc/08/75/87/444087587.db2.gz XISNBYUQACOETR-QGZVFWFLSA-N 2 1 337.489 1.263 20 0 EDADMP NS(=O)(=O)CCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285727451 444087592 /nfs/dbraw/zinc/08/75/92/444087592.db2.gz XISNBYUQACOETR-QGZVFWFLSA-N 2 1 337.489 1.263 20 0 EDADMP NS(=O)(=O)CCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285727451 444087596 /nfs/dbraw/zinc/08/75/96/444087596.db2.gz XISNBYUQACOETR-QGZVFWFLSA-N 2 1 337.489 1.263 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000562666898 321067856 /nfs/dbraw/zinc/06/78/56/321067856.db2.gz ANCSWIKCPVFHRG-IXDOHACOSA-N 2 1 338.496 1.100 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)C2 ZINC000563137850 321098048 /nfs/dbraw/zinc/09/80/48/321098048.db2.gz JRZVAIRKPOWNMN-SJORKVTESA-N 2 1 329.444 1.234 20 0 EDADMP CC[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563214674 321101285 /nfs/dbraw/zinc/10/12/85/321101285.db2.gz ZKGKZTYTAMCIJF-BJLQDIEVSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563214674 321101286 /nfs/dbraw/zinc/10/12/86/321101286.db2.gz ZKGKZTYTAMCIJF-BJLQDIEVSA-N 2 1 345.487 1.782 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000563886024 321114516 /nfs/dbraw/zinc/11/45/16/321114516.db2.gz ZYVAIZPVYVSPQL-IAGOWNOFSA-N 2 1 346.475 1.170 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000564431523 321131452 /nfs/dbraw/zinc/13/14/52/321131452.db2.gz IWURFIPARWCBEZ-SJORKVTESA-N 2 1 346.475 1.052 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000564856861 321152140 /nfs/dbraw/zinc/15/21/40/321152140.db2.gz ZAQYRGJPPWZVIW-CWRNSKLLSA-N 2 1 336.432 1.285 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000564910637 321155805 /nfs/dbraw/zinc/15/58/05/321155805.db2.gz ICXPZELYIYSVNX-HOCLYGCPSA-N 2 1 338.496 1.001 20 0 EDADMP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000565233465 321177429 /nfs/dbraw/zinc/17/74/29/321177429.db2.gz MHLDMOPUMCYRNW-SJLPKXTDSA-N 2 1 339.443 1.139 20 0 EDADMP C[C@H](O)CN1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000565549111 321191326 /nfs/dbraw/zinc/19/13/26/321191326.db2.gz MYHLLFCVRKSQBQ-FUHWJXTLSA-N 2 1 331.460 1.034 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000565549111 321191327 /nfs/dbraw/zinc/19/13/27/321191327.db2.gz MYHLLFCVRKSQBQ-FUHWJXTLSA-N 2 1 331.460 1.034 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000565549111 321191328 /nfs/dbraw/zinc/19/13/28/321191328.db2.gz MYHLLFCVRKSQBQ-FUHWJXTLSA-N 2 1 331.460 1.034 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cn(C)nc3C)CC2)CC1 ZINC000567122222 321241849 /nfs/dbraw/zinc/24/18/49/321241849.db2.gz AZQNGFDHDNBQNM-UHFFFAOYSA-N 2 1 347.507 1.541 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000567739195 321256575 /nfs/dbraw/zinc/25/65/75/321256575.db2.gz FEQBYZUGVRKQRN-MJGOQNOKSA-N 2 1 344.503 1.846 20 0 EDADMP [NH3+]C1(CNC(=O)C2CC[NH2+]CC2)CCN(Cc2ccccc2)CC1 ZINC000567841823 321261766 /nfs/dbraw/zinc/26/17/66/321261766.db2.gz RCIDKFBIWBVEAK-UHFFFAOYSA-N 2 1 330.476 1.096 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CN1c1ccccc1 ZINC000568499390 321294195 /nfs/dbraw/zinc/29/41/95/321294195.db2.gz PYUJWRUAUFYHFA-LEUOFYLZSA-N 2 1 329.444 1.539 20 0 EDADMP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)COc1cccc2[nH]ccc21 ZINC000569921510 321331715 /nfs/dbraw/zinc/33/17/15/321331715.db2.gz VSDGGEVRPRPDGQ-ZBFHGGJFSA-N 2 1 329.444 1.982 20 0 EDADMP O=c1c2c(ncn1Cc1[nH+]ccn1Cc1ccccc1)CC[NH2+]CC2 ZINC000570512691 321343920 /nfs/dbraw/zinc/34/39/20/321343920.db2.gz PJRLLGNPYMRAGL-UHFFFAOYSA-N 2 1 335.411 1.225 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C2([NH3+])CCC2)[C@@H](c2ccccc2)C1 ZINC000571557321 321392458 /nfs/dbraw/zinc/39/24/58/321392458.db2.gz ZGMVARQGBVNHQO-QGZVFWFLSA-N 2 1 330.476 1.363 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C2([NH3+])CCC2)[C@@H](c2ccccc2)C1 ZINC000571557321 321392460 /nfs/dbraw/zinc/39/24/60/321392460.db2.gz ZGMVARQGBVNHQO-QGZVFWFLSA-N 2 1 330.476 1.363 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C2([NH3+])CCC2)[C@@H](c2ccccc2)C1 ZINC000571557321 321392461 /nfs/dbraw/zinc/39/24/61/321392461.db2.gz ZGMVARQGBVNHQO-QGZVFWFLSA-N 2 1 330.476 1.363 20 0 EDADMP O=C1NCCN1CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000289348355 444113466 /nfs/dbraw/zinc/11/34/66/444113466.db2.gz FWVBUALBLOCILH-IBGZPJMESA-N 2 1 328.460 1.610 20 0 EDADMP O=C1NCCN1CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000289348355 444113471 /nfs/dbraw/zinc/11/34/71/444113471.db2.gz FWVBUALBLOCILH-IBGZPJMESA-N 2 1 328.460 1.610 20 0 EDADMP O=C1NCCN1CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000289348355 444113474 /nfs/dbraw/zinc/11/34/74/444113474.db2.gz FWVBUALBLOCILH-IBGZPJMESA-N 2 1 328.460 1.610 20 0 EDADMP O=C1NCCN1CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000289348355 444113478 /nfs/dbraw/zinc/11/34/78/444113478.db2.gz FWVBUALBLOCILH-IBGZPJMESA-N 2 1 328.460 1.610 20 0 EDADMP O=C1NCCN1CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000289348355 444113481 /nfs/dbraw/zinc/11/34/81/444113481.db2.gz FWVBUALBLOCILH-IBGZPJMESA-N 2 1 328.460 1.610 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C2CC2)nc1 ZINC000294614146 444129826 /nfs/dbraw/zinc/12/98/26/444129826.db2.gz QZWQBSOZBSFFKR-QGZVFWFLSA-N 2 1 345.491 1.842 20 0 EDADMP Cc1cnn(C)c1CN(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000289660361 444187741 /nfs/dbraw/zinc/18/77/41/444187741.db2.gz YNWOWRHVRNUHND-MAUKXSAKSA-N 2 1 330.480 1.977 20 0 EDADMP Cc1cnn(C)c1CN(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000289660361 444187742 /nfs/dbraw/zinc/18/77/42/444187742.db2.gz YNWOWRHVRNUHND-MAUKXSAKSA-N 2 1 330.480 1.977 20 0 EDADMP COc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000289747678 444198304 /nfs/dbraw/zinc/19/83/04/444198304.db2.gz IZINOZULUDJFCI-UHFFFAOYSA-N 2 1 331.460 1.681 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289997071 444228605 /nfs/dbraw/zinc/22/86/05/444228605.db2.gz YTFMBHZREURNKO-PBHICJAKSA-N 2 1 337.489 1.785 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289997071 444228614 /nfs/dbraw/zinc/22/86/14/444228614.db2.gz YTFMBHZREURNKO-PBHICJAKSA-N 2 1 337.489 1.785 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000297658904 444315013 /nfs/dbraw/zinc/31/50/13/444315013.db2.gz UXLWFWHJEWRDAD-QZTJIDSGSA-N 2 1 342.443 1.191 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000297658904 444315014 /nfs/dbraw/zinc/31/50/14/444315014.db2.gz UXLWFWHJEWRDAD-QZTJIDSGSA-N 2 1 342.443 1.191 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1)C1CC1 ZINC000305711950 444274360 /nfs/dbraw/zinc/27/43/60/444274360.db2.gz YBWDTPDDAHXYLW-ZWKOTPCHSA-N 2 1 331.460 1.222 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C1CC1 ZINC000305711950 444274362 /nfs/dbraw/zinc/27/43/62/444274362.db2.gz YBWDTPDDAHXYLW-ZWKOTPCHSA-N 2 1 331.460 1.222 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C1CC1 ZINC000305711950 444274364 /nfs/dbraw/zinc/27/43/64/444274364.db2.gz YBWDTPDDAHXYLW-ZWKOTPCHSA-N 2 1 331.460 1.222 20 0 EDADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1C ZINC000307976449 444288562 /nfs/dbraw/zinc/28/85/62/444288562.db2.gz WDLPGTROXDBYDO-FUHWJXTLSA-N 2 1 347.507 1.600 20 0 EDADMP CC1(OCC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[NH2+]C1 ZINC000310093190 444290839 /nfs/dbraw/zinc/29/08/39/444290839.db2.gz SQFIJZCFGMNREA-KRWDZBQOSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000310295645 444291125 /nfs/dbraw/zinc/29/11/25/444291125.db2.gz OUBZMVAQPYXIKE-MRXNPFEDSA-N 2 1 332.492 1.307 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)NCCN1CCOC[C@H]1C ZINC000337721613 444373458 /nfs/dbraw/zinc/37/34/58/444373458.db2.gz PRBZDVDDFDYAQO-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1(C)C ZINC000340380267 444382489 /nfs/dbraw/zinc/38/24/89/444382489.db2.gz JIPIBJPLTDAGIA-UHFFFAOYSA-N 2 1 345.553 1.205 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC1 ZINC000580282685 322030197 /nfs/dbraw/zinc/03/01/97/322030197.db2.gz OCIMHIHOQBSQKT-GOSISDBHSA-N 2 1 345.491 1.864 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC1 ZINC000580282685 322030198 /nfs/dbraw/zinc/03/01/98/322030198.db2.gz OCIMHIHOQBSQKT-GOSISDBHSA-N 2 1 345.491 1.864 20 0 EDADMP CC(C)[C@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580655063 322079038 /nfs/dbraw/zinc/07/90/38/322079038.db2.gz DRMYDECACIAILH-XAZSACEBSA-N 2 1 337.508 1.850 20 0 EDADMP CC(C)[C@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580655063 322079040 /nfs/dbraw/zinc/07/90/40/322079040.db2.gz DRMYDECACIAILH-XAZSACEBSA-N 2 1 337.508 1.850 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000581430352 322176920 /nfs/dbraw/zinc/17/69/20/322176920.db2.gz ZZAOPDGXHQKAEW-RCCFBDPRSA-N 2 1 331.460 1.486 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000581538547 322189160 /nfs/dbraw/zinc/18/91/60/322189160.db2.gz RBSOGUZHXQLIBC-MGMWPHTOSA-N 2 1 334.508 1.876 20 0 EDADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000581934412 322234849 /nfs/dbraw/zinc/23/48/49/322234849.db2.gz NHQGPQBWIQZUSG-WBVHZDCISA-N 2 1 335.423 1.983 20 0 EDADMP CC[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[NH+](CC)CC ZINC000342202109 444561738 /nfs/dbraw/zinc/56/17/38/444561738.db2.gz HDGZQQZWVSPXDX-GBESFXJTSA-N 2 1 347.503 1.858 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)CC1 ZINC000340916667 444574685 /nfs/dbraw/zinc/57/46/85/444574685.db2.gz UCYMTHALDKHFSG-PKOBYXMFSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](O)C[C@@H]2C)CC1 ZINC000340916667 444574687 /nfs/dbraw/zinc/57/46/87/444574687.db2.gz UCYMTHALDKHFSG-PKOBYXMFSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](O)C[C@@H]2C)CC1 ZINC000340916667 444574690 /nfs/dbraw/zinc/57/46/90/444574690.db2.gz UCYMTHALDKHFSG-PKOBYXMFSA-N 2 1 345.487 1.484 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)CCN1C1CC[NH+](C)CC1 ZINC000343710442 444536530 /nfs/dbraw/zinc/53/65/30/444536530.db2.gz LJFANEAZRHCGAU-HNNXBMFYSA-N 2 1 342.491 1.569 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)CCN1C1CC[NH+](C)CC1 ZINC000343710446 444536729 /nfs/dbraw/zinc/53/67/29/444536729.db2.gz LJFANEAZRHCGAU-OAHLLOKOSA-N 2 1 342.491 1.569 20 0 EDADMP C[C@@H]1C[NH+](C)CCN1Cc1ccccc1CN1CC[N@H+](C)C[C@H]1C ZINC000343717453 444542876 /nfs/dbraw/zinc/54/28/76/444542876.db2.gz QZURDYDHYUQVMY-QZTJIDSGSA-N 2 1 330.520 1.958 20 0 EDADMP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[NH+]1CCSCC1 ZINC000343730278 444550861 /nfs/dbraw/zinc/55/08/61/444550861.db2.gz XSRFBMFJQDVNNW-INIZCTEOSA-N 3 1 344.569 1.156 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000340963341 444600978 /nfs/dbraw/zinc/60/09/78/444600978.db2.gz JWLJRAVXQHXCJO-IXDOHACOSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000340963341 444600981 /nfs/dbraw/zinc/60/09/81/444600981.db2.gz JWLJRAVXQHXCJO-IXDOHACOSA-N 2 1 340.512 1.515 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH2+]CC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000343802117 444601299 /nfs/dbraw/zinc/60/12/99/444601299.db2.gz SILGMYZCVFBCOF-HOTGVXAUSA-N 2 1 337.414 1.964 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH2+]CC1(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000343802117 444601303 /nfs/dbraw/zinc/60/13/03/444601303.db2.gz SILGMYZCVFBCOF-HOTGVXAUSA-N 2 1 337.414 1.964 20 0 EDADMP C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)n2)CC1 ZINC000332976312 444617540 /nfs/dbraw/zinc/61/75/40/444617540.db2.gz KQBYOHNFILXJED-HOTGVXAUSA-N 2 1 346.479 1.898 20 0 EDADMP CC[NH+](CC)CCC[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000338300590 444619532 /nfs/dbraw/zinc/61/95/32/444619532.db2.gz FLHIPDCQORDOFO-ZWKOTPCHSA-N 2 1 339.503 1.996 20 0 EDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000338300590 444619535 /nfs/dbraw/zinc/61/95/35/444619535.db2.gz FLHIPDCQORDOFO-ZWKOTPCHSA-N 2 1 339.503 1.996 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000333260054 444651776 /nfs/dbraw/zinc/65/17/76/444651776.db2.gz ISGYSONTLDAWQJ-ZACQAIPSSA-N 2 1 331.464 1.506 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333387440 444662276 /nfs/dbraw/zinc/66/22/76/444662276.db2.gz OHRUASSEGWOEQU-UGFDZVJKSA-N 2 1 346.519 1.922 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000343882437 444644498 /nfs/dbraw/zinc/64/44/98/444644498.db2.gz AYVSSNRSUXFBJN-UHFFFAOYSA-N 2 1 345.487 1.669 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000342349443 444647191 /nfs/dbraw/zinc/64/71/91/444647191.db2.gz RDSRVZRBMGICBZ-DOTOQJQBSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000342349443 444647196 /nfs/dbraw/zinc/64/71/96/444647196.db2.gz RDSRVZRBMGICBZ-DOTOQJQBSA-N 2 1 338.496 1.221 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000341169222 444707189 /nfs/dbraw/zinc/70/71/89/444707189.db2.gz QREYMLLOIXTBLE-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000341169222 444707192 /nfs/dbraw/zinc/70/71/92/444707192.db2.gz QREYMLLOIXTBLE-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000341169222 444707196 /nfs/dbraw/zinc/70/71/96/444707196.db2.gz QREYMLLOIXTBLE-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344013591 444728125 /nfs/dbraw/zinc/72/81/25/444728125.db2.gz CMDSDEGUOZSSOU-FGTMMUONSA-N 2 1 340.556 1.980 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)[NH+]1CCOCC1 ZINC000341256008 444750323 /nfs/dbraw/zinc/75/03/23/444750323.db2.gz KOLRKKPBZUOOCL-QGZVFWFLSA-N 2 1 338.496 1.223 20 0 EDADMP COC(=O)[C@](C)(O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000336789381 444796047 /nfs/dbraw/zinc/79/60/47/444796047.db2.gz JEDWTMOLTMQNHU-LJQANCHMSA-N 2 1 346.471 1.899 20 0 EDADMP C[C@@H](CNC(=O)NCc1ccncc1OCC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000341397506 444811165 /nfs/dbraw/zinc/81/11/65/444811165.db2.gz WFOASRJONWQWHR-AWEZNQCLSA-N 2 1 349.479 1.304 20 0 EDADMP CCC1(CC)[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@H]1OC ZINC000344178708 444823887 /nfs/dbraw/zinc/82/38/87/444823887.db2.gz VTIFNSMSXCEILW-BZUAXINKSA-N 2 1 325.497 1.757 20 0 EDADMP C[NH+](CC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000342719037 444832784 /nfs/dbraw/zinc/83/27/84/444832784.db2.gz BCJJFQUXILRKLQ-INIZCTEOSA-N 2 1 333.501 1.767 20 0 EDADMP C[NH+](Cc1ccccc1)C1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000342719037 444832786 /nfs/dbraw/zinc/83/27/86/444832786.db2.gz BCJJFQUXILRKLQ-INIZCTEOSA-N 2 1 333.501 1.767 20 0 EDADMP C[NH+](Cc1ccccc1)C1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000342719037 444832789 /nfs/dbraw/zinc/83/27/89/444832789.db2.gz BCJJFQUXILRKLQ-INIZCTEOSA-N 2 1 333.501 1.767 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342728798 444837746 /nfs/dbraw/zinc/83/77/46/444837746.db2.gz KSIMIWCKALDLIB-RFSXOUPVSA-N 2 1 337.508 1.706 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342728798 444837749 /nfs/dbraw/zinc/83/77/49/444837749.db2.gz KSIMIWCKALDLIB-RFSXOUPVSA-N 2 1 337.508 1.706 20 0 EDADMP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000338766216 444843048 /nfs/dbraw/zinc/84/30/48/444843048.db2.gz KLUABLSDFPHKFO-BBWFWOEESA-N 2 1 327.513 1.967 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000338766216 444843052 /nfs/dbraw/zinc/84/30/52/444843052.db2.gz KLUABLSDFPHKFO-BBWFWOEESA-N 2 1 327.513 1.967 20 0 EDADMP CC[NH+](CCNC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000338766216 444843058 /nfs/dbraw/zinc/84/30/58/444843058.db2.gz KLUABLSDFPHKFO-BBWFWOEESA-N 2 1 327.513 1.967 20 0 EDADMP CC[NH+](CCNC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000338766216 444843060 /nfs/dbraw/zinc/84/30/60/444843060.db2.gz KLUABLSDFPHKFO-BBWFWOEESA-N 2 1 327.513 1.967 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000342764511 444854736 /nfs/dbraw/zinc/85/47/36/444854736.db2.gz IONNNQBQHAIRRL-UONOGXRCSA-N 2 1 327.469 1.284 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+][C@H]3C)c2)CCO1 ZINC000342765390 444856081 /nfs/dbraw/zinc/85/60/81/444856081.db2.gz NTMDTVFAGVILDB-GJYPPUQNSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+][C@H]3C)c2)CCO1 ZINC000342765390 444856085 /nfs/dbraw/zinc/85/60/85/444856085.db2.gz NTMDTVFAGVILDB-GJYPPUQNSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCC[N@H+]1C ZINC000336969345 444880373 /nfs/dbraw/zinc/88/03/73/444880373.db2.gz JKRRLYQUAOJSSP-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1=O ZINC000337041372 444913893 /nfs/dbraw/zinc/91/38/93/444913893.db2.gz BKWREOXUQCRVMB-CVEARBPZSA-N 2 1 344.459 1.381 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCC[N@H+]1C ZINC000344422456 444958884 /nfs/dbraw/zinc/95/88/84/444958884.db2.gz HCWUGBDNUWMBEC-RHSMWYFYSA-N 2 1 346.475 1.328 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)CN1CCOCC1 ZINC000342981850 444987786 /nfs/dbraw/zinc/98/77/86/444987786.db2.gz ULTGKCLZILMCJZ-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](C2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000339129702 445047506 /nfs/dbraw/zinc/04/75/06/445047506.db2.gz MOGSOCNCRFIVEF-MRXNPFEDSA-N 2 1 335.492 1.478 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000343087959 445053321 /nfs/dbraw/zinc/05/33/21/445053321.db2.gz KWJNYBDVXXUMFH-OLMNPRSZSA-N 2 1 331.460 1.067 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000343087959 445053326 /nfs/dbraw/zinc/05/33/26/445053326.db2.gz KWJNYBDVXXUMFH-OLMNPRSZSA-N 2 1 331.460 1.067 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000343087959 445053332 /nfs/dbraw/zinc/05/33/32/445053332.db2.gz KWJNYBDVXXUMFH-OLMNPRSZSA-N 2 1 331.460 1.067 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)C1CCOCC1 ZINC000339194327 445082566 /nfs/dbraw/zinc/08/25/66/445082566.db2.gz SFTOIPZBEVVQQP-SJLPKXTDSA-N 2 1 339.524 1.924 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342096113 445169478 /nfs/dbraw/zinc/16/94/78/445169478.db2.gz GPWSAVFNWJZCOK-SDNTUTLCSA-N 2 1 344.459 1.432 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342096113 445169480 /nfs/dbraw/zinc/16/94/80/445169480.db2.gz GPWSAVFNWJZCOK-SDNTUTLCSA-N 2 1 344.459 1.432 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000342048944 445144530 /nfs/dbraw/zinc/14/45/30/445144530.db2.gz OFSSWFRMFHGITO-XOKHGSTOSA-N 2 1 344.459 1.273 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000342048944 445144535 /nfs/dbraw/zinc/14/45/35/445144535.db2.gz OFSSWFRMFHGITO-XOKHGSTOSA-N 2 1 344.459 1.273 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000342048944 445144538 /nfs/dbraw/zinc/14/45/38/445144538.db2.gz OFSSWFRMFHGITO-XOKHGSTOSA-N 2 1 344.459 1.273 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000342048944 445144542 /nfs/dbraw/zinc/14/45/42/445144542.db2.gz OFSSWFRMFHGITO-XOKHGSTOSA-N 2 1 344.459 1.273 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000342048944 445144544 /nfs/dbraw/zinc/14/45/44/445144544.db2.gz OFSSWFRMFHGITO-XOKHGSTOSA-N 2 1 344.459 1.273 20 0 EDADMP COc1ccc(OC)c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000346070529 445205476 /nfs/dbraw/zinc/20/54/76/445205476.db2.gz NNWQXMNGNKMQFY-LSDHHAIUSA-N 2 1 349.475 1.942 20 0 EDADMP COc1ccc(OC)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000346070529 445205478 /nfs/dbraw/zinc/20/54/78/445205478.db2.gz NNWQXMNGNKMQFY-LSDHHAIUSA-N 2 1 349.475 1.942 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000347050427 445230186 /nfs/dbraw/zinc/23/01/86/445230186.db2.gz NOLHZZSCUUEPAZ-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)C1 ZINC000347047086 445230210 /nfs/dbraw/zinc/23/02/10/445230210.db2.gz QWNXSAIJZJNQMZ-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000347047086 445230212 /nfs/dbraw/zinc/23/02/12/445230212.db2.gz QWNXSAIJZJNQMZ-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000347047086 445230213 /nfs/dbraw/zinc/23/02/13/445230213.db2.gz QWNXSAIJZJNQMZ-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000347206078 445234237 /nfs/dbraw/zinc/23/42/37/445234237.db2.gz DZDSDMBJXPGVKQ-WBVHZDCISA-N 2 1 338.496 1.365 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000347206078 445234239 /nfs/dbraw/zinc/23/42/39/445234239.db2.gz DZDSDMBJXPGVKQ-WBVHZDCISA-N 2 1 338.496 1.365 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000347206078 445234241 /nfs/dbraw/zinc/23/42/41/445234241.db2.gz DZDSDMBJXPGVKQ-WBVHZDCISA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000347666731 445244366 /nfs/dbraw/zinc/24/43/66/445244366.db2.gz JICWQDRPKXKHMK-YYIAUSFCSA-N 2 1 325.497 1.437 20 0 EDADMP COC(=O)CN(C)C(=O)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347951990 445257634 /nfs/dbraw/zinc/25/76/34/445257634.db2.gz JMISKOYNQSQSHY-HUUCEWRRSA-N 2 1 339.480 1.251 20 0 EDADMP C[C@@H](CN1CCOCC1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348333393 445260119 /nfs/dbraw/zinc/26/01/19/445260119.db2.gz YOZIFGVIPYITPX-YSIASYRMSA-N 2 1 329.488 1.771 20 0 EDADMP C[C@@H](CN1CCOCC1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348333393 445260121 /nfs/dbraw/zinc/26/01/21/445260121.db2.gz YOZIFGVIPYITPX-YSIASYRMSA-N 2 1 329.488 1.771 20 0 EDADMP C[C@@H](CN1CCOCC1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348333393 445260123 /nfs/dbraw/zinc/26/01/23/445260123.db2.gz YOZIFGVIPYITPX-YSIASYRMSA-N 2 1 329.488 1.771 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCc1nc2ccccc2c(=O)[nH]1 ZINC000348552509 445324235 /nfs/dbraw/zinc/32/42/35/445324235.db2.gz LFDYMRUUZAMKSJ-UHFFFAOYSA-N 2 1 343.475 1.447 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)CC2(C)COC2)cc[nH+]1 ZINC000348157356 445292941 /nfs/dbraw/zinc/29/29/41/445292941.db2.gz HPLLFTJXMWKDRA-KGLIPLIRSA-N 2 1 337.443 1.428 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)CC2(C)COC2)cc[nH+]1 ZINC000348157356 445292945 /nfs/dbraw/zinc/29/29/45/445292945.db2.gz HPLLFTJXMWKDRA-KGLIPLIRSA-N 2 1 337.443 1.428 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@@H](C)[C@@H](O)C3)CC2)cc1 ZINC000351812187 445330427 /nfs/dbraw/zinc/33/04/27/445330427.db2.gz PBERSZCWHQJCOF-MJGOQNOKSA-N 2 1 345.487 1.342 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H](C)[C@@H](O)C3)CC2)cc1 ZINC000351812187 445330429 /nfs/dbraw/zinc/33/04/29/445330429.db2.gz PBERSZCWHQJCOF-MJGOQNOKSA-N 2 1 345.487 1.342 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@@H](C)[C@@H](O)C3)CC2)cc1 ZINC000351812187 445330431 /nfs/dbraw/zinc/33/04/31/445330431.db2.gz PBERSZCWHQJCOF-MJGOQNOKSA-N 2 1 345.487 1.342 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 ZINC000351857509 445344845 /nfs/dbraw/zinc/34/48/45/445344845.db2.gz BWEXBAIAVZYKSN-JHJVBQTASA-N 2 1 325.403 1.681 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 ZINC000351857509 445344848 /nfs/dbraw/zinc/34/48/48/445344848.db2.gz BWEXBAIAVZYKSN-JHJVBQTASA-N 2 1 325.403 1.681 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000351860565 445345717 /nfs/dbraw/zinc/34/57/17/445345717.db2.gz JDRNGAWWMCCNRY-VNHYZAJKSA-N 2 1 337.439 1.850 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000351860565 445345719 /nfs/dbraw/zinc/34/57/19/445345719.db2.gz JDRNGAWWMCCNRY-VNHYZAJKSA-N 2 1 337.439 1.850 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)CCCOc2ccc(F)cc2)C1 ZINC000351862446 445346716 /nfs/dbraw/zinc/34/67/16/445346716.db2.gz OZSAXGDERHJTNA-GJZGRUSLSA-N 2 1 337.439 1.722 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)CCCOc2ccc(F)cc2)C1 ZINC000351862446 445346718 /nfs/dbraw/zinc/34/67/18/445346718.db2.gz OZSAXGDERHJTNA-GJZGRUSLSA-N 2 1 337.439 1.722 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000351808795 445328348 /nfs/dbraw/zinc/32/83/48/445328348.db2.gz LPSBFJLNQRSTCO-RDJZCZTQSA-N 2 1 340.512 1.611 20 0 EDADMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc2c(c1)OCO2 ZINC000357084761 445417188 /nfs/dbraw/zinc/41/71/88/445417188.db2.gz JVFCRZGZEITPDC-CQSZACIVSA-N 2 1 331.416 1.675 20 0 EDADMP CC[NH+]1CCN(c2ccccc2CN2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000357050320 445395627 /nfs/dbraw/zinc/39/56/27/445395627.db2.gz MEQTYIQEEYULTC-PKOBYXMFSA-N 2 1 328.504 1.870 20 0 EDADMP C[C@@H]1CCN(C(=O)CCOC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000349032578 445481929 /nfs/dbraw/zinc/48/19/29/445481929.db2.gz XNXRNOFPCNXEIP-MRXNPFEDSA-N 2 1 331.460 1.488 20 0 EDADMP CC[C@H](COC)[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354916298 445433398 /nfs/dbraw/zinc/43/33/98/445433398.db2.gz GJLSYZOCDSZQOE-MJBXVCDLSA-N 2 1 325.432 1.474 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000362554421 445436766 /nfs/dbraw/zinc/43/67/66/445436766.db2.gz XALDKGQOWRGYPZ-OAHLLOKOSA-N 2 1 335.496 1.927 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000362563817 445441538 /nfs/dbraw/zinc/44/15/38/445441538.db2.gz CWWQGZSGTUOZIH-HUUCEWRRSA-N 2 1 331.464 1.435 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)N1CCOCC1 ZINC000355454186 445461267 /nfs/dbraw/zinc/46/12/67/445461267.db2.gz VOOBLCUZYIIWES-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000355454186 445461271 /nfs/dbraw/zinc/46/12/71/445461271.db2.gz VOOBLCUZYIIWES-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP COC[C@]1(CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000357274054 445519537 /nfs/dbraw/zinc/51/95/37/445519537.db2.gz XZBZLCSSFZPEFV-DNVCBOLYSA-N 2 1 331.460 1.318 20 0 EDADMP COC[C@]1(CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000357274054 445519541 /nfs/dbraw/zinc/51/95/41/445519541.db2.gz XZBZLCSSFZPEFV-DNVCBOLYSA-N 2 1 331.460 1.318 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000352489314 445532841 /nfs/dbraw/zinc/53/28/41/445532841.db2.gz ZQELPSFKCAFRIP-ROUUACIJSA-N 2 1 349.450 1.929 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000352489314 445532845 /nfs/dbraw/zinc/53/28/45/445532845.db2.gz ZQELPSFKCAFRIP-ROUUACIJSA-N 2 1 349.450 1.929 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000360026213 445534256 /nfs/dbraw/zinc/53/42/56/445534256.db2.gz XUJWQPCSGQTMGI-HUUCEWRRSA-N 2 1 336.480 1.561 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO)[NH+](C)C1CC1 ZINC000362812763 445561040 /nfs/dbraw/zinc/56/10/40/445561040.db2.gz DUJJIEWBACPHFL-HYVNUMGLSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCC[C@@H]1CO)[N@H+](C)C1CC1 ZINC000362812763 445561041 /nfs/dbraw/zinc/56/10/41/445561041.db2.gz DUJJIEWBACPHFL-HYVNUMGLSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCC[C@@H]1CO)[N@@H+](C)C1CC1 ZINC000362812763 445561042 /nfs/dbraw/zinc/56/10/42/445561042.db2.gz DUJJIEWBACPHFL-HYVNUMGLSA-N 2 1 338.496 1.100 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000353338704 445589959 /nfs/dbraw/zinc/58/99/59/445589959.db2.gz PGBCTYCGBNXBIO-DFNIBXOVSA-N 2 1 331.508 1.743 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)C[NH+]1CCOCC1 ZINC000353522178 445641014 /nfs/dbraw/zinc/64/10/14/445641014.db2.gz FUUSENQJEZNBHP-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP Cc1ccc(NCCCNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)[nH+]c1 ZINC000349722979 445656187 /nfs/dbraw/zinc/65/61/87/445656187.db2.gz NASVADZCMCSLCB-INIZCTEOSA-N 2 1 331.464 2.070 20 0 EDADMP Cc1ccc(NCCCNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)[nH+]c1 ZINC000349722979 445656193 /nfs/dbraw/zinc/65/61/93/445656193.db2.gz NASVADZCMCSLCB-INIZCTEOSA-N 2 1 331.464 2.070 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000353573749 445661983 /nfs/dbraw/zinc/66/19/83/445661983.db2.gz AFLHKKZEMSEFJA-GOSISDBHSA-N 2 1 333.480 1.227 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000356219482 445681948 /nfs/dbraw/zinc/68/19/48/445681948.db2.gz FFIUYVGQZUFRHY-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H](O)C[NH+](C)C ZINC000349804952 445684264 /nfs/dbraw/zinc/68/42/64/445684264.db2.gz UTBPPXXUJRCYQE-CABCVRRESA-N 2 1 347.459 1.354 20 0 EDADMP C[C@@H]1C[C@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[NH2+]1 ZINC000358678355 445711582 /nfs/dbraw/zinc/71/15/82/445711582.db2.gz HPFATSOJTVDIOO-CRAIPNDOSA-N 2 1 331.460 1.523 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)CC(C)C ZINC000349760465 445669974 /nfs/dbraw/zinc/66/99/74/445669974.db2.gz XAMQVWXKOUUEQO-IRXDYDNUSA-N 2 1 341.544 1.288 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000349932474 445724955 /nfs/dbraw/zinc/72/49/55/445724955.db2.gz JEJPJKOFOZMWTB-SFHVURJKSA-N 2 1 346.475 1.235 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000349932474 445724959 /nfs/dbraw/zinc/72/49/59/445724959.db2.gz JEJPJKOFOZMWTB-SFHVURJKSA-N 2 1 346.475 1.235 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000356306660 445727742 /nfs/dbraw/zinc/72/77/42/445727742.db2.gz VHFUTNALMZPAEY-OAGGEKHMSA-N 2 1 326.485 1.079 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000360889444 445738073 /nfs/dbraw/zinc/73/80/73/445738073.db2.gz NTFZFLGJKCMMES-WCXIOVBPSA-N 2 1 336.480 1.118 20 0 EDADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000360889444 445738078 /nfs/dbraw/zinc/73/80/78/445738078.db2.gz NTFZFLGJKCMMES-WCXIOVBPSA-N 2 1 336.480 1.118 20 0 EDADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000360889444 445738082 /nfs/dbraw/zinc/73/80/82/445738082.db2.gz NTFZFLGJKCMMES-WCXIOVBPSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000361104173 445749143 /nfs/dbraw/zinc/74/91/43/445749143.db2.gz PEQYMGWOUWIKIT-LTIDMASMSA-N 2 1 337.508 1.865 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000361104173 445749144 /nfs/dbraw/zinc/74/91/44/445749144.db2.gz PEQYMGWOUWIKIT-LTIDMASMSA-N 2 1 337.508 1.865 20 0 EDADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)OCO2 ZINC000361162574 445750610 /nfs/dbraw/zinc/75/06/10/445750610.db2.gz CTGWWBVJDUXMQL-UKRRQHHQSA-N 2 1 333.432 1.653 20 0 EDADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)OCO2 ZINC000361162574 445750617 /nfs/dbraw/zinc/75/06/17/445750617.db2.gz CTGWWBVJDUXMQL-UKRRQHHQSA-N 2 1 333.432 1.653 20 0 EDADMP CC[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)[NH+](CC)CC ZINC000353779816 445752482 /nfs/dbraw/zinc/75/24/82/445752482.db2.gz KKGPRXYTYBGBTP-ZWKOTPCHSA-N 2 1 338.540 1.735 20 0 EDADMP CN(CC[N@@H+]1CCCOCC1)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000361391368 445763303 /nfs/dbraw/zinc/76/33/03/445763303.db2.gz OZRJTYDXDKOLCF-HKUYNNGSSA-N 2 1 349.523 1.457 20 0 EDADMP CN(CC[N@H+]1CCCOCC1)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000361391368 445763307 /nfs/dbraw/zinc/76/33/07/445763307.db2.gz OZRJTYDXDKOLCF-HKUYNNGSSA-N 2 1 349.523 1.457 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000361391368 445763308 /nfs/dbraw/zinc/76/33/08/445763308.db2.gz OZRJTYDXDKOLCF-HKUYNNGSSA-N 2 1 349.523 1.457 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000361391368 445763312 /nfs/dbraw/zinc/76/33/12/445763312.db2.gz OZRJTYDXDKOLCF-HKUYNNGSSA-N 2 1 349.523 1.457 20 0 EDADMP C[C@@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1=CC[NH+](C)CC1 ZINC000359012502 445887308 /nfs/dbraw/zinc/88/73/08/445887308.db2.gz XDPONMFYLPOHST-MRXNPFEDSA-N 2 1 339.528 1.162 20 0 EDADMP C[C@@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)C1=CC[N@H+](C)CC1 ZINC000359012502 445887313 /nfs/dbraw/zinc/88/73/13/445887313.db2.gz XDPONMFYLPOHST-MRXNPFEDSA-N 2 1 339.528 1.162 20 0 EDADMP C[C@@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)C1=CC[N@@H+](C)CC1 ZINC000359012502 445887318 /nfs/dbraw/zinc/88/73/18/445887318.db2.gz XDPONMFYLPOHST-MRXNPFEDSA-N 2 1 339.528 1.162 20 0 EDADMP C[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000359012502 445887323 /nfs/dbraw/zinc/88/73/23/445887323.db2.gz XDPONMFYLPOHST-MRXNPFEDSA-N 2 1 339.528 1.162 20 0 EDADMP C[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C1=CC[N@@H+](C)CC1 ZINC000359012502 445887325 /nfs/dbraw/zinc/88/73/25/445887325.db2.gz XDPONMFYLPOHST-MRXNPFEDSA-N 2 1 339.528 1.162 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)CCOC)C[C@H]1C ZINC000361752348 445916697 /nfs/dbraw/zinc/91/66/97/445916697.db2.gz WVYBTOSCGHTQGK-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+](C)CCOC)C[C@H]1C ZINC000361752348 445916700 /nfs/dbraw/zinc/91/67/00/445916700.db2.gz WVYBTOSCGHTQGK-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+](C)CCOC)C[C@H]1C ZINC000361752348 445916702 /nfs/dbraw/zinc/91/67/02/445916702.db2.gz WVYBTOSCGHTQGK-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000369146187 445952744 /nfs/dbraw/zinc/95/27/44/445952744.db2.gz WTKONKFWOVKQLK-UHFFFAOYSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000364852144 445962722 /nfs/dbraw/zinc/96/27/22/445962722.db2.gz SFLNEAQSAZCODU-OWCLPIDISA-N 2 1 329.488 1.965 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000356729498 445972208 /nfs/dbraw/zinc/97/22/08/445972208.db2.gz GZFRZLIGNVJWIJ-TZMCWYRMSA-N 2 1 330.436 1.435 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000356729498 445972212 /nfs/dbraw/zinc/97/22/12/445972212.db2.gz GZFRZLIGNVJWIJ-TZMCWYRMSA-N 2 1 330.436 1.435 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000361832031 445988308 /nfs/dbraw/zinc/98/83/08/445988308.db2.gz YRDZTTYZVIXWTR-UHFFFAOYSA-N 2 1 348.491 1.843 20 0 EDADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CCCCO2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000373073976 446008693 /nfs/dbraw/zinc/00/86/93/446008693.db2.gz IKNVDDBBLPAVMI-KZNAEPCWSA-N 2 1 325.497 1.487 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000583129100 326006703 /nfs/dbraw/zinc/00/67/03/326006703.db2.gz UEKCRVPZQQOIAX-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP COc1ccccc1N1CCC([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000583748308 326132073 /nfs/dbraw/zinc/13/20/73/326132073.db2.gz YBXYHLJVSOABNB-QGZVFWFLSA-N 2 1 333.476 1.709 20 0 EDADMP COc1ccccc1N1CCC([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000583748308 326132074 /nfs/dbraw/zinc/13/20/74/326132074.db2.gz YBXYHLJVSOABNB-QGZVFWFLSA-N 2 1 333.476 1.709 20 0 EDADMP [NH3+]C1CCC(OCC(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)CC1 ZINC000583861525 326153904 /nfs/dbraw/zinc/15/39/04/326153904.db2.gz KZMBUPQOCIQMKH-JCYILVPMSA-N 2 1 335.423 1.585 20 0 EDADMP C[N@@H+](C[C@@H](O)CNCc1ccccc1CN1CCOCC1)C1CC1 ZINC000584108116 326200568 /nfs/dbraw/zinc/20/05/68/326200568.db2.gz NFAHMKXCBPGHCR-IBGZPJMESA-N 3 1 333.476 1.064 20 0 EDADMP COC[C@@H]1CCCC[NH+](CC(O)C[N@@H+]2CCCC[C@@H](COC)C2)C1 ZINC000373172449 446072404 /nfs/dbraw/zinc/07/24/04/446072404.db2.gz JBNOZIRSINOGMD-QZTJIDSGSA-N 2 1 342.524 1.844 20 0 EDADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000369323422 446074538 /nfs/dbraw/zinc/07/45/38/446074538.db2.gz XESCZPRYRVBYSQ-JKSUJKDBSA-N 2 1 334.464 1.924 20 0 EDADMP CCc1cccnc1[C@@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000356858473 446076770 /nfs/dbraw/zinc/07/67/70/446076770.db2.gz XROLAXUMTPSTGI-QGZVFWFLSA-N 2 1 334.508 1.685 20 0 EDADMP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351475252 446077737 /nfs/dbraw/zinc/07/77/37/446077737.db2.gz IGORFNQZFYUACW-FHWLQOOXSA-N 2 1 345.487 1.897 20 0 EDADMP CC(C)OCc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351475252 446077742 /nfs/dbraw/zinc/07/77/42/446077742.db2.gz IGORFNQZFYUACW-FHWLQOOXSA-N 2 1 345.487 1.897 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NC[C@H]3CCN(c4ccccc4)C3)C[C@@H]12 ZINC000351480154 446080938 /nfs/dbraw/zinc/08/09/38/446080938.db2.gz UAXYFIIZPJIYGR-PSBWJHGTSA-N 2 1 342.487 1.298 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NC[C@H]3CCN(c4ccccc4)C3)C[C@@H]12 ZINC000351480154 446080946 /nfs/dbraw/zinc/08/09/46/446080946.db2.gz UAXYFIIZPJIYGR-PSBWJHGTSA-N 2 1 342.487 1.298 20 0 EDADMP C[N@H+](CCn1cnc2ccccc2c1=O)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369643594 446138292 /nfs/dbraw/zinc/13/82/92/446138292.db2.gz ZYWVLQVRFUCCID-OAHLLOKOSA-N 2 1 337.427 1.787 20 0 EDADMP C[N@@H+](CCn1cnc2ccccc2c1=O)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369643594 446138299 /nfs/dbraw/zinc/13/82/99/446138299.db2.gz ZYWVLQVRFUCCID-OAHLLOKOSA-N 2 1 337.427 1.787 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000366243197 446101825 /nfs/dbraw/zinc/10/18/25/446101825.db2.gz CUJLERUAXRMYII-PVAVHDDUSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000366243197 446101834 /nfs/dbraw/zinc/10/18/34/446101834.db2.gz CUJLERUAXRMYII-PVAVHDDUSA-N 2 1 338.496 1.412 20 0 EDADMP CS(=O)(=O)c1ccc(OCCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351497909 446102703 /nfs/dbraw/zinc/10/27/03/446102703.db2.gz VIQNNWOXVDJKKM-JQFCIGGWSA-N 2 1 338.473 1.528 20 0 EDADMP CS(=O)(=O)c1ccc(OCCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351497909 446102707 /nfs/dbraw/zinc/10/27/07/446102707.db2.gz VIQNNWOXVDJKKM-JQFCIGGWSA-N 2 1 338.473 1.528 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000359284519 446121044 /nfs/dbraw/zinc/12/10/44/446121044.db2.gz HBUVZPWVUOMYFA-XHSDSOJGSA-N 2 1 340.512 1.164 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000359284519 446121050 /nfs/dbraw/zinc/12/10/50/446121050.db2.gz HBUVZPWVUOMYFA-XHSDSOJGSA-N 2 1 340.512 1.164 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000359284519 446121055 /nfs/dbraw/zinc/12/10/55/446121055.db2.gz HBUVZPWVUOMYFA-XHSDSOJGSA-N 2 1 340.512 1.164 20 0 EDADMP CC(C)C[N@H+]1CCCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000370064675 446180411 /nfs/dbraw/zinc/18/04/11/446180411.db2.gz KFTJLAORYJPVJB-GOSISDBHSA-N 2 1 339.524 1.970 20 0 EDADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000370269803 446206703 /nfs/dbraw/zinc/20/67/03/446206703.db2.gz WHNHHEHBNYQIFJ-MNOVXSKESA-N 2 1 347.394 1.815 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000359412577 446208479 /nfs/dbraw/zinc/20/84/79/446208479.db2.gz GWLGGGMYOLSHAG-YOEHRIQHSA-N 2 1 337.489 1.656 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000373515204 446245850 /nfs/dbraw/zinc/24/58/50/446245850.db2.gz LPUGCGGEUYQWGB-UHFFFAOYSA-N 2 1 341.459 1.881 20 0 EDADMP C[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000373531018 446249923 /nfs/dbraw/zinc/24/99/23/446249923.db2.gz DGFSJRJSYDFHBK-LJQANCHMSA-N 2 1 334.460 1.097 20 0 EDADMP C[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000373531018 446249928 /nfs/dbraw/zinc/24/99/28/446249928.db2.gz DGFSJRJSYDFHBK-LJQANCHMSA-N 2 1 334.460 1.097 20 0 EDADMP C[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000373531018 446249931 /nfs/dbraw/zinc/24/99/31/446249931.db2.gz DGFSJRJSYDFHBK-LJQANCHMSA-N 2 1 334.460 1.097 20 0 EDADMP C[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000373531018 446249934 /nfs/dbraw/zinc/24/99/34/446249934.db2.gz DGFSJRJSYDFHBK-LJQANCHMSA-N 2 1 334.460 1.097 20 0 EDADMP C[NH+](C)CCOc1cnccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000365626594 446279786 /nfs/dbraw/zinc/27/97/86/446279786.db2.gz XSJNRJLKDJXJHV-SJORKVTESA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccc([C@@H]2[C@H](CNC(=O)C[C@H](C[NH3+])OC)CCC[N@H+]2C)cc1 ZINC000365709616 446309519 /nfs/dbraw/zinc/30/95/19/446309519.db2.gz DZUBOXJAOVHALK-KVSKMBFKSA-N 2 1 349.475 1.558 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+]2CCC1CC2 ZINC000373725170 446314235 /nfs/dbraw/zinc/31/42/35/446314235.db2.gz FOLCMFFFXYIJIT-UHFFFAOYSA-N 2 1 342.487 1.111 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)NC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516670 446360406 /nfs/dbraw/zinc/36/04/06/446360406.db2.gz OHUZRCFNNVKCDF-WMZOPIPTSA-N 2 1 348.491 1.605 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000417575599 446365483 /nfs/dbraw/zinc/36/54/83/446365483.db2.gz GHOXPKLNMPWQKZ-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000417629259 446367475 /nfs/dbraw/zinc/36/74/75/446367475.db2.gz SBDLTPABPVHRKX-MAUKXSAKSA-N 2 1 348.466 1.912 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417615428 446367662 /nfs/dbraw/zinc/36/76/62/446367662.db2.gz XLPOBULFQVUMSD-OAHLLOKOSA-N 2 1 326.485 1.115 20 0 EDADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000370643144 446370427 /nfs/dbraw/zinc/37/04/27/446370427.db2.gz IFNIAQUVANTIHE-HVFKPGDCSA-N 2 1 337.508 1.913 20 0 EDADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000370643144 446370432 /nfs/dbraw/zinc/37/04/32/446370432.db2.gz IFNIAQUVANTIHE-HVFKPGDCSA-N 2 1 337.508 1.913 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CN1c1ccccc1F ZINC000423141171 446438990 /nfs/dbraw/zinc/43/89/90/446438990.db2.gz OIBREEQNXYRTOC-XJNFMUPTSA-N 2 1 347.434 1.678 20 0 EDADMP COc1ccc(-c2noc(C[NH+]3CCC(C[NH3+])CC3)n2)c(OC)c1 ZINC000420273367 446443708 /nfs/dbraw/zinc/44/37/08/446443708.db2.gz NICQPCNQEIKYLX-UHFFFAOYSA-N 2 1 332.404 1.925 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000370723721 446404411 /nfs/dbraw/zinc/40/44/11/446404411.db2.gz XNKYJKRCYKCYIL-ROUUACIJSA-N 2 1 349.519 1.964 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417972863 446404539 /nfs/dbraw/zinc/40/45/39/446404539.db2.gz BUPLKIZNGNUGQJ-NJAFHUGGSA-N 2 1 330.476 1.900 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000417986987 446407895 /nfs/dbraw/zinc/40/78/95/446407895.db2.gz HJZYSYQYEDQPGE-JCGIZDLHSA-N 2 1 346.475 1.180 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417985504 446408457 /nfs/dbraw/zinc/40/84/57/446408457.db2.gz FKVMWLSSBFTDCU-QAETUUGQSA-N 2 1 334.508 1.890 20 0 EDADMP CN(CC(C)(C)C[NH3+])C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418001760 446412901 /nfs/dbraw/zinc/41/29/01/446412901.db2.gz XCWODZHDHLGINT-QGZVFWFLSA-N 2 1 348.491 1.380 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000418014358 446416607 /nfs/dbraw/zinc/41/66/07/446416607.db2.gz OEGZCGYDOKQFLV-QAPCUYQASA-N 2 1 330.476 1.900 20 0 EDADMP C[N@H+](C[C@H](O)COc1ccc(F)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366950147 446424370 /nfs/dbraw/zinc/42/43/70/446424370.db2.gz CHBCCZHSYIGSIF-HOCLYGCPSA-N 2 1 333.407 1.956 20 0 EDADMP C[N@@H+](C[C@H](O)COc1ccc(F)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366950147 446424374 /nfs/dbraw/zinc/42/43/74/446424374.db2.gz CHBCCZHSYIGSIF-HOCLYGCPSA-N 2 1 333.407 1.956 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]([NH3+])C(C)C)[C@@H]1c1ccccc1 ZINC000418191590 446453898 /nfs/dbraw/zinc/45/38/98/446453898.db2.gz XKRMRRUIUTULLD-BZSNNMDCSA-N 2 1 348.491 1.731 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]([NH3+])C(C)C)[C@@H]1c1ccccc1 ZINC000418191590 446453904 /nfs/dbraw/zinc/45/39/04/446453904.db2.gz XKRMRRUIUTULLD-BZSNNMDCSA-N 2 1 348.491 1.731 20 0 EDADMP O=C1CNCCN1[C@@H]1CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000420299677 446462128 /nfs/dbraw/zinc/46/21/28/446462128.db2.gz BGHLSRNXAZDQDF-GOSISDBHSA-N 2 1 331.460 1.490 20 0 EDADMP CCn1ccnc1C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420303317 446465756 /nfs/dbraw/zinc/46/57/56/446465756.db2.gz CUEOIMKEEITJLG-IAGOWNOFSA-N 3 1 331.508 1.847 20 0 EDADMP CCn1ccnc1CN(CC[C@H]1CC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420303317 446465763 /nfs/dbraw/zinc/46/57/63/446465763.db2.gz CUEOIMKEEITJLG-IAGOWNOFSA-N 2 1 331.508 1.847 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000420305290 446467659 /nfs/dbraw/zinc/46/76/59/446467659.db2.gz KBCYPWYWECQNOH-WJFTUGDTSA-N 3 1 344.503 1.465 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000420305290 446467661 /nfs/dbraw/zinc/46/76/61/446467661.db2.gz KBCYPWYWECQNOH-WJFTUGDTSA-N 3 1 344.503 1.465 20 0 EDADMP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000420304077 446467931 /nfs/dbraw/zinc/46/79/31/446467931.db2.gz INSJDQIVYYWOMS-BHYGNILZSA-N 2 1 345.443 1.861 20 0 EDADMP CCOC(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000420304077 446467941 /nfs/dbraw/zinc/46/79/41/446467941.db2.gz INSJDQIVYYWOMS-BHYGNILZSA-N 2 1 345.443 1.861 20 0 EDADMP C[N@@H+](CCN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000420311953 446475101 /nfs/dbraw/zinc/47/51/01/446475101.db2.gz HIMSPCBSIIGQST-IBGZPJMESA-N 3 1 330.520 1.736 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418286811 446484568 /nfs/dbraw/zinc/48/45/68/446484568.db2.gz RVTBUOWMDJHSJG-UHFFFAOYSA-N 2 1 340.512 1.790 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418286811 446484572 /nfs/dbraw/zinc/48/45/72/446484572.db2.gz RVTBUOWMDJHSJG-UHFFFAOYSA-N 2 1 340.512 1.790 20 0 EDADMP Cn1ccnc1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000420321069 446487106 /nfs/dbraw/zinc/48/71/06/446487106.db2.gz ZJXUOIKHDMBYJL-IRXDYDNUSA-N 3 1 331.508 1.754 20 0 EDADMP Cn1ccnc1CN(CC[C@@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000420321069 446487109 /nfs/dbraw/zinc/48/71/09/446487109.db2.gz ZJXUOIKHDMBYJL-IRXDYDNUSA-N 2 1 331.508 1.754 20 0 EDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423327351 446489507 /nfs/dbraw/zinc/48/95/07/446489507.db2.gz RJINXWKWEGLWJB-DOTOQJQBSA-N 2 1 340.512 1.009 20 0 EDADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423327351 446489511 /nfs/dbraw/zinc/48/95/11/446489511.db2.gz RJINXWKWEGLWJB-DOTOQJQBSA-N 2 1 340.512 1.009 20 0 EDADMP O=C(NCCC[NH2+]C1CC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418301272 446491912 /nfs/dbraw/zinc/49/19/12/446491912.db2.gz OIRFIFHANAWYIJ-UHFFFAOYSA-N 2 1 330.476 1.698 20 0 EDADMP Cn1ncc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1C(F)(F)F ZINC000420337517 446508146 /nfs/dbraw/zinc/50/81/46/446508146.db2.gz QYCAUIUGXVBOBU-OLZOCXBDSA-N 2 1 332.370 1.767 20 0 EDADMP Cn1cc(C(=O)NCC[N@@H+](C)C2CCCCC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000423346309 446498340 /nfs/dbraw/zinc/49/83/40/446498340.db2.gz ZTCUNLBSKNRMSY-OAHLLOKOSA-N 2 1 347.507 1.881 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1 ZINC000418480385 446559372 /nfs/dbraw/zinc/55/93/72/446559372.db2.gz CIMXAAHSOPEYEP-QLFBSQMISA-N 2 1 334.464 1.303 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423521068 446561075 /nfs/dbraw/zinc/56/10/75/446561075.db2.gz QPLZNMYSIJKVIF-GUYCJALGSA-N 2 1 332.448 2.000 20 0 EDADMP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)N1CCc2ccccc21 ZINC000420389812 446565793 /nfs/dbraw/zinc/56/57/93/446565793.db2.gz PHQNRNJFGCEYRG-AEFFLSMTSA-N 2 1 341.455 1.276 20 0 EDADMP Cc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc(=O)n2c1 ZINC000420346093 446519097 /nfs/dbraw/zinc/51/90/97/446519097.db2.gz XJYNSEFNMCLGIN-JKSUJKDBSA-N 2 1 326.444 1.824 20 0 EDADMP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348266 446523893 /nfs/dbraw/zinc/52/38/93/446523893.db2.gz KKVBUYVPNNBQTP-IEBWSBKVSA-N 2 1 344.503 1.022 20 0 EDADMP CCC[C@H](NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420349322 446524889 /nfs/dbraw/zinc/52/48/89/446524889.db2.gz ONTNQAXCUHLCOL-OALUTQOASA-N 2 1 344.503 1.624 20 0 EDADMP CCC[C@H](NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420349322 446524897 /nfs/dbraw/zinc/52/48/97/446524897.db2.gz ONTNQAXCUHLCOL-OALUTQOASA-N 2 1 344.503 1.624 20 0 EDADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348644 446525139 /nfs/dbraw/zinc/52/51/39/446525139.db2.gz MJDDSUKVVMNEBG-ZBFHGGJFSA-N 2 1 327.432 1.777 20 0 EDADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348644 446525143 /nfs/dbraw/zinc/52/51/43/446525143.db2.gz MJDDSUKVVMNEBG-ZBFHGGJFSA-N 2 1 327.432 1.777 20 0 EDADMP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349293 446525577 /nfs/dbraw/zinc/52/55/77/446525577.db2.gz OIHUSQQXJOXBRY-LSDHHAIUSA-N 2 1 348.516 1.715 20 0 EDADMP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349293 446525580 /nfs/dbraw/zinc/52/55/80/446525580.db2.gz OIHUSQQXJOXBRY-LSDHHAIUSA-N 2 1 348.516 1.715 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433389181 446567361 /nfs/dbraw/zinc/56/73/61/446567361.db2.gz WVFAGKAVZULAPQ-LSDHHAIUSA-N 2 1 334.468 1.007 20 0 EDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000420359931 446539182 /nfs/dbraw/zinc/53/91/82/446539182.db2.gz LFOCIJAARPGBPJ-SMDDNHRTSA-N 2 1 340.265 1.907 20 0 EDADMP O=C(CC[N@H+](Cc1ccc(F)cc1)C1CCOCC1)N1CC[NH2+]CC1 ZINC000420359785 446539943 /nfs/dbraw/zinc/53/99/43/446539943.db2.gz KUYQTNAXJHBDHU-UHFFFAOYSA-N 2 1 349.450 1.629 20 0 EDADMP O=C(CC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1)N1CC[NH2+]CC1 ZINC000420363078 446542437 /nfs/dbraw/zinc/54/24/37/446542437.db2.gz BDAISNWIEXMSFD-KRWDZBQOSA-N 2 1 349.450 1.629 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC000420363677 446545058 /nfs/dbraw/zinc/54/50/58/446545058.db2.gz BUZQXDVFOYVJPV-QGZVFWFLSA-N 2 1 334.460 1.867 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000420370443 446549579 /nfs/dbraw/zinc/54/95/79/446549579.db2.gz VSXKRMQLNVMZNT-FUHWJXTLSA-N 2 1 344.503 1.607 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000418463975 446553843 /nfs/dbraw/zinc/55/38/43/446553843.db2.gz LTSZYAIHXHFFAB-MRXNPFEDSA-N 2 1 339.528 1.315 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)CC1 ZINC000375059963 446554111 /nfs/dbraw/zinc/55/41/11/446554111.db2.gz KZWKTBXFWQJTMT-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000420378950 446554547 /nfs/dbraw/zinc/55/45/47/446554547.db2.gz UUPFJDQGRXNIFC-WMZOPIPTSA-N 2 1 337.487 1.654 20 0 EDADMP CCC[NH2+]CCNC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418468134 446555211 /nfs/dbraw/zinc/55/52/11/446555211.db2.gz GLLAJJVLMWHFMX-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP CCC[NH2+]CCNC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418468134 446555216 /nfs/dbraw/zinc/55/52/16/446555216.db2.gz GLLAJJVLMWHFMX-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418472078 446556208 /nfs/dbraw/zinc/55/62/08/446556208.db2.gz SAEUUICRUIEQEV-SQNIBIBYSA-N 2 1 348.491 1.439 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000433990221 446614096 /nfs/dbraw/zinc/61/40/96/446614096.db2.gz LXKIXJZPNDQWFS-UHFFFAOYSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000433990221 446614100 /nfs/dbraw/zinc/61/41/00/446614100.db2.gz LXKIXJZPNDQWFS-UHFFFAOYSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@H]1CN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CCOC ZINC000418616664 446617035 /nfs/dbraw/zinc/61/70/35/446617035.db2.gz MTKYZLQAKYTYIS-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N(C)C[C@H]2CC[NH+](C)C2)CCCO1 ZINC000433450341 446575359 /nfs/dbraw/zinc/57/53/59/446575359.db2.gz MPPZRIMJUFIPOB-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC000433450341 446575362 /nfs/dbraw/zinc/57/53/62/446575362.db2.gz MPPZRIMJUFIPOB-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC000433450341 446575364 /nfs/dbraw/zinc/57/53/64/446575364.db2.gz MPPZRIMJUFIPOB-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000420403829 446577117 /nfs/dbraw/zinc/57/71/17/446577117.db2.gz RVAMKFHSPQEOGX-TVFCKZIOSA-N 2 1 335.492 1.620 20 0 EDADMP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000420403829 446577122 /nfs/dbraw/zinc/57/71/22/446577122.db2.gz RVAMKFHSPQEOGX-TVFCKZIOSA-N 2 1 335.492 1.620 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N(C)CCOc2ccccc2F)C[C@@H]1C[NH3+] ZINC000420406285 446579435 /nfs/dbraw/zinc/57/94/35/446579435.db2.gz NMGWKURHNGDSPN-GJZGRUSLSA-N 2 1 337.439 1.580 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCOc2ccccc2F)C[C@@H]1C[NH3+] ZINC000420406285 446579443 /nfs/dbraw/zinc/57/94/43/446579443.db2.gz NMGWKURHNGDSPN-GJZGRUSLSA-N 2 1 337.439 1.580 20 0 EDADMP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCC(F)(F)C[NH3+])C1 ZINC000418528508 446581033 /nfs/dbraw/zinc/58/10/33/446581033.db2.gz VONQQDQFSFNPNH-CQSZACIVSA-N 2 1 341.406 1.139 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCC(F)(F)C[NH3+])C1 ZINC000418528508 446581042 /nfs/dbraw/zinc/58/10/42/446581042.db2.gz VONQQDQFSFNPNH-CQSZACIVSA-N 2 1 341.406 1.139 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420407610 446581741 /nfs/dbraw/zinc/58/17/41/446581741.db2.gz USZQMHHNESKFFD-NSHDSACASA-N 2 1 345.365 1.818 20 0 EDADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCC(F)(F)C[NH3+] ZINC000418528703 446582076 /nfs/dbraw/zinc/58/20/76/446582076.db2.gz WISMFBJKRYNJBX-UHFFFAOYSA-N 2 1 332.370 1.493 20 0 EDADMP O=C(NCC1=CC[NH2+]CC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000418547098 446589406 /nfs/dbraw/zinc/58/94/06/446589406.db2.gz XXNLBKBZMKBWQQ-UHFFFAOYSA-N 2 1 346.450 1.963 20 0 EDADMP O=C(NCC1=CC[NH2+]CC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000418547098 446589415 /nfs/dbraw/zinc/58/94/15/446589415.db2.gz XXNLBKBZMKBWQQ-UHFFFAOYSA-N 2 1 346.450 1.963 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418547558 446590044 /nfs/dbraw/zinc/59/00/44/446590044.db2.gz JFMHEURDPZKOGZ-KBAYOESNSA-N 2 1 330.476 1.900 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)c1 ZINC000418592623 446606728 /nfs/dbraw/zinc/60/67/28/446606728.db2.gz LLDSVPMVTSYOMU-SJLPKXTDSA-N 2 1 330.476 1.820 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC[N@H+]1CCOC ZINC000418600448 446609779 /nfs/dbraw/zinc/60/97/79/446609779.db2.gz KVMUCZYBYRSTDX-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP Cc1c[nH]nc1CNCc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1 ZINC000368093480 446637712 /nfs/dbraw/zinc/63/77/12/446637712.db2.gz RNNRLQFKUUCCSO-UHFFFAOYSA-N 2 1 331.468 1.192 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000418702363 446654967 /nfs/dbraw/zinc/65/49/67/446654967.db2.gz DMYTYJKHVHCCSN-CQSZACIVSA-N 2 1 326.391 1.495 20 0 EDADMP CC[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000423638087 446620556 /nfs/dbraw/zinc/62/05/56/446620556.db2.gz DIDVPQUSFHXEMF-MOPGFXCFSA-N 2 1 344.503 1.403 20 0 EDADMP CN1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000371090270 446621021 /nfs/dbraw/zinc/62/10/21/446621021.db2.gz WUETYFZWHTZVGO-KDOFPFPSSA-N 2 1 328.460 1.957 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000371090270 446621029 /nfs/dbraw/zinc/62/10/29/446621029.db2.gz WUETYFZWHTZVGO-KDOFPFPSSA-N 2 1 328.460 1.957 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000371090270 446621034 /nfs/dbraw/zinc/62/10/34/446621034.db2.gz WUETYFZWHTZVGO-KDOFPFPSSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000371090270 446621041 /nfs/dbraw/zinc/62/10/41/446621041.db2.gz WUETYFZWHTZVGO-KDOFPFPSSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000371090270 446621047 /nfs/dbraw/zinc/62/10/47/446621047.db2.gz WUETYFZWHTZVGO-KDOFPFPSSA-N 2 1 328.460 1.957 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCN2CCOCC2(C)C)C1 ZINC000371089789 446621558 /nfs/dbraw/zinc/62/15/58/446621558.db2.gz VBCSDMGUYSUGLR-QGZVFWFLSA-N 2 1 346.475 1.583 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCN2CCOCC2(C)C)C1 ZINC000371089789 446621566 /nfs/dbraw/zinc/62/15/66/446621566.db2.gz VBCSDMGUYSUGLR-QGZVFWFLSA-N 2 1 346.475 1.583 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418645002 446630782 /nfs/dbraw/zinc/63/07/82/446630782.db2.gz VQKMGNVHNREPME-WMZOPIPTSA-N 2 1 330.476 1.999 20 0 EDADMP CN(C)c1ncc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1C ZINC000376736362 446686514 /nfs/dbraw/zinc/68/65/14/446686514.db2.gz SEUSKPDAHJICDQ-PBWFPOADSA-N 2 1 334.468 1.253 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1C ZINC000376736362 446686519 /nfs/dbraw/zinc/68/65/19/446686519.db2.gz SEUSKPDAHJICDQ-PBWFPOADSA-N 2 1 334.468 1.253 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1C ZINC000376736362 446686525 /nfs/dbraw/zinc/68/65/25/446686525.db2.gz SEUSKPDAHJICDQ-PBWFPOADSA-N 2 1 334.468 1.253 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@H+]1CCOC ZINC000418771977 446690198 /nfs/dbraw/zinc/69/01/98/446690198.db2.gz PSDIGZSVLLJPDZ-IAGOWNOFSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000368189634 446696251 /nfs/dbraw/zinc/69/62/51/446696251.db2.gz IYKMFMUODWPCFE-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000371224685 446699822 /nfs/dbraw/zinc/69/98/22/446699822.db2.gz ATEXXAYSPYYQJO-MRXNPFEDSA-N 2 1 335.496 1.562 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000376760262 446703711 /nfs/dbraw/zinc/70/37/11/446703711.db2.gz JNBWFXDUOKJXRQ-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)c1cncc(N(C)C[C@H]2CCC[N@H+]2C)n1 ZINC000420632768 446712417 /nfs/dbraw/zinc/71/24/17/446712417.db2.gz IBGNIAJBJKGWON-HZPDHXFCSA-N 2 1 332.496 1.537 20 0 EDADMP CN(C)c1nc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc[nH+]1 ZINC000436324083 446727511 /nfs/dbraw/zinc/72/75/11/446727511.db2.gz UYGKTYCWNFUEMZ-QGZVFWFLSA-N 2 1 341.459 2.111 20 0 EDADMP CN(C)c1nc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc[nH+]1 ZINC000436324083 446727520 /nfs/dbraw/zinc/72/75/20/446727520.db2.gz UYGKTYCWNFUEMZ-QGZVFWFLSA-N 2 1 341.459 2.111 20 0 EDADMP CN(C)c1nc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc[nH+]1 ZINC000436324082 446728157 /nfs/dbraw/zinc/72/81/57/446728157.db2.gz UYGKTYCWNFUEMZ-KRWDZBQOSA-N 2 1 341.459 2.111 20 0 EDADMP CN(C)c1nc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc[nH+]1 ZINC000436324082 446728164 /nfs/dbraw/zinc/72/81/64/446728164.db2.gz UYGKTYCWNFUEMZ-KRWDZBQOSA-N 2 1 341.459 2.111 20 0 EDADMP CC(C)(C)SCC[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375334457 446730274 /nfs/dbraw/zinc/73/02/74/446730274.db2.gz CIDSTTYANRCCDG-UHFFFAOYSA-N 2 1 329.554 1.858 20 0 EDADMP C[C@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423861971 446732926 /nfs/dbraw/zinc/73/29/26/446732926.db2.gz DUCVGYIEOWVVSI-IDCNUPLLSA-N 2 1 331.460 1.390 20 0 EDADMP C[C@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423861971 446732934 /nfs/dbraw/zinc/73/29/34/446732934.db2.gz DUCVGYIEOWVVSI-IDCNUPLLSA-N 2 1 331.460 1.390 20 0 EDADMP O[C@@H](CC1CCCC1)C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375338241 446734112 /nfs/dbraw/zinc/73/41/12/446734112.db2.gz XFSDJQDUJBDERE-IBGZPJMESA-N 2 1 339.524 1.268 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)C[C@H]3CCCC[C@H]3[NH3+])CC2)cn1 ZINC000423749894 446680262 /nfs/dbraw/zinc/68/02/62/446680262.db2.gz CTNNPSFJOLDEGW-QZTJIDSGSA-N 2 1 347.507 1.845 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)C[C@H]3CCCC[C@H]3[NH3+])CC2)cn1 ZINC000423749894 446680268 /nfs/dbraw/zinc/68/02/68/446680268.db2.gz CTNNPSFJOLDEGW-QZTJIDSGSA-N 2 1 347.507 1.845 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418858043 446756694 /nfs/dbraw/zinc/75/66/94/446756694.db2.gz IJFUHBAFMLHKCW-SJORKVTESA-N 2 1 346.475 1.011 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368373120 446820642 /nfs/dbraw/zinc/82/06/42/446820642.db2.gz FAXMTFGAGPSMDJ-LZLYRXPVSA-N 2 1 331.435 1.858 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424016096 446823340 /nfs/dbraw/zinc/82/33/40/446823340.db2.gz BINFOEQOTFYAIM-UHFFFAOYSA-N 3 1 332.492 1.436 20 0 EDADMP CC(C)[N@H+](C)CC(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424016096 446823347 /nfs/dbraw/zinc/82/33/47/446823347.db2.gz BINFOEQOTFYAIM-UHFFFAOYSA-N 2 1 332.492 1.436 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424016096 446823354 /nfs/dbraw/zinc/82/33/54/446823354.db2.gz BINFOEQOTFYAIM-UHFFFAOYSA-N 2 1 332.492 1.436 20 0 EDADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424018540 446825037 /nfs/dbraw/zinc/82/50/37/446825037.db2.gz JQASDWSMTDUEJV-QZTJIDSGSA-N 2 1 344.503 1.484 20 0 EDADMP C[C@H]1OCC[C@@H]1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371406529 446836442 /nfs/dbraw/zinc/83/64/42/446836442.db2.gz LYKZEROLLHCIJY-QAPCUYQASA-N 2 1 337.508 1.724 20 0 EDADMP CCCCCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425049 446846363 /nfs/dbraw/zinc/84/63/63/446846363.db2.gz QSXADLKBLFBKFR-WMZOPIPTSA-N 2 1 338.540 1.782 20 0 EDADMP CCCCCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425049 446846369 /nfs/dbraw/zinc/84/63/69/446846369.db2.gz QSXADLKBLFBKFR-WMZOPIPTSA-N 2 1 338.540 1.782 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)C[C@H](C)O1 ZINC000423987684 446808156 /nfs/dbraw/zinc/80/81/56/446808156.db2.gz HUUVNOWEBIRNSW-DAYGRLMNSA-N 2 1 347.459 1.014 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)C[C@H](C)O1 ZINC000423987684 446808157 /nfs/dbraw/zinc/80/81/57/446808157.db2.gz HUUVNOWEBIRNSW-DAYGRLMNSA-N 2 1 347.459 1.014 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[NH+](C)C ZINC000424453825 446874780 /nfs/dbraw/zinc/87/47/80/446874780.db2.gz MEPRJHIFNXAWGT-OAGGEKHMSA-N 2 1 334.464 1.867 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424476987 446879522 /nfs/dbraw/zinc/87/95/22/446879522.db2.gz KUFIEGNUNJRTNR-XGXHKWSGSA-N 2 1 342.487 1.900 20 0 EDADMP Cn1cc([C@H]2[C@@H](CNC(=O)c3ccc(C[NH3+])cc3)CCC[N@H+]2C)cn1 ZINC000368478500 446886527 /nfs/dbraw/zinc/88/65/27/446886527.db2.gz SLFYOUKZAREBRV-SJLPKXTDSA-N 2 1 341.459 1.692 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[N@@H+]1C ZINC000412231422 446906447 /nfs/dbraw/zinc/90/64/47/446906447.db2.gz PVSHVGVMGDRRNO-YCPHGPKFSA-N 2 1 325.522 1.755 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NCCCCC[NH+]2CCCC2)n1C ZINC000454638198 446929388 /nfs/dbraw/zinc/92/93/88/446929388.db2.gz BBVCFTMHMITRRJ-UHFFFAOYSA-N 2 1 336.484 1.551 20 0 EDADMP COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420961226 446932221 /nfs/dbraw/zinc/93/22/21/446932221.db2.gz ITYAWNQRHPCCDY-OALUTQOASA-N 2 1 334.460 1.755 20 0 EDADMP COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420961226 446932229 /nfs/dbraw/zinc/93/22/29/446932229.db2.gz ITYAWNQRHPCCDY-OALUTQOASA-N 2 1 334.460 1.755 20 0 EDADMP O[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(C[NH+]5CCOCC5)cc4)[C@H]1[C@H]3C2 ZINC000420964740 446934797 /nfs/dbraw/zinc/93/47/97/446934797.db2.gz OEUDPALETVJEIA-VYJAJWGXSA-N 2 1 328.456 1.720 20 0 EDADMP O[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc(C[NH+]5CCOCC5)cc4)[C@H]1[C@H]3C2 ZINC000420964740 446934807 /nfs/dbraw/zinc/93/48/07/446934807.db2.gz OEUDPALETVJEIA-VYJAJWGXSA-N 2 1 328.456 1.720 20 0 EDADMP C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000375730535 447007879 /nfs/dbraw/zinc/00/78/79/447007879.db2.gz JRHVCLWYMZFQTN-INIZCTEOSA-N 2 1 337.489 1.665 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)N(C)CC[NH3+] ZINC000419216421 447014871 /nfs/dbraw/zinc/01/48/71/447014871.db2.gz PLHSQACMXYNXRN-OAHLLOKOSA-N 2 1 346.475 1.094 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](O)COCC(C)C)CC2)CC1 ZINC000421006485 446981018 /nfs/dbraw/zinc/98/10/18/446981018.db2.gz KBSCOGGAXASSGF-LJQANCHMSA-N 2 1 341.540 1.512 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000419166863 446983851 /nfs/dbraw/zinc/98/38/51/446983851.db2.gz HTLWIOSVXQWAES-XHSDSOJGSA-N 2 1 338.496 1.014 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000372065126 446984813 /nfs/dbraw/zinc/98/48/13/446984813.db2.gz NKEPPEGEWXLKLA-KURKYZTESA-N 2 1 339.524 1.576 20 0 EDADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000372076684 446987925 /nfs/dbraw/zinc/98/79/25/446987925.db2.gz KHXNWNSTKDALJT-WMLDXEAASA-N 2 1 345.491 1.867 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000372076684 446987928 /nfs/dbraw/zinc/98/79/28/446987928.db2.gz KHXNWNSTKDALJT-WMLDXEAASA-N 2 1 345.491 1.867 20 0 EDADMP COC(=O)CN1CCC([NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000368638626 446997306 /nfs/dbraw/zinc/99/73/06/446997306.db2.gz ZUSAKAPLZKGPHU-YLJYHZDGSA-N 2 1 345.487 1.906 20 0 EDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000443062341 447001291 /nfs/dbraw/zinc/00/12/91/447001291.db2.gz ULWDUGJNUPAQML-ROUUACIJSA-N 2 1 344.503 1.690 20 0 EDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000443059572 447001684 /nfs/dbraw/zinc/00/16/84/447001684.db2.gz NDHKWFRDYYFCOZ-KRWDZBQOSA-N 2 1 345.491 1.181 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](CC)C2)[C@@H](C)C1 ZINC000413300661 447124591 /nfs/dbraw/zinc/12/45/91/447124591.db2.gz VOJOWTLGULMHFY-BBWFWOEESA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](CC)C2)[C@@H](C)C1 ZINC000413300661 447124597 /nfs/dbraw/zinc/12/45/97/447124597.db2.gz VOJOWTLGULMHFY-BBWFWOEESA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CC)C2)[C@@H](C)C1 ZINC000413300661 447124603 /nfs/dbraw/zinc/12/46/03/447124603.db2.gz VOJOWTLGULMHFY-BBWFWOEESA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000455221087 447088857 /nfs/dbraw/zinc/08/88/57/447088857.db2.gz FBECFNZEHSPNEK-HNNXBMFYSA-N 2 1 334.464 1.321 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000455221087 447088864 /nfs/dbraw/zinc/08/88/64/447088864.db2.gz FBECFNZEHSPNEK-HNNXBMFYSA-N 2 1 334.464 1.321 20 0 EDADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375907260 447139942 /nfs/dbraw/zinc/13/99/42/447139942.db2.gz XRQMWXDATBCKMB-MSOLQXFVSA-N 2 1 327.513 1.120 20 0 EDADMP COC(=O)c1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)oc1C ZINC000375908766 447141037 /nfs/dbraw/zinc/14/10/37/447141037.db2.gz YLVLPQAZZGBZSI-INIZCTEOSA-N 2 1 349.475 1.975 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)oc1C ZINC000375908766 447141045 /nfs/dbraw/zinc/14/10/45/447141045.db2.gz YLVLPQAZZGBZSI-INIZCTEOSA-N 2 1 349.475 1.975 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000419410107 447158471 /nfs/dbraw/zinc/15/84/71/447158471.db2.gz AIDYOWGNVKRCNO-WCXIOVBPSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419410107 447158479 /nfs/dbraw/zinc/15/84/79/447158479.db2.gz AIDYOWGNVKRCNO-WCXIOVBPSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000419410107 447158487 /nfs/dbraw/zinc/15/84/87/447158487.db2.gz AIDYOWGNVKRCNO-WCXIOVBPSA-N 2 1 340.512 1.203 20 0 EDADMP Cc1ccc([C@H]2CSCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)o1 ZINC000375955956 447173052 /nfs/dbraw/zinc/17/30/52/447173052.db2.gz UNWWTDPWWNVJRC-OAHLLOKOSA-N 2 1 337.489 1.842 20 0 EDADMP Cc1ccc([C@H]2CSCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)o1 ZINC000375955956 447173057 /nfs/dbraw/zinc/17/30/57/447173057.db2.gz UNWWTDPWWNVJRC-OAHLLOKOSA-N 2 1 337.489 1.842 20 0 EDADMP CCC[C@@]1(CO)CC[NH+](CC(O)C[N@@H+]2CC[C@](CO)(CCC)C2)C1 ZINC000377543897 447192585 /nfs/dbraw/zinc/19/25/85/447192585.db2.gz OHNMLANYFWRXBK-RTBURBONSA-N 2 1 342.524 1.316 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000419484283 447214668 /nfs/dbraw/zinc/21/46/68/447214668.db2.gz SVTLGTBWRLQHBI-OWCLPIDISA-N 2 1 338.496 1.001 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419485370 447216514 /nfs/dbraw/zinc/21/65/14/447216514.db2.gz VIWDQINWIGWDAH-HOTGVXAUSA-N 2 1 338.496 1.016 20 0 EDADMP O=C(NCCc1cn2ccccc2n1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377579367 447219938 /nfs/dbraw/zinc/21/99/38/447219938.db2.gz CSMMODYJWDUBBF-CVEARBPZSA-N 2 1 343.431 1.039 20 0 EDADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cn1C ZINC000377648713 447270702 /nfs/dbraw/zinc/27/07/02/447270702.db2.gz LKKMLKVCFODQKD-DJIMGWMZSA-N 2 1 349.475 1.791 20 0 EDADMP CCc1cc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc[nH+]1 ZINC000450314942 447452214 /nfs/dbraw/zinc/45/22/14/447452214.db2.gz VSYYDXGBVIWUOG-IBGZPJMESA-N 2 1 332.492 1.875 20 0 EDADMP C[C@@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@H](C)[N@@H+]1CCO ZINC000458702742 447456825 /nfs/dbraw/zinc/45/68/25/447456825.db2.gz SDNCVGRCYKPIAO-IYBDPMFKSA-N 2 1 340.512 1.205 20 0 EDADMP CCOC(=O)C[C@@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383156566 447465864 /nfs/dbraw/zinc/46/58/64/447465864.db2.gz NAHYQDKBVPVSJG-QZTJIDSGSA-N 2 1 334.460 1.754 20 0 EDADMP CCOC(=O)C[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383156566 447465872 /nfs/dbraw/zinc/46/58/72/447465872.db2.gz NAHYQDKBVPVSJG-QZTJIDSGSA-N 2 1 334.460 1.754 20 0 EDADMP CCOC(=O)C[C@@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383156566 447465878 /nfs/dbraw/zinc/46/58/78/447465878.db2.gz NAHYQDKBVPVSJG-QZTJIDSGSA-N 2 1 334.460 1.754 20 0 EDADMP CCOC(=O)C[C@@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383156566 447465883 /nfs/dbraw/zinc/46/58/83/447465883.db2.gz NAHYQDKBVPVSJG-QZTJIDSGSA-N 2 1 334.460 1.754 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000450352573 447464165 /nfs/dbraw/zinc/46/41/65/447464165.db2.gz ZBUXKPYMINDBDB-GOSISDBHSA-N 2 1 336.524 1.489 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000495442128 447506578 /nfs/dbraw/zinc/50/65/78/447506578.db2.gz BHZPAUWDFMUCMW-VKJFTORMSA-N 2 1 341.496 1.726 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000495442128 447506588 /nfs/dbraw/zinc/50/65/88/447506588.db2.gz BHZPAUWDFMUCMW-VKJFTORMSA-N 2 1 341.496 1.726 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCCCC[NH2+]1 ZINC000391033980 447510021 /nfs/dbraw/zinc/51/00/21/447510021.db2.gz XVSYBLXBBKIQLE-RTBURBONSA-N 2 1 345.487 1.926 20 0 EDADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000427347417 447584260 /nfs/dbraw/zinc/58/42/60/447584260.db2.gz OIRCBRPMOYDZFK-JFIYKMOQSA-N 2 1 337.508 1.819 20 0 EDADMP COC[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000398192911 447555906 /nfs/dbraw/zinc/55/59/06/447555906.db2.gz ZYOPEHHUYDJMGL-KPFFTGBYSA-N 2 1 345.487 1.639 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000457823490 447641517 /nfs/dbraw/zinc/64/15/17/447641517.db2.gz XRPWQTOGMGEFLZ-CVEARBPZSA-N 2 1 328.501 1.109 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000428423764 447698785 /nfs/dbraw/zinc/69/87/85/447698785.db2.gz RGTWVAFINLCZBI-DAYGRLMNSA-N 2 1 331.460 1.730 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000428423764 447698791 /nfs/dbraw/zinc/69/87/91/447698791.db2.gz RGTWVAFINLCZBI-DAYGRLMNSA-N 2 1 331.460 1.730 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000416910558 447706828 /nfs/dbraw/zinc/70/68/28/447706828.db2.gz AOQRBWNYFYRMOA-LVQVYYBASA-N 2 1 340.512 1.691 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NC(C)(C)CC[NH3+])[C@@H]1c1ccccc1 ZINC000422612903 447670098 /nfs/dbraw/zinc/67/00/98/447670098.db2.gz CCWFDWDYDJZGSA-IRXDYDNUSA-N 2 1 348.491 1.875 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)NC(C)(C)CC[NH3+])[C@@H]1c1ccccc1 ZINC000422612903 447670102 /nfs/dbraw/zinc/67/01/02/447670102.db2.gz CCWFDWDYDJZGSA-IRXDYDNUSA-N 2 1 348.491 1.875 20 0 EDADMP COCC[NH2+]CCNc1cc[nH+]c(N[C@@H]2CCCO[C@@H]2C(C)C)n1 ZINC000420220881 447676123 /nfs/dbraw/zinc/67/61/23/447676123.db2.gz WQJVZKFPXDIPNQ-GDBMZVCRSA-N 2 1 337.468 1.740 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000457943902 447680665 /nfs/dbraw/zinc/68/06/65/447680665.db2.gz SWRNYYUAWKRUGB-VQHPVUNQSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000457943902 447680672 /nfs/dbraw/zinc/68/06/72/447680672.db2.gz SWRNYYUAWKRUGB-VQHPVUNQSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000457943902 447680676 /nfs/dbraw/zinc/68/06/76/447680676.db2.gz SWRNYYUAWKRUGB-VQHPVUNQSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)C[N@H+]1CCO ZINC000416759188 447685226 /nfs/dbraw/zinc/68/52/26/447685226.db2.gz MIWKGTPQUDGTTQ-CABCVRRESA-N 2 1 334.464 1.667 20 0 EDADMP CCCN(C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000416935281 447714933 /nfs/dbraw/zinc/71/49/33/447714933.db2.gz GCGDAOZVYPDCCZ-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@H](C[NH3+])C2CCCCC2)C[C@H](C)O1 ZINC000416936509 447715219 /nfs/dbraw/zinc/71/52/19/447715219.db2.gz BUHZFNPJUXESHM-HLLBOEOZSA-N 2 1 340.512 1.693 20 0 EDADMP CC(C)C[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000416941998 447718714 /nfs/dbraw/zinc/71/87/14/447718714.db2.gz RFBHDEDRUVXSMA-HZPDHXFCSA-N 2 1 326.485 1.175 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H](C)CCCC[NH3+])N1CC[NH+](C)CC1 ZINC000416955288 447726398 /nfs/dbraw/zinc/72/63/98/447726398.db2.gz MEBPBACUDNORPQ-HOTGVXAUSA-N 2 1 327.517 1.075 20 0 EDADMP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417272733 447740529 /nfs/dbraw/zinc/74/05/29/447740529.db2.gz VJORVAVWGOHEPR-IIDMSEBBSA-N 2 1 346.475 1.538 20 0 EDADMP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417272733 447740534 /nfs/dbraw/zinc/74/05/34/447740534.db2.gz VJORVAVWGOHEPR-IIDMSEBBSA-N 2 1 346.475 1.538 20 0 EDADMP c1ccc(CN2CCN(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000422759004 447741160 /nfs/dbraw/zinc/74/11/60/447741160.db2.gz FHKCGTLQVFBYOS-YOFSQIOKSA-N 2 1 328.504 1.677 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000459696338 447743014 /nfs/dbraw/zinc/74/30/14/447743014.db2.gz DNHKRCZBLXDUHO-LJQANCHMSA-N 2 1 333.476 1.148 20 0 EDADMP CN(c1ccccc1C[N@H+]1C[C@H](O)[C@@H](CO)C1)C1CC[NH+](C)CC1 ZINC000459711179 447748261 /nfs/dbraw/zinc/74/82/61/447748261.db2.gz QSENWFVHOKWVTI-APWZRJJASA-N 2 1 333.476 1.002 20 0 EDADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458333253 447771484 /nfs/dbraw/zinc/77/14/84/447771484.db2.gz AVXVKGOYTNQAOD-ZACQAIPSSA-N 2 1 340.512 1.395 20 0 EDADMP CN(C[C@@](C)(O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C(=O)OC(C)(C)C ZINC000496425305 447777986 /nfs/dbraw/zinc/77/79/86/447777986.db2.gz OVHYVRDOQPNCNA-YJBOKZPZSA-N 2 1 343.512 1.878 20 0 EDADMP CN(C[C@@](C)(O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C(=O)OC(C)(C)C ZINC000496425305 447777989 /nfs/dbraw/zinc/77/79/89/447777989.db2.gz OVHYVRDOQPNCNA-YJBOKZPZSA-N 2 1 343.512 1.878 20 0 EDADMP CN(C[C@@](C)(O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C(=O)OC(C)(C)C ZINC000496425305 447777991 /nfs/dbraw/zinc/77/79/91/447777991.db2.gz OVHYVRDOQPNCNA-YJBOKZPZSA-N 2 1 343.512 1.878 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1OC ZINC000430563623 447779833 /nfs/dbraw/zinc/77/98/33/447779833.db2.gz JNSYKYKHFVMUEF-CABCVRRESA-N 2 1 349.475 1.721 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1OC ZINC000430563623 447779835 /nfs/dbraw/zinc/77/98/35/447779835.db2.gz JNSYKYKHFVMUEF-CABCVRRESA-N 2 1 349.475 1.721 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)CC[NH2+]CC1 ZINC000422957843 447780641 /nfs/dbraw/zinc/78/06/41/447780641.db2.gz OGSBSGAPAKROCH-GJZGRUSLSA-N 3 1 336.480 1.739 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000430591265 447781402 /nfs/dbraw/zinc/78/14/02/447781402.db2.gz AIUIMWJYTQRYHL-LJQANCHMSA-N 2 1 346.519 1.636 20 0 EDADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[N@@H+](C2CCC2)C1 ZINC000487524710 447834203 /nfs/dbraw/zinc/83/42/03/447834203.db2.gz YICDCRSMVBFPMO-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CC[N@H+](C2CCC2)C1 ZINC000487524710 447834205 /nfs/dbraw/zinc/83/42/05/447834205.db2.gz YICDCRSMVBFPMO-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000530307159 447857295 /nfs/dbraw/zinc/85/72/95/447857295.db2.gz ZSTDFQJVEYQHQA-GOSISDBHSA-N 2 1 328.460 1.672 20 0 EDADMP O=C(NCC[NH+]1CC=CCC1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000530307159 447857299 /nfs/dbraw/zinc/85/72/99/447857299.db2.gz ZSTDFQJVEYQHQA-GOSISDBHSA-N 2 1 328.460 1.672 20 0 EDADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000496728585 447860651 /nfs/dbraw/zinc/86/06/51/447860651.db2.gz VRSCHMWEVFNHFA-MSOLQXFVSA-N 2 1 341.496 1.680 20 0 EDADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000496728585 447860652 /nfs/dbraw/zinc/86/06/52/447860652.db2.gz VRSCHMWEVFNHFA-MSOLQXFVSA-N 2 1 341.496 1.680 20 0 EDADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000496728585 447860654 /nfs/dbraw/zinc/86/06/54/447860654.db2.gz VRSCHMWEVFNHFA-MSOLQXFVSA-N 2 1 341.496 1.680 20 0 EDADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574957 447864901 /nfs/dbraw/zinc/86/49/01/447864901.db2.gz TXYRIOCTCCULIF-YDRHNJASSA-N 2 1 334.508 1.841 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574957 447864905 /nfs/dbraw/zinc/86/49/05/447864905.db2.gz TXYRIOCTCCULIF-YDRHNJASSA-N 2 1 334.508 1.841 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574957 447864909 /nfs/dbraw/zinc/86/49/09/447864909.db2.gz TXYRIOCTCCULIF-YDRHNJASSA-N 2 1 334.508 1.841 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000490436337 447893191 /nfs/dbraw/zinc/89/31/91/447893191.db2.gz FQDPCZUMJLZUBO-OAHLLOKOSA-N 2 1 331.526 1.464 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)[NH+]1CC(C)C1 ZINC000552844475 447959198 /nfs/dbraw/zinc/95/91/98/447959198.db2.gz XXYOREBRHRBYEN-FUHWJXTLSA-N 2 1 331.460 1.344 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496886157 448001800 /nfs/dbraw/zinc/00/18/00/448001800.db2.gz AIKQYRZDGJSZQQ-YOEHRIQHSA-N 2 1 335.448 1.949 20 0 EDADMP CCN(C)C[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496886157 448001804 /nfs/dbraw/zinc/00/18/04/448001804.db2.gz AIKQYRZDGJSZQQ-YOEHRIQHSA-N 2 1 335.448 1.949 20 0 EDADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496886157 448001809 /nfs/dbraw/zinc/00/18/09/448001809.db2.gz AIKQYRZDGJSZQQ-YOEHRIQHSA-N 2 1 335.448 1.949 20 0 EDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000497286432 448041100 /nfs/dbraw/zinc/04/11/00/448041100.db2.gz XNOHHBMYRMBVOE-CPUCHLNUSA-N 2 1 327.469 1.431 20 0 EDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000497286432 448041102 /nfs/dbraw/zinc/04/11/02/448041102.db2.gz XNOHHBMYRMBVOE-CPUCHLNUSA-N 2 1 327.469 1.431 20 0 EDADMP CC(C)C[C@@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000531294582 448056549 /nfs/dbraw/zinc/05/65/49/448056549.db2.gz OWZLYRHRHMQGAL-AZUAARDMSA-N 2 1 347.503 1.716 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000571078037 448107228 /nfs/dbraw/zinc/10/72/28/448107228.db2.gz CGQDARRPMMUSLR-VKJFTORMSA-N 2 1 331.460 1.522 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000571078037 448107232 /nfs/dbraw/zinc/10/72/32/448107232.db2.gz CGQDARRPMMUSLR-VKJFTORMSA-N 2 1 331.460 1.522 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531570049 448108011 /nfs/dbraw/zinc/10/80/11/448108011.db2.gz TUNKJUAPZCBXDI-XFQXTVEOSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531570049 448108014 /nfs/dbraw/zinc/10/80/14/448108014.db2.gz TUNKJUAPZCBXDI-XFQXTVEOSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531570049 448108018 /nfs/dbraw/zinc/10/80/18/448108018.db2.gz TUNKJUAPZCBXDI-XFQXTVEOSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)Cn3cccn3)c2)CCO1 ZINC000571316364 448137108 /nfs/dbraw/zinc/13/71/08/448137108.db2.gz WNUNGDHXRCRQCV-APWZRJJASA-N 2 1 344.459 1.255 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)Cn3cccn3)c2)CCO1 ZINC000571316364 448137112 /nfs/dbraw/zinc/13/71/12/448137112.db2.gz WNUNGDHXRCRQCV-APWZRJJASA-N 2 1 344.459 1.255 20 0 EDADMP C[NH+](C)C/C=C\C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000491845701 448139143 /nfs/dbraw/zinc/13/91/43/448139143.db2.gz JWQAURSEWORVFY-POHAHGRESA-N 2 1 344.459 1.521 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/C1CCOCC1 ZINC000491882834 448142629 /nfs/dbraw/zinc/14/26/29/448142629.db2.gz KOQFVRMUHRKREN-DVBCCOPCSA-N 2 1 337.508 1.844 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000514776520 448201114 /nfs/dbraw/zinc/20/11/14/448201114.db2.gz RGMFLDNEZKOTLP-ROUUACIJSA-N 2 1 349.450 1.675 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000514776520 448201117 /nfs/dbraw/zinc/20/11/17/448201117.db2.gz RGMFLDNEZKOTLP-ROUUACIJSA-N 2 1 349.450 1.675 20 0 EDADMP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@@H](O)CN2CCN(C)CC2)cc1 ZINC000577362449 448274861 /nfs/dbraw/zinc/27/48/61/448274861.db2.gz PFNOKMBRNHHYRU-HXUWFJFHSA-N 2 1 348.535 1.226 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)c1ccccc1 ZINC000591459411 448371931 /nfs/dbraw/zinc/37/19/31/448371931.db2.gz GYNRRVNMWWYNRV-MSOLQXFVSA-N 2 1 333.476 1.764 20 0 EDADMP COCC[NH+](C)CC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000591459411 448371938 /nfs/dbraw/zinc/37/19/38/448371938.db2.gz GYNRRVNMWWYNRV-MSOLQXFVSA-N 2 1 333.476 1.764 20 0 EDADMP COCC[NH+](C)CC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000591459411 448371944 /nfs/dbraw/zinc/37/19/44/448371944.db2.gz GYNRRVNMWWYNRV-MSOLQXFVSA-N 2 1 333.476 1.764 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)n(C)n3)CC2)CC1 ZINC000565181582 448359234 /nfs/dbraw/zinc/35/92/34/448359234.db2.gz JUOVFODDNHNDKA-UHFFFAOYSA-N 2 1 333.480 1.863 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccccc1 ZINC000577759277 448382220 /nfs/dbraw/zinc/38/22/20/448382220.db2.gz YSMPMGCZBFFPJS-PKOBYXMFSA-N 2 1 331.460 1.252 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C2)CC1 ZINC000577861429 448406030 /nfs/dbraw/zinc/40/60/30/448406030.db2.gz ZTIDGCSLDGPYTI-IAGOWNOFSA-N 2 1 336.524 1.486 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000516645255 448454317 /nfs/dbraw/zinc/45/43/17/448454317.db2.gz QOKYMYQQUWUFBP-VQTJNVASSA-N 2 1 333.520 1.972 20 0 EDADMP CCCNC(=O)CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000566426601 448467860 /nfs/dbraw/zinc/46/78/60/448467860.db2.gz VGMZXZYRKHNZJV-SJPCQFCGSA-N 2 1 325.497 1.866 20 0 EDADMP CCCNC(=O)CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000566426601 448467864 /nfs/dbraw/zinc/46/78/64/448467864.db2.gz VGMZXZYRKHNZJV-SJPCQFCGSA-N 2 1 325.497 1.866 20 0 EDADMP CCCNC(=O)CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000566426601 448467869 /nfs/dbraw/zinc/46/78/69/448467869.db2.gz VGMZXZYRKHNZJV-SJPCQFCGSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000572855471 448482565 /nfs/dbraw/zinc/48/25/65/448482565.db2.gz ZQJLWOBXDYSYJU-UONOGXRCSA-N 2 1 336.505 1.794 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000572855471 448482571 /nfs/dbraw/zinc/48/25/71/448482571.db2.gz ZQJLWOBXDYSYJU-UONOGXRCSA-N 2 1 336.505 1.794 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1c[nH+]ccc1N ZINC000572989747 448516942 /nfs/dbraw/zinc/51/69/42/448516942.db2.gz DQPAAFZVVSQKHJ-LSDHHAIUSA-N 2 1 340.427 1.825 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000578333461 448519796 /nfs/dbraw/zinc/51/97/96/448519796.db2.gz RPFNOIDASNMHAN-BZUAXINKSA-N 2 1 326.485 1.031 20 0 EDADMP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000584459605 448534033 /nfs/dbraw/zinc/53/40/33/448534033.db2.gz ZWTIDZKXFZSTKD-UAGQMJEPSA-N 2 1 336.480 1.151 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000517019460 448523814 /nfs/dbraw/zinc/52/38/14/448523814.db2.gz GDBARKAQCVORSR-RYQLBKOJSA-N 2 1 330.476 1.855 20 0 EDADMP O[C@]1(C(F)F)CC[NH+](CCCC[N@@H+]2CC[C@](O)(C(F)F)C2)C1 ZINC000578485263 448557123 /nfs/dbraw/zinc/55/71/23/448557123.db2.gz MUWRUFLDLLTZTA-ZIAGYGMSSA-N 2 1 328.350 1.170 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000584539352 448564315 /nfs/dbraw/zinc/56/43/15/448564315.db2.gz PUJDBZZCZUKUHQ-KRWDZBQOSA-N 2 1 339.524 1.924 20 0 EDADMP COCCOC[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000517295095 448569437 /nfs/dbraw/zinc/56/94/37/448569437.db2.gz OAZOBNPMUNIJGH-OAHLLOKOSA-N 2 1 337.395 1.433 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H](O)CC3)CC2)CC1 ZINC000578521637 448570177 /nfs/dbraw/zinc/57/01/77/448570177.db2.gz ZCDVFKCCZZHRLC-SFHVURJKSA-N 2 1 337.508 1.556 20 0 EDADMP COc1cc2c(cc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000517165629 448546849 /nfs/dbraw/zinc/54/68/49/448546849.db2.gz MJPWFJIULUMWOF-AWEZNQCLSA-N 2 1 347.459 1.272 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000584519468 448553810 /nfs/dbraw/zinc/55/38/10/448553810.db2.gz OUHYKWPGOCEIHG-HYVNUMGLSA-N 2 1 332.448 1.019 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000518032341 448640854 /nfs/dbraw/zinc/64/08/54/448640854.db2.gz UZWXLGDOECLMAT-ZWKOTPCHSA-N 2 1 330.476 1.846 20 0 EDADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000584860326 448659462 /nfs/dbraw/zinc/65/94/62/448659462.db2.gz BILGYRSCEBKHRD-HOTGVXAUSA-N 2 1 343.537 1.655 20 0 EDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000584860326 448659471 /nfs/dbraw/zinc/65/94/71/448659471.db2.gz BILGYRSCEBKHRD-HOTGVXAUSA-N 2 1 343.537 1.655 20 0 EDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000584860326 448659477 /nfs/dbraw/zinc/65/94/77/448659477.db2.gz BILGYRSCEBKHRD-HOTGVXAUSA-N 2 1 343.537 1.655 20 0 EDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000584860326 448659483 /nfs/dbraw/zinc/65/94/83/448659483.db2.gz BILGYRSCEBKHRD-HOTGVXAUSA-N 2 1 343.537 1.655 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000541243445 448670206 /nfs/dbraw/zinc/67/02/06/448670206.db2.gz IVUBOAIUSYVKPM-INIZCTEOSA-N 2 1 325.497 1.534 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC1 ZINC000528780085 448672917 /nfs/dbraw/zinc/67/29/17/448672917.db2.gz BKJYGUBCXDPXFL-JLHGSKIFSA-N 2 1 327.538 1.388 20 0 EDADMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1ccccc1F ZINC000578770702 448634533 /nfs/dbraw/zinc/63/45/33/448634533.db2.gz ZLVFJNJSDDJIDX-HNNXBMFYSA-N 2 1 326.412 1.002 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H]([C@@H](C)O)C3)CC2)CC1 ZINC000518741534 448704108 /nfs/dbraw/zinc/70/41/08/448704108.db2.gz ARUYGYBDEBEZIL-NVXWUHKLSA-N 2 1 337.508 1.412 20 0 EDADMP C[C@@H]1CN(C[C@@H](O)C[N@H+]2CCN(C)C3(CCCCC3)C2)C[C@@H](C)O1 ZINC000573979180 448761248 /nfs/dbraw/zinc/76/12/48/448761248.db2.gz LSGUQJURJHBORZ-KURKYZTESA-N 2 1 339.524 1.407 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000592198300 448735756 /nfs/dbraw/zinc/73/57/56/448735756.db2.gz ORYDQYPJKYYCPS-WBVHZDCISA-N 2 1 347.459 1.562 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@H](C)C1 ZINC000519407781 448768336 /nfs/dbraw/zinc/76/83/36/448768336.db2.gz ZOOFNJGWOFCQBC-NEWSRXKRSA-N 2 1 347.503 1.810 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+]1CCC(C)CC1 ZINC000545883142 448803885 /nfs/dbraw/zinc/80/38/85/448803885.db2.gz OXUJLUZNLNLVDH-SJLPKXTDSA-N 2 1 340.512 1.109 20 0 EDADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567911835 448781643 /nfs/dbraw/zinc/78/16/43/448781643.db2.gz DCLUWNXCPBQJEF-IBGZPJMESA-N 2 1 344.503 1.214 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000547464595 448883935 /nfs/dbraw/zinc/88/39/35/448883935.db2.gz ZZARKQNZJONKAA-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000547464595 448883939 /nfs/dbraw/zinc/88/39/39/448883939.db2.gz ZZARKQNZJONKAA-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000547464595 448883943 /nfs/dbraw/zinc/88/39/43/448883943.db2.gz ZZARKQNZJONKAA-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC[C@@H]1[NH3+] ZINC000592487916 448858581 /nfs/dbraw/zinc/85/85/81/448858581.db2.gz BYJYCBNDRWBZSW-UNEWFSDZSA-N 2 1 347.459 1.537 20 0 EDADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC[C@@H]1[NH3+] ZINC000592487916 448858585 /nfs/dbraw/zinc/85/85/85/448858585.db2.gz BYJYCBNDRWBZSW-UNEWFSDZSA-N 2 1 347.459 1.537 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000574529762 448897299 /nfs/dbraw/zinc/89/72/99/448897299.db2.gz ZWKIFMGIGQJLMW-KRWDZBQOSA-N 2 1 336.524 1.395 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000574636134 448921455 /nfs/dbraw/zinc/92/14/55/448921455.db2.gz IEHFRHJJVXYSKI-SFHVURJKSA-N 2 1 333.476 1.782 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000574636134 448921456 /nfs/dbraw/zinc/92/14/56/448921456.db2.gz IEHFRHJJVXYSKI-SFHVURJKSA-N 2 1 333.476 1.782 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000547736386 448921855 /nfs/dbraw/zinc/92/18/55/448921855.db2.gz NOXSUSRQXRSPNB-MRXNPFEDSA-N 2 1 339.524 1.945 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000547736386 448921861 /nfs/dbraw/zinc/92/18/61/448921861.db2.gz NOXSUSRQXRSPNB-MRXNPFEDSA-N 2 1 339.524 1.945 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547736386 448921866 /nfs/dbraw/zinc/92/18/66/448921866.db2.gz NOXSUSRQXRSPNB-MRXNPFEDSA-N 2 1 339.524 1.945 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000579969071 448925711 /nfs/dbraw/zinc/92/57/11/448925711.db2.gz BVFOVMNUJROLAZ-AWEZNQCLSA-N 2 1 332.448 1.857 20 0 EDADMP Cc1[nH]nc2ncc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)cc12 ZINC000569200000 448977150 /nfs/dbraw/zinc/97/71/50/448977150.db2.gz JVYDESQXGSZWAQ-UHFFFAOYSA-N 2 1 328.464 1.572 20 0 EDADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)COCc1ccc(Cl)cc1 ZINC000582122494 449017887 /nfs/dbraw/zinc/01/78/87/449017887.db2.gz PZMJIGQLULSWHS-IRXDYDNUSA-N 2 1 342.867 1.264 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592961578 449085114 /nfs/dbraw/zinc/08/51/14/449085114.db2.gz OYKSVEKDYSNUNU-XHSDSOJGSA-N 2 1 345.491 1.808 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239867 449091090 /nfs/dbraw/zinc/09/10/90/449091090.db2.gz ILTYJRZPGCULGC-UYAOXDASSA-N 2 1 347.503 1.828 20 0 EDADMP COc1ccc([C@H](CN)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239867 449091092 /nfs/dbraw/zinc/09/10/92/449091092.db2.gz ILTYJRZPGCULGC-UYAOXDASSA-N 2 1 347.503 1.828 20 0 EDADMP CSCc1cccnc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597941856 449151086 /nfs/dbraw/zinc/15/10/86/449151086.db2.gz FBDGRCOOXCQECK-AWEZNQCLSA-N 2 1 338.521 1.946 20 0 EDADMP CSCc1cccnc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597941856 449151088 /nfs/dbraw/zinc/15/10/88/449151088.db2.gz FBDGRCOOXCQECK-AWEZNQCLSA-N 2 1 338.521 1.946 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000590563931 449191869 /nfs/dbraw/zinc/19/18/69/449191869.db2.gz AWTUTCJBRAXJHG-CVEARBPZSA-N 2 1 343.537 1.383 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000601955120 449243588 /nfs/dbraw/zinc/24/35/88/449243588.db2.gz SLNLFAXIUGORJO-AZUAARDMSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000601955120 449243592 /nfs/dbraw/zinc/24/35/92/449243592.db2.gz SLNLFAXIUGORJO-AZUAARDMSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000601955120 449243599 /nfs/dbraw/zinc/24/35/99/449243599.db2.gz SLNLFAXIUGORJO-AZUAARDMSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000601955120 449243605 /nfs/dbraw/zinc/24/36/05/449243605.db2.gz SLNLFAXIUGORJO-AZUAARDMSA-N 2 1 346.471 1.899 20 0 EDADMP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c21 ZINC000595958610 449282403 /nfs/dbraw/zinc/28/24/03/449282403.db2.gz FQSTYERZMJXACS-IMJJTQAJSA-N 2 1 331.464 1.466 20 0 EDADMP C[NH+]1CC2(C1)CCN(C(=O)c1cnn(-c3cc[nH+]cc3)c1C(F)F)C2 ZINC000614033852 449423574 /nfs/dbraw/zinc/42/35/74/449423574.db2.gz CHVVAYKCGVAFGK-UHFFFAOYSA-N 2 1 347.369 1.983 20 0 EDADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000606358412 449453579 /nfs/dbraw/zinc/45/35/79/449453579.db2.gz FEIBDJJYBLDQHE-INIZCTEOSA-N 2 1 332.448 2.000 20 0 EDADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000606358412 449453584 /nfs/dbraw/zinc/45/35/84/449453584.db2.gz FEIBDJJYBLDQHE-INIZCTEOSA-N 2 1 332.448 2.000 20 0 EDADMP C[S@@](=O)Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000594525647 449562478 /nfs/dbraw/zinc/56/24/78/449562478.db2.gz XUNGPGDKOILOFQ-WZONZLPQSA-N 2 1 336.501 1.908 20 0 EDADMP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607340069 449597610 /nfs/dbraw/zinc/59/76/10/449597610.db2.gz AKQPOTRVQYFYJN-OALUTQOASA-N 2 1 343.471 1.488 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607340069 449597616 /nfs/dbraw/zinc/59/76/16/449597616.db2.gz AKQPOTRVQYFYJN-OALUTQOASA-N 2 1 343.471 1.488 20 0 EDADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607340069 449597620 /nfs/dbraw/zinc/59/76/20/449597620.db2.gz AKQPOTRVQYFYJN-OALUTQOASA-N 2 1 343.471 1.488 20 0 EDADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607340069 449597626 /nfs/dbraw/zinc/59/76/26/449597626.db2.gz AKQPOTRVQYFYJN-OALUTQOASA-N 2 1 343.471 1.488 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000607409774 449611390 /nfs/dbraw/zinc/61/13/90/449611390.db2.gz MISFOEKDGDIREC-PKOBYXMFSA-N 2 1 346.475 1.017 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000607409774 449611398 /nfs/dbraw/zinc/61/13/98/449611398.db2.gz MISFOEKDGDIREC-PKOBYXMFSA-N 2 1 346.475 1.017 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000607409774 449611407 /nfs/dbraw/zinc/61/14/07/449611407.db2.gz MISFOEKDGDIREC-PKOBYXMFSA-N 2 1 346.475 1.017 20 0 EDADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000600967538 449621457 /nfs/dbraw/zinc/62/14/57/449621457.db2.gz ONPZWILAHRSFFT-FUHWJXTLSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000600967538 449621462 /nfs/dbraw/zinc/62/14/62/449621462.db2.gz ONPZWILAHRSFFT-FUHWJXTLSA-N 2 1 330.476 1.186 20 0 EDADMP Cc1nc2ccccc2n1CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504920 449649449 /nfs/dbraw/zinc/64/94/49/449649449.db2.gz PIYHWHMPWTYVSW-HNNXBMFYSA-N 2 1 345.491 1.733 20 0 EDADMP Cc1nc2ccccc2n1CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504920 449649458 /nfs/dbraw/zinc/64/94/58/449649458.db2.gz PIYHWHMPWTYVSW-HNNXBMFYSA-N 2 1 345.491 1.733 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000614506439 449654368 /nfs/dbraw/zinc/65/43/68/449654368.db2.gz XQQSGKRPOLESDA-OALUTQOASA-N 2 1 342.487 1.015 20 0 EDADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614506439 449654372 /nfs/dbraw/zinc/65/43/72/449654372.db2.gz XQQSGKRPOLESDA-OALUTQOASA-N 2 1 342.487 1.015 20 0 EDADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000614506439 449654377 /nfs/dbraw/zinc/65/43/77/449654377.db2.gz XQQSGKRPOLESDA-OALUTQOASA-N 2 1 342.487 1.015 20 0 EDADMP CC(C)Oc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000617506550 449656159 /nfs/dbraw/zinc/65/61/59/449656159.db2.gz RYVGCAMCZXSGNI-HNNXBMFYSA-N 2 1 336.480 1.871 20 0 EDADMP CC(C)Oc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617506550 449656164 /nfs/dbraw/zinc/65/61/64/449656164.db2.gz RYVGCAMCZXSGNI-HNNXBMFYSA-N 2 1 336.480 1.871 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000600991715 449638656 /nfs/dbraw/zinc/63/86/56/449638656.db2.gz DDSMPSNSLPXNTF-QGZVFWFLSA-N 2 1 346.475 1.079 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000602508014 449639452 /nfs/dbraw/zinc/63/94/52/449639452.db2.gz YSWJBGVPFCQNNG-HOTGVXAUSA-N 2 1 337.464 1.300 20 0 EDADMP CON1CCC(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617502117 449644289 /nfs/dbraw/zinc/64/42/89/449644289.db2.gz CRECDOZKVJQJHV-HNNXBMFYSA-N 2 1 328.501 1.038 20 0 EDADMP CON1CCC(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617502117 449644295 /nfs/dbraw/zinc/64/42/95/449644295.db2.gz CRECDOZKVJQJHV-HNNXBMFYSA-N 2 1 328.501 1.038 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000601000568 449646018 /nfs/dbraw/zinc/64/60/18/449646018.db2.gz DMSWCMGGEJLSLR-IBGZPJMESA-N 2 1 345.487 1.744 20 0 EDADMP COCc1nc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cs1 ZINC000617504671 449649062 /nfs/dbraw/zinc/64/90/62/449649062.db2.gz FDKGGUVYJGRIDN-LBPRGKRZSA-N 2 1 328.482 1.291 20 0 EDADMP COCc1nc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cs1 ZINC000617504671 449649065 /nfs/dbraw/zinc/64/90/65/449649065.db2.gz FDKGGUVYJGRIDN-LBPRGKRZSA-N 2 1 328.482 1.291 20 0 EDADMP CSC1(CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC[NH+](C)CC1 ZINC000599064029 449715144 /nfs/dbraw/zinc/71/51/44/449715144.db2.gz BBTAWGJCNUKAHA-OAHLLOKOSA-N 2 1 342.553 1.845 20 0 EDADMP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C[C@@H]1O ZINC000615081176 449941776 /nfs/dbraw/zinc/94/17/76/449941776.db2.gz YYYXWKOMBUPQFU-FHWLQOOXSA-N 2 1 345.487 1.074 20 0 EDADMP CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000617928857 449924321 /nfs/dbraw/zinc/92/43/21/449924321.db2.gz XQQQYVYILHALJF-KRWDZBQOSA-N 2 1 337.508 1.964 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612985665 449971650 /nfs/dbraw/zinc/97/16/50/449971650.db2.gz MFJSPFZWAIGTJQ-GDBMZVCRSA-N 2 1 336.480 1.023 20 0 EDADMP C[N@@H+](CCC(=O)N1CCOC[C@H]1[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000615271518 450035189 /nfs/dbraw/zinc/03/51/89/450035189.db2.gz XSPMGCKVHBZKDG-ROUUACIJSA-N 2 1 337.508 1.963 20 0 EDADMP C[NH+](CCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000615271518 450035195 /nfs/dbraw/zinc/03/51/95/450035195.db2.gz XSPMGCKVHBZKDG-ROUUACIJSA-N 2 1 337.508 1.963 20 0 EDADMP C[NH+](CCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000615271518 450035200 /nfs/dbraw/zinc/03/52/00/450035200.db2.gz XSPMGCKVHBZKDG-ROUUACIJSA-N 2 1 337.508 1.963 20 0 EDADMP CC[N@@H+](CC(=O)NC(=O)NC1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658145 450134752 /nfs/dbraw/zinc/13/47/52/450134752.db2.gz ORJWPVPAELEDDO-UHFFFAOYSA-N 2 1 332.448 1.558 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1 ZINC000595550872 450226419 /nfs/dbraw/zinc/22/64/19/450226419.db2.gz NUMGXAKOAKNAJQ-HNNXBMFYSA-N 2 1 344.496 1.558 20 0 EDADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000603429230 450299143 /nfs/dbraw/zinc/29/91/43/450299143.db2.gz MPOXYNGSRGJBLX-LSDHHAIUSA-N 2 1 326.400 1.394 20 0 EDADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000603429230 450299148 /nfs/dbraw/zinc/29/91/48/450299148.db2.gz MPOXYNGSRGJBLX-LSDHHAIUSA-N 2 1 326.400 1.394 20 0 EDADMP Cc1ccc(N2CCC(C(=O)NCCNc3cc[nH+]cc3)CC2)[nH+]c1 ZINC000619027158 450382770 /nfs/dbraw/zinc/38/27/70/450382770.db2.gz SJAAVASEQAJHLV-UHFFFAOYSA-N 2 1 339.443 1.652 20 0 EDADMP Cc1noc(CCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000620244111 450458046 /nfs/dbraw/zinc/45/80/46/450458046.db2.gz QGHKBLOQOOMPPK-UHFFFAOYSA-N 2 1 330.392 1.096 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620473808 450495554 /nfs/dbraw/zinc/49/55/54/450495554.db2.gz ABOTVCAYKZOUBQ-GOEBONIOSA-N 2 1 334.464 1.454 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620473808 450495556 /nfs/dbraw/zinc/49/55/56/450495556.db2.gz ABOTVCAYKZOUBQ-GOEBONIOSA-N 2 1 334.464 1.454 20 0 EDADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620480601 450500040 /nfs/dbraw/zinc/50/00/40/450500040.db2.gz HAQXMTVJQLAUBZ-MSOLQXFVSA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000620480601 450500042 /nfs/dbraw/zinc/50/00/42/450500042.db2.gz HAQXMTVJQLAUBZ-MSOLQXFVSA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000620480601 450500044 /nfs/dbraw/zinc/50/00/44/450500044.db2.gz HAQXMTVJQLAUBZ-MSOLQXFVSA-N 2 1 335.492 1.451 20 0 EDADMP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623419645 450519397 /nfs/dbraw/zinc/51/93/97/450519397.db2.gz RCXMLHWCNGOMBV-KRWDZBQOSA-N 2 1 339.528 1.045 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623419645 450519399 /nfs/dbraw/zinc/51/93/99/450519399.db2.gz RCXMLHWCNGOMBV-KRWDZBQOSA-N 2 1 339.528 1.045 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623419645 450519401 /nfs/dbraw/zinc/51/94/01/450519401.db2.gz RCXMLHWCNGOMBV-KRWDZBQOSA-N 2 1 339.528 1.045 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1)c1ccccc1 ZINC000626015271 450554487 /nfs/dbraw/zinc/55/44/87/450554487.db2.gz OTDYFDSCOLBERN-NLWGTHIKSA-N 2 1 345.487 1.500 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000621109852 450582559 /nfs/dbraw/zinc/58/25/59/450582559.db2.gz DHICWTXJDZNWPK-DLBZAZTESA-N 2 1 330.476 1.992 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000621109852 450582562 /nfs/dbraw/zinc/58/25/62/450582562.db2.gz DHICWTXJDZNWPK-DLBZAZTESA-N 2 1 330.476 1.992 20 0 EDADMP C[N@H+]1CCCC[C@@H](CNC(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000623799805 450591794 /nfs/dbraw/zinc/59/17/94/450591794.db2.gz NSXKMMXLEALOGJ-HOTGVXAUSA-N 2 1 331.464 1.691 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000621154100 450601367 /nfs/dbraw/zinc/60/13/67/450601367.db2.gz FYTVGIFRZYOLAZ-ROUUACIJSA-N 2 1 331.460 1.344 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000621154100 450601376 /nfs/dbraw/zinc/60/13/76/450601376.db2.gz FYTVGIFRZYOLAZ-ROUUACIJSA-N 2 1 331.460 1.344 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[NH2+]1 ZINC000621156963 450604867 /nfs/dbraw/zinc/60/48/67/450604867.db2.gz LVKBGCNCQHEIJS-OALUTQOASA-N 2 1 345.487 1.641 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)N2CC(C[NH+]3CCOCC3)C2)c1 ZINC000631470861 450611904 /nfs/dbraw/zinc/61/19/04/450611904.db2.gz WTBOWQXYRBMQLT-UHFFFAOYSA-N 2 1 332.448 1.544 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000624008737 450668578 /nfs/dbraw/zinc/66/85/78/450668578.db2.gz FFAOWCAELQYUJW-UHFFFAOYSA-N 2 1 341.459 1.520 20 0 EDADMP Cc1cnccc1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000629552781 450732178 /nfs/dbraw/zinc/73/21/78/450732178.db2.gz PYVNYXZJGMEGPM-QGZVFWFLSA-N 2 1 340.475 1.902 20 0 EDADMP O=C(NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1Cl ZINC000629555135 450733647 /nfs/dbraw/zinc/73/36/47/450733647.db2.gz WMANUFXDIGCVPT-CYBMUJFWSA-N 2 1 325.840 1.116 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000629577122 450745553 /nfs/dbraw/zinc/74/55/53/450745553.db2.gz PYETTWLAVCSUGC-VQTJNVASSA-N 2 1 331.504 1.943 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC2CN(c3ccncn3)C2)[C@H](C)C1 ZINC000631746066 450747427 /nfs/dbraw/zinc/74/74/27/450747427.db2.gz BDHDVCZXDYSYQD-NVXWUHKLSA-N 2 1 333.480 1.392 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CN(c3ccncn3)C2)[C@H](C)C1 ZINC000631746066 450747437 /nfs/dbraw/zinc/74/74/37/450747437.db2.gz BDHDVCZXDYSYQD-NVXWUHKLSA-N 2 1 333.480 1.392 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000635217734 450761150 /nfs/dbraw/zinc/76/11/50/450761150.db2.gz SWVUCKHJZFGOPZ-FUHWJXTLSA-N 2 1 331.460 1.518 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)[C@@H](C)C1 ZINC000624266691 450771448 /nfs/dbraw/zinc/77/14/48/450771448.db2.gz SWJFNVXKEFDOGE-WDSOQIARSA-N 2 1 332.492 1.602 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000631923301 450882484 /nfs/dbraw/zinc/88/24/84/450882484.db2.gz RMNXULONFVUPGG-HNNXBMFYSA-N 2 1 329.510 1.361 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000631940174 450897835 /nfs/dbraw/zinc/89/78/35/450897835.db2.gz QRYBVRTZBCCPRO-HUUCEWRRSA-N 2 1 329.510 1.122 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)OCC1CC1 ZINC000624651090 450939885 /nfs/dbraw/zinc/93/98/85/450939885.db2.gz QJNDENKBMLHEGO-RDJZCZTQSA-N 2 1 325.497 1.676 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCOCC[NH2+]C)C1 ZINC000626975230 451044232 /nfs/dbraw/zinc/04/42/32/451044232.db2.gz POPGSLREPYQHQS-INIZCTEOSA-N 2 1 342.528 1.764 20 0 EDADMP CCN(CC[NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000626936805 451018242 /nfs/dbraw/zinc/01/82/42/451018242.db2.gz ZPGQABJYFPAZDW-GOSISDBHSA-N 2 1 347.507 1.355 20 0 EDADMP CCN(CC[NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000626936805 451018249 /nfs/dbraw/zinc/01/82/49/451018249.db2.gz ZPGQABJYFPAZDW-GOSISDBHSA-N 2 1 347.507 1.355 20 0 EDADMP CCN(CC[NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000626936805 451018255 /nfs/dbraw/zinc/01/82/55/451018255.db2.gz ZPGQABJYFPAZDW-GOSISDBHSA-N 2 1 347.507 1.355 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000633796363 451020729 /nfs/dbraw/zinc/02/07/29/451020729.db2.gz GQTOGMVAPWYBHL-QRQLOZEOSA-N 2 1 345.487 1.591 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000633796363 451020732 /nfs/dbraw/zinc/02/07/32/451020732.db2.gz GQTOGMVAPWYBHL-QRQLOZEOSA-N 2 1 345.487 1.591 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000633796363 451020736 /nfs/dbraw/zinc/02/07/36/451020736.db2.gz GQTOGMVAPWYBHL-QRQLOZEOSA-N 2 1 345.487 1.591 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000633796363 451020740 /nfs/dbraw/zinc/02/07/40/451020740.db2.gz GQTOGMVAPWYBHL-QRQLOZEOSA-N 2 1 345.487 1.591 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000633797308 451021766 /nfs/dbraw/zinc/02/17/66/451021766.db2.gz KAJLCNDANCCSTB-BPQIPLTHSA-N 2 1 331.460 1.201 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000633797308 451021770 /nfs/dbraw/zinc/02/17/70/451021770.db2.gz KAJLCNDANCCSTB-BPQIPLTHSA-N 2 1 331.460 1.201 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000633797308 451021775 /nfs/dbraw/zinc/02/17/75/451021775.db2.gz KAJLCNDANCCSTB-BPQIPLTHSA-N 2 1 331.460 1.201 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000633797308 451021779 /nfs/dbraw/zinc/02/17/79/451021779.db2.gz KAJLCNDANCCSTB-BPQIPLTHSA-N 2 1 331.460 1.201 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626976713 451046119 /nfs/dbraw/zinc/04/61/19/451046119.db2.gz NFMRTTIGTLLBCE-QGZVFWFLSA-N 2 1 340.512 1.518 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Cc1ccc(F)cc1 ZINC000626993116 451058854 /nfs/dbraw/zinc/05/88/54/451058854.db2.gz BXAZBUIHUIRIIO-KDURUIRLSA-N 2 1 348.466 1.899 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000622144322 451065576 /nfs/dbraw/zinc/06/55/76/451065576.db2.gz VISQOTNNXVXAPE-MRXNPFEDSA-N 2 1 334.464 1.520 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2CC)[C@H](C)C1 ZINC000626980910 451049716 /nfs/dbraw/zinc/04/97/16/451049716.db2.gz WKHWMPWNMKCNIC-YYIAUSFCSA-N 2 1 340.512 1.563 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000626981240 451049742 /nfs/dbraw/zinc/04/97/42/451049742.db2.gz ZEKQZKKZRUWRRG-YHUYYLMFSA-N 2 1 326.485 1.173 20 0 EDADMP C[C@H]1CC[C@H](NC(=O)N2CC[NH+](CCc3cccs3)CC2)C[NH2+]1 ZINC000627194156 451179476 /nfs/dbraw/zinc/17/94/76/451179476.db2.gz CPNBERUGPOVKHQ-GJZGRUSLSA-N 2 1 336.505 1.758 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)C1 ZINC000632371128 451232786 /nfs/dbraw/zinc/23/27/86/451232786.db2.gz VSFWIUVTELOKGX-INIZCTEOSA-N 2 1 329.510 1.220 20 0 EDADMP COc1cncc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000625262952 451244147 /nfs/dbraw/zinc/24/41/47/451244147.db2.gz AYHAPEFZXMFFKC-SJPCQFCGSA-N 2 1 331.464 1.228 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000625275997 451253418 /nfs/dbraw/zinc/25/34/18/451253418.db2.gz JYQAWZJOUMFUIR-AEFFLSMTSA-N 2 1 325.497 1.140 20 0 EDADMP C[C@H](CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)C[NH+]1CCOCC1 ZINC000638091447 451256940 /nfs/dbraw/zinc/25/69/40/451256940.db2.gz VFSNZWLSEPBYPP-SOLBZPMBSA-N 2 1 349.475 1.004 20 0 EDADMP Cc1cc(C)c(CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)c(C)[nH+]1 ZINC000630583473 451261745 /nfs/dbraw/zinc/26/17/45/451261745.db2.gz QKLSLSPGNOONFZ-KBXCAEBGSA-N 2 1 330.432 1.946 20 0 EDADMP COC[C@H]([NH3+])Cc1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000630595586 451268597 /nfs/dbraw/zinc/26/85/97/451268597.db2.gz HFIKVNDSYDOGMK-IAGOWNOFSA-N 2 1 329.448 1.316 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)C1 ZINC000638112117 451279361 /nfs/dbraw/zinc/27/93/61/451279361.db2.gz QMJVNBWRVDTSGJ-IIDMSEBBSA-N 2 1 325.497 1.770 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NC2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000638113415 451281688 /nfs/dbraw/zinc/28/16/88/451281688.db2.gz CZBBVBNNGOKVEQ-AXRJEEMOSA-N 2 1 338.496 1.540 20 0 EDADMP Cc1ccc(NCCCNC(=O)Cc2cccc3c2CC[NH2+]C3)[nH+]c1 ZINC000638115560 451282682 /nfs/dbraw/zinc/28/26/82/451282682.db2.gz HOAMGRPDFVOVAE-UHFFFAOYSA-N 2 1 338.455 2.197 20 0 EDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635843483 451292758 /nfs/dbraw/zinc/29/27/58/451292758.db2.gz ULKQUDCARBGPPA-FQEVSTJZSA-N 2 1 345.487 1.424 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCO1 ZINC000638173483 451336023 /nfs/dbraw/zinc/33/60/23/451336023.db2.gz XTUMTTUUYSBYJI-JKSUJKDBSA-N 2 1 337.851 1.491 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCO1 ZINC000638173483 451336029 /nfs/dbraw/zinc/33/60/29/451336029.db2.gz XTUMTTUUYSBYJI-JKSUJKDBSA-N 2 1 337.851 1.491 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCO1 ZINC000638173477 451336152 /nfs/dbraw/zinc/33/61/52/451336152.db2.gz XTUMTTUUYSBYJI-CVEARBPZSA-N 2 1 337.851 1.491 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCO1 ZINC000638173477 451336156 /nfs/dbraw/zinc/33/61/56/451336156.db2.gz XTUMTTUUYSBYJI-CVEARBPZSA-N 2 1 337.851 1.491 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@]2(OC)CCOC2)CC1 ZINC000638134554 451307082 /nfs/dbraw/zinc/30/70/82/451307082.db2.gz WILSZTZVCCKXEP-SFHVURJKSA-N 2 1 328.497 1.862 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)cn1 ZINC000638218681 451363527 /nfs/dbraw/zinc/36/35/27/451363527.db2.gz URUQGMUPNOASLR-QGZVFWFLSA-N 2 1 345.422 1.371 20 0 EDADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000636629138 451366738 /nfs/dbraw/zinc/36/67/38/451366738.db2.gz GQVUZUPOVNFAGE-JYJNAYRXSA-N 2 1 340.512 1.109 20 0 EDADMP Nc1nc(N)c(CNc2ccc(CC[NH+]3CCSCC3)cc2)c[nH+]1 ZINC000638239836 451375510 /nfs/dbraw/zinc/37/55/10/451375510.db2.gz PIEMFTSIKCCZQR-UHFFFAOYSA-N 2 1 344.488 1.505 20 0 EDADMP CC[NH2+][C@H](C)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000638270973 451391127 /nfs/dbraw/zinc/39/11/27/451391127.db2.gz KTYZEKHYCIWRBO-MRXNPFEDSA-N 2 1 334.464 1.131 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2cnn(CC[NH+](C)C)c2)c1 ZINC000630806575 451411900 /nfs/dbraw/zinc/41/19/00/451411900.db2.gz XWLKAAJPCFIFEC-UHFFFAOYSA-N 2 1 343.475 1.826 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[NH+]2CC)CC[N@H+]1C ZINC000630879046 451457873 /nfs/dbraw/zinc/45/78/73/451457873.db2.gz DHOSKOYDJWQOQS-OKZBNKHCSA-N 3 1 338.540 1.591 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)CC[NH+]1C ZINC000630879046 451457879 /nfs/dbraw/zinc/45/78/79/451457879.db2.gz DHOSKOYDJWQOQS-OKZBNKHCSA-N 3 1 338.540 1.591 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)CC[NH+]1C ZINC000630879046 451457886 /nfs/dbraw/zinc/45/78/86/451457886.db2.gz DHOSKOYDJWQOQS-OKZBNKHCSA-N 3 1 338.540 1.591 20 0 EDADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)O1 ZINC000634688402 451464973 /nfs/dbraw/zinc/46/49/73/451464973.db2.gz RCJVUINFONMDBP-PMPSAXMXSA-N 2 1 333.480 1.566 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634700646 451474707 /nfs/dbraw/zinc/47/47/07/451474707.db2.gz CXILVSQLHQPYIH-UXHICEINSA-N 2 1 331.504 1.945 20 0 EDADMP CCC[NH+]1CC[C@H](CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634700646 451474711 /nfs/dbraw/zinc/47/47/11/451474711.db2.gz CXILVSQLHQPYIH-UXHICEINSA-N 2 1 331.504 1.945 20 0 EDADMP CCC[NH+]1CC[C@H](CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634700646 451474718 /nfs/dbraw/zinc/47/47/18/451474718.db2.gz CXILVSQLHQPYIH-UXHICEINSA-N 2 1 331.504 1.945 20 0 EDADMP Cc1noc(CCC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000634702883 451477487 /nfs/dbraw/zinc/47/74/87/451477487.db2.gz MSJVMIVMYBZIMQ-GOSISDBHSA-N 2 1 330.432 1.537 20 0 EDADMP Cc1noc(CCC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000634702883 451477491 /nfs/dbraw/zinc/47/74/91/451477491.db2.gz MSJVMIVMYBZIMQ-GOSISDBHSA-N 2 1 330.432 1.537 20 0 EDADMP [NH3+]C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CC[NH+](Cc2ccccc2)CC1 ZINC000638387086 451478907 /nfs/dbraw/zinc/47/89/07/451478907.db2.gz ROHGMIBTGDNNBO-KURKYZTESA-N 2 1 343.471 1.806 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)[C@@H]1CC[NH3+] ZINC000638391719 451481770 /nfs/dbraw/zinc/48/17/70/451481770.db2.gz YVOHJICOEKXWHJ-BPQIPLTHSA-N 2 1 332.492 1.422 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)[C@@H]1CC[NH3+] ZINC000638391719 451481775 /nfs/dbraw/zinc/48/17/75/451481775.db2.gz YVOHJICOEKXWHJ-BPQIPLTHSA-N 2 1 332.492 1.422 20 0 EDADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000636764492 451488787 /nfs/dbraw/zinc/48/87/87/451488787.db2.gz IEDRHWLWHQQVHG-JKSUJKDBSA-N 2 1 340.512 1.253 20 0 EDADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000636764492 451488788 /nfs/dbraw/zinc/48/87/88/451488788.db2.gz IEDRHWLWHQQVHG-JKSUJKDBSA-N 2 1 340.512 1.253 20 0 EDADMP OC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721240 451501121 /nfs/dbraw/zinc/50/11/21/451501121.db2.gz VOZNJLHUXIZVKN-NHCUHLMSSA-N 2 1 340.467 1.817 20 0 EDADMP OC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721240 451501128 /nfs/dbraw/zinc/50/11/28/451501128.db2.gz VOZNJLHUXIZVKN-NHCUHLMSSA-N 2 1 340.467 1.817 20 0 EDADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638488683 451540595 /nfs/dbraw/zinc/54/05/95/451540595.db2.gz FSUCQMQOVIKFRJ-RTBURBONSA-N 2 1 345.487 1.734 20 0 EDADMP c1ncc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779072 451543375 /nfs/dbraw/zinc/54/33/75/451543375.db2.gz BUPPUSBEIZBYGV-QGFMHUBQSA-N 2 1 329.444 1.238 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@@H]1COCC[NH2+]1)c1cccc(Cl)c1Cl ZINC000638614133 451607615 /nfs/dbraw/zinc/60/76/15/451607615.db2.gz QXYIYRWCVIJCHD-RNCFNFMXSA-N 2 1 332.231 1.359 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCNC(=O)CC2)[C@H](c2ccccc2)C1 ZINC000634951817 451620355 /nfs/dbraw/zinc/62/03/55/451620355.db2.gz HBOGFEQAIWRPNC-MOPGFXCFSA-N 2 1 344.503 1.624 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000638653529 451633138 /nfs/dbraw/zinc/63/31/38/451633138.db2.gz LITZYJJDFXJFFI-WBVHZDCISA-N 2 1 339.528 1.314 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000638653529 451633143 /nfs/dbraw/zinc/63/31/43/451633143.db2.gz LITZYJJDFXJFFI-WBVHZDCISA-N 2 1 339.528 1.314 20 0 EDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000634997843 451640987 /nfs/dbraw/zinc/64/09/87/451640987.db2.gz URJNEINCXKXNJP-HOTGVXAUSA-N 3 1 334.512 1.230 20 0 EDADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000632905697 451643692 /nfs/dbraw/zinc/64/36/92/451643692.db2.gz YSWOGUXBJACORU-HOCLYGCPSA-N 2 1 332.448 1.515 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638856937 451712044 /nfs/dbraw/zinc/71/20/44/451712044.db2.gz WJTQULSFLHFDFP-NJAFHUGGSA-N 2 1 333.476 1.623 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C2)cc1 ZINC000632956024 451668274 /nfs/dbraw/zinc/66/82/74/451668274.db2.gz SQSQRBCUNIJREJ-UONOGXRCSA-N 2 1 344.381 1.758 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000637151131 451741469 /nfs/dbraw/zinc/74/14/69/451741469.db2.gz XPJDZCIHTUPMPA-NJAFHUGGSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC000637151131 451741470 /nfs/dbraw/zinc/74/14/70/451741470.db2.gz XPJDZCIHTUPMPA-NJAFHUGGSA-N 2 1 346.475 1.015 20 0 EDADMP CC(C)(C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)N1CCOCC1 ZINC000638976477 451744260 /nfs/dbraw/zinc/74/42/60/451744260.db2.gz INFWMVZXEKDBKN-IBGZPJMESA-N 2 1 347.503 1.454 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)CC1 ZINC000639022897 451753324 /nfs/dbraw/zinc/75/33/24/451753324.db2.gz JQLNWHBWICUDKM-MRXNPFEDSA-N 2 1 330.476 1.178 20 0 EDADMP CC[C@@](C)([NH3+])c1cn(Cc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000641180476 451771374 /nfs/dbraw/zinc/77/13/74/451771374.db2.gz GNRMCICQIALDLD-GOSISDBHSA-N 2 1 329.448 1.743 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000641997538 451803395 /nfs/dbraw/zinc/80/33/95/451803395.db2.gz LDOTTYXAJDXTFA-OAHLLOKOSA-N 2 1 327.517 1.040 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000641997538 451803398 /nfs/dbraw/zinc/80/33/98/451803398.db2.gz LDOTTYXAJDXTFA-OAHLLOKOSA-N 2 1 327.517 1.040 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000641997538 451803402 /nfs/dbraw/zinc/80/34/02/451803402.db2.gz LDOTTYXAJDXTFA-OAHLLOKOSA-N 2 1 327.517 1.040 20 0 EDADMP CO[C@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCOCC1 ZINC000639310596 451819901 /nfs/dbraw/zinc/81/99/01/451819901.db2.gz XWZUDIFUXROJFN-WOJBJXKFSA-N 2 1 348.487 1.784 20 0 EDADMP CCN(C(=O)NCCNc1cc(C)nc(C(C)C)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000637413664 451842423 /nfs/dbraw/zinc/84/24/23/451842423.db2.gz WHUACMPNSDNCEX-OAHLLOKOSA-N 2 1 348.495 2.056 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 ZINC000644529985 451844385 /nfs/dbraw/zinc/84/43/85/451844385.db2.gz WIPQRPLEXLSORK-BBRMVZONSA-N 2 1 339.430 1.836 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 ZINC000644529985 451844388 /nfs/dbraw/zinc/84/43/88/451844388.db2.gz WIPQRPLEXLSORK-BBRMVZONSA-N 2 1 339.430 1.836 20 0 EDADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646807703 451854370 /nfs/dbraw/zinc/85/43/70/451854370.db2.gz PXITZKPNEFKRJG-RBUKOAKNSA-N 2 1 344.503 1.228 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)[C@@]12CCCO2 ZINC000644621440 451898978 /nfs/dbraw/zinc/89/89/78/451898978.db2.gz QBZRCAYANXQCGJ-HAGHYFMRSA-N 2 1 348.487 1.796 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)[C@@]12CCCO2 ZINC000644621440 451898985 /nfs/dbraw/zinc/89/89/85/451898985.db2.gz QBZRCAYANXQCGJ-HAGHYFMRSA-N 2 1 348.487 1.796 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)[C@@]12CCCO2 ZINC000644621446 451899337 /nfs/dbraw/zinc/89/93/37/451899337.db2.gz QBZRCAYANXQCGJ-WCIQWLHISA-N 2 1 348.487 1.796 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)[C@@]12CCCO2 ZINC000644621446 451899344 /nfs/dbraw/zinc/89/93/44/451899344.db2.gz QBZRCAYANXQCGJ-WCIQWLHISA-N 2 1 348.487 1.796 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCCC[NH2+]C(C)C)CC1 ZINC000637479305 451896975 /nfs/dbraw/zinc/89/69/75/451896975.db2.gz JCJIIXGBNHKUPO-UHFFFAOYSA-N 2 1 327.517 1.090 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1cn2c(n1)SCC2 ZINC000644623593 451900921 /nfs/dbraw/zinc/90/09/21/451900921.db2.gz KOXYSLPPBZVKCM-QGZVFWFLSA-N 2 1 346.500 1.614 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1cn2c(n1)SCC2 ZINC000644623593 451900922 /nfs/dbraw/zinc/90/09/22/451900922.db2.gz KOXYSLPPBZVKCM-QGZVFWFLSA-N 2 1 346.500 1.614 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642645008 451905315 /nfs/dbraw/zinc/90/53/15/451905315.db2.gz AHJATPHZWPEEOY-HNNXBMFYSA-N 2 1 338.496 1.097 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000642684759 451915852 /nfs/dbraw/zinc/91/58/52/451915852.db2.gz CQWIGUHTSAMLQY-CABCVRRESA-N 2 1 346.475 1.141 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000637532978 451931764 /nfs/dbraw/zinc/93/17/64/451931764.db2.gz PMUMIVVSNKWKII-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000637532978 451931768 /nfs/dbraw/zinc/93/17/68/451931768.db2.gz PMUMIVVSNKWKII-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000637532978 451931772 /nfs/dbraw/zinc/93/17/72/451931772.db2.gz PMUMIVVSNKWKII-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000637532978 451931774 /nfs/dbraw/zinc/93/17/74/451931774.db2.gz PMUMIVVSNKWKII-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP O[C@]1(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)CCN(Cc2ccccc2)C1 ZINC000639545318 451935853 /nfs/dbraw/zinc/93/58/53/451935853.db2.gz UUXRTAJQECALGT-UFYCRDLUSA-N 2 1 330.472 1.982 20 0 EDADMP O[C@]1(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639545318 451935860 /nfs/dbraw/zinc/93/58/60/451935860.db2.gz UUXRTAJQECALGT-UFYCRDLUSA-N 2 1 330.472 1.982 20 0 EDADMP O[C@]1(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639545318 451935866 /nfs/dbraw/zinc/93/58/66/451935866.db2.gz UUXRTAJQECALGT-UFYCRDLUSA-N 2 1 330.472 1.982 20 0 EDADMP O[C@]1(C[NH+]2CC[C@H]([C@H]3CCOC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639545318 451935872 /nfs/dbraw/zinc/93/58/72/451935872.db2.gz UUXRTAJQECALGT-UFYCRDLUSA-N 2 1 330.472 1.982 20 0 EDADMP O[C@]1(C[NH+]2CC[C@H]([C@H]3CCOC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639545318 451935875 /nfs/dbraw/zinc/93/58/75/451935875.db2.gz UUXRTAJQECALGT-UFYCRDLUSA-N 2 1 330.472 1.982 20 0 EDADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000646923740 451941114 /nfs/dbraw/zinc/94/11/14/451941114.db2.gz YXXLJSQZFGYLRX-WMZOPIPTSA-N 2 1 328.460 1.769 20 0 EDADMP [NH3+][C@@H](CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000649279242 451950637 /nfs/dbraw/zinc/95/06/37/451950637.db2.gz AFVIQYJBDMYMME-MSOLQXFVSA-N 2 1 331.460 1.270 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(N)CC[N@@H+](C)C1)c1cccc(OC)c1 ZINC000649282868 451956446 /nfs/dbraw/zinc/95/64/46/451956446.db2.gz PFWZWTLCFDHRGL-HKUYNNGSSA-N 2 1 348.491 1.227 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COC3(C)C[NH2+]C3)cc2)C1 ZINC000649288551 451962981 /nfs/dbraw/zinc/96/29/81/451962981.db2.gz YOFKVEGJEGINHC-INIZCTEOSA-N 2 1 345.487 1.913 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(N)CC[N@@H+](C)C1)Cc1ccccc1 ZINC000649292627 451969735 /nfs/dbraw/zinc/96/97/35/451969735.db2.gz UFAITNCIPJBGII-MJGOQNOKSA-N 2 1 332.492 1.089 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)[N@@H+]1CCc2sccc2C1 ZINC000649299334 451977089 /nfs/dbraw/zinc/97/70/89/451977089.db2.gz LBCQMAFAAOYYRK-WCQYABFASA-N 2 1 343.443 1.856 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)[N@H+]1CCc2sccc2C1 ZINC000649299334 451977093 /nfs/dbraw/zinc/97/70/93/451977093.db2.gz LBCQMAFAAOYYRK-WCQYABFASA-N 2 1 343.443 1.856 20 0 EDADMP CC1(C)C[NH2+][C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000649299299 451977146 /nfs/dbraw/zinc/97/71/46/451977146.db2.gz GTTCVWZLIIVFOI-CABCVRRESA-N 2 1 330.432 1.073 20 0 EDADMP CC1(C)C[NH2+][C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000649299299 451977148 /nfs/dbraw/zinc/97/71/48/451977148.db2.gz GTTCVWZLIIVFOI-CABCVRRESA-N 2 1 330.432 1.073 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C3CCC([NH3+])CC3)cc2)CC1 ZINC000649304893 451981415 /nfs/dbraw/zinc/98/14/15/451981415.db2.gz LUMULFGHUIUVKI-UHFFFAOYSA-N 2 1 344.459 1.530 20 0 EDADMP C[N@H+]1CC[C@](N)(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000649308861 451986188 /nfs/dbraw/zinc/98/61/88/451986188.db2.gz CWCWTZILYDLLPA-QGZVFWFLSA-N 2 1 336.505 1.109 20 0 EDADMP CC[C@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000647006207 452000870 /nfs/dbraw/zinc/00/08/70/452000870.db2.gz MOHCKVXGARKDCZ-OALUTQOASA-N 2 1 344.503 1.390 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)[C@@H](C)C1 ZINC000649334409 452014127 /nfs/dbraw/zinc/01/41/27/452014127.db2.gz DKZZZQKLWKZOKG-ZNMIVQPWSA-N 2 1 347.450 1.484 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)c2)C[C@H](C)O1 ZINC000649337686 452017388 /nfs/dbraw/zinc/01/73/88/452017388.db2.gz GPTLVGKKPROQGY-WIHIRCLASA-N 2 1 329.444 1.700 20 0 EDADMP COC[C@@]1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649342874 452023332 /nfs/dbraw/zinc/02/33/32/452023332.db2.gz VBMBLQULWDJXMU-PKOBYXMFSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000643080227 452034371 /nfs/dbraw/zinc/03/43/71/452034371.db2.gz IXTIPYLBXQARTI-CJNGLKHVSA-N 2 1 328.420 1.401 20 0 EDADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000643080227 452034376 /nfs/dbraw/zinc/03/43/76/452034376.db2.gz IXTIPYLBXQARTI-CJNGLKHVSA-N 2 1 328.420 1.401 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649352809 452036580 /nfs/dbraw/zinc/03/65/80/452036580.db2.gz NJBYFIXYTQTHBZ-AHCXZYCDSA-N 2 1 328.460 1.064 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000649362055 452041408 /nfs/dbraw/zinc/04/14/08/452041408.db2.gz FHNYFMVQKPMMHH-MJGOQNOKSA-N 2 1 328.460 1.648 20 0 EDADMP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000649362055 452041417 /nfs/dbraw/zinc/04/14/17/452041417.db2.gz FHNYFMVQKPMMHH-MJGOQNOKSA-N 2 1 328.460 1.648 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000647093029 452055583 /nfs/dbraw/zinc/05/55/83/452055583.db2.gz AKIXKJDZSJCQJS-CZUORRHYSA-N 2 1 331.464 1.337 20 0 EDADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000649416624 452078392 /nfs/dbraw/zinc/07/83/92/452078392.db2.gz GODLWKNJLQTGMC-SCTDSRPQSA-N 2 1 344.503 1.783 20 0 EDADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000649416624 452078395 /nfs/dbraw/zinc/07/83/95/452078395.db2.gz GODLWKNJLQTGMC-SCTDSRPQSA-N 2 1 344.503 1.783 20 0 EDADMP COc1cc(OC)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1F ZINC000651808555 452091582 /nfs/dbraw/zinc/09/15/82/452091582.db2.gz WAXFHKKJBNMXMH-UHFFFAOYSA-N 2 1 339.455 1.912 20 0 EDADMP O=C(NCC[NH2+]C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637827407 452103228 /nfs/dbraw/zinc/10/32/28/452103228.db2.gz FWRCWMHUVCSXDX-AZUAARDMSA-N 2 1 343.471 1.393 20 0 EDADMP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637827229 452104293 /nfs/dbraw/zinc/10/42/93/452104293.db2.gz OBMNNLGGZGUKKP-BJLQDIEVSA-N 2 1 343.471 1.393 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000639764153 452105807 /nfs/dbraw/zinc/10/58/07/452105807.db2.gz GHVQTXSFWDYPQU-GDBMZVCRSA-N 2 1 328.478 1.014 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000639764153 452105814 /nfs/dbraw/zinc/10/58/14/452105814.db2.gz GHVQTXSFWDYPQU-GDBMZVCRSA-N 2 1 328.478 1.014 20 0 EDADMP COc1ncncc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000647200099 452121857 /nfs/dbraw/zinc/12/18/57/452121857.db2.gz IUWJEYZCWDNIDR-QGZVFWFLSA-N 2 1 328.416 1.342 20 0 EDADMP COc1ncncc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000647200099 452121860 /nfs/dbraw/zinc/12/18/60/452121860.db2.gz IUWJEYZCWDNIDR-QGZVFWFLSA-N 2 1 328.416 1.342 20 0 EDADMP O=C1CC[C@@H](C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)N1 ZINC000649610371 452166556 /nfs/dbraw/zinc/16/65/56/452166556.db2.gz PPFDAGCKXHIKMV-OALUTQOASA-N 2 1 342.487 1.157 20 0 EDADMP O=C1CC[C@@H](C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC000649610371 452166564 /nfs/dbraw/zinc/16/65/64/452166564.db2.gz PPFDAGCKXHIKMV-OALUTQOASA-N 2 1 342.487 1.157 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000637986493 452229677 /nfs/dbraw/zinc/22/96/77/452229677.db2.gz PBSGAUXKJKAEHJ-QGZVFWFLSA-N 2 1 345.491 1.202 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000645267302 452245152 /nfs/dbraw/zinc/24/51/52/452245152.db2.gz UOTFPZUHLXMGOR-VAMGGRTRSA-N 2 1 348.487 1.389 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000645267302 452245158 /nfs/dbraw/zinc/24/51/58/452245158.db2.gz UOTFPZUHLXMGOR-VAMGGRTRSA-N 2 1 348.487 1.389 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N(C)CC2C[NH+](C)C2)C[C@H](C)O1 ZINC000663543064 452247750 /nfs/dbraw/zinc/24/77/50/452247750.db2.gz IMSWILFOWVPQDJ-KBPBESRZSA-N 2 1 326.485 1.077 20 0 EDADMP CCc1cccc(OC[C@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000647517895 452252774 /nfs/dbraw/zinc/25/27/74/452252774.db2.gz RZBYPPHSHLYGFP-GOSISDBHSA-N 2 1 336.476 1.425 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000641788914 452266229 /nfs/dbraw/zinc/26/62/29/452266229.db2.gz WEZKADDFADNESR-OTWHNJEPSA-N 3 1 338.540 1.103 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000663560238 452274698 /nfs/dbraw/zinc/27/46/98/452274698.db2.gz JZRIJFAAGIXYLY-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)N2CCC(OCc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000641804179 452280390 /nfs/dbraw/zinc/28/03/90/452280390.db2.gz JBFGZJBSHOYEHI-ZWKOTPCHSA-N 2 1 345.487 1.910 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659436947 452283444 /nfs/dbraw/zinc/28/34/44/452283444.db2.gz VVPNNTIPKDBBKP-DOTOQJQBSA-N 2 1 334.508 1.892 20 0 EDADMP C[C@@H](CNC(=O)N1CC2CC1(C[NH3+])C2)[N@@H+]1CCc2sccc2C1 ZINC000659438339 452287346 /nfs/dbraw/zinc/28/73/46/452287346.db2.gz SPLGMVKOXQXLIM-POZPTJLLSA-N 2 1 334.489 1.627 20 0 EDADMP C[C@@H](CNC(=O)N1CC2CC1(C[NH3+])C2)[N@H+]1CCc2sccc2C1 ZINC000659438339 452287356 /nfs/dbraw/zinc/28/73/56/452287356.db2.gz SPLGMVKOXQXLIM-POZPTJLLSA-N 2 1 334.489 1.627 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659459954 452312385 /nfs/dbraw/zinc/31/23/85/452312385.db2.gz NPDZYDGMJTUJIZ-YQQAZPJKSA-N 2 1 334.464 1.183 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659459954 452312392 /nfs/dbraw/zinc/31/23/92/452312392.db2.gz NPDZYDGMJTUJIZ-YQQAZPJKSA-N 2 1 334.464 1.183 20 0 EDADMP C[C@H](NC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000659471236 452327802 /nfs/dbraw/zinc/32/78/02/452327802.db2.gz RKUWDOCFALJHJQ-BHYGNILZSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000659471236 452327815 /nfs/dbraw/zinc/32/78/15/452327815.db2.gz RKUWDOCFALJHJQ-BHYGNILZSA-N 2 1 338.496 1.127 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000665759752 452330735 /nfs/dbraw/zinc/33/07/35/452330735.db2.gz OFKZUHMRGXJYMJ-DLBZAZTESA-N 2 1 341.544 1.242 20 0 EDADMP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C1 ZINC000665759752 452330746 /nfs/dbraw/zinc/33/07/46/452330746.db2.gz OFKZUHMRGXJYMJ-DLBZAZTESA-N 3 1 341.544 1.242 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C1 ZINC000665759752 452330755 /nfs/dbraw/zinc/33/07/55/452330755.db2.gz OFKZUHMRGXJYMJ-DLBZAZTESA-N 3 1 341.544 1.242 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665759752 452330768 /nfs/dbraw/zinc/33/07/68/452330768.db2.gz OFKZUHMRGXJYMJ-DLBZAZTESA-N 3 1 341.544 1.242 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665759752 452330781 /nfs/dbraw/zinc/33/07/81/452330781.db2.gz OFKZUHMRGXJYMJ-DLBZAZTESA-N 3 1 341.544 1.242 20 0 EDADMP COc1cccc([C@@H]([NH3+])C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000638055344 452336884 /nfs/dbraw/zinc/33/68/84/452336884.db2.gz HTKLCCDXEBHHML-IAGOWNOFSA-N 2 1 335.448 1.168 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCC2(C[NH3+])CC2)[C@H](C)C1 ZINC000652153915 452347165 /nfs/dbraw/zinc/34/71/65/452347165.db2.gz RUCLSTTUYAJMQF-HZPDHXFCSA-N 2 1 340.512 1.552 20 0 EDADMP Cn1ncc(Cl)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657595388 452362579 /nfs/dbraw/zinc/36/25/79/452362579.db2.gz HTWDOYQPNXEFLM-OAHLLOKOSA-N 2 1 334.851 1.930 20 0 EDADMP Cn1ncc(Cl)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657595388 452362585 /nfs/dbraw/zinc/36/25/85/452362585.db2.gz HTWDOYQPNXEFLM-OAHLLOKOSA-N 2 1 334.851 1.930 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000659509359 452373659 /nfs/dbraw/zinc/37/36/59/452373659.db2.gz ZBJQMSNVIBHZSX-ROUUACIJSA-N 2 1 346.475 1.195 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000638073562 452383500 /nfs/dbraw/zinc/38/35/00/452383500.db2.gz FFYXMWAJQXWMHD-OKZBNKHCSA-N 2 1 330.476 1.189 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000638073562 452383509 /nfs/dbraw/zinc/38/35/09/452383509.db2.gz FFYXMWAJQXWMHD-OKZBNKHCSA-N 2 1 330.476 1.189 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000638073562 452383515 /nfs/dbraw/zinc/38/35/15/452383515.db2.gz FFYXMWAJQXWMHD-OKZBNKHCSA-N 2 1 330.476 1.189 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000638076247 452389591 /nfs/dbraw/zinc/38/95/91/452389591.db2.gz XGVCJMHXEWFIOL-DZJNRPSUSA-N 2 1 331.460 1.662 20 0 EDADMP Cc1csc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000663680420 452415976 /nfs/dbraw/zinc/41/59/76/452415976.db2.gz PWLYCMXQXPXDDL-ZDUSSCGKSA-N 2 1 341.525 1.565 20 0 EDADMP Cc1csc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000663680420 452415984 /nfs/dbraw/zinc/41/59/84/452415984.db2.gz PWLYCMXQXPXDDL-ZDUSSCGKSA-N 2 1 341.525 1.565 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000663715236 452452432 /nfs/dbraw/zinc/45/24/32/452452432.db2.gz DJIMHJZUFIOZRB-GVDBMIGSSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000663715236 452452439 /nfs/dbraw/zinc/45/24/39/452452439.db2.gz DJIMHJZUFIOZRB-GVDBMIGSSA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000663715236 452452448 /nfs/dbraw/zinc/45/24/48/452452448.db2.gz DJIMHJZUFIOZRB-GVDBMIGSSA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000663715236 452452452 /nfs/dbraw/zinc/45/24/52/452452452.db2.gz DJIMHJZUFIOZRB-GVDBMIGSSA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000663715236 452452459 /nfs/dbraw/zinc/45/24/59/452452459.db2.gz DJIMHJZUFIOZRB-GVDBMIGSSA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC1CC[NH2+]CC1 ZINC000652319670 452493813 /nfs/dbraw/zinc/49/38/13/452493813.db2.gz DIKGRNAMAXCKRH-OAHLLOKOSA-N 2 1 338.496 1.271 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000659635131 452497454 /nfs/dbraw/zinc/49/74/54/452497454.db2.gz AVPFFEVZTLHQFZ-QGZVFWFLSA-N 2 1 332.492 1.944 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654440365 452501643 /nfs/dbraw/zinc/50/16/43/452501643.db2.gz GVWICVKDZNGGTN-HUUCEWRRSA-N 2 1 326.510 1.351 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654440365 452501652 /nfs/dbraw/zinc/50/16/52/452501652.db2.gz GVWICVKDZNGGTN-HUUCEWRRSA-N 2 1 326.510 1.351 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C1)CC2 ZINC000652329984 452502248 /nfs/dbraw/zinc/50/22/48/452502248.db2.gz QQIYJRZOZNNMKL-CXHZTBPHSA-N 2 1 330.476 1.943 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C1)CC2 ZINC000652329984 452502255 /nfs/dbraw/zinc/50/22/55/452502255.db2.gz QQIYJRZOZNNMKL-CXHZTBPHSA-N 2 1 330.476 1.943 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000655680200 452507402 /nfs/dbraw/zinc/50/74/02/452507402.db2.gz JOKXMGHTACDUCW-HZPDHXFCSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000663784018 452512658 /nfs/dbraw/zinc/51/26/58/452512658.db2.gz LAVSOSOYRVARST-BGTYHANMSA-N 2 1 346.475 1.138 20 0 EDADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345450 452520163 /nfs/dbraw/zinc/52/01/63/452520163.db2.gz CCXHXKJNYIYFCW-FLXSYLCISA-N 2 1 337.508 1.994 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652353956 452531570 /nfs/dbraw/zinc/53/15/70/452531570.db2.gz IIVTXNSHCCETBI-AEFFLSMTSA-N 2 1 333.476 1.939 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652353956 452531576 /nfs/dbraw/zinc/53/15/76/452531576.db2.gz IIVTXNSHCCETBI-AEFFLSMTSA-N 2 1 333.476 1.939 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482042 452552437 /nfs/dbraw/zinc/55/24/37/452552437.db2.gz VZHVSYBEPOPJDU-ZVDSWSACSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482042 452552446 /nfs/dbraw/zinc/55/24/46/452552446.db2.gz VZHVSYBEPOPJDU-ZVDSWSACSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482042 452552456 /nfs/dbraw/zinc/55/24/56/452552456.db2.gz VZHVSYBEPOPJDU-ZVDSWSACSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482042 452552461 /nfs/dbraw/zinc/55/24/61/452552461.db2.gz VZHVSYBEPOPJDU-ZVDSWSACSA-N 2 1 338.496 1.409 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000655741442 452552735 /nfs/dbraw/zinc/55/27/35/452552735.db2.gz KHFLTBBWCHQPCO-AEFFLSMTSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000655741442 452552740 /nfs/dbraw/zinc/55/27/40/452552740.db2.gz KHFLTBBWCHQPCO-AEFFLSMTSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000655741442 452552747 /nfs/dbraw/zinc/55/27/47/452552747.db2.gz KHFLTBBWCHQPCO-AEFFLSMTSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000655741442 452552757 /nfs/dbraw/zinc/55/27/57/452552757.db2.gz KHFLTBBWCHQPCO-AEFFLSMTSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663830849 452557601 /nfs/dbraw/zinc/55/76/01/452557601.db2.gz PBZRCMCDJOLPNS-GFCCVEGCSA-N 2 1 339.403 1.351 20 0 EDADMP C[C@H](Cn1cncn1)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000657835184 452558398 /nfs/dbraw/zinc/55/83/98/452558398.db2.gz OKASIXSBRALHPF-MJGOQNOKSA-N 2 1 342.491 1.635 20 0 EDADMP Cc1cc(C)c(CCNC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)c(C)c1 ZINC000647835561 452573277 /nfs/dbraw/zinc/57/32/77/452573277.db2.gz BTSLIEOJTRYBCW-UHFFFAOYSA-N 2 1 346.519 1.108 20 0 EDADMP Cc1cc(C)c(CCNC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)c(C)c1 ZINC000647835561 452573285 /nfs/dbraw/zinc/57/32/85/452573285.db2.gz BTSLIEOJTRYBCW-UHFFFAOYSA-N 2 1 346.519 1.108 20 0 EDADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655802224 452587365 /nfs/dbraw/zinc/58/73/65/452587365.db2.gz ZLZYRMIWHKWBPP-CUSZFKRNSA-N 2 1 325.497 1.327 20 0 EDADMP COc1cccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000663875921 452598971 /nfs/dbraw/zinc/59/89/71/452598971.db2.gz HJXNCAIQMVKUNN-AWEZNQCLSA-N 2 1 337.468 1.161 20 0 EDADMP COc1cccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000663875921 452598982 /nfs/dbraw/zinc/59/89/82/452598982.db2.gz HJXNCAIQMVKUNN-AWEZNQCLSA-N 2 1 337.468 1.161 20 0 EDADMP O=S(=O)(NC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000647880326 452617549 /nfs/dbraw/zinc/61/75/49/452617549.db2.gz HUMVRHGFHLDUMP-CYBMUJFWSA-N 2 1 341.452 1.178 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CCC4(CCCC4)O3)cn2)CC1 ZINC000655864134 452618058 /nfs/dbraw/zinc/61/80/58/452618058.db2.gz UDLLSNHJZRUSKK-QGZVFWFLSA-N 2 1 345.491 1.810 20 0 EDADMP [NH3+]C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000655910401 452666144 /nfs/dbraw/zinc/66/61/44/452666144.db2.gz RCFBPCXRLFIOQD-CYBMUJFWSA-N 2 1 330.354 1.403 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1C ZINC000654654240 452761337 /nfs/dbraw/zinc/76/13/37/452761337.db2.gz VJQUKZWDHMZOOR-NXOAAHMSSA-N 2 1 340.512 1.466 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000654654240 452761344 /nfs/dbraw/zinc/76/13/44/452761344.db2.gz VJQUKZWDHMZOOR-NXOAAHMSSA-N 2 1 340.512 1.466 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000654654240 452761349 /nfs/dbraw/zinc/76/13/49/452761349.db2.gz VJQUKZWDHMZOOR-NXOAAHMSSA-N 2 1 340.512 1.466 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000654654240 452761353 /nfs/dbraw/zinc/76/13/53/452761353.db2.gz VJQUKZWDHMZOOR-NXOAAHMSSA-N 2 1 340.512 1.466 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000652611125 452771135 /nfs/dbraw/zinc/77/11/35/452771135.db2.gz YNGUSUNTSLLAAH-HNNXBMFYSA-N 2 1 333.480 1.997 20 0 EDADMP CCN(C(=O)NC[C@H](C)C[NH+]1CCOCC1)[C@H]1CC[N@H+](CC)C1 ZINC000664189845 452860717 /nfs/dbraw/zinc/86/07/17/452860717.db2.gz AGXLMXQLCKABME-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CCN(C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2)[C@@H]1CC[N@H+](C)C1 ZINC000658358793 452864429 /nfs/dbraw/zinc/86/44/29/452864429.db2.gz ZJFVITBUBXBLDS-MRXNPFEDSA-N 2 1 330.432 1.123 20 0 EDADMP CCN(C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2)[C@@H]1CC[N@@H+](C)C1 ZINC000658358793 452864438 /nfs/dbraw/zinc/86/44/38/452864438.db2.gz ZJFVITBUBXBLDS-MRXNPFEDSA-N 2 1 330.432 1.123 20 0 EDADMP CCN(C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[C@@H]1CC[NH+](C)C1 ZINC000658358793 452864447 /nfs/dbraw/zinc/86/44/47/452864447.db2.gz ZJFVITBUBXBLDS-MRXNPFEDSA-N 2 1 330.432 1.123 20 0 EDADMP CCN(C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[C@@H]1CC[NH+](C)C1 ZINC000658358793 452864458 /nfs/dbraw/zinc/86/44/58/452864458.db2.gz ZJFVITBUBXBLDS-MRXNPFEDSA-N 2 1 330.432 1.123 20 0 EDADMP CCc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)on1 ZINC000664202826 452874973 /nfs/dbraw/zinc/87/49/73/452874973.db2.gz KYCUSDMWWDQWJA-ZDUSSCGKSA-N 2 1 325.457 1.308 20 0 EDADMP CCc1cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)on1 ZINC000664202826 452874975 /nfs/dbraw/zinc/87/49/75/452874975.db2.gz KYCUSDMWWDQWJA-ZDUSSCGKSA-N 2 1 325.457 1.308 20 0 EDADMP CNS(=O)(=O)c1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000662276441 453001780 /nfs/dbraw/zinc/00/17/80/453001780.db2.gz IPLYMFLAMKEBDN-MRXNPFEDSA-N 2 1 325.478 1.592 20 0 EDADMP O=C1[C@@H]([N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1CC(F)(F)F ZINC000662298157 453021581 /nfs/dbraw/zinc/02/15/81/453021581.db2.gz UTBIYVCZVXOIKE-KBPBESRZSA-N 2 1 333.398 1.861 20 0 EDADMP O=C1[C@H]([N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1CC(F)(F)F ZINC000662298167 453021886 /nfs/dbraw/zinc/02/18/86/453021886.db2.gz UTBIYVCZVXOIKE-ZIAGYGMSSA-N 2 1 333.398 1.861 20 0 EDADMP CCCCOCC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335907 453053319 /nfs/dbraw/zinc/05/33/19/453053319.db2.gz AYTPJUZZJCJDCR-INIZCTEOSA-N 2 1 335.496 1.815 20 0 EDADMP Cc1noc([C@@H](C)[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338505 453056455 /nfs/dbraw/zinc/05/64/55/453056455.db2.gz SJVBQTQCEMFEHM-OCCSQVGLSA-N 2 1 345.451 1.451 20 0 EDADMP Cc1noc([C@@H](C)[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338505 453056465 /nfs/dbraw/zinc/05/64/65/453056465.db2.gz SJVBQTQCEMFEHM-OCCSQVGLSA-N 2 1 345.451 1.451 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000664406103 453068542 /nfs/dbraw/zinc/06/85/42/453068542.db2.gz POYVJWJNDMDNDY-VYDXJSESSA-N 3 1 339.528 1.040 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000664406103 453068548 /nfs/dbraw/zinc/06/85/48/453068548.db2.gz POYVJWJNDMDNDY-VYDXJSESSA-N 3 1 339.528 1.040 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000664406103 453068556 /nfs/dbraw/zinc/06/85/56/453068556.db2.gz POYVJWJNDMDNDY-VYDXJSESSA-N 3 1 339.528 1.040 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000664406103 453068570 /nfs/dbraw/zinc/06/85/70/453068570.db2.gz POYVJWJNDMDNDY-VYDXJSESSA-N 3 1 339.528 1.040 20 0 EDADMP [NH3+][C@H](C(=O)NCC1CC[NH2+]CC1)c1ccccc1Br ZINC000662395000 453106389 /nfs/dbraw/zinc/10/63/89/453106389.db2.gz HOXAYMJPUNEZKC-ZDUSSCGKSA-N 2 1 326.238 1.565 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000660276220 453166937 /nfs/dbraw/zinc/16/69/37/453166937.db2.gz PCWITMKWANAHPQ-GOSISDBHSA-N 2 1 340.556 1.037 20 0 EDADMP [NH3+][C@H](c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)[C@@H]1CCCO1 ZINC000656455284 453197727 /nfs/dbraw/zinc/19/77/27/453197727.db2.gz BRBVPBNINIYBKN-BPQIPLTHSA-N 2 1 327.432 1.904 20 0 EDADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[NH+](C2CCOCC2)CC1 ZINC000662487351 453204693 /nfs/dbraw/zinc/20/46/93/453204693.db2.gz ATCYIIDBPNCCJL-UHFFFAOYSA-N 2 1 335.473 1.331 20 0 EDADMP CC(C)[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000664575445 453209832 /nfs/dbraw/zinc/20/98/32/453209832.db2.gz BEXZBBZJWJBILI-ULQDDVLXSA-N 2 1 342.528 1.761 20 0 EDADMP CC(C)[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000664575445 453209835 /nfs/dbraw/zinc/20/98/35/453209835.db2.gz BEXZBBZJWJBILI-ULQDDVLXSA-N 2 1 342.528 1.761 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000648733792 453221245 /nfs/dbraw/zinc/22/12/45/453221245.db2.gz JCSHMHXYWMEZHW-YQVWRLOYSA-N 2 1 344.503 1.654 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000648733792 453221252 /nfs/dbraw/zinc/22/12/52/453221252.db2.gz JCSHMHXYWMEZHW-YQVWRLOYSA-N 2 1 344.503 1.654 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2cccc(C[NH+]3CCO[C@H](C)C3)c2)CC[N@@H+]1C ZINC000648750483 453233259 /nfs/dbraw/zinc/23/32/59/453233259.db2.gz SIMKOWYDUDQINC-GPMSIDNRSA-N 2 1 345.487 1.864 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2cccc(C[NH+]3CCO[C@H](C)C3)c2)CC[N@H+]1C ZINC000648750483 453233266 /nfs/dbraw/zinc/23/32/66/453233266.db2.gz SIMKOWYDUDQINC-GPMSIDNRSA-N 2 1 345.487 1.864 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC[NH+]1C ZINC000648750483 453233272 /nfs/dbraw/zinc/23/32/72/453233272.db2.gz SIMKOWYDUDQINC-GPMSIDNRSA-N 2 1 345.487 1.864 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC[NH+]1C ZINC000648750483 453233275 /nfs/dbraw/zinc/23/32/75/453233275.db2.gz SIMKOWYDUDQINC-GPMSIDNRSA-N 2 1 345.487 1.864 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000664617452 453252810 /nfs/dbraw/zinc/25/28/10/453252810.db2.gz LWSVLFASTGVTRW-ARFHVFGLSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000664617452 453252816 /nfs/dbraw/zinc/25/28/16/453252816.db2.gz LWSVLFASTGVTRW-ARFHVFGLSA-N 2 1 328.501 1.373 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653109186 453294446 /nfs/dbraw/zinc/29/44/46/453294446.db2.gz WVPMIDMQAMJBKX-MOPGFXCFSA-N 2 1 343.471 1.666 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000648833449 453314461 /nfs/dbraw/zinc/31/44/61/453314461.db2.gz LOMCPSKWRXFPGA-JKSUJKDBSA-N 2 1 336.480 1.750 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000648833449 453314468 /nfs/dbraw/zinc/31/44/68/453314468.db2.gz LOMCPSKWRXFPGA-JKSUJKDBSA-N 2 1 336.480 1.750 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653151710 453340311 /nfs/dbraw/zinc/34/03/11/453340311.db2.gz POHGKWZVPJONDH-WMZOPIPTSA-N 2 1 332.492 1.388 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000664717673 453344802 /nfs/dbraw/zinc/34/48/02/453344802.db2.gz RMNQKBJEESQGRP-GJZGRUSLSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000664717673 453344809 /nfs/dbraw/zinc/34/48/09/453344809.db2.gz RMNQKBJEESQGRP-GJZGRUSLSA-N 2 1 328.501 1.515 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000664719420 453347423 /nfs/dbraw/zinc/34/74/23/453347423.db2.gz RJIMSXAQWRIDCF-UHFFFAOYSA-N 2 1 336.484 1.361 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000651197078 453351176 /nfs/dbraw/zinc/35/11/76/453351176.db2.gz VGEDJFDISTWCNQ-MRXNPFEDSA-N 2 1 328.501 1.110 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000651197078 453351182 /nfs/dbraw/zinc/35/11/82/453351182.db2.gz VGEDJFDISTWCNQ-MRXNPFEDSA-N 2 1 328.501 1.110 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000651197078 453351185 /nfs/dbraw/zinc/35/11/85/453351185.db2.gz VGEDJFDISTWCNQ-MRXNPFEDSA-N 2 1 328.501 1.110 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000667045120 453361501 /nfs/dbraw/zinc/36/15/01/453361501.db2.gz YEWHDMXAEBGFFM-IBGZPJMESA-N 3 1 333.476 1.711 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000667045120 453361506 /nfs/dbraw/zinc/36/15/06/453361506.db2.gz YEWHDMXAEBGFFM-IBGZPJMESA-N 3 1 333.476 1.711 20 0 EDADMP C[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000667054827 453371636 /nfs/dbraw/zinc/37/16/36/453371636.db2.gz WWRMAEIIXUKZRA-RHSMWYFYSA-N 2 1 332.448 1.977 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000658777598 453381205 /nfs/dbraw/zinc/38/12/05/453381205.db2.gz DGOYUJLWNZIZBJ-QGZVFWFLSA-N 2 1 346.475 1.330 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000662701482 453423800 /nfs/dbraw/zinc/42/38/00/453423800.db2.gz QUIKMHBXEJDION-BZSNNMDCSA-N 2 1 331.460 1.031 20 0 EDADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646478478 453424867 /nfs/dbraw/zinc/42/48/67/453424867.db2.gz FLCQNAPPYSJGQJ-BPQIPLTHSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646478478 453424878 /nfs/dbraw/zinc/42/48/78/453424878.db2.gz FLCQNAPPYSJGQJ-BPQIPLTHSA-N 2 1 331.460 1.438 20 0 EDADMP C[NH+](C)Cc1ccc(NC(=O)COCC[NH3+])cc1Br ZINC000646497157 453440698 /nfs/dbraw/zinc/44/06/98/453440698.db2.gz QKDZHTHDRAHBAC-UHFFFAOYSA-N 2 1 330.226 1.425 20 0 EDADMP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000656787227 453447047 /nfs/dbraw/zinc/44/70/47/453447047.db2.gz HNXNAPKZMYSBHR-LEUOFYLZSA-N 2 1 341.455 1.492 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664918142 453482854 /nfs/dbraw/zinc/48/28/54/453482854.db2.gz AFGSNPOUUGLWOZ-IRXDYDNUSA-N 2 1 340.512 1.611 20 0 EDADMP [NH3+][C@H]1C[C@H](C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000662756067 453492148 /nfs/dbraw/zinc/49/21/48/453492148.db2.gz FTJMZRPIWFHFLF-CTYIDZIISA-N 2 1 336.867 1.316 20 0 EDADMP C[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655408543 453509675 /nfs/dbraw/zinc/50/96/75/453509675.db2.gz VQNCQLMSDWHCKA-NCOADZHNSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655408543 453509682 /nfs/dbraw/zinc/50/96/82/453509682.db2.gz VQNCQLMSDWHCKA-NCOADZHNSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655408543 453509693 /nfs/dbraw/zinc/50/96/93/453509693.db2.gz VQNCQLMSDWHCKA-NCOADZHNSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@H](CNC(=O)CC[C@@H]1CCCC[NH+]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655408543 453509702 /nfs/dbraw/zinc/50/97/02/453509702.db2.gz VQNCQLMSDWHCKA-NCOADZHNSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@H](CNC(=O)CC[C@@H]1CCCC[NH+]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655408543 453509710 /nfs/dbraw/zinc/50/97/10/453509710.db2.gz VQNCQLMSDWHCKA-NCOADZHNSA-N 2 1 325.497 1.865 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655448204 453535127 /nfs/dbraw/zinc/53/51/27/453535127.db2.gz VOCMTAZHPFPGIR-MAUKXSAKSA-N 2 1 330.432 1.515 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655448203 453535503 /nfs/dbraw/zinc/53/55/03/453535503.db2.gz VOCMTAZHPFPGIR-CRAIPNDOSA-N 2 1 330.432 1.515 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H](C)C1 ZINC000655448808 453537101 /nfs/dbraw/zinc/53/71/01/453537101.db2.gz YDPJNKWLAIITHJ-DWRORGKVSA-N 2 1 337.508 1.629 20 0 EDADMP O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662857582 453573357 /nfs/dbraw/zinc/57/33/57/453573357.db2.gz BKKQASGKVBEFGW-FUHWJXTLSA-N 2 1 331.460 1.259 20 0 EDADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000662867327 453579644 /nfs/dbraw/zinc/57/96/44/453579644.db2.gz WEDXKGNPVZDYDC-OAOYMFHYSA-N 2 1 345.487 1.987 20 0 EDADMP CC(C)(C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]([NH3+])c1ccccc1 ZINC000662906695 453597470 /nfs/dbraw/zinc/59/74/70/453597470.db2.gz KCTUNQJLAFPXQJ-IRXDYDNUSA-N 2 1 330.476 1.219 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660851117 453609078 /nfs/dbraw/zinc/60/90/78/453609078.db2.gz XVNZSJFZJCPYAQ-UHFFFAOYSA-N 2 1 349.479 1.382 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)C1 ZINC000665240906 453620797 /nfs/dbraw/zinc/62/07/97/453620797.db2.gz VSNXRZILVRCLFZ-VNTMZGSJSA-N 3 1 329.488 1.731 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665246311 453622536 /nfs/dbraw/zinc/62/25/36/453622536.db2.gz BMNOBYYDDPFJAA-ZDUSSCGKSA-N 2 1 325.478 1.873 20 0 EDADMP CCN(C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000665254701 453627406 /nfs/dbraw/zinc/62/74/06/453627406.db2.gz XNTPRJIKDICEKX-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP CCN(C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000665254701 453627407 /nfs/dbraw/zinc/62/74/07/453627407.db2.gz XNTPRJIKDICEKX-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP CCN(C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000665254701 453627408 /nfs/dbraw/zinc/62/74/08/453627408.db2.gz XNTPRJIKDICEKX-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP CCN(C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000665254701 453627410 /nfs/dbraw/zinc/62/74/10/453627410.db2.gz XNTPRJIKDICEKX-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000665291988 453638135 /nfs/dbraw/zinc/63/81/35/453638135.db2.gz PXZXYDHJKPBJAI-SNVBAGLBSA-N 2 1 341.415 1.721 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)c2C1 ZINC000659109702 453641644 /nfs/dbraw/zinc/64/16/44/453641644.db2.gz MKFHDZCDCICSIX-HUUCEWRRSA-N 2 1 348.422 1.248 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)c2C1 ZINC000659109702 453641646 /nfs/dbraw/zinc/64/16/46/453641646.db2.gz MKFHDZCDCICSIX-HUUCEWRRSA-N 2 1 348.422 1.248 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000659112916 453643463 /nfs/dbraw/zinc/64/34/63/453643463.db2.gz SOLSKUPYNUQVMD-ZIAGYGMSSA-N 2 1 346.475 1.709 20 0 EDADMP c1c([C@@H]2CCC[N@H+](CC[C@H]3CCOC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000663512149 453813177 /nfs/dbraw/zinc/81/31/77/453813177.db2.gz MKFGQOIVSANYTC-JKSUJKDBSA-N 2 1 333.480 1.425 20 0 EDADMP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000054511758 486699575 /nfs/dbraw/zinc/69/95/75/486699575.db2.gz MVRGMKMRKUBOBS-NCOADZHNSA-N 2 1 340.512 1.515 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000054511758 486699578 /nfs/dbraw/zinc/69/95/78/486699578.db2.gz MVRGMKMRKUBOBS-NCOADZHNSA-N 2 1 340.512 1.515 20 0 EDADMP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000054511758 486699583 /nfs/dbraw/zinc/69/95/83/486699583.db2.gz MVRGMKMRKUBOBS-NCOADZHNSA-N 2 1 340.512 1.515 20 0 EDADMP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000054511758 486699585 /nfs/dbraw/zinc/69/95/85/486699585.db2.gz MVRGMKMRKUBOBS-NCOADZHNSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676242563 486702250 /nfs/dbraw/zinc/70/22/50/486702250.db2.gz YDNKJMJEBKSHFW-CVEARBPZSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676242563 486702251 /nfs/dbraw/zinc/70/22/51/486702251.db2.gz YDNKJMJEBKSHFW-CVEARBPZSA-N 2 1 340.512 1.659 20 0 EDADMP CCN(C(=O)CN1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000680640646 486838542 /nfs/dbraw/zinc/83/85/42/486838542.db2.gz ODDGRZOJKDDVMW-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CCN(C(=O)CN1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000680640646 486838552 /nfs/dbraw/zinc/83/85/52/486838552.db2.gz ODDGRZOJKDDVMW-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000431007072 486901203 /nfs/dbraw/zinc/90/12/03/486901203.db2.gz SUYHBUPFKRWHQD-MOPGFXCFSA-N 2 1 344.503 1.568 20 0 EDADMP [NH3+]Cc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000667726333 486935991 /nfs/dbraw/zinc/93/59/91/486935991.db2.gz RQFDRIGBKZBGFM-SJORKVTESA-N 2 1 332.448 1.910 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000667742334 486943262 /nfs/dbraw/zinc/94/32/62/486943262.db2.gz PBKNJWOSMLAWBB-GOSISDBHSA-N 2 1 344.459 1.661 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000684256110 487003958 /nfs/dbraw/zinc/00/39/58/487003958.db2.gz BCGLSUXPUPEZRK-CEXWTWQISA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000684256110 487003965 /nfs/dbraw/zinc/00/39/65/487003965.db2.gz BCGLSUXPUPEZRK-CEXWTWQISA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000684256110 487003971 /nfs/dbraw/zinc/00/39/71/487003971.db2.gz BCGLSUXPUPEZRK-CEXWTWQISA-N 2 1 342.487 1.854 20 0 EDADMP CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677236234 487018441 /nfs/dbraw/zinc/01/84/41/487018441.db2.gz AMVDLVUZVPWPLW-SJORKVTESA-N 2 1 337.489 1.452 20 0 EDADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673519136 487043018 /nfs/dbraw/zinc/04/30/18/487043018.db2.gz YXKZITKFPPWUCI-QRVBRYPASA-N 2 1 343.471 1.319 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000673519136 487043022 /nfs/dbraw/zinc/04/30/22/487043022.db2.gz YXKZITKFPPWUCI-QRVBRYPASA-N 2 1 343.471 1.319 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000673519136 487043026 /nfs/dbraw/zinc/04/30/26/487043026.db2.gz YXKZITKFPPWUCI-QRVBRYPASA-N 2 1 343.471 1.319 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673530942 487050143 /nfs/dbraw/zinc/05/01/43/487050143.db2.gz MRDYQFGDZSYSNI-RTBURBONSA-N 2 1 345.487 1.472 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000673875931 487143015 /nfs/dbraw/zinc/14/30/15/487143015.db2.gz HOVMVSZCTGNCSL-INIZCTEOSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000681970426 487268089 /nfs/dbraw/zinc/26/80/89/487268089.db2.gz UWOLDHZPQRFCHJ-HUUCEWRRSA-N 2 1 340.512 1.203 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532424938 487350480 /nfs/dbraw/zinc/35/04/80/487350480.db2.gz JUSCLGZKPJASFT-BBWFWOEESA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000678955918 487381717 /nfs/dbraw/zinc/38/17/17/487381717.db2.gz FVXNWUGNMHANRD-VQIMIIECSA-N 2 1 335.467 1.925 20 0 EDADMP Cc1ccc(CNC(=O)NCCOCC[NH+](C)C)c(N2CCCC2)[nH+]1 ZINC000682615006 487397755 /nfs/dbraw/zinc/39/77/55/487397755.db2.gz WSZVAGKYKOWTAQ-UHFFFAOYSA-N 2 1 349.479 1.368 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000679764079 487464039 /nfs/dbraw/zinc/46/40/39/487464039.db2.gz RHBPQSDBPNAYIO-ROUUACIJSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000679764079 487464040 /nfs/dbraw/zinc/46/40/40/487464040.db2.gz RHBPQSDBPNAYIO-ROUUACIJSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000679764079 487464041 /nfs/dbraw/zinc/46/40/41/487464041.db2.gz RHBPQSDBPNAYIO-ROUUACIJSA-N 2 1 346.475 1.147 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669519456 485485355 /nfs/dbraw/zinc/48/53/55/485485355.db2.gz BMAZHRUCDXFOTK-VKJFTORMSA-N 2 1 331.460 1.933 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@H](C)O1 ZINC000668962994 485499382 /nfs/dbraw/zinc/49/93/82/485499382.db2.gz KLTMQBRPSAGRPV-FZKCQIBNSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@H](C)O1 ZINC000668962994 485499389 /nfs/dbraw/zinc/49/93/89/485499389.db2.gz KLTMQBRPSAGRPV-FZKCQIBNSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669552612 485547428 /nfs/dbraw/zinc/54/74/28/485547428.db2.gz DXYNVEKQZRDFMP-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP CN(CC[NH3+])C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000669556917 485560184 /nfs/dbraw/zinc/56/01/84/485560184.db2.gz NUEMGYGDCNRJFN-FGTMMUONSA-N 2 1 330.476 1.887 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC1([NH3+])CCCCC1)N1CC[NH+](C)CC1 ZINC000669042563 485595528 /nfs/dbraw/zinc/59/55/28/485595528.db2.gz OZAVVJDSCUMNBL-INIZCTEOSA-N 2 1 339.528 1.219 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CC1([NH3+])CCC1 ZINC000237138003 485953980 /nfs/dbraw/zinc/95/39/80/485953980.db2.gz HUGYNNGTKOOFSL-UHFFFAOYSA-N 2 1 330.476 1.539 20 0 EDADMP COc1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1F ZINC000328169939 486051727 /nfs/dbraw/zinc/05/17/27/486051727.db2.gz TTXCJFBWDLDBSG-ZBFHGGJFSA-N 2 1 349.450 1.915 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000629174114 486113654 /nfs/dbraw/zinc/11/36/54/486113654.db2.gz BKWGKEMEPKMFPF-GOSISDBHSA-N 2 1 331.460 1.081 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(c2nnc([C@@H]3C[NH+]4CCC[C@@H]4CO3)n2C)C[C@@H]1C ZINC000668931831 486358001 /nfs/dbraw/zinc/35/80/01/486358001.db2.gz PKJHLKBEHJGRQW-JJXSEGSLSA-N 2 1 348.495 1.270 20 0 EDADMP CC[NH+]1C[C@@H](C)N(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2C)C[C@@H]1C ZINC000668931831 486358007 /nfs/dbraw/zinc/35/80/07/486358007.db2.gz PKJHLKBEHJGRQW-JJXSEGSLSA-N 2 1 348.495 1.270 20 0 EDADMP CC[NH+]1C[C@@H](C)N(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2C)C[C@@H]1C ZINC000668931831 486358011 /nfs/dbraw/zinc/35/80/11/486358011.db2.gz PKJHLKBEHJGRQW-JJXSEGSLSA-N 2 1 348.495 1.270 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000134040770 491224359 /nfs/dbraw/zinc/22/43/59/491224359.db2.gz ZVNSRNYBDSABPS-QGZVFWFLSA-N 2 1 345.491 1.891 20 0 EDADMP C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000134971815 491226398 /nfs/dbraw/zinc/22/63/98/491226398.db2.gz MWFIYDUVNSZTNI-MAUKXSAKSA-N 2 1 331.460 1.731 20 0 EDADMP C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000134971815 491226401 /nfs/dbraw/zinc/22/64/01/491226401.db2.gz MWFIYDUVNSZTNI-MAUKXSAKSA-N 2 1 331.460 1.731 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000085424508 491189077 /nfs/dbraw/zinc/18/90/77/491189077.db2.gz BGCUDGLKMYZVPT-CVEARBPZSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C[NH+]1CCCCC1 ZINC000154788323 534012952 /nfs/dbraw/zinc/01/29/52/534012952.db2.gz FYBSIZMWMOUNKF-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158793134 534574733 /nfs/dbraw/zinc/57/47/33/534574733.db2.gz SBTADASQLSRSPO-MJGOQNOKSA-N 2 1 345.512 1.989 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000168003175 529278393 /nfs/dbraw/zinc/27/83/93/529278393.db2.gz OQKIFCIPQRYVRN-FZCLSBEQSA-N 2 1 333.476 1.626 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000346387024 535206965 /nfs/dbraw/zinc/20/69/65/535206965.db2.gz ZFIKUKHMTZVQDS-BRWVUGGUSA-N 2 1 341.496 1.101 20 0 EDADMP CC[NH+]1CCC([NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000271661285 535474388 /nfs/dbraw/zinc/47/43/88/535474388.db2.gz DKIFBCCZPFQNSO-UHFFFAOYSA-N 2 1 341.477 1.511 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCS1 ZINC000246288757 535595716 /nfs/dbraw/zinc/59/57/16/535595716.db2.gz CEBVGICBLBZXHB-JKSUJKDBSA-N 2 1 342.553 1.940 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000077745941 535644997 /nfs/dbraw/zinc/64/49/97/535644997.db2.gz CTQYLYKBKQUZFG-IRXDYDNUSA-N 2 1 342.528 1.763 20 0 EDADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000236943989 535653188 /nfs/dbraw/zinc/65/31/88/535653188.db2.gz ATTVNLMTJYOETH-CHWSQXEVSA-N 2 1 339.402 1.473 20 0 EDADMP CCC[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000236813408 535677168 /nfs/dbraw/zinc/67/71/68/535677168.db2.gz ITXYZNZZLYZRGF-UXLLHSPISA-N 2 1 325.497 1.852 20 0 EDADMP CCC[C@H]([NH3+])C(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246167385 535680320 /nfs/dbraw/zinc/68/03/20/535680320.db2.gz AWXZORYGYPEZKV-RCCFBDPRSA-N 2 1 333.476 1.910 20 0 EDADMP CCC[C@H]([NH3+])C(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246167385 535680325 /nfs/dbraw/zinc/68/03/25/535680325.db2.gz AWXZORYGYPEZKV-RCCFBDPRSA-N 2 1 333.476 1.910 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000269290011 535705235 /nfs/dbraw/zinc/70/52/35/535705235.db2.gz KQTSAHRPUPFZTD-FUHWJXTLSA-N 2 1 332.492 1.119 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000262658710 535721066 /nfs/dbraw/zinc/72/10/66/535721066.db2.gz WAWSENTVISFAGZ-IRXDYDNUSA-N 2 1 330.476 1.890 20 0 EDADMP C[NH2+][C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000262457221 536381072 /nfs/dbraw/zinc/38/10/72/536381072.db2.gz WPWOPXACVJSJGT-SFHVURJKSA-N 2 1 341.459 1.461 20 0 EDADMP C[NH2+][C@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000261689996 536411566 /nfs/dbraw/zinc/41/15/66/536411566.db2.gz DYXQBGWDIMHMKW-SFHVURJKSA-N 2 1 330.476 1.015 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000352729644 536750598 /nfs/dbraw/zinc/75/05/98/536750598.db2.gz AFLDMGFWBCWSFC-UHFFFAOYSA-N 2 1 326.485 1.269 20 0 EDADMP COc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1OC(C)C ZINC000347227822 536755440 /nfs/dbraw/zinc/75/54/40/536755440.db2.gz WLXMHTMIOSBQNN-INIZCTEOSA-N 2 1 349.475 1.769 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(N)nc(Cl)c2)CC1 ZINC000726769054 578359111 /nfs/dbraw/zinc/35/91/11/578359111.db2.gz BODYHWOMXPXGCN-UHFFFAOYSA-N 2 1 346.822 1.716 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734280484 578805139 /nfs/dbraw/zinc/80/51/39/578805139.db2.gz LMSKKZCPFODDRG-WBVHZDCISA-N 2 1 336.480 1.166 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000746618227 579603555 /nfs/dbraw/zinc/60/35/55/579603555.db2.gz MFARARMNXZAFGU-MRXNPFEDSA-N 2 1 339.480 1.348 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000748150449 579672175 /nfs/dbraw/zinc/67/21/75/579672175.db2.gz CWZLJPYYLBTCSO-HOTGVXAUSA-N 2 1 342.553 1.388 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCSCC1 ZINC000750879415 579785423 /nfs/dbraw/zinc/78/54/23/579785423.db2.gz RIFDDGDJXXHUBB-ZBFHGGJFSA-N 2 1 341.521 1.183 20 0 EDADMP CCO[C@@H](CC[NH+](C)C)CNC(=S)NC[C@H]1CCC[N@H+]1CC ZINC000753961582 579892411 /nfs/dbraw/zinc/89/24/11/579892411.db2.gz AROPYXONIYWWRF-CABCVRRESA-N 2 1 330.542 1.292 20 0 EDADMP COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1Cn1cccn1 ZINC000762785982 580083156 /nfs/dbraw/zinc/08/31/56/580083156.db2.gz JHLIZVCSURFUEW-BEFAXECRSA-N 2 1 344.459 1.657 20 0 EDADMP COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1Cn1cccn1 ZINC000762785982 580083157 /nfs/dbraw/zinc/08/31/57/580083157.db2.gz JHLIZVCSURFUEW-BEFAXECRSA-N 2 1 344.459 1.657 20 0 EDADMP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000763058097 580091316 /nfs/dbraw/zinc/09/13/16/580091316.db2.gz XPXWHBXUOFTIGD-SJLPKXTDSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000763058097 580091317 /nfs/dbraw/zinc/09/13/17/580091317.db2.gz XPXWHBXUOFTIGD-SJLPKXTDSA-N 2 1 345.487 1.876 20 0 EDADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000764022992 580111603 /nfs/dbraw/zinc/11/16/03/580111603.db2.gz XZEUPURAWNQZJB-LJQANCHMSA-N 2 1 348.535 1.537 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)CC[N@H+]1C ZINC000765279118 580139230 /nfs/dbraw/zinc/13/92/30/580139230.db2.gz FOSYRMVJEJJYQB-BZPMIXESSA-N 2 1 334.386 1.632 20 0 EDADMP OCC1(Cc2ccccc2)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000769998881 580250623 /nfs/dbraw/zinc/25/06/23/580250623.db2.gz DLZGRBMGDMEQBQ-LJQANCHMSA-N 2 1 332.488 1.760 20 0 EDADMP O=C([C@H]1CC12CC[NH+](C[C@H](O)C[NH+]1CCCC1)CC2)N1CCCCC1 ZINC000771466646 580287491 /nfs/dbraw/zinc/28/74/91/580287491.db2.gz GENGDBGLZURIOG-QZTJIDSGSA-N 2 1 349.519 1.558 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000776043260 580406819 /nfs/dbraw/zinc/40/68/19/580406819.db2.gz DLAAENZLPVVILT-KRWDZBQOSA-N 2 1 336.480 1.191 20 0 EDADMP CCCCc1nc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000779652515 580493202 /nfs/dbraw/zinc/49/32/02/580493202.db2.gz UIZKTKZGOXEZFZ-LBPRGKRZSA-N 2 1 325.413 1.520 20 0 EDADMP CCCCc1nc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000779652515 580493203 /nfs/dbraw/zinc/49/32/03/580493203.db2.gz UIZKTKZGOXEZFZ-LBPRGKRZSA-N 2 1 325.413 1.520 20 0 EDADMP CCOC(=O)N1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000781421947 580549173 /nfs/dbraw/zinc/54/91/73/580549173.db2.gz JCGCDUFSPZRGJP-KRWDZBQOSA-N 2 1 339.480 1.840 20 0 EDADMP C[C@@H](CN1CCOCC1)OC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000786828618 580680466 /nfs/dbraw/zinc/68/04/66/580680466.db2.gz YRILXUGETODOOI-INIZCTEOSA-N 2 1 332.444 1.699 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC000891854046 590656078 /nfs/dbraw/zinc/65/60/78/590656078.db2.gz ABHSZTXBTJYNBZ-WCXIOVBPSA-N 2 1 338.496 1.317 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C[C@@H]1C(F)(F)F ZINC000891857934 590658039 /nfs/dbraw/zinc/65/80/39/590658039.db2.gz HVSPRHMYCAZDIA-BNOWGMLFSA-N 2 1 348.413 1.782 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000891881480 590668210 /nfs/dbraw/zinc/66/82/10/590668210.db2.gz GAHBSYKAQDYCDB-MRXNPFEDSA-N 2 1 330.476 1.828 20 0 EDADMP C[C@@H]1CCC[NH+]1CCNC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000891881480 590668214 /nfs/dbraw/zinc/66/82/14/590668214.db2.gz GAHBSYKAQDYCDB-MRXNPFEDSA-N 2 1 330.476 1.828 20 0 EDADMP C[C@@H]1CCC[NH+]1CCNC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000891881480 590668217 /nfs/dbraw/zinc/66/82/17/590668217.db2.gz GAHBSYKAQDYCDB-MRXNPFEDSA-N 2 1 330.476 1.828 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000891980439 590722232 /nfs/dbraw/zinc/72/22/32/590722232.db2.gz VIBYHTFXQDISSW-ZWKOTPCHSA-N 2 1 330.476 1.868 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000892040317 590766248 /nfs/dbraw/zinc/76/62/48/590766248.db2.gz KGAKHRUGGPGXAO-INIZCTEOSA-N 2 1 340.512 1.443 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000892077693 590788901 /nfs/dbraw/zinc/78/89/01/590788901.db2.gz KAWZWPQYVPIUAK-BPQIPLTHSA-N 2 1 330.476 1.867 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000892140920 590819430 /nfs/dbraw/zinc/81/94/30/590819430.db2.gz FHLLXFMMILPTPJ-ZMSDIMECSA-N 2 1 334.464 1.231 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000892140920 590819436 /nfs/dbraw/zinc/81/94/36/590819436.db2.gz FHLLXFMMILPTPJ-ZMSDIMECSA-N 2 1 334.464 1.231 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cn(C)nc2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892154275 590825591 /nfs/dbraw/zinc/82/55/91/590825591.db2.gz WLPWSIBLIUEEMR-CRAIPNDOSA-N 2 1 331.508 1.755 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892154275 590825595 /nfs/dbraw/zinc/82/55/95/590825595.db2.gz WLPWSIBLIUEEMR-CRAIPNDOSA-N 2 1 331.508 1.755 20 0 EDADMP COc1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(C)c1 ZINC000892174913 590845188 /nfs/dbraw/zinc/84/51/88/590845188.db2.gz HPCAOHOKINQDOQ-SFHVURJKSA-N 2 1 331.460 1.742 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cn1 ZINC000892196164 590859238 /nfs/dbraw/zinc/85/92/38/590859238.db2.gz CLRUNNUQULZLND-JKSUJKDBSA-N 2 1 340.431 1.421 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cn1 ZINC000892196164 590859240 /nfs/dbraw/zinc/85/92/40/590859240.db2.gz CLRUNNUQULZLND-JKSUJKDBSA-N 2 1 340.431 1.421 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000892229011 590874648 /nfs/dbraw/zinc/87/46/48/590874648.db2.gz LVQUKWTXIGJCNU-INIZCTEOSA-N 2 1 334.464 1.050 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@@H]1C(F)(F)F ZINC000892234984 590879550 /nfs/dbraw/zinc/87/95/50/590879550.db2.gz BNHRAMRDCXZWGV-XJFOESAGSA-N 2 1 348.413 1.782 20 0 EDADMP CC1(C)CC[C@@H](CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)[NH2+]C1 ZINC000892384586 591004910 /nfs/dbraw/zinc/00/49/10/591004910.db2.gz NWTHBBJHCDATJA-HOTGVXAUSA-N 2 1 331.464 1.516 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000893620560 591013460 /nfs/dbraw/zinc/01/34/60/591013460.db2.gz CRUFBLRRRHHULD-YSHGAJCASA-N 2 1 342.487 1.852 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000893620560 591013464 /nfs/dbraw/zinc/01/34/64/591013464.db2.gz CRUFBLRRRHHULD-YSHGAJCASA-N 2 1 342.487 1.852 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000893620560 591013468 /nfs/dbraw/zinc/01/34/68/591013468.db2.gz CRUFBLRRRHHULD-YSHGAJCASA-N 2 1 342.487 1.852 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891346711 591052261 /nfs/dbraw/zinc/05/22/61/591052261.db2.gz CCSMEAUIKMHBKO-MJGOQNOKSA-N 2 1 328.460 1.629 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892615263 591097493 /nfs/dbraw/zinc/09/74/93/591097493.db2.gz PKWRZHQLRNIZFV-HIFRSBDPSA-N 2 1 338.402 1.717 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892615263 591097494 /nfs/dbraw/zinc/09/74/94/591097494.db2.gz PKWRZHQLRNIZFV-HIFRSBDPSA-N 2 1 338.402 1.717 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000891536609 591113837 /nfs/dbraw/zinc/11/38/37/591113837.db2.gz DNCDKJVJUJQUQK-HNNXBMFYSA-N 2 1 326.485 1.400 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000893872401 591123452 /nfs/dbraw/zinc/12/34/52/591123452.db2.gz KMGGMFLFBUBWKS-CGQZWFTASA-N 2 1 331.460 1.851 20 0 EDADMP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000893876992 591125414 /nfs/dbraw/zinc/12/54/14/591125414.db2.gz DHGCYDXXIQLEOY-XWTMOSNGSA-N 2 1 328.460 1.635 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000891623140 591154355 /nfs/dbraw/zinc/15/43/55/591154355.db2.gz MFVCEHYCNQCEIN-DLBZAZTESA-N 2 1 338.496 1.103 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892774672 591172640 /nfs/dbraw/zinc/17/26/40/591172640.db2.gz UFYQHODFSRKZTG-JKSUJKDBSA-N 2 1 338.496 1.128 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)C2)C1 ZINC000892795305 591182454 /nfs/dbraw/zinc/18/24/54/591182454.db2.gz UQONPISHGJFEJX-MJGOQNOKSA-N 2 1 328.460 1.438 20 0 EDADMP CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000892943110 591232721 /nfs/dbraw/zinc/23/27/21/591232721.db2.gz DHWIUIMOSJQIPX-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000895627329 591235367 /nfs/dbraw/zinc/23/53/67/591235367.db2.gz FQECYXUWYHYHBV-PMPSAXMXSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895627329 591235369 /nfs/dbraw/zinc/23/53/69/591235369.db2.gz FQECYXUWYHYHBV-PMPSAXMXSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000895627329 591235371 /nfs/dbraw/zinc/23/53/71/591235371.db2.gz FQECYXUWYHYHBV-PMPSAXMXSA-N 2 1 338.496 1.100 20 0 EDADMP COC(=O)c1cnc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000894255379 591249916 /nfs/dbraw/zinc/24/99/16/591249916.db2.gz XSWQTBVKYMWRBW-LBPRGKRZSA-N 2 1 338.477 1.188 20 0 EDADMP CN(C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@H]1CCC[N@@H+](C)C1 ZINC000895898908 591299196 /nfs/dbraw/zinc/29/91/96/591299196.db2.gz BYOCOGBHBNRIDP-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH+](C)C1 ZINC000895898908 591299197 /nfs/dbraw/zinc/29/91/97/591299197.db2.gz BYOCOGBHBNRIDP-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP Cc1cc(Br)cc(NCCCN2CCC[C@H]2C(N)=O)n1 ZINC000894727256 591396535 /nfs/dbraw/zinc/39/65/35/591396535.db2.gz ZCHKNLOZOPSUCJ-LBPRGKRZSA-N 2 1 341.253 1.904 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)NCC[NH+]2CCC(C)(C)C2)CC1 ZINC000898595844 591429060 /nfs/dbraw/zinc/42/90/60/591429060.db2.gz KURPLOXNFXFOJJ-UHFFFAOYSA-N 2 1 340.512 1.207 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898595844 591429063 /nfs/dbraw/zinc/42/90/63/591429063.db2.gz KURPLOXNFXFOJJ-UHFFFAOYSA-N 2 1 340.512 1.207 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)[C@H](C)C1 ZINC000896400915 591452715 /nfs/dbraw/zinc/45/27/15/591452715.db2.gz PCNATRSALXDESI-AOIWGVFYSA-N 2 1 337.508 1.726 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)[C@H](C)C1 ZINC000896400915 591452717 /nfs/dbraw/zinc/45/27/17/591452717.db2.gz PCNATRSALXDESI-AOIWGVFYSA-N 2 1 337.508 1.726 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)[C@H](C)C1 ZINC000896400915 591452720 /nfs/dbraw/zinc/45/27/20/591452720.db2.gz PCNATRSALXDESI-AOIWGVFYSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000897498387 591501442 /nfs/dbraw/zinc/50/14/42/591501442.db2.gz PKUSLHPMFGLSSH-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000897498387 591501444 /nfs/dbraw/zinc/50/14/44/591501444.db2.gz PKUSLHPMFGLSSH-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1CCC[NH+]1CCNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000897498387 591501447 /nfs/dbraw/zinc/50/14/47/591501447.db2.gz PKUSLHPMFGLSSH-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1CCC[NH+]1CCNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000897498387 591501449 /nfs/dbraw/zinc/50/14/49/591501449.db2.gz PKUSLHPMFGLSSH-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c4c(nn3C)CCC4)CC2)CC1 ZINC000894978168 591506672 /nfs/dbraw/zinc/50/66/72/591506672.db2.gz LGDYNFXSAGLSFX-UHFFFAOYSA-N 2 1 345.535 1.901 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCN1C ZINC000896567921 591529708 /nfs/dbraw/zinc/52/97/08/591529708.db2.gz JSEZMQCEEOHAME-UHOSZYNNSA-N 2 1 344.503 1.402 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896567921 591529712 /nfs/dbraw/zinc/52/97/12/591529712.db2.gz JSEZMQCEEOHAME-UHOSZYNNSA-N 2 1 344.503 1.402 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896567921 591529716 /nfs/dbraw/zinc/52/97/16/591529716.db2.gz JSEZMQCEEOHAME-UHOSZYNNSA-N 2 1 344.503 1.402 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000896623331 591556929 /nfs/dbraw/zinc/55/69/29/591556929.db2.gz CMXLNIABHGNBLW-INIZCTEOSA-N 3 1 326.529 1.591 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000896623331 591556931 /nfs/dbraw/zinc/55/69/31/591556931.db2.gz CMXLNIABHGNBLW-INIZCTEOSA-N 2 1 326.529 1.591 20 0 EDADMP CCO[C@H](C[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C[NH+](C)C ZINC000896879663 591644876 /nfs/dbraw/zinc/64/48/76/591644876.db2.gz DLBRHJVAFCLTHZ-IIDMSEBBSA-N 2 1 341.496 1.800 20 0 EDADMP COc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc(Cl)c1OCC(N)=O ZINC000895300580 591705234 /nfs/dbraw/zinc/70/52/34/591705234.db2.gz ZZFPYPMZSXVMLL-LLVKDONJSA-N 2 1 343.855 1.643 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897101558 591739947 /nfs/dbraw/zinc/73/99/47/591739947.db2.gz ONVKCKIADFVGMA-INIZCTEOSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)(O)C[NH+]1CCC(NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000897229914 591779676 /nfs/dbraw/zinc/77/96/76/591779676.db2.gz YNWXJVVDGSHWRT-QGZVFWFLSA-N 2 1 325.497 1.065 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCN2C2CCOCC2)CC1 ZINC000897229914 591779677 /nfs/dbraw/zinc/77/96/77/591779677.db2.gz YNWXJVVDGSHWRT-QGZVFWFLSA-N 2 1 325.497 1.065 20 0 EDADMP NC(=O)C1(N2CCCCC2)CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000895553796 591799396 /nfs/dbraw/zinc/79/93/96/591799396.db2.gz LPUXCGACNMXQQP-UHFFFAOYSA-N 2 1 341.459 1.640 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000899958513 591844125 /nfs/dbraw/zinc/84/41/25/591844125.db2.gz UXWKPTAERQXQRG-INIZCTEOSA-N 2 1 336.480 1.415 20 0 EDADMP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000900007749 591865601 /nfs/dbraw/zinc/86/56/01/591865601.db2.gz SDOWARSJXAKBKQ-FQEVSTJZSA-N 2 1 347.503 1.991 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900016166 591868938 /nfs/dbraw/zinc/86/89/38/591868938.db2.gz MINKKESOVRNCML-HKUYNNGSSA-N 2 1 333.476 1.600 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000900157789 591920209 /nfs/dbraw/zinc/92/02/09/591920209.db2.gz ITRRBDFKRVFDOG-FQEVSTJZSA-N 2 1 345.487 1.745 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000900307946 591983006 /nfs/dbraw/zinc/98/30/06/591983006.db2.gz VHVWHRKWVRJONW-KRWDZBQOSA-N 2 1 336.524 1.393 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000900307946 591983008 /nfs/dbraw/zinc/98/30/08/591983008.db2.gz VHVWHRKWVRJONW-KRWDZBQOSA-N 2 1 336.524 1.393 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000900307946 591983011 /nfs/dbraw/zinc/98/30/11/591983011.db2.gz VHVWHRKWVRJONW-KRWDZBQOSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900338746 591989072 /nfs/dbraw/zinc/98/90/72/591989072.db2.gz GPCRQRFPPZOQOZ-OAHLLOKOSA-N 2 1 335.496 1.685 20 0 EDADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CNCCOC4)C[C@@H]3C2)cc1 ZINC000902516466 592009142 /nfs/dbraw/zinc/00/91/42/592009142.db2.gz DWNFABDUJZHEIN-YRPNKDGESA-N 2 1 329.488 1.865 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000900406222 592009696 /nfs/dbraw/zinc/00/96/96/592009696.db2.gz PBWXCDDHMPSTMQ-IEBWSBKVSA-N 2 1 333.476 1.561 20 0 EDADMP C[C@H](NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cn(C)nn1 ZINC000902783202 592062145 /nfs/dbraw/zinc/06/21/45/592062145.db2.gz AYALCCUCFBLGJS-HNNXBMFYSA-N 2 1 329.452 1.073 20 0 EDADMP CCO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000902796647 592064875 /nfs/dbraw/zinc/06/48/75/592064875.db2.gz PXUATRHRBHCRPS-IRXDYDNUSA-N 2 1 325.497 1.866 20 0 EDADMP CC[C@@H](CN1CCOCC1)NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000902939923 592088144 /nfs/dbraw/zinc/08/81/44/592088144.db2.gz KXPRSOAMCJRZRV-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H]1CCCc3nn(C)cc31)C2 ZINC000903117108 592123647 /nfs/dbraw/zinc/12/36/47/592123647.db2.gz UNQRDVBYOVCOLD-DBDQLMEASA-N 2 1 332.492 1.867 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3CN(C4CC4)C[C@@H]3C)C2)[C@@H]1C(C)C ZINC000903122006 592124239 /nfs/dbraw/zinc/12/42/39/592124239.db2.gz WFUVWARVVVCJJD-IYHZHHKNSA-N 2 1 335.536 1.929 20 0 EDADMP O=C1COc2ccccc2CN1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903181853 592132183 /nfs/dbraw/zinc/13/21/83/592132183.db2.gz WRAVRGGVMWVDED-DLBZAZTESA-N 2 1 329.444 1.624 20 0 EDADMP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000903188574 592135542 /nfs/dbraw/zinc/13/55/42/592135542.db2.gz GOJXXRAGQTVQLS-CABCVRRESA-N 2 1 343.537 1.843 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H](C)C(=O)Nc1cccc(C)c1)C2 ZINC000903492664 592185645 /nfs/dbraw/zinc/18/56/45/592185645.db2.gz PMBJLKZJLQHZRE-ZTENYAIWSA-N 2 1 345.443 1.534 20 0 EDADMP COC(=O)[C@@H](c1ccccc1C)[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493864 592186159 /nfs/dbraw/zinc/18/61/59/592186159.db2.gz YCTAZNZWZRDWDF-ZDXGLAPJSA-N 2 1 346.427 1.421 20 0 EDADMP C[C@H](C(=O)Nc1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510240 592190621 /nfs/dbraw/zinc/19/06/21/592190621.db2.gz FJVURUFNFFLJLR-LZQZEXGQSA-N 2 1 342.487 1.914 20 0 EDADMP CC(C)CC[NH+]1CCC(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900979271 592191506 /nfs/dbraw/zinc/19/15/06/592191506.db2.gz SKDOQGHQECPLAY-IBGZPJMESA-N 2 1 339.524 1.708 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000900998267 592201358 /nfs/dbraw/zinc/20/13/58/592201358.db2.gz YJUMGRKNIHEOMK-IAGOWNOFSA-N 2 1 336.524 1.534 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000900998267 592201359 /nfs/dbraw/zinc/20/13/59/592201359.db2.gz YJUMGRKNIHEOMK-IAGOWNOFSA-N 2 1 336.524 1.534 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000900998267 592201361 /nfs/dbraw/zinc/20/13/61/592201361.db2.gz YJUMGRKNIHEOMK-IAGOWNOFSA-N 2 1 336.524 1.534 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CCCO1 ZINC000904370576 592240440 /nfs/dbraw/zinc/24/04/40/592240440.db2.gz BGHMFUIIXDHJPA-QAPCUYQASA-N 2 1 341.496 1.992 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCCO1 ZINC000904370576 592240441 /nfs/dbraw/zinc/24/04/41/592240441.db2.gz BGHMFUIIXDHJPA-QAPCUYQASA-N 2 1 341.496 1.992 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2CN2CCNCC[NH2+]CC2)CC1 ZINC000904397118 592244971 /nfs/dbraw/zinc/24/49/71/592244971.db2.gz ZMDZEUPVZBTMQY-UHFFFAOYSA-N 2 1 345.535 1.213 20 0 EDADMP Cc1nc2cc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)ccc2n1C1CC1 ZINC000908057902 592278000 /nfs/dbraw/zinc/27/80/00/592278000.db2.gz AHRGMBZJRQBOAM-HNAYVOBHSA-N 2 1 342.443 1.751 20 0 EDADMP Cc1nc2cc(CNC(=O)[C@@]3(C)C[C@H](O)CN3C)ccc2n1C1CC1 ZINC000908057902 592278004 /nfs/dbraw/zinc/27/80/04/592278004.db2.gz AHRGMBZJRQBOAM-HNAYVOBHSA-N 2 1 342.443 1.751 20 0 EDADMP CCC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000903717921 592280470 /nfs/dbraw/zinc/28/04/70/592280470.db2.gz FWDUCZSFUGMUJL-GJZGRUSLSA-N 2 1 330.494 1.044 20 0 EDADMP CCC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000903717921 592280474 /nfs/dbraw/zinc/28/04/74/592280474.db2.gz FWDUCZSFUGMUJL-GJZGRUSLSA-N 2 1 330.494 1.044 20 0 EDADMP CC[N@@H+](CC(=O)Nc1ccccc1OC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718123 592280940 /nfs/dbraw/zinc/28/09/40/592280940.db2.gz HFGJTFDOGINADY-BEFAXECRSA-N 2 1 347.459 1.724 20 0 EDADMP CC[N@H+](CC(=O)Nc1ccccc1OC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718123 592280946 /nfs/dbraw/zinc/28/09/46/592280946.db2.gz HFGJTFDOGINADY-BEFAXECRSA-N 2 1 347.459 1.724 20 0 EDADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727772 592286149 /nfs/dbraw/zinc/28/61/49/592286149.db2.gz XEJAHVIEBAGXOI-SJORKVTESA-N 2 1 337.508 1.773 20 0 EDADMP C[N@H+](Cc1ccccc1N1CCOCC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732617 592287989 /nfs/dbraw/zinc/28/79/89/592287989.db2.gz FQJXXDWYHVSGPH-QUCCMNQESA-N 2 1 345.487 1.724 20 0 EDADMP Cc1ccccc1CN1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903732963 592289376 /nfs/dbraw/zinc/28/93/76/592289376.db2.gz IMTGYOYYFFMJQC-PMACEKPBSA-N 2 1 329.488 1.881 20 0 EDADMP CC(C)COC(=O)N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903751124 592295752 /nfs/dbraw/zinc/29/57/52/592295752.db2.gz ARDQBIRIXUIWKX-RDJZCZTQSA-N 2 1 325.453 1.165 20 0 EDADMP Cc1csc(N2CC[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@H]2C)n1 ZINC000903740845 592303326 /nfs/dbraw/zinc/30/33/26/592303326.db2.gz ZWGUNHHNKYGCGN-VYDXJSESSA-N 2 1 336.505 1.731 20 0 EDADMP Cc1nc(C)n(C[C@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903740621 592303455 /nfs/dbraw/zinc/30/34/55/592303455.db2.gz XZETVCKOCUUUQC-ZWKOTPCHSA-N 2 1 347.507 1.766 20 0 EDADMP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000901252765 592304877 /nfs/dbraw/zinc/30/48/77/592304877.db2.gz ZRUGTBBAWRQTKI-PKOBYXMFSA-N 2 1 347.459 1.037 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000901252765 592304883 /nfs/dbraw/zinc/30/48/83/592304883.db2.gz ZRUGTBBAWRQTKI-PKOBYXMFSA-N 2 1 347.459 1.037 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCC[C@H]([NH3+])C4)n3)cn2)CC1 ZINC000904660484 592307385 /nfs/dbraw/zinc/30/73/85/592307385.db2.gz VVFPLVMRZQSOBD-HIFRSBDPSA-N 2 1 342.447 1.868 20 0 EDADMP COC(=O)CC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCOCC1 ZINC000903755825 592314297 /nfs/dbraw/zinc/31/42/97/592314297.db2.gz MDDQCJRRYQQKHN-MRXNPFEDSA-N 2 1 340.464 1.189 20 0 EDADMP C[NH+](C)CCn1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)n1 ZINC000904931212 592349977 /nfs/dbraw/zinc/34/99/77/592349977.db2.gz HYMZJIRGUAUAOY-GXTWGEPZSA-N 2 1 332.408 1.030 20 0 EDADMP CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903889644 592351341 /nfs/dbraw/zinc/35/13/41/592351341.db2.gz UUGZWUGSMRFVOT-HZPDHXFCSA-N 2 1 335.496 1.084 20 0 EDADMP OCC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000903891969 592352497 /nfs/dbraw/zinc/35/24/97/592352497.db2.gz FAUKRWJESUQMMJ-QFBILLFUSA-N 2 1 341.459 1.684 20 0 EDADMP OCC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000903891969 592352499 /nfs/dbraw/zinc/35/24/99/592352499.db2.gz FAUKRWJESUQMMJ-QFBILLFUSA-N 2 1 341.459 1.684 20 0 EDADMP Cc1c(C[C@H](C[NH3+])CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)cnn1C ZINC000903880079 592361103 /nfs/dbraw/zinc/36/11/03/592361103.db2.gz NYCPRMPGNFAICL-IEBWSBKVSA-N 2 1 349.523 1.033 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000906841852 592365422 /nfs/dbraw/zinc/36/54/22/592365422.db2.gz NQMMRZIJLFWWIP-SQNIBIBYSA-N 2 1 337.508 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000906841852 592365430 /nfs/dbraw/zinc/36/54/30/592365430.db2.gz NQMMRZIJLFWWIP-SQNIBIBYSA-N 2 1 337.508 1.678 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccccc2NC[C@@H]([NH3+])CC(F)F)CC1 ZINC000903928397 592382339 /nfs/dbraw/zinc/38/23/39/592382339.db2.gz YMCSAAKHDYLPBY-HNNXBMFYSA-N 2 1 340.418 1.745 20 0 EDADMP Cc1cc([C@@H]2CCC[N@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)[nH]n1 ZINC000903917422 592389167 /nfs/dbraw/zinc/38/91/67/592389167.db2.gz LTHSHGGGTFAYMW-JKSUJKDBSA-N 2 1 330.480 1.757 20 0 EDADMP Cc1cc([C@@H]2CCC[N@@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n[nH]1 ZINC000903917422 592389170 /nfs/dbraw/zinc/38/91/70/592389170.db2.gz LTHSHGGGTFAYMW-JKSUJKDBSA-N 2 1 330.480 1.757 20 0 EDADMP Cc1cc([C@@H]2CCC[N@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n[nH]1 ZINC000903917422 592389176 /nfs/dbraw/zinc/38/91/76/592389176.db2.gz LTHSHGGGTFAYMW-JKSUJKDBSA-N 2 1 330.480 1.757 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC[C@H]2c2ccnn2C)cnn1C ZINC000903916591 592389296 /nfs/dbraw/zinc/38/92/96/592389296.db2.gz HYXSKVALRVNWCJ-YJBOKZPZSA-N 2 1 330.480 1.807 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCC[C@H]2c2ccnn2C)cnn1C ZINC000903916591 592389300 /nfs/dbraw/zinc/38/93/00/592389300.db2.gz HYXSKVALRVNWCJ-YJBOKZPZSA-N 2 1 330.480 1.807 20 0 EDADMP CC[C@](O)(C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C(F)(F)F ZINC000905089179 592392923 /nfs/dbraw/zinc/39/29/23/592392923.db2.gz MOAZGGSNQNUUAQ-JSGCOSHPSA-N 2 1 339.402 1.222 20 0 EDADMP CC[C@](O)(C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C(F)(F)F ZINC000905089179 592392930 /nfs/dbraw/zinc/39/29/30/592392930.db2.gz MOAZGGSNQNUUAQ-JSGCOSHPSA-N 2 1 339.402 1.222 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)C1 ZINC000903947730 592393732 /nfs/dbraw/zinc/39/37/32/592393732.db2.gz GHVFJXOYZIABKA-FUHWJXTLSA-N 2 1 337.508 1.712 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CN(C)CC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000908230463 592394422 /nfs/dbraw/zinc/39/44/22/592394422.db2.gz OSKURXASXDQVQP-LPHOPBHVSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CN(C)CC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000908230463 592394428 /nfs/dbraw/zinc/39/44/28/592394428.db2.gz OSKURXASXDQVQP-LPHOPBHVSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000908230463 592394430 /nfs/dbraw/zinc/39/44/30/592394430.db2.gz OSKURXASXDQVQP-LPHOPBHVSA-N 2 1 344.503 1.259 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cccc3cnccc31)C2 ZINC000903977684 592399328 /nfs/dbraw/zinc/39/93/28/592399328.db2.gz VZAGBORGDSLFEQ-FCEWJHQRSA-N 2 1 325.412 1.947 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cnn1C ZINC000903986710 592406452 /nfs/dbraw/zinc/40/64/52/592406452.db2.gz PXJQNZNIEQRRBQ-UWWQBHOKSA-N 2 1 349.479 1.056 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](O)CC2(O)CCCC2)CC1 ZINC000905110243 592410760 /nfs/dbraw/zinc/41/07/60/592410760.db2.gz LHLGAQBWOUDKNE-KRWDZBQOSA-N 2 1 327.513 1.050 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1 ZINC000907089771 592515969 /nfs/dbraw/zinc/51/59/69/592515969.db2.gz GNHFGVNUPSPFSB-WNRNVDISSA-N 2 1 337.508 1.819 20 0 EDADMP CC[C@@](O)(C[NH2+][C@@H]1CCc2c([nH+]c(C)n2CCO)C1)C(F)(F)F ZINC000905369818 592517492 /nfs/dbraw/zinc/51/74/92/592517492.db2.gz CJDUQFRWGQOWNS-BXUZGUMPSA-N 2 1 335.370 1.334 20 0 EDADMP CC[C@](O)(C[NH2+][C@H]1CCc2c([nH+]c(C)n2CCO)C1)C(F)(F)F ZINC000905369819 592517837 /nfs/dbraw/zinc/51/78/37/592517837.db2.gz CJDUQFRWGQOWNS-FZMZJTMJSA-N 2 1 335.370 1.334 20 0 EDADMP O=C1C[C@@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1CC1CC1 ZINC000905449852 592529379 /nfs/dbraw/zinc/52/93/79/592529379.db2.gz GWOUHXKYZVABRV-QUCCMNQESA-N 2 1 343.471 1.224 20 0 EDADMP O=C1C[C@@H]([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CN1CC1CC1 ZINC000905449852 592529381 /nfs/dbraw/zinc/52/93/81/592529381.db2.gz GWOUHXKYZVABRV-QUCCMNQESA-N 2 1 343.471 1.224 20 0 EDADMP CO[C@]1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCSC1 ZINC000905544476 592557833 /nfs/dbraw/zinc/55/78/33/592557833.db2.gz BHGFFPGCXHYPOZ-MSOLQXFVSA-N 2 1 336.501 1.735 20 0 EDADMP CO[C@]1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCSC1 ZINC000905544476 592557835 /nfs/dbraw/zinc/55/78/35/592557835.db2.gz BHGFFPGCXHYPOZ-MSOLQXFVSA-N 2 1 336.501 1.735 20 0 EDADMP C[C@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000907288334 592585691 /nfs/dbraw/zinc/58/56/91/592585691.db2.gz ZFZOIMKUSITNGT-TXPKVOOTSA-N 2 1 337.508 1.602 20 0 EDADMP C[C@H](NC(=O)C[C@]1(O)CCC[NH+](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907288334 592585692 /nfs/dbraw/zinc/58/56/92/592585692.db2.gz ZFZOIMKUSITNGT-TXPKVOOTSA-N 2 1 337.508 1.602 20 0 EDADMP C[C@H](NC(=O)C[C@]1(O)CCC[NH+](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000907288334 592585694 /nfs/dbraw/zinc/58/56/94/592585694.db2.gz ZFZOIMKUSITNGT-TXPKVOOTSA-N 2 1 337.508 1.602 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)C1CC1 ZINC000905656613 592598587 /nfs/dbraw/zinc/59/85/87/592598587.db2.gz ZEBSWKAXGRXUJC-HUUCEWRRSA-N 2 1 341.496 1.677 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)C1CC1 ZINC000905656613 592598591 /nfs/dbraw/zinc/59/85/91/592598591.db2.gz ZEBSWKAXGRXUJC-HUUCEWRRSA-N 2 1 341.496 1.677 20 0 EDADMP CCOC(=O)c1nnc2ccccc2c1NCC[NH+]1CCC([NH3+])CC1 ZINC000905703650 592616330 /nfs/dbraw/zinc/61/63/30/592616330.db2.gz DEZCKTIVHDAQKY-UHFFFAOYSA-N 2 1 343.431 1.642 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000906085954 592738869 /nfs/dbraw/zinc/73/88/69/592738869.db2.gz GXDIQUFBHQEYML-KBAYOESNSA-N 2 1 333.476 1.766 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000906085954 592738872 /nfs/dbraw/zinc/73/88/72/592738872.db2.gz GXDIQUFBHQEYML-KBAYOESNSA-N 2 1 333.476 1.766 20 0 EDADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218837 592760735 /nfs/dbraw/zinc/76/07/35/592760735.db2.gz OEFLGSUESWOKTK-HOTGVXAUSA-N 2 1 331.464 1.047 20 0 EDADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906529900 592838203 /nfs/dbraw/zinc/83/82/03/592838203.db2.gz FYWARLOMRBTJHT-UHFFFAOYSA-N 2 1 346.519 1.590 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000907951838 592854998 /nfs/dbraw/zinc/85/49/98/592854998.db2.gz APQLNPIPAXEPSG-QGZVFWFLSA-N 2 1 347.507 1.972 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1)[NH+](C)C ZINC000910860310 592897592 /nfs/dbraw/zinc/89/75/92/592897592.db2.gz AYOXBILOFKIFOT-QGZVFWFLSA-N 2 1 327.513 1.514 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2CCn3cncc3C2)CC1 ZINC000911573419 592951556 /nfs/dbraw/zinc/95/15/56/592951556.db2.gz JCJZRPGMCSJGFR-MRXNPFEDSA-N 2 1 333.480 1.120 20 0 EDADMP CC[C@@H]1CN(C(=S)NCC(C)(C)C[NH+](C)C)CC[N@H+]1CCOC ZINC000735245324 592979610 /nfs/dbraw/zinc/97/96/10/592979610.db2.gz DGMJFQPBVZRKEA-OAHLLOKOSA-N 2 1 344.569 1.491 20 0 EDADMP C[C@@H]([NH3+])c1nc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cs1 ZINC000911735327 592992817 /nfs/dbraw/zinc/99/28/17/592992817.db2.gz JKYXFQZCAHKUCV-SNVBAGLBSA-N 2 1 332.433 1.220 20 0 EDADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911738903 592994001 /nfs/dbraw/zinc/99/40/01/592994001.db2.gz NVJJBENMIBADRU-ZANVPECISA-N 2 1 342.237 1.265 20 0 EDADMP O=C([C@H]1[NH2+]CCOc2ccccc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000911840086 593021315 /nfs/dbraw/zinc/02/13/15/593021315.db2.gz FHJADZDKOPAWQE-SFHVURJKSA-N 2 1 329.444 1.700 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@H]1CCCC[N@H+]1C ZINC000912401013 593093256 /nfs/dbraw/zinc/09/32/56/593093256.db2.gz IAKLKKUMPMVUNL-QGZVFWFLSA-N 2 1 348.491 1.911 20 0 EDADMP CN(C)[C@H](C(=O)N(C)CC[N@@H+](C)CCO)c1ccc(Cl)cc1 ZINC000912600559 593106217 /nfs/dbraw/zinc/10/62/17/593106217.db2.gz XGOFFWSOAKKERM-HNNXBMFYSA-N 2 1 327.856 1.325 20 0 EDADMP CN(CC[N@@H+](C)CCO)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000912600559 593106219 /nfs/dbraw/zinc/10/62/19/593106219.db2.gz XGOFFWSOAKKERM-HNNXBMFYSA-N 2 1 327.856 1.325 20 0 EDADMP Cc1ccccc1[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000818998198 593733130 /nfs/dbraw/zinc/73/31/30/593733130.db2.gz QEPBFQZEYVDIMH-QZTJIDSGSA-N 2 1 333.476 1.561 20 0 EDADMP Cc1ccccc1[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000818998198 593733131 /nfs/dbraw/zinc/73/31/31/593733131.db2.gz QEPBFQZEYVDIMH-QZTJIDSGSA-N 2 1 333.476 1.561 20 0 EDADMP CCOC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000819238969 593746100 /nfs/dbraw/zinc/74/61/00/593746100.db2.gz NYCHQBOYNKEFIW-DLBZAZTESA-N 2 1 335.448 1.300 20 0 EDADMP CCOC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000819238969 593746101 /nfs/dbraw/zinc/74/61/01/593746101.db2.gz NYCHQBOYNKEFIW-DLBZAZTESA-N 2 1 335.448 1.300 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000821452800 593838713 /nfs/dbraw/zinc/83/87/13/593838713.db2.gz HRZVADVEVHKXHA-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000820807589 593894507 /nfs/dbraw/zinc/89/45/07/593894507.db2.gz LXLLTQXXCBXGBC-ZXFUBFMLSA-N 2 1 349.500 1.842 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000820807589 593894509 /nfs/dbraw/zinc/89/45/09/593894509.db2.gz LXLLTQXXCBXGBC-ZXFUBFMLSA-N 2 1 349.500 1.842 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc(C[C@H]4CC[NH2+]C4)n3)cn2)CC1 ZINC000822950758 594127433 /nfs/dbraw/zinc/12/74/33/594127433.db2.gz AOEXIPRFWXEMCZ-CQSZACIVSA-N 2 1 342.447 1.426 20 0 EDADMP C[C@H]([NH3+])CCc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000822951507 594127849 /nfs/dbraw/zinc/12/78/49/594127849.db2.gz SXIQTGOUJKBKLB-ZDUSSCGKSA-N 2 1 330.436 1.553 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C[C@H]([NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000826907505 594599702 /nfs/dbraw/zinc/59/97/02/594599702.db2.gz QEYDQDLHZLKELN-OALUTQOASA-N 2 1 344.503 1.609 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C[C@H]([NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000826907505 594599704 /nfs/dbraw/zinc/59/97/04/594599704.db2.gz QEYDQDLHZLKELN-OALUTQOASA-N 2 1 344.503 1.609 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C[C@H]([NH3+])C3CC3)CC2)oc1C ZINC000829393818 594606306 /nfs/dbraw/zinc/60/63/06/594606306.db2.gz NZMKKLWXVSXNQE-INIZCTEOSA-N 2 1 334.464 1.747 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000841326289 594885310 /nfs/dbraw/zinc/88/53/10/594885310.db2.gz UVAAPAXUTSHJCT-KBPBESRZSA-N 2 1 348.422 1.456 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(-n4ccnc4)nc3)C[C@@H]21 ZINC000836211554 594939163 /nfs/dbraw/zinc/93/91/63/594939163.db2.gz SDHZJDYKHGIYAM-CABCVRRESA-N 2 1 326.404 1.113 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000841720869 594943162 /nfs/dbraw/zinc/94/31/62/594943162.db2.gz ACJYNPGJQRMAIG-HUUCEWRRSA-N 2 1 328.420 1.645 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000841727532 594944142 /nfs/dbraw/zinc/94/41/42/594944142.db2.gz UKFUMWPZCAFVAW-MRXNPFEDSA-N 2 1 342.447 1.892 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841752052 594947896 /nfs/dbraw/zinc/94/78/96/594947896.db2.gz FJLKRLXGDGLNGH-UHFFFAOYSA-N 2 1 332.439 1.924 20 0 EDADMP CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cc(=O)oc2c1 ZINC000843364408 595088263 /nfs/dbraw/zinc/08/82/63/595088263.db2.gz IAOYPFNOCBLAKI-WCQYABFASA-N 2 1 329.400 1.921 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000843073426 595281340 /nfs/dbraw/zinc/28/13/40/595281340.db2.gz PMPKJTVNIVJZQI-YOEHRIQHSA-N 2 1 328.403 1.825 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)CO[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844192455 595298663 /nfs/dbraw/zinc/29/86/63/595298663.db2.gz SHYXRVSDRZWBGF-SFHVURJKSA-N 2 1 346.475 1.141 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NCCCCCC[NH3+])c2ccccc2)CC1 ZINC000844201019 595301328 /nfs/dbraw/zinc/30/13/28/595301328.db2.gz KHLAVAQYIDBPAZ-SFHVURJKSA-N 2 1 332.492 1.610 20 0 EDADMP [NH3+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844219589 595305201 /nfs/dbraw/zinc/30/52/01/595305201.db2.gz LRSOQJUOBZHXGA-OAHLLOKOSA-N 2 1 332.448 1.132 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc(C[C@@H]4CCC[C@H]4[NH3+])n3)cn2)CC1 ZINC000844915723 595413690 /nfs/dbraw/zinc/41/36/90/595413690.db2.gz QOWYXBWCXAOERC-DZGCQCFKSA-N 2 1 342.447 1.553 20 0 EDADMP FC(F)(F)COc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nn1 ZINC000848599950 595415442 /nfs/dbraw/zinc/41/54/42/595415442.db2.gz UTDSNGFPKJNVPP-UHFFFAOYSA-N 2 1 330.354 1.993 20 0 EDADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000847447166 595421309 /nfs/dbraw/zinc/42/13/09/595421309.db2.gz YMSSFLKQNBKHTN-UHFFFAOYSA-N 2 1 347.381 1.976 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000849018783 595475046 /nfs/dbraw/zinc/47/50/46/595475046.db2.gz ADUCXAFVXCFWSW-CQSZACIVSA-N 2 1 339.484 1.452 20 0 EDADMP Cc1cc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc(C)c1O ZINC000849088887 595479959 /nfs/dbraw/zinc/47/99/59/595479959.db2.gz WGVPGIKMWVYLPU-UHFFFAOYSA-N 2 1 334.464 1.388 20 0 EDADMP C[C@H]1CN(C(=[NH2+])NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CCO1 ZINC000849093628 595480365 /nfs/dbraw/zinc/48/03/65/595480365.db2.gz CITKSNLRCOLCQJ-HOTGVXAUSA-N 2 1 346.475 1.652 20 0 EDADMP C[C@H]1CN(C(=[NH2+])NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CCO1 ZINC000849093628 595480366 /nfs/dbraw/zinc/48/03/66/595480366.db2.gz CITKSNLRCOLCQJ-HOTGVXAUSA-N 2 1 346.475 1.652 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1n[nH]cc1Br ZINC000849099136 595481755 /nfs/dbraw/zinc/48/17/55/595481755.db2.gz NFPXRLCAVNWYMO-VIFPVBQESA-N 2 1 329.246 1.270 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC2=[NH+]CCCN2C)CC1 ZINC000849110939 595483636 /nfs/dbraw/zinc/48/36/36/595483636.db2.gz PKSGXYRJWKBDAZ-UHFFFAOYSA-N 2 1 329.492 1.605 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[NH+]1CCCCC1 ZINC000849504910 595553341 /nfs/dbraw/zinc/55/33/41/595553341.db2.gz GNNHANIEWKXOAT-BPQIPLTHSA-N 2 1 347.507 1.446 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000852862225 595583244 /nfs/dbraw/zinc/58/32/44/595583244.db2.gz WWIZTLHNSBZCQV-UHFFFAOYSA-N 2 1 325.416 1.854 20 0 EDADMP C[NH+]1CCN([C@@H](C[NH2+]C[C@@H](O)c2ccccn2)c2cccs2)CC1 ZINC000853060305 595652000 /nfs/dbraw/zinc/65/20/00/595652000.db2.gz URDXUVVWHQITRZ-DLBZAZTESA-N 2 1 346.500 1.755 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000855346764 595681744 /nfs/dbraw/zinc/68/17/44/595681744.db2.gz LNNVWFMJIDJFIP-YJBOKZPZSA-N 2 1 344.519 1.587 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000855346764 595681746 /nfs/dbraw/zinc/68/17/46/595681746.db2.gz LNNVWFMJIDJFIP-YJBOKZPZSA-N 3 1 344.519 1.587 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000855346764 595681748 /nfs/dbraw/zinc/68/17/48/595681748.db2.gz LNNVWFMJIDJFIP-YJBOKZPZSA-N 3 1 344.519 1.587 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000855346764 595681750 /nfs/dbraw/zinc/68/17/50/595681750.db2.gz LNNVWFMJIDJFIP-YJBOKZPZSA-N 3 1 344.519 1.587 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000855346764 595681751 /nfs/dbraw/zinc/68/17/51/595681751.db2.gz LNNVWFMJIDJFIP-YJBOKZPZSA-N 3 1 344.519 1.587 20 0 EDADMP CC[C@@H]([NH2+]C)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000854146745 595989760 /nfs/dbraw/zinc/98/97/60/595989760.db2.gz ZOIXGPMSERFSNZ-CQSZACIVSA-N 2 1 330.436 1.944 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)NCc2cccnc2)cc1 ZINC000859214799 596006312 /nfs/dbraw/zinc/00/63/12/596006312.db2.gz ODVHEZSZZGIWTO-UHFFFAOYSA-N 2 1 326.444 1.891 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)NCc2cccnc2)cc1 ZINC000859214799 596006315 /nfs/dbraw/zinc/00/63/15/596006315.db2.gz ODVHEZSZZGIWTO-UHFFFAOYSA-N 2 1 326.444 1.891 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C[C@@H]1C ZINC000854244569 596013779 /nfs/dbraw/zinc/01/37/79/596013779.db2.gz LFQIANSHFBBUCJ-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C[C@@H]1C ZINC000854244569 596013783 /nfs/dbraw/zinc/01/37/83/596013783.db2.gz LFQIANSHFBBUCJ-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C[C@@H]1C ZINC000854244569 596013785 /nfs/dbraw/zinc/01/37/85/596013785.db2.gz LFQIANSHFBBUCJ-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856594019 596026862 /nfs/dbraw/zinc/02/68/62/596026862.db2.gz SVXNYHDZOGTRCZ-YJBOKZPZSA-N 2 1 348.491 1.901 20 0 EDADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856594019 596026866 /nfs/dbraw/zinc/02/68/66/596026866.db2.gz SVXNYHDZOGTRCZ-YJBOKZPZSA-N 2 1 348.491 1.901 20 0 EDADMP CCCNC(=O)[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856594019 596026871 /nfs/dbraw/zinc/02/68/71/596026871.db2.gz SVXNYHDZOGTRCZ-YJBOKZPZSA-N 2 1 348.491 1.901 20 0 EDADMP CCCNC(=O)[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856594019 596026875 /nfs/dbraw/zinc/02/68/75/596026875.db2.gz SVXNYHDZOGTRCZ-YJBOKZPZSA-N 2 1 348.491 1.901 20 0 EDADMP C[Si](C)(CC[NH+]1CC[C@@]2(O)C[C@H]2C1)CC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000859351703 596060361 /nfs/dbraw/zinc/06/03/61/596060361.db2.gz IPLSHDCNRMTVFV-WNRNVDISSA-N 2 1 338.568 1.608 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccnc(F)c1F ZINC000856902567 596107502 /nfs/dbraw/zinc/10/75/02/596107502.db2.gz RUKMDKWQVFUDSX-NSHDSACASA-N 2 1 329.395 1.753 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccnc(F)c1F ZINC000856902567 596107505 /nfs/dbraw/zinc/10/75/05/596107505.db2.gz RUKMDKWQVFUDSX-NSHDSACASA-N 2 1 329.395 1.753 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000854641913 596146172 /nfs/dbraw/zinc/14/61/72/596146172.db2.gz HLTFSSAQBIXAJX-IIDMSEBBSA-N 2 1 341.471 1.521 20 0 EDADMP C[NH+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000854641913 596146173 /nfs/dbraw/zinc/14/61/73/596146173.db2.gz HLTFSSAQBIXAJX-IIDMSEBBSA-N 2 1 341.471 1.521 20 0 EDADMP C[NH+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000854641913 596146176 /nfs/dbraw/zinc/14/61/76/596146176.db2.gz HLTFSSAQBIXAJX-IIDMSEBBSA-N 2 1 341.471 1.521 20 0 EDADMP O=C1NC2(CC[NH+](Cc3ccccc3)CC2)C(=O)N1C[NH+]1CCCC1 ZINC000857229355 596192150 /nfs/dbraw/zinc/19/21/50/596192150.db2.gz QLNYCANEEIWJCZ-UHFFFAOYSA-N 2 1 342.443 1.626 20 0 EDADMP O=C1NCCN1Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000866577089 596255859 /nfs/dbraw/zinc/25/58/59/596255859.db2.gz MVDJOCNEAUROST-UHFFFAOYSA-N 2 1 328.460 1.928 20 0 EDADMP COc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)co1 ZINC000866666167 596285393 /nfs/dbraw/zinc/28/53/93/596285393.db2.gz LZOHJXXFBIEANC-MRXNPFEDSA-N 2 1 342.443 1.830 20 0 EDADMP COc1ccccc1-c1nc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)co1 ZINC000866666167 596285395 /nfs/dbraw/zinc/28/53/95/596285395.db2.gz LZOHJXXFBIEANC-MRXNPFEDSA-N 2 1 342.443 1.830 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000866703625 596301231 /nfs/dbraw/zinc/30/12/31/596301231.db2.gz MVSGMLUNAZUAFQ-IBGZPJMESA-N 2 1 329.444 1.980 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000866711515 596304828 /nfs/dbraw/zinc/30/48/28/596304828.db2.gz LWXSMUJCRXTWED-YESZJQIVSA-N 2 1 337.464 1.450 20 0 EDADMP CN(C)c1ccc(F)cc1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000865450395 596579544 /nfs/dbraw/zinc/57/95/44/596579544.db2.gz MHPVKSVNOSXRAI-CQSZACIVSA-N 2 1 336.455 1.569 20 0 EDADMP CN(C)c1ccc(F)cc1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000865450395 596579547 /nfs/dbraw/zinc/57/95/47/596579547.db2.gz MHPVKSVNOSXRAI-CQSZACIVSA-N 2 1 336.455 1.569 20 0 EDADMP C[C@H](CNC(=O)/C=C/CN1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000865696445 596652508 /nfs/dbraw/zinc/65/25/08/596652508.db2.gz DIYJLDYYGTTYPD-RCMYXZNBSA-N 2 1 331.460 1.512 20 0 EDADMP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CS(N)(=O)=O ZINC000865815389 596694480 /nfs/dbraw/zinc/69/44/80/596694480.db2.gz XANPZDSANXUXGL-UHFFFAOYSA-N 2 1 339.505 1.555 20 0 EDADMP C[N@@H+]1CC[C@H]2CN(C(=O)NCC[NH+]3CCc4sccc4C3)CC[C@H]21 ZINC000868130041 596696505 /nfs/dbraw/zinc/69/65/05/596696505.db2.gz GWJZGQPMARAOQP-GOEBONIOSA-N 2 1 348.516 1.842 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)NCC[NH+]3CCc4sccc4C3)CC[C@H]21 ZINC000868130041 596696506 /nfs/dbraw/zinc/69/65/06/596696506.db2.gz GWJZGQPMARAOQP-GOEBONIOSA-N 2 1 348.516 1.842 20 0 EDADMP C[NH+]1CC[C@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)CC[C@H]21 ZINC000868130041 596696509 /nfs/dbraw/zinc/69/65/09/596696509.db2.gz GWJZGQPMARAOQP-GOEBONIOSA-N 2 1 348.516 1.842 20 0 EDADMP C[NH+]1CC[C@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)CC[C@H]21 ZINC000868130041 596696511 /nfs/dbraw/zinc/69/65/11/596696511.db2.gz GWJZGQPMARAOQP-GOEBONIOSA-N 2 1 348.516 1.842 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000868186571 596715468 /nfs/dbraw/zinc/71/54/68/596715468.db2.gz ORSNITCYDVQXHW-FGTMMUONSA-N 2 1 344.459 1.830 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)NCc3nccn3CC(F)(F)F)CC[C@@H]21 ZINC000868219959 596731810 /nfs/dbraw/zinc/73/18/10/596731810.db2.gz ODAGHHQMZDIFJO-RYUDHWBXSA-N 2 1 345.369 1.681 20 0 EDADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242814 596742667 /nfs/dbraw/zinc/74/26/67/596742667.db2.gz BLWGWWLONMFAGX-YESZJQIVSA-N 2 1 344.459 1.382 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242814 596742669 /nfs/dbraw/zinc/74/26/69/596742669.db2.gz BLWGWWLONMFAGX-YESZJQIVSA-N 2 1 344.459 1.382 20 0 EDADMP C[NH+]1CCC(CNC(=O)CC[NH+]2CCOCC2)(c2ccccc2)CC1 ZINC000870190427 596791516 /nfs/dbraw/zinc/79/15/16/596791516.db2.gz ADZHPCYMNGSHSP-UHFFFAOYSA-N 2 1 345.487 1.489 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868362509 596802017 /nfs/dbraw/zinc/80/20/17/596802017.db2.gz ZYXAVGJDHGTXHF-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2scnc2Cl)C1)N1CC[NH2+]CC1 ZINC000872142264 596809032 /nfs/dbraw/zinc/80/90/32/596809032.db2.gz QLGJVOULZBQSRK-LLVKDONJSA-N 2 1 328.869 1.440 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2scnc2Cl)C1)N1CC[NH2+]CC1 ZINC000872142264 596809036 /nfs/dbraw/zinc/80/90/36/596809036.db2.gz QLGJVOULZBQSRK-LLVKDONJSA-N 2 1 328.869 1.440 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000872146326 596810109 /nfs/dbraw/zinc/81/01/09/596810109.db2.gz LKRIRKLQACGGAJ-FHLIZLRMSA-N 2 1 338.411 1.602 20 0 EDADMP O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000872146154 596810223 /nfs/dbraw/zinc/81/02/23/596810223.db2.gz GYEAUQDXRVPZLY-BSDSXHPESA-N 2 1 337.508 1.508 20 0 EDADMP COC(=O)c1ccccc1OCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872151469 596813478 /nfs/dbraw/zinc/81/34/78/596813478.db2.gz KWKRITLWUUTUMP-AAEUAGOBSA-N 2 1 346.349 1.921 20 0 EDADMP COC(=O)c1ccccc1OCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872151469 596813480 /nfs/dbraw/zinc/81/34/80/596813480.db2.gz KWKRITLWUUTUMP-AAEUAGOBSA-N 2 1 346.349 1.921 20 0 EDADMP C[C@](O)(C[C@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000872201974 596833752 /nfs/dbraw/zinc/83/37/52/596833752.db2.gz OUJXHNZDVCBBEC-BZSNNMDCSA-N 2 1 326.481 1.131 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000872255422 596856727 /nfs/dbraw/zinc/85/67/27/596856727.db2.gz WOLMTFBYTOBUOE-RYQLBKOJSA-N 2 1 338.411 1.602 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000874170430 596950740 /nfs/dbraw/zinc/95/07/40/596950740.db2.gz MBGSACKLAFMNCB-RDJZCZTQSA-N 2 1 344.459 1.239 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC000876202758 597133123 /nfs/dbraw/zinc/13/31/23/597133123.db2.gz VLEKVFCOQBPZEO-KRWDZBQOSA-N 2 1 340.512 1.397 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000876202758 597133126 /nfs/dbraw/zinc/13/31/26/597133126.db2.gz VLEKVFCOQBPZEO-KRWDZBQOSA-N 2 1 340.512 1.397 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000876202758 597133129 /nfs/dbraw/zinc/13/31/29/597133129.db2.gz VLEKVFCOQBPZEO-KRWDZBQOSA-N 2 1 340.512 1.397 20 0 EDADMP CC[C@H]1COCCN1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000874702791 597146500 /nfs/dbraw/zinc/14/65/00/597146500.db2.gz KDQXUBYOJVSAJQ-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CC[C@H]1COCCN1CCNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000874702791 597146502 /nfs/dbraw/zinc/14/65/02/597146502.db2.gz KDQXUBYOJVSAJQ-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000874841212 597194546 /nfs/dbraw/zinc/19/45/46/597194546.db2.gz AEYHZMABLVKZEM-WKULXVSPSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000874841212 597194550 /nfs/dbraw/zinc/19/45/50/597194550.db2.gz AEYHZMABLVKZEM-WKULXVSPSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000874841212 597194553 /nfs/dbraw/zinc/19/45/53/597194553.db2.gz AEYHZMABLVKZEM-WKULXVSPSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000874841212 597194557 /nfs/dbraw/zinc/19/45/57/597194557.db2.gz AEYHZMABLVKZEM-WKULXVSPSA-N 2 1 337.508 1.815 20 0 EDADMP O=S1(=O)C[C@@H]2CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]2C1 ZINC000873227566 597233691 /nfs/dbraw/zinc/23/36/91/597233691.db2.gz LNIJJCKXEDMNPE-WCQYABFASA-N 2 1 326.487 1.260 20 0 EDADMP O=S1(=O)C[C@@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]2C1 ZINC000873227566 597233694 /nfs/dbraw/zinc/23/36/94/597233694.db2.gz LNIJJCKXEDMNPE-WCQYABFASA-N 2 1 326.487 1.260 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCn1cc[nH+]c1C(C)C ZINC000876731856 597311494 /nfs/dbraw/zinc/31/14/94/597311494.db2.gz VVETWYHFBJPNSM-HNNXBMFYSA-N 2 1 344.463 1.866 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000876764996 597329310 /nfs/dbraw/zinc/32/93/10/597329310.db2.gz QCRZXCJADMKXPV-FXUDXRNXSA-N 2 1 329.460 1.187 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876839524 597354818 /nfs/dbraw/zinc/35/48/18/597354818.db2.gz VUAYYUBJAZFXLW-SUMDDJOVSA-N 2 1 329.444 1.700 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](F)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000876873355 597364513 /nfs/dbraw/zinc/36/45/13/597364513.db2.gz DKXKBRBWICIBJG-FUHWJXTLSA-N 2 1 349.450 1.677 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H](F)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000876873355 597364516 /nfs/dbraw/zinc/36/45/16/597364516.db2.gz DKXKBRBWICIBJG-FUHWJXTLSA-N 2 1 349.450 1.677 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000876883394 597368597 /nfs/dbraw/zinc/36/85/97/597368597.db2.gz GKFXNILFKRTFAH-PMPSAXMXSA-N 2 1 331.464 1.425 20 0 EDADMP C[N@@H+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000876947943 597393251 /nfs/dbraw/zinc/39/32/51/597393251.db2.gz HCIYJQZRPLJCIS-MYQPPDNISA-N 2 1 327.472 1.928 20 0 EDADMP C[N@H+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000876947943 597393256 /nfs/dbraw/zinc/39/32/56/597393256.db2.gz HCIYJQZRPLJCIS-MYQPPDNISA-N 2 1 327.472 1.928 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000877229637 597469842 /nfs/dbraw/zinc/46/98/42/597469842.db2.gz OSOYHQDVZZROJY-ZWKOTPCHSA-N 2 1 331.460 1.439 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000877229637 597469844 /nfs/dbraw/zinc/46/98/44/597469844.db2.gz OSOYHQDVZZROJY-ZWKOTPCHSA-N 2 1 331.460 1.439 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000877229692 597470071 /nfs/dbraw/zinc/47/00/71/597470071.db2.gz PUEFRWDWBSXFNW-ICSRJNTNSA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000877229692 597470074 /nfs/dbraw/zinc/47/00/74/597470074.db2.gz PUEFRWDWBSXFNW-ICSRJNTNSA-N 2 1 345.487 1.702 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877250294 597479705 /nfs/dbraw/zinc/47/97/05/597479705.db2.gz OOQQFSBWHJTDBW-OAGGEKHMSA-N 2 1 331.464 1.282 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877389197 597507482 /nfs/dbraw/zinc/50/74/82/597507482.db2.gz ASROFJMBUVXLNC-AZUAARDMSA-N 2 1 342.487 1.205 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000878338604 597596638 /nfs/dbraw/zinc/59/66/38/597596638.db2.gz ZELGMKCXWUIVIM-HNNXBMFYSA-N 2 1 332.435 1.971 20 0 EDADMP CCCn1ccnc1CCC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878513180 597618921 /nfs/dbraw/zinc/61/89/21/597618921.db2.gz XEMGZXHOQWHBLE-UHFFFAOYSA-N 2 1 335.496 1.368 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878513180 597618923 /nfs/dbraw/zinc/61/89/23/597618923.db2.gz XEMGZXHOQWHBLE-UHFFFAOYSA-N 3 1 335.496 1.368 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878513180 597618925 /nfs/dbraw/zinc/61/89/25/597618925.db2.gz XEMGZXHOQWHBLE-UHFFFAOYSA-N 3 1 335.496 1.368 20 0 EDADMP C[NH+]1CCC(NC(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)CC1 ZINC000883058375 597635959 /nfs/dbraw/zinc/63/59/59/597635959.db2.gz NSWVOVVWEWWUPA-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP COC[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000878624798 597659740 /nfs/dbraw/zinc/65/97/40/597659740.db2.gz WOZSEPOVVRBSHX-INIZCTEOSA-N 2 1 339.867 1.828 20 0 EDADMP C[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000883332633 597716599 /nfs/dbraw/zinc/71/65/99/597716599.db2.gz ZPFWGPWMVOWPET-HUUCEWRRSA-N 2 1 331.464 1.784 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000878829332 597726912 /nfs/dbraw/zinc/72/69/12/597726912.db2.gz HSROQEIELBWKNW-ZDUSSCGKSA-N 2 1 344.419 1.234 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000878866717 597738669 /nfs/dbraw/zinc/73/86/69/597738669.db2.gz VOZDSMABBNHDCU-QAPCUYQASA-N 2 1 341.496 1.632 20 0 EDADMP CCOC(=O)c1sc([C@H]2CC[N@H+](C[C@@](C)(O)C[NH2+]C)C2)nc1C ZINC000883448892 597751388 /nfs/dbraw/zinc/75/13/88/597751388.db2.gz UEUBGBVWGOUFOF-LRDDRELGSA-N 2 1 341.477 1.388 20 0 EDADMP CCOC(=O)c1sc([C@H]2CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C2)nc1C ZINC000883448892 597751392 /nfs/dbraw/zinc/75/13/92/597751392.db2.gz UEUBGBVWGOUFOF-LRDDRELGSA-N 2 1 341.477 1.388 20 0 EDADMP COc1ccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C)CC2)c(OC)c1 ZINC000879037048 597794965 /nfs/dbraw/zinc/79/49/65/597794965.db2.gz DSUWGJGTFNUQQU-ZDUSSCGKSA-N 2 1 335.448 1.565 20 0 EDADMP COCC[N@H+](CC(=O)N(C)Cc1ccco1)CC1CC[NH+](C)CC1 ZINC000879121494 597825610 /nfs/dbraw/zinc/82/56/10/597825610.db2.gz CUDWGUFTBHIOOE-UHFFFAOYSA-N 2 1 337.464 1.528 20 0 EDADMP COCC[N@@H+](CCCNC(=O)C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000879126469 597827430 /nfs/dbraw/zinc/82/74/30/597827430.db2.gz YBOKFXGNOVQTHH-UHFFFAOYSA-N 2 1 339.402 1.345 20 0 EDADMP CC(C)(O)[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](C(C)(C)O)C2)C1 ZINC000880147600 597856928 /nfs/dbraw/zinc/85/69/28/597856928.db2.gz XWROPRYBMFWPTJ-HOTGVXAUSA-N 2 1 328.497 1.189 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@H](OC)C1 ZINC000883922910 597943386 /nfs/dbraw/zinc/94/33/86/597943386.db2.gz YLCBQJMJWACXSA-BRWVUGGUSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880578329 597969173 /nfs/dbraw/zinc/96/91/73/597969173.db2.gz RXIKUJWNOALCGT-QZTJIDSGSA-N 2 1 328.497 1.454 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880578329 597969174 /nfs/dbraw/zinc/96/91/74/597969174.db2.gz RXIKUJWNOALCGT-QZTJIDSGSA-N 2 1 328.497 1.454 20 0 EDADMP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880578329 597969175 /nfs/dbraw/zinc/96/91/75/597969175.db2.gz RXIKUJWNOALCGT-QZTJIDSGSA-N 2 1 328.497 1.454 20 0 EDADMP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880578329 597969176 /nfs/dbraw/zinc/96/91/76/597969176.db2.gz RXIKUJWNOALCGT-QZTJIDSGSA-N 2 1 328.497 1.454 20 0 EDADMP C[C@H](C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2)[NH+](C)C ZINC000882592216 598000260 /nfs/dbraw/zinc/00/02/60/598000260.db2.gz ACXXDKLFILHMCC-SQGPQFPESA-N 2 1 345.487 1.829 20 0 EDADMP C[C@H](C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2)[NH+](C)C ZINC000882592216 598000262 /nfs/dbraw/zinc/00/02/62/598000262.db2.gz ACXXDKLFILHMCC-SQGPQFPESA-N 2 1 345.487 1.829 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ncoc2C[NH3+])CC1 ZINC000884185879 598018170 /nfs/dbraw/zinc/01/81/70/598018170.db2.gz KJHLKGALYWHITL-UHFFFAOYSA-N 2 1 328.416 1.790 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ncoc2C[NH3+])CC1 ZINC000884185879 598018173 /nfs/dbraw/zinc/01/81/73/598018173.db2.gz KJHLKGALYWHITL-UHFFFAOYSA-N 2 1 328.416 1.790 20 0 EDADMP C[NH2+]CCOc1ccccc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000884227422 598036589 /nfs/dbraw/zinc/03/65/89/598036589.db2.gz PKAZGEXXRNRYQL-MRXNPFEDSA-N 2 1 347.459 1.079 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C(F)F)[nH]n2)C[C@H]1C[NH+](C)C ZINC000881019861 598054283 /nfs/dbraw/zinc/05/42/83/598054283.db2.gz GBNAZFCKCFXFLC-GHMZBOCLSA-N 2 1 329.395 1.159 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884366783 598082744 /nfs/dbraw/zinc/08/27/44/598082744.db2.gz IQTZYLBSJDWDNM-HOTGVXAUSA-N 2 1 340.537 1.142 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884366783 598082747 /nfs/dbraw/zinc/08/27/47/598082747.db2.gz IQTZYLBSJDWDNM-HOTGVXAUSA-N 2 1 340.537 1.142 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738393454 598713655 /nfs/dbraw/zinc/71/36/55/598713655.db2.gz LXENDZREPNVKNO-MRXNPFEDSA-N 2 1 330.436 1.193 20 0 EDADMP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738421241 599485909 /nfs/dbraw/zinc/48/59/09/599485909.db2.gz QENUYTUOIYGCTC-ZIAGYGMSSA-N 2 1 338.419 1.231 20 0 EDADMP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000738421241 599485910 /nfs/dbraw/zinc/48/59/10/599485910.db2.gz QENUYTUOIYGCTC-ZIAGYGMSSA-N 2 1 338.419 1.231 20 0 EDADMP CO[C@@H](CN1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1)C1CCC1 ZINC001031050699 695385501 /nfs/dbraw/zinc/38/55/01/695385501.db2.gz UVECNYRWYKQYSH-MSOLQXFVSA-N 2 1 337.508 1.865 20 0 EDADMP CC1(C)CC(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001031856950 700006944 /nfs/dbraw/zinc/00/69/44/700006944.db2.gz MLBJHWYFOPXWKO-RYZJOYRSSA-N 2 1 347.503 1.334 20 0 EDADMP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)NCc1cnc2n1CCCC2 ZINC000915365405 695803282 /nfs/dbraw/zinc/80/32/82/695803282.db2.gz DHCDJJBJRHFEEC-INIZCTEOSA-N 2 1 338.477 1.125 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000915731174 695979747 /nfs/dbraw/zinc/97/97/47/695979747.db2.gz LAQDONYEHVCGFN-INIZCTEOSA-N 2 1 349.479 1.476 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000993750679 696348443 /nfs/dbraw/zinc/34/84/43/696348443.db2.gz DLJSVQFWMDJSPI-YOEHRIQHSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1cnn(C)c1 ZINC000993750679 696348444 /nfs/dbraw/zinc/34/84/44/696348444.db2.gz DLJSVQFWMDJSPI-YOEHRIQHSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)cn1 ZINC000993761842 696361031 /nfs/dbraw/zinc/36/10/31/696361031.db2.gz OURCRVURHMJNFM-YJBOKZPZSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)cn1 ZINC000993761842 696361033 /nfs/dbraw/zinc/36/10/33/696361033.db2.gz OURCRVURHMJNFM-YJBOKZPZSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1oncc1C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994247312 696632433 /nfs/dbraw/zinc/63/24/33/696632433.db2.gz CQULAJSMVYIMLI-CJNGLKHVSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1oncc1C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994247312 696632436 /nfs/dbraw/zinc/63/24/36/696632436.db2.gz CQULAJSMVYIMLI-CJNGLKHVSA-N 2 1 332.448 1.548 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001015710278 696644000 /nfs/dbraw/zinc/64/40/00/696644000.db2.gz IWVHYNUBQTXPLW-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP CO[C@H](C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001015710278 696644001 /nfs/dbraw/zinc/64/40/01/696644001.db2.gz IWVHYNUBQTXPLW-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP CO[C@H](C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001015710278 696644002 /nfs/dbraw/zinc/64/40/02/696644002.db2.gz IWVHYNUBQTXPLW-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000940008015 700109521 /nfs/dbraw/zinc/10/95/21/700109521.db2.gz DUZDUSLABUKIDE-CYBMUJFWSA-N 2 1 335.452 1.197 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC000940028184 700126523 /nfs/dbraw/zinc/12/65/23/700126523.db2.gz MGCAZTNWVPKSEW-INIZCTEOSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC000940028184 700126524 /nfs/dbraw/zinc/12/65/24/700126524.db2.gz MGCAZTNWVPKSEW-INIZCTEOSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](CC[C@H]3CCOC3)C2)c1 ZINC001031433633 697095454 /nfs/dbraw/zinc/09/54/54/697095454.db2.gz OQYNKVPUTILWDK-HNNXBMFYSA-N 2 1 331.460 1.589 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000352215298 697120037 /nfs/dbraw/zinc/12/00/37/697120037.db2.gz BYZAMZUTXINJNW-SFHVURJKSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000352215298 697120038 /nfs/dbraw/zinc/12/00/38/697120038.db2.gz BYZAMZUTXINJNW-SFHVURJKSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@@H+]1CCO[C@H](CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000919128359 697247113 /nfs/dbraw/zinc/24/71/13/697247113.db2.gz XQCFWWQHLJGMIB-UPTPFMHGSA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@H+]1CCO[C@H](CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000919128359 697247114 /nfs/dbraw/zinc/24/71/14/697247114.db2.gz XQCFWWQHLJGMIB-UPTPFMHGSA-N 2 1 338.496 1.413 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001031666388 697444022 /nfs/dbraw/zinc/44/40/22/697444022.db2.gz OLWSAIRMHCONPI-IBGZPJMESA-N 2 1 345.487 1.986 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnc(C)cn2)C1 ZINC000995034100 700158184 /nfs/dbraw/zinc/15/81/84/700158184.db2.gz CSOJVHSTFAKSJA-HOTGVXAUSA-N 2 1 342.447 1.365 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccc(F)cc2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688959 697523600 /nfs/dbraw/zinc/52/36/00/697523600.db2.gz OOXQDQQHYULANA-QZTJIDSGSA-N 2 1 347.434 1.237 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccc(F)cc2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688959 697523601 /nfs/dbraw/zinc/52/36/01/697523601.db2.gz OOXQDQQHYULANA-QZTJIDSGSA-N 2 1 347.434 1.237 20 0 EDADMP C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)C(C)(C)C[NH+](C)C ZINC000921388949 697588050 /nfs/dbraw/zinc/58/80/50/697588050.db2.gz WVMQPIMGANLBMK-ZBFHGGJFSA-N 2 1 340.512 1.515 20 0 EDADMP CC[C@H](F)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727479 697956123 /nfs/dbraw/zinc/95/61/23/697956123.db2.gz IERLGJTUQUBJIJ-DOTOQJQBSA-N 2 1 341.471 1.426 20 0 EDADMP CC[C@H](F)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727479 697956128 /nfs/dbraw/zinc/95/61/28/697956128.db2.gz IERLGJTUQUBJIJ-DOTOQJQBSA-N 2 1 341.471 1.426 20 0 EDADMP CC[C@@H](F)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727482 697956283 /nfs/dbraw/zinc/95/62/83/697956283.db2.gz IERLGJTUQUBJIJ-WBVHZDCISA-N 2 1 341.471 1.426 20 0 EDADMP CC[C@@H](F)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727482 697956286 /nfs/dbraw/zinc/95/62/86/697956286.db2.gz IERLGJTUQUBJIJ-WBVHZDCISA-N 2 1 341.471 1.426 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnccc2C)C1 ZINC000995037099 700203164 /nfs/dbraw/zinc/20/31/64/700203164.db2.gz MPIVSTGUWLDGBE-FUHWJXTLSA-N 2 1 341.459 1.970 20 0 EDADMP CC1([NH2+]CC2CCC2)CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000940124489 700258131 /nfs/dbraw/zinc/25/81/31/700258131.db2.gz FJUXREHXHNYSPX-DLBZAZTESA-N 2 1 335.492 1.620 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000943756756 698833346 /nfs/dbraw/zinc/83/33/46/698833346.db2.gz VROKXWZFLRFHBT-WMZOPIPTSA-N 2 1 347.507 1.479 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1CN(CCOc2ccccc2F)C1 ZINC001031772355 699098451 /nfs/dbraw/zinc/09/84/51/699098451.db2.gz RKTIYGOYGTWKRQ-KRWDZBQOSA-N 2 1 349.450 1.737 20 0 EDADMP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCOc2ccccc2F)C1 ZINC001031772355 699098453 /nfs/dbraw/zinc/09/84/53/699098453.db2.gz RKTIYGOYGTWKRQ-KRWDZBQOSA-N 2 1 349.450 1.737 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939055271 699116268 /nfs/dbraw/zinc/11/62/68/699116268.db2.gz WKOCATJRPKQUCY-CJNGLKHVSA-N 2 1 331.464 1.063 20 0 EDADMP CCOc1cccc(CN2CC(CNC(=O)[C@H]3CCCCN3C)C2)n1 ZINC001031777060 699161030 /nfs/dbraw/zinc/16/10/30/699161030.db2.gz VFMNBDHRSDSOFP-QGZVFWFLSA-N 2 1 346.475 1.513 20 0 EDADMP CCc1nnc(CN[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939137617 699225037 /nfs/dbraw/zinc/22/50/37/699225037.db2.gz LEFBREBEMWJPTH-ZIAGYGMSSA-N 2 1 349.479 1.300 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC000939319327 699497736 /nfs/dbraw/zinc/49/77/36/699497736.db2.gz IAXQCIXLSDMRGL-SJLPKXTDSA-N 2 1 335.492 1.646 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cscn1 ZINC000939395591 699545670 /nfs/dbraw/zinc/54/56/70/699545670.db2.gz ALMNTNBQZFMSDE-HOCLYGCPSA-N 2 1 336.505 1.812 20 0 EDADMP COc1cc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)ccn1 ZINC000939748380 699894999 /nfs/dbraw/zinc/89/49/99/699894999.db2.gz PCSLWTOVANJUCU-BBRMVZONSA-N 2 1 343.431 1.232 20 0 EDADMP COc1ccnc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)c1 ZINC000939749657 699896933 /nfs/dbraw/zinc/89/69/33/699896933.db2.gz WTPXWXREOJMCIX-DYVFJYSZSA-N 2 1 343.431 1.232 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000939753886 699903476 /nfs/dbraw/zinc/90/34/76/699903476.db2.gz JERKWXFPFROLCT-DZGCQCFKSA-N 2 1 332.448 1.584 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000939753960 699903752 /nfs/dbraw/zinc/90/37/52/699903752.db2.gz KDFATPOXGHNQSF-RYUDHWBXSA-N 2 1 342.896 1.829 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1nnc(C2CC2)s1 ZINC000939755552 699906805 /nfs/dbraw/zinc/90/68/05/699906805.db2.gz QWJZNSZGHZEUHA-OCCSQVGLSA-N 2 1 349.504 1.448 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nonc2C)CC1 ZINC000940141923 700269928 /nfs/dbraw/zinc/26/99/28/700269928.db2.gz LFHSTMLVRVFDAV-INIZCTEOSA-N 2 1 349.479 1.723 20 0 EDADMP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2nc(C3CC3)no2)CC1)[NH+](C)C ZINC000940176376 700308681 /nfs/dbraw/zinc/30/86/81/700308681.db2.gz HFXRHNFTWMNWPF-CQSZACIVSA-N 2 1 349.479 1.758 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000940327707 700504540 /nfs/dbraw/zinc/50/45/40/700504540.db2.gz OZBNRIMILKRFHM-KGLIPLIRSA-N 2 1 349.479 1.300 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000940327707 700504542 /nfs/dbraw/zinc/50/45/42/700504542.db2.gz OZBNRIMILKRFHM-KGLIPLIRSA-N 2 1 349.479 1.300 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940327712 700504725 /nfs/dbraw/zinc/50/47/25/700504725.db2.gz OZTAFBSMVGRVBT-RDJZCZTQSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)oc1C ZINC000940328360 700506492 /nfs/dbraw/zinc/50/64/92/700506492.db2.gz HPEZQEIZFDDRLS-XJKSGUPXSA-N 2 1 348.491 1.960 20 0 EDADMP CCn1ncnc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000940329169 700508663 /nfs/dbraw/zinc/50/86/63/700508663.db2.gz QTVZXYZFZHMDEZ-HNNXBMFYSA-N 2 1 348.495 1.111 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000940426480 700620074 /nfs/dbraw/zinc/62/00/74/700620074.db2.gz SFDITAKQXSJNOM-MRXNPFEDSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000940471904 700657279 /nfs/dbraw/zinc/65/72/79/700657279.db2.gz AQNNOGZPVHUZDP-UHFFFAOYSA-N 2 1 349.479 1.725 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1 ZINC000940472489 700657774 /nfs/dbraw/zinc/65/77/74/700657774.db2.gz YVNCCSBGKRIJCT-OKILXGFUSA-N 2 1 335.452 1.413 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000940457473 700661118 /nfs/dbraw/zinc/66/11/18/700661118.db2.gz HMLURNASDSPBKH-ZDUSSCGKSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000940457473 700661120 /nfs/dbraw/zinc/66/11/20/700661120.db2.gz HMLURNASDSPBKH-ZDUSSCGKSA-N 2 1 335.452 1.054 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940461465 700664685 /nfs/dbraw/zinc/66/46/85/700664685.db2.gz CHLCDWHIKLSCJE-UHFFFAOYSA-N 2 1 334.464 1.589 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940748274 700873938 /nfs/dbraw/zinc/87/39/38/700873938.db2.gz WXWYODKRERPATK-CVEARBPZSA-N 2 1 339.524 1.848 20 0 EDADMP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)CC2(C)C)cn1 ZINC000940836869 700934758 /nfs/dbraw/zinc/93/47/58/700934758.db2.gz NPNFZKDMQAQKQA-ZIAGYGMSSA-N 2 1 349.479 1.017 20 0 EDADMP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCN([C@H](C)C(N)=O)CC2(C)C)cn1 ZINC000940836869 700934759 /nfs/dbraw/zinc/93/47/59/700934759.db2.gz NPNFZKDMQAQKQA-ZIAGYGMSSA-N 2 1 349.479 1.017 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901850 700976811 /nfs/dbraw/zinc/97/68/11/700976811.db2.gz RFLNYDQTBLILJE-MUZJZNNISA-N 2 1 349.519 1.722 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901850 700976812 /nfs/dbraw/zinc/97/68/12/700976812.db2.gz RFLNYDQTBLILJE-MUZJZNNISA-N 2 1 349.519 1.722 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901850 700976813 /nfs/dbraw/zinc/97/68/13/700976813.db2.gz RFLNYDQTBLILJE-MUZJZNNISA-N 2 1 349.519 1.722 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ncccn3)C2)C1 ZINC000995110452 700998618 /nfs/dbraw/zinc/99/86/18/700998618.db2.gz YSXBLZRZOZUZAG-JKSUJKDBSA-N 2 1 345.491 1.583 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001031919053 701041040 /nfs/dbraw/zinc/04/10/40/701041040.db2.gz LTJOQKSGBLDKRN-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP CCC(CC)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031923288 701096351 /nfs/dbraw/zinc/09/63/51/701096351.db2.gz YHCDEVHNGVBPCK-KRWDZBQOSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000941076287 701103978 /nfs/dbraw/zinc/10/39/78/701103978.db2.gz VPUZEMVBQWVZCU-IAGOWNOFSA-N 2 1 339.524 1.848 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941076287 701103979 /nfs/dbraw/zinc/10/39/79/701103979.db2.gz VPUZEMVBQWVZCU-IAGOWNOFSA-N 2 1 339.524 1.848 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941076287 701103980 /nfs/dbraw/zinc/10/39/80/701103980.db2.gz VPUZEMVBQWVZCU-IAGOWNOFSA-N 2 1 339.524 1.848 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214846 701401301 /nfs/dbraw/zinc/40/13/01/701401301.db2.gz FABYYIJDWFLPDZ-MRXNPFEDSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)no1 ZINC000941216031 701402217 /nfs/dbraw/zinc/40/22/17/701402217.db2.gz BZWXUNMZJWJPSZ-ZBFHGGJFSA-N 2 1 334.464 1.651 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(F)cn3)CC2(C)C)C1 ZINC000941217576 701403585 /nfs/dbraw/zinc/40/35/85/701403585.db2.gz PNWZIDLYJANBPK-RHSMWYFYSA-N 2 1 348.466 1.889 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(F)cn3)CC2(C)C)C1 ZINC000941217576 701403587 /nfs/dbraw/zinc/40/35/87/701403587.db2.gz PNWZIDLYJANBPK-RHSMWYFYSA-N 2 1 348.466 1.889 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)cn3)CC2(C)C)C1 ZINC000941217576 701403588 /nfs/dbraw/zinc/40/35/88/701403588.db2.gz PNWZIDLYJANBPK-RHSMWYFYSA-N 2 1 348.466 1.889 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)cn3)CC2(C)C)C1 ZINC000941217576 701403589 /nfs/dbraw/zinc/40/35/89/701403589.db2.gz PNWZIDLYJANBPK-RHSMWYFYSA-N 2 1 348.466 1.889 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221630 701412607 /nfs/dbraw/zinc/41/26/07/701412607.db2.gz ZEQJMWBMPYMPBX-KRWDZBQOSA-N 2 1 330.476 1.894 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)oc1C ZINC000999171592 706602110 /nfs/dbraw/zinc/60/21/10/706602110.db2.gz XEGWVKNIICOMGG-DLBZAZTESA-N 2 1 346.475 1.714 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]Cc2cscn2)C1 ZINC000999176489 706618462 /nfs/dbraw/zinc/61/84/62/706618462.db2.gz WONNQRMVAZFZEP-GOEBONIOSA-N 2 1 334.489 1.566 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCCOC1 ZINC001032657872 706621919 /nfs/dbraw/zinc/62/19/19/706621919.db2.gz HPCJPFPCYOZCJK-ULQDDVLXSA-N 2 1 346.475 1.718 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCCOC1 ZINC001032657872 706621922 /nfs/dbraw/zinc/62/19/22/706621922.db2.gz HPCJPFPCYOZCJK-ULQDDVLXSA-N 2 1 346.475 1.718 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3coc(C4CC4)n3)C2)CC[N@@H+]1C ZINC000999189015 706630535 /nfs/dbraw/zinc/63/05/35/706630535.db2.gz GEXYHJNSDCFHPY-FRFSOERESA-N 2 1 346.475 1.973 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3coc(C4CC4)n3)C2)CC[N@H+]1C ZINC000999189015 706630537 /nfs/dbraw/zinc/63/05/37/706630537.db2.gz GEXYHJNSDCFHPY-FRFSOERESA-N 2 1 346.475 1.973 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cc4ccccc4o3)C2)C1 ZINC001032181211 702095932 /nfs/dbraw/zinc/09/59/32/702095932.db2.gz CGTWMABHOXGECO-MRXNPFEDSA-N 2 1 327.428 1.933 20 0 EDADMP COCc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032181207 702096437 /nfs/dbraw/zinc/09/64/37/702096437.db2.gz CGSPOHSAUXWPFI-GOSISDBHSA-N 2 1 331.460 1.333 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)co1 ZINC000995831013 702106406 /nfs/dbraw/zinc/10/64/06/702106406.db2.gz JUBACDBENMINPX-WQVCFCJDSA-N 2 1 334.464 1.650 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)co1 ZINC000995831013 702106410 /nfs/dbraw/zinc/10/64/10/702106410.db2.gz JUBACDBENMINPX-WQVCFCJDSA-N 2 1 334.464 1.650 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001032206024 702122140 /nfs/dbraw/zinc/12/21/40/702122140.db2.gz PRHPEWUJXXBWGX-AEFFLSMTSA-N 2 1 337.508 1.726 20 0 EDADMP Cn1cc(C[NH+]2CC(CNC(=O)c3ccccc3C[NH+](C)C)C2)cn1 ZINC001032206646 702154410 /nfs/dbraw/zinc/15/44/10/702154410.db2.gz GAGXINQWIKWSED-UHFFFAOYSA-N 2 1 341.459 1.344 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)sn1 ZINC000944168255 702407710 /nfs/dbraw/zinc/40/77/10/702407710.db2.gz IGLVXTSHFQNWJO-BBRMVZONSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+][C@H](C)c2cnccn2)C(C)(C)C1 ZINC000996041682 702457608 /nfs/dbraw/zinc/45/76/08/702457608.db2.gz GZTKKQOEASRJEG-GDBMZVCRSA-N 2 1 342.447 1.569 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2cnc(C)nc2)C(C)(C)C1 ZINC000996042173 702458665 /nfs/dbraw/zinc/45/86/65/702458665.db2.gz KGPWVIKJWSKTJM-INIZCTEOSA-N 2 1 342.447 1.317 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)nn1C ZINC000996300960 702692674 /nfs/dbraw/zinc/69/26/74/702692674.db2.gz PQORZXRAWPRMNX-RHSMWYFYSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1nnc(CN[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)o1 ZINC000996301488 702693393 /nfs/dbraw/zinc/69/33/93/702693393.db2.gz UFPLUXLZBICNST-JSGCOSHPSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1cc(CN[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)no1 ZINC000996301465 702693410 /nfs/dbraw/zinc/69/34/10/702693410.db2.gz TXVHOLXWYHACKM-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)no1 ZINC000996301465 702693413 /nfs/dbraw/zinc/69/34/13/702693413.db2.gz TXVHOLXWYHACKM-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnc(C)cn2)C1 ZINC000995212404 702698265 /nfs/dbraw/zinc/69/82/65/702698265.db2.gz OXKUCEDGIXSKJN-CVEARBPZSA-N 2 1 342.447 1.365 20 0 EDADMP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)n1 ZINC000996477781 702809580 /nfs/dbraw/zinc/80/95/80/702809580.db2.gz OSKVNNLTAZNAGK-CRAIPNDOSA-N 2 1 345.491 1.375 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996515270 702851165 /nfs/dbraw/zinc/85/11/65/702851165.db2.gz PRGWBCDMZMAACH-NVXWUHKLSA-N 2 1 345.491 1.453 20 0 EDADMP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1nccs1 ZINC000996518367 702853987 /nfs/dbraw/zinc/85/39/87/702853987.db2.gz DNWRUPCQUPKYSF-CYBMUJFWSA-N 2 1 334.489 1.566 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)c(C)o1 ZINC000996519031 702854626 /nfs/dbraw/zinc/85/46/26/702854626.db2.gz MNWJCQSRYCMUDB-NVXWUHKLSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)c(C)o1 ZINC000996519031 702854629 /nfs/dbraw/zinc/85/46/29/702854629.db2.gz MNWJCQSRYCMUDB-NVXWUHKLSA-N 2 1 348.491 1.960 20 0 EDADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996520574 702856479 /nfs/dbraw/zinc/85/64/79/702856479.db2.gz SQXFQWVTWXHKIT-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996521360 702857004 /nfs/dbraw/zinc/85/70/04/702857004.db2.gz VKMVRCROKJANKT-UKRRQHHQSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996521360 702857007 /nfs/dbraw/zinc/85/70/07/702857007.db2.gz VKMVRCROKJANKT-UKRRQHHQSA-N 2 1 335.452 1.046 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cncs3)CC2)CC[N@H+]1C ZINC000996601970 702908866 /nfs/dbraw/zinc/90/88/66/702908866.db2.gz CSDDHQMOOXFPKN-JKSUJKDBSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC000996607425 702910636 /nfs/dbraw/zinc/91/06/36/702910636.db2.gz OHWXYGWCOCMFHI-CXAGYDPISA-N 2 1 331.464 1.206 20 0 EDADMP COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996607533 702910803 /nfs/dbraw/zinc/91/08/03/702910803.db2.gz CJEGAWRGSOQJKL-GOEBONIOSA-N 2 1 346.475 1.369 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)CC[N@H+]1C ZINC000996610140 702921090 /nfs/dbraw/zinc/92/10/90/702921090.db2.gz YUGDWLCRRIDPAX-RDTXWAMCSA-N 2 1 345.491 1.250 20 0 EDADMP Cc1nnsc1C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996610031 702921202 /nfs/dbraw/zinc/92/12/02/702921202.db2.gz JAYTUSUSSIRFPK-JSGCOSHPSA-N 2 1 337.493 1.125 20 0 EDADMP Cc1cncc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)c1 ZINC000996619051 702925529 /nfs/dbraw/zinc/92/55/29/702925529.db2.gz YIHCUHWVZBCKAJ-IRXDYDNUSA-N 2 1 330.476 1.668 20 0 EDADMP Cc1nnsc1C[NH2+]C1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC000996653160 702942490 /nfs/dbraw/zinc/94/24/90/702942490.db2.gz ZCFCMMWXYFEVLZ-UHFFFAOYSA-N 2 1 334.449 1.283 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cncn3C)CC2)C1 ZINC000996666455 702963241 /nfs/dbraw/zinc/96/32/41/702963241.db2.gz QODBDGWAFQZQHA-MRXNPFEDSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000996666487 702963263 /nfs/dbraw/zinc/96/32/63/702963263.db2.gz SJKFNSJKLGMJHF-UHFFFAOYSA-N 2 1 349.479 1.758 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000996666487 702963265 /nfs/dbraw/zinc/96/32/65/702963265.db2.gz SJKFNSJKLGMJHF-UHFFFAOYSA-N 2 1 349.479 1.758 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC000996668913 702965501 /nfs/dbraw/zinc/96/55/01/702965501.db2.gz MHQSTEVFGKPYIP-MRXNPFEDSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC000996668913 702965502 /nfs/dbraw/zinc/96/55/02/702965502.db2.gz MHQSTEVFGKPYIP-MRXNPFEDSA-N 2 1 349.479 1.722 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc(C)on2)CC1 ZINC000996664404 702966866 /nfs/dbraw/zinc/96/68/66/702966866.db2.gz WDHFBHRECFIERT-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)o1 ZINC000996666285 702968502 /nfs/dbraw/zinc/96/85/02/702968502.db2.gz QCXVDOSOQZXKEI-ZDUSSCGKSA-N 2 1 349.479 1.758 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000996671857 702972956 /nfs/dbraw/zinc/97/29/56/702972956.db2.gz OLTABEOQCPTVBC-LSDHHAIUSA-N 2 1 348.495 1.016 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000996671857 702972957 /nfs/dbraw/zinc/97/29/57/702972957.db2.gz OLTABEOQCPTVBC-LSDHHAIUSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1oncc1C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996685822 702983604 /nfs/dbraw/zinc/98/36/04/702983604.db2.gz AYMNQCFAKAIGLI-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCOCC2)C[C@@H]1C ZINC000942517671 703010899 /nfs/dbraw/zinc/01/08/99/703010899.db2.gz DPTLKKKTUBRKJN-MAUKXSAKSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCC2CCOCC2)C[C@@H]1C ZINC000942517671 703010901 /nfs/dbraw/zinc/01/09/01/703010901.db2.gz DPTLKKKTUBRKJN-MAUKXSAKSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)o1 ZINC000996720489 703014227 /nfs/dbraw/zinc/01/42/27/703014227.db2.gz TWNXYKMFIWCXAN-HOTGVXAUSA-N 2 1 347.463 1.476 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)o1 ZINC000996720489 703014229 /nfs/dbraw/zinc/01/42/29/703014229.db2.gz TWNXYKMFIWCXAN-HOTGVXAUSA-N 2 1 347.463 1.476 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)nn1C ZINC000996723310 703018350 /nfs/dbraw/zinc/01/83/50/703018350.db2.gz LGOSTGVDXYAMNY-QGZVFWFLSA-N 2 1 333.480 1.293 20 0 EDADMP C[C@H]1C[N@H+](CC2CC2)CC[C@@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000942521659 703023854 /nfs/dbraw/zinc/02/38/54/703023854.db2.gz YEYIPYPIFJJWOS-HOCLYGCPSA-N 2 1 330.476 1.999 20 0 EDADMP C[C@H]1C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000942521659 703023856 /nfs/dbraw/zinc/02/38/56/703023856.db2.gz YEYIPYPIFJJWOS-HOCLYGCPSA-N 2 1 330.476 1.999 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccccc1 ZINC001032684323 706715990 /nfs/dbraw/zinc/71/59/90/706715990.db2.gz LFCKFNANPNKYMM-OALUTQOASA-N 2 1 343.471 1.237 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccccc1 ZINC001032684323 706715992 /nfs/dbraw/zinc/71/59/92/706715992.db2.gz LFCKFNANPNKYMM-OALUTQOASA-N 2 1 343.471 1.237 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1=CCCCC1 ZINC001032684325 706716033 /nfs/dbraw/zinc/71/60/33/706716033.db2.gz LFURKKREDWLVSR-OALUTQOASA-N 2 1 347.503 1.884 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1=CCCCC1 ZINC001032684325 706716036 /nfs/dbraw/zinc/71/60/36/706716036.db2.gz LFURKKREDWLVSR-OALUTQOASA-N 2 1 347.503 1.884 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCc2cnn(C)c2)C1 ZINC001032026906 703046505 /nfs/dbraw/zinc/04/65/05/703046505.db2.gz KNRYVTKUBWOVJJ-GOSISDBHSA-N 2 1 347.507 1.274 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996766218 703057694 /nfs/dbraw/zinc/05/76/94/703057694.db2.gz ZIZMUKMDZZKEQN-QGZVFWFLSA-N 2 1 345.491 1.678 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596770 703111203 /nfs/dbraw/zinc/11/12/03/703111203.db2.gz GDKOQWDNOZSNII-PBHICJAKSA-N 2 1 333.480 1.089 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3ccn(C)n3)CC2)C1 ZINC000996903019 703177648 /nfs/dbraw/zinc/17/76/48/703177648.db2.gz GKHCZYAMLFNUPK-INIZCTEOSA-N 2 1 347.507 1.623 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC000996923638 703186247 /nfs/dbraw/zinc/18/62/47/703186247.db2.gz UULDPUQZISJCKW-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC000996923638 703186248 /nfs/dbraw/zinc/18/62/48/703186248.db2.gz UULDPUQZISJCKW-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032042623 703204117 /nfs/dbraw/zinc/20/41/17/703204117.db2.gz GWWRNYVKXDVWPD-MSOLQXFVSA-N 2 1 345.491 1.028 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032043554 703249336 /nfs/dbraw/zinc/24/93/36/703249336.db2.gz IGYZPFNQKXWUGF-RTBURBONSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032043554 703249338 /nfs/dbraw/zinc/24/93/38/703249338.db2.gz IGYZPFNQKXWUGF-RTBURBONSA-N 2 1 342.487 1.955 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000997007788 703265046 /nfs/dbraw/zinc/26/50/46/703265046.db2.gz JNRVAOHEYBYOGS-DZGCQCFKSA-N 2 1 349.479 1.471 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000997007788 703265048 /nfs/dbraw/zinc/26/50/48/703265048.db2.gz JNRVAOHEYBYOGS-DZGCQCFKSA-N 2 1 349.479 1.471 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000997013239 703272958 /nfs/dbraw/zinc/27/29/58/703272958.db2.gz ZFSDIGKCRVKSHZ-DZGCQCFKSA-N 2 1 349.479 1.471 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000997013239 703272959 /nfs/dbraw/zinc/27/29/59/703272959.db2.gz ZFSDIGKCRVKSHZ-DZGCQCFKSA-N 2 1 349.479 1.471 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000997064169 703308841 /nfs/dbraw/zinc/30/88/41/703308841.db2.gz VPNFRDRZZUWMGU-GOSISDBHSA-N 2 1 347.507 1.764 20 0 EDADMP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000997081367 703320122 /nfs/dbraw/zinc/32/01/22/703320122.db2.gz DPKIHVIISDANJL-HOTGVXAUSA-N 2 1 349.504 1.636 20 0 EDADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000997081367 703320125 /nfs/dbraw/zinc/32/01/25/703320125.db2.gz DPKIHVIISDANJL-HOTGVXAUSA-N 2 1 349.504 1.636 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821370 703329713 /nfs/dbraw/zinc/32/97/13/703329713.db2.gz DWVWJFWOYFJVPO-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821370 703329715 /nfs/dbraw/zinc/32/97/15/703329715.db2.gz DWVWJFWOYFJVPO-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccn(C)n2)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821370 703329718 /nfs/dbraw/zinc/32/97/18/703329718.db2.gz DWVWJFWOYFJVPO-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccn(C)n2)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821370 703329719 /nfs/dbraw/zinc/32/97/19/703329719.db2.gz DWVWJFWOYFJVPO-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032407392 703432897 /nfs/dbraw/zinc/43/28/97/703432897.db2.gz CJKAKRHTJKPDEY-GBESFXJTSA-N 2 1 347.503 1.430 20 0 EDADMP Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032408341 703434711 /nfs/dbraw/zinc/43/47/11/703434711.db2.gz YITPLBBKIWGBIA-BZSNNMDCSA-N 2 1 340.471 1.517 20 0 EDADMP Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032408341 703434713 /nfs/dbraw/zinc/43/47/13/703434713.db2.gz YITPLBBKIWGBIA-BZSNNMDCSA-N 2 1 340.471 1.517 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997185007 703473920 /nfs/dbraw/zinc/47/39/20/703473920.db2.gz OKMJPDRDDHECGS-OAHLLOKOSA-N 2 1 348.491 1.968 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997185831 703474807 /nfs/dbraw/zinc/47/48/07/703474807.db2.gz SKQJNLZEBOKDIW-AWEZNQCLSA-N 2 1 348.495 1.351 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000997275574 703535454 /nfs/dbraw/zinc/53/54/54/703535454.db2.gz WTKVZFXTNXOJBR-RYRKJORJSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nsc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997300839 703544308 /nfs/dbraw/zinc/54/43/08/703544308.db2.gz YHARSJAFPGSLMM-CQSZACIVSA-N 2 1 336.505 1.792 20 0 EDADMP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997297202 703555784 /nfs/dbraw/zinc/55/57/84/703555784.db2.gz CUGLYQFJXQLNMT-HNNXBMFYSA-N 2 1 332.448 1.123 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC000997308547 703566461 /nfs/dbraw/zinc/56/64/61/703566461.db2.gz GFZZSTNRKVCLQW-UHFFFAOYSA-N 2 1 343.431 1.376 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)s1 ZINC000997308556 703566531 /nfs/dbraw/zinc/56/65/31/703566531.db2.gz GHHKAFPIMXSPBB-LLVKDONJSA-N 2 1 348.476 1.693 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000997367151 703601376 /nfs/dbraw/zinc/60/13/76/703601376.db2.gz WAQUWAMOSQCTEN-OAHLLOKOSA-N 2 1 337.493 1.493 20 0 EDADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001032443743 703620490 /nfs/dbraw/zinc/62/04/90/703620490.db2.gz BRNSWMMRHCACJD-YESZJQIVSA-N 2 1 347.507 1.535 20 0 EDADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032443743 703620491 /nfs/dbraw/zinc/62/04/91/703620491.db2.gz BRNSWMMRHCACJD-YESZJQIVSA-N 2 1 347.507 1.535 20 0 EDADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC[C@@H]2CCOC2)CCC1 ZINC001032444455 703621659 /nfs/dbraw/zinc/62/16/59/703621659.db2.gz ZLDRTPIVWTWUQG-IKGGRYGDSA-N 2 1 335.492 1.573 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CC1 ZINC001032444438 703621689 /nfs/dbraw/zinc/62/16/89/703621689.db2.gz YQOWJQPCRGDKJY-GBESFXJTSA-N 2 1 347.503 1.715 20 0 EDADMP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CC1 ZINC001032444438 703621690 /nfs/dbraw/zinc/62/16/90/703621690.db2.gz YQOWJQPCRGDKJY-GBESFXJTSA-N 2 1 347.503 1.715 20 0 EDADMP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CC1 ZINC001032444438 703621691 /nfs/dbraw/zinc/62/16/91/703621691.db2.gz YQOWJQPCRGDKJY-GBESFXJTSA-N 2 1 347.503 1.715 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCOCC1 ZINC001032479621 703713866 /nfs/dbraw/zinc/71/38/66/703713866.db2.gz PRGJXPZPPBUSEJ-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032479621 703713867 /nfs/dbraw/zinc/71/38/67/703713867.db2.gz PRGJXPZPPBUSEJ-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032479621 703713868 /nfs/dbraw/zinc/71/38/68/703713868.db2.gz PRGJXPZPPBUSEJ-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)Cc2cncn2C)C[C@H]1C ZINC000947930669 703883306 /nfs/dbraw/zinc/88/33/06/703883306.db2.gz TUWWHMWFFIVABP-IUODEOHRSA-N 2 1 331.420 1.428 20 0 EDADMP Cc1oncc1CN1CC[C@@H](NC(=O)Cc2cncn2C)C[C@H]1C ZINC000947930669 703883308 /nfs/dbraw/zinc/88/33/08/703883308.db2.gz TUWWHMWFFIVABP-IUODEOHRSA-N 2 1 331.420 1.428 20 0 EDADMP COc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)on1 ZINC000997611935 703909163 /nfs/dbraw/zinc/90/91/63/703909163.db2.gz IFGBLOPXBJJKPY-HNNXBMFYSA-N 2 1 336.436 1.106 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922547140 703953337 /nfs/dbraw/zinc/95/33/37/703953337.db2.gz OVLXGSJBROVWMB-ARFHVFGLSA-N 2 1 342.553 1.986 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922547140 703953340 /nfs/dbraw/zinc/95/33/40/703953340.db2.gz OVLXGSJBROVWMB-ARFHVFGLSA-N 2 1 342.553 1.986 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000922547140 703953342 /nfs/dbraw/zinc/95/33/42/703953342.db2.gz OVLXGSJBROVWMB-ARFHVFGLSA-N 2 1 342.553 1.986 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995550977 703955240 /nfs/dbraw/zinc/95/52/40/703955240.db2.gz LAFRAFFUSGFIOG-CVEARBPZSA-N 2 1 334.464 1.712 20 0 EDADMP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)o1 ZINC000995551959 703958764 /nfs/dbraw/zinc/95/87/64/703958764.db2.gz PBOHZLFEUFCFQF-GDBMZVCRSA-N 2 1 348.491 1.966 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001004208426 703969067 /nfs/dbraw/zinc/96/90/67/703969067.db2.gz PBZBMUKNTXMDJX-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)NCC[N@H+]1CCCOCC1)c1cccnc1 ZINC000922607424 704126230 /nfs/dbraw/zinc/12/62/30/704126230.db2.gz HNPWJDPTWNTXHP-KRWDZBQOSA-N 2 1 349.479 1.096 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001033081479 704136931 /nfs/dbraw/zinc/13/69/31/704136931.db2.gz NHAGJJYRUOLLCG-ZBFHGGJFSA-N 2 1 334.489 1.518 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001033081479 704136933 /nfs/dbraw/zinc/13/69/33/704136933.db2.gz NHAGJJYRUOLLCG-ZBFHGGJFSA-N 2 1 334.489 1.518 20 0 EDADMP C[C@H](F)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084051 704153167 /nfs/dbraw/zinc/15/31/67/704153167.db2.gz DTZRZDKNCJNXLC-GJZGRUSLSA-N 2 1 339.459 1.339 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCOc3ccccc3)C2)CC[N@H+]1C ZINC001033093181 704170028 /nfs/dbraw/zinc/17/00/28/704170028.db2.gz XRKCMQKBSSMUAH-ZHALLVOQSA-N 2 1 345.487 1.938 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCOc3ccccc3)C2)CC[NH+]1C ZINC001033093181 704170030 /nfs/dbraw/zinc/17/00/30/704170030.db2.gz XRKCMQKBSSMUAH-ZHALLVOQSA-N 2 1 345.487 1.938 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCOc3ccccc3)C2)CC[NH+]1C ZINC001033093181 704170031 /nfs/dbraw/zinc/17/00/31/704170031.db2.gz XRKCMQKBSSMUAH-ZHALLVOQSA-N 2 1 345.487 1.938 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033095143 704180908 /nfs/dbraw/zinc/18/09/08/704180908.db2.gz RKEFTWPKESMCQN-IXDOHACOSA-N 2 1 330.476 1.763 20 0 EDADMP Cc1cccnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095143 704180910 /nfs/dbraw/zinc/18/09/10/704180910.db2.gz RKEFTWPKESMCQN-IXDOHACOSA-N 2 1 330.476 1.763 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095143 704180913 /nfs/dbraw/zinc/18/09/13/704180913.db2.gz RKEFTWPKESMCQN-IXDOHACOSA-N 2 1 330.476 1.763 20 0 EDADMP CCc1nc(N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc(C)[nH+]1 ZINC001061470476 704204043 /nfs/dbraw/zinc/20/40/43/704204043.db2.gz FKVHVIPEZGYPIW-OWCLPIDISA-N 2 1 345.491 1.773 20 0 EDADMP CCc1nc(N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc(C)[nH+]1 ZINC001061470476 704204046 /nfs/dbraw/zinc/20/40/46/704204046.db2.gz FKVHVIPEZGYPIW-OWCLPIDISA-N 2 1 345.491 1.773 20 0 EDADMP O=C([C@@H]1C[C@@H]2CCCC[NH+]2C1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946592501 704230672 /nfs/dbraw/zinc/23/06/72/704230672.db2.gz QPXOVYYJEXFCCK-XDNAFOTISA-N 2 1 335.492 1.024 20 0 EDADMP O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946592501 704230676 /nfs/dbraw/zinc/23/06/76/704230676.db2.gz QPXOVYYJEXFCCK-XDNAFOTISA-N 2 1 335.492 1.024 20 0 EDADMP O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946592501 704230680 /nfs/dbraw/zinc/23/06/80/704230680.db2.gz QPXOVYYJEXFCCK-XDNAFOTISA-N 2 1 335.492 1.024 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC000999308217 706809257 /nfs/dbraw/zinc/80/92/57/706809257.db2.gz RBBRIILSLSNESO-QZTJIDSGSA-N 2 1 347.507 1.858 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC000999309642 706812354 /nfs/dbraw/zinc/81/23/54/706812354.db2.gz VJMCYFRDJBQABV-AEFFLSMTSA-N 2 1 347.507 1.418 20 0 EDADMP C[C@H](c1ncccn1)[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997707607 704598430 /nfs/dbraw/zinc/59/84/30/704598430.db2.gz DPIJHUGLOSGUHB-ZMSDIMECSA-N 2 1 345.491 1.849 20 0 EDADMP C[C@H](c1ncccn1)[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997707607 704598431 /nfs/dbraw/zinc/59/84/31/704598431.db2.gz DPIJHUGLOSGUHB-ZMSDIMECSA-N 2 1 345.491 1.849 20 0 EDADMP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000997787405 704696671 /nfs/dbraw/zinc/69/66/71/704696671.db2.gz ZTNGBHCEJPLATF-WOSRLPQWSA-N 2 1 349.479 1.607 20 0 EDADMP Cn1cncc1C[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000997840548 704757146 /nfs/dbraw/zinc/75/71/46/704757146.db2.gz ONJVMFBXXBXCBO-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cncs2)CC1 ZINC000997864812 704770233 /nfs/dbraw/zinc/77/02/33/704770233.db2.gz AKNFNRAKBWXOSK-DZGCQCFKSA-N 2 1 336.505 1.812 20 0 EDADMP CCc1nocc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997865825 704772790 /nfs/dbraw/zinc/77/27/90/704772790.db2.gz INLLGOVQYOFVMX-GOEBONIOSA-N 2 1 348.491 1.905 20 0 EDADMP CCn1nncc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997866384 704772948 /nfs/dbraw/zinc/77/29/48/704772948.db2.gz SJOBQWZCNWQLFV-QGZVFWFLSA-N 2 1 348.495 1.111 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1C ZINC000944943620 704796218 /nfs/dbraw/zinc/79/62/18/704796218.db2.gz JBTWVUHYABTLNJ-YOEHRIQHSA-N 2 1 334.464 1.445 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1C ZINC000944943620 704796221 /nfs/dbraw/zinc/79/62/21/704796221.db2.gz JBTWVUHYABTLNJ-YOEHRIQHSA-N 2 1 334.464 1.445 20 0 EDADMP CCn1ccnc1CN1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944965363 704835527 /nfs/dbraw/zinc/83/55/27/704835527.db2.gz RIFDGOZVUGBLST-ZBFHGGJFSA-N 2 1 344.463 1.435 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+][C@@H](C)c2ncccn2)CC1 ZINC000997916343 704981453 /nfs/dbraw/zinc/98/14/53/704981453.db2.gz RXTXIOCXOWPPGF-HNNXBMFYSA-N 2 1 342.447 1.571 20 0 EDADMP C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000945094953 705066581 /nfs/dbraw/zinc/06/65/81/705066581.db2.gz ZCHRSONJCMBIJX-CRAIPNDOSA-N 2 1 333.476 1.571 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000998078992 705292013 /nfs/dbraw/zinc/29/20/13/705292013.db2.gz NUMIRNQFXVYTGB-BBRMVZONSA-N 2 1 336.505 1.669 20 0 EDADMP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000998078317 705299107 /nfs/dbraw/zinc/29/91/07/705299107.db2.gz LGUANWRWOHLLBM-DYVFJYSZSA-N 2 1 348.491 1.817 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)oc1C ZINC000998080503 705305874 /nfs/dbraw/zinc/30/58/74/705305874.db2.gz BRTYVRPEBUOLMP-DYVFJYSZSA-N 2 1 348.491 1.817 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC000998082625 705309965 /nfs/dbraw/zinc/30/99/65/705309965.db2.gz RPVZQQUDMHRTCN-OAHLLOKOSA-N 2 1 345.491 1.455 20 0 EDADMP CCN(C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998108204 705356870 /nfs/dbraw/zinc/35/68/70/705356870.db2.gz DYAOEWGMFKAUJA-DLBZAZTESA-N 2 1 348.491 1.449 20 0 EDADMP CCN(C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998108204 705356874 /nfs/dbraw/zinc/35/68/74/705356874.db2.gz DYAOEWGMFKAUJA-DLBZAZTESA-N 2 1 348.491 1.449 20 0 EDADMP CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998189254 705494372 /nfs/dbraw/zinc/49/43/72/705494372.db2.gz MTXMWBGQZXSXIZ-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998189254 705494373 /nfs/dbraw/zinc/49/43/73/705494373.db2.gz MTXMWBGQZXSXIZ-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000998189254 705494377 /nfs/dbraw/zinc/49/43/77/705494377.db2.gz MTXMWBGQZXSXIZ-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998189254 705494380 /nfs/dbraw/zinc/49/43/80/705494380.db2.gz MTXMWBGQZXSXIZ-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC000998215491 705536429 /nfs/dbraw/zinc/53/64/29/705536429.db2.gz AFRXEVFWKHFRSK-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000998215621 705536894 /nfs/dbraw/zinc/53/68/94/705536894.db2.gz COWCQHSFFWRDNF-INIZCTEOSA-N 2 1 334.464 1.653 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)c1ncccn1 ZINC000998216769 705539680 /nfs/dbraw/zinc/53/96/80/705539680.db2.gz KPSKZGQBZUPUPL-NVXWUHKLSA-N 2 1 345.491 1.708 20 0 EDADMP CCc1cnc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000998217680 705540437 /nfs/dbraw/zinc/54/04/37/705540437.db2.gz QSOZQZAZXBPWPX-INIZCTEOSA-N 2 1 348.491 1.907 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000998269927 705647262 /nfs/dbraw/zinc/64/72/62/705647262.db2.gz RCFLXHXLOWLSKW-UHFFFAOYSA-N 2 1 333.461 1.676 20 0 EDADMP CCc1nocc1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998274181 705655154 /nfs/dbraw/zinc/65/51/54/705655154.db2.gz RJPSOTOELCWSRL-HNNXBMFYSA-N 2 1 334.464 1.517 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1 ZINC000998279707 705670382 /nfs/dbraw/zinc/67/03/82/705670382.db2.gz JZFYXCIWTIJKGU-KBPBESRZSA-N 2 1 344.381 1.971 20 0 EDADMP CCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC000998317160 705738485 /nfs/dbraw/zinc/73/84/85/705738485.db2.gz SPRCKQDFUCWQGO-STQMWFEESA-N 2 1 332.370 1.971 20 0 EDADMP COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000998547962 705982781 /nfs/dbraw/zinc/98/27/81/705982781.db2.gz CZIQFOHJAKALSY-UYSNPLJNSA-N 2 1 332.448 1.263 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000998554632 705989380 /nfs/dbraw/zinc/98/93/80/705989380.db2.gz ZIALTXXDBRBEKX-RUXDESIVSA-N 2 1 333.436 1.120 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000998554632 705989382 /nfs/dbraw/zinc/98/93/82/705989382.db2.gz ZIALTXXDBRBEKX-RUXDESIVSA-N 2 1 333.436 1.120 20 0 EDADMP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)s1 ZINC000998721033 706147477 /nfs/dbraw/zinc/14/74/77/706147477.db2.gz KRAIBZBDCPRVCA-OLZOCXBDSA-N 2 1 337.493 1.275 20 0 EDADMP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)s1 ZINC000998721033 706147479 /nfs/dbraw/zinc/14/74/79/706147479.db2.gz KRAIBZBDCPRVCA-OLZOCXBDSA-N 2 1 337.493 1.275 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)s1 ZINC000998718537 706150313 /nfs/dbraw/zinc/15/03/13/706150313.db2.gz CHOHFNULHJYILF-CABCVRRESA-N 2 1 336.505 1.935 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998720050 706152490 /nfs/dbraw/zinc/15/24/90/706152490.db2.gz IAURXJAIICJPGV-LSDHHAIUSA-N 2 1 334.468 1.034 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998720050 706152493 /nfs/dbraw/zinc/15/24/93/706152493.db2.gz IAURXJAIICJPGV-LSDHHAIUSA-N 2 1 334.468 1.034 20 0 EDADMP CCCn1c(C)nnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998722648 706154241 /nfs/dbraw/zinc/15/42/41/706154241.db2.gz PHUAMJJARGBTKO-HZPDHXFCSA-N 2 1 348.495 1.171 20 0 EDADMP CCCn1c(C)nnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998722648 706154243 /nfs/dbraw/zinc/15/42/43/706154243.db2.gz PHUAMJJARGBTKO-HZPDHXFCSA-N 2 1 348.495 1.171 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)sc1C ZINC000998724448 706156493 /nfs/dbraw/zinc/15/64/93/706156493.db2.gz UEHPVZQFKRWMPC-HUUCEWRRSA-N 2 1 336.505 1.935 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC000998781858 706223039 /nfs/dbraw/zinc/22/30/39/706223039.db2.gz YFRBWGAVWQPLDU-NRXISQOPSA-N 2 1 347.463 1.053 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cc(C)n(C)n3)C2)CC[N@H+]1C ZINC000998792185 706239157 /nfs/dbraw/zinc/23/91/57/706239157.db2.gz VJISVMTVLBXDEA-DQVOVIAYSA-N 2 1 347.507 1.538 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC000998815696 706257381 /nfs/dbraw/zinc/25/73/81/706257381.db2.gz AIJCVDZCKVGYFE-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC000998815696 706257383 /nfs/dbraw/zinc/25/73/83/706257383.db2.gz AIJCVDZCKVGYFE-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnnn2CC)C1 ZINC000998865014 706294853 /nfs/dbraw/zinc/29/48/53/706294853.db2.gz DSEULTUZUVDPFK-VMBOVVBDSA-N 2 1 348.495 1.251 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)on2)C1 ZINC000998865776 706295557 /nfs/dbraw/zinc/29/55/57/706295557.db2.gz ICMPGSSAPFLMOO-PREGVCBESA-N 2 1 334.464 1.936 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)on2)C1 ZINC000998865776 706295559 /nfs/dbraw/zinc/29/55/59/706295559.db2.gz ICMPGSSAPFLMOO-PREGVCBESA-N 2 1 334.464 1.936 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(CC)no2)C1 ZINC000998868229 706297769 /nfs/dbraw/zinc/29/77/69/706297769.db2.gz VRHRVODHIDZZAL-NRXISQOPSA-N 2 1 349.479 1.585 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(CC)no2)C1 ZINC000998868229 706297772 /nfs/dbraw/zinc/29/77/72/706297772.db2.gz VRHRVODHIDZZAL-NRXISQOPSA-N 2 1 349.479 1.585 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000998900693 706323337 /nfs/dbraw/zinc/32/33/37/706323337.db2.gz GUAVFIAKWUIECF-PCKAHOCUSA-N 2 1 349.479 1.720 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000998900693 706323339 /nfs/dbraw/zinc/32/33/39/706323339.db2.gz GUAVFIAKWUIECF-PCKAHOCUSA-N 2 1 349.479 1.720 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCc4[nH+]ccn43)C2)on1 ZINC000998902105 706339166 /nfs/dbraw/zinc/33/91/66/706339166.db2.gz SNKHHEBKZDHJNK-ZBCRRDGASA-N 2 1 343.431 1.836 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC(NCc2nnc(C3CC3)o2)C1 ZINC000998995428 706412785 /nfs/dbraw/zinc/41/27/85/706412785.db2.gz SDFHBITXCITNCY-YMAMQOFZSA-N 2 1 347.463 1.510 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000998995428 706412790 /nfs/dbraw/zinc/41/27/90/706412790.db2.gz SDFHBITXCITNCY-YMAMQOFZSA-N 2 1 347.463 1.510 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC000999142922 706556056 /nfs/dbraw/zinc/55/60/56/706556056.db2.gz DIGAKHJWXVCPJU-ZFWWWQNUSA-N 2 1 337.493 1.492 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nccn3C)C2)C1 ZINC000999346839 706858626 /nfs/dbraw/zinc/85/86/26/706858626.db2.gz GMCQSELRVZMKEI-DLBZAZTESA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ncccn1 ZINC000999373196 706867839 /nfs/dbraw/zinc/86/78/39/706867839.db2.gz GRZZFGSGDTWNBU-GJZGRUSLSA-N 2 1 331.464 1.603 20 0 EDADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ncccn1 ZINC000999373196 706867840 /nfs/dbraw/zinc/86/78/40/706867840.db2.gz GRZZFGSGDTWNBU-GJZGRUSLSA-N 2 1 331.464 1.603 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)s1 ZINC000999375905 706870016 /nfs/dbraw/zinc/87/00/16/706870016.db2.gz TYGDXEURXLVMFF-HIFRSBDPSA-N 2 1 337.493 1.267 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999369723 706883265 /nfs/dbraw/zinc/88/32/65/706883265.db2.gz KJQYJCXVVBOAAQ-RDJZCZTQSA-N 2 1 348.495 1.027 20 0 EDADMP CCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999399167 706893794 /nfs/dbraw/zinc/89/37/94/706893794.db2.gz FLNCZXYBEYBUNS-CVEARBPZSA-N 2 1 348.495 1.253 20 0 EDADMP CCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999399167 706893797 /nfs/dbraw/zinc/89/37/97/706893797.db2.gz FLNCZXYBEYBUNS-CVEARBPZSA-N 2 1 348.495 1.253 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC(NCc2csnn2)C1 ZINC000999404649 706913545 /nfs/dbraw/zinc/91/35/45/706913545.db2.gz XAQMDWZOWMFZKO-UHFFFAOYSA-N 2 1 337.493 1.349 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2csnn2)C1 ZINC000999404649 706913552 /nfs/dbraw/zinc/91/35/52/706913552.db2.gz XAQMDWZOWMFZKO-UHFFFAOYSA-N 2 1 337.493 1.349 20 0 EDADMP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC000999405732 706914825 /nfs/dbraw/zinc/91/48/25/706914825.db2.gz GXJRJDOMDZJMQL-FAEJEUNOSA-N 2 1 330.476 1.953 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)c(C)o1 ZINC000999407363 706917169 /nfs/dbraw/zinc/91/71/69/706917169.db2.gz UNKCFLZIHUCRGW-JQRITLKVSA-N 2 1 334.464 1.855 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(CO)cc3)C2)C1 ZINC000999409754 706919637 /nfs/dbraw/zinc/91/96/37/706919637.db2.gz SJPHYCOLEAKFEH-MNNVXMFVSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]CCC3CCOCC3)C2)C1 ZINC000999409842 706919779 /nfs/dbraw/zinc/91/97/79/706919779.db2.gz TZZXMJZXCNYFMP-ZLPCBKJTSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999496756 706994466 /nfs/dbraw/zinc/99/44/66/706994466.db2.gz OYDHJXDYZSBPQM-BHIYHBOVSA-N 2 1 345.487 1.795 20 0 EDADMP Cc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999496756 706994472 /nfs/dbraw/zinc/99/44/72/706994472.db2.gz OYDHJXDYZSBPQM-BHIYHBOVSA-N 2 1 345.487 1.795 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1C ZINC000999515130 707014179 /nfs/dbraw/zinc/01/41/79/707014179.db2.gz XJRLFFDCDQAKIP-RDJZCZTQSA-N 2 1 333.480 1.293 20 0 EDADMP O=C(N1CCC[C@@H]([NH2+]Cc2cscn2)C1)C12CCC[NH+]1CCC2 ZINC000999598497 707101125 /nfs/dbraw/zinc/10/11/25/707101125.db2.gz UWYRNTNFCGOZCY-CQSZACIVSA-N 2 1 334.489 1.852 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921685833 707111047 /nfs/dbraw/zinc/11/10/47/707111047.db2.gz AESRZDSFNAKDKR-UHFFFAOYSA-N 2 1 344.301 1.535 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000999681456 707166621 /nfs/dbraw/zinc/16/66/21/707166621.db2.gz GTEQLDXQYBEXBM-NFOMZHRRSA-N 2 1 349.479 1.614 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999681456 707166624 /nfs/dbraw/zinc/16/66/24/707166624.db2.gz GTEQLDXQYBEXBM-NFOMZHRRSA-N 2 1 349.479 1.614 20 0 EDADMP CCn1nnc(C)c1C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999681930 707167319 /nfs/dbraw/zinc/16/73/19/707167319.db2.gz LCJOAZUZIWPAIP-FHERZECASA-N 2 1 348.495 1.027 20 0 EDADMP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000999682628 707168343 /nfs/dbraw/zinc/16/83/43/707168343.db2.gz QVPVZTPSDRQCDY-UQPPLGOBSA-N 2 1 346.475 1.511 20 0 EDADMP CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC000999723653 707264171 /nfs/dbraw/zinc/26/41/71/707264171.db2.gz GTAVBHMUAYXWOH-KRWDZBQOSA-N 2 1 344.463 1.231 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2oc(C)nc2C)C1 ZINC000999728714 707271699 /nfs/dbraw/zinc/27/16/99/707271699.db2.gz STESTXMFFWCQEN-OAHLLOKOSA-N 2 1 331.420 1.577 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001033265825 707290844 /nfs/dbraw/zinc/29/08/44/707290844.db2.gz KFUCKIXBGFUXSY-IRXDYDNUSA-N 2 1 334.464 1.683 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001033265825 707290847 /nfs/dbraw/zinc/29/08/47/707290847.db2.gz KFUCKIXBGFUXSY-IRXDYDNUSA-N 2 1 334.464 1.683 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cnccn2)C1 ZINC000999706477 707297422 /nfs/dbraw/zinc/29/74/22/707297422.db2.gz AONTVSZBKRYJCG-CABCVRRESA-N 2 1 328.420 1.323 20 0 EDADMP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033270212 707319686 /nfs/dbraw/zinc/31/96/86/707319686.db2.gz ZHWNWTAYJDBTRR-GJZGRUSLSA-N 2 1 334.464 1.330 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033270212 707319688 /nfs/dbraw/zinc/31/96/88/707319688.db2.gz ZHWNWTAYJDBTRR-GJZGRUSLSA-N 2 1 334.464 1.330 20 0 EDADMP Cc1cc(N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)nc(C)[nH+]1 ZINC001061630541 707398478 /nfs/dbraw/zinc/39/84/78/707398478.db2.gz XDEXPZQOOBKMJZ-OAHLLOKOSA-N 2 1 329.448 1.132 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213537 707708964 /nfs/dbraw/zinc/70/89/64/707708964.db2.gz KVUREZIUKASZHF-BBRMVZONSA-N 2 1 330.432 1.824 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2(C3CC[NH+](C[C@@H](C)O)CC3)CC2)CC[N@H+]1C ZINC001000156529 707771549 /nfs/dbraw/zinc/77/15/49/707771549.db2.gz FQVUTMSZXLZUQF-HYVNUMGLSA-N 2 1 337.508 1.458 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)ccn1 ZINC001033420128 707829988 /nfs/dbraw/zinc/82/99/88/707829988.db2.gz MHAWZZRFGOVCIR-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)ccn1 ZINC001033420128 707829990 /nfs/dbraw/zinc/82/99/90/707829990.db2.gz MHAWZZRFGOVCIR-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)ccn1 ZINC001033420128 707829992 /nfs/dbraw/zinc/82/99/92/707829992.db2.gz MHAWZZRFGOVCIR-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)ccn1 ZINC001033420128 707829995 /nfs/dbraw/zinc/82/99/95/707829995.db2.gz MHAWZZRFGOVCIR-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP Cc1noc(CCC[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001033420352 707831147 /nfs/dbraw/zinc/83/11/47/707831147.db2.gz OFSNXSXSJRYXKT-GDBMZVCRSA-N 2 1 349.479 1.185 20 0 EDADMP Cc1noc(CCC[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)n1 ZINC001033420352 707831149 /nfs/dbraw/zinc/83/11/49/707831149.db2.gz OFSNXSXSJRYXKT-GDBMZVCRSA-N 2 1 349.479 1.185 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)n1 ZINC001033420352 707831153 /nfs/dbraw/zinc/83/11/53/707831153.db2.gz OFSNXSXSJRYXKT-GDBMZVCRSA-N 2 1 349.479 1.185 20 0 EDADMP Cc1ncoc1CN[C@@H](C)[C@H]1CCCCN1C(=O)Cc1cncn1C ZINC001004984506 707831761 /nfs/dbraw/zinc/83/17/61/707831761.db2.gz WPXUVHQMIANWJA-XJKSGUPXSA-N 2 1 345.447 1.818 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420745 707832211 /nfs/dbraw/zinc/83/22/11/707832211.db2.gz SIYMQTLGGXGXCO-HIFRSBDPSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033420745 707832214 /nfs/dbraw/zinc/83/22/14/707832214.db2.gz SIYMQTLGGXGXCO-HIFRSBDPSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420745 707832218 /nfs/dbraw/zinc/83/22/18/707832218.db2.gz SIYMQTLGGXGXCO-HIFRSBDPSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420745 707832221 /nfs/dbraw/zinc/83/22/21/707832221.db2.gz SIYMQTLGGXGXCO-HIFRSBDPSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1nc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)co1 ZINC001004981081 707858748 /nfs/dbraw/zinc/85/87/48/707858748.db2.gz LVWZXSFDHQZQLQ-PBHICJAKSA-N 2 1 346.475 1.938 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc2c(c1)CCC2 ZINC001038094058 707949048 /nfs/dbraw/zinc/94/90/48/707949048.db2.gz AREDCLWWHLVUCA-RTBURBONSA-N 2 1 327.472 1.960 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc2c(c1)CCC2 ZINC001038094058 707949051 /nfs/dbraw/zinc/94/90/51/707949051.db2.gz AREDCLWWHLVUCA-RTBURBONSA-N 2 1 327.472 1.960 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC001038094058 707949055 /nfs/dbraw/zinc/94/90/55/707949055.db2.gz AREDCLWWHLVUCA-RTBURBONSA-N 2 1 327.472 1.960 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC001038094058 707949059 /nfs/dbraw/zinc/94/90/59/707949059.db2.gz AREDCLWWHLVUCA-RTBURBONSA-N 2 1 327.472 1.960 20 0 EDADMP CCc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001032780972 707966219 /nfs/dbraw/zinc/96/62/19/707966219.db2.gz FQHFRNAVAHDUHH-FHWLQOOXSA-N 2 1 327.472 1.986 20 0 EDADMP CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC001032780972 707966221 /nfs/dbraw/zinc/96/62/21/707966221.db2.gz FQHFRNAVAHDUHH-FHWLQOOXSA-N 2 1 327.472 1.986 20 0 EDADMP CCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC001032780972 707966222 /nfs/dbraw/zinc/96/62/22/707966222.db2.gz FQHFRNAVAHDUHH-FHWLQOOXSA-N 2 1 327.472 1.986 20 0 EDADMP CCc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001032780972 707966224 /nfs/dbraw/zinc/96/62/24/707966224.db2.gz FQHFRNAVAHDUHH-FHWLQOOXSA-N 2 1 327.472 1.986 20 0 EDADMP CCc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001032780972 707966226 /nfs/dbraw/zinc/96/62/26/707966226.db2.gz FQHFRNAVAHDUHH-FHWLQOOXSA-N 2 1 327.472 1.986 20 0 EDADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033505310 707973668 /nfs/dbraw/zinc/97/36/68/707973668.db2.gz QFAKHGDNPPYXKR-MJGOQNOKSA-N 2 1 345.487 1.931 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCCCC2)C1 ZINC001032792482 708038751 /nfs/dbraw/zinc/03/87/51/708038751.db2.gz CUVWRTWEPVRJFD-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCCCC2)C1 ZINC001032792482 708038753 /nfs/dbraw/zinc/03/87/53/708038753.db2.gz CUVWRTWEPVRJFD-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCCC2)C1 ZINC001032792482 708038754 /nfs/dbraw/zinc/03/87/54/708038754.db2.gz CUVWRTWEPVRJFD-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCCCC2)C1 ZINC001032792482 708038756 /nfs/dbraw/zinc/03/87/56/708038756.db2.gz CUVWRTWEPVRJFD-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](NCc2ncc(C)cn2)C1 ZINC001001007320 708081858 /nfs/dbraw/zinc/08/18/58/708081858.db2.gz ILFHVVKPBVONCB-IAGOWNOFSA-N 2 1 345.491 1.740 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC001001007320 708081862 /nfs/dbraw/zinc/08/18/62/708081862.db2.gz ILFHVVKPBVONCB-IAGOWNOFSA-N 2 1 345.491 1.740 20 0 EDADMP COc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)on1 ZINC001005185440 708113248 /nfs/dbraw/zinc/11/32/48/708113248.db2.gz RDWONYIOXDCDCP-HNNXBMFYSA-N 2 1 336.436 1.200 20 0 EDADMP COc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)on1 ZINC001005185440 708113250 /nfs/dbraw/zinc/11/32/50/708113250.db2.gz RDWONYIOXDCDCP-HNNXBMFYSA-N 2 1 336.436 1.200 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001401198 708137924 /nfs/dbraw/zinc/13/79/24/708137924.db2.gz CKIRXUHFUZEJMH-DOTOQJQBSA-N 2 1 325.497 1.722 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCO)C1 ZINC001033576109 708251031 /nfs/dbraw/zinc/25/10/31/708251031.db2.gz TZBLKILFUPZBFM-SJORKVTESA-N 2 1 325.497 1.556 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033576109 708251033 /nfs/dbraw/zinc/25/10/33/708251033.db2.gz TZBLKILFUPZBFM-SJORKVTESA-N 2 1 325.497 1.556 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033576109 708251036 /nfs/dbraw/zinc/25/10/36/708251036.db2.gz TZBLKILFUPZBFM-SJORKVTESA-N 2 1 325.497 1.556 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC[NH+](CCCO)CC2)C1 ZINC001001739001 708254026 /nfs/dbraw/zinc/25/40/26/708254026.db2.gz PTNRJPXYPYIFQT-QGZVFWFLSA-N 2 1 325.497 1.319 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580651 708261920 /nfs/dbraw/zinc/26/19/20/708261920.db2.gz GJLRMYCDVYMCRT-GDBMZVCRSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580651 708261921 /nfs/dbraw/zinc/26/19/21/708261921.db2.gz GJLRMYCDVYMCRT-GDBMZVCRSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033580651 708261923 /nfs/dbraw/zinc/26/19/23/708261923.db2.gz GJLRMYCDVYMCRT-GDBMZVCRSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033580651 708261925 /nfs/dbraw/zinc/26/19/25/708261925.db2.gz GJLRMYCDVYMCRT-GDBMZVCRSA-N 2 1 334.464 1.612 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001033592368 708290711 /nfs/dbraw/zinc/29/07/11/708290711.db2.gz GBBBRJPONNZYDO-HZPDHXFCSA-N 2 1 335.492 1.430 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001033667087 708453712 /nfs/dbraw/zinc/45/37/12/708453712.db2.gz FELCUXBTSDBYNA-GOSISDBHSA-N 2 1 348.491 1.931 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC001033667087 708453713 /nfs/dbraw/zinc/45/37/13/708453713.db2.gz FELCUXBTSDBYNA-GOSISDBHSA-N 2 1 348.491 1.931 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033687214 708502774 /nfs/dbraw/zinc/50/27/74/708502774.db2.gz ZSAYHGYWNKOSFD-DOTOQJQBSA-N 2 1 333.476 1.929 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001002120162 708633541 /nfs/dbraw/zinc/63/35/41/708633541.db2.gz HEQMUJQCKPMRPE-MSOLQXFVSA-N 2 1 337.508 1.726 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033777394 708704930 /nfs/dbraw/zinc/70/49/30/708704930.db2.gz VIUKANMIXMTHLG-RBUKOAKNSA-N 2 1 345.487 1.696 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033777394 708704932 /nfs/dbraw/zinc/70/49/32/708704932.db2.gz VIUKANMIXMTHLG-RBUKOAKNSA-N 2 1 345.487 1.696 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033777394 708704935 /nfs/dbraw/zinc/70/49/35/708704935.db2.gz VIUKANMIXMTHLG-RBUKOAKNSA-N 2 1 345.487 1.696 20 0 EDADMP CCN1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(OC)c3)C2)C1 ZINC001016307038 708975814 /nfs/dbraw/zinc/97/58/14/708975814.db2.gz RXBKWIVIHZUGJY-SJLPKXTDSA-N 2 1 347.459 1.106 20 0 EDADMP CCN1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3cccc(OC)c3)C2)C1 ZINC001016307038 708975816 /nfs/dbraw/zinc/97/58/16/708975816.db2.gz RXBKWIVIHZUGJY-SJLPKXTDSA-N 2 1 347.459 1.106 20 0 EDADMP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033884014 708985982 /nfs/dbraw/zinc/98/59/82/708985982.db2.gz WGNWHOFQEBYFSH-RDJZCZTQSA-N 2 1 342.443 1.907 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033906358 709036356 /nfs/dbraw/zinc/03/63/56/709036356.db2.gz OCWBLVWAQBQGDN-AGYKMIKPSA-N 2 1 349.519 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001033906358 709036360 /nfs/dbraw/zinc/03/63/60/709036360.db2.gz OCWBLVWAQBQGDN-AGYKMIKPSA-N 2 1 349.519 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001033906358 709036364 /nfs/dbraw/zinc/03/63/64/709036364.db2.gz OCWBLVWAQBQGDN-AGYKMIKPSA-N 2 1 349.519 1.819 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001033941576 709148245 /nfs/dbraw/zinc/14/82/45/709148245.db2.gz QBDUMXYRXMABDA-SFHVURJKSA-N 2 1 347.507 1.227 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001033941668 709148248 /nfs/dbraw/zinc/14/82/48/709148248.db2.gz RQMSWXLHGDWFKE-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC001034018437 709235716 /nfs/dbraw/zinc/23/57/16/709235716.db2.gz ZHPFWTWOSORVCI-ROUUACIJSA-N 2 1 349.519 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2oc(C)nc2C)C1 ZINC001034039319 709272360 /nfs/dbraw/zinc/27/23/60/709272360.db2.gz HQYYEBPFLWCLSQ-CVEARBPZSA-N 2 1 334.464 1.666 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2oc(C)nc2C)C1 ZINC001034039319 709272361 /nfs/dbraw/zinc/27/23/61/709272361.db2.gz HQYYEBPFLWCLSQ-CVEARBPZSA-N 2 1 334.464 1.666 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2oc(C)nc2C)C1 ZINC001034039319 709272362 /nfs/dbraw/zinc/27/23/62/709272362.db2.gz HQYYEBPFLWCLSQ-CVEARBPZSA-N 2 1 334.464 1.666 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001034039553 709272564 /nfs/dbraw/zinc/27/25/64/709272564.db2.gz KCXMGPGFGUEINX-CABCVRRESA-N 2 1 329.435 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001034039553 709272567 /nfs/dbraw/zinc/27/25/67/709272567.db2.gz KCXMGPGFGUEINX-CABCVRRESA-N 2 1 329.435 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001034039553 709272570 /nfs/dbraw/zinc/27/25/70/709272570.db2.gz KCXMGPGFGUEINX-CABCVRRESA-N 2 1 329.435 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001034042340 709292568 /nfs/dbraw/zinc/29/25/68/709292568.db2.gz NMTUDLLJOXVPOB-RHSMWYFYSA-N 2 1 334.439 1.595 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001034042340 709292571 /nfs/dbraw/zinc/29/25/71/709292571.db2.gz NMTUDLLJOXVPOB-RHSMWYFYSA-N 2 1 334.439 1.595 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001034042340 709292573 /nfs/dbraw/zinc/29/25/73/709292573.db2.gz NMTUDLLJOXVPOB-RHSMWYFYSA-N 2 1 334.439 1.595 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001034042340 709292576 /nfs/dbraw/zinc/29/25/76/709292576.db2.gz NMTUDLLJOXVPOB-RHSMWYFYSA-N 2 1 334.439 1.595 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002802214 709416866 /nfs/dbraw/zinc/41/68/66/709416866.db2.gz LQUMTLATQSEEHW-YJBOKZPZSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002802214 709416869 /nfs/dbraw/zinc/41/68/69/709416869.db2.gz LQUMTLATQSEEHW-YJBOKZPZSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1oncc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002811703 709417529 /nfs/dbraw/zinc/41/75/29/709417529.db2.gz QQUFCTIYIJAZBH-CRAIPNDOSA-N 2 1 346.475 1.938 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001034149321 709420620 /nfs/dbraw/zinc/42/06/20/709420620.db2.gz VQXOOJIFCRKOHG-QZTJIDSGSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001034149321 709420621 /nfs/dbraw/zinc/42/06/21/709420621.db2.gz VQXOOJIFCRKOHG-QZTJIDSGSA-N 2 1 349.519 1.868 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CC4(CCC4)C3)C2)C1 ZINC001034149321 709420623 /nfs/dbraw/zinc/42/06/23/709420623.db2.gz VQXOOJIFCRKOHG-QZTJIDSGSA-N 2 1 349.519 1.868 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CC4(CCC4)C3)C2)C1 ZINC001034149321 709420625 /nfs/dbraw/zinc/42/06/25/709420625.db2.gz VQXOOJIFCRKOHG-QZTJIDSGSA-N 2 1 349.519 1.868 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002833060 709443503 /nfs/dbraw/zinc/44/35/03/709443503.db2.gz NVQXXSKVZDYHEC-YOEHRIQHSA-N 2 1 343.475 1.460 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034204972 709527447 /nfs/dbraw/zinc/52/74/47/709527447.db2.gz RSJQPGNVSUDZCP-AEFFLSMTSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034204972 709527450 /nfs/dbraw/zinc/52/74/50/709527450.db2.gz RSJQPGNVSUDZCP-AEFFLSMTSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccnn2C)C1 ZINC001034204972 709527455 /nfs/dbraw/zinc/52/74/55/709527455.db2.gz RSJQPGNVSUDZCP-AEFFLSMTSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccnn2C)C1 ZINC001034204972 709527458 /nfs/dbraw/zinc/52/74/58/709527458.db2.gz RSJQPGNVSUDZCP-AEFFLSMTSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034209690 709559497 /nfs/dbraw/zinc/55/94/97/709559497.db2.gz LAFVAIKGXJKLPR-QGZVFWFLSA-N 2 1 347.507 1.995 20 0 EDADMP COC[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034257528 709642275 /nfs/dbraw/zinc/64/22/75/709642275.db2.gz KIARMJLJOOGJJI-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC001002955405 709657106 /nfs/dbraw/zinc/65/71/06/709657106.db2.gz NITQKRWPBGAQMB-MAUKXSAKSA-N 2 1 345.491 1.993 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC001002955405 709657109 /nfs/dbraw/zinc/65/71/09/709657109.db2.gz NITQKRWPBGAQMB-MAUKXSAKSA-N 2 1 345.491 1.993 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCOCC2)C1 ZINC001034270980 709676601 /nfs/dbraw/zinc/67/66/01/709676601.db2.gz KPSHMMLPXUPZAT-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCOCC2)C1 ZINC001034270980 709676604 /nfs/dbraw/zinc/67/66/04/709676604.db2.gz KPSHMMLPXUPZAT-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC001034270980 709676606 /nfs/dbraw/zinc/67/66/06/709676606.db2.gz KPSHMMLPXUPZAT-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCOCC2)C1 ZINC001034270980 709676608 /nfs/dbraw/zinc/67/66/08/709676608.db2.gz KPSHMMLPXUPZAT-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003011181 709783248 /nfs/dbraw/zinc/78/32/48/709783248.db2.gz NBBBVTNKBKBKGN-RDJZCZTQSA-N 2 1 325.497 1.865 20 0 EDADMP CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340534 709804323 /nfs/dbraw/zinc/80/43/23/709804323.db2.gz QRQMOXBYLQJYGO-CABCVRRESA-N 2 1 338.496 1.095 20 0 EDADMP CC[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340534 709804327 /nfs/dbraw/zinc/80/43/27/709804327.db2.gz QRQMOXBYLQJYGO-CABCVRRESA-N 2 1 338.496 1.095 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)CC1 ZINC001034474424 710079665 /nfs/dbraw/zinc/07/96/65/710079665.db2.gz KSZMUTPGEWMZFW-KRWDZBQOSA-N 2 1 325.497 1.460 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](Cc2ccc(F)cn2)C1)C12CC[NH+](CC1)C2 ZINC001034485943 710132266 /nfs/dbraw/zinc/13/22/66/710132266.db2.gz HRGZZWZWMLCRLF-QGZVFWFLSA-N 2 1 346.450 1.787 20 0 EDADMP O=C(N[C@@H]1CCCC[N@H+](Cc2ccc(F)cn2)C1)C12CC[NH+](CC1)C2 ZINC001034485943 710132269 /nfs/dbraw/zinc/13/22/69/710132269.db2.gz HRGZZWZWMLCRLF-QGZVFWFLSA-N 2 1 346.450 1.787 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnnn2C)CC1 ZINC001003231791 710154031 /nfs/dbraw/zinc/15/40/31/710154031.db2.gz ZUUZMRDKDYECMZ-QGZVFWFLSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnnn2C)CC1 ZINC001003231791 710154033 /nfs/dbraw/zinc/15/40/33/710154033.db2.gz ZUUZMRDKDYECMZ-QGZVFWFLSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1noc(CCC[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525690 710176225 /nfs/dbraw/zinc/17/62/25/710176225.db2.gz OUHWFFKKHHBDSZ-JKSUJKDBSA-N 2 1 349.479 1.233 20 0 EDADMP Cc1noc(CCC[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034525690 710176226 /nfs/dbraw/zinc/17/62/26/710176226.db2.gz OUHWFFKKHHBDSZ-JKSUJKDBSA-N 2 1 349.479 1.233 20 0 EDADMP Cc1noc(CCC[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034525690 710176228 /nfs/dbraw/zinc/17/62/28/710176228.db2.gz OUHWFFKKHHBDSZ-JKSUJKDBSA-N 2 1 349.479 1.233 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC001034607071 710270293 /nfs/dbraw/zinc/27/02/93/710270293.db2.gz KELBNMXVFLZXRZ-KBUPBQIOSA-N 2 1 348.495 1.539 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001034607393 710270922 /nfs/dbraw/zinc/27/09/22/710270922.db2.gz NOJCWVHICVFIJV-NGFQHRJXSA-N 2 1 335.452 1.550 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001034607393 710270925 /nfs/dbraw/zinc/27/09/25/710270925.db2.gz NOJCWVHICVFIJV-NGFQHRJXSA-N 2 1 335.452 1.550 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC001032838335 710279086 /nfs/dbraw/zinc/27/90/86/710279086.db2.gz LAVHDCYDHQYVRA-FGTMMUONSA-N 2 1 349.450 1.014 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC001032838335 710279088 /nfs/dbraw/zinc/27/90/88/710279088.db2.gz LAVHDCYDHQYVRA-FGTMMUONSA-N 2 1 349.450 1.014 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC001032838335 710279091 /nfs/dbraw/zinc/27/90/91/710279091.db2.gz LAVHDCYDHQYVRA-FGTMMUONSA-N 2 1 349.450 1.014 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003547904 710414057 /nfs/dbraw/zinc/41/40/57/710414057.db2.gz OSABTVBWRUKCOB-UHFFFAOYSA-N 2 1 337.493 1.269 20 0 EDADMP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@H]1CCCc2[nH]cnc21 ZINC001003604921 710445489 /nfs/dbraw/zinc/44/54/89/710445489.db2.gz BZFSNDYZPBYYKW-INIZCTEOSA-N 2 1 346.475 1.837 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)sn1 ZINC001003634820 710462493 /nfs/dbraw/zinc/46/24/93/710462493.db2.gz MORUDDQOWQDPGN-WBMJQRKESA-N 2 1 336.505 1.730 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)sn1 ZINC001003634820 710462495 /nfs/dbraw/zinc/46/24/95/710462495.db2.gz MORUDDQOWQDPGN-WBMJQRKESA-N 2 1 336.505 1.730 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001034659696 710589125 /nfs/dbraw/zinc/58/91/25/710589125.db2.gz XZVXLYKYYGYHLI-BRWVUGGUSA-N 2 1 348.495 1.170 20 0 EDADMP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1)C(N)=O ZINC001034661418 710592666 /nfs/dbraw/zinc/59/26/66/710592666.db2.gz OLAQPVKPZSDZDJ-ZQDZILKHSA-N 2 1 347.463 1.041 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1 ZINC001034674805 710625163 /nfs/dbraw/zinc/62/51/63/710625163.db2.gz SERNLLQCJSZMQI-UMVBOHGHSA-N 2 1 337.493 1.539 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1 ZINC001034674805 710625168 /nfs/dbraw/zinc/62/51/68/710625168.db2.gz SERNLLQCJSZMQI-UMVBOHGHSA-N 2 1 337.493 1.539 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001034675606 710631439 /nfs/dbraw/zinc/63/14/39/710631439.db2.gz QSDGTXODJADQQZ-OTRWWLKZSA-N 2 1 347.463 1.604 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034692337 710780612 /nfs/dbraw/zinc/78/06/12/710780612.db2.gz HBBHGHHDSDYLEV-JOCQHMNTSA-N 2 1 334.449 1.260 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cncn3C)CC2)CC1 ZINC001003892760 710838812 /nfs/dbraw/zinc/83/88/12/710838812.db2.gz TYNUFOGOAPAAIO-UHFFFAOYSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC001034735366 710919929 /nfs/dbraw/zinc/91/99/29/710919929.db2.gz GAPAOXHCEVLRFF-BPLDGKMQSA-N 2 1 335.452 1.379 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC001034735366 710919933 /nfs/dbraw/zinc/91/99/33/710919933.db2.gz GAPAOXHCEVLRFF-BPLDGKMQSA-N 2 1 335.452 1.379 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)nn1C ZINC001034735721 710921980 /nfs/dbraw/zinc/92/19/80/710921980.db2.gz MXXLIZBDCOEPDN-XIRDDKMYSA-N 2 1 347.507 1.730 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034737841 710950902 /nfs/dbraw/zinc/95/09/02/710950902.db2.gz NVNKJNHXCATIKU-KCYZZUKISA-N 2 1 333.480 1.135 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1 ZINC001034738593 710954234 /nfs/dbraw/zinc/95/42/34/710954234.db2.gz ULEGIPCXSWYNRA-ZQDZILKHSA-N 2 1 336.505 1.858 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001003968643 711140683 /nfs/dbraw/zinc/14/06/83/711140683.db2.gz SIXHGKSAXXFQSP-RDJZCZTQSA-N 2 1 347.507 1.621 20 0 EDADMP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001034881908 711282439 /nfs/dbraw/zinc/28/24/39/711282439.db2.gz PFPAJFSREMYZJM-AEFFLSMTSA-N 2 1 331.460 1.870 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC001034885264 711289418 /nfs/dbraw/zinc/28/94/18/711289418.db2.gz RNCSNAJGHOOVIJ-CVEARBPZSA-N 2 1 348.495 1.208 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC001034885264 711289421 /nfs/dbraw/zinc/28/94/21/711289421.db2.gz RNCSNAJGHOOVIJ-CVEARBPZSA-N 2 1 348.495 1.208 20 0 EDADMP CCCn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001034957812 711430309 /nfs/dbraw/zinc/43/03/09/711430309.db2.gz KGMQFBASZZCWRR-MRXNPFEDSA-N 2 1 348.495 1.253 20 0 EDADMP CCCn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001034957812 711430313 /nfs/dbraw/zinc/43/03/13/711430313.db2.gz KGMQFBASZZCWRR-MRXNPFEDSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1nonc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001034936735 711436924 /nfs/dbraw/zinc/43/69/24/711436924.db2.gz VBOPZQCZCBCDOT-GDBMZVCRSA-N 2 1 335.452 1.331 20 0 EDADMP Cc1nonc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001034936735 711436928 /nfs/dbraw/zinc/43/69/28/711436928.db2.gz VBOPZQCZCBCDOT-GDBMZVCRSA-N 2 1 335.452 1.331 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001034940431 711443903 /nfs/dbraw/zinc/44/39/03/711443903.db2.gz DGHISEARWSAFRQ-HZPDHXFCSA-N 2 1 332.448 1.405 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cn(C)nc2C)CC[N@H+]1C ZINC001034940640 711444417 /nfs/dbraw/zinc/44/44/17/711444417.db2.gz AKANCVRDVGPGAV-FGTMMUONSA-N 2 1 347.507 1.539 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccnn2C)CC[N@H+]1C ZINC001034941223 711445772 /nfs/dbraw/zinc/44/57/72/711445772.db2.gz MZWLWOTUYIEATI-IXDOHACOSA-N 2 1 333.480 1.231 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3c[nH]c(C(=O)OC)c3)C2)[C@H]1C(C)C ZINC000922395048 711451044 /nfs/dbraw/zinc/45/10/44/711451044.db2.gz UAZFHRHRSHUHTF-MTNOOBJLSA-N 2 1 349.475 1.761 20 0 EDADMP CCc1nn(C)cc1C[NH2+][C@@H]1C[C@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922395320 711451145 /nfs/dbraw/zinc/45/11/45/711451145.db2.gz VDBMNTDMTOIUHX-AKHDSKFASA-N 2 1 334.508 1.942 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)c1Cl)C2 ZINC000922391087 711455453 /nfs/dbraw/zinc/45/54/53/711455453.db2.gz RVFTYWZQAAYLSU-NYTXWWLZSA-N 2 1 326.872 1.643 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)c1Cl)C2 ZINC000922391084 711455506 /nfs/dbraw/zinc/45/55/06/711455506.db2.gz RVFTYWZQAAYLSU-HGTKMLMNSA-N 2 1 326.872 1.643 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000922411449 711486734 /nfs/dbraw/zinc/48/67/34/711486734.db2.gz AGLVYFNSMKHAMT-WBTNSWJXSA-N 2 1 348.495 1.195 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC[NH+]1C ZINC000922411449 711486737 /nfs/dbraw/zinc/48/67/37/711486737.db2.gz AGLVYFNSMKHAMT-WBTNSWJXSA-N 2 1 348.495 1.195 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC[NH+]1C ZINC000922411449 711486739 /nfs/dbraw/zinc/48/67/39/711486739.db2.gz AGLVYFNSMKHAMT-WBTNSWJXSA-N 2 1 348.495 1.195 20 0 EDADMP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623898 711925301 /nfs/dbraw/zinc/92/53/01/711925301.db2.gz SPEFSIHQFRASPF-IXDOHACOSA-N 2 1 346.475 1.577 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623898 711925303 /nfs/dbraw/zinc/92/53/03/711925303.db2.gz SPEFSIHQFRASPF-IXDOHACOSA-N 2 1 346.475 1.577 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C1CCOCC1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033140776 711940296 /nfs/dbraw/zinc/94/02/96/711940296.db2.gz JIRJINQFPPSTPL-ZWKOTPCHSA-N 2 1 335.492 1.573 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033140776 711940300 /nfs/dbraw/zinc/94/03/00/711940300.db2.gz JIRJINQFPPSTPL-ZWKOTPCHSA-N 2 1 335.492 1.573 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCOCC1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033140776 711940302 /nfs/dbraw/zinc/94/03/02/711940302.db2.gz JIRJINQFPPSTPL-ZWKOTPCHSA-N 2 1 335.492 1.573 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CCC([C@@H]2CCC[N@H+]2C[C@H]2CCOC2)CC1 ZINC001004617510 712077575 /nfs/dbraw/zinc/07/75/75/712077575.db2.gz QVGJEVCHTXEVAQ-MJGOQNOKSA-N 2 1 349.519 1.822 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3Cc3ccon3)CC2)C1 ZINC001004618525 712079146 /nfs/dbraw/zinc/07/91/46/712079146.db2.gz XODAYUSYBQLTSN-SJLPKXTDSA-N 2 1 346.475 1.829 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3Cc3ccon3)CC2)C1 ZINC001004618525 712079149 /nfs/dbraw/zinc/07/91/49/712079149.db2.gz XODAYUSYBQLTSN-SJLPKXTDSA-N 2 1 346.475 1.829 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3Cc3ccon3)CC2)C1 ZINC001004618525 712079151 /nfs/dbraw/zinc/07/91/51/712079151.db2.gz XODAYUSYBQLTSN-SJLPKXTDSA-N 2 1 346.475 1.829 20 0 EDADMP CCN(C[C@H]1CCN(Cc2nc(C(C)(C)N)no2)C1)CC(F)(F)F ZINC000431068936 305074256 /nfs/dbraw/zinc/07/42/56/305074256.db2.gz DMTMNAMXJWKZKF-LLVKDONJSA-N 2 1 349.401 1.970 20 0 EDADMP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)C1 ZINC000344009554 297222967 /nfs/dbraw/zinc/22/29/67/297222967.db2.gz BAONBTUPUJLSDU-IAGOWNOFSA-N 2 1 326.529 1.306 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000343477859 282249096 /nfs/dbraw/zinc/24/90/96/282249096.db2.gz OZPOUWWTRWVTJR-MJGOQNOKSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000178671763 232363649 /nfs/dbraw/zinc/36/36/49/232363649.db2.gz YEYYSZYAOJXGCD-AWEZNQCLSA-N 2 1 333.432 1.273 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000436125041 539569702 /nfs/dbraw/zinc/56/97/02/539569702.db2.gz PABRBHMKIUODEE-GJZGRUSLSA-N 2 1 328.501 1.203 20 0 EDADMP Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000143326896 539570676 /nfs/dbraw/zinc/57/06/76/539570676.db2.gz VICBSWNHLZHQJL-GOSISDBHSA-N 2 1 327.428 1.952 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339068765 539700467 /nfs/dbraw/zinc/70/04/67/539700467.db2.gz MYQVMRGUUZKMJN-BPUTZDHNSA-N 2 1 337.489 1.872 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339068765 539700470 /nfs/dbraw/zinc/70/04/70/539700470.db2.gz MYQVMRGUUZKMJN-BPUTZDHNSA-N 2 1 337.489 1.872 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000151470185 539754347 /nfs/dbraw/zinc/75/43/47/539754347.db2.gz LODZVXWCESDEGI-OAGGEKHMSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000151470185 539754353 /nfs/dbraw/zinc/75/43/53/539754353.db2.gz LODZVXWCESDEGI-OAGGEKHMSA-N 2 1 326.485 1.125 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000412843204 304040290 /nfs/dbraw/zinc/04/02/90/304040290.db2.gz OTINHUJTBDPPPJ-ZWKOTPCHSA-N 2 1 330.476 1.186 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000412843204 304040293 /nfs/dbraw/zinc/04/02/93/304040293.db2.gz OTINHUJTBDPPPJ-ZWKOTPCHSA-N 2 1 330.476 1.186 20 0 EDADMP O=C(CCc1c[nH]cn1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000276546301 540061960 /nfs/dbraw/zinc/06/19/60/540061960.db2.gz GYCXJDAMUYYQOX-KRWDZBQOSA-N 2 1 328.416 1.225 20 0 EDADMP O=C(CCc1cnc[nH]1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000276546301 540061963 /nfs/dbraw/zinc/06/19/63/540061963.db2.gz GYCXJDAMUYYQOX-KRWDZBQOSA-N 2 1 328.416 1.225 20 0 EDADMP O=C(CCc1cnc[nH]1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000276546301 540061968 /nfs/dbraw/zinc/06/19/68/540061968.db2.gz GYCXJDAMUYYQOX-KRWDZBQOSA-N 2 1 328.416 1.225 20 0 EDADMP C[NH+]1CCN(c2ccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000166100289 540074894 /nfs/dbraw/zinc/07/48/94/540074894.db2.gz ZMPNDIIEKVMSMJ-ZWKOTPCHSA-N 2 1 329.492 1.550 20 0 EDADMP CCN(C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)CC)C1)CC(F)(F)F ZINC000563351373 306329260 /nfs/dbraw/zinc/32/92/60/306329260.db2.gz ZVDUWYGWIDGLDT-UONOGXRCSA-N 2 1 325.419 1.505 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1)CC(F)(F)F ZINC000563351373 306329261 /nfs/dbraw/zinc/32/92/61/306329261.db2.gz ZVDUWYGWIDGLDT-UONOGXRCSA-N 2 1 325.419 1.505 20 0 EDADMP CCN(C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)CC)C1)CC(F)(F)F ZINC000563351373 306329262 /nfs/dbraw/zinc/32/92/62/306329262.db2.gz ZVDUWYGWIDGLDT-UONOGXRCSA-N 2 1 325.419 1.505 20 0 EDADMP CCN(C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1)CC(F)(F)F ZINC000563351373 306329263 /nfs/dbraw/zinc/32/92/63/306329263.db2.gz ZVDUWYGWIDGLDT-UONOGXRCSA-N 2 1 325.419 1.505 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000130755261 291075873 /nfs/dbraw/zinc/07/58/73/291075873.db2.gz KDXRLILJDSBKAJ-WDYCEAGBSA-N 2 1 348.491 1.261 20 0 EDADMP CC[C@H](NC(=O)C[NH2+]C(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563450738 306334169 /nfs/dbraw/zinc/33/41/69/306334169.db2.gz HIDRPQVSBHIPCN-ROUUACIJSA-N 2 1 333.476 1.780 20 0 EDADMP CC[C@H](NC(=O)C[NH2+]C(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563450738 306334170 /nfs/dbraw/zinc/33/41/70/306334170.db2.gz HIDRPQVSBHIPCN-ROUUACIJSA-N 2 1 333.476 1.780 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000423785306 283160341 /nfs/dbraw/zinc/16/03/41/283160341.db2.gz RMHFMPNVWQLDKG-OALUTQOASA-N 2 1 327.472 1.931 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000074065412 138224465 /nfs/dbraw/zinc/22/44/65/138224465.db2.gz VGDFFQKXOOTJGB-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000074065412 138224466 /nfs/dbraw/zinc/22/44/66/138224466.db2.gz VGDFFQKXOOTJGB-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CC1CC[NH+](CCNC(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000079167707 138260719 /nfs/dbraw/zinc/26/07/19/138260719.db2.gz CWYMQZURWBOPBI-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081485160 138266707 /nfs/dbraw/zinc/26/67/07/138266707.db2.gz HSABFAPVWMSTMV-OALUTQOASA-N 2 1 345.487 1.688 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081485160 138266708 /nfs/dbraw/zinc/26/67/08/138266708.db2.gz HSABFAPVWMSTMV-OALUTQOASA-N 2 1 345.487 1.688 20 0 EDADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081485160 138266709 /nfs/dbraw/zinc/26/67/09/138266709.db2.gz HSABFAPVWMSTMV-OALUTQOASA-N 2 1 345.487 1.688 20 0 EDADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081485160 138266710 /nfs/dbraw/zinc/26/67/10/138266710.db2.gz HSABFAPVWMSTMV-OALUTQOASA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000092754263 138290264 /nfs/dbraw/zinc/29/02/64/138290264.db2.gz FWINSDFMBUBRGS-UHFFFAOYSA-N 2 1 345.491 1.415 20 0 EDADMP O=C(C[C@@H]1CCC[NH2+]1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000153288778 138493464 /nfs/dbraw/zinc/49/34/64/138493464.db2.gz LBDSROJWQPGJNQ-ZDUSSCGKSA-N 2 1 337.386 1.242 20 0 EDADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000637890194 452141016 /nfs/dbraw/zinc/14/10/16/452141016.db2.gz VUOBIXJVEJHPDI-UHFFFAOYSA-N 2 1 325.478 1.639 20 0 EDADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000637890194 452141022 /nfs/dbraw/zinc/14/10/22/452141022.db2.gz VUOBIXJVEJHPDI-UHFFFAOYSA-N 2 1 325.478 1.639 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CCO1 ZINC000565352547 306381987 /nfs/dbraw/zinc/38/19/87/306381987.db2.gz CAPOPVHDRPBEOA-MSOLQXFVSA-N 2 1 346.475 1.410 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000565616549 306387631 /nfs/dbraw/zinc/38/76/31/306387631.db2.gz ANWWCGWANGOKPJ-MRXNPFEDSA-N 2 1 325.497 1.602 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000565714700 306389613 /nfs/dbraw/zinc/38/96/13/306389613.db2.gz WHLRGTFRQMOWRM-JKSUJKDBSA-N 2 1 348.495 1.272 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000414693667 304128438 /nfs/dbraw/zinc/12/84/38/304128438.db2.gz FDBBPMJBDZRBCA-IAGOWNOFSA-N 2 1 344.459 1.478 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414702915 304129752 /nfs/dbraw/zinc/12/97/52/304129752.db2.gz LCEAMTURZGWBOX-AWEZNQCLSA-N 2 1 344.459 1.261 20 0 EDADMP CCc1ccc([C@@H]2CNCC[N@@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414731673 304134206 /nfs/dbraw/zinc/13/42/06/304134206.db2.gz HRSWKDRQRZUQGD-HKUYNNGSSA-N 2 1 344.503 1.393 20 0 EDADMP CCc1ccc([C@@H]2CNCC[N@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414731673 304134207 /nfs/dbraw/zinc/13/42/07/304134207.db2.gz HRSWKDRQRZUQGD-HKUYNNGSSA-N 2 1 344.503 1.393 20 0 EDADMP CCC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](CC)C(=O)OCC ZINC000414758624 304137541 /nfs/dbraw/zinc/13/75/41/304137541.db2.gz MVCFFTGARDGEMF-CABCVRRESA-N 2 1 327.469 1.237 20 0 EDADMP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000415007973 304149985 /nfs/dbraw/zinc/14/99/85/304149985.db2.gz VFHBMYDUVXGKRZ-GOEBONIOSA-N 2 1 339.430 1.958 20 0 EDADMP COc1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc(OC)c1O ZINC000415059958 304155638 /nfs/dbraw/zinc/15/56/38/304155638.db2.gz VPKUUGYBUVBHDD-UHFFFAOYSA-N 2 1 349.475 1.715 20 0 EDADMP CCS(=O)(=O)NCCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415079692 304158054 /nfs/dbraw/zinc/15/80/54/304158054.db2.gz KHTFPHXWZXPNOJ-HZPDHXFCSA-N 2 1 325.478 1.399 20 0 EDADMP COC(=O)c1cccc2c1CC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000415094352 304158920 /nfs/dbraw/zinc/15/89/20/304158920.db2.gz JUYPZJRPOSBWIH-AWEZNQCLSA-N 2 1 345.443 1.029 20 0 EDADMP C[C@H](Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[NH2+]C1 ZINC000415116780 304161465 /nfs/dbraw/zinc/16/14/65/304161465.db2.gz IERIYWBGZOYXBN-YQQAZPJKSA-N 2 1 330.476 1.794 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1csc(CC[NH3+])n1 ZINC000194835700 139001146 /nfs/dbraw/zinc/00/11/46/139001146.db2.gz FIHHWMNZCXSDRM-CQSZACIVSA-N 2 1 344.484 1.991 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1csc(CC[NH3+])n1 ZINC000194835700 139001147 /nfs/dbraw/zinc/00/11/47/139001147.db2.gz FIHHWMNZCXSDRM-CQSZACIVSA-N 2 1 344.484 1.991 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1csc(CC[NH3+])n1 ZINC000194835719 139001170 /nfs/dbraw/zinc/00/11/70/139001170.db2.gz FIHHWMNZCXSDRM-AWEZNQCLSA-N 2 1 344.484 1.991 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1csc(CC[NH3+])n1 ZINC000194835719 139001171 /nfs/dbraw/zinc/00/11/71/139001171.db2.gz FIHHWMNZCXSDRM-AWEZNQCLSA-N 2 1 344.484 1.991 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](C/C=C\c3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415142048 304163925 /nfs/dbraw/zinc/16/39/25/304163925.db2.gz QPCOYAUDTGUPKG-IXXMMVOQSA-N 2 1 340.471 1.920 20 0 EDADMP CCC[C@@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000236914197 139034944 /nfs/dbraw/zinc/03/49/44/139034944.db2.gz ITXYZNZZLYZRGF-HLLBOEOZSA-N 2 1 325.497 1.852 20 0 EDADMP CCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000236943263 139035879 /nfs/dbraw/zinc/03/58/79/139035879.db2.gz RBSVJLAFWACRIS-GOSISDBHSA-N 2 1 332.492 1.438 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000237043365 139039024 /nfs/dbraw/zinc/03/90/24/139039024.db2.gz ZFJDHDKXDPWNPA-CQSZACIVSA-N 2 1 336.505 1.643 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000237333395 139048249 /nfs/dbraw/zinc/04/82/49/139048249.db2.gz KMFUQVPJJUGFTQ-QAPCUYQASA-N 2 1 349.475 1.768 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000237333395 139048250 /nfs/dbraw/zinc/04/82/50/139048250.db2.gz KMFUQVPJJUGFTQ-QAPCUYQASA-N 2 1 349.475 1.768 20 0 EDADMP C[C@H](CNC(=O)c1csc(CN)n1)[N@H+]1CCc2ccccc2C1 ZINC000237495432 139052558 /nfs/dbraw/zinc/05/25/58/139052558.db2.gz ZUTUYEVBLGMQOV-GFCCVEGCSA-N 2 1 330.457 1.778 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccccn1 ZINC000080603658 217317955 /nfs/dbraw/zinc/31/79/55/217317955.db2.gz HQKYJSOULAMWDU-KRWDZBQOSA-N 2 1 333.480 1.639 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000237671177 139057627 /nfs/dbraw/zinc/05/76/27/139057627.db2.gz WVIKGPSOMPCWDF-YLJYHZDGSA-N 2 1 344.503 1.846 20 0 EDADMP C[C@@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000111631079 220172931 /nfs/dbraw/zinc/17/29/31/220172931.db2.gz HSWAAWSCBUDDMX-IRXDYDNUSA-N 2 1 332.492 1.259 20 0 EDADMP C[C@@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000111631079 220172934 /nfs/dbraw/zinc/17/29/34/220172934.db2.gz HSWAAWSCBUDDMX-IRXDYDNUSA-N 2 1 332.492 1.259 20 0 EDADMP [NH3+]C1CCC(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000237795470 139060641 /nfs/dbraw/zinc/06/06/41/139060641.db2.gz YOMLWOGQBOFVTL-ABHNRTSZSA-N 2 1 331.460 1.664 20 0 EDADMP [NH3+]C1CCC(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000237795470 139060642 /nfs/dbraw/zinc/06/06/42/139060642.db2.gz YOMLWOGQBOFVTL-ABHNRTSZSA-N 2 1 331.460 1.664 20 0 EDADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000247046843 139132875 /nfs/dbraw/zinc/13/28/75/139132875.db2.gz SFTRLYWMFSJTBZ-HOTGVXAUSA-N 2 1 336.480 1.515 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000247046843 139132876 /nfs/dbraw/zinc/13/28/76/139132876.db2.gz SFTRLYWMFSJTBZ-HOTGVXAUSA-N 2 1 336.480 1.515 20 0 EDADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000247046843 139132877 /nfs/dbraw/zinc/13/28/77/139132877.db2.gz SFTRLYWMFSJTBZ-HOTGVXAUSA-N 2 1 336.480 1.515 20 0 EDADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000247046843 139132878 /nfs/dbraw/zinc/13/28/78/139132878.db2.gz SFTRLYWMFSJTBZ-HOTGVXAUSA-N 2 1 336.480 1.515 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)ccc1Cl ZINC000415348587 304200206 /nfs/dbraw/zinc/20/02/06/304200206.db2.gz BNRWPAXNTVDDCS-LLVKDONJSA-N 2 1 338.839 1.147 20 0 EDADMP COC(=O)c1ccc(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247281999 139143591 /nfs/dbraw/zinc/14/35/91/139143591.db2.gz SVYGKQNKGAEFPP-DOTOQJQBSA-N 2 1 345.443 1.828 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000247593346 139152968 /nfs/dbraw/zinc/15/29/68/139152968.db2.gz NRSYJHPPVFQMRE-RTBURBONSA-N 2 1 347.503 1.528 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000247593346 139152969 /nfs/dbraw/zinc/15/29/69/139152969.db2.gz NRSYJHPPVFQMRE-RTBURBONSA-N 2 1 347.503 1.528 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000339944709 284717233 /nfs/dbraw/zinc/71/72/33/284717233.db2.gz KQFNHOYPDCXJEI-JKSUJKDBSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000248860333 139178084 /nfs/dbraw/zinc/17/80/84/139178084.db2.gz DBNAZVUVUYDTKR-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000352149671 250072668 /nfs/dbraw/zinc/07/26/68/250072668.db2.gz UPZKUJIHXVWEMU-JKSUJKDBSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCN2CCOC[C@H]2C)CC1 ZINC000249044470 139183865 /nfs/dbraw/zinc/18/38/65/139183865.db2.gz NKNFITXVQDEXHE-GBESFXJTSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000249044470 139183866 /nfs/dbraw/zinc/18/38/66/139183866.db2.gz NKNFITXVQDEXHE-GBESFXJTSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000249044470 139183867 /nfs/dbraw/zinc/18/38/67/139183867.db2.gz NKNFITXVQDEXHE-GBESFXJTSA-N 2 1 338.540 1.198 20 0 EDADMP C[N@H+](CC[C@@H]1CCOC1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249590049 139196181 /nfs/dbraw/zinc/19/61/81/139196181.db2.gz VCYSZEWDMNAYIN-MJGOQNOKSA-N 2 1 332.444 1.508 20 0 EDADMP C[N@@H+](CC[C@@H]1CCOC1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249590049 139196182 /nfs/dbraw/zinc/19/61/82/139196182.db2.gz VCYSZEWDMNAYIN-MJGOQNOKSA-N 2 1 332.444 1.508 20 0 EDADMP C[NH+](CC[C@@H]1CCOC1=O)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249590049 139196183 /nfs/dbraw/zinc/19/61/83/139196183.db2.gz VCYSZEWDMNAYIN-MJGOQNOKSA-N 2 1 332.444 1.508 20 0 EDADMP C[NH+](CC[C@@H]1CCOC1=O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249590049 139196184 /nfs/dbraw/zinc/19/61/84/139196184.db2.gz VCYSZEWDMNAYIN-MJGOQNOKSA-N 2 1 332.444 1.508 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[NH+](C)C ZINC000261621583 139211782 /nfs/dbraw/zinc/21/17/82/139211782.db2.gz CGDHTDKPUMULCE-DOTOQJQBSA-N 2 1 335.448 1.168 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2nccn2-c2ccccc2)C1 ZINC000261638504 139213455 /nfs/dbraw/zinc/21/34/55/139213455.db2.gz AAYNLBWGOYJTCF-OAHLLOKOSA-N 2 1 327.432 1.159 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000261638504 139213456 /nfs/dbraw/zinc/21/34/56/139213456.db2.gz AAYNLBWGOYJTCF-OAHLLOKOSA-N 2 1 327.432 1.159 20 0 EDADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262098213 139250796 /nfs/dbraw/zinc/25/07/96/139250796.db2.gz IEBIMUCBTVFSRG-CRAIPNDOSA-N 2 1 348.878 1.872 20 0 EDADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262124857 139252960 /nfs/dbraw/zinc/25/29/60/139252960.db2.gz MVSNCMAZPIRLJN-IBGZPJMESA-N 2 1 339.487 1.969 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H]1c1cccs1 ZINC000262147743 139255126 /nfs/dbraw/zinc/25/51/26/139255126.db2.gz XHUYUQUJEATAAC-HGTKMLMNSA-N 2 1 337.489 1.754 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000262214067 139260541 /nfs/dbraw/zinc/26/05/41/139260541.db2.gz IZWYKFQNIXXQAA-QAPCUYQASA-N 2 1 331.460 1.187 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000416873957 251113901 /nfs/dbraw/zinc/11/39/01/251113901.db2.gz OONUMXDTKPECKP-MSOLQXFVSA-N 2 1 330.476 1.759 20 0 EDADMP C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000416879214 251116400 /nfs/dbraw/zinc/11/64/00/251116400.db2.gz JRYUYFCUYGHYLK-MAUKXSAKSA-N 2 1 346.475 1.398 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416884094 251117163 /nfs/dbraw/zinc/11/71/63/251117163.db2.gz ORYMGFKPCCBRNG-GOSISDBHSA-N 2 1 346.475 1.412 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417015327 251132962 /nfs/dbraw/zinc/13/29/62/251132962.db2.gz FLSVQSIEFBYGQW-LJQANCHMSA-N 2 1 342.487 1.971 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000417204264 251146018 /nfs/dbraw/zinc/14/60/18/251146018.db2.gz ZZTGRKXWZJLUHY-AEFFLSMTSA-N 2 1 336.455 1.502 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417270718 251151374 /nfs/dbraw/zinc/15/13/74/251151374.db2.gz NPJNEAYJEZRFDA-KRWDZBQOSA-N 2 1 334.489 1.501 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417270718 251151377 /nfs/dbraw/zinc/15/13/77/251151377.db2.gz NPJNEAYJEZRFDA-KRWDZBQOSA-N 2 1 334.489 1.501 20 0 EDADMP NCC(F)(F)CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417499850 251180620 /nfs/dbraw/zinc/18/06/20/251180620.db2.gz ICBPNEWVCCACKS-HNNXBMFYSA-N 2 1 340.418 1.444 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417499850 251180624 /nfs/dbraw/zinc/18/06/24/251180624.db2.gz ICBPNEWVCCACKS-HNNXBMFYSA-N 2 1 340.418 1.444 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417499850 251180626 /nfs/dbraw/zinc/18/06/26/251180626.db2.gz ICBPNEWVCCACKS-HNNXBMFYSA-N 2 1 340.418 1.444 20 0 EDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000417498511 251181379 /nfs/dbraw/zinc/18/13/79/251181379.db2.gz GBYHQJCXAGPCDG-QRVBRYPASA-N 2 1 344.503 1.978 20 0 EDADMP C[C@H](CNC(=O)N1CCNC[C@@](C)(F)C1)[N@@H+](C)Cc1ccccc1 ZINC000417576311 251194135 /nfs/dbraw/zinc/19/41/35/251194135.db2.gz HERRNGWEQUJAJT-CRAIPNDOSA-N 2 1 336.455 1.850 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)[N@@H+](C)Cc1ccccc1 ZINC000417576311 251194143 /nfs/dbraw/zinc/19/41/43/251194143.db2.gz HERRNGWEQUJAJT-CRAIPNDOSA-N 2 1 336.455 1.850 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417615069 251206648 /nfs/dbraw/zinc/20/66/48/251206648.db2.gz WMNCPQSQLSHWRV-HZPDHXFCSA-N 2 1 340.537 1.599 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000417753727 251256073 /nfs/dbraw/zinc/25/60/73/251256073.db2.gz UOQZJWDXGRVPRF-WMZOPIPTSA-N 2 1 347.507 1.259 20 0 EDADMP C[N@H+](CCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)Cc1ccc(F)cc1 ZINC000417828893 251288696 /nfs/dbraw/zinc/28/86/96/251288696.db2.gz QNSJPKCMAQBDPK-QGZVFWFLSA-N 2 1 340.418 1.601 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)Cc1ccc(F)cc1 ZINC000417828893 251288698 /nfs/dbraw/zinc/28/86/98/251288698.db2.gz QNSJPKCMAQBDPK-QGZVFWFLSA-N 2 1 340.418 1.601 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000417867082 251305639 /nfs/dbraw/zinc/30/56/39/251305639.db2.gz WSBOAOQIWPUJDR-HUUCEWRRSA-N 2 1 348.447 1.021 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)N3CC[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000417867082 251305645 /nfs/dbraw/zinc/30/56/45/251305645.db2.gz WSBOAOQIWPUJDR-HUUCEWRRSA-N 2 1 348.447 1.021 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418111117 251327618 /nfs/dbraw/zinc/32/76/18/251327618.db2.gz XHTCGQKQKWSQPQ-IEBWSBKVSA-N 2 1 348.466 1.852 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418111117 251327622 /nfs/dbraw/zinc/32/76/22/251327622.db2.gz XHTCGQKQKWSQPQ-IEBWSBKVSA-N 2 1 348.466 1.852 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000418680481 251384806 /nfs/dbraw/zinc/38/48/06/251384806.db2.gz XTBSJQDXRWTPMX-DZJNRPSUSA-N 2 1 334.508 1.890 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@@H]1C ZINC000418685685 251385957 /nfs/dbraw/zinc/38/59/57/251385957.db2.gz NHUXUTVUWUOXRQ-UOVPBQLFSA-N 2 1 330.476 1.866 20 0 EDADMP Cc1ccc([C@H]([NH3+])C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000262606353 139289611 /nfs/dbraw/zinc/28/96/11/139289611.db2.gz ATVLSFJLHZWCSF-QAPCUYQASA-N 2 1 331.460 1.707 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262653109 139293437 /nfs/dbraw/zinc/29/34/37/139293437.db2.gz SDGFDHGGJUHSMN-WMZOPIPTSA-N 2 1 332.492 1.466 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCCCCC[NH3+])c1 ZINC000262661309 139294296 /nfs/dbraw/zinc/29/42/96/139294296.db2.gz NTPKFBSPHDCILZ-KRWDZBQOSA-N 2 1 346.475 1.984 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCCCCC[NH3+])c1 ZINC000262661309 139294297 /nfs/dbraw/zinc/29/42/97/139294297.db2.gz NTPKFBSPHDCILZ-KRWDZBQOSA-N 2 1 346.475 1.984 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000262694612 139296838 /nfs/dbraw/zinc/29/68/38/139296838.db2.gz CHLGMWCPORYVFX-HXUWFJFHSA-N 2 1 346.519 1.958 20 0 EDADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1C ZINC000420349956 251692312 /nfs/dbraw/zinc/69/23/12/251692312.db2.gz RARPXNFFZCWKKH-FUHWJXTLSA-N 2 1 330.476 1.610 20 0 EDADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1C ZINC000420349956 251692316 /nfs/dbraw/zinc/69/23/16/251692316.db2.gz RARPXNFFZCWKKH-FUHWJXTLSA-N 2 1 330.476 1.610 20 0 EDADMP C[C@@H]1[NH2+]CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000262729645 139299504 /nfs/dbraw/zinc/29/95/04/139299504.db2.gz BFCJTAJRZBGIJX-IRXDYDNUSA-N 2 1 330.476 1.013 20 0 EDADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423173125 252041154 /nfs/dbraw/zinc/04/11/54/252041154.db2.gz XACQTUOCUBQIMJ-KANFNMMFSA-N 2 1 334.460 1.518 20 0 EDADMP COC[C@@]1(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)CC[NH2+]C1 ZINC000423354976 252050782 /nfs/dbraw/zinc/05/07/82/252050782.db2.gz DKQZCBMQHVASDU-LJQANCHMSA-N 2 1 333.476 1.769 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000423352265 252050799 /nfs/dbraw/zinc/05/07/99/252050799.db2.gz AEOOBLXAXBOAFD-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH2+]CCCC(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000423849689 252090753 /nfs/dbraw/zinc/09/07/53/252090753.db2.gz SHGUWBXOQJGEQN-UHFFFAOYSA-N 2 1 332.448 1.289 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000424043636 252122793 /nfs/dbraw/zinc/12/27/93/252122793.db2.gz NOVFBLBOFXEOKM-CMPFZWEDSA-N 2 1 335.492 1.365 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424154838 252147847 /nfs/dbraw/zinc/14/78/47/252147847.db2.gz MFBVIVUWZJXTSF-CABCVRRESA-N 2 1 334.468 1.053 20 0 EDADMP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424218907 252166466 /nfs/dbraw/zinc/16/64/66/252166466.db2.gz XXIPKAFASOQUKR-PNYFIKQUSA-N 2 1 325.456 1.719 20 0 EDADMP [NH3+]C1(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCOCC1 ZINC000424218741 252167706 /nfs/dbraw/zinc/16/77/06/252167706.db2.gz WNZGQVBPXKBRAK-DLBZAZTESA-N 2 1 329.444 1.227 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424445417 252233878 /nfs/dbraw/zinc/23/38/78/252233878.db2.gz FKVXAPJGAHOVIF-UHFFFAOYSA-N 2 1 343.431 1.494 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000424472326 252244911 /nfs/dbraw/zinc/24/49/11/252244911.db2.gz UWKKIAFTYUOZGO-AWEZNQCLSA-N 2 1 332.448 1.192 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000351884987 285020607 /nfs/dbraw/zinc/02/06/07/285020607.db2.gz CLERIEVWKYOWEW-NVXWUHKLSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000111856798 285034599 /nfs/dbraw/zinc/03/45/99/285034599.db2.gz UTFHJPQOJCYHFU-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCCC(C)(C)C2)C1 ZINC000445150912 285058787 /nfs/dbraw/zinc/05/87/87/285058787.db2.gz PMFKQKXUGIBVHG-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000445150912 285058788 /nfs/dbraw/zinc/05/87/88/285058788.db2.gz PMFKQKXUGIBVHG-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CCCC(C)(C)C2)C1 ZINC000445150912 285058789 /nfs/dbraw/zinc/05/87/89/285058789.db2.gz PMFKQKXUGIBVHG-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP CC[N@@H+](CCNC(=O)NCc1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000263705117 139354114 /nfs/dbraw/zinc/35/41/14/139354114.db2.gz JCODOGDOODVRIF-UHFFFAOYSA-N 2 1 348.491 1.911 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000487275036 255028419 /nfs/dbraw/zinc/02/84/19/255028419.db2.gz YQVBGWWCWOMGPH-SPUZQDLCSA-N 2 1 330.476 1.731 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000487275036 255028421 /nfs/dbraw/zinc/02/84/21/255028421.db2.gz YQVBGWWCWOMGPH-SPUZQDLCSA-N 2 1 330.476 1.731 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000487275036 255028423 /nfs/dbraw/zinc/02/84/23/255028423.db2.gz YQVBGWWCWOMGPH-SPUZQDLCSA-N 2 1 330.476 1.731 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)C(C)(C)C ZINC000125577467 285243602 /nfs/dbraw/zinc/24/36/02/285243602.db2.gz VDRKJKIDBWNMHL-OAHLLOKOSA-N 2 1 340.512 1.023 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487574963 255033201 /nfs/dbraw/zinc/03/32/01/255033201.db2.gz PUZOXVFOGXNDPC-SJORKVTESA-N 2 1 340.512 1.395 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418701610 285245304 /nfs/dbraw/zinc/24/53/04/285245304.db2.gz KHGGLMVWCNORNS-JKSUJKDBSA-N 3 1 327.517 1.171 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](OC)C1 ZINC000249015596 285245758 /nfs/dbraw/zinc/24/57/58/285245758.db2.gz JHFLVELHHJSODI-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(O)cc1O ZINC000272894840 285249316 /nfs/dbraw/zinc/24/93/16/285249316.db2.gz ZTAHJSCSUJYJBP-CQSZACIVSA-N 2 1 335.448 1.586 20 0 EDADMP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000496382979 255389915 /nfs/dbraw/zinc/38/99/15/255389915.db2.gz OEPOTSBDCJGJRP-UHFFFAOYSA-N 2 1 337.468 1.373 20 0 EDADMP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000496382979 255389916 /nfs/dbraw/zinc/38/99/16/255389916.db2.gz OEPOTSBDCJGJRP-UHFFFAOYSA-N 2 1 337.468 1.373 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]CCCNC(=O)OC(C)(C)C)CCCO1 ZINC000496239287 255369009 /nfs/dbraw/zinc/36/90/09/255369009.db2.gz XSLBPJSWPNBRDZ-HNNXBMFYSA-N 2 1 329.485 1.992 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418701607 285278730 /nfs/dbraw/zinc/27/87/30/285278730.db2.gz KHGGLMVWCNORNS-HOTGVXAUSA-N 3 1 327.517 1.171 20 0 EDADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[N@@H+](C)C1CC1 ZINC000118127940 221127063 /nfs/dbraw/zinc/12/70/63/221127063.db2.gz QQOZXVGISVEFQZ-AWEZNQCLSA-N 2 1 346.475 1.328 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC[N@H+]1CC(C)(C)O ZINC000332226035 141143306 /nfs/dbraw/zinc/14/33/06/141143306.db2.gz BYRBOOQMQZAGCL-OWCLPIDISA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH+]1CC(C)(C)O ZINC000332226035 141143307 /nfs/dbraw/zinc/14/33/07/141143307.db2.gz BYRBOOQMQZAGCL-OWCLPIDISA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000333649691 141350348 /nfs/dbraw/zinc/35/03/48/141350348.db2.gz JOVBPXDPFLTCAV-GOEBONIOSA-N 2 1 334.468 1.021 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333704601 141362203 /nfs/dbraw/zinc/36/22/03/141362203.db2.gz DTFOLHIJYMENSG-CWRNSKLLSA-N 2 1 348.516 1.794 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333704601 141362206 /nfs/dbraw/zinc/36/22/06/141362206.db2.gz DTFOLHIJYMENSG-CWRNSKLLSA-N 2 1 348.516 1.794 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000339314754 142011885 /nfs/dbraw/zinc/01/18/85/142011885.db2.gz DGEUTWJWYFNTTO-FUHWJXTLSA-N 2 1 348.491 1.699 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000339314754 142011886 /nfs/dbraw/zinc/01/18/86/142011886.db2.gz DGEUTWJWYFNTTO-FUHWJXTLSA-N 2 1 348.491 1.699 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000339314754 142011887 /nfs/dbraw/zinc/01/18/87/142011887.db2.gz DGEUTWJWYFNTTO-FUHWJXTLSA-N 2 1 348.491 1.699 20 0 EDADMP CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000339576301 142081799 /nfs/dbraw/zinc/08/17/99/142081799.db2.gz ZMPOJDYNLIMUIW-OAHLLOKOSA-N 2 1 340.512 1.071 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340046092 142247252 /nfs/dbraw/zinc/24/72/52/142247252.db2.gz RULVHAOTDYNMCG-KRWDZBQOSA-N 2 1 339.505 1.522 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000340274690 142327265 /nfs/dbraw/zinc/32/72/65/142327265.db2.gz ZJFUDEYAXHOIBI-IAGOWNOFSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@@H](Cc1ccncc1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000344761043 143008527 /nfs/dbraw/zinc/00/85/27/143008527.db2.gz OSXZDBMGLPSAJG-HNNXBMFYSA-N 2 1 326.448 1.344 20 0 EDADMP C[C@H]1[C@@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CCC[N@H+]1C ZINC000345294396 143074367 /nfs/dbraw/zinc/07/43/67/143074367.db2.gz BQNHUQZVJRGRHN-GJZGRUSLSA-N 2 1 331.464 1.046 20 0 EDADMP [NH3+][C@H](CC(F)F)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000345706284 143123584 /nfs/dbraw/zinc/12/35/84/143123584.db2.gz GXINTQAUDGWBBY-HUUCEWRRSA-N 2 1 325.403 1.650 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000345730632 143126716 /nfs/dbraw/zinc/12/67/16/143126716.db2.gz FRRDFEXMTVBEJV-TWMKSMIVSA-N 2 1 340.512 1.610 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000345730632 143126717 /nfs/dbraw/zinc/12/67/17/143126717.db2.gz FRRDFEXMTVBEJV-TWMKSMIVSA-N 2 1 340.512 1.610 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000345730632 143126718 /nfs/dbraw/zinc/12/67/18/143126718.db2.gz FRRDFEXMTVBEJV-TWMKSMIVSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000345737941 143127390 /nfs/dbraw/zinc/12/73/90/143127390.db2.gz FPPOWQMHPQMNHB-GJZGRUSLSA-N 2 1 326.485 1.004 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000346378182 143198571 /nfs/dbraw/zinc/19/85/71/143198571.db2.gz RTEQKXAFAYJBFJ-IAGOWNOFSA-N 2 1 345.491 1.193 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@H]3CC[N@H+](C)C[C@H]3C)C2)nc1 ZINC000346810308 143247734 /nfs/dbraw/zinc/24/77/34/143247734.db2.gz RMFZXGDZCBUPLS-CJNGLKHVSA-N 2 1 332.448 1.377 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)C2)nc1 ZINC000346810308 143247735 /nfs/dbraw/zinc/24/77/35/143247735.db2.gz RMFZXGDZCBUPLS-CJNGLKHVSA-N 2 1 332.448 1.377 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000346871682 143254275 /nfs/dbraw/zinc/25/42/75/143254275.db2.gz NBLIQCDXPZMXHP-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000347051874 143276837 /nfs/dbraw/zinc/27/68/37/143276837.db2.gz RRICMHJAFQEPLB-OAHLLOKOSA-N 2 1 332.448 1.124 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000347665958 143347240 /nfs/dbraw/zinc/34/72/40/143347240.db2.gz ABAWPJHTQHBKGK-CVEARBPZSA-N 2 1 343.475 1.142 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)CCCO1 ZINC000347834211 143368565 /nfs/dbraw/zinc/36/85/65/143368565.db2.gz QGWLZDHDOOJLLQ-HZPDHXFCSA-N 2 1 349.479 1.246 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)CCCO1 ZINC000347834211 143368566 /nfs/dbraw/zinc/36/85/66/143368566.db2.gz QGWLZDHDOOJLLQ-HZPDHXFCSA-N 2 1 349.479 1.246 20 0 EDADMP O=C(NC[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000347836385 143368935 /nfs/dbraw/zinc/36/89/35/143368935.db2.gz SRDSVNLZGDNSFO-GDBMZVCRSA-N 2 1 332.448 1.205 20 0 EDADMP O=C(NC[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000347836385 143368936 /nfs/dbraw/zinc/36/89/36/143368936.db2.gz SRDSVNLZGDNSFO-GDBMZVCRSA-N 2 1 332.448 1.205 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](C)CCN2C)cc1)C1CC1 ZINC000347881161 143374177 /nfs/dbraw/zinc/37/41/77/143374177.db2.gz INBDTUIIDLYYGN-IBGZPJMESA-N 2 1 344.503 1.647 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1)C1CC1 ZINC000347881161 143374178 /nfs/dbraw/zinc/37/41/78/143374178.db2.gz INBDTUIIDLYYGN-IBGZPJMESA-N 2 1 344.503 1.647 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1)C1CC1 ZINC000347881161 143374179 /nfs/dbraw/zinc/37/41/79/143374179.db2.gz INBDTUIIDLYYGN-IBGZPJMESA-N 2 1 344.503 1.647 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000416841808 304350680 /nfs/dbraw/zinc/35/06/80/304350680.db2.gz IJKJHQXIPLZNIH-WFASDCNBSA-N 2 1 340.855 1.312 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416848473 304351645 /nfs/dbraw/zinc/35/16/45/304351645.db2.gz WTPABPMCTYPMBA-KSZLIROESA-N 2 1 328.460 1.797 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](C)C1 ZINC000370646242 286061587 /nfs/dbraw/zinc/06/15/87/286061587.db2.gz QZXWEOPZNJHVSF-JQHSSLGASA-N 2 1 337.508 1.581 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCSCC1 ZINC000352655096 149102989 /nfs/dbraw/zinc/10/29/89/149102989.db2.gz GAOPBSRDIUHFGJ-HNNXBMFYSA-N 2 1 328.526 1.599 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC[NH+]1CCSCC1 ZINC000352655096 149102990 /nfs/dbraw/zinc/10/29/90/149102990.db2.gz GAOPBSRDIUHFGJ-HNNXBMFYSA-N 2 1 328.526 1.599 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000352686417 149116355 /nfs/dbraw/zinc/11/63/55/149116355.db2.gz ZBDIRZXPEPUGIH-UHFFFAOYSA-N 2 1 326.510 1.305 20 0 EDADMP CCCOc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000352693710 149119405 /nfs/dbraw/zinc/11/94/05/149119405.db2.gz MHLITMLYRFKZEE-KRWDZBQOSA-N 2 1 333.476 1.964 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000352695067 149119997 /nfs/dbraw/zinc/11/99/97/149119997.db2.gz XTLYOYIOHYWHJY-INIZCTEOSA-N 2 1 340.537 1.695 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](CO)C2)CC1 ZINC000352749252 149149180 /nfs/dbraw/zinc/14/91/80/149149180.db2.gz AIDSDCTVVSHDML-KRWDZBQOSA-N 2 1 345.487 1.390 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1)C1CC1 ZINC000352751249 149149709 /nfs/dbraw/zinc/14/97/09/149149709.db2.gz HKDBCZUYKKSZCT-WBAXXEDZSA-N 2 1 338.879 1.803 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1)C1CC1 ZINC000352751249 149149713 /nfs/dbraw/zinc/14/97/13/149149713.db2.gz HKDBCZUYKKSZCT-WBAXXEDZSA-N 2 1 338.879 1.803 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1)C1CC1 ZINC000352751249 149149714 /nfs/dbraw/zinc/14/97/14/149149714.db2.gz HKDBCZUYKKSZCT-WBAXXEDZSA-N 2 1 338.879 1.803 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1)C1CC1 ZINC000352751249 149149717 /nfs/dbraw/zinc/14/97/17/149149717.db2.gz HKDBCZUYKKSZCT-WBAXXEDZSA-N 2 1 338.879 1.803 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)[C@H](C)C1 ZINC000353028614 149259123 /nfs/dbraw/zinc/25/91/23/149259123.db2.gz BVXDSNKWBQXYKT-VQHPVUNQSA-N 2 1 340.512 1.346 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000416964743 304356399 /nfs/dbraw/zinc/35/63/99/304356399.db2.gz CSDLASYTCKWLOA-IRXDYDNUSA-N 2 1 334.464 1.001 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000369943394 155245921 /nfs/dbraw/zinc/24/59/21/155245921.db2.gz RQLUNNQATFHGNV-IBGZPJMESA-N 2 1 345.487 1.388 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000369943394 155245922 /nfs/dbraw/zinc/24/59/22/155245922.db2.gz RQLUNNQATFHGNV-IBGZPJMESA-N 2 1 345.487 1.388 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCOCC2(CC2)C1)c1ccccc1 ZINC000355068564 150102307 /nfs/dbraw/zinc/10/23/07/150102307.db2.gz ZUTCYZKRNYZKMW-KRWDZBQOSA-N 2 1 331.460 1.518 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCOCC2(CC2)C1)c1ccccc1 ZINC000355068564 150102310 /nfs/dbraw/zinc/10/23/10/150102310.db2.gz ZUTCYZKRNYZKMW-KRWDZBQOSA-N 2 1 331.460 1.518 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000355176726 150154072 /nfs/dbraw/zinc/15/40/72/150154072.db2.gz VVMIMEJQNPLWLL-GASCZTMLSA-N 2 1 326.485 1.005 20 0 EDADMP CC[N@@H+]1CC[C@H]2OCCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC000355368062 150238410 /nfs/dbraw/zinc/23/84/10/150238410.db2.gz KJSNPXQNOAGDSX-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC000355368062 150238412 /nfs/dbraw/zinc/23/84/12/150238412.db2.gz KJSNPXQNOAGDSX-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000355368062 150238414 /nfs/dbraw/zinc/23/84/14/150238414.db2.gz KJSNPXQNOAGDSX-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000355368062 150238417 /nfs/dbraw/zinc/23/84/17/150238417.db2.gz KJSNPXQNOAGDSX-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CCN1C1CC[NH+](C)CC1 ZINC000355499987 150293782 /nfs/dbraw/zinc/29/37/82/150293782.db2.gz CLICHXGBAYCULI-RDJZCZTQSA-N 2 1 345.491 1.387 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000355588557 150326810 /nfs/dbraw/zinc/32/68/10/150326810.db2.gz BWSANGTYBOIXLW-PKOBYXMFSA-N 2 1 346.519 1.822 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000357404873 151021067 /nfs/dbraw/zinc/02/10/67/151021067.db2.gz KYJYRPXKJLUOJV-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000357404873 151021068 /nfs/dbraw/zinc/02/10/68/151021068.db2.gz KYJYRPXKJLUOJV-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)c2cccc(CN3CCOCC3)c2)CC[N@H+]1C ZINC000357407939 151022861 /nfs/dbraw/zinc/02/28/61/151022861.db2.gz FXQKECVMXMPULD-QAPCUYQASA-N 2 1 331.460 1.731 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000357602282 151081901 /nfs/dbraw/zinc/08/19/01/151081901.db2.gz GVGDCEFMKSRXAS-NSHDSACASA-N 2 1 340.855 1.406 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000357820285 151161783 /nfs/dbraw/zinc/16/17/83/151161783.db2.gz ZOSJXYXHHGKJPY-OAGGEKHMSA-N 2 1 338.496 1.435 20 0 EDADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358227298 151311769 /nfs/dbraw/zinc/31/17/69/151311769.db2.gz DMYVWCLMPOCGKJ-MLGOLLRUSA-N 2 1 325.840 1.713 20 0 EDADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358227298 151311771 /nfs/dbraw/zinc/31/17/71/151311771.db2.gz DMYVWCLMPOCGKJ-MLGOLLRUSA-N 2 1 325.840 1.713 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCCC[C@H]2C)C1 ZINC000358409822 151366342 /nfs/dbraw/zinc/36/63/42/151366342.db2.gz ITQFKXYNOZQUDU-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCCC[C@H]2C)C1 ZINC000358409822 151366345 /nfs/dbraw/zinc/36/63/45/151366345.db2.gz ITQFKXYNOZQUDU-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCCC[C@H]2C)C1 ZINC000358409822 151366346 /nfs/dbraw/zinc/36/63/46/151366346.db2.gz ITQFKXYNOZQUDU-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC1 ZINC000358473276 151388574 /nfs/dbraw/zinc/38/85/74/151388574.db2.gz FXGGFWYLDKPWES-UHFFFAOYSA-N 2 1 341.544 1.384 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000358473276 151388575 /nfs/dbraw/zinc/38/85/75/151388575.db2.gz FXGGFWYLDKPWES-UHFFFAOYSA-N 2 1 341.544 1.384 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358501439 151397168 /nfs/dbraw/zinc/39/71/68/151397168.db2.gz TUEDTMOJSRZPBA-CQSZACIVSA-N 2 1 345.443 1.860 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000358522252 151404788 /nfs/dbraw/zinc/40/47/88/151404788.db2.gz JZJYBSXNCXVJJX-QGZVFWFLSA-N 2 1 347.507 1.400 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360745765 152182193 /nfs/dbraw/zinc/18/21/93/152182193.db2.gz NDJDNXYILYIISI-RDJZCZTQSA-N 2 1 342.553 1.940 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000360789566 152206426 /nfs/dbraw/zinc/20/64/26/152206426.db2.gz VOXDIKZGISYEEO-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP O=C(NCCCCNc1ccccn1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000361289695 152354329 /nfs/dbraw/zinc/35/43/29/152354329.db2.gz WMPHUOSCJMCYLO-HOTGVXAUSA-N 2 1 347.463 1.436 20 0 EDADMP COCC1(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)CCC1 ZINC000361298808 152357180 /nfs/dbraw/zinc/35/71/80/152357180.db2.gz ZDSOFAFPPCUNPA-GOSISDBHSA-N 2 1 339.524 1.530 20 0 EDADMP CN(CC[N@H+]1CCCOCC1)C[C@H]1CCC[NH+](C)[C@@H]1c1cnn(C)c1 ZINC000361377976 152377780 /nfs/dbraw/zinc/37/77/80/152377780.db2.gz JTSDIIQXMOXNHT-MJGOQNOKSA-N 2 1 349.523 1.457 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000361377976 152377783 /nfs/dbraw/zinc/37/77/83/152377783.db2.gz JTSDIIQXMOXNHT-MJGOQNOKSA-N 2 1 349.523 1.457 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000361377976 152377784 /nfs/dbraw/zinc/37/77/84/152377784.db2.gz JTSDIIQXMOXNHT-MJGOQNOKSA-N 2 1 349.523 1.457 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1nnc(C2CC2)n1C ZINC000363707389 153035352 /nfs/dbraw/zinc/03/53/52/153035352.db2.gz QIVCYQIRILQUKE-VNQPRFMTSA-N 2 1 333.480 1.672 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000363798220 153059163 /nfs/dbraw/zinc/05/91/63/153059163.db2.gz BHNCXEQTUJUZBX-ATZDWAIDSA-N 2 1 327.472 1.965 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)C1CC1 ZINC000364203193 153171119 /nfs/dbraw/zinc/17/11/19/153171119.db2.gz YXYYNZKBWKDCGA-NVXWUHKLSA-N 2 1 338.496 1.271 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364714429 153312133 /nfs/dbraw/zinc/31/21/33/153312133.db2.gz RHYHBNWPJMCEBD-MRXNPFEDSA-N 2 1 342.443 1.702 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364714429 153312136 /nfs/dbraw/zinc/31/21/36/153312136.db2.gz RHYHBNWPJMCEBD-MRXNPFEDSA-N 2 1 342.443 1.702 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCC2(C1)CC[NH2+]CC2)Cc1ccccc1 ZINC000417231115 304386186 /nfs/dbraw/zinc/38/61/86/304386186.db2.gz MJKKRCFTUBWNPC-UHFFFAOYSA-N 2 1 330.476 1.904 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000417264969 304388560 /nfs/dbraw/zinc/38/85/60/304388560.db2.gz AWYLRXRMZGTVSA-MAUKXSAKSA-N 2 1 348.491 1.690 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000417264969 304388562 /nfs/dbraw/zinc/38/85/62/304388562.db2.gz AWYLRXRMZGTVSA-MAUKXSAKSA-N 2 1 348.491 1.690 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000367072471 154000623 /nfs/dbraw/zinc/00/06/23/154000623.db2.gz GLTYHLRHWNLWCZ-QZWWFDLISA-N 2 1 335.492 1.382 20 0 EDADMP CCCNC(=O)NC(=O)C[N@@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000367116361 154013207 /nfs/dbraw/zinc/01/32/07/154013207.db2.gz BIHXLERBPXNWGS-UHFFFAOYSA-N 2 1 347.463 1.214 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCC(=O)NC3CCCC3)C2)CC1 ZINC000367622614 154202399 /nfs/dbraw/zinc/20/23/99/154202399.db2.gz JIXBRQGICUQYAJ-QGZVFWFLSA-N 2 1 336.524 1.395 20 0 EDADMP C[C@H]1CN(c2nccn(C(F)F)c2=O)CC[N@@H+]1C1CCN(C)CC1 ZINC000367935685 154333297 /nfs/dbraw/zinc/33/32/97/154333297.db2.gz QECNCUJEKNQRCS-LBPRGKRZSA-N 2 1 341.406 1.243 20 0 EDADMP C[C@H]1CN(c2nccn(C(F)F)c2=O)CC[N@H+]1C1CCN(C)CC1 ZINC000367935685 154333302 /nfs/dbraw/zinc/33/33/02/154333302.db2.gz QECNCUJEKNQRCS-LBPRGKRZSA-N 2 1 341.406 1.243 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000368002527 154362711 /nfs/dbraw/zinc/36/27/11/154362711.db2.gz SBMXKSWVZNPZPI-INIZCTEOSA-N 2 1 332.448 1.332 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H](C)O1 ZINC000368058573 154390291 /nfs/dbraw/zinc/39/02/91/154390291.db2.gz ADAXWAVSSPASLT-RVKKMQEKSA-N 2 1 343.487 1.814 20 0 EDADMP [NH3+]C1(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCCCC1 ZINC000574862329 306658137 /nfs/dbraw/zinc/65/81/37/306658137.db2.gz OZBAZWGHHVXRST-MRXNPFEDSA-N 2 1 338.496 1.544 20 0 EDADMP Cc1nccc(CN2CCC[C@@H]([NH2+]C3CC[NH+](C(C)C)CC3)C2=O)n1 ZINC000371840068 156131907 /nfs/dbraw/zinc/13/19/07/156131907.db2.gz CXIZCNXCJGEGTE-GOSISDBHSA-N 2 1 345.491 1.738 20 0 EDADMP CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc2c1CC[N@@H+](CC)C2 ZINC000372035685 156218736 /nfs/dbraw/zinc/21/87/36/156218736.db2.gz DJWLRBZREWKRBS-UHFFFAOYSA-N 2 1 346.475 1.461 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000374516517 157315146 /nfs/dbraw/zinc/31/51/46/157315146.db2.gz YETIVIACKJWQGX-IBGZPJMESA-N 2 1 345.487 1.783 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCC[C@@H]3C)CC2)C1 ZINC000378196577 158105308 /nfs/dbraw/zinc/10/53/08/158105308.db2.gz NOQLPZQLMVGEHP-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000378196577 158105312 /nfs/dbraw/zinc/10/53/12/158105312.db2.gz NOQLPZQLMVGEHP-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000378196577 158105314 /nfs/dbraw/zinc/10/53/14/158105314.db2.gz NOQLPZQLMVGEHP-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)CCCCCC[NH3+] ZINC000378204037 158107622 /nfs/dbraw/zinc/10/76/22/158107622.db2.gz KNDWCKAREVVARA-BRWVUGGUSA-N 2 1 325.497 1.901 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000352148413 162013305 /nfs/dbraw/zinc/01/33/05/162013305.db2.gz LIDLKSBFMICCQT-RTBURBONSA-N 2 1 342.487 1.015 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000352221062 162057948 /nfs/dbraw/zinc/05/79/48/162057948.db2.gz GGOZWZXAZGLLCQ-SJORKVTESA-N 2 1 342.528 1.717 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)CC[NH+](CC)CC ZINC000352264145 162081975 /nfs/dbraw/zinc/08/19/75/162081975.db2.gz GOCJKJDDSHRQKY-INIZCTEOSA-N 2 1 333.542 1.902 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000352277065 162088746 /nfs/dbraw/zinc/08/87/46/162088746.db2.gz ZPGKJCJYEOTKRY-MRXNPFEDSA-N 2 1 339.505 1.651 20 0 EDADMP CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352422838 162174993 /nfs/dbraw/zinc/17/49/93/162174993.db2.gz KXRPKZWRQMOTOD-QWFCFKBJSA-N 2 1 346.471 1.754 20 0 EDADMP CCOC(=O)[C@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352422838 162174994 /nfs/dbraw/zinc/17/49/94/162174994.db2.gz KXRPKZWRQMOTOD-QWFCFKBJSA-N 2 1 346.471 1.754 20 0 EDADMP CCOC(=O)[C@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352422838 162174995 /nfs/dbraw/zinc/17/49/95/162174995.db2.gz KXRPKZWRQMOTOD-QWFCFKBJSA-N 2 1 346.471 1.754 20 0 EDADMP Cn1c2ccc(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)cc2oc1=O ZINC000352551007 162246282 /nfs/dbraw/zinc/24/62/82/162246282.db2.gz SJZLYXDGQYUSKG-HNNXBMFYSA-N 2 1 333.432 1.458 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C[C@@H]1C ZINC000186122799 287091560 /nfs/dbraw/zinc/09/15/60/287091560.db2.gz GZPJYAYSPAVXMV-YESZJQIVSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H]1C[NH+](CC2CC[NH+](CN3CC(C)(C)OC3=O)CC2)C[C@H](C)O1 ZINC000124115479 287394221 /nfs/dbraw/zinc/39/42/21/287394221.db2.gz ONQUNTFVNDXOLD-GJZGRUSLSA-N 2 1 339.480 1.996 20 0 EDADMP COC1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]CC1 ZINC000166380447 226156410 /nfs/dbraw/zinc/15/64/10/226156410.db2.gz LOISEVOQKJMAQQ-SFHVURJKSA-N 2 1 345.487 1.436 20 0 EDADMP COC1(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000166506262 226161234 /nfs/dbraw/zinc/16/12/34/226161234.db2.gz QXNJXRNDJHNADN-OAHLLOKOSA-N 2 1 331.460 1.318 20 0 EDADMP CN1C(=O)CCc2cc(CN3CCC([N@@H+](C)CCO)CC3)ccc21 ZINC000274896613 268232949 /nfs/dbraw/zinc/23/29/49/268232949.db2.gz LRNAKRRFLYRKJQ-UHFFFAOYSA-N 2 1 331.460 1.484 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275438609 268342075 /nfs/dbraw/zinc/34/20/75/268342075.db2.gz FSVPCHRTCXXIGX-OAHLLOKOSA-N 2 1 342.443 1.702 20 0 EDADMP CC[NH+](CC)CCOCC[N@H+](Cc1ccccc1)C[C@@H](O)COC ZINC000273111699 273029293 /nfs/dbraw/zinc/02/92/93/273029293.db2.gz XNRXLOUEKWZMQR-LJQANCHMSA-N 2 1 338.492 1.854 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000274295021 273082828 /nfs/dbraw/zinc/08/28/28/273082828.db2.gz QXCGKQRWNFQRJK-UYAOXDASSA-N 2 1 343.471 1.490 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000274295021 273082829 /nfs/dbraw/zinc/08/28/29/273082829.db2.gz QXCGKQRWNFQRJK-UYAOXDASSA-N 2 1 343.471 1.490 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000284055899 274063602 /nfs/dbraw/zinc/06/36/02/274063602.db2.gz JVHDGQHSQNZTFI-WOJBJXKFSA-N 2 1 347.503 1.540 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284332472 274164397 /nfs/dbraw/zinc/16/43/97/274164397.db2.gz LQTPGLIAJQYDPA-UHFFFAOYSA-N 2 1 329.448 1.338 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000284591429 274256022 /nfs/dbraw/zinc/25/60/22/274256022.db2.gz MDXKKLSRARROKU-NZSAHSFTSA-N 2 1 345.487 1.544 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000284655510 274281465 /nfs/dbraw/zinc/28/14/65/274281465.db2.gz PBYXJYFBKFYGHL-QGZVFWFLSA-N 2 1 332.452 1.738 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000284655510 274281467 /nfs/dbraw/zinc/28/14/67/274281467.db2.gz PBYXJYFBKFYGHL-QGZVFWFLSA-N 2 1 332.452 1.738 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284674107 274289124 /nfs/dbraw/zinc/28/91/24/274289124.db2.gz MQWBIQXRJFVJPQ-GOSISDBHSA-N 2 1 331.460 1.870 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)NCC[NH+]2CCc3ccccc3C2)CC1 ZINC000358217910 276182268 /nfs/dbraw/zinc/18/22/68/276182268.db2.gz VRPHMWILPWIGKP-UHFFFAOYSA-N 2 1 342.487 1.996 20 0 EDADMP CC1=CC[NH+](CCNC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000358217910 276182269 /nfs/dbraw/zinc/18/22/69/276182269.db2.gz VRPHMWILPWIGKP-UHFFFAOYSA-N 2 1 342.487 1.996 20 0 EDADMP CC1=CC[NH+](CCNC(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000358217910 276182271 /nfs/dbraw/zinc/18/22/71/276182271.db2.gz VRPHMWILPWIGKP-UHFFFAOYSA-N 2 1 342.487 1.996 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365681326 276186801 /nfs/dbraw/zinc/18/68/01/276186801.db2.gz WVKIPLCOADVQHR-KRWDZBQOSA-N 2 1 333.480 1.583 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000355381326 276218213 /nfs/dbraw/zinc/21/82/13/276218213.db2.gz HICZMGGTFOFKFE-KSZLIROESA-N 2 1 335.492 1.715 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000355381326 276218214 /nfs/dbraw/zinc/21/82/14/276218214.db2.gz HICZMGGTFOFKFE-KSZLIROESA-N 2 1 335.492 1.715 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000355381326 276218215 /nfs/dbraw/zinc/21/82/15/276218215.db2.gz HICZMGGTFOFKFE-KSZLIROESA-N 2 1 335.492 1.715 20 0 EDADMP CC[C@@]1(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000378219783 276536009 /nfs/dbraw/zinc/53/60/09/276536009.db2.gz JDOGACXKWJMAAV-LJQANCHMSA-N 2 1 331.460 1.525 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000417647078 277286066 /nfs/dbraw/zinc/28/60/66/277286066.db2.gz DYALWVGJSJHMJP-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000333492963 277390726 /nfs/dbraw/zinc/39/07/26/277390726.db2.gz CODBXVFXLLHJHU-HOTGVXAUSA-N 2 1 326.485 1.114 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC[NH+](C)CC1 ZINC000372193461 278143155 /nfs/dbraw/zinc/14/31/55/278143155.db2.gz VAXFTKXCGHYODG-SOLBZPMBSA-N 2 1 334.508 1.098 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC[NH+](C)CC1 ZINC000372193461 278143158 /nfs/dbraw/zinc/14/31/58/278143158.db2.gz VAXFTKXCGHYODG-SOLBZPMBSA-N 2 1 334.508 1.098 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000433465154 279038562 /nfs/dbraw/zinc/03/85/62/279038562.db2.gz ZLAWHLCFAKIABD-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000433465154 279038563 /nfs/dbraw/zinc/03/85/63/279038563.db2.gz ZLAWHLCFAKIABD-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000433465154 279038564 /nfs/dbraw/zinc/03/85/64/279038564.db2.gz ZLAWHLCFAKIABD-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP C[N@H+]1CCN(c2cc(-n3cccn3)nc(N)n2)C[C@H]1Cc1ccccc1 ZINC000286830583 288099265 /nfs/dbraw/zinc/09/92/65/288099265.db2.gz YCJMSNJCLCNLSZ-MRXNPFEDSA-N 2 1 349.442 1.608 20 0 EDADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)[N@H+](C)C1CC1 ZINC000104897099 279340661 /nfs/dbraw/zinc/34/06/61/279340661.db2.gz JHTSIFXMSVIYET-DNVCBOLYSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)[N@@H+](C)C1CC1 ZINC000104897099 279340662 /nfs/dbraw/zinc/34/06/62/279340662.db2.gz JHTSIFXMSVIYET-DNVCBOLYSA-N 2 1 345.487 1.783 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000417744182 279360664 /nfs/dbraw/zinc/36/06/64/279360664.db2.gz DPMPCMIKVLLAOB-ZACQAIPSSA-N 2 1 339.528 1.171 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417026103 279396651 /nfs/dbraw/zinc/39/66/51/279396651.db2.gz RWYWOHDEPCFDFP-WMZOPIPTSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000417026103 279396655 /nfs/dbraw/zinc/39/66/55/279396655.db2.gz RWYWOHDEPCFDFP-WMZOPIPTSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000417026103 279396659 /nfs/dbraw/zinc/39/66/59/279396659.db2.gz RWYWOHDEPCFDFP-WMZOPIPTSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000377580802 280046318 /nfs/dbraw/zinc/04/63/18/280046318.db2.gz ARLNEBVLXNBYLD-QRQLOZEOSA-N 2 1 344.503 1.479 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000290219821 288860373 /nfs/dbraw/zinc/86/03/73/288860373.db2.gz SVQMDLNTVZUOLD-UHOSZYNNSA-N 2 1 344.503 1.701 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000292093907 289259802 /nfs/dbraw/zinc/25/98/02/289259802.db2.gz NQUGWPGGNADDHN-NVXWUHKLSA-N 2 1 344.459 1.607 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000292093907 289259804 /nfs/dbraw/zinc/25/98/04/289259804.db2.gz NQUGWPGGNADDHN-NVXWUHKLSA-N 2 1 344.459 1.607 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292237976 289295925 /nfs/dbraw/zinc/29/59/25/289295925.db2.gz WLRGTCPIHKFRBI-ACJLOTCBSA-N 2 1 330.432 1.140 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)C2([NH3+])CCCC2)[C@@H](c2ccccc2)C1 ZINC000378206011 290043002 /nfs/dbraw/zinc/04/30/02/290043002.db2.gz OQJXNTXDEPNOKP-QGZVFWFLSA-N 2 1 330.476 1.363 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000245605938 290139566 /nfs/dbraw/zinc/13/95/66/290139566.db2.gz ABLZCIGZFSSHAK-QZTJIDSGSA-N 2 1 346.475 1.453 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000245605938 290139567 /nfs/dbraw/zinc/13/95/67/290139567.db2.gz ABLZCIGZFSSHAK-QZTJIDSGSA-N 2 1 346.475 1.453 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000333481218 297014754 /nfs/dbraw/zinc/01/47/54/297014754.db2.gz CDUXINXLMVSHHY-NCOADZHNSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](CCc3cccs3)CC2)CC[NH2+]1 ZINC000418605435 304518037 /nfs/dbraw/zinc/51/80/37/304518037.db2.gz PNBVEBFROFKCCD-LSDHHAIUSA-N 2 1 336.505 1.758 20 0 EDADMP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344013594 298109391 /nfs/dbraw/zinc/10/93/91/298109391.db2.gz CMDSDEGUOZSSOU-OKZBNKHCSA-N 2 1 340.556 1.980 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423514497 301200845 /nfs/dbraw/zinc/20/08/45/301200845.db2.gz SZXXOGXVNUJTKJ-CKEIUWERSA-N 2 1 339.505 1.929 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423514497 301200849 /nfs/dbraw/zinc/20/08/49/301200849.db2.gz SZXXOGXVNUJTKJ-CKEIUWERSA-N 2 1 339.505 1.929 20 0 EDADMP C[NH2+]CCC1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000420299945 304746096 /nfs/dbraw/zinc/74/60/96/304746096.db2.gz BYDXNXDUTSTLLT-LJQANCHMSA-N 2 1 346.519 1.727 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000420320253 304751321 /nfs/dbraw/zinc/75/13/21/304751321.db2.gz BCKDVTHLLWBSED-WBVHZDCISA-N 2 1 339.386 1.732 20 0 EDADMP Cn1nccc1[C@H]1[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC(=O)N1C ZINC000345003633 303095186 /nfs/dbraw/zinc/09/51/86/303095186.db2.gz WYGMMFNUPLGSKX-LDDOYCOJSA-N 2 1 331.464 1.298 20 0 EDADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)CC[C@H]21 ZINC000294963681 303157621 /nfs/dbraw/zinc/15/76/21/303157621.db2.gz NITIOAAWWPWYTF-RHSMWYFYSA-N 2 1 325.416 1.824 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)CC[C@H]21 ZINC000294963681 303157624 /nfs/dbraw/zinc/15/76/24/303157624.db2.gz NITIOAAWWPWYTF-RHSMWYFYSA-N 2 1 325.416 1.824 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000655247169 453369931 /nfs/dbraw/zinc/36/99/31/453369931.db2.gz VCYGZHMPFWMYHL-MTSZKFMLSA-N 2 1 325.497 1.577 20 0 EDADMP C[C@@H]([N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)O ZINC000295136633 303177765 /nfs/dbraw/zinc/17/77/65/303177765.db2.gz KKHKUWBKUKHYEH-MRXNPFEDSA-N 2 1 347.503 1.990 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419676521 447338974 /nfs/dbraw/zinc/33/89/74/447338974.db2.gz MQLQOQNNEGRWOZ-IAGOWNOFSA-N 2 1 346.475 1.039 20 0 EDADMP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C1=O ZINC000365997797 303837287 /nfs/dbraw/zinc/83/72/87/303837287.db2.gz YTWMKWADQQUJDQ-KBPBESRZSA-N 2 1 326.400 1.602 20 0 EDADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423282857 304891086 /nfs/dbraw/zinc/89/10/86/304891086.db2.gz DCMYIUCUYHAPFG-ZDUSSCGKSA-N 2 1 341.477 1.095 20 0 EDADMP O=C(C[NH2+]CC1CC1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000423718665 304905632 /nfs/dbraw/zinc/90/56/32/304905632.db2.gz BKLGQVDLADSDJS-UHFFFAOYSA-N 2 1 346.475 1.132 20 0 EDADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000423757966 304909074 /nfs/dbraw/zinc/90/90/74/304909074.db2.gz NFQLBKOWLSSIOW-CQSZACIVSA-N 2 1 326.391 1.217 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H](C)[C@H]([NH3+])C3)cc2F)CC1 ZINC000423983691 304922353 /nfs/dbraw/zinc/92/23/53/304922353.db2.gz TUYCEEFTBGNBLB-XJKSGUPXSA-N 2 1 334.439 1.387 20 0 EDADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003537 305022222 /nfs/dbraw/zinc/02/22/22/305022222.db2.gz IQLBGUJCMKTFKB-VWQYPGANSA-N 2 1 339.524 1.119 20 0 EDADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003537 305022223 /nfs/dbraw/zinc/02/22/23/305022223.db2.gz IQLBGUJCMKTFKB-VWQYPGANSA-N 2 1 339.524 1.119 20 0 EDADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003537 305022224 /nfs/dbraw/zinc/02/22/24/305022224.db2.gz IQLBGUJCMKTFKB-VWQYPGANSA-N 2 1 339.524 1.119 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430228628 305048078 /nfs/dbraw/zinc/04/80/78/305048078.db2.gz SPYDPIFDVYJPSQ-LJQANCHMSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430228628 305048079 /nfs/dbraw/zinc/04/80/79/305048079.db2.gz SPYDPIFDVYJPSQ-LJQANCHMSA-N 2 1 330.476 1.998 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000430616869 305059229 /nfs/dbraw/zinc/05/92/29/305059229.db2.gz IJEHZBVLNBSCLS-SOUVJXGZSA-N 2 1 347.459 1.694 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000430616869 305059230 /nfs/dbraw/zinc/05/92/30/305059230.db2.gz IJEHZBVLNBSCLS-SOUVJXGZSA-N 2 1 347.459 1.694 20 0 EDADMP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430627398 305059990 /nfs/dbraw/zinc/05/99/90/305059990.db2.gz NBVAZBCVANFYHB-JKSUJKDBSA-N 2 1 344.459 1.157 20 0 EDADMP C[NH2+]CC1CC[NH+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000430948269 305069940 /nfs/dbraw/zinc/06/99/40/305069940.db2.gz HYAXVXQACMJWGE-UHFFFAOYSA-N 2 1 341.477 1.496 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000430966867 305071566 /nfs/dbraw/zinc/07/15/66/305071566.db2.gz QKXOJQNENLREKX-HDICACEKSA-N 2 1 344.503 1.321 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000433341307 305106215 /nfs/dbraw/zinc/10/62/15/305106215.db2.gz RVBBOKMBUPVZJE-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000433341307 305106216 /nfs/dbraw/zinc/10/62/16/305106216.db2.gz RVBBOKMBUPVZJE-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000433341307 305106217 /nfs/dbraw/zinc/10/62/17/305106217.db2.gz RVBBOKMBUPVZJE-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433452409 305109384 /nfs/dbraw/zinc/10/93/84/305109384.db2.gz GQJXEYPCRXVHDQ-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433458682 305109827 /nfs/dbraw/zinc/10/98/27/305109827.db2.gz IGWKKRMEIGODDN-INIZCTEOSA-N 2 1 328.501 1.469 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC[C@H]1CCOC1 ZINC000433939209 305115211 /nfs/dbraw/zinc/11/52/11/305115211.db2.gz FMIGEKCLKNSOSA-DLBZAZTESA-N 2 1 325.497 1.678 20 0 EDADMP C[C@H]1CCC[N@H+](CCNC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000433942308 305115335 /nfs/dbraw/zinc/11/53/35/305115335.db2.gz NSBUTFIPYWUJHY-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000433942308 305115336 /nfs/dbraw/zinc/11/53/36/305115336.db2.gz NSBUTFIPYWUJHY-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000433942308 305115337 /nfs/dbraw/zinc/11/53/37/305115337.db2.gz NSBUTFIPYWUJHY-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000433942308 305115338 /nfs/dbraw/zinc/11/53/38/305115338.db2.gz NSBUTFIPYWUJHY-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP CC[N@H+](CC(=O)NCCc1ccccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435629249 305144030 /nfs/dbraw/zinc/14/40/30/305144030.db2.gz SUKPDTQDAAPIAK-QGZVFWFLSA-N 2 1 333.476 1.818 20 0 EDADMP CC[N@@H+](CC(=O)NCCc1ccccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435629249 305144031 /nfs/dbraw/zinc/14/40/31/305144031.db2.gz SUKPDTQDAAPIAK-QGZVFWFLSA-N 2 1 333.476 1.818 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000436511862 305159368 /nfs/dbraw/zinc/15/93/68/305159368.db2.gz LQCAVIALAHSAMJ-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000436511862 305159369 /nfs/dbraw/zinc/15/93/69/305159369.db2.gz LQCAVIALAHSAMJ-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000436511862 305159370 /nfs/dbraw/zinc/15/93/70/305159370.db2.gz LQCAVIALAHSAMJ-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@@H+]1C ZINC000442133105 305225950 /nfs/dbraw/zinc/22/59/50/305225950.db2.gz IQMIVDAOTLUNQQ-WBMJQRKESA-N 2 1 330.432 1.169 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@H+]1C ZINC000442133105 305225951 /nfs/dbraw/zinc/22/59/51/305225951.db2.gz IQMIVDAOTLUNQQ-WBMJQRKESA-N 2 1 330.432 1.169 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[NH+]1C ZINC000442133105 305225952 /nfs/dbraw/zinc/22/59/52/305225952.db2.gz IQMIVDAOTLUNQQ-WBMJQRKESA-N 2 1 330.432 1.169 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[NH+]1C ZINC000442133105 305225953 /nfs/dbraw/zinc/22/59/53/305225953.db2.gz IQMIVDAOTLUNQQ-WBMJQRKESA-N 2 1 330.432 1.169 20 0 EDADMP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000442976145 305232477 /nfs/dbraw/zinc/23/24/77/305232477.db2.gz LKMMSUZVYAZTMW-GOSISDBHSA-N 2 1 348.535 1.539 20 0 EDADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443067446 305234378 /nfs/dbraw/zinc/23/43/78/305234378.db2.gz GQRQCBYRZOSFSW-STQMWFEESA-N 2 1 336.411 1.923 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000444369930 305247253 /nfs/dbraw/zinc/24/72/53/305247253.db2.gz WKPQJWSOLLQVEL-VQIMIIECSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000444369930 305247254 /nfs/dbraw/zinc/24/72/54/305247254.db2.gz WKPQJWSOLLQVEL-VQIMIIECSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000444369930 305247255 /nfs/dbraw/zinc/24/72/55/305247255.db2.gz WKPQJWSOLLQVEL-VQIMIIECSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000444369930 305247256 /nfs/dbraw/zinc/24/72/56/305247256.db2.gz WKPQJWSOLLQVEL-VQIMIIECSA-N 2 1 345.487 1.565 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000446365788 305263826 /nfs/dbraw/zinc/26/38/26/305263826.db2.gz BVQCFAFIYAESMK-RCCFBDPRSA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000446365788 305263827 /nfs/dbraw/zinc/26/38/27/305263827.db2.gz BVQCFAFIYAESMK-RCCFBDPRSA-N 2 1 331.460 1.392 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cn2)CC1 ZINC000446884505 305271317 /nfs/dbraw/zinc/27/13/17/305271317.db2.gz PJTDENQVVZQPSB-UHFFFAOYSA-N 3 1 344.507 1.192 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000447957266 305289533 /nfs/dbraw/zinc/28/95/33/305289533.db2.gz XXFYARJJWYJUMK-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447957266 305289534 /nfs/dbraw/zinc/28/95/34/305289534.db2.gz XXFYARJJWYJUMK-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447957266 305289535 /nfs/dbraw/zinc/28/95/35/305289535.db2.gz XXFYARJJWYJUMK-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000449144122 305307877 /nfs/dbraw/zinc/30/78/77/305307877.db2.gz YICGQWYYGZZXLJ-GHTZIAJQSA-N 2 1 344.547 1.917 20 0 EDADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC000449248457 305309587 /nfs/dbraw/zinc/30/95/87/305309587.db2.gz HOBYBTJNBQPZSK-KRWDZBQOSA-N 2 1 345.487 1.530 20 0 EDADMP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000449694968 305317131 /nfs/dbraw/zinc/31/71/31/305317131.db2.gz HUTOVKRKBJTLML-ROUUACIJSA-N 2 1 348.466 1.200 20 0 EDADMP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000449694968 305317132 /nfs/dbraw/zinc/31/71/32/305317132.db2.gz HUTOVKRKBJTLML-ROUUACIJSA-N 2 1 348.466 1.200 20 0 EDADMP O=C(COc1ccccc1C[NH2+]CC[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000414904854 447352006 /nfs/dbraw/zinc/35/20/06/447352006.db2.gz MGAASJCKGXUFNZ-QGZVFWFLSA-N 2 1 331.460 1.920 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000471665135 305538535 /nfs/dbraw/zinc/53/85/35/305538535.db2.gz XXUUAXNTIHWWSW-UHFFFAOYSA-N 2 1 348.491 1.135 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000521236275 305787074 /nfs/dbraw/zinc/78/70/74/305787074.db2.gz DYJVEJNQJQCPQK-CVEARBPZSA-N 2 1 326.485 1.175 20 0 EDADMP CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000456323656 447360587 /nfs/dbraw/zinc/36/05/87/447360587.db2.gz WILFPHSVTWALFR-HMQBUONMSA-N 2 1 337.508 1.862 20 0 EDADMP CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000456323656 447360595 /nfs/dbraw/zinc/36/05/95/447360595.db2.gz WILFPHSVTWALFR-HMQBUONMSA-N 2 1 337.508 1.862 20 0 EDADMP CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000456323656 447360602 /nfs/dbraw/zinc/36/06/02/447360602.db2.gz WILFPHSVTWALFR-HMQBUONMSA-N 2 1 337.508 1.862 20 0 EDADMP CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000456323656 447360605 /nfs/dbraw/zinc/36/06/05/447360605.db2.gz WILFPHSVTWALFR-HMQBUONMSA-N 2 1 337.508 1.862 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000419705527 447361548 /nfs/dbraw/zinc/36/15/48/447361548.db2.gz ZWHPGBWCUPQLNS-HZPDHXFCSA-N 2 1 340.512 1.247 20 0 EDADMP CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000456323657 447360716 /nfs/dbraw/zinc/36/07/16/447360716.db2.gz WILFPHSVTWALFR-JJIJKTDDSA-N 2 1 337.508 1.862 20 0 EDADMP CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000456323657 447360723 /nfs/dbraw/zinc/36/07/23/447360723.db2.gz WILFPHSVTWALFR-JJIJKTDDSA-N 2 1 337.508 1.862 20 0 EDADMP CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000456323657 447360727 /nfs/dbraw/zinc/36/07/27/447360727.db2.gz WILFPHSVTWALFR-JJIJKTDDSA-N 2 1 337.508 1.862 20 0 EDADMP CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000456323657 447360734 /nfs/dbraw/zinc/36/07/34/447360734.db2.gz WILFPHSVTWALFR-JJIJKTDDSA-N 2 1 337.508 1.862 20 0 EDADMP C[C@@H](CNC(=O)C1CC[NH+](Cc2nccn2C)CC1)[NH+]1CCCC1 ZINC000542705710 306056813 /nfs/dbraw/zinc/05/68/13/306056813.db2.gz AUHJHRPZUCYXHM-HNNXBMFYSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000545176401 306081177 /nfs/dbraw/zinc/08/11/77/306081177.db2.gz KACVIRSDRVFRLY-DAYGRLMNSA-N 2 1 340.512 1.109 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000545176401 306081178 /nfs/dbraw/zinc/08/11/78/306081178.db2.gz KACVIRSDRVFRLY-DAYGRLMNSA-N 2 1 340.512 1.109 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000545176401 306081179 /nfs/dbraw/zinc/08/11/79/306081179.db2.gz KACVIRSDRVFRLY-DAYGRLMNSA-N 2 1 340.512 1.109 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000554509709 306193858 /nfs/dbraw/zinc/19/38/58/306193858.db2.gz HGEYKDXRNICKFA-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000556952370 306221829 /nfs/dbraw/zinc/22/18/29/306221829.db2.gz OPHMNMQANCSCCQ-AEFFLSMTSA-N 2 1 346.475 1.810 20 0 EDADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)c(Cl)c1 ZINC000414978642 447381977 /nfs/dbraw/zinc/38/19/77/447381977.db2.gz SCDILBYFGTUHMO-UONOGXRCSA-N 2 1 338.883 1.859 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000426067511 447385042 /nfs/dbraw/zinc/38/50/42/447385042.db2.gz SBJIIYJEBRVLDJ-JYJNAYRXSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000426067511 447385049 /nfs/dbraw/zinc/38/50/49/447385049.db2.gz SBJIIYJEBRVLDJ-JYJNAYRXSA-N 2 1 338.496 1.364 20 0 EDADMP CC[C@@H](C(=O)NCC[NH+]1CCC(O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000456580554 447416353 /nfs/dbraw/zinc/41/63/53/447416353.db2.gz IWKGGZCGTXRUNY-SFHVURJKSA-N 2 1 333.476 1.470 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415420087 447417359 /nfs/dbraw/zinc/41/73/59/447417359.db2.gz WBZMMWZPJUZPRF-LLVKDONJSA-N 2 1 340.855 1.312 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C1 ZINC000494017298 447423428 /nfs/dbraw/zinc/42/34/28/447423428.db2.gz MCMDSMULLZKHAK-NEWSRXKRSA-N 2 1 345.487 1.875 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C1 ZINC000494017298 447423437 /nfs/dbraw/zinc/42/34/37/447423437.db2.gz MCMDSMULLZKHAK-NEWSRXKRSA-N 2 1 345.487 1.875 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000494017298 447423444 /nfs/dbraw/zinc/42/34/44/447423444.db2.gz MCMDSMULLZKHAK-NEWSRXKRSA-N 2 1 345.487 1.875 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000494017298 447423449 /nfs/dbraw/zinc/42/34/49/447423449.db2.gz MCMDSMULLZKHAK-NEWSRXKRSA-N 2 1 345.487 1.875 20 0 EDADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000080645527 441186153 /nfs/dbraw/zinc/18/61/53/441186153.db2.gz NZRDSSLLPZYWFA-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000101638450 441159036 /nfs/dbraw/zinc/15/90/36/441159036.db2.gz SPGVMTDTVHPNNN-IRXDYDNUSA-N 2 1 344.503 1.185 20 0 EDADMP C[C@@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000101638450 441159038 /nfs/dbraw/zinc/15/90/38/441159038.db2.gz SPGVMTDTVHPNNN-IRXDYDNUSA-N 2 1 344.503 1.185 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000105125242 441235705 /nfs/dbraw/zinc/23/57/05/441235705.db2.gz XWBIPDKPAKHDIQ-MRXNPFEDSA-N 2 1 341.544 1.384 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000105125242 441235708 /nfs/dbraw/zinc/23/57/08/441235708.db2.gz XWBIPDKPAKHDIQ-MRXNPFEDSA-N 2 1 341.544 1.384 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000073034073 441287186 /nfs/dbraw/zinc/28/71/86/441287186.db2.gz GURFYCUISUEOLP-HKUYNNGSSA-N 2 1 344.503 1.576 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000073102203 441293257 /nfs/dbraw/zinc/29/32/57/441293257.db2.gz CMKAFRHBZMXJHO-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000073102203 441293260 /nfs/dbraw/zinc/29/32/60/441293260.db2.gz CMKAFRHBZMXJHO-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000073102203 441293264 /nfs/dbraw/zinc/29/32/64/441293264.db2.gz CMKAFRHBZMXJHO-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000073102203 441293269 /nfs/dbraw/zinc/29/32/69/441293269.db2.gz CMKAFRHBZMXJHO-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000073593693 441329220 /nfs/dbraw/zinc/32/92/20/441329220.db2.gz FHSSLDZSMLMNSL-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081724664 441304966 /nfs/dbraw/zinc/30/49/66/441304966.db2.gz KQXQBHVQEXIZKX-ROUUACIJSA-N 3 1 338.540 1.593 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000073930624 441369944 /nfs/dbraw/zinc/36/99/44/441369944.db2.gz QPHZLZBHNPTCBP-HKUYNNGSSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000073930624 441369949 /nfs/dbraw/zinc/36/99/49/441369949.db2.gz QPHZLZBHNPTCBP-HKUYNNGSSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000073930624 441369951 /nfs/dbraw/zinc/36/99/51/441369951.db2.gz QPHZLZBHNPTCBP-HKUYNNGSSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000073930624 441369955 /nfs/dbraw/zinc/36/99/55/441369955.db2.gz QPHZLZBHNPTCBP-HKUYNNGSSA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000074855650 441473359 /nfs/dbraw/zinc/47/33/59/441473359.db2.gz XWHTVKJOTRGGQY-DLBZAZTESA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000074855650 441473363 /nfs/dbraw/zinc/47/33/63/441473363.db2.gz XWHTVKJOTRGGQY-DLBZAZTESA-N 2 1 338.496 1.365 20 0 EDADMP CCC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)CC1CC1 ZINC000052891100 441484051 /nfs/dbraw/zinc/48/40/51/441484051.db2.gz HVLKJCUSYLWOIP-KRWDZBQOSA-N 2 1 325.497 1.581 20 0 EDADMP CCC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CC1CC1 ZINC000052891100 441484053 /nfs/dbraw/zinc/48/40/53/441484053.db2.gz HVLKJCUSYLWOIP-KRWDZBQOSA-N 2 1 325.497 1.581 20 0 EDADMP CCC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)CC1CC1 ZINC000052891100 441484056 /nfs/dbraw/zinc/48/40/56/441484056.db2.gz HVLKJCUSYLWOIP-KRWDZBQOSA-N 2 1 325.497 1.581 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000108541083 441461651 /nfs/dbraw/zinc/46/16/51/441461651.db2.gz FJRRXXYXNOKPLU-QZTJIDSGSA-N 2 1 332.492 1.800 20 0 EDADMP COc1ccc([C@@H](NC(=O)[C@@H]2CCCN2C)c2nccn2C)cc1 ZINC000110046075 441513313 /nfs/dbraw/zinc/51/33/13/441513313.db2.gz DLGOMJJFTZNZMQ-JKSUJKDBSA-N 2 1 328.416 1.729 20 0 EDADMP Cc1cc(NC(=O)CC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC000109751416 441505086 /nfs/dbraw/zinc/50/50/86/441505086.db2.gz FWSVBLIPQOUUNH-MRXNPFEDSA-N 2 1 349.479 1.414 20 0 EDADMP Cc1cc(NC(=O)CC[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000109751416 441505092 /nfs/dbraw/zinc/50/50/92/441505092.db2.gz FWSVBLIPQOUUNH-MRXNPFEDSA-N 2 1 349.479 1.414 20 0 EDADMP CC[NH+](CC)Cc1ccc(CNC(=O)CN2CC[NH+](C)CC2)cc1 ZINC000109934758 441511399 /nfs/dbraw/zinc/51/13/99/441511399.db2.gz DTWVZQNFXVKMQA-UHFFFAOYSA-N 2 1 332.492 1.392 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000066917271 441586353 /nfs/dbraw/zinc/58/63/53/441586353.db2.gz HVCOPXZVUSKAIS-ULQDDVLXSA-N 2 1 343.512 1.205 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000066917271 441586355 /nfs/dbraw/zinc/58/63/55/441586355.db2.gz HVCOPXZVUSKAIS-ULQDDVLXSA-N 2 1 343.512 1.205 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cnccn1 ZINC000090038730 441616621 /nfs/dbraw/zinc/61/66/21/441616621.db2.gz MAOMXAYPXPPVCR-AWEZNQCLSA-N 2 1 327.432 1.619 20 0 EDADMP COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113512453 441613251 /nfs/dbraw/zinc/61/32/51/441613251.db2.gz QAURSWIBAOJESK-HOCLYGCPSA-N 2 1 336.432 1.096 20 0 EDADMP COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113512453 441613253 /nfs/dbraw/zinc/61/32/53/441613253.db2.gz QAURSWIBAOJESK-HOCLYGCPSA-N 2 1 336.432 1.096 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)(C)O ZINC000114727590 441679344 /nfs/dbraw/zinc/67/93/44/441679344.db2.gz LCYPZWLMXDIWIP-UHFFFAOYSA-N 2 1 333.476 1.601 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]([C@@H](C)C2CC2)C2CC2)C1 ZINC000042123552 441707943 /nfs/dbraw/zinc/70/79/43/441707943.db2.gz XADDLJDHSBDQDE-YJBOKZPZSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]([C@@H](C)C2CC2)C2CC2)C1 ZINC000042123552 441707954 /nfs/dbraw/zinc/70/79/54/441707954.db2.gz XADDLJDHSBDQDE-YJBOKZPZSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]([C@@H](C)C2CC2)C2CC2)C1 ZINC000042123552 441707962 /nfs/dbraw/zinc/70/79/62/441707962.db2.gz XADDLJDHSBDQDE-YJBOKZPZSA-N 2 1 337.508 1.722 20 0 EDADMP CN(C)C(=O)c1cccc(NC(=O)CN(C)CCCn2ccnc2)c1 ZINC000124267769 441914096 /nfs/dbraw/zinc/91/40/96/441914096.db2.gz UODPHDFRMLAAQF-UHFFFAOYSA-N 2 1 343.431 1.546 20 0 EDADMP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000118106261 441887427 /nfs/dbraw/zinc/88/74/27/441887427.db2.gz AEISUTGPSQNVDH-KRWDZBQOSA-N 2 1 346.475 1.677 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCN(C)c3ccccc3C2)CC1 ZINC000069089703 441888250 /nfs/dbraw/zinc/88/82/50/441888250.db2.gz FLESJHDYYZJFJZ-UHFFFAOYSA-N 2 1 330.476 1.539 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCN(C)c3ccccc3C2)CC1 ZINC000069089703 441888255 /nfs/dbraw/zinc/88/82/55/441888255.db2.gz FLESJHDYYZJFJZ-UHFFFAOYSA-N 2 1 330.476 1.539 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NCCN2CCOC(C)(C)C2)CC[N@H+]1C ZINC000174549138 441937181 /nfs/dbraw/zinc/93/71/81/441937181.db2.gz MTWCAAWIAJJOEU-GJZGRUSLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H](C(=O)NCc1ccccc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715798 441957974 /nfs/dbraw/zinc/95/79/74/441957974.db2.gz YMIDCMSEMILFEF-KRWDZBQOSA-N 2 1 332.492 1.261 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000125304163 442006923 /nfs/dbraw/zinc/00/69/23/442006923.db2.gz ZKTMXURSLINFRZ-SJLPKXTDSA-N 2 1 330.476 1.408 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC000125304163 442006930 /nfs/dbraw/zinc/00/69/30/442006930.db2.gz ZKTMXURSLINFRZ-SJLPKXTDSA-N 2 1 330.476 1.408 20 0 EDADMP Cc1cc(N2CC[C@H]([N@H+](C)CCCn3cc[nH+]c3C)C2=O)n(C)n1 ZINC000120291692 442043966 /nfs/dbraw/zinc/04/39/66/442043966.db2.gz TXLFOQOKGQGXAL-HNNXBMFYSA-N 2 1 330.436 1.361 20 0 EDADMP Cc1cc(N2CC[C@H]([N@@H+](C)CCCn3cc[nH+]c3C)C2=O)n(C)n1 ZINC000120291692 442043969 /nfs/dbraw/zinc/04/39/69/442043969.db2.gz TXLFOQOKGQGXAL-HNNXBMFYSA-N 2 1 330.436 1.361 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000175368575 442051654 /nfs/dbraw/zinc/05/16/54/442051654.db2.gz OYDDQKRXBRWCNX-KRWDZBQOSA-N 2 1 348.495 1.122 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000175368575 442051660 /nfs/dbraw/zinc/05/16/60/442051660.db2.gz OYDDQKRXBRWCNX-KRWDZBQOSA-N 2 1 348.495 1.122 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000175368575 442051665 /nfs/dbraw/zinc/05/16/65/442051665.db2.gz OYDDQKRXBRWCNX-KRWDZBQOSA-N 2 1 348.495 1.122 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000175368575 442051671 /nfs/dbraw/zinc/05/16/71/442051671.db2.gz OYDDQKRXBRWCNX-KRWDZBQOSA-N 2 1 348.495 1.122 20 0 EDADMP CO[C@@H](C)c1noc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)n1 ZINC000162188172 442071261 /nfs/dbraw/zinc/07/12/61/442071261.db2.gz UAVDKDOAWBQNMS-ZDUSSCGKSA-N 2 1 325.457 1.235 20 0 EDADMP CO[C@@H](C)c1noc(CN(C)CCN(C)C2CC[NH+](C)CC2)n1 ZINC000162188172 442071265 /nfs/dbraw/zinc/07/12/65/442071265.db2.gz UAVDKDOAWBQNMS-ZDUSSCGKSA-N 2 1 325.457 1.235 20 0 EDADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000162682035 442114226 /nfs/dbraw/zinc/11/42/26/442114226.db2.gz AACBASGKFQHLSI-UKBAYJJMSA-N 2 1 345.487 1.780 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000162806699 442123667 /nfs/dbraw/zinc/12/36/67/442123667.db2.gz HNKPIKNKYAONTP-MSOLQXFVSA-N 2 1 333.476 1.911 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000162806699 442123670 /nfs/dbraw/zinc/12/36/70/442123670.db2.gz HNKPIKNKYAONTP-MSOLQXFVSA-N 2 1 333.476 1.911 20 0 EDADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000175845982 442133754 /nfs/dbraw/zinc/13/37/54/442133754.db2.gz MLMWAFCAFBWAKP-DOTOQJQBSA-N 2 1 331.464 1.850 20 0 EDADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000175845982 442133757 /nfs/dbraw/zinc/13/37/57/442133757.db2.gz MLMWAFCAFBWAKP-DOTOQJQBSA-N 2 1 331.464 1.850 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CC3=CCCOC3)c2)C1 ZINC000127159966 442176797 /nfs/dbraw/zinc/17/67/97/442176797.db2.gz NJYLFBKUNSJQAE-LJQANCHMSA-N 2 1 343.471 1.820 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000176023869 442162783 /nfs/dbraw/zinc/16/27/83/442162783.db2.gz AOJRENWNFDJHPO-BRSBDYLESA-N 2 1 339.524 1.874 20 0 EDADMP CCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000166762342 442218445 /nfs/dbraw/zinc/21/84/45/442218445.db2.gz DVJAVCYAHLZIQK-OAHLLOKOSA-N 2 1 332.448 1.530 20 0 EDADMP CCC[NH+]1CCC(N2CCN(C(=O)C[N@@H+](CC)C3CC3)CC2)CC1 ZINC000152525993 442223079 /nfs/dbraw/zinc/22/30/79/442223079.db2.gz SPKZDYBFPVNVKU-UHFFFAOYSA-N 2 1 336.524 1.489 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NC(=O)NCCN2CCOCC2(C)C)[C@@H](C)C1 ZINC000176583893 442236886 /nfs/dbraw/zinc/23/68/86/442236886.db2.gz QQGRVHNCCGEDTG-GJZGRUSLSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176635218 442242922 /nfs/dbraw/zinc/24/29/22/442242922.db2.gz NGRCDTGGRNWNCN-IRXDYDNUSA-N 2 1 340.512 1.611 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N(C)CC[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000176896319 442268765 /nfs/dbraw/zinc/26/87/65/442268765.db2.gz OBFDMIBBQCBLBI-UHFFFAOYSA-N 2 1 334.468 1.265 20 0 EDADMP O=C([C@@H]1CCCC[NH2+]1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000153286747 442273242 /nfs/dbraw/zinc/27/32/42/442273242.db2.gz WWRUGCUVCLCQSI-ZDUSSCGKSA-N 2 1 337.386 1.242 20 0 EDADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154241428 442328766 /nfs/dbraw/zinc/32/87/66/442328766.db2.gz HWWMZUUBRKIZLZ-BBRMVZONSA-N 2 1 341.883 1.589 20 0 EDADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154336498 442333633 /nfs/dbraw/zinc/33/36/33/442333633.db2.gz MQWAMRIZLQJQQQ-WCQYABFASA-N 2 1 343.855 1.578 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000177842098 442389894 /nfs/dbraw/zinc/38/98/94/442389894.db2.gz RUXQOBWXLGDLJX-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000132396449 442392695 /nfs/dbraw/zinc/39/26/95/442392695.db2.gz QLMFOZXKYYASEF-CVEARBPZSA-N 2 1 341.496 1.678 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000178805298 442489898 /nfs/dbraw/zinc/48/98/98/442489898.db2.gz RPCFOYSZSNUORI-INIZCTEOSA-N 2 1 344.503 1.633 20 0 EDADMP CC[C@]1(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC[NH2+]1 ZINC000134584101 442497670 /nfs/dbraw/zinc/49/76/70/442497670.db2.gz UCIMCUOZQRNJQB-JTDSTZFVSA-N 2 1 337.508 1.866 20 0 EDADMP CC[C@@]1(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000134586023 442499201 /nfs/dbraw/zinc/49/92/01/442499201.db2.gz RIGXLCYRXQFHKJ-SCTDSRPQSA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000178728310 442465104 /nfs/dbraw/zinc/46/51/04/442465104.db2.gz QRFLHMWIPPMPGX-GOSISDBHSA-N 2 1 332.492 1.119 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)N(C)c3ccccc3)C2)CC1 ZINC000135059460 442551656 /nfs/dbraw/zinc/55/16/56/442551656.db2.gz KUIQXLLEQZGEJC-LJQANCHMSA-N 2 1 344.503 1.751 20 0 EDADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000191788852 442511297 /nfs/dbraw/zinc/51/12/97/442511297.db2.gz GTVNAXYDISKCKL-ZBFHGGJFSA-N 2 1 339.480 1.106 20 0 EDADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000191788852 442511300 /nfs/dbraw/zinc/51/13/00/442511300.db2.gz GTVNAXYDISKCKL-ZBFHGGJFSA-N 2 1 339.480 1.106 20 0 EDADMP CCC(CC)[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000186738492 442604140 /nfs/dbraw/zinc/60/41/40/442604140.db2.gz FIQNXWQYMVXJNH-QGZVFWFLSA-N 2 1 325.497 1.676 20 0 EDADMP CCC(CC)[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000186738492 442604142 /nfs/dbraw/zinc/60/41/42/442604142.db2.gz FIQNXWQYMVXJNH-QGZVFWFLSA-N 2 1 325.497 1.676 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N2CCC(C)CC2)[C@H](C)C1 ZINC000187018958 442645731 /nfs/dbraw/zinc/64/57/31/442645731.db2.gz GCEHECPSDSBQGW-QZTJIDSGSA-N 2 1 339.524 1.972 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)N2CCC(C)CC2)[C@H](C)C1 ZINC000187018958 442645735 /nfs/dbraw/zinc/64/57/35/442645735.db2.gz GCEHECPSDSBQGW-QZTJIDSGSA-N 2 1 339.524 1.972 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000187138486 442654943 /nfs/dbraw/zinc/65/49/43/442654943.db2.gz PUAPZJJDMBDWCO-MRXNPFEDSA-N 2 1 348.491 1.047 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000187138486 442654945 /nfs/dbraw/zinc/65/49/45/442654945.db2.gz PUAPZJJDMBDWCO-MRXNPFEDSA-N 2 1 348.491 1.047 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000187138486 442654946 /nfs/dbraw/zinc/65/49/46/442654946.db2.gz PUAPZJJDMBDWCO-MRXNPFEDSA-N 2 1 348.491 1.047 20 0 EDADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCC[N@H+](C3CCCC3)CC2)C1(C)C ZINC000188151790 442717334 /nfs/dbraw/zinc/71/73/34/442717334.db2.gz BTQNTBQJVYPPKT-QFBILLFUSA-N 2 1 337.508 1.996 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)CC(=O)NCC(=O)OC(C)(C)C ZINC000181919382 442721826 /nfs/dbraw/zinc/72/18/26/442721826.db2.gz GICFCUFLQOMUNQ-AWEZNQCLSA-N 2 1 327.469 1.251 20 0 EDADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCN(C(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000181716795 442712086 /nfs/dbraw/zinc/71/20/86/442712086.db2.gz RZAXXZDRLGQDLS-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000182347767 442759183 /nfs/dbraw/zinc/75/91/83/442759183.db2.gz OGUHHIBBWOGXGB-SJORKVTESA-N 2 1 338.496 1.225 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CCOC)CC2)[C@@H](C)C1 ZINC000246395865 442778912 /nfs/dbraw/zinc/77/89/12/442778912.db2.gz JPEBXSWDIRIZDJ-RDJZCZTQSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000188653831 442780403 /nfs/dbraw/zinc/78/04/03/442780403.db2.gz ULRGZARHIVXSRN-JONQDZQNSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000188653831 442780405 /nfs/dbraw/zinc/78/04/05/442780405.db2.gz ULRGZARHIVXSRN-JONQDZQNSA-N 2 1 325.497 1.551 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000193758618 442781993 /nfs/dbraw/zinc/78/19/93/442781993.db2.gz LZKOZOWOMWLXPK-KRWDZBQOSA-N 2 1 340.512 1.472 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000193758618 442781994 /nfs/dbraw/zinc/78/19/94/442781994.db2.gz LZKOZOWOMWLXPK-KRWDZBQOSA-N 2 1 340.512 1.472 20 0 EDADMP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000268080590 442839173 /nfs/dbraw/zinc/83/91/73/442839173.db2.gz DBFVHWTXPNXMMO-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000268080590 442839176 /nfs/dbraw/zinc/83/91/76/442839176.db2.gz DBFVHWTXPNXMMO-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)/C=C/C[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000265682667 442878377 /nfs/dbraw/zinc/87/83/77/442878377.db2.gz WGLXMOKNPZYWPS-BQHJZSHBSA-N 2 1 344.503 1.599 20 0 EDADMP C[NH+](C)C/C=C/C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000265682667 442878382 /nfs/dbraw/zinc/87/83/82/442878382.db2.gz WGLXMOKNPZYWPS-BQHJZSHBSA-N 2 1 344.503 1.599 20 0 EDADMP C[NH+](C)C/C=C/C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000265682667 442878386 /nfs/dbraw/zinc/87/83/86/442878386.db2.gz WGLXMOKNPZYWPS-BQHJZSHBSA-N 2 1 344.503 1.599 20 0 EDADMP C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000183222275 442907277 /nfs/dbraw/zinc/90/72/77/442907277.db2.gz UPQGEPIKIIRKJE-APWZRJJASA-N 2 1 345.487 1.601 20 0 EDADMP O=C(NCCN1CCCOCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000189443039 442954632 /nfs/dbraw/zinc/95/46/32/442954632.db2.gz WZLRWAPAVWKTOH-LJQANCHMSA-N 2 1 345.487 1.880 20 0 EDADMP CCN(CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183767798 442962962 /nfs/dbraw/zinc/96/29/62/442962962.db2.gz WWRSWVJENXXZFV-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP CCN(CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183767798 442962964 /nfs/dbraw/zinc/96/29/64/442962964.db2.gz WWRSWVJENXXZFV-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP C[NH+](C)C1CC[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000195355269 443012857 /nfs/dbraw/zinc/01/28/57/443012857.db2.gz PFHZQBWWNMZSHO-UHFFFAOYSA-N 2 1 345.491 1.146 20 0 EDADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000266112307 443022074 /nfs/dbraw/zinc/02/20/74/443022074.db2.gz GHWUNFKBSCLZJI-GOSISDBHSA-N 2 1 333.476 1.688 20 0 EDADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000266112307 443022078 /nfs/dbraw/zinc/02/20/78/443022078.db2.gz GHWUNFKBSCLZJI-GOSISDBHSA-N 2 1 333.476 1.688 20 0 EDADMP CCNC(=O)NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184754666 443072579 /nfs/dbraw/zinc/07/25/79/443072579.db2.gz ZFEUURKJHUWOSW-GJZGRUSLSA-N 2 1 346.475 1.578 20 0 EDADMP Cn1cc([C@@H](O)C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000268877969 443134753 /nfs/dbraw/zinc/13/47/53/443134753.db2.gz JKGWNJDOCZGDFF-IBGZPJMESA-N 2 1 346.450 1.889 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268793080 443109788 /nfs/dbraw/zinc/10/97/88/443109788.db2.gz CLUMAJTVYXMWSQ-MJGOQNOKSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000268793080 443109793 /nfs/dbraw/zinc/10/97/93/443109793.db2.gz CLUMAJTVYXMWSQ-MJGOQNOKSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@@H]1C ZINC000185573673 443221544 /nfs/dbraw/zinc/22/15/44/443221544.db2.gz HTWCDGXIDXFJOB-LSDHHAIUSA-N 2 1 340.512 1.346 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)CCCCO)cc[nH+]1 ZINC000411616715 319189026 /nfs/dbraw/zinc/18/90/26/319189026.db2.gz SNJNONXJKAUFNI-KBPBESRZSA-N 2 1 325.432 1.164 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)CCCCO)cc[nH+]1 ZINC000411616715 319189027 /nfs/dbraw/zinc/18/90/27/319189027.db2.gz SNJNONXJKAUFNI-KBPBESRZSA-N 2 1 325.432 1.164 20 0 EDADMP COCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCO[C@@H]1C ZINC000411658873 319192978 /nfs/dbraw/zinc/19/29/78/319192978.db2.gz XOSPHXFMZQDYFU-NVXWUHKLSA-N 2 1 341.496 1.101 20 0 EDADMP COCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCO[C@@H]1C ZINC000411658873 319192981 /nfs/dbraw/zinc/19/29/81/319192981.db2.gz XOSPHXFMZQDYFU-NVXWUHKLSA-N 2 1 341.496 1.101 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000269256419 443253865 /nfs/dbraw/zinc/25/38/65/443253865.db2.gz KCQOQBQAYHQWMK-IKGGRYGDSA-N 2 1 345.491 1.226 20 0 EDADMP C[C@@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[N@@H+](C)C1CC1 ZINC000411988977 319219526 /nfs/dbraw/zinc/21/95/26/319219526.db2.gz WVWHQQMVLJTPQL-BBRMVZONSA-N 2 1 325.522 1.803 20 0 EDADMP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000269261890 443255837 /nfs/dbraw/zinc/25/58/37/443255837.db2.gz WIFOHNGOKSKMMN-LSDHHAIUSA-N 2 1 337.489 1.455 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413849681 319293531 /nfs/dbraw/zinc/29/35/31/319293531.db2.gz YBZIOTAFNJMMDP-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413849681 319293532 /nfs/dbraw/zinc/29/35/32/319293532.db2.gz YBZIOTAFNJMMDP-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000413859953 319294964 /nfs/dbraw/zinc/29/49/64/319294964.db2.gz NSKXOZLOSNPVLH-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414188394 319318286 /nfs/dbraw/zinc/31/82/86/319318286.db2.gz QQKBATOEXHMFCG-GJZGRUSLSA-N 2 1 339.505 1.977 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC000414671882 319339496 /nfs/dbraw/zinc/33/94/96/319339496.db2.gz GWUBIFZDIQJVIY-WBVHZDCISA-N 2 1 333.501 1.974 20 0 EDADMP COc1cccc([C@H]2C[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CCO2)c1 ZINC000414690628 319342728 /nfs/dbraw/zinc/34/27/28/319342728.db2.gz HWYASAGPAJBNQJ-CRAIPNDOSA-N 2 1 347.459 1.266 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415237137 319355270 /nfs/dbraw/zinc/35/52/70/319355270.db2.gz HTKWVUHDFPVKCG-CQSZACIVSA-N 2 1 334.464 1.581 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000415938271 319383665 /nfs/dbraw/zinc/38/36/65/319383665.db2.gz YREGHCZMFCXQNE-UHFFFAOYSA-N 2 1 347.507 1.944 20 0 EDADMP [NH3+]CC[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000415996182 319388377 /nfs/dbraw/zinc/38/83/77/319388377.db2.gz OMPVPDUECBEMEB-KBPBESRZSA-N 2 1 344.381 1.840 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246221242 443280715 /nfs/dbraw/zinc/28/07/15/443280715.db2.gz DHVOHSIZCXIXJU-SJORKVTESA-N 2 1 334.464 1.683 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246221242 443280720 /nfs/dbraw/zinc/28/07/20/443280720.db2.gz DHVOHSIZCXIXJU-SJORKVTESA-N 2 1 334.464 1.683 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@H](C)CCCC[NH3+])[NH+]1CCOCC1 ZINC000416933668 319477959 /nfs/dbraw/zinc/47/79/59/319477959.db2.gz BHUGNHQZQLZLBJ-HZPDHXFCSA-N 2 1 328.501 1.550 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[NH+]1CCOCC1 ZINC000416936731 319478448 /nfs/dbraw/zinc/47/84/48/319478448.db2.gz IKYAWIJYTUAIRD-BRWVUGGUSA-N 2 1 340.512 1.408 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC1([NH3+])CCCCCC1)[NH+]1CCOCC1 ZINC000416938052 319479136 /nfs/dbraw/zinc/47/91/36/319479136.db2.gz KIGNMLVLABHQBE-INIZCTEOSA-N 2 1 340.512 1.694 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000264577593 443333442 /nfs/dbraw/zinc/33/34/42/443333442.db2.gz ZFWNTNQSLWMELO-QFBILLFUSA-N 2 1 345.487 1.817 20 0 EDADMP C[C@H](O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272490579 443337733 /nfs/dbraw/zinc/33/77/33/443337733.db2.gz CCGRYVICRJNSGO-DKKFBQAASA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](O)[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272490579 443337736 /nfs/dbraw/zinc/33/77/36/443337736.db2.gz CCGRYVICRJNSGO-DKKFBQAASA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](O)[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272490579 443337740 /nfs/dbraw/zinc/33/77/40/443337740.db2.gz CCGRYVICRJNSGO-DKKFBQAASA-N 2 1 345.487 1.468 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000267503160 443479355 /nfs/dbraw/zinc/47/93/55/443479355.db2.gz JOSDFHWLTJBZOS-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000267503160 443479358 /nfs/dbraw/zinc/47/93/58/443479358.db2.gz JOSDFHWLTJBZOS-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH+]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000267460288 443465386 /nfs/dbraw/zinc/46/53/86/443465386.db2.gz VWDRGLGWOFXXKK-UHFFFAOYSA-N 2 1 346.475 1.100 20 0 EDADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000283074678 443514860 /nfs/dbraw/zinc/51/48/60/443514860.db2.gz KHNNYSGGHQKZQC-SFHVURJKSA-N 2 1 330.476 1.727 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000283074678 443514863 /nfs/dbraw/zinc/51/48/63/443514863.db2.gz KHNNYSGGHQKZQC-SFHVURJKSA-N 2 1 330.476 1.727 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000283074678 443514865 /nfs/dbraw/zinc/51/48/65/443514865.db2.gz KHNNYSGGHQKZQC-SFHVURJKSA-N 2 1 330.476 1.727 20 0 EDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423504241 319780168 /nfs/dbraw/zinc/78/01/68/319780168.db2.gz FUINAGMYEUNOMZ-ZIAGYGMSSA-N 2 1 338.293 1.800 20 0 EDADMP C[C@H]([NH3+])CCC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000423738557 319808874 /nfs/dbraw/zinc/80/88/74/319808874.db2.gz UVXHPLDOERARIH-INIZCTEOSA-N 2 1 334.464 1.260 20 0 EDADMP C[N@@H+](CC1OCCO1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000272291184 443581917 /nfs/dbraw/zinc/58/19/17/443581917.db2.gz PEEVMJOBDDSPHT-SFHVURJKSA-N 2 1 334.460 1.737 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000265377198 443622030 /nfs/dbraw/zinc/62/20/30/443622030.db2.gz ZWLQZGYMSWYCFL-LJQANCHMSA-N 2 1 344.503 1.529 20 0 EDADMP CC1(C)C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1O ZINC000279943544 443646893 /nfs/dbraw/zinc/64/68/93/443646893.db2.gz XKQPNCMWCAQKLE-GOSISDBHSA-N 2 1 345.487 1.601 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000440272863 320067957 /nfs/dbraw/zinc/06/79/57/320067957.db2.gz QACQHGYDDRZOMP-WMZOPIPTSA-N 2 1 335.492 1.574 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)n1C ZINC000440875716 320085401 /nfs/dbraw/zinc/08/54/01/320085401.db2.gz OQXDPJFWTVQBJV-UHFFFAOYSA-N 2 1 336.484 1.406 20 0 EDADMP CCn1nnc(C)c1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000449224779 320179704 /nfs/dbraw/zinc/17/97/04/320179704.db2.gz MRWVNWMWLCXADT-UHFFFAOYSA-N 2 1 329.452 1.772 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000449717609 320201671 /nfs/dbraw/zinc/20/16/71/320201671.db2.gz DUWITLPFNPCSBD-SZMVWBNQSA-N 2 1 330.476 1.219 20 0 EDADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000453403876 320263495 /nfs/dbraw/zinc/26/34/95/320263495.db2.gz OZMLEFLXXKBTKV-ZDUSSCGKSA-N 2 1 325.478 1.859 20 0 EDADMP CSC1(CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC[NH+](C)CC1 ZINC000454965487 320297683 /nfs/dbraw/zinc/29/76/83/320297683.db2.gz DUIVVANQHVBXKM-UONOGXRCSA-N 2 1 326.510 1.159 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000457702132 320332321 /nfs/dbraw/zinc/33/23/21/320332321.db2.gz BJVVTRUBCUIESN-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000458596595 320337811 /nfs/dbraw/zinc/33/78/11/320337811.db2.gz OFPGSSHPCXRLOD-QGZVFWFLSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCCOCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000471647402 320352994 /nfs/dbraw/zinc/35/29/94/320352994.db2.gz GVUFNHKQCSCHTM-WMZOPIPTSA-N 2 1 348.491 1.527 20 0 EDADMP CC[C@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000276461499 443715099 /nfs/dbraw/zinc/71/50/99/443715099.db2.gz AGMIIOKKZCPFPX-IBGZPJMESA-N 2 1 345.487 1.558 20 0 EDADMP CC[C@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000276461499 443715101 /nfs/dbraw/zinc/71/51/01/443715101.db2.gz AGMIIOKKZCPFPX-IBGZPJMESA-N 2 1 345.487 1.558 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)n1C ZINC000531200929 320651059 /nfs/dbraw/zinc/65/10/59/320651059.db2.gz IBUAHDGEVQCIKD-OAHLLOKOSA-N 2 1 348.495 1.646 20 0 EDADMP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000276981410 443883577 /nfs/dbraw/zinc/88/35/77/443883577.db2.gz AELBKPMAAJIVGD-IZZQQSIFSA-N 2 1 345.487 1.565 20 0 EDADMP O=C(CC[N@@H+]1CCC[C@@H](CO)CC1)N1CCN(c2ccccn2)CC1 ZINC000292980170 443894432 /nfs/dbraw/zinc/89/44/32/443894432.db2.gz BGOAIPRWJNANQX-QGZVFWFLSA-N 2 1 346.475 1.215 20 0 EDADMP C[N@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000298905427 443898793 /nfs/dbraw/zinc/89/87/93/443898793.db2.gz BWGWYQIMHQFCDS-UHFFFAOYSA-N 2 1 331.464 1.393 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3COc4ccccc43)cn2)CC1 ZINC000288412272 443872676 /nfs/dbraw/zinc/87/26/76/443872676.db2.gz APLBQVOESLVYON-INIZCTEOSA-N 2 1 339.443 1.494 20 0 EDADMP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000281627795 443963382 /nfs/dbraw/zinc/96/33/82/443963382.db2.gz CVXUQALMWQOALY-ROUUACIJSA-N 2 1 331.460 1.475 20 0 EDADMP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000281627795 443963385 /nfs/dbraw/zinc/96/33/85/443963385.db2.gz CVXUQALMWQOALY-ROUUACIJSA-N 2 1 331.460 1.475 20 0 EDADMP C[N@H+](CCN1C(=O)c2ccccc2C1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285466291 443995323 /nfs/dbraw/zinc/99/53/23/443995323.db2.gz KBOLNDPKCMAJQS-YIONKMFJSA-N 2 1 327.428 1.840 20 0 EDADMP C[N@@H+](CCN1C(=O)c2ccccc2C1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285466291 443995326 /nfs/dbraw/zinc/99/53/26/443995326.db2.gz KBOLNDPKCMAJQS-YIONKMFJSA-N 2 1 327.428 1.840 20 0 EDADMP C[NH+](CCN1C(=O)c2ccccc2C1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285466291 443995330 /nfs/dbraw/zinc/99/53/30/443995330.db2.gz KBOLNDPKCMAJQS-YIONKMFJSA-N 2 1 327.428 1.840 20 0 EDADMP C[NH+](CCN1C(=O)c2ccccc2C1=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285466291 443995334 /nfs/dbraw/zinc/99/53/34/443995334.db2.gz KBOLNDPKCMAJQS-YIONKMFJSA-N 2 1 327.428 1.840 20 0 EDADMP C[C@@H](C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000281891000 444032849 /nfs/dbraw/zinc/03/28/49/444032849.db2.gz YEEBMHKIIGNXOQ-KRWDZBQOSA-N 2 1 346.519 1.649 20 0 EDADMP C[C@@H](C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+](C)Cc1ccccc1 ZINC000281891000 444032853 /nfs/dbraw/zinc/03/28/53/444032853.db2.gz YEEBMHKIIGNXOQ-KRWDZBQOSA-N 2 1 346.519 1.649 20 0 EDADMP C[C@@H](C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+](C)Cc1ccccc1 ZINC000281891000 444032855 /nfs/dbraw/zinc/03/28/55/444032855.db2.gz YEEBMHKIIGNXOQ-KRWDZBQOSA-N 2 1 346.519 1.649 20 0 EDADMP C[NH2+][C@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1cnn(C)c1 ZINC000285691108 444074956 /nfs/dbraw/zinc/07/49/56/444074956.db2.gz AWCXENAFERVCRO-PBHICJAKSA-N 2 1 343.475 1.926 20 0 EDADMP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H](C)[N@H+]1C ZINC000293651837 444080088 /nfs/dbraw/zinc/08/00/88/444080088.db2.gz VCJQTWGYRRJJSI-OKILXGFUSA-N 2 1 332.448 1.238 20 0 EDADMP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H](C)[N@@H+]1C ZINC000293651837 444080093 /nfs/dbraw/zinc/08/00/93/444080093.db2.gz VCJQTWGYRRJJSI-OKILXGFUSA-N 2 1 332.448 1.238 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000299485649 444059743 /nfs/dbraw/zinc/05/97/43/444059743.db2.gz IDGFHCPFADTBTP-HNNXBMFYSA-N 2 1 331.420 1.921 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000561188117 321035976 /nfs/dbraw/zinc/03/59/76/321035976.db2.gz IPWQHECRZBSDRP-NXHRZFHOSA-N 2 1 330.476 1.806 20 0 EDADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000561280050 321038844 /nfs/dbraw/zinc/03/88/44/321038844.db2.gz APZNOIIDLQZBKP-YOEHRIQHSA-N 2 1 342.447 1.425 20 0 EDADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000561280050 321038846 /nfs/dbraw/zinc/03/88/46/321038846.db2.gz APZNOIIDLQZBKP-YOEHRIQHSA-N 2 1 342.447 1.425 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000564382186 321128327 /nfs/dbraw/zinc/12/83/27/321128327.db2.gz UPQSNQGNNVKWHY-ZSZQSSIHSA-N 2 1 338.492 1.885 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000564382186 321128328 /nfs/dbraw/zinc/12/83/28/321128328.db2.gz UPQSNQGNNVKWHY-ZSZQSSIHSA-N 2 1 338.492 1.885 20 0 EDADMP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000564382186 321128330 /nfs/dbraw/zinc/12/83/30/321128330.db2.gz UPQSNQGNNVKWHY-ZSZQSSIHSA-N 2 1 338.492 1.885 20 0 EDADMP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000564382186 321128332 /nfs/dbraw/zinc/12/83/32/321128332.db2.gz UPQSNQGNNVKWHY-ZSZQSSIHSA-N 2 1 338.492 1.885 20 0 EDADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000564973872 321162289 /nfs/dbraw/zinc/16/22/89/321162289.db2.gz AEIDDAOQIUPZBR-HUUCEWRRSA-N 2 1 332.366 1.656 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000565167236 321171983 /nfs/dbraw/zinc/17/19/83/321171983.db2.gz XSTJUCQDLYAABB-COXVUDFISA-N 2 1 327.419 1.612 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000565167236 321171984 /nfs/dbraw/zinc/17/19/84/321171984.db2.gz XSTJUCQDLYAABB-COXVUDFISA-N 2 1 327.419 1.612 20 0 EDADMP C[NH+](C)[C@H](CC(=O)NCCCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000565998660 321209290 /nfs/dbraw/zinc/20/92/90/321209290.db2.gz HPAYIZCHZCTNEA-LJQANCHMSA-N 2 1 346.519 1.823 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)NC1CC[NH2+]CC1 ZINC000566056290 321212560 /nfs/dbraw/zinc/21/25/60/321212560.db2.gz MEAXWYQFVJWDFK-UHFFFAOYSA-N 2 1 332.448 1.435 20 0 EDADMP C[C@@H](CNC[C@H](O)C[N@@H+](C)C1CC1)c1nc(-c2ccccc2)no1 ZINC000567726077 321254709 /nfs/dbraw/zinc/25/47/09/321254709.db2.gz YASKEMIDOSRZGR-BBRMVZONSA-N 2 1 330.432 1.885 20 0 EDADMP C[C@@H](C[NH2+]C[C@H](O)CN(C)C1CC1)c1nc(-c2ccccc2)no1 ZINC000567726077 321254711 /nfs/dbraw/zinc/25/47/11/321254711.db2.gz YASKEMIDOSRZGR-BBRMVZONSA-N 2 1 330.432 1.885 20 0 EDADMP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1nc(-c2ccccc2)no1 ZINC000567726077 321254712 /nfs/dbraw/zinc/25/47/12/321254712.db2.gz YASKEMIDOSRZGR-BBRMVZONSA-N 2 1 330.432 1.885 20 0 EDADMP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1nc(-c2ccccc2)no1 ZINC000567726077 321254714 /nfs/dbraw/zinc/25/47/14/321254714.db2.gz YASKEMIDOSRZGR-BBRMVZONSA-N 2 1 330.432 1.885 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000568607601 321298586 /nfs/dbraw/zinc/29/85/86/321298586.db2.gz XFLYTBDYUIVCQV-OWCLPIDISA-N 2 1 340.512 1.563 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000568607601 321298588 /nfs/dbraw/zinc/29/85/88/321298588.db2.gz XFLYTBDYUIVCQV-OWCLPIDISA-N 2 1 340.512 1.563 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000570029545 321334743 /nfs/dbraw/zinc/33/47/43/321334743.db2.gz DRRTZMXTPCYCEB-NXHRZFHOSA-N 2 1 330.476 1.948 20 0 EDADMP O=C1NC(=O)C2(CCC([NH2+]C[C@H]3CCC[N@H+]3C3CCCCC3)CC2)N1 ZINC000570118812 321338449 /nfs/dbraw/zinc/33/84/49/321338449.db2.gz WTOAFLUSFXBHKD-NLGTXKQRSA-N 2 1 348.491 1.894 20 0 EDADMP COCCOc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000289428224 444140046 /nfs/dbraw/zinc/14/00/46/444140046.db2.gz KHHKGIGTVLLVDV-UHFFFAOYSA-N 2 1 335.492 1.781 20 0 EDADMP CC(CC[NH+]1CCc2n[nH]cc2C1)CC[N@H+]1CCc2n[nH]cc2C1 ZINC000299733264 444126928 /nfs/dbraw/zinc/12/69/28/444126928.db2.gz YKJNDKZCYZDZNI-UHFFFAOYSA-N 2 1 328.464 1.966 20 0 EDADMP C[C@@H]1C[NH+](CC2CCN(c3cc[nH+]cc3C(N)=O)CC2)C[C@@H](C)O1 ZINC000302214990 444209337 /nfs/dbraw/zinc/20/93/37/444209337.db2.gz ISEQRFUZKJZDLV-ZIAGYGMSSA-N 2 1 332.448 1.506 20 0 EDADMP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000290290041 444263324 /nfs/dbraw/zinc/26/33/24/444263324.db2.gz XWWBTCDIVJWTJC-RTBURBONSA-N 2 1 345.487 1.769 20 0 EDADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303273731 444236061 /nfs/dbraw/zinc/23/60/61/444236061.db2.gz KIGOPZQHKBVOJR-SJORKVTESA-N 2 1 341.540 1.904 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C[C@@H](C)O)C2CCCCC2)CC1 ZINC000303973438 444238317 /nfs/dbraw/zinc/23/83/17/444238317.db2.gz GWLAFWFDCKLKJN-OAHLLOKOSA-N 2 1 325.497 1.602 20 0 EDADMP O=C(CCCc1ccccc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000577871613 321690462 /nfs/dbraw/zinc/69/04/62/321690462.db2.gz QVXSWDIHFJMSRV-UHFFFAOYSA-N 2 1 344.503 1.059 20 0 EDADMP CC(C)[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000324696339 444356979 /nfs/dbraw/zinc/35/69/79/444356979.db2.gz WAXHGYRIQAZVKI-ROUUACIJSA-N 2 1 332.492 1.465 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)NCCN1CCOC[C@@H]1C ZINC000337721615 444372929 /nfs/dbraw/zinc/37/29/29/444372929.db2.gz PRBZDVDDFDYAQO-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[N@@H+]1C ZINC000340255524 444374589 /nfs/dbraw/zinc/37/45/89/444374589.db2.gz HCPNCSDACMERSX-HACGYAERSA-N 2 1 337.489 1.784 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[N@H+]1C ZINC000340255524 444374593 /nfs/dbraw/zinc/37/45/93/444374593.db2.gz HCPNCSDACMERSX-HACGYAERSA-N 2 1 337.489 1.784 20 0 EDADMP CCO[C@H](CC[NH+](C)C)CN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340523607 444424025 /nfs/dbraw/zinc/42/40/25/444424025.db2.gz GRSSHCCLRBLDCN-NVXWUHKLSA-N 2 1 335.427 1.980 20 0 EDADMP O=C([C@@H]1CCn2cncc2C1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000328689822 444430669 /nfs/dbraw/zinc/43/06/69/444430669.db2.gz QOUUSODYDVKRQE-HZPDHXFCSA-N 2 1 332.448 1.016 20 0 EDADMP CNC(=O)C[NH+]1CCC(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000579596945 321952139 /nfs/dbraw/zinc/95/21/39/321952139.db2.gz RMWSUMQAMOTCQW-KRWDZBQOSA-N 2 1 346.475 1.039 20 0 EDADMP C[C@@H](CC1CCOCC1)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000340684257 444479601 /nfs/dbraw/zinc/47/96/01/444479601.db2.gz WRFMRKPSKKLOKI-RDJZCZTQSA-N 2 1 325.497 1.759 20 0 EDADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000580772866 322093459 /nfs/dbraw/zinc/09/34/59/322093459.db2.gz ZSPKZAINJBADJB-IAGOWNOFSA-N 2 1 347.507 1.576 20 0 EDADMP CC(C)([NH3+])c1nocc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000580962087 322118166 /nfs/dbraw/zinc/11/81/66/322118166.db2.gz MIRHSPDJYFUPCL-SWLSCSKDSA-N 2 1 332.448 1.957 20 0 EDADMP c1nc2c([nH]1)CC[C@H]([NH2+][C@H]1CCCc3c1cnn3-c1ncccn1)C2 ZINC000581108051 322135529 /nfs/dbraw/zinc/13/55/29/322135529.db2.gz XOGHCQSJKMXOTK-JSGCOSHPSA-N 2 1 335.415 1.910 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000581894289 322230263 /nfs/dbraw/zinc/23/02/63/322230263.db2.gz ODQQXRNFOHVFOP-HNNXBMFYSA-N 2 1 331.420 1.090 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342129109 444524059 /nfs/dbraw/zinc/52/40/59/444524059.db2.gz NDOUVURBIKBECY-JQHSSLGASA-N 2 1 331.460 1.508 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342129109 444524063 /nfs/dbraw/zinc/52/40/63/444524063.db2.gz NDOUVURBIKBECY-JQHSSLGASA-N 2 1 331.460 1.508 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343771038 444579624 /nfs/dbraw/zinc/57/96/24/444579624.db2.gz NZRCTBFAUOSFSK-WTXIUTQJSA-N 2 1 344.459 1.424 20 0 EDADMP Cc1cnn(CC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000338314289 444626987 /nfs/dbraw/zinc/62/69/87/444626987.db2.gz JYFHOVABAIERJC-UHFFFAOYSA-N 2 1 333.480 1.068 20 0 EDADMP CCC[NH+](C)CC(=O)NC1CCC(NC(=O)C[N@H+](C)CCC)CC1 ZINC000338268858 444599910 /nfs/dbraw/zinc/59/99/10/444599910.db2.gz QWEOKRJEAZUNNN-UHFFFAOYSA-N 2 1 340.512 1.214 20 0 EDADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](COC)Cc1ccccc1 ZINC000338312280 444625691 /nfs/dbraw/zinc/62/56/91/444625691.db2.gz FZURLDOIMVIYEZ-LJQANCHMSA-N 2 1 347.503 1.730 20 0 EDADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](COC)Cc1ccccc1 ZINC000338312280 444625694 /nfs/dbraw/zinc/62/56/94/444625694.db2.gz FZURLDOIMVIYEZ-LJQANCHMSA-N 2 1 347.503 1.730 20 0 EDADMP COC(=O)[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000343934647 444678399 /nfs/dbraw/zinc/67/83/99/444678399.db2.gz HYTQIDPDVZTIRF-APWZRJJASA-N 2 1 334.460 1.801 20 0 EDADMP COC(=O)[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000343934647 444678401 /nfs/dbraw/zinc/67/84/01/444678401.db2.gz HYTQIDPDVZTIRF-APWZRJJASA-N 2 1 334.460 1.801 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000341187156 444716898 /nfs/dbraw/zinc/71/68/98/444716898.db2.gz CGNCYVIZQDBDQF-LSDHHAIUSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC000344020619 444731660 /nfs/dbraw/zinc/73/16/60/444731660.db2.gz XKRKXWOPADPTGP-IKGGRYGDSA-N 2 1 340.512 1.611 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC000344020619 444731665 /nfs/dbraw/zinc/73/16/65/444731665.db2.gz XKRKXWOPADPTGP-IKGGRYGDSA-N 2 1 340.512 1.611 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC000344020619 444731668 /nfs/dbraw/zinc/73/16/68/444731668.db2.gz XKRKXWOPADPTGP-IKGGRYGDSA-N 2 1 340.512 1.611 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC000344020619 444731672 /nfs/dbraw/zinc/73/16/72/444731672.db2.gz XKRKXWOPADPTGP-IKGGRYGDSA-N 2 1 340.512 1.611 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)c1 ZINC000344050150 444750953 /nfs/dbraw/zinc/75/09/53/444750953.db2.gz BJYYPXWUGLKARR-QFBILLFUSA-N 2 1 335.492 1.683 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000336854749 444803089 /nfs/dbraw/zinc/80/30/89/444803089.db2.gz FZWYNGUZQKRKJC-OAHLLOKOSA-N 2 1 328.482 1.375 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000336854749 444803093 /nfs/dbraw/zinc/80/30/93/444803093.db2.gz FZWYNGUZQKRKJC-OAHLLOKOSA-N 2 1 328.482 1.375 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000344182299 444825966 /nfs/dbraw/zinc/82/59/66/444825966.db2.gz GWFXEHRKBVIFOE-ZJIFWQFVSA-N 2 1 325.497 1.721 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000344182299 444825970 /nfs/dbraw/zinc/82/59/70/444825970.db2.gz GWFXEHRKBVIFOE-ZJIFWQFVSA-N 2 1 325.497 1.721 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC1 ZINC000342717555 444831910 /nfs/dbraw/zinc/83/19/10/444831910.db2.gz VYMPQUYIYZJIPS-OAHLLOKOSA-N 2 1 327.469 1.237 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC[N@H+]1C ZINC000344219670 444845705 /nfs/dbraw/zinc/84/57/05/444845705.db2.gz ZJAKKRNIIZIOEU-SJORKVTESA-N 3 1 326.529 1.449 20 0 EDADMP C[C@@H]1CN(c2cc(N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)ncn2)C[C@H](C)[NH+]1C ZINC000338785944 444851256 /nfs/dbraw/zinc/85/12/56/444851256.db2.gz CBSFWBDHVUCTTQ-GEEKYZPCSA-N 2 1 332.496 1.534 20 0 EDADMP C[N@H+](CCCNC(=O)[C@H]1CC[NH2+]CC1(F)F)Cc1ccccc1 ZINC000342712404 444829261 /nfs/dbraw/zinc/82/92/61/444829261.db2.gz RPUBLWRRSHUEGD-OAHLLOKOSA-N 2 1 325.403 1.870 20 0 EDADMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH2+]CC1(F)F)Cc1ccccc1 ZINC000342712404 444829266 /nfs/dbraw/zinc/82/92/66/444829266.db2.gz RPUBLWRRSHUEGD-OAHLLOKOSA-N 2 1 325.403 1.870 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000341888025 445054411 /nfs/dbraw/zinc/05/44/11/445054411.db2.gz OMYRXEHDVHBJIK-RYRKJORJSA-N 2 1 335.492 1.430 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000337402510 445063737 /nfs/dbraw/zinc/06/37/37/445063737.db2.gz KMCOMVQKUHXSRQ-HNNXBMFYSA-N 2 1 328.501 1.326 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000344616500 445088136 /nfs/dbraw/zinc/08/81/36/445088136.db2.gz NKEGVLJSGXLFPZ-DLBZAZTESA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000344616500 445088138 /nfs/dbraw/zinc/08/81/38/445088138.db2.gz NKEGVLJSGXLFPZ-DLBZAZTESA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000344616500 445088142 /nfs/dbraw/zinc/08/81/42/445088142.db2.gz NKEGVLJSGXLFPZ-DLBZAZTESA-N 2 1 337.508 1.866 20 0 EDADMP COCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccnn1C ZINC000337444545 445084015 /nfs/dbraw/zinc/08/40/15/445084015.db2.gz BQGZFUDGLDYZRA-UHFFFAOYSA-N 2 1 337.512 1.285 20 0 EDADMP COCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccnn1C ZINC000337444545 445084018 /nfs/dbraw/zinc/08/40/18/445084018.db2.gz BQGZFUDGLDYZRA-UHFFFAOYSA-N 2 1 337.512 1.285 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N(C)C[C@@H]2C[C@H](OC)C[NH+]2C)C1 ZINC000344530154 445037556 /nfs/dbraw/zinc/03/75/56/445037556.db2.gz YDSGPLOQJGQCEX-PMPSAXMXSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)C1 ZINC000344530154 445037558 /nfs/dbraw/zinc/03/75/58/445037558.db2.gz YDSGPLOQJGQCEX-PMPSAXMXSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)C1 ZINC000344530154 445037560 /nfs/dbraw/zinc/03/75/60/445037560.db2.gz YDSGPLOQJGQCEX-PMPSAXMXSA-N 2 1 326.485 1.079 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343075822 445045232 /nfs/dbraw/zinc/04/52/32/445045232.db2.gz ZYNIQFPDRMCTOV-IBGZPJMESA-N 2 1 342.487 1.157 20 0 EDADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccc4c(c3)OCO4)C2)C1 ZINC000339435235 445140500 /nfs/dbraw/zinc/14/05/00/445140500.db2.gz AZANSRKBBKOGGM-KXBFYZLASA-N 2 1 348.443 1.573 20 0 EDADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccc4c(c3)OCO4)C2)C1 ZINC000339435235 445140503 /nfs/dbraw/zinc/14/05/03/445140503.db2.gz AZANSRKBBKOGGM-KXBFYZLASA-N 2 1 348.443 1.573 20 0 EDADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)COc3ccc4c(c3)OCO4)C2)C1 ZINC000339435235 445140507 /nfs/dbraw/zinc/14/05/07/445140507.db2.gz AZANSRKBBKOGGM-KXBFYZLASA-N 2 1 348.443 1.573 20 0 EDADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc4c(c3)OCO4)C2)C1 ZINC000339435235 445140513 /nfs/dbraw/zinc/14/05/13/445140513.db2.gz AZANSRKBBKOGGM-KXBFYZLASA-N 2 1 348.443 1.573 20 0 EDADMP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343168944 445110817 /nfs/dbraw/zinc/11/08/17/445110817.db2.gz AVBWDTNHMVXPDQ-OALUTQOASA-N 2 1 342.487 1.330 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342083873 445162942 /nfs/dbraw/zinc/16/29/42/445162942.db2.gz KZKOYASBCZTASG-BFJAYTPKSA-N 2 1 345.443 1.844 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342083873 445162947 /nfs/dbraw/zinc/16/29/47/445162947.db2.gz KZKOYASBCZTASG-BFJAYTPKSA-N 2 1 345.443 1.844 20 0 EDADMP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342092584 445167677 /nfs/dbraw/zinc/16/76/77/445167677.db2.gz VITJORRPWJUJAG-JQFCIGGWSA-N 2 1 330.432 1.643 20 0 EDADMP CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342092584 445167682 /nfs/dbraw/zinc/16/76/82/445167682.db2.gz VITJORRPWJUJAG-JQFCIGGWSA-N 2 1 330.432 1.643 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342114967 445180074 /nfs/dbraw/zinc/18/00/74/445180074.db2.gz XLBYCZYDQNSPTN-GVDBMIGSSA-N 2 1 331.460 1.413 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342114967 445180082 /nfs/dbraw/zinc/18/00/82/445180082.db2.gz XLBYCZYDQNSPTN-GVDBMIGSSA-N 2 1 331.460 1.413 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000345073201 445159440 /nfs/dbraw/zinc/15/94/40/445159440.db2.gz MDXKKLSRARROKU-NEWSRXKRSA-N 2 1 345.487 1.544 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCC[NH+](C)[C@H](C)CC)CC[N@H+]1CCOC ZINC000347073574 445231105 /nfs/dbraw/zinc/23/11/05/445231105.db2.gz RRAALPKNOZHSCT-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCC[N@H+](C)[C@H](C)CC)CC[NH+]1CCOC ZINC000347073574 445231106 /nfs/dbraw/zinc/23/11/06/445231106.db2.gz RRAALPKNOZHSCT-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCC[N@@H+](C)[C@H](C)CC)CC[NH+]1CCOC ZINC000347073574 445231108 /nfs/dbraw/zinc/23/11/08/445231108.db2.gz RRAALPKNOZHSCT-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000347901156 445254495 /nfs/dbraw/zinc/25/44/95/445254495.db2.gz NBJSEBYEAWQZLU-BHYGNILZSA-N 2 1 333.480 1.356 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000347901156 445254500 /nfs/dbraw/zinc/25/45/00/445254500.db2.gz NBJSEBYEAWQZLU-BHYGNILZSA-N 2 1 333.480 1.356 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000347901156 445254504 /nfs/dbraw/zinc/25/45/04/445254504.db2.gz NBJSEBYEAWQZLU-BHYGNILZSA-N 2 1 333.480 1.356 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@H+](C)CCC(C)(C)O)cc[nH+]1 ZINC000348160890 445295100 /nfs/dbraw/zinc/29/51/00/445295100.db2.gz UQTYOKYDSRMJOW-UONOGXRCSA-N 2 1 339.459 1.552 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@@H+](C)CCC(C)(C)O)cc[nH+]1 ZINC000348160890 445295105 /nfs/dbraw/zinc/29/51/05/445295105.db2.gz UQTYOKYDSRMJOW-UONOGXRCSA-N 2 1 339.459 1.552 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354691343 445341826 /nfs/dbraw/zinc/34/18/26/445341826.db2.gz OCZQXIONSKSRTR-JCECYMMASA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354691343 445341828 /nfs/dbraw/zinc/34/18/28/445341828.db2.gz OCZQXIONSKSRTR-JCECYMMASA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354691343 445341831 /nfs/dbraw/zinc/34/18/31/445341831.db2.gz OCZQXIONSKSRTR-JCECYMMASA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354691343 445341835 /nfs/dbraw/zinc/34/18/35/445341835.db2.gz OCZQXIONSKSRTR-JCECYMMASA-N 2 1 337.508 1.815 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000351858441 445345028 /nfs/dbraw/zinc/34/50/28/445345028.db2.gz ZBMDHAZQJJTBQQ-KKUMJFAQSA-N 2 1 349.475 1.859 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000351858441 445345030 /nfs/dbraw/zinc/34/50/30/445345030.db2.gz ZBMDHAZQJJTBQQ-KKUMJFAQSA-N 2 1 349.475 1.859 20 0 EDADMP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1cccc2nsnc21 ZINC000357078597 445411819 /nfs/dbraw/zinc/41/18/19/445411819.db2.gz LLUZCDRHADLWGX-ZDUSSCGKSA-N 2 1 345.472 1.951 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357082330 445414990 /nfs/dbraw/zinc/41/49/90/445414990.db2.gz HUMSJPZVPUUESC-HOCLYGCPSA-N 2 1 333.480 1.685 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCOCC2)CC1)CC1CC1 ZINC000357091164 445422168 /nfs/dbraw/zinc/42/21/68/445422168.db2.gz WMJRSTZUFMCQEK-UHFFFAOYSA-N 2 1 337.508 1.679 20 0 EDADMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000357100410 445428691 /nfs/dbraw/zinc/42/86/91/445428691.db2.gz FFZWYCAOUMCGPD-OAHLLOKOSA-N 2 1 345.443 1.718 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCOCc2ccccc2)CC1 ZINC000362449075 445387591 /nfs/dbraw/zinc/38/75/91/445387591.db2.gz GVCLKWXEOJYRSV-UHFFFAOYSA-N 2 1 333.476 1.736 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCOCc2ccccc2)CC1 ZINC000362449075 445387593 /nfs/dbraw/zinc/38/75/93/445387593.db2.gz GVCLKWXEOJYRSV-UHFFFAOYSA-N 2 1 333.476 1.736 20 0 EDADMP C[C@H]1CN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH+](C)C ZINC000362651172 445479478 /nfs/dbraw/zinc/47/94/78/445479478.db2.gz FNSUMNWESNQLRL-CAOSSQGBSA-N 2 1 326.485 1.077 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000348906803 445437019 /nfs/dbraw/zinc/43/70/19/445437019.db2.gz BPXTYUCYWAHRSI-IAGOWNOFSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C[C@H]1C ZINC000348906803 445437020 /nfs/dbraw/zinc/43/70/20/445437020.db2.gz BPXTYUCYWAHRSI-IAGOWNOFSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)C[C@H]1C ZINC000348906803 445437021 /nfs/dbraw/zinc/43/70/21/445437021.db2.gz BPXTYUCYWAHRSI-IAGOWNOFSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)CC[C@@H]2CCCC[NH+]2C)CCCO1 ZINC000357181446 445470393 /nfs/dbraw/zinc/47/03/93/445470393.db2.gz FBNMINAVGRWRMA-SJORKVTESA-N 2 1 325.497 1.868 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC000357181446 445470397 /nfs/dbraw/zinc/47/03/97/445470397.db2.gz FBNMINAVGRWRMA-SJORKVTESA-N 2 1 325.497 1.868 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)CC[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC000357181446 445470402 /nfs/dbraw/zinc/47/04/02/445470402.db2.gz FBNMINAVGRWRMA-SJORKVTESA-N 2 1 325.497 1.868 20 0 EDADMP C[C@H](C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000357249931 445507764 /nfs/dbraw/zinc/50/77/64/445507764.db2.gz SQTILLPFPBGGHW-CZUORRHYSA-N 2 1 332.448 1.386 20 0 EDADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000352126378 445508864 /nfs/dbraw/zinc/50/88/64/445508864.db2.gz SHDOKXJWQPYRIU-AZUAARDMSA-N 2 1 347.503 1.718 20 0 EDADMP CC(C)N(C(=O)CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)C ZINC000362719392 445517780 /nfs/dbraw/zinc/51/77/80/445517780.db2.gz JQFDDFJLTCOGBL-GOSISDBHSA-N 2 1 338.540 1.732 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000362725965 445520416 /nfs/dbraw/zinc/52/04/16/445520416.db2.gz RTZHUGOYVAKHDQ-QFBILLFUSA-N 2 1 344.503 1.745 20 0 EDADMP C[NH2+][C@H](C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)c1cnn(C)c1 ZINC000357247324 445506070 /nfs/dbraw/zinc/50/60/70/445506070.db2.gz ZKTUNQHLILNLOD-PREGVCBESA-N 2 1 333.480 1.404 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000360135750 445588518 /nfs/dbraw/zinc/58/85/18/445588518.db2.gz KTGWGBGFWUFCQB-MRXNPFEDSA-N 2 1 328.501 1.467 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000360135750 445588520 /nfs/dbraw/zinc/58/85/20/445588520.db2.gz KTGWGBGFWUFCQB-MRXNPFEDSA-N 2 1 328.501 1.467 20 0 EDADMP CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000362770396 445541954 /nfs/dbraw/zinc/54/19/54/445541954.db2.gz RUBCNJUSIIFFSO-OAHLLOKOSA-N 2 1 349.479 1.026 20 0 EDADMP C[N@@H+](CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000362774275 445544093 /nfs/dbraw/zinc/54/40/93/445544093.db2.gz IXTJKTXBJZFVBP-UHFFFAOYSA-N 2 1 340.537 1.741 20 0 EDADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000353453197 445608531 /nfs/dbraw/zinc/60/85/31/445608531.db2.gz DXCMCPIZWSKQBX-GUYCJALGSA-N 2 1 329.444 1.991 20 0 EDADMP C[N@H+]1CC[C@](O)(CN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000358251957 445613302 /nfs/dbraw/zinc/61/33/02/445613302.db2.gz MYBOMMKKEVDCNS-NCYKPQTJSA-N 2 1 343.515 1.943 20 0 EDADMP C[NH+]1CC[C@](O)(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000358251957 445613306 /nfs/dbraw/zinc/61/33/06/445613306.db2.gz MYBOMMKKEVDCNS-NCYKPQTJSA-N 2 1 343.515 1.943 20 0 EDADMP C[NH+]1CC[C@](O)(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000358251957 445613311 /nfs/dbraw/zinc/61/33/11/445613311.db2.gz MYBOMMKKEVDCNS-NCYKPQTJSA-N 2 1 343.515 1.943 20 0 EDADMP CN1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000358251957 445613314 /nfs/dbraw/zinc/61/33/14/445613314.db2.gz MYBOMMKKEVDCNS-NCYKPQTJSA-N 2 1 343.515 1.943 20 0 EDADMP CN1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000358251957 445613318 /nfs/dbraw/zinc/61/33/18/445613318.db2.gz MYBOMMKKEVDCNS-NCYKPQTJSA-N 2 1 343.515 1.943 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000353488706 445626061 /nfs/dbraw/zinc/62/60/61/445626061.db2.gz ORKINHUDNZJCEY-SFHVURJKSA-N 2 1 340.556 1.493 20 0 EDADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1 ZINC000360241961 445650948 /nfs/dbraw/zinc/65/09/48/445650948.db2.gz MJQMUTDJYMJJPA-ZBFHGGJFSA-N 2 1 339.505 1.946 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N(C)CCC[NH+](C)CCN(C)C)C1 ZINC000358581979 445661405 /nfs/dbraw/zinc/66/14/05/445661405.db2.gz ACRHLYNTCLGNHZ-KRWDZBQOSA-N 2 1 341.544 1.243 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000358581979 445661408 /nfs/dbraw/zinc/66/14/08/445661408.db2.gz ACRHLYNTCLGNHZ-KRWDZBQOSA-N 2 1 341.544 1.243 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1 ZINC000358581979 445661411 /nfs/dbraw/zinc/66/14/11/445661411.db2.gz ACRHLYNTCLGNHZ-KRWDZBQOSA-N 2 1 341.544 1.243 20 0 EDADMP C[C@H]1CCC[N@H+](CCNC(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000358581979 445661414 /nfs/dbraw/zinc/66/14/14/445661414.db2.gz ACRHLYNTCLGNHZ-KRWDZBQOSA-N 2 1 341.544 1.243 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000358581979 445661419 /nfs/dbraw/zinc/66/14/19/445661419.db2.gz ACRHLYNTCLGNHZ-KRWDZBQOSA-N 2 1 341.544 1.243 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)C(C)C ZINC000349757021 445667835 /nfs/dbraw/zinc/66/78/35/445667835.db2.gz JQLFKGPKWCTNEY-OAHLLOKOSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)C(C)C ZINC000349757021 445667839 /nfs/dbraw/zinc/66/78/39/445667839.db2.gz JQLFKGPKWCTNEY-OAHLLOKOSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)C(C)C ZINC000349757021 445667840 /nfs/dbraw/zinc/66/78/40/445667840.db2.gz JQLFKGPKWCTNEY-OAHLLOKOSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000349804954 445684215 /nfs/dbraw/zinc/68/42/15/445684215.db2.gz UTBPPXXUJRCYQE-HUUCEWRRSA-N 2 1 347.459 1.354 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000360345636 445701663 /nfs/dbraw/zinc/70/16/63/445701663.db2.gz RANLVHKJEUBJTO-QGZVFWFLSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[C@H](C(=O)N2CCN(Cc3cccc(O)c3)CC2)CC[N@H+]1C ZINC000353688934 445707969 /nfs/dbraw/zinc/70/79/69/445707969.db2.gz BGDKBQBGVHYIHN-NVXWUHKLSA-N 2 1 331.460 1.767 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000349903021 445716458 /nfs/dbraw/zinc/71/64/58/445716458.db2.gz DTODRLICWPBJJT-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000350068433 445760763 /nfs/dbraw/zinc/76/07/63/445760763.db2.gz DMVYJZTWRMNBLJ-IKGGRYGDSA-N 2 1 340.512 1.517 20 0 EDADMP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000356498465 445823544 /nfs/dbraw/zinc/82/35/44/445823544.db2.gz RMXXIRGFCARCKA-XHSDSOJGSA-N 2 1 332.448 1.472 20 0 EDADMP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000361529422 445805763 /nfs/dbraw/zinc/80/57/63/445805763.db2.gz FBDBSUXYIXCCJX-MRXNPFEDSA-N 2 1 343.427 1.652 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1(COC)CC[NH2+]CC1 ZINC000358891177 445834980 /nfs/dbraw/zinc/83/49/80/445834980.db2.gz YHVCCCJGODCWQF-INIZCTEOSA-N 2 1 325.497 1.773 20 0 EDADMP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000363538286 445851050 /nfs/dbraw/zinc/85/10/50/445851050.db2.gz PXFPOYUWZJSCJX-LJQANCHMSA-N 2 1 345.487 1.880 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)NCCc3ccc(F)cc3)CC[C@H]21 ZINC000361673078 445871811 /nfs/dbraw/zinc/87/18/11/445871811.db2.gz UNZQHUPUYRRMSZ-SJLPKXTDSA-N 2 1 333.451 1.901 20 0 EDADMP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCCCCn1cccn1 ZINC000361755898 445917705 /nfs/dbraw/zinc/91/77/05/445917705.db2.gz NRQRMRVSOCTVIU-RBUKOAKNSA-N 2 1 349.523 1.390 20 0 EDADMP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCCCn1cccn1 ZINC000361755898 445917710 /nfs/dbraw/zinc/91/77/10/445917710.db2.gz NRQRMRVSOCTVIU-RBUKOAKNSA-N 2 1 349.523 1.390 20 0 EDADMP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCCCn1cccn1 ZINC000361755898 445917716 /nfs/dbraw/zinc/91/77/16/445917716.db2.gz NRQRMRVSOCTVIU-RBUKOAKNSA-N 2 1 349.523 1.390 20 0 EDADMP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCCCCn1cccn1 ZINC000361755898 445917721 /nfs/dbraw/zinc/91/77/21/445917721.db2.gz NRQRMRVSOCTVIU-RBUKOAKNSA-N 2 1 349.523 1.390 20 0 EDADMP CCCCCNC(=O)CN1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000369149514 445954335 /nfs/dbraw/zinc/95/43/35/445954335.db2.gz MYSYFCIQLMQXIM-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000366029207 445970810 /nfs/dbraw/zinc/97/08/10/445970810.db2.gz NPBJMODFRODFBY-INIZCTEOSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000351018025 445971789 /nfs/dbraw/zinc/97/17/89/445971789.db2.gz TUYJNXYRNGHQAV-OAGGEKHMSA-N 2 1 340.512 1.164 20 0 EDADMP CN1CCN(c2ncc(CN3CC[C@]4(C3)CCC[N@@H+](C)C4)cn2)CC1 ZINC000354176060 445972038 /nfs/dbraw/zinc/97/20/38/445972038.db2.gz IMLWWEGCVZXKSJ-LJQANCHMSA-N 2 1 344.507 1.146 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[C@]4(C3)CCC[N@H+](C)C4)cn2)CC1 ZINC000354176060 445972044 /nfs/dbraw/zinc/97/20/44/445972044.db2.gz IMLWWEGCVZXKSJ-LJQANCHMSA-N 3 1 344.507 1.146 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[C@]4(C3)CCC[N@@H+](C)C4)cn2)CC1 ZINC000354176060 445972049 /nfs/dbraw/zinc/97/20/49/445972049.db2.gz IMLWWEGCVZXKSJ-LJQANCHMSA-N 3 1 344.507 1.146 20 0 EDADMP C[C@@]1(O)CCC[NH+](CC2(C[N@@H+]3CCC[C@@](C)(O)CC3)COC2)CC1 ZINC000369131378 445946045 /nfs/dbraw/zinc/94/60/45/445946045.db2.gz UITKGCQBBHTMTJ-QZTJIDSGSA-N 2 1 340.508 1.477 20 0 EDADMP C[N@@H+](CCNS(=O)(=O)c1ccccc1)C[C@H]1CCc2nccn2C1 ZINC000364711654 445948020 /nfs/dbraw/zinc/94/80/20/445948020.db2.gz CEEGYMOTEGHFPB-OAHLLOKOSA-N 2 1 348.472 1.356 20 0 EDADMP C[N@@H+](CCNS(=O)(=O)c1ccccc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364711654 445948032 /nfs/dbraw/zinc/94/80/32/445948032.db2.gz CEEGYMOTEGHFPB-OAHLLOKOSA-N 2 1 348.472 1.356 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH+]1C ZINC000369218578 446000555 /nfs/dbraw/zinc/00/05/55/446000555.db2.gz JLZQRZPVVZWBRK-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000369218578 446000559 /nfs/dbraw/zinc/00/05/59/446000559.db2.gz JLZQRZPVVZWBRK-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000369218578 446000564 /nfs/dbraw/zinc/00/05/64/446000564.db2.gz JLZQRZPVVZWBRK-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP C[N@@H+](CCNC(=O)NCCNc1cc[nH+]cc1)Cc1ccc(F)cc1 ZINC000361849316 446003857 /nfs/dbraw/zinc/00/38/57/446003857.db2.gz DTAJNJPRHCMUFH-UHFFFAOYSA-N 2 1 345.422 1.486 20 0 EDADMP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000583633671 326108763 /nfs/dbraw/zinc/10/87/63/326108763.db2.gz QWZGBNMABYENIO-PKOBYXMFSA-N 2 1 344.503 1.832 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000365148058 446054484 /nfs/dbraw/zinc/05/44/84/446054484.db2.gz ZONLBECCGLKVNE-IRXDYDNUSA-N 2 1 338.496 1.365 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583993618 326180107 /nfs/dbraw/zinc/18/01/07/326180107.db2.gz OABSTFLUPHCYMJ-OTWHNJEPSA-N 2 1 342.487 1.752 20 0 EDADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000359236279 446067837 /nfs/dbraw/zinc/06/78/37/446067837.db2.gz ONXKLQNUQKZSTE-INIZCTEOSA-N 2 1 331.464 1.392 20 0 EDADMP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351487582 446088018 /nfs/dbraw/zinc/08/80/18/446088018.db2.gz COQPDNSIVNTKDY-DIECFANBSA-N 2 1 331.460 1.884 20 0 EDADMP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351487582 446088022 /nfs/dbraw/zinc/08/80/22/446088022.db2.gz COQPDNSIVNTKDY-DIECFANBSA-N 2 1 331.460 1.884 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000351478108 446078544 /nfs/dbraw/zinc/07/85/44/446078544.db2.gz OVOOWAPJYQYVCA-NZUILWFCSA-N 2 1 349.450 1.850 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)C[NH+]1CCCC1 ZINC000369659519 446141650 /nfs/dbraw/zinc/14/16/50/446141650.db2.gz UNYAQKOLJBNMTJ-XMTFNYHQSA-N 2 1 334.508 1.844 20 0 EDADMP CS(=O)(=O)c1ccc(OCCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351497908 446103570 /nfs/dbraw/zinc/10/35/70/446103570.db2.gz VIQNNWOXVDJKKM-IAOVAPTHSA-N 2 1 338.473 1.528 20 0 EDADMP CS(=O)(=O)c1ccc(OCCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351497908 446103575 /nfs/dbraw/zinc/10/35/75/446103575.db2.gz VIQNNWOXVDJKKM-IAOVAPTHSA-N 2 1 338.473 1.528 20 0 EDADMP CSC1(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC[NH+](C)CC1 ZINC000359279756 446115648 /nfs/dbraw/zinc/11/56/48/446115648.db2.gz GKTQJSPBJHPRQQ-CQSZACIVSA-N 2 1 329.510 1.039 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCCC[C@H]1CC ZINC000359282905 446119261 /nfs/dbraw/zinc/11/92/61/446119261.db2.gz XSNPBYHPXZEZTN-HZPDHXFCSA-N 2 1 340.512 1.214 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000359282905 446119264 /nfs/dbraw/zinc/11/92/64/446119264.db2.gz XSNPBYHPXZEZTN-HZPDHXFCSA-N 2 1 340.512 1.214 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000359282905 446119268 /nfs/dbraw/zinc/11/92/68/446119268.db2.gz XSNPBYHPXZEZTN-HZPDHXFCSA-N 2 1 340.512 1.214 20 0 EDADMP Cn1cc(-c2ncc(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)cn2)cn1 ZINC000366353429 446169162 /nfs/dbraw/zinc/16/91/62/446169162.db2.gz ZVHYQAZJXMMNDA-KRWDZBQOSA-N 2 1 344.463 1.204 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000359389766 446193324 /nfs/dbraw/zinc/19/33/24/446193324.db2.gz LONMJGKTWSKCSB-SJLPKXTDSA-N 2 1 349.523 1.035 20 0 EDADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000359389766 446193326 /nfs/dbraw/zinc/19/33/26/446193326.db2.gz LONMJGKTWSKCSB-SJLPKXTDSA-N 2 1 349.523 1.035 20 0 EDADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000359389766 446193330 /nfs/dbraw/zinc/19/33/30/446193330.db2.gz LONMJGKTWSKCSB-SJLPKXTDSA-N 2 1 349.523 1.035 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362058473 446183247 /nfs/dbraw/zinc/18/32/47/446183247.db2.gz UYXPGDMTJPGHEB-PSBWJHGTSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@H](CO)[C@H](C)C1 ZINC000362058473 446183256 /nfs/dbraw/zinc/18/32/56/446183256.db2.gz UYXPGDMTJPGHEB-PSBWJHGTSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@H](CO)[C@H](C)C1 ZINC000362058473 446183262 /nfs/dbraw/zinc/18/32/62/446183262.db2.gz UYXPGDMTJPGHEB-PSBWJHGTSA-N 2 1 345.487 1.326 20 0 EDADMP CC[NH+]1CCC(n2nccc2NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000359384723 446189927 /nfs/dbraw/zinc/18/99/27/446189927.db2.gz GSIJGKBTSQXXFF-UHFFFAOYSA-N 2 1 346.435 1.842 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)CC1 ZINC000366321728 446149560 /nfs/dbraw/zinc/14/95/60/446149560.db2.gz HYIJBZACALQYOY-IAGOWNOFSA-N 3 1 336.524 1.426 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC(C)(C)[NH3+] ZINC000366323417 446150167 /nfs/dbraw/zinc/15/01/67/446150167.db2.gz LSJQKZPRRDVLIQ-UHFFFAOYSA-N 3 1 338.540 1.769 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNc2ncnc3c2CN(C)CC3)c1 ZINC000369821830 446158047 /nfs/dbraw/zinc/15/80/47/446158047.db2.gz IHXSKHPJWYBOBS-UHFFFAOYSA-N 2 1 325.460 2.528 20 0 EDADMP O=C(CC[N@H+]1CC[C@H](OCCCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000351620367 446215617 /nfs/dbraw/zinc/21/56/17/446215617.db2.gz PGRGCNGAJGYWIE-IBGZPJMESA-N 2 1 345.487 1.532 20 0 EDADMP CN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000366683653 446308193 /nfs/dbraw/zinc/30/81/93/446308193.db2.gz WABBNFKAKGKCRO-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000366745314 446332724 /nfs/dbraw/zinc/33/27/24/446332724.db2.gz MNQHSHJQWFMQDM-KURKYZTESA-N 2 1 337.508 1.330 20 0 EDADMP C[NH+]1CCC2(CCCN(c3nc(N[C@H]4CCCOC4)cc[nH+]3)C2)CC1 ZINC000376138065 446351100 /nfs/dbraw/zinc/35/11/00/446351100.db2.gz ZQFLCWADMZIBKZ-INIZCTEOSA-N 2 1 345.491 2.380 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417436403 446351889 /nfs/dbraw/zinc/35/18/89/446351889.db2.gz DRUKFNKZQNZSDC-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)[C@@H](C[NH3+])C1 ZINC000417533470 446362928 /nfs/dbraw/zinc/36/29/28/446362928.db2.gz MSHOIHHKXZDOQH-QKPAOTATSA-N 2 1 326.485 1.397 20 0 EDADMP CC[NH2+]CCNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417583088 446365179 /nfs/dbraw/zinc/36/51/79/446365179.db2.gz LFXHCKDAPXKMFW-UHFFFAOYSA-N 2 1 340.512 1.709 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)[C@H](C)C1 ZINC000417664139 446367906 /nfs/dbraw/zinc/36/79/06/446367906.db2.gz ATHNDMYXFFWAPF-VVLHAWIVSA-N 2 1 340.512 1.421 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC(C)(C)CCC[NH3+])[C@@H](C)C1 ZINC000417670910 446369674 /nfs/dbraw/zinc/36/96/74/446369674.db2.gz PCIPAEJWNFBQSO-HOTGVXAUSA-N 2 1 342.528 1.940 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)[C@@H](C)C1 ZINC000417673678 446369867 /nfs/dbraw/zinc/36/98/67/446369867.db2.gz XEPFXQJBJQDFOH-YVSFHVDLSA-N 2 1 340.512 1.502 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](C)C1 ZINC000365895564 446393539 /nfs/dbraw/zinc/39/35/39/446393539.db2.gz MGIJXAGTHSTBNF-GRDNDAEWSA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](C)C1 ZINC000365895564 446393542 /nfs/dbraw/zinc/39/35/42/446393542.db2.gz MGIJXAGTHSTBNF-GRDNDAEWSA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](C)C1 ZINC000365895564 446393545 /nfs/dbraw/zinc/39/35/45/446393545.db2.gz MGIJXAGTHSTBNF-GRDNDAEWSA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](C)C1 ZINC000365895564 446393549 /nfs/dbraw/zinc/39/35/49/446393549.db2.gz MGIJXAGTHSTBNF-GRDNDAEWSA-N 2 1 329.460 1.112 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000417950109 446395863 /nfs/dbraw/zinc/39/58/63/446395863.db2.gz VPZOXYGAHICADM-TVFCKZIOSA-N 2 1 346.475 1.580 20 0 EDADMP COc1ccc([C@H](NC[C@@H]2CCC[N@H+]2CCCO)[C@H]2CCC[NH2+]2)cc1 ZINC000423144948 446439345 /nfs/dbraw/zinc/43/93/45/446439345.db2.gz ILDFVAZVFWKGKP-SXLOBPIMSA-N 2 1 347.503 1.925 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418099207 446440455 /nfs/dbraw/zinc/44/04/55/446440455.db2.gz BSQZJFIBNXZLQW-QUCCMNQESA-N 2 1 342.487 1.904 20 0 EDADMP Cc1cccc(OC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000374905999 446449705 /nfs/dbraw/zinc/44/97/05/446449705.db2.gz BLJIPHHKVAJFSD-UHFFFAOYSA-N 2 1 346.475 1.397 20 0 EDADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000418003972 446412169 /nfs/dbraw/zinc/41/21/69/446412169.db2.gz ZEPNNJIYNSJILE-QZTJIDSGSA-N 2 1 346.475 1.195 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418006673 446413582 /nfs/dbraw/zinc/41/35/82/446413582.db2.gz MOPBJNXEXNCDDP-JFIYKMOQSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418012162 446415528 /nfs/dbraw/zinc/41/55/28/446415528.db2.gz RVOSYQPYWXDBJD-ZFWWWQNUSA-N 2 1 340.418 1.790 20 0 EDADMP C[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418012162 446415529 /nfs/dbraw/zinc/41/55/29/446415529.db2.gz RVOSYQPYWXDBJD-ZFWWWQNUSA-N 2 1 340.418 1.790 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC[N@H+]1C ZINC000418012704 446415772 /nfs/dbraw/zinc/41/57/72/446415772.db2.gz YBBDCOHKVHFLMZ-RANZSIQMSA-N 2 1 330.476 1.853 20 0 EDADMP Cc1cc(NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000374847410 446416154 /nfs/dbraw/zinc/41/61/54/446416154.db2.gz RLLWEHUCHYEIDE-UHFFFAOYSA-N 2 1 343.431 2.165 20 0 EDADMP COC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000370767676 446425660 /nfs/dbraw/zinc/42/56/60/446425660.db2.gz VJSSLVSICAMSKD-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP CN(C(=O)[C@H]1CC1(Cl)Cl)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370839472 446472460 /nfs/dbraw/zinc/47/24/60/446472460.db2.gz QIWIZWOWAAIVAQ-CHWSQXEVSA-N 2 1 334.291 1.807 20 0 EDADMP CN(C(=O)[C@H]1CC1(Cl)Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370839472 446472465 /nfs/dbraw/zinc/47/24/65/446472465.db2.gz QIWIZWOWAAIVAQ-CHWSQXEVSA-N 2 1 334.291 1.807 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCCCC1CCOCC1 ZINC000420310654 446473824 /nfs/dbraw/zinc/47/38/24/446473824.db2.gz MQTHVEDXBCMMRI-QGZVFWFLSA-N 2 1 325.497 1.903 20 0 EDADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000418280275 446482764 /nfs/dbraw/zinc/48/27/64/446482764.db2.gz AMMRDKFUOFTIQI-HUUCEWRRSA-N 2 1 326.485 1.135 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418286861 446484681 /nfs/dbraw/zinc/48/46/81/446484681.db2.gz SESPYVWKWFVXAP-MRXNPFEDSA-N 2 1 339.528 1.363 20 0 EDADMP COC(=O)c1cccc(OCC[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420321991 446488301 /nfs/dbraw/zinc/48/83/01/446488301.db2.gz DOWZYEYQAUXUFN-MRXNPFEDSA-N 2 1 348.443 1.539 20 0 EDADMP O=C(NCCC[NH2+]C1CC1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418296828 446490122 /nfs/dbraw/zinc/49/01/22/446490122.db2.gz GXNFJFKEUCDREX-QZTJIDSGSA-N 2 1 346.475 1.063 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000423333124 446490757 /nfs/dbraw/zinc/49/07/57/446490757.db2.gz DVJQWLXXILRUBG-XHSDSOJGSA-N 2 1 325.497 1.770 20 0 EDADMP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420326738 446493436 /nfs/dbraw/zinc/49/34/36/446493436.db2.gz KQFAHPXDLSVLLI-SJLPKXTDSA-N 2 1 345.487 1.721 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@](C)(c3cnn(C)c3)C2)CC1 ZINC000367058978 446494806 /nfs/dbraw/zinc/49/48/06/446494806.db2.gz ZZSYSOLPFPGZRE-IBGZPJMESA-N 2 1 349.523 1.384 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000423340309 446496533 /nfs/dbraw/zinc/49/65/33/446496533.db2.gz VWZCTMXDUCHYRO-SOLBZPMBSA-N 2 1 347.507 1.905 20 0 EDADMP COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420337360 446508571 /nfs/dbraw/zinc/50/85/71/446508571.db2.gz NCTGEHUJDMGWEM-KFWWJZLASA-N 2 1 347.459 1.962 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCc1ccc2c(c1)OCO2 ZINC000420339511 446509358 /nfs/dbraw/zinc/50/93/58/446509358.db2.gz LXHJTXJQHCMGNR-HZPDHXFCSA-N 2 1 345.443 1.353 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420341112 446511428 /nfs/dbraw/zinc/51/14/28/446511428.db2.gz NQTDSNSJRNGGFS-ZWKOTPCHSA-N 2 1 345.487 1.975 20 0 EDADMP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420340295 446512450 /nfs/dbraw/zinc/51/24/50/446512450.db2.gz ZZAOXASCGRVGQS-RDJZCZTQSA-N 2 1 337.508 1.759 20 0 EDADMP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420340295 446512454 /nfs/dbraw/zinc/51/24/54/446512454.db2.gz ZZAOXASCGRVGQS-RDJZCZTQSA-N 2 1 337.508 1.759 20 0 EDADMP C[C@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000418359933 446513721 /nfs/dbraw/zinc/51/37/21/446513721.db2.gz JNSSCMRKOVEFCK-GOEBONIOSA-N 2 1 340.512 1.381 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1Cc1ccccc1 ZINC000418363503 446515285 /nfs/dbraw/zinc/51/52/85/446515285.db2.gz FTKSMTDUVNEIFE-QZTJIDSGSA-N 2 1 330.476 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1Cc1ccccc1 ZINC000418363503 446515292 /nfs/dbraw/zinc/51/52/92/446515292.db2.gz FTKSMTDUVNEIFE-QZTJIDSGSA-N 2 1 330.476 1.697 20 0 EDADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NCCc1ccc(F)cc1 ZINC000420386340 446560664 /nfs/dbraw/zinc/56/06/64/446560664.db2.gz FOWRPWXEDCIJAK-FUHWJXTLSA-N 2 1 333.451 1.948 20 0 EDADMP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NCCc1ccc(F)cc1 ZINC000420386340 446560670 /nfs/dbraw/zinc/56/06/70/446560670.db2.gz FOWRPWXEDCIJAK-FUHWJXTLSA-N 2 1 333.451 1.948 20 0 EDADMP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420389011 446564292 /nfs/dbraw/zinc/56/42/92/446564292.db2.gz NEOJCLQXVFVBPY-MHORFTMASA-N 2 1 349.519 1.724 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346881 446521897 /nfs/dbraw/zinc/52/18/97/446521897.db2.gz ZHXWPLBBADOOTB-HZPDHXFCSA-N 2 1 341.455 1.994 20 0 EDADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCc1c(F)cccc1F ZINC000420347864 446523476 /nfs/dbraw/zinc/52/34/76/446523476.db2.gz ZNYIBYGMLJBMRE-OKILXGFUSA-N 2 1 337.414 1.555 20 0 EDADMP [NH3+]C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000418393225 446525714 /nfs/dbraw/zinc/52/57/14/446525714.db2.gz DXLDSIWMWBFFTI-KRWDZBQOSA-N 2 1 334.439 1.780 20 0 EDADMP [NH3+]C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000418393225 446525719 /nfs/dbraw/zinc/52/57/19/446525719.db2.gz DXLDSIWMWBFFTI-KRWDZBQOSA-N 2 1 334.439 1.780 20 0 EDADMP Cc1cc(NC(=O)CC[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)no1 ZINC000376484415 446526555 /nfs/dbraw/zinc/52/65/55/446526555.db2.gz MTVMOPCQGHTNOV-OAHLLOKOSA-N 2 1 343.431 2.449 20 0 EDADMP Cc1cc(NC(=O)CC[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)no1 ZINC000376484415 446526562 /nfs/dbraw/zinc/52/65/62/446526562.db2.gz MTVMOPCQGHTNOV-OAHLLOKOSA-N 2 1 343.431 2.449 20 0 EDADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1C ZINC000420349960 446527603 /nfs/dbraw/zinc/52/76/03/446527603.db2.gz RARPXNFFZCWKKH-WMZOPIPTSA-N 2 1 330.476 1.610 20 0 EDADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1C ZINC000420349960 446527609 /nfs/dbraw/zinc/52/76/09/446527609.db2.gz RARPXNFFZCWKKH-WMZOPIPTSA-N 2 1 330.476 1.610 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)NCCCOc1ccccc1F ZINC000420362373 446542015 /nfs/dbraw/zinc/54/20/15/446542015.db2.gz NCRXLNOTSNLJMZ-MRXNPFEDSA-N 2 1 337.439 1.689 20 0 EDADMP [NH3+]C[C@@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)C1CCCCC1 ZINC000420364691 446544363 /nfs/dbraw/zinc/54/43/63/446544363.db2.gz KMSIHORGNKGBPB-LLVKDONJSA-N 2 1 338.374 1.262 20 0 EDADMP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420367315 446545865 /nfs/dbraw/zinc/54/58/65/446545865.db2.gz VJQGTUUBAXZIKB-KGLIPLIRSA-N 2 1 325.478 1.717 20 0 EDADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420370103 446549318 /nfs/dbraw/zinc/54/93/18/446549318.db2.gz CFBRTIRDDGKKAF-MRXNPFEDSA-N 2 1 345.447 1.851 20 0 EDADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420374618 446552006 /nfs/dbraw/zinc/55/20/06/446552006.db2.gz OFUJJRLVWSVALG-CMKODMSKSA-N 2 1 348.487 1.829 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)[C@H](C)C1 ZINC000453252240 446553239 /nfs/dbraw/zinc/55/32/39/446553239.db2.gz BWOXOVHZCLCKLH-QRVBRYPASA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH+](CCCO)C2)[C@H](C)C1 ZINC000453252240 446553249 /nfs/dbraw/zinc/55/32/49/446553249.db2.gz BWOXOVHZCLCKLH-QRVBRYPASA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](CCCO)C2)[C@H](C)C1 ZINC000453252240 446553255 /nfs/dbraw/zinc/55/32/55/446553255.db2.gz BWOXOVHZCLCKLH-QRVBRYPASA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CCC[N@H+](CCCO)C2)[C@H](C)C1 ZINC000453252240 446553260 /nfs/dbraw/zinc/55/32/60/446553260.db2.gz BWOXOVHZCLCKLH-QRVBRYPASA-N 2 1 341.540 1.560 20 0 EDADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](CCCO)C2)[C@H](C)C1 ZINC000453252240 446553268 /nfs/dbraw/zinc/55/32/68/446553268.db2.gz BWOXOVHZCLCKLH-QRVBRYPASA-N 2 1 341.540 1.560 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000420381859 446556485 /nfs/dbraw/zinc/55/64/85/446556485.db2.gz ZLOMBDWFOUSGHD-KEYYUXOJSA-N 2 1 340.489 1.835 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000418505975 446569828 /nfs/dbraw/zinc/56/98/28/446569828.db2.gz GTMRSLJNPKJIGK-KRWDZBQOSA-N 2 1 348.491 1.386 20 0 EDADMP C[C@H](C[NH3+])NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418509076 446572649 /nfs/dbraw/zinc/57/26/49/446572649.db2.gz AWUYUAYHAYETSC-KFWWJZLASA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418549843 446589971 /nfs/dbraw/zinc/58/99/71/446589971.db2.gz GACKOQPDQRXRTJ-GDAAHCPNSA-N 2 1 342.487 1.900 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H](C)CCCC[NH3+])CC[N@H+]1CCOC ZINC000418678132 446645155 /nfs/dbraw/zinc/64/51/55/446645155.db2.gz VEIDWFCUINHBOP-HZPDHXFCSA-N 2 1 328.501 1.646 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000423719031 446658198 /nfs/dbraw/zinc/65/81/98/446658198.db2.gz DVMFECBHPJVFDS-LJQANCHMSA-N 2 1 331.460 1.098 20 0 EDADMP Cc1cc(N)cc(CNC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000418744430 446664554 /nfs/dbraw/zinc/66/45/54/446664554.db2.gz LUGRGNFBNVLYPB-UHFFFAOYSA-N 2 1 347.507 1.745 20 0 EDADMP Cc1cc(N)cc(CNC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000418744430 446664562 /nfs/dbraw/zinc/66/45/62/446664562.db2.gz LUGRGNFBNVLYPB-UHFFFAOYSA-N 2 1 347.507 1.745 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC[N@H+]1CCOC ZINC000418743346 446665447 /nfs/dbraw/zinc/66/54/47/446665447.db2.gz CXWMXUJHDZQVBS-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000423738626 446670010 /nfs/dbraw/zinc/67/00/10/446670010.db2.gz UZZVDLOMBVVEAS-ICSRJNTNSA-N 2 1 343.471 1.729 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418647507 446631820 /nfs/dbraw/zinc/63/18/20/446631820.db2.gz GRCHFWWFZGVEMF-AEFFLSMTSA-N 2 1 348.491 1.395 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC2)cn1 ZINC000423757538 446686656 /nfs/dbraw/zinc/68/66/56/446686656.db2.gz MRYPRBRTYZQNGD-WMZOPIPTSA-N 2 1 349.523 1.947 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC2)cn1 ZINC000423757538 446686663 /nfs/dbraw/zinc/68/66/63/446686663.db2.gz MRYPRBRTYZQNGD-WMZOPIPTSA-N 2 1 349.523 1.947 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000418775076 446692821 /nfs/dbraw/zinc/69/28/21/446692821.db2.gz VXQNGEDNGXNWEX-ARFHVFGLSA-N 2 1 326.485 1.256 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000423765060 446693198 /nfs/dbraw/zinc/69/31/98/446693198.db2.gz WURQUHJVDGGSAR-KRWDZBQOSA-N 2 1 333.480 1.470 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000423765060 446693201 /nfs/dbraw/zinc/69/32/01/446693201.db2.gz WURQUHJVDGGSAR-KRWDZBQOSA-N 2 1 333.480 1.470 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[NH+]2CCC1CC2 ZINC000376751637 446697601 /nfs/dbraw/zinc/69/76/01/446697601.db2.gz PMVOITUHGIIYIO-UHFFFAOYSA-N 2 1 328.460 1.534 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418780435 446698743 /nfs/dbraw/zinc/69/87/43/446698743.db2.gz YLKXHQRZSGPOHV-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP NC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411884049 446704377 /nfs/dbraw/zinc/70/43/77/446704377.db2.gz WIZBFBRZFMTWTN-SFHVURJKSA-N 2 1 331.460 1.749 20 0 EDADMP NC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411884049 446704382 /nfs/dbraw/zinc/70/43/82/446704382.db2.gz WIZBFBRZFMTWTN-SFHVURJKSA-N 2 1 331.460 1.749 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000423820225 446711139 /nfs/dbraw/zinc/71/11/39/446711139.db2.gz GSFZVQUWFFPGOZ-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP [NH3+][C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000371279827 446739849 /nfs/dbraw/zinc/73/98/49/446739849.db2.gz LJADFCHJAGQSFH-KZNAEPCWSA-N 2 1 331.460 1.836 20 0 EDADMP C[C@H]1C[C@H](N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000376797651 446725082 /nfs/dbraw/zinc/72/50/82/446725082.db2.gz YSLYTRKAXZWYET-JYJNAYRXSA-N 2 1 349.500 1.664 20 0 EDADMP C[C@H]1C[C@H](N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000376797651 446725085 /nfs/dbraw/zinc/72/50/85/446725085.db2.gz YSLYTRKAXZWYET-JYJNAYRXSA-N 2 1 349.500 1.664 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000368235309 446728291 /nfs/dbraw/zinc/72/82/91/446728291.db2.gz HQWCTDZRIKEMQJ-WMLDXEAASA-N 2 1 329.460 1.114 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000368235309 446728297 /nfs/dbraw/zinc/72/82/97/446728297.db2.gz HQWCTDZRIKEMQJ-WMLDXEAASA-N 2 1 329.460 1.114 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000371269367 446728791 /nfs/dbraw/zinc/72/87/91/446728791.db2.gz SSLXGESAWBHROD-RTBURBONSA-N 2 1 344.503 1.228 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000371269367 446728799 /nfs/dbraw/zinc/72/87/99/446728799.db2.gz SSLXGESAWBHROD-RTBURBONSA-N 2 1 344.503 1.228 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000371269367 446728805 /nfs/dbraw/zinc/72/88/05/446728805.db2.gz SSLXGESAWBHROD-RTBURBONSA-N 2 1 344.503 1.228 20 0 EDADMP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000371271402 446730005 /nfs/dbraw/zinc/73/00/05/446730005.db2.gz QIVWNDVUZCQKFK-QRVBRYPASA-N 2 1 343.471 1.630 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1COCCN1CC1CCC1 ZINC000376811520 446733501 /nfs/dbraw/zinc/73/35/01/446733501.db2.gz JUOQKRRFETWWTH-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000423862330 446735442 /nfs/dbraw/zinc/73/54/42/446735442.db2.gz SEJKLEONXPWASI-XHSDSOJGSA-N 2 1 339.480 1.108 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000423862330 446735443 /nfs/dbraw/zinc/73/54/43/446735443.db2.gz SEJKLEONXPWASI-XHSDSOJGSA-N 2 1 339.480 1.108 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)C2([NH3+])CCCC2)[C@@H]1c1ccccc1 ZINC000423925806 446776593 /nfs/dbraw/zinc/77/65/93/446776593.db2.gz BWDDTNCWUVTNCX-IRXDYDNUSA-N 2 1 331.460 1.836 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)C2([NH3+])CCCC2)[C@@H]1c1ccccc1 ZINC000423925806 446776602 /nfs/dbraw/zinc/77/66/02/446776602.db2.gz BWDDTNCWUVTNCX-IRXDYDNUSA-N 2 1 331.460 1.836 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)CC[NH+]1CCN(CC)CC1 ZINC000423940189 446789940 /nfs/dbraw/zinc/78/99/40/446789940.db2.gz NBMSNOGZBQOOJG-GOSISDBHSA-N 2 1 332.492 1.393 20 0 EDADMP C[C@H]([NH3+])c1ccc(C(=O)NC2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423952194 446794842 /nfs/dbraw/zinc/79/48/42/446794842.db2.gz POQXSCXNMLUHPL-NNGSBXSVSA-N 2 1 330.476 1.653 20 0 EDADMP C[C@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423886041 446743424 /nfs/dbraw/zinc/74/34/24/446743424.db2.gz ZOYNIUBHPPXDHZ-SNRMKQJTSA-N 2 1 345.487 1.767 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C[NH3+] ZINC000423997630 446815046 /nfs/dbraw/zinc/81/50/46/446815046.db2.gz ACHQBMICBFRUNL-BPQIPLTHSA-N 2 1 331.460 1.331 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C[NH3+] ZINC000423997630 446815054 /nfs/dbraw/zinc/81/50/54/446815054.db2.gz ACHQBMICBFRUNL-BPQIPLTHSA-N 2 1 331.460 1.331 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H]4COC[C@@H]4C3)CC2)CC1 ZINC000620132003 450436814 /nfs/dbraw/zinc/43/68/14/450436814.db2.gz FGBQURIGOYVKST-MSOLQXFVSA-N 2 1 349.519 1.678 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC[N@H+]1C ZINC000418959168 446828811 /nfs/dbraw/zinc/82/88/11/446828811.db2.gz HFHYNCKDCSEQSO-ZBFHGGJFSA-N 2 1 338.496 1.014 20 0 EDADMP COC1(C[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CCOCC1 ZINC000376981898 446838747 /nfs/dbraw/zinc/83/87/47/446838747.db2.gz JXYSDFQUJWKXTR-INIZCTEOSA-N 2 1 334.464 1.847 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1c1ccccc1 ZINC000368497572 446899757 /nfs/dbraw/zinc/89/97/57/446899757.db2.gz ZWYBCCWRUCXPFD-FGTMMUONSA-N 2 1 331.460 1.516 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1c1ccccc1 ZINC000368497572 446899760 /nfs/dbraw/zinc/89/97/60/446899760.db2.gz ZWYBCCWRUCXPFD-FGTMMUONSA-N 2 1 331.460 1.516 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000368497572 446899766 /nfs/dbraw/zinc/89/97/66/446899766.db2.gz ZWYBCCWRUCXPFD-FGTMMUONSA-N 2 1 331.460 1.516 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000368497572 446899773 /nfs/dbraw/zinc/89/97/73/446899773.db2.gz ZWYBCCWRUCXPFD-FGTMMUONSA-N 2 1 331.460 1.516 20 0 EDADMP NC(=O)c1cc(OC2CC[NH+](CCC[NH+]3CCCCC3)CC2)ccn1 ZINC000368420526 446852126 /nfs/dbraw/zinc/85/21/26/446852126.db2.gz VJMOTBCYGFSFQF-UHFFFAOYSA-N 2 1 346.475 1.900 20 0 EDADMP Cc1cc(CNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc(C)n1 ZINC000420846434 446853923 /nfs/dbraw/zinc/85/39/23/446853923.db2.gz JCUOXIQIEQJXLV-QGZVFWFLSA-N 2 1 334.464 1.854 20 0 EDADMP Cc1cc(CNC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc(C)n1 ZINC000420846434 446853931 /nfs/dbraw/zinc/85/39/31/446853931.db2.gz JCUOXIQIEQJXLV-QGZVFWFLSA-N 2 1 334.464 1.854 20 0 EDADMP Cc1cccn2c(=O)cc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)nc12 ZINC000424285044 446864656 /nfs/dbraw/zinc/86/46/56/446864656.db2.gz DZEULQKJXLDLSU-HNNXBMFYSA-N 2 1 326.444 1.967 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])C[C@H](C)O1 ZINC000424452230 446873131 /nfs/dbraw/zinc/87/31/31/446873131.db2.gz HFSULJAPLASSMN-LXTVHRRPSA-N 2 1 326.485 1.443 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])C[C@H](C)O1 ZINC000424452230 446873137 /nfs/dbraw/zinc/87/31/37/446873137.db2.gz HFSULJAPLASSMN-LXTVHRRPSA-N 2 1 326.485 1.443 20 0 EDADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000377031547 446873217 /nfs/dbraw/zinc/87/32/17/446873217.db2.gz KAWAQQQIXSXEFK-HKUYNNGSSA-N 2 1 337.556 1.418 20 0 EDADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000377031547 446873223 /nfs/dbraw/zinc/87/32/23/446873223.db2.gz KAWAQQQIXSXEFK-HKUYNNGSSA-N 2 1 337.556 1.418 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000424455587 446874811 /nfs/dbraw/zinc/87/48/11/446874811.db2.gz NYOGMORDEIYPJT-UHFFFAOYSA-N 2 1 332.448 1.383 20 0 EDADMP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CCC1 ZINC000368467255 446881074 /nfs/dbraw/zinc/88/10/74/446881074.db2.gz VXRVBQXRLRIEJT-GVDBMIGSSA-N 2 1 337.508 1.772 20 0 EDADMP C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420963771 446933921 /nfs/dbraw/zinc/93/39/21/446933921.db2.gz MRNLMOVSGOIZGW-LPHOPBHVSA-N 2 1 334.460 1.491 20 0 EDADMP C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420963771 446933927 /nfs/dbraw/zinc/93/39/27/446933927.db2.gz MRNLMOVSGOIZGW-LPHOPBHVSA-N 2 1 334.460 1.491 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000442766370 446957359 /nfs/dbraw/zinc/95/73/59/446957359.db2.gz KXSDNHKPLQUKIK-STQMWFEESA-N 2 1 325.840 1.504 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000442766370 446957363 /nfs/dbraw/zinc/95/73/63/446957363.db2.gz KXSDNHKPLQUKIK-STQMWFEESA-N 2 1 325.840 1.504 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442777108 446965480 /nfs/dbraw/zinc/96/54/80/446965480.db2.gz CQARQCICINYMIN-HZPDHXFCSA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442777108 446965486 /nfs/dbraw/zinc/96/54/86/446965486.db2.gz CQARQCICINYMIN-HZPDHXFCSA-N 2 1 333.476 1.897 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000442779472 446965665 /nfs/dbraw/zinc/96/56/65/446965665.db2.gz LNUYMEUYDYJPCW-DGCLKSJQSA-N 2 1 327.375 1.573 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000442779472 446965674 /nfs/dbraw/zinc/96/56/74/446965674.db2.gz LNUYMEUYDYJPCW-DGCLKSJQSA-N 2 1 327.375 1.573 20 0 EDADMP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cccnc1 ZINC000372172678 447021204 /nfs/dbraw/zinc/02/12/04/447021204.db2.gz KYFPLOFETYENDS-CRAIPNDOSA-N 2 1 345.491 1.953 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442799193 446972675 /nfs/dbraw/zinc/97/26/75/446972675.db2.gz YYKLBEZIXMURLL-DZGCQCFKSA-N 2 1 335.448 1.331 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442799193 446972677 /nfs/dbraw/zinc/97/26/77/446972677.db2.gz YYKLBEZIXMURLL-DZGCQCFKSA-N 2 1 335.448 1.331 20 0 EDADMP C[C@@H](NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000372172678 447021212 /nfs/dbraw/zinc/02/12/12/447021212.db2.gz KYFPLOFETYENDS-CRAIPNDOSA-N 2 1 345.491 1.953 20 0 EDADMP CCC[NH+](C)CC(=O)N1CC[C@@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC000442820564 446979103 /nfs/dbraw/zinc/97/91/03/446979103.db2.gz BVQSXWPRUODWDS-SFHVURJKSA-N 2 1 340.512 1.025 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@]1(C)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC000442820564 446979109 /nfs/dbraw/zinc/97/91/09/446979109.db2.gz BVQSXWPRUODWDS-SFHVURJKSA-N 2 1 340.512 1.025 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@]1(C)CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC000442820564 446979114 /nfs/dbraw/zinc/97/91/14/446979114.db2.gz BVQSXWPRUODWDS-SFHVURJKSA-N 2 1 340.512 1.025 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368620237 446985003 /nfs/dbraw/zinc/98/50/03/446985003.db2.gz XMRDJIYQRTYADE-QZWWFDLISA-N 2 1 336.480 1.118 20 0 EDADMP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[C@@H]1CCC[N@H+]1C ZINC000421012565 446985878 /nfs/dbraw/zinc/98/58/78/446985878.db2.gz UCYONSCULCYPEY-ZWKOTPCHSA-N 2 1 332.492 1.432 20 0 EDADMP COCCCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000375783827 447044415 /nfs/dbraw/zinc/04/44/15/447044415.db2.gz ANJNVOCCZAERSM-HOCLYGCPSA-N 2 1 349.479 1.193 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](CC(C)(C)O)CC1 ZINC000368703611 447051709 /nfs/dbraw/zinc/05/17/09/447051709.db2.gz IWHQMPOIWJTPIR-INIZCTEOSA-N 2 1 340.512 1.349 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000368703611 447051716 /nfs/dbraw/zinc/05/17/16/447051716.db2.gz IWHQMPOIWJTPIR-INIZCTEOSA-N 2 1 340.512 1.349 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000368703611 447051720 /nfs/dbraw/zinc/05/17/20/447051720.db2.gz IWHQMPOIWJTPIR-INIZCTEOSA-N 2 1 340.512 1.349 20 0 EDADMP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3c[nH+]c4n3CCCC4)CC[C@@H]21 ZINC000377313933 447059350 /nfs/dbraw/zinc/05/93/50/447059350.db2.gz ALWNQNBLWXEFML-HOCLYGCPSA-N 2 1 331.464 1.845 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3c[nH+]c4n3CCCC4)CC[C@@H]21 ZINC000377313933 447059358 /nfs/dbraw/zinc/05/93/58/447059358.db2.gz ALWNQNBLWXEFML-HOCLYGCPSA-N 2 1 331.464 1.845 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CCC(C)(C)O3)C2)CC1 ZINC000372485170 447080687 /nfs/dbraw/zinc/08/06/87/447080687.db2.gz PSNARULRYQFXQM-HOCLYGCPSA-N 2 1 338.496 1.412 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@H]3CCC(C)(C)O3)C2)CC1 ZINC000372485170 447080694 /nfs/dbraw/zinc/08/06/94/447080694.db2.gz PSNARULRYQFXQM-HOCLYGCPSA-N 2 1 338.496 1.412 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1F ZINC000444176036 447089668 /nfs/dbraw/zinc/08/96/68/447089668.db2.gz NEBKFHMEENHZEM-KDOFPFPSSA-N 2 1 328.391 1.936 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000419403454 447154353 /nfs/dbraw/zinc/15/43/53/447154353.db2.gz DVPRNAOCCDCCFV-OAHLLOKOSA-N 2 1 338.496 1.016 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)NC1CCC([NH3+])CC1)C1CCCCC1 ZINC000419409264 447158793 /nfs/dbraw/zinc/15/87/93/447158793.db2.gz MVLYRDUVABLVGS-UHFFFAOYSA-N 2 1 338.496 1.143 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000425437636 447161523 /nfs/dbraw/zinc/16/15/23/447161523.db2.gz BJTKEEJHIFIEAH-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000425463312 447175128 /nfs/dbraw/zinc/17/51/28/447175128.db2.gz HOCXDYZPHGVHDS-GJZGRUSLSA-N 2 1 338.496 1.364 20 0 EDADMP C[NH+]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000372610057 447180756 /nfs/dbraw/zinc/18/07/56/447180756.db2.gz ZISYZMDOZJIXNN-UHFFFAOYSA-N 2 1 348.466 1.995 20 0 EDADMP C[N@@H+](CCCCNC(=O)N1CCN(Cc2cccnc2)CC1)C1CC1 ZINC000455610475 447183229 /nfs/dbraw/zinc/18/32/29/447183229.db2.gz LMANOHMDJMGKDB-UHFFFAOYSA-N 2 1 345.491 1.783 20 0 EDADMP c1ccc(C[N@H+]2CC[C@H]3CN(CCCN4CCOCC4)C[C@H]32)cc1 ZINC000425504668 447198941 /nfs/dbraw/zinc/19/89/41/447198941.db2.gz WVKPJGYRWKWKFA-VQTJNVASSA-N 2 1 329.488 1.915 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@H]3CN(CCCN4CCOCC4)C[C@H]32)cc1 ZINC000425504668 447198952 /nfs/dbraw/zinc/19/89/52/447198952.db2.gz WVKPJGYRWKWKFA-VQTJNVASSA-N 2 1 329.488 1.915 20 0 EDADMP COc1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1O ZINC000377619549 447248857 /nfs/dbraw/zinc/24/88/57/447248857.db2.gz DATIMPDXMJHNAN-QGZVFWFLSA-N 2 1 333.476 1.860 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1O ZINC000377619549 447248862 /nfs/dbraw/zinc/24/88/62/447248862.db2.gz DATIMPDXMJHNAN-QGZVFWFLSA-N 2 1 333.476 1.860 20 0 EDADMP C[C@H](CC[NH2+]C[C@@H](O)CN1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000379631022 447453373 /nfs/dbraw/zinc/45/33/73/447453373.db2.gz LQFZLJZIJXRYQF-IEBWSBKVSA-N 2 1 335.492 1.180 20 0 EDADMP C[NH+](C)CCc1ccc(CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1 ZINC000458691011 447454444 /nfs/dbraw/zinc/45/44/44/447454444.db2.gz OVLUNVBYBOHLFU-ZWKOTPCHSA-N 2 1 330.476 1.636 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000415472401 447464890 /nfs/dbraw/zinc/46/48/90/447464890.db2.gz WRQULJANXZDFFE-CYBMUJFWSA-N 2 1 338.839 1.290 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCCC2)C[C@@H]1C ZINC000458845287 447488140 /nfs/dbraw/zinc/48/81/40/447488140.db2.gz IYUJPIXGMYXFJQ-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCCC2)C[C@@H]1C ZINC000458845287 447488148 /nfs/dbraw/zinc/48/81/48/447488148.db2.gz IYUJPIXGMYXFJQ-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000457529214 447588556 /nfs/dbraw/zinc/58/85/56/447588556.db2.gz MDZOIYSGNAZVBA-SFHVURJKSA-N 2 1 348.491 1.394 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000416203733 447535893 /nfs/dbraw/zinc/53/58/93/447535893.db2.gz YRSCKRCMNYFROR-PKOBYXMFSA-N 2 1 327.472 1.987 20 0 EDADMP C[NH+]1CC[C@H]2CCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000416203733 447535897 /nfs/dbraw/zinc/53/58/97/447535897.db2.gz YRSCKRCMNYFROR-PKOBYXMFSA-N 2 1 327.472 1.987 20 0 EDADMP C[NH+]1CC[C@H]2CCN(C(=O)CC[N@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000416203733 447535901 /nfs/dbraw/zinc/53/59/01/447535901.db2.gz YRSCKRCMNYFROR-PKOBYXMFSA-N 2 1 327.472 1.987 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CC1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427156241 447554705 /nfs/dbraw/zinc/55/47/05/447554705.db2.gz XIUFALCFSYKNJW-QZTJIDSGSA-N 2 1 335.492 1.717 20 0 EDADMP COC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000398105980 447556391 /nfs/dbraw/zinc/55/63/91/447556391.db2.gz BNODITHIRSXEAS-FUHWJXTLSA-N 2 1 345.487 1.782 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420034009 447557925 /nfs/dbraw/zinc/55/79/25/447557925.db2.gz BVRUKDAAYFRBCE-MRXNPFEDSA-N 2 1 338.496 1.016 20 0 EDADMP [NH3+][C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000399055330 447562299 /nfs/dbraw/zinc/56/22/99/447562299.db2.gz XAQOFFYZWDXBJB-ROUUACIJSA-N 2 1 331.460 1.521 20 0 EDADMP C[C@@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)CN1CC[NH+](C)CC1 ZINC000457558230 447597331 /nfs/dbraw/zinc/59/73/31/447597331.db2.gz PYPRZBBREBTGHF-INIZCTEOSA-N 2 1 336.524 1.251 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459254955 447622500 /nfs/dbraw/zinc/62/25/00/447622500.db2.gz HXDHACANAYFFHC-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459254955 447622502 /nfs/dbraw/zinc/62/25/02/447622502.db2.gz HXDHACANAYFFHC-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000420135174 447626411 /nfs/dbraw/zinc/62/64/11/447626411.db2.gz UPBWHMYFAIRYQM-PBHICJAKSA-N 2 1 344.459 1.019 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000420135174 447626419 /nfs/dbraw/zinc/62/64/19/447626419.db2.gz UPBWHMYFAIRYQM-PBHICJAKSA-N 2 1 344.459 1.019 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000416861972 447698295 /nfs/dbraw/zinc/69/82/95/447698295.db2.gz FOUPYKXSEDFIQV-HZPDHXFCSA-N 2 1 326.485 1.032 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416890327 447702658 /nfs/dbraw/zinc/70/26/58/447702658.db2.gz WOAAKDNNCIQQJY-SFHVURJKSA-N 2 1 348.491 1.836 20 0 EDADMP C[C@H]1CN(Cc2cnc(C3CC3)nc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000459562478 447706482 /nfs/dbraw/zinc/70/64/82/447706482.db2.gz PXZNQVYPIURTPT-HNNXBMFYSA-N 2 1 329.492 1.954 20 0 EDADMP C[C@H]1CN(Cc2cnc(C3CC3)nc2)CC[N@H+]1C1CCN(C)CC1 ZINC000459562478 447706490 /nfs/dbraw/zinc/70/64/90/447706490.db2.gz PXZNQVYPIURTPT-HNNXBMFYSA-N 2 1 329.492 1.954 20 0 EDADMP C[C@@H]1NC(=O)N(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000459417342 447658205 /nfs/dbraw/zinc/65/82/05/447658205.db2.gz YSLYTBFHXRDDHE-ZOBUZTSGSA-N 2 1 344.459 1.427 20 0 EDADMP C[C@@H]1NC(=O)N(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000459417342 447658212 /nfs/dbraw/zinc/65/82/12/447658212.db2.gz YSLYTBFHXRDDHE-ZOBUZTSGSA-N 2 1 344.459 1.427 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C[C@@H]1C[NH3+] ZINC000422637205 447682659 /nfs/dbraw/zinc/68/26/59/447682659.db2.gz OEQLFTGBQRRHIJ-FXUDXRNXSA-N 2 1 347.459 1.248 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C[C@@H]1C[NH3+] ZINC000422637205 447682664 /nfs/dbraw/zinc/68/26/64/447682664.db2.gz OEQLFTGBQRRHIJ-FXUDXRNXSA-N 2 1 347.459 1.248 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000422637368 447682941 /nfs/dbraw/zinc/68/29/41/447682941.db2.gz OLBVSFYFPXEJMQ-GMTAPVOTSA-N 2 1 338.374 1.070 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000416938088 447716009 /nfs/dbraw/zinc/71/60/09/447716009.db2.gz KKMMWMWXPWRMRM-JKSUJKDBSA-N 2 1 328.501 1.550 20 0 EDADMP CCCN(C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000416947371 447720811 /nfs/dbraw/zinc/72/08/11/447720811.db2.gz XZVKBWBYUHYRRY-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000416947954 447722078 /nfs/dbraw/zinc/72/20/78/447722078.db2.gz PLFORGZWDOPQGB-IYBDPMFKSA-N 2 1 338.496 1.271 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000416948128 447722716 /nfs/dbraw/zinc/72/27/16/447722716.db2.gz YTTNCCUYJJYWPG-NVXWUHKLSA-N 2 1 326.485 1.114 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000417026256 447730590 /nfs/dbraw/zinc/73/05/90/447730590.db2.gz ABFQGQRDANFHKE-IXDOHACOSA-N 2 1 340.512 1.646 20 0 EDADMP C[NH+](C)C1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCOCC1 ZINC000422727603 447730996 /nfs/dbraw/zinc/73/09/96/447730996.db2.gz HNXPQIMLDLCNFK-XLIONFOSSA-N 2 1 345.487 1.943 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)NCC[C@H]3CCC[N@@H+](C)C3)ccn2)CC1 ZINC000458179380 447738054 /nfs/dbraw/zinc/73/80/54/447738054.db2.gz YAOMJQWXAXOEOH-MRXNPFEDSA-N 2 1 345.491 1.295 20 0 EDADMP O=C(C[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000459714221 447749475 /nfs/dbraw/zinc/74/94/75/447749475.db2.gz KYCYUDYBMITILM-IRXDYDNUSA-N 2 1 333.476 1.230 20 0 EDADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000422789669 447750414 /nfs/dbraw/zinc/75/04/14/447750414.db2.gz OUPCAIUZHUZKJE-RDTXWAMCSA-N 2 1 327.428 1.599 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000459728587 447753570 /nfs/dbraw/zinc/75/35/70/447753570.db2.gz IKJQPWINJVDQBM-INIZCTEOSA-N 2 1 336.480 1.885 20 0 EDADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422914781 447771553 /nfs/dbraw/zinc/77/15/53/447771553.db2.gz VZJSBZUPODBKGF-UHFFFAOYSA-N 3 1 330.476 1.354 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCC[C@H]2C[NH3+])CC1 ZINC000430554466 447777389 /nfs/dbraw/zinc/77/73/89/447777389.db2.gz NFPYJNZKIRRICW-SFHVURJKSA-N 2 1 330.476 1.062 20 0 EDADMP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1S(N)(=O)=O ZINC000423018045 447791782 /nfs/dbraw/zinc/79/17/82/447791782.db2.gz PZBWWBREWHLJDE-GXTWGEPZSA-N 2 1 341.477 1.005 20 0 EDADMP CC(C)C[C@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)NCC[NH+](C)C ZINC000423021417 447792117 /nfs/dbraw/zinc/79/21/17/447792117.db2.gz CAHFKQZYYXVXEQ-SQNIBIBYSA-N 2 1 340.556 1.979 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000462018722 447797559 /nfs/dbraw/zinc/79/75/59/447797559.db2.gz WBLHFIZVUJWIBE-OAGGEKHMSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000462018722 447797563 /nfs/dbraw/zinc/79/75/63/447797563.db2.gz WBLHFIZVUJWIBE-OAGGEKHMSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000462018722 447797567 /nfs/dbraw/zinc/79/75/67/447797567.db2.gz WBLHFIZVUJWIBE-OAGGEKHMSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)C[C@H]1C ZINC000462005787 447798113 /nfs/dbraw/zinc/79/81/13/447798113.db2.gz VEHQUXKYWXRCGW-BZUAXINKSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000462005787 447798114 /nfs/dbraw/zinc/79/81/14/447798114.db2.gz VEHQUXKYWXRCGW-BZUAXINKSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000462005787 447798115 /nfs/dbraw/zinc/79/81/15/447798115.db2.gz VEHQUXKYWXRCGW-BZUAXINKSA-N 2 1 328.501 1.203 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3C[C@H]3C)C[C@H](C)C2)C1 ZINC000489165890 447852183 /nfs/dbraw/zinc/85/21/83/447852183.db2.gz FODVHTZWZINZGU-VVLHAWIVSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000479648920 447823640 /nfs/dbraw/zinc/82/36/40/447823640.db2.gz QTWMKBWEBHPWSV-IRXDYDNUSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000479648920 447823642 /nfs/dbraw/zinc/82/36/42/447823642.db2.gz QTWMKBWEBHPWSV-IRXDYDNUSA-N 2 1 340.512 1.349 20 0 EDADMP Cc1ccc(NC(=O)CC[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)nc1 ZINC000576030251 447955170 /nfs/dbraw/zinc/95/51/70/447955170.db2.gz SGGOIPLTPVPKJR-INIZCTEOSA-N 2 1 334.464 1.401 20 0 EDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497206028 447958411 /nfs/dbraw/zinc/95/84/11/447958411.db2.gz AMORHNLQELSGPE-CVEARBPZSA-N 2 1 335.448 1.552 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)C[NH+]1CCC2CC1 ZINC000496843244 447960392 /nfs/dbraw/zinc/96/03/92/447960392.db2.gz APPCQUPIGGZQPN-SOLBZPMBSA-N 2 1 335.448 1.504 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)C[NH+]1CCC2CC1 ZINC000496843244 447960395 /nfs/dbraw/zinc/96/03/95/447960395.db2.gz APPCQUPIGGZQPN-SOLBZPMBSA-N 2 1 335.448 1.504 20 0 EDADMP C[C@@H]1C[N@@H+](C)CCN1Cc1cncc(CN2CC[NH+](C)C[C@@H]2C)c1 ZINC000569917595 447915458 /nfs/dbraw/zinc/91/54/58/447915458.db2.gz KHYORXSKSGLUHJ-CALCHBBNSA-N 2 1 331.508 1.353 20 0 EDADMP C[C@@H]1C[NH+](C)CCN1Cc1cncc(CN2CC[N@H+](C)C[C@@H]2C)c1 ZINC000569917595 447915465 /nfs/dbraw/zinc/91/54/65/447915465.db2.gz KHYORXSKSGLUHJ-CALCHBBNSA-N 2 1 331.508 1.353 20 0 EDADMP C[C@@H]1C[NH+](C)CCN1Cc1cncc(CN2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000569917595 447915470 /nfs/dbraw/zinc/91/54/70/447915470.db2.gz KHYORXSKSGLUHJ-CALCHBBNSA-N 2 1 331.508 1.353 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000525369745 447997288 /nfs/dbraw/zinc/99/72/88/447997288.db2.gz FZIFGELUAAZGSV-DOTOQJQBSA-N 2 1 325.497 1.626 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000530830420 447967888 /nfs/dbraw/zinc/96/78/88/447967888.db2.gz AAVAQRJFUPECMG-HOTGVXAUSA-N 2 1 339.867 1.780 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000530830420 447967894 /nfs/dbraw/zinc/96/78/94/447967894.db2.gz AAVAQRJFUPECMG-HOTGVXAUSA-N 2 1 339.867 1.780 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1C ZINC000491447351 448030374 /nfs/dbraw/zinc/03/03/74/448030374.db2.gz OIPZEBMOGARSOJ-KGLIPLIRSA-N 2 1 334.468 1.754 20 0 EDADMP CC[NH+]1CCC(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000531291387 448054145 /nfs/dbraw/zinc/05/41/45/448054145.db2.gz BPRMUCKPORHRPU-LJQANCHMSA-N 2 1 331.460 1.224 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531300911 448057675 /nfs/dbraw/zinc/05/76/75/448057675.db2.gz FVPYYJZVJNBMDA-LPHOPBHVSA-N 2 1 331.460 1.176 20 0 EDADMP C[C@H]1CC[NH+](C)CCN1C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531300911 448057679 /nfs/dbraw/zinc/05/76/79/448057679.db2.gz FVPYYJZVJNBMDA-LPHOPBHVSA-N 2 1 331.460 1.176 20 0 EDADMP C[C@H]1CC[NH+](C)CCN1C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531300911 448057683 /nfs/dbraw/zinc/05/76/83/448057683.db2.gz FVPYYJZVJNBMDA-LPHOPBHVSA-N 2 1 331.460 1.176 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C ZINC000500878441 448088643 /nfs/dbraw/zinc/08/86/43/448088643.db2.gz YZZINJXCTSPPCV-JYJNAYRXSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000500878441 448088653 /nfs/dbraw/zinc/08/86/53/448088653.db2.gz YZZINJXCTSPPCV-JYJNAYRXSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000500878441 448088660 /nfs/dbraw/zinc/08/86/60/448088660.db2.gz YZZINJXCTSPPCV-JYJNAYRXSA-N 2 1 326.485 1.221 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000531489697 448093225 /nfs/dbraw/zinc/09/32/25/448093225.db2.gz OFDJVVSWWWSSQN-OAHLLOKOSA-N 2 1 349.450 1.737 20 0 EDADMP CC[C@@H]1CN(C[C@@H](O)C[NH+](C)CCOC)CC[N@H+]1Cc1ccccc1 ZINC000571460373 448157840 /nfs/dbraw/zinc/15/78/40/448157840.db2.gz RFZFCSXUHGDCKK-UXHICEINSA-N 2 1 349.519 1.522 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000531695791 448128799 /nfs/dbraw/zinc/12/87/99/448128799.db2.gz XBAKOCBALDZYCM-UKPHBRMFSA-N 2 1 347.459 1.241 20 0 EDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531714374 448131205 /nfs/dbraw/zinc/13/12/05/448131205.db2.gz CGNZQYQWKZFKEQ-AYOQOUSVSA-N 2 1 344.503 1.424 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)Cc1ccccc1 ZINC000571301031 448133091 /nfs/dbraw/zinc/13/30/91/448133091.db2.gz HEDWRWVDRVMNDA-IBGZPJMESA-N 2 1 330.476 1.904 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000526995649 448133598 /nfs/dbraw/zinc/13/35/98/448133598.db2.gz CGAJDIWCBSULGY-HNNXBMFYSA-N 2 1 342.447 1.531 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000526995649 448133602 /nfs/dbraw/zinc/13/36/02/448133602.db2.gz CGAJDIWCBSULGY-HNNXBMFYSA-N 2 1 342.447 1.531 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)Cn3cccn3)c2)CCO1 ZINC000571316365 448137250 /nfs/dbraw/zinc/13/72/50/448137250.db2.gz WNUNGDHXRCRQCV-LPHOPBHVSA-N 2 1 344.459 1.255 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)Cn3cccn3)c2)CCO1 ZINC000571316365 448137252 /nfs/dbraw/zinc/13/72/52/448137252.db2.gz WNUNGDHXRCRQCV-LPHOPBHVSA-N 2 1 344.459 1.255 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CCC1 ZINC000527076239 448152902 /nfs/dbraw/zinc/15/29/02/448152902.db2.gz OPJBBDNMDRKWMF-HZPDHXFCSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000514785796 448202776 /nfs/dbraw/zinc/20/27/76/448202776.db2.gz UQVVAWYAGHCJHT-MRXNPFEDSA-N 2 1 339.867 1.829 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000527515899 448244399 /nfs/dbraw/zinc/24/43/99/448244399.db2.gz NTIZAKRJSUYNHV-UHFFFAOYSA-N 2 1 333.436 1.016 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000515221300 448277726 /nfs/dbraw/zinc/27/77/26/448277726.db2.gz FTWCBUXIFLEUMN-CGTJXYLNSA-N 2 1 348.491 1.558 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000515221300 448277728 /nfs/dbraw/zinc/27/77/28/448277728.db2.gz FTWCBUXIFLEUMN-CGTJXYLNSA-N 2 1 348.491 1.558 20 0 EDADMP CC[C@H](NC(=O)C1(C)C[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000577615432 448342682 /nfs/dbraw/zinc/34/26/82/448342682.db2.gz MXPCLYOZUPMDFG-IRXDYDNUSA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@H](NC(=O)C1(C)C[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000577615432 448342684 /nfs/dbraw/zinc/34/26/84/448342684.db2.gz MXPCLYOZUPMDFG-IRXDYDNUSA-N 2 1 331.460 1.392 20 0 EDADMP CC[N@@H+]1CCc2nc(NC(=O)COC3CCC([NH3+])CC3)sc2C1 ZINC000515838498 448355351 /nfs/dbraw/zinc/35/53/51/448355351.db2.gz ZPIMSODZWPIGIB-UHFFFAOYSA-N 2 1 338.477 1.746 20 0 EDADMP CC[N@H+]1CCc2nc(NC(=O)COC3CCC([NH3+])CC3)sc2C1 ZINC000515838498 448355354 /nfs/dbraw/zinc/35/53/54/448355354.db2.gz ZPIMSODZWPIGIB-UHFFFAOYSA-N 2 1 338.477 1.746 20 0 EDADMP COc1cccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[NH+]2CCCC2)c1 ZINC000591418229 448357612 /nfs/dbraw/zinc/35/76/12/448357612.db2.gz UNESNPVCMWVXGT-AEFFLSMTSA-N 2 1 331.460 1.900 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccnn2CC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000577581918 448331053 /nfs/dbraw/zinc/33/10/53/448331053.db2.gz MKEHKANGJCIUTC-HNNXBMFYSA-N 2 1 348.495 1.783 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000591571371 448394173 /nfs/dbraw/zinc/39/41/73/448394173.db2.gz LJCLOPWMXCFESZ-KRWDZBQOSA-N 2 1 338.496 1.225 20 0 EDADMP CN(CCc1nnnn1-c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000577878164 448410502 /nfs/dbraw/zinc/41/05/02/448410502.db2.gz PFZOONSMCARGKS-SJPCQFCGSA-N 2 1 326.448 1.762 20 0 EDADMP C[N@H+](CCc1nnnn1-c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000577878164 448410507 /nfs/dbraw/zinc/41/05/07/448410507.db2.gz PFZOONSMCARGKS-SJPCQFCGSA-N 2 1 326.448 1.762 20 0 EDADMP C[NH+](CCc1nnnn1-c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000577878164 448410528 /nfs/dbraw/zinc/41/05/28/448410528.db2.gz PFZOONSMCARGKS-SJPCQFCGSA-N 2 1 326.448 1.762 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN(Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000572703509 448442539 /nfs/dbraw/zinc/44/25/39/448442539.db2.gz KJDCKKQTUJKLAP-AZUAARDMSA-N 2 1 349.519 1.522 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC34CCOCC4)CC2)CC1 ZINC000578082705 448458594 /nfs/dbraw/zinc/45/85/94/448458594.db2.gz ZIYXAROTIOXRRN-GOSISDBHSA-N 2 1 349.519 1.868 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000578155521 448473590 /nfs/dbraw/zinc/47/35/90/448473590.db2.gz QEMYPFPIELYINY-GOOCMWNKSA-N 2 1 334.468 1.582 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](c4cccnc4)C3)cn2)CC1 ZINC000516771593 448472178 /nfs/dbraw/zinc/47/21/78/448472178.db2.gz PSBTXMDBHLSSBS-SFHVURJKSA-N 2 1 338.459 1.613 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](c4cccnc4)C3)cn2)CC1 ZINC000516771593 448472185 /nfs/dbraw/zinc/47/21/85/448472185.db2.gz PSBTXMDBHLSSBS-SFHVURJKSA-N 2 1 338.459 1.613 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c[nH]c(C(N)=O)c3)CC2)CC1 ZINC000566569998 448510945 /nfs/dbraw/zinc/51/09/45/448510945.db2.gz ICUSLYLULZXICL-UHFFFAOYSA-N 2 1 347.463 1.248 20 0 EDADMP C[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)C[NH+]1CCOCC1 ZINC000573071663 448534047 /nfs/dbraw/zinc/53/40/47/448534047.db2.gz JQAQVNGAHOABQS-CQSZACIVSA-N 2 1 332.448 1.422 20 0 EDADMP CC[NH+]1CCN(c2ccc(CNC(=O)C[N@H+]3CC[C@@H](C)C3)cn2)CC1 ZINC000573218061 448571938 /nfs/dbraw/zinc/57/19/38/448571938.db2.gz YREJCEPJLISAAW-MRXNPFEDSA-N 2 1 345.491 1.182 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)n1C ZINC000573224684 448575737 /nfs/dbraw/zinc/57/57/37/448575737.db2.gz LZLDXPOKOPAEGS-INIZCTEOSA-N 2 1 342.447 1.172 20 0 EDADMP COCCc1ccc(OC[C@@H](O)C[N@H+]2[C@@H]3CC[C@H]2CCN(C)C3)cc1 ZINC000566688132 448539321 /nfs/dbraw/zinc/53/93/21/448539321.db2.gz WGYCLWGWKAXLLB-OTWHNJEPSA-N 2 1 348.487 1.784 20 0 EDADMP COCCc1ccc(OC[C@@H](O)C[N@@H+]2[C@@H]3CC[C@H]2CCN(C)C3)cc1 ZINC000566688132 448539327 /nfs/dbraw/zinc/53/93/27/448539327.db2.gz WGYCLWGWKAXLLB-OTWHNJEPSA-N 2 1 348.487 1.784 20 0 EDADMP COc1ccc(C(C)(C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1F ZINC000528677748 448626003 /nfs/dbraw/zinc/62/60/03/448626003.db2.gz KBRNJUKPRREKSV-UHFFFAOYSA-N 2 1 337.439 1.823 20 0 EDADMP CS(=O)(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000584634825 448587708 /nfs/dbraw/zinc/58/77/08/448587708.db2.gz MVJWCWSFBGVZHH-OAHLLOKOSA-N 2 1 329.510 1.407 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1)C(C)C ZINC000567268632 448655299 /nfs/dbraw/zinc/65/52/99/448655299.db2.gz MBGOTWJUDPXVQZ-SFHVURJKSA-N 2 1 332.492 1.550 20 0 EDADMP COC(=O)CC[N@@H+](C[C@H](C[NH3+])c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000573556162 448657533 /nfs/dbraw/zinc/65/75/33/448657533.db2.gz LBZCJFNURNOXPS-DOTOQJQBSA-N 2 1 338.423 1.912 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000528675625 448626459 /nfs/dbraw/zinc/62/64/59/448626459.db2.gz FOCRSLYNWRNYEH-UHFFFAOYSA-N 2 1 333.480 1.258 20 0 EDADMP COC(=O)CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CCCO1 ZINC000573450729 448631046 /nfs/dbraw/zinc/63/10/46/448631046.db2.gz CMHIGSFNXUSQGM-SFHVURJKSA-N 2 1 332.444 1.876 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000567463974 448699513 /nfs/dbraw/zinc/69/95/13/448699513.db2.gz AGNFKAVIHSFAQT-HNNXBMFYSA-N 2 1 332.448 1.192 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000519147806 448746563 /nfs/dbraw/zinc/74/65/63/448746563.db2.gz WPNTWWGHBRUPEP-CABCVRRESA-N 2 1 336.505 1.295 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@H+]1C[C@H](C)O ZINC000545884208 448804906 /nfs/dbraw/zinc/80/49/06/448804906.db2.gz PUZMHNYRBHPGKQ-IRXDYDNUSA-N 2 1 338.496 1.125 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC[NH+]1C[C@H](C)O ZINC000545884208 448804912 /nfs/dbraw/zinc/80/49/12/448804912.db2.gz PUZMHNYRBHPGKQ-IRXDYDNUSA-N 2 1 338.496 1.125 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[N@@H+]2CC=C(C)CC2)CC[NH+]1C[C@H](C)O ZINC000545884208 448804917 /nfs/dbraw/zinc/80/49/17/448804917.db2.gz PUZMHNYRBHPGKQ-IRXDYDNUSA-N 2 1 338.496 1.125 20 0 EDADMP C[NH2+]C[C@@](C)(O)CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000568049951 448807092 /nfs/dbraw/zinc/80/70/92/448807092.db2.gz ANSTXDRHGUPYAL-QGZVFWFLSA-N 2 1 325.884 1.818 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000568052758 448807935 /nfs/dbraw/zinc/80/79/35/448807935.db2.gz HGHSDUWYBMGVFQ-UHFFFAOYSA-N 2 1 326.485 1.271 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]([NH3+])C3CCC3)cc2)CC1 ZINC000579468322 448801095 /nfs/dbraw/zinc/80/10/95/448801095.db2.gz CEDRYIUAAYNYOA-LJQANCHMSA-N 2 1 344.503 1.568 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)[C@H]1c1ccccc1 ZINC000529322947 448823419 /nfs/dbraw/zinc/82/34/19/448823419.db2.gz RXTKTJYOBXCUBY-JKSUJKDBSA-N 2 1 332.448 1.239 20 0 EDADMP CCN1CCC([NH+]2CCC(C(=O)NC[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000568199381 448836778 /nfs/dbraw/zinc/83/67/78/448836778.db2.gz VVMXNGCBTKLZBU-GOSISDBHSA-N 2 1 336.524 1.393 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000568199381 448836781 /nfs/dbraw/zinc/83/67/81/448836781.db2.gz VVMXNGCBTKLZBU-GOSISDBHSA-N 3 1 336.524 1.393 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000568199381 448836784 /nfs/dbraw/zinc/83/67/84/448836784.db2.gz VVMXNGCBTKLZBU-GOSISDBHSA-N 3 1 336.524 1.393 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@@H](c2ccccc2)C1 ZINC000529363097 448841650 /nfs/dbraw/zinc/84/16/50/448841650.db2.gz ZPCOQPREDVVVAA-SJORKVTESA-N 2 1 328.460 1.969 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@@H](c2ccccc2)C1 ZINC000529363097 448841654 /nfs/dbraw/zinc/84/16/54/448841654.db2.gz ZPCOQPREDVVVAA-SJORKVTESA-N 2 1 328.460 1.969 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC[N@H+]1CCOC ZINC000579715256 448861153 /nfs/dbraw/zinc/86/11/53/448861153.db2.gz VKOQVDLKKZBMJU-MJGOQNOKSA-N 2 1 345.487 1.833 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000579969072 448926031 /nfs/dbraw/zinc/92/60/31/448926031.db2.gz BVFOVMNUJROLAZ-CQSZACIVSA-N 2 1 332.448 1.857 20 0 EDADMP Cn1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(-c2cccnc2)n1 ZINC000579832513 448890507 /nfs/dbraw/zinc/89/05/07/448890507.db2.gz GKIOBUFJPVPEKL-KRWDZBQOSA-N 2 1 341.459 1.669 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000521005248 448945459 /nfs/dbraw/zinc/94/54/59/448945459.db2.gz SOOHOWZKCFKSPX-KRWDZBQOSA-N 2 1 339.528 1.221 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000582074160 449005213 /nfs/dbraw/zinc/00/52/13/449005213.db2.gz DIJWTPFRTWQVQT-MSOLQXFVSA-N 2 1 330.476 1.697 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000521455801 448989179 /nfs/dbraw/zinc/98/91/79/448989179.db2.gz TVDGKKGDSSGSIY-OALUTQOASA-N 2 1 341.540 1.514 20 0 EDADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)C1 ZINC000575359850 449084437 /nfs/dbraw/zinc/08/44/37/449084437.db2.gz KVIDYUAYFBNEKG-WBVHZDCISA-N 2 1 335.423 1.983 20 0 EDADMP CSC1(CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+](C)CC1 ZINC000595633814 449092210 /nfs/dbraw/zinc/09/22/10/449092210.db2.gz ADOQIQKLWWUGNN-CQSZACIVSA-N 2 1 342.553 1.986 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC000593314280 449223181 /nfs/dbraw/zinc/22/31/81/449223181.db2.gz BONNRRLXPCILPO-YJBOKZPZSA-N 2 1 334.464 1.624 20 0 EDADMP NC(=O)NC(=O)CC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596064014 449342418 /nfs/dbraw/zinc/34/24/18/449342418.db2.gz AICCINDHBYQJQT-INIZCTEOSA-N 2 1 344.459 1.463 20 0 EDADMP C[NH+](C)C1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000605401531 449373602 /nfs/dbraw/zinc/37/36/02/449373602.db2.gz ZJMNARAWLFSGBY-LJQANCHMSA-N 2 1 331.460 1.176 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000606700653 449511412 /nfs/dbraw/zinc/51/14/12/449511412.db2.gz OBLBKGYBSDLWHP-DOTOQJQBSA-N 2 1 340.512 1.469 20 0 EDADMP O=C(NCC12CCC[NH+]1CCC2)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000614226944 449515850 /nfs/dbraw/zinc/51/58/50/449515850.db2.gz MNONGJKFSWVQCD-FQEVSTJZSA-N 2 1 343.471 1.368 20 0 EDADMP C[NH+]1CCN(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000600975215 449627035 /nfs/dbraw/zinc/62/70/35/449627035.db2.gz MOTDITWBXRZTIS-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP C[NH+]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000600975215 449627043 /nfs/dbraw/zinc/62/70/43/449627043.db2.gz MOTDITWBXRZTIS-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@](C)(O)Cc1ccccc1 ZINC000617505717 449653903 /nfs/dbraw/zinc/65/39/03/449653903.db2.gz NKPIKZWVKXKPCX-QFBILLFUSA-N 2 1 335.492 1.368 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@](C)(O)Cc1ccccc1 ZINC000617505717 449653910 /nfs/dbraw/zinc/65/39/10/449653910.db2.gz NKPIKZWVKXKPCX-QFBILLFUSA-N 2 1 335.492 1.368 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC000601243549 449769707 /nfs/dbraw/zinc/76/97/07/449769707.db2.gz QJNRCJMDFNXNBA-IYBDPMFKSA-N 2 1 340.512 1.110 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000599307845 449880044 /nfs/dbraw/zinc/88/00/44/449880044.db2.gz FAMLUPOGNSLDGW-LJQANCHMSA-N 2 1 344.503 1.799 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844337 449851560 /nfs/dbraw/zinc/85/15/60/449851560.db2.gz AWIQOUCKOHWSRF-AWEZNQCLSA-N 2 1 333.436 1.216 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844337 449851564 /nfs/dbraw/zinc/85/15/64/449851564.db2.gz AWIQOUCKOHWSRF-AWEZNQCLSA-N 2 1 333.436 1.216 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846024 449852978 /nfs/dbraw/zinc/85/29/78/449852978.db2.gz ORWMZPDXLLMBTI-HNNXBMFYSA-N 2 1 347.463 1.464 20 0 EDADMP Cn1cc(C(C)(C)NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000608685825 449907672 /nfs/dbraw/zinc/90/76/72/449907672.db2.gz FUGHIEIKAPYCHI-OAHLLOKOSA-N 2 1 348.495 1.123 20 0 EDADMP Cn1cc(C(C)(C)NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000608685825 449907679 /nfs/dbraw/zinc/90/76/79/449907679.db2.gz FUGHIEIKAPYCHI-OAHLLOKOSA-N 2 1 348.495 1.123 20 0 EDADMP CCN(C(=O)c1cccc(N2CC[NH+](C)CC2)n1)[C@H]1CC[N@@H+](CC)C1 ZINC000617927123 449924661 /nfs/dbraw/zinc/92/46/61/449924661.db2.gz QIVUNIMZJBFWKZ-INIZCTEOSA-N 2 1 345.491 1.390 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C)CC2 ZINC000615266008 450029470 /nfs/dbraw/zinc/02/94/70/450029470.db2.gz KOWWXNUDULZXNY-DJIMGWMZSA-N 2 1 332.448 1.076 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C)CC2 ZINC000615266008 450029478 /nfs/dbraw/zinc/02/94/78/450029478.db2.gz KOWWXNUDULZXNY-DJIMGWMZSA-N 2 1 332.448 1.076 20 0 EDADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613208686 450081063 /nfs/dbraw/zinc/08/10/63/450081063.db2.gz DUYAVTPSYYRRGQ-UTUOFQBUSA-N 2 1 331.243 1.884 20 0 EDADMP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000618355157 450173281 /nfs/dbraw/zinc/17/32/81/450173281.db2.gz QHAUCTFHMGRVRB-IBGZPJMESA-N 2 1 344.503 1.009 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000618355157 450173287 /nfs/dbraw/zinc/17/32/87/450173287.db2.gz QHAUCTFHMGRVRB-IBGZPJMESA-N 2 1 344.503 1.009 20 0 EDADMP C[N@H+](CCC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)C1CCCCC1 ZINC000615542320 450133162 /nfs/dbraw/zinc/13/31/62/450133162.db2.gz DBPNWLOMRSPXHG-SFHVURJKSA-N 2 1 337.508 1.964 20 0 EDADMP C[N@@H+](CCC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)C1CCCCC1 ZINC000615542320 450133170 /nfs/dbraw/zinc/13/31/70/450133170.db2.gz DBPNWLOMRSPXHG-SFHVURJKSA-N 2 1 337.508 1.964 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC4(COC4)C3)CC2)CC1 ZINC000620288035 450465298 /nfs/dbraw/zinc/46/52/98/450465298.db2.gz AEWOUOBSTXONHM-UHFFFAOYSA-N 2 1 335.492 1.432 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NCC[NH+](C)C2CC2)cc1 ZINC000623718742 450571549 /nfs/dbraw/zinc/57/15/49/450571549.db2.gz YMVBQTDPAMGCAK-QGZVFWFLSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NCC[NH+](C)C2CC2)cc1 ZINC000623718742 450571552 /nfs/dbraw/zinc/57/15/52/450571552.db2.gz YMVBQTDPAMGCAK-QGZVFWFLSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000623718742 450571553 /nfs/dbraw/zinc/57/15/53/450571553.db2.gz YMVBQTDPAMGCAK-QGZVFWFLSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000623718742 450571554 /nfs/dbraw/zinc/57/15/54/450571554.db2.gz YMVBQTDPAMGCAK-QGZVFWFLSA-N 2 1 346.475 1.663 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000620772042 450540891 /nfs/dbraw/zinc/54/08/91/450540891.db2.gz KVMLVVVHQIXZFK-SJLPKXTDSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000620772040 450541085 /nfs/dbraw/zinc/54/10/85/450541085.db2.gz KVMLVVVHQIXZFK-AEFFLSMTSA-N 2 1 331.460 1.345 20 0 EDADMP CC[N@@H+](CCN1C(=O)CN(C)C1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063863 450566381 /nfs/dbraw/zinc/56/63/81/450566381.db2.gz SZZJQPUYJFJYAQ-UHFFFAOYSA-N 2 1 332.448 1.464 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC[N@H+]1C ZINC000631610294 450676953 /nfs/dbraw/zinc/67/69/53/450676953.db2.gz WBELNWBMINGIMF-DLBZAZTESA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H]1C[C@@H](N(C)c2nc(N)[nH+]c(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000623984329 450660227 /nfs/dbraw/zinc/66/02/27/450660227.db2.gz DTKUNSPSVNWQSM-OCCSQVGLSA-N 2 1 327.436 1.186 20 0 EDADMP C[C@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)C[NH2+]1 ZINC000627357421 450672338 /nfs/dbraw/zinc/67/23/38/450672338.db2.gz GEDDTLUDOWNDRL-LSDHHAIUSA-N 2 1 338.496 1.014 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cn1 ZINC000631624149 450682493 /nfs/dbraw/zinc/68/24/93/450682493.db2.gz CMGNNWPIXCDWJP-UHFFFAOYSA-N 2 1 347.438 1.446 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000631657759 450700320 /nfs/dbraw/zinc/70/03/20/450700320.db2.gz YYSBAVFZWMCFMF-AWEZNQCLSA-N 2 1 329.466 1.288 20 0 EDADMP O=S(=O)(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccn1 ZINC000629532189 450726435 /nfs/dbraw/zinc/72/64/35/450726435.db2.gz PTNPAPOVTNIPQY-HZPDHXFCSA-N 2 1 337.489 1.567 20 0 EDADMP O=S(=O)(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccn1 ZINC000629532189 450726436 /nfs/dbraw/zinc/72/64/36/450726436.db2.gz PTNPAPOVTNIPQY-HZPDHXFCSA-N 2 1 337.489 1.567 20 0 EDADMP Cc1cc(NC(=O)C[N@H+](C)CCOCC[NH3+])n(-c2ccc(C)cc2)n1 ZINC000629575353 450744551 /nfs/dbraw/zinc/74/45/51/450744551.db2.gz MYKVHNWMDZTPMM-UHFFFAOYSA-N 2 1 345.447 1.335 20 0 EDADMP Cc1cc(NC(=O)C[N@@H+](C)CCOCC[NH3+])n(-c2ccc(C)cc2)n1 ZINC000629575353 450744554 /nfs/dbraw/zinc/74/45/54/450744554.db2.gz MYKVHNWMDZTPMM-UHFFFAOYSA-N 2 1 345.447 1.335 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624306422 450789972 /nfs/dbraw/zinc/78/99/72/450789972.db2.gz DGPSZKGUFZAQOI-MWDXBVQZSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624306422 450789979 /nfs/dbraw/zinc/78/99/79/450789979.db2.gz DGPSZKGUFZAQOI-MWDXBVQZSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624306422 450789984 /nfs/dbraw/zinc/78/99/84/450789984.db2.gz DGPSZKGUFZAQOI-MWDXBVQZSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624306422 450789989 /nfs/dbraw/zinc/78/99/89/450789989.db2.gz DGPSZKGUFZAQOI-MWDXBVQZSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1C[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000631842497 450811783 /nfs/dbraw/zinc/81/17/83/450811783.db2.gz BFNHUWXDKFDSON-VQIMIIECSA-N 2 1 329.488 1.994 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000631842497 450811785 /nfs/dbraw/zinc/81/17/85/450811785.db2.gz BFNHUWXDKFDSON-VQIMIIECSA-N 2 1 329.488 1.994 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1conc1C ZINC000631869667 450837186 /nfs/dbraw/zinc/83/71/86/450837186.db2.gz QEZSULFLBQIDCY-CQSZACIVSA-N 2 1 344.481 1.020 20 0 EDADMP O[C@H]1CC[N@@H+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000624336852 450798156 /nfs/dbraw/zinc/79/81/56/450798156.db2.gz BQNYZCYWTIXTOF-HAGHYFMRSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@H]1CC[NH+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624336852 450798164 /nfs/dbraw/zinc/79/81/64/450798164.db2.gz BQNYZCYWTIXTOF-HAGHYFMRSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@H]1CC[NH+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624336852 450798172 /nfs/dbraw/zinc/79/81/72/450798172.db2.gz BQNYZCYWTIXTOF-HAGHYFMRSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@H]1CCN(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624336852 450798177 /nfs/dbraw/zinc/79/81/77/450798177.db2.gz BQNYZCYWTIXTOF-HAGHYFMRSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@H]1CCN(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624336852 450798182 /nfs/dbraw/zinc/79/81/82/450798182.db2.gz BQNYZCYWTIXTOF-HAGHYFMRSA-N 2 1 329.488 1.838 20 0 EDADMP CCN(CC(F)(F)F)C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000631821771 450798650 /nfs/dbraw/zinc/79/86/50/450798650.db2.gz IPIXQZYWZZRHNT-UHFFFAOYSA-N 2 1 325.375 1.227 20 0 EDADMP C[N@@H+]1C[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)[C@@H](c2ccccc2)C1 ZINC000626680562 450850123 /nfs/dbraw/zinc/85/01/23/450850123.db2.gz PKBYCRNFFKXYSE-FCGDIQPGSA-N 2 1 345.462 1.977 20 0 EDADMP C[N@H+]1C[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)[C@@H](c2ccccc2)C1 ZINC000626680562 450850129 /nfs/dbraw/zinc/85/01/29/450850129.db2.gz PKBYCRNFFKXYSE-FCGDIQPGSA-N 2 1 345.462 1.977 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635333239 450859019 /nfs/dbraw/zinc/85/90/19/450859019.db2.gz QGOOVPSJGSDTIK-CALCHBBNSA-N 2 1 339.524 1.829 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC[N@H+]1C ZINC000631910379 450869725 /nfs/dbraw/zinc/86/97/25/450869725.db2.gz DCGIQQWOTMVVTK-MHORFTMASA-N 2 1 337.508 1.601 20 0 EDADMP C[C@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)c2ccccc2C[NH2+]1 ZINC000631942905 450900211 /nfs/dbraw/zinc/90/02/11/450900211.db2.gz ISAJRHPCURUSDA-HNNXBMFYSA-N 2 1 337.489 1.800 20 0 EDADMP O=S(=O)(CCC[NH+]1CCCC1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000631943783 450901157 /nfs/dbraw/zinc/90/11/57/450901157.db2.gz FOORNLAUNUVKAP-KRWDZBQOSA-N 2 1 337.489 1.449 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000630022846 450960007 /nfs/dbraw/zinc/96/00/07/450960007.db2.gz OHTYBQVRYXXFOO-NVXWUHKLSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@H](CCNS(=O)(=O)CCC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000632059874 451008914 /nfs/dbraw/zinc/00/89/14/451008914.db2.gz WONQGRDIRBXKTM-MRXNPFEDSA-N 2 1 341.521 1.768 20 0 EDADMP CCN(CC[NH3+])C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000626936264 451018666 /nfs/dbraw/zinc/01/86/66/451018666.db2.gz GDIATFVXAKHBNC-MRXNPFEDSA-N 2 1 333.480 1.187 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000626947780 451026864 /nfs/dbraw/zinc/02/68/64/451026864.db2.gz YFHYLWRMDYOUIA-ZNMIVQPWSA-N 2 1 326.485 1.031 20 0 EDADMP CCN(CC[NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000626949495 451028564 /nfs/dbraw/zinc/02/85/64/451028564.db2.gz NUXGEBJYQDJTBO-OAHLLOKOSA-N 2 1 334.464 1.398 20 0 EDADMP CCN(CC[NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000626949495 451028569 /nfs/dbraw/zinc/02/85/69/451028569.db2.gz NUXGEBJYQDJTBO-OAHLLOKOSA-N 2 1 334.464 1.398 20 0 EDADMP Cc1cc(CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc(N2CCCC2)[nH+]1 ZINC000627040145 451096536 /nfs/dbraw/zinc/09/65/36/451096536.db2.gz BVEFBANDFBRXJV-BBRMVZONSA-N 2 1 331.464 1.930 20 0 EDADMP [NH3+]C[C@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccc2ccccc2c1 ZINC000627082809 451115843 /nfs/dbraw/zinc/11/58/43/451115843.db2.gz MDADXBIYXLGMGT-MSOLQXFVSA-N 2 1 342.443 1.205 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000635639356 451128190 /nfs/dbraw/zinc/12/81/90/451128190.db2.gz GEQMPLXUQGHIAI-MSOLQXFVSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000627115430 451131870 /nfs/dbraw/zinc/13/18/70/451131870.db2.gz ASFXGKOEHHVMLO-FRRDWIJNSA-N 2 1 336.402 1.639 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632255196 451145862 /nfs/dbraw/zinc/14/58/62/451145862.db2.gz MIIJSRCOYLNASK-HZPDHXFCSA-N 2 1 331.526 1.512 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC[N@H+]1CCOC ZINC000627164263 451158960 /nfs/dbraw/zinc/15/89/60/451158960.db2.gz KHTYVVWHYBVCID-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000635685755 451167226 /nfs/dbraw/zinc/16/72/26/451167226.db2.gz PQWLWCWLXWXNAW-IBGZPJMESA-N 2 1 345.487 1.530 20 0 EDADMP C[C@H]1CC[C@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C[NH2+]1 ZINC000627193237 451179234 /nfs/dbraw/zinc/17/92/34/451179234.db2.gz FMGQQIZBEHOVFT-WMZOPIPTSA-N 2 1 330.476 1.697 20 0 EDADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635705022 451185063 /nfs/dbraw/zinc/18/50/63/451185063.db2.gz RHHWUBVQMNPWFT-GUDVDZBRSA-N 2 1 349.519 1.887 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000638083100 451245793 /nfs/dbraw/zinc/24/57/93/451245793.db2.gz JCWBNKGUBCZWSW-XPYUAMARSA-N 2 1 331.460 1.705 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C3=CC[C@H]([NH3+])C3)c2)CCO1 ZINC000638082017 451246154 /nfs/dbraw/zinc/24/61/54/451246154.db2.gz SDZFEJZZJVFIFF-KDOFPFPSSA-N 2 1 329.444 1.571 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C3=CC[C@H]([NH3+])C3)c2)CCO1 ZINC000638082017 451246157 /nfs/dbraw/zinc/24/61/57/451246157.db2.gz SDZFEJZZJVFIFF-KDOFPFPSSA-N 2 1 329.444 1.571 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+]1CCCC1 ZINC000636524754 451267456 /nfs/dbraw/zinc/26/74/56/451267456.db2.gz UPRQRSRWOMWVCC-IAGOWNOFSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638101075 451267767 /nfs/dbraw/zinc/26/77/67/451267767.db2.gz SNXJIEBOUWNSRR-ZHALLVOQSA-N 2 1 346.519 1.825 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NCCCNc2ccc(C)c[nH+]2)c1 ZINC000638117110 451284477 /nfs/dbraw/zinc/28/44/77/451284477.db2.gz RRZPWBNTJMOBAW-KRWDZBQOSA-N 2 1 342.443 1.887 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000638125576 451296126 /nfs/dbraw/zinc/29/61/26/451296126.db2.gz FNXJJBWJTXEUPQ-LNLFQRSKSA-N 2 1 331.460 1.486 20 0 EDADMP CC[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000638136861 451310078 /nfs/dbraw/zinc/31/00/78/451310078.db2.gz NYIRGCIAMVERHS-MRXNPFEDSA-N 2 1 332.492 1.438 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000638214954 451358117 /nfs/dbraw/zinc/35/81/17/451358117.db2.gz HSNVFKXVUYUSCB-QZTJIDSGSA-N 2 1 340.427 1.133 20 0 EDADMP CC1(C)CN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000638270010 451389406 /nfs/dbraw/zinc/38/94/06/451389406.db2.gz DDYGIUNRFRMUQO-UHFFFAOYSA-N 3 1 344.503 1.580 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)cc1 ZINC000640521131 451371819 /nfs/dbraw/zinc/37/18/19/451371819.db2.gz UEGUASKAASPDHO-ZWKOTPCHSA-N 2 1 345.487 1.977 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636648164 451382660 /nfs/dbraw/zinc/38/26/60/451382660.db2.gz QTTJHAODOMAIIA-UHFFFAOYSA-N 2 1 340.512 1.167 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638261861 451385456 /nfs/dbraw/zinc/38/54/56/451385456.db2.gz IDQBRHABFZXMQQ-QRVBRYPASA-N 2 1 344.503 1.294 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638261861 451385460 /nfs/dbraw/zinc/38/54/60/451385460.db2.gz IDQBRHABFZXMQQ-QRVBRYPASA-N 2 1 344.503 1.294 20 0 EDADMP C[N@H+]1CCCC[C@@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000628751492 451398990 /nfs/dbraw/zinc/39/89/90/451398990.db2.gz RPOYTVPWMOAOQN-KRWDZBQOSA-N 2 1 337.508 1.870 20 0 EDADMP O=S(=O)(CCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000632559705 451400401 /nfs/dbraw/zinc/40/04/01/451400401.db2.gz LKWMJQDFCKWQLV-MRXNPFEDSA-N 2 1 343.537 1.799 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000638307349 451421250 /nfs/dbraw/zinc/42/12/50/451421250.db2.gz DBHZDIBQMKOJGE-GDAAHCPNSA-N 2 1 345.487 1.862 20 0 EDADMP O[C@@]1(C[NH2+]CCCO[C@H]2CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634708633 451486707 /nfs/dbraw/zinc/48/67/07/451486707.db2.gz XNHHBAKLHGOZMR-RBUKOAKNSA-N 2 1 334.460 1.409 20 0 EDADMP O[C@@]1(C[NH2+]CCCO[C@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708633 451486711 /nfs/dbraw/zinc/48/67/11/451486711.db2.gz XNHHBAKLHGOZMR-RBUKOAKNSA-N 2 1 334.460 1.409 20 0 EDADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Cn2cc[nH+]c2C)cc1F ZINC000638413784 451499210 /nfs/dbraw/zinc/49/92/10/451499210.db2.gz FTAPYRJFORDSQP-HOCLYGCPSA-N 2 1 346.406 1.601 20 0 EDADMP O=C(NCCCCC[NH+]1CCCCC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636817847 451532829 /nfs/dbraw/zinc/53/28/29/451532829.db2.gz JMBPIHYFWQYEJG-MRXNPFEDSA-N 2 1 326.485 1.008 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634781922 451545218 /nfs/dbraw/zinc/54/52/18/451545218.db2.gz UIBYWDCTMCQAEN-KDURUIRLSA-N 2 1 343.471 1.217 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634781922 451545222 /nfs/dbraw/zinc/54/52/22/451545222.db2.gz UIBYWDCTMCQAEN-KDURUIRLSA-N 2 1 343.471 1.217 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@H]2CC)[C@@H](C)C1 ZINC000631325726 451696731 /nfs/dbraw/zinc/69/67/31/451696731.db2.gz BBFKWSPDFMTKCE-MLHJIOFPSA-N 2 1 339.524 1.970 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@H]2CC)[C@@H](C)C1 ZINC000631325726 451696734 /nfs/dbraw/zinc/69/67/34/451696734.db2.gz BBFKWSPDFMTKCE-MLHJIOFPSA-N 2 1 339.524 1.970 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@H]2CC)[C@@H](C)C1 ZINC000631325726 451696735 /nfs/dbraw/zinc/69/67/35/451696735.db2.gz BBFKWSPDFMTKCE-MLHJIOFPSA-N 2 1 339.524 1.970 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C2)cc1 ZINC000632956021 451668204 /nfs/dbraw/zinc/66/82/04/451668204.db2.gz SQSQRBCUNIJREJ-KBPBESRZSA-N 2 1 344.381 1.758 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC000639001681 451750612 /nfs/dbraw/zinc/75/06/12/451750612.db2.gz MANVCHOKMAZRLI-ZIFCJYIRSA-N 2 1 331.460 1.453 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cnc(C[NH3+])nc3)C2)cc1 ZINC000639002147 451750894 /nfs/dbraw/zinc/75/08/94/451750894.db2.gz XZQZMCAUPAFEIY-MRXNPFEDSA-N 2 1 325.416 1.248 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)COC3CCC([NH3+])CC3)C2)cc1 ZINC000639004677 451751360 /nfs/dbraw/zinc/75/13/60/451751360.db2.gz IVRDTDJRVGIXOR-XBMUEBEBSA-N 2 1 345.487 1.972 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000639006338 451751583 /nfs/dbraw/zinc/75/15/83/451751583.db2.gz VXJLROZJPRUNRE-JKSUJKDBSA-N 2 1 337.414 1.930 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641169883 451768257 /nfs/dbraw/zinc/76/82/57/451768257.db2.gz SBEUCIPNLCCZNZ-SFHVURJKSA-N 2 1 334.512 1.507 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641169883 451768259 /nfs/dbraw/zinc/76/82/59/451768259.db2.gz SBEUCIPNLCCZNZ-SFHVURJKSA-N 3 1 334.512 1.507 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641169883 451768262 /nfs/dbraw/zinc/76/82/62/451768262.db2.gz SBEUCIPNLCCZNZ-SFHVURJKSA-N 3 1 334.512 1.507 20 0 EDADMP CNC(=O)C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000639130418 451773735 /nfs/dbraw/zinc/77/37/35/451773735.db2.gz ZTUIJLMDWZTIFC-KRWDZBQOSA-N 2 1 333.476 1.689 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCCn2nccc21 ZINC000637266035 451774334 /nfs/dbraw/zinc/77/43/34/451774334.db2.gz VCFGCEJJOGINND-LSDHHAIUSA-N 2 1 336.484 1.289 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCCn2nccc21 ZINC000637266035 451774337 /nfs/dbraw/zinc/77/43/37/451774337.db2.gz VCFGCEJJOGINND-LSDHHAIUSA-N 2 1 336.484 1.289 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000637266448 451774984 /nfs/dbraw/zinc/77/49/84/451774984.db2.gz YGAMZQCWWUHJRC-GVRJEKJASA-N 2 1 328.501 1.370 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000637266448 451774987 /nfs/dbraw/zinc/77/49/87/451774987.db2.gz YGAMZQCWWUHJRC-GVRJEKJASA-N 2 1 328.501 1.370 20 0 EDADMP COc1cncc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000639172019 451784661 /nfs/dbraw/zinc/78/46/61/451784661.db2.gz GFBPFQFTMRPCRO-GOSISDBHSA-N 2 1 332.492 1.999 20 0 EDADMP COc1cncc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000639172019 451784663 /nfs/dbraw/zinc/78/46/63/451784663.db2.gz GFBPFQFTMRPCRO-GOSISDBHSA-N 2 1 332.492 1.999 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641220726 451787275 /nfs/dbraw/zinc/78/72/75/451787275.db2.gz DXFLDXIPXOYMLC-ZBFHGGJFSA-N 2 1 337.855 1.681 20 0 EDADMP CN(CCN1CCOCC1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000637371054 451803229 /nfs/dbraw/zinc/80/32/29/451803229.db2.gz WTYFJIPGAPKUSN-KRWDZBQOSA-N 2 1 338.496 1.367 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000641997305 451803502 /nfs/dbraw/zinc/80/35/02/451803502.db2.gz FERLLYMBTFMTBB-INIZCTEOSA-N 2 1 341.544 1.432 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000641997305 451803505 /nfs/dbraw/zinc/80/35/05/451803505.db2.gz FERLLYMBTFMTBB-INIZCTEOSA-N 2 1 341.544 1.432 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000641997305 451803508 /nfs/dbraw/zinc/80/35/08/451803508.db2.gz FERLLYMBTFMTBB-INIZCTEOSA-N 2 1 341.544 1.432 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1ccccc1 ZINC000649075983 451816823 /nfs/dbraw/zinc/81/68/23/451816823.db2.gz NQEUKWRUHHIUHF-RDJZCZTQSA-N 2 1 346.475 1.258 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1ccccc1 ZINC000649075983 451816828 /nfs/dbraw/zinc/81/68/28/451816828.db2.gz NQEUKWRUHHIUHF-RDJZCZTQSA-N 2 1 346.475 1.258 20 0 EDADMP CCCN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](C)C1 ZINC000646767291 451829647 /nfs/dbraw/zinc/82/96/47/451829647.db2.gz UJHJBSKJPUKSJC-KRWDZBQOSA-N 2 1 346.475 1.629 20 0 EDADMP COCC[N@H+](C)CC[C@H]([NH2+]CC1(O)CCOCC1)c1ccccc1 ZINC000644546225 451853392 /nfs/dbraw/zinc/85/33/92/451853392.db2.gz BBBVLQBIFRLEMS-SFHVURJKSA-N 2 1 336.476 1.827 20 0 EDADMP COCC[N@@H+](C)CC[C@H]([NH2+]CC1(O)CCOCC1)c1ccccc1 ZINC000644546225 451853394 /nfs/dbraw/zinc/85/33/94/451853394.db2.gz BBBVLQBIFRLEMS-SFHVURJKSA-N 2 1 336.476 1.827 20 0 EDADMP O=S(=O)(CCn1ccnc1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000641333128 451856089 /nfs/dbraw/zinc/85/60/89/451856089.db2.gz ZWMGPNOUIVXYGQ-KRWDZBQOSA-N 2 1 348.472 1.467 20 0 EDADMP O=S(=O)(CCn1ccnc1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000641333128 451856097 /nfs/dbraw/zinc/85/60/97/451856097.db2.gz ZWMGPNOUIVXYGQ-KRWDZBQOSA-N 2 1 348.472 1.467 20 0 EDADMP C[C@@H](C(=O)N1CC[NH2+]CC1(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000649273471 451944723 /nfs/dbraw/zinc/94/47/23/451944723.db2.gz LUUUQWBLSDXEJM-HNNXBMFYSA-N 2 1 348.466 1.547 20 0 EDADMP CN(CCc1cnccn1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639558938 451945515 /nfs/dbraw/zinc/94/55/15/451945515.db2.gz LFZIOEJZFUVTGR-IBGZPJMESA-N 2 1 326.444 1.588 20 0 EDADMP C[N@H+](CCc1cnccn1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000639558938 451945520 /nfs/dbraw/zinc/94/55/20/451945520.db2.gz LFZIOEJZFUVTGR-IBGZPJMESA-N 2 1 326.444 1.588 20 0 EDADMP C[N@@H+](CCc1cnccn1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000639558938 451945523 /nfs/dbraw/zinc/94/55/23/451945523.db2.gz LFZIOEJZFUVTGR-IBGZPJMESA-N 2 1 326.444 1.588 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2)CC1 ZINC000649288895 451965087 /nfs/dbraw/zinc/96/50/87/451965087.db2.gz UJIHWXKEABYLCX-UHFFFAOYSA-N 2 1 346.475 1.208 20 0 EDADMP COCCC1(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000649292998 451969790 /nfs/dbraw/zinc/96/97/90/451969790.db2.gz SSRNPXVOYOWMQY-HZPDHXFCSA-N 2 1 325.497 1.772 20 0 EDADMP COCCC1(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000649306852 451983568 /nfs/dbraw/zinc/98/35/68/451983568.db2.gz TVUCZLRZHGBDNT-JKSUJKDBSA-N 2 1 325.497 1.629 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)CC1 ZINC000649308743 451986403 /nfs/dbraw/zinc/98/64/03/451986403.db2.gz YPUPCXSKASBZRZ-OIISXLGYSA-N 2 1 342.443 1.153 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC[NH2+][C@@H]3C)cc2)CC1 ZINC000649308585 451986954 /nfs/dbraw/zinc/98/69/54/451986954.db2.gz OZKWYOPKUBUWEY-RHSMWYFYSA-N 2 1 344.459 1.401 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@@H]2C[NH2+]CCOC2)cc1)[NH+]1CCOCC1 ZINC000649322635 452002148 /nfs/dbraw/zinc/00/21/48/452002148.db2.gz BOBWYXGOYAGWEU-GDBMZVCRSA-N 2 1 333.432 1.254 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000642975107 452003929 /nfs/dbraw/zinc/00/39/29/452003929.db2.gz IGBREBJUTJUZDD-UHFFFAOYSA-N 2 1 340.512 1.199 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637667314 452010475 /nfs/dbraw/zinc/01/04/75/452010475.db2.gz CIFOAMADNMBQLC-HNNXBMFYSA-N 2 1 348.495 1.955 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)COC2(C)C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000649330075 452011288 /nfs/dbraw/zinc/01/12/88/452011288.db2.gz UXWGQPLXQAMQMG-SJLPKXTDSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649336684 452017618 /nfs/dbraw/zinc/01/76/18/452017618.db2.gz MPMZBYXFTGJDOJ-BPQIPLTHSA-N 2 1 331.460 1.249 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)COC2(C)C[NH2+]C2)[C@@H]1c1cccs1 ZINC000649341122 452021547 /nfs/dbraw/zinc/02/15/47/452021547.db2.gz OIDCGSPYVSXDKC-XJKSGUPXSA-N 2 1 337.489 1.626 20 0 EDADMP COC[C@]1(CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CCC[NH2+]1 ZINC000647042087 452022143 /nfs/dbraw/zinc/02/21/43/452022143.db2.gz MWSFIHDCGQMEQW-LJQANCHMSA-N 2 1 346.475 1.491 20 0 EDADMP COC[C@]1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649342873 452022692 /nfs/dbraw/zinc/02/26/92/452022692.db2.gz VBMBLQULWDJXMU-MJGOQNOKSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N(C)C3(C[NH3+])CCC3)cc2F)CC1 ZINC000649365828 452044133 /nfs/dbraw/zinc/04/41/33/452044133.db2.gz HQQMIFIUUXLMDU-UHFFFAOYSA-N 2 1 348.466 1.921 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000649370254 452047365 /nfs/dbraw/zinc/04/73/65/452047365.db2.gz IVHFLUYOMLSLKJ-YVSFHVDLSA-N 2 1 337.508 1.911 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000649370254 452047369 /nfs/dbraw/zinc/04/73/69/452047369.db2.gz IVHFLUYOMLSLKJ-YVSFHVDLSA-N 2 1 337.508 1.911 20 0 EDADMP [NH3+]C1(CC(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CCC1 ZINC000647090780 452055108 /nfs/dbraw/zinc/05/51/08/452055108.db2.gz YGVAJOPOWAEXLO-UHFFFAOYSA-N 2 1 330.476 1.368 20 0 EDADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000649382201 452055324 /nfs/dbraw/zinc/05/53/24/452055324.db2.gz VREDZNRJOSKOBK-PMACEKPBSA-N 2 1 331.504 1.956 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[NH+](Cc2cccs2)CC1 ZINC000649411105 452074471 /nfs/dbraw/zinc/07/44/71/452074471.db2.gz RFPQEZBZAJKCIL-OALUTQOASA-N 2 1 345.512 1.797 20 0 EDADMP CC[N@@H+](CCN1CC[NH2+]CC1)CC1CCN(c2ccccn2)CC1 ZINC000649413743 452076684 /nfs/dbraw/zinc/07/66/84/452076684.db2.gz AIXXONJBSNGZLQ-UHFFFAOYSA-N 2 1 331.508 1.525 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759640 452098034 /nfs/dbraw/zinc/09/80/34/452098034.db2.gz FHXNCTQKMFRDKK-HNNXBMFYSA-N 2 1 333.480 1.782 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637847792 452113385 /nfs/dbraw/zinc/11/33/85/452113385.db2.gz DFTRAUMHQDPBIC-NLWGTHIKSA-N 2 1 345.487 1.625 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000637864377 452119833 /nfs/dbraw/zinc/11/98/33/452119833.db2.gz RLNISOCSMFBJHC-UHFFFAOYSA-N 2 1 333.476 1.517 20 0 EDADMP Cc1nc(N2CC[C@@H](C[NH+](C)C)C2)cc(N2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000645040481 452130187 /nfs/dbraw/zinc/13/01/87/452130187.db2.gz WWMKWQJQMFNJAU-IRXDYDNUSA-N 2 1 346.523 1.561 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCN3Cc3ccccn3)C2)C1 ZINC000647252288 452145274 /nfs/dbraw/zinc/14/52/74/452145274.db2.gz BAEXWAFVJBESEO-ICSRJNTNSA-N 2 1 342.487 1.990 20 0 EDADMP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)C2)C1 ZINC000647252288 452145280 /nfs/dbraw/zinc/14/52/80/452145280.db2.gz BAEXWAFVJBESEO-ICSRJNTNSA-N 2 1 342.487 1.990 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)C2)C1 ZINC000647252288 452145288 /nfs/dbraw/zinc/14/52/88/452145288.db2.gz BAEXWAFVJBESEO-ICSRJNTNSA-N 2 1 342.487 1.990 20 0 EDADMP C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2)C1 ZINC000647252288 452145293 /nfs/dbraw/zinc/14/52/93/452145293.db2.gz BAEXWAFVJBESEO-ICSRJNTNSA-N 2 1 342.487 1.990 20 0 EDADMP CC[NH+](CC)CC1CC[NH+](Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000637905671 452155488 /nfs/dbraw/zinc/15/54/88/452155488.db2.gz NKSGSGSTLPHXML-UHFFFAOYSA-N 2 1 345.534 1.949 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](c3nnc(N)o3)C2)CC1 ZINC000639822420 452156852 /nfs/dbraw/zinc/15/68/52/452156852.db2.gz OTCIROJIEXLBKH-HNNXBMFYSA-N 2 1 336.484 1.247 20 0 EDADMP CCCN(C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000645144171 452175968 /nfs/dbraw/zinc/17/59/68/452175968.db2.gz CMOBCBHYIIEYGS-DLBZAZTESA-N 2 1 340.512 1.469 20 0 EDADMP CCCN(C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000645144171 452175972 /nfs/dbraw/zinc/17/59/72/452175972.db2.gz CMOBCBHYIIEYGS-DLBZAZTESA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802860 452276556 /nfs/dbraw/zinc/27/65/56/452276556.db2.gz BMKGFODSFJXPGP-KMUNFCNLSA-N 2 1 325.403 1.727 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803803 452280358 /nfs/dbraw/zinc/28/03/58/452280358.db2.gz HSGQRXKVGKCAOU-SJORKVTESA-N 2 1 333.476 1.943 20 0 EDADMP CO[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C1CCOCC1 ZINC000638033566 452287796 /nfs/dbraw/zinc/28/77/96/452287796.db2.gz FWUJWMAOUSQCEV-RBUKOAKNSA-N 2 1 339.524 1.530 20 0 EDADMP COc1cccc(CN(C)C(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1OC ZINC000641808277 452288999 /nfs/dbraw/zinc/28/89/99/452288999.db2.gz XUUCYSMYLHDMBT-GJZGRUSLSA-N 2 1 335.448 1.378 20 0 EDADMP [NH3+]C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655514443 452322144 /nfs/dbraw/zinc/32/21/44/452322144.db2.gz QSJLETFLWUIBAV-KBPBESRZSA-N 2 1 329.366 1.904 20 0 EDADMP C[C@H](CC(F)(F)F)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665761011 452336198 /nfs/dbraw/zinc/33/61/98/452336198.db2.gz UZRSHFHORRPOHD-NEPJUHHUSA-N 2 1 326.407 1.899 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652133421 452330883 /nfs/dbraw/zinc/33/08/83/452330883.db2.gz PRVOBHPRVPJAHI-YESZJQIVSA-N 2 1 349.479 1.510 20 0 EDADMP CO[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665761083 452334949 /nfs/dbraw/zinc/33/49/49/452334949.db2.gz WKGOWZACHISEPC-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CO[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665761083 452334957 /nfs/dbraw/zinc/33/49/57/452334957.db2.gz WKGOWZACHISEPC-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@H](CC(F)(F)F)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665761011 452336194 /nfs/dbraw/zinc/33/61/94/452336194.db2.gz UZRSHFHORRPOHD-NEPJUHHUSA-N 2 1 326.407 1.899 20 0 EDADMP CO[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@](C)(CO)C1 ZINC000640004456 452336776 /nfs/dbraw/zinc/33/67/76/452336776.db2.gz MKVGRMZIKCNWTR-RTBURBONSA-N 2 1 334.460 1.491 20 0 EDADMP CO[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@](C)(CO)C1 ZINC000640004456 452336783 /nfs/dbraw/zinc/33/67/83/452336783.db2.gz MKVGRMZIKCNWTR-RTBURBONSA-N 2 1 334.460 1.491 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000665763758 452347448 /nfs/dbraw/zinc/34/74/48/452347448.db2.gz LCCRFMRQQRSHTE-ZFWWWQNUSA-N 2 1 332.439 1.699 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000665763758 452347456 /nfs/dbraw/zinc/34/74/56/452347456.db2.gz LCCRFMRQQRSHTE-ZFWWWQNUSA-N 2 1 332.439 1.699 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000665764126 452347515 /nfs/dbraw/zinc/34/75/15/452347515.db2.gz VOPHKUSZDNKACC-JYJNAYRXSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000665764126 452347521 /nfs/dbraw/zinc/34/75/21/452347521.db2.gz VOPHKUSZDNKACC-JYJNAYRXSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000638073989 452384247 /nfs/dbraw/zinc/38/42/47/452384247.db2.gz YSXHYYXMBXCWRF-YXJHDRRASA-N 2 1 331.460 1.520 20 0 EDADMP COc1cccc([C@H]([NH3+])C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638074958 452387856 /nfs/dbraw/zinc/38/78/56/452387856.db2.gz BVZWSEHVURPQOD-DAYGRLMNSA-N 2 1 349.475 1.701 20 0 EDADMP CCC[NH2+]CCNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000659525485 452388013 /nfs/dbraw/zinc/38/80/13/452388013.db2.gz SOHBGVQJUDTDLW-KRWDZBQOSA-N 2 1 334.464 1.052 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652209091 452404714 /nfs/dbraw/zinc/40/47/14/452404714.db2.gz ZUPKYRMLGSTABN-ZWKOTPCHSA-N 2 1 332.492 1.928 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652209091 452404717 /nfs/dbraw/zinc/40/47/17/452404717.db2.gz ZUPKYRMLGSTABN-ZWKOTPCHSA-N 2 1 332.492 1.928 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000652225113 452417366 /nfs/dbraw/zinc/41/73/66/452417366.db2.gz QHGGMCRGPNZCST-MRXNPFEDSA-N 2 1 340.512 1.361 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616138 452474112 /nfs/dbraw/zinc/47/41/12/452474112.db2.gz RXRYPABOINFLHJ-UHFFFAOYSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345611 452518526 /nfs/dbraw/zinc/51/85/26/452518526.db2.gz GPEYHKUSCAEVLR-WKULXVSPSA-N 2 1 337.508 1.900 20 0 EDADMP CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345476 452518616 /nfs/dbraw/zinc/51/86/16/452518616.db2.gz CKMALHVSCJAZFT-OTWHNJEPSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652345522 452518712 /nfs/dbraw/zinc/51/87/12/452518712.db2.gz DFWJENRLFSVJKR-FLXSYLCISA-N 2 1 337.508 1.709 20 0 EDADMP CCCCOCCNC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347662 452522529 /nfs/dbraw/zinc/52/25/29/452522529.db2.gz IDTBGKZBIQWLHV-YESZJQIVSA-N 2 1 341.496 1.138 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351936 452530297 /nfs/dbraw/zinc/53/02/97/452530297.db2.gz KGBDLQSSEXPQHS-NTDBWNAOSA-N 2 1 337.508 1.759 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351936 452530301 /nfs/dbraw/zinc/53/03/01/452530301.db2.gz KGBDLQSSEXPQHS-NTDBWNAOSA-N 2 1 337.508 1.759 20 0 EDADMP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652355285 452531060 /nfs/dbraw/zinc/53/10/60/452531060.db2.gz SXZHXGUNXOZNAR-QAPCUYQASA-N 2 1 333.476 1.899 20 0 EDADMP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652355285 452531069 /nfs/dbraw/zinc/53/10/69/452531069.db2.gz SXZHXGUNXOZNAR-QAPCUYQASA-N 2 1 333.476 1.899 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655714584 452532186 /nfs/dbraw/zinc/53/21/86/452532186.db2.gz AFVPFFATPUCAFJ-NXHRZFHOSA-N 2 1 337.508 1.866 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652354180 452532679 /nfs/dbraw/zinc/53/26/79/452532679.db2.gz OZANDGIACHSUNL-RDJZCZTQSA-N 2 1 333.476 1.803 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652354180 452532692 /nfs/dbraw/zinc/53/26/92/452532692.db2.gz OZANDGIACHSUNL-RDJZCZTQSA-N 2 1 333.476 1.803 20 0 EDADMP COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652360656 452542489 /nfs/dbraw/zinc/54/24/89/452542489.db2.gz NRAFUWHSZIZVFH-QGTPRVQTSA-N 2 1 347.459 1.995 20 0 EDADMP COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652360656 452542491 /nfs/dbraw/zinc/54/24/91/452542491.db2.gz NRAFUWHSZIZVFH-QGTPRVQTSA-N 2 1 347.459 1.995 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)NCc2cccnc2)C1 ZINC000652362928 452543468 /nfs/dbraw/zinc/54/34/68/452543468.db2.gz SSKJZAUGIIOXAJ-ZACQAIPSSA-N 2 1 332.448 1.059 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)c1 ZINC000659681245 452554743 /nfs/dbraw/zinc/55/47/43/452554743.db2.gz RTBXTDSETVGPBY-UHFFFAOYSA-N 2 1 346.475 1.142 20 0 EDADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000657889544 452594747 /nfs/dbraw/zinc/59/47/47/452594747.db2.gz SEERHYNTKINSIX-NJAFHUGGSA-N 2 1 329.448 1.139 20 0 EDADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000657889544 452594761 /nfs/dbraw/zinc/59/47/61/452594761.db2.gz SEERHYNTKINSIX-NJAFHUGGSA-N 2 1 329.448 1.139 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)ccc1C[NH+](C)C ZINC000663881475 452605690 /nfs/dbraw/zinc/60/56/90/452605690.db2.gz CRCQILFGCMIAGB-NVXWUHKLSA-N 2 1 344.459 1.158 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000654529395 452609714 /nfs/dbraw/zinc/60/97/14/452609714.db2.gz IKYBSTRYYNXKEK-BRWVUGGUSA-N 2 1 337.533 1.947 20 0 EDADMP [NH3+]C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655911444 452668491 /nfs/dbraw/zinc/66/84/91/452668491.db2.gz JJHDBRWRVMFZJF-KGLIPLIRSA-N 2 1 344.381 1.840 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000661947060 452703469 /nfs/dbraw/zinc/70/34/69/452703469.db2.gz FCMXMXZKFKXVMW-OAHLLOKOSA-N 2 1 347.463 1.406 20 0 EDADMP C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1nccn1C ZINC000666241472 452711841 /nfs/dbraw/zinc/71/18/41/452711841.db2.gz LWCRJZYSELZPDW-NSHDSACASA-N 2 1 344.419 1.463 20 0 EDADMP Cc1ccc(CNC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(N2CCCC2)[nH+]1 ZINC000652514715 452713256 /nfs/dbraw/zinc/71/32/56/452713256.db2.gz WBWUJLMLVZOHLJ-SJORKVTESA-N 2 1 343.475 1.836 20 0 EDADMP Cc1ccc(CNC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c(N2CCCC2)[nH+]1 ZINC000652514715 452713264 /nfs/dbraw/zinc/71/32/64/452713264.db2.gz WBWUJLMLVZOHLJ-SJORKVTESA-N 2 1 343.475 1.836 20 0 EDADMP Fc1ccc(-n2cnc3c2CC[N@H+](CCN2CC[NH2+]CC2)C3)cc1 ZINC000647991284 452732565 /nfs/dbraw/zinc/73/25/65/452732565.db2.gz VLTRMGZAKIVJAZ-UHFFFAOYSA-N 2 1 329.423 1.275 20 0 EDADMP Fc1ccc(-n2cnc3c2CC[N@@H+](CCN2CC[NH2+]CC2)C3)cc1 ZINC000647991284 452732572 /nfs/dbraw/zinc/73/25/72/452732572.db2.gz VLTRMGZAKIVJAZ-UHFFFAOYSA-N 2 1 329.423 1.275 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649604 452741395 /nfs/dbraw/zinc/74/13/95/452741395.db2.gz IYUIJTHJCQQPKQ-NCOADZHNSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649604 452741402 /nfs/dbraw/zinc/74/14/02/452741402.db2.gz IYUIJTHJCQQPKQ-NCOADZHNSA-N 2 1 338.496 1.364 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000659860673 452742413 /nfs/dbraw/zinc/74/24/13/452742413.db2.gz AYSQCQURTDGZSZ-GOSISDBHSA-N 2 1 327.513 1.122 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649251 452742382 /nfs/dbraw/zinc/74/23/82/452742382.db2.gz ACXOUMVJEQJRNC-MPTYRVRUSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649251 452742389 /nfs/dbraw/zinc/74/23/89/452742389.db2.gz ACXOUMVJEQJRNC-MPTYRVRUSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649251 452742400 /nfs/dbraw/zinc/74/24/00/452742400.db2.gz ACXOUMVJEQJRNC-MPTYRVRUSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649251 452742410 /nfs/dbraw/zinc/74/24/10/452742410.db2.gz ACXOUMVJEQJRNC-MPTYRVRUSA-N 2 1 338.496 1.362 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000655971292 452754179 /nfs/dbraw/zinc/75/41/79/452754179.db2.gz ZFOUQJNCCAINBX-LVQVYYBASA-N 2 1 326.485 1.268 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000655971292 452754189 /nfs/dbraw/zinc/75/41/89/452754189.db2.gz ZFOUQJNCCAINBX-LVQVYYBASA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652984 452755835 /nfs/dbraw/zinc/75/58/35/452755835.db2.gz UVMGLNFEVPGBBP-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652984 452755845 /nfs/dbraw/zinc/75/58/45/452755845.db2.gz UVMGLNFEVPGBBP-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP CCCN(C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000654655411 452764395 /nfs/dbraw/zinc/76/43/95/452764395.db2.gz GTVMODOALCFMQZ-MWDXBVQZSA-N 2 1 340.512 1.610 20 0 EDADMP CCCN(C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000654655411 452764403 /nfs/dbraw/zinc/76/44/03/452764403.db2.gz GTVMODOALCFMQZ-MWDXBVQZSA-N 2 1 340.512 1.610 20 0 EDADMP CCCN(C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000654655411 452764412 /nfs/dbraw/zinc/76/44/12/452764412.db2.gz GTVMODOALCFMQZ-MWDXBVQZSA-N 2 1 340.512 1.610 20 0 EDADMP CCCN(C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000654655411 452764415 /nfs/dbraw/zinc/76/44/15/452764415.db2.gz GTVMODOALCFMQZ-MWDXBVQZSA-N 2 1 340.512 1.610 20 0 EDADMP COc1ccc(NC(=O)CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662153386 452888499 /nfs/dbraw/zinc/88/84/99/452888499.db2.gz RAOPJPDJBYCTSJ-KRWDZBQOSA-N 2 1 347.459 1.555 20 0 EDADMP COc1ccc(NC(=O)CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662153386 452888506 /nfs/dbraw/zinc/88/85/06/452888506.db2.gz RAOPJPDJBYCTSJ-KRWDZBQOSA-N 2 1 347.459 1.555 20 0 EDADMP [NH3+][C@H]1C[C@@H](C(=O)N2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1 ZINC000648179158 452891383 /nfs/dbraw/zinc/89/13/83/452891383.db2.gz JBNUWLNSFSYWHS-GASCZTMLSA-N 2 1 331.464 1.320 20 0 EDADMP CC[N@@H+](CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C1CCCCC1 ZINC000652756657 452917810 /nfs/dbraw/zinc/91/78/10/452917810.db2.gz OHFGBHRLGGBYPF-GOSISDBHSA-N 2 1 336.524 1.537 20 0 EDADMP CC[NH+](CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1CCCCC1 ZINC000652756657 452917814 /nfs/dbraw/zinc/91/78/14/452917814.db2.gz OHFGBHRLGGBYPF-GOSISDBHSA-N 2 1 336.524 1.537 20 0 EDADMP CC[NH+](CCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C1CCCCC1 ZINC000652756657 452917821 /nfs/dbraw/zinc/91/78/21/452917821.db2.gz OHFGBHRLGGBYPF-GOSISDBHSA-N 2 1 336.524 1.537 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977869 452965500 /nfs/dbraw/zinc/96/55/00/452965500.db2.gz MGFANRHYIPRTNT-FUHWJXTLSA-N 2 1 348.466 1.153 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977869 452965505 /nfs/dbraw/zinc/96/55/05/452965505.db2.gz MGFANRHYIPRTNT-FUHWJXTLSA-N 2 1 348.466 1.153 20 0 EDADMP CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249385 452974699 /nfs/dbraw/zinc/97/46/99/452974699.db2.gz LVWVSZRGNREGNF-INIZCTEOSA-N 2 1 335.423 1.996 20 0 EDADMP O=C(c1cccc(F)c1)N1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250330 452974842 /nfs/dbraw/zinc/97/48/42/452974842.db2.gz FXJOXKQHMKEKLQ-KRWDZBQOSA-N 2 1 347.434 1.495 20 0 EDADMP Clc1ccccc1CN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662277724 453001712 /nfs/dbraw/zinc/00/17/12/453001712.db2.gz SULYOLLYRIFEJO-INIZCTEOSA-N 2 1 335.879 1.979 20 0 EDADMP CC(C)(C)n1nnc(CC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000662284568 453009199 /nfs/dbraw/zinc/00/91/99/453009199.db2.gz NLQJCNHSTUMOGG-ZNMIVQPWSA-N 2 1 336.484 1.331 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)[N@H+]1CCC[C@H](C)C1 ZINC000666627439 453020136 /nfs/dbraw/zinc/02/01/36/453020136.db2.gz QLASCDXXYLPQFX-UONOGXRCSA-N 2 1 332.448 1.320 20 0 EDADMP CC(C)[NH+]1CCC(N2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)CC1 ZINC000660106563 453031670 /nfs/dbraw/zinc/03/16/70/453031670.db2.gz FWKKEBNQGDLYTG-MRXNPFEDSA-N 2 1 331.451 1.901 20 0 EDADMP COCCOCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327267 453045038 /nfs/dbraw/zinc/04/50/38/453045038.db2.gz LMMKICAFHKZLLD-UHFFFAOYSA-N 2 1 336.480 1.719 20 0 EDADMP c1c([C@H]2CCC[N@H+](CCOCC3CC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000662338977 453055115 /nfs/dbraw/zinc/05/51/15/453055115.db2.gz YGDIOHFEWONHOD-INIZCTEOSA-N 2 1 333.480 1.425 20 0 EDADMP C[N@@H+](CCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000662356716 453070799 /nfs/dbraw/zinc/07/07/99/453070799.db2.gz UOGWYHZFMNYLSM-MRXNPFEDSA-N 2 1 341.459 1.739 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000662364809 453076601 /nfs/dbraw/zinc/07/66/01/453076601.db2.gz MBLYBXFLWRQJPR-MCIONIFRSA-N 2 1 349.479 1.104 20 0 EDADMP C[C@H](NC(=O)CC1([NH3+])CCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065444 453078281 /nfs/dbraw/zinc/07/82/81/453078281.db2.gz GLEVCXYYGWLMKJ-RDJZCZTQSA-N 2 1 331.460 1.664 20 0 EDADMP C[C@H](NC(=O)CC1([NH3+])CCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065444 453078291 /nfs/dbraw/zinc/07/82/91/453078291.db2.gz GLEVCXYYGWLMKJ-RDJZCZTQSA-N 2 1 331.460 1.664 20 0 EDADMP CCn1nnc(C)c1C[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000648446253 453090703 /nfs/dbraw/zinc/09/07/03/453090703.db2.gz SGTLRYAEPHLOBX-HNNXBMFYSA-N 2 1 329.452 1.772 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCOc1ccc3c(c1)OCO3)CCO2 ZINC000646104524 453105579 /nfs/dbraw/zinc/10/55/79/453105579.db2.gz PLYUTKCJXDKHHG-UHFFFAOYSA-N 2 1 348.443 1.981 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@H](C)[NH2+]1 ZINC000662415993 453124761 /nfs/dbraw/zinc/12/47/61/453124761.db2.gz PQBNMUJQVISTKS-CWSCBRNRSA-N 2 1 326.238 1.658 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000666770520 453134147 /nfs/dbraw/zinc/13/41/47/453134147.db2.gz GOTKDWQKZRMOAX-KRWDZBQOSA-N 2 1 344.459 1.335 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662453818 453161432 /nfs/dbraw/zinc/16/14/32/453161432.db2.gz CNMHDQBXNLRUQY-SFHVURJKSA-N 2 1 345.487 1.860 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662471588 453184214 /nfs/dbraw/zinc/18/42/14/453184214.db2.gz JIUGIZXYRNCOBE-RANZSIQMSA-N 2 1 331.460 1.520 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662471588 453184225 /nfs/dbraw/zinc/18/42/25/453184225.db2.gz JIUGIZXYRNCOBE-RANZSIQMSA-N 2 1 331.460 1.520 20 0 EDADMP c1c(CN2CC[NH2+]CC2)nnn1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000656468637 453205725 /nfs/dbraw/zinc/20/57/25/453205725.db2.gz PUKGISHBTAQNBM-GOSISDBHSA-N 2 1 340.475 1.205 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000662492634 453209448 /nfs/dbraw/zinc/20/94/48/453209448.db2.gz NETRBPAYSZQBAS-QGZVFWFLSA-N 2 1 346.475 1.330 20 0 EDADMP C[N@H+](Cc1cnn(CC(F)F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000646197110 453210587 /nfs/dbraw/zinc/21/05/87/453210587.db2.gz RYFAIPBTFDMPOS-MRXNPFEDSA-N 2 1 341.450 1.749 20 0 EDADMP C[N@@H+](Cc1cnn(CC(F)F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000646197110 453210594 /nfs/dbraw/zinc/21/05/94/453210594.db2.gz RYFAIPBTFDMPOS-MRXNPFEDSA-N 2 1 341.450 1.749 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC[N@H+]1C ZINC000648755799 453238134 /nfs/dbraw/zinc/23/81/34/453238134.db2.gz VYRHLAUGKPXFLO-TZMCWYRMSA-N 2 1 346.431 1.435 20 0 EDADMP CC[C@@H]1C[N@H+](CCn2cccn2)CCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648790342 453278874 /nfs/dbraw/zinc/27/88/74/453278874.db2.gz IKOOBAKYYGPQAY-BRWVUGGUSA-N 2 1 333.480 1.146 20 0 EDADMP CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648790342 453278877 /nfs/dbraw/zinc/27/88/77/453278877.db2.gz IKOOBAKYYGPQAY-BRWVUGGUSA-N 2 1 333.480 1.146 20 0 EDADMP CC[C@@H]1C[NH+](CCn2cccn2)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648790342 453278882 /nfs/dbraw/zinc/27/88/82/453278882.db2.gz IKOOBAKYYGPQAY-BRWVUGGUSA-N 2 1 333.480 1.146 20 0 EDADMP CC[C@@H]1C[NH+](CCn2cccn2)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648790342 453278884 /nfs/dbraw/zinc/27/88/84/453278884.db2.gz IKOOBAKYYGPQAY-BRWVUGGUSA-N 2 1 333.480 1.146 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662550553 453281755 /nfs/dbraw/zinc/28/17/55/453281755.db2.gz DDTXIEBJBZYOLQ-KWBADKCTSA-N 2 1 326.238 1.645 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)c2sc3c(c2Br)C[NH2+]C3)CC[NH2+]1 ZINC000662562871 453290472 /nfs/dbraw/zinc/29/04/72/453290472.db2.gz QQRXYBAOEGFCEN-HTQZYQBOSA-N 2 1 344.278 1.984 20 0 EDADMP C[NH+](C)CC[C@@H](N)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000653109945 453296077 /nfs/dbraw/zinc/29/60/77/453296077.db2.gz SEUQHGKOVOIKMB-QGZVFWFLSA-N 2 1 332.492 1.219 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666977516 453297215 /nfs/dbraw/zinc/29/72/15/453297215.db2.gz BSIRAUCCFTUCLB-DLBZAZTESA-N 2 1 338.496 1.365 20 0 EDADMP CCN(C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000666978708 453299469 /nfs/dbraw/zinc/29/94/69/453299469.db2.gz BYYHMCVQRCWZDC-DLBZAZTESA-N 2 1 338.496 1.365 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000648825070 453304255 /nfs/dbraw/zinc/30/42/55/453304255.db2.gz UHIGUDAZJDOLTP-ZBFHGGJFSA-N 2 1 334.464 1.766 20 0 EDADMP C[C@@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241217 453360221 /nfs/dbraw/zinc/36/02/21/453360221.db2.gz GGVYWSVJRGUVOK-HRCADAONSA-N 2 1 337.508 1.865 20 0 EDADMP C[C@@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241217 453360229 /nfs/dbraw/zinc/36/02/29/453360229.db2.gz GGVYWSVJRGUVOK-HRCADAONSA-N 2 1 337.508 1.865 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)[NH+]1CCOCC1 ZINC000662673108 453388613 /nfs/dbraw/zinc/38/86/13/453388613.db2.gz ILMUHBKYVUXMKJ-JKSUJKDBSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662694765 453416013 /nfs/dbraw/zinc/41/60/13/453416013.db2.gz CJJNRKRDEHRKTD-BZUAXINKSA-N 2 1 348.495 1.443 20 0 EDADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@H]1C[NH3+] ZINC000653246923 453431477 /nfs/dbraw/zinc/43/14/77/453431477.db2.gz DLIZIZDXJWGHQV-RCCFBDPRSA-N 2 1 346.475 1.116 20 0 EDADMP C[N@@H+](CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CCCC1 ZINC000660592681 453434513 /nfs/dbraw/zinc/43/45/13/453434513.db2.gz URWLBNAPCLKLGU-KRWDZBQOSA-N 2 1 338.496 1.413 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662713183 453437902 /nfs/dbraw/zinc/43/79/02/453437902.db2.gz YHJLRPHWRAZRAU-INIZCTEOSA-N 2 1 341.402 1.582 20 0 EDADMP C[N@@H+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H](Cc2ccccc2)C1 ZINC000653253966 453437905 /nfs/dbraw/zinc/43/79/05/453437905.db2.gz FPRAXQWWDJPWTD-ROUUACIJSA-N 2 1 331.460 1.140 20 0 EDADMP C[N@H+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H](Cc2ccccc2)C1 ZINC000653253966 453437913 /nfs/dbraw/zinc/43/79/13/453437913.db2.gz FPRAXQWWDJPWTD-ROUUACIJSA-N 2 1 331.460 1.140 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000667151429 453440382 /nfs/dbraw/zinc/44/03/82/453440382.db2.gz KMYFREOSZQNHQD-INIZCTEOSA-N 2 1 348.495 1.688 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)[C@H](C)C1 ZINC000662746623 453477195 /nfs/dbraw/zinc/47/71/95/453477195.db2.gz VFMSJUJSFUNOGE-VYDXJSESSA-N 2 1 348.495 1.395 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662749924 453481526 /nfs/dbraw/zinc/48/15/26/453481526.db2.gz IKQYPQLUJACAPN-QYZOEREBSA-N 2 1 345.487 1.721 20 0 EDADMP C[C@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000662756589 453494546 /nfs/dbraw/zinc/49/45/46/453494546.db2.gz IUGQISCIJZVWHO-SJLPKXTDSA-N 2 1 344.503 1.701 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)CC3([NH3+])CC3)cc2)CC1 ZINC000662758050 453496513 /nfs/dbraw/zinc/49/65/13/453496513.db2.gz QBDPAVXWGLUMKJ-UHFFFAOYSA-N 2 1 332.448 1.133 20 0 EDADMP C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662766409 453504737 /nfs/dbraw/zinc/50/47/37/453504737.db2.gz MIGYPPUSVRWVSD-ZDUSSCGKSA-N 2 1 326.238 1.613 20 0 EDADMP C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662766409 453504745 /nfs/dbraw/zinc/50/47/45/453504745.db2.gz MIGYPPUSVRWVSD-ZDUSSCGKSA-N 2 1 326.238 1.613 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655421383 453517112 /nfs/dbraw/zinc/51/71/12/453517112.db2.gz SMGRJRFYFPNSHU-AEFFLSMTSA-N 2 1 335.492 1.527 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@H]1CCCC[NH2+]1 ZINC000646650666 453540266 /nfs/dbraw/zinc/54/02/66/453540266.db2.gz HLNJGIWXOCNOEY-MSOLQXFVSA-N 2 1 331.460 1.536 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@H]1CCCC[NH2+]1 ZINC000646650666 453540273 /nfs/dbraw/zinc/54/02/73/453540273.db2.gz HLNJGIWXOCNOEY-MSOLQXFVSA-N 2 1 331.460 1.536 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000662867433 453579647 /nfs/dbraw/zinc/57/96/47/453579647.db2.gz LJPVCNPZTPJIRJ-RTBURBONSA-N 2 1 344.503 1.276 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659041702 453596252 /nfs/dbraw/zinc/59/62/52/453596252.db2.gz KTVRRCIXPZWGEG-SJORKVTESA-N 2 1 332.448 1.905 20 0 EDADMP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C[C@@H]1C ZINC000663122471 453694422 /nfs/dbraw/zinc/69/44/22/453694422.db2.gz NEQZYXSTAGSHKQ-HNNXBMFYSA-N 2 1 346.475 1.548 20 0 EDADMP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C[C@@H]1C ZINC000663122471 453694426 /nfs/dbraw/zinc/69/44/26/453694426.db2.gz NEQZYXSTAGSHKQ-HNNXBMFYSA-N 2 1 346.475 1.548 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657160968 453712607 /nfs/dbraw/zinc/71/26/07/453712607.db2.gz MVSGTLJNGGNQAF-HNNXBMFYSA-N 2 1 331.526 1.655 20 0 EDADMP CC(C)CCO[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000663223085 453732599 /nfs/dbraw/zinc/73/25/99/453732599.db2.gz OXALJVVGSVVSJB-HZPDHXFCSA-N 2 1 339.480 1.203 20 0 EDADMP CC(C)CCO[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000663223085 453732603 /nfs/dbraw/zinc/73/26/03/453732603.db2.gz OXALJVVGSVVSJB-HZPDHXFCSA-N 2 1 339.480 1.203 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000665557441 453748695 /nfs/dbraw/zinc/74/86/95/453748695.db2.gz VMEBHAOLPZKLMT-JYJNAYRXSA-N 2 1 338.496 1.100 20 0 EDADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc3n(n2)CCC3)c2cccs2)CC1 ZINC000657287100 453757927 /nfs/dbraw/zinc/75/79/27/453757927.db2.gz VPVSIXXWOZJTIH-QGZVFWFLSA-N 2 1 345.516 1.969 20 0 EDADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CO1 ZINC000657310220 453764102 /nfs/dbraw/zinc/76/41/02/453764102.db2.gz ATWPBXWTEJCRHD-QZTJIDSGSA-N 2 1 331.460 1.731 20 0 EDADMP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccnn3-c3ccncc3)C2)CC1 ZINC000657360193 453773927 /nfs/dbraw/zinc/77/39/27/453773927.db2.gz YVSJNLMJJXWWJO-INIZCTEOSA-N 2 1 340.475 1.525 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCn2cccc2[C@H]1C ZINC000665637212 453777739 /nfs/dbraw/zinc/77/77/39/453777739.db2.gz YARYMDPNJFLCID-JKSUJKDBSA-N 2 1 335.496 1.846 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCn2cccc2[C@H]1C ZINC000665637212 453777742 /nfs/dbraw/zinc/77/77/42/453777742.db2.gz YARYMDPNJFLCID-JKSUJKDBSA-N 2 1 335.496 1.846 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COCc1cccs1 ZINC000663365447 453780692 /nfs/dbraw/zinc/78/06/92/453780692.db2.gz ZVJYCBABHKNEIR-HOTGVXAUSA-N 2 1 340.489 1.469 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCC(C)CC1 ZINC000676245325 486704739 /nfs/dbraw/zinc/70/47/39/486704739.db2.gz LODZVXWCESDEGI-BZUAXINKSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746312 486740534 /nfs/dbraw/zinc/74/05/34/486740534.db2.gz KRBWHJXGBHXFPZ-OCCSQVGLSA-N 2 1 346.431 1.771 20 0 EDADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746312 486740538 /nfs/dbraw/zinc/74/05/38/486740538.db2.gz KRBWHJXGBHXFPZ-OCCSQVGLSA-N 2 1 346.431 1.771 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000578627387 486787565 /nfs/dbraw/zinc/78/75/65/486787565.db2.gz VFIBAVQZYCLMLA-ZFWWWQNUSA-N 2 1 333.432 1.149 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000578627387 486787574 /nfs/dbraw/zinc/78/75/74/486787574.db2.gz VFIBAVQZYCLMLA-ZFWWWQNUSA-N 2 1 333.432 1.149 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)C1 ZINC000680529784 486802236 /nfs/dbraw/zinc/80/22/36/486802236.db2.gz PTWNHPKXWCGWTO-KRWDZBQOSA-N 2 1 344.507 1.683 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)C1 ZINC000680529784 486802240 /nfs/dbraw/zinc/80/22/40/486802240.db2.gz PTWNHPKXWCGWTO-KRWDZBQOSA-N 2 1 344.507 1.683 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000683986371 486897462 /nfs/dbraw/zinc/89/74/62/486897462.db2.gz WMOXLZSPYPRSFL-OWCLPIDISA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000683986371 486897466 /nfs/dbraw/zinc/89/74/66/486897466.db2.gz WMOXLZSPYPRSFL-OWCLPIDISA-N 2 1 340.512 1.467 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cc(C2CC2)no1 ZINC000667812805 486978136 /nfs/dbraw/zinc/97/81/36/486978136.db2.gz XIYUNAXLKMOVPF-INIZCTEOSA-N 2 1 348.491 1.969 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000667854128 486993473 /nfs/dbraw/zinc/99/34/73/486993473.db2.gz ITMKCWYQLBPYSW-QGZVFWFLSA-N 2 1 330.432 1.618 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@H+]([C@H]3CC(=O)N(c4ccccc4)C3=O)C2)CC1 ZINC000677296891 487035811 /nfs/dbraw/zinc/03/58/11/487035811.db2.gz VJAHMHNFEQXFTK-WMZOPIPTSA-N 2 1 341.455 1.982 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000673530240 487048324 /nfs/dbraw/zinc/04/83/24/487048324.db2.gz DZOVCLHIXCDJAF-RTBURBONSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000673530240 487048329 /nfs/dbraw/zinc/04/83/29/487048329.db2.gz DZOVCLHIXCDJAF-RTBURBONSA-N 2 1 345.487 1.614 20 0 EDADMP COC1CC[NH+](CCNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000674326445 487238086 /nfs/dbraw/zinc/23/80/86/487238086.db2.gz BQRIDTLCELIHSY-IYBDPMFKSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685441695 487275283 /nfs/dbraw/zinc/27/52/83/487275283.db2.gz LGYQVLUGWFHGOP-PKOBYXMFSA-N 2 1 347.503 1.922 20 0 EDADMP C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000681970427 487268282 /nfs/dbraw/zinc/26/82/82/487268282.db2.gz UWOLDHZPQRFCHJ-LSDHHAIUSA-N 2 1 340.512 1.203 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCc3nn(C)cc32)CC1 ZINC000527283033 487309102 /nfs/dbraw/zinc/30/91/02/487309102.db2.gz RALFEUKHIZEQPA-INIZCTEOSA-N 2 1 333.480 1.330 20 0 EDADMP O[C@H](C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C[NH+]1CCCC1 ZINC000678895845 487376832 /nfs/dbraw/zinc/37/68/32/487376832.db2.gz UBXAWPQFBAWZFY-VQIMIIECSA-N 2 1 332.444 1.955 20 0 EDADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000678929614 487379545 /nfs/dbraw/zinc/37/95/45/487379545.db2.gz LUDVFVRRSQVSEN-AABGKKOBSA-N 2 1 329.488 1.786 20 0 EDADMP CN(CCC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)c1cc[nH+]cc1 ZINC000679407332 487422892 /nfs/dbraw/zinc/42/28/92/487422892.db2.gz KISZDYOESLTDMF-SFHVURJKSA-N 2 1 346.475 1.621 20 0 EDADMP CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000675763383 487442308 /nfs/dbraw/zinc/44/23/08/487442308.db2.gz LZXXBXLJUFLVNC-CJNGLKHVSA-N 2 1 325.478 1.308 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)O ZINC000683180463 487457883 /nfs/dbraw/zinc/45/78/83/487457883.db2.gz RVGJWQWIMDGZAT-UHFFFAOYSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1=CC[N@H+](C)CC1 ZINC000679710198 487460432 /nfs/dbraw/zinc/46/04/32/487460432.db2.gz QLSZEUUHRXJVJC-WBVHZDCISA-N 2 1 336.480 1.143 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1=CC[N@@H+](C)CC1 ZINC000679710198 487460435 /nfs/dbraw/zinc/46/04/35/487460435.db2.gz QLSZEUUHRXJVJC-WBVHZDCISA-N 2 1 336.480 1.143 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000669534250 485512043 /nfs/dbraw/zinc/51/20/43/485512043.db2.gz DJUYDEJJOPGYAJ-MWDXBVQZSA-N 2 1 338.496 1.317 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000669552594 485546369 /nfs/dbraw/zinc/54/63/69/485546369.db2.gz CHBSHYLOFMBRKN-BFYDXBDKSA-N 2 1 334.464 1.265 20 0 EDADMP Cc1ccc(CNC(=O)NC2(C)CC[NH2+]CC2)c(N2CCCC2)[nH+]1 ZINC000669555750 485557603 /nfs/dbraw/zinc/55/76/03/485557603.db2.gz FVXCTPKHJHSZNC-UHFFFAOYSA-N 2 1 331.464 1.932 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000669561089 485568675 /nfs/dbraw/zinc/56/86/75/485568675.db2.gz FYXVOBNSWSRUDW-FZCLSBEQSA-N 2 1 346.475 1.265 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NC/C=C/C[NH3+])cc2)C[C@H](C)O1 ZINC000669121513 485701805 /nfs/dbraw/zinc/70/18/05/485701805.db2.gz ICFGVUCXTMOTRH-ZOSBBBERSA-N 2 1 346.475 1.610 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000668508658 485824438 /nfs/dbraw/zinc/82/44/38/485824438.db2.gz HPNZNNJJPSRQJC-DLBZAZTESA-N 2 1 338.496 1.130 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000669347617 485996058 /nfs/dbraw/zinc/99/60/58/485996058.db2.gz WJTYJILAHLLAJW-NVXWUHKLSA-N 2 1 333.480 1.012 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000669347617 485996063 /nfs/dbraw/zinc/99/60/63/485996063.db2.gz WJTYJILAHLLAJW-NVXWUHKLSA-N 2 1 333.480 1.012 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000669347617 485996066 /nfs/dbraw/zinc/99/60/66/485996066.db2.gz WJTYJILAHLLAJW-NVXWUHKLSA-N 2 1 333.480 1.012 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000669427257 486149444 /nfs/dbraw/zinc/14/94/44/486149444.db2.gz SVTXWBAPOPDLKX-YOEHRIQHSA-N 2 1 334.464 1.396 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)NC/C=C/C[NH3+])CCCCC2)CCO1 ZINC000669470862 486222782 /nfs/dbraw/zinc/22/27/82/486222782.db2.gz RZXFQUOFZGDWQP-VOTSOKGWSA-N 2 1 338.496 1.614 20 0 EDADMP C[C@@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000131249343 491212205 /nfs/dbraw/zinc/21/22/05/491212205.db2.gz GNPOWROVMFVPBG-ZBFHGGJFSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000131249343 491212208 /nfs/dbraw/zinc/21/22/08/491212208.db2.gz GNPOWROVMFVPBG-ZBFHGGJFSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+](C)C1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000131249343 491212210 /nfs/dbraw/zinc/21/22/10/491212210.db2.gz GNPOWROVMFVPBG-ZBFHGGJFSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+](C)C1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000131249343 491212213 /nfs/dbraw/zinc/21/22/13/491212213.db2.gz GNPOWROVMFVPBG-ZBFHGGJFSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000133946767 491223170 /nfs/dbraw/zinc/22/31/70/491223170.db2.gz IGCMCXNFEJRHGE-PMPSAXMXSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000133946767 491223172 /nfs/dbraw/zinc/22/31/72/491223172.db2.gz IGCMCXNFEJRHGE-PMPSAXMXSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000133946767 491223175 /nfs/dbraw/zinc/22/31/75/491223175.db2.gz IGCMCXNFEJRHGE-PMPSAXMXSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133946767 491223179 /nfs/dbraw/zinc/22/31/79/491223179.db2.gz IGCMCXNFEJRHGE-PMPSAXMXSA-N 2 1 340.512 1.515 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000683377302 491012826 /nfs/dbraw/zinc/01/28/26/491012826.db2.gz ZKSXXBALSSKWQF-IRXDYDNUSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCC[C@H](C)C1 ZINC000173919081 533999666 /nfs/dbraw/zinc/99/96/66/533999666.db2.gz QURXGRLKDZWAAF-GJZGRUSLSA-N 2 1 336.484 1.687 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000165364303 534454766 /nfs/dbraw/zinc/45/47/66/534454766.db2.gz BYHMCQSSTYJYBF-MRXNPFEDSA-N 2 1 330.432 1.074 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000165364303 534454773 /nfs/dbraw/zinc/45/47/73/534454773.db2.gz BYHMCQSSTYJYBF-MRXNPFEDSA-N 2 1 330.432 1.074 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000346964668 536441309 /nfs/dbraw/zinc/44/13/09/536441309.db2.gz BOPAYRZXEVBGLA-SFHVURJKSA-N 2 1 347.459 1.108 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000346964668 536441313 /nfs/dbraw/zinc/44/13/13/536441313.db2.gz BOPAYRZXEVBGLA-SFHVURJKSA-N 2 1 347.459 1.108 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000171898706 528011702 /nfs/dbraw/zinc/01/17/02/528011702.db2.gz OPAPELIFFLIZGX-KRWDZBQOSA-N 2 1 340.512 1.515 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000187414727 528538859 /nfs/dbraw/zinc/53/88/59/528538859.db2.gz TVWBKFFQRDXBHQ-FUHWJXTLSA-N 2 1 348.491 1.120 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000187414727 528538865 /nfs/dbraw/zinc/53/88/65/528538865.db2.gz TVWBKFFQRDXBHQ-FUHWJXTLSA-N 2 1 348.491 1.120 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000187414727 528538873 /nfs/dbraw/zinc/53/88/73/528538873.db2.gz TVWBKFFQRDXBHQ-FUHWJXTLSA-N 2 1 348.491 1.120 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000187360855 528540879 /nfs/dbraw/zinc/54/08/79/528540879.db2.gz GMQDMLQGOBFAIQ-WMZOPIPTSA-N 2 1 348.491 1.263 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000187360855 528540880 /nfs/dbraw/zinc/54/08/80/528540880.db2.gz GMQDMLQGOBFAIQ-WMZOPIPTSA-N 2 1 348.491 1.263 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000187360855 528540881 /nfs/dbraw/zinc/54/08/81/528540881.db2.gz GMQDMLQGOBFAIQ-WMZOPIPTSA-N 2 1 348.491 1.263 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000236798132 535123698 /nfs/dbraw/zinc/12/36/98/535123698.db2.gz PDSPVUZTGQFYOM-MSOLQXFVSA-N 2 1 331.460 1.174 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000262164178 535315777 /nfs/dbraw/zinc/31/57/77/535315777.db2.gz VNNYOJXNEYBQEV-IBGZPJMESA-N 2 1 346.519 1.684 20 0 EDADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261890216 535422729 /nfs/dbraw/zinc/42/27/29/535422729.db2.gz GIWWQHNRSGNIDT-KZNAEPCWSA-N 2 1 331.460 1.683 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[NH+](C)[C@H]2C)CC[N@H+]1CCOC ZINC000345760631 535432031 /nfs/dbraw/zinc/43/20/31/535432031.db2.gz UYLUGATXJWZBEX-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC[NH+]1CCOC ZINC000345760631 535432035 /nfs/dbraw/zinc/43/20/35/535432035.db2.gz UYLUGATXJWZBEX-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC[NH+]1CCOC ZINC000345760631 535432040 /nfs/dbraw/zinc/43/20/40/535432040.db2.gz UYLUGATXJWZBEX-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)N2CC[NH+](CC)CC2)C12CCCC2 ZINC000347695884 535511582 /nfs/dbraw/zinc/51/15/82/535511582.db2.gz ATYARGYVQWGFCH-YESZJQIVSA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+](CC)CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264293011 535537589 /nfs/dbraw/zinc/53/75/89/535537589.db2.gz HGCWJCPCSFMCGK-GOSISDBHSA-N 2 1 332.492 1.433 20 0 EDADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]([NH2+]C)c2cnn(C)c2)c1 ZINC000262434400 535607806 /nfs/dbraw/zinc/60/78/06/535607806.db2.gz UEDZFLMGJWQDEB-GOSISDBHSA-N 2 1 343.475 1.839 20 0 EDADMP CC[C@@H](NC(=O)CCC[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236889148 535785694 /nfs/dbraw/zinc/78/56/94/535785694.db2.gz VDBUZXUETMTEPE-MSOLQXFVSA-N 2 1 333.476 1.782 20 0 EDADMP CC[C@@H](NC(=O)CCC[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236889148 535785695 /nfs/dbraw/zinc/78/56/95/535785695.db2.gz VDBUZXUETMTEPE-MSOLQXFVSA-N 2 1 333.476 1.782 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000237085061 535848141 /nfs/dbraw/zinc/84/81/41/535848141.db2.gz BQCDLXWFNQLYSS-MAUKXSAKSA-N 2 1 332.492 1.424 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261660021 535876693 /nfs/dbraw/zinc/87/66/93/535876693.db2.gz BDBZMIGTFMMSEE-WMLDXEAASA-N 2 1 334.464 1.626 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)ccc1=O ZINC000270060082 535935562 /nfs/dbraw/zinc/93/55/62/535935562.db2.gz FCTOQCSUMDDCAK-GOSISDBHSA-N 2 1 342.443 1.651 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000262433777 536109227 /nfs/dbraw/zinc/10/92/27/536109227.db2.gz GBWUEPPOZGWWKU-AWEZNQCLSA-N 2 1 325.478 1.498 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000079067364 536129177 /nfs/dbraw/zinc/12/91/77/536129177.db2.gz RGNVMJMMHAMZFM-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP CC[C@H](NC(=O)CC(C)(C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236988363 536154290 /nfs/dbraw/zinc/15/42/90/536154290.db2.gz TUVUNHPWOPYRQW-DLBZAZTESA-N 2 1 333.476 1.910 20 0 EDADMP CC[C@H](NC(=O)CC(C)(C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236988363 536154294 /nfs/dbraw/zinc/15/42/94/536154294.db2.gz TUVUNHPWOPYRQW-DLBZAZTESA-N 2 1 333.476 1.910 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000237201392 536406747 /nfs/dbraw/zinc/40/67/47/536406747.db2.gz GZRZVOPWTMSVDM-LSDHHAIUSA-N 2 1 330.432 1.140 20 0 EDADMP COCCOc1cc2c(cc1C[N@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C1)OCO2 ZINC000346813312 536601809 /nfs/dbraw/zinc/60/18/09/536601809.db2.gz AQRXJUYYLZUCNZ-IMJJTQAJSA-N 2 1 348.443 2.000 20 0 EDADMP COC[C@@H]([NH3+])C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000262349009 536666739 /nfs/dbraw/zinc/66/67/39/536666739.db2.gz UFMGDCBNYBBKSY-SJORKVTESA-N 2 1 333.476 1.549 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000249750953 536790205 /nfs/dbraw/zinc/79/02/05/536790205.db2.gz AVHJCNOZUBTURJ-BBWFWOEESA-N 2 1 342.528 1.620 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249750953 536790206 /nfs/dbraw/zinc/79/02/06/536790206.db2.gz AVHJCNOZUBTURJ-BBWFWOEESA-N 2 1 342.528 1.620 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249750953 536790212 /nfs/dbraw/zinc/79/02/12/536790212.db2.gz AVHJCNOZUBTURJ-BBWFWOEESA-N 2 1 342.528 1.620 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000759724226 580013142 /nfs/dbraw/zinc/01/31/42/580013142.db2.gz YZUKVMHLVUDJJD-UHFFFAOYSA-N 2 1 325.497 1.558 20 0 EDADMP c1cn2c(n1)C[NH+](CCCCCC[N@H+]1CCn3ccnc3C1)CC2 ZINC000729814100 578594500 /nfs/dbraw/zinc/59/45/00/578594500.db2.gz JNTLSWKPKZCFAQ-UHFFFAOYSA-N 2 1 328.464 1.971 20 0 EDADMP Cc1ccc(N2CCC[C@@H]([N@H+](C)C[C@@H](O)C[NH+]3CCCC3)C2)nn1 ZINC000729929399 578602309 /nfs/dbraw/zinc/60/23/09/578602309.db2.gz UJQIJNZIPYDOPL-IAGOWNOFSA-N 2 1 333.480 1.142 20 0 EDADMP Cc1ccc(N2CCC[C@@H]([N@@H+](C)C[C@@H](O)C[NH+]3CCCC3)C2)nn1 ZINC000729929399 578602311 /nfs/dbraw/zinc/60/23/11/578602311.db2.gz UJQIJNZIPYDOPL-IAGOWNOFSA-N 2 1 333.480 1.142 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760477838 580031668 /nfs/dbraw/zinc/03/16/68/580031668.db2.gz OZJDYFGAKHSVRR-MRXNPFEDSA-N 2 1 326.554 1.913 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=S)NCC1CC[NH+](C)CC1 ZINC000760478427 580031733 /nfs/dbraw/zinc/03/17/33/580031733.db2.gz KBZSGXJVWUIVJC-GJZGRUSLSA-N 2 1 326.554 1.913 20 0 EDADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000732289204 578703272 /nfs/dbraw/zinc/70/32/72/578703272.db2.gz MPTSQLLFESTLBD-IAGOWNOFSA-N 2 1 325.497 1.556 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000732289204 578703274 /nfs/dbraw/zinc/70/32/74/578703274.db2.gz MPTSQLLFESTLBD-IAGOWNOFSA-N 2 1 325.497 1.556 20 0 EDADMP C[NH+](C)C1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000760558934 580033680 /nfs/dbraw/zinc/03/36/80/580033680.db2.gz FJAAYDMYVZSZFA-SFHVURJKSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C(C)C ZINC000734667327 578828581 /nfs/dbraw/zinc/82/85/81/578828581.db2.gz YELIWWXQKXHNEX-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP CC[NH+](CCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C(C)C ZINC000734667327 578828583 /nfs/dbraw/zinc/82/85/83/578828583.db2.gz YELIWWXQKXHNEX-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP CC[NH+](CCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C(C)C ZINC000734667327 578828584 /nfs/dbraw/zinc/82/85/84/578828584.db2.gz YELIWWXQKXHNEX-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H](CNC(=O)NCCCCN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000737036832 579042514 /nfs/dbraw/zinc/04/25/14/579042514.db2.gz MCERPMKDPPFDET-QGZVFWFLSA-N 2 1 339.528 1.188 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=S)NCC[NH+](C)C ZINC000749829013 579741430 /nfs/dbraw/zinc/74/14/30/579741430.db2.gz KQWTVBGLINDFDT-RDJZCZTQSA-N 2 1 334.533 1.923 20 0 EDADMP C[C@H](C(=O)N(CCc1ccccc1)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000755072943 579919381 /nfs/dbraw/zinc/91/93/81/579919381.db2.gz DQTBNZIRHQUTLP-GOSISDBHSA-N 2 1 346.519 1.255 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000757024258 579962377 /nfs/dbraw/zinc/96/23/77/579962377.db2.gz PZFYLTQARYIMSV-JFIYKMOQSA-N 2 1 344.459 1.336 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000757024258 579962378 /nfs/dbraw/zinc/96/23/78/579962378.db2.gz PZFYLTQARYIMSV-JFIYKMOQSA-N 2 1 344.459 1.336 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000757024258 579962379 /nfs/dbraw/zinc/96/23/79/579962379.db2.gz PZFYLTQARYIMSV-JFIYKMOQSA-N 2 1 344.459 1.336 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000757024258 579962380 /nfs/dbraw/zinc/96/23/80/579962380.db2.gz PZFYLTQARYIMSV-JFIYKMOQSA-N 2 1 344.459 1.336 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cn2cnc(-c3ccccn3)n2)C1 ZINC000762497547 580075956 /nfs/dbraw/zinc/07/59/56/580075956.db2.gz IZRWJYHNVCQNSR-MRXNPFEDSA-N 2 1 344.463 1.730 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cn2cnc(-c3ccccn3)n2)C1 ZINC000762497547 580075957 /nfs/dbraw/zinc/07/59/57/580075957.db2.gz IZRWJYHNVCQNSR-MRXNPFEDSA-N 2 1 344.463 1.730 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763675752 580103895 /nfs/dbraw/zinc/10/38/95/580103895.db2.gz OFHDFCRWXQPAHI-ZACQAIPSSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@@H]1CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC12CCC2 ZINC000770669253 580267161 /nfs/dbraw/zinc/26/71/61/580267161.db2.gz CDVGCAZYOYRQRD-CQSZACIVSA-N 2 1 334.464 1.472 20 0 EDADMP C[C@@H]1CC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC12CCC2 ZINC000770669253 580267162 /nfs/dbraw/zinc/26/71/62/580267162.db2.gz CDVGCAZYOYRQRD-CQSZACIVSA-N 2 1 334.464 1.472 20 0 EDADMP Cc1cc(C)n2c(C[NH2+]CCCN3CCC[N@H+](C)CC3)cnc2n1 ZINC000771945321 580299184 /nfs/dbraw/zinc/29/91/84/580299184.db2.gz IOXFHJCJYKUXJF-UHFFFAOYSA-N 2 1 330.480 1.463 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786812369 580679903 /nfs/dbraw/zinc/67/99/03/580679903.db2.gz VLTBCLAXESSWOU-OAHLLOKOSA-N 2 1 346.475 1.978 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000794375671 580889546 /nfs/dbraw/zinc/88/95/46/580889546.db2.gz SUMGZZFEUKSPRK-CVEARBPZSA-N 2 1 341.496 1.680 20 0 EDADMP C[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000794553040 580897464 /nfs/dbraw/zinc/89/74/64/580897464.db2.gz LAQWCMBEOBUGSR-VFSICIBPSA-N 2 1 341.496 1.819 20 0 EDADMP C[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000794553040 580897465 /nfs/dbraw/zinc/89/74/65/580897465.db2.gz LAQWCMBEOBUGSR-VFSICIBPSA-N 2 1 341.496 1.819 20 0 EDADMP C[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000794553040 580897466 /nfs/dbraw/zinc/89/74/66/580897466.db2.gz LAQWCMBEOBUGSR-VFSICIBPSA-N 2 1 341.496 1.819 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000799742578 581035771 /nfs/dbraw/zinc/03/57/71/581035771.db2.gz AUZQSQJSFWFKGI-UHFFFAOYSA-N 2 1 326.529 1.641 20 0 EDADMP CCCCCC[NH+](C)CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000799742578 581035772 /nfs/dbraw/zinc/03/57/72/581035772.db2.gz AUZQSQJSFWFKGI-UHFFFAOYSA-N 2 1 326.529 1.641 20 0 EDADMP CCCCCC[NH+](C)CC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000799742578 581035773 /nfs/dbraw/zinc/03/57/73/581035773.db2.gz AUZQSQJSFWFKGI-UHFFFAOYSA-N 2 1 326.529 1.641 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000801577869 581080545 /nfs/dbraw/zinc/08/05/45/581080545.db2.gz SAYMBCSOPARPOD-MAUKXSAKSA-N 2 1 341.496 1.680 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000801577869 581080546 /nfs/dbraw/zinc/08/05/46/581080546.db2.gz SAYMBCSOPARPOD-MAUKXSAKSA-N 2 1 341.496 1.680 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000891816030 590634621 /nfs/dbraw/zinc/63/46/21/590634621.db2.gz JLRBZZFKADCJBM-INIZCTEOSA-N 2 1 348.491 1.911 20 0 EDADMP C[NH+]1CCC2(CCN2C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000891882184 590668378 /nfs/dbraw/zinc/66/83/78/590668378.db2.gz PZECFYFJVSIVNN-UHFFFAOYSA-N 2 1 342.487 1.924 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000893190998 590702877 /nfs/dbraw/zinc/70/28/77/590702877.db2.gz HRYOXIVJMINQDN-INIZCTEOSA-N 2 1 344.503 1.869 20 0 EDADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=S)NCCC[NH+]1CCOCC1 ZINC000806590254 590749881 /nfs/dbraw/zinc/74/98/81/590749881.db2.gz UYCQMPGZHFPRQJ-CVEARBPZSA-N 2 1 340.537 1.142 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000892129977 590814361 /nfs/dbraw/zinc/81/43/61/590814361.db2.gz FFYKPWIUQZMYDR-MRXNPFEDSA-N 2 1 345.491 1.830 20 0 EDADMP C[C@@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@H](C)[NH3+] ZINC000892145144 590821406 /nfs/dbraw/zinc/82/14/06/590821406.db2.gz LBYRFMGNPKOKNE-CIRFHOKZSA-N 2 1 330.476 1.886 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N[C@H]3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000892168999 590839561 /nfs/dbraw/zinc/83/95/61/590839561.db2.gz HUWMOFSEZYWBGR-BZSNNMDCSA-N 2 1 330.476 1.996 20 0 EDADMP Cn1ncc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1C1CC1 ZINC000892175901 590846027 /nfs/dbraw/zinc/84/60/27/590846027.db2.gz QJLCEGWJTDQBHO-INIZCTEOSA-N 2 1 331.464 1.036 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000892200396 590861140 /nfs/dbraw/zinc/86/11/40/590861140.db2.gz PLIGPINDJMDOBM-XYJFISCASA-N 2 1 348.491 1.621 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000892200396 590861142 /nfs/dbraw/zinc/86/11/42/590861142.db2.gz PLIGPINDJMDOBM-XYJFISCASA-N 2 1 348.491 1.621 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000892211729 590865248 /nfs/dbraw/zinc/86/52/48/590865248.db2.gz MDBFWCDPNBGBQZ-SJLPKXTDSA-N 2 1 332.492 1.943 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)C(C)(C)C[NH+](C)C ZINC000893549694 590954024 /nfs/dbraw/zinc/95/40/24/590954024.db2.gz ZIAISUVKKMUTDC-XHSDSOJGSA-N 2 1 340.512 1.203 20 0 EDADMP C[N@@H+](CCN1CCN(c2cc[nH+]cc2CO)CC1)Cc1ccccc1 ZINC000892335736 590963770 /nfs/dbraw/zinc/96/37/70/590963770.db2.gz VPQXULMGIIHQJC-UHFFFAOYSA-N 2 1 340.471 1.828 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccco1 ZINC000892410905 591016508 /nfs/dbraw/zinc/01/65/08/591016508.db2.gz DFUROPZHGWATBH-XHSDSOJGSA-N 2 1 334.464 1.866 20 0 EDADMP C[NH+]1CCC(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000892421491 591021081 /nfs/dbraw/zinc/02/10/81/591021081.db2.gz LHKGYOSASUZTIC-KRWDZBQOSA-N 3 1 336.549 1.968 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892489139 591046729 /nfs/dbraw/zinc/04/67/29/591046729.db2.gz FCSLSGOBLYXTRH-OAHLLOKOSA-N 2 1 340.512 1.253 20 0 EDADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000891364268 591061315 /nfs/dbraw/zinc/06/13/15/591061315.db2.gz TXORULOQOVUBFK-RYUDHWBXSA-N 2 1 335.477 1.296 20 0 EDADMP O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000891366765 591062872 /nfs/dbraw/zinc/06/28/72/591062872.db2.gz ZMNFWIAPNCJDDS-AWEZNQCLSA-N 2 1 328.460 1.616 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892535669 591063269 /nfs/dbraw/zinc/06/32/69/591063269.db2.gz HEQXFSZIKMHHFY-BPQIPLTHSA-N 2 1 346.475 1.232 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892535669 591063273 /nfs/dbraw/zinc/06/32/73/591063273.db2.gz HEQXFSZIKMHHFY-BPQIPLTHSA-N 2 1 346.475 1.232 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000891521951 591105694 /nfs/dbraw/zinc/10/56/94/591105694.db2.gz FRJIFVOYFQSMIC-SJORKVTESA-N 2 1 338.496 1.100 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)N3C[C@@H]([NH3+])C[C@@H]3C)CC2)oc1C ZINC000891543886 591117560 /nfs/dbraw/zinc/11/75/60/591117560.db2.gz OCUNIIAYHNYWPH-LRDDRELGSA-N 2 1 349.479 1.635 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891544237 591117637 /nfs/dbraw/zinc/11/76/37/591117637.db2.gz ALUXVWVVRNSCLR-INIZCTEOSA-N 2 1 334.489 1.049 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCC(C)(C)[NH3+] ZINC000891566966 591129609 /nfs/dbraw/zinc/12/96/09/591129609.db2.gz FMQUCLVNHFJZHM-HNNXBMFYSA-N 2 1 348.495 1.019 20 0 EDADMP C[C@@H](CNC(=O)NCC[C@@H]([NH3+])Cc1ccccc1)C[NH+]1CCOCC1 ZINC000891584073 591135952 /nfs/dbraw/zinc/13/59/52/591135952.db2.gz OVCSBAPJRNHOEW-FUHWJXTLSA-N 2 1 348.491 1.214 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892758595 591162271 /nfs/dbraw/zinc/16/22/71/591162271.db2.gz KOLDIWJPTABXIL-JKSUJKDBSA-N 2 1 338.496 1.271 20 0 EDADMP Cc1ccnc(N)c1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000894005862 591166522 /nfs/dbraw/zinc/16/65/22/591166522.db2.gz MHHKYHDSVZBXOQ-UHFFFAOYSA-N 2 1 345.491 1.348 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CCC1(C)C ZINC000892791095 591177505 /nfs/dbraw/zinc/17/75/05/591177505.db2.gz KFXNXKWVJUUJEV-QGZVFWFLSA-N 2 1 330.476 1.827 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000891671525 591178850 /nfs/dbraw/zinc/17/88/50/591178850.db2.gz XSQBLNBDXBDFBV-UONOGXRCSA-N 2 1 332.439 1.508 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000891740302 591205447 /nfs/dbraw/zinc/20/54/47/591205447.db2.gz UCNUZKCKMTXOSL-MRXNPFEDSA-N 2 1 342.528 1.572 20 0 EDADMP Cc1ccc(CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(N2CCCC2)[nH+]1 ZINC000891764878 591217271 /nfs/dbraw/zinc/21/72/71/591217271.db2.gz IQIGWQPUHXRVFO-QFBILLFUSA-N 2 1 343.475 1.741 20 0 EDADMP OCc1c[nH+]ccc1NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000891769772 591218898 /nfs/dbraw/zinc/21/88/98/591218898.db2.gz MGMSNJVLLQGDJT-UHFFFAOYSA-N 2 1 340.471 1.616 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000892924305 591226379 /nfs/dbraw/zinc/22/63/79/591226379.db2.gz UUTMKYNZCORUQA-INIZCTEOSA-N 2 1 337.512 1.022 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000894234516 591240015 /nfs/dbraw/zinc/24/00/15/591240015.db2.gz UAMGQDCOJZUEGE-XGXHKWSGSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000894234516 591240016 /nfs/dbraw/zinc/24/00/16/591240016.db2.gz UAMGQDCOJZUEGE-XGXHKWSGSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000894234516 591240019 /nfs/dbraw/zinc/24/00/19/591240019.db2.gz UAMGQDCOJZUEGE-XGXHKWSGSA-N 2 1 342.487 1.852 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)N[C@H]3CC[NH+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC000895803816 591276970 /nfs/dbraw/zinc/27/69/70/591276970.db2.gz GDUAGFSXAMKAFW-GJYPPUQNSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC000895803816 591276971 /nfs/dbraw/zinc/27/69/71/591276971.db2.gz GDUAGFSXAMKAFW-GJYPPUQNSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC000895803816 591276972 /nfs/dbraw/zinc/27/69/72/591276972.db2.gz GDUAGFSXAMKAFW-GJYPPUQNSA-N 2 1 334.508 1.987 20 0 EDADMP COCC[NH+](CCOC)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000894422461 591311341 /nfs/dbraw/zinc/31/13/41/591311341.db2.gz JSJKKCLYZLCJNC-UHFFFAOYSA-N 3 1 327.513 1.387 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000897376692 591353411 /nfs/dbraw/zinc/35/34/11/591353411.db2.gz CWVGBYWBLXOTLE-QLFBSQMISA-N 2 1 325.522 1.897 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000897376692 591353416 /nfs/dbraw/zinc/35/34/16/591353416.db2.gz CWVGBYWBLXOTLE-QLFBSQMISA-N 2 1 325.522 1.897 20 0 EDADMP C[C@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000896291540 591416841 /nfs/dbraw/zinc/41/68/41/591416841.db2.gz CPYQCKLIZUGWHR-CRAIPNDOSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1CCc2[nH]nc(C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)c2C1 ZINC000896324878 591418846 /nfs/dbraw/zinc/41/88/46/591418846.db2.gz KVTNBFVRAPBWGX-ZIAGYGMSSA-N 2 1 345.491 1.433 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[NH+]2CCC(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000898592356 591426529 /nfs/dbraw/zinc/42/65/29/591426529.db2.gz MBWHZRAVDSZNKC-OAHLLOKOSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000898592356 591426534 /nfs/dbraw/zinc/42/65/34/591426534.db2.gz MBWHZRAVDSZNKC-OAHLLOKOSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000898592356 591426537 /nfs/dbraw/zinc/42/65/37/591426537.db2.gz MBWHZRAVDSZNKC-OAHLLOKOSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898594892 591427534 /nfs/dbraw/zinc/42/75/34/591427534.db2.gz VQDDXSRQDOCQKM-UHFFFAOYSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000894883708 591455886 /nfs/dbraw/zinc/45/58/86/591455886.db2.gz AESVIYFTJZBJNV-KANFNMMFSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000894883708 591455889 /nfs/dbraw/zinc/45/58/89/591455889.db2.gz AESVIYFTJZBJNV-KANFNMMFSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000894883708 591455892 /nfs/dbraw/zinc/45/58/92/591455892.db2.gz AESVIYFTJZBJNV-KANFNMMFSA-N 2 1 342.487 1.852 20 0 EDADMP CSC1(CNC(=O)NCC[N@H+]2CC[C@@H](C)C2)CC[NH+](C)CC1 ZINC000894951914 591497988 /nfs/dbraw/zinc/49/79/88/591497988.db2.gz YAQNYCLUIOADTO-CQSZACIVSA-N 2 1 328.526 1.455 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000897514838 591514995 /nfs/dbraw/zinc/51/49/95/591514995.db2.gz AITRKUDRWPNABK-IAGOWNOFSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000897515139 591515584 /nfs/dbraw/zinc/51/55/84/591515584.db2.gz JRTUQYPIPQXKCO-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCN1CCN(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000897569120 591558515 /nfs/dbraw/zinc/55/85/15/591558515.db2.gz OJZHWAHZKAHNST-MSOLQXFVSA-N 2 1 330.476 1.679 20 0 EDADMP CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000897569120 591558518 /nfs/dbraw/zinc/55/85/18/591558518.db2.gz OJZHWAHZKAHNST-MSOLQXFVSA-N 2 1 330.476 1.679 20 0 EDADMP CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000897569120 591558520 /nfs/dbraw/zinc/55/85/20/591558520.db2.gz OJZHWAHZKAHNST-MSOLQXFVSA-N 2 1 330.476 1.679 20 0 EDADMP Cc1nc2ccccn2c1CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000898963015 591618022 /nfs/dbraw/zinc/61/80/22/591618022.db2.gz VRVCMCWRFFTYQN-KBPBESRZSA-N 2 1 345.447 1.239 20 0 EDADMP Cc1nc2ccccn2c1CNC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C ZINC000898963015 591618024 /nfs/dbraw/zinc/61/80/24/591618024.db2.gz VRVCMCWRFFTYQN-KBPBESRZSA-N 2 1 345.447 1.239 20 0 EDADMP COc1cc(C[NH+](C)C)ccc1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000909478319 591623339 /nfs/dbraw/zinc/62/33/39/591623339.db2.gz WCWDDLLWCJMLQY-UHFFFAOYSA-N 2 1 334.464 1.189 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1N=NC(=O)N1C ZINC000895183331 591646704 /nfs/dbraw/zinc/64/67/04/591646704.db2.gz ILUQQMDCJXTURA-AWEZNQCLSA-N 2 1 345.447 1.846 20 0 EDADMP CO[C@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)Cc3cccnc3N2C1 ZINC000899163799 591712146 /nfs/dbraw/zinc/71/21/46/591712146.db2.gz JQQIFLHDAJJYNF-PMPSAXMXSA-N 2 1 330.432 1.112 20 0 EDADMP CO[C@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C)Cc3cccnc3N2C1 ZINC000899163799 591712149 /nfs/dbraw/zinc/71/21/49/591712149.db2.gz JQQIFLHDAJJYNF-PMPSAXMXSA-N 2 1 330.432 1.112 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000899601357 591866749 /nfs/dbraw/zinc/86/67/49/591866749.db2.gz LVZVBOQMAMTNPB-CVEARBPZSA-N 2 1 340.537 1.188 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000899601357 591866755 /nfs/dbraw/zinc/86/67/55/591866755.db2.gz LVZVBOQMAMTNPB-CVEARBPZSA-N 2 1 340.537 1.188 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000899601357 591866761 /nfs/dbraw/zinc/86/67/61/591866761.db2.gz LVZVBOQMAMTNPB-CVEARBPZSA-N 2 1 340.537 1.188 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000899601359 591866857 /nfs/dbraw/zinc/86/68/57/591866857.db2.gz LVZVBOQMAMTNPB-HZPDHXFCSA-N 2 1 340.537 1.188 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000899601359 591866862 /nfs/dbraw/zinc/86/68/62/591866862.db2.gz LVZVBOQMAMTNPB-HZPDHXFCSA-N 2 1 340.537 1.188 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000899601359 591866867 /nfs/dbraw/zinc/86/68/67/591866867.db2.gz LVZVBOQMAMTNPB-HZPDHXFCSA-N 2 1 340.537 1.188 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC[N@@H+]1C ZINC000898368772 591894018 /nfs/dbraw/zinc/89/40/18/591894018.db2.gz PZBVGBOYVFIGLZ-GRYCIOLGSA-N 2 1 325.844 1.487 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC[N@H+]1C ZINC000898368772 591894022 /nfs/dbraw/zinc/89/40/22/591894022.db2.gz PZBVGBOYVFIGLZ-GRYCIOLGSA-N 2 1 325.844 1.487 20 0 EDADMP CCn1cnc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000902258638 591955661 /nfs/dbraw/zinc/95/56/61/591955661.db2.gz YCJLUOLFLSUBGK-UHFFFAOYSA-N 2 1 329.448 1.484 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000900250031 591959502 /nfs/dbraw/zinc/95/95/02/591959502.db2.gz SBWXRCZCSFKJEJ-MJGOQNOKSA-N 2 1 346.475 1.222 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000900250031 591959504 /nfs/dbraw/zinc/95/95/04/591959504.db2.gz SBWXRCZCSFKJEJ-MJGOQNOKSA-N 2 1 346.475 1.222 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000900250031 591959506 /nfs/dbraw/zinc/95/95/06/591959506.db2.gz SBWXRCZCSFKJEJ-MJGOQNOKSA-N 2 1 346.475 1.222 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000900250031 591959509 /nfs/dbraw/zinc/95/95/09/591959509.db2.gz SBWXRCZCSFKJEJ-MJGOQNOKSA-N 2 1 346.475 1.222 20 0 EDADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)c1 ZINC000900251925 591960741 /nfs/dbraw/zinc/96/07/41/591960741.db2.gz NZEJUHKOBYHYAI-HKUYNNGSSA-N 2 1 333.476 1.600 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H](NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000902363865 591986944 /nfs/dbraw/zinc/98/69/44/591986944.db2.gz NZQXYKFSFDUQOA-RTBURBONSA-N 2 1 331.504 1.773 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000902363865 591986946 /nfs/dbraw/zinc/98/69/46/591986946.db2.gz NZQXYKFSFDUQOA-RTBURBONSA-N 2 1 331.504 1.773 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000900417455 592013334 /nfs/dbraw/zinc/01/33/34/592013334.db2.gz NTAKPHSQKAQIAI-IBGZPJMESA-N 2 1 337.508 1.604 20 0 EDADMP CC[NH+](CC)CC1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900426053 592014963 /nfs/dbraw/zinc/01/49/63/592014963.db2.gz YWNOBAWBZKLJOO-GOSISDBHSA-N 2 1 325.497 1.414 20 0 EDADMP [NH2+]=C(NOCc1ccn(C2CCCC2)n1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902809115 592067916 /nfs/dbraw/zinc/06/79/16/592067916.db2.gz ANORLDQXCORTKR-JKSUJKDBSA-N 2 1 333.436 1.860 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900661700 592084791 /nfs/dbraw/zinc/08/47/91/592084791.db2.gz ZEYVBYRYSPTOKI-DAWZGUTISA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H]1CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]31)C2 ZINC000903112777 592123000 /nfs/dbraw/zinc/12/30/00/592123000.db2.gz QKDHBTAGSZOGDD-JZSTXODBSA-N 2 1 334.504 1.869 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCN(C(C)C)CC2)C[C@@H]1C ZINC000900801416 592142239 /nfs/dbraw/zinc/14/22/39/592142239.db2.gz QSJQMOHNYGPULK-ZWKOTPCHSA-N 2 1 338.540 1.734 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCN(C(C)C)CC2)C[C@@H]1C ZINC000900801416 592142242 /nfs/dbraw/zinc/14/22/42/592142242.db2.gz QSJQMOHNYGPULK-ZWKOTPCHSA-N 2 1 338.540 1.734 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)[C@@H]2CCC[C@H]21 ZINC000903234893 592146247 /nfs/dbraw/zinc/14/62/47/592146247.db2.gz QVYPLESILFGZHB-QUSNUVHPSA-N 2 1 343.537 1.557 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000903432616 592168956 /nfs/dbraw/zinc/16/89/56/592168956.db2.gz GZUYPDPYJCJNMF-WBVHZDCISA-N 2 1 333.451 1.758 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000903432616 592168957 /nfs/dbraw/zinc/16/89/57/592168957.db2.gz GZUYPDPYJCJNMF-WBVHZDCISA-N 2 1 333.451 1.758 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1CC[NH3+] ZINC000903498673 592179012 /nfs/dbraw/zinc/17/90/12/592179012.db2.gz AQBSAOYCWGINST-NXHRZFHOSA-N 3 1 332.492 1.322 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1C ZINC000903496268 592187610 /nfs/dbraw/zinc/18/76/10/592187610.db2.gz HPUXLISIMOEOIM-HUUCEWRRSA-N 2 1 332.448 1.868 20 0 EDADMP CC(C)(C)c1nc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)no1 ZINC000903510937 592190496 /nfs/dbraw/zinc/19/04/96/592190496.db2.gz VCKMPXDPIHIQBF-GASCZTMLSA-N 2 1 333.480 1.768 20 0 EDADMP CCCCc1noc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)n1 ZINC000903522404 592196755 /nfs/dbraw/zinc/19/67/55/592196755.db2.gz PFBVYQBSHBVYCJ-DYVFJYSZSA-N 2 1 335.452 1.149 20 0 EDADMP COc1cc2c(cc1OC)C1(CCC1)[N@H+](C[C@H]1CNCCO1)CC2 ZINC000903564205 592211450 /nfs/dbraw/zinc/21/14/50/592211450.db2.gz QGZYRKPGCCNYOG-OAHLLOKOSA-N 2 1 332.444 1.930 20 0 EDADMP COc1cc2c(cc1OC)C1(CCC1)[N@@H+](C[C@H]1CNCCO1)CC2 ZINC000903564205 592211451 /nfs/dbraw/zinc/21/14/51/592211451.db2.gz QGZYRKPGCCNYOG-OAHLLOKOSA-N 2 1 332.444 1.930 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906649249 592234093 /nfs/dbraw/zinc/23/40/93/592234093.db2.gz BDJHKDQTNRSCJJ-OAHLLOKOSA-N 2 1 332.448 1.419 20 0 EDADMP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000906651701 592235973 /nfs/dbraw/zinc/23/59/73/592235973.db2.gz UVMKNTUFUKVWOH-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH3+])CC[N@H+](C2CC2)C1 ZINC000906667160 592248833 /nfs/dbraw/zinc/24/88/33/592248833.db2.gz CVYOQKNIUKBWBX-ZDUSSCGKSA-N 2 1 330.432 1.027 20 0 EDADMP O=C(COc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCC1CC1 ZINC000904420377 592257599 /nfs/dbraw/zinc/25/75/99/592257599.db2.gz MNWIIYNVRUXYJJ-FUHWJXTLSA-N 2 1 343.471 1.633 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)CC[C@@H]21 ZINC000906680916 592261885 /nfs/dbraw/zinc/26/18/85/592261885.db2.gz RGJORXBINONALF-BBRMVZONSA-N 2 1 344.459 1.372 20 0 EDADMP C[NH+](C)Cc1cnc(CNCc2ccncc2O[C@H]2CC[NH2+]C2)s1 ZINC000904449218 592264064 /nfs/dbraw/zinc/26/40/64/592264064.db2.gz JVSPRIGMZBLQKR-AWEZNQCLSA-N 2 1 347.488 1.630 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901161829 592272252 /nfs/dbraw/zinc/27/22/52/592272252.db2.gz ILNXYMMTGWUOJS-ZKXLYKBJSA-N 2 1 335.492 1.713 20 0 EDADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000901170324 592274958 /nfs/dbraw/zinc/27/49/58/592274958.db2.gz AFKQLAIFHFBUTR-DKSSEZFCSA-N 2 1 346.475 1.178 20 0 EDADMP CCc1ccccc1NC(=O)C[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719090 592281601 /nfs/dbraw/zinc/28/16/01/592281601.db2.gz VFEXUWUPRWKODG-VQIMIIECSA-N 2 1 331.460 1.888 20 0 EDADMP CCc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719090 592281602 /nfs/dbraw/zinc/28/16/02/592281602.db2.gz VFEXUWUPRWKODG-VQIMIIECSA-N 2 1 331.460 1.888 20 0 EDADMP CCc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719089 592281907 /nfs/dbraw/zinc/28/19/07/592281907.db2.gz VFEXUWUPRWKODG-QFBILLFUSA-N 2 1 331.460 1.888 20 0 EDADMP CCc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719089 592281911 /nfs/dbraw/zinc/28/19/11/592281911.db2.gz VFEXUWUPRWKODG-QFBILLFUSA-N 2 1 331.460 1.888 20 0 EDADMP CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)CS(=O)(=O)CC ZINC000903730802 592287349 /nfs/dbraw/zinc/28/73/49/592287349.db2.gz ZJRXDCFVKWJQNK-LSDHHAIUSA-N 2 1 332.510 1.290 20 0 EDADMP CC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)CS(=O)(=O)CC ZINC000903730802 592287352 /nfs/dbraw/zinc/28/73/52/592287352.db2.gz ZJRXDCFVKWJQNK-LSDHHAIUSA-N 2 1 332.510 1.290 20 0 EDADMP c1ccc(N(CC[NH+]2CCOCC2)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903731987 592288537 /nfs/dbraw/zinc/28/85/37/592288537.db2.gz BMRCNKJQCVWAAU-VQTJNVASSA-N 2 1 345.487 1.594 20 0 EDADMP c1csc(N2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903738119 592300702 /nfs/dbraw/zinc/30/07/02/592300702.db2.gz XXQUAICTFDQLNZ-OAHLLOKOSA-N 2 1 336.505 1.814 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](C[C@H]3CCC[C@H](C(F)(F)F)O3)C2)nn1 ZINC000903760990 592307668 /nfs/dbraw/zinc/30/76/68/592307668.db2.gz MKXGYWUBFAADRY-MGPQQGTHSA-N 2 1 347.385 1.874 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)o1 ZINC000903790329 592316283 /nfs/dbraw/zinc/31/62/83/592316283.db2.gz CEPGGVXZSUOOSM-UHFFFAOYSA-N 2 1 343.493 1.727 20 0 EDADMP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903811059 592331202 /nfs/dbraw/zinc/33/12/02/592331202.db2.gz JBWQQQAFZJXPQQ-INIZCTEOSA-N 2 1 333.480 1.362 20 0 EDADMP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903811059 592331207 /nfs/dbraw/zinc/33/12/07/592331207.db2.gz JBWQQQAFZJXPQQ-INIZCTEOSA-N 2 1 333.480 1.362 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCN(Cc3ccsc3)CC1)C2 ZINC000903843301 592343372 /nfs/dbraw/zinc/34/33/72/592343372.db2.gz IALKQUWRAIMMPF-BBWFWOEESA-N 2 1 348.516 1.204 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCN(Cc3ccsc3)CC1)C2 ZINC000903843301 592343375 /nfs/dbraw/zinc/34/33/75/592343375.db2.gz IALKQUWRAIMMPF-BBWFWOEESA-N 2 1 348.516 1.204 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000903850486 592344889 /nfs/dbraw/zinc/34/48/89/592344889.db2.gz SAYSCPBRMVESMU-KKUMJFAQSA-N 2 1 327.428 1.874 20 0 EDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000903854308 592346325 /nfs/dbraw/zinc/34/63/25/592346325.db2.gz JDMARHBGMDSHEG-QAPCUYQASA-N 2 1 330.432 1.216 20 0 EDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000903854308 592346329 /nfs/dbraw/zinc/34/63/29/592346329.db2.gz JDMARHBGMDSHEG-QAPCUYQASA-N 2 1 330.432 1.216 20 0 EDADMP CCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903889642 592350951 /nfs/dbraw/zinc/35/09/51/592350951.db2.gz UUGZWUGSMRFVOT-CVEARBPZSA-N 2 1 335.496 1.084 20 0 EDADMP Cc1nc(C[C@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)no1 ZINC000903890698 592352543 /nfs/dbraw/zinc/35/25/43/592352543.db2.gz GNKDVHNEKVYFQY-CABCVRRESA-N 2 1 345.451 1.349 20 0 EDADMP Cc1nc(C[C@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)no1 ZINC000903890698 592352548 /nfs/dbraw/zinc/35/25/48/592352548.db2.gz GNKDVHNEKVYFQY-CABCVRRESA-N 2 1 345.451 1.349 20 0 EDADMP COc1cc(C[N@@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)ccc1O ZINC000903877904 592358842 /nfs/dbraw/zinc/35/88/42/592358842.db2.gz CVQUIVMCMTXJDH-HNNXBMFYSA-N 2 1 332.448 1.692 20 0 EDADMP [NH3+][C@H](CC(F)F)CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000903893812 592365776 /nfs/dbraw/zinc/36/57/76/592365776.db2.gz ZOPAMPOSDJGISF-HUUCEWRRSA-N 2 1 343.418 1.026 20 0 EDADMP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000903896980 592367446 /nfs/dbraw/zinc/36/74/46/592367446.db2.gz WPDYUVQAZUZPMU-WMZOPIPTSA-N 2 1 329.448 1.758 20 0 EDADMP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000903896980 592367449 /nfs/dbraw/zinc/36/74/49/592367449.db2.gz WPDYUVQAZUZPMU-WMZOPIPTSA-N 2 1 329.448 1.758 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000903899851 592371017 /nfs/dbraw/zinc/37/10/17/592371017.db2.gz XQVYPMCKTGLELB-GDBMZVCRSA-N 2 1 328.420 1.251 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000903899851 592371022 /nfs/dbraw/zinc/37/10/22/592371022.db2.gz XQVYPMCKTGLELB-GDBMZVCRSA-N 2 1 328.420 1.251 20 0 EDADMP C[NH+]1CCC2(CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000903934442 592386535 /nfs/dbraw/zinc/38/65/35/592386535.db2.gz HLIAIBBUFPTRHL-INIZCTEOSA-N 2 1 332.496 1.510 20 0 EDADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903947788 592394375 /nfs/dbraw/zinc/39/43/75/592394375.db2.gz HVNDFNLGYBEEGD-QGZVFWFLSA-N 3 1 334.512 1.901 20 0 EDADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903947788 592394379 /nfs/dbraw/zinc/39/43/79/592394379.db2.gz HVNDFNLGYBEEGD-QGZVFWFLSA-N 3 1 334.512 1.901 20 0 EDADMP CCN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cn1 ZINC000903977334 592399842 /nfs/dbraw/zinc/39/98/42/592399842.db2.gz PDTZRGWTHBKQNA-DAYGRLMNSA-N 2 1 332.448 1.250 20 0 EDADMP CC[NH+](CC)Cc1ccc(CNC(=O)C2CN(C)CC[N@@H+](C)C2)cc1 ZINC000905376043 592519459 /nfs/dbraw/zinc/51/94/59/592519459.db2.gz IOVYNFYYBPRNBY-UHFFFAOYSA-N 2 1 346.519 1.638 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)C2)[C@H]1C(C)C ZINC000905504038 592546724 /nfs/dbraw/zinc/54/67/24/592546724.db2.gz VUCFZZWWOOQGEJ-JARUQAPTSA-N 2 1 338.414 1.759 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000907397489 592626232 /nfs/dbraw/zinc/62/62/32/592626232.db2.gz BIZLHLFPDAIBTH-APWZRJJASA-N 2 1 344.503 1.117 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907397489 592626234 /nfs/dbraw/zinc/62/62/34/592626234.db2.gz BIZLHLFPDAIBTH-APWZRJJASA-N 2 1 344.503 1.117 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907397489 592626236 /nfs/dbraw/zinc/62/62/36/592626236.db2.gz BIZLHLFPDAIBTH-APWZRJJASA-N 2 1 344.503 1.117 20 0 EDADMP CCOC(=O)[C@@H]1CCCN(CC(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000909915003 592711570 /nfs/dbraw/zinc/71/15/70/592711570.db2.gz RETJDXBFJDYWEN-HZPDHXFCSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000909915003 592711573 /nfs/dbraw/zinc/71/15/73/592711573.db2.gz RETJDXBFJDYWEN-HZPDHXFCSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000909915003 592711576 /nfs/dbraw/zinc/71/15/76/592711576.db2.gz RETJDXBFJDYWEN-HZPDHXFCSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000909915003 592711580 /nfs/dbraw/zinc/71/15/80/592711580.db2.gz RETJDXBFJDYWEN-HZPDHXFCSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000909915003 592711584 /nfs/dbraw/zinc/71/15/84/592711584.db2.gz RETJDXBFJDYWEN-HZPDHXFCSA-N 2 1 339.480 1.110 20 0 EDADMP C[NH+](C)CCc1ccc(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000907635193 592735313 /nfs/dbraw/zinc/73/53/13/592735313.db2.gz NMAHHRMPPBALSO-LJQANCHMSA-N 2 1 333.476 1.254 20 0 EDADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906206621 592758875 /nfs/dbraw/zinc/75/88/75/592758875.db2.gz DTHNNUBKRYXAKC-IRXDYDNUSA-N 2 1 338.540 1.354 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000906440321 592818897 /nfs/dbraw/zinc/81/88/97/592818897.db2.gz DWNXUWDIEDAKSS-ZWKOTPCHSA-N 2 1 337.508 1.822 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)C1 ZINC000906440321 592818901 /nfs/dbraw/zinc/81/89/01/592818901.db2.gz DWNXUWDIEDAKSS-ZWKOTPCHSA-N 2 1 337.508 1.822 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)C1 ZINC000906440321 592818903 /nfs/dbraw/zinc/81/89/03/592818903.db2.gz DWNXUWDIEDAKSS-ZWKOTPCHSA-N 2 1 337.508 1.822 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000907921336 592846540 /nfs/dbraw/zinc/84/65/40/592846540.db2.gz KOYRQQVZNODCDQ-MRXNPFEDSA-N 2 1 346.475 1.861 20 0 EDADMP O=C(c1cnc(C2CC[NH2+]CC2)o1)N1CC[NH2+]Cc2ccccc21 ZINC000911763047 592999559 /nfs/dbraw/zinc/99/95/59/592999559.db2.gz FXOZVNFLDLPIDA-UHFFFAOYSA-N 2 1 326.400 1.892 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)N[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000911915098 593036474 /nfs/dbraw/zinc/03/64/74/593036474.db2.gz LUZLOZXJOUFBMR-HXUWFJFHSA-N 2 1 344.503 1.261 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000911915098 593036476 /nfs/dbraw/zinc/03/64/76/593036476.db2.gz LUZLOZXJOUFBMR-HXUWFJFHSA-N 2 1 344.503 1.261 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000911915098 593036478 /nfs/dbraw/zinc/03/64/78/593036478.db2.gz LUZLOZXJOUFBMR-HXUWFJFHSA-N 2 1 344.503 1.261 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806138157 593194658 /nfs/dbraw/zinc/19/46/58/593194658.db2.gz RVIWMOGUSOVHLO-TZMCWYRMSA-N 2 1 336.867 1.899 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806138157 593194661 /nfs/dbraw/zinc/19/46/61/593194661.db2.gz RVIWMOGUSOVHLO-TZMCWYRMSA-N 2 1 336.867 1.899 20 0 EDADMP COc1nc(C)cc(C)c1CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000808264128 593246022 /nfs/dbraw/zinc/24/60/22/593246022.db2.gz PVYWJWSSPVHCTO-OAHLLOKOSA-N 2 1 336.436 1.815 20 0 EDADMP COc1nc(C)cc(C)c1CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000808264128 593246023 /nfs/dbraw/zinc/24/60/23/593246023.db2.gz PVYWJWSSPVHCTO-OAHLLOKOSA-N 2 1 336.436 1.815 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000840818055 593264020 /nfs/dbraw/zinc/26/40/20/593264020.db2.gz NJGIAVRDLZWIKA-UHFFFAOYSA-N 2 1 340.537 1.190 20 0 EDADMP COc1cc2[nH+]ccc(N3CCC[N@H+](CC(N)=O)CC3)c2cc1OC ZINC000840247371 593493279 /nfs/dbraw/zinc/49/32/79/593493279.db2.gz BFPSZFRTJIBGPJ-UHFFFAOYSA-N 2 1 344.415 1.249 20 0 EDADMP COc1cc2[nH+]ccc(N3CCC[N@@H+](CC(N)=O)CC3)c2cc1OC ZINC000840247371 593493280 /nfs/dbraw/zinc/49/32/80/593493280.db2.gz BFPSZFRTJIBGPJ-UHFFFAOYSA-N 2 1 344.415 1.249 20 0 EDADMP CON(C)C(=O)CC[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000818953882 593730140 /nfs/dbraw/zinc/73/01/40/593730140.db2.gz RDBRIKNUXRCDJX-GOSISDBHSA-N 2 1 348.491 1.365 20 0 EDADMP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000823712974 593839559 /nfs/dbraw/zinc/83/95/59/593839559.db2.gz ATEJWRBDUYATBN-LBPRGKRZSA-N 2 1 336.465 1.255 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000823712974 593839562 /nfs/dbraw/zinc/83/95/62/593839562.db2.gz ATEJWRBDUYATBN-LBPRGKRZSA-N 2 1 336.465 1.255 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821624959 593885836 /nfs/dbraw/zinc/88/58/36/593885836.db2.gz BHAHLOXUAYJTIB-HOCLYGCPSA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821624959 593885838 /nfs/dbraw/zinc/88/58/38/593885838.db2.gz BHAHLOXUAYJTIB-HOCLYGCPSA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821624959 593885840 /nfs/dbraw/zinc/88/58/40/593885840.db2.gz BHAHLOXUAYJTIB-HOCLYGCPSA-N 2 1 342.447 1.662 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821625358 593887313 /nfs/dbraw/zinc/88/73/13/593887313.db2.gz LUTLKUYLGQPGDA-UHFFFAOYSA-N 2 1 335.481 1.045 20 0 EDADMP COCc1nc2n(n1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CC2 ZINC000820823815 593898415 /nfs/dbraw/zinc/89/84/15/593898415.db2.gz PKESPQMYSJWCGJ-WYQXTGKHSA-N 2 1 331.464 1.487 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821160789 593979280 /nfs/dbraw/zinc/97/92/80/593979280.db2.gz QFOAXTPPZHXSKT-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821160789 593979283 /nfs/dbraw/zinc/97/92/83/593979283.db2.gz QFOAXTPPZHXSKT-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821160789 593979284 /nfs/dbraw/zinc/97/92/84/593979284.db2.gz QFOAXTPPZHXSKT-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)ccn1 ZINC000824796402 594076102 /nfs/dbraw/zinc/07/61/02/594076102.db2.gz CDOISQFSCSPBSU-GOSISDBHSA-N 2 1 346.475 1.609 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000822887942 594117218 /nfs/dbraw/zinc/11/72/18/594117218.db2.gz SLQASSAILGHWGH-UHFFFAOYSA-N 2 1 343.471 1.584 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000822887942 594117220 /nfs/dbraw/zinc/11/72/20/594117220.db2.gz SLQASSAILGHWGH-UHFFFAOYSA-N 2 1 343.471 1.584 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2nccc3[nH]ccc32)CC1 ZINC000823299815 594182026 /nfs/dbraw/zinc/18/20/26/594182026.db2.gz GRHXQRZHPOHIRS-UHFFFAOYSA-N 2 1 336.399 1.962 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000825451119 594186801 /nfs/dbraw/zinc/18/68/01/594186801.db2.gz FWZIGKNQZVLOLD-BBRMVZONSA-N 2 1 330.436 1.565 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H](O)C1CC1 ZINC000829780565 594263053 /nfs/dbraw/zinc/26/30/53/594263053.db2.gz ZSYMIGAATUEARL-GOSISDBHSA-N 2 1 337.508 1.412 20 0 EDADMP CC[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000830344581 594379436 /nfs/dbraw/zinc/37/94/36/594379436.db2.gz WWAUFIPMXJPKET-KRWDZBQOSA-N 2 1 348.491 1.470 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccnn3C)CC2)CC1 ZINC000828915210 594529593 /nfs/dbraw/zinc/52/95/93/594529593.db2.gz NZWWXXDHVVLOII-OAHLLOKOSA-N 2 1 347.507 1.794 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000826667969 594550522 /nfs/dbraw/zinc/55/05/22/594550522.db2.gz RFJLJLFNTVATCM-QZTJIDSGSA-N 2 1 334.508 1.290 20 0 EDADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000826667969 594550523 /nfs/dbraw/zinc/55/05/23/594550523.db2.gz RFJLJLFNTVATCM-QZTJIDSGSA-N 2 1 334.508 1.290 20 0 EDADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000826667969 594550524 /nfs/dbraw/zinc/55/05/24/594550524.db2.gz RFJLJLFNTVATCM-QZTJIDSGSA-N 2 1 334.508 1.290 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000826685022 594554980 /nfs/dbraw/zinc/55/49/80/594554980.db2.gz DTWLRFPCCJAKMV-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCc4ccccc4C3)CC[C@H]21 ZINC000827277557 594658157 /nfs/dbraw/zinc/65/81/57/594658157.db2.gz MSMGNPPFRIJKPV-RBUKOAKNSA-N 2 1 327.472 1.987 20 0 EDADMP C[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+]3CCc4ccccc4C3)CC[C@H]21 ZINC000827277557 594658158 /nfs/dbraw/zinc/65/81/58/594658158.db2.gz MSMGNPPFRIJKPV-RBUKOAKNSA-N 2 1 327.472 1.987 20 0 EDADMP C[NH+]1CC[C@H]2CN(C(=O)CC[N@H+]3CCc4ccccc4C3)CC[C@H]21 ZINC000827277557 594658159 /nfs/dbraw/zinc/65/81/59/594658159.db2.gz MSMGNPPFRIJKPV-RBUKOAKNSA-N 2 1 327.472 1.987 20 0 EDADMP C[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841008309 594838582 /nfs/dbraw/zinc/83/85/82/594838582.db2.gz WTLCXTKAZBLGKJ-INIZCTEOSA-N 2 1 341.459 1.501 20 0 EDADMP C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841008309 594838584 /nfs/dbraw/zinc/83/85/84/594838584.db2.gz WTLCXTKAZBLGKJ-INIZCTEOSA-N 2 1 341.459 1.501 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000841386213 594890989 /nfs/dbraw/zinc/89/09/89/594890989.db2.gz IJWQKLSGXHARFH-RTBURBONSA-N 2 1 343.471 1.414 20 0 EDADMP O=C(CC[NH+]1CCc2ccccc2C1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841386213 594890991 /nfs/dbraw/zinc/89/09/91/594890991.db2.gz IJWQKLSGXHARFH-RTBURBONSA-N 2 1 343.471 1.414 20 0 EDADMP O=C(CC[NH+]1CCc2ccccc2C1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000841386213 594890993 /nfs/dbraw/zinc/89/09/93/594890993.db2.gz IJWQKLSGXHARFH-RTBURBONSA-N 2 1 343.471 1.414 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000836250155 594943364 /nfs/dbraw/zinc/94/33/64/594943364.db2.gz ZLFHOWSQYKOSNP-CVEARBPZSA-N 2 1 340.431 1.421 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000836250155 594943366 /nfs/dbraw/zinc/94/33/66/594943366.db2.gz ZLFHOWSQYKOSNP-CVEARBPZSA-N 2 1 340.431 1.421 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000841726927 594944160 /nfs/dbraw/zinc/94/41/60/594944160.db2.gz ODRYHQUWLARJKN-ZDUSSCGKSA-N 2 1 330.436 1.892 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000843334096 595077929 /nfs/dbraw/zinc/07/79/29/595077929.db2.gz FSTKVUQYNKTAKO-QLFBSQMISA-N 2 1 345.443 1.874 20 0 EDADMP C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)C1CCC([NH3+])CC1 ZINC000843353797 595084733 /nfs/dbraw/zinc/08/47/33/595084733.db2.gz KFHRBEXXETVDGX-UHFFFAOYSA-N 2 1 333.432 1.988 20 0 EDADMP C[N@@H+](CC(=O)NCCCN1CCCCCC1=O)C1CCC([NH3+])CC1 ZINC000843354712 595085504 /nfs/dbraw/zinc/08/55/04/595085504.db2.gz DJJPQUUWQZSUJN-UHFFFAOYSA-N 2 1 338.496 1.097 20 0 EDADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2ccc(O)cc2)CC1 ZINC000842479218 595115789 /nfs/dbraw/zinc/11/57/89/595115789.db2.gz QPCCOVFYVLCUCT-FUHWJXTLSA-N 2 1 333.432 1.549 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843489508 595128102 /nfs/dbraw/zinc/12/81/02/595128102.db2.gz GCBFNWNBKOAQIS-NXHRZFHOSA-N 2 1 331.460 1.392 20 0 EDADMP COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000844019757 595245249 /nfs/dbraw/zinc/24/52/49/595245249.db2.gz PSIIETQAZMGJEV-BPKGMFCQSA-N 2 1 325.497 1.815 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000844019757 595245253 /nfs/dbraw/zinc/24/52/53/595245253.db2.gz PSIIETQAZMGJEV-BPKGMFCQSA-N 2 1 325.497 1.815 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000844019757 595245255 /nfs/dbraw/zinc/24/52/55/595245255.db2.gz PSIIETQAZMGJEV-BPKGMFCQSA-N 2 1 325.497 1.815 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000844019757 595245257 /nfs/dbraw/zinc/24/52/57/595245257.db2.gz PSIIETQAZMGJEV-BPKGMFCQSA-N 2 1 325.497 1.815 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cnc1Cl ZINC000843046793 595273198 /nfs/dbraw/zinc/27/31/98/595273198.db2.gz CMTSIEXAIGNCIP-HNNXBMFYSA-N 2 1 336.867 1.687 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1)[C@@H]1CCC[NH2+]1 ZINC000843057059 595276452 /nfs/dbraw/zinc/27/64/52/595276452.db2.gz FWUVIICZEJKYSK-LPHOPBHVSA-N 2 1 343.471 1.797 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1C)C2 ZINC000843111142 595289035 /nfs/dbraw/zinc/28/90/35/595289035.db2.gz DKZBWCXGMOIBHS-BEFAXECRSA-N 2 1 347.434 1.812 20 0 EDADMP C[C@@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000844189703 595297612 /nfs/dbraw/zinc/29/76/12/595297612.db2.gz SJSBFGXHKYFBON-MJGOQNOKSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC000848548780 595404455 /nfs/dbraw/zinc/40/44/55/595404455.db2.gz FQUBTPGQYZLPDY-ZFWWWQNUSA-N 2 1 327.469 1.743 20 0 EDADMP CN(C)Cc1cnc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000844903165 595411137 /nfs/dbraw/zinc/41/11/37/595411137.db2.gz UCMDECDEKMESDG-DZKIICNBSA-N 2 1 338.521 1.923 20 0 EDADMP CN(C)Cc1cnc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000844903165 595411139 /nfs/dbraw/zinc/41/11/39/595411139.db2.gz UCMDECDEKMESDG-DZKIICNBSA-N 2 1 338.521 1.923 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000847406180 595412339 /nfs/dbraw/zinc/41/23/39/595412339.db2.gz BKESPEGAQXDYJQ-IPMKNSEASA-N 2 1 343.471 1.488 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000847406180 595412341 /nfs/dbraw/zinc/41/23/41/595412341.db2.gz BKESPEGAQXDYJQ-IPMKNSEASA-N 2 1 343.471 1.488 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000847406180 595412342 /nfs/dbraw/zinc/41/23/42/595412342.db2.gz BKESPEGAQXDYJQ-IPMKNSEASA-N 2 1 343.471 1.488 20 0 EDADMP CC(C)Oc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000849058658 595476747 /nfs/dbraw/zinc/47/67/47/595476747.db2.gz JZLBFNYDOZCCTC-UHFFFAOYSA-N 2 1 334.464 1.810 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849495931 595550289 /nfs/dbraw/zinc/55/02/89/595550289.db2.gz GXQHVZKTDQSJOE-HYVNUMGLSA-N 2 1 335.496 1.300 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849567935 595572838 /nfs/dbraw/zinc/57/28/38/595572838.db2.gz KVEMXNDHPPPFCJ-HDEZJCGLSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849567935 595572841 /nfs/dbraw/zinc/57/28/41/595572841.db2.gz KVEMXNDHPPPFCJ-HDEZJCGLSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849567935 595572846 /nfs/dbraw/zinc/57/28/46/595572846.db2.gz KVEMXNDHPPPFCJ-HDEZJCGLSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849597254 595586547 /nfs/dbraw/zinc/58/65/47/595586547.db2.gz RQVFSHNTLAEKNR-MXASKKJJSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C3=NO[C@H](C[NH3+])C3)c2)C[C@@H](C)O1 ZINC000852870487 595590163 /nfs/dbraw/zinc/59/01/63/595590163.db2.gz CSEXPVZYSRIUSA-IOASZLSFSA-N 2 1 346.431 1.338 20 0 EDADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)c1ccccn1 ZINC000853110219 595667159 /nfs/dbraw/zinc/66/71/59/595667159.db2.gz XDGZQWSHJVCEDV-QUCCMNQESA-N 2 1 341.455 1.862 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)C1CC1 ZINC000853123227 595672674 /nfs/dbraw/zinc/67/26/74/595672674.db2.gz NQZZPKOGFYJSRO-DBQDNQAGSA-N 2 1 339.480 1.431 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)C1CC1 ZINC000853123227 595672677 /nfs/dbraw/zinc/67/26/77/595672677.db2.gz NQZZPKOGFYJSRO-DBQDNQAGSA-N 2 1 339.480 1.431 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2ccccc2oc1=O ZINC000855345966 595680234 /nfs/dbraw/zinc/68/02/34/595680234.db2.gz LHJGQMNTLDUCRC-AWEZNQCLSA-N 2 1 345.443 1.795 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2ccccc2oc1=O ZINC000855345966 595680236 /nfs/dbraw/zinc/68/02/36/595680236.db2.gz LHJGQMNTLDUCRC-AWEZNQCLSA-N 2 1 345.443 1.795 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CSCCS1 ZINC000855346066 595680851 /nfs/dbraw/zinc/68/08/51/595680851.db2.gz NEWXTKNLEVPHKT-KBPBESRZSA-N 2 1 333.567 1.613 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CSCCS1 ZINC000855346066 595680853 /nfs/dbraw/zinc/68/08/53/595680853.db2.gz NEWXTKNLEVPHKT-KBPBESRZSA-N 2 1 333.567 1.613 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000858525904 595818792 /nfs/dbraw/zinc/81/87/92/595818792.db2.gz NVYOQAZOAGMPLM-XHSDSOJGSA-N 2 1 341.496 1.942 20 0 EDADMP COCC[N@H+]1CCC[C@H]1COC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000861037873 595873427 /nfs/dbraw/zinc/87/34/27/595873427.db2.gz NJCSANGNCMIITP-YOEHRIQHSA-N 2 1 330.444 1.853 20 0 EDADMP COCC[NH+]1CCC[C@H]1COC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000861037873 595873428 /nfs/dbraw/zinc/87/34/28/595873428.db2.gz NJCSANGNCMIITP-YOEHRIQHSA-N 2 1 330.444 1.853 20 0 EDADMP COCC[NH+]1CCC[C@H]1COC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000861037873 595873429 /nfs/dbraw/zinc/87/34/29/595873429.db2.gz NJCSANGNCMIITP-YOEHRIQHSA-N 2 1 330.444 1.853 20 0 EDADMP CC[C@H]([NH2+]C)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000854146743 595989335 /nfs/dbraw/zinc/98/93/35/595989335.db2.gz ZOIXGPMSERFSNZ-AWEZNQCLSA-N 2 1 330.436 1.944 20 0 EDADMP C[NH+](C)CCOCCNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857171233 596174856 /nfs/dbraw/zinc/17/48/56/596174856.db2.gz WGMXTEUANWJHBR-SFHVURJKSA-N 2 1 333.476 1.804 20 0 EDADMP c1c(C[NH2+][C@H]2CCCc3ccccc32)nnn1C[C@@H]1C[NH2+]CCO1 ZINC000864650606 596297260 /nfs/dbraw/zinc/29/72/60/596297260.db2.gz DUMALGGRAAFQPX-WMZOPIPTSA-N 2 1 327.432 1.434 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000866714867 596306797 /nfs/dbraw/zinc/30/67/97/596306797.db2.gz ZFKRAZOLFLIZAN-ZACQAIPSSA-N 2 1 333.407 1.625 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870867747 596383335 /nfs/dbraw/zinc/38/33/35/596383335.db2.gz KYUYEVARISVMTH-ZIAGYGMSSA-N 2 1 334.489 1.967 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)c2)CCO1 ZINC000870873344 596385668 /nfs/dbraw/zinc/38/56/68/596385668.db2.gz BOMYJJHOXAWRHB-MKNHVETJSA-N 2 1 343.471 1.651 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)c2)CCO1 ZINC000870873344 596385670 /nfs/dbraw/zinc/38/56/70/596385670.db2.gz BOMYJJHOXAWRHB-MKNHVETJSA-N 2 1 343.471 1.651 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870924444 596408055 /nfs/dbraw/zinc/40/80/55/596408055.db2.gz YMQXLBKKVCTSKP-USTZCAOPSA-N 2 1 336.524 1.521 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000870973157 596422924 /nfs/dbraw/zinc/42/29/24/596422924.db2.gz LCKNKCIDKSJRFS-ACHSLPGTSA-N 2 1 345.491 1.279 20 0 EDADMP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2C)CCO1 ZINC000871285932 596525147 /nfs/dbraw/zinc/52/51/47/596525147.db2.gz XCKAZCBSVKRGGR-SFHVURJKSA-N 2 1 333.476 1.654 20 0 EDADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2C)CCO1 ZINC000871285932 596525150 /nfs/dbraw/zinc/52/51/50/596525150.db2.gz XCKAZCBSVKRGGR-SFHVURJKSA-N 2 1 333.476 1.654 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000871285932 596525151 /nfs/dbraw/zinc/52/51/51/596525151.db2.gz XCKAZCBSVKRGGR-SFHVURJKSA-N 2 1 333.476 1.654 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000871285932 596525153 /nfs/dbraw/zinc/52/51/53/596525153.db2.gz XCKAZCBSVKRGGR-SFHVURJKSA-N 2 1 333.476 1.654 20 0 EDADMP C[NH+](C)C1(C)CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000865260766 596526744 /nfs/dbraw/zinc/52/67/44/596526744.db2.gz HYNWMHIEHINFJX-UHFFFAOYSA-N 2 1 342.553 1.436 20 0 EDADMP Cn1ncc2cc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cnc21 ZINC000865496346 596591457 /nfs/dbraw/zinc/59/14/57/596591457.db2.gz VIQSXBZUXXCXNG-IRXDYDNUSA-N 2 1 329.448 1.436 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccnc(N4CCCC4)c3)CC[C@@H]21 ZINC000868023143 596658972 /nfs/dbraw/zinc/65/89/72/596658972.db2.gz CMXBEJYEEAMBDC-SJORKVTESA-N 2 1 343.475 1.917 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1(C)C ZINC000865746874 596668672 /nfs/dbraw/zinc/66/86/72/596668672.db2.gz QJHJWOQZTZSKFB-ZNMIVQPWSA-N 2 1 341.496 1.819 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000868185965 596715455 /nfs/dbraw/zinc/71/54/55/596715455.db2.gz DSNCFENYAFVQSC-LUKYLMHMSA-N 2 1 330.432 1.486 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000868227180 596735643 /nfs/dbraw/zinc/73/56/43/596735643.db2.gz VTGUXZXGNMJSJC-LUKYLMHMSA-N 2 1 342.443 1.183 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)C1)N1CC[NH2+]CC1 ZINC000872142394 596808873 /nfs/dbraw/zinc/80/88/73/596808873.db2.gz SREMTFFDPKBMMR-GFCCVEGCSA-N 2 1 345.365 1.942 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)C1)N1CC[NH2+]CC1 ZINC000872142394 596808876 /nfs/dbraw/zinc/80/88/76/596808876.db2.gz SREMTFFDPKBMMR-GFCCVEGCSA-N 2 1 345.365 1.942 20 0 EDADMP CC(C)(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000872144079 596809497 /nfs/dbraw/zinc/80/94/97/596809497.db2.gz BQGJIIVXYFYASG-HRCADAONSA-N 2 1 346.537 1.808 20 0 EDADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1)C1CCCC1 ZINC000872157044 596816067 /nfs/dbraw/zinc/81/60/67/596816067.db2.gz NERNRQFSGHSAQL-CJNGLKHVSA-N 2 1 336.480 1.594 20 0 EDADMP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+])CC1 ZINC000872158511 596817067 /nfs/dbraw/zinc/81/70/67/596817067.db2.gz VZIXTBOLGHRGTM-HNNXBMFYSA-N 2 1 342.484 1.127 20 0 EDADMP COCCCNC(=O)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158498 596817154 /nfs/dbraw/zinc/81/71/54/596817154.db2.gz VRSLZMLRBRPRTK-NVXWUHKLSA-N 2 1 325.497 1.759 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000872199640 596832098 /nfs/dbraw/zinc/83/20/98/596832098.db2.gz QYQAJLKRECGPLY-SJLPKXTDSA-N 2 1 330.432 1.577 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000875712500 596956587 /nfs/dbraw/zinc/95/65/87/596956587.db2.gz FLTSNCBBSKIEQH-QAETUUGQSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000875712500 596956591 /nfs/dbraw/zinc/95/65/91/596956591.db2.gz FLTSNCBBSKIEQH-QAETUUGQSA-N 2 1 340.512 1.515 20 0 EDADMP Cn1ccnc1CN1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873204201 597226316 /nfs/dbraw/zinc/22/63/16/597226316.db2.gz AIOLYXRTHGJBCH-UHFFFAOYSA-N 2 1 331.489 1.445 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000876521527 597229291 /nfs/dbraw/zinc/22/92/91/597229291.db2.gz XVKYNKIALPIQHF-INIZCTEOSA-N 2 1 342.399 1.739 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)[C@H]2CCC[C@@H]21 ZINC000873245344 597238131 /nfs/dbraw/zinc/23/81/31/597238131.db2.gz ZFHLTVZCUYETCF-QYZOEREBSA-N 3 1 340.475 1.688 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000876762815 597328318 /nfs/dbraw/zinc/32/83/18/597328318.db2.gz HCHLDTGDKQPJAF-CJNGLKHVSA-N 2 1 325.478 1.496 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000876762815 597328322 /nfs/dbraw/zinc/32/83/22/597328322.db2.gz HCHLDTGDKQPJAF-CJNGLKHVSA-N 2 1 325.478 1.496 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000876762815 597328326 /nfs/dbraw/zinc/32/83/26/597328326.db2.gz HCHLDTGDKQPJAF-CJNGLKHVSA-N 2 1 325.478 1.496 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000876762815 597328329 /nfs/dbraw/zinc/32/83/29/597328329.db2.gz HCHLDTGDKQPJAF-CJNGLKHVSA-N 2 1 325.478 1.496 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000876808610 597347382 /nfs/dbraw/zinc/34/73/82/597347382.db2.gz TWPADOJWWXMJDB-QZTJIDSGSA-N 2 1 343.471 1.475 20 0 EDADMP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1)C(C)(C)C[NH+](C)C ZINC000875273310 597363164 /nfs/dbraw/zinc/36/31/64/597363164.db2.gz MQPMMRDEFOERRG-CQSZACIVSA-N 2 1 340.512 1.022 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875336478 597389906 /nfs/dbraw/zinc/38/99/06/597389906.db2.gz SXTLXSNBFGPOOJ-IAGOWNOFSA-N 3 1 341.544 1.099 20 0 EDADMP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)C(C)(C)C[NH+](C)C ZINC000875359886 597399250 /nfs/dbraw/zinc/39/92/50/597399250.db2.gz CLTGFGULBIGQDW-KGLIPLIRSA-N 2 1 328.501 1.107 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000877231754 597470496 /nfs/dbraw/zinc/47/04/96/597470496.db2.gz SJXDBVSOMHWNBI-LJQANCHMSA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000877231754 597470497 /nfs/dbraw/zinc/47/04/97/597470497.db2.gz SJXDBVSOMHWNBI-LJQANCHMSA-N 2 1 345.487 1.702 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877346809 597497517 /nfs/dbraw/zinc/49/75/17/597497517.db2.gz IHWJUZRHTOUVJI-YJBOKZPZSA-N 2 1 325.412 1.526 20 0 EDADMP C[NH+]1CCC(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000878286060 597592639 /nfs/dbraw/zinc/59/26/39/597592639.db2.gz JYGHUSSRMHIVSL-CRAIPNDOSA-N 2 1 334.508 1.146 20 0 EDADMP Cn1nnnc1CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000878322231 597595277 /nfs/dbraw/zinc/59/52/77/597595277.db2.gz HGZDXJFLPVBRTF-UHFFFAOYSA-N 2 1 340.475 1.741 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@@H](O)c3cccc(Cl)c3)nn2)CC1 ZINC000881415306 597608927 /nfs/dbraw/zinc/60/89/27/597608927.db2.gz LTQDXSXQBKYPFI-QGZVFWFLSA-N 2 1 349.866 1.631 20 0 EDADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000130780444 597624930 /nfs/dbraw/zinc/62/49/30/597624930.db2.gz XUZJWKRPYKYILR-GJZGRUSLSA-N 2 1 336.480 1.861 20 0 EDADMP C[C@@H]1CN(CC(=O)NC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000878711984 597687454 /nfs/dbraw/zinc/68/74/54/597687454.db2.gz OZQFWMPNAWVORD-QGZVFWFLSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000883225857 597688979 /nfs/dbraw/zinc/68/89/79/597688979.db2.gz NZSRBNWWTGQMQK-INIZCTEOSA-N 2 1 342.528 1.859 20 0 EDADMP CC(C)C[N@H+](Cc1nnc2c(=O)[nH]ccn12)CC1CC[NH+](C)CC1 ZINC000879705151 597696006 /nfs/dbraw/zinc/69/60/06/597696006.db2.gz LYNCFRBYMWVSMH-UHFFFAOYSA-N 2 1 332.452 1.217 20 0 EDADMP CC1(C)C[C@H](C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C(C)(C)O1 ZINC000883415957 597739346 /nfs/dbraw/zinc/73/93/46/597739346.db2.gz IPXUTBLGVNVNQE-HZPDHXFCSA-N 2 1 337.508 1.724 20 0 EDADMP CC1(C)C[C@H](C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C(C)(C)O1 ZINC000883426881 597742981 /nfs/dbraw/zinc/74/29/81/597742981.db2.gz CDAYRPCUHBKYLH-CABCVRRESA-N 2 1 325.497 1.900 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000878887825 597747035 /nfs/dbraw/zinc/74/70/35/597747035.db2.gz XGJRJWRUSIFDNK-OAHLLOKOSA-N 2 1 334.468 1.674 20 0 EDADMP [NH3+][C@@H]1CCN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883586426 597815406 /nfs/dbraw/zinc/81/54/06/597815406.db2.gz LIRHZAHTOIXTJE-RHSMWYFYSA-N 2 1 329.448 1.536 20 0 EDADMP COCC[N@H+](CC(=O)N1CCC[C@H](C)C1)CC1CC[NH+](C)CC1 ZINC000879123634 597826338 /nfs/dbraw/zinc/82/63/38/597826338.db2.gz XYMNKLQABAJXFN-INIZCTEOSA-N 2 1 325.497 1.535 20 0 EDADMP COCC[N@@H+](C[C@@H](O)CC1(O)CCCCC1)CC1CC[NH+](C)CC1 ZINC000879127594 597827386 /nfs/dbraw/zinc/82/73/86/597827386.db2.gz ZCGKPFLCGMZPMD-SFHVURJKSA-N 2 1 342.524 1.723 20 0 EDADMP Cc1nccnc1[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000880108870 597843948 /nfs/dbraw/zinc/84/39/48/597843948.db2.gz KMAPMOUWMXOZQT-RDJZCZTQSA-N 2 1 341.459 1.855 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000882494101 597976878 /nfs/dbraw/zinc/97/68/78/597976878.db2.gz GYLXGSCLSSKOJC-FGTMMUONSA-N 2 1 347.507 1.444 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000882494101 597976880 /nfs/dbraw/zinc/97/68/80/597976880.db2.gz GYLXGSCLSSKOJC-FGTMMUONSA-N 2 1 347.507 1.444 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000882494101 597976882 /nfs/dbraw/zinc/97/68/82/597976882.db2.gz GYLXGSCLSSKOJC-FGTMMUONSA-N 2 1 347.507 1.444 20 0 EDADMP C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000133891397 598015749 /nfs/dbraw/zinc/01/57/49/598015749.db2.gz QIOSRJMPZUIDJQ-ZFWWWQNUSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133891397 598015751 /nfs/dbraw/zinc/01/57/51/598015751.db2.gz QIOSRJMPZUIDJQ-ZFWWWQNUSA-N 2 1 326.485 1.268 20 0 EDADMP C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884251819 598043565 /nfs/dbraw/zinc/04/35/65/598043565.db2.gz SVKHVWJWBBSMOQ-CYBMUJFWSA-N 2 1 326.238 1.613 20 0 EDADMP C[N@H+]1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884251819 598043568 /nfs/dbraw/zinc/04/35/68/598043568.db2.gz SVKHVWJWBBSMOQ-CYBMUJFWSA-N 2 1 326.238 1.613 20 0 EDADMP [NH3+][C@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1C(F)(F)F ZINC000884292668 598057643 /nfs/dbraw/zinc/05/76/43/598057643.db2.gz IGFUXOYQTFYSSZ-OLZOCXBDSA-N 2 1 327.350 1.964 20 0 EDADMP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000884466473 598113485 /nfs/dbraw/zinc/11/34/85/598113485.db2.gz ACDHQTIKYXAKQC-OALUTQOASA-N 2 1 347.503 1.946 20 0 EDADMP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000884466473 598113487 /nfs/dbraw/zinc/11/34/87/598113487.db2.gz ACDHQTIKYXAKQC-OALUTQOASA-N 2 1 347.503 1.946 20 0 EDADMP CC[NH+](CC)CCOc1ccc(CNC(=O)NC[C@@H]2CC[N@H+]2C)cc1 ZINC000914058043 695046462 /nfs/dbraw/zinc/04/64/62/695046462.db2.gz JRDNRYVVICWRIX-KRWDZBQOSA-N 2 1 348.491 1.911 20 0 EDADMP CC1CC[NH+](CCNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000914075922 695071245 /nfs/dbraw/zinc/07/12/45/695071245.db2.gz LIJATNFRZGZPCY-KRWDZBQOSA-N 2 1 338.496 1.271 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000915135236 695747830 /nfs/dbraw/zinc/74/78/30/695747830.db2.gz HGXRVIGQZYJNEF-PMPSAXMXSA-N 2 1 340.537 1.596 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000915135236 695747833 /nfs/dbraw/zinc/74/78/33/695747833.db2.gz HGXRVIGQZYJNEF-PMPSAXMXSA-N 2 1 340.537 1.596 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000915135236 695747835 /nfs/dbraw/zinc/74/78/35/695747835.db2.gz HGXRVIGQZYJNEF-PMPSAXMXSA-N 2 1 340.537 1.596 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001031235004 695928735 /nfs/dbraw/zinc/92/87/35/695928735.db2.gz LKJMQKVRHVXLKA-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001031235004 695928737 /nfs/dbraw/zinc/92/87/37/695928737.db2.gz LKJMQKVRHVXLKA-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1[C@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@@H+]1CCCO ZINC000993399489 696049322 /nfs/dbraw/zinc/04/93/22/696049322.db2.gz UDUBKIZPZUJVOU-DZGCQCFKSA-N 2 1 339.505 1.775 20 0 EDADMP C[C@H]1[C@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@H+]1CCCO ZINC000993399489 696049326 /nfs/dbraw/zinc/04/93/26/696049326.db2.gz UDUBKIZPZUJVOU-DZGCQCFKSA-N 2 1 339.505 1.775 20 0 EDADMP Cc1ncoc1C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994257079 696664734 /nfs/dbraw/zinc/66/47/34/696664734.db2.gz SMBPGBONJFSAFZ-LSDHHAIUSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994257079 696664735 /nfs/dbraw/zinc/66/47/35/696664735.db2.gz SMBPGBONJFSAFZ-LSDHHAIUSA-N 2 1 332.448 1.548 20 0 EDADMP CO[C@@H](Cc1ccccc1)CN1CC(NC(=O)CN2CCCC2)C1 ZINC001031389276 697009803 /nfs/dbraw/zinc/00/98/03/697009803.db2.gz JQNZIOGBEJHCHW-SFHVURJKSA-N 2 1 331.460 1.140 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC000917632607 697055569 /nfs/dbraw/zinc/05/55/69/697055569.db2.gz DDVJVGIGHSQSSQ-KBMXLJTQSA-N 2 1 346.479 1.454 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC000917632607 697055570 /nfs/dbraw/zinc/05/55/70/697055570.db2.gz DDVJVGIGHSQSSQ-KBMXLJTQSA-N 2 1 346.479 1.454 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CN(CC3CCC(F)(F)CC3)C2)C1 ZINC001031418242 697068144 /nfs/dbraw/zinc/06/81/44/697068144.db2.gz JKCVCNRNUMZKNG-HNNXBMFYSA-N 2 1 345.434 1.333 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CN(CC3CCC(F)(F)CC3)C2)C1 ZINC001031418242 697068146 /nfs/dbraw/zinc/06/81/46/697068146.db2.gz JKCVCNRNUMZKNG-HNNXBMFYSA-N 2 1 345.434 1.333 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC001031585168 697280955 /nfs/dbraw/zinc/28/09/55/697280955.db2.gz RDGSAETWICNQDE-CABCVRRESA-N 2 1 329.435 1.954 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000924021142 697288234 /nfs/dbraw/zinc/28/82/34/697288234.db2.gz KJMSDTYWALIAPV-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP Cc1ccccc1[C@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031595368 697293442 /nfs/dbraw/zinc/29/34/42/697293442.db2.gz VNSYDNIQQLJNAV-MAUKXSAKSA-N 2 1 331.460 1.435 20 0 EDADMP Cc1ccccc1[C@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031595368 697293443 /nfs/dbraw/zinc/29/34/43/697293443.db2.gz VNSYDNIQQLJNAV-MAUKXSAKSA-N 2 1 331.460 1.435 20 0 EDADMP C[NH+]1CCC(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC000920311795 697421914 /nfs/dbraw/zinc/42/19/14/697421914.db2.gz DJTDIZNSOWYQBD-UHFFFAOYSA-N 3 1 348.520 1.214 20 0 EDADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1)[NH+]1CC[C@@H](C(F)F)C1 ZINC000930126561 697423128 /nfs/dbraw/zinc/42/31/28/697423128.db2.gz KKLJGFLISONFNV-IJLUTSLNSA-N 2 1 339.377 1.665 20 0 EDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C(F)F)C1)[NH+]1CC[C@@H](C(F)F)C1 ZINC000930126561 697423130 /nfs/dbraw/zinc/42/31/30/697423130.db2.gz KKLJGFLISONFNV-IJLUTSLNSA-N 2 1 339.377 1.665 20 0 EDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C(F)F)C1)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000930126561 697423131 /nfs/dbraw/zinc/42/31/31/697423131.db2.gz KKLJGFLISONFNV-IJLUTSLNSA-N 2 1 339.377 1.665 20 0 EDADMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C(F)F)C1)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000930126561 697423134 /nfs/dbraw/zinc/42/31/34/697423134.db2.gz KKLJGFLISONFNV-IJLUTSLNSA-N 2 1 339.377 1.665 20 0 EDADMP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)sn1 ZINC001031669915 697465766 /nfs/dbraw/zinc/46/57/66/697465766.db2.gz XWIATOGZICPEPM-HOTGVXAUSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)sn1 ZINC001031669915 697465768 /nfs/dbraw/zinc/46/57/68/697465768.db2.gz XWIATOGZICPEPM-HOTGVXAUSA-N 2 1 348.516 1.874 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccsc2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688721 697526862 /nfs/dbraw/zinc/52/68/62/697526862.db2.gz KKLJAJYTPLTRHP-HOTGVXAUSA-N 2 1 335.473 1.159 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cncs2)C1 ZINC000995034170 700159275 /nfs/dbraw/zinc/15/92/75/700159275.db2.gz DBBNYYQMFNFPTK-KBPBESRZSA-N 2 1 333.461 1.723 20 0 EDADMP CC[N@H+]1C[C@H](C)[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000921407239 697595175 /nfs/dbraw/zinc/59/51/75/697595175.db2.gz XGGHDIIUXBNWBE-YJNKXOJESA-N 2 1 326.510 1.206 20 0 EDADMP CC[NH+]1C[C@H](C)[C@H](NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000921407239 697595177 /nfs/dbraw/zinc/59/51/77/697595177.db2.gz XGGHDIIUXBNWBE-YJNKXOJESA-N 2 1 326.510 1.206 20 0 EDADMP CC[NH+]1C[C@H](C)[C@H](NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000921407239 697595178 /nfs/dbraw/zinc/59/51/78/697595178.db2.gz XGGHDIIUXBNWBE-YJNKXOJESA-N 2 1 326.510 1.206 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943337270 698154912 /nfs/dbraw/zinc/15/49/12/698154912.db2.gz YKXMXILSCHDRJJ-QAPCUYQASA-N 2 1 347.507 1.479 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766753 699066174 /nfs/dbraw/zinc/06/61/74/699066174.db2.gz MVPNLWQNJMCXKE-RTBURBONSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766753 699066179 /nfs/dbraw/zinc/06/61/79/699066179.db2.gz MVPNLWQNJMCXKE-RTBURBONSA-N 2 1 342.487 1.955 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)[C@@H](C)C2)CC1 ZINC000947882371 699086161 /nfs/dbraw/zinc/08/61/61/699086161.db2.gz RKVBPKWIMPBROD-RDJZCZTQSA-N 2 1 325.497 1.458 20 0 EDADMP Cc1nc(CN2CC(CNC(=O)[C@H]3CCCCN3C)C2)sc1C ZINC001031776275 699153586 /nfs/dbraw/zinc/15/35/86/699153586.db2.gz HMQQRAYGYWJGPC-OAHLLOKOSA-N 2 1 336.505 1.792 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)NCC2C[NH+](CCC3CCCC3)C2)no1 ZINC001031800123 699316165 /nfs/dbraw/zinc/31/61/65/699316165.db2.gz STRSKOFEIQNRJV-UHFFFAOYSA-N 2 1 334.464 1.978 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)NCC2C[NH+](CC3CCCCC3)C2)no1 ZINC001031800060 699331577 /nfs/dbraw/zinc/33/15/77/699331577.db2.gz QAVUVDBSORNRPY-UHFFFAOYSA-N 2 1 334.464 1.978 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001031802440 699364011 /nfs/dbraw/zinc/36/40/11/699364011.db2.gz QRNOHHGPIYOWHJ-FUHWJXTLSA-N 2 1 337.508 1.581 20 0 EDADMP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cscn1 ZINC000939247209 699417541 /nfs/dbraw/zinc/41/75/41/699417541.db2.gz OFCLZIRUDCZSAP-CZUORRHYSA-N 2 1 336.505 1.812 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001031806649 699431325 /nfs/dbraw/zinc/43/13/25/699431325.db2.gz JFRGYXNMFPRBGH-ROUUACIJSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)nc1 ZINC000939395984 699545949 /nfs/dbraw/zinc/54/59/49/699545949.db2.gz IKIDTLLEFSKOIM-SJORKVTESA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)n1 ZINC000939398854 699548005 /nfs/dbraw/zinc/54/80/05/699548005.db2.gz RVLOFCBUPUYEHN-WBVHZDCISA-N 2 1 345.491 1.453 20 0 EDADMP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)s1 ZINC000939544570 699686080 /nfs/dbraw/zinc/68/60/80/699686080.db2.gz KUVJOSWCGWDLQA-QWHCGFSZSA-N 2 1 349.504 1.133 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)oc1C ZINC000939544611 699686340 /nfs/dbraw/zinc/68/63/40/699686340.db2.gz LKBDJGRYBANCGY-WFASDCNBSA-N 2 1 332.448 1.324 20 0 EDADMP COc1ccnc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)c1 ZINC000939749656 699897123 /nfs/dbraw/zinc/89/71/23/699897123.db2.gz WTPXWXREOJMCIX-CXAGYDPISA-N 2 1 343.431 1.232 20 0 EDADMP CC(C)c1cnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)o1 ZINC000939755291 699906480 /nfs/dbraw/zinc/90/64/80/699906480.db2.gz BPKBMNGEKSVICY-GJZGRUSLSA-N 2 1 334.464 1.830 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000939745091 699910325 /nfs/dbraw/zinc/91/03/25/699910325.db2.gz AAJXGAIMJYUWCP-WBMJQRKESA-N 2 1 347.850 1.877 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000939746167 699911770 /nfs/dbraw/zinc/91/17/70/699911770.db2.gz FUJJEXLEEGYYRU-DYVFJYSZSA-N 2 1 330.407 1.967 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1csc(Cl)n1 ZINC000939757066 699923893 /nfs/dbraw/zinc/92/38/93/699923893.db2.gz XHQITKMZFWBFEM-AAEUAGOBSA-N 2 1 342.896 1.829 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000940178093 700311420 /nfs/dbraw/zinc/31/14/20/700311420.db2.gz BYQLVVHYADEBDD-INIZCTEOSA-N 2 1 334.464 1.938 20 0 EDADMP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000940179074 700312843 /nfs/dbraw/zinc/31/28/43/700312843.db2.gz QRYGYXBGAHOIEC-HNNXBMFYSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccns2)CC1 ZINC000940327629 700504779 /nfs/dbraw/zinc/50/47/79/700504779.db2.gz LJHGZIHRNGWWGU-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000940328187 700505751 /nfs/dbraw/zinc/50/57/51/700505751.db2.gz GYMMALYHOCFCTL-CQSZACIVSA-N 2 1 349.479 1.587 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000940328187 700505753 /nfs/dbraw/zinc/50/57/53/700505753.db2.gz GYMMALYHOCFCTL-CQSZACIVSA-N 2 1 349.479 1.587 20 0 EDADMP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000940329185 700508306 /nfs/dbraw/zinc/50/83/06/700508306.db2.gz QYFIPCQUISKHOS-OAHLLOKOSA-N 2 1 348.495 1.111 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000940426014 700619239 /nfs/dbraw/zinc/61/92/39/700619239.db2.gz BSKHFNIRRPYLGY-CQSZACIVSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000940426014 700619241 /nfs/dbraw/zinc/61/92/41/700619241.db2.gz BSKHFNIRRPYLGY-CQSZACIVSA-N 2 1 349.479 1.445 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]Cc3cccnc3)CC2)C1 ZINC000940426254 700620193 /nfs/dbraw/zinc/62/01/93/700620193.db2.gz LZOLROUBSHFKRA-MRXNPFEDSA-N 2 1 330.476 1.894 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1 ZINC000940472548 700657715 /nfs/dbraw/zinc/65/77/15/700657715.db2.gz CKPGNNNIOXRRRB-OAHLLOKOSA-N 2 1 335.452 1.415 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000940457892 700661848 /nfs/dbraw/zinc/66/18/48/700661848.db2.gz YXYCLJSVSCHCJF-AWEZNQCLSA-N 2 1 349.479 1.615 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000940461676 700664956 /nfs/dbraw/zinc/66/49/56/700664956.db2.gz HORJOONVSJRSRT-INIZCTEOSA-N 2 1 334.464 1.731 20 0 EDADMP CCc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995082733 700726877 /nfs/dbraw/zinc/72/68/77/700726877.db2.gz ZLEKEIYEVKLLRH-ZFWWWQNUSA-N 2 1 349.479 1.348 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940798525 700916315 /nfs/dbraw/zinc/91/63/15/700916315.db2.gz IBPHQUIMGUFXBX-CVEARBPZSA-N 2 1 325.497 1.173 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCO)CC2(C)C)C1 ZINC000940798525 700916318 /nfs/dbraw/zinc/91/63/18/700916318.db2.gz IBPHQUIMGUFXBX-CVEARBPZSA-N 2 1 325.497 1.173 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCO)CC2(C)C)C1 ZINC000940798525 700916320 /nfs/dbraw/zinc/91/63/20/700916320.db2.gz IBPHQUIMGUFXBX-CVEARBPZSA-N 2 1 325.497 1.173 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC[C@@H]2CCOC2)CC1(C)C ZINC000940892807 700968126 /nfs/dbraw/zinc/96/81/26/700968126.db2.gz LBCVRZOZWZHHSV-SJORKVTESA-N 2 1 348.491 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)CC1(C)C ZINC000940892807 700968128 /nfs/dbraw/zinc/96/81/28/700968128.db2.gz LBCVRZOZWZHHSV-SJORKVTESA-N 2 1 348.491 1.835 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000940993962 701029727 /nfs/dbraw/zinc/02/97/27/701029727.db2.gz PSCPDCWFWJMAML-HOCLYGCPSA-N 2 1 325.497 1.580 20 0 EDADMP CC1(C)C[N@@H+](CCn2cccn2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941215082 701401244 /nfs/dbraw/zinc/40/12/44/701401244.db2.gz KZYOENKARIGKNT-MRXNPFEDSA-N 2 1 333.480 1.196 20 0 EDADMP Cc1cnc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)cn1 ZINC000941220552 701410801 /nfs/dbraw/zinc/41/08/01/701410801.db2.gz GHEJOADMHUBSIE-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)cn1 ZINC000941220552 701410803 /nfs/dbraw/zinc/41/08/03/701410803.db2.gz GHEJOADMHUBSIE-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941220552 701410805 /nfs/dbraw/zinc/41/08/05/701410805.db2.gz GHEJOADMHUBSIE-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941220552 701410807 /nfs/dbraw/zinc/41/08/07/701410807.db2.gz GHEJOADMHUBSIE-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)on1 ZINC000941220795 701411151 /nfs/dbraw/zinc/41/11/51/701411151.db2.gz HVGQGXHYXUTZKX-MRXNPFEDSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCCO2)CC1(C)C ZINC000941222914 701413450 /nfs/dbraw/zinc/41/34/50/701413450.db2.gz AWSMUJWWXXWJAO-IAGOWNOFSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)CC1(C)C ZINC000941222914 701413451 /nfs/dbraw/zinc/41/34/51/701413451.db2.gz AWSMUJWWXXWJAO-IAGOWNOFSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)CC1(C)C ZINC000941224135 701414369 /nfs/dbraw/zinc/41/43/69/701414369.db2.gz REHHEGSGQHTARN-DLBZAZTESA-N 2 1 348.491 1.835 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC1(C)C ZINC000941224135 701414370 /nfs/dbraw/zinc/41/43/70/701414370.db2.gz REHHEGSGQHTARN-DLBZAZTESA-N 2 1 348.491 1.835 20 0 EDADMP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408910 701521408 /nfs/dbraw/zinc/52/14/08/701521408.db2.gz YDNXVRKZJVXDMJ-ROUUACIJSA-N 2 1 348.535 1.345 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCC3=CCCCC3)C2)C1 ZINC001032200145 701789712 /nfs/dbraw/zinc/78/97/12/701789712.db2.gz MBKKUNXFUNPPTG-SFHVURJKSA-N 2 1 335.492 1.646 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCC3=CCCCC3)C2)C1 ZINC001032200145 701789716 /nfs/dbraw/zinc/78/97/16/701789716.db2.gz MBKKUNXFUNPPTG-SFHVURJKSA-N 2 1 335.492 1.646 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3cccnc3)C2)C1 ZINC001032129113 701810768 /nfs/dbraw/zinc/81/07/68/701810768.db2.gz QUEHVWVZPVCHAM-MSOLQXFVSA-N 2 1 330.476 1.750 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)c(C)n1 ZINC001032130344 701840813 /nfs/dbraw/zinc/84/08/13/701840813.db2.gz MDWKAZZBDINNEW-UHFFFAOYSA-N 2 1 328.460 1.342 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000999176486 706617964 /nfs/dbraw/zinc/61/79/64/706617964.db2.gz WONNQRMVAZFZEP-GDBMZVCRSA-N 2 1 334.489 1.566 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000999189227 706630909 /nfs/dbraw/zinc/63/09/09/706630909.db2.gz IQEJQPRJNUNSHK-XOKHGSTOSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189534 706632001 /nfs/dbraw/zinc/63/20/01/706632001.db2.gz KZEMVEYDPNUYJE-VNQPRFMTSA-N 2 1 334.464 1.712 20 0 EDADMP Cc1cccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189841 706632017 /nfs/dbraw/zinc/63/20/17/706632017.db2.gz NOBVNIGUGJFPES-BRWVUGGUSA-N 2 1 330.476 1.811 20 0 EDADMP Cc1nnsc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999191300 706633954 /nfs/dbraw/zinc/63/39/54/706633954.db2.gz XFEXVCPBIUVQKJ-MGPQQGTHSA-N 2 1 337.493 1.267 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001032205939 702111711 /nfs/dbraw/zinc/11/17/11/702111711.db2.gz MWWPHRUUIUJMJA-SFHVURJKSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnc(C)s2)C1 ZINC001032206212 702132958 /nfs/dbraw/zinc/13/29/58/702132958.db2.gz UZQWCBUFGMEHOB-MRXNPFEDSA-N 2 1 336.505 1.874 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnc(C)s2)C1 ZINC001032206212 702132962 /nfs/dbraw/zinc/13/29/62/702132962.db2.gz UZQWCBUFGMEHOB-MRXNPFEDSA-N 2 1 336.505 1.874 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CCCc3cccc(F)c3)C2)C1 ZINC001032182107 702184061 /nfs/dbraw/zinc/18/40/61/702184061.db2.gz FEAGRCHGMRILNT-KRWDZBQOSA-N 2 1 333.451 1.758 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)n1 ZINC000995900265 702206551 /nfs/dbraw/zinc/20/65/51/702206551.db2.gz XHKHNSMRHCKWCP-WBVHZDCISA-N 2 1 345.491 1.452 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NCc3cnon3)C(C)(C)C2)C1 ZINC000995885988 702221867 /nfs/dbraw/zinc/22/18/67/702221867.db2.gz QGDCQZLGYICSQD-GOEBONIOSA-N 2 1 349.479 1.374 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cnon3)C(C)(C)C2)C1 ZINC000995885988 702221872 /nfs/dbraw/zinc/22/18/72/702221872.db2.gz QGDCQZLGYICSQD-GOEBONIOSA-N 2 1 349.479 1.374 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cnon3)C(C)(C)C2)C1 ZINC000995885988 702221876 /nfs/dbraw/zinc/22/18/76/702221876.db2.gz QGDCQZLGYICSQD-GOEBONIOSA-N 2 1 349.479 1.374 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]Cc2cnns2)C(C)(C)C1)C1CCC1 ZINC000995920056 702239892 /nfs/dbraw/zinc/23/98/92/702239892.db2.gz RTOQWZPDUVCKQV-CQSZACIVSA-N 2 1 337.493 1.349 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995913865 702273127 /nfs/dbraw/zinc/27/31/27/702273127.db2.gz BXTAQIRENBBGQY-INIZCTEOSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)co1 ZINC000999221877 706655266 /nfs/dbraw/zinc/65/52/66/706655266.db2.gz DWKBFXFSGLRRQC-UHFFFAOYSA-N 2 1 334.464 1.936 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccnn3C)C2)CC[N@H+]1C ZINC000999211538 706664616 /nfs/dbraw/zinc/66/46/16/706664616.db2.gz ZOFBJYGGEPRADC-BHYGNILZSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)ncn1 ZINC000944168873 702409186 /nfs/dbraw/zinc/40/91/86/702409186.db2.gz LGPGTEGJGLVJFO-WMLDXEAASA-N 2 1 343.475 1.207 20 0 EDADMP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC000995196914 702449417 /nfs/dbraw/zinc/44/94/17/702449417.db2.gz APJRFYZXKAFEJJ-GJZGRUSLSA-N 2 1 331.420 1.563 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000996300669 702692562 /nfs/dbraw/zinc/69/25/62/702692562.db2.gz OFWKHJQSBSSSGT-OCCSQVGLSA-N 2 1 337.493 1.349 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3cncs3)C(C)(C)C2)C1 ZINC000996302775 702694867 /nfs/dbraw/zinc/69/48/67/702694867.db2.gz ZGEKPYFXXQTAIB-ZFWWWQNUSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@H]1C[N@H+](CCC2CC2)CC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942207141 702712752 /nfs/dbraw/zinc/71/27/52/702712752.db2.gz JRZMKYHZYWXTMM-BBRMVZONSA-N 2 1 334.464 1.977 20 0 EDADMP C[C@H]1C[N@@H+](CCC2CC2)CC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942207141 702712753 /nfs/dbraw/zinc/71/27/53/702712753.db2.gz JRZMKYHZYWXTMM-BBRMVZONSA-N 2 1 334.464 1.977 20 0 EDADMP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1(C)C ZINC000996459273 702803492 /nfs/dbraw/zinc/80/34/92/702803492.db2.gz BOLOXQYWLNPGCF-CZUORRHYSA-N 2 1 343.431 1.088 20 0 EDADMP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996476926 702808878 /nfs/dbraw/zinc/80/88/78/702808878.db2.gz JIJQZTZSNWQBCU-BBRMVZONSA-N 2 1 349.504 1.493 20 0 EDADMP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996476926 702808881 /nfs/dbraw/zinc/80/88/81/702808881.db2.gz JIJQZTZSNWQBCU-BBRMVZONSA-N 2 1 349.504 1.493 20 0 EDADMP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996478210 702809854 /nfs/dbraw/zinc/80/98/54/702809854.db2.gz QUEJWBNCGQAKSN-NVXWUHKLSA-N 2 1 345.491 1.375 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)on1 ZINC000996478116 702809936 /nfs/dbraw/zinc/80/99/36/702809936.db2.gz PDXDLINRTJGFDV-DOTOQJQBSA-N 2 1 346.475 1.938 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000996506368 702827312 /nfs/dbraw/zinc/82/73/12/702827312.db2.gz LJYNOEVTFYOURJ-HZPDHXFCSA-N 2 1 325.497 1.460 20 0 EDADMP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996500177 702839264 /nfs/dbraw/zinc/83/92/64/702839264.db2.gz CWNHJCBWCSXPBI-HKUYNNGSSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996515927 702851478 /nfs/dbraw/zinc/85/14/78/702851478.db2.gz WJXHRJNQSCIKPL-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000996602796 702905386 /nfs/dbraw/zinc/90/53/86/702905386.db2.gz GQPSKCYJXXMIHZ-OKZBNKHCSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]([NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C)c1ncccn1 ZINC000996608162 702911723 /nfs/dbraw/zinc/91/17/23/702911723.db2.gz BVIGTLFZXOMECR-CABCVRRESA-N 2 1 331.464 1.460 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ccccn3)CC2)CC[N@H+]1C ZINC000996604630 702914165 /nfs/dbraw/zinc/91/41/65/702914165.db2.gz VQWMQUHFFDATRV-ZWKOTPCHSA-N 2 1 330.476 1.893 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cc(C)ncn2)C(C)(C)C1 ZINC000996612021 702917376 /nfs/dbraw/zinc/91/73/76/702917376.db2.gz PSQCZNZMECUEAL-INIZCTEOSA-N 2 1 342.447 1.317 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC000996613736 702918760 /nfs/dbraw/zinc/91/87/60/702918760.db2.gz XENZTKQDXZLXHR-JKSUJKDBSA-N 2 1 348.491 1.833 20 0 EDADMP COc1ccnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)c1 ZINC000996614347 702919700 /nfs/dbraw/zinc/91/97/00/702919700.db2.gz MTEHMACTSRFTJY-PBHICJAKSA-N 2 1 346.475 1.369 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996614389 702919825 /nfs/dbraw/zinc/91/98/25/702919825.db2.gz NAQHNWWQXIGAQI-GDBMZVCRSA-N 2 1 334.464 1.570 20 0 EDADMP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996614492 702919862 /nfs/dbraw/zinc/91/98/62/702919862.db2.gz NIURLPHPOHYSOD-NVXWUHKLSA-N 2 1 330.476 1.668 20 0 EDADMP O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996623078 702928268 /nfs/dbraw/zinc/92/82/68/702928268.db2.gz UZOUCYYDFJSWQX-ZWKOTPCHSA-N 2 1 344.459 1.025 20 0 EDADMP Cc1ccc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001032313257 702960399 /nfs/dbraw/zinc/96/03/99/702960399.db2.gz HAXFQELWLZDPBS-FHWLQOOXSA-N 2 1 327.472 1.917 20 0 EDADMP Cc1ccc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001032313257 702960401 /nfs/dbraw/zinc/96/04/01/702960401.db2.gz HAXFQELWLZDPBS-FHWLQOOXSA-N 2 1 327.472 1.917 20 0 EDADMP Cc1ccc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001032313257 702960403 /nfs/dbraw/zinc/96/04/03/702960403.db2.gz HAXFQELWLZDPBS-FHWLQOOXSA-N 2 1 327.472 1.917 20 0 EDADMP C[C@@H]1C[C@@H](C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CCO1 ZINC000996667014 702963931 /nfs/dbraw/zinc/96/39/31/702963931.db2.gz VTEYSVOBPSGVJU-CVEARBPZSA-N 2 1 337.508 1.866 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)n1 ZINC000996664867 702967165 /nfs/dbraw/zinc/96/71/65/702967165.db2.gz MTCRYQMPPPVJEM-UHFFFAOYSA-N 2 1 335.452 1.197 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCc1ccccc1F ZINC001032315306 702968752 /nfs/dbraw/zinc/96/87/52/702968752.db2.gz IAKYTGWKDDHVAT-XYJFISCASA-N 2 1 331.435 1.748 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nccn2C)C(C)(C)C1 ZINC000996671879 702972922 /nfs/dbraw/zinc/97/29/22/702972922.db2.gz OXFQBGBFSRJQKL-HZPDHXFCSA-N 2 1 347.507 1.621 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996715913 703009263 /nfs/dbraw/zinc/00/92/63/703009263.db2.gz GRYMUOMHROHJAP-HOTGVXAUSA-N 2 1 349.504 1.636 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996715913 703009265 /nfs/dbraw/zinc/00/92/65/703009265.db2.gz GRYMUOMHROHJAP-HOTGVXAUSA-N 2 1 349.504 1.636 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996747487 703041387 /nfs/dbraw/zinc/04/13/87/703041387.db2.gz FNVRDYHTIKZXFW-SJLPKXTDSA-N 2 1 337.508 1.724 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CCCCC1 ZINC001032684920 706716374 /nfs/dbraw/zinc/71/63/74/706716374.db2.gz ZEYZCCMPRCCVML-ROUUACIJSA-N 2 1 333.476 1.494 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CCCCC1 ZINC001032684920 706716378 /nfs/dbraw/zinc/71/63/78/706716378.db2.gz ZEYZCCMPRCCVML-ROUUACIJSA-N 2 1 333.476 1.494 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2cncc(C)c2)CC1 ZINC000996797677 703089790 /nfs/dbraw/zinc/08/97/90/703089790.db2.gz ILQDXRFVTXJRPE-UHFFFAOYSA-N 2 1 327.432 1.676 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596773 703111389 /nfs/dbraw/zinc/11/13/89/703111389.db2.gz GDKOQWDNOZSNII-YOEHRIQHSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cncc(F)c2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597757 703112429 /nfs/dbraw/zinc/11/24/29/703112429.db2.gz NIRKDLNFCBSURI-RDTXWAMCSA-N 2 1 348.466 1.889 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597757 703112430 /nfs/dbraw/zinc/11/24/30/703112430.db2.gz NIRKDLNFCBSURI-RDTXWAMCSA-N 2 1 348.466 1.889 20 0 EDADMP CCn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597983 703112712 /nfs/dbraw/zinc/11/27/12/703112712.db2.gz PFFWGEFMJNSVTB-DOTOQJQBSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccnc1C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597983 703112714 /nfs/dbraw/zinc/11/27/14/703112714.db2.gz PFFWGEFMJNSVTB-DOTOQJQBSA-N 2 1 347.507 1.571 20 0 EDADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC([NH2+]CCC2CC2)CC1 ZINC000996823755 703113958 /nfs/dbraw/zinc/11/39/58/703113958.db2.gz WOZXVSHMCXFJJB-URSIVYNOSA-N 2 1 333.476 1.230 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)o1 ZINC001032043276 703218933 /nfs/dbraw/zinc/21/89/33/703218933.db2.gz YWEALNCJSKZJIH-DLBZAZTESA-N 2 1 346.475 1.856 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)o1 ZINC001032043276 703218936 /nfs/dbraw/zinc/21/89/36/703218936.db2.gz YWEALNCJSKZJIH-DLBZAZTESA-N 2 1 346.475 1.856 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000997004745 703262082 /nfs/dbraw/zinc/26/20/82/703262082.db2.gz GMSREDTXRZHRTG-CQSZACIVSA-N 2 1 348.495 1.029 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)n1 ZINC000997005535 703262791 /nfs/dbraw/zinc/26/27/91/703262791.db2.gz IMQIZBIAORBROK-UHFFFAOYSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)n1 ZINC000997005535 703262792 /nfs/dbraw/zinc/26/27/92/703262792.db2.gz IMQIZBIAORBROK-UHFFFAOYSA-N 2 1 335.452 1.191 20 0 EDADMP CCn1ncc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)n1 ZINC000997008731 703266710 /nfs/dbraw/zinc/26/67/10/703266710.db2.gz WMUVVUVTKZQTMZ-UHFFFAOYSA-N 2 1 348.495 1.111 20 0 EDADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000997083458 703321987 /nfs/dbraw/zinc/32/19/87/703321987.db2.gz KVDJQJMSEAPQHU-DLBZAZTESA-N 2 1 332.448 1.772 20 0 EDADMP Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)cn1 ZINC000997094031 703341516 /nfs/dbraw/zinc/34/15/16/703341516.db2.gz QVPXAGNDJHFDKY-MSOLQXFVSA-N 2 1 345.491 1.518 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@H+]1C ZINC000921531575 703391728 /nfs/dbraw/zinc/39/17/28/703391728.db2.gz KDVNMKIGFSJEKH-DZUCGIPZSA-N 2 1 338.496 1.146 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(F)(F)C1 ZINC001032408048 703433986 /nfs/dbraw/zinc/43/39/86/703433986.db2.gz SZCBJUCUBHQQLJ-HRCADAONSA-N 2 1 339.430 1.659 20 0 EDADMP CC1CC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001032409283 703438697 /nfs/dbraw/zinc/43/86/97/703438697.db2.gz IZZWFJIXCDDBTE-GQGLESIBSA-N 2 1 345.491 1.390 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3nc(C4CC4)no3)CC2)C1 ZINC000997183421 703468522 /nfs/dbraw/zinc/46/85/22/703468522.db2.gz JYTGVNDWCANDKP-ZDUSSCGKSA-N 2 1 347.463 1.369 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3nc(C4CC4)no3)CC2)C1 ZINC000997183421 703468525 /nfs/dbraw/zinc/46/85/25/703468525.db2.gz JYTGVNDWCANDKP-ZDUSSCGKSA-N 2 1 347.463 1.369 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997185819 703475046 /nfs/dbraw/zinc/47/50/46/703475046.db2.gz SEQHNOAVQKTPSU-CVEARBPZSA-N 2 1 345.491 1.768 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000997193016 703490492 /nfs/dbraw/zinc/49/04/92/703490492.db2.gz MNHXQGYYGKOABW-UHFFFAOYSA-N 2 1 347.463 1.369 20 0 EDADMP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997276489 703535828 /nfs/dbraw/zinc/53/58/28/703535828.db2.gz IEFCISHFUMCFPP-PBHICJAKSA-N 2 1 348.491 1.617 20 0 EDADMP COC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997278030 703536487 /nfs/dbraw/zinc/53/64/87/703536487.db2.gz CVCWOUKPOGFHCA-LHHMISFZSA-N 2 1 339.524 1.968 20 0 EDADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997289060 703550413 /nfs/dbraw/zinc/55/04/13/703550413.db2.gz IMGNQDOOAZGSRT-OAHLLOKOSA-N 2 1 347.507 1.479 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3noc4c3CCCC4)CC2)C1 ZINC000997297254 703555624 /nfs/dbraw/zinc/55/56/24/703555624.db2.gz DOOICKNQRKHIEG-AWEZNQCLSA-N 2 1 346.475 1.586 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@H](O)C3CCCCC3)CC2)C1 ZINC000997299527 703557002 /nfs/dbraw/zinc/55/70/02/703557002.db2.gz OWWKQFIGPAQKHF-WMZOPIPTSA-N 2 1 337.508 1.460 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc4nonc4c3)CC2)C1 ZINC000997304945 703564341 /nfs/dbraw/zinc/56/43/41/703564341.db2.gz YMCLWFHOCDGQQU-AWEZNQCLSA-N 2 1 343.431 1.255 20 0 EDADMP Cc1nnsc1C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000997311189 703567731 /nfs/dbraw/zinc/56/77/31/703567731.db2.gz XSNHDCNSQATUQM-UHFFFAOYSA-N 2 1 334.449 1.132 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nc(C)no2)CC1 ZINC000997367012 703601080 /nfs/dbraw/zinc/60/10/80/703601080.db2.gz SFGHCCJNRIYNRH-BBRMVZONSA-N 2 1 349.479 1.894 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nc(C)no2)CC1 ZINC000997367012 703601082 /nfs/dbraw/zinc/60/10/82/703601082.db2.gz SFGHCCJNRIYNRH-BBRMVZONSA-N 2 1 349.479 1.894 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000997368149 703604978 /nfs/dbraw/zinc/60/49/78/703604978.db2.gz QFDCDZZWHDZLDE-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997420349 703670265 /nfs/dbraw/zinc/67/02/65/703670265.db2.gz HNWLYZFFJSNSNL-RHSMWYFYSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000997422276 703670937 /nfs/dbraw/zinc/67/09/37/703670937.db2.gz VMTWTIOXBGFJQS-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000997422276 703670938 /nfs/dbraw/zinc/67/09/38/703670938.db2.gz VMTWTIOXBGFJQS-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922547142 703953292 /nfs/dbraw/zinc/95/32/92/703953292.db2.gz OVLXGSJBROVWMB-JYJNAYRXSA-N 2 1 342.553 1.986 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922547142 703953294 /nfs/dbraw/zinc/95/32/94/703953294.db2.gz OVLXGSJBROVWMB-JYJNAYRXSA-N 2 1 342.553 1.986 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000922547142 703953295 /nfs/dbraw/zinc/95/32/95/703953295.db2.gz OVLXGSJBROVWMB-JYJNAYRXSA-N 2 1 342.553 1.986 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995550586 703953992 /nfs/dbraw/zinc/95/39/92/703953992.db2.gz JUZJEFKWIJSGDQ-HZPDHXFCSA-N 2 1 331.464 1.206 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCCCO1 ZINC001032521034 703967156 /nfs/dbraw/zinc/96/71/56/703967156.db2.gz RMLVBFVWVPIMIR-BZSNNMDCSA-N 2 1 340.427 1.802 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCCCO1 ZINC001032521034 703967158 /nfs/dbraw/zinc/96/71/58/703967158.db2.gz RMLVBFVWVPIMIR-BZSNNMDCSA-N 2 1 340.427 1.802 20 0 EDADMP Cc1ncoc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033071364 704092562 /nfs/dbraw/zinc/09/25/62/704092562.db2.gz ZKQNIOIWADOUNO-HZPDHXFCSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1ncoc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033071364 704092564 /nfs/dbraw/zinc/09/25/64/704092564.db2.gz ZKQNIOIWADOUNO-HZPDHXFCSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033071364 704092567 /nfs/dbraw/zinc/09/25/67/704092567.db2.gz ZKQNIOIWADOUNO-HZPDHXFCSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033071364 704092569 /nfs/dbraw/zinc/09/25/69/704092569.db2.gz ZKQNIOIWADOUNO-HZPDHXFCSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033082575 704139343 /nfs/dbraw/zinc/13/93/43/704139343.db2.gz SALNXXNBHNBWAS-DLBZAZTESA-N 2 1 346.475 1.666 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033082577 704139609 /nfs/dbraw/zinc/13/96/09/704139609.db2.gz SALNXXNBHNBWAS-IRXDYDNUSA-N 2 1 346.475 1.666 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001033082892 704140866 /nfs/dbraw/zinc/14/08/66/704140866.db2.gz VKBHTYWAWSWAHE-RDJZCZTQSA-N 2 1 332.448 1.358 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001033082892 704140867 /nfs/dbraw/zinc/14/08/67/704140867.db2.gz VKBHTYWAWSWAHE-RDJZCZTQSA-N 2 1 332.448 1.358 20 0 EDADMP CCn1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001033093193 704169996 /nfs/dbraw/zinc/16/99/96/704169996.db2.gz YDBVWHYBKKZOIB-DJIMGWMZSA-N 2 1 333.480 1.276 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cnc(C)nc3)C2)CC[N@@H+]1C ZINC001033100245 704228262 /nfs/dbraw/zinc/22/82/62/704228262.db2.gz WLSWEXJECCBOSS-OKZBNKHCSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cnc(C)nc3)C2)CC[N@H+]1C ZINC001033100245 704228264 /nfs/dbraw/zinc/22/82/64/704228264.db2.gz WLSWEXJECCBOSS-OKZBNKHCSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cnc(C)nc3)C2)CC[NH+]1C ZINC001033100245 704228266 /nfs/dbraw/zinc/22/82/66/704228266.db2.gz WLSWEXJECCBOSS-OKZBNKHCSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnc(C)nc3)C2)CC[NH+]1C ZINC001033100245 704228267 /nfs/dbraw/zinc/22/82/67/704228267.db2.gz WLSWEXJECCBOSS-OKZBNKHCSA-N 2 1 345.491 1.548 20 0 EDADMP O=C([C@H]1C[C@H]2CCCC[NH+]2C1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946592503 704230533 /nfs/dbraw/zinc/23/05/33/704230533.db2.gz QPXOVYYJEXFCCK-XWTMOSNGSA-N 2 1 335.492 1.024 20 0 EDADMP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946592503 704230537 /nfs/dbraw/zinc/23/05/37/704230537.db2.gz QPXOVYYJEXFCCK-XWTMOSNGSA-N 2 1 335.492 1.024 20 0 EDADMP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946592503 704230540 /nfs/dbraw/zinc/23/05/40/704230540.db2.gz QPXOVYYJEXFCCK-XWTMOSNGSA-N 2 1 335.492 1.024 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000999310377 706813391 /nfs/dbraw/zinc/81/33/91/706813391.db2.gz XXQULHNBDNEDHB-ROUUACIJSA-N 2 1 347.507 1.418 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCC3CCCC3)C(C)(C)C2)C1 ZINC000995593869 704560355 /nfs/dbraw/zinc/56/03/55/704560355.db2.gz BLJKPHZLDRIWSB-DLBZAZTESA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCC3CCCC3)C(C)(C)C2)C1 ZINC000995593869 704560357 /nfs/dbraw/zinc/56/03/57/704560357.db2.gz BLJKPHZLDRIWSB-DLBZAZTESA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538932 704592487 /nfs/dbraw/zinc/59/24/87/704592487.db2.gz YZBQYFGKLNAETH-XIRDDKMYSA-N 2 1 331.460 1.070 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)no1 ZINC000997822815 704742414 /nfs/dbraw/zinc/74/24/14/704742414.db2.gz GSQNVTVPAJBWRK-CYBMUJFWSA-N 2 1 349.479 1.752 20 0 EDADMP Cn1cc(C[NH2+]CC2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000997838383 704755605 /nfs/dbraw/zinc/75/56/05/704755605.db2.gz BXAJACSSWCDOSY-SFHVURJKSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1ccnc1C[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000997841305 704757813 /nfs/dbraw/zinc/75/78/13/704757813.db2.gz SPGIGNNAKZBEDY-QGZVFWFLSA-N 2 1 347.507 1.623 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000997860064 704768973 /nfs/dbraw/zinc/76/89/73/704768973.db2.gz DFOCQDVGGGPIFQ-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000997864470 704770991 /nfs/dbraw/zinc/77/09/91/704770991.db2.gz JDOWKEDVITTXRB-MRXNPFEDSA-N 2 1 336.505 1.956 20 0 EDADMP CCc1onc(C)c1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944944568 704797194 /nfs/dbraw/zinc/79/71/94/704797194.db2.gz NIHYAMAOUJFSMO-YOEHRIQHSA-N 2 1 348.491 1.968 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)cn1 ZINC000944945223 704798293 /nfs/dbraw/zinc/79/82/93/704798293.db2.gz QDINOOWHADVKHS-DOTOQJQBSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1cnc(CN2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)s1 ZINC000944965434 704835405 /nfs/dbraw/zinc/83/54/05/704835405.db2.gz SOPRLXVEABHJNK-SWLSCSKDSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2coc(C)n2)CC1 ZINC000997916397 704981650 /nfs/dbraw/zinc/98/16/50/704981650.db2.gz SSHRUQATFCMZEE-UHFFFAOYSA-N 2 1 331.420 1.516 20 0 EDADMP O=C([C@H]1COCCN1C1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CC1 ZINC001032585400 705055127 /nfs/dbraw/zinc/05/51/27/705055127.db2.gz HAFVSTSTLGYJHM-GBESFXJTSA-N 2 1 347.503 1.715 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000998018466 705201814 /nfs/dbraw/zinc/20/18/14/705201814.db2.gz VJAQLWKMZJNZQA-HOTGVXAUSA-N 2 1 338.496 1.048 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC000998018466 705201816 /nfs/dbraw/zinc/20/18/16/705201816.db2.gz VJAQLWKMZJNZQA-HOTGVXAUSA-N 2 1 338.496 1.048 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC000998018466 705201820 /nfs/dbraw/zinc/20/18/20/705201820.db2.gz VJAQLWKMZJNZQA-HOTGVXAUSA-N 2 1 338.496 1.048 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)no1 ZINC000998080549 705306159 /nfs/dbraw/zinc/30/61/59/705306159.db2.gz DDHFEFURGWUWGZ-ZIAGYGMSSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)no1 ZINC000998080549 705306161 /nfs/dbraw/zinc/30/61/61/705306161.db2.gz DDHFEFURGWUWGZ-ZIAGYGMSSA-N 2 1 349.479 1.752 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998189251 705494326 /nfs/dbraw/zinc/49/43/26/705494326.db2.gz MTXMWBGQZXSXIZ-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998189251 705494328 /nfs/dbraw/zinc/49/43/28/705494328.db2.gz MTXMWBGQZXSXIZ-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000998189251 705494332 /nfs/dbraw/zinc/49/43/32/705494332.db2.gz MTXMWBGQZXSXIZ-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998189251 705494336 /nfs/dbraw/zinc/49/43/36/705494336.db2.gz MTXMWBGQZXSXIZ-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CCCc1noc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000998268467 705644329 /nfs/dbraw/zinc/64/43/29/705644329.db2.gz GKUILIQQBMCKAU-UHFFFAOYSA-N 2 1 349.479 1.446 20 0 EDADMP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998274820 705657876 /nfs/dbraw/zinc/65/78/76/705657876.db2.gz WDLMLUIXRLSFKD-INIZCTEOSA-N 2 1 333.480 1.183 20 0 EDADMP CCn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@H](C)C2)cn1 ZINC001032628228 705741085 /nfs/dbraw/zinc/74/10/85/705741085.db2.gz UAASYUZCHIYRFD-SZMVWBNQSA-N 2 1 345.491 1.072 20 0 EDADMP CCn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@H](C)C2)cn1 ZINC001032628228 705741086 /nfs/dbraw/zinc/74/10/86/705741086.db2.gz UAASYUZCHIYRFD-SZMVWBNQSA-N 2 1 345.491 1.072 20 0 EDADMP CCn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@H](C)C2)cn1 ZINC001032628228 705741087 /nfs/dbraw/zinc/74/10/87/705741087.db2.gz UAASYUZCHIYRFD-SZMVWBNQSA-N 2 1 345.491 1.072 20 0 EDADMP CCn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@H](C)C2)cn1 ZINC001032628228 705741088 /nfs/dbraw/zinc/74/10/88/705741088.db2.gz UAASYUZCHIYRFD-SZMVWBNQSA-N 2 1 345.491 1.072 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)C1 ZINC001032629265 705746803 /nfs/dbraw/zinc/74/68/03/705746803.db2.gz YXYPPZPYMGQXKH-ZQIUZPCESA-N 2 1 329.435 1.844 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)C1 ZINC001032629265 705746807 /nfs/dbraw/zinc/74/68/07/705746807.db2.gz YXYPPZPYMGQXKH-ZQIUZPCESA-N 2 1 329.435 1.844 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCF)C1 ZINC001032629265 705746812 /nfs/dbraw/zinc/74/68/12/705746812.db2.gz YXYPPZPYMGQXKH-ZQIUZPCESA-N 2 1 329.435 1.844 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCF)C1 ZINC001032629265 705746815 /nfs/dbraw/zinc/74/68/15/705746815.db2.gz YXYPPZPYMGQXKH-ZQIUZPCESA-N 2 1 329.435 1.844 20 0 EDADMP Cc1cc(C)cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998582113 706015837 /nfs/dbraw/zinc/01/58/37/706015837.db2.gz CJQBPHSZUMRNKM-CTWPCTMYSA-N 2 1 345.487 1.713 20 0 EDADMP Cc1cc(C)cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998582113 706015839 /nfs/dbraw/zinc/01/58/39/706015839.db2.gz CJQBPHSZUMRNKM-CTWPCTMYSA-N 2 1 345.487 1.713 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000998728647 706159064 /nfs/dbraw/zinc/15/90/64/706159064.db2.gz CZUJBAICCKGCPA-HOCLYGCPSA-N 2 1 348.495 1.208 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000998728647 706159066 /nfs/dbraw/zinc/15/90/66/706159066.db2.gz CZUJBAICCKGCPA-HOCLYGCPSA-N 2 1 348.495 1.208 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2csc(Cl)n2)C1 ZINC000998730219 706162299 /nfs/dbraw/zinc/16/22/99/706162299.db2.gz JLPGTDSREUMKJA-WCQYABFASA-N 2 1 342.896 1.971 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csc(Cl)n2)C1 ZINC000998730219 706162303 /nfs/dbraw/zinc/16/23/03/706162303.db2.gz JLPGTDSREUMKJA-WCQYABFASA-N 2 1 342.896 1.971 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC000998780629 706221965 /nfs/dbraw/zinc/22/19/65/706221965.db2.gz RVOUTGQSTLXHRQ-YMAMQOFZSA-N 2 1 347.463 1.053 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)o1 ZINC000999035267 706449997 /nfs/dbraw/zinc/44/99/97/706449997.db2.gz KGFFGJBWODPQSN-UYSNPLJNSA-N 2 1 349.479 1.577 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)o1 ZINC000999035267 706450000 /nfs/dbraw/zinc/45/00/00/706450000.db2.gz KGFFGJBWODPQSN-UYSNPLJNSA-N 2 1 349.479 1.577 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccon2)C1 ZINC000999035809 706450710 /nfs/dbraw/zinc/45/07/10/706450710.db2.gz NERUMBKSIHSVEM-JCYILVPMSA-N 2 1 334.464 1.874 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccon2)C1 ZINC000999035809 706450712 /nfs/dbraw/zinc/45/07/12/706450712.db2.gz NERUMBKSIHSVEM-JCYILVPMSA-N 2 1 334.464 1.874 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999142868 706556012 /nfs/dbraw/zinc/55/60/12/706556012.db2.gz COJOKDAUIKWMGC-HOTGVXAUSA-N 2 1 348.495 1.251 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999142868 706556015 /nfs/dbraw/zinc/55/60/15/706556015.db2.gz COJOKDAUIKWMGC-HOTGVXAUSA-N 2 1 348.495 1.251 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)nc1 ZINC000999143359 706556686 /nfs/dbraw/zinc/55/66/86/706556686.db2.gz GIRZPYATXDHLFR-IRXDYDNUSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nc1 ZINC000999143359 706556688 /nfs/dbraw/zinc/55/66/88/706556688.db2.gz GIRZPYATXDHLFR-IRXDYDNUSA-N 2 1 345.491 1.738 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999146077 706559987 /nfs/dbraw/zinc/55/99/87/706559987.db2.gz UWKWGBGMXMIHDU-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)s1 ZINC000999320495 706820723 /nfs/dbraw/zinc/82/07/23/706820723.db2.gz ZQPBHUKUCHWGRZ-AWEZNQCLSA-N 2 1 333.461 1.888 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)s1 ZINC000999375927 706870107 /nfs/dbraw/zinc/87/01/07/706870107.db2.gz TYGDXEURXLVMFF-ZFWWWQNUSA-N 2 1 337.493 1.267 20 0 EDADMP Cc1cnc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)cn1 ZINC000999377916 706872066 /nfs/dbraw/zinc/87/20/66/706872066.db2.gz ONXKHFNSFJASTR-JKSUJKDBSA-N 2 1 345.491 1.911 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)oc1C ZINC000999363431 706877029 /nfs/dbraw/zinc/87/70/29/706877029.db2.gz HNFCPKQAHWYVLA-HNNXBMFYSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)oc1C ZINC000999363431 706877031 /nfs/dbraw/zinc/87/70/31/706877031.db2.gz HNFCPKQAHWYVLA-HNNXBMFYSA-N 2 1 334.464 1.856 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1)C1CCC1 ZINC000999366394 706879935 /nfs/dbraw/zinc/87/99/35/706879935.db2.gz XWJCZIOWRNFIMD-INIZCTEOSA-N 2 1 334.439 1.786 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1)C1CCC1 ZINC000999372570 706887085 /nfs/dbraw/zinc/88/70/85/706887085.db2.gz CIASUBSSNDSIRS-OAHLLOKOSA-N 2 1 345.491 1.394 20 0 EDADMP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1 ZINC000999401921 706909637 /nfs/dbraw/zinc/90/96/37/706909637.db2.gz AYPSDTCYIYZQAB-HPUBIQBYSA-N 2 1 346.475 1.511 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC000999406830 706916023 /nfs/dbraw/zinc/91/60/23/706916023.db2.gz ACIQZKVZJFHJNR-NFOMZHRRSA-N 2 1 349.479 1.614 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC000999406830 706916025 /nfs/dbraw/zinc/91/60/25/706916025.db2.gz ACIQZKVZJFHJNR-NFOMZHRRSA-N 2 1 349.479 1.614 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000999505894 707003350 /nfs/dbraw/zinc/00/33/50/707003350.db2.gz MSYVEFXGVYVCSI-DAWZGUTISA-N 2 1 347.507 1.725 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnnn2C)C1 ZINC000999505897 707003532 /nfs/dbraw/zinc/00/35/32/707003532.db2.gz MTVOLYOBLHNBSK-DQPZFDDXSA-N 2 1 348.495 1.157 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999506214 707003612 /nfs/dbraw/zinc/00/36/12/707003612.db2.gz PDJNAGFXKGQFEY-HTWSVDAQSA-N 2 1 347.507 1.762 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)ncn1 ZINC000999510763 707009387 /nfs/dbraw/zinc/00/93/87/707009387.db2.gz LYIRYMMUPCLFSJ-WBVHZDCISA-N 2 1 331.464 1.350 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)on1 ZINC000999511864 707010562 /nfs/dbraw/zinc/01/05/62/707010562.db2.gz MYCBIBLIQBHFSZ-UKRRQHHQSA-N 2 1 336.436 1.248 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000999515015 707014084 /nfs/dbraw/zinc/01/40/84/707014084.db2.gz WVVXRKIAQAIXFS-DLBZAZTESA-N 2 1 334.439 1.786 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1)C(N)=O ZINC000999558159 707055884 /nfs/dbraw/zinc/05/58/84/707055884.db2.gz SXGCKEJCDQTZTA-ZIAGYGMSSA-N 2 1 338.496 1.094 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000999573983 707080462 /nfs/dbraw/zinc/08/04/62/707080462.db2.gz LPQMZHAMIDRWAI-DOTOQJQBSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000999573983 707080465 /nfs/dbraw/zinc/08/04/65/707080465.db2.gz LPQMZHAMIDRWAI-DOTOQJQBSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3cnon3)C2)CC1 ZINC000999631577 707157553 /nfs/dbraw/zinc/15/75/53/707157553.db2.gz NKMCSKOTWYPNFN-UHFFFAOYSA-N 2 1 335.452 1.269 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC(NCc2ncc(C3CC3)o2)C1 ZINC000999682372 707167860 /nfs/dbraw/zinc/16/78/60/707167860.db2.gz OWRUUDREADDNTN-JEYLPNPQSA-N 2 1 346.475 1.973 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000999682372 707167865 /nfs/dbraw/zinc/16/78/65/707167865.db2.gz OWRUUDREADDNTN-JEYLPNPQSA-N 2 1 346.475 1.973 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000999682372 707167869 /nfs/dbraw/zinc/16/78/69/707167869.db2.gz OWRUUDREADDNTN-JEYLPNPQSA-N 2 1 346.475 1.973 20 0 EDADMP Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999682669 707168675 /nfs/dbraw/zinc/16/86/75/707168675.db2.gz RSFDIIDGIHNZJD-KLAILNCOSA-N 2 1 330.476 1.811 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)cc1 ZINC001033265446 707289040 /nfs/dbraw/zinc/28/90/40/707289040.db2.gz HHQSXCRQLBZNQC-KRWDZBQOSA-N 2 1 342.443 1.933 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)cc1 ZINC001033265446 707289045 /nfs/dbraw/zinc/28/90/45/707289045.db2.gz HHQSXCRQLBZNQC-KRWDZBQOSA-N 2 1 342.443 1.933 20 0 EDADMP CO[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1)C1CCCC1 ZINC001033267007 707295251 /nfs/dbraw/zinc/29/52/51/707295251.db2.gz SGZDOWXOGSKMPI-ROUUACIJSA-N 2 1 348.491 1.929 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1)C1CCCC1 ZINC001033267007 707295253 /nfs/dbraw/zinc/29/52/53/707295253.db2.gz SGZDOWXOGSKMPI-ROUUACIJSA-N 2 1 348.491 1.929 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCO)C[C@H]3CC2)CC[N@H+]1C ZINC000946735743 707300591 /nfs/dbraw/zinc/30/05/91/707300591.db2.gz OAKWDBHMCBHVJM-XLAORIBOSA-N 2 1 337.508 1.270 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]3CC2)CC[NH+]1C ZINC000946735743 707300593 /nfs/dbraw/zinc/30/05/93/707300593.db2.gz OAKWDBHMCBHVJM-XLAORIBOSA-N 2 1 337.508 1.270 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCCO)C[C@H]3CC2)CC[NH+]1C ZINC000946735743 707300599 /nfs/dbraw/zinc/30/05/99/707300599.db2.gz OAKWDBHMCBHVJM-XLAORIBOSA-N 2 1 337.508 1.270 20 0 EDADMP Cc1cnc(CN[C@H]2CCCN(C(=O)CCc3nccn3C)C2)cn1 ZINC000999778213 707339381 /nfs/dbraw/zinc/33/93/81/707339381.db2.gz VXWDHXMAWFCCRN-HNNXBMFYSA-N 2 1 342.447 1.232 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000999838887 707411029 /nfs/dbraw/zinc/41/10/29/707411029.db2.gz YIIKTZVCYGPHCF-IYXRBSQSSA-N 2 1 335.452 1.053 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999838887 707411031 /nfs/dbraw/zinc/41/10/31/707411031.db2.gz YIIKTZVCYGPHCF-IYXRBSQSSA-N 2 1 335.452 1.053 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295740 707422422 /nfs/dbraw/zinc/42/24/22/707422422.db2.gz MQQYQRFBHSHUHY-ROUUACIJSA-N 2 1 346.475 1.890 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295740 707422426 /nfs/dbraw/zinc/42/24/26/707422426.db2.gz MQQYQRFBHSHUHY-ROUUACIJSA-N 2 1 346.475 1.890 20 0 EDADMP COc1ncccc1CN1CC[C@@H](N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001033199814 707453939 /nfs/dbraw/zinc/45/39/39/707453939.db2.gz YUOLECTVXAKNHO-IAGOWNOFSA-N 2 1 346.475 1.607 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC000999971562 707581964 /nfs/dbraw/zinc/58/19/64/707581964.db2.gz BVZSWXOQRTVFRO-QZTJIDSGSA-N 2 1 347.507 1.586 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC000999974983 707588832 /nfs/dbraw/zinc/58/88/32/707588832.db2.gz QTNYYEWYYKUDDY-GJZGRUSLSA-N 2 1 335.452 1.272 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC000999974983 707588836 /nfs/dbraw/zinc/58/88/36/707588836.db2.gz QTNYYEWYYKUDDY-GJZGRUSLSA-N 2 1 335.452 1.272 20 0 EDADMP C[C@@H]([NH2+]Cc1ncnn1C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004930363 707678544 /nfs/dbraw/zinc/67/85/44/707678544.db2.gz TVEOIIUSCYMQFF-GDBMZVCRSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033389571 707759914 /nfs/dbraw/zinc/75/99/14/707759914.db2.gz CXHKMQCPUFSYAD-KRWDZBQOSA-N 2 1 330.476 1.765 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]2CC1)[NH+](C)C ZINC000946765088 707766662 /nfs/dbraw/zinc/76/66/62/707766662.db2.gz HXDMHHDZUNVSGQ-MWDXBVQZSA-N 2 1 325.497 1.124 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCOc3ccccc3)C2)C1 ZINC001033415442 707792127 /nfs/dbraw/zinc/79/21/27/707792127.db2.gz IQTMRCPAAAKZCN-ZWKOTPCHSA-N 2 1 345.487 1.940 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCOc3ccccc3)C2)C1 ZINC001033415442 707792131 /nfs/dbraw/zinc/79/21/31/707792131.db2.gz IQTMRCPAAAKZCN-ZWKOTPCHSA-N 2 1 345.487 1.940 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCOc3ccccc3)C2)C1 ZINC001033415442 707792134 /nfs/dbraw/zinc/79/21/34/707792134.db2.gz IQTMRCPAAAKZCN-ZWKOTPCHSA-N 2 1 345.487 1.940 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)n1 ZINC001033418028 707801518 /nfs/dbraw/zinc/80/15/18/707801518.db2.gz ZGOGLTIYFZBEQL-RDJZCZTQSA-N 2 1 346.475 1.607 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)n1 ZINC001033418028 707801523 /nfs/dbraw/zinc/80/15/23/707801523.db2.gz ZGOGLTIYFZBEQL-RDJZCZTQSA-N 2 1 346.475 1.607 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC001033418028 707801526 /nfs/dbraw/zinc/80/15/26/707801526.db2.gz ZGOGLTIYFZBEQL-RDJZCZTQSA-N 2 1 346.475 1.607 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC001033418028 707801530 /nfs/dbraw/zinc/80/15/30/707801530.db2.gz ZGOGLTIYFZBEQL-RDJZCZTQSA-N 2 1 346.475 1.607 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033424507 707835827 /nfs/dbraw/zinc/83/58/27/707835827.db2.gz CTUAKSGIWBBMMG-HNNXBMFYSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033424507 707835828 /nfs/dbraw/zinc/83/58/28/707835828.db2.gz CTUAKSGIWBBMMG-HNNXBMFYSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1ncoc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033424507 707835830 /nfs/dbraw/zinc/83/58/30/707835830.db2.gz CTUAKSGIWBBMMG-HNNXBMFYSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1ncoc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033424507 707835833 /nfs/dbraw/zinc/83/58/33/707835833.db2.gz CTUAKSGIWBBMMG-HNNXBMFYSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)o1 ZINC001033425334 707844264 /nfs/dbraw/zinc/84/42/64/707844264.db2.gz WFZHNASTYBXVCH-XJKSGUPXSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)o1 ZINC001033425334 707844267 /nfs/dbraw/zinc/84/42/67/707844267.db2.gz WFZHNASTYBXVCH-XJKSGUPXSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)o1 ZINC001033425334 707844269 /nfs/dbraw/zinc/84/42/69/707844269.db2.gz WFZHNASTYBXVCH-XJKSGUPXSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)o1 ZINC001033425334 707844272 /nfs/dbraw/zinc/84/42/72/707844272.db2.gz WFZHNASTYBXVCH-XJKSGUPXSA-N 2 1 334.464 1.808 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001033229857 707889001 /nfs/dbraw/zinc/88/90/01/707889001.db2.gz WUGYKPQRWVLTGE-IRXDYDNUSA-N 2 1 335.492 1.574 20 0 EDADMP Cn1ccc(-c2nc(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)cs2)n1 ZINC000921720963 707904228 /nfs/dbraw/zinc/90/42/28/707904228.db2.gz MYOLDFZYDCIJKO-OAHLLOKOSA-N 2 1 349.504 1.870 20 0 EDADMP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475314 707964882 /nfs/dbraw/zinc/96/48/82/707964882.db2.gz OKIAUGPJFBSVDH-NVXWUHKLSA-N 2 1 345.491 1.802 20 0 EDADMP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475314 707964885 /nfs/dbraw/zinc/96/48/85/707964885.db2.gz OKIAUGPJFBSVDH-NVXWUHKLSA-N 2 1 345.491 1.802 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001005183454 708133938 /nfs/dbraw/zinc/13/39/38/708133938.db2.gz IPFJWCLRBPZCST-GJZGRUSLSA-N 2 1 345.434 1.428 20 0 EDADMP O=C(NCC1CC[NH+](Cc2ccon2)CC1)C12CCC[NH+]1CCC2 ZINC001001581577 708167552 /nfs/dbraw/zinc/16/75/52/708167552.db2.gz AERRIPVFGNWWBA-UHFFFAOYSA-N 2 1 332.448 1.631 20 0 EDADMP CN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033575349 708249668 /nfs/dbraw/zinc/24/96/68/708249668.db2.gz QVOKJKRTFHTQII-IEBWSBKVSA-N 2 1 349.519 1.678 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001033582092 708264358 /nfs/dbraw/zinc/26/43/58/708264358.db2.gz NZLWFBSTKGLEBS-FUHWJXTLSA-N 2 1 347.507 1.320 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033582092 708264360 /nfs/dbraw/zinc/26/43/60/708264360.db2.gz NZLWFBSTKGLEBS-FUHWJXTLSA-N 2 1 347.507 1.320 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033582092 708264362 /nfs/dbraw/zinc/26/43/62/708264362.db2.gz NZLWFBSTKGLEBS-FUHWJXTLSA-N 2 1 347.507 1.320 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3cncn3C)CC2)CC[N@H+]1C ZINC001001763147 708285933 /nfs/dbraw/zinc/28/59/33/708285933.db2.gz YCVFHAUIEQDNCG-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001033594540 708296758 /nfs/dbraw/zinc/29/67/58/708296758.db2.gz NGWSDVDIHUFORJ-WBVHZDCISA-N 2 1 331.464 1.160 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001033594540 708296759 /nfs/dbraw/zinc/29/67/59/708296759.db2.gz NGWSDVDIHUFORJ-WBVHZDCISA-N 2 1 331.464 1.160 20 0 EDADMP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033594540 708296760 /nfs/dbraw/zinc/29/67/60/708296760.db2.gz NGWSDVDIHUFORJ-WBVHZDCISA-N 2 1 331.464 1.160 20 0 EDADMP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033594540 708296761 /nfs/dbraw/zinc/29/67/61/708296761.db2.gz NGWSDVDIHUFORJ-WBVHZDCISA-N 2 1 331.464 1.160 20 0 EDADMP CCc1noc(CN2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001001824484 708327198 /nfs/dbraw/zinc/32/71/98/708327198.db2.gz IHLXDFSFWIZJKG-UKRRQHHQSA-N 2 1 349.479 1.158 20 0 EDADMP CCn1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001001825353 708327691 /nfs/dbraw/zinc/32/76/91/708327691.db2.gz LYSQZWFRQPPIKQ-YJBOKZPZSA-N 2 1 347.507 1.429 20 0 EDADMP CCn1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001001825353 708327695 /nfs/dbraw/zinc/32/76/95/708327695.db2.gz LYSQZWFRQPPIKQ-YJBOKZPZSA-N 2 1 347.507 1.429 20 0 EDADMP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC001001826236 708328494 /nfs/dbraw/zinc/32/84/94/708328494.db2.gz TZYRNKZKRXJZFL-CXAGYDPISA-N 2 1 334.464 1.509 20 0 EDADMP Cc1nc[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001033615907 708341307 /nfs/dbraw/zinc/34/13/07/708341307.db2.gz DAIZWFSVSVJYGH-JKSUJKDBSA-N 2 1 334.464 1.610 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]cnc2C)C1)C1CCC1 ZINC001033615912 708341682 /nfs/dbraw/zinc/34/16/82/708341682.db2.gz DBZOTAXNIMBDOX-RDJZCZTQSA-N 2 1 334.464 1.608 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033665610 708449081 /nfs/dbraw/zinc/44/90/81/708449081.db2.gz QBPITENMTQSVCP-HOCLYGCPSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033665610 708449082 /nfs/dbraw/zinc/44/90/82/708449082.db2.gz QBPITENMTQSVCP-HOCLYGCPSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001033665610 708449085 /nfs/dbraw/zinc/44/90/85/708449085.db2.gz QBPITENMTQSVCP-HOCLYGCPSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033665610 708449086 /nfs/dbraw/zinc/44/90/86/708449086.db2.gz QBPITENMTQSVCP-HOCLYGCPSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001033666789 708452387 /nfs/dbraw/zinc/45/23/87/708452387.db2.gz ZJZDOKOVXSFXEY-IAGOWNOFSA-N 2 1 331.460 1.680 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033666789 708452390 /nfs/dbraw/zinc/45/23/90/708452390.db2.gz ZJZDOKOVXSFXEY-IAGOWNOFSA-N 2 1 331.460 1.680 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033666789 708452392 /nfs/dbraw/zinc/45/23/92/708452392.db2.gz ZJZDOKOVXSFXEY-IAGOWNOFSA-N 2 1 331.460 1.680 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001033667043 708453349 /nfs/dbraw/zinc/45/33/49/708453349.db2.gz CVJUJXPZOPNNHE-IRXDYDNUSA-N 2 1 334.464 1.541 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001033667043 708453351 /nfs/dbraw/zinc/45/33/51/708453351.db2.gz CVJUJXPZOPNNHE-IRXDYDNUSA-N 2 1 334.464 1.541 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033659223 708470803 /nfs/dbraw/zinc/47/08/03/708470803.db2.gz WILKZONSQBNDHK-GOSISDBHSA-N 2 1 331.460 1.307 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001033661813 708475891 /nfs/dbraw/zinc/47/58/91/708475891.db2.gz MOGMWPPEWJXJEM-IAGOWNOFSA-N 2 1 347.507 1.623 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001033661813 708475893 /nfs/dbraw/zinc/47/58/93/708475893.db2.gz MOGMWPPEWJXJEM-IAGOWNOFSA-N 2 1 347.507 1.623 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001033661813 708475897 /nfs/dbraw/zinc/47/58/97/708475897.db2.gz MOGMWPPEWJXJEM-IAGOWNOFSA-N 2 1 347.507 1.623 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001033661813 708475899 /nfs/dbraw/zinc/47/58/99/708475899.db2.gz MOGMWPPEWJXJEM-IAGOWNOFSA-N 2 1 347.507 1.623 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033686723 708501309 /nfs/dbraw/zinc/50/13/09/708501309.db2.gz SLIIDHFQFKLIRL-SJORKVTESA-N 2 1 333.480 1.327 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033686723 708501311 /nfs/dbraw/zinc/50/13/11/708501311.db2.gz SLIIDHFQFKLIRL-SJORKVTESA-N 2 1 333.480 1.327 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033686723 708501315 /nfs/dbraw/zinc/50/13/15/708501315.db2.gz SLIIDHFQFKLIRL-SJORKVTESA-N 2 1 333.480 1.327 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033686723 708501318 /nfs/dbraw/zinc/50/13/18/708501318.db2.gz SLIIDHFQFKLIRL-SJORKVTESA-N 2 1 333.480 1.327 20 0 EDADMP CCn1ccnc1C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002044092 708535061 /nfs/dbraw/zinc/53/50/61/708535061.db2.gz YTHCRXFCQHRGMW-UHFFFAOYSA-N 2 1 345.491 1.327 20 0 EDADMP Cc1csc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001002121687 708635706 /nfs/dbraw/zinc/63/57/06/708635706.db2.gz VISAJAKXCMWXCO-HNNXBMFYSA-N 2 1 336.505 1.731 20 0 EDADMP Cc1csc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001002121687 708635709 /nfs/dbraw/zinc/63/57/09/708635709.db2.gz VISAJAKXCMWXCO-HNNXBMFYSA-N 2 1 336.505 1.731 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2ccns2)C1 ZINC001033838211 708867603 /nfs/dbraw/zinc/86/76/03/708867603.db2.gz MASFYONPDYSVSP-IIAWOOMASA-N 2 1 336.505 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001033838211 708867605 /nfs/dbraw/zinc/86/76/05/708867605.db2.gz MASFYONPDYSVSP-IIAWOOMASA-N 2 1 336.505 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001033838211 708867607 /nfs/dbraw/zinc/86/76/07/708867607.db2.gz MASFYONPDYSVSP-IIAWOOMASA-N 2 1 336.505 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccns2)C1 ZINC001033838211 708867609 /nfs/dbraw/zinc/86/76/09/708867609.db2.gz MASFYONPDYSVSP-IIAWOOMASA-N 2 1 336.505 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccns2)C1 ZINC001033838211 708867612 /nfs/dbraw/zinc/86/76/12/708867612.db2.gz MASFYONPDYSVSP-IIAWOOMASA-N 2 1 336.505 1.906 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](Cc3ccnn3C)C2)CC[N@@H+]1C ZINC001033839997 708871357 /nfs/dbraw/zinc/87/13/57/708871357.db2.gz YACLFVCQKDUSIV-OKZBNKHCSA-N 2 1 347.507 1.573 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](Cc3ccnn3C)C2)CC[N@H+]1C ZINC001033839997 708871363 /nfs/dbraw/zinc/87/13/63/708871363.db2.gz YACLFVCQKDUSIV-OKZBNKHCSA-N 2 1 347.507 1.573 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](Cc3ccnn3C)C2)CC[NH+]1C ZINC001033839997 708871366 /nfs/dbraw/zinc/87/13/66/708871366.db2.gz YACLFVCQKDUSIV-OKZBNKHCSA-N 2 1 347.507 1.573 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccnn3C)C2)CC[NH+]1C ZINC001033839997 708871370 /nfs/dbraw/zinc/87/13/70/708871370.db2.gz YACLFVCQKDUSIV-OKZBNKHCSA-N 2 1 347.507 1.573 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC001005407766 708911538 /nfs/dbraw/zinc/91/15/38/708911538.db2.gz TYTXZFBWVBEWKK-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP CN(C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)C1CC[NH+](CCCO)CC1 ZINC001005406830 708936619 /nfs/dbraw/zinc/93/66/19/708936619.db2.gz GYUXOZNEWWRVGP-QGZVFWFLSA-N 2 1 349.479 1.095 20 0 EDADMP CN(C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)C1CC[NH+](CCCO)CC1 ZINC001005406830 708936620 /nfs/dbraw/zinc/93/66/20/708936620.db2.gz GYUXOZNEWWRVGP-QGZVFWFLSA-N 2 1 349.479 1.095 20 0 EDADMP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001005426340 708978303 /nfs/dbraw/zinc/97/83/03/708978303.db2.gz SHIRKFOGGZBJDF-ROUUACIJSA-N 2 1 335.492 1.739 20 0 EDADMP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@H+]([C@H](C)COC)C1 ZINC001033884309 708988060 /nfs/dbraw/zinc/98/80/60/708988060.db2.gz YPVKFSNEUOJEIU-GDBMZVCRSA-N 2 1 330.432 1.906 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)C1 ZINC001002533461 709091033 /nfs/dbraw/zinc/09/10/33/709091033.db2.gz LSFUHYJXFMPCFS-ZFWWWQNUSA-N 2 1 345.434 1.333 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)C1 ZINC001002533461 709091035 /nfs/dbraw/zinc/09/10/35/709091035.db2.gz LSFUHYJXFMPCFS-ZFWWWQNUSA-N 2 1 345.434 1.333 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC001034040917 709288858 /nfs/dbraw/zinc/28/88/58/709288858.db2.gz ZPYQQBZRTUEUHP-JKSUJKDBSA-N 2 1 334.464 1.666 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2c(C)noc2C)C1 ZINC001034040917 709288859 /nfs/dbraw/zinc/28/88/59/709288859.db2.gz ZPYQQBZRTUEUHP-JKSUJKDBSA-N 2 1 334.464 1.666 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2c(C)noc2C)C1 ZINC001034040917 709288860 /nfs/dbraw/zinc/28/88/60/709288860.db2.gz ZPYQQBZRTUEUHP-JKSUJKDBSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1oncc1C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002811713 709417718 /nfs/dbraw/zinc/41/77/18/709417718.db2.gz QQUFCTIYIJAZBH-YJBOKZPZSA-N 2 1 346.475 1.938 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCCOC3)CC2)CC[N@H+]1C ZINC001002859278 709466905 /nfs/dbraw/zinc/46/69/05/709466905.db2.gz OQDBYHOKWNVQLJ-RYQLBKOJSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cncn2)C1 ZINC001034202728 709524531 /nfs/dbraw/zinc/52/45/31/709524531.db2.gz ANHMJXJAKQLUIR-IRXDYDNUSA-N 2 1 348.495 1.122 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCn2cncn2)C1 ZINC001034202728 709524534 /nfs/dbraw/zinc/52/45/34/709524534.db2.gz ANHMJXJAKQLUIR-IRXDYDNUSA-N 2 1 348.495 1.122 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCn2cncn2)C1 ZINC001034202728 709524536 /nfs/dbraw/zinc/52/45/36/709524536.db2.gz ANHMJXJAKQLUIR-IRXDYDNUSA-N 2 1 348.495 1.122 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CCOCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034210794 709561492 /nfs/dbraw/zinc/56/14/92/709561492.db2.gz JRCOXHNKCLJQKH-MOPGFXCFSA-N 2 1 349.519 1.726 20 0 EDADMP Cc1c(C(=O)N[C@H]2CCCC[N@@H+]([C@H](C)C(N)=O)C2)ccc2c[nH+]cn21 ZINC001034284569 709686174 /nfs/dbraw/zinc/68/61/74/709686174.db2.gz MBCXIPNJMVGHNF-KGLIPLIRSA-N 2 1 343.431 1.101 20 0 EDADMP Cc1c(C(=O)N[C@H]2CCCC[N@H+]([C@H](C)C(N)=O)C2)ccc2c[nH+]cn21 ZINC001034284569 709686180 /nfs/dbraw/zinc/68/61/80/709686180.db2.gz MBCXIPNJMVGHNF-KGLIPLIRSA-N 2 1 343.431 1.101 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCO)C1 ZINC001034285294 709687723 /nfs/dbraw/zinc/68/77/23/709687723.db2.gz BMGQQJQNNDSCHZ-DLBZAZTESA-N 2 1 325.497 1.460 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034285294 709687727 /nfs/dbraw/zinc/68/77/27/709687727.db2.gz BMGQQJQNNDSCHZ-DLBZAZTESA-N 2 1 325.497 1.460 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1 ZINC001034285294 709687732 /nfs/dbraw/zinc/68/77/32/709687732.db2.gz BMGQQJQNNDSCHZ-DLBZAZTESA-N 2 1 325.497 1.460 20 0 EDADMP C[C@@H]1[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000702613574 709704607 /nfs/dbraw/zinc/70/46/07/709704607.db2.gz GOJXXHPDYHOSKE-JKIFEVAISA-N 2 1 327.469 1.431 20 0 EDADMP C[C@@H]1[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000702613574 709704609 /nfs/dbraw/zinc/70/46/09/709704609.db2.gz GOJXXHPDYHOSKE-JKIFEVAISA-N 2 1 327.469 1.431 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000702626972 709704750 /nfs/dbraw/zinc/70/47/50/709704750.db2.gz WUOJJFZFQOETAS-SFHVURJKSA-N 2 1 341.496 1.680 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000702626972 709704752 /nfs/dbraw/zinc/70/47/52/709704752.db2.gz WUOJJFZFQOETAS-SFHVURJKSA-N 2 1 341.496 1.680 20 0 EDADMP C[C@@H](c1cnccn1)[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386892 709915674 /nfs/dbraw/zinc/91/56/74/709915674.db2.gz VAOIVEUMCJMPNR-RDJZCZTQSA-N 2 1 345.491 1.850 20 0 EDADMP C[C@@H](c1cnccn1)[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386892 709915677 /nfs/dbraw/zinc/91/56/77/709915677.db2.gz VAOIVEUMCJMPNR-RDJZCZTQSA-N 2 1 345.491 1.850 20 0 EDADMP COCC[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034397334 709938053 /nfs/dbraw/zinc/93/80/53/709938053.db2.gz KHNOQWMFQLYBNS-CRAIPNDOSA-N 2 1 343.487 1.816 20 0 EDADMP COCC[NH+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034397334 709938055 /nfs/dbraw/zinc/93/80/55/709938055.db2.gz KHNOQWMFQLYBNS-CRAIPNDOSA-N 2 1 343.487 1.816 20 0 EDADMP COCC[NH+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034397334 709938057 /nfs/dbraw/zinc/93/80/57/709938057.db2.gz KHNOQWMFQLYBNS-CRAIPNDOSA-N 2 1 343.487 1.816 20 0 EDADMP COCC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444945 709989244 /nfs/dbraw/zinc/98/92/44/709989244.db2.gz NSBOHXGPEUGWNR-SFHVURJKSA-N 2 1 333.476 1.979 20 0 EDADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[N@@H+](CCn3cccn3)C2)CC1 ZINC001034431824 709999945 /nfs/dbraw/zinc/99/99/45/709999945.db2.gz PCXRCLAYFBPXSZ-GOSISDBHSA-N 2 1 347.507 1.586 20 0 EDADMP C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478868 710087685 /nfs/dbraw/zinc/08/76/85/710087685.db2.gz PMEZMDUYZDJNEB-QAPCUYQASA-N 2 1 337.508 1.460 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCO)C1 ZINC001034482119 710106497 /nfs/dbraw/zinc/10/64/97/710106497.db2.gz ZTNPYSMTDZMBKF-MSOLQXFVSA-N 2 1 339.524 1.994 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1 ZINC001034482119 710106501 /nfs/dbraw/zinc/10/65/01/710106501.db2.gz ZTNPYSMTDZMBKF-MSOLQXFVSA-N 2 1 339.524 1.994 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1 ZINC001034482119 710106502 /nfs/dbraw/zinc/10/65/02/710106502.db2.gz ZTNPYSMTDZMBKF-MSOLQXFVSA-N 2 1 339.524 1.994 20 0 EDADMP Cc1cncc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001034525384 710174988 /nfs/dbraw/zinc/17/49/88/710174988.db2.gz LRPKGMFYFVWHBE-MSOLQXFVSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1cncc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001034525384 710174989 /nfs/dbraw/zinc/17/49/89/710174989.db2.gz LRPKGMFYFVWHBE-MSOLQXFVSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1cncc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001034525384 710174990 /nfs/dbraw/zinc/17/49/90/710174990.db2.gz LRPKGMFYFVWHBE-MSOLQXFVSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001034530106 710186558 /nfs/dbraw/zinc/18/65/58/710186558.db2.gz SREYLZGTQJGBTO-IRXDYDNUSA-N 2 1 334.464 1.589 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001034530106 710186561 /nfs/dbraw/zinc/18/65/61/710186561.db2.gz SREYLZGTQJGBTO-IRXDYDNUSA-N 2 1 334.464 1.589 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC001061266005 710362195 /nfs/dbraw/zinc/36/21/95/710362195.db2.gz LCEDQBOQAUMMIJ-PBHICJAKSA-N 2 1 345.491 1.862 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC001061266005 710362197 /nfs/dbraw/zinc/36/21/97/710362197.db2.gz LCEDQBOQAUMMIJ-PBHICJAKSA-N 2 1 345.491 1.862 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC001003544596 710412605 /nfs/dbraw/zinc/41/26/05/710412605.db2.gz QKVFWZLOPJMQMJ-UHFFFAOYSA-N 2 1 346.475 1.513 20 0 EDADMP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CCCc2[nH]cnc21 ZINC001003604923 710445568 /nfs/dbraw/zinc/44/55/68/710445568.db2.gz BZFSNDYZPBYYKW-MRXNPFEDSA-N 2 1 346.475 1.837 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003626111 710455177 /nfs/dbraw/zinc/45/51/77/710455177.db2.gz MGOKDYXUPYUUSH-CABCVRRESA-N 2 1 331.464 1.460 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003626111 710455180 /nfs/dbraw/zinc/45/51/80/710455180.db2.gz MGOKDYXUPYUUSH-CABCVRRESA-N 2 1 331.464 1.460 20 0 EDADMP CO[C@H](C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1)C1CCC1 ZINC001003628479 710458188 /nfs/dbraw/zinc/45/81/88/710458188.db2.gz QKKGOXUDDDXPKB-MAUKXSAKSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001003636914 710466945 /nfs/dbraw/zinc/46/69/45/710466945.db2.gz YNPWLFDERGQYTR-GUYCJALGSA-N 2 1 334.439 1.499 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001003636914 710466946 /nfs/dbraw/zinc/46/69/46/710466946.db2.gz YNPWLFDERGQYTR-GUYCJALGSA-N 2 1 334.439 1.499 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003741178 710515974 /nfs/dbraw/zinc/51/59/74/710515974.db2.gz OVGDOOPFCSWVJY-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034674439 710622726 /nfs/dbraw/zinc/62/27/26/710622726.db2.gz PNSXVMUGPDBICN-JYJNAYRXSA-N 2 1 331.464 1.478 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034675245 710627296 /nfs/dbraw/zinc/62/72/96/710627296.db2.gz YJFBBMGRYMJNJW-BRSBDYLESA-N 2 1 337.508 1.914 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034690899 710763110 /nfs/dbraw/zinc/76/31/10/710763110.db2.gz CDICJMPERYVCSM-SHTZXODSSA-N 2 1 330.436 1.142 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC001034733839 710914453 /nfs/dbraw/zinc/91/44/53/710914453.db2.gz DVACGUBOKFCKCB-BPUTZDHNSA-N 2 1 334.464 1.842 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001034734795 710917976 /nfs/dbraw/zinc/91/79/76/710917976.db2.gz ZDSKJQOYZHPUDS-DJIMGWMZSA-N 2 1 345.491 1.644 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)o1 ZINC001034735354 710919959 /nfs/dbraw/zinc/91/99/59/710919959.db2.gz FTMHBURREKTZFJ-SHTZXODSSA-N 2 1 349.479 1.627 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)o1 ZINC001034735354 710919962 /nfs/dbraw/zinc/91/99/62/710919962.db2.gz FTMHBURREKTZFJ-SHTZXODSSA-N 2 1 349.479 1.627 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC001034739147 710933040 /nfs/dbraw/zinc/93/30/40/710933040.db2.gz YJTLSPLLAFFKMN-MIGQKNRLSA-N 2 1 334.464 1.698 20 0 EDADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)[C@@H](c2ccccc2)C1 ZINC001034743056 710944268 /nfs/dbraw/zinc/94/42/68/710944268.db2.gz PJSQZJZXDJFSST-MKXGPGLRSA-N 2 1 345.487 1.341 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC001034736956 710947730 /nfs/dbraw/zinc/94/77/30/710947730.db2.gz FJDFMWYKTYQACK-NGFQHRJXSA-N 2 1 335.452 1.093 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC001034736956 710947731 /nfs/dbraw/zinc/94/77/31/710947731.db2.gz FJDFMWYKTYQACK-NGFQHRJXSA-N 2 1 335.452 1.093 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCc2cnn(C)c2)CC1 ZINC001034736978 710947983 /nfs/dbraw/zinc/94/79/83/710947983.db2.gz FXNSHWASCVFXGG-VDHUWJSZSA-N 2 1 347.507 1.177 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC001034737824 710951133 /nfs/dbraw/zinc/95/11/33/710951133.db2.gz NOTDHDFWROVUSB-MBGYTDRXSA-N 2 1 345.491 1.500 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC001032960206 710968299 /nfs/dbraw/zinc/96/82/99/710968299.db2.gz OXRZWTCUHLFWSF-WBVHZDCISA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCOc2ccccc2F)C1 ZINC001032960206 710968302 /nfs/dbraw/zinc/96/83/02/710968302.db2.gz OXRZWTCUHLFWSF-WBVHZDCISA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC001032960206 710968303 /nfs/dbraw/zinc/96/83/03/710968303.db2.gz OXRZWTCUHLFWSF-WBVHZDCISA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC001032960206 710968305 /nfs/dbraw/zinc/96/83/05/710968305.db2.gz OXRZWTCUHLFWSF-WBVHZDCISA-N 2 1 349.450 1.831 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032958948 710982035 /nfs/dbraw/zinc/98/20/35/710982035.db2.gz CKBINHXGGNABLW-GJZGRUSLSA-N 2 1 336.505 1.621 20 0 EDADMP Cc1ncsc1CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032958948 710982038 /nfs/dbraw/zinc/98/20/38/710982038.db2.gz CKBINHXGGNABLW-GJZGRUSLSA-N 2 1 336.505 1.621 20 0 EDADMP Cc1ncsc1CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032958948 710982040 /nfs/dbraw/zinc/98/20/40/710982040.db2.gz CKBINHXGGNABLW-GJZGRUSLSA-N 2 1 336.505 1.621 20 0 EDADMP COCc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001032969391 711047783 /nfs/dbraw/zinc/04/77/83/711047783.db2.gz WKIHRVBEJKZZDT-OALUTQOASA-N 2 1 345.487 1.960 20 0 EDADMP COCc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001032969391 711047787 /nfs/dbraw/zinc/04/77/87/711047787.db2.gz WKIHRVBEJKZZDT-OALUTQOASA-N 2 1 345.487 1.960 20 0 EDADMP COCc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001032969391 711047791 /nfs/dbraw/zinc/04/77/91/711047791.db2.gz WKIHRVBEJKZZDT-OALUTQOASA-N 2 1 345.487 1.960 20 0 EDADMP Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034776770 711053905 /nfs/dbraw/zinc/05/39/05/711053905.db2.gz YXBQYVRHPJMBAV-TUUVXOQKSA-N 2 1 349.479 1.798 20 0 EDADMP Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034776770 711053908 /nfs/dbraw/zinc/05/39/08/711053908.db2.gz YXBQYVRHPJMBAV-TUUVXOQKSA-N 2 1 349.479 1.798 20 0 EDADMP Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001034778232 711079701 /nfs/dbraw/zinc/07/97/01/711079701.db2.gz GBAFXNQTKYFYDU-XIRDDKMYSA-N 2 1 333.480 1.279 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001005713559 711106650 /nfs/dbraw/zinc/10/66/50/711106650.db2.gz NEVCOVGWJNYDRW-QGZVFWFLSA-N 2 1 334.464 1.683 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2cc(C)ncn2)CC1 ZINC001034795231 711113075 /nfs/dbraw/zinc/11/30/75/711113075.db2.gz XFBZPCRGFZDLPD-WKILWMFISA-N 2 1 342.447 1.507 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034791895 711117380 /nfs/dbraw/zinc/11/73/80/711117380.db2.gz XEQZNHOXYKBCCP-BZUAXINKSA-N 2 1 331.464 1.254 20 0 EDADMP Cc1ncsc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034791902 711117688 /nfs/dbraw/zinc/11/76/88/711117688.db2.gz XLGJHTCLUDEZIQ-KKUMJFAQSA-N 2 1 336.505 1.920 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001034792152 711118801 /nfs/dbraw/zinc/11/88/01/711118801.db2.gz GFMZAWJDVVNYMM-FAAHXZRKSA-N 2 1 334.468 1.143 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCCCO3)CC2)C1 ZINC001034792474 711119208 /nfs/dbraw/zinc/11/92/08/711119208.db2.gz KBBZLNFSURWLLN-XLAORIBOSA-N 2 1 337.508 1.914 20 0 EDADMP Cc1nnc([C@H](C)N2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001003970430 711119764 /nfs/dbraw/zinc/11/97/64/711119764.db2.gz GBBGZLZTNRFWGF-GXTWGEPZSA-N 2 1 335.452 1.361 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001005719685 711144003 /nfs/dbraw/zinc/14/40/03/711144003.db2.gz UVTBMIZFOJPXRY-IAGOWNOFSA-N 2 1 348.491 1.929 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2ccc(C[NH2+]CC3CCC3)cc2)O1 ZINC001034820651 711221591 /nfs/dbraw/zinc/22/15/91/711221591.db2.gz KVTMLXZCMLUSAO-DNVCBOLYSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2ccc(C[NH2+]CC3CCC3)cc2)O1 ZINC001034820651 711221594 /nfs/dbraw/zinc/22/15/94/711221594.db2.gz KVTMLXZCMLUSAO-DNVCBOLYSA-N 2 1 345.487 1.912 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH2+]Cc3cccnc3)cc2)C1 ZINC001034830776 711236693 /nfs/dbraw/zinc/23/66/93/711236693.db2.gz DIMSFUPTRAIETC-LJQANCHMSA-N 2 1 338.455 1.939 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1conc1C ZINC001034954431 711420263 /nfs/dbraw/zinc/42/02/63/711420263.db2.gz QJQDKCJRPMILCN-IAGOWNOFSA-N 2 1 334.464 1.938 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC001034958183 711431258 /nfs/dbraw/zinc/43/12/58/711431258.db2.gz CWBMCIZODWPBEJ-IAGOWNOFSA-N 2 1 346.475 1.768 20 0 EDADMP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ncn1 ZINC001034939448 711441581 /nfs/dbraw/zinc/44/15/81/711441581.db2.gz ARSXAJYQWVALNY-DJIMGWMZSA-N 2 1 331.464 1.206 20 0 EDADMP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001034939826 711442734 /nfs/dbraw/zinc/44/27/34/711442734.db2.gz NIGYAXOKTGVGIU-DJIMGWMZSA-N 2 1 346.475 1.511 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nonc2C)CC[N@@H+]1C ZINC001034941472 711446152 /nfs/dbraw/zinc/44/61/52/711446152.db2.gz QRXMLOOGOKHQSG-IJEWVQPXSA-N 2 1 335.452 1.189 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nonc2C)CC[N@H+]1C ZINC001034941472 711446153 /nfs/dbraw/zinc/44/61/53/711446153.db2.gz QRXMLOOGOKHQSG-IJEWVQPXSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)C23CCC[NH+](CCC2)C3)co1 ZINC001034970279 711449768 /nfs/dbraw/zinc/44/97/68/711449768.db2.gz ZTQDBXOXNFQWLB-QGZVFWFLSA-N 2 1 346.475 1.940 20 0 EDADMP COc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC001034972197 711452033 /nfs/dbraw/zinc/45/20/33/711452033.db2.gz CUNJUNYKORLSGW-AEFFLSMTSA-N 2 1 346.475 1.655 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc3oc(=O)oc3c1)C2 ZINC000922391211 711456098 /nfs/dbraw/zinc/45/60/98/711456098.db2.gz URHSJNFLSSDUIF-GNSPCKGOSA-N 2 1 346.427 1.955 20 0 EDADMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C(C)C)nn3)C2)[C@@H]1C(C)C ZINC000922394247 711459705 /nfs/dbraw/zinc/45/97/05/711459705.db2.gz OMTQNYDBTDHTKB-ZJPYXAASSA-N 2 1 335.496 1.818 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C(C)C)nn3)C2)[C@@H]1C(C)C ZINC000922394247 711459706 /nfs/dbraw/zinc/45/97/06/711459706.db2.gz OMTQNYDBTDHTKB-ZJPYXAASSA-N 2 1 335.496 1.818 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001004151241 711568507 /nfs/dbraw/zinc/56/85/07/711568507.db2.gz IRZZVNWABVIXQI-HOCLYGCPSA-N 2 1 334.464 1.587 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)C1 ZINC001004151338 711569003 /nfs/dbraw/zinc/56/90/03/711569003.db2.gz WZRHXRXKXNCLRY-SJLPKXTDSA-N 2 1 337.508 1.460 20 0 EDADMP C[NH+](C)C1(C(=O)N2CC[C@H]3C[N@H+](Cc4ccon4)C[C@H]3CC2)CCC1 ZINC000946621073 711902526 /nfs/dbraw/zinc/90/25/26/711902526.db2.gz IVBXELJWKGDWNF-IYBDPMFKSA-N 2 1 346.475 1.829 20 0 EDADMP C[C@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004599122 712043179 /nfs/dbraw/zinc/04/31/79/712043179.db2.gz CJNABMKVCTYMBY-RDJZCZTQSA-N 2 1 335.492 1.166 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000333399270 282189182 /nfs/dbraw/zinc/18/91/82/282189182.db2.gz PSYHIQMASWFVNC-BRWVUGGUSA-N 2 1 331.464 1.610 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000355193672 282209547 /nfs/dbraw/zinc/20/95/47/282209547.db2.gz WATYMPWMJKMBEE-LVQVYYBASA-N 2 1 332.448 1.471 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC(O)(C[NH3+])CC1)c1cccc(Cl)c1 ZINC000424054146 282231390 /nfs/dbraw/zinc/23/13/90/282231390.db2.gz GLDXSDQSBOOZEO-AWEZNQCLSA-N 2 1 325.840 1.255 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NCC[N@H+]1CCCOCC1)c1cccs1 ZINC000187815473 282241949 /nfs/dbraw/zinc/24/19/49/282241949.db2.gz YVVATGWPCGUAKB-CQSZACIVSA-N 2 1 340.493 1.372 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCC[C@H](C[NH2+]C)C1)[NH+]1CCOCC1 ZINC000159015183 282249498 /nfs/dbraw/zinc/24/94/98/282249498.db2.gz HKOABCQMMAPCJY-NVXWUHKLSA-N 2 1 325.497 1.581 20 0 EDADMP CCC(CC)[C@H](CNC(=O)C1([NH3+])CCCCC1)[NH+]1CCOCC1 ZINC000236688240 282274859 /nfs/dbraw/zinc/27/48/59/282274859.db2.gz CGIWIESSYOUJOZ-INIZCTEOSA-N 2 1 325.497 1.901 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440990670 539332231 /nfs/dbraw/zinc/33/22/31/539332231.db2.gz WRCCVDZJEOHFSH-HNNXBMFYSA-N 2 1 327.517 1.042 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000183578635 529799626 /nfs/dbraw/zinc/79/96/26/529799626.db2.gz TUYNOPRCFHRHKC-CQSZACIVSA-N 2 1 332.448 1.378 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000416832129 290698511 /nfs/dbraw/zinc/69/85/11/290698511.db2.gz IICIDDHUDGYECS-GOEBONIOSA-N 2 1 334.464 1.549 20 0 EDADMP CN(C/C=C\CN(C)[C@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340196922 282336064 /nfs/dbraw/zinc/33/60/64/282336064.db2.gz GEOKNBJQIXNKQA-PYSGZSLQSA-N 2 1 332.536 1.880 20 0 EDADMP CN(C/C=C\CN(C)[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000340196922 282336070 /nfs/dbraw/zinc/33/60/70/282336070.db2.gz GEOKNBJQIXNKQA-PYSGZSLQSA-N 2 1 332.536 1.880 20 0 EDADMP CN(C/C=C\CN(C)[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000340196922 282336076 /nfs/dbraw/zinc/33/60/76/282336076.db2.gz GEOKNBJQIXNKQA-PYSGZSLQSA-N 2 1 332.536 1.880 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433918511 305114575 /nfs/dbraw/zinc/11/45/75/305114575.db2.gz JXOBLEWGGSGJKP-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433918511 305114576 /nfs/dbraw/zinc/11/45/76/305114576.db2.gz JXOBLEWGGSGJKP-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433918511 305114577 /nfs/dbraw/zinc/11/45/77/305114577.db2.gz JXOBLEWGGSGJKP-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000131996832 530034773 /nfs/dbraw/zinc/03/47/73/530034773.db2.gz RAVSUCDJGVNFIJ-XJKCOSOUSA-N 2 1 325.478 1.413 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000131996832 530034774 /nfs/dbraw/zinc/03/47/74/530034774.db2.gz RAVSUCDJGVNFIJ-XJKCOSOUSA-N 2 1 325.478 1.413 20 0 EDADMP Cc1ccc(S(=O)(=O)NCCN[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000177996566 232053039 /nfs/dbraw/zinc/05/30/39/232053039.db2.gz GSNGYPMWWURVBQ-CABCVRRESA-N 2 1 337.489 1.488 20 0 EDADMP Cc1ccc(S(=O)(=O)NCCN[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000177996566 232053042 /nfs/dbraw/zinc/05/30/42/232053042.db2.gz GSNGYPMWWURVBQ-CABCVRRESA-N 2 1 337.489 1.488 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC[N@@H+]1C ZINC000181142116 539487195 /nfs/dbraw/zinc/48/71/95/539487195.db2.gz QRBXCCWBQNDVBT-BRWVUGGUSA-N 2 1 331.460 1.739 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC[N@H+]1C ZINC000181142116 539487201 /nfs/dbraw/zinc/48/72/01/539487201.db2.gz QRBXCCWBQNDVBT-BRWVUGGUSA-N 2 1 331.460 1.739 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC000067491603 215153964 /nfs/dbraw/zinc/15/39/64/215153964.db2.gz QJHKVOPKEGUCTI-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC000067491603 215153966 /nfs/dbraw/zinc/15/39/66/215153966.db2.gz QJHKVOPKEGUCTI-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000342972924 539768543 /nfs/dbraw/zinc/76/85/43/539768543.db2.gz ADAKSSNILLLRIA-HUUCEWRRSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000342993907 539773181 /nfs/dbraw/zinc/77/31/81/539773181.db2.gz UIDKOQNVRYKJFM-HRCADAONSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982024 306291827 /nfs/dbraw/zinc/29/18/27/306291827.db2.gz IIIUPHITEABZMJ-NVXWUHKLSA-N 2 1 332.496 1.000 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982024 306291828 /nfs/dbraw/zinc/29/18/28/306291828.db2.gz IIIUPHITEABZMJ-NVXWUHKLSA-N 2 1 332.496 1.000 20 0 EDADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000344637931 539813701 /nfs/dbraw/zinc/81/37/01/539813701.db2.gz PHWAAACXDOXARD-ROUUACIJSA-N 2 1 333.476 1.816 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000441020912 305216697 /nfs/dbraw/zinc/21/66/97/305216697.db2.gz PCQAZAIZRQJYFP-OAHLLOKOSA-N 2 1 327.517 1.042 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441020912 305216698 /nfs/dbraw/zinc/21/66/98/305216698.db2.gz PCQAZAIZRQJYFP-OAHLLOKOSA-N 2 1 327.517 1.042 20 0 EDADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)COc1ccc2c(c1)OCO2 ZINC000166301795 539922140 /nfs/dbraw/zinc/92/21/40/539922140.db2.gz CDRBERKZRXYEJN-RRFJBIMHSA-N 2 1 334.416 1.371 20 0 EDADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000495574756 299197359 /nfs/dbraw/zinc/19/73/59/299197359.db2.gz NDOMYOKAIZDMSK-BPUTZDHNSA-N 2 1 341.496 1.989 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000360796708 283175771 /nfs/dbraw/zinc/17/57/71/283175771.db2.gz HNKCYFZFYHJJCD-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000360796708 283175772 /nfs/dbraw/zinc/17/57/72/283175772.db2.gz HNKCYFZFYHJJCD-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000360796708 283175774 /nfs/dbraw/zinc/17/57/74/283175774.db2.gz HNKCYFZFYHJJCD-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000360796708 283175777 /nfs/dbraw/zinc/17/57/77/283175777.db2.gz HNKCYFZFYHJJCD-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123684353 138320576 /nfs/dbraw/zinc/32/05/76/138320576.db2.gz AFYJISOSQVRMGW-ZIAGYGMSSA-N 2 1 335.452 1.297 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123684353 138320577 /nfs/dbraw/zinc/32/05/77/138320577.db2.gz AFYJISOSQVRMGW-ZIAGYGMSSA-N 2 1 335.452 1.297 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CCN(c2ccc(F)cc2)CC1 ZINC000127770199 138338726 /nfs/dbraw/zinc/33/87/26/138338726.db2.gz CEUQWSPHUAGVCJ-APWZRJJASA-N 2 1 334.483 1.878 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000130297025 138340716 /nfs/dbraw/zinc/34/07/16/138340716.db2.gz NGCBTBGEWDFMJS-IYBDPMFKSA-N 2 1 333.476 1.977 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)cs1 ZINC000186820757 236032712 /nfs/dbraw/zinc/03/27/12/236032712.db2.gz ORGKJXYHOUFBBI-BLLLJJGKSA-N 2 1 336.505 1.778 20 0 EDADMP CN1CCC[C@@H]1C(=O)Nc1cc(F)cc(NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000563853691 306349667 /nfs/dbraw/zinc/34/96/67/306349667.db2.gz UIZDSIAUXWYZDD-HZPDHXFCSA-N 2 1 348.422 1.891 20 0 EDADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCS(=O)(=O)CC1 ZINC000354333745 299289070 /nfs/dbraw/zinc/28/90/70/299289070.db2.gz JQQIAYHIGBBBLV-GOEBONIOSA-N 2 1 332.510 1.026 20 0 EDADMP COC(=O)c1cnc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000414113586 304100886 /nfs/dbraw/zinc/10/08/86/304100886.db2.gz KUYBZJBRJUZUAQ-CHWSQXEVSA-N 2 1 341.477 1.817 20 0 EDADMP COC(=O)c1cnc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000414113586 304100887 /nfs/dbraw/zinc/10/08/87/304100887.db2.gz KUYBZJBRJUZUAQ-CHWSQXEVSA-N 2 1 341.477 1.817 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)COc1ccccc1Cl)C[NH+]1CCCCC1 ZINC000565775050 306391186 /nfs/dbraw/zinc/39/11/86/306391186.db2.gz DPNNRIGSTNZJFX-CABCVRRESA-N 2 1 342.867 1.516 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)C1=CC[N@@H+](C)CC1 ZINC000566132723 306399541 /nfs/dbraw/zinc/39/95/41/306399541.db2.gz ZSIFWYVZMRYDPX-ZFWWWQNUSA-N 2 1 334.416 1.395 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000414704301 304130506 /nfs/dbraw/zinc/13/05/06/304130506.db2.gz MVXRDHVNBQGUPD-DLBZAZTESA-N 2 1 344.459 1.478 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372611724 296109533 /nfs/dbraw/zinc/10/95/33/296109533.db2.gz KWNILNQZVLSXTA-QGZVFWFLSA-N 2 1 335.492 1.622 20 0 EDADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1OCC(=O)N1CCCC1 ZINC000414807062 304143054 /nfs/dbraw/zinc/14/30/54/304143054.db2.gz QRFPDXBJAMVENG-MRXNPFEDSA-N 2 1 347.459 1.523 20 0 EDADMP [NH3+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000414820566 304144798 /nfs/dbraw/zinc/14/47/98/304144798.db2.gz ACXNEMKMNBRAPZ-OAHLLOKOSA-N 2 1 330.432 1.217 20 0 EDADMP COc1cc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc2c1OCCO2 ZINC000414990553 304148844 /nfs/dbraw/zinc/14/88/44/304148844.db2.gz AACCVJZVQCJDFZ-LBPRGKRZSA-N 2 1 328.359 1.801 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC[C@H]2CCC[NH2+]C2)C1 ZINC000415120690 304161672 /nfs/dbraw/zinc/16/16/72/304161672.db2.gz LWEPVPAEAXJWBK-RDJZCZTQSA-N 2 1 330.476 1.795 20 0 EDADMP Cc1nn(C)cc1CNCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415126889 304162288 /nfs/dbraw/zinc/16/22/88/304162288.db2.gz HFSVFUUNQDRMGU-UHFFFAOYSA-N 2 1 327.476 1.812 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000415139068 304163536 /nfs/dbraw/zinc/16/35/36/304163536.db2.gz HXXIWCBJRPOGEB-HEHGZKQESA-N 2 1 330.432 1.340 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000415138077 304163546 /nfs/dbraw/zinc/16/35/46/304163546.db2.gz GKYUEXVDVVFYPO-YOEHRIQHSA-N 2 1 344.459 1.430 20 0 EDADMP Cn1c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)nc2ccccc21 ZINC000195519351 139019439 /nfs/dbraw/zinc/01/94/39/139019439.db2.gz OUEGBKFVEKUNJO-UHFFFAOYSA-N 2 1 343.475 1.463 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000415155991 304166916 /nfs/dbraw/zinc/16/69/16/304166916.db2.gz WFPIXEQRXYRZEM-WMLDXEAASA-N 2 1 346.475 1.533 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000236659955 139027777 /nfs/dbraw/zinc/02/77/77/139027777.db2.gz NMCUZUNRUFEXPM-IBGZPJMESA-N 2 1 346.519 1.636 20 0 EDADMP COc1ccc([C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)CCC[N@H+]2C)cc1 ZINC000237300674 139046959 /nfs/dbraw/zinc/04/69/59/139046959.db2.gz GHFXQTWIFPDMBI-BPQIPLTHSA-N 2 1 331.460 1.946 20 0 EDADMP COCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000237299208 139046986 /nfs/dbraw/zinc/04/69/86/139046986.db2.gz ROMARKRREBVMCH-MRXNPFEDSA-N 2 1 337.439 1.390 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@]3(C)CC[NH2+]C3)C2)cc(OC)c1 ZINC000237305004 139047328 /nfs/dbraw/zinc/04/73/28/139047328.db2.gz WVKDJLUOCZQYOE-BEFAXECRSA-N 2 1 347.459 1.394 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@]3(C)CC[NH2+]C3)C2)cc(OC)c1 ZINC000237305004 139047329 /nfs/dbraw/zinc/04/73/29/139047329.db2.gz WVKDJLUOCZQYOE-BEFAXECRSA-N 2 1 347.459 1.394 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000415175333 304171118 /nfs/dbraw/zinc/17/11/18/304171118.db2.gz WOTNJOCFIVOWPA-DOTOQJQBSA-N 2 1 344.459 1.287 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249297732 284347517 /nfs/dbraw/zinc/34/75/17/284347517.db2.gz NAZUJBDRVRKKKA-PKOBYXMFSA-N 2 1 346.519 1.679 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000496172474 284349759 /nfs/dbraw/zinc/34/97/59/284349759.db2.gz RTFYFFCEGFWGNQ-ARFHVFGLSA-N 2 1 343.512 1.972 20 0 EDADMP CSCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000237518780 139053120 /nfs/dbraw/zinc/05/31/20/139053120.db2.gz LXRSOGGXECYBSH-DGCLKSJQSA-N 2 1 327.519 1.691 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)[nH+]1 ZINC000237851529 139062003 /nfs/dbraw/zinc/06/20/03/139062003.db2.gz VYVKKONSBWWJKC-INIZCTEOSA-N 2 1 328.460 1.865 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000111806553 220193889 /nfs/dbraw/zinc/19/38/89/220193889.db2.gz GZCLTMBOUIJYFF-UHFFFAOYSA-N 2 1 340.512 1.472 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000245877036 139088279 /nfs/dbraw/zinc/08/82/79/139088279.db2.gz MPPXZFOOAAZOER-SJORKVTESA-N 2 1 340.512 1.205 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)C1 ZINC000415291783 304187262 /nfs/dbraw/zinc/18/72/62/304187262.db2.gz AJRAXXDTLDESDT-ZDUSSCGKSA-N 2 1 338.839 1.160 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000246352356 139105117 /nfs/dbraw/zinc/10/51/17/139105117.db2.gz PISZCEVQMWTDRG-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)s1 ZINC000246435991 139108477 /nfs/dbraw/zinc/10/84/77/139108477.db2.gz OESONOLODBCSNK-SMDDNHRTSA-N 2 1 345.534 1.716 20 0 EDADMP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)s1 ZINC000246435991 139108478 /nfs/dbraw/zinc/10/84/78/139108478.db2.gz OESONOLODBCSNK-SMDDNHRTSA-N 2 1 345.534 1.716 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000247017016 139131512 /nfs/dbraw/zinc/13/15/12/139131512.db2.gz OYFXZNSQQKBGRG-QZTJIDSGSA-N 2 1 331.460 1.660 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000247017016 139131513 /nfs/dbraw/zinc/13/15/13/139131513.db2.gz OYFXZNSQQKBGRG-QZTJIDSGSA-N 2 1 331.460 1.660 20 0 EDADMP CC[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000247260273 139142857 /nfs/dbraw/zinc/14/28/57/139142857.db2.gz YJYIEVNQDHIFSU-ROUUACIJSA-N 2 1 339.524 1.972 20 0 EDADMP CC[C@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000247260273 139142858 /nfs/dbraw/zinc/14/28/58/139142858.db2.gz YJYIEVNQDHIFSU-ROUUACIJSA-N 2 1 339.524 1.972 20 0 EDADMP CC[C@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000247260273 139142859 /nfs/dbraw/zinc/14/28/59/139142859.db2.gz YJYIEVNQDHIFSU-ROUUACIJSA-N 2 1 339.524 1.972 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000247604083 139152933 /nfs/dbraw/zinc/15/29/33/139152933.db2.gz LKYURRXXZBVHQS-IAGOWNOFSA-N 2 1 339.528 1.138 20 0 EDADMP COCc1cccc(CNC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247964438 139156444 /nfs/dbraw/zinc/15/64/44/139156444.db2.gz GPUHKROPBTZIMC-RBUKOAKNSA-N 2 1 345.487 1.865 20 0 EDADMP CS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248407207 139162573 /nfs/dbraw/zinc/16/25/73/139162573.db2.gz UCKQFHRGFJGNMZ-KZNAEPCWSA-N 2 1 336.501 1.921 20 0 EDADMP CS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248407207 139162574 /nfs/dbraw/zinc/16/25/74/139162574.db2.gz UCKQFHRGFJGNMZ-KZNAEPCWSA-N 2 1 336.501 1.921 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCC[N@H+]2CCCC[C@H]2C)C1(C)C ZINC000249096599 139185475 /nfs/dbraw/zinc/18/54/75/139185475.db2.gz IIBWUSQBKHLYGU-RKVPGOIHSA-N 2 1 325.497 1.900 20 0 EDADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000249394082 139192540 /nfs/dbraw/zinc/19/25/40/139192540.db2.gz AOGKBGBKAWAILI-IXDOHACOSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@@H]1[C@H](C)CC[NH+]1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000249394082 139192541 /nfs/dbraw/zinc/19/25/41/139192541.db2.gz AOGKBGBKAWAILI-IXDOHACOSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@@H]1[C@H](C)CC[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000249394082 139192542 /nfs/dbraw/zinc/19/25/42/139192542.db2.gz AOGKBGBKAWAILI-IXDOHACOSA-N 2 1 325.497 1.580 20 0 EDADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(C)c1 ZINC000261597068 139209405 /nfs/dbraw/zinc/20/94/05/139209405.db2.gz ABOLLVHRAONGMI-HNNXBMFYSA-N 2 1 332.448 1.029 20 0 EDADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(C)c1 ZINC000261597068 139209406 /nfs/dbraw/zinc/20/94/06/139209406.db2.gz ABOLLVHRAONGMI-HNNXBMFYSA-N 2 1 332.448 1.029 20 0 EDADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)c1 ZINC000261597071 139209450 /nfs/dbraw/zinc/20/94/50/139209450.db2.gz ABOLLVHRAONGMI-OAHLLOKOSA-N 2 1 332.448 1.029 20 0 EDADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)c1 ZINC000261597071 139209451 /nfs/dbraw/zinc/20/94/51/139209451.db2.gz ABOLLVHRAONGMI-OAHLLOKOSA-N 2 1 332.448 1.029 20 0 EDADMP O=C(COC1CC[NH2+]CC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261538168 139208712 /nfs/dbraw/zinc/20/87/12/139208712.db2.gz MQQCTJRXEYBQKE-KRWDZBQOSA-N 2 1 331.460 1.536 20 0 EDADMP C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261561743 139209075 /nfs/dbraw/zinc/20/90/75/139209075.db2.gz VTDFAEBOGCCZIO-JQHSSLGASA-N 2 1 331.460 1.392 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](CCOCC(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000261613363 139211076 /nfs/dbraw/zinc/21/10/76/139211076.db2.gz BHIUZQMLOLICFB-QWHCGFSZSA-N 2 1 337.386 1.146 20 0 EDADMP [NH3+][C@@H](C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000261705262 139219242 /nfs/dbraw/zinc/21/92/42/139219242.db2.gz IJPGQTUHVOTENV-GOSISDBHSA-N 2 1 349.450 1.614 20 0 EDADMP [NH3+][C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000261705262 139219243 /nfs/dbraw/zinc/21/92/43/139219243.db2.gz IJPGQTUHVOTENV-GOSISDBHSA-N 2 1 349.450 1.614 20 0 EDADMP C[C@]1(C[NH3+])CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000261750591 139222946 /nfs/dbraw/zinc/22/29/46/139222946.db2.gz DUUAJBYPIBGWCM-SJLPKXTDSA-N 2 1 333.501 1.974 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000261777623 139225152 /nfs/dbraw/zinc/22/51/52/139225152.db2.gz XNLOQQSHJXZPBZ-ZDUSSCGKSA-N 2 1 345.472 1.492 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000261777623 139225153 /nfs/dbraw/zinc/22/51/53/139225153.db2.gz XNLOQQSHJXZPBZ-ZDUSSCGKSA-N 2 1 345.472 1.492 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000261833099 139229932 /nfs/dbraw/zinc/22/99/32/139229932.db2.gz XWSXJGCISGWRPL-LBPRGKRZSA-N 2 1 334.445 1.690 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000261833099 139229933 /nfs/dbraw/zinc/22/99/33/139229933.db2.gz XWSXJGCISGWRPL-LBPRGKRZSA-N 2 1 334.445 1.690 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccc(NC(N)=O)cc1 ZINC000261857190 139231748 /nfs/dbraw/zinc/23/17/48/139231748.db2.gz BTTOOBMONVEUGU-WBQNTZJQSA-N 2 1 332.448 1.985 20 0 EDADMP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262068707 139248285 /nfs/dbraw/zinc/24/82/85/139248285.db2.gz BTEOFAVRTDZCRI-HNNXBMFYSA-N 2 1 329.423 1.695 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000369944953 296311355 /nfs/dbraw/zinc/31/13/55/296311355.db2.gz UHEXFXXGHLXTBN-QGZVFWFLSA-N 2 1 336.524 1.537 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000369944953 296311357 /nfs/dbraw/zinc/31/13/57/296311357.db2.gz UHEXFXXGHLXTBN-QGZVFWFLSA-N 2 1 336.524 1.537 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1)[C@@H]1CCC[NH2+]1 ZINC000262175826 139257497 /nfs/dbraw/zinc/25/74/97/139257497.db2.gz IGEJZTNPQRNCMF-AEFFLSMTSA-N 2 1 343.471 1.702 20 0 EDADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262208745 139260109 /nfs/dbraw/zinc/26/01/09/139260109.db2.gz SUZFNNFOLHLUTC-KRWDZBQOSA-N 2 1 341.459 1.532 20 0 EDADMP CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)C12CCCCC2 ZINC000262221197 139261253 /nfs/dbraw/zinc/26/12/53/139261253.db2.gz UOCPWMRRPCEXMX-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)cc2)C1 ZINC000262286596 139266745 /nfs/dbraw/zinc/26/67/45/139266745.db2.gz OHORHFXDDYLYMI-RKVPGOIHSA-N 2 1 347.459 1.723 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)cc2)C1 ZINC000262286596 139266746 /nfs/dbraw/zinc/26/67/46/139266746.db2.gz OHORHFXDDYLYMI-RKVPGOIHSA-N 2 1 347.459 1.723 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NC1(C)CC[NH2+]CC1)[NH+](C)C ZINC000416832053 251112730 /nfs/dbraw/zinc/11/27/30/251112730.db2.gz IEHVMMOKGWHPSO-OAHLLOKOSA-N 2 1 334.464 1.739 20 0 EDADMP CC[C@H](CNC(=O)N1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000417015049 251132508 /nfs/dbraw/zinc/13/25/08/251132508.db2.gz LXHCHBAFARCRFZ-GOSISDBHSA-N 2 1 330.476 1.828 20 0 EDADMP CC[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000417004532 251126952 /nfs/dbraw/zinc/12/69/52/251126952.db2.gz CNPDEYIMPJFVMY-OLMNPRSZSA-N 2 1 330.476 1.954 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc2)C1 ZINC000262357633 139272790 /nfs/dbraw/zinc/27/27/90/139272790.db2.gz IDABESTZWXTBAK-OLMNPRSZSA-N 2 1 331.460 1.258 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417519678 251182604 /nfs/dbraw/zinc/18/26/04/251182604.db2.gz VQWCEGUWEYFASY-MSOLQXFVSA-N 2 1 348.491 1.747 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417557310 251186443 /nfs/dbraw/zinc/18/64/43/251186443.db2.gz RGIZOXVJRWJHCL-AEFFLSMTSA-N 2 1 340.512 1.709 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000417587869 251199350 /nfs/dbraw/zinc/19/93/50/251199350.db2.gz SREKUYXIYKWTJW-HZPDHXFCSA-N 2 1 340.512 1.646 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000417666489 251218699 /nfs/dbraw/zinc/21/86/99/251218699.db2.gz CXSHVESZJKBTPR-JYJNAYRXSA-N 2 1 326.485 1.256 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])[C@H]2C)[C@@H](C)C1 ZINC000417666597 251219588 /nfs/dbraw/zinc/21/95/88/251219588.db2.gz DJYDWBWGZPRTCH-FZKCQIBNSA-N 2 1 326.485 1.255 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H](C)C1 ZINC000417667940 251220676 /nfs/dbraw/zinc/22/06/76/251220676.db2.gz IDJHOFHCTAOJES-QWHCGFSZSA-N 2 1 336.427 1.017 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H](C)C1 ZINC000417667940 251220681 /nfs/dbraw/zinc/22/06/81/251220681.db2.gz IDJHOFHCTAOJES-QWHCGFSZSA-N 2 1 336.427 1.017 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000417600368 251204191 /nfs/dbraw/zinc/20/41/91/251204191.db2.gz GEQPIGFZQAKEDJ-HNNXBMFYSA-N 2 1 337.468 1.540 20 0 EDADMP C[C@H](c1ccc(NC(=O)C[C@H]2COCC[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000262416618 139277520 /nfs/dbraw/zinc/27/75/20/139277520.db2.gz RGFLGHQDTZPMEN-PBHICJAKSA-N 2 1 333.432 1.397 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)[nH+]1 ZINC000417688112 251229987 /nfs/dbraw/zinc/22/99/87/251229987.db2.gz DIWTVMIKVQFWEK-GOEBONIOSA-N 2 1 331.464 1.785 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000417691431 251230783 /nfs/dbraw/zinc/23/07/83/251230783.db2.gz KENPPKRMGKLKFH-MRXNPFEDSA-N 2 1 331.464 1.752 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)[C@@H](C)C1 ZINC000417670870 251222606 /nfs/dbraw/zinc/22/26/06/251222606.db2.gz OYGNMNFCRYVZMC-VGWMRTNUSA-N 2 1 326.485 1.112 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N[C@H](CC[NH3+])C(F)F)CC2)[nH+]c1 ZINC000417740561 251250878 /nfs/dbraw/zinc/25/08/78/251250878.db2.gz ZWGHDKOBRCKRLV-CYBMUJFWSA-N 2 1 341.406 1.641 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417831974 251288589 /nfs/dbraw/zinc/28/85/89/251288589.db2.gz SQOJMIIVBROSDW-NJAFHUGGSA-N 2 1 330.476 1.887 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417806235 251276739 /nfs/dbraw/zinc/27/67/39/251276739.db2.gz AQZXTUXQVZRXRY-SJORKVTESA-N 2 1 340.512 1.646 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000417873896 251308943 /nfs/dbraw/zinc/30/89/43/251308943.db2.gz MJDRQRJNDTXFAG-BVBHFADKSA-N 2 1 342.487 1.900 20 0 EDADMP C[C@@H](NC(=O)N(CC[NH3+])CCc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000417992153 251319508 /nfs/dbraw/zinc/31/95/08/251319508.db2.gz LYLYKHKMYRZMBR-MRXNPFEDSA-N 2 1 330.476 1.850 20 0 EDADMP C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000418108985 251325300 /nfs/dbraw/zinc/32/53/00/251325300.db2.gz BZNSSQASXRVZIW-OWCLPIDISA-N 2 1 326.485 1.256 20 0 EDADMP C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000418108983 251325480 /nfs/dbraw/zinc/32/54/80/251325480.db2.gz BZNSSQASXRVZIW-BZUAXINKSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000418111118 251326622 /nfs/dbraw/zinc/32/66/22/251326622.db2.gz GJMDVUXGWYXHEN-LSDHHAIUSA-N 2 1 326.485 1.256 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000418113396 251327124 /nfs/dbraw/zinc/32/71/24/251327124.db2.gz JHZOXOBMPSDHJL-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000418442906 251372447 /nfs/dbraw/zinc/37/24/47/251372447.db2.gz NEXYWEFTWSOMSG-QZTJIDSGSA-N 2 1 332.492 1.928 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000418442906 251372451 /nfs/dbraw/zinc/37/24/51/251372451.db2.gz NEXYWEFTWSOMSG-QZTJIDSGSA-N 2 1 332.492 1.928 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000418196512 251355121 /nfs/dbraw/zinc/35/51/21/251355121.db2.gz HSKPJOGRMHNGFG-XJKSGUPXSA-N 2 1 331.464 1.787 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418346899 251361694 /nfs/dbraw/zinc/36/16/94/251361694.db2.gz MVRZDVONZIALIC-IAGOWNOFSA-N 2 1 340.512 1.518 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)C[C@H]1CC ZINC000418706963 251389759 /nfs/dbraw/zinc/38/97/59/251389759.db2.gz HWEPDCNCFSBEHG-OLZOCXBDSA-N 2 1 336.427 1.111 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418709400 251392192 /nfs/dbraw/zinc/39/21/92/251392192.db2.gz RDRLBHJFKALBSS-CRAIPNDOSA-N 2 1 334.464 1.050 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2([NH3+])CCCC2)c1 ZINC000262632421 139291570 /nfs/dbraw/zinc/29/15/70/139291570.db2.gz HJIUABWTDHFSMR-HNNXBMFYSA-N 2 1 330.432 1.346 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2([NH3+])CCCC2)c1 ZINC000262632421 139291571 /nfs/dbraw/zinc/29/15/71/139291571.db2.gz HJIUABWTDHFSMR-HNNXBMFYSA-N 2 1 330.432 1.346 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)cc2F)CC1 ZINC000262870140 139309367 /nfs/dbraw/zinc/30/93/67/139309367.db2.gz MGLGGZMPTPOWPY-HOCLYGCPSA-N 2 1 348.466 1.838 20 0 EDADMP CCOC1CC(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)(N2CCOCC2)C1 ZINC000423071299 252033034 /nfs/dbraw/zinc/03/30/34/252033034.db2.gz FFFIODDDUNOMRJ-SAGYGOJTSA-N 2 1 325.497 1.377 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC2(CC[NH2+]2)CC1 ZINC000424050690 252125968 /nfs/dbraw/zinc/12/59/68/252125968.db2.gz FHLKEYCFTVLNIN-SFHVURJKSA-N 2 1 343.471 1.632 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC2(CC[NH2+]2)CC1 ZINC000424050690 252125972 /nfs/dbraw/zinc/12/59/72/252125972.db2.gz FHLKEYCFTVLNIN-SFHVURJKSA-N 2 1 343.471 1.632 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000424158529 252147063 /nfs/dbraw/zinc/14/70/63/252147063.db2.gz TUFDZAHUGWNMOE-IOASZLSFSA-N 2 1 331.464 1.100 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000424217013 252165371 /nfs/dbraw/zinc/16/53/71/252165371.db2.gz JZVLKAMDKFFCLF-WBVHZDCISA-N 2 1 333.476 1.892 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424221089 252167370 /nfs/dbraw/zinc/16/73/70/252167370.db2.gz AUZBMOCMQZGHRG-LSDHHAIUSA-N 2 1 330.436 1.083 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424441290 252232666 /nfs/dbraw/zinc/23/26/66/252232666.db2.gz WRCDISCLBGFKDB-MRXNPFEDSA-N 2 1 347.507 1.849 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)C1 ZINC000347047084 285058544 /nfs/dbraw/zinc/05/85/44/285058544.db2.gz QWNXSAIJZJNQMZ-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000347047084 285058548 /nfs/dbraw/zinc/05/85/48/285058548.db2.gz QWNXSAIJZJNQMZ-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC000347047084 285058550 /nfs/dbraw/zinc/05/85/50/285058550.db2.gz QWNXSAIJZJNQMZ-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112297639 220292177 /nfs/dbraw/zinc/29/21/77/220292177.db2.gz YFVJPUKMLRRKDT-KRWDZBQOSA-N 2 1 345.491 1.438 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000112464675 220332529 /nfs/dbraw/zinc/33/25/29/220332529.db2.gz APGXSPHWVRFPRM-MRXNPFEDSA-N 2 1 328.501 1.110 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000153789496 224157908 /nfs/dbraw/zinc/15/79/08/224157908.db2.gz VZRDPUDSRPIFBW-MJGOQNOKSA-N 2 1 334.508 1.850 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000487277503 255028301 /nfs/dbraw/zinc/02/83/01/255028301.db2.gz GGEWPRXOCWCAGU-YXWQFLTLSA-N 2 1 339.480 1.974 20 0 EDADMP C[C@H]1[C@H](CO)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000488746368 255051921 /nfs/dbraw/zinc/05/19/21/255051921.db2.gz FWPCRHNPOGYHBC-LPHOPBHVSA-N 2 1 345.487 1.601 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CCC[NH3+] ZINC000418701609 285245382 /nfs/dbraw/zinc/24/53/82/285245382.db2.gz KHGGLMVWCNORNS-HZPDHXFCSA-N 3 1 327.517 1.171 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C\c2cscn2)CC1 ZINC000491387954 255124789 /nfs/dbraw/zinc/12/47/89/255124789.db2.gz ROLYTTICHUBFJY-IHWYPQMZSA-N 2 1 329.429 1.942 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496074775 255349237 /nfs/dbraw/zinc/34/92/37/255349237.db2.gz ZQWLFBCJHFGFEZ-KFWWJZLASA-N 2 1 329.485 1.629 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496074775 255349238 /nfs/dbraw/zinc/34/92/38/255349238.db2.gz ZQWLFBCJHFGFEZ-KFWWJZLASA-N 2 1 329.485 1.629 20 0 EDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC[NH+]1C ZINC000496074775 255349239 /nfs/dbraw/zinc/34/92/39/255349239.db2.gz ZQWLFBCJHFGFEZ-KFWWJZLASA-N 2 1 329.485 1.629 20 0 EDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC[NH+]1C ZINC000496074775 255349240 /nfs/dbraw/zinc/34/92/40/255349240.db2.gz ZQWLFBCJHFGFEZ-KFWWJZLASA-N 2 1 329.485 1.629 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496457576 255393781 /nfs/dbraw/zinc/39/37/81/255393781.db2.gz UCRJQRPARCATKW-OAHLLOKOSA-N 2 1 340.468 1.741 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496457576 255393782 /nfs/dbraw/zinc/39/37/82/255393782.db2.gz UCRJQRPARCATKW-OAHLLOKOSA-N 2 1 340.468 1.741 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CCC(O)CC1 ZINC000471970257 285275742 /nfs/dbraw/zinc/27/57/42/285275742.db2.gz XBIKBMQVYGQCND-CGZBRXJRSA-N 2 1 325.497 1.412 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc2c1OCO2 ZINC000337593803 285281118 /nfs/dbraw/zinc/28/11/18/285281118.db2.gz ZJUHQRFRZQKESA-HNNXBMFYSA-N 2 1 347.459 1.903 20 0 EDADMP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000118123257 221124538 /nfs/dbraw/zinc/12/45/38/221124538.db2.gz YGXBXILDSNFXAM-UHFFFAOYSA-N 2 1 348.491 1.923 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418346503 285313697 /nfs/dbraw/zinc/31/36/97/285313697.db2.gz MSFWIMKZLNTAKA-INIZCTEOSA-N 2 1 339.528 1.091 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2CO)CC1 ZINC000264287333 139393736 /nfs/dbraw/zinc/39/37/36/139393736.db2.gz QHXOKTINVYSRTA-IBGZPJMESA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000264287333 139393737 /nfs/dbraw/zinc/39/37/37/139393737.db2.gz QHXOKTINVYSRTA-IBGZPJMESA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2CO)CC1 ZINC000264287333 139393738 /nfs/dbraw/zinc/39/37/38/139393738.db2.gz QHXOKTINVYSRTA-IBGZPJMESA-N 2 1 345.487 1.486 20 0 EDADMP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000264302579 139395257 /nfs/dbraw/zinc/39/52/57/139395257.db2.gz OLIDRKPGXCQSCG-UHFFFAOYSA-N 2 1 348.491 1.517 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000415909269 304284750 /nfs/dbraw/zinc/28/47/50/304284750.db2.gz SQAHTJAQFFHJSN-MAUKXSAKSA-N 2 1 346.475 1.981 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)CC2)c1=O ZINC000332407042 141176865 /nfs/dbraw/zinc/17/68/65/141176865.db2.gz YPNSIJVJUJHLLF-HOCLYGCPSA-N 2 1 333.480 1.162 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)CC2)c1=O ZINC000332407042 141176866 /nfs/dbraw/zinc/17/68/66/141176866.db2.gz YPNSIJVJUJHLLF-HOCLYGCPSA-N 2 1 333.480 1.162 20 0 EDADMP O=C1CCCN1C[C@@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333116520 141266870 /nfs/dbraw/zinc/26/68/70/141266870.db2.gz GLQGIWSXAGOYDO-KRWDZBQOSA-N 2 1 346.475 1.382 20 0 EDADMP C[C@@H]1C[C@H](C[N@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)CC[NH2+]1 ZINC000333140661 141270718 /nfs/dbraw/zinc/27/07/18/141270718.db2.gz KVXWHUZKVCHGTL-RBSFLKMASA-N 2 1 329.452 1.023 20 0 EDADMP Cc1nn2c(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)c(C)nc2s1 ZINC000333193733 141279082 /nfs/dbraw/zinc/27/90/82/141279082.db2.gz VSIIGMJRIGNVEM-UHFFFAOYSA-N 2 1 348.520 1.714 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NC[C@H]3CCC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000333576574 141339782 /nfs/dbraw/zinc/33/97/82/141339782.db2.gz NBBQATHHBJQKNY-HNNXBMFYSA-N 2 1 346.479 1.361 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCCO1 ZINC000333639126 141349037 /nfs/dbraw/zinc/34/90/37/141349037.db2.gz UFZYVNNABMHGLU-SJORKVTESA-N 2 1 338.496 1.543 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000333728938 141367682 /nfs/dbraw/zinc/36/76/82/141367682.db2.gz VTWBTAHBOUCHTJ-BBRMVZONSA-N 2 1 332.448 1.941 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NCCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000339413725 142041507 /nfs/dbraw/zinc/04/15/07/142041507.db2.gz ZOEYNJZFYVZGBU-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cc[nH]c(=O)c1 ZINC000339457654 142050918 /nfs/dbraw/zinc/05/09/18/142050918.db2.gz GKBQCZOXXBYSNS-CYBMUJFWSA-N 2 1 328.420 1.180 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000340353930 142356549 /nfs/dbraw/zinc/35/65/49/142356549.db2.gz YPEBNCSMYFIQAZ-CVEARBPZSA-N 2 1 340.512 1.214 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000343889992 142901094 /nfs/dbraw/zinc/90/10/94/142901094.db2.gz RMGKTFNZXQOGGC-KRWDZBQOSA-N 2 1 333.480 1.327 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000343889992 142901095 /nfs/dbraw/zinc/90/10/95/142901095.db2.gz RMGKTFNZXQOGGC-KRWDZBQOSA-N 2 1 333.480 1.327 20 0 EDADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000344720187 143002701 /nfs/dbraw/zinc/00/27/01/143002701.db2.gz HHVCOLLGMWTKIP-ACBHZAAOSA-N 2 1 348.535 1.536 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)CC[N@H+](C2CCC2)C1 ZINC000344742268 143005916 /nfs/dbraw/zinc/00/59/16/143005916.db2.gz PBTRCAMLMUPNBO-LPHOPBHVSA-N 2 1 349.519 1.820 20 0 EDADMP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)C2)C1 ZINC000346301764 143189105 /nfs/dbraw/zinc/18/91/05/143189105.db2.gz VWYVTMNLOJPIPO-QUCCMNQESA-N 2 1 343.471 1.442 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)C2)C1 ZINC000346301764 143189106 /nfs/dbraw/zinc/18/91/06/143189106.db2.gz VWYVTMNLOJPIPO-QUCCMNQESA-N 2 1 343.471 1.442 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)C1 ZINC000346301764 143189107 /nfs/dbraw/zinc/18/91/07/143189107.db2.gz VWYVTMNLOJPIPO-QUCCMNQESA-N 2 1 343.471 1.442 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)C1 ZINC000346301764 143189108 /nfs/dbraw/zinc/18/91/08/143189108.db2.gz VWYVTMNLOJPIPO-QUCCMNQESA-N 2 1 343.471 1.442 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(C)CC2CC2)[C@@H](C)C1 ZINC000346621028 143223028 /nfs/dbraw/zinc/22/30/28/143223028.db2.gz SGBUSGQOAVVOEE-RDJZCZTQSA-N 2 1 325.497 1.581 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N(C)CC2CC2)[C@@H](C)C1 ZINC000346621028 143223029 /nfs/dbraw/zinc/22/30/29/143223029.db2.gz SGBUSGQOAVVOEE-RDJZCZTQSA-N 2 1 325.497 1.581 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N(C)CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000346902837 143258646 /nfs/dbraw/zinc/25/86/46/143258646.db2.gz MAKGDRGWMUZLDE-CALCHBBNSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000346938598 143263821 /nfs/dbraw/zinc/26/38/21/143263821.db2.gz JEYJGPWKEUFXRZ-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000346996146 143269497 /nfs/dbraw/zinc/26/94/97/143269497.db2.gz VTPSAAJKDPYWNZ-SJORKVTESA-N 2 1 338.540 1.782 20 0 EDADMP C[C@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)CCCO1 ZINC000347834212 143368600 /nfs/dbraw/zinc/36/86/00/143368600.db2.gz QGWLZDHDOOJLLQ-JKSUJKDBSA-N 2 1 349.479 1.246 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)CCCO1 ZINC000347834212 143368601 /nfs/dbraw/zinc/36/86/01/143368601.db2.gz QGWLZDHDOOJLLQ-JKSUJKDBSA-N 2 1 349.479 1.246 20 0 EDADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccccc2N2CCCC2=O)CC1 ZINC000572967420 306605969 /nfs/dbraw/zinc/60/59/69/306605969.db2.gz DVEOTJDHYBLOGW-UHFFFAOYSA-N 2 1 344.459 1.813 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000416842221 304350655 /nfs/dbraw/zinc/35/06/55/304350655.db2.gz MWDSDPXAEUCPST-ZOBUZTSGSA-N 2 1 348.491 1.985 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1Cl ZINC000416841243 304350727 /nfs/dbraw/zinc/35/07/27/304350727.db2.gz HASAZZKWSQAOGN-ZENOOKHLSA-N 2 1 336.867 1.804 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000417666492 286060592 /nfs/dbraw/zinc/06/05/92/286060592.db2.gz CXSHVESZJKBTPR-PMPSAXMXSA-N 2 1 326.485 1.256 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CCCC[C@H]1C[NH3+])[NH+](C)C ZINC000416859224 304352482 /nfs/dbraw/zinc/35/24/82/304352482.db2.gz ZSFHOCLSJHPUCY-HOCLYGCPSA-N 2 1 334.464 1.821 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C3([NH3+])CCOCC3)CC2)cc1 ZINC000353101776 149287019 /nfs/dbraw/zinc/28/70/19/149287019.db2.gz LBWZYZIRBCTUHV-UHFFFAOYSA-N 2 1 347.459 1.237 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)C3([NH3+])CCOCC3)CC2)cc1 ZINC000353101776 149287021 /nfs/dbraw/zinc/28/70/21/149287021.db2.gz LBWZYZIRBCTUHV-UHFFFAOYSA-N 2 1 347.459 1.237 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000369930178 155241193 /nfs/dbraw/zinc/24/11/93/155241193.db2.gz XBXGJPNFGLOULT-IRXDYDNUSA-N 2 1 335.492 1.717 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccccc3C[NH+](C)C)[C@H]2C1 ZINC000355360986 150233640 /nfs/dbraw/zinc/23/36/40/150233640.db2.gz HJKKCTSQYYUDJI-ZWKOTPCHSA-N 2 1 331.460 1.683 20 0 EDADMP C[N@H+](CC(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000355442490 150269596 /nfs/dbraw/zinc/26/95/96/150269596.db2.gz KWUHAIRBURDRSI-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP C[N@@H+](CC(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000355442490 150269600 /nfs/dbraw/zinc/26/96/00/150269600.db2.gz KWUHAIRBURDRSI-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000355658474 150352726 /nfs/dbraw/zinc/35/27/26/150352726.db2.gz KVBVMAPLBMNVCK-HUUCEWRRSA-N 2 1 348.491 1.865 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000355658474 150352728 /nfs/dbraw/zinc/35/27/28/150352728.db2.gz KVBVMAPLBMNVCK-HUUCEWRRSA-N 2 1 348.491 1.865 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NCC[C@@H]1CC[NH2+]C1 ZINC000417039032 304364753 /nfs/dbraw/zinc/36/47/53/304364753.db2.gz URSGDKPJRHCKDX-INIZCTEOSA-N 2 1 330.476 1.734 20 0 EDADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000357553897 151066022 /nfs/dbraw/zinc/06/60/22/151066022.db2.gz PTJZFZSTWGCAOE-BRWVUGGUSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000357553897 151066024 /nfs/dbraw/zinc/06/60/24/151066024.db2.gz PTJZFZSTWGCAOE-BRWVUGGUSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000357553897 151066025 /nfs/dbraw/zinc/06/60/25/151066025.db2.gz PTJZFZSTWGCAOE-BRWVUGGUSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000357580166 151073707 /nfs/dbraw/zinc/07/37/07/151073707.db2.gz TZJGSTBPWROJSX-IEBWSBKVSA-N 2 1 347.503 1.716 20 0 EDADMP COc1ccc(NC(=O)CC[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)cc1 ZINC000357985806 151223098 /nfs/dbraw/zinc/22/30/98/151223098.db2.gz CAMMRIFRCHMZRE-HNNXBMFYSA-N 2 1 349.475 1.801 20 0 EDADMP COc1ccc(NC(=O)CC[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1 ZINC000357985806 151223099 /nfs/dbraw/zinc/22/30/99/151223099.db2.gz CAMMRIFRCHMZRE-HNNXBMFYSA-N 2 1 349.475 1.801 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000358008679 151233035 /nfs/dbraw/zinc/23/30/35/151233035.db2.gz WKSCQMXJYHSMNH-HOTGVXAUSA-N 2 1 328.501 1.374 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000358008679 151233037 /nfs/dbraw/zinc/23/30/37/151233037.db2.gz WKSCQMXJYHSMNH-HOTGVXAUSA-N 2 1 328.501 1.374 20 0 EDADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000358046612 151246857 /nfs/dbraw/zinc/24/68/57/151246857.db2.gz ZSMQZAIHLLCVNF-CRAIPNDOSA-N 2 1 332.492 1.408 20 0 EDADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000358046612 151246860 /nfs/dbraw/zinc/24/68/60/151246860.db2.gz ZSMQZAIHLLCVNF-CRAIPNDOSA-N 2 1 332.492 1.408 20 0 EDADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358066503 151255767 /nfs/dbraw/zinc/25/57/67/151255767.db2.gz NZDLXBFGKXNEIQ-SFHVURJKSA-N 2 1 331.416 1.291 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000358095236 151267867 /nfs/dbraw/zinc/26/78/67/151267867.db2.gz KKFNQXPXGNDDRZ-INIZCTEOSA-N 2 1 349.479 1.031 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000358095236 151267870 /nfs/dbraw/zinc/26/78/70/151267870.db2.gz KKFNQXPXGNDDRZ-INIZCTEOSA-N 2 1 349.479 1.031 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000358433788 151374005 /nfs/dbraw/zinc/37/40/05/151374005.db2.gz IINSHJBDISEBTB-HZPDHXFCSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000358433788 151374007 /nfs/dbraw/zinc/37/40/07/151374007.db2.gz IINSHJBDISEBTB-HZPDHXFCSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000358433788 151374009 /nfs/dbraw/zinc/37/40/09/151374009.db2.gz IINSHJBDISEBTB-HZPDHXFCSA-N 2 1 342.528 1.593 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C12CCC2 ZINC000344178211 286277621 /nfs/dbraw/zinc/27/76/21/286277621.db2.gz VOJSLNPGUKRLJN-IAGOWNOFSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000360400357 152021474 /nfs/dbraw/zinc/02/14/74/152021474.db2.gz ZGSJGZFOJASREG-GDBMZVCRSA-N 2 1 328.526 1.455 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360742718 152180320 /nfs/dbraw/zinc/18/03/20/152180320.db2.gz AIXOKIGNPYLCBL-GOEBONIOSA-N 2 1 328.526 1.549 20 0 EDADMP Cc1cccc(CNC(=O)CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000360973026 152267711 /nfs/dbraw/zinc/26/77/11/152267711.db2.gz RGQUAYQGTGPNDB-LJQANCHMSA-N 2 1 344.503 1.323 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)[C@@H](C)C1 ZINC000361024445 152282321 /nfs/dbraw/zinc/28/23/21/152282321.db2.gz YKMSMJKPXXNNSV-UAGQMJEPSA-N 2 1 335.496 1.628 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCCC1 ZINC000361288018 152354000 /nfs/dbraw/zinc/35/40/00/152354000.db2.gz NSKMWYQLUMDNQM-BBWFWOEESA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)(CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C[NH+]1CCCC1 ZINC000361384579 152379045 /nfs/dbraw/zinc/37/90/45/152379045.db2.gz FRVDEJATWVRMHL-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000361435618 152395094 /nfs/dbraw/zinc/39/50/94/152395094.db2.gz MAUFLAHVWSPZEI-SJLPKXTDSA-N 2 1 326.481 1.889 20 0 EDADMP CCOC(=O)[C@](C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000361435618 152395096 /nfs/dbraw/zinc/39/50/96/152395096.db2.gz MAUFLAHVWSPZEI-SJLPKXTDSA-N 2 1 326.481 1.889 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363180933 152917460 /nfs/dbraw/zinc/91/74/60/152917460.db2.gz OHSJZZWSGOROME-OKZBNKHCSA-N 2 1 334.508 1.988 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NC(=O)N2CCC[NH+](CC(C)(C)O)CC2)[C@@H](C)C1 ZINC000363731179 153041228 /nfs/dbraw/zinc/04/12/28/153041228.db2.gz CYVSEIOSIATXCX-HOTGVXAUSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[NH+]1C[C@H](NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)[C@@H](C)C1 ZINC000363731179 153041232 /nfs/dbraw/zinc/04/12/32/153041232.db2.gz CYVSEIOSIATXCX-HOTGVXAUSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[NH+]1C[C@H](NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)[C@@H](C)C1 ZINC000363731179 153041233 /nfs/dbraw/zinc/04/12/33/153041233.db2.gz CYVSEIOSIATXCX-HOTGVXAUSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000364026966 153126367 /nfs/dbraw/zinc/12/63/67/153126367.db2.gz BOYGMDGYPMAMPZ-GOSISDBHSA-N 2 1 344.503 1.935 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417191637 304382938 /nfs/dbraw/zinc/38/29/38/304382938.db2.gz YCESWGOXKSXSNY-QAPCUYQASA-N 2 1 346.475 1.398 20 0 EDADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000364169952 153162982 /nfs/dbraw/zinc/16/29/82/153162982.db2.gz VOEOQCHXXNRJGV-HOTGVXAUSA-N 2 1 349.479 1.340 20 0 EDADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000364169952 153162983 /nfs/dbraw/zinc/16/29/83/153162983.db2.gz VOEOQCHXXNRJGV-HOTGVXAUSA-N 2 1 349.479 1.340 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@H+]1CCCC1CCOCC1 ZINC000364244657 153184918 /nfs/dbraw/zinc/18/49/18/153184918.db2.gz ZELDLYLYVYVOCE-MJGOQNOKSA-N 2 1 339.524 1.530 20 0 EDADMP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCCC1CCOCC1 ZINC000364244657 153184921 /nfs/dbraw/zinc/18/49/21/153184921.db2.gz ZELDLYLYVYVOCE-MJGOQNOKSA-N 2 1 339.524 1.530 20 0 EDADMP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCC1CCOCC1 ZINC000364244657 153184924 /nfs/dbraw/zinc/18/49/24/153184924.db2.gz ZELDLYLYVYVOCE-MJGOQNOKSA-N 2 1 339.524 1.530 20 0 EDADMP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCCC1CCOCC1 ZINC000364244657 153184932 /nfs/dbraw/zinc/18/49/32/153184932.db2.gz ZELDLYLYVYVOCE-MJGOQNOKSA-N 2 1 339.524 1.530 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000364249812 153186314 /nfs/dbraw/zinc/18/63/14/153186314.db2.gz MCHYVCOKMNIQBG-OAGGEKHMSA-N 2 1 325.497 1.770 20 0 EDADMP CC[N@H+]1CCC[C@@H](CN(C)C(=O)C[NH+](C)C(C)C)[C@@H]1c1cnn(C)c1 ZINC000364675019 153300350 /nfs/dbraw/zinc/30/03/50/153300350.db2.gz RJYBPQQFOPRXFI-QFBILLFUSA-N 2 1 349.523 1.992 20 0 EDADMP CC[NH+]1CCC[C@@H](CN(C)C(=O)C[N@H+](C)C(C)C)[C@@H]1c1cnn(C)c1 ZINC000364675019 153300354 /nfs/dbraw/zinc/30/03/54/153300354.db2.gz RJYBPQQFOPRXFI-QFBILLFUSA-N 2 1 349.523 1.992 20 0 EDADMP CC[NH+]1CCC[C@@H](CN(C)C(=O)C[N@@H+](C)C(C)C)[C@@H]1c1cnn(C)c1 ZINC000364675019 153300356 /nfs/dbraw/zinc/30/03/56/153300356.db2.gz RJYBPQQFOPRXFI-QFBILLFUSA-N 2 1 349.523 1.992 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H]1C ZINC000364923602 153370701 /nfs/dbraw/zinc/37/07/01/153370701.db2.gz YDOSXUDNHSOCAU-OWCLPIDISA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1C ZINC000364923602 153370702 /nfs/dbraw/zinc/37/07/02/153370702.db2.gz YDOSXUDNHSOCAU-OWCLPIDISA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H]1C ZINC000364923602 153370703 /nfs/dbraw/zinc/37/07/03/153370703.db2.gz YDOSXUDNHSOCAU-OWCLPIDISA-N 2 1 338.496 1.100 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCC2(CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000417232258 304386106 /nfs/dbraw/zinc/38/61/06/304386106.db2.gz PNUDJRFGUCCWGY-UHFFFAOYSA-N 2 1 330.476 1.904 20 0 EDADMP CCc1nc(CN2C[C@@H]3C[NH+](CCCn4cc[nH+]c4C)C[C@H]3C2)no1 ZINC000367116577 154012832 /nfs/dbraw/zinc/01/28/32/154012832.db2.gz FELJUWRWDKBAST-HOTGVXAUSA-N 2 1 344.463 1.591 20 0 EDADMP CCn1nccc1C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000367219096 154045149 /nfs/dbraw/zinc/04/51/49/154045149.db2.gz LMTFBTDTUBVGLK-UHFFFAOYSA-N 2 1 333.480 1.247 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000371926498 156167991 /nfs/dbraw/zinc/16/79/91/156167991.db2.gz IXDHMCVXPSQGHM-CRAIPNDOSA-N 2 1 345.491 1.582 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(n3cc(Cl)cn3)CC2)CC1 ZINC000374776747 157397129 /nfs/dbraw/zinc/39/71/29/157397129.db2.gz GRDNAWURPLGESZ-UHFFFAOYSA-N 2 1 339.871 1.338 20 0 EDADMP C[NH+]1CCC2(CCCN(c3cc[nH+]c(N4CCOCC4)n3)C2)CC1 ZINC000375999153 157709729 /nfs/dbraw/zinc/70/97/29/157709729.db2.gz JRXVPKPVJNOVNS-UHFFFAOYSA-N 2 1 331.464 1.625 20 0 EDADMP Cn1cc([C@H]2[C@H](CNC(=O)C34CCC[NH+]3CCC4)CCC[N@H+]2C)cn1 ZINC000377952037 158038120 /nfs/dbraw/zinc/03/81/20/158038120.db2.gz UAQWIZRSUGZZGL-DOTOQJQBSA-N 2 1 345.491 1.548 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000377966707 158041778 /nfs/dbraw/zinc/04/17/78/158041778.db2.gz YEBXPQVUBPLFLV-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000377966707 158041782 /nfs/dbraw/zinc/04/17/82/158041782.db2.gz YEBXPQVUBPLFLV-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3c[nH]c4nccnc34)C2)CC1 ZINC000378128027 158086759 /nfs/dbraw/zinc/08/67/59/158086759.db2.gz HRIGONLZFFJCSH-OAHLLOKOSA-N 2 1 328.464 1.369 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)NCC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000378204437 158108730 /nfs/dbraw/zinc/10/87/30/158108730.db2.gz WAFYNPOXDAQRKK-SFHVURJKSA-N 2 1 338.540 1.961 20 0 EDADMP CC(C)(C[N@H+]1CCn2ccnc2C1)C(=O)NCCCn1ccnc1 ZINC000378518376 158197456 /nfs/dbraw/zinc/19/74/56/158197456.db2.gz RUOCVACMXIVECX-UHFFFAOYSA-N 2 1 330.436 1.128 20 0 EDADMP [NH3+][C@H](C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)C1CCC1 ZINC000423091476 304885683 /nfs/dbraw/zinc/88/56/83/304885683.db2.gz XDRVSPNIKYEFFK-ZDUSSCGKSA-N 2 1 337.386 1.227 20 0 EDADMP Cc1ncc2n1CC[C@@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000352149636 162015014 /nfs/dbraw/zinc/01/50/14/162015014.db2.gz UKBBHXJHLJUKFC-IJEWVQPXSA-N 2 1 334.464 1.369 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000352208393 162050774 /nfs/dbraw/zinc/05/07/74/162050774.db2.gz NDQKZXHWDFLWNI-IRXDYDNUSA-N 2 1 342.528 1.859 20 0 EDADMP O=C(NC1CCN(Cc2ccccn2)CC1)[C@H]1CCCc2nccn21 ZINC000352453610 162189038 /nfs/dbraw/zinc/18/90/38/162189038.db2.gz PBUDVJNTIIGROQ-QGZVFWFLSA-N 2 1 339.443 1.936 20 0 EDADMP CCc1oc(C(=O)OC)cc1CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000364228740 162321247 /nfs/dbraw/zinc/32/12/47/162321247.db2.gz FFALTTNKGCAKKR-INIZCTEOSA-N 2 1 349.475 1.840 20 0 EDADMP CCc1ccccc1CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364459599 162331188 /nfs/dbraw/zinc/33/11/88/162331188.db2.gz KBWPTPGFZQMCNJ-UHFFFAOYSA-N 2 1 332.488 1.951 20 0 EDADMP Cc1cccc(OCCNC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158662815 225062049 /nfs/dbraw/zinc/06/20/49/225062049.db2.gz ROPGZPFXMBGKTD-MJGOQNOKSA-N 2 1 345.487 1.906 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123489804 222285478 /nfs/dbraw/zinc/28/54/78/222285478.db2.gz WLUJSKXXDXTOAR-WBAXXEDZSA-N 2 1 349.475 1.799 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123489804 222285481 /nfs/dbraw/zinc/28/54/81/222285481.db2.gz WLUJSKXXDXTOAR-WBAXXEDZSA-N 2 1 349.475 1.799 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123489804 222285487 /nfs/dbraw/zinc/28/54/87/222285487.db2.gz WLUJSKXXDXTOAR-WBAXXEDZSA-N 2 1 349.475 1.799 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123489804 222285490 /nfs/dbraw/zinc/28/54/90/222285490.db2.gz WLUJSKXXDXTOAR-WBAXXEDZSA-N 2 1 349.475 1.799 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](OC(F)F)C1 ZINC000665763106 452344338 /nfs/dbraw/zinc/34/43/38/452344338.db2.gz YYMJXGGQFKVDNQ-STQMWFEESA-N 2 1 336.427 1.282 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](OC(F)F)C1 ZINC000665763106 452344349 /nfs/dbraw/zinc/34/43/49/452344349.db2.gz YYMJXGGQFKVDNQ-STQMWFEESA-N 2 1 336.427 1.282 20 0 EDADMP CC[N@H+](CCNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000654419844 452472626 /nfs/dbraw/zinc/47/26/26/452472626.db2.gz MABJSPYIHGZEDT-KFWWJZLASA-N 2 1 326.485 1.268 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000654419844 452472631 /nfs/dbraw/zinc/47/26/31/452472631.db2.gz MABJSPYIHGZEDT-KFWWJZLASA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+](CCNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000654419844 452472637 /nfs/dbraw/zinc/47/26/37/452472637.db2.gz MABJSPYIHGZEDT-KFWWJZLASA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+](CCNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000654419844 452472644 /nfs/dbraw/zinc/47/26/44/452472644.db2.gz MABJSPYIHGZEDT-KFWWJZLASA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000274587335 268164625 /nfs/dbraw/zinc/16/46/25/268164625.db2.gz MORWHYVJBZGZMU-MRXNPFEDSA-N 2 1 328.464 1.383 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000274705171 268188792 /nfs/dbraw/zinc/18/87/92/268188792.db2.gz YZTBIEYEIXWVMI-ZDUSSCGKSA-N 2 1 326.400 1.856 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000275554979 268359878 /nfs/dbraw/zinc/35/98/78/268359878.db2.gz AKMCOFVIYAKZBB-GOSISDBHSA-N 2 1 346.475 1.282 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275554979 268359880 /nfs/dbraw/zinc/35/98/80/268359880.db2.gz AKMCOFVIYAKZBB-GOSISDBHSA-N 2 1 346.475 1.282 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275554979 268359881 /nfs/dbraw/zinc/35/98/81/268359881.db2.gz AKMCOFVIYAKZBB-GOSISDBHSA-N 2 1 346.475 1.282 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278978807 268761161 /nfs/dbraw/zinc/76/11/61/268761161.db2.gz JUCMZQNNJIQGSE-HZPDHXFCSA-N 2 1 339.443 1.491 20 0 EDADMP C[C@H](C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000273564217 273045138 /nfs/dbraw/zinc/04/51/38/273045138.db2.gz XALIWYZSUOIEGS-MRXNPFEDSA-N 2 1 348.491 1.338 20 0 EDADMP CC[NH+](CC)CCCN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000276265984 273156478 /nfs/dbraw/zinc/15/64/78/273156478.db2.gz BWUJDXHNNLQPGR-LJQANCHMSA-N 2 1 349.519 1.776 20 0 EDADMP C[NH+](C)C[C@H]1CN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000284055889 274063597 /nfs/dbraw/zinc/06/35/97/274063597.db2.gz JVHDGQHSQNZTFI-PMACEKPBSA-N 2 1 347.503 1.540 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@]2(CCOC)CC[NH2+]C2)c1 ZINC000372103818 276075984 /nfs/dbraw/zinc/07/59/84/276075984.db2.gz WRGFVTMRKFDMLO-IBGZPJMESA-N 2 1 333.476 1.771 20 0 EDADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000348303530 276109304 /nfs/dbraw/zinc/10/93/04/276109304.db2.gz PPMWLIWTWKISSY-QZTJIDSGSA-N 3 1 338.540 1.641 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@H]32)CC1 ZINC000362483593 276150221 /nfs/dbraw/zinc/15/02/21/276150221.db2.gz IXOSETJQHYLDFS-HZPDHXFCSA-N 2 1 325.522 1.947 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000331360518 276150256 /nfs/dbraw/zinc/15/02/56/276150256.db2.gz XXCBWIKJJVEMBF-HZPDHXFCSA-N 2 1 325.497 1.316 20 0 EDADMP CC1CC[NH+](CCN2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@H]2C)CC1 ZINC000368396293 276197252 /nfs/dbraw/zinc/19/72/52/276197252.db2.gz BEUWBVRNPZUYOP-MOPGFXCFSA-N 2 1 338.540 1.055 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)N3CCCCCC3)C2)CC1 ZINC000107370101 276201440 /nfs/dbraw/zinc/20/14/40/276201440.db2.gz KEMXZOKQJXBVSP-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262659836 276384109 /nfs/dbraw/zinc/38/41/09/276384109.db2.gz WUGCAMBCVNHNSF-KURKYZTESA-N 2 1 336.524 1.441 20 0 EDADMP CC(C)(CNC(=O)N1CCO[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417088682 277300577 /nfs/dbraw/zinc/30/05/77/277300577.db2.gz LLVUSVXVUWFNGQ-QGZVFWFLSA-N 2 1 346.475 1.192 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H](Cc2ccccc2)[NH+](C)C)[N@H+](C)C1 ZINC000346699256 277310009 /nfs/dbraw/zinc/31/00/09/277310009.db2.gz CJJGDUOEVLJHDB-KURKYZTESA-N 2 1 333.476 1.337 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H](Cc2ccccc2)[NH+](C)C)[N@@H+](C)C1 ZINC000346699256 277310010 /nfs/dbraw/zinc/31/00/10/277310010.db2.gz CJJGDUOEVLJHDB-KURKYZTESA-N 2 1 333.476 1.337 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000341882622 277391858 /nfs/dbraw/zinc/39/18/58/277391858.db2.gz JGRAGHUZRXPPLS-SJORKVTESA-N 2 1 325.497 1.439 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000369662025 279097422 /nfs/dbraw/zinc/09/74/22/279097422.db2.gz QNEBIUSEEPRZNB-UHFFFAOYSA-N 2 1 328.501 1.472 20 0 EDADMP CC(C)C[C@H](CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCCC2)[NH+]1CCOCC1 ZINC000357196063 279160112 /nfs/dbraw/zinc/16/01/12/279160112.db2.gz YUNWSVAXCVSRHW-SCTDSRPQSA-N 2 1 337.508 1.629 20 0 EDADMP C[C@H](C(=O)N1CC[NH2+]C[C@H]1c1nccn1C)[C@H]([NH3+])c1ccccc1 ZINC000375071471 279199809 /nfs/dbraw/zinc/19/98/09/279199809.db2.gz OQGPYTCUOOTTID-BPUTZDHNSA-N 2 1 327.432 1.229 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1nc(C)no1 ZINC000337582162 279302283 /nfs/dbraw/zinc/30/22/83/279302283.db2.gz ORRJNDCXUROLFQ-OAHLLOKOSA-N 2 1 337.468 1.185 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)C[NH+]1CCCC1 ZINC000369659517 279333415 /nfs/dbraw/zinc/33/34/15/279333415.db2.gz UNYAQKOLJBNMTJ-VSZNYVQBSA-N 2 1 334.508 1.844 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H](C)O1 ZINC000351477577 288192628 /nfs/dbraw/zinc/19/26/28/288192628.db2.gz NTMSMGRDBHDUIQ-XYVMCAHJSA-N 2 1 325.497 1.015 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000373139467 280142643 /nfs/dbraw/zinc/14/26/43/280142643.db2.gz OHHFJHDADCQITK-BRWVUGGUSA-N 2 1 337.508 1.722 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2c(C)ccnc2C)CC1 ZINC000287543601 288261996 /nfs/dbraw/zinc/26/19/96/288261996.db2.gz OLHSCJPHSSSHGP-CYBMUJFWSA-N 2 1 334.420 1.800 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H]2CCOC2)CC1 ZINC000264380574 281342312 /nfs/dbraw/zinc/34/23/12/281342312.db2.gz CCCLLAMKWJOBPL-IBGZPJMESA-N 2 1 345.487 1.750 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H]2CCOC2)CC1 ZINC000264380574 281342316 /nfs/dbraw/zinc/34/23/16/281342316.db2.gz CCCLLAMKWJOBPL-IBGZPJMESA-N 2 1 345.487 1.750 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCOC2)CC1 ZINC000264380574 281342319 /nfs/dbraw/zinc/34/23/19/281342319.db2.gz CCCLLAMKWJOBPL-IBGZPJMESA-N 2 1 345.487 1.750 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCOC2)CC1 ZINC000264380574 281342320 /nfs/dbraw/zinc/34/23/20/281342320.db2.gz CCCLLAMKWJOBPL-IBGZPJMESA-N 2 1 345.487 1.750 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000377200926 289204732 /nfs/dbraw/zinc/20/47/32/289204732.db2.gz CFTUWAHCINWLIT-AEFFLSMTSA-N 2 1 340.512 1.395 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248040612 289221419 /nfs/dbraw/zinc/22/14/19/289221419.db2.gz LXUPWAQYZRADNY-XYJFISCASA-N 2 1 334.464 1.044 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000292082289 289257078 /nfs/dbraw/zinc/25/70/78/289257078.db2.gz MGNNQJARXIPIRY-SJLPKXTDSA-N 2 1 332.492 1.609 20 0 EDADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccc4c(c3)OCO4)C2)C1 ZINC000292108727 289262797 /nfs/dbraw/zinc/26/27/97/289262797.db2.gz IVFMBEHCLQLJGG-SFHVURJKSA-N 2 1 331.416 1.772 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3ccc4c(c3)OCO4)C2)C1 ZINC000292108727 289262799 /nfs/dbraw/zinc/26/27/99/289262799.db2.gz IVFMBEHCLQLJGG-SFHVURJKSA-N 2 1 331.416 1.772 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3ccc4c(c3)OCO4)C2)C1 ZINC000292108727 289262801 /nfs/dbraw/zinc/26/28/01/289262801.db2.gz IVFMBEHCLQLJGG-SFHVURJKSA-N 2 1 331.416 1.772 20 0 EDADMP Cc1nnc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)[nH]1 ZINC000292623867 289397753 /nfs/dbraw/zinc/39/77/53/289397753.db2.gz YEIGUSDQWWYVSZ-GOSISDBHSA-N 2 1 343.475 1.991 20 0 EDADMP Cc1nnc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)[nH]1 ZINC000292623867 289397758 /nfs/dbraw/zinc/39/77/58/289397758.db2.gz YEIGUSDQWWYVSZ-GOSISDBHSA-N 2 1 343.475 1.991 20 0 EDADMP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351848 298046000 /nfs/dbraw/zinc/04/60/00/298046000.db2.gz XVPZFCJYPPWOTM-AEFFLSMTSA-N 2 1 342.487 1.334 20 0 EDADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261868356 298120906 /nfs/dbraw/zinc/12/09/06/298120906.db2.gz XDMRNPKFOIUSRX-BMFZPTHFSA-N 2 1 346.475 1.674 20 0 EDADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261868356 298120907 /nfs/dbraw/zinc/12/09/07/298120907.db2.gz XDMRNPKFOIUSRX-BMFZPTHFSA-N 2 1 346.475 1.674 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000666924034 453246967 /nfs/dbraw/zinc/24/69/67/453246967.db2.gz XIYBWUCGYHOUFV-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000666924034 453246976 /nfs/dbraw/zinc/24/69/76/453246976.db2.gz XIYBWUCGYHOUFV-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000372855776 447318469 /nfs/dbraw/zinc/31/84/69/447318469.db2.gz ILJSAISYENPRGJ-SFHVURJKSA-N 2 1 348.466 1.106 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000651195577 453349365 /nfs/dbraw/zinc/34/93/65/453349365.db2.gz RVSPWIXUAKNSNC-CALCHBBNSA-N 2 1 342.528 1.715 20 0 EDADMP CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cc(C)c2nccn2c1 ZINC000293954782 303043772 /nfs/dbraw/zinc/04/37/72/303043772.db2.gz SHXDWTOJHHEZLQ-AWEZNQCLSA-N 2 1 326.360 1.052 20 0 EDADMP COC[C@]1(C)CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000296875103 303343963 /nfs/dbraw/zinc/34/39/63/303343963.db2.gz UUCJWDSUOUMGOE-PKOBYXMFSA-N 2 1 333.476 1.764 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458386817 447339851 /nfs/dbraw/zinc/33/98/51/447339851.db2.gz WVYPKBAMMIGVBV-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458386817 447339855 /nfs/dbraw/zinc/33/98/55/447339855.db2.gz WVYPKBAMMIGVBV-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP CC(C)C[C@H](N[C@H](C)C[C@H]1CCCCC[NH2+]1)C(=O)NCC[NH+](C)C ZINC000423021416 304883347 /nfs/dbraw/zinc/88/33/47/304883347.db2.gz CAHFKQZYYXVXEQ-KURKYZTESA-N 2 1 340.556 1.979 20 0 EDADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423302387 304891994 /nfs/dbraw/zinc/89/19/94/304891994.db2.gz HHYHDIZGBYXVPK-YUMQZZPRSA-N 2 1 340.276 1.886 20 0 EDADMP [NH3+]C[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430573716 305056509 /nfs/dbraw/zinc/05/65/09/305056509.db2.gz MPSAOKCFBKTRMI-QGZVFWFLSA-N 2 1 334.439 1.288 20 0 EDADMP [NH3+]C[C@H]1CCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430573716 305056510 /nfs/dbraw/zinc/05/65/10/305056510.db2.gz MPSAOKCFBKTRMI-QGZVFWFLSA-N 2 1 334.439 1.288 20 0 EDADMP C[C@](C[NH3+])([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CC1 ZINC000430582431 305056891 /nfs/dbraw/zinc/05/68/91/305056891.db2.gz WMZNIBZBBAZNAB-LJQANCHMSA-N 2 1 344.459 1.859 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000430584902 305057208 /nfs/dbraw/zinc/05/72/08/305057208.db2.gz QEAKEQBVQBTLHC-HUUCEWRRSA-N 2 1 337.439 1.770 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000430584902 305057209 /nfs/dbraw/zinc/05/72/09/305057209.db2.gz QEAKEQBVQBTLHC-HUUCEWRRSA-N 2 1 337.439 1.770 20 0 EDADMP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000430633091 305060441 /nfs/dbraw/zinc/06/04/41/305060441.db2.gz BIIBJPUTPIFQCQ-JKSUJKDBSA-N 2 1 346.475 1.215 20 0 EDADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430639686 305060818 /nfs/dbraw/zinc/06/08/18/305060818.db2.gz IOELBDIZUOOFTJ-UKRRQHHQSA-N 2 1 343.431 1.585 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CC[NH2+]CC1 ZINC000430662381 305061839 /nfs/dbraw/zinc/06/18/39/305061839.db2.gz HYOXAYCFQUWGEF-UHFFFAOYSA-N 2 1 344.459 1.826 20 0 EDADMP COCC[C@@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430680320 305062206 /nfs/dbraw/zinc/06/22/06/305062206.db2.gz ONUNEFSRLUPRFU-ICSRJNTNSA-N 2 1 345.487 1.783 20 0 EDADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)COC1C[NH2+]C1 ZINC000430759233 305064259 /nfs/dbraw/zinc/06/42/59/305064259.db2.gz FPNRKARXIFHDMX-SFHVURJKSA-N 2 1 345.487 1.564 20 0 EDADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000430937291 305069508 /nfs/dbraw/zinc/06/95/08/305069508.db2.gz ARRUGSDUSHXCON-UHFFFAOYSA-N 2 1 344.459 1.683 20 0 EDADMP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC000430950788 305070408 /nfs/dbraw/zinc/07/04/08/305070408.db2.gz SLCBHQZXWMRCFI-IAGOWNOFSA-N 2 1 330.476 1.013 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000433162317 305102208 /nfs/dbraw/zinc/10/22/08/305102208.db2.gz UHOMLOFTHNJACF-KRWDZBQOSA-N 2 1 336.455 1.295 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433387265 305107500 /nfs/dbraw/zinc/10/75/00/305107500.db2.gz GESXUYFQVBHBCB-CABCVRRESA-N 2 1 334.468 1.053 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000434398243 305121797 /nfs/dbraw/zinc/12/17/97/305121797.db2.gz ZVSSMUBMWFOTKY-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000434398243 305121798 /nfs/dbraw/zinc/12/17/98/305121798.db2.gz ZVSSMUBMWFOTKY-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000434398243 305121799 /nfs/dbraw/zinc/12/17/99/305121799.db2.gz ZVSSMUBMWFOTKY-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000434398243 305121800 /nfs/dbraw/zinc/12/18/00/305121800.db2.gz ZVSSMUBMWFOTKY-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)ccn1 ZINC000434446981 305122761 /nfs/dbraw/zinc/12/27/61/305122761.db2.gz SFNQHYQVHXKHEM-QGZVFWFLSA-N 2 1 346.475 1.769 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1C ZINC000435565474 305142692 /nfs/dbraw/zinc/14/26/92/305142692.db2.gz SJPCEGORLHLJFN-KBPBESRZSA-N 2 1 336.484 1.500 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1C ZINC000435565474 305142693 /nfs/dbraw/zinc/14/26/93/305142693.db2.gz SJPCEGORLHLJFN-KBPBESRZSA-N 2 1 336.484 1.500 20 0 EDADMP CCC[N@@H+](C)CC(=O)N(Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435572403 305142840 /nfs/dbraw/zinc/14/28/40/305142840.db2.gz FIVOVOOGZIIRAT-MRXNPFEDSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440164309 305204021 /nfs/dbraw/zinc/20/40/21/305204021.db2.gz OIARBCHUSDHLAY-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440164309 305204022 /nfs/dbraw/zinc/20/40/22/305204022.db2.gz OIARBCHUSDHLAY-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440164309 305204023 /nfs/dbraw/zinc/20/40/23/305204023.db2.gz OIARBCHUSDHLAY-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000441020912 305216696 /nfs/dbraw/zinc/21/66/96/305216696.db2.gz PCQAZAIZRQJYFP-OAHLLOKOSA-N 2 1 327.517 1.042 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442759110 305229657 /nfs/dbraw/zinc/22/96/57/305229657.db2.gz QECYJNGQTMDXBM-JKSUJKDBSA-N 2 1 333.476 1.899 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442759110 305229658 /nfs/dbraw/zinc/22/96/58/305229658.db2.gz QECYJNGQTMDXBM-JKSUJKDBSA-N 2 1 333.476 1.899 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443066459 305234343 /nfs/dbraw/zinc/23/43/43/305234343.db2.gz FEHREAXWWYDJAY-KRWDZBQOSA-N 2 1 333.476 1.859 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000444541273 305250108 /nfs/dbraw/zinc/25/01/08/305250108.db2.gz BOPJDBXXLCLWAZ-OAHLLOKOSA-N 2 1 345.553 1.365 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000444541273 305250109 /nfs/dbraw/zinc/25/01/09/305250109.db2.gz BOPJDBXXLCLWAZ-OAHLLOKOSA-N 2 1 345.553 1.365 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000414901090 447349243 /nfs/dbraw/zinc/34/92/43/447349243.db2.gz IAWMXTYZFAJVLT-OAHLLOKOSA-N 2 1 346.475 1.535 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCOC(C)C)C2)CC1 ZINC000451541502 305352202 /nfs/dbraw/zinc/35/22/02/305352202.db2.gz ZHFGCIDGDIQJJN-SFHVURJKSA-N 2 1 325.497 1.678 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCOC(C)C)C2)CC1 ZINC000451541502 305352203 /nfs/dbraw/zinc/35/22/03/305352203.db2.gz ZHFGCIDGDIQJJN-SFHVURJKSA-N 2 1 325.497 1.678 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCOC(C)C)C2)CC1 ZINC000451541502 305352204 /nfs/dbraw/zinc/35/22/04/305352204.db2.gz ZHFGCIDGDIQJJN-SFHVURJKSA-N 2 1 325.497 1.678 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCOC(C)C)C2)CC1 ZINC000451541502 305352205 /nfs/dbraw/zinc/35/22/05/305352205.db2.gz ZHFGCIDGDIQJJN-SFHVURJKSA-N 2 1 325.497 1.678 20 0 EDADMP O=C(C[N@H+]1CCC[C@]2(CCSC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000451970136 305375174 /nfs/dbraw/zinc/37/51/74/305375174.db2.gz XURLAUONEZGIKU-SFHVURJKSA-N 2 1 337.533 1.949 20 0 EDADMP C[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000458420133 447357154 /nfs/dbraw/zinc/35/71/54/447357154.db2.gz PMHNQVYLYWAKEL-HNNXBMFYSA-N 2 1 328.501 1.374 20 0 EDADMP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000377789917 447358530 /nfs/dbraw/zinc/35/85/30/447358530.db2.gz YGNYPHIVWLRTDX-JKSUJKDBSA-N 2 1 325.497 1.437 20 0 EDADMP CSC1(CNC(=O)Cn2c[nH+]c3c2CCCC3)CC[NH+](C)CC1 ZINC000517638608 305754534 /nfs/dbraw/zinc/75/45/34/305754534.db2.gz ISXVCJWINOXMME-UHFFFAOYSA-N 2 1 336.505 1.706 20 0 EDADMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(CO)o3)cn2)CC1 ZINC000525181027 305823386 /nfs/dbraw/zinc/82/33/86/305823386.db2.gz TUIVTOZGPDQTJF-UHFFFAOYSA-N 2 1 330.432 1.599 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000414944100 447367418 /nfs/dbraw/zinc/36/74/18/447367418.db2.gz NJLUIYDJYDHATP-BBRMVZONSA-N 2 1 332.448 1.189 20 0 EDADMP CC(C)[N@H+](C)CC1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000542772499 306057822 /nfs/dbraw/zinc/05/78/22/306057822.db2.gz QYQNJGNASJXYTK-UHFFFAOYSA-N 2 1 333.480 1.870 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000542772499 306057823 /nfs/dbraw/zinc/05/78/23/306057823.db2.gz QYQNJGNASJXYTK-UHFFFAOYSA-N 2 1 333.480 1.870 20 0 EDADMP CO[C@@H]1CCCC[C@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000549559337 306146822 /nfs/dbraw/zinc/14/68/22/306146822.db2.gz HAYTYEJURCWORA-RHSMWYFYSA-N 2 1 332.448 1.977 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000553146170 306182914 /nfs/dbraw/zinc/18/29/14/306182914.db2.gz COUPWSIJRHFMLD-UHFFFAOYSA-N 3 1 326.529 1.450 20 0 EDADMP CC(C)[NH+](CCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)C(C)C ZINC000554217676 306189742 /nfs/dbraw/zinc/18/97/42/306189742.db2.gz DIXBTLQSNVJIDN-CVEARBPZSA-N 2 1 328.501 1.202 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000554509711 306193900 /nfs/dbraw/zinc/19/39/00/306193900.db2.gz HGEYKDXRNICKFA-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)NC1CC([NH+]2CCCCC2)C1 ZINC000556760623 306216324 /nfs/dbraw/zinc/21/63/24/306216324.db2.gz KZLBFMYGOXIQLL-CGZBRXJRSA-N 2 1 338.496 1.149 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)Cn3cccn3)CC2)CC1 ZINC000557515284 306228881 /nfs/dbraw/zinc/22/88/81/306228881.db2.gz UBUFXZAUFAMYGK-MRXNPFEDSA-N 2 1 347.507 1.584 20 0 EDADMP C[N@@H+](CCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)C1CC1 ZINC000419724765 447374706 /nfs/dbraw/zinc/37/47/06/447374706.db2.gz FLUSRMVAMWGEIE-UHFFFAOYSA-N 2 1 345.896 1.951 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000458544919 447407103 /nfs/dbraw/zinc/40/71/03/447407103.db2.gz VPOHHNLEGRLMOU-SJORKVTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000458544919 447407106 /nfs/dbraw/zinc/40/71/06/447407106.db2.gz VPOHHNLEGRLMOU-SJORKVTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000458544919 447407108 /nfs/dbraw/zinc/40/71/08/447407108.db2.gz VPOHHNLEGRLMOU-SJORKVTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000458544914 447407160 /nfs/dbraw/zinc/40/71/60/447407160.db2.gz VPOHHNLEGRLMOU-DLBZAZTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000458544914 447407165 /nfs/dbraw/zinc/40/71/65/447407165.db2.gz VPOHHNLEGRLMOU-DLBZAZTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000458544914 447407170 /nfs/dbraw/zinc/40/71/70/447407170.db2.gz VPOHHNLEGRLMOU-DLBZAZTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)[NH+](CC(N)=O)Cc1ccc(C[N@H+](CC(N)=O)C(C)C)cc1 ZINC000014927065 441191265 /nfs/dbraw/zinc/19/12/65/441191265.db2.gz VCJCGXKBCOPCBF-UHFFFAOYSA-N 2 1 334.464 1.078 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1n[nH]c2c1CCCC2 ZINC000101518513 441155805 /nfs/dbraw/zinc/15/58/05/441155805.db2.gz RNOKAKCVQIYYFB-OAHLLOKOSA-N 2 1 347.507 1.777 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000105103716 441233949 /nfs/dbraw/zinc/23/39/49/441233949.db2.gz ZSCMPZTWDKDXKE-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCCC[NH+]1CCCC1 ZINC000081231015 441241623 /nfs/dbraw/zinc/24/16/23/441241623.db2.gz LWDIYNAEQGVIBP-IBGZPJMESA-N 2 1 345.487 1.880 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCC[NH+]1CCCC1 ZINC000081231015 441241627 /nfs/dbraw/zinc/24/16/27/441241627.db2.gz LWDIYNAEQGVIBP-IBGZPJMESA-N 2 1 345.487 1.880 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)CC1 ZINC000105923740 441317207 /nfs/dbraw/zinc/31/72/07/441317207.db2.gz GDBVVPGFYZGTCZ-QGZVFWFLSA-N 2 1 333.480 1.429 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)CC1 ZINC000105923740 441317212 /nfs/dbraw/zinc/31/72/12/441317212.db2.gz GDBVVPGFYZGTCZ-QGZVFWFLSA-N 2 1 333.480 1.429 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(=O)NC)cc3)C2)CC1 ZINC000109025734 441485614 /nfs/dbraw/zinc/48/56/14/441485614.db2.gz TVSCLJWSVHSHCN-SFHVURJKSA-N 2 1 330.476 1.258 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000112216150 441546467 /nfs/dbraw/zinc/54/64/67/441546467.db2.gz DFUNXEREZNJGCW-IAGOWNOFSA-N 2 1 338.496 1.082 20 0 EDADMP C[N@H+](CCCS(N)(=O)=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110079 441599351 /nfs/dbraw/zinc/59/93/51/441599351.db2.gz PUKUMNCBXKRIAN-MRXNPFEDSA-N 2 1 325.478 1.119 20 0 EDADMP C[N@@H+](CCCS(N)(=O)=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110079 441599356 /nfs/dbraw/zinc/59/93/56/441599356.db2.gz PUKUMNCBXKRIAN-MRXNPFEDSA-N 2 1 325.478 1.119 20 0 EDADMP C[NH+](CCCS(N)(=O)=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110079 441599357 /nfs/dbraw/zinc/59/93/57/441599357.db2.gz PUKUMNCBXKRIAN-MRXNPFEDSA-N 2 1 325.478 1.119 20 0 EDADMP C[NH+](CCCS(N)(=O)=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110079 441599361 /nfs/dbraw/zinc/59/93/61/441599361.db2.gz PUKUMNCBXKRIAN-MRXNPFEDSA-N 2 1 325.478 1.119 20 0 EDADMP C[N@H+](CCCS(N)(=O)=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110078 441599547 /nfs/dbraw/zinc/59/95/47/441599547.db2.gz PUKUMNCBXKRIAN-INIZCTEOSA-N 2 1 325.478 1.119 20 0 EDADMP C[N@@H+](CCCS(N)(=O)=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110078 441599548 /nfs/dbraw/zinc/59/95/48/441599548.db2.gz PUKUMNCBXKRIAN-INIZCTEOSA-N 2 1 325.478 1.119 20 0 EDADMP C[NH+](CCCS(N)(=O)=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110078 441599549 /nfs/dbraw/zinc/59/95/49/441599549.db2.gz PUKUMNCBXKRIAN-INIZCTEOSA-N 2 1 325.478 1.119 20 0 EDADMP C[NH+](CCCS(N)(=O)=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110078 441599550 /nfs/dbraw/zinc/59/95/50/441599550.db2.gz PUKUMNCBXKRIAN-INIZCTEOSA-N 2 1 325.478 1.119 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090121589 441621929 /nfs/dbraw/zinc/62/19/29/441621929.db2.gz NDWWKJQZEAQCSF-RBUKOAKNSA-N 2 1 344.503 1.694 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090121589 441621934 /nfs/dbraw/zinc/62/19/34/441621934.db2.gz NDWWKJQZEAQCSF-RBUKOAKNSA-N 3 1 344.503 1.694 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090121589 441621938 /nfs/dbraw/zinc/62/19/38/441621938.db2.gz NDWWKJQZEAQCSF-RBUKOAKNSA-N 3 1 344.503 1.694 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)(C)O ZINC000114486724 441664151 /nfs/dbraw/zinc/66/41/51/441664151.db2.gz OTNMKKMLNPGRTR-UHFFFAOYSA-N 2 1 347.503 1.991 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000067782017 441678505 /nfs/dbraw/zinc/67/85/05/441678505.db2.gz ANFJIPDPTULABP-INIZCTEOSA-N 2 1 346.475 1.533 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000121492820 441716404 /nfs/dbraw/zinc/71/64/04/441716404.db2.gz WMMQRRIAAQAAFK-KRWDZBQOSA-N 2 1 349.523 1.214 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000137076633 441744448 /nfs/dbraw/zinc/74/44/48/441744448.db2.gz IEDJNPWTPLNFOD-GOEBONIOSA-N 2 1 332.448 1.331 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000173673083 441821647 /nfs/dbraw/zinc/82/16/47/441821647.db2.gz KRCRAZYOHPOFLN-ULQDDVLXSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000173673083 441821649 /nfs/dbraw/zinc/82/16/49/441821649.db2.gz KRCRAZYOHPOFLN-ULQDDVLXSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000077774471 441857556 /nfs/dbraw/zinc/85/75/56/441857556.db2.gz VOYMXQMWTOQTPK-IYBDPMFKSA-N 2 1 340.512 1.110 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000077800623 441863216 /nfs/dbraw/zinc/86/32/16/441863216.db2.gz GDJNSYUFUASEFQ-UHFFFAOYSA-N 2 1 348.491 1.394 20 0 EDADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@H+]1CCCC[C@@H]1C ZINC000077774245 441857114 /nfs/dbraw/zinc/85/71/14/441857114.db2.gz BACGGJBNCJQGKB-IRXDYDNUSA-N 3 1 341.544 1.384 20 0 EDADMP C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174239788 441906716 /nfs/dbraw/zinc/90/67/16/441906716.db2.gz JCHPIAXYOVSIMW-HNNXBMFYSA-N 2 1 347.463 1.380 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000174181147 441899135 /nfs/dbraw/zinc/89/91/35/441899135.db2.gz MVCBRYZNIHJRCZ-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000174181147 441899139 /nfs/dbraw/zinc/89/91/39/441899139.db2.gz MVCBRYZNIHJRCZ-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000174181147 441899141 /nfs/dbraw/zinc/89/91/41/441899141.db2.gz MVCBRYZNIHJRCZ-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CC[C@H](CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000174181147 441899142 /nfs/dbraw/zinc/89/91/42/441899142.db2.gz MVCBRYZNIHJRCZ-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CC[C@H](CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000174181147 441899144 /nfs/dbraw/zinc/89/91/44/441899144.db2.gz MVCBRYZNIHJRCZ-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000151148182 442014472 /nfs/dbraw/zinc/01/44/72/442014472.db2.gz QUCJVWCOMCZQNO-SQNIBIBYSA-N 2 1 326.481 1.493 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175512027 442078176 /nfs/dbraw/zinc/07/81/76/442078176.db2.gz PXYJUMULYSNOPQ-UHFFFAOYSA-N 2 1 338.496 1.415 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[NH+](C4CCCC4)CC3)cn2)CC1 ZINC000126974525 442158862 /nfs/dbraw/zinc/15/88/62/442158862.db2.gz WXYBEGZBGFFPAT-UHFFFAOYSA-N 2 1 344.507 1.289 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1)Cc1ccccc1 ZINC000167699630 442222066 /nfs/dbraw/zinc/22/20/66/442222066.db2.gz NCNKAKWLWBHWKX-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000152552244 442224463 /nfs/dbraw/zinc/22/44/63/442224463.db2.gz VHPIBVNDZAGINP-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000128364122 442262027 /nfs/dbraw/zinc/26/20/27/442262027.db2.gz IKQDYXWZQLEZJP-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000177050655 442290452 /nfs/dbraw/zinc/29/04/52/442290452.db2.gz XBJGLLYLZRDHIZ-UHFFFAOYSA-N 2 1 348.422 1.857 20 0 EDADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154277687 442329854 /nfs/dbraw/zinc/32/98/54/442329854.db2.gz IWCPLWGDLCJBSP-NEPJUHHUSA-N 2 1 347.381 1.935 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000154488133 442342454 /nfs/dbraw/zinc/34/24/54/442342454.db2.gz WLCVEUBBVSGHQP-UHFFFAOYSA-N 2 1 332.483 1.723 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC([NH+](C)CCCO)CC1)C(C)C ZINC000154515352 442343590 /nfs/dbraw/zinc/34/35/90/442343590.db2.gz NHCLDFSSBZACSQ-UHFFFAOYSA-N 2 1 328.501 1.205 20 0 EDADMP CC[NH+](CCNC(=O)N1CCC([N@H+](C)CCCO)CC1)C(C)C ZINC000154515352 442343592 /nfs/dbraw/zinc/34/35/92/442343592.db2.gz NHCLDFSSBZACSQ-UHFFFAOYSA-N 2 1 328.501 1.205 20 0 EDADMP CC[NH+](CCNC(=O)N1CCC([N@@H+](C)CCCO)CC1)C(C)C ZINC000154515352 442343593 /nfs/dbraw/zinc/34/35/93/442343593.db2.gz NHCLDFSSBZACSQ-UHFFFAOYSA-N 2 1 328.501 1.205 20 0 EDADMP C[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CCSCC1 ZINC000131180355 442366115 /nfs/dbraw/zinc/36/61/15/442366115.db2.gz HUSBXOLKRFSEDD-BZUAXINKSA-N 2 1 327.538 1.908 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCCO1 ZINC000133428304 442417421 /nfs/dbraw/zinc/41/74/21/442417421.db2.gz JZSAGDYSKNMEJP-WMZOPIPTSA-N 2 1 340.512 1.613 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000178336085 442425307 /nfs/dbraw/zinc/42/53/07/442425307.db2.gz CGQVSWUITYBVJO-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCNC(=O)C(C)(C)C ZINC000133566850 442424120 /nfs/dbraw/zinc/42/41/20/442424120.db2.gz IPHSJSNWSLYMDC-PMPSAXMXSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000133628542 442427077 /nfs/dbraw/zinc/42/70/77/442427077.db2.gz YXTUEGHYLOQVKJ-SQNIBIBYSA-N 3 1 346.523 1.307 20 0 EDADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000133628542 442427079 /nfs/dbraw/zinc/42/70/79/442427079.db2.gz YXTUEGHYLOQVKJ-SQNIBIBYSA-N 3 1 346.523 1.307 20 0 EDADMP COC(=O)C[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@@H]1CC(=O)OC ZINC000179428722 442456600 /nfs/dbraw/zinc/45/66/00/442456600.db2.gz GGXDSVIJLNRCRF-HUUCEWRRSA-N 2 1 326.437 1.432 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000178873781 442510187 /nfs/dbraw/zinc/51/01/87/442510187.db2.gz OKHXZTHDVSSSGH-LJQANCHMSA-N 2 1 344.503 1.582 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000178873115 442510305 /nfs/dbraw/zinc/51/03/05/442510305.db2.gz YIDHGDCJAMVIRN-SFHVURJKSA-N 2 1 330.476 1.192 20 0 EDADMP CC(C)[NH+](CCNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1)C(C)C ZINC000186103694 442463573 /nfs/dbraw/zinc/46/35/73/442463573.db2.gz WCDIBWZIHXASBR-QGZVFWFLSA-N 2 1 341.544 1.430 20 0 EDADMP COCCN(CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000179562522 442475803 /nfs/dbraw/zinc/47/58/03/442475803.db2.gz JUJQICRCPRVZNL-CABCVRRESA-N 2 1 329.485 1.942 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000178889896 442515924 /nfs/dbraw/zinc/51/59/24/442515924.db2.gz OGYYOQHOFKXRQC-KRWDZBQOSA-N 2 1 330.476 1.267 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000172717878 442526053 /nfs/dbraw/zinc/52/60/53/442526053.db2.gz JMEXCMDYTXHRPA-MRXNPFEDSA-N 2 1 341.402 1.186 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000172717878 442526057 /nfs/dbraw/zinc/52/60/57/442526057.db2.gz JMEXCMDYTXHRPA-MRXNPFEDSA-N 2 1 341.402 1.186 20 0 EDADMP CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)N1CC[NH+](C)CC1 ZINC000157412520 442581392 /nfs/dbraw/zinc/58/13/92/442581392.db2.gz CCDIUBPFHRQTHS-KRWDZBQOSA-N 2 1 341.544 1.240 20 0 EDADMP C[N@@H+](CCNC(=O)NCCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000157422633 442582281 /nfs/dbraw/zinc/58/22/81/442582281.db2.gz ODNGFURCGAALOW-UHFFFAOYSA-N 2 1 340.512 1.663 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000179190080 442593148 /nfs/dbraw/zinc/59/31/48/442593148.db2.gz MOTKIUVUORIFRJ-MSOLQXFVSA-N 2 1 348.491 1.699 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179190080 442593154 /nfs/dbraw/zinc/59/31/54/442593154.db2.gz MOTKIUVUORIFRJ-MSOLQXFVSA-N 2 1 348.491 1.699 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179190080 442593159 /nfs/dbraw/zinc/59/31/59/442593159.db2.gz MOTKIUVUORIFRJ-MSOLQXFVSA-N 2 1 348.491 1.699 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000192110862 442594881 /nfs/dbraw/zinc/59/48/81/442594881.db2.gz KWCFJYNNTVOXJN-DLBZAZTESA-N 2 1 332.492 1.246 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@](C)(O)C(C)C)CC2)CC1 ZINC000187011017 442645452 /nfs/dbraw/zinc/64/54/52/442645452.db2.gz LFMAPYRWFYOEBH-IBGZPJMESA-N 2 1 339.524 1.660 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000173186131 442619848 /nfs/dbraw/zinc/61/98/48/442619848.db2.gz KYTZREUYFDISTO-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000173186131 442619854 /nfs/dbraw/zinc/61/98/54/442619854.db2.gz KYTZREUYFDISTO-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000173186131 442619859 /nfs/dbraw/zinc/61/98/59/442619859.db2.gz KYTZREUYFDISTO-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000173186131 442619863 /nfs/dbraw/zinc/61/98/63/442619863.db2.gz KYTZREUYFDISTO-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000188403769 442746735 /nfs/dbraw/zinc/74/67/35/442746735.db2.gz XMQDYZQRPGGTAC-INIZCTEOSA-N 2 1 328.501 1.518 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246513966 442787573 /nfs/dbraw/zinc/78/75/73/442787573.db2.gz UVZLCPBEAXMYPY-BBWFWOEESA-N 2 1 342.528 1.572 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000193819052 442792809 /nfs/dbraw/zinc/79/28/09/442792809.db2.gz LBNKPZBOJUKFHV-YESZJQIVSA-N 2 1 340.512 1.326 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000193918390 442812554 /nfs/dbraw/zinc/81/25/54/442812554.db2.gz JUUNNLNCCVGUNL-AWEZNQCLSA-N 2 1 344.459 1.561 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000193918390 442812555 /nfs/dbraw/zinc/81/25/55/442812555.db2.gz JUUNNLNCCVGUNL-AWEZNQCLSA-N 2 1 344.459 1.561 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H](c2ccccc2)C1 ZINC000188796591 442815178 /nfs/dbraw/zinc/81/51/78/442815178.db2.gz OJZHNRGWGCAQIB-KSZLIROESA-N 2 1 348.466 1.181 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H](c2ccccc2)C1 ZINC000188796591 442815182 /nfs/dbraw/zinc/81/51/82/442815182.db2.gz OJZHNRGWGCAQIB-KSZLIROESA-N 2 1 348.466 1.181 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H](c2ccccc2)C1 ZINC000188796591 442815188 /nfs/dbraw/zinc/81/51/88/442815188.db2.gz OJZHNRGWGCAQIB-KSZLIROESA-N 2 1 348.466 1.181 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1C(C)C ZINC000247399627 442852207 /nfs/dbraw/zinc/85/22/07/442852207.db2.gz REKNQBPAEPPSJF-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000247399627 442852211 /nfs/dbraw/zinc/85/22/11/442852211.db2.gz REKNQBPAEPPSJF-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000247399627 442852212 /nfs/dbraw/zinc/85/22/12/442852212.db2.gz REKNQBPAEPPSJF-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1nccn1C ZINC000183290370 442918096 /nfs/dbraw/zinc/91/80/96/442918096.db2.gz FJUPNXKTRJSINS-CQSZACIVSA-N 2 1 329.448 1.562 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000194950859 442970872 /nfs/dbraw/zinc/97/08/72/442970872.db2.gz MHAYHOLSNPQMOZ-IYBDPMFKSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000194950859 442970876 /nfs/dbraw/zinc/97/08/76/442970876.db2.gz MHAYHOLSNPQMOZ-IYBDPMFKSA-N 2 1 340.512 1.469 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000195130128 442987438 /nfs/dbraw/zinc/98/74/38/442987438.db2.gz DOYCMSHHQDKMPM-OAHLLOKOSA-N 2 1 340.537 1.741 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CCNC2=O)cc1 ZINC000183681849 442952936 /nfs/dbraw/zinc/95/29/36/442952936.db2.gz OSESEFIWUHUACW-GFCCVEGCSA-N 2 1 327.388 1.383 20 0 EDADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000251547295 443015383 /nfs/dbraw/zinc/01/53/83/443015383.db2.gz GZPJYAYSPAVXMV-IKGGRYGDSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000266137645 443031754 /nfs/dbraw/zinc/03/17/54/443031754.db2.gz PVXQYEOZSNLDMB-IAGOWNOFSA-N 2 1 332.492 1.259 20 0 EDADMP COC(=O)COC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000296238020 318678348 /nfs/dbraw/zinc/67/83/48/318678348.db2.gz CNQNLXZKEBEOKJ-INIZCTEOSA-N 2 1 334.460 1.861 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000237192407 443163315 /nfs/dbraw/zinc/16/33/15/443163315.db2.gz AYAWRHRMCBNURZ-UHFFFAOYSA-N 2 1 339.443 1.805 20 0 EDADMP CC(C)n1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000261758695 443168592 /nfs/dbraw/zinc/16/85/92/443168592.db2.gz VNYRNJUGSYDJHN-WBVHZDCISA-N 2 1 333.480 1.544 20 0 EDADMP CC(C)n1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000261758695 443168597 /nfs/dbraw/zinc/16/85/97/443168597.db2.gz VNYRNJUGSYDJHN-WBVHZDCISA-N 2 1 333.480 1.544 20 0 EDADMP c1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261913259 443173636 /nfs/dbraw/zinc/17/36/36/443173636.db2.gz JHCPDYDPWNMIIL-IPMKNSEASA-N 2 1 345.487 1.770 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000237180772 443162449 /nfs/dbraw/zinc/16/24/49/443162449.db2.gz GTUKNURFGWODBV-VVLHAWIVSA-N 2 1 325.497 1.578 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000237180772 443162452 /nfs/dbraw/zinc/16/24/52/443162452.db2.gz GTUKNURFGWODBV-VVLHAWIVSA-N 2 1 325.497 1.578 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000245390087 443221545 /nfs/dbraw/zinc/22/15/45/443221545.db2.gz KRQJCIGPNHGGLZ-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000269226760 443240508 /nfs/dbraw/zinc/24/05/08/443240508.db2.gz AKFCCYKINJSXRR-MAUKXSAKSA-N 2 1 330.432 1.074 20 0 EDADMP C[C@@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000269226760 443240515 /nfs/dbraw/zinc/24/05/15/443240515.db2.gz AKFCCYKINJSXRR-MAUKXSAKSA-N 2 1 330.432 1.074 20 0 EDADMP C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[N@H+]1CCC[C@H](C)C1 ZINC000262671063 443207182 /nfs/dbraw/zinc/20/71/82/443207182.db2.gz NZDIWIFMVNSIHV-UONOGXRCSA-N 2 1 334.468 1.053 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000185527720 443214429 /nfs/dbraw/zinc/21/44/29/443214429.db2.gz KXMSCVJOGLABJI-MRXNPFEDSA-N 2 1 328.501 1.518 20 0 EDADMP C[N@H+]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C2(CCCCC2)C1 ZINC000262885585 443216181 /nfs/dbraw/zinc/21/61/81/443216181.db2.gz WJJVEXXCUFGVRU-INIZCTEOSA-N 2 1 345.491 1.898 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2)C1 ZINC000269247316 443249769 /nfs/dbraw/zinc/24/97/69/443249769.db2.gz FCADCBABZULJSI-UKPHBRMFSA-N 2 1 333.432 1.069 20 0 EDADMP C[C@@H]1[C@@H](CO)CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000412091931 319223467 /nfs/dbraw/zinc/22/34/67/319223467.db2.gz QXOHMGOFXFIVME-NXHRZFHOSA-N 2 1 333.476 1.498 20 0 EDADMP C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414664899 319338247 /nfs/dbraw/zinc/33/82/47/319338247.db2.gz DABRJOORPJLHBU-AWEZNQCLSA-N 2 1 341.402 1.917 20 0 EDADMP C[N@@H+](CCOc1ccc(Cl)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414685212 319342386 /nfs/dbraw/zinc/34/23/86/319342386.db2.gz YIRPNJVMYXXGPQ-AWEZNQCLSA-N 2 1 339.867 1.848 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@H]1C ZINC000416000401 319388688 /nfs/dbraw/zinc/38/86/88/319388688.db2.gz XZMJYLSQBLQQBH-VXGBXAGGSA-N 2 1 340.390 1.018 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@H]1C ZINC000416000401 319388691 /nfs/dbraw/zinc/38/86/91/319388691.db2.gz XZMJYLSQBLQQBH-VXGBXAGGSA-N 2 1 340.390 1.018 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1cccc(F)c1 ZINC000266956323 443302304 /nfs/dbraw/zinc/30/23/04/443302304.db2.gz VPUFPYRZYAHWHB-UHFFFAOYSA-N 2 1 336.455 1.724 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000416825817 319464124 /nfs/dbraw/zinc/46/41/24/319464124.db2.gz BCFBOZYCBRBEJS-HOCLYGCPSA-N 2 1 334.464 1.597 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416933897 319478360 /nfs/dbraw/zinc/47/83/60/319478360.db2.gz CAXVDTAMMNJJJP-XHSDSOJGSA-N 2 1 326.485 1.160 20 0 EDADMP CCS(=O)(=O)NCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272509937 443345283 /nfs/dbraw/zinc/34/52/83/443345283.db2.gz OSIUIIOPBPVHIA-RDJZCZTQSA-N 2 1 339.505 1.426 20 0 EDADMP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000264653116 443362875 /nfs/dbraw/zinc/36/28/75/443362875.db2.gz GXUUWUNEDCDABR-KRWDZBQOSA-N 2 1 344.503 1.899 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CC(C)(C)O ZINC000267169086 443365129 /nfs/dbraw/zinc/36/51/29/443365129.db2.gz TYUHUTKGYHQCTQ-MRXNPFEDSA-N 2 1 347.503 1.858 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264736589 443398396 /nfs/dbraw/zinc/39/83/96/443398396.db2.gz FVNVLXDHIBLMCP-AEFFLSMTSA-N 2 1 332.492 1.432 20 0 EDADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000272794126 443447041 /nfs/dbraw/zinc/44/70/41/443447041.db2.gz CNVDEWAPTXJAAF-DZGCQCFKSA-N 2 1 325.478 1.859 20 0 EDADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000272794126 443447046 /nfs/dbraw/zinc/44/70/46/443447046.db2.gz CNVDEWAPTXJAAF-DZGCQCFKSA-N 2 1 325.478 1.859 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000423842932 319821568 /nfs/dbraw/zinc/82/15/68/319821568.db2.gz LZSOPIOXRQUPTC-IBGZPJMESA-N 2 1 326.444 1.971 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)n1C ZINC000265167612 443556918 /nfs/dbraw/zinc/55/69/18/443556918.db2.gz IATRFSFHDPCHSI-UHFFFAOYSA-N 2 1 330.436 1.869 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)CC1 ZINC000283237001 443569743 /nfs/dbraw/zinc/56/97/43/443569743.db2.gz UNVNURPYAHLDAJ-OAHLLOKOSA-N 2 1 349.500 1.949 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)CC1 ZINC000283237001 443569748 /nfs/dbraw/zinc/56/97/48/443569748.db2.gz UNVNURPYAHLDAJ-OAHLLOKOSA-N 2 1 349.500 1.949 20 0 EDADMP COc1ccccc1[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000283240959 443572086 /nfs/dbraw/zinc/57/20/86/443572086.db2.gz UTVQTUJVXRYYGH-INIZCTEOSA-N 2 1 331.460 1.649 20 0 EDADMP COc1ccccc1[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000283240959 443572089 /nfs/dbraw/zinc/57/20/89/443572089.db2.gz UTVQTUJVXRYYGH-INIZCTEOSA-N 2 1 331.460 1.649 20 0 EDADMP Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)CCn2cc[nH+]c2C)no1 ZINC000279421029 443584791 /nfs/dbraw/zinc/58/47/91/443584791.db2.gz WXBOWXBXMGSRKQ-GJZGRUSLSA-N 2 1 336.415 1.427 20 0 EDADMP Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)CCn2cc[nH+]c2C)no1 ZINC000279421029 443584794 /nfs/dbraw/zinc/58/47/94/443584794.db2.gz WXBOWXBXMGSRKQ-GJZGRUSLSA-N 2 1 336.415 1.427 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000265414918 443634810 /nfs/dbraw/zinc/63/48/10/443634810.db2.gz ICBFEEPJDADKJZ-ZWKOTPCHSA-N 2 1 346.475 1.233 20 0 EDADMP COCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCc1ccccc1 ZINC000283381525 443618464 /nfs/dbraw/zinc/61/84/64/443618464.db2.gz CWQTWJZXZTVPFL-UHFFFAOYSA-N 2 1 333.476 1.342 20 0 EDADMP COCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCc1ccccc1 ZINC000283381525 443618466 /nfs/dbraw/zinc/61/84/66/443618466.db2.gz CWQTWJZXZTVPFL-UHFFFAOYSA-N 2 1 333.476 1.342 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1)[NH+]1CCCCC1 ZINC000444358751 320127916 /nfs/dbraw/zinc/12/79/16/320127916.db2.gz ARNLTMAQJUMUIG-SJLPKXTDSA-N 2 1 339.524 1.801 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CCSC1 ZINC000447959911 320150503 /nfs/dbraw/zinc/15/05/03/320150503.db2.gz URKSKFIHSNTGNR-WMLDXEAASA-N 2 1 342.553 1.843 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)cc2F)CC1 ZINC000449729374 320202780 /nfs/dbraw/zinc/20/27/80/320202780.db2.gz ZGOUHXMAQWFEIA-HOCLYGCPSA-N 2 1 348.466 1.825 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CC[NH2+]C3(C)C)CC2)cs1 ZINC000449752058 320205219 /nfs/dbraw/zinc/20/52/19/320205219.db2.gz MGCQBNFLMXMVBP-HNNXBMFYSA-N 2 1 336.505 1.920 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453647846 320266965 /nfs/dbraw/zinc/26/69/65/320266965.db2.gz SASICYPBNULNDE-QGZVFWFLSA-N 2 1 346.475 1.630 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000458855545 320343255 /nfs/dbraw/zinc/34/32/55/320343255.db2.gz QKYADWSFGQAKRE-UHFFFAOYSA-N 2 1 340.512 1.616 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2C[C@H]3OCCN(C)[C@H]3C2)C1 ZINC000460372475 320352144 /nfs/dbraw/zinc/35/21/44/320352144.db2.gz BZINQCZKCUHXGG-YESZJQIVSA-N 2 1 338.496 1.079 20 0 EDADMP Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000475045038 320353596 /nfs/dbraw/zinc/35/35/96/320353596.db2.gz IKUQQVJYQDGUMI-FJIDUMEYSA-N 2 1 335.471 1.549 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000479338105 320355283 /nfs/dbraw/zinc/35/52/83/320355283.db2.gz DKSNVWMUYOASJK-BRWVUGGUSA-N 2 1 340.512 1.062 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000283645986 443680906 /nfs/dbraw/zinc/68/09/06/443680906.db2.gz XMPCFCVPYCFPPY-INIZCTEOSA-N 2 1 348.491 1.081 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000276688990 443792116 /nfs/dbraw/zinc/79/21/16/443792116.db2.gz UYLOQALSVBLKAL-DZJNRPSUSA-N 2 1 331.460 1.221 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000298591639 443809666 /nfs/dbraw/zinc/80/96/66/443809666.db2.gz ULWYENNRDULXBC-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298591639 443809670 /nfs/dbraw/zinc/80/96/70/443809670.db2.gz ULWYENNRDULXBC-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000298591639 443809674 /nfs/dbraw/zinc/80/96/74/443809674.db2.gz ULWYENNRDULXBC-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP COc1cc(C[NH+]2CCC[C@@H]2CO)cc(C[N@H+]2CCC[C@H]2CO)c1 ZINC000292658431 443809714 /nfs/dbraw/zinc/80/97/14/443809714.db2.gz PQRDHFNPULIVKL-HDICACEKSA-N 2 1 334.460 1.609 20 0 EDADMP COc1cc(C[NH+]2CCC[C@H]2CO)cc(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000292658431 443809718 /nfs/dbraw/zinc/80/97/18/443809718.db2.gz PQRDHFNPULIVKL-HDICACEKSA-N 2 1 334.460 1.609 20 0 EDADMP COc1cc(C[NH+]2CCC[C@H]2CO)cc(C[N@H+]2CCC[C@@H]2CO)c1 ZINC000292658431 443809721 /nfs/dbraw/zinc/80/97/21/443809721.db2.gz PQRDHFNPULIVKL-HDICACEKSA-N 2 1 334.460 1.609 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292940787 443883674 /nfs/dbraw/zinc/88/36/74/443883674.db2.gz JVUPYIJDVXDXMI-IFXJQAMLSA-N 2 1 344.459 1.530 20 0 EDADMP CCOC[C@H](O)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285404656 443972010 /nfs/dbraw/zinc/97/20/10/443972010.db2.gz BCCQCDSZBHNARG-VQTJNVASSA-N 2 1 347.503 1.276 20 0 EDADMP CCOC[C@H](O)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285404656 443972014 /nfs/dbraw/zinc/97/20/14/443972014.db2.gz BCCQCDSZBHNARG-VQTJNVASSA-N 2 1 347.503 1.276 20 0 EDADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC1(O)CCOCC1 ZINC000285572787 444032972 /nfs/dbraw/zinc/03/29/72/444032972.db2.gz WJWZWYVXPLYGHD-UHFFFAOYSA-N 2 1 347.503 1.278 20 0 EDADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000289183272 444072463 /nfs/dbraw/zinc/07/24/63/444072463.db2.gz IMGVUNUEZRCDDL-HNNXBMFYSA-N 2 1 335.423 1.575 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000561186265 321035653 /nfs/dbraw/zinc/03/56/53/321035653.db2.gz QGDUHFSKGAJYDM-KBAYOESNSA-N 2 1 346.475 1.266 20 0 EDADMP O=C(NCC1=CC[NH2+]CC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000562812169 321077747 /nfs/dbraw/zinc/07/77/47/321077747.db2.gz LPECCBWLOAECMR-GOSISDBHSA-N 2 1 328.460 1.727 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000563091648 321094586 /nfs/dbraw/zinc/09/45/86/321094586.db2.gz CVYPDZCJUXSPMD-AALSBFMBSA-N 2 1 326.485 1.395 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563091651 321094589 /nfs/dbraw/zinc/09/45/89/321094589.db2.gz CVYPDZCJUXSPMD-RFBLXINOSA-N 2 1 326.485 1.395 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563091651 321094590 /nfs/dbraw/zinc/09/45/90/321094590.db2.gz CVYPDZCJUXSPMD-RFBLXINOSA-N 2 1 326.485 1.395 20 0 EDADMP CCc1nnc(CNC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)[nH]1 ZINC000563395083 321108369 /nfs/dbraw/zinc/10/83/69/321108369.db2.gz DYEBZUXLSVQXMI-UHFFFAOYSA-N 2 1 348.495 1.180 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000563714828 321112953 /nfs/dbraw/zinc/11/29/53/321112953.db2.gz MTPGWYAFESHGOH-CRAIPNDOSA-N 2 1 331.460 1.211 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@@]1(C)C[NH3+] ZINC000564188871 321123525 /nfs/dbraw/zinc/12/35/25/321123525.db2.gz QZCCACDRFUAYKW-YFHUEUNASA-N 2 1 338.496 1.256 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000564889964 321155121 /nfs/dbraw/zinc/15/51/21/321155121.db2.gz LDFGUIFKQXWMJN-HUUCEWRRSA-N 2 1 336.505 1.152 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@@H](C)[C@H]3C)CC2)CC1 ZINC000565182540 321174046 /nfs/dbraw/zinc/17/40/46/321174046.db2.gz NHGKHNRBURNPMJ-CVEARBPZSA-N 2 1 337.508 1.819 20 0 EDADMP [NH3+][C@@H]1CCN(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000568609918 321299222 /nfs/dbraw/zinc/29/92/22/321299222.db2.gz WYOQKKXTRAGXJS-CVEARBPZSA-N 2 1 334.489 1.347 20 0 EDADMP [NH3+][C@@H]1CCN(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000568609918 321299223 /nfs/dbraw/zinc/29/92/23/321299223.db2.gz WYOQKKXTRAGXJS-CVEARBPZSA-N 2 1 334.489 1.347 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000568998086 321314109 /nfs/dbraw/zinc/31/41/09/321314109.db2.gz VRDHTMLNGBDQCD-QUCCMNQESA-N 2 1 342.487 1.896 20 0 EDADMP C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000569085388 321317806 /nfs/dbraw/zinc/31/78/06/321317806.db2.gz DDLKRHPDQFGZER-VQHPVUNQSA-N 2 1 338.496 1.256 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc2c(c1)C[NH2+]C2 ZINC000569967196 321332535 /nfs/dbraw/zinc/33/25/35/321332535.db2.gz OBCMVICLMFNOPY-MSOLQXFVSA-N 2 1 329.444 1.663 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1CCCCC[NH2+]1)[NH+]1CCOCC1 ZINC000570572599 321348965 /nfs/dbraw/zinc/34/89/65/321348965.db2.gz BTQOSXNXIDISHA-SJORKVTESA-N 2 1 325.497 1.772 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000570925770 321363496 /nfs/dbraw/zinc/36/34/96/321363496.db2.gz KOTWGQADAVCWMG-XUWXXGDYSA-N 2 1 328.460 1.879 20 0 EDADMP COc1cc(OC)cc(N2CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000571198489 321375889 /nfs/dbraw/zinc/37/58/89/321375889.db2.gz MMGQZBDXNYAONZ-PBHICJAKSA-N 2 1 349.475 1.327 20 0 EDADMP COc1cc(OC)cc(N2CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000571198489 321375890 /nfs/dbraw/zinc/37/58/90/321375890.db2.gz MMGQZBDXNYAONZ-PBHICJAKSA-N 2 1 349.475 1.327 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC=C(c3ccnn3C)CC2)CC1 ZINC000285798959 444111001 /nfs/dbraw/zinc/11/10/01/444111001.db2.gz ZZVUWHKAZALNBV-UHFFFAOYSA-N 2 1 331.508 1.925 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cn2cc[nH+]c12 ZINC000294698917 444137960 /nfs/dbraw/zinc/13/79/60/444137960.db2.gz IYBJPNWPAWVQEB-UKRRQHHQSA-N 2 1 343.431 1.380 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cn2cc[nH+]c12 ZINC000294698917 444137965 /nfs/dbraw/zinc/13/79/65/444137965.db2.gz IYBJPNWPAWVQEB-UKRRQHHQSA-N 2 1 343.431 1.380 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000289885316 444215092 /nfs/dbraw/zinc/21/50/92/444215092.db2.gz STXSXSMQTWNUEP-MOPGFXCFSA-N 2 1 342.487 1.116 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000289924930 444220191 /nfs/dbraw/zinc/22/01/91/444220191.db2.gz NYLMQMCJMUCFLC-MRXNPFEDSA-N 2 1 348.447 1.048 20 0 EDADMP [NH3+]C[C@@H](NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C1CCCCC1 ZINC000576212288 321546910 /nfs/dbraw/zinc/54/69/10/321546910.db2.gz OZFKGSAPVKIDEQ-IAGOWNOFSA-N 2 1 331.464 1.645 20 0 EDADMP C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)[NH+]1CCCCCC1 ZINC000305144218 444261108 /nfs/dbraw/zinc/26/11/08/444261108.db2.gz XOOYFYLBRAUFLS-IAGOWNOFSA-N 2 1 325.497 1.604 20 0 EDADMP C[N@@H+](CCN1CCNC1=O)C1CCN(CCc2ccccn2)CC1 ZINC000290272537 444261237 /nfs/dbraw/zinc/26/12/37/444261237.db2.gz LNRCPMDWESGWCA-UHFFFAOYSA-N 2 1 331.464 1.046 20 0 EDADMP CN(CCN1CCNC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000290272537 444261238 /nfs/dbraw/zinc/26/12/38/444261238.db2.gz LNRCPMDWESGWCA-UHFFFAOYSA-N 2 1 331.464 1.046 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCC[C@H](C)C2)CC1 ZINC000303241016 444235487 /nfs/dbraw/zinc/23/54/87/444235487.db2.gz BLFKXYWAZPWIEM-JKSUJKDBSA-N 2 1 325.497 1.270 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cn(Cc4cccnc4)nn3)C2)CC1 ZINC000290628900 444303217 /nfs/dbraw/zinc/30/32/17/444303217.db2.gz XUSZFFLIAKVSRY-GOSISDBHSA-N 2 1 340.475 1.885 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cn(Cc4cccnc4)nn3)C2)CC1 ZINC000290628900 444303220 /nfs/dbraw/zinc/30/32/20/444303220.db2.gz XUSZFFLIAKVSRY-GOSISDBHSA-N 2 1 340.475 1.885 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cn(Cc4cccnc4)nn3)C2)CC1 ZINC000290628904 444303356 /nfs/dbraw/zinc/30/33/56/444303356.db2.gz XUSZFFLIAKVSRY-SFHVURJKSA-N 2 1 340.475 1.885 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cn(Cc4cccnc4)nn3)C2)CC1 ZINC000290628904 444303359 /nfs/dbraw/zinc/30/33/59/444303359.db2.gz XUSZFFLIAKVSRY-SFHVURJKSA-N 2 1 340.475 1.885 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000297658911 444314778 /nfs/dbraw/zinc/31/47/78/444314778.db2.gz UXLWFWHJEWRDAD-ZWKOTPCHSA-N 2 1 342.443 1.191 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000297658911 444314779 /nfs/dbraw/zinc/31/47/79/444314779.db2.gz UXLWFWHJEWRDAD-ZWKOTPCHSA-N 2 1 342.443 1.191 20 0 EDADMP C[C@@H](NCc1ccccc1OCCN1CCOCC1)c1cn[nH]c1 ZINC000297689457 444319042 /nfs/dbraw/zinc/31/90/42/444319042.db2.gz LWASARBTWCPQPB-OAHLLOKOSA-N 2 1 330.432 1.972 20 0 EDADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H]1CCCC[C@@H]1O ZINC000305811201 444282078 /nfs/dbraw/zinc/28/20/78/444282078.db2.gz ICCQSOBRCSUSDZ-SJORKVTESA-N 2 1 333.480 1.211 20 0 EDADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H]1CCCC[C@@H]1O ZINC000305811201 444282081 /nfs/dbraw/zinc/28/20/81/444282081.db2.gz ICCQSOBRCSUSDZ-SJORKVTESA-N 2 1 333.480 1.211 20 0 EDADMP COC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000310851129 444292951 /nfs/dbraw/zinc/29/29/51/444292951.db2.gz OLABSKSGTLRVBE-AZUAARDMSA-N 2 1 345.487 1.641 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000327861761 444383819 /nfs/dbraw/zinc/38/38/19/444383819.db2.gz OSMDWUADFXAFIP-KSSFIOAISA-N 2 1 349.450 1.915 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000579348980 321923591 /nfs/dbraw/zinc/92/35/91/321923591.db2.gz UBUDKJCAADTMGR-OAHLLOKOSA-N 2 1 340.512 1.117 20 0 EDADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000580307620 322034023 /nfs/dbraw/zinc/03/40/23/322034023.db2.gz YKXCDTSPUOMFSR-CABCVRRESA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)[C@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)[NH3+] ZINC000580307788 322034236 /nfs/dbraw/zinc/03/42/36/322034236.db2.gz BJRJLHOOEKXZRB-AEFFLSMTSA-N 2 1 347.507 1.329 20 0 EDADMP Cn1cncc1CCC[N@@H+](C)CCn1cc(Br)cn1 ZINC000581140283 322141391 /nfs/dbraw/zinc/14/13/91/322141391.db2.gz LFHBESPMXQJMCG-UHFFFAOYSA-N 2 1 326.242 1.944 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+](C)CCn1cc(Br)cn1 ZINC000581140283 322141394 /nfs/dbraw/zinc/14/13/94/322141394.db2.gz LFHBESPMXQJMCG-UHFFFAOYSA-N 2 1 326.242 1.944 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCn1cc(Br)cn1 ZINC000581140283 322141396 /nfs/dbraw/zinc/14/13/96/322141396.db2.gz LFHBESPMXQJMCG-UHFFFAOYSA-N 2 1 326.242 1.944 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Cn1cccn1 ZINC000581246087 322154318 /nfs/dbraw/zinc/15/43/18/322154318.db2.gz HVNQRNPYOSBKBF-OALUTQOASA-N 2 1 328.460 1.398 20 0 EDADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc(OC)c1O ZINC000581429534 322176640 /nfs/dbraw/zinc/17/66/40/322176640.db2.gz PKUNSAWNFLXCGL-CQSZACIVSA-N 2 1 336.432 1.597 20 0 EDADMP COCc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342126069 444522416 /nfs/dbraw/zinc/52/24/16/444522416.db2.gz LNLKTBQKDGOGAP-OKZBNKHCSA-N 2 1 331.460 1.508 20 0 EDADMP COCc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342126069 444522422 /nfs/dbraw/zinc/52/24/22/444522422.db2.gz LNLKTBQKDGOGAP-OKZBNKHCSA-N 2 1 331.460 1.508 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](c3ccccc3F)C2)C1=O ZINC000340851471 444543314 /nfs/dbraw/zinc/54/33/14/444543314.db2.gz DBUPFCBUGPWOOQ-CJNGLKHVSA-N 2 1 333.407 1.304 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)C1=O ZINC000340851471 444543318 /nfs/dbraw/zinc/54/33/18/444543318.db2.gz DBUPFCBUGPWOOQ-CJNGLKHVSA-N 2 1 333.407 1.304 20 0 EDADMP CCc1nc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000342379745 444666623 /nfs/dbraw/zinc/66/66/23/444666623.db2.gz OHMQPEKAIYAOOS-IBGZPJMESA-N 2 1 326.444 2.396 20 0 EDADMP CCc1nc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000342379745 444666629 /nfs/dbraw/zinc/66/66/29/444666629.db2.gz OHMQPEKAIYAOOS-IBGZPJMESA-N 2 1 326.444 2.396 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2C(C)C)C1 ZINC000343937812 444681475 /nfs/dbraw/zinc/68/14/75/444681475.db2.gz QGMGUMMLFPFHJM-MSOLQXFVSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@H]2C(C)C)C1 ZINC000343937812 444681480 /nfs/dbraw/zinc/68/14/80/444681480.db2.gz QGMGUMMLFPFHJM-MSOLQXFVSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC[C@H]2C(C)C)C1 ZINC000343937812 444681488 /nfs/dbraw/zinc/68/14/88/444681488.db2.gz QGMGUMMLFPFHJM-MSOLQXFVSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCOCC1 ZINC000333919331 444718481 /nfs/dbraw/zinc/71/84/81/444718481.db2.gz OZOILYVYDRNRHW-TWMKSMIVSA-N 2 1 338.496 1.031 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333661633 444688861 /nfs/dbraw/zinc/68/88/61/444688861.db2.gz LPRFVTSUGVLJMV-FCCDEINASA-N 2 1 349.523 1.081 20 0 EDADMP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333661633 444688865 /nfs/dbraw/zinc/68/88/65/444688865.db2.gz LPRFVTSUGVLJMV-FCCDEINASA-N 2 1 349.523 1.081 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333661633 444688871 /nfs/dbraw/zinc/68/88/71/444688871.db2.gz LPRFVTSUGVLJMV-FCCDEINASA-N 2 1 349.523 1.081 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CC(=O)OC ZINC000343955104 444692308 /nfs/dbraw/zinc/69/23/08/444692308.db2.gz SUPNSPYICTVVPQ-LSDHHAIUSA-N 2 1 327.469 1.060 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H](C)[N@@H+]1C ZINC000334000398 444742787 /nfs/dbraw/zinc/74/27/87/444742787.db2.gz REZYDXHKZCOUGO-YALNPMBYSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NCC3([NH3+])CCC3)cc2)C[C@H](C)O1 ZINC000342602659 444769815 /nfs/dbraw/zinc/76/98/15/444769815.db2.gz YSALZECKTOKVFH-GJZGRUSLSA-N 2 1 331.460 1.907 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COC2CCOCC2)C1 ZINC000336870225 444814615 /nfs/dbraw/zinc/81/46/15/444814615.db2.gz ICZTZUPXLWJEEJ-DLBZAZTESA-N 2 1 326.481 1.207 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000336870225 444814618 /nfs/dbraw/zinc/81/46/18/444814618.db2.gz ICZTZUPXLWJEEJ-DLBZAZTESA-N 2 1 326.481 1.207 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000336870225 444814620 /nfs/dbraw/zinc/81/46/20/444814620.db2.gz ICZTZUPXLWJEEJ-DLBZAZTESA-N 2 1 326.481 1.207 20 0 EDADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000342695239 444819776 /nfs/dbraw/zinc/81/97/76/444819776.db2.gz PKEUNHFDTICUSS-OAHLLOKOSA-N 2 1 347.450 1.581 20 0 EDADMP COc1ccccc1CNC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000336876861 444822396 /nfs/dbraw/zinc/82/23/96/444822396.db2.gz KXWRNCORDQBQLA-UHFFFAOYSA-N 2 1 335.448 1.141 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CC[NH2+]C3)cc2F)CC1 ZINC000342728922 444837578 /nfs/dbraw/zinc/83/75/78/444837578.db2.gz LJGFKVTZGZSHBO-CQSZACIVSA-N 2 1 334.439 1.307 20 0 EDADMP C[C@@H]1C[C@H](C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000344235887 444855243 /nfs/dbraw/zinc/85/52/43/444855243.db2.gz MOYBKEGDBQVZGS-GPMSIDNRSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@@H]1C[C@H](C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000344235887 444855246 /nfs/dbraw/zinc/85/52/46/444855246.db2.gz MOYBKEGDBQVZGS-GPMSIDNRSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@@H]1C[C@H](C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000344235887 444855251 /nfs/dbraw/zinc/85/52/51/444855251.db2.gz MOYBKEGDBQVZGS-GPMSIDNRSA-N 2 1 345.487 1.600 20 0 EDADMP CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000341636251 444928197 /nfs/dbraw/zinc/92/81/97/444928197.db2.gz LBBVNCMOCJMZLB-GOEBONIOSA-N 2 1 340.512 1.022 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000342906356 444933866 /nfs/dbraw/zinc/93/38/66/444933866.db2.gz ZWQUVTSPKCPUGZ-KDOFPFPSSA-N 2 1 330.476 1.746 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CCC[N@@H+]1C ZINC000344461065 444990043 /nfs/dbraw/zinc/99/00/43/444990043.db2.gz XUFZGZDJOKZCDY-WBMJQRKESA-N 2 1 330.432 1.169 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CCC[N@H+]1C ZINC000344461065 444990047 /nfs/dbraw/zinc/99/00/47/444990047.db2.gz XUFZGZDJOKZCDY-WBMJQRKESA-N 2 1 330.432 1.169 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CCC[NH+]1C ZINC000344461065 444990050 /nfs/dbraw/zinc/99/00/50/444990050.db2.gz XUFZGZDJOKZCDY-WBMJQRKESA-N 2 1 330.432 1.169 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CCC[NH+]1C ZINC000344461065 444990055 /nfs/dbraw/zinc/99/00/55/444990055.db2.gz XUFZGZDJOKZCDY-WBMJQRKESA-N 2 1 330.432 1.169 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCC[C@@H]3OC(F)F)cn2)CC1 ZINC000337280068 445013306 /nfs/dbraw/zinc/01/33/06/445013306.db2.gz GZGNBJASCPHUNQ-KBPBESRZSA-N 2 1 341.406 1.478 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000342096350 445169756 /nfs/dbraw/zinc/16/97/56/445169756.db2.gz HGOUVQSMZCMWMW-SOUVJXGZSA-N 2 1 331.416 1.091 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000342096350 445169759 /nfs/dbraw/zinc/16/97/59/445169759.db2.gz HGOUVQSMZCMWMW-SOUVJXGZSA-N 2 1 331.416 1.091 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342109259 445175855 /nfs/dbraw/zinc/17/58/55/445175855.db2.gz RCBCPALQSITLJR-DIECFANBSA-N 2 1 331.460 1.932 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342109259 445175859 /nfs/dbraw/zinc/17/58/59/445175859.db2.gz RCBCPALQSITLJR-DIECFANBSA-N 2 1 331.460 1.932 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H](C)O1 ZINC000337583280 445150786 /nfs/dbraw/zinc/15/07/86/445150786.db2.gz PMOJYYORIOCTTA-VQHPVUNQSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1C[NH+](CC2(CN3C[C@H](C)[NH+](C)[C@@H](C)C3)COC2)C[C@@H](C)N1C ZINC000339621731 445154367 /nfs/dbraw/zinc/15/43/67/445154367.db2.gz JHUWUVROCHRFFQ-BALXVJCKSA-N 2 1 338.540 1.052 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC2=CC[NH+](C)CC2)C[C@H](C)O1 ZINC000343361893 445209957 /nfs/dbraw/zinc/20/99/57/445209957.db2.gz QFYIYXWNBUENDC-GASCZTMLSA-N 2 1 338.496 1.435 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC2=CC[NH+](C)CC2)C[C@H](C)O1 ZINC000343361893 445209958 /nfs/dbraw/zinc/20/99/58/445209958.db2.gz QFYIYXWNBUENDC-GASCZTMLSA-N 2 1 338.496 1.435 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC2=CC[N@H+](C)CC2)C[C@H](C)O1 ZINC000343361893 445209959 /nfs/dbraw/zinc/20/99/59/445209959.db2.gz QFYIYXWNBUENDC-GASCZTMLSA-N 2 1 338.496 1.435 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC2=CC[N@@H+](C)CC2)C[C@H](C)O1 ZINC000343361893 445209961 /nfs/dbraw/zinc/20/99/61/445209961.db2.gz QFYIYXWNBUENDC-GASCZTMLSA-N 2 1 338.496 1.435 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)NCCCNc2ccc(C)c[nH+]2)C[C@@H]1C ZINC000345745332 445198067 /nfs/dbraw/zinc/19/80/67/445198067.db2.gz UMIDACMUHUQOSC-HOTGVXAUSA-N 2 1 333.480 2.316 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCCNc2ccc(C)c[nH+]2)C[C@@H]1C ZINC000345745332 445198070 /nfs/dbraw/zinc/19/80/70/445198070.db2.gz UMIDACMUHUQOSC-HOTGVXAUSA-N 2 1 333.480 2.316 20 0 EDADMP C[C@@H]1CN(CC[N@@H+](C)C[C@H]2CCCN(C)[C@H]2c2ccnn2C)CCO1 ZINC000346938828 445228450 /nfs/dbraw/zinc/22/84/50/445228450.db2.gz UGTWYKIHDQMHCG-ZHALLVOQSA-N 2 1 349.523 1.456 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCOC[C@H]2CCCO2)CC1 ZINC000619180510 450423459 /nfs/dbraw/zinc/42/34/59/450423459.db2.gz XIOBADHUQUVBHF-OAHLLOKOSA-N 2 1 348.447 1.358 20 0 EDADMP CO[C@H](C)C[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000354465167 445249199 /nfs/dbraw/zinc/24/91/99/445249199.db2.gz UVWSFHHVRBZBPK-SJORKVTESA-N 2 1 343.512 1.205 20 0 EDADMP CO[C@H](C)C[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000354465167 445249201 /nfs/dbraw/zinc/24/92/01/445249201.db2.gz UVWSFHHVRBZBPK-SJORKVTESA-N 2 1 343.512 1.205 20 0 EDADMP CO[C@H](C)C[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000354465167 445249202 /nfs/dbraw/zinc/24/92/02/445249202.db2.gz UVWSFHHVRBZBPK-SJORKVTESA-N 2 1 343.512 1.205 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343602102 445259447 /nfs/dbraw/zinc/25/94/47/445259447.db2.gz QUCBAXOCNGWREG-MJGOQNOKSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343602102 445259448 /nfs/dbraw/zinc/25/94/48/445259448.db2.gz QUCBAXOCNGWREG-MJGOQNOKSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343602102 445259450 /nfs/dbraw/zinc/25/94/50/445259450.db2.gz QUCBAXOCNGWREG-MJGOQNOKSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343602102 445259453 /nfs/dbraw/zinc/25/94/53/445259453.db2.gz QUCBAXOCNGWREG-MJGOQNOKSA-N 2 1 342.487 1.109 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCSCC[C@H]2C)C1 ZINC000348187991 445310248 /nfs/dbraw/zinc/31/02/48/445310248.db2.gz QVPWXODBKAUGFQ-CVEARBPZSA-N 2 1 343.537 1.287 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCSCC[C@H]2C)C1 ZINC000348187991 445310250 /nfs/dbraw/zinc/31/02/50/445310250.db2.gz QVPWXODBKAUGFQ-CVEARBPZSA-N 2 1 343.537 1.287 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCSCC[C@H]2C)C1 ZINC000348187991 445310253 /nfs/dbraw/zinc/31/02/53/445310253.db2.gz QVPWXODBKAUGFQ-CVEARBPZSA-N 2 1 343.537 1.287 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1OC ZINC000351858496 445345141 /nfs/dbraw/zinc/34/51/41/445345141.db2.gz ZIGDRUKVSGOLSF-ZIAGYGMSSA-N 2 1 335.448 1.331 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1OC ZINC000351858496 445345143 /nfs/dbraw/zinc/34/51/43/445345143.db2.gz ZIGDRUKVSGOLSF-ZIAGYGMSSA-N 2 1 335.448 1.331 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351859148 445345404 /nfs/dbraw/zinc/34/54/04/445345404.db2.gz FQABABYACXFNJJ-HZPDHXFCSA-N 2 1 348.466 1.534 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000351866200 445348214 /nfs/dbraw/zinc/34/82/14/445348214.db2.gz RAWNWUFMMFTJOE-WBVHZDCISA-N 2 1 341.459 1.217 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000351866200 445348215 /nfs/dbraw/zinc/34/82/15/445348215.db2.gz RAWNWUFMMFTJOE-WBVHZDCISA-N 2 1 341.459 1.217 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1CCC(Cc2ccccc2CO)CC1)C1CC1 ZINC000351966745 445405413 /nfs/dbraw/zinc/40/54/13/445405413.db2.gz DQWFQYRAFRLBSL-FQEVSTJZSA-N 2 1 332.488 1.889 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(Cc2ccccc2CO)CC1)C1CC1 ZINC000351966745 445405417 /nfs/dbraw/zinc/40/54/17/445405417.db2.gz DQWFQYRAFRLBSL-FQEVSTJZSA-N 2 1 332.488 1.889 20 0 EDADMP CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357088700 445420021 /nfs/dbraw/zinc/42/00/21/445420021.db2.gz TUJQDULUXZEZLR-INIZCTEOSA-N 2 1 344.459 1.905 20 0 EDADMP COCc1nnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000357205788 445480909 /nfs/dbraw/zinc/48/09/09/445480909.db2.gz LQLSBTNCBMJCDA-UHFFFAOYSA-N 2 1 348.476 1.704 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1)[C@@H]1CCOC1 ZINC000354930641 445434035 /nfs/dbraw/zinc/43/40/35/445434035.db2.gz YRUKAQRGNBOHPB-XGUBFFRZSA-N 2 1 337.443 1.474 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354981446 445438439 /nfs/dbraw/zinc/43/84/39/445438439.db2.gz YAXOUVBUUCHWAH-YVSFHVDLSA-N 2 1 325.497 1.530 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354981446 445438443 /nfs/dbraw/zinc/43/84/43/445438443.db2.gz YAXOUVBUUCHWAH-YVSFHVDLSA-N 2 1 325.497 1.530 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354981446 445438447 /nfs/dbraw/zinc/43/84/47/445438447.db2.gz YAXOUVBUUCHWAH-YVSFHVDLSA-N 2 1 325.497 1.530 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354981446 445438451 /nfs/dbraw/zinc/43/84/51/445438451.db2.gz YAXOUVBUUCHWAH-YVSFHVDLSA-N 2 1 325.497 1.530 20 0 EDADMP Cn1nccc1[C@@H]1[C@@H](CNC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000348951341 445451794 /nfs/dbraw/zinc/45/17/94/445451794.db2.gz VHZSIGSRFXPMBG-WBVHZDCISA-N 2 1 333.480 1.261 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000359857843 445462947 /nfs/dbraw/zinc/46/29/47/445462947.db2.gz PIEHZQKXPZYGON-GJZGRUSLSA-N 2 1 336.480 1.561 20 0 EDADMP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000352102921 445493362 /nfs/dbraw/zinc/49/33/62/445493362.db2.gz VIFTZYLMCYOKFC-MAUKXSAKSA-N 2 1 348.491 1.113 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000357240122 445500513 /nfs/dbraw/zinc/50/05/13/445500513.db2.gz JLUHYEREABWFJZ-QRQLOZEOSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357423336 445557888 /nfs/dbraw/zinc/55/78/88/445557888.db2.gz PDHPAYMCZLJPCH-UTSKFRMZSA-N 2 1 325.497 1.719 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357423336 445557889 /nfs/dbraw/zinc/55/78/89/445557889.db2.gz PDHPAYMCZLJPCH-UTSKFRMZSA-N 2 1 325.497 1.719 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3cnc(N(C)C)nc3)C2)nc(C)[nH+]1 ZINC000360095498 445563764 /nfs/dbraw/zinc/56/37/64/445563764.db2.gz KZRYPJOHWROVCG-INIZCTEOSA-N 2 1 341.463 1.708 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000349408590 445579558 /nfs/dbraw/zinc/57/95/58/445579558.db2.gz GDAJIIUMISNAPY-INIZCTEOSA-N 2 1 340.512 1.166 20 0 EDADMP CC[C@H](C(=O)N1CC[C@@H]([NH+](C)CCO)[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000356070328 445601791 /nfs/dbraw/zinc/60/17/91/445601791.db2.gz RPZACNGAZHELBE-BHIYHBOVSA-N 2 1 347.503 1.811 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000349663327 445639610 /nfs/dbraw/zinc/63/96/10/445639610.db2.gz PPGUGSLOWFMZCU-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000349663327 445639613 /nfs/dbraw/zinc/63/96/13/445639613.db2.gz PPGUGSLOWFMZCU-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC1(O)CCC1 ZINC000353540062 445648543 /nfs/dbraw/zinc/64/85/43/445648543.db2.gz YGIFHBCEPGSBRL-SJLPKXTDSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC1(O)CCC1 ZINC000353540062 445648547 /nfs/dbraw/zinc/64/85/47/445648547.db2.gz YGIFHBCEPGSBRL-SJLPKXTDSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC1(O)CCC1 ZINC000353540062 445648551 /nfs/dbraw/zinc/64/85/51/445648551.db2.gz YGIFHBCEPGSBRL-SJLPKXTDSA-N 2 1 345.487 1.612 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000353554082 445654590 /nfs/dbraw/zinc/65/45/90/445654590.db2.gz UMROZGGPUGLVBZ-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](CO)c2ccccc2)CC1 ZINC000358573683 445658155 /nfs/dbraw/zinc/65/81/55/445658155.db2.gz AFMDOUCXTUNMTO-GOSISDBHSA-N 2 1 333.476 1.641 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](CO)c2ccccc2)CC1 ZINC000358573683 445658157 /nfs/dbraw/zinc/65/81/57/445658157.db2.gz AFMDOUCXTUNMTO-GOSISDBHSA-N 2 1 333.476 1.641 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000353569573 445660721 /nfs/dbraw/zinc/66/07/21/445660721.db2.gz RJDRDUDECVPCRF-GOSISDBHSA-N 2 1 340.556 1.493 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000353576660 445663683 /nfs/dbraw/zinc/66/36/83/445663683.db2.gz JCODYYKIUNHGET-QGZVFWFLSA-N 2 1 333.480 1.227 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000353579490 445664580 /nfs/dbraw/zinc/66/45/80/445664580.db2.gz PVCHMVBJMJAPDC-ZWKOTPCHSA-N 2 1 330.476 1.315 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[C@@H](c1ccccc1)[NH+](C)C ZINC000356233289 445690127 /nfs/dbraw/zinc/69/01/27/445690127.db2.gz PPKXMGCYPVLNKE-SZMVWBNQSA-N 2 1 330.476 1.184 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000349845583 445697235 /nfs/dbraw/zinc/69/72/35/445697235.db2.gz HQSCLJZWZRZFHZ-IAGOWNOFSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)(C)n1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000353667699 445699541 /nfs/dbraw/zinc/69/95/41/445699541.db2.gz DOCPJOWMBBYKAO-UHFFFAOYSA-N 2 1 335.496 1.720 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000356284383 445717670 /nfs/dbraw/zinc/71/76/70/445717670.db2.gz PGBTYBHQAXJANZ-UHFFFAOYSA-N 2 1 338.496 1.415 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(CCCC(=O)OC)CC2)C1 ZINC000361467883 445773565 /nfs/dbraw/zinc/77/35/65/445773565.db2.gz YGWAVWZEUOVZFT-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC2CC[NH+](CCCC(=O)OC)CC2)C1 ZINC000361467883 445773569 /nfs/dbraw/zinc/77/35/69/445773569.db2.gz YGWAVWZEUOVZFT-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC2CC[NH+](CCCC(=O)OC)CC2)C1 ZINC000361467883 445773571 /nfs/dbraw/zinc/77/35/71/445773571.db2.gz YGWAVWZEUOVZFT-MRXNPFEDSA-N 3 1 325.497 1.726 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)C[NH+]1CCOCC1 ZINC000350068431 445760834 /nfs/dbraw/zinc/76/08/34/445760834.db2.gz DMVYJZTWRMNBLJ-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP CC(=O)NCCC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358862735 445816994 /nfs/dbraw/zinc/81/69/94/445816994.db2.gz BCAAWWCJQGFSJV-IYBDPMFKSA-N 2 1 341.496 1.103 20 0 EDADMP CC(=O)NCCC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358862735 445816998 /nfs/dbraw/zinc/81/69/98/445816998.db2.gz BCAAWWCJQGFSJV-IYBDPMFKSA-N 2 1 341.496 1.103 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000356509907 445831945 /nfs/dbraw/zinc/83/19/45/445831945.db2.gz UYVDNMGBEKFOEY-HOTGVXAUSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000358848945 445808689 /nfs/dbraw/zinc/80/86/89/445808689.db2.gz AZVWJLJOHNYABP-DLBZAZTESA-N 2 1 337.439 1.341 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000359002357 445882708 /nfs/dbraw/zinc/88/27/08/445882708.db2.gz OCTVNCASMNPXLT-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000359002357 445882713 /nfs/dbraw/zinc/88/27/13/445882713.db2.gz OCTVNCASMNPXLT-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP CC[C@@]1(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000363511314 445839138 /nfs/dbraw/zinc/83/91/38/445839138.db2.gz JVENRCDDESCGSO-YLJYHZDGSA-N 2 1 344.503 1.703 20 0 EDADMP [NH3+]CCCN(Cc1ccccc1)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000358911341 445844705 /nfs/dbraw/zinc/84/47/05/445844705.db2.gz CYYGLFZAHLYCGK-OAHLLOKOSA-N 2 1 327.432 1.478 20 0 EDADMP CC[N@H+](CCC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1)CC(C)C ZINC000359013984 445888329 /nfs/dbraw/zinc/88/83/29/445888329.db2.gz RYJLQCYDHWXNII-GOSISDBHSA-N 2 1 339.524 1.924 20 0 EDADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1)CC(C)C ZINC000359013984 445888333 /nfs/dbraw/zinc/88/83/33/445888333.db2.gz RYJLQCYDHWXNII-GOSISDBHSA-N 2 1 339.524 1.924 20 0 EDADMP CC[NH+](CCC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1)CC(C)C ZINC000359013984 445888338 /nfs/dbraw/zinc/88/83/38/445888338.db2.gz RYJLQCYDHWXNII-GOSISDBHSA-N 2 1 339.524 1.924 20 0 EDADMP CC[NH+](CCC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1)CC(C)C ZINC000359013984 445888344 /nfs/dbraw/zinc/88/83/44/445888344.db2.gz RYJLQCYDHWXNII-GOSISDBHSA-N 2 1 339.524 1.924 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000364060887 445893661 /nfs/dbraw/zinc/89/36/61/445893661.db2.gz RTHMWVLMORDREW-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000356729495 445972525 /nfs/dbraw/zinc/97/25/25/445972525.db2.gz GZFRZLIGNVJWIJ-GXTWGEPZSA-N 2 1 330.436 1.435 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000356729495 445972528 /nfs/dbraw/zinc/97/25/28/445972528.db2.gz GZFRZLIGNVJWIJ-GXTWGEPZSA-N 2 1 330.436 1.435 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cnnn1C ZINC000369205104 445993077 /nfs/dbraw/zinc/99/30/77/445993077.db2.gz QVGPBIFPSGHNIU-UHFFFAOYSA-N 2 1 348.495 1.083 20 0 EDADMP C[C@@H]1COCCN1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354147083 445945511 /nfs/dbraw/zinc/94/55/11/445945511.db2.gz REAUBULRNIXWDH-CRAIPNDOSA-N 2 1 349.450 1.627 20 0 EDADMP C[C@@H]1COCCN1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000354147083 445945518 /nfs/dbraw/zinc/94/55/18/445945518.db2.gz REAUBULRNIXWDH-CRAIPNDOSA-N 2 1 349.450 1.627 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000583085529 325997752 /nfs/dbraw/zinc/99/77/52/325997752.db2.gz GTFCPGZTKSXTOY-IRXDYDNUSA-N 2 1 331.460 1.932 20 0 EDADMP Cc1ccc([C@@H](NCC(=O)N2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000369289785 446050685 /nfs/dbraw/zinc/05/06/85/446050685.db2.gz FDQIVHNYEIECJR-HXUWFJFHSA-N 2 1 338.455 1.843 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000583386369 326063445 /nfs/dbraw/zinc/06/34/45/326063445.db2.gz UDPYTIFCOZLIPD-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP CSc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000583871841 326157070 /nfs/dbraw/zinc/15/70/70/326157070.db2.gz FAXWKVSAUNVTBX-HUUCEWRRSA-N 2 1 340.489 1.195 20 0 EDADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000584005586 326183123 /nfs/dbraw/zinc/18/31/23/326183123.db2.gz ZCKWEEHRSNDDNU-CVEARBPZSA-N 2 1 325.416 1.129 20 0 EDADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000584005586 326183126 /nfs/dbraw/zinc/18/31/26/326183126.db2.gz ZCKWEEHRSNDDNU-CVEARBPZSA-N 2 1 325.416 1.129 20 0 EDADMP CCC[N@H+]1CC[C@H](CNCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000584286980 326235469 /nfs/dbraw/zinc/23/54/69/326235469.db2.gz QEXAVSWZYPOCOJ-CQSZACIVSA-N 2 1 328.453 1.921 20 0 EDADMP CCCN1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000584286980 326235472 /nfs/dbraw/zinc/23/54/72/326235472.db2.gz QEXAVSWZYPOCOJ-CQSZACIVSA-N 2 1 328.453 1.921 20 0 EDADMP C[C@@H]1C[NH+](CC2CCN(C[C@H](O)C[N@@H+](C)C3CC3)CC2)C[C@@H](C)O1 ZINC000351474851 446074849 /nfs/dbraw/zinc/07/48/49/446074849.db2.gz HNNTXNOTOYNGOV-GPMSIDNRSA-N 2 1 339.524 1.263 20 0 EDADMP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H](O)CN(C)C3CC3)CC2)C[C@@H](C)O1 ZINC000351474851 446074852 /nfs/dbraw/zinc/07/48/52/446074852.db2.gz HNNTXNOTOYNGOV-GPMSIDNRSA-N 2 1 339.524 1.263 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000369345432 446089836 /nfs/dbraw/zinc/08/98/36/446089836.db2.gz LAUVRODFUSKEPF-IBGZPJMESA-N 2 1 344.503 1.600 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351493099 446096732 /nfs/dbraw/zinc/09/67/32/446096732.db2.gz LURATASJTKJNNU-AYRXBEOTSA-N 2 1 331.416 1.454 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351493099 446096741 /nfs/dbraw/zinc/09/67/41/446096741.db2.gz LURATASJTKJNNU-AYRXBEOTSA-N 2 1 331.416 1.454 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000359266887 446103580 /nfs/dbraw/zinc/10/35/80/446103580.db2.gz UXOOJHDZNRLEAF-CVEARBPZSA-N 2 1 340.512 1.214 20 0 EDADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359274861 446111206 /nfs/dbraw/zinc/11/12/06/446111206.db2.gz FBIGZGPUJLNYCT-OAHLLOKOSA-N 2 1 336.480 1.167 20 0 EDADMP CCOC(=O)c1coc(CNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000354333241 446119349 /nfs/dbraw/zinc/11/93/49/446119349.db2.gz XOEWZNIDXOCLQV-CYBMUJFWSA-N 2 1 337.420 1.133 20 0 EDADMP C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000369439677 446121410 /nfs/dbraw/zinc/12/14/10/446121410.db2.gz WQQGTYPIAVTLCI-KBAYOESNSA-N 2 1 330.476 1.998 20 0 EDADMP CCCn1ccnc1CCCN(C)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000365292530 446129959 /nfs/dbraw/zinc/12/99/59/446129959.db2.gz AJMANSBCIQAVOG-MRXNPFEDSA-N 2 1 333.480 1.074 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC000354380892 446163017 /nfs/dbraw/zinc/16/30/17/446163017.db2.gz CRYRGRHEULXMBZ-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC000354380892 446163018 /nfs/dbraw/zinc/16/30/18/446163018.db2.gz CRYRGRHEULXMBZ-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3C[C@@H](C)[C@H](CO)C3)cc2)C[C@H]1CO ZINC000362073568 446193501 /nfs/dbraw/zinc/19/35/01/446193501.db2.gz XSVZJNJHRYCLMQ-JSJNYSNDSA-N 2 1 332.488 1.807 20 0 EDADMP C[C@H]1C[NH+](Cc2ccc(C[N@@H+]3C[C@@H](C)[C@H](CO)C3)cc2)C[C@H]1CO ZINC000362073568 446193509 /nfs/dbraw/zinc/19/35/09/446193509.db2.gz XSVZJNJHRYCLMQ-JSJNYSNDSA-N 2 1 332.488 1.807 20 0 EDADMP C[C@H]1C[NH+](Cc2ccc(C[N@H+]3C[C@@H](C)[C@H](CO)C3)cc2)C[C@H]1CO ZINC000362073568 446193513 /nfs/dbraw/zinc/19/35/13/446193513.db2.gz XSVZJNJHRYCLMQ-JSJNYSNDSA-N 2 1 332.488 1.807 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@@H]3C(F)(F)F)C[C@H]2C1 ZINC000351590801 446188423 /nfs/dbraw/zinc/18/84/23/446188423.db2.gz ZBEWYTRGTRJTOI-SYQHCUMBSA-N 2 1 347.425 1.915 20 0 EDADMP COc1ccc([C@H](CNc2cc[nH+]c(N(C)C)n2)[NH+](C)C)cc1OC ZINC000354365355 446148647 /nfs/dbraw/zinc/14/86/47/446148647.db2.gz JCCPSSZXXVQEGA-AWEZNQCLSA-N 2 1 345.447 2.275 20 0 EDADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cc1 ZINC000369706343 446149335 /nfs/dbraw/zinc/14/93/35/446149335.db2.gz JMTWIRQYOGIAQH-GOSISDBHSA-N 2 1 331.460 1.708 20 0 EDADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC[N@H+](C3CCOCC3)CC2)cc1 ZINC000369706343 446149339 /nfs/dbraw/zinc/14/93/39/446149339.db2.gz JMTWIRQYOGIAQH-GOSISDBHSA-N 2 1 331.460 1.708 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000373300114 446153936 /nfs/dbraw/zinc/15/39/36/446153936.db2.gz QGXQJYPGYRBZBB-OAHLLOKOSA-N 2 1 335.492 1.573 20 0 EDADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000370288073 446214880 /nfs/dbraw/zinc/21/48/80/446214880.db2.gz LKDWSYSDUFFNIF-SFHVURJKSA-N 2 1 336.524 1.348 20 0 EDADMP OC[C@H]1[C@@H]2C[NH+](Cc3cccc(C[N@@H+]4C[C@H]5[C@H](CO)[C@H]5C4)c3)C[C@H]12 ZINC000366444459 446218233 /nfs/dbraw/zinc/21/82/33/446218233.db2.gz RPRUGTAREJILJV-BVFILSHUSA-N 2 1 328.456 1.027 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000365498338 446231767 /nfs/dbraw/zinc/23/17/67/446231767.db2.gz NDUCXLMZNRZCQH-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000365498338 446231770 /nfs/dbraw/zinc/23/17/70/446231770.db2.gz NDUCXLMZNRZCQH-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000365498338 446231772 /nfs/dbraw/zinc/23/17/72/446231772.db2.gz NDUCXLMZNRZCQH-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+](C)CCNc1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC000359483833 446251226 /nfs/dbraw/zinc/25/12/26/446251226.db2.gz ANXAERFMXFRIDR-UHFFFAOYSA-N 2 1 328.464 1.745 20 0 EDADMP CC[N@@H+](C)CCNc1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC000359483833 446251229 /nfs/dbraw/zinc/25/12/29/446251229.db2.gz ANXAERFMXFRIDR-UHFFFAOYSA-N 2 1 328.464 1.745 20 0 EDADMP C[C@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000366597491 446275238 /nfs/dbraw/zinc/27/52/38/446275238.db2.gz NNYSMXQJMPOODK-IPELMVKDSA-N 2 1 335.467 1.817 20 0 EDADMP C[C@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000366597491 446275244 /nfs/dbraw/zinc/27/52/44/446275244.db2.gz NNYSMXQJMPOODK-IPELMVKDSA-N 2 1 335.467 1.817 20 0 EDADMP C[C@@H](C(=O)NC(C)(C)CC[NH+]1CCCCCC1)N1CC[NH+](C)CC1 ZINC000359528605 446277641 /nfs/dbraw/zinc/27/76/41/446277641.db2.gz DAQWLBABIOFCEA-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000365660159 446292132 /nfs/dbraw/zinc/29/21/32/446292132.db2.gz FHHIKBSRKSRJJK-MAUKXSAKSA-N 2 1 343.487 1.816 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCCO1 ZINC000365660159 446292135 /nfs/dbraw/zinc/29/21/35/446292135.db2.gz FHHIKBSRKSRJJK-MAUKXSAKSA-N 2 1 343.487 1.816 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCCO1 ZINC000365660159 446292140 /nfs/dbraw/zinc/29/21/40/446292140.db2.gz FHHIKBSRKSRJJK-MAUKXSAKSA-N 2 1 343.487 1.816 20 0 EDADMP C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)ccn1 ZINC000365695255 446304387 /nfs/dbraw/zinc/30/43/87/446304387.db2.gz BWLIHZLCLOYOAQ-HNNXBMFYSA-N 2 1 343.431 1.412 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000417338402 446347596 /nfs/dbraw/zinc/34/75/96/446347596.db2.gz KBMTUTMLOBABER-RKVPGOIHSA-N 2 1 330.476 1.873 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCOc3ccccc3C2)CC[N@H+]1C ZINC000370541629 446323954 /nfs/dbraw/zinc/32/39/54/446323954.db2.gz HZNVHCHHIQYHMI-WBVHZDCISA-N 2 1 331.460 1.870 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC[C@H]3C[NH3+])c2)CCO1 ZINC000417273243 446337534 /nfs/dbraw/zinc/33/75/34/446337534.db2.gz WTGRTBAYOMOSPZ-QAPCUYQASA-N 2 1 346.475 1.540 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC[C@H]3C[NH3+])c2)CCO1 ZINC000417273243 446337537 /nfs/dbraw/zinc/33/75/37/446337537.db2.gz WTGRTBAYOMOSPZ-QAPCUYQASA-N 2 1 346.475 1.540 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000370612067 446358369 /nfs/dbraw/zinc/35/83/69/446358369.db2.gz HXHOSUXRYPAHPM-LJQANCHMSA-N 2 1 327.472 1.893 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)CC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417902411 446381237 /nfs/dbraw/zinc/38/12/37/446381237.db2.gz XOJCKDBQTMBQRW-SZMVWBNQSA-N 2 1 348.491 1.703 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)CC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417902411 446381239 /nfs/dbraw/zinc/38/12/39/446381239.db2.gz XOJCKDBQTMBQRW-SZMVWBNQSA-N 2 1 348.491 1.703 20 0 EDADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000417911994 446383477 /nfs/dbraw/zinc/38/34/77/446383477.db2.gz IEZZJEXGAUXZRY-RDJZCZTQSA-N 2 1 328.476 1.840 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000417911994 446383480 /nfs/dbraw/zinc/38/34/80/446383480.db2.gz IEZZJEXGAUXZRY-RDJZCZTQSA-N 2 1 328.476 1.840 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cnn3ccccc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370700300 446393150 /nfs/dbraw/zinc/39/31/50/446393150.db2.gz SCJMABVBBZJJOI-AEFFLSMTSA-N 2 1 327.476 1.792 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cnn3ccccc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370700300 446393156 /nfs/dbraw/zinc/39/31/56/446393156.db2.gz SCJMABVBBZJJOI-AEFFLSMTSA-N 2 1 327.476 1.792 20 0 EDADMP C[C@@H]([NH3+])CCNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418075900 446432708 /nfs/dbraw/zinc/43/27/08/446432708.db2.gz HNFOXDBMYBOJCX-GDBMZVCRSA-N 2 1 336.505 1.641 20 0 EDADMP C[C@@H]([NH3+])CCNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418075900 446432714 /nfs/dbraw/zinc/43/27/14/446432714.db2.gz HNFOXDBMYBOJCX-GDBMZVCRSA-N 2 1 336.505 1.641 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2nc3cccnc3s2)C1)N1CC[NH2+]CC1 ZINC000420287443 446452777 /nfs/dbraw/zinc/45/27/77/446452777.db2.gz GJOSHHULBCSHFJ-ZDUSSCGKSA-N 2 1 345.472 1.335 20 0 EDADMP CN1CCN(C(=O)CC[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)CC1 ZINC000366977000 446439495 /nfs/dbraw/zinc/43/94/95/446439495.db2.gz QKMQMMOKQDZOOC-KRWDZBQOSA-N 2 1 348.535 1.347 20 0 EDADMP C[N@H+](C[C@@H]1CC12CC[NH+](CCC(=O)N1CC[NH+](C)CC1)CC2)C1CC1 ZINC000366977000 446439498 /nfs/dbraw/zinc/43/94/98/446439498.db2.gz QKMQMMOKQDZOOC-KRWDZBQOSA-N 3 1 348.535 1.347 20 0 EDADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCC(=O)N1CC[NH+](C)CC1)CC2)C1CC1 ZINC000366977000 446439504 /nfs/dbraw/zinc/43/95/04/446439504.db2.gz QKMQMMOKQDZOOC-KRWDZBQOSA-N 3 1 348.535 1.347 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418099199 446440060 /nfs/dbraw/zinc/44/00/60/446440060.db2.gz BSQZJFIBNXZLQW-AZUAARDMSA-N 2 1 342.487 1.904 20 0 EDADMP CN1CC[NH2+]C[C@@H]1CNc1cc[nH+]c2ccc(Br)cc12 ZINC000420275033 446445265 /nfs/dbraw/zinc/44/52/65/446445265.db2.gz NOOWRMIOXTYQCH-GFCCVEGCSA-N 2 1 335.249 1.735 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CCCO[C@H](C[NH3+])C2)n1 ZINC000420288146 446453379 /nfs/dbraw/zinc/45/33/79/446453379.db2.gz SCFOAYNXSZMANW-VYDXJSESSA-N 2 1 349.479 1.646 20 0 EDADMP Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000366991561 446448616 /nfs/dbraw/zinc/44/86/16/446448616.db2.gz YRBVDBPQBYLUCC-GOSISDBHSA-N 2 1 347.507 1.519 20 0 EDADMP Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000366991561 446448623 /nfs/dbraw/zinc/44/86/23/446448623.db2.gz YRBVDBPQBYLUCC-GOSISDBHSA-N 2 1 347.507 1.519 20 0 EDADMP C[C@@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417982872 446406568 /nfs/dbraw/zinc/40/65/68/446406568.db2.gz AVQYVABFDUUENJ-OWYHZJEWSA-N 2 1 342.487 1.758 20 0 EDADMP C[NH2+]CCCNC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000417984525 446408221 /nfs/dbraw/zinc/40/82/21/446408221.db2.gz GIEKOIWGCPJXKA-ZWKOTPCHSA-N 2 1 346.475 1.882 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000417988242 446409398 /nfs/dbraw/zinc/40/93/98/446409398.db2.gz ILOXBGAFTXERKZ-QGTPRVQTSA-N 2 1 346.475 1.193 20 0 EDADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418039676 446423130 /nfs/dbraw/zinc/42/31/30/446423130.db2.gz USCXWEAEFFLGDO-ZWKOTPCHSA-N 2 1 348.491 1.512 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000420298262 446462170 /nfs/dbraw/zinc/46/21/70/446462170.db2.gz ZTLZIKDJHRELNI-RHSMWYFYSA-N 2 1 349.475 1.783 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000420298262 446462182 /nfs/dbraw/zinc/46/21/82/446462182.db2.gz ZTLZIKDJHRELNI-RHSMWYFYSA-N 2 1 349.475 1.783 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000418227418 446464800 /nfs/dbraw/zinc/46/48/00/446464800.db2.gz QRFGSSYZXHGWKO-KRWDZBQOSA-N 2 1 334.464 1.270 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423306800 446481537 /nfs/dbraw/zinc/48/15/37/446481537.db2.gz MACRXGJDTBGPAX-DOTOQJQBSA-N 2 1 333.480 1.802 20 0 EDADMP COC(=O)c1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420315979 446481653 /nfs/dbraw/zinc/48/16/53/446481653.db2.gz SLLZWXUHORTKKX-OAHLLOKOSA-N 2 1 333.432 1.293 20 0 EDADMP COC(=O)c1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420315979 446481660 /nfs/dbraw/zinc/48/16/60/446481660.db2.gz SLLZWXUHORTKKX-OAHLLOKOSA-N 2 1 333.432 1.293 20 0 EDADMP O=C1NC[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCN12 ZINC000411309051 446483930 /nfs/dbraw/zinc/48/39/30/446483930.db2.gz KYQRJSADCMOWNV-GOSISDBHSA-N 2 1 328.460 1.882 20 0 EDADMP O=C1NC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCN12 ZINC000411309051 446483935 /nfs/dbraw/zinc/48/39/35/446483935.db2.gz KYQRJSADCMOWNV-GOSISDBHSA-N 2 1 328.460 1.882 20 0 EDADMP CN(CC1CCCCC1)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322339 446487435 /nfs/dbraw/zinc/48/74/35/446487435.db2.gz DTGNDSNJGQYMGC-QGZVFWFLSA-N 2 1 337.508 1.712 20 0 EDADMP CN(CC1CCCCC1)C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322339 446487444 /nfs/dbraw/zinc/48/74/44/446487444.db2.gz DTGNDSNJGQYMGC-QGZVFWFLSA-N 2 1 337.508 1.712 20 0 EDADMP C[C@@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000423329015 446490001 /nfs/dbraw/zinc/49/00/01/446490001.db2.gz MOXZKQBPKJSGGD-PMPSAXMXSA-N 2 1 347.507 1.737 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420325064 446491173 /nfs/dbraw/zinc/49/11/73/446491173.db2.gz HXVKLVHXFILKTF-CVEARBPZSA-N 2 1 345.443 1.733 20 0 EDADMP Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nc12 ZINC000420334468 446504877 /nfs/dbraw/zinc/50/48/77/446504877.db2.gz GLJBVHPSAXQZME-HZPDHXFCSA-N 2 1 326.444 1.824 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC12CCOCC2 ZINC000420335458 446506406 /nfs/dbraw/zinc/50/64/06/446506406.db2.gz UYPFMBIHGBSEQE-FUHWJXTLSA-N 2 1 343.471 1.694 20 0 EDADMP [NH3+]C[C@H]1C[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC12CCOCC2 ZINC000420335458 446506410 /nfs/dbraw/zinc/50/64/10/446506410.db2.gz UYPFMBIHGBSEQE-FUHWJXTLSA-N 2 1 343.471 1.694 20 0 EDADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1 ZINC000418341353 446506710 /nfs/dbraw/zinc/50/67/10/446506710.db2.gz DCORSMOLDAAIRV-CRAIPNDOSA-N 2 1 348.491 1.518 20 0 EDADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1 ZINC000418341353 446506716 /nfs/dbraw/zinc/50/67/16/446506716.db2.gz DCORSMOLDAAIRV-CRAIPNDOSA-N 2 1 348.491 1.518 20 0 EDADMP CCNc1nc(N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)nc(NC(C)(C)C)[nH+]1 ZINC000376454969 446506888 /nfs/dbraw/zinc/50/68/88/446506888.db2.gz NPKMOCAQIXWTKR-STQMWFEESA-N 2 1 333.484 1.466 20 0 EDADMP CCNc1nc(N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)nc(NC(C)(C)C)[nH+]1 ZINC000376454969 446506893 /nfs/dbraw/zinc/50/68/93/446506893.db2.gz NPKMOCAQIXWTKR-STQMWFEESA-N 2 1 333.484 1.466 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420342318 446513063 /nfs/dbraw/zinc/51/30/63/446513063.db2.gz PGNADXYOAYYVJC-SJORKVTESA-N 2 1 331.460 1.633 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000423390717 446514276 /nfs/dbraw/zinc/51/42/76/446514276.db2.gz MRPBAHWKECFNQW-PVAVHDDUSA-N 2 1 347.459 1.388 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCOCCOc2ccccc2)CC12CCOCC2 ZINC000420329699 446499574 /nfs/dbraw/zinc/49/95/74/446499574.db2.gz OSSSCUAWJCSMPK-QGZVFWFLSA-N 2 1 334.460 1.769 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000423360221 446500193 /nfs/dbraw/zinc/50/01/93/446500193.db2.gz QBNIXCBHOYJIHF-HUUCEWRRSA-N 2 1 333.480 1.727 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000423361620 446500437 /nfs/dbraw/zinc/50/04/37/446500437.db2.gz XGXNULQRVNGISV-INIZCTEOSA-N 2 1 345.487 1.774 20 0 EDADMP COC(=O)c1ccccc1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420386974 446562509 /nfs/dbraw/zinc/56/25/09/446562509.db2.gz VOGBERGLNADBGE-HNNXBMFYSA-N 2 1 329.404 1.361 20 0 EDADMP COC(=O)c1ccccc1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420386974 446562515 /nfs/dbraw/zinc/56/25/15/446562515.db2.gz VOGBERGLNADBGE-HNNXBMFYSA-N 2 1 329.404 1.361 20 0 EDADMP [NH3+]C1CCC(NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418401181 446529266 /nfs/dbraw/zinc/52/92/66/446529266.db2.gz NIWINDZTRZYLIJ-FAFZWHIHSA-N 2 1 346.475 1.193 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000418402531 446530646 /nfs/dbraw/zinc/53/06/46/446530646.db2.gz HPZDSMRQFZXPTJ-GVDBMIGSSA-N 3 1 339.528 1.171 20 0 EDADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000418404625 446532101 /nfs/dbraw/zinc/53/21/01/446532101.db2.gz CXTFIAVZOXYQJK-ZOWQXGHRSA-N 2 1 332.492 1.928 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)NCC(C)(C)[NH3+])CC1)Cc1ccccc1 ZINC000418419043 446538954 /nfs/dbraw/zinc/53/89/54/446538954.db2.gz YZQNLXSTSHYJTC-UHFFFAOYSA-N 2 1 347.507 1.183 20 0 EDADMP Cc1ccncc1CCC[N@@H+]1CC[C@@H](N(C)Cc2nccc(N)n2)C1 ZINC000367370928 446539614 /nfs/dbraw/zinc/53/96/14/446539614.db2.gz NIRWMYICHCDQAZ-QGZVFWFLSA-N 2 1 340.475 1.901 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418431186 446539900 /nfs/dbraw/zinc/53/99/00/446539900.db2.gz SDMJPAXNUNTBTB-CVEARBPZSA-N 2 1 326.485 1.256 20 0 EDADMP COc1ccc(CNC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000420363902 446544423 /nfs/dbraw/zinc/54/44/23/446544423.db2.gz OJOHQDSYUUKIEK-MRXNPFEDSA-N 2 1 335.448 1.298 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418448466 446546084 /nfs/dbraw/zinc/54/60/84/446546084.db2.gz CMZMXNVACCEHAM-SJLPKXTDSA-N 2 1 330.476 1.887 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418500514 446567927 /nfs/dbraw/zinc/56/79/27/446567927.db2.gz PXTGBBLDMJQCIH-AEFFLSMTSA-N 2 1 330.476 1.887 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423476802 446551489 /nfs/dbraw/zinc/55/14/89/446551489.db2.gz RPFZYHOXPIWDOM-DZOHQFGASA-N 2 1 349.450 1.402 20 0 EDADMP CCC[NH2+]CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418467222 446555433 /nfs/dbraw/zinc/55/54/33/446555433.db2.gz ICXCGFQHFCSKPA-ZWKOTPCHSA-N 2 1 348.491 1.168 20 0 EDADMP C[NH2+]CCCN(C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000420393266 446569226 /nfs/dbraw/zinc/56/92/26/446569226.db2.gz XHIZVJQUGMNJTK-UHFFFAOYSA-N 2 1 346.519 1.571 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H]([NH+](C)C)C2)CCCO1 ZINC000433451187 446575171 /nfs/dbraw/zinc/57/51/71/446575171.db2.gz BIUFZSMEDCUBOA-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)NCCCC[NH3+])CC1)Cc1ccccc1 ZINC000418515049 446577042 /nfs/dbraw/zinc/57/70/42/446577042.db2.gz VANJBTPQMNJHOM-UHFFFAOYSA-N 2 1 347.507 1.185 20 0 EDADMP O=C(NC[C@H]1CC[NH2+]C1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418529281 446581983 /nfs/dbraw/zinc/58/19/83/446581983.db2.gz SZKOMIGUQIYCJT-ICSRJNTNSA-N 2 1 342.487 1.904 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4C[NH2+]CCO4)[C@@H]3C2)cc1 ZINC000423575883 446583550 /nfs/dbraw/zinc/58/35/50/446583550.db2.gz QNIWHGOKPWBAHU-HAGHYFMRSA-N 3 1 329.488 1.865 20 0 EDADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CNCCO4)[C@@H]3C2)cc1 ZINC000423575883 446583557 /nfs/dbraw/zinc/58/35/57/446583557.db2.gz QNIWHGOKPWBAHU-HAGHYFMRSA-N 2 1 329.488 1.865 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CNCCO4)[C@@H]3C2)cc1 ZINC000423575883 446583562 /nfs/dbraw/zinc/58/35/62/446583562.db2.gz QNIWHGOKPWBAHU-HAGHYFMRSA-N 2 1 329.488 1.865 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000418543822 446587910 /nfs/dbraw/zinc/58/79/10/446587910.db2.gz BVTIPKNOUAMYME-QZTJIDSGSA-N 2 1 345.491 1.687 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418546928 446588310 /nfs/dbraw/zinc/58/83/10/446588310.db2.gz IEMPEGQRQZOHMS-KURKYZTESA-N 2 1 346.475 1.063 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H]1CC ZINC000418597793 446607901 /nfs/dbraw/zinc/60/79/01/446607901.db2.gz PXHHMGOCZGJPSM-SJORKVTESA-N 2 1 340.512 1.646 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000418669547 446643173 /nfs/dbraw/zinc/64/31/73/446643173.db2.gz JSRRBKCQGKHRDQ-BWTSREIZSA-N 2 1 342.487 1.554 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CC[NH2+]C(C)(C)C2)c2ccccc2)CC1 ZINC000423706932 446651122 /nfs/dbraw/zinc/65/11/22/446651122.db2.gz KARFQIHUUBISON-KRWDZBQOSA-N 2 1 330.476 1.186 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)F)C[C@@H]1Cc1ccccc1 ZINC000418730987 446657830 /nfs/dbraw/zinc/65/78/30/446657830.db2.gz IEUKJSIGAJYYLP-LSDHHAIUSA-N 2 1 340.418 1.537 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)F)C[C@@H]1Cc1ccccc1 ZINC000418730987 446657835 /nfs/dbraw/zinc/65/78/35/446657835.db2.gz IEUKJSIGAJYYLP-LSDHHAIUSA-N 2 1 340.418 1.537 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423721554 446659293 /nfs/dbraw/zinc/65/92/93/446659293.db2.gz ITODRZPRPMRKSA-KRWDZBQOSA-N 2 1 333.476 1.893 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000368155580 446673809 /nfs/dbraw/zinc/67/38/09/446673809.db2.gz PBDNBYLZNGNQNJ-DOTOQJQBSA-N 2 1 338.496 1.269 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000418754913 446674700 /nfs/dbraw/zinc/67/47/00/446674700.db2.gz IBUYOJPLYMJXPJ-KBPBESRZSA-N 2 1 330.423 1.357 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)cn1 ZINC000423763416 446693190 /nfs/dbraw/zinc/69/31/90/446693190.db2.gz UOKLHDNZYXESET-SFHVURJKSA-N 2 1 341.459 1.024 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)cn1 ZINC000423763416 446693191 /nfs/dbraw/zinc/69/31/91/446693191.db2.gz UOKLHDNZYXESET-SFHVURJKSA-N 2 1 341.459 1.024 20 0 EDADMP Cn1cncc1CNC(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000368196894 446702503 /nfs/dbraw/zinc/70/25/03/446702503.db2.gz YROALPCDPWDZSB-KRWDZBQOSA-N 2 1 341.459 1.926 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)cn2)CC1 ZINC000375317255 446715858 /nfs/dbraw/zinc/71/58/58/446715858.db2.gz GISLRTFEKNAPNQ-IAGOWNOFSA-N 2 1 331.464 1.372 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3[C@H]3CCCO3)cn2)CC1 ZINC000375317255 446715864 /nfs/dbraw/zinc/71/58/64/446715864.db2.gz GISLRTFEKNAPNQ-IAGOWNOFSA-N 2 1 331.464 1.372 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000411909594 446719932 /nfs/dbraw/zinc/71/99/32/446719932.db2.gz FZYGZKFLNKJNPG-WBVHZDCISA-N 2 1 344.459 1.384 20 0 EDADMP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000423749840 446679436 /nfs/dbraw/zinc/67/94/36/446679436.db2.gz CKLPGNWSDPJJMG-KRWDZBQOSA-N 2 1 326.444 1.944 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)cn1 ZINC000423753690 446683873 /nfs/dbraw/zinc/68/38/73/446683873.db2.gz GZOSDFMCFGUDLL-QGZVFWFLSA-N 2 1 333.480 1.470 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)cn1 ZINC000423753690 446683876 /nfs/dbraw/zinc/68/38/76/446683876.db2.gz GZOSDFMCFGUDLL-QGZVFWFLSA-N 2 1 333.480 1.470 20 0 EDADMP C[N@@H+](CCN1CCN([C@H]2CCC[NH+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000375399670 446775193 /nfs/dbraw/zinc/77/51/93/446775193.db2.gz ACQAEOASXBHULK-FQEVSTJZSA-N 2 1 348.510 1.969 20 0 EDADMP C[NH+](CCN1CCN([C@H]2CCC[N@H+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000375399670 446775198 /nfs/dbraw/zinc/77/51/98/446775198.db2.gz ACQAEOASXBHULK-FQEVSTJZSA-N 2 1 348.510 1.969 20 0 EDADMP C[NH+](CCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000375399670 446775205 /nfs/dbraw/zinc/77/52/05/446775205.db2.gz ACQAEOASXBHULK-FQEVSTJZSA-N 2 1 348.510 1.969 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)[C@@H]1c1ccccc1 ZINC000423934624 446785540 /nfs/dbraw/zinc/78/55/40/446785540.db2.gz WBOBSGUQRZLFEO-JLSDUUJJSA-N 2 1 331.460 1.705 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)[C@@H]1c1ccccc1 ZINC000423934624 446785544 /nfs/dbraw/zinc/78/55/44/446785544.db2.gz WBOBSGUQRZLFEO-JLSDUUJJSA-N 2 1 331.460 1.705 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424451252 446872666 /nfs/dbraw/zinc/87/26/66/446872666.db2.gz BAHDDMFDLNIAHV-AWEZNQCLSA-N 2 1 334.464 1.629 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000424458641 446876221 /nfs/dbraw/zinc/87/62/21/446876221.db2.gz UOILXCLOYZFUFJ-UKRRQHHQSA-N 2 1 346.475 1.629 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000424461786 446878916 /nfs/dbraw/zinc/87/89/16/446878916.db2.gz DLXZLBNCORTTKT-KRWDZBQOSA-N 2 1 344.459 1.525 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H](C)[NH+](C)C ZINC000454556675 446910874 /nfs/dbraw/zinc/91/08/74/446910874.db2.gz VKOIZDQCTMARHP-IRXDYDNUSA-N 2 1 347.507 1.446 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454564616 446912384 /nfs/dbraw/zinc/91/23/84/446912384.db2.gz ZFVIYEPECFITBJ-UHFFFAOYSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000442763199 446955363 /nfs/dbraw/zinc/95/53/63/446955363.db2.gz AUZBRNUPYKTPNA-CVEARBPZSA-N 2 1 341.459 1.217 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000442763199 446955374 /nfs/dbraw/zinc/95/53/74/446955374.db2.gz AUZBRNUPYKTPNA-CVEARBPZSA-N 2 1 341.459 1.217 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442761905 446955958 /nfs/dbraw/zinc/95/59/58/446955958.db2.gz DGPSGJOIOWPKSK-OWCLPIDISA-N 2 1 348.466 1.532 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC[N@H+]1C ZINC000371765770 446959456 /nfs/dbraw/zinc/95/94/56/446959456.db2.gz MTEOHZNLJNQKDD-SJLPKXTDSA-N 2 1 347.507 1.924 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419163974 446981379 /nfs/dbraw/zinc/98/13/79/446981379.db2.gz MGFSPCKXQSAQLF-WBVHZDCISA-N 2 1 348.491 1.065 20 0 EDADMP CCc1nc(CN2C[C@@H]3C[N@@H+](CCC[NH+](CC)CC)C[C@@H]3C2)no1 ZINC000377209864 446994410 /nfs/dbraw/zinc/99/44/10/446994410.db2.gz RBEGPILMBSBGLF-IYBDPMFKSA-N 2 1 335.496 1.728 20 0 EDADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3c[nH+]c4n3CCCC4)CC[C@@H]21 ZINC000377313934 447059890 /nfs/dbraw/zinc/05/98/90/447059890.db2.gz ALWNQNBLWXEFML-ZBFHGGJFSA-N 2 1 331.464 1.845 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3c[nH+]c4n3CCCC4)CC[C@@H]21 ZINC000377313934 447059895 /nfs/dbraw/zinc/05/98/95/447059895.db2.gz ALWNQNBLWXEFML-ZBFHGGJFSA-N 2 1 331.464 1.845 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000444393312 447101300 /nfs/dbraw/zinc/10/13/00/447101300.db2.gz QDMPZJKREVKUGS-IAGOWNOFSA-N 2 1 347.503 1.811 20 0 EDADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000444393312 447101307 /nfs/dbraw/zinc/10/13/07/447101307.db2.gz QDMPZJKREVKUGS-IAGOWNOFSA-N 2 1 347.503 1.811 20 0 EDADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000444393312 447101312 /nfs/dbraw/zinc/10/13/12/447101312.db2.gz QDMPZJKREVKUGS-IAGOWNOFSA-N 2 1 347.503 1.811 20 0 EDADMP NS(=O)(=O)CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377336327 447073457 /nfs/dbraw/zinc/07/34/57/447073457.db2.gz KEAGSRIGFXIXBR-DLBZAZTESA-N 2 1 337.489 1.119 20 0 EDADMP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000444175823 447088585 /nfs/dbraw/zinc/08/85/85/447088585.db2.gz LVNNPEYFODWXHS-MJGOQNOKSA-N 2 1 331.435 1.860 20 0 EDADMP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000444175823 447088589 /nfs/dbraw/zinc/08/85/89/447088589.db2.gz LVNNPEYFODWXHS-MJGOQNOKSA-N 2 1 331.435 1.860 20 0 EDADMP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000372556307 447138794 /nfs/dbraw/zinc/13/87/94/447138794.db2.gz JEJHHESIZRJNBZ-GOSISDBHSA-N 2 1 347.503 1.985 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000372556307 447138801 /nfs/dbraw/zinc/13/88/01/447138801.db2.gz JEJHHESIZRJNBZ-GOSISDBHSA-N 2 1 347.503 1.985 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+](CC(C)(C)O)CC1)c1ccccc1 ZINC000372556307 447138807 /nfs/dbraw/zinc/13/88/07/447138807.db2.gz JEJHHESIZRJNBZ-GOSISDBHSA-N 2 1 347.503 1.985 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)c1ccccc1 ZINC000372556307 447138816 /nfs/dbraw/zinc/13/88/16/447138816.db2.gz JEJHHESIZRJNBZ-GOSISDBHSA-N 2 1 347.503 1.985 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)[C@@H](C)[C@@H]2C)C1 ZINC000419394524 447148496 /nfs/dbraw/zinc/14/84/96/447148496.db2.gz PHEFQPHWTIKHRS-VVLHAWIVSA-N 2 1 325.497 1.436 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)C1 ZINC000419394524 447148502 /nfs/dbraw/zinc/14/85/02/447148502.db2.gz PHEFQPHWTIKHRS-VVLHAWIVSA-N 2 1 325.497 1.436 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)C1 ZINC000419394524 447148507 /nfs/dbraw/zinc/14/85/07/447148507.db2.gz PHEFQPHWTIKHRS-VVLHAWIVSA-N 2 1 325.497 1.436 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000368846448 447154479 /nfs/dbraw/zinc/15/44/79/447154479.db2.gz QUFVCHAWLFDTGA-TZMCWYRMSA-N 2 1 342.399 1.852 20 0 EDADMP CN(C)c1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)n1C ZINC000425363534 447128060 /nfs/dbraw/zinc/12/80/60/447128060.db2.gz WOLUHKNYGOTJJA-SFHVURJKSA-N 2 1 343.475 1.343 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000455449393 447132875 /nfs/dbraw/zinc/13/28/75/447132875.db2.gz SRYPPURCUFJXIG-DJSILETISA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000455449393 447132883 /nfs/dbraw/zinc/13/28/83/447132883.db2.gz SRYPPURCUFJXIG-DJSILETISA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000455449393 447132886 /nfs/dbraw/zinc/13/28/86/447132886.db2.gz SRYPPURCUFJXIG-DJSILETISA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419454016 447186431 /nfs/dbraw/zinc/18/64/31/447186431.db2.gz LEUOMUOQWZQSHY-TWMKSMIVSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)[C@@H](C)C[NH+]1CCO ZINC000419454016 447186437 /nfs/dbraw/zinc/18/64/37/447186437.db2.gz LEUOMUOQWZQSHY-TWMKSMIVSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)[C@@H](C)C[NH+]1CCO ZINC000419454016 447186441 /nfs/dbraw/zinc/18/64/41/447186441.db2.gz LEUOMUOQWZQSHY-TWMKSMIVSA-N 2 1 340.512 1.346 20 0 EDADMP C[NH2+]CCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000375976273 447186891 /nfs/dbraw/zinc/18/68/91/447186891.db2.gz TZMUVZRQAAZPLD-INIZCTEOSA-N 2 1 332.448 1.401 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000377536796 447188833 /nfs/dbraw/zinc/18/88/33/447188833.db2.gz WYZSGTNYQUEABA-SJORKVTESA-N 2 1 347.459 1.295 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000419480203 447212052 /nfs/dbraw/zinc/21/20/52/447212052.db2.gz WBFJZAMEMJEZLM-BRWVUGGUSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)C1 ZINC000419480203 447212060 /nfs/dbraw/zinc/21/20/60/447212060.db2.gz WBFJZAMEMJEZLM-BRWVUGGUSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)C1 ZINC000419480203 447212067 /nfs/dbraw/zinc/21/20/67/447212067.db2.gz WBFJZAMEMJEZLM-BRWVUGGUSA-N 2 1 340.512 1.061 20 0 EDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOCCNC(=O)OC(C)(C)C)CC1 ZINC000377624701 447253317 /nfs/dbraw/zinc/25/33/17/447253317.db2.gz GUGPOAKCKFIYNQ-OAHLLOKOSA-N 2 1 329.485 1.944 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC[NH+](C)C ZINC000413789070 447242419 /nfs/dbraw/zinc/24/24/19/447242419.db2.gz VIFWPCIQAFIDAL-QZTJIDSGSA-N 2 1 348.491 1.384 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cnn4ccccc34)C2)CC1 ZINC000377632584 447259158 /nfs/dbraw/zinc/25/91/58/447259158.db2.gz TUWQPXXPTIAXIP-SFHVURJKSA-N 2 1 327.476 1.936 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cnn4ccccc34)C2)CC1 ZINC000377632584 447259162 /nfs/dbraw/zinc/25/91/62/447259162.db2.gz TUWQPXXPTIAXIP-SFHVURJKSA-N 2 1 327.476 1.936 20 0 EDADMP CCCN1C[C@H](C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1=O ZINC000421886443 447268727 /nfs/dbraw/zinc/26/87/27/447268727.db2.gz RWKRBLYQEBFLKM-SQNIBIBYSA-N 2 1 339.524 1.972 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC)C2)CC1 ZINC000495482513 447509097 /nfs/dbraw/zinc/50/90/97/447509097.db2.gz VZODDWPZGIAKBU-GJZGRUSLSA-N 2 1 327.469 1.554 20 0 EDADMP COc1ccc(-c2noc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)n2)nn1 ZINC000450503492 447509935 /nfs/dbraw/zinc/50/99/35/447509935.db2.gz RUDAKBIIJJPBDW-TZMCWYRMSA-N 2 1 344.419 1.451 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000392329752 447522597 /nfs/dbraw/zinc/52/25/97/447522597.db2.gz AJMRFBSEEFLVPY-ZBFHGGJFSA-N 2 1 332.448 1.170 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000427271262 447571622 /nfs/dbraw/zinc/57/16/22/447571622.db2.gz COQUNUJWFOECNP-LJQANCHMSA-N 2 1 344.503 1.440 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000404269976 447598485 /nfs/dbraw/zinc/59/84/85/447598485.db2.gz KDKAFUXQIFWPAN-DFGXFYAUSA-N 2 1 333.476 1.860 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404391228 447600038 /nfs/dbraw/zinc/60/00/38/447600038.db2.gz PNGJVZSRGXMXKR-NTDBWNAOSA-N 2 1 345.487 1.875 20 0 EDADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459243906 447620712 /nfs/dbraw/zinc/62/07/12/447620712.db2.gz AIPGPPSLANAPPI-KRWDZBQOSA-N 2 1 347.507 1.887 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000420141424 447631203 /nfs/dbraw/zinc/63/12/03/447631203.db2.gz YLQXICLHEOBDKQ-HNNXBMFYSA-N 2 1 346.475 1.123 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416916653 447709211 /nfs/dbraw/zinc/70/92/11/447709211.db2.gz HYALSAKDYNLPIV-QLFBSQMISA-N 2 1 326.485 1.268 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416916653 447709218 /nfs/dbraw/zinc/70/92/18/447709218.db2.gz HYALSAKDYNLPIV-QLFBSQMISA-N 2 1 326.485 1.268 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000416870608 447700861 /nfs/dbraw/zinc/70/08/61/447700861.db2.gz OGXFAYBFXPSUNR-JKSUJKDBSA-N 2 1 326.485 1.114 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000416915453 447707573 /nfs/dbraw/zinc/70/75/73/447707573.db2.gz GKFHEFFOGIASIT-LXTVHRRPSA-N 2 1 326.485 1.301 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000416915453 447707578 /nfs/dbraw/zinc/70/75/78/447707578.db2.gz GKFHEFFOGIASIT-LXTVHRRPSA-N 2 1 326.485 1.301 20 0 EDADMP CC(C)c1ccc([C@H]([NH3+])CNc2cc(NC[C@H](C)O)[nH+]cn2)cc1 ZINC000420217050 447673693 /nfs/dbraw/zinc/67/36/93/447673693.db2.gz MITQWRVWOBAYQT-XJKSGUPXSA-N 2 1 329.448 2.505 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000416923407 447711572 /nfs/dbraw/zinc/71/15/72/447711572.db2.gz PUTVZQWVBRWZJQ-HRCADAONSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)C[C@H](C)O1 ZINC000416930472 447713814 /nfs/dbraw/zinc/71/38/14/447713814.db2.gz KSDASTMFYGOMOS-BARDWOONSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)C[C@H](C)O1 ZINC000416930472 447713817 /nfs/dbraw/zinc/71/38/17/447713817.db2.gz KSDASTMFYGOMOS-BARDWOONSA-N 2 1 326.485 1.266 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000416944018 447719996 /nfs/dbraw/zinc/71/99/96/447719996.db2.gz CTIIRDCPGQJUAR-OIISXLGYSA-N 2 1 340.512 1.502 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422715179 447724813 /nfs/dbraw/zinc/72/48/13/447724813.db2.gz LYMWSYSXIYDZOK-IPMKNSEASA-N 2 1 345.487 1.434 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422715179 447724818 /nfs/dbraw/zinc/72/48/18/447724818.db2.gz LYMWSYSXIYDZOK-IPMKNSEASA-N 2 1 345.487 1.434 20 0 EDADMP CC[C@@H](C(=O)NCCCN1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000422713754 447725672 /nfs/dbraw/zinc/72/56/72/447725672.db2.gz HUZYSTZZWHZTOP-SFHVURJKSA-N 2 1 332.492 1.309 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422715824 447725769 /nfs/dbraw/zinc/72/57/69/447725769.db2.gz MTTNYHKFQZQWFS-MSOLQXFVSA-N 2 1 346.523 1.486 20 0 EDADMP C[NH2+]CCCNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417014998 447729594 /nfs/dbraw/zinc/72/95/94/447729594.db2.gz GCRNBWWSOVYDNX-GOSISDBHSA-N 2 1 347.507 1.274 20 0 EDADMP C[NH2+]CCCNC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000417014998 447729598 /nfs/dbraw/zinc/72/95/98/447729598.db2.gz GCRNBWWSOVYDNX-GOSISDBHSA-N 2 1 347.507 1.274 20 0 EDADMP C[NH2+]CCCNC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000417014998 447729602 /nfs/dbraw/zinc/72/96/02/447729602.db2.gz GCRNBWWSOVYDNX-GOSISDBHSA-N 2 1 347.507 1.274 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000422745437 447736231 /nfs/dbraw/zinc/73/62/31/447736231.db2.gz XRTOAFFVPDDJIG-GDBMZVCRSA-N 2 1 339.505 1.995 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1)C[NH+]1CCC2CC1 ZINC000496186509 447736973 /nfs/dbraw/zinc/73/69/73/447736973.db2.gz CUOXMJYIMAXJES-HHXXYDBFSA-N 2 1 349.475 1.752 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000422754139 447739692 /nfs/dbraw/zinc/73/96/92/447739692.db2.gz ACHJRJIOLSPPIZ-YSIASYRMSA-N 2 1 346.519 1.146 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000458337849 447772585 /nfs/dbraw/zinc/77/25/85/447772585.db2.gz REMQSLKPYPFXJR-DLBZAZTESA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000458337849 447772591 /nfs/dbraw/zinc/77/25/91/447772591.db2.gz REMQSLKPYPFXJR-DLBZAZTESA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000458337849 447772597 /nfs/dbraw/zinc/77/25/97/447772597.db2.gz REMQSLKPYPFXJR-DLBZAZTESA-N 2 1 340.512 1.253 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000422931752 447775285 /nfs/dbraw/zinc/77/52/85/447775285.db2.gz CSZGVRNCULDPMU-CHWSQXEVSA-N 2 1 345.534 1.866 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@H](CC)C1 ZINC000462012151 447797943 /nfs/dbraw/zinc/79/79/43/447797943.db2.gz SUOOXTIEZXAFMT-IXDOHACOSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000462012151 447797947 /nfs/dbraw/zinc/79/79/47/447797947.db2.gz SUOOXTIEZXAFMT-IXDOHACOSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000462012151 447797951 /nfs/dbraw/zinc/79/79/51/447797951.db2.gz SUOOXTIEZXAFMT-IXDOHACOSA-N 2 1 342.528 1.593 20 0 EDADMP O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423065215 447798977 /nfs/dbraw/zinc/79/89/77/447798977.db2.gz BBRXXQWYGNDNQE-QRVBRYPASA-N 2 1 343.471 1.432 20 0 EDADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000423109185 447806740 /nfs/dbraw/zinc/80/67/40/447806740.db2.gz UIDFMLCAIVAHTF-ZIAGYGMSSA-N 2 1 347.431 1.493 20 0 EDADMP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH+](C2CC2)CC1 ZINC000523340436 447880555 /nfs/dbraw/zinc/88/05/55/447880555.db2.gz UPUMQSTXWMPGQN-KRWDZBQOSA-N 2 1 328.460 1.600 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[NH+](C2CC2)CC1 ZINC000523340436 447880559 /nfs/dbraw/zinc/88/05/59/447880559.db2.gz UPUMQSTXWMPGQN-KRWDZBQOSA-N 2 1 328.460 1.600 20 0 EDADMP CC(C)OCC[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000530413942 447880922 /nfs/dbraw/zinc/88/09/22/447880922.db2.gz UFGKPQPFRPCOLQ-QZTJIDSGSA-N 2 1 327.513 1.263 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@H]4CCC[C@@H]43)CC2)CC1 ZINC000575812505 447905081 /nfs/dbraw/zinc/90/50/81/447905081.db2.gz MBAOSHMITNPVIG-OALUTQOASA-N 2 1 349.519 1.963 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)CC3CC[NH2+]CC3)cc2)CC1 ZINC000575919566 447928339 /nfs/dbraw/zinc/92/83/39/447928339.db2.gz OTLNUSOMHIWKSH-UHFFFAOYSA-N 2 1 330.476 1.762 20 0 EDADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)n2c1 ZINC000570026569 447935329 /nfs/dbraw/zinc/93/53/29/447935329.db2.gz GVRWQCNWAZOLDB-OAHLLOKOSA-N 2 1 325.420 1.530 20 0 EDADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)n2c1 ZINC000570026569 447935336 /nfs/dbraw/zinc/93/53/36/447935336.db2.gz GVRWQCNWAZOLDB-OAHLLOKOSA-N 2 1 325.420 1.530 20 0 EDADMP CCOCCN(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000553208340 447977750 /nfs/dbraw/zinc/97/77/50/447977750.db2.gz ATQONPBBZXOWOM-UHFFFAOYSA-N 2 1 325.497 1.678 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000576224903 448004021 /nfs/dbraw/zinc/00/40/21/448004021.db2.gz JQWKSMSQZJNORL-UHFFFAOYSA-N 2 1 334.464 1.134 20 0 EDADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000496908606 448025676 /nfs/dbraw/zinc/02/56/76/448025676.db2.gz NMMCXUSKHXCFBC-WMLDXEAASA-N 2 1 329.485 1.440 20 0 EDADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000496908606 448025683 /nfs/dbraw/zinc/02/56/83/448025683.db2.gz NMMCXUSKHXCFBC-WMLDXEAASA-N 2 1 329.485 1.440 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000531297372 448056987 /nfs/dbraw/zinc/05/69/87/448056987.db2.gz PRSAHMPWEDYRNK-VQIMIIECSA-N 2 1 331.460 1.081 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000531297372 448056995 /nfs/dbraw/zinc/05/69/95/448056995.db2.gz PRSAHMPWEDYRNK-VQIMIIECSA-N 2 1 331.460 1.081 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000531297372 448056997 /nfs/dbraw/zinc/05/69/97/448056997.db2.gz PRSAHMPWEDYRNK-VQIMIIECSA-N 2 1 331.460 1.081 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000531484978 448092445 /nfs/dbraw/zinc/09/24/45/448092445.db2.gz MLGIQDGYNMMSPP-HLLBOEOZSA-N 2 1 338.496 1.004 20 0 EDADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000496991493 448101485 /nfs/dbraw/zinc/10/14/85/448101485.db2.gz SNUVOWWZXQJAKX-VNQPRFMTSA-N 2 1 341.496 1.677 20 0 EDADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000496991493 448101489 /nfs/dbraw/zinc/10/14/89/448101489.db2.gz SNUVOWWZXQJAKX-VNQPRFMTSA-N 2 1 341.496 1.677 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]31)C2 ZINC000571336709 448139106 /nfs/dbraw/zinc/13/91/06/448139106.db2.gz OKIFGLQTCBEMIS-UOVPBQLFSA-N 2 1 346.475 1.464 20 0 EDADMP COc1ccncc1NC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000527077492 448152734 /nfs/dbraw/zinc/15/27/34/448152734.db2.gz QDLNNXFDXIPAKY-UHFFFAOYSA-N 2 1 348.447 1.608 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000514606230 448172024 /nfs/dbraw/zinc/17/20/24/448172024.db2.gz VGSZWFGYVKBITI-JTDSTZFVSA-N 2 1 345.487 1.879 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000571644873 448186171 /nfs/dbraw/zinc/18/61/71/448186171.db2.gz VBEHEOYJKNILSH-UGSOOPFHSA-N 2 1 347.507 1.956 20 0 EDADMP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000571679575 448189682 /nfs/dbraw/zinc/18/96/82/448189682.db2.gz NGBVGIMDJBHYFS-LSDHHAIUSA-N 2 1 338.402 1.407 20 0 EDADMP CS[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH+]1CCCC1 ZINC000582555426 448274139 /nfs/dbraw/zinc/27/41/39/448274139.db2.gz MYEUBHZTEYNPSN-CABCVRRESA-N 2 1 325.522 1.757 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000527544196 448261039 /nfs/dbraw/zinc/26/10/39/448261039.db2.gz ZCMXKNOQDSNROH-VQIMIIECSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000527544196 448261043 /nfs/dbraw/zinc/26/10/43/448261043.db2.gz ZCMXKNOQDSNROH-VQIMIIECSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)O1 ZINC000527547257 448264902 /nfs/dbraw/zinc/26/49/02/448264902.db2.gz SMIJBJARRKALOZ-KBAYOESNSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)O1 ZINC000527547257 448264907 /nfs/dbraw/zinc/26/49/07/448264907.db2.gz SMIJBJARRKALOZ-KBAYOESNSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)O1 ZINC000527547257 448264911 /nfs/dbraw/zinc/26/49/11/448264911.db2.gz SMIJBJARRKALOZ-KBAYOESNSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)O1 ZINC000527547257 448264913 /nfs/dbraw/zinc/26/49/13/448264913.db2.gz SMIJBJARRKALOZ-KBAYOESNSA-N 2 1 331.460 1.486 20 0 EDADMP COc1cccc([C@H](C)[NH+]2CCN(CCN3CC[NH2+]CC3)CC2)c1 ZINC000572124283 448295402 /nfs/dbraw/zinc/29/54/02/448295402.db2.gz PDZVNCMLQXQZHY-KRWDZBQOSA-N 2 1 332.492 1.279 20 0 EDADMP O=C(CC[C@H]1CC[NH2+]C1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000515655078 448340590 /nfs/dbraw/zinc/34/05/90/448340590.db2.gz DFSCFWSVVNVSPB-KRWDZBQOSA-N 2 1 330.476 1.315 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583013526 448402431 /nfs/dbraw/zinc/40/24/31/448402431.db2.gz WPSYNXWYLRMTIF-FQEVSTJZSA-N 2 1 342.487 1.830 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)CC1 ZINC000577856636 448405049 /nfs/dbraw/zinc/40/50/49/448405049.db2.gz FDQZRAPKLNWQPW-OAQYLSRUSA-N 3 1 342.531 1.933 20 0 EDADMP CC(C)N1CCN([C@@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)CC1 ZINC000577856636 448405053 /nfs/dbraw/zinc/40/50/53/448405053.db2.gz FDQZRAPKLNWQPW-OAQYLSRUSA-N 2 1 342.531 1.933 20 0 EDADMP CC(C)N1CCN([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)CC1 ZINC000577856636 448405056 /nfs/dbraw/zinc/40/50/56/448405056.db2.gz FDQZRAPKLNWQPW-OAQYLSRUSA-N 2 1 342.531 1.933 20 0 EDADMP COc1cccc(C[C@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)c1 ZINC000566246386 448428340 /nfs/dbraw/zinc/42/83/40/448428340.db2.gz MWQRUVCRXCCYGI-QGZVFWFLSA-N 2 1 331.460 1.524 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000566296940 448437446 /nfs/dbraw/zinc/43/74/46/448437446.db2.gz AEXFXQRITOEQQG-MRXNPFEDSA-N 2 1 326.529 1.545 20 0 EDADMP CC[C@H](CNC(=O)CC(F)(F)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000584358156 448498628 /nfs/dbraw/zinc/49/86/28/448498628.db2.gz KNJVQMAGWLWKLH-OAHLLOKOSA-N 2 1 325.403 1.924 20 0 EDADMP CC[C@H](CNC(=O)CC(F)(F)C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000584358156 448498631 /nfs/dbraw/zinc/49/86/31/448498631.db2.gz KNJVQMAGWLWKLH-OAHLLOKOSA-N 2 1 325.403 1.924 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)N3CC[NH2+]CC3)CC[N@H+]2C2CC2)c1 ZINC000584400209 448511809 /nfs/dbraw/zinc/51/18/09/448511809.db2.gz JTBHZEMZFUDDLJ-QZTJIDSGSA-N 2 1 344.459 1.588 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000578333462 448519297 /nfs/dbraw/zinc/51/92/97/448519297.db2.gz RPFNOIDASNMHAN-HRCADAONSA-N 2 1 326.485 1.031 20 0 EDADMP Cc1[nH]nc2ncc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc12 ZINC000584485472 448545626 /nfs/dbraw/zinc/54/56/26/448545626.db2.gz CBXFNFGWAQZPAL-KDOFPFPSSA-N 2 1 342.491 1.724 20 0 EDADMP Cc1[nH]nc2ncc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc12 ZINC000584485472 448545629 /nfs/dbraw/zinc/54/56/29/448545629.db2.gz CBXFNFGWAQZPAL-KDOFPFPSSA-N 2 1 342.491 1.724 20 0 EDADMP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nnn1Cc1cccnc1 ZINC000573120310 448549651 /nfs/dbraw/zinc/54/96/51/448549651.db2.gz LVHMZSBSDNAOKA-IAGOWNOFSA-N 2 1 326.448 1.543 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573375242 448612403 /nfs/dbraw/zinc/61/24/03/448612403.db2.gz TUIUGMZTQWNWNJ-XDNAFOTISA-N 2 1 331.460 1.520 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573375242 448612410 /nfs/dbraw/zinc/61/24/10/448612410.db2.gz TUIUGMZTQWNWNJ-XDNAFOTISA-N 2 1 331.460 1.520 20 0 EDADMP CCO[C@H]1C[C@@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000584729338 448613378 /nfs/dbraw/zinc/61/33/78/448613378.db2.gz GYYODFLSZBDORU-MAEOIBBWSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccsc1 ZINC000573414172 448618271 /nfs/dbraw/zinc/61/82/71/448618271.db2.gz BLZFCBCGVYGMLW-SWLSCSKDSA-N 2 1 333.461 1.931 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000578608006 448590730 /nfs/dbraw/zinc/59/07/30/448590730.db2.gz YTIFBGACROTKBJ-QLFBSQMISA-N 2 1 326.485 1.173 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000578608006 448590740 /nfs/dbraw/zinc/59/07/40/448590740.db2.gz YTIFBGACROTKBJ-QLFBSQMISA-N 2 1 326.485 1.173 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCc3ccccc3NC2=O)CC12CCOCC2 ZINC000584840362 448651892 /nfs/dbraw/zinc/65/18/92/448651892.db2.gz ZYHFDOSNAZYIEU-NVXWUHKLSA-N 2 1 329.444 1.627 20 0 EDADMP CO[C@@H](C)c1noc(CN2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000567276564 448656423 /nfs/dbraw/zinc/65/64/23/448656423.db2.gz NMPOGQQTNBTSOD-GJZGRUSLSA-N 2 1 337.468 1.284 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCN(S(=O)(=O)CC)CC2)[C@@H](C)C1 ZINC000541768438 448691526 /nfs/dbraw/zinc/69/15/26/448691526.db2.gz OVDXJJKYXDVQJX-HOCLYGCPSA-N 2 1 331.526 1.368 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000528876895 448701378 /nfs/dbraw/zinc/70/13/78/448701378.db2.gz ZAUTZMRZBAXRCX-HNNXBMFYSA-N 2 1 328.420 1.366 20 0 EDADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000518400332 448676406 /nfs/dbraw/zinc/67/64/06/448676406.db2.gz FVOZYMNDWKGZGV-ZWKOTPCHSA-N 2 1 344.503 1.655 20 0 EDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000518400332 448676413 /nfs/dbraw/zinc/67/64/13/448676413.db2.gz FVOZYMNDWKGZGV-ZWKOTPCHSA-N 2 1 344.503 1.655 20 0 EDADMP Cn1[nH]c(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nc1=O ZINC000541582160 448681385 /nfs/dbraw/zinc/68/13/85/448681385.db2.gz LCIAKPYNYALCTC-UHFFFAOYSA-N 2 1 330.436 1.242 20 0 EDADMP COc1cccc([C@@H](CNC[C@H](O)C[N@@H+](C)C2CC2)[NH+]2CCCC2)c1 ZINC000567679698 448735703 /nfs/dbraw/zinc/73/57/03/448735703.db2.gz CPJSUHNLLQWOHU-AZUAARDMSA-N 2 1 347.503 1.877 20 0 EDADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000573971286 448760660 /nfs/dbraw/zinc/76/06/60/448760660.db2.gz RZVAOCURWWDBIH-XOKHGSTOSA-N 2 1 329.448 1.363 20 0 EDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000573971286 448760668 /nfs/dbraw/zinc/76/06/68/448760668.db2.gz RZVAOCURWWDBIH-XOKHGSTOSA-N 2 1 329.448 1.363 20 0 EDADMP C[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)C[NH+]1CCOCC1 ZINC000519627538 448804066 /nfs/dbraw/zinc/80/40/66/448804066.db2.gz MAOLADXKDWVHMK-OAHLLOKOSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC(=O)N(C)C2=O)CC1 ZINC000519641558 448809211 /nfs/dbraw/zinc/80/92/11/448809211.db2.gz UMKCXQTVCSATHD-CRAIPNDOSA-N 2 1 343.471 1.819 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000519584545 448790897 /nfs/dbraw/zinc/79/08/97/448790897.db2.gz MJAPKIKSOOKCDW-ICSRJNTNSA-N 2 1 345.487 1.565 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000519584545 448790902 /nfs/dbraw/zinc/79/09/02/448790902.db2.gz MJAPKIKSOOKCDW-ICSRJNTNSA-N 2 1 345.487 1.565 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000519584545 448790908 /nfs/dbraw/zinc/79/09/08/448790908.db2.gz MJAPKIKSOOKCDW-ICSRJNTNSA-N 2 1 345.487 1.565 20 0 EDADMP C[N@@H+](CCN1CC[NH+](CC[C@@H]2CCNC2=O)CC1)Cc1ccccc1 ZINC000568169155 448828094 /nfs/dbraw/zinc/82/80/94/448828094.db2.gz CTJGOBURLPHPBD-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000574452490 448877550 /nfs/dbraw/zinc/87/75/50/448877550.db2.gz ACOBTMIMOCIANP-CVEARBPZSA-N 2 1 342.505 1.308 20 0 EDADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000574452492 448877594 /nfs/dbraw/zinc/87/75/94/448877594.db2.gz ACOBTMIMOCIANP-HZPDHXFCSA-N 2 1 342.505 1.308 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@H+](C3CCOCC3)C[C@H]1C)CC2 ZINC000569011148 448952291 /nfs/dbraw/zinc/95/22/91/448952291.db2.gz ZHDDPZHYSSKOMA-ZBFHGGJFSA-N 2 1 346.475 1.466 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@@H+](C3CCOCC3)C[C@H]1C)CC2 ZINC000569011148 448952298 /nfs/dbraw/zinc/95/22/98/448952298.db2.gz ZHDDPZHYSSKOMA-ZBFHGGJFSA-N 2 1 346.475 1.466 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569123942 448966853 /nfs/dbraw/zinc/96/68/53/448966853.db2.gz QRTPZHOISXUBJO-ZMMAXQRCSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569123942 448966858 /nfs/dbraw/zinc/96/68/58/448966858.db2.gz QRTPZHOISXUBJO-ZMMAXQRCSA-N 2 1 337.508 1.722 20 0 EDADMP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc4nc[nH]c4c3)ccn2)CC1 ZINC000520950779 448941010 /nfs/dbraw/zinc/94/10/10/448941010.db2.gz GRYORTJYGGORQU-UHFFFAOYSA-N 2 1 336.443 2.000 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC000592885263 449036343 /nfs/dbraw/zinc/03/63/43/449036343.db2.gz NPENOETYOBUWGS-SFHVURJKSA-N 2 1 346.475 1.084 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC000592885263 449036350 /nfs/dbraw/zinc/03/63/50/449036350.db2.gz NPENOETYOBUWGS-SFHVURJKSA-N 2 1 346.475 1.084 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CN1c1ccccc1F ZINC000582354383 449071645 /nfs/dbraw/zinc/07/16/45/449071645.db2.gz BRCBBKFCXPSCAC-NXNVCVFFSA-N 2 1 347.434 1.678 20 0 EDADMP O=C(NCc1ccccc1-n1ccnc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522305334 449075196 /nfs/dbraw/zinc/07/51/96/449075196.db2.gz GCELKRXOFQNMCS-HNNXBMFYSA-N 2 1 325.416 1.908 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)C[C@H](C)O)CC2)CC1 ZINC000582310803 449064391 /nfs/dbraw/zinc/06/43/91/449064391.db2.gz UBSIYTZSZWMIIU-CABCVRRESA-N 2 1 325.497 1.458 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(CO)ccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000530225100 449087553 /nfs/dbraw/zinc/08/75/53/449087553.db2.gz WOLJUYXPXFALBQ-MAUKXSAKSA-N 2 1 349.450 1.398 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000593733358 449167953 /nfs/dbraw/zinc/16/79/53/449167953.db2.gz LUVYVJYJSYQCEX-CJNGLKHVSA-N 2 1 348.447 1.793 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000593733358 449167959 /nfs/dbraw/zinc/16/79/59/449167959.db2.gz LUVYVJYJSYQCEX-CJNGLKHVSA-N 2 1 348.447 1.793 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+](C)C)[C@@H](C)C1 ZINC000604631129 449265774 /nfs/dbraw/zinc/26/57/74/449265774.db2.gz IOGWOCWBIWOUPV-JKSUJKDBSA-N 2 1 328.501 1.374 20 0 EDADMP C[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000590845186 449318011 /nfs/dbraw/zinc/31/80/11/449318011.db2.gz DDXZEEPJGNTFEU-SFHVURJKSA-N 2 1 332.492 1.802 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000590965885 449362477 /nfs/dbraw/zinc/36/24/77/449362477.db2.gz FMWFDLKJAKMLKT-HPFXQQBRSA-N 2 1 339.524 1.967 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000590965885 449362482 /nfs/dbraw/zinc/36/24/82/449362482.db2.gz FMWFDLKJAKMLKT-HPFXQQBRSA-N 2 1 339.524 1.967 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000606633195 449493988 /nfs/dbraw/zinc/49/39/88/449493988.db2.gz JOWWIMHMZRATOX-OAHLLOKOSA-N 2 1 339.528 1.042 20 0 EDADMP CCOC(=O)CCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000602438135 449586668 /nfs/dbraw/zinc/58/66/68/449586668.db2.gz BWAKHQZWYFQAQD-UHFFFAOYSA-N 2 1 347.459 1.439 20 0 EDADMP Cc1noc(Cl)c1CCC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504761 449650536 /nfs/dbraw/zinc/65/05/36/449650536.db2.gz JMRAHVAJZRKVSV-LBPRGKRZSA-N 2 1 344.887 1.957 20 0 EDADMP Cc1noc(Cl)c1CCC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504761 449650539 /nfs/dbraw/zinc/65/05/39/449650539.db2.gz JMRAHVAJZRKVSV-LBPRGKRZSA-N 2 1 344.887 1.957 20 0 EDADMP Cc1cn2ccnc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c2n1 ZINC000617507119 449655924 /nfs/dbraw/zinc/65/59/24/449655924.db2.gz IYJZWFXNXQIRJG-ZDUSSCGKSA-N 2 1 332.452 1.040 20 0 EDADMP Cc1cn2ccnc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c2n1 ZINC000617507119 449655930 /nfs/dbraw/zinc/65/59/30/449655930.db2.gz IYJZWFXNXQIRJG-ZDUSSCGKSA-N 2 1 332.452 1.040 20 0 EDADMP COC(=O)c1csc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000602544063 449665481 /nfs/dbraw/zinc/66/54/81/449665481.db2.gz IMZLDBLOIZBLEK-UHFFFAOYSA-N 2 1 339.505 1.898 20 0 EDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602498051 449632003 /nfs/dbraw/zinc/63/20/03/449632003.db2.gz COUBXFHELITGPD-QHCPKHFHSA-N 2 1 343.537 1.210 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)CC[N@H+]1C ZINC000617696820 449740608 /nfs/dbraw/zinc/74/06/08/449740608.db2.gz OZTPEXSYXKSQHG-FHLIZLRMSA-N 2 1 331.460 1.210 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC[NH+]1C ZINC000617696820 449740618 /nfs/dbraw/zinc/74/06/18/449740618.db2.gz OZTPEXSYXKSQHG-FHLIZLRMSA-N 2 1 331.460 1.210 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC[NH+]1C ZINC000617696820 449740624 /nfs/dbraw/zinc/74/06/24/449740624.db2.gz OZTPEXSYXKSQHG-FHLIZLRMSA-N 2 1 331.460 1.210 20 0 EDADMP Cc1cc(N2CCC[C@@H]([NH2+]C[C@H]3CNc4ccnn4C3)C2)nc(C)[nH+]1 ZINC000595143396 449899229 /nfs/dbraw/zinc/89/92/29/449899229.db2.gz CQEMJHBGQPOAGK-JKSUJKDBSA-N 2 1 341.463 1.590 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000609133430 449962965 /nfs/dbraw/zinc/96/29/65/449962965.db2.gz CNCOCXNRNLCIHB-OAHLLOKOSA-N 2 1 340.512 1.909 20 0 EDADMP C[C@H](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@@H]1CCCO1 ZINC000613005118 449979746 /nfs/dbraw/zinc/97/97/46/449979746.db2.gz KMHPHJKMFWHTPP-BBCBXFPWSA-N 2 1 349.519 1.961 20 0 EDADMP COC(=O)CCN1CC[C@H]([NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1=O ZINC000595309361 450021644 /nfs/dbraw/zinc/02/16/44/450021644.db2.gz RPOMRFCDXZQZQA-INIZCTEOSA-N 2 1 339.480 1.203 20 0 EDADMP C[NH+](C)CC1(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)CCCCC1 ZINC000615270185 450034581 /nfs/dbraw/zinc/03/45/81/450034581.db2.gz PCQPICVYHLXNEW-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000615308924 450056770 /nfs/dbraw/zinc/05/67/70/450056770.db2.gz OWEKTFHTZSPRSN-QFBILLFUSA-N 2 1 344.503 1.599 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@@H](C(=O)OC)C[C@@H]2C)CC1 ZINC000599689249 450154654 /nfs/dbraw/zinc/15/46/54/450154654.db2.gz HZTFPRBLVHIESK-QDMKHBRRSA-N 2 1 339.480 1.249 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)C[C@@H](C(=O)OC)C[C@@H]2C)CC1 ZINC000599689249 450154659 /nfs/dbraw/zinc/15/46/59/450154659.db2.gz HZTFPRBLVHIESK-QDMKHBRRSA-N 2 1 339.480 1.249 20 0 EDADMP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000618354537 450169835 /nfs/dbraw/zinc/16/98/35/450169835.db2.gz CGNZWWKRBZBCLH-QZTJIDSGSA-N 2 1 331.460 1.092 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000618354537 450169838 /nfs/dbraw/zinc/16/98/38/450169838.db2.gz CGNZWWKRBZBCLH-QZTJIDSGSA-N 2 1 331.460 1.092 20 0 EDADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000618354537 450169845 /nfs/dbraw/zinc/16/98/45/450169845.db2.gz CGNZWWKRBZBCLH-QZTJIDSGSA-N 2 1 331.460 1.092 20 0 EDADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000618354537 450169850 /nfs/dbraw/zinc/16/98/50/450169850.db2.gz CGNZWWKRBZBCLH-QZTJIDSGSA-N 2 1 331.460 1.092 20 0 EDADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000603735464 450345561 /nfs/dbraw/zinc/34/55/61/450345561.db2.gz CECOTIFNEORDPV-ZWKOTPCHSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000603735464 450345563 /nfs/dbraw/zinc/34/55/63/450345563.db2.gz CECOTIFNEORDPV-ZWKOTPCHSA-N 2 1 336.524 1.347 20 0 EDADMP Cn1cc(CCN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nn1 ZINC000625425009 450353196 /nfs/dbraw/zinc/35/31/96/450353196.db2.gz ZLWHQGGXAWZKAU-LJQANCHMSA-N 2 1 325.460 1.956 20 0 EDADMP Cn1cc(CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000625425009 450353210 /nfs/dbraw/zinc/35/32/10/450353210.db2.gz ZLWHQGGXAWZKAU-LJQANCHMSA-N 2 1 325.460 1.956 20 0 EDADMP Cn1cc(CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nn1 ZINC000625425009 450353212 /nfs/dbraw/zinc/35/32/12/450353212.db2.gz ZLWHQGGXAWZKAU-LJQANCHMSA-N 2 1 325.460 1.956 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2n[nH]c3ccccc32)CC1 ZINC000620244216 450458219 /nfs/dbraw/zinc/45/82/19/450458219.db2.gz RZMCWEQYMPTMKF-UHFFFAOYSA-N 2 1 336.399 1.962 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)CC1(C)C ZINC000623342468 450501119 /nfs/dbraw/zinc/50/11/19/450501119.db2.gz BIQHXRBHLPHLOD-CQSZACIVSA-N 2 1 336.480 1.704 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1(C)C ZINC000623415816 450518649 /nfs/dbraw/zinc/51/86/49/450518649.db2.gz YJNSQRBQRQFRSF-LSDHHAIUSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000623722845 450572633 /nfs/dbraw/zinc/57/26/33/450572633.db2.gz XUVWRALQPCIIID-NVXWUHKLSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000623722845 450572635 /nfs/dbraw/zinc/57/26/35/450572635.db2.gz XUVWRALQPCIIID-NVXWUHKLSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)CC1(C)C ZINC000623783309 450583520 /nfs/dbraw/zinc/58/35/20/450583520.db2.gz JFHYCRYJZSJYBW-MSOLQXFVSA-N 2 1 332.492 1.745 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631576578 450663210 /nfs/dbraw/zinc/66/32/10/450663210.db2.gz BRXMUWDHPNJJES-QZWWFDLISA-N 2 1 335.492 1.511 20 0 EDADMP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631583609 450666093 /nfs/dbraw/zinc/66/60/93/450666093.db2.gz ZIQNBPWKDYLFPU-OKYOBFRVSA-N 2 1 349.519 1.330 20 0 EDADMP Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(N2CCOCC2)c1 ZINC000629562606 450737731 /nfs/dbraw/zinc/73/77/31/450737731.db2.gz DSHFDRSGWODTIS-GOSISDBHSA-N 2 1 333.476 1.378 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000621487029 450742110 /nfs/dbraw/zinc/74/21/10/450742110.db2.gz NLAXTZUEWJSCSJ-HUUCEWRRSA-N 2 1 338.521 1.526 20 0 EDADMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000629579313 450746360 /nfs/dbraw/zinc/74/63/60/450746360.db2.gz RLSRWWOETRWDHV-UHFFFAOYSA-N 2 1 349.475 1.101 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000629579313 450746363 /nfs/dbraw/zinc/74/63/63/450746363.db2.gz RLSRWWOETRWDHV-UHFFFAOYSA-N 2 1 349.475 1.101 20 0 EDADMP C[N@@H+](CCOCC[NH3+])Cc1cnc2ccc(Br)cn12 ZINC000629663074 450774694 /nfs/dbraw/zinc/77/46/94/450774694.db2.gz JOBIDXXUHWOJJK-UHFFFAOYSA-N 2 1 327.226 1.504 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000631840569 450809041 /nfs/dbraw/zinc/80/90/41/450809041.db2.gz UDBLMWMYAJPVQF-QLFBSQMISA-N 2 1 349.475 1.716 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000631840569 450809046 /nfs/dbraw/zinc/80/90/46/450809046.db2.gz UDBLMWMYAJPVQF-QLFBSQMISA-N 2 1 349.475 1.716 20 0 EDADMP C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000635299480 450825889 /nfs/dbraw/zinc/82/58/89/450825889.db2.gz GILJXWQWVGSENA-HOTGVXAUSA-N 2 1 325.497 1.581 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000631827116 450799244 /nfs/dbraw/zinc/79/92/44/450799244.db2.gz FRZYXNKYZYDXHY-SOLBZPMBSA-N 2 1 345.487 1.940 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@H](C[NH3+])Cc3ccccc32)CC1 ZINC000631893754 450853171 /nfs/dbraw/zinc/85/31/71/450853171.db2.gz ZCERMMYBFJCQCJ-CVEARBPZSA-N 2 1 330.476 1.177 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000629948477 450908992 /nfs/dbraw/zinc/90/89/92/450908992.db2.gz IRAXTXREFOHROP-UHFFFAOYSA-N 2 1 344.503 1.535 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2)CC1 ZINC000629948477 450908998 /nfs/dbraw/zinc/90/89/98/450908998.db2.gz IRAXTXREFOHROP-UHFFFAOYSA-N 2 1 344.503 1.535 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cc2)CC1 ZINC000629948477 450909004 /nfs/dbraw/zinc/90/90/04/450909004.db2.gz IRAXTXREFOHROP-UHFFFAOYSA-N 2 1 344.503 1.535 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC([N@@H+]3CCCOCC3)CC1)CC2 ZINC000627741708 450911811 /nfs/dbraw/zinc/91/18/11/450911811.db2.gz RYWGBWMRHYVBQD-INIZCTEOSA-N 2 1 346.475 1.467 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC([N@H+]3CCCOCC3)CC1)CC2 ZINC000627741708 450911818 /nfs/dbraw/zinc/91/18/18/450911818.db2.gz RYWGBWMRHYVBQD-INIZCTEOSA-N 2 1 346.475 1.467 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000635408779 450915585 /nfs/dbraw/zinc/91/55/85/450915585.db2.gz OQBBIKKFYLFTKK-RDJZCZTQSA-N 2 1 344.459 1.417 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000635408779 450915591 /nfs/dbraw/zinc/91/55/91/450915591.db2.gz OQBBIKKFYLFTKK-RDJZCZTQSA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000635408779 450915594 /nfs/dbraw/zinc/91/55/94/450915594.db2.gz OQBBIKKFYLFTKK-RDJZCZTQSA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000635408779 450915599 /nfs/dbraw/zinc/91/55/99/450915599.db2.gz OQBBIKKFYLFTKK-RDJZCZTQSA-N 2 1 344.459 1.417 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](C)C1 ZINC000629961294 450919235 /nfs/dbraw/zinc/91/92/35/450919235.db2.gz KTCLRWMGWULISV-RDJZCZTQSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC000629961294 450919238 /nfs/dbraw/zinc/91/92/38/450919238.db2.gz KTCLRWMGWULISV-RDJZCZTQSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC000629961294 450919244 /nfs/dbraw/zinc/91/92/44/450919244.db2.gz KTCLRWMGWULISV-RDJZCZTQSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C[N@@H+](C)C3CCC3)nc2)C1 ZINC000629974778 450929178 /nfs/dbraw/zinc/92/91/78/450929178.db2.gz NBOBJOVVNBDDRO-INIZCTEOSA-N 2 1 331.464 1.645 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)CC[N@H+]1C ZINC000632010711 450964325 /nfs/dbraw/zinc/96/43/25/450964325.db2.gz DIJIWWAYWVCRHT-YESZJQIVSA-N 2 1 345.491 1.891 20 0 EDADMP O=C(NC1CC([NH+]2CCOCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000627940300 451037255 /nfs/dbraw/zinc/03/72/55/451037255.db2.gz CZTCBBNYKNYRTC-VJFUWPCTSA-N 2 1 335.492 1.763 20 0 EDADMP O=C(NC1CC([NH+]2CCOCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000627940300 451037261 /nfs/dbraw/zinc/03/72/61/451037261.db2.gz CZTCBBNYKNYRTC-VJFUWPCTSA-N 2 1 335.492 1.763 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000626964904 451038215 /nfs/dbraw/zinc/03/82/15/451038215.db2.gz LLAYAVIIDMLDFD-WCQYABFASA-N 2 1 336.402 1.639 20 0 EDADMP CCN(CC[NH3+])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000626971541 451042080 /nfs/dbraw/zinc/04/20/80/451042080.db2.gz LEZAQOUHTBEPKY-UHFFFAOYSA-N 2 1 340.512 1.790 20 0 EDADMP O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC[NH+](CCCF)CC1 ZINC000627962592 451054755 /nfs/dbraw/zinc/05/47/55/451054755.db2.gz VWFUFDLMLGSSOC-INIZCTEOSA-N 2 1 343.512 1.708 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000626996867 451063507 /nfs/dbraw/zinc/06/35/07/451063507.db2.gz HGIVZZXXKBGCAU-UHXUPSOCSA-N 2 1 348.413 1.780 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000635570776 451069119 /nfs/dbraw/zinc/06/91/19/451069119.db2.gz LXKZRYKXFARWIX-KRWDZBQOSA-N 2 1 334.508 1.101 20 0 EDADMP Cc1ccc(CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c(N2CCCC2)[nH+]1 ZINC000627012125 451076897 /nfs/dbraw/zinc/07/68/97/451076897.db2.gz REIFDZUWMUIXFA-XJKSGUPXSA-N 2 1 331.464 1.930 20 0 EDADMP CCn1nc(C)cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000624887061 451047063 /nfs/dbraw/zinc/04/70/63/451047063.db2.gz KILRMJWNPLZYIM-UHFFFAOYSA-N 2 1 328.420 1.611 20 0 EDADMP C[C@H]1CC[C@@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C[NH2+]1 ZINC000627117797 451133687 /nfs/dbraw/zinc/13/36/87/451133687.db2.gz XHOFURHBWLOMCJ-ZJIFWQFVSA-N 2 1 336.480 1.070 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000627167677 451161084 /nfs/dbraw/zinc/16/10/84/451161084.db2.gz KOSYYGZHQYKFFH-ZOFXXKQRSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625116648 451171961 /nfs/dbraw/zinc/17/19/61/451171961.db2.gz AKOKDVOVOXTUFG-ROUUACIJSA-N 2 1 339.524 1.672 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627212343 451190065 /nfs/dbraw/zinc/19/00/65/451190065.db2.gz MEWOVVPTBDJXLN-IRXDYDNUSA-N 2 1 340.512 1.648 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638085384 451250140 /nfs/dbraw/zinc/25/01/40/451250140.db2.gz KKCXCSNLUIOIIZ-AOIWGVFYSA-N 2 1 337.508 1.855 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000638098336 451262344 /nfs/dbraw/zinc/26/23/44/451262344.db2.gz BTYIKHBICZTFCM-FXAWDEMLSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000638098336 451262352 /nfs/dbraw/zinc/26/23/52/451262352.db2.gz BTYIKHBICZTFCM-FXAWDEMLSA-N 2 1 345.487 1.876 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638110821 451278731 /nfs/dbraw/zinc/27/87/31/451278731.db2.gz IRRRSZFFHUHJRK-AZUAARDMSA-N 2 1 345.487 1.722 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000638113391 451280779 /nfs/dbraw/zinc/28/07/79/451280779.db2.gz SQYAIEMXHVQMHG-NRSFXHEJSA-N 2 1 331.460 1.614 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)CCC2C[NH2+]C2)c2cccs2)CC1 ZINC000638135168 451308934 /nfs/dbraw/zinc/30/89/34/451308934.db2.gz RDECBUNWWSQGCO-OAHLLOKOSA-N 2 1 336.505 1.152 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635871599 451318743 /nfs/dbraw/zinc/31/87/43/451318743.db2.gz GHUVWLCCWQURKX-HNNXBMFYSA-N 2 1 325.497 1.581 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000640444914 451321748 /nfs/dbraw/zinc/32/17/48/451321748.db2.gz OHPAPSFBXBLTQG-KGLIPLIRSA-N 2 1 334.468 1.706 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638147990 451321843 /nfs/dbraw/zinc/32/18/43/451321843.db2.gz YZDLNCLZVYQYOO-WMZOPIPTSA-N 3 1 344.503 1.566 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000638172320 451335145 /nfs/dbraw/zinc/33/51/45/451335145.db2.gz ZCQSDEGVPKFINK-LJQANCHMSA-N 2 1 340.471 1.433 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000638265496 451386797 /nfs/dbraw/zinc/38/67/97/451386797.db2.gz COSVQEVXXYXNEK-UONOGXRCSA-N 2 1 329.366 1.904 20 0 EDADMP CCc1c[nH]c(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)n1 ZINC000635970483 451405798 /nfs/dbraw/zinc/40/57/98/451405798.db2.gz FVNWZPLIECYOIT-XYPWUTKMSA-N 2 1 334.464 1.615 20 0 EDADMP C[NH+](C)Cc1ccnc(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000640574737 451419076 /nfs/dbraw/zinc/41/90/76/451419076.db2.gz HNERPDIGQMISBA-OAHLLOKOSA-N 2 1 335.452 1.112 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC000638307449 451421499 /nfs/dbraw/zinc/42/14/99/451421499.db2.gz FAFRJIHBRWCLIL-HKUYNNGSSA-N 2 1 327.472 1.818 20 0 EDADMP O[C@]1(C[NH2+][C@@H]2CCc3c[nH]nc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634707493 451485517 /nfs/dbraw/zinc/48/55/17/451485517.db2.gz GXVWANXKOAVBAZ-MJGOQNOKSA-N 2 1 326.444 1.494 20 0 EDADMP O[C@]1(C[NH2+][C@@H]2CCc3c[nH]nc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634707493 451485521 /nfs/dbraw/zinc/48/55/21/451485521.db2.gz GXVWANXKOAVBAZ-MJGOQNOKSA-N 2 1 326.444 1.494 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000638399576 451487888 /nfs/dbraw/zinc/48/78/88/451487888.db2.gz IXIVCZDDIAGBBD-RCCFBDPRSA-N 2 1 331.460 1.698 20 0 EDADMP O[C@]1(C[NH2+]CCO[C@@H]2CC2(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634649506 451443312 /nfs/dbraw/zinc/44/33/12/451443312.db2.gz OVWOSCITLLOLCD-CVEARBPZSA-N 2 1 326.387 1.637 20 0 EDADMP O[C@]1(C[NH2+]CCO[C@@H]2CC2(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649506 451443319 /nfs/dbraw/zinc/44/33/19/451443319.db2.gz OVWOSCITLLOLCD-CVEARBPZSA-N 2 1 326.387 1.637 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000636026765 451447458 /nfs/dbraw/zinc/44/74/58/451447458.db2.gz RGVOCNLPZJWVII-SFHVURJKSA-N 2 1 345.487 1.472 20 0 EDADMP OC[C@@H](Cc1ccncc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720248 451499706 /nfs/dbraw/zinc/49/97/06/451499706.db2.gz HGWIBHPNZLUGDQ-WOJBJXKFSA-N 2 1 341.455 1.212 20 0 EDADMP OC[C@@H](Cc1ccncc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720248 451499710 /nfs/dbraw/zinc/49/97/10/451499710.db2.gz HGWIBHPNZLUGDQ-WOJBJXKFSA-N 2 1 341.455 1.212 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C)n2C ZINC000636090913 451509674 /nfs/dbraw/zinc/50/96/74/451509674.db2.gz NEURCSSLOONNLU-UONOGXRCSA-N 2 1 344.463 1.493 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CC[N@H+](C4CC4)C3)cn2)CC1 ZINC000636789671 451510706 /nfs/dbraw/zinc/51/07/06/451510706.db2.gz IVLXMVLWXLNLBL-ZDUSSCGKSA-N 2 1 332.452 1.508 20 0 EDADMP CO[C@@H](C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)Cc1ccccc1 ZINC000638482214 451535948 /nfs/dbraw/zinc/53/59/48/451535948.db2.gz OSLFLMSZNJPPQD-RTBURBONSA-N 2 1 347.503 1.776 20 0 EDADMP CO[C@@H](C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)Cc1ccccc1 ZINC000638482214 451535953 /nfs/dbraw/zinc/53/59/53/451535953.db2.gz OSLFLMSZNJPPQD-RTBURBONSA-N 2 1 347.503 1.776 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)C1 ZINC000636171067 451561035 /nfs/dbraw/zinc/56/10/35/451561035.db2.gz FCNZATBNNAJGHV-QZTJIDSGSA-N 2 1 331.460 1.211 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000636171067 451561039 /nfs/dbraw/zinc/56/10/39/451561039.db2.gz FCNZATBNNAJGHV-QZTJIDSGSA-N 2 1 331.460 1.211 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000636171067 451561043 /nfs/dbraw/zinc/56/10/43/451561043.db2.gz FCNZATBNNAJGHV-QZTJIDSGSA-N 2 1 331.460 1.211 20 0 EDADMP Cc1ccccc1NC(=O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640762272 451562182 /nfs/dbraw/zinc/56/21/82/451562182.db2.gz YZOPIJHHKKRQFC-UHFFFAOYSA-N 2 1 342.447 1.191 20 0 EDADMP [NH3+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCOCC1 ZINC000638541847 451568718 /nfs/dbraw/zinc/56/87/18/451568718.db2.gz YFIWQZTVUCMEPR-INIZCTEOSA-N 2 1 335.423 1.414 20 0 EDADMP [NH3+]C1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCOCC1 ZINC000638541847 451568724 /nfs/dbraw/zinc/56/87/24/451568724.db2.gz YFIWQZTVUCMEPR-INIZCTEOSA-N 2 1 335.423 1.414 20 0 EDADMP CC(C)O[C@H](C[NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000638551405 451573276 /nfs/dbraw/zinc/57/32/76/451573276.db2.gz NDZXOKIONQKFEH-GOSISDBHSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](CC)CCOc1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000629176166 451581902 /nfs/dbraw/zinc/58/19/02/451581902.db2.gz QXDOQIUVZZLORZ-QGZVFWFLSA-N 2 1 349.475 1.204 20 0 EDADMP Cc1ccc(C)c(OCCn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000640796695 451588816 /nfs/dbraw/zinc/58/88/16/451588816.db2.gz DZXXARALYWNRJY-UHFFFAOYSA-N 2 1 343.475 1.940 20 0 EDADMP c1ccc2c(c1)CC[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)C2 ZINC000638598868 451597139 /nfs/dbraw/zinc/59/71/39/451597139.db2.gz LQZWPUALICKHMU-WIYYLYMNSA-N 2 1 343.515 1.788 20 0 EDADMP CCCCNc1cc(C)[nH+]c(N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000631130162 451600029 /nfs/dbraw/zinc/60/00/29/451600029.db2.gz FBTVWBFGIBPFQE-MRXNPFEDSA-N 2 1 333.480 2.156 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638565281 451580005 /nfs/dbraw/zinc/58/00/05/451580005.db2.gz YVJLGWRWYSDDRB-VXGBXAGGSA-N 2 1 332.370 1.992 20 0 EDADMP CN(CCOCC[NH3+])C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000638676653 451646923 /nfs/dbraw/zinc/64/69/23/451646923.db2.gz ZOECYDAYVCZOSE-MRXNPFEDSA-N 2 1 337.439 1.471 20 0 EDADMP [NH3+][C@@H](C(=O)NCc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1F ZINC000638846876 451709395 /nfs/dbraw/zinc/70/93/95/451709395.db2.gz IGAJRFINVXKCLZ-QGZVFWFLSA-N 2 1 331.366 1.927 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]([NH3+])C[C@H]3C)cc2F)CC1 ZINC000638933382 451739260 /nfs/dbraw/zinc/73/92/60/451739260.db2.gz BUCUNYUSWRKKGC-HIFRSBDPSA-N 2 1 334.439 1.529 20 0 EDADMP C[N@@H+](CC(C)(C)N1CCOCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639173198 451785077 /nfs/dbraw/zinc/78/50/77/451785077.db2.gz WJTDWKKGLCSDMK-SFHVURJKSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000637369301 451802650 /nfs/dbraw/zinc/80/26/50/451802650.db2.gz XTPULAZWICTAPO-WBVHZDCISA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000637369301 451802653 /nfs/dbraw/zinc/80/26/53/451802653.db2.gz XTPULAZWICTAPO-WBVHZDCISA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000637369301 451802656 /nfs/dbraw/zinc/80/26/56/451802656.db2.gz XTPULAZWICTAPO-WBVHZDCISA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000637369301 451802658 /nfs/dbraw/zinc/80/26/58/451802658.db2.gz XTPULAZWICTAPO-WBVHZDCISA-N 2 1 338.496 1.101 20 0 EDADMP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000644523974 451840257 /nfs/dbraw/zinc/84/02/57/451840257.db2.gz DYJAXUKHEGODRQ-OKZBNKHCSA-N 2 1 332.444 1.845 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000637385385 451815478 /nfs/dbraw/zinc/81/54/78/451815478.db2.gz AOWTWDJJLKIXRZ-NVXWUHKLSA-N 2 1 348.491 1.909 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000637385385 451815483 /nfs/dbraw/zinc/81/54/83/451815483.db2.gz AOWTWDJJLKIXRZ-NVXWUHKLSA-N 2 1 348.491 1.909 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC(=O)N1CCCCCC1 ZINC000644534007 451847389 /nfs/dbraw/zinc/84/73/89/451847389.db2.gz ZMQJEWUKSJEJFG-LJQANCHMSA-N 2 1 347.503 1.862 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC(=O)N1CCCCCC1 ZINC000644534007 451847396 /nfs/dbraw/zinc/84/73/96/451847396.db2.gz ZMQJEWUKSJEJFG-LJQANCHMSA-N 2 1 347.503 1.862 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646807704 451854441 /nfs/dbraw/zinc/85/44/41/451854441.db2.gz PXITZKPNEFKRJG-RTBURBONSA-N 2 1 344.503 1.228 20 0 EDADMP CC[C@@H](CNC(=O)COC1(C)C[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000649292976 451969191 /nfs/dbraw/zinc/96/91/91/451969191.db2.gz RLZPROYAAFNRSX-KRWDZBQOSA-N 2 1 331.460 1.318 20 0 EDADMP COC[C@@]1(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000649295559 451970632 /nfs/dbraw/zinc/97/06/32/451970632.db2.gz ZUXMAKRYJCUUPF-SOLBZPMBSA-N 2 1 325.497 1.629 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000649294856 451971599 /nfs/dbraw/zinc/97/15/99/451971599.db2.gz KBILSYWCRMDXJK-HZPDHXFCSA-N 2 1 338.496 1.097 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653476634 451974027 /nfs/dbraw/zinc/97/40/27/451974027.db2.gz NSQQGIAGNNBDQS-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653476634 451974035 /nfs/dbraw/zinc/97/40/35/451974035.db2.gz NSQQGIAGNNBDQS-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP COC[C@]1(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CCC[NH2+]1 ZINC000649304209 451979454 /nfs/dbraw/zinc/97/94/54/451979454.db2.gz PARGDSOGUGJUQV-IBGZPJMESA-N 2 1 347.459 1.268 20 0 EDADMP C[N@H+]1CC[C@](N)(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000649307963 451985158 /nfs/dbraw/zinc/98/51/58/451985158.db2.gz ZWCSBRQQZBGWOP-LJQANCHMSA-N 2 1 330.476 1.048 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000649307355 451985213 /nfs/dbraw/zinc/98/52/13/451985213.db2.gz KNDWYQITGLVSEJ-KBPBESRZSA-N 2 1 334.468 1.053 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000649345593 452027201 /nfs/dbraw/zinc/02/72/01/452027201.db2.gz GPIPGRXSDWIROD-BZUAXINKSA-N 2 1 346.479 1.292 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649348723 452031388 /nfs/dbraw/zinc/03/13/88/452031388.db2.gz SXJWDZSRTXNWFZ-KZNAEPCWSA-N 2 1 331.460 1.534 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649348723 452031396 /nfs/dbraw/zinc/03/13/96/452031396.db2.gz SXJWDZSRTXNWFZ-KZNAEPCWSA-N 2 1 331.460 1.534 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000649350099 452034146 /nfs/dbraw/zinc/03/41/46/452034146.db2.gz FCCUYRIXBKPRHT-MOPGFXCFSA-N 2 1 344.503 1.425 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)CCC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000649351078 452035640 /nfs/dbraw/zinc/03/56/40/452035640.db2.gz JCPDYHNUIJVXMK-SFHVURJKSA-N 2 1 346.519 1.999 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)CCC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000649351078 452035649 /nfs/dbraw/zinc/03/56/49/452035649.db2.gz JCPDYHNUIJVXMK-SFHVURJKSA-N 2 1 346.519 1.999 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)CCC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000649351078 452035658 /nfs/dbraw/zinc/03/56/58/452035658.db2.gz JCPDYHNUIJVXMK-SFHVURJKSA-N 2 1 346.519 1.999 20 0 EDADMP CCC[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]CC2)CC[N@H+]1CCOC ZINC000649379195 452051980 /nfs/dbraw/zinc/05/19/80/452051980.db2.gz QXGSCQAKNKWVHJ-IRXDYDNUSA-N 2 1 325.497 1.726 20 0 EDADMP CC[NH+]1CCC([N@@H+]2CCCN(c3ncnc4onc(C)c43)CC2)CC1 ZINC000643197566 452064958 /nfs/dbraw/zinc/06/49/58/452064958.db2.gz VARJTDRBIRMXHL-UHFFFAOYSA-N 2 1 344.463 1.923 20 0 EDADMP CC[NH+]1CCC([N@H+]2CCCN(c3ncnc4onc(C)c43)CC2)CC1 ZINC000643197566 452064963 /nfs/dbraw/zinc/06/49/63/452064963.db2.gz VARJTDRBIRMXHL-UHFFFAOYSA-N 2 1 344.463 1.923 20 0 EDADMP c1nc2c(c(N3CCOCC3)n1)C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000649412059 452075577 /nfs/dbraw/zinc/07/55/77/452075577.db2.gz GNVTYSKHGCWJNX-OAHLLOKOSA-N 2 1 331.464 1.061 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)NCCOc3ccc(F)cc3)C2)CC1 ZINC000639758981 452098155 /nfs/dbraw/zinc/09/81/55/452098155.db2.gz ZCPSPVHLDQOFRG-UHFFFAOYSA-N 2 1 349.450 1.738 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000637841731 452111567 /nfs/dbraw/zinc/11/15/67/452111567.db2.gz MDAUZTNYADSCIB-LJQANCHMSA-N 2 1 338.455 1.730 20 0 EDADMP OC[C@@H]1CCCCC[NH+]1CCOCC[N@@H+]1CCCCC[C@H]1CO ZINC000653783863 452114143 /nfs/dbraw/zinc/11/41/43/452114143.db2.gz VOVVZRMNKDKSRL-ROUUACIJSA-N 2 1 328.497 1.477 20 0 EDADMP CCc1nn(C)cc1C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000643295917 452121934 /nfs/dbraw/zinc/12/19/34/452121934.db2.gz UJJGTXSBMFGXII-UHFFFAOYSA-N 2 1 333.524 1.975 20 0 EDADMP CO[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C(F)(F)F ZINC000649641346 452178757 /nfs/dbraw/zinc/17/87/57/452178757.db2.gz MKCAAGPHNIXRDO-ZDUSSCGKSA-N 2 1 346.353 1.739 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000653955957 452184528 /nfs/dbraw/zinc/18/45/28/452184528.db2.gz WAPMEUOOWOWEOM-NXOAAHMSSA-N 2 1 340.512 1.514 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000653955957 452184530 /nfs/dbraw/zinc/18/45/30/452184530.db2.gz WAPMEUOOWOWEOM-NXOAAHMSSA-N 2 1 340.512 1.514 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000653955957 452184535 /nfs/dbraw/zinc/18/45/35/452184535.db2.gz WAPMEUOOWOWEOM-NXOAAHMSSA-N 2 1 340.512 1.514 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000653955957 452184539 /nfs/dbraw/zinc/18/45/39/452184539.db2.gz WAPMEUOOWOWEOM-NXOAAHMSSA-N 2 1 340.512 1.514 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000641717930 452215981 /nfs/dbraw/zinc/21/59/81/452215981.db2.gz RYZYYXJLDFRQBN-UHFFFAOYSA-N 2 1 331.464 1.632 20 0 EDADMP COc1c(Br)cccc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647492756 452235714 /nfs/dbraw/zinc/23/57/14/452235714.db2.gz XFQZMTQICHKSBC-UHFFFAOYSA-N 2 1 342.281 1.795 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1)[C@@H]1CCC[NH2+]1 ZINC000647509561 452245659 /nfs/dbraw/zinc/24/56/59/452245659.db2.gz OYNKGDHJSDHAPW-WBVHZDCISA-N 2 1 341.459 1.415 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000647517943 452251068 /nfs/dbraw/zinc/25/10/68/452251068.db2.gz WCFAAFKOJMTVLQ-DLBZAZTESA-N 2 1 326.868 1.680 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1ccc(CO)cc1 ZINC000647524481 452259645 /nfs/dbraw/zinc/25/96/45/452259645.db2.gz OLEQVXXCQPBBML-FQEVSTJZSA-N 2 1 328.456 1.804 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1ccc(CO)cc1 ZINC000647524481 452259656 /nfs/dbraw/zinc/25/96/56/452259656.db2.gz OLEQVXXCQPBBML-FQEVSTJZSA-N 2 1 328.456 1.804 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1Cl ZINC000659428177 452270973 /nfs/dbraw/zinc/27/09/73/452270973.db2.gz XTDTXCAXBLLPJG-VXKCQOAXSA-N 2 1 336.867 1.994 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000659436825 452284804 /nfs/dbraw/zinc/28/48/04/452284804.db2.gz ZOHQSRCKBPBVJO-KRWDZBQOSA-N 2 1 347.507 1.101 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641808939 452288013 /nfs/dbraw/zinc/28/80/13/452288013.db2.gz VCNIHXIYKGHLAD-IRXDYDNUSA-N 2 1 349.475 1.768 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659455837 452308460 /nfs/dbraw/zinc/30/84/60/452308460.db2.gz FFJROPWIAXYAJG-KBAYOESNSA-N 2 1 328.460 1.668 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000652122792 452317022 /nfs/dbraw/zinc/31/70/22/452317022.db2.gz LBKIAUVKXKLIKC-GJZGRUSLSA-N 2 1 340.512 1.563 20 0 EDADMP CO[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@](C)(CO)C1 ZINC000640004453 452337712 /nfs/dbraw/zinc/33/77/12/452337712.db2.gz MKVGRMZIKCNWTR-MOPGFXCFSA-N 2 1 334.460 1.491 20 0 EDADMP CO[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@](C)(CO)C1 ZINC000640004453 452337724 /nfs/dbraw/zinc/33/77/24/452337724.db2.gz MKVGRMZIKCNWTR-MOPGFXCFSA-N 2 1 334.460 1.491 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](O)CC12CCC2 ZINC000665764059 452350206 /nfs/dbraw/zinc/35/02/06/452350206.db2.gz SURFMNNJEXQADY-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](O)CC12CCC2 ZINC000665764059 452350212 /nfs/dbraw/zinc/35/02/12/452350212.db2.gz SURFMNNJEXQADY-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C3=CC[C@@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000638062893 452357306 /nfs/dbraw/zinc/35/73/06/452357306.db2.gz JRPRLERODANCPN-ZRGWGRIASA-N 2 1 343.471 1.960 20 0 EDADMP Cc1ncc(CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000640021482 452358317 /nfs/dbraw/zinc/35/83/17/452358317.db2.gz FLXQRVOACVAZGL-XYPWUTKMSA-N 2 1 332.448 1.295 20 0 EDADMP COC[C@]1(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CCCC[NH2+]1 ZINC000638066196 452369490 /nfs/dbraw/zinc/36/94/90/452369490.db2.gz FOWUONGOZYCMGQ-AEFFLSMTSA-N 2 1 325.497 1.773 20 0 EDADMP COCCOCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000649895548 452369625 /nfs/dbraw/zinc/36/96/25/452369625.db2.gz QJKFRNBRLAZRDW-SFHVURJKSA-N 2 1 327.513 1.530 20 0 EDADMP COCCOCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000649895548 452369633 /nfs/dbraw/zinc/36/96/33/452369633.db2.gz QJKFRNBRLAZRDW-SFHVURJKSA-N 2 1 327.513 1.530 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000659509361 452372896 /nfs/dbraw/zinc/37/28/96/452372896.db2.gz ZBJQMSNVIBHZSX-ZWKOTPCHSA-N 2 1 346.475 1.195 20 0 EDADMP [NH3+]C[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCOC1 ZINC000638079140 452392030 /nfs/dbraw/zinc/39/20/30/452392030.db2.gz AZYKCAGMDHTPIA-AZUAARDMSA-N 2 1 345.487 1.770 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654347332 452398553 /nfs/dbraw/zinc/39/85/53/452398553.db2.gz ZBDZZBAFLHNXLT-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654347332 452398559 /nfs/dbraw/zinc/39/85/59/452398559.db2.gz ZBDZZBAFLHNXLT-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659540428 452400071 /nfs/dbraw/zinc/40/00/71/452400071.db2.gz SWVVXHWZOZTSGX-KLHDSHLOSA-N 2 1 336.480 1.199 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652202490 452401022 /nfs/dbraw/zinc/40/10/22/452401022.db2.gz LKJNJOGBVYMGAH-ROUUACIJSA-N 2 1 330.476 1.554 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652202490 452401032 /nfs/dbraw/zinc/40/10/32/452401032.db2.gz LKJNJOGBVYMGAH-ROUUACIJSA-N 2 1 330.476 1.554 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659553669 452409748 /nfs/dbraw/zinc/40/97/48/452409748.db2.gz ALRRQKVRMMITDV-LZLYRXPVSA-N 2 1 347.507 1.228 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659553669 452409756 /nfs/dbraw/zinc/40/97/56/452409756.db2.gz ALRRQKVRMMITDV-LZLYRXPVSA-N 2 1 347.507 1.228 20 0 EDADMP O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654377619 452430000 /nfs/dbraw/zinc/43/00/00/452430000.db2.gz QTUHYJSQKWWCBB-SJORKVTESA-N 2 1 338.496 1.415 20 0 EDADMP O=C(NCCC1CC[NH2+]CC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000652309444 452487434 /nfs/dbraw/zinc/48/74/34/452487434.db2.gz ZQFCRBGYBHPRNO-UHFFFAOYSA-N 2 1 344.503 1.946 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)CN1c1cnc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)cn1 ZINC000663763026 452491745 /nfs/dbraw/zinc/49/17/45/452491745.db2.gz FUJFUWJJIISLQW-GEEKYZPCSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cnc(N2C[C@H](C)[NH+](C)C[C@@H]2C)cn1 ZINC000663763026 452491749 /nfs/dbraw/zinc/49/17/49/452491749.db2.gz FUJFUWJJIISLQW-GEEKYZPCSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cnc(N2C[C@H](C)[NH+](C)C[C@@H]2C)cn1 ZINC000663763026 452491761 /nfs/dbraw/zinc/49/17/61/452491761.db2.gz FUJFUWJJIISLQW-GEEKYZPCSA-N 2 1 332.496 1.534 20 0 EDADMP c1cnn(-c2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccn2)c1 ZINC000655686957 452510411 /nfs/dbraw/zinc/51/04/11/452510411.db2.gz FWICHZQNEOZURU-QGZVFWFLSA-N 2 1 327.432 1.610 20 0 EDADMP COc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346144 452519872 /nfs/dbraw/zinc/51/98/72/452519872.db2.gz UTXXEYQPPZJIHT-DAYGRLMNSA-N 2 1 347.459 1.852 20 0 EDADMP COc1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346144 452519879 /nfs/dbraw/zinc/51/98/79/452519879.db2.gz UTXXEYQPPZJIHT-DAYGRLMNSA-N 2 1 347.459 1.852 20 0 EDADMP CN1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cn2)CC1 ZINC000647787859 452522803 /nfs/dbraw/zinc/52/28/03/452522803.db2.gz AGTLNTWYSGYQSD-KZNAEPCWSA-N 2 1 329.492 1.311 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652352684 452530207 /nfs/dbraw/zinc/53/02/07/452530207.db2.gz MYWHQAGYDJYHIG-NSHGMRRFSA-N 3 1 344.503 1.466 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652352684 452530214 /nfs/dbraw/zinc/53/02/14/452530214.db2.gz MYWHQAGYDJYHIG-NSHGMRRFSA-N 3 1 344.503 1.466 20 0 EDADMP O=C(Cc1cccc(F)c1)NCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655710090 452530157 /nfs/dbraw/zinc/53/01/57/452530157.db2.gz BFCLTFAJJDILJZ-GOSISDBHSA-N 2 1 349.450 1.327 20 0 EDADMP O=C(CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)NCc1ccccc1 ZINC000655713424 452532439 /nfs/dbraw/zinc/53/24/39/452532439.db2.gz MEHFYQFUAAUYBK-IBGZPJMESA-N 2 1 345.487 1.926 20 0 EDADMP CCO[C@@H]1C[N@H+](Cc2cccc(C(=O)NCC(C)C)c2)C[C@H]1C[NH3+] ZINC000652356771 452535625 /nfs/dbraw/zinc/53/56/25/452535625.db2.gz GRUNARKCDIOGGZ-QZTJIDSGSA-N 2 1 333.476 1.868 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2cccc(C(=O)NCC(C)C)c2)C[C@H]1C[NH3+] ZINC000652356771 452535635 /nfs/dbraw/zinc/53/56/35/452535635.db2.gz GRUNARKCDIOGGZ-QZTJIDSGSA-N 2 1 333.476 1.868 20 0 EDADMP NC(=O)c1cccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655724353 452536199 /nfs/dbraw/zinc/53/61/99/452536199.db2.gz BHDLSHQJFZIESW-SFHVURJKSA-N 2 1 331.460 1.561 20 0 EDADMP Cn1c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)nnc1C1CCC1 ZINC000652363916 452545734 /nfs/dbraw/zinc/54/57/34/452545734.db2.gz RVVOEXRTLIDIIA-XHSDSOJGSA-N 2 1 333.480 1.943 20 0 EDADMP Cn1c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)nnc1C1CCC1 ZINC000652363916 452545741 /nfs/dbraw/zinc/54/57/41/452545741.db2.gz RVVOEXRTLIDIIA-XHSDSOJGSA-N 2 1 333.480 1.943 20 0 EDADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655734035 452546891 /nfs/dbraw/zinc/54/68/91/452546891.db2.gz XVNDQRJEJNCDRQ-GBESFXJTSA-N 2 1 337.508 1.207 20 0 EDADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000655734622 452547320 /nfs/dbraw/zinc/54/73/20/452547320.db2.gz KSTZVEIPQSKXGS-QZTJIDSGSA-N 2 1 338.492 1.948 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659681078 452553128 /nfs/dbraw/zinc/55/31/28/452553128.db2.gz PBXHVNJCZATRKP-OKILXGFUSA-N 2 1 340.512 1.055 20 0 EDADMP COCCO[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655756737 452560397 /nfs/dbraw/zinc/56/03/97/452560397.db2.gz XEGQMIMBLUBJIT-KZNAEPCWSA-N 2 1 342.480 1.040 20 0 EDADMP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000650179001 452578080 /nfs/dbraw/zinc/57/80/80/452578080.db2.gz PRDHFVPIDDOLIP-LJQANCHMSA-N 2 1 347.503 1.982 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000650179001 452578088 /nfs/dbraw/zinc/57/80/88/452578088.db2.gz PRDHFVPIDDOLIP-LJQANCHMSA-N 2 1 347.503 1.982 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000650179001 452578100 /nfs/dbraw/zinc/57/81/00/452578100.db2.gz PRDHFVPIDDOLIP-LJQANCHMSA-N 2 1 347.503 1.982 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000650179001 452578112 /nfs/dbraw/zinc/57/81/12/452578112.db2.gz PRDHFVPIDDOLIP-LJQANCHMSA-N 2 1 347.503 1.982 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904259 452645588 /nfs/dbraw/zinc/64/55/88/452645588.db2.gz ZZCIKHJRLPQJQN-LSDHHAIUSA-N 2 1 334.464 1.315 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904259 452645594 /nfs/dbraw/zinc/64/55/94/452645594.db2.gz ZZCIKHJRLPQJQN-LSDHHAIUSA-N 2 1 334.464 1.315 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cnn(CC(F)F)c1 ZINC000666166223 452656145 /nfs/dbraw/zinc/65/61/45/452656145.db2.gz KTUMCYLKGICIEC-LBPRGKRZSA-N 2 1 346.426 1.542 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cnn(CC(F)F)c1 ZINC000666166223 452656149 /nfs/dbraw/zinc/65/61/49/452656149.db2.gz KTUMCYLKGICIEC-LBPRGKRZSA-N 2 1 346.426 1.542 20 0 EDADMP C[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654589270 452674163 /nfs/dbraw/zinc/67/41/63/452674163.db2.gz HNBOXHBGVMOSIS-KFWWJZLASA-N 2 1 345.447 1.631 20 0 EDADMP C[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654589270 452674175 /nfs/dbraw/zinc/67/41/75/452674175.db2.gz HNBOXHBGVMOSIS-KFWWJZLASA-N 2 1 345.447 1.631 20 0 EDADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCOc2cccc(C)c2)CC[C@@H]1[NH3+] ZINC000647938445 452678006 /nfs/dbraw/zinc/67/80/06/452678006.db2.gz NITBWPIOLOIISN-JZXOWHBKSA-N 2 1 333.476 1.938 20 0 EDADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCOc2cccc(C)c2)CC[C@@H]1[NH3+] ZINC000647938445 452678013 /nfs/dbraw/zinc/67/80/13/452678013.db2.gz NITBWPIOLOIISN-JZXOWHBKSA-N 2 1 333.476 1.938 20 0 EDADMP Cc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)nn1C ZINC000666212375 452689047 /nfs/dbraw/zinc/68/90/47/452689047.db2.gz XZDNVRAGRMHLEJ-INIZCTEOSA-N 2 1 333.505 1.868 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCO[C@@H]1CC1(F)F ZINC000666212644 452689368 /nfs/dbraw/zinc/68/93/68/452689368.db2.gz KJPNYAOOPXQIAH-CQSZACIVSA-N 2 1 348.438 1.078 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCO[C@@H]1CC1(F)F ZINC000666212644 452689377 /nfs/dbraw/zinc/68/93/77/452689377.db2.gz KJPNYAOOPXQIAH-CQSZACIVSA-N 2 1 348.438 1.078 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3CC[NH+]3C(C)(C)C)cc2C1 ZINC000658121586 452734562 /nfs/dbraw/zinc/73/45/62/452734562.db2.gz BSCOKTQTLRSHCR-MRXNPFEDSA-N 2 1 344.459 1.560 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3CC[NH+]3C(C)(C)C)cc2C1 ZINC000658121586 452734569 /nfs/dbraw/zinc/73/45/69/452734569.db2.gz BSCOKTQTLRSHCR-MRXNPFEDSA-N 2 1 344.459 1.560 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)cc2C1 ZINC000658121586 452734580 /nfs/dbraw/zinc/73/45/80/452734580.db2.gz BSCOKTQTLRSHCR-MRXNPFEDSA-N 2 1 344.459 1.560 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)cc2C1 ZINC000658121586 452734589 /nfs/dbraw/zinc/73/45/89/452734589.db2.gz BSCOKTQTLRSHCR-MRXNPFEDSA-N 2 1 344.459 1.560 20 0 EDADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654650928 452749278 /nfs/dbraw/zinc/74/92/78/452749278.db2.gz PUOHTYLCBGOXSA-NCOADZHNSA-N 2 1 340.512 1.467 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654650928 452749287 /nfs/dbraw/zinc/74/92/87/452749287.db2.gz PUOHTYLCBGOXSA-NCOADZHNSA-N 2 1 340.512 1.467 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654650928 452749293 /nfs/dbraw/zinc/74/92/93/452749293.db2.gz PUOHTYLCBGOXSA-NCOADZHNSA-N 2 1 340.512 1.467 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654650928 452749300 /nfs/dbraw/zinc/74/93/00/452749300.db2.gz PUOHTYLCBGOXSA-NCOADZHNSA-N 2 1 340.512 1.467 20 0 EDADMP CC1(C)CN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC[N@H+]1CCO ZINC000654734985 452860184 /nfs/dbraw/zinc/86/01/84/452860184.db2.gz ODNIYQFSRWSEBE-JKSUJKDBSA-N 2 1 338.496 1.101 20 0 EDADMP CC1(C)CN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH+]1CCO ZINC000654734985 452860193 /nfs/dbraw/zinc/86/01/93/452860193.db2.gz ODNIYQFSRWSEBE-JKSUJKDBSA-N 2 1 338.496 1.101 20 0 EDADMP CC1(C)CN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH+]1CCO ZINC000654734985 452860197 /nfs/dbraw/zinc/86/01/97/452860197.db2.gz ODNIYQFSRWSEBE-JKSUJKDBSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc(C(N)=O)cc1Cl ZINC000664195579 452869850 /nfs/dbraw/zinc/86/98/50/452869850.db2.gz CWAPLUPYWZNHRT-NSHDSACASA-N 2 1 327.860 1.518 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc(C(N)=O)cc1Cl ZINC000664195579 452869853 /nfs/dbraw/zinc/86/98/53/452869853.db2.gz CWAPLUPYWZNHRT-NSHDSACASA-N 2 1 327.860 1.518 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C[C@H](C)[N@@H+]1CCO ZINC000654738791 452870726 /nfs/dbraw/zinc/87/07/26/452870726.db2.gz RCPSVVCWCCTUFZ-YYIAUSFCSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@H](C)[NH+]1CCO ZINC000654738791 452870733 /nfs/dbraw/zinc/87/07/33/452870733.db2.gz RCPSVVCWCCTUFZ-YYIAUSFCSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@H](C)[NH+]1CCO ZINC000654738791 452870738 /nfs/dbraw/zinc/87/07/38/452870738.db2.gz RCPSVVCWCCTUFZ-YYIAUSFCSA-N 2 1 338.496 1.100 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(CO)c2)CC1 ZINC000643961400 452872604 /nfs/dbraw/zinc/87/26/04/452872604.db2.gz DDHXEELJSPCPHY-UHFFFAOYSA-N 2 1 326.400 1.578 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000648177512 452890276 /nfs/dbraw/zinc/89/02/76/452890276.db2.gz FIPJTTALIAVEBR-ZFWWWQNUSA-N 2 1 345.451 1.311 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662174428 452911563 /nfs/dbraw/zinc/91/15/63/452911563.db2.gz ALGSCIBXORFSTP-UHFFFAOYSA-N 2 1 326.529 1.685 20 0 EDADMP CCCN(C)CC(C)(C)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662174428 452911572 /nfs/dbraw/zinc/91/15/72/452911572.db2.gz ALGSCIBXORFSTP-UHFFFAOYSA-N 2 1 326.529 1.685 20 0 EDADMP C[C@@H]1C[C@H]1c1nnc2ccc(NCC[N@H+](C)CCC[NH+](C)C)nn21 ZINC000664246246 452925741 /nfs/dbraw/zinc/92/57/41/452925741.db2.gz WIUFHSDZACNRCH-ZIAGYGMSSA-N 2 1 331.468 1.543 20 0 EDADMP C[C@@H]1C[C@H]1c1nnc2ccc(NCC[N@@H+](C)CCC[NH+](C)C)nn21 ZINC000664246246 452925751 /nfs/dbraw/zinc/92/57/51/452925751.db2.gz WIUFHSDZACNRCH-ZIAGYGMSSA-N 2 1 331.468 1.543 20 0 EDADMP COc1cc(NC(=O)C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc(OC)c1 ZINC000662259247 452987225 /nfs/dbraw/zinc/98/72/25/452987225.db2.gz SRQWLBCBMOHFHZ-CQSZACIVSA-N 2 1 349.431 1.095 20 0 EDADMP COc1cc(NC(=O)C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc(OC)c1 ZINC000662259247 452987233 /nfs/dbraw/zinc/98/72/33/452987233.db2.gz SRQWLBCBMOHFHZ-CQSZACIVSA-N 2 1 349.431 1.095 20 0 EDADMP O=C1[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CCN1CC(F)(F)F ZINC000662294525 453016535 /nfs/dbraw/zinc/01/65/35/453016535.db2.gz XKBLBAWHSJQLMU-KGLIPLIRSA-N 2 1 333.398 1.861 20 0 EDADMP C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000654928592 453043057 /nfs/dbraw/zinc/04/30/57/453043057.db2.gz CKJDKNMBYFSBEJ-CWRNSKLLSA-N 2 1 341.521 1.039 20 0 EDADMP C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000654928592 453043065 /nfs/dbraw/zinc/04/30/65/453043065.db2.gz CKJDKNMBYFSBEJ-CWRNSKLLSA-N 2 1 341.521 1.039 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000646061106 453074551 /nfs/dbraw/zinc/07/45/51/453074551.db2.gz CGVZPONFVVAPDT-UHFFFAOYSA-N 2 1 347.507 1.122 20 0 EDADMP C[C@@H](NC(=O)CC1([NH3+])CCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065445 453077864 /nfs/dbraw/zinc/07/78/64/453077864.db2.gz GLEVCXYYGWLMKJ-WBVHZDCISA-N 2 1 331.460 1.664 20 0 EDADMP C[C@@H](NC(=O)CC1([NH3+])CCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065445 453077875 /nfs/dbraw/zinc/07/78/75/453077875.db2.gz GLEVCXYYGWLMKJ-WBVHZDCISA-N 2 1 331.460 1.664 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000658524797 453078075 /nfs/dbraw/zinc/07/80/75/453078075.db2.gz UAKYJQRSZKVCCK-UONOGXRCSA-N 2 1 347.463 1.452 20 0 EDADMP CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000658524797 453078088 /nfs/dbraw/zinc/07/80/88/453078088.db2.gz UAKYJQRSZKVCCK-UONOGXRCSA-N 2 1 347.463 1.452 20 0 EDADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@H]3C[NH+](C)Cc4ccccc43)C2)C1 ZINC000644202218 453133489 /nfs/dbraw/zinc/13/34/89/453133489.db2.gz QPEGWFNBVMJQOK-PKOBYXMFSA-N 2 1 328.460 1.910 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@H]3C[NH+](C)Cc4ccccc43)C2)C1 ZINC000644202218 453133496 /nfs/dbraw/zinc/13/34/96/453133496.db2.gz QPEGWFNBVMJQOK-PKOBYXMFSA-N 2 1 328.460 1.910 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)C2)C1 ZINC000644202218 453133504 /nfs/dbraw/zinc/13/35/04/453133504.db2.gz QPEGWFNBVMJQOK-PKOBYXMFSA-N 2 1 328.460 1.910 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)C2)C1 ZINC000644202218 453133512 /nfs/dbraw/zinc/13/35/12/453133512.db2.gz QPEGWFNBVMJQOK-PKOBYXMFSA-N 2 1 328.460 1.910 20 0 EDADMP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000662467937 453179151 /nfs/dbraw/zinc/17/91/51/453179151.db2.gz HUFRPQZEKVWHAJ-AWEZNQCLSA-N 2 1 331.464 1.577 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000660296617 453184572 /nfs/dbraw/zinc/18/45/72/453184572.db2.gz DDJCUNMHOLOWTD-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000660296617 453184576 /nfs/dbraw/zinc/18/45/76/453184576.db2.gz DDJCUNMHOLOWTD-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000660298329 453187236 /nfs/dbraw/zinc/18/72/36/453187236.db2.gz USNXXBBWUZLSAX-HZPDHXFCSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000660298329 453187245 /nfs/dbraw/zinc/18/72/45/453187245.db2.gz USNXXBBWUZLSAX-HZPDHXFCSA-N 2 1 340.512 1.515 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662485420 453200739 /nfs/dbraw/zinc/20/07/39/453200739.db2.gz HBJDWDNBKOZJIU-CABCVRRESA-N 2 1 331.464 1.291 20 0 EDADMP CO[C@@H]1[C@H](C)[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664587307 453221899 /nfs/dbraw/zinc/22/18/99/453221899.db2.gz KBBSAPUVZDKKRS-ZJIFWQFVSA-N 2 1 342.528 1.617 20 0 EDADMP [NH3+][C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1Br ZINC000662515315 453232611 /nfs/dbraw/zinc/23/26/11/453232611.db2.gz LLKMHHKHBBDILG-WDMOLILDSA-N 2 1 338.249 1.802 20 0 EDADMP [NH3+][C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1Br ZINC000662521896 453241823 /nfs/dbraw/zinc/24/18/23/453241823.db2.gz USJHZZBKFKIJDB-BPNCWPANSA-N 2 1 338.249 1.659 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000666924034 453246955 /nfs/dbraw/zinc/24/69/55/453246955.db2.gz XIYBWUCGYHOUFV-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000666924034 453246963 /nfs/dbraw/zinc/24/69/63/453246963.db2.gz XIYBWUCGYHOUFV-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000646264234 453268973 /nfs/dbraw/zinc/26/89/73/453268973.db2.gz MTDCJYLNUSGYFO-OQIJWPOYSA-N 2 1 345.487 1.780 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662550090 453278973 /nfs/dbraw/zinc/27/89/73/453278973.db2.gz ZXQHHFOYAXUJDP-NRUUGDAUSA-N 2 1 326.238 1.645 20 0 EDADMP CN(C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000666972953 453287794 /nfs/dbraw/zinc/28/77/94/453287794.db2.gz LSXSXOUNYJGQTE-SJORKVTESA-N 2 1 336.480 1.118 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653109072 453294348 /nfs/dbraw/zinc/29/43/48/453294348.db2.gz RGWNHIKCGSQMIL-HKUYNNGSSA-N 2 1 331.460 1.379 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+]CC3)c2)CCO1 ZINC000653112625 453300283 /nfs/dbraw/zinc/30/02/83/453300283.db2.gz DNRLAAXBOGGDPO-LPHOPBHVSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+]CC3)c2)CCO1 ZINC000653112625 453300290 /nfs/dbraw/zinc/30/02/90/453300290.db2.gz DNRLAAXBOGGDPO-LPHOPBHVSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000653119618 453309134 /nfs/dbraw/zinc/30/91/34/453309134.db2.gz PTOVBBAXCKNIHG-NZSAHSFTSA-N 2 1 346.519 1.777 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653125019 453318507 /nfs/dbraw/zinc/31/85/07/453318507.db2.gz QCYMPGYKOFLZMW-ZWKOTPCHSA-N 2 1 344.503 1.703 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC000662592798 453319092 /nfs/dbraw/zinc/31/90/92/453319092.db2.gz KIKGOIYSLCOAHU-LBTNJELSSA-N 2 1 325.497 1.756 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000662593678 453321560 /nfs/dbraw/zinc/32/15/60/453321560.db2.gz QAPVQYDXQIKJBX-BKEDOTJMSA-N 2 1 337.508 1.756 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000662593684 453321714 /nfs/dbraw/zinc/32/17/14/453321714.db2.gz QAPVQYDXQIKJBX-MMMWYMCRSA-N 2 1 337.508 1.756 20 0 EDADMP CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000648851195 453328740 /nfs/dbraw/zinc/32/87/40/453328740.db2.gz LHQHJWYKYCSRMP-QGZVFWFLSA-N 2 1 348.491 1.863 20 0 EDADMP CC(C)C[N@H+](C)CCCNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000651195577 453349340 /nfs/dbraw/zinc/34/93/40/453349340.db2.gz RVSPWIXUAKNSNC-CALCHBBNSA-N 2 1 342.528 1.715 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000651195577 453349347 /nfs/dbraw/zinc/34/93/47/453349347.db2.gz RVSPWIXUAKNSNC-CALCHBBNSA-N 2 1 342.528 1.715 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000651195577 453349353 /nfs/dbraw/zinc/34/93/53/453349353.db2.gz RVSPWIXUAKNSNC-CALCHBBNSA-N 2 1 342.528 1.715 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NCC3([NH3+])CCCC3)cc2F)CC1 ZINC000662650717 453364597 /nfs/dbraw/zinc/36/45/97/453364597.db2.gz FZGBJEHCQVGLEL-UHFFFAOYSA-N 2 1 348.466 1.969 20 0 EDADMP Cc1ccn([C@H](C)CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000667054747 453371757 /nfs/dbraw/zinc/37/17/57/453371757.db2.gz TZJKQOZXNQKEFI-OAHLLOKOSA-N 2 1 342.447 1.928 20 0 EDADMP CCN(C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664758949 453383637 /nfs/dbraw/zinc/38/36/37/453383637.db2.gz RBYWKRRPASZXDD-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CCN(C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CC[NH+](CC)C1 ZINC000664758949 453383644 /nfs/dbraw/zinc/38/36/44/453383644.db2.gz RBYWKRRPASZXDD-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CCN(C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CC[NH+](CC)C1 ZINC000664758949 453383649 /nfs/dbraw/zinc/38/36/49/453383649.db2.gz RBYWKRRPASZXDD-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653202611 453396963 /nfs/dbraw/zinc/39/69/63/453396963.db2.gz PDRKKGJDKPRMQI-BMFAXAFESA-N 2 1 346.519 1.775 20 0 EDADMP C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[N@H+]1CCCC[C@H]1C ZINC000662679160 453398632 /nfs/dbraw/zinc/39/86/32/453398632.db2.gz KYUOSQYRQTWGBC-BZUAXINKSA-N 2 1 348.495 1.585 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000662699715 453420780 /nfs/dbraw/zinc/42/07/80/453420780.db2.gz ROXWERUCXVDWPJ-MRXNPFEDSA-N 2 1 332.448 1.401 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662749555 453479736 /nfs/dbraw/zinc/47/97/36/453479736.db2.gz JLRVYZBJHMDDSN-ZFWWWQNUSA-N 2 1 333.398 1.719 20 0 EDADMP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000660702515 453526746 /nfs/dbraw/zinc/52/67/46/453526746.db2.gz JVPZEOYLWQAYDT-SFHVURJKSA-N 2 1 334.508 1.892 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CC[NH2+]C3CC3)cc2)CC1 ZINC000655445952 453533451 /nfs/dbraw/zinc/53/34/51/453533451.db2.gz UITBHFGOJQETNP-UHFFFAOYSA-N 2 1 344.459 1.545 20 0 EDADMP Cc1c(C[NH3+])c(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nn1C ZINC000662836638 453561722 /nfs/dbraw/zinc/56/17/22/453561722.db2.gz CARUQZVYJSVERH-OAHLLOKOSA-N 2 1 342.447 1.433 20 0 EDADMP CC[N@@H+](CCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CC1 ZINC000659034973 453591562 /nfs/dbraw/zinc/59/15/62/453591562.db2.gz SDPPKKISOXRSGI-QGZVFWFLSA-N 2 1 332.448 1.953 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000660829807 453593351 /nfs/dbraw/zinc/59/33/51/453593351.db2.gz JLLVDZPZBIZHDM-HZPDHXFCSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000660829807 453593357 /nfs/dbraw/zinc/59/33/57/453593357.db2.gz JLLVDZPZBIZHDM-HZPDHXFCSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000660829807 453593361 /nfs/dbraw/zinc/59/33/61/453593361.db2.gz JLLVDZPZBIZHDM-HZPDHXFCSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@@H]1COCCN1CCNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660855213 453612105 /nfs/dbraw/zinc/61/21/05/453612105.db2.gz LOIPTKZPTCMDMH-WBVHZDCISA-N 2 1 338.496 1.128 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000662941299 453617513 /nfs/dbraw/zinc/61/75/13/453617513.db2.gz VWTLSHRURQKCPA-MSOLQXFVSA-N 2 1 330.476 1.061 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000662941299 453617518 /nfs/dbraw/zinc/61/75/18/453617518.db2.gz VWTLSHRURQKCPA-MSOLQXFVSA-N 2 1 330.476 1.061 20 0 EDADMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(-n2cncn2)cc1 ZINC000665290972 453637866 /nfs/dbraw/zinc/63/78/66/453637866.db2.gz QHWULGOCDOIYED-NSHDSACASA-N 2 1 325.376 1.072 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290939 453638081 /nfs/dbraw/zinc/63/80/81/453638081.db2.gz PFAXGRSCNAKRLB-WMLDXEAASA-N 2 1 341.459 1.641 20 0 EDADMP [NH3+][C@@H](CCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)CC1CCCCC1 ZINC000659359045 453727582 /nfs/dbraw/zinc/72/75/82/453727582.db2.gz VXTWHLANSYWFBU-ROUUACIJSA-N 2 1 337.508 1.997 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665555966 453747666 /nfs/dbraw/zinc/74/76/66/453747666.db2.gz OHZKLKCFVYIYCQ-OAHLLOKOSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH+]1CCC(O)(C[NH2+]Cc2c(F)cncc2Br)CC1 ZINC000657371839 453776856 /nfs/dbraw/zinc/77/68/56/453776856.db2.gz NTGFVGWUDVHGCK-UHFFFAOYSA-N 2 1 332.217 1.530 20 0 EDADMP COc1cc(C)[nH+]c(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000663371793 453782414 /nfs/dbraw/zinc/78/24/14/453782414.db2.gz XLERPLJROIEDOF-KRWDZBQOSA-N 2 1 332.448 1.313 20 0 EDADMP COc1cc(C)[nH+]c(CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000663371793 453782415 /nfs/dbraw/zinc/78/24/15/453782415.db2.gz XLERPLJROIEDOF-KRWDZBQOSA-N 2 1 332.448 1.313 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361425 453799630 /nfs/dbraw/zinc/79/96/30/453799630.db2.gz MCGMCXPOZNNRIT-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361425 453799636 /nfs/dbraw/zinc/79/96/36/453799636.db2.gz MCGMCXPOZNNRIT-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361425 453799639 /nfs/dbraw/zinc/79/96/39/453799639.db2.gz MCGMCXPOZNNRIT-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361425 453799643 /nfs/dbraw/zinc/79/96/43/453799643.db2.gz MCGMCXPOZNNRIT-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP CN(C)c1cc[nH+]c(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000680255527 486731625 /nfs/dbraw/zinc/73/16/25/486731625.db2.gz HBIYANPLVPMRKZ-LJQANCHMSA-N 2 1 340.427 1.723 20 0 EDADMP C[C@@H](CCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCCC1 ZINC000680292840 486741485 /nfs/dbraw/zinc/74/14/85/486741485.db2.gz WOWPGCRMLRVWPB-JYJNAYRXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](CCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCCC1 ZINC000680292840 486741489 /nfs/dbraw/zinc/74/14/89/486741489.db2.gz WOWPGCRMLRVWPB-JYJNAYRXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746310 486740738 /nfs/dbraw/zinc/74/07/38/486740738.db2.gz KRBWHJXGBHXFPZ-GXTWGEPZSA-N 2 1 346.431 1.771 20 0 EDADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746310 486740741 /nfs/dbraw/zinc/74/07/41/486740741.db2.gz KRBWHJXGBHXFPZ-GXTWGEPZSA-N 2 1 346.431 1.771 20 0 EDADMP C[C@@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000683574474 486760276 /nfs/dbraw/zinc/76/02/76/486760276.db2.gz QKOIHYLRIAVMEP-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](NC(=O)NCC[N@H+]1CCCC(C)(C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000683574474 486760280 /nfs/dbraw/zinc/76/02/80/486760280.db2.gz QKOIHYLRIAVMEP-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+]1CCCC(C)(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000683574474 486760284 /nfs/dbraw/zinc/76/02/84/486760284.db2.gz QKOIHYLRIAVMEP-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+]1CCCC(C)(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000683574474 486760289 /nfs/dbraw/zinc/76/02/89/486760289.db2.gz QKOIHYLRIAVMEP-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684026617 486916368 /nfs/dbraw/zinc/91/63/68/486916368.db2.gz ZEOYONIPGFHRDU-KRWDZBQOSA-N 2 1 335.492 1.780 20 0 EDADMP C[N@H+](CCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000684161828 486962919 /nfs/dbraw/zinc/96/29/19/486962919.db2.gz JIVNMBZZUMNJFK-GOSISDBHSA-N 2 1 337.508 1.964 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000684161828 486962923 /nfs/dbraw/zinc/96/29/23/486962923.db2.gz JIVNMBZZUMNJFK-GOSISDBHSA-N 2 1 337.508 1.964 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000684184235 486973645 /nfs/dbraw/zinc/97/36/45/486973645.db2.gz RONLAKYUHOZZJD-IRXDYDNUSA-N 2 1 349.450 1.885 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000684436870 487059730 /nfs/dbraw/zinc/05/97/30/487059730.db2.gz NCKXZTOEYCEGCW-HNNXBMFYSA-N 2 1 342.447 1.437 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000684436870 487059737 /nfs/dbraw/zinc/05/97/37/487059737.db2.gz NCKXZTOEYCEGCW-HNNXBMFYSA-N 2 1 342.447 1.437 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000674030133 487186984 /nfs/dbraw/zinc/18/69/84/487186984.db2.gz YWMWXZLEEYWIGN-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000674015814 487184313 /nfs/dbraw/zinc/18/43/13/487184313.db2.gz YTLQYSJNZXKNJJ-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000674015814 487184316 /nfs/dbraw/zinc/18/43/16/487184316.db2.gz YTLQYSJNZXKNJJ-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677904177 487196969 /nfs/dbraw/zinc/19/69/69/487196969.db2.gz GPWCXNXXDRSSOU-KZNAEPCWSA-N 2 1 345.487 1.784 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677904177 487196973 /nfs/dbraw/zinc/19/69/73/487196973.db2.gz GPWCXNXXDRSSOU-KZNAEPCWSA-N 2 1 345.487 1.784 20 0 EDADMP C[C@H]1C[C@H](NC(=O)CN2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000674323148 487235668 /nfs/dbraw/zinc/23/56/68/487235668.db2.gz JJKWOZISYFFUCU-PKOBYXMFSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H]1C[C@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000674323148 487235676 /nfs/dbraw/zinc/23/56/76/487235676.db2.gz JJKWOZISYFFUCU-PKOBYXMFSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000682109619 487304174 /nfs/dbraw/zinc/30/41/74/487304174.db2.gz LWSZDKHXZNYHTR-YOEHRIQHSA-N 2 1 334.464 1.631 20 0 EDADMP C[C@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000682109619 487304178 /nfs/dbraw/zinc/30/41/78/487304178.db2.gz LWSZDKHXZNYHTR-YOEHRIQHSA-N 2 1 334.464 1.631 20 0 EDADMP C[C@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000682109618 487304693 /nfs/dbraw/zinc/30/46/93/487304693.db2.gz LWSZDKHXZNYHTR-WMLDXEAASA-N 2 1 334.464 1.631 20 0 EDADMP C[C@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000682109618 487304695 /nfs/dbraw/zinc/30/46/95/487304695.db2.gz LWSZDKHXZNYHTR-WMLDXEAASA-N 2 1 334.464 1.631 20 0 EDADMP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679333287 487415818 /nfs/dbraw/zinc/41/58/18/487415818.db2.gz UGPGDBGHTNGUQC-IEBWSBKVSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679333287 487415819 /nfs/dbraw/zinc/41/58/19/487415819.db2.gz UGPGDBGHTNGUQC-IEBWSBKVSA-N 2 1 344.503 1.261 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)NC/C=C\C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000669554179 485552715 /nfs/dbraw/zinc/55/27/15/485552715.db2.gz NNOSJIABUXGYMG-IAFRVXFPSA-N 2 1 344.459 1.787 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@@H]1CCCC[NH2+]1 ZINC000669312780 485960102 /nfs/dbraw/zinc/96/01/02/485960102.db2.gz SNKKYTLMLKALSI-SFHVURJKSA-N 2 1 330.476 1.876 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000669389701 486026161 /nfs/dbraw/zinc/02/61/61/486026161.db2.gz ZOTBSNBRWZDZKG-FMKPAKJESA-N 2 1 348.516 1.888 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000669389701 486026166 /nfs/dbraw/zinc/02/61/66/486026166.db2.gz ZOTBSNBRWZDZKG-FMKPAKJESA-N 2 1 348.516 1.888 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669409524 486100707 /nfs/dbraw/zinc/10/07/07/486100707.db2.gz KDZTYDNOECRTIB-XFIYOXNOSA-N 2 1 326.485 1.110 20 0 EDADMP [NH3+]C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000669420512 486141496 /nfs/dbraw/zinc/14/14/96/486141496.db2.gz NTQFRQDZTDNALE-AEFFLSMTSA-N 2 1 330.476 1.935 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669477973 486238522 /nfs/dbraw/zinc/23/85/22/486238522.db2.gz MFHREVJCOAELFZ-JKSUJKDBSA-N 2 1 340.537 1.456 20 0 EDADMP C[C@H](NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C1CC[NH+](C)CC1 ZINC000669490450 486263171 /nfs/dbraw/zinc/26/31/71/486263171.db2.gz HNGMVIGTGAZRAL-WMLDXEAASA-N 2 1 331.464 1.468 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000275497962 486536689 /nfs/dbraw/zinc/53/66/89/486536689.db2.gz BXOITWNAIARJDV-KURKYZTESA-N 2 1 331.460 1.664 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000275497962 486536697 /nfs/dbraw/zinc/53/66/97/486536697.db2.gz BXOITWNAIARJDV-KURKYZTESA-N 2 1 331.460 1.664 20 0 EDADMP C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133195386 491220106 /nfs/dbraw/zinc/22/01/06/491220106.db2.gz RAGQCGDMNNEKSH-YOEHRIQHSA-N 2 1 334.464 1.267 20 0 EDADMP C[NH+](C)CCOCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000318415573 491248910 /nfs/dbraw/zinc/24/89/10/491248910.db2.gz LPZNPUREXNOGDU-CQSZACIVSA-N 2 1 330.425 1.212 20 0 EDADMP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000181066848 533740938 /nfs/dbraw/zinc/74/09/38/533740938.db2.gz XXBACRUSGJAFSG-INIZCTEOSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000181066848 533740944 /nfs/dbraw/zinc/74/09/44/533740944.db2.gz XXBACRUSGJAFSG-INIZCTEOSA-N 2 1 330.476 1.997 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000236822330 534900631 /nfs/dbraw/zinc/90/06/31/534900631.db2.gz JAZFWWODZIJUGZ-QGZVFWFLSA-N 2 1 346.475 1.459 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000177994802 527880027 /nfs/dbraw/zinc/88/00/27/527880027.db2.gz QUGLLAQZRWDXFT-WBVHZDCISA-N 2 1 339.505 1.593 20 0 EDADMP CC[N@H+]1CC[C@H](NCc2cccnc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000158460913 527882371 /nfs/dbraw/zinc/88/23/71/527882371.db2.gz KMFPHCPPAPDKFB-AEFFLSMTSA-N 2 1 331.508 1.653 20 0 EDADMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174889884 528554007 /nfs/dbraw/zinc/55/40/07/528554007.db2.gz NKQBBZDUZRKFBO-SJORKVTESA-N 2 1 338.540 1.782 20 0 EDADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174889884 528554013 /nfs/dbraw/zinc/55/40/13/528554013.db2.gz NKQBBZDUZRKFBO-SJORKVTESA-N 2 1 338.540 1.782 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000178683351 528821248 /nfs/dbraw/zinc/82/12/48/528821248.db2.gz AFUJMGBQUPLPSQ-RBUKOAKNSA-N 2 1 347.503 1.982 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(O)c1 ZINC000174195819 529071564 /nfs/dbraw/zinc/07/15/64/529071564.db2.gz WPHRFWDHKCRECL-QGZVFWFLSA-N 2 1 348.491 1.950 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261918173 535341900 /nfs/dbraw/zinc/34/19/00/535341900.db2.gz YJJSPINPHDSPMX-SFHVURJKSA-N 2 1 345.487 1.863 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261918173 535341905 /nfs/dbraw/zinc/34/19/05/535341905.db2.gz YJJSPINPHDSPMX-SFHVURJKSA-N 2 1 345.487 1.863 20 0 EDADMP CCOC(=O)CCCCC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000344783667 535627304 /nfs/dbraw/zinc/62/73/04/535627304.db2.gz YPJUURZOZFDRRW-KRWDZBQOSA-N 2 1 325.497 1.822 20 0 EDADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(OC)c(OC)c1 ZINC000262073485 535703951 /nfs/dbraw/zinc/70/39/51/535703951.db2.gz KEQAOVHSUQPGAG-UHFFFAOYSA-N 2 1 335.448 1.348 20 0 EDADMP CCc1nocc1C[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339359669 535905920 /nfs/dbraw/zinc/90/59/20/535905920.db2.gz KSNFODZEFYTSEP-KBPBESRZSA-N 2 1 348.426 1.800 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000245420763 536034632 /nfs/dbraw/zinc/03/46/32/536034632.db2.gz CHHGINRPDPOJQE-SJORKVTESA-N 2 1 344.459 1.382 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)cn1 ZINC000333849654 536053748 /nfs/dbraw/zinc/05/37/48/536053748.db2.gz PUSWAPMVMJBJDM-NVXWUHKLSA-N 2 1 348.495 1.261 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)cn1 ZINC000333849654 536053752 /nfs/dbraw/zinc/05/37/52/536053752.db2.gz PUSWAPMVMJBJDM-NVXWUHKLSA-N 2 1 348.495 1.261 20 0 EDADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000109752573 536358654 /nfs/dbraw/zinc/35/86/54/536358654.db2.gz KDXXKUHTQXUQBU-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000109752573 536358657 /nfs/dbraw/zinc/35/86/57/536358657.db2.gz KDXXKUHTQXUQBU-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)CC[C@H]21 ZINC000261607857 536379050 /nfs/dbraw/zinc/37/90/50/536379050.db2.gz CZZGCONZUCXYPE-GMKVZWAMSA-N 2 1 335.492 1.462 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)CCCCCC[NH3+])cc2)CC1 ZINC000237136594 536406874 /nfs/dbraw/zinc/40/68/74/536406874.db2.gz KHTGCKUCAWCBAE-UHFFFAOYSA-N 2 1 346.475 1.922 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CC(F)F ZINC000345703562 536434420 /nfs/dbraw/zinc/43/44/20/536434420.db2.gz DFWAMOMSAOXDIL-LSDHHAIUSA-N 2 1 325.403 1.949 20 0 EDADMP CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261882762 536478379 /nfs/dbraw/zinc/47/83/79/536478379.db2.gz FPCDEKPGLYCOCB-KZNAEPCWSA-N 2 1 331.460 1.392 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000262974586 536561442 /nfs/dbraw/zinc/56/14/42/536561442.db2.gz XYBKDIVQASRZQT-INIZCTEOSA-N 2 1 339.867 1.738 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000262974586 536561447 /nfs/dbraw/zinc/56/14/47/536561447.db2.gz XYBKDIVQASRZQT-INIZCTEOSA-N 2 1 339.867 1.738 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000079096779 536788063 /nfs/dbraw/zinc/78/80/63/536788063.db2.gz LHGLVNZBIGBENQ-UHFFFAOYSA-N 2 1 328.501 1.374 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccn(C(C)C)n1 ZINC000742609186 579456620 /nfs/dbraw/zinc/45/66/20/579456620.db2.gz OOSZBBCFSLVEJN-SFHVURJKSA-N 2 1 349.523 1.881 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728530529 578548415 /nfs/dbraw/zinc/54/84/15/578548415.db2.gz LBQBGDSGMVVLAJ-GOSISDBHSA-N 2 1 337.508 1.823 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000729618163 578584823 /nfs/dbraw/zinc/58/48/23/578584823.db2.gz HKISIHGUYPRNNN-YESZJQIVSA-N 2 1 336.480 1.119 20 0 EDADMP Cc1ccc(N2CCC[C@H]([N@H+](C)C[C@H](O)C[NH+]3CCCC3)C2)nn1 ZINC000729929400 578602439 /nfs/dbraw/zinc/60/24/39/578602439.db2.gz UJQIJNZIPYDOPL-IRXDYDNUSA-N 2 1 333.480 1.142 20 0 EDADMP Cc1ccc(N2CCC[C@H]([N@@H+](C)C[C@H](O)C[NH+]3CCCC3)C2)nn1 ZINC000729929400 578602441 /nfs/dbraw/zinc/60/24/41/578602441.db2.gz UJQIJNZIPYDOPL-IRXDYDNUSA-N 2 1 333.480 1.142 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000734276086 578804473 /nfs/dbraw/zinc/80/44/73/578804473.db2.gz GTYPCPAZDVGEQS-KRWDZBQOSA-N 2 1 340.512 1.659 20 0 EDADMP CCOCCN1CCN(C(=S)NC[C@H]2CCC[N@H+]2CC)C[C@H]1C ZINC000735240816 578871138 /nfs/dbraw/zinc/87/11/38/578871138.db2.gz FGKNWXGRDXVAFT-HZPDHXFCSA-N 2 1 342.553 1.388 20 0 EDADMP CCOCC[N@H+]1CCN(C(=S)NC[C@H]2CCC[NH+]2CC)C[C@H]1C ZINC000735240816 578871141 /nfs/dbraw/zinc/87/11/41/578871141.db2.gz FGKNWXGRDXVAFT-HZPDHXFCSA-N 2 1 342.553 1.388 20 0 EDADMP CCOCC[NH+]1CCN(C(=S)NC[C@H]2CCC[N@@H+]2CC)C[C@H]1C ZINC000735240816 578871143 /nfs/dbraw/zinc/87/11/43/578871143.db2.gz FGKNWXGRDXVAFT-HZPDHXFCSA-N 2 1 342.553 1.388 20 0 EDADMP CCOCC[NH+]1CCN(C(=S)NC[C@H]2CCC[N@H+]2CC)C[C@H]1C ZINC000735240816 578871145 /nfs/dbraw/zinc/87/11/45/578871145.db2.gz FGKNWXGRDXVAFT-HZPDHXFCSA-N 2 1 342.553 1.388 20 0 EDADMP C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)C[C@@H]1CCC[NH+](C)C1 ZINC000736855524 579026597 /nfs/dbraw/zinc/02/65/97/579026597.db2.gz HHJWLDFKQGORQA-CQSZACIVSA-N 2 1 339.447 1.893 20 0 EDADMP C[NH+](Cc1cn2ccccc2c1-c1nn[nH]n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000736855524 579026598 /nfs/dbraw/zinc/02/65/98/579026598.db2.gz HHJWLDFKQGORQA-CQSZACIVSA-N 2 1 339.447 1.893 20 0 EDADMP C[NH+](Cc1cn2ccccc2c1-c1nn[nH]n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000736855524 579026599 /nfs/dbraw/zinc/02/65/99/579026599.db2.gz HHJWLDFKQGORQA-CQSZACIVSA-N 2 1 339.447 1.893 20 0 EDADMP C[C@H]1CCC[N@@H+]1CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000744347821 579507924 /nfs/dbraw/zinc/50/79/24/579507924.db2.gz CWMOJFNYEVLWSZ-HNNXBMFYSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000744347821 579507925 /nfs/dbraw/zinc/50/79/25/579507925.db2.gz CWMOJFNYEVLWSZ-HNNXBMFYSA-N 2 1 333.480 1.233 20 0 EDADMP C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)CC[C@H]1CCCC[NH+]1C ZINC000744410571 579509998 /nfs/dbraw/zinc/50/99/98/579509998.db2.gz OAGGJSFCXKRKSM-MRXNPFEDSA-N 2 1 339.505 1.683 20 0 EDADMP C[NH+](CCc1ccc(S(N)(=O)=O)cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000744410571 579509999 /nfs/dbraw/zinc/50/99/99/579509999.db2.gz OAGGJSFCXKRKSM-MRXNPFEDSA-N 2 1 339.505 1.683 20 0 EDADMP C[NH+](CCc1ccc(S(N)(=O)=O)cc1)CC[C@H]1CCCC[N@H+]1C ZINC000744410571 579510000 /nfs/dbraw/zinc/51/00/00/579510000.db2.gz OAGGJSFCXKRKSM-MRXNPFEDSA-N 2 1 339.505 1.683 20 0 EDADMP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745948672 579568223 /nfs/dbraw/zinc/56/82/23/579568223.db2.gz QHIHFIMDMILMIN-QGZVFWFLSA-N 3 1 325.497 1.020 20 0 EDADMP O[C@H](CN1CCCC1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745948672 579568225 /nfs/dbraw/zinc/56/82/25/579568225.db2.gz QHIHFIMDMILMIN-QGZVFWFLSA-N 2 1 325.497 1.020 20 0 EDADMP CC(C)(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000746189820 579575597 /nfs/dbraw/zinc/57/55/97/579575597.db2.gz XCQBKRZPKWYJLG-UHFFFAOYSA-N 2 1 332.448 1.325 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC000746566455 579601156 /nfs/dbraw/zinc/60/11/56/579601156.db2.gz FHLOWIFNJZFJCE-KRWDZBQOSA-N 2 1 336.480 1.931 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C[C@](C)(COC)CC2=O)C1 ZINC000747471758 579645410 /nfs/dbraw/zinc/64/54/10/579645410.db2.gz UNWFNNLCUSATBV-SJLPKXTDSA-N 2 1 341.496 1.262 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C[C@](C)(COC)CC2=O)C1 ZINC000747471758 579645412 /nfs/dbraw/zinc/64/54/12/579645412.db2.gz UNWFNNLCUSATBV-SJLPKXTDSA-N 2 1 341.496 1.262 20 0 EDADMP O=C(Nc1ccc(O)cc1)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000747763720 579657456 /nfs/dbraw/zinc/65/74/56/579657456.db2.gz QTGPLAZMYYINSK-GOSISDBHSA-N 2 1 347.459 1.499 20 0 EDADMP C[N@@H+](CCNC(=S)NC1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC000749004028 579709794 /nfs/dbraw/zinc/70/97/94/579709794.db2.gz BPYNFOCZBIQRME-UHFFFAOYSA-N 2 1 338.496 1.816 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000764491860 580121715 /nfs/dbraw/zinc/12/17/15/580121715.db2.gz VNIVTKVRHBGPIS-GJZGRUSLSA-N 2 1 326.554 1.865 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H](CCO)C2CC2)CC1 ZINC000771794747 580294228 /nfs/dbraw/zinc/29/42/28/580294228.db2.gz IIBBXMPHSAJNNF-VQIMIIECSA-N 2 1 345.487 1.642 20 0 EDADMP COC(=O)c1ccc2c(c1)C(=O)N(C[N@H+](C)CC1CC[NH+](C)CC1)C2 ZINC000776761171 580428019 /nfs/dbraw/zinc/42/80/19/580428019.db2.gz CXEJXQGYUKKZNJ-UHFFFAOYSA-N 2 1 345.443 1.660 20 0 EDADMP COC(=O)c1ccc2c(c1)C(=O)N(C[N@@H+](C)CC1CC[NH+](C)CC1)C2 ZINC000776761171 580428020 /nfs/dbraw/zinc/42/80/20/580428020.db2.gz CXEJXQGYUKKZNJ-UHFFFAOYSA-N 2 1 345.443 1.660 20 0 EDADMP COC(=O)[C@@H]1CC(=O)N(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000782270503 580570277 /nfs/dbraw/zinc/57/02/77/580570277.db2.gz RCARSIVFXJUJOU-OAHLLOKOSA-N 2 1 325.453 1.018 20 0 EDADMP COC(=O)[C@@H]1CC(=O)N(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000782270503 580570278 /nfs/dbraw/zinc/57/02/78/580570278.db2.gz RCARSIVFXJUJOU-OAHLLOKOSA-N 2 1 325.453 1.018 20 0 EDADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C[C@H](c3cncn3C)CC2=O)CC1 ZINC000783983243 580610172 /nfs/dbraw/zinc/61/01/72/580610172.db2.gz HAZOPFRREBRVIR-QGZVFWFLSA-N 2 1 347.507 1.746 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@H](c3cncn3C)CC2=O)CC1 ZINC000783983243 580610173 /nfs/dbraw/zinc/61/01/73/580610173.db2.gz HAZOPFRREBRVIR-QGZVFWFLSA-N 2 1 347.507 1.746 20 0 EDADMP C[N@@H+]1CCCC12CC[NH+](CCc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000784258894 580616761 /nfs/dbraw/zinc/61/67/61/580616761.db2.gz SLPNVAPIJDBSAO-UHFFFAOYSA-N 2 1 337.489 1.437 20 0 EDADMP C[N@H+]1CCCC12CC[NH+](CCc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000784258894 580616762 /nfs/dbraw/zinc/61/67/62/580616762.db2.gz SLPNVAPIJDBSAO-UHFFFAOYSA-N 2 1 337.489 1.437 20 0 EDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000788252956 580715146 /nfs/dbraw/zinc/71/51/46/580715146.db2.gz ARAYWLPJKXPRNR-LPHOPBHVSA-N 2 1 328.460 1.842 20 0 EDADMP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000792933074 580831157 /nfs/dbraw/zinc/83/11/57/580831157.db2.gz GFPWWMFZHVPUKM-RYQLBKOJSA-N 2 1 334.460 1.453 20 0 EDADMP C[N@@H+](CC(=O)N1CCCC2(CC[NH+](C)CC2)C1)[C@H]1CCSC1 ZINC000799027641 581014536 /nfs/dbraw/zinc/01/45/36/581014536.db2.gz QHAVOFTXKRDSAQ-HNNXBMFYSA-N 2 1 325.522 1.758 20 0 EDADMP CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000893115011 590668182 /nfs/dbraw/zinc/66/81/82/590668182.db2.gz ZXEZQYCPSVLHHK-IAGOWNOFSA-N 2 1 340.512 1.328 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@H](O)C3CC3)CC2)CC1 ZINC000890718242 590725944 /nfs/dbraw/zinc/72/59/44/590725944.db2.gz QKCACCPBTQRGGH-SFHVURJKSA-N 2 1 337.508 1.460 20 0 EDADMP C[C@@]12CN(C(=O)N[C@@H]3CC[NH2+]C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000892002691 590738041 /nfs/dbraw/zinc/73/80/41/590738041.db2.gz RBJMRDVPFLVMKX-YQVWRLOYSA-N 2 1 328.460 1.512 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC(F)(F)CN ZINC000892063184 590778860 /nfs/dbraw/zinc/77/88/60/590778860.db2.gz YANQDBXNSIRIIO-ZFWWWQNUSA-N 2 1 340.418 1.648 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000892063184 590778863 /nfs/dbraw/zinc/77/88/63/590778863.db2.gz YANQDBXNSIRIIO-ZFWWWQNUSA-N 2 1 340.418 1.648 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000892063184 590778866 /nfs/dbraw/zinc/77/88/66/590778866.db2.gz YANQDBXNSIRIIO-ZFWWWQNUSA-N 2 1 340.418 1.648 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000892294557 590919720 /nfs/dbraw/zinc/91/97/20/590919720.db2.gz KFHNCJRUZDWXOB-NJAFHUGGSA-N 2 1 346.475 1.042 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892330356 590954676 /nfs/dbraw/zinc/95/46/76/590954676.db2.gz YLRXZLOHBVCQCQ-KRWDZBQOSA-N 2 1 330.476 1.956 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)CC2)c1 ZINC000892440491 591029174 /nfs/dbraw/zinc/02/91/74/591029174.db2.gz CDTHHASQPGULHA-WKILWMFISA-N 2 1 331.464 1.739 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000891361750 591059974 /nfs/dbraw/zinc/05/99/74/591059974.db2.gz UHTOTCIVVJNWST-BBWFWOEESA-N 2 1 345.491 1.328 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891366557 591063138 /nfs/dbraw/zinc/06/31/38/591063138.db2.gz WHLXTMHXEPUKLX-WMLDXEAASA-N 2 1 328.460 1.484 20 0 EDADMP C[NH2+]C[C@H]1CCCCN1C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000891405188 591067511 /nfs/dbraw/zinc/06/75/11/591067511.db2.gz CZHXRSMKJULJIQ-MRXNPFEDSA-N 2 1 342.447 1.859 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC[N@@H+]1CCc3sccc3C1)C2 ZINC000891411350 591070029 /nfs/dbraw/zinc/07/00/29/591070029.db2.gz GZRXFYCLJPRXTC-WMLDXEAASA-N 2 1 334.489 1.357 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC[N@H+]1CCc3sccc3C1)C2 ZINC000891411350 591070033 /nfs/dbraw/zinc/07/00/33/591070033.db2.gz GZRXFYCLJPRXTC-WMLDXEAASA-N 2 1 334.489 1.357 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892599939 591088781 /nfs/dbraw/zinc/08/87/81/591088781.db2.gz WQASYZVCOWJSAB-MUJYYYPQSA-N 2 1 338.496 1.005 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000891516436 591102871 /nfs/dbraw/zinc/10/28/71/591102871.db2.gz GRHHEHKQUHRUKD-YPMHNXCESA-N 2 1 336.402 1.639 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000891538396 591113141 /nfs/dbraw/zinc/11/31/41/591113141.db2.gz XJNJYEMKYCGSTG-LSDHHAIUSA-N 2 1 326.485 1.175 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000891555713 591122899 /nfs/dbraw/zinc/12/28/99/591122899.db2.gz CJDLIDLBYSVFBL-CMKODMSKSA-N 2 1 342.487 1.902 20 0 EDADMP C[N@@H+](CCCNC(=O)NCC[NH+]1CCC(O)CC1)Cc1ccccc1 ZINC000891627178 591156963 /nfs/dbraw/zinc/15/69/63/591156963.db2.gz UWYSDDKIJGRTNI-UHFFFAOYSA-N 2 1 348.491 1.264 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc(C)[nH+]1 ZINC000891649871 591168585 /nfs/dbraw/zinc/16/85/85/591168585.db2.gz HXTWZPGOVWVGBI-IYBDPMFKSA-N 2 1 344.463 1.208 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000891748049 591208858 /nfs/dbraw/zinc/20/88/58/591208858.db2.gz NDJAZAICZBHMPW-UHFFFAOYSA-N 2 1 327.517 1.090 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000891758660 591213571 /nfs/dbraw/zinc/21/35/71/591213571.db2.gz KTXPQVSJRQOENB-NRSFXHEJSA-N 2 1 330.476 1.934 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892882123 591214161 /nfs/dbraw/zinc/21/41/61/591214161.db2.gz DVNPMVFIAIBMNX-LBPRGKRZSA-N 2 1 337.493 1.354 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3COCC3(C)C)cc2)CC1 ZINC000894179082 591218720 /nfs/dbraw/zinc/21/87/20/591218720.db2.gz NHUUPGVMTJOGGU-QGZVFWFLSA-N 2 1 331.460 1.589 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000892951419 591237271 /nfs/dbraw/zinc/23/72/71/591237271.db2.gz NFGLKCSEDGUYLG-IBGZPJMESA-N 2 1 343.475 1.653 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000895665770 591246846 /nfs/dbraw/zinc/24/68/46/591246846.db2.gz GBGWQMXEVKPWPE-USXIJHARSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000895665770 591246848 /nfs/dbraw/zinc/24/68/48/591246848.db2.gz GBGWQMXEVKPWPE-USXIJHARSA-N 2 1 340.512 1.515 20 0 EDADMP CN(C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000893014830 591254399 /nfs/dbraw/zinc/25/43/99/591254399.db2.gz ZYNALVCCOMVCRS-IAGOWNOFSA-N 2 1 338.496 1.365 20 0 EDADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895696743 591257344 /nfs/dbraw/zinc/25/73/44/591257344.db2.gz GFZJUCOFLIGSSE-MOPGFXCFSA-N 2 1 343.471 1.488 20 0 EDADMP COc1cnc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc1N[C@@H]1CC[NH+](C)[C@H]1C ZINC000895740194 591262180 /nfs/dbraw/zinc/26/21/80/591262180.db2.gz MFSQHTQRRZWEPR-REWJHTLYSA-N 2 1 334.468 1.494 20 0 EDADMP COc1cnc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc1N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000895740194 591262182 /nfs/dbraw/zinc/26/21/82/591262182.db2.gz MFSQHTQRRZWEPR-REWJHTLYSA-N 2 1 334.468 1.494 20 0 EDADMP COc1cnc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc1N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000895740194 591262183 /nfs/dbraw/zinc/26/21/83/591262183.db2.gz MFSQHTQRRZWEPR-REWJHTLYSA-N 2 1 334.468 1.494 20 0 EDADMP O=C(NCC[NH+]1CCC(O)CC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000895805194 591277377 /nfs/dbraw/zinc/27/73/77/591277377.db2.gz QWJOWFHJCNZEAS-OAHLLOKOSA-N 2 1 338.496 1.149 20 0 EDADMP CN(Cc1cnc2n1CCOC2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894459876 591318413 /nfs/dbraw/zinc/31/84/13/591318413.db2.gz QVCBFJLGOVGQDY-INIZCTEOSA-N 2 1 333.480 1.014 20 0 EDADMP O=c1oc2ccc(CN3CCC[C@H](C[NH+]4CCOCC4)C3)cc2o1 ZINC000894675381 591386872 /nfs/dbraw/zinc/38/68/72/591386872.db2.gz FEKHWSLSWYDXIO-OAHLLOKOSA-N 2 1 332.400 1.930 20 0 EDADMP CN1Cc2ccccc2[C@H]1CNC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000896241236 591398285 /nfs/dbraw/zinc/39/82/85/591398285.db2.gz VYQZFKSBQDEGOH-SUMDDJOVSA-N 2 1 328.460 1.766 20 0 EDADMP C[NH+]1CCC(C[N@H+]2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000894817522 591427737 /nfs/dbraw/zinc/42/77/37/591427737.db2.gz SCUFVUGUZKWGEC-MRXNPFEDSA-N 2 1 341.496 1.944 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000897549238 591547793 /nfs/dbraw/zinc/54/77/93/591547793.db2.gz WNHUNCQHFBRZRT-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897549238 591547796 /nfs/dbraw/zinc/54/77/96/591547796.db2.gz WNHUNCQHFBRZRT-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897615169 591588747 /nfs/dbraw/zinc/58/87/47/591588747.db2.gz QWRBQZVHFGSJAU-HKUYNNGSSA-N 2 1 343.471 1.345 20 0 EDADMP Cc1cccc(NCCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)[nH+]1 ZINC000896729182 591595085 /nfs/dbraw/zinc/59/50/85/591595085.db2.gz MMSFYNLVYCDOKG-CVEARBPZSA-N 2 1 347.463 1.043 20 0 EDADMP Cc1cccc(NCCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)[nH+]1 ZINC000896729182 591595087 /nfs/dbraw/zinc/59/50/87/591595087.db2.gz MMSFYNLVYCDOKG-CVEARBPZSA-N 2 1 347.463 1.043 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000898993405 591633648 /nfs/dbraw/zinc/63/36/48/591633648.db2.gz PTVUYHVMPUKHQY-JYJNAYRXSA-N 2 1 328.501 1.059 20 0 EDADMP CN1CCC[C@@H]1c1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)n[nH]1 ZINC000897851902 591696224 /nfs/dbraw/zinc/69/62/24/591696224.db2.gz HAFPCXKPROUDBQ-SJLPKXTDSA-N 2 1 331.464 1.734 20 0 EDADMP CN1CCC[C@@H]1c1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)[nH]n1 ZINC000897851902 591696228 /nfs/dbraw/zinc/69/62/28/591696228.db2.gz HAFPCXKPROUDBQ-SJLPKXTDSA-N 2 1 331.464 1.734 20 0 EDADMP CN1CCC[C@@H]1c1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)[nH]n1 ZINC000897851902 591696230 /nfs/dbraw/zinc/69/62/30/591696230.db2.gz HAFPCXKPROUDBQ-SJLPKXTDSA-N 2 1 331.464 1.734 20 0 EDADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)n[nH]1 ZINC000897851902 591696236 /nfs/dbraw/zinc/69/62/36/591696236.db2.gz HAFPCXKPROUDBQ-SJLPKXTDSA-N 2 1 331.464 1.734 20 0 EDADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)n[nH]1 ZINC000897851902 591696239 /nfs/dbraw/zinc/69/62/39/591696239.db2.gz HAFPCXKPROUDBQ-SJLPKXTDSA-N 2 1 331.464 1.734 20 0 EDADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)n[nH]1 ZINC000897851902 591696243 /nfs/dbraw/zinc/69/62/43/591696243.db2.gz HAFPCXKPROUDBQ-SJLPKXTDSA-N 2 1 331.464 1.734 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)[C@@H]1c1ccccc1 ZINC000897877990 591703094 /nfs/dbraw/zinc/70/30/94/591703094.db2.gz WQHPSICJADJHLW-FHWLQOOXSA-N 2 1 345.487 1.642 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCO)[C@@H]1c1ccccc1 ZINC000897877990 591703097 /nfs/dbraw/zinc/70/30/97/591703097.db2.gz WQHPSICJADJHLW-FHWLQOOXSA-N 2 1 345.487 1.642 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898109762 591785913 /nfs/dbraw/zinc/78/59/13/591785913.db2.gz KXLQGGSXMGBETF-UHFFFAOYSA-N 2 1 334.464 1.360 20 0 EDADMP CN(c1cccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1)S(C)(=O)=O ZINC000898284706 591853295 /nfs/dbraw/zinc/85/32/95/591853295.db2.gz NGUXTIUNKRWFCC-DOTOQJQBSA-N 2 1 337.489 1.799 20 0 EDADMP CN(c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)S(C)(=O)=O ZINC000898284706 591853297 /nfs/dbraw/zinc/85/32/97/591853297.db2.gz NGUXTIUNKRWFCC-DOTOQJQBSA-N 2 1 337.489 1.799 20 0 EDADMP CN(c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1)S(C)(=O)=O ZINC000898284706 591853301 /nfs/dbraw/zinc/85/33/01/591853301.db2.gz NGUXTIUNKRWFCC-DOTOQJQBSA-N 2 1 337.489 1.799 20 0 EDADMP CCC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000899988040 591856757 /nfs/dbraw/zinc/85/67/57/591856757.db2.gz NRIINZCXWCUFEP-OAHLLOKOSA-N 2 1 339.480 1.252 20 0 EDADMP CCC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000899988040 591856759 /nfs/dbraw/zinc/85/67/59/591856759.db2.gz NRIINZCXWCUFEP-OAHLLOKOSA-N 2 1 339.480 1.252 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000900002959 591861252 /nfs/dbraw/zinc/86/12/52/591861252.db2.gz ZTCJYBJZEKYMLI-MJGOQNOKSA-N 2 1 331.460 1.354 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900016171 591868550 /nfs/dbraw/zinc/86/85/50/591868550.db2.gz MINKKESOVRNCML-PKOBYXMFSA-N 2 1 333.476 1.600 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000900019328 591870575 /nfs/dbraw/zinc/87/05/75/591870575.db2.gz ZLNZIQOMKZIETL-AZUAARDMSA-N 2 1 345.487 1.744 20 0 EDADMP C[C@@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000900140977 591915639 /nfs/dbraw/zinc/91/56/39/591915639.db2.gz LXHXPMHKGCUYPO-OXJNMPFZSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](CNC(=O)C[C@]1(O)CCC[NH+](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000900140977 591915641 /nfs/dbraw/zinc/91/56/41/591915641.db2.gz LXHXPMHKGCUYPO-OXJNMPFZSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](CNC(=O)C[C@]1(O)CCC[NH+](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000900140977 591915644 /nfs/dbraw/zinc/91/56/44/591915644.db2.gz LXHXPMHKGCUYPO-OXJNMPFZSA-N 2 1 345.487 1.396 20 0 EDADMP Cn1nccc1[C@H]1[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC(=O)N1C1CC1 ZINC000902384521 591989300 /nfs/dbraw/zinc/98/93/00/591989300.db2.gz LUBFGJRIECZOQF-JCKWVBRZSA-N 2 1 345.491 1.592 20 0 EDADMP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000900351299 591992901 /nfs/dbraw/zinc/99/29/01/591992901.db2.gz YNCGXPCEJBBXMY-PKOBYXMFSA-N 2 1 331.460 1.719 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000900351299 591992903 /nfs/dbraw/zinc/99/29/03/591992903.db2.gz YNCGXPCEJBBXMY-PKOBYXMFSA-N 2 1 331.460 1.719 20 0 EDADMP COc1nn(C)cc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902456933 591999426 /nfs/dbraw/zinc/99/94/26/591999426.db2.gz QVAGQFBLBRJLSS-MAUKXSAKSA-N 2 1 328.416 1.774 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000900411916 592011555 /nfs/dbraw/zinc/01/15/55/592011555.db2.gz AKDKOTSIEVTMFY-MJGOQNOKSA-N 2 1 337.508 1.602 20 0 EDADMP CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC000900734860 592112679 /nfs/dbraw/zinc/11/26/79/592112679.db2.gz HWUYYXOTKDXRGO-MRXNPFEDSA-N 2 1 330.432 1.741 20 0 EDADMP CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC000900734860 592112681 /nfs/dbraw/zinc/11/26/81/592112681.db2.gz HWUYYXOTKDXRGO-MRXNPFEDSA-N 2 1 330.432 1.741 20 0 EDADMP Cc1cc(N2CCC([NH2+][C@H]3CCO[C@]34CCOC4)CC2)nc(C)[nH+]1 ZINC000903107355 592120860 /nfs/dbraw/zinc/12/08/60/592120860.db2.gz RTYWZIRAZXXMOU-WMZOPIPTSA-N 2 1 332.448 1.600 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000900816816 592135799 /nfs/dbraw/zinc/13/57/99/592135799.db2.gz CNHSQZNDDQGGGM-ZWKOTPCHSA-N 2 1 338.540 1.591 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000900816816 592135800 /nfs/dbraw/zinc/13/58/00/592135800.db2.gz CNHSQZNDDQGGGM-ZWKOTPCHSA-N 2 1 338.540 1.591 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000900816816 592135801 /nfs/dbraw/zinc/13/58/01/592135801.db2.gz CNHSQZNDDQGGGM-ZWKOTPCHSA-N 2 1 338.540 1.591 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903476175 592176218 /nfs/dbraw/zinc/17/62/18/592176218.db2.gz PDEVJCUHAHDVAC-WNWFYDSVSA-N 2 1 327.375 1.145 20 0 EDADMP CC[C@@H](C)CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562619 592210547 /nfs/dbraw/zinc/21/05/47/592210547.db2.gz QUJZJMJFRLHTHQ-BMFZPTHFSA-N 2 1 329.510 1.263 20 0 EDADMP CC[C@@H](C)CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562619 592210548 /nfs/dbraw/zinc/21/05/48/592210548.db2.gz QUJZJMJFRLHTHQ-BMFZPTHFSA-N 2 1 329.510 1.263 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000901068931 592212214 /nfs/dbraw/zinc/21/22/14/592212214.db2.gz VINHAXNPRKYCSE-ZWKOTPCHSA-N 2 1 345.487 1.395 20 0 EDADMP C[C@@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000906647365 592232902 /nfs/dbraw/zinc/23/29/02/592232902.db2.gz RLXIERXADFLFCQ-INIZCTEOSA-N 2 1 332.492 1.117 20 0 EDADMP C[C@@H](CNC(=O)C1CN(C)CC[NH+](C)C1)[N@H+](C)Cc1ccccc1 ZINC000906647365 592232903 /nfs/dbraw/zinc/23/29/03/592232903.db2.gz RLXIERXADFLFCQ-INIZCTEOSA-N 2 1 332.492 1.117 20 0 EDADMP C[C@@H](CNC(=O)C1CN(C)CC[NH+](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000906647365 592232907 /nfs/dbraw/zinc/23/29/07/592232907.db2.gz RLXIERXADFLFCQ-INIZCTEOSA-N 2 1 332.492 1.117 20 0 EDADMP CS(=O)(=O)N(C1CCC1)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904348546 592236293 /nfs/dbraw/zinc/23/62/93/592236293.db2.gz RNMKNGXCGACORX-LZWOXQAQSA-N 2 1 329.510 1.392 20 0 EDADMP C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C1=CC[N@@H+](C)CC1 ZINC000906663881 592245814 /nfs/dbraw/zinc/24/58/14/592245814.db2.gz IPCDJWRZEQNRCK-ZDUSSCGKSA-N 2 1 344.459 1.586 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)C2)C1 ZINC000906670361 592251611 /nfs/dbraw/zinc/25/16/11/592251611.db2.gz MONSDGYZUDVIQA-IBGZPJMESA-N 2 1 344.459 1.373 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000901134844 592252759 /nfs/dbraw/zinc/25/27/59/592252759.db2.gz IYYDHAIORODDTG-MSOLQXFVSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000901134844 592252763 /nfs/dbraw/zinc/25/27/63/592252763.db2.gz IYYDHAIORODDTG-MSOLQXFVSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000901134844 592252767 /nfs/dbraw/zinc/25/27/67/592252767.db2.gz IYYDHAIORODDTG-MSOLQXFVSA-N 2 1 336.524 1.345 20 0 EDADMP O=C(CC1CCCCC1)N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903725887 592284835 /nfs/dbraw/zinc/28/48/35/592284835.db2.gz IRFCHYGGLSBGOL-AZUAARDMSA-N 2 1 349.519 1.870 20 0 EDADMP NC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903727551 592286232 /nfs/dbraw/zinc/28/62/32/592286232.db2.gz VEHQGGGCBAQCNV-DOTOQJQBSA-N 2 1 329.444 1.230 20 0 EDADMP NC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903727551 592286235 /nfs/dbraw/zinc/28/62/35/592286235.db2.gz VEHQGGGCBAQCNV-DOTOQJQBSA-N 2 1 329.444 1.230 20 0 EDADMP C[N@H+](Cc1ccccc1N1CCOCC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732521 592288129 /nfs/dbraw/zinc/28/81/29/592288129.db2.gz FQJXXDWYHVSGPH-ICSRJNTNSA-N 2 1 345.487 1.724 20 0 EDADMP c1ccc(C[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000903746315 592293346 /nfs/dbraw/zinc/29/33/46/592293346.db2.gz XRLPKGALYJQNMR-XGXHKWSGSA-N 2 1 331.460 1.830 20 0 EDADMP c1ccc(C[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000903746315 592293350 /nfs/dbraw/zinc/29/33/50/592293350.db2.gz XRLPKGALYJQNMR-XGXHKWSGSA-N 2 1 331.460 1.830 20 0 EDADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000903737619 592300366 /nfs/dbraw/zinc/30/03/66/592300366.db2.gz TXTFTTMEOPRLDU-GJYPPUQNSA-N 2 1 345.491 1.910 20 0 EDADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000903737619 592300371 /nfs/dbraw/zinc/30/03/71/592300371.db2.gz TXTFTTMEOPRLDU-GJYPPUQNSA-N 2 1 345.491 1.910 20 0 EDADMP N[C@]1(c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)C[C@H]1c1ccccc1 ZINC000904640008 592301530 /nfs/dbraw/zinc/30/15/30/592301530.db2.gz XIWIBQPNIPQMJW-YRBFXIGRSA-N 2 1 326.400 1.947 20 0 EDADMP Cc1nc(CN(C)[C@@H]2CC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903741691 592302791 /nfs/dbraw/zinc/30/27/91/592302791.db2.gz RLYIZXSELULUJT-HZPDHXFCSA-N 2 1 349.479 1.043 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903742008 592304623 /nfs/dbraw/zinc/30/46/23/592304623.db2.gz UJUJHCSSXONNJB-SCTDSRPQSA-N 2 1 330.476 1.892 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)[nH+]1 ZINC000903742008 592304627 /nfs/dbraw/zinc/30/46/27/592304627.db2.gz UJUJHCSSXONNJB-SCTDSRPQSA-N 3 1 330.476 1.892 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)[nH+]1 ZINC000903742008 592304632 /nfs/dbraw/zinc/30/46/32/592304632.db2.gz UJUJHCSSXONNJB-SCTDSRPQSA-N 3 1 330.476 1.892 20 0 EDADMP C[C@@H]1CCC[N@H+](CCS(=O)(=O)Nc2ccccc2)[C@@H]1CC[NH3+] ZINC000903768230 592309968 /nfs/dbraw/zinc/30/99/68/592309968.db2.gz MIQJRMSSIPYNSU-GDBMZVCRSA-N 2 1 325.478 1.878 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCS(=O)(=O)Nc2ccccc2)[C@@H]1CC[NH3+] ZINC000903768230 592309970 /nfs/dbraw/zinc/30/99/70/592309970.db2.gz MIQJRMSSIPYNSU-GDBMZVCRSA-N 2 1 325.478 1.878 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)cc1 ZINC000906722018 592312301 /nfs/dbraw/zinc/31/23/01/592312301.db2.gz PLKFPPXLKWNCPY-CYBMUJFWSA-N 2 1 332.448 1.493 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000903823179 592334564 /nfs/dbraw/zinc/33/45/64/592334564.db2.gz CLEGIZCKHRPYDV-ROUUACIJSA-N 2 1 347.459 1.224 20 0 EDADMP NC[C@@]12CC[C@H]1CC[N@H+]2CCCCN1C(=O)c2ccccc2C1=O ZINC000903852695 592345572 /nfs/dbraw/zinc/34/55/72/592345572.db2.gz BUFOCQGALIEBQF-LIRRHRJNSA-N 2 1 327.428 1.876 20 0 EDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCCCN1C(=O)c2ccccc2C1=O ZINC000903852695 592345578 /nfs/dbraw/zinc/34/55/78/592345578.db2.gz BUFOCQGALIEBQF-LIRRHRJNSA-N 2 1 327.428 1.876 20 0 EDADMP C[N@H+](CCOc1ccc(F)cc1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903877319 592357486 /nfs/dbraw/zinc/35/74/86/592357486.db2.gz MDYSHVGYWWQSIA-OAHLLOKOSA-N 2 1 333.411 1.853 20 0 EDADMP C[N@@H+](CCOc1ccc(F)cc1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903877319 592357490 /nfs/dbraw/zinc/35/74/90/592357490.db2.gz MDYSHVGYWWQSIA-OAHLLOKOSA-N 2 1 333.411 1.853 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000903881367 592360899 /nfs/dbraw/zinc/36/08/99/592360899.db2.gz ZEOIQPVZSKMTSV-QGZVFWFLSA-N 3 1 332.496 1.510 20 0 EDADMP OC[C@@]1([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000903902692 592371358 /nfs/dbraw/zinc/37/13/58/592371358.db2.gz MNDOHNJTSQYRKV-YJBOKZPZSA-N 2 1 327.432 1.126 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cnn1C ZINC000903908300 592373328 /nfs/dbraw/zinc/37/33/28/592373328.db2.gz GHJACAGJZXPSKP-ZWKOTPCHSA-N 2 1 327.476 1.806 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000903909283 592373470 /nfs/dbraw/zinc/37/34/70/592373470.db2.gz DKPVJWLSTXPCCO-LAUBAEHRSA-N 3 1 342.531 1.790 20 0 EDADMP CNC(=O)c1ccn([C@@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903913224 592375830 /nfs/dbraw/zinc/37/58/30/592375830.db2.gz BLEZSYODDQPKJJ-WTXIUTQJSA-N 2 1 331.464 1.410 20 0 EDADMP C[C@H](CCNC(=O)C1CN(C)CC[N@@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000906877781 592379674 /nfs/dbraw/zinc/37/96/74/592379674.db2.gz BPZPLSXYDNBPED-QGZVFWFLSA-N 2 1 346.519 1.507 20 0 EDADMP C[C@H](CCNC(=O)C1CN(C)CC[NH+](C)C1)[N@H+](C)Cc1ccccc1 ZINC000906877781 592379677 /nfs/dbraw/zinc/37/96/77/592379677.db2.gz BPZPLSXYDNBPED-QGZVFWFLSA-N 2 1 346.519 1.507 20 0 EDADMP C[C@H](CCNC(=O)C1CN(C)CC[NH+](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000906877781 592379681 /nfs/dbraw/zinc/37/96/81/592379681.db2.gz BPZPLSXYDNBPED-QGZVFWFLSA-N 2 1 346.519 1.507 20 0 EDADMP CC(=O)Nc1cccc(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903923669 592379804 /nfs/dbraw/zinc/37/98/04/592379804.db2.gz ZVFWYYOKVXHCLK-MRXNPFEDSA-N 2 1 328.420 1.451 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@]2(CO)CCOc3ccccc32)cnn1C ZINC000903925014 592379947 /nfs/dbraw/zinc/37/99/47/592379947.db2.gz BIRNGJXHTSWGJI-KXBFYZLASA-N 2 1 344.459 1.106 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]1C(=O)N1CCOCC1 ZINC000903931632 592383959 /nfs/dbraw/zinc/38/39/59/592383959.db2.gz GOVNMIIDXQQDJJ-DNVCBOLYSA-N 2 1 343.471 1.259 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000908207325 592384894 /nfs/dbraw/zinc/38/48/94/592384894.db2.gz XQJNCGSLESUMAZ-QGZVFWFLSA-N 2 1 336.455 1.038 20 0 EDADMP COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903956125 592395929 /nfs/dbraw/zinc/39/59/29/592395929.db2.gz HGZQSBVRZIGJHM-ZDUSSCGKSA-N 2 1 328.359 1.573 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C2 ZINC000903978489 592399550 /nfs/dbraw/zinc/39/95/50/592399550.db2.gz HFLVJXYQOGVEEG-DAYGRLMNSA-N 2 1 341.415 1.184 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903977509 592399727 /nfs/dbraw/zinc/39/97/27/592399727.db2.gz REHCOBDBGSQGJS-GDBMZVCRSA-N 2 1 349.475 1.627 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(N3CCCC3)nc1)C2 ZINC000903978941 592400607 /nfs/dbraw/zinc/40/06/07/592400607.db2.gz PBDOYBYXRALHIH-FCEWJHQRSA-N 2 1 344.459 1.394 20 0 EDADMP O=C(NCC[NH+]1CCCCC1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000905151078 592440037 /nfs/dbraw/zinc/44/00/37/592440037.db2.gz QLWFWJOPNBNMHQ-LSDHHAIUSA-N 2 1 326.510 1.351 20 0 EDADMP C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904338199 592475511 /nfs/dbraw/zinc/47/55/11/592475511.db2.gz OCVWQBXZAOEUFK-JGZJWPJOSA-N 2 1 327.226 1.452 20 0 EDADMP [NH3+]C1(c2noc(CCC[NH+]3CCN(c4ccccc4)CC3)n2)CC1 ZINC000905321776 592497072 /nfs/dbraw/zinc/49/70/72/592497072.db2.gz MLORZEWTTKWGEV-UHFFFAOYSA-N 2 1 327.432 1.772 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000907089772 592516039 /nfs/dbraw/zinc/51/60/39/592516039.db2.gz GNHFGVNUPSPFSB-XLAORIBOSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC000908503359 592523263 /nfs/dbraw/zinc/52/32/63/592523263.db2.gz IMIQOUNZQQMXFA-QGZVFWFLSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC000908503359 592523265 /nfs/dbraw/zinc/52/32/65/592523265.db2.gz IMIQOUNZQQMXFA-QGZVFWFLSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC000908503359 592523266 /nfs/dbraw/zinc/52/32/66/592523266.db2.gz IMIQOUNZQQMXFA-QGZVFWFLSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c1ccccc1F)C2 ZINC000905503040 592546328 /nfs/dbraw/zinc/54/63/28/592546328.db2.gz MUEXGYNFVXPWHT-QQXKLLMISA-N 2 1 336.451 1.928 20 0 EDADMP C[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000907285857 592584665 /nfs/dbraw/zinc/58/46/65/592584665.db2.gz OUGICXJNDSAHFZ-HZPDHXFCSA-N 2 1 347.507 1.828 20 0 EDADMP Cc1nc(-c2cccnc2)nc(NCC[NH+]2CCC([NH3+])CC2)c1C ZINC000905705044 592617791 /nfs/dbraw/zinc/61/77/91/592617791.db2.gz LMJXXMRSNZSGFH-UHFFFAOYSA-N 2 1 326.448 1.990 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000907745473 592769033 /nfs/dbraw/zinc/76/90/33/592769033.db2.gz ZAYITXVZZFEEBM-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000907745473 592769035 /nfs/dbraw/zinc/76/90/35/592769035.db2.gz ZAYITXVZZFEEBM-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000911925925 593034151 /nfs/dbraw/zinc/03/41/51/593034151.db2.gz LNENBXSQZUXXMC-GOSISDBHSA-N 2 1 345.491 1.830 20 0 EDADMP C[C@@H]1CN(C(=S)NCC[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000840811072 593155831 /nfs/dbraw/zinc/15/58/31/593155831.db2.gz YNKQHVJVMIWCLM-INIZCTEOSA-N 2 1 334.533 1.876 20 0 EDADMP CN1CC[NH+](CC2(C)CC[NH+](CN3C[C@@H]4CCC[C@H]4C3=O)CC2)CC1 ZINC000840046039 593414885 /nfs/dbraw/zinc/41/48/85/593414885.db2.gz LTPINOVZHJLQDR-ZWKOTPCHSA-N 2 1 348.535 1.552 20 0 EDADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1Cn1cccn1 ZINC000817982905 593653431 /nfs/dbraw/zinc/65/34/31/593653431.db2.gz WBXRQUHRWQYCMO-QAPCUYQASA-N 2 1 344.459 1.969 20 0 EDADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)CC[NH2+]CC2 ZINC000818340228 593693795 /nfs/dbraw/zinc/69/37/95/593693795.db2.gz JZXDBMDFXQPHAN-LBPRGKRZSA-N 2 1 343.431 1.671 20 0 EDADMP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000818986030 593732476 /nfs/dbraw/zinc/73/24/76/593732476.db2.gz DEHKWULQBZFXJC-ZWKOTPCHSA-N 2 1 346.475 1.534 20 0 EDADMP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000818986030 593732477 /nfs/dbraw/zinc/73/24/77/593732477.db2.gz DEHKWULQBZFXJC-ZWKOTPCHSA-N 2 1 346.475 1.534 20 0 EDADMP Cc1ccc([C@@H](O)C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000818998616 593733150 /nfs/dbraw/zinc/73/31/50/593733150.db2.gz SYTLHGHQGVFXNZ-MSOLQXFVSA-N 2 1 333.476 1.561 20 0 EDADMP Cc1ccc([C@@H](O)C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000818998616 593733151 /nfs/dbraw/zinc/73/31/51/593733151.db2.gz SYTLHGHQGVFXNZ-MSOLQXFVSA-N 2 1 333.476 1.561 20 0 EDADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000820810101 593894782 /nfs/dbraw/zinc/89/47/82/593894782.db2.gz OVUPCKSECOQTQS-LPHOPBHVSA-N 3 1 346.519 1.986 20 0 EDADMP C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000820810101 593894784 /nfs/dbraw/zinc/89/47/84/593894784.db2.gz OVUPCKSECOQTQS-LPHOPBHVSA-N 2 1 346.519 1.986 20 0 EDADMP C[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000820810101 593894787 /nfs/dbraw/zinc/89/47/87/593894787.db2.gz OVUPCKSECOQTQS-LPHOPBHVSA-N 2 1 346.519 1.986 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254864 593999224 /nfs/dbraw/zinc/99/92/24/593999224.db2.gz PAUUYCSTYXYLNB-GOEBONIOSA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254864 593999226 /nfs/dbraw/zinc/99/92/26/593999226.db2.gz PAUUYCSTYXYLNB-GOEBONIOSA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254864 593999228 /nfs/dbraw/zinc/99/92/28/593999228.db2.gz PAUUYCSTYXYLNB-GOEBONIOSA-N 2 1 344.463 1.908 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ncc1F ZINC000824817757 594079353 /nfs/dbraw/zinc/07/93/53/594079353.db2.gz AMCZWLHKTBENPY-NSHDSACASA-N 2 1 330.835 1.876 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ncc1F ZINC000824817757 594079352 /nfs/dbraw/zinc/07/93/52/594079352.db2.gz AMCZWLHKTBENPY-NSHDSACASA-N 2 1 330.835 1.876 20 0 EDADMP Cn1nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1Cl ZINC000822721743 594091629 /nfs/dbraw/zinc/09/16/29/594091629.db2.gz YWPBXUVZAFBVIM-UHFFFAOYSA-N 2 1 334.811 1.473 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000822897171 594118809 /nfs/dbraw/zinc/11/88/09/594118809.db2.gz BPWLATFKUIFAES-GOSISDBHSA-N 2 1 339.524 1.801 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@@H]1C ZINC000825803347 594251095 /nfs/dbraw/zinc/25/10/95/594251095.db2.gz SUWWSIAPRQIERY-YYIAUSFCSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H]1C ZINC000825803347 594251096 /nfs/dbraw/zinc/25/10/96/594251096.db2.gz SUWWSIAPRQIERY-YYIAUSFCSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1C ZINC000825803347 594251097 /nfs/dbraw/zinc/25/10/97/594251097.db2.gz SUWWSIAPRQIERY-YYIAUSFCSA-N 2 1 338.496 1.364 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000826331097 594429218 /nfs/dbraw/zinc/42/92/18/594429218.db2.gz UUHMNJWSXYVNOV-UHFFFAOYSA-N 2 1 341.419 1.773 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000826331097 594429220 /nfs/dbraw/zinc/42/92/20/594429220.db2.gz UUHMNJWSXYVNOV-UHFFFAOYSA-N 2 1 341.419 1.773 20 0 EDADMP Cc1c(C(=O)NCCn2cc[nH+]c2C(C)C)nnn1C1CC[NH2+]CC1 ZINC000828966152 594539188 /nfs/dbraw/zinc/53/91/88/594539188.db2.gz YOWUTDGUTPEKDR-UHFFFAOYSA-N 2 1 345.451 1.261 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)N1CC[NH+](C)CC1 ZINC000826667330 594550675 /nfs/dbraw/zinc/55/06/75/594550675.db2.gz LTLIDPPHIJAPPW-AEFFLSMTSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)N1CC[NH+](C)CC1 ZINC000826667330 594550677 /nfs/dbraw/zinc/55/06/77/594550677.db2.gz LTLIDPPHIJAPPW-AEFFLSMTSA-N 2 1 336.524 1.536 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C[C@@H]1C ZINC000826879817 594593898 /nfs/dbraw/zinc/59/38/98/594593898.db2.gz NJBGUMOALYRUML-XHSDSOJGSA-N 2 1 338.496 1.387 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C[C@@H]1C ZINC000826879817 594593901 /nfs/dbraw/zinc/59/39/01/594593901.db2.gz NJBGUMOALYRUML-XHSDSOJGSA-N 2 1 338.496 1.387 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C[C@@H]1C ZINC000826879817 594593902 /nfs/dbraw/zinc/59/39/02/594593902.db2.gz NJBGUMOALYRUML-XHSDSOJGSA-N 2 1 338.496 1.387 20 0 EDADMP [NH3+][C@H](CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000826993589 594619096 /nfs/dbraw/zinc/61/90/96/594619096.db2.gz QZCXDYBNKIIJLG-QGZVFWFLSA-N 2 1 334.439 1.191 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000827166115 594649936 /nfs/dbraw/zinc/64/99/36/594649936.db2.gz MFCBLTJZMCJIGI-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000827166115 594649937 /nfs/dbraw/zinc/64/99/37/594649937.db2.gz MFCBLTJZMCJIGI-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000827166115 594649938 /nfs/dbraw/zinc/64/99/38/594649938.db2.gz MFCBLTJZMCJIGI-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP [NH3+]CCOc1ccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000841323907 594885112 /nfs/dbraw/zinc/88/51/12/594885112.db2.gz DKDFEDQEIUSCGG-HOCLYGCPSA-N 2 1 334.420 1.009 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000841790498 594953541 /nfs/dbraw/zinc/95/35/41/594953541.db2.gz YIPDEHFSPLHLME-JKSUJKDBSA-N 2 1 336.480 1.025 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841856538 594966408 /nfs/dbraw/zinc/96/64/08/594966408.db2.gz RWJLWKDMSXFOGH-GOSISDBHSA-N 2 1 332.492 1.965 20 0 EDADMP C[C@]1(CNC(=O)N[C@@H](C[NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841898523 594976852 /nfs/dbraw/zinc/97/68/52/594976852.db2.gz MUWSEVOORCRWRV-PKOBYXMFSA-N 2 1 330.476 1.935 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2nnc(C3CC3)s2)C1 ZINC000842037857 595007199 /nfs/dbraw/zinc/00/71/99/595007199.db2.gz BSIPTKFWWJFQRQ-NSHDSACASA-N 2 1 325.438 1.523 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2nnc(C3CC3)s2)C1 ZINC000842037857 595007202 /nfs/dbraw/zinc/00/72/02/595007202.db2.gz BSIPTKFWWJFQRQ-NSHDSACASA-N 2 1 325.438 1.523 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(N)=NOCC[NH+](C)Cc2ccccc2)C1 ZINC000842040521 595007886 /nfs/dbraw/zinc/00/78/86/595007886.db2.gz ZFARBTGMUHOMGJ-KRWDZBQOSA-N 2 1 334.464 1.726 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(N)=NOCC[NH+](C)Cc2ccccc2)C1 ZINC000842040521 595007888 /nfs/dbraw/zinc/00/78/88/595007888.db2.gz ZFARBTGMUHOMGJ-KRWDZBQOSA-N 2 1 334.464 1.726 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(N)=NOCC[N@H+](C)Cc2ccccc2)C1 ZINC000842040521 595007890 /nfs/dbraw/zinc/00/78/90/595007890.db2.gz ZFARBTGMUHOMGJ-KRWDZBQOSA-N 2 1 334.464 1.726 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(N)=NOCC[N@@H+](C)Cc2ccccc2)C1 ZINC000842040521 595007892 /nfs/dbraw/zinc/00/78/92/595007892.db2.gz ZFARBTGMUHOMGJ-KRWDZBQOSA-N 2 1 334.464 1.726 20 0 EDADMP CN1C(=O)c2ccc(NC(=O)C[N@@H+](C)C3CCC([NH3+])CC3)cc2C1=O ZINC000843354055 595084254 /nfs/dbraw/zinc/08/42/54/595084254.db2.gz UZBUYDYPYMQEPH-UHFFFAOYSA-N 2 1 344.415 1.053 20 0 EDADMP C[N@@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C1CCC([NH3+])CC1 ZINC000843355384 595085493 /nfs/dbraw/zinc/08/54/93/595085493.db2.gz MORDCHULSNVJMA-ABHNRTSZSA-N 2 1 349.450 1.927 20 0 EDADMP Cn1c2nnc(C[N@@H+](C)C3CCC([NH3+])CC3)n2c2ccsc2c1=O ZINC000843355544 595085542 /nfs/dbraw/zinc/08/55/42/595085542.db2.gz USRIPOVKWQHHJI-UHFFFAOYSA-N 2 1 346.460 1.344 20 0 EDADMP O=C(CO[C@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000843508573 595136781 /nfs/dbraw/zinc/13/67/81/595136781.db2.gz XTLARJACZRAGCT-GBESFXJTSA-N 2 1 343.471 1.488 20 0 EDADMP C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](c2ccccc2)C1 ZINC000844049376 595258481 /nfs/dbraw/zinc/25/84/81/595258481.db2.gz MWYWERGDLBDGIQ-MSOLQXFVSA-N 2 1 331.460 1.170 20 0 EDADMP C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](c2ccccc2)C1 ZINC000844049376 595258483 /nfs/dbraw/zinc/25/84/83/595258483.db2.gz MWYWERGDLBDGIQ-MSOLQXFVSA-N 2 1 331.460 1.170 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C2 ZINC000843111062 595288768 /nfs/dbraw/zinc/28/87/68/595288768.db2.gz CNQCMPBAUXCQCG-MAUKXSAKSA-N 2 1 333.407 1.503 20 0 EDADMP C[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000844172987 595291505 /nfs/dbraw/zinc/29/15/05/595291505.db2.gz LPPNCJVMCUWSDK-UKRRQHHQSA-N 2 1 337.489 1.380 20 0 EDADMP C[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000844172987 595291506 /nfs/dbraw/zinc/29/15/06/595291506.db2.gz LPPNCJVMCUWSDK-UKRRQHHQSA-N 2 1 337.489 1.380 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)cc1F ZINC000844175698 595292595 /nfs/dbraw/zinc/29/25/95/595292595.db2.gz LMLFWGYZUJUOIB-OAHLLOKOSA-N 2 1 346.406 1.705 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(F)c(N)c2)CC1 ZINC000844190809 595298080 /nfs/dbraw/zinc/29/80/80/595298080.db2.gz BBNLWISFCIRLMD-UHFFFAOYSA-N 2 1 329.379 1.807 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000844217819 595305142 /nfs/dbraw/zinc/30/51/42/595305142.db2.gz NYMJZSPXLOARIH-UHFFFAOYSA-N 2 1 346.475 1.536 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000848518034 595401454 /nfs/dbraw/zinc/40/14/54/595401454.db2.gz GPQVQEAKMGTEQB-PBHICJAKSA-N 2 1 326.387 1.841 20 0 EDADMP CCOC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000848545825 595403996 /nfs/dbraw/zinc/40/39/96/595403996.db2.gz LAGQCCKUIFHBOP-HZPDHXFCSA-N 2 1 325.453 1.450 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000847409296 595413469 /nfs/dbraw/zinc/41/34/69/595413469.db2.gz SCIUECLBYCIGDB-ZWKOTPCHSA-N 2 1 331.460 1.384 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)cn1 ZINC000848596018 595414028 /nfs/dbraw/zinc/41/40/28/595414028.db2.gz QUGQTGTUVBRQBK-NSHDSACASA-N 2 1 342.325 1.265 20 0 EDADMP [NH2+]=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1)OCCCO2 ZINC000849073765 595478465 /nfs/dbraw/zinc/47/84/65/595478465.db2.gz BQVUUAOJHKFGCX-GJZGRUSLSA-N 2 1 346.431 1.647 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849084895 595479322 /nfs/dbraw/zinc/47/93/22/595479322.db2.gz AGBSXESVJGMJNE-AWEZNQCLSA-N 2 1 330.354 1.386 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000850579815 595536369 /nfs/dbraw/zinc/53/63/69/595536369.db2.gz BAESZVASVKOJEQ-CZUORRHYSA-N 2 1 344.377 1.980 20 0 EDADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849517931 595557102 /nfs/dbraw/zinc/55/71/02/595557102.db2.gz FRZFNDSTSWBMLE-ROUUACIJSA-N 2 1 347.507 1.256 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCCCC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849540370 595559842 /nfs/dbraw/zinc/55/98/42/595559842.db2.gz FIGCIYOEPXEPNE-MSOLQXFVSA-N 2 1 349.523 1.692 20 0 EDADMP [NH3+][C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000852877331 595594163 /nfs/dbraw/zinc/59/41/63/595594163.db2.gz GDJOAVLXZDBBFU-USXIJHARSA-N 2 1 331.366 1.918 20 0 EDADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852895865 595603638 /nfs/dbraw/zinc/60/36/38/595603638.db2.gz LGFNCSRZXPXQPA-MPTYRVRUSA-N 2 1 344.459 1.600 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnn(-c2ccccc2)n1 ZINC000855346367 595680245 /nfs/dbraw/zinc/68/02/45/595680245.db2.gz YWFVZERAKSWTGP-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnn(-c2ccccc2)n1 ZINC000855346367 595680247 /nfs/dbraw/zinc/68/02/47/595680247.db2.gz YWFVZERAKSWTGP-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000851951896 595983846 /nfs/dbraw/zinc/98/38/46/595983846.db2.gz GVBQHRHUVFIQDW-JYJNAYRXSA-N 2 1 329.485 1.534 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H]3CCCN(C)C3=O)C2)ccn1 ZINC000856585361 596022083 /nfs/dbraw/zinc/02/20/83/596022083.db2.gz COUDMKBSJILZKT-ZWKOTPCHSA-N 2 1 346.475 1.607 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)ccn1 ZINC000856585361 596022087 /nfs/dbraw/zinc/02/20/87/596022087.db2.gz COUDMKBSJILZKT-ZWKOTPCHSA-N 2 1 346.475 1.607 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)ccn1 ZINC000856585361 596022091 /nfs/dbraw/zinc/02/20/91/596022091.db2.gz COUDMKBSJILZKT-ZWKOTPCHSA-N 2 1 346.475 1.607 20 0 EDADMP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000861626664 596050639 /nfs/dbraw/zinc/05/06/39/596050639.db2.gz RXYSZVKFJXCFKA-GDBMZVCRSA-N 2 1 336.505 1.593 20 0 EDADMP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000861626664 596050643 /nfs/dbraw/zinc/05/06/43/596050643.db2.gz RXYSZVKFJXCFKA-GDBMZVCRSA-N 2 1 336.505 1.593 20 0 EDADMP Cn1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(Cl)n1 ZINC000856793975 596083240 /nfs/dbraw/zinc/08/32/40/596083240.db2.gz NGDQASATLHNHAN-INIZCTEOSA-N 2 1 334.851 1.930 20 0 EDADMP Cn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(Cl)n1 ZINC000856793975 596083236 /nfs/dbraw/zinc/08/32/36/596083236.db2.gz NGDQASATLHNHAN-INIZCTEOSA-N 2 1 334.851 1.930 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861745370 596086572 /nfs/dbraw/zinc/08/65/72/596086572.db2.gz JQRCTXIJGXKCEE-RDJZCZTQSA-N 2 1 348.491 1.065 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CC3CCCCC3)CC2)O1 ZINC000857080137 596153464 /nfs/dbraw/zinc/15/34/64/596153464.db2.gz QTZJZLVGWKVXHR-CRAIPNDOSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CC3CCCCC3)CC2)O1 ZINC000857080137 596153467 /nfs/dbraw/zinc/15/34/67/596153467.db2.gz QTZJZLVGWKVXHR-CRAIPNDOSA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CC(C)=NO3)CC2)CC1 ZINC000854801622 596203067 /nfs/dbraw/zinc/20/30/67/596203067.db2.gz DCXDPHLHNKSFKF-KRWDZBQOSA-N 2 1 336.480 1.464 20 0 EDADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)c2)C1 ZINC000857298643 596208101 /nfs/dbraw/zinc/20/81/01/596208101.db2.gz CYLZHCHTJZPSRZ-GBESFXJTSA-N 2 1 343.471 1.387 20 0 EDADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c2)C1 ZINC000857298643 596208104 /nfs/dbraw/zinc/20/81/04/596208104.db2.gz CYLZHCHTJZPSRZ-GBESFXJTSA-N 2 1 343.471 1.387 20 0 EDADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)c2)C1 ZINC000857298643 596208107 /nfs/dbraw/zinc/20/81/07/596208107.db2.gz CYLZHCHTJZPSRZ-GBESFXJTSA-N 2 1 343.471 1.387 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000866674913 596288773 /nfs/dbraw/zinc/28/87/73/596288773.db2.gz JUVUINKXWAQCAS-OWCLPIDISA-N 2 1 346.475 1.377 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000866674913 596288776 /nfs/dbraw/zinc/28/87/76/596288776.db2.gz JUVUINKXWAQCAS-OWCLPIDISA-N 2 1 346.475 1.377 20 0 EDADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866707623 596303231 /nfs/dbraw/zinc/30/32/31/596303231.db2.gz AYLCXVDIFJJUEZ-NXHRZFHOSA-N 2 1 345.443 1.841 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccns3)CC2)CC1 ZINC000862409552 596323102 /nfs/dbraw/zinc/32/31/02/596323102.db2.gz VRQUJYKKFXADGE-UHFFFAOYSA-N 2 1 336.505 1.956 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000870866219 596382437 /nfs/dbraw/zinc/38/24/37/596382437.db2.gz WGGFHIRZYBISQM-UWVAXJGDSA-N 2 1 342.487 1.890 20 0 EDADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)C1CC1 ZINC000870874161 596385640 /nfs/dbraw/zinc/38/56/40/596385640.db2.gz WNJBWPVYXVNWJA-ZDUSSCGKSA-N 2 1 326.238 1.659 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)oc1C ZINC000870885696 596389886 /nfs/dbraw/zinc/38/98/86/596389886.db2.gz KOFOYCZURPIGRD-GJYPPUQNSA-N 2 1 346.475 1.747 20 0 EDADMP Cc1[nH+]ccn1CCOC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000869832653 596655904 /nfs/dbraw/zinc/65/59/04/596655904.db2.gz YZTZTYXBJDCSNE-ZDUSSCGKSA-N 2 1 340.424 1.190 20 0 EDADMP O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000865773215 596678025 /nfs/dbraw/zinc/67/80/25/596678025.db2.gz JXHPBRWZJRSZQN-DLBZAZTESA-N 2 1 342.443 1.455 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868233211 596738078 /nfs/dbraw/zinc/73/80/78/596738078.db2.gz WDQYAKCOSVTGMD-UHOFOFEASA-N 2 1 330.432 1.040 20 0 EDADMP O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000872146153 596809852 /nfs/dbraw/zinc/80/98/52/596809852.db2.gz GYEAUQDXRVPZLY-BRSBDYLESA-N 2 1 337.508 1.508 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)cn1 ZINC000872200241 596832164 /nfs/dbraw/zinc/83/21/64/596832164.db2.gz XQUPPUJGHNCWIH-SJLPKXTDSA-N 2 1 330.432 1.577 20 0 EDADMP Cc1cc(C)c(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1C ZINC000872254518 596855738 /nfs/dbraw/zinc/85/57/38/596855738.db2.gz GHIHCRCBXCZUSP-KSZLIROESA-N 2 1 329.444 1.979 20 0 EDADMP Cc1cccn2c(C[N@@H+]3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cnc12 ZINC000872254707 596855891 /nfs/dbraw/zinc/85/58/91/596855891.db2.gz BZPGZAJPPIZWFP-BMFZPTHFSA-N 2 1 341.415 1.010 20 0 EDADMP Cc1cccn2c(C[N@H+]3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cnc12 ZINC000872254707 596855892 /nfs/dbraw/zinc/85/58/92/596855892.db2.gz BZPGZAJPPIZWFP-BMFZPTHFSA-N 2 1 341.415 1.010 20 0 EDADMP CCOc1cccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872255432 596856709 /nfs/dbraw/zinc/85/67/09/596856709.db2.gz WWRGKUZKBHMMCF-UAGQMJEPSA-N 2 1 331.416 1.452 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1F ZINC000872256881 596857254 /nfs/dbraw/zinc/85/72/54/596857254.db2.gz DTAOIFIKEGGGMY-GUTXKFCHSA-N 2 1 335.379 1.201 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1F ZINC000872256881 596857256 /nfs/dbraw/zinc/85/72/56/596857256.db2.gz DTAOIFIKEGGGMY-GUTXKFCHSA-N 2 1 335.379 1.201 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875592670 596908491 /nfs/dbraw/zinc/90/84/91/596908491.db2.gz NTMVUXNJMOEXJS-GVDBMIGSSA-N 3 1 341.544 1.096 20 0 EDADMP COc1ccc(Cn2cc(CNC[C@@H]3CCC[N@@H+](C)C3)nn2)cc1 ZINC000873048041 597170938 /nfs/dbraw/zinc/17/09/38/597170938.db2.gz NIXOGBKUPMAAAM-INIZCTEOSA-N 2 1 329.448 1.766 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCCN1Cc1ccccn1 ZINC000874838666 597192380 /nfs/dbraw/zinc/19/23/80/597192380.db2.gz QSRUVSCBJXMBFS-RCCFBDPRSA-N 2 1 328.460 1.741 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)C1 ZINC000873206000 597226985 /nfs/dbraw/zinc/22/69/85/597226985.db2.gz YMONBDAPXAICPF-INIZCTEOSA-N 2 1 334.533 1.606 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)C1 ZINC000876520246 597228561 /nfs/dbraw/zinc/22/85/61/597228561.db2.gz GXOQLNNBDUGQIJ-CQSZACIVSA-N 2 1 345.443 1.876 20 0 EDADMP c1c(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)sc2c1C[NH2+]CC2 ZINC000873210285 597228676 /nfs/dbraw/zinc/22/86/76/597228676.db2.gz AVNAGSXPCSHNDZ-HNNXBMFYSA-N 2 1 335.517 1.938 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)CN2)CC[NH2+]CC1 ZINC000873233984 597235334 /nfs/dbraw/zinc/23/53/34/597235334.db2.gz AQHGZHIEPJCNOA-CABCVRRESA-N 2 1 325.497 1.676 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)CC[NH2+]CC1 ZINC000873233984 597235336 /nfs/dbraw/zinc/23/53/36/597235336.db2.gz AQHGZHIEPJCNOA-CABCVRRESA-N 3 1 325.497 1.676 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[NH+]1CCC[C@H](C)C1 ZINC000875071774 597269768 /nfs/dbraw/zinc/26/97/68/597269768.db2.gz MTMJEMRBCSKMSA-JYJNAYRXSA-N 2 1 340.512 1.251 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000875071774 597269769 /nfs/dbraw/zinc/26/97/69/597269769.db2.gz MTMJEMRBCSKMSA-JYJNAYRXSA-N 2 1 340.512 1.251 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)[N@H+]1CCC[C@H](C)C1 ZINC000875071774 597269771 /nfs/dbraw/zinc/26/97/71/597269771.db2.gz MTMJEMRBCSKMSA-JYJNAYRXSA-N 2 1 340.512 1.251 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[NH+]1CCOCC1 ZINC000876716919 597302711 /nfs/dbraw/zinc/30/27/11/597302711.db2.gz QMOLPJBVULCPCN-MJBXVCDLSA-N 2 1 333.423 1.080 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1c(C[NH3+])cnn1C ZINC000876719557 597303108 /nfs/dbraw/zinc/30/31/08/597303108.db2.gz OGKXQYCVLMTVKW-UHFFFAOYSA-N 2 1 329.448 1.649 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000876734955 597313144 /nfs/dbraw/zinc/31/31/44/597313144.db2.gz XEWAIZNAMMBQNF-HZPDHXFCSA-N 2 1 333.480 1.576 20 0 EDADMP CC[N@@H+](CCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)C(C)C ZINC000876750994 597321372 /nfs/dbraw/zinc/32/13/72/597321372.db2.gz ZLTKEKZCFSODKE-NSHDSACASA-N 2 1 344.410 1.210 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000876753962 597322825 /nfs/dbraw/zinc/32/28/25/597322825.db2.gz ABRGFTKQHDZFQC-KGLIPLIRSA-N 2 1 345.365 1.542 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000876753962 597322829 /nfs/dbraw/zinc/32/28/29/597322829.db2.gz ABRGFTKQHDZFQC-KGLIPLIRSA-N 2 1 345.365 1.542 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2cnc(N)s2)CC1 ZINC000876782699 597339093 /nfs/dbraw/zinc/33/90/93/597339093.db2.gz SYWUYGSGEPULET-UHFFFAOYSA-N 2 1 346.460 1.443 20 0 EDADMP C[NH+](C)CC[C@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)C(C)(C)C ZINC000877037074 597418712 /nfs/dbraw/zinc/41/87/12/597418712.db2.gz JNYOVDNLMJBFEU-HNNXBMFYSA-N 2 1 327.494 1.790 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C)C(C)(C)CC2)CCCO1 ZINC000875534363 597468203 /nfs/dbraw/zinc/46/82/03/597468203.db2.gz IMYHCDGJXINLRZ-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N2CC[N@H+](C)C(C)(C)CC2)CCCO1 ZINC000875534363 597468206 /nfs/dbraw/zinc/46/82/06/597468206.db2.gz IMYHCDGJXINLRZ-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CCCO1 ZINC000875534363 597468209 /nfs/dbraw/zinc/46/82/09/597468209.db2.gz IMYHCDGJXINLRZ-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877352541 597498649 /nfs/dbraw/zinc/49/86/49/597498649.db2.gz HJFOYZMSKAVORC-LSDHHAIUSA-N 2 1 343.393 1.757 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000877403097 597510673 /nfs/dbraw/zinc/51/06/73/597510673.db2.gz MZPBHJDWBNRRRI-KRWDZBQOSA-N 2 1 336.524 1.443 20 0 EDADMP COCC[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)NC(=O)OC(C)(C)C ZINC000877545667 597533307 /nfs/dbraw/zinc/53/33/07/597533307.db2.gz KVCUKRNYHTYDOD-CRAIPNDOSA-N 2 1 341.496 1.944 20 0 EDADMP COCC[C@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)NC(=O)OC(C)(C)C ZINC000877545667 597533308 /nfs/dbraw/zinc/53/33/08/597533308.db2.gz KVCUKRNYHTYDOD-CRAIPNDOSA-N 2 1 341.496 1.944 20 0 EDADMP COCC[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)NC(=O)OC(C)(C)C ZINC000877545667 597533309 /nfs/dbraw/zinc/53/33/09/597533309.db2.gz KVCUKRNYHTYDOD-CRAIPNDOSA-N 2 1 341.496 1.944 20 0 EDADMP COCC[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)NC(=O)OC(C)(C)C ZINC000877545667 597533310 /nfs/dbraw/zinc/53/33/10/597533310.db2.gz KVCUKRNYHTYDOD-CRAIPNDOSA-N 2 1 341.496 1.944 20 0 EDADMP COCC[N@@H+](C[C@H](OC)C1CCOCC1)CC1CC[NH+](C)CC1 ZINC000877664530 597545896 /nfs/dbraw/zinc/54/58/96/597545896.db2.gz QKDIYZMYFZLPPB-SFHVURJKSA-N 2 1 328.497 1.718 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](COc3ccccc3)C2)CC1 ZINC000878392935 597599507 /nfs/dbraw/zinc/59/95/07/597599507.db2.gz YVFGOUIODJPCPK-INIZCTEOSA-N 2 1 331.460 1.598 20 0 EDADMP Cc1ccc([C@H](O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000881412230 597607429 /nfs/dbraw/zinc/60/74/29/597607429.db2.gz LWXWLGQNLUPYFG-GOSISDBHSA-N 2 1 329.448 1.286 20 0 EDADMP COC(=O)[C@@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H]1C ZINC000878492439 597612495 /nfs/dbraw/zinc/61/24/95/597612495.db2.gz ITYPUWMJINGOMQ-KVSKMBFKSA-N 2 1 332.444 1.507 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H]1C ZINC000878492439 597612499 /nfs/dbraw/zinc/61/24/99/597612499.db2.gz ITYPUWMJINGOMQ-KVSKMBFKSA-N 2 1 332.444 1.507 20 0 EDADMP COC(=O)[C@@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000878492439 597612500 /nfs/dbraw/zinc/61/25/00/597612500.db2.gz ITYPUWMJINGOMQ-KVSKMBFKSA-N 2 1 332.444 1.507 20 0 EDADMP COC(=O)[C@@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000878492439 597612503 /nfs/dbraw/zinc/61/25/03/597612503.db2.gz ITYPUWMJINGOMQ-KVSKMBFKSA-N 2 1 332.444 1.507 20 0 EDADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@@H]21 ZINC000879574538 597637574 /nfs/dbraw/zinc/63/75/74/597637574.db2.gz BDFUQKGAVOHEHW-HOCLYGCPSA-N 2 1 330.432 1.140 20 0 EDADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@@H]21 ZINC000879574538 597637575 /nfs/dbraw/zinc/63/75/75/597637575.db2.gz BDFUQKGAVOHEHW-HOCLYGCPSA-N 2 1 330.432 1.140 20 0 EDADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@@H]21 ZINC000879574538 597637576 /nfs/dbraw/zinc/63/75/76/597637576.db2.gz BDFUQKGAVOHEHW-HOCLYGCPSA-N 2 1 330.432 1.140 20 0 EDADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@@H]21 ZINC000879574538 597637578 /nfs/dbraw/zinc/63/75/78/597637578.db2.gz BDFUQKGAVOHEHW-HOCLYGCPSA-N 2 1 330.432 1.140 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883133848 597662602 /nfs/dbraw/zinc/66/26/02/597662602.db2.gz JMNAFUGBWHEPAB-NUJGCVRESA-N 2 1 343.475 1.929 20 0 EDADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000881627275 597663559 /nfs/dbraw/zinc/66/35/59/597663559.db2.gz XBVYVJZUERVUDX-SFHVURJKSA-N 2 1 348.535 1.633 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](CC(=O)NC3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000878657336 597669162 /nfs/dbraw/zinc/66/91/62/597669162.db2.gz JRBFLUTZEYRATH-MRXNPFEDSA-N 2 1 333.480 1.056 20 0 EDADMP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)CC2(CO)CCCC2)CC1 ZINC000878668168 597672894 /nfs/dbraw/zinc/67/28/94/597672894.db2.gz NNJWEVHQVXTDAO-MRXNPFEDSA-N 2 1 328.497 1.115 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2COc2ccccc2)CC1 ZINC000878666905 597672970 /nfs/dbraw/zinc/67/29/70/597672970.db2.gz WQVNAXQKRCEMGN-KRWDZBQOSA-N 2 1 331.460 1.740 20 0 EDADMP Brc1ccccc1CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000883428117 597743307 /nfs/dbraw/zinc/74/33/07/597743307.db2.gz MDMSGXSQQSWINZ-HNNXBMFYSA-N 2 1 338.293 1.971 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2nsc3ccccc23)C1 ZINC000883438847 597747317 /nfs/dbraw/zinc/74/73/17/597747317.db2.gz DNGFEGIDPQOQQC-TUKIKUTGSA-N 2 1 344.440 1.663 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2nsc3ccccc23)C1 ZINC000883438847 597747318 /nfs/dbraw/zinc/74/73/18/597747318.db2.gz DNGFEGIDPQOQQC-TUKIKUTGSA-N 2 1 344.440 1.663 20 0 EDADMP c1nnnn1CC[N@@H+]1C[C@@H]2CC[C@H]1[C@@H]1C[NH+](Cc3ccccc3)C[C@H]12 ZINC000878891793 597748435 /nfs/dbraw/zinc/74/84/35/597748435.db2.gz LDYRCHWMAWZIKF-OKYOBFRVSA-N 2 1 338.459 1.516 20 0 EDADMP c1nnnn1CC[N@H+]1C[C@@H]2CC[C@H]1[C@@H]1C[NH+](Cc3ccccc3)C[C@H]12 ZINC000878891793 597748437 /nfs/dbraw/zinc/74/84/37/597748437.db2.gz LDYRCHWMAWZIKF-OKYOBFRVSA-N 2 1 338.459 1.516 20 0 EDADMP c1nnnn1CC[NH+]1C[C@@H]2CC[C@H]1[C@@H]1C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000878891793 597748438 /nfs/dbraw/zinc/74/84/38/597748438.db2.gz LDYRCHWMAWZIKF-OKYOBFRVSA-N 2 1 338.459 1.516 20 0 EDADMP c1nnnn1CC[NH+]1C[C@@H]2CC[C@H]1[C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000878891793 597748439 /nfs/dbraw/zinc/74/84/39/597748439.db2.gz LDYRCHWMAWZIKF-OKYOBFRVSA-N 2 1 338.459 1.516 20 0 EDADMP O[C@]12C[C@H]1C[NH+](CC(C[N@H+]1CC[C@@]3(O)C[C@H]3C1)C1CCCC1)CC2 ZINC000878950617 597764834 /nfs/dbraw/zinc/76/48/34/597764834.db2.gz YDBBFDVOUIDGKP-VNTMZGSJSA-N 2 1 334.504 1.706 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)CC2(CO)CCCC2)CCO1 ZINC000879001369 597781182 /nfs/dbraw/zinc/78/11/82/597781182.db2.gz VPXLFQJSQLYHKH-IRXDYDNUSA-N 2 1 328.497 1.333 20 0 EDADMP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000880062602 597827019 /nfs/dbraw/zinc/82/70/19/597827019.db2.gz PPJVUSOMQWFKFW-OLZOCXBDSA-N 2 1 337.386 1.192 20 0 EDADMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000880062602 597827021 /nfs/dbraw/zinc/82/70/21/597827021.db2.gz PPJVUSOMQWFKFW-OLZOCXBDSA-N 2 1 337.386 1.192 20 0 EDADMP C[C@@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249223 597864666 /nfs/dbraw/zinc/86/46/66/597864666.db2.gz JIURLIKGZZYPJV-ZDUSSCGKSA-N 2 1 333.484 1.389 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(N)=O)cc2)CCN1c1cc[nH+]cc1 ZINC000880263643 597886969 /nfs/dbraw/zinc/88/69/69/597886969.db2.gz ZITKDOASCOMGAF-OAHLLOKOSA-N 2 1 340.427 1.656 20 0 EDADMP COc1cccc(C[NH+]2CCN(C[C@@H](O)C[N@H+](C)C3CC3)CC2)c1 ZINC000879450097 597920810 /nfs/dbraw/zinc/92/08/10/597920810.db2.gz ZTGJHSNHEQFBGK-SFHVURJKSA-N 2 1 333.476 1.268 20 0 EDADMP COc1cccc(C[NH+]2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)CC2)c1 ZINC000879450097 597920812 /nfs/dbraw/zinc/92/08/12/597920812.db2.gz ZTGJHSNHEQFBGK-SFHVURJKSA-N 2 1 333.476 1.268 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)C1CC1 ZINC000884128560 598003207 /nfs/dbraw/zinc/00/32/07/598003207.db2.gz HDADSJWIQAEOKW-OAHLLOKOSA-N 2 1 331.464 1.786 20 0 EDADMP CC1(C)C[NH2+]C[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000884186822 598018964 /nfs/dbraw/zinc/01/89/64/598018964.db2.gz KSZIOCXXWUQRCL-KRWDZBQOSA-N 2 1 331.460 1.381 20 0 EDADMP C[C@@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000884188340 598020142 /nfs/dbraw/zinc/02/01/42/598020142.db2.gz FPFLHUSILKGDOX-CVEARBPZSA-N 2 1 345.491 1.341 20 0 EDADMP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000884229562 598037611 /nfs/dbraw/zinc/03/76/11/598037611.db2.gz UJKDLBUPFNBMTK-ZOBUZTSGSA-N 2 1 347.463 1.021 20 0 EDADMP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000884229562 598037614 /nfs/dbraw/zinc/03/76/14/598037614.db2.gz UJKDLBUPFNBMTK-ZOBUZTSGSA-N 2 1 347.463 1.021 20 0 EDADMP C[C@@H](NC(=O)NCCCCCCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000129997305 598041920 /nfs/dbraw/zinc/04/19/20/598041920.db2.gz GRMGFXRVNXFIDP-CVEARBPZSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@@H](NC(=O)NCCCCCCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000129997305 598041917 /nfs/dbraw/zinc/04/19/17/598041917.db2.gz GRMGFXRVNXFIDP-CVEARBPZSA-N 2 1 328.501 1.517 20 0 EDADMP [NH3+][C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000884250787 598043219 /nfs/dbraw/zinc/04/32/19/598043219.db2.gz OGRYXNSIGBSPKR-DZGCQCFKSA-N 2 1 327.350 1.917 20 0 EDADMP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ncoc2C[NH3+])C1 ZINC000884406280 598095900 /nfs/dbraw/zinc/09/59/00/598095900.db2.gz PVRUKDWSUMEOGI-HNNXBMFYSA-N 2 1 328.416 1.522 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ncoc2C[NH3+])C1 ZINC000884406280 598095902 /nfs/dbraw/zinc/09/59/02/598095902.db2.gz PVRUKDWSUMEOGI-HNNXBMFYSA-N 2 1 328.416 1.522 20 0 EDADMP CC1CC[NH+](CCNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000914074334 695069119 /nfs/dbraw/zinc/06/91/19/695069119.db2.gz CQGKFHSUPGXCDT-HZPDHXFCSA-N 2 1 340.537 1.597 20 0 EDADMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000914097932 695094513 /nfs/dbraw/zinc/09/45/13/695094513.db2.gz OQVZPBFVXJEDMB-BBWFWOEESA-N 2 1 341.521 1.361 20 0 EDADMP C[NH+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914097932 695094515 /nfs/dbraw/zinc/09/45/15/695094515.db2.gz OQVZPBFVXJEDMB-BBWFWOEESA-N 2 1 341.521 1.361 20 0 EDADMP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000914314239 695351654 /nfs/dbraw/zinc/35/16/54/695351654.db2.gz PSFLKSVVBQFGID-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC000992825185 695381818 /nfs/dbraw/zinc/38/18/18/695381818.db2.gz RSQWEACYWOVYDG-YESZJQIVSA-N 2 1 348.491 1.606 20 0 EDADMP O=C(NCC1C[NH+](CCC2CCCC2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031857470 700015384 /nfs/dbraw/zinc/01/53/84/700015384.db2.gz VWIRUNXXKJDXAB-KGXSXCIVSA-N 2 1 347.503 1.478 20 0 EDADMP CO[C@H](Cc1ccccc1)C[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031260066 696067097 /nfs/dbraw/zinc/06/70/97/696067097.db2.gz KWVMKLYMQIICOY-PKOBYXMFSA-N 2 1 345.487 1.386 20 0 EDADMP CO[C@H](Cc1ccccc1)C[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031260066 696067101 /nfs/dbraw/zinc/06/71/01/696067101.db2.gz KWVMKLYMQIICOY-PKOBYXMFSA-N 2 1 345.487 1.386 20 0 EDADMP C[C@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@H+]1CCn1cccn1 ZINC000993683169 696306852 /nfs/dbraw/zinc/30/68/52/696306852.db2.gz LMOOQDRYVYBJTH-DLBZAZTESA-N 2 1 347.507 1.727 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCCN1Cc1cncn1C ZINC000993801907 696378319 /nfs/dbraw/zinc/37/83/19/696378319.db2.gz DDZBAXBAZFSPKR-RDJZCZTQSA-N 2 1 347.507 1.621 20 0 EDADMP CCCC[N@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000993980711 696480500 /nfs/dbraw/zinc/48/05/00/696480500.db2.gz BPGUIARICAVKMB-WBVHZDCISA-N 2 1 335.496 1.828 20 0 EDADMP Cc1ncsc1C[N@@H+]1CCC[C@H](NC(=O)Cc2cncn2C)[C@H]1C ZINC000994209706 696582471 /nfs/dbraw/zinc/58/24/71/696582471.db2.gz OBTWZFWWZMWWLW-HIFRSBDPSA-N 2 1 347.488 1.897 20 0 EDADMP Cc1ncsc1CN1CCC[C@H](NC(=O)Cc2cncn2C)[C@H]1C ZINC000994209706 696582474 /nfs/dbraw/zinc/58/24/74/696582474.db2.gz OBTWZFWWZMWWLW-HIFRSBDPSA-N 2 1 347.488 1.897 20 0 EDADMP CC(C)C[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)[NH+](C)C ZINC000916017304 696611977 /nfs/dbraw/zinc/61/19/77/696611977.db2.gz XSAFAVSFHFWGCT-HNNXBMFYSA-N 2 1 330.542 1.149 20 0 EDADMP Cc1cncc(C[N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)c1 ZINC000994246095 696626158 /nfs/dbraw/zinc/62/61/58/696626158.db2.gz ASOMCPWDCISASW-FUHWJXTLSA-N 2 1 342.487 1.955 20 0 EDADMP CCc1nocc1C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994256230 696661335 /nfs/dbraw/zinc/66/13/35/696661335.db2.gz RPOYUBOJWDTDMZ-WMLDXEAASA-N 2 1 346.475 1.802 20 0 EDADMP CCc1nocc1C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994256230 696661337 /nfs/dbraw/zinc/66/13/37/696661337.db2.gz RPOYUBOJWDTDMZ-WMLDXEAASA-N 2 1 346.475 1.802 20 0 EDADMP COc1cccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000940008466 700110365 /nfs/dbraw/zinc/11/03/65/700110365.db2.gz OBJNNZXBDFKZRU-INIZCTEOSA-N 2 1 346.475 1.655 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCc2ccns2)C1 ZINC001031667088 697448408 /nfs/dbraw/zinc/44/84/08/697448408.db2.gz XLGSYZJDLMNHBP-MRXNPFEDSA-N 2 1 336.505 1.606 20 0 EDADMP Cc1cncc(C[NH+]2CC(CNC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)c1 ZINC001031668560 697461102 /nfs/dbraw/zinc/46/11/02/697461102.db2.gz JQOOKGAEIGLNGE-OALUTQOASA-N 2 1 342.487 1.812 20 0 EDADMP Cc1cncc(C[NH+]2CC(CNC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)c1 ZINC001031668560 697461104 /nfs/dbraw/zinc/46/11/04/697461104.db2.gz JQOOKGAEIGLNGE-OALUTQOASA-N 2 1 342.487 1.812 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3nccnc3C)C2)CC[N@@H+]1C ZINC001031686476 697516988 /nfs/dbraw/zinc/51/69/88/697516988.db2.gz QJOZPBSEYFLGFI-DOTOQJQBSA-N 2 1 331.464 1.063 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3nccnc3C)C2)CC[N@H+]1C ZINC001031686476 697516990 /nfs/dbraw/zinc/51/69/90/697516990.db2.gz QJOZPBSEYFLGFI-DOTOQJQBSA-N 2 1 331.464 1.063 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000921368480 697574789 /nfs/dbraw/zinc/57/47/89/697574789.db2.gz PESYSHUEVGITIJ-INIZCTEOSA-N 2 1 338.496 1.272 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC000995034419 700163640 /nfs/dbraw/zinc/16/36/40/700163640.db2.gz DYPPOBLYHACKJF-CVEARBPZSA-N 2 1 342.447 1.365 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001032094987 698642513 /nfs/dbraw/zinc/64/25/13/698642513.db2.gz QVUCBLORBSSUHE-UHFFFAOYSA-N 2 1 334.464 1.651 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001031774530 699146306 /nfs/dbraw/zinc/14/63/06/699146306.db2.gz AQPWOPZEVIRWMV-UKRRQHHQSA-N 2 1 329.435 1.954 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939127033 699204647 /nfs/dbraw/zinc/20/46/47/699204647.db2.gz AXYOWXVRMQYCNK-GUYCJALGSA-N 2 1 348.491 1.960 20 0 EDADMP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccccc1F ZINC000939316637 699506696 /nfs/dbraw/zinc/50/66/96/699506696.db2.gz SNPNYCVXUVOGEH-MAUKXSAKSA-N 2 1 349.450 1.485 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1nncs1 ZINC000939394131 699544496 /nfs/dbraw/zinc/54/44/96/699544496.db2.gz BAYKVIGNTWXUAJ-ZIAGYGMSSA-N 2 1 337.493 1.207 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941638477 701602747 /nfs/dbraw/zinc/60/27/47/701602747.db2.gz FDUSYWAWEAZRAX-KRWDZBQOSA-N 2 1 334.508 1.123 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941638477 701602748 /nfs/dbraw/zinc/60/27/48/701602748.db2.gz FDUSYWAWEAZRAX-KRWDZBQOSA-N 2 1 334.508 1.123 20 0 EDADMP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941639732 701603279 /nfs/dbraw/zinc/60/32/79/701603279.db2.gz XNLKTUFHPCMHEE-IRXDYDNUSA-N 2 1 336.524 1.203 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CCC2CCOCC2)[C@@H](C)C1 ZINC000939754657 699904820 /nfs/dbraw/zinc/90/48/20/699904820.db2.gz OCHFMSMHWOSDSJ-YOEHRIQHSA-N 2 1 334.464 1.445 20 0 EDADMP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC000940144868 700274598 /nfs/dbraw/zinc/27/45/98/700274598.db2.gz QJZSCFJTVXVIDL-UHFFFAOYSA-N 2 1 330.436 1.247 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000940148944 700282041 /nfs/dbraw/zinc/28/20/41/700282041.db2.gz HDGMAAKUAHGNTE-MRXNPFEDSA-N 2 1 349.479 1.443 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)no1 ZINC000940328073 700505717 /nfs/dbraw/zinc/50/57/17/700505717.db2.gz FEXWGZJPKNPEST-AWEZNQCLSA-N 2 1 334.464 1.938 20 0 EDADMP CCn1ncnc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000940329170 700508389 /nfs/dbraw/zinc/50/83/89/700508389.db2.gz QTVZXYZFZHMDEZ-OAHLLOKOSA-N 2 1 348.495 1.111 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)sn1 ZINC000940457633 700661112 /nfs/dbraw/zinc/66/11/12/700661112.db2.gz NNAFFXRPAYNJJH-AWEZNQCLSA-N 2 1 336.505 1.874 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nc(C4CC4)no3)CC2)C1 ZINC000940461989 700665713 /nfs/dbraw/zinc/66/57/13/700665713.db2.gz VIJXCRPENZUMKK-CQSZACIVSA-N 2 1 347.463 1.369 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nc(C4CC4)no3)CC2)C1 ZINC000940461989 700665714 /nfs/dbraw/zinc/66/57/14/700665714.db2.gz VIJXCRPENZUMKK-CQSZACIVSA-N 2 1 347.463 1.369 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)o1 ZINC000995099830 700886052 /nfs/dbraw/zinc/88/60/52/700886052.db2.gz APNGYFPTYHDRCC-GJZGRUSLSA-N 2 1 349.479 1.484 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865435 700947387 /nfs/dbraw/zinc/94/73/87/700947387.db2.gz YQLHYGDDOXVGQG-JKSUJKDBSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940973878 701016031 /nfs/dbraw/zinc/01/60/31/701016031.db2.gz YKUQQQFSUKBGRG-HZPDHXFCSA-N 2 1 325.497 1.317 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCO)CC2(C)C)C1 ZINC000940973878 701016032 /nfs/dbraw/zinc/01/60/32/701016032.db2.gz YKUQQQFSUKBGRG-HZPDHXFCSA-N 2 1 325.497 1.317 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCO)CC2(C)C)C1 ZINC000940973878 701016033 /nfs/dbraw/zinc/01/60/33/701016033.db2.gz YKUQQQFSUKBGRG-HZPDHXFCSA-N 2 1 325.497 1.317 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3cnn(C)c3)C2)C1 ZINC001031918619 701034221 /nfs/dbraw/zinc/03/42/21/701034221.db2.gz PSLPSCPYDGTRPW-QGZVFWFLSA-N 2 1 333.480 1.090 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3cnn(C)c3)C2)C1 ZINC001031918619 701034223 /nfs/dbraw/zinc/03/42/23/701034223.db2.gz PSLPSCPYDGTRPW-QGZVFWFLSA-N 2 1 333.480 1.090 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941025997 701065251 /nfs/dbraw/zinc/06/52/51/701065251.db2.gz HQHSYINAUUHONO-SJORKVTESA-N 2 1 347.507 1.442 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941025997 701065254 /nfs/dbraw/zinc/06/52/54/701065254.db2.gz HQHSYINAUUHONO-SJORKVTESA-N 2 1 347.507 1.442 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941025997 701065258 /nfs/dbraw/zinc/06/52/58/701065258.db2.gz HQHSYINAUUHONO-SJORKVTESA-N 2 1 347.507 1.442 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029704 701070465 /nfs/dbraw/zinc/07/04/65/701070465.db2.gz ZIHNXBOKJXAJHI-HOTGVXAUSA-N 2 1 339.524 1.970 20 0 EDADMP CO[C@@H](C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029704 701070469 /nfs/dbraw/zinc/07/04/69/701070469.db2.gz ZIHNXBOKJXAJHI-HOTGVXAUSA-N 2 1 339.524 1.970 20 0 EDADMP CO[C@@H](C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029704 701070473 /nfs/dbraw/zinc/07/04/73/701070473.db2.gz ZIHNXBOKJXAJHI-HOTGVXAUSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941063076 701110605 /nfs/dbraw/zinc/11/06/05/701110605.db2.gz BFTZVGHAICCUKS-HNNXBMFYSA-N 2 1 336.480 1.606 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941063076 701110606 /nfs/dbraw/zinc/11/06/06/701110606.db2.gz BFTZVGHAICCUKS-HNNXBMFYSA-N 2 1 336.480 1.606 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)CC[N@H+]1C ZINC001031925858 701129770 /nfs/dbraw/zinc/12/97/70/701129770.db2.gz QCHCMDAXKCJKRT-XIRDDKMYSA-N 2 1 337.508 1.580 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001031925332 701141135 /nfs/dbraw/zinc/14/11/35/701141135.db2.gz FHIIRNPPNHRDDU-BBRMVZONSA-N 2 1 348.491 1.824 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)o1 ZINC001031925332 701141137 /nfs/dbraw/zinc/14/11/37/701141137.db2.gz FHIIRNPPNHRDDU-BBRMVZONSA-N 2 1 348.491 1.824 20 0 EDADMP CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000941157891 701221929 /nfs/dbraw/zinc/22/19/29/701221929.db2.gz IROSCFXNATWLJW-KRWDZBQOSA-N 2 1 337.508 1.317 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)no1 ZINC000999169434 706598036 /nfs/dbraw/zinc/59/80/36/706598036.db2.gz RKKQPSJMGPXOCW-VJFUWPCTSA-N 2 1 346.475 1.936 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)ncn1 ZINC000941217779 701403916 /nfs/dbraw/zinc/40/39/16/701403916.db2.gz SDBYQPFHXFNBQS-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)ncn1 ZINC000941217779 701403917 /nfs/dbraw/zinc/40/39/17/701403917.db2.gz SDBYQPFHXFNBQS-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)ncn1 ZINC000941217779 701403918 /nfs/dbraw/zinc/40/39/18/701403918.db2.gz SDBYQPFHXFNBQS-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941218195 701408787 /nfs/dbraw/zinc/40/87/87/701408787.db2.gz WZAPCQWKUQEYGP-HZPDHXFCSA-N 2 1 333.480 1.089 20 0 EDADMP Cn1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)cn1 ZINC000941218195 701408789 /nfs/dbraw/zinc/40/87/89/701408789.db2.gz WZAPCQWKUQEYGP-HZPDHXFCSA-N 2 1 333.480 1.089 20 0 EDADMP Cn1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)cn1 ZINC000941218195 701408791 /nfs/dbraw/zinc/40/87/91/701408791.db2.gz WZAPCQWKUQEYGP-HZPDHXFCSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1nc(C(C)C)oc1CN1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031979099 702043230 /nfs/dbraw/zinc/04/32/30/702043230.db2.gz YYVOMYBHUPUTRK-XJKSGUPXSA-N 2 1 348.491 1.852 20 0 EDADMP Cc1nc(C(C)C)oc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031979099 702043238 /nfs/dbraw/zinc/04/32/38/702043238.db2.gz YYVOMYBHUPUTRK-XJKSGUPXSA-N 2 1 348.491 1.852 20 0 EDADMP Cc1nc(C(C)C)oc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031979099 702043244 /nfs/dbraw/zinc/04/32/44/702043244.db2.gz YYVOMYBHUPUTRK-XJKSGUPXSA-N 2 1 348.491 1.852 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2nncs2)C(C)(C)C1)C1CC1 ZINC000995892004 702191062 /nfs/dbraw/zinc/19/10/62/702191062.db2.gz FBVMHSWYLFGFQA-GXTWGEPZSA-N 2 1 337.493 1.205 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)n1 ZINC000995916078 702276729 /nfs/dbraw/zinc/27/67/29/702276729.db2.gz ICCZMGTVGNSEPB-MRXNPFEDSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)n1 ZINC000995916078 702276733 /nfs/dbraw/zinc/27/67/33/702276733.db2.gz ICCZMGTVGNSEPB-MRXNPFEDSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnccc2C)C1 ZINC000995192473 702306686 /nfs/dbraw/zinc/30/66/86/702306686.db2.gz CHPBLMXLLCAFQN-WMZOPIPTSA-N 2 1 341.459 1.970 20 0 EDADMP COc1cccc(CCC[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032186122 702315327 /nfs/dbraw/zinc/31/53/27/702315327.db2.gz IUPUFEHEPOZAHV-SFHVURJKSA-N 2 1 345.487 1.628 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2nccs2)C1 ZINC000995195079 702421493 /nfs/dbraw/zinc/42/14/93/702421493.db2.gz HZAKXJLPEDKANF-UONOGXRCSA-N 2 1 333.461 1.723 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1 ZINC000996046009 702440154 /nfs/dbraw/zinc/44/01/54/702440154.db2.gz YMBVSNAKSUZXSA-HOTGVXAUSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2cnc(C)s2)C(C)(C)C1 ZINC000996042697 702459133 /nfs/dbraw/zinc/45/91/33/702459133.db2.gz LKSSUPDLSIBMBX-HNNXBMFYSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2cccnc2C)C(C)(C)C1 ZINC000996042902 702459924 /nfs/dbraw/zinc/45/99/24/702459924.db2.gz NUDUNXXLCLHCSZ-KRWDZBQOSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)C(C)(C)C1 ZINC000996042903 702460152 /nfs/dbraw/zinc/46/01/52/702460152.db2.gz NUDUNXXLCLHCSZ-QGZVFWFLSA-N 2 1 341.459 1.922 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCOC2)CC1 ZINC001032666189 706679551 /nfs/dbraw/zinc/67/95/51/706679551.db2.gz YSXHHGGAYQTBSX-SQNIBIBYSA-N 2 1 335.492 1.430 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CCCOC2)CC1 ZINC001032666120 706679687 /nfs/dbraw/zinc/67/96/87/706679687.db2.gz WYWOOLQBPLICRZ-SQNIBIBYSA-N 2 1 335.492 1.430 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC2(C)C)[nH]1 ZINC000996131854 702563071 /nfs/dbraw/zinc/56/30/71/702563071.db2.gz CSLZMWSLZTZMBE-AWEZNQCLSA-N 2 1 348.495 1.314 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996299669 702690258 /nfs/dbraw/zinc/69/02/58/702690258.db2.gz BYMFULWIKKJJOS-HOTGVXAUSA-N 2 1 347.507 1.571 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)on1 ZINC000996300052 702691050 /nfs/dbraw/zinc/69/10/50/702691050.db2.gz JFYUYCMACWHBPN-HOCLYGCPSA-N 2 1 334.464 1.794 20 0 EDADMP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)n1 ZINC000996299928 702691221 /nfs/dbraw/zinc/69/12/21/702691221.db2.gz GWOYWJLZXACQFJ-NVXWUHKLSA-N 2 1 347.507 1.714 20 0 EDADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300463 702692227 /nfs/dbraw/zinc/69/22/27/702692227.db2.gz MPPQGIKFYRQBLQ-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996465156 702792488 /nfs/dbraw/zinc/79/24/88/702792488.db2.gz RJEPQWHHCNXLOT-QGZVFWFLSA-N 2 1 334.464 1.936 20 0 EDADMP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996479060 702810570 /nfs/dbraw/zinc/81/05/70/702810570.db2.gz VJWXNDHFLMETDX-DOTOQJQBSA-N 2 1 345.491 1.375 20 0 EDADMP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000996524409 702841055 /nfs/dbraw/zinc/84/10/55/702841055.db2.gz PSSMYOYFSXJJAD-HOTGVXAUSA-N 2 1 337.508 1.602 20 0 EDADMP COCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434642 702841496 /nfs/dbraw/zinc/84/14/96/702841496.db2.gz DINBVZXGJMNAKT-QZTJIDSGSA-N 2 1 339.524 1.924 20 0 EDADMP COCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948434642 702841499 /nfs/dbraw/zinc/84/14/99/702841499.db2.gz DINBVZXGJMNAKT-QZTJIDSGSA-N 2 1 339.524 1.924 20 0 EDADMP COCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948434642 702841501 /nfs/dbraw/zinc/84/15/01/702841501.db2.gz DINBVZXGJMNAKT-QZTJIDSGSA-N 2 1 339.524 1.924 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CCn3cccn3)C(C)(C)C2)C1 ZINC000996515016 702850578 /nfs/dbraw/zinc/85/05/78/702850578.db2.gz PEFCPKDVMFCGCC-HZPDHXFCSA-N 2 1 333.480 1.052 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]Cc3ccns3)C(C)(C)C2)C1 ZINC000996518561 702854242 /nfs/dbraw/zinc/85/42/42/702854242.db2.gz KWEYAKHSJWVSJW-UKRRQHHQSA-N 2 1 336.505 1.812 20 0 EDADMP CC(C)n1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996606517 702910046 /nfs/dbraw/zinc/91/00/46/702910046.db2.gz ABXVEYLJHQPUMM-WBVHZDCISA-N 2 1 347.507 1.742 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)[nH]1 ZINC000996610909 702916072 /nfs/dbraw/zinc/91/60/72/702916072.db2.gz LMLKBGOFDSIFHR-KGLIPLIRSA-N 2 1 348.495 1.206 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)[nH]1 ZINC000996610909 702916073 /nfs/dbraw/zinc/91/60/73/702916073.db2.gz LMLKBGOFDSIFHR-KGLIPLIRSA-N 2 1 348.495 1.206 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)C1 ZINC000996616775 702923948 /nfs/dbraw/zinc/92/39/48/702923948.db2.gz UISSZDQPXUEBNH-KBPBESRZSA-N 2 1 329.435 1.810 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC000996626046 702929546 /nfs/dbraw/zinc/92/95/46/702929546.db2.gz SWLJOSWIBGPEGO-INIZCTEOSA-N 2 1 345.447 1.769 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996651791 702941706 /nfs/dbraw/zinc/94/17/06/702941706.db2.gz CVNNBDXXCWKYAK-KRWDZBQOSA-N 2 1 333.480 1.375 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996648401 702950162 /nfs/dbraw/zinc/95/01/62/702950162.db2.gz RUFIWKDXOOAAQU-DLBZAZTESA-N 2 1 346.475 1.129 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996648401 702950163 /nfs/dbraw/zinc/95/01/63/702950163.db2.gz RUFIWKDXOOAAQU-DLBZAZTESA-N 2 1 346.475 1.129 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000996661147 702958577 /nfs/dbraw/zinc/95/85/77/702958577.db2.gz LQDQQKDHAWZXST-MAUKXSAKSA-N 2 1 345.491 1.993 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)cn1 ZINC000996663951 702961878 /nfs/dbraw/zinc/96/18/78/702961878.db2.gz BNFYUEVSSPETDS-HNNXBMFYSA-N 2 1 345.491 1.911 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996672266 702973499 /nfs/dbraw/zinc/97/34/99/702973499.db2.gz CIJSSYKDMRGVEX-IRXDYDNUSA-N 2 1 347.507 1.584 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000996676358 702975635 /nfs/dbraw/zinc/97/56/35/702975635.db2.gz HEILKQQFNPWPSS-SJORKVTESA-N 2 1 346.475 1.910 20 0 EDADMP Cc1ncsc1CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001032315862 702980550 /nfs/dbraw/zinc/98/05/50/702980550.db2.gz YUYNCCROTYXFAZ-KKUMJFAQSA-N 2 1 334.489 1.373 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001032315862 702980552 /nfs/dbraw/zinc/98/05/52/702980552.db2.gz YUYNCCROTYXFAZ-KKUMJFAQSA-N 2 1 334.489 1.373 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001032315862 702980554 /nfs/dbraw/zinc/98/05/54/702980554.db2.gz YUYNCCROTYXFAZ-KKUMJFAQSA-N 2 1 334.489 1.373 20 0 EDADMP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001032315862 702980558 /nfs/dbraw/zinc/98/05/58/702980558.db2.gz YUYNCCROTYXFAZ-KKUMJFAQSA-N 2 1 334.489 1.373 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996692830 702990157 /nfs/dbraw/zinc/99/01/57/702990157.db2.gz ZCHKDRKIBHQCEU-CZUORRHYSA-N 2 1 349.479 1.894 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000996692830 702990160 /nfs/dbraw/zinc/99/01/60/702990160.db2.gz ZCHKDRKIBHQCEU-CZUORRHYSA-N 2 1 349.479 1.894 20 0 EDADMP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000996718338 703012142 /nfs/dbraw/zinc/01/21/42/703012142.db2.gz NMDAJLHFUDIMLJ-SJLPKXTDSA-N 2 1 345.491 1.518 20 0 EDADMP C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942554988 703068420 /nfs/dbraw/zinc/06/84/20/703068420.db2.gz BTNVZEYQYWCLEZ-GOEBONIOSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942554988 703068422 /nfs/dbraw/zinc/06/84/22/703068422.db2.gz BTNVZEYQYWCLEZ-GOEBONIOSA-N 2 1 348.495 1.016 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)n1 ZINC000996798292 703090432 /nfs/dbraw/zinc/09/04/32/703090432.db2.gz KXPDNKVWEOEDNX-UHFFFAOYSA-N 2 1 343.431 1.376 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000996803900 703094335 /nfs/dbraw/zinc/09/43/35/703094335.db2.gz XZYLMFUJLLIBNU-KRWDZBQOSA-N 2 1 334.464 1.731 20 0 EDADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996855821 703134198 /nfs/dbraw/zinc/13/41/98/703134198.db2.gz IDCCRQRZFREOQM-INIZCTEOSA-N 2 1 349.504 1.493 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC000996867432 703140265 /nfs/dbraw/zinc/14/02/65/703140265.db2.gz HWTCPVUMZWHFNX-UHFFFAOYSA-N 2 1 349.479 1.587 20 0 EDADMP CC(C)(C(=O)N1CCC([NH2+]Cc2csnn2)CC1)[NH+]1CCCC1 ZINC000996868912 703141471 /nfs/dbraw/zinc/14/14/71/703141471.db2.gz ZNXXXETURYTJCM-UHFFFAOYSA-N 2 1 337.493 1.493 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]C[C@H]3CCCOC3)CC2)CC[N@H+]1C ZINC000996923270 703193991 /nfs/dbraw/zinc/19/39/91/703193991.db2.gz RXSCGCRACJBJOJ-BBWFWOEESA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042448 703200569 /nfs/dbraw/zinc/20/05/69/703200569.db2.gz AINYEHHTFVAACN-PKOBYXMFSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032042448 703200570 /nfs/dbraw/zinc/20/05/70/703200570.db2.gz AINYEHHTFVAACN-PKOBYXMFSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042861 703208871 /nfs/dbraw/zinc/20/88/71/703208871.db2.gz MLWKOZLVHLYGMY-AEFFLSMTSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032042861 703208873 /nfs/dbraw/zinc/20/88/73/703208873.db2.gz MLWKOZLVHLYGMY-AEFFLSMTSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032044622 703245697 /nfs/dbraw/zinc/24/56/97/703245697.db2.gz VRATYTUTKFXFDB-MOPGFXCFSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032044622 703245700 /nfs/dbraw/zinc/24/57/00/703245700.db2.gz VRATYTUTKFXFDB-MOPGFXCFSA-N 2 1 342.487 1.955 20 0 EDADMP COc1ccnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)c1 ZINC000996994735 703251457 /nfs/dbraw/zinc/25/14/57/703251457.db2.gz IUWQTPUDBIGSJJ-HNNXBMFYSA-N 2 1 346.475 1.655 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([NH2+]CC[C@H]3CCCO3)CC2)C1 ZINC000996999395 703256290 /nfs/dbraw/zinc/25/62/90/703256290.db2.gz NZSKJVACCRBUCV-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000996996735 703260219 /nfs/dbraw/zinc/26/02/19/703260219.db2.gz ZOZATWSSRPVUJA-CYBMUJFWSA-N 2 1 347.463 1.512 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000996996735 703260221 /nfs/dbraw/zinc/26/02/21/703260221.db2.gz ZOZATWSSRPVUJA-CYBMUJFWSA-N 2 1 347.463 1.512 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000997004205 703261328 /nfs/dbraw/zinc/26/13/28/703261328.db2.gz CBIXOBAAUMFOTD-DOMZBBRYSA-N 2 1 329.435 1.810 20 0 EDADMP Cc1csc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997013452 703273282 /nfs/dbraw/zinc/27/32/82/703273282.db2.gz ZOJTZUXRXXDELM-DOMZBBRYSA-N 2 1 336.505 1.730 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000997092184 703338389 /nfs/dbraw/zinc/33/83/89/703338389.db2.gz BLTCPNDINCLXTD-KURKYZTESA-N 2 1 349.519 1.726 20 0 EDADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032406002 703431974 /nfs/dbraw/zinc/43/19/74/703431974.db2.gz UDQOXXVEJQHPFF-NJAFHUGGSA-N 2 1 335.492 1.309 20 0 EDADMP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1C[C@@H]2C[C@H]1C[NH+]2CCCO ZINC001032406002 703431975 /nfs/dbraw/zinc/43/19/75/703431975.db2.gz UDQOXXVEJQHPFF-NJAFHUGGSA-N 2 1 335.492 1.309 20 0 EDADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1C[C@@H]2C[C@H]1C[NH+]2CCCO ZINC001032406002 703431976 /nfs/dbraw/zinc/43/19/76/703431976.db2.gz UDQOXXVEJQHPFF-NJAFHUGGSA-N 2 1 335.492 1.309 20 0 EDADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](CCCF)CC1 ZINC000997175953 703460834 /nfs/dbraw/zinc/46/08/34/703460834.db2.gz HNBJAXBBKRQDAB-IIAWOOMASA-N 2 1 329.460 1.282 20 0 EDADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](CCCF)CC1 ZINC000997175953 703460837 /nfs/dbraw/zinc/46/08/37/703460837.db2.gz HNBJAXBBKRQDAB-IIAWOOMASA-N 2 1 329.460 1.282 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997185003 703473964 /nfs/dbraw/zinc/47/39/64/703473964.db2.gz OKMJPDRDDHECGS-HNNXBMFYSA-N 2 1 348.491 1.968 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC000997187323 703476845 /nfs/dbraw/zinc/47/68/45/703476845.db2.gz XRMUNRPJIILRPT-AWEZNQCLSA-N 2 1 336.505 1.874 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000997188029 703477699 /nfs/dbraw/zinc/47/76/99/703477699.db2.gz YHTMYGJPZDNISK-ZDUSSCGKSA-N 2 1 336.436 1.106 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3noc(C(C)(C)C)n3)CC2)C1 ZINC000997300902 703544377 /nfs/dbraw/zinc/54/43/77/703544377.db2.gz ZAMCJTLDLYBKDM-ZDUSSCGKSA-N 2 1 349.479 1.399 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3noc(C(C)(C)C)n3)CC2)C1 ZINC000997300902 703544378 /nfs/dbraw/zinc/54/43/78/703544378.db2.gz ZAMCJTLDLYBKDM-ZDUSSCGKSA-N 2 1 349.479 1.399 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000997366008 703599690 /nfs/dbraw/zinc/59/96/90/703599690.db2.gz XJXIZGOOWFFESZ-QGZVFWFLSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705631 706755875 /nfs/dbraw/zinc/75/58/75/706755875.db2.gz CSRNWTVWTDFDPE-KKUMJFAQSA-N 2 1 327.444 1.130 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@@H]1CCOC1)[NH+](C)C ZINC001032459989 703650424 /nfs/dbraw/zinc/65/04/24/703650424.db2.gz WBVUHADWQLCSGK-OWSLCNJRSA-N 2 1 337.508 1.674 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C2CC[NH+](CC(C)C)CC2)C1 ZINC000997437596 703665903 /nfs/dbraw/zinc/66/59/03/703665903.db2.gz ZOTHADBHDDPGMK-WBVHZDCISA-N 2 1 325.497 1.580 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C2CC[NH+](CC(C)C)CC2)C1 ZINC000997437596 703665904 /nfs/dbraw/zinc/66/59/04/703665904.db2.gz ZOTHADBHDDPGMK-WBVHZDCISA-N 2 1 325.497 1.580 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](C/C=C\Cl)CC2)C1 ZINC000997437585 703665914 /nfs/dbraw/zinc/66/59/14/703665914.db2.gz ZFGJFJZTSVEZRX-TZPOZWHTSA-N 2 1 343.899 1.676 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](C/C=C\Cl)CC2)C1 ZINC000997437585 703665915 /nfs/dbraw/zinc/66/59/15/703665915.db2.gz ZFGJFJZTSVEZRX-TZPOZWHTSA-N 2 1 343.899 1.676 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000997420337 703670259 /nfs/dbraw/zinc/67/02/59/703670259.db2.gz HJTOKPFKFGUREI-CRAIPNDOSA-N 2 1 347.507 1.131 20 0 EDADMP CCc1nocc1C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997420404 703670306 /nfs/dbraw/zinc/67/03/06/703670306.db2.gz INLLGOVQYOFVMX-ZBFHGGJFSA-N 2 1 348.491 1.905 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCOC1)C12CCC[NH+](CCC1)C2 ZINC001032471637 703687072 /nfs/dbraw/zinc/68/70/72/703687072.db2.gz CNEHPIBHVPIUHX-SQNIBIBYSA-N 2 1 347.503 1.574 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(F)(F)C1 ZINC001032478360 703708525 /nfs/dbraw/zinc/70/85/25/703708525.db2.gz CFYJCJAGIMQBGX-SOUVJXGZSA-N 2 1 327.419 1.801 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(F)(F)C1 ZINC001032478360 703708527 /nfs/dbraw/zinc/70/85/27/703708527.db2.gz CFYJCJAGIMQBGX-SOUVJXGZSA-N 2 1 327.419 1.801 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(F)(F)C1 ZINC001032478360 703708528 /nfs/dbraw/zinc/70/85/28/703708528.db2.gz CFYJCJAGIMQBGX-SOUVJXGZSA-N 2 1 327.419 1.801 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2nccs2)CC1 ZINC000997515938 703763637 /nfs/dbraw/zinc/76/36/37/703763637.db2.gz QODDMDOCNHYZDV-DZGCQCFKSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2nccs2)CC1 ZINC000997515938 703763639 /nfs/dbraw/zinc/76/36/39/703763639.db2.gz QODDMDOCNHYZDV-DZGCQCFKSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)s1 ZINC000997604748 703900858 /nfs/dbraw/zinc/90/08/58/703900858.db2.gz CFQXESNTDSTZDL-MRXNPFEDSA-N 2 1 336.505 1.874 20 0 EDADMP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997608268 703905275 /nfs/dbraw/zinc/90/52/75/703905275.db2.gz TWSRBTXSOQUFDN-MRXNPFEDSA-N 2 1 333.480 1.325 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cn1 ZINC001004203645 703940589 /nfs/dbraw/zinc/94/05/89/703940589.db2.gz MFRYQCGXUNIEEG-GJZGRUSLSA-N 2 1 345.491 1.738 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001004204691 703943686 /nfs/dbraw/zinc/94/36/86/703943686.db2.gz TZNHZKCKPHQMAM-GJZGRUSLSA-N 2 1 333.480 1.374 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033082740 704140304 /nfs/dbraw/zinc/14/03/04/704140304.db2.gz PXEPKKFCDXBLLS-IRXDYDNUSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033082740 704140306 /nfs/dbraw/zinc/14/03/06/704140306.db2.gz PXEPKKFCDXBLLS-IRXDYDNUSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033082740 704140309 /nfs/dbraw/zinc/14/03/09/704140309.db2.gz PXEPKKFCDXBLLS-IRXDYDNUSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033082740 704140310 /nfs/dbraw/zinc/14/03/10/704140310.db2.gz PXEPKKFCDXBLLS-IRXDYDNUSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001033082890 704140796 /nfs/dbraw/zinc/14/07/96/704140796.db2.gz VKBHTYWAWSWAHE-DOTOQJQBSA-N 2 1 332.448 1.358 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001033082890 704140798 /nfs/dbraw/zinc/14/07/98/704140798.db2.gz VKBHTYWAWSWAHE-DOTOQJQBSA-N 2 1 332.448 1.358 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033091550 704166768 /nfs/dbraw/zinc/16/67/68/704166768.db2.gz KVFPFDJYOKSGGO-FVQBIDKESA-N 2 1 334.464 1.664 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033091550 704166769 /nfs/dbraw/zinc/16/67/69/704166769.db2.gz KVFPFDJYOKSGGO-FVQBIDKESA-N 2 1 334.464 1.664 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033091550 704166770 /nfs/dbraw/zinc/16/67/70/704166770.db2.gz KVFPFDJYOKSGGO-FVQBIDKESA-N 2 1 334.464 1.664 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001033093188 704170017 /nfs/dbraw/zinc/17/00/17/704170017.db2.gz XWUDNYQQKDLNKH-KBAYOESNSA-N 2 1 347.507 1.318 20 0 EDADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946591340 704192016 /nfs/dbraw/zinc/19/20/16/704192016.db2.gz UCOLPBBKYQAVHY-KANFNMMFSA-N 2 1 349.519 1.534 20 0 EDADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595302 704260137 /nfs/dbraw/zinc/26/01/37/704260137.db2.gz RTAPCACBPQKQSU-IGKNDFSCSA-N 2 1 337.508 1.532 20 0 EDADMP COC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595302 704260141 /nfs/dbraw/zinc/26/01/41/704260141.db2.gz RTAPCACBPQKQSU-IGKNDFSCSA-N 2 1 337.508 1.532 20 0 EDADMP COC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595302 704260143 /nfs/dbraw/zinc/26/01/43/704260143.db2.gz RTAPCACBPQKQSU-IGKNDFSCSA-N 2 1 337.508 1.532 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CCOC2)CC1 ZINC001032711080 706803610 /nfs/dbraw/zinc/80/36/10/706803610.db2.gz GZQOODGOYWNKIJ-SZMVWBNQSA-N 2 1 335.492 1.428 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000999301792 706804940 /nfs/dbraw/zinc/80/49/40/706804940.db2.gz CHFGPVRYQOFGMU-WBVHZDCISA-N 2 1 333.480 1.375 20 0 EDADMP CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598068 704310875 /nfs/dbraw/zinc/31/08/75/704310875.db2.gz WQEWUNFTJSFESG-XDNAFOTISA-N 2 1 335.492 1.428 20 0 EDADMP CC(C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598068 704310877 /nfs/dbraw/zinc/31/08/77/704310877.db2.gz WQEWUNFTJSFESG-XDNAFOTISA-N 2 1 335.492 1.428 20 0 EDADMP CC(C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598068 704310880 /nfs/dbraw/zinc/31/08/80/704310880.db2.gz WQEWUNFTJSFESG-XDNAFOTISA-N 2 1 335.492 1.428 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000999308064 706808944 /nfs/dbraw/zinc/80/89/44/706808944.db2.gz OUHDNVDPAMXYPT-MSOLQXFVSA-N 2 1 347.507 1.684 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nocc2C)C1 ZINC000999306763 706812147 /nfs/dbraw/zinc/81/21/47/706812147.db2.gz LZTJVAWMUBMFRF-RDJZCZTQSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nocc2C)C1 ZINC000999306763 706812151 /nfs/dbraw/zinc/81/21/51/706812151.db2.gz LZTJVAWMUBMFRF-RDJZCZTQSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000999309769 706812588 /nfs/dbraw/zinc/81/25/88/706812588.db2.gz VWHIMKRMRKCBSG-AEFFLSMTSA-N 2 1 347.507 1.684 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000922852620 704438799 /nfs/dbraw/zinc/43/87/99/704438799.db2.gz MLUZOBOXIHGFSX-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CCCCC3)C(C)(C)C2)C1 ZINC000995596395 704563541 /nfs/dbraw/zinc/56/35/41/704563541.db2.gz HERXELZRJIVNPH-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CCCCC3)C(C)(C)C2)C1 ZINC000995596395 704563542 /nfs/dbraw/zinc/56/35/42/704563542.db2.gz HERXELZRJIVNPH-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CC[C@]2(C1)CCC[N@@H+](CCCF)C2 ZINC001040452852 704605106 /nfs/dbraw/zinc/60/51/06/704605106.db2.gz LFMIHKYHPWEUAD-GOSISDBHSA-N 2 1 341.471 1.383 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CC[C@]2(C1)CCC[N@H+](CCCF)C2 ZINC001040452852 704605108 /nfs/dbraw/zinc/60/51/08/704605108.db2.gz LFMIHKYHPWEUAD-GOSISDBHSA-N 2 1 341.471 1.383 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1 ZINC000997778496 704680844 /nfs/dbraw/zinc/68/08/44/704680844.db2.gz ZGAUPWWALQECLM-SFHVURJKSA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3cncn3C)CC2)CC[N@H+]1C ZINC000997792431 704701094 /nfs/dbraw/zinc/70/10/94/704701094.db2.gz GRDGGGGOJJUDOX-ZWKOTPCHSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CC(C)(C)CO1)[NH+]1CCCC1 ZINC001032557425 704737019 /nfs/dbraw/zinc/73/70/19/704737019.db2.gz JCFRYOCKLTYKIL-YESZJQIVSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CC(C)(C)CO1)[NH+]1CCCC1 ZINC001032557425 704737021 /nfs/dbraw/zinc/73/70/21/704737021.db2.gz JCFRYOCKLTYKIL-YESZJQIVSA-N 2 1 349.519 1.961 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]C[C@@H]2C[C@]23CCOC3)CC1)C1CCC1 ZINC000997831454 704749392 /nfs/dbraw/zinc/74/93/92/704749392.db2.gz SHYVLOPBMXVSBJ-PXNSSMCTSA-N 2 1 349.519 1.726 20 0 EDADMP Cn1cnnc1C[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000997840184 704756674 /nfs/dbraw/zinc/75/66/74/704756674.db2.gz MXXADRIFDSZLBE-INIZCTEOSA-N 2 1 348.495 1.018 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)cn1 ZINC000944919657 704771794 /nfs/dbraw/zinc/77/17/94/704771794.db2.gz PKLLSPUHNYZKBH-WMZOPIPTSA-N 2 1 347.507 1.368 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000997861120 704771819 /nfs/dbraw/zinc/77/18/19/704771819.db2.gz IGEKMKLXCOGSCT-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1ncccc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944946242 704799373 /nfs/dbraw/zinc/79/93/73/704799373.db2.gz VYPKKMJOFWDLIM-YJBOKZPZSA-N 2 1 330.476 1.812 20 0 EDADMP CCc1nnc(CN2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944963468 704828825 /nfs/dbraw/zinc/82/88/25/704828825.db2.gz ALKWCBIBXOGDRB-JSGCOSHPSA-N 2 1 346.435 1.164 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3cnsn3)CC2)C1 ZINC000998080831 705299734 /nfs/dbraw/zinc/29/97/34/705299734.db2.gz DJSDMRMCFDHNRZ-ZDUSSCGKSA-N 2 1 337.493 1.208 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3cnsn3)CC2)C1 ZINC000998080831 705299736 /nfs/dbraw/zinc/29/97/36/705299736.db2.gz DJSDMRMCFDHNRZ-ZDUSSCGKSA-N 2 1 337.493 1.208 20 0 EDADMP Cc1ncoc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000998081655 705303011 /nfs/dbraw/zinc/30/30/11/705303011.db2.gz KZRIXPHTRKTPKT-CQSZACIVSA-N 2 1 334.464 1.653 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000998080427 705305477 /nfs/dbraw/zinc/30/54/77/705305477.db2.gz AINJWBLLLJPYRI-AWEZNQCLSA-N 2 1 336.505 1.956 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000998082461 705309491 /nfs/dbraw/zinc/30/94/91/705309491.db2.gz PPUWEHYPWCHSGB-AEFFLSMTSA-N 2 1 337.508 1.583 20 0 EDADMP Cc1nccnc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000998083574 705312525 /nfs/dbraw/zinc/31/25/25/705312525.db2.gz WGBRHGZTDSVOLO-OAHLLOKOSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(CN2CC[C@@H](NC(=O)CN3CCC(C)CC3)C2)sn1 ZINC001015898450 705417066 /nfs/dbraw/zinc/41/70/66/705417066.db2.gz CQKNIKPBBSVKCU-OAHLLOKOSA-N 2 1 336.505 1.874 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](Cc2ccon2)CC1 ZINC000998186992 705490942 /nfs/dbraw/zinc/49/09/42/705490942.db2.gz BZNKUOQSFBARPO-WBVHZDCISA-N 2 1 334.464 1.829 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@@H+](Cc2ccon2)CC1 ZINC000998186992 705490947 /nfs/dbraw/zinc/49/09/47/705490947.db2.gz BZNKUOQSFBARPO-WBVHZDCISA-N 2 1 334.464 1.829 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](Cc2ccon2)CC1 ZINC000998186992 705490949 /nfs/dbraw/zinc/49/09/49/705490949.db2.gz BZNKUOQSFBARPO-WBVHZDCISA-N 2 1 334.464 1.829 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](Cc2ccon2)CC1 ZINC000998186992 705490951 /nfs/dbraw/zinc/49/09/51/705490951.db2.gz BZNKUOQSFBARPO-WBVHZDCISA-N 2 1 334.464 1.829 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC000998266762 705635944 /nfs/dbraw/zinc/63/59/44/705635944.db2.gz QRLRUXSCIYBASA-DLBZAZTESA-N 2 1 337.508 1.581 20 0 EDADMP COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC000998548257 705983372 /nfs/dbraw/zinc/98/33/72/705983372.db2.gz FKYLHYKKUMNHTI-LEOMRAHMSA-N 2 1 331.460 1.868 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC000998547993 705983395 /nfs/dbraw/zinc/98/33/95/705983395.db2.gz FCMRQGORLKWVBE-RUXDESIVSA-N 2 1 335.452 1.366 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000998547993 705983399 /nfs/dbraw/zinc/98/33/99/705983399.db2.gz FCMRQGORLKWVBE-RUXDESIVSA-N 2 1 335.452 1.366 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)sc1C ZINC000998724442 706155842 /nfs/dbraw/zinc/15/58/42/706155842.db2.gz UEHPVZQFKRWMPC-CABCVRRESA-N 2 1 336.505 1.935 20 0 EDADMP CCc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC000998729060 706159476 /nfs/dbraw/zinc/15/94/76/706159476.db2.gz FBEJVBLOYAPZFA-HUUCEWRRSA-N 2 1 334.464 1.720 20 0 EDADMP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)ccn1 ZINC000998725733 706160472 /nfs/dbraw/zinc/16/04/72/706160472.db2.gz XWNJNVRRBAWXOT-HOTGVXAUSA-N 2 1 332.448 1.265 20 0 EDADMP CCc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000998825973 706272643 /nfs/dbraw/zinc/27/26/43/706272643.db2.gz NZNGCOKFMFGSMK-RBUKOAKNSA-N 2 1 345.487 1.660 20 0 EDADMP CCc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000998825973 706272644 /nfs/dbraw/zinc/27/26/44/706272644.db2.gz NZNGCOKFMFGSMK-RBUKOAKNSA-N 2 1 345.487 1.660 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000998866439 706295918 /nfs/dbraw/zinc/29/59/18/706295918.db2.gz JHZKWLUMKSUULF-ABHNRTSZSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)nc1 ZINC000999049348 706469876 /nfs/dbraw/zinc/46/98/76/706469876.db2.gz DTRUKGKGEDEAHC-UHFFFAOYSA-N 2 1 343.475 1.492 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC[C@H]3CCOC3)C[C@H]2CC1 ZINC000946518120 706574815 /nfs/dbraw/zinc/57/48/15/706574815.db2.gz OELPMVWZHZIWKG-INDMIFKZSA-N 2 1 349.519 1.678 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC000999347249 706858521 /nfs/dbraw/zinc/85/85/21/706858521.db2.gz HUDVKIFGLPRRNF-ZWKOTPCHSA-N 2 1 347.507 1.479 20 0 EDADMP Cc1nonc1CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000999350009 706862259 /nfs/dbraw/zinc/86/22/59/706862259.db2.gz VSMMWADVUCWDHR-HOTGVXAUSA-N 2 1 349.479 1.437 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999350009 706862261 /nfs/dbraw/zinc/86/22/61/706862261.db2.gz VSMMWADVUCWDHR-HOTGVXAUSA-N 2 1 349.479 1.437 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000999350009 706862263 /nfs/dbraw/zinc/86/22/63/706862263.db2.gz VSMMWADVUCWDHR-HOTGVXAUSA-N 2 1 349.479 1.437 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000999353038 706866148 /nfs/dbraw/zinc/86/61/48/706866148.db2.gz LNQASMXXVXXXED-IAGOWNOFSA-N 2 1 347.507 1.764 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000999372735 706867227 /nfs/dbraw/zinc/86/72/27/706867227.db2.gz PBQQBDHDNZJFFN-UKRRQHHQSA-N 2 1 345.472 1.998 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)s1 ZINC000999375893 706870126 /nfs/dbraw/zinc/87/01/26/706870126.db2.gz TYGDXEURXLVMFF-DZGCQCFKSA-N 2 1 337.493 1.267 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2ncccn2)C1 ZINC000999402115 706910301 /nfs/dbraw/zinc/91/03/01/706910301.db2.gz DLYMVQLLTKWGAS-UHFFFAOYSA-N 2 1 331.464 1.288 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2ncccn2)C1 ZINC000999402115 706910302 /nfs/dbraw/zinc/91/03/02/706910302.db2.gz DLYMVQLLTKWGAS-UHFFFAOYSA-N 2 1 331.464 1.288 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)n1 ZINC000999505571 707003137 /nfs/dbraw/zinc/00/31/37/707003137.db2.gz KFPKOTJWSCQQSG-UYSNPLJNSA-N 2 1 349.479 1.720 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)n1 ZINC000999505571 707003140 /nfs/dbraw/zinc/00/31/40/707003140.db2.gz KFPKOTJWSCQQSG-UYSNPLJNSA-N 2 1 349.479 1.720 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC000999573017 707079076 /nfs/dbraw/zinc/07/90/76/707079076.db2.gz HKBZBVKXHWJADJ-GOEBONIOSA-N 2 1 335.452 1.271 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC000999573017 707079081 /nfs/dbraw/zinc/07/90/81/707079081.db2.gz HKBZBVKXHWJADJ-GOEBONIOSA-N 2 1 335.452 1.271 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]Cc3nncs3)C2)CC1 ZINC000999600420 707102842 /nfs/dbraw/zinc/10/28/42/707102842.db2.gz AGUXWLQOLGRWOS-UHFFFAOYSA-N 2 1 337.493 1.349 20 0 EDADMP O=C([C@H]1CCCc2nc[nH]c21)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946776744 707211603 /nfs/dbraw/zinc/21/16/03/707211603.db2.gz SDSYRUPUZAQQLA-XHSDSOJGSA-N 2 1 346.475 1.382 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033256830 707258794 /nfs/dbraw/zinc/25/87/94/707258794.db2.gz ZUSBJZMEHMLOFQ-ZBFHGGJFSA-N 2 1 343.431 1.449 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033264848 707286703 /nfs/dbraw/zinc/28/67/03/707286703.db2.gz DOJGKUZPYIAWQG-HOTGVXAUSA-N 2 1 334.464 1.539 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033264848 707286707 /nfs/dbraw/zinc/28/67/07/707286707.db2.gz DOJGKUZPYIAWQG-HOTGVXAUSA-N 2 1 334.464 1.539 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2cnc(C)s2)C1 ZINC000999711556 707306690 /nfs/dbraw/zinc/30/66/90/707306690.db2.gz FPCBEIQQDJAIFD-AWEZNQCLSA-N 2 1 333.461 1.737 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999712232 707307886 /nfs/dbraw/zinc/30/78/86/707307886.db2.gz HHXABYKTCXCNTE-SFHVURJKSA-N 2 1 342.443 1.465 20 0 EDADMP C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCc3ccccc3)C2)O1 ZINC001033184890 707367217 /nfs/dbraw/zinc/36/72/17/707367217.db2.gz LMKFAMJOICFPOU-NZSAHSFTSA-N 2 1 345.487 1.481 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCc3ccccc3)C2)O1 ZINC001033184890 707367222 /nfs/dbraw/zinc/36/72/22/707367222.db2.gz LMKFAMJOICFPOU-NZSAHSFTSA-N 2 1 345.487 1.481 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCc3ccccc3)C2)O1 ZINC001033184890 707367228 /nfs/dbraw/zinc/36/72/28/707367228.db2.gz LMKFAMJOICFPOU-NZSAHSFTSA-N 2 1 345.487 1.481 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCc3ccccc3)C2)O1 ZINC001033184890 707367233 /nfs/dbraw/zinc/36/72/33/707367233.db2.gz LMKFAMJOICFPOU-NZSAHSFTSA-N 2 1 345.487 1.481 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCc3ccccc3)C2)O1 ZINC001033184890 707367240 /nfs/dbraw/zinc/36/72/40/707367240.db2.gz LMKFAMJOICFPOU-NZSAHSFTSA-N 2 1 345.487 1.481 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000999838440 707410207 /nfs/dbraw/zinc/41/02/07/707410207.db2.gz WWRJCPMYUGTLIN-VNCLNFNDSA-N 2 1 343.471 1.748 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)o1 ZINC001033197157 707415405 /nfs/dbraw/zinc/41/54/05/707415405.db2.gz HDXHMGDQTNVZFV-JKSUJKDBSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)o1 ZINC001033197157 707415406 /nfs/dbraw/zinc/41/54/06/707415406.db2.gz HDXHMGDQTNVZFV-JKSUJKDBSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)o1 ZINC001033197157 707415407 /nfs/dbraw/zinc/41/54/07/707415407.db2.gz HDXHMGDQTNVZFV-JKSUJKDBSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)o1 ZINC001033197157 707415408 /nfs/dbraw/zinc/41/54/08/707415408.db2.gz HDXHMGDQTNVZFV-JKSUJKDBSA-N 2 1 334.464 1.808 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000999836984 707473013 /nfs/dbraw/zinc/47/30/13/707473013.db2.gz NISDQXSFZRMFSG-IGEOTXOUSA-N 2 1 337.414 1.996 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)nc2)C1 ZINC000999876308 707523130 /nfs/dbraw/zinc/52/31/30/707523130.db2.gz LVIGINZMDZTBHW-DAWZGUTISA-N 2 1 345.491 1.738 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC000999996702 707676919 /nfs/dbraw/zinc/67/69/19/707676919.db2.gz FHIDQCSGGGQGHM-RTBURBONSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC000999996702 707676923 /nfs/dbraw/zinc/67/69/23/707676923.db2.gz FHIDQCSGGGQGHM-RTBURBONSA-N 2 1 345.487 1.876 20 0 EDADMP Cc1nnc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)[nH]1 ZINC001004931875 707694397 /nfs/dbraw/zinc/69/43/97/707694397.db2.gz WRWCPOKKYIYFQS-CJNGLKHVSA-N 2 1 348.495 1.314 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001033390675 707766051 /nfs/dbraw/zinc/76/60/51/707766051.db2.gz MCXFDFOEKQXEFQ-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP COc1ccnc(C[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001033391431 707767480 /nfs/dbraw/zinc/76/74/80/707767480.db2.gz RTPCKBIYZLONRW-KRWDZBQOSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccnc(C[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001033391431 707767485 /nfs/dbraw/zinc/76/74/85/707767485.db2.gz RTPCKBIYZLONRW-KRWDZBQOSA-N 2 1 346.475 1.465 20 0 EDADMP C[C@@H]([NH2+]Cc1cnon1)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004975049 707806705 /nfs/dbraw/zinc/80/67/05/707806705.db2.gz BPYDJWZBDUGNOG-UKRRQHHQSA-N 2 1 333.436 1.025 20 0 EDADMP Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)o1 ZINC001004976478 707810431 /nfs/dbraw/zinc/81/04/31/707810431.db2.gz GFWMRBOBAOKMRR-ZFWWWQNUSA-N 2 1 347.463 1.333 20 0 EDADMP Cc1nc[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@H]1CCOC1 ZINC001032753760 707826989 /nfs/dbraw/zinc/82/69/89/707826989.db2.gz LHAICQYRRIBAMN-JYJNAYRXSA-N 2 1 332.448 1.362 20 0 EDADMP CCc1nc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc(C)[nH+]1 ZINC001061603727 707839097 /nfs/dbraw/zinc/83/90/97/707839097.db2.gz FMFYFMFMYNRDSI-LSDHHAIUSA-N 2 1 331.464 1.242 20 0 EDADMP CCc1nc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc(C)[nH+]1 ZINC001061603727 707839103 /nfs/dbraw/zinc/83/91/03/707839103.db2.gz FMFYFMFMYNRDSI-LSDHHAIUSA-N 2 1 331.464 1.242 20 0 EDADMP CCn1ncc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)n1 ZINC001004990318 707851595 /nfs/dbraw/zinc/85/15/95/707851595.db2.gz HTMCHFSNZSHQOC-WBVHZDCISA-N 2 1 348.495 1.253 20 0 EDADMP Cc1nc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)co1 ZINC001004981090 707858946 /nfs/dbraw/zinc/85/89/46/707858946.db2.gz LVWZXSFDHQZQLQ-WMLDXEAASA-N 2 1 346.475 1.938 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001061607166 707873253 /nfs/dbraw/zinc/87/32/53/707873253.db2.gz DIMRJLOAKWQXKC-IRXDYDNUSA-N 2 1 345.491 1.910 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001061607166 707873255 /nfs/dbraw/zinc/87/32/55/707873255.db2.gz DIMRJLOAKWQXKC-IRXDYDNUSA-N 2 1 345.491 1.910 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033475014 707964736 /nfs/dbraw/zinc/96/47/36/707964736.db2.gz NTMSSZPQYDYBDZ-QGZVFWFLSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033489881 707984072 /nfs/dbraw/zinc/98/40/72/707984072.db2.gz KDRIKQZFNKULHE-SFHVURJKSA-N 2 1 347.507 1.781 20 0 EDADMP Cc1nc(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC001000915527 708076341 /nfs/dbraw/zinc/07/63/41/708076341.db2.gz DNRYJYXJGNHDRC-LSDHHAIUSA-N 2 1 336.505 1.526 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCOCC1 ZINC001032802470 708088502 /nfs/dbraw/zinc/08/85/02/708088502.db2.gz ABXZEXVDIMOUQN-FHWLQOOXSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032802470 708088505 /nfs/dbraw/zinc/08/85/05/708088505.db2.gz ABXZEXVDIMOUQN-FHWLQOOXSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032802470 708088509 /nfs/dbraw/zinc/08/85/09/708088509.db2.gz ABXZEXVDIMOUQN-FHWLQOOXSA-N 2 1 349.519 1.963 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)sn1 ZINC001005182609 708128910 /nfs/dbraw/zinc/12/89/10/708128910.db2.gz DYDAXCGAVCEBLQ-INIZCTEOSA-N 2 1 336.505 1.969 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCc2ccns2)CC1 ZINC001005183391 708133646 /nfs/dbraw/zinc/13/36/46/708133646.db2.gz HWPLOTOMIXWGIT-INIZCTEOSA-N 2 1 336.505 1.703 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033579988 708259638 /nfs/dbraw/zinc/25/96/38/708259638.db2.gz CCGADRPXIWZQJE-AEFFLSMTSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001033579988 708259639 /nfs/dbraw/zinc/25/96/39/708259639.db2.gz CCGADRPXIWZQJE-AEFFLSMTSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033579988 708259640 /nfs/dbraw/zinc/25/96/40/708259640.db2.gz CCGADRPXIWZQJE-AEFFLSMTSA-N 2 1 330.476 1.765 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001033586215 708276780 /nfs/dbraw/zinc/27/67/80/708276780.db2.gz SIZCMCRBDQWPFA-CVEARBPZSA-N 2 1 346.475 1.721 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001033586215 708276782 /nfs/dbraw/zinc/27/67/82/708276782.db2.gz SIZCMCRBDQWPFA-CVEARBPZSA-N 2 1 346.475 1.721 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592033 708290408 /nfs/dbraw/zinc/29/04/08/708290408.db2.gz FBDKGXVWRCPSFQ-CQSZACIVSA-N 2 1 334.489 1.580 20 0 EDADMP COc1cc(CN2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC001033583940 708308363 /nfs/dbraw/zinc/30/83/63/708308363.db2.gz ZEWWHZCQZHWQKV-DLBZAZTESA-N 2 1 346.475 1.465 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)ccn1 ZINC001033583940 708308365 /nfs/dbraw/zinc/30/83/65/708308365.db2.gz ZEWWHZCQZHWQKV-DLBZAZTESA-N 2 1 346.475 1.465 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)ccn1 ZINC001033583940 708308368 /nfs/dbraw/zinc/30/83/68/708308368.db2.gz ZEWWHZCQZHWQKV-DLBZAZTESA-N 2 1 346.475 1.465 20 0 EDADMP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)ccn1 ZINC001033583940 708308373 /nfs/dbraw/zinc/30/83/73/708308373.db2.gz ZEWWHZCQZHWQKV-DLBZAZTESA-N 2 1 346.475 1.465 20 0 EDADMP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC001033583940 708308376 /nfs/dbraw/zinc/30/83/76/708308376.db2.gz ZEWWHZCQZHWQKV-DLBZAZTESA-N 2 1 346.475 1.465 20 0 EDADMP CCn1ccnc1C[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001795476 708309877 /nfs/dbraw/zinc/30/98/77/708309877.db2.gz UIPCJSJUJXBBGQ-UHFFFAOYSA-N 2 1 347.507 1.573 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033663647 708444096 /nfs/dbraw/zinc/44/40/96/708444096.db2.gz WXWPORFSDBTTBA-FUHWJXTLSA-N 2 1 347.507 1.757 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033663647 708444099 /nfs/dbraw/zinc/44/40/99/708444099.db2.gz WXWPORFSDBTTBA-FUHWJXTLSA-N 2 1 347.507 1.757 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033663647 708444101 /nfs/dbraw/zinc/44/41/01/708444101.db2.gz WXWPORFSDBTTBA-FUHWJXTLSA-N 2 1 347.507 1.757 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033663647 708444105 /nfs/dbraw/zinc/44/41/05/708444105.db2.gz WXWPORFSDBTTBA-FUHWJXTLSA-N 2 1 347.507 1.757 20 0 EDADMP COc1ccnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033665565 708449135 /nfs/dbraw/zinc/44/91/35/708449135.db2.gz OZJOFUODFFTDKU-ZBFHGGJFSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ccnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033665565 708449138 /nfs/dbraw/zinc/44/91/38/708449138.db2.gz OZJOFUODFFTDKU-ZBFHGGJFSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ccnc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001033665565 708449142 /nfs/dbraw/zinc/44/91/42/708449142.db2.gz OZJOFUODFFTDKU-ZBFHGGJFSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ccnc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033665565 708449144 /nfs/dbraw/zinc/44/91/44/708449144.db2.gz OZJOFUODFFTDKU-ZBFHGGJFSA-N 2 1 332.448 1.075 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001033670201 708460521 /nfs/dbraw/zinc/46/05/21/708460521.db2.gz UPVZKXXCXSRLNQ-IAGOWNOFSA-N 2 1 334.464 1.683 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001033670201 708460522 /nfs/dbraw/zinc/46/05/22/708460522.db2.gz UPVZKXXCXSRLNQ-IAGOWNOFSA-N 2 1 334.464 1.683 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC001033662464 708478288 /nfs/dbraw/zinc/47/82/88/708478288.db2.gz QBVDLYIQWWSJRZ-CABCVRRESA-N 2 1 343.431 1.207 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc3nonc3c2)C1 ZINC001033662464 708478290 /nfs/dbraw/zinc/47/82/90/708478290.db2.gz QBVDLYIQWWSJRZ-CABCVRRESA-N 2 1 343.431 1.207 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc3nonc3c2)C1 ZINC001033662464 708478294 /nfs/dbraw/zinc/47/82/94/708478294.db2.gz QBVDLYIQWWSJRZ-CABCVRRESA-N 2 1 343.431 1.207 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685366 708499326 /nfs/dbraw/zinc/49/93/26/708499326.db2.gz SNDUXTWGXFSFGT-YJBOKZPZSA-N 2 1 333.476 1.929 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001033687198 708502943 /nfs/dbraw/zinc/50/29/43/708502943.db2.gz ZQUXEBBXYULRBF-HZPDHXFCSA-N 2 1 334.464 1.890 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001033687198 708502945 /nfs/dbraw/zinc/50/29/45/708502945.db2.gz ZQUXEBBXYULRBF-HZPDHXFCSA-N 2 1 334.464 1.890 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001033687198 708502946 /nfs/dbraw/zinc/50/29/46/708502946.db2.gz ZQUXEBBXYULRBF-HZPDHXFCSA-N 2 1 334.464 1.890 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001033687198 708502948 /nfs/dbraw/zinc/50/29/48/708502948.db2.gz ZQUXEBBXYULRBF-HZPDHXFCSA-N 2 1 334.464 1.890 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](CCCO)CC1 ZINC001002038231 708559647 /nfs/dbraw/zinc/55/96/47/708559647.db2.gz UZILPZITIBJAPP-GOSISDBHSA-N 2 1 339.524 1.852 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3coc(C4CC4)n3)CC2)C1 ZINC001002127358 708643278 /nfs/dbraw/zinc/64/32/78/708643278.db2.gz REOQVCATBSYSMU-INIZCTEOSA-N 2 1 346.475 1.832 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3coc(C4CC4)n3)CC2)C1 ZINC001002127358 708643280 /nfs/dbraw/zinc/64/32/80/708643280.db2.gz REOQVCATBSYSMU-INIZCTEOSA-N 2 1 346.475 1.832 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC001033772740 708671085 /nfs/dbraw/zinc/67/10/85/708671085.db2.gz BVVLTGUGHGKQDA-SJLPKXTDSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ncccc2C)C1 ZINC001033772740 708671087 /nfs/dbraw/zinc/67/10/87/708671087.db2.gz BVVLTGUGHGKQDA-SJLPKXTDSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ncccc2C)C1 ZINC001033772740 708671088 /nfs/dbraw/zinc/67/10/88/708671088.db2.gz BVVLTGUGHGKQDA-SJLPKXTDSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC001033773475 708672357 /nfs/dbraw/zinc/67/23/57/708672357.db2.gz GFQUSKIVMNLJSL-GOEBONIOSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC001033773475 708672358 /nfs/dbraw/zinc/67/23/58/708672358.db2.gz GFQUSKIVMNLJSL-GOEBONIOSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cnc(C)s2)C1 ZINC001033773475 708672359 /nfs/dbraw/zinc/67/23/59/708672359.db2.gz GFQUSKIVMNLJSL-GOEBONIOSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cnc(C)s2)C1 ZINC001033773475 708672360 /nfs/dbraw/zinc/67/23/60/708672360.db2.gz GFQUSKIVMNLJSL-GOEBONIOSA-N 2 1 336.505 1.969 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001002138779 708675984 /nfs/dbraw/zinc/67/59/84/708675984.db2.gz NAUANTOGUGJGRM-KRWDZBQOSA-N 2 1 339.524 1.972 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001002138779 708675987 /nfs/dbraw/zinc/67/59/87/708675987.db2.gz NAUANTOGUGJGRM-KRWDZBQOSA-N 2 1 339.524 1.972 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033826712 708820736 /nfs/dbraw/zinc/82/07/36/708820736.db2.gz UABONEGLRRLMSQ-DLBZAZTESA-N 2 1 348.495 1.074 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001033826712 708820738 /nfs/dbraw/zinc/82/07/38/708820738.db2.gz UABONEGLRRLMSQ-DLBZAZTESA-N 2 1 348.495 1.074 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001033826712 708820739 /nfs/dbraw/zinc/82/07/39/708820739.db2.gz UABONEGLRRLMSQ-DLBZAZTESA-N 2 1 348.495 1.074 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC[NH+](CC2CCC2)CC1 ZINC001005424455 708942471 /nfs/dbraw/zinc/94/24/71/708942471.db2.gz JTLMAOPBNJFHPX-MSOLQXFVSA-N 2 1 335.492 1.573 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC001002459454 708983217 /nfs/dbraw/zinc/98/32/17/708983217.db2.gz ICVSZFTUWUTKGU-MSOLQXFVSA-N 2 1 349.450 1.534 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC3CCC4(CC4)CC3)CC2)C1 ZINC001002535116 709092528 /nfs/dbraw/zinc/09/25/28/709092528.db2.gz PPZQPVGONYDXLM-GOSISDBHSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC3CCC4(CC4)CC3)CC2)C1 ZINC001002535116 709092530 /nfs/dbraw/zinc/09/25/30/709092530.db2.gz PPZQPVGONYDXLM-GOSISDBHSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC3CC4(CCC4)C3)CC2)C1 ZINC001002536812 709094324 /nfs/dbraw/zinc/09/43/24/709094324.db2.gz WEZPPLSMBBGSRO-QGZVFWFLSA-N 2 1 335.492 1.478 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC3CC4(CCC4)C3)CC2)C1 ZINC001002536812 709094325 /nfs/dbraw/zinc/09/43/25/709094325.db2.gz WEZPPLSMBBGSRO-QGZVFWFLSA-N 2 1 335.492 1.478 20 0 EDADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001033988687 709194829 /nfs/dbraw/zinc/19/48/29/709194829.db2.gz HCTXXMXRFSWWAS-QAPCUYQASA-N 2 1 333.476 1.665 20 0 EDADMP CCN(C(=O)c1cc(-n2ccnc2)ccn1)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034008735 709219595 /nfs/dbraw/zinc/21/95/95/709219595.db2.gz BRYGHUNMLAGSRU-HOCLYGCPSA-N 2 1 343.431 1.185 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC001034013392 709227432 /nfs/dbraw/zinc/22/74/32/709227432.db2.gz OIXAESLZTFCXOU-SFHVURJKSA-N 2 1 342.487 1.909 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC001005496951 709231163 /nfs/dbraw/zinc/23/11/63/709231163.db2.gz KAEJZVTVAQBUKY-CVEARBPZSA-N 2 1 325.497 1.268 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001034015714 709232113 /nfs/dbraw/zinc/23/21/13/709232113.db2.gz JGMOKGMOYPQODF-HNNXBMFYSA-N 2 1 348.516 1.704 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001034018132 709235909 /nfs/dbraw/zinc/23/59/09/709235909.db2.gz XLSIMQZBAICUOE-QGZVFWFLSA-N 2 1 343.475 1.304 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001034018132 709235911 /nfs/dbraw/zinc/23/59/11/709235911.db2.gz XLSIMQZBAICUOE-QGZVFWFLSA-N 2 1 343.475 1.304 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCc2cnn(CC)c2)C1 ZINC001034037730 709270239 /nfs/dbraw/zinc/27/02/39/709270239.db2.gz DWYPMUIRLXGSPB-ZWKOTPCHSA-N 2 1 347.507 1.320 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001034037730 709270242 /nfs/dbraw/zinc/27/02/42/709270242.db2.gz DWYPMUIRLXGSPB-ZWKOTPCHSA-N 2 1 347.507 1.320 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001034037730 709270245 /nfs/dbraw/zinc/27/02/45/709270245.db2.gz DWYPMUIRLXGSPB-ZWKOTPCHSA-N 2 1 347.507 1.320 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC001034043480 709294663 /nfs/dbraw/zinc/29/46/63/709294663.db2.gz VJZCEFQQJZCRFS-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2scnc2C)C1 ZINC001034043480 709294666 /nfs/dbraw/zinc/29/46/66/709294666.db2.gz VJZCEFQQJZCRFS-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2scnc2C)C1 ZINC001034043480 709294668 /nfs/dbraw/zinc/29/46/68/709294668.db2.gz VJZCEFQQJZCRFS-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001034044503 709296372 /nfs/dbraw/zinc/29/63/72/709296372.db2.gz BSVLSXMFKVVSHM-RHSMWYFYSA-N 2 1 346.475 1.158 20 0 EDADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001034044503 709296375 /nfs/dbraw/zinc/29/63/75/709296375.db2.gz BSVLSXMFKVVSHM-RHSMWYFYSA-N 2 1 346.475 1.158 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001005502263 709330029 /nfs/dbraw/zinc/33/00/29/709330029.db2.gz BIWSAVOYNSZSFH-GOEBONIOSA-N 2 1 334.464 1.718 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001034131602 709401372 /nfs/dbraw/zinc/40/13/72/709401372.db2.gz NSGQQUZQJZPOAB-HOTGVXAUSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001034131602 709401374 /nfs/dbraw/zinc/40/13/74/709401374.db2.gz NSGQQUZQJZPOAB-HOTGVXAUSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)o1 ZINC001034131602 709401376 /nfs/dbraw/zinc/40/13/76/709401376.db2.gz NSGQQUZQJZPOAB-HOTGVXAUSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)o1 ZINC001034131602 709401378 /nfs/dbraw/zinc/40/13/78/709401378.db2.gz NSGQQUZQJZPOAB-HOTGVXAUSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1ccccc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034149696 709421750 /nfs/dbraw/zinc/42/17/50/709421750.db2.gz ZGRXOZAOUPDCKE-OALUTQOASA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034149696 709421751 /nfs/dbraw/zinc/42/17/51/709421751.db2.gz ZGRXOZAOUPDCKE-OALUTQOASA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149696 709421752 /nfs/dbraw/zinc/42/17/52/709421752.db2.gz ZGRXOZAOUPDCKE-OALUTQOASA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149696 709421753 /nfs/dbraw/zinc/42/17/53/709421753.db2.gz ZGRXOZAOUPDCKE-OALUTQOASA-N 2 1 345.487 1.796 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001032828554 709453018 /nfs/dbraw/zinc/45/30/18/709453018.db2.gz KSNDUMLSTAMTFW-FRRDWIJNSA-N 2 1 334.291 1.855 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001032828554 709453019 /nfs/dbraw/zinc/45/30/19/709453019.db2.gz KSNDUMLSTAMTFW-FRRDWIJNSA-N 2 1 334.291 1.855 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001032828554 709453020 /nfs/dbraw/zinc/45/30/20/709453020.db2.gz KSNDUMLSTAMTFW-FRRDWIJNSA-N 2 1 334.291 1.855 20 0 EDADMP Cn1nccc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034207701 709555838 /nfs/dbraw/zinc/55/58/38/709555838.db2.gz NSFYNBGHVWONTQ-AEFFLSMTSA-N 2 1 345.491 1.233 20 0 EDADMP Cn1nccc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034207701 709555840 /nfs/dbraw/zinc/55/58/40/709555840.db2.gz NSFYNBGHVWONTQ-AEFFLSMTSA-N 2 1 345.491 1.233 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cncn2C)C1 ZINC001034238156 709618344 /nfs/dbraw/zinc/61/83/44/709618344.db2.gz AOMDNSWPCXULHH-SJLPKXTDSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cncn2C)C1 ZINC001034238156 709618346 /nfs/dbraw/zinc/61/83/46/709618346.db2.gz AOMDNSWPCXULHH-SJLPKXTDSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cncn2C)C1 ZINC001034238156 709618348 /nfs/dbraw/zinc/61/83/48/709618348.db2.gz AOMDNSWPCXULHH-SJLPKXTDSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cncn2C)C1 ZINC001034238156 709618351 /nfs/dbraw/zinc/61/83/51/709618351.db2.gz AOMDNSWPCXULHH-SJLPKXTDSA-N 2 1 347.507 1.765 20 0 EDADMP C[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000702618478 709686220 /nfs/dbraw/zinc/68/62/20/709686220.db2.gz BTLKXVIVAQXCHR-LJQANCHMSA-N 2 1 331.460 1.081 20 0 EDADMP CO[C@H](C[N@@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1)C1CCC1 ZINC001034310394 709753431 /nfs/dbraw/zinc/75/34/31/709753431.db2.gz XHZVPFAUMHGWHF-ZWKOTPCHSA-N 2 1 348.491 1.977 20 0 EDADMP CO[C@H](C[N@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1)C1CCC1 ZINC001034310394 709753437 /nfs/dbraw/zinc/75/34/37/709753437.db2.gz XHZVPFAUMHGWHF-ZWKOTPCHSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001034310474 709753944 /nfs/dbraw/zinc/75/39/44/709753944.db2.gz YLFUGGBXNKBMHD-SJORKVTESA-N 2 1 334.464 1.589 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001034310474 709753947 /nfs/dbraw/zinc/75/39/47/709753947.db2.gz YLFUGGBXNKBMHD-SJORKVTESA-N 2 1 334.464 1.589 20 0 EDADMP O=C(NC1CC[NH+](C[C@@H]2CCCCO2)CC1)[C@@H]1CCCc2[nH+]ccn21 ZINC001003015949 709802671 /nfs/dbraw/zinc/80/26/71/709802671.db2.gz GDHJFTDFMQFKOQ-IRXDYDNUSA-N 2 1 346.475 1.910 20 0 EDADMP Cn1cncc1C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340297 709803172 /nfs/dbraw/zinc/80/31/72/709803172.db2.gz NCNJTIXMFWHRFC-MRXNPFEDSA-N 2 1 347.507 1.765 20 0 EDADMP Cn1cncc1C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340297 709803179 /nfs/dbraw/zinc/80/31/79/709803179.db2.gz NCNJTIXMFWHRFC-MRXNPFEDSA-N 2 1 347.507 1.765 20 0 EDADMP Cn1cc(C[N@H+]2CCCC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001034430482 709997537 /nfs/dbraw/zinc/99/75/37/709997537.db2.gz FXQNLAHHTMZEOQ-SFHVURJKSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001003128657 710026668 /nfs/dbraw/zinc/02/66/68/710026668.db2.gz QDCVMLGKDZRUFQ-UHFFFAOYSA-N 2 1 345.491 1.377 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001034460170 710077142 /nfs/dbraw/zinc/07/71/42/710077142.db2.gz COCCCJMTZSAHEW-QZTJIDSGSA-N 2 1 337.508 1.726 20 0 EDADMP COC[C@@H](CCC[NH3+])Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000423029887 710170203 /nfs/dbraw/zinc/17/02/03/710170203.db2.gz IXNFEWNZKVNPSU-MRXNPFEDSA-N 2 1 335.492 1.981 20 0 EDADMP Cn1nccc1CC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527711 710180998 /nfs/dbraw/zinc/18/09/98/710180998.db2.gz GFRYRQDTJBHVRL-INIZCTEOSA-N 2 1 333.480 1.029 20 0 EDADMP CC(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003331268 710255487 /nfs/dbraw/zinc/25/54/87/710255487.db2.gz GFIBYPNZBDQRTO-RMXPPQQLSA-N 2 1 335.492 1.476 20 0 EDADMP CCOC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001034606745 710269928 /nfs/dbraw/zinc/26/99/28/710269928.db2.gz CJSVQICGYFLEPZ-LZJIOBQVSA-N 2 1 337.508 1.913 20 0 EDADMP CCCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001034607840 710277085 /nfs/dbraw/zinc/27/70/85/710277085.db2.gz ALIAQXCVLJDVGM-KKUMJFAQSA-N 2 1 349.479 1.633 20 0 EDADMP CCCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001034607840 710277086 /nfs/dbraw/zinc/27/70/86/710277086.db2.gz ALIAQXCVLJDVGM-KKUMJFAQSA-N 2 1 349.479 1.633 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC001034607855 710280273 /nfs/dbraw/zinc/28/02/73/710280273.db2.gz UJZPPUREOIWNSJ-LUKYLMHMSA-N 2 1 337.508 1.913 20 0 EDADMP CCn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC001034610392 710284659 /nfs/dbraw/zinc/28/46/59/710284659.db2.gz NMPPQEMQOWUCKG-KZNAEPCWSA-N 2 1 347.507 1.557 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(NCCn2ccnc2)cc1 ZINC000922167035 710315220 /nfs/dbraw/zinc/31/52/20/710315220.db2.gz LMDHWAASCLBPBI-KRWDZBQOSA-N 2 1 327.432 1.819 20 0 EDADMP CCN1CC[C@H]1CNC(=O)c1ccc(NCCn2ccnc2)cc1 ZINC000922167035 710315222 /nfs/dbraw/zinc/31/52/22/710315222.db2.gz LMDHWAASCLBPBI-KRWDZBQOSA-N 2 1 327.432 1.819 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032841587 710331628 /nfs/dbraw/zinc/33/16/28/710331628.db2.gz IYCNOCXQJIBUSQ-KBAYOESNSA-N 2 1 331.460 1.252 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032841587 710331630 /nfs/dbraw/zinc/33/16/30/710331630.db2.gz IYCNOCXQJIBUSQ-KBAYOESNSA-N 2 1 331.460 1.252 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032841587 710331632 /nfs/dbraw/zinc/33/16/32/710331632.db2.gz IYCNOCXQJIBUSQ-KBAYOESNSA-N 2 1 331.460 1.252 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCCOC3)CC2)CC[N@H+]1C ZINC001003492443 710375173 /nfs/dbraw/zinc/37/51/73/710375173.db2.gz MKLBGFKFLWAKJM-ULQDDVLXSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nnc([C@@H](C)N2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC001003508944 710390076 /nfs/dbraw/zinc/39/00/76/710390076.db2.gz VNZBSDHJOUISBR-GUTXKFCHSA-N 2 1 349.479 1.750 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC001003632680 710461236 /nfs/dbraw/zinc/46/12/36/710461236.db2.gz BRDGZLNXJUFFAV-BEFAXECRSA-N 2 1 345.487 1.974 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003636866 710461553 /nfs/dbraw/zinc/46/15/53/710461553.db2.gz XUEKRCSCHZWGNC-FZMZJTMJSA-N 2 1 337.493 1.125 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003636866 710461555 /nfs/dbraw/zinc/46/15/55/710461555.db2.gz XUEKRCSCHZWGNC-FZMZJTMJSA-N 2 1 337.493 1.125 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)sn1 ZINC001003634813 710462416 /nfs/dbraw/zinc/46/24/16/710462416.db2.gz MORUDDQOWQDPGN-BLLLJJGKSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)sn1 ZINC001003634813 710462417 /nfs/dbraw/zinc/46/24/17/710462417.db2.gz MORUDDQOWQDPGN-BLLLJJGKSA-N 2 1 336.505 1.730 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001003636268 710463241 /nfs/dbraw/zinc/46/32/41/710463241.db2.gz UODGJGXOEIRXGU-DYVFJYSZSA-N 2 1 334.439 1.499 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001003636268 710463244 /nfs/dbraw/zinc/46/32/44/710463244.db2.gz UODGJGXOEIRXGU-DYVFJYSZSA-N 2 1 334.439 1.499 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001003737046 710518247 /nfs/dbraw/zinc/51/82/47/710518247.db2.gz DOEUMGZARWCYRV-GOSISDBHSA-N 2 1 347.507 1.764 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1)C12CCC[NH+]1CCC2 ZINC001034681791 710668370 /nfs/dbraw/zinc/66/83/70/710668370.db2.gz FRTBGVAZKIBQPV-HDJSIYSDSA-N 2 1 349.504 1.684 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnon3)CC2)C1 ZINC001034711526 710867660 /nfs/dbraw/zinc/86/76/60/710867660.db2.gz CPEUHGBEAQORDY-JYJNAYRXSA-N 2 1 349.479 1.709 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)no1 ZINC001034734081 710915213 /nfs/dbraw/zinc/91/52/13/710915213.db2.gz JXPPTSNUFILLTC-BPUTZDHNSA-N 2 1 334.464 1.842 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034734967 710918543 /nfs/dbraw/zinc/91/85/43/710918543.db2.gz CTUFIQCLPDSEEU-IHRRRGAJSA-N 2 1 337.493 1.539 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1 ZINC001034738202 710952888 /nfs/dbraw/zinc/95/28/88/710952888.db2.gz RFMCJTRRGLJFKE-BHPKHCPMSA-N 2 1 337.493 1.253 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1 ZINC001034738202 710952892 /nfs/dbraw/zinc/95/28/92/710952892.db2.gz RFMCJTRRGLJFKE-BHPKHCPMSA-N 2 1 337.493 1.253 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC001032960371 710969204 /nfs/dbraw/zinc/96/92/04/710969204.db2.gz RKTPEKUXTAPXGV-SJLPKXTDSA-N 2 1 349.450 1.445 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC001032960371 710969210 /nfs/dbraw/zinc/96/92/10/710969210.db2.gz RKTPEKUXTAPXGV-SJLPKXTDSA-N 2 1 349.450 1.445 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cc(CO)ccc2F)C1 ZINC001032960371 710969214 /nfs/dbraw/zinc/96/92/14/710969214.db2.gz RKTPEKUXTAPXGV-SJLPKXTDSA-N 2 1 349.450 1.445 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cc(CO)ccc2F)C1 ZINC001032960371 710969217 /nfs/dbraw/zinc/96/92/17/710969217.db2.gz RKTPEKUXTAPXGV-SJLPKXTDSA-N 2 1 349.450 1.445 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC001032959791 710992330 /nfs/dbraw/zinc/99/23/30/710992330.db2.gz JRMDWXXUGIRRER-WMLDXEAASA-N 2 1 343.431 1.350 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc3nonc3c2)C1 ZINC001032959791 710992334 /nfs/dbraw/zinc/99/23/34/710992334.db2.gz JRMDWXXUGIRRER-WMLDXEAASA-N 2 1 343.431 1.350 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)nc1 ZINC001034775542 711049101 /nfs/dbraw/zinc/04/91/01/711049101.db2.gz CKNUMDQZKILKGD-BRWVUGGUSA-N 2 1 345.491 1.644 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034776768 711053953 /nfs/dbraw/zinc/05/39/53/711053953.db2.gz YXBQYVRHPJMBAV-DTZQCDIJSA-N 2 1 349.479 1.798 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034776768 711053958 /nfs/dbraw/zinc/05/39/58/711053958.db2.gz YXBQYVRHPJMBAV-DTZQCDIJSA-N 2 1 349.479 1.798 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC001034777763 711057088 /nfs/dbraw/zinc/05/70/88/711057088.db2.gz KHGOFMWBISIURP-HDJSIYSDSA-N 2 1 347.463 1.245 20 0 EDADMP Cn1nccc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034778294 711079513 /nfs/dbraw/zinc/07/95/13/711079513.db2.gz GQJBAGPIZGSVLT-BZUAXINKSA-N 2 1 333.480 1.279 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC001034779067 711083351 /nfs/dbraw/zinc/08/33/51/711083351.db2.gz NWDMXULPAQKMLD-BZUAXINKSA-N 2 1 334.464 1.842 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCCCO3)CC2)C1 ZINC001034792465 711119015 /nfs/dbraw/zinc/11/90/15/711119015.db2.gz KBBZLNFSURWLLN-BRSBDYLESA-N 2 1 337.508 1.914 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC001003973705 711129489 /nfs/dbraw/zinc/12/94/89/711129489.db2.gz DWFYLUYGRPJVBG-VQIMIIECSA-N 2 1 345.487 1.642 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CCO[C@H]3CC3(F)F)CC2)C1 ZINC001003974793 711135031 /nfs/dbraw/zinc/13/50/31/711135031.db2.gz KDGLNNRSBPKENY-ZFWWWQNUSA-N 2 1 345.434 1.333 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]C[C@H]2CCOC2)cc1 ZINC001034821212 711222236 /nfs/dbraw/zinc/22/22/36/711222236.db2.gz RXQKDCKVMKCLKU-MOPGFXCFSA-N 2 1 345.487 1.913 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]CC3CCOCC3)cc2)C1 ZINC001034832416 711239145 /nfs/dbraw/zinc/23/91/45/711239145.db2.gz SUXKCMBMESLUFW-IBGZPJMESA-N 2 1 345.487 1.771 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(C)o1 ZINC001034953796 711419277 /nfs/dbraw/zinc/41/92/77/711419277.db2.gz JBUGTVRPPZEMPZ-NVXWUHKLSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001034954902 711421494 /nfs/dbraw/zinc/42/14/94/711421494.db2.gz XCNSBPOSZVZQSA-IAGOWNOFSA-N 2 1 333.480 1.375 20 0 EDADMP COc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)c1 ZINC001034958076 711431076 /nfs/dbraw/zinc/43/10/76/711431076.db2.gz YTVUJYZRKYFSHB-QGZVFWFLSA-N 2 1 346.475 1.655 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc4n3CCOC4)C2)[C@@H]1C(C)C ZINC000922393006 711458318 /nfs/dbraw/zinc/45/83/18/711458318.db2.gz IYNHFAYOLPGHIS-ZAWLATJESA-N 2 1 348.491 1.373 20 0 EDADMP Cc1ncsc1CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004146971 711558385 /nfs/dbraw/zinc/55/83/85/711558385.db2.gz CDLOMCMBHMNGLJ-CQSZACIVSA-N 2 1 336.505 1.526 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC001004149070 711562994 /nfs/dbraw/zinc/56/29/94/711562994.db2.gz DFPHWJKZKMVMTA-CRAIPNDOSA-N 2 1 349.450 1.391 20 0 EDADMP CCc1onc(C)c1C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004149511 711563284 /nfs/dbraw/zinc/56/32/84/711563284.db2.gz KIGOTFGUPHTHCG-AWEZNQCLSA-N 2 1 334.464 1.578 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC3=CCCCC3)CC2)C1 ZINC001004185854 711627562 /nfs/dbraw/zinc/62/75/62/711627562.db2.gz NKDWWZHVJIDUIX-GOSISDBHSA-N 2 1 335.492 1.788 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC3=CCCCC3)CC2)C1 ZINC001004185854 711627565 /nfs/dbraw/zinc/62/75/65/711627565.db2.gz NKDWWZHVJIDUIX-GOSISDBHSA-N 2 1 335.492 1.788 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004520208 711919125 /nfs/dbraw/zinc/91/91/25/711919125.db2.gz BWWGYSDZZXULKF-GOSISDBHSA-N 2 1 337.508 1.678 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCN(Cc2ccon2)C1 ZINC001033146157 712010318 /nfs/dbraw/zinc/01/03/18/712010318.db2.gz OBAJWACMRBWYEP-SJORKVTESA-N 2 1 334.464 1.970 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]2CC1)[NH+](C)C ZINC000946642839 712128955 /nfs/dbraw/zinc/12/89/55/712128955.db2.gz RMBRUGXNOCKXQW-SOLBZPMBSA-N 2 1 347.507 1.431 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000378120467 282091682 /nfs/dbraw/zinc/09/16/82/282091682.db2.gz HUQSIFHGAWCGRV-DLBZAZTESA-N 2 1 339.528 1.138 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000378120467 282091684 /nfs/dbraw/zinc/09/16/84/282091684.db2.gz HUQSIFHGAWCGRV-DLBZAZTESA-N 2 1 339.528 1.138 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000378120467 282091686 /nfs/dbraw/zinc/09/16/86/282091686.db2.gz HUQSIFHGAWCGRV-DLBZAZTESA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCCN(C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC[NH+](C)C ZINC000378120467 282091687 /nfs/dbraw/zinc/09/16/87/282091687.db2.gz HUQSIFHGAWCGRV-DLBZAZTESA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCCN(C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)CC[NH+](C)C ZINC000378120467 282091690 /nfs/dbraw/zinc/09/16/90/282091690.db2.gz HUQSIFHGAWCGRV-DLBZAZTESA-N 2 1 339.528 1.138 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]2C(=O)N(C)C[C@@H]21 ZINC000344255524 282251003 /nfs/dbraw/zinc/25/10/03/282251003.db2.gz MBQTZUFIDLAJQX-SJORKVTESA-N 2 1 325.416 1.628 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]2C(=O)N(C)C[C@@H]21 ZINC000344255524 282251005 /nfs/dbraw/zinc/25/10/05/282251005.db2.gz MBQTZUFIDLAJQX-SJORKVTESA-N 2 1 325.416 1.628 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCC(=O)OC(C)(C)C)C2)CC1 ZINC000174881712 529776496 /nfs/dbraw/zinc/77/64/96/529776496.db2.gz GRLWTHUOLBLLAW-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCC(=O)OC(C)(C)C)C2)CC1 ZINC000174881712 529776497 /nfs/dbraw/zinc/77/64/97/529776497.db2.gz GRLWTHUOLBLLAW-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)[nH]c1=O ZINC000101518449 219130653 /nfs/dbraw/zinc/13/06/53/219130653.db2.gz ZKCIUVYUZKNOCV-HNNXBMFYSA-N 2 1 334.464 1.171 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000169212020 529993635 /nfs/dbraw/zinc/99/36/35/529993635.db2.gz QLHOHXKDBWJDOL-WMLDXEAASA-N 2 1 346.475 1.647 20 0 EDADMP O=C(NCc1c[nH+]c2n1CCCC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000560115265 306261383 /nfs/dbraw/zinc/26/13/83/306261383.db2.gz RTMHXWWFGUZZIT-OAHLLOKOSA-N 2 1 331.464 1.989 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000357922204 299119576 /nfs/dbraw/zinc/11/95/76/299119576.db2.gz RICKYDPRCUQXGE-ZMSDIMECSA-N 2 1 336.480 1.141 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000357922204 299119578 /nfs/dbraw/zinc/11/95/78/299119578.db2.gz RICKYDPRCUQXGE-ZMSDIMECSA-N 2 1 336.480 1.141 20 0 EDADMP C[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)C[NH+]1CCOCC1 ZINC000561259594 306285996 /nfs/dbraw/zinc/28/59/96/306285996.db2.gz SHVDRCSQIHTIPA-MRXNPFEDSA-N 2 1 333.476 1.489 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000339283886 539705822 /nfs/dbraw/zinc/70/58/22/539705822.db2.gz QISLQCLABOGXOJ-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000103311170 219289294 /nfs/dbraw/zinc/28/92/94/219289294.db2.gz SHDXHCWAYZLSQC-SFHVURJKSA-N 2 1 332.492 1.802 20 0 EDADMP CC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103311170 219289297 /nfs/dbraw/zinc/28/92/97/219289297.db2.gz SHDXHCWAYZLSQC-SFHVURJKSA-N 2 1 332.492 1.802 20 0 EDADMP CC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103311170 219289300 /nfs/dbraw/zinc/28/93/00/219289300.db2.gz SHDXHCWAYZLSQC-SFHVURJKSA-N 2 1 332.492 1.802 20 0 EDADMP CC[NH+](CC)CCNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000068017851 215270829 /nfs/dbraw/zinc/27/08/29/215270829.db2.gz XEGZWKYVCMTNDV-UHFFFAOYSA-N 2 1 332.492 1.506 20 0 EDADMP OCC[C@H]1CCCCC[NH+]1CC(O)C[N@@H+]1CCCCC[C@@H]1CCO ZINC000342041275 539755866 /nfs/dbraw/zinc/75/58/66/539755866.db2.gz BSSPVUHSOHGMDX-QZTJIDSGSA-N 2 1 342.524 1.601 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[N@H+](C)C1 ZINC000343326440 539785587 /nfs/dbraw/zinc/78/55/87/539785587.db2.gz XHALWJBJXHLKID-ROUUACIJSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[N@@H+](C)C1 ZINC000343326440 539785590 /nfs/dbraw/zinc/78/55/90/539785590.db2.gz XHALWJBJXHLKID-ROUUACIJSA-N 2 1 331.460 1.486 20 0 EDADMP CC[NH+](CC)CC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000104438851 219387533 /nfs/dbraw/zinc/38/75/33/219387533.db2.gz ZHADMANAFXNFIQ-UHFFFAOYSA-N 2 1 346.519 1.604 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)[N@@H+](C)C1 ZINC000347225306 539863340 /nfs/dbraw/zinc/86/33/40/539863340.db2.gz FXIKTJVFFCGJET-IRXDYDNUSA-N 2 1 335.448 1.002 20 0 EDADMP CC[NH+](CC)Cc1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000350122764 539871009 /nfs/dbraw/zinc/87/10/09/539871009.db2.gz YETHGAWHXXEYSV-UHFFFAOYSA-N 2 1 330.436 1.725 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000562789359 306308999 /nfs/dbraw/zinc/30/89/99/306308999.db2.gz UXGITNCIAYSHPJ-UHFFFAOYSA-N 2 1 346.475 1.411 20 0 EDADMP C[N@@H+](C[C@H](O)CNC[C@@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000562984353 306314811 /nfs/dbraw/zinc/31/48/11/306314811.db2.gz JNTSHGCGAHURRO-AZUAARDMSA-N 2 1 331.504 1.596 20 0 EDADMP C[NH+](C[C@H](O)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000562984353 306314812 /nfs/dbraw/zinc/31/48/12/306314812.db2.gz JNTSHGCGAHURRO-AZUAARDMSA-N 2 1 331.504 1.596 20 0 EDADMP C[NH+](C[C@H](O)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000562984353 306314813 /nfs/dbraw/zinc/31/48/13/306314813.db2.gz JNTSHGCGAHURRO-AZUAARDMSA-N 2 1 331.504 1.596 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563083317 306318029 /nfs/dbraw/zinc/31/80/29/306318029.db2.gz HMACFPPOEUJUMO-MPGHIAIKSA-N 2 1 331.460 1.533 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563083317 306318030 /nfs/dbraw/zinc/31/80/30/306318030.db2.gz HMACFPPOEUJUMO-MPGHIAIKSA-N 2 1 331.460 1.533 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385723002 540189060 /nfs/dbraw/zinc/18/90/60/540189060.db2.gz NJHRGNZVNNWLTM-MJGOQNOKSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385723002 540189064 /nfs/dbraw/zinc/18/90/64/540189064.db2.gz NJHRGNZVNNWLTM-MJGOQNOKSA-N 2 1 344.503 1.261 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCN(c3ncccn3)CC2)[C@@H]2CCC[C@H]21 ZINC000367604403 283136131 /nfs/dbraw/zinc/13/61/31/283136131.db2.gz BKJOBTKLLRGFCC-OKZBNKHCSA-N 2 1 344.507 1.061 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000360170768 283165818 /nfs/dbraw/zinc/16/58/18/283165818.db2.gz KQTPACCJIWJSQD-MRXNPFEDSA-N 2 1 340.512 1.215 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000417809239 283170509 /nfs/dbraw/zinc/17/05/09/283170509.db2.gz GOIFMKLLUJGVLH-HNNXBMFYSA-N 2 1 326.485 1.115 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000074493858 138236691 /nfs/dbraw/zinc/23/66/91/138236691.db2.gz JIEZAOFZDLCAQS-NVXWUHKLSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000074493858 138236692 /nfs/dbraw/zinc/23/66/92/138236692.db2.gz JIEZAOFZDLCAQS-NVXWUHKLSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000074493858 138236693 /nfs/dbraw/zinc/23/66/93/138236693.db2.gz JIEZAOFZDLCAQS-NVXWUHKLSA-N 2 1 338.496 1.365 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N[C@H]1CCC[NH2+]C1 ZINC000563550205 306338512 /nfs/dbraw/zinc/33/85/12/306338512.db2.gz KHTYBYOLYMLWIN-KRWDZBQOSA-N 2 1 332.448 1.070 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000076323852 138248031 /nfs/dbraw/zinc/24/80/31/138248031.db2.gz BOQIQUDDTJIMGC-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000083215323 138268989 /nfs/dbraw/zinc/26/89/89/138268989.db2.gz LILZZZBBISFDDU-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[NH+]1CCC(N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000092165685 138286593 /nfs/dbraw/zinc/28/65/93/138286593.db2.gz QQNGXMQNOPSVJX-UHFFFAOYSA-N 2 1 346.523 1.535 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000090579995 138279690 /nfs/dbraw/zinc/27/96/90/138279690.db2.gz QXRTVQGFCBKTEW-MGPQQGTHSA-N 2 1 345.534 1.687 20 0 EDADMP Cn1ccnc1C[C@@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 ZINC000123786878 138321259 /nfs/dbraw/zinc/32/12/59/138321259.db2.gz OOCZZINJQOZPOQ-ZDUSSCGKSA-N 2 1 343.456 1.944 20 0 EDADMP CC[N@H+](CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C(C)C ZINC000124992955 138331301 /nfs/dbraw/zinc/33/13/01/138331301.db2.gz SOFHOKCHRAIRRF-UHFFFAOYSA-N 2 1 342.528 1.717 20 0 EDADMP CC[N@@H+](CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C(C)C ZINC000124992955 138331302 /nfs/dbraw/zinc/33/13/02/138331302.db2.gz SOFHOKCHRAIRRF-UHFFFAOYSA-N 2 1 342.528 1.717 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](O)CC12CCC2)c1ccccc1 ZINC000563855770 306350047 /nfs/dbraw/zinc/35/00/47/306350047.db2.gz AOEVVMZSCLNXPC-ZWKOTPCHSA-N 2 1 345.487 1.785 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000353245808 283319383 /nfs/dbraw/zinc/31/93/83/283319383.db2.gz UXPVVOSWQQCQSW-ZJPYXAASSA-N 2 1 337.508 1.759 20 0 EDADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1C ZINC000563958391 306353528 /nfs/dbraw/zinc/35/35/28/306353528.db2.gz SAFZDXROKSUPPY-MSOLQXFVSA-N 2 1 336.476 1.398 20 0 EDADMP C[C@H]1[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCC12CCOCC2 ZINC000497223044 291179471 /nfs/dbraw/zinc/17/94/71/291179471.db2.gz RTYBIEKIMAGMBD-DNVCBOLYSA-N 2 1 349.475 1.752 20 0 EDADMP C[NH+]1CCN(C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c2ccccc2)CC1 ZINC000564793837 306364907 /nfs/dbraw/zinc/36/49/07/306364907.db2.gz NSHQHQOOMMTXCD-HOTGVXAUSA-N 2 1 345.409 1.878 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[N@H+]1C1CC1 ZINC000177048937 237370552 /nfs/dbraw/zinc/37/05/52/237370552.db2.gz KDWAVJVCMXWFAR-GOEBONIOSA-N 2 1 343.475 1.188 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000564837924 306366335 /nfs/dbraw/zinc/36/63/35/306366335.db2.gz SEXSGXYRODXWOR-ILZDJORESA-N 2 1 327.472 1.860 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000564937525 306370314 /nfs/dbraw/zinc/37/03/14/306370314.db2.gz NEQIXTHTTQOABP-QGZVFWFLSA-N 2 1 334.464 1.222 20 0 EDADMP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000564949357 306371114 /nfs/dbraw/zinc/37/11/14/306371114.db2.gz HYNBUTOLHRPMCV-WMZOPIPTSA-N 2 1 330.476 1.881 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413987663 304093122 /nfs/dbraw/zinc/09/31/22/304093122.db2.gz YBLCYMLAPWLXAB-WMZOPIPTSA-N 2 1 345.487 1.327 20 0 EDADMP O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000131028925 223198033 /nfs/dbraw/zinc/19/80/33/223198033.db2.gz TWHXJKXSXQLBGA-LJQANCHMSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000131028925 223198036 /nfs/dbraw/zinc/19/80/36/223198036.db2.gz TWHXJKXSXQLBGA-LJQANCHMSA-N 2 1 343.471 1.630 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000130897912 223186465 /nfs/dbraw/zinc/18/64/65/223186465.db2.gz FYTSRKCXZBPEQO-KRWDZBQOSA-N 2 1 333.476 1.591 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000130897912 223186467 /nfs/dbraw/zinc/18/64/67/223186467.db2.gz FYTSRKCXZBPEQO-KRWDZBQOSA-N 2 1 333.476 1.591 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841302 306393368 /nfs/dbraw/zinc/39/33/68/306393368.db2.gz RGOLRZRLZJSARU-HOTGVXAUSA-N 2 1 334.464 1.353 20 0 EDADMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841302 306393369 /nfs/dbraw/zinc/39/33/69/306393369.db2.gz RGOLRZRLZJSARU-HOTGVXAUSA-N 2 1 334.464 1.353 20 0 EDADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841302 306393370 /nfs/dbraw/zinc/39/33/70/306393370.db2.gz RGOLRZRLZJSARU-HOTGVXAUSA-N 2 1 334.464 1.353 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC000414557197 304121987 /nfs/dbraw/zinc/12/19/87/304121987.db2.gz LJXJBKICLNUJKS-QUCCMNQESA-N 2 1 347.503 1.394 20 0 EDADMP C[C@]1(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CC[NH2+]C1 ZINC000430712358 291361066 /nfs/dbraw/zinc/36/10/66/291361066.db2.gz ZAGKMSBTQSINBJ-SFHVURJKSA-N 2 1 337.508 1.916 20 0 EDADMP CC(C)C[C@H]([NH3+])CN1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000414694630 304128213 /nfs/dbraw/zinc/12/82/13/304128213.db2.gz NGBFLZYHNURSCA-ROUUACIJSA-N 2 1 326.529 1.087 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000414741416 304135547 /nfs/dbraw/zinc/13/55/47/304135547.db2.gz KXJSAUIQACIJGI-GJZGRUSLSA-N 2 1 346.475 1.581 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000414849387 304147692 /nfs/dbraw/zinc/14/76/92/304147692.db2.gz XJJNYFFZHNVOAN-UHFFFAOYSA-N 2 1 349.475 1.961 20 0 EDADMP O[C@H](CNc1cccc(CC[NH+]2CCCC2)c1)C[NH+]1CCOCC1 ZINC000566792527 306428768 /nfs/dbraw/zinc/42/87/68/306428768.db2.gz BZOMXKCHNUCCIP-LJQANCHMSA-N 2 1 333.476 1.430 20 0 EDADMP COc1cc2c(cc1C[N@@H+]1CCC[C@@H](n3cc(C[NH3+])nn3)C1)OCO2 ZINC000415130695 304162518 /nfs/dbraw/zinc/16/25/18/304162518.db2.gz RKHQOSQYPYZDDS-CQSZACIVSA-N 2 1 345.403 1.311 20 0 EDADMP COc1cc2c(cc1C[N@H+]1CCC[C@@H](n3cc(C[NH3+])nn3)C1)OCO2 ZINC000415130695 304162520 /nfs/dbraw/zinc/16/25/20/304162520.db2.gz RKHQOSQYPYZDDS-CQSZACIVSA-N 2 1 345.403 1.311 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000415137096 304162906 /nfs/dbraw/zinc/16/29/06/304162906.db2.gz DVGMERROUFWEDX-XJKSGUPXSA-N 2 1 330.432 1.040 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000236731890 139029812 /nfs/dbraw/zinc/02/98/12/139029812.db2.gz LCBWRPVVFKVUTJ-JKSUJKDBSA-N 2 1 333.480 1.082 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000236960177 139036656 /nfs/dbraw/zinc/03/66/56/139036656.db2.gz NWCRBCCSZJHQOG-SFHVURJKSA-N 2 1 330.476 1.050 20 0 EDADMP C[NH2+]CCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000237072290 139039799 /nfs/dbraw/zinc/03/97/99/139039799.db2.gz REXYCSYUXGOSSP-OAHLLOKOSA-N 2 1 329.366 1.777 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000237190970 139043391 /nfs/dbraw/zinc/04/33/91/139043391.db2.gz PCPQJCQCABPGDZ-GOSISDBHSA-N 2 1 346.519 1.556 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237162891 139042786 /nfs/dbraw/zinc/04/27/86/139042786.db2.gz GLHLKOHPTVJEAR-BZSNNMDCSA-N 2 1 336.524 1.297 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000415188589 304173004 /nfs/dbraw/zinc/17/30/04/304173004.db2.gz BGJUBDMEUYLXFY-MRXNPFEDSA-N 2 1 346.475 1.581 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCCCCC[NH3+] ZINC000237673573 139057762 /nfs/dbraw/zinc/05/77/62/139057762.db2.gz GTVXTQWJWCKTFJ-QGZVFWFLSA-N 2 1 347.507 1.618 20 0 EDADMP O=C(NC1C[NH2+]C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000237793364 139060439 /nfs/dbraw/zinc/06/04/39/139060439.db2.gz GEECYTLKDYQNOZ-OAHLLOKOSA-N 2 1 327.350 1.529 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000237719099 139058475 /nfs/dbraw/zinc/05/84/75/139058475.db2.gz PNBVDTZWGJWTHU-CQSZACIVSA-N 2 1 336.505 1.779 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000111791033 220189699 /nfs/dbraw/zinc/18/96/99/220189699.db2.gz IUOCYHZRINLSRB-OAHLLOKOSA-N 2 1 340.512 1.706 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000111838665 220203158 /nfs/dbraw/zinc/20/31/58/220203158.db2.gz LLQVTIAPDQYSDA-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000111838665 220203162 /nfs/dbraw/zinc/20/31/62/220203162.db2.gz LLQVTIAPDQYSDA-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000415257280 304180165 /nfs/dbraw/zinc/18/01/65/304180165.db2.gz PYHFKJIOBIHTRC-AWEZNQCLSA-N 2 1 344.459 1.287 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000415297336 304188219 /nfs/dbraw/zinc/18/82/19/304188219.db2.gz NOGHLSYVLCOYEL-INIZCTEOSA-N 2 1 332.448 1.286 20 0 EDADMP CN1CCO[C@@H](CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000246558800 139112945 /nfs/dbraw/zinc/11/29/45/139112945.db2.gz YYAMBTNYSSTKJV-ROUUACIJSA-N 2 1 346.475 1.281 20 0 EDADMP Cc1csc2nc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc(=O)n12 ZINC000246743603 139119874 /nfs/dbraw/zinc/11/98/74/139119874.db2.gz GVUCWYHDRVWHHB-DZGCQCFKSA-N 2 1 332.473 1.981 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000246948248 139128145 /nfs/dbraw/zinc/12/81/45/139128145.db2.gz HZSJOVOPQPMCMB-LZWOXQAQSA-N 2 1 336.432 1.475 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000247114036 139136194 /nfs/dbraw/zinc/13/61/94/139136194.db2.gz FDKHLXUHWBBMSL-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000247114036 139136195 /nfs/dbraw/zinc/13/61/95/139136195.db2.gz FDKHLXUHWBBMSL-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000247114036 139136196 /nfs/dbraw/zinc/13/61/96/139136196.db2.gz FDKHLXUHWBBMSL-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP Cc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1Br ZINC000091472020 218011170 /nfs/dbraw/zinc/01/11/70/218011170.db2.gz YBWZHWPLQBKNDQ-UHFFFAOYSA-N 2 1 340.265 1.621 20 0 EDADMP Cc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1Br ZINC000091472020 218011172 /nfs/dbraw/zinc/01/11/72/218011172.db2.gz YBWZHWPLQBKNDQ-UHFFFAOYSA-N 2 1 340.265 1.621 20 0 EDADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)CN3CCOCC3)C2)CC1 ZINC000250279612 139200753 /nfs/dbraw/zinc/20/07/53/139200753.db2.gz CGKJXPHUZPIQPJ-MOPGFXCFSA-N 2 1 339.524 1.123 20 0 EDADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)CC1 ZINC000250279612 139200754 /nfs/dbraw/zinc/20/07/54/139200754.db2.gz CGKJXPHUZPIQPJ-MOPGFXCFSA-N 2 1 339.524 1.123 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261609962 139210670 /nfs/dbraw/zinc/21/06/70/139210670.db2.gz BVKWMJNYTHOEOV-SCLBCKFNSA-N 2 1 335.448 1.379 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261609962 139210671 /nfs/dbraw/zinc/21/06/71/139210671.db2.gz BVKWMJNYTHOEOV-SCLBCKFNSA-N 2 1 335.448 1.379 20 0 EDADMP CN(CC(=O)N1CCNCC1)Cc1cc(Cl)ccc1OC(F)F ZINC000261682072 139217149 /nfs/dbraw/zinc/21/71/49/139217149.db2.gz IIIFZJQYADHMCM-UHFFFAOYSA-N 2 1 347.793 1.805 20 0 EDADMP COc1cc(OC)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(OC)c1 ZINC000261669117 139215940 /nfs/dbraw/zinc/21/59/40/139215940.db2.gz LKSGHCJRUJAOLU-CQSZACIVSA-N 2 1 335.448 1.192 20 0 EDADMP C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@H+]1Cc1ccccc1 ZINC000261673963 139216321 /nfs/dbraw/zinc/21/63/21/139216321.db2.gz GLJXXOZTOBTUGT-HPBDAGMYSA-N 2 1 331.460 1.662 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@H+]1Cc1ccccc1 ZINC000261673965 139216390 /nfs/dbraw/zinc/21/63/90/139216390.db2.gz GLJXXOZTOBTUGT-OWLYRPNTSA-N 2 1 331.460 1.662 20 0 EDADMP CC(C)N(C(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000261692157 139217974 /nfs/dbraw/zinc/21/79/74/139217974.db2.gz NSMFNGOSEJBHPX-GOSISDBHSA-N 2 1 330.476 1.408 20 0 EDADMP CC(C)N(C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000261692157 139217975 /nfs/dbraw/zinc/21/79/75/139217975.db2.gz NSMFNGOSEJBHPX-GOSISDBHSA-N 2 1 330.476 1.408 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCc2nnnn2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000261861263 139232069 /nfs/dbraw/zinc/23/20/69/139232069.db2.gz WLMLYZJFOHXNLK-MJGOQNOKSA-N 2 1 348.454 1.879 20 0 EDADMP C(Cc1nnc2n1CCCCC2)[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261845131 139230965 /nfs/dbraw/zinc/23/09/65/139230965.db2.gz AQLKSUJIBCTNAI-OAGGEKHMSA-N 2 1 333.480 1.294 20 0 EDADMP CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)no1 ZINC000261930659 139237999 /nfs/dbraw/zinc/23/79/99/139237999.db2.gz LNLFMJSOEWCMIZ-LSDHHAIUSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)no1 ZINC000261930659 139238000 /nfs/dbraw/zinc/23/80/00/139238000.db2.gz LNLFMJSOEWCMIZ-LSDHHAIUSA-N 2 1 335.452 1.054 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C2([NH3+])CCOCC2)cc1F ZINC000261937781 139238456 /nfs/dbraw/zinc/23/84/56/139238456.db2.gz WYJGEXVWSKNDCD-UHFFFAOYSA-N 2 1 332.379 1.444 20 0 EDADMP CN(C)c1ncc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])s1 ZINC000262039496 139245892 /nfs/dbraw/zinc/24/58/92/139245892.db2.gz OYOPMHAQIUWKPL-LBPRGKRZSA-N 2 1 325.482 1.029 20 0 EDADMP CN(C)c1ncc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])s1 ZINC000262039496 139245893 /nfs/dbraw/zinc/24/58/93/139245893.db2.gz OYOPMHAQIUWKPL-LBPRGKRZSA-N 2 1 325.482 1.029 20 0 EDADMP CC1(C)C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000262044087 139246321 /nfs/dbraw/zinc/24/63/21/139246321.db2.gz HUXJYOZKSCNZJJ-UHFFFAOYSA-N 2 1 344.503 1.405 20 0 EDADMP CC1(C)CN(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000262044087 139246322 /nfs/dbraw/zinc/24/63/22/139246322.db2.gz HUXJYOZKSCNZJJ-UHFFFAOYSA-N 2 1 344.503 1.405 20 0 EDADMP CC1(C)CN(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000262044087 139246323 /nfs/dbraw/zinc/24/63/23/139246323.db2.gz HUXJYOZKSCNZJJ-UHFFFAOYSA-N 2 1 344.503 1.405 20 0 EDADMP Oc1ccc(Br)c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262129407 139253384 /nfs/dbraw/zinc/25/33/84/139253384.db2.gz NQNWLGSOUOFURY-ZDUSSCGKSA-N 2 1 340.265 1.634 20 0 EDADMP Oc1ccc(Br)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262129407 139253385 /nfs/dbraw/zinc/25/33/85/139253385.db2.gz NQNWLGSOUOFURY-ZDUSSCGKSA-N 2 1 340.265 1.634 20 0 EDADMP CSc1cc(Br)ccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262181105 139257957 /nfs/dbraw/zinc/25/79/57/139257957.db2.gz WQCIGYGJUPVMFU-JQWIXIFHSA-N 2 1 331.279 1.841 20 0 EDADMP CCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000262177920 139257635 /nfs/dbraw/zinc/25/76/35/139257635.db2.gz QUHNZNSCLGAVGW-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)NCC2([NH3+])CCC2)c1)C1CC1 ZINC000415558189 251010995 /nfs/dbraw/zinc/01/09/95/251010995.db2.gz JGRDSABZNZPAER-UHFFFAOYSA-N 2 1 344.459 1.259 20 0 EDADMP C[C@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CCCC[NH2+]1 ZINC000262270810 139265289 /nfs/dbraw/zinc/26/52/89/139265289.db2.gz UODFVIBKBPDPPN-VQIMIIECSA-N 2 1 344.459 1.607 20 0 EDADMP C[C@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CCCC[NH2+]1 ZINC000262270810 139265290 /nfs/dbraw/zinc/26/52/90/139265290.db2.gz UODFVIBKBPDPPN-VQIMIIECSA-N 2 1 344.459 1.607 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N[C@H](C)CC[NH3+])cc2)CC1 ZINC000416992245 251120793 /nfs/dbraw/zinc/12/07/93/251120793.db2.gz PDMXZIZAEFBOLN-MRXNPFEDSA-N 2 1 347.507 1.361 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000417014322 251132777 /nfs/dbraw/zinc/13/27/77/251132777.db2.gz DDAKFKQOAYYUQM-XHSDSOJGSA-N 2 1 326.485 1.114 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@@H]([NH3+])C3CC3)c2)CCO1 ZINC000417270610 251152461 /nfs/dbraw/zinc/15/24/61/251152461.db2.gz OKFABINQECCXEV-RDTXWAMCSA-N 2 1 346.475 1.444 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@@H]([NH3+])C3CC3)c2)CCO1 ZINC000417270610 251152464 /nfs/dbraw/zinc/15/24/64/251152464.db2.gz OKFABINQECCXEV-RDTXWAMCSA-N 2 1 346.475 1.444 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417024630 251138424 /nfs/dbraw/zinc/13/84/24/251138424.db2.gz MHXHDOLKFJYEQL-KDURUIRLSA-N 2 1 342.487 1.971 20 0 EDADMP COCC1(CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC[NH2+]CC1 ZINC000417554868 251187228 /nfs/dbraw/zinc/18/72/28/251187228.db2.gz XDZIUIQSMWQOSE-INIZCTEOSA-N 2 1 340.512 1.422 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000417557312 251187476 /nfs/dbraw/zinc/18/74/76/251187476.db2.gz RGIZOXVJRWJHCL-SJLPKXTDSA-N 2 1 340.512 1.709 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000417666488 251218668 /nfs/dbraw/zinc/21/86/68/251218668.db2.gz CXSHVESZJKBTPR-BZUAXINKSA-N 2 1 326.485 1.256 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)[C@H](C)C1 ZINC000417670865 251222095 /nfs/dbraw/zinc/22/20/95/251222095.db2.gz OYGNMNFCRYVZMC-FZKCQIBNSA-N 2 1 326.485 1.112 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417756121 251257954 /nfs/dbraw/zinc/25/79/54/251257954.db2.gz RSRIXUZLJGWJKH-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C[NH3+])C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000417749739 251253540 /nfs/dbraw/zinc/25/35/40/251253540.db2.gz JNKHWWXMTOEFSA-NVXWUHKLSA-N 2 1 339.528 1.077 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H](C[NH3+])CC(C)C)CC2)nc(C)[nH+]1 ZINC000417828826 251287809 /nfs/dbraw/zinc/28/78/09/251287809.db2.gz HVEILAXVRLAILI-MRXNPFEDSA-N 2 1 348.495 1.735 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417792423 251272697 /nfs/dbraw/zinc/27/26/97/251272697.db2.gz KCLBLICHIJRQJR-KGLIPLIRSA-N 2 1 330.423 1.547 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000418076813 251321731 /nfs/dbraw/zinc/32/17/31/251321731.db2.gz KEPOPRSHOGOYRF-IAGOWNOFSA-N 2 1 348.516 1.607 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000418076813 251321735 /nfs/dbraw/zinc/32/17/35/251321735.db2.gz KEPOPRSHOGOYRF-IAGOWNOFSA-N 2 1 348.516 1.607 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418110074 251324398 /nfs/dbraw/zinc/32/43/98/251324398.db2.gz VUJRFBSDADKAQI-ZWKOTPCHSA-N 2 1 330.476 1.759 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418707409 251389454 /nfs/dbraw/zinc/38/94/54/251389454.db2.gz IGINDWMGBYQVJT-UKRRQHHQSA-N 2 1 340.418 1.885 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418707409 251389459 /nfs/dbraw/zinc/38/94/59/251389459.db2.gz IGINDWMGBYQVJT-UKRRQHHQSA-N 2 1 340.418 1.885 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@@H]1C ZINC000418685683 251385871 /nfs/dbraw/zinc/38/58/71/251385871.db2.gz NHUXUTVUWUOXRQ-CIRFHOKZSA-N 2 1 330.476 1.866 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000418707283 251389320 /nfs/dbraw/zinc/38/93/20/251389320.db2.gz GGDYBSUOCLGJOS-IRXDYDNUSA-N 2 1 333.480 1.815 20 0 EDADMP COCC[NH2+]CC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262684271 139296252 /nfs/dbraw/zinc/29/62/52/139296252.db2.gz ZSPFFJABGPXWPT-UHFFFAOYSA-N 2 1 341.496 1.152 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)cs1 ZINC000262766245 139302119 /nfs/dbraw/zinc/30/21/19/139302119.db2.gz ATUWSQUZTYYMES-IUODEOHRSA-N 2 1 336.505 1.920 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000262809935 139305354 /nfs/dbraw/zinc/30/53/54/139305354.db2.gz UCCWGFRTVRENCI-FBVQUNGASA-N 2 1 331.460 1.662 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000262887341 139310609 /nfs/dbraw/zinc/31/06/09/139310609.db2.gz ZRVFUPGICGBLDP-CVEARBPZSA-N 2 1 333.480 1.515 20 0 EDADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000422874752 252007667 /nfs/dbraw/zinc/00/76/67/252007667.db2.gz AZZZYZWDGDYYHH-QXAKKESOSA-N 2 1 346.519 1.477 20 0 EDADMP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422891248 252013755 /nfs/dbraw/zinc/01/37/55/252013755.db2.gz UXPUTQDUXCKNJR-MAUKXSAKSA-N 3 1 332.492 1.601 20 0 EDADMP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422891247 252014016 /nfs/dbraw/zinc/01/40/16/252014016.db2.gz UXPUTQDUXCKNJR-CRAIPNDOSA-N 3 1 332.492 1.601 20 0 EDADMP Cn1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000423352272 252050990 /nfs/dbraw/zinc/05/09/90/252050990.db2.gz AFFQJVGDRNVJBB-CABCVRRESA-N 2 1 331.464 1.197 20 0 EDADMP Cn1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000423352272 252050996 /nfs/dbraw/zinc/05/09/96/252050996.db2.gz AFFQJVGDRNVJBB-CABCVRRESA-N 2 1 331.464 1.197 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCOC1C[NH2+]C1 ZINC000423775146 252068859 /nfs/dbraw/zinc/06/88/59/252068859.db2.gz LYTGCHCWFDHHRD-MRXNPFEDSA-N 2 1 331.460 1.488 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000423995834 252111013 /nfs/dbraw/zinc/11/10/13/252111013.db2.gz JUSLJALSGATQLZ-HYVNUMGLSA-N 2 1 325.497 1.567 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000423785853 252073245 /nfs/dbraw/zinc/07/32/45/252073245.db2.gz AJQNKPGQHWUORB-KRWDZBQOSA-N 2 1 333.476 1.373 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424156776 252147857 /nfs/dbraw/zinc/14/78/57/252147857.db2.gz OUBYUZKLJWIORM-CVEARBPZSA-N 2 1 348.495 1.587 20 0 EDADMP CN(C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000424154773 252148068 /nfs/dbraw/zinc/14/80/68/252148068.db2.gz LXLRPAWBRGQDSF-ZFWWWQNUSA-N 2 1 331.464 1.196 20 0 EDADMP C[N@@H+](CCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C1CCCCC1 ZINC000424126065 252131417 /nfs/dbraw/zinc/13/14/17/252131417.db2.gz BCZZUPBIEKZMML-INIZCTEOSA-N 2 1 348.495 1.587 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000111843321 285024437 /nfs/dbraw/zinc/02/44/37/285024437.db2.gz WOKGLBHEWRMREQ-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccnn1C ZINC000263657763 139350437 /nfs/dbraw/zinc/35/04/37/139350437.db2.gz CIIVBFKVMPSDKO-KBOKABMXSA-N 2 1 333.480 1.308 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000486987342 255022138 /nfs/dbraw/zinc/02/21/38/255022138.db2.gz MNZZUZXMOXONIH-VNQPRFMTSA-N 2 1 331.464 1.358 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)C1 ZINC000488881728 255058231 /nfs/dbraw/zinc/05/82/31/255058231.db2.gz OBMHSULMWWNFNM-SFHVURJKSA-N 2 1 337.508 1.964 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)C1 ZINC000488881728 255058233 /nfs/dbraw/zinc/05/82/33/255058233.db2.gz OBMHSULMWWNFNM-SFHVURJKSA-N 2 1 337.508 1.964 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)[C@@H](C)COC ZINC000360157694 285245889 /nfs/dbraw/zinc/24/58/89/285245889.db2.gz VUBCHIOWSZNABM-YESZJQIVSA-N 2 1 327.513 1.780 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000266879141 285252176 /nfs/dbraw/zinc/25/21/76/285252176.db2.gz ZVNPWMGXVDDHOG-MSOLQXFVSA-N 2 1 346.475 1.225 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000266879141 285252177 /nfs/dbraw/zinc/25/21/77/285252177.db2.gz ZVNPWMGXVDDHOG-MSOLQXFVSA-N 2 1 346.475 1.225 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000266879141 285252178 /nfs/dbraw/zinc/25/21/78/285252178.db2.gz ZVNPWMGXVDDHOG-MSOLQXFVSA-N 2 1 346.475 1.225 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000266879141 285252179 /nfs/dbraw/zinc/25/21/79/285252179.db2.gz ZVNPWMGXVDDHOG-MSOLQXFVSA-N 2 1 346.475 1.225 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000494078348 255235078 /nfs/dbraw/zinc/23/50/78/255235078.db2.gz LUPUAFHWXUODFR-UHFFFAOYSA-N 2 1 329.485 1.944 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000494702050 255258710 /nfs/dbraw/zinc/25/87/10/255258710.db2.gz HAUYQMFGHPZOCS-ZBFHGGJFSA-N 2 1 334.464 1.226 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496175140 255361312 /nfs/dbraw/zinc/36/13/12/255361312.db2.gz YDINAYWMITULFP-OAGGEKHMSA-N 2 1 343.512 1.782 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496175140 255361313 /nfs/dbraw/zinc/36/13/13/255361313.db2.gz YDINAYWMITULFP-OAGGEKHMSA-N 2 1 343.512 1.782 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496175140 255361314 /nfs/dbraw/zinc/36/13/14/255361314.db2.gz YDINAYWMITULFP-OAGGEKHMSA-N 2 1 343.512 1.782 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496175140 255361315 /nfs/dbraw/zinc/36/13/15/255361315.db2.gz YDINAYWMITULFP-OAGGEKHMSA-N 2 1 343.512 1.782 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCN(C(=O)OC)CC1 ZINC000496305725 255378333 /nfs/dbraw/zinc/37/83/33/255378333.db2.gz ITYCOSMLPJPJRP-AWEZNQCLSA-N 2 1 325.457 1.063 20 0 EDADMP CCOC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000496242791 255369467 /nfs/dbraw/zinc/36/94/67/255369467.db2.gz HCVAOXAHBSRPJV-CZUORRHYSA-N 2 1 327.469 1.288 20 0 EDADMP CCOC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000496242791 255369468 /nfs/dbraw/zinc/36/94/68/255369468.db2.gz HCVAOXAHBSRPJV-CZUORRHYSA-N 2 1 327.469 1.288 20 0 EDADMP Cc1noc(C)c1CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000119356590 221302267 /nfs/dbraw/zinc/30/22/67/221302267.db2.gz URBDGVXEQDDTIL-UHFFFAOYSA-N 2 1 348.491 1.710 20 0 EDADMP C[N@H+](CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C1CC1 ZINC000264211252 139387112 /nfs/dbraw/zinc/38/71/12/139387112.db2.gz HXFGRVCVDVAQMM-SFHVURJKSA-N 2 1 330.476 1.186 20 0 EDADMP C[N@@H+](CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C1CC1 ZINC000264211252 139387113 /nfs/dbraw/zinc/38/71/13/139387113.db2.gz HXFGRVCVDVAQMM-SFHVURJKSA-N 2 1 330.476 1.186 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000369928327 285362060 /nfs/dbraw/zinc/36/20/60/285362060.db2.gz QDDAJTBPPMQEIL-DZKIICNBSA-N 2 1 337.489 1.578 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000369928327 285362063 /nfs/dbraw/zinc/36/20/63/285362063.db2.gz QDDAJTBPPMQEIL-DZKIICNBSA-N 2 1 337.489 1.578 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000369928327 285362066 /nfs/dbraw/zinc/36/20/66/285362066.db2.gz QDDAJTBPPMQEIL-DZKIICNBSA-N 2 1 337.489 1.578 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000369928327 285362068 /nfs/dbraw/zinc/36/20/68/285362068.db2.gz QDDAJTBPPMQEIL-DZKIICNBSA-N 2 1 337.489 1.578 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416142753 304291747 /nfs/dbraw/zinc/29/17/47/304291747.db2.gz HRQRQYSJGKZKSK-SFHVURJKSA-N 2 1 333.476 1.860 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](CC(C)C)OC ZINC000416145011 304292166 /nfs/dbraw/zinc/29/21/66/304292166.db2.gz KFZZIRMUWFXFLB-IAGOWNOFSA-N 2 1 327.513 1.922 20 0 EDADMP CC[N@@H+](CC(C)(C)O)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000270695326 140149665 /nfs/dbraw/zinc/14/96/65/140149665.db2.gz DIMZAWSCQYYNOU-FUHWJXTLSA-N 2 1 347.503 1.858 20 0 EDADMP CC[NH+](CC(C)(C)O)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000270695326 140149666 /nfs/dbraw/zinc/14/96/66/140149666.db2.gz DIMZAWSCQYYNOU-FUHWJXTLSA-N 2 1 347.503 1.858 20 0 EDADMP CC[NH+](CC(C)(C)O)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000270695326 140149667 /nfs/dbraw/zinc/14/96/67/140149667.db2.gz DIMZAWSCQYYNOU-FUHWJXTLSA-N 2 1 347.503 1.858 20 0 EDADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C[N@@H+]1CCO ZINC000416304829 304307779 /nfs/dbraw/zinc/30/77/79/304307779.db2.gz IFMGPXQANKKQAL-CVEARBPZSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C[N@H+]1CCO ZINC000416304829 304307780 /nfs/dbraw/zinc/30/77/80/304307780.db2.gz IFMGPXQANKKQAL-CVEARBPZSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@H](C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)C[NH+]1CCCC1 ZINC000315561649 140655948 /nfs/dbraw/zinc/65/59/48/140655948.db2.gz MNQMRSSLKBYLDE-ZIAGYGMSSA-N 2 1 325.478 1.717 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@H]3CC[N@H+](C)C[C@H]3C)CC2)c1=O ZINC000332407043 141176966 /nfs/dbraw/zinc/17/69/66/141176966.db2.gz YPNSIJVJUJHLLF-ZBFHGGJFSA-N 2 1 333.480 1.162 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)CC2)c1=O ZINC000332407043 141176967 /nfs/dbraw/zinc/17/69/67/141176967.db2.gz YPNSIJVJUJHLLF-ZBFHGGJFSA-N 2 1 333.480 1.162 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000332563680 141203994 /nfs/dbraw/zinc/20/39/94/141203994.db2.gz WJCGCQYSILLIEI-HOTGVXAUSA-N 2 1 331.464 1.739 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n1C ZINC000333242002 141286623 /nfs/dbraw/zinc/28/66/23/141286623.db2.gz IPOZFJKUMOQONN-OAHLLOKOSA-N 2 1 348.495 1.646 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000333442182 141317614 /nfs/dbraw/zinc/31/76/14/141317614.db2.gz WGIFXXYIQRZLOF-RUGDWHBFSA-N 2 1 328.460 1.605 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1CCOC ZINC000333509446 141329034 /nfs/dbraw/zinc/32/90/34/141329034.db2.gz IUZWJIJLAWZXBJ-YLFCFFPRSA-N 2 1 338.496 1.127 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000333641490 141349246 /nfs/dbraw/zinc/34/92/46/141349246.db2.gz UKIAHAPILJSKRA-DLBZAZTESA-N 2 1 343.475 1.741 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000333728941 141367870 /nfs/dbraw/zinc/36/78/70/141367870.db2.gz VTWBTAHBOUCHTJ-CZUORRHYSA-N 2 1 332.448 1.941 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000333802415 141384350 /nfs/dbraw/zinc/38/43/50/141384350.db2.gz IAEJTMLPKSTJGF-HUUCEWRRSA-N 2 1 326.485 1.127 20 0 EDADMP Cc1cc(C)cc(NC(=O)C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000333850290 141394367 /nfs/dbraw/zinc/39/43/67/141394367.db2.gz NINJNVCFSVAAEN-MSOLQXFVSA-N 2 1 343.471 1.942 20 0 EDADMP COC[C@H]1CCN1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000339281651 142003389 /nfs/dbraw/zinc/00/33/89/142003389.db2.gz HXODBWKZACOSPT-SJLPKXTDSA-N 2 1 331.460 1.613 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000339542721 142071603 /nfs/dbraw/zinc/07/16/03/142071603.db2.gz MRTHRPCZZYOMCO-SJORKVTESA-N 2 1 338.496 1.080 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)C(C)C ZINC000339583824 142083872 /nfs/dbraw/zinc/08/38/72/142083872.db2.gz IYFTYNRLAOQDPV-UHFFFAOYSA-N 2 1 340.512 1.214 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC000339860015 142180021 /nfs/dbraw/zinc/18/00/21/142180021.db2.gz RHONEYHMNQIKBH-CQSZACIVSA-N 2 1 343.431 1.572 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn2cc[nH+]c12 ZINC000339865558 142182734 /nfs/dbraw/zinc/18/27/34/142182734.db2.gz MEFCWFKUDZHINZ-HIFRSBDPSA-N 2 1 341.415 1.324 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cn2cc[nH+]c12 ZINC000339865558 142182735 /nfs/dbraw/zinc/18/27/35/142182735.db2.gz MEFCWFKUDZHINZ-HIFRSBDPSA-N 2 1 341.415 1.324 20 0 EDADMP [NH3+][C@H]1CCC[C@H]1CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000340119997 142271980 /nfs/dbraw/zinc/27/19/80/142271980.db2.gz OPGOZKGGVPNUSD-WMZOPIPTSA-N 2 1 345.491 1.227 20 0 EDADMP C[C@@H]([NH3+])CC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000340177692 142293101 /nfs/dbraw/zinc/29/31/01/142293101.db2.gz UAPKSXVHKJHUCS-QGZVFWFLSA-N 2 1 332.492 1.438 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340252308 142320360 /nfs/dbraw/zinc/32/03/60/142320360.db2.gz LOBRXDSNMFLOIY-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000340295491 142333133 /nfs/dbraw/zinc/33/31/33/142333133.db2.gz ONCLXYUXXALSCS-HNNXBMFYSA-N 2 1 340.512 1.214 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1CCCCC1 ZINC000340311972 142338185 /nfs/dbraw/zinc/33/81/85/142338185.db2.gz KQGHHCXULKHKDF-GOSISDBHSA-N 2 1 339.524 1.802 20 0 EDADMP C[C@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000345010408 143038961 /nfs/dbraw/zinc/03/89/61/143038961.db2.gz NZGNKSJOOISXMX-BZUAXINKSA-N 2 1 325.497 1.553 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000345793580 143134213 /nfs/dbraw/zinc/13/42/13/143134213.db2.gz KSTDMAMISVAXGE-UHFFFAOYSA-N 2 1 348.447 1.470 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000345800680 143134961 /nfs/dbraw/zinc/13/49/61/143134961.db2.gz YEBGQLYTVGKEEE-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@@H]1C[C@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000346695514 143232847 /nfs/dbraw/zinc/23/28/47/143232847.db2.gz CTIRJWRSGPAIDO-IMFGXOCKSA-N 2 1 329.488 1.838 20 0 EDADMP C[C@@H]1C[C@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000346695514 143232848 /nfs/dbraw/zinc/23/28/48/143232848.db2.gz CTIRJWRSGPAIDO-IMFGXOCKSA-N 2 1 329.488 1.838 20 0 EDADMP C[C@@H]1C[C@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000346695514 143232849 /nfs/dbraw/zinc/23/28/49/143232849.db2.gz CTIRJWRSGPAIDO-IMFGXOCKSA-N 2 1 329.488 1.838 20 0 EDADMP C(CC[NH+]1CCOCC1)Cc1nc(CC2=[NH+][C@@H]3CCCC[C@H]3N2)no1 ZINC000346935558 143263433 /nfs/dbraw/zinc/26/34/33/143263433.db2.gz KIJFIOJFKQPAKD-HUUCEWRRSA-N 2 1 347.463 1.580 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000347017917 143271956 /nfs/dbraw/zinc/27/19/56/143271956.db2.gz KVWKIURWRDPTNG-LBPRGKRZSA-N 2 1 333.461 1.425 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000347034267 143274365 /nfs/dbraw/zinc/27/43/65/143274365.db2.gz CMQAEXSJBLSWTQ-NZSAHSFTSA-N 2 1 332.492 1.338 20 0 EDADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000347034267 143274366 /nfs/dbraw/zinc/27/43/66/143274366.db2.gz CMQAEXSJBLSWTQ-NZSAHSFTSA-N 2 1 332.492 1.338 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000347048719 143276320 /nfs/dbraw/zinc/27/63/20/143276320.db2.gz QRFVSPQQQINIAI-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000347048719 143276321 /nfs/dbraw/zinc/27/63/21/143276321.db2.gz QRFVSPQQQINIAI-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000347048719 143276322 /nfs/dbraw/zinc/27/63/22/143276322.db2.gz QRFVSPQQQINIAI-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000347207355 143294860 /nfs/dbraw/zinc/29/48/60/143294860.db2.gz MWMVXUVWYMCOTC-QGZVFWFLSA-N 2 1 331.460 1.729 20 0 EDADMP CC[C@H](C)[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000347448316 143322508 /nfs/dbraw/zinc/32/25/08/143322508.db2.gz CHBBCSWEXYWIQR-SFHVURJKSA-N 2 1 347.503 1.732 20 0 EDADMP CC[C@H](C)[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000347448316 143322509 /nfs/dbraw/zinc/32/25/09/143322509.db2.gz CHBBCSWEXYWIQR-SFHVURJKSA-N 2 1 347.503 1.732 20 0 EDADMP CC[C@H](C)[N@H+](CCO)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000347458937 143324035 /nfs/dbraw/zinc/32/40/35/143324035.db2.gz SCXNYCYCLPJSFL-ROUUACIJSA-N 2 1 347.503 1.985 20 0 EDADMP CC[C@H](C)[N@@H+](CCO)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000347458937 143324036 /nfs/dbraw/zinc/32/40/36/143324036.db2.gz SCXNYCYCLPJSFL-ROUUACIJSA-N 2 1 347.503 1.985 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000347673632 143348181 /nfs/dbraw/zinc/34/81/81/143348181.db2.gz OZCXHQRHQFODCE-HNNXBMFYSA-N 2 1 339.505 1.607 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC000348032264 143393821 /nfs/dbraw/zinc/39/38/21/143393821.db2.gz WBRBUWJAGISXJW-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000348032264 143393822 /nfs/dbraw/zinc/39/38/22/143393822.db2.gz WBRBUWJAGISXJW-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000416843003 304351006 /nfs/dbraw/zinc/35/10/06/304351006.db2.gz OFLJBRRCFZBJFZ-OKZBNKHCSA-N 2 1 328.460 1.512 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000352741156 149144718 /nfs/dbraw/zinc/14/47/18/149144718.db2.gz WPJBTJATELESQS-UHFFFAOYSA-N 2 1 330.476 1.916 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000352741156 149144719 /nfs/dbraw/zinc/14/47/19/149144719.db2.gz WPJBTJATELESQS-UHFFFAOYSA-N 2 1 330.476 1.916 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000352789923 149166927 /nfs/dbraw/zinc/16/69/27/149166927.db2.gz GXAKLFDUPZGNCM-SJLPKXTDSA-N 2 1 332.492 1.800 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000416959854 304355281 /nfs/dbraw/zinc/35/52/81/304355281.db2.gz ZLBHXAULCYFTJK-JONQDZQNSA-N 2 1 326.485 1.112 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)NCc1ccc(Cn2ccnc2)cc1 ZINC000353285114 149352045 /nfs/dbraw/zinc/35/20/45/149352045.db2.gz AFHULTJSWHHYKF-UHFFFAOYSA-N 2 1 339.443 1.993 20 0 EDADMP O=C(NCCN1CC=CCC1)NCc1ccc(Cn2ccnc2)cc1 ZINC000353285114 149352049 /nfs/dbraw/zinc/35/20/49/149352049.db2.gz AFHULTJSWHHYKF-UHFFFAOYSA-N 2 1 339.443 1.993 20 0 EDADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000369933039 155240658 /nfs/dbraw/zinc/24/06/58/155240658.db2.gz AZCZYINPUBIOIY-SFHVURJKSA-N 2 1 331.460 1.224 20 0 EDADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000369933039 155240659 /nfs/dbraw/zinc/24/06/59/155240659.db2.gz AZCZYINPUBIOIY-SFHVURJKSA-N 2 1 331.460 1.224 20 0 EDADMP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369961875 155255027 /nfs/dbraw/zinc/25/50/27/155255027.db2.gz MEELWKULHCGEBY-LUKYLMHMSA-N 2 1 325.497 1.626 20 0 EDADMP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369961875 155255028 /nfs/dbraw/zinc/25/50/28/155255028.db2.gz MEELWKULHCGEBY-LUKYLMHMSA-N 2 1 325.497 1.626 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)nc3)[C@@H]2C1 ZINC000355366401 150236112 /nfs/dbraw/zinc/23/61/12/150236112.db2.gz NBDITPROHKNTHM-IAGOWNOFSA-N 2 1 332.448 1.078 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H](c3ccccc3)N(C)C)[C@H]2C1 ZINC000355378106 150241382 /nfs/dbraw/zinc/24/13/82/150241382.db2.gz ZVFZMKWMEBYIQW-OKZBNKHCSA-N 2 1 331.460 1.611 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@H]2C1 ZINC000355378106 150241387 /nfs/dbraw/zinc/24/13/87/150241387.db2.gz ZVFZMKWMEBYIQW-OKZBNKHCSA-N 2 1 331.460 1.611 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[NH+]2CCC1CC2)CCC(F)(F)F ZINC000355495624 150292234 /nfs/dbraw/zinc/29/22/34/150292234.db2.gz AJTAGUGJMJAERL-UHFFFAOYSA-N 2 1 336.402 1.750 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417030990 304363004 /nfs/dbraw/zinc/36/30/04/304363004.db2.gz PXPYWTDNWOEZLA-MAUKXSAKSA-N 2 1 330.476 1.861 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417034572 304363592 /nfs/dbraw/zinc/36/35/92/304363592.db2.gz GCFJZVOCZFVHBT-IAGOWNOFSA-N 2 1 339.528 1.173 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000417040482 304365099 /nfs/dbraw/zinc/36/50/99/304365099.db2.gz XWHJXJIYCDMRQL-HZPDHXFCSA-N 2 1 348.491 1.710 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)[C@@H](C[NH3+])C1 ZINC000417042654 304365126 /nfs/dbraw/zinc/36/51/26/304365126.db2.gz LUUKIMNNGKEBPI-BRWVUGGUSA-N 2 1 340.512 1.789 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417048337 304366565 /nfs/dbraw/zinc/36/65/65/304366565.db2.gz WOUAMJMMQRSECU-SJLPKXTDSA-N 2 1 347.507 1.480 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417049265 304367020 /nfs/dbraw/zinc/36/70/20/304367020.db2.gz ZGWZRNBXWGFCPH-CRAIPNDOSA-N 2 1 345.491 1.234 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000357673032 151110523 /nfs/dbraw/zinc/11/05/23/151110523.db2.gz KKPKBOGJTLVIRZ-BPQIPLTHSA-N 2 1 347.503 1.905 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CCO)C2)CC1 ZINC000357944595 151205123 /nfs/dbraw/zinc/20/51/23/151205123.db2.gz HYYOTHHFSGCNDU-ROUUACIJSA-N 2 1 345.487 1.596 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CCO)C2)CC1 ZINC000357944595 151205126 /nfs/dbraw/zinc/20/51/26/151205126.db2.gz HYYOTHHFSGCNDU-ROUUACIJSA-N 2 1 345.487 1.596 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000357972944 151216799 /nfs/dbraw/zinc/21/67/99/151216799.db2.gz KQEUFOCOCDBVCF-ZBFHGGJFSA-N 2 1 330.542 1.843 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CCOC)CC1 ZINC000357995695 151227229 /nfs/dbraw/zinc/22/72/29/151227229.db2.gz VKXDELAVSBTRGL-OAHLLOKOSA-N 2 1 328.501 1.517 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000358104460 151272258 /nfs/dbraw/zinc/27/22/58/151272258.db2.gz ZFXUDHNIMSOZRY-OAHLLOKOSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000358104460 151272261 /nfs/dbraw/zinc/27/22/61/151272261.db2.gz ZFXUDHNIMSOZRY-OAHLLOKOSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000358104460 151272265 /nfs/dbraw/zinc/27/22/65/151272265.db2.gz ZFXUDHNIMSOZRY-OAHLLOKOSA-N 2 1 340.512 1.071 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358122680 151279203 /nfs/dbraw/zinc/27/92/03/151279203.db2.gz ZGMYDRREMBAZNR-LZLYRXPVSA-N 2 1 334.508 1.146 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[NH+]2CCN1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358122680 151279204 /nfs/dbraw/zinc/27/92/04/151279204.db2.gz ZGMYDRREMBAZNR-LZLYRXPVSA-N 2 1 334.508 1.146 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[NH+]2CCN1CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358122680 151279206 /nfs/dbraw/zinc/27/92/06/151279206.db2.gz ZGMYDRREMBAZNR-LZLYRXPVSA-N 2 1 334.508 1.146 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000358181253 151297882 /nfs/dbraw/zinc/29/78/82/151297882.db2.gz CMMLWWCMHCQRGX-INIZCTEOSA-N 2 1 326.510 1.375 20 0 EDADMP C[N@H+]1CC[C@](O)(CN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251956 151318354 /nfs/dbraw/zinc/31/83/54/151318354.db2.gz MYBOMMKKEVDCNS-MHTWAQMVSA-N 2 1 343.515 1.943 20 0 EDADMP C[NH+]1CC[C@](O)(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251956 151318356 /nfs/dbraw/zinc/31/83/56/151318356.db2.gz MYBOMMKKEVDCNS-MHTWAQMVSA-N 2 1 343.515 1.943 20 0 EDADMP C[NH+]1CC[C@](O)(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251956 151318358 /nfs/dbraw/zinc/31/83/58/151318358.db2.gz MYBOMMKKEVDCNS-MHTWAQMVSA-N 2 1 343.515 1.943 20 0 EDADMP CN1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251956 151318360 /nfs/dbraw/zinc/31/83/60/151318360.db2.gz MYBOMMKKEVDCNS-MHTWAQMVSA-N 2 1 343.515 1.943 20 0 EDADMP CN1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251956 151318362 /nfs/dbraw/zinc/31/83/62/151318362.db2.gz MYBOMMKKEVDCNS-MHTWAQMVSA-N 2 1 343.515 1.943 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC000358305101 151331467 /nfs/dbraw/zinc/33/14/67/151331467.db2.gz WUVFWTNHOVUSHE-LSDHHAIUSA-N 2 1 342.553 1.938 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000417113658 304373636 /nfs/dbraw/zinc/37/36/36/304373636.db2.gz NSELSVYDIKMJPU-SUMWQHHRSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000417113658 304373637 /nfs/dbraw/zinc/37/36/37/304373637.db2.gz NSELSVYDIKMJPU-SUMWQHHRSA-N 2 1 336.505 1.875 20 0 EDADMP CC[NH2+]CCNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000417120163 304374810 /nfs/dbraw/zinc/37/48/10/304374810.db2.gz YQDBSAZSHWLQJG-HZPDHXFCSA-N 2 1 348.491 1.705 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000360327884 151996889 /nfs/dbraw/zinc/99/68/89/151996889.db2.gz CLKMDZOITSUYRC-PBHICJAKSA-N 2 1 344.459 1.475 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000360327884 151996891 /nfs/dbraw/zinc/99/68/91/151996891.db2.gz CLKMDZOITSUYRC-PBHICJAKSA-N 2 1 344.459 1.475 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360665313 152144096 /nfs/dbraw/zinc/14/40/96/152144096.db2.gz VTOPETRYYXOWEV-NVXWUHKLSA-N 2 1 342.553 1.987 20 0 EDADMP [NH3+][C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000417158334 304378917 /nfs/dbraw/zinc/37/89/17/304378917.db2.gz BGPWGPRIASLTHU-CYBMUJFWSA-N 2 1 338.402 1.672 20 0 EDADMP C[C@H]1CN(Cc2noc(C(C)(C)C)n2)CC[N@H+]1C1CCN(C)CC1 ZINC000363669791 153025527 /nfs/dbraw/zinc/02/55/27/153025527.db2.gz IJBYPQAFEVYYPH-AWEZNQCLSA-N 2 1 335.496 1.967 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000363863377 153078934 /nfs/dbraw/zinc/07/89/34/153078934.db2.gz UGJLQEIYZAFAKI-DNVCBOLYSA-N 2 1 342.487 1.893 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@]2([NH+](C)C)CCOc3ccccc32)C1 ZINC000363959719 153107537 /nfs/dbraw/zinc/10/75/37/153107537.db2.gz FNKRBKBBSLCNRD-KXBFYZLASA-N 2 1 331.460 1.779 20 0 EDADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000417237163 304386965 /nfs/dbraw/zinc/38/69/65/304386965.db2.gz IIOKENQMXCDBKL-RHSMWYFYSA-N 2 1 328.476 1.840 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000417237163 304386967 /nfs/dbraw/zinc/38/69/67/304386967.db2.gz IIOKENQMXCDBKL-RHSMWYFYSA-N 2 1 328.476 1.840 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC000417280870 304389228 /nfs/dbraw/zinc/38/92/28/304389228.db2.gz QBOHHSJNYCYHMX-CQSZACIVSA-N 2 1 331.395 1.823 20 0 EDADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)nc1 ZINC000367545771 154169041 /nfs/dbraw/zinc/16/90/41/154169041.db2.gz YNNQOFGSRPUNSI-GOSISDBHSA-N 2 1 346.475 1.469 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)nc1 ZINC000367545771 154169043 /nfs/dbraw/zinc/16/90/43/154169043.db2.gz YNNQOFGSRPUNSI-GOSISDBHSA-N 2 1 346.475 1.469 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCC[C@@H]21 ZINC000367619233 154201888 /nfs/dbraw/zinc/20/18/88/154201888.db2.gz VGUCAVSKMMFXLB-ULQDDVLXSA-N 2 1 337.489 1.339 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000367984091 154354550 /nfs/dbraw/zinc/35/45/50/154354550.db2.gz TWTSMGJLIYCDKI-PVAVHDDUSA-N 2 1 347.459 1.294 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369402328 155015148 /nfs/dbraw/zinc/01/51/48/155015148.db2.gz QDGGNIMNIDHORA-KRWDZBQOSA-N 2 1 348.495 1.003 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369402328 155015150 /nfs/dbraw/zinc/01/51/50/155015150.db2.gz QDGGNIMNIDHORA-KRWDZBQOSA-N 2 1 348.495 1.003 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000369659602 155122940 /nfs/dbraw/zinc/12/29/40/155122940.db2.gz VMDLMVNBVNRTLH-KRWDZBQOSA-N 2 1 342.487 1.894 20 0 EDADMP O=C(CCC1CCCCC1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000574811756 306657432 /nfs/dbraw/zinc/65/74/32/306657432.db2.gz SGPNAKYEPPKZOZ-UHFFFAOYSA-N 2 1 336.524 1.396 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)C1=CC[NH+](C)CC1 ZINC000371574873 156010900 /nfs/dbraw/zinc/01/09/00/156010900.db2.gz NEGWWZXVYYQWMN-USXIJHARSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)C1=CC[NH+](C)CC1 ZINC000371574873 156010905 /nfs/dbraw/zinc/01/09/05/156010905.db2.gz NEGWWZXVYYQWMN-USXIJHARSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1)C1=CC[N@H+](C)CC1 ZINC000371574873 156010907 /nfs/dbraw/zinc/01/09/07/156010907.db2.gz NEGWWZXVYYQWMN-USXIJHARSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1)C1=CC[N@@H+](C)CC1 ZINC000371574873 156010911 /nfs/dbraw/zinc/01/09/11/156010911.db2.gz NEGWWZXVYYQWMN-USXIJHARSA-N 2 1 336.480 1.189 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000371829452 156127591 /nfs/dbraw/zinc/12/75/91/156127591.db2.gz AXCBMEYYYPNWHL-SFHVURJKSA-N 2 1 347.507 1.925 20 0 EDADMP C[N@@H+](CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)Cc1ccccc1 ZINC000372313294 156327838 /nfs/dbraw/zinc/32/78/38/156327838.db2.gz KOKQZFUEQHCIMR-SFHVURJKSA-N 2 1 330.476 1.015 20 0 EDADMP C[NH+](CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)Cc1ccccc1 ZINC000372313294 156327840 /nfs/dbraw/zinc/32/78/40/156327840.db2.gz KOKQZFUEQHCIMR-SFHVURJKSA-N 2 1 330.476 1.015 20 0 EDADMP C[NH+](CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)Cc1ccccc1 ZINC000372313294 156327844 /nfs/dbraw/zinc/32/78/44/156327844.db2.gz KOKQZFUEQHCIMR-SFHVURJKSA-N 2 1 330.476 1.015 20 0 EDADMP C[C@H](O)COC(=O)CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373860782 157037175 /nfs/dbraw/zinc/03/71/75/157037175.db2.gz VFNOLFKATNUROB-HRCADAONSA-N 2 1 342.480 1.122 20 0 EDADMP COc1cc(C[N@H+]2CCCN(Cc3nccn3C)CC2)ccc1O ZINC000374241740 157210945 /nfs/dbraw/zinc/21/09/45/157210945.db2.gz PEZJYLSZSOPXSE-UHFFFAOYSA-N 2 1 330.432 1.842 20 0 EDADMP COc1cc(CN2CCCN(Cc3nccn3C)CC2)ccc1O ZINC000374241740 157210947 /nfs/dbraw/zinc/21/09/47/157210947.db2.gz PEZJYLSZSOPXSE-UHFFFAOYSA-N 2 1 330.432 1.842 20 0 EDADMP COCCN1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000374380435 157267745 /nfs/dbraw/zinc/26/77/45/157267745.db2.gz LEMDUIXLXCXMGK-KRWDZBQOSA-N 2 1 332.448 1.147 20 0 EDADMP COCCN1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000374380435 157267748 /nfs/dbraw/zinc/26/77/48/157267748.db2.gz LEMDUIXLXCXMGK-KRWDZBQOSA-N 2 1 332.448 1.147 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000374383604 157270068 /nfs/dbraw/zinc/27/00/68/157270068.db2.gz GLHNEPXFKYKFTA-SFHVURJKSA-N 2 1 328.460 1.910 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000374383604 157270071 /nfs/dbraw/zinc/27/00/71/157270071.db2.gz GLHNEPXFKYKFTA-SFHVURJKSA-N 2 1 328.460 1.910 20 0 EDADMP C[N@H+](C[C@H](O)Cn1cccn1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374748924 157386953 /nfs/dbraw/zinc/38/69/53/157386953.db2.gz IYZMNTQXWAKFOI-IBGZPJMESA-N 2 1 343.475 1.278 20 0 EDADMP C[N@@H+](C[C@H](O)Cn1cccn1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374748924 157386957 /nfs/dbraw/zinc/38/69/57/157386957.db2.gz IYZMNTQXWAKFOI-IBGZPJMESA-N 2 1 343.475 1.278 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377905540 158025762 /nfs/dbraw/zinc/02/57/62/158025762.db2.gz SSSDHKVCFZCGRI-QGZVFWFLSA-N 2 1 329.460 1.114 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377905540 158025765 /nfs/dbraw/zinc/02/57/65/158025765.db2.gz SSSDHKVCFZCGRI-QGZVFWFLSA-N 2 1 329.460 1.114 20 0 EDADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378309831 158135565 /nfs/dbraw/zinc/13/55/65/158135565.db2.gz BXUPDVFQPUUJFK-PKOBYXMFSA-N 2 1 344.503 1.973 20 0 EDADMP C[N@@H+]1CCN(CC[NH2+]CN2CCC(=O)CC2)[C@H](c2ccccc2)C1 ZINC000378640715 158224794 /nfs/dbraw/zinc/22/47/94/158224794.db2.gz WJWQNCQLPRXECG-IBGZPJMESA-N 2 1 330.476 1.187 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]CN2CCC(=O)CC2)[C@H](c2ccccc2)C1 ZINC000378640715 158224796 /nfs/dbraw/zinc/22/47/96/158224796.db2.gz WJWQNCQLPRXECG-IBGZPJMESA-N 2 1 330.476 1.187 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000352214463 162054644 /nfs/dbraw/zinc/05/46/44/162054644.db2.gz PVMQZEIRDHMOPP-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000352496653 162212746 /nfs/dbraw/zinc/21/27/46/162212746.db2.gz XYYFFZFSSYOKPH-PKOBYXMFSA-N 2 1 344.503 1.832 20 0 EDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000352496653 162212750 /nfs/dbraw/zinc/21/27/50/162212750.db2.gz XYYFFZFSSYOKPH-PKOBYXMFSA-N 2 1 344.503 1.832 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCC[NH+](C2CCCCC2)C1 ZINC000364228048 162322180 /nfs/dbraw/zinc/32/21/80/162322180.db2.gz RFXKCGVIZRYACW-MRXNPFEDSA-N 2 1 340.512 1.397 20 0 EDADMP CCc1oc(C(=O)OC)cc1CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000364228742 162322401 /nfs/dbraw/zinc/32/24/01/162322401.db2.gz FFALTTNKGCAKKR-MRXNPFEDSA-N 2 1 349.475 1.840 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000073034660 287258519 /nfs/dbraw/zinc/25/85/19/287258519.db2.gz JMQDRQMIEPRIFU-XHSDSOJGSA-N 2 1 325.497 1.580 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000073034660 287258520 /nfs/dbraw/zinc/25/85/20/287258520.db2.gz JMQDRQMIEPRIFU-XHSDSOJGSA-N 2 1 325.497 1.580 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000073034660 287258521 /nfs/dbraw/zinc/25/85/21/287258521.db2.gz JMQDRQMIEPRIFU-XHSDSOJGSA-N 2 1 325.497 1.580 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000073034660 287258522 /nfs/dbraw/zinc/25/85/22/287258522.db2.gz JMQDRQMIEPRIFU-XHSDSOJGSA-N 2 1 325.497 1.580 20 0 EDADMP C[NH+](C)[C@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000120826690 287364770 /nfs/dbraw/zinc/36/47/70/287364770.db2.gz DXKGOGIRBYKUET-SFHVURJKSA-N 2 1 326.444 1.980 20 0 EDADMP [NH3+]C1CCC(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000418379963 304488513 /nfs/dbraw/zinc/48/85/13/304488513.db2.gz DRSFTPABNGYNCY-UHFFFAOYSA-N 2 1 330.476 1.826 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(-n2cccn2)c1 ZINC000276354041 273162813 /nfs/dbraw/zinc/16/28/13/273162813.db2.gz WZUVMPORMFGTHP-INIZCTEOSA-N 2 1 341.459 1.687 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCCCCO ZINC000278985560 273277233 /nfs/dbraw/zinc/27/72/33/273277233.db2.gz ZSMPXCWEZRYEOI-HKUYNNGSSA-N 2 1 347.503 1.860 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000279495552 273302485 /nfs/dbraw/zinc/30/24/85/273302485.db2.gz SBZZLWQHJHMGTA-GJZGRUSLSA-N 2 1 332.448 1.469 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280686364 273385581 /nfs/dbraw/zinc/38/55/81/273385581.db2.gz ARPGNXMBRWYERQ-QAPCUYQASA-N 2 1 325.416 1.582 20 0 EDADMP C[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)[N@H+]1CCc2ccccc2C1 ZINC000280716920 273389595 /nfs/dbraw/zinc/38/95/95/273389595.db2.gz FDUBNRIGHPCANW-QKYXUNIQSA-N 2 1 327.472 1.939 20 0 EDADMP CC[C@H](C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000125310197 273740574 /nfs/dbraw/zinc/74/05/74/273740574.db2.gz ZXIUCVNCEFUWRQ-FUHWJXTLSA-N 2 1 332.492 1.654 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CCO[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000420248203 276007635 /nfs/dbraw/zinc/00/76/35/276007635.db2.gz VXKRFBKMORGANT-LZWOXQAQSA-N 2 1 335.452 1.256 20 0 EDADMP CCC[C@@H](C(=O)NCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000367088567 276020930 /nfs/dbraw/zinc/02/09/30/276020930.db2.gz BYNZFURYTIRAIW-OALUTQOASA-N 2 1 346.519 1.822 20 0 EDADMP CC[NH2+]CCNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417020116 276265682 /nfs/dbraw/zinc/26/56/82/276265682.db2.gz MAMYUSRXWULEHR-SFHVURJKSA-N 2 1 347.507 1.274 20 0 EDADMP CC[NH2+]CCNC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000417020116 276265683 /nfs/dbraw/zinc/26/56/83/276265683.db2.gz MAMYUSRXWULEHR-SFHVURJKSA-N 2 1 347.507 1.274 20 0 EDADMP CC[NH2+]CCNC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000417020116 276265685 /nfs/dbraw/zinc/26/56/85/276265685.db2.gz MAMYUSRXWULEHR-SFHVURJKSA-N 2 1 347.507 1.274 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000171873642 276362799 /nfs/dbraw/zinc/36/27/99/276362799.db2.gz SNQJKUVKQNMWLX-QGZVFWFLSA-N 2 1 347.507 1.623 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000171873642 276362801 /nfs/dbraw/zinc/36/28/01/276362801.db2.gz SNQJKUVKQNMWLX-QGZVFWFLSA-N 2 1 347.507 1.623 20 0 EDADMP CCN1CCC[N@H+](Cc2ccccc2N2CC[NH+](CC)CC2)CC1=O ZINC000347249195 276388629 /nfs/dbraw/zinc/38/86/29/276388629.db2.gz DCDRGJLLBXWLDI-UHFFFAOYSA-N 2 1 344.503 1.883 20 0 EDADMP CCN1CCC[N@@H+](Cc2ccccc2N2CC[NH+](CC)CC2)CC1=O ZINC000347249195 276388631 /nfs/dbraw/zinc/38/86/31/276388631.db2.gz DCDRGJLLBXWLDI-UHFFFAOYSA-N 2 1 344.503 1.883 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)CC1 ZINC000366327727 276885820 /nfs/dbraw/zinc/88/58/20/276885820.db2.gz SVVOWDUVCRBFJA-QZTJIDSGSA-N 3 1 336.524 1.426 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000262631388 277105095 /nfs/dbraw/zinc/10/50/95/277105095.db2.gz FHIWQGAXWAQRKQ-CEXWTWQISA-N 2 1 344.503 1.609 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000262631388 277105097 /nfs/dbraw/zinc/10/50/97/277105097.db2.gz FHIWQGAXWAQRKQ-CEXWTWQISA-N 2 1 344.503 1.609 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000262631388 277105098 /nfs/dbraw/zinc/10/50/98/277105098.db2.gz FHIWQGAXWAQRKQ-CEXWTWQISA-N 2 1 344.503 1.609 20 0 EDADMP COC1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC[NH2+]CC1 ZINC000246735001 277179523 /nfs/dbraw/zinc/17/95/23/277179523.db2.gz YPICGSHEVXLCOC-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000349904116 277222840 /nfs/dbraw/zinc/22/28/40/277222840.db2.gz PDWDLNLSOXEGHG-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000360911539 277316542 /nfs/dbraw/zinc/31/65/42/277316542.db2.gz CZRQVWNPFSMPLW-INIZCTEOSA-N 2 1 337.508 1.556 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000360911539 277316544 /nfs/dbraw/zinc/31/65/44/277316544.db2.gz CZRQVWNPFSMPLW-INIZCTEOSA-N 2 1 337.508 1.556 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H](C3CC[NH+](C)CC3)C1)C2 ZINC000355251371 279160883 /nfs/dbraw/zinc/16/08/83/279160883.db2.gz CXPRRKSUKSHCEO-SJORKVTESA-N 2 1 330.476 1.944 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)C1CC1 ZINC000338477602 279198860 /nfs/dbraw/zinc/19/88/60/279198860.db2.gz NCWQVFCKNSYMMI-KRWDZBQOSA-N 2 1 339.528 1.042 20 0 EDADMP CC[N@H+](CCNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CC1 ZINC000338477602 279198863 /nfs/dbraw/zinc/19/88/63/279198863.db2.gz NCWQVFCKNSYMMI-KRWDZBQOSA-N 2 1 339.528 1.042 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CC1 ZINC000338477602 279198865 /nfs/dbraw/zinc/19/88/65/279198865.db2.gz NCWQVFCKNSYMMI-KRWDZBQOSA-N 2 1 339.528 1.042 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000183943009 279209107 /nfs/dbraw/zinc/20/91/07/279209107.db2.gz YJBDSUCNMBBNBQ-GOSISDBHSA-N 2 1 333.476 1.472 20 0 EDADMP CC[NH+](CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000183943009 279209108 /nfs/dbraw/zinc/20/91/08/279209108.db2.gz YJBDSUCNMBBNBQ-GOSISDBHSA-N 2 1 333.476 1.472 20 0 EDADMP CC[NH+](CCO)CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000183943009 279209109 /nfs/dbraw/zinc/20/91/09/279209109.db2.gz YJBDSUCNMBBNBQ-GOSISDBHSA-N 2 1 333.476 1.472 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000249092519 279280713 /nfs/dbraw/zinc/28/07/13/279280713.db2.gz HHMBTYFEHGNDLY-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249092519 279280716 /nfs/dbraw/zinc/28/07/16/279280716.db2.gz HHMBTYFEHGNDLY-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249092519 279280719 /nfs/dbraw/zinc/28/07/19/279280719.db2.gz HHMBTYFEHGNDLY-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000344651926 279354059 /nfs/dbraw/zinc/35/40/59/279354059.db2.gz ZSODQQSLILXURC-UHFFFAOYSA-N 2 1 325.497 1.868 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417750625 279361156 /nfs/dbraw/zinc/36/11/56/279361156.db2.gz NTQBXTGBJKFZLC-MRXNPFEDSA-N 2 1 339.528 1.221 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000418116600 288162590 /nfs/dbraw/zinc/16/25/90/288162590.db2.gz QOQOBYJNRJBYMV-WBVHZDCISA-N 2 1 334.464 1.487 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000342728803 279780784 /nfs/dbraw/zinc/78/07/84/279780784.db2.gz KSIMIWCKALDLIB-ZXXIGWHRSA-N 2 1 337.508 1.706 20 0 EDADMP CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367552961 280010978 /nfs/dbraw/zinc/01/09/78/280010978.db2.gz OSCMFSDPLUOSRI-XHSDSOJGSA-N 2 1 329.510 1.263 20 0 EDADMP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365361466 280123422 /nfs/dbraw/zinc/12/34/22/280123422.db2.gz WWDGTBOSJJMMNM-SZMVWBNQSA-N 2 1 345.512 1.987 20 0 EDADMP O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371109288 280283449 /nfs/dbraw/zinc/28/34/49/280283449.db2.gz VBIUJCTVUZEXAN-JKSUJKDBSA-N 2 1 348.491 1.848 20 0 EDADMP CC[C@H]1CN(C(=O)c2cccn2C2CC[NH2+]CC2)CC[N@H+]1C[C@H](C)O ZINC000372098706 281152425 /nfs/dbraw/zinc/15/24/25/281152425.db2.gz MREKRBZYKSKVJP-HOTGVXAUSA-N 2 1 348.491 1.330 20 0 EDADMP COc1ccc([C@H](O)C2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000291844529 289194834 /nfs/dbraw/zinc/19/48/34/289194834.db2.gz OSGGWUJFTMCHQX-QUCCMNQESA-N 2 1 348.487 1.896 20 0 EDADMP COc1ccc([C@H](O)C2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000291844529 289194835 /nfs/dbraw/zinc/19/48/35/289194835.db2.gz OSGGWUJFTMCHQX-QUCCMNQESA-N 2 1 348.487 1.896 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000292049112 289248251 /nfs/dbraw/zinc/24/82/51/289248251.db2.gz IXRRYLVNCAOKSW-SJLPKXTDSA-N 2 1 333.476 1.911 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000292049112 289248256 /nfs/dbraw/zinc/24/82/56/289248256.db2.gz IXRRYLVNCAOKSW-SJLPKXTDSA-N 2 1 333.476 1.911 20 0 EDADMP CN(CCCNC(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292055602 289250477 /nfs/dbraw/zinc/25/04/77/289250477.db2.gz CATOAQNOPSCRMO-FQEVSTJZSA-N 2 1 344.503 1.657 20 0 EDADMP [NH3+]C1(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)Cc2ccccc2C1 ZINC000370770622 295202354 /nfs/dbraw/zinc/20/23/54/295202354.db2.gz DQMIXTXJAUIBDX-KSZLIROESA-N 2 1 325.456 1.425 20 0 EDADMP C[C@H](C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)[NH+]1CCSCC1 ZINC000344586224 298063957 /nfs/dbraw/zinc/06/39/57/298063957.db2.gz BBWYLOAUIBQAOU-FXUDXRNXSA-N 2 1 341.521 1.134 20 0 EDADMP 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ZINC000293721076 303009177 /nfs/dbraw/zinc/00/91/77/303009177.db2.gz YNXNEYRRNSACDG-QGZVFWFLSA-N 2 1 342.443 1.970 20 0 EDADMP Cc1nocc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000293721076 303009178 /nfs/dbraw/zinc/00/91/78/303009178.db2.gz YNXNEYRRNSACDG-QGZVFWFLSA-N 2 1 342.443 1.970 20 0 EDADMP C[C@@H]1[C@@H](NC[C@H]2C[NH+](C)CCN2C)CCC[N@@H+]1Cc1ccccc1 ZINC000293913573 303037567 /nfs/dbraw/zinc/03/75/67/303037567.db2.gz WYLRQIMIRDWWCV-HOJAQTOUSA-N 2 1 330.520 1.875 20 0 EDADMP C[C@@H]1[C@@H](NC[C@H]2C[NH+](C)CCN2C)CCC[N@H+]1Cc1ccccc1 ZINC000293913573 303037568 /nfs/dbraw/zinc/03/75/68/303037568.db2.gz WYLRQIMIRDWWCV-HOJAQTOUSA-N 2 1 330.520 1.875 20 0 EDADMP C[C@@H]1[C@@H](NC[C@H]2C[N@H+](C)CCN2C)CCC[NH+]1Cc1ccccc1 ZINC000293913573 303037570 /nfs/dbraw/zinc/03/75/70/303037570.db2.gz WYLRQIMIRDWWCV-HOJAQTOUSA-N 2 1 330.520 1.875 20 0 EDADMP C[C@@H]1[C@@H](NC[C@H]2C[N@@H+](C)CCN2C)CCC[NH+]1Cc1ccccc1 ZINC000293913573 303037571 /nfs/dbraw/zinc/03/75/71/303037571.db2.gz WYLRQIMIRDWWCV-HOJAQTOUSA-N 2 1 330.520 1.875 20 0 EDADMP C[C@H](O)CNc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ncn1 ZINC000294256912 303083893 /nfs/dbraw/zinc/08/38/93/303083893.db2.gz FEAYOEFSLNSONR-HOCLYGCPSA-N 2 1 327.432 1.956 20 0 EDADMP C[C@H]([NH2+]CCN1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294737963 303141260 /nfs/dbraw/zinc/14/12/60/303141260.db2.gz CBHPNRPJTOOSKU-PKOBYXMFSA-N 2 1 331.504 1.943 20 0 EDADMP C[C@H](NCC[NH+]1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294737963 303141262 /nfs/dbraw/zinc/14/12/62/303141262.db2.gz CBHPNRPJTOOSKU-PKOBYXMFSA-N 2 1 331.504 1.943 20 0 EDADMP C[C@H](NCC[NH+]1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294737963 303141265 /nfs/dbraw/zinc/14/12/65/303141265.db2.gz CBHPNRPJTOOSKU-PKOBYXMFSA-N 2 1 331.504 1.943 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCSCC2)[C@@H](C)C1 ZINC000448525263 447327169 /nfs/dbraw/zinc/32/71/69/447327169.db2.gz PJZZHEUDLIBFPN-GJZGRUSLSA-N 2 1 328.526 1.407 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCSCC2)[C@@H](C)C1 ZINC000448525263 447327170 /nfs/dbraw/zinc/32/71/70/447327170.db2.gz PJZZHEUDLIBFPN-GJZGRUSLSA-N 2 1 328.526 1.407 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C)[NH2+]C3CC3)C2)cc(OC)c1 ZINC000295727536 303258529 /nfs/dbraw/zinc/25/85/29/303258529.db2.gz NYDAPEUHHTYSQU-XJKSGUPXSA-N 2 1 347.459 1.535 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H](C)[NH2+]C3CC3)C2)cc(OC)c1 ZINC000295727536 303258530 /nfs/dbraw/zinc/25/85/30/303258530.db2.gz NYDAPEUHHTYSQU-XJKSGUPXSA-N 2 1 347.459 1.535 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000296307792 303308694 /nfs/dbraw/zinc/30/86/94/303308694.db2.gz WFVMPSIYFQDCSA-HNNXBMFYSA-N 2 1 346.475 1.629 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000296349991 303312541 /nfs/dbraw/zinc/31/25/41/303312541.db2.gz IYUSYXPCTVIMOA-KRWDZBQOSA-N 2 1 346.519 1.828 20 0 EDADMP NC(=O)c1c[nH+]ccc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000302238510 303719938 /nfs/dbraw/zinc/71/99/38/303719938.db2.gz WSLGZSDICSFKCB-UHFFFAOYSA-N 2 1 339.443 1.805 20 0 EDADMP O=C(NCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000343267306 303768751 /nfs/dbraw/zinc/76/87/51/303768751.db2.gz IKOLJUFJCJSTJQ-RCCFBDPRSA-N 2 1 349.450 1.692 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000390549804 303849552 /nfs/dbraw/zinc/84/95/52/303849552.db2.gz JQQSPLRGAPFUJZ-VQTJNVASSA-N 2 1 330.520 1.911 20 0 EDADMP CCOc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000414888164 447345163 /nfs/dbraw/zinc/34/51/63/447345163.db2.gz JVTKQGWGTLDQDL-CJNGLKHVSA-N 2 1 349.475 1.768 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C12CCOCC2 ZINC000423048580 304884087 /nfs/dbraw/zinc/88/40/87/304884087.db2.gz ISDOROLTLZAZJK-HSFUPAIVSA-N 2 1 338.492 1.707 20 0 EDADMP O=S(=O)(NCC[NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000423107243 304886405 /nfs/dbraw/zinc/88/64/05/304886405.db2.gz DXYKKOZSDPCOPX-UHFFFAOYSA-N 2 1 335.832 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CC[NH+]1CCC(NC(=O)CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000429023145 305023034 /nfs/dbraw/zinc/02/30/34/305023034.db2.gz VBHVFWCRDPRQFF-JFIYKMOQSA-N 2 1 336.524 1.249 20 0 EDADMP C[C@](CN)([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000430586477 305057214 /nfs/dbraw/zinc/05/72/14/305057214.db2.gz YPDWEZGMYSLGIQ-HXUWFJFHSA-N 2 1 344.503 1.616 20 0 EDADMP O=C([C@H]1CCC[N@H+](CCCOCC(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000430599802 305057867 /nfs/dbraw/zinc/05/78/67/305057867.db2.gz BCYBZMPQZCMSJF-ZDUSSCGKSA-N 2 1 337.386 1.099 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C[NH2+]CC2CC2)C1 ZINC000430878529 305066800 /nfs/dbraw/zinc/06/68/00/305066800.db2.gz JESRRUKRDYAKEN-MRXNPFEDSA-N 2 1 344.459 1.322 20 0 EDADMP C[C@H]1C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1[NH3+] ZINC000430942635 305069757 /nfs/dbraw/zinc/06/97/57/305069757.db2.gz MOAINXRKOHCPOO-YJBOKZPZSA-N 2 1 348.466 1.534 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433127765 305101174 /nfs/dbraw/zinc/10/11/74/305101174.db2.gz UIFMTGWVLLIPHA-BBWFWOEESA-N 3 1 338.540 1.672 20 0 EDADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433127765 305101175 /nfs/dbraw/zinc/10/11/75/305101175.db2.gz UIFMTGWVLLIPHA-BBWFWOEESA-N 2 1 338.540 1.672 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433127765 305101176 /nfs/dbraw/zinc/10/11/76/305101176.db2.gz UIFMTGWVLLIPHA-BBWFWOEESA-N 2 1 338.540 1.672 20 0 EDADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@@H](C[NH3+])C(C)C)CC2 ZINC000433158425 305101841 /nfs/dbraw/zinc/10/18/41/305101841.db2.gz JRNDEHKKRGJMIM-INIZCTEOSA-N 2 1 349.475 1.409 20 0 EDADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@@H](C[NH3+])C(C)C)CC2 ZINC000433158425 305101842 /nfs/dbraw/zinc/10/18/42/305101842.db2.gz JRNDEHKKRGJMIM-INIZCTEOSA-N 2 1 349.475 1.409 20 0 EDADMP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433157324 305101850 /nfs/dbraw/zinc/10/18/50/305101850.db2.gz FOBBSHFRRKIWPV-IRXDYDNUSA-N 2 1 338.540 1.674 20 0 EDADMP CC[N@@H+](CCNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1)C(C)C ZINC000433326813 305105962 /nfs/dbraw/zinc/10/59/62/305105962.db2.gz PLEFJSMIGSYPTD-INIZCTEOSA-N 2 1 328.501 1.517 20 0 EDADMP CC[NH+](CCNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C(C)C ZINC000433326813 305105963 /nfs/dbraw/zinc/10/59/63/305105963.db2.gz PLEFJSMIGSYPTD-INIZCTEOSA-N 2 1 328.501 1.517 20 0 EDADMP CC[NH+](CCNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C(C)C ZINC000433326813 305105964 /nfs/dbraw/zinc/10/59/64/305105964.db2.gz PLEFJSMIGSYPTD-INIZCTEOSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N(C)C[C@H]2CCC[NH+](C)C2)CCCO1 ZINC000433472221 305110522 /nfs/dbraw/zinc/11/05/22/305110522.db2.gz VAUPTAHWEMLPQV-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC000433472221 305110523 /nfs/dbraw/zinc/11/05/23/305110523.db2.gz VAUPTAHWEMLPQV-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000433472221 305110524 /nfs/dbraw/zinc/11/05/24/305110524.db2.gz VAUPTAHWEMLPQV-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000433963863 305116097 /nfs/dbraw/zinc/11/60/97/305116097.db2.gz COTAOPBTPXZLEQ-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000433963863 305116098 /nfs/dbraw/zinc/11/60/98/305116098.db2.gz COTAOPBTPXZLEQ-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434522044 305123998 /nfs/dbraw/zinc/12/39/98/305123998.db2.gz FHXSBHWHIMQMJN-ROUUACIJSA-N 2 1 337.508 1.913 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000435378388 305139395 /nfs/dbraw/zinc/13/93/95/305139395.db2.gz DOMHZVFOIRLEOS-UKRRQHHQSA-N 2 1 335.448 1.379 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000435378388 305139396 /nfs/dbraw/zinc/13/93/96/305139396.db2.gz DOMHZVFOIRLEOS-UKRRQHHQSA-N 2 1 335.448 1.379 20 0 EDADMP NC(=O)NC(=O)CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435692788 305145513 /nfs/dbraw/zinc/14/55/13/305145513.db2.gz KEDHZDUFJXRSLW-ZDUSSCGKSA-N 2 1 336.461 1.277 20 0 EDADMP CCCCNC(=O)CC[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435696540 305145603 /nfs/dbraw/zinc/14/56/03/305145603.db2.gz QFZIIYUEMTUFBE-INIZCTEOSA-N 2 1 347.507 1.671 20 0 EDADMP CCCCNC(=O)CC[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435696540 305145604 /nfs/dbraw/zinc/14/56/04/305145604.db2.gz QFZIIYUEMTUFBE-INIZCTEOSA-N 2 1 347.507 1.671 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436241956 305154926 /nfs/dbraw/zinc/15/49/26/305154926.db2.gz UFNXCRJPUWYUNB-CYBMUJFWSA-N 2 1 332.423 1.984 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440481855 305207623 /nfs/dbraw/zinc/20/76/23/305207623.db2.gz BOQTXXAOVCSUMS-SFHVURJKSA-N 2 1 336.480 1.977 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440481855 305207624 /nfs/dbraw/zinc/20/76/24/305207624.db2.gz BOQTXXAOVCSUMS-SFHVURJKSA-N 2 1 336.480 1.977 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1(C)C ZINC000444265454 305244955 /nfs/dbraw/zinc/24/49/55/305244955.db2.gz FONQNUXQRHLIET-FRQCXROJSA-N 2 1 337.508 1.709 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000444348190 305246361 /nfs/dbraw/zinc/24/63/61/305246361.db2.gz BBIKDZYIWLKCRJ-WCVJEAGWSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000444378303 305247727 /nfs/dbraw/zinc/24/77/27/305247727.db2.gz HJVBSJSGMCJLMQ-OAHLLOKOSA-N 2 1 333.476 1.665 20 0 EDADMP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)(N2CCOCC2)C1 ZINC000447566117 305282237 /nfs/dbraw/zinc/28/22/37/305282237.db2.gz QMBBUWYOMQZPSI-PBHCIXSXSA-N 2 1 325.497 1.186 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000448260700 305294759 /nfs/dbraw/zinc/29/47/59/305294759.db2.gz MWZLOTDYCHCXOZ-OAHLLOKOSA-N 2 1 340.512 1.205 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccncc2F)cc[nH+]1 ZINC000449263728 305310239 /nfs/dbraw/zinc/31/02/39/305310239.db2.gz JFJULIOERBMZRG-KBPBESRZSA-N 2 1 348.401 1.783 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000449345034 305312101 /nfs/dbraw/zinc/31/21/01/305312101.db2.gz UAYSHMGCOLVNSG-CRAIPNDOSA-N 2 1 349.475 1.115 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@H]1C ZINC000449348624 305312252 /nfs/dbraw/zinc/31/22/52/305312252.db2.gz MJQAJSHALYIGPK-APWZRJJASA-N 2 1 331.460 1.097 20 0 EDADMP COCC[N@H+]1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@H]1C ZINC000449348624 305312253 /nfs/dbraw/zinc/31/22/53/305312253.db2.gz MJQAJSHALYIGPK-APWZRJJASA-N 2 1 331.460 1.097 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C[C@H]1C ZINC000449348627 305312401 /nfs/dbraw/zinc/31/24/01/305312401.db2.gz MJQAJSHALYIGPK-VQIMIIECSA-N 2 1 331.460 1.097 20 0 EDADMP COCC[N@H+]1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C[C@H]1C ZINC000449348627 305312402 /nfs/dbraw/zinc/31/24/02/305312402.db2.gz MJQAJSHALYIGPK-VQIMIIECSA-N 2 1 331.460 1.097 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000451335373 305339674 /nfs/dbraw/zinc/33/96/74/305339674.db2.gz DDKYWOTXTDUVOJ-MLHJIOFPSA-N 2 1 337.508 1.555 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000451335373 305339675 /nfs/dbraw/zinc/33/96/75/305339675.db2.gz DDKYWOTXTDUVOJ-MLHJIOFPSA-N 2 1 337.508 1.555 20 0 EDADMP CCO[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451544280 305352212 /nfs/dbraw/zinc/35/22/12/305352212.db2.gz PVUCLJCHJNSLBV-BSHDOZJQSA-N 2 1 342.524 1.841 20 0 EDADMP CCO[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451544280 305352213 /nfs/dbraw/zinc/35/22/13/305352213.db2.gz PVUCLJCHJNSLBV-BSHDOZJQSA-N 2 1 342.524 1.841 20 0 EDADMP CCO[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451544280 305352214 /nfs/dbraw/zinc/35/22/14/305352214.db2.gz PVUCLJCHJNSLBV-BSHDOZJQSA-N 2 1 342.524 1.841 20 0 EDADMP CCO[C@@H]1CC[NH+](C[C@@H](O)C[N@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451544280 305352215 /nfs/dbraw/zinc/35/22/15/305352215.db2.gz PVUCLJCHJNSLBV-BSHDOZJQSA-N 2 1 342.524 1.841 20 0 EDADMP C[C@@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000541896827 306049334 /nfs/dbraw/zinc/04/93/34/306049334.db2.gz HWANZTRJWSHBIW-UZLBHIALSA-N 2 1 343.471 1.390 20 0 EDADMP C[C@@H](NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000541896827 306049335 /nfs/dbraw/zinc/04/93/35/306049335.db2.gz HWANZTRJWSHBIW-UZLBHIALSA-N 2 1 343.471 1.390 20 0 EDADMP C[C@@H](NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000541896827 306049336 /nfs/dbraw/zinc/04/93/36/306049336.db2.gz HWANZTRJWSHBIW-UZLBHIALSA-N 2 1 343.471 1.390 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000543278973 306061996 /nfs/dbraw/zinc/06/19/96/306061996.db2.gz KEELEPFYCRHQEO-QFBILLFUSA-N 2 1 345.487 1.642 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000543278973 306061997 /nfs/dbraw/zinc/06/19/97/306061997.db2.gz KEELEPFYCRHQEO-QFBILLFUSA-N 2 1 345.487 1.642 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cs1 ZINC000377811223 447367666 /nfs/dbraw/zinc/36/76/66/447367666.db2.gz KJMIRPQSKYGCHK-JKSUJKDBSA-N 2 1 348.516 1.731 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000548825938 306139130 /nfs/dbraw/zinc/13/91/30/306139130.db2.gz LOEKIHQXQLSUEQ-INIZCTEOSA-N 2 1 331.460 1.477 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000548825938 306139131 /nfs/dbraw/zinc/13/91/31/306139131.db2.gz LOEKIHQXQLSUEQ-INIZCTEOSA-N 2 1 331.460 1.477 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ncoc3C)CC2)CC1 ZINC000553545559 306186412 /nfs/dbraw/zinc/18/64/12/306186412.db2.gz DHTBJBZBHQJVNC-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)NC1CC[NH+](C2CCC2)CC1 ZINC000556768056 306217019 /nfs/dbraw/zinc/21/70/19/306217019.db2.gz KQOARZJDWTVBQR-KRWDZBQOSA-N 2 1 338.496 1.149 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000556952373 306221867 /nfs/dbraw/zinc/22/18/67/306221867.db2.gz OPHMNMQANCSCCQ-WMZOPIPTSA-N 2 1 346.475 1.810 20 0 EDADMP CN(CCC[NH3+])C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000557133905 306224612 /nfs/dbraw/zinc/22/46/12/306224612.db2.gz FBZNCWQMYDKQQT-UHFFFAOYSA-N 2 1 347.507 1.185 20 0 EDADMP CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C(C)C ZINC000458496182 447388676 /nfs/dbraw/zinc/38/86/76/447388676.db2.gz JKUVCHDNGSXXOZ-KRWDZBQOSA-N 2 1 342.528 1.641 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000422184150 447392592 /nfs/dbraw/zinc/39/25/92/447392592.db2.gz XSCYFLVYLJSDMW-ZWKOTPCHSA-N 2 1 332.492 1.895 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)CC1 ZINC000422196390 447399993 /nfs/dbraw/zinc/39/99/93/447399993.db2.gz DOSIUAPPHIZHIT-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)CC1 ZINC000422196390 447399997 /nfs/dbraw/zinc/39/99/97/447399997.db2.gz DOSIUAPPHIZHIT-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000458568445 447415951 /nfs/dbraw/zinc/41/59/51/447415951.db2.gz JKRNDLNFELHUKN-JCYILVPMSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000458594254 447425385 /nfs/dbraw/zinc/42/53/85/447425385.db2.gz ZYIFNILNBNVFLV-JCYILVPMSA-N 2 1 340.512 1.253 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cn2cc[nH+]c12 ZINC000415426507 447428157 /nfs/dbraw/zinc/42/81/57/447428157.db2.gz AHYUXYJLLPIBHY-OLZOCXBDSA-N 2 1 329.404 1.167 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(Br)cc1F ZINC000071148974 441141445 /nfs/dbraw/zinc/14/14/45/441141445.db2.gz SUQCHEYHGQWFJH-UHFFFAOYSA-N 2 1 330.245 1.925 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(Br)cc1F ZINC000071148974 441141447 /nfs/dbraw/zinc/14/14/47/441141447.db2.gz SUQCHEYHGQWFJH-UHFFFAOYSA-N 2 1 330.245 1.925 20 0 EDADMP CCC(CC)[N@@H+](CCOC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000102950310 441173177 /nfs/dbraw/zinc/17/31/77/441173177.db2.gz FIYYICDLDWVHLK-UHFFFAOYSA-N 2 1 325.497 1.866 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC000080658462 441187614 /nfs/dbraw/zinc/18/76/14/441187614.db2.gz MPTRITVBGDRISK-AEFFLSMTSA-N 2 1 336.524 1.345 20 0 EDADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080658462 441187615 /nfs/dbraw/zinc/18/76/15/441187615.db2.gz MPTRITVBGDRISK-AEFFLSMTSA-N 2 1 336.524 1.345 20 0 EDADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080658462 441187616 /nfs/dbraw/zinc/18/76/16/441187616.db2.gz MPTRITVBGDRISK-AEFFLSMTSA-N 2 1 336.524 1.345 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080658462 441187618 /nfs/dbraw/zinc/18/76/18/441187618.db2.gz MPTRITVBGDRISK-AEFFLSMTSA-N 2 1 336.524 1.345 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080658462 441187620 /nfs/dbraw/zinc/18/76/20/441187620.db2.gz MPTRITVBGDRISK-AEFFLSMTSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)[NH+](CCNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000106516322 441347762 /nfs/dbraw/zinc/34/77/62/441347762.db2.gz DVAWVJDJPRAZSW-INIZCTEOSA-N 2 1 327.517 1.040 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)NCCC[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000065467309 441440524 /nfs/dbraw/zinc/44/05/24/441440524.db2.gz ITAZTKXPHXJWLR-GOSISDBHSA-N 2 1 348.491 1.619 20 0 EDADMP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)NCC3CCC3)CC2)C[C@H](C)O1 ZINC000066497967 441538841 /nfs/dbraw/zinc/53/88/41/441538841.db2.gz GVWOETMBCQPBLN-HOTGVXAUSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000075860920 441560800 /nfs/dbraw/zinc/56/08/00/441560800.db2.gz XBIFPGOOLWGABV-OAHLLOKOSA-N 2 1 336.480 1.657 20 0 EDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000075860920 441560803 /nfs/dbraw/zinc/56/08/03/441560803.db2.gz XBIFPGOOLWGABV-OAHLLOKOSA-N 2 1 336.480 1.657 20 0 EDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000075860920 441560805 /nfs/dbraw/zinc/56/08/05/441560805.db2.gz XBIFPGOOLWGABV-OAHLLOKOSA-N 2 1 336.480 1.657 20 0 EDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000075860920 441560808 /nfs/dbraw/zinc/56/08/08/441560808.db2.gz XBIFPGOOLWGABV-OAHLLOKOSA-N 2 1 336.480 1.657 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090121608 441621509 /nfs/dbraw/zinc/62/15/09/441621509.db2.gz XBHHUVSRGXLCAL-YJBOKZPZSA-N 3 1 332.492 1.408 20 0 EDADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090121608 441621512 /nfs/dbraw/zinc/62/15/12/441621512.db2.gz XBHHUVSRGXLCAL-YJBOKZPZSA-N 2 1 332.492 1.408 20 0 EDADMP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000113934809 441628261 /nfs/dbraw/zinc/62/82/61/441628261.db2.gz UEEJZHTYKWGSTI-JKSUJKDBSA-N 2 1 331.526 1.512 20 0 EDADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000113934809 441628264 /nfs/dbraw/zinc/62/82/64/441628264.db2.gz UEEJZHTYKWGSTI-JKSUJKDBSA-N 2 1 331.526 1.512 20 0 EDADMP CNS(=O)(=O)CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113934809 441628266 /nfs/dbraw/zinc/62/82/66/441628266.db2.gz UEEJZHTYKWGSTI-JKSUJKDBSA-N 2 1 331.526 1.512 20 0 EDADMP CNS(=O)(=O)CCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113934809 441628269 /nfs/dbraw/zinc/62/82/69/441628269.db2.gz UEEJZHTYKWGSTI-JKSUJKDBSA-N 2 1 331.526 1.512 20 0 EDADMP CO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000076345084 441634001 /nfs/dbraw/zinc/63/40/01/441634001.db2.gz SCDZFFFCDYIFGB-WDSOQIARSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000076345084 441634007 /nfs/dbraw/zinc/63/40/07/441634007.db2.gz SCDZFFFCDYIFGB-WDSOQIARSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@H]1CCC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000076345084 441634008 /nfs/dbraw/zinc/63/40/08/441634008.db2.gz SCDZFFFCDYIFGB-WDSOQIARSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@H]1CCC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000076345084 441634012 /nfs/dbraw/zinc/63/40/12/441634012.db2.gz SCDZFFFCDYIFGB-WDSOQIARSA-N 2 1 345.487 1.876 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000136923929 441732437 /nfs/dbraw/zinc/73/24/37/441732437.db2.gz WKBAHBCHNSASRQ-VQIMIIECSA-N 2 1 345.487 1.906 20 0 EDADMP C[C@@H]1C[C@H](N(C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000158802758 441764850 /nfs/dbraw/zinc/76/48/50/441764850.db2.gz FDQVKIMJIBGHIY-QRQLOZEOSA-N 2 1 346.519 1.820 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)Cc1ccccc1 ZINC000158944888 441775079 /nfs/dbraw/zinc/77/50/79/441775079.db2.gz AYMBDRFTLAHWJQ-IAGOWNOFSA-N 2 1 335.517 1.713 20 0 EDADMP C[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)CN1CC[NH+](C)CC1 ZINC000173528668 441780958 /nfs/dbraw/zinc/78/09/58/441780958.db2.gz SJONEWREYHVZND-KRWDZBQOSA-N 2 1 339.528 1.045 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000121833588 441791460 /nfs/dbraw/zinc/79/14/60/441791460.db2.gz FXTUQMNWIQBRSD-JQHSSLGASA-N 2 1 331.460 1.616 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000121833588 441791463 /nfs/dbraw/zinc/79/14/63/441791463.db2.gz FXTUQMNWIQBRSD-JQHSSLGASA-N 2 1 331.460 1.616 20 0 EDADMP COCC[NH+]1CCC(N[C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000173644810 441813263 /nfs/dbraw/zinc/81/32/63/441813263.db2.gz CVKWBBNJLWPCNO-INIZCTEOSA-N 2 1 333.476 1.700 20 0 EDADMP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000092740535 441824850 /nfs/dbraw/zinc/82/48/50/441824850.db2.gz AWLNTFUHNNNMRD-BEFAXECRSA-N 2 1 333.476 1.473 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000173833670 441848598 /nfs/dbraw/zinc/84/85/98/441848598.db2.gz VWMJGVDXZRRLDY-GOSISDBHSA-N 2 1 330.476 1.828 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000173833670 441848602 /nfs/dbraw/zinc/84/86/02/441848602.db2.gz VWMJGVDXZRRLDY-GOSISDBHSA-N 2 1 330.476 1.828 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000173833670 441848607 /nfs/dbraw/zinc/84/86/07/441848607.db2.gz VWMJGVDXZRRLDY-GOSISDBHSA-N 2 1 330.476 1.828 20 0 EDADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000077838492 441876003 /nfs/dbraw/zinc/87/60/03/441876003.db2.gz FKYSZZOMBJUNAP-MRXNPFEDSA-N 3 1 339.528 1.138 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@](C)(O)C1 ZINC000124460105 441929293 /nfs/dbraw/zinc/92/92/93/441929293.db2.gz QZGIRONEBFKKCO-IMFGXOCKSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@](C)(O)C1 ZINC000124460105 441929300 /nfs/dbraw/zinc/92/93/00/441929300.db2.gz QZGIRONEBFKKCO-IMFGXOCKSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@](C)(O)C1 ZINC000124460105 441929303 /nfs/dbraw/zinc/92/93/03/441929303.db2.gz QZGIRONEBFKKCO-IMFGXOCKSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000174485812 441929722 /nfs/dbraw/zinc/92/97/22/441929722.db2.gz NNRXMPIYAOKTAS-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000125165691 441991824 /nfs/dbraw/zinc/99/18/24/441991824.db2.gz URPINRXUQVVGIB-MRXNPFEDSA-N 2 1 342.528 1.717 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000125165691 441991827 /nfs/dbraw/zinc/99/18/27/441991827.db2.gz URPINRXUQVVGIB-MRXNPFEDSA-N 2 1 342.528 1.717 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000079100432 442018868 /nfs/dbraw/zinc/01/88/68/442018868.db2.gz BVIQMYRXYHTZBK-QGZVFWFLSA-N 2 1 342.528 1.572 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000079167436 442027133 /nfs/dbraw/zinc/02/71/33/442027133.db2.gz FVHQTIXPNWHAKE-UHFFFAOYSA-N 2 1 341.544 1.242 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1 ZINC000079199224 442029595 /nfs/dbraw/zinc/02/95/95/442029595.db2.gz CZOXJKBEINCUNF-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000120636646 442109821 /nfs/dbraw/zinc/10/98/21/442109821.db2.gz DXWVWKKAYGARMN-WMLDXEAASA-N 2 1 346.475 1.628 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@H](C)C1 ZINC000151823127 442125567 /nfs/dbraw/zinc/12/55/67/442125567.db2.gz GDIDMVGFOLQLML-MJGOQNOKSA-N 3 1 341.540 1.417 20 0 EDADMP CCOCCCN1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@H](C)C1 ZINC000151823127 442125569 /nfs/dbraw/zinc/12/55/69/442125569.db2.gz GDIDMVGFOLQLML-MJGOQNOKSA-N 2 1 341.540 1.417 20 0 EDADMP Cc1nc(CN2CCC[N@H+](CCCCn3cc[nH+]c3C)CC2)no1 ZINC000163164972 442148133 /nfs/dbraw/zinc/14/81/33/442148133.db2.gz NZIAMNZYAWSQOU-UHFFFAOYSA-N 2 1 332.452 1.871 20 0 EDADMP Cc1nc(CN2CCC[N@@H+](CCCCn3cc[nH+]c3C)CC2)no1 ZINC000163164972 442148137 /nfs/dbraw/zinc/14/81/37/442148137.db2.gz NZIAMNZYAWSQOU-UHFFFAOYSA-N 2 1 332.452 1.871 20 0 EDADMP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000097105295 442169500 /nfs/dbraw/zinc/16/95/00/442169500.db2.gz CUBHQOHQARCWLQ-UHFFFAOYSA-N 2 1 330.476 1.212 20 0 EDADMP C[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)C[NH+]1CCOCC1 ZINC000163326715 442158653 /nfs/dbraw/zinc/15/86/53/442158653.db2.gz XTNPKXLYLWAXML-INIZCTEOSA-N 2 1 340.512 1.566 20 0 EDADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000165528216 442209370 /nfs/dbraw/zinc/20/93/70/442209370.db2.gz GAQRQSGQIKEQCV-KRWDZBQOSA-N 2 1 332.448 1.087 20 0 EDADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000165528216 442209373 /nfs/dbraw/zinc/20/93/73/442209373.db2.gz GAQRQSGQIKEQCV-KRWDZBQOSA-N 2 1 332.448 1.087 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000167232390 442219964 /nfs/dbraw/zinc/21/99/64/442219964.db2.gz KOSNSVMTUWZCRZ-KRWDZBQOSA-N 2 1 335.448 1.012 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000153104709 442262278 /nfs/dbraw/zinc/26/22/78/442262278.db2.gz LCTNXZPDKIFGCQ-CKEIUWERSA-N 2 1 340.489 1.787 20 0 EDADMP C[NH+]1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000153164997 442265105 /nfs/dbraw/zinc/26/51/05/442265105.db2.gz FINCNRAZXPWTEY-MSOLQXFVSA-N 2 1 346.475 1.015 20 0 EDADMP C[N@@H+](CC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[C@@H]1CCSC1 ZINC000153675513 442295273 /nfs/dbraw/zinc/29/52/73/442295273.db2.gz HQKSBAVGYJEKPK-JKSUJKDBSA-N 2 1 325.522 1.901 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000171152083 442320039 /nfs/dbraw/zinc/32/00/39/442320039.db2.gz UTWGKEAOEGSQOJ-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)CCCOC)[C@H](C)C1 ZINC000129642859 442326622 /nfs/dbraw/zinc/32/66/22/442326622.db2.gz PODCVGNMBZEXGP-HZPDHXFCSA-N 2 1 328.501 1.326 20 0 EDADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+](C)CCCOC)[C@H](C)C1 ZINC000129642859 442326624 /nfs/dbraw/zinc/32/66/24/442326624.db2.gz PODCVGNMBZEXGP-HZPDHXFCSA-N 2 1 328.501 1.326 20 0 EDADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+](C)CCCOC)[C@H](C)C1 ZINC000129642859 442326625 /nfs/dbraw/zinc/32/66/25/442326625.db2.gz PODCVGNMBZEXGP-HZPDHXFCSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N1CC[NH+](C)CC1 ZINC000171248779 442333933 /nfs/dbraw/zinc/33/39/33/442333933.db2.gz VJLCNKHCQJZZCD-QGZVFWFLSA-N 2 1 344.503 1.535 20 0 EDADMP CC[N@@H+](C)CCNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000171982912 442395960 /nfs/dbraw/zinc/39/59/60/442395960.db2.gz JEMCDXWNSCTGPD-UHFFFAOYSA-N 2 1 332.492 1.899 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](C)(O)C2)CC1 ZINC000177978680 442399148 /nfs/dbraw/zinc/39/91/48/442399148.db2.gz BWQMRQLXPSEUSA-HXUWFJFHSA-N 2 1 345.487 1.532 20 0 EDADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCCC[NH+]1CCOCC1 ZINC000172040311 442403218 /nfs/dbraw/zinc/40/32/18/442403218.db2.gz ZLDYDJIMEWFDJN-KRWDZBQOSA-N 2 1 325.497 1.870 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CCCC[NH+]1CCOCC1 ZINC000172040311 442403220 /nfs/dbraw/zinc/40/32/20/442403220.db2.gz ZLDYDJIMEWFDJN-KRWDZBQOSA-N 2 1 325.497 1.870 20 0 EDADMP Cc1nccn1CCC[N@H+](C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000130863635 442358329 /nfs/dbraw/zinc/35/83/29/442358329.db2.gz XDDHUOCWPDKGTA-KRWDZBQOSA-N 2 1 342.443 1.633 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000130863635 442358334 /nfs/dbraw/zinc/35/83/34/442358334.db2.gz XDDHUOCWPDKGTA-KRWDZBQOSA-N 2 1 342.443 1.633 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000155666333 442417325 /nfs/dbraw/zinc/41/73/25/442417325.db2.gz LHIVYTGQKHXSBO-SJLPKXTDSA-N 2 1 339.524 1.874 20 0 EDADMP O=C([C@H]1CCC[NH2+]C1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000155681292 442418670 /nfs/dbraw/zinc/41/86/70/442418670.db2.gz MQXPSQVOUGYTPM-ZDUSSCGKSA-N 2 1 337.386 1.099 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000155705097 442420429 /nfs/dbraw/zinc/42/04/29/442420429.db2.gz WJCVVHLFYJBOPI-MJGOQNOKSA-N 2 1 346.519 1.636 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000155755857 442424784 /nfs/dbraw/zinc/42/47/84/442424784.db2.gz ZAPZORFFSDZEFQ-NVXWUHKLSA-N 2 1 325.497 1.722 20 0 EDADMP COC(=O)[C@]1(C)CC[NH+]([C@H](C)CC[N@@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000178324115 442425145 /nfs/dbraw/zinc/42/51/45/442425145.db2.gz WQLCBOSFAFBAPO-ZTFGCOKTSA-N 2 1 340.464 1.535 20 0 EDADMP COC(=O)[C@]1(C)CC[NH+](CC[C@@H](C)[N@@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000178324115 442425146 /nfs/dbraw/zinc/42/51/46/442425146.db2.gz WQLCBOSFAFBAPO-ZTFGCOKTSA-N 2 1 340.464 1.535 20 0 EDADMP COC(=O)[C@]1(C)CC[NH+](CC[C@@H](C)[N@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000178324115 442425148 /nfs/dbraw/zinc/42/51/48/442425148.db2.gz WQLCBOSFAFBAPO-ZTFGCOKTSA-N 2 1 340.464 1.535 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000178842427 442500893 /nfs/dbraw/zinc/50/08/93/442500893.db2.gz BWRHORUWDUFEHJ-SIIHOXLZSA-N 2 1 349.475 1.768 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000178842427 442500897 /nfs/dbraw/zinc/50/08/97/442500897.db2.gz BWRHORUWDUFEHJ-SIIHOXLZSA-N 2 1 349.475 1.768 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000178719892 442462937 /nfs/dbraw/zinc/46/29/37/442462937.db2.gz SHCSSSHOESNDGI-BFYDXBDKSA-N 2 1 331.460 1.522 20 0 EDADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000191581294 442470134 /nfs/dbraw/zinc/47/01/34/442470134.db2.gz SCJFEPZOWQZBSN-SFHVURJKSA-N 2 1 327.428 1.947 20 0 EDADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)n1 ZINC000191581294 442470139 /nfs/dbraw/zinc/47/01/39/442470139.db2.gz SCJFEPZOWQZBSN-SFHVURJKSA-N 2 1 327.428 1.947 20 0 EDADMP O=C(CC1CC[NH2+]CC1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000178773964 442480738 /nfs/dbraw/zinc/48/07/38/442480738.db2.gz QOAXWJQZAHYTET-SFHVURJKSA-N 2 1 331.460 1.254 20 0 EDADMP COC(=O)[C@@H]1CCC[N@@H+](CCCN2CCC[C@H](C(=O)OC)C2)C1 ZINC000157800114 442614826 /nfs/dbraw/zinc/61/48/26/442614826.db2.gz RHDNMPFXAPULKC-GASCZTMLSA-N 2 1 326.437 1.147 20 0 EDADMP COC(=O)[C@@H]1CCC[N@H+](CCCN2CCC[C@H](C(=O)OC)C2)C1 ZINC000157800114 442614832 /nfs/dbraw/zinc/61/48/32/442614832.db2.gz RHDNMPFXAPULKC-GASCZTMLSA-N 2 1 326.437 1.147 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000173176377 442617166 /nfs/dbraw/zinc/61/71/66/442617166.db2.gz ALYGOZZBCJRJQR-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)[NH+]1CCN(CCCN2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000192741355 442682542 /nfs/dbraw/zinc/68/25/42/442682542.db2.gz VOXGAMPPMWNKJT-UHFFFAOYSA-N 2 1 340.556 1.181 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(Cc2nc(N(C)C)no2)CC1 ZINC000192773821 442684992 /nfs/dbraw/zinc/68/49/92/442684992.db2.gz GVQILQORYHMMGL-UHFFFAOYSA-N 2 1 339.484 1.706 20 0 EDADMP C[N@H+](CC[C@H]1CCOC1=O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188277990 442732714 /nfs/dbraw/zinc/73/27/14/442732714.db2.gz VCYSZEWDMNAYIN-PKOBYXMFSA-N 2 1 332.444 1.508 20 0 EDADMP C[N@@H+](CC[C@H]1CCOC1=O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188277990 442732717 /nfs/dbraw/zinc/73/27/17/442732717.db2.gz VCYSZEWDMNAYIN-PKOBYXMFSA-N 2 1 332.444 1.508 20 0 EDADMP C[NH+](CC[C@H]1CCOC1=O)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188277990 442732718 /nfs/dbraw/zinc/73/27/18/442732718.db2.gz VCYSZEWDMNAYIN-PKOBYXMFSA-N 2 1 332.444 1.508 20 0 EDADMP C[NH+](CC[C@H]1CCOC1=O)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188277990 442732721 /nfs/dbraw/zinc/73/27/21/442732721.db2.gz VCYSZEWDMNAYIN-PKOBYXMFSA-N 2 1 332.444 1.508 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)C3CC[NH2+]CC3)CC2)cn1 ZINC000182113422 442737239 /nfs/dbraw/zinc/73/72/39/442737239.db2.gz JAOZHHHRLZKRSQ-UHFFFAOYSA-N 2 1 333.480 1.327 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)C3CC[NH2+]CC3)CC2)cn1 ZINC000182113422 442737240 /nfs/dbraw/zinc/73/72/40/442737240.db2.gz JAOZHHHRLZKRSQ-UHFFFAOYSA-N 2 1 333.480 1.327 20 0 EDADMP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000193525129 442750876 /nfs/dbraw/zinc/75/08/76/442750876.db2.gz ZFKYSAOUJPAIAI-NXHRZFHOSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000193525129 442750878 /nfs/dbraw/zinc/75/08/78/442750878.db2.gz ZFKYSAOUJPAIAI-NXHRZFHOSA-N 2 1 331.460 1.534 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C12CCCCC2 ZINC000181687377 442709716 /nfs/dbraw/zinc/70/97/16/442709716.db2.gz FARAVITZFZFOTE-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182337917 442758695 /nfs/dbraw/zinc/75/86/95/442758695.db2.gz FMLZKEVUUGTKGP-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP COCC[NH+](CCOC)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000267859570 442770038 /nfs/dbraw/zinc/77/00/38/442770038.db2.gz HTVANWDPDIFOGL-KRWDZBQOSA-N 2 1 337.464 1.000 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000246377519 442777483 /nfs/dbraw/zinc/77/74/83/442777483.db2.gz RHPJHKPJFOXRPS-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000193917988 442812174 /nfs/dbraw/zinc/81/21/74/442812174.db2.gz AXUGADHQQZTRSL-AWEZNQCLSA-N 2 1 344.459 1.561 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000193917988 442812179 /nfs/dbraw/zinc/81/21/79/442812179.db2.gz AXUGADHQQZTRSL-AWEZNQCLSA-N 2 1 344.459 1.561 20 0 EDADMP C[C@H]1CCCC[NH+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000193917988 442812184 /nfs/dbraw/zinc/81/21/84/442812184.db2.gz AXUGADHQQZTRSL-AWEZNQCLSA-N 2 1 344.459 1.561 20 0 EDADMP C[C@H]1CCCC[NH+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000193917988 442812189 /nfs/dbraw/zinc/81/21/89/442812189.db2.gz AXUGADHQQZTRSL-AWEZNQCLSA-N 2 1 344.459 1.561 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246816714 442815352 /nfs/dbraw/zinc/81/53/52/442815352.db2.gz SDKCLKKCKUGYCC-HZPDHXFCSA-N 2 1 338.496 1.128 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)NCCCNc2ccc(C)c[nH+]2)C1 ZINC000265660116 442868145 /nfs/dbraw/zinc/86/81/45/442868145.db2.gz ZMYWSBNAHNNIAU-HNNXBMFYSA-N 2 1 335.452 1.212 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCCCNc2ccc(C)c[nH+]2)C1 ZINC000265660116 442868149 /nfs/dbraw/zinc/86/81/49/442868149.db2.gz ZMYWSBNAHNNIAU-HNNXBMFYSA-N 2 1 335.452 1.212 20 0 EDADMP Cc1cc(N2CCC([NH2+][C@@H](C)CS(C)(=O)=O)CC2)nc(C)[nH+]1 ZINC000183082290 442876218 /nfs/dbraw/zinc/87/62/18/442876218.db2.gz JKVOGBWEAGPICY-LBPRGKRZSA-N 2 1 326.466 1.085 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194902622 442966651 /nfs/dbraw/zinc/96/66/51/442966651.db2.gz WFGFYABULAXJBJ-BBWFWOEESA-N 2 1 342.528 1.713 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194902622 442966655 /nfs/dbraw/zinc/96/66/55/442966655.db2.gz WFGFYABULAXJBJ-BBWFWOEESA-N 2 1 342.528 1.713 20 0 EDADMP COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183685558 442952756 /nfs/dbraw/zinc/95/27/56/442952756.db2.gz QKYGVBRCIHKZIF-CHWSQXEVSA-N 2 1 344.415 1.509 20 0 EDADMP CO[C@@H]1C[NH+](CCOCC[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000251780146 443016808 /nfs/dbraw/zinc/01/68/08/443016808.db2.gz LIPJKSTUGNDPAD-WNRNVDISSA-N 2 1 328.497 1.717 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237601795 443176074 /nfs/dbraw/zinc/17/60/74/443176074.db2.gz FMIYFECGGBHHDI-ZMSDIMECSA-N 2 1 348.466 1.674 20 0 EDADMP CC[N@@H+](CCCO)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000266596079 443180024 /nfs/dbraw/zinc/18/00/24/443180024.db2.gz VQXMUTJKXXEDPP-UHFFFAOYSA-N 2 1 347.503 1.734 20 0 EDADMP CC[NH+](CCCO)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000266596079 443180026 /nfs/dbraw/zinc/18/00/26/443180026.db2.gz VQXMUTJKXXEDPP-UHFFFAOYSA-N 2 1 347.503 1.734 20 0 EDADMP CC[NH+](CCCO)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000266596079 443180028 /nfs/dbraw/zinc/18/00/28/443180028.db2.gz VQXMUTJKXXEDPP-UHFFFAOYSA-N 2 1 347.503 1.734 20 0 EDADMP C[NH+]1CCC(O)(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000268958206 443159258 /nfs/dbraw/zinc/15/92/58/443159258.db2.gz DZJILDSFOKHFKN-UHFFFAOYSA-N 3 1 331.504 1.740 20 0 EDADMP COC1(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000383430645 319125553 /nfs/dbraw/zinc/12/55/53/319125553.db2.gz BSNRRKZYASRGKP-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000269252165 443251312 /nfs/dbraw/zinc/25/13/12/443251312.db2.gz HVXIBSDSFWPONH-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nccn2ccnc12 ZINC000266812894 443252680 /nfs/dbraw/zinc/25/26/80/443252680.db2.gz IANKVJFEMYRDJV-OAHLLOKOSA-N 2 1 344.463 1.217 20 0 EDADMP COCC(COC)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000411868680 319209746 /nfs/dbraw/zinc/20/97/46/319209746.db2.gz ZCAZDMNROUGGSU-QGZVFWFLSA-N 2 1 327.513 1.528 20 0 EDADMP COCC(COC)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000411868680 319209749 /nfs/dbraw/zinc/20/97/49/319209749.db2.gz ZCAZDMNROUGGSU-QGZVFWFLSA-N 2 1 327.513 1.528 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)CC1 ZINC000411918539 319213666 /nfs/dbraw/zinc/21/36/66/319213666.db2.gz AKKBIWGVBLBATA-ROUUACIJSA-N 2 1 331.460 1.395 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)CC1 ZINC000411918539 319213669 /nfs/dbraw/zinc/21/36/69/319213669.db2.gz AKKBIWGVBLBATA-ROUUACIJSA-N 2 1 331.460 1.395 20 0 EDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000414201867 319319170 /nfs/dbraw/zinc/31/91/70/319319170.db2.gz YIBAZZPCTRORMV-KBPBESRZSA-N 2 1 325.478 1.717 20 0 EDADMP CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414680638 319341141 /nfs/dbraw/zinc/34/11/41/319341141.db2.gz NHKAUEUEDOOSLO-HNNXBMFYSA-N 2 1 333.432 1.435 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)oc1C ZINC000414684765 319342300 /nfs/dbraw/zinc/34/23/00/319342300.db2.gz WPEQVEXDQNKZIC-ZDUSSCGKSA-N 2 1 337.420 1.004 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000415176890 319347432 /nfs/dbraw/zinc/34/74/32/319347432.db2.gz YNYORJRFKVDPNL-DOTOQJQBSA-N 2 1 344.459 1.287 20 0 EDADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415893129 319382543 /nfs/dbraw/zinc/38/25/43/319382543.db2.gz KAMXIXSXZVUDRL-CXAGYDPISA-N 2 1 332.448 1.251 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000415971096 319386206 /nfs/dbraw/zinc/38/62/06/319386206.db2.gz JCYSZIAKEDUEDH-OAHLLOKOSA-N 2 1 347.463 1.115 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000415985157 319387481 /nfs/dbraw/zinc/38/74/81/319387481.db2.gz RRIRBBIWCJWFGZ-WMZOPIPTSA-N 2 1 346.475 1.981 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000191360271 443284946 /nfs/dbraw/zinc/28/49/46/443284946.db2.gz KCEAEILYJSCYQI-JYJNAYRXSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000266837726 443261955 /nfs/dbraw/zinc/26/19/55/443261955.db2.gz MLQXAHKTMATUSN-ZWKOTPCHSA-N 2 1 346.519 1.507 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CC1CC[NH2+]CC1 ZINC000269278601 443264303 /nfs/dbraw/zinc/26/43/03/443264303.db2.gz YSMYMJPVFNDJQS-MRXNPFEDSA-N 2 1 345.491 1.098 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000416934131 319477998 /nfs/dbraw/zinc/47/79/98/319477998.db2.gz DCESIPCCZHEGQZ-SJORKVTESA-N 2 1 340.512 1.550 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000272445831 443320918 /nfs/dbraw/zinc/32/09/18/443320918.db2.gz LWCWOKLQNXBERF-IEBWSBKVSA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000272445831 443320924 /nfs/dbraw/zinc/32/09/24/443320924.db2.gz LWCWOKLQNXBERF-IEBWSBKVSA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)NCC[N@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000272445831 443320929 /nfs/dbraw/zinc/32/09/29/443320929.db2.gz LWCWOKLQNXBERF-IEBWSBKVSA-N 2 1 342.487 1.780 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000272619904 443385528 /nfs/dbraw/zinc/38/55/28/443385528.db2.gz UJHYZTAFUOMSAL-FUHWJXTLSA-N 2 1 348.466 1.993 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000272619904 443385530 /nfs/dbraw/zinc/38/55/30/443385530.db2.gz UJHYZTAFUOMSAL-FUHWJXTLSA-N 2 1 348.466 1.993 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000272619904 443385533 /nfs/dbraw/zinc/38/55/33/443385533.db2.gz UJHYZTAFUOMSAL-FUHWJXTLSA-N 2 1 348.466 1.993 20 0 EDADMP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272654433 443398369 /nfs/dbraw/zinc/39/83/69/443398369.db2.gz LFZVPPHEOYLORG-HKUYNNGSSA-N 3 1 331.504 1.943 20 0 EDADMP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272654433 443398373 /nfs/dbraw/zinc/39/83/73/443398373.db2.gz LFZVPPHEOYLORG-HKUYNNGSSA-N 2 1 331.504 1.943 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000267418625 443450988 /nfs/dbraw/zinc/45/09/88/443450988.db2.gz LJAYTGDMYALUJZ-KBAYOESNSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000267418625 443450991 /nfs/dbraw/zinc/45/09/91/443450991.db2.gz LJAYTGDMYALUJZ-KBAYOESNSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000267418625 443450993 /nfs/dbraw/zinc/45/09/93/443450993.db2.gz LJAYTGDMYALUJZ-KBAYOESNSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000267418625 443450996 /nfs/dbraw/zinc/45/09/96/443450996.db2.gz LJAYTGDMYALUJZ-KBAYOESNSA-N 2 1 331.460 1.344 20 0 EDADMP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc(N2CCOCC2)c1 ZINC000423053723 319750212 /nfs/dbraw/zinc/75/02/12/319750212.db2.gz SITGPFIBAZHHOR-RCCFBDPRSA-N 2 1 330.476 1.929 20 0 EDADMP COC[C@]1(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)CC[NH2+]C1 ZINC000423303720 319762153 /nfs/dbraw/zinc/76/21/53/319762153.db2.gz JIRWHJNQTDAWEY-QAPCUYQASA-N 2 1 335.448 1.040 20 0 EDADMP C[C@H]1CN(C(=O)NCc2ccc(N(C)C)nc2)C[C@H]1[NH+]1CCOCC1 ZINC000267627467 443519140 /nfs/dbraw/zinc/51/91/40/443519140.db2.gz POSSVLHLEYTSOB-GOEBONIOSA-N 2 1 347.463 1.010 20 0 EDADMP COCC[C@]1(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CC[NH2+]C1 ZINC000423764456 319812776 /nfs/dbraw/zinc/81/27/76/319812776.db2.gz VUBXZTAPRYOBOQ-GOSISDBHSA-N 2 1 334.464 1.217 20 0 EDADMP C[NH+]1CCC(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000273185220 443556308 /nfs/dbraw/zinc/55/63/08/443556308.db2.gz HCBCFGBNERNFPD-UHFFFAOYSA-N 2 1 345.487 1.867 20 0 EDADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1-n1ccnn1 ZINC000286057678 443637083 /nfs/dbraw/zinc/63/70/83/443637083.db2.gz LGGRQBZJGBQAFY-HNNXBMFYSA-N 2 1 329.448 1.765 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000433155995 319972923 /nfs/dbraw/zinc/97/29/23/319972923.db2.gz HEEADOBIRMBHIE-AOIWGVFYSA-N 2 1 345.487 1.906 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cncc3ncnn32)CC1 ZINC000434860033 320004129 /nfs/dbraw/zinc/00/41/29/320004129.db2.gz WOAMIMVZLBDSHZ-UHFFFAOYSA-N 2 1 340.435 1.232 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000449643535 320196236 /nfs/dbraw/zinc/19/62/36/320196236.db2.gz IGFLXQWXLFONRS-MTSZKFMLSA-N 2 1 325.497 1.754 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+]1CCCC[C@H]1C ZINC000457724561 320333565 /nfs/dbraw/zinc/33/35/65/320333565.db2.gz ZANORGKDIKHMFQ-ZACQAIPSSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@@H+]1CCCC[C@H]1C ZINC000457724561 320333566 /nfs/dbraw/zinc/33/35/66/320333566.db2.gz ZANORGKDIKHMFQ-ZACQAIPSSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@H+]1CCCC[C@H]1C ZINC000457724561 320333567 /nfs/dbraw/zinc/33/35/67/320333567.db2.gz ZANORGKDIKHMFQ-ZACQAIPSSA-N 2 1 340.512 1.395 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000457733098 320334064 /nfs/dbraw/zinc/33/40/64/320334064.db2.gz FIDRRNWSWOUAMX-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000458694036 320338629 /nfs/dbraw/zinc/33/86/29/320338629.db2.gz RNIIHCDFDCNKNF-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000458711231 320339203 /nfs/dbraw/zinc/33/92/03/320339203.db2.gz XCTXZKUBLWWLDC-IBGZPJMESA-N 2 1 334.508 1.988 20 0 EDADMP CC[C@H]1CO[C@H](C)C[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000298268914 443734311 /nfs/dbraw/zinc/73/43/11/443734311.db2.gz GDYRWTLCXDFBQM-SJORKVTESA-N 2 1 346.475 1.620 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCc2cncn2C)CC[N@H+]1Cc1ccccc1 ZINC000292103829 443776697 /nfs/dbraw/zinc/77/66/97/443776697.db2.gz VQNODZUFBPNYKG-PBHICJAKSA-N 2 1 327.432 1.882 20 0 EDADMP COc1cccc([C@H](CNC(=O)N2CCC[N@@H+](C)CC2)[NH+](C)C)c1 ZINC000298638573 443825503 /nfs/dbraw/zinc/82/55/03/443825503.db2.gz FJGOCIFISICVDU-KRWDZBQOSA-N 2 1 334.464 1.645 20 0 EDADMP COc1cc(C[NH+]2CC[C@@](C)(O)C2)cc(C[N@H+]2CC[C@@](C)(O)C2)c1 ZINC000292751622 443834623 /nfs/dbraw/zinc/83/46/23/443834623.db2.gz WWPRYVSIJVRHCU-RTBURBONSA-N 2 1 334.460 1.609 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000298675942 443835395 /nfs/dbraw/zinc/83/53/95/443835395.db2.gz VXFZTYSDTDRFNO-GOSISDBHSA-N 2 1 332.492 1.897 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNc2ncnc3c2cnn3C)CCC[N@H+]1C ZINC000284975978 443805166 /nfs/dbraw/zinc/80/51/66/443805166.db2.gz SDEPGADQEGEKJB-SWLSCSKDSA-N 2 1 340.435 1.592 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNc2ncnc3c2cnn3C)CCCN1C ZINC000284975978 443805169 /nfs/dbraw/zinc/80/51/69/443805169.db2.gz SDEPGADQEGEKJB-SWLSCSKDSA-N 2 1 340.435 1.592 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000298601465 443812872 /nfs/dbraw/zinc/81/28/72/443812872.db2.gz AIOAWUSSZQJFKS-OAHLLOKOSA-N 2 1 342.509 1.618 20 0 EDADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NC(N)=O ZINC000298887217 443892648 /nfs/dbraw/zinc/89/26/48/443892648.db2.gz SJCXKNXBAVQTOP-ZIAGYGMSSA-N 2 1 332.448 1.734 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](O)C12CCCC2)c1ccccc1 ZINC000292831228 443854685 /nfs/dbraw/zinc/85/46/85/443854685.db2.gz UDXPORUJCUSCHC-QZTJIDSGSA-N 2 1 345.487 1.785 20 0 EDADMP CC[C@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC000281402597 443901618 /nfs/dbraw/zinc/90/16/18/443901618.db2.gz NQNWMHZSZSALRN-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP CC[C@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC000281402597 443901621 /nfs/dbraw/zinc/90/16/21/443901621.db2.gz NQNWMHZSZSALRN-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP CO[C@@H]1C[C@@H](CO)[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000285378111 443961195 /nfs/dbraw/zinc/96/11/95/443961195.db2.gz RKVOYVPXSWURDH-RBUKOAKNSA-N 2 1 333.476 1.280 20 0 EDADMP CNC(=O)NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000299188982 443977978 /nfs/dbraw/zinc/97/79/78/443977978.db2.gz CIYGTVSJKVVRHM-HOCLYGCPSA-N 2 1 332.448 1.332 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000299419925 444041901 /nfs/dbraw/zinc/04/19/01/444041901.db2.gz HGDVCVUVQYSTGL-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP COCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000299419925 444041905 /nfs/dbraw/zinc/04/19/05/444041905.db2.gz HGDVCVUVQYSTGL-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP COCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000299419925 444041910 /nfs/dbraw/zinc/04/19/10/444041910.db2.gz HGDVCVUVQYSTGL-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3c[nH+]ccc3N(C)C)C2)n(C)n1 ZINC000277807517 444045735 /nfs/dbraw/zinc/04/57/35/444045735.db2.gz YNPYRGOWTYVIGQ-INIZCTEOSA-N 2 1 328.464 1.948 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000299373387 444031481 /nfs/dbraw/zinc/03/14/81/444031481.db2.gz NICUULWAAKMOTN-YJBOKZPZSA-N 2 1 348.491 1.045 20 0 EDADMP C[NH2+][C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cnn(C)c1 ZINC000285691124 444075195 /nfs/dbraw/zinc/07/51/95/444075195.db2.gz AWCXENAFERVCRO-YOEHRIQHSA-N 2 1 343.475 1.926 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000285703012 444078994 /nfs/dbraw/zinc/07/89/94/444078994.db2.gz CEWYFUUIPFCKHI-NJAFHUGGSA-N 2 1 331.460 1.534 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000557140366 321000304 /nfs/dbraw/zinc/00/03/04/321000304.db2.gz AUYDQVYRSAPLAD-UHFFFAOYSA-N 2 1 331.464 1.644 20 0 EDADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)CO2 ZINC000560343613 321021505 /nfs/dbraw/zinc/02/15/05/321021505.db2.gz OLRSHOMZMAHOFM-IAGOWNOFSA-N 2 1 334.460 1.681 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000561178392 321035376 /nfs/dbraw/zinc/03/53/76/321035376.db2.gz FKLQGCMHQMHWDK-UAGQMJEPSA-N 2 1 332.448 1.019 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000561178392 321035378 /nfs/dbraw/zinc/03/53/78/321035378.db2.gz FKLQGCMHQMHWDK-UAGQMJEPSA-N 2 1 332.448 1.019 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)[C@@H](C)CO)CC2)CC1 ZINC000561284339 321038852 /nfs/dbraw/zinc/03/88/52/321038852.db2.gz AZPYIAXMTUVSAF-LSDHHAIUSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N(C)CCC[NH3+])cc2)C[C@H](C)O1 ZINC000564187885 321123204 /nfs/dbraw/zinc/12/32/04/321123204.db2.gz LNQGXHWITDMNKO-IYBDPMFKSA-N 2 1 348.491 1.786 20 0 EDADMP CC[C@H](C)[C@H](O)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000566443440 321231257 /nfs/dbraw/zinc/23/12/57/321231257.db2.gz SJUROMAEVXGGJS-MAUKXSAKSA-N 2 1 339.524 1.706 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@]3(C)CCC[NH2+]3)CC2)cc1 ZINC000567614681 321248492 /nfs/dbraw/zinc/24/84/92/321248492.db2.gz ADUAHKXMYKACLA-IBGZPJMESA-N 2 1 331.460 1.872 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@]3(C)CCC[NH2+]3)CC2)cc1 ZINC000567614681 321248493 /nfs/dbraw/zinc/24/84/93/321248493.db2.gz ADUAHKXMYKACLA-IBGZPJMESA-N 2 1 331.460 1.872 20 0 EDADMP Cc1ccc(NC(=O)[C@H]2CCCN(C[C@@H](O)C[N@H+](C)C3CC3)C2)nc1 ZINC000289299513 444100383 /nfs/dbraw/zinc/10/03/83/444100383.db2.gz CKPWFWAOEOIICH-RDJZCZTQSA-N 2 1 346.475 1.496 20 0 EDADMP Cc1cc(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)cc(N2CCCC2)[nH+]1 ZINC000568609742 321299014 /nfs/dbraw/zinc/29/90/14/321299014.db2.gz KPIPZEXTKQQDDG-INIZCTEOSA-N 2 1 347.463 1.168 20 0 EDADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000569185116 321320518 /nfs/dbraw/zinc/32/05/18/321320518.db2.gz QRUHQKXGRAOXPX-HOCLYGCPSA-N 2 1 326.448 1.971 20 0 EDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000569185116 321320519 /nfs/dbraw/zinc/32/05/19/321320519.db2.gz QRUHQKXGRAOXPX-HOCLYGCPSA-N 2 1 326.448 1.971 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](COc3ccccc3)C2)C1 ZINC000569318999 321324043 /nfs/dbraw/zinc/32/40/43/321324043.db2.gz OOUZIPKXJZDKDK-DLBZAZTESA-N 2 1 331.460 1.585 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)C1 ZINC000570813812 321359446 /nfs/dbraw/zinc/35/94/46/321359446.db2.gz KKNZIQHLVWEAPV-HOCLYGCPSA-N 2 1 331.464 1.502 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000570926668 321363750 /nfs/dbraw/zinc/36/37/50/321363750.db2.gz CWHACPISHIRAKC-CYBMUJFWSA-N 2 1 333.480 1.710 20 0 EDADMP [NH3+]C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000570941279 321365586 /nfs/dbraw/zinc/36/55/86/321365586.db2.gz UHZQTPDVKGJFFK-ROUUACIJSA-N 2 1 330.476 1.889 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000571093210 321370743 /nfs/dbraw/zinc/37/07/43/321370743.db2.gz HTUKZGCQOGQDSD-HDICACEKSA-N 2 1 330.476 1.178 20 0 EDADMP CN(CCC[N@@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1)CC[NH+](C)C ZINC000289410241 444134208 /nfs/dbraw/zinc/13/42/08/444134208.db2.gz LSUXYZIMGJVQTL-GOSISDBHSA-N 2 1 348.491 1.827 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[N@@H+](C)C1 ZINC000285982949 444169185 /nfs/dbraw/zinc/16/91/85/444169185.db2.gz OUNRPKFJAMWUMF-BZSNNMDCSA-N 2 1 348.491 1.650 20 0 EDADMP CO[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000289857245 444212009 /nfs/dbraw/zinc/21/20/09/444212009.db2.gz GHKPZAIYGDUATF-GOSISDBHSA-N 2 1 327.428 1.458 20 0 EDADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000574859553 321505569 /nfs/dbraw/zinc/50/55/69/321505569.db2.gz ZCBMGKVHWBITDW-FOLVSLTJSA-N 2 1 332.473 1.575 20 0 EDADMP C[C@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000575985955 321538747 /nfs/dbraw/zinc/53/87/47/321538747.db2.gz HWVGTVUEAHFJQH-QAPCUYQASA-N 2 1 346.475 1.222 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000289738528 444196834 /nfs/dbraw/zinc/19/68/34/444196834.db2.gz GZAVFCLIULMSHU-HOCLYGCPSA-N 2 1 335.448 1.294 20 0 EDADMP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000576410325 321564356 /nfs/dbraw/zinc/56/43/56/321564356.db2.gz CPOOXABNWIHJNL-QGZVFWFLSA-N 2 1 331.460 1.666 20 0 EDADMP CCO[C@H](C)c1noc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000303870264 444237816 /nfs/dbraw/zinc/23/78/16/444237816.db2.gz QBHJBLYTMKEUNS-ZIAGYGMSSA-N 2 1 340.468 1.692 20 0 EDADMP CCO[C@H](C)c1noc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000303870264 444237819 /nfs/dbraw/zinc/23/78/19/444237819.db2.gz QBHJBLYTMKEUNS-ZIAGYGMSSA-N 2 1 340.468 1.692 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000290079376 444239301 /nfs/dbraw/zinc/23/93/01/444239301.db2.gz VYPCCTYRYFBJQN-LZQZEXGQSA-N 2 1 345.487 1.912 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000290079376 444239304 /nfs/dbraw/zinc/23/93/04/444239304.db2.gz VYPCCTYRYFBJQN-LZQZEXGQSA-N 2 1 345.487 1.912 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](C[C@H](O)c3ccccc3F)C2)CC1 ZINC000305804285 444281449 /nfs/dbraw/zinc/28/14/49/444281449.db2.gz FUKHUWZETFNQTK-APWZRJJASA-N 2 1 335.467 1.961 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C[C@H](O)c3ccccc3F)C2)CC1 ZINC000305804285 444281451 /nfs/dbraw/zinc/28/14/51/444281451.db2.gz FUKHUWZETFNQTK-APWZRJJASA-N 2 1 335.467 1.961 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000337673607 444344321 /nfs/dbraw/zinc/34/43/21/444344321.db2.gz BHSFSEMSIICJTA-INIZCTEOSA-N 2 1 326.485 1.130 20 0 EDADMP C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000325358146 444364302 /nfs/dbraw/zinc/36/43/02/444364302.db2.gz FMOZLLVEBMQVLX-OAHLLOKOSA-N 2 1 331.460 1.794 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000340518592 444422796 /nfs/dbraw/zinc/42/27/96/444422796.db2.gz OMAMYZQFOKPINJ-QRQLOZEOSA-N 2 1 349.519 1.866 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000332002543 444494937 /nfs/dbraw/zinc/49/49/37/444494937.db2.gz OEBNYFDJRNLRQE-QKPAOTATSA-N 2 1 326.485 1.112 20 0 EDADMP CCn1nc(C)c([C@@H](C)NCc2n[nH]c(C3CC[NH2+]CC3)n2)c1C ZINC000580304782 322033816 /nfs/dbraw/zinc/03/38/16/322033816.db2.gz XWBMZHQMWXFTKM-LLVKDONJSA-N 2 1 331.468 1.956 20 0 EDADMP C[NH+](CCC(=O)N1CCC([N@@H+](C)CCCO)CC1)C1CCCCC1 ZINC000580684808 322081201 /nfs/dbraw/zinc/08/12/01/322081201.db2.gz UAANTFJEYJOFDV-UHFFFAOYSA-N 2 1 339.524 1.946 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000580684808 322081203 /nfs/dbraw/zinc/08/12/03/322081203.db2.gz UAANTFJEYJOFDV-UHFFFAOYSA-N 2 1 339.524 1.946 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000580684808 322081205 /nfs/dbraw/zinc/08/12/05/322081205.db2.gz UAANTFJEYJOFDV-UHFFFAOYSA-N 2 1 339.524 1.946 20 0 EDADMP CC1CCC(O)(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000580828951 322100378 /nfs/dbraw/zinc/10/03/78/322100378.db2.gz SEYFHJQGARGOOO-UHFFFAOYSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000581088772 322134736 /nfs/dbraw/zinc/13/47/36/322134736.db2.gz IDCROTDBFPKECK-ROUUACIJSA-N 2 1 344.503 1.655 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000581088772 322134737 /nfs/dbraw/zinc/13/47/37/322134737.db2.gz IDCROTDBFPKECK-ROUUACIJSA-N 2 1 344.503 1.655 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000581120592 322138017 /nfs/dbraw/zinc/13/80/17/322138017.db2.gz VDKAVRMUVJFKBL-BBWFWOEESA-N 2 1 339.528 1.075 20 0 EDADMP COCCOC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000581411459 322173872 /nfs/dbraw/zinc/17/38/72/322173872.db2.gz NSERRJQNYCAYMK-LJQANCHMSA-N 2 1 336.476 1.573 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(CO)CC4(CCC4)C3)cn2)CC1 ZINC000581585530 322194478 /nfs/dbraw/zinc/19/44/78/322194478.db2.gz FKUYIPLAMGGYHH-UHFFFAOYSA-N 2 1 345.491 1.261 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000581610142 322198591 /nfs/dbraw/zinc/19/85/91/322198591.db2.gz AJLWPITYJLMOMP-BBRMVZONSA-N 2 1 330.436 1.379 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000329229825 444507538 /nfs/dbraw/zinc/50/75/38/444507538.db2.gz JOGQNYPWZPGVFW-SFHVURJKSA-N 2 1 342.447 1.390 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000329229825 444507539 /nfs/dbraw/zinc/50/75/39/444507539.db2.gz JOGQNYPWZPGVFW-SFHVURJKSA-N 2 1 342.447 1.390 20 0 EDADMP CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000581734664 322215795 /nfs/dbraw/zinc/21/57/95/322215795.db2.gz SQDNFCOBIVJDJU-QGZVFWFLSA-N 2 1 348.535 1.536 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000581734664 322215796 /nfs/dbraw/zinc/21/57/96/322215796.db2.gz SQDNFCOBIVJDJU-QGZVFWFLSA-N 3 1 348.535 1.536 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000581734664 322215797 /nfs/dbraw/zinc/21/57/97/322215797.db2.gz SQDNFCOBIVJDJU-QGZVFWFLSA-N 3 1 348.535 1.536 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000582002646 322243650 /nfs/dbraw/zinc/24/36/50/322243650.db2.gz XDGSQMMSPQZCFQ-RCCFBDPRSA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000582002646 322243652 /nfs/dbraw/zinc/24/36/52/322243652.db2.gz XDGSQMMSPQZCFQ-RCCFBDPRSA-N 2 1 331.460 1.521 20 0 EDADMP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342147715 444534137 /nfs/dbraw/zinc/53/41/37/444534137.db2.gz ZDLBQQPJIWXBDS-HJWJTTGWSA-N 2 1 331.460 1.759 20 0 EDADMP C[NH+]1CCN(c2ncc(CNC3CC[NH+](C4CCC4)CC3)cn2)CC1 ZINC000343765364 444574301 /nfs/dbraw/zinc/57/43/01/444574301.db2.gz NDWGGGCAJCEUFN-UHFFFAOYSA-N 2 1 344.507 1.335 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCC1)CN1CC[NH+](C)CC1 ZINC000340848661 444541554 /nfs/dbraw/zinc/54/15/54/444541554.db2.gz IVSRAMQKPOVHDX-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H]1C[NH+](C)CCN1Cc1cccc(CN2CC[N@H+](C)C[C@H]2C)c1 ZINC000343727090 444548758 /nfs/dbraw/zinc/54/87/58/444548758.db2.gz XKXAJWTYFLSYIQ-QZTJIDSGSA-N 2 1 330.520 1.958 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)CC1 ZINC000338303007 444620478 /nfs/dbraw/zinc/62/04/78/444620478.db2.gz NBFFQAJKJWQMRB-MRXNPFEDSA-N 2 1 345.491 1.173 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)CC1 ZINC000338303007 444620482 /nfs/dbraw/zinc/62/04/82/444620482.db2.gz NBFFQAJKJWQMRB-MRXNPFEDSA-N 2 1 345.491 1.173 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000333303231 444655725 /nfs/dbraw/zinc/65/57/25/444655725.db2.gz QJTLDRLDXMOQMW-HRCADAONSA-N 2 1 327.538 1.690 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000342349521 444647587 /nfs/dbraw/zinc/64/75/87/444647587.db2.gz RNYKBGAVUZWDLZ-KYJSFNMBSA-N 2 1 334.508 1.842 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000342349521 444647592 /nfs/dbraw/zinc/64/75/92/444647592.db2.gz RNYKBGAVUZWDLZ-KYJSFNMBSA-N 2 1 334.508 1.842 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000342349521 444647596 /nfs/dbraw/zinc/64/75/96/444647596.db2.gz RNYKBGAVUZWDLZ-KYJSFNMBSA-N 2 1 334.508 1.842 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000333890551 444709519 /nfs/dbraw/zinc/70/95/19/444709519.db2.gz GVADRZJEVWVNQJ-MRXNPFEDSA-N 2 1 338.496 1.415 20 0 EDADMP [NH3+]CC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000333912672 444716337 /nfs/dbraw/zinc/71/63/37/444716337.db2.gz LXRUHWVIVURKMC-UHFFFAOYSA-N 2 1 338.496 1.402 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000341120686 444683915 /nfs/dbraw/zinc/68/39/15/444683915.db2.gz KQPQENXAPBJWMU-GJZGRUSLSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344063324 444759800 /nfs/dbraw/zinc/75/98/00/444759800.db2.gz NKAWEBNFQKEGSY-KZNAEPCWSA-N 2 1 340.556 1.885 20 0 EDADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCS(=O)(=O)N(C)C)C2)CC1 ZINC000336870684 444814509 /nfs/dbraw/zinc/81/45/09/444814509.db2.gz JXJAOAFQKPMUTK-KRWDZBQOSA-N 2 1 345.553 1.712 20 0 EDADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCS(=O)(=O)N(C)C)C2)CC1 ZINC000336870684 444814512 /nfs/dbraw/zinc/81/45/12/444814512.db2.gz JXJAOAFQKPMUTK-KRWDZBQOSA-N 2 1 345.553 1.712 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCC[C@H](CCOC)C2)CC1 ZINC000342697997 444820535 /nfs/dbraw/zinc/82/05/35/444820535.db2.gz FEBAIDJOAREDGO-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCC[C@H](CCOC)C2)CC1 ZINC000342697997 444820541 /nfs/dbraw/zinc/82/05/41/444820541.db2.gz FEBAIDJOAREDGO-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000342716190 444830769 /nfs/dbraw/zinc/83/07/69/444830769.db2.gz VABJDAFPUUGIKR-CRAIPNDOSA-N 2 1 331.460 1.523 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000330084170 444838765 /nfs/dbraw/zinc/83/87/65/444838765.db2.gz KYMNYODHLXLISU-CVEARBPZSA-N 2 1 331.464 1.384 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[NH2+]CC2(F)F)[NH+](C)C)cc1 ZINC000342764962 444855160 /nfs/dbraw/zinc/85/51/60/444855160.db2.gz KYUHDKXNJLROKF-LSDHHAIUSA-N 2 1 325.403 1.959 20 0 EDADMP CC[C@@H](C(=O)OC)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000338839612 444882809 /nfs/dbraw/zinc/88/28/09/444882809.db2.gz HMYPYLSEBRVDNI-LSDHHAIUSA-N 2 1 327.469 1.060 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1C ZINC000330233951 444899305 /nfs/dbraw/zinc/89/93/05/444899305.db2.gz YCUVKXIYKGWITF-KGLIPLIRSA-N 2 1 334.468 1.706 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000342862279 444899411 /nfs/dbraw/zinc/89/94/11/444899411.db2.gz RFBYBHGKKJCPJN-WBMJQRKESA-N 2 1 331.464 1.376 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000342862279 444899415 /nfs/dbraw/zinc/89/94/15/444899415.db2.gz RFBYBHGKKJCPJN-WBMJQRKESA-N 2 1 331.464 1.376 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000341707275 444961266 /nfs/dbraw/zinc/96/12/66/444961266.db2.gz VEXMNOUQZAWJHM-SFHVURJKSA-N 2 1 346.519 1.651 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000342906340 444933750 /nfs/dbraw/zinc/93/37/50/444933750.db2.gz ZWQUVTSPKCPUGZ-KBXCAEBGSA-N 2 1 330.476 1.746 20 0 EDADMP CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000341784067 445000671 /nfs/dbraw/zinc/00/06/71/445000671.db2.gz ZXQNDXSNGUMPQI-SFHVURJKSA-N 2 1 344.503 1.751 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2cccnc2)CC1 ZINC000619176619 450421439 /nfs/dbraw/zinc/42/14/39/450421439.db2.gz HCXYHFKKJYSULO-UHFFFAOYSA-N 2 1 325.416 1.800 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000343090102 445053998 /nfs/dbraw/zinc/05/39/98/445053998.db2.gz GZGFMWJLWLYJBP-NJAFHUGGSA-N 2 1 330.476 1.560 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000343090102 445054001 /nfs/dbraw/zinc/05/40/01/445054001.db2.gz GZGFMWJLWLYJBP-NJAFHUGGSA-N 2 1 330.476 1.560 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000343090102 445054006 /nfs/dbraw/zinc/05/40/06/445054006.db2.gz GZGFMWJLWLYJBP-NJAFHUGGSA-N 2 1 330.476 1.560 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000337381147 445056270 /nfs/dbraw/zinc/05/62/70/445056270.db2.gz UWYKGCZZUBJLKC-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000337381147 445056277 /nfs/dbraw/zinc/05/62/77/445056277.db2.gz UWYKGCZZUBJLKC-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H](CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@@H+](C)C1CC1 ZINC000341986426 445108297 /nfs/dbraw/zinc/10/82/97/445108297.db2.gz UUMALLXBKZKUJK-DZGCQCFKSA-N 2 1 340.512 1.068 20 0 EDADMP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342115388 445180201 /nfs/dbraw/zinc/18/02/01/445180201.db2.gz XPGJVJRFPBNDOW-AETAKHFUSA-N 2 1 333.451 1.932 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCC[N@H+]1C ZINC000339499108 445146139 /nfs/dbraw/zinc/14/61/39/445146139.db2.gz BTLQOCPYOUJUKH-OCCSQVGLSA-N 2 1 338.496 1.011 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000343220416 445146256 /nfs/dbraw/zinc/14/62/56/445146256.db2.gz SDRNCIDOKMXYMK-HUUCEWRRSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000346206388 445208090 /nfs/dbraw/zinc/20/80/90/445208090.db2.gz CNUNLFWQAGZZRN-QGZVFWFLSA-N 2 1 327.513 1.922 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000346206388 445208092 /nfs/dbraw/zinc/20/80/92/445208092.db2.gz CNUNLFWQAGZZRN-QGZVFWFLSA-N 2 1 327.513 1.922 20 0 EDADMP CCn1nccc1[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000343390672 445214602 /nfs/dbraw/zinc/21/46/02/445214602.db2.gz BWORILBBAMGQFS-CRAIPNDOSA-N 2 1 336.480 1.681 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000345708534 445197009 /nfs/dbraw/zinc/19/70/09/445197009.db2.gz JHKIJTVFVITYIU-YUELXQCFSA-N 2 1 325.403 1.996 20 0 EDADMP CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000346954296 445228680 /nfs/dbraw/zinc/22/86/80/445228680.db2.gz AVHZQDGOKRGDJO-LSDHHAIUSA-N 2 1 337.468 1.284 20 0 EDADMP CO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000346954296 445228681 /nfs/dbraw/zinc/22/86/81/445228681.db2.gz AVHZQDGOKRGDJO-LSDHHAIUSA-N 2 1 337.468 1.284 20 0 EDADMP Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000343533609 445239833 /nfs/dbraw/zinc/23/98/33/445239833.db2.gz CRMYYPSQTDDMOT-AFQPOQBFSA-N 2 1 348.491 1.681 20 0 EDADMP Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000343575121 445247611 /nfs/dbraw/zinc/24/76/11/445247611.db2.gz HYIKVYWKTWSKFB-MAUKXSAKSA-N 2 1 336.480 1.276 20 0 EDADMP Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000343575121 445247615 /nfs/dbraw/zinc/24/76/15/445247615.db2.gz HYIKVYWKTWSKFB-MAUKXSAKSA-N 2 1 336.480 1.276 20 0 EDADMP CC(C)[C@H](CO)[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000351643071 445255016 /nfs/dbraw/zinc/25/50/16/445255016.db2.gz ZUSDCKFCDIEJCU-SFHVURJKSA-N 2 1 333.476 1.327 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)CCC[N@H+]1C ZINC000343599087 445257431 /nfs/dbraw/zinc/25/74/31/445257431.db2.gz JIHGEVSZEOZWMW-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC[N@@H+]2CCc3ccccc3C2)CCC[NH+]1C ZINC000343599087 445257436 /nfs/dbraw/zinc/25/74/36/445257436.db2.gz JIHGEVSZEOZWMW-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC[N@H+]2CCc3ccccc3C2)CCC[NH+]1C ZINC000343599087 445257440 /nfs/dbraw/zinc/25/74/40/445257440.db2.gz JIHGEVSZEOZWMW-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000348201542 445313997 /nfs/dbraw/zinc/31/39/97/445313997.db2.gz PMKIDESLBFVIEU-HZPDHXFCSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000348201542 445314000 /nfs/dbraw/zinc/31/40/00/445314000.db2.gz PMKIDESLBFVIEU-HZPDHXFCSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000348535465 445317335 /nfs/dbraw/zinc/31/73/35/445317335.db2.gz UVTZJQGOJJXVPO-SJORKVTESA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000348535465 445317337 /nfs/dbraw/zinc/31/73/37/445317337.db2.gz UVTZJQGOJJXVPO-SJORKVTESA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000348535465 445317340 /nfs/dbraw/zinc/31/73/40/445317340.db2.gz UVTZJQGOJJXVPO-SJORKVTESA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351859147 445345174 /nfs/dbraw/zinc/34/51/74/445345174.db2.gz FQABABYACXFNJJ-HOTGVXAUSA-N 2 1 348.466 1.534 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000348833799 445407914 /nfs/dbraw/zinc/40/79/14/445407914.db2.gz QMXIZCSBHPMSNM-LPHOPBHVSA-N 2 1 345.487 1.660 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000348833799 445407915 /nfs/dbraw/zinc/40/79/15/445407915.db2.gz QMXIZCSBHPMSNM-LPHOPBHVSA-N 2 1 345.487 1.660 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000348833799 445407916 /nfs/dbraw/zinc/40/79/16/445407916.db2.gz QMXIZCSBHPMSNM-LPHOPBHVSA-N 2 1 345.487 1.660 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000348833799 445407917 /nfs/dbraw/zinc/40/79/17/445407917.db2.gz QMXIZCSBHPMSNM-LPHOPBHVSA-N 2 1 345.487 1.660 20 0 EDADMP CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357088704 445419866 /nfs/dbraw/zinc/41/98/66/445419866.db2.gz TUJQDULUXZEZLR-MRXNPFEDSA-N 2 1 344.459 1.905 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000362523478 445424010 /nfs/dbraw/zinc/42/40/10/445424010.db2.gz FCHRIAOUWHACAN-QFBILLFUSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000362523478 445424015 /nfs/dbraw/zinc/42/40/15/445424015.db2.gz FCHRIAOUWHACAN-QFBILLFUSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000362523478 445424020 /nfs/dbraw/zinc/42/40/20/445424020.db2.gz FCHRIAOUWHACAN-QFBILLFUSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@H]1CCN(C(=O)CCOC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000349032576 445482027 /nfs/dbraw/zinc/48/20/27/445482027.db2.gz XNXRNOFPCNXEIP-INIZCTEOSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362548517 445433463 /nfs/dbraw/zinc/43/34/63/445433463.db2.gz UTQWKUWYUQRLQU-CVEARBPZSA-N 2 1 330.476 1.965 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C[C@H](C)O1 ZINC000362557911 445438403 /nfs/dbraw/zinc/43/84/03/445438403.db2.gz DWCMYJITMXKHLK-QLFBSQMISA-N 2 1 349.479 1.106 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000362725964 445520409 /nfs/dbraw/zinc/52/04/09/445520409.db2.gz RTZHUGOYVAKHDQ-LPHOPBHVSA-N 2 1 344.503 1.745 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000349045580 445487280 /nfs/dbraw/zinc/48/72/80/445487280.db2.gz FDQSYNHKKUVVKI-SJKOYZFVSA-N 2 1 326.400 1.545 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)CCOC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000349060664 445491574 /nfs/dbraw/zinc/49/15/74/445491574.db2.gz VLLJJCFNULTYLM-RDJZCZTQSA-N 2 1 331.460 1.534 20 0 EDADMP CC[C@@H](C(=O)N1CCC[NH+]([C@@H](C)CO)CC1)[N@@H+](C)Cc1ccccc1 ZINC000355974207 445552103 /nfs/dbraw/zinc/55/21/03/445552103.db2.gz SWXQIWHKIZEPDM-HKUYNNGSSA-N 2 1 347.503 1.812 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000352848526 445559166 /nfs/dbraw/zinc/55/91/66/445559166.db2.gz WENPKWIGOVODLL-INIZCTEOSA-N 2 1 332.448 1.331 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1CC ZINC000362831170 445571586 /nfs/dbraw/zinc/57/15/86/445571586.db2.gz OUODNFOFIGHXGR-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362856161 445583336 /nfs/dbraw/zinc/58/33/36/445583336.db2.gz PZZVGHXTYQPFES-NVXWUHKLSA-N 2 1 325.497 1.534 20 0 EDADMP C[N@@H+](CCNc1ccnc(N2CCOCC2)n1)Cc1ccc(F)cc1 ZINC000353293866 445586348 /nfs/dbraw/zinc/58/63/48/445586348.db2.gz OXKCMFKAJJJKEB-UHFFFAOYSA-N 2 1 345.422 1.996 20 0 EDADMP C[N@@H+](CCNc1cc[nH+]c(N2CCOCC2)n1)Cc1ccc(F)cc1 ZINC000353293866 445586354 /nfs/dbraw/zinc/58/63/54/445586354.db2.gz OXKCMFKAJJJKEB-UHFFFAOYSA-N 2 1 345.422 1.996 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000349251177 445547369 /nfs/dbraw/zinc/54/73/69/445547369.db2.gz IKGKRUXMKFAFFM-IYBDPMFKSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000349612259 445622533 /nfs/dbraw/zinc/62/25/33/445622533.db2.gz AAYCEXNVMLOGDE-HZPDHXFCSA-N 2 1 348.491 1.345 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000362878421 445593147 /nfs/dbraw/zinc/59/31/47/445593147.db2.gz VWTFWVHTTHVRKU-RDTXWAMCSA-N 2 1 331.460 1.780 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000363001417 445645470 /nfs/dbraw/zinc/64/54/70/445645470.db2.gz NFKSLUIWWOHEEW-FUHWJXTLSA-N 2 1 339.524 1.781 20 0 EDADMP COCC[NH+](C)CCCC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000363001417 445645477 /nfs/dbraw/zinc/64/54/77/445645477.db2.gz NFKSLUIWWOHEEW-FUHWJXTLSA-N 2 1 339.524 1.781 20 0 EDADMP COCC[NH+](C)CCCC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000363001417 445645482 /nfs/dbraw/zinc/64/54/82/445645482.db2.gz NFKSLUIWWOHEEW-FUHWJXTLSA-N 2 1 339.524 1.781 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)N(C)C ZINC000349780676 445675945 /nfs/dbraw/zinc/67/59/45/445675945.db2.gz XIHGJVFOAYFQIZ-WBVHZDCISA-N 2 1 346.475 1.788 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000349780676 445675952 /nfs/dbraw/zinc/67/59/52/445675952.db2.gz XIHGJVFOAYFQIZ-WBVHZDCISA-N 2 1 346.475 1.788 20 0 EDADMP C[NH+](C)CC1(C(=O)N2CC[NH+](CC(C)(C)O)CC2)CCCCC1 ZINC000358621521 445681080 /nfs/dbraw/zinc/68/10/80/445681080.db2.gz ASTKXUOONBECQJ-UHFFFAOYSA-N 2 1 325.497 1.414 20 0 EDADMP CNS(=O)(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360328391 445696432 /nfs/dbraw/zinc/69/64/32/445696432.db2.gz FVXYOSWJSYGVPO-RDJZCZTQSA-N 2 1 339.505 1.426 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000363150177 445697176 /nfs/dbraw/zinc/69/71/76/445697176.db2.gz MPRQFZRDFQWKFX-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000363150177 445697181 /nfs/dbraw/zinc/69/71/81/445697181.db2.gz MPRQFZRDFQWKFX-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000353683661 445705204 /nfs/dbraw/zinc/70/52/04/445705204.db2.gz ZMOVIIBFCKZLSF-OALUTQOASA-N 2 1 343.475 1.803 20 0 EDADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000353688281 445707927 /nfs/dbraw/zinc/70/79/27/445707927.db2.gz WDQOZUPGUKIORH-CZUORRHYSA-N 2 1 325.403 1.868 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)[NH+]1CCOCC1 ZINC000353695398 445712982 /nfs/dbraw/zinc/71/29/82/445712982.db2.gz SAIYRNFXGTZKNO-IKGGRYGDSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1CCOCC1 ZINC000353695398 445712986 /nfs/dbraw/zinc/71/29/86/445712986.db2.gz SAIYRNFXGTZKNO-IKGGRYGDSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349903796 445717058 /nfs/dbraw/zinc/71/70/58/445717058.db2.gz BJYOJNMSMMXHMK-SQNIBIBYSA-N 2 1 327.513 1.120 20 0 EDADMP COCC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)CC(C)C ZINC000363078762 445669604 /nfs/dbraw/zinc/66/96/04/445669604.db2.gz CVDSOXJLRSIPPK-QGZVFWFLSA-N 2 1 343.512 1.064 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+](C)C ZINC000363224182 445730258 /nfs/dbraw/zinc/73/02/58/445730258.db2.gz RNVRAGBOGCGQHA-CGTJXYLNSA-N 2 1 332.492 1.994 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000358708696 445732726 /nfs/dbraw/zinc/73/27/26/445732726.db2.gz QRCZMHGBDNFCIX-NVXWUHKLSA-N 2 1 326.485 1.007 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](CCNS(C)(=O)=O)CC1)CC(C)C ZINC000358736082 445751085 /nfs/dbraw/zinc/75/10/85/445751085.db2.gz JSYWTOOWGQVHEM-UHFFFAOYSA-N 2 1 333.542 1.616 20 0 EDADMP CC[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)[NH+](CC)CC ZINC000353779815 445752905 /nfs/dbraw/zinc/75/29/05/445752905.db2.gz KKGPRXYTYBGBTP-ROUUACIJSA-N 2 1 338.540 1.735 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000363304848 445758920 /nfs/dbraw/zinc/75/89/20/445758920.db2.gz LGNRRGYASYHESF-CRAIPNDOSA-N 2 1 330.476 1.750 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)C[N@H+]1C1CC1 ZINC000358880025 445828825 /nfs/dbraw/zinc/82/88/25/445828825.db2.gz BKLQRHWASVKPFW-CVEARBPZSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)C[NH+]1C1CC1 ZINC000358880025 445828828 /nfs/dbraw/zinc/82/88/28/445828828.db2.gz BKLQRHWASVKPFW-CVEARBPZSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[NH+]1C1CC1 ZINC000358880025 445828830 /nfs/dbraw/zinc/82/88/30/445828830.db2.gz BKLQRHWASVKPFW-CVEARBPZSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000358880025 445828832 /nfs/dbraw/zinc/82/88/32/445828832.db2.gz BKLQRHWASVKPFW-CVEARBPZSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C[N@H+]1C1CC1 ZINC000358880025 445828834 /nfs/dbraw/zinc/82/88/34/445828834.db2.gz BKLQRHWASVKPFW-CVEARBPZSA-N 2 1 339.528 1.137 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000358846562 445807406 /nfs/dbraw/zinc/80/74/06/445807406.db2.gz KTOGAEATZCUESB-RDJZCZTQSA-N 2 1 325.497 1.412 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000365958982 445928564 /nfs/dbraw/zinc/92/85/64/445928564.db2.gz FBLXPDDAPLCFAB-IRXDYDNUSA-N 2 1 331.460 1.731 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000365958982 445928573 /nfs/dbraw/zinc/92/85/73/445928573.db2.gz FBLXPDDAPLCFAB-IRXDYDNUSA-N 2 1 331.460 1.731 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000359028386 445897180 /nfs/dbraw/zinc/89/71/80/445897180.db2.gz AXOGKDMEPFGPPS-CVEARBPZSA-N 2 1 328.501 1.515 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000359028386 445897184 /nfs/dbraw/zinc/89/71/84/445897184.db2.gz AXOGKDMEPFGPPS-CVEARBPZSA-N 2 1 328.501 1.515 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000359028386 445897186 /nfs/dbraw/zinc/89/71/86/445897186.db2.gz AXOGKDMEPFGPPS-CVEARBPZSA-N 2 1 328.501 1.515 20 0 EDADMP [NH3+]CC1(CC(=O)N2CCC[N@H+](C3CCOCC3)CC2)CCCCC1 ZINC000364220505 445901903 /nfs/dbraw/zinc/90/19/03/445901903.db2.gz MLPWJMNNYXJYDR-UHFFFAOYSA-N 2 1 337.508 1.999 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)Cc3ccccc3C2)C[N@H+]1C1CC1 ZINC000365917279 445905526 /nfs/dbraw/zinc/90/55/26/445905526.db2.gz DZMBBLVSAHFCKE-RHSMWYFYSA-N 2 1 327.472 1.827 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)CC1 ZINC000365918971 445906901 /nfs/dbraw/zinc/90/69/01/445906901.db2.gz HVRXSSXACSOYQP-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000365918971 445906904 /nfs/dbraw/zinc/90/69/04/445906904.db2.gz HVRXSSXACSOYQP-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000365918971 445906908 /nfs/dbraw/zinc/90/69/08/445906908.db2.gz HVRXSSXACSOYQP-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCN1CCOC1=O ZINC000364457868 445924433 /nfs/dbraw/zinc/92/44/33/445924433.db2.gz LQUXZRLAFISWHL-PMPSAXMXSA-N 2 1 325.453 1.308 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC(n3ccnc3)CC2)CCCO1 ZINC000372987043 445960783 /nfs/dbraw/zinc/96/07/83/445960783.db2.gz XKXJDWVYNCTXIK-MRXNPFEDSA-N 2 1 349.479 1.731 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000361789031 445946690 /nfs/dbraw/zinc/94/66/90/445946690.db2.gz PVOQBRQORABNTO-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000361789031 445946694 /nfs/dbraw/zinc/94/66/94/445946694.db2.gz PVOQBRQORABNTO-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000373087794 446018758 /nfs/dbraw/zinc/01/87/58/446018758.db2.gz MURGCINXYPYGTP-MAUKXSAKSA-N 2 1 334.439 1.015 20 0 EDADMP COCCSCCC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000365131072 446043769 /nfs/dbraw/zinc/04/37/69/446043769.db2.gz HQEKZDWUSVECSH-KRWDZBQOSA-N 2 1 329.554 1.858 20 0 EDADMP COCCSCCC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000365131072 446043772 /nfs/dbraw/zinc/04/37/72/446043772.db2.gz HQEKZDWUSVECSH-KRWDZBQOSA-N 2 1 329.554 1.858 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CN(C2CC2)CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000366082224 446001113 /nfs/dbraw/zinc/00/11/13/446001113.db2.gz CJQWXIPZUNODSY-BFYDXBDKSA-N 2 1 338.496 1.269 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000354218852 446012354 /nfs/dbraw/zinc/01/23/54/446012354.db2.gz BMRRXAPXKXHSCI-RHSMWYFYSA-N 2 1 346.475 1.919 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000354218852 446012362 /nfs/dbraw/zinc/01/23/62/446012362.db2.gz BMRRXAPXKXHSCI-RHSMWYFYSA-N 2 1 346.475 1.919 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000354218852 446012370 /nfs/dbraw/zinc/01/23/70/446012370.db2.gz BMRRXAPXKXHSCI-RHSMWYFYSA-N 2 1 346.475 1.919 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@@H+]([C@H]3CC(=O)N(CC(F)(F)F)C3=O)C2)CC1 ZINC000365139319 446048891 /nfs/dbraw/zinc/04/88/91/446048891.db2.gz YTSXGOCNUSLDDZ-STQMWFEESA-N 2 1 347.381 1.340 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@H+]([C@H]3CC(=O)N(CC(F)(F)F)C3=O)C2)CC1 ZINC000365139319 446048895 /nfs/dbraw/zinc/04/88/95/446048895.db2.gz YTSXGOCNUSLDDZ-STQMWFEESA-N 2 1 347.381 1.340 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000583504904 326086796 /nfs/dbraw/zinc/08/67/96/326086796.db2.gz JVKGRQRRSMQQQE-QGZVFWFLSA-N 2 1 331.420 1.281 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)c2cccs2)CC1 ZINC000584228491 326224381 /nfs/dbraw/zinc/22/43/81/326224381.db2.gz ALMLHBOVHHSUHQ-RYUDHWBXSA-N 2 1 346.447 1.135 20 0 EDADMP O=C(NC1CCN(c2ccccn2)CC1)N1CCN(C2CCC2)CC1 ZINC000369314233 446066511 /nfs/dbraw/zinc/06/65/11/446066511.db2.gz ABWSHSQMUDSFFS-UHFFFAOYSA-N 2 1 343.475 1.930 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCc3cnn(-c4ccccc4)c3)C[C@@H]12 ZINC000351472206 446072441 /nfs/dbraw/zinc/07/24/41/446072441.db2.gz AFTMREIZATXTQE-CGTJXYLNSA-N 2 1 339.443 1.158 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCc3cnn(-c4ccccc4)c3)C[C@@H]12 ZINC000351472206 446072445 /nfs/dbraw/zinc/07/24/45/446072445.db2.gz AFTMREIZATXTQE-CGTJXYLNSA-N 2 1 339.443 1.158 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCCc3nc4ccccc4s3)C[C@@H]12 ZINC000351481642 446082055 /nfs/dbraw/zinc/08/20/55/446082055.db2.gz XWXFVXWXIQLAHI-BFHYXJOUSA-N 2 1 344.484 1.624 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCCc3nc4ccccc4s3)C[C@@H]12 ZINC000351481642 446082061 /nfs/dbraw/zinc/08/20/61/446082061.db2.gz XWXFVXWXIQLAHI-BFHYXJOUSA-N 2 1 344.484 1.624 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351481616 446082681 /nfs/dbraw/zinc/08/26/81/446082681.db2.gz XTMPCIPAFASIDU-CGTJXYLNSA-N 2 1 331.460 1.508 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351481616 446082691 /nfs/dbraw/zinc/08/26/91/446082691.db2.gz XTMPCIPAFASIDU-CGTJXYLNSA-N 2 1 331.460 1.508 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCCOc3ccc(Cl)cc3)C[C@H]12 ZINC000351495940 446099887 /nfs/dbraw/zinc/09/98/87/446099887.db2.gz QELMLUSIDWMCTI-UHOFOFEASA-N 2 1 337.851 1.504 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCCOc3ccc(Cl)cc3)C[C@H]12 ZINC000351495940 446099892 /nfs/dbraw/zinc/09/98/92/446099892.db2.gz QELMLUSIDWMCTI-UHOFOFEASA-N 2 1 337.851 1.504 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000359266889 446104025 /nfs/dbraw/zinc/10/40/25/446104025.db2.gz UXOOJHDZNRLEAF-HOTGVXAUSA-N 2 1 340.512 1.214 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCCC[C@@H]1CC ZINC000359282898 446118088 /nfs/dbraw/zinc/11/80/88/446118088.db2.gz XSNPBYHPXZEZTN-HOTGVXAUSA-N 2 1 340.512 1.214 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000359282898 446118091 /nfs/dbraw/zinc/11/80/91/446118091.db2.gz XSNPBYHPXZEZTN-HOTGVXAUSA-N 2 1 340.512 1.214 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000359282898 446118093 /nfs/dbraw/zinc/11/80/93/446118093.db2.gz XSNPBYHPXZEZTN-HOTGVXAUSA-N 2 1 340.512 1.214 20 0 EDADMP C[N@@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365275234 446120461 /nfs/dbraw/zinc/12/04/61/446120461.db2.gz NWLRPSGFVPJMQK-SJORKVTESA-N 2 1 335.492 1.573 20 0 EDADMP O=C(NC[C@H]1CCc2[nH+]ccn2C1)NC1CC([NH+]2CCCCC2)C1 ZINC000366339650 446162530 /nfs/dbraw/zinc/16/25/30/446162530.db2.gz OJBOZMHHPGMKQV-QQFBHYJXSA-N 2 1 331.464 1.762 20 0 EDADMP O=C(NC1CC[NH+](CC2CC2)CC1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365356638 446165420 /nfs/dbraw/zinc/16/54/20/446165420.db2.gz LRPKNWYUEPTCIC-YTQUADARSA-N 2 1 346.519 1.987 20 0 EDADMP COCC[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000366326166 446152638 /nfs/dbraw/zinc/15/26/38/446152638.db2.gz DRSBGDQYZLWSKM-WMLDXEAASA-N 2 1 339.867 1.685 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000366325416 446152797 /nfs/dbraw/zinc/15/27/97/446152797.db2.gz PYYRLNIUAUKHAN-QGZVFWFLSA-N 3 1 336.524 1.299 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C3CC3)CC2)C1 ZINC000366426843 446209403 /nfs/dbraw/zinc/20/94/03/446209403.db2.gz HIDAZOHYQMNXPN-GOSISDBHSA-N 2 1 337.508 1.581 20 0 EDADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](COC)Cc1ccccc1 ZINC000351621195 446214810 /nfs/dbraw/zinc/21/48/10/446214810.db2.gz VMQAGXIMLBOOJL-SFHVURJKSA-N 2 1 333.476 1.388 20 0 EDADMP CNS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000359529564 446278199 /nfs/dbraw/zinc/27/81/99/446278199.db2.gz JWTCNFYSMXZTFS-ZDUSSCGKSA-N 2 1 336.461 1.771 20 0 EDADMP C[NH+](C)CCOc1cnccc1CNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000365626593 446279763 /nfs/dbraw/zinc/27/97/63/446279763.db2.gz XSJNRJLKDJXJHV-IRXDYDNUSA-N 2 1 346.475 1.513 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000365694715 446304398 /nfs/dbraw/zinc/30/43/98/446304398.db2.gz FPNQMNWHYUDALT-ZWKOTPCHSA-N 2 1 346.475 1.131 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000365694715 446304403 /nfs/dbraw/zinc/30/44/03/446304403.db2.gz FPNQMNWHYUDALT-ZWKOTPCHSA-N 2 1 346.475 1.131 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000365694715 446304405 /nfs/dbraw/zinc/30/44/05/446304405.db2.gz FPNQMNWHYUDALT-ZWKOTPCHSA-N 2 1 346.475 1.131 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000365694715 446304407 /nfs/dbraw/zinc/30/44/07/446304407.db2.gz FPNQMNWHYUDALT-ZWKOTPCHSA-N 2 1 346.475 1.131 20 0 EDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(NC(=O)C2CCOCC2)CC1 ZINC000370494979 446304627 /nfs/dbraw/zinc/30/46/27/446304627.db2.gz NPKWGYHFFFYSGK-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000417337862 446346877 /nfs/dbraw/zinc/34/68/77/446346877.db2.gz JLOGRGIDEFYEEW-HFTRVMKXSA-N 2 1 330.476 1.860 20 0 EDADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)N2CCOCC2)cc1 ZINC000359597566 446311316 /nfs/dbraw/zinc/31/13/16/446311316.db2.gz ZSMHRGDXDSJALQ-DBVUQKKJSA-N 2 1 347.503 1.998 20 0 EDADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000362319348 446317867 /nfs/dbraw/zinc/31/78/67/446317867.db2.gz PIMUJZIXIUREJJ-GVDBMIGSSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)C2(N3CCN(C)CC3)CCCC2)CC[N@@H+]1C ZINC000365772426 446336513 /nfs/dbraw/zinc/33/65/13/446336513.db2.gz QWXXDKCHOPVOSM-SJORKVTESA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)C2(N3CCN(C)CC3)CCCC2)CC[N@H+]1C ZINC000365772426 446336517 /nfs/dbraw/zinc/33/65/17/446336517.db2.gz QWXXDKCHOPVOSM-SJORKVTESA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000370577469 446338944 /nfs/dbraw/zinc/33/89/44/446338944.db2.gz HCYPFTKCVSZDPF-PMPSAXMXSA-N 2 1 335.448 1.488 20 0 EDADMP C[NH+](C)C[C@H]1CN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC000365783304 446341844 /nfs/dbraw/zinc/34/18/44/446341844.db2.gz YTNRBBYVJRAMEH-LSDHHAIUSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1ccccc1 ZINC000417490039 446355288 /nfs/dbraw/zinc/35/52/88/446355288.db2.gz GKNCKUWFSJCYMT-SZMVWBNQSA-N 2 1 348.491 1.827 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000417516594 446360781 /nfs/dbraw/zinc/36/07/81/446360781.db2.gz OBUFLGHXYJEEJI-ZWKOTPCHSA-N 2 1 348.491 1.747 20 0 EDADMP COC[C@@]1(CNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CCC[NH2+]1 ZINC000417528716 446361881 /nfs/dbraw/zinc/36/18/81/446361881.db2.gz FNHKOYBARDSHCT-UXLLHSPISA-N 2 1 326.485 1.317 20 0 EDADMP C[C@H](CNC(=O)NCCCN1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000417563105 446365640 /nfs/dbraw/zinc/36/56/40/446365640.db2.gz CWCWPWWTZOPLJO-QGZVFWFLSA-N 2 1 347.507 1.101 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000417670276 446369737 /nfs/dbraw/zinc/36/97/37/446369737.db2.gz NRXFXVXBKTUYKW-LUKYLMHMSA-N 2 1 340.512 1.563 20 0 EDADMP COCC[N@@H+](C)CCCN[C@@H]1CC[NH+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370669605 446380450 /nfs/dbraw/zinc/38/04/50/446380450.db2.gz NTRDDFRKZWUUPT-RCCFBDPRSA-N 2 1 327.513 1.434 20 0 EDADMP COCC[NH+](C)CCCN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370669605 446380453 /nfs/dbraw/zinc/38/04/53/446380453.db2.gz NTRDDFRKZWUUPT-RCCFBDPRSA-N 2 1 327.513 1.434 20 0 EDADMP COCC[NH+](C)CCCN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370669605 446380459 /nfs/dbraw/zinc/38/04/59/446380459.db2.gz NTRDDFRKZWUUPT-RCCFBDPRSA-N 2 1 327.513 1.434 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417898413 446380525 /nfs/dbraw/zinc/38/05/25/446380525.db2.gz RMBHEHHRWSEKOO-XIRDDKMYSA-N 2 1 334.464 1.312 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417898413 446380531 /nfs/dbraw/zinc/38/05/31/446380531.db2.gz RMBHEHHRWSEKOO-XIRDDKMYSA-N 2 1 334.464 1.312 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000370774501 446431513 /nfs/dbraw/zinc/43/15/13/446431513.db2.gz RRVRKDBCYWBARK-VVLHAWIVSA-N 2 1 333.501 1.828 20 0 EDADMP COCCCn1nccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000374890519 446438467 /nfs/dbraw/zinc/43/84/67/446438467.db2.gz BQIMHYNBKHJQLY-GOSISDBHSA-N 2 1 349.523 1.520 20 0 EDADMP COCCCn1nccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000374890519 446438473 /nfs/dbraw/zinc/43/84/73/446438473.db2.gz BQIMHYNBKHJQLY-GOSISDBHSA-N 2 1 349.523 1.520 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000418132198 446442077 /nfs/dbraw/zinc/44/20/77/446442077.db2.gz DRHKMRUYFAZKBA-ROUUACIJSA-N 2 1 330.476 1.948 20 0 EDADMP CC1CC[NH+](CC2CCN(C(=O)c3n[nH]c4c3C[NH2+]CC4)CC2)CC1 ZINC000376259205 446402803 /nfs/dbraw/zinc/40/28/03/446402803.db2.gz XUNUEBYBXSNRCC-UHFFFAOYSA-N 2 1 345.491 1.640 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417972694 446403907 /nfs/dbraw/zinc/40/39/07/446403907.db2.gz BUPLKIZNGNUGQJ-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000417986532 446408194 /nfs/dbraw/zinc/40/81/94/446408194.db2.gz QNYMOIUYSXIQQK-KBAYOESNSA-N 2 1 348.491 1.655 20 0 EDADMP C[C@@H]1[NH2+]CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@H]1C ZINC000418004679 446412514 /nfs/dbraw/zinc/41/25/14/446412514.db2.gz ZVJATXFGTODJHH-RLFYNMQTSA-N 2 1 346.475 1.145 20 0 EDADMP CN1CCO[C@@H](C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000452735399 446456013 /nfs/dbraw/zinc/45/60/13/446456013.db2.gz XFLQJIGFTUAWAA-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2C[NH+](C)CCO2)CCC1 ZINC000452735399 446456021 /nfs/dbraw/zinc/45/60/21/446456021.db2.gz XFLQJIGFTUAWAA-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2C[NH+](C)CCO2)CCC1 ZINC000452735399 446456027 /nfs/dbraw/zinc/45/60/27/446456027.db2.gz XFLQJIGFTUAWAA-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC000452735399 446456040 /nfs/dbraw/zinc/45/60/40/446456040.db2.gz XFLQJIGFTUAWAA-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000423260178 446467153 /nfs/dbraw/zinc/46/71/53/446467153.db2.gz GTTFZJASWQZRHB-MLGOLLRUSA-N 2 1 325.478 1.892 20 0 EDADMP CC(C)N1CC[NH+](CCCN(CC[NH3+])CCc2ccccc2)CC1 ZINC000420308287 446470266 /nfs/dbraw/zinc/47/02/66/446470266.db2.gz CWODCJIHZBXEMO-UHFFFAOYSA-N 2 1 332.536 1.906 20 0 EDADMP Cc1noc(CCCC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000370840485 446473456 /nfs/dbraw/zinc/47/34/56/446473456.db2.gz VWVJJPGKKKZMNZ-INIZCTEOSA-N 2 1 349.479 1.328 20 0 EDADMP Cc1noc(CCCC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000370840485 446473462 /nfs/dbraw/zinc/47/34/62/446473462.db2.gz VWVJJPGKKKZMNZ-INIZCTEOSA-N 2 1 349.479 1.328 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@H](C)C1 ZINC000370842248 446475501 /nfs/dbraw/zinc/47/55/01/446475501.db2.gz FUTDJLKHGGGPAV-TWMKSMIVSA-N 2 1 338.496 1.221 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@H](C)C1 ZINC000370842248 446475510 /nfs/dbraw/zinc/47/55/10/446475510.db2.gz FUTDJLKHGGGPAV-TWMKSMIVSA-N 2 1 338.496 1.221 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)[C@H](C)C1 ZINC000370842248 446475518 /nfs/dbraw/zinc/47/55/18/446475518.db2.gz FUTDJLKHGGGPAV-TWMKSMIVSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)[C@H]1C ZINC000420327965 446495403 /nfs/dbraw/zinc/49/54/03/446495403.db2.gz LXIOBVYYHYFCNJ-QZWWFDLISA-N 2 1 337.508 1.615 20 0 EDADMP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)[C@H]1C ZINC000420327965 446495412 /nfs/dbraw/zinc/49/54/12/446495412.db2.gz LXIOBVYYHYFCNJ-QZWWFDLISA-N 2 1 337.508 1.615 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000418331541 446502589 /nfs/dbraw/zinc/50/25/89/446502589.db2.gz DTXMYUBKBPMREZ-KRWDZBQOSA-N 2 1 330.476 1.904 20 0 EDADMP CC(C)[C@H](O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000432781079 446504175 /nfs/dbraw/zinc/50/41/75/446504175.db2.gz MPCIHOGEPBHRKK-SOLBZPMBSA-N 2 1 328.497 1.594 20 0 EDADMP CC(C)[C@H](O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000432781079 446504180 /nfs/dbraw/zinc/50/41/80/446504180.db2.gz MPCIHOGEPBHRKK-SOLBZPMBSA-N 2 1 328.497 1.594 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000420336881 446506313 /nfs/dbraw/zinc/50/63/13/446506313.db2.gz QJBJUQBPBYSOOR-QRQLOZEOSA-N 2 1 333.476 1.566 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423373011 446506640 /nfs/dbraw/zinc/50/66/40/446506640.db2.gz GSKPAYHCSOYMBC-DOTOQJQBSA-N 2 1 331.464 1.554 20 0 EDADMP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420337904 446507839 /nfs/dbraw/zinc/50/78/39/446507839.db2.gz XIYWVPBCVVELSX-LSDHHAIUSA-N 2 1 347.459 1.922 20 0 EDADMP CN(C(=O)NCCC[NH3+])[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000418349620 446508995 /nfs/dbraw/zinc/50/89/95/446508995.db2.gz KRXOZSNEHOMIBE-IRXDYDNUSA-N 2 1 339.528 1.314 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NC(=O)NC1CCCCC1 ZINC000420330228 446498932 /nfs/dbraw/zinc/49/89/32/446498932.db2.gz ALCOYJFMLLRMHZ-HUUCEWRRSA-N 2 1 336.480 1.466 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000376533266 446559122 /nfs/dbraw/zinc/55/91/22/446559122.db2.gz QCHKNOJWEVQKCA-SFHVURJKSA-N 2 1 336.524 1.347 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000376474263 446518192 /nfs/dbraw/zinc/51/81/92/446518192.db2.gz WMMFHNKXDYMYJN-GOSISDBHSA-N 2 1 334.508 1.099 20 0 EDADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1F ZINC000420347295 446522199 /nfs/dbraw/zinc/52/21/99/446522199.db2.gz GJSGLXRIZFNMPZ-GOEBONIOSA-N 2 1 334.439 1.441 20 0 EDADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1F ZINC000420347295 446522204 /nfs/dbraw/zinc/52/22/04/446522204.db2.gz GJSGLXRIZFNMPZ-GOEBONIOSA-N 2 1 334.439 1.441 20 0 EDADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348642 446524970 /nfs/dbraw/zinc/52/49/70/446524970.db2.gz MJDDSUKVVMNEBG-GOEBONIOSA-N 2 1 327.432 1.777 20 0 EDADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348642 446524976 /nfs/dbraw/zinc/52/49/76/446524976.db2.gz MJDDSUKVVMNEBG-GOEBONIOSA-N 2 1 327.432 1.777 20 0 EDADMP c1ccc(-c2noc(CCC[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420348856 446526074 /nfs/dbraw/zinc/52/60/74/446526074.db2.gz NAACGXFEBCCUFS-QGZVFWFLSA-N 2 1 341.459 1.649 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC[N@H+]1CCOC ZINC000418429298 446540829 /nfs/dbraw/zinc/54/08/29/446540829.db2.gz QHDZAMFBBRIGCG-ZACQAIPSSA-N 2 1 340.512 1.646 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H](C[NH3+])C(C)C)cc2)CC1 ZINC000433163565 446541625 /nfs/dbraw/zinc/54/16/25/446541625.db2.gz YFNDXSVDEOUHGI-LJQANCHMSA-N 2 1 346.519 1.671 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418448629 446545155 /nfs/dbraw/zinc/54/51/55/446545155.db2.gz JHYNNSDGWIAESK-GOSISDBHSA-N 3 1 347.507 1.354 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418448629 446545158 /nfs/dbraw/zinc/54/51/58/446545158.db2.gz JHYNNSDGWIAESK-GOSISDBHSA-N 3 1 347.507 1.354 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000418452147 446547362 /nfs/dbraw/zinc/54/73/62/446547362.db2.gz XBEAJPVMJKKFRG-JKSUJKDBSA-N 2 1 328.501 1.646 20 0 EDADMP COCCOC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000453254492 446552296 /nfs/dbraw/zinc/55/22/96/446552296.db2.gz AFLCBUDJLAIKIQ-ZACQAIPSSA-N 2 1 326.481 1.661 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000418608214 446614219 /nfs/dbraw/zinc/61/42/19/446614219.db2.gz RKUWTTCGQQSHQU-GDAAHCPNSA-N 2 1 342.487 1.900 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000418608215 446614956 /nfs/dbraw/zinc/61/49/56/446614956.db2.gz RKUWTTCGQQSHQU-KANFNMMFSA-N 2 1 342.487 1.900 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418613428 446615706 /nfs/dbraw/zinc/61/57/06/446615706.db2.gz FNBUCYHACXYCNY-HNNXBMFYSA-N 2 1 326.485 1.256 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418613428 446615710 /nfs/dbraw/zinc/61/57/10/446615710.db2.gz FNBUCYHACXYCNY-HNNXBMFYSA-N 2 1 326.485 1.256 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376631532 446616386 /nfs/dbraw/zinc/61/63/86/446616386.db2.gz GIVJEKLMERWAPU-XYPWUTKMSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376631532 446616395 /nfs/dbraw/zinc/61/63/95/446616395.db2.gz GIVJEKLMERWAPU-XYPWUTKMSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376631532 446616402 /nfs/dbraw/zinc/61/64/02/446616402.db2.gz GIVJEKLMERWAPU-XYPWUTKMSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H]1C[C@@H](CNC(=O)N2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000371007542 446569768 /nfs/dbraw/zinc/56/97/68/446569768.db2.gz VMMLBBZNKCLRAE-WMZOPIPTSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H]1C[C@@H](CNC(=O)N2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000371007542 446569775 /nfs/dbraw/zinc/56/97/75/446569775.db2.gz VMMLBBZNKCLRAE-WMZOPIPTSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000367648656 446570437 /nfs/dbraw/zinc/57/04/37/446570437.db2.gz KRBFBPODUDGKEH-QRQLOZEOSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420400915 446573155 /nfs/dbraw/zinc/57/31/55/446573155.db2.gz IVGQLQYEJDAUNC-KCYZZUKISA-N 2 1 331.460 1.932 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420400915 446573161 /nfs/dbraw/zinc/57/31/61/446573161.db2.gz IVGQLQYEJDAUNC-KCYZZUKISA-N 2 1 331.460 1.932 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC000433465746 446579217 /nfs/dbraw/zinc/57/92/17/446579217.db2.gz ISVQNONPTOKXSR-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC000433465746 446579223 /nfs/dbraw/zinc/57/92/23/446579223.db2.gz ISVQNONPTOKXSR-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC000433465746 446579233 /nfs/dbraw/zinc/57/92/33/446579233.db2.gz ISVQNONPTOKXSR-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418522547 446580236 /nfs/dbraw/zinc/58/02/36/446580236.db2.gz JKVXJEQWKRFRPJ-NXHRZFHOSA-N 2 1 330.476 1.887 20 0 EDADMP C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000418529249 446581565 /nfs/dbraw/zinc/58/15/65/446581565.db2.gz SYMOGHXICUUSAF-DJIMGWMZSA-N 2 1 339.528 1.312 20 0 EDADMP CN(C(=O)NCC1=CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418535333 446583771 /nfs/dbraw/zinc/58/37/71/446583771.db2.gz DAAGUHVPFXQOJU-GOSISDBHSA-N 2 1 328.460 1.822 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418547569 446589284 /nfs/dbraw/zinc/58/92/84/446589284.db2.gz JFMHEURDPZKOGZ-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1CCOC ZINC000418575367 446600440 /nfs/dbraw/zinc/60/04/40/446600440.db2.gz WNSZXHACXRFIGW-HRCADAONSA-N 2 1 326.485 1.399 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418596276 446608265 /nfs/dbraw/zinc/60/82/65/446608265.db2.gz YJMGOCZJJCVYAR-APWZRJJASA-N 2 1 348.491 1.263 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H]2CCC[NH+](C)[C@H]2C)C[C@H](C)O1 ZINC000434365941 446641502 /nfs/dbraw/zinc/64/15/02/446641502.db2.gz BFLYCCJJMQJBOH-FZKCQIBNSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H]2CCC[NH+](C)[C@H]2C)C[C@H](C)O1 ZINC000434365941 446641509 /nfs/dbraw/zinc/64/15/09/446641509.db2.gz BFLYCCJJMQJBOH-FZKCQIBNSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)C[C@H](C)O1 ZINC000434365941 446641516 /nfs/dbraw/zinc/64/15/16/446641516.db2.gz BFLYCCJJMQJBOH-FZKCQIBNSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)C[C@H](C)O1 ZINC000434365941 446641525 /nfs/dbraw/zinc/64/15/25/446641525.db2.gz BFLYCCJJMQJBOH-FZKCQIBNSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)C[C@H](C)O1 ZINC000434365944 446643075 /nfs/dbraw/zinc/64/30/75/446643075.db2.gz BFLYCCJJMQJBOH-XUWVNRHRSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)C[C@H](C)O1 ZINC000434365944 446643082 /nfs/dbraw/zinc/64/30/82/446643082.db2.gz BFLYCCJJMQJBOH-XUWVNRHRSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C[C@H](C)O1 ZINC000434365944 446643091 /nfs/dbraw/zinc/64/30/91/446643091.db2.gz BFLYCCJJMQJBOH-XUWVNRHRSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@H](C)O1 ZINC000434365944 446643095 /nfs/dbraw/zinc/64/30/95/446643095.db2.gz BFLYCCJJMQJBOH-XUWVNRHRSA-N 2 1 326.485 1.220 20 0 EDADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC[NH+]2CCC1CC2 ZINC000375211764 446645775 /nfs/dbraw/zinc/64/57/75/446645775.db2.gz QUTZBJKWCXVFHA-IAGOWNOFSA-N 2 1 336.480 1.119 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)cc1 ZINC000423733324 446668315 /nfs/dbraw/zinc/66/83/15/446668315.db2.gz PPLVSXSVJUAGPS-SFHVURJKSA-N 2 1 331.460 1.857 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)cc1 ZINC000423733324 446668322 /nfs/dbraw/zinc/66/83/22/446668322.db2.gz PPLVSXSVJUAGPS-SFHVURJKSA-N 2 1 331.460 1.857 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000418628296 446621515 /nfs/dbraw/zinc/62/15/15/446621515.db2.gz CKMATNOFAFQBCE-MAUKXSAKSA-N 2 1 330.476 1.857 20 0 EDADMP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000418633464 446625266 /nfs/dbraw/zinc/62/52/66/446625266.db2.gz IGTCKSAULRIUCR-WMZOPIPTSA-N 2 1 328.460 1.753 20 0 EDADMP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000418633457 446625751 /nfs/dbraw/zinc/62/57/51/446625751.db2.gz IGTCKSAULRIUCR-AEFFLSMTSA-N 2 1 328.460 1.753 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418638002 446627853 /nfs/dbraw/zinc/62/78/53/446627853.db2.gz KKVBEMVNZUANIQ-CABCVRRESA-N 2 1 340.512 1.251 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CN1CCOCC1 ZINC000376652426 446629583 /nfs/dbraw/zinc/62/95/83/446629583.db2.gz QFIBSGOUQOPTFG-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000376652426 446629588 /nfs/dbraw/zinc/62/95/88/446629588.db2.gz QFIBSGOUQOPTFG-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP CCC1CCC([N@@H+](CCO)CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000411633842 446629876 /nfs/dbraw/zinc/62/98/76/446629876.db2.gz OKHCATMDNVHEIK-UHFFFAOYSA-N 2 1 339.524 1.850 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC[N@H+]1CCOC ZINC000418775079 446692059 /nfs/dbraw/zinc/69/20/59/446692059.db2.gz VXQNGEDNGXNWEX-OWCLPIDISA-N 2 1 326.485 1.256 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000423765506 446692735 /nfs/dbraw/zinc/69/27/35/446692735.db2.gz XIFCBVFMBSIYRW-KRWDZBQOSA-N 2 1 347.507 1.717 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000423765506 446692741 /nfs/dbraw/zinc/69/27/41/446692741.db2.gz XIFCBVFMBSIYRW-KRWDZBQOSA-N 2 1 347.507 1.717 20 0 EDADMP C[C@@H](CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000423766504 446695039 /nfs/dbraw/zinc/69/50/39/446695039.db2.gz WAOAMRNLVKRXFN-NXOAAHMSSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@@H](CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000423766504 446695043 /nfs/dbraw/zinc/69/50/43/446695043.db2.gz WAOAMRNLVKRXFN-NXOAAHMSSA-N 2 1 325.497 1.580 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@]1([NH+](C)C)CCc2ccccc21 ZINC000376771333 446709532 /nfs/dbraw/zinc/70/95/32/446709532.db2.gz GOOUWXZCFALRTJ-IBGZPJMESA-N 2 1 333.476 1.474 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)C[C@H](C[NH3+])OC)CC[N@H+]2C2CC2)c1 ZINC000423828055 446718055 /nfs/dbraw/zinc/71/80/55/446718055.db2.gz NVXQVTMSGIYUTP-ZIFCJYIRSA-N 2 1 347.459 1.453 20 0 EDADMP CO[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000423832658 446721265 /nfs/dbraw/zinc/72/12/65/446721265.db2.gz SEIIGZINYUZMRO-OAGGEKHMSA-N 2 1 341.402 1.579 20 0 EDADMP CO[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000423832658 446721271 /nfs/dbraw/zinc/72/12/71/446721271.db2.gz SEIIGZINYUZMRO-OAGGEKHMSA-N 2 1 341.402 1.579 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371282342 446740794 /nfs/dbraw/zinc/74/07/94/446740794.db2.gz AIHDNWVXZNIJBW-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371282342 446740799 /nfs/dbraw/zinc/74/07/99/446740799.db2.gz AIHDNWVXZNIJBW-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3C[NH2+]CCO3)CC[N@H+]2C2CC2)c1 ZINC000423833972 446723392 /nfs/dbraw/zinc/72/33/92/446723392.db2.gz TXWIBUVWWIHMOZ-OKZBNKHCSA-N 2 1 345.443 1.078 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)cn1 ZINC000423749895 446679479 /nfs/dbraw/zinc/67/94/79/446679479.db2.gz CTNNPSFJOLDEGW-ROUUACIJSA-N 2 1 347.507 1.845 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)cn1 ZINC000423749895 446679483 /nfs/dbraw/zinc/67/94/83/446679483.db2.gz CTNNPSFJOLDEGW-ROUUACIJSA-N 2 1 347.507 1.845 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000418765973 446684428 /nfs/dbraw/zinc/68/44/28/446684428.db2.gz KHAFIUMRXOAEAZ-IKGGRYGDSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H]1C[C@H](CCNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000423901527 446752891 /nfs/dbraw/zinc/75/28/91/446752891.db2.gz KTBNTUMVMCZNDA-NBMJBFSESA-N 2 1 345.487 1.780 20 0 EDADMP C[C@H]1C[C@H](CCNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000423901527 446752898 /nfs/dbraw/zinc/75/28/98/446752898.db2.gz KTBNTUMVMCZNDA-NBMJBFSESA-N 2 1 345.487 1.780 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000418872144 446764113 /nfs/dbraw/zinc/76/41/13/446764113.db2.gz WGIHRJJABVUNNQ-CABCVRRESA-N 2 1 340.512 1.103 20 0 EDADMP CCC[NH+]1CCN(C2CC[NH+](Cc3c(C)nn(C)c3OC)CC2)CC1 ZINC000371326227 446776647 /nfs/dbraw/zinc/77/66/47/446776647.db2.gz IDDFCAYNRJVYFO-UHFFFAOYSA-N 2 1 349.523 1.729 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCC[N@H+]1C ZINC000412254838 446912529 /nfs/dbraw/zinc/91/25/29/446912529.db2.gz YRHKHUIUCDRNPO-VNQPRFMTSA-N 2 1 325.522 1.803 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000377102312 446921883 /nfs/dbraw/zinc/92/18/83/446921883.db2.gz JDMPEAKNRUZQFP-KRWDZBQOSA-N 2 1 337.439 1.613 20 0 EDADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000442796907 446970719 /nfs/dbraw/zinc/97/07/19/446970719.db2.gz WLJNTOLBEBLPDG-IAGOWNOFSA-N 2 1 333.476 1.810 20 0 EDADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000442796907 446970724 /nfs/dbraw/zinc/97/07/24/446970724.db2.gz WLJNTOLBEBLPDG-IAGOWNOFSA-N 2 1 333.476 1.810 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1OC ZINC000442751597 446951303 /nfs/dbraw/zinc/95/13/03/446951303.db2.gz CILHPXCFPTYBKV-ZIAGYGMSSA-N 2 1 335.448 1.331 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1OC ZINC000442751597 446951310 /nfs/dbraw/zinc/95/13/10/446951310.db2.gz CILHPXCFPTYBKV-ZIAGYGMSSA-N 2 1 335.448 1.331 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000442766281 446957921 /nfs/dbraw/zinc/95/79/21/446957921.db2.gz NXBIGOCJROVCLO-UONOGXRCSA-N 2 1 326.444 1.722 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000442766281 446957926 /nfs/dbraw/zinc/95/79/26/446957926.db2.gz NXBIGOCJROVCLO-UONOGXRCSA-N 2 1 326.444 1.722 20 0 EDADMP C[C@@]1(O)CCC[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000375679059 446970368 /nfs/dbraw/zinc/97/03/68/446970368.db2.gz NNYIIQNFPOMXTN-GOSISDBHSA-N 2 1 335.448 1.161 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419214060 447014920 /nfs/dbraw/zinc/01/49/20/447014920.db2.gz MDWGCDJTRCQJQE-KRWDZBQOSA-N 2 1 346.475 1.093 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419232810 447021170 /nfs/dbraw/zinc/02/11/70/447021170.db2.gz VFQDYXUIVUOVQZ-OAHLLOKOSA-N 2 1 338.496 1.001 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000424996275 446986505 /nfs/dbraw/zinc/98/65/05/446986505.db2.gz CZYPCEKGOGLEQE-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443061175 447002633 /nfs/dbraw/zinc/00/26/33/447002633.db2.gz RBHDJFBBRIETJR-KGLIPLIRSA-N 2 1 332.448 1.434 20 0 EDADMP O=C1NCCN1CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377332112 447071532 /nfs/dbraw/zinc/07/15/32/447071532.db2.gz WXBYVIVFQLSJSM-ZWKOTPCHSA-N 2 1 328.460 1.466 20 0 EDADMP O=C1NCCN1CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377332112 447071540 /nfs/dbraw/zinc/07/15/40/447071540.db2.gz WXBYVIVFQLSJSM-ZWKOTPCHSA-N 2 1 328.460 1.466 20 0 EDADMP O=C1NCCN1CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377332112 447071548 /nfs/dbraw/zinc/07/15/48/447071548.db2.gz WXBYVIVFQLSJSM-ZWKOTPCHSA-N 2 1 328.460 1.466 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cnc(N(C)C)n3C)CC2)C[C@H](C)O1 ZINC000425322642 447115760 /nfs/dbraw/zinc/11/57/60/447115760.db2.gz HUCAPGIAIITOLW-IYBDPMFKSA-N 2 1 349.523 1.807 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000419327332 447094510 /nfs/dbraw/zinc/09/45/10/447094510.db2.gz ZLYCVEOTYRZKSD-DVOMOZLQSA-N 2 1 344.459 1.064 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)n1 ZINC000444908640 447147927 /nfs/dbraw/zinc/14/79/27/447147927.db2.gz YNEQZUDKWOQDTF-UHFFFAOYSA-N 2 1 336.484 1.688 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000419414085 447160120 /nfs/dbraw/zinc/16/01/20/447160120.db2.gz SPLQVUMNJJULQE-HUUCEWRRSA-N 2 1 338.496 1.001 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000372639339 447202558 /nfs/dbraw/zinc/20/25/58/447202558.db2.gz JQDHGVBIXCLSDA-KRWDZBQOSA-N 2 1 333.480 1.583 20 0 EDADMP CCC[N@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000368930712 447208870 /nfs/dbraw/zinc/20/88/70/447208870.db2.gz GEVJRBMWCOGUEK-IBGZPJMESA-N 2 1 346.519 1.823 20 0 EDADMP Cc1nc2ccccc2n1CC(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000368953045 447220721 /nfs/dbraw/zinc/22/07/21/447220721.db2.gz ZNWPJUYKQFYLNN-AWEZNQCLSA-N 2 1 330.432 1.260 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000421702307 447224281 /nfs/dbraw/zinc/22/42/81/447224281.db2.gz JUOFQRKVAJHOCK-OALUTQOASA-N 2 1 344.503 1.528 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000421702307 447224285 /nfs/dbraw/zinc/22/42/85/447224285.db2.gz JUOFQRKVAJHOCK-OALUTQOASA-N 2 1 344.503 1.528 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(-n2ccnc2)nc1 ZINC000376046085 447231567 /nfs/dbraw/zinc/23/15/67/447231567.db2.gz YJFWBYKNTRQHLO-MRXNPFEDSA-N 2 1 341.459 1.952 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)COC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379660738 447452924 /nfs/dbraw/zinc/45/29/24/447452924.db2.gz CWMOKTPZFHYZGK-AEFFLSMTSA-N 2 1 345.487 1.924 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)CCC[NH+](C)CCN(C)C ZINC000494840612 447461462 /nfs/dbraw/zinc/46/14/62/447461462.db2.gz RWOFWPUEBYMARY-QGZVFWFLSA-N 2 1 326.529 1.593 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000494840612 447461464 /nfs/dbraw/zinc/46/14/64/447461464.db2.gz RWOFWPUEBYMARY-QGZVFWFLSA-N 2 1 326.529 1.593 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000494840612 447461468 /nfs/dbraw/zinc/46/14/68/447461468.db2.gz RWOFWPUEBYMARY-QGZVFWFLSA-N 2 1 326.529 1.593 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000494840612 447461470 /nfs/dbraw/zinc/46/14/70/447461470.db2.gz RWOFWPUEBYMARY-QGZVFWFLSA-N 2 1 326.529 1.593 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000494840612 447461474 /nfs/dbraw/zinc/46/14/74/447461474.db2.gz RWOFWPUEBYMARY-QGZVFWFLSA-N 2 1 326.529 1.593 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC(=O)N(C)CCC[NH+](C)CCN(C)C ZINC000494840611 447461482 /nfs/dbraw/zinc/46/14/82/447461482.db2.gz RWOFWPUEBYMARY-KRWDZBQOSA-N 2 1 326.529 1.593 20 0 EDADMP C[C@H]1CCCC[NH+]1CCC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000494840611 447461484 /nfs/dbraw/zinc/46/14/84/447461484.db2.gz RWOFWPUEBYMARY-KRWDZBQOSA-N 2 1 326.529 1.593 20 0 EDADMP C[C@H]1CCCC[NH+]1CCC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000494840611 447461487 /nfs/dbraw/zinc/46/14/87/447461487.db2.gz RWOFWPUEBYMARY-KRWDZBQOSA-N 2 1 326.529 1.593 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000494840611 447461490 /nfs/dbraw/zinc/46/14/90/447461490.db2.gz RWOFWPUEBYMARY-KRWDZBQOSA-N 2 1 326.529 1.593 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000494840611 447461494 /nfs/dbraw/zinc/46/14/94/447461494.db2.gz RWOFWPUEBYMARY-KRWDZBQOSA-N 2 1 326.529 1.593 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH3+])ccc1Cl ZINC000415472402 447465035 /nfs/dbraw/zinc/46/50/35/447465035.db2.gz WRQULJANXZDFFE-ZDUSSCGKSA-N 2 1 338.839 1.290 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000389931408 447488250 /nfs/dbraw/zinc/48/82/50/447488250.db2.gz LEAIMYLHOZEOBK-CRAIPNDOSA-N 2 1 331.460 1.392 20 0 EDADMP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CSC[NH2+]1 ZINC000390955437 447508203 /nfs/dbraw/zinc/50/82/03/447508203.db2.gz YMVJNLUKUKXQNZ-HZPDHXFCSA-N 2 1 335.473 1.056 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CSC[NH2+]1 ZINC000390955437 447508206 /nfs/dbraw/zinc/50/82/06/447508206.db2.gz YMVJNLUKUKXQNZ-HZPDHXFCSA-N 2 1 335.473 1.056 20 0 EDADMP COc1ccc(-c2noc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)n2)nn1 ZINC000450503489 447509694 /nfs/dbraw/zinc/50/96/94/447509694.db2.gz RUDAKBIIJJPBDW-GXTWGEPZSA-N 2 1 344.419 1.451 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1 ZINC000457111366 447521323 /nfs/dbraw/zinc/52/13/23/447521323.db2.gz FGSLILXQONJPSC-MRXNPFEDSA-N 2 1 333.476 1.667 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1 ZINC000457111366 447521329 /nfs/dbraw/zinc/52/13/29/447521329.db2.gz FGSLILXQONJPSC-MRXNPFEDSA-N 2 1 333.476 1.667 20 0 EDADMP C[C@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000450640782 447546214 /nfs/dbraw/zinc/54/62/14/447546214.db2.gz GYXFBBGFSXMNAN-DFQSSKMNSA-N 2 1 331.504 1.548 20 0 EDADMP O[C@H]1C[NH+](Cc2cc(C[N@H+]3C[C@H](O)C4(CC4)C3)ccc2F)CC12CC2 ZINC000450756247 447566932 /nfs/dbraw/zinc/56/69/32/447566932.db2.gz GFSOXXFIQVEOOH-ROUUACIJSA-N 2 1 346.446 1.739 20 0 EDADMP O[C@H]1C[NH+](Cc2cc(C[N@@H+]3C[C@H](O)C4(CC4)C3)ccc2F)CC12CC2 ZINC000450756247 447566940 /nfs/dbraw/zinc/56/69/40/447566940.db2.gz GFSOXXFIQVEOOH-ROUUACIJSA-N 2 1 346.446 1.739 20 0 EDADMP O[C@H]1C[NH+](Cc2ccc(F)c(C[N@@H+]3C[C@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000450756247 447566945 /nfs/dbraw/zinc/56/69/45/447566945.db2.gz GFSOXXFIQVEOOH-ROUUACIJSA-N 2 1 346.446 1.739 20 0 EDADMP O[C@H]1C[NH+](Cc2ccc(F)c(C[N@H+]3C[C@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000450756247 447566952 /nfs/dbraw/zinc/56/69/52/447566952.db2.gz GFSOXXFIQVEOOH-ROUUACIJSA-N 2 1 346.446 1.739 20 0 EDADMP COC(=O)[C@@H]([N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)C1(OC)CCC1 ZINC000459338259 447638788 /nfs/dbraw/zinc/63/87/88/447638788.db2.gz RPOQNIVNIGTETK-GDBMZVCRSA-N 2 1 342.480 1.122 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@@H](C)O1 ZINC000459163408 447602053 /nfs/dbraw/zinc/60/20/53/447602053.db2.gz LABVKXVQYHFRPU-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459243908 447620770 /nfs/dbraw/zinc/62/07/70/447620770.db2.gz AIPGPPSLANAPPI-QGZVFWFLSA-N 2 1 347.507 1.887 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000416828816 447693071 /nfs/dbraw/zinc/69/30/71/447693071.db2.gz FBPFNXULNHRATB-FMKPAKJESA-N 2 1 334.464 1.725 20 0 EDADMP COC[C@]1(CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000416875549 447700778 /nfs/dbraw/zinc/70/07/78/447700778.db2.gz RDWQPMDUXWDZLX-LJQANCHMSA-N 2 1 348.491 1.576 20 0 EDADMP [NH3+]C[C@@H]1CCCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000428518846 447706146 /nfs/dbraw/zinc/70/61/46/447706146.db2.gz OSPKKWFBEVHFPD-ZWKOTPCHSA-N 2 1 331.460 1.475 20 0 EDADMP [NH3+]C[C@@H]1CCCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000428518846 447706153 /nfs/dbraw/zinc/70/61/53/447706153.db2.gz OSPKKWFBEVHFPD-ZWKOTPCHSA-N 2 1 331.460 1.475 20 0 EDADMP O=C(C1CCC1)N1CCN(CC[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459421443 447660410 /nfs/dbraw/zinc/66/04/10/447660410.db2.gz ZEBGKNOTAAISJG-UHFFFAOYSA-N 2 1 334.508 1.147 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000420230518 447679472 /nfs/dbraw/zinc/67/94/72/447679472.db2.gz IUCVWLGLDTYFOU-IVSAIRAKSA-N 2 1 333.480 2.266 20 0 EDADMP CC(C)C[C@H](CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000416941916 447718355 /nfs/dbraw/zinc/71/83/55/447718355.db2.gz QWUPJHJURPNGET-IXDOHACOSA-N 2 1 340.512 1.550 20 0 EDADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422771369 447746060 /nfs/dbraw/zinc/74/60/60/447746060.db2.gz YAIPSYQERUUBEE-CABCVRRESA-N 2 1 345.896 1.868 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000430540158 447775107 /nfs/dbraw/zinc/77/51/07/447775107.db2.gz GLYJRGJZVUFGLD-IBGZPJMESA-N 2 1 344.503 1.323 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H]1C ZINC000430795740 447786165 /nfs/dbraw/zinc/78/61/65/447786165.db2.gz HUVKRABTWAIHAE-HIFRSBDPSA-N 2 1 334.468 1.147 20 0 EDADMP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1S(N)(=O)=O ZINC000423018047 447791691 /nfs/dbraw/zinc/79/16/91/447791691.db2.gz PZBWWBREWHLJDE-OCCSQVGLSA-N 2 1 341.477 1.005 20 0 EDADMP COc1ccc([C@H](NC[C@@H]2C[N@@H+](C3CC3)CCO2)[C@H]2CCC[NH2+]2)cc1 ZINC000423035053 447795185 /nfs/dbraw/zinc/79/51/85/447795185.db2.gz YKLAVVLDQXKAQT-AQNXPRMDSA-N 2 1 345.487 1.941 20 0 EDADMP COc1ccc([C@H](NC[C@@H]2C[N@H+](C3CC3)CCO2)[C@H]2CCC[NH2+]2)cc1 ZINC000423035053 447795189 /nfs/dbraw/zinc/79/51/89/447795189.db2.gz YKLAVVLDQXKAQT-AQNXPRMDSA-N 2 1 345.487 1.941 20 0 EDADMP C[C@@H](NC(=O)NCCOCC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000471646230 447806303 /nfs/dbraw/zinc/80/63/03/447806303.db2.gz KTMKCGTVUNAKNT-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000423111902 447807490 /nfs/dbraw/zinc/80/74/90/447807490.db2.gz RGCMYVNADSUOMV-RHYQMDGZSA-N 2 1 325.482 1.794 20 0 EDADMP CNC(=O)COc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423111884 447807789 /nfs/dbraw/zinc/80/77/89/447807789.db2.gz REKMHARKPIETHT-BEFAXECRSA-N 2 1 341.455 1.860 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000471656618 447808724 /nfs/dbraw/zinc/80/87/24/447808724.db2.gz TURDRKOWEVPIRA-QGZVFWFLSA-N 2 1 334.464 1.263 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000471656618 447808728 /nfs/dbraw/zinc/80/87/28/447808728.db2.gz TURDRKOWEVPIRA-QGZVFWFLSA-N 2 1 334.464 1.263 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000487962294 447839453 /nfs/dbraw/zinc/83/94/53/447839453.db2.gz YAHJVRBAYLFVNX-WNHJNPCNSA-N 2 1 345.487 1.762 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000487962294 447839455 /nfs/dbraw/zinc/83/94/55/447839455.db2.gz YAHJVRBAYLFVNX-WNHJNPCNSA-N 2 1 345.487 1.762 20 0 EDADMP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000487962294 447839456 /nfs/dbraw/zinc/83/94/56/447839456.db2.gz YAHJVRBAYLFVNX-WNHJNPCNSA-N 2 1 345.487 1.762 20 0 EDADMP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000487962294 447839458 /nfs/dbraw/zinc/83/94/58/447839458.db2.gz YAHJVRBAYLFVNX-WNHJNPCNSA-N 2 1 345.487 1.762 20 0 EDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496663969 447844022 /nfs/dbraw/zinc/84/40/22/447844022.db2.gz YBIWNVWURWFVBI-PBHICJAKSA-N 2 1 329.485 1.536 20 0 EDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496663969 447844024 /nfs/dbraw/zinc/84/40/24/447844024.db2.gz YBIWNVWURWFVBI-PBHICJAKSA-N 2 1 329.485 1.536 20 0 EDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496663969 447844025 /nfs/dbraw/zinc/84/40/25/447844025.db2.gz YBIWNVWURWFVBI-PBHICJAKSA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000575812507 447904293 /nfs/dbraw/zinc/90/42/93/447904293.db2.gz MBAOSHMITNPVIG-RBUKOAKNSA-N 2 1 349.519 1.963 20 0 EDADMP C[C@@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000575985956 447944187 /nfs/dbraw/zinc/94/41/87/447944187.db2.gz HWVGTVUEAHFJQH-YJBOKZPZSA-N 2 1 346.475 1.222 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)C[C@H](C)O)CC1 ZINC000524970888 447962668 /nfs/dbraw/zinc/96/26/68/447962668.db2.gz CWCUTLAHBRMKQB-KRWDZBQOSA-N 2 1 347.503 1.858 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H](C)O)CC1 ZINC000524970888 447962673 /nfs/dbraw/zinc/96/26/73/447962673.db2.gz CWCUTLAHBRMKQB-KRWDZBQOSA-N 2 1 347.503 1.858 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000530581067 447920834 /nfs/dbraw/zinc/92/08/34/447920834.db2.gz KVQZTTPJKTYQEW-HKUYNNGSSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000530581067 447920837 /nfs/dbraw/zinc/92/08/37/447920837.db2.gz KVQZTTPJKTYQEW-HKUYNNGSSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000530581067 447920844 /nfs/dbraw/zinc/92/08/44/447920844.db2.gz KVQZTTPJKTYQEW-HKUYNNGSSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000530581067 447920848 /nfs/dbraw/zinc/92/08/48/447920848.db2.gz KVQZTTPJKTYQEW-HKUYNNGSSA-N 2 1 345.487 1.736 20 0 EDADMP CCOC(=O)C1CCN(C(=O)CN2CC[C@@H](c3nccn3C)C2)CC1 ZINC000575878407 447920965 /nfs/dbraw/zinc/92/09/65/447920965.db2.gz KGIVAHUSQYTHMI-OAHLLOKOSA-N 2 1 348.447 1.011 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000575920639 447927887 /nfs/dbraw/zinc/92/78/87/447927887.db2.gz FXVSDYHZSBWCCO-CQSZACIVSA-N 2 1 334.464 1.132 20 0 EDADMP c1ccc(Cn2nnnc2C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000576108525 447975091 /nfs/dbraw/zinc/97/50/91/447975091.db2.gz AZTFBMGHXPNMAE-IAGOWNOFSA-N 2 1 326.448 1.543 20 0 EDADMP c1ccc(Cn2nnnc2C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000576108525 447975095 /nfs/dbraw/zinc/97/50/95/447975095.db2.gz AZTFBMGHXPNMAE-IAGOWNOFSA-N 2 1 326.448 1.543 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000525437874 447999901 /nfs/dbraw/zinc/99/99/01/447999901.db2.gz DZLHIBBQCOCRBD-KRWDZBQOSA-N 3 1 341.544 1.386 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)C[NH+]1CCC2CC1 ZINC000496885720 448001527 /nfs/dbraw/zinc/00/15/27/448001527.db2.gz RRSMAAZDOVKKPD-VXIBKDFQSA-N 2 1 349.475 1.486 20 0 EDADMP C[C@H]1C[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1C ZINC000491447352 448030909 /nfs/dbraw/zinc/03/09/09/448030909.db2.gz OIPZEBMOGARSOJ-UONOGXRCSA-N 2 1 334.468 1.754 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000531298319 448058125 /nfs/dbraw/zinc/05/81/25/448058125.db2.gz JOWGMQLHGXHSMK-POAQFYNOSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000531298319 448058130 /nfs/dbraw/zinc/05/81/30/448058130.db2.gz JOWGMQLHGXHSMK-POAQFYNOSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000531298319 448058137 /nfs/dbraw/zinc/05/81/37/448058137.db2.gz JOWGMQLHGXHSMK-POAQFYNOSA-N 2 1 345.487 1.565 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H](C)Cn2cc[nH+]c2C)[N@H+](C)C1 ZINC000500326878 448087887 /nfs/dbraw/zinc/08/78/87/448087887.db2.gz WKBGEPAHOFRQMB-BPUTZDHNSA-N 2 1 337.468 1.188 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H](C)Cn2cc[nH+]c2C)[N@@H+](C)C1 ZINC000500326878 448087893 /nfs/dbraw/zinc/08/78/93/448087893.db2.gz WKBGEPAHOFRQMB-BPUTZDHNSA-N 2 1 337.468 1.188 20 0 EDADMP CC(C)C[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000496982022 448095318 /nfs/dbraw/zinc/09/53/18/448095318.db2.gz VXHHANKXGSWFQN-WMLDXEAASA-N 2 1 329.485 1.582 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000576688027 448114165 /nfs/dbraw/zinc/11/41/65/448114165.db2.gz MRJBRQPCFJPABC-YJBOKZPZSA-N 2 1 330.476 1.948 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000497011674 448121218 /nfs/dbraw/zinc/12/12/18/448121218.db2.gz ABZFPBKKBVETLZ-OAHLLOKOSA-N 2 1 341.415 1.850 20 0 EDADMP CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531660779 448124899 /nfs/dbraw/zinc/12/48/99/448124899.db2.gz RMYSBKOUOVXDHJ-CVEARBPZSA-N 2 1 326.485 1.269 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531660779 448124901 /nfs/dbraw/zinc/12/49/01/448124901.db2.gz RMYSBKOUOVXDHJ-CVEARBPZSA-N 2 1 326.485 1.269 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000556700063 448135444 /nfs/dbraw/zinc/13/54/44/448135444.db2.gz QTRIUSILJTUMMN-ZDUSSCGKSA-N 2 1 344.463 1.589 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000556700063 448135447 /nfs/dbraw/zinc/13/54/47/448135447.db2.gz QTRIUSILJTUMMN-ZDUSSCGKSA-N 2 1 344.463 1.589 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000527114272 448162121 /nfs/dbraw/zinc/16/21/21/448162121.db2.gz NVGMZTQCXSCCPT-HXUWFJFHSA-N 2 1 345.487 1.566 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000531809342 448150280 /nfs/dbraw/zinc/15/02/80/448150280.db2.gz HSCFWAYXRNYBAF-OIISXLGYSA-N 2 1 338.496 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000531809342 448150283 /nfs/dbraw/zinc/15/02/83/448150283.db2.gz HSCFWAYXRNYBAF-OIISXLGYSA-N 2 1 338.496 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000531809342 448150290 /nfs/dbraw/zinc/15/02/90/448150290.db2.gz HSCFWAYXRNYBAF-OIISXLGYSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000511510168 448153708 /nfs/dbraw/zinc/15/37/08/448153708.db2.gz ZKDJOVSFUPETGM-GVDBMIGSSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000532089182 448199333 /nfs/dbraw/zinc/19/93/33/448199333.db2.gz ZDOUJOLWTGDBIV-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000514932926 448227437 /nfs/dbraw/zinc/22/74/37/448227437.db2.gz NRLBUZVISCYQKH-KDOFPFPSSA-N 2 1 332.444 1.869 20 0 EDADMP O[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cn1ccnn1 ZINC000572037694 448269483 /nfs/dbraw/zinc/26/94/83/448269483.db2.gz CFHRUAOGPQKXGZ-MSOLQXFVSA-N 2 1 341.459 1.426 20 0 EDADMP O[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cn1ccnn1 ZINC000572037694 448269492 /nfs/dbraw/zinc/26/94/92/448269492.db2.gz CFHRUAOGPQKXGZ-MSOLQXFVSA-N 2 1 341.459 1.426 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000591097652 448260028 /nfs/dbraw/zinc/26/00/28/448260028.db2.gz YUUOUXNUEQPOGB-OAHLLOKOSA-N 2 1 334.439 1.016 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000591097652 448260031 /nfs/dbraw/zinc/26/00/31/448260031.db2.gz YUUOUXNUEQPOGB-OAHLLOKOSA-N 2 1 334.439 1.016 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000572014080 448264950 /nfs/dbraw/zinc/26/49/50/448264950.db2.gz QSSVGFOLCKOTJQ-TWMKSMIVSA-N 2 1 336.480 1.023 20 0 EDADMP Cc1ccc(NC(=O)CC[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)nc1 ZINC000577484083 448308455 /nfs/dbraw/zinc/30/84/55/448308455.db2.gz MJFBVZRIIHMVHY-MRXNPFEDSA-N 2 1 334.464 1.809 20 0 EDADMP C[C@@](O)(C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(F)(F)F ZINC000577385195 448283401 /nfs/dbraw/zinc/28/34/01/448283401.db2.gz FHCHKUGIEFVCCO-OAHLLOKOSA-N 2 1 332.366 1.922 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000591409573 448354964 /nfs/dbraw/zinc/35/49/64/448354964.db2.gz UCDMTKWMGFITPQ-KBAYOESNSA-N 2 1 346.475 1.452 20 0 EDADMP CN(C)c1[nH+]cc(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)n1C ZINC000527766960 448356643 /nfs/dbraw/zinc/35/66/43/448356643.db2.gz IGJYWKPQDMPHDN-UHFFFAOYSA-N 2 1 344.463 1.390 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000577720840 448367783 /nfs/dbraw/zinc/36/77/83/448367783.db2.gz SYTIZZIHKRHYCC-CQSZACIVSA-N 2 1 344.459 1.071 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c2cccs2)CC1 ZINC000572478226 448388696 /nfs/dbraw/zinc/38/86/96/448388696.db2.gz DABCJIBHLOIWQH-IIDMSEBBSA-N 2 1 348.516 1.152 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000533390045 448397045 /nfs/dbraw/zinc/39/70/45/448397045.db2.gz URRUPTUMUGPMAD-CVEARBPZSA-N 2 1 340.427 1.709 20 0 EDADMP O=C(CN1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000533390045 448397052 /nfs/dbraw/zinc/39/70/52/448397052.db2.gz URRUPTUMUGPMAD-CVEARBPZSA-N 2 1 340.427 1.709 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1)c1ccccc1 ZINC000572647609 448431929 /nfs/dbraw/zinc/43/19/29/448431929.db2.gz UCPAGDTZSLLMNF-KZNAEPCWSA-N 2 1 349.475 1.189 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)[C@@H](C)C1 ZINC000566296301 448438514 /nfs/dbraw/zinc/43/85/14/448438514.db2.gz CLFRQPCDUMOABB-XIRDDKMYSA-N 2 1 333.480 1.610 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000566567732 448510934 /nfs/dbraw/zinc/51/09/34/448510934.db2.gz VNVUIAMOWWOUAT-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000516979195 448516284 /nfs/dbraw/zinc/51/62/84/448516284.db2.gz KYOANQFQLCPFJD-QGZVFWFLSA-N 2 1 345.487 1.472 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC3CC3)C1)CC2 ZINC000573006712 448522322 /nfs/dbraw/zinc/52/23/22/448522322.db2.gz KXTPFNRFDQYMJW-IAGOWNOFSA-N 2 1 330.476 1.944 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC3CC3)C1)CC2 ZINC000573006712 448522325 /nfs/dbraw/zinc/52/23/25/448522325.db2.gz KXTPFNRFDQYMJW-IAGOWNOFSA-N 2 1 330.476 1.944 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3cn[nH]c3)CC2)CC1 ZINC000573019502 448525744 /nfs/dbraw/zinc/52/57/44/448525744.db2.gz ZHLLFCVSAYAUBR-UHFFFAOYSA-N 2 1 333.480 1.265 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000537961718 448575827 /nfs/dbraw/zinc/57/58/27/448575827.db2.gz VLMWSJXZHDFHOY-OAGGEKHMSA-N 2 1 343.479 1.271 20 0 EDADMP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000573228098 448576550 /nfs/dbraw/zinc/57/65/50/448576550.db2.gz VAGXYYVNIWSEPG-PBHICJAKSA-N 2 1 342.447 1.079 20 0 EDADMP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000573228098 448576557 /nfs/dbraw/zinc/57/65/57/448576557.db2.gz VAGXYYVNIWSEPG-PBHICJAKSA-N 2 1 342.447 1.079 20 0 EDADMP C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584467710 448538065 /nfs/dbraw/zinc/53/80/65/448538065.db2.gz CAIXYUVBIHVNKG-WBAXXEDZSA-N 2 1 331.460 1.520 20 0 EDADMP C[C@H]1C[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CCC1=O ZINC000539358131 448609688 /nfs/dbraw/zinc/60/96/88/448609688.db2.gz PCZRJVVTAFKHLB-KBPBESRZSA-N 2 1 330.432 1.777 20 0 EDADMP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000578642562 448602722 /nfs/dbraw/zinc/60/27/22/448602722.db2.gz QOANNGOWCFEVMD-RDTXWAMCSA-N 2 1 332.444 1.869 20 0 EDADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000567159489 448625458 /nfs/dbraw/zinc/62/54/58/448625458.db2.gz LQLVMGGQHKJBGB-VIBAHUMZSA-N 2 1 349.500 1.730 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528704265 448638274 /nfs/dbraw/zinc/63/82/74/448638274.db2.gz HEWSGMLFWPLPSJ-INIZCTEOSA-N 2 1 348.447 1.137 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)C1=O ZINC000584816625 448640226 /nfs/dbraw/zinc/64/02/26/448640226.db2.gz WZKCQODJLZLCPO-QZTJIDSGSA-N 2 1 343.471 1.945 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000573582688 448665771 /nfs/dbraw/zinc/66/57/71/448665771.db2.gz JRBWZCCMJJTEIH-INIZCTEOSA-N 2 1 338.496 1.272 20 0 EDADMP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)CC(F)(F)C[NH3+])cc1 ZINC000567175657 448631445 /nfs/dbraw/zinc/63/14/45/448631445.db2.gz ZQIGYCWEVBWZFT-OAHLLOKOSA-N 2 1 341.402 1.932 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000541544300 448679453 /nfs/dbraw/zinc/67/94/53/448679453.db2.gz SYLRXXAIRVCTAX-OAHLLOKOSA-N 2 1 330.432 1.214 20 0 EDADMP C[C@H](Cc1cnc[nH]1)C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000579139288 448725987 /nfs/dbraw/zinc/72/59/87/448725987.db2.gz CIPDTSLOKLHMKD-OAHLLOKOSA-N 2 1 342.443 1.737 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000579225346 448743892 /nfs/dbraw/zinc/74/38/92/448743892.db2.gz AOEOHBHTVOKIKB-OAHLLOKOSA-N 2 1 340.512 1.151 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000567764307 448755160 /nfs/dbraw/zinc/75/51/60/448755160.db2.gz WENLGSFZHYMDHM-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP C[N@@H+](CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CCCCC1 ZINC000567773736 448756976 /nfs/dbraw/zinc/75/69/76/448756976.db2.gz KCDAFHHTLCWWQT-AWEZNQCLSA-N 2 1 334.468 1.024 20 0 EDADMP CC[C@@H]1CN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C[C@H]1O ZINC000574052295 448780719 /nfs/dbraw/zinc/78/07/19/448780719.db2.gz ZTWICSZZDKMIIL-CRAIPNDOSA-N 2 1 337.508 1.412 20 0 EDADMP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](CCOC)C1)c1ccccc1 ZINC000592313567 448788333 /nfs/dbraw/zinc/78/83/33/448788333.db2.gz SUOQQOVJWKVYBO-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](CCOC)C1)c1ccccc1 ZINC000592313567 448788336 /nfs/dbraw/zinc/78/83/36/448788336.db2.gz SUOQQOVJWKVYBO-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCOC)C1)c1ccccc1 ZINC000592313567 448788339 /nfs/dbraw/zinc/78/83/39/448788339.db2.gz SUOQQOVJWKVYBO-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCOC)C1)c1ccccc1 ZINC000592313567 448788343 /nfs/dbraw/zinc/78/83/43/448788343.db2.gz SUOQQOVJWKVYBO-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000529313911 448818545 /nfs/dbraw/zinc/81/85/45/448818545.db2.gz RWVUKEXOBTZIRS-UHFFFAOYSA-N 2 1 342.443 1.981 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)[C@H]1c1ccccc1 ZINC000529322945 448823535 /nfs/dbraw/zinc/82/35/35/448823535.db2.gz RXTKTJYOBXCUBY-HZPDHXFCSA-N 2 1 332.448 1.239 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)[C@H]1c1ccccc1 ZINC000520203838 448871469 /nfs/dbraw/zinc/87/14/69/448871469.db2.gz GKVOFDIFYZNPGW-RRFJBIMHSA-N 2 1 338.402 1.728 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000520314017 448882650 /nfs/dbraw/zinc/88/26/50/448882650.db2.gz BCWLEMQBOPHRSA-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000520314017 448882654 /nfs/dbraw/zinc/88/26/54/448882654.db2.gz BCWLEMQBOPHRSA-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP C[C@H](NC(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000579938315 448913262 /nfs/dbraw/zinc/91/32/62/448913262.db2.gz NCKPQTWGILRBND-JQHSSLGASA-N 2 1 343.471 1.564 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000568763082 448918489 /nfs/dbraw/zinc/91/84/89/448918489.db2.gz CZTSHLDAFCGNNE-NVXWUHKLSA-N 2 1 348.466 1.676 20 0 EDADMP Cc1ccc(NCCCNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)[nH+]c1 ZINC000547789105 448929207 /nfs/dbraw/zinc/92/92/07/448929207.db2.gz WYGQFNVUQWHJBT-MRXNPFEDSA-N 2 1 333.480 2.222 20 0 EDADMP Cc1ccc(NCCCNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)[nH+]c1 ZINC000547789105 448929210 /nfs/dbraw/zinc/92/92/10/448929210.db2.gz WYGQFNVUQWHJBT-MRXNPFEDSA-N 2 1 333.480 2.222 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000529518751 448888645 /nfs/dbraw/zinc/88/86/45/448888645.db2.gz NMFOFHDQHVOTHW-SFHVURJKSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000529518751 448888649 /nfs/dbraw/zinc/88/86/49/448888649.db2.gz NMFOFHDQHVOTHW-SFHVURJKSA-N 2 1 326.444 1.967 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000588943170 448953103 /nfs/dbraw/zinc/95/31/03/448953103.db2.gz CNLDJBNKLISJEB-MRXNPFEDSA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccnn1CC[NH+](C)C ZINC000574748704 448946547 /nfs/dbraw/zinc/94/65/47/448946547.db2.gz RGLDHEGVXLWYFE-CABCVRRESA-N 2 1 334.468 1.535 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000574918878 448990208 /nfs/dbraw/zinc/99/02/08/448990208.db2.gz BCLRETRRPHQJSO-UHFFFAOYSA-N 2 1 347.507 1.541 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@H+]([C@H]3CCN(C4CCCCC4)C3=O)C2)nn1 ZINC000530222092 449085639 /nfs/dbraw/zinc/08/56/39/449085639.db2.gz FQIBAQXQFBOMOD-SJORKVTESA-N 2 1 346.479 1.307 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592959754 449083545 /nfs/dbraw/zinc/08/35/45/449083545.db2.gz PQMDMZSDEUAORY-IMJJTQAJSA-N 2 1 331.464 1.418 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592961611 449085223 /nfs/dbraw/zinc/08/52/23/449085223.db2.gz PVQWKSGMSXAUOI-CVEARBPZSA-N 2 1 345.491 1.523 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+]([C@H]3CCN(C4CCCCC4)C3=O)C2)nn1 ZINC000530222092 449085634 /nfs/dbraw/zinc/08/56/34/449085634.db2.gz FQIBAQXQFBOMOD-SJORKVTESA-N 2 1 346.479 1.307 20 0 EDADMP C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NCc2ccccc2)[C@@H]1CC[NH3+] ZINC000593730797 449165190 /nfs/dbraw/zinc/16/51/90/449165190.db2.gz GXORXOJGURXYLP-GDBMZVCRSA-N 2 1 332.448 1.462 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)[C@@H]1CC[NH3+] ZINC000593730797 449165195 /nfs/dbraw/zinc/16/51/95/449165195.db2.gz GXORXOJGURXYLP-GDBMZVCRSA-N 2 1 332.448 1.462 20 0 EDADMP CCOC(=O)c1cccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)n1 ZINC000600131753 449207672 /nfs/dbraw/zinc/20/76/72/449207672.db2.gz HETZALMGPVRRPX-UHFFFAOYSA-N 2 1 348.491 1.622 20 0 EDADMP CSCC[C@@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000595945317 449271320 /nfs/dbraw/zinc/27/13/20/449271320.db2.gz LHQKAPJMZNLIPP-DLBZAZTESA-N 2 1 335.517 1.842 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000590965883 449362253 /nfs/dbraw/zinc/36/22/53/449362253.db2.gz FMWFDLKJAKMLKT-CBZIJGRNSA-N 2 1 339.524 1.967 20 0 EDADMP CC(C)[NH+](CCNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)C(C)C ZINC000611625711 449363153 /nfs/dbraw/zinc/36/31/53/449363153.db2.gz CYHVFCAGERSXQB-UHFFFAOYSA-N 2 1 341.544 1.430 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000617013464 449431407 /nfs/dbraw/zinc/43/14/07/449431407.db2.gz VAMWYAMDCYZQEW-QZTJIDSGSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000617013464 449431412 /nfs/dbraw/zinc/43/14/12/449431412.db2.gz VAMWYAMDCYZQEW-QZTJIDSGSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000617013464 449431417 /nfs/dbraw/zinc/43/14/17/449431417.db2.gz VAMWYAMDCYZQEW-QZTJIDSGSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000617013464 449431423 /nfs/dbraw/zinc/43/14/23/449431423.db2.gz VAMWYAMDCYZQEW-QZTJIDSGSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1=Cc2cc(F)ccc2OC1 ZINC000617506410 449652033 /nfs/dbraw/zinc/65/20/33/449652033.db2.gz MKEAFSDVFDREHX-AWEZNQCLSA-N 2 1 349.450 1.990 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1=Cc2cc(F)ccc2OC1 ZINC000617506410 449652038 /nfs/dbraw/zinc/65/20/38/449652038.db2.gz MKEAFSDVFDREHX-AWEZNQCLSA-N 2 1 349.450 1.990 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(-n2cccn2)n1 ZINC000617505732 449652066 /nfs/dbraw/zinc/65/20/66/449652066.db2.gz NWIHMJJRYUMDNZ-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(-n2cccn2)n1 ZINC000617505732 449652074 /nfs/dbraw/zinc/65/20/74/449652074.db2.gz NWIHMJJRYUMDNZ-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP Cc1ccc([C@H](C)[C@@H](O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617506674 449657401 /nfs/dbraw/zinc/65/74/01/449657401.db2.gz VUPBAOSVPVOFJH-JENIJYKNSA-N 2 1 349.519 1.848 20 0 EDADMP Cc1ccc([C@H](C)[C@@H](O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617506674 449657407 /nfs/dbraw/zinc/65/74/07/449657407.db2.gz VUPBAOSVPVOFJH-JENIJYKNSA-N 2 1 349.519 1.848 20 0 EDADMP COC(=O)c1csc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000602545883 449664958 /nfs/dbraw/zinc/66/49/58/449664958.db2.gz YKQHUVFEIUPDRF-GFCCVEGCSA-N 2 1 339.461 1.212 20 0 EDADMP COC(=O)c1csc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000602545883 449664962 /nfs/dbraw/zinc/66/49/62/449664962.db2.gz YKQHUVFEIUPDRF-GFCCVEGCSA-N 2 1 339.461 1.212 20 0 EDADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)[nH]c1C ZINC000602572395 449682125 /nfs/dbraw/zinc/68/21/25/449682125.db2.gz YZOROXLIVAXCRI-ZWKOTPCHSA-N 2 1 349.475 1.967 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC000617502515 449643967 /nfs/dbraw/zinc/64/39/67/449643967.db2.gz RWSWEFTZCYSPGQ-QXAKKESOSA-N 2 1 347.503 1.805 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC000617502515 449643971 /nfs/dbraw/zinc/64/39/71/449643971.db2.gz RWSWEFTZCYSPGQ-QXAKKESOSA-N 2 1 347.503 1.805 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn(C)nc1-c1ccco1 ZINC000617503366 449645958 /nfs/dbraw/zinc/64/59/58/449645958.db2.gz GKKMXJMIXBPBKY-AWEZNQCLSA-N 2 1 347.463 1.682 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn(C)nc1-c1ccco1 ZINC000617503366 449645963 /nfs/dbraw/zinc/64/59/63/449645963.db2.gz GKKMXJMIXBPBKY-AWEZNQCLSA-N 2 1 347.463 1.682 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000601230013 449763404 /nfs/dbraw/zinc/76/34/04/449763404.db2.gz LCYDPKHCIWGKPK-SJORKVTESA-N 2 1 340.512 1.515 20 0 EDADMP COC(=O)[C@@]1(C)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602785834 449807936 /nfs/dbraw/zinc/80/79/36/449807936.db2.gz KVAHLYVJLDDOTO-OALUTQOASA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@@]1(C)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602785834 449807942 /nfs/dbraw/zinc/80/79/42/449807942.db2.gz KVAHLYVJLDDOTO-OALUTQOASA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@@]1(C)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602785834 449807949 /nfs/dbraw/zinc/80/79/49/449807949.db2.gz KVAHLYVJLDDOTO-OALUTQOASA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@@]1(C)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602785834 449807959 /nfs/dbraw/zinc/80/79/59/449807959.db2.gz KVAHLYVJLDDOTO-OALUTQOASA-N 2 1 332.444 1.508 20 0 EDADMP C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000608356995 449816542 /nfs/dbraw/zinc/81/65/42/449816542.db2.gz ZHJZQMBMKVZRRS-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000608356995 449816550 /nfs/dbraw/zinc/81/65/50/449816550.db2.gz ZHJZQMBMKVZRRS-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000608356995 449816559 /nfs/dbraw/zinc/81/65/59/449816559.db2.gz ZHJZQMBMKVZRRS-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000608356995 449816569 /nfs/dbraw/zinc/81/65/69/449816569.db2.gz ZHJZQMBMKVZRRS-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000608654812 449898348 /nfs/dbraw/zinc/89/83/48/449898348.db2.gz VZJSMDPTQUIKBV-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000608654812 449898351 /nfs/dbraw/zinc/89/83/51/449898351.db2.gz VZJSMDPTQUIKBV-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000608654812 449898353 /nfs/dbraw/zinc/89/83/53/449898353.db2.gz VZJSMDPTQUIKBV-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP CCOC(=O)C[C@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000599393498 449939028 /nfs/dbraw/zinc/93/90/28/449939028.db2.gz MFFNHTHRJGXCGZ-INIZCTEOSA-N 2 1 335.448 1.713 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)[C@@H](C)C1 ZINC000612882844 449924929 /nfs/dbraw/zinc/92/49/29/449924929.db2.gz GWALNDOIFYDIDH-ZOBUZTSGSA-N 2 1 326.485 1.175 20 0 EDADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599657099 450133005 /nfs/dbraw/zinc/13/30/05/450133005.db2.gz CLENIXBTLJFEBC-AWEZNQCLSA-N 2 1 334.464 1.804 20 0 EDADMP COC(=O)[C@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000610393924 450205166 /nfs/dbraw/zinc/20/51/66/450205166.db2.gz JBYUFFSBZMMVJS-HFZJXRFXSA-N 2 1 338.448 1.313 20 0 EDADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCSC1 ZINC000618665857 450268481 /nfs/dbraw/zinc/26/84/81/450268481.db2.gz QJCCVYZTUAVPNI-GDBMZVCRSA-N 2 1 325.522 1.947 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCSC1 ZINC000618665857 450268483 /nfs/dbraw/zinc/26/84/83/450268483.db2.gz QJCCVYZTUAVPNI-GDBMZVCRSA-N 2 1 325.522 1.947 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCSC1 ZINC000618665857 450268487 /nfs/dbraw/zinc/26/84/87/450268487.db2.gz QJCCVYZTUAVPNI-GDBMZVCRSA-N 2 1 325.522 1.947 20 0 EDADMP CCOC(=O)CC[C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000619780164 450332045 /nfs/dbraw/zinc/33/20/45/450332045.db2.gz BKQFYCQQAHYVOY-MRXNPFEDSA-N 2 1 339.480 1.206 20 0 EDADMP CCOC(=O)CC[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000619780164 450332049 /nfs/dbraw/zinc/33/20/49/450332049.db2.gz BKQFYCQQAHYVOY-MRXNPFEDSA-N 2 1 339.480 1.206 20 0 EDADMP C[N@@H+](CCC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)C1CCCCC1 ZINC000620479746 450499653 /nfs/dbraw/zinc/49/96/53/450499653.db2.gz YHVISUGXBKHHNP-SFHVURJKSA-N 2 1 337.508 1.699 20 0 EDADMP C[NH+](CCC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CCCCC1 ZINC000620479746 450499656 /nfs/dbraw/zinc/49/96/56/450499656.db2.gz YHVISUGXBKHHNP-SFHVURJKSA-N 2 1 337.508 1.699 20 0 EDADMP C[NH+](CCC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C1CCCCC1 ZINC000620479746 450499659 /nfs/dbraw/zinc/49/96/59/450499659.db2.gz YHVISUGXBKHHNP-SFHVURJKSA-N 2 1 337.508 1.699 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C2 ZINC000620978076 450568502 /nfs/dbraw/zinc/56/85/02/450568502.db2.gz CQJYOOBATNGAAQ-RDJZCZTQSA-N 2 1 334.464 1.323 20 0 EDADMP COc1ccc([C@H]2CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)cc1F ZINC000626126679 450579432 /nfs/dbraw/zinc/57/94/32/450579432.db2.gz UZPVVWNOUQKHQF-INIZCTEOSA-N 2 1 349.450 1.788 20 0 EDADMP COc1ccc([C@H]2CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)cc1F ZINC000626126679 450579433 /nfs/dbraw/zinc/57/94/33/450579433.db2.gz UZPVVWNOUQKHQF-INIZCTEOSA-N 2 1 349.450 1.788 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H]2CCn3cc(C)nc3C2)CC[N@H+]1CCOC ZINC000626320134 450685434 /nfs/dbraw/zinc/68/54/34/450685434.db2.gz LTRPPRAPUMKENP-IRXDYDNUSA-N 2 1 348.491 1.713 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H]2CCn3cc(C)nc3C2)CCN1CCOC ZINC000626320134 450685438 /nfs/dbraw/zinc/68/54/38/450685438.db2.gz LTRPPRAPUMKENP-IRXDYDNUSA-N 2 1 348.491 1.713 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000631637264 450688402 /nfs/dbraw/zinc/68/84/02/450688402.db2.gz SHTYCNWYRALWNE-UHFFFAOYSA-N 2 1 337.489 1.228 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@H](O)C[NH+]3CCCC3)C2)c1 ZINC000629565926 450739433 /nfs/dbraw/zinc/73/94/33/450739433.db2.gz QSNQKNKSLCFISP-RDJZCZTQSA-N 2 1 349.475 1.329 20 0 EDADMP CC[C@@H](C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000629613454 450762093 /nfs/dbraw/zinc/76/20/93/450762093.db2.gz ARVFBKZSSVMCGJ-KRWDZBQOSA-N 2 1 332.492 1.436 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000624357149 450806791 /nfs/dbraw/zinc/80/67/91/450806791.db2.gz HKXADMBZDCZOFT-GOSISDBHSA-N 2 1 345.491 1.687 20 0 EDADMP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C[C@H]1C[NH3+] ZINC000631839285 450806765 /nfs/dbraw/zinc/80/67/65/450806765.db2.gz DALKSDBMNXKKTM-HUUCEWRRSA-N 2 1 334.439 1.001 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C[C@H]1C[NH3+] ZINC000631839285 450806766 /nfs/dbraw/zinc/80/67/66/450806766.db2.gz DALKSDBMNXKKTM-HUUCEWRRSA-N 2 1 334.439 1.001 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621653194 450817025 /nfs/dbraw/zinc/81/70/25/450817025.db2.gz ROEZMJDVBAZXAJ-OAHLLOKOSA-N 3 1 331.464 1.552 20 0 EDADMP CC[NH+](CC)[C@H](CNS(=O)(=O)CCC[NH+](C)C)c1ccco1 ZINC000631813654 450793198 /nfs/dbraw/zinc/79/31/98/450793198.db2.gz XGSMHOSYUHBVBE-CQSZACIVSA-N 2 1 331.482 1.534 20 0 EDADMP NS(=O)(=O)c1cccc2c1CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000631884257 450846025 /nfs/dbraw/zinc/84/60/25/450846025.db2.gz HKHUKJMOGWGABQ-UHFFFAOYSA-N 2 1 337.489 1.472 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)NCCCC[NH+]1CCOCC1 ZINC000635332717 450858369 /nfs/dbraw/zinc/85/83/69/450858369.db2.gz FQFWTTWNOYLMFP-UHFFFAOYSA-N 2 1 333.476 1.390 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)C[C@H]21 ZINC000627649225 450867236 /nfs/dbraw/zinc/86/72/36/450867236.db2.gz OGBNJRTUWNQRNL-XDNAFOTISA-N 2 1 345.512 1.795 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000624612415 450922614 /nfs/dbraw/zinc/92/26/14/450922614.db2.gz UBWCTDOLYITZMO-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624612415 450922618 /nfs/dbraw/zinc/92/26/18/450922618.db2.gz UBWCTDOLYITZMO-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624612415 450922621 /nfs/dbraw/zinc/92/26/21/450922621.db2.gz UBWCTDOLYITZMO-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCOCC[NH3+])C1 ZINC000626975045 451044114 /nfs/dbraw/zinc/04/41/14/451044114.db2.gz MGNRQDJSAWWLOS-OAHLLOKOSA-N 2 1 328.501 1.504 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)C(=O)Nc1ccc2nccn2c1 ZINC000627906526 451014856 /nfs/dbraw/zinc/01/48/56/451014856.db2.gz AGADKKRVAIXPSB-OAHLLOKOSA-N 2 1 341.415 1.406 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000622094680 451041288 /nfs/dbraw/zinc/04/12/88/451041288.db2.gz WOOARNZQSUVZHR-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000622094680 451041292 /nfs/dbraw/zinc/04/12/92/451041292.db2.gz WOOARNZQSUVZHR-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000622094680 451041298 /nfs/dbraw/zinc/04/12/98/451041298.db2.gz WOOARNZQSUVZHR-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000626994877 451061004 /nfs/dbraw/zinc/06/10/04/451061004.db2.gz KCSNFBIUSZQZDE-BLLLJJGKSA-N 2 1 346.479 1.502 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCCOCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000626998403 451064280 /nfs/dbraw/zinc/06/42/80/451064280.db2.gz MNMKFBGFEXWCMU-NVXWUHKLSA-N 2 1 334.464 1.314 20 0 EDADMP CC[C@H](NC(=O)N(CC)CC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000627000553 451066654 /nfs/dbraw/zinc/06/66/54/451066654.db2.gz RYQGNXGEPDHMQQ-ZWKOTPCHSA-N 2 1 348.491 1.656 20 0 EDADMP CC[C@H](NC(=O)N(CC)CC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000627000553 451066659 /nfs/dbraw/zinc/06/66/59/451066659.db2.gz RYQGNXGEPDHMQQ-ZWKOTPCHSA-N 2 1 348.491 1.656 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000627012415 451077475 /nfs/dbraw/zinc/07/74/75/451077475.db2.gz AFPMQOXNMNGKGZ-RDJZCZTQSA-N 2 1 334.464 1.042 20 0 EDADMP [NH3+]CCCOCCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000626978459 451047132 /nfs/dbraw/zinc/04/71/32/451047132.db2.gz DWAIDIGYMHCYEA-KRWDZBQOSA-N 2 1 334.464 1.316 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC[C@H]1C(F)(F)F ZINC000626982877 451050724 /nfs/dbraw/zinc/05/07/24/451050724.db2.gz VHTAIHPXAMFIQQ-MGPQQGTHSA-N 2 1 348.413 1.639 20 0 EDADMP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000635631036 451121143 /nfs/dbraw/zinc/12/11/43/451121143.db2.gz PZPPVXZODWOCOE-LJQANCHMSA-N 2 1 331.460 1.081 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCOCC[NH2+]C)CC[N@H+]1Cc1ccccc1 ZINC000627175356 451166065 /nfs/dbraw/zinc/16/60/65/451166065.db2.gz XHJRXOCIGWUHTB-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C[NH2+]1 ZINC000627209622 451187498 /nfs/dbraw/zinc/18/74/98/451187498.db2.gz HIYNEBBHQGQAFK-NJAFHUGGSA-N 2 1 330.476 1.695 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C[NH2+]1 ZINC000627209622 451187500 /nfs/dbraw/zinc/18/75/00/451187500.db2.gz HIYNEBBHQGQAFK-NJAFHUGGSA-N 2 1 330.476 1.695 20 0 EDADMP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CC[N@@H+](C2CCC2)C1 ZINC000632361438 451224298 /nfs/dbraw/zinc/22/42/98/451224298.db2.gz ZXJGGECWKUMFGS-AWEZNQCLSA-N 2 1 329.510 1.217 20 0 EDADMP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CC[N@H+](C2CCC2)C1 ZINC000632361438 451224299 /nfs/dbraw/zinc/22/42/99/451224299.db2.gz ZXJGGECWKUMFGS-AWEZNQCLSA-N 2 1 329.510 1.217 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000638099545 451264925 /nfs/dbraw/zinc/26/49/25/451264925.db2.gz HIBADPFIPBYTBK-FNHZYXHNSA-N 2 1 347.459 1.785 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000635827534 451276664 /nfs/dbraw/zinc/27/66/64/451276664.db2.gz ATWQMWFUUOZZNF-SJLPKXTDSA-N 2 1 330.476 1.704 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000635827534 451276665 /nfs/dbraw/zinc/27/66/65/451276665.db2.gz ATWQMWFUUOZZNF-SJLPKXTDSA-N 2 1 330.476 1.704 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000635827534 451276667 /nfs/dbraw/zinc/27/66/67/451276667.db2.gz ATWQMWFUUOZZNF-SJLPKXTDSA-N 2 1 330.476 1.704 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638112900 451281135 /nfs/dbraw/zinc/28/11/35/451281135.db2.gz WPNPJGPIKCDCLP-WSTZPKSXSA-N 2 1 345.487 1.734 20 0 EDADMP COc1cccc([C@H]([NH3+])C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000638116086 451284141 /nfs/dbraw/zinc/28/41/41/451284141.db2.gz VUCVWAXDNIZRBG-SFHVURJKSA-N 2 1 347.459 1.266 20 0 EDADMP C[C@@H](NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000638127862 451298018 /nfs/dbraw/zinc/29/80/18/451298018.db2.gz ZLJBMGMYOHKVAX-NVXWUHKLSA-N 2 1 334.508 1.538 20 0 EDADMP C[C@@H](NC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000638127862 451298027 /nfs/dbraw/zinc/29/80/27/451298027.db2.gz ZLJBMGMYOHKVAX-NVXWUHKLSA-N 2 1 334.508 1.538 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000638133854 451307212 /nfs/dbraw/zinc/30/72/12/451307212.db2.gz KXSDXLLNXSQMIZ-KYJSFNMBSA-N 2 1 330.476 1.187 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000638133854 451307216 /nfs/dbraw/zinc/30/72/16/451307216.db2.gz KXSDXLLNXSQMIZ-KYJSFNMBSA-N 2 1 330.476 1.187 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000638133854 451307220 /nfs/dbraw/zinc/30/72/20/451307220.db2.gz KXSDXLLNXSQMIZ-KYJSFNMBSA-N 2 1 330.476 1.187 20 0 EDADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638243788 451378150 /nfs/dbraw/zinc/37/81/50/451378150.db2.gz DKDCNDJUUXFQJM-FQBWVUSXSA-N 2 1 327.472 1.869 20 0 EDADMP C[N@@H+]1CCCC[C@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000628749990 451396117 /nfs/dbraw/zinc/39/61/17/451396117.db2.gz KZKHEYBFECWPLN-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CCCC[C@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000628749990 451396123 /nfs/dbraw/zinc/39/61/23/451396123.db2.gz KZKHEYBFECWPLN-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000628749990 451396127 /nfs/dbraw/zinc/39/61/27/451396127.db2.gz KZKHEYBFECWPLN-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000628749990 451396133 /nfs/dbraw/zinc/39/61/33/451396133.db2.gz KZKHEYBFECWPLN-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000638287956 451405141 /nfs/dbraw/zinc/40/51/41/451405141.db2.gz YEYFJOJVUBJOPM-UOVPBQLFSA-N 2 1 333.476 1.718 20 0 EDADMP CN(C)c1cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc[nH+]1 ZINC000640603707 451449331 /nfs/dbraw/zinc/44/93/31/451449331.db2.gz DSQYDGOGAOUVCT-HOTGVXAUSA-N 2 1 347.463 1.647 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]2CCC[NH+]2CC)CC[N@H+]1C ZINC000630879040 451456955 /nfs/dbraw/zinc/45/69/55/451456955.db2.gz DHOSKOYDJWQOQS-FGTMMUONSA-N 3 1 338.540 1.591 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)CC[NH+]1C ZINC000630879040 451456959 /nfs/dbraw/zinc/45/69/59/451456959.db2.gz DHOSKOYDJWQOQS-FGTMMUONSA-N 3 1 338.540 1.591 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)CC[NH+]1C ZINC000630879040 451456962 /nfs/dbraw/zinc/45/69/62/451456962.db2.gz DHOSKOYDJWQOQS-FGTMMUONSA-N 3 1 338.540 1.591 20 0 EDADMP [NH3+]Cc1ncc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cn1 ZINC000638365764 451463731 /nfs/dbraw/zinc/46/37/31/451463731.db2.gz DMVMUPGVALEHOX-DOTOQJQBSA-N 2 1 337.427 1.282 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ccn1 ZINC000640616358 451464356 /nfs/dbraw/zinc/46/43/56/451464356.db2.gz HPQNCPSURBPWET-INIZCTEOSA-N 2 1 335.452 1.112 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)ccn1 ZINC000640616358 451464360 /nfs/dbraw/zinc/46/43/60/451464360.db2.gz HPQNCPSURBPWET-INIZCTEOSA-N 2 1 335.452 1.112 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)ccn1 ZINC000640618284 451466446 /nfs/dbraw/zinc/46/64/46/451466446.db2.gz GCLSZVAZTZWYBK-QGZVFWFLSA-N 2 1 347.463 1.518 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634699254 451471672 /nfs/dbraw/zinc/47/16/72/451471672.db2.gz HBTHKPUEDDNCDF-SJORKVTESA-N 2 1 328.497 1.381 20 0 EDADMP CC1CC[NH+](CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634700161 451473427 /nfs/dbraw/zinc/47/34/27/451473427.db2.gz UVMUYUBGTIMQTR-FQEVSTJZSA-N 2 1 331.504 1.945 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000638380064 451474959 /nfs/dbraw/zinc/47/49/59/451474959.db2.gz AINLKHPKNGGEMW-UHFFFAOYSA-N 2 1 333.476 1.388 20 0 EDADMP CC1(C)CN(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000634703695 451479622 /nfs/dbraw/zinc/47/96/22/451479622.db2.gz ZXUXSYQRMZFCAQ-FQEVSTJZSA-N 2 1 347.503 1.324 20 0 EDADMP CC1(C)CN(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000634703695 451479623 /nfs/dbraw/zinc/47/96/23/451479623.db2.gz ZXUXSYQRMZFCAQ-FQEVSTJZSA-N 2 1 347.503 1.324 20 0 EDADMP CCC1([NH+]2CCCC2)CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000632640524 451480509 /nfs/dbraw/zinc/48/05/09/451480509.db2.gz RPUDXGMBZSNPCJ-UHFFFAOYSA-N 2 1 343.537 1.751 20 0 EDADMP O[C@@]1(C[NH2+]CCCOC2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634706510 451483669 /nfs/dbraw/zinc/48/36/69/451483669.db2.gz QJVIXQSAZGDYSM-HXUWFJFHSA-N 2 1 348.487 1.799 20 0 EDADMP O[C@@]1(C[NH2+]CCCOC2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634706510 451483676 /nfs/dbraw/zinc/48/36/76/451483676.db2.gz QJVIXQSAZGDYSM-HXUWFJFHSA-N 2 1 348.487 1.799 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000638400634 451489179 /nfs/dbraw/zinc/48/91/79/451489179.db2.gz KGTYHJNOEKWQQG-ROUUACIJSA-N 2 1 346.519 1.682 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000638400634 451489184 /nfs/dbraw/zinc/48/91/84/451489184.db2.gz KGTYHJNOEKWQQG-ROUUACIJSA-N 2 1 346.519 1.682 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638400634 451489190 /nfs/dbraw/zinc/48/91/90/451489190.db2.gz KGTYHJNOEKWQQG-ROUUACIJSA-N 2 1 346.519 1.682 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000638400634 451489195 /nfs/dbraw/zinc/48/91/95/451489195.db2.gz KGTYHJNOEKWQQG-ROUUACIJSA-N 2 1 346.519 1.682 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638400634 451489200 /nfs/dbraw/zinc/48/92/00/451489200.db2.gz KGTYHJNOEKWQQG-ROUUACIJSA-N 2 1 346.519 1.682 20 0 EDADMP CNC(=O)C1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634711746 451491136 /nfs/dbraw/zinc/49/11/36/451491136.db2.gz UCLWWVLCBUDKDV-QLOJAFMTSA-N 2 1 345.487 1.518 20 0 EDADMP CNC(=O)C1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634711746 451491141 /nfs/dbraw/zinc/49/11/41/451491141.db2.gz UCLWWVLCBUDKDV-QLOJAFMTSA-N 2 1 345.487 1.518 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638335843 451441394 /nfs/dbraw/zinc/44/13/94/451441394.db2.gz WLEHKJNGZMKYMX-NFBUACBFSA-N 2 1 343.471 1.473 20 0 EDADMP OC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000634721920 451503174 /nfs/dbraw/zinc/50/31/74/451503174.db2.gz HDUBYCDSUDHYBB-FHWLQOOXSA-N 2 1 334.460 1.001 20 0 EDADMP OC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000634721920 451503179 /nfs/dbraw/zinc/50/31/79/451503179.db2.gz HDUBYCDSUDHYBB-FHWLQOOXSA-N 2 1 334.460 1.001 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C2 ZINC000634745836 451522205 /nfs/dbraw/zinc/52/22/05/451522205.db2.gz VEIBABNEVOOUJW-QRQLOZEOSA-N 2 1 328.460 1.504 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)C2 ZINC000634745836 451522210 /nfs/dbraw/zinc/52/22/10/451522210.db2.gz VEIBABNEVOOUJW-QRQLOZEOSA-N 2 1 328.460 1.504 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000636144171 451545615 /nfs/dbraw/zinc/54/56/15/451545615.db2.gz YPKZSAYLAKXYNJ-IRXDYDNUSA-N 2 1 341.496 1.104 20 0 EDADMP COCCOCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000636144171 451545618 /nfs/dbraw/zinc/54/56/18/451545618.db2.gz YPKZSAYLAKXYNJ-IRXDYDNUSA-N 2 1 341.496 1.104 20 0 EDADMP COCCOCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000636144171 451545623 /nfs/dbraw/zinc/54/56/23/451545623.db2.gz YPKZSAYLAKXYNJ-IRXDYDNUSA-N 2 1 341.496 1.104 20 0 EDADMP Cc1ccc(NC(=O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000640761940 451561955 /nfs/dbraw/zinc/56/19/55/451561955.db2.gz UATZDEQQLWAPEW-UHFFFAOYSA-N 2 1 342.447 1.191 20 0 EDADMP O=C(N1CC[NH+](CCc2ccncc2)CC1)C12CCC[NH+](CCC1)C2 ZINC000636292569 451660291 /nfs/dbraw/zinc/66/02/91/451660291.db2.gz MIFBPFNNPSFTGO-UHFFFAOYSA-N 2 1 342.487 1.644 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000638782805 451690093 /nfs/dbraw/zinc/69/00/93/451690093.db2.gz BWLFFAJGQLYYRK-RTBURBONSA-N 2 1 345.487 1.906 20 0 EDADMP COC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000638837035 451706221 /nfs/dbraw/zinc/70/62/21/451706221.db2.gz XHDSUTLPAQFSCC-WMZOPIPTSA-N 2 1 345.487 1.639 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000636447103 451712441 /nfs/dbraw/zinc/71/24/41/451712441.db2.gz MWYUZHANOACXBT-KRWDZBQOSA-N 2 1 338.496 1.415 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000636447103 451712443 /nfs/dbraw/zinc/71/24/43/451712443.db2.gz MWYUZHANOACXBT-KRWDZBQOSA-N 2 1 338.496 1.415 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000636447104 451712626 /nfs/dbraw/zinc/71/26/26/451712626.db2.gz MWYUZHANOACXBT-QGZVFWFLSA-N 2 1 338.496 1.415 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000636447104 451712629 /nfs/dbraw/zinc/71/26/29/451712629.db2.gz MWYUZHANOACXBT-QGZVFWFLSA-N 2 1 338.496 1.415 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2F)CC1 ZINC000638925713 451737448 /nfs/dbraw/zinc/73/74/48/451737448.db2.gz UJTNVDVQEGYGNI-IYBDPMFKSA-N 2 1 346.450 1.544 20 0 EDADMP [NH3+][C@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccccc1 ZINC000638985092 451746902 /nfs/dbraw/zinc/74/69/02/451746902.db2.gz YFNJMXZYRGFTMJ-MRXNPFEDSA-N 2 1 325.416 1.520 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000641167729 451767777 /nfs/dbraw/zinc/76/77/77/451767777.db2.gz WSTKENURWLPYDL-KRWDZBQOSA-N 2 1 348.495 1.157 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cnc4ccccc4n3)nn2)CC1 ZINC000641186470 451772535 /nfs/dbraw/zinc/77/25/35/451772535.db2.gz ZDTFQRZLDIHTRT-UHFFFAOYSA-N 2 1 337.431 1.235 20 0 EDADMP CO[C@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCOCC1 ZINC000639310594 451819750 /nfs/dbraw/zinc/81/97/50/451819750.db2.gz XWZUDIFUXROJFN-VQTJNVASSA-N 2 1 348.487 1.784 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 ZINC000644529988 451843821 /nfs/dbraw/zinc/84/38/21/451843821.db2.gz WIPQRPLEXLSORK-XJKSGUPXSA-N 2 1 339.430 1.836 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 ZINC000644529988 451843825 /nfs/dbraw/zinc/84/38/25/451843825.db2.gz WIPQRPLEXLSORK-XJKSGUPXSA-N 2 1 339.430 1.836 20 0 EDADMP C[NH+](C)CC[C@@H](N)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000653347849 451858565 /nfs/dbraw/zinc/85/85/65/451858565.db2.gz SCQKMDLGGCWVCQ-CQSZACIVSA-N 2 1 339.509 1.737 20 0 EDADMP O[C@@]1(CN2CC[C@H]([NH+]3CCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639469744 451882628 /nfs/dbraw/zinc/88/26/28/451882628.db2.gz ACWWOYBHWVBPGQ-VQTJNVASSA-N 2 1 329.488 1.794 20 0 EDADMP NC(=O)CC[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639470440 451883098 /nfs/dbraw/zinc/88/30/98/451883098.db2.gz NWQAYRBLWGPZGX-ICSRJNTNSA-N 2 1 345.487 1.601 20 0 EDADMP NC(=O)CC[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639470440 451883102 /nfs/dbraw/zinc/88/31/02/451883102.db2.gz NWQAYRBLWGPZGX-ICSRJNTNSA-N 2 1 345.487 1.601 20 0 EDADMP NC(=O)CC[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639470440 451883107 /nfs/dbraw/zinc/88/31/07/451883107.db2.gz NWQAYRBLWGPZGX-ICSRJNTNSA-N 2 1 345.487 1.601 20 0 EDADMP NC(=O)CC[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639470440 451883111 /nfs/dbraw/zinc/88/31/11/451883111.db2.gz NWQAYRBLWGPZGX-ICSRJNTNSA-N 2 1 345.487 1.601 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)[C@@H](C)C1 ZINC000637469963 451886956 /nfs/dbraw/zinc/88/69/56/451886956.db2.gz GVPUDHRIPVCXAP-YQQAZPJKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)[C@@H](C)C1 ZINC000637469963 451886961 /nfs/dbraw/zinc/88/69/61/451886961.db2.gz GVPUDHRIPVCXAP-YQQAZPJKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)[C@@H](C)C1 ZINC000637469963 451886966 /nfs/dbraw/zinc/88/69/66/451886966.db2.gz GVPUDHRIPVCXAP-YQQAZPJKSA-N 2 1 338.496 1.100 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCO[C@@H]3C)CC2)CC1 ZINC000639482825 451893972 /nfs/dbraw/zinc/89/39/72/451893972.db2.gz NZKGOQOTJBQPFS-AEFFLSMTSA-N 2 1 337.508 1.678 20 0 EDADMP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)[C@@H]2C1 ZINC000646925508 451942616 /nfs/dbraw/zinc/94/26/16/451942616.db2.gz QTELKUCDGWXIDJ-UHOSZYNNSA-N 2 1 343.471 1.347 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)[C@@H]2C1 ZINC000646925508 451942620 /nfs/dbraw/zinc/94/26/20/451942620.db2.gz QTELKUCDGWXIDJ-UHOSZYNNSA-N 2 1 343.471 1.347 20 0 EDADMP Cc1cc(C)c(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c(C)n1 ZINC000639556978 451943313 /nfs/dbraw/zinc/94/33/13/451943313.db2.gz AFSNCVCGJILYNO-UHFFFAOYSA-N 2 1 333.476 1.666 20 0 EDADMP COC[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649299216 451977129 /nfs/dbraw/zinc/97/71/29/451977129.db2.gz AKUZKKFZGAQPES-HKUYNNGSSA-N 2 1 331.460 1.536 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649305964 451982909 /nfs/dbraw/zinc/98/29/09/451982909.db2.gz OYMBTXQJOSUPTA-LBPRGKRZSA-N 2 1 329.416 1.467 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649305964 451982916 /nfs/dbraw/zinc/98/29/16/451982916.db2.gz OYMBTXQJOSUPTA-LBPRGKRZSA-N 2 1 329.416 1.467 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649319671 451997942 /nfs/dbraw/zinc/99/79/42/451997942.db2.gz PZOJPPZZUMRNDY-LJQANCHMSA-N 2 1 345.487 1.593 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC000649319710 451998745 /nfs/dbraw/zinc/99/87/45/451998745.db2.gz RZUDRGLPVVXGLT-OIISXLGYSA-N 2 1 333.480 1.022 20 0 EDADMP COC[C@]1(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CCC[NH2+]1 ZINC000649322714 452001245 /nfs/dbraw/zinc/00/12/45/452001245.db2.gz HZSDXIYKMSMYRI-BEFAXECRSA-N 2 1 347.459 1.787 20 0 EDADMP C[C@H](c1ccc(NC(=O)COC2(C)C[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000649322723 452001755 /nfs/dbraw/zinc/00/17/55/452001755.db2.gz IEMFFYGMOWSNDT-CQSZACIVSA-N 2 1 333.432 1.397 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNCc2cnnn2-c2ccccc2)C[C@H](C)O1 ZINC000651670739 452004604 /nfs/dbraw/zinc/00/46/04/452004604.db2.gz UTMKRFILRXNLOK-IYBDPMFKSA-N 2 1 329.448 1.856 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000649326999 452007348 /nfs/dbraw/zinc/00/73/48/452007348.db2.gz NIUSDAJFGLERTC-CVEARBPZSA-N 2 1 331.464 1.047 20 0 EDADMP C[C@@H](CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[N@@H+](C)Cc1ccccc1 ZINC000649332316 452012477 /nfs/dbraw/zinc/01/24/77/452012477.db2.gz RRQOVMFEVREVNG-HOCLYGCPSA-N 2 1 342.447 1.063 20 0 EDADMP CC(C)C1CCC([NH+]2CCN(C(=O)[C@@]3(N)CC[N@@H+](C)C3)CC2)CC1 ZINC000649344824 452024478 /nfs/dbraw/zinc/02/44/78/452024478.db2.gz RTCCSIKFTYREMC-FAFZWHIHSA-N 2 1 336.524 1.378 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)cc(OC)c1 ZINC000649344737 452024509 /nfs/dbraw/zinc/02/45/09/452024509.db2.gz ODXYRKMNGDDOBB-DTDBQYNISA-N 2 1 345.443 1.145 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)cc(OC)c1 ZINC000649344737 452024514 /nfs/dbraw/zinc/02/45/14/452024514.db2.gz ODXYRKMNGDDOBB-DTDBQYNISA-N 2 1 345.443 1.145 20 0 EDADMP c1cc(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc(N2CCOCC2)[nH+]1 ZINC000643043964 452025089 /nfs/dbraw/zinc/02/50/89/452025089.db2.gz LHDFWJICWHMZJP-CVEARBPZSA-N 2 1 331.464 1.529 20 0 EDADMP COC[C@]1(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000649350205 452033292 /nfs/dbraw/zinc/03/32/92/452033292.db2.gz OVRYXOJFAJKIDH-IBGZPJMESA-N 2 1 346.475 1.141 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649351776 452036135 /nfs/dbraw/zinc/03/61/35/452036135.db2.gz RDXDIKFQIIBCOS-LBPRGKRZSA-N 3 1 339.390 1.017 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000649367889 452045629 /nfs/dbraw/zinc/04/56/29/452045629.db2.gz QGDMNHXFEHGDJP-OAHLLOKOSA-N 2 1 345.451 1.311 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000649371627 452047703 /nfs/dbraw/zinc/04/77/03/452047703.db2.gz YJBPJHIAGNHQFK-SFHVURJKSA-N 2 1 330.476 1.099 20 0 EDADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000649382217 452055690 /nfs/dbraw/zinc/05/56/90/452055690.db2.gz WMZKUSRDRRCFAZ-YZGWKJHDSA-N 2 1 331.504 1.863 20 0 EDADMP O=C(CN1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000649419148 452082218 /nfs/dbraw/zinc/08/22/18/452082218.db2.gz GZBJIYLDQMHGOT-RTBURBONSA-N 2 1 342.487 1.015 20 0 EDADMP [NH3+]C[C@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCCOC1 ZINC000637799845 452088973 /nfs/dbraw/zinc/08/89/73/452088973.db2.gz QWPHVWDVXYHGFI-LJQANCHMSA-N 2 1 331.460 1.476 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CCc3nnnn3-c3ccccc3)C2)CC1 ZINC000639758264 452096765 /nfs/dbraw/zinc/09/67/65/452096765.db2.gz SAFXLJHYZDFDJJ-UHFFFAOYSA-N 2 1 326.448 1.623 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000639766099 452107033 /nfs/dbraw/zinc/10/70/33/452107033.db2.gz NYWILDIHTYBCLD-FUHWJXTLSA-N 2 1 340.439 1.092 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000639766099 452107042 /nfs/dbraw/zinc/10/70/42/452107042.db2.gz NYWILDIHTYBCLD-FUHWJXTLSA-N 2 1 340.439 1.092 20 0 EDADMP c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)n(-c2ccccn2)n1 ZINC000647184562 452112167 /nfs/dbraw/zinc/11/21/67/452112167.db2.gz PKQBMXNWAHSDKA-MRXNPFEDSA-N 2 1 341.459 1.858 20 0 EDADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccnn2-c2ccccn2)CCCO1 ZINC000647206285 452124172 /nfs/dbraw/zinc/12/41/72/452124172.db2.gz NTTMKSJOFYQGSS-INIZCTEOSA-N 2 1 329.448 1.858 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccnn2-c2ccccn2)CCCO1 ZINC000647206285 452124177 /nfs/dbraw/zinc/12/41/77/452124177.db2.gz NTTMKSJOFYQGSS-INIZCTEOSA-N 2 1 329.448 1.858 20 0 EDADMP C(=C\C[N@H+]1CC[C@@H](n2cccn2)C1)\C[NH+]1CC[C@H](n2cccn2)C1 ZINC000643393330 452176606 /nfs/dbraw/zinc/17/66/06/452176606.db2.gz IEADBMDEXDJWBI-OEHAVNEVSA-N 2 1 326.448 1.830 20 0 EDADMP C(=C\C[N@@H+]1CC[C@H](n2cccn2)C1)\C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000643393330 452176617 /nfs/dbraw/zinc/17/66/17/452176617.db2.gz IEADBMDEXDJWBI-OEHAVNEVSA-N 2 1 326.448 1.830 20 0 EDADMP C(=C\C[N@H+]1CC[C@H](n2cccn2)C1)\C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000643393330 452176626 /nfs/dbraw/zinc/17/66/26/452176626.db2.gz IEADBMDEXDJWBI-OEHAVNEVSA-N 2 1 326.448 1.830 20 0 EDADMP C[C@H](CCCO)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638005869 452243457 /nfs/dbraw/zinc/24/34/57/452243457.db2.gz ZTHPSOPFHDKFST-MRXNPFEDSA-N 2 1 333.476 1.647 20 0 EDADMP [NH3+]Cc1nc(-c2ccc(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)cc2)n[nH]1 ZINC000655459016 452253400 /nfs/dbraw/zinc/25/34/00/452253400.db2.gz YFKKJPRVIOVLKF-CXAGYDPISA-N 2 1 326.404 1.259 20 0 EDADMP CCN(C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663554337 452263238 /nfs/dbraw/zinc/26/32/38/452263238.db2.gz QGXJACLHUULUQR-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CCN(C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663554337 452263245 /nfs/dbraw/zinc/26/32/45/452263245.db2.gz QGXJACLHUULUQR-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000647530647 452265986 /nfs/dbraw/zinc/26/59/86/452265986.db2.gz YDXVWKKVQSKXDF-PMACEKPBSA-N 2 1 346.446 1.812 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000647530647 452265996 /nfs/dbraw/zinc/26/59/96/452265996.db2.gz YDXVWKKVQSKXDF-PMACEKPBSA-N 2 1 346.446 1.812 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccc2c(c1)OCCO2 ZINC000641803103 452277122 /nfs/dbraw/zinc/27/71/22/452277122.db2.gz DQLRPBNHCWUIDU-MWDDYTRKSA-N 2 1 347.459 1.739 20 0 EDADMP CC[C@H](CNC(=O)N1CC2CC1(C[NH3+])C2)[N@H+]1CCc2ccccc2C1 ZINC000659433707 452278481 /nfs/dbraw/zinc/27/84/81/452278481.db2.gz FPYRFGCPECMEGJ-RVSXGSNBSA-N 2 1 342.487 1.956 20 0 EDADMP CN(CCOc1ccc(Cl)cc1)C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641809361 452287361 /nfs/dbraw/zinc/28/73/61/452287361.db2.gz WOLKNDYNQSXDON-HUUCEWRRSA-N 2 1 339.867 1.893 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000641808990 452289219 /nfs/dbraw/zinc/28/92/19/452289219.db2.gz VJXORBWKSMXFJM-HOTGVXAUSA-N 2 1 327.432 1.204 20 0 EDADMP C[C@]1(NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[NH2+]C1 ZINC000663586555 452311430 /nfs/dbraw/zinc/31/14/30/452311430.db2.gz YKNZVIAIMVORQF-SFHVURJKSA-N 2 1 332.448 1.435 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000665763587 452346058 /nfs/dbraw/zinc/34/60/58/452346058.db2.gz GIOLBPWLTHLUGY-YJBOKZPZSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000665763587 452346072 /nfs/dbraw/zinc/34/60/72/452346072.db2.gz GIOLBPWLTHLUGY-YJBOKZPZSA-N 2 1 340.512 1.469 20 0 EDADMP CCCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000665763750 452348846 /nfs/dbraw/zinc/34/88/46/452348846.db2.gz KZQJEXNBGHLCMO-IRXDYDNUSA-N 2 1 341.544 1.384 20 0 EDADMP CCCN(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000665763750 452348856 /nfs/dbraw/zinc/34/88/56/452348856.db2.gz KZQJEXNBGHLCMO-IRXDYDNUSA-N 3 1 341.544 1.384 20 0 EDADMP CCCN(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000665763750 452348866 /nfs/dbraw/zinc/34/88/66/452348866.db2.gz KZQJEXNBGHLCMO-IRXDYDNUSA-N 3 1 341.544 1.384 20 0 EDADMP CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@H]1CC[NH+](C)C1 ZINC000665763750 452348872 /nfs/dbraw/zinc/34/88/72/452348872.db2.gz KZQJEXNBGHLCMO-IRXDYDNUSA-N 3 1 341.544 1.384 20 0 EDADMP CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@H]1CC[NH+](C)C1 ZINC000665763750 452348882 /nfs/dbraw/zinc/34/88/82/452348882.db2.gz KZQJEXNBGHLCMO-IRXDYDNUSA-N 3 1 341.544 1.384 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC[N@H+]1C ZINC000652159100 452352847 /nfs/dbraw/zinc/35/28/47/452352847.db2.gz RMHXZPKUJKGYFL-HMDCTGQHSA-N 2 1 338.496 1.397 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638064870 452364357 /nfs/dbraw/zinc/36/43/57/452364357.db2.gz PEJVBENGKDKKIV-QGWWYQLQSA-N 2 1 345.487 1.897 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000638067123 452369825 /nfs/dbraw/zinc/36/98/25/452369825.db2.gz AKETWURDVJVXAV-DAYGRLMNSA-N 2 1 333.476 1.944 20 0 EDADMP COC[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638071388 452379762 /nfs/dbraw/zinc/37/97/62/452379762.db2.gz IRNADELDRXVAAH-ICSRJNTNSA-N 2 1 345.487 1.926 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000659522645 452387268 /nfs/dbraw/zinc/38/72/68/452387268.db2.gz FDSWSXLQSBVLKR-MSOLQXFVSA-N 2 1 348.491 1.570 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652224245 452416840 /nfs/dbraw/zinc/41/68/40/452416840.db2.gz WCVGXYQMCFJNON-KZNAEPCWSA-N 2 1 330.476 1.682 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652224245 452416847 /nfs/dbraw/zinc/41/68/47/452416847.db2.gz WCVGXYQMCFJNON-KZNAEPCWSA-N 2 1 330.476 1.682 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000645485068 452455033 /nfs/dbraw/zinc/45/50/33/452455033.db2.gz GFACMZKPHUGDHN-SFHVURJKSA-N 2 1 332.492 1.610 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659620788 452479252 /nfs/dbraw/zinc/47/92/52/452479252.db2.gz QBIKOVNTDXTXFA-UHFFFAOYSA-N 2 1 328.460 1.574 20 0 EDADMP c1cnn(-c2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccn2)c1 ZINC000655686956 452510818 /nfs/dbraw/zinc/51/08/18/452510818.db2.gz FWICHZQNEOZURU-KRWDZBQOSA-N 2 1 327.432 1.610 20 0 EDADMP Cc1ccc(C(=O)NCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655697625 452519056 /nfs/dbraw/zinc/51/90/56/452519056.db2.gz SVNVVYIAJKOHAT-IBGZPJMESA-N 2 1 345.487 1.958 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NCCCOc1ccccc1F)C2 ZINC000652351870 452528357 /nfs/dbraw/zinc/52/83/57/452528357.db2.gz AYTHWZTZTWUNBN-KXBFYZLASA-N 2 1 349.450 1.772 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCCCOc1ccccc1F)C2 ZINC000652351870 452528366 /nfs/dbraw/zinc/52/83/66/452528366.db2.gz AYTHWZTZTWUNBN-KXBFYZLASA-N 2 1 349.450 1.772 20 0 EDADMP O[C@]12C[C@H]1C[NH+](Cc1cc(C[N@@H+]3CC[C@@]4(O)C[C@H]4C3)ccc1F)CC2 ZINC000661720053 452528856 /nfs/dbraw/zinc/52/88/56/452528856.db2.gz GPMRBWNGTDANIE-RAUXBKROSA-N 2 1 346.446 1.739 20 0 EDADMP O[C@]12C[C@H]1C[NH+](Cc1cc(C[N@H+]3CC[C@@]4(O)C[C@H]4C3)ccc1F)CC2 ZINC000661720053 452528862 /nfs/dbraw/zinc/52/88/62/452528862.db2.gz GPMRBWNGTDANIE-RAUXBKROSA-N 2 1 346.446 1.739 20 0 EDADMP O[C@]12C[C@H]1C[NH+](Cc1ccc(F)c(C[N@@H+]3CC[C@@]4(O)C[C@H]4C3)c1)CC2 ZINC000661720053 452528872 /nfs/dbraw/zinc/52/88/72/452528872.db2.gz GPMRBWNGTDANIE-RAUXBKROSA-N 2 1 346.446 1.739 20 0 EDADMP O[C@]12C[C@H]1C[NH+](Cc1ccc(F)c(C[N@H+]3CC[C@@]4(O)C[C@H]4C3)c1)CC2 ZINC000661720053 452528877 /nfs/dbraw/zinc/52/88/77/452528877.db2.gz GPMRBWNGTDANIE-RAUXBKROSA-N 2 1 346.446 1.739 20 0 EDADMP C[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)[C@@H]1CC[NH3+] ZINC000652354591 452531095 /nfs/dbraw/zinc/53/10/95/452531095.db2.gz CNAYMWOIPDDFBB-DJIMGWMZSA-N 2 1 331.460 1.556 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)[C@@H]1CC[NH3+] ZINC000652354591 452531104 /nfs/dbraw/zinc/53/11/04/452531104.db2.gz CNAYMWOIPDDFBB-DJIMGWMZSA-N 2 1 331.460 1.556 20 0 EDADMP CCO[C@@H]1C[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000652356907 452535370 /nfs/dbraw/zinc/53/53/70/452535370.db2.gz PEZZNWJXSZQCCZ-MLGOLLRUSA-N 2 1 335.404 1.040 20 0 EDADMP CN(CC[NH+](C)C1CC1)c1cnc(N(C)CC[N@@H+](C)C2CC2)cn1 ZINC000663809929 452536475 /nfs/dbraw/zinc/53/64/75/452536475.db2.gz HCYCLESHOCYMBQ-UHFFFAOYSA-N 2 1 332.496 1.537 20 0 EDADMP O=C(CC[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc2c(c1)OCO2 ZINC000647814516 452543211 /nfs/dbraw/zinc/54/32/11/452543211.db2.gz RLLWUNCITJGSEN-UHFFFAOYSA-N 2 1 331.416 1.960 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659681616 452555296 /nfs/dbraw/zinc/55/52/96/452555296.db2.gz XSUFWWNWASONGG-CQSZACIVSA-N 2 1 338.496 1.001 20 0 EDADMP OCCC[N@H+]1CCC[C@H]1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655771103 452568828 /nfs/dbraw/zinc/56/88/28/452568828.db2.gz AGZJDUSPEJWVHU-ROUUACIJSA-N 2 1 325.497 1.066 20 0 EDADMP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)CCN1CC[NH2+]CC1 ZINC000647835066 452571190 /nfs/dbraw/zinc/57/11/90/452571190.db2.gz LHJYRWRXCLGXNA-UHFFFAOYSA-N 2 1 342.846 1.645 20 0 EDADMP CCOC1CCC([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000657883696 452589597 /nfs/dbraw/zinc/58/95/97/452589597.db2.gz FMYZPFYIWQXMOA-ADKAHSJRSA-N 2 1 325.497 1.330 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654569425 452654618 /nfs/dbraw/zinc/65/46/18/452654618.db2.gz IDDHMNRPUVEOQL-VVLHAWIVSA-N 2 1 342.528 1.904 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654569425 452654626 /nfs/dbraw/zinc/65/46/26/452654626.db2.gz IDDHMNRPUVEOQL-VVLHAWIVSA-N 2 1 342.528 1.904 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654569425 452654634 /nfs/dbraw/zinc/65/46/34/452654634.db2.gz IDDHMNRPUVEOQL-VVLHAWIVSA-N 2 1 342.528 1.904 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654569425 452654640 /nfs/dbraw/zinc/65/46/40/452654640.db2.gz IDDHMNRPUVEOQL-VVLHAWIVSA-N 2 1 342.528 1.904 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654569425 452654648 /nfs/dbraw/zinc/65/46/48/452654648.db2.gz IDDHMNRPUVEOQL-VVLHAWIVSA-N 2 1 342.528 1.904 20 0 EDADMP C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000655921579 452684733 /nfs/dbraw/zinc/68/47/33/452684733.db2.gz MDCGHGXZDSKONZ-GMXVVIOVSA-N 2 1 336.402 1.828 20 0 EDADMP Cc1[nH]c2nc[nH+]c(N3CCC(CO)([NH2+]CC4CC4)CC3)c2c1C ZINC000663988578 452692101 /nfs/dbraw/zinc/69/21/01/452692101.db2.gz HEOGYQNOTBODHQ-UHFFFAOYSA-N 2 1 329.448 1.906 20 0 EDADMP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000647962086 452705232 /nfs/dbraw/zinc/70/52/32/452705232.db2.gz MRAUMHRQCJCWCM-NSDNCLLMSA-N 2 1 347.503 1.257 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000647962086 452705240 /nfs/dbraw/zinc/70/52/40/452705240.db2.gz MRAUMHRQCJCWCM-NSDNCLLMSA-N 2 1 347.503 1.257 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000647966302 452710346 /nfs/dbraw/zinc/71/03/46/452710346.db2.gz LIURUCLJDALXQZ-LJQANCHMSA-N 2 1 334.508 1.333 20 0 EDADMP [NH3+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655958482 452736736 /nfs/dbraw/zinc/73/67/36/452736736.db2.gz LBDVVYGPHODTGS-HOTGVXAUSA-N 2 1 330.432 1.217 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccnn2-c2ccccn2)CC1 ZINC000648007395 452749573 /nfs/dbraw/zinc/74/95/73/452749573.db2.gz GFBKXAJORZEHCS-INIZCTEOSA-N 2 1 343.475 1.792 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971031 452751799 /nfs/dbraw/zinc/75/17/99/452751799.db2.gz QFBWYFDMNLORDP-CUSZFKRNSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971031 452751808 /nfs/dbraw/zinc/75/18/08/452751808.db2.gz QFBWYFDMNLORDP-CUSZFKRNSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3[NH2+]CC3(C)C)c2)CCO1 ZINC000645750270 452752075 /nfs/dbraw/zinc/75/20/75/452752075.db2.gz PGLANGXCJKTBLB-PBHICJAKSA-N 2 1 331.460 1.522 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3[NH2+]CC3(C)C)c2)CCO1 ZINC000645750270 452752086 /nfs/dbraw/zinc/75/20/86/452752086.db2.gz PGLANGXCJKTBLB-PBHICJAKSA-N 2 1 331.460 1.522 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@H+]1CCOC ZINC000654662501 452777046 /nfs/dbraw/zinc/77/70/46/452777046.db2.gz QZIDHLAYHRSMQT-ZACQAIPSSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654665463 452777671 /nfs/dbraw/zinc/77/76/71/452777671.db2.gz JCCVGAJWBPXFNF-YQQAZPJKSA-N 2 1 338.496 1.221 20 0 EDADMP C[N@H+]1C[C@@H](C[NH2+]C[C@H]2CNc3ccnn3C2)[C@H](c2ccccc2)C1 ZINC000648068404 452797016 /nfs/dbraw/zinc/79/70/16/452797016.db2.gz WQDLZKVMOJIXRV-JQHSSLGASA-N 2 1 325.460 1.860 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)cn2cc[nH+]c12 ZINC000652642336 452799743 /nfs/dbraw/zinc/79/97/43/452799743.db2.gz KPMBOPBDAXZEQU-UHFFFAOYSA-N 2 1 329.404 1.087 20 0 EDADMP CO[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)[C@@H]1CCOC1 ZINC000659911503 452800293 /nfs/dbraw/zinc/80/02/93/452800293.db2.gz YNOFQJDELPQKPH-KZNAEPCWSA-N 2 1 325.497 1.140 20 0 EDADMP CC[N@@H+](CCCNC(=O)C(=O)NCC(C)(C)[NH3+])C1CCCCC1 ZINC000652700792 452850326 /nfs/dbraw/zinc/85/03/26/452850326.db2.gz WFSIIRLHEPLUCW-UHFFFAOYSA-N 2 1 326.485 1.001 20 0 EDADMP CC(C)NC(=O)[C@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000662118978 452857679 /nfs/dbraw/zinc/85/76/79/452857679.db2.gz NPRUNDMBSQPXNT-SFHVURJKSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)c1nnc2c(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nccn21 ZINC000664196451 452869555 /nfs/dbraw/zinc/86/95/55/452869555.db2.gz TYSRJYFMFGVGRL-AWEZNQCLSA-N 2 1 333.484 1.932 20 0 EDADMP CC(C)c1nnc2c(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nccn21 ZINC000664196451 452869564 /nfs/dbraw/zinc/86/95/64/452869564.db2.gz TYSRJYFMFGVGRL-AWEZNQCLSA-N 2 1 333.484 1.932 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000654749392 452879914 /nfs/dbraw/zinc/87/99/14/452879914.db2.gz OXXOBXDVVNBGOU-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000654749392 452879919 /nfs/dbraw/zinc/87/99/19/452879919.db2.gz OXXOBXDVVNBGOU-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000654749392 452879923 /nfs/dbraw/zinc/87/99/23/452879923.db2.gz OXXOBXDVVNBGOU-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)Nc1ccc(F)cc1 ZINC000662152252 452889315 /nfs/dbraw/zinc/88/93/15/452889315.db2.gz AQEDJEXXARFKHS-QGZVFWFLSA-N 2 1 335.423 1.685 20 0 EDADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)Nc1ccc(F)cc1 ZINC000662152252 452889325 /nfs/dbraw/zinc/88/93/25/452889325.db2.gz AQEDJEXXARFKHS-QGZVFWFLSA-N 2 1 335.423 1.685 20 0 EDADMP COc1cccc(NC(=O)CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662154948 452891958 /nfs/dbraw/zinc/89/19/58/452891958.db2.gz ZNJPEAFNAYFTKL-QGZVFWFLSA-N 2 1 347.459 1.555 20 0 EDADMP COc1cccc(NC(=O)CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662154948 452891964 /nfs/dbraw/zinc/89/19/64/452891964.db2.gz ZNJPEAFNAYFTKL-QGZVFWFLSA-N 2 1 347.459 1.555 20 0 EDADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000650719533 452949740 /nfs/dbraw/zinc/94/97/40/452949740.db2.gz SYCJETLZXSABCF-UHFFFAOYSA-N 3 1 340.475 1.238 20 0 EDADMP CN(C)C(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)[nH]1 ZINC000650723828 452951496 /nfs/dbraw/zinc/95/14/96/452951496.db2.gz URYHRUIAMCXLEJ-KBRIMQKVSA-N 2 1 334.464 1.577 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H](C[NH3+])c3ccccc3)C2)CC1 ZINC000645977712 452965340 /nfs/dbraw/zinc/96/53/40/452965340.db2.gz JKHIMQZNRNBJQY-FUHWJXTLSA-N 2 1 330.476 1.014 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H](C[NH3+])c3ccccc3)C2)CC1 ZINC000645977712 452965346 /nfs/dbraw/zinc/96/53/46/452965346.db2.gz JKHIMQZNRNBJQY-FUHWJXTLSA-N 2 1 330.476 1.014 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1)c1ccccc1 ZINC000662255813 452985891 /nfs/dbraw/zinc/98/58/91/452985891.db2.gz DQXQOPQMXSXUGI-ZWKOTPCHSA-N 2 1 343.471 1.792 20 0 EDADMP COCC[N@@H+](CCOc1ccc(F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258933 452987980 /nfs/dbraw/zinc/98/79/80/452987980.db2.gz YOMMNTDNQNPMAQ-QGZVFWFLSA-N 2 1 338.423 1.674 20 0 EDADMP FC1(F)Oc2ccc(CC[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2O1 ZINC000662277457 453001536 /nfs/dbraw/zinc/00/15/36/453001536.db2.gz UYQOHFQYEJYZGJ-CQSZACIVSA-N 2 1 339.386 1.530 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000662274012 453002993 /nfs/dbraw/zinc/00/29/93/453002993.db2.gz RLLVLURFGLIPCK-UHFFFAOYSA-N 2 1 339.505 1.936 20 0 EDADMP c1nc([C@H]2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n2c1CCCC2 ZINC000662282824 453007113 /nfs/dbraw/zinc/00/71/13/453007113.db2.gz QWYHGJNMNTXUBB-RDJZCZTQSA-N 2 1 330.476 1.920 20 0 EDADMP Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000662293551 453017131 /nfs/dbraw/zinc/01/71/31/453017131.db2.gz LWFGXAIOBRBQOQ-IAGOWNOFSA-N 2 1 345.491 1.545 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)CO)CC2)CC1 ZINC000654930448 453044137 /nfs/dbraw/zinc/04/41/37/453044137.db2.gz IZQASNRVAHUUJW-UHFFFAOYSA-N 2 1 325.497 1.317 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)on1 ZINC000662337612 453055213 /nfs/dbraw/zinc/05/52/13/453055213.db2.gz MAKDPBPKWCVSGN-AWEZNQCLSA-N 2 1 330.436 1.495 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c2cccs2)CC1 ZINC000662347685 453063680 /nfs/dbraw/zinc/06/36/80/453063680.db2.gz JFFGTUORRMCJNU-ILXRZTDVSA-N 2 1 336.505 1.280 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666697354 453075594 /nfs/dbraw/zinc/07/55/94/453075594.db2.gz MRJQAQDXJNIIRN-AWEZNQCLSA-N 2 1 346.475 1.711 20 0 EDADMP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065575 453076432 /nfs/dbraw/zinc/07/64/32/453076432.db2.gz WBCUJKVBEZZHIK-CGTJXYLNSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065575 453076443 /nfs/dbraw/zinc/07/64/43/453076443.db2.gz WBCUJKVBEZZHIK-CGTJXYLNSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662386375 453094565 /nfs/dbraw/zinc/09/45/65/453094565.db2.gz FTSHNZVSDTUAAW-XHSDSOJGSA-N 2 1 347.507 1.975 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662387711 453096562 /nfs/dbraw/zinc/09/65/62/453096562.db2.gz HPVBLQWZRSZZQL-HUUCEWRRSA-N 2 1 333.480 1.729 20 0 EDADMP Cc1cccc(OC[C@H](O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646103417 453103700 /nfs/dbraw/zinc/10/37/00/453103700.db2.gz RKIBEQPMXSMDRT-QGZVFWFLSA-N 2 1 334.460 1.531 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660179493 453107760 /nfs/dbraw/zinc/10/77/60/453107760.db2.gz KWQRIVFELXRUQO-INIZCTEOSA-N 2 1 331.526 1.370 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000666754436 453117684 /nfs/dbraw/zinc/11/76/84/453117684.db2.gz NHDIWPLEYPBLAC-IRXDYDNUSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000666754343 453118965 /nfs/dbraw/zinc/11/89/65/453118965.db2.gz LGFXKKNLJZYARJ-SJORKVTESA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)C[C@H](C)[NH2+]1 ZINC000662415994 453125769 /nfs/dbraw/zinc/12/57/69/453125769.db2.gz PQBNMUJQVISTKS-GBIKHYSHSA-N 2 1 326.238 1.658 20 0 EDADMP C[C@H]1CN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC[C@H]1[NH3+] ZINC000662419480 453129887 /nfs/dbraw/zinc/12/98/87/453129887.db2.gz IROOZHQWIVTTLL-IONNQARKSA-N 2 1 344.278 1.923 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000662460101 453169038 /nfs/dbraw/zinc/16/90/38/453169038.db2.gz PYTPEWITJUZBKG-ZACQAIPSSA-N 2 1 325.497 1.852 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(C[NH3+])cc3)C2)CC1 ZINC000646188810 453201607 /nfs/dbraw/zinc/20/16/07/453201607.db2.gz MJXZUPBNPCDXGI-QGZVFWFLSA-N 2 1 345.491 1.113 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NCc3ccc(C[NH3+])cc3)C2)CC1 ZINC000646188810 453201617 /nfs/dbraw/zinc/20/16/17/453201617.db2.gz MJXZUPBNPCDXGI-QGZVFWFLSA-N 2 1 345.491 1.113 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000660362635 453247985 /nfs/dbraw/zinc/24/79/85/453247985.db2.gz RKQQEVPWXCMGHI-SFHVURJKSA-N 2 1 345.491 1.830 20 0 EDADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2csc(C[NH3+])n2)CC1 ZINC000646262436 453268540 /nfs/dbraw/zinc/26/85/40/453268540.db2.gz VXZMUVYCUCXLFS-LBPRGKRZSA-N 2 1 345.472 1.952 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000660395120 453269461 /nfs/dbraw/zinc/26/94/61/453269461.db2.gz AACBAZCBGYFEHV-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000648804070 453289179 /nfs/dbraw/zinc/28/91/79/453289179.db2.gz RNXDNKDBCYEISG-SZVBFZGTSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000648804070 453289191 /nfs/dbraw/zinc/28/91/91/453289191.db2.gz RNXDNKDBCYEISG-SZVBFZGTSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000648804070 453289196 /nfs/dbraw/zinc/28/91/96/453289196.db2.gz RNXDNKDBCYEISG-SZVBFZGTSA-N 2 1 331.460 1.080 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653109188 453293167 /nfs/dbraw/zinc/29/31/67/453293167.db2.gz WVPMIDMQAMJBKX-RBUKOAKNSA-N 2 1 343.471 1.666 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000653112469 453300240 /nfs/dbraw/zinc/30/02/40/453300240.db2.gz ZLPFMULCHWBJJC-ROUUACIJSA-N 2 1 332.492 1.436 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H](C)C1 ZINC000653120612 453311187 /nfs/dbraw/zinc/31/11/87/453311187.db2.gz VAYPBKPISNMFTM-MWDXBVQZSA-N 2 1 325.497 1.757 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3CCC[NH2+]CC3)CC2)nc(C)[nH+]1 ZINC000653123397 453315199 /nfs/dbraw/zinc/31/51/99/453315199.db2.gz XJJVVSNGEHAWEF-HNNXBMFYSA-N 2 1 331.464 1.568 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000651194770 453347145 /nfs/dbraw/zinc/34/71/45/453347145.db2.gz QCZHGWHUMYKXBW-KRWDZBQOSA-N 2 1 341.544 1.290 20 0 EDADMP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000651194770 453347153 /nfs/dbraw/zinc/34/71/53/453347153.db2.gz QCZHGWHUMYKXBW-KRWDZBQOSA-N 2 1 341.544 1.290 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000651194770 453347161 /nfs/dbraw/zinc/34/71/61/453347161.db2.gz QCZHGWHUMYKXBW-KRWDZBQOSA-N 2 1 341.544 1.290 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000664719123 453347673 /nfs/dbraw/zinc/34/76/73/453347673.db2.gz NWTVLKUWKNKTNE-AWEZNQCLSA-N 2 1 336.484 1.443 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)nn1 ZINC000667040495 453357455 /nfs/dbraw/zinc/35/74/55/453357455.db2.gz UVWWVPKMIOHOJL-GOEBONIOSA-N 2 1 327.432 1.940 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1Cc2cccc(O)c2C1 ZINC000664755294 453378697 /nfs/dbraw/zinc/37/86/97/453378697.db2.gz XSGASADBFSTQGE-HOCLYGCPSA-N 2 1 348.491 1.431 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1Cc2cccc(O)c2C1 ZINC000664755294 453378706 /nfs/dbraw/zinc/37/87/06/453378706.db2.gz XSGASADBFSTQGE-HOCLYGCPSA-N 2 1 348.491 1.431 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3nc(C)cn3c2)C1 ZINC000658779719 453386616 /nfs/dbraw/zinc/38/66/16/453386616.db2.gz VXECWAODABKEMP-AWEZNQCLSA-N 2 1 329.404 1.182 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000660541962 453387388 /nfs/dbraw/zinc/38/73/88/453387388.db2.gz LHXNROCTQXCEFN-XYPWUTKMSA-N 2 1 337.489 1.652 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000660541962 453387396 /nfs/dbraw/zinc/38/73/96/453387396.db2.gz LHXNROCTQXCEFN-XYPWUTKMSA-N 2 1 337.489 1.652 20 0 EDADMP CNS(=O)(=O)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000660541962 453387405 /nfs/dbraw/zinc/38/74/05/453387405.db2.gz LHXNROCTQXCEFN-XYPWUTKMSA-N 2 1 337.489 1.652 20 0 EDADMP CNS(=O)(=O)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000660541962 453387410 /nfs/dbraw/zinc/38/74/10/453387410.db2.gz LHXNROCTQXCEFN-XYPWUTKMSA-N 2 1 337.489 1.652 20 0 EDADMP C[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[N@H+]1CCCC[C@H]1C ZINC000662679498 453399884 /nfs/dbraw/zinc/39/98/84/453399884.db2.gz PEYJKQIXGMZFMK-KGLIPLIRSA-N 2 1 334.468 1.195 20 0 EDADMP C[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[N@H+]1CCCC[C@@H]1C ZINC000662679499 453399907 /nfs/dbraw/zinc/39/99/07/453399907.db2.gz PEYJKQIXGMZFMK-UONOGXRCSA-N 2 1 334.468 1.195 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000662699385 453419481 /nfs/dbraw/zinc/41/94/81/453419481.db2.gz QDVMLOISKKZFLA-BMFZPTHFSA-N 2 1 337.489 1.440 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000662750864 453485300 /nfs/dbraw/zinc/48/53/00/453485300.db2.gz UYZIQLOMYBXCNF-NXHRZFHOSA-N 2 1 331.460 1.473 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660654667 453489778 /nfs/dbraw/zinc/48/97/78/453489778.db2.gz HRMKZCRVHGOLFG-UYAOXDASSA-N 2 1 348.487 1.990 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660653297 453490822 /nfs/dbraw/zinc/49/08/22/453490822.db2.gz ALKQEBAVDMLGKH-UYAOXDASSA-N 2 1 348.487 1.990 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660653297 453490829 /nfs/dbraw/zinc/49/08/29/453490829.db2.gz ALKQEBAVDMLGKH-UYAOXDASSA-N 2 1 348.487 1.990 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660653297 453490833 /nfs/dbraw/zinc/49/08/33/453490833.db2.gz ALKQEBAVDMLGKH-UYAOXDASSA-N 2 1 348.487 1.990 20 0 EDADMP [NH3+][C@H]1C[C@H](C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000662755395 453491771 /nfs/dbraw/zinc/49/17/71/453491771.db2.gz APBPLLMKHGEXHM-WGSAOQKQSA-N 2 1 344.503 1.438 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000662786889 453520497 /nfs/dbraw/zinc/52/04/97/453520497.db2.gz ZNEIALAHNFUZQP-ROUUACIJSA-N 2 1 347.459 1.093 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662793411 453528446 /nfs/dbraw/zinc/52/84/46/453528446.db2.gz GZSGPGKJPJWFKT-GOEBONIOSA-N 2 1 332.448 1.698 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000660740632 453557466 /nfs/dbraw/zinc/55/74/66/453557466.db2.gz RIZXJJFNRGYUGM-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660740632 453557467 /nfs/dbraw/zinc/55/74/67/453557467.db2.gz RIZXJJFNRGYUGM-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660740632 453557469 /nfs/dbraw/zinc/55/74/69/453557469.db2.gz RIZXJJFNRGYUGM-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)C2)C1 ZINC000659041909 453595972 /nfs/dbraw/zinc/59/59/72/453595972.db2.gz JVFBCRXZMMUYPE-IEBWSBKVSA-N 2 1 344.459 1.907 20 0 EDADMP C[N@@H+]1CCc2[nH]c3ccc(C(=O)N4CCC[NH+](C)CC4)cc3c2C1 ZINC000665162052 453596701 /nfs/dbraw/zinc/59/67/01/453596701.db2.gz YANOXUYPLUWTKJ-UHFFFAOYSA-N 2 1 326.444 1.934 20 0 EDADMP C[N@H+]1CCc2[nH]c3ccc(C(=O)N4CCC[NH+](C)CC4)cc3c2C1 ZINC000665162052 453596702 /nfs/dbraw/zinc/59/67/02/453596702.db2.gz YANOXUYPLUWTKJ-UHFFFAOYSA-N 2 1 326.444 1.934 20 0 EDADMP C[NH+]1CCc2[nH]c3ccc(C(=O)N4CCC[N@H+](C)CC4)cc3c2C1 ZINC000665162052 453596703 /nfs/dbraw/zinc/59/67/03/453596703.db2.gz YANOXUYPLUWTKJ-UHFFFAOYSA-N 2 1 326.444 1.934 20 0 EDADMP C[NH+]1CCc2[nH]c3ccc(C(=O)N4CCC[N@@H+](C)CC4)cc3c2C1 ZINC000665162052 453596704 /nfs/dbraw/zinc/59/67/04/453596704.db2.gz YANOXUYPLUWTKJ-UHFFFAOYSA-N 2 1 326.444 1.934 20 0 EDADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290620 453637382 /nfs/dbraw/zinc/63/73/82/453637382.db2.gz FOPVNWXXHOVAKD-LBPRGKRZSA-N 2 1 343.431 1.710 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C2CCC2)CC1 ZINC000661153542 453737527 /nfs/dbraw/zinc/73/75/27/453737527.db2.gz IRMSTQWKYHHDEU-VQIMIIECSA-N 2 1 345.487 1.642 20 0 EDADMP CCN1CC[NH+](CCCC[NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657308532 453763241 /nfs/dbraw/zinc/76/32/41/453763241.db2.gz UOHGGJRDEOTGDQ-UHFFFAOYSA-N 2 1 347.429 1.946 20 0 EDADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000663362882 453778967 /nfs/dbraw/zinc/77/89/67/453778967.db2.gz DMAQPUXBPKSTHR-RBUKOAKNSA-N 2 1 348.487 1.886 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[NH+](C)C ZINC000661273886 453780359 /nfs/dbraw/zinc/78/03/59/453780359.db2.gz AZQYUURZQDBRJK-WMZOPIPTSA-N 2 1 347.507 1.052 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[NH+](C)C ZINC000661273886 453780361 /nfs/dbraw/zinc/78/03/61/453780361.db2.gz AZQYUURZQDBRJK-WMZOPIPTSA-N 2 1 347.507 1.052 20 0 EDADMP CC(CC[NH+]1CCc2c[nH]nc2C1)CC[N@H+]1CCc2c[nH]nc2C1 ZINC000663371572 453782081 /nfs/dbraw/zinc/78/20/81/453782081.db2.gz GEEKHJQSAHLBCP-UHFFFAOYSA-N 2 1 328.464 1.966 20 0 EDADMP CCN1CC[NH+](CCNc2cc[nH+]c3cc(OC)c(OC)cc23)CC1 ZINC000663396686 453788889 /nfs/dbraw/zinc/78/88/89/453788889.db2.gz HJWVEPDBZLVFTQ-UHFFFAOYSA-N 2 1 344.459 1.723 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc1)C(C)C ZINC000663488243 453808316 /nfs/dbraw/zinc/80/83/16/453808316.db2.gz QYVUVQCRWGPVBD-UHFFFAOYSA-N 2 1 331.460 1.731 20 0 EDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[NH2+]1 ZINC000663512507 453813406 /nfs/dbraw/zinc/81/34/06/453813406.db2.gz NUMUHUPWEHETJE-BRWVUGGUSA-N 3 1 346.523 1.387 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000676245130 486704974 /nfs/dbraw/zinc/70/49/74/486704974.db2.gz FKWMPYRHRHWPRE-GVDBMIGSSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676245130 486704977 /nfs/dbraw/zinc/70/49/77/486704977.db2.gz FKWMPYRHRHWPRE-GVDBMIGSSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676245130 486704981 /nfs/dbraw/zinc/70/49/81/486704981.db2.gz FKWMPYRHRHWPRE-GVDBMIGSSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676245130 486704985 /nfs/dbraw/zinc/70/49/85/486704985.db2.gz FKWMPYRHRHWPRE-GVDBMIGSSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676245130 486704989 /nfs/dbraw/zinc/70/49/89/486704989.db2.gz FKWMPYRHRHWPRE-GVDBMIGSSA-N 2 1 340.512 1.659 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000676249479 486708854 /nfs/dbraw/zinc/70/88/54/486708854.db2.gz BAOYBVIZMFTUCB-ARFHVFGLSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000676249479 486708858 /nfs/dbraw/zinc/70/88/58/486708858.db2.gz BAOYBVIZMFTUCB-ARFHVFGLSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000676249479 486708862 /nfs/dbraw/zinc/70/88/62/486708862.db2.gz BAOYBVIZMFTUCB-ARFHVFGLSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000676249479 486708867 /nfs/dbraw/zinc/70/88/67/486708867.db2.gz BAOYBVIZMFTUCB-ARFHVFGLSA-N 2 1 326.485 1.125 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672822760 486811770 /nfs/dbraw/zinc/81/17/70/486811770.db2.gz HPZJHSJMUWDYEY-UHFFFAOYSA-N 2 1 342.528 1.597 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000683910690 486862950 /nfs/dbraw/zinc/86/29/50/486862950.db2.gz KXNMYDBXFLQARX-PKOBYXMFSA-N 2 1 333.476 1.595 20 0 EDADMP C[C@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1C[N@H+](C)CCO1 ZINC000667833655 486985753 /nfs/dbraw/zinc/98/57/53/486985753.db2.gz PEKJVRAOPYGVCS-NHYWBVRUSA-N 2 1 336.411 1.312 20 0 EDADMP C[C@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1C[N@@H+](C)CCO1 ZINC000667833655 486985757 /nfs/dbraw/zinc/98/57/57/486985757.db2.gz PEKJVRAOPYGVCS-NHYWBVRUSA-N 2 1 336.411 1.312 20 0 EDADMP CC[NH+]1CCN(c2nc(N3CC[N@H+](CC)[C@H](C)C3)ncc2C)C[C@H]1C ZINC000677153819 486987692 /nfs/dbraw/zinc/98/76/92/486987692.db2.gz WIPKSKOGYACEAC-IAGOWNOFSA-N 2 1 346.523 1.846 20 0 EDADMP CC[NH+]1CCN(c2ncc(C)c(N3CC[N@H+](CC)[C@H](C)C3)n2)C[C@H]1C ZINC000677153819 486987694 /nfs/dbraw/zinc/98/76/94/486987694.db2.gz WIPKSKOGYACEAC-IAGOWNOFSA-N 2 1 346.523 1.846 20 0 EDADMP CC[NH+]1CCN(c2ncc(C)c(N3CC[N@@H+](CC)[C@H](C)C3)n2)C[C@H]1C ZINC000677153819 486987696 /nfs/dbraw/zinc/98/76/96/486987696.db2.gz WIPKSKOGYACEAC-IAGOWNOFSA-N 2 1 346.523 1.846 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000684478707 487072690 /nfs/dbraw/zinc/07/26/90/487072690.db2.gz LRQXGDDPLKSLOR-UHFFFAOYSA-N 2 1 330.436 1.389 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000684478707 487072694 /nfs/dbraw/zinc/07/26/94/487072694.db2.gz LRQXGDDPLKSLOR-UHFFFAOYSA-N 2 1 330.436 1.389 20 0 EDADMP C[C@@H](C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)[NH+](C)C ZINC000674287882 487228766 /nfs/dbraw/zinc/22/87/66/487228766.db2.gz PHSLRYUTJDVKGA-KRWDZBQOSA-N 2 1 332.492 1.213 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)[N@H+](C)C1 ZINC000500353788 487394763 /nfs/dbraw/zinc/39/47/63/487394763.db2.gz CFVSHBBFIWNDQF-XHSDSOJGSA-N 2 1 339.867 1.778 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)[N@@H+](C)C1 ZINC000500353788 487394765 /nfs/dbraw/zinc/39/47/65/487394765.db2.gz CFVSHBBFIWNDQF-XHSDSOJGSA-N 2 1 339.867 1.778 20 0 EDADMP C[C@@H](C(=O)Nc1cc(NC(=O)[C@H](C)[NH+](C)C)c(F)cc1F)[NH+](C)C ZINC000675348318 487400471 /nfs/dbraw/zinc/40/04/71/487400471.db2.gz FIDVIRXBXCUSRU-UWVGGRQHSA-N 2 1 342.390 1.742 20 0 EDADMP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000682642225 487400752 /nfs/dbraw/zinc/40/07/52/487400752.db2.gz YZXPQSQDPHVMOS-XBMUEBEBSA-N 2 1 337.508 1.474 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@@]12CCCO2 ZINC000679722150 487461588 /nfs/dbraw/zinc/46/15/88/487461588.db2.gz WMAJMUKRAXUQHC-HCXYKTFWSA-N 2 1 338.492 1.946 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669519455 485485013 /nfs/dbraw/zinc/48/50/13/485485013.db2.gz BMAZHRUCDXFOTK-RKVPGOIHSA-N 2 1 331.460 1.933 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000669521664 485490954 /nfs/dbraw/zinc/49/09/54/485490954.db2.gz DVQWTFZNPDWAIC-NJAFHUGGSA-N 2 1 346.475 1.327 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000668962983 485499438 /nfs/dbraw/zinc/49/94/38/485499438.db2.gz GQDXMROACYKBOA-QKPAOTATSA-N 2 1 340.512 1.643 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000668962983 485499441 /nfs/dbraw/zinc/49/94/41/485499441.db2.gz GQDXMROACYKBOA-QKPAOTATSA-N 2 1 340.512 1.643 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324187564 485509650 /nfs/dbraw/zinc/50/96/50/485509650.db2.gz JMCCRTQTXDELPB-WMLDXEAASA-N 2 1 327.428 1.747 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324187564 485509658 /nfs/dbraw/zinc/50/96/58/485509658.db2.gz JMCCRTQTXDELPB-WMLDXEAASA-N 2 1 327.428 1.747 20 0 EDADMP C[C@@H](NC(=O)NC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000669554650 485554319 /nfs/dbraw/zinc/55/43/19/485554319.db2.gz IKRZXJFSGVJHKZ-NVXWUHKLSA-N 2 1 330.476 1.948 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000669555922 485557084 /nfs/dbraw/zinc/55/70/84/485557084.db2.gz OQKVNYFNYJKHQI-GDBMZVCRSA-N 2 1 331.464 1.869 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000669555923 485557992 /nfs/dbraw/zinc/55/79/92/485557992.db2.gz OQKVNYFNYJKHQI-GOEBONIOSA-N 2 1 331.464 1.869 20 0 EDADMP C[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C[N@H+]1CCO ZINC000669574529 485612865 /nfs/dbraw/zinc/61/28/65/485612865.db2.gz ZSLYAZNZAFOPJH-SJORKVTESA-N 2 1 335.492 1.514 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CN1CCO ZINC000669574529 485612869 /nfs/dbraw/zinc/61/28/69/485612869.db2.gz ZSLYAZNZAFOPJH-SJORKVTESA-N 2 1 335.492 1.514 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CN1CCO ZINC000669574529 485612873 /nfs/dbraw/zinc/61/28/73/485612873.db2.gz ZSLYAZNZAFOPJH-SJORKVTESA-N 2 1 335.492 1.514 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000669588629 485643486 /nfs/dbraw/zinc/64/34/86/485643486.db2.gz VSFQUFXPMXNEKQ-DLBZAZTESA-N 2 1 343.475 1.884 20 0 EDADMP COC[C@@H](NCC(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000672602850 485937960 /nfs/dbraw/zinc/93/79/60/485937960.db2.gz FSPDKYPCHIJGEN-CQSZACIVSA-N 2 1 343.830 1.530 20 0 EDADMP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000420304080 485938401 /nfs/dbraw/zinc/93/84/01/485938401.db2.gz INSJDQIVYYWOMS-USXIJHARSA-N 2 1 345.443 1.861 20 0 EDADMP CCOC(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000420304080 485938408 /nfs/dbraw/zinc/93/84/08/485938408.db2.gz INSJDQIVYYWOMS-USXIJHARSA-N 2 1 345.443 1.861 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000668667954 486019134 /nfs/dbraw/zinc/01/91/34/486019134.db2.gz KZCVBHMSIZPNBO-LJQANCHMSA-N 2 1 345.487 1.657 20 0 EDADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672844050 486038881 /nfs/dbraw/zinc/03/88/81/486038881.db2.gz SRHDEQCIXLITBV-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669405539 486076736 /nfs/dbraw/zinc/07/67/36/486076736.db2.gz QMGYJBYHWKIJFY-DZGCQCFKSA-N 2 1 334.489 1.500 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669405539 486076739 /nfs/dbraw/zinc/07/67/39/486076739.db2.gz QMGYJBYHWKIJFY-DZGCQCFKSA-N 2 1 334.489 1.500 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000668727682 486095033 /nfs/dbraw/zinc/09/50/33/486095033.db2.gz NOFTZZSIHASYOK-WBVHZDCISA-N 2 1 326.485 1.032 20 0 EDADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342098629 490996228 /nfs/dbraw/zinc/99/62/28/490996228.db2.gz ILAOJTFGJLLREP-UKTARXLSSA-N 2 1 348.422 1.922 20 0 EDADMP [NH3+]Cc1nc(-c2ccc(NC(=O)CC[C@@H]3CCC[NH2+]C3)cc2)n[nH]1 ZINC000621656028 491003476 /nfs/dbraw/zinc/00/34/76/491003476.db2.gz FPYRJUXTIMEWHT-LBPRGKRZSA-N 2 1 328.420 1.649 20 0 EDADMP CN(CCCC[NH+](C)C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000081789650 491180999 /nfs/dbraw/zinc/18/09/99/491180999.db2.gz AQXLBHAKGQSLNT-SFHVURJKSA-N 2 1 333.476 1.688 20 0 EDADMP CN(CCCC[NH+](C)C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000081789650 491181003 /nfs/dbraw/zinc/18/10/03/491181003.db2.gz AQXLBHAKGQSLNT-SFHVURJKSA-N 2 1 333.476 1.688 20 0 EDADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1)[N@@H+](C)C1CC1 ZINC000171645743 533941022 /nfs/dbraw/zinc/94/10/22/533941022.db2.gz WEVOVRUPKJYZSS-HNNXBMFYSA-N 2 1 345.491 1.828 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C1CC1 ZINC000132726041 534014448 /nfs/dbraw/zinc/01/44/48/534014448.db2.gz FMORXNZIXRKJIK-YJBOKZPZSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C1CC1 ZINC000132726041 534014449 /nfs/dbraw/zinc/01/44/49/534014449.db2.gz FMORXNZIXRKJIK-YJBOKZPZSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)[N@H+](C)C1CC1 ZINC000132726041 534014454 /nfs/dbraw/zinc/01/44/54/534014454.db2.gz FMORXNZIXRKJIK-YJBOKZPZSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)[N@@H+](C)C1CC1 ZINC000132726041 534014462 /nfs/dbraw/zinc/01/44/62/534014462.db2.gz FMORXNZIXRKJIK-YJBOKZPZSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000154932658 534046809 /nfs/dbraw/zinc/04/68/09/534046809.db2.gz HOMXSTQJRRNEAI-HOTGVXAUSA-N 2 1 348.491 1.872 20 0 EDADMP C[C@H](O)CC[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000173818153 534061820 /nfs/dbraw/zinc/06/18/20/534061820.db2.gz GORSECCNKYWDLN-INIZCTEOSA-N 2 1 333.476 1.601 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000183388032 534272265 /nfs/dbraw/zinc/27/22/65/534272265.db2.gz BJDRIRKKKRKHKI-ZDUSSCGKSA-N 2 1 333.432 1.874 20 0 EDADMP CC[N@H+]1CC[C@@H](NCc2cccnc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000158461057 527801534 /nfs/dbraw/zinc/80/15/34/527801534.db2.gz KMFPHCPPAPDKFB-SJLPKXTDSA-N 2 1 331.508 1.653 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H]1C ZINC000168038514 528736294 /nfs/dbraw/zinc/73/62/94/528736294.db2.gz MDZKQNHGTDHMTB-OAHLLOKOSA-N 2 1 331.460 1.052 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H]1C ZINC000168038514 528736299 /nfs/dbraw/zinc/73/62/99/528736299.db2.gz MDZKQNHGTDHMTB-OAHLLOKOSA-N 2 1 331.460 1.052 20 0 EDADMP CC1(C)Cc2cccc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)c2O1 ZINC000261623651 534953453 /nfs/dbraw/zinc/95/34/53/534953453.db2.gz GKIYDXVDFAUZLL-INIZCTEOSA-N 2 1 331.460 1.687 20 0 EDADMP CC1(C)CN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000262019766 535335266 /nfs/dbraw/zinc/33/52/66/535335266.db2.gz AFFVYOYBXKCJLR-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP CC[C@@H](C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000332222202 535433205 /nfs/dbraw/zinc/43/32/05/535433205.db2.gz KRXMICXKWMURAX-KRWDZBQOSA-N 2 1 346.475 1.743 20 0 EDADMP CC[NH+](CC)CCNC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000117023287 535535554 /nfs/dbraw/zinc/53/55/54/535535554.db2.gz GPQBCBZFARRRFM-UHFFFAOYSA-N 2 1 333.480 2.000 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000340044764 535563755 /nfs/dbraw/zinc/56/37/55/535563755.db2.gz YCULOBUTICSMAY-IYBDPMFKSA-N 2 1 349.541 1.137 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000340044764 535563759 /nfs/dbraw/zinc/56/37/59/535563759.db2.gz YCULOBUTICSMAY-IYBDPMFKSA-N 2 1 349.541 1.137 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CCC[NH2+]C3)cc2F)CC1 ZINC000236996219 535744087 /nfs/dbraw/zinc/74/40/87/535744087.db2.gz HYJORGDLKZSYOT-OAHLLOKOSA-N 2 1 348.466 1.697 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000262392566 535772360 /nfs/dbraw/zinc/77/23/60/535772360.db2.gz OKFGDGCANCOBKB-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP CC[C@@H](NC(=O)CCC[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236889181 535785747 /nfs/dbraw/zinc/78/57/47/535785747.db2.gz VDBUZXUETMTEPE-QZTJIDSGSA-N 2 1 333.476 1.782 20 0 EDADMP CC[C@@H](NC(=O)CCC[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236889181 535785749 /nfs/dbraw/zinc/78/57/49/535785749.db2.gz VDBUZXUETMTEPE-QZTJIDSGSA-N 2 1 333.476 1.782 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)NCC[N@@H+](C)C2CC2)CCC[NH+]1C ZINC000347445952 536380414 /nfs/dbraw/zinc/38/04/14/536380414.db2.gz GSLBOIFASUADDA-WMLDXEAASA-N 2 1 348.495 1.196 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)NCC[NH+](C)C2CC2)CCC[N@@H+]1C ZINC000347445952 536380418 /nfs/dbraw/zinc/38/04/18/536380418.db2.gz GSLBOIFASUADDA-WMLDXEAASA-N 2 1 348.495 1.196 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)NCC[NH+](C)C2CC2)CCC[N@H+]1C ZINC000347445952 536380421 /nfs/dbraw/zinc/38/04/21/536380421.db2.gz GSLBOIFASUADDA-WMLDXEAASA-N 2 1 348.495 1.196 20 0 EDADMP C[NH2+][C@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000262315584 536380849 /nfs/dbraw/zinc/38/08/49/536380849.db2.gz DKWDIYBQGUDUFX-LZWOXQAQSA-N 2 1 335.496 1.553 20 0 EDADMP C[NH2+][C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000262315584 536380851 /nfs/dbraw/zinc/38/08/51/536380851.db2.gz DKWDIYBQGUDUFX-LZWOXQAQSA-N 2 1 335.496 1.553 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCC[NH+](C(C)C)C(C)C)[N@@H+](C)C1 ZINC000345666398 536779356 /nfs/dbraw/zinc/77/93/56/536779356.db2.gz NIGJYNPCDHIYNW-HOTGVXAUSA-N 2 1 328.501 1.466 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCn1ccnc1C ZINC000725896867 578301799 /nfs/dbraw/zinc/30/17/99/578301799.db2.gz RCBXPVKJCHFVLR-GOSISDBHSA-N 2 1 349.523 1.846 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCn1cc[nH+]c1C ZINC000725896867 578301800 /nfs/dbraw/zinc/30/18/00/578301800.db2.gz RCBXPVKJCHFVLR-GOSISDBHSA-N 3 1 349.523 1.846 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCn1cc[nH+]c1C ZINC000725896867 578301801 /nfs/dbraw/zinc/30/18/01/578301801.db2.gz RCBXPVKJCHFVLR-GOSISDBHSA-N 3 1 349.523 1.846 20 0 EDADMP COc1ccccc1C[NH+]1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000728064085 578542880 /nfs/dbraw/zinc/54/28/80/578542880.db2.gz BJPAVSSPYVWYPN-SFHVURJKSA-N 2 1 333.476 1.270 20 0 EDADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000729580786 578582667 /nfs/dbraw/zinc/58/26/67/578582667.db2.gz FNWFKOFCEGDASI-UHFFFAOYSA-N 2 1 348.491 1.612 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000734269064 578805781 /nfs/dbraw/zinc/80/57/81/578805781.db2.gz DKHKFVAGBNFQSG-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000747530356 579647631 /nfs/dbraw/zinc/64/76/31/579647631.db2.gz ZEJLFLBPTAYJEU-SFHVURJKSA-N 2 1 337.508 1.819 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-n2ccnc2)nc1 ZINC000749546334 579730057 /nfs/dbraw/zinc/73/00/57/579730057.db2.gz PLQRMLIIUOSHQE-FGTMMUONSA-N 2 1 341.459 1.951 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-n2ccnc2)nc1 ZINC000749546334 579730059 /nfs/dbraw/zinc/73/00/59/579730059.db2.gz PLQRMLIIUOSHQE-FGTMMUONSA-N 2 1 341.459 1.951 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764066479 580112564 /nfs/dbraw/zinc/11/25/64/580112564.db2.gz CWUPDCLNEQEJNU-FUHWJXTLSA-N 2 1 347.507 1.456 20 0 EDADMP CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(OCC[NH+](C)C)CC2)C1=O ZINC000767968979 580204466 /nfs/dbraw/zinc/20/44/66/580204466.db2.gz FBYPKMBAPWOAMV-KRWDZBQOSA-N 2 1 325.453 1.162 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](CO)C3CC3)CC2)cc1 ZINC000771820442 580295552 /nfs/dbraw/zinc/29/55/52/580295552.db2.gz REPDTHAQWIMOAF-IBGZPJMESA-N 2 1 345.487 1.390 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000775690734 580397365 /nfs/dbraw/zinc/39/73/65/580397365.db2.gz QHAMPZHWZRDCIF-YQVWRLOYSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000775690734 580397366 /nfs/dbraw/zinc/39/73/66/580397366.db2.gz QHAMPZHWZRDCIF-YQVWRLOYSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2nccn2CC(F)(F)F)C1 ZINC000779654118 580493362 /nfs/dbraw/zinc/49/33/62/580493362.db2.gz NMAVHSKZWYSYMG-NSHDSACASA-N 2 1 349.357 1.553 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2nccn2CC(F)(F)F)C1 ZINC000779654118 580493363 /nfs/dbraw/zinc/49/33/63/580493363.db2.gz NMAVHSKZWYSYMG-NSHDSACASA-N 2 1 349.357 1.553 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@@H](c3ccco3)C1)C[NH+]1CCC2CC1 ZINC000790364363 580767659 /nfs/dbraw/zinc/76/76/59/580767659.db2.gz YLWSBQFVSRVTFQ-RDTXWAMCSA-N 2 1 331.416 1.943 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CC[C@@H](c3ccco3)C1)C[NH+]1CCC2CC1 ZINC000790364363 580767660 /nfs/dbraw/zinc/76/76/60/580767660.db2.gz YLWSBQFVSRVTFQ-RDTXWAMCSA-N 2 1 331.416 1.943 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@H](c3ccco3)C1)C[NH+]1CCC2CC1 ZINC000790364354 580767698 /nfs/dbraw/zinc/76/76/98/580767698.db2.gz YLWSBQFVSRVTFQ-KBXCAEBGSA-N 2 1 331.416 1.943 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CC[C@H](c3ccco3)C1)C[NH+]1CCC2CC1 ZINC000790364354 580767699 /nfs/dbraw/zinc/76/76/99/580767699.db2.gz YLWSBQFVSRVTFQ-KBXCAEBGSA-N 2 1 331.416 1.943 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793695621 580851955 /nfs/dbraw/zinc/85/19/55/580851955.db2.gz DJLWVPPKZMJUKH-HNNXBMFYSA-N 2 1 349.479 1.031 20 0 EDADMP CC(C)C[C@H]([NH2+]Cc1ncc(Cl)n1C)C(=O)NCC[NH+](C)C ZINC000799340094 581025930 /nfs/dbraw/zinc/02/59/30/581025930.db2.gz DFJJCFXCLDAQDP-LBPRGKRZSA-N 2 1 329.876 1.256 20 0 EDADMP C[C@@]1(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000891875230 590665170 /nfs/dbraw/zinc/66/51/70/590665170.db2.gz UEGBFFPFQADQJT-SCTDSRPQSA-N 2 1 330.476 1.935 20 0 EDADMP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000893237202 590726868 /nfs/dbraw/zinc/72/68/68/590726868.db2.gz FWASMWWMPSZDNO-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000893237202 590726870 /nfs/dbraw/zinc/72/68/70/590726870.db2.gz FWASMWWMPSZDNO-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000893237202 590726871 /nfs/dbraw/zinc/72/68/71/590726871.db2.gz FWASMWWMPSZDNO-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000892023866 590754177 /nfs/dbraw/zinc/75/41/77/590754177.db2.gz LEWSYHDTYJPYSN-MSOLQXFVSA-N 2 1 346.475 1.232 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000892023866 590754181 /nfs/dbraw/zinc/75/41/81/590754181.db2.gz LEWSYHDTYJPYSN-MSOLQXFVSA-N 2 1 346.475 1.232 20 0 EDADMP CC(C)([NH3+])CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000892033749 590762205 /nfs/dbraw/zinc/76/22/05/590762205.db2.gz HETKQSPRDRPXQP-QFBILLFUSA-N 2 1 330.476 1.887 20 0 EDADMP C[C@H]1C[N@H+](Cc2cn(C)nc2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892154277 590825691 /nfs/dbraw/zinc/82/56/91/590825691.db2.gz WLPWSIBLIUEEMR-MAUKXSAKSA-N 2 1 331.508 1.755 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cn(C)nc2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892154277 590825692 /nfs/dbraw/zinc/82/56/92/590825692.db2.gz WLPWSIBLIUEEMR-MAUKXSAKSA-N 2 1 331.508 1.755 20 0 EDADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000892236882 590880179 /nfs/dbraw/zinc/88/01/79/590880179.db2.gz UGBZPKNTZLMKNO-TZMCWYRMSA-N 2 1 349.504 1.686 20 0 EDADMP CN1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)CC[N@@H+](C)CC1 ZINC000888986687 590957994 /nfs/dbraw/zinc/95/79/94/590957994.db2.gz QJGSDQMTPIOSIJ-UHFFFAOYSA-N 2 1 344.503 1.141 20 0 EDADMP CN1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC[NH+](C)CC1 ZINC000888986687 590957995 /nfs/dbraw/zinc/95/79/95/590957995.db2.gz QJGSDQMTPIOSIJ-UHFFFAOYSA-N 2 1 344.503 1.141 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892344413 590972977 /nfs/dbraw/zinc/97/29/77/590972977.db2.gz RLYUYUCFECRZNQ-HNNXBMFYSA-N 2 1 330.476 1.816 20 0 EDADMP CN(C(=O)NCc1cccc2c1CC[NH2+]C2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000892344635 590972996 /nfs/dbraw/zinc/97/29/96/590972996.db2.gz ZVEZSDILXVSZBC-KRWDZBQOSA-N 2 1 328.460 1.710 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CCN(c3cc[nH+]cc3CO)CC2)CC1 ZINC000892429501 591024763 /nfs/dbraw/zinc/02/47/63/591024763.db2.gz MFXNDGMQBBBRAL-UHFFFAOYSA-N 2 1 346.475 1.345 20 0 EDADMP O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000891366768 591062982 /nfs/dbraw/zinc/06/29/82/591062982.db2.gz ZMNFWIAPNCJDDS-CQSZACIVSA-N 2 1 328.460 1.616 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892593208 591085535 /nfs/dbraw/zinc/08/55/35/591085535.db2.gz RRXYNNSEKGCWKN-MUJYYYPQSA-N 2 1 338.496 1.269 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892593208 591085539 /nfs/dbraw/zinc/08/55/39/591085539.db2.gz RRXYNNSEKGCWKN-MUJYYYPQSA-N 2 1 338.496 1.269 20 0 EDADMP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000891513916 591100660 /nfs/dbraw/zinc/10/06/60/591100660.db2.gz JSKPDBPEJFYVIA-KSSFIOAISA-N 2 1 346.475 1.834 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)C[C@H]2C1 ZINC000891522070 591105662 /nfs/dbraw/zinc/10/56/62/591105662.db2.gz WIERJVOJXUUHND-XHSDSOJGSA-N 2 1 332.448 1.620 20 0 EDADMP CN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000893913038 591135773 /nfs/dbraw/zinc/13/57/73/591135773.db2.gz AQEFVJBWBVUTKR-INIZCTEOSA-N 2 1 349.479 1.258 20 0 EDADMP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000891594106 591139495 /nfs/dbraw/zinc/13/94/95/591139495.db2.gz UZVNBQDGIRQZQB-KBAYOESNSA-N 2 1 346.475 1.409 20 0 EDADMP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000891594106 591139498 /nfs/dbraw/zinc/13/94/98/591139498.db2.gz UZVNBQDGIRQZQB-KBAYOESNSA-N 2 1 346.475 1.409 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891597458 591141736 /nfs/dbraw/zinc/14/17/36/591141736.db2.gz QIHPQKLRHBLDRH-MRXNPFEDSA-N 2 1 349.479 1.430 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000893985028 591160440 /nfs/dbraw/zinc/16/04/40/591160440.db2.gz BWHVCJQFJLQLIG-MRXNPFEDSA-N 2 1 345.491 1.939 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892754795 591160583 /nfs/dbraw/zinc/16/05/83/591160583.db2.gz BZOIITYBDAHNNQ-HUUCEWRRSA-N 2 1 338.496 1.317 20 0 EDADMP Cn1ccnc1CNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000892764573 591165940 /nfs/dbraw/zinc/16/59/40/591165940.db2.gz JLHGEMZLMLPJRY-CVEARBPZSA-N 2 1 327.432 1.565 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892774670 591172472 /nfs/dbraw/zinc/17/24/72/591172472.db2.gz UFYQHODFSRKZTG-HOTGVXAUSA-N 2 1 338.496 1.128 20 0 EDADMP [NH3+]CC12CCC(CC1)N2C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000891686080 591185370 /nfs/dbraw/zinc/18/53/70/591185370.db2.gz ZKHYENAIHYVZSS-BNQMIIOLSA-N 2 1 336.480 1.295 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1=CC[N@@H+](C)CC1 ZINC000891766087 591216740 /nfs/dbraw/zinc/21/67/40/591216740.db2.gz RBJRFMIFWCZUJS-KSSFIOAISA-N 2 1 328.460 1.651 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1=CC[N@@H+](C)CC1 ZINC000891766088 591216878 /nfs/dbraw/zinc/21/68/78/591216878.db2.gz RBJRFMIFWCZUJS-RDTXWAMCSA-N 2 1 328.460 1.651 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000892923819 591226608 /nfs/dbraw/zinc/22/66/08/591226608.db2.gz NBMFTDZTESCTAU-UHFFFAOYSA-N 2 1 326.485 1.088 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000892944347 591234664 /nfs/dbraw/zinc/23/46/64/591234664.db2.gz PAMCAPCLKMTUNP-KRWDZBQOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000894232082 591238426 /nfs/dbraw/zinc/23/84/26/591238426.db2.gz BTGXNPJQJGPHCB-OQIJWPOYSA-N 2 1 342.487 1.710 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894232082 591238427 /nfs/dbraw/zinc/23/84/27/591238427.db2.gz BTGXNPJQJGPHCB-OQIJWPOYSA-N 2 1 342.487 1.710 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000894232082 591238429 /nfs/dbraw/zinc/23/84/29/591238429.db2.gz BTGXNPJQJGPHCB-OQIJWPOYSA-N 2 1 342.487 1.710 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cccc3c2NCCC3)C1 ZINC000894242616 591242598 /nfs/dbraw/zinc/24/25/98/591242598.db2.gz QGTHQJGTVMODDV-KRWDZBQOSA-N 2 1 330.476 1.722 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cccc3c2NCCC3)C1 ZINC000894242616 591242600 /nfs/dbraw/zinc/24/26/00/591242600.db2.gz QGTHQJGTVMODDV-KRWDZBQOSA-N 2 1 330.476 1.722 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000895666856 591247326 /nfs/dbraw/zinc/24/73/26/591247326.db2.gz STOQJBSRKXHVJX-JKSUJKDBSA-N 2 1 327.517 1.042 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1CCC[C@H]1C ZINC000895666856 591247327 /nfs/dbraw/zinc/24/73/27/591247327.db2.gz STOQJBSRKXHVJX-JKSUJKDBSA-N 3 1 327.517 1.042 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1CCC[C@H]1C ZINC000895666856 591247328 /nfs/dbraw/zinc/24/73/28/591247328.db2.gz STOQJBSRKXHVJX-JKSUJKDBSA-N 3 1 327.517 1.042 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000895666856 591247329 /nfs/dbraw/zinc/24/73/29/591247329.db2.gz STOQJBSRKXHVJX-JKSUJKDBSA-N 3 1 327.517 1.042 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000895666856 591247330 /nfs/dbraw/zinc/24/73/30/591247330.db2.gz STOQJBSRKXHVJX-JKSUJKDBSA-N 3 1 327.517 1.042 20 0 EDADMP CC(C)(C)OC(=O)N1CC(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000894261413 591253858 /nfs/dbraw/zinc/25/38/58/591253858.db2.gz SYOWALMAFRBBAU-MRXNPFEDSA-N 2 1 341.496 1.680 20 0 EDADMP C[C@@H]1CSCCCN1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000893021716 591257718 /nfs/dbraw/zinc/25/77/18/591257718.db2.gz GRNRPCPDPCFJLQ-CABCVRRESA-N 2 1 340.537 1.692 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000895781447 591274001 /nfs/dbraw/zinc/27/40/01/591274001.db2.gz TYULQLNTFUUJHM-JTDSTZFVSA-N 2 1 349.519 1.961 20 0 EDADMP COC(=O)[C@@H]1[C@@H](C[NH2+]C2CC[NH+](CCOC(C)C)CC2)C1(F)F ZINC000894324390 591278998 /nfs/dbraw/zinc/27/89/98/591278998.db2.gz ZOVNXCMZQLBRMA-KGLIPLIRSA-N 2 1 334.407 1.520 20 0 EDADMP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000894346231 591285262 /nfs/dbraw/zinc/28/52/62/591285262.db2.gz STPGMAVUNWPYIL-ZWKOTPCHSA-N 2 1 330.476 1.636 20 0 EDADMP COC(=O)c1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cs1 ZINC000894375024 591294412 /nfs/dbraw/zinc/29/44/12/591294412.db2.gz IUSRJEXHHMCOOS-UHFFFAOYSA-N 2 1 325.478 1.652 20 0 EDADMP COc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000894451568 591315614 /nfs/dbraw/zinc/31/56/14/591315614.db2.gz PTPMXFJJTZWDEM-UHFFFAOYSA-N 2 1 345.487 1.990 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(Br)nn1 ZINC000894495077 591325820 /nfs/dbraw/zinc/32/58/20/591325820.db2.gz IZZMZUNPYMSMGR-NSHDSACASA-N 2 1 330.274 1.923 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(Br)nn1 ZINC000894495077 591325821 /nfs/dbraw/zinc/32/58/21/591325821.db2.gz IZZMZUNPYMSMGR-NSHDSACASA-N 2 1 330.274 1.923 20 0 EDADMP Cc1cnc2c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cnn2c1 ZINC000898584594 591422935 /nfs/dbraw/zinc/42/29/35/591422935.db2.gz GWXQXNFQMCLJDA-AWEZNQCLSA-N 2 1 332.452 1.040 20 0 EDADMP Cc1cnc2c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cnn2c1 ZINC000898584594 591422937 /nfs/dbraw/zinc/42/29/37/591422937.db2.gz GWXQXNFQMCLJDA-AWEZNQCLSA-N 2 1 332.452 1.040 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC000898585275 591423355 /nfs/dbraw/zinc/42/33/55/591423355.db2.gz QNRMRQDLFJGGTH-KGLIPLIRSA-N 2 1 335.496 1.536 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC000898585275 591423356 /nfs/dbraw/zinc/42/33/56/591423356.db2.gz QNRMRQDLFJGGTH-KGLIPLIRSA-N 2 1 335.496 1.536 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000898585359 591423479 /nfs/dbraw/zinc/42/34/79/591423479.db2.gz UFZJLSCMEVQPFM-HOTGVXAUSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000898585359 591423482 /nfs/dbraw/zinc/42/34/82/591423482.db2.gz UFZJLSCMEVQPFM-HOTGVXAUSA-N 2 1 325.497 1.866 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000894815337 591427756 /nfs/dbraw/zinc/42/77/56/591427756.db2.gz KWGOPEGNEFGRMF-YESZJQIVSA-N 2 1 338.496 1.101 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000894815337 591427760 /nfs/dbraw/zinc/42/77/60/591427760.db2.gz KWGOPEGNEFGRMF-YESZJQIVSA-N 2 1 338.496 1.101 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000894815337 591427764 /nfs/dbraw/zinc/42/77/64/591427764.db2.gz KWGOPEGNEFGRMF-YESZJQIVSA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[N@H+]2CCC[C@@H]2C)C1 ZINC000897482569 591488540 /nfs/dbraw/zinc/48/85/40/591488540.db2.gz BNKPNOQZVIKPEJ-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CSC1(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC[NH+](C)CC1 ZINC000894954229 591499382 /nfs/dbraw/zinc/49/93/82/591499382.db2.gz KRSHEZFXVKBHGE-GOEBONIOSA-N 2 1 340.537 1.407 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000894989765 591509140 /nfs/dbraw/zinc/50/91/40/591509140.db2.gz MIENCRGHTHWPAA-GVDBMIGSSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000894989765 591509142 /nfs/dbraw/zinc/50/91/42/591509142.db2.gz MIENCRGHTHWPAA-GVDBMIGSSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000894989765 591509143 /nfs/dbraw/zinc/50/91/43/591509143.db2.gz MIENCRGHTHWPAA-GVDBMIGSSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000897598577 591577106 /nfs/dbraw/zinc/57/71/06/591577106.db2.gz ZUEVJOJPIUKZHX-RTBURBONSA-N 2 1 344.503 1.433 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000889770489 591618599 /nfs/dbraw/zinc/61/85/99/591618599.db2.gz SXTIDXBSIMFMIV-SJORKVTESA-N 2 1 325.497 1.556 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889770489 591618601 /nfs/dbraw/zinc/61/86/01/591618601.db2.gz SXTIDXBSIMFMIV-SJORKVTESA-N 2 1 325.497 1.556 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889770489 591618604 /nfs/dbraw/zinc/61/86/04/591618604.db2.gz SXTIDXBSIMFMIV-SJORKVTESA-N 2 1 325.497 1.556 20 0 EDADMP C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000895328498 591714975 /nfs/dbraw/zinc/71/49/75/591714975.db2.gz GPWCRCKCPKBMFH-MJGOQNOKSA-N 2 1 334.460 1.479 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(O)CC2)[C@@H]1c1ccccc1 ZINC000897920334 591721887 /nfs/dbraw/zinc/72/18/87/591721887.db2.gz WPCDQZIZSRMKRS-ROUUACIJSA-N 2 1 331.460 1.252 20 0 EDADMP OCC[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc(N2CCSCC2)ncn1 ZINC000897221108 591775444 /nfs/dbraw/zinc/77/54/44/591775444.db2.gz HGPILPCLHWZANF-LSDHHAIUSA-N 2 1 349.504 1.065 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000900012549 591863032 /nfs/dbraw/zinc/86/30/32/591863032.db2.gz BQYFHXKRRZKQGA-CKEIUWERSA-N 2 1 337.489 1.456 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000900012549 591863037 /nfs/dbraw/zinc/86/30/37/591863037.db2.gz BQYFHXKRRZKQGA-CKEIUWERSA-N 2 1 337.489 1.456 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000900013996 591867483 /nfs/dbraw/zinc/86/74/83/591867483.db2.gz UIVBLYVYRYFOIJ-PKOBYXMFSA-N 2 1 333.476 1.122 20 0 EDADMP Cn1ccnc1[C@@H]1CC[N@H+](CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902201730 591944590 /nfs/dbraw/zinc/94/45/90/591944590.db2.gz QAYNWGRSTRBLGO-FSIPBHDLSA-N 2 1 340.427 1.364 20 0 EDADMP Cn1ccnc1[C@@H]1CC[N@@H+](CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902201730 591944591 /nfs/dbraw/zinc/94/45/91/591944591.db2.gz QAYNWGRSTRBLGO-FSIPBHDLSA-N 2 1 340.427 1.364 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C[C@@H]([C@@H]4CCCO4)CC3=O)C2)CC1 ZINC000902201302 591944607 /nfs/dbraw/zinc/94/46/07/591944607.db2.gz LUNDUULRTCKBIW-SQNIBIBYSA-N 2 1 335.492 1.635 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900218233 591947327 /nfs/dbraw/zinc/94/73/27/591947327.db2.gz JDSHTTXMTRMJRS-UIBIWLFHSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900218233 591947331 /nfs/dbraw/zinc/94/73/31/591947331.db2.gz JDSHTTXMTRMJRS-UIBIWLFHSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900218233 591947335 /nfs/dbraw/zinc/94/73/35/591947335.db2.gz JDSHTTXMTRMJRS-UIBIWLFHSA-N 2 1 325.497 1.316 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900283252 591970962 /nfs/dbraw/zinc/97/09/62/591970962.db2.gz FHPDECBBTKXDGZ-MRXNPFEDSA-N 2 1 335.496 1.360 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900339110 591989025 /nfs/dbraw/zinc/98/90/25/591989025.db2.gz LJQXKGYWBLWTNR-QAPCUYQASA-N 2 1 325.497 1.460 20 0 EDADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900339110 591989027 /nfs/dbraw/zinc/98/90/27/591989027.db2.gz LJQXKGYWBLWTNR-QAPCUYQASA-N 2 1 325.497 1.460 20 0 EDADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900339110 591989029 /nfs/dbraw/zinc/98/90/29/591989029.db2.gz LJQXKGYWBLWTNR-QAPCUYQASA-N 2 1 325.497 1.460 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCC[NH+](CC)C2)C1 ZINC000900428558 592015617 /nfs/dbraw/zinc/01/56/17/592015617.db2.gz FTGHGTRIBYKYGB-HZPDHXFCSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCC[NH+](CC)C2)C1 ZINC000900428558 592015620 /nfs/dbraw/zinc/01/56/20/592015620.db2.gz FTGHGTRIBYKYGB-HZPDHXFCSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2CCC[N@H+](CC)C2)C1 ZINC000900428558 592015623 /nfs/dbraw/zinc/01/56/23/592015623.db2.gz FTGHGTRIBYKYGB-HZPDHXFCSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2CCC[N@@H+](CC)C2)C1 ZINC000900428558 592015626 /nfs/dbraw/zinc/01/56/26/592015626.db2.gz FTGHGTRIBYKYGB-HZPDHXFCSA-N 2 1 339.480 1.110 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccn2nccc2n1 ZINC000900480136 592030079 /nfs/dbraw/zinc/03/00/79/592030079.db2.gz CNMGSBSESATWMN-HNNXBMFYSA-N 2 1 344.463 1.217 20 0 EDADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC000900662646 592084613 /nfs/dbraw/zinc/08/46/13/592084613.db2.gz PMXRHKZNCGSZLP-QAPCUYQASA-N 2 1 335.448 1.411 20 0 EDADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)c1 ZINC000900662646 592084615 /nfs/dbraw/zinc/08/46/15/592084615.db2.gz PMXRHKZNCGSZLP-QAPCUYQASA-N 2 1 335.448 1.411 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCO[C@]34CCOC4)C2)nc(C)[nH+]1 ZINC000903136970 592126256 /nfs/dbraw/zinc/12/62/56/592126256.db2.gz XABDPWKKDDSYDB-JZXOWHBKSA-N 2 1 332.448 1.600 20 0 EDADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCN2CCCOCC2)cc1 ZINC000903229247 592143977 /nfs/dbraw/zinc/14/39/77/592143977.db2.gz VYFCGCSWMGQVGP-YOFSQIOKSA-N 2 1 329.488 1.819 20 0 EDADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCN2CCCOCC2)cc1 ZINC000903229247 592143980 /nfs/dbraw/zinc/14/39/80/592143980.db2.gz VYFCGCSWMGQVGP-YOFSQIOKSA-N 2 1 329.488 1.819 20 0 EDADMP Cn1nnnc1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000903348493 592156589 /nfs/dbraw/zinc/15/65/89/592156589.db2.gz DVSPHHMJLPSVPZ-NNZMDNLPSA-N 2 1 340.475 1.928 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900896267 592160130 /nfs/dbraw/zinc/16/01/30/592160130.db2.gz UWAMUYKRFFOPMV-CMKODMSKSA-N 2 1 345.487 1.422 20 0 EDADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900896267 592160132 /nfs/dbraw/zinc/16/01/32/592160132.db2.gz UWAMUYKRFFOPMV-CMKODMSKSA-N 2 1 345.487 1.422 20 0 EDADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900896267 592160134 /nfs/dbraw/zinc/16/01/34/592160134.db2.gz UWAMUYKRFFOPMV-CMKODMSKSA-N 2 1 345.487 1.422 20 0 EDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903421661 592170443 /nfs/dbraw/zinc/17/04/43/592170443.db2.gz QNCDCAALYQDBDB-OAHLLOKOSA-N 2 1 345.443 1.231 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000900973126 592182202 /nfs/dbraw/zinc/18/22/02/592182202.db2.gz FZYXCWAMSLFUCI-LBKNJMOBSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000900973126 592182206 /nfs/dbraw/zinc/18/22/06/592182206.db2.gz FZYXCWAMSLFUCI-LBKNJMOBSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000900973126 592182209 /nfs/dbraw/zinc/18/22/09/592182209.db2.gz FZYXCWAMSLFUCI-LBKNJMOBSA-N 2 1 345.487 1.611 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H]1CCc3ccccc3NC1=O)C2 ZINC000903492667 592185711 /nfs/dbraw/zinc/18/57/11/592185711.db2.gz IUMNZALMFIHZQJ-ZDXGLAPJSA-N 2 1 343.427 1.152 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903494683 592186899 /nfs/dbraw/zinc/18/68/99/592186899.db2.gz KPQZZUXOLAKBAL-GDBMZVCRSA-N 2 1 349.475 1.279 20 0 EDADMP CC[C@H](NC(=O)Cc1c[nH]cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000901062936 592221136 /nfs/dbraw/zinc/22/11/36/592221136.db2.gz BMOWSXAXQBBRJG-ROUUACIJSA-N 2 1 342.443 1.748 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)CC1 ZINC000903567951 592223848 /nfs/dbraw/zinc/22/38/48/592223848.db2.gz GTSDXMFAJUEPQZ-CABCVRRESA-N 2 1 348.466 1.316 20 0 EDADMP c1cc(N2CC[NH2+]CC2)oc1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000904356397 592237481 /nfs/dbraw/zinc/23/74/81/592237481.db2.gz WPFNRJFGSQGNSL-SFHVURJKSA-N 2 1 326.444 1.666 20 0 EDADMP CN(C(=O)c1c2c(nn1C)CCC2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000906654609 592237462 /nfs/dbraw/zinc/23/74/62/592237462.db2.gz KVICGEAYIJUFFU-OAHLLOKOSA-N 2 1 345.491 1.149 20 0 EDADMP CN(C(=O)c1c2c(nn1C)CCC2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000906654609 592237466 /nfs/dbraw/zinc/23/74/66/592237466.db2.gz KVICGEAYIJUFFU-OAHLLOKOSA-N 2 1 345.491 1.149 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC000904376954 592244951 /nfs/dbraw/zinc/24/49/51/592244951.db2.gz ZEZHJRBYBAMSGY-BPQIPLTHSA-N 3 1 348.491 1.550 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@H](N)CCC(C)(C)C)CC1 ZINC000904379765 592246290 /nfs/dbraw/zinc/24/62/90/592246290.db2.gz WHBAXEGROGJMSR-OAHLLOKOSA-N 2 1 326.529 1.720 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906665556 592248454 /nfs/dbraw/zinc/24/84/54/592248454.db2.gz ZECRFUQGLGDOII-BBRMVZONSA-N 2 1 346.475 1.618 20 0 EDADMP C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CCC1(C)C ZINC000906680224 592261375 /nfs/dbraw/zinc/26/13/75/592261375.db2.gz LLFHHLZIDRDNOH-UHFFFAOYSA-N 2 1 346.475 1.762 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)C[C@]2(C)C1 ZINC000904524314 592278573 /nfs/dbraw/zinc/27/85/73/592278573.db2.gz MQCGQZCGAYLJDV-SUMDDJOVSA-N 2 1 344.459 1.763 20 0 EDADMP CC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C[C@H]1COc2ccccc2O1 ZINC000903717438 592280451 /nfs/dbraw/zinc/28/04/51/592280451.db2.gz AKJSZTOCAVAART-BXWFABGCSA-N 2 1 332.444 1.917 20 0 EDADMP c1ccn2c(c1)nnc2[C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903732460 592287878 /nfs/dbraw/zinc/28/78/78/592287878.db2.gz DWFJNRUHSNTCPN-GPMSIDNRSA-N 2 1 341.459 1.677 20 0 EDADMP O[C@H](C[NH+]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)c1ccccc1 ZINC000903739637 592301155 /nfs/dbraw/zinc/30/11/55/592301155.db2.gz NFEAXEOERJLDHX-XUVXKRRUSA-N 2 1 345.487 1.106 20 0 EDADMP c1ccc2oc(N3CC[NH+](C[C@H]4C[C@]5(CC[NH2+]C5)CO4)CC3)nc2c1 ZINC000903740022 592301665 /nfs/dbraw/zinc/30/16/65/592301665.db2.gz RUQSSWGQKFRWLZ-BEFAXECRSA-N 2 1 342.443 1.718 20 0 EDADMP Cc1cc(C)nc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000903761609 592307994 /nfs/dbraw/zinc/30/79/94/592307994.db2.gz XDEIZVBJTXWWDB-MSOLQXFVSA-N 2 1 343.475 1.419 20 0 EDADMP Cc1cc(C)nc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000903761609 592307998 /nfs/dbraw/zinc/30/79/98/592307998.db2.gz XDEIZVBJTXWWDB-MSOLQXFVSA-N 2 1 343.475 1.419 20 0 EDADMP CC(C)(C)c1ncc2c(n1)CC[N@@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903770283 592310758 /nfs/dbraw/zinc/31/07/58/592310758.db2.gz WIOOPHKRYQJOIE-KXBFYZLASA-N 2 1 330.476 1.901 20 0 EDADMP CC(C)(C)c1ncc2c(n1)CC[N@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903770283 592310762 /nfs/dbraw/zinc/31/07/62/592310762.db2.gz WIOOPHKRYQJOIE-KXBFYZLASA-N 2 1 330.476 1.901 20 0 EDADMP c1c([C@H]2CCC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000903770153 592310797 /nfs/dbraw/zinc/31/07/97/592310797.db2.gz TUEDYWLKAHDWBN-SJORKVTESA-N 3 1 346.523 1.388 20 0 EDADMP c1c([C@H]2CCCN(C[C@@H]3CCCC[NH2+]C3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000903770153 592310801 /nfs/dbraw/zinc/31/08/01/592310801.db2.gz TUEDYWLKAHDWBN-SJORKVTESA-N 2 1 346.523 1.388 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC(C(C)(C)C[NH3+])CC2)CC1 ZINC000903790645 592315866 /nfs/dbraw/zinc/31/58/66/592315866.db2.gz TZFVWONNTOPRBJ-UHFFFAOYSA-N 2 1 338.540 1.672 20 0 EDADMP Cc1cc(NC(=O)C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)on1 ZINC000903793417 592316192 /nfs/dbraw/zinc/31/61/92/592316192.db2.gz CPOWHXAPYAUFQD-UHFFFAOYSA-N 2 1 328.416 1.914 20 0 EDADMP CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903777667 592319161 /nfs/dbraw/zinc/31/91/61/592319161.db2.gz CBFOUZDNMYBTLK-CVEARBPZSA-N 2 1 335.452 1.191 20 0 EDADMP CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903777667 592319166 /nfs/dbraw/zinc/31/91/66/592319166.db2.gz CBFOUZDNMYBTLK-CVEARBPZSA-N 2 1 335.452 1.191 20 0 EDADMP COc1ccccc1N1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903829589 592334971 /nfs/dbraw/zinc/33/49/71/592334971.db2.gz IBNWTSADIOXECZ-FXAWDEMLSA-N 2 1 345.487 1.976 20 0 EDADMP FC(F)(F)c1ccnc([C@H]2CC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC000903825903 592335405 /nfs/dbraw/zinc/33/54/05/592335405.db2.gz DORCEWPZUHPIFS-NWDGAFQWSA-N 2 1 342.365 1.663 20 0 EDADMP CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903888868 592351536 /nfs/dbraw/zinc/35/15/36/592351536.db2.gz LYQAHYQKKUSWIC-SJORKVTESA-N 2 1 349.523 1.474 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908156534 592352337 /nfs/dbraw/zinc/35/23/37/592352337.db2.gz QKWNGLVLCZKWRY-GOSISDBHSA-N 2 1 325.497 1.558 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)C1 ZINC000906806117 592353732 /nfs/dbraw/zinc/35/37/32/592353732.db2.gz IGSUCJZEZQTPAZ-LSDHHAIUSA-N 2 1 338.521 1.744 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C[C@@H]([NH3+])CC(F)F)CC2)cn1 ZINC000903892869 592366761 /nfs/dbraw/zinc/36/67/61/592366761.db2.gz NXEBYDOPLMWEJH-HNNXBMFYSA-N 2 1 329.439 1.783 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCc3ccccc3[C@H]2CO)cnn1C ZINC000903895594 592368092 /nfs/dbraw/zinc/36/80/92/592368092.db2.gz OQJRKCQKFNEEJV-DNVCBOLYSA-N 2 1 328.460 1.438 20 0 EDADMP CC(=O)N(C[C@@H]1CCC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903915448 592370189 /nfs/dbraw/zinc/37/01/89/592370189.db2.gz YSDFXFYRMRJLSP-APWZRJJASA-N 2 1 347.507 1.321 20 0 EDADMP Cn1ccnc1C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC12CC[NH2+]CC2 ZINC000903905918 592372840 /nfs/dbraw/zinc/37/28/40/592372840.db2.gz PUZOATYUSAJBML-HQSKLWIPSA-N 3 1 343.519 1.895 20 0 EDADMP Cn1ccnc1CN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC12CC[NH2+]CC2 ZINC000903905918 592372844 /nfs/dbraw/zinc/37/28/44/592372844.db2.gz PUZOATYUSAJBML-HQSKLWIPSA-N 2 1 343.519 1.895 20 0 EDADMP O=C(NC1CC1)c1noc([C@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000903913548 592376046 /nfs/dbraw/zinc/37/60/46/592376046.db2.gz DVVCKJBPYPTGIF-CHEQUFIKSA-N 2 1 345.447 1.629 20 0 EDADMP COCc1cc(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)ccc1F ZINC000903923675 592379937 /nfs/dbraw/zinc/37/99/37/592379937.db2.gz ZXDAKIROGALBEI-OAHLLOKOSA-N 2 1 333.411 1.778 20 0 EDADMP COC(=O)[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955627 592395306 /nfs/dbraw/zinc/39/53/06/592395306.db2.gz XSPQKKGTUSJDQD-TZMCWYRMSA-N 2 1 342.386 1.961 20 0 EDADMP CCn1nc(C)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1C ZINC000903980036 592400278 /nfs/dbraw/zinc/40/02/78/592400278.db2.gz DHOQOWRKYLKJKF-HDICACEKSA-N 2 1 331.508 1.920 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)CCCO1 ZINC000905230961 592459341 /nfs/dbraw/zinc/45/93/41/592459341.db2.gz HQCSVVYOXYBYRI-NZSAHSFTSA-N 2 1 336.476 1.562 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C[C@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000904318143 592476115 /nfs/dbraw/zinc/47/61/15/592476115.db2.gz MQLHTUNNYCPLMZ-RBUKOAKNSA-N 2 1 338.540 1.103 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905347712 592501953 /nfs/dbraw/zinc/50/19/53/592501953.db2.gz BHYHINNHTXYXSK-IAGOWNOFSA-N 2 1 328.497 1.259 20 0 EDADMP O[C@H](CC[C@H](O)c1ccccc1)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000905339584 592511089 /nfs/dbraw/zinc/51/10/89/592511089.db2.gz BSWWAWCESXAYKO-QRVBRYPASA-N 2 1 336.476 1.298 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)COC(C)C)C2)[C@@H]1C(C)C ZINC000905502906 592546218 /nfs/dbraw/zinc/54/62/18/592546218.db2.gz LWWOQGYUOZKPMJ-PNKHAZJDSA-N 2 1 328.497 1.232 20 0 EDADMP C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000907286460 592584482 /nfs/dbraw/zinc/58/44/82/592584482.db2.gz QLRQTWBYZRFIGU-HZPDHXFCSA-N 2 1 336.524 1.249 20 0 EDADMP C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907286460 592584484 /nfs/dbraw/zinc/58/44/84/592584484.db2.gz QLRQTWBYZRFIGU-HZPDHXFCSA-N 2 1 336.524 1.249 20 0 EDADMP C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000907286460 592584486 /nfs/dbraw/zinc/58/44/86/592584486.db2.gz QLRQTWBYZRFIGU-HZPDHXFCSA-N 2 1 336.524 1.249 20 0 EDADMP CC1(C)CC[N@@H+](CCNC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000905675905 592608996 /nfs/dbraw/zinc/60/89/96/592608996.db2.gz AAHWMCIZWAXZMS-FQEVSTJZSA-N 2 1 331.504 1.945 20 0 EDADMP CC1(C)CC[NH+](CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000905675905 592609000 /nfs/dbraw/zinc/60/90/00/592609000.db2.gz AAHWMCIZWAXZMS-FQEVSTJZSA-N 2 1 331.504 1.945 20 0 EDADMP CN(C)C(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)nc1 ZINC000905700794 592614525 /nfs/dbraw/zinc/61/45/25/592614525.db2.gz RTKMULRKWSBLNW-CALCHBBNSA-N 2 1 343.475 1.188 20 0 EDADMP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905709890 592619404 /nfs/dbraw/zinc/61/94/04/592619404.db2.gz PULBRTBCFJLNKX-IXDOHACOSA-N 2 1 344.459 1.462 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1CN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000905734901 592632039 /nfs/dbraw/zinc/63/20/39/592632039.db2.gz XWYSBIXQFTULPV-SIXWZSSISA-N 2 1 342.443 1.038 20 0 EDADMP C[C@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000907446818 592659461 /nfs/dbraw/zinc/65/94/61/592659461.db2.gz KUKOXFJHQAMZQT-SNRMKQJTSA-N 2 1 333.476 1.641 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC[S@](=O)C(F)(F)F)CC1 ZINC000905932694 592687338 /nfs/dbraw/zinc/68/73/38/592687338.db2.gz NXKJIQDBEUGERS-MQJDWESPSA-N 2 1 330.416 1.280 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1 ZINC000907554058 592704808 /nfs/dbraw/zinc/70/48/08/592704808.db2.gz JEEHTVKJUHTKFT-DOTOQJQBSA-N 2 1 337.489 1.320 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000910283824 592821269 /nfs/dbraw/zinc/82/12/69/592821269.db2.gz WYAKRSVFJLNACN-PXNSSMCTSA-N 2 1 345.487 1.566 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000910283824 592821271 /nfs/dbraw/zinc/82/12/71/592821271.db2.gz WYAKRSVFJLNACN-PXNSSMCTSA-N 2 1 345.487 1.566 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000910283824 592821274 /nfs/dbraw/zinc/82/12/74/592821274.db2.gz WYAKRSVFJLNACN-PXNSSMCTSA-N 2 1 345.487 1.566 20 0 EDADMP CCn1ccnc1[C@@H]1CCCCN1C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000907937613 592849824 /nfs/dbraw/zinc/84/98/24/592849824.db2.gz FTTSVMKTRVIGEC-MAUKXSAKSA-N 2 1 334.464 1.803 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N(C)C(C)(C)C[NH+]2CCCC2)CC1 ZINC000910936898 592902252 /nfs/dbraw/zinc/90/22/52/592902252.db2.gz ZZZZQXANOMYGEE-UHFFFAOYSA-N 2 1 338.540 1.735 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000911881407 593030163 /nfs/dbraw/zinc/03/01/63/593030163.db2.gz RAXKMNJYYNFWBC-ONIAQPFYSA-N 2 1 331.460 1.329 20 0 EDADMP CC[C@@H](C)C[C@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912030019 593050104 /nfs/dbraw/zinc/05/01/04/593050104.db2.gz TZSQIEADIHKHOY-CVEARBPZSA-N 2 1 325.497 1.901 20 0 EDADMP C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)C1=O ZINC000817929514 593649658 /nfs/dbraw/zinc/64/96/58/593649658.db2.gz PLBVDBUBUUIPTE-GPMSIDNRSA-N 2 1 342.443 1.881 20 0 EDADMP O=C(CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Nc1cccnc1 ZINC000819059466 593736651 /nfs/dbraw/zinc/73/66/51/593736651.db2.gz CGAHLCUEZJMIBR-KRWDZBQOSA-N 2 1 332.448 1.643 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000819132326 593740568 /nfs/dbraw/zinc/74/05/68/593740568.db2.gz AUOWBALETFGBTH-UXLLHSPISA-N 2 1 340.489 1.586 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cn1 ZINC000819174100 593742769 /nfs/dbraw/zinc/74/27/69/593742769.db2.gz OJCXUSOOEGLKLY-RCCFBDPRSA-N 2 1 337.439 1.612 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cn1 ZINC000819174098 593742877 /nfs/dbraw/zinc/74/28/77/593742877.db2.gz OJCXUSOOEGLKLY-OKZBNKHCSA-N 2 1 337.439 1.612 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1=CC[N@@H+](C)CC1 ZINC000819219675 593744889 /nfs/dbraw/zinc/74/48/89/593744889.db2.gz FOMQTYPJPLSKLG-GUYCJALGSA-N 2 1 338.473 1.364 20 0 EDADMP C[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000821623888 593884625 /nfs/dbraw/zinc/88/46/25/593884625.db2.gz UZEDBDODERIDDX-CZUORRHYSA-N 2 1 330.436 1.174 20 0 EDADMP C[N@@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000821623888 593884628 /nfs/dbraw/zinc/88/46/28/593884628.db2.gz UZEDBDODERIDDX-CZUORRHYSA-N 2 1 330.436 1.174 20 0 EDADMP C[NH+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000821623888 593884629 /nfs/dbraw/zinc/88/46/29/593884629.db2.gz UZEDBDODERIDDX-CZUORRHYSA-N 2 1 330.436 1.174 20 0 EDADMP C[NH+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000821623888 593884631 /nfs/dbraw/zinc/88/46/31/593884631.db2.gz UZEDBDODERIDDX-CZUORRHYSA-N 2 1 330.436 1.174 20 0 EDADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cnnn1C ZINC000820812929 593895851 /nfs/dbraw/zinc/89/58/51/593895851.db2.gz VPZFLAPVFMZDCL-AWEZNQCLSA-N 2 1 329.448 1.623 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189291 593986047 /nfs/dbraw/zinc/98/60/47/593986047.db2.gz KLDGZGGRJRHETD-YOEHRIQHSA-N 2 1 344.463 1.564 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189291 593986049 /nfs/dbraw/zinc/98/60/49/593986049.db2.gz KLDGZGGRJRHETD-YOEHRIQHSA-N 2 1 344.463 1.564 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H](C)[NH+](C)C)C2)ccn1 ZINC000824797643 594076626 /nfs/dbraw/zinc/07/66/26/594076626.db2.gz NLKGDMTZFKDKAE-RHSMWYFYSA-N 2 1 334.464 1.463 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000827539764 594228062 /nfs/dbraw/zinc/22/80/62/594228062.db2.gz KIGOLZGZMXTGIU-CQSZACIVSA-N 2 1 331.445 1.287 20 0 EDADMP Cc1ccccc1[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000827914924 594302393 /nfs/dbraw/zinc/30/23/93/594302393.db2.gz BAINUBXJZIHJCX-SFHVURJKSA-N 2 1 331.460 1.579 20 0 EDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCON3C(=O)c4ccccc4C3=O)C2)C1 ZINC000830009038 594313817 /nfs/dbraw/zinc/31/38/17/594313817.db2.gz ODQVUQGFJREXHX-LJQANCHMSA-N 2 1 343.427 1.632 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCON3C(=O)c4ccccc4C3=O)C2)C1 ZINC000830009038 594313819 /nfs/dbraw/zinc/31/38/19/594313819.db2.gz ODQVUQGFJREXHX-LJQANCHMSA-N 2 1 343.427 1.632 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCON3C(=O)c4ccccc4C3=O)C2)C1 ZINC000830009038 594313821 /nfs/dbraw/zinc/31/38/21/594313821.db2.gz ODQVUQGFJREXHX-LJQANCHMSA-N 2 1 343.427 1.632 20 0 EDADMP O=C(N1CCC[N@@H+](CCCc2ccccc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000828217938 594367316 /nfs/dbraw/zinc/36/73/16/594367316.db2.gz RUEZNNKHWGQDSJ-IBGZPJMESA-N 2 1 333.451 1.855 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000841678018 594934829 /nfs/dbraw/zinc/93/48/29/594934829.db2.gz ZAVZNZYELRDRKT-MRXNPFEDSA-N 2 1 338.496 1.128 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000841721043 594942995 /nfs/dbraw/zinc/94/29/95/594942995.db2.gz BZHJFTZTULNQBV-DOMZBBRYSA-N 2 1 328.420 1.373 20 0 EDADMP COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)C1CCC([NH3+])CC1)[nH]c2=O ZINC000843354890 595085278 /nfs/dbraw/zinc/08/52/78/595085278.db2.gz JIFSDNUVACXIJI-UHFFFAOYSA-N 2 1 344.415 1.824 20 0 EDADMP CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)cc(=O)oc2c1 ZINC000843364406 595088688 /nfs/dbraw/zinc/08/86/88/595088688.db2.gz IAOYPFNOCBLAKI-AAEUAGOBSA-N 2 1 329.400 1.921 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C[C@H]21 ZINC000843367140 595089906 /nfs/dbraw/zinc/08/99/06/595089906.db2.gz ADGLSBYPMUQNMM-CYZMBNFOSA-N 2 1 329.404 1.266 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C[C@H]21 ZINC000843367140 595089909 /nfs/dbraw/zinc/08/99/09/595089909.db2.gz ADGLSBYPMUQNMM-CYZMBNFOSA-N 2 1 329.404 1.266 20 0 EDADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2ccc(O)cc2)CC1 ZINC000842479219 595115632 /nfs/dbraw/zinc/11/56/32/595115632.db2.gz QPCCOVFYVLCUCT-SJLPKXTDSA-N 2 1 333.432 1.549 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000843073644 595281297 /nfs/dbraw/zinc/28/12/97/595281297.db2.gz SDHWBLVJPNWEPC-XJKSGUPXSA-N 2 1 328.403 1.825 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)CNC[C@H](O)c1ccc(F)cc1 ZINC000843107637 595288251 /nfs/dbraw/zinc/28/82/51/595288251.db2.gz GBKQXNQQHWRURH-OALUTQOASA-N 2 1 332.419 1.942 20 0 EDADMP O=C(CO[C@@H]1CCC[NH2+]C1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000844172287 595290915 /nfs/dbraw/zinc/29/09/15/595290915.db2.gz STIPIMGWMXUSKI-GOSISDBHSA-N 2 1 331.460 1.320 20 0 EDADMP C[C@H](c1ccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000844182791 595294954 /nfs/dbraw/zinc/29/49/54/595294954.db2.gz MPSILMWVJSVLTG-CRAIPNDOSA-N 2 1 347.459 1.787 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844184350 595295699 /nfs/dbraw/zinc/29/56/99/595295699.db2.gz JWSBCKWXCPNKOR-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@@H](C)CCO)cc2)CC1 ZINC000844445690 595344229 /nfs/dbraw/zinc/34/42/29/595344229.db2.gz DDRWATVLEQZUDN-INIZCTEOSA-N 2 1 348.491 1.470 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000847293755 595389313 /nfs/dbraw/zinc/38/93/13/595389313.db2.gz GUFGUSVHNBDWFD-LJQANCHMSA-N 2 1 345.487 1.728 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000847409294 595413552 /nfs/dbraw/zinc/41/35/52/595413552.db2.gz SCIUECLBYCIGDB-ROUUACIJSA-N 2 1 331.460 1.384 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1NCCC[N@@H+](CC)C1CCCCC1 ZINC000844922635 595414785 /nfs/dbraw/zinc/41/47/85/595414785.db2.gz OPLKMZKNPWNSKZ-IAGOWNOFSA-N 2 1 325.497 1.914 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCC[N@H+](CC)C1CCCCC1 ZINC000844922635 595414786 /nfs/dbraw/zinc/41/47/86/595414786.db2.gz OPLKMZKNPWNSKZ-IAGOWNOFSA-N 2 1 325.497 1.914 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC000844922635 595414787 /nfs/dbraw/zinc/41/47/87/595414787.db2.gz OPLKMZKNPWNSKZ-IAGOWNOFSA-N 2 1 325.497 1.914 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](O)CC(C)C)CC2)CC1 ZINC000847576212 595451227 /nfs/dbraw/zinc/45/12/27/595451227.db2.gz GMDCGZKQECWDBC-GOSISDBHSA-N 2 1 339.524 1.706 20 0 EDADMP Cn1c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cnc1Cl ZINC000848901733 595464786 /nfs/dbraw/zinc/46/47/86/595464786.db2.gz AZTJDDDVYPPNIY-UHFFFAOYSA-N 2 1 339.915 1.923 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)COc1cccc(F)c1 ZINC000849059804 595476780 /nfs/dbraw/zinc/47/67/80/595476780.db2.gz OQFNRUASVIORNX-GJZGRUSLSA-N 2 1 338.427 1.164 20 0 EDADMP COc1ccccc1C(C)(C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849066061 595477146 /nfs/dbraw/zinc/47/71/46/595477146.db2.gz TTXJTJCIDGWBMU-UHFFFAOYSA-N 2 1 348.491 1.809 20 0 EDADMP CCOCCCNC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000849073140 595478455 /nfs/dbraw/zinc/47/84/55/595478455.db2.gz MPRSYMGVOTYMLI-UHFFFAOYSA-N 2 1 348.495 1.134 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000849349489 595509724 /nfs/dbraw/zinc/50/97/24/595509724.db2.gz AWBQQTPPIZHWMO-KRWDZBQOSA-N 2 1 331.460 1.762 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849486026 595547756 /nfs/dbraw/zinc/54/77/56/595547756.db2.gz DOMKBQWYWKPQQF-MSOLQXFVSA-N 2 1 347.507 1.446 20 0 EDADMP CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849488477 595549195 /nfs/dbraw/zinc/54/91/95/595549195.db2.gz OQWJPDNAFARXRL-ZWKOTPCHSA-N 2 1 347.507 1.446 20 0 EDADMP CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849488472 595549375 /nfs/dbraw/zinc/54/93/75/595549375.db2.gz OQWJPDNAFARXRL-MSOLQXFVSA-N 2 1 347.507 1.446 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C[N@H+]1C1CC1 ZINC000849559313 595567658 /nfs/dbraw/zinc/56/76/58/595567658.db2.gz TUNRUQRJUWSXMR-HUHSQHJXSA-N 2 1 345.491 1.197 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C[NH+]1C1CC1 ZINC000849559313 595567661 /nfs/dbraw/zinc/56/76/61/595567661.db2.gz TUNRUQRJUWSXMR-HUHSQHJXSA-N 2 1 345.491 1.197 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C[NH+]1C1CC1 ZINC000849559313 595567665 /nfs/dbraw/zinc/56/76/65/595567665.db2.gz TUNRUQRJUWSXMR-HUHSQHJXSA-N 2 1 345.491 1.197 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849577368 595579503 /nfs/dbraw/zinc/57/95/03/595579503.db2.gz HWNIAZAEQIJSBN-OKZBNKHCSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849577368 595579506 /nfs/dbraw/zinc/57/95/06/595579506.db2.gz HWNIAZAEQIJSBN-OKZBNKHCSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849577368 595579508 /nfs/dbraw/zinc/57/95/08/595579508.db2.gz HWNIAZAEQIJSBN-OKZBNKHCSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849612371 595596433 /nfs/dbraw/zinc/59/64/33/595596433.db2.gz KNUFQQYYDLETIH-SJORKVTESA-N 2 1 349.523 1.738 20 0 EDADMP C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000852895863 595603860 /nfs/dbraw/zinc/60/38/60/595603860.db2.gz LGFNCSRZXPXQPA-JYYAWHABSA-N 2 1 344.459 1.600 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn(C)nc1C(F)(F)F ZINC000855345842 595679967 /nfs/dbraw/zinc/67/99/67/595679967.db2.gz IMEYKTHBEYUJBC-NSHDSACASA-N 2 1 349.401 1.441 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn(C)nc1C(F)(F)F ZINC000855345842 595679971 /nfs/dbraw/zinc/67/99/71/595679971.db2.gz IMEYKTHBEYUJBC-NSHDSACASA-N 2 1 349.401 1.441 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](O)c1ccccc1Cl ZINC000855346162 595680869 /nfs/dbraw/zinc/68/08/69/595680869.db2.gz PQCPZGTZIZHKCH-XJKSGUPXSA-N 2 1 341.883 1.762 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](O)c1ccccc1Cl ZINC000855346162 595680873 /nfs/dbraw/zinc/68/08/73/595680873.db2.gz PQCPZGTZIZHKCH-XJKSGUPXSA-N 2 1 341.883 1.762 20 0 EDADMP Cn1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c(Br)n1 ZINC000858126706 595707088 /nfs/dbraw/zinc/70/70/88/595707088.db2.gz GZKLZTZTXBKESR-UHFFFAOYSA-N 2 1 344.301 1.300 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000856255014 595936348 /nfs/dbraw/zinc/93/63/48/595936348.db2.gz GUQMLGFPRGVDID-IBGZPJMESA-N 2 1 345.487 1.462 20 0 EDADMP CCOC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000851956704 595985344 /nfs/dbraw/zinc/98/53/44/595985344.db2.gz ZVYXHIMMNJFGMB-GDBMZVCRSA-N 2 1 329.485 1.534 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214786 596006424 /nfs/dbraw/zinc/00/64/24/596006424.db2.gz SOTKXIFVXDYCLI-CRAIPNDOSA-N 2 1 333.476 1.864 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214786 596006429 /nfs/dbraw/zinc/00/64/29/596006429.db2.gz SOTKXIFVXDYCLI-CRAIPNDOSA-N 2 1 333.476 1.864 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnccn3)C2)ccn1 ZINC000856547721 596015923 /nfs/dbraw/zinc/01/59/23/596015923.db2.gz CFFJIXZMLSDWEX-GOSISDBHSA-N 2 1 327.432 1.977 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnccn3)C2)ccn1 ZINC000856547721 596015927 /nfs/dbraw/zinc/01/59/27/596015927.db2.gz CFFJIXZMLSDWEX-GOSISDBHSA-N 2 1 327.432 1.977 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnccn3)C2)ccn1 ZINC000856547721 596015930 /nfs/dbraw/zinc/01/59/30/596015930.db2.gz CFFJIXZMLSDWEX-GOSISDBHSA-N 2 1 327.432 1.977 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnccn3)C2)ccn1 ZINC000856547721 596015934 /nfs/dbraw/zinc/01/59/34/596015934.db2.gz CFFJIXZMLSDWEX-GOSISDBHSA-N 2 1 327.432 1.977 20 0 EDADMP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000861559644 596029737 /nfs/dbraw/zinc/02/97/37/596029737.db2.gz RGLHJXLGKBLUGY-HZPDHXFCSA-N 2 1 333.480 1.186 20 0 EDADMP CC[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000857102392 596158244 /nfs/dbraw/zinc/15/82/44/596158244.db2.gz RNRRSCWNOKQEOB-JQHSSLGASA-N 2 1 348.491 1.703 20 0 EDADMP CC[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000857102392 596158248 /nfs/dbraw/zinc/15/82/48/596158248.db2.gz RNRRSCWNOKQEOB-JQHSSLGASA-N 2 1 348.491 1.703 20 0 EDADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[C@@H]1C[NH+](C)CCO1 ZINC000857158587 596171416 /nfs/dbraw/zinc/17/14/16/596171416.db2.gz UFIVFFPSOJWRHQ-SNRMKQJTSA-N 2 1 345.487 1.945 20 0 EDADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@@H]1C[NH+](C)CCO1 ZINC000857158587 596171418 /nfs/dbraw/zinc/17/14/18/596171418.db2.gz UFIVFFPSOJWRHQ-SNRMKQJTSA-N 2 1 345.487 1.945 20 0 EDADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000857158587 596171421 /nfs/dbraw/zinc/17/14/21/596171421.db2.gz UFIVFFPSOJWRHQ-SNRMKQJTSA-N 2 1 345.487 1.945 20 0 EDADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000857158587 596171423 /nfs/dbraw/zinc/17/14/23/596171423.db2.gz UFIVFFPSOJWRHQ-SNRMKQJTSA-N 2 1 345.487 1.945 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)Cn3nccc3C)CC2)CC1 ZINC000862018989 596183778 /nfs/dbraw/zinc/18/37/78/596183778.db2.gz IORIWQHTKNADQQ-UHFFFAOYSA-N 2 1 333.480 1.210 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)Cn3nccc3C)CC2)CC1 ZINC000862018989 596183782 /nfs/dbraw/zinc/18/37/82/596183782.db2.gz IORIWQHTKNADQQ-UHFFFAOYSA-N 2 1 333.480 1.210 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(CC[C@@H]3CC3(Cl)Cl)nn2)CC1 ZINC000864633338 596291682 /nfs/dbraw/zinc/29/16/82/596291682.db2.gz GMLJOILJPYDHAA-LLVKDONJSA-N 2 1 332.279 1.828 20 0 EDADMP CNC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000866685398 596293998 /nfs/dbraw/zinc/29/39/98/596293998.db2.gz KWBLRSOBSLVILD-HOTGVXAUSA-N 2 1 334.464 1.521 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000870891565 596391970 /nfs/dbraw/zinc/39/19/70/596391970.db2.gz FQAIRCYBCFICNP-OQIJWPOYSA-N 2 1 345.487 1.910 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000870891565 596391972 /nfs/dbraw/zinc/39/19/72/596391972.db2.gz FQAIRCYBCFICNP-OQIJWPOYSA-N 2 1 345.487 1.910 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc([C@@H](F)[C@@H]4CC[NH2+]C4)n3)cn2)CC1 ZINC000863669330 596651829 /nfs/dbraw/zinc/65/18/29/596651829.db2.gz VFLNGCXHUWIFKY-DOMZBBRYSA-N 2 1 346.410 1.504 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC[NH+]3CCc4sccc4C3)CC[C@@H]21 ZINC000868130043 596696726 /nfs/dbraw/zinc/69/67/26/596696726.db2.gz GWJZGQPMARAOQP-ZBFHGGJFSA-N 2 1 348.516 1.842 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC[NH+]3CCc4sccc4C3)CC[C@@H]21 ZINC000868130043 596696728 /nfs/dbraw/zinc/69/67/28/596696728.db2.gz GWJZGQPMARAOQP-ZBFHGGJFSA-N 2 1 348.516 1.842 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)CC[C@@H]21 ZINC000868130043 596696730 /nfs/dbraw/zinc/69/67/30/596696730.db2.gz GWJZGQPMARAOQP-ZBFHGGJFSA-N 2 1 348.516 1.842 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)CC[C@@H]21 ZINC000868130043 596696732 /nfs/dbraw/zinc/69/67/32/596696732.db2.gz GWJZGQPMARAOQP-ZBFHGGJFSA-N 2 1 348.516 1.842 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000868181200 596714015 /nfs/dbraw/zinc/71/40/15/596714015.db2.gz FEWODHLWKSODHX-JCGIZDLHSA-N 2 1 344.459 1.687 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3c[nH]nc32)C[C@H]1C[NH+](C)C ZINC000870024334 596714005 /nfs/dbraw/zinc/71/40/05/596714005.db2.gz YYSLLXVYZSMVIG-HUUCEWRRSA-N 2 1 329.448 1.374 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868229747 596736081 /nfs/dbraw/zinc/73/60/81/596736081.db2.gz UNTLVORMKBGBLL-DLBZAZTESA-N 2 1 344.459 1.382 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000863969240 596737364 /nfs/dbraw/zinc/73/73/64/596737364.db2.gz SOHYKXAHQBSFPZ-HSFUPAIVSA-N 2 1 326.481 1.082 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868232183 596738172 /nfs/dbraw/zinc/73/81/72/596738172.db2.gz MRWBBUCIMCXMTH-GLZXHMCRSA-N 2 1 342.443 1.039 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CCSC1 ZINC000868356267 596798856 /nfs/dbraw/zinc/79/88/56/596798856.db2.gz VBEUQKVMGWTQAO-AEFFLSMTSA-N 2 1 348.516 1.910 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CCSC1 ZINC000868356267 596798858 /nfs/dbraw/zinc/79/88/58/596798858.db2.gz VBEUQKVMGWTQAO-AEFFLSMTSA-N 2 1 348.516 1.910 20 0 EDADMP O[C@]1(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC[N@H+](Cc2ccccc2)C1 ZINC000872218985 596840828 /nfs/dbraw/zinc/84/08/28/596840828.db2.gz CGVFDZUGJLCWJT-KYRVCDIISA-N 2 1 328.456 1.636 20 0 EDADMP O[C@]1(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC[N@@H+](Cc2ccccc2)C1 ZINC000872218985 596840830 /nfs/dbraw/zinc/84/08/30/596840830.db2.gz CGVFDZUGJLCWJT-KYRVCDIISA-N 2 1 328.456 1.636 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1OC ZINC000872254658 596855746 /nfs/dbraw/zinc/85/57/46/596855746.db2.gz JBWZEARYUIKUCK-LZWOXQAQSA-N 2 1 347.415 1.071 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000872254706 596855908 /nfs/dbraw/zinc/85/59/08/596855908.db2.gz BZHYIZCNSIVRBM-OWCLPIDISA-N 2 1 328.416 1.022 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000872255310 596856624 /nfs/dbraw/zinc/85/66/24/596856624.db2.gz BBYLVLHSUDVGSH-OKZBNKHCSA-N 2 1 327.428 1.931 20 0 EDADMP C[C@H](C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccc(F)cc1 ZINC000872257581 596857365 /nfs/dbraw/zinc/85/73/65/596857365.db2.gz UBYYVDIWJCKUIT-YYQUZTFQSA-N 2 1 333.407 1.796 20 0 EDADMP C[C@@H](C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccc(F)cc1 ZINC000872257576 596857469 /nfs/dbraw/zinc/85/74/69/596857469.db2.gz UBYYVDIWJCKUIT-DXEWXGHRSA-N 2 1 333.407 1.796 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000872280196 596865606 /nfs/dbraw/zinc/86/56/06/596865606.db2.gz PBCVSVWXIOXPAE-VCBZYWHSSA-N 2 1 342.443 1.140 20 0 EDADMP CCN1C(=O)CN(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)C1=O ZINC000122205145 596887910 /nfs/dbraw/zinc/88/79/10/596887910.db2.gz QPYCNJSQUTUMEF-UHFFFAOYSA-N 2 1 332.448 1.812 20 0 EDADMP CCN1C(=O)CN(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)C1=O ZINC000122205145 596887912 /nfs/dbraw/zinc/88/79/12/596887912.db2.gz QPYCNJSQUTUMEF-UHFFFAOYSA-N 2 1 332.448 1.812 20 0 EDADMP CC(C)[C@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)[NH+]1CCC(C)CC1 ZINC000866485687 596892496 /nfs/dbraw/zinc/89/24/96/596892496.db2.gz PJRMWLGTOQEHNA-INIZCTEOSA-N 2 1 345.553 1.757 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C[NH+]3CCCC3)c2)CCO1 ZINC000874186768 596961168 /nfs/dbraw/zinc/96/11/68/596961168.db2.gz QCVNRLBURKPWGJ-MRXNPFEDSA-N 2 1 331.460 1.619 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C[NH+]3CCCC3)c2)CCO1 ZINC000874186768 596961170 /nfs/dbraw/zinc/96/11/70/596961170.db2.gz QCVNRLBURKPWGJ-MRXNPFEDSA-N 2 1 331.460 1.619 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1 ZINC000872664185 597019427 /nfs/dbraw/zinc/01/94/27/597019427.db2.gz QEFKOHHXAHFQBV-SJORKVTESA-N 2 1 337.489 1.605 20 0 EDADMP C[NH+]1CCC(CNC(=O)N2CCC[N@@H+](C)CC2)(c2ccccc2)CC1 ZINC000876075871 597080814 /nfs/dbraw/zinc/08/08/14/597080814.db2.gz XNRZQOAEFIZUKE-UHFFFAOYSA-N 2 1 344.503 1.997 20 0 EDADMP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C ZINC000873055370 597173687 /nfs/dbraw/zinc/17/36/87/597173687.db2.gz HYPXTLZQZHMZGA-GASCZTMLSA-N 2 1 337.464 1.791 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000873111030 597199343 /nfs/dbraw/zinc/19/93/43/597199343.db2.gz CESCJEXMUZUZEC-JKSUJKDBSA-N 2 1 330.432 1.040 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876713004 597300489 /nfs/dbraw/zinc/30/04/89/597300489.db2.gz WPUCAVQBKRHPSI-SJORKVTESA-N 2 1 335.423 1.083 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)[NH+]1CCOCC1 ZINC000876716947 597302760 /nfs/dbraw/zinc/30/27/60/597302760.db2.gz RJHRSYRVCFGASZ-LMMKCTJWSA-N 2 1 337.508 1.772 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3(C)C)c2)CCO1 ZINC000876738214 597315313 /nfs/dbraw/zinc/31/53/13/597315313.db2.gz XUDWYHKALJMUJP-ZTFGCOKTSA-N 2 1 345.487 1.897 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3(C)C)c2)CCO1 ZINC000876738214 597315317 /nfs/dbraw/zinc/31/53/17/597315317.db2.gz XUDWYHKALJMUJP-ZTFGCOKTSA-N 2 1 345.487 1.897 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000876739448 597315902 /nfs/dbraw/zinc/31/59/02/597315902.db2.gz GEIRJSKHVBVJCR-BXUZGUMPSA-N 2 1 340.265 1.907 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000876765898 597330628 /nfs/dbraw/zinc/33/06/28/597330628.db2.gz WMKJDVDOPZLHGA-ISMNZJHXSA-N 2 1 337.508 1.795 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)(N2CCCCC2)CC1 ZINC000876785023 597339415 /nfs/dbraw/zinc/33/94/15/597339415.db2.gz ODYJJFUETVOCLV-JKSUJKDBSA-N 2 1 340.487 1.001 20 0 EDADMP CC(C)(C)OC(=O)N1[C@@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)COC1(C)C ZINC000876818208 597351140 /nfs/dbraw/zinc/35/11/40/597351140.db2.gz RQVVMDKXEPJEGR-MCIONIFRSA-N 2 1 325.453 1.510 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000876955991 597395844 /nfs/dbraw/zinc/39/58/44/597395844.db2.gz DIYIUCCKJXBAKP-HZPDHXFCSA-N 2 1 347.507 1.966 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876961780 597398001 /nfs/dbraw/zinc/39/80/01/597398001.db2.gz XASQURFCQMPLMU-GGPKGHCWSA-N 2 1 343.471 1.402 20 0 EDADMP C[NH2+]CCOCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000877023777 597414758 /nfs/dbraw/zinc/41/47/58/597414758.db2.gz FCAWISJPOYCHFO-SFHVURJKSA-N 2 1 345.487 1.641 20 0 EDADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877033301 597417406 /nfs/dbraw/zinc/41/74/06/597417406.db2.gz VYCCEWPXITWREN-KVSKMBFKSA-N 2 1 343.471 1.898 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000877228697 597469178 /nfs/dbraw/zinc/46/91/78/597469178.db2.gz CLLZDNKFWSUZNE-LZQZEXGQSA-N 2 1 345.487 1.700 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000877228697 597469179 /nfs/dbraw/zinc/46/91/79/597469179.db2.gz CLLZDNKFWSUZNE-LZQZEXGQSA-N 2 1 345.487 1.700 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000877229163 597469181 /nfs/dbraw/zinc/46/91/81/597469181.db2.gz IELCCPQWZKJKSF-SFHVURJKSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000877229163 597469182 /nfs/dbraw/zinc/46/91/82/597469182.db2.gz IELCCPQWZKJKSF-SFHVURJKSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000877230537 597469847 /nfs/dbraw/zinc/46/98/47/597469847.db2.gz DRNJZWVSNVGZOX-GJZGRUSLSA-N 2 1 341.402 1.295 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000877230537 597469848 /nfs/dbraw/zinc/46/98/48/597469848.db2.gz DRNJZWVSNVGZOX-GJZGRUSLSA-N 2 1 341.402 1.295 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285335 597486906 /nfs/dbraw/zinc/48/69/06/597486906.db2.gz ZLZZZSBKXFLXLI-KZNAEPCWSA-N 2 1 328.460 1.647 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(Cl)nn1 ZINC000877525342 597530724 /nfs/dbraw/zinc/53/07/24/597530724.db2.gz ZXCLCISRJPNYQQ-HNNXBMFYSA-N 2 1 325.888 1.978 20 0 EDADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2)C1 ZINC000877624331 597542259 /nfs/dbraw/zinc/54/22/59/597542259.db2.gz NJKASGLCECBBOH-MRXNPFEDSA-N 2 1 332.835 1.986 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2)C1 ZINC000877624331 597542260 /nfs/dbraw/zinc/54/22/60/597542260.db2.gz NJKASGLCECBBOH-MRXNPFEDSA-N 2 1 332.835 1.986 20 0 EDADMP COc1ccc(OCC[N@H+](C)CC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000877938353 597565100 /nfs/dbraw/zinc/56/51/00/597565100.db2.gz CIVUHAUTJDHXNF-UHFFFAOYSA-N 2 1 335.448 1.216 20 0 EDADMP COc1ccc(OCC[N@@H+](C)CC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000877938353 597565101 /nfs/dbraw/zinc/56/51/01/597565101.db2.gz CIVUHAUTJDHXNF-UHFFFAOYSA-N 2 1 335.448 1.216 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](COC)[C@H]2CCCOC2)CC1 ZINC000883172534 597676855 /nfs/dbraw/zinc/67/68/55/597676855.db2.gz KPDBUZYCPUTYMG-ROUUACIJSA-N 2 1 327.513 1.435 20 0 EDADMP COc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](C)CC2)cc1Cl ZINC000878712471 597687271 /nfs/dbraw/zinc/68/72/71/597687271.db2.gz YMURDUNRACEHNU-UHFFFAOYSA-N 2 1 339.867 1.991 20 0 EDADMP COc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](C)CC2)cc1Cl ZINC000878712471 597687274 /nfs/dbraw/zinc/68/72/74/597687274.db2.gz YMURDUNRACEHNU-UHFFFAOYSA-N 2 1 339.867 1.991 20 0 EDADMP CC(C)C[N@@H+](C[C@@H](O)COC[C@@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000879702674 597694792 /nfs/dbraw/zinc/69/47/92/597694792.db2.gz UOTYHNSECOODPA-MOPGFXCFSA-N 2 1 342.524 1.843 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](CCCOC(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000883424063 597741824 /nfs/dbraw/zinc/74/18/24/597741824.db2.gz DRQKQPJJBFGLFQ-QWHCGFSZSA-N 2 1 337.386 1.493 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@H]3CCC4(CCOCC4)O3)C2)C1 ZINC000883434375 597744697 /nfs/dbraw/zinc/74/46/97/597744697.db2.gz PBSKZMMLJRHJOY-TVFCKZIOSA-N 2 1 338.492 1.933 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883439632 597747377 /nfs/dbraw/zinc/74/73/77/597747377.db2.gz WNONCXSSDJYMLA-RQJABVFESA-N 2 1 329.391 1.679 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CC3(CO2)CCOCC3)CCO1 ZINC000879001536 597781101 /nfs/dbraw/zinc/78/11/01/597781101.db2.gz ZVAMINIEOQCGSR-IRXDYDNUSA-N 2 1 326.481 1.615 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)CCO1 ZINC000879001536 597781102 /nfs/dbraw/zinc/78/11/02/597781102.db2.gz ZVAMINIEOQCGSR-IRXDYDNUSA-N 2 1 326.481 1.615 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000883572612 597807694 /nfs/dbraw/zinc/80/76/94/597807694.db2.gz LIKDFDJLVYDTBD-JQHSSLGASA-N 2 1 330.476 1.900 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000883572612 597807699 /nfs/dbraw/zinc/80/76/99/597807699.db2.gz LIKDFDJLVYDTBD-JQHSSLGASA-N 2 1 330.476 1.900 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000883572612 597807702 /nfs/dbraw/zinc/80/77/02/597807702.db2.gz LIKDFDJLVYDTBD-JQHSSLGASA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000883639754 597842042 /nfs/dbraw/zinc/84/20/42/597842042.db2.gz YFILVZCALYEEFQ-QGZVFWFLSA-N 2 1 348.491 1.653 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCCCCNC(=O)CC2)CC1 ZINC000879256257 597866673 /nfs/dbraw/zinc/86/66/73/597866673.db2.gz ZFXGHIJFNAFJNJ-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP CC1(C)[C@H](NC(=O)c2sc3c(c2Br)C[NH2+]C3)C[C@@H]1[NH3+] ZINC000884363268 598082028 /nfs/dbraw/zinc/08/20/28/598082028.db2.gz ZKBHIJNCKKREHH-DTWKUNHWSA-N 2 1 344.278 1.969 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCCCCC[NH3+])C1 ZINC000884502103 598123410 /nfs/dbraw/zinc/12/34/10/598123410.db2.gz BEGPZLQUQPKAJU-MRXNPFEDSA-N 2 1 340.512 1.201 20 0 EDADMP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H]2CC[N@H+]2C)cc1 ZINC000916653504 696710104 /nfs/dbraw/zinc/71/01/04/696710104.db2.gz LBMYIQJAAMCZQU-MRXNPFEDSA-N 2 1 334.464 1.520 20 0 EDADMP CO[C@@H](C)CN1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001030987332 695092464 /nfs/dbraw/zinc/09/24/64/695092464.db2.gz NCXNKUJNCYIQTM-QGTPRVQTSA-N 2 1 331.460 1.167 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000914160493 695171622 /nfs/dbraw/zinc/17/16/22/695171622.db2.gz FFCSOUZULKPIFR-NUEKZKHPSA-N 2 1 338.521 1.350 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)C[NH+]1CCCC1 ZINC000914243824 695303469 /nfs/dbraw/zinc/30/34/69/695303469.db2.gz UTABGROSJMLNEJ-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](CC[C@H]3CCOC3)C2)cc1 ZINC001031104574 695527810 /nfs/dbraw/zinc/52/78/10/695527810.db2.gz WQELFKJHYMYLEO-INIZCTEOSA-N 2 1 331.460 1.589 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000915322730 695790721 /nfs/dbraw/zinc/79/07/21/695790721.db2.gz DJDYSUBWSGDUHG-UHFFFAOYSA-N 2 1 331.464 1.608 20 0 EDADMP CCO[C@@H](CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)C[NH+](C)C ZINC000915656959 695964135 /nfs/dbraw/zinc/96/41/35/695964135.db2.gz GGHTWGNCLFLBJS-HIFRSBDPSA-N 2 1 325.457 1.094 20 0 EDADMP O=C(NC1C[NH+](C[C@@H]2CCCC(F)(F)C2)C1)C12CC[NH+](CC1)C2 ZINC001031266465 696079338 /nfs/dbraw/zinc/07/93/38/696079338.db2.gz SRXRHAKVBHGYGE-CYBMUJFWSA-N 2 1 327.419 1.708 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccns1 ZINC000993765879 696363192 /nfs/dbraw/zinc/36/31/92/696363192.db2.gz WJHVLSGJCULDLI-CJNGLKHVSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccns1 ZINC000993765879 696363194 /nfs/dbraw/zinc/36/31/94/696363194.db2.gz WJHVLSGJCULDLI-CJNGLKHVSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccns1 ZINC000993765875 696363220 /nfs/dbraw/zinc/36/32/20/696363220.db2.gz WJHVLSGJCULDLI-BBRMVZONSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccns1 ZINC000993765875 696363222 /nfs/dbraw/zinc/36/32/22/696363222.db2.gz WJHVLSGJCULDLI-BBRMVZONSA-N 2 1 336.505 1.954 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000916117311 696622953 /nfs/dbraw/zinc/62/29/53/696622953.db2.gz LNMAYSSEANURQX-QGZVFWFLSA-N 2 1 333.480 1.858 20 0 EDADMP CC[N@@H+](CCNC(=O)NCc1nc(CN(C)C)cs1)C1CC1 ZINC000916117351 696623036 /nfs/dbraw/zinc/62/30/36/696623036.db2.gz MIRCVNVWLCAVFH-UHFFFAOYSA-N 2 1 325.482 1.488 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)ncn1 ZINC000994257058 696664554 /nfs/dbraw/zinc/66/45/54/696664554.db2.gz SFQWRAWDOGXKNM-RDJZCZTQSA-N 2 1 343.475 1.350 20 0 EDADMP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)ncn1 ZINC000994257058 696664555 /nfs/dbraw/zinc/66/45/55/696664555.db2.gz SFQWRAWDOGXKNM-RDJZCZTQSA-N 2 1 343.475 1.350 20 0 EDADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000916842799 696797618 /nfs/dbraw/zinc/79/76/18/696797618.db2.gz PRBCGTPXGJVHIW-BRWVUGGUSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000916842799 696797621 /nfs/dbraw/zinc/79/76/21/696797621.db2.gz PRBCGTPXGJVHIW-BRWVUGGUSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000916842799 696797623 /nfs/dbraw/zinc/79/76/23/696797623.db2.gz PRBCGTPXGJVHIW-BRWVUGGUSA-N 2 1 338.496 1.221 20 0 EDADMP Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000940008621 700110386 /nfs/dbraw/zinc/11/03/86/700110386.db2.gz WAVPGYFZSMBPJC-QGZVFWFLSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)[C@H]1C ZINC000994500962 696944552 /nfs/dbraw/zinc/94/45/52/696944552.db2.gz AJMNMTTWLOAZJP-CZUORRHYSA-N 2 1 331.420 1.657 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)[C@H]1C ZINC000994500962 696944555 /nfs/dbraw/zinc/94/45/55/696944555.db2.gz AJMNMTTWLOAZJP-CZUORRHYSA-N 2 1 331.420 1.657 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000918210187 697142423 /nfs/dbraw/zinc/14/24/23/697142423.db2.gz SGEBAZHLIPHXDS-LSDHHAIUSA-N 2 1 328.526 1.597 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000918210187 697142426 /nfs/dbraw/zinc/14/24/26/697142426.db2.gz SGEBAZHLIPHXDS-LSDHHAIUSA-N 2 1 328.526 1.597 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000918210187 697142428 /nfs/dbraw/zinc/14/24/28/697142428.db2.gz SGEBAZHLIPHXDS-LSDHHAIUSA-N 2 1 328.526 1.597 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC2([NH+](C)C)CC2)[C@@H](C)C1 ZINC000919050631 697236858 /nfs/dbraw/zinc/23/68/58/697236858.db2.gz KOEFXMVBTCPMRH-HOTGVXAUSA-N 2 1 340.512 1.517 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc3cccnc32)C1 ZINC001031579684 697275401 /nfs/dbraw/zinc/27/54/01/697275401.db2.gz JVXGOMZQZANIIN-GOSISDBHSA-N 2 1 338.455 1.877 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2OC2CC2)C1 ZINC001031585030 697280666 /nfs/dbraw/zinc/28/06/66/697280666.db2.gz OIYIFQXZESXXMZ-GOSISDBHSA-N 2 1 343.471 1.870 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2OC2CC2)C1 ZINC001031585030 697280667 /nfs/dbraw/zinc/28/06/67/697280667.db2.gz OIYIFQXZESXXMZ-GOSISDBHSA-N 2 1 343.471 1.870 20 0 EDADMP CCc1ccc([C@@H](O)C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001031585261 697280953 /nfs/dbraw/zinc/28/09/53/697280953.db2.gz USSHMKDGMWOWNZ-MOPGFXCFSA-N 2 1 345.487 1.425 20 0 EDADMP CCn1cc(CC[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC001031666847 697451614 /nfs/dbraw/zinc/45/16/14/697451614.db2.gz SCYMYHVKUIRUEX-SFHVURJKSA-N 2 1 347.507 1.366 20 0 EDADMP COc1ccc(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681236 697504082 /nfs/dbraw/zinc/50/40/82/697504082.db2.gz JYEOJHQKRWBQLU-CRAIPNDOSA-N 2 1 345.487 1.892 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnc(C)cn2)C1 ZINC000995034104 700158151 /nfs/dbraw/zinc/15/81/51/700158151.db2.gz CSOJVHSTFAKSJA-HZPDHXFCSA-N 2 1 342.447 1.365 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2snnc2C)C1 ZINC000995034979 700166752 /nfs/dbraw/zinc/16/67/52/700166752.db2.gz GIYFGUXZUVOUCH-KBPBESRZSA-N 2 1 348.476 1.426 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2oc(CC)nc2C)C1 ZINC001031713793 697731934 /nfs/dbraw/zinc/73/19/34/697731934.db2.gz FUBDGGRWAJENIV-INIZCTEOSA-N 2 1 348.491 1.968 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2oc(CC)nc2C)C1 ZINC001031713793 697731937 /nfs/dbraw/zinc/73/19/37/697731937.db2.gz FUBDGGRWAJENIV-INIZCTEOSA-N 2 1 348.491 1.968 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3csnn3)CC2)CC[N@H+]1C ZINC000940120984 700254152 /nfs/dbraw/zinc/25/41/52/700254152.db2.gz WOSMLBWRWIYPON-TZMCWYRMSA-N 2 1 337.493 1.349 20 0 EDADMP CC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000940124492 700258096 /nfs/dbraw/zinc/25/80/96/700258096.db2.gz FJUXREHXHNYSPX-SJORKVTESA-N 2 1 335.492 1.620 20 0 EDADMP O=C(NCC1CN(Cc2cccnc2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031766667 699064491 /nfs/dbraw/zinc/06/44/91/699064491.db2.gz LKOZKVDZRJKFQG-QZTJIDSGSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031766667 699064494 /nfs/dbraw/zinc/06/44/94/699064494.db2.gz LKOZKVDZRJKFQG-QZTJIDSGSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031766667 699064496 /nfs/dbraw/zinc/06/44/96/699064496.db2.gz LKOZKVDZRJKFQG-QZTJIDSGSA-N 2 1 328.460 1.647 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031775884 699148076 /nfs/dbraw/zinc/14/80/76/699148076.db2.gz BOBYWZNCGRNLAE-MRXNPFEDSA-N 2 1 334.464 1.578 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031775884 699148078 /nfs/dbraw/zinc/14/80/78/699148078.db2.gz BOBYWZNCGRNLAE-MRXNPFEDSA-N 2 1 334.464 1.578 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cscn1 ZINC000939137076 699224031 /nfs/dbraw/zinc/22/40/31/699224031.db2.gz DXTGWFKHLSQLQP-UKRRQHHQSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cscn1 ZINC000939137076 699224032 /nfs/dbraw/zinc/22/40/32/699224032.db2.gz DXTGWFKHLSQLQP-UKRRQHHQSA-N 2 1 336.505 1.812 20 0 EDADMP CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941603757 701593643 /nfs/dbraw/zinc/59/36/43/701593643.db2.gz NZMITYSBXXFTOV-MJGOQNOKSA-N 2 1 348.535 1.632 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995042220 700278067 /nfs/dbraw/zinc/27/80/67/700278067.db2.gz ZYCGTTDHEIEHPZ-PBHICJAKSA-N 2 1 345.422 1.800 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000940154291 700284663 /nfs/dbraw/zinc/28/46/63/700284663.db2.gz URWWEFMMBVXEEP-UHFFFAOYSA-N 2 1 347.507 1.684 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000940164777 700300122 /nfs/dbraw/zinc/30/01/22/700300122.db2.gz WWCTWOZMWGIAPV-HNNXBMFYSA-N 2 1 337.468 1.435 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)n1 ZINC000940176302 700308293 /nfs/dbraw/zinc/30/82/93/700308293.db2.gz DSGRHYLYWCMSFG-CYBMUJFWSA-N 2 1 337.468 1.443 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000940179469 700313133 /nfs/dbraw/zinc/31/31/33/700313133.db2.gz VGCZBSQOOBCOCA-OAHLLOKOSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000940327489 700504210 /nfs/dbraw/zinc/50/42/10/700504210.db2.gz FGPNCZTXRLWNPI-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000940328098 700505815 /nfs/dbraw/zinc/50/58/15/700505815.db2.gz FNEBXNKJYQLURO-RHSMWYFYSA-N 2 1 347.507 1.397 20 0 EDADMP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000940328364 700506478 /nfs/dbraw/zinc/50/64/78/700506478.db2.gz HUHAISUTMRVIGJ-GDBMZVCRSA-N 2 1 348.491 1.905 20 0 EDADMP Cn1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)n1 ZINC000940328926 700507941 /nfs/dbraw/zinc/50/79/41/700507941.db2.gz NUSUHRALRILMMX-UHFFFAOYSA-N 2 1 348.495 1.018 20 0 EDADMP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000940328942 700508002 /nfs/dbraw/zinc/50/80/02/700508002.db2.gz OCSZDUOAHRTMDX-ZDUSSCGKSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000940329470 700508774 /nfs/dbraw/zinc/50/87/74/700508774.db2.gz TYDBIXGYIPDTQN-ZBFHGGJFSA-N 2 1 345.491 1.453 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccccc3)CC2)C1 ZINC000940466795 700652874 /nfs/dbraw/zinc/65/28/74/700652874.db2.gz GZJVXKABLKSRQI-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccccc3)CC2)C1 ZINC000940466795 700652877 /nfs/dbraw/zinc/65/28/77/700652877.db2.gz GZJVXKABLKSRQI-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736784 700877730 /nfs/dbraw/zinc/87/77/30/700877730.db2.gz JQTYJPKXGLIXNA-HZPDHXFCSA-N 2 1 325.497 1.722 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736784 700877732 /nfs/dbraw/zinc/87/77/32/700877732.db2.gz JQTYJPKXGLIXNA-HZPDHXFCSA-N 2 1 325.497 1.722 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940736784 700877734 /nfs/dbraw/zinc/87/77/34/700877734.db2.gz JQTYJPKXGLIXNA-HZPDHXFCSA-N 2 1 325.497 1.722 20 0 EDADMP Cn1ccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000995099857 700886029 /nfs/dbraw/zinc/88/60/29/700886029.db2.gz ARDREPQIESWRRV-HOTGVXAUSA-N 2 1 347.507 1.527 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)CC2(C)C)no1 ZINC000940853081 700953142 /nfs/dbraw/zinc/95/31/42/700953142.db2.gz KQFOXFSPXGHHAV-INIZCTEOSA-N 2 1 334.464 1.977 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)CC2(C)C)no1 ZINC000940853081 700953143 /nfs/dbraw/zinc/95/31/43/700953143.db2.gz KQFOXFSPXGHHAV-INIZCTEOSA-N 2 1 334.464 1.977 20 0 EDADMP CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000940896841 700973412 /nfs/dbraw/zinc/97/34/12/700973412.db2.gz ZJYPMGAJHQJENO-MRXNPFEDSA-N 2 1 330.432 1.547 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000940918104 700995707 /nfs/dbraw/zinc/99/57/07/700995707.db2.gz KSYIPBRPRWZVDI-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971831 701014583 /nfs/dbraw/zinc/01/45/83/701014583.db2.gz DIERFROVFNSOIE-HOTGVXAUSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971831 701014585 /nfs/dbraw/zinc/01/45/85/701014585.db2.gz DIERFROVFNSOIE-HOTGVXAUSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971831 701014587 /nfs/dbraw/zinc/01/45/87/701014587.db2.gz DIERFROVFNSOIE-HOTGVXAUSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971831 701014589 /nfs/dbraw/zinc/01/45/89/701014589.db2.gz DIERFROVFNSOIE-HOTGVXAUSA-N 2 1 325.497 1.722 20 0 EDADMP CC1(C)C[N@H+](CCO)CC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000941128347 701204672 /nfs/dbraw/zinc/20/46/72/701204672.db2.gz ZWIQNRWXNIWXEW-MRXNPFEDSA-N 2 1 343.431 1.090 20 0 EDADMP CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000941128347 701204675 /nfs/dbraw/zinc/20/46/75/701204675.db2.gz ZWIQNRWXNIWXEW-MRXNPFEDSA-N 2 1 343.431 1.090 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCn2cccn2)CC1(C)C ZINC000941223573 701413790 /nfs/dbraw/zinc/41/37/90/701413790.db2.gz HSLNTYXHQXLHBA-INIZCTEOSA-N 2 1 344.463 1.305 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)CC1(C)C ZINC000941223573 701413791 /nfs/dbraw/zinc/41/37/91/701413791.db2.gz HSLNTYXHQXLHBA-INIZCTEOSA-N 2 1 344.463 1.305 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)CC1(C)C ZINC000941236782 701427454 /nfs/dbraw/zinc/42/74/54/701427454.db2.gz AKYQPQIFTARVRC-MRXNPFEDSA-N 2 1 346.475 1.064 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)CC1(C)C ZINC000941236782 701427455 /nfs/dbraw/zinc/42/74/55/701427455.db2.gz AKYQPQIFTARVRC-MRXNPFEDSA-N 2 1 346.475 1.064 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC000999170773 706600391 /nfs/dbraw/zinc/60/03/91/706600391.db2.gz SIRWGAXWOVLHPT-IRXDYDNUSA-N 2 1 343.475 1.207 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cs1 ZINC000999174051 706605736 /nfs/dbraw/zinc/60/57/36/706605736.db2.gz NTTPLRIJKZTQEG-NVXWUHKLSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)c1 ZINC001031976794 701923420 /nfs/dbraw/zinc/92/34/20/701923420.db2.gz SOPDEUKHRMMYEM-RHSMWYFYSA-N 2 1 333.451 1.880 20 0 EDADMP Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC001031976794 701923423 /nfs/dbraw/zinc/92/34/23/701923423.db2.gz SOPDEUKHRMMYEM-RHSMWYFYSA-N 2 1 333.451 1.880 20 0 EDADMP C[C@H]1C[N@@H+](CCF)CC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000944044909 701998955 /nfs/dbraw/zinc/99/89/55/701998955.db2.gz BCGNIVJZYVRORJ-WMLDXEAASA-N 2 1 325.472 1.905 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000995805335 702050852 /nfs/dbraw/zinc/05/08/52/702050852.db2.gz UTTYSZNYQMHYON-HUUCEWRRSA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000995805335 702050860 /nfs/dbraw/zinc/05/08/60/702050860.db2.gz UTTYSZNYQMHYON-HUUCEWRRSA-N 2 1 348.495 1.015 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001032205849 702108045 /nfs/dbraw/zinc/10/80/45/702108045.db2.gz KIMDYHOTPJRWNL-HNNXBMFYSA-N 2 1 329.435 1.954 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2scnc2C)C1 ZINC001032206002 702122196 /nfs/dbraw/zinc/12/21/96/702122196.db2.gz OWKCGZYHDCAZOY-OAHLLOKOSA-N 2 1 336.505 1.874 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2scnc2C)C1 ZINC001032206002 702122198 /nfs/dbraw/zinc/12/21/98/702122198.db2.gz OWKCGZYHDCAZOY-OAHLLOKOSA-N 2 1 336.505 1.874 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001032206048 702126685 /nfs/dbraw/zinc/12/66/85/702126685.db2.gz QFJCBKQLSKGSEG-LJQANCHMSA-N 2 1 345.487 1.601 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCc3cnn(C)c3)C2)CC[N@H+]1C ZINC000999200032 706643439 /nfs/dbraw/zinc/64/34/39/706643439.db2.gz KYAMLYJMNKWIOM-OKZBNKHCSA-N 2 1 347.507 1.274 20 0 EDADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C)c1nncn1C ZINC000995886916 702224075 /nfs/dbraw/zinc/22/40/75/702224075.db2.gz LRZDYDLKFFDEAV-UONOGXRCSA-N 2 1 348.495 1.187 20 0 EDADMP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]Cc3cscn3)C(C)(C)C2)CCC1 ZINC000995889515 702229703 /nfs/dbraw/zinc/22/97/03/702229703.db2.gz VMGNTAUHZGURED-CQSZACIVSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995920782 702242507 /nfs/dbraw/zinc/24/25/07/702242507.db2.gz VNVBOSMCCTUXIP-MRXNPFEDSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995920782 702242509 /nfs/dbraw/zinc/24/25/09/702242509.db2.gz VNVBOSMCCTUXIP-MRXNPFEDSA-N 2 1 334.464 1.794 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCn1cccn1 ZINC001032664333 706656431 /nfs/dbraw/zinc/65/64/31/706656431.db2.gz XVARYHGCVCEFSF-BZSNNMDCSA-N 2 1 345.491 1.431 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCn1cccn1 ZINC001032664333 706656434 /nfs/dbraw/zinc/65/64/34/706656434.db2.gz XVARYHGCVCEFSF-BZSNNMDCSA-N 2 1 345.491 1.431 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1 ZINC001032664333 706656438 /nfs/dbraw/zinc/65/64/38/706656438.db2.gz XVARYHGCVCEFSF-BZSNNMDCSA-N 2 1 345.491 1.431 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1 ZINC001032664333 706656439 /nfs/dbraw/zinc/65/64/39/706656439.db2.gz XVARYHGCVCEFSF-BZSNNMDCSA-N 2 1 345.491 1.431 20 0 EDADMP COc1cccc([C@H](C)[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032186100 702315106 /nfs/dbraw/zinc/31/51/06/702315106.db2.gz IKVSKPIMXADSFJ-YOEHRIQHSA-N 2 1 331.460 1.756 20 0 EDADMP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cscn2)C(C)(C)C1 ZINC000995981005 702339244 /nfs/dbraw/zinc/33/92/44/702339244.db2.gz MGSBWIMWKIOALX-GJZGRUSLSA-N 2 1 336.505 1.954 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cscn2)C(C)(C)C1 ZINC000995981005 702339249 /nfs/dbraw/zinc/33/92/49/702339249.db2.gz MGSBWIMWKIOALX-GJZGRUSLSA-N 2 1 336.505 1.954 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000995982827 702342341 /nfs/dbraw/zinc/34/23/41/702342341.db2.gz PVGOURSRGFGCJG-IRXDYDNUSA-N 2 1 330.476 1.893 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nccs3)C2)CC[N@H+]1C ZINC000999209228 706662155 /nfs/dbraw/zinc/66/21/55/706662155.db2.gz OYKGCVTVJALDGN-QLFBSQMISA-N 2 1 336.505 1.954 20 0 EDADMP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]Cc1cnon1 ZINC000995992983 702370316 /nfs/dbraw/zinc/37/03/16/702370316.db2.gz AAIIYIXIDUIDJK-AWEZNQCLSA-N 2 1 333.436 1.025 20 0 EDADMP Cc1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC000995196920 702450556 /nfs/dbraw/zinc/45/05/56/702450556.db2.gz APJRFYZXKAFEJJ-HUUCEWRRSA-N 2 1 331.420 1.563 20 0 EDADMP Cc1csc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC000944156892 702453544 /nfs/dbraw/zinc/45/35/44/702453544.db2.gz WLHDNWHWSDICHF-HIFRSBDPSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1csc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC000944156892 702453549 /nfs/dbraw/zinc/45/35/49/702453549.db2.gz WLHDNWHWSDICHF-HIFRSBDPSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1nnc(CN[C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)o1 ZINC000996301490 702693433 /nfs/dbraw/zinc/69/34/33/702693433.db2.gz UFPLUXLZBICNST-OCCSQVGLSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)ncn1 ZINC000996302225 702694481 /nfs/dbraw/zinc/69/44/81/702694481.db2.gz WZYIVMXBOIQVCD-WMLDXEAASA-N 2 1 345.491 1.453 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996302682 702694755 /nfs/dbraw/zinc/69/47/55/702694755.db2.gz YSVQHJLAZCOQSE-DOTOQJQBSA-N 2 1 347.507 1.131 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)c(C)o1 ZINC000996302792 702694904 /nfs/dbraw/zinc/69/49/04/702694904.db2.gz ZHKKXDVBKHKMNL-CXAGYDPISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)c(C)o1 ZINC000996302792 702694905 /nfs/dbraw/zinc/69/49/05/702694905.db2.gz ZHKKXDVBKHKMNL-CXAGYDPISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)on1 ZINC000942256302 702747511 /nfs/dbraw/zinc/74/75/11/702747511.db2.gz DHVOEGOEBQVWOP-WMLDXEAASA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942257440 702748270 /nfs/dbraw/zinc/74/82/70/702748270.db2.gz LLADKHPSIPTDRR-RHSMWYFYSA-N 2 1 346.475 1.938 20 0 EDADMP CC(C)=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675564 706693890 /nfs/dbraw/zinc/69/38/90/706693890.db2.gz BJYZWKAGPVOJNP-IRXDYDNUSA-N 2 1 331.464 1.310 20 0 EDADMP CC(C)=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675564 706693893 /nfs/dbraw/zinc/69/38/93/706693893.db2.gz BJYZWKAGPVOJNP-IRXDYDNUSA-N 2 1 331.464 1.310 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000948439523 702905908 /nfs/dbraw/zinc/90/59/08/702905908.db2.gz QYQNSDYFZRSMHH-AEFFLSMTSA-N 2 1 337.508 1.699 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[C@@H]1CCC[NH+](CCO)CC1 ZINC000948439523 702905909 /nfs/dbraw/zinc/90/59/09/702905909.db2.gz QYQNSDYFZRSMHH-AEFFLSMTSA-N 2 1 337.508 1.699 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[C@@H]1CCC[NH+](CCO)CC1 ZINC000948439523 702905911 /nfs/dbraw/zinc/90/59/11/702905911.db2.gz QYQNSDYFZRSMHH-AEFFLSMTSA-N 2 1 337.508 1.699 20 0 EDADMP Cc1noc([C@@H](C)NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996603008 702912406 /nfs/dbraw/zinc/91/24/06/702912406.db2.gz LGYLLNCRVRQPOK-LALPHHSUSA-N 2 1 335.452 1.360 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000996603008 702912408 /nfs/dbraw/zinc/91/24/08/702912408.db2.gz LGYLLNCRVRQPOK-LALPHHSUSA-N 2 1 335.452 1.360 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996603008 702912410 /nfs/dbraw/zinc/91/24/10/702912410.db2.gz LGYLLNCRVRQPOK-LALPHHSUSA-N 2 1 335.452 1.360 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)o1 ZINC000996611319 702916334 /nfs/dbraw/zinc/91/63/34/702916334.db2.gz MAJUZWNBWIZMPB-MRXNPFEDSA-N 2 1 345.447 1.823 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([NH2+][C@@H](CC)C(N)=O)CC1 ZINC000996611360 702916572 /nfs/dbraw/zinc/91/65/72/702916572.db2.gz JIZCVOOUUPCSRH-ZFWWWQNUSA-N 2 1 349.479 1.241 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3cncc(F)c3)C(C)(C)C2)C1 ZINC000996614407 702919728 /nfs/dbraw/zinc/91/97/28/702919728.db2.gz NERPOMVAJPRVHL-HOCLYGCPSA-N 2 1 334.439 1.499 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)C1 ZINC000996616785 702923736 /nfs/dbraw/zinc/92/37/36/702923736.db2.gz UISSZDQPXUEBNH-UONOGXRCSA-N 2 1 329.435 1.810 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000996671855 702972766 /nfs/dbraw/zinc/97/27/66/702972766.db2.gz OLTABEOQCPTVBC-HUUCEWRRSA-N 2 1 348.495 1.016 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000996671855 702972769 /nfs/dbraw/zinc/97/27/69/702972769.db2.gz OLTABEOQCPTVBC-HUUCEWRRSA-N 2 1 348.495 1.016 20 0 EDADMP Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)cn1 ZINC000996677552 702976388 /nfs/dbraw/zinc/97/63/88/702976388.db2.gz KZMDGSBPMJHZOX-MRXNPFEDSA-N 2 1 342.447 1.275 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996677526 702976452 /nfs/dbraw/zinc/97/64/52/702976452.db2.gz KQTDSSYWNXJIFU-INIZCTEOSA-N 2 1 342.447 1.238 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2csnn2)CC1)[NH+](C)C ZINC000996686643 702993185 /nfs/dbraw/zinc/99/31/85/702993185.db2.gz FTWQVRCZRLUEQY-AWEZNQCLSA-N 2 1 325.482 1.205 20 0 EDADMP Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)cn1 ZINC000996711101 703005694 /nfs/dbraw/zinc/00/56/94/703005694.db2.gz JRXMFAKADQUMAY-ZWKOTPCHSA-N 2 1 345.491 1.518 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000996715414 703009961 /nfs/dbraw/zinc/00/99/61/703009961.db2.gz FYKLNDGHMWTGKI-DOTOQJQBSA-N 2 1 347.463 1.476 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)[nH]1 ZINC000996762573 703054625 /nfs/dbraw/zinc/05/46/25/703054625.db2.gz LXKZRLZMWFPHJR-MRXNPFEDSA-N 2 1 348.495 1.314 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000996799790 703085767 /nfs/dbraw/zinc/08/57/67/703085767.db2.gz YDGKJWTUFYYYBY-UHFFFAOYSA-N 2 1 345.447 1.831 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)co1 ZINC000942598462 703113583 /nfs/dbraw/zinc/11/35/83/703113583.db2.gz XVJLHPFPSZGUII-DYVFJYSZSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)co1 ZINC000942598462 703113585 /nfs/dbraw/zinc/11/35/85/703113585.db2.gz XVJLHPFPSZGUII-DYVFJYSZSA-N 2 1 334.464 1.651 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCOC3)CC2)C1 ZINC000996903015 703177587 /nfs/dbraw/zinc/17/75/87/703177587.db2.gz GKARPDCYRUGSDJ-SJORKVTESA-N 2 1 337.508 1.726 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC000996980557 703235962 /nfs/dbraw/zinc/23/59/62/703235962.db2.gz SFADYEGRQHPFKO-RHSMWYFYSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)no1 ZINC000996980557 703235965 /nfs/dbraw/zinc/23/59/65/703235965.db2.gz SFADYEGRQHPFKO-RHSMWYFYSA-N 2 1 334.464 1.794 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000996998344 703255305 /nfs/dbraw/zinc/25/53/05/703255305.db2.gz IKDOGCOFASIGPK-CQSZACIVSA-N 2 1 336.505 1.751 20 0 EDADMP CCn1cc(CC[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)cn1 ZINC000997001269 703258351 /nfs/dbraw/zinc/25/83/51/703258351.db2.gz TZZMVDHOJWJEPO-MRXNPFEDSA-N 2 1 347.507 1.510 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)nc1 ZINC000996996751 703260233 /nfs/dbraw/zinc/26/02/33/703260233.db2.gz ZVURGYPBBIYVHF-HNNXBMFYSA-N 2 1 331.464 1.350 20 0 EDADMP CC(C)n1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000997005311 703262242 /nfs/dbraw/zinc/26/22/42/703262242.db2.gz DHHWKBAHWGWRAY-YJBOKZPZSA-N 2 1 347.507 1.742 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)s1 ZINC000997008379 703266040 /nfs/dbraw/zinc/26/60/40/703266040.db2.gz LTHUEINQIXLYOE-BLLLJJGKSA-N 2 1 336.505 1.730 20 0 EDADMP CC(C)n1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1 ZINC000997008400 703266182 /nfs/dbraw/zinc/26/61/82/703266182.db2.gz LVZLHCQYBJULAH-YOEHRIQHSA-N 2 1 348.495 1.137 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)n1 ZINC000997009297 703270132 /nfs/dbraw/zinc/27/01/32/703270132.db2.gz JMMDQPABDSQDIK-AWEZNQCLSA-N 2 1 337.468 1.443 20 0 EDADMP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000997083467 703321876 /nfs/dbraw/zinc/32/18/76/703321876.db2.gz KVDJQJMSEAPQHU-IAGOWNOFSA-N 2 1 332.448 1.772 20 0 EDADMP O=C(N1CCC([NH2+]C[C@H]2CCCOC2)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000997218825 703496882 /nfs/dbraw/zinc/49/68/82/703496882.db2.gz DCKRIOXBJMJSPN-APWZRJJASA-N 2 1 335.492 1.480 20 0 EDADMP CC[C@H](C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC000997261469 703540358 /nfs/dbraw/zinc/54/03/58/703540358.db2.gz QXHOVHCTRRQLSG-DJIMGWMZSA-N 2 1 325.497 1.722 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ncc(Cl)s3)CC2)C1 ZINC000997299992 703557358 /nfs/dbraw/zinc/55/73/58/703557358.db2.gz SVBGRZBXZDJGKM-LLVKDONJSA-N 2 1 342.896 1.829 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)s1 ZINC000997310674 703567379 /nfs/dbraw/zinc/56/73/79/703567379.db2.gz RPPXWXNEKDUVRF-UHFFFAOYSA-N 2 1 348.476 1.386 20 0 EDADMP CCn1ccc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC000997311144 703567617 /nfs/dbraw/zinc/56/76/17/703567617.db2.gz WRUXPAXIHSYKOU-UHFFFAOYSA-N 2 1 330.436 1.189 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(C)o2)CC1 ZINC000997364282 703597652 /nfs/dbraw/zinc/59/76/52/703597652.db2.gz KJNMHVDDLAAXME-INIZCTEOSA-N 2 1 334.464 1.938 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032444471 703621647 /nfs/dbraw/zinc/62/16/47/703621647.db2.gz AASFPNQJILNAJT-YESZJQIVSA-N 2 1 344.459 1.472 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032444471 703621648 /nfs/dbraw/zinc/62/16/48/703621648.db2.gz AASFPNQJILNAJT-YESZJQIVSA-N 2 1 344.459 1.472 20 0 EDADMP O=C([C@@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001032444445 703621714 /nfs/dbraw/zinc/62/17/14/703621714.db2.gz ZEMIYIVLQQISQB-ULQDDVLXSA-N 2 1 339.455 1.275 20 0 EDADMP O=C([C@@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001032444445 703621715 /nfs/dbraw/zinc/62/17/15/703621715.db2.gz ZEMIYIVLQQISQB-ULQDDVLXSA-N 2 1 339.455 1.275 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCCF ZINC001032444445 703621716 /nfs/dbraw/zinc/62/17/16/703621716.db2.gz ZEMIYIVLQQISQB-ULQDDVLXSA-N 2 1 339.455 1.275 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCCF ZINC001032444445 703621717 /nfs/dbraw/zinc/62/17/17/703621717.db2.gz ZEMIYIVLQQISQB-ULQDDVLXSA-N 2 1 339.455 1.275 20 0 EDADMP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997420285 703670213 /nfs/dbraw/zinc/67/02/13/703670213.db2.gz FWWKBDHLUIDADU-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCO)C2 ZINC001040430325 703708240 /nfs/dbraw/zinc/70/82/40/703708240.db2.gz APLWGKPFYGDOSC-PKOBYXMFSA-N 2 1 337.508 1.556 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCO)C2 ZINC001040430325 703708241 /nfs/dbraw/zinc/70/82/41/703708241.db2.gz APLWGKPFYGDOSC-PKOBYXMFSA-N 2 1 337.508 1.556 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040430325 703708243 /nfs/dbraw/zinc/70/82/43/703708243.db2.gz APLWGKPFYGDOSC-PKOBYXMFSA-N 2 1 337.508 1.556 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H](C)C2CC[NH+](CCO)CC2)C1 ZINC000997614936 703912608 /nfs/dbraw/zinc/91/26/08/703912608.db2.gz WKLWLFRWCYJDDX-RDJZCZTQSA-N 2 1 325.497 1.173 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]Cc3ccsc3)CC2)C1 ZINC000997646656 703959700 /nfs/dbraw/zinc/95/97/00/703959700.db2.gz XDVYVIVSUZTMTO-INIZCTEOSA-N 2 1 337.489 1.407 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]Cc3ccsc3)CC2)C1 ZINC000997646656 703959703 /nfs/dbraw/zinc/95/97/03/703959703.db2.gz XDVYVIVSUZTMTO-INIZCTEOSA-N 2 1 337.489 1.407 20 0 EDADMP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)nc(C)[nH+]1 ZINC001061433631 703990172 /nfs/dbraw/zinc/99/01/72/703990172.db2.gz HDVPAWOMZKSODV-BHYGNILZSA-N 2 1 345.491 1.909 20 0 EDADMP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc(C)[nH+]1 ZINC001061433631 703990174 /nfs/dbraw/zinc/99/01/74/703990174.db2.gz HDVPAWOMZKSODV-BHYGNILZSA-N 2 1 345.491 1.909 20 0 EDADMP CC(C)(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529442 704025328 /nfs/dbraw/zinc/02/53/28/704025328.db2.gz IFUCSQLPLRLYLR-FVTKVJNCSA-N 2 1 347.503 1.571 20 0 EDADMP CC(C)(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001032529442 704025333 /nfs/dbraw/zinc/02/53/33/704025333.db2.gz IFUCSQLPLRLYLR-FVTKVJNCSA-N 2 1 347.503 1.571 20 0 EDADMP CC(C)(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032529442 704025339 /nfs/dbraw/zinc/02/53/39/704025339.db2.gz IFUCSQLPLRLYLR-FVTKVJNCSA-N 2 1 347.503 1.571 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3cnnn3C)C2)C1 ZINC000999289022 706783486 /nfs/dbraw/zinc/78/34/86/706783486.db2.gz DNDVTACPKTYGOV-FHERZECASA-N 2 1 348.495 1.016 20 0 EDADMP Cc1csc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001033093883 704171296 /nfs/dbraw/zinc/17/12/96/704171296.db2.gz FGYKNIMFZQBYQX-RBSFLKMASA-N 2 1 336.505 1.824 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccns3)C2)CC[N@@H+]1C ZINC001033099274 704221492 /nfs/dbraw/zinc/22/14/92/704221492.db2.gz ORIOXOPUCHBQFP-VNQPRFMTSA-N 2 1 336.505 1.906 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccns3)C2)CC[N@H+]1C ZINC001033099274 704221494 /nfs/dbraw/zinc/22/14/94/704221494.db2.gz ORIOXOPUCHBQFP-VNQPRFMTSA-N 2 1 336.505 1.906 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccns3)C2)CC[NH+]1C ZINC001033099274 704221495 /nfs/dbraw/zinc/22/14/95/704221495.db2.gz ORIOXOPUCHBQFP-VNQPRFMTSA-N 2 1 336.505 1.906 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccns3)C2)CC[NH+]1C ZINC001033099274 704221497 /nfs/dbraw/zinc/22/14/97/704221497.db2.gz ORIOXOPUCHBQFP-VNQPRFMTSA-N 2 1 336.505 1.906 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)no2)C1 ZINC000999308077 706808704 /nfs/dbraw/zinc/80/87/04/706808704.db2.gz OZMFOFWZSQWPCP-WBVHZDCISA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000999301205 706804013 /nfs/dbraw/zinc/80/40/13/706804013.db2.gz CHFGPVRYQOFGMU-NVXWUHKLSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004459773 704453525 /nfs/dbraw/zinc/45/35/25/704453525.db2.gz WNJVFLNWADGJOX-WBVHZDCISA-N 2 1 337.508 1.555 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccsc3)C(C)(C)C2)C1 ZINC000995594769 704561686 /nfs/dbraw/zinc/56/16/86/704561686.db2.gz CLEJRDVLKWGAOT-GJZGRUSLSA-N 2 1 337.489 1.405 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccsc3)C(C)(C)C2)C1 ZINC000995594769 704561688 /nfs/dbraw/zinc/56/16/88/704561688.db2.gz CLEJRDVLKWGAOT-GJZGRUSLSA-N 2 1 337.489 1.405 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)C(C)(C)C2)C1 ZINC000995608337 704571773 /nfs/dbraw/zinc/57/17/73/704571773.db2.gz UZRRBRBYVAVPAU-DLBZAZTESA-N 2 1 331.460 1.344 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)C(C)(C)C2)C1 ZINC000995608337 704571774 /nfs/dbraw/zinc/57/17/74/704571774.db2.gz UZRRBRBYVAVPAU-DLBZAZTESA-N 2 1 331.460 1.344 20 0 EDADMP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001032557307 704736026 /nfs/dbraw/zinc/73/60/26/704736026.db2.gz GCQHFGXGBUXVEU-OKZBNKHCSA-N 2 1 349.519 1.961 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000997832045 704750265 /nfs/dbraw/zinc/75/02/65/704750265.db2.gz XUCNBHWNCTWXPB-KRWDZBQOSA-N 2 1 349.479 1.300 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)co1 ZINC000997830996 704751275 /nfs/dbraw/zinc/75/12/75/704751275.db2.gz NWEUAZAUWNJLGG-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)n1 ZINC000997889405 704791249 /nfs/dbraw/zinc/79/12/49/704791249.db2.gz UIPOSOPJEZXALO-UHFFFAOYSA-N 2 1 347.463 1.335 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000997914485 704972727 /nfs/dbraw/zinc/97/27/27/704972727.db2.gz IVXAHUNUWCLLQC-UHFFFAOYSA-N 2 1 334.449 1.071 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000998076584 705296581 /nfs/dbraw/zinc/29/65/81/705296581.db2.gz AHRJZBRMZXQNEO-IUODEOHRSA-N 2 1 337.493 1.064 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000998076584 705296583 /nfs/dbraw/zinc/29/65/83/705296583.db2.gz AHRJZBRMZXQNEO-IUODEOHRSA-N 2 1 337.493 1.064 20 0 EDADMP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000998081607 705302243 /nfs/dbraw/zinc/30/22/43/705302243.db2.gz KNMLSUPBMAPFAW-CQSZACIVSA-N 2 1 348.491 1.961 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3ccccn3)CC2)C1 ZINC000998081285 705302491 /nfs/dbraw/zinc/30/24/91/705302491.db2.gz IGHSONUXZUXPIA-INIZCTEOSA-N 2 1 330.476 1.752 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)co1 ZINC000998081675 705302777 /nfs/dbraw/zinc/30/27/77/705302777.db2.gz LTZLNYOSYLDIRG-AWEZNQCLSA-N 2 1 334.464 1.796 20 0 EDADMP CCn1cc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)nn1 ZINC000998082491 705309131 /nfs/dbraw/zinc/30/91/31/705309131.db2.gz PWKZOVLEKPSAMJ-HNNXBMFYSA-N 2 1 348.495 1.111 20 0 EDADMP CCn1ccnc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000998082651 705310172 /nfs/dbraw/zinc/31/01/72/705310172.db2.gz RVOGCTLMBDLEEG-INIZCTEOSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2ncccn2)CC1 ZINC000998186526 705489820 /nfs/dbraw/zinc/48/98/20/705489820.db2.gz AETLVFMFIQXCDK-IAGOWNOFSA-N 2 1 345.491 1.631 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](Cc2ncccn2)CC1 ZINC000998186526 705489823 /nfs/dbraw/zinc/48/98/23/705489823.db2.gz AETLVFMFIQXCDK-IAGOWNOFSA-N 2 1 345.491 1.631 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](Cc2ncccn2)CC1 ZINC000998186526 705489826 /nfs/dbraw/zinc/48/98/26/705489826.db2.gz AETLVFMFIQXCDK-IAGOWNOFSA-N 2 1 345.491 1.631 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](Cc2ncccn2)CC1 ZINC000998186526 705489829 /nfs/dbraw/zinc/48/98/29/705489829.db2.gz AETLVFMFIQXCDK-IAGOWNOFSA-N 2 1 345.491 1.631 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000998190449 705496194 /nfs/dbraw/zinc/49/61/94/705496194.db2.gz PYTPTIVLGOCAHK-MSOLQXFVSA-N 2 1 347.507 1.538 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000998190449 705496197 /nfs/dbraw/zinc/49/61/97/705496197.db2.gz PYTPTIVLGOCAHK-MSOLQXFVSA-N 2 1 347.507 1.538 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000998190449 705496205 /nfs/dbraw/zinc/49/62/05/705496205.db2.gz PYTPTIVLGOCAHK-MSOLQXFVSA-N 2 1 347.507 1.538 20 0 EDADMP Cc1nc([C@H](C)NCC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000998216253 705538055 /nfs/dbraw/zinc/53/80/55/705538055.db2.gz FOMCZQFBKQVUNX-XJKSGUPXSA-N 2 1 349.479 1.609 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000998216253 705538058 /nfs/dbraw/zinc/53/80/58/705538058.db2.gz FOMCZQFBKQVUNX-XJKSGUPXSA-N 2 1 349.479 1.609 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000998216253 705538062 /nfs/dbraw/zinc/53/80/62/705538062.db2.gz FOMCZQFBKQVUNX-XJKSGUPXSA-N 2 1 349.479 1.609 20 0 EDADMP COc1cccc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998271721 705651398 /nfs/dbraw/zinc/65/13/98/705651398.db2.gz HZGRRBFJWNWLSR-INIZCTEOSA-N 2 1 346.475 1.370 20 0 EDADMP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998274837 705658049 /nfs/dbraw/zinc/65/80/49/705658049.db2.gz WERFEDRDXUBPNW-MRXNPFEDSA-N 2 1 333.480 1.008 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000998286136 705681227 /nfs/dbraw/zinc/68/12/27/705681227.db2.gz GGQFEHOIMAKYOD-SFHVURJKSA-N 2 1 347.507 1.623 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC[C@H]2CCOC2)C1 ZINC001032628687 705745890 /nfs/dbraw/zinc/74/58/90/705745890.db2.gz BNXVRSKPPCDFCJ-BZSNNMDCSA-N 2 1 349.519 1.820 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC[C@H]2CCOC2)C1 ZINC001032628687 705745893 /nfs/dbraw/zinc/74/58/93/705745893.db2.gz BNXVRSKPPCDFCJ-BZSNNMDCSA-N 2 1 349.519 1.820 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC[C@H]2CCOC2)C1 ZINC001032628687 705745897 /nfs/dbraw/zinc/74/58/97/705745897.db2.gz BNXVRSKPPCDFCJ-BZSNNMDCSA-N 2 1 349.519 1.820 20 0 EDADMP COc1ccc(CC[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000998536448 705970228 /nfs/dbraw/zinc/97/02/28/705970228.db2.gz UXTVIVRWQILDEK-FAFZWHIHSA-N 2 1 345.487 1.911 20 0 EDADMP COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998584792 706017290 /nfs/dbraw/zinc/01/72/90/706017290.db2.gz HGIPRRWBHWNIMP-HTWSVDAQSA-N 2 1 347.459 1.105 20 0 EDADMP COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998584792 706017294 /nfs/dbraw/zinc/01/72/94/706017294.db2.gz HGIPRRWBHWNIMP-HTWSVDAQSA-N 2 1 347.459 1.105 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC000998724538 706156455 /nfs/dbraw/zinc/15/64/55/706156455.db2.gz UNKTWHXDBSBZCR-CVEARBPZSA-N 2 1 332.448 1.265 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nc(C3CCC3)no2)C1 ZINC000998730176 706162502 /nfs/dbraw/zinc/16/25/02/706162502.db2.gz JEUIARZIPFZYDK-CABCVRRESA-N 2 1 347.463 1.512 20 0 EDADMP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000998762353 706199986 /nfs/dbraw/zinc/19/99/86/706199986.db2.gz BKEODXXGJIVRBR-DAWZGUTISA-N 2 1 347.507 1.855 20 0 EDADMP Cc1cccc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998813123 706256165 /nfs/dbraw/zinc/25/61/65/706256165.db2.gz USYSFQGCAHUALR-IEBWSBKVSA-N 2 1 345.487 1.715 20 0 EDADMP Cc1cccc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998813123 706256167 /nfs/dbraw/zinc/25/61/67/706256167.db2.gz USYSFQGCAHUALR-IEBWSBKVSA-N 2 1 345.487 1.715 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]Cc2cnnn2C)C1 ZINC000998902407 706339137 /nfs/dbraw/zinc/33/91/37/706339137.db2.gz VAXFDUUHBCSLSV-HWOWSKLDSA-N 2 1 348.495 1.157 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nn1C ZINC000999145955 706559790 /nfs/dbraw/zinc/55/97/90/706559790.db2.gz TZOINRJFVXTOQL-FUHWJXTLSA-N 2 1 347.507 1.682 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000999373646 706868491 /nfs/dbraw/zinc/86/84/91/706868491.db2.gz QVYSBIDLMRUHEU-SJORKVTESA-N 2 1 339.443 1.936 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999377554 706871688 /nfs/dbraw/zinc/87/16/88/706871688.db2.gz WISJGYISUQWKQW-RDJZCZTQSA-N 2 1 348.495 1.280 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000999366081 706880002 /nfs/dbraw/zinc/88/00/02/706880002.db2.gz UVMBOKAAXIFINN-HNNXBMFYSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC000999366081 706880003 /nfs/dbraw/zinc/88/00/03/706880003.db2.gz UVMBOKAAXIFINN-HNNXBMFYSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999367178 706880936 /nfs/dbraw/zinc/88/09/36/706880936.db2.gz DUTIZZFUZAWVHG-DOTOQJQBSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999398077 706892544 /nfs/dbraw/zinc/89/25/44/706892544.db2.gz BTRWDSRIMCLXLB-IRXDYDNUSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000999402974 706911498 /nfs/dbraw/zinc/91/14/98/706911498.db2.gz LSPAQUJUKREDGU-LRVUVFPRSA-N 2 1 347.463 1.510 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000999402974 706911499 /nfs/dbraw/zinc/91/14/99/706911499.db2.gz LSPAQUJUKREDGU-LRVUVFPRSA-N 2 1 347.463 1.510 20 0 EDADMP Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)cn1 ZINC000999403187 706911840 /nfs/dbraw/zinc/91/18/40/706911840.db2.gz VAZXNFPULFPGPG-IAGOWNOFSA-N 2 1 333.480 1.375 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999404128 706912969 /nfs/dbraw/zinc/91/29/69/706912969.db2.gz ZESLZABSMWXHOI-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]CCc3ccns3)C2)C1 ZINC000999408393 706918144 /nfs/dbraw/zinc/91/81/44/706918144.db2.gz KALXZQNTJHNDDB-NFOMZHRRSA-N 2 1 336.505 1.606 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC000999508314 707005949 /nfs/dbraw/zinc/00/59/49/707005949.db2.gz IIMYQKSZIZOXTM-UWTIGNOOSA-N 2 1 349.479 1.750 20 0 EDADMP CCn1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999690074 707246416 /nfs/dbraw/zinc/24/64/16/707246416.db2.gz VEQNAJWSVJFKBH-FHERZECASA-N 2 1 348.495 1.027 20 0 EDADMP CO[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1)C1CCCC1 ZINC001033266984 707295183 /nfs/dbraw/zinc/29/51/83/707295183.db2.gz SGZDOWXOGSKMPI-MSOLQXFVSA-N 2 1 348.491 1.929 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1)C1CCCC1 ZINC001033266984 707295186 /nfs/dbraw/zinc/29/51/86/707295186.db2.gz SGZDOWXOGSKMPI-MSOLQXFVSA-N 2 1 348.491 1.929 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001033182870 707358511 /nfs/dbraw/zinc/35/85/11/707358511.db2.gz SUCAPSDKRIBAAG-MSOLQXFVSA-N 2 1 349.519 1.964 20 0 EDADMP C[C@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CCCCN1C(=O)CCc1ncc[nH]1 ZINC001004848485 707446875 /nfs/dbraw/zinc/44/68/75/707446875.db2.gz PJYWIHUGIMTIPV-ZFWWWQNUSA-N 2 1 345.451 1.030 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000999834958 707468634 /nfs/dbraw/zinc/46/86/34/707468634.db2.gz ATFKSVZWJREJEC-UHFFFAOYSA-N 2 1 345.447 1.830 20 0 EDADMP C[C@@H](NCc1ncccn1)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004882053 707530079 /nfs/dbraw/zinc/53/00/79/707530079.db2.gz ZHHLXAHEPSAIIY-WBVHZDCISA-N 2 1 345.491 1.820 20 0 EDADMP C[C@@H]([NH2+]Cc1ncccn1)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004882053 707530083 /nfs/dbraw/zinc/53/00/83/707530083.db2.gz ZHHLXAHEPSAIIY-WBVHZDCISA-N 2 1 345.491 1.820 20 0 EDADMP C[C@H](NCc1ncnn1C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004875742 707541816 /nfs/dbraw/zinc/54/18/16/707541816.db2.gz HAPWTFZJASHLLQ-GOEBONIOSA-N 2 1 348.495 1.159 20 0 EDADMP C[C@H]([NH2+]Cc1ncnn1C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004875742 707541823 /nfs/dbraw/zinc/54/18/23/707541823.db2.gz HAPWTFZJASHLLQ-GOEBONIOSA-N 2 1 348.495 1.159 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC000999971563 707581992 /nfs/dbraw/zinc/58/19/92/707581992.db2.gz BVZSWXOQRTVFRO-ROUUACIJSA-N 2 1 347.507 1.586 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cnn(C)c3)C2)C1 ZINC001033355272 707669280 /nfs/dbraw/zinc/66/92/80/707669280.db2.gz WUESPUZHQOOFBN-MSOLQXFVSA-N 2 1 347.507 1.575 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cnn(C)c3)C2)C1 ZINC001033355272 707669285 /nfs/dbraw/zinc/66/92/85/707669285.db2.gz WUESPUZHQOOFBN-MSOLQXFVSA-N 2 1 347.507 1.575 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cnn(C)c3)C2)C1 ZINC001033355272 707669288 /nfs/dbraw/zinc/66/92/88/707669288.db2.gz WUESPUZHQOOFBN-MSOLQXFVSA-N 2 1 347.507 1.575 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)C1 ZINC001033355272 707669294 /nfs/dbraw/zinc/66/92/94/707669294.db2.gz WUESPUZHQOOFBN-MSOLQXFVSA-N 2 1 347.507 1.575 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccccc2F)C1 ZINC001032731233 707732412 /nfs/dbraw/zinc/73/24/12/707732412.db2.gz FWWIATFJLBVTFE-SZMVWBNQSA-N 2 1 345.462 1.995 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccccc2F)C1 ZINC001032731233 707732418 /nfs/dbraw/zinc/73/24/18/707732418.db2.gz FWWIATFJLBVTFE-SZMVWBNQSA-N 2 1 345.462 1.995 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccccc2F)C1 ZINC001032731233 707732423 /nfs/dbraw/zinc/73/24/23/707732423.db2.gz FWWIATFJLBVTFE-SZMVWBNQSA-N 2 1 345.462 1.995 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccccc2F)C1 ZINC001032731233 707732429 /nfs/dbraw/zinc/73/24/29/707732429.db2.gz FWWIATFJLBVTFE-SZMVWBNQSA-N 2 1 345.462 1.995 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)n1 ZINC001033419341 707778064 /nfs/dbraw/zinc/77/80/64/707778064.db2.gz IMBLTKBPTUSYMV-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)n1 ZINC001033419341 707778066 /nfs/dbraw/zinc/77/80/66/707778066.db2.gz IMBLTKBPTUSYMV-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001033419341 707778069 /nfs/dbraw/zinc/77/80/69/707778069.db2.gz IMBLTKBPTUSYMV-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001033419341 707778071 /nfs/dbraw/zinc/77/80/71/707778071.db2.gz IMBLTKBPTUSYMV-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cncn1C ZINC001004993123 707875746 /nfs/dbraw/zinc/87/57/46/707875746.db2.gz PTPPZZLGBKZURE-YOEHRIQHSA-N 2 1 344.463 1.484 20 0 EDADMP C[C@@H]([NH2+]Cc1nncs1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004995027 707882342 /nfs/dbraw/zinc/88/23/42/707882342.db2.gz XHQAXPPSAMFHTR-KGLIPLIRSA-N 2 1 337.493 1.493 20 0 EDADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CCn2cccn2)C1)[NH+]1CCCCCC1 ZINC001033466614 707924093 /nfs/dbraw/zinc/92/40/93/707924093.db2.gz GWLKRKHCCDUHHV-MSOLQXFVSA-N 2 1 347.507 1.680 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476353 707937441 /nfs/dbraw/zinc/93/74/41/707937441.db2.gz WRGHXRGSYLEIFL-KRWDZBQOSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476353 707937443 /nfs/dbraw/zinc/93/74/43/707937443.db2.gz WRGHXRGSYLEIFL-KRWDZBQOSA-N 2 1 334.464 1.748 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C/C=C/c2ccccc2)C1 ZINC001032781749 707970523 /nfs/dbraw/zinc/97/05/23/707970523.db2.gz HPDMNFJRQWHBAK-RHICSNSISA-N 2 1 325.456 1.937 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C/C=C/c2ccccc2)C1 ZINC001032781749 707970527 /nfs/dbraw/zinc/97/05/27/707970527.db2.gz HPDMNFJRQWHBAK-RHICSNSISA-N 2 1 325.456 1.937 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C/c2ccccc2)C1 ZINC001032781749 707970529 /nfs/dbraw/zinc/97/05/29/707970529.db2.gz HPDMNFJRQWHBAK-RHICSNSISA-N 2 1 325.456 1.937 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C/c2ccccc2)C1 ZINC001032781749 707970532 /nfs/dbraw/zinc/97/05/32/707970532.db2.gz HPDMNFJRQWHBAK-RHICSNSISA-N 2 1 325.456 1.937 20 0 EDADMP COc1ccc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)cc1 ZINC001032782995 707973239 /nfs/dbraw/zinc/97/32/39/707973239.db2.gz QTZBVCATYAJERF-ROUUACIJSA-N 2 1 343.471 1.619 20 0 EDADMP COC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001143493 708106660 /nfs/dbraw/zinc/10/66/60/708106660.db2.gz IMQDAVJIKAIAFS-RHSMWYFYSA-N 2 1 346.475 1.537 20 0 EDADMP COC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001143493 708106661 /nfs/dbraw/zinc/10/66/61/708106661.db2.gz IMQDAVJIKAIAFS-RHSMWYFYSA-N 2 1 346.475 1.537 20 0 EDADMP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)s1 ZINC001005180650 708124136 /nfs/dbraw/zinc/12/41/36/708124136.db2.gz UOUOWMXRXGZPJS-INIZCTEOSA-N 2 1 336.505 1.969 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCc3ccnn3C)C2)CC1 ZINC001033532940 708156259 /nfs/dbraw/zinc/15/62/59/708156259.db2.gz VWNDDRARNNFHCC-GOSISDBHSA-N 2 1 347.507 1.227 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC[NH+](CCOC)CC2)C1 ZINC001001737136 708251595 /nfs/dbraw/zinc/25/15/95/708251595.db2.gz CTEUVIVOKPFMHJ-QGZVFWFLSA-N 2 1 325.497 1.583 20 0 EDADMP COC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001771928 708294656 /nfs/dbraw/zinc/29/46/56/708294656.db2.gz HROFACXGMXBHGT-WMLDXEAASA-N 2 1 348.491 1.617 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CCN(Cc2cnns2)CC1 ZINC001001826574 708329127 /nfs/dbraw/zinc/32/91/27/708329127.db2.gz WRVSDHDNSJIXAG-IUODEOHRSA-N 2 1 337.493 1.064 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001001832313 708358114 /nfs/dbraw/zinc/35/81/14/708358114.db2.gz DMLPQLPHRUEXGN-KDOFPFPSSA-N 2 1 348.466 1.747 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001001832313 708358118 /nfs/dbraw/zinc/35/81/18/708358118.db2.gz DMLPQLPHRUEXGN-KDOFPFPSSA-N 2 1 348.466 1.747 20 0 EDADMP Cc1cccc(OCC[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033663468 708443465 /nfs/dbraw/zinc/44/34/65/708443465.db2.gz VXFVRCYVIYRYQJ-QZTJIDSGSA-N 2 1 345.487 1.858 20 0 EDADMP Cc1cccc(OCC[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001033663468 708443466 /nfs/dbraw/zinc/44/34/66/708443466.db2.gz VXFVRCYVIYRYQJ-QZTJIDSGSA-N 2 1 345.487 1.858 20 0 EDADMP Cc1cccc(OCC[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033663468 708443467 /nfs/dbraw/zinc/44/34/67/708443467.db2.gz VXFVRCYVIYRYQJ-QZTJIDSGSA-N 2 1 345.487 1.858 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033663933 708444882 /nfs/dbraw/zinc/44/48/82/708444882.db2.gz AMNNOXOQVIAGQP-ROUUACIJSA-N 2 1 348.491 1.665 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033663933 708444884 /nfs/dbraw/zinc/44/48/84/708444884.db2.gz AMNNOXOQVIAGQP-ROUUACIJSA-N 2 1 348.491 1.665 20 0 EDADMP CO[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1)C1CCC1 ZINC001033667624 708455003 /nfs/dbraw/zinc/45/50/03/708455003.db2.gz ILRMRBWQRUSVPT-SJORKVTESA-N 2 1 334.464 1.539 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1)C1CCC1 ZINC001033667624 708455006 /nfs/dbraw/zinc/45/50/06/708455006.db2.gz ILRMRBWQRUSVPT-SJORKVTESA-N 2 1 334.464 1.539 20 0 EDADMP COc1ccc(CC[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001033661917 708476016 /nfs/dbraw/zinc/47/60/16/708476016.db2.gz NLACLIRKNORVGJ-MSOLQXFVSA-N 2 1 345.487 1.722 20 0 EDADMP COc1ccc(CC[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033661917 708476019 /nfs/dbraw/zinc/47/60/19/708476019.db2.gz NLACLIRKNORVGJ-MSOLQXFVSA-N 2 1 345.487 1.722 20 0 EDADMP COc1ccc(CC[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033661917 708476022 /nfs/dbraw/zinc/47/60/22/708476022.db2.gz NLACLIRKNORVGJ-MSOLQXFVSA-N 2 1 345.487 1.722 20 0 EDADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033682727 708494173 /nfs/dbraw/zinc/49/41/73/708494173.db2.gz COJQXOGRWSHBRJ-DLBZAZTESA-N 2 1 346.475 1.158 20 0 EDADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033682727 708494175 /nfs/dbraw/zinc/49/41/75/708494175.db2.gz COJQXOGRWSHBRJ-DLBZAZTESA-N 2 1 346.475 1.158 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CCCO)C2)o1 ZINC001033696951 708510680 /nfs/dbraw/zinc/51/06/80/708510680.db2.gz ADXJUXWGZRNUPM-HNNXBMFYSA-N 2 1 337.464 1.650 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C[C@H](C)O)C2)o1 ZINC001033698981 708546685 /nfs/dbraw/zinc/54/66/85/708546685.db2.gz HLZSOTWFNIXSRG-GJZGRUSLSA-N 2 1 337.464 1.649 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](CCO)CC1 ZINC001002037995 708559246 /nfs/dbraw/zinc/55/92/46/708559246.db2.gz SPDMRGIWOZKIHA-QGZVFWFLSA-N 2 1 325.497 1.462 20 0 EDADMP CC[C@@H](C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001002139113 708676238 /nfs/dbraw/zinc/67/62/38/708676238.db2.gz RQZFXBJPVKDQQJ-WBVHZDCISA-N 2 1 325.497 1.581 20 0 EDADMP CC[C@@H](C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002139113 708676240 /nfs/dbraw/zinc/67/62/40/708676240.db2.gz RQZFXBJPVKDQQJ-WBVHZDCISA-N 2 1 325.497 1.581 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCn3cccn3)C2)CC[N@H+]1C ZINC001033833990 708860600 /nfs/dbraw/zinc/86/06/00/708860600.db2.gz BGRFLIMGEQRGNQ-FGTMMUONSA-N 2 1 347.507 1.536 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](CCn3cccn3)C2)CC[NH+]1C ZINC001033833990 708860602 /nfs/dbraw/zinc/86/06/02/708860602.db2.gz BGRFLIMGEQRGNQ-FGTMMUONSA-N 2 1 347.507 1.536 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CCn3cccn3)C2)CC[NH+]1C ZINC001033833990 708860606 /nfs/dbraw/zinc/86/06/06/708860606.db2.gz BGRFLIMGEQRGNQ-FGTMMUONSA-N 2 1 347.507 1.536 20 0 EDADMP CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033837684 708866855 /nfs/dbraw/zinc/86/68/55/708866855.db2.gz NSEBVAOPPYGDJD-HNNXBMFYSA-N 2 1 339.459 1.341 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2cncn2C)C1 ZINC001033837937 708867820 /nfs/dbraw/zinc/86/78/20/708867820.db2.gz LIRCCYJVOIRKRG-BFYDXBDKSA-N 2 1 333.480 1.183 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033837937 708867822 /nfs/dbraw/zinc/86/78/22/708867822.db2.gz LIRCCYJVOIRKRG-BFYDXBDKSA-N 2 1 333.480 1.183 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033837937 708867825 /nfs/dbraw/zinc/86/78/25/708867825.db2.gz LIRCCYJVOIRKRG-BFYDXBDKSA-N 2 1 333.480 1.183 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033837937 708867828 /nfs/dbraw/zinc/86/78/28/708867828.db2.gz LIRCCYJVOIRKRG-BFYDXBDKSA-N 2 1 333.480 1.183 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033837937 708867830 /nfs/dbraw/zinc/86/78/30/708867830.db2.gz LIRCCYJVOIRKRG-BFYDXBDKSA-N 2 1 333.480 1.183 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCOc2ccccc2)CC1 ZINC001002459762 708983418 /nfs/dbraw/zinc/98/34/18/708983418.db2.gz JQJLPFZFTXUYHA-GOSISDBHSA-N 2 1 331.460 1.740 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC001002479148 709028616 /nfs/dbraw/zinc/02/86/16/709028616.db2.gz GBTKTOJEESGDPC-MOPGFXCFSA-N 2 1 345.487 1.265 20 0 EDADMP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033907990 709040749 /nfs/dbraw/zinc/04/07/49/709040749.db2.gz WSHUOANWTKILQR-ISXWCOSWSA-N 2 1 335.492 1.573 20 0 EDADMP CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033907990 709040750 /nfs/dbraw/zinc/04/07/50/709040750.db2.gz WSHUOANWTKILQR-ISXWCOSWSA-N 2 1 335.492 1.573 20 0 EDADMP CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033907990 709040752 /nfs/dbraw/zinc/04/07/52/709040752.db2.gz WSHUOANWTKILQR-ISXWCOSWSA-N 2 1 335.492 1.573 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC001005474966 709111202 /nfs/dbraw/zinc/11/12/02/709111202.db2.gz FNVCHDIDPAYPOZ-GOSISDBHSA-N 2 1 347.507 1.717 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC001005474966 709111204 /nfs/dbraw/zinc/11/12/04/709111204.db2.gz FNVCHDIDPAYPOZ-GOSISDBHSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001033953410 709134650 /nfs/dbraw/zinc/13/46/50/709134650.db2.gz MMUKLWXADVKVAI-APWZRJJASA-N 2 1 347.503 1.708 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC001033939566 709144984 /nfs/dbraw/zinc/14/49/84/709144984.db2.gz BJQJRMSFNPXGRK-RDJZCZTQSA-N 2 1 345.491 1.802 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC001033939566 709144988 /nfs/dbraw/zinc/14/49/88/709144988.db2.gz BJQJRMSFNPXGRK-RDJZCZTQSA-N 2 1 345.491 1.802 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001033939870 709145496 /nfs/dbraw/zinc/14/54/96/709145496.db2.gz DBMKKFVLJIKEPG-HNNXBMFYSA-N 2 1 336.505 1.908 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001033939870 709145498 /nfs/dbraw/zinc/14/54/98/709145498.db2.gz DBMKKFVLJIKEPG-HNNXBMFYSA-N 2 1 336.505 1.908 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001034044045 709295841 /nfs/dbraw/zinc/29/58/41/709295841.db2.gz ZPCLOVGODFFMRK-QZTJIDSGSA-N 2 1 330.476 1.765 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001002790871 709398692 /nfs/dbraw/zinc/39/86/92/709398692.db2.gz BDMXKADSSZULNK-SJLPKXTDSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1cc(CN2CCC(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)on1 ZINC001002802292 709416905 /nfs/dbraw/zinc/41/69/05/709416905.db2.gz NEYRJJNLFCPMKF-RDJZCZTQSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)on1 ZINC001002802292 709416909 /nfs/dbraw/zinc/41/69/09/709416909.db2.gz NEYRJJNLFCPMKF-RDJZCZTQSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)on1 ZINC001002802292 709416912 /nfs/dbraw/zinc/41/69/12/709416912.db2.gz NEYRJJNLFCPMKF-RDJZCZTQSA-N 2 1 346.475 1.938 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001034149323 709420853 /nfs/dbraw/zinc/42/08/53/709420853.db2.gz VQXOOJIFCRKOHG-ZWKOTPCHSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001034149323 709420856 /nfs/dbraw/zinc/42/08/56/709420856.db2.gz VQXOOJIFCRKOHG-ZWKOTPCHSA-N 2 1 349.519 1.868 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC3CC4(CCC4)C3)C2)C1 ZINC001034149323 709420858 /nfs/dbraw/zinc/42/08/58/709420858.db2.gz VQXOOJIFCRKOHG-ZWKOTPCHSA-N 2 1 349.519 1.868 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CC4(CCC4)C3)C2)C1 ZINC001034149323 709420861 /nfs/dbraw/zinc/42/08/61/709420861.db2.gz VQXOOJIFCRKOHG-ZWKOTPCHSA-N 2 1 349.519 1.868 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCO[C@H]3CC3(F)F)CC2)CC[N@H+]1C ZINC001002860623 709463957 /nfs/dbraw/zinc/46/39/57/709463957.db2.gz MPKABCRUZKAPOW-YUELXQCFSA-N 2 1 345.434 1.331 20 0 EDADMP COC(=O)COc1ccccc1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000922064297 709539462 /nfs/dbraw/zinc/53/94/62/709539462.db2.gz TYQGDXNXBGKUNM-CQSZACIVSA-N 2 1 329.400 1.787 20 0 EDADMP Cn1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001034209001 709558498 /nfs/dbraw/zinc/55/84/98/709558498.db2.gz WELXNPYIUQOPRY-ROUUACIJSA-N 2 1 345.491 1.233 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](CCF)C1)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001034240550 709624835 /nfs/dbraw/zinc/62/48/35/709624835.db2.gz IYLAAOXWKYEINB-DOTOQJQBSA-N 2 1 341.471 1.570 20 0 EDADMP O=C(N[C@H]1CCCC[N@H+](CCF)C1)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001034240550 709624838 /nfs/dbraw/zinc/62/48/38/709624838.db2.gz IYLAAOXWKYEINB-DOTOQJQBSA-N 2 1 341.471 1.570 20 0 EDADMP O=C(N[C@H]1CCCC[NH+](CCF)C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001034240550 709624840 /nfs/dbraw/zinc/62/48/40/709624840.db2.gz IYLAAOXWKYEINB-DOTOQJQBSA-N 2 1 341.471 1.570 20 0 EDADMP O=C(N[C@H]1CCCC[NH+](CCF)C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001034240550 709624844 /nfs/dbraw/zinc/62/48/44/709624844.db2.gz IYLAAOXWKYEINB-DOTOQJQBSA-N 2 1 341.471 1.570 20 0 EDADMP Cn1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001034291093 709716589 /nfs/dbraw/zinc/71/65/89/709716589.db2.gz PDRACLOBTKYNCN-QGZVFWFLSA-N 2 1 345.491 1.519 20 0 EDADMP Cn1cc(C[N@H+]2CCCC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001034291093 709716591 /nfs/dbraw/zinc/71/65/91/709716591.db2.gz PDRACLOBTKYNCN-QGZVFWFLSA-N 2 1 345.491 1.519 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](Cc2cnnn2C)CC1 ZINC001003011817 709783892 /nfs/dbraw/zinc/78/38/92/709783892.db2.gz SJKBRMOZEOFZHB-MRXNPFEDSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](Cc2cnnn2C)CC1 ZINC001003011817 709783896 /nfs/dbraw/zinc/78/38/96/709783896.db2.gz SJKBRMOZEOFZHB-MRXNPFEDSA-N 2 1 348.495 1.159 20 0 EDADMP Cn1nc2c(c1C[NH2+]Cc1ccncc1OCCC[NH+](C)C)CCC2 ZINC000922135870 709841281 /nfs/dbraw/zinc/84/12/81/709841281.db2.gz RQVVNEDZBGELHA-UHFFFAOYSA-N 2 1 343.475 1.924 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034384965 709912627 /nfs/dbraw/zinc/91/26/27/709912627.db2.gz HVSDHHMPEKOPJM-GOSISDBHSA-N 2 1 347.507 1.541 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCCN(Cc3ccn(C)n3)C2)C1 ZINC001034396714 709935825 /nfs/dbraw/zinc/93/58/25/709935825.db2.gz GLDUJZUQZLRPNY-HOTGVXAUSA-N 2 1 333.480 1.233 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCCC[N@@H+](CC3CC3)C2)cn1 ZINC001034435239 710007967 /nfs/dbraw/zinc/00/79/67/710007967.db2.gz HYVKMPVJLORVFX-QGZVFWFLSA-N 2 1 333.480 1.439 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034490824 710110261 /nfs/dbraw/zinc/11/02/61/710110261.db2.gz NZGXAKXOBMRFFV-JKSUJKDBSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490824 710110263 /nfs/dbraw/zinc/11/02/63/710110263.db2.gz NZGXAKXOBMRFFV-JKSUJKDBSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490824 710110266 /nfs/dbraw/zinc/11/02/66/710110266.db2.gz NZGXAKXOBMRFFV-JKSUJKDBSA-N 2 1 334.464 1.796 20 0 EDADMP Cn1nccc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034491435 710111486 /nfs/dbraw/zinc/11/14/86/710111486.db2.gz UWTGZJJWNGJPJB-CVEARBPZSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1nccc1C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034491435 710111490 /nfs/dbraw/zinc/11/14/90/710111490.db2.gz UWTGZJJWNGJPJB-CVEARBPZSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1nccc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034491435 710111492 /nfs/dbraw/zinc/11/14/92/710111492.db2.gz UWTGZJJWNGJPJB-CVEARBPZSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1nccc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034491435 710111494 /nfs/dbraw/zinc/11/14/94/710111494.db2.gz UWTGZJJWNGJPJB-CVEARBPZSA-N 2 1 333.480 1.233 20 0 EDADMP CO[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034491618 710112363 /nfs/dbraw/zinc/11/23/63/710112363.db2.gz VHFXMRMVVAVHTO-HUUCEWRRSA-N 2 1 334.464 1.767 20 0 EDADMP CO[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034491618 710112365 /nfs/dbraw/zinc/11/23/65/710112365.db2.gz VHFXMRMVVAVHTO-HUUCEWRRSA-N 2 1 334.464 1.767 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003229295 710150212 /nfs/dbraw/zinc/15/02/12/710150212.db2.gz FJGCKBNUMQWFGK-NVXWUHKLSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001034524944 710174427 /nfs/dbraw/zinc/17/44/27/710174427.db2.gz JDZQSCYEHVBGRY-JKSUJKDBSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001034524944 710174428 /nfs/dbraw/zinc/17/44/28/710174428.db2.gz JDZQSCYEHVBGRY-JKSUJKDBSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)ncn1 ZINC001034524944 710174429 /nfs/dbraw/zinc/17/44/29/710174429.db2.gz JDZQSCYEHVBGRY-JKSUJKDBSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)ncn1 ZINC001034524944 710174430 /nfs/dbraw/zinc/17/44/30/710174430.db2.gz JDZQSCYEHVBGRY-JKSUJKDBSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034525870 710176718 /nfs/dbraw/zinc/17/67/18/710176718.db2.gz QRJGWUAJBLNICM-DLBZAZTESA-N 2 1 330.476 1.812 20 0 EDADMP Cc1cccnc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034525870 710176719 /nfs/dbraw/zinc/17/67/19/710176719.db2.gz QRJGWUAJBLNICM-DLBZAZTESA-N 2 1 330.476 1.812 20 0 EDADMP Cc1cccnc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034525870 710176720 /nfs/dbraw/zinc/17/67/20/710176720.db2.gz QRJGWUAJBLNICM-DLBZAZTESA-N 2 1 330.476 1.812 20 0 EDADMP CO[C@H](C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1)C1CCC1 ZINC001034529916 710186022 /nfs/dbraw/zinc/18/60/22/710186022.db2.gz QYQWRGQEHVOVPD-QZTJIDSGSA-N 2 1 348.491 1.977 20 0 EDADMP CO[C@H](C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1)C1CCC1 ZINC001034529916 710186023 /nfs/dbraw/zinc/18/60/23/710186023.db2.gz QYQWRGQEHVOVPD-QZTJIDSGSA-N 2 1 348.491 1.977 20 0 EDADMP CC[C@@H](C[NH+]1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1)OC ZINC001003319406 710248044 /nfs/dbraw/zinc/24/80/44/710248044.db2.gz ZFLXZUQBNAACPT-INIZCTEOSA-N 2 1 348.491 1.768 20 0 EDADMP COc1cccc([C@H](O)C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032838279 710279268 /nfs/dbraw/zinc/27/92/68/710279268.db2.gz FZJZCPWIKDQYIW-KBAYOESNSA-N 2 1 347.459 1.013 20 0 EDADMP COc1cccc([C@H](O)C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032838279 710279271 /nfs/dbraw/zinc/27/92/71/710279271.db2.gz FZJZCPWIKDQYIW-KBAYOESNSA-N 2 1 347.459 1.013 20 0 EDADMP COc1cccc([C@H](O)C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001032838279 710279273 /nfs/dbraw/zinc/27/92/73/710279273.db2.gz FZJZCPWIKDQYIW-KBAYOESNSA-N 2 1 347.459 1.013 20 0 EDADMP COc1cccc([C@H](O)C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001032838279 710279276 /nfs/dbraw/zinc/27/92/76/710279276.db2.gz FZJZCPWIKDQYIW-KBAYOESNSA-N 2 1 347.459 1.013 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001034611590 710285997 /nfs/dbraw/zinc/28/59/97/710285997.db2.gz LZKPKCKUJKTZJH-JYJNAYRXSA-N 2 1 333.480 1.514 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001034614738 710289925 /nfs/dbraw/zinc/28/99/25/710289925.db2.gz VOHPYUSGJGHJOY-KZNAEPCWSA-N 2 1 346.475 1.238 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001034614738 710289926 /nfs/dbraw/zinc/28/99/26/710289926.db2.gz VOHPYUSGJGHJOY-KZNAEPCWSA-N 2 1 346.475 1.238 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCn3cncn3)CC2)CC[N@H+]1C ZINC001034649869 710326304 /nfs/dbraw/zinc/32/63/04/710326304.db2.gz YXYXHLCEWOBIEK-LUKYLMHMSA-N 2 1 348.495 1.025 20 0 EDADMP CCO[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)C[NH+](C)C ZINC000922204479 710421098 /nfs/dbraw/zinc/42/10/98/710421098.db2.gz GLORQNUNGYPKIP-HZPDHXFCSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001003626112 710455237 /nfs/dbraw/zinc/45/52/37/710455237.db2.gz MGOKDYXUPYUUSH-GJZGRUSLSA-N 2 1 331.464 1.460 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001003626112 710455239 /nfs/dbraw/zinc/45/52/39/710455239.db2.gz MGOKDYXUPYUUSH-GJZGRUSLSA-N 2 1 331.464 1.460 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001003627979 710457977 /nfs/dbraw/zinc/45/79/77/710457977.db2.gz LBPGMKOFLVRTBF-DZGCQCFKSA-N 2 1 345.434 1.476 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001003636270 710463294 /nfs/dbraw/zinc/46/32/94/710463294.db2.gz UODGJGXOEIRXGU-GUYCJALGSA-N 2 1 334.439 1.499 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001003636270 710463295 /nfs/dbraw/zinc/46/32/95/710463295.db2.gz UODGJGXOEIRXGU-GUYCJALGSA-N 2 1 334.439 1.499 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000922264511 710549814 /nfs/dbraw/zinc/54/98/14/710549814.db2.gz UHCOMNAMELFFPF-NJAFHUGGSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000922264511 710549815 /nfs/dbraw/zinc/54/98/15/710549815.db2.gz UHCOMNAMELFFPF-NJAFHUGGSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000922264511 710549816 /nfs/dbraw/zinc/54/98/16/710549816.db2.gz UHCOMNAMELFFPF-NJAFHUGGSA-N 2 1 330.476 1.900 20 0 EDADMP Cn1nccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001034673457 710611358 /nfs/dbraw/zinc/61/13/58/710611358.db2.gz ATAHAVGMOGFAQQ-ZOBUZTSGSA-N 2 1 333.480 1.421 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC001034674951 710626291 /nfs/dbraw/zinc/62/62/91/710626291.db2.gz VXFGJUZQNUWMCT-DTZQCDIJSA-N 2 1 348.495 1.675 20 0 EDADMP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005586094 710633307 /nfs/dbraw/zinc/63/33/07/710633307.db2.gz UPCAHUHRULHLJW-ZMSDIMECSA-N 2 1 325.497 1.674 20 0 EDADMP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005586094 710633311 /nfs/dbraw/zinc/63/33/11/710633311.db2.gz UPCAHUHRULHLJW-ZMSDIMECSA-N 2 1 325.497 1.674 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC001034734070 710915823 /nfs/dbraw/zinc/91/58/23/710915823.db2.gz JDBLXNSFSQDAIT-XSLAGTTESA-N 2 1 337.508 1.772 20 0 EDADMP C[C@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1)c1ncccn1 ZINC001034734583 710916883 /nfs/dbraw/zinc/91/68/83/710916883.db2.gz RTQRIZNZRVITLG-QAETUUGQSA-N 2 1 345.491 1.896 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034736968 710947757 /nfs/dbraw/zinc/94/77/57/710947757.db2.gz FSXWUNSCJVZSKY-OSMBCOQSSA-N 2 1 334.464 1.698 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034737003 710948064 /nfs/dbraw/zinc/94/80/64/710948064.db2.gz GMQOTINYWJSGCO-KBAYOESNSA-N 2 1 337.508 1.914 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC001032958460 710951311 /nfs/dbraw/zinc/95/13/11/710951311.db2.gz AJNBGRUJYAEZOM-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC001032958460 710951314 /nfs/dbraw/zinc/95/13/14/710951314.db2.gz AJNBGRUJYAEZOM-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC001032958460 710951318 /nfs/dbraw/zinc/95/13/18/710951318.db2.gz AJNBGRUJYAEZOM-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034738143 710952546 /nfs/dbraw/zinc/95/25/46/710952546.db2.gz QIFWOWXZFQXYSP-QSPRXWTASA-N 2 1 333.480 1.135 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032960412 710969322 /nfs/dbraw/zinc/96/93/22/710969322.db2.gz SDACGBAWZLIYIM-FUHWJXTLSA-N 2 1 331.460 1.822 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001032960412 710969326 /nfs/dbraw/zinc/96/93/26/710969326.db2.gz SDACGBAWZLIYIM-FUHWJXTLSA-N 2 1 331.460 1.822 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001032960412 710969329 /nfs/dbraw/zinc/96/93/29/710969329.db2.gz SDACGBAWZLIYIM-FUHWJXTLSA-N 2 1 331.460 1.822 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001034763517 711035119 /nfs/dbraw/zinc/03/51/19/711035119.db2.gz SPWKBNIIPUDSAM-SHTZXODSSA-N 2 1 331.395 1.867 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001032971924 711035511 /nfs/dbraw/zinc/03/55/11/711035511.db2.gz BDHHPQBYTJRXLA-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001032971924 711035514 /nfs/dbraw/zinc/03/55/14/711035514.db2.gz BDHHPQBYTJRXLA-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001032971924 711035517 /nfs/dbraw/zinc/03/55/17/711035517.db2.gz BDHHPQBYTJRXLA-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001032971924 711035520 /nfs/dbraw/zinc/03/55/20/711035520.db2.gz BDHHPQBYTJRXLA-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034776730 711054124 /nfs/dbraw/zinc/05/41/24/711054124.db2.gz YVEJLPMHMVTHIG-ULQDDVLXSA-N 2 1 345.491 1.644 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001032979323 711101335 /nfs/dbraw/zinc/10/13/35/711101335.db2.gz GXXUXGFVEXQLRB-RBUKOAKNSA-N 2 1 345.487 1.483 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC001032979323 711101338 /nfs/dbraw/zinc/10/13/38/711101338.db2.gz GXXUXGFVEXQLRB-RBUKOAKNSA-N 2 1 345.487 1.483 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCCc2ccccc2)C1 ZINC001032979323 711101342 /nfs/dbraw/zinc/10/13/42/711101342.db2.gz GXXUXGFVEXQLRB-RBUKOAKNSA-N 2 1 345.487 1.483 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCCc2ccccc2)C1 ZINC001032979323 711101345 /nfs/dbraw/zinc/10/13/45/711101345.db2.gz GXXUXGFVEXQLRB-RBUKOAKNSA-N 2 1 345.487 1.483 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2cnoc2C)CC1 ZINC001034795221 711112916 /nfs/dbraw/zinc/11/29/16/711112916.db2.gz WVQYQGXRUCELPH-WKILWMFISA-N 2 1 331.420 1.705 20 0 EDADMP Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)n1 ZINC001034793702 711124630 /nfs/dbraw/zinc/12/46/30/711124630.db2.gz NHGAKFQHLZNMJT-QEJZJMRPSA-N 2 1 335.452 1.552 20 0 EDADMP Cn1nccc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001034811150 711173530 /nfs/dbraw/zinc/17/35/30/711173530.db2.gz RGMCDIWYSXSDFK-GOSISDBHSA-N 2 1 341.459 1.420 20 0 EDADMP CC(C)n1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001034882939 711284789 /nfs/dbraw/zinc/28/47/89/711284789.db2.gz IMVYMFPZXWUHQS-CVEARBPZSA-N 2 1 334.468 1.034 20 0 EDADMP CC(C)n1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001034882939 711284791 /nfs/dbraw/zinc/28/47/91/711284791.db2.gz IMVYMFPZXWUHQS-CVEARBPZSA-N 2 1 334.468 1.034 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1conc1C ZINC001034954432 711420438 /nfs/dbraw/zinc/42/04/38/711420438.db2.gz QJQDKCJRPMILCN-SJORKVTESA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnnn1CC ZINC001034956186 711425419 /nfs/dbraw/zinc/42/54/19/711425419.db2.gz PHNKQHOMGAFEBO-WBVHZDCISA-N 2 1 348.495 1.253 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc3c1OCO3)C2 ZINC000922388324 711431336 /nfs/dbraw/zinc/43/13/36/711431336.db2.gz OYEBFLJALWKCIB-RGCFKVTRSA-N 2 1 332.444 1.985 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001034958489 711432457 /nfs/dbraw/zinc/43/24/57/711432457.db2.gz JNOKVASRSWDVKD-JKSUJKDBSA-N 2 1 335.452 1.413 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001034958489 711432458 /nfs/dbraw/zinc/43/24/58/711432458.db2.gz JNOKVASRSWDVKD-JKSUJKDBSA-N 2 1 335.452 1.413 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncc(C2CC2)o1)C1CC1 ZINC001034958898 711433355 /nfs/dbraw/zinc/43/33/55/711433355.db2.gz OJWKXGUPADNTSX-CRAIPNDOSA-N 2 1 346.475 1.973 20 0 EDADMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncnn3C(C)C)C2)[C@H]1C(C)C ZINC000922392215 711457355 /nfs/dbraw/zinc/45/73/55/711457355.db2.gz FFOYUFXRVMXUSY-AHCXZYCDSA-N 2 1 335.496 1.818 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncnn3C(C)C)C2)[C@H]1C(C)C ZINC000922392215 711457356 /nfs/dbraw/zinc/45/73/56/711457356.db2.gz FFOYUFXRVMXUSY-AHCXZYCDSA-N 2 1 335.496 1.818 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)cn1 ZINC001004146515 711557100 /nfs/dbraw/zinc/55/71/00/711557100.db2.gz UWYMUZOIMSYBBH-HNNXBMFYSA-N 2 1 331.464 1.522 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922465344 711581121 /nfs/dbraw/zinc/58/11/21/711581121.db2.gz BAWJCRSGSCEGSY-JYJNAYRXSA-N 2 1 340.537 1.740 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922465344 711581123 /nfs/dbraw/zinc/58/11/23/711581123.db2.gz BAWJCRSGSCEGSY-JYJNAYRXSA-N 2 1 340.537 1.740 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000922465344 711581126 /nfs/dbraw/zinc/58/11/26/711581126.db2.gz BAWJCRSGSCEGSY-JYJNAYRXSA-N 2 1 340.537 1.740 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCCC3CCC3)CC2)C1 ZINC001004177842 711632209 /nfs/dbraw/zinc/63/22/09/711632209.db2.gz CVLQADOJXSUPRX-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCCC3CCC3)CC2)C1 ZINC001004177842 711632212 /nfs/dbraw/zinc/63/22/12/711632212.db2.gz CVLQADOJXSUPRX-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033126150 711872045 /nfs/dbraw/zinc/87/20/45/711872045.db2.gz KTKKIIWIHGGHJR-AEFFLSMTSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033126150 711872048 /nfs/dbraw/zinc/87/20/48/711872048.db2.gz KTKKIIWIHGGHJR-AEFFLSMTSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033126150 711872050 /nfs/dbraw/zinc/87/20/50/711872050.db2.gz KTKKIIWIHGGHJR-AEFFLSMTSA-N 2 1 337.508 1.963 20 0 EDADMP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004501670 711902102 /nfs/dbraw/zinc/90/21/02/711902102.db2.gz ZIFLKHHANGMKQX-RBUKOAKNSA-N 2 1 349.519 1.556 20 0 EDADMP O=C(N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1)[C@@]12CC[NH+](C1)CCC2 ZINC001004601163 712045428 /nfs/dbraw/zinc/04/54/28/712045428.db2.gz NQVRYKLMJUHPED-ICSRJNTNSA-N 2 1 349.519 1.558 20 0 EDADMP O=C(N1CCC([C@@H]2CCC[NH+]2CCCO)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001004601163 712045429 /nfs/dbraw/zinc/04/54/29/712045429.db2.gz NQVRYKLMJUHPED-ICSRJNTNSA-N 2 1 349.519 1.558 20 0 EDADMP O=C(N1CCC([C@@H]2CCC[NH+]2CCCO)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001004601163 712045430 /nfs/dbraw/zinc/04/54/30/712045430.db2.gz NQVRYKLMJUHPED-ICSRJNTNSA-N 2 1 349.519 1.558 20 0 EDADMP CO[C@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004619014 712079952 /nfs/dbraw/zinc/07/99/52/712079952.db2.gz ZERPJRDTYBZPGT-CRAIPNDOSA-N 2 1 348.491 1.929 20 0 EDADMP CO[C@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004619014 712079954 /nfs/dbraw/zinc/07/99/54/712079954.db2.gz ZERPJRDTYBZPGT-CRAIPNDOSA-N 2 1 348.491 1.929 20 0 EDADMP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033151953 712140899 /nfs/dbraw/zinc/14/08/99/712140899.db2.gz MNQQSEWMPZPYAX-HOTGVXAUSA-N 2 1 342.447 1.190 20 0 EDADMP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033151953 712140901 /nfs/dbraw/zinc/14/09/01/712140901.db2.gz MNQQSEWMPZPYAX-HOTGVXAUSA-N 2 1 342.447 1.190 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033152243 712145714 /nfs/dbraw/zinc/14/57/14/712145714.db2.gz NUOSBSBHBNQEKZ-DLBZAZTESA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033152243 712145718 /nfs/dbraw/zinc/14/57/18/712145718.db2.gz NUOSBSBHBNQEKZ-DLBZAZTESA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033152243 712145721 /nfs/dbraw/zinc/14/57/21/712145721.db2.gz NUOSBSBHBNQEKZ-DLBZAZTESA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033152243 712145724 /nfs/dbraw/zinc/14/57/24/712145724.db2.gz NUOSBSBHBNQEKZ-DLBZAZTESA-N 2 1 347.507 1.716 20 0 EDADMP CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946662820 712291439 /nfs/dbraw/zinc/29/14/39/712291439.db2.gz QCUPILUYLZVCNK-KURKYZTESA-N 2 1 349.519 1.820 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cn1 ZINC000268208274 282198079 /nfs/dbraw/zinc/19/80/79/282198079.db2.gz NEOKIYUSYUPPFM-CJNGLKHVSA-N 2 1 342.447 1.667 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000343477856 282221145 /nfs/dbraw/zinc/22/11/45/282221145.db2.gz OZPOUWWTRWVTJR-HKUYNNGSSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CCSC1 ZINC000353333503 282274123 /nfs/dbraw/zinc/27/41/23/282274123.db2.gz YPWQVLWJXSQTAY-INMHGKMJSA-N 2 1 340.537 1.549 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000561166619 306283640 /nfs/dbraw/zinc/28/36/40/306283640.db2.gz UARPKCJXBDKWMK-QXAKKESOSA-N 2 1 344.503 1.930 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCCC[C@@H]2C)C1 ZINC000339241095 539701593 /nfs/dbraw/zinc/70/15/93/539701593.db2.gz VWTNLCCVMSDWCR-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000339241095 539701599 /nfs/dbraw/zinc/70/15/99/539701599.db2.gz VWTNLCCVMSDWCR-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000339241095 539701602 /nfs/dbraw/zinc/70/16/02/539701602.db2.gz VWTNLCCVMSDWCR-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)CC(C)C ZINC000151389813 539751992 /nfs/dbraw/zinc/75/19/92/539751992.db2.gz MODFKYYJGUAPBA-ULQDDVLXSA-N 2 1 342.528 1.761 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)CC(C)C ZINC000151389813 539751997 /nfs/dbraw/zinc/75/19/97/539751997.db2.gz MODFKYYJGUAPBA-ULQDDVLXSA-N 2 1 342.528 1.761 20 0 EDADMP C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000151444370 539753876 /nfs/dbraw/zinc/75/38/76/539753876.db2.gz XGONBSJYCXTMTE-CVYDXHPNSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000151444370 539753882 /nfs/dbraw/zinc/75/38/82/539753882.db2.gz XGONBSJYCXTMTE-CVYDXHPNSA-N 2 1 340.512 1.515 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000343019602 539777812 /nfs/dbraw/zinc/77/78/12/539777812.db2.gz ZXMQJGFKVLZISX-ZBFHGGJFSA-N 2 1 349.479 1.029 20 0 EDADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)cc1 ZINC000343326495 539785605 /nfs/dbraw/zinc/78/56/05/539785605.db2.gz XNVVLAFDNHIYNE-ROUUACIJSA-N 2 1 333.476 1.864 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC3(CCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000343777241 539796594 /nfs/dbraw/zinc/79/65/94/539796594.db2.gz XVCYSMJHARUACF-ZACQAIPSSA-N 2 1 325.497 1.017 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000352922387 539929043 /nfs/dbraw/zinc/92/90/43/539929043.db2.gz REGBFPXYDWKEPZ-GBGWRMMESA-N 2 1 325.497 1.014 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000562949526 306313413 /nfs/dbraw/zinc/31/34/13/306313413.db2.gz HRWJPDSZTWMGGU-PKOBYXMFSA-N 2 1 331.460 1.176 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000563545909 306338253 /nfs/dbraw/zinc/33/82/53/306338253.db2.gz SJYQIARPDIRVEE-GOSISDBHSA-N 2 1 345.491 1.067 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000079599062 138262228 /nfs/dbraw/zinc/26/22/28/138262228.db2.gz QXPMJPRMSSEWOW-JKSUJKDBSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000081265187 138265998 /nfs/dbraw/zinc/26/59/98/138265998.db2.gz WRJJBPUQBLAWTF-IBGZPJMESA-N 2 1 345.487 1.796 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000081265187 138265999 /nfs/dbraw/zinc/26/59/99/138265999.db2.gz WRJJBPUQBLAWTF-IBGZPJMESA-N 2 1 345.487 1.796 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000089393793 138274114 /nfs/dbraw/zinc/27/41/14/138274114.db2.gz RCIDNHPFVUGIHD-QGZVFWFLSA-N 2 1 332.448 1.135 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000089393793 138274115 /nfs/dbraw/zinc/27/41/15/138274115.db2.gz RCIDNHPFVUGIHD-QGZVFWFLSA-N 2 1 332.448 1.135 20 0 EDADMP C[N@@H+](CCNS(C)(=O)=O)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821029 138290583 /nfs/dbraw/zinc/29/05/83/138290583.db2.gz GADSLCKQLGMGFR-UHFFFAOYSA-N 2 1 340.493 1.169 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc4c3OCCO4)C2)CC1 ZINC000107368300 138304134 /nfs/dbraw/zinc/30/41/34/138304134.db2.gz HJSPRCNTBVKIFX-KRWDZBQOSA-N 2 1 331.460 1.670 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1CCCOCC1)c1cccs1 ZINC000187815456 236307571 /nfs/dbraw/zinc/30/75/71/236307571.db2.gz YVVATGWPCGUAKB-AWEZNQCLSA-N 2 1 340.493 1.372 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)COC)CC2)CC1 ZINC000643343732 452142539 /nfs/dbraw/zinc/14/25/39/452142539.db2.gz ZEBRIUMWHOKZQL-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)COC)CC2)CC1 ZINC000643343732 452142545 /nfs/dbraw/zinc/14/25/45/452142545.db2.gz ZEBRIUMWHOKZQL-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)C2)C1 ZINC000564116410 306356073 /nfs/dbraw/zinc/35/60/73/306356073.db2.gz TZYLCRYOOVJXSI-GOSISDBHSA-N 2 1 332.448 1.828 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)C2)C1 ZINC000564116410 306356074 /nfs/dbraw/zinc/35/60/74/306356074.db2.gz TZYLCRYOOVJXSI-GOSISDBHSA-N 2 1 332.448 1.828 20 0 EDADMP [NH3+]C1(C(=O)N2CCC[N@H+](C3CCOCC3)CC2)Cc2ccccc2C1 ZINC000364224260 283398417 /nfs/dbraw/zinc/39/84/17/283398417.db2.gz ZQRGOHYVRLUEKW-UHFFFAOYSA-N 2 1 343.471 1.196 20 0 EDADMP C[C@](O)(C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000564560873 306360771 /nfs/dbraw/zinc/36/07/71/306360771.db2.gz HEHRWLGACUTJKD-GJZGRUSLSA-N 2 1 332.366 1.656 20 0 EDADMP CN(CCCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC000564895901 306368614 /nfs/dbraw/zinc/36/86/14/306368614.db2.gz MVRHRCGRMXEKOA-IBGZPJMESA-N 2 1 344.503 1.751 20 0 EDADMP CN(CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC000564895901 306368616 /nfs/dbraw/zinc/36/86/16/306368616.db2.gz MVRHRCGRMXEKOA-IBGZPJMESA-N 2 1 344.503 1.751 20 0 EDADMP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000564949355 306371043 /nfs/dbraw/zinc/37/10/43/306371043.db2.gz HYNBUTOLHRPMCV-FUHWJXTLSA-N 2 1 330.476 1.881 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496585079 299303435 /nfs/dbraw/zinc/30/34/35/299303435.db2.gz GYMQFFBPBFREPX-RRFJBIMHSA-N 2 1 329.485 1.677 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000155251310 296018001 /nfs/dbraw/zinc/01/80/01/296018001.db2.gz IQRCHNIQUOICSZ-SFHVURJKSA-N 2 1 335.492 1.717 20 0 EDADMP CN(C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1CCC[N@H+](C)C1 ZINC000072497350 216263429 /nfs/dbraw/zinc/26/34/29/216263429.db2.gz AXAYEZGNSYAPEA-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CN(C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1CCC[N@@H+](C)C1 ZINC000072497350 216263431 /nfs/dbraw/zinc/26/34/31/216263431.db2.gz AXAYEZGNSYAPEA-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CN(C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CCC[NH+](C)C1 ZINC000072497350 216263433 /nfs/dbraw/zinc/26/34/33/216263433.db2.gz AXAYEZGNSYAPEA-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CN(C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CCC[NH+](C)C1 ZINC000072497350 216263435 /nfs/dbraw/zinc/26/34/35/216263435.db2.gz AXAYEZGNSYAPEA-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@H]1SCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000262246265 291260176 /nfs/dbraw/zinc/26/01/76/291260176.db2.gz WNSOJUVYBWBBMJ-CRAIPNDOSA-N 2 1 333.501 1.987 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)N[C@H]3CC[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000566021510 306396984 /nfs/dbraw/zinc/39/69/84/306396984.db2.gz ZRJBSOJGSYWGCA-JCGIZDLHSA-N 2 1 344.459 1.634 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)C1 ZINC000414694764 304128243 /nfs/dbraw/zinc/12/82/43/304128243.db2.gz NRUMTZDZCRYMCI-VQIMIIECSA-N 2 1 345.487 1.556 20 0 EDADMP CC(C)C[C@@H]([NH3+])CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000414703659 304130493 /nfs/dbraw/zinc/13/04/93/304130493.db2.gz VSNNNZHQTCQNLL-MSOLQXFVSA-N 2 1 335.492 1.417 20 0 EDADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CCCc2[nH+]ccn21 ZINC000354447058 283933158 /nfs/dbraw/zinc/93/31/58/283933158.db2.gz GFFOTVYOIGWPFW-HOCLYGCPSA-N 2 1 332.448 1.378 20 0 EDADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1-n1cncn1 ZINC000414782806 304140110 /nfs/dbraw/zinc/14/01/10/304140110.db2.gz OWOYBTZUCBMDCX-KRWDZBQOSA-N 2 1 341.459 1.763 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414797920 304142003 /nfs/dbraw/zinc/14/20/03/304142003.db2.gz WXXAFMNHXKMLLD-KBXCAEBGSA-N 2 1 341.459 1.730 20 0 EDADMP Cc1nn(C)c(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c1Br ZINC000415006227 304150251 /nfs/dbraw/zinc/15/02/51/304150251.db2.gz SQBAOVOLAPAACO-VIFPVBQESA-N 2 1 337.212 1.825 20 0 EDADMP COC(=O)COc1c(C)cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1C ZINC000415116996 304161497 /nfs/dbraw/zinc/16/14/97/304161497.db2.gz YYDNUMHKDHRPMX-INIZCTEOSA-N 2 1 336.432 1.405 20 0 EDADMP COC(=O)COc1c(C)cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1C ZINC000415116996 304161499 /nfs/dbraw/zinc/16/14/99/304161499.db2.gz YYDNUMHKDHRPMX-INIZCTEOSA-N 2 1 336.432 1.405 20 0 EDADMP c1cc2c(cc1C[N@H+]1CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]31)OCCO2 ZINC000415124287 304162317 /nfs/dbraw/zinc/16/23/17/304162317.db2.gz BXXWWGVZDBLIHT-CVEARBPZSA-N 2 1 330.428 1.658 20 0 EDADMP COC(=O)c1cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)oc1C ZINC000415134286 304162386 /nfs/dbraw/zinc/16/23/86/304162386.db2.gz VXCRDQDPRPNMJX-ZDUSSCGKSA-N 2 1 333.392 1.262 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)oc1C ZINC000415134286 304162388 /nfs/dbraw/zinc/16/23/88/304162388.db2.gz VXCRDQDPRPNMJX-ZDUSSCGKSA-N 2 1 333.392 1.262 20 0 EDADMP Cc1ccsc1C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415132113 304162462 /nfs/dbraw/zinc/16/24/62/304162462.db2.gz AEUNWTSZCYZOSW-LSDHHAIUSA-N 2 1 334.489 1.777 20 0 EDADMP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195253874 139011530 /nfs/dbraw/zinc/01/15/30/139011530.db2.gz RUOGJXKIRRRYBX-IXDOHACOSA-N 2 1 331.485 1.454 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)[C@H](C)C1 ZINC000415142455 304163912 /nfs/dbraw/zinc/16/39/12/304163912.db2.gz AMYPUGNRSBWLDR-PBHICJAKSA-N 2 1 346.475 1.533 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@@H]1C ZINC000415149090 304165082 /nfs/dbraw/zinc/16/50/82/304165082.db2.gz MUIDBEMMNBCVGA-UONOGXRCSA-N 2 1 332.448 1.286 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@@H]1C ZINC000415149090 304165083 /nfs/dbraw/zinc/16/50/83/304165083.db2.gz MUIDBEMMNBCVGA-UONOGXRCSA-N 2 1 332.448 1.286 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000415148690 304165123 /nfs/dbraw/zinc/16/51/23/304165123.db2.gz LTPVNVBHSKZZTB-LSDHHAIUSA-N 2 1 346.475 1.676 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000415148690 304165126 /nfs/dbraw/zinc/16/51/26/304165126.db2.gz LTPVNVBHSKZZTB-LSDHHAIUSA-N 2 1 346.475 1.676 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415148302 304165348 /nfs/dbraw/zinc/16/53/48/304165348.db2.gz KFOSKPSJICZLKX-XKQJLSEDSA-N 2 1 344.459 1.730 20 0 EDADMP CCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000236852223 139033475 /nfs/dbraw/zinc/03/34/75/139033475.db2.gz RBSVJLAFWACRIS-SFHVURJKSA-N 2 1 332.492 1.438 20 0 EDADMP CC[C@@H](NC(=O)C[NH2+]CCOC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236902197 139034669 /nfs/dbraw/zinc/03/46/69/139034669.db2.gz FSXFUHAUUJUNJV-MSOLQXFVSA-N 2 1 349.475 1.018 20 0 EDADMP CC[C@@H](NC(=O)C[NH2+]CCOC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236902197 139034670 /nfs/dbraw/zinc/03/46/70/139034670.db2.gz FSXFUHAUUJUNJV-MSOLQXFVSA-N 2 1 349.475 1.018 20 0 EDADMP C[NH2+]CCCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000237234932 139045184 /nfs/dbraw/zinc/04/51/84/139045184.db2.gz ZADSISNERBWREM-KRWDZBQOSA-N 2 1 346.475 1.791 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)CCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000237493617 139052512 /nfs/dbraw/zinc/05/25/12/139052512.db2.gz GAZNXFWKNKWCLY-HUUCEWRRSA-N 2 1 325.497 1.770 20 0 EDADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000567639123 306457573 /nfs/dbraw/zinc/45/75/73/306457573.db2.gz XOJRYZXFMXGFIE-AWEZNQCLSA-N 2 1 327.494 1.976 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2)C[C@@H](C)O1 ZINC000245668484 139082491 /nfs/dbraw/zinc/08/24/91/139082491.db2.gz JMQMNZYUYFVWDN-HBUWYVDXSA-N 2 1 331.460 1.763 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000246519126 139111654 /nfs/dbraw/zinc/11/16/54/139111654.db2.gz RDLMBGCMQYWMNW-NUJGCVRESA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000246569121 139113238 /nfs/dbraw/zinc/11/32/38/139113238.db2.gz DTMCUBLHLMFPIW-FGTMMUONSA-N 2 1 337.508 1.678 20 0 EDADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246569121 139113239 /nfs/dbraw/zinc/11/32/39/139113239.db2.gz DTMCUBLHLMFPIW-FGTMMUONSA-N 2 1 337.508 1.678 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)CC2)cs1 ZINC000248699888 139172243 /nfs/dbraw/zinc/17/22/43/139172243.db2.gz ZKLPVZHNPBFZSD-XIRDDKMYSA-N 2 1 348.516 1.859 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)C[C@H]1C ZINC000248752331 139174280 /nfs/dbraw/zinc/17/42/80/139174280.db2.gz UUTZYIIPFNECBZ-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C3(C)Cc4ccccc4C3)cn2)CC1 ZINC000092853760 218176203 /nfs/dbraw/zinc/17/62/03/218176203.db2.gz AYHNEHRSCQQZEE-UHFFFAOYSA-N 2 1 337.471 1.876 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NC3CC3)C2)[nH+]1 ZINC000249879200 139199728 /nfs/dbraw/zinc/19/97/28/139199728.db2.gz MSCLDRWAOGPVGH-KGLIPLIRSA-N 2 1 345.447 1.501 20 0 EDADMP CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261637991 139213342 /nfs/dbraw/zinc/21/33/42/139213342.db2.gz HZPBPRLHYBFKBU-SFHVURJKSA-N 2 1 330.476 1.728 20 0 EDADMP CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261637991 139213343 /nfs/dbraw/zinc/21/33/43/139213343.db2.gz HZPBPRLHYBFKBU-SFHVURJKSA-N 2 1 330.476 1.728 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000261654508 139214775 /nfs/dbraw/zinc/21/47/75/139214775.db2.gz FSKDFDXHNZDHRA-WBVHZDCISA-N 2 1 330.476 1.243 20 0 EDADMP [NH3+][C@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CCOCC1 ZINC000261696695 139218406 /nfs/dbraw/zinc/21/84/06/139218406.db2.gz HWOGPPQNNLHCTR-SFHVURJKSA-N 2 1 347.459 1.254 20 0 EDADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261788508 139226210 /nfs/dbraw/zinc/22/62/10/139226210.db2.gz YONQUYCFTKHICH-FUHWJXTLSA-N 2 1 330.476 1.186 20 0 EDADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cc(OC)cc(OC)c2)CC1 ZINC000262003687 139243225 /nfs/dbraw/zinc/24/32/25/139243225.db2.gz QMWXUNILCGEBOV-UHFFFAOYSA-N 2 1 335.448 1.964 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262067861 139248152 /nfs/dbraw/zinc/24/81/52/139248152.db2.gz SEVZKKLNPBUXQT-FHLIZLRMSA-N 2 1 331.460 1.692 20 0 EDADMP C[N@@H+](CCOc1ccccc1Cl)CCC(=O)N1CC[NH2+]CC1 ZINC000262287895 139266826 /nfs/dbraw/zinc/26/68/26/139266826.db2.gz ZVBJGRDTWDAXCH-UHFFFAOYSA-N 2 1 325.840 1.473 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[NH2+]C[C@](C)(F)C1)c1cccc(F)c1 ZINC000416829733 251111804 /nfs/dbraw/zinc/11/18/04/251111804.db2.gz GBSSXVCCILWYOK-RDJZCZTQSA-N 2 1 340.418 1.771 20 0 EDADMP COCC1(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000262317936 139269556 /nfs/dbraw/zinc/26/95/56/139269556.db2.gz BXFOZDXERRYEOS-CALCHBBNSA-N 2 1 339.524 1.877 20 0 EDADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417089888 251141564 /nfs/dbraw/zinc/14/15/64/251141564.db2.gz SGWMYQDQAVFFEU-GBESFXJTSA-N 2 1 342.487 1.902 20 0 EDADMP C[C@H](CNC(=O)N1CCC(C[NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000417306832 251153294 /nfs/dbraw/zinc/15/32/94/251153294.db2.gz AVABQJLUVXKHQE-OAHLLOKOSA-N 2 1 330.476 1.814 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000417497000 251181673 /nfs/dbraw/zinc/18/16/73/251181673.db2.gz CJUFWPNOPYFGSP-MOPGFXCFSA-N 2 1 344.503 1.944 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417556625 251187486 /nfs/dbraw/zinc/18/74/86/251187486.db2.gz PAPQWJLCNSKUNP-KBPBESRZSA-N 2 1 332.439 1.937 20 0 EDADMP CC[NH2+]CCNC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000417600381 251203480 /nfs/dbraw/zinc/20/34/80/251203480.db2.gz GGUKCKWUHJBQDP-UHFFFAOYSA-N 2 1 337.468 1.412 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)CC2)[nH+]1 ZINC000417690437 251229400 /nfs/dbraw/zinc/22/94/00/251229400.db2.gz ICVCCYRDQLVRDY-LJQANCHMSA-N 2 1 343.475 1.754 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)CC2)[nH+]1 ZINC000417687334 251230089 /nfs/dbraw/zinc/23/00/89/251230089.db2.gz CHNKWGCGCQBBQR-HUUCEWRRSA-N 2 1 331.464 1.751 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000417700408 251234076 /nfs/dbraw/zinc/23/40/76/251234076.db2.gz MCFKKXGPAAIQNV-MRXNPFEDSA-N 2 1 331.464 1.752 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)CCC[NH3+])[C@@H](C)C1 ZINC000417670912 251222342 /nfs/dbraw/zinc/22/23/42/251222342.db2.gz PCIPAEJWNFBQSO-JKSUJKDBSA-N 2 1 342.528 1.940 20 0 EDADMP COCC1(CNC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000262444545 139279399 /nfs/dbraw/zinc/27/93/99/139279399.db2.gz VGJVQPYTQDHHHI-INIZCTEOSA-N 2 1 333.476 1.639 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)CC2)[nH+]c1 ZINC000417730464 251246256 /nfs/dbraw/zinc/24/62/56/251246256.db2.gz MMVMLDWOCMBAAT-JKSUJKDBSA-N 2 1 345.491 1.985 20 0 EDADMP [NH3+]Cc1nc(-c2ccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])cc2)n[nH]1 ZINC000417831412 251288963 /nfs/dbraw/zinc/28/89/63/251288963.db2.gz QSOOZYLHHSDSBV-JSGCOSHPSA-N 2 1 328.420 1.777 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@H]3CCC[C@@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000417835058 251290347 /nfs/dbraw/zinc/29/03/47/251290347.db2.gz NNHANQGBKOYGFB-ZBFHGGJFSA-N 2 1 346.479 1.489 20 0 EDADMP C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1C[NH3+] ZINC000418112126 251326882 /nfs/dbraw/zinc/32/68/82/251326882.db2.gz HUYJUCGYOMSUBH-OAGGEKHMSA-N 2 1 326.485 1.114 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000418119181 251333184 /nfs/dbraw/zinc/33/31/84/251333184.db2.gz UMCJLYGBDFZAHP-CVEARBPZSA-N 2 1 326.485 1.176 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@H]([NH3+])CC)CC2)cn1 ZINC000418701138 251387748 /nfs/dbraw/zinc/38/77/48/251387748.db2.gz CPCPJUHKTLJRMQ-MRXNPFEDSA-N 2 1 336.484 1.248 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)NC[C@H]([NH3+])CC)CC2)cn1 ZINC000418701138 251387751 /nfs/dbraw/zinc/38/77/51/251387751.db2.gz CPCPJUHKTLJRMQ-MRXNPFEDSA-N 2 1 336.484 1.248 20 0 EDADMP [NH3+][C@H]1CC[C@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000262632275 139291649 /nfs/dbraw/zinc/29/16/49/139291649.db2.gz FVEKKQLCODULNP-HOCLYGCPSA-N 2 1 334.439 1.191 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262761693 139301768 /nfs/dbraw/zinc/30/17/68/139301768.db2.gz LLWPDEBHSSBMMF-OAHLLOKOSA-N 2 1 330.436 1.475 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000262834963 139306860 /nfs/dbraw/zinc/30/68/60/139306860.db2.gz QSTVCFYDWMOEIY-CQSZACIVSA-N 2 1 338.883 1.706 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000422886404 252011379 /nfs/dbraw/zinc/01/13/79/252011379.db2.gz WREIXYWFBIJIGO-HZPDHXFCSA-N 2 1 349.475 1.960 20 0 EDADMP C[C@@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)c1c[nH+]ccc1N ZINC000423066566 252031676 /nfs/dbraw/zinc/03/16/76/252031676.db2.gz XDVXFILBPYZBQI-CYBMUJFWSA-N 2 1 345.447 1.790 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423737359 252067018 /nfs/dbraw/zinc/06/70/18/252067018.db2.gz TWTUEKNZLKFTNP-QGZVFWFLSA-N 2 1 331.460 1.872 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424143932 252141845 /nfs/dbraw/zinc/14/18/45/252141845.db2.gz KGASDBGXPGFODT-GJZGRUSLSA-N 2 1 333.480 1.301 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000153286153 224084448 /nfs/dbraw/zinc/08/44/48/224084448.db2.gz ZSUQGHCUYOFRKC-NYTXWWLZSA-N 2 1 336.432 1.473 20 0 EDADMP Cc1cccc2nc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc(=O)n12 ZINC000424288572 252190323 /nfs/dbraw/zinc/19/03/23/252190323.db2.gz KQUUOTVVMNCBHS-HNNXBMFYSA-N 2 1 326.444 1.967 20 0 EDADMP C[C@H]1CC2(C[N@H+]1Cc1cnc(N3CCN(C)CC3)nc1)CC[NH2+]CC2 ZINC000424370738 252202697 /nfs/dbraw/zinc/20/26/97/252202697.db2.gz CRAJYGGSIVZGSX-INIZCTEOSA-N 2 1 344.507 1.192 20 0 EDADMP C[C@H]1CC2(C[N@@H+]1Cc1cnc(N3CC[NH+](C)CC3)nc1)CC[NH2+]CC2 ZINC000424370738 252202699 /nfs/dbraw/zinc/20/26/99/252202699.db2.gz CRAJYGGSIVZGSX-INIZCTEOSA-N 3 1 344.507 1.192 20 0 EDADMP C[C@H]1CC2(C[N@H+]1Cc1cnc(N3CC[NH+](C)CC3)nc1)CC[NH2+]CC2 ZINC000424370738 252202701 /nfs/dbraw/zinc/20/27/01/252202701.db2.gz CRAJYGGSIVZGSX-INIZCTEOSA-N 3 1 344.507 1.192 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@@H]1C ZINC000424445431 252233949 /nfs/dbraw/zinc/23/39/49/252233949.db2.gz FNBQJIFTKUEYAS-YOEHRIQHSA-N 2 1 346.475 1.723 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000424445450 252235291 /nfs/dbraw/zinc/23/52/91/252235291.db2.gz FOXHMBBOBVGSAX-OAHLLOKOSA-N 2 1 346.475 1.486 20 0 EDADMP C[N@@H+](CCCCCO)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000263697746 139353622 /nfs/dbraw/zinc/35/36/22/139353622.db2.gz AUOOLBVJZKOOMS-UHFFFAOYSA-N 2 1 333.476 1.425 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000471643573 255015400 /nfs/dbraw/zinc/01/54/00/255015400.db2.gz RFFYAIWAZCTTPB-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000487281322 255028405 /nfs/dbraw/zinc/02/84/05/255028405.db2.gz SEMHBBHPRGSOEY-CWLKWCNXSA-N 2 1 347.507 1.459 20 0 EDADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000487281322 255028407 /nfs/dbraw/zinc/02/84/07/255028407.db2.gz SEMHBBHPRGSOEY-CWLKWCNXSA-N 2 1 347.507 1.459 20 0 EDADMP C[NH+](C)C/C=C\C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000492593311 255181920 /nfs/dbraw/zinc/18/19/20/255181920.db2.gz KEJIAXKLUGBMHA-OEPRFQHASA-N 2 1 331.460 1.377 20 0 EDADMP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000492713192 255185699 /nfs/dbraw/zinc/18/56/99/255185699.db2.gz YSHGBISRSKYUKQ-IYKSTZQJSA-N 2 1 336.505 1.850 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495458839 255286292 /nfs/dbraw/zinc/28/62/92/255286292.db2.gz NPQVJWLUOCRYEH-IAGOWNOFSA-N 2 1 327.469 1.290 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495458839 255286293 /nfs/dbraw/zinc/28/62/93/255286293.db2.gz NPQVJWLUOCRYEH-IAGOWNOFSA-N 2 1 327.469 1.290 20 0 EDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000496152587 255357749 /nfs/dbraw/zinc/35/77/49/255357749.db2.gz BLYKTDCEOLVJFG-OAHLLOKOSA-N 2 1 329.485 1.536 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000496152587 255357750 /nfs/dbraw/zinc/35/77/50/255357750.db2.gz BLYKTDCEOLVJFG-OAHLLOKOSA-N 2 1 329.485 1.536 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(N(C)C)nc1 ZINC000349073228 285282502 /nfs/dbraw/zinc/28/25/02/285282502.db2.gz KFJHVNXTNXEGFM-KRWDZBQOSA-N 2 1 334.512 1.391 20 0 EDADMP O[C@@H](C[NH+]1CCC[C@@H]1[C@@H]1CCCO1)C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375372825 285301886 /nfs/dbraw/zinc/30/18/86/285301886.db2.gz GOBJHLRTRGWFTN-BSHDOZJQSA-N 2 1 338.492 1.634 20 0 EDADMP O[C@H](C[NH+]1CCC[C@H]1[C@H]1CCCO1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375372825 285301890 /nfs/dbraw/zinc/30/18/90/285301890.db2.gz GOBJHLRTRGWFTN-BSHDOZJQSA-N 2 1 338.492 1.634 20 0 EDADMP O[C@H](C[NH+]1CCC[C@H]1[C@H]1CCCO1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375372825 285301896 /nfs/dbraw/zinc/30/18/96/285301896.db2.gz GOBJHLRTRGWFTN-BSHDOZJQSA-N 2 1 338.492 1.634 20 0 EDADMP COCC[N@H+](C)CCNC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000116955927 221016327 /nfs/dbraw/zinc/01/63/27/221016327.db2.gz LCZBPUCLZMZNEE-UHFFFAOYSA-N 2 1 349.479 1.236 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000116955927 221016329 /nfs/dbraw/zinc/01/63/29/221016329.db2.gz LCZBPUCLZMZNEE-UHFFFAOYSA-N 2 1 349.479 1.236 20 0 EDADMP CC(C)(O)[C@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000119032792 221227159 /nfs/dbraw/zinc/22/71/59/221227159.db2.gz QITOYIIIBJSASE-HZPDHXFCSA-N 2 1 328.497 1.474 20 0 EDADMP CC[N@H+](CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C1CC1 ZINC000264245435 139389710 /nfs/dbraw/zinc/38/97/10/139389710.db2.gz PKHSVZUQKJOEIB-IBGZPJMESA-N 2 1 344.503 1.576 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C1CC1 ZINC000264245435 139389711 /nfs/dbraw/zinc/38/97/11/139389711.db2.gz PKHSVZUQKJOEIB-IBGZPJMESA-N 2 1 344.503 1.576 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)[C@H](C)C1 ZINC000430798817 285395329 /nfs/dbraw/zinc/39/53/29/285395329.db2.gz VDUYTDOWXAPRGJ-CJNGLKHVSA-N 2 1 348.495 1.313 20 0 EDADMP COc1cccc(CNC(=O)C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130735467 533489164 /nfs/dbraw/zinc/48/91/64/533489164.db2.gz YGDCOHRNUHKXQZ-UHFFFAOYSA-N 2 1 330.432 1.838 20 0 EDADMP COc1cccc(CNC(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130735467 533489166 /nfs/dbraw/zinc/48/91/66/533489166.db2.gz YGDCOHRNUHKXQZ-UHFFFAOYSA-N 2 1 330.432 1.838 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000269255322 139903460 /nfs/dbraw/zinc/90/34/60/139903460.db2.gz JLEADSKHNCPCFL-KRWDZBQOSA-N 2 1 344.459 1.441 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCOC(=O)NC(N)=O)C2)[nH+]1 ZINC000270422493 140097181 /nfs/dbraw/zinc/09/71/81/140097181.db2.gz GLJRVRMWFFEKBG-ZDUSSCGKSA-N 2 1 335.408 1.319 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCOC(=O)NC(N)=O)C2)[nH+]1 ZINC000270422493 140097182 /nfs/dbraw/zinc/09/71/82/140097182.db2.gz GLJRVRMWFFEKBG-ZDUSSCGKSA-N 2 1 335.408 1.319 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)OC)c1ccccc1 ZINC000270516791 140115490 /nfs/dbraw/zinc/11/54/90/140115490.db2.gz SBCUXCLXDUQSMS-JKSUJKDBSA-N 2 1 344.415 1.303 20 0 EDADMP CCN(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)OC)c1ccccc1 ZINC000270516791 140115492 /nfs/dbraw/zinc/11/54/92/140115492.db2.gz SBCUXCLXDUQSMS-JKSUJKDBSA-N 2 1 344.415 1.303 20 0 EDADMP CC[NH+]1CCC([NH2+]CCN(C)S(=O)(=O)c2cccs2)CC1 ZINC000271698047 140335649 /nfs/dbraw/zinc/33/56/49/140335649.db2.gz LWOZLQHPXGDMRO-UHFFFAOYSA-N 2 1 331.507 1.443 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000332096839 141122245 /nfs/dbraw/zinc/12/22/45/141122245.db2.gz AVBSJCBFASHSAC-GJZGRUSLSA-N 2 1 346.479 1.064 20 0 EDADMP Cc1cc(CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000332198405 141138861 /nfs/dbraw/zinc/13/88/61/141138861.db2.gz VNFUGIJFKHSSCN-CABCVRRESA-N 2 1 331.464 1.882 20 0 EDADMP COc1nccnc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000332206785 141140271 /nfs/dbraw/zinc/14/02/71/141140271.db2.gz SWIACFYWVJAPPE-GJZGRUSLSA-N 2 1 334.464 1.806 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N3CC[NH2+]C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000332538516 141198895 /nfs/dbraw/zinc/19/88/95/141198895.db2.gz KDWSXQZPQHWLLF-CYBMUJFWSA-N 2 1 332.452 1.066 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N3CC[NH2+][C@@H](C)[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000332540382 141199286 /nfs/dbraw/zinc/19/92/86/141199286.db2.gz KRLROZVUJBJIEC-KBPBESRZSA-N 2 1 346.479 1.454 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C[C@H]1C ZINC000333115500 141266711 /nfs/dbraw/zinc/26/67/11/141266711.db2.gz GFURFAZXVVRFAD-VYDXJSESSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000333123091 141267758 /nfs/dbraw/zinc/26/77/58/141267758.db2.gz ASXIWLVROQENRL-RBSFLKMASA-N 2 1 326.485 1.173 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CCC3(CC[NH2+]3)CC2)C[C@H](C)O1 ZINC000333323369 141299085 /nfs/dbraw/zinc/29/90/85/141299085.db2.gz UWSJWJXUDJHONH-GJZGRUSLSA-N 2 1 338.496 1.412 20 0 EDADMP Cn1ccc(N2CCC[C@@H](N3CC[C@]4(C3)CCC[N@@H+](C)C4)C2=O)n1 ZINC000339426424 142045083 /nfs/dbraw/zinc/04/50/83/142045083.db2.gz LTSSLXZMACVVTN-CRAIPNDOSA-N 2 1 331.464 1.333 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000339500269 142061274 /nfs/dbraw/zinc/06/12/74/142061274.db2.gz OMURIBNSMZSSDN-ZWKOTPCHSA-N 2 1 332.492 1.943 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1ccnn1C ZINC000339708283 142127934 /nfs/dbraw/zinc/12/79/34/142127934.db2.gz RYSPCZGPIWZHOF-SJLPKXTDSA-N 2 1 348.470 1.860 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1ccnn1C ZINC000339708283 142127936 /nfs/dbraw/zinc/12/79/36/142127936.db2.gz RYSPCZGPIWZHOF-SJLPKXTDSA-N 2 1 348.470 1.860 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1CCCCC1 ZINC000340311973 142338260 /nfs/dbraw/zinc/33/82/60/142338260.db2.gz KQGHHCXULKHKDF-SFHVURJKSA-N 2 1 339.524 1.802 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](NC(=O)NC)C2)CC1 ZINC000344931703 143028146 /nfs/dbraw/zinc/02/81/46/143028146.db2.gz LHNUWGXILRFYJQ-KRWDZBQOSA-N 2 1 345.491 1.332 20 0 EDADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000345183312 143061945 /nfs/dbraw/zinc/06/19/45/143061945.db2.gz FMNZOHCBWQDXLT-UHFFFAOYSA-N 2 1 348.422 1.857 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000345563485 143106330 /nfs/dbraw/zinc/10/63/30/143106330.db2.gz LWLWDROEARXYNI-CVEARBPZSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000345563485 143106331 /nfs/dbraw/zinc/10/63/31/143106331.db2.gz LWLWDROEARXYNI-CVEARBPZSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000345563485 143106332 /nfs/dbraw/zinc/10/63/32/143106332.db2.gz LWLWDROEARXYNI-CVEARBPZSA-N 2 1 328.501 1.205 20 0 EDADMP C[C@@H]1CN(c2ccccn2)C[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000345829948 143137651 /nfs/dbraw/zinc/13/76/51/143137651.db2.gz AOCXPVHMVTYWBW-LTIDMASMSA-N 2 1 328.460 1.897 20 0 EDADMP CC[C@H]1CN(Cc2cn(-c3cc[nH+]cc3)nc2C)CC[N@H+]1C[C@@H](C)O ZINC000346227924 143181124 /nfs/dbraw/zinc/18/11/24/143181124.db2.gz YQWIYPRNILXRIL-QAPCUYQASA-N 2 1 343.475 1.853 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346852342 143251755 /nfs/dbraw/zinc/25/17/55/143251755.db2.gz XEKCDQRODQFMTN-USXIJHARSA-N 2 1 333.480 1.124 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)Cn2cc[nH+]c2C)[N@H+](C)C1 ZINC000346869431 143253974 /nfs/dbraw/zinc/25/39/74/143253974.db2.gz WKBGEPAHOFRQMB-NUEKZKHPSA-N 2 1 337.468 1.188 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)Cn2cc[nH+]c2C)[N@@H+](C)C1 ZINC000346869431 143253975 /nfs/dbraw/zinc/25/39/75/143253975.db2.gz WKBGEPAHOFRQMB-NUEKZKHPSA-N 2 1 337.468 1.188 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1)N1CC[NH2+]CC1 ZINC000347017926 143271999 /nfs/dbraw/zinc/27/19/99/143271999.db2.gz KXXNKGZHICGHDS-LBPRGKRZSA-N 2 1 341.377 1.748 20 0 EDADMP O=C([C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1)N1CC[NH2+]CC1 ZINC000347017926 143272000 /nfs/dbraw/zinc/27/20/00/143272000.db2.gz KXXNKGZHICGHDS-LBPRGKRZSA-N 2 1 341.377 1.748 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000347028001 143273451 /nfs/dbraw/zinc/27/34/51/143273451.db2.gz VRLIIIBCRZDISC-JSGCOSHPSA-N 2 1 338.477 1.282 20 0 EDADMP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000347076880 143279802 /nfs/dbraw/zinc/27/98/02/143279802.db2.gz CUFDVBOBRVWYLA-WMZOPIPTSA-N 2 1 333.476 1.074 20 0 EDADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000347076880 143279803 /nfs/dbraw/zinc/27/98/03/143279803.db2.gz CUFDVBOBRVWYLA-WMZOPIPTSA-N 2 1 333.476 1.074 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000347164084 143289740 /nfs/dbraw/zinc/28/97/40/143289740.db2.gz PGSLLMMSDVSHIN-FUHWJXTLSA-N 2 1 348.491 1.435 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000347164084 143289741 /nfs/dbraw/zinc/28/97/41/143289741.db2.gz PGSLLMMSDVSHIN-FUHWJXTLSA-N 2 1 348.491 1.435 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000347164084 143289742 /nfs/dbraw/zinc/28/97/42/143289742.db2.gz PGSLLMMSDVSHIN-FUHWJXTLSA-N 2 1 348.491 1.435 20 0 EDADMP CC(C)[C@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000347696783 143351003 /nfs/dbraw/zinc/35/10/03/143351003.db2.gz LTQCKDUZDVPIKS-GOSISDBHSA-N 2 1 338.540 1.593 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000348009308 143390858 /nfs/dbraw/zinc/39/08/58/143390858.db2.gz XWHTVKJOTRGGQY-IRXDYDNUSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000348009308 143390859 /nfs/dbraw/zinc/39/08/59/143390859.db2.gz XWHTVKJOTRGGQY-IRXDYDNUSA-N 2 1 338.496 1.365 20 0 EDADMP COCC(C)(C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000374331717 292185567 /nfs/dbraw/zinc/18/55/67/292185567.db2.gz LRPBINMFQSHUSV-UHFFFAOYSA-N 2 1 339.524 1.972 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000416841805 304350601 /nfs/dbraw/zinc/35/06/01/304350601.db2.gz IJKJHQXIPLZNIH-DOMZBBRYSA-N 2 1 340.855 1.312 20 0 EDADMP CCc1ccc([C@H](CNC(=O)NCC(F)(F)C[NH3+])[NH+](C)C)cc1 ZINC000416846520 304351629 /nfs/dbraw/zinc/35/16/29/304351629.db2.gz UHQSIVPMYGTAMH-AWEZNQCLSA-N 2 1 328.407 1.745 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000573437987 306621130 /nfs/dbraw/zinc/62/11/30/306621130.db2.gz TXQWBOAPWGKSEG-INIZCTEOSA-N 2 1 332.404 1.179 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@H+](C)C2CC2)C[C@@H](C)O1 ZINC000352664701 149107431 /nfs/dbraw/zinc/10/74/31/149107431.db2.gz NKWFHROIIJDLMZ-ZIAGYGMSSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@@H+](C)C2CC2)C[C@@H](C)O1 ZINC000352664701 149107433 /nfs/dbraw/zinc/10/74/33/149107433.db2.gz NKWFHROIIJDLMZ-ZIAGYGMSSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000352766009 149155622 /nfs/dbraw/zinc/15/56/22/149155622.db2.gz AXNVVWOWEWNTAJ-KSZLIROESA-N 2 1 338.540 1.497 20 0 EDADMP C[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000352766009 149155627 /nfs/dbraw/zinc/15/56/27/149155627.db2.gz AXNVVWOWEWNTAJ-KSZLIROESA-N 2 1 338.540 1.497 20 0 EDADMP COCC[NH+](CCOC)C1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000353008489 149250839 /nfs/dbraw/zinc/25/08/39/149250839.db2.gz NHCCHYGSZJYLMH-DLBZAZTESA-N 2 1 328.497 1.861 20 0 EDADMP COCC[NH+](CCOC)C1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000353028913 149259379 /nfs/dbraw/zinc/25/93/79/149259379.db2.gz ONVOBOXKWHNFMI-KRWDZBQOSA-N 2 1 327.513 1.530 20 0 EDADMP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000353393112 149389609 /nfs/dbraw/zinc/38/96/09/149389609.db2.gz FUXMHTYBZXVRGT-NVXWUHKLSA-N 2 1 334.439 1.964 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000573606706 306626628 /nfs/dbraw/zinc/62/66/28/306626628.db2.gz ZYZQANOBZFUIQF-DLBZAZTESA-N 2 1 345.491 1.136 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000354910401 150025991 /nfs/dbraw/zinc/02/59/91/150025991.db2.gz VAMNOXAMEQMARN-UHFFFAOYSA-N 2 1 346.471 1.323 20 0 EDADMP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H](C)[NH+](C)Cc3ccccc3)[C@H]2C1 ZINC000355345984 150226923 /nfs/dbraw/zinc/22/69/23/150226923.db2.gz NKFXBSAHNBAOSF-NEWSRXKRSA-N 2 1 345.487 1.829 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H](C)[NH+](C)Cc3ccccc3)[C@H]2C1 ZINC000355345984 150226925 /nfs/dbraw/zinc/22/69/25/150226925.db2.gz NKFXBSAHNBAOSF-NEWSRXKRSA-N 2 1 345.487 1.829 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H](C)[N@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000355345984 150226926 /nfs/dbraw/zinc/22/69/26/150226926.db2.gz NKFXBSAHNBAOSF-NEWSRXKRSA-N 2 1 345.487 1.829 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H](C)[N@@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000355345984 150226928 /nfs/dbraw/zinc/22/69/28/150226928.db2.gz NKFXBSAHNBAOSF-NEWSRXKRSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417028777 304362193 /nfs/dbraw/zinc/36/21/93/304362193.db2.gz BUBYRXMEVSYJKC-JKSUJKDBSA-N 2 1 326.485 1.400 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000355413192 150257948 /nfs/dbraw/zinc/25/79/48/150257948.db2.gz PTDXDDOHZFIUII-ILOCAZANSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000355413192 150257951 /nfs/dbraw/zinc/25/79/51/150257951.db2.gz PTDXDDOHZFIUII-ILOCAZANSA-N 2 1 337.508 1.959 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000355587545 150326126 /nfs/dbraw/zinc/32/61/26/150326126.db2.gz ATHBPNXQVOOASH-QYZOEREBSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000355587545 150326129 /nfs/dbraw/zinc/32/61/29/150326129.db2.gz ATHBPNXQVOOASH-QYZOEREBSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355587545 150326132 /nfs/dbraw/zinc/32/61/32/150326132.db2.gz ATHBPNXQVOOASH-QYZOEREBSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355587545 150326135 /nfs/dbraw/zinc/32/61/35/150326135.db2.gz ATHBPNXQVOOASH-QYZOEREBSA-N 2 1 343.471 1.630 20 0 EDADMP CC(C)C[C@@]1(CO)CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355765950 150392462 /nfs/dbraw/zinc/39/24/62/150392462.db2.gz YSBYWAPGVOFEPC-LJQANCHMSA-N 2 1 337.508 1.602 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417042270 304365263 /nfs/dbraw/zinc/36/52/63/304365263.db2.gz NGEFLRJBMREPOE-SOLBZPMBSA-N 2 1 345.491 1.328 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000417049542 304366720 /nfs/dbraw/zinc/36/67/20/304366720.db2.gz UKSCXSDDVHRKON-CVEARBPZSA-N 2 1 326.485 1.319 20 0 EDADMP [NH3+]C1(CNC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCC1 ZINC000417051952 304366790 /nfs/dbraw/zinc/36/67/90/304366790.db2.gz OZYNMDUCPCOMPZ-UHFFFAOYSA-N 2 1 349.454 1.128 20 0 EDADMP O=C(C1CCC1)N1CCN(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000358140952 151285673 /nfs/dbraw/zinc/28/56/73/151285673.db2.gz OLLJMEYTQOWDRF-QZTJIDSGSA-N 2 1 334.508 1.147 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](CC)C1 ZINC000358290790 151327640 /nfs/dbraw/zinc/32/76/40/151327640.db2.gz IJGDBVCFIGGKSI-BRWVUGGUSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000358290790 151327642 /nfs/dbraw/zinc/32/76/42/151327642.db2.gz IJGDBVCFIGGKSI-BRWVUGGUSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000358290790 151327645 /nfs/dbraw/zinc/32/76/45/151327645.db2.gz IJGDBVCFIGGKSI-BRWVUGGUSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000417093589 304371896 /nfs/dbraw/zinc/37/18/96/304371896.db2.gz BRYSCWHVKGXSOL-YCPHGPKFSA-N 2 1 348.516 1.888 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000417093589 304371898 /nfs/dbraw/zinc/37/18/98/304371898.db2.gz BRYSCWHVKGXSOL-YCPHGPKFSA-N 2 1 348.516 1.888 20 0 EDADMP O=C(CN1CC[C@]2(CC[NH2+]C2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000360545733 152089348 /nfs/dbraw/zinc/08/93/48/152089348.db2.gz MGDOJBYUTMYXDC-FQEVSTJZSA-N 2 1 342.487 1.016 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000370129778 155339102 /nfs/dbraw/zinc/33/91/02/155339102.db2.gz NSCFPWMZBHKBAD-ULQDDVLXSA-N 2 1 347.463 1.229 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000370129778 155339106 /nfs/dbraw/zinc/33/91/06/155339106.db2.gz NSCFPWMZBHKBAD-ULQDDVLXSA-N 2 1 347.463 1.229 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1 ZINC000360734484 152175154 /nfs/dbraw/zinc/17/51/54/152175154.db2.gz OAJGGHRKDQCTBH-ZWKOTPCHSA-N 2 1 331.460 1.731 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cc1 ZINC000360734484 152175156 /nfs/dbraw/zinc/17/51/56/152175156.db2.gz OAJGGHRKDQCTBH-ZWKOTPCHSA-N 2 1 331.460 1.731 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000361017062 152280564 /nfs/dbraw/zinc/28/05/64/152280564.db2.gz LJSZUOLTIMWXFQ-UKRRQHHQSA-N 2 1 342.447 1.549 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000361017062 152280569 /nfs/dbraw/zinc/28/05/69/152280569.db2.gz LJSZUOLTIMWXFQ-UKRRQHHQSA-N 2 1 342.447 1.549 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000361111021 152308941 /nfs/dbraw/zinc/30/89/41/152308941.db2.gz IPIMQIFIYLMDEH-QZTJIDSGSA-N 2 1 346.523 1.309 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000361264647 152348317 /nfs/dbraw/zinc/34/83/17/152348317.db2.gz JJSYXJRMIPNLFA-KGLIPLIRSA-N 2 1 342.447 1.549 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1[NH3+] ZINC000417191618 304382786 /nfs/dbraw/zinc/38/27/86/304382786.db2.gz XYMQIVPRPPZPIJ-PBHICJAKSA-N 2 1 332.448 1.007 20 0 EDADMP O=C(C[C@@H]1CCC[NH2+]CC1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000364209543 153174066 /nfs/dbraw/zinc/17/40/66/153174066.db2.gz CAUAIBLHTTWCFO-MJGOQNOKSA-N 2 1 345.487 1.644 20 0 EDADMP CCC[C@H]1C[NH2+]CCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000417224046 304385595 /nfs/dbraw/zinc/38/55/95/304385595.db2.gz UHUQEKKVCWXKNE-HNNXBMFYSA-N 2 1 336.505 1.890 20 0 EDADMP CCC[C@H]1C[NH2+]CCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000417224046 304385596 /nfs/dbraw/zinc/38/55/96/304385596.db2.gz UHUQEKKVCWXKNE-HNNXBMFYSA-N 2 1 336.505 1.890 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000367085988 154004254 /nfs/dbraw/zinc/00/42/54/154004254.db2.gz ITOJYHBNMTVARL-OAHLLOKOSA-N 2 1 329.510 1.361 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000367085988 154004256 /nfs/dbraw/zinc/00/42/56/154004256.db2.gz ITOJYHBNMTVARL-OAHLLOKOSA-N 2 1 329.510 1.361 20 0 EDADMP C[C@H](O)COC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000367195498 154037086 /nfs/dbraw/zinc/03/70/86/154037086.db2.gz NCLAQOUHXODIAF-IRXDYDNUSA-N 2 1 326.481 1.889 20 0 EDADMP C[C@H](O)COC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000367195498 154037089 /nfs/dbraw/zinc/03/70/89/154037089.db2.gz NCLAQOUHXODIAF-IRXDYDNUSA-N 2 1 326.481 1.889 20 0 EDADMP CN1CCO[C@@H](C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000367201065 154039678 /nfs/dbraw/zinc/03/96/78/154039678.db2.gz QYDDWHIHRSSEFC-IEBWSBKVSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000367201065 154039681 /nfs/dbraw/zinc/03/96/81/154039681.db2.gz QYDDWHIHRSSEFC-IEBWSBKVSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000367201065 154039682 /nfs/dbraw/zinc/03/96/82/154039682.db2.gz QYDDWHIHRSSEFC-IEBWSBKVSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000367201065 154039683 /nfs/dbraw/zinc/03/96/83/154039683.db2.gz QYDDWHIHRSSEFC-IEBWSBKVSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367310524 154075180 /nfs/dbraw/zinc/07/51/80/154075180.db2.gz SSKXMAXYSIWJHP-HUUCEWRRSA-N 2 1 343.475 2.000 20 0 EDADMP C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367310524 154075182 /nfs/dbraw/zinc/07/51/82/154075182.db2.gz SSKXMAXYSIWJHP-HUUCEWRRSA-N 2 1 343.475 2.000 20 0 EDADMP Cc1[nH+]c(CNC(=O)NC2CC[NH+](C3CC3)CC2)c2n1CCCC2 ZINC000367358228 154087409 /nfs/dbraw/zinc/08/74/09/154087409.db2.gz IHEPOEVUYYYVOE-UHFFFAOYSA-N 2 1 331.464 1.954 20 0 EDADMP Cc1cnn(C)c1C[NH2+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000367532074 154164057 /nfs/dbraw/zinc/16/40/57/154164057.db2.gz XDWWTBZAXWBJHR-IBGZPJMESA-N 2 1 327.476 1.807 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC000367590629 154189124 /nfs/dbraw/zinc/18/91/24/154189124.db2.gz SSKKRDUBUFKBAX-ROUUACIJSA-N 2 1 330.476 1.984 20 0 EDADMP C[NH2+][C@H](C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1)c1cnn(C)c1 ZINC000367604267 154196943 /nfs/dbraw/zinc/19/69/43/154196943.db2.gz AHLWQLLQOUEOPX-IRXDYDNUSA-N 2 1 333.480 1.548 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H]2COCC[NH2+]2)cc1F ZINC000367651556 154214044 /nfs/dbraw/zinc/21/40/44/154214044.db2.gz SXBSXNLQCGBLCH-DOMZBBRYSA-N 2 1 346.406 1.876 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000417301890 304391302 /nfs/dbraw/zinc/39/13/02/304391302.db2.gz ZNLYKESOWDQBLF-UHFFFAOYSA-N 2 1 340.418 1.792 20 0 EDADMP COC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)o1 ZINC000369398502 155013565 /nfs/dbraw/zinc/01/35/65/155013565.db2.gz OCWIURNFDWLMMM-HNNXBMFYSA-N 2 1 335.448 1.667 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)o1 ZINC000369398502 155013568 /nfs/dbraw/zinc/01/35/68/155013568.db2.gz OCWIURNFDWLMMM-HNNXBMFYSA-N 2 1 335.448 1.667 20 0 EDADMP O=C(CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)NCCOc1ccccc1 ZINC000369599052 155104125 /nfs/dbraw/zinc/10/41/25/155104125.db2.gz GRTHEPZZSWVKPP-BHIYHBOVSA-N 2 1 343.471 1.598 20 0 EDADMP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000369598777 155104329 /nfs/dbraw/zinc/10/43/29/155104329.db2.gz CXBZEYYFKRJOPY-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP COCCN1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC000371739400 156085645 /nfs/dbraw/zinc/08/56/45/156085645.db2.gz MBHFAOWCWOACEG-MGNMYUMUSA-N 2 1 338.496 1.221 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC000371739400 156085647 /nfs/dbraw/zinc/08/56/47/156085647.db2.gz MBHFAOWCWOACEG-MGNMYUMUSA-N 2 1 338.496 1.221 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC000371739400 156085653 /nfs/dbraw/zinc/08/56/53/156085653.db2.gz MBHFAOWCWOACEG-MGNMYUMUSA-N 2 1 338.496 1.221 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC000371739400 156085659 /nfs/dbraw/zinc/08/56/59/156085659.db2.gz MBHFAOWCWOACEG-MGNMYUMUSA-N 2 1 338.496 1.221 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC000371739400 156085663 /nfs/dbraw/zinc/08/56/63/156085663.db2.gz MBHFAOWCWOACEG-MGNMYUMUSA-N 2 1 338.496 1.221 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)CC3CC[NH+](C)CC3)CC2)cn1 ZINC000371817835 156121717 /nfs/dbraw/zinc/12/17/17/156121717.db2.gz YACMTRMMYGZLAG-UHFFFAOYSA-N 2 1 333.480 1.186 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)CC3CC[NH+](C)CC3)CC2)cn1 ZINC000371817835 156121718 /nfs/dbraw/zinc/12/17/18/156121718.db2.gz YACMTRMMYGZLAG-UHFFFAOYSA-N 2 1 333.480 1.186 20 0 EDADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372055814 156227876 /nfs/dbraw/zinc/22/78/76/156227876.db2.gz VKASFVGPXSFESC-WJFTUGDTSA-N 3 1 341.540 1.822 20 0 EDADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000372055814 156227878 /nfs/dbraw/zinc/22/78/78/156227878.db2.gz VKASFVGPXSFESC-WJFTUGDTSA-N 2 1 341.540 1.822 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NCC(C)(C)CCCO)C2)CC1 ZINC000374471936 157301906 /nfs/dbraw/zinc/30/19/06/157301906.db2.gz OCPWZELQAOZQIH-OAHLLOKOSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000377963894 158040763 /nfs/dbraw/zinc/04/07/63/158040763.db2.gz YWOQMDFXKPBJPC-UHFFFAOYSA-N 2 1 334.464 1.720 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000377969204 158043565 /nfs/dbraw/zinc/04/35/65/158043565.db2.gz QLDRRIWOQIUFKJ-MRXNPFEDSA-N 2 1 336.480 1.571 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)ncn1 ZINC000377982459 158047231 /nfs/dbraw/zinc/04/72/31/158047231.db2.gz ILYLKTUOMPKKKY-GJZGRUSLSA-N 2 1 331.464 1.600 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000378116849 158083030 /nfs/dbraw/zinc/08/30/30/158083030.db2.gz CVRSBLGYCHMJAX-JYJNAYRXSA-N 2 1 326.485 1.269 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000378116849 158083031 /nfs/dbraw/zinc/08/30/31/158083031.db2.gz CVRSBLGYCHMJAX-JYJNAYRXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@]3(F)CC[NH2+]C3)c2)CCO1 ZINC000378209174 158110211 /nfs/dbraw/zinc/11/02/11/158110211.db2.gz JFSLITCJCCDTOX-KSSFIOAISA-N 2 1 335.423 1.225 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@]3(F)CC[NH2+]C3)c2)CCO1 ZINC000378209174 158110213 /nfs/dbraw/zinc/11/02/13/158110213.db2.gz JFSLITCJCCDTOX-KSSFIOAISA-N 2 1 335.423 1.225 20 0 EDADMP C[C@@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[NH+]1CCSCC1 ZINC000133228464 286780124 /nfs/dbraw/zinc/78/01/24/286780124.db2.gz VTPXTNAHGUZNDO-DOTOQJQBSA-N 2 1 335.517 1.713 20 0 EDADMP CC[N@@H+](C[C@H](C)O)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000352187863 162038019 /nfs/dbraw/zinc/03/80/19/162038019.db2.gz VHOGQTXIDUQAJA-JZXOWHBKSA-N 2 1 333.476 1.468 20 0 EDADMP CC[NH+](C[C@H](C)O)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352187863 162038024 /nfs/dbraw/zinc/03/80/24/162038024.db2.gz VHOGQTXIDUQAJA-JZXOWHBKSA-N 2 1 333.476 1.468 20 0 EDADMP CC[NH+](C[C@H](C)O)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352187863 162038025 /nfs/dbraw/zinc/03/80/25/162038025.db2.gz VHOGQTXIDUQAJA-JZXOWHBKSA-N 2 1 333.476 1.468 20 0 EDADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352421464 162174578 /nfs/dbraw/zinc/17/45/78/162174578.db2.gz CQZRWVNIWSVQNI-IRXDYDNUSA-N 2 1 344.459 1.286 20 0 EDADMP CNC(=O)NC(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352421464 162174582 /nfs/dbraw/zinc/17/45/82/162174582.db2.gz CQZRWVNIWSVQNI-IRXDYDNUSA-N 2 1 344.459 1.286 20 0 EDADMP CNC(=O)NC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352421464 162174587 /nfs/dbraw/zinc/17/45/87/162174587.db2.gz CQZRWVNIWSVQNI-IRXDYDNUSA-N 2 1 344.459 1.286 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000352524219 162230801 /nfs/dbraw/zinc/23/08/01/162230801.db2.gz ANGLDTRIBYXSRE-GOSISDBHSA-N 2 1 334.464 1.639 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000352524219 162230804 /nfs/dbraw/zinc/23/08/04/162230804.db2.gz ANGLDTRIBYXSRE-GOSISDBHSA-N 2 1 334.464 1.639 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccnc(C)n1 ZINC000073790326 287264499 /nfs/dbraw/zinc/26/44/99/287264499.db2.gz RFDQMAUCVUGYFH-KRWDZBQOSA-N 2 1 348.495 1.343 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000073897590 287265879 /nfs/dbraw/zinc/26/58/79/287265879.db2.gz XKUVJULMDJUMGF-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000078588126 287294036 /nfs/dbraw/zinc/29/40/36/287294036.db2.gz ZOIORERWABZZNM-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000371265909 287329394 /nfs/dbraw/zinc/32/93/94/287329394.db2.gz GSBCFSVRIJQKCR-QZTJIDSGSA-N 2 1 336.524 1.204 20 0 EDADMP C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000371265909 287329397 /nfs/dbraw/zinc/32/93/97/287329397.db2.gz GSBCFSVRIJQKCR-QZTJIDSGSA-N 2 1 336.524 1.204 20 0 EDADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000333303219 299000559 /nfs/dbraw/zinc/00/05/59/299000559.db2.gz QJTLDRLDXMOQMW-ARFHVFGLSA-N 2 1 327.538 1.690 20 0 EDADMP CC[C@@H]1[C@H](CO)CC[NH+]1CCOCC[N@@H+]1CC[C@H](CO)[C@H]1CC ZINC000451263391 287370120 /nfs/dbraw/zinc/37/01/20/287370120.db2.gz YXDSCLGZHMEHFC-XMTFNYHQSA-N 2 1 328.497 1.189 20 0 EDADMP CC[C@@H]1[C@H](CO)CC[N@H+]1CCOCC[NH+]1CC[C@H](CO)[C@H]1CC ZINC000451263391 287370121 /nfs/dbraw/zinc/37/01/21/287370121.db2.gz YXDSCLGZHMEHFC-XMTFNYHQSA-N 2 1 328.497 1.189 20 0 EDADMP CC[C@@H]1[C@H](CO)CC[N@@H+]1CCOCC[NH+]1CC[C@H](CO)[C@H]1CC ZINC000451263391 287370122 /nfs/dbraw/zinc/37/01/22/287370122.db2.gz YXDSCLGZHMEHFC-XMTFNYHQSA-N 2 1 328.497 1.189 20 0 EDADMP CC1(C)CN(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C(=O)O1 ZINC000124249618 287395974 /nfs/dbraw/zinc/39/59/74/287395974.db2.gz IEXTWJVOMLGTLL-UHFFFAOYSA-N 2 1 325.453 1.752 20 0 EDADMP C[C@@H]1CCC[C@](CNC(=O)NCCC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000131538659 287512180 /nfs/dbraw/zinc/51/21/80/287512180.db2.gz GSRBLELGXAHHAT-AEFFLSMTSA-N 2 1 340.512 1.518 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)[NH+](C)C ZINC000133366497 287538473 /nfs/dbraw/zinc/53/84/73/287538473.db2.gz OZSRDRNKCNJAGX-UKRRQHHQSA-N 2 1 337.489 1.509 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000274506487 268155402 /nfs/dbraw/zinc/15/54/02/268155402.db2.gz JREAFCQLVOBUON-UHFFFAOYSA-N 2 1 348.491 1.863 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000274620080 268170517 /nfs/dbraw/zinc/17/05/17/268170517.db2.gz ZGQZSFKWKATVPS-UHFFFAOYSA-N 2 1 344.503 1.600 20 0 EDADMP CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000274620080 268170519 /nfs/dbraw/zinc/17/05/19/268170519.db2.gz ZGQZSFKWKATVPS-UHFFFAOYSA-N 2 1 344.503 1.600 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000274620080 268170522 /nfs/dbraw/zinc/17/05/22/268170522.db2.gz ZGQZSFKWKATVPS-UHFFFAOYSA-N 2 1 344.503 1.600 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273062199 273026696 /nfs/dbraw/zinc/02/66/96/273026696.db2.gz JEKLJSRRPDOVCJ-HKUYNNGSSA-N 2 1 345.487 1.688 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+](CCc2cccc(F)c2)C2CC2)CC1 ZINC000275231030 268304782 /nfs/dbraw/zinc/30/47/82/268304782.db2.gz LOSFYVJLNZSPDD-UHFFFAOYSA-N 2 1 333.451 1.997 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCc2cccc(F)c2)C2CC2)CC1 ZINC000275231030 268304785 /nfs/dbraw/zinc/30/47/85/268304785.db2.gz LOSFYVJLNZSPDD-UHFFFAOYSA-N 2 1 333.451 1.997 20 0 EDADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000275313556 268321358 /nfs/dbraw/zinc/32/13/58/268321358.db2.gz RTGZWVNYZYYGHV-LJQANCHMSA-N 2 1 344.503 1.751 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000275313556 268321360 /nfs/dbraw/zinc/32/13/60/268321360.db2.gz RTGZWVNYZYYGHV-LJQANCHMSA-N 2 1 344.503 1.751 20 0 EDADMP COCC[NH+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275746493 268371386 /nfs/dbraw/zinc/37/13/86/268371386.db2.gz ZLDYVZCTUMBCMT-UHFFFAOYSA-N 2 1 334.464 1.587 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000278246902 273256725 /nfs/dbraw/zinc/25/67/25/273256725.db2.gz MDQDZQPRHVZHMW-WMLDXEAASA-N 2 1 335.448 1.710 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000284908577 274382733 /nfs/dbraw/zinc/38/27/33/274382733.db2.gz BRBAXYNVHPVPQY-IEBWSBKVSA-N 2 1 347.503 1.839 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000284908577 274382735 /nfs/dbraw/zinc/38/27/35/274382735.db2.gz BRBAXYNVHPVPQY-IEBWSBKVSA-N 2 1 347.503 1.839 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000284908577 274382737 /nfs/dbraw/zinc/38/27/37/274382737.db2.gz BRBAXYNVHPVPQY-IEBWSBKVSA-N 2 1 347.503 1.839 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC[N@@H+]1C ZINC000332237514 274393673 /nfs/dbraw/zinc/39/36/73/274393673.db2.gz SVUVIXJXGOQWJI-HACGYAERSA-N 2 1 337.489 1.784 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC[N@H+]1C ZINC000332237514 274393674 /nfs/dbraw/zinc/39/36/74/274393674.db2.gz SVUVIXJXGOQWJI-HACGYAERSA-N 2 1 337.489 1.784 20 0 EDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000285346076 274516169 /nfs/dbraw/zinc/51/61/69/274516169.db2.gz AOHAKUYTFISNDV-HIFRSBDPSA-N 2 1 340.493 1.345 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355591130 276103536 /nfs/dbraw/zinc/10/35/36/276103536.db2.gz WQMISKJADAQAFN-AEFFLSMTSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355591130 276103537 /nfs/dbraw/zinc/10/35/37/276103537.db2.gz WQMISKJADAQAFN-AEFFLSMTSA-N 2 1 333.476 1.734 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H]1CCCN(C(C)C)C1=O ZINC000344190910 276254312 /nfs/dbraw/zinc/25/43/12/276254312.db2.gz XSJXMQSJQMKXRG-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246350213 276371940 /nfs/dbraw/zinc/37/19/40/276371940.db2.gz PHJVKYWXFWUXOW-DLBZAZTESA-N 2 1 338.496 1.225 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000188982068 277168747 /nfs/dbraw/zinc/16/87/47/277168747.db2.gz HQOYSYXUZSPRKQ-RDJZCZTQSA-N 2 1 325.416 1.231 20 0 EDADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000286477165 288015537 /nfs/dbraw/zinc/01/55/37/288015537.db2.gz LGCYDTUWXOBBDQ-JKSUJKDBSA-N 2 1 348.491 1.080 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000352090608 279112217 /nfs/dbraw/zinc/11/22/17/279112217.db2.gz ASHLTMIGRDZYHF-INIZCTEOSA-N 2 1 333.542 1.758 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000351595465 279124244 /nfs/dbraw/zinc/12/42/44/279124244.db2.gz PTVUYHVMPUKHQY-HRCADAONSA-N 2 1 328.501 1.059 20 0 EDADMP CC(C)C[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[NH+]1CCOCC1 ZINC000345717248 279158969 /nfs/dbraw/zinc/15/89/69/279158969.db2.gz NPQKYURNBBHTIL-SOLBZPMBSA-N 2 1 325.497 1.757 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)c1ccsc1 ZINC000246898856 279163744 /nfs/dbraw/zinc/16/37/44/279163744.db2.gz HPUHCNMYPIUYQK-CVEARBPZSA-N 2 1 339.505 1.968 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)c1ccsc1 ZINC000246898856 279163748 /nfs/dbraw/zinc/16/37/48/279163748.db2.gz HPUHCNMYPIUYQK-CVEARBPZSA-N 2 1 339.505 1.968 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000377103331 279293892 /nfs/dbraw/zinc/29/38/92/279293892.db2.gz MMSDNGGHTYOQMW-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000377103331 279293893 /nfs/dbraw/zinc/29/38/93/279293893.db2.gz MMSDNGGHTYOQMW-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000377103331 279293894 /nfs/dbraw/zinc/29/38/94/279293894.db2.gz MMSDNGGHTYOQMW-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365681327 279314192 /nfs/dbraw/zinc/31/41/92/279314192.db2.gz WVKIPLCOADVQHR-QGZVFWFLSA-N 2 1 333.480 1.583 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000358128973 279363157 /nfs/dbraw/zinc/36/31/57/279363157.db2.gz DHQSLSSBHOOJHI-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000353072249 279387444 /nfs/dbraw/zinc/38/74/44/279387444.db2.gz BMLCCBAUHIVUOP-ROUUACIJSA-N 2 1 337.508 1.822 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000353072249 279387448 /nfs/dbraw/zinc/38/74/48/279387448.db2.gz BMLCCBAUHIVUOP-ROUUACIJSA-N 2 1 337.508 1.822 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000417024710 279622222 /nfs/dbraw/zinc/62/22/22/279622222.db2.gz MLWYXCJJRPHOAH-AWEZNQCLSA-N 2 1 326.391 1.717 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)CC[N@H+]1C[C@H](C)O ZINC000360134064 280357610 /nfs/dbraw/zinc/35/76/10/280357610.db2.gz FKYNZEZKTFQWTJ-HRCADAONSA-N 2 1 328.501 1.202 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC[NH+]1C[C@H](C)O ZINC000360134064 280357612 /nfs/dbraw/zinc/35/76/12/280357612.db2.gz FKYNZEZKTFQWTJ-HRCADAONSA-N 2 1 328.501 1.202 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC[NH+]1C[C@H](C)O ZINC000360134064 280357613 /nfs/dbraw/zinc/35/76/13/280357613.db2.gz FKYNZEZKTFQWTJ-HRCADAONSA-N 2 1 328.501 1.202 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000287411540 288232053 /nfs/dbraw/zinc/23/20/53/288232053.db2.gz XIWPDTQTQUAKKJ-XYJFISCASA-N 2 1 348.491 1.386 20 0 EDADMP CCN(C[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C1)CC(F)(F)F ZINC000659981968 452891548 /nfs/dbraw/zinc/89/15/48/452891548.db2.gz BAJYJOKBVLDAPO-GJZGRUSLSA-N 2 1 339.446 1.894 20 0 EDADMP CCN(C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1)CC(F)(F)F ZINC000659981968 452891568 /nfs/dbraw/zinc/89/15/68/452891568.db2.gz BAJYJOKBVLDAPO-GJZGRUSLSA-N 2 1 339.446 1.894 20 0 EDADMP CCN(C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1)CC(F)(F)F ZINC000659981968 452891576 /nfs/dbraw/zinc/89/15/76/452891576.db2.gz BAJYJOKBVLDAPO-GJZGRUSLSA-N 2 1 339.446 1.894 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H](C)C[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000287583347 288270923 /nfs/dbraw/zinc/27/09/23/288270923.db2.gz KSHKPICRCUQKND-ZDUSSCGKSA-N 2 1 334.468 1.312 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000288086115 288399937 /nfs/dbraw/zinc/39/99/37/288399937.db2.gz HDECZAMJFWEWHG-UHFFFAOYSA-N 2 1 348.491 1.213 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)C2 ZINC000291153236 289009389 /nfs/dbraw/zinc/00/93/89/289009389.db2.gz XPJGEHVHYYRQKL-AWEZNQCLSA-N 2 1 343.431 1.116 20 0 EDADMP C[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000292022903 289241284 /nfs/dbraw/zinc/24/12/84/289241284.db2.gz FRDOUBOQNNSCIF-ROUUACIJSA-N 2 1 344.503 1.846 20 0 EDADMP C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000292415011 289340932 /nfs/dbraw/zinc/34/09/32/289340932.db2.gz MHEMMNNSVHHXKH-LPHOPBHVSA-N 2 1 345.487 1.744 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ccccc2)CC1 ZINC000292590024 289389399 /nfs/dbraw/zinc/38/93/99/289389399.db2.gz VVLFLNFQIXPNNA-FHWLQOOXSA-N 2 1 342.487 1.186 20 0 EDADMP CN(C(=O)[C@@]1([NH+](C)C)CCOc2ccccc21)C1CC[NH+](C)CC1 ZINC000369087685 289395894 /nfs/dbraw/zinc/39/58/94/289395894.db2.gz LESKUUDFOLTCNA-LJQANCHMSA-N 2 1 331.460 1.779 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360737853 289398987 /nfs/dbraw/zinc/39/89/87/289398987.db2.gz NNMLNZQSMCMMGN-ZBFHGGJFSA-N 2 1 328.526 1.407 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnn(C)c2C(F)(F)F)CC1 ZINC000336878617 290085108 /nfs/dbraw/zinc/08/51/08/290085108.db2.gz GZNCJJXAGWBPCH-LBPRGKRZSA-N 2 1 348.413 1.964 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000247450466 297030001 /nfs/dbraw/zinc/03/00/01/297030001.db2.gz ZFFSNZCNPSHACU-RKVPGOIHSA-N 2 1 331.460 1.730 20 0 EDADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000420037516 304731960 /nfs/dbraw/zinc/73/19/60/304731960.db2.gz JUYNAMLGSDSOCC-DOTOQJQBSA-N 2 1 341.883 1.762 20 0 EDADMP COCCOc1cc2c(cc1C[N@@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)OCO2 ZINC000414768898 447325114 /nfs/dbraw/zinc/32/51/14/447325114.db2.gz MPMXTWZJVZWVSA-GASCZTMLSA-N 2 1 348.443 1.872 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295245437 303193677 /nfs/dbraw/zinc/19/36/77/303193677.db2.gz PVTJMRPCMMKYRM-RYQLBKOJSA-N 2 1 345.487 1.923 20 0 EDADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000295990411 303287531 /nfs/dbraw/zinc/28/75/31/303287531.db2.gz OYBOXGILAULIRX-GDBMZVCRSA-N 2 1 344.459 1.802 20 0 EDADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000295990411 303287532 /nfs/dbraw/zinc/28/75/32/303287532.db2.gz OYBOXGILAULIRX-GDBMZVCRSA-N 2 1 344.459 1.802 20 0 EDADMP C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298352175 303518240 /nfs/dbraw/zinc/51/82/40/303518240.db2.gz JVIHFPGRHNBYFE-KRWDZBQOSA-N 2 1 343.519 1.809 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000414856601 447329995 /nfs/dbraw/zinc/32/99/95/447329995.db2.gz ONDWHNBFMMSCMX-GASCZTMLSA-N 2 1 346.475 1.724 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662745589 453474475 /nfs/dbraw/zinc/47/44/75/453474475.db2.gz JTIOKMZLHGLRFQ-SMDDNHRTSA-N 2 1 340.265 1.907 20 0 EDADMP CCOc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000414888167 447344802 /nfs/dbraw/zinc/34/48/02/447344802.db2.gz JVTKQGWGTLDQDL-CZUORRHYSA-N 2 1 349.475 1.768 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)CC3(C[NH3+])CC3)c2)CC1 ZINC000423440849 304896329 /nfs/dbraw/zinc/89/63/29/304896329.db2.gz XPONXNGJSDNRMT-UHFFFAOYSA-N 2 1 344.459 1.071 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000428998315 305021966 /nfs/dbraw/zinc/02/19/66/305021966.db2.gz DLXORKZXANKSOM-ZJPYXAASSA-N 2 1 336.524 1.201 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000428998315 305021967 /nfs/dbraw/zinc/02/19/67/305021967.db2.gz DLXORKZXANKSOM-ZJPYXAASSA-N 2 1 336.524 1.201 20 0 EDADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430573715 305056638 /nfs/dbraw/zinc/05/66/38/305056638.db2.gz MPSAOKCFBKTRMI-KRWDZBQOSA-N 2 1 334.439 1.288 20 0 EDADMP [NH3+]C[C@@H]1CCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430573715 305056639 /nfs/dbraw/zinc/05/66/39/305056639.db2.gz MPSAOKCFBKTRMI-KRWDZBQOSA-N 2 1 334.439 1.288 20 0 EDADMP CCCCc1noc([C@H](C)[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430618349 305059346 /nfs/dbraw/zinc/05/93/46/305059346.db2.gz SUMOTUFBJIWEPM-LSDHHAIUSA-N 2 1 349.479 1.617 20 0 EDADMP CCCCc1noc([C@H](C)[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430618349 305059347 /nfs/dbraw/zinc/05/93/47/305059347.db2.gz SUMOTUFBJIWEPM-LSDHHAIUSA-N 2 1 349.479 1.617 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3C[C@@H](C)[NH2+][C@H](C)C3)CC2)c1 ZINC000430950926 305070337 /nfs/dbraw/zinc/07/03/37/305070337.db2.gz SREXNIKGECDRBM-QZTJIDSGSA-N 2 1 344.503 1.321 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)c1 ZINC000430950925 305070384 /nfs/dbraw/zinc/07/03/84/305070384.db2.gz SREXNIKGECDRBM-HDICACEKSA-N 2 1 344.503 1.321 20 0 EDADMP C[NH2+]CC1CC[NH+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC1 ZINC000430950818 305070445 /nfs/dbraw/zinc/07/04/45/305070445.db2.gz JBXTZQNIILVDGQ-UHFFFAOYSA-N 2 1 344.459 1.682 20 0 EDADMP CCN(C(=O)COC1C[NH2+]C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000431033518 305073220 /nfs/dbraw/zinc/07/32/20/305073220.db2.gz IJXONDHOBXOSLZ-NVXWUHKLSA-N 2 1 331.460 1.659 20 0 EDADMP CCN(C(=O)COC1C[NH2+]C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000431033519 305073287 /nfs/dbraw/zinc/07/32/87/305073287.db2.gz IJXONDHOBXOSLZ-RDJZCZTQSA-N 2 1 331.460 1.659 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CC[C@H]3CCOC3)c2)C1 ZINC000438193820 305182938 /nfs/dbraw/zinc/18/29/38/305182938.db2.gz XPEGJAVCXDFFEY-QFBILLFUSA-N 2 1 345.487 1.900 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@]3(O)CCCC(C)(C)C3)cn2)CC1 ZINC000438324536 305184803 /nfs/dbraw/zinc/18/48/03/305184803.db2.gz HDVMAXONPLLWOB-LJQANCHMSA-N 2 1 347.507 1.649 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC[N@H+]1C ZINC000438888588 305190542 /nfs/dbraw/zinc/19/05/42/305190542.db2.gz DGONPEJXQIPNNH-KMFMINBZSA-N 2 1 328.460 1.979 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC000440988296 305215905 /nfs/dbraw/zinc/21/59/05/305215905.db2.gz QPTBAEYLANGUTH-CVEARBPZSA-N 2 1 339.528 1.137 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C ZINC000440988296 305215906 /nfs/dbraw/zinc/21/59/06/305215906.db2.gz QPTBAEYLANGUTH-CVEARBPZSA-N 2 1 339.528 1.137 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C ZINC000440988296 305215907 /nfs/dbraw/zinc/21/59/07/305215907.db2.gz QPTBAEYLANGUTH-CVEARBPZSA-N 2 1 339.528 1.137 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000444548779 305250349 /nfs/dbraw/zinc/25/03/49/305250349.db2.gz KQJVUQBIZRIIPJ-IRXDYDNUSA-N 2 1 339.524 1.801 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000444548779 305250350 /nfs/dbraw/zinc/25/03/50/305250350.db2.gz KQJVUQBIZRIIPJ-IRXDYDNUSA-N 2 1 339.524 1.801 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445973191 305260624 /nfs/dbraw/zinc/26/06/24/305260624.db2.gz BSETYVLDFILLLW-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H]1CC[C@](CO)([NH+](C)C[C@@H](O)C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)C1 ZINC000447264493 305276737 /nfs/dbraw/zinc/27/67/37/305276737.db2.gz BPWALZZEGAEJMB-DQCOHUIHSA-N 2 1 342.524 1.313 20 0 EDADMP C[C@@H]1CC[C@](CO)([N@@H+](C)C[C@@H](O)C[NH+](C)[C@]2(CO)CC[C@H](C)C2)C1 ZINC000447264493 305276738 /nfs/dbraw/zinc/27/67/38/305276738.db2.gz BPWALZZEGAEJMB-DQCOHUIHSA-N 2 1 342.524 1.313 20 0 EDADMP C[C@@H]1CC[C@](CO)([N@H+](C)C[C@@H](O)C[NH+](C)[C@]2(CO)CC[C@H](C)C2)C1 ZINC000447264493 305276739 /nfs/dbraw/zinc/27/67/39/305276739.db2.gz BPWALZZEGAEJMB-DQCOHUIHSA-N 2 1 342.524 1.313 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@H](C)O1 ZINC000449319054 305311316 /nfs/dbraw/zinc/31/13/16/305311316.db2.gz XQYXXZRAEQAJQF-XUWVNRHRSA-N 2 1 325.497 1.898 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@H](C)O1 ZINC000449319054 305311317 /nfs/dbraw/zinc/31/13/17/305311317.db2.gz XQYXXZRAEQAJQF-XUWVNRHRSA-N 2 1 325.497 1.898 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)n1C ZINC000449351451 305312326 /nfs/dbraw/zinc/31/23/26/305312326.db2.gz PMSJTAWDBXQRSB-GOSISDBHSA-N 2 1 327.432 1.034 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000377775190 447349745 /nfs/dbraw/zinc/34/97/45/447349745.db2.gz LHQLYOHNBLSVIM-FGTMMUONSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000451469376 305348369 /nfs/dbraw/zinc/34/83/69/305348369.db2.gz MGULHEBTLUPGMM-IRXDYDNUSA-N 2 1 337.508 1.772 20 0 EDADMP CC[C@@](C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529794 305351519 /nfs/dbraw/zinc/35/15/19/305351519.db2.gz NYYNSXJRKDCMIJ-QZTJIDSGSA-N 2 1 325.497 1.414 20 0 EDADMP CC[C@@](C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529794 305351520 /nfs/dbraw/zinc/35/15/20/305351520.db2.gz NYYNSXJRKDCMIJ-QZTJIDSGSA-N 2 1 325.497 1.414 20 0 EDADMP CC[C@@](C)(O)C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529794 305351521 /nfs/dbraw/zinc/35/15/21/305351521.db2.gz NYYNSXJRKDCMIJ-QZTJIDSGSA-N 2 1 325.497 1.414 20 0 EDADMP CC[C@@](C)(O)C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529794 305351522 /nfs/dbraw/zinc/35/15/22/305351522.db2.gz NYYNSXJRKDCMIJ-QZTJIDSGSA-N 2 1 325.497 1.414 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000452361301 305392609 /nfs/dbraw/zinc/39/26/09/305392609.db2.gz JWZLIRXUOJEQKX-ROUUACIJSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000452361301 305392610 /nfs/dbraw/zinc/39/26/10/305392610.db2.gz JWZLIRXUOJEQKX-ROUUACIJSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000452361301 305392611 /nfs/dbraw/zinc/39/26/11/305392611.db2.gz JWZLIRXUOJEQKX-ROUUACIJSA-N 2 1 337.508 1.747 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414913660 447354471 /nfs/dbraw/zinc/35/44/71/447354471.db2.gz WLORUQKDPIUHKY-GJZGRUSLSA-N 2 1 346.475 1.835 20 0 EDADMP C[C@@]1(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000514824451 305706626 /nfs/dbraw/zinc/70/66/26/305706626.db2.gz KCLMBFFEVKTOPG-SJLPKXTDSA-N 2 1 338.496 1.272 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000377808041 447366485 /nfs/dbraw/zinc/36/64/85/447366485.db2.gz CVVYZPWUMFVGSL-BZZMCLGOSA-N 2 1 345.491 1.953 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000377808041 447366489 /nfs/dbraw/zinc/36/64/89/447366489.db2.gz CVVYZPWUMFVGSL-BZZMCLGOSA-N 2 1 345.491 1.953 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(C)nn3)C2)CC1 ZINC000539076600 306034235 /nfs/dbraw/zinc/03/42/35/306034235.db2.gz DUNKAKRVFOKNQG-KRWDZBQOSA-N 2 1 333.480 1.454 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000543706122 306067285 /nfs/dbraw/zinc/06/72/85/306067285.db2.gz FAEHIKAYVNQDQX-IRXDYDNUSA-N 2 1 349.479 1.259 20 0 EDADMP C[C@H](Cn1cccn1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000546006425 306089573 /nfs/dbraw/zinc/08/95/73/306089573.db2.gz ITQCZCCBLYTKKM-HZPDHXFCSA-N 2 1 333.505 1.911 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000553651428 306187072 /nfs/dbraw/zinc/18/70/72/306187072.db2.gz PWNPCFOZMVJMSE-SYJJWHGVSA-N 2 1 336.480 1.609 20 0 EDADMP O=C(NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000555612899 306203950 /nfs/dbraw/zinc/20/39/50/306203950.db2.gz NBKVXPGBDYMTMZ-QUCCMNQESA-N 2 1 343.471 1.366 20 0 EDADMP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000555612899 306203951 /nfs/dbraw/zinc/20/39/51/306203951.db2.gz NBKVXPGBDYMTMZ-QUCCMNQESA-N 2 1 343.471 1.366 20 0 EDADMP O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000555612899 306203952 /nfs/dbraw/zinc/20/39/52/306203952.db2.gz NBKVXPGBDYMTMZ-QUCCMNQESA-N 2 1 343.471 1.366 20 0 EDADMP Cc1ccccc1[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000556942839 306221646 /nfs/dbraw/zinc/22/16/46/306221646.db2.gz HNIMTDAFEVPRBN-AEFFLSMTSA-N 2 1 331.460 1.566 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000414985029 447385436 /nfs/dbraw/zinc/38/54/36/447385436.db2.gz MSDLBSXIKJIMSI-WMLDXEAASA-N 2 1 346.475 1.978 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1([NH+](C)C)CCCSC1 ZINC000378269394 447412214 /nfs/dbraw/zinc/41/22/14/447412214.db2.gz GQTDDEIDRGAKRY-ZBFHGGJFSA-N 2 1 329.510 1.041 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000098030512 441147966 /nfs/dbraw/zinc/14/79/66/441147966.db2.gz MCKBZSXQYFXYLN-JKSUJKDBSA-N 2 1 328.501 1.374 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000098030512 441147968 /nfs/dbraw/zinc/14/79/68/441147968.db2.gz MCKBZSXQYFXYLN-JKSUJKDBSA-N 2 1 328.501 1.374 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000098030512 441147972 /nfs/dbraw/zinc/14/79/72/441147972.db2.gz MCKBZSXQYFXYLN-JKSUJKDBSA-N 2 1 328.501 1.374 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000105477055 441256578 /nfs/dbraw/zinc/25/65/78/441256578.db2.gz MXUDRFQNUCEHJA-UHFFFAOYSA-N 3 1 327.476 1.990 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000072828747 441264240 /nfs/dbraw/zinc/26/42/40/441264240.db2.gz QFTULMPCKMIPME-GOSISDBHSA-N 2 1 331.460 1.619 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000072828747 441264242 /nfs/dbraw/zinc/26/42/42/441264242.db2.gz QFTULMPCKMIPME-GOSISDBHSA-N 2 1 331.460 1.619 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000020939867 441267850 /nfs/dbraw/zinc/26/78/50/441267850.db2.gz WHZBZZVPVDSAOT-GOSISDBHSA-N 2 1 330.476 1.015 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000081996881 441330040 /nfs/dbraw/zinc/33/00/40/441330040.db2.gz AKBYXGXNBFCXJJ-SJLPKXTDSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000073621948 441334328 /nfs/dbraw/zinc/33/43/28/441334328.db2.gz YNRCWTMMWMXQSE-KRWDZBQOSA-N 2 1 348.491 1.911 20 0 EDADMP CC[NH+]1CCC(NC(=O)CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000081633497 441298490 /nfs/dbraw/zinc/29/84/90/441298490.db2.gz DUEKGPLXJQCSPR-QGZVFWFLSA-N 2 1 336.524 1.251 20 0 EDADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876063 441304290 /nfs/dbraw/zinc/30/42/90/441304290.db2.gz KCBPHQRPPSNDQC-CYBMUJFWSA-N 2 1 349.479 1.687 20 0 EDADMP C[C@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000085358741 441433487 /nfs/dbraw/zinc/43/34/87/441433487.db2.gz AMVGXUNUALRWGP-XHSDSOJGSA-N 2 1 342.528 1.761 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108301244 441441797 /nfs/dbraw/zinc/44/17/97/441441797.db2.gz MPMOUDQSIKUBMU-INIZCTEOSA-N 2 1 331.460 1.841 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000111511186 441536882 /nfs/dbraw/zinc/53/68/82/441536882.db2.gz MTBWVNQMYBVTEL-KRWDZBQOSA-N 2 1 331.464 1.788 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)ccn2)CC1 ZINC000112296483 441547208 /nfs/dbraw/zinc/54/72/08/441547208.db2.gz RBZDAKAYHPYHSK-KRWDZBQOSA-N 2 1 343.475 1.048 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000066175456 441509041 /nfs/dbraw/zinc/50/90/41/441509041.db2.gz FKQHPAYZHUYWCY-IRXDYDNUSA-N 2 1 338.496 1.223 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc(F)cc1 ZINC000137057909 441742787 /nfs/dbraw/zinc/74/27/87/441742787.db2.gz FQUWJOVEMATHHT-CVEARBPZSA-N 2 1 339.480 1.982 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)nc(C)[nH+]1 ZINC000137267580 441760599 /nfs/dbraw/zinc/76/05/99/441760599.db2.gz DQWQXGBPYIIHCD-INIZCTEOSA-N 2 1 343.475 1.568 20 0 EDADMP Cc1ccnc(N2CCN(C(=O)NC[C@H](C)[N@@H+](C)C3CC3)CC2)c1 ZINC000138953414 441801284 /nfs/dbraw/zinc/80/12/84/441801284.db2.gz HYYKBJMUOHOSMD-HNNXBMFYSA-N 2 1 331.464 1.704 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@H](C)[N@H+](C)C3CC3)CC2)c1 ZINC000138953414 441801290 /nfs/dbraw/zinc/80/12/90/441801290.db2.gz HYYKBJMUOHOSMD-HNNXBMFYSA-N 2 1 331.464 1.704 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000068514940 441810636 /nfs/dbraw/zinc/81/06/36/441810636.db2.gz JCNDVMYJYZMYIW-MJGOQNOKSA-N 2 1 346.519 1.822 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000068591699 441828223 /nfs/dbraw/zinc/82/82/23/441828223.db2.gz BPWZYJQRAPOCRM-GJZGRUSLSA-N 2 1 326.485 1.221 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000116732418 441838415 /nfs/dbraw/zinc/83/84/15/441838415.db2.gz YIWIXEONHXQXDW-GOSISDBHSA-N 2 1 344.503 1.657 20 0 EDADMP CC[C@@H](NC(=O)Cn1ccnc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123869009 441901863 /nfs/dbraw/zinc/90/18/63/441901863.db2.gz OCMHZXVMWWTSNU-QZTJIDSGSA-N 2 1 342.443 1.679 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000174038688 441881731 /nfs/dbraw/zinc/88/17/31/441881731.db2.gz LEEUQAZTEGYNBL-UHFFFAOYSA-N 2 1 348.491 1.592 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000174181665 441899204 /nfs/dbraw/zinc/89/92/04/441899204.db2.gz QVEJRSFPEHINIB-SFHVURJKSA-N 2 1 344.503 1.657 20 0 EDADMP C[NH+](C)CC1(CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CCCC1 ZINC000458664441 447445242 /nfs/dbraw/zinc/44/52/42/447445242.db2.gz QBAIJHZSRNOAJT-INIZCTEOSA-N 2 1 340.512 1.254 20 0 EDADMP C[C@H]1OCC[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000120338477 442051546 /nfs/dbraw/zinc/05/15/46/442051546.db2.gz UQMWDQXHNHUBLL-CRAIPNDOSA-N 2 1 347.459 1.614 20 0 EDADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)C1=O ZINC000151578151 442087719 /nfs/dbraw/zinc/08/77/19/442087719.db2.gz WCPIKRCIMKVONE-CABCVRRESA-N 2 1 340.427 1.910 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CC)C2)[C@@H](C)C1 ZINC000126475348 442115151 /nfs/dbraw/zinc/11/51/51/442115151.db2.gz AZVCGGJHXRXMNN-BBWFWOEESA-N 2 1 325.497 1.724 20 0 EDADMP O[C@@H](COC1CCOCC1)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000120872826 442145234 /nfs/dbraw/zinc/14/52/34/442145234.db2.gz ZQNXCPVSCQQABV-QGZVFWFLSA-N 2 1 326.481 1.540 20 0 EDADMP COc1cccc(CCC[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000162559221 442102464 /nfs/dbraw/zinc/10/24/64/442102464.db2.gz PAEJCUVZLHHDNU-LJQANCHMSA-N 2 1 345.487 1.866 20 0 EDADMP COc1cccc(CCC[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000162559221 442102468 /nfs/dbraw/zinc/10/24/68/442102468.db2.gz PAEJCUVZLHHDNU-LJQANCHMSA-N 2 1 345.487 1.866 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000121411372 442213411 /nfs/dbraw/zinc/21/34/11/442213411.db2.gz BPVWTMZEWDCKLI-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](CCO)C(C)C)CC2)cc1 ZINC000176364355 442214677 /nfs/dbraw/zinc/21/46/77/442214677.db2.gz WTCILKYVNPXILD-UHFFFAOYSA-N 2 1 347.503 1.732 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CCO)C(C)C)CC2)cc1 ZINC000176364355 442214678 /nfs/dbraw/zinc/21/46/78/442214678.db2.gz WTCILKYVNPXILD-UHFFFAOYSA-N 2 1 347.503 1.732 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](CCO)C(C)C)CC2)cc1 ZINC000176364355 442214679 /nfs/dbraw/zinc/21/46/79/442214679.db2.gz WTCILKYVNPXILD-UHFFFAOYSA-N 2 1 347.503 1.732 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CSCN3)c2)C[C@@H](C)O1 ZINC000169195535 442226108 /nfs/dbraw/zinc/22/61/08/442226108.db2.gz SRADQLJUZWQSNH-XJKCOSOUSA-N 2 1 335.473 1.897 20 0 EDADMP C[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000171676674 442369595 /nfs/dbraw/zinc/36/95/95/442369595.db2.gz AZVQNXDZSBLSIU-KRWDZBQOSA-N 2 1 325.497 1.727 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000177725559 442376751 /nfs/dbraw/zinc/37/67/51/442376751.db2.gz CRBBXRGPJHGBCR-DLBZAZTESA-N 2 1 336.524 1.393 20 0 EDADMP CC[N@H+]1CC[C@@H](NCCS(=O)(=O)NCc2ccccc2)[C@H](C)C1 ZINC000177769688 442382184 /nfs/dbraw/zinc/38/21/84/442382184.db2.gz QDWQTLYTWANQAJ-NVXWUHKLSA-N 2 1 339.505 1.426 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)[C@H](C)C1 ZINC000177769688 442382187 /nfs/dbraw/zinc/38/21/87/442382187.db2.gz QDWQTLYTWANQAJ-NVXWUHKLSA-N 2 1 339.505 1.426 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000130798370 442356888 /nfs/dbraw/zinc/35/68/88/442356888.db2.gz WNDXLNJSAOCSTQ-QGZVFWFLSA-N 2 1 340.512 1.328 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000130798370 442356890 /nfs/dbraw/zinc/35/68/90/442356890.db2.gz WNDXLNJSAOCSTQ-QGZVFWFLSA-N 2 1 340.512 1.328 20 0 EDADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178214538 442415552 /nfs/dbraw/zinc/41/55/52/442415552.db2.gz DXCRVQGOZSZNOT-IRXDYDNUSA-N 2 1 336.524 1.393 20 0 EDADMP OCC[C@H]1CCCC[NH+]1CCOCC[N@@H+]1CCCC[C@@H]1CCO ZINC000178696901 442458431 /nfs/dbraw/zinc/45/84/31/442458431.db2.gz PCQGVVHZEPHXKB-QZTJIDSGSA-N 2 1 328.497 1.477 20 0 EDADMP O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000178876760 442510897 /nfs/dbraw/zinc/51/08/97/442510897.db2.gz RXXMHFDGSUWAMY-LJQANCHMSA-N 2 1 344.503 1.310 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)CCCC(=O)NC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000172575066 442494789 /nfs/dbraw/zinc/49/47/89/442494789.db2.gz LYNBUTCTLFXHNB-RDJZCZTQSA-N 2 1 346.475 1.946 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)CCCC(=O)NC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000172575066 442494790 /nfs/dbraw/zinc/49/47/90/442494790.db2.gz LYNBUTCTLFXHNB-RDJZCZTQSA-N 2 1 346.475 1.946 20 0 EDADMP C[C@H]1C[C@@H]([N@H+](C)CCCC(=O)NC(N)=O)CC[NH+]1Cc1ccccc1 ZINC000172575066 442494792 /nfs/dbraw/zinc/49/47/92/442494792.db2.gz LYNBUTCTLFXHNB-RDJZCZTQSA-N 2 1 346.475 1.946 20 0 EDADMP C[C@H]1C[C@@H]([N@@H+](C)CCCC(=O)NC(N)=O)CC[NH+]1Cc1ccccc1 ZINC000172575066 442494793 /nfs/dbraw/zinc/49/47/93/442494793.db2.gz LYNBUTCTLFXHNB-RDJZCZTQSA-N 2 1 346.475 1.946 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000178856674 442504946 /nfs/dbraw/zinc/50/49/46/442504946.db2.gz SWSKSFAPFJGEDB-SOLBZPMBSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@@H+](CCNC(=O)NCCCN1CCOCC1)C1CCCCC1 ZINC000157402828 442580370 /nfs/dbraw/zinc/58/03/70/442580370.db2.gz SATSOVKMIIIDTI-UHFFFAOYSA-N 2 1 326.485 1.272 20 0 EDADMP C[N@H+](CCNC(=O)NCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000157402828 442580374 /nfs/dbraw/zinc/58/03/74/442580374.db2.gz SATSOVKMIIIDTI-UHFFFAOYSA-N 2 1 326.485 1.272 20 0 EDADMP C[N@@H+](CCNC(=O)NCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000157402828 442580380 /nfs/dbraw/zinc/58/03/80/442580380.db2.gz SATSOVKMIIIDTI-UHFFFAOYSA-N 2 1 326.485 1.272 20 0 EDADMP CC[NH+](CC)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000180470631 442607277 /nfs/dbraw/zinc/60/72/77/442607277.db2.gz ZMERWDJUOOHRIV-GOSISDBHSA-N 2 1 333.476 1.601 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000192359280 442639217 /nfs/dbraw/zinc/63/92/17/442639217.db2.gz KBIAGDZCMFFYNC-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NCC(=O)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000187012127 442644954 /nfs/dbraw/zinc/64/49/54/442644954.db2.gz FAILNAPYPNXBGM-RCCFBDPRSA-N 2 1 339.524 1.972 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000187012127 442644964 /nfs/dbraw/zinc/64/49/64/442644964.db2.gz FAILNAPYPNXBGM-RCCFBDPRSA-N 2 1 339.524 1.972 20 0 EDADMP C[N@H+]1C[C@H]2CN(C(=O)C[C@H]3C[NH+](Cc4ccccc4)CCO3)C[C@H]2C1 ZINC000192464713 442649493 /nfs/dbraw/zinc/64/94/93/442649493.db2.gz XFUGNXXZUPIXSU-OTWHNJEPSA-N 2 1 343.471 1.298 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3C[NH+](Cc4ccccc4)CCO3)C[C@H]2C1 ZINC000192464713 442649496 /nfs/dbraw/zinc/64/94/96/442649496.db2.gz XFUGNXXZUPIXSU-OTWHNJEPSA-N 2 1 343.471 1.298 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)C[C@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@H]2C1 ZINC000192464713 442649498 /nfs/dbraw/zinc/64/94/98/442649498.db2.gz XFUGNXXZUPIXSU-OTWHNJEPSA-N 2 1 343.471 1.298 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@H]2C1 ZINC000192464713 442649501 /nfs/dbraw/zinc/64/95/01/442649501.db2.gz XFUGNXXZUPIXSU-OTWHNJEPSA-N 2 1 343.471 1.298 20 0 EDADMP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000186915915 442629733 /nfs/dbraw/zinc/62/97/33/442629733.db2.gz XIHTXCSANMJRLJ-IRXDYDNUSA-N 2 1 340.512 1.376 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000192747902 442683106 /nfs/dbraw/zinc/68/31/06/442683106.db2.gz JWTQJXKDOBTJIW-LJQANCHMSA-N 2 1 338.540 1.199 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000192537709 442659961 /nfs/dbraw/zinc/65/99/61/442659961.db2.gz RXDJPZOYWZFNKR-QRVBRYPASA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000192537709 442659963 /nfs/dbraw/zinc/65/99/63/442659963.db2.gz RXDJPZOYWZFNKR-QRVBRYPASA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000192537709 442659965 /nfs/dbraw/zinc/65/99/65/442659965.db2.gz RXDJPZOYWZFNKR-QRVBRYPASA-N 2 1 327.472 1.919 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC3(C)CC[NH2+]CC3)cc2F)CC1 ZINC000193356383 442735500 /nfs/dbraw/zinc/73/55/00/442735500.db2.gz VBDHYOFVIZCGJM-UHFFFAOYSA-N 2 1 348.466 1.840 20 0 EDADMP C[C@H](CCNC(=O)CCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000182249088 442749451 /nfs/dbraw/zinc/74/94/51/442749451.db2.gz YSPLVEIAUKASAJ-QGZVFWFLSA-N 2 1 325.497 1.870 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000246726499 442807666 /nfs/dbraw/zinc/80/76/66/442807666.db2.gz XYDDTHNVDJGJMH-ROUUACIJSA-N 2 1 332.492 1.465 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000246726499 442807670 /nfs/dbraw/zinc/80/76/70/442807670.db2.gz XYDDTHNVDJGJMH-ROUUACIJSA-N 2 1 332.492 1.465 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000246538346 442791393 /nfs/dbraw/zinc/79/13/93/442791393.db2.gz SHCSSSHOESNDGI-INMHGKMJSA-N 2 1 331.460 1.522 20 0 EDADMP C[NH+](C[C@@H]1CCC[C@@H]1O)CC1(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)COC1 ZINC000182364638 442760697 /nfs/dbraw/zinc/76/06/97/442760697.db2.gz INOQEHDYSNMKCI-XSLAGTTESA-N 2 1 340.508 1.189 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CC[NH+]3CCC2CC3)c2ccccc2)CC1 ZINC000188642137 442777559 /nfs/dbraw/zinc/77/75/59/442777559.db2.gz NLJTUWBZXQQLJG-IBGZPJMESA-N 2 1 342.487 1.282 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000193758602 442781872 /nfs/dbraw/zinc/78/18/72/442781872.db2.gz LZKOZOWOMWLXPK-QGZVFWFLSA-N 2 1 340.512 1.472 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000193758602 442781877 /nfs/dbraw/zinc/78/18/77/442781877.db2.gz LZKOZOWOMWLXPK-QGZVFWFLSA-N 2 1 340.512 1.472 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000246726499 442807661 /nfs/dbraw/zinc/80/76/61/442807661.db2.gz XYDDTHNVDJGJMH-ROUUACIJSA-N 2 1 332.492 1.465 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000247091225 442834282 /nfs/dbraw/zinc/83/42/82/442834282.db2.gz PUDODBGPVLEPQC-SJORKVTESA-N 2 1 338.496 1.225 20 0 EDADMP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000188973018 442852351 /nfs/dbraw/zinc/85/23/51/442852351.db2.gz GQVGDRJOTVSRTC-UHFFFAOYSA-N 2 1 345.491 1.784 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(CC(=O)NC(=O)NC3CCCCC3)CC[C@H]21 ZINC000247495228 442858083 /nfs/dbraw/zinc/85/80/83/442858083.db2.gz ZYXASDZAJOZTID-GOEBONIOSA-N 2 1 336.480 1.561 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000268148629 442870419 /nfs/dbraw/zinc/87/04/19/442870419.db2.gz GLFGWFJYXZLCOB-XJKSGUPXSA-N 2 1 342.447 1.667 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248266391 442887064 /nfs/dbraw/zinc/88/70/64/442887064.db2.gz XXQUHDOHHNPVNB-WTTBNOFXSA-N 2 1 325.497 1.577 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248266391 442887065 /nfs/dbraw/zinc/88/70/65/442887065.db2.gz XXQUHDOHHNPVNB-WTTBNOFXSA-N 2 1 325.497 1.577 20 0 EDADMP COCCC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000194574900 442916200 /nfs/dbraw/zinc/91/62/00/442916200.db2.gz OJBWWUXSOBFYSO-UHFFFAOYSA-N 2 1 347.503 1.998 20 0 EDADMP COCCC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000194574900 442916207 /nfs/dbraw/zinc/91/62/07/442916207.db2.gz OJBWWUXSOBFYSO-UHFFFAOYSA-N 2 1 347.503 1.998 20 0 EDADMP COCCC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000194574900 442916210 /nfs/dbraw/zinc/91/62/10/442916210.db2.gz OJBWWUXSOBFYSO-UHFFFAOYSA-N 2 1 347.503 1.998 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](CO)C3)CC2)cc1 ZINC000265829038 442937221 /nfs/dbraw/zinc/93/72/21/442937221.db2.gz LYTZZPBYMVQURG-LJQANCHMSA-N 2 1 345.487 1.344 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C[C@H]3CC[NH2+]C3)c2)CCO1 ZINC000249537506 442984240 /nfs/dbraw/zinc/98/42/40/442984240.db2.gz CXFZYTBVHLNVPH-DOTOQJQBSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C[C@H]3CC[NH2+]C3)c2)CCO1 ZINC000249537506 442984242 /nfs/dbraw/zinc/98/42/42/442984242.db2.gz CXFZYTBVHLNVPH-DOTOQJQBSA-N 2 1 331.460 1.523 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)C2CCCC2)C1 ZINC000184611844 443048920 /nfs/dbraw/zinc/04/89/20/443048920.db2.gz ARHRDHUPGDIKID-DOTOQJQBSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)C[NH+]1CCOCC1 ZINC000189970763 443040543 /nfs/dbraw/zinc/04/05/43/443040543.db2.gz YAJLNSVMKVQJCF-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N1CCOCC1 ZINC000184742610 443070524 /nfs/dbraw/zinc/07/05/24/443070524.db2.gz DSHYEVROWIAEON-IRXDYDNUSA-N 2 1 345.487 1.591 20 0 EDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000268885582 443137321 /nfs/dbraw/zinc/13/73/21/443137321.db2.gz YVYOSWLTDBVNJS-CRAIPNDOSA-N 2 1 331.460 1.921 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000266578919 443174566 /nfs/dbraw/zinc/17/45/66/443174566.db2.gz WZDPTIBIEHEZGS-AWEZNQCLSA-N 2 1 342.509 1.618 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000261979769 443177121 /nfs/dbraw/zinc/17/71/21/443177121.db2.gz RFWFAUKVVODFPI-UAGQMJEPSA-N 2 1 334.464 1.622 20 0 EDADMP [NH3+]C[C@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000237868609 443184661 /nfs/dbraw/zinc/18/46/61/443184661.db2.gz YDHGYZVHTXTLAK-GOSISDBHSA-N 2 1 330.476 1.002 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000268936153 443152595 /nfs/dbraw/zinc/15/25/95/443152595.db2.gz YQXQGWDWPZFIIZ-MNEFBYGVSA-N 2 1 328.460 1.954 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H](C[NH3+])C3)cc2F)CC1 ZINC000236993847 443154647 /nfs/dbraw/zinc/15/46/47/443154647.db2.gz ZMSQWRWWNNEWCT-OAHLLOKOSA-N 2 1 348.466 1.779 20 0 EDADMP CC[C@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000236977517 443154949 /nfs/dbraw/zinc/15/49/49/443154949.db2.gz CSNRRPCEGQKPMM-INIZCTEOSA-N 2 1 330.432 1.649 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCOCC1 ZINC000245642826 443242218 /nfs/dbraw/zinc/24/22/18/443242218.db2.gz ZKTYVKQBSVKXGB-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CCC[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262707254 443208144 /nfs/dbraw/zinc/20/81/44/443208144.db2.gz NFZAEFJQWPAADV-IRXDYDNUSA-N 2 1 346.475 1.128 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000411726379 319198714 /nfs/dbraw/zinc/19/87/14/319198714.db2.gz JZLDIMMPTAEGNK-SFHVURJKSA-N 2 1 338.540 1.737 20 0 EDADMP C[N@@H+](CCOc1cccc(Cl)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414681048 319341205 /nfs/dbraw/zinc/34/12/05/319341205.db2.gz OCEOROJBGIAUSV-CQSZACIVSA-N 2 1 339.867 1.848 20 0 EDADMP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414994085 319344352 /nfs/dbraw/zinc/34/43/52/319344352.db2.gz CZKZITRHDOLKEO-OLZOCXBDSA-N 2 1 332.416 1.683 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000414993894 319344529 /nfs/dbraw/zinc/34/45/29/319344529.db2.gz UUMMBYHBUDVBMK-MRXNPFEDSA-N 2 1 346.475 1.439 20 0 EDADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)o1 ZINC000415129711 319346662 /nfs/dbraw/zinc/34/66/62/319346662.db2.gz PLUMMGJHJYKFTD-ZDUSSCGKSA-N 2 1 333.392 1.344 20 0 EDADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)o1 ZINC000415129711 319346665 /nfs/dbraw/zinc/34/66/65/319346665.db2.gz PLUMMGJHJYKFTD-ZDUSSCGKSA-N 2 1 333.392 1.344 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000415969433 319386093 /nfs/dbraw/zinc/38/60/93/319386093.db2.gz GUGUICDRBPGVQP-HZPDHXFCSA-N 2 1 330.432 1.917 20 0 EDADMP [NH3+]Cc1cccnc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000415986572 319387615 /nfs/dbraw/zinc/38/76/15/319387615.db2.gz BISWBLBOMGIONY-UHFFFAOYSA-N 2 1 339.443 1.933 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415990893 319387965 /nfs/dbraw/zinc/38/79/65/319387965.db2.gz DSPBXZZNAZKSKW-RNJOBUHISA-N 2 1 338.418 1.932 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2ncccc2C[NH3+])C[C@H](C)O1 ZINC000416001476 319389223 /nfs/dbraw/zinc/38/92/23/319389223.db2.gz ZESXLHQCYLKJPO-BETUJISGSA-N 2 1 335.452 1.550 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2ncccc2C[NH3+])C[C@H](C)O1 ZINC000416001476 319389226 /nfs/dbraw/zinc/38/92/26/319389226.db2.gz ZESXLHQCYLKJPO-BETUJISGSA-N 2 1 335.452 1.550 20 0 EDADMP CCN(CCCO)CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1 ZINC000266870582 443274210 /nfs/dbraw/zinc/27/42/10/443274210.db2.gz POMMPEPTQMUWIU-UHFFFAOYSA-N 2 1 349.475 1.044 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000266879144 443276663 /nfs/dbraw/zinc/27/66/63/443276663.db2.gz ZVNPWMGXVDDHOG-QZTJIDSGSA-N 2 1 346.475 1.225 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000266879144 443276667 /nfs/dbraw/zinc/27/66/67/443276667.db2.gz ZVNPWMGXVDDHOG-QZTJIDSGSA-N 2 1 346.475 1.225 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000266879144 443276670 /nfs/dbraw/zinc/27/66/70/443276670.db2.gz ZVNPWMGXVDDHOG-QZTJIDSGSA-N 2 1 346.475 1.225 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000266879144 443276672 /nfs/dbraw/zinc/27/66/72/443276672.db2.gz ZVNPWMGXVDDHOG-QZTJIDSGSA-N 2 1 346.475 1.225 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000416828911 319464539 /nfs/dbraw/zinc/46/45/39/319464539.db2.gz FGFQNVRPZOARLB-RDJZCZTQSA-N 2 1 346.475 1.834 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)CCCC[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000418671995 319509604 /nfs/dbraw/zinc/50/96/04/319509604.db2.gz LQTVDJBUHNOARJ-XHSDSOJGSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272526510 443351727 /nfs/dbraw/zinc/35/17/27/443351727.db2.gz QJVMDLHSGMOYFK-SJLPKXTDSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272526510 443351729 /nfs/dbraw/zinc/35/17/29/443351729.db2.gz QJVMDLHSGMOYFK-SJLPKXTDSA-N 2 1 331.460 1.345 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000278740492 443421306 /nfs/dbraw/zinc/42/13/06/443421306.db2.gz SVOZEIASHJTTGA-BBWFWOEESA-N 2 1 337.464 1.536 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000278740492 443421309 /nfs/dbraw/zinc/42/13/09/443421309.db2.gz SVOZEIASHJTTGA-BBWFWOEESA-N 2 1 337.464 1.536 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000282985765 443488426 /nfs/dbraw/zinc/48/84/26/443488426.db2.gz DRHWTRVJEGROPV-HNNXBMFYSA-N 2 1 325.840 1.127 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1-n1ccnn1 ZINC000286036701 443631515 /nfs/dbraw/zinc/63/15/15/443631515.db2.gz KJUZGLTZMNVKRZ-HNNXBMFYSA-N 2 1 342.447 1.082 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC[NH+](C)C3CC3)c2C1 ZINC000265408514 443632031 /nfs/dbraw/zinc/63/20/31/443632031.db2.gz RSBCVZUQHNHCOF-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC[NH+](C)C3CC3)c2C1 ZINC000265408514 443632037 /nfs/dbraw/zinc/63/20/37/443632037.db2.gz RSBCVZUQHNHCOF-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)c2C1 ZINC000265408514 443632039 /nfs/dbraw/zinc/63/20/39/443632039.db2.gz RSBCVZUQHNHCOF-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)c2C1 ZINC000265408514 443632042 /nfs/dbraw/zinc/63/20/42/443632042.db2.gz RSBCVZUQHNHCOF-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000439351732 320045801 /nfs/dbraw/zinc/04/58/01/320045801.db2.gz WQUSUCPGFPGESH-OAHLLOKOSA-N 2 1 346.475 1.548 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CC[NH2+]C3(C)C)cc2)CC1 ZINC000449754749 320205580 /nfs/dbraw/zinc/20/55/80/320205580.db2.gz RNLKQBFFCYWABL-QGZVFWFLSA-N 2 1 330.476 1.304 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000457143375 320320594 /nfs/dbraw/zinc/32/05/94/320320594.db2.gz ZQOFPSAKJBEXCY-QGZVFWFLSA-N 2 1 345.487 1.811 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000457500498 320328465 /nfs/dbraw/zinc/32/84/65/320328465.db2.gz CAMKWCHADYSCPS-IRXDYDNUSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000457500498 320328466 /nfs/dbraw/zinc/32/84/66/320328466.db2.gz CAMKWCHADYSCPS-IRXDYDNUSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000457500498 320328467 /nfs/dbraw/zinc/32/84/67/320328467.db2.gz CAMKWCHADYSCPS-IRXDYDNUSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000457499886 320328572 /nfs/dbraw/zinc/32/85/72/320328572.db2.gz BNUJJIYLOCITHN-QGZVFWFLSA-N 2 1 348.491 1.217 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000457499886 320328573 /nfs/dbraw/zinc/32/85/73/320328573.db2.gz BNUJJIYLOCITHN-QGZVFWFLSA-N 2 1 348.491 1.217 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000457499886 320328574 /nfs/dbraw/zinc/32/85/74/320328574.db2.gz BNUJJIYLOCITHN-QGZVFWFLSA-N 2 1 348.491 1.217 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000457499886 320328575 /nfs/dbraw/zinc/32/85/75/320328575.db2.gz BNUJJIYLOCITHN-QGZVFWFLSA-N 2 1 348.491 1.217 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000457705670 320332514 /nfs/dbraw/zinc/33/25/14/320332514.db2.gz ZOCMSPAPWJLFPS-WBVHZDCISA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000457705670 320332515 /nfs/dbraw/zinc/33/25/15/320332515.db2.gz ZOCMSPAPWJLFPS-WBVHZDCISA-N 2 1 340.512 1.205 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000458804246 320342234 /nfs/dbraw/zinc/34/22/34/320342234.db2.gz GCVWXTNWHSGQPY-HRCADAONSA-N 2 1 328.501 1.203 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000458804246 320342235 /nfs/dbraw/zinc/34/22/35/320342235.db2.gz GCVWXTNWHSGQPY-HRCADAONSA-N 2 1 328.501 1.203 20 0 EDADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NC(N)=O ZINC000298891869 443895004 /nfs/dbraw/zinc/89/50/04/443895004.db2.gz XEGPPMRUUCFZQI-KGLIPLIRSA-N 2 1 332.448 1.592 20 0 EDADMP CCN(CCO)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000298735593 443853123 /nfs/dbraw/zinc/85/31/23/443853123.db2.gz IATMTBVSWXDTTR-UHFFFAOYSA-N 2 1 333.476 1.344 20 0 EDADMP CC[N@H+](CCO)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000298735593 443853126 /nfs/dbraw/zinc/85/31/26/443853126.db2.gz IATMTBVSWXDTTR-UHFFFAOYSA-N 2 1 333.476 1.344 20 0 EDADMP CC[N@@H+](CCO)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000298735593 443853133 /nfs/dbraw/zinc/85/31/33/443853133.db2.gz IATMTBVSWXDTTR-UHFFFAOYSA-N 2 1 333.476 1.344 20 0 EDADMP CC[NH+](CCO)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000298735593 443853136 /nfs/dbraw/zinc/85/31/36/443853136.db2.gz IATMTBVSWXDTTR-UHFFFAOYSA-N 2 1 333.476 1.344 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293010626 443901305 /nfs/dbraw/zinc/90/13/05/443901305.db2.gz PRCLGFKCDQQDEW-AZUAARDMSA-N 2 1 348.487 1.990 20 0 EDADMP COC(=O)CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285434829 443982834 /nfs/dbraw/zinc/98/28/34/443982834.db2.gz CMYJRDUEPOILPD-SFHVURJKSA-N 2 1 331.460 1.442 20 0 EDADMP COC(=O)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285434829 443982837 /nfs/dbraw/zinc/98/28/37/443982837.db2.gz CMYJRDUEPOILPD-SFHVURJKSA-N 2 1 331.460 1.442 20 0 EDADMP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000288798816 443985830 /nfs/dbraw/zinc/98/58/30/443985830.db2.gz IMCCCEYSJVHRDQ-INIZCTEOSA-N 2 1 349.479 1.306 20 0 EDADMP Cc1cccc(CCC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)n1 ZINC000285580596 444035787 /nfs/dbraw/zinc/03/57/87/444035787.db2.gz OHQVKHYPBPSRDC-UHFFFAOYSA-N 2 1 340.475 1.654 20 0 EDADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C[C@H](C)[N@H+]1C ZINC000293481732 444030685 /nfs/dbraw/zinc/03/06/85/444030685.db2.gz VQIPALYKTSGWEM-GASCZTMLSA-N 2 1 346.475 1.280 20 0 EDADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C[C@H](C)[N@@H+]1C ZINC000293481732 444030690 /nfs/dbraw/zinc/03/06/90/444030690.db2.gz VQIPALYKTSGWEM-GASCZTMLSA-N 2 1 346.475 1.280 20 0 EDADMP CC[C@H]1CN(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)C[C@@H]1[NH+]1CCOCC1 ZINC000557255080 321001082 /nfs/dbraw/zinc/00/10/82/321001082.db2.gz RPTNOYXPNPAJCM-MUQADHOPSA-N 2 1 338.496 1.066 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000557305991 321002202 /nfs/dbraw/zinc/00/22/02/321002202.db2.gz GIIPFMIRFQBODD-MRXNPFEDSA-N 2 1 340.512 1.055 20 0 EDADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)CO2 ZINC000560343615 321021691 /nfs/dbraw/zinc/02/16/91/321021691.db2.gz OLRSHOMZMAHOFM-SJORKVTESA-N 2 1 334.460 1.681 20 0 EDADMP Cc1nccn1C[C@@H](C)CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000562661082 321066934 /nfs/dbraw/zinc/06/69/34/321066934.db2.gz CABDYKFWUZFFEM-LSDHHAIUSA-N 2 1 333.480 1.953 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000562661082 321066936 /nfs/dbraw/zinc/06/69/36/321066936.db2.gz CABDYKFWUZFFEM-LSDHHAIUSA-N 2 1 333.480 1.953 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000563091653 321094568 /nfs/dbraw/zinc/09/45/68/321094568.db2.gz CVYPDZCJUXSPMD-UVPYHEFZSA-N 2 1 326.485 1.395 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000564857504 321152029 /nfs/dbraw/zinc/15/20/29/321152029.db2.gz UVFNDSLINJNOIL-IBGZPJMESA-N 2 1 347.503 1.512 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000565184014 321174448 /nfs/dbraw/zinc/17/44/48/321174448.db2.gz ZQCZCCAQMMYBKD-INIZCTEOSA-N 2 1 335.496 1.829 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000565597731 321192682 /nfs/dbraw/zinc/19/26/82/321192682.db2.gz UOESSJNNFGVHEY-KRWDZBQOSA-N 2 1 334.464 1.222 20 0 EDADMP C[NH2+][C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)c1cnn(C)c1 ZINC000285752050 444096982 /nfs/dbraw/zinc/09/69/82/444096982.db2.gz JFLOEVRCDAFKKO-KRWDZBQOSA-N 2 1 345.447 1.650 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000566303572 321225997 /nfs/dbraw/zinc/22/59/97/321225997.db2.gz CPESUVDACBISDA-CVEARBPZSA-N 2 1 348.466 1.534 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000566303572 321225999 /nfs/dbraw/zinc/22/59/99/321225999.db2.gz CPESUVDACBISDA-CVEARBPZSA-N 2 1 348.466 1.534 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000567120659 321241632 /nfs/dbraw/zinc/24/16/32/321241632.db2.gz IKKRFIMDJMZOMA-ZWKOTPCHSA-N 2 1 333.476 1.584 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000567896435 321267186 /nfs/dbraw/zinc/26/71/86/321267186.db2.gz LVSBENDWNHAGEY-UHFFFAOYSA-N 2 1 330.476 1.128 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000568946003 321311400 /nfs/dbraw/zinc/31/14/00/321311400.db2.gz XUXBIWMBLIGBFF-UHFFFAOYSA-N 2 1 345.487 1.818 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000570570173 321348539 /nfs/dbraw/zinc/34/85/39/321348539.db2.gz RMDJAACJEKADJX-QWHCGFSZSA-N 2 1 333.480 1.566 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000570955794 321366735 /nfs/dbraw/zinc/36/67/35/321366735.db2.gz HVMKHPPGMASBFA-IYBDPMFKSA-N 2 1 346.537 1.274 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000573223523 321445164 /nfs/dbraw/zinc/44/51/64/321445164.db2.gz BOSSVWLQGJIZBT-JCGIZDLHSA-N 2 1 341.459 1.882 20 0 EDADMP CO[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000282235823 444123004 /nfs/dbraw/zinc/12/30/04/444123004.db2.gz FVAVIOYBMBACPD-CGTJXYLNSA-N 2 1 333.476 1.905 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn2cccnc12 ZINC000299729432 444125832 /nfs/dbraw/zinc/12/58/32/444125832.db2.gz VXIOCXKJKDMAAT-HNNXBMFYSA-N 2 1 344.463 1.217 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)COCc3ccccc3)CC2)C1 ZINC000305237669 444267273 /nfs/dbraw/zinc/26/72/73/444267273.db2.gz OLSDXZDCKNQEPN-VQTJNVASSA-N 2 1 347.503 1.276 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)COCc3ccccc3)CC2)C1 ZINC000305237669 444267274 /nfs/dbraw/zinc/26/72/74/444267274.db2.gz OLSDXZDCKNQEPN-VQTJNVASSA-N 2 1 347.503 1.276 20 0 EDADMP O=C(NCCC1=CC[NH2+]CC1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000577164643 321628358 /nfs/dbraw/zinc/62/83/58/321628358.db2.gz RDNMGHCXMVBRAF-DLBZAZTESA-N 2 1 336.480 1.239 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCCC[C@H]2C)CC1 ZINC000303249313 444234880 /nfs/dbraw/zinc/23/48/80/444234880.db2.gz FEJVBBUTTWCLGG-HZPDHXFCSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)C[C@H](C)O1 ZINC000303379876 444236833 /nfs/dbraw/zinc/23/68/33/444236833.db2.gz QMJXOZHFFOQIRV-SOLBZPMBSA-N 2 1 342.524 1.984 20 0 EDADMP O=C(C[N@@H+](CCO)Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000303402610 444237435 /nfs/dbraw/zinc/23/74/35/444237435.db2.gz NFYSKORCRNIXSM-UHFFFAOYSA-N 2 1 331.460 1.224 20 0 EDADMP O=C(C[N@H+](CCO)Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000303402610 444237436 /nfs/dbraw/zinc/23/74/36/444237436.db2.gz NFYSKORCRNIXSM-UHFFFAOYSA-N 2 1 331.460 1.224 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC(C)(C)CC2)C1 ZINC000303956515 444238117 /nfs/dbraw/zinc/23/81/17/444238117.db2.gz XOAUZAMVZGFNRF-QGZVFWFLSA-N 2 1 339.524 1.972 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC(C)(C)CC2)C1 ZINC000303956515 444238119 /nfs/dbraw/zinc/23/81/19/444238119.db2.gz XOAUZAMVZGFNRF-QGZVFWFLSA-N 2 1 339.524 1.972 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC(C)(C)CC2)C1 ZINC000303956515 444238120 /nfs/dbraw/zinc/23/81/20/444238120.db2.gz XOAUZAMVZGFNRF-QGZVFWFLSA-N 2 1 339.524 1.972 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000290129775 444246321 /nfs/dbraw/zinc/24/63/21/444246321.db2.gz JXPUTALTGGJXQW-NVXWUHKLSA-N 2 1 339.505 1.521 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000290129775 444246323 /nfs/dbraw/zinc/24/63/23/444246323.db2.gz JXPUTALTGGJXQW-NVXWUHKLSA-N 2 1 339.505 1.521 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000290698456 444312306 /nfs/dbraw/zinc/31/23/06/444312306.db2.gz SLIWBWNKVMKYCQ-UHFFFAOYSA-N 2 1 346.519 1.896 20 0 EDADMP CN(CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)CC[NH+](C)C ZINC000290698456 444312307 /nfs/dbraw/zinc/31/23/07/444312307.db2.gz SLIWBWNKVMKYCQ-UHFFFAOYSA-N 2 1 346.519 1.896 20 0 EDADMP [NH3+]CCCOC1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000325649075 444367500 /nfs/dbraw/zinc/36/75/00/444367500.db2.gz ZBMHUACVZSUELU-UHFFFAOYSA-N 2 1 331.460 1.796 20 0 EDADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CO2 ZINC000297787805 444334546 /nfs/dbraw/zinc/33/45/46/444334546.db2.gz PVVBYUVYKUWQGB-QGZVFWFLSA-N 2 1 333.476 1.616 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000327436563 444382044 /nfs/dbraw/zinc/38/20/44/444382044.db2.gz PYPYQYVQLSWCOC-UHFFFAOYSA-N 2 1 348.495 1.395 20 0 EDADMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000580196594 322022426 /nfs/dbraw/zinc/02/24/26/322022426.db2.gz UGCFYVANTDEYBA-ZWKOTPCHSA-N 2 1 340.895 1.926 20 0 EDADMP O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[NH+](C2CC2)CC1 ZINC000580656181 322078891 /nfs/dbraw/zinc/07/88/91/322078891.db2.gz XDJUGYHQGIWOES-DLBZAZTESA-N 2 1 333.863 1.950 20 0 EDADMP OC(C[NH+]1CCCC[C@H]1C1(O)CC1)C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000580818993 322099089 /nfs/dbraw/zinc/09/90/89/322099089.db2.gz IBGNSEVXUFVFTD-IRXDYDNUSA-N 2 1 338.492 1.106 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000581020449 322125769 /nfs/dbraw/zinc/12/57/69/322125769.db2.gz JWFBPOIPEKYGAM-INIZCTEOSA-N 2 1 330.476 1.714 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000581088770 322134704 /nfs/dbraw/zinc/13/47/04/322134704.db2.gz IDCROTDBFPKECK-MSOLQXFVSA-N 2 1 344.503 1.655 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000581088770 322134705 /nfs/dbraw/zinc/13/47/05/322134705.db2.gz IDCROTDBFPKECK-MSOLQXFVSA-N 2 1 344.503 1.655 20 0 EDADMP CC(C)CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000581200289 322148814 /nfs/dbraw/zinc/14/88/14/322148814.db2.gz ONCGLRAGEHDGOR-FUHWJXTLSA-N 2 1 331.460 1.855 20 0 EDADMP CC(C)CCOc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000581200289 322148817 /nfs/dbraw/zinc/14/88/17/322148817.db2.gz ONCGLRAGEHDGOR-FUHWJXTLSA-N 2 1 331.460 1.855 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCC[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000581597799 322196595 /nfs/dbraw/zinc/19/65/95/322196595.db2.gz YMSZBVKOWPKRNU-QBPKDAKJSA-N 2 1 338.496 1.412 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000581953746 322238099 /nfs/dbraw/zinc/23/80/99/322238099.db2.gz XNWZODDRZIRPIG-CVEARBPZSA-N 2 1 325.522 1.757 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+]([C@H]3CCN(c4ccccc4)C3=O)C2)nn1 ZINC000581993539 322242199 /nfs/dbraw/zinc/24/21/99/322242199.db2.gz DHQANOJQVUDVII-IRXDYDNUSA-N 2 1 340.431 1.179 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@H+]([C@H]3CCN(c4ccccc4)C3=O)C2)nn1 ZINC000581993539 322242201 /nfs/dbraw/zinc/24/22/01/322242201.db2.gz DHQANOJQVUDVII-IRXDYDNUSA-N 2 1 340.431 1.179 20 0 EDADMP CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000332594889 444520905 /nfs/dbraw/zinc/52/09/05/444520905.db2.gz GLHGDUSJTRRWRY-HZPDHXFCSA-N 2 1 329.510 1.405 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342142617 444530522 /nfs/dbraw/zinc/53/05/22/444530522.db2.gz VSFVARHRLLPDME-YTQUADARSA-N 2 1 345.487 1.899 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342142617 444530525 /nfs/dbraw/zinc/53/05/25/444530525.db2.gz VSFVARHRLLPDME-YTQUADARSA-N 2 1 345.487 1.899 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000340830790 444532321 /nfs/dbraw/zinc/53/23/21/444532321.db2.gz ZZDROTPJWAEEHY-MRXNPFEDSA-N 2 1 328.501 1.184 20 0 EDADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000342260957 444596788 /nfs/dbraw/zinc/59/67/88/444596788.db2.gz QBDHUKABDBYINT-ZWKOTPCHSA-N 2 1 333.476 1.327 20 0 EDADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000342260957 444596793 /nfs/dbraw/zinc/59/67/93/444596793.db2.gz QBDHUKABDBYINT-ZWKOTPCHSA-N 2 1 333.476 1.327 20 0 EDADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000342260957 444596796 /nfs/dbraw/zinc/59/67/96/444596796.db2.gz QBDHUKABDBYINT-ZWKOTPCHSA-N 2 1 333.476 1.327 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(O)cc1 ZINC000340957732 444596887 /nfs/dbraw/zinc/59/68/87/444596887.db2.gz IXTUYODWZOEMIZ-QGZVFWFLSA-N 2 1 348.491 1.950 20 0 EDADMP CCC1(CC)[C@H]([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1OC ZINC000338269527 444601133 /nfs/dbraw/zinc/60/11/33/444601133.db2.gz FBNSVMSHDPQSOV-CVEARBPZSA-N 2 1 325.497 1.676 20 0 EDADMP CCC1(CC)[C@H]([N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1OC ZINC000338269527 444601136 /nfs/dbraw/zinc/60/11/36/444601136.db2.gz FBNSVMSHDPQSOV-CVEARBPZSA-N 2 1 325.497 1.676 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000332949261 444607932 /nfs/dbraw/zinc/60/79/32/444607932.db2.gz VQOGFLOWNNTYRP-FZMZJTMJSA-N 2 1 330.436 1.435 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000332949261 444607935 /nfs/dbraw/zinc/60/79/35/444607935.db2.gz VQOGFLOWNNTYRP-FZMZJTMJSA-N 2 1 330.436 1.435 20 0 EDADMP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CCC[NH+]1CCOC)c1ccccc1 ZINC000343835718 444618339 /nfs/dbraw/zinc/61/83/39/444618339.db2.gz SGMTTWQCZXIXDI-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1CCC[NH+]1CCOC)c1ccccc1 ZINC000343835718 444618342 /nfs/dbraw/zinc/61/83/42/444618342.db2.gz SGMTTWQCZXIXDI-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCOC)c1ccccc1 ZINC000343835718 444618344 /nfs/dbraw/zinc/61/83/44/444618344.db2.gz SGMTTWQCZXIXDI-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CCOC)c1ccccc1 ZINC000343835718 444618346 /nfs/dbraw/zinc/61/83/46/444618346.db2.gz SGMTTWQCZXIXDI-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000338312976 444625207 /nfs/dbraw/zinc/62/52/07/444625207.db2.gz GALIDZVBFPFGQV-JKSUJKDBSA-N 2 1 329.510 1.218 20 0 EDADMP CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000338312976 444625211 /nfs/dbraw/zinc/62/52/11/444625211.db2.gz GALIDZVBFPFGQV-JKSUJKDBSA-N 2 1 329.510 1.218 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000341047518 444651103 /nfs/dbraw/zinc/65/11/03/444651103.db2.gz KEYMEXQZMHTTNU-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000341047518 444651108 /nfs/dbraw/zinc/65/11/08/444651108.db2.gz KEYMEXQZMHTTNU-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000341047518 444651112 /nfs/dbraw/zinc/65/11/12/444651112.db2.gz KEYMEXQZMHTTNU-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C(C)C)N2CCOCC2)C1 ZINC000338329599 444636582 /nfs/dbraw/zinc/63/65/82/444636582.db2.gz ZFCRXMGNSIIXDQ-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000338329599 444636588 /nfs/dbraw/zinc/63/65/88/444636588.db2.gz ZFCRXMGNSIIXDQ-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000338329599 444636589 /nfs/dbraw/zinc/63/65/89/444636589.db2.gz ZFCRXMGNSIIXDQ-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000338333869 444639607 /nfs/dbraw/zinc/63/96/07/444639607.db2.gz YOLDUDRXFRKPTG-KFWWJZLASA-N 2 1 328.501 1.514 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000338333869 444639611 /nfs/dbraw/zinc/63/96/11/444639611.db2.gz YOLDUDRXFRKPTG-KFWWJZLASA-N 2 1 328.501 1.514 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000341159688 444702878 /nfs/dbraw/zinc/70/28/78/444702878.db2.gz JGKPGDAGVDJCTP-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000341159688 444702881 /nfs/dbraw/zinc/70/28/81/444702881.db2.gz JGKPGDAGVDJCTP-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000341159688 444702885 /nfs/dbraw/zinc/70/28/85/444702885.db2.gz JGKPGDAGVDJCTP-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@H]1[NH2+]CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H]1C ZINC000333893267 444710380 /nfs/dbraw/zinc/71/03/80/444710380.db2.gz HKAHLMYKJPUVCK-HZPDHXFCSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)CC[N@H+]1C ZINC000341188394 444718535 /nfs/dbraw/zinc/71/85/35/444718535.db2.gz DAIFKKQJGQBQHA-JKSUJKDBSA-N 2 1 333.480 1.638 20 0 EDADMP C[N@@H+](CCNC(=O)NCCN1CCOC(C)(C)C1)C1CCCCC1 ZINC000338493418 444721073 /nfs/dbraw/zinc/72/10/73/444721073.db2.gz FVTJUKGKIUEUQL-UHFFFAOYSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C[C@H]1C ZINC000344004609 444722188 /nfs/dbraw/zinc/72/21/88/444722188.db2.gz DPNWYHKNRFXQHD-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C[C@H]1C ZINC000344004609 444722193 /nfs/dbraw/zinc/72/21/93/444722193.db2.gz DPNWYHKNRFXQHD-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000333946519 444725818 /nfs/dbraw/zinc/72/58/18/444725818.db2.gz USEDECSVEFXNTC-XHSDSOJGSA-N 2 1 340.512 1.421 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1C ZINC000341204603 444727769 /nfs/dbraw/zinc/72/77/69/444727769.db2.gz PWMOMWYKTLZMOE-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CC(=O)OC ZINC000343955100 444692233 /nfs/dbraw/zinc/69/22/33/444692233.db2.gz SUPNSPYICTVVPQ-CABCVRRESA-N 2 1 327.469 1.060 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000330003141 444806838 /nfs/dbraw/zinc/80/68/38/444806838.db2.gz BMEFOUZVJWBHBA-BXUZGUMPSA-N 2 1 330.436 1.245 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000342631761 444787852 /nfs/dbraw/zinc/78/78/52/444787852.db2.gz CNAUADPJOZYYNZ-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)NCc1ccco1 ZINC000344117127 444790459 /nfs/dbraw/zinc/79/04/59/444790459.db2.gz BFIIIFXKBJXSIK-UHFFFAOYSA-N 2 1 336.480 1.245 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)NCc1ccco1 ZINC000344117127 444790465 /nfs/dbraw/zinc/79/04/65/444790465.db2.gz BFIIIFXKBJXSIK-UHFFFAOYSA-N 2 1 336.480 1.245 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000342864954 444901552 /nfs/dbraw/zinc/90/15/52/444901552.db2.gz ROBFQFRFMYXYQQ-HNNXBMFYSA-N 2 1 347.415 1.682 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000342864954 444901558 /nfs/dbraw/zinc/90/15/58/444901558.db2.gz ROBFQFRFMYXYQQ-HNNXBMFYSA-N 2 1 347.415 1.682 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000341647531 444931970 /nfs/dbraw/zinc/93/19/70/444931970.db2.gz VSFWFMDYTGBYSN-KRWDZBQOSA-N 2 1 339.524 1.925 20 0 EDADMP NC(=O)C[C@@H]1CCCC[NH+]1C/C=C\C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000339137995 445052136 /nfs/dbraw/zinc/05/21/36/445052136.db2.gz YBKKOWSJJBNHTL-XFCCUVRLSA-N 2 1 336.480 1.002 20 0 EDADMP Cc1ccc(NCCCNC(=O)NCC[N@H+]2CCCC[C@@H]2C)[nH+]c1 ZINC000337391860 445059723 /nfs/dbraw/zinc/05/97/23/445059723.db2.gz ZZJZGTMIJDIWKD-INIZCTEOSA-N 2 1 333.480 2.366 20 0 EDADMP Cc1ccc(NCCCNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)[nH+]c1 ZINC000337391860 445059727 /nfs/dbraw/zinc/05/97/27/445059727.db2.gz ZZJZGTMIJDIWKD-INIZCTEOSA-N 2 1 333.480 2.366 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000337513451 445112968 /nfs/dbraw/zinc/11/29/68/445112968.db2.gz NXPPOAACWVMJRI-MRXNPFEDSA-N 2 1 335.496 1.885 20 0 EDADMP C[C@@H](Cn1ccnc1)NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337524191 445119606 /nfs/dbraw/zinc/11/96/06/445119606.db2.gz ALACBHRMIDJISG-SOUVJXGZSA-N 2 1 337.468 1.459 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C)(C)CC2)C1 ZINC000339259961 445121577 /nfs/dbraw/zinc/12/15/77/445121577.db2.gz SQUYWPJMKRBRRJ-MRXNPFEDSA-N 2 1 325.497 1.581 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@@H]21 ZINC000342089601 445165796 /nfs/dbraw/zinc/16/57/96/445165796.db2.gz RZGKVQFHGLTNLG-CWRNSKLLSA-N 2 1 345.443 1.846 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@@H]21 ZINC000342089601 445165800 /nfs/dbraw/zinc/16/58/00/445165800.db2.gz RZGKVQFHGLTNLG-CWRNSKLLSA-N 2 1 345.443 1.846 20 0 EDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000343269892 445171352 /nfs/dbraw/zinc/17/13/52/445171352.db2.gz CSYMDEGZLHFPLT-YZGWKJHDSA-N 2 1 330.520 1.905 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCCN3CCc4ccccc43)C[C@@H]21 ZINC000342111861 445177245 /nfs/dbraw/zinc/17/72/45/445177245.db2.gz UVCMGVVUKYAFML-FGTMMUONSA-N 2 1 342.487 1.225 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCCN3CCc4ccccc43)C[C@@H]21 ZINC000342111861 445177250 /nfs/dbraw/zinc/17/72/50/445177250.db2.gz UVCMGVVUKYAFML-FGTMMUONSA-N 2 1 342.487 1.225 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCCO1 ZINC000339442996 445143688 /nfs/dbraw/zinc/14/36/88/445143688.db2.gz DSDMVPQYJXPXOI-SFHVURJKSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1noc(CCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000619180151 450422184 /nfs/dbraw/zinc/42/21/84/450422184.db2.gz MYWRSLNCTSVBKC-UHFFFAOYSA-N 2 1 344.419 1.486 20 0 EDADMP Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)[NH+](C)C)cc1 ZINC000343342101 445205490 /nfs/dbraw/zinc/20/54/90/445205490.db2.gz ULACLOCPPWNIRR-ROUUACIJSA-N 2 1 330.476 1.104 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@]2(CC[NH+](C)C2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000346263252 445209565 /nfs/dbraw/zinc/20/95/65/445209565.db2.gz CJSBIBHKCAUOLL-ZMMAXQRCSA-N 2 1 337.508 1.674 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@]2(CC[NH+](C)C2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000346263252 445209566 /nfs/dbraw/zinc/20/95/66/445209566.db2.gz CJSBIBHKCAUOLL-ZMMAXQRCSA-N 2 1 337.508 1.674 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000346263252 445209567 /nfs/dbraw/zinc/20/95/67/445209567.db2.gz CJSBIBHKCAUOLL-ZMMAXQRCSA-N 2 1 337.508 1.674 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000346263252 445209568 /nfs/dbraw/zinc/20/95/68/445209568.db2.gz CJSBIBHKCAUOLL-ZMMAXQRCSA-N 2 1 337.508 1.674 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000343374853 445212179 /nfs/dbraw/zinc/21/21/79/445212179.db2.gz UTOVTVUYFIEHLL-PKOBYXMFSA-N 2 1 349.523 1.505 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)[C@H]1C ZINC000346671560 445222308 /nfs/dbraw/zinc/22/23/08/445222308.db2.gz JYILZMLRPAQJIY-ARFHVFGLSA-N 2 1 345.443 1.897 20 0 EDADMP CC[C@H](C)NC(=O)CN(C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346941807 445228485 /nfs/dbraw/zinc/22/84/85/445228485.db2.gz WBKLZCFVRDOYQX-MPGHIAIKSA-N 2 1 335.496 1.650 20 0 EDADMP CC[C@H](C)NC(=O)C[N@H+](C)C[C@@H]1CCCN(C)[C@@H]1c1ccnn1C ZINC000346941807 445228487 /nfs/dbraw/zinc/22/84/87/445228487.db2.gz WBKLZCFVRDOYQX-MPGHIAIKSA-N 2 1 335.496 1.650 20 0 EDADMP CC[C@H](C)NC(=O)C[N@@H+](C)C[C@@H]1CCCN(C)[C@@H]1c1ccnn1C ZINC000346941807 445228488 /nfs/dbraw/zinc/22/84/88/445228488.db2.gz WBKLZCFVRDOYQX-MPGHIAIKSA-N 2 1 335.496 1.650 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NCC[N@@H+](C)C2CCCC2)[NH+](C)C1 ZINC000347083814 445231356 /nfs/dbraw/zinc/23/13/56/445231356.db2.gz CYDMKPPZKYHFIA-CVEARBPZSA-N 2 1 326.485 1.221 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NCC[NH+](C)C2CCCC2)[N@H+](C)C1 ZINC000347083814 445231357 /nfs/dbraw/zinc/23/13/57/445231357.db2.gz CYDMKPPZKYHFIA-CVEARBPZSA-N 2 1 326.485 1.221 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NCC[NH+](C)C2CCCC2)[N@@H+](C)C1 ZINC000347083814 445231358 /nfs/dbraw/zinc/23/13/58/445231358.db2.gz CYDMKPPZKYHFIA-CVEARBPZSA-N 2 1 326.485 1.221 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000343583330 445251422 /nfs/dbraw/zinc/25/14/22/445251422.db2.gz YSWKERCPWCKEOD-QGZVFWFLSA-N 2 1 345.491 1.438 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000347887451 445253873 /nfs/dbraw/zinc/25/38/73/445253873.db2.gz HYCZDQJFAXQMSE-ATLSCFEFSA-N 2 1 337.508 1.815 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000347901159 445254807 /nfs/dbraw/zinc/25/48/07/445254807.db2.gz NBJSEBYEAWQZLU-XIRDDKMYSA-N 2 1 333.480 1.356 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000347901159 445254809 /nfs/dbraw/zinc/25/48/09/445254809.db2.gz NBJSEBYEAWQZLU-XIRDDKMYSA-N 2 1 333.480 1.356 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000347901159 445254814 /nfs/dbraw/zinc/25/48/14/445254814.db2.gz NBJSEBYEAWQZLU-XIRDDKMYSA-N 2 1 333.480 1.356 20 0 EDADMP Cc1cnc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)nc1N[C@@H]1CCC[NH+](C)[C@H]1C ZINC000343600372 445258391 /nfs/dbraw/zinc/25/83/91/445258391.db2.gz KCICFQZEFITBHL-YLFCFFPRSA-N 2 1 346.523 2.574 20 0 EDADMP Cc1cnc(N[C@@H]2CCC[NH+](C)[C@@H]2C)nc1N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343600372 445258394 /nfs/dbraw/zinc/25/83/94/445258394.db2.gz KCICFQZEFITBHL-YLFCFFPRSA-N 2 1 346.523 2.574 20 0 EDADMP Cc1cnc(N[C@@H]2CCC[NH+](C)[C@@H]2C)nc1N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000343600372 445258398 /nfs/dbraw/zinc/25/83/98/445258398.db2.gz KCICFQZEFITBHL-YLFCFFPRSA-N 2 1 346.523 2.574 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[NH+](C)C1 ZINC000348074644 445264246 /nfs/dbraw/zinc/26/42/46/445264246.db2.gz UGHDUEYHSROQJY-BRWVUGGUSA-N 2 1 338.496 1.364 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[N@H+](C)C1 ZINC000348074644 445264250 /nfs/dbraw/zinc/26/42/50/445264250.db2.gz UGHDUEYHSROQJY-BRWVUGGUSA-N 2 1 338.496 1.364 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[N@@H+](C)C1 ZINC000348074644 445264251 /nfs/dbraw/zinc/26/42/51/445264251.db2.gz UGHDUEYHSROQJY-BRWVUGGUSA-N 2 1 338.496 1.364 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000351768502 445314690 /nfs/dbraw/zinc/31/46/90/445314690.db2.gz WMTBYAAMQIEMKF-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000348377385 445270977 /nfs/dbraw/zinc/27/09/77/445270977.db2.gz MRHGPUQVYNZBGW-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000348377385 445270979 /nfs/dbraw/zinc/27/09/79/445270979.db2.gz MRHGPUQVYNZBGW-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000348377385 445270981 /nfs/dbraw/zinc/27/09/81/445270981.db2.gz MRHGPUQVYNZBGW-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP CC(C)OCC[N@H+](C)C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348163903 445297646 /nfs/dbraw/zinc/29/76/46/445297646.db2.gz FTDRXERIQPJUKF-HUUCEWRRSA-N 2 1 339.459 1.816 20 0 EDADMP CC(C)OCC[N@@H+](C)C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348163903 445297649 /nfs/dbraw/zinc/29/76/49/445297649.db2.gz FTDRXERIQPJUKF-HUUCEWRRSA-N 2 1 339.459 1.816 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000351738943 445301197 /nfs/dbraw/zinc/30/11/97/445301197.db2.gz SVKXFFYMSOGINT-ULQDDVLXSA-N 2 1 339.528 1.137 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000351738943 445301199 /nfs/dbraw/zinc/30/11/99/445301199.db2.gz SVKXFFYMSOGINT-ULQDDVLXSA-N 2 1 339.528 1.137 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000351738943 445301202 /nfs/dbraw/zinc/30/12/02/445301202.db2.gz SVKXFFYMSOGINT-ULQDDVLXSA-N 2 1 339.528 1.137 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000351815903 445331576 /nfs/dbraw/zinc/33/15/76/445331576.db2.gz STRPTJYHQVIWRV-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000354673864 445335643 /nfs/dbraw/zinc/33/56/43/445335643.db2.gz OUMKXBCIFGSPDI-BBWFWOEESA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000354673864 445335645 /nfs/dbraw/zinc/33/56/45/445335645.db2.gz OUMKXBCIFGSPDI-BBWFWOEESA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCNC2=O)CC1)CC1CC1 ZINC000357084739 445417162 /nfs/dbraw/zinc/41/71/62/445417162.db2.gz MMUIXVKTCVWUGX-UHFFFAOYSA-N 2 1 336.480 1.372 20 0 EDADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)no1 ZINC000357103905 445430370 /nfs/dbraw/zinc/43/03/70/445430370.db2.gz JWLPVUUSYQFIKH-JKSUJKDBSA-N 2 1 328.416 1.998 20 0 EDADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)no1 ZINC000357103905 445430376 /nfs/dbraw/zinc/43/03/76/445430376.db2.gz JWLPVUUSYQFIKH-JKSUJKDBSA-N 2 1 328.416 1.998 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](COC)Cc2ccccc2)CC1 ZINC000355794570 445481447 /nfs/dbraw/zinc/48/14/47/445481447.db2.gz ZZGPARDDWMKUPS-LJQANCHMSA-N 2 1 347.503 1.776 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](COC)Cc2ccccc2)CC1 ZINC000355794570 445481453 /nfs/dbraw/zinc/48/14/53/445481453.db2.gz ZZGPARDDWMKUPS-LJQANCHMSA-N 2 1 347.503 1.776 20 0 EDADMP Cc1ncc(C[NH2+]C[C@@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)cn1 ZINC000354936372 445435581 /nfs/dbraw/zinc/43/55/81/445435581.db2.gz WPZZISOCBWNHQY-CABCVRRESA-N 2 1 345.426 1.348 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000352019287 445443644 /nfs/dbraw/zinc/44/36/44/445443644.db2.gz DXSUOFZQLZITLM-FQEVSTJZSA-N 2 1 343.471 1.718 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000352019287 445443647 /nfs/dbraw/zinc/44/36/47/445443647.db2.gz DXSUOFZQLZITLM-FQEVSTJZSA-N 2 1 343.471 1.718 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@]3(C)CCCO)cn2)CC1 ZINC000349148213 445522941 /nfs/dbraw/zinc/52/29/41/445522941.db2.gz JOKFVANNCFSJBV-GOSISDBHSA-N 2 1 333.480 1.355 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@]3(C)CCCO)cn2)CC1 ZINC000349148213 445522943 /nfs/dbraw/zinc/52/29/43/445522943.db2.gz JOKFVANNCFSJBV-GOSISDBHSA-N 2 1 333.480 1.355 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000362749749 445530960 /nfs/dbraw/zinc/53/09/60/445530960.db2.gz CXMAOLZKWBVWMR-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP O=C1CNCCN1[C@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000362671111 445491007 /nfs/dbraw/zinc/49/10/07/445491007.db2.gz KREOPDCCEYMIQD-HNNXBMFYSA-N 2 1 331.391 1.968 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000349404128 445578517 /nfs/dbraw/zinc/57/85/17/445578517.db2.gz FCFNZSBGWGKUAJ-IAGOWNOFSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000360135424 445587738 /nfs/dbraw/zinc/58/77/38/445587738.db2.gz JHVSKJOFTVAKKC-OAHLLOKOSA-N 2 1 328.501 1.250 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000358223232 445612628 /nfs/dbraw/zinc/61/26/28/445612628.db2.gz AICMKTOYPDSESY-UHOSZYNNSA-N 2 1 333.476 1.105 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000358223232 445612631 /nfs/dbraw/zinc/61/26/31/445612631.db2.gz AICMKTOYPDSESY-UHOSZYNNSA-N 2 1 333.476 1.105 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000362993060 445641711 /nfs/dbraw/zinc/64/17/11/445641711.db2.gz CNKICRXEGIMBGB-WMZOPIPTSA-N 2 1 347.507 1.933 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000353500056 445631866 /nfs/dbraw/zinc/63/18/66/445631866.db2.gz FLSUYKOYKUVFEY-UHFFFAOYSA-N 2 1 332.448 1.087 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000349660469 445637887 /nfs/dbraw/zinc/63/78/87/445637887.db2.gz BZBLLKIPJVKATB-ZWKOTPCHSA-N 2 1 348.491 1.179 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000360146909 445594933 /nfs/dbraw/zinc/59/49/33/445594933.db2.gz DZNIXURGDQDAAC-HNAYVOBHSA-N 2 1 345.487 1.816 20 0 EDADMP CC(C)CNC(=O)NC(=O)C[N@H+](C)CCCN(C)Cc1ccco1 ZINC000353555563 445653913 /nfs/dbraw/zinc/65/39/13/445653913.db2.gz PGKLSISYIGRFFR-UHFFFAOYSA-N 2 1 338.452 1.515 20 0 EDADMP CC(C)CNC(=O)NC(=O)C[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000353555563 445653919 /nfs/dbraw/zinc/65/39/19/445653919.db2.gz PGKLSISYIGRFFR-UHFFFAOYSA-N 2 1 338.452 1.515 20 0 EDADMP CC(C)(CNC(=O)CCCC[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000360301120 445685805 /nfs/dbraw/zinc/68/58/05/445685805.db2.gz QNPNPZXEBQSGFV-UHFFFAOYSA-N 2 1 325.497 1.727 20 0 EDADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)CN1CC[NH+](C)CC1 ZINC000358646509 445692910 /nfs/dbraw/zinc/69/29/10/445692910.db2.gz IPVONOBTSOWXFN-KRWDZBQOSA-N 2 1 338.540 1.498 20 0 EDADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000358650681 445694583 /nfs/dbraw/zinc/69/45/83/445694583.db2.gz POCZFZTWUJQNTO-UHFFFAOYSA-N 2 1 339.528 1.140 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000358652171 445695475 /nfs/dbraw/zinc/69/54/75/445695475.db2.gz SGFYRYSQFATKPP-QGZVFWFLSA-N 2 1 336.480 1.002 20 0 EDADMP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360328390 445696458 /nfs/dbraw/zinc/69/64/58/445696458.db2.gz FVXYOSWJSYGVPO-NVXWUHKLSA-N 2 1 339.505 1.426 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000349938968 445728375 /nfs/dbraw/zinc/72/83/75/445728375.db2.gz VSZPYYNYRURAHU-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]([NH3+])CC(N)=O)c2)CC1 ZINC000353740231 445734180 /nfs/dbraw/zinc/73/41/80/445734180.db2.gz CRURRFCBVIDWFR-INIZCTEOSA-N 2 1 332.448 1.102 20 0 EDADMP Cc1nc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nc(N(C)C)n1 ZINC000360876975 445737049 /nfs/dbraw/zinc/73/70/49/445737049.db2.gz MPDLLTLNCPVOCJ-CJNGLKHVSA-N 2 1 326.448 2.178 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000360889442 445737339 /nfs/dbraw/zinc/73/73/39/445737339.db2.gz NTFZFLGJKCMMES-VQHPVUNQSA-N 2 1 336.480 1.118 20 0 EDADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000360889442 445737342 /nfs/dbraw/zinc/73/73/42/445737342.db2.gz NTFZFLGJKCMMES-VQHPVUNQSA-N 2 1 336.480 1.118 20 0 EDADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000360889442 445737344 /nfs/dbraw/zinc/73/73/44/445737344.db2.gz NTFZFLGJKCMMES-VQHPVUNQSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC000358721499 445742180 /nfs/dbraw/zinc/74/21/80/445742180.db2.gz NIDCXJCGWASPEC-AYBZRNKSSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000358721499 445742182 /nfs/dbraw/zinc/74/21/82/445742182.db2.gz NIDCXJCGWASPEC-AYBZRNKSSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000358721499 445742187 /nfs/dbraw/zinc/74/21/87/445742187.db2.gz NIDCXJCGWASPEC-AYBZRNKSSA-N 2 1 346.475 1.015 20 0 EDADMP CCNC(=O)NC(=O)C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000358773440 445768241 /nfs/dbraw/zinc/76/82/41/445768241.db2.gz VFRXZTZNORERBI-UHFFFAOYSA-N 2 1 340.512 1.912 20 0 EDADMP CCN(C)C(=O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358869722 445822216 /nfs/dbraw/zinc/82/22/16/445822216.db2.gz GNARGIRHYSPADQ-IYBDPMFKSA-N 2 1 341.496 1.055 20 0 EDADMP CCN(C)C(=O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358869722 445822232 /nfs/dbraw/zinc/82/22/32/445822232.db2.gz GNARGIRHYSPADQ-IYBDPMFKSA-N 2 1 341.496 1.055 20 0 EDADMP CC(C)Oc1ccccc1CN1CCO[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000363493128 445829961 /nfs/dbraw/zinc/82/99/61/445829961.db2.gz MABXAGYCIQUUCF-LJQANCHMSA-N 2 1 347.503 1.922 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000363379261 445782878 /nfs/dbraw/zinc/78/28/78/445782878.db2.gz NLCIROGOLKMIDK-QGZVFWFLSA-N 2 1 341.459 2.048 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000363379261 445782881 /nfs/dbraw/zinc/78/28/81/445782881.db2.gz NLCIROGOLKMIDK-QGZVFWFLSA-N 2 1 341.459 2.048 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000356480892 445813911 /nfs/dbraw/zinc/81/39/11/445813911.db2.gz QXDGADWXIDYPLN-INIZCTEOSA-N 2 1 334.464 1.513 20 0 EDADMP C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])CN1CC[NH+](C)CC1 ZINC000354068090 445884684 /nfs/dbraw/zinc/88/46/84/445884684.db2.gz KNTCJGHUDZOREQ-ZGOKBZQCSA-N 2 1 336.524 1.140 20 0 EDADMP CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000354014230 445855998 /nfs/dbraw/zinc/85/59/98/445855998.db2.gz KXZULWWYDMICPZ-HZPDHXFCSA-N 2 1 349.479 1.036 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)COC(F)F ZINC000354019468 445858050 /nfs/dbraw/zinc/85/80/50/445858050.db2.gz YQZKSVOFXPUCQM-UHFFFAOYSA-N 2 1 347.450 1.880 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000361765351 445926723 /nfs/dbraw/zinc/92/67/23/445926723.db2.gz OTIPAQHJADXXOQ-UHFFFAOYSA-N 2 1 333.411 1.762 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000361765351 445926727 /nfs/dbraw/zinc/92/67/27/445926727.db2.gz OTIPAQHJADXXOQ-UHFFFAOYSA-N 2 1 333.411 1.762 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H]1c1ccc(F)cc1 ZINC000364099821 445895277 /nfs/dbraw/zinc/89/52/77/445895277.db2.gz ITOUCZFPMBBXNW-RDJZCZTQSA-N 2 1 343.406 1.370 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H]1c1ccc(F)cc1 ZINC000364099821 445895282 /nfs/dbraw/zinc/89/52/82/445895282.db2.gz ITOUCZFPMBBXNW-RDJZCZTQSA-N 2 1 343.406 1.370 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000582290527 325813466 /nfs/dbraw/zinc/81/34/66/325813466.db2.gz AXXZDSSFPJGUAU-GASCZTMLSA-N 2 1 343.406 1.681 20 0 EDADMP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365088795 446016674 /nfs/dbraw/zinc/01/66/74/446016674.db2.gz OHQREXSVOQXFOB-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000583261046 326037253 /nfs/dbraw/zinc/03/72/53/326037253.db2.gz RSKAVFRPZMDMHQ-QWHCGFSZSA-N 2 1 337.386 1.098 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000583559623 326095601 /nfs/dbraw/zinc/09/56/01/326095601.db2.gz DSECFLQXPQHJMG-NEWSRXKRSA-N 2 1 334.460 1.789 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000583559623 326095604 /nfs/dbraw/zinc/09/56/04/326095604.db2.gz DSECFLQXPQHJMG-NEWSRXKRSA-N 2 1 334.460 1.789 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1cccc(C(N)=O)c1 ZINC000373153219 446062533 /nfs/dbraw/zinc/06/25/33/446062533.db2.gz LVLYQDHWKVFEHQ-AYOQOUSVSA-N 2 1 345.487 1.807 20 0 EDADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584182984 326217066 /nfs/dbraw/zinc/21/70/66/326217066.db2.gz QTXPUYVFVMUMKO-WBVHZDCISA-N 2 1 341.883 1.762 20 0 EDADMP CCCn1ccnc1CCC[N@@H+](C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000584268395 326230616 /nfs/dbraw/zinc/23/06/16/326230616.db2.gz AVWYQZGFRWJUQP-UHFFFAOYSA-N 2 1 346.479 1.550 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000584268395 326230619 /nfs/dbraw/zinc/23/06/19/326230619.db2.gz AVWYQZGFRWJUQP-UHFFFAOYSA-N 2 1 346.479 1.550 20 0 EDADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CS1 ZINC000365178433 446067308 /nfs/dbraw/zinc/06/73/08/446067308.db2.gz NPEWELNFXHGXLP-BBWFWOEESA-N 2 1 327.538 1.513 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](CC(N)=O)[C@@H](C)c2ccccc2)CC1 ZINC000351473759 446075968 /nfs/dbraw/zinc/07/59/68/446075968.db2.gz WOUQCFXSCJTBSD-SFHVURJKSA-N 2 1 346.519 1.951 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000361930041 446078434 /nfs/dbraw/zinc/07/84/34/446078434.db2.gz OZNNLXUBYKSXRP-NVXWUHKLSA-N 3 1 338.540 1.543 20 0 EDADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000361930041 446078439 /nfs/dbraw/zinc/07/84/39/446078439.db2.gz OZNNLXUBYKSXRP-NVXWUHKLSA-N 2 1 338.540 1.543 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000351485964 446086225 /nfs/dbraw/zinc/08/62/25/446086225.db2.gz VEQYYRASIXCABZ-NXHRZFHOSA-N 2 1 331.460 1.169 20 0 EDADMP c1ccc(-c2nnn(CCCCC[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000359270626 446108257 /nfs/dbraw/zinc/10/82/57/446108257.db2.gz FPJSBPLLKHVPBS-CALCHBBNSA-N 2 1 326.448 1.662 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000366269994 446118501 /nfs/dbraw/zinc/11/85/01/446118501.db2.gz VRJWDWPJZBHGRX-SJLPKXTDSA-N 2 1 338.496 1.080 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)CC2)[nH+]c1 ZINC000365354137 446164335 /nfs/dbraw/zinc/16/43/35/446164335.db2.gz JHSXWMMBXDTIOO-NVXWUHKLSA-N 2 1 328.460 1.817 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000369661124 446142125 /nfs/dbraw/zinc/14/21/25/446142125.db2.gz OWIRWSQIHJQXID-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP CC[NH+]1CCC([N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C2CC2)CC1 ZINC000370288094 446215520 /nfs/dbraw/zinc/21/55/20/446215520.db2.gz LNQXSEUKVFKOCD-CQSZACIVSA-N 2 1 329.510 1.217 20 0 EDADMP CC[NH+]1CCC([N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C2CC2)CC1 ZINC000370288094 446215523 /nfs/dbraw/zinc/21/55/23/446215523.db2.gz LNQXSEUKVFKOCD-CQSZACIVSA-N 2 1 329.510 1.217 20 0 EDADMP CC[NH+](CC)CC(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000370307019 446224467 /nfs/dbraw/zinc/22/44/67/446224467.db2.gz YESIRBCJLIJGEC-QFBILLFUSA-N 2 1 349.523 1.993 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000359566820 446294804 /nfs/dbraw/zinc/29/48/04/446294804.db2.gz BCPRMLXYKBOWPP-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000359566820 446294806 /nfs/dbraw/zinc/29/48/06/446294806.db2.gz BCPRMLXYKBOWPP-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@H+]1CCc2ccccc2C1 ZINC000417338818 446347720 /nfs/dbraw/zinc/34/77/20/446347720.db2.gz KPLYYDDLSUFYQW-LESCRADOSA-N 2 1 328.460 1.437 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(c2cncc(-n3cc[nH+]c3C)n2)C1 ZINC000362366085 446336442 /nfs/dbraw/zinc/33/64/42/446336442.db2.gz SGFSQNQJXXLAOP-INIZCTEOSA-N 2 1 344.463 1.908 20 0 EDADMP C[NH+]1CCC2(CCCN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C2)CC1 ZINC000374149473 446354629 /nfs/dbraw/zinc/35/46/29/446354629.db2.gz AWVPGQOLVLGSJP-GOSISDBHSA-N 2 1 349.519 1.964 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417500448 446356232 /nfs/dbraw/zinc/35/62/32/446356232.db2.gz INWOQVZJTKRGPO-ROUUACIJSA-N 2 1 332.492 1.834 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000417511790 446358813 /nfs/dbraw/zinc/35/88/13/446358813.db2.gz ZRXLBOCFGYAYMP-SJLPKXTDSA-N 2 1 330.476 1.554 20 0 EDADMP CC[C@H](NC(=O)NCCCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417895491 446378912 /nfs/dbraw/zinc/37/89/12/446378912.db2.gz OLMXQJSGXSFFMR-ZWKOTPCHSA-N 2 1 348.491 1.704 20 0 EDADMP CC[C@H](NC(=O)NCCCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417895491 446378920 /nfs/dbraw/zinc/37/89/20/446378920.db2.gz OLMXQJSGXSFFMR-ZWKOTPCHSA-N 2 1 348.491 1.704 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000417899274 446379691 /nfs/dbraw/zinc/37/96/91/446379691.db2.gz YMKOLTQTWGXDSO-AEFFLSMTSA-N 2 1 336.524 1.995 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000417907420 446382384 /nfs/dbraw/zinc/38/23/84/446382384.db2.gz FAGOMEWWIQQWAS-KBPBESRZSA-N 2 1 332.439 1.651 20 0 EDADMP COCCC[N@@H+](C)CCN[C@@H]1CC[NH+](C[C@H]2CCCO2)C[C@H]1C ZINC000370682223 446384216 /nfs/dbraw/zinc/38/42/16/446384216.db2.gz MXOIGBMRNRXOKK-KZNAEPCWSA-N 2 1 327.513 1.434 20 0 EDADMP COCCC[NH+](C)CCN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000370682223 446384223 /nfs/dbraw/zinc/38/42/23/446384223.db2.gz MXOIGBMRNRXOKK-KZNAEPCWSA-N 2 1 327.513 1.434 20 0 EDADMP COCCC[NH+](C)CCN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000370682223 446384226 /nfs/dbraw/zinc/38/42/26/446384226.db2.gz MXOIGBMRNRXOKK-KZNAEPCWSA-N 2 1 327.513 1.434 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000365903636 446395070 /nfs/dbraw/zinc/39/50/70/446395070.db2.gz CECZFVXPWKVXPZ-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP OC[C@H]1CCCCN1c1cc(NC[C@@H]2CC[NH2+]CC2(F)F)ncn1 ZINC000420288269 446452324 /nfs/dbraw/zinc/45/23/24/446452324.db2.gz RXDQKDHELHGXLZ-QWHCGFSZSA-N 2 1 341.406 1.485 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418076093 446432377 /nfs/dbraw/zinc/43/23/77/446432377.db2.gz QYBGEJRFBPGRNN-WBVHZDCISA-N 2 1 334.464 1.172 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)CC[C@H]3CCCC[NH+]3C)CC2)cn1 ZINC000431796259 446434858 /nfs/dbraw/zinc/43/48/58/446434858.db2.gz JXFSFINEVMRYKH-GOSISDBHSA-N 2 1 347.507 1.719 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)CC[C@H]3CCCC[NH+]3C)CC2)cn1 ZINC000431796259 446434867 /nfs/dbraw/zinc/43/48/67/446434867.db2.gz JXFSFINEVMRYKH-GOSISDBHSA-N 2 1 347.507 1.719 20 0 EDADMP Cn1cc(C[NH+]2CCCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000431796259 446434876 /nfs/dbraw/zinc/43/48/76/446434876.db2.gz JXFSFINEVMRYKH-GOSISDBHSA-N 2 1 347.507 1.719 20 0 EDADMP Cn1cc(C[NH+]2CCCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000431796259 446434888 /nfs/dbraw/zinc/43/48/88/446434888.db2.gz JXFSFINEVMRYKH-GOSISDBHSA-N 2 1 347.507 1.719 20 0 EDADMP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCC(=O)N2CCN(C)CC2)n1 ZINC000374902165 446445889 /nfs/dbraw/zinc/44/58/89/446445889.db2.gz LZVJIIZAEQJHJT-KRWDZBQOSA-N 2 1 345.491 1.430 20 0 EDADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000374902165 446445896 /nfs/dbraw/zinc/44/58/96/446445896.db2.gz LZVJIIZAEQJHJT-KRWDZBQOSA-N 2 1 345.491 1.430 20 0 EDADMP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000374902165 446445902 /nfs/dbraw/zinc/44/59/02/446445902.db2.gz LZVJIIZAEQJHJT-KRWDZBQOSA-N 3 1 345.491 1.430 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)N(CC[NH3+])Cc2ccccc2)CC1(C)C ZINC000418180365 446448183 /nfs/dbraw/zinc/44/81/83/446448183.db2.gz YCSAGICGLAOCLQ-UHFFFAOYSA-N 2 1 347.507 1.183 20 0 EDADMP O=C([C@@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1)N1CC[NH2+]CC1 ZINC000420281264 446448630 /nfs/dbraw/zinc/44/86/30/446448630.db2.gz ABYXQOHIQHSNDJ-LSDHHAIUSA-N 2 1 329.435 1.956 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)cc1)C(C)C ZINC000366994159 446450081 /nfs/dbraw/zinc/45/00/81/446450081.db2.gz GXIDQNXIQDADIG-MSOLQXFVSA-N 2 1 331.460 1.730 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417982346 446406410 /nfs/dbraw/zinc/40/64/10/446406410.db2.gz AAQCONAKNDMWKI-FUHWJXTLSA-N 2 1 348.491 1.432 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417994454 446410001 /nfs/dbraw/zinc/41/00/01/446410001.db2.gz YZMIMDYOLHTLQN-BPQIPLTHSA-N 2 1 330.476 1.758 20 0 EDADMP C[C@H](NC(=O)NC[C@H]([NH3+])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418012647 446415494 /nfs/dbraw/zinc/41/54/94/446415494.db2.gz SJLMYSWHAQGMDP-WBAXXEDZSA-N 2 1 330.476 1.934 20 0 EDADMP CCn1cncc1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000418020893 446417147 /nfs/dbraw/zinc/41/71/47/446417147.db2.gz OKSNZBRHSWXQGT-GJZGRUSLSA-N 2 1 334.443 1.681 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000418017697 446417843 /nfs/dbraw/zinc/41/78/43/446417843.db2.gz SWSLQXGMGCKQRV-AHCXZYCDSA-N 2 1 330.476 1.886 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376365725 446456515 /nfs/dbraw/zinc/45/65/15/446456515.db2.gz HCCCEWGICMILGO-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000420306188 446469692 /nfs/dbraw/zinc/46/96/92/446469692.db2.gz AAISTPXVCDOAAL-VQIMIIECSA-N 3 1 349.519 1.762 20 0 EDADMP COc1ccc([C@H](CN)C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000420306188 446469701 /nfs/dbraw/zinc/46/97/01/446469701.db2.gz AAISTPXVCDOAAL-VQIMIIECSA-N 2 1 349.519 1.762 20 0 EDADMP COc1ccc([C@H](CN)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000420306188 446469711 /nfs/dbraw/zinc/46/97/11/446469711.db2.gz AAISTPXVCDOAAL-VQIMIIECSA-N 2 1 349.519 1.762 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000420309678 446473015 /nfs/dbraw/zinc/47/30/15/446473015.db2.gz FALDSEMPWLKSEI-RBUKOAKNSA-N 2 1 347.503 1.924 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)CC[S@](C)=O)CC2)CC1 ZINC000367028179 446474443 /nfs/dbraw/zinc/47/44/43/446474443.db2.gz IHIHWXDFQLOZRX-QHCPKHFHSA-N 2 1 343.537 1.068 20 0 EDADMP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420325471 446491027 /nfs/dbraw/zinc/49/10/27/446491027.db2.gz IKXSLVZGQNKBDT-CVEARBPZSA-N 2 1 331.460 1.725 20 0 EDADMP C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420325471 446491033 /nfs/dbraw/zinc/49/10/33/446491033.db2.gz IKXSLVZGQNKBDT-CVEARBPZSA-N 2 1 331.460 1.725 20 0 EDADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420325475 446491646 /nfs/dbraw/zinc/49/16/46/446491646.db2.gz IKXSLVZGQNKBDT-JKSUJKDBSA-N 2 1 331.460 1.725 20 0 EDADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420325475 446491652 /nfs/dbraw/zinc/49/16/52/446491652.db2.gz IKXSLVZGQNKBDT-JKSUJKDBSA-N 2 1 331.460 1.725 20 0 EDADMP COCC[N@H+]1CC[C@H](N[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C1 ZINC000423340735 446496335 /nfs/dbraw/zinc/49/63/35/446496335.db2.gz TUEVLRWYYQFVPV-UHOSZYNNSA-N 2 1 333.476 1.451 20 0 EDADMP CC[C@@H]1CN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC[N@H+]1C[C@@H](C)O ZINC000420325933 446492750 /nfs/dbraw/zinc/49/27/50/446492750.db2.gz WWJUOBGZSWSYRD-KBAYOESNSA-N 2 1 335.492 1.515 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326252 446493193 /nfs/dbraw/zinc/49/31/93/446493193.db2.gz JQKWRWDRICLPTK-LSDHHAIUSA-N 2 1 334.464 1.173 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 ZINC000423362449 446501719 /nfs/dbraw/zinc/50/17/19/446501719.db2.gz HVSHOKBJBDRJJL-JJRVBVJISA-N 2 1 327.419 1.754 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418332539 446503817 /nfs/dbraw/zinc/50/38/17/446503817.db2.gz SVHXZBWLSQFOBX-KRWDZBQOSA-N 2 1 333.480 1.687 20 0 EDADMP CN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418336938 446504866 /nfs/dbraw/zinc/50/48/66/446504866.db2.gz INKUUVWRTLLVOD-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H](NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418338371 446507688 /nfs/dbraw/zinc/50/76/88/446507688.db2.gz JTKTXBCRJLQSGN-RDJZCZTQSA-N 2 1 330.476 1.900 20 0 EDADMP CC[C@H]1CN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418343799 446509057 /nfs/dbraw/zinc/50/90/57/446509057.db2.gz JZFKEAKTMGGWHC-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1(C[NH3+])CCC1 ZINC000420329183 446497004 /nfs/dbraw/zinc/49/70/04/446497004.db2.gz NVINPSGYEMXUTK-UHFFFAOYSA-N 2 1 344.459 1.955 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1(C[NH3+])CCC1 ZINC000420329183 446497011 /nfs/dbraw/zinc/49/70/11/446497011.db2.gz NVINPSGYEMXUTK-UHFFFAOYSA-N 2 1 344.459 1.955 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000423359841 446499438 /nfs/dbraw/zinc/49/94/38/446499438.db2.gz PQXSYWXVMRWVPV-NVXWUHKLSA-N 2 1 333.480 1.658 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329525 446499445 /nfs/dbraw/zinc/49/94/45/446499445.db2.gz ONDFPSRYJBCDAE-TWMKSMIVSA-N 2 1 337.508 1.757 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329525 446499450 /nfs/dbraw/zinc/49/94/50/446499450.db2.gz ONDFPSRYJBCDAE-TWMKSMIVSA-N 2 1 337.508 1.757 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1OC ZINC000420382279 446558989 /nfs/dbraw/zinc/55/89/89/446558989.db2.gz POGJQPWGYXDLOU-HOCLYGCPSA-N 2 1 349.475 1.579 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1OC ZINC000420382279 446558995 /nfs/dbraw/zinc/55/89/95/446558995.db2.gz POGJQPWGYXDLOU-HOCLYGCPSA-N 2 1 349.475 1.579 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1OC ZINC000420382277 446559006 /nfs/dbraw/zinc/55/90/06/446559006.db2.gz POGJQPWGYXDLOU-GOEBONIOSA-N 2 1 349.475 1.579 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1OC ZINC000420382277 446559008 /nfs/dbraw/zinc/55/90/08/446559008.db2.gz POGJQPWGYXDLOU-GOEBONIOSA-N 2 1 349.475 1.579 20 0 EDADMP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420346215 446518482 /nfs/dbraw/zinc/51/84/82/446518482.db2.gz CLHMTGJELYEPLZ-AEFFLSMTSA-N 2 1 330.476 1.013 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000418369719 446518614 /nfs/dbraw/zinc/51/86/14/446518614.db2.gz OAVVNAGJTHUMDN-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP O=C(N[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418376324 446519408 /nfs/dbraw/zinc/51/94/08/446519408.db2.gz GBLAARUFBLFLGP-GBESFXJTSA-N 2 1 342.487 1.902 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NC[C@H]([NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000418498960 446566638 /nfs/dbraw/zinc/56/66/38/446566638.db2.gz NHIKYZFHTUEHCU-VBQJREDUSA-N 2 1 338.496 1.255 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349701 446527583 /nfs/dbraw/zinc/52/75/83/446527583.db2.gz QDPBTMCLTRNPOG-GXTWGEPZSA-N 2 1 338.402 1.271 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349701 446527589 /nfs/dbraw/zinc/52/75/89/446527589.db2.gz QDPBTMCLTRNPOG-GXTWGEPZSA-N 2 1 338.402 1.271 20 0 EDADMP C[N@H+]1CCN(C(=O)c2cn(CCCC[NH3+])nn2)C2(CCCCC2)C1 ZINC000423426864 446530954 /nfs/dbraw/zinc/53/09/54/446530954.db2.gz IJOAXALSPFYFII-UHFFFAOYSA-N 2 1 334.468 1.108 20 0 EDADMP COC(=O)c1ccc(N2CC[N@@H+](CC[C@H]3CC[NH2+]C3)[C@H](C)C2)cc1 ZINC000420357978 446538608 /nfs/dbraw/zinc/53/86/08/446538608.db2.gz IJXPECDPUCXDPA-HZPDHXFCSA-N 2 1 331.460 1.983 20 0 EDADMP Cc1cccc(C)c1OCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000411431380 446538813 /nfs/dbraw/zinc/53/88/13/446538813.db2.gz PWGCRKPKSGUCIM-UHFFFAOYSA-N 2 1 348.487 1.841 20 0 EDADMP COCC[N@H+]1CC[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000423467532 446549238 /nfs/dbraw/zinc/54/92/38/446549238.db2.gz JGRXEQXOBQTOSI-YTQUADARSA-N 2 1 335.467 1.829 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418604697 446611190 /nfs/dbraw/zinc/61/11/90/446611190.db2.gz YALSUTSGXGXPBH-GVDBMIGSSA-N 3 1 339.528 1.042 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000418607845 446613050 /nfs/dbraw/zinc/61/30/50/446613050.db2.gz XXVGCAIRLQBUQF-JZWPEALZSA-N 2 1 326.485 1.268 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@H+]1CCOC ZINC000418623582 446620277 /nfs/dbraw/zinc/62/02/77/446620277.db2.gz OFKGBOGCUVMJKI-IRXDYDNUSA-N 2 1 340.512 1.646 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000418505976 446570112 /nfs/dbraw/zinc/57/01/12/446570112.db2.gz GTMRSLJNPKJIGK-QGZVFWFLSA-N 2 1 348.491 1.386 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420404994 446578530 /nfs/dbraw/zinc/57/85/30/446578530.db2.gz MPHLCHKRILVKLW-MCIONIFRSA-N 2 1 339.430 1.929 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420404994 446578535 /nfs/dbraw/zinc/57/85/35/446578535.db2.gz MPHLCHKRILVKLW-MCIONIFRSA-N 2 1 339.430 1.929 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000420404595 446578587 /nfs/dbraw/zinc/57/85/87/446578587.db2.gz MHNSJSJSWGMTSD-IAGOWNOFSA-N 2 1 332.492 1.546 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000420404595 446578591 /nfs/dbraw/zinc/57/85/91/446578591.db2.gz MHNSJSJSWGMTSD-IAGOWNOFSA-N 2 1 332.492 1.546 20 0 EDADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418539625 446586239 /nfs/dbraw/zinc/58/62/39/446586239.db2.gz NHSMJMBXJXJGRA-UHFFFAOYSA-N 2 1 340.418 1.886 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1CCOC ZINC000418575366 446601054 /nfs/dbraw/zinc/60/10/54/446601054.db2.gz WNSZXHACXRFIGW-BZUAXINKSA-N 2 1 326.485 1.399 20 0 EDADMP CN1CCN(C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)CC1 ZINC000376615771 446606067 /nfs/dbraw/zinc/60/60/67/446606067.db2.gz SBGDWZJIIZAPEJ-CEXWTWQISA-N 2 1 343.471 1.265 20 0 EDADMP C[C@@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cn[nH]c1 ZINC000371086831 446619924 /nfs/dbraw/zinc/61/99/24/446619924.db2.gz NBZJJBYECPNJPO-KTFSGNIMSA-N 2 1 346.479 1.423 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@]2(COC)CCC[NH2+]2)[C@@H](C)C1 ZINC000418658955 446637328 /nfs/dbraw/zinc/63/73/28/446637328.db2.gz VBIXODLUDFRHGR-ZOBUZTSGSA-N 2 1 326.485 1.127 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000434278916 446638197 /nfs/dbraw/zinc/63/81/97/446638197.db2.gz GPYQXRUFSXCGQV-JKSUJKDBSA-N 2 1 340.512 1.611 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000434278916 446638204 /nfs/dbraw/zinc/63/82/04/446638204.db2.gz GPYQXRUFSXCGQV-JKSUJKDBSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](CCCC[NH3+])NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000418698569 446653335 /nfs/dbraw/zinc/65/33/35/446653335.db2.gz ODDWENKPMKTZFX-DLBZAZTESA-N 2 1 339.528 1.315 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000418730469 446657722 /nfs/dbraw/zinc/65/77/22/446657722.db2.gz SGUAUYSIWWUHMR-LSDHHAIUSA-N 2 1 328.501 1.502 20 0 EDADMP CCN(C(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418754163 446672662 /nfs/dbraw/zinc/67/26/62/446672662.db2.gz ASRRJKSXCHXRHY-QZTJIDSGSA-N 2 1 346.475 1.281 20 0 EDADMP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418622575 446620968 /nfs/dbraw/zinc/62/09/68/446620968.db2.gz VBNFIKOVHGXELL-UWWQBHOKSA-N 2 1 347.507 1.979 20 0 EDADMP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418622575 446620977 /nfs/dbraw/zinc/62/09/77/446620977.db2.gz VBNFIKOVHGXELL-UWWQBHOKSA-N 2 1 347.507 1.979 20 0 EDADMP CN(C(=O)NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000418645831 446629928 /nfs/dbraw/zinc/62/99/28/446629928.db2.gz WPBDSUVFXLZTEH-AEFFLSMTSA-N 2 1 328.460 1.752 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@]2(COC)CCC[NH2+]2)C[C@H]1C ZINC000418649949 446633011 /nfs/dbraw/zinc/63/30/11/446633011.db2.gz FEYZCHQDMGRGSL-VYDXJSESSA-N 2 1 326.485 1.269 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)cn1 ZINC000423761133 446690656 /nfs/dbraw/zinc/69/06/56/446690656.db2.gz RCEMJFKJSCXPKJ-IRXDYDNUSA-N 2 1 333.480 1.362 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)cn1 ZINC000423761133 446690662 /nfs/dbraw/zinc/69/06/62/446690662.db2.gz RCEMJFKJSCXPKJ-IRXDYDNUSA-N 2 1 333.480 1.362 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)C[C@@H]3CCC[NH2+]CC3)CC2)cn1 ZINC000423762131 446691282 /nfs/dbraw/zinc/69/12/82/446691282.db2.gz SGEVEVSWNAPMBI-QGZVFWFLSA-N 2 1 347.507 1.717 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)C[C@@H]3CCC[NH2+]CC3)CC2)cn1 ZINC000423762131 446691288 /nfs/dbraw/zinc/69/12/88/446691288.db2.gz SGEVEVSWNAPMBI-QGZVFWFLSA-N 2 1 347.507 1.717 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@@H]([NH3+])c2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000423879300 446738680 /nfs/dbraw/zinc/73/86/80/446738680.db2.gz QWBKZZKFBUKEDU-NXHRZFHOSA-N 2 1 331.460 1.646 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418781342 446699244 /nfs/dbraw/zinc/69/92/44/446699244.db2.gz ZEJAXXMVZYHPCE-CABCVRRESA-N 2 1 326.485 1.005 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000423818505 446709028 /nfs/dbraw/zinc/70/90/28/446709028.db2.gz DOZKFGCPKHKDEW-RTBURBONSA-N 2 1 345.487 1.863 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000423818505 446709035 /nfs/dbraw/zinc/70/90/35/446709035.db2.gz DOZKFGCPKHKDEW-RTBURBONSA-N 2 1 345.487 1.863 20 0 EDADMP c1cnn(CCCCC[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)c1 ZINC000375334548 446730197 /nfs/dbraw/zinc/73/01/97/446730197.db2.gz IRBXFGIFVWKIFB-UHFFFAOYSA-N 2 1 349.523 1.393 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000375365341 446750446 /nfs/dbraw/zinc/75/04/46/446750446.db2.gz GBISHZQVPPBKSB-KRWDZBQOSA-N 2 1 331.460 1.475 20 0 EDADMP CC(C)Cn1cc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000376866308 446763611 /nfs/dbraw/zinc/76/36/11/446763611.db2.gz HYEDJUUNCDREIP-MRXNPFEDSA-N 2 1 333.480 1.437 20 0 EDADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000423930149 446781735 /nfs/dbraw/zinc/78/17/35/446781735.db2.gz JZQIYLWVIINCQG-LJIGWXMPSA-N 2 1 333.480 1.307 20 0 EDADMP C[C@H](c1cccnc1)N1C(=O)C[C@H](N2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000368323356 446785749 /nfs/dbraw/zinc/78/57/49/446785749.db2.gz YRMJVWNPEUBSHS-ALKREAHSSA-N 2 1 342.443 1.298 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000424037485 446829231 /nfs/dbraw/zinc/82/92/31/446829231.db2.gz URCOQRKKSRCPJN-SQNIBIBYSA-N 2 1 349.450 1.578 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000424037485 446829240 /nfs/dbraw/zinc/82/92/40/446829240.db2.gz URCOQRKKSRCPJN-SQNIBIBYSA-N 2 1 349.450 1.578 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CCC3(CC[NH2+]3)CC2)c2ccccc2)CC1 ZINC000424058547 446832380 /nfs/dbraw/zinc/83/23/80/446832380.db2.gz VBUUQWLWXMPGKJ-SFHVURJKSA-N 2 1 342.487 1.330 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC000368416141 446848620 /nfs/dbraw/zinc/84/86/20/446848620.db2.gz HXESPENHTWQCGV-SQNIBIBYSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC000368416141 446848625 /nfs/dbraw/zinc/84/86/25/446848625.db2.gz HXESPENHTWQCGV-SQNIBIBYSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000368421017 446851849 /nfs/dbraw/zinc/85/18/49/446851849.db2.gz BCKUWMHFVGGHBS-LPHOPBHVSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000368421017 446851855 /nfs/dbraw/zinc/85/18/55/446851855.db2.gz BCKUWMHFVGGHBS-LPHOPBHVSA-N 2 1 345.487 1.782 20 0 EDADMP Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccc(C[NH3+])cc3)CCC[N@H+]2C)cn1 ZINC000368478498 446887130 /nfs/dbraw/zinc/88/71/30/446887130.db2.gz SLFYOUKZAREBRV-AEFFLSMTSA-N 2 1 341.459 1.692 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412229562 446904251 /nfs/dbraw/zinc/90/42/51/446904251.db2.gz QLFAFPRATDFTQE-FMKPAKJESA-N 2 1 325.522 1.755 20 0 EDADMP CC1(C)[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)[C@@H]2CCCO[C@@H]21 ZINC000371514901 446908033 /nfs/dbraw/zinc/90/80/33/446908033.db2.gz QTJZNRCJROAREC-XDNAFOTISA-N 2 1 337.508 1.186 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419079542 446909765 /nfs/dbraw/zinc/90/97/65/446909765.db2.gz NDOZWFOSGNNELO-XHSDSOJGSA-N 2 1 338.496 1.001 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000375634260 446940186 /nfs/dbraw/zinc/94/01/86/446940186.db2.gz HIRRKARDPHQBKY-OGJJZOIMSA-N 2 1 335.492 1.382 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000368598673 446972123 /nfs/dbraw/zinc/97/21/23/446972123.db2.gz RAHKPROEQHIWNC-AISVETHESA-N 2 1 349.519 1.772 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000442786852 446968118 /nfs/dbraw/zinc/96/81/18/446968118.db2.gz WGCBAHWPNORVNV-KBPBESRZSA-N 2 1 339.867 1.846 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000442786852 446968121 /nfs/dbraw/zinc/96/81/21/446968121.db2.gz WGCBAHWPNORVNV-KBPBESRZSA-N 2 1 339.867 1.846 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000371948216 446978468 /nfs/dbraw/zinc/97/84/68/446978468.db2.gz BQAFTOWOMAZDPQ-CRAIPNDOSA-N 2 1 329.488 1.931 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368620235 446985531 /nfs/dbraw/zinc/98/55/31/446985531.db2.gz XMRDJIYQRTYADE-LTIDMASMSA-N 2 1 336.480 1.118 20 0 EDADMP Cc1cc(NC(=O)CN2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)no1 ZINC000372421877 447056188 /nfs/dbraw/zinc/05/61/88/447056188.db2.gz ZMZYWXYOMSBFOU-CQSZACIVSA-N 2 1 332.448 2.118 20 0 EDADMP Cc1cc(NC(=O)C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)no1 ZINC000372421877 447056195 /nfs/dbraw/zinc/05/61/95/447056195.db2.gz ZMZYWXYOMSBFOU-CQSZACIVSA-N 2 1 332.448 2.118 20 0 EDADMP Cc1cc(NC(=O)C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)no1 ZINC000372421877 447056198 /nfs/dbraw/zinc/05/61/98/447056198.db2.gz ZMZYWXYOMSBFOU-CQSZACIVSA-N 2 1 332.448 2.118 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(Nc2nc3cccc(F)c3n2C)CC1 ZINC000443508381 447058418 /nfs/dbraw/zinc/05/84/18/447058418.db2.gz DYKGSUSLHILAEO-UHFFFAOYSA-N 2 1 347.438 2.115 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)C2 ZINC000377315947 447060203 /nfs/dbraw/zinc/06/02/03/447060203.db2.gz KMTGPRGFHVOTQY-WMLDXEAASA-N 2 1 348.491 1.305 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H]1c1cccs1 ZINC000372460458 447063393 /nfs/dbraw/zinc/06/33/93/447063393.db2.gz QJTBLNLDGWXIQD-BDJLRTHQSA-N 2 1 345.472 1.540 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000421294425 447107846 /nfs/dbraw/zinc/10/78/46/447107846.db2.gz GVKHQBJWRUYMHU-INIZCTEOSA-N 2 1 332.448 1.239 20 0 EDADMP CC(=O)c1ccc2c(c1)CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000375888895 447123469 /nfs/dbraw/zinc/12/34/69/447123469.db2.gz IKISWXGFLZAIEV-UHFFFAOYSA-N 2 1 343.471 1.454 20 0 EDADMP CC(=O)c1ccc2c(c1)CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000375888895 447123476 /nfs/dbraw/zinc/12/34/76/447123476.db2.gz IKISWXGFLZAIEV-UHFFFAOYSA-N 2 1 343.471 1.454 20 0 EDADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375907263 447139000 /nfs/dbraw/zinc/13/90/00/447139000.db2.gz XRQMWXDATBCKMB-QZTJIDSGSA-N 2 1 327.513 1.120 20 0 EDADMP CCCCOC(=O)CC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375892202 447125788 /nfs/dbraw/zinc/12/57/88/447125788.db2.gz UDPRTODKHDTMNK-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000419481626 447213737 /nfs/dbraw/zinc/21/37/37/447213737.db2.gz WOOKISJMAKLVQA-NJINODPHSA-N 2 1 340.512 1.203 20 0 EDADMP O[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000368992202 447251120 /nfs/dbraw/zinc/25/11/20/447251120.db2.gz XBMSKGGYGJVRMD-KRWDZBQOSA-N 2 1 326.481 1.087 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000419528273 447244021 /nfs/dbraw/zinc/24/40/21/447244021.db2.gz WRQJPONPCZDCNA-BZUAXINKSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000419528273 447244028 /nfs/dbraw/zinc/24/40/28/447244028.db2.gz WRQJPONPCZDCNA-BZUAXINKSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000419528273 447244037 /nfs/dbraw/zinc/24/40/37/447244037.db2.gz WRQJPONPCZDCNA-BZUAXINKSA-N 2 1 340.512 1.203 20 0 EDADMP Cc1cc(C)nc(C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)n1 ZINC000372758463 447272900 /nfs/dbraw/zinc/27/29/00/447272900.db2.gz RFWLVPBOKGZRME-UHFFFAOYSA-N 2 1 331.464 1.047 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000494901739 447460538 /nfs/dbraw/zinc/46/05/38/447460538.db2.gz NNDVYMUGDVASNP-HNNXBMFYSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000494901739 447460545 /nfs/dbraw/zinc/46/05/45/447460545.db2.gz NNDVYMUGDVASNP-HNNXBMFYSA-N 2 1 326.485 1.221 20 0 EDADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458703620 447456181 /nfs/dbraw/zinc/45/61/81/447456181.db2.gz IDQGEKOAQBKXFC-DLBZAZTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)NC[C@@H]1CCCC[NH+]1CCO ZINC000458703620 447456188 /nfs/dbraw/zinc/45/61/88/447456188.db2.gz IDQGEKOAQBKXFC-DLBZAZTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)NC[C@@H]1CCCC[NH+]1CCO ZINC000458703620 447456194 /nfs/dbraw/zinc/45/61/94/447456194.db2.gz IDQGEKOAQBKXFC-DLBZAZTESA-N 2 1 338.496 1.149 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000494901739 447460532 /nfs/dbraw/zinc/46/05/32/447460532.db2.gz NNDVYMUGDVASNP-HNNXBMFYSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450353503 447465900 /nfs/dbraw/zinc/46/59/00/447465900.db2.gz FZPGLNQFUGVHPX-HKUYNNGSSA-N 2 1 347.503 1.637 20 0 EDADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)NCC(C)(C)[NH3+])c1)C1CC1 ZINC000415472855 447464697 /nfs/dbraw/zinc/46/46/97/447464697.db2.gz ZLKMEULGUBOVRY-UHFFFAOYSA-N 2 1 332.448 1.115 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000415477392 447467789 /nfs/dbraw/zinc/46/77/89/447467789.db2.gz NRNCDQVSPGBPCD-UHFFFAOYSA-N 2 1 343.431 1.429 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)C2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000426650996 447485464 /nfs/dbraw/zinc/48/54/64/447485464.db2.gz IUQDBBNGHCYJKL-IYBDPMFKSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@@H+](C[C@@H](O)CNC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390867193 447504198 /nfs/dbraw/zinc/50/41/98/447504198.db2.gz OMZFEGZGZINTKN-VQTJNVASSA-N 2 1 347.503 1.322 20 0 EDADMP C[NH+](C[C@@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390867193 447504205 /nfs/dbraw/zinc/50/42/05/447504205.db2.gz OMZFEGZGZINTKN-VQTJNVASSA-N 2 1 347.503 1.322 20 0 EDADMP C[NH+](C[C@@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390867193 447504210 /nfs/dbraw/zinc/50/42/10/447504210.db2.gz OMZFEGZGZINTKN-VQTJNVASSA-N 2 1 347.503 1.322 20 0 EDADMP CC(C)[NH+](CCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)C(C)C ZINC000457413976 447576408 /nfs/dbraw/zinc/57/64/08/447576408.db2.gz BCNVTQHDXGEZPT-INIZCTEOSA-N 2 1 328.501 1.251 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccnc(C)c1 ZINC000458993535 447531304 /nfs/dbraw/zinc/53/13/04/447531304.db2.gz DZMFAEGGURBICJ-SFHVURJKSA-N 2 1 347.507 1.948 20 0 EDADMP C[C@@H]1C[NH+](Cc2cc(Cl)cc(C[N@@H+]3C[C@H](O)[C@@H](C)C3)c2)C[C@H]1O ZINC000450645262 447546686 /nfs/dbraw/zinc/54/66/86/447546686.db2.gz GZDNRYSBHVOGAH-WVMBZCLNSA-N 2 1 338.879 1.965 20 0 EDADMP COc1cc2[nH+]c(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)nc(N)c2cc1OC ZINC000450823381 447590109 /nfs/dbraw/zinc/59/01/09/447590109.db2.gz CSEHUDVYKMXGEJ-YOGCLGLASA-N 2 1 343.431 1.688 20 0 EDADMP COc1cc2[nH+]c(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)nc(N)c2cc1OC ZINC000450823381 447590112 /nfs/dbraw/zinc/59/01/12/447590112.db2.gz CSEHUDVYKMXGEJ-YOGCLGLASA-N 2 1 343.431 1.688 20 0 EDADMP O=C(NC1CC[NH+](C2CCC2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000459099050 447573744 /nfs/dbraw/zinc/57/37/44/447573744.db2.gz JHDRYWUAPHULMX-MRXNPFEDSA-N 2 1 338.496 1.149 20 0 EDADMP CC(C)(CC[NH3+])NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000422558652 447643158 /nfs/dbraw/zinc/64/31/58/447643158.db2.gz PBIKEEZGGZSEPZ-UHFFFAOYSA-N 2 1 334.464 1.810 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496043151 447697223 /nfs/dbraw/zinc/69/72/23/447697223.db2.gz JEQNFNNGCYMLBO-UKRRQHHQSA-N 2 1 340.468 1.645 20 0 EDADMP CCC[N@@H+](CCn1cc(Cl)cn1)CCN1CC[NH+](CC)CC1 ZINC000459541436 447700727 /nfs/dbraw/zinc/70/07/27/447700727.db2.gz WNNAGOLKFAKUAC-UHFFFAOYSA-N 2 1 327.904 1.886 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)[C@H]1SC ZINC000459409633 447656831 /nfs/dbraw/zinc/65/68/31/447656831.db2.gz REWDILZJOKJZSE-BFYDXBDKSA-N 2 1 343.537 1.428 20 0 EDADMP C[C@@H](CNC(=O)NC(C)(C)CC[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000422592666 447660932 /nfs/dbraw/zinc/66/09/32/447660932.db2.gz OUCRXIZNPXPHSR-INIZCTEOSA-N 2 1 347.507 1.624 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N[C@H]2CCOc3ccccc32)C[C@H]1C[NH3+] ZINC000422638868 447683742 /nfs/dbraw/zinc/68/37/42/447683742.db2.gz ROFGBEHMAFMGNN-DLTWYDFYSA-N 2 1 331.460 1.932 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N[C@H]2CCOc3ccccc32)C[C@H]1C[NH3+] ZINC000422638868 447683749 /nfs/dbraw/zinc/68/37/49/447683749.db2.gz ROFGBEHMAFMGNN-DLTWYDFYSA-N 2 1 331.460 1.932 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C[C@@H](C)O1 ZINC000416928139 447712574 /nfs/dbraw/zinc/71/25/74/447712574.db2.gz XPLWTQSISLKQDY-KBUPBQIOSA-N 2 1 326.485 1.171 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416939145 447716337 /nfs/dbraw/zinc/71/63/37/447716337.db2.gz MJXWJAATUYISBA-IXDOHACOSA-N 2 1 340.512 1.360 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000416949418 447722140 /nfs/dbraw/zinc/72/21/40/447722140.db2.gz HEDCJPFYNWHXLT-MSOLQXFVSA-N 2 1 347.507 1.258 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1C[C@H]([NH3+])[C@@H](C)C1)[NH+]1CCOCC1 ZINC000416950751 447723331 /nfs/dbraw/zinc/72/33/31/447723331.db2.gz IAFUJADKCNQRAG-BPUTZDHNSA-N 2 1 326.485 1.112 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)N1CC[NH+](C)CC1 ZINC000416953485 447724557 /nfs/dbraw/zinc/72/45/57/447724557.db2.gz KOMKMKUNLBQXTP-BBWFWOEESA-N 2 1 339.528 1.027 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000416958385 447727250 /nfs/dbraw/zinc/72/72/50/447727250.db2.gz OZHZCXHZCYNDFQ-HZPDHXFCSA-N 2 1 327.517 1.075 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[nH+]c1 ZINC000417056875 447732338 /nfs/dbraw/zinc/73/23/38/447732338.db2.gz AEXREBQDNLLKDI-XHSDSOJGSA-N 2 1 331.464 1.961 20 0 EDADMP Cc1ccc(NCCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH+]c1 ZINC000417069560 447732986 /nfs/dbraw/zinc/73/29/86/447732986.db2.gz UPEURQAWKRWGGW-XYPWUTKMSA-N 2 1 331.464 2.116 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000422745438 447736691 /nfs/dbraw/zinc/73/66/91/447736691.db2.gz XRTOAFFVPDDJIG-GOEBONIOSA-N 2 1 339.505 1.995 20 0 EDADMP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000458181067 447737943 /nfs/dbraw/zinc/73/79/43/447737943.db2.gz ZIXCDPOTWCCUDX-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000458181067 447737950 /nfs/dbraw/zinc/73/79/50/447737950.db2.gz ZIXCDPOTWCCUDX-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCC[C@H](CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000458181067 447737954 /nfs/dbraw/zinc/73/79/54/447737954.db2.gz ZIXCDPOTWCCUDX-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCC[C@H](CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000458181067 447737960 /nfs/dbraw/zinc/73/79/60/447737960.db2.gz ZIXCDPOTWCCUDX-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000429376691 447745137 /nfs/dbraw/zinc/74/51/37/447745137.db2.gz KIAASTPUIHTYPR-DLBZAZTESA-N 2 1 336.524 1.345 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000429376691 447745142 /nfs/dbraw/zinc/74/51/42/447745142.db2.gz KIAASTPUIHTYPR-DLBZAZTESA-N 2 1 336.524 1.345 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCCNC(=O)OC(C)(C)C)CCCO1 ZINC000496239288 447747116 /nfs/dbraw/zinc/74/71/16/447747116.db2.gz XSLBPJSWPNBRDZ-OAHLLOKOSA-N 2 1 329.485 1.992 20 0 EDADMP Cc1cc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)ccc1OCC[NH+](C)C ZINC000458225407 447748418 /nfs/dbraw/zinc/74/84/18/447748418.db2.gz YLFFUGLITAAWLG-KRWDZBQOSA-N 2 1 346.475 1.264 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CC[C@H]([C@H]3CCOC3)C1)C[NH+]1CCC2CC1 ZINC000496278061 447752233 /nfs/dbraw/zinc/75/22/33/447752233.db2.gz WSJMQTVUCOBDBL-RLFYNMQTSA-N 2 1 335.448 1.219 20 0 EDADMP CNC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471834695 447815222 /nfs/dbraw/zinc/81/52/22/447815222.db2.gz SVJNAAKUEIYERU-DLBZAZTESA-N 2 1 346.475 1.504 20 0 EDADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000430591575 447781711 /nfs/dbraw/zinc/78/17/11/447781711.db2.gz KMVAPNBWAFQGQV-UHFFFAOYSA-N 2 1 332.448 1.905 20 0 EDADMP OC(C[NH+]1CCC[C@]2(CCOC2)C1)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451913369 447782136 /nfs/dbraw/zinc/78/21/36/447782136.db2.gz WLMJTDBKHMZNOG-OALUTQOASA-N 2 1 338.492 1.352 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)COC3C[NH2+]C3)c2)C[C@@H](C)O1 ZINC000430789537 447785589 /nfs/dbraw/zinc/78/55/89/447785589.db2.gz VCRHPFZGLXGWNY-ZIAGYGMSSA-N 2 1 333.432 1.223 20 0 EDADMP C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000422977035 447786136 /nfs/dbraw/zinc/78/61/36/447786136.db2.gz JGFHUZOIAAOXHO-HNAYVOBHSA-N 3 1 326.444 1.782 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000462005790 447798064 /nfs/dbraw/zinc/79/80/64/447798064.db2.gz VEHQUXKYWXRCGW-PMPSAXMXSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000462005790 447798066 /nfs/dbraw/zinc/79/80/66/447798066.db2.gz VEHQUXKYWXRCGW-PMPSAXMXSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000462005790 447798068 /nfs/dbraw/zinc/79/80/68/447798068.db2.gz VEHQUXKYWXRCGW-PMPSAXMXSA-N 2 1 328.501 1.203 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000471656617 447808488 /nfs/dbraw/zinc/80/84/88/447808488.db2.gz TURDRKOWEVPIRA-KRWDZBQOSA-N 2 1 334.464 1.263 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000471656617 447808492 /nfs/dbraw/zinc/80/84/92/447808492.db2.gz TURDRKOWEVPIRA-KRWDZBQOSA-N 2 1 334.464 1.263 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(C)C ZINC000487702541 447836155 /nfs/dbraw/zinc/83/61/55/447836155.db2.gz ZTEOKFLNPOWWPU-SJORKVTESA-N 2 1 340.512 1.394 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000522830393 447858374 /nfs/dbraw/zinc/85/83/74/447858374.db2.gz LYGWJRGWVJACMG-IBGZPJMESA-N 2 1 342.487 1.848 20 0 EDADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000496562721 447820801 /nfs/dbraw/zinc/82/08/01/447820801.db2.gz DRLPRHVGPKJJRV-RVKKMQEKSA-N 2 1 341.496 1.678 20 0 EDADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000496562721 447820802 /nfs/dbraw/zinc/82/08/02/447820802.db2.gz DRLPRHVGPKJJRV-RVKKMQEKSA-N 2 1 341.496 1.678 20 0 EDADMP O=C1NC2(CO1)CC[NH+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000497121940 447870726 /nfs/dbraw/zinc/87/07/26/447870726.db2.gz AMDSWIOZVHVXAN-UHFFFAOYSA-N 2 1 345.443 1.593 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)OCC(C)C ZINC000523094194 447872456 /nfs/dbraw/zinc/87/24/56/447872456.db2.gz UDBFTBAWOBJCQT-IAGOWNOFSA-N 2 1 327.513 1.922 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000530814458 447963677 /nfs/dbraw/zinc/96/36/77/447963677.db2.gz GBFBKKIVVGQGAJ-MJGOQNOKSA-N 2 1 331.460 1.224 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530814458 447963679 /nfs/dbraw/zinc/96/36/79/447963679.db2.gz GBFBKKIVVGQGAJ-MJGOQNOKSA-N 2 1 331.460 1.224 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530814458 447963684 /nfs/dbraw/zinc/96/36/84/447963684.db2.gz GBFBKKIVVGQGAJ-MJGOQNOKSA-N 2 1 331.460 1.224 20 0 EDADMP COc1ccc(COC[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000576144590 447983473 /nfs/dbraw/zinc/98/34/73/447983473.db2.gz QTFPIHBJYLWHFS-FBVQUNGASA-N 2 1 334.460 1.788 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000525332433 447996190 /nfs/dbraw/zinc/99/61/90/447996190.db2.gz MJQGRLHTRXLQOL-LJQANCHMSA-N 2 1 331.460 1.178 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525332433 447996192 /nfs/dbraw/zinc/99/61/92/447996192.db2.gz MJQGRLHTRXLQOL-LJQANCHMSA-N 2 1 331.460 1.178 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000525332433 447996194 /nfs/dbraw/zinc/99/61/94/447996194.db2.gz MJQGRLHTRXLQOL-LJQANCHMSA-N 2 1 331.460 1.178 20 0 EDADMP CC1(C)C[NH+](Cc2cncc(C[N@H+]3C[C@@H](O)C(C)(C)C3)c2)C[C@H]1O ZINC000576227701 448004145 /nfs/dbraw/zinc/00/41/45/448004145.db2.gz YSHRYFCFBRJQQU-IAGOWNOFSA-N 2 1 333.476 1.487 20 0 EDADMP CCC(CC)[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)N1CCOCC1 ZINC000525670398 448008113 /nfs/dbraw/zinc/00/81/13/448008113.db2.gz JZOQIMUWOIAMLN-FUHWJXTLSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[N@H+]1CCCC[C@H]1C ZINC000570634972 448039914 /nfs/dbraw/zinc/03/99/14/448039914.db2.gz QOFXRPKROXWOGD-ILXRZTDVSA-N 2 1 334.468 1.023 20 0 EDADMP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCC[N@H+]2CC=CCC2)CC1 ZINC000497304625 448058993 /nfs/dbraw/zinc/05/89/93/448058993.db2.gz MNGOZFYHBAIRTJ-UHFFFAOYSA-N 2 1 337.468 1.325 20 0 EDADMP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCC[N@@H+]2CC=CCC2)CC1 ZINC000497304625 448058998 /nfs/dbraw/zinc/05/89/98/448058998.db2.gz MNGOZFYHBAIRTJ-UHFFFAOYSA-N 2 1 337.468 1.325 20 0 EDADMP CCC[C@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC[N@H+]1CCOC ZINC000571051042 448100301 /nfs/dbraw/zinc/10/03/01/448100301.db2.gz WMNNXLQZNJMSCP-GJZGRUSLSA-N 2 1 349.479 1.060 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@H]2C1 ZINC000502652933 448104684 /nfs/dbraw/zinc/10/46/84/448104684.db2.gz RGCFBUMTNJOLAJ-KSZLIROESA-N 2 1 337.508 1.819 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000571073996 448106003 /nfs/dbraw/zinc/10/60/03/448106003.db2.gz SFMHELMDHAASCP-HNNXBMFYSA-N 2 1 347.459 1.158 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000571073996 448106009 /nfs/dbraw/zinc/10/60/09/448106009.db2.gz SFMHELMDHAASCP-HNNXBMFYSA-N 2 1 347.459 1.158 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000531769020 448140008 /nfs/dbraw/zinc/14/00/08/448140008.db2.gz LWXWXIVUHWHSTP-QRQLOZEOSA-N 2 1 347.503 1.978 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000531769020 448140011 /nfs/dbraw/zinc/14/00/11/448140011.db2.gz LWXWXIVUHWHSTP-QRQLOZEOSA-N 2 1 347.503 1.978 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000514601928 448170690 /nfs/dbraw/zinc/17/06/90/448170690.db2.gz HATNWCLYHBLRBG-HNNXBMFYSA-N 2 1 333.480 1.138 20 0 EDADMP C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000527211125 448183974 /nfs/dbraw/zinc/18/39/74/448183974.db2.gz KLITWUGJJQTWLV-GOSISDBHSA-N 2 1 332.492 1.932 20 0 EDADMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000571936590 448239876 /nfs/dbraw/zinc/23/98/76/448239876.db2.gz ASERRJSAWWILTB-CYBMUJFWSA-N 2 1 336.461 1.693 20 0 EDADMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000571936590 448239881 /nfs/dbraw/zinc/23/98/81/448239881.db2.gz ASERRJSAWWILTB-CYBMUJFWSA-N 2 1 336.461 1.693 20 0 EDADMP Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC000577252246 448247012 /nfs/dbraw/zinc/24/70/12/448247012.db2.gz YJLLKDCNMBEIBO-QXAKKESOSA-N 2 1 338.455 1.968 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC000577252246 448247021 /nfs/dbraw/zinc/24/70/21/448247021.db2.gz YJLLKDCNMBEIBO-QXAKKESOSA-N 2 1 338.455 1.968 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000515055628 448250005 /nfs/dbraw/zinc/25/00/05/448250005.db2.gz ZBTAIEBXUZEAPH-SJLPKXTDSA-N 2 1 349.475 1.706 20 0 EDADMP COCC[NH+]1CCC([NH2+]CCCNC(=O)/C=C/c2ccccc2)CC1 ZINC000492854481 448313011 /nfs/dbraw/zinc/31/30/11/448313011.db2.gz DUOZIXYXYDXBTO-CMDGGOBGSA-N 2 1 345.487 1.907 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000515234461 448279842 /nfs/dbraw/zinc/27/98/42/448279842.db2.gz KSEREHZUGBTYCA-DLBZAZTESA-N 2 1 325.497 1.460 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000515234461 448279851 /nfs/dbraw/zinc/27/98/51/448279851.db2.gz KSEREHZUGBTYCA-DLBZAZTESA-N 2 1 325.497 1.460 20 0 EDADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577384568 448283641 /nfs/dbraw/zinc/28/36/41/448283641.db2.gz CFMRRSRYQYBCBB-OALUTQOASA-N 2 1 347.503 1.982 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000515342125 448292637 /nfs/dbraw/zinc/29/26/37/448292637.db2.gz XAULBJWSVQXTHM-OAHLLOKOSA-N 2 1 332.448 1.942 20 0 EDADMP Cn1nnc2cc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)ccc21 ZINC000515517147 448325242 /nfs/dbraw/zinc/32/52/42/448325242.db2.gz LAAANZWWHNTYLN-UHFFFAOYSA-N 2 1 328.464 1.274 20 0 EDADMP [NH3+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCC1 ZINC000515382877 448304698 /nfs/dbraw/zinc/30/46/98/448304698.db2.gz DKNUPIHKKYTWLU-QZTJIDSGSA-N 2 1 330.476 1.927 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCCC[C@@H]1CCC[NH2+]1 ZINC000582664239 448304905 /nfs/dbraw/zinc/30/49/05/448304905.db2.gz BRQPGCBVXYQJTA-IBGZPJMESA-N 2 1 344.503 1.453 20 0 EDADMP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572498794 448396062 /nfs/dbraw/zinc/39/60/62/448396062.db2.gz NPPMLSFHFPKBRX-GBESFXJTSA-N 2 1 342.487 1.948 20 0 EDADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000591475594 448377251 /nfs/dbraw/zinc/37/72/51/448377251.db2.gz CCVRBLXGWKCPOB-MSOLQXFVSA-N 2 1 332.444 1.950 20 0 EDADMP C[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000516098030 448380677 /nfs/dbraw/zinc/38/06/77/448380677.db2.gz GOAZLZYOKQKJPG-ANULTFPQSA-N 3 1 343.515 1.868 20 0 EDADMP C[NH+]1CC[C@H](NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000516098030 448380684 /nfs/dbraw/zinc/38/06/84/448380684.db2.gz GOAZLZYOKQKJPG-ANULTFPQSA-N 3 1 343.515 1.868 20 0 EDADMP C[NH+]1CC[C@H](NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000516098030 448380690 /nfs/dbraw/zinc/38/06/90/448380690.db2.gz GOAZLZYOKQKJPG-ANULTFPQSA-N 3 1 343.515 1.868 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000516098030 448380698 /nfs/dbraw/zinc/38/06/98/448380698.db2.gz GOAZLZYOKQKJPG-ANULTFPQSA-N 3 1 343.515 1.868 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000516098030 448380700 /nfs/dbraw/zinc/38/07/00/448380700.db2.gz GOAZLZYOKQKJPG-ANULTFPQSA-N 2 1 343.515 1.868 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000577998757 448434938 /nfs/dbraw/zinc/43/49/38/448434938.db2.gz VDZKJJBHCIULMS-SOLBZPMBSA-N 2 1 348.466 1.945 20 0 EDADMP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc[nH+]c2ccccc12 ZINC000528129704 448439132 /nfs/dbraw/zinc/43/91/32/448439132.db2.gz GNSQOEZOSHKQSR-LJQANCHMSA-N 2 1 327.428 1.684 20 0 EDADMP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc[nH+]c2ccccc12 ZINC000528129704 448439137 /nfs/dbraw/zinc/43/91/37/448439137.db2.gz GNSQOEZOSHKQSR-LJQANCHMSA-N 2 1 327.428 1.684 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000566298720 448439430 /nfs/dbraw/zinc/43/94/30/448439430.db2.gz CSBBKVDNYUEKCG-HLLBOEOZSA-N 2 1 344.459 1.529 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000578076111 448456129 /nfs/dbraw/zinc/45/61/29/448456129.db2.gz ZGQVHBVMPGPSLZ-MRXNPFEDSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000516653805 448457983 /nfs/dbraw/zinc/45/79/83/448457983.db2.gz WPFREIDWHHXPFZ-APWZRJJASA-N 2 1 344.503 1.438 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000591726517 448473824 /nfs/dbraw/zinc/47/38/24/448473824.db2.gz DQOSZGHZFFDWNG-YESZJQIVSA-N 2 1 348.443 1.429 20 0 EDADMP CN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000528292924 448479190 /nfs/dbraw/zinc/47/91/90/448479190.db2.gz HPBWWMZIVAUPIS-ULQDDVLXSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000578144516 448472188 /nfs/dbraw/zinc/47/21/88/448472188.db2.gz WCDMOTFNIMUSMG-QKCSRTOESA-N 2 1 343.349 1.890 20 0 EDADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1c[nH+]ccc1N ZINC000572989744 448516703 /nfs/dbraw/zinc/51/67/03/448516703.db2.gz DQPAAFZVVSQKHJ-CABCVRRESA-N 2 1 340.427 1.825 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CC[NH2+]C1 ZINC000584362787 448500361 /nfs/dbraw/zinc/50/03/61/448500361.db2.gz YVZYTRCBWXXLKY-ROUUACIJSA-N 2 1 330.476 1.950 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)C(F)(F)F)c2)CCO1 ZINC000573236999 448577817 /nfs/dbraw/zinc/57/78/17/448577817.db2.gz TYJPJEFZCXAYTO-SWLSCSKDSA-N 2 1 332.366 1.920 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)C(F)(F)F)c2)CCO1 ZINC000573236999 448577823 /nfs/dbraw/zinc/57/78/23/448577823.db2.gz TYJPJEFZCXAYTO-SWLSCSKDSA-N 2 1 332.366 1.920 20 0 EDADMP COCC[NH2+]CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000566680606 448537217 /nfs/dbraw/zinc/53/72/17/448537217.db2.gz JRPNLUOFBLBXTJ-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP CC[C@@H]1C[N@@H+](Cc2cncc(C[NH+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@@H]1O ZINC000517216755 448551980 /nfs/dbraw/zinc/55/19/80/448551980.db2.gz RINAIUDHTDJGKW-RDGPPVDQSA-N 2 1 333.476 1.487 20 0 EDADMP CC[C@@H]1C[NH+](Cc2cncc(C[N@@H+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@@H]1O ZINC000517216755 448551985 /nfs/dbraw/zinc/55/19/85/448551985.db2.gz RINAIUDHTDJGKW-RDGPPVDQSA-N 2 1 333.476 1.487 20 0 EDADMP CC[C@@H]1C[NH+](Cc2cncc(C[N@H+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@@H]1O ZINC000517216755 448551993 /nfs/dbraw/zinc/55/19/93/448551993.db2.gz RINAIUDHTDJGKW-RDGPPVDQSA-N 2 1 333.476 1.487 20 0 EDADMP COCCOC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000578641236 448600582 /nfs/dbraw/zinc/60/05/82/448600582.db2.gz SAYMVJYRESAGMF-LPHOPBHVSA-N 2 1 336.476 1.826 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000573583109 448665251 /nfs/dbraw/zinc/66/52/51/448665251.db2.gz JTNGSYLDNXPELI-OAHLLOKOSA-N 2 1 326.485 1.032 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000541720843 448686401 /nfs/dbraw/zinc/68/64/01/448686401.db2.gz CLTANDABJQREEG-ICSRJNTNSA-N 2 1 345.487 1.472 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000541720843 448686408 /nfs/dbraw/zinc/68/64/08/448686408.db2.gz CLTANDABJQREEG-ICSRJNTNSA-N 2 1 345.487 1.472 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000541720843 448686417 /nfs/dbraw/zinc/68/64/17/448686417.db2.gz CLTANDABJQREEG-ICSRJNTNSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@@H](C(=O)NCCN1CCO[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000518457026 448679475 /nfs/dbraw/zinc/67/94/75/448679475.db2.gz HHNSWPQSGREPKY-CVEARBPZSA-N 2 1 331.460 1.270 20 0 EDADMP C[C@@H](C(=O)NCCN1CCO[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000518457026 448679482 /nfs/dbraw/zinc/67/94/82/448679482.db2.gz HHNSWPQSGREPKY-CVEARBPZSA-N 2 1 331.460 1.270 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2N[C@H]2CCC[NH2+]CC2)C1 ZINC000518491540 448684370 /nfs/dbraw/zinc/68/43/70/448684370.db2.gz NXNIRDNRSYUOBE-IRXDYDNUSA-N 2 1 330.476 1.938 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000567811619 448765304 /nfs/dbraw/zinc/76/53/04/448765304.db2.gz YQPFWBLTWJNZKY-ZIFCJYIRSA-N 2 1 346.519 1.933 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000567681944 448737500 /nfs/dbraw/zinc/73/75/00/448737500.db2.gz BOOOZLYDBCVWBD-ROUUACIJSA-N 2 1 333.476 1.122 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000567681944 448737503 /nfs/dbraw/zinc/73/75/03/448737503.db2.gz BOOOZLYDBCVWBD-ROUUACIJSA-N 2 1 333.476 1.122 20 0 EDADMP C[C@H]1C[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000519162003 448748820 /nfs/dbraw/zinc/74/88/20/448748820.db2.gz WQONOPZGZZFQAQ-ICSRJNTNSA-N 2 1 330.520 1.877 20 0 EDADMP C[C@H]1C[C@@H](N(C)CCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000519162003 448748827 /nfs/dbraw/zinc/74/88/27/448748827.db2.gz WQONOPZGZZFQAQ-ICSRJNTNSA-N 3 1 330.520 1.877 20 0 EDADMP C[C@H]1C[C@@H](N(C)CCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000519162003 448748831 /nfs/dbraw/zinc/74/88/31/448748831.db2.gz WQONOPZGZZFQAQ-ICSRJNTNSA-N 3 1 330.520 1.877 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)CCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000519162003 448748837 /nfs/dbraw/zinc/74/88/37/448748837.db2.gz WQONOPZGZZFQAQ-ICSRJNTNSA-N 3 1 330.520 1.877 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)CCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000519162003 448748842 /nfs/dbraw/zinc/74/88/42/448748842.db2.gz WQONOPZGZZFQAQ-ICSRJNTNSA-N 3 1 330.520 1.877 20 0 EDADMP C[C@H]1C[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000519162003 448748850 /nfs/dbraw/zinc/74/88/50/448748850.db2.gz WQONOPZGZZFQAQ-ICSRJNTNSA-N 3 1 330.520 1.877 20 0 EDADMP C[C@H]1C[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000519162003 448748855 /nfs/dbraw/zinc/74/88/55/448748855.db2.gz WQONOPZGZZFQAQ-ICSRJNTNSA-N 3 1 330.520 1.877 20 0 EDADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000573971285 448760573 /nfs/dbraw/zinc/76/05/73/448760573.db2.gz RZVAOCURWWDBIH-KBRIMQKVSA-N 2 1 329.448 1.363 20 0 EDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000573971285 448760578 /nfs/dbraw/zinc/76/05/78/448760578.db2.gz RZVAOCURWWDBIH-KBRIMQKVSA-N 2 1 329.448 1.363 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529306690 448814566 /nfs/dbraw/zinc/81/45/66/448814566.db2.gz JACRKAUMDYJYKV-WBVHZDCISA-N 2 1 336.480 1.023 20 0 EDADMP C[C@@H]1[C@H](O)CCC[NH+]1Cc1cncc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)c1 ZINC000579555485 448818705 /nfs/dbraw/zinc/81/87/05/448818705.db2.gz FFMCDRZHVHBVOM-OHDICMOHSA-N 2 1 333.476 1.772 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000579567887 448822928 /nfs/dbraw/zinc/82/29/28/448822928.db2.gz BSBCZWBPLHCCHY-AWEZNQCLSA-N 2 1 346.475 1.507 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1CC[NH2+]CC1 ZINC000579691616 448853595 /nfs/dbraw/zinc/85/35/95/448853595.db2.gz UXJCTXBCDHRXMI-QGZVFWFLSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000568371642 448862369 /nfs/dbraw/zinc/86/23/69/448862369.db2.gz NTUYKRHKGAOUNH-QAPCUYQASA-N 2 1 330.476 1.948 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C[C@H]3CCCO3)CC2)CC1 ZINC000574583633 448909145 /nfs/dbraw/zinc/90/91/45/448909145.db2.gz YKDYPHHYDMUCSQ-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000569314030 448998076 /nfs/dbraw/zinc/99/80/76/448998076.db2.gz LAELSYARNVNSOR-QGZVFWFLSA-N 2 1 348.491 1.863 20 0 EDADMP C[C@@]1(CNC(=O)N2CCO[C@H](C[NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000575027323 449016451 /nfs/dbraw/zinc/01/64/51/449016451.db2.gz BJQBGEBORNNZPE-MJGOQNOKSA-N 2 1 346.475 1.410 20 0 EDADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000575106229 449035963 /nfs/dbraw/zinc/03/59/63/449035963.db2.gz FZNAUVKJFKZTHD-JKSUJKDBSA-N 2 1 346.475 1.775 20 0 EDADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548720403 449089635 /nfs/dbraw/zinc/08/96/35/449089635.db2.gz XZUKZDOYGZRQQC-QGZVFWFLSA-N 2 1 338.540 1.783 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548720403 449089642 /nfs/dbraw/zinc/08/96/42/449089642.db2.gz XZUKZDOYGZRQQC-QGZVFWFLSA-N 2 1 338.540 1.783 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548720403 449089649 /nfs/dbraw/zinc/08/96/49/449089649.db2.gz XZUKZDOYGZRQQC-QGZVFWFLSA-N 2 1 338.540 1.783 20 0 EDADMP c1ccc(-c2noc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)n2)nc1 ZINC000530238756 449091136 /nfs/dbraw/zinc/09/11/36/449091136.db2.gz BVBHVDPTHKMNGX-HNNXBMFYSA-N 2 1 343.431 1.722 20 0 EDADMP CN(C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000604208250 449191190 /nfs/dbraw/zinc/19/11/90/449191190.db2.gz IGPCKRZWIQMCBD-YJBOKZPZSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000604208250 449191196 /nfs/dbraw/zinc/19/11/96/449191196.db2.gz IGPCKRZWIQMCBD-YJBOKZPZSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000604208250 449191203 /nfs/dbraw/zinc/19/12/03/449191203.db2.gz IGPCKRZWIQMCBD-YJBOKZPZSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604208250 449191212 /nfs/dbraw/zinc/19/12/12/449191212.db2.gz IGPCKRZWIQMCBD-YJBOKZPZSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000604208250 449191218 /nfs/dbraw/zinc/19/12/18/449191218.db2.gz IGPCKRZWIQMCBD-YJBOKZPZSA-N 2 1 349.523 1.033 20 0 EDADMP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595891515 449236397 /nfs/dbraw/zinc/23/63/97/449236397.db2.gz INTOMHQTRJKLLH-BBWFWOEESA-N 2 1 336.476 1.951 20 0 EDADMP COc1ccnc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000604702539 449273249 /nfs/dbraw/zinc/27/32/49/449273249.db2.gz HZERNBOHXMECCM-UHFFFAOYSA-N 2 1 327.388 1.489 20 0 EDADMP COC(=O)CCCC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000600707315 449507801 /nfs/dbraw/zinc/50/78/01/449507801.db2.gz ALYTWAZOTWGDDF-OAHLLOKOSA-N 2 1 349.479 1.342 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc2c(c1)OCO2 ZINC000617505009 449649696 /nfs/dbraw/zinc/64/96/96/449649696.db2.gz TUOWMDGCJXBNEQ-AWEZNQCLSA-N 2 1 335.448 1.346 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc2c(c1)OCO2 ZINC000617505009 449649704 /nfs/dbraw/zinc/64/97/04/449649704.db2.gz TUOWMDGCJXBNEQ-AWEZNQCLSA-N 2 1 335.448 1.346 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000617505500 449651736 /nfs/dbraw/zinc/65/17/36/449651736.db2.gz FIRIJMONLXSNKT-ULQDDVLXSA-N 2 1 327.513 1.970 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000617505500 449651743 /nfs/dbraw/zinc/65/17/43/449651743.db2.gz FIRIJMONLXSNKT-ULQDDVLXSA-N 2 1 327.513 1.970 20 0 EDADMP Cc1ccc([C@@H](C)[C@H](O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617506676 449656104 /nfs/dbraw/zinc/65/61/04/449656104.db2.gz VUPBAOSVPVOFJH-SCTDSRPQSA-N 2 1 349.519 1.848 20 0 EDADMP Cc1ccc([C@@H](C)[C@H](O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617506676 449656108 /nfs/dbraw/zinc/65/61/08/449656108.db2.gz VUPBAOSVPVOFJH-SCTDSRPQSA-N 2 1 349.519 1.848 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000594942081 449815191 /nfs/dbraw/zinc/81/51/91/449815191.db2.gz WIBRMWNJKFJNJP-DAXOMENPSA-N 2 1 332.448 1.849 20 0 EDADMP C[NH+]1CCN(CC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000608401202 449827001 /nfs/dbraw/zinc/82/70/01/449827001.db2.gz BWCZKQDOJXOMCV-IBGZPJMESA-N 2 1 344.503 1.577 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CCCO1 ZINC000608629532 449890251 /nfs/dbraw/zinc/89/02/51/449890251.db2.gz NJHPYXYUKYEBCK-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000615089865 449950487 /nfs/dbraw/zinc/95/04/87/449950487.db2.gz OATIMCCCOKMYJA-LSDHHAIUSA-N 2 1 325.497 1.865 20 0 EDADMP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000615266138 450029429 /nfs/dbraw/zinc/02/94/29/450029429.db2.gz LCIJTOYXIWGBQF-SJORKVTESA-N 2 1 341.415 1.203 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000615266138 450029433 /nfs/dbraw/zinc/02/94/33/450029433.db2.gz LCIJTOYXIWGBQF-SJORKVTESA-N 2 1 341.415 1.203 20 0 EDADMP CC(C)CNC(=O)CCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595341354 450053949 /nfs/dbraw/zinc/05/39/49/450053949.db2.gz WJPYGAOKKGGPCE-SFHVURJKSA-N 2 1 338.540 1.639 20 0 EDADMP CS[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[C@H]1[NH+](C)C ZINC000599720451 450177132 /nfs/dbraw/zinc/17/71/32/450177132.db2.gz GYRQXBDFEAJBEG-MLHJIOFPSA-N 2 1 347.528 1.836 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H]4COC[C@]4(C)C3)CC2)CC1 ZINC000618702426 450276502 /nfs/dbraw/zinc/27/65/02/450276502.db2.gz RCKYRLABFRNMSP-XLIONFOSSA-N 2 1 349.519 1.678 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000603354274 450260180 /nfs/dbraw/zinc/26/01/80/450260180.db2.gz YPTVDIFTXUIVSX-WMZOPIPTSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@H]1CC[NH+](C)CCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000603354274 450260183 /nfs/dbraw/zinc/26/01/83/450260183.db2.gz YPTVDIFTXUIVSX-WMZOPIPTSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@H]1CC[NH+](C)CCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000603354274 450260186 /nfs/dbraw/zinc/26/01/86/450260186.db2.gz YPTVDIFTXUIVSX-WMZOPIPTSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623227705 450458673 /nfs/dbraw/zinc/45/86/73/450458673.db2.gz ZNZDIUZCFFQZMM-DZKIICNBSA-N 2 1 335.496 1.464 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623227705 450458676 /nfs/dbraw/zinc/45/86/76/450458676.db2.gz ZNZDIUZCFFQZMM-DZKIICNBSA-N 2 1 335.496 1.464 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1COCCN1C)[N@H+]1CCc2ccccc2C1 ZINC000623393740 450512612 /nfs/dbraw/zinc/51/26/12/450512612.db2.gz NRSAECWESBFQHG-MAUKXSAKSA-N 2 1 346.475 1.063 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1COCCN1C)N1CCc2ccccc2C1 ZINC000623393740 450512615 /nfs/dbraw/zinc/51/26/15/450512615.db2.gz NRSAECWESBFQHG-MAUKXSAKSA-N 2 1 346.475 1.063 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1COCCN1C ZINC000623455080 450524077 /nfs/dbraw/zinc/52/40/77/450524077.db2.gz APVVSZAWAIENKA-GOSISDBHSA-N 2 1 348.491 1.657 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C2 ZINC000620978077 450568618 /nfs/dbraw/zinc/56/86/18/450568618.db2.gz CQJYOOBATNGAAQ-WBVHZDCISA-N 2 1 334.464 1.323 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000623708883 450569556 /nfs/dbraw/zinc/56/95/56/450569556.db2.gz ZKEAZYOGKGVOOX-OAHLLOKOSA-N 2 1 326.510 1.351 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000623708883 450569558 /nfs/dbraw/zinc/56/95/58/450569558.db2.gz ZKEAZYOGKGVOOX-OAHLLOKOSA-N 2 1 326.510 1.351 20 0 EDADMP Cc1ccc(CNC(=O)NC[C@@H]2COCCN2C)c(N2CCCC2)[nH+]1 ZINC000623872781 450621137 /nfs/dbraw/zinc/62/11/37/450621137.db2.gz OVKPNWHWFOLVIU-MRXNPFEDSA-N 2 1 347.463 1.120 20 0 EDADMP [NH3+]C1(C[NH2+]Cc2cnc3ccc(Br)cn23)CCOCC1 ZINC000629387241 450642898 /nfs/dbraw/zinc/64/28/98/450642898.db2.gz DFBJGPOIYPBSRK-UHFFFAOYSA-N 2 1 339.237 1.694 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000631581383 450666043 /nfs/dbraw/zinc/66/60/43/450666043.db2.gz FGKQBAHBIIOGHK-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C23CCC[NH+](CCC2)C3)C[C@@H](C)O1 ZINC000635165474 450711023 /nfs/dbraw/zinc/71/10/23/450711023.db2.gz KKBAMCBDOSMOFB-HZPDHXFCSA-N 2 1 337.508 1.866 20 0 EDADMP O=C(CC[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1)N1CC[NH2+]CC1 ZINC000629551090 450731825 /nfs/dbraw/zinc/73/18/25/450731825.db2.gz SJQJPUPGDYBSKS-HNNXBMFYSA-N 2 1 337.414 1.966 20 0 EDADMP CC(C)NC(=O)Nc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629555925 450735349 /nfs/dbraw/zinc/73/53/49/450735349.db2.gz QGWRNCXCQSIETF-KRWDZBQOSA-N 2 1 334.464 1.763 20 0 EDADMP O[C@@H](C[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)C[NH+]1CCCC1 ZINC000629561759 450737244 /nfs/dbraw/zinc/73/72/44/450737244.db2.gz ZYHYLSCJPMDZIF-CABCVRRESA-N 2 1 325.403 1.590 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000629565290 450738959 /nfs/dbraw/zinc/73/89/59/450738959.db2.gz FGJMLJQWOQPSSU-CYBMUJFWSA-N 2 1 327.856 1.685 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000629565290 450738964 /nfs/dbraw/zinc/73/89/64/450738964.db2.gz FGJMLJQWOQPSSU-CYBMUJFWSA-N 2 1 327.856 1.685 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000629567960 450741497 /nfs/dbraw/zinc/74/14/97/450741497.db2.gz HOLHSABGEIOXDN-NSHDSACASA-N 2 1 331.819 1.974 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000629567960 450741499 /nfs/dbraw/zinc/74/14/99/450741499.db2.gz HOLHSABGEIOXDN-NSHDSACASA-N 2 1 331.819 1.974 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000629571139 450742499 /nfs/dbraw/zinc/74/24/99/450742499.db2.gz QQLKIVXJFPTMTE-AWEZNQCLSA-N 2 1 330.432 1.730 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000629571139 450742501 /nfs/dbraw/zinc/74/25/01/450742501.db2.gz QQLKIVXJFPTMTE-AWEZNQCLSA-N 2 1 330.432 1.730 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000629577382 450745315 /nfs/dbraw/zinc/74/53/15/450745315.db2.gz HEGUHSIXCYPFHU-UHFFFAOYSA-N 2 1 333.354 1.941 20 0 EDADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000629595357 450755549 /nfs/dbraw/zinc/75/55/49/450755549.db2.gz NFODTEXRWJJLFT-AWEZNQCLSA-N 2 1 337.489 1.094 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)[C@@H]2CCC[C@@H]21 ZINC000624261800 450768512 /nfs/dbraw/zinc/76/85/12/450768512.db2.gz BHXGQEAERORTFW-JYJNAYRXSA-N 2 1 345.443 1.859 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)[C@@H]2CCC[C@@H]21 ZINC000624261800 450768518 /nfs/dbraw/zinc/76/85/18/450768518.db2.gz BHXGQEAERORTFW-JYJNAYRXSA-N 2 1 345.443 1.859 20 0 EDADMP C[C@@H]1C[N@H+](CC(=O)N(C)CCCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631839616 450809176 /nfs/dbraw/zinc/80/91/76/450809176.db2.gz IPJJLQVDYFNHNW-HUUCEWRRSA-N 2 1 337.439 1.580 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CCCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631839616 450809180 /nfs/dbraw/zinc/80/91/80/450809180.db2.gz IPJJLQVDYFNHNW-HUUCEWRRSA-N 2 1 337.439 1.580 20 0 EDADMP C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000635299477 450825384 /nfs/dbraw/zinc/82/53/84/450825384.db2.gz GILJXWQWVGSENA-CVEARBPZSA-N 2 1 325.497 1.581 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000631942876 450900604 /nfs/dbraw/zinc/90/06/04/450900604.db2.gz IBQOTPYCYWHQFU-UHFFFAOYSA-N 2 1 331.526 1.656 20 0 EDADMP COCC[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000635426236 450931379 /nfs/dbraw/zinc/93/13/79/450931379.db2.gz VEQABHDGAYJFKV-UHFFFAOYSA-N 2 1 333.476 1.388 20 0 EDADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000635454184 450955468 /nfs/dbraw/zinc/95/54/68/450955468.db2.gz UMWDIXTTXFZRQZ-LJQANCHMSA-N 2 1 349.519 1.964 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000626912003 451000705 /nfs/dbraw/zinc/00/07/05/451000705.db2.gz SNQGBWKBMVRTIE-IINYFYTJSA-N 2 1 338.839 1.207 20 0 EDADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632084425 451024017 /nfs/dbraw/zinc/02/40/17/451024017.db2.gz BOWMGIQEZMLKEN-RBSFLKMASA-N 2 1 331.526 1.366 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000633801278 451024847 /nfs/dbraw/zinc/02/48/47/451024847.db2.gz WUNRNIBVIFKCHL-IEBWSBKVSA-N 2 1 344.503 1.118 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000633801278 451024850 /nfs/dbraw/zinc/02/48/50/451024850.db2.gz WUNRNIBVIFKCHL-IEBWSBKVSA-N 2 1 344.503 1.118 20 0 EDADMP C[C@H](NC(=O)NCCOCCC[NH3+])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627012381 451077261 /nfs/dbraw/zinc/07/72/61/451077261.db2.gz ZBGAFJCQOGGNSD-LSDHHAIUSA-N 2 1 326.485 1.304 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc(N2CCCC2)[nH+]1 ZINC000627040148 451096569 /nfs/dbraw/zinc/09/65/69/451096569.db2.gz BVEFBANDFBRXJV-XJKSGUPXSA-N 2 1 331.464 1.930 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCSC1 ZINC000633944619 451119033 /nfs/dbraw/zinc/11/90/33/451119033.db2.gz KCYZZBFIYIIYGF-OAHLLOKOSA-N 2 1 325.522 1.901 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(CO)c(F)c2)CC1 ZINC000622325771 451127181 /nfs/dbraw/zinc/12/71/81/451127181.db2.gz OAEVEJSDINCJDD-UHFFFAOYSA-N 2 1 344.390 1.717 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627198488 451181212 /nfs/dbraw/zinc/18/12/12/451181212.db2.gz LODNXBISPMXTTL-BRWVUGGUSA-N 3 1 339.528 1.184 20 0 EDADMP C[NH+]1CCN(C(=O)C2CC[NH+](C[C@@]3(C)CCCS3)CC2)CC1 ZINC000628277787 451208106 /nfs/dbraw/zinc/20/81/06/451208106.db2.gz JQMVCEWQWZYBCW-QGZVFWFLSA-N 2 1 325.522 1.758 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000635743897 451213162 /nfs/dbraw/zinc/21/31/62/451213162.db2.gz OSTNLFAKUOXEKI-SFHVURJKSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000635743897 451213166 /nfs/dbraw/zinc/21/31/66/451213166.db2.gz OSTNLFAKUOXEKI-SFHVURJKSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000635743897 451213172 /nfs/dbraw/zinc/21/31/72/451213172.db2.gz OSTNLFAKUOXEKI-SFHVURJKSA-N 2 1 336.524 1.488 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000638084588 451248181 /nfs/dbraw/zinc/24/81/81/451248181.db2.gz FMPMEVZPVAZSAO-CMKODMSKSA-N 2 1 345.487 1.434 20 0 EDADMP CN(C(=O)[C@@H](N)C[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000638099096 451265086 /nfs/dbraw/zinc/26/50/86/451265086.db2.gz FPWYPAUNBWHRSD-ROUUACIJSA-N 2 1 330.476 1.141 20 0 EDADMP CN(C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)[C@H]1CC[NH+](C2CC2)C1 ZINC000638099096 451265090 /nfs/dbraw/zinc/26/50/90/451265090.db2.gz FPWYPAUNBWHRSD-ROUUACIJSA-N 2 1 330.476 1.141 20 0 EDADMP CN(C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH+](C2CC2)C1 ZINC000638099096 451265097 /nfs/dbraw/zinc/26/50/97/451265097.db2.gz FPWYPAUNBWHRSD-ROUUACIJSA-N 2 1 330.476 1.141 20 0 EDADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638101071 451267274 /nfs/dbraw/zinc/26/72/74/451267274.db2.gz SNXJIEBOUWNSRR-LMMKCTJWSA-N 2 1 346.519 1.825 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638102615 451268746 /nfs/dbraw/zinc/26/87/46/451268746.db2.gz VDTDCYFPGGNTKC-UHFFFAOYSA-N 2 1 344.503 1.262 20 0 EDADMP CCCc1nc(C)c(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)o1 ZINC000630594917 451269096 /nfs/dbraw/zinc/26/90/96/451269096.db2.gz YJPBKAGTWKYWEI-UHFFFAOYSA-N 2 1 332.452 1.541 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000638103070 451271171 /nfs/dbraw/zinc/27/11/71/451271171.db2.gz YZCIZHDIGLDKBW-RBUKOAKNSA-N 2 1 344.503 1.533 20 0 EDADMP C[N@@H+](CC(=O)N(CCN1CCOCC1)[C@H]1CCSC1)C1CCC1 ZINC000640346873 451274920 /nfs/dbraw/zinc/27/49/20/451274920.db2.gz AVZVMGSBKBLLDY-INIZCTEOSA-N 2 1 341.521 1.137 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000638108965 451276503 /nfs/dbraw/zinc/27/65/03/451276503.db2.gz PODZWNVZUKKARZ-HBFSDRIKSA-N 2 1 343.471 1.617 20 0 EDADMP COc1cccc([C@H]([NH3+])C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC000638109979 451276891 /nfs/dbraw/zinc/27/68/91/451276891.db2.gz YIOOFQIZHYTTNR-KRWDZBQOSA-N 2 1 349.475 1.701 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)CCC3C[NH2+]C3)CC2)oc1C ZINC000638110111 451278243 /nfs/dbraw/zinc/27/82/43/451278243.db2.gz ITSXWDKIOZNTNS-UHFFFAOYSA-N 2 1 334.464 1.619 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638111254 451279716 /nfs/dbraw/zinc/27/97/16/451279716.db2.gz MSCNNZTYYJXMMI-OALUTQOASA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638111254 451279719 /nfs/dbraw/zinc/27/97/19/451279719.db2.gz MSCNNZTYYJXMMI-OALUTQOASA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638111254 451279721 /nfs/dbraw/zinc/27/97/21/451279721.db2.gz MSCNNZTYYJXMMI-OALUTQOASA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638111254 451279724 /nfs/dbraw/zinc/27/97/24/451279724.db2.gz MSCNNZTYYJXMMI-OALUTQOASA-N 2 1 346.519 1.540 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638111254 451279727 /nfs/dbraw/zinc/27/97/27/451279727.db2.gz MSCNNZTYYJXMMI-OALUTQOASA-N 2 1 346.519 1.540 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638115008 451283151 /nfs/dbraw/zinc/28/31/51/451283151.db2.gz FGNPIONTZPBZCK-OALUTQOASA-N 2 1 346.519 1.826 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638115008 451283159 /nfs/dbraw/zinc/28/31/59/451283159.db2.gz FGNPIONTZPBZCK-OALUTQOASA-N 2 1 346.519 1.826 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638115008 451283165 /nfs/dbraw/zinc/28/31/65/451283165.db2.gz FGNPIONTZPBZCK-OALUTQOASA-N 2 1 346.519 1.826 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)C1 ZINC000638133327 451305469 /nfs/dbraw/zinc/30/54/69/451305469.db2.gz KPKXMGPFMWDSFJ-INIZCTEOSA-N 2 1 346.475 1.251 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638137090 451309886 /nfs/dbraw/zinc/30/98/86/451309886.db2.gz RFRCJMSOSXGFKD-LJQANCHMSA-N 2 1 342.487 1.488 20 0 EDADMP CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638144723 451318574 /nfs/dbraw/zinc/31/85/74/451318574.db2.gz DULQYXMZHFYYPD-ICSRJNTNSA-N 2 1 345.487 1.641 20 0 EDADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000640444913 451320568 /nfs/dbraw/zinc/32/05/68/451320568.db2.gz OHPAPSFBXBLTQG-KBPBESRZSA-N 2 1 334.468 1.706 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1Cc2cncn2C1)[N@@H+]1CCc2sccc2C1 ZINC000636588711 451330002 /nfs/dbraw/zinc/33/00/02/451330002.db2.gz LTGDIAUYHRXQKU-OCCSQVGLSA-N 2 1 345.472 1.615 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1Cc2cncn2C1)[N@H+]1CCc2sccc2C1 ZINC000636588711 451330005 /nfs/dbraw/zinc/33/00/05/451330005.db2.gz LTGDIAUYHRXQKU-OCCSQVGLSA-N 2 1 345.472 1.615 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000638201504 451352267 /nfs/dbraw/zinc/35/22/67/451352267.db2.gz MJJCZZFQDDJBQU-GOSISDBHSA-N 2 1 344.503 1.438 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000638201504 451352272 /nfs/dbraw/zinc/35/22/72/451352272.db2.gz MJJCZZFQDDJBQU-GOSISDBHSA-N 2 1 344.503 1.438 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638236580 451374427 /nfs/dbraw/zinc/37/44/27/451374427.db2.gz YRJWFPMZWNMTAB-RDJZCZTQSA-N 3 1 330.476 1.318 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC000634457329 451347289 /nfs/dbraw/zinc/34/72/89/451347289.db2.gz WHSDJDWNJBEDTH-IEBWSBKVSA-N 2 1 345.487 1.654 20 0 EDADMP C[N@H+](CCc1ccccc1)CC(=O)N1CCOC[C@@H]1[C@H]1CCC[NH+]1C ZINC000635959677 451398160 /nfs/dbraw/zinc/39/81/60/451398160.db2.gz JAIUVNWQVXMHDT-RTBURBONSA-N 2 1 345.487 1.483 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)N1CCOC[C@@H]1[C@H]1CCC[NH+]1C ZINC000635959677 451398165 /nfs/dbraw/zinc/39/81/65/451398165.db2.gz JAIUVNWQVXMHDT-RTBURBONSA-N 2 1 345.487 1.483 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000635959677 451398170 /nfs/dbraw/zinc/39/81/70/451398170.db2.gz JAIUVNWQVXMHDT-RTBURBONSA-N 2 1 345.487 1.483 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000635959677 451398175 /nfs/dbraw/zinc/39/81/75/451398175.db2.gz JAIUVNWQVXMHDT-RTBURBONSA-N 2 1 345.487 1.483 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000638286305 451402768 /nfs/dbraw/zinc/40/27/68/451402768.db2.gz POCIGPVCQSJRFA-XPYUAMARSA-N 2 1 331.460 1.390 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)C[NH2+]CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638306428 451421791 /nfs/dbraw/zinc/42/17/91/451421791.db2.gz CKZKQAGOVYBLOV-WDYCEAGBSA-N 2 1 331.460 1.392 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000638310821 451424353 /nfs/dbraw/zinc/42/43/53/451424353.db2.gz VKFCREBZATZGJB-FHWLQOOXSA-N 2 1 344.503 1.388 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000638310821 451424358 /nfs/dbraw/zinc/42/43/58/451424358.db2.gz VKFCREBZATZGJB-FHWLQOOXSA-N 2 1 344.503 1.388 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000638310821 451424363 /nfs/dbraw/zinc/42/43/63/451424363.db2.gz VKFCREBZATZGJB-FHWLQOOXSA-N 2 1 344.503 1.388 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000640604678 451451202 /nfs/dbraw/zinc/45/12/02/451451202.db2.gz GPJWJUDJMFYUMA-UHFFFAOYSA-N 2 1 340.431 1.892 20 0 EDADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640607335 451454897 /nfs/dbraw/zinc/45/48/97/451454897.db2.gz IEXVJVVCFXWKGB-QGZVFWFLSA-N 2 1 349.479 1.718 20 0 EDADMP CCC[C@H](C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)OC ZINC000638364439 451462048 /nfs/dbraw/zinc/46/20/48/451462048.db2.gz HQFPBQDHUGELQB-GOSISDBHSA-N 2 1 333.476 1.979 20 0 EDADMP O=C(NCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000634699222 451472578 /nfs/dbraw/zinc/47/25/78/451472578.db2.gz GVBIJSYGWZTHEG-LJQANCHMSA-N 2 1 343.427 1.236 20 0 EDADMP O=C(NCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000634699222 451472581 /nfs/dbraw/zinc/47/25/81/451472581.db2.gz GVBIJSYGWZTHEG-LJQANCHMSA-N 2 1 343.427 1.236 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000636786357 451506988 /nfs/dbraw/zinc/50/69/88/451506988.db2.gz PSOGWXRVACXRJY-ROUUACIJSA-N 2 1 346.475 1.017 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000636786357 451506992 /nfs/dbraw/zinc/50/69/92/451506992.db2.gz PSOGWXRVACXRJY-ROUUACIJSA-N 2 1 346.475 1.017 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000636786357 451506996 /nfs/dbraw/zinc/50/69/96/451506996.db2.gz PSOGWXRVACXRJY-ROUUACIJSA-N 2 1 346.475 1.017 20 0 EDADMP CO[C@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)Cc1ccccc1 ZINC000638482212 451535202 /nfs/dbraw/zinc/53/52/02/451535202.db2.gz OSLFLMSZNJPPQD-OALUTQOASA-N 2 1 347.503 1.776 20 0 EDADMP CO[C@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)Cc1ccccc1 ZINC000638482212 451535205 /nfs/dbraw/zinc/53/52/05/451535205.db2.gz OSLFLMSZNJPPQD-OALUTQOASA-N 2 1 347.503 1.776 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000638509188 451551152 /nfs/dbraw/zinc/55/11/52/451551152.db2.gz CMXPKRSVCNARHH-OAHLLOKOSA-N 2 1 331.464 1.033 20 0 EDADMP COc1ncc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)s1 ZINC000638512962 451552646 /nfs/dbraw/zinc/55/26/46/451552646.db2.gz KHOHRTLXECYJQK-UHFFFAOYSA-N 2 1 348.472 1.733 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCN3CCOCC3)cc2)CC[N@H+]1C ZINC000631079354 451572092 /nfs/dbraw/zinc/57/20/92/451572092.db2.gz GGSSNTIRSPCUKF-HKUYNNGSSA-N 2 1 347.503 1.970 20 0 EDADMP Cn1c(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc2ccccc21 ZINC000638572098 451583659 /nfs/dbraw/zinc/58/36/59/451583659.db2.gz UEVUIBSEGVRVPV-INIZCTEOSA-N 2 1 328.460 1.855 20 0 EDADMP C[NH2+][C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)c1cccc(Cl)c1Cl ZINC000638614132 451606755 /nfs/dbraw/zinc/60/67/55/451606755.db2.gz QXYIYRWCVIJCHD-NOZJJQNGSA-N 2 1 332.231 1.359 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCNC(=O)CC2)[C@H](c2ccccc2)C1 ZINC000634951818 451620149 /nfs/dbraw/zinc/62/01/49/451620149.db2.gz HBOGFEQAIWRPNC-OALUTQOASA-N 2 1 344.503 1.624 20 0 EDADMP [NH3+]CC1(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000638633635 451623034 /nfs/dbraw/zinc/62/30/34/451623034.db2.gz CIMYBGAXWVGPLD-KRWDZBQOSA-N 2 1 331.460 1.523 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CC1(C)C ZINC000631252990 451664707 /nfs/dbraw/zinc/66/47/07/451664707.db2.gz CBBPZDMEFKCWLZ-NUEKZKHPSA-N 2 1 343.537 1.842 20 0 EDADMP CNS(=O)(=O)CCC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000631230610 451652075 /nfs/dbraw/zinc/65/20/75/451652075.db2.gz ZJNQAYPVFODFPR-UHFFFAOYSA-N 2 1 341.521 1.674 20 0 EDADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000638687236 451653386 /nfs/dbraw/zinc/65/33/86/451653386.db2.gz QTUHFHQOTPEIMV-VQTJNVASSA-N 2 1 342.487 1.825 20 0 EDADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000638687236 451653392 /nfs/dbraw/zinc/65/33/92/451653392.db2.gz QTUHFHQOTPEIMV-VQTJNVASSA-N 2 1 342.487 1.825 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@H+]1C ZINC000631246430 451660041 /nfs/dbraw/zinc/66/00/41/451660041.db2.gz CRFHMCXWILRZCN-FGTMMUONSA-N 2 1 336.524 1.344 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000631246430 451660044 /nfs/dbraw/zinc/66/00/44/451660044.db2.gz CRFHMCXWILRZCN-FGTMMUONSA-N 2 1 336.524 1.344 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000631246430 451660047 /nfs/dbraw/zinc/66/00/47/451660047.db2.gz CRFHMCXWILRZCN-FGTMMUONSA-N 2 1 336.524 1.344 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000631246430 451660051 /nfs/dbraw/zinc/66/00/51/451660051.db2.gz CRFHMCXWILRZCN-FGTMMUONSA-N 2 1 336.524 1.344 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000631246430 451660055 /nfs/dbraw/zinc/66/00/55/451660055.db2.gz CRFHMCXWILRZCN-FGTMMUONSA-N 2 1 336.524 1.344 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nccn2nc(C3CC3)cc12 ZINC000631351881 451706322 /nfs/dbraw/zinc/70/63/22/451706322.db2.gz NMDPDNUIRCIYBF-AWEZNQCLSA-N 2 1 330.480 2.291 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nccn2nc(C3CC3)cc12 ZINC000631351881 451706325 /nfs/dbraw/zinc/70/63/25/451706325.db2.gz NMDPDNUIRCIYBF-AWEZNQCLSA-N 2 1 330.480 2.291 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000641042987 451739816 /nfs/dbraw/zinc/73/98/16/451739816.db2.gz KOGZICFLUHERHD-TWMKSMIVSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000641042987 451739819 /nfs/dbraw/zinc/73/98/19/451739819.db2.gz KOGZICFLUHERHD-TWMKSMIVSA-N 2 1 338.496 1.412 20 0 EDADMP COc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1Cl ZINC000641076559 451745902 /nfs/dbraw/zinc/74/59/02/451745902.db2.gz IKIYKPSDCKHAOA-UHFFFAOYSA-N 2 1 349.866 1.954 20 0 EDADMP CO[C@]1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCOC1 ZINC000639107286 451768987 /nfs/dbraw/zinc/76/89/87/451768987.db2.gz ZLVRPJOYAQVTSI-MOPGFXCFSA-N 2 1 334.460 1.673 20 0 EDADMP CO[C@]1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCOC1 ZINC000639107286 451768989 /nfs/dbraw/zinc/76/89/89/451768989.db2.gz ZLVRPJOYAQVTSI-MOPGFXCFSA-N 2 1 334.460 1.673 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1[C@@H](C)O[C@@H](C)[C@H]1C ZINC000637266449 451775059 /nfs/dbraw/zinc/77/50/59/451775059.db2.gz YGAMZQCWWUHJRC-NPJQDHAYSA-N 2 1 328.501 1.370 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1[C@@H](C)O[C@@H](C)[C@H]1C ZINC000637266449 451775061 /nfs/dbraw/zinc/77/50/61/451775061.db2.gz YGAMZQCWWUHJRC-NPJQDHAYSA-N 2 1 328.501 1.370 20 0 EDADMP CO[C@@H](C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000639169860 451784786 /nfs/dbraw/zinc/78/47/86/451784786.db2.gz PCNUEESFCOHODN-SFHVURJKSA-N 2 1 337.508 1.678 20 0 EDADMP O=C(NCCC1CC[NH2+]CC1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000653272022 451807211 /nfs/dbraw/zinc/80/72/11/451807211.db2.gz VOOCMDFKXPTMOL-SFHVURJKSA-N 2 1 330.476 1.800 20 0 EDADMP NC(=O)CC[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639470438 451883960 /nfs/dbraw/zinc/88/39/60/451883960.db2.gz NWQAYRBLWGPZGX-AZUAARDMSA-N 2 1 345.487 1.601 20 0 EDADMP NC(=O)CC[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639470438 451883964 /nfs/dbraw/zinc/88/39/64/451883964.db2.gz NWQAYRBLWGPZGX-AZUAARDMSA-N 2 1 345.487 1.601 20 0 EDADMP NC(=O)CC[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639470438 451883969 /nfs/dbraw/zinc/88/39/69/451883969.db2.gz NWQAYRBLWGPZGX-AZUAARDMSA-N 2 1 345.487 1.601 20 0 EDADMP NC(=O)CC[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639470438 451883972 /nfs/dbraw/zinc/88/39/72/451883972.db2.gz NWQAYRBLWGPZGX-AZUAARDMSA-N 2 1 345.487 1.601 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000646848284 451885641 /nfs/dbraw/zinc/88/56/41/451885641.db2.gz NUQOUBYYFFZYEC-SZMVWBNQSA-N 2 1 331.460 1.473 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000653434437 451947786 /nfs/dbraw/zinc/94/77/86/451947786.db2.gz BCAMEXBAPOUUBV-UHFFFAOYSA-N 2 1 340.512 1.070 20 0 EDADMP COCCC1(C(=O)NCCC[N@H+]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000649280653 451952886 /nfs/dbraw/zinc/95/28/86/451952886.db2.gz BOWOMADZKDQDOS-MRXNPFEDSA-N 2 1 325.497 1.773 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[C@H](C)O1 ZINC000649284543 451958150 /nfs/dbraw/zinc/95/81/50/451958150.db2.gz FYRLPENOCYSKNW-ZENOOKHLSA-N 2 1 339.867 1.955 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000649299240 451977139 /nfs/dbraw/zinc/97/71/39/451977139.db2.gz BMKPWMQVZNEPFF-BHYGNILZSA-N 2 1 344.459 1.450 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000649299240 451977141 /nfs/dbraw/zinc/97/71/41/451977141.db2.gz BMKPWMQVZNEPFF-BHYGNILZSA-N 2 1 344.459 1.450 20 0 EDADMP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000649305301 451981245 /nfs/dbraw/zinc/98/12/45/451981245.db2.gz LGABLWDNAZKAQC-RCCFBDPRSA-N 2 1 331.460 1.392 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@]3(C)CCC[NH2+]3)cc2)CC1 ZINC000649308612 451987292 /nfs/dbraw/zinc/98/72/92/451987292.db2.gz QGIILYWDRGNIOW-IBGZPJMESA-N 2 1 344.459 1.545 20 0 EDADMP C[C@@H]([NH2+]C1(CNC(=O)[C@]2(N)CC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000649331707 452013001 /nfs/dbraw/zinc/01/30/01/452013001.db2.gz PFJVYVHJKMJRRW-UZLBHIALSA-N 2 1 344.503 1.799 20 0 EDADMP C[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000649344610 452024125 /nfs/dbraw/zinc/02/41/25/452024125.db2.gz HDBWFPWFMHZHAN-WMZOPIPTSA-N 2 1 331.460 1.345 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2cccnc21 ZINC000644856026 452030945 /nfs/dbraw/zinc/03/09/45/452030945.db2.gz HEQCFMKZCMWKOD-MSOLQXFVSA-N 2 1 344.503 1.986 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000649365987 452044598 /nfs/dbraw/zinc/04/45/98/452044598.db2.gz DRUVNXVGJRUPLH-AOIWGVFYSA-N 2 1 342.487 1.894 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000649365987 452044606 /nfs/dbraw/zinc/04/46/06/452044606.db2.gz DRUVNXVGJRUPLH-AOIWGVFYSA-N 2 1 342.487 1.894 20 0 EDADMP COc1ccc(C)cc1CN1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000649411418 452074174 /nfs/dbraw/zinc/07/41/74/452074174.db2.gz VHLPXNVGAWYTLO-UHFFFAOYSA-N 2 1 332.492 1.026 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000653682033 452074861 /nfs/dbraw/zinc/07/48/61/452074861.db2.gz RRKVGYGAOKNMHK-IXDOHACOSA-N 2 1 325.884 1.987 20 0 EDADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3nc(-c4ccccn4)no3)CC2)C1 ZINC000649420592 452082110 /nfs/dbraw/zinc/08/21/10/452082110.db2.gz CBTAOQJCCLEHDW-ZBFHGGJFSA-N 2 1 343.431 1.850 20 0 EDADMP [NH3+]C1(CC(=O)NC[C@@H]2CCCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000637817364 452098349 /nfs/dbraw/zinc/09/83/49/452098349.db2.gz UTOQOSDZBNWESE-SFHVURJKSA-N 3 1 344.503 1.628 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000639761213 452099267 /nfs/dbraw/zinc/09/92/67/452099267.db2.gz FAUAGDFJYMSVIT-WMZOPIPTSA-N 2 1 349.500 1.878 20 0 EDADMP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000637823535 452102157 /nfs/dbraw/zinc/10/21/57/452102157.db2.gz RKNHDZYIWOIHCI-NSHGMRRFSA-N 2 1 343.471 1.332 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637822997 452102731 /nfs/dbraw/zinc/10/27/31/452102731.db2.gz CCXHCMCAHYDLBO-WDYCEAGBSA-N 2 1 331.460 1.379 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@@](C)(c3cccc(F)c3)C2)C1=O ZINC000649481555 452103785 /nfs/dbraw/zinc/10/37/85/452103785.db2.gz LPDHCTHJZDVUNA-VQIMIIECSA-N 2 1 347.434 1.478 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CC[C@@](C)(c3cccc(F)c3)C2)C1=O ZINC000649481555 452103790 /nfs/dbraw/zinc/10/37/90/452103790.db2.gz LPDHCTHJZDVUNA-VQIMIIECSA-N 2 1 347.434 1.478 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000639765161 452106185 /nfs/dbraw/zinc/10/61/85/452106185.db2.gz HSBZDOZSNHVCFO-LJQANCHMSA-N 2 1 339.524 1.660 20 0 EDADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4nnnn4CC3)CC2)cc1 ZINC000643297234 452121300 /nfs/dbraw/zinc/12/13/00/452121300.db2.gz SMNXLVYTAKAVAW-INIZCTEOSA-N 2 1 326.448 1.632 20 0 EDADMP C[N@H+](CCN1CC[NH+](C[C@@H]2CCC(=O)N2)CC1)Cc1ccccc1 ZINC000649524444 452124927 /nfs/dbraw/zinc/12/49/27/452124927.db2.gz KVHYBTVPSKJOBQ-SFHVURJKSA-N 2 1 330.476 1.015 20 0 EDADMP C[N@@H+](CCN1CC[NH+](C[C@@H]2CCC(=O)N2)CC1)Cc1ccccc1 ZINC000649524444 452124935 /nfs/dbraw/zinc/12/49/35/452124935.db2.gz KVHYBTVPSKJOBQ-SFHVURJKSA-N 2 1 330.476 1.015 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](CO)C1 ZINC000639937621 452249979 /nfs/dbraw/zinc/24/99/79/452249979.db2.gz VLYZTPVSBULLKA-BPQIPLTHSA-N 2 1 333.476 1.498 20 0 EDADMP CN(CCCC[NH+]1CCCCC1)C(=O)NCC[NH+]1CCSCC1 ZINC000641792945 452268944 /nfs/dbraw/zinc/26/89/44/452268944.db2.gz YJAPMCYTNVTPSW-UHFFFAOYSA-N 2 1 342.553 1.943 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Br)cn2)C[C@@H]1[NH3+] ZINC000641801163 452275195 /nfs/dbraw/zinc/27/51/95/452275195.db2.gz ARRTWCNIQZXUBT-VHSXEESVSA-N 2 1 327.226 1.498 20 0 EDADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000641802897 452277875 /nfs/dbraw/zinc/27/78/75/452277875.db2.gz BXGCAQDTZPEBJO-JQFCIGGWSA-N 2 1 346.475 1.145 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000641805023 452283136 /nfs/dbraw/zinc/28/31/36/452283136.db2.gz MJITVDKSSLIIKT-CABCVRRESA-N 2 1 330.432 1.233 20 0 EDADMP C[C@H](CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000655488397 452285726 /nfs/dbraw/zinc/28/57/26/452285726.db2.gz YQOAQEXIRNPRSX-BPKGMFCQSA-N 2 1 325.497 1.626 20 0 EDADMP C[C@H](CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000655488397 452285734 /nfs/dbraw/zinc/28/57/34/452285734.db2.gz YQOAQEXIRNPRSX-BPKGMFCQSA-N 2 1 325.497 1.626 20 0 EDADMP [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000659438070 452286631 /nfs/dbraw/zinc/28/66/31/452286631.db2.gz OJGAPCZPXKDHIP-HFCFLWKCSA-N 2 1 328.460 1.784 20 0 EDADMP C[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)[N@@H+]1CCc2sccc2C1 ZINC000659438245 452286909 /nfs/dbraw/zinc/28/69/09/452286909.db2.gz REMBEWVIZPYVAK-POZPTJLLSA-N 2 1 334.489 1.546 20 0 EDADMP C[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)[N@H+]1CCc2sccc2C1 ZINC000659438245 452286913 /nfs/dbraw/zinc/28/69/13/452286913.db2.gz REMBEWVIZPYVAK-POZPTJLLSA-N 2 1 334.489 1.546 20 0 EDADMP CN(C[C@H]1CCOC1)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638036392 452292894 /nfs/dbraw/zinc/29/28/94/452292894.db2.gz XDKMPKXBCDFDPP-GOSISDBHSA-N 2 1 345.487 1.865 20 0 EDADMP CCC1([NH+]2CCCC2)CCN(C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000639986418 452317541 /nfs/dbraw/zinc/31/75/41/452317541.db2.gz MKQRUGOAHWIZAX-KRWDZBQOSA-N 2 1 327.513 1.266 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638051009 452323120 /nfs/dbraw/zinc/32/31/20/452323120.db2.gz AXCJOQNYALMHPE-IBGZPJMESA-N 2 1 331.460 1.395 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC3CC2(C[NH3+])C3)C[N@H+]1Cc1ccccc1 ZINC000659468531 452325452 /nfs/dbraw/zinc/32/54/52/452325452.db2.gz BPPYFTXTYMLLLZ-HCMQPCSISA-N 2 1 328.460 1.782 20 0 EDADMP COc1cccc([C@H]([NH3+])C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000638055345 452339265 /nfs/dbraw/zinc/33/92/65/452339265.db2.gz HTKLCCDXEBHHML-IRXDYDNUSA-N 2 1 335.448 1.168 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](n2cccn2)C1 ZINC000665762404 452340659 /nfs/dbraw/zinc/34/06/59/452340659.db2.gz CRUMYFVLWMPNSD-JKSUJKDBSA-N 2 1 336.484 1.112 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](n2cccn2)C1 ZINC000665762404 452340671 /nfs/dbraw/zinc/34/06/71/452340671.db2.gz CRUMYFVLWMPNSD-JKSUJKDBSA-N 2 1 336.484 1.112 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](C)[C@@H]1CCO ZINC000665763622 452344438 /nfs/dbraw/zinc/34/44/38/452344438.db2.gz HITCGPDQFFDWIM-ULQDDVLXSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](C)[C@@H]1CCO ZINC000665763622 452344452 /nfs/dbraw/zinc/34/44/52/452344452.db2.gz HITCGPDQFFDWIM-ULQDDVLXSA-N 2 1 342.528 1.451 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000659485463 452345580 /nfs/dbraw/zinc/34/55/80/452345580.db2.gz QMOOSNAMRNBBNT-KRWDZBQOSA-N 2 1 348.491 1.656 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638058309 452348947 /nfs/dbraw/zinc/34/89/47/452348947.db2.gz ARFMEALPNPRUIT-RVKKMQEKSA-N 2 1 349.475 1.181 20 0 EDADMP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000638059696 452352182 /nfs/dbraw/zinc/35/21/82/452352182.db2.gz WOAMWIQUOWNNDY-MJGOQNOKSA-N 2 1 331.460 1.140 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC[NH2+]C2CC2)C1 ZINC000659511679 452376114 /nfs/dbraw/zinc/37/61/14/452376114.db2.gz ZHUNDTUQEDBLBC-SFHVURJKSA-N 2 1 330.476 1.697 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)CC1 ZINC000640043098 452382679 /nfs/dbraw/zinc/38/26/79/452382679.db2.gz BNTYXEUNAMGXPN-LSDHHAIUSA-N 2 1 337.430 1.505 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)CC2([NH3+])CCC2)[C@H](c2ccccc2)C1 ZINC000645434678 452406063 /nfs/dbraw/zinc/40/60/63/452406063.db2.gz QWZPTCAQWIUOQM-SFHVURJKSA-N 2 1 344.503 1.753 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)CC2([NH3+])CCC2)[C@H](c2ccccc2)C1 ZINC000645434678 452406072 /nfs/dbraw/zinc/40/60/72/452406072.db2.gz QWZPTCAQWIUOQM-SFHVURJKSA-N 2 1 344.503 1.753 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)CC2([NH3+])CCC2)[C@H](c2ccccc2)C1 ZINC000645434678 452406080 /nfs/dbraw/zinc/40/60/80/452406080.db2.gz QWZPTCAQWIUOQM-SFHVURJKSA-N 2 1 344.503 1.753 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652214827 452409131 /nfs/dbraw/zinc/40/91/31/452409131.db2.gz UHXBUJZEGJQGLN-BPQIPLTHSA-N 2 1 330.476 1.553 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652214827 452409139 /nfs/dbraw/zinc/40/91/39/452409139.db2.gz UHXBUJZEGJQGLN-BPQIPLTHSA-N 2 1 330.476 1.553 20 0 EDADMP CC[N@@H+](CCCNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000652227705 452418791 /nfs/dbraw/zinc/41/87/91/452418791.db2.gz MUTSDRHLKXKPBJ-RDJZCZTQSA-N 2 1 340.512 1.789 20 0 EDADMP CC1(C)C[NH2+][C@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000645452534 452420946 /nfs/dbraw/zinc/42/09/46/452420946.db2.gz QSUFNPUVKBXAAX-SFHVURJKSA-N 2 1 344.503 1.309 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000663715235 452451893 /nfs/dbraw/zinc/45/18/93/452451893.db2.gz DJIMHJZUFIOZRB-BBWFWOEESA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000663715235 452451902 /nfs/dbraw/zinc/45/19/02/452451902.db2.gz DJIMHJZUFIOZRB-BBWFWOEESA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000663715235 452451909 /nfs/dbraw/zinc/45/19/09/452451909.db2.gz DJIMHJZUFIOZRB-BBWFWOEESA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000663715235 452451918 /nfs/dbraw/zinc/45/19/18/452451918.db2.gz DJIMHJZUFIOZRB-BBWFWOEESA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000663715235 452451922 /nfs/dbraw/zinc/45/19/22/452451922.db2.gz DJIMHJZUFIOZRB-BBWFWOEESA-N 3 1 339.528 1.184 20 0 EDADMP C[C@H](CCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)[NH+](C)C ZINC000663739921 452472736 /nfs/dbraw/zinc/47/27/36/452472736.db2.gz RMQBIKAIQHHAGJ-MRXNPFEDSA-N 2 1 348.491 1.658 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3C(C)(C)C3(F)F)cn2)CC1 ZINC000657739536 452488845 /nfs/dbraw/zinc/48/88/45/452488845.db2.gz YVCSJGPZMIDAQL-ZDUSSCGKSA-N 2 1 325.407 1.609 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654434980 452492221 /nfs/dbraw/zinc/49/22/21/452492221.db2.gz IDCMFZNLZDPFPO-YESZJQIVSA-N 2 1 338.496 1.101 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654434980 452492230 /nfs/dbraw/zinc/49/22/30/452492230.db2.gz IDCMFZNLZDPFPO-YESZJQIVSA-N 2 1 338.496 1.101 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654434980 452492234 /nfs/dbraw/zinc/49/22/34/452492234.db2.gz IDCMFZNLZDPFPO-YESZJQIVSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CCOCC1 ZINC000654443835 452506442 /nfs/dbraw/zinc/50/64/42/452506442.db2.gz BKKGDUZEMRKJOC-JKSUJKDBSA-N 2 1 338.496 1.413 20 0 EDADMP CO[C@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC000657781768 452527547 /nfs/dbraw/zinc/52/75/47/452527547.db2.gz HUJZUWLKFMCVCP-GOSISDBHSA-N 2 1 347.507 1.913 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1(c3ccccc3)CC1)C2 ZINC000652351832 452527954 /nfs/dbraw/zinc/52/79/54/452527954.db2.gz ZYWGQKJVUYXPHT-PXNSSMCTSA-N 2 1 327.472 1.895 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1(c3ccccc3)CC1)C2 ZINC000652351832 452527961 /nfs/dbraw/zinc/52/79/61/452527961.db2.gz ZYWGQKJVUYXPHT-PXNSSMCTSA-N 2 1 327.472 1.895 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652352683 452528971 /nfs/dbraw/zinc/52/89/71/452528971.db2.gz MYWHQAGYDJYHIG-BJLQDIEVSA-N 3 1 344.503 1.466 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652352683 452528979 /nfs/dbraw/zinc/52/89/79/452528979.db2.gz MYWHQAGYDJYHIG-BJLQDIEVSA-N 3 1 344.503 1.466 20 0 EDADMP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350974 452530097 /nfs/dbraw/zinc/53/00/97/452530097.db2.gz BSOLGQLHWFLQNM-ALKREAHSSA-N 2 1 331.460 1.761 20 0 EDADMP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350974 452530105 /nfs/dbraw/zinc/53/01/05/452530105.db2.gz BSOLGQLHWFLQNM-ALKREAHSSA-N 2 1 331.460 1.761 20 0 EDADMP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655722951 452537300 /nfs/dbraw/zinc/53/73/00/452537300.db2.gz JUDKGVGKNGTRPI-KRWDZBQOSA-N 3 1 325.497 1.065 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)NCc2ccccc2F)C1 ZINC000652361269 452540771 /nfs/dbraw/zinc/54/07/71/452540771.db2.gz BKOLWOMGYCSZEO-NJAFHUGGSA-N 2 1 349.450 1.803 20 0 EDADMP Nc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)nc2ccccc12 ZINC000652363386 452545374 /nfs/dbraw/zinc/54/53/74/452545374.db2.gz CSOKVOUYSQALBP-XYPHTWIQSA-N 2 1 341.459 1.903 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000655762735 452565344 /nfs/dbraw/zinc/56/53/44/452565344.db2.gz IIZMKGAQRADCTC-SFHVURJKSA-N 2 1 338.540 1.245 20 0 EDADMP C[N@@H+]1CCN(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000655762735 452565354 /nfs/dbraw/zinc/56/53/54/452565354.db2.gz IIZMKGAQRADCTC-SFHVURJKSA-N 3 1 338.540 1.245 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000655762735 452565369 /nfs/dbraw/zinc/56/53/69/452565369.db2.gz IIZMKGAQRADCTC-SFHVURJKSA-N 3 1 338.540 1.245 20 0 EDADMP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835305 452570823 /nfs/dbraw/zinc/57/08/23/452570823.db2.gz UBSYWVDEGKWTGX-HZPDHXFCSA-N 2 1 348.491 1.098 20 0 EDADMP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835305 452570826 /nfs/dbraw/zinc/57/08/26/452570826.db2.gz UBSYWVDEGKWTGX-HZPDHXFCSA-N 2 1 348.491 1.098 20 0 EDADMP COc1ccc([C@@H](CO)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655777616 452572117 /nfs/dbraw/zinc/57/21/17/452572117.db2.gz VOINACFVERNDOG-SJLPKXTDSA-N 2 1 334.460 1.614 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C[C@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000647884402 452624004 /nfs/dbraw/zinc/62/40/04/452624004.db2.gz LSVBLLIXKLKWDV-WMZOPIPTSA-N 2 1 349.475 1.705 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904258 452645731 /nfs/dbraw/zinc/64/57/31/452645731.db2.gz ZZCIKHJRLPQJQN-HUUCEWRRSA-N 2 1 334.464 1.315 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904258 452645736 /nfs/dbraw/zinc/64/57/36/452645736.db2.gz ZZCIKHJRLPQJQN-HUUCEWRRSA-N 2 1 334.464 1.315 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)NCC[N@@H+](C)C2CCCC2)CCO1 ZINC000664006672 452708706 /nfs/dbraw/zinc/70/87/06/452708706.db2.gz KHDNPYSVDBMPHS-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000659855698 452738669 /nfs/dbraw/zinc/73/86/69/452738669.db2.gz JQYIPSZJNPIFHN-BDXSIMOUSA-N 2 1 327.513 1.261 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655959620 452741611 /nfs/dbraw/zinc/74/16/11/452741611.db2.gz VAVPFJKTOGWCRY-IRXDYDNUSA-N 2 1 344.459 1.478 20 0 EDADMP C[C@H](CNC(=O)NCC1(C)CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964875 452746256 /nfs/dbraw/zinc/74/62/56/452746256.db2.gz HWSRQIVJRGCNIQ-KFWWJZLASA-N 2 1 326.485 1.173 20 0 EDADMP C[C@H](CNC(=O)NCC1(C)CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964875 452746265 /nfs/dbraw/zinc/74/62/65/452746265.db2.gz HWSRQIVJRGCNIQ-KFWWJZLASA-N 2 1 326.485 1.173 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651020 452748722 /nfs/dbraw/zinc/74/87/22/452748722.db2.gz SCNZCZMNZJAKQL-SIRPWMCASA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651020 452748728 /nfs/dbraw/zinc/74/87/28/452748728.db2.gz SCNZCZMNZJAKQL-SIRPWMCASA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651020 452748732 /nfs/dbraw/zinc/74/87/32/452748732.db2.gz SCNZCZMNZJAKQL-SIRPWMCASA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651020 452748737 /nfs/dbraw/zinc/74/87/37/452748737.db2.gz SCNZCZMNZJAKQL-SIRPWMCASA-N 2 1 338.496 1.362 20 0 EDADMP Cc1ccn(C)c(=O)c1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000666309771 452769938 /nfs/dbraw/zinc/76/99/38/452769938.db2.gz UGBNNIGZJJIRJS-AWEZNQCLSA-N 2 1 337.468 1.087 20 0 EDADMP Cc1ccn(C)c(=O)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000666309771 452769943 /nfs/dbraw/zinc/76/99/43/452769943.db2.gz UGBNNIGZJJIRJS-AWEZNQCLSA-N 2 1 337.468 1.087 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[NH+]1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656573 452770382 /nfs/dbraw/zinc/77/03/82/452770382.db2.gz WFPUWNCSVZSLFP-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[NH+]1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656573 452770390 /nfs/dbraw/zinc/77/03/90/452770390.db2.gz WFPUWNCSVZSLFP-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](CN3CCCC3=O)C2)CC1 ZINC000662052030 452799991 /nfs/dbraw/zinc/79/99/91/452799991.db2.gz YXLWMPFTIRPFCH-GOSISDBHSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@@H]1C[NH+](CCN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000659911398 452801033 /nfs/dbraw/zinc/80/10/33/452801033.db2.gz XSNHQEPBXWMXBI-QRVBRYPASA-N 2 1 338.540 1.198 20 0 EDADMP [NH3+]Cc1nc(-c2ccc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)cc2)n[nH]1 ZINC000648125242 452840616 /nfs/dbraw/zinc/84/06/16/452840616.db2.gz LDFIDKCYTJSRNP-NSHDSACASA-N 2 1 336.346 1.114 20 0 EDADMP CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1CCCCC1 ZINC000652699284 452849912 /nfs/dbraw/zinc/84/99/12/452849912.db2.gz UNHLRRATNGMFOE-INIZCTEOSA-N 2 1 340.512 1.247 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000648160076 452869913 /nfs/dbraw/zinc/86/99/13/452869913.db2.gz WJDOOIRCNXJDNF-OKZBNKHCSA-N 2 1 330.476 1.737 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)CC1([NH3+])CCC1 ZINC000648175913 452886506 /nfs/dbraw/zinc/88/65/06/452886506.db2.gz DRGQJPGBPGPKGC-WMLDXEAASA-N 2 1 333.480 1.533 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000664225950 452904287 /nfs/dbraw/zinc/90/42/87/452904287.db2.gz MQUFJRJKWRBADG-KRWDZBQOSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](C)CCC[N@H+](C)CCNc1ccc2nnc(C(F)F)n2n1 ZINC000664248497 452929688 /nfs/dbraw/zinc/92/96/88/452929688.db2.gz ZAUMEQJUHFVDSB-UHFFFAOYSA-N 2 1 327.383 1.357 20 0 EDADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc2nnc(C(F)F)n2n1 ZINC000664248497 452929696 /nfs/dbraw/zinc/92/96/96/452929696.db2.gz ZAUMEQJUHFVDSB-UHFFFAOYSA-N 2 1 327.383 1.357 20 0 EDADMP COCCCn1nccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708369 452945459 /nfs/dbraw/zinc/94/54/59/452945459.db2.gz YUSWIQXIWFUNMC-LZLYRXPVSA-N 2 1 336.480 1.638 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000645977739 452965420 /nfs/dbraw/zinc/96/54/20/452965420.db2.gz KDZPULNYZFYTKA-VQIMIIECSA-N 2 1 342.487 1.158 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000645977739 452965427 /nfs/dbraw/zinc/96/54/27/452965427.db2.gz KDZPULNYZFYTKA-VQIMIIECSA-N 2 1 342.487 1.158 20 0 EDADMP CC[N@@H+](CC(=O)Nc1cccc(OC)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249241 452973020 /nfs/dbraw/zinc/97/30/20/452973020.db2.gz KKQMYNYUPNWMEG-INIZCTEOSA-N 2 1 333.432 1.477 20 0 EDADMP CC[N@H+](CC(=O)Nc1cccc(OC)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249241 452973026 /nfs/dbraw/zinc/97/30/26/452973026.db2.gz KKQMYNYUPNWMEG-INIZCTEOSA-N 2 1 333.432 1.477 20 0 EDADMP CCC[N@H+](C[C@@H]1CNC(=O)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660073506 452989051 /nfs/dbraw/zinc/98/90/51/452989051.db2.gz HMANQPHKHLZPOO-INIZCTEOSA-N 2 1 345.491 1.910 20 0 EDADMP CCC[N@@H+](C[C@@H]1CNC(=O)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660073506 452989058 /nfs/dbraw/zinc/98/90/58/452989058.db2.gz HMANQPHKHLZPOO-INIZCTEOSA-N 2 1 345.491 1.910 20 0 EDADMP COc1cccc([C@H](C)N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662260962 452989669 /nfs/dbraw/zinc/98/96/69/452989669.db2.gz DLZQXAJXHNONHU-LPHOPBHVSA-N 2 1 345.487 1.895 20 0 EDADMP C[C@H](CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000646003203 452999160 /nfs/dbraw/zinc/99/91/60/452999160.db2.gz WJSGUVJUOSJLQW-KZNAEPCWSA-N 2 1 336.524 1.251 20 0 EDADMP C(CC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)CN1CCOCC1 ZINC000662278953 453005675 /nfs/dbraw/zinc/00/56/75/453005675.db2.gz OKXWDNPHGGSWGE-SFHVURJKSA-N 2 1 337.508 1.332 20 0 EDADMP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298186 453020860 /nfs/dbraw/zinc/02/08/60/453020860.db2.gz UTWWZMWQLIPSBM-SFHVURJKSA-N 2 1 339.524 1.877 20 0 EDADMP CO[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664361822 453032276 /nfs/dbraw/zinc/03/22/76/453032276.db2.gz KQJQRYKVNXQBHQ-ZNMIVQPWSA-N 2 1 328.501 1.371 20 0 EDADMP CO[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664361822 453032288 /nfs/dbraw/zinc/03/22/88/453032288.db2.gz KQJQRYKVNXQBHQ-ZNMIVQPWSA-N 2 1 328.501 1.371 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)C1 ZINC000666654967 453040604 /nfs/dbraw/zinc/04/06/04/453040604.db2.gz WCXMNRKKSQPHJK-MOPGFXCFSA-N 2 1 345.487 1.517 20 0 EDADMP C[C@H](NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C(C)(C)C[NH+](C)C ZINC000664372573 453042691 /nfs/dbraw/zinc/04/26/91/453042691.db2.gz ZKMCJACUPBKDKE-GOEBONIOSA-N 2 1 340.512 1.203 20 0 EDADMP Cc1ncc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000662338945 453055294 /nfs/dbraw/zinc/05/52/94/453055294.db2.gz XMNDQTFCAMVRBR-CQSZACIVSA-N 2 1 346.504 1.964 20 0 EDADMP CC(C)COCC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662339003 453055686 /nfs/dbraw/zinc/05/56/86/453055686.db2.gz ZCDMHVSGDZCIDP-INIZCTEOSA-N 2 1 335.496 1.671 20 0 EDADMP Cc1nnsc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337986 453055812 /nfs/dbraw/zinc/05/58/12/453055812.db2.gz ONWFVXQEUPMCSY-ZDUSSCGKSA-N 2 1 347.492 1.359 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664410380 453071802 /nfs/dbraw/zinc/07/18/02/453071802.db2.gz ZJXZPNWSVLNKJX-OIISXLGYSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)(CO)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000654967213 453084891 /nfs/dbraw/zinc/08/48/91/453084891.db2.gz BMMQFYGDBSTHJR-SFHVURJKSA-N 2 1 345.487 1.424 20 0 EDADMP CC(C)(CO)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000654967213 453084899 /nfs/dbraw/zinc/08/48/99/453084899.db2.gz BMMQFYGDBSTHJR-SFHVURJKSA-N 2 1 345.487 1.424 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C(C)(C)C1 ZINC000652925893 453106705 /nfs/dbraw/zinc/10/67/05/453106705.db2.gz DNDXZEWWKWZVLR-OWCLPIDISA-N 2 1 325.497 1.817 20 0 EDADMP COCC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C(C)(C)C1 ZINC000652925893 453106717 /nfs/dbraw/zinc/10/67/17/453106717.db2.gz DNDXZEWWKWZVLR-OWCLPIDISA-N 2 1 325.497 1.817 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C(C)(C)C1 ZINC000652925893 453106725 /nfs/dbraw/zinc/10/67/25/453106725.db2.gz DNDXZEWWKWZVLR-OWCLPIDISA-N 2 1 325.497 1.817 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C(C)(C)C1 ZINC000652925893 453106736 /nfs/dbraw/zinc/10/67/36/453106736.db2.gz DNDXZEWWKWZVLR-OWCLPIDISA-N 2 1 325.497 1.817 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660179494 453108847 /nfs/dbraw/zinc/10/88/47/453108847.db2.gz KWQRIVFELXRUQO-MRXNPFEDSA-N 2 1 331.526 1.370 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000646105699 453109599 /nfs/dbraw/zinc/10/95/99/453109599.db2.gz CZOZBWNWWFTMNJ-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000666754342 453117766 /nfs/dbraw/zinc/11/77/66/453117766.db2.gz LGFXKKNLJZYARJ-IRXDYDNUSA-N 2 1 340.512 1.253 20 0 EDADMP O=C(NCC[C@H]1CC[NH2+]C1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662412050 453122601 /nfs/dbraw/zinc/12/26/01/453122601.db2.gz HNPLWZJFHPCUMH-MRVPVSSYSA-N 2 1 344.278 1.843 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662414746 453125441 /nfs/dbraw/zinc/12/54/41/453125441.db2.gz YGMFBOSSXFAPCB-ZWNOBZJWSA-N 2 1 326.238 1.517 20 0 EDADMP Cc1cc(C[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[nH]n1 ZINC000664475503 453126892 /nfs/dbraw/zinc/12/68/92/453126892.db2.gz PHJHLXGFVSMQFV-ZFWWWQNUSA-N 2 1 338.500 1.220 20 0 EDADMP Cc1cc(C[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[nH]n1 ZINC000664475503 453126897 /nfs/dbraw/zinc/12/68/97/453126897.db2.gz PHJHLXGFVSMQFV-ZFWWWQNUSA-N 2 1 338.500 1.220 20 0 EDADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000646139700 453149223 /nfs/dbraw/zinc/14/92/23/453149223.db2.gz FYGDDPHMJFVEFC-FUHWJXTLSA-N 2 1 333.476 1.319 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000664524706 453164453 /nfs/dbraw/zinc/16/44/53/453164453.db2.gz YOHMJZXWMIHVFB-LSDHHAIUSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000664524706 453164459 /nfs/dbraw/zinc/16/44/59/453164459.db2.gz YOHMJZXWMIHVFB-LSDHHAIUSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)CN1CC[NH+](C)CC1 ZINC000662479753 453192541 /nfs/dbraw/zinc/19/25/41/453192541.db2.gz LZPUSAZRHSCLDP-ZDUSSCGKSA-N 2 1 336.505 1.007 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000646186654 453200081 /nfs/dbraw/zinc/20/00/81/453200081.db2.gz DIJZKNQMZSGSMZ-HOTGVXAUSA-N 2 1 348.495 1.019 20 0 EDADMP CN1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660335664 453222587 /nfs/dbraw/zinc/22/25/87/453222587.db2.gz DYMYXLMBBJZOCI-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660335664 453222594 /nfs/dbraw/zinc/22/25/94/453222594.db2.gz DYMYXLMBBJZOCI-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660335664 453222599 /nfs/dbraw/zinc/22/25/99/453222599.db2.gz DYMYXLMBBJZOCI-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662526671 453246901 /nfs/dbraw/zinc/24/69/01/453246901.db2.gz HYRSRGBXEULDOD-QXSJWSMHSA-N 2 1 345.491 1.964 20 0 EDADMP CC[C@H](NC(=O)[C@@H](C)[NH2+]C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646238085 453249062 /nfs/dbraw/zinc/24/90/62/453249062.db2.gz OKNFGOHNMZWMKK-AYOQOUSVSA-N 2 1 345.487 1.923 20 0 EDADMP CC[C@H](NC(=O)[C@@H](C)[NH2+]C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646238085 453249069 /nfs/dbraw/zinc/24/90/69/453249069.db2.gz OKNFGOHNMZWMKK-AYOQOUSVSA-N 2 1 345.487 1.923 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000666925758 453252667 /nfs/dbraw/zinc/25/26/67/453252667.db2.gz DIJASWWPLQMUII-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](O)C[C@H](C)C3)CC2)CC1 ZINC000655141351 453254929 /nfs/dbraw/zinc/25/49/29/453254929.db2.gz CWIWHXWUXYECDO-MAUKXSAKSA-N 2 1 337.508 1.412 20 0 EDADMP C[C@@H](CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000664626842 453262384 /nfs/dbraw/zinc/26/23/84/453262384.db2.gz UMPNIELBCFWMRQ-MAUKXSAKSA-N 2 1 348.491 1.393 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000646264236 453269826 /nfs/dbraw/zinc/26/98/26/453269826.db2.gz MTDCJYLNUSGYFO-XGXHKWSGSA-N 2 1 345.487 1.780 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648788787 453276769 /nfs/dbraw/zinc/27/67/69/453276769.db2.gz XAKFQBOWCRWRDR-BRWVUGGUSA-N 2 1 345.491 1.049 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648788787 453276778 /nfs/dbraw/zinc/27/67/78/453276778.db2.gz XAKFQBOWCRWRDR-BRWVUGGUSA-N 2 1 345.491 1.049 20 0 EDADMP CN(C(=O)c1sc2c(c1Br)C[NH2+]C2)C1CC([NH3+])C1 ZINC000662565486 453292867 /nfs/dbraw/zinc/29/28/67/453292867.db2.gz CFFFRNYSEIJBDY-UHFFFAOYSA-N 2 1 330.251 1.676 20 0 EDADMP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[NH+](CCc2cccs2)CC1 ZINC000653110778 453295942 /nfs/dbraw/zinc/29/59/42/453295942.db2.gz UHSFUNORPGTWNZ-DLBZAZTESA-N 2 1 333.501 1.965 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653119722 453308214 /nfs/dbraw/zinc/30/82/14/453308214.db2.gz UGBXPYUFPUVPFG-BJLQDIEVSA-N 2 1 343.471 1.203 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653121032 453311000 /nfs/dbraw/zinc/31/10/00/453311000.db2.gz LGEABTFHZCSOOU-JFRXWTBNSA-N 2 1 346.519 1.538 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653169039 453360652 /nfs/dbraw/zinc/36/06/52/453360652.db2.gz ZYWNHXOFDQWIEJ-AEFFLSMTSA-N 2 1 338.540 1.769 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000656697741 453372577 /nfs/dbraw/zinc/37/25/77/453372577.db2.gz FZNMLZMRYJSDJE-HKUYNNGSSA-N 2 1 347.503 1.830 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000656697741 453372590 /nfs/dbraw/zinc/37/25/90/453372590.db2.gz FZNMLZMRYJSDJE-HKUYNNGSSA-N 2 1 347.503 1.830 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000656697741 453372598 /nfs/dbraw/zinc/37/25/98/453372598.db2.gz FZNMLZMRYJSDJE-HKUYNNGSSA-N 2 1 347.503 1.830 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000656697741 453372608 /nfs/dbraw/zinc/37/26/08/453372608.db2.gz FZNMLZMRYJSDJE-HKUYNNGSSA-N 2 1 347.503 1.830 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000656698374 453375863 /nfs/dbraw/zinc/37/58/63/453375863.db2.gz PRWRKGJVIPWJDN-LJQANCHMSA-N 2 1 340.556 1.178 20 0 EDADMP CCN(C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000664758950 453383360 /nfs/dbraw/zinc/38/33/60/453383360.db2.gz RBYWKRRPASZXDD-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CCN(C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000664758950 453383370 /nfs/dbraw/zinc/38/33/70/453383370.db2.gz RBYWKRRPASZXDD-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CCN(C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000664758950 453383378 /nfs/dbraw/zinc/38/33/78/453383378.db2.gz RBYWKRRPASZXDD-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CCC(CC)[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[NH+]1CCOCC1 ZINC000662672602 453388078 /nfs/dbraw/zinc/38/80/78/453388078.db2.gz CLVLFTHMTYLNKU-KRWDZBQOSA-N 2 1 337.508 1.914 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn3cc(C)nc3c2)C1 ZINC000658782079 453389687 /nfs/dbraw/zinc/38/96/87/453389687.db2.gz FJNXEIGNYHXVPP-AWEZNQCLSA-N 2 1 329.404 1.182 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662694657 453416616 /nfs/dbraw/zinc/41/66/16/453416616.db2.gz AIGFDVOPDBPDMT-UHFFFAOYSA-N 2 1 344.503 1.336 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667119512 453417366 /nfs/dbraw/zinc/41/73/66/453417366.db2.gz SHMMQNZSVFTZJM-HNNXBMFYSA-N 2 1 332.448 1.320 20 0 EDADMP C[C@]1(C[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]C1 ZINC000656787691 453447077 /nfs/dbraw/zinc/44/70/77/453447077.db2.gz RUEVVWQVAFLBCB-FCEWJHQRSA-N 2 1 327.428 1.103 20 0 EDADMP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC[N@H+](C2CCC2)C1 ZINC000667163620 453448422 /nfs/dbraw/zinc/44/84/22/453448422.db2.gz MYQMGGOIPYWFHD-AWEZNQCLSA-N 2 1 344.459 1.417 20 0 EDADMP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000655327466 453450563 /nfs/dbraw/zinc/45/05/63/453450563.db2.gz CPEOFHPHQLCKFZ-WMZOPIPTSA-N 2 1 330.476 1.894 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000655327466 453450574 /nfs/dbraw/zinc/45/05/74/453450574.db2.gz CPEOFHPHQLCKFZ-WMZOPIPTSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000655327466 453450582 /nfs/dbraw/zinc/45/05/82/453450582.db2.gz CPEOFHPHQLCKFZ-WMZOPIPTSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000655327466 453450593 /nfs/dbraw/zinc/45/05/93/453450593.db2.gz CPEOFHPHQLCKFZ-WMZOPIPTSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662745589 453474467 /nfs/dbraw/zinc/47/44/67/453474467.db2.gz JTIOKMZLHGLRFQ-SMDDNHRTSA-N 2 1 340.265 1.907 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664919276 453483776 /nfs/dbraw/zinc/48/37/76/453483776.db2.gz ZKXBNFXXOOBLSJ-DOTOQJQBSA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664919276 453483784 /nfs/dbraw/zinc/48/37/84/453483784.db2.gz ZKXBNFXXOOBLSJ-DOTOQJQBSA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664919276 453483792 /nfs/dbraw/zinc/48/37/92/453483792.db2.gz ZKXBNFXXOOBLSJ-DOTOQJQBSA-N 2 1 340.512 1.347 20 0 EDADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660658096 453493684 /nfs/dbraw/zinc/49/36/84/453493684.db2.gz BUJBXZZXFIVVBF-KXBFYZLASA-N 2 1 348.443 1.573 20 0 EDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660658096 453493691 /nfs/dbraw/zinc/49/36/91/453493691.db2.gz BUJBXZZXFIVVBF-KXBFYZLASA-N 2 1 348.443 1.573 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660658096 453493697 /nfs/dbraw/zinc/49/36/97/453493697.db2.gz BUJBXZZXFIVVBF-KXBFYZLASA-N 2 1 348.443 1.573 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660658096 453493702 /nfs/dbraw/zinc/49/37/02/453493702.db2.gz BUJBXZZXFIVVBF-KXBFYZLASA-N 2 1 348.443 1.573 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000662786887 453521326 /nfs/dbraw/zinc/52/13/26/453521326.db2.gz ZNEIALAHNFUZQP-MSOLQXFVSA-N 2 1 347.459 1.093 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)c2C1 ZINC000667263018 453521985 /nfs/dbraw/zinc/52/19/85/453521985.db2.gz RYLOHJHWQVEUMA-HNNXBMFYSA-N 2 1 344.459 1.609 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)c2C1 ZINC000667263018 453521988 /nfs/dbraw/zinc/52/19/88/453521988.db2.gz RYLOHJHWQVEUMA-HNNXBMFYSA-N 2 1 344.459 1.609 20 0 EDADMP CC1(C)CCN(CC(=O)N[C@H](CN2CCOCC2)c2ccccc2)C1 ZINC000646627428 453523183 /nfs/dbraw/zinc/52/31/83/453523183.db2.gz MOYMQFVVZKCATN-GOSISDBHSA-N 2 1 345.487 1.908 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000660703645 453528860 /nfs/dbraw/zinc/52/88/60/453528860.db2.gz FTQKZAMYWDYELU-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000655443682 453530415 /nfs/dbraw/zinc/53/04/15/453530415.db2.gz UIQSGCQFOZUWEA-UYAOXDASSA-N 2 1 327.472 1.763 20 0 EDADMP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CC[NH+](CCc2cccs2)CC1 ZINC000655444652 453532234 /nfs/dbraw/zinc/53/22/34/453532234.db2.gz MFXVZXFJCHRWFE-AEFFLSMTSA-N 2 1 333.501 1.825 20 0 EDADMP COCC(COC)N1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660794910 453576944 /nfs/dbraw/zinc/57/69/44/453576944.db2.gz DDOVKGIJMORVNZ-CALCHBBNSA-N 2 1 327.513 1.243 20 0 EDADMP COCC(COC)[NH+]1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660794910 453576952 /nfs/dbraw/zinc/57/69/52/453576952.db2.gz DDOVKGIJMORVNZ-CALCHBBNSA-N 2 1 327.513 1.243 20 0 EDADMP COCC(COC)[NH+]1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660794910 453576958 /nfs/dbraw/zinc/57/69/58/453576958.db2.gz DDOVKGIJMORVNZ-CALCHBBNSA-N 2 1 327.513 1.243 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659034554 453591217 /nfs/dbraw/zinc/59/12/17/453591217.db2.gz OGGLPFDYCZCKAH-PBHICJAKSA-N 2 1 332.448 1.811 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)[C@@H]2C1 ZINC000659038294 453593532 /nfs/dbraw/zinc/59/35/32/453593532.db2.gz OHRXRROWDKBQOZ-ZTFGCOKTSA-N 2 1 344.459 1.905 20 0 EDADMP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662912485 453599870 /nfs/dbraw/zinc/59/98/70/453599870.db2.gz KBIOWVAWYZDQFF-OAGGEKHMSA-N 2 1 335.492 1.524 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000662913625 453600040 /nfs/dbraw/zinc/60/00/40/453600040.db2.gz RLSHNKUMXYDZHL-IGKNDFSCSA-N 2 1 347.503 1.667 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000660871084 453625284 /nfs/dbraw/zinc/62/52/84/453625284.db2.gz XGQRSRTXLQISRR-UNEWFSDZSA-N 2 1 336.480 1.164 20 0 EDADMP CNC(=O)c1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000665334992 453655052 /nfs/dbraw/zinc/65/50/52/453655052.db2.gz GOVCNDOJXYBNHG-AWEZNQCLSA-N 2 1 349.479 1.440 20 0 EDADMP CNC(=O)c1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000665334992 453655057 /nfs/dbraw/zinc/65/50/57/453655057.db2.gz GOVCNDOJXYBNHG-AWEZNQCLSA-N 2 1 349.479 1.440 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000665356450 453664370 /nfs/dbraw/zinc/66/43/70/453664370.db2.gz PLTRYSUUSVXABK-HUUCEWRRSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000665356450 453664374 /nfs/dbraw/zinc/66/43/74/453664374.db2.gz PLTRYSUUSVXABK-HUUCEWRRSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000665356450 453664377 /nfs/dbraw/zinc/66/43/77/453664377.db2.gz PLTRYSUUSVXABK-HUUCEWRRSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](CO)Cc2ccccc2)CC1 ZINC000661091045 453711251 /nfs/dbraw/zinc/71/12/51/453711251.db2.gz DVXWIPDJPVAEKK-HXUWFJFHSA-N 2 1 333.520 1.938 20 0 EDADMP CCC(C)(C)[C@@H](C)[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000661233743 453768280 /nfs/dbraw/zinc/76/82/80/453768280.db2.gz IFMIRXUYZCEWOB-HZPDHXFCSA-N 2 1 327.513 1.874 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)NCc3cccnc3N3CCCC3)[C@@H]2C1 ZINC000665617632 453768462 /nfs/dbraw/zinc/76/84/62/453768462.db2.gz QHMYWWKHUCWTPG-DOTOQJQBSA-N 2 1 343.475 1.917 20 0 EDADMP CCc1cccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000663362747 453779165 /nfs/dbraw/zinc/77/91/65/453779165.db2.gz CSESOZJEROVALF-RBUKOAKNSA-N 2 1 348.487 1.832 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000661316902 453791151 /nfs/dbraw/zinc/79/11/51/453791151.db2.gz YMOICXRHUNJWIG-DOTOQJQBSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000676246092 486705992 /nfs/dbraw/zinc/70/59/92/486705992.db2.gz QROUWSOHXYLFAT-FPCVCCKLSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000676246092 486705995 /nfs/dbraw/zinc/70/59/95/486705995.db2.gz QROUWSOHXYLFAT-FPCVCCKLSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000676246092 486705999 /nfs/dbraw/zinc/70/59/99/486705999.db2.gz QROUWSOHXYLFAT-FPCVCCKLSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000676246092 486706001 /nfs/dbraw/zinc/70/60/01/486706001.db2.gz QROUWSOHXYLFAT-FPCVCCKLSA-N 2 1 326.485 1.125 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NC3C4CC5CC(C4)CC3C5)C[C@H]21 ZINC000573848277 486742230 /nfs/dbraw/zinc/74/22/30/486742230.db2.gz XQIKXNXIORXLBX-LZDYNJKDSA-N 2 1 331.504 1.987 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NC3C4CC5CC(C4)CC3C5)C[C@H]21 ZINC000573848277 486742232 /nfs/dbraw/zinc/74/22/32/486742232.db2.gz XQIKXNXIORXLBX-LZDYNJKDSA-N 2 1 331.504 1.987 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c2C1 ZINC000415653130 486765128 /nfs/dbraw/zinc/76/51/28/486765128.db2.gz RQWIEVFINAUXTK-GJZGRUSLSA-N 2 1 344.459 1.737 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c2C1 ZINC000415653130 486765132 /nfs/dbraw/zinc/76/51/32/486765132.db2.gz RQWIEVFINAUXTK-GJZGRUSLSA-N 2 1 344.459 1.737 20 0 EDADMP CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cnc2n1CCC2 ZINC000667512406 486815463 /nfs/dbraw/zinc/81/54/63/486815463.db2.gz DVBRCNBDDHZVGQ-CYBMUJFWSA-N 2 1 326.466 1.123 20 0 EDADMP CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667512406 486815470 /nfs/dbraw/zinc/81/54/70/486815470.db2.gz DVBRCNBDDHZVGQ-CYBMUJFWSA-N 2 1 326.466 1.123 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000680650326 486842239 /nfs/dbraw/zinc/84/22/39/486842239.db2.gz QTTLTVCDAPIBPZ-QGZVFWFLSA-N 2 1 346.475 1.663 20 0 EDADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000676699807 486846908 /nfs/dbraw/zinc/84/69/08/486846908.db2.gz FLSPQLYRNLVTPY-ROUUACIJSA-N 2 1 335.492 1.763 20 0 EDADMP C[N@@H+](CCCO)C1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667637463 486893032 /nfs/dbraw/zinc/89/30/32/486893032.db2.gz USXUBBXTNIYAMT-UHFFFAOYSA-N 2 1 329.448 1.546 20 0 EDADMP O=C1C[C@]2(CC[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)CN1 ZINC000684026724 486916960 /nfs/dbraw/zinc/91/69/60/486916960.db2.gz HLVAQAUVEWSNLF-HXUWFJFHSA-N 2 1 343.471 1.873 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000667786565 486963401 /nfs/dbraw/zinc/96/34/01/486963401.db2.gz UYWNAIMQNVVJHI-RBUKOAKNSA-N 2 1 343.471 1.731 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000677335820 487048691 /nfs/dbraw/zinc/04/86/91/487048691.db2.gz CLFSJSGDIPZMJN-XIRDDKMYSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000677335820 487048697 /nfs/dbraw/zinc/04/86/97/487048697.db2.gz CLFSJSGDIPZMJN-XIRDDKMYSA-N 2 1 338.496 1.079 20 0 EDADMP CCCn1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)nn1 ZINC000678002543 487224865 /nfs/dbraw/zinc/22/48/65/487224865.db2.gz QVCCMOWCXAXRKQ-UHFFFAOYSA-N 2 1 329.408 1.087 20 0 EDADMP C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000681970212 487268366 /nfs/dbraw/zinc/26/83/66/487268366.db2.gz QBCMPYPCQHURCB-LSDHHAIUSA-N 2 1 340.512 1.203 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)[N@H+](C)C1 ZINC000500379296 487395295 /nfs/dbraw/zinc/39/52/95/487395295.db2.gz MUYOZYFHYLLULT-UOVPBQLFSA-N 2 1 333.476 1.822 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)[N@@H+](C)C1 ZINC000500379296 487395297 /nfs/dbraw/zinc/39/52/97/487395297.db2.gz MUYOZYFHYLLULT-UOVPBQLFSA-N 2 1 333.476 1.822 20 0 EDADMP COC1(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000682943505 487433419 /nfs/dbraw/zinc/43/34/19/487433419.db2.gz ZCEGYELTXAWYKS-KRWDZBQOSA-N 2 1 325.497 1.332 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1=CC[N@H+](C)CC1 ZINC000679710041 487460073 /nfs/dbraw/zinc/46/00/73/487460073.db2.gz QLSZEUUHRXJVJC-DOTOQJQBSA-N 2 1 336.480 1.143 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1=CC[N@@H+](C)CC1 ZINC000679710041 487460075 /nfs/dbraw/zinc/46/00/75/487460075.db2.gz QLSZEUUHRXJVJC-DOTOQJQBSA-N 2 1 336.480 1.143 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000668963001 485498993 /nfs/dbraw/zinc/49/89/93/485498993.db2.gz MSPRHPCNVCKBKV-ZNMIVQPWSA-N 2 1 326.485 1.316 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000668963001 485499000 /nfs/dbraw/zinc/49/90/00/485499000.db2.gz MSPRHPCNVCKBKV-ZNMIVQPWSA-N 2 1 326.485 1.316 20 0 EDADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000669538463 485519932 /nfs/dbraw/zinc/51/99/32/485519932.db2.gz RFQDDOGIWKDLSX-OLMNPRSZSA-N 2 1 348.491 1.828 20 0 EDADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000669538463 485519940 /nfs/dbraw/zinc/51/99/40/485519940.db2.gz RFQDDOGIWKDLSX-OLMNPRSZSA-N 2 1 348.491 1.828 20 0 EDADMP Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(N2CCCC2)[nH+]1 ZINC000669555855 485557865 /nfs/dbraw/zinc/55/78/65/485557865.db2.gz LHIVIETXNCYOOB-GOEBONIOSA-N 2 1 331.464 1.930 20 0 EDADMP O=C(NCC1C[NH2+]C1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000669556899 485560166 /nfs/dbraw/zinc/56/01/66/485560166.db2.gz NDQOLSCWKAALNM-IPMKNSEASA-N 2 1 342.487 1.806 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCCO1 ZINC000669570864 485592445 /nfs/dbraw/zinc/59/24/45/485592445.db2.gz BKEJVJGBXCIWRE-MRXNPFEDSA-N 2 1 338.496 1.272 20 0 EDADMP C[NH+]1CCc2[nH]c3ccc(C(=O)N[C@H]4CCC[N@@H+](C)C4)cc3c2C1 ZINC000668330508 485628762 /nfs/dbraw/zinc/62/87/62/485628762.db2.gz SYGTWCVCUYBQAM-AWEZNQCLSA-N 2 1 326.444 1.980 20 0 EDADMP C[NH+]1CCc2[nH]c3ccc(C(=O)N[C@H]4CCC[N@H+](C)C4)cc3c2C1 ZINC000668330508 485628766 /nfs/dbraw/zinc/62/87/66/485628766.db2.gz SYGTWCVCUYBQAM-AWEZNQCLSA-N 2 1 326.444 1.980 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000668330508 485628772 /nfs/dbraw/zinc/62/87/72/485628772.db2.gz SYGTWCVCUYBQAM-AWEZNQCLSA-N 2 1 326.444 1.980 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000668330508 485628775 /nfs/dbraw/zinc/62/87/75/485628775.db2.gz SYGTWCVCUYBQAM-AWEZNQCLSA-N 2 1 326.444 1.980 20 0 EDADMP CCN(C(=O)C(=O)NCCCCn1cc[nH+]c1C)[C@@H]1CC[N@H+](CC)C1 ZINC000669091510 485638768 /nfs/dbraw/zinc/63/87/68/485638768.db2.gz LEUSBXCITPROES-MRXNPFEDSA-N 2 1 349.479 1.031 20 0 EDADMP CCN(C(=O)C(=O)NCCCCn1cc[nH+]c1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000669091510 485638779 /nfs/dbraw/zinc/63/87/79/485638779.db2.gz LEUSBXCITPROES-MRXNPFEDSA-N 2 1 349.479 1.031 20 0 EDADMP Cc1nc(CN2CCC(CNC(=O)c3ccc(CN)o3)CC2)oc1C ZINC000237723940 485999745 /nfs/dbraw/zinc/99/97/45/485999745.db2.gz RLZPCMDESZSHFQ-UHFFFAOYSA-N 2 1 346.431 1.985 20 0 EDADMP CN(c1ccccc1C[N@H+]1CCC(CO)(CO)C1)C1CC[NH+](C)CC1 ZINC000668665256 486015132 /nfs/dbraw/zinc/01/51/32/486015132.db2.gz KRQJNBQNCROJFZ-UHFFFAOYSA-N 2 1 347.503 1.394 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCOCC2)[C@H](C)C1 ZINC000678601660 486044908 /nfs/dbraw/zinc/04/49/08/486044908.db2.gz BPVSRIASYDOPQC-SJORKVTESA-N 2 1 328.497 1.909 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000669405499 486076810 /nfs/dbraw/zinc/07/68/10/486076810.db2.gz FMZUVQJBYVEYBR-CYBMUJFWSA-N 2 1 344.431 1.403 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000669405499 486076814 /nfs/dbraw/zinc/07/68/14/486076814.db2.gz FMZUVQJBYVEYBR-CYBMUJFWSA-N 2 1 344.431 1.403 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCC[NH2+]C1 ZINC000669420237 486139432 /nfs/dbraw/zinc/13/94/32/486139432.db2.gz FXKMBMGPNPJEMH-MSOLQXFVSA-N 2 1 330.476 1.950 20 0 EDADMP COCC[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451532235 486288583 /nfs/dbraw/zinc/28/85/83/486288583.db2.gz KMUNBNDMLFQBEV-AEFFLSMTSA-N 2 1 325.497 1.678 20 0 EDADMP COCC[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451532235 486288588 /nfs/dbraw/zinc/28/85/88/486288588.db2.gz KMUNBNDMLFQBEV-AEFFLSMTSA-N 2 1 325.497 1.678 20 0 EDADMP COCC[C@@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451532235 486288591 /nfs/dbraw/zinc/28/85/91/486288591.db2.gz KMUNBNDMLFQBEV-AEFFLSMTSA-N 2 1 325.497 1.678 20 0 EDADMP COCC[C@@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451532235 486288596 /nfs/dbraw/zinc/28/85/96/486288596.db2.gz KMUNBNDMLFQBEV-AEFFLSMTSA-N 2 1 325.497 1.678 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000670406690 486450347 /nfs/dbraw/zinc/45/03/47/486450347.db2.gz AHJSCWSKMBBHGN-RBUKOAKNSA-N 2 1 342.487 1.157 20 0 EDADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000670406690 486450352 /nfs/dbraw/zinc/45/03/52/486450352.db2.gz AHJSCWSKMBBHGN-RBUKOAKNSA-N 2 1 342.487 1.157 20 0 EDADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000670406690 486450354 /nfs/dbraw/zinc/45/03/54/486450354.db2.gz AHJSCWSKMBBHGN-RBUKOAKNSA-N 2 1 342.487 1.157 20 0 EDADMP C[C@@H](NC(=O)NCCCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494715 490998421 /nfs/dbraw/zinc/99/84/21/490998421.db2.gz IGQLSFPMOQURLP-NVXWUHKLSA-N 2 1 334.464 1.314 20 0 EDADMP C[C@@H](NC(=O)NCCCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494715 490998422 /nfs/dbraw/zinc/99/84/22/490998422.db2.gz IGQLSFPMOQURLP-NVXWUHKLSA-N 2 1 334.464 1.314 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CCCO1 ZINC000683375912 491012510 /nfs/dbraw/zinc/01/25/10/491012510.db2.gz JGSYNIBDCMAPPS-DOTOQJQBSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCCO1 ZINC000683375912 491012511 /nfs/dbraw/zinc/01/25/11/491012511.db2.gz JGSYNIBDCMAPPS-DOTOQJQBSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCCO1 ZINC000683375912 491012513 /nfs/dbraw/zinc/01/25/13/491012513.db2.gz JGSYNIBDCMAPPS-DOTOQJQBSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000683375566 491012536 /nfs/dbraw/zinc/01/25/36/491012536.db2.gz DRWUXPOPXCEGEJ-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@H+](C)[C@@H](C(=O)NCC[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000080000195 491170275 /nfs/dbraw/zinc/17/02/75/491170275.db2.gz GEYXWNYXAIUTCL-GOSISDBHSA-N 2 1 333.476 1.906 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000080000195 491170278 /nfs/dbraw/zinc/17/02/78/491170278.db2.gz GEYXWNYXAIUTCL-GOSISDBHSA-N 2 1 333.476 1.906 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C[C@H](C)O1 ZINC000669007228 491184919 /nfs/dbraw/zinc/18/49/19/491184919.db2.gz MAUHVPRDWPZHHR-WNKDZCFJSA-N 2 1 338.496 1.127 20 0 EDADMP CC[N@@H+](CC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000153462484 527907238 /nfs/dbraw/zinc/90/72/38/527907238.db2.gz ZVIBPCWHAUKKJX-UHFFFAOYSA-N 2 1 337.508 1.870 20 0 EDADMP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CSC[NH2+]2)cc1 ZINC000164812470 528151458 /nfs/dbraw/zinc/15/14/58/528151458.db2.gz RJNCMOVUBZOFCN-MRXNPFEDSA-N 2 1 337.489 1.686 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000187123816 528533863 /nfs/dbraw/zinc/53/38/63/528533863.db2.gz FCKWUKXENVXXAJ-UHFFFAOYSA-N 2 1 348.491 1.048 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000187123816 528533866 /nfs/dbraw/zinc/53/38/66/528533866.db2.gz FCKWUKXENVXXAJ-UHFFFAOYSA-N 2 1 348.491 1.048 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000187123816 528533869 /nfs/dbraw/zinc/53/38/69/528533869.db2.gz FCKWUKXENVXXAJ-UHFFFAOYSA-N 2 1 348.491 1.048 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCc3ccccc3C(=O)OC)C2)CC1 ZINC000187002328 529151349 /nfs/dbraw/zinc/15/13/49/529151349.db2.gz XVDZZAGERVSKDP-GOSISDBHSA-N 2 1 345.487 1.728 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]([NH3+])CCSC)[NH+]1CCOCC1 ZINC000262266223 535143932 /nfs/dbraw/zinc/14/39/32/535143932.db2.gz VKLWOMQZOODXFD-CABCVRRESA-N 2 1 331.526 1.320 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000332414093 535363253 /nfs/dbraw/zinc/36/32/53/535363253.db2.gz KQXCQVCITPGOFA-HNNXBMFYSA-N 2 1 346.479 1.066 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000332414093 535363255 /nfs/dbraw/zinc/36/32/55/535363255.db2.gz KQXCQVCITPGOFA-HNNXBMFYSA-N 2 1 346.479 1.066 20 0 EDADMP CC[NH+]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000091232766 535623905 /nfs/dbraw/zinc/62/39/05/535623905.db2.gz DZGAOVXUVVYKON-UHFFFAOYSA-N 2 1 331.464 1.645 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262626383 535831949 /nfs/dbraw/zinc/83/19/49/535831949.db2.gz BVQCFAFIYAESMK-FGTMMUONSA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262626383 535831953 /nfs/dbraw/zinc/83/19/53/535831953.db2.gz BVQCFAFIYAESMK-FGTMMUONSA-N 2 1 331.460 1.392 20 0 EDADMP C[NH+](C)CCOCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000345924040 535899925 /nfs/dbraw/zinc/89/99/25/535899925.db2.gz ARKJFQRVZGLTKM-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000333280685 536166999 /nfs/dbraw/zinc/16/69/99/536166999.db2.gz PHGFXRRBGBDOAB-KBPBESRZSA-N 2 1 334.468 1.254 20 0 EDADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000333280685 536167004 /nfs/dbraw/zinc/16/70/04/536167004.db2.gz PHGFXRRBGBDOAB-KBPBESRZSA-N 2 1 334.468 1.254 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000248445000 536373232 /nfs/dbraw/zinc/37/32/32/536373232.db2.gz MHLYWZYLUYYOOR-QZTJIDSGSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248445000 536373236 /nfs/dbraw/zinc/37/32/36/536373236.db2.gz MHLYWZYLUYYOOR-QZTJIDSGSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248445000 536373239 /nfs/dbraw/zinc/37/32/39/536373239.db2.gz MHLYWZYLUYYOOR-QZTJIDSGSA-N 2 1 346.475 1.147 20 0 EDADMP C[N@H+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C(C)(C)C1 ZINC000347501175 536402114 /nfs/dbraw/zinc/40/21/14/536402114.db2.gz UDJGRWDCKJDZBZ-UHFFFAOYSA-N 2 1 344.503 1.751 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C3CC[NH2+]CC3)cc2)CC1 ZINC000237200035 536406502 /nfs/dbraw/zinc/40/65/02/536406502.db2.gz NOCXDWYMLCQULA-UHFFFAOYSA-N 2 1 330.432 1.012 20 0 EDADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)c2C)cc1 ZINC000263157141 536591758 /nfs/dbraw/zinc/59/17/58/536591758.db2.gz DOJLMSQYGZWJNR-VQIMIIECSA-N 2 1 344.459 1.227 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000252442436 536859944 /nfs/dbraw/zinc/85/99/44/536859944.db2.gz ZXYFOPCUVGPUKL-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000252442436 536859953 /nfs/dbraw/zinc/85/99/53/536859953.db2.gz ZXYFOPCUVGPUKL-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000252442436 536859957 /nfs/dbraw/zinc/85/99/57/536859957.db2.gz ZXYFOPCUVGPUKL-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=S)NCC[NH+](C)C ZINC000743035456 579468596 /nfs/dbraw/zinc/46/85/96/579468596.db2.gz DRBMUGXCOOVVGS-QGZVFWFLSA-N 2 1 334.533 1.876 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CCN(C(=S)NCCC[NH+]2CCOCC2)C1 ZINC000743023377 579468188 /nfs/dbraw/zinc/46/81/88/579468188.db2.gz CRGSCORGLKJVAW-INIZCTEOSA-N 2 1 342.553 1.247 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=S)NCCC[NH+]2CCOCC2)C1 ZINC000743023377 579468189 /nfs/dbraw/zinc/46/81/89/579468189.db2.gz CRGSCORGLKJVAW-INIZCTEOSA-N 2 1 342.553 1.247 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCn1ccnc1C ZINC000725896868 578301793 /nfs/dbraw/zinc/30/17/93/578301793.db2.gz RCBXPVKJCHFVLR-SFHVURJKSA-N 2 1 349.523 1.846 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCn1cc[nH+]c1C ZINC000725896868 578301794 /nfs/dbraw/zinc/30/17/94/578301794.db2.gz RCBXPVKJCHFVLR-SFHVURJKSA-N 3 1 349.523 1.846 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCn1cc[nH+]c1C ZINC000725896868 578301795 /nfs/dbraw/zinc/30/17/95/578301795.db2.gz RCBXPVKJCHFVLR-SFHVURJKSA-N 3 1 349.523 1.846 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)N[C@H](C)COC ZINC000751011377 579791148 /nfs/dbraw/zinc/79/11/48/579791148.db2.gz OPGZPTPRHFBZRK-HUUCEWRRSA-N 2 1 330.542 1.244 20 0 EDADMP c1cc(N2CCOCC2)nc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)[nH+]1 ZINC000770445840 580260682 /nfs/dbraw/zinc/26/06/82/580260682.db2.gz ZLBBZDOUERLFRE-INIZCTEOSA-N 2 1 347.463 1.369 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000771325402 580284216 /nfs/dbraw/zinc/28/42/16/580284216.db2.gz WDEVHVPMFGTZKE-QGZVFWFLSA-N 2 1 338.496 1.365 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H](CCO)C2CC2)CC1 ZINC000771796027 580294193 /nfs/dbraw/zinc/29/41/93/580294193.db2.gz ODKBRJJYDNZLBT-LJQANCHMSA-N 2 1 345.487 1.390 20 0 EDADMP C[C@H]([NH2+][C@H](CO)C1CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000771802996 580294550 /nfs/dbraw/zinc/29/45/50/580294550.db2.gz NAUHRVMDAUOTLF-BMGDILEWSA-N 2 1 331.460 1.126 20 0 EDADMP CCO[C@H](C)c1noc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000779652352 580493053 /nfs/dbraw/zinc/49/30/53/580493053.db2.gz HINBPBSKQZUSJB-VXGBXAGGSA-N 2 1 341.412 1.275 20 0 EDADMP CCO[C@H](C)c1noc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000779652352 580493054 /nfs/dbraw/zinc/49/30/54/580493054.db2.gz HINBPBSKQZUSJB-VXGBXAGGSA-N 2 1 341.412 1.275 20 0 EDADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000893048628 590635900 /nfs/dbraw/zinc/63/59/00/590635900.db2.gz SQRMCGAZRABSEW-VQTJNVASSA-N 3 1 331.504 1.801 20 0 EDADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000893048628 590635904 /nfs/dbraw/zinc/63/59/04/590635904.db2.gz SQRMCGAZRABSEW-VQTJNVASSA-N 3 1 331.504 1.801 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2)CCC(F)(F)F ZINC000891857237 590658143 /nfs/dbraw/zinc/65/81/43/590658143.db2.gz SPCGRQVSDMTRIM-TZMCWYRMSA-N 2 1 336.402 1.845 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000892254813 590888983 /nfs/dbraw/zinc/88/89/83/590888983.db2.gz VYVFBYLRMAAUES-CQSZACIVSA-N 2 1 342.447 1.717 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000892254813 590888985 /nfs/dbraw/zinc/88/89/85/590888985.db2.gz VYVFBYLRMAAUES-CQSZACIVSA-N 2 1 342.447 1.717 20 0 EDADMP OCc1c[nH+]ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000893484876 590902900 /nfs/dbraw/zinc/90/29/00/590902900.db2.gz PTMJNDMZPXYONG-SFHVURJKSA-N 2 1 327.428 1.699 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC[N@H+]1C ZINC000892324331 590945720 /nfs/dbraw/zinc/94/57/20/590945720.db2.gz SEUAPAKYRVOGCB-GOSISDBHSA-N 2 1 330.476 1.814 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N3C4CCC3(C[NH3+])CC4)CC2)c1 ZINC000892466134 591037215 /nfs/dbraw/zinc/03/72/15/591037215.db2.gz ZBYIUNNFWXIBHU-UHFFFAOYSA-N 2 1 329.448 1.588 20 0 EDADMP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000893682332 591044257 /nfs/dbraw/zinc/04/42/57/591044257.db2.gz AOTLFDIHMWRBNA-HNNXBMFYSA-N 2 1 327.469 1.554 20 0 EDADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000893682332 591044261 /nfs/dbraw/zinc/04/42/61/591044261.db2.gz AOTLFDIHMWRBNA-HNNXBMFYSA-N 2 1 327.469 1.554 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892484985 591044338 /nfs/dbraw/zinc/04/43/38/591044338.db2.gz RULQAKGOBGCHPJ-LSDHHAIUSA-N 2 1 340.512 1.251 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000892530588 591060013 /nfs/dbraw/zinc/06/00/13/591060013.db2.gz RVYXFKSFOBHGKH-ICSRJNTNSA-N 2 1 342.487 1.964 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1C(F)(F)F ZINC000891365715 591062439 /nfs/dbraw/zinc/06/24/39/591062439.db2.gz NOTOPVHQOWXXOL-WZRBSPASSA-N 2 1 334.386 1.249 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000892535856 591063172 /nfs/dbraw/zinc/06/31/72/591063172.db2.gz JOQBKKWVVPDHIP-WBVHZDCISA-N 2 1 334.464 1.184 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000892535856 591063176 /nfs/dbraw/zinc/06/31/76/591063176.db2.gz JOQBKKWVVPDHIP-WBVHZDCISA-N 2 1 334.464 1.184 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000892536595 591063572 /nfs/dbraw/zinc/06/35/72/591063572.db2.gz QVEONFLEXMUWLA-HKUYNNGSSA-N 2 1 346.475 1.247 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000892536595 591063575 /nfs/dbraw/zinc/06/35/75/591063575.db2.gz QVEONFLEXMUWLA-HKUYNNGSSA-N 2 1 346.475 1.247 20 0 EDADMP Nc1cc[nH+]c(CNC(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000891411112 591069439 /nfs/dbraw/zinc/06/94/39/591069439.db2.gz CEXYSCMOFPNJLJ-UHFFFAOYSA-N 2 1 331.445 1.583 20 0 EDADMP Nc1cc[nH+]c(CNC(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000891411112 591069444 /nfs/dbraw/zinc/06/94/44/591069444.db2.gz CEXYSCMOFPNJLJ-UHFFFAOYSA-N 2 1 331.445 1.583 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000893742923 591072881 /nfs/dbraw/zinc/07/28/81/591072881.db2.gz MXQFNGVYJXBEKR-PVAVHDDUSA-N 2 1 338.496 1.148 20 0 EDADMP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000892588120 591083769 /nfs/dbraw/zinc/08/37/69/591083769.db2.gz VXLAHXOUAAMHSM-XLNGHYISSA-N 2 1 329.448 1.268 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1cccc(F)c1 ZINC000891534212 591110816 /nfs/dbraw/zinc/11/08/16/591110816.db2.gz AZLLLTVHETYUTK-UAGQMJEPSA-N 2 1 334.439 1.774 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)N3CCC[C@@H]3C[NH3+])CC2)oc1C ZINC000891544342 591117956 /nfs/dbraw/zinc/11/79/56/591117956.db2.gz PJOQXQAUNDCTJL-MRXNPFEDSA-N 2 1 349.479 1.636 20 0 EDADMP C[NH+]1CC[C@@H](NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)[C@H]1c1ccccc1 ZINC000893873938 591124680 /nfs/dbraw/zinc/12/46/80/591124680.db2.gz DUDGFTNCEKUTML-BSDSXHPESA-N 2 1 328.460 1.777 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@@H]1c1ccccc1 ZINC000891722497 591198783 /nfs/dbraw/zinc/19/87/83/591198783.db2.gz CWFPPZVODUCLKU-MJQMVNBJSA-N 2 1 328.460 1.683 20 0 EDADMP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000891748672 591209104 /nfs/dbraw/zinc/20/91/04/591209104.db2.gz SBVAUAQSVGLQNU-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000891748672 591209107 /nfs/dbraw/zinc/20/91/07/591209107.db2.gz SBVAUAQSVGLQNU-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000891748672 591209110 /nfs/dbraw/zinc/20/91/10/591209110.db2.gz SBVAUAQSVGLQNU-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1=CC[N@@H+](C)CC1 ZINC000891766855 591217327 /nfs/dbraw/zinc/21/73/27/591217327.db2.gz YEIUZLSRMRJTCB-ZBFHGGJFSA-N 2 1 336.480 1.095 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H]2[C@@H](C(=O)OC)C2(F)F)CC1 ZINC000894174380 591217401 /nfs/dbraw/zinc/21/74/01/591217401.db2.gz SFJMPUKMICCIKQ-KGLIPLIRSA-N 2 1 333.423 1.048 20 0 EDADMP COC(=O)[C@@]1(O)CC[N@@H+](CC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000895707076 591256114 /nfs/dbraw/zinc/25/61/14/591256114.db2.gz IKIBDVUXLTXZBS-LJQANCHMSA-N 2 1 334.460 1.754 20 0 EDADMP COC(=O)[C@@]1(O)CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000895707076 591256115 /nfs/dbraw/zinc/25/61/15/591256115.db2.gz IKIBDVUXLTXZBS-LJQANCHMSA-N 2 1 334.460 1.754 20 0 EDADMP COC(=O)[C@@]1(O)CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000895707076 591256118 /nfs/dbraw/zinc/25/61/18/591256118.db2.gz IKIBDVUXLTXZBS-LJQANCHMSA-N 2 1 334.460 1.754 20 0 EDADMP COC(=O)[C@@]1(O)CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000895707076 591256119 /nfs/dbraw/zinc/25/61/19/591256119.db2.gz IKIBDVUXLTXZBS-LJQANCHMSA-N 2 1 334.460 1.754 20 0 EDADMP COC(=O)[C@@]1(O)CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000895707076 591256121 /nfs/dbraw/zinc/25/61/21/591256121.db2.gz IKIBDVUXLTXZBS-LJQANCHMSA-N 2 1 334.460 1.754 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[NH+]4C)C2)CC1 ZINC000893025265 591258337 /nfs/dbraw/zinc/25/83/37/591258337.db2.gz YZHMRXSIIXOERU-RYQLBKOJSA-N 2 1 349.523 1.033 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4C)C2)CC1 ZINC000893025265 591258339 /nfs/dbraw/zinc/25/83/39/591258339.db2.gz YZHMRXSIIXOERU-RYQLBKOJSA-N 2 1 349.523 1.033 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4C)C2)CC1 ZINC000893025265 591258341 /nfs/dbraw/zinc/25/83/41/591258341.db2.gz YZHMRXSIIXOERU-RYQLBKOJSA-N 2 1 349.523 1.033 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4C)C2)CC1 ZINC000893025265 591258344 /nfs/dbraw/zinc/25/83/44/591258344.db2.gz YZHMRXSIIXOERU-RYQLBKOJSA-N 2 1 349.523 1.033 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4C)C2)CC1 ZINC000893025265 591258347 /nfs/dbraw/zinc/25/83/47/591258347.db2.gz YZHMRXSIIXOERU-RYQLBKOJSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C(=O)NCC23CCOCC3)CC1 ZINC000895769663 591268785 /nfs/dbraw/zinc/26/87/85/591268785.db2.gz AZVDSUNJTFNVOQ-NJAFHUGGSA-N 2 1 349.519 1.914 20 0 EDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)CC1 ZINC000895932280 591306400 /nfs/dbraw/zinc/30/64/00/591306400.db2.gz MAMUNEOYCDDRNA-SQNIBIBYSA-N 2 1 337.508 1.460 20 0 EDADMP CN1CCC[C@H]1c1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)[nH]n1 ZINC000896182535 591372275 /nfs/dbraw/zinc/37/22/75/591372275.db2.gz QOAYKJBXNJMSRH-YOEHRIQHSA-N 2 1 331.464 1.877 20 0 EDADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)n[nH]1 ZINC000896182535 591372280 /nfs/dbraw/zinc/37/22/80/591372280.db2.gz QOAYKJBXNJMSRH-YOEHRIQHSA-N 2 1 331.464 1.877 20 0 EDADMP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000896302240 591413972 /nfs/dbraw/zinc/41/39/72/591413972.db2.gz XWOLFZNLTRSQJW-SFHVURJKSA-N 2 1 335.492 1.624 20 0 EDADMP O=C(C1C[NH+](C2CCOCC2)C1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000909412916 591447431 /nfs/dbraw/zinc/44/74/31/591447431.db2.gz XTHRQELRKSWJRN-GOSISDBHSA-N 2 1 329.444 1.270 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000896546556 591508915 /nfs/dbraw/zinc/50/89/15/591508915.db2.gz XFNGDAYAQDQBDR-QFBILLFUSA-N 2 1 346.519 1.893 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000896812390 591618004 /nfs/dbraw/zinc/61/80/04/591618004.db2.gz ZLLKHDUBHFQVSE-HOTGVXAUSA-N 2 1 325.497 1.819 20 0 EDADMP Cc1nc2ccccn2c1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000898963045 591618429 /nfs/dbraw/zinc/61/84/29/591618429.db2.gz WPVFJWCYWLQQQI-OAHLLOKOSA-N 2 1 345.447 1.289 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)[C@@H]1c1ccccc1 ZINC000897881151 591704785 /nfs/dbraw/zinc/70/47/85/591704785.db2.gz PQIXZFYFVGBQGA-FHWLQOOXSA-N 2 1 345.487 1.642 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)[C@@H]1c1ccccc1 ZINC000897881151 591704788 /nfs/dbraw/zinc/70/47/88/591704788.db2.gz PQIXZFYFVGBQGA-FHWLQOOXSA-N 2 1 345.487 1.642 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCO)[C@@H]1c1ccccc1 ZINC000897881151 591704791 /nfs/dbraw/zinc/70/47/91/591704791.db2.gz PQIXZFYFVGBQGA-FHWLQOOXSA-N 2 1 345.487 1.642 20 0 EDADMP CO[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)Cc3cccnc3N2C1 ZINC000899163772 591712510 /nfs/dbraw/zinc/71/25/10/591712510.db2.gz JQQIFLHDAJJYNF-BZUAXINKSA-N 2 1 330.432 1.112 20 0 EDADMP CO[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C)Cc3cccnc3N2C1 ZINC000899163772 591712513 /nfs/dbraw/zinc/71/25/13/591712513.db2.gz JQQIFLHDAJJYNF-BZUAXINKSA-N 2 1 330.432 1.112 20 0 EDADMP CO[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)Cc3cccnc3N2C1 ZINC000899163800 591712673 /nfs/dbraw/zinc/71/26/73/591712673.db2.gz JQQIFLHDAJJYNF-XHSDSOJGSA-N 2 1 330.432 1.112 20 0 EDADMP CO[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C)Cc3cccnc3N2C1 ZINC000899163800 591712676 /nfs/dbraw/zinc/71/26/76/591712676.db2.gz JQQIFLHDAJJYNF-XHSDSOJGSA-N 2 1 330.432 1.112 20 0 EDADMP CS[C@@H]1CN(C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C[C@@H]1[NH+](C)C ZINC000897237539 591781881 /nfs/dbraw/zinc/78/18/81/591781881.db2.gz LHYWTQPUOLINSL-QLFBSQMISA-N 2 1 337.493 1.294 20 0 EDADMP CS[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@@H]1[NH+](C)C ZINC000897237539 591781882 /nfs/dbraw/zinc/78/18/82/591781882.db2.gz LHYWTQPUOLINSL-QLFBSQMISA-N 2 1 337.493 1.294 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000898274512 591848931 /nfs/dbraw/zinc/84/89/31/591848931.db2.gz CPJAXHWXWWDDAD-FHWLQOOXSA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000898274512 591848934 /nfs/dbraw/zinc/84/89/34/591848934.db2.gz CPJAXHWXWWDDAD-FHWLQOOXSA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000898274512 591848938 /nfs/dbraw/zinc/84/89/38/591848938.db2.gz CPJAXHWXWWDDAD-FHWLQOOXSA-N 2 1 343.471 1.583 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000900016988 591869682 /nfs/dbraw/zinc/86/96/82/591869682.db2.gz XCJYUZBSPWUFLP-QUCCMNQESA-N 2 1 345.487 1.744 20 0 EDADMP C[C@@H](C(=O)NCC[N@@H+](C)CCO)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000899733876 591929731 /nfs/dbraw/zinc/92/97/31/591929731.db2.gz LTIOJIJXCRCQNH-KRWDZBQOSA-N 2 1 347.503 1.370 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900214334 591945386 /nfs/dbraw/zinc/94/53/86/591945386.db2.gz CDIJAKLVNAUFCP-INIZCTEOSA-N 2 1 335.496 1.687 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900336415 591988310 /nfs/dbraw/zinc/98/83/10/591988310.db2.gz SWIFJDSMKWTDAP-KRXQYRFLSA-N 2 1 325.497 1.314 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900336415 591988298 /nfs/dbraw/zinc/98/82/98/591988298.db2.gz SWIFJDSMKWTDAP-KRXQYRFLSA-N 2 1 325.497 1.314 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900336415 591988302 /nfs/dbraw/zinc/98/83/02/591988302.db2.gz SWIFJDSMKWTDAP-KRXQYRFLSA-N 2 1 325.497 1.314 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900336415 591988306 /nfs/dbraw/zinc/98/83/06/591988306.db2.gz SWIFJDSMKWTDAP-KRXQYRFLSA-N 2 1 325.497 1.314 20 0 EDADMP CNc1nc(C)ccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000900338873 591989109 /nfs/dbraw/zinc/98/91/09/591989109.db2.gz KRSPUSAKXRWDDF-UHFFFAOYSA-N 2 1 340.431 1.831 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000900401376 592008620 /nfs/dbraw/zinc/00/86/20/592008620.db2.gz WDBYAIBGKLPRCF-UHFFFAOYSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)c1nnc(CONC(=[NH2+])[C@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000902806144 592062916 /nfs/dbraw/zinc/06/29/16/592062916.db2.gz LVTDLLUWJQTYQK-WDEREUQCSA-N 2 1 325.438 1.523 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1COc2ccccc2C1 ZINC000902790177 592064412 /nfs/dbraw/zinc/06/44/12/592064412.db2.gz NBWGFOIBEGDQSG-NVXWUHKLSA-N 2 1 331.460 1.380 20 0 EDADMP Cc1cccc(C)c1NC(=O)CONC(=[NH2+])[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902811586 592068799 /nfs/dbraw/zinc/06/87/99/592068799.db2.gz ZMTAJHRMYVBZIH-LSDHHAIUSA-N 2 1 346.431 1.604 20 0 EDADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000902932497 592086631 /nfs/dbraw/zinc/08/66/31/592086631.db2.gz CIADGMHYYHKFCB-MRXNPFEDSA-N 2 1 331.464 1.572 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H](CC(C)C)[NH+](C)C)C1 ZINC000900684605 592093689 /nfs/dbraw/zinc/09/36/89/592093689.db2.gz RYXKQBJYXLAGBC-HOTGVXAUSA-N 2 1 341.496 1.354 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H](CC(C)C)[NH+](C)C)C1 ZINC000900684605 592093692 /nfs/dbraw/zinc/09/36/92/592093692.db2.gz RYXKQBJYXLAGBC-HOTGVXAUSA-N 2 1 341.496 1.354 20 0 EDADMP CCCCc1noc([C@H](C)[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)n1 ZINC000903491952 592185184 /nfs/dbraw/zinc/18/51/84/592185184.db2.gz HMBIMQVDWZMQSA-JRATXPSKSA-N 2 1 336.436 1.686 20 0 EDADMP C[C@@H]1CCC[C@H](C)N1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511063 592190486 /nfs/dbraw/zinc/19/04/86/592190486.db2.gz NBBLPSQPIQHGMM-AMBYYYRHSA-N 2 1 348.535 1.677 20 0 EDADMP Cn1nc(C2CC2)nc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507325 592198974 /nfs/dbraw/zinc/19/89/74/592198974.db2.gz WFCQDXSDENXXEQ-IYBDPMFKSA-N 2 1 330.480 1.093 20 0 EDADMP COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)C[C@H]3C[C@@H]([NH3+])C3)C2=O)c1 ZINC000904345515 592235192 /nfs/dbraw/zinc/23/51/92/592235192.db2.gz IZFULQVKWOEUKG-IIYDPXPESA-N 2 1 333.432 1.478 20 0 EDADMP c1cc(N2CC[NH2+]CC2)oc1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000904356393 592237642 /nfs/dbraw/zinc/23/76/42/592237642.db2.gz WPFNRJFGSQGNSL-GOSISDBHSA-N 2 1 326.444 1.666 20 0 EDADMP CC[N@@H+](CC(=O)Nc1ccccc1OC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718124 592280702 /nfs/dbraw/zinc/28/07/02/592280702.db2.gz HFGJTFDOGINADY-DNVCBOLYSA-N 2 1 347.459 1.724 20 0 EDADMP CC[N@H+](CC(=O)Nc1ccccc1OC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718124 592280703 /nfs/dbraw/zinc/28/07/03/592280703.db2.gz HFGJTFDOGINADY-DNVCBOLYSA-N 2 1 347.459 1.724 20 0 EDADMP O=C(c1ccccc1)N1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723053 592283877 /nfs/dbraw/zinc/28/38/77/592283877.db2.gz SPGVLPMZHIIACB-UYAOXDASSA-N 2 1 343.471 1.603 20 0 EDADMP C[N@@H+](CC(=O)NCc1cccs1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903728397 592286399 /nfs/dbraw/zinc/28/63/99/592286399.db2.gz AJKDURVSWJFOJO-AWEZNQCLSA-N 2 1 337.489 1.455 20 0 EDADMP C[N@H+](CC(=O)NCc1cccs1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903728397 592286402 /nfs/dbraw/zinc/28/64/02/592286402.db2.gz AJKDURVSWJFOJO-AWEZNQCLSA-N 2 1 337.489 1.455 20 0 EDADMP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000903729408 592287088 /nfs/dbraw/zinc/28/70/88/592287088.db2.gz MGPASISCJDMILU-OLZOCXBDSA-N 2 1 349.397 1.240 20 0 EDADMP COCC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903730548 592287412 /nfs/dbraw/zinc/28/74/12/592287412.db2.gz XEIQAWNLYMEJBM-LPHOPBHVSA-N 2 1 348.443 1.632 20 0 EDADMP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903751648 592295622 /nfs/dbraw/zinc/29/56/22/592295622.db2.gz IEJSWLKLCKNXEI-KBPBESRZSA-N 2 1 325.478 1.717 20 0 EDADMP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903751648 592295625 /nfs/dbraw/zinc/29/56/25/592295625.db2.gz IEJSWLKLCKNXEI-KBPBESRZSA-N 2 1 325.478 1.717 20 0 EDADMP CCOCCN1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1CC ZINC000903739678 592301126 /nfs/dbraw/zinc/30/11/26/592301126.db2.gz NXQJYBATGSVRMB-QZTJIDSGSA-N 2 1 339.524 1.578 20 0 EDADMP CCOCC[N@@H+]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1CC ZINC000903739678 592301130 /nfs/dbraw/zinc/30/11/30/592301130.db2.gz NXQJYBATGSVRMB-QZTJIDSGSA-N 2 1 339.524 1.578 20 0 EDADMP CCOCC[N@H+]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1CC ZINC000903739678 592301133 /nfs/dbraw/zinc/30/11/33/592301133.db2.gz NXQJYBATGSVRMB-QZTJIDSGSA-N 2 1 339.524 1.578 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904651501 592303796 /nfs/dbraw/zinc/30/37/96/592303796.db2.gz DPXLKYFWDMPFAO-CYBMUJFWSA-N 2 1 334.420 1.246 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCC[C@@H](C(F)(F)F)O3)C2)nn1 ZINC000903760991 592308112 /nfs/dbraw/zinc/30/81/12/592308112.db2.gz MKXGYWUBFAADRY-RDBSUJKOSA-N 2 1 347.385 1.874 20 0 EDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1CC(F)F ZINC000903756839 592313279 /nfs/dbraw/zinc/31/32/79/592313279.db2.gz WMPQMTMEBAHYGA-CABCVRRESA-N 2 1 331.451 1.806 20 0 EDADMP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2C[C@]3(CC[NH2+]C3)CO2)no1 ZINC000903780508 592320561 /nfs/dbraw/zinc/32/05/61/592320561.db2.gz HUDAELCWDCNXBW-QZFBELJMSA-N 2 1 332.448 1.857 20 0 EDADMP COC(=O)C(C)(C)C[N@@H+](CC(C)C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903783748 592321040 /nfs/dbraw/zinc/32/10/40/592321040.db2.gz BSFUEIYRNVZVOB-CRAIPNDOSA-N 2 1 326.481 1.912 20 0 EDADMP Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819906 592333333 /nfs/dbraw/zinc/33/33/33/592333333.db2.gz PUSAGHFGCSWRGX-GOSISDBHSA-N 2 1 348.487 1.888 20 0 EDADMP Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819906 592333338 /nfs/dbraw/zinc/33/33/38/592333338.db2.gz PUSAGHFGCSWRGX-GOSISDBHSA-N 2 1 348.487 1.888 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000903832932 592337853 /nfs/dbraw/zinc/33/78/53/592337853.db2.gz TUHAHIBZQDREJT-UHFFFAOYSA-N 2 1 327.432 1.330 20 0 EDADMP Cc1nc(C[C@@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)no1 ZINC000903890702 592352467 /nfs/dbraw/zinc/35/24/67/592352467.db2.gz GNKDVHNEKVYFQY-GJZGRUSLSA-N 2 1 345.451 1.349 20 0 EDADMP Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)no1 ZINC000903890702 592352471 /nfs/dbraw/zinc/35/24/71/592352471.db2.gz GNKDVHNEKVYFQY-GJZGRUSLSA-N 2 1 345.451 1.349 20 0 EDADMP Cc1nc(C[C@@H]2CCC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000903890713 592352687 /nfs/dbraw/zinc/35/26/87/592352687.db2.gz GNKDVHNEKVYFQY-LSDHHAIUSA-N 2 1 345.451 1.349 20 0 EDADMP Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000903890713 592352691 /nfs/dbraw/zinc/35/26/91/592352691.db2.gz GNKDVHNEKVYFQY-LSDHHAIUSA-N 2 1 345.451 1.349 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)C1 ZINC000906806115 592353863 /nfs/dbraw/zinc/35/38/63/592353863.db2.gz IGSUCJZEZQTPAZ-GJZGRUSLSA-N 2 1 338.521 1.744 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+]C[C@@](C)(O)C(F)F)[C@H](c2ccccc2)C1 ZINC000905033144 592371688 /nfs/dbraw/zinc/37/16/88/592371688.db2.gz CIKVZYIQFJCCRJ-FUHWJXTLSA-N 2 1 341.446 1.971 20 0 EDADMP Fc1ccc(O[C@H]2CC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000903937220 592388017 /nfs/dbraw/zinc/38/80/17/592388017.db2.gz FBXYQTBIKOGLRT-YJBOKZPZSA-N 2 1 345.422 1.995 20 0 EDADMP Fc1ccc(O[C@H]2CC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000903937220 592388023 /nfs/dbraw/zinc/38/80/23/592388023.db2.gz FBXYQTBIKOGLRT-YJBOKZPZSA-N 2 1 345.422 1.995 20 0 EDADMP CCOC(=O)N1CCC([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903972709 592397806 /nfs/dbraw/zinc/39/78/06/592397806.db2.gz KIBIAMBUKOIROE-HNNXBMFYSA-N 2 1 325.453 1.356 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc3c(c1)ncn3C)C2 ZINC000903976835 592398274 /nfs/dbraw/zinc/39/82/74/592398274.db2.gz CUZIMMXVCSTEQH-IYOUNJFTSA-N 2 1 328.416 1.286 20 0 EDADMP CN1CCN(c2ccc(-c3noc(C[C@H]4CC[N@@H+](C)C4)n3)cn2)CC1 ZINC000903975444 592398361 /nfs/dbraw/zinc/39/83/61/592398361.db2.gz DAHCOVOCNIQEMI-CQSZACIVSA-N 2 1 342.447 1.378 20 0 EDADMP C[N@H+]1CC[C@H](Cc2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)C1 ZINC000903975444 592398372 /nfs/dbraw/zinc/39/83/72/592398372.db2.gz DAHCOVOCNIQEMI-CQSZACIVSA-N 2 1 342.447 1.378 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nn(C)c(C)c1Cl)C2 ZINC000903977531 592399862 /nfs/dbraw/zinc/39/98/62/592399862.db2.gz SCSKCWFWLHLNJD-RWSFTLGLSA-N 2 1 326.828 1.094 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1nn(C)c(C)c1Cl)C2 ZINC000903977531 592399868 /nfs/dbraw/zinc/39/98/68/592399868.db2.gz SCSKCWFWLHLNJD-RWSFTLGLSA-N 2 1 326.828 1.094 20 0 EDADMP CCn1c(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)nc2ccccc21 ZINC000903978871 592400674 /nfs/dbraw/zinc/40/06/74/592400674.db2.gz NVPCKTTUYXDXDF-KSMMKXTCSA-N 2 1 342.443 1.769 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000903966739 592402378 /nfs/dbraw/zinc/40/23/78/592402378.db2.gz AOICMRZKGXZBND-PBHICJAKSA-N 2 1 331.460 1.537 20 0 EDADMP c1cc(-c2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)ccc1C[NH+]1CCOCC1 ZINC000904100740 592425727 /nfs/dbraw/zinc/42/57/27/592425727.db2.gz GLAAZTMBZKAMGB-IXDOHACOSA-N 2 1 340.427 1.892 20 0 EDADMP O[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CC1(O)CCCC1 ZINC000905202258 592462535 /nfs/dbraw/zinc/46/25/35/592462535.db2.gz GNWXDXUFNXMEET-RBUKOAKNSA-N 2 1 348.487 1.399 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C[C@@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000904318142 592475940 /nfs/dbraw/zinc/47/59/40/592475940.db2.gz MQLHTUNNYCPLMZ-OALUTQOASA-N 2 1 338.540 1.103 20 0 EDADMP C[C@@](O)(C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(F)(F)C(F)(F)F ZINC000905349347 592502383 /nfs/dbraw/zinc/50/23/83/592502383.db2.gz KEUFLNHZUHWETA-VXGBXAGGSA-N 2 1 348.356 1.762 20 0 EDADMP C[NH+](C)C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000905331634 592507901 /nfs/dbraw/zinc/50/79/01/592507901.db2.gz ORYHCTIHJFDUBB-MRXNPFEDSA-N 2 1 325.478 1.208 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905334300 592508927 /nfs/dbraw/zinc/50/89/27/592508927.db2.gz QIUOUIOYGTZIRO-GASCZTMLSA-N 2 1 331.526 1.273 20 0 EDADMP CC[C@@](O)(C[NH2+][C@H]1CCc2c([nH+]c(C)n2CCO)C1)C(F)(F)F ZINC000905369821 592517842 /nfs/dbraw/zinc/51/78/42/592517842.db2.gz CJDUQFRWGQOWNS-SMDDNHRTSA-N 2 1 335.370 1.334 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)C3(O)CCCC3)C2)[C@@H]1C(C)C ZINC000905502556 592546213 /nfs/dbraw/zinc/54/62/13/592546213.db2.gz KQMJBDIDJZEYMI-ZBRFXRBCSA-N 2 1 340.508 1.112 20 0 EDADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000907306937 592578903 /nfs/dbraw/zinc/57/89/03/592578903.db2.gz QTSBYQZGNWUQAF-HKUYNNGSSA-N 2 1 339.524 1.802 20 0 EDADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000907306940 592578965 /nfs/dbraw/zinc/57/89/65/592578965.db2.gz QTSBYQZGNWUQAF-PKOBYXMFSA-N 2 1 339.524 1.802 20 0 EDADMP COc1c(C)c[nH+]c(Cn2cc(CN3CCC([NH3+])CC3)nn2)c1C ZINC000905792506 592642266 /nfs/dbraw/zinc/64/22/66/592642266.db2.gz FIGDKUYHTGHKKL-UHFFFAOYSA-N 2 1 330.436 1.270 20 0 EDADMP Cc1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)CCC3(O)CCC3)C2)nc(C)[nH+]1 ZINC000905931296 592687277 /nfs/dbraw/zinc/68/72/77/592687277.db2.gz LCKCERDNQZSLFA-SJORKVTESA-N 2 1 348.491 1.708 20 0 EDADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)[C@@H](C)C1 ZINC000907515751 592698505 /nfs/dbraw/zinc/69/85/05/592698505.db2.gz DCIKTAJIBIPCQB-LSDHHAIUSA-N 2 1 344.459 1.818 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)[C@@H](C)C1 ZINC000907515751 592698507 /nfs/dbraw/zinc/69/85/07/592698507.db2.gz DCIKTAJIBIPCQB-LSDHHAIUSA-N 2 1 344.459 1.818 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000906085239 592738599 /nfs/dbraw/zinc/73/85/99/592738599.db2.gz KBYMARWPCCBUIP-NXHRZFHOSA-N 2 1 333.476 1.626 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000906085955 592738825 /nfs/dbraw/zinc/73/88/25/592738825.db2.gz GXDIQUFBHQEYML-NXHRZFHOSA-N 2 1 333.476 1.766 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000906085955 592738827 /nfs/dbraw/zinc/73/88/27/592738827.db2.gz GXDIQUFBHQEYML-NXHRZFHOSA-N 2 1 333.476 1.766 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)[C@@H](C)C1 ZINC000910278697 592818650 /nfs/dbraw/zinc/81/86/50/592818650.db2.gz GAELCUURXSSUMQ-ZDUSSCGKSA-N 2 1 344.463 1.779 20 0 EDADMP CC[N@H+]1CCCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)[C@@H](C)C1 ZINC000910278697 592818653 /nfs/dbraw/zinc/81/86/53/592818653.db2.gz GAELCUURXSSUMQ-ZDUSSCGKSA-N 2 1 344.463 1.779 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906450459 592824207 /nfs/dbraw/zinc/82/42/07/592824207.db2.gz DGXFTNMWZRZMJH-JZXOWHBKSA-N 2 1 336.524 1.344 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906450459 592824209 /nfs/dbraw/zinc/82/42/09/592824209.db2.gz DGXFTNMWZRZMJH-JZXOWHBKSA-N 2 1 336.524 1.344 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)[C@@H]1c1cccnc1 ZINC000910420499 592860765 /nfs/dbraw/zinc/86/07/65/592860765.db2.gz BZYYNXCCXBDCSV-WDSOQIARSA-N 2 1 346.475 1.037 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cc(Br)ccc2OC)C1 ZINC000911657775 592978581 /nfs/dbraw/zinc/97/85/81/592978581.db2.gz ZILLGOGOHFFNAY-MFKMUULPSA-N 2 1 342.237 1.278 20 0 EDADMP CC[C@H](C(=O)N1CCC(OCCC[NH3+])CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911875016 593029097 /nfs/dbraw/zinc/02/90/97/593029097.db2.gz IOWGEJUYUUGIEN-NVXWUHKLSA-N 2 1 341.496 1.232 20 0 EDADMP CC[C@H](C(=O)N1CCC(OCCC[NH3+])CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911875016 593029098 /nfs/dbraw/zinc/02/90/98/593029098.db2.gz IOWGEJUYUUGIEN-NVXWUHKLSA-N 2 1 341.496 1.232 20 0 EDADMP CC[N@@H+](CCCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C1CCCCC1 ZINC000911878102 593029670 /nfs/dbraw/zinc/02/96/70/593029670.db2.gz JAACQUPLYIJLHS-WMZOPIPTSA-N 2 1 325.497 1.602 20 0 EDADMP CC[NH+](CCCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)C1CCCCC1 ZINC000911878102 593029672 /nfs/dbraw/zinc/02/96/72/593029672.db2.gz JAACQUPLYIJLHS-WMZOPIPTSA-N 2 1 325.497 1.602 20 0 EDADMP CC[NH+](CCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C1CCCCC1 ZINC000911878102 593029674 /nfs/dbraw/zinc/02/96/74/593029674.db2.gz JAACQUPLYIJLHS-WMZOPIPTSA-N 2 1 325.497 1.602 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)CC1 ZINC000912029875 593050012 /nfs/dbraw/zinc/05/00/12/593050012.db2.gz CFSWCKDCUCSSAI-KRWDZBQOSA-N 2 1 338.540 1.591 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(CN3C[C@@](C)(c4ccccn4)CC3=O)C2)C1 ZINC000840086154 593154303 /nfs/dbraw/zinc/15/43/03/593154303.db2.gz KRKXPQZNLISYGA-PMACEKPBSA-N 2 1 342.487 1.947 20 0 EDADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849072 593510794 /nfs/dbraw/zinc/51/07/94/593510794.db2.gz OCJGEOSITQWPDU-QFBILLFUSA-N 2 1 333.476 1.595 20 0 EDADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849072 593510795 /nfs/dbraw/zinc/51/07/95/593510795.db2.gz OCJGEOSITQWPDU-QFBILLFUSA-N 2 1 333.476 1.595 20 0 EDADMP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000813826425 593556942 /nfs/dbraw/zinc/55/69/42/593556942.db2.gz OVARCRUCGBWTIO-WMZOPIPTSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000813826425 593556943 /nfs/dbraw/zinc/55/69/43/593556943.db2.gz OVARCRUCGBWTIO-WMZOPIPTSA-N 2 1 331.460 1.488 20 0 EDADMP Cc1ccccc1[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000818998201 593733253 /nfs/dbraw/zinc/73/32/53/593733253.db2.gz QEPBFQZEYVDIMH-ROUUACIJSA-N 2 1 333.476 1.561 20 0 EDADMP Cc1ccccc1[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000818998201 593733254 /nfs/dbraw/zinc/73/32/54/593733254.db2.gz QEPBFQZEYVDIMH-ROUUACIJSA-N 2 1 333.476 1.561 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625077 593886236 /nfs/dbraw/zinc/88/62/36/593886236.db2.gz FCZPBSJAGWHPRE-RDJZCZTQSA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625077 593886238 /nfs/dbraw/zinc/88/62/38/593886238.db2.gz FCZPBSJAGWHPRE-RDJZCZTQSA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625077 593886239 /nfs/dbraw/zinc/88/62/39/593886239.db2.gz FCZPBSJAGWHPRE-RDJZCZTQSA-N 2 1 342.447 1.662 20 0 EDADMP NS(=O)(=O)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000820806567 593894438 /nfs/dbraw/zinc/89/44/38/593894438.db2.gz LBQIANCFSCQCKJ-ZXFUBFMLSA-N 2 1 349.500 1.624 20 0 EDADMP C[C@H]1CC[NH2+][C@H](c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)C1 ZINC000823094327 594152369 /nfs/dbraw/zinc/15/23/69/594152369.db2.gz OQWZCMPIBQGEEL-JSGCOSHPSA-N 2 1 335.452 1.225 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)c1nc2c(cc1-c1nn[nH]n1)CCCC2 ZINC000826028533 594310014 /nfs/dbraw/zinc/31/00/14/594310014.db2.gz BVBCCYVRXMAYSL-CYBMUJFWSA-N 2 1 341.463 1.919 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCCCCCC[NH3+] ZINC000831110213 594558495 /nfs/dbraw/zinc/55/84/95/594558495.db2.gz KDDCSLBOQVLTMF-UHFFFAOYSA-N 2 1 330.436 1.894 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]([NH3+])C3CC3)C2)cc(OC)c1 ZINC000831184785 594577049 /nfs/dbraw/zinc/57/70/49/594577049.db2.gz VBTDPICETPSGRI-CRAIPNDOSA-N 2 1 347.459 1.522 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]([NH3+])C3CC3)C2)cc(OC)c1 ZINC000831184785 594577051 /nfs/dbraw/zinc/57/70/51/594577051.db2.gz VBTDPICETPSGRI-CRAIPNDOSA-N 2 1 347.459 1.522 20 0 EDADMP CN1CC[NH+](C2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)CC1 ZINC000827449557 594673254 /nfs/dbraw/zinc/67/32/54/594673254.db2.gz FELQLCDOXHQVDN-IBGZPJMESA-N 2 1 344.503 1.528 20 0 EDADMP C[NH+]1CCN(c2ncc(CNc3ccc(OCC[NH3+])cc3)cn2)CC1 ZINC000841052597 594844804 /nfs/dbraw/zinc/84/48/04/594844804.db2.gz GSUMZYZYCOBKAP-UHFFFAOYSA-N 2 1 342.447 1.178 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(OCC[NH3+])c3)C2)C1 ZINC000841281924 594880908 /nfs/dbraw/zinc/88/09/08/594880908.db2.gz NCEBFFNJOHQRNK-GOSISDBHSA-N 2 1 332.448 1.974 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000841876630 594971827 /nfs/dbraw/zinc/97/18/27/594971827.db2.gz VIXIHICVFISPIX-XOYOTBSWSA-N 2 1 330.476 1.934 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)NCc2ccc(CC[NH3+])cc2)CC1(C)C ZINC000841895441 594975894 /nfs/dbraw/zinc/97/58/94/594975894.db2.gz DMBVQJWXEAQTMB-UHFFFAOYSA-N 2 1 347.507 1.013 20 0 EDADMP C[C@@]1(CNC(=O)N2CC[C@@H](C[NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841896448 594976352 /nfs/dbraw/zinc/97/63/52/594976352.db2.gz MJOYCHKRIBMHKB-HKUYNNGSSA-N 2 1 330.476 1.889 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000841899082 594977144 /nfs/dbraw/zinc/97/71/44/594977144.db2.gz SDMPPCODOHULDW-VQIMIIECSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH2+]CCCc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000843200875 595031891 /nfs/dbraw/zinc/03/18/91/595031891.db2.gz MHXGAMJTZODALX-UHFFFAOYSA-N 2 1 343.431 1.276 20 0 EDADMP Cc1cc(C)c(N2CC[C@H]([N@H+](C)CCN3CC[NH2+]CC3)C2=O)c(C)c1 ZINC000843349359 595082624 /nfs/dbraw/zinc/08/26/24/595082624.db2.gz WOUFQMJLKCQNPF-SFHVURJKSA-N 2 1 344.503 1.554 20 0 EDADMP Cc1cc(C)c(N2CC[C@H]([N@@H+](C)CCN3CC[NH2+]CC3)C2=O)c(C)c1 ZINC000843349359 595082628 /nfs/dbraw/zinc/08/26/28/595082628.db2.gz WOUFQMJLKCQNPF-SFHVURJKSA-N 2 1 344.503 1.554 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+](C)C2CCC([NH3+])CC2)c1OC ZINC000843354181 595084762 /nfs/dbraw/zinc/08/47/62/595084762.db2.gz WFLDIIPBYRDPQG-UHFFFAOYSA-N 2 1 349.475 1.864 20 0 EDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000842471548 595113508 /nfs/dbraw/zinc/11/35/08/595113508.db2.gz IHNGBQQCWPRTDG-INIZCTEOSA-N 2 1 346.475 1.393 20 0 EDADMP CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000842474598 595114225 /nfs/dbraw/zinc/11/42/25/595114225.db2.gz AURAWGXAFDSMQE-GOSISDBHSA-N 2 1 344.503 1.902 20 0 EDADMP CC(C)(C)c1ccc(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000842474598 595114227 /nfs/dbraw/zinc/11/42/27/595114227.db2.gz AURAWGXAFDSMQE-GOSISDBHSA-N 2 1 344.503 1.902 20 0 EDADMP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000844167437 595289351 /nfs/dbraw/zinc/28/93/51/595289351.db2.gz IAHQQCJSWHTLRE-SFHVURJKSA-N 2 1 349.450 1.629 20 0 EDADMP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000844167437 595289353 /nfs/dbraw/zinc/28/93/53/595289353.db2.gz IAHQQCJSWHTLRE-SFHVURJKSA-N 2 1 349.450 1.629 20 0 EDADMP O=C1C[NH2+]CCN1Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000843173698 595299229 /nfs/dbraw/zinc/29/92/29/595299229.db2.gz QYNMZMHITIEUCI-UHFFFAOYSA-N 2 1 341.415 1.264 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000844196118 595299542 /nfs/dbraw/zinc/29/95/42/595299542.db2.gz CLIHYDVMIYLIOT-HKUYNNGSSA-N 2 1 328.460 1.648 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000844196118 595299544 /nfs/dbraw/zinc/29/95/44/595299544.db2.gz CLIHYDVMIYLIOT-HKUYNNGSSA-N 2 1 328.460 1.648 20 0 EDADMP C[N@@H+]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H](Cc2ccccc2)C1 ZINC000846696360 595303508 /nfs/dbraw/zinc/30/35/08/595303508.db2.gz JYCQMZQFARQSEX-HNNXBMFYSA-N 2 1 339.443 1.054 20 0 EDADMP C[N@H+]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H](Cc2ccccc2)C1 ZINC000846696360 595303509 /nfs/dbraw/zinc/30/35/09/595303509.db2.gz JYCQMZQFARQSEX-HNNXBMFYSA-N 2 1 339.443 1.054 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000844301780 595319948 /nfs/dbraw/zinc/31/99/48/595319948.db2.gz YQXWITLYAGFVBK-CVEARBPZSA-N 2 1 325.453 1.402 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccc3nonc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000846843163 595325346 /nfs/dbraw/zinc/32/53/46/595325346.db2.gz ZVFYSTRAINYOHT-KSSFIOAISA-N 2 1 329.448 1.681 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc3nonc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000846843163 595325349 /nfs/dbraw/zinc/32/53/49/595325349.db2.gz ZVFYSTRAINYOHT-KSSFIOAISA-N 2 1 329.448 1.681 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3cc(-c4ccncn4)cn3)C2)CC1 ZINC000848482292 595391443 /nfs/dbraw/zinc/39/14/43/595391443.db2.gz LBZPSTSJOMQPJI-INIZCTEOSA-N 2 1 326.448 1.961 20 0 EDADMP Cn1cncc1CNC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000845201381 595460371 /nfs/dbraw/zinc/46/03/71/595460371.db2.gz KWUZZHFUMYXJMJ-MRXNPFEDSA-N 2 1 327.432 1.488 20 0 EDADMP Cn1cncc1CNC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000845201381 595460374 /nfs/dbraw/zinc/46/03/74/595460374.db2.gz KWUZZHFUMYXJMJ-MRXNPFEDSA-N 2 1 327.432 1.488 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])NCCc2cccs2)CC1 ZINC000849071954 595477837 /nfs/dbraw/zinc/47/78/37/595477837.db2.gz UTXJYMZOBWDSSU-HNNXBMFYSA-N 2 1 337.537 1.678 20 0 EDADMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000849073919 595478435 /nfs/dbraw/zinc/47/84/35/595478435.db2.gz NAPSRHDHQXUOKR-TZMCWYRMSA-N 2 1 334.420 1.503 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc2c(c1)C(=O)NCC2 ZINC000849081843 595479342 /nfs/dbraw/zinc/47/93/42/595479342.db2.gz FDLRZESLKLENRN-HNNXBMFYSA-N 2 1 329.448 1.071 20 0 EDADMP CC(C)(C)OC1CC(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000849104291 595482740 /nfs/dbraw/zinc/48/27/40/595482740.db2.gz NFTKJQLYMHNJDC-UHFFFAOYSA-N 2 1 340.512 1.806 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000849110383 595483348 /nfs/dbraw/zinc/48/33/48/595483348.db2.gz HMLCBFZEMWALSO-OAHLLOKOSA-N 2 1 345.495 1.243 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[NH+](C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849485874 595548020 /nfs/dbraw/zinc/54/80/20/595548020.db2.gz YTIVCGHJJUJGSU-ROUUACIJSA-N 2 1 347.507 1.398 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)N2CCC[N@H+](C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849485874 595548021 /nfs/dbraw/zinc/54/80/21/595548021.db2.gz YTIVCGHJJUJGSU-ROUUACIJSA-N 2 1 347.507 1.398 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849485874 595548023 /nfs/dbraw/zinc/54/80/23/595548023.db2.gz YTIVCGHJJUJGSU-ROUUACIJSA-N 2 1 347.507 1.398 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[C@@H]1C ZINC000849571799 595574692 /nfs/dbraw/zinc/57/46/92/595574692.db2.gz LDINDPLWLBLCDX-ONIAQPFYSA-N 2 1 347.507 1.397 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C[C@@H]1C ZINC000849571799 595574693 /nfs/dbraw/zinc/57/46/93/595574693.db2.gz LDINDPLWLBLCDX-ONIAQPFYSA-N 2 1 347.507 1.397 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C[C@@H]1C ZINC000849571799 595574694 /nfs/dbraw/zinc/57/46/94/595574694.db2.gz LDINDPLWLBLCDX-ONIAQPFYSA-N 2 1 347.507 1.397 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849599425 595587405 /nfs/dbraw/zinc/58/74/05/595587405.db2.gz NJWDNAFMTSDIES-SQNIBIBYSA-N 2 1 347.507 1.398 20 0 EDADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849599425 595587409 /nfs/dbraw/zinc/58/74/09/595587409.db2.gz NJWDNAFMTSDIES-SQNIBIBYSA-N 2 1 347.507 1.398 20 0 EDADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849599425 595587411 /nfs/dbraw/zinc/58/74/11/595587411.db2.gz NJWDNAFMTSDIES-SQNIBIBYSA-N 2 1 347.507 1.398 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(O)CCc2ccccc2C1 ZINC000855347203 595682299 /nfs/dbraw/zinc/68/22/99/595682299.db2.gz XZZFFAKJFILQKY-JXFKEZNVSA-N 2 1 347.503 1.295 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(O)CCc2ccccc2C1 ZINC000855347203 595682302 /nfs/dbraw/zinc/68/23/02/595682302.db2.gz XZZFFAKJFILQKY-JXFKEZNVSA-N 2 1 347.503 1.295 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@@H](C3CCCCC3)C1)C2=O ZINC000853554258 595798712 /nfs/dbraw/zinc/79/87/12/595798712.db2.gz KMWIXYVEVBTYIK-MRXNPFEDSA-N 2 1 348.491 1.862 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851985503 595997103 /nfs/dbraw/zinc/99/71/03/595997103.db2.gz MUACOYCDJNEUBM-LJQANCHMSA-N 2 1 344.459 1.531 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851985503 595997106 /nfs/dbraw/zinc/99/71/06/595997106.db2.gz MUACOYCDJNEUBM-LJQANCHMSA-N 2 1 344.459 1.531 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000861570612 596032185 /nfs/dbraw/zinc/03/21/85/596032185.db2.gz XONRJYFTVPIBIP-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP CC[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000857102391 596158268 /nfs/dbraw/zinc/15/82/68/596158268.db2.gz RNRRSCWNOKQEOB-CGTJXYLNSA-N 2 1 348.491 1.703 20 0 EDADMP CC[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000857102391 596158272 /nfs/dbraw/zinc/15/82/72/596158272.db2.gz RNRRSCWNOKQEOB-CGTJXYLNSA-N 2 1 348.491 1.703 20 0 EDADMP CN(CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C(=O)OC(C)(C)C ZINC000852707354 596230753 /nfs/dbraw/zinc/23/07/53/596230753.db2.gz GQWYTVCPZRMERE-INIZCTEOSA-N 2 1 341.496 1.774 20 0 EDADMP CN(CCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)C(=O)OC(C)(C)C ZINC000852707354 596230755 /nfs/dbraw/zinc/23/07/55/596230755.db2.gz GQWYTVCPZRMERE-INIZCTEOSA-N 2 1 341.496 1.774 20 0 EDADMP CC[N@@H+](CC(=O)N1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1)C1CC1 ZINC000870535375 596274483 /nfs/dbraw/zinc/27/44/83/596274483.db2.gz CWYJBHACUJLSDA-SJORKVTESA-N 2 1 344.459 1.502 20 0 EDADMP CCN(CC(=O)N1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1)C1CC1 ZINC000870535375 596274484 /nfs/dbraw/zinc/27/44/84/596274484.db2.gz CWYJBHACUJLSDA-SJORKVTESA-N 2 1 344.459 1.502 20 0 EDADMP Cc1cccnc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000866667763 596286232 /nfs/dbraw/zinc/28/62/32/596286232.db2.gz XUZCHWPKFWMRCX-HRCADAONSA-N 2 1 332.448 1.547 20 0 EDADMP Cc1cccnc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000866667763 596286233 /nfs/dbraw/zinc/28/62/33/596286233.db2.gz XUZCHWPKFWMRCX-HRCADAONSA-N 2 1 332.448 1.547 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@@H](O)c3ccc(F)cc3)nn2)CC1 ZINC000864629128 596289448 /nfs/dbraw/zinc/28/94/48/596289448.db2.gz DJQPCLFKNGEWFD-QGZVFWFLSA-N 2 1 333.411 1.116 20 0 EDADMP Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)C2=O)cn1 ZINC000866709038 596303396 /nfs/dbraw/zinc/30/33/96/596303396.db2.gz VDGFFCWCUZBHQF-CRAIPNDOSA-N 2 1 333.480 1.612 20 0 EDADMP Cn1cc(N2CCC[C@@H]([N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)C2=O)cn1 ZINC000866709038 596303398 /nfs/dbraw/zinc/30/33/98/596303398.db2.gz VDGFFCWCUZBHQF-CRAIPNDOSA-N 2 1 333.480 1.612 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)CC[C@@H]21 ZINC000868791473 596307062 /nfs/dbraw/zinc/30/70/62/596307062.db2.gz QHWFEJSAOCIUQM-QRVBRYPASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)CC[C@@H]21 ZINC000868791473 596307065 /nfs/dbraw/zinc/30/70/65/596307065.db2.gz QHWFEJSAOCIUQM-QRVBRYPASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)CC[C@@H]21 ZINC000868791473 596307068 /nfs/dbraw/zinc/30/70/68/596307068.db2.gz QHWFEJSAOCIUQM-QRVBRYPASA-N 2 1 342.487 1.997 20 0 EDADMP O=C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000866723515 596310560 /nfs/dbraw/zinc/31/05/60/596310560.db2.gz FCYNXTYDTYHWHZ-OALUTQOASA-N 2 1 342.487 1.157 20 0 EDADMP [NH3+][C@H]1C[C@H](CNC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000870972679 596422847 /nfs/dbraw/zinc/42/28/47/596422847.db2.gz PRCCAPMYROXKJK-LJGSYFOKSA-N 2 1 330.251 1.581 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC000869236918 596456341 /nfs/dbraw/zinc/45/63/41/596456341.db2.gz MDGALRFLZZYWQX-ZFWWWQNUSA-N 2 1 337.468 1.263 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC000869236918 596456344 /nfs/dbraw/zinc/45/63/44/596456344.db2.gz MDGALRFLZZYWQX-ZFWWWQNUSA-N 2 1 337.468 1.263 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC000865090034 596470620 /nfs/dbraw/zinc/47/06/20/596470620.db2.gz VSUGOBKOSQRAML-WMZOPIPTSA-N 2 1 349.523 1.702 20 0 EDADMP C[C@H](CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[N@@H+](C)C1CC1 ZINC000865143356 596489683 /nfs/dbraw/zinc/48/96/83/596489683.db2.gz VYMMMONVEKBRTL-OCCSQVGLSA-N 2 1 342.484 1.040 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000871282782 596522144 /nfs/dbraw/zinc/52/21/44/596522144.db2.gz FDFZNIMOSYSWAC-IBGZPJMESA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000871282782 596522147 /nfs/dbraw/zinc/52/21/47/596522147.db2.gz FDFZNIMOSYSWAC-IBGZPJMESA-N 2 1 345.487 1.654 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000869780489 596632515 /nfs/dbraw/zinc/63/25/15/596632515.db2.gz VZIGLOCARVLOEQ-CVEARBPZSA-N 2 1 337.508 1.602 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000869780489 596632519 /nfs/dbraw/zinc/63/25/19/596632519.db2.gz VZIGLOCARVLOEQ-CVEARBPZSA-N 2 1 337.508 1.602 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000869780489 596632521 /nfs/dbraw/zinc/63/25/21/596632521.db2.gz VZIGLOCARVLOEQ-CVEARBPZSA-N 2 1 337.508 1.602 20 0 EDADMP C[C@@H]1C[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000871599474 596648894 /nfs/dbraw/zinc/64/88/94/596648894.db2.gz QQVCBNRZSBWTDS-PBHICJAKSA-N 2 1 329.444 1.685 20 0 EDADMP C[C@@H]1C[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000871599474 596648896 /nfs/dbraw/zinc/64/88/96/596648896.db2.gz QQVCBNRZSBWTDS-PBHICJAKSA-N 2 1 329.444 1.685 20 0 EDADMP C[C@@H](c1ccc(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000868121428 596693453 /nfs/dbraw/zinc/69/34/53/596693453.db2.gz HIOLUSVABSACQZ-DZKIICNBSA-N 2 1 332.448 1.939 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868181208 596713791 /nfs/dbraw/zinc/71/37/91/596713791.db2.gz FOJYTEWXWVHDDD-FHLIZLRMSA-N 2 1 345.491 1.649 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000868185967 596715498 /nfs/dbraw/zinc/71/54/98/596715498.db2.gz DSNCFENYAFVQSC-WCXIOVBPSA-N 2 1 330.432 1.486 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nccc(-c2ccnn2C)n1 ZINC000865934135 596727986 /nfs/dbraw/zinc/72/79/86/596727986.db2.gz QZHPJYGBOBARBW-AWEZNQCLSA-N 2 1 331.468 1.561 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nccc(-c2ccnn2C)n1 ZINC000865934135 596727989 /nfs/dbraw/zinc/72/79/89/596727989.db2.gz QZHPJYGBOBARBW-AWEZNQCLSA-N 2 1 331.468 1.561 20 0 EDADMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(CO)c(Br)n1 ZINC000865937971 596730018 /nfs/dbraw/zinc/73/00/18/596730018.db2.gz ALKOZQHGDUNNPN-UHFFFAOYSA-N 2 1 345.285 1.632 20 0 EDADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(CO)c(Br)n1 ZINC000865937971 596730020 /nfs/dbraw/zinc/73/00/20/596730020.db2.gz ALKOZQHGDUNNPN-UHFFFAOYSA-N 2 1 345.285 1.632 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868243610 596743051 /nfs/dbraw/zinc/74/30/51/596743051.db2.gz LXYFCSLRWARLOB-YESZJQIVSA-N 2 1 344.459 1.381 20 0 EDADMP C[NH+]1CCN([C@H](C[NH2+]C[C@H](O)CC(C)(C)O)c2cccs2)CC1 ZINC000871966998 596763262 /nfs/dbraw/zinc/76/32/62/596763262.db2.gz XFVIQBPZVZOECV-HUUCEWRRSA-N 2 1 341.521 1.148 20 0 EDADMP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872034843 596798558 /nfs/dbraw/zinc/79/85/58/596798558.db2.gz LKDORDYJVWZLKM-MSOLQXFVSA-N 2 1 337.508 1.474 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1C ZINC000872141782 596808128 /nfs/dbraw/zinc/80/81/28/596808128.db2.gz SVDBMRGWAUMDJV-OAHLLOKOSA-N 2 1 333.432 1.069 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1)[C@H]1CCC[NH2+]1 ZINC000872144130 596809375 /nfs/dbraw/zinc/80/93/75/596809375.db2.gz VJTHUAVBARTEMG-GVDBMIGSSA-N 2 1 335.492 1.526 20 0 EDADMP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)CCCCCC[NH3+] ZINC000872154988 596816207 /nfs/dbraw/zinc/81/62/07/596816207.db2.gz ILIVYDPPDHPOIC-JTQLQIEISA-N 2 1 326.363 1.214 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866262748 596841137 /nfs/dbraw/zinc/84/11/37/596841137.db2.gz FUGQGLRCFBAOJH-HKUYNNGSSA-N 2 1 337.508 1.866 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000872256870 596857660 /nfs/dbraw/zinc/85/76/60/596857660.db2.gz DKHSLBJDWSENKG-KFWWJZLASA-N 2 1 339.798 1.846 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000872256870 596857661 /nfs/dbraw/zinc/85/76/61/596857661.db2.gz DKHSLBJDWSENKG-KFWWJZLASA-N 2 1 339.798 1.846 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000872310719 596877171 /nfs/dbraw/zinc/87/71/71/596877171.db2.gz KSQLOVPTSQAHPX-LXZJYRNTSA-N 2 1 343.471 1.439 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000872310719 596877173 /nfs/dbraw/zinc/87/71/73/596877173.db2.gz KSQLOVPTSQAHPX-LXZJYRNTSA-N 2 1 343.471 1.439 20 0 EDADMP CC[C@H]1COCCN1CCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000875662551 596937837 /nfs/dbraw/zinc/93/78/37/596937837.db2.gz LRTXUOHQWNGJHG-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000875714934 596957951 /nfs/dbraw/zinc/95/79/51/596957951.db2.gz YDFZNKHESXSLRD-INIZCTEOSA-N 2 1 341.544 1.384 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000875714934 596957955 /nfs/dbraw/zinc/95/79/55/596957955.db2.gz YDFZNKHESXSLRD-INIZCTEOSA-N 3 1 341.544 1.384 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000875714934 596957956 /nfs/dbraw/zinc/95/79/56/596957956.db2.gz YDFZNKHESXSLRD-INIZCTEOSA-N 3 1 341.544 1.384 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000875714934 596957958 /nfs/dbraw/zinc/95/79/58/596957958.db2.gz YDFZNKHESXSLRD-INIZCTEOSA-N 3 1 341.544 1.384 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000875714934 596957960 /nfs/dbraw/zinc/95/79/60/596957960.db2.gz YDFZNKHESXSLRD-INIZCTEOSA-N 3 1 341.544 1.384 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000875872988 597019792 /nfs/dbraw/zinc/01/97/92/597019792.db2.gz LGBXZMAWCPKNOT-HOCLYGCPSA-N 2 1 338.496 1.148 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000875872988 597019795 /nfs/dbraw/zinc/01/97/95/597019795.db2.gz LGBXZMAWCPKNOT-HOCLYGCPSA-N 2 1 338.496 1.148 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000875872988 597019798 /nfs/dbraw/zinc/01/97/98/597019798.db2.gz LGBXZMAWCPKNOT-HOCLYGCPSA-N 2 1 338.496 1.148 20 0 EDADMP CC[C@@H]1COCCN1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000874702874 597146730 /nfs/dbraw/zinc/14/67/30/597146730.db2.gz OYLITUQCEUYPJQ-MSOLQXFVSA-N 2 1 346.475 1.273 20 0 EDADMP CC[C@@H]1COCCN1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000874702874 597146731 /nfs/dbraw/zinc/14/67/31/597146731.db2.gz OYLITUQCEUYPJQ-MSOLQXFVSA-N 2 1 346.475 1.273 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccccc1 ZINC000874988880 597232888 /nfs/dbraw/zinc/23/28/88/597232888.db2.gz GXSUJMWVEZFOPB-DLBZAZTESA-N 2 1 348.491 1.434 20 0 EDADMP CC[C@@H]1COCCN1CCNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000875142834 597300729 /nfs/dbraw/zinc/30/07/29/597300729.db2.gz FQXUIWLHMMEGAY-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP COC[C@]1(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)C[NH2+]CCO1 ZINC000876737781 597315186 /nfs/dbraw/zinc/31/51/86/597315186.db2.gz UTLQRLKTLZANCN-IBGZPJMESA-N 2 1 349.475 1.148 20 0 EDADMP C[C@H](NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)C1([NH+]2CCOCC2)CCCC1 ZINC000876773522 597334045 /nfs/dbraw/zinc/33/40/45/597334045.db2.gz TYTIHEZOZQTCJC-ZNMIVQPWSA-N 2 1 327.444 1.084 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000876776518 597336423 /nfs/dbraw/zinc/33/64/23/597336423.db2.gz PHRNRLAYNBIPFN-BBRMVZONSA-N 2 1 335.427 1.126 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000876782366 597338427 /nfs/dbraw/zinc/33/84/27/597338427.db2.gz WDDWYYLSFKYLBU-DLBZAZTESA-N 2 1 330.476 1.298 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876781367 597339061 /nfs/dbraw/zinc/33/90/61/597339061.db2.gz GTTTYZWIASCAHA-XVWMLYKFSA-N 3 1 329.448 1.328 20 0 EDADMP C[NH+](C)C[C@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000876897734 597376036 /nfs/dbraw/zinc/37/60/36/597376036.db2.gz VNKSWYWOJWLVKP-SFHVURJKSA-N 2 1 344.503 1.390 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000876899943 597377277 /nfs/dbraw/zinc/37/72/77/597377277.db2.gz BKBLDYQGADBNMV-ZACQAIPSSA-N 2 1 345.491 1.672 20 0 EDADMP O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000876932247 597389419 /nfs/dbraw/zinc/38/94/19/597389419.db2.gz HZJDTXFFVGVHKO-FJIDUMEYSA-N 2 1 331.435 1.667 20 0 EDADMP C[N@@H+]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000876947942 597393429 /nfs/dbraw/zinc/39/34/29/597393429.db2.gz HCIYJQZRPLJCIS-APFRWWSVSA-N 2 1 327.472 1.928 20 0 EDADMP C[N@H+]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000876947942 597393431 /nfs/dbraw/zinc/39/34/31/597393431.db2.gz HCIYJQZRPLJCIS-APFRWWSVSA-N 2 1 327.472 1.928 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000875371544 597404339 /nfs/dbraw/zinc/40/43/39/597404339.db2.gz QPLHIQCZSCEWAF-WBVHZDCISA-N 2 1 334.508 1.987 20 0 EDADMP CCOC(=O)N1CCC(C)(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000877022423 597413902 /nfs/dbraw/zinc/41/39/02/597413902.db2.gz NFPYEBHLYJIFKE-HOTGVXAUSA-N 2 1 339.480 1.698 20 0 EDADMP CCOC(=O)N1CCC(C)(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000877022423 597413906 /nfs/dbraw/zinc/41/39/06/597413906.db2.gz NFPYEBHLYJIFKE-HOTGVXAUSA-N 2 1 339.480 1.698 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3[nH]nc4c3C[NH2+]CC4)C2)cc1 ZINC000877222380 597465983 /nfs/dbraw/zinc/46/59/83/597465983.db2.gz ZSFBGYJGLXZBMJ-HNNXBMFYSA-N 2 1 339.443 1.368 20 0 EDADMP C[NH+]1CCN(C2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)CC1 ZINC000877746026 597552550 /nfs/dbraw/zinc/55/25/50/597552550.db2.gz FPPYHGDXUUHKSY-UHFFFAOYSA-N 2 1 329.448 1.882 20 0 EDADMP C[NH+]1CCN(C2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)CC1 ZINC000877747350 597552989 /nfs/dbraw/zinc/55/29/89/597552989.db2.gz HOOGSXTVZUNRFB-UHFFFAOYSA-N 2 1 340.475 1.684 20 0 EDADMP c1nnnn1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000878197535 597586081 /nfs/dbraw/zinc/58/60/81/597586081.db2.gz NZZDSQOXERLSGQ-QZTJIDSGSA-N 2 1 326.448 1.660 20 0 EDADMP c1nnnn1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000878197535 597586082 /nfs/dbraw/zinc/58/60/82/597586082.db2.gz NZZDSQOXERLSGQ-QZTJIDSGSA-N 2 1 326.448 1.660 20 0 EDADMP c1nnnn1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000878197535 597586083 /nfs/dbraw/zinc/58/60/83/597586083.db2.gz NZZDSQOXERLSGQ-QZTJIDSGSA-N 2 1 326.448 1.660 20 0 EDADMP c1nnnn1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000878197535 597586084 /nfs/dbraw/zinc/58/60/84/597586084.db2.gz NZZDSQOXERLSGQ-QZTJIDSGSA-N 2 1 326.448 1.660 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)C[C@H](O)c1ccccc1 ZINC000878317638 597594892 /nfs/dbraw/zinc/59/48/92/597594892.db2.gz SHVOXKMVTXREJN-MOPGFXCFSA-N 2 1 335.492 1.040 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000878317639 597594974 /nfs/dbraw/zinc/59/49/74/597594974.db2.gz SHVOXKMVTXREJN-OALUTQOASA-N 2 1 335.492 1.040 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000878338605 597596658 /nfs/dbraw/zinc/59/66/58/597596658.db2.gz ZELGMKCXWUIVIM-OAHLLOKOSA-N 2 1 332.435 1.971 20 0 EDADMP CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000878393815 597599563 /nfs/dbraw/zinc/59/95/63/597599563.db2.gz YHAABIBLYPWAFU-GOSISDBHSA-N 2 1 346.475 1.777 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000878393815 597599564 /nfs/dbraw/zinc/59/95/64/597599564.db2.gz YHAABIBLYPWAFU-GOSISDBHSA-N 2 1 346.475 1.777 20 0 EDADMP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878543411 597629034 /nfs/dbraw/zinc/62/90/34/597629034.db2.gz AVGZUQXTVSWMKG-INIZCTEOSA-N 2 1 347.459 1.940 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879579058 597641000 /nfs/dbraw/zinc/64/10/00/597641000.db2.gz IZCSHVVGGRPPOY-JKIFEVAISA-N 2 1 327.469 1.288 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879579058 597641002 /nfs/dbraw/zinc/64/10/02/597641002.db2.gz IZCSHVVGGRPPOY-JKIFEVAISA-N 2 1 327.469 1.288 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879579058 597641003 /nfs/dbraw/zinc/64/10/03/597641003.db2.gz IZCSHVVGGRPPOY-JKIFEVAISA-N 2 1 327.469 1.288 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879579058 597641005 /nfs/dbraw/zinc/64/10/05/597641005.db2.gz IZCSHVVGGRPPOY-JKIFEVAISA-N 2 1 327.469 1.288 20 0 EDADMP Cn1nnnc1CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000878605019 597652334 /nfs/dbraw/zinc/65/23/34/597652334.db2.gz CSYLOMVXZAKPBU-GOSISDBHSA-N 2 1 326.448 1.351 20 0 EDADMP Cn1nnnc1CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000878605019 597652336 /nfs/dbraw/zinc/65/23/36/597652336.db2.gz CSYLOMVXZAKPBU-GOSISDBHSA-N 2 1 326.448 1.351 20 0 EDADMP Cn1nnnc1CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000878605019 597652338 /nfs/dbraw/zinc/65/23/38/597652338.db2.gz CSYLOMVXZAKPBU-GOSISDBHSA-N 2 1 326.448 1.351 20 0 EDADMP Cn1nnnc1CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000878605019 597652341 /nfs/dbraw/zinc/65/23/41/597652341.db2.gz CSYLOMVXZAKPBU-GOSISDBHSA-N 2 1 326.448 1.351 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCN1c1cc[nH+]cc1 ZINC000883149373 597667971 /nfs/dbraw/zinc/66/79/71/597667971.db2.gz YHWQHIWBUYPOCB-NXHRZFHOSA-N 2 1 343.475 1.929 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883401753 597732071 /nfs/dbraw/zinc/73/20/71/597732071.db2.gz XGVHJILEGFNOOY-UHFFFAOYSA-N 2 1 340.512 1.661 20 0 EDADMP C[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000883415007 597738577 /nfs/dbraw/zinc/73/85/77/597738577.db2.gz LLCZNCCUSCDYKO-INIZCTEOSA-N 2 1 338.496 1.365 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883416737 597738976 /nfs/dbraw/zinc/73/89/76/597738976.db2.gz CRXGAGAEBGPJDZ-FGTMMUONSA-N 2 1 331.460 1.694 20 0 EDADMP Cn1ccc(-c2nc(C[NH+]3CCC(OCCC[NH3+])CC3)cs2)n1 ZINC000883418414 597739926 /nfs/dbraw/zinc/73/99/26/597739926.db2.gz HLLGCCKIQRYOHO-UHFFFAOYSA-N 2 1 335.477 1.873 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000883439547 597747503 /nfs/dbraw/zinc/74/75/03/597747503.db2.gz UPXYTYPOOBBJGG-LVQVYYBASA-N 2 1 335.448 1.345 20 0 EDADMP COCC[N@@H+](C[C@@H](O)COc1ccccc1)CC1CC[NH+](C)CC1 ZINC000879121595 597825689 /nfs/dbraw/zinc/82/56/89/597825689.db2.gz CZLTUDZCVIXHJL-GOSISDBHSA-N 2 1 336.476 1.717 20 0 EDADMP COCC[N@@H+](C[C@H](O)CC1(O)CCCC1)CC1CC[NH+](C)CC1 ZINC000879125527 597827140 /nfs/dbraw/zinc/82/71/40/597827140.db2.gz DGNGZNIVFJDDNV-QGZVFWFLSA-N 2 1 328.497 1.333 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000879215679 597852397 /nfs/dbraw/zinc/85/23/97/597852397.db2.gz WQHJPSNKRCSNEI-OAGGEKHMSA-N 2 1 343.512 1.780 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000879215679 597852399 /nfs/dbraw/zinc/85/23/99/597852399.db2.gz WQHJPSNKRCSNEI-OAGGEKHMSA-N 2 1 343.512 1.780 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000879215679 597852401 /nfs/dbraw/zinc/85/24/01/597852401.db2.gz WQHJPSNKRCSNEI-OAGGEKHMSA-N 2 1 343.512 1.780 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000879215679 597852402 /nfs/dbraw/zinc/85/24/02/597852402.db2.gz WQHJPSNKRCSNEI-OAGGEKHMSA-N 2 1 343.512 1.780 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC000879239841 597862130 /nfs/dbraw/zinc/86/21/30/597862130.db2.gz HTMYBGKFSXPXOO-AZUAARDMSA-N 2 1 345.487 1.785 20 0 EDADMP Cc1cccc(C(=O)NC2CCN(C[C@H](O)C[N@H+](C)C(C)C)CC2)c1 ZINC000879350553 597895648 /nfs/dbraw/zinc/89/56/48/597895648.db2.gz KPMGXMLUGXGNKJ-LJQANCHMSA-N 2 1 347.503 1.890 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000883901177 597937452 /nfs/dbraw/zinc/93/74/52/597937452.db2.gz YYHBGEVYPKDERH-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H](C3CCOCC3)C2)CC1 ZINC000880578853 597969390 /nfs/dbraw/zinc/96/93/90/597969390.db2.gz SBJCYALTIVMEPH-SFHVURJKSA-N 2 1 337.508 1.679 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H](C3CCOCC3)C2)CC1 ZINC000880578853 597969392 /nfs/dbraw/zinc/96/93/92/597969392.db2.gz SBJCYALTIVMEPH-SFHVURJKSA-N 2 1 337.508 1.679 20 0 EDADMP CN(C(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884213306 598031883 /nfs/dbraw/zinc/03/18/83/598031883.db2.gz YIWBZMQIFLOMJH-NVXWUHKLSA-N 2 1 326.444 1.733 20 0 EDADMP C[NH2+]CCOc1ccccc1C(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000884306356 598060987 /nfs/dbraw/zinc/06/09/87/598060987.db2.gz BYSTWWZPCOUOBF-UHFFFAOYSA-N 2 1 335.448 1.079 20 0 EDADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000884400955 598094083 /nfs/dbraw/zinc/09/40/83/598094083.db2.gz ACRCDHLIFKPSKG-ROUUACIJSA-N 2 1 347.503 1.879 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000914076090 695071555 /nfs/dbraw/zinc/07/15/55/695071555.db2.gz PPDHGIOQXXGSFN-DOTOQJQBSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000914076090 695071558 /nfs/dbraw/zinc/07/15/58/695071558.db2.gz PPDHGIOQXXGSFN-DOTOQJQBSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000914076090 695071560 /nfs/dbraw/zinc/07/15/60/695071560.db2.gz PPDHGIOQXXGSFN-DOTOQJQBSA-N 2 1 338.496 1.413 20 0 EDADMP CCc1ccc(CN2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)CC2)cc1 ZINC000915046847 695722036 /nfs/dbraw/zinc/72/20/36/695722036.db2.gz TVVDYRWYUOKDBE-OALUTQOASA-N 2 1 345.487 1.612 20 0 EDADMP CCc1ccc(CN2CCN(C(=O)[C@@H]3C[C@H](OC)CN3C)CC2)cc1 ZINC000915046847 695722038 /nfs/dbraw/zinc/72/20/38/695722038.db2.gz TVVDYRWYUOKDBE-OALUTQOASA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CCC[N@H+]1CCCO ZINC000993619187 696262265 /nfs/dbraw/zinc/26/22/65/696262265.db2.gz FSOPYIJTXXLTBI-APWZRJJASA-N 2 1 347.503 1.756 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCN(Cc2ccnn2C)[C@@H]1C ZINC000993626543 696290206 /nfs/dbraw/zinc/29/02/06/696290206.db2.gz VMGOUXVFITVKOB-GDBMZVCRSA-N 2 1 330.436 1.094 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCOc3ccc(F)cc3)C2)C1 ZINC001015705423 696593607 /nfs/dbraw/zinc/59/36/07/696593607.db2.gz LDPFCIMZHPNTNC-RDJZCZTQSA-N 2 1 349.450 1.737 20 0 EDADMP Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)o1 ZINC000994253163 696654017 /nfs/dbraw/zinc/65/40/17/696654017.db2.gz NATNUEUVPPAEBH-CZUORRHYSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)o1 ZINC000994253163 696654019 /nfs/dbraw/zinc/65/40/19/696654019.db2.gz NATNUEUVPPAEBH-CZUORRHYSA-N 2 1 332.448 1.548 20 0 EDADMP COc1cncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000940008301 700109867 /nfs/dbraw/zinc/10/98/67/700109867.db2.gz IARBUFNBHLIMIN-OAHLLOKOSA-N 2 1 347.463 1.050 20 0 EDADMP COc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000940008627 700110309 /nfs/dbraw/zinc/11/03/09/700110309.db2.gz WELNMPQPZAIASE-KRWDZBQOSA-N 2 1 346.475 1.655 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000919126463 697246460 /nfs/dbraw/zinc/24/64/60/697246460.db2.gz INCGAYILLGJCGX-DLBZAZTESA-N 2 1 349.479 1.094 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000919126463 697246462 /nfs/dbraw/zinc/24/64/62/697246462.db2.gz INCGAYILLGJCGX-DLBZAZTESA-N 2 1 349.479 1.094 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001031584372 697279754 /nfs/dbraw/zinc/27/97/54/697279754.db2.gz CFKBNTJSRVMDOM-DLBZAZTESA-N 2 1 335.423 1.001 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=S)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000920308356 697419254 /nfs/dbraw/zinc/41/92/54/697419254.db2.gz DZFHJYRUPKBXDG-OKILXGFUSA-N 2 1 328.526 1.044 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000920505529 697440532 /nfs/dbraw/zinc/44/05/32/697440532.db2.gz AUWOXDPJKSXOBR-KRWDZBQOSA-N 2 1 338.496 1.413 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)CC[N@H+]1C ZINC001031686398 697516769 /nfs/dbraw/zinc/51/67/69/697516769.db2.gz MMUSVEUVQZICPN-YESZJQIVSA-N 2 1 337.508 1.580 20 0 EDADMP CCO[C@H](CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)C[NH+](C)C ZINC000921426736 697603364 /nfs/dbraw/zinc/60/33/64/697603364.db2.gz JSFJOTCLSCHAPJ-HZPDHXFCSA-N 2 1 328.501 1.230 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031728929 698074575 /nfs/dbraw/zinc/07/45/75/698074575.db2.gz DCVZOXNSLZBFGK-MRXNPFEDSA-N 2 1 348.491 1.763 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031728929 698074578 /nfs/dbraw/zinc/07/45/78/698074578.db2.gz DCVZOXNSLZBFGK-MRXNPFEDSA-N 2 1 348.491 1.763 20 0 EDADMP CC[C@H](C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1)OC ZINC001031730674 698086792 /nfs/dbraw/zinc/08/67/92/698086792.db2.gz VATXOZAXYOXVSU-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP O=C(NCC1C[NH+](CCC[C@H]2CCOC2)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001031744930 698350161 /nfs/dbraw/zinc/35/01/61/698350161.db2.gz XHEKULVKMOAZLE-NUEKZKHPSA-N 2 1 332.448 1.378 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3cccnc3)CC2)CC[N@H+]1C ZINC000940119733 700253361 /nfs/dbraw/zinc/25/33/61/700253361.db2.gz IEKSJMXFBYXOPR-NVXWUHKLSA-N 2 1 330.476 1.893 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000069001918 699024656 /nfs/dbraw/zinc/02/46/56/699024656.db2.gz WVEGZJUCSHVUQQ-UHFFFAOYSA-N 2 1 334.464 1.543 20 0 EDADMP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000939745239 699910644 /nfs/dbraw/zinc/91/06/44/699910644.db2.gz BGYYAMWUHDWPPU-FZMZJTMJSA-N 2 1 333.461 1.593 20 0 EDADMP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000939746476 699911941 /nfs/dbraw/zinc/91/19/41/699911941.db2.gz HEESJELBGUSYNP-SJCJKPOMSA-N 2 1 345.447 1.687 20 0 EDADMP CCC(CC)C[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000941669258 701623354 /nfs/dbraw/zinc/62/33/54/701623354.db2.gz XCLVXYFGYYBKQS-UHFFFAOYSA-N 2 1 347.507 1.456 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC000940329742 700509663 /nfs/dbraw/zinc/50/96/63/700509663.db2.gz YGVAFIXJBDPMHW-OAHLLOKOSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)n1 ZINC000940471952 700657295 /nfs/dbraw/zinc/65/72/95/700657295.db2.gz CVWFUOVJJIFILU-ZIAGYGMSSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC000940461484 700664651 /nfs/dbraw/zinc/66/46/51/700664651.db2.gz CSNONPYDTYLAEJ-WBVHZDCISA-N 2 1 348.491 1.977 20 0 EDADMP CCc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000940461831 700665207 /nfs/dbraw/zinc/66/52/07/700665207.db2.gz NCKSFYPRRANKGW-OAHLLOKOSA-N 2 1 348.491 1.968 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccnc2)CC1(C)C ZINC000940621758 700783306 /nfs/dbraw/zinc/78/33/06/700783306.db2.gz VIDMSVYLZKMPGJ-SJORKVTESA-N 2 1 330.476 1.893 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccnc2)CC1(C)C ZINC000940621758 700783308 /nfs/dbraw/zinc/78/33/08/700783308.db2.gz VIDMSVYLZKMPGJ-SJORKVTESA-N 2 1 330.476 1.893 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)CC1(C)C ZINC000940621758 700783309 /nfs/dbraw/zinc/78/33/09/700783309.db2.gz VIDMSVYLZKMPGJ-SJORKVTESA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000940800917 700906391 /nfs/dbraw/zinc/90/63/91/700906391.db2.gz KCTVYZSWDLIMTQ-DLBZAZTESA-N 2 1 339.524 1.848 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940800917 700906393 /nfs/dbraw/zinc/90/63/93/700906393.db2.gz KCTVYZSWDLIMTQ-DLBZAZTESA-N 2 1 339.524 1.848 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940800917 700906395 /nfs/dbraw/zinc/90/63/95/700906395.db2.gz KCTVYZSWDLIMTQ-DLBZAZTESA-N 2 1 339.524 1.848 20 0 EDADMP Cc1c(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)O)CC2(C)C)ccc2c[nH+]cn21 ZINC000940852800 700952793 /nfs/dbraw/zinc/95/27/93/700952793.db2.gz FJNGIJFURHMWMI-DYVFJYSZSA-N 2 1 344.459 1.854 20 0 EDADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896116 700972900 /nfs/dbraw/zinc/97/29/00/700972900.db2.gz TXOSFSWMLBHXMO-WFASDCNBSA-N 2 1 343.431 1.038 20 0 EDADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896116 700972901 /nfs/dbraw/zinc/97/29/01/700972901.db2.gz TXOSFSWMLBHXMO-WFASDCNBSA-N 2 1 343.431 1.038 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCCF)CC2(C)C)C1 ZINC000940971821 701014221 /nfs/dbraw/zinc/01/42/21/701014221.db2.gz DBWHBWMFEPFFJQ-JKSUJKDBSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCCF)CC2(C)C)C1 ZINC000940971821 701014222 /nfs/dbraw/zinc/01/42/22/701014222.db2.gz DBWHBWMFEPFFJQ-JKSUJKDBSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCCF)CC2(C)C)C1 ZINC000940971821 701014223 /nfs/dbraw/zinc/01/42/23/701014223.db2.gz DBWHBWMFEPFFJQ-JKSUJKDBSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCF)CC2(C)C)C1 ZINC000940971821 701014224 /nfs/dbraw/zinc/01/42/24/701014224.db2.gz DBWHBWMFEPFFJQ-JKSUJKDBSA-N 2 1 343.487 1.672 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CCn2cccn2)CC1(C)C ZINC000941032993 701075108 /nfs/dbraw/zinc/07/51/08/701075108.db2.gz KWQSTMFHCOBTAH-SJORKVTESA-N 2 1 347.507 1.584 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CCn2cccn2)CC1(C)C ZINC000941032993 701075112 /nfs/dbraw/zinc/07/51/12/701075112.db2.gz KWQSTMFHCOBTAH-SJORKVTESA-N 2 1 347.507 1.584 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)CC1(C)C ZINC000941032993 701075114 /nfs/dbraw/zinc/07/51/14/701075114.db2.gz KWQSTMFHCOBTAH-SJORKVTESA-N 2 1 347.507 1.584 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCCC3CCC3)C2)C1 ZINC001031922962 701093964 /nfs/dbraw/zinc/09/39/64/701093964.db2.gz QFZUSZMONMWNST-SFHVURJKSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1C[NH+](CC[C@@H]3CCCO3)C1)CC2 ZINC001031932167 701383498 /nfs/dbraw/zinc/38/34/98/701383498.db2.gz WIZIUKWZYGOEPQ-AEFFLSMTSA-N 2 1 346.475 1.371 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217275 701403376 /nfs/dbraw/zinc/40/33/76/701403376.db2.gz LNVBQYZSIOMSBW-WMLDXEAASA-N 2 1 348.491 1.905 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941217275 701403377 /nfs/dbraw/zinc/40/33/77/701403377.db2.gz LNVBQYZSIOMSBW-WMLDXEAASA-N 2 1 348.491 1.905 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217275 701403378 /nfs/dbraw/zinc/40/33/78/701403378.db2.gz LNVBQYZSIOMSBW-WMLDXEAASA-N 2 1 348.491 1.905 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccns3)CC2(C)C)C1 ZINC000941217609 701403593 /nfs/dbraw/zinc/40/35/93/701403593.db2.gz QPELUQSEDQVTSC-DZGCQCFKSA-N 2 1 336.505 1.812 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccns3)CC2(C)C)C1 ZINC000941217609 701403595 /nfs/dbraw/zinc/40/35/95/701403595.db2.gz QPELUQSEDQVTSC-DZGCQCFKSA-N 2 1 336.505 1.812 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccns3)CC2(C)C)C1 ZINC000941217609 701403596 /nfs/dbraw/zinc/40/35/96/701403596.db2.gz QPELUQSEDQVTSC-DZGCQCFKSA-N 2 1 336.505 1.812 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccns3)CC2(C)C)C1 ZINC000941217609 701403598 /nfs/dbraw/zinc/40/35/98/701403598.db2.gz QPELUQSEDQVTSC-DZGCQCFKSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941220480 701410654 /nfs/dbraw/zinc/41/06/54/701410654.db2.gz DYUQSMWFYXNATO-RDJZCZTQSA-N 2 1 345.491 1.850 20 0 EDADMP CC1(C)C[N@@H+](CC[C@H]2CCCO2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221231 701411719 /nfs/dbraw/zinc/41/17/19/701411719.db2.gz NWRBTQHSZLYAQG-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCOC)CC1(C)C ZINC000941238670 701429053 /nfs/dbraw/zinc/42/90/53/701429053.db2.gz ZMRWNJGENRSEPS-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCOC)CC1(C)C ZINC000941238670 701429055 /nfs/dbraw/zinc/42/90/55/701429055.db2.gz ZMRWNJGENRSEPS-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCOC)CC1(C)C ZINC000941238670 701429056 /nfs/dbraw/zinc/42/90/56/701429056.db2.gz ZMRWNJGENRSEPS-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941437252 701540379 /nfs/dbraw/zinc/54/03/79/701540379.db2.gz XOOKFIJKMHIQAO-KRWDZBQOSA-N 2 1 345.491 1.245 20 0 EDADMP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)ccc1C ZINC001031976263 701952088 /nfs/dbraw/zinc/95/20/88/701952088.db2.gz IAUFTIOMKOPZOX-MAUKXSAKSA-N 2 1 345.487 1.749 20 0 EDADMP Cc1ncsc1CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976974 702006341 /nfs/dbraw/zinc/00/63/41/702006341.db2.gz UQXCYGQDRZLMNC-DOMZBBRYSA-N 2 1 336.505 1.240 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001032205600 702072849 /nfs/dbraw/zinc/07/28/49/702072849.db2.gz CMMUYPVBYCTVIV-SFHVURJKSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001032205600 702072856 /nfs/dbraw/zinc/07/28/56/702072856.db2.gz CMMUYPVBYCTVIV-SFHVURJKSA-N 2 1 348.491 1.968 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001031978297 702077955 /nfs/dbraw/zinc/07/79/55/702077955.db2.gz RSGYYSUGCQJULZ-BEFAXECRSA-N 2 1 344.503 1.498 20 0 EDADMP Cc1ccnc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)n1 ZINC000995823389 702092813 /nfs/dbraw/zinc/09/28/13/702092813.db2.gz FZYWQCGXVRQCJB-OAGGEKHMSA-N 2 1 345.491 1.452 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)n1 ZINC000995823389 702092822 /nfs/dbraw/zinc/09/28/22/702092822.db2.gz FZYWQCGXVRQCJB-OAGGEKHMSA-N 2 1 345.491 1.452 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)n1 ZINC000995823389 702092830 /nfs/dbraw/zinc/09/28/30/702092830.db2.gz FZYWQCGXVRQCJB-OAGGEKHMSA-N 2 1 345.491 1.452 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001032205857 702108012 /nfs/dbraw/zinc/10/80/12/702108012.db2.gz KOCQSOMRJFDNGT-ZWKOTPCHSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1C[NH+](CC[C@H]3CCCO3)C1)C2 ZINC001031978833 702109404 /nfs/dbraw/zinc/10/94/04/702109404.db2.gz WZLRXZSJSABZMU-SJLPKXTDSA-N 2 1 346.475 1.371 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cncs3)C(C)(C)C2)CC[N@H+]1C ZINC000995836131 702114088 /nfs/dbraw/zinc/11/40/88/702114088.db2.gz ZRRIVQWSKUPUNA-BPLDGKMQSA-N 2 1 336.505 1.810 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995916747 702278232 /nfs/dbraw/zinc/27/82/32/702278232.db2.gz JWCMJWDGSWLWHJ-KRWDZBQOSA-N 2 1 347.507 1.539 20 0 EDADMP C[C@H]1C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942057919 702507819 /nfs/dbraw/zinc/50/78/19/702507819.db2.gz QUOQJBGNYSXURS-HOCLYGCPSA-N 2 1 333.480 1.295 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC000995209144 702679197 /nfs/dbraw/zinc/67/91/97/702679197.db2.gz ILWCVBMVKVEGQP-HOTGVXAUSA-N 2 1 342.447 1.365 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996299809 702690666 /nfs/dbraw/zinc/69/06/66/702690666.db2.gz DOJPSUCEEFVNHX-BBRMVZONSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC000996300204 702691723 /nfs/dbraw/zinc/69/17/23/702691723.db2.gz KGZGRXMOWTXMJA-RHSMWYFYSA-N 2 1 347.507 1.539 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000996300667 702692749 /nfs/dbraw/zinc/69/27/49/702692749.db2.gz OFWKHJQSBSSSGT-GXTWGEPZSA-N 2 1 337.493 1.349 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996311832 702700819 /nfs/dbraw/zinc/70/08/19/702700819.db2.gz WDRJXRPLQMKKTE-HNNXBMFYSA-N 2 1 349.479 1.437 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996311832 702700820 /nfs/dbraw/zinc/70/08/20/702700820.db2.gz WDRJXRPLQMKKTE-HNNXBMFYSA-N 2 1 349.479 1.437 20 0 EDADMP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2nccc(C)n2)C(C)(C)C1)[NH+](C)C ZINC000996315640 702703779 /nfs/dbraw/zinc/70/37/79/702703779.db2.gz QUMDTHNYQNPJLZ-GJZGRUSLSA-N 2 1 333.480 1.452 20 0 EDADMP CCc1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)o1 ZINC000995213260 702706671 /nfs/dbraw/zinc/70/66/71/702706671.db2.gz QESUPBMDJYUHSI-KGLIPLIRSA-N 2 1 335.452 1.102 20 0 EDADMP CC[C@H]([NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C)C(N)=O ZINC000996378749 702744583 /nfs/dbraw/zinc/74/45/83/702744583.db2.gz YRCKRXZCVIYOIL-KBPBESRZSA-N 2 1 349.479 1.097 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)on1 ZINC000942256300 702747438 /nfs/dbraw/zinc/74/74/38/702747438.db2.gz DHVOEGOEBQVWOP-RHSMWYFYSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)cn1 ZINC000996463544 702791145 /nfs/dbraw/zinc/79/11/45/702791145.db2.gz HTWVYWWDCRJWRM-GOSISDBHSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)ncn1 ZINC000996465572 702792799 /nfs/dbraw/zinc/79/27/99/702792799.db2.gz WFBVHMBMKPNIAD-SFHVURJKSA-N 2 1 345.491 1.738 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3cncc(F)c3)C(C)(C)C2)C1 ZINC000996516949 702852434 /nfs/dbraw/zinc/85/24/34/702852434.db2.gz COMVBYJYPKQXBK-WMLDXEAASA-N 2 1 348.466 1.889 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518227 702853873 /nfs/dbraw/zinc/85/38/73/702853873.db2.gz INVWPJGBFSYSRF-DOTOQJQBSA-N 2 1 348.491 1.960 20 0 EDADMP CCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)no1 ZINC000996560541 702879245 /nfs/dbraw/zinc/87/92/45/702879245.db2.gz JIXBCRLDUBTJOD-OAHLLOKOSA-N 2 1 347.463 1.054 20 0 EDADMP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996610818 702915729 /nfs/dbraw/zinc/91/57/29/702915729.db2.gz KVLFOXMFVFBIJL-HIFRSBDPSA-N 2 1 336.505 1.730 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cc4n(n3)CCC4)C(C)(C)C2)C1 ZINC000996617722 702924536 /nfs/dbraw/zinc/92/45/36/702924536.db2.gz VUOGFFUKQTYVCU-PBHICJAKSA-N 2 1 345.491 1.108 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2conc2C)CC1 ZINC000996644250 702946708 /nfs/dbraw/zinc/94/67/08/702946708.db2.gz IGBYKENVGYNLFW-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnoc2C)CC1 ZINC000996663451 702961329 /nfs/dbraw/zinc/96/13/29/702961329.db2.gz SDGQCNDNIHXFIU-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@H]1C[C@H](C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CCO1 ZINC000996667022 702963899 /nfs/dbraw/zinc/96/38/99/702963899.db2.gz VTEYSVOBPSGVJU-JKSUJKDBSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1ccccc1OCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001032315849 702980346 /nfs/dbraw/zinc/98/03/46/702980346.db2.gz YJZQCPOUDXQEAX-OKZBNKHCSA-N 2 1 343.471 1.753 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCc2ccns2)C[C@H]1C ZINC000942518101 703012519 /nfs/dbraw/zinc/01/25/19/703012519.db2.gz MCJOJYPBZGKIHL-CJNGLKHVSA-N 2 1 347.488 1.717 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCc2ccns2)C[C@H]1C ZINC000942518101 703012522 /nfs/dbraw/zinc/01/25/22/703012522.db2.gz MCJOJYPBZGKIHL-CJNGLKHVSA-N 2 1 347.488 1.717 20 0 EDADMP Cc1cncn1CC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nc2C)C[C@@H]1C ZINC000942518342 703013076 /nfs/dbraw/zinc/01/30/76/703013076.db2.gz QNMHIDJDIGNDNR-GUYCJALGSA-N 2 1 344.463 1.260 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nc2C)C[C@@H]1C ZINC000942518342 703013082 /nfs/dbraw/zinc/01/30/82/703013082.db2.gz QNMHIDJDIGNDNR-GUYCJALGSA-N 2 1 344.463 1.260 20 0 EDADMP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000996726684 703021619 /nfs/dbraw/zinc/02/16/19/703021619.db2.gz ZBJFGPYWTIZAPU-SFHVURJKSA-N 2 1 347.507 1.565 20 0 EDADMP CCCn1ncnc1C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000996729278 703026156 /nfs/dbraw/zinc/02/61/56/703026156.db2.gz MVNYYICXFHBWIN-MRXNPFEDSA-N 2 1 348.495 1.253 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC000942529213 703030170 /nfs/dbraw/zinc/03/01/70/703030170.db2.gz HCWDCOBYPQUONF-YJBOKZPZSA-N 2 1 333.476 1.223 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596674 703111271 /nfs/dbraw/zinc/11/12/71/703111271.db2.gz DTJBEDRGSQZXRN-KBXCAEBGSA-N 2 1 348.466 1.889 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596674 703111273 /nfs/dbraw/zinc/11/12/73/703111273.db2.gz DTJBEDRGSQZXRN-KBXCAEBGSA-N 2 1 348.466 1.889 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cncs2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598046 703112822 /nfs/dbraw/zinc/11/28/22/703112822.db2.gz QOXNLLPKVSTLBM-XJKSGUPXSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccns2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598148 703113337 /nfs/dbraw/zinc/11/33/37/703113337.db2.gz RZDAFPOZUUMQKM-XJKSGUPXSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]C(C)C)[C@H](C(F)(F)F)C1 ZINC000996857988 703142082 /nfs/dbraw/zinc/14/20/82/703142082.db2.gz NABCJCKWODQXRS-CHWSQXEVSA-N 2 1 332.370 1.826 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)[nH]1 ZINC000996922195 703193159 /nfs/dbraw/zinc/19/31/59/703193159.db2.gz NUXQCGWNPRPJLD-GUTXKFCHSA-N 2 1 348.495 1.485 20 0 EDADMP Cc1ncc(CN2CC(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)cn1 ZINC001032042939 703210601 /nfs/dbraw/zinc/21/06/01/703210601.db2.gz PASUILZIMXGGKM-ROUUACIJSA-N 2 1 343.475 1.350 20 0 EDADMP CC(C)n1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)nn1 ZINC000996994837 703251496 /nfs/dbraw/zinc/25/14/96/703251496.db2.gz KJJMAWGITAORDT-HNNXBMFYSA-N 2 1 348.495 1.424 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1)c1csnn1 ZINC000996999106 703255953 /nfs/dbraw/zinc/25/59/53/703255953.db2.gz MPDUAEXHMXGQKU-QWHCGFSZSA-N 2 1 337.493 1.664 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2noc(C3CC3)n2)CC1 ZINC000997002349 703258899 /nfs/dbraw/zinc/25/88/99/703258899.db2.gz VKAGMDNEGSIKMX-WFASDCNBSA-N 2 1 347.463 1.225 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2noc(C3CC3)n2)CC1 ZINC000997002349 703258900 /nfs/dbraw/zinc/25/89/00/703258900.db2.gz VKAGMDNEGSIKMX-WFASDCNBSA-N 2 1 347.463 1.225 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2noc(C3CC3)n2)CC1 ZINC000997002342 703259006 /nfs/dbraw/zinc/25/90/06/703259006.db2.gz VKAGMDNEGSIKMX-IUODEOHRSA-N 2 1 347.463 1.225 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2noc(C3CC3)n2)CC1 ZINC000997002342 703259009 /nfs/dbraw/zinc/25/90/09/703259009.db2.gz VKAGMDNEGSIKMX-IUODEOHRSA-N 2 1 347.463 1.225 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC000997004479 703261523 /nfs/dbraw/zinc/26/15/23/703261523.db2.gz DIMITHXGFRPULK-ZDUSSCGKSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nnsc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000997009066 703269685 /nfs/dbraw/zinc/26/96/85/703269685.db2.gz XUHYURPWTAPEGG-GFCCVEGCSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997013446 703273289 /nfs/dbraw/zinc/27/32/89/703273289.db2.gz ZKFMZFPIRFPUQF-DOTOQJQBSA-N 2 1 330.476 1.668 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000997055351 703307642 /nfs/dbraw/zinc/30/76/42/703307642.db2.gz VVJWKLACKQLGQZ-OAHLLOKOSA-N 2 1 334.464 1.624 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cncn2C)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821160 703329252 /nfs/dbraw/zinc/32/92/52/703329252.db2.gz CKOXBUMJEKEUSS-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[NH+](Cc2cncn2C)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821160 703329255 /nfs/dbraw/zinc/32/92/55/703329255.db2.gz CKOXBUMJEKEUSS-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[NH+](Cc2cncn2C)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821160 703329256 /nfs/dbraw/zinc/32/92/56/703329256.db2.gz CKOXBUMJEKEUSS-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000997085683 703331396 /nfs/dbraw/zinc/33/13/96/703331396.db2.gz SREJBWRNIBSLFH-GDBMZVCRSA-N 2 1 349.504 1.636 20 0 EDADMP CC(C)=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997175536 703462564 /nfs/dbraw/zinc/46/25/64/703462564.db2.gz GCHZQYHRTPCRRE-JFIYKMOQSA-N 2 1 337.508 1.888 20 0 EDADMP CC(C)=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997175536 703462565 /nfs/dbraw/zinc/46/25/65/703462565.db2.gz GCHZQYHRTPCRRE-JFIYKMOQSA-N 2 1 337.508 1.888 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3cc(C4CC4)no3)CC2)C1 ZINC000997185021 703473711 /nfs/dbraw/zinc/47/37/11/703473711.db2.gz OSNKPJDITRMWEC-AWEZNQCLSA-N 2 1 346.475 1.974 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]CCC3CCOCC3)CC2)C1 ZINC000997185168 703474361 /nfs/dbraw/zinc/47/43/61/703474361.db2.gz QWSWDOMKMGQMEK-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997188109 703477932 /nfs/dbraw/zinc/47/79/32/703477932.db2.gz YNXYCYLWIKPEET-OAHLLOKOSA-N 2 1 334.464 1.714 20 0 EDADMP CCCc1nc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)no1 ZINC000997190661 703478439 /nfs/dbraw/zinc/47/84/39/703478439.db2.gz BRUAXMFMHGBBPK-UHFFFAOYSA-N 2 1 347.463 1.199 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](C[C@H](C)O)CC1 ZINC000997278623 703536806 /nfs/dbraw/zinc/53/68/06/703536806.db2.gz HCUUQEZWIDVHDT-MPTYRVRUSA-N 2 1 325.497 1.314 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccnc(Cl)c3)CC2)C1 ZINC000997297223 703555766 /nfs/dbraw/zinc/55/57/66/703555766.db2.gz DGMZSJWBFDZIHJ-CQSZACIVSA-N 2 1 336.867 1.767 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2cnc(C)cn2)CC1 ZINC000997310238 703567506 /nfs/dbraw/zinc/56/75/06/703567506.db2.gz PKWAHNXTVLDCKW-UHFFFAOYSA-N 2 1 328.420 1.071 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCCCC2)CC1 ZINC001032705939 706756635 /nfs/dbraw/zinc/75/66/35/706756635.db2.gz RUSHYAFCIORUFG-ROUUACIJSA-N 2 1 349.519 1.963 20 0 EDADMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2cscn2)CC1 ZINC000997396419 703660363 /nfs/dbraw/zinc/66/03/63/703660363.db2.gz TZPKDDJWEDPMAY-CQSZACIVSA-N 2 1 348.516 1.956 20 0 EDADMP CN(C)c1ccnc(CNC(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 ZINC000921626371 703768618 /nfs/dbraw/zinc/76/86/18/703768618.db2.gz AKXGQIGJZJSOOR-CQSZACIVSA-N 2 1 340.431 1.621 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997588579 703876910 /nfs/dbraw/zinc/87/69/10/703876910.db2.gz XZSUGRGIZSKVNM-RDJZCZTQSA-N 2 1 325.497 1.458 20 0 EDADMP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997606927 703905619 /nfs/dbraw/zinc/90/56/19/703905619.db2.gz NGWIESKMHSDTCS-QGZVFWFLSA-N 2 1 334.464 1.714 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CCO)CC2)C1 ZINC000997614935 703912728 /nfs/dbraw/zinc/91/27/28/703912728.db2.gz WKLWLFRWCYJDDX-DOTOQJQBSA-N 2 1 325.497 1.173 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995554398 703969577 /nfs/dbraw/zinc/96/95/77/703969577.db2.gz WTTIMDQSAZAZMV-LSDHHAIUSA-N 2 1 348.495 1.027 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995554398 703969580 /nfs/dbraw/zinc/96/95/80/703969580.db2.gz WTTIMDQSAZAZMV-LSDHHAIUSA-N 2 1 348.495 1.027 20 0 EDADMP CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597750 704294219 /nfs/dbraw/zinc/29/42/19/704294219.db2.gz IQFYQXJETICEBG-FCGDIQPGSA-N 2 1 349.519 1.676 20 0 EDADMP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597750 704294221 /nfs/dbraw/zinc/29/42/21/704294221.db2.gz IQFYQXJETICEBG-FCGDIQPGSA-N 2 1 349.519 1.676 20 0 EDADMP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597750 704294222 /nfs/dbraw/zinc/29/42/22/704294222.db2.gz IQFYQXJETICEBG-FCGDIQPGSA-N 2 1 349.519 1.676 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnc(C)o2)C1 ZINC000999308910 706809902 /nfs/dbraw/zinc/80/99/02/706809902.db2.gz SKJJNZQDASRMEX-DOTOQJQBSA-N 2 1 334.464 1.938 20 0 EDADMP CC(C)=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001004382187 704360954 /nfs/dbraw/zinc/36/09/54/704360954.db2.gz VMEDZYULFZNSJS-RTBURBONSA-N 2 1 349.519 1.986 20 0 EDADMP CC(C)=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001004382187 704360955 /nfs/dbraw/zinc/36/09/55/704360955.db2.gz VMEDZYULFZNSJS-RTBURBONSA-N 2 1 349.519 1.986 20 0 EDADMP CC(C)=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004382187 704360957 /nfs/dbraw/zinc/36/09/57/704360957.db2.gz VMEDZYULFZNSJS-RTBURBONSA-N 2 1 349.519 1.986 20 0 EDADMP CC(C)=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004382187 704360959 /nfs/dbraw/zinc/36/09/59/704360959.db2.gz VMEDZYULFZNSJS-RTBURBONSA-N 2 1 349.519 1.986 20 0 EDADMP C[N@@H+](CCCCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)C1CC1 ZINC000922808567 704384718 /nfs/dbraw/zinc/38/47/18/704384718.db2.gz CAMJMBJJWOCSCA-HZPDHXFCSA-N 2 1 340.537 1.740 20 0 EDADMP C[NH+](CCCCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C1CC1 ZINC000922808567 704384719 /nfs/dbraw/zinc/38/47/19/704384719.db2.gz CAMJMBJJWOCSCA-HZPDHXFCSA-N 2 1 340.537 1.740 20 0 EDADMP C[NH+](CCCCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C1CC1 ZINC000922808567 704384721 /nfs/dbraw/zinc/38/47/21/704384721.db2.gz CAMJMBJJWOCSCA-HZPDHXFCSA-N 2 1 340.537 1.740 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC[NH+](CCF)CC1 ZINC000997692978 704562547 /nfs/dbraw/zinc/56/25/47/704562547.db2.gz VXGRGSDWAWVGJN-DFFOAJLQSA-N 2 1 339.455 1.036 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995608378 704571658 /nfs/dbraw/zinc/57/16/58/704571658.db2.gz VDKDUZGCHWFIHQ-SJORKVTESA-N 2 1 346.475 1.047 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995608378 704571661 /nfs/dbraw/zinc/57/16/61/704571661.db2.gz VDKDUZGCHWFIHQ-SJORKVTESA-N 2 1 346.475 1.047 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CC[NH+](CCF)CC2)C1 ZINC000997724703 704620844 /nfs/dbraw/zinc/62/08/44/704620844.db2.gz PPQPVNMFISSSMW-HOCLYGCPSA-N 2 1 329.460 1.282 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CC[NH+](CCF)CC2)C1 ZINC000997724703 704620845 /nfs/dbraw/zinc/62/08/45/704620845.db2.gz PPQPVNMFISSSMW-HOCLYGCPSA-N 2 1 329.460 1.282 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1cncs1 ZINC000947936270 704660270 /nfs/dbraw/zinc/66/02/70/704660270.db2.gz UJOTXUJOCINEQM-ZIAGYGMSSA-N 2 1 334.489 1.708 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000997777031 704678001 /nfs/dbraw/zinc/67/80/01/704678001.db2.gz RDXGJAVICGIESW-SFHVURJKSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nc1 ZINC000997785053 704688946 /nfs/dbraw/zinc/68/89/46/704688946.db2.gz IIZWDTABUMGFRY-NVXWUHKLSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nnsc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944918959 704770200 /nfs/dbraw/zinc/77/02/00/704770200.db2.gz LSDNENUTIFKEPB-JSGCOSHPSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1nnsc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944918959 704770202 /nfs/dbraw/zinc/77/02/02/704770202.db2.gz LSDNENUTIFKEPB-JSGCOSHPSA-N 2 1 337.493 1.269 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918950 704770210 /nfs/dbraw/zinc/77/02/10/704770210.db2.gz LQUPCFPCUXBDEO-UKRRQHHQSA-N 2 1 329.435 1.954 20 0 EDADMP Cc1nnsc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944918958 704770358 /nfs/dbraw/zinc/77/03/58/704770358.db2.gz LSDNENUTIFKEPB-GXTWGEPZSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1nnsc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944918958 704770359 /nfs/dbraw/zinc/77/03/59/704770359.db2.gz LSDNENUTIFKEPB-GXTWGEPZSA-N 2 1 337.493 1.269 20 0 EDADMP CCn1ncnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997863682 704770841 /nfs/dbraw/zinc/77/08/41/704770841.db2.gz DKAGDPSOHILWAX-INIZCTEOSA-N 2 1 348.495 1.111 20 0 EDADMP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997864434 704770915 /nfs/dbraw/zinc/77/09/15/704770915.db2.gz HXOOOWOCCCMOKK-QGZVFWFLSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000997860764 704771484 /nfs/dbraw/zinc/77/14/84/704771484.db2.gz CUFNEHIXFSWVSE-XJKSGUPXSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)ncn1 ZINC000944920831 704773142 /nfs/dbraw/zinc/77/31/42/704773142.db2.gz WMPDRVDOAMAHOE-PBHICJAKSA-N 2 1 331.464 1.207 20 0 EDADMP CCn1ccc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997866648 704773521 /nfs/dbraw/zinc/77/35/21/704773521.db2.gz MJMZHLVNVXYXSC-RDJZCZTQSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997866648 704773522 /nfs/dbraw/zinc/77/35/22/704773522.db2.gz MJMZHLVNVXYXSC-RDJZCZTQSA-N 2 1 347.507 1.571 20 0 EDADMP Cc1ncoc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997868449 704773648 /nfs/dbraw/zinc/77/36/48/704773648.db2.gz USVCYQHJYUHHBK-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C)C1CCCC1 ZINC001032573863 704952495 /nfs/dbraw/zinc/95/24/95/704952495.db2.gz VBKVUVSHBLFTKU-CADBVGFASA-N 2 1 349.519 1.961 20 0 EDADMP CO[C@H](C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001032573863 704952498 /nfs/dbraw/zinc/95/24/98/704952498.db2.gz VBKVUVSHBLFTKU-CADBVGFASA-N 2 1 349.519 1.961 20 0 EDADMP CO[C@H](C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001032573863 704952500 /nfs/dbraw/zinc/95/25/00/704952500.db2.gz VBKVUVSHBLFTKU-CADBVGFASA-N 2 1 349.519 1.961 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000998005359 705163636 /nfs/dbraw/zinc/16/36/36/705163636.db2.gz AAYDQFLUQMJATH-BRWVUGGUSA-N 2 1 325.497 1.676 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCC[NH+](CCOC)CC1 ZINC000998005359 705163638 /nfs/dbraw/zinc/16/36/38/705163638.db2.gz AAYDQFLUQMJATH-BRWVUGGUSA-N 2 1 325.497 1.676 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCC[NH+](CCOC)CC1 ZINC000998005359 705163642 /nfs/dbraw/zinc/16/36/42/705163642.db2.gz AAYDQFLUQMJATH-BRWVUGGUSA-N 2 1 325.497 1.676 20 0 EDADMP CCN(C(=O)[C@H]1CCc2[nH]c(C)nc2C1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998042765 705237683 /nfs/dbraw/zinc/23/76/83/705237683.db2.gz AMVKOLMSZYWALC-HOTGVXAUSA-N 2 1 348.491 1.518 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000998081586 705302524 /nfs/dbraw/zinc/30/25/24/705302524.db2.gz JYLIUYAWGXZSML-CYBMUJFWSA-N 2 1 337.493 1.351 20 0 EDADMP Cc1oncc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000998081687 705303905 /nfs/dbraw/zinc/30/39/05/705303905.db2.gz LZVDZOSWIMXNJQ-AWEZNQCLSA-N 2 1 334.464 1.653 20 0 EDADMP CCn1ccc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000998080553 705306145 /nfs/dbraw/zinc/30/61/45/705306145.db2.gz DGGHEUSLJDZPML-MRXNPFEDSA-N 2 1 347.507 1.716 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)on1 ZINC000998082510 705310029 /nfs/dbraw/zinc/31/00/29/705310029.db2.gz QDSUWWWRTJODMB-CXAGYDPISA-N 2 1 334.464 1.509 20 0 EDADMP Cc1cncc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC000998083068 705311414 /nfs/dbraw/zinc/31/14/14/705311414.db2.gz UJEFTRCCFQOFIG-VQIMIIECSA-N 2 1 344.503 1.916 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000998084096 705314586 /nfs/dbraw/zinc/31/45/86/705314586.db2.gz ZNYVIOMOMLUKIT-ZIAGYGMSSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)s1 ZINC001032602768 705410757 /nfs/dbraw/zinc/41/07/57/705410757.db2.gz ZYNLYDCLKDLSKL-HOTGVXAUSA-N 2 1 348.516 1.887 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)s1 ZINC001032602768 705410760 /nfs/dbraw/zinc/41/07/60/705410760.db2.gz ZYNLYDCLKDLSKL-HOTGVXAUSA-N 2 1 348.516 1.887 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)nc1 ZINC000998215475 705535922 /nfs/dbraw/zinc/53/59/22/705535922.db2.gz ADFHUXPOCWWXHZ-QGZVFWFLSA-N 2 1 345.491 1.455 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000998268077 705639958 /nfs/dbraw/zinc/63/99/58/705639958.db2.gz DVPHPEUKODNTAN-QGZVFWFLSA-N 2 1 334.464 1.446 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](O)c1ccccc1 ZINC001032627492 705730904 /nfs/dbraw/zinc/73/09/04/705730904.db2.gz YBZWLEVMRXISAD-XGXHKWSGSA-N 2 1 343.471 1.489 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](O)c1ccccc1 ZINC001032627492 705730905 /nfs/dbraw/zinc/73/09/05/705730905.db2.gz YBZWLEVMRXISAD-XGXHKWSGSA-N 2 1 343.471 1.489 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)c1ccccc1 ZINC001032627492 705730907 /nfs/dbraw/zinc/73/09/07/705730907.db2.gz YBZWLEVMRXISAD-XGXHKWSGSA-N 2 1 343.471 1.489 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)c1ccccc1 ZINC001032627492 705730908 /nfs/dbraw/zinc/73/09/08/705730908.db2.gz YBZWLEVMRXISAD-XGXHKWSGSA-N 2 1 343.471 1.489 20 0 EDADMP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@@H]2CCCCO2)C1 ZINC001032628664 705746208 /nfs/dbraw/zinc/74/62/08/705746208.db2.gz APSXTZFORHVIOX-ULQDDVLXSA-N 2 1 335.492 1.573 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@@H]2CCCCO2)C1 ZINC001032628664 705746212 /nfs/dbraw/zinc/74/62/12/705746212.db2.gz APSXTZFORHVIOX-ULQDDVLXSA-N 2 1 335.492 1.573 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCCCO2)C1 ZINC001032628664 705746215 /nfs/dbraw/zinc/74/62/15/705746215.db2.gz APSXTZFORHVIOX-ULQDDVLXSA-N 2 1 335.492 1.573 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CCCCO2)C1 ZINC001032628664 705746217 /nfs/dbraw/zinc/74/62/17/705746217.db2.gz APSXTZFORHVIOX-ULQDDVLXSA-N 2 1 335.492 1.573 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000998553352 705990953 /nfs/dbraw/zinc/99/09/53/705990953.db2.gz WIXSKLBWAIVZPU-RUXDESIVSA-N 2 1 335.452 1.366 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000998553352 705990956 /nfs/dbraw/zinc/99/09/56/705990956.db2.gz WIXSKLBWAIVZPU-RUXDESIVSA-N 2 1 335.452 1.366 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000998718107 706149932 /nfs/dbraw/zinc/14/99/32/706149932.db2.gz BCLOBJNRQXXFAA-JKSUJKDBSA-N 2 1 332.448 1.265 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000998720149 706152321 /nfs/dbraw/zinc/15/23/21/706152321.db2.gz IKSVCJPSTXJEGF-RBUKOAKNSA-N 2 1 343.471 1.892 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(CO)ccc2F)C1 ZINC000998728168 706158168 /nfs/dbraw/zinc/15/81/68/706158168.db2.gz BTRIUDSFLMPMAE-WMZOPIPTSA-N 2 1 349.450 1.493 20 0 EDADMP CC(C)c1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC000998730727 706163371 /nfs/dbraw/zinc/16/33/71/706163371.db2.gz KSQMDWUZBOIRRU-HUUCEWRRSA-N 2 1 334.464 1.973 20 0 EDADMP CC(C)c1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC000998730727 706163372 /nfs/dbraw/zinc/16/33/72/706163372.db2.gz KSQMDWUZBOIRRU-HUUCEWRRSA-N 2 1 334.464 1.973 20 0 EDADMP CCc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998822600 706269516 /nfs/dbraw/zinc/26/95/16/706269516.db2.gz GVSMFBJKRTYHKK-RTBURBONSA-N 2 1 345.487 1.660 20 0 EDADMP CCc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998822600 706269522 /nfs/dbraw/zinc/26/95/22/706269522.db2.gz GVSMFBJKRTYHKK-RTBURBONSA-N 2 1 345.487 1.660 20 0 EDADMP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000998900725 706337220 /nfs/dbraw/zinc/33/72/20/706337220.db2.gz GXEOZKSQOJGABO-UYSNPLJNSA-N 2 1 343.431 1.836 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)[nH]1 ZINC000998992978 706424958 /nfs/dbraw/zinc/42/49/58/706424958.db2.gz DECBZQNEBGHJQI-YMAMQOFZSA-N 2 1 348.495 1.491 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000999143640 706557134 /nfs/dbraw/zinc/55/71/34/706557134.db2.gz HPILRALBUQKQAY-KGLIPLIRSA-N 2 1 337.493 1.492 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000999143640 706557135 /nfs/dbraw/zinc/55/71/35/706557135.db2.gz HPILRALBUQKQAY-KGLIPLIRSA-N 2 1 337.493 1.492 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000999354185 706843118 /nfs/dbraw/zinc/84/31/18/706843118.db2.gz PMUKDVZKLDWEEB-NVXWUHKLSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000999354185 706843120 /nfs/dbraw/zinc/84/31/20/706843120.db2.gz PMUKDVZKLDWEEB-NVXWUHKLSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC000999356099 706846430 /nfs/dbraw/zinc/84/64/30/706846430.db2.gz YHFYDBPBKDESTM-IRXDYDNUSA-N 2 1 347.507 1.764 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000999352538 706865353 /nfs/dbraw/zinc/86/53/53/706865353.db2.gz JNJVPQRAQGKUIT-SJLPKXTDSA-N 2 1 335.492 1.620 20 0 EDADMP CC(C)n1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC000999362553 706876085 /nfs/dbraw/zinc/87/60/85/706876085.db2.gz BDUQKZKLFATOAI-WBVHZDCISA-N 2 1 348.495 1.280 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)o1 ZINC000999402562 706911138 /nfs/dbraw/zinc/91/11/38/706911138.db2.gz SNCPVVWGSRKYTR-JKSUJKDBSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)o1 ZINC000999402562 706911140 /nfs/dbraw/zinc/91/11/40/706911140.db2.gz SNCPVVWGSRKYTR-JKSUJKDBSA-N 2 1 334.464 1.938 20 0 EDADMP CC(C)n1cc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC000999406815 706916051 /nfs/dbraw/zinc/91/60/51/706916051.db2.gz RUQMWYLRLNXBIP-HPUBIQBYSA-N 2 1 348.495 1.422 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC000999431678 706939124 /nfs/dbraw/zinc/93/91/24/706939124.db2.gz CZZWNNYYYDAEBD-WBVHZDCISA-N 2 1 333.480 1.452 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)ccn1 ZINC000999507771 707005443 /nfs/dbraw/zinc/00/54/43/707005443.db2.gz DXGVEDRPNCYNGG-SJORKVTESA-N 2 1 346.475 1.655 20 0 EDADMP COc1nccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000999515080 707014024 /nfs/dbraw/zinc/01/40/24/707014024.db2.gz WZAMSPVNDQAICH-HOTGVXAUSA-N 2 1 347.463 1.050 20 0 EDADMP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC000999494903 707031422 /nfs/dbraw/zinc/03/14/22/707031422.db2.gz JBWSDUIBBWXOBS-KBAYOESNSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC000999494903 707031425 /nfs/dbraw/zinc/03/14/25/707031425.db2.gz JBWSDUIBBWXOBS-KBAYOESNSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)no1 ZINC000999595054 707098240 /nfs/dbraw/zinc/09/82/40/707098240.db2.gz DLUBWRARLBIWET-OAHLLOKOSA-N 2 1 332.448 1.692 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)co1 ZINC000999601808 707103606 /nfs/dbraw/zinc/10/36/06/707103606.db2.gz PLVNLMIZPDXKOB-UHFFFAOYSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC000999689213 707244567 /nfs/dbraw/zinc/24/45/67/707244567.db2.gz PNQOFEBRBJVIKR-FHERZECASA-N 2 1 334.464 1.712 20 0 EDADMP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999690516 707247612 /nfs/dbraw/zinc/24/76/12/707247612.db2.gz ZZDSWMIBCJKOHU-ODIFPOPNSA-N 2 1 333.480 1.324 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC001033265934 707291280 /nfs/dbraw/zinc/29/12/80/707291280.db2.gz KZONMAWNRMOAQY-KRWDZBQOSA-N 2 1 344.463 1.238 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC001033265934 707291284 /nfs/dbraw/zinc/29/12/84/707291284.db2.gz KZONMAWNRMOAQY-KRWDZBQOSA-N 2 1 344.463 1.238 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)on1 ZINC001033181742 707344063 /nfs/dbraw/zinc/34/40/63/707344063.db2.gz KEZYFLNZBMVSFT-MRXNPFEDSA-N 2 1 346.475 1.892 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)on1 ZINC001033181742 707344066 /nfs/dbraw/zinc/34/40/66/707344066.db2.gz KEZYFLNZBMVSFT-MRXNPFEDSA-N 2 1 346.475 1.892 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033182283 707357205 /nfs/dbraw/zinc/35/72/05/707357205.db2.gz NZJNSGPGUGFFEY-QGZVFWFLSA-N 2 1 345.491 1.329 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033182283 707357212 /nfs/dbraw/zinc/35/72/12/707357212.db2.gz NZJNSGPGUGFFEY-QGZVFWFLSA-N 2 1 345.491 1.329 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)n1 ZINC001033197696 707434043 /nfs/dbraw/zinc/43/40/43/707434043.db2.gz JHTIEWMIKSTDMN-MSOLQXFVSA-N 2 1 347.507 1.517 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001033197696 707434048 /nfs/dbraw/zinc/43/40/48/707434048.db2.gz JHTIEWMIKSTDMN-MSOLQXFVSA-N 2 1 347.507 1.517 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001033197696 707434053 /nfs/dbraw/zinc/43/40/53/707434053.db2.gz JHTIEWMIKSTDMN-MSOLQXFVSA-N 2 1 347.507 1.517 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199744 707452399 /nfs/dbraw/zinc/45/23/99/707452399.db2.gz XUIJRQWHEHQWDN-DOTOQJQBSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199744 707452401 /nfs/dbraw/zinc/45/24/01/707452401.db2.gz XUIJRQWHEHQWDN-DOTOQJQBSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033199744 707452403 /nfs/dbraw/zinc/45/24/03/707452403.db2.gz XUIJRQWHEHQWDN-DOTOQJQBSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033199744 707452405 /nfs/dbraw/zinc/45/24/05/707452405.db2.gz XUIJRQWHEHQWDN-DOTOQJQBSA-N 2 1 334.464 1.808 20 0 EDADMP CN(C)c1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC000999836850 707472774 /nfs/dbraw/zinc/47/27/74/707472774.db2.gz LWJSFILMFVXYPB-KLAILNCOSA-N 2 1 345.491 1.178 20 0 EDADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)cn1 ZINC000999836958 707472963 /nfs/dbraw/zinc/47/29/63/707472963.db2.gz MTJGIPKMTPOGJL-UHFFFAOYSA-N 2 1 343.431 1.374 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CCOCC1 ZINC001004903547 707594658 /nfs/dbraw/zinc/59/46/58/707594658.db2.gz WFXBWLXNULHCFF-SJLPKXTDSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)s1 ZINC001033391748 707724513 /nfs/dbraw/zinc/72/45/13/707724513.db2.gz WNKGJIKBSLDNEB-HNNXBMFYSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)s1 ZINC001033391748 707724517 /nfs/dbraw/zinc/72/45/17/707724517.db2.gz WNKGJIKBSLDNEB-HNNXBMFYSA-N 2 1 336.505 1.826 20 0 EDADMP CN(C)c1ccncc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCOC1 ZINC001032735608 707753773 /nfs/dbraw/zinc/75/37/73/707753773.db2.gz ALENJFAHFNMFML-PMPSAXMXSA-N 2 1 344.459 1.473 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCOC1 ZINC001032735608 707753783 /nfs/dbraw/zinc/75/37/83/707753783.db2.gz ALENJFAHFNMFML-PMPSAXMXSA-N 2 1 344.459 1.473 20 0 EDADMP CC(C)n1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001000199975 707839447 /nfs/dbraw/zinc/83/94/47/707839447.db2.gz OAGUWBJUUVTNTF-AEFFLSMTSA-N 2 1 347.507 1.886 20 0 EDADMP CN(C)C(=O)c1cccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000921720836 707904004 /nfs/dbraw/zinc/90/40/04/707904004.db2.gz MJJSTCLNZPMZIX-GOSISDBHSA-N 2 1 333.476 1.715 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)ncn1 ZINC001033474679 707963765 /nfs/dbraw/zinc/96/37/65/707963765.db2.gz JJGNVNDMHMSPSP-SFHVURJKSA-N 2 1 345.491 1.550 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)ncn1 ZINC001033474679 707963768 /nfs/dbraw/zinc/96/37/68/707963768.db2.gz JJGNVNDMHMSPSP-SFHVURJKSA-N 2 1 345.491 1.550 20 0 EDADMP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1C)C1CCCC1 ZINC001032784032 707982272 /nfs/dbraw/zinc/98/22/72/707982272.db2.gz DOGAZRUXCGTTHT-OKZBNKHCSA-N 2 1 346.475 1.682 20 0 EDADMP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C)C1CCCC1 ZINC001032784032 707982273 /nfs/dbraw/zinc/98/22/73/707982273.db2.gz DOGAZRUXCGTTHT-OKZBNKHCSA-N 2 1 346.475 1.682 20 0 EDADMP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C)C1CCCC1 ZINC001032784032 707982274 /nfs/dbraw/zinc/98/22/74/707982274.db2.gz DOGAZRUXCGTTHT-OKZBNKHCSA-N 2 1 346.475 1.682 20 0 EDADMP C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCC1 ZINC001032784586 707985406 /nfs/dbraw/zinc/98/54/06/707985406.db2.gz DFPUWXFHHFOAPN-WDSOQIARSA-N 2 1 349.519 1.820 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCC1 ZINC001032784586 707985407 /nfs/dbraw/zinc/98/54/07/707985407.db2.gz DFPUWXFHHFOAPN-WDSOQIARSA-N 2 1 349.519 1.820 20 0 EDADMP CO[C@@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CCC1 ZINC001005184568 708111254 /nfs/dbraw/zinc/11/12/54/708111254.db2.gz ODHMVITXZZRLDK-ROUUACIJSA-N 2 1 337.508 1.819 20 0 EDADMP CCc1nocc1C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001005180594 708124161 /nfs/dbraw/zinc/12/41/61/708124161.db2.gz TXQIXDLIGCWWSV-QGZVFWFLSA-N 2 1 334.464 1.754 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001005182139 708128078 /nfs/dbraw/zinc/12/80/78/708128078.db2.gz CZFYVTAKOXYZAA-INIZCTEOSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033531840 708155299 /nfs/dbraw/zinc/15/52/99/708155299.db2.gz NTHGZWXIBWSOLD-QGZVFWFLSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033531840 708155301 /nfs/dbraw/zinc/15/53/01/708155301.db2.gz NTHGZWXIBWSOLD-QGZVFWFLSA-N 2 1 334.464 1.748 20 0 EDADMP CN(C(=O)c1cnn(-c2ccncc2)c1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033535265 708175092 /nfs/dbraw/zinc/17/50/92/708175092.db2.gz CTWOLVACVOVGLV-MRXNPFEDSA-N 2 1 331.395 1.773 20 0 EDADMP CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033535265 708175095 /nfs/dbraw/zinc/17/50/95/708175095.db2.gz CTWOLVACVOVGLV-MRXNPFEDSA-N 2 1 331.395 1.773 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001033582095 708264779 /nfs/dbraw/zinc/26/47/79/708264779.db2.gz NZLWFBSTKGLEBS-WMZOPIPTSA-N 2 1 347.507 1.320 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033582095 708264781 /nfs/dbraw/zinc/26/47/81/708264781.db2.gz NZLWFBSTKGLEBS-WMZOPIPTSA-N 2 1 347.507 1.320 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033582095 708264785 /nfs/dbraw/zinc/26/47/85/708264785.db2.gz NZLWFBSTKGLEBS-WMZOPIPTSA-N 2 1 347.507 1.320 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593900 708294444 /nfs/dbraw/zinc/29/44/44/708294444.db2.gz NVONOPNPLFQHKB-QGZVFWFLSA-N 2 1 328.460 1.519 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033594480 708296226 /nfs/dbraw/zinc/29/62/26/708296226.db2.gz QKXCKUUKLJNVAO-SFHVURJKSA-N 2 1 327.472 1.858 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CCN(Cc2cnns2)CC1 ZINC001001826576 708329098 /nfs/dbraw/zinc/32/90/98/708329098.db2.gz WRVSDHDNSJIXAG-WFASDCNBSA-N 2 1 337.493 1.064 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)on1 ZINC001001831831 708335253 /nfs/dbraw/zinc/33/52/53/708335253.db2.gz ARELXFLVOLMCRB-CXAGYDPISA-N 2 1 334.464 1.509 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001831870 708357772 /nfs/dbraw/zinc/35/77/72/708357772.db2.gz AZHPKPYOOZMYFP-FUHWJXTLSA-N 2 1 344.503 1.916 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC001033665747 708449073 /nfs/dbraw/zinc/44/90/73/708449073.db2.gz QMNKZWVEPGBMQZ-QAPCUYQASA-N 2 1 349.450 1.488 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC001033665747 708449074 /nfs/dbraw/zinc/44/90/74/708449074.db2.gz QMNKZWVEPGBMQZ-QAPCUYQASA-N 2 1 349.450 1.488 20 0 EDADMP CN(C)c1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)ccn1 ZINC001033666089 708450208 /nfs/dbraw/zinc/45/02/08/708450208.db2.gz UOKKGMCDSBQYFN-IAGOWNOFSA-N 2 1 345.491 1.132 20 0 EDADMP CN(C)c1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)ccn1 ZINC001033666089 708450209 /nfs/dbraw/zinc/45/02/09/708450209.db2.gz UOKKGMCDSBQYFN-IAGOWNOFSA-N 2 1 345.491 1.132 20 0 EDADMP CN(C)c1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC001033666089 708450211 /nfs/dbraw/zinc/45/02/11/708450211.db2.gz UOKKGMCDSBQYFN-IAGOWNOFSA-N 2 1 345.491 1.132 20 0 EDADMP Cc1nc(CC[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)cs1 ZINC001033670468 708460061 /nfs/dbraw/zinc/46/00/61/708460061.db2.gz VGQVRTFGMJQRLB-MRXNPFEDSA-N 2 1 347.488 1.732 20 0 EDADMP Cc1nc(CC[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)cs1 ZINC001033670468 708460065 /nfs/dbraw/zinc/46/00/65/708460065.db2.gz VGQVRTFGMJQRLB-MRXNPFEDSA-N 2 1 347.488 1.732 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC001033659093 708470162 /nfs/dbraw/zinc/47/01/62/708470162.db2.gz BLJLAEZFVIDPSE-WBVHZDCISA-N 2 1 349.450 1.302 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC001033659093 708470163 /nfs/dbraw/zinc/47/01/63/708470163.db2.gz BLJLAEZFVIDPSE-WBVHZDCISA-N 2 1 349.450 1.302 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc(CO)ccc2F)C1 ZINC001033659093 708470165 /nfs/dbraw/zinc/47/01/65/708470165.db2.gz BLJLAEZFVIDPSE-WBVHZDCISA-N 2 1 349.450 1.302 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc(CO)ccc2F)C1 ZINC001033659093 708470167 /nfs/dbraw/zinc/47/01/67/708470167.db2.gz BLJLAEZFVIDPSE-WBVHZDCISA-N 2 1 349.450 1.302 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033661472 708474380 /nfs/dbraw/zinc/47/43/80/708474380.db2.gz LMVLMFZDBNPLQV-ZWKOTPCHSA-N 2 1 331.460 1.163 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033661472 708474381 /nfs/dbraw/zinc/47/43/81/708474381.db2.gz LMVLMFZDBNPLQV-ZWKOTPCHSA-N 2 1 331.460 1.163 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033661472 708474383 /nfs/dbraw/zinc/47/43/83/708474383.db2.gz LMVLMFZDBNPLQV-ZWKOTPCHSA-N 2 1 331.460 1.163 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC001033681065 708492583 /nfs/dbraw/zinc/49/25/83/708492583.db2.gz RFQAFNIZUAQNHA-RBUKOAKNSA-N 2 1 345.487 1.748 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC001033681065 708492586 /nfs/dbraw/zinc/49/25/86/708492586.db2.gz RFQAFNIZUAQNHA-RBUKOAKNSA-N 2 1 345.487 1.748 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC001033681065 708492589 /nfs/dbraw/zinc/49/25/89/708492589.db2.gz RFQAFNIZUAQNHA-RBUKOAKNSA-N 2 1 345.487 1.748 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC001033681065 708492592 /nfs/dbraw/zinc/49/25/92/708492592.db2.gz RFQAFNIZUAQNHA-RBUKOAKNSA-N 2 1 345.487 1.748 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002042789 708533217 /nfs/dbraw/zinc/53/32/17/708533217.db2.gz JFIPIKRVYLNXSD-UHFFFAOYSA-N 2 1 349.504 1.271 20 0 EDADMP O=C(NCC1CC[NH+](CCn2cccn2)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001002087510 708595112 /nfs/dbraw/zinc/59/51/12/708595112.db2.gz CHNQKSNHJYFBDW-IBGZPJMESA-N 2 1 345.491 1.197 20 0 EDADMP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001002122540 708637089 /nfs/dbraw/zinc/63/70/89/708637089.db2.gz DKVBJEZMEWYPSH-QGZVFWFLSA-N 2 1 331.464 1.065 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2cncn2C)CC1 ZINC001002157786 708672014 /nfs/dbraw/zinc/67/20/14/708672014.db2.gz LRYBJVARVYHHIJ-SFHVURJKSA-N 2 1 347.507 1.623 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005384676 708822321 /nfs/dbraw/zinc/82/23/21/708822321.db2.gz NGLXJTFODSGTRI-WMZOPIPTSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001033830241 708851640 /nfs/dbraw/zinc/85/16/40/708851640.db2.gz GFPCPNCMSLXDCQ-ZWKOTPCHSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001033830241 708851642 /nfs/dbraw/zinc/85/16/42/708851642.db2.gz GFPCPNCMSLXDCQ-ZWKOTPCHSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033831134 708853427 /nfs/dbraw/zinc/85/34/27/708853427.db2.gz TUEOXZOHTSXDFU-RBUKOAKNSA-N 2 1 342.487 1.846 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001033831820 708854535 /nfs/dbraw/zinc/85/45/35/708854535.db2.gz YZRWYUNUPWNPEI-IAGOWNOFSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001033831820 708854539 /nfs/dbraw/zinc/85/45/39/708854539.db2.gz YZRWYUNUPWNPEI-IAGOWNOFSA-N 2 1 346.475 1.748 20 0 EDADMP C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001005392149 708865751 /nfs/dbraw/zinc/86/57/51/708865751.db2.gz XOLCWAGYIKVHAQ-AWEZNQCLSA-N 2 1 338.496 1.048 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001033927431 709057878 /nfs/dbraw/zinc/05/78/78/709057878.db2.gz MAGLIAKLRJLQCV-ROUUACIJSA-N 2 1 347.507 1.636 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001033927431 709057884 /nfs/dbraw/zinc/05/78/84/709057884.db2.gz MAGLIAKLRJLQCV-ROUUACIJSA-N 2 1 347.507 1.636 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033927431 709057886 /nfs/dbraw/zinc/05/78/86/709057886.db2.gz MAGLIAKLRJLQCV-ROUUACIJSA-N 2 1 347.507 1.636 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033927431 709057890 /nfs/dbraw/zinc/05/78/90/709057890.db2.gz MAGLIAKLRJLQCV-ROUUACIJSA-N 2 1 347.507 1.636 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCOC)C2 ZINC001040544826 709084963 /nfs/dbraw/zinc/08/49/63/709084963.db2.gz KMZZPCHHYLSJBL-MJGOQNOKSA-N 2 1 337.508 1.822 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCOC)C2 ZINC001040544826 709084964 /nfs/dbraw/zinc/08/49/64/709084964.db2.gz KMZZPCHHYLSJBL-MJGOQNOKSA-N 2 1 337.508 1.822 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCOC)C2 ZINC001040544826 709084968 /nfs/dbraw/zinc/08/49/68/709084968.db2.gz KMZZPCHHYLSJBL-MJGOQNOKSA-N 2 1 337.508 1.822 20 0 EDADMP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033983801 709193244 /nfs/dbraw/zinc/19/32/44/709193244.db2.gz YHZGOMALUGNMFL-GOSISDBHSA-N 2 1 347.507 1.947 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001034014743 709230492 /nfs/dbraw/zinc/23/04/92/709230492.db2.gz CROSYCVQEOUXNH-ROUUACIJSA-N 2 1 349.519 1.822 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001034039556 709272461 /nfs/dbraw/zinc/27/24/61/709272461.db2.gz KCXMGPGFGUEINX-LSDHHAIUSA-N 2 1 329.435 1.906 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001034039556 709272462 /nfs/dbraw/zinc/27/24/62/709272462.db2.gz KCXMGPGFGUEINX-LSDHHAIUSA-N 2 1 329.435 1.906 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001034039556 709272465 /nfs/dbraw/zinc/27/24/65/709272465.db2.gz KCXMGPGFGUEINX-LSDHHAIUSA-N 2 1 329.435 1.906 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002802212 709417031 /nfs/dbraw/zinc/41/70/31/709417031.db2.gz LQUMTLATQSEEHW-QAPCUYQASA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002802212 709417032 /nfs/dbraw/zinc/41/70/32/709417032.db2.gz LQUMTLATQSEEHW-QAPCUYQASA-N 2 1 346.475 1.938 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCCOC3)CC2)CC[N@H+]1C ZINC001002859277 709467013 /nfs/dbraw/zinc/46/70/13/709467013.db2.gz OQDBYHOKWNVQLJ-BPQIPLTHSA-N 2 1 337.508 1.724 20 0 EDADMP O=C(N[C@H]1CCCC[N@H+](Cc2cncs2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034211017 709561289 /nfs/dbraw/zinc/56/12/89/709561289.db2.gz KKOXQDNPKMKNLN-DOTOQJQBSA-N 2 1 348.516 1.956 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](Cc2cncs2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034211017 709561294 /nfs/dbraw/zinc/56/12/94/709561294.db2.gz KKOXQDNPKMKNLN-DOTOQJQBSA-N 2 1 348.516 1.956 20 0 EDADMP CCOC1CC(C[N@@H+]2CCCC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001034309927 709752922 /nfs/dbraw/zinc/75/29/22/709752922.db2.gz QYGDXPPSYGIDBH-ADKAHSJRSA-N 2 1 348.491 1.977 20 0 EDADMP CCOC1CC(C[N@H+]2CCCC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001034309927 709752926 /nfs/dbraw/zinc/75/29/26/709752926.db2.gz QYGDXPPSYGIDBH-ADKAHSJRSA-N 2 1 348.491 1.977 20 0 EDADMP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@H]1CCCc2[nH+]ccn21 ZINC001003000654 709759754 /nfs/dbraw/zinc/75/97/54/709759754.db2.gz BRDZRBRHKOJYJM-QGZVFWFLSA-N 2 1 346.475 1.768 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[NH+](CCOC)C2)C1 ZINC001034369763 709855941 /nfs/dbraw/zinc/85/59/41/709855941.db2.gz UZKXCUHCRVUFEI-DLBZAZTESA-N 2 1 325.497 1.726 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034396437 709935741 /nfs/dbraw/zinc/93/57/41/709935741.db2.gz FRBYOEHABIVLKD-IAGOWNOFSA-N 2 1 333.480 1.338 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CCn2cccn2)C1 ZINC001034396437 709935743 /nfs/dbraw/zinc/93/57/43/709935743.db2.gz FRBYOEHABIVLKD-IAGOWNOFSA-N 2 1 333.480 1.338 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CCn2cccn2)C1 ZINC001034396437 709935746 /nfs/dbraw/zinc/93/57/46/709935746.db2.gz FRBYOEHABIVLKD-IAGOWNOFSA-N 2 1 333.480 1.338 20 0 EDADMP C[C@@H](c1cnccn1)[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034489076 710138343 /nfs/dbraw/zinc/13/83/43/710138343.db2.gz ZVZRLJWOAICRQJ-HOTGVXAUSA-N 2 1 343.475 1.604 20 0 EDADMP C[C@@H](c1cnccn1)[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034489076 710138348 /nfs/dbraw/zinc/13/83/48/710138348.db2.gz ZVZRLJWOAICRQJ-HOTGVXAUSA-N 2 1 343.475 1.604 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003244147 710167272 /nfs/dbraw/zinc/16/72/72/710167272.db2.gz KIMWNHICMPPREO-UHFFFAOYSA-N 2 1 331.464 1.129 20 0 EDADMP CO[C@H](C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1)C1CCC1 ZINC001034528548 710182576 /nfs/dbraw/zinc/18/25/76/710182576.db2.gz PEXNUNMDGGCSNY-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP COCC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034541386 710215165 /nfs/dbraw/zinc/21/51/65/710215165.db2.gz PPCCVUYOPBBCCL-KRWDZBQOSA-N 2 1 333.476 1.979 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)CC1 ZINC001034606743 710269756 /nfs/dbraw/zinc/26/97/56/710269756.db2.gz CHIJNYWFQXMOGN-GUDVDZBRSA-N 2 1 345.487 1.790 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccns2)CC1 ZINC001034607424 710270902 /nfs/dbraw/zinc/27/09/02/710270902.db2.gz OVAAAWPMRJOSCH-DZKIICNBSA-N 2 1 336.505 1.797 20 0 EDADMP Cn1nccc1CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001034607429 710271069 /nfs/dbraw/zinc/27/10/69/710271069.db2.gz PCOVIWNGJKOXEK-BFYDXBDKSA-N 2 1 333.480 1.074 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001032838390 710279049 /nfs/dbraw/zinc/27/90/49/710279049.db2.gz QWOJMLFOJYPRHF-BRWVUGGUSA-N 2 1 335.423 1.144 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001032838390 710279052 /nfs/dbraw/zinc/27/90/52/710279052.db2.gz QWOJMLFOJYPRHF-BRWVUGGUSA-N 2 1 335.423 1.144 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001032838390 710279055 /nfs/dbraw/zinc/27/90/55/710279055.db2.gz QWOJMLFOJYPRHF-BRWVUGGUSA-N 2 1 335.423 1.144 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1)c1csnn1 ZINC001034610490 710284626 /nfs/dbraw/zinc/28/46/26/710284626.db2.gz RETYLQVECBTUAY-BHPKHCPMSA-N 2 1 337.493 1.710 20 0 EDADMP Cc1nnsc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001034610710 710284889 /nfs/dbraw/zinc/28/48/89/710284889.db2.gz ZLFFNQRXBARQQD-IHRRRGAJSA-N 2 1 337.493 1.458 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC001034610714 710284970 /nfs/dbraw/zinc/28/49/70/710284970.db2.gz ZQGMALDSDUUNMY-CADBVGFASA-N 2 1 345.487 1.831 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](C)O)CC1 ZINC001034663428 710332557 /nfs/dbraw/zinc/33/25/57/710332557.db2.gz XZMFRQWXDZHGIJ-LUKYLMHMSA-N 2 1 325.497 1.647 20 0 EDADMP Cc1nccc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001061279203 710419243 /nfs/dbraw/zinc/41/92/43/710419243.db2.gz DXIKYUABMKOESJ-VNQPRFMTSA-N 2 1 331.464 1.552 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC001003636616 710456817 /nfs/dbraw/zinc/45/68/17/710456817.db2.gz WWFKTGLZCWKHFE-GUYCJALGSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC001003636616 710456818 /nfs/dbraw/zinc/45/68/18/710456818.db2.gz WWFKTGLZCWKHFE-GUYCJALGSA-N 2 1 331.464 1.063 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001003627600 710457696 /nfs/dbraw/zinc/45/76/96/710457696.db2.gz HEVAWEYNKSGISS-HUUCEWRRSA-N 2 1 331.464 1.603 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003627600 710457698 /nfs/dbraw/zinc/45/76/98/710457698.db2.gz HEVAWEYNKSGISS-HUUCEWRRSA-N 2 1 331.464 1.603 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC001003632478 710459326 /nfs/dbraw/zinc/45/93/26/710459326.db2.gz AFZASPBIYPCUMT-CXAGYDPISA-N 2 1 331.464 1.063 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC001003632478 710459327 /nfs/dbraw/zinc/45/93/27/710459327.db2.gz AFZASPBIYPCUMT-CXAGYDPISA-N 2 1 331.464 1.063 20 0 EDADMP Cc1noc(CCC[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001003633719 710461573 /nfs/dbraw/zinc/46/15/73/710461573.db2.gz HOWFFKKMJCQKSG-CJNGLKHVSA-N 2 1 349.479 1.089 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CC3CCCC3)CC2)O1 ZINC001005580439 710610668 /nfs/dbraw/zinc/61/06/68/710610668.db2.gz FZKULAJCOSEERQ-CRAIPNDOSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CC3CCCC3)CC2)O1 ZINC001005580439 710610671 /nfs/dbraw/zinc/61/06/71/710610671.db2.gz FZKULAJCOSEERQ-CRAIPNDOSA-N 2 1 337.508 1.819 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CCN(Cc2cncn2C)CC1 ZINC001005593722 710640111 /nfs/dbraw/zinc/64/01/11/710640111.db2.gz TVWXNSRTRMTRMD-KRWDZBQOSA-N 2 1 333.480 1.327 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cncn2C)CC1 ZINC001005593722 710640115 /nfs/dbraw/zinc/64/01/15/710640115.db2.gz TVWXNSRTRMTRMD-KRWDZBQOSA-N 2 1 333.480 1.327 20 0 EDADMP Cc1nc(CN2CCC(N(C)C(=O)[C@H]3CCCCN3C)CC2)co1 ZINC001005591170 710647228 /nfs/dbraw/zinc/64/72/28/710647228.db2.gz FPVBMTQBFGAFRJ-QGZVFWFLSA-N 2 1 334.464 1.890 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](C)O)CC1 ZINC001034683667 710698565 /nfs/dbraw/zinc/69/85/65/710698565.db2.gz XLOYLRVJKWSWEZ-QAETUUGQSA-N 2 1 325.497 1.505 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2cnc(C)nc2)CC1 ZINC001034690918 710763456 /nfs/dbraw/zinc/76/34/56/710763456.db2.gz CULHJGOIEGHJKE-QAQDUYKDSA-N 2 1 342.447 1.507 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncs2)CC1 ZINC001034734838 710913765 /nfs/dbraw/zinc/91/37/65/710913765.db2.gz AIABRIQEKFZTJY-IHRRRGAJSA-N 2 1 337.493 1.539 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnns3)CC2)C1 ZINC001034734322 710916308 /nfs/dbraw/zinc/91/63/08/710916308.db2.gz NQGVQADSKAGZJY-MGPQQGTHSA-N 2 1 337.493 1.397 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001034734733 710917178 /nfs/dbraw/zinc/91/71/78/710917178.db2.gz WRYPEKBOTBVUOH-ZTFGCOKTSA-N 2 1 347.507 1.587 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC001034735452 710920598 /nfs/dbraw/zinc/92/05/98/710920598.db2.gz HMEMGLXWDNRHKP-MHORFTMASA-N 2 1 337.508 1.914 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC001034738215 710953651 /nfs/dbraw/zinc/95/36/51/710953651.db2.gz RMELSIBOQQVXOK-NBOOPKSLSA-N 2 1 330.476 1.796 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001032960133 710967332 /nfs/dbraw/zinc/96/73/32/710967332.db2.gz NSVLVSMWIRUVDQ-MSOLQXFVSA-N 2 1 331.460 1.306 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001032960133 710967337 /nfs/dbraw/zinc/96/73/37/710967337.db2.gz NSVLVSMWIRUVDQ-MSOLQXFVSA-N 2 1 331.460 1.306 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001032960133 710967343 /nfs/dbraw/zinc/96/73/43/710967343.db2.gz NSVLVSMWIRUVDQ-MSOLQXFVSA-N 2 1 331.460 1.306 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034791985 711118764 /nfs/dbraw/zinc/11/87/64/711118764.db2.gz BBJWVPGCWWKMFQ-RBSFLKMASA-N 2 1 349.479 1.662 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001034791985 711118767 /nfs/dbraw/zinc/11/87/67/711118767.db2.gz BBJWVPGCWWKMFQ-RBSFLKMASA-N 2 1 349.479 1.662 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034796283 711120769 /nfs/dbraw/zinc/12/07/69/711120769.db2.gz HHCPYKVZMDGEFS-JFIYKMOQSA-N 2 1 347.507 1.812 20 0 EDADMP CO[C@@H](C[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC001003972972 711127840 /nfs/dbraw/zinc/12/78/40/711127840.db2.gz CIVARKRUMFHVMN-QAPCUYQASA-N 2 1 337.508 1.724 20 0 EDADMP O=C(NCc1ccc(C[NH2+]CC2CC2)cc1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001034818182 711204377 /nfs/dbraw/zinc/20/43/77/711204377.db2.gz CWDJKGWDUVCHDO-OALUTQOASA-N 2 1 343.471 1.666 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001034881232 711281283 /nfs/dbraw/zinc/28/12/83/711281283.db2.gz DMIWLSFMFYCBPK-CABCVRRESA-N 2 1 336.867 1.910 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cncn1C ZINC001034935619 711362878 /nfs/dbraw/zinc/36/28/78/711362878.db2.gz AJQJUHYBFXDQDD-WBVHZDCISA-N 2 1 333.480 1.374 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccn(CC)n1 ZINC001034954395 711420453 /nfs/dbraw/zinc/42/04/53/711420453.db2.gz PGGDLQHKVKFLHS-MSOLQXFVSA-N 2 1 347.507 1.858 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncc(C2CC2)o1)C1CC1 ZINC001034958899 711433294 /nfs/dbraw/zinc/43/32/94/711433294.db2.gz OJWKXGUPADNTSX-QAPCUYQASA-N 2 1 346.475 1.973 20 0 EDADMP CCn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001034940278 711443363 /nfs/dbraw/zinc/44/33/63/711443363.db2.gz YYAXOQLVXQIADT-DJIMGWMZSA-N 2 1 333.480 1.324 20 0 EDADMP CCOC1CC(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001004153182 711550393 /nfs/dbraw/zinc/55/03/93/711550393.db2.gz XEELDFJQAHOGBX-UHFFFAOYSA-N 2 1 334.464 1.587 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123870 711852873 /nfs/dbraw/zinc/85/28/73/711852873.db2.gz SXRFURJYHUIAID-JSGCOSHPSA-N 2 1 325.478 1.337 20 0 EDADMP O=C(CCc1c[nH]cn1)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946615525 711853398 /nfs/dbraw/zinc/85/33/98/711853398.db2.gz MUILLSKRDRXQOI-YESZJQIVSA-N 2 1 346.475 1.549 20 0 EDADMP O=C(CCc1cnc[nH]1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946615525 711853399 /nfs/dbraw/zinc/85/33/99/711853399.db2.gz MUILLSKRDRXQOI-YESZJQIVSA-N 2 1 346.475 1.549 20 0 EDADMP O=C(CCc1cnc[nH]1)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946615525 711853400 /nfs/dbraw/zinc/85/34/00/711853400.db2.gz MUILLSKRDRXQOI-YESZJQIVSA-N 2 1 346.475 1.549 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001004521570 711920629 /nfs/dbraw/zinc/92/06/29/711920629.db2.gz LQWRVJOBKDHJIM-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001004521570 711920630 /nfs/dbraw/zinc/92/06/30/711920630.db2.gz LQWRVJOBKDHJIM-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001004521570 711920631 /nfs/dbraw/zinc/92/06/31/711920631.db2.gz LQWRVJOBKDHJIM-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001004521570 711920633 /nfs/dbraw/zinc/92/06/33/711920633.db2.gz LQWRVJOBKDHJIM-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004540029 711964663 /nfs/dbraw/zinc/96/46/63/711964663.db2.gz PDRRPRHVJZGXKK-ZWKOTPCHSA-N 2 1 339.524 1.922 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946631425 712017457 /nfs/dbraw/zinc/01/74/57/712017457.db2.gz GUUOAGZCICFJTQ-FGTMMUONSA-N 2 1 337.508 1.414 20 0 EDADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946631425 712017458 /nfs/dbraw/zinc/01/74/58/712017458.db2.gz GUUOAGZCICFJTQ-FGTMMUONSA-N 2 1 337.508 1.414 20 0 EDADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946631425 712017459 /nfs/dbraw/zinc/01/74/59/712017459.db2.gz GUUOAGZCICFJTQ-FGTMMUONSA-N 2 1 337.508 1.414 20 0 EDADMP O=C(N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1)C12CC[NH+](CC1)C2 ZINC001004600654 712044810 /nfs/dbraw/zinc/04/48/10/712044810.db2.gz GMNLFUKWGMQHBQ-QGZVFWFLSA-N 2 1 335.492 1.168 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000366636073 282129922 /nfs/dbraw/zinc/12/99/22/282129922.db2.gz MACRSGHCNLFSTK-QAPCUYQASA-N 2 1 340.512 1.395 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[NH2+]C[C@](C)(F)C1)C1CCCCC1 ZINC000417014558 282173689 /nfs/dbraw/zinc/17/36/89/282173689.db2.gz LEIRSUAYZLGOHG-RDJZCZTQSA-N 2 1 328.476 1.840 20 0 EDADMP C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000369439676 282226397 /nfs/dbraw/zinc/22/63/97/282226397.db2.gz WQQGTYPIAVTLCI-JQHSSLGASA-N 2 1 330.476 1.998 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]2C(=O)N(C)C[C@@H]21 ZINC000344255520 282250980 /nfs/dbraw/zinc/25/09/80/282250980.db2.gz MBQTZUFIDLAJQX-IRXDYDNUSA-N 2 1 325.416 1.628 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]2C(=O)N(C)C[C@@H]21 ZINC000344255520 282250982 /nfs/dbraw/zinc/25/09/82/282250982.db2.gz MBQTZUFIDLAJQX-IRXDYDNUSA-N 2 1 325.416 1.628 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354924792 282296231 /nfs/dbraw/zinc/29/62/31/282296231.db2.gz DVZGBTFDPAIPIO-LSDHHAIUSA-N 2 1 347.442 1.291 20 0 EDADMP C[N@H+](CCNC(=O)CCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000171677683 529913063 /nfs/dbraw/zinc/91/30/63/529913063.db2.gz XRLDHMNCPLIFIZ-UHFFFAOYSA-N 2 1 333.476 1.737 20 0 EDADMP C[N@@H+](CCNC(=O)CCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000171677683 529913065 /nfs/dbraw/zinc/91/30/65/529913065.db2.gz XRLDHMNCPLIFIZ-UHFFFAOYSA-N 2 1 333.476 1.737 20 0 EDADMP C[C@@H]1CN(CCO)CCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000560516005 306273034 /nfs/dbraw/zinc/27/30/34/306273034.db2.gz VUXQIQMATDSERA-NXHRZFHOSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000560516005 306273035 /nfs/dbraw/zinc/27/30/35/306273035.db2.gz VUXQIQMATDSERA-NXHRZFHOSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000560516005 306273036 /nfs/dbraw/zinc/27/30/36/306273036.db2.gz VUXQIQMATDSERA-NXHRZFHOSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000560516005 306273038 /nfs/dbraw/zinc/27/30/38/306273038.db2.gz VUXQIQMATDSERA-NXHRZFHOSA-N 2 1 346.475 1.140 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)[C@H]2CCC[C@@H]21 ZINC000560583949 306275078 /nfs/dbraw/zinc/27/50/78/306275078.db2.gz DOHNZMNTJPKICX-FZKCQIBNSA-N 2 1 329.510 1.263 20 0 EDADMP O=C(C[N@H+]1CC[C@H](Nc2ccccc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000102845555 219234571 /nfs/dbraw/zinc/23/45/71/219234571.db2.gz OIYZMQYWYCCSQR-SFHVURJKSA-N 2 1 342.487 1.916 20 0 EDADMP CC(C)[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000103302035 219287298 /nfs/dbraw/zinc/28/72/98/219287298.db2.gz SHYKLPKAUWPPKK-KRWDZBQOSA-N 2 1 340.512 1.374 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000152379662 539808343 /nfs/dbraw/zinc/80/83/43/539808343.db2.gz SIJBAIBDQKHDDE-SJORKVTESA-N 2 1 342.528 1.715 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000152379662 539808346 /nfs/dbraw/zinc/80/83/46/539808346.db2.gz SIJBAIBDQKHDDE-SJORKVTESA-N 2 1 342.528 1.715 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000104530950 219393346 /nfs/dbraw/zinc/39/33/46/219393346.db2.gz BAQBRCXTXQDEKO-UHFFFAOYSA-N 2 1 346.519 1.604 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000562809237 306310008 /nfs/dbraw/zinc/31/00/08/306310008.db2.gz HBASCXMYHOAIHM-BPQIPLTHSA-N 2 1 330.476 1.948 20 0 EDADMP O=C([C@H]1CSC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000563170601 306321507 /nfs/dbraw/zinc/32/15/07/306321507.db2.gz VKQVXMDTEMBKFZ-MRXNPFEDSA-N 2 1 349.504 1.245 20 0 EDADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000563208047 306323675 /nfs/dbraw/zinc/32/36/75/306323675.db2.gz VKAYLVWRLNITOR-HNONPPJISA-N 2 1 330.476 1.796 20 0 EDADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000563208047 306323676 /nfs/dbraw/zinc/32/36/76/306323676.db2.gz VKAYLVWRLNITOR-HNONPPJISA-N 2 1 330.476 1.796 20 0 EDADMP C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000163665806 540056128 /nfs/dbraw/zinc/05/61/28/540056128.db2.gz UUXYFIRPVWESJZ-WBVHZDCISA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000163665806 540056132 /nfs/dbraw/zinc/05/61/32/540056132.db2.gz UUXYFIRPVWESJZ-WBVHZDCISA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000187029457 540153087 /nfs/dbraw/zinc/15/30/87/540153087.db2.gz IZIRBYYCCSEGAM-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000187029457 540153089 /nfs/dbraw/zinc/15/30/89/540153089.db2.gz IZIRBYYCCSEGAM-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000187029457 540153091 /nfs/dbraw/zinc/15/30/91/540153091.db2.gz IZIRBYYCCSEGAM-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C1 ZINC000563381335 306330916 /nfs/dbraw/zinc/33/09/16/306330916.db2.gz RIZOFOXZUMSQIE-OAHLLOKOSA-N 2 1 345.491 1.892 20 0 EDADMP OC[C@H]1CCCCC[NH+]1CCOCC[N@@H+]1CCCCC[C@@H]1CO ZINC000653783862 452114295 /nfs/dbraw/zinc/11/42/95/452114295.db2.gz VOVVZRMNKDKSRL-QZTJIDSGSA-N 2 1 328.497 1.477 20 0 EDADMP CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357066160 283148502 /nfs/dbraw/zinc/14/85/02/283148502.db2.gz BTCPQVMPPCJENV-CYBMUJFWSA-N 2 1 339.402 1.475 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000413051792 304052657 /nfs/dbraw/zinc/05/26/57/304052657.db2.gz XOYOIOBMBHECKE-MRXNPFEDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000413051792 304052660 /nfs/dbraw/zinc/05/26/60/304052660.db2.gz XOYOIOBMBHECKE-MRXNPFEDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000349501027 295923270 /nfs/dbraw/zinc/92/32/70/295923270.db2.gz PVNCPKHPRFVAPH-QFBILLFUSA-N 2 1 325.460 1.792 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000563578537 306339528 /nfs/dbraw/zinc/33/95/28/306339528.db2.gz ACHDUQBIGSOTIZ-BPQIPLTHSA-N 2 1 346.475 1.581 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000364060886 283220114 /nfs/dbraw/zinc/22/01/14/283220114.db2.gz RTHMWVLMORDREW-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413844128 304080196 /nfs/dbraw/zinc/08/01/96/304080196.db2.gz LFSNDQUWGPCYHE-IXDOHACOSA-N 2 1 338.540 1.780 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000564551405 306360326 /nfs/dbraw/zinc/36/03/26/306360326.db2.gz XNNKCMAMAPJFOW-BHIYHBOVSA-N 2 1 344.503 1.848 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000414004218 304093867 /nfs/dbraw/zinc/09/38/67/304093867.db2.gz HGUKSFLBSFPWFO-GOSISDBHSA-N 2 1 330.476 1.258 20 0 EDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000565158081 306376404 /nfs/dbraw/zinc/37/64/04/306376404.db2.gz QNWMXCRUVUGKFZ-DLBZAZTESA-N 2 1 343.475 1.964 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000565158081 306376405 /nfs/dbraw/zinc/37/64/05/306376405.db2.gz QNWMXCRUVUGKFZ-DLBZAZTESA-N 2 1 343.475 1.964 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000565158081 306376406 /nfs/dbraw/zinc/37/64/06/306376406.db2.gz QNWMXCRUVUGKFZ-DLBZAZTESA-N 2 1 343.475 1.964 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000565158081 306376407 /nfs/dbraw/zinc/37/64/07/306376407.db2.gz QNWMXCRUVUGKFZ-DLBZAZTESA-N 2 1 343.475 1.964 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC2)[nH+]c1 ZINC000184957061 138799298 /nfs/dbraw/zinc/79/92/98/138799298.db2.gz HIMDKLPCVUMHJV-GVDBMIGSSA-N 2 1 328.460 1.802 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417580801 296026359 /nfs/dbraw/zinc/02/63/59/296026359.db2.gz GDLXJJGBYVILHN-CABCVRRESA-N 2 1 340.512 1.835 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000333891926 296028893 /nfs/dbraw/zinc/02/88/93/296028893.db2.gz HDLHSQREJDONTK-CVEARBPZSA-N 2 1 338.496 1.400 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841304 306393288 /nfs/dbraw/zinc/39/32/88/306393288.db2.gz RGOLRZRLZJSARU-JKSUJKDBSA-N 2 1 334.464 1.353 20 0 EDADMP CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841304 306393289 /nfs/dbraw/zinc/39/32/89/306393289.db2.gz RGOLRZRLZJSARU-JKSUJKDBSA-N 2 1 334.464 1.353 20 0 EDADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841304 306393290 /nfs/dbraw/zinc/39/32/90/306393290.db2.gz RGOLRZRLZJSARU-JKSUJKDBSA-N 2 1 334.464 1.353 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000414700983 304129927 /nfs/dbraw/zinc/12/99/27/304129927.db2.gz JVSGPQMFLVKRLH-KBPBESRZSA-N 2 1 332.448 1.635 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000414709993 304131395 /nfs/dbraw/zinc/13/13/95/304131395.db2.gz RHCLGGMKRJNPAK-RKVPGOIHSA-N 2 1 349.450 1.785 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000414746109 304136349 /nfs/dbraw/zinc/13/63/49/304136349.db2.gz QEEHNVVLSJFWQB-KBPBESRZSA-N 2 1 337.414 1.951 20 0 EDADMP COc1cc(NC(=O)C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc(OC)c1 ZINC000414760117 304137709 /nfs/dbraw/zinc/13/77/09/304137709.db2.gz XVIXJMHEJGWXPG-ZIAGYGMSSA-N 2 1 335.448 1.962 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000415021373 304151246 /nfs/dbraw/zinc/15/12/46/304151246.db2.gz ULTHKRMQDIQNKE-ZIAGYGMSSA-N 2 1 341.883 1.876 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000415028661 304152071 /nfs/dbraw/zinc/15/20/71/304152071.db2.gz CXCBBAHLPOIOOV-JGGQBBKZSA-N 2 1 330.432 1.197 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000415039405 304153459 /nfs/dbraw/zinc/15/34/59/304153459.db2.gz MWIMDCQKOHVDSK-CZUORRHYSA-N 2 1 332.448 1.334 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)c1 ZINC000415124828 304162044 /nfs/dbraw/zinc/16/20/44/304162044.db2.gz NJDCHUHKSBIICB-CQSZACIVSA-N 2 1 332.448 1.287 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000415137480 304163144 /nfs/dbraw/zinc/16/31/44/304163144.db2.gz JBTAYNJEGVDRGZ-HOTGVXAUSA-N 2 1 334.489 1.777 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000415137689 304163154 /nfs/dbraw/zinc/16/31/54/304163154.db2.gz JBTAYNJEGVDRGZ-HZPDHXFCSA-N 2 1 334.489 1.777 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415159773 304168020 /nfs/dbraw/zinc/16/80/20/304168020.db2.gz GYTGDAJYYNXBLR-ZBFHGGJFSA-N 2 1 330.432 1.027 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000236987956 139037201 /nfs/dbraw/zinc/03/72/01/139037201.db2.gz WHWURVPJTNNJPL-KDOFPFPSSA-N 2 1 346.475 1.315 20 0 EDADMP C[NH2+]CC1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000237048727 139039208 /nfs/dbraw/zinc/03/92/08/139039208.db2.gz VVRCGWPBNXIFDM-LJQANCHMSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH2+]CC1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000237048727 139039209 /nfs/dbraw/zinc/03/92/09/139039209.db2.gz VVRCGWPBNXIFDM-LJQANCHMSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@H](C)O1 ZINC000237665875 139057368 /nfs/dbraw/zinc/05/73/68/139057368.db2.gz OEGYQHZONLNTMV-JZXOWHBKSA-N 2 1 333.476 1.562 20 0 EDADMP CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000111660842 220177210 /nfs/dbraw/zinc/17/72/10/220177210.db2.gz CGIOHSUCUPAGQH-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000238062850 139067927 /nfs/dbraw/zinc/06/79/27/139067927.db2.gz CQSGMCNVPJTELF-DLBZAZTESA-N 2 1 333.501 1.862 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000111864804 220214616 /nfs/dbraw/zinc/21/46/16/220214616.db2.gz XHOCWNZRGAZPNU-QGZVFWFLSA-N 2 1 340.512 1.709 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000245446898 139075226 /nfs/dbraw/zinc/07/52/26/139075226.db2.gz LPECWKACPDWABQ-ZWKOTPCHSA-N 2 1 336.476 1.846 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000245446898 139075227 /nfs/dbraw/zinc/07/52/27/139075227.db2.gz LPECWKACPDWABQ-ZWKOTPCHSA-N 2 1 336.476 1.846 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000245446898 139075228 /nfs/dbraw/zinc/07/52/28/139075228.db2.gz LPECWKACPDWABQ-ZWKOTPCHSA-N 2 1 336.476 1.846 20 0 EDADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3C[NH+](C)CCO3)cc2)C1 ZINC000245460697 139075859 /nfs/dbraw/zinc/07/58/59/139075859.db2.gz MLMZHRSXODXDPO-VQIMIIECSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3C[NH+](C)CCO3)cc2)C1 ZINC000245460697 139075860 /nfs/dbraw/zinc/07/58/60/139075860.db2.gz MLMZHRSXODXDPO-VQIMIIECSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)CCO3)cc2)C1 ZINC000245460697 139075861 /nfs/dbraw/zinc/07/58/61/139075861.db2.gz MLMZHRSXODXDPO-VQIMIIECSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)C1 ZINC000245460697 139075862 /nfs/dbraw/zinc/07/58/62/139075862.db2.gz MLMZHRSXODXDPO-VQIMIIECSA-N 2 1 345.487 1.865 20 0 EDADMP OCC[C@@H]1CCCC[NH+]1CC1(C[N@@H+]2CCCC[C@H]2CCO)COC1 ZINC000245665504 139082434 /nfs/dbraw/zinc/08/24/34/139082434.db2.gz BEUMWTBYZCHUIB-ROUUACIJSA-N 2 1 340.508 1.477 20 0 EDADMP C[C@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000245876739 139088293 /nfs/dbraw/zinc/08/82/93/139088293.db2.gz HOMXSTQJRRNEAI-HZPDHXFCSA-N 2 1 348.491 1.872 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)C1 ZINC000415291782 304187242 /nfs/dbraw/zinc/18/72/42/304187242.db2.gz AJRAXXDTLDESDT-CYBMUJFWSA-N 2 1 338.839 1.160 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000246137928 139096334 /nfs/dbraw/zinc/09/63/34/139096334.db2.gz JIEZAOFZDLCAQS-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000246137928 139096335 /nfs/dbraw/zinc/09/63/35/139096335.db2.gz JIEZAOFZDLCAQS-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCCC[NH3+])cc2)C1 ZINC000415298689 304188649 /nfs/dbraw/zinc/18/86/49/304188649.db2.gz XLPNOAHEJUYHAA-AWEZNQCLSA-N 2 1 332.448 1.322 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000247048929 139133203 /nfs/dbraw/zinc/13/32/03/139133203.db2.gz NKCFPOXEAJJJCL-BRWVUGGUSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000248169396 139159146 /nfs/dbraw/zinc/15/91/46/139159146.db2.gz IUPYHHFHWFKORQ-SJLPKXTDSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000248169396 139159147 /nfs/dbraw/zinc/15/91/47/139159147.db2.gz IUPYHHFHWFKORQ-SJLPKXTDSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000248169396 139159148 /nfs/dbraw/zinc/15/91/48/139159148.db2.gz IUPYHHFHWFKORQ-SJLPKXTDSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000248169396 139159149 /nfs/dbraw/zinc/15/91/49/139159149.db2.gz IUPYHHFHWFKORQ-SJLPKXTDSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000248846065 139177406 /nfs/dbraw/zinc/17/74/06/139177406.db2.gz OGWDQVXMUFUGMD-VQIMIIECSA-N 2 1 342.487 1.997 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000248846065 139177407 /nfs/dbraw/zinc/17/74/07/139177407.db2.gz OGWDQVXMUFUGMD-VQIMIIECSA-N 2 1 342.487 1.997 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249173125 139188377 /nfs/dbraw/zinc/18/83/77/139188377.db2.gz XVKZLNOLWGFSKN-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249173125 139188378 /nfs/dbraw/zinc/18/83/78/139188378.db2.gz XVKZLNOLWGFSKN-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c2C1 ZINC000415418116 304219136 /nfs/dbraw/zinc/21/91/36/304219136.db2.gz NZLGMUJNLGEDHB-UONOGXRCSA-N 2 1 346.475 1.791 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550237 139208832 /nfs/dbraw/zinc/20/88/32/139208832.db2.gz LBNYZZZZCDBBKS-CGTJXYLNSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261561745 139209079 /nfs/dbraw/zinc/20/90/79/139209079.db2.gz VTDFAEBOGCCZIO-RYQLBKOJSA-N 2 1 331.460 1.392 20 0 EDADMP Clc1ccc(-c2noc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000261608862 139210627 /nfs/dbraw/zinc/21/06/27/139210627.db2.gz DGVWYTAEAXEZEB-OAHLLOKOSA-N 2 1 347.850 1.870 20 0 EDADMP Clc1ccc(-c2noc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000261608862 139210628 /nfs/dbraw/zinc/21/06/28/139210628.db2.gz DGVWYTAEAXEZEB-OAHLLOKOSA-N 2 1 347.850 1.870 20 0 EDADMP CC(C)n1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000261642088 139213780 /nfs/dbraw/zinc/21/37/80/139213780.db2.gz IOYOATRRWHVLSD-NVXWUHKLSA-N 2 1 333.480 1.544 20 0 EDADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261674551 139216352 /nfs/dbraw/zinc/21/63/52/139216352.db2.gz MCOMGOCVZMJFAN-LSDHHAIUSA-N 2 1 332.448 1.176 20 0 EDADMP Clc1cccc(-c2noc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000261711760 139219668 /nfs/dbraw/zinc/21/96/68/139219668.db2.gz PSURQNQCVNBQES-OAHLLOKOSA-N 2 1 347.850 1.870 20 0 EDADMP Clc1cccc(-c2noc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000261711760 139219669 /nfs/dbraw/zinc/21/96/69/139219669.db2.gz PSURQNQCVNBQES-OAHLLOKOSA-N 2 1 347.850 1.870 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261820582 139228999 /nfs/dbraw/zinc/22/89/99/139228999.db2.gz PJUMIPQEUGFWLB-VUCTXSBTSA-N 2 1 328.416 1.864 20 0 EDADMP Cc1ccc2ncc(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])n2c1 ZINC000261977930 139241352 /nfs/dbraw/zinc/24/13/52/139241352.db2.gz IYIHKONYUPKSGO-HNNXBMFYSA-N 2 1 329.448 1.462 20 0 EDADMP Cc1ccc2ncc(C[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])n2c1 ZINC000261977930 139241353 /nfs/dbraw/zinc/24/13/53/139241353.db2.gz IYIHKONYUPKSGO-HNNXBMFYSA-N 2 1 329.448 1.462 20 0 EDADMP C[C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000262109374 139251587 /nfs/dbraw/zinc/25/15/87/139251587.db2.gz FHEUTJKVSHMXLX-HZPDHXFCSA-N 2 1 333.480 1.198 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262129588 139253420 /nfs/dbraw/zinc/25/34/20/139253420.db2.gz GKEHTBKEZXIQNX-IRXDYDNUSA-N 2 1 337.508 1.855 20 0 EDADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000262137586 139254104 /nfs/dbraw/zinc/25/41/04/139254104.db2.gz MDIOMAMGSCUEEH-LBPRGKRZSA-N 2 1 325.840 1.636 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000416830424 251111492 /nfs/dbraw/zinc/11/14/92/251111492.db2.gz GYRFGNYRZJZZLL-NVXWUHKLSA-N 2 1 348.491 1.939 20 0 EDADMP C[C@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)[N@H+]1CCC[C@H](C)C1 ZINC000417023789 251136727 /nfs/dbraw/zinc/13/67/27/251136727.db2.gz WQDHKRSGFNBUKE-JKSUJKDBSA-N 2 1 340.512 1.646 20 0 EDADMP C[N@@H+](CCCNC(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000417004481 251126461 /nfs/dbraw/zinc/12/64/61/251126461.db2.gz CIXVGLRFMSTOEG-INIZCTEOSA-N 2 1 326.485 1.319 20 0 EDADMP C[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000417306831 251154977 /nfs/dbraw/zinc/15/49/77/251154977.db2.gz AVABQJLUVXKHQE-HNNXBMFYSA-N 2 1 330.476 1.814 20 0 EDADMP COCC[NH2+]CCNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000417319020 251158179 /nfs/dbraw/zinc/15/81/79/251158179.db2.gz MVWQMEZDWAAZRF-SFHVURJKSA-N 2 1 348.491 1.576 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N1C[C@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000417518866 251182308 /nfs/dbraw/zinc/18/23/08/251182308.db2.gz TXXUXIWQKCQZBD-JQHSSLGASA-N 2 1 348.491 1.685 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)NCC[NH2+]C)CC2)cs1 ZINC000417596182 251201843 /nfs/dbraw/zinc/20/18/43/251201843.db2.gz KTWPHGPEMHBTII-UHFFFAOYSA-N 2 1 339.509 1.436 20 0 EDADMP COCC[NH2+]CCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000417646866 251212316 /nfs/dbraw/zinc/21/23/16/251212316.db2.gz DSVPLCGUFBIFDE-KRWDZBQOSA-N 2 1 334.464 1.186 20 0 EDADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262436258 139278789 /nfs/dbraw/zinc/27/87/89/139278789.db2.gz CFXATPBYZZYZMS-OWCLPIDISA-N 2 1 337.851 1.316 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)[nH+]1 ZINC000417707156 251235322 /nfs/dbraw/zinc/23/53/22/251235322.db2.gz WYRLIPUEZWIWRC-CJNGLKHVSA-N 2 1 331.464 1.656 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000262453667 139279997 /nfs/dbraw/zinc/27/99/97/139279997.db2.gz UYLOQALSVBLKAL-DDBAPUKQSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417726910 251244480 /nfs/dbraw/zinc/24/44/80/251244480.db2.gz IHRVRFPJXWYLGW-PMPSAXMXSA-N 2 1 333.480 1.232 20 0 EDADMP [NH3+]C[C@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1 ZINC000417840436 251293328 /nfs/dbraw/zinc/29/33/28/251293328.db2.gz OHYFFTQMCQCPSE-ABHNRTSZSA-N 2 1 348.466 1.201 20 0 EDADMP CC[NH2+]CCNC(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417882347 251313236 /nfs/dbraw/zinc/31/32/36/251313236.db2.gz DSAWYLFRQLVSMA-QZTJIDSGSA-N 2 1 348.491 1.575 20 0 EDADMP CC[NH2+]CCNC(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417882347 251313240 /nfs/dbraw/zinc/31/32/40/251313240.db2.gz DSAWYLFRQLVSMA-QZTJIDSGSA-N 2 1 348.491 1.575 20 0 EDADMP CO[C@@H]1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000418105076 251322753 /nfs/dbraw/zinc/32/27/53/251322753.db2.gz YZPMYLWTOQMWQZ-RBSFLKMASA-N 2 1 326.485 1.255 20 0 EDADMP Cc1cc(CNC(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc(N2CCCC2)[nH+]1 ZINC000418195890 251353233 /nfs/dbraw/zinc/35/32/33/251353233.db2.gz GTXMIHKBUJQTTB-CVEARBPZSA-N 2 1 331.464 1.917 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCNC[C@H]1c1cccnc1 ZINC000418201815 251356077 /nfs/dbraw/zinc/35/60/77/251356077.db2.gz SPTYAKZSOFIHBG-RDJZCZTQSA-N 2 1 333.480 1.858 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000418201815 251356083 /nfs/dbraw/zinc/35/60/83/251356083.db2.gz SPTYAKZSOFIHBG-RDJZCZTQSA-N 2 1 333.480 1.858 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000418201815 251356086 /nfs/dbraw/zinc/35/60/86/251356086.db2.gz SPTYAKZSOFIHBG-RDJZCZTQSA-N 2 1 333.480 1.858 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418721334 251397079 /nfs/dbraw/zinc/39/70/79/251397079.db2.gz WUASBTUJVTUILU-QWHCGFSZSA-N 2 1 342.390 1.334 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000262642370 139292626 /nfs/dbraw/zinc/29/26/26/139292626.db2.gz JFOGYBCQFJZZNS-GOEBONIOSA-N 2 1 330.432 1.217 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000262642370 139292627 /nfs/dbraw/zinc/29/26/27/139292627.db2.gz JFOGYBCQFJZZNS-GOEBONIOSA-N 2 1 330.432 1.217 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000262682116 139295947 /nfs/dbraw/zinc/29/59/47/139295947.db2.gz YEVPURVTNHRGOF-SZMVWBNQSA-N 2 1 333.476 1.796 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262788453 139303659 /nfs/dbraw/zinc/30/36/59/139303659.db2.gz NXPPZZSYKLRQBS-PMPSAXMXSA-N 2 1 331.464 1.506 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cc2)CC1 ZINC000422884019 252009534 /nfs/dbraw/zinc/00/95/34/252009534.db2.gz RIANRLSEGIDEGV-UHFFFAOYSA-N 3 1 344.503 1.681 20 0 EDADMP COc1cccc(COCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423004933 252024773 /nfs/dbraw/zinc/02/47/73/252024773.db2.gz QISGKTUIVWWLJT-IPMKNSEASA-N 2 1 334.460 1.959 20 0 EDADMP C[C@@H](CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000423790038 252076038 /nfs/dbraw/zinc/07/60/38/252076038.db2.gz GAYUSYUCOPFSTF-IRXDYDNUSA-N 2 1 339.524 1.829 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCC4(CC[NH2+]4)CC3)cc2)CC1 ZINC000424051157 252125582 /nfs/dbraw/zinc/12/55/82/252125582.db2.gz IBOLNHFNDPAUCH-UHFFFAOYSA-N 2 1 342.487 1.402 20 0 EDADMP Cn1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424132960 252136286 /nfs/dbraw/zinc/13/62/86/252136286.db2.gz LNGQWROAQDFFHA-BMFZPTHFSA-N 2 1 331.464 1.244 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC[N@H+]1C[C@@H](C)O ZINC000424440442 252231973 /nfs/dbraw/zinc/23/19/73/252231973.db2.gz UNWRFFNQMRZZBZ-PBHICJAKSA-N 2 1 334.464 1.763 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000349938966 285058388 /nfs/dbraw/zinc/05/83/88/285058388.db2.gz VSZPYYNYRURAHU-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000349933636 285059018 /nfs/dbraw/zinc/05/90/18/285059018.db2.gz LUBIPIHZNORTBK-XHSDSOJGSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000349933636 285059025 /nfs/dbraw/zinc/05/90/25/285059025.db2.gz LUBIPIHZNORTBK-XHSDSOJGSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000349933636 285059028 /nfs/dbraw/zinc/05/90/28/285059028.db2.gz LUBIPIHZNORTBK-XHSDSOJGSA-N 2 1 326.485 1.127 20 0 EDADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263220493 139329077 /nfs/dbraw/zinc/32/90/77/139329077.db2.gz LUAAVBVWBMXREV-CRAIPNDOSA-N 2 1 348.878 1.872 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000248438651 285202143 /nfs/dbraw/zinc/20/21/43/285202143.db2.gz HZYGHIKGHLNVKP-MOPGFXCFSA-N 2 1 345.487 1.744 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248438651 285202144 /nfs/dbraw/zinc/20/21/44/285202144.db2.gz HZYGHIKGHLNVKP-MOPGFXCFSA-N 2 1 345.487 1.744 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248438651 285202147 /nfs/dbraw/zinc/20/21/47/285202147.db2.gz HZYGHIKGHLNVKP-MOPGFXCFSA-N 2 1 345.487 1.744 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000458435457 254923607 /nfs/dbraw/zinc/92/36/07/254923607.db2.gz YVURIVUGQOBDFG-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP OC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000368693830 285238435 /nfs/dbraw/zinc/23/84/35/285238435.db2.gz UZOHQPGOSUEHNR-OALUTQOASA-N 2 1 330.472 1.982 20 0 EDADMP OC1(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000368693830 285238436 /nfs/dbraw/zinc/23/84/36/285238436.db2.gz UZOHQPGOSUEHNR-OALUTQOASA-N 2 1 330.472 1.982 20 0 EDADMP OC1(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000368693830 285238439 /nfs/dbraw/zinc/23/84/39/285238439.db2.gz UZOHQPGOSUEHNR-OALUTQOASA-N 2 1 330.472 1.982 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C/C2CCOCC2)CC1 ZINC000491889147 255154231 /nfs/dbraw/zinc/15/42/31/255154231.db2.gz XWSFJGZHPIMFLT-NSCUHMNNSA-N 2 1 330.432 1.755 20 0 EDADMP COC(=O)N1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000493499523 255212454 /nfs/dbraw/zinc/21/24/54/255212454.db2.gz OLDWPVDQPSOOGS-LJQANCHMSA-N 2 1 347.459 1.444 20 0 EDADMP COC(=O)N1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000493499523 255212455 /nfs/dbraw/zinc/21/24/55/255212455.db2.gz OLDWPVDQPSOOGS-LJQANCHMSA-N 2 1 347.459 1.444 20 0 EDADMP C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000493502394 255212686 /nfs/dbraw/zinc/21/26/86/255212686.db2.gz LOLAKDRCDURWQL-ICSRJNTNSA-N 2 1 345.487 1.472 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000495334781 255281412 /nfs/dbraw/zinc/28/14/12/255281412.db2.gz BONFJROAYNYOMH-ZBFHGGJFSA-N 2 1 327.388 1.506 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000496306951 255378445 /nfs/dbraw/zinc/37/84/45/255378445.db2.gz KNSNIBNQADYUQG-MGPQQGTHSA-N 2 1 341.500 1.886 20 0 EDADMP CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000496242792 255369553 /nfs/dbraw/zinc/36/95/53/255369553.db2.gz HCVAOXAHBSRPJV-XJKSGUPXSA-N 2 1 327.469 1.288 20 0 EDADMP CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000496242792 255369554 /nfs/dbraw/zinc/36/95/54/255369554.db2.gz HCVAOXAHBSRPJV-XJKSGUPXSA-N 2 1 327.469 1.288 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415799746 304274273 /nfs/dbraw/zinc/27/42/73/304274273.db2.gz DMSVNJIVYIGBHB-ZJUUUORDSA-N 2 1 326.828 1.192 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1c(C)nn(C)c1C ZINC000337568375 285276560 /nfs/dbraw/zinc/27/65/60/285276560.db2.gz BGMKXMFEAKQTET-KRWDZBQOSA-N 2 1 349.523 1.454 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000179708766 285316093 /nfs/dbraw/zinc/31/60/93/285316093.db2.gz RXUBXJCHYIQZPG-GOSISDBHSA-N 2 1 346.519 1.651 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000179708766 285316095 /nfs/dbraw/zinc/31/60/95/285316095.db2.gz RXUBXJCHYIQZPG-GOSISDBHSA-N 2 1 346.519 1.651 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000179708766 285316097 /nfs/dbraw/zinc/31/60/97/285316097.db2.gz RXUBXJCHYIQZPG-GOSISDBHSA-N 2 1 346.519 1.651 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000119097098 221243348 /nfs/dbraw/zinc/24/33/48/221243348.db2.gz NQOVFTYSCVDQQC-YJBOKZPZSA-N 2 1 342.487 1.969 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000119097098 221243351 /nfs/dbraw/zinc/24/33/51/221243351.db2.gz NQOVFTYSCVDQQC-YJBOKZPZSA-N 2 1 342.487 1.969 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCC[N@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000119097098 221243354 /nfs/dbraw/zinc/24/33/54/221243354.db2.gz NQOVFTYSCVDQQC-YJBOKZPZSA-N 2 1 342.487 1.969 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000155099387 224358778 /nfs/dbraw/zinc/35/87/78/224358778.db2.gz XBYYUNIZEQCAGU-SJLPKXTDSA-N 2 1 348.491 1.557 20 0 EDADMP Cc1cccc(NC(=O)C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000264277175 139392711 /nfs/dbraw/zinc/39/27/11/139392711.db2.gz DUOPLDMGFKMABY-MRXNPFEDSA-N 2 1 333.476 1.958 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N(C)CC[NH3+])cc2)C1 ZINC000415879524 304283606 /nfs/dbraw/zinc/28/36/06/304283606.db2.gz POUINFJVDVIPTH-CQSZACIVSA-N 2 1 332.448 1.274 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000415928520 304286063 /nfs/dbraw/zinc/28/60/63/304286063.db2.gz FQTRMZDFYIOAJO-KRWDZBQOSA-N 2 1 334.464 1.764 20 0 EDADMP CN(c1ccccc1C[N@H+]1CC[C@H](NC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000271398690 140290597 /nfs/dbraw/zinc/29/05/97/140290597.db2.gz VHOBVTXUSXGLIK-INIZCTEOSA-N 2 1 345.491 1.460 20 0 EDADMP COc1cc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)ccc1OCC[NH+](C)C ZINC000416334698 304310707 /nfs/dbraw/zinc/31/07/07/304310707.db2.gz RGFOWDUGMROJAT-ZFWWWQNUSA-N 2 1 335.448 1.772 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000331599060 141054717 /nfs/dbraw/zinc/05/47/17/141054717.db2.gz IFORQHRSVYFHMW-IYBDPMFKSA-N 2 1 348.491 1.929 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000331599060 141054718 /nfs/dbraw/zinc/05/47/18/141054718.db2.gz IFORQHRSVYFHMW-IYBDPMFKSA-N 2 1 348.491 1.929 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc(N2CCCC2)[nH+]1 ZINC000332173079 141134895 /nfs/dbraw/zinc/13/48/95/141134895.db2.gz QPUMAEOOGUIFIP-BBRMVZONSA-N 2 1 331.464 1.869 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000333405720 141312800 /nfs/dbraw/zinc/31/28/00/141312800.db2.gz GCRLVXVZHJRXQX-HUUCEWRRSA-N 2 1 344.463 1.825 20 0 EDADMP Cc1cc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cn2cc[nH+]c12 ZINC000333721004 141366086 /nfs/dbraw/zinc/36/60/86/141366086.db2.gz VFOMEHGSWWQZFT-LSDHHAIUSA-N 2 1 329.404 1.580 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[NH2+]1 ZINC000333772943 141378333 /nfs/dbraw/zinc/37/83/33/141378333.db2.gz CIYBAINUEQOTNO-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP c1nc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)n(-c2ccccc2)n1 ZINC000333812547 141386029 /nfs/dbraw/zinc/38/60/29/141386029.db2.gz FWBGROHLHBGMFY-SJORKVTESA-N 2 1 339.443 1.468 20 0 EDADMP c1nc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)n(-c2ccccc2)n1 ZINC000333812547 141386031 /nfs/dbraw/zinc/38/60/31/141386031.db2.gz FWBGROHLHBGMFY-SJORKVTESA-N 2 1 339.443 1.468 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000339742852 142141279 /nfs/dbraw/zinc/14/12/79/142141279.db2.gz LMSKEQOZUJAVQP-HNNXBMFYSA-N 2 1 348.491 1.211 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCC[NH+](CC)CC)CC[N@H+]1C[C@H](C)O ZINC000345307638 143076031 /nfs/dbraw/zinc/07/60/31/143076031.db2.gz ALHLWQCMNKEPIG-JKSUJKDBSA-N 2 1 328.501 1.205 20 0 EDADMP CC[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[N@H+]1CCc2ccccc2C1 ZINC000345694595 143122380 /nfs/dbraw/zinc/12/23/80/143122380.db2.gz ACMXYMZJCLXDFZ-GJZGRUSLSA-N 2 1 325.403 1.922 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000345774363 143131925 /nfs/dbraw/zinc/13/19/25/143131925.db2.gz QVDBQUPSVWGZRP-UHFFFAOYSA-N 2 1 334.420 1.080 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000346211177 143179251 /nfs/dbraw/zinc/17/92/51/143179251.db2.gz BSSQOJPFNQVYIW-CVEARBPZSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000346211177 143179252 /nfs/dbraw/zinc/17/92/52/143179252.db2.gz BSSQOJPFNQVYIW-CVEARBPZSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000346211177 143179253 /nfs/dbraw/zinc/17/92/53/143179253.db2.gz BSSQOJPFNQVYIW-CVEARBPZSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1ccc([C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[NH+](C)C)cc1 ZINC000346282822 143186665 /nfs/dbraw/zinc/18/66/65/143186665.db2.gz NAZXHBFKHRGXDP-ZWKOTPCHSA-N 2 1 333.476 1.823 20 0 EDADMP COC1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC[NH2+]CC1 ZINC000178662769 292094071 /nfs/dbraw/zinc/09/40/71/292094071.db2.gz FKHNVHFUSSCXSV-HNNXBMFYSA-N 2 1 339.867 1.828 20 0 EDADMP COC(=O)[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000346615330 143222345 /nfs/dbraw/zinc/22/23/45/143222345.db2.gz JDHSFHZBXGFIJH-TUVASFSCSA-N 2 1 326.437 1.143 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000346615330 143222346 /nfs/dbraw/zinc/22/23/46/143222346.db2.gz JDHSFHZBXGFIJH-TUVASFSCSA-N 2 1 326.437 1.143 20 0 EDADMP COC(=O)[C@@H]1CC[N@H+](CCC[NH+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000346615330 143222347 /nfs/dbraw/zinc/22/23/47/143222347.db2.gz JDHSFHZBXGFIJH-TUVASFSCSA-N 2 1 326.437 1.143 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000346742862 143240510 /nfs/dbraw/zinc/24/05/10/143240510.db2.gz VJMBMMYOUZQRNP-YOEHRIQHSA-N 2 1 330.436 1.267 20 0 EDADMP CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000346954291 143265622 /nfs/dbraw/zinc/26/56/22/143265622.db2.gz AVHZQDGOKRGDJO-CABCVRRESA-N 2 1 337.468 1.284 20 0 EDADMP CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000346954291 143265623 /nfs/dbraw/zinc/26/56/23/143265623.db2.gz AVHZQDGOKRGDJO-CABCVRRESA-N 2 1 337.468 1.284 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1C ZINC000347112804 143284123 /nfs/dbraw/zinc/28/41/23/143284123.db2.gz RUTYSNIXGHEGEW-QGZVFWFLSA-N 2 1 331.460 1.647 20 0 EDADMP Cn1c(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)nc2cc(Cl)ccc21 ZINC000347129927 143285881 /nfs/dbraw/zinc/28/58/81/143285881.db2.gz QEPLERWXXRFSAP-LBPRGKRZSA-N 2 1 349.866 1.514 20 0 EDADMP Cn1c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)nc2cc(Cl)ccc21 ZINC000347129927 143285882 /nfs/dbraw/zinc/28/58/82/143285882.db2.gz QEPLERWXXRFSAP-LBPRGKRZSA-N 2 1 349.866 1.514 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(OC)c1 ZINC000347160175 143289257 /nfs/dbraw/zinc/28/92/57/143289257.db2.gz GUCNYJNFAUUHBQ-MRXNPFEDSA-N 2 1 347.459 1.348 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000347668375 143347465 /nfs/dbraw/zinc/34/74/65/143347465.db2.gz CUKFCHPUOXBNQO-DLBZAZTESA-N 2 1 339.524 1.972 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N2CC[NH+](CC)CC2)C12CCCC2 ZINC000347695882 143350854 /nfs/dbraw/zinc/35/08/54/143350854.db2.gz ATYARGYVQWGFCH-GVDBMIGSSA-N 2 1 337.508 1.866 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000416843001 304351085 /nfs/dbraw/zinc/35/10/85/304351085.db2.gz OFLJBRRCFZBJFZ-KZNAEPCWSA-N 2 1 328.460 1.512 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])CC(C)C)[C@@H](C)C1 ZINC000417669632 286060545 /nfs/dbraw/zinc/06/05/45/286060545.db2.gz MIZVSRGOYKMADO-BBWFWOEESA-N 2 1 342.528 1.796 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCO[C@H](C)C3)CC2)C1 ZINC000352691094 149118317 /nfs/dbraw/zinc/11/83/17/149118317.db2.gz IRHLXZMAOFIXGP-GUDVDZBRSA-N 2 1 339.524 1.528 20 0 EDADMP c1ccc(N2CCOCC2)c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000352695510 149119920 /nfs/dbraw/zinc/11/99/20/149119920.db2.gz WNVHHXPEEHYVOS-SFHVURJKSA-N 2 1 330.476 1.003 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C[N@H+]1C ZINC000352780199 149162912 /nfs/dbraw/zinc/16/29/12/149162912.db2.gz OEAAOEZPNQNRQR-MSOLQXFVSA-N 2 1 344.503 1.750 20 0 EDADMP C[C@H](CNC(=O)NCC[N@@H+]1CC=CCC1)[NH+]1CCc2ccccc2C1 ZINC000353415447 149396282 /nfs/dbraw/zinc/39/62/82/149396282.db2.gz PIPDNDRURIICTO-QGZVFWFLSA-N 2 1 342.487 1.994 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CC=CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000353415447 149396285 /nfs/dbraw/zinc/39/62/85/149396285.db2.gz PIPDNDRURIICTO-QGZVFWFLSA-N 2 1 342.487 1.994 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CC=CCC1)[N@H+]1CCc2ccccc2C1 ZINC000353415447 149396288 /nfs/dbraw/zinc/39/62/88/149396288.db2.gz PIPDNDRURIICTO-QGZVFWFLSA-N 2 1 342.487 1.994 20 0 EDADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CC[NH+](CCC(=O)N(C)C)CC3)C[C@H]2C1 ZINC000424316488 286114819 /nfs/dbraw/zinc/11/48/19/286114819.db2.gz QEMQKPYFMKESDO-JQKHNHIHSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000354924002 150034363 /nfs/dbraw/zinc/03/43/63/150034363.db2.gz RKKVNLZVHNNVDQ-ZBFHGGJFSA-N 2 1 334.464 1.312 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000355413647 150258297 /nfs/dbraw/zinc/25/82/97/150258297.db2.gz FNGNLCUAFQULPT-MRXNPFEDSA-N 2 1 348.491 1.863 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000355581763 150323089 /nfs/dbraw/zinc/32/30/89/150323089.db2.gz ZWCMVNBUVVQOCS-MJGOQNOKSA-N 2 1 342.487 1.328 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000355581763 150323092 /nfs/dbraw/zinc/32/30/92/150323092.db2.gz ZWCMVNBUVVQOCS-MJGOQNOKSA-N 2 1 342.487 1.328 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000355658476 150352831 /nfs/dbraw/zinc/35/28/31/150352831.db2.gz KVBVMAPLBMNVCK-LSDHHAIUSA-N 2 1 348.491 1.865 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000355658476 150352834 /nfs/dbraw/zinc/35/28/34/150352834.db2.gz KVBVMAPLBMNVCK-LSDHHAIUSA-N 2 1 348.491 1.865 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417034571 304363677 /nfs/dbraw/zinc/36/36/77/304363677.db2.gz GCFJZVOCZFVHBT-DLBZAZTESA-N 2 1 339.528 1.173 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000417037023 304363944 /nfs/dbraw/zinc/36/39/44/304363944.db2.gz ICQUMKNYJYWCOT-SFHVURJKSA-N 2 1 347.507 1.403 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417038030 304364568 /nfs/dbraw/zinc/36/45/68/304364568.db2.gz UHWNQLVJEVQEAU-MOPGFXCFSA-N 2 1 342.487 1.686 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417039892 304364958 /nfs/dbraw/zinc/36/49/58/304364958.db2.gz KQHWULKSTGWSRR-HOTGVXAUSA-N 2 1 333.480 1.091 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417042329 304365302 /nfs/dbraw/zinc/36/53/02/304365302.db2.gz NRYASKMJZVBZEO-HOTGVXAUSA-N 2 1 333.480 1.104 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000417050398 304367048 /nfs/dbraw/zinc/36/70/48/304367048.db2.gz WXWYEALGMIBYOI-DLBZAZTESA-N 2 1 339.528 1.315 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000357636514 151095213 /nfs/dbraw/zinc/09/52/13/151095213.db2.gz NGIAAQOEMKOCGH-CQSZACIVSA-N 2 1 337.439 1.931 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000357636514 151095215 /nfs/dbraw/zinc/09/52/15/151095215.db2.gz NGIAAQOEMKOCGH-CQSZACIVSA-N 2 1 337.439 1.931 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000357773714 151147732 /nfs/dbraw/zinc/14/77/32/151147732.db2.gz HUEXZVTVWKTFHA-XHSDSOJGSA-N 2 1 328.501 1.515 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000357959299 151211150 /nfs/dbraw/zinc/21/11/50/151211150.db2.gz PBAVMBLGTFNIJC-HZPDHXFCSA-N 2 1 327.517 1.042 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000357959299 151211156 /nfs/dbraw/zinc/21/11/56/151211156.db2.gz PBAVMBLGTFNIJC-HZPDHXFCSA-N 2 1 327.517 1.042 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000357959299 151211158 /nfs/dbraw/zinc/21/11/58/151211158.db2.gz PBAVMBLGTFNIJC-HZPDHXFCSA-N 2 1 327.517 1.042 20 0 EDADMP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NCC(=O)c1ccccc1 ZINC000358034906 151242023 /nfs/dbraw/zinc/24/20/23/151242023.db2.gz MUUDZIPFPLPMAI-KRWDZBQOSA-N 2 1 343.471 1.793 20 0 EDADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NCC(=O)c1ccccc1 ZINC000358034906 151242025 /nfs/dbraw/zinc/24/20/25/151242025.db2.gz MUUDZIPFPLPMAI-KRWDZBQOSA-N 2 1 343.471 1.793 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000358135938 151285106 /nfs/dbraw/zinc/28/51/06/151285106.db2.gz KWHIWFRPXROGNZ-INIZCTEOSA-N 2 1 342.528 1.904 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000358172745 151295442 /nfs/dbraw/zinc/29/54/42/151295442.db2.gz URVSICFWQAALCH-IBGZPJMESA-N 2 1 327.428 1.817 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000358172745 151295445 /nfs/dbraw/zinc/29/54/45/151295445.db2.gz URVSICFWQAALCH-IBGZPJMESA-N 2 1 327.428 1.817 20 0 EDADMP C[C@H](NC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1)C1=CC[NH+](C)CC1 ZINC000360435663 152040895 /nfs/dbraw/zinc/04/08/95/152040895.db2.gz HBQYXKLNOYDBFR-HNNXBMFYSA-N 2 1 345.491 1.492 20 0 EDADMP C[C@H](NC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1)C1=CC[NH+](C)CC1 ZINC000360435663 152040896 /nfs/dbraw/zinc/04/08/96/152040896.db2.gz HBQYXKLNOYDBFR-HNNXBMFYSA-N 2 1 345.491 1.492 20 0 EDADMP C[C@H](NC(=O)C(C)(C)C[NH+]1CCn2ccnc2C1)C1=CC[N@H+](C)CC1 ZINC000360435663 152040898 /nfs/dbraw/zinc/04/08/98/152040898.db2.gz HBQYXKLNOYDBFR-HNNXBMFYSA-N 2 1 345.491 1.492 20 0 EDADMP C[C@H](NC(=O)C(C)(C)C[NH+]1CCn2ccnc2C1)C1=CC[N@@H+](C)CC1 ZINC000360435663 152040900 /nfs/dbraw/zinc/04/09/00/152040900.db2.gz HBQYXKLNOYDBFR-HNNXBMFYSA-N 2 1 345.491 1.492 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(CCOC(C)C)CC1 ZINC000360795685 152208405 /nfs/dbraw/zinc/20/84/05/152208405.db2.gz FDLJGIIYINAONU-QGZVFWFLSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000360795685 152208408 /nfs/dbraw/zinc/20/84/08/152208408.db2.gz FDLJGIIYINAONU-QGZVFWFLSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000360795685 152208411 /nfs/dbraw/zinc/20/84/11/152208411.db2.gz FDLJGIIYINAONU-QGZVFWFLSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000360795687 152208622 /nfs/dbraw/zinc/20/86/22/152208622.db2.gz FDUMBIYUXOJJOK-MRXNPFEDSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000360795687 152208623 /nfs/dbraw/zinc/20/86/23/152208623.db2.gz FDUMBIYUXOJJOK-MRXNPFEDSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000360795687 152208628 /nfs/dbraw/zinc/20/86/28/152208628.db2.gz FDUMBIYUXOJJOK-MRXNPFEDSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000360795687 152208631 /nfs/dbraw/zinc/20/86/31/152208631.db2.gz FDUMBIYUXOJJOK-MRXNPFEDSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000360795687 152208634 /nfs/dbraw/zinc/20/86/34/152208634.db2.gz FDUMBIYUXOJJOK-MRXNPFEDSA-N 2 1 342.528 1.859 20 0 EDADMP O=C(NCCCCNc1ccccn1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000361289696 152354134 /nfs/dbraw/zinc/35/41/34/152354134.db2.gz WMPHUOSCJMCYLO-HZPDHXFCSA-N 2 1 347.463 1.436 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000362772200 152809539 /nfs/dbraw/zinc/80/95/39/152809539.db2.gz DYTJSIYPPYSUAU-LPHOPBHVSA-N 2 1 345.487 1.975 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000363746253 153044659 /nfs/dbraw/zinc/04/46/59/153044659.db2.gz CINDUIIIWONFQK-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000363746253 153044663 /nfs/dbraw/zinc/04/46/63/153044663.db2.gz CINDUIIIWONFQK-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP COC1CCC([NH2+]Cc2c(C)nn(C)c2N2CCC[N@@H+](C)CC2)CC1 ZINC000363860473 153077607 /nfs/dbraw/zinc/07/76/07/153077607.db2.gz LNEWSKRKUSAIIL-UHFFFAOYSA-N 2 1 349.523 1.918 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000364176634 153163620 /nfs/dbraw/zinc/16/36/20/153163620.db2.gz XFUHEGQKAXRSOD-ZACQAIPSSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@H+]1CCCC1CCOCC1 ZINC000364244655 153185191 /nfs/dbraw/zinc/18/51/91/153185191.db2.gz ZELDLYLYVYVOCE-HKUYNNGSSA-N 2 1 339.524 1.530 20 0 EDADMP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCCC1CCOCC1 ZINC000364244655 153185194 /nfs/dbraw/zinc/18/51/94/153185194.db2.gz ZELDLYLYVYVOCE-HKUYNNGSSA-N 2 1 339.524 1.530 20 0 EDADMP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCC1CCOCC1 ZINC000364244655 153185195 /nfs/dbraw/zinc/18/51/95/153185195.db2.gz ZELDLYLYVYVOCE-HKUYNNGSSA-N 2 1 339.524 1.530 20 0 EDADMP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCCC1CCOCC1 ZINC000364244655 153185200 /nfs/dbraw/zinc/18/52/00/153185200.db2.gz ZELDLYLYVYVOCE-HKUYNNGSSA-N 2 1 339.524 1.530 20 0 EDADMP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000364507310 153254879 /nfs/dbraw/zinc/25/48/79/153254879.db2.gz INDRLELTNJFNDI-INIZCTEOSA-N 2 1 333.480 1.338 20 0 EDADMP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000364507310 153254881 /nfs/dbraw/zinc/25/48/81/153254881.db2.gz INDRLELTNJFNDI-INIZCTEOSA-N 2 1 333.480 1.338 20 0 EDADMP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000364862722 153354267 /nfs/dbraw/zinc/35/42/67/153354267.db2.gz YIBGPDVTJGYPFI-OAHLLOKOSA-N 2 1 333.480 1.135 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000364862722 153354270 /nfs/dbraw/zinc/35/42/70/153354270.db2.gz YIBGPDVTJGYPFI-OAHLLOKOSA-N 2 1 333.480 1.135 20 0 EDADMP CN(C[C@@H]1CC[NH+](C)C1)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000364862722 153354273 /nfs/dbraw/zinc/35/42/73/153354273.db2.gz YIBGPDVTJGYPFI-OAHLLOKOSA-N 2 1 333.480 1.135 20 0 EDADMP CN(C[C@@H]1CC[NH+](C)C1)C(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000364862722 153354274 /nfs/dbraw/zinc/35/42/74/153354274.db2.gz YIBGPDVTJGYPFI-OAHLLOKOSA-N 2 1 333.480 1.135 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000367200664 154039412 /nfs/dbraw/zinc/03/94/12/154039412.db2.gz PLQCNPYQDNCABX-QUCCMNQESA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000367200664 154039414 /nfs/dbraw/zinc/03/94/14/154039414.db2.gz PLQCNPYQDNCABX-QUCCMNQESA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000367200664 154039416 /nfs/dbraw/zinc/03/94/16/154039416.db2.gz PLQCNPYQDNCABX-QUCCMNQESA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000367200664 154039418 /nfs/dbraw/zinc/03/94/18/154039418.db2.gz PLQCNPYQDNCABX-QUCCMNQESA-N 2 1 345.487 1.736 20 0 EDADMP COCCCn1nccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000367343948 154081970 /nfs/dbraw/zinc/08/19/70/154081970.db2.gz RBXSRJRAAAYNJI-UHFFFAOYSA-N 2 1 336.480 1.464 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC(=O)NC(N)=O)cc1F ZINC000367750001 154255284 /nfs/dbraw/zinc/25/52/84/154255284.db2.gz PEODJFYPDLJTCK-LLVKDONJSA-N 2 1 347.394 1.946 20 0 EDADMP CC(C)n1nnnc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367902950 154318961 /nfs/dbraw/zinc/31/89/61/154318961.db2.gz IXVGBOMIKLTXEW-UHFFFAOYSA-N 2 1 329.452 1.997 20 0 EDADMP CC(C)n1nnnc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367902950 154318966 /nfs/dbraw/zinc/31/89/66/154318966.db2.gz IXVGBOMIKLTXEW-UHFFFAOYSA-N 2 1 329.452 1.997 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000367906713 154321422 /nfs/dbraw/zinc/32/14/22/154321422.db2.gz YXPGABKXORLUSG-YSHGAJCASA-N 2 1 333.476 1.637 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000369506629 155063846 /nfs/dbraw/zinc/06/38/46/155063846.db2.gz IMCBLEANDJSNDA-QGZVFWFLSA-N 2 1 347.507 1.973 20 0 EDADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000369610226 155109469 /nfs/dbraw/zinc/10/94/69/155109469.db2.gz YYAJDSUSDLOVIG-JKSUJKDBSA-N 2 1 333.480 1.200 20 0 EDADMP CC(C)[N@H+]1CCc2nc(CNC[C@](C)(O)C[NH+](C)C)sc2C1 ZINC000371707672 156070508 /nfs/dbraw/zinc/07/05/08/156070508.db2.gz CRMCPHDWNLYRDT-INIZCTEOSA-N 2 1 326.510 1.312 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000371731053 156081813 /nfs/dbraw/zinc/08/18/13/156081813.db2.gz BYZHEZFWGRIRCS-OAHLLOKOSA-N 2 1 348.422 1.353 20 0 EDADMP CC(C)OC[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CCO1 ZINC000374204873 157193159 /nfs/dbraw/zinc/19/31/59/157193159.db2.gz LOQGUNALFOUMNS-GOSISDBHSA-N 2 1 327.513 1.528 20 0 EDADMP CC(C)OC[C@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CCO1 ZINC000374204873 157193161 /nfs/dbraw/zinc/19/31/61/157193161.db2.gz LOQGUNALFOUMNS-GOSISDBHSA-N 2 1 327.513 1.528 20 0 EDADMP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352519005 162226118 /nfs/dbraw/zinc/22/61/18/162226118.db2.gz KZJWMTVZTOLEKH-KRWDZBQOSA-N 2 1 346.475 1.094 20 0 EDADMP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352519005 162226122 /nfs/dbraw/zinc/22/61/22/162226122.db2.gz KZJWMTVZTOLEKH-KRWDZBQOSA-N 2 1 346.475 1.094 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)CN1CC[NH+](C)CC1 ZINC000073664438 287262668 /nfs/dbraw/zinc/26/26/68/287262668.db2.gz LLDJCAVHOGERTL-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)CCCC[NH+]2CCOCC2)c1 ZINC000171953550 227383686 /nfs/dbraw/zinc/38/36/86/227383686.db2.gz AKXOTFJTNLCPKT-UHFFFAOYSA-N 2 1 333.476 1.867 20 0 EDADMP O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000166690538 226166758 /nfs/dbraw/zinc/16/67/58/226166758.db2.gz WGIWVHHCHAHBEV-OAHLLOKOSA-N 2 1 335.473 1.552 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@H+](C[C@](C)(O)c3ccccc3)C2)CC1 ZINC000119297254 267447606 /nfs/dbraw/zinc/44/76/06/267447606.db2.gz YPLMZVPTUWYLCS-PMACEKPBSA-N 2 1 331.504 1.996 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](C[C@](C)(O)c3ccccc3)C2)CC1 ZINC000119297254 267447611 /nfs/dbraw/zinc/44/76/11/267447611.db2.gz YPLMZVPTUWYLCS-PMACEKPBSA-N 2 1 331.504 1.996 20 0 EDADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000268804856 273022207 /nfs/dbraw/zinc/02/22/07/273022207.db2.gz KMNDCSPZWLFRCO-WSTZPKSXSA-N 2 1 345.535 1.912 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000194168582 267855823 /nfs/dbraw/zinc/85/58/23/267855823.db2.gz VHHCXIVSLBANIF-FUHWJXTLSA-N 2 1 340.512 1.471 20 0 EDADMP Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C)cc1NC(=O)CC[NH+](C)C ZINC000274397488 268135526 /nfs/dbraw/zinc/13/55/26/268135526.db2.gz JOBXBCBFZRXSIT-MRXNPFEDSA-N 2 1 332.448 1.918 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000274492619 268151022 /nfs/dbraw/zinc/15/10/22/268151022.db2.gz OJRXAKWNVAGWLN-MOPGFXCFSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000274492619 268151023 /nfs/dbraw/zinc/15/10/23/268151023.db2.gz OJRXAKWNVAGWLN-MOPGFXCFSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000274492619 268151024 /nfs/dbraw/zinc/15/10/24/268151024.db2.gz OJRXAKWNVAGWLN-MOPGFXCFSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000274492619 268151025 /nfs/dbraw/zinc/15/10/25/268151025.db2.gz OJRXAKWNVAGWLN-MOPGFXCFSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCC(F)F ZINC000274844474 268220735 /nfs/dbraw/zinc/22/07/35/268220735.db2.gz PFNPQEJPYCUJMW-UKRRQHHQSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCC(F)F ZINC000274844474 268220737 /nfs/dbraw/zinc/22/07/37/268220737.db2.gz PFNPQEJPYCUJMW-UKRRQHHQSA-N 2 1 325.403 1.868 20 0 EDADMP C[NH+](C)C1(CNC(=O)NCC[N@@H+]2CCc3sccc3C2)CCC1 ZINC000275530506 268355860 /nfs/dbraw/zinc/35/58/60/268355860.db2.gz WYYFTXCOABMKFF-UHFFFAOYSA-N 2 1 336.505 1.890 20 0 EDADMP C[NH+](C)C1(CNC(=O)NCC[N@H+]2CCc3sccc3C2)CCC1 ZINC000275530506 268355862 /nfs/dbraw/zinc/35/58/62/268355862.db2.gz WYYFTXCOABMKFF-UHFFFAOYSA-N 2 1 336.505 1.890 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275702860 268370330 /nfs/dbraw/zinc/37/03/30/268370330.db2.gz SVWMATLYSIZTLF-QGZVFWFLSA-N 2 1 348.491 1.711 20 0 EDADMP CO[C@@]1(C)CCC[N@@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000279223313 273285536 /nfs/dbraw/zinc/28/55/36/273285536.db2.gz DASRDYWKUSSQPM-FQEVSTJZSA-N 2 1 345.487 1.832 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@]34CCC[C@@H]3C[NH2+]C4)CC2)nc(C)[nH+]1 ZINC000280956932 273419644 /nfs/dbraw/zinc/41/96/44/273419644.db2.gz YIRIGDLYICSKRW-BEFAXECRSA-N 2 1 343.475 1.568 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000366458295 274685805 /nfs/dbraw/zinc/68/58/05/274685805.db2.gz BIDRZWSOCGSIRG-KBPBESRZSA-N 2 1 348.472 1.813 20 0 EDADMP C[C@@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H](C)[NH3+] ZINC000248979578 287785910 /nfs/dbraw/zinc/78/59/10/287785910.db2.gz FIPANSFANHATKQ-FPCVCCKLSA-N 2 1 333.476 1.895 20 0 EDADMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000262092253 275059088 /nfs/dbraw/zinc/05/90/88/275059088.db2.gz HEQBRNRGUFQUCR-MJGOQNOKSA-N 2 1 340.471 1.895 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000174451325 276206117 /nfs/dbraw/zinc/20/61/17/276206117.db2.gz KDIPOUUPUZSGIN-DLBZAZTESA-N 2 1 335.448 1.135 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000174451325 276206118 /nfs/dbraw/zinc/20/61/18/276206118.db2.gz KDIPOUUPUZSGIN-DLBZAZTESA-N 2 1 335.448 1.135 20 0 EDADMP CC[NH2+]CCNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418318281 276265720 /nfs/dbraw/zinc/26/57/20/276265720.db2.gz OXNNOJFOUVNPGZ-QZTJIDSGSA-N 2 1 330.476 1.759 20 0 EDADMP CC[NH2+]CCNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417020111 276265729 /nfs/dbraw/zinc/26/57/29/276265729.db2.gz MAMYUSRXWULEHR-GOSISDBHSA-N 2 1 347.507 1.274 20 0 EDADMP CC[NH2+]CCNC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000417020111 276265730 /nfs/dbraw/zinc/26/57/30/276265730.db2.gz MAMYUSRXWULEHR-GOSISDBHSA-N 2 1 347.507 1.274 20 0 EDADMP CC[NH2+]CCNC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000417020111 276265732 /nfs/dbraw/zinc/26/57/32/276265732.db2.gz MAMYUSRXWULEHR-GOSISDBHSA-N 2 1 347.507 1.274 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000360957890 276331666 /nfs/dbraw/zinc/33/16/66/276331666.db2.gz RIAKRPPVZYYRFB-RDJZCZTQSA-N 2 1 325.497 1.772 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccnc1 ZINC000263692337 276377954 /nfs/dbraw/zinc/37/79/54/276377954.db2.gz OYMPZOAIYBKLMF-HNNXBMFYSA-N 2 1 340.493 1.118 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000355193668 276784582 /nfs/dbraw/zinc/78/45/82/276784582.db2.gz WATYMPWMJKMBEE-FPCVCCKLSA-N 2 1 332.448 1.471 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000272017874 277045457 /nfs/dbraw/zinc/04/54/57/277045457.db2.gz UVULHEVYWHELEC-YZGWKJHDSA-N 2 1 329.488 1.747 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000272017874 277045458 /nfs/dbraw/zinc/04/54/58/277045458.db2.gz UVULHEVYWHELEC-YZGWKJHDSA-N 2 1 329.488 1.747 20 0 EDADMP COC1(C[C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CCC1 ZINC000365345783 277188771 /nfs/dbraw/zinc/18/87/71/277188771.db2.gz PGECIRCCYLGWIK-IAGOWNOFSA-N 2 1 325.497 1.330 20 0 EDADMP COCC[C@]1(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000371271667 277241809 /nfs/dbraw/zinc/24/18/09/277241809.db2.gz UEIQMEXIRCKNSB-QFBILLFUSA-N 2 1 333.476 1.639 20 0 EDADMP COc1cccc(C(=O)NCC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422759556 278007749 /nfs/dbraw/zinc/00/77/49/278007749.db2.gz KZAKGFOBXODPQH-HNAYVOBHSA-N 2 1 341.455 1.973 20 0 EDADMP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC[NH2+]CC1 ZINC000377199730 278163320 /nfs/dbraw/zinc/16/33/20/278163320.db2.gz VWZMNLXJTDPNSG-NVXWUHKLSA-N 2 1 336.524 1.297 20 0 EDADMP C[C@H](CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC[NH2+]CC1 ZINC000377199730 278163322 /nfs/dbraw/zinc/16/33/22/278163322.db2.gz VWZMNLXJTDPNSG-NVXWUHKLSA-N 2 1 336.524 1.297 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@H](C)O1 ZINC000237655523 288067399 /nfs/dbraw/zinc/06/73/99/288067399.db2.gz ZCTPHGHCDXVCFY-UXLLHSPISA-N 2 1 333.476 1.560 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@H](C)O1 ZINC000237655523 288067403 /nfs/dbraw/zinc/06/74/03/288067403.db2.gz ZCTPHGHCDXVCFY-UXLLHSPISA-N 2 1 333.476 1.560 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000352220675 279108166 /nfs/dbraw/zinc/10/81/66/279108166.db2.gz DCBZMIPBDOBRCT-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000352213433 279108365 /nfs/dbraw/zinc/10/83/65/279108365.db2.gz HUEAAIJJNFSGQD-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000361336691 279109816 /nfs/dbraw/zinc/10/98/16/279109816.db2.gz OBUDPFVHIILDJV-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417272195 279260434 /nfs/dbraw/zinc/26/04/34/279260434.db2.gz SZAJAEQCKMCGCW-HUUCEWRRSA-N 2 1 334.464 1.444 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417272195 279260436 /nfs/dbraw/zinc/26/04/36/279260436.db2.gz SZAJAEQCKMCGCW-HUUCEWRRSA-N 2 1 334.464 1.444 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CC[NH2+][C@H](C)C1 ZINC000358693953 279313860 /nfs/dbraw/zinc/31/38/60/279313860.db2.gz QZOSQBSABCBZGD-ZACQAIPSSA-N 2 1 345.491 1.096 20 0 EDADMP CC[NH+]1CCN([C@H]2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000353318297 279370539 /nfs/dbraw/zinc/37/05/39/279370539.db2.gz ZBYDHFFWZSRBQN-MSOLQXFVSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CCC1 ZINC000426238379 288134689 /nfs/dbraw/zinc/13/46/89/288134689.db2.gz OCUCSCKJZWBDJB-OAHLLOKOSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[NH+](CC2(CN3C[C@@H](C)[N@H+](C)[C@@H](C)C3)COC2)C[C@@H](C)N1C ZINC000339621734 288149127 /nfs/dbraw/zinc/14/91/27/288149127.db2.gz JHUWUVROCHRFFQ-TVFCKZIOSA-N 2 1 338.540 1.052 20 0 EDADMP C[C@@H]1C[N@@H+](CC2(CN3C[C@@H](C)[NH+](C)[C@H](C)C3)COC2)C[C@H](C)N1C ZINC000339621734 288149130 /nfs/dbraw/zinc/14/91/30/288149130.db2.gz JHUWUVROCHRFFQ-TVFCKZIOSA-N 2 1 338.540 1.052 20 0 EDADMP C[C@@H]1C[N@H+](CC2(CN3C[C@@H](C)[NH+](C)[C@H](C)C3)COC2)C[C@H](C)N1C ZINC000339621734 288149131 /nfs/dbraw/zinc/14/91/31/288149131.db2.gz JHUWUVROCHRFFQ-TVFCKZIOSA-N 2 1 338.540 1.052 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000373624214 279777605 /nfs/dbraw/zinc/77/76/05/279777605.db2.gz HZGQQMLGIFYWEY-QLCXLMDBSA-N 2 1 337.508 1.850 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367992890 280084558 /nfs/dbraw/zinc/08/45/58/280084558.db2.gz GRFIEKDZBZLBPU-HZPDHXFCSA-N 2 1 337.414 1.964 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367992890 280084559 /nfs/dbraw/zinc/08/45/59/280084559.db2.gz GRFIEKDZBZLBPU-HZPDHXFCSA-N 2 1 337.414 1.964 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000345588503 280204487 /nfs/dbraw/zinc/20/44/87/280204487.db2.gz VNCSDUWFBFZNET-IXDOHACOSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000345588503 280204488 /nfs/dbraw/zinc/20/44/88/280204488.db2.gz VNCSDUWFBFZNET-IXDOHACOSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000290061464 288831435 /nfs/dbraw/zinc/83/14/35/288831435.db2.gz VPMPYFSCCPRTSZ-ZHALLVOQSA-N 2 1 344.503 1.701 20 0 EDADMP CC(C)[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCOC1 ZINC000291998933 289235812 /nfs/dbraw/zinc/23/58/12/289235812.db2.gz XGOJTYIRHOQQDP-ZWKOTPCHSA-N 2 1 333.476 1.905 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000420303304 289352518 /nfs/dbraw/zinc/35/25/18/289352518.db2.gz CRZBAZOUQKOTIB-SJLPKXTDSA-N 3 1 332.492 1.466 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ccccc2)CC1 ZINC000292590041 289389430 /nfs/dbraw/zinc/38/94/30/289389430.db2.gz VVLFLNFQIXPNNA-QYZOEREBSA-N 2 1 342.487 1.186 20 0 EDADMP C[C@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)C[NH+]1CCOCC1 ZINC000333597607 289644676 /nfs/dbraw/zinc/64/46/76/289644676.db2.gz PFVHLLCMAAIXEW-WBVHZDCISA-N 2 1 338.496 1.128 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@H]2C1 ZINC000333567179 290150853 /nfs/dbraw/zinc/15/08/53/290150853.db2.gz RLGZBMXPTNIBIK-DJKPWDNTSA-N 2 1 346.519 1.876 20 0 EDADMP COC[C@]1(CNC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000357280930 293292213 /nfs/dbraw/zinc/29/22/13/293292213.db2.gz ACAZJVCCDAKEPT-NBOOPKSLSA-N 2 1 341.496 1.005 20 0 EDADMP CCN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CC[N@@H+](CC)C1 ZINC000664310156 452983839 /nfs/dbraw/zinc/98/38/39/452983839.db2.gz ANUQYWDMEXBLTJ-HOCLYGCPSA-N 2 1 328.526 1.549 20 0 EDADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297987 453021712 /nfs/dbraw/zinc/02/17/12/453021712.db2.gz SVQNWLGKKNBSBG-NVXWUHKLSA-N 2 1 325.497 1.629 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C[N@@H+]1C1CC1 ZINC000333294664 297274665 /nfs/dbraw/zinc/27/46/65/297274665.db2.gz IDVHOTXGNSGWPK-FRFSOERESA-N 2 1 329.448 1.363 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C[N@H+]1C1CC1 ZINC000333294664 297274668 /nfs/dbraw/zinc/27/46/68/297274668.db2.gz IDVHOTXGNSGWPK-FRFSOERESA-N 2 1 329.448 1.363 20 0 EDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414965294 298877187 /nfs/dbraw/zinc/87/71/87/298877187.db2.gz FLIFCFZULKEYDM-ILXRZTDVSA-N 3 1 336.446 1.723 20 0 EDADMP COc1ccc(CCNC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000420372248 304752495 /nfs/dbraw/zinc/75/24/95/304752495.db2.gz QDRKVGQMDNWJSF-KRWDZBQOSA-N 2 1 349.475 1.340 20 0 EDADMP [NH3+][C@@H](C(=O)N[C@H]1CCC[NH2+]CC1)c1ccccc1Br ZINC000662555043 453284882 /nfs/dbraw/zinc/28/48/82/453284882.db2.gz TYUBDZNVTNOTMR-GXFFZTMASA-N 2 1 326.238 1.707 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000422036237 447319443 /nfs/dbraw/zinc/31/94/43/447319443.db2.gz NCEWZQDRLBAVJM-IBGZPJMESA-N 2 1 344.503 1.600 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000422036237 447319458 /nfs/dbraw/zinc/31/94/58/447319458.db2.gz NCEWZQDRLBAVJM-IBGZPJMESA-N 2 1 344.503 1.600 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000422036237 447319464 /nfs/dbraw/zinc/31/94/64/447319464.db2.gz NCEWZQDRLBAVJM-IBGZPJMESA-N 2 1 344.503 1.600 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000377728421 447319958 /nfs/dbraw/zinc/31/99/58/447319958.db2.gz TZNUGMBRINHVCX-KRWDZBQOSA-N 2 1 329.460 1.428 20 0 EDADMP CSc1ccc([C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000294422204 303104750 /nfs/dbraw/zinc/10/47/50/303104750.db2.gz NJODKKPUUMKQLT-HZPDHXFCSA-N 2 1 337.489 1.458 20 0 EDADMP CSc1ccc([C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000294422204 303104752 /nfs/dbraw/zinc/10/47/52/303104752.db2.gz NJODKKPUUMKQLT-HZPDHXFCSA-N 2 1 337.489 1.458 20 0 EDADMP C[C@@H]([NH2+]CCN1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294737960 303141246 /nfs/dbraw/zinc/14/12/46/303141246.db2.gz CBHPNRPJTOOSKU-IEBWSBKVSA-N 2 1 331.504 1.943 20 0 EDADMP C[C@@H](NCC[NH+]1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294737960 303141248 /nfs/dbraw/zinc/14/12/48/303141248.db2.gz CBHPNRPJTOOSKU-IEBWSBKVSA-N 2 1 331.504 1.943 20 0 EDADMP C[C@@H](NCC[NH+]1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294737960 303141250 /nfs/dbraw/zinc/14/12/50/303141250.db2.gz CBHPNRPJTOOSKU-IEBWSBKVSA-N 2 1 331.504 1.943 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)cn2ccnc12 ZINC000294907670 303153886 /nfs/dbraw/zinc/15/38/86/303153886.db2.gz WIBVSJUGFWDXEK-UHFFFAOYSA-N 2 1 329.404 1.134 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)cn2cc[nH+]c12 ZINC000294907670 303153890 /nfs/dbraw/zinc/15/38/90/303153890.db2.gz WIBVSJUGFWDXEK-UHFFFAOYSA-N 2 1 329.404 1.134 20 0 EDADMP C[C@H]([NH2+][C@H]1CCOC1(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295245438 303193784 /nfs/dbraw/zinc/19/37/84/303193784.db2.gz PVTJMRPCMMKYRM-SZMVWBNQSA-N 2 1 345.487 1.923 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000295245407 303193927 /nfs/dbraw/zinc/19/39/27/303193927.db2.gz PVDGCXTZSCVYGV-SFHVURJKSA-N 2 1 345.487 1.796 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458386815 447338897 /nfs/dbraw/zinc/33/88/97/447338897.db2.gz WVYPKBAMMIGVBV-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458386815 447338905 /nfs/dbraw/zinc/33/89/05/447338905.db2.gz WVYPKBAMMIGVBV-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C2 ZINC000423021120 304883381 /nfs/dbraw/zinc/88/33/81/304883381.db2.gz DKTVHXIAODCDSG-VDHUWJSZSA-N 2 1 332.444 1.745 20 0 EDADMP COC1(C[C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)CCC1 ZINC000429531918 305031669 /nfs/dbraw/zinc/03/16/69/305031669.db2.gz YGAGLWNGXWNXGY-HNNXBMFYSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC000430567522 305056189 /nfs/dbraw/zinc/05/61/89/305056189.db2.gz DTTULEONOOLQGI-OFQRWUPVSA-N 2 1 332.448 1.460 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC000430567522 305056190 /nfs/dbraw/zinc/05/61/90/305056190.db2.gz DTTULEONOOLQGI-OFQRWUPVSA-N 2 1 332.448 1.460 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430624877 305059830 /nfs/dbraw/zinc/05/98/30/305059830.db2.gz IPHSMGALHAVGII-UHFFFAOYSA-N 2 1 338.839 1.032 20 0 EDADMP [NH3+]CC1CC[NH+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000430643552 305060885 /nfs/dbraw/zinc/06/08/85/305060885.db2.gz RPMJZLCHVPKREV-UHFFFAOYSA-N 2 1 330.432 1.423 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000430876708 305066726 /nfs/dbraw/zinc/06/67/26/305066726.db2.gz GSBCQUYKXIRJLT-FVQBIDKESA-N 2 1 344.459 1.450 20 0 EDADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000430934890 305069104 /nfs/dbraw/zinc/06/91/04/305069104.db2.gz RDMVXIRQYCTQOU-CQSZACIVSA-N 2 1 336.867 1.269 20 0 EDADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000430934890 305069105 /nfs/dbraw/zinc/06/91/05/305069105.db2.gz RDMVXIRQYCTQOU-CQSZACIVSA-N 2 1 336.867 1.269 20 0 EDADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000430958555 305070963 /nfs/dbraw/zinc/07/09/63/305070963.db2.gz STGLUQSGNYYBRR-DLBZAZTESA-N 2 1 330.476 1.265 20 0 EDADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000430958555 305070964 /nfs/dbraw/zinc/07/09/64/305070964.db2.gz STGLUQSGNYYBRR-DLBZAZTESA-N 2 1 330.476 1.265 20 0 EDADMP [NH3+]CCCn1ccc2cc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)ccc21 ZINC000431040031 305073529 /nfs/dbraw/zinc/07/35/29/305073529.db2.gz UXMWBHHYMJGULE-MRXNPFEDSA-N 2 1 326.444 1.957 20 0 EDADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000431572011 305079862 /nfs/dbraw/zinc/07/98/62/305079862.db2.gz UUUNRKNLYRMILP-QGZVFWFLSA-N 2 1 338.540 1.497 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CCCO1 ZINC000433280431 305104675 /nfs/dbraw/zinc/10/46/75/305104675.db2.gz BXUPXGWKGMKDQO-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCCO1 ZINC000433280431 305104676 /nfs/dbraw/zinc/10/46/76/305104676.db2.gz BXUPXGWKGMKDQO-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCCO1 ZINC000433280431 305104677 /nfs/dbraw/zinc/10/46/77/305104677.db2.gz BXUPXGWKGMKDQO-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000433286091 305104887 /nfs/dbraw/zinc/10/48/87/305104887.db2.gz NADIICFTQUDXNT-CVEARBPZSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000433286091 305104888 /nfs/dbraw/zinc/10/48/88/305104888.db2.gz NADIICFTQUDXNT-CVEARBPZSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000433286091 305104889 /nfs/dbraw/zinc/10/48/89/305104889.db2.gz NADIICFTQUDXNT-CVEARBPZSA-N 2 1 338.496 1.271 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@H]1C ZINC000433399435 305107915 /nfs/dbraw/zinc/10/79/15/305107915.db2.gz JDZIRQSRYBNYHG-QLFBSQMISA-N 2 1 334.468 1.147 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000434301442 305120164 /nfs/dbraw/zinc/12/01/64/305120164.db2.gz QGEWQVYOKQCYQW-GDBMZVCRSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000434301442 305120165 /nfs/dbraw/zinc/12/01/65/305120165.db2.gz QGEWQVYOKQCYQW-GDBMZVCRSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434301442 305120166 /nfs/dbraw/zinc/12/01/66/305120166.db2.gz QGEWQVYOKQCYQW-GDBMZVCRSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434301442 305120167 /nfs/dbraw/zinc/12/01/67/305120167.db2.gz QGEWQVYOKQCYQW-GDBMZVCRSA-N 2 1 338.496 1.221 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000434712551 305129334 /nfs/dbraw/zinc/12/93/34/305129334.db2.gz VXZVHFXVWAWACB-KRWDZBQOSA-N 2 1 334.464 1.323 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000436293760 305155666 /nfs/dbraw/zinc/15/56/66/305155666.db2.gz DQWCYVIMDVUTRY-IRXDYDNUSA-N 2 1 331.460 1.570 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000436293760 305155667 /nfs/dbraw/zinc/15/56/67/305155667.db2.gz DQWCYVIMDVUTRY-IRXDYDNUSA-N 2 1 331.460 1.570 20 0 EDADMP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000438840947 305189933 /nfs/dbraw/zinc/18/99/33/305189933.db2.gz KNSRCBUPLGBHGP-GOSISDBHSA-N 2 1 329.448 1.679 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000440137244 305203392 /nfs/dbraw/zinc/20/33/92/305203392.db2.gz SYGYLCRMRAHBGA-IAGOWNOFSA-N 2 1 347.507 1.320 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000446372861 305264056 /nfs/dbraw/zinc/26/40/56/305264056.db2.gz YDZYROPEDVKQKL-PPLBCVRQSA-N 2 1 337.508 1.898 20 0 EDADMP Cc1cccc(NCCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)[nH+]1 ZINC000446378920 305264170 /nfs/dbraw/zinc/26/41/70/305264170.db2.gz XRPHVEVEFRELCK-JCKWVBRZSA-N 2 1 332.448 1.451 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000447043609 305273114 /nfs/dbraw/zinc/27/31/14/305273114.db2.gz BUNCMVOVZSHDSD-HNNXBMFYSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000447043609 305273115 /nfs/dbraw/zinc/27/31/15/305273115.db2.gz BUNCMVOVZSHDSD-HNNXBMFYSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)N1CC[NH+](C)CC1 ZINC000447723802 305284484 /nfs/dbraw/zinc/28/44/84/305284484.db2.gz RGFCYLWFWNOWHE-WMLDXEAASA-N 2 1 346.475 1.646 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)C[C@H]1[NH+]1CCOCC1 ZINC000449138505 305307597 /nfs/dbraw/zinc/30/75/97/305307597.db2.gz IIBWIMXHLMMHCY-BZUAXINKSA-N 2 1 325.497 1.580 20 0 EDADMP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](C[C@H]3CCCCO3)C2)CC1 ZINC000451527236 305351192 /nfs/dbraw/zinc/35/11/92/305351192.db2.gz DCOSGJIVHYJYRO-RTBURBONSA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@H]3CCCCO3)C2)CC1 ZINC000451527236 305351193 /nfs/dbraw/zinc/35/11/93/305351193.db2.gz DCOSGJIVHYJYRO-RTBURBONSA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@H]3CCCCO3)C2)CC1 ZINC000451527236 305351194 /nfs/dbraw/zinc/35/11/94/305351194.db2.gz DCOSGJIVHYJYRO-RTBURBONSA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@H]3CCCCO3)C2)CC1 ZINC000451527236 305351195 /nfs/dbraw/zinc/35/11/95/305351195.db2.gz DCOSGJIVHYJYRO-RTBURBONSA-N 2 1 337.508 1.822 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC000451607931 305356061 /nfs/dbraw/zinc/35/60/61/305356061.db2.gz ISGDQSNQNORCGI-GVDBMIGSSA-N 2 1 327.513 1.418 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC(C)(C)CCC[NH+](C)C)n2C ZINC000456178062 305452316 /nfs/dbraw/zinc/45/23/16/305452316.db2.gz ZEAQVJFHBXCDLV-UHFFFAOYSA-N 2 1 346.479 1.885 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C/C=C/c3ccncc3)CC2)CC1 ZINC000494961367 305634653 /nfs/dbraw/zinc/63/46/53/305634653.db2.gz UPALJRSZDRDKHR-NSCUHMNNSA-N 2 1 342.487 1.971 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1[NH2+]CCc2ccccc21)C[NH+]1CCOCC1 ZINC000516024617 305731199 /nfs/dbraw/zinc/73/11/99/305731199.db2.gz XNRCJXKWQSBSOI-CRAIPNDOSA-N 2 1 346.475 1.141 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@@H]1C ZINC000414937096 447363895 /nfs/dbraw/zinc/36/38/95/447363895.db2.gz HKYIUGXGGZEEHG-YOEHRIQHSA-N 2 1 346.475 1.676 20 0 EDADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)CC3 ZINC000545899882 306087259 /nfs/dbraw/zinc/08/72/59/306087259.db2.gz JAHBAXWPNOXOJE-ORAYPTAESA-N 2 1 329.444 1.690 20 0 EDADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)CC3 ZINC000545899882 306087260 /nfs/dbraw/zinc/08/72/60/306087260.db2.gz JAHBAXWPNOXOJE-ORAYPTAESA-N 2 1 329.444 1.690 20 0 EDADMP C[N@H+](CC(=O)Nc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCOC1 ZINC000552098050 306175097 /nfs/dbraw/zinc/17/50/97/306175097.db2.gz RMCGGOUICNRVJP-GOSISDBHSA-N 2 1 347.459 1.568 20 0 EDADMP C[N@@H+](CC(=O)Nc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCOC1 ZINC000552098050 306175098 /nfs/dbraw/zinc/17/50/98/306175098.db2.gz RMCGGOUICNRVJP-GOSISDBHSA-N 2 1 347.459 1.568 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000556952133 306221805 /nfs/dbraw/zinc/22/18/05/306221805.db2.gz DWOBVIFAGPTSSL-QGZVFWFLSA-N 2 1 332.448 1.387 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N)nc1 ZINC000414993734 447386726 /nfs/dbraw/zinc/38/67/26/447386726.db2.gz UBDJPXBZPUWWAJ-CQSZACIVSA-N 2 1 333.436 1.229 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377909384 447387932 /nfs/dbraw/zinc/38/79/32/447387932.db2.gz IIGPIPLENZOMNR-QGZVFWFLSA-N 2 1 334.508 1.243 20 0 EDADMP CC[C@]1(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC[NH2+]C1 ZINC000378219230 447408583 /nfs/dbraw/zinc/40/85/83/447408583.db2.gz IIZGIMBHLNSZCN-UZLBHIALSA-N 2 1 345.487 1.913 20 0 EDADMP CC[C@]1(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC[NH2+]C1 ZINC000378219230 447408589 /nfs/dbraw/zinc/40/85/89/447408589.db2.gz IIZGIMBHLNSZCN-UZLBHIALSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000419806629 447425421 /nfs/dbraw/zinc/42/54/21/447425421.db2.gz COZWOLVKNFCXSW-RRQGHBQHSA-N 2 1 344.459 1.066 20 0 EDADMP COCC(C)(C)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000426413191 447438686 /nfs/dbraw/zinc/43/86/86/447438686.db2.gz RCCMQUJGAVCXKB-UHFFFAOYSA-N 2 1 325.497 1.535 20 0 EDADMP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)c2)CC1 ZINC000073074588 441291168 /nfs/dbraw/zinc/29/11/68/441291168.db2.gz RUVKNBZUKLCBAM-GOSISDBHSA-N 2 1 342.487 1.401 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000106458167 441345061 /nfs/dbraw/zinc/34/50/61/441345061.db2.gz RSKXMLAFOAULIJ-PKOBYXMFSA-N 2 1 346.519 1.900 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N[C@@H](C)CC[NH+](C)C)CC2)[nH+]c1 ZINC000073904288 441366928 /nfs/dbraw/zinc/36/69/28/441366928.db2.gz BOWVHMPHHRXSFN-HNNXBMFYSA-N 2 1 333.480 1.998 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000085389228 441435618 /nfs/dbraw/zinc/43/56/18/441435618.db2.gz YWOFVFUDMRNRTE-ULQDDVLXSA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000085389228 441435619 /nfs/dbraw/zinc/43/56/19/441435619.db2.gz YWOFVFUDMRNRTE-ULQDDVLXSA-N 2 1 340.512 1.325 20 0 EDADMP CC1CC[NH+](CC2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000052184448 441438722 /nfs/dbraw/zinc/43/87/22/441438722.db2.gz ARHHLTURJKXHPC-SFHVURJKSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](C2CCOCC2)CC1 ZINC000074498946 441440567 /nfs/dbraw/zinc/44/05/67/441440567.db2.gz KBTLWEMKZKIEQS-KRWDZBQOSA-N 2 1 338.496 1.367 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000074498946 441440568 /nfs/dbraw/zinc/44/05/68/441440568.db2.gz KBTLWEMKZKIEQS-KRWDZBQOSA-N 2 1 338.496 1.367 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000074498946 441440571 /nfs/dbraw/zinc/44/05/71/441440571.db2.gz KBTLWEMKZKIEQS-KRWDZBQOSA-N 2 1 338.496 1.367 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000052589834 441462979 /nfs/dbraw/zinc/46/29/79/441462979.db2.gz SPAQGLJFIVMTHA-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000052589834 441462983 /nfs/dbraw/zinc/46/29/83/441462983.db2.gz SPAQGLJFIVMTHA-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000052589834 441462986 /nfs/dbraw/zinc/46/29/86/441462986.db2.gz SPAQGLJFIVMTHA-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108561226 441464855 /nfs/dbraw/zinc/46/48/55/441464855.db2.gz XVVIKWDMFNJAAQ-RBUKOAKNSA-N 2 1 344.503 1.943 20 0 EDADMP C[C@H]1CCC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000066405949 441529005 /nfs/dbraw/zinc/52/90/05/441529005.db2.gz QCVISNZGMUMMQZ-KRWDZBQOSA-N 2 1 337.508 1.870 20 0 EDADMP C[C@H]1CCC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000066405949 441529009 /nfs/dbraw/zinc/52/90/09/441529009.db2.gz QCVISNZGMUMMQZ-KRWDZBQOSA-N 2 1 337.508 1.870 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000109930888 441511261 /nfs/dbraw/zinc/51/12/61/441511261.db2.gz IVALDIDECXMCFD-GOSISDBHSA-N 2 1 332.492 1.433 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000067686616 441666876 /nfs/dbraw/zinc/66/68/76/441666876.db2.gz XFOKVZBDRAGFCU-INIZCTEOSA-N 2 1 331.464 1.644 20 0 EDADMP CCOC[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114485462 441663316 /nfs/dbraw/zinc/66/33/16/441663316.db2.gz XSNLOTQVVHLQPE-MRXNPFEDSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091321204 441695096 /nfs/dbraw/zinc/69/50/96/441695096.db2.gz FCKBVPVNOPODJA-OLZOCXBDSA-N 2 1 336.461 1.826 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000173408041 441737563 /nfs/dbraw/zinc/73/75/63/441737563.db2.gz DQTZMMAPRSYNMZ-DLBZAZTESA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000173489392 441768333 /nfs/dbraw/zinc/76/83/33/441768333.db2.gz UACRPYLCOCGYCF-IXDOHACOSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000173489392 441768334 /nfs/dbraw/zinc/76/83/34/441768334.db2.gz UACRPYLCOCGYCF-IXDOHACOSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000173489392 441768341 /nfs/dbraw/zinc/76/83/41/441768341.db2.gz UACRPYLCOCGYCF-IXDOHACOSA-N 2 1 340.512 1.467 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@]4(CC[NH2+]C4)C3)CC2)cs1 ZINC000158933686 441773455 /nfs/dbraw/zinc/77/34/55/441773455.db2.gz ZOMMXVBAHFJGGX-SFHVURJKSA-N 2 1 348.516 1.876 20 0 EDADMP Nc1nc(-n2cccn2)cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)[nH+]1 ZINC000092923881 441841599 /nfs/dbraw/zinc/84/15/99/441841599.db2.gz GCERDWQQKYUAPV-HIFRSBDPSA-N 2 1 339.447 1.698 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000174129649 441891209 /nfs/dbraw/zinc/89/12/09/441891209.db2.gz IFUFMJINTFEUME-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000174129649 441891215 /nfs/dbraw/zinc/89/12/15/441891215.db2.gz IFUFMJINTFEUME-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@](C)(O)C1 ZINC000124459549 441929131 /nfs/dbraw/zinc/92/91/31/441929131.db2.gz QZGIRONEBFKKCO-ILZDJORESA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@](C)(O)C1 ZINC000124459549 441929134 /nfs/dbraw/zinc/92/91/34/441929134.db2.gz QZGIRONEBFKKCO-ILZDJORESA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@](C)(O)C1 ZINC000124459549 441929138 /nfs/dbraw/zinc/92/91/38/441929138.db2.gz QZGIRONEBFKKCO-ILZDJORESA-N 2 1 345.487 1.612 20 0 EDADMP Cc1ccc(S(=O)(=O)NCCN(C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000125290804 442005833 /nfs/dbraw/zinc/00/58/33/442005833.db2.gz UCWBEXUGDNIQQI-MRXNPFEDSA-N 2 1 339.505 1.689 20 0 EDADMP C[NH+](C)CC1(CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CCCC1 ZINC000458664444 447445018 /nfs/dbraw/zinc/44/50/18/447445018.db2.gz QBAIJHZSRNOAJT-MRXNPFEDSA-N 2 1 340.512 1.254 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(COC)on1 ZINC000079886230 442094223 /nfs/dbraw/zinc/09/42/23/442094223.db2.gz CRQNBVCIMYJOTJ-CQSZACIVSA-N 2 1 338.452 1.309 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000126121596 442080251 /nfs/dbraw/zinc/08/02/51/442080251.db2.gz LJQYPRKDDRGQHZ-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126121596 442080255 /nfs/dbraw/zinc/08/02/55/442080255.db2.gz LJQYPRKDDRGQHZ-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126121596 442080260 /nfs/dbraw/zinc/08/02/60/442080260.db2.gz LJQYPRKDDRGQHZ-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC[N@H+]1C ZINC000163494446 442169758 /nfs/dbraw/zinc/16/97/58/442169758.db2.gz LKCJXUFIJXEUPW-WBVHZDCISA-N 3 1 338.540 1.685 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCN1C ZINC000163494446 442169761 /nfs/dbraw/zinc/16/97/61/442169761.db2.gz LKCJXUFIJXEUPW-WBVHZDCISA-N 2 1 338.540 1.685 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000152212014 442182141 /nfs/dbraw/zinc/18/21/41/442182141.db2.gz TYUVNQMKGBCPER-OTWHNJEPSA-N 2 1 339.524 1.672 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000152212014 442182143 /nfs/dbraw/zinc/18/21/43/442182143.db2.gz TYUVNQMKGBCPER-OTWHNJEPSA-N 2 1 339.524 1.672 20 0 EDADMP C[C@H](CNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)[N@@H+](C)C1CC1 ZINC000175965539 442155151 /nfs/dbraw/zinc/15/51/51/442155151.db2.gz PJJNFHRHRFIIHK-VQIMIIECSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C1CC1 ZINC000175965539 442155164 /nfs/dbraw/zinc/15/51/64/442155164.db2.gz PJJNFHRHRFIIHK-VQIMIIECSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](CNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1)[N@H+](C)C1CC1 ZINC000175965539 442155168 /nfs/dbraw/zinc/15/51/68/442155168.db2.gz PJJNFHRHRFIIHK-VQIMIIECSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](CNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1)[N@@H+](C)C1CC1 ZINC000175965539 442155172 /nfs/dbraw/zinc/15/51/72/442155172.db2.gz PJJNFHRHRFIIHK-VQIMIIECSA-N 2 1 345.487 1.876 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCC[C@@H]1CCO)c1ccccc1 ZINC000176295695 442206976 /nfs/dbraw/zinc/20/69/76/442206976.db2.gz IZBJHPPPRUMHME-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000165807393 442211992 /nfs/dbraw/zinc/21/19/92/442211992.db2.gz YRKQBJIVGACMEM-QGZVFWFLSA-N 2 1 344.459 1.084 20 0 EDADMP COc1ccc(NC(=O)CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000152468546 442216149 /nfs/dbraw/zinc/21/61/49/442216149.db2.gz YQLQBKXHABUXCP-CQSZACIVSA-N 2 1 335.448 1.916 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000152478728 442217892 /nfs/dbraw/zinc/21/78/92/442217892.db2.gz OAGLCYIHOAHBPN-AWEZNQCLSA-N 2 1 332.448 1.388 20 0 EDADMP C[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152478728 442217895 /nfs/dbraw/zinc/21/78/95/442217895.db2.gz OAGLCYIHOAHBPN-AWEZNQCLSA-N 2 1 332.448 1.388 20 0 EDADMP C[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152478728 442217898 /nfs/dbraw/zinc/21/78/98/442217898.db2.gz OAGLCYIHOAHBPN-AWEZNQCLSA-N 2 1 332.448 1.388 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176400712 442218332 /nfs/dbraw/zinc/21/83/32/442218332.db2.gz CYAZAEFCZDWUSK-QGZVFWFLSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[NH+]1CCSCC1 ZINC000152556702 442225911 /nfs/dbraw/zinc/22/59/11/442225911.db2.gz CFQAOWUJLAJFIK-HNNXBMFYSA-N 2 1 325.522 1.758 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000128100458 442244789 /nfs/dbraw/zinc/24/47/89/442244789.db2.gz QEMCNOAVPAYSDC-YVSFHVDLSA-N 2 1 337.508 1.865 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCN1C(=O)NC2(CCCC2)C1=O ZINC000177314877 442327970 /nfs/dbraw/zinc/32/79/70/442327970.db2.gz DSWNIYYQMZRKSM-CABCVRRESA-N 2 1 334.464 1.410 20 0 EDADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)NC2(CCCC2)C1=O ZINC000177314877 442327973 /nfs/dbraw/zinc/32/79/73/442327973.db2.gz DSWNIYYQMZRKSM-CABCVRRESA-N 2 1 334.464 1.410 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)(O)CC1 ZINC000177314836 442328274 /nfs/dbraw/zinc/32/82/74/442328274.db2.gz KLEWFIDGXZETBJ-FUHWJXTLSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)(O)CC1 ZINC000177314836 442328276 /nfs/dbraw/zinc/32/82/76/442328276.db2.gz KLEWFIDGXZETBJ-FUHWJXTLSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129243840 442307809 /nfs/dbraw/zinc/30/78/09/442307809.db2.gz DTMCUBLHLMFPIW-KSZLIROESA-N 2 1 337.508 1.678 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000177853220 442391329 /nfs/dbraw/zinc/39/13/29/442391329.db2.gz MKTFISNAGQDGGQ-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000132388721 442392537 /nfs/dbraw/zinc/39/25/37/442392537.db2.gz HTMDKRJHJFXSLF-KRWDZBQOSA-N 2 1 345.553 1.904 20 0 EDADMP CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000132388721 442392539 /nfs/dbraw/zinc/39/25/39/442392539.db2.gz HTMDKRJHJFXSLF-KRWDZBQOSA-N 2 1 345.553 1.904 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)[C@H](C)C1 ZINC000178022137 442402103 /nfs/dbraw/zinc/40/21/03/442402103.db2.gz YWHRQCBGDYLNGH-IAGOWNOFSA-N 2 1 325.497 1.726 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)[C@H](C)C1 ZINC000178022137 442402104 /nfs/dbraw/zinc/40/21/04/442402104.db2.gz YWHRQCBGDYLNGH-IAGOWNOFSA-N 2 1 325.497 1.726 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCc3cccnc3)CC2)CC1 ZINC000172164351 442417849 /nfs/dbraw/zinc/41/78/49/442417849.db2.gz GIAIOQVOWWXCST-UHFFFAOYSA-N 2 1 344.503 1.890 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+](C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000133445923 442418736 /nfs/dbraw/zinc/41/87/36/442418736.db2.gz RZNJUHZKQNXROX-INIZCTEOSA-N 2 1 333.480 1.058 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000178873850 442510079 /nfs/dbraw/zinc/51/00/79/442510079.db2.gz MWLMYWFSKALARB-IBGZPJMESA-N 2 1 344.503 1.582 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000178852029 442502471 /nfs/dbraw/zinc/50/24/71/442502471.db2.gz YRJPIJOMADXQPL-APWZRJJASA-N 2 1 344.503 1.561 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cc4ccccc4[nH]3)cn2)CC1 ZINC000134257210 442462761 /nfs/dbraw/zinc/46/27/61/442462761.db2.gz MEQXAVLDILLNBJ-UHFFFAOYSA-N 2 1 336.443 2.000 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000178749831 442474325 /nfs/dbraw/zinc/47/43/25/442474325.db2.gz WESSNVVKNAVRHR-QGZVFWFLSA-N 2 1 336.524 1.489 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000134923606 442537253 /nfs/dbraw/zinc/53/72/53/442537253.db2.gz XZJGIPWLHHWFNQ-GDBMZVCRSA-N 2 1 348.491 1.656 20 0 EDADMP CC1(C)NC(=O)N(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000134923606 442537255 /nfs/dbraw/zinc/53/72/55/442537255.db2.gz XZJGIPWLHHWFNQ-GDBMZVCRSA-N 2 1 348.491 1.656 20 0 EDADMP CC1(C)NC(=O)N(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000134923606 442537258 /nfs/dbraw/zinc/53/72/58/442537258.db2.gz XZJGIPWLHHWFNQ-GDBMZVCRSA-N 2 1 348.491 1.656 20 0 EDADMP C[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000156713659 442511902 /nfs/dbraw/zinc/51/19/02/442511902.db2.gz GXQYXCQTXMESIO-SCTDSRPQSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000156713659 442511906 /nfs/dbraw/zinc/51/19/06/442511906.db2.gz GXQYXCQTXMESIO-SCTDSRPQSA-N 2 1 344.503 1.259 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000172717872 442526326 /nfs/dbraw/zinc/52/63/26/442526326.db2.gz JMEXCMDYTXHRPA-INIZCTEOSA-N 2 1 341.402 1.186 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000172717872 442526330 /nfs/dbraw/zinc/52/63/30/442526330.db2.gz JMEXCMDYTXHRPA-INIZCTEOSA-N 2 1 341.402 1.186 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000135342211 442583202 /nfs/dbraw/zinc/58/32/02/442583202.db2.gz TVKVSGQFZDCXDD-UHFFFAOYSA-N 2 1 340.443 1.265 20 0 EDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192104090 442593035 /nfs/dbraw/zinc/59/30/35/442593035.db2.gz KDQFJWGHKWYOGV-OLZOCXBDSA-N 2 1 348.447 1.005 20 0 EDADMP C[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)[NH+]1CCc2ccccc2C1 ZINC000135517288 442605894 /nfs/dbraw/zinc/60/58/94/442605894.db2.gz VRCBDWVUOJZKIB-CRAIPNDOSA-N 2 1 347.528 1.987 20 0 EDADMP C[C@H](CNC(=O)C[NH+](C)[C@@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000135517288 442605899 /nfs/dbraw/zinc/60/58/99/442605899.db2.gz VRCBDWVUOJZKIB-CRAIPNDOSA-N 2 1 347.528 1.987 20 0 EDADMP C[C@H](CNC(=O)C[NH+](C)[C@@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000135517288 442605904 /nfs/dbraw/zinc/60/59/04/442605904.db2.gz VRCBDWVUOJZKIB-CRAIPNDOSA-N 2 1 347.528 1.987 20 0 EDADMP C[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3C[NH+](Cc4ccccc4)CCO3)C[C@H]2C1 ZINC000192464704 442649555 /nfs/dbraw/zinc/64/95/55/442649555.db2.gz XFUGNXXZUPIXSU-CEXWTWQISA-N 2 1 343.471 1.298 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3C[NH+](Cc4ccccc4)CCO3)C[C@H]2C1 ZINC000192464704 442649557 /nfs/dbraw/zinc/64/95/57/442649557.db2.gz XFUGNXXZUPIXSU-CEXWTWQISA-N 2 1 343.471 1.298 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@H]2C1 ZINC000192464704 442649561 /nfs/dbraw/zinc/64/95/61/442649561.db2.gz XFUGNXXZUPIXSU-CEXWTWQISA-N 2 1 343.471 1.298 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@H]2C1 ZINC000192464704 442649562 /nfs/dbraw/zinc/64/95/62/442649562.db2.gz XFUGNXXZUPIXSU-CEXWTWQISA-N 2 1 343.471 1.298 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000187953416 442699790 /nfs/dbraw/zinc/69/97/90/442699790.db2.gz SLDWEMYWACNTTJ-WZGPROSRSA-N 2 1 345.487 1.875 20 0 EDADMP CCOC(=O)C[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000182663944 442802875 /nfs/dbraw/zinc/80/28/75/442802875.db2.gz ZOVVMXDXOJDPLA-CQSZACIVSA-N 2 1 327.469 1.249 20 0 EDADMP C[C@@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)CC[N@H+]1CC(C)(C)O ZINC000188514720 442759007 /nfs/dbraw/zinc/75/90/07/442759007.db2.gz RHSJJUHWXWMFGB-OAHLLOKOSA-N 2 1 340.512 1.205 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000246360475 442775930 /nfs/dbraw/zinc/77/59/30/442775930.db2.gz PUCXRRFFOPWULN-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000246360475 442775936 /nfs/dbraw/zinc/77/59/36/442775936.db2.gz PUCXRRFFOPWULN-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000246360475 442775938 /nfs/dbraw/zinc/77/59/38/442775938.db2.gz PUCXRRFFOPWULN-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246377729 442777397 /nfs/dbraw/zinc/77/73/97/442777397.db2.gz IBAIUAKRRROQQY-IKGGRYGDSA-N 2 1 340.512 1.326 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246377729 442777400 /nfs/dbraw/zinc/77/74/00/442777400.db2.gz IBAIUAKRRROQQY-IKGGRYGDSA-N 2 1 340.512 1.326 20 0 EDADMP C[C@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCC[C@H](C)C1 ZINC000246765251 442811532 /nfs/dbraw/zinc/81/15/32/442811532.db2.gz QURXGRLKDZWAAF-LSDHHAIUSA-N 2 1 336.484 1.687 20 0 EDADMP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000188967103 442851488 /nfs/dbraw/zinc/85/14/88/442851488.db2.gz WDMXRIZRAGEADQ-LRDDRELGSA-N 2 1 329.448 1.144 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000268148203 442870036 /nfs/dbraw/zinc/87/00/36/442870036.db2.gz UDWOFVGFYQJGGZ-MAUKXSAKSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000268148203 442870040 /nfs/dbraw/zinc/87/00/40/442870040.db2.gz UDWOFVGFYQJGGZ-MAUKXSAKSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000268148203 442870044 /nfs/dbraw/zinc/87/00/44/442870044.db2.gz UDWOFVGFYQJGGZ-MAUKXSAKSA-N 2 1 330.476 1.900 20 0 EDADMP COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1CCCCn1cc[nH+]c1C ZINC000183140268 442887656 /nfs/dbraw/zinc/88/76/56/442887656.db2.gz VMJMNDRZBAAUJS-LSDHHAIUSA-N 2 1 337.420 1.398 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cn1 ZINC000268208272 442901035 /nfs/dbraw/zinc/90/10/35/442901035.db2.gz NEOKIYUSYUPPFM-BBRMVZONSA-N 2 1 342.447 1.667 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000194909984 442967906 /nfs/dbraw/zinc/96/79/06/442967906.db2.gz CMQZYPQLSXLMBC-ZACQAIPSSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000194909984 442967910 /nfs/dbraw/zinc/96/79/10/442967910.db2.gz CMQZYPQLSXLMBC-ZACQAIPSSA-N 2 1 340.512 1.469 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N2CCNC2=O)cc1 ZINC000183681868 442952595 /nfs/dbraw/zinc/95/25/95/442952595.db2.gz OSESEFIWUHUACW-LBPRGKRZSA-N 2 1 327.388 1.383 20 0 EDADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000297277067 318757439 /nfs/dbraw/zinc/75/74/39/318757439.db2.gz CSZHSHLDJADLQR-HNNXBMFYSA-N 2 1 328.420 1.366 20 0 EDADMP CC[C@@H](NC(=O)C[NH2+]C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236901648 443152163 /nfs/dbraw/zinc/15/21/63/443152163.db2.gz FFCUQKDYEIXSOV-MSOLQXFVSA-N 2 1 331.460 1.534 20 0 EDADMP CC[C@@H](NC(=O)C[NH2+]C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236901648 443152167 /nfs/dbraw/zinc/15/21/67/443152167.db2.gz FFCUQKDYEIXSOV-MSOLQXFVSA-N 2 1 331.460 1.534 20 0 EDADMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000268935943 443152456 /nfs/dbraw/zinc/15/24/56/443152456.db2.gz ULBBZWSJYBPBBD-INIZCTEOSA-N 2 1 349.475 1.909 20 0 EDADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000237152081 443161282 /nfs/dbraw/zinc/16/12/82/443161282.db2.gz KOBVABNJRMLYNY-KRWDZBQOSA-N 2 1 346.475 1.135 20 0 EDADMP CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000269235387 443244395 /nfs/dbraw/zinc/24/43/95/443244395.db2.gz GLKNUFQIIWIAEU-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP CC(C)CNC(=O)NC(=O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674603 443236156 /nfs/dbraw/zinc/23/61/56/443236156.db2.gz TWBSYFOQRICCCH-GJZGRUSLSA-N 2 1 338.496 1.711 20 0 EDADMP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674603 443236159 /nfs/dbraw/zinc/23/61/59/443236159.db2.gz TWBSYFOQRICCCH-GJZGRUSLSA-N 2 1 338.496 1.711 20 0 EDADMP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674603 443236163 /nfs/dbraw/zinc/23/61/63/443236163.db2.gz TWBSYFOQRICCCH-GJZGRUSLSA-N 2 1 338.496 1.711 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)[C@H](C)C1 ZINC000262758465 443210686 /nfs/dbraw/zinc/21/06/86/443210686.db2.gz ICLLMPJZLVWGHU-OAGGEKHMSA-N 2 1 343.537 1.335 20 0 EDADMP C[C@@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000269250881 443250949 /nfs/dbraw/zinc/25/09/49/443250949.db2.gz GWOUXMAZOKZAEI-MJGOQNOKSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000383719867 319126122 /nfs/dbraw/zinc/12/61/22/319126122.db2.gz YDTNHHHEEGFYDR-UFYCRDLUSA-N 2 1 331.504 1.753 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000383719867 319126124 /nfs/dbraw/zinc/12/61/24/319126124.db2.gz YDTNHHHEEGFYDR-UFYCRDLUSA-N 2 1 331.504 1.753 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000383719867 319126125 /nfs/dbraw/zinc/12/61/25/319126125.db2.gz YDTNHHHEEGFYDR-UFYCRDLUSA-N 3 1 331.504 1.753 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)[C@@H](C)C1 ZINC000411553741 319183854 /nfs/dbraw/zinc/18/38/54/319183854.db2.gz RWZJXATVNCJSJB-ULQDDVLXSA-N 2 1 341.496 1.008 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)[C@@H](C)C1 ZINC000411553741 319183855 /nfs/dbraw/zinc/18/38/55/319183855.db2.gz RWZJXATVNCJSJB-ULQDDVLXSA-N 2 1 341.496 1.008 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000413850691 319293631 /nfs/dbraw/zinc/29/36/31/319293631.db2.gz CPIBXBAOASBNRI-AEFFLSMTSA-N 2 1 330.476 1.997 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000413850691 319293632 /nfs/dbraw/zinc/29/36/32/319293632.db2.gz CPIBXBAOASBNRI-AEFFLSMTSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000413850691 319293635 /nfs/dbraw/zinc/29/36/35/319293635.db2.gz CPIBXBAOASBNRI-AEFFLSMTSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000413850691 319293637 /nfs/dbraw/zinc/29/36/37/319293637.db2.gz CPIBXBAOASBNRI-AEFFLSMTSA-N 2 1 330.476 1.997 20 0 EDADMP COc1ccccc1C[C@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414693487 319343493 /nfs/dbraw/zinc/34/34/93/319343493.db2.gz RTHSJWAMENMQKB-SJLPKXTDSA-N 2 1 345.487 1.899 20 0 EDADMP Cc1ccc(NC(=O)C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000264304704 443259599 /nfs/dbraw/zinc/25/95/99/443259599.db2.gz XEAGRFGEPKLLHQ-INIZCTEOSA-N 2 1 333.476 1.958 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415746362 319369026 /nfs/dbraw/zinc/36/90/26/319369026.db2.gz OQURNDQLPCMIDU-GUYCJALGSA-N 2 1 344.459 1.210 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](CCOCC)CC1 ZINC000415957297 319384911 /nfs/dbraw/zinc/38/49/11/319384911.db2.gz PBJRXWLKCAWHOZ-UHFFFAOYSA-N 2 1 334.464 1.982 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000266879146 443277164 /nfs/dbraw/zinc/27/71/64/443277164.db2.gz ZVNPWMGXVDDHOG-ROUUACIJSA-N 2 1 346.475 1.225 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000266879146 443277171 /nfs/dbraw/zinc/27/71/71/443277171.db2.gz ZVNPWMGXVDDHOG-ROUUACIJSA-N 2 1 346.475 1.225 20 0 EDADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000266879146 443277174 /nfs/dbraw/zinc/27/71/74/443277174.db2.gz ZVNPWMGXVDDHOG-ROUUACIJSA-N 2 1 346.475 1.225 20 0 EDADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000266879146 443277179 /nfs/dbraw/zinc/27/71/79/443277179.db2.gz ZVNPWMGXVDDHOG-ROUUACIJSA-N 2 1 346.475 1.225 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191386978 443288255 /nfs/dbraw/zinc/28/82/55/443288255.db2.gz XSBNRWAWGWNDOU-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)[NH+](C)C ZINC000416827871 319464617 /nfs/dbraw/zinc/46/46/17/319464617.db2.gz DFDWLTRBJDSAOR-OLZOCXBDSA-N 2 1 344.406 1.580 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000416934130 319478275 /nfs/dbraw/zinc/47/82/75/319478275.db2.gz DCESIPCCZHEGQZ-IRXDYDNUSA-N 2 1 340.512 1.550 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)N(C)[C@H](C)C[NH3+])cc1 ZINC000419045279 319546612 /nfs/dbraw/zinc/54/66/12/319546612.db2.gz VWKYNRTWEXYAIH-CHWSQXEVSA-N 2 1 343.431 1.164 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267137851 443354200 /nfs/dbraw/zinc/35/42/00/443354200.db2.gz DSTZCFCFBKEJMV-CZUORRHYSA-N 2 1 339.509 1.564 20 0 EDADMP C[N@H+](CCNC(=O)N1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000264866233 443459666 /nfs/dbraw/zinc/45/96/66/443459666.db2.gz OLZJYZJGNXZPMY-UHFFFAOYSA-N 2 1 330.476 1.651 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000264866233 443459670 /nfs/dbraw/zinc/45/96/70/443459670.db2.gz OLZJYZJGNXZPMY-UHFFFAOYSA-N 2 1 330.476 1.651 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000267475242 443470378 /nfs/dbraw/zinc/47/03/78/443470378.db2.gz ZAAVWGCXGCDPDI-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CCOC1 ZINC000267475242 443470380 /nfs/dbraw/zinc/47/03/80/443470380.db2.gz ZAAVWGCXGCDPDI-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CCOC1 ZINC000267475242 443470383 /nfs/dbraw/zinc/47/03/83/443470383.db2.gz ZAAVWGCXGCDPDI-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc(N2CCOCC2)c1 ZINC000423053719 319750179 /nfs/dbraw/zinc/75/01/79/319750179.db2.gz SITGPFIBAZHHOR-KZNAEPCWSA-N 2 1 330.476 1.929 20 0 EDADMP C[NH+](C)C(C)(C)CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000273118644 443541512 /nfs/dbraw/zinc/54/15/12/443541512.db2.gz OGILSQHGAWXDQX-KRWDZBQOSA-N 2 1 333.476 1.641 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000272266762 443574017 /nfs/dbraw/zinc/57/40/17/443574017.db2.gz NEURAADVPMYZAE-JQHSSLGASA-N 2 1 331.460 1.473 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000272266762 443574022 /nfs/dbraw/zinc/57/40/22/443574022.db2.gz NEURAADVPMYZAE-JQHSSLGASA-N 2 1 331.460 1.473 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000429447841 319931304 /nfs/dbraw/zinc/93/13/04/319931304.db2.gz SFKAOFVVSDLMEU-RTBURBONSA-N 2 1 336.451 1.992 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000279567548 443608447 /nfs/dbraw/zinc/60/84/47/443608447.db2.gz FRDOFYNRBHOUQX-SFHVURJKSA-N 2 1 328.460 1.822 20 0 EDADMP O=C(NCC[NH+]1CC=CCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279567548 443608449 /nfs/dbraw/zinc/60/84/49/443608449.db2.gz FRDOFYNRBHOUQX-SFHVURJKSA-N 2 1 328.460 1.822 20 0 EDADMP O=C(NCC[NH+]1CC=CCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279567548 443608452 /nfs/dbraw/zinc/60/84/52/443608452.db2.gz FRDOFYNRBHOUQX-SFHVURJKSA-N 2 1 328.460 1.822 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)c1C ZINC000438091307 320033547 /nfs/dbraw/zinc/03/35/47/320033547.db2.gz DZQOQYYHRXSSRA-INIZCTEOSA-N 2 1 336.480 1.837 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c1C ZINC000438091307 320033550 /nfs/dbraw/zinc/03/35/50/320033550.db2.gz DZQOQYYHRXSSRA-INIZCTEOSA-N 2 1 336.480 1.837 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c1C ZINC000438091307 320033552 /nfs/dbraw/zinc/03/35/52/320033552.db2.gz DZQOQYYHRXSSRA-INIZCTEOSA-N 2 1 336.480 1.837 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)c1C ZINC000438091307 320033555 /nfs/dbraw/zinc/03/35/55/320033555.db2.gz DZQOQYYHRXSSRA-INIZCTEOSA-N 2 1 336.480 1.837 20 0 EDADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000280110182 443665615 /nfs/dbraw/zinc/66/56/15/443665615.db2.gz FEPMXZOUMXBSDQ-OALUTQOASA-N 2 1 343.471 1.496 20 0 EDADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000280110182 443665619 /nfs/dbraw/zinc/66/56/19/443665619.db2.gz FEPMXZOUMXBSDQ-OALUTQOASA-N 2 1 343.471 1.496 20 0 EDADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000280110182 443665622 /nfs/dbraw/zinc/66/56/22/443665622.db2.gz FEPMXZOUMXBSDQ-OALUTQOASA-N 2 1 343.471 1.496 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]([C@@H](CO)C3CC3)C3CC3)cn2)CC1 ZINC000449503931 320192514 /nfs/dbraw/zinc/19/25/14/320192514.db2.gz INNYERAMMGUREM-ZWKOTPCHSA-N 2 1 345.491 1.115 20 0 EDADMP CCc1nc2ccccc2n1CC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452354916 320247776 /nfs/dbraw/zinc/24/77/76/320247776.db2.gz WNLSYIOUCGZIJR-HNNXBMFYSA-N 2 1 344.459 1.562 20 0 EDADMP C[NH+](C)CCOc1ccc(CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1 ZINC000454324423 320286485 /nfs/dbraw/zinc/28/64/85/320286485.db2.gz VSCNNPITKLFQNM-FUHWJXTLSA-N 2 1 346.475 1.473 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@@H+]1C ZINC000457481188 320327640 /nfs/dbraw/zinc/32/76/40/320327640.db2.gz DTYGEVHADJHCOG-SOLBZPMBSA-N 2 1 330.476 1.995 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1C ZINC000457481188 320327641 /nfs/dbraw/zinc/32/76/41/320327641.db2.gz DTYGEVHADJHCOG-SOLBZPMBSA-N 2 1 330.476 1.995 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1C ZINC000457481188 320327642 /nfs/dbraw/zinc/32/76/42/320327642.db2.gz DTYGEVHADJHCOG-SOLBZPMBSA-N 2 1 330.476 1.995 20 0 EDADMP CC[C@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CC[N@H+]1C[C@H](C)O ZINC000457614814 320331094 /nfs/dbraw/zinc/33/10/94/320331094.db2.gz MJLMBQQOVYYLRN-RDJZCZTQSA-N 2 1 337.508 1.555 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCCOCC2)[C@@H](C)C1 ZINC000458853018 320343174 /nfs/dbraw/zinc/34/31/74/320343174.db2.gz VZBIFKFJEZYNON-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCCOCC2)[C@@H](C)C1 ZINC000458853018 320343175 /nfs/dbraw/zinc/34/31/75/320343175.db2.gz VZBIFKFJEZYNON-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCCOCC2)[C@@H](C)C1 ZINC000458853018 320343176 /nfs/dbraw/zinc/34/31/76/320343176.db2.gz VZBIFKFJEZYNON-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](CC)CC2)[C@@H]1SC ZINC000459381241 320347935 /nfs/dbraw/zinc/34/79/35/320347935.db2.gz USUKYTOZFPOZTB-ZACQAIPSSA-N 2 1 329.554 1.903 20 0 EDADMP O=C(CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)NCC(F)F ZINC000280904542 443770927 /nfs/dbraw/zinc/77/09/27/443770927.db2.gz PYDICNIPHAHZTP-ARFHVFGLSA-N 2 1 337.414 1.868 20 0 EDADMP O=C(C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)NCC(F)F ZINC000280904542 443770931 /nfs/dbraw/zinc/77/09/31/443770931.db2.gz PYDICNIPHAHZTP-ARFHVFGLSA-N 2 1 337.414 1.868 20 0 EDADMP O=C(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)NCC(F)F ZINC000280904542 443770932 /nfs/dbraw/zinc/77/09/32/443770932.db2.gz PYDICNIPHAHZTP-ARFHVFGLSA-N 2 1 337.414 1.868 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCC[N@@H+](C)Cc2ccccc2)[NH+](C)C1 ZINC000285059475 443840774 /nfs/dbraw/zinc/84/07/74/443840774.db2.gz JWWSVEBXVBBSMN-ROUUACIJSA-N 2 1 348.491 1.479 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCC[NH+](C)Cc2ccccc2)[N@H+](C)C1 ZINC000285059475 443840777 /nfs/dbraw/zinc/84/07/77/443840777.db2.gz JWWSVEBXVBBSMN-ROUUACIJSA-N 2 1 348.491 1.479 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCC[NH+](C)Cc2ccccc2)[N@@H+](C)C1 ZINC000285059475 443840780 /nfs/dbraw/zinc/84/07/80/443840780.db2.gz JWWSVEBXVBBSMN-ROUUACIJSA-N 2 1 348.491 1.479 20 0 EDADMP C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000298862899 443887720 /nfs/dbraw/zinc/88/77/20/443887720.db2.gz GJSUBKYNMFCEKW-HNNXBMFYSA-N 2 1 334.464 1.633 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(Cc2cccnc2)CC1 ZINC000298772449 443863881 /nfs/dbraw/zinc/86/38/81/443863881.db2.gz XNLLWJFDAXJSNC-MSOLQXFVSA-N 2 1 343.475 1.536 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000277072714 443902957 /nfs/dbraw/zinc/90/29/57/443902957.db2.gz IMWQUBPNFWTICH-KRWDZBQOSA-N 2 1 344.459 1.513 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000277072714 443902961 /nfs/dbraw/zinc/90/29/61/443902961.db2.gz IMWQUBPNFWTICH-KRWDZBQOSA-N 2 1 344.459 1.513 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(CCNS(=O)(=O)c3ccccc3)C2)C1 ZINC000293112880 443928467 /nfs/dbraw/zinc/92/84/67/443928467.db2.gz YPIUJEUIGQNMSJ-QGZVFWFLSA-N 2 1 337.489 1.383 20 0 EDADMP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281515360 443931878 /nfs/dbraw/zinc/93/18/78/443931878.db2.gz RZKCGRHLLSGOCI-UHFFFAOYSA-N 2 1 340.855 1.360 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000285703007 444078612 /nfs/dbraw/zinc/07/86/12/444078612.db2.gz CEWYFUUIPFCKHI-KBAYOESNSA-N 2 1 331.460 1.534 20 0 EDADMP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285727381 444087407 /nfs/dbraw/zinc/08/74/07/444087407.db2.gz XIMOVBUUIODWKI-UXHICEINSA-N 2 1 340.471 1.842 20 0 EDADMP O[C@@H](Cn1cccn1)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285727381 444087410 /nfs/dbraw/zinc/08/74/10/444087410.db2.gz XIMOVBUUIODWKI-UXHICEINSA-N 2 1 340.471 1.842 20 0 EDADMP O[C@@H](Cn1cccn1)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285727381 444087414 /nfs/dbraw/zinc/08/74/14/444087414.db2.gz XIMOVBUUIODWKI-UXHICEINSA-N 2 1 340.471 1.842 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C)CC2)cc1 ZINC000299589044 444087575 /nfs/dbraw/zinc/08/75/75/444087575.db2.gz WACWEXKDJNPNIN-GOSISDBHSA-N 2 1 331.460 1.824 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C)CC2)cc1 ZINC000299589044 444087579 /nfs/dbraw/zinc/08/75/79/444087579.db2.gz WACWEXKDJNPNIN-GOSISDBHSA-N 2 1 331.460 1.824 20 0 EDADMP COc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000299589044 444087583 /nfs/dbraw/zinc/08/75/83/444087583.db2.gz WACWEXKDJNPNIN-GOSISDBHSA-N 2 1 331.460 1.824 20 0 EDADMP COc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000299589044 444087586 /nfs/dbraw/zinc/08/75/86/444087586.db2.gz WACWEXKDJNPNIN-GOSISDBHSA-N 2 1 331.460 1.824 20 0 EDADMP CC[NH2+]CCCNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000562800222 321076917 /nfs/dbraw/zinc/07/69/17/321076917.db2.gz AAXWCVJLDQVSBP-SFHVURJKSA-N 2 1 332.492 1.850 20 0 EDADMP C[C@H](NC(=O)Cn1ccnc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000564015484 321118992 /nfs/dbraw/zinc/11/89/92/321118992.db2.gz ZSFICMOQRZYXGO-RDJZCZTQSA-N 2 1 328.416 1.289 20 0 EDADMP C[C@H](NC(=O)Cn1ccnc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000564015484 321118994 /nfs/dbraw/zinc/11/89/94/321118994.db2.gz ZSFICMOQRZYXGO-RDJZCZTQSA-N 2 1 328.416 1.289 20 0 EDADMP O[C@H](CN[C@@H]1CC[N@@H+]2CCCC[C@H]12)COc1ccc2c(c1)OCO2 ZINC000564444816 321131951 /nfs/dbraw/zinc/13/19/51/321131951.db2.gz SXIHRYYBUUEOIT-FVQBIDKESA-N 2 1 334.416 1.371 20 0 EDADMP O[C@H](CN[C@@H]1CC[N@H+]2CCCC[C@H]12)COc1ccc2c(c1)OCO2 ZINC000564444816 321131953 /nfs/dbraw/zinc/13/19/53/321131953.db2.gz SXIHRYYBUUEOIT-FVQBIDKESA-N 2 1 334.416 1.371 20 0 EDADMP COc1ccccc1[C@@H](N)C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000564992707 321163445 /nfs/dbraw/zinc/16/34/45/321163445.db2.gz ISBFJOSYGNHNBY-JTTJXQCZSA-N 2 1 346.475 1.028 20 0 EDADMP COc1ccc(C[C@H](C)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1F ZINC000565234176 321177564 /nfs/dbraw/zinc/17/75/64/321177564.db2.gz REIYTEVWUIVJMC-NOLJZWGESA-N 2 1 335.423 1.257 20 0 EDADMP C[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000567585812 321247226 /nfs/dbraw/zinc/24/72/26/321247226.db2.gz WKZKBZXYJAFBGL-QEJZJMRPSA-N 2 1 341.402 1.375 20 0 EDADMP C[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000567585812 321247228 /nfs/dbraw/zinc/24/72/28/321247228.db2.gz WKZKBZXYJAFBGL-QEJZJMRPSA-N 2 1 341.402 1.375 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000568202705 321280293 /nfs/dbraw/zinc/28/02/93/321280293.db2.gz UCQZYSCGUCHPOF-KBAYOESNSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000568202705 321280295 /nfs/dbraw/zinc/28/02/95/321280295.db2.gz UCQZYSCGUCHPOF-KBAYOESNSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000568202705 321280296 /nfs/dbraw/zinc/28/02/96/321280296.db2.gz UCQZYSCGUCHPOF-KBAYOESNSA-N 2 1 331.460 1.080 20 0 EDADMP Cc1ccncc1CCC[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000289303394 444102148 /nfs/dbraw/zinc/10/21/48/444102148.db2.gz REBASKUKXHUKMT-SFHVURJKSA-N 2 1 332.492 1.855 20 0 EDADMP Cc1ccncc1CCC[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000289303394 444102149 /nfs/dbraw/zinc/10/21/49/444102149.db2.gz REBASKUKXHUKMT-SFHVURJKSA-N 2 1 332.492 1.855 20 0 EDADMP C[NH2+]CCC(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000285773015 444103470 /nfs/dbraw/zinc/10/34/70/444103470.db2.gz MBOWRYLXPLUQCW-UHFFFAOYSA-N 2 1 349.475 1.402 20 0 EDADMP CN(C(=O)Cn1ccnc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000570544866 321346818 /nfs/dbraw/zinc/34/68/18/321346818.db2.gz OJSYYSJBWOOHID-ZWKOTPCHSA-N 2 1 347.507 1.679 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000570943744 321365962 /nfs/dbraw/zinc/36/59/62/321365962.db2.gz SISDXXAJBDFXQN-INMHGKMJSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000570943744 321365964 /nfs/dbraw/zinc/36/59/64/321365964.db2.gz SISDXXAJBDFXQN-INMHGKMJSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000570943744 321365966 /nfs/dbraw/zinc/36/59/66/321365966.db2.gz SISDXXAJBDFXQN-INMHGKMJSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+]1CC(C)C1 ZINC000571102680 321371403 /nfs/dbraw/zinc/37/14/03/321371403.db2.gz SMZLIJSTKAXABR-LPHOPBHVSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC(C)C1 ZINC000571102680 321371404 /nfs/dbraw/zinc/37/14/04/321371404.db2.gz SMZLIJSTKAXABR-LPHOPBHVSA-N 2 1 331.460 1.080 20 0 EDADMP Cn1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(-c2ccncc2)n1 ZINC000282285903 444137671 /nfs/dbraw/zinc/13/76/71/444137671.db2.gz IPJGRUNBKGAWAC-UHFFFAOYSA-N 2 1 342.491 1.598 20 0 EDADMP CCC(CC)(CCO)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000282328302 444149684 /nfs/dbraw/zinc/14/96/84/444149684.db2.gz AOJPWVMJAVBLOI-UHFFFAOYSA-N 2 1 347.503 1.862 20 0 EDADMP CN1CC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000289477152 444154130 /nfs/dbraw/zinc/15/41/30/444154130.db2.gz XQTLLMNGWXZHAI-HKUYNNGSSA-N 2 1 330.476 1.186 20 0 EDADMP CN1CC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000289478225 444154217 /nfs/dbraw/zinc/15/42/17/444154217.db2.gz XQTLLMNGWXZHAI-PKOBYXMFSA-N 2 1 330.476 1.186 20 0 EDADMP Cc1ccccc1CCNC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289552603 444169925 /nfs/dbraw/zinc/16/99/25/444169925.db2.gz XIFZGAUZENQKPU-UHFFFAOYSA-N 2 1 348.535 1.469 20 0 EDADMP CN(CCC[N@H+](C)CC(=O)N1CCc2ccccc21)CC[NH+](C)C ZINC000289387547 444126469 /nfs/dbraw/zinc/12/64/69/444126469.db2.gz JSCWEAAIIRQVSR-UHFFFAOYSA-N 2 1 332.492 1.391 20 0 EDADMP CN(CCC[N@@H+](C)CC(=O)N1CCc2ccccc21)CC[NH+](C)C ZINC000289387547 444126472 /nfs/dbraw/zinc/12/64/72/444126472.db2.gz JSCWEAAIIRQVSR-UHFFFAOYSA-N 2 1 332.492 1.391 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2cnn(-c3ccccc3)c2)CC1(C)C ZINC000282251928 444127098 /nfs/dbraw/zinc/12/70/98/444127098.db2.gz GQRYWCMBQXUMPK-UHFFFAOYSA-N 2 1 327.476 1.988 20 0 EDADMP CCOC(=O)c1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)[nH]c1C ZINC000296661690 444246455 /nfs/dbraw/zinc/24/64/55/444246455.db2.gz FFRPZMGSXWCJGL-UHFFFAOYSA-N 2 1 336.480 1.615 20 0 EDADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]cc2C(N)=O)C1 ZINC000302848326 444227077 /nfs/dbraw/zinc/22/70/77/444227077.db2.gz HMAMBNBVYYAEIK-ZDUSSCGKSA-N 2 1 345.472 1.904 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289997080 444228699 /nfs/dbraw/zinc/22/86/99/444228699.db2.gz YTFMBHZREURNKO-WMLDXEAASA-N 2 1 337.489 1.785 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289997080 444228701 /nfs/dbraw/zinc/22/87/01/444228701.db2.gz YTFMBHZREURNKO-WMLDXEAASA-N 2 1 337.489 1.785 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N(C)CC(F)(F)F)CC1 ZINC000303295067 444236281 /nfs/dbraw/zinc/23/62/81/444236281.db2.gz OWPNXPIYASZLMO-LBPRGKRZSA-N 2 1 339.402 1.032 20 0 EDADMP CC1CC[NH+](C[C@@H](O)CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000304028245 444240455 /nfs/dbraw/zinc/24/04/55/444240455.db2.gz ZXMMGTXSCPOGAG-SFHVURJKSA-N 2 1 333.476 1.327 20 0 EDADMP CC1CC[NH+](C[C@@H](O)CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000304028245 444240458 /nfs/dbraw/zinc/24/04/58/444240458.db2.gz ZXMMGTXSCPOGAG-SFHVURJKSA-N 2 1 333.476 1.327 20 0 EDADMP O=C1CCCN1C[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000304062267 444241517 /nfs/dbraw/zinc/24/15/17/444241517.db2.gz QJGGQXMYZNVFMH-MSOLQXFVSA-N 2 1 337.508 1.558 20 0 EDADMP O=C1CCCN1C[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000304062267 444241518 /nfs/dbraw/zinc/24/15/18/444241518.db2.gz QJGGQXMYZNVFMH-MSOLQXFVSA-N 2 1 337.508 1.558 20 0 EDADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000317889093 444317639 /nfs/dbraw/zinc/31/76/39/444317639.db2.gz JDAQDHYOQJIXAM-UHFFFAOYSA-N 2 1 325.478 1.544 20 0 EDADMP COC1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000310084302 444290671 /nfs/dbraw/zinc/29/06/71/444290671.db2.gz MBSHSHWKYLGDTA-QGZVFWFLSA-N 2 1 331.460 1.393 20 0 EDADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000310021229 444290823 /nfs/dbraw/zinc/29/08/23/444290823.db2.gz BHIBEALZAKPFHS-QGZVFWFLSA-N 2 1 330.476 1.061 20 0 EDADMP CC[C@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[NH+](C)C ZINC000298131643 444425437 /nfs/dbraw/zinc/42/54/37/444425437.db2.gz BMAGLGIAXYSWSU-FGTMMUONSA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000331352190 444468205 /nfs/dbraw/zinc/46/82/05/444468205.db2.gz ONKZEVRKCJCGIJ-IAGOWNOFSA-N 2 1 339.524 1.704 20 0 EDADMP C[C@@H](CC1CCOCC1)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000340684255 444479756 /nfs/dbraw/zinc/47/97/56/444479756.db2.gz WRFMRKPSKKLOKI-DOTOQJQBSA-N 2 1 325.497 1.759 20 0 EDADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000580106407 322011395 /nfs/dbraw/zinc/01/13/95/322011395.db2.gz PBTJPGVMWQETPA-QGZVFWFLSA-N 2 1 345.491 1.906 20 0 EDADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000580106407 322011398 /nfs/dbraw/zinc/01/13/98/322011398.db2.gz PBTJPGVMWQETPA-QGZVFWFLSA-N 2 1 345.491 1.906 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000580443497 322052309 /nfs/dbraw/zinc/05/23/09/322052309.db2.gz XWDDMZJFHGXZFX-KWOWKCNFSA-N 2 1 345.491 1.659 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3([NH3+])CCC3)cc2)CC1 ZINC000580772689 322093548 /nfs/dbraw/zinc/09/35/48/322093548.db2.gz PXKFXSMNIOLFSA-UHFFFAOYSA-N 2 1 344.459 1.213 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2F)CC1)C1CC1 ZINC000580829000 322100479 /nfs/dbraw/zinc/10/04/79/322100479.db2.gz VATFOTPINMUWRF-MRXNPFEDSA-N 2 1 349.450 1.475 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2F)CC1)C1CC1 ZINC000580829000 322100481 /nfs/dbraw/zinc/10/04/81/322100481.db2.gz VATFOTPINMUWRF-MRXNPFEDSA-N 2 1 349.450 1.475 20 0 EDADMP C[N@H+]1CC[C@](O)(CN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000580873131 322105772 /nfs/dbraw/zinc/10/57/72/322105772.db2.gz QDJGWJCXJWLPKK-YRPNKDGESA-N 2 1 329.488 1.838 20 0 EDADMP C[NH+]1CC[C@](O)(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000580873131 322105773 /nfs/dbraw/zinc/10/57/73/322105773.db2.gz QDJGWJCXJWLPKK-YRPNKDGESA-N 2 1 329.488 1.838 20 0 EDADMP C[NH+]1CC[C@](O)(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000580873131 322105774 /nfs/dbraw/zinc/10/57/74/322105774.db2.gz QDJGWJCXJWLPKK-YRPNKDGESA-N 2 1 329.488 1.838 20 0 EDADMP CC(C)[C@@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000581010454 322124169 /nfs/dbraw/zinc/12/41/69/322124169.db2.gz IVJOMYBXYCMKLR-QGZVFWFLSA-N 2 1 333.480 1.566 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000581478580 322182020 /nfs/dbraw/zinc/18/20/20/322182020.db2.gz CMKFWOBLYXGJFH-SFHVURJKSA-N 2 1 346.475 1.282 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](C[C@](C)(O)C(=O)OC)CC1)CC1CC1 ZINC000343706310 444533055 /nfs/dbraw/zinc/53/30/55/444533055.db2.gz GLKOFOHMOHFZPU-SFHVURJKSA-N 2 1 326.481 1.744 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@@H](c3ccccc3F)C2)C1=O ZINC000340851473 444543211 /nfs/dbraw/zinc/54/32/11/444543211.db2.gz DBUPFCBUGPWOOQ-CZUORRHYSA-N 2 1 333.407 1.304 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)C1=O ZINC000340851473 444543215 /nfs/dbraw/zinc/54/32/15/444543215.db2.gz DBUPFCBUGPWOOQ-CZUORRHYSA-N 2 1 333.407 1.304 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[NH+](C3CCOCC3)CC1)C2 ZINC000329561807 444630251 /nfs/dbraw/zinc/63/02/51/444630251.db2.gz JICQBEMTXJVIFK-HNNXBMFYSA-N 2 1 332.448 1.077 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000340966455 444603917 /nfs/dbraw/zinc/60/39/17/444603917.db2.gz VDGFAPOBJCUMEP-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000340966455 444603919 /nfs/dbraw/zinc/60/39/19/444603919.db2.gz VDGFAPOBJCUMEP-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000340966455 444603923 /nfs/dbraw/zinc/60/39/23/444603923.db2.gz VDGFAPOBJCUMEP-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338296546 444617169 /nfs/dbraw/zinc/61/71/69/444617169.db2.gz SODSWMPNQOUKJZ-SFHVURJKSA-N 2 1 344.503 1.751 20 0 EDADMP CC[C@H]1CN(c2ccccc2)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338296546 444617171 /nfs/dbraw/zinc/61/71/71/444617171.db2.gz SODSWMPNQOUKJZ-SFHVURJKSA-N 2 1 344.503 1.751 20 0 EDADMP C[NH+]1CCC(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)(N2CCOCC2)CC1 ZINC000333266276 444652153 /nfs/dbraw/zinc/65/21/53/444652153.db2.gz JNGYHTJFSHBAAK-MOPGFXCFSA-N 3 1 344.503 1.517 20 0 EDADMP C[NH+]1CCC(C[NH2+][C@H]2C[C@@H](N)c3ccccc32)(N2CCOCC2)CC1 ZINC000333266276 444652157 /nfs/dbraw/zinc/65/21/57/444652157.db2.gz JNGYHTJFSHBAAK-MOPGFXCFSA-N 2 1 344.503 1.517 20 0 EDADMP CC1(C)CCC[NH2+][C@@H]1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333272977 444652816 /nfs/dbraw/zinc/65/28/16/444652816.db2.gz KVKZCKUELUDGHF-MRXNPFEDSA-N 2 1 337.508 1.916 20 0 EDADMP CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](CC)C(=O)OCC ZINC000338368843 444659185 /nfs/dbraw/zinc/65/91/85/444659185.db2.gz NPOGKBZFDFASSM-HNNXBMFYSA-N 2 1 327.469 1.204 20 0 EDADMP CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](CC)C(=O)OCC ZINC000338368843 444659188 /nfs/dbraw/zinc/65/91/88/444659188.db2.gz NPOGKBZFDFASSM-HNNXBMFYSA-N 2 1 327.469 1.204 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1CC1 ZINC000341084830 444665639 /nfs/dbraw/zinc/66/56/39/444665639.db2.gz JYPNODMEETZJTQ-UHFFFAOYSA-N 2 1 344.503 1.869 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000343889995 444648082 /nfs/dbraw/zinc/64/80/82/444648082.db2.gz RMGKTFNZXQOGGC-QGZVFWFLSA-N 2 1 333.480 1.327 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000343889995 444648087 /nfs/dbraw/zinc/64/80/87/444648087.db2.gz RMGKTFNZXQOGGC-QGZVFWFLSA-N 2 1 333.480 1.327 20 0 EDADMP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)[C@H]1C ZINC000333895161 444711104 /nfs/dbraw/zinc/71/11/04/444711104.db2.gz YCGKJWGHCFHDKK-WKULXVSPSA-N 2 1 349.519 1.628 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1C ZINC000341204602 444728238 /nfs/dbraw/zinc/72/82/38/444728238.db2.gz PWMOMWYKTLZMOE-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCOC[C@H]2C)C1 ZINC000341123070 444684528 /nfs/dbraw/zinc/68/45/28/444684528.db2.gz KRFPNSFJDZMHRP-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344032322 444740221 /nfs/dbraw/zinc/74/02/21/444740221.db2.gz PUUJZAPHOLVOGQ-SJORKVTESA-N 2 1 326.529 1.497 20 0 EDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000338569687 444749489 /nfs/dbraw/zinc/74/94/89/444749489.db2.gz LIOCZGYFGOGPJM-HOTGVXAUSA-N 2 1 325.497 1.534 20 0 EDADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H](C)C(=O)Nc1ncccn1 ZINC000344154356 444810740 /nfs/dbraw/zinc/81/07/40/444810740.db2.gz JEMYNFHIFSMRBB-MRXNPFEDSA-N 2 1 348.495 1.153 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H](C)C(=O)Nc1ncccn1 ZINC000344154356 444810743 /nfs/dbraw/zinc/81/07/43/444810743.db2.gz JEMYNFHIFSMRBB-MRXNPFEDSA-N 2 1 348.495 1.153 20 0 EDADMP CO[C@@H](C)c1noc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000336872878 444818134 /nfs/dbraw/zinc/81/81/34/444818134.db2.gz RBYDKCRDGGVQMC-OLZOCXBDSA-N 2 1 326.441 1.302 20 0 EDADMP CO[C@@H](C)c1noc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000336872878 444818139 /nfs/dbraw/zinc/81/81/39/444818139.db2.gz RBYDKCRDGGVQMC-OLZOCXBDSA-N 2 1 326.441 1.302 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000341470585 444848433 /nfs/dbraw/zinc/84/84/33/444848433.db2.gz YMTWLKBNOMAVFM-IYBDPMFKSA-N 2 1 328.501 1.517 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341470585 444848438 /nfs/dbraw/zinc/84/84/38/444848438.db2.gz YMTWLKBNOMAVFM-IYBDPMFKSA-N 2 1 328.501 1.517 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000341470585 444848443 /nfs/dbraw/zinc/84/84/43/444848443.db2.gz YMTWLKBNOMAVFM-IYBDPMFKSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000342781229 444864245 /nfs/dbraw/zinc/86/42/45/444864245.db2.gz NGAGBVSLCCTWBP-KXBFYZLASA-N 2 1 345.487 1.457 20 0 EDADMP C[NH+]1CCC(n2ccc(NC(=O)N3CC[N@H+]4CCCC[C@@H]4C3)n2)CC1 ZINC000330221526 444893997 /nfs/dbraw/zinc/89/39/97/444893997.db2.gz RFKOSYJLZZHOMT-MRXNPFEDSA-N 2 1 346.479 1.852 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCCOC3)CC2)C1 ZINC000342915714 444939927 /nfs/dbraw/zinc/93/99/27/444939927.db2.gz GGLFEDYWWBXYAI-MSOLQXFVSA-N 2 1 325.497 1.140 20 0 EDADMP O=C(c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)N1CCOCC1 ZINC000339066849 445017707 /nfs/dbraw/zinc/01/77/07/445017707.db2.gz KZFWUKBCNHUBFM-RTBURBONSA-N 2 1 343.471 1.875 20 0 EDADMP O=C(c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1)N1CCOCC1 ZINC000339066849 445017711 /nfs/dbraw/zinc/01/77/11/445017711.db2.gz KZFWUKBCNHUBFM-RTBURBONSA-N 2 1 343.471 1.875 20 0 EDADMP Cc1cnn(CC[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000341871530 445045774 /nfs/dbraw/zinc/04/57/74/445045774.db2.gz DCEDGKNINDCTPW-UHFFFAOYSA-N 2 1 341.503 1.941 20 0 EDADMP Cc1cnn(CC[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000341871530 445045778 /nfs/dbraw/zinc/04/57/78/445045778.db2.gz DCEDGKNINDCTPW-UHFFFAOYSA-N 2 1 341.503 1.941 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)C(C)C ZINC000343143992 445093931 /nfs/dbraw/zinc/09/39/31/445093931.db2.gz UHDDQMMNGBJKAV-CVEARBPZSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC000343143992 445093939 /nfs/dbraw/zinc/09/39/39/445093939.db2.gz UHDDQMMNGBJKAV-CVEARBPZSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CCNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000343143992 445093946 /nfs/dbraw/zinc/09/39/46/445093946.db2.gz UHDDQMMNGBJKAV-CVEARBPZSA-N 2 1 340.512 1.070 20 0 EDADMP CCc1nocc1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000339224748 445098626 /nfs/dbraw/zinc/09/86/26/445098626.db2.gz UFQQDQUNNXXOEU-UHFFFAOYSA-N 2 1 330.432 1.818 20 0 EDADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000343254285 445163194 /nfs/dbraw/zinc/16/31/94/445163194.db2.gz AZSODNQGOYMQIQ-NXWXRZEISA-N 2 1 334.460 1.481 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342095405 445169340 /nfs/dbraw/zinc/16/93/40/445169340.db2.gz GPWSAVFNWJZCOK-CSFVBSKPSA-N 2 1 344.459 1.432 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342095405 445169345 /nfs/dbraw/zinc/16/93/45/445169345.db2.gz GPWSAVFNWJZCOK-CSFVBSKPSA-N 2 1 344.459 1.432 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000339801148 445171287 /nfs/dbraw/zinc/17/12/87/445171287.db2.gz XJEZVALPLNFJCF-NXOAAHMSSA-N 2 1 327.513 1.967 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000339801148 445171291 /nfs/dbraw/zinc/17/12/91/445171291.db2.gz XJEZVALPLNFJCF-NXOAAHMSSA-N 2 1 327.513 1.967 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000339801148 445171293 /nfs/dbraw/zinc/17/12/93/445171293.db2.gz XJEZVALPLNFJCF-NXOAAHMSSA-N 2 1 327.513 1.967 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000339801148 445171294 /nfs/dbraw/zinc/17/12/94/445171294.db2.gz XJEZVALPLNFJCF-NXOAAHMSSA-N 2 1 327.513 1.967 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NC[C@H]3COc4ccccc4O3)C[C@H]21 ZINC000342102454 445173203 /nfs/dbraw/zinc/17/32/03/445173203.db2.gz MDAMCTBARXAQMH-QKPAOTATSA-N 2 1 345.443 1.002 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NC[C@H]3COc4ccccc4O3)C[C@H]21 ZINC000342102454 445173207 /nfs/dbraw/zinc/17/32/07/445173207.db2.gz MDAMCTBARXAQMH-QKPAOTATSA-N 2 1 345.443 1.002 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342114953 445179393 /nfs/dbraw/zinc/17/93/93/445179393.db2.gz XKSRWYRQRMUXEB-CWVYHPPDSA-N 2 1 336.480 1.450 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342114953 445179397 /nfs/dbraw/zinc/17/93/97/445179397.db2.gz XKSRWYRQRMUXEB-CWVYHPPDSA-N 2 1 336.480 1.450 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342122308 445184081 /nfs/dbraw/zinc/18/40/81/445184081.db2.gz BIXRWNIDGMISHD-SZMVWBNQSA-N 2 1 331.460 1.713 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCn1cc(C)cn1 ZINC000337581064 445149111 /nfs/dbraw/zinc/14/91/11/445149111.db2.gz NYLVLLXGSUICDT-KRWDZBQOSA-N 2 1 335.496 1.456 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+](C)Cc1ccccc1 ZINC000343582634 445251504 /nfs/dbraw/zinc/25/15/04/445251504.db2.gz QULPBJWJJFROHX-FUHWJXTLSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)[N@H+](C)Cc1ccccc1 ZINC000343582634 445251506 /nfs/dbraw/zinc/25/15/06/445251506.db2.gz QULPBJWJJFROHX-FUHWJXTLSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)[N@@H+](C)Cc1ccccc1 ZINC000343582634 445251511 /nfs/dbraw/zinc/25/15/11/445251511.db2.gz QULPBJWJJFROHX-FUHWJXTLSA-N 2 1 330.476 1.013 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CN(C)C[C@@H]2C)CC1 ZINC000343604532 445260170 /nfs/dbraw/zinc/26/01/70/445260170.db2.gz KURXASUKARQATD-PXNSSMCTSA-N 2 1 330.520 1.864 20 0 EDADMP C[C@H]([NH2+][C@@H]1COC[C@@H]1n1ccnn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348516166 445310760 /nfs/dbraw/zinc/31/07/60/445310760.db2.gz QANHKAZBLZYSDO-AITUJVMLSA-N 2 1 341.459 1.718 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000354507721 445270014 /nfs/dbraw/zinc/27/00/14/445270014.db2.gz JCKVQRCCZUZPBH-KRWDZBQOSA-N 2 1 336.524 1.393 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000348143286 445287670 /nfs/dbraw/zinc/28/76/70/445287670.db2.gz LYTTZNIJDSCHCR-ULQDDVLXSA-N 2 1 327.513 1.920 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351852351 445343483 /nfs/dbraw/zinc/34/34/83/445343483.db2.gz NDXXWCOOPZBVCE-ARFHVFGLSA-N 2 1 346.475 1.098 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000351853171 445344052 /nfs/dbraw/zinc/34/40/52/445344052.db2.gz OBJANMRLDNCJDO-SJLPKXTDSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000351853171 445344054 /nfs/dbraw/zinc/34/40/54/445344054.db2.gz OBJANMRLDNCJDO-SJLPKXTDSA-N 2 1 345.487 1.863 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000351860564 445345549 /nfs/dbraw/zinc/34/55/49/445345549.db2.gz JDRNGAWWMCCNRY-KCQAQPDRSA-N 2 1 337.439 1.850 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000351860564 445345550 /nfs/dbraw/zinc/34/55/50/445345550.db2.gz JDRNGAWWMCCNRY-KCQAQPDRSA-N 2 1 337.439 1.850 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000351862203 445346453 /nfs/dbraw/zinc/34/64/53/445346453.db2.gz OLZHMSQNUBWEGH-YSVLISHTSA-N 2 1 335.423 1.395 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000351862203 445346456 /nfs/dbraw/zinc/34/64/56/445346456.db2.gz OLZHMSQNUBWEGH-YSVLISHTSA-N 2 1 335.423 1.395 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351863921 445347251 /nfs/dbraw/zinc/34/72/51/445347251.db2.gz VRKHWYMBZCOXJZ-NVXWUHKLSA-N 2 1 333.476 1.802 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351863921 445347254 /nfs/dbraw/zinc/34/72/54/445347254.db2.gz VRKHWYMBZCOXJZ-NVXWUHKLSA-N 2 1 333.476 1.802 20 0 EDADMP C[NH+](C)CCCCCCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000362396773 445359439 /nfs/dbraw/zinc/35/94/39/445359439.db2.gz PUHODEOKAHGMNZ-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000348756963 445363953 /nfs/dbraw/zinc/36/39/53/445363953.db2.gz RNCGFGWBZCPJLO-DLBZAZTESA-N 2 1 333.480 1.162 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000348756963 445363958 /nfs/dbraw/zinc/36/39/58/445363958.db2.gz RNCGFGWBZCPJLO-DLBZAZTESA-N 3 1 333.480 1.162 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000348756963 445363962 /nfs/dbraw/zinc/36/39/62/445363962.db2.gz RNCGFGWBZCPJLO-DLBZAZTESA-N 3 1 333.480 1.162 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](CCNS(=O)(=O)CC)CC1)CC1CC1 ZINC000357071898 445406980 /nfs/dbraw/zinc/40/69/80/445406980.db2.gz CVVAUURJJKOBKX-UHFFFAOYSA-N 2 1 345.553 1.760 20 0 EDADMP CC(C)[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCO1 ZINC000354792721 445392258 /nfs/dbraw/zinc/39/22/58/445392258.db2.gz QEDIZLWAKKKWOD-QGZVFWFLSA-N 2 1 333.480 1.475 20 0 EDADMP CC(C)[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCO1 ZINC000354792721 445392260 /nfs/dbraw/zinc/39/22/60/445392260.db2.gz QEDIZLWAKKKWOD-QGZVFWFLSA-N 2 1 333.480 1.475 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000355406569 445458455 /nfs/dbraw/zinc/45/84/55/445458455.db2.gz DQUJVXXFFKZSFQ-KURKYZTESA-N 2 1 336.524 1.488 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000360013547 445528254 /nfs/dbraw/zinc/52/82/54/445528254.db2.gz GRFGAWPLWJQWIJ-SWLSCSKDSA-N 2 1 334.445 1.920 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000359919552 445488409 /nfs/dbraw/zinc/48/84/09/445488409.db2.gz VEHQUXKYWXRCGW-JYJNAYRXSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000359928192 445492782 /nfs/dbraw/zinc/49/27/82/445492782.db2.gz ZITICXWBDCHUSL-RBUKOAKNSA-N 2 1 345.487 1.979 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C[C@@H]3COCC[NH2+]3)c2)C[C@@H](C)O1 ZINC000357237689 445499753 /nfs/dbraw/zinc/49/97/53/445499753.db2.gz HEXCKMJFQSSDEO-IIDMSEBBSA-N 2 1 347.459 1.613 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)NC[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000355953071 445542568 /nfs/dbraw/zinc/54/25/68/445542568.db2.gz XRLNCQUCOJGVTR-KRWDZBQOSA-N 2 1 342.528 1.715 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000362916653 445608499 /nfs/dbraw/zinc/60/84/99/445608499.db2.gz CAXLNJDASUCRMM-DOTOQJQBSA-N 2 1 347.507 1.431 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000358275249 445614216 /nfs/dbraw/zinc/61/42/16/445614216.db2.gz MYYLBIZGHSNVKU-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000358275249 445614219 /nfs/dbraw/zinc/61/42/19/445614219.db2.gz MYYLBIZGHSNVKU-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000358277703 445615316 /nfs/dbraw/zinc/61/53/16/445615316.db2.gz PZLBUBPBGAMXLE-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP CCCC[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C(=O)Nc1cc(C)on1 ZINC000362937372 445616365 /nfs/dbraw/zinc/61/63/65/445616365.db2.gz YKJDITWNVQFKDT-ZIAGYGMSSA-N 2 1 331.420 2.281 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000362936443 445616390 /nfs/dbraw/zinc/61/63/90/445616390.db2.gz VNFKWBXWEPFUHS-KMFMINBZSA-N 2 1 335.448 1.124 20 0 EDADMP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000353507240 445634538 /nfs/dbraw/zinc/63/45/38/445634538.db2.gz LEQJFKCEGLPFMI-ZDUSSCGKSA-N 2 1 339.402 1.617 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000362985173 445638336 /nfs/dbraw/zinc/63/83/36/445638336.db2.gz AHYODWJFRPEZFG-XGXHKWSGSA-N 2 1 345.487 1.183 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000362985173 445638341 /nfs/dbraw/zinc/63/83/41/445638341.db2.gz AHYODWJFRPEZFG-XGXHKWSGSA-N 2 1 345.487 1.183 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000362990802 445640646 /nfs/dbraw/zinc/64/06/46/445640646.db2.gz PXMJYDRRNUNHNE-SJLPKXTDSA-N 2 1 336.524 1.201 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000349710579 445651916 /nfs/dbraw/zinc/65/19/16/445651916.db2.gz GCEPSBXANZKOSS-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C2CC2)C2CCCC2)C1 ZINC000363036210 445657411 /nfs/dbraw/zinc/65/74/11/445657411.db2.gz DMLCQFLGSZPMHM-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C2CC2)C2CCCC2)C1 ZINC000363036210 445657414 /nfs/dbraw/zinc/65/74/14/445657414.db2.gz DMLCQFLGSZPMHM-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C2CC2)C2CCCC2)C1 ZINC000363036210 445657417 /nfs/dbraw/zinc/65/74/17/445657417.db2.gz DMLCQFLGSZPMHM-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C2 ZINC000356168681 445659175 /nfs/dbraw/zinc/65/91/75/445659175.db2.gz KGFOCRSXQNRDIF-HOCLYGCPSA-N 2 1 334.464 1.371 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C2 ZINC000356168681 445659179 /nfs/dbraw/zinc/65/91/79/445659179.db2.gz KGFOCRSXQNRDIF-HOCLYGCPSA-N 2 1 334.464 1.371 20 0 EDADMP COC(=O)[C@H](C)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000358579839 445660074 /nfs/dbraw/zinc/66/00/74/445660074.db2.gz LVGXFNRXWBQPII-CQSZACIVSA-N 2 1 339.480 1.249 20 0 EDADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000363115696 445684065 /nfs/dbraw/zinc/68/40/65/445684065.db2.gz SFCYQKITDDUYOM-SFHVURJKSA-N 2 1 333.476 1.817 20 0 EDADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000363115696 445684070 /nfs/dbraw/zinc/68/40/70/445684070.db2.gz SFCYQKITDDUYOM-SFHVURJKSA-N 2 1 333.476 1.817 20 0 EDADMP COc1ccc(OC)c(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000353673166 445701485 /nfs/dbraw/zinc/70/14/85/445701485.db2.gz RPLCYYCJJYAUCU-UHFFFAOYSA-N 2 1 349.475 1.786 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000349910935 445718736 /nfs/dbraw/zinc/71/87/36/445718736.db2.gz MYXHQHWRFUKQOI-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CNC(=O)c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000363218382 445726698 /nfs/dbraw/zinc/72/66/98/445726698.db2.gz IAZCVUGAKVZQSL-SFHVURJKSA-N 2 1 330.476 1.258 20 0 EDADMP CNC(=O)c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000363218382 445726701 /nfs/dbraw/zinc/72/67/01/445726701.db2.gz IAZCVUGAKVZQSL-SFHVURJKSA-N 2 1 330.476 1.258 20 0 EDADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358723024 445743108 /nfs/dbraw/zinc/74/31/08/445743108.db2.gz OXXVUZFVVCKMQG-DNVCBOLYSA-N 2 1 348.491 1.482 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000350004625 445747471 /nfs/dbraw/zinc/74/74/71/445747471.db2.gz DUFUPKNPCYDEMQ-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000350004625 445747473 /nfs/dbraw/zinc/74/74/73/445747473.db2.gz DUFUPKNPCYDEMQ-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP CN1CCO[C@H](C[N@@H+](C)CCN2CCCOCC2)[C@H]1c1ccccc1 ZINC000361395253 445764287 /nfs/dbraw/zinc/76/42/87/445764287.db2.gz MTUOQALASBVILR-WOJBJXKFSA-N 2 1 347.503 1.712 20 0 EDADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCS(=O)(=O)N(C)C)CC1 ZINC000353864129 445788768 /nfs/dbraw/zinc/78/87/68/445788768.db2.gz ZFZPGMZKQTYVJL-GDBMZVCRSA-N 2 1 331.526 1.511 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000363441178 445805385 /nfs/dbraw/zinc/80/53/85/445805385.db2.gz DXGRYUGBKPUTLR-LNRIEFBSSA-N 2 1 333.480 2.000 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000363441178 445805388 /nfs/dbraw/zinc/80/53/88/445805388.db2.gz DXGRYUGBKPUTLR-LNRIEFBSSA-N 2 1 333.480 2.000 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C[C@H](C)O1 ZINC000358855070 445812752 /nfs/dbraw/zinc/81/27/52/445812752.db2.gz LCRCQTKNDMELFP-JKIFEVAISA-N 2 1 337.439 1.484 20 0 EDADMP Cc1nccn1CCCC[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363459230 445813969 /nfs/dbraw/zinc/81/39/69/445813969.db2.gz IVDGVOGQZQDDCO-LJQANCHMSA-N 2 1 333.524 1.931 20 0 EDADMP Cc1noc(C)c1C[NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1 ZINC000363535167 445847611 /nfs/dbraw/zinc/84/76/11/445847611.db2.gz PXQOIJXKJYTYSY-UHFFFAOYSA-N 2 1 346.479 1.765 20 0 EDADMP Cc1noc(C)c1C[NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1 ZINC000363535167 445847615 /nfs/dbraw/zinc/84/76/15/445847615.db2.gz PXQOIJXKJYTYSY-UHFFFAOYSA-N 2 1 346.479 1.765 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccnc(C[NH3+])c2)[C@@H](C)C1 ZINC000361629029 445855674 /nfs/dbraw/zinc/85/56/74/445855674.db2.gz XGVCMYBZEKMURK-YOEHRIQHSA-N 2 1 334.464 1.407 20 0 EDADMP Cc1cc(N2CC[C@H](N3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)C2=O)n(C)n1 ZINC000363577797 445859337 /nfs/dbraw/zinc/85/93/37/445859337.db2.gz SZNIHQCCCCCFBG-NXOAAHMSSA-N 2 1 343.475 1.250 20 0 EDADMP Cc1cc(N2CC[C@H]([N@H+]3C[C@@H]4[C@H]5CCCC[NH+]5C[C@H]4C3)C2=O)n(C)n1 ZINC000363577797 445859339 /nfs/dbraw/zinc/85/93/39/445859339.db2.gz SZNIHQCCCCCFBG-NXOAAHMSSA-N 2 1 343.475 1.250 20 0 EDADMP Cc1cc(N2CC[C@H]([N@@H+]3C[C@@H]4[C@H]5CCCC[NH+]5C[C@H]4C3)C2=O)n(C)n1 ZINC000363577797 445859342 /nfs/dbraw/zinc/85/93/42/445859342.db2.gz SZNIHQCCCCCFBG-NXOAAHMSSA-N 2 1 343.475 1.250 20 0 EDADMP Cc1cc(N2CC[C@H]([NH+]3C[C@@H]4[C@H]5CCCC[N@H+]5C[C@H]4C3)C2=O)n(C)n1 ZINC000363577797 445859344 /nfs/dbraw/zinc/85/93/44/445859344.db2.gz SZNIHQCCCCCFBG-NXOAAHMSSA-N 2 1 343.475 1.250 20 0 EDADMP Cc1cc(N2CC[C@H]([NH+]3C[C@@H]4[C@H]5CCCC[N@@H+]5C[C@H]4C3)C2=O)n(C)n1 ZINC000363577797 445859347 /nfs/dbraw/zinc/85/93/47/445859347.db2.gz SZNIHQCCCCCFBG-NXOAAHMSSA-N 2 1 343.475 1.250 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000354049461 445874949 /nfs/dbraw/zinc/87/49/49/445874949.db2.gz NUOUDJDLLWMRDC-HNNXBMFYSA-N 2 1 334.464 1.371 20 0 EDADMP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000356669391 445926519 /nfs/dbraw/zinc/92/65/19/445926519.db2.gz DBQMQLOMRJLBAB-JXFKEZNVSA-N 2 1 347.503 1.863 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000350732660 445892097 /nfs/dbraw/zinc/89/20/97/445892097.db2.gz QSZROMQFLMLQPC-JKSUJKDBSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)C1CC1 ZINC000364202387 445900752 /nfs/dbraw/zinc/90/07/52/445900752.db2.gz YXYYNZKBWKDCGA-DOTOQJQBSA-N 2 1 338.496 1.271 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000364787805 445955461 /nfs/dbraw/zinc/95/54/61/445955461.db2.gz IDPLJLLSQNNJCZ-LSDHHAIUSA-N 2 1 333.480 1.775 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000364787805 445955464 /nfs/dbraw/zinc/95/54/64/445955464.db2.gz IDPLJLLSQNNJCZ-LSDHHAIUSA-N 2 1 333.480 1.775 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000364787805 445955468 /nfs/dbraw/zinc/95/54/68/445955468.db2.gz IDPLJLLSQNNJCZ-LSDHHAIUSA-N 2 1 333.480 1.775 20 0 EDADMP CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000364787805 445955472 /nfs/dbraw/zinc/95/54/72/445955472.db2.gz IDPLJLLSQNNJCZ-LSDHHAIUSA-N 2 1 333.480 1.775 20 0 EDADMP COCC[C@]1(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000364850291 445963217 /nfs/dbraw/zinc/96/32/17/445963217.db2.gz KUVKNHDECYCRMY-KYHPRHEASA-N 2 1 325.497 1.485 20 0 EDADMP C[N@@H+](C[C@@H]1CC12CCN(C(=O)c1[nH]nc3c1C[NH2+]CC3)CC2)C1CC1 ZINC000364738282 445949535 /nfs/dbraw/zinc/94/95/35/445949535.db2.gz UTESOVFUAJMKCR-ZDUSSCGKSA-N 2 1 343.475 1.392 20 0 EDADMP C[N@H+](C[C@@H]1CC12CCN(C(=O)c1n[nH]c3c1C[NH2+]CC3)CC2)C1CC1 ZINC000364738282 445949538 /nfs/dbraw/zinc/94/95/38/445949538.db2.gz UTESOVFUAJMKCR-ZDUSSCGKSA-N 2 1 343.475 1.392 20 0 EDADMP C[N@@H+](C[C@@H]1CC12CCN(C(=O)c1n[nH]c3c1C[NH2+]CC3)CC2)C1CC1 ZINC000364738282 445949543 /nfs/dbraw/zinc/94/95/43/445949543.db2.gz UTESOVFUAJMKCR-ZDUSSCGKSA-N 2 1 343.475 1.392 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000369245640 446018257 /nfs/dbraw/zinc/01/82/57/446018257.db2.gz ZIGAMSRKAGGLMJ-UXLLHSPISA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000369245640 446018260 /nfs/dbraw/zinc/01/82/60/446018260.db2.gz ZIGAMSRKAGGLMJ-UXLLHSPISA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000369245640 446018264 /nfs/dbraw/zinc/01/82/64/446018264.db2.gz ZIGAMSRKAGGLMJ-UXLLHSPISA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000369245640 446018268 /nfs/dbraw/zinc/01/82/68/446018268.db2.gz ZIGAMSRKAGGLMJ-UXLLHSPISA-N 2 1 338.496 1.364 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C[C@@H]1[NH+]1CCOCC1 ZINC000356821392 446048730 /nfs/dbraw/zinc/04/87/30/446048730.db2.gz OACXEDRUHSAMGN-OAGGEKHMSA-N 2 1 325.497 1.722 20 0 EDADMP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000354252025 446047130 /nfs/dbraw/zinc/04/71/30/446047130.db2.gz BYNLIZARDNGKMS-DLBZAZTESA-N 2 1 345.491 1.389 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000354252025 446047136 /nfs/dbraw/zinc/04/71/36/446047136.db2.gz BYNLIZARDNGKMS-DLBZAZTESA-N 2 1 345.491 1.389 20 0 EDADMP COc1ccccc1N1CCC([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000583748307 326131785 /nfs/dbraw/zinc/13/17/85/326131785.db2.gz YBXYHLJVSOABNB-KRWDZBQOSA-N 2 1 333.476 1.709 20 0 EDADMP COc1ccccc1N1CCC([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000583748307 326131788 /nfs/dbraw/zinc/13/17/88/326131788.db2.gz YBXYHLJVSOABNB-KRWDZBQOSA-N 2 1 333.476 1.709 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](O)C3CCC3)CC2)CC1 ZINC000583944394 326171453 /nfs/dbraw/zinc/17/14/53/326171453.db2.gz LVVHQEGPRZSPAW-SFHVURJKSA-N 2 1 337.508 1.460 20 0 EDADMP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000584061764 326192794 /nfs/dbraw/zinc/19/27/94/326192794.db2.gz UNBGQRZDAOPAAX-UHFFFAOYSA-N 2 1 339.524 1.898 20 0 EDADMP O=C(CC[NH2+]CCCC[N@@H+]1CCC[C@H]1CO)Nc1cccc(F)c1 ZINC000584291756 326236824 /nfs/dbraw/zinc/23/68/24/326236824.db2.gz GDPVKCMSWGXMRL-KRWDZBQOSA-N 2 1 337.439 1.981 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccccc1CN1CCOCC1 ZINC000356850560 446069645 /nfs/dbraw/zinc/06/96/45/446069645.db2.gz MEVPLKRRVQWAPS-HZPDHXFCSA-N 2 1 331.460 1.683 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351486787 446088061 /nfs/dbraw/zinc/08/80/61/446088061.db2.gz AZTLWYYHCQLRSA-WAXYHTEFSA-N 2 1 331.460 1.930 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351486787 446088070 /nfs/dbraw/zinc/08/80/70/446088070.db2.gz AZTLWYYHCQLRSA-WAXYHTEFSA-N 2 1 331.460 1.930 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351472198 446072936 /nfs/dbraw/zinc/07/29/36/446072936.db2.gz AFSBNAAJPZSJBY-BBWFWOEESA-N 2 1 331.460 1.468 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351472198 446072942 /nfs/dbraw/zinc/07/29/42/446072942.db2.gz AFSBNAAJPZSJBY-BBWFWOEESA-N 2 1 331.460 1.468 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000351476519 446077853 /nfs/dbraw/zinc/07/78/53/446077853.db2.gz KYUTZKOMCIZPPG-KKUMJFAQSA-N 2 1 330.432 1.621 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000351476519 446077855 /nfs/dbraw/zinc/07/78/55/446077855.db2.gz KYUTZKOMCIZPPG-KKUMJFAQSA-N 2 1 330.432 1.621 20 0 EDADMP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351480508 446080229 /nfs/dbraw/zinc/08/02/29/446080229.db2.gz VLSGAIDWNJCMRR-LZWOXQAQSA-N 2 1 335.423 1.332 20 0 EDADMP CN(CCOc1ccccc1F)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351480508 446080234 /nfs/dbraw/zinc/08/02/34/446080234.db2.gz VLSGAIDWNJCMRR-LZWOXQAQSA-N 2 1 335.423 1.332 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CCSCC(F)(F)F)cn2)CC1 ZINC000354283513 446080594 /nfs/dbraw/zinc/08/05/94/446080594.db2.gz SFTUSXRRPJERRJ-UHFFFAOYSA-N 2 1 349.426 1.614 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000369336901 446081578 /nfs/dbraw/zinc/08/15/78/446081578.db2.gz YWKICWOJIFMAFV-SMDDNHRTSA-N 2 1 334.395 1.861 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCCc3nc4ccccc4s3)C[C@H]12 ZINC000351481647 446082599 /nfs/dbraw/zinc/08/25/99/446082599.db2.gz XWXFVXWXIQLAHI-MELADBBJSA-N 2 1 344.484 1.624 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCCc3nc4ccccc4s3)C[C@H]12 ZINC000351481647 446082602 /nfs/dbraw/zinc/08/26/02/446082602.db2.gz XWXFVXWXIQLAHI-MELADBBJSA-N 2 1 344.484 1.624 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@H+]1C ZINC000369640563 446137568 /nfs/dbraw/zinc/13/75/68/446137568.db2.gz JWDXERCFRANXHZ-DLBZAZTESA-N 2 1 337.508 1.963 20 0 EDADMP CCOc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351490716 446093354 /nfs/dbraw/zinc/09/33/54/446093354.db2.gz IWTHESASBLOMCS-CGTJXYLNSA-N 2 1 331.460 1.713 20 0 EDADMP CCOc1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351490716 446093362 /nfs/dbraw/zinc/09/33/62/446093362.db2.gz IWTHESASBLOMCS-CGTJXYLNSA-N 2 1 331.460 1.713 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCCN3C(=O)c4ccccc4C3=O)C[C@@H]12 ZINC000351497126 446102740 /nfs/dbraw/zinc/10/27/40/446102740.db2.gz SWIJLFYYQXAANO-IAOVAPTHSA-N 2 1 327.428 1.732 20 0 EDADMP CC(C)[C@H](C(=O)NCCC[NH+]1CCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000351570457 446168191 /nfs/dbraw/zinc/16/81/91/446168191.db2.gz ZZCHONLOFBHGTO-BRWVUGGUSA-N 2 1 325.497 1.722 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)[C@@H]1c1cccc(Cl)c1 ZINC000366330302 446155605 /nfs/dbraw/zinc/15/56/05/446155605.db2.gz QFDVREPGUJFFTR-KBMXLJTQSA-N 2 1 337.851 1.437 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]2CCCCC[NH2+]2)c1 ZINC000373514941 446244658 /nfs/dbraw/zinc/24/46/58/446244658.db2.gz IKWXKUXZYWIOLF-SJORKVTESA-N 2 1 344.459 1.607 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]2CCCCC[NH2+]2)c1 ZINC000373514941 446244659 /nfs/dbraw/zinc/24/46/59/446244659.db2.gz IKWXKUXZYWIOLF-SJORKVTESA-N 2 1 344.459 1.607 20 0 EDADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)C[C@H]1CCC[NH+](C)[C@@H]1c1cnn(C)c1 ZINC000351625803 446217919 /nfs/dbraw/zinc/21/79/19/446217919.db2.gz BRKSGXHUIPABST-MNEFBYGVSA-N 2 1 349.523 1.190 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000351625803 446217924 /nfs/dbraw/zinc/21/79/24/446217924.db2.gz BRKSGXHUIPABST-MNEFBYGVSA-N 2 1 349.523 1.190 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000351625803 446217926 /nfs/dbraw/zinc/21/79/26/446217926.db2.gz BRKSGXHUIPABST-MNEFBYGVSA-N 2 1 349.523 1.190 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000359457256 446234055 /nfs/dbraw/zinc/23/40/55/446234055.db2.gz IURMRKRUOGAQDR-RTBURBONSA-N 3 1 328.504 1.870 20 0 EDADMP Cc1nc2c(s1)[C@H]([N@H+](C)CCC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000373554002 446259137 /nfs/dbraw/zinc/25/91/37/446259137.db2.gz ISOZGIJUGHDBAK-OAHLLOKOSA-N 2 1 336.505 1.925 20 0 EDADMP Cc1nc2c(s1)[C@H]([N@@H+](C)CCC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000373554002 446259140 /nfs/dbraw/zinc/25/91/40/446259140.db2.gz ISOZGIJUGHDBAK-OAHLLOKOSA-N 2 1 336.505 1.925 20 0 EDADMP CSC[C@H](O)C[N@@H+](C)[C@H]1CCC[NH+](C[C@@H](O)CSC)CC1 ZINC000373600599 446277697 /nfs/dbraw/zinc/27/76/97/446277697.db2.gz DTEZKROAYQBIPZ-RRFJBIMHSA-N 2 1 336.567 1.221 20 0 EDADMP CSC[C@H](O)C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)CSC)CC1 ZINC000373600599 446277701 /nfs/dbraw/zinc/27/77/01/446277701.db2.gz DTEZKROAYQBIPZ-RRFJBIMHSA-N 2 1 336.567 1.221 20 0 EDADMP CSC[C@H](O)C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)CSC)CC1 ZINC000373600599 446277702 /nfs/dbraw/zinc/27/77/02/446277702.db2.gz DTEZKROAYQBIPZ-RRFJBIMHSA-N 2 1 336.567 1.221 20 0 EDADMP C[C@H](O)COC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000366632151 446286332 /nfs/dbraw/zinc/28/63/32/446286332.db2.gz HHNAWCMYGUMMPP-DLBZAZTESA-N 2 1 326.481 1.744 20 0 EDADMP C[C@H](O)COC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000366632151 446286335 /nfs/dbraw/zinc/28/63/35/446286335.db2.gz HHNAWCMYGUMMPP-DLBZAZTESA-N 2 1 326.481 1.744 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000359588895 446306805 /nfs/dbraw/zinc/30/68/05/446306805.db2.gz IMSCJOFIJYWYCY-NVXWUHKLSA-N 2 1 346.475 1.721 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](CC(C)(C)O)CC1 ZINC000365705098 446308709 /nfs/dbraw/zinc/30/87/09/446308709.db2.gz SZTXHMRMQUBQPA-INIZCTEOSA-N 2 1 342.528 1.595 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000365705098 446308714 /nfs/dbraw/zinc/30/87/14/446308714.db2.gz SZTXHMRMQUBQPA-INIZCTEOSA-N 2 1 342.528 1.595 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000365705098 446308715 /nfs/dbraw/zinc/30/87/15/446308715.db2.gz SZTXHMRMQUBQPA-INIZCTEOSA-N 2 1 342.528 1.595 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)N2CCOCC2)[C@@H](C)C1 ZINC000359607216 446316813 /nfs/dbraw/zinc/31/68/13/446316813.db2.gz ZPTXYWQWLKSABF-ZWKOTPCHSA-N 2 1 341.540 1.824 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000417337806 446347617 /nfs/dbraw/zinc/34/76/17/446347617.db2.gz JEVHSJLUGPVKBO-MNEFBYGVSA-N 2 1 342.487 1.827 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C(C)C ZINC000417468997 446352871 /nfs/dbraw/zinc/35/28/71/446352871.db2.gz YSXKSYWPFKOWMU-SJORKVTESA-N 2 1 340.512 1.645 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000417517445 446360709 /nfs/dbraw/zinc/36/07/09/446360709.db2.gz QERYVWHPUDQKTR-GOSISDBHSA-N 2 1 348.491 1.701 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417726928 446370597 /nfs/dbraw/zinc/37/05/97/446370597.db2.gz IJHKKUJJXUJYLD-RYRKJORJSA-N 2 1 345.491 1.328 20 0 EDADMP CC[C@@H](NC(=O)NCCCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417895488 446379002 /nfs/dbraw/zinc/37/90/02/446379002.db2.gz OLMXQJSGXSFFMR-MSOLQXFVSA-N 2 1 348.491 1.704 20 0 EDADMP CC[C@@H](NC(=O)NCCCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417895488 446379007 /nfs/dbraw/zinc/37/90/07/446379007.db2.gz OLMXQJSGXSFFMR-MSOLQXFVSA-N 2 1 348.491 1.704 20 0 EDADMP C[C@H]1C[C@@H](CCNC(=O)N2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000417922658 446387217 /nfs/dbraw/zinc/38/72/17/446387217.db2.gz JIJIYBUNZGGEMV-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP COC(=O)C(C)(C)CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374780108 446391745 /nfs/dbraw/zinc/39/17/45/446391745.db2.gz RSQBEMYOVYWSQX-HNNXBMFYSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](C)C1 ZINC000365895567 446393317 /nfs/dbraw/zinc/39/33/17/446393317.db2.gz MGIJXAGTHSTBNF-ZQIUZPCESA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](C)C1 ZINC000365895567 446393320 /nfs/dbraw/zinc/39/33/20/446393320.db2.gz MGIJXAGTHSTBNF-ZQIUZPCESA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](C)C1 ZINC000365895567 446393323 /nfs/dbraw/zinc/39/33/23/446393323.db2.gz MGIJXAGTHSTBNF-ZQIUZPCESA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](C)C1 ZINC000365895567 446393326 /nfs/dbraw/zinc/39/33/26/446393326.db2.gz MGIJXAGTHSTBNF-ZQIUZPCESA-N 2 1 329.460 1.112 20 0 EDADMP CC(C)(C[NH3+])NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418070705 446430897 /nfs/dbraw/zinc/43/08/97/446430897.db2.gz HHPOTLDVXHMNRD-MRXNPFEDSA-N 2 1 334.464 1.314 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](COc3ccccc3)C2)CC1 ZINC000374884739 446435274 /nfs/dbraw/zinc/43/52/74/446435274.db2.gz ZOAKUESDMQVUKT-SFHVURJKSA-N 2 1 345.487 1.942 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](COc3ccccc3)C2)CC1 ZINC000374884739 446435282 /nfs/dbraw/zinc/43/52/82/446435282.db2.gz ZOAKUESDMQVUKT-SFHVURJKSA-N 2 1 345.487 1.942 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000431861679 446439027 /nfs/dbraw/zinc/43/90/27/446439027.db2.gz LXYBGYOULIBLQT-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000431861679 446439031 /nfs/dbraw/zinc/43/90/31/446439031.db2.gz LXYBGYOULIBLQT-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP COc1ccc([C@H](N[C@@H]2CCC[N@@H+](CCCO)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423147750 446440561 /nfs/dbraw/zinc/44/05/61/446440561.db2.gz SSBXDLGRBJOOSD-HOJAQTOUSA-N 2 1 347.503 1.925 20 0 EDADMP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000418133032 446441589 /nfs/dbraw/zinc/44/15/89/446441589.db2.gz FNMOPFIMSFTSJY-CRAIPNDOSA-N 2 1 330.476 1.900 20 0 EDADMP C[NH2+][C@@H]1CCN(CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C1 ZINC000420276176 446444897 /nfs/dbraw/zinc/44/48/97/446444897.db2.gz RFQHIBNSNJNEEG-LJQANCHMSA-N 2 1 344.503 1.323 20 0 EDADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)n(C)n1 ZINC000417976550 446405591 /nfs/dbraw/zinc/40/55/91/446405591.db2.gz GJOYVDQDSVEQLG-SFHVURJKSA-N 2 1 328.460 1.975 20 0 EDADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)n(C)n1 ZINC000417976550 446405594 /nfs/dbraw/zinc/40/55/94/446405594.db2.gz GJOYVDQDSVEQLG-SFHVURJKSA-N 2 1 328.460 1.975 20 0 EDADMP C[NH2+]CCCNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418277931 446480905 /nfs/dbraw/zinc/48/09/05/446480905.db2.gz JZOHMYMSIHDRQX-MSOLQXFVSA-N 2 1 330.476 1.759 20 0 EDADMP COC(=O)c1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420298743 446461988 /nfs/dbraw/zinc/46/19/88/446461988.db2.gz SMSAJTUYPDLLGU-MRXNPFEDSA-N 2 1 345.443 1.117 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000376412552 446482249 /nfs/dbraw/zinc/48/22/49/446482249.db2.gz IAILDZVUMJIZTI-HUUCEWRRSA-N 2 1 331.464 1.988 20 0 EDADMP COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420323231 446489700 /nfs/dbraw/zinc/48/97/00/446489700.db2.gz FWPMUPQHELNDBT-LSDHHAIUSA-N 2 1 347.459 1.710 20 0 EDADMP COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420323231 446489703 /nfs/dbraw/zinc/48/97/03/446489703.db2.gz FWPMUPQHELNDBT-LSDHHAIUSA-N 2 1 347.459 1.710 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCCC2CCCCC2)CC12CCOCC2 ZINC000420325461 446490887 /nfs/dbraw/zinc/49/08/87/446490887.db2.gz IKPINLFYYIKGSF-QGZVFWFLSA-N 2 1 337.508 1.760 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCCC2CCCCC2)CC12CCOCC2 ZINC000420325461 446490892 /nfs/dbraw/zinc/49/08/92/446490892.db2.gz IKPINLFYYIKGSF-QGZVFWFLSA-N 2 1 337.508 1.760 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)C[C@H]1Cc1ccccc1 ZINC000418342233 446507069 /nfs/dbraw/zinc/50/70/69/446507069.db2.gz PXFAZQQDCMSHEC-QZTJIDSGSA-N 2 1 330.476 1.554 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)C[C@H]1Cc1ccccc1 ZINC000418342233 446507075 /nfs/dbraw/zinc/50/70/75/446507075.db2.gz PXFAZQQDCMSHEC-QZTJIDSGSA-N 2 1 330.476 1.554 20 0 EDADMP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420337900 446507442 /nfs/dbraw/zinc/50/74/42/446507442.db2.gz XIYWVPBCVVELSX-GJZGRUSLSA-N 2 1 347.459 1.922 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420339605 446510243 /nfs/dbraw/zinc/51/02/43/446510243.db2.gz OMTVNTXTGKDUAB-CALCHBBNSA-N 2 1 331.460 1.285 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCc3ccccc32)CC12CCOCC2 ZINC000420340280 446511332 /nfs/dbraw/zinc/51/13/32/446511332.db2.gz ZVEODMPIUXLWBF-INIZCTEOSA-N 2 1 329.444 1.263 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCc3ccccc32)CC12CCOCC2 ZINC000420340280 446511338 /nfs/dbraw/zinc/51/13/38/446511338.db2.gz ZVEODMPIUXLWBF-INIZCTEOSA-N 2 1 329.444 1.263 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423391262 446514301 /nfs/dbraw/zinc/51/43/01/446514301.db2.gz NLGOZEINZISLGO-HUUCEWRRSA-N 2 1 333.480 1.443 20 0 EDADMP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343882 446515843 /nfs/dbraw/zinc/51/58/43/446515843.db2.gz RYSRVWUZBOLWAN-RYQLBKOJSA-N 2 1 327.472 1.891 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000423360223 446500283 /nfs/dbraw/zinc/50/02/83/446500283.db2.gz QBNIXCBHOYJIHF-LSDHHAIUSA-N 2 1 333.480 1.727 20 0 EDADMP COc1ccccc1OCC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420382442 446558828 /nfs/dbraw/zinc/55/88/28/446558828.db2.gz PTQDXOADVZVBPH-OAHLLOKOSA-N 2 1 331.420 1.461 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1 ZINC000418480383 446559858 /nfs/dbraw/zinc/55/98/58/446559858.db2.gz CIMXAAHSOPEYEP-ILXRZTDVSA-N 2 1 334.464 1.303 20 0 EDADMP C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420386860 446563126 /nfs/dbraw/zinc/56/31/26/446563126.db2.gz JFSIKSHYHILLCE-NXOAAHMSSA-N 2 1 335.492 1.476 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C[C@H](C)O1 ZINC000418373587 446520055 /nfs/dbraw/zinc/52/00/55/446520055.db2.gz ZTKPDNQJOLMHAY-UXLLHSPISA-N 2 1 340.512 1.645 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C[C@H](C)O1 ZINC000418373587 446520058 /nfs/dbraw/zinc/52/00/58/446520058.db2.gz ZTKPDNQJOLMHAY-UXLLHSPISA-N 2 1 340.512 1.645 20 0 EDADMP Cn1cc([C@@H]2[C@@H](CNC(=O)CCn3ccnc3)CCC[N@H+]2C)cn1 ZINC000370920104 446521168 /nfs/dbraw/zinc/52/11/68/446521168.db2.gz ZAHIDXYQRJYXNA-PBHICJAKSA-N 2 1 330.436 1.206 20 0 EDADMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423407036 446522288 /nfs/dbraw/zinc/52/22/88/446522288.db2.gz LOXGPPPJEFSQDM-ULCPSODYSA-N 2 1 329.213 1.745 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000420391605 446566928 /nfs/dbraw/zinc/56/69/28/446566928.db2.gz OOYFEQWQTLWZJA-FHLIZLRMSA-N 2 1 348.466 1.105 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NC2CCC([NH3+])CC2)C[C@@H]1CC ZINC000418393964 446526483 /nfs/dbraw/zinc/52/64/83/446526483.db2.gz FVRIANCYQZPORA-GPANFISMSA-N 2 1 326.485 1.399 20 0 EDADMP Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)no1 ZINC000376484414 446526783 /nfs/dbraw/zinc/52/67/83/446526783.db2.gz MTVMOPCQGHTNOV-HNNXBMFYSA-N 2 1 343.431 2.449 20 0 EDADMP Cc1cc(NC(=O)CC[N@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)no1 ZINC000376484414 446526792 /nfs/dbraw/zinc/52/67/92/446526792.db2.gz MTVMOPCQGHTNOV-HNNXBMFYSA-N 2 1 343.431 2.449 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350743 446530138 /nfs/dbraw/zinc/53/01/38/446530138.db2.gz USAIDTMDHDHUQC-XJKSGUPXSA-N 2 1 336.867 1.647 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350743 446530145 /nfs/dbraw/zinc/53/01/45/446530145.db2.gz USAIDTMDHDHUQC-XJKSGUPXSA-N 2 1 336.867 1.647 20 0 EDADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000420352725 446531070 /nfs/dbraw/zinc/53/10/70/446531070.db2.gz ZTZKTNBCTPDVRK-QUCCMNQESA-N 2 1 342.487 1.233 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000420352725 446531078 /nfs/dbraw/zinc/53/10/78/446531078.db2.gz ZTZKTNBCTPDVRK-QUCCMNQESA-N 2 1 342.487 1.233 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000433137837 446536060 /nfs/dbraw/zinc/53/60/60/446536060.db2.gz VDCFQWMCIXMIDJ-RDJZCZTQSA-N 2 1 346.475 1.553 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418431799 446541953 /nfs/dbraw/zinc/54/19/53/446541953.db2.gz RIALAWQJTNBAOP-QGZVFWFLSA-N 2 1 334.464 1.439 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000418432933 446542626 /nfs/dbraw/zinc/54/26/26/446542626.db2.gz BEZBDIJSJCJLEG-UHFFFAOYSA-N 2 1 327.517 1.219 20 0 EDADMP CC[C@H](c1ccccc1)[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)OC ZINC000420365680 446546476 /nfs/dbraw/zinc/54/64/76/446546476.db2.gz FDSHLRARVXPFTC-QGZVFWFLSA-N 2 1 347.459 1.435 20 0 EDADMP CC[C@H](c1ccccc1)[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)OC ZINC000420365680 446546484 /nfs/dbraw/zinc/54/64/84/446546484.db2.gz FDSHLRARVXPFTC-QGZVFWFLSA-N 2 1 347.459 1.435 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]CC1 ZINC000423474068 446549974 /nfs/dbraw/zinc/54/99/74/446549974.db2.gz JHTOLXAPAVZIRO-CHWSQXEVSA-N 3 1 333.423 1.142 20 0 EDADMP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000453202076 446550699 /nfs/dbraw/zinc/55/06/99/446550699.db2.gz YEUACLVVTHMDMV-QFBILLFUSA-N 2 1 348.487 1.927 20 0 EDADMP O=C(CC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1)N1CC[NH2+]CC1 ZINC000420373144 446550897 /nfs/dbraw/zinc/55/08/97/446550897.db2.gz MCCDRQWMIBHNPJ-AWEZNQCLSA-N 2 1 337.851 1.615 20 0 EDADMP O[C@H](COCC(F)(F)F)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367927659 446610490 /nfs/dbraw/zinc/61/04/90/446610490.db2.gz QGIINVOVYVHRHL-SNPRPXQTSA-N 2 1 336.398 1.875 20 0 EDADMP O[C@H](COCC(F)(F)F)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000367927659 446610494 /nfs/dbraw/zinc/61/04/94/446610494.db2.gz QGIINVOVYVHRHL-SNPRPXQTSA-N 2 1 336.398 1.875 20 0 EDADMP O[C@H](COCC(F)(F)F)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000367927659 446610502 /nfs/dbraw/zinc/61/05/02/446610502.db2.gz QGIINVOVYVHRHL-SNPRPXQTSA-N 2 1 336.398 1.875 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000418609437 446614780 /nfs/dbraw/zinc/61/47/80/446614780.db2.gz SMHDNZKHLSTRPQ-DDBAPUKQSA-N 2 1 346.475 1.062 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000376632367 446618130 /nfs/dbraw/zinc/61/81/30/446618130.db2.gz MCJILUOEWDVIMQ-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418510243 446573761 /nfs/dbraw/zinc/57/37/61/446573761.db2.gz HVPYDJWLDJZYOM-AWEZNQCLSA-N 2 1 340.418 1.886 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418510243 446573768 /nfs/dbraw/zinc/57/37/68/446573768.db2.gz HVPYDJWLDJZYOM-AWEZNQCLSA-N 2 1 340.418 1.886 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH3+] ZINC000418515804 446576035 /nfs/dbraw/zinc/57/60/35/446576035.db2.gz WQLFKVOAQUOYDD-QGZVFWFLSA-N 2 1 333.480 1.816 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000433465002 446576835 /nfs/dbraw/zinc/57/68/35/446576835.db2.gz FGDTVOXWZHHOJG-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000433465002 446576840 /nfs/dbraw/zinc/57/68/40/446576840.db2.gz FGDTVOXWZHHOJG-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000433465002 446576844 /nfs/dbraw/zinc/57/68/44/446576844.db2.gz FGDTVOXWZHHOJG-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418529359 446581437 /nfs/dbraw/zinc/58/14/37/446581437.db2.gz TXCRPLCWDHBGBX-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420409403 446582557 /nfs/dbraw/zinc/58/25/57/446582557.db2.gz VNULWNPIQZDDHT-OLMNPRSZSA-N 2 1 328.460 1.968 20 0 EDADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC(F)(F)C[NH3+])cc1 ZINC000418543684 446588539 /nfs/dbraw/zinc/58/85/39/446588539.db2.gz IDXSHLIHEYMTCQ-KBPBESRZSA-N 2 1 342.390 1.034 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]2)CC[N@H+]1CCOC ZINC000418555162 446592721 /nfs/dbraw/zinc/59/27/21/446592721.db2.gz VZQPZJANWNGUSY-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@H]1CN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC[N@H+](C2CC2)C1 ZINC000418567019 446598042 /nfs/dbraw/zinc/59/80/42/446598042.db2.gz AQSZMVJJLRPQJC-CQSZACIVSA-N 2 1 328.460 1.916 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)CCCC[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000418671994 446644301 /nfs/dbraw/zinc/64/43/01/446644301.db2.gz LQTVDJBUHNOARJ-OAGGEKHMSA-N 2 1 326.485 1.256 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000418683217 446646737 /nfs/dbraw/zinc/64/67/37/446646737.db2.gz JOLJFZZOGNUXHE-INDMIFKZSA-N 2 1 342.487 1.868 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418690491 446649243 /nfs/dbraw/zinc/64/92/43/446649243.db2.gz XFBSOHOCWDOOKN-LAVFITLUSA-N 2 1 328.460 1.620 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418699946 446653090 /nfs/dbraw/zinc/65/30/90/446653090.db2.gz OFDNCYXSDGGWMH-BFYDXBDKSA-N 2 1 333.480 1.813 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3ccncc3)C2)CC1 ZINC000411729627 446660869 /nfs/dbraw/zinc/66/08/69/446660869.db2.gz MZPZJDSRFZPDKA-QGZVFWFLSA-N 2 1 330.476 1.862 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3ccncc3)C2)CC1 ZINC000411729627 446660877 /nfs/dbraw/zinc/66/08/77/446660877.db2.gz MZPZJDSRFZPDKA-QGZVFWFLSA-N 2 1 330.476 1.862 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000371090871 446623790 /nfs/dbraw/zinc/62/37/90/446623790.db2.gz YXFVRRPPUCSIOC-QGZVFWFLSA-N 2 1 334.464 1.441 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000371090871 446623795 /nfs/dbraw/zinc/62/37/95/446623795.db2.gz YXFVRRPPUCSIOC-QGZVFWFLSA-N 2 1 334.464 1.441 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000371090871 446623801 /nfs/dbraw/zinc/62/38/01/446623801.db2.gz YXFVRRPPUCSIOC-QGZVFWFLSA-N 2 1 334.464 1.441 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371090871 446623804 /nfs/dbraw/zinc/62/38/04/446623804.db2.gz YXFVRRPPUCSIOC-QGZVFWFLSA-N 2 1 334.464 1.441 20 0 EDADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CCC[N@@H+](C)CC3)ccc21 ZINC000453727206 446625850 /nfs/dbraw/zinc/62/58/50/446625850.db2.gz YGCYPBZNYNFYTF-KRWDZBQOSA-N 2 1 344.459 1.338 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CN1CCOCC1 ZINC000376652429 446630106 /nfs/dbraw/zinc/63/01/06/446630106.db2.gz QFIBSGOUQOPTFG-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000376652429 446630117 /nfs/dbraw/zinc/63/01/17/446630117.db2.gz QFIBSGOUQOPTFG-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](CNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000435346057 446692019 /nfs/dbraw/zinc/69/20/19/446692019.db2.gz OJWDIKKHBPKIHP-HZPDHXFCSA-N 2 1 333.480 2.457 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000435346057 446692024 /nfs/dbraw/zinc/69/20/24/446692024.db2.gz OJWDIKKHBPKIHP-HZPDHXFCSA-N 2 1 333.480 2.457 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)C3(C[NH3+])CCCC3)CC2)cn1 ZINC000423763458 446693363 /nfs/dbraw/zinc/69/33/63/446693363.db2.gz USHYFXZUWHAMIU-UHFFFAOYSA-N 2 1 333.480 1.456 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)C3(C[NH3+])CCCC3)CC2)cn1 ZINC000423763458 446693370 /nfs/dbraw/zinc/69/33/70/446693370.db2.gz USHYFXZUWHAMIU-UHFFFAOYSA-N 2 1 333.480 1.456 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000376780879 446714782 /nfs/dbraw/zinc/71/47/82/446714782.db2.gz ZYXSBFWXWVBWEX-WCXIOVBPSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000376780878 446715223 /nfs/dbraw/zinc/71/52/23/446715223.db2.gz ZYXSBFWXWVBWEX-QBPKDAKJSA-N 2 1 336.480 1.118 20 0 EDADMP CC[C@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000423826538 446716571 /nfs/dbraw/zinc/71/65/71/446716571.db2.gz OZQACLNROZHHDO-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CC[C@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000423826538 446716580 /nfs/dbraw/zinc/71/65/80/446716580.db2.gz OZQACLNROZHHDO-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H](C)C3C[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000423832213 446720839 /nfs/dbraw/zinc/72/08/39/446720839.db2.gz RQNVEGOGHNOUEN-MJXNMMHHSA-N 2 1 343.471 1.945 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000423749942 446680167 /nfs/dbraw/zinc/68/01/67/446680167.db2.gz WOSMBWFBVUSAFU-KURKYZTESA-N 2 1 336.524 1.523 20 0 EDADMP CC[N@H+]1CCCN(C(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000368266445 446748816 /nfs/dbraw/zinc/74/88/16/446748816.db2.gz MPXYBIKTQKFNGK-UHFFFAOYSA-N 2 1 349.479 1.259 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC(C)(C)C[C@@H]2C)C1 ZINC000412019894 446788175 /nfs/dbraw/zinc/78/81/75/446788175.db2.gz GRNIBTWAGXYLFD-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC(C)(C)C[C@@H]2C)C1 ZINC000412019894 446788176 /nfs/dbraw/zinc/78/81/76/446788176.db2.gz GRNIBTWAGXYLFD-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC(C)(C)C[C@@H]2C)C1 ZINC000412019894 446788179 /nfs/dbraw/zinc/78/81/79/446788179.db2.gz GRNIBTWAGXYLFD-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000418940167 446813321 /nfs/dbraw/zinc/81/33/21/446813321.db2.gz GNOXUTGOMJNSAI-RDJZCZTQSA-N 2 1 348.491 1.113 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000424002431 446818070 /nfs/dbraw/zinc/81/80/70/446818070.db2.gz QGHWPTBLBKFTFS-KSWRQPAISA-N 2 1 325.497 1.564 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000424002431 446818078 /nfs/dbraw/zinc/81/80/78/446818078.db2.gz QGHWPTBLBKFTFS-KSWRQPAISA-N 2 1 325.497 1.564 20 0 EDADMP CCC[N@@H+](C)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424018510 446824982 /nfs/dbraw/zinc/82/49/82/446824982.db2.gz JJURLNBZUJJEQQ-UHFFFAOYSA-N 3 1 332.492 1.438 20 0 EDADMP CCC[N@H+](C)CC(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424018510 446824988 /nfs/dbraw/zinc/82/49/88/446824988.db2.gz JJURLNBZUJJEQQ-UHFFFAOYSA-N 2 1 332.492 1.438 20 0 EDADMP CCC[N@@H+](C)CC(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424018510 446824996 /nfs/dbraw/zinc/82/49/96/446824996.db2.gz JJURLNBZUJJEQQ-UHFFFAOYSA-N 2 1 332.492 1.438 20 0 EDADMP C[C@@H]1[C@H](CO)CCC[NH+]1CCOCC[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412077328 446838210 /nfs/dbraw/zinc/83/82/10/446838210.db2.gz JWKFBUHKHXFKHU-FZDBZEDMSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@@H]1[C@H](CO)CCC[N@H+]1CCOCC[NH+]1CCC[C@H](CO)[C@@H]1C ZINC000412077328 446838212 /nfs/dbraw/zinc/83/82/12/446838212.db2.gz JWKFBUHKHXFKHU-FZDBZEDMSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@@H]1[C@H](CO)CCC[N@@H+]1CCOCC[NH+]1CCC[C@H](CO)[C@@H]1C ZINC000412077328 446838214 /nfs/dbraw/zinc/83/82/14/446838214.db2.gz JWKFBUHKHXFKHU-FZDBZEDMSA-N 2 1 328.497 1.189 20 0 EDADMP C[N@@H+](CCCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000418985761 446848922 /nfs/dbraw/zinc/84/89/22/446848922.db2.gz FUBYDYTVSXGXPV-MRXNPFEDSA-N 2 1 338.496 1.001 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C(C)(C)CN2CCOCC2)CC1 ZINC000412090777 446851526 /nfs/dbraw/zinc/85/15/26/446851526.db2.gz GRMFLVHYIRLLRE-UHFFFAOYSA-N 2 1 340.556 1.445 20 0 EDADMP CO[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000368427000 446857350 /nfs/dbraw/zinc/85/73/50/446857350.db2.gz PRIWRNVGVIPPGC-ROUUACIJSA-N 2 1 333.476 1.906 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CCN1C1CC[NH+](C)CC1 ZINC000371461573 446871534 /nfs/dbraw/zinc/87/15/34/446871534.db2.gz YVHFPOAWFNFZOQ-HNNXBMFYSA-N 2 1 330.476 1.386 20 0 EDADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000377031563 446872671 /nfs/dbraw/zinc/87/26/71/446872671.db2.gz KAWAQQQIXSXEFK-PKOBYXMFSA-N 2 1 337.556 1.418 20 0 EDADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000377031563 446872674 /nfs/dbraw/zinc/87/26/74/446872674.db2.gz KAWAQQQIXSXEFK-PKOBYXMFSA-N 2 1 337.556 1.418 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1(C)C ZINC000375615359 446926372 /nfs/dbraw/zinc/92/63/72/446926372.db2.gz YXXWMXJWANBRSL-UHFFFAOYSA-N 2 1 348.491 1.500 20 0 EDADMP CCCCCCNC(=O)C[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000371556742 446929983 /nfs/dbraw/zinc/92/99/83/446929983.db2.gz CVYWQQQWTSYQKX-UHFFFAOYSA-N 2 1 349.523 1.976 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000442779474 446965771 /nfs/dbraw/zinc/96/57/71/446965771.db2.gz LNUYMEUYDYJPCW-WCQYABFASA-N 2 1 327.375 1.573 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000442779474 446965780 /nfs/dbraw/zinc/96/57/80/446965780.db2.gz LNUYMEUYDYJPCW-WCQYABFASA-N 2 1 327.375 1.573 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000454967092 447015133 /nfs/dbraw/zinc/01/51/33/447015133.db2.gz WJETZXGFFLZOFL-XGXHKWSGSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000454967092 447015136 /nfs/dbraw/zinc/01/51/36/447015136.db2.gz WJETZXGFFLZOFL-XGXHKWSGSA-N 2 1 342.487 1.995 20 0 EDADMP Cc1cc([C@H]2CCCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)[nH]n1 ZINC000368663891 447015300 /nfs/dbraw/zinc/01/53/00/447015300.db2.gz SAJOTNHEHUFVGP-INIZCTEOSA-N 2 1 347.507 1.887 20 0 EDADMP Cc1cc([C@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC000368663891 447015306 /nfs/dbraw/zinc/01/53/06/447015306.db2.gz SAJOTNHEHUFVGP-INIZCTEOSA-N 2 1 347.507 1.887 20 0 EDADMP Cc1cc([C@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC000368663891 447015313 /nfs/dbraw/zinc/01/53/13/447015313.db2.gz SAJOTNHEHUFVGP-INIZCTEOSA-N 2 1 347.507 1.887 20 0 EDADMP Cc1cc([C@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)[nH]n1 ZINC000368663891 447015316 /nfs/dbraw/zinc/01/53/16/447015316.db2.gz SAJOTNHEHUFVGP-INIZCTEOSA-N 2 1 347.507 1.887 20 0 EDADMP Cc1cc([C@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)[nH]n1 ZINC000368663891 447015322 /nfs/dbraw/zinc/01/53/22/447015322.db2.gz SAJOTNHEHUFVGP-INIZCTEOSA-N 2 1 347.507 1.887 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000371967567 446979321 /nfs/dbraw/zinc/97/93/21/446979321.db2.gz SHYCBZNGMOPPAX-PSOLEGPJSA-N 2 1 332.492 1.595 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371967567 446979327 /nfs/dbraw/zinc/97/93/27/446979327.db2.gz SHYCBZNGMOPPAX-PSOLEGPJSA-N 2 1 332.492 1.595 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371967567 446979334 /nfs/dbraw/zinc/97/93/34/446979334.db2.gz SHYCBZNGMOPPAX-PSOLEGPJSA-N 2 1 332.492 1.595 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000425007278 446989129 /nfs/dbraw/zinc/98/91/29/446989129.db2.gz YXWUAICEBQONSZ-UHFFFAOYSA-N 2 1 333.476 1.931 20 0 EDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000443057171 446999181 /nfs/dbraw/zinc/99/91/81/446999181.db2.gz FUABROYVTSBALF-INIZCTEOSA-N 2 1 325.497 1.903 20 0 EDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000443058318 447000180 /nfs/dbraw/zinc/00/01/80/447000180.db2.gz KAAJFMYFPNRTCW-INIZCTEOSA-N 2 1 348.466 1.535 20 0 EDADMP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062358 447001754 /nfs/dbraw/zinc/00/17/54/447001754.db2.gz UNDMECIFIFDWGM-KBPBESRZSA-N 2 1 330.432 1.421 20 0 EDADMP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062362 447002794 /nfs/dbraw/zinc/00/27/94/447002794.db2.gz UNDMECIFIFDWGM-UONOGXRCSA-N 2 1 330.432 1.421 20 0 EDADMP CCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000375784081 447043715 /nfs/dbraw/zinc/04/37/15/447043715.db2.gz AWNHYZCOFMTTSS-GDBMZVCRSA-N 2 1 333.480 1.957 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000372367314 447050028 /nfs/dbraw/zinc/05/00/28/447050028.db2.gz GIDZRVSWTUXHBP-GOSISDBHSA-N 2 1 344.503 1.506 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)C1 ZINC000368720979 447065279 /nfs/dbraw/zinc/06/52/79/447065279.db2.gz CHXSKVSBRPKRHD-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000425427798 447158122 /nfs/dbraw/zinc/15/81/22/447158122.db2.gz VIHDTMOLGWBCEW-CVEARBPZSA-N 2 1 325.497 1.819 20 0 EDADMP CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375893581 447126889 /nfs/dbraw/zinc/12/68/89/447126889.db2.gz ZZQQEIJNAHQZCJ-SJORKVTESA-N 2 1 325.497 1.819 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000445875630 447201100 /nfs/dbraw/zinc/20/11/00/447201100.db2.gz OWUVTDSGDYIBTG-GASCZTMLSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000445875630 447201108 /nfs/dbraw/zinc/20/11/08/447201108.db2.gz OWUVTDSGDYIBTG-GASCZTMLSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000377566533 447209566 /nfs/dbraw/zinc/20/95/66/447209566.db2.gz VFNVUUJYJWBSTC-IDCNUPLLSA-N 2 1 330.476 1.796 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419478406 447210872 /nfs/dbraw/zinc/21/08/72/447210872.db2.gz JOLWKXQAPUOTCS-HOTGVXAUSA-N 2 1 338.496 1.097 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C[N@H+]1CCO ZINC000419432820 447172350 /nfs/dbraw/zinc/17/23/50/447172350.db2.gz YMWJEEHESVCQDY-CABCVRRESA-N 2 1 340.512 1.346 20 0 EDADMP c1nnc([C@@H]2CC[NH+](CCCCC[N@H+]3CC[C@@H](c4nnc[nH]4)C3)C2)[nH]1 ZINC000425541560 447219986 /nfs/dbraw/zinc/21/99/86/447219986.db2.gz GHXTXBUITJGQTA-HUUCEWRRSA-N 2 1 344.467 1.372 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2CCNC2=O)cc1F ZINC000377587985 447226332 /nfs/dbraw/zinc/22/63/32/447226332.db2.gz DGJGTVLBMTYMSV-LBPRGKRZSA-N 2 1 331.395 1.996 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376041421 447229267 /nfs/dbraw/zinc/22/92/67/447229267.db2.gz GWYLJGUDRVIKKC-UHFFFAOYSA-N 2 1 336.484 2.003 20 0 EDADMP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000414312690 447290319 /nfs/dbraw/zinc/29/03/19/447290319.db2.gz NZFQVZNYPWFJKP-QWHCGFSZSA-N 2 1 343.880 1.704 20 0 EDADMP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000414312690 447290326 /nfs/dbraw/zinc/29/03/26/447290326.db2.gz NZFQVZNYPWFJKP-QWHCGFSZSA-N 2 1 343.880 1.704 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc(N(C)C)n2C)[C@@H](C)C1 ZINC000414392172 447293776 /nfs/dbraw/zinc/29/37/76/447293776.db2.gz MIDOUYMAPPLPAW-RDJZCZTQSA-N 2 1 337.512 1.713 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc(N(C)C)n2C)[C@@H](C)C1 ZINC000414392172 447293783 /nfs/dbraw/zinc/29/37/83/447293783.db2.gz MIDOUYMAPPLPAW-RDJZCZTQSA-N 2 1 337.512 1.713 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425660664 447258371 /nfs/dbraw/zinc/25/83/71/447258371.db2.gz MBAVWEQVDNUOSV-IPMKNSEASA-N 2 1 344.503 1.895 20 0 EDADMP COC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000446836917 447258530 /nfs/dbraw/zinc/25/85/30/447258530.db2.gz WWPHBUHRTZETJC-VQTJNVASSA-N 2 1 348.487 1.655 20 0 EDADMP COC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000446836917 447258535 /nfs/dbraw/zinc/25/85/35/447258535.db2.gz WWPHBUHRTZETJC-VQTJNVASSA-N 2 1 348.487 1.655 20 0 EDADMP CC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n(C)c1 ZINC000377639745 447264799 /nfs/dbraw/zinc/26/47/99/447264799.db2.gz KOWSBKHSJBBKFY-QGZVFWFLSA-N 2 1 346.475 1.468 20 0 EDADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000495381612 447498709 /nfs/dbraw/zinc/49/87/09/447498709.db2.gz BNKIXEGKISYXRV-RVKKMQEKSA-N 2 1 341.496 1.821 20 0 EDADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000495381612 447498713 /nfs/dbraw/zinc/49/87/13/447498713.db2.gz BNKIXEGKISYXRV-RVKKMQEKSA-N 2 1 341.496 1.821 20 0 EDADMP CC[C@@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC[NH2+]1 ZINC000390906582 447506767 /nfs/dbraw/zinc/50/67/67/447506767.db2.gz USXVKTJNUMXHPK-QUCCMNQESA-N 2 1 345.487 1.926 20 0 EDADMP O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000427286069 447574388 /nfs/dbraw/zinc/57/43/88/447574388.db2.gz CERVRDPYONULSP-KRWDZBQOSA-N 2 1 345.487 1.915 20 0 EDADMP COCCOC[C@H](O)C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000450786366 447576776 /nfs/dbraw/zinc/57/67/76/447576776.db2.gz PTAUXFVIZIVMPS-HZPDHXFCSA-N 2 1 337.464 1.341 20 0 EDADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000450786366 447576778 /nfs/dbraw/zinc/57/67/78/447576778.db2.gz PTAUXFVIZIVMPS-HZPDHXFCSA-N 2 1 337.464 1.341 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000457515319 447584780 /nfs/dbraw/zinc/58/47/80/447584780.db2.gz WLVCLJHMFZKIFR-IYBDPMFKSA-N 2 1 333.480 1.209 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000457515319 447584785 /nfs/dbraw/zinc/58/47/85/447584785.db2.gz WLVCLJHMFZKIFR-IYBDPMFKSA-N 2 1 333.480 1.209 20 0 EDADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416007608 447530319 /nfs/dbraw/zinc/53/03/19/447530319.db2.gz NBXVISXZAHMTQK-VXGBXAGGSA-N 2 1 333.358 1.645 20 0 EDADMP C[C@@H]1C[NH+](Cc2cc(Cl)cc(C[N@@H+]3C[C@H](O)[C@@H](C)C3)c2)C[C@@H]1O ZINC000450645251 447546793 /nfs/dbraw/zinc/54/67/93/447546793.db2.gz GZDNRYSBHVOGAH-GGNLRSJOSA-N 2 1 338.879 1.965 20 0 EDADMP COC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000398106477 447555839 /nfs/dbraw/zinc/55/58/39/447555839.db2.gz BNODITHIRSXEAS-WMZOPIPTSA-N 2 1 345.487 1.782 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000420086835 447593380 /nfs/dbraw/zinc/59/33/80/447593380.db2.gz ZMXKYRTZMJDVIT-CABCVRRESA-N 2 1 338.496 1.094 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000457633655 447603971 /nfs/dbraw/zinc/60/39/71/447603971.db2.gz HBKAEOZBDDDVQI-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000408126976 447631560 /nfs/dbraw/zinc/63/15/60/447631560.db2.gz UBOXQOYCWBIVCC-ZBFHGGJFSA-N 2 1 331.526 1.366 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000408126976 447631568 /nfs/dbraw/zinc/63/15/68/447631568.db2.gz UBOXQOYCWBIVCC-ZBFHGGJFSA-N 2 1 331.526 1.366 20 0 EDADMP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000416838086 447694767 /nfs/dbraw/zinc/69/47/67/447694767.db2.gz ISNBHKKMNAMUJZ-NJAFHUGGSA-N 2 1 330.476 1.887 20 0 EDADMP CCCN(C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000416870075 447699366 /nfs/dbraw/zinc/69/93/66/447699366.db2.gz NXBHSZXUBHOUAJ-QGZVFWFLSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000416934128 447714745 /nfs/dbraw/zinc/71/47/45/447714745.db2.gz DCESIPCCZHEGQZ-DLBZAZTESA-N 2 1 340.512 1.550 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000416934701 447714890 /nfs/dbraw/zinc/71/48/90/447714890.db2.gz DXUFZXODCSKHJK-SJORKVTESA-N 2 1 340.512 1.504 20 0 EDADMP C[NH+](C)CCOc1ccccc1CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422833927 447763776 /nfs/dbraw/zinc/76/37/76/447763776.db2.gz ZESWQGJRAOFXJM-MOPGFXCFSA-N 2 1 333.476 1.484 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000416941520 447718621 /nfs/dbraw/zinc/71/86/21/447718621.db2.gz AAFQBFLMWRKVTL-ULQDDVLXSA-N 2 1 339.528 1.075 20 0 EDADMP [NH3+]CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000422701422 447720909 /nfs/dbraw/zinc/72/09/09/447720909.db2.gz BXSBQCQQXMRGFY-ZIAGYGMSSA-N 2 1 329.366 1.762 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CN[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422719310 447728102 /nfs/dbraw/zinc/72/81/02/447728102.db2.gz YKJZZSCCNZPVBO-APWZRJJASA-N 2 1 335.492 1.731 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000458164590 447732818 /nfs/dbraw/zinc/73/28/18/447732818.db2.gz KGBKEPRLMDHOBF-BDXSIMOUSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000458164590 447732821 /nfs/dbraw/zinc/73/28/21/447732821.db2.gz KGBKEPRLMDHOBF-BDXSIMOUSA-N 2 1 339.524 1.968 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)ccn2)CC1 ZINC000458179378 447736941 /nfs/dbraw/zinc/73/69/41/447736941.db2.gz YAOMJQWXAXOEOH-INIZCTEOSA-N 2 1 345.491 1.295 20 0 EDADMP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417272735 447740690 /nfs/dbraw/zinc/74/06/90/447740690.db2.gz VJORVAVWGOHEPR-RKVPGOIHSA-N 2 1 346.475 1.538 20 0 EDADMP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417272735 447740698 /nfs/dbraw/zinc/74/06/98/447740698.db2.gz VJORVAVWGOHEPR-RKVPGOIHSA-N 2 1 346.475 1.538 20 0 EDADMP CC[C@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422840102 447765842 /nfs/dbraw/zinc/76/58/42/447765842.db2.gz AZHOIMGZJWBION-OALUTQOASA-N 2 1 344.503 1.846 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+]C2(C3CCC3)CCC2)C1 ZINC000459752247 447756537 /nfs/dbraw/zinc/75/65/37/447756537.db2.gz BHHMYCPKWTYPIK-KRWDZBQOSA-N 2 1 337.508 1.772 20 0 EDADMP CN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000422820108 447758217 /nfs/dbraw/zinc/75/82/17/447758217.db2.gz OXSXZMHQTHVWDV-GBESFXJTSA-N 2 1 343.519 1.844 20 0 EDADMP C[NH+](C)CCOc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422894931 447770670 /nfs/dbraw/zinc/77/06/70/447770670.db2.gz DMXVPFGLOHWXPK-SLFFLAALSA-N 2 1 347.503 1.874 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000430553641 447776947 /nfs/dbraw/zinc/77/69/47/447776947.db2.gz UJYHFLHEKFSPEL-YJBOKZPZSA-N 2 1 333.476 1.899 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000430553641 447776952 /nfs/dbraw/zinc/77/69/52/447776952.db2.gz UJYHFLHEKFSPEL-YJBOKZPZSA-N 2 1 333.476 1.899 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccccc2F)C1 ZINC000430555448 447777264 /nfs/dbraw/zinc/77/72/64/447777264.db2.gz XKTIFNGVRSOQIP-GJZGRUSLSA-N 2 1 337.439 1.722 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)CCOc2ccccc2F)C1 ZINC000430555448 447777267 /nfs/dbraw/zinc/77/72/67/447777267.db2.gz XKTIFNGVRSOQIP-GJZGRUSLSA-N 2 1 337.439 1.722 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])ccc1OCC(=O)N(C)C ZINC000422947585 447777684 /nfs/dbraw/zinc/77/76/84/447777684.db2.gz YMWOAVJUIPTNCN-JKSUJKDBSA-N 2 1 349.475 1.912 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000462614341 447800328 /nfs/dbraw/zinc/80/03/28/447800328.db2.gz GKMXSDOUTLHIQX-PMPSAXMXSA-N 2 1 328.501 1.203 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000462614341 447800330 /nfs/dbraw/zinc/80/03/30/447800330.db2.gz GKMXSDOUTLHIQX-PMPSAXMXSA-N 2 1 328.501 1.203 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000462614341 447800332 /nfs/dbraw/zinc/80/03/32/447800332.db2.gz GKMXSDOUTLHIQX-PMPSAXMXSA-N 2 1 328.501 1.203 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423085146 447802501 /nfs/dbraw/zinc/80/25/01/447802501.db2.gz JSLCLJWARDEGBB-KZNAEPCWSA-N 2 1 331.460 1.392 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423085146 447802503 /nfs/dbraw/zinc/80/25/03/447802503.db2.gz JSLCLJWARDEGBB-KZNAEPCWSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCOCC[NH+](C)C)C1 ZINC000471637485 447806227 /nfs/dbraw/zinc/80/62/27/447806227.db2.gz WQUUJEDEJSWFQT-WMZOPIPTSA-N 2 1 348.491 1.699 20 0 EDADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCN(c3cnccn3)CC2)CCCO1 ZINC000569654687 447858143 /nfs/dbraw/zinc/85/81/43/447858143.db2.gz YPKLTIPSXDTMGC-MRXNPFEDSA-N 2 1 333.480 1.536 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCN(c3cnccn3)CC2)CCCO1 ZINC000569654687 447858147 /nfs/dbraw/zinc/85/81/47/447858147.db2.gz YPKLTIPSXDTMGC-MRXNPFEDSA-N 2 1 333.480 1.536 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000523005252 447867828 /nfs/dbraw/zinc/86/78/28/447867828.db2.gz MWIQTGMRHUIOLP-KRWDZBQOSA-N 2 1 339.528 1.044 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000523005252 447867831 /nfs/dbraw/zinc/86/78/31/447867831.db2.gz MWIQTGMRHUIOLP-KRWDZBQOSA-N 2 1 339.528 1.044 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000523005252 447867837 /nfs/dbraw/zinc/86/78/37/447867837.db2.gz MWIQTGMRHUIOLP-KRWDZBQOSA-N 2 1 339.528 1.044 20 0 EDADMP O=c1c2c(ncn1CC[C@@H]1CC[NH2+]C1)C[N@@H+](Cc1ccccc1)CC2 ZINC000569960949 447928866 /nfs/dbraw/zinc/92/88/66/447928866.db2.gz UOMMIQMADTXGQN-INIZCTEOSA-N 2 1 338.455 1.801 20 0 EDADMP O=c1c2c(ncn1CC[C@@H]1CC[NH2+]C1)C[N@H+](Cc1ccccc1)CC2 ZINC000569960949 447928871 /nfs/dbraw/zinc/92/88/71/447928871.db2.gz UOMMIQMADTXGQN-INIZCTEOSA-N 2 1 338.455 1.801 20 0 EDADMP CC1(C)C[NH+](CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000553222976 447978841 /nfs/dbraw/zinc/97/88/41/447978841.db2.gz QBSALUMVHUSIFQ-SFHVURJKSA-N 2 1 345.487 1.601 20 0 EDADMP CC1(C)C[NH+](CC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000553222976 447978847 /nfs/dbraw/zinc/97/88/47/447978847.db2.gz QBSALUMVHUSIFQ-SFHVURJKSA-N 2 1 345.487 1.601 20 0 EDADMP C[C@@H]1C[C@H](O)C[N@@H+](Cc2cncc(C[NH+]3C[C@H](O)C[C@H](C)C3)c2)C1 ZINC000576125178 447979543 /nfs/dbraw/zinc/97/95/43/447979543.db2.gz PXBSRUPFIXIUEW-DJDHSFSDSA-N 2 1 333.476 1.487 20 0 EDADMP CC[NH+](CC)[C@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)CC(C)C ZINC000553259804 447983046 /nfs/dbraw/zinc/98/30/46/447983046.db2.gz IXSIFDXNBPBGCK-CSLYMUCUSA-N 2 1 338.496 1.853 20 0 EDADMP C[N@@H+](CCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CCCCC1 ZINC000570330011 447987766 /nfs/dbraw/zinc/98/77/66/447987766.db2.gz RHTSUEUMCSSWPR-OAHLLOKOSA-N 2 1 348.495 1.415 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[NH+]1CC(C)C1 ZINC000553555823 447996164 /nfs/dbraw/zinc/99/61/64/447996164.db2.gz CLZSUSMTABMBRY-HKUYNNGSSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[NH+]1CC(C)C1 ZINC000553555823 447996168 /nfs/dbraw/zinc/99/61/68/447996168.db2.gz CLZSUSMTABMBRY-HKUYNNGSSA-N 2 1 345.487 1.734 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497258895 448014235 /nfs/dbraw/zinc/01/42/35/448014235.db2.gz FLQDEAUNDPEVKR-LSDHHAIUSA-N 2 1 329.485 1.536 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000525497768 448002672 /nfs/dbraw/zinc/00/26/72/448002672.db2.gz ATAYWWKVGAEUQG-HKUYNNGSSA-N 2 1 346.475 1.017 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525497768 448002674 /nfs/dbraw/zinc/00/26/74/448002674.db2.gz ATAYWWKVGAEUQG-HKUYNNGSSA-N 2 1 346.475 1.017 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000525497768 448002676 /nfs/dbraw/zinc/00/26/76/448002676.db2.gz ATAYWWKVGAEUQG-HKUYNNGSSA-N 2 1 346.475 1.017 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531050776 448008979 /nfs/dbraw/zinc/00/89/79/448008979.db2.gz SOOPJPVDRNRYTG-XLIONFOSSA-N 2 1 345.487 1.614 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531050776 448008983 /nfs/dbraw/zinc/00/89/83/448008983.db2.gz SOOPJPVDRNRYTG-XLIONFOSSA-N 2 1 345.487 1.614 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531050776 448008989 /nfs/dbraw/zinc/00/89/89/448008989.db2.gz SOOPJPVDRNRYTG-XLIONFOSSA-N 2 1 345.487 1.614 20 0 EDADMP CN(C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000530819344 447965526 /nfs/dbraw/zinc/96/55/26/447965526.db2.gz SYZWNLUAVIZPKI-UYAOXDASSA-N 2 1 343.471 1.319 20 0 EDADMP CN(C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000530819344 447965533 /nfs/dbraw/zinc/96/55/33/447965533.db2.gz SYZWNLUAVIZPKI-UYAOXDASSA-N 2 1 343.471 1.319 20 0 EDADMP CN(C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000530819344 447965536 /nfs/dbraw/zinc/96/55/36/447965536.db2.gz SYZWNLUAVIZPKI-UYAOXDASSA-N 2 1 343.471 1.319 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000531101301 448018976 /nfs/dbraw/zinc/01/89/76/448018976.db2.gz DAIIHVVZAWDNTG-RCCFBDPRSA-N 2 1 326.481 1.207 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000531101301 448018980 /nfs/dbraw/zinc/01/89/80/448018980.db2.gz DAIIHVVZAWDNTG-RCCFBDPRSA-N 2 1 326.481 1.207 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000531101301 448018986 /nfs/dbraw/zinc/01/89/86/448018986.db2.gz DAIIHVVZAWDNTG-RCCFBDPRSA-N 2 1 326.481 1.207 20 0 EDADMP Cn1ccnc1[C@H](CC(=O)NCCN1CC=CCC1)C(F)(F)F ZINC000570460334 448019253 /nfs/dbraw/zinc/01/92/53/448019253.db2.gz RPQKARPENMNBSV-LBPRGKRZSA-N 2 1 330.354 1.834 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)[N@@H+](C)C1 ZINC000500495099 448089240 /nfs/dbraw/zinc/08/92/40/448089240.db2.gz RXMIRLVJDOMSSK-IKGGRYGDSA-N 2 1 340.512 1.467 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000571075189 448107165 /nfs/dbraw/zinc/10/71/65/448107165.db2.gz OWUHOPZLRPUZNB-SJLPKXTDSA-N 2 1 349.475 1.706 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@H](C)C1 ZINC000497013525 448122637 /nfs/dbraw/zinc/12/26/37/448122637.db2.gz GKTFVKBRXZPUTN-PMPSAXMXSA-N 2 1 341.496 1.942 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC000511579330 448153159 /nfs/dbraw/zinc/15/31/59/448153159.db2.gz UWCGFFDXPYSVMY-QXAKKESOSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC000511579330 448153164 /nfs/dbraw/zinc/15/31/64/448153164.db2.gz UWCGFFDXPYSVMY-QXAKKESOSA-N 2 1 345.487 1.737 20 0 EDADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000571632542 448182485 /nfs/dbraw/zinc/18/24/85/448182485.db2.gz WVACMTDOMOHTJZ-LBPRGKRZSA-N 2 1 325.840 1.821 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCCC[NH2+]3)cc2)CC1 ZINC000514732450 448195869 /nfs/dbraw/zinc/19/58/69/448195869.db2.gz ILPNECIFCJLBTG-IBGZPJMESA-N 2 1 344.503 1.582 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000514789086 448204038 /nfs/dbraw/zinc/20/40/38/448204038.db2.gz VGDLFQOLFMFJFN-FGTMMUONSA-N 2 1 342.524 1.891 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497058172 448164380 /nfs/dbraw/zinc/16/43/80/448164380.db2.gz XYYDKDKJUKGKDZ-UHFFFAOYSA-N 2 1 341.500 1.794 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000572000143 448258726 /nfs/dbraw/zinc/25/87/26/448258726.db2.gz NQBCNNYPPSAKTR-CVEARBPZSA-N 2 1 334.468 1.165 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000582698666 448311577 /nfs/dbraw/zinc/31/15/77/448311577.db2.gz WMRBRXGIIOZMSU-YESZJQIVSA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000582698666 448311584 /nfs/dbraw/zinc/31/15/84/448311584.db2.gz WMRBRXGIIOZMSU-YESZJQIVSA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)(C)OC(=O)NCCC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000492791757 448293693 /nfs/dbraw/zinc/29/36/93/448293693.db2.gz ODUWHROXYUJBMB-HNNXBMFYSA-N 2 1 327.469 1.555 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC[C@@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000515347738 448295440 /nfs/dbraw/zinc/29/54/40/448295440.db2.gz MIMLWZWLRQCDAH-XMTFNYHQSA-N 2 1 327.513 1.311 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000515347738 448295443 /nfs/dbraw/zinc/29/54/43/448295443.db2.gz MIMLWZWLRQCDAH-XMTFNYHQSA-N 2 1 327.513 1.311 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000515347738 448295448 /nfs/dbraw/zinc/29/54/48/448295448.db2.gz MIMLWZWLRQCDAH-XMTFNYHQSA-N 2 1 327.513 1.311 20 0 EDADMP COC(=O)c1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)n(C)c1C ZINC000591256799 448299255 /nfs/dbraw/zinc/29/92/55/448299255.db2.gz DQYHJSIVYWUQIC-UHFFFAOYSA-N 2 1 336.480 1.237 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000572302609 448339634 /nfs/dbraw/zinc/33/96/34/448339634.db2.gz JUUGEVANEGSVAC-IBGZPJMESA-N 2 1 347.503 1.644 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000591418489 448357710 /nfs/dbraw/zinc/35/77/10/448357710.db2.gz DMAVKZBAEHSIMC-GJZGRUSLSA-N 2 1 336.505 1.105 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000591418489 448357711 /nfs/dbraw/zinc/35/77/11/448357711.db2.gz DMAVKZBAEHSIMC-GJZGRUSLSA-N 2 1 336.505 1.105 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000591442042 448363989 /nfs/dbraw/zinc/36/39/89/448363989.db2.gz FUOWOHBROAWCGS-QZTJIDSGSA-N 2 1 330.476 1.186 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000591442042 448363994 /nfs/dbraw/zinc/36/39/94/448363994.db2.gz FUOWOHBROAWCGS-QZTJIDSGSA-N 2 1 330.476 1.186 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000591442040 448364495 /nfs/dbraw/zinc/36/44/95/448364495.db2.gz FUOWOHBROAWCGS-MSOLQXFVSA-N 2 1 330.476 1.186 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000591442040 448364498 /nfs/dbraw/zinc/36/44/98/448364498.db2.gz FUOWOHBROAWCGS-MSOLQXFVSA-N 2 1 330.476 1.186 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCCCO)CC2)CC1 ZINC000566458862 448480416 /nfs/dbraw/zinc/48/04/16/448480416.db2.gz WRHGDSMCYPRKQV-UHFFFAOYSA-N 2 1 325.497 1.462 20 0 EDADMP [NH3+]C1CCC(OCC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000578319003 448514972 /nfs/dbraw/zinc/51/49/72/448514972.db2.gz ZSBQIYGOXRWFRA-UHFFFAOYSA-N 2 1 345.487 1.838 20 0 EDADMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC1CCC([NH+]2CCNCC2)CC1 ZINC000584409639 448516784 /nfs/dbraw/zinc/51/67/84/448516784.db2.gz UFAHYIITVREIPX-DDEIOVDASA-N 2 1 334.508 1.240 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000517026005 448526380 /nfs/dbraw/zinc/52/63/80/448526380.db2.gz XPEZGEVEFXLRTP-PMACEKPBSA-N 2 1 331.504 1.870 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000517026005 448526393 /nfs/dbraw/zinc/52/63/93/448526393.db2.gz XPEZGEVEFXLRTP-PMACEKPBSA-N 2 1 331.504 1.870 20 0 EDADMP C[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000578354605 448527135 /nfs/dbraw/zinc/52/71/35/448527135.db2.gz PQEUQTSNJNIECL-ICBLQISZSA-N 2 1 348.491 1.750 20 0 EDADMP CC[NH+]1CCC(CNC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000566537169 448500974 /nfs/dbraw/zinc/50/09/74/448500974.db2.gz UQOKHECDRQSJKH-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000573215398 448570552 /nfs/dbraw/zinc/57/05/52/448570552.db2.gz KAXIAJMBCKSICO-GOSISDBHSA-N 2 1 344.503 1.403 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000573215398 448570558 /nfs/dbraw/zinc/57/05/58/448570558.db2.gz KAXIAJMBCKSICO-GOSISDBHSA-N 2 1 344.503 1.403 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000573215398 448570563 /nfs/dbraw/zinc/57/05/63/448570563.db2.gz KAXIAJMBCKSICO-GOSISDBHSA-N 2 1 344.503 1.403 20 0 EDADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000584577054 448574987 /nfs/dbraw/zinc/57/49/87/448574987.db2.gz DEICSOMFGZVVOY-CYBMUJFWSA-N 2 1 345.896 1.809 20 0 EDADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000584577054 448574989 /nfs/dbraw/zinc/57/49/89/448574989.db2.gz DEICSOMFGZVVOY-CYBMUJFWSA-N 2 1 345.896 1.809 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000578402683 448535465 /nfs/dbraw/zinc/53/54/65/448535465.db2.gz FZWNEEVHLXPIKJ-OAHLLOKOSA-N 2 1 340.512 1.166 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000517793302 448618831 /nfs/dbraw/zinc/61/88/31/448618831.db2.gz GKRNNPMIJKBHFN-CEXWTWQISA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000517793302 448618834 /nfs/dbraw/zinc/61/88/34/448618834.db2.gz GKRNNPMIJKBHFN-CEXWTWQISA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000517793302 448618841 /nfs/dbraw/zinc/61/88/41/448618841.db2.gz GKRNNPMIJKBHFN-CEXWTWQISA-N 2 1 327.472 1.919 20 0 EDADMP C[C@H](O)CN1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000517585927 448597300 /nfs/dbraw/zinc/59/73/00/448597300.db2.gz XQYARXBBIZKLMU-ZIFCJYIRSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000517585927 448597305 /nfs/dbraw/zinc/59/73/05/448597305.db2.gz XQYARXBBIZKLMU-ZIFCJYIRSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000517585927 448597311 /nfs/dbraw/zinc/59/73/11/448597311.db2.gz XQYARXBBIZKLMU-ZIFCJYIRSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000517585927 448597317 /nfs/dbraw/zinc/59/73/17/448597317.db2.gz XQYARXBBIZKLMU-ZIFCJYIRSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000517585927 448597320 /nfs/dbraw/zinc/59/73/20/448597320.db2.gz XQYARXBBIZKLMU-ZIFCJYIRSA-N 2 1 345.487 1.422 20 0 EDADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000538974579 448604079 /nfs/dbraw/zinc/60/40/79/448604079.db2.gz KSLMTXXXQGZPSE-INIZCTEOSA-N 2 1 343.475 1.834 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000578841905 448647444 /nfs/dbraw/zinc/64/74/44/448647444.db2.gz QQRPGKXEPKGMGK-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@H]1CCC[N@H+](C)C1)n2C ZINC000540882423 448648111 /nfs/dbraw/zinc/64/81/11/448648111.db2.gz VEPOKAYIFRTOFO-GFCCVEGCSA-N 2 1 330.436 1.106 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@H]1CCC[N@@H+](C)C1)n2C ZINC000540882423 448648114 /nfs/dbraw/zinc/64/81/14/448648114.db2.gz VEPOKAYIFRTOFO-GFCCVEGCSA-N 2 1 330.436 1.106 20 0 EDADMP C[C@H](CNC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000518518009 448687704 /nfs/dbraw/zinc/68/77/04/448687704.db2.gz WCFOPGAEFRAKJA-BDXSIMOUSA-N 2 1 327.513 1.168 20 0 EDADMP C[C@H](CNC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000518518009 448687709 /nfs/dbraw/zinc/68/77/09/448687709.db2.gz WCFOPGAEFRAKJA-BDXSIMOUSA-N 2 1 327.513 1.168 20 0 EDADMP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CC[C@H](O)C2)c1)[C@H]1CCSC1 ZINC000567427127 448689566 /nfs/dbraw/zinc/68/95/66/448689566.db2.gz RLCVVLFJHRXVNG-IRXDYDNUSA-N 2 1 349.500 1.629 20 0 EDADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CC[C@H](O)C2)c1)[C@H]1CCSC1 ZINC000567427127 448689571 /nfs/dbraw/zinc/68/95/71/448689571.db2.gz RLCVVLFJHRXVNG-IRXDYDNUSA-N 2 1 349.500 1.629 20 0 EDADMP C[NH+](CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@H]1CCSC1 ZINC000567427127 448689575 /nfs/dbraw/zinc/68/95/75/448689575.db2.gz RLCVVLFJHRXVNG-IRXDYDNUSA-N 2 1 349.500 1.629 20 0 EDADMP C[NH+](CC(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@H]1CCSC1 ZINC000567427127 448689582 /nfs/dbraw/zinc/68/95/82/448689582.db2.gz RLCVVLFJHRXVNG-IRXDYDNUSA-N 2 1 349.500 1.629 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000579149762 448728162 /nfs/dbraw/zinc/72/81/62/448728162.db2.gz KROYFCWYVYYLKY-RDJZCZTQSA-N 2 1 325.497 1.602 20 0 EDADMP COc1cc2[nH+]ccc(NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)c2cc1OC ZINC000567863070 448777068 /nfs/dbraw/zinc/77/70/68/448777068.db2.gz YWDAJLFBAFHEJX-OKILXGFUSA-N 2 1 343.427 1.949 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+](CCOC)C1)c1ccccc1 ZINC000592313568 448787837 /nfs/dbraw/zinc/78/78/37/448787837.db2.gz SUOQQOVJWKVYBO-ROUUACIJSA-N 2 1 333.476 1.906 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+](CCOC)C1)c1ccccc1 ZINC000592313568 448787841 /nfs/dbraw/zinc/78/78/41/448787841.db2.gz SUOQQOVJWKVYBO-ROUUACIJSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@H+](CCOC)C1)c1ccccc1 ZINC000592313568 448787846 /nfs/dbraw/zinc/78/78/46/448787846.db2.gz SUOQQOVJWKVYBO-ROUUACIJSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CCOC)C1)c1ccccc1 ZINC000592313568 448787850 /nfs/dbraw/zinc/78/78/50/448787850.db2.gz SUOQQOVJWKVYBO-ROUUACIJSA-N 2 1 333.476 1.906 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529375305 448847650 /nfs/dbraw/zinc/84/76/50/448847650.db2.gz PUAKWXBDQCJKKY-GOSISDBHSA-N 2 1 346.475 1.201 20 0 EDADMP C[C@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000529375126 448847330 /nfs/dbraw/zinc/84/73/30/448847330.db2.gz NCUSPMKYBSVTCK-WMZOPIPTSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000568375457 448863350 /nfs/dbraw/zinc/86/33/50/448863350.db2.gz OERPYJNYCAAEIW-WMLDXEAASA-N 2 1 348.495 1.459 20 0 EDADMP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000568375457 448863357 /nfs/dbraw/zinc/86/33/57/448863357.db2.gz OERPYJNYCAAEIW-WMLDXEAASA-N 2 1 348.495 1.459 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)CC2 ZINC000520415293 448895875 /nfs/dbraw/zinc/89/58/75/448895875.db2.gz HSDHPBCOUPBXRD-OAHLLOKOSA-N 2 1 334.464 1.059 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)CC2 ZINC000520415293 448895880 /nfs/dbraw/zinc/89/58/80/448895880.db2.gz HSDHPBCOUPBXRD-OAHLLOKOSA-N 2 1 334.464 1.059 20 0 EDADMP N[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1cscn1 ZINC000575120430 449041143 /nfs/dbraw/zinc/04/11/43/449041143.db2.gz XOODAXZJMFJXIB-INIZCTEOSA-N 2 1 346.456 1.292 20 0 EDADMP CCOC(=O)c1cccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000600158164 449220021 /nfs/dbraw/zinc/22/00/21/449220021.db2.gz IBRLBGSOZZGLBI-UHFFFAOYSA-N 2 1 334.464 1.374 20 0 EDADMP COC(=O)[C@H](C[C@H]1CCCOC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000600204637 449243337 /nfs/dbraw/zinc/24/33/37/449243337.db2.gz BHZDAZRNMZPTGL-QAPCUYQASA-N 2 1 347.459 1.998 20 0 EDADMP CC(C)OC(=O)[C@@H](C)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601964642 449249094 /nfs/dbraw/zinc/24/90/94/449249094.db2.gz KBDFBDGNYFRENF-QFBILLFUSA-N 2 1 334.460 1.801 20 0 EDADMP CC(C)OC(=O)[C@@H](C)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601964642 449249096 /nfs/dbraw/zinc/24/90/96/449249096.db2.gz KBDFBDGNYFRENF-QFBILLFUSA-N 2 1 334.460 1.801 20 0 EDADMP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590787214 449294814 /nfs/dbraw/zinc/29/48/14/449294814.db2.gz VEYOESDGIWRPHH-UHFFFAOYSA-N 2 1 340.512 1.023 20 0 EDADMP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590787214 449294818 /nfs/dbraw/zinc/29/48/18/449294818.db2.gz VEYOESDGIWRPHH-UHFFFAOYSA-N 2 1 340.512 1.023 20 0 EDADMP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000617110419 449462300 /nfs/dbraw/zinc/46/23/00/449462300.db2.gz OSIXIDIBDHIUFH-SFHVURJKSA-N 2 1 335.492 1.620 20 0 EDADMP C[N@H+]1C[C@H]2CN(C(=O)c3ccc4[nH]c5c(c4c3)C[NH+](C)CC5)C[C@H]2C1 ZINC000614125411 449471322 /nfs/dbraw/zinc/47/13/22/449471322.db2.gz VLLJVQYTJAFFRH-GASCZTMLSA-N 2 1 338.455 1.789 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)c3ccc4[nH]c5c(c4c3)C[NH+](C)CC5)C[C@H]2C1 ZINC000614125411 449471327 /nfs/dbraw/zinc/47/13/27/449471327.db2.gz VLLJVQYTJAFFRH-GASCZTMLSA-N 2 1 338.455 1.789 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)c3ccc4[nH]c5c(c4c3)C[N@H+](C)CC5)C[C@H]2C1 ZINC000614125411 449471331 /nfs/dbraw/zinc/47/13/31/449471331.db2.gz VLLJVQYTJAFFRH-GASCZTMLSA-N 2 1 338.455 1.789 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)c3ccc4[nH]c5c(c4c3)C[N@@H+](C)CC5)C[C@H]2C1 ZINC000614125411 449471336 /nfs/dbraw/zinc/47/13/36/449471336.db2.gz VLLJVQYTJAFFRH-GASCZTMLSA-N 2 1 338.455 1.789 20 0 EDADMP C[N@H+](CCNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000602411128 449570388 /nfs/dbraw/zinc/57/03/88/449570388.db2.gz QCVDUCVBOIENDL-UHFFFAOYSA-N 2 1 345.491 1.202 20 0 EDADMP C[N@@H+](CCNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000602411128 449570391 /nfs/dbraw/zinc/57/03/91/449570391.db2.gz QCVDUCVBOIENDL-UHFFFAOYSA-N 2 1 345.491 1.202 20 0 EDADMP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C(=O)OC)cc1 ZINC000596652106 449586975 /nfs/dbraw/zinc/58/69/75/449586975.db2.gz GWNPSSLRNHYQQU-CQSZACIVSA-N 2 1 330.388 1.668 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602471478 449618588 /nfs/dbraw/zinc/61/85/88/449618588.db2.gz NHDCUSUIPKFDJF-CMJOXMDJSA-N 2 1 343.537 1.258 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-c2cccnc2)on1 ZINC000617504647 449650588 /nfs/dbraw/zinc/65/05/88/449650588.db2.gz DCFFFBQODUXMFI-AWEZNQCLSA-N 2 1 345.447 1.738 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-c2cccnc2)on1 ZINC000617504647 449650591 /nfs/dbraw/zinc/65/05/91/449650591.db2.gz DCFFFBQODUXMFI-AWEZNQCLSA-N 2 1 345.447 1.738 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnc2cnccc2c1 ZINC000617507174 449655162 /nfs/dbraw/zinc/65/51/62/449655162.db2.gz LNNHZXKNKMWPCK-AWEZNQCLSA-N 2 1 329.448 1.632 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnc2cnccc2c1 ZINC000617507174 449655166 /nfs/dbraw/zinc/65/51/66/449655166.db2.gz LNNHZXKNKMWPCK-AWEZNQCLSA-N 2 1 329.448 1.632 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000617506611 449655515 /nfs/dbraw/zinc/65/55/15/449655515.db2.gz SYBJZMAGQXCUCY-WMZOPIPTSA-N 2 1 338.540 1.782 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000617506611 449655517 /nfs/dbraw/zinc/65/55/17/449655517.db2.gz SYBJZMAGQXCUCY-WMZOPIPTSA-N 3 1 338.540 1.782 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000617506611 449655520 /nfs/dbraw/zinc/65/55/20/449655520.db2.gz SYBJZMAGQXCUCY-WMZOPIPTSA-N 3 1 338.540 1.782 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000617506611 449655522 /nfs/dbraw/zinc/65/55/22/449655522.db2.gz SYBJZMAGQXCUCY-WMZOPIPTSA-N 3 1 338.540 1.782 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000617506611 449655525 /nfs/dbraw/zinc/65/55/25/449655525.db2.gz SYBJZMAGQXCUCY-WMZOPIPTSA-N 3 1 338.540 1.782 20 0 EDADMP COC(=O)CC1CCC([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000599027608 449704021 /nfs/dbraw/zinc/70/40/21/449704021.db2.gz NEJCGKDSFVGSQS-PCKAHOCUSA-N 2 1 339.480 1.285 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)OC)[C@@H](C)C1 ZINC000594926726 449810614 /nfs/dbraw/zinc/81/06/14/449810614.db2.gz UEHGSJQGDXEDSY-NNXHMXCWSA-N 2 1 326.481 1.911 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000594975321 449826837 /nfs/dbraw/zinc/82/68/37/449826837.db2.gz QUWLTHCHWABBIX-BNEJOLLZSA-N 2 1 332.444 1.540 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000612594471 449790413 /nfs/dbraw/zinc/79/04/13/449790413.db2.gz KGBDWTXWRZHTRG-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)NC(=O)NCc3ccco3)C2)CC1 ZINC000602877836 449885460 /nfs/dbraw/zinc/88/54/60/449885460.db2.gz SJKUZKOISWUELQ-UHFFFAOYSA-N 2 1 334.420 1.023 20 0 EDADMP C[C@]1(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000612877265 449922625 /nfs/dbraw/zinc/92/26/25/449922625.db2.gz RDAQALICLUQBPM-HKUYNNGSSA-N 2 1 330.476 1.950 20 0 EDADMP C[N@@H+](CCC(=O)N1CCOC[C@@H]1[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000615271516 450036157 /nfs/dbraw/zinc/03/61/57/450036157.db2.gz XSPMGCKVHBZKDG-QZTJIDSGSA-N 2 1 337.508 1.963 20 0 EDADMP C[NH+](CCC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000615271516 450036160 /nfs/dbraw/zinc/03/61/60/450036160.db2.gz XSPMGCKVHBZKDG-QZTJIDSGSA-N 2 1 337.508 1.963 20 0 EDADMP C[NH+](CCC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000615271516 450036164 /nfs/dbraw/zinc/03/61/64/450036164.db2.gz XSPMGCKVHBZKDG-QZTJIDSGSA-N 2 1 337.508 1.963 20 0 EDADMP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)C(C)C ZINC000603063891 450046264 /nfs/dbraw/zinc/04/62/64/450046264.db2.gz VRLHWTCGVWMSEH-WCVJEAGWSA-N 2 1 341.496 1.541 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3nccn3C)CC2)CC1 ZINC000620605665 450520712 /nfs/dbraw/zinc/52/07/12/450520712.db2.gz IHGHSUJLAAWTCS-HNNXBMFYSA-N 2 1 347.507 1.794 20 0 EDADMP CCC[N@H+](C)CC(C)(C)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000620622938 450521924 /nfs/dbraw/zinc/52/19/24/450521924.db2.gz AOAALHOZPDOGKF-UHFFFAOYSA-N 2 1 349.523 1.869 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000620622938 450521926 /nfs/dbraw/zinc/52/19/26/450521926.db2.gz AOAALHOZPDOGKF-UHFFFAOYSA-N 2 1 349.523 1.869 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH2+]1 ZINC000620902910 450557847 /nfs/dbraw/zinc/55/78/47/450557847.db2.gz BXMBICHRAWDZNY-JQHSSLGASA-N 2 1 331.460 1.486 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH2+]1 ZINC000620902910 450557849 /nfs/dbraw/zinc/55/78/49/450557849.db2.gz BXMBICHRAWDZNY-JQHSSLGASA-N 2 1 331.460 1.486 20 0 EDADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000621010795 450572845 /nfs/dbraw/zinc/57/28/45/450572845.db2.gz JMBDIAZDMAXJPC-KRWDZBQOSA-N 2 1 336.455 1.993 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)N[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000633080549 450666708 /nfs/dbraw/zinc/66/67/08/450666708.db2.gz CVWHPKUZBRXCOR-ZWKOTPCHSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N[C@H]3CCC[NH+](C)C3)C2)cc1 ZINC000633080549 450666713 /nfs/dbraw/zinc/66/67/13/450666713.db2.gz CVWHPKUZBRXCOR-ZWKOTPCHSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCC[NH+](C)C3)C2)cc1 ZINC000633080549 450666719 /nfs/dbraw/zinc/66/67/19/450666719.db2.gz CVWHPKUZBRXCOR-ZWKOTPCHSA-N 2 1 330.476 1.963 20 0 EDADMP Nc1nc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)nc2ccccc12 ZINC000629541786 450726924 /nfs/dbraw/zinc/72/69/24/450726924.db2.gz WEPPPGWLJHOOQE-RHSMWYFYSA-N 2 1 341.459 1.930 20 0 EDADMP O[C@@H](C[NH2+]CCCN1CCN(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000629555168 450733536 /nfs/dbraw/zinc/73/35/36/450733536.db2.gz YHVWTGJVFQVPMA-FQEVSTJZSA-N 2 1 346.519 1.245 20 0 EDADMP Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(N2CCOCC2)c1 ZINC000629562612 450737786 /nfs/dbraw/zinc/73/77/86/450737786.db2.gz DSHFDRSGWODTIS-SFHVURJKSA-N 2 1 333.476 1.378 20 0 EDADMP C[N@H+](CCOCC[NH3+])CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000629580195 450747400 /nfs/dbraw/zinc/74/74/00/450747400.db2.gz UTKGWDSODWAIOL-GOSISDBHSA-N 2 1 347.484 1.861 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000629580195 450747403 /nfs/dbraw/zinc/74/74/03/450747403.db2.gz UTKGWDSODWAIOL-GOSISDBHSA-N 2 1 347.484 1.861 20 0 EDADMP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629579971 450747702 /nfs/dbraw/zinc/74/77/02/450747702.db2.gz ZPQSYJMEXVUGBP-GFCCVEGCSA-N 2 1 329.391 1.391 20 0 EDADMP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629579971 450747708 /nfs/dbraw/zinc/74/77/08/450747708.db2.gz ZPQSYJMEXVUGBP-GFCCVEGCSA-N 2 1 329.391 1.391 20 0 EDADMP CCCn1nccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826215 450799767 /nfs/dbraw/zinc/79/97/67/450799767.db2.gz HYEJAIZOYJGZBE-HOTGVXAUSA-N 2 1 333.480 1.943 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000631828296 450800664 /nfs/dbraw/zinc/80/06/64/450800664.db2.gz LCVNEZXYMOHIPQ-YUELXQCFSA-N 2 1 342.434 1.642 20 0 EDADMP C[N@@H+]1C[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)[C@@H](c2ccccc2)C1 ZINC000626680565 450850215 /nfs/dbraw/zinc/85/02/15/450850215.db2.gz PKBYCRNFFKXYSE-XWSJACJDSA-N 2 1 345.462 1.977 20 0 EDADMP C[N@H+]1C[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)[C@@H](c2ccccc2)C1 ZINC000626680565 450850221 /nfs/dbraw/zinc/85/02/21/450850221.db2.gz PKBYCRNFFKXYSE-XWSJACJDSA-N 2 1 345.462 1.977 20 0 EDADMP [NH3+][C@@]12CCC[C@H]1CN(CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000621783031 450866771 /nfs/dbraw/zinc/86/67/71/450866771.db2.gz WHGQVKQRUDETSQ-AZUAARDMSA-N 2 1 342.487 1.144 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000629912399 450879293 /nfs/dbraw/zinc/87/92/93/450879293.db2.gz GGPQYWVRVNAOCH-AEFFLSMTSA-N 2 1 349.450 1.221 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000629912399 450879301 /nfs/dbraw/zinc/87/93/01/450879301.db2.gz GGPQYWVRVNAOCH-AEFFLSMTSA-N 2 1 349.450 1.221 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000629912399 450879307 /nfs/dbraw/zinc/87/93/07/450879307.db2.gz GGPQYWVRVNAOCH-AEFFLSMTSA-N 2 1 349.450 1.221 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000629912400 450881353 /nfs/dbraw/zinc/88/13/53/450881353.db2.gz GGPQYWVRVNAOCH-WMZOPIPTSA-N 2 1 349.450 1.221 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000629912400 450881358 /nfs/dbraw/zinc/88/13/58/450881358.db2.gz GGPQYWVRVNAOCH-WMZOPIPTSA-N 2 1 349.450 1.221 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000629912400 450881362 /nfs/dbraw/zinc/88/13/62/450881362.db2.gz GGPQYWVRVNAOCH-WMZOPIPTSA-N 2 1 349.450 1.221 20 0 EDADMP C[C@H](CNS(=O)(=O)CCC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000631940490 450897648 /nfs/dbraw/zinc/89/76/48/450897648.db2.gz YKXPUSRQUNBIHO-OAHLLOKOSA-N 2 1 327.494 1.378 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000626939725 451020642 /nfs/dbraw/zinc/02/06/42/451020642.db2.gz MPERIQQAELJLJM-UMVBOHGHSA-N 2 1 336.505 1.934 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000626939725 451020645 /nfs/dbraw/zinc/02/06/45/451020645.db2.gz MPERIQQAELJLJM-UMVBOHGHSA-N 2 1 336.505 1.934 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000626947690 451026350 /nfs/dbraw/zinc/02/63/50/451026350.db2.gz WTECXZZENHKMBH-HNNXBMFYSA-N 2 1 328.501 1.374 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632128476 451056881 /nfs/dbraw/zinc/05/68/81/451056881.db2.gz BZHDNBUOPQNZCL-UHFFFAOYSA-N 2 1 328.482 1.329 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000635561112 451059175 /nfs/dbraw/zinc/05/91/75/451059175.db2.gz CMDJWLCNWVAPBY-GOSISDBHSA-N 2 1 345.487 1.601 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000627013753 451078253 /nfs/dbraw/zinc/07/82/53/451078253.db2.gz RDHYPNJDENAGBX-SJLPKXTDSA-N 2 1 348.491 1.384 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000635582224 451081250 /nfs/dbraw/zinc/08/12/50/451081250.db2.gz QNBUKEUNSHYYKH-OAHLLOKOSA-N 2 1 334.464 1.624 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000627016615 451081929 /nfs/dbraw/zinc/08/19/29/451081929.db2.gz OJCLSXLAUCUZAI-MSOLQXFVSA-N 2 1 346.475 1.185 20 0 EDADMP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000635597948 451094113 /nfs/dbraw/zinc/09/41/13/451094113.db2.gz AJMZGBPJDIXGFI-UHOSZYNNSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000635597948 451094117 /nfs/dbraw/zinc/09/41/17/451094117.db2.gz AJMZGBPJDIXGFI-UHOSZYNNSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000635597948 451094122 /nfs/dbraw/zinc/09/41/22/451094122.db2.gz AJMZGBPJDIXGFI-UHOSZYNNSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000635597948 451094126 /nfs/dbraw/zinc/09/41/26/451094126.db2.gz AJMZGBPJDIXGFI-UHOSZYNNSA-N 2 1 345.487 1.734 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627194085 451179536 /nfs/dbraw/zinc/17/95/36/451179536.db2.gz UHLCFJJXRONUFT-AEFFLSMTSA-N 2 1 330.476 1.963 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000635745056 451214643 /nfs/dbraw/zinc/21/46/43/451214643.db2.gz TYBWKOJXCRWYCM-MRXNPFEDSA-N 2 1 331.460 1.924 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000635745312 451215173 /nfs/dbraw/zinc/21/51/73/451215173.db2.gz WGIALBIOMQLTFM-ROUUACIJSA-N 2 1 345.487 1.906 20 0 EDADMP CCC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CCOC ZINC000635753933 451221277 /nfs/dbraw/zinc/22/12/77/451221277.db2.gz SUQRDGXOQGFIDV-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC000638081748 451245745 /nfs/dbraw/zinc/24/57/45/451245745.db2.gz BUPJCDPKGBSEMR-KSSFIOAISA-N 2 1 346.406 1.703 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)c2oc(C[NH3+])cc2C)[C@@H](C)C1 ZINC000638118272 451286810 /nfs/dbraw/zinc/28/68/10/451286810.db2.gz WJQLECZNKFEYJG-HOCLYGCPSA-N 2 1 337.464 1.914 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000638099547 451265644 /nfs/dbraw/zinc/26/56/44/451265644.db2.gz HIBADPFIPBYTBK-UCLAIMLFSA-N 2 1 347.459 1.785 20 0 EDADMP COC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCCC[NH2+]1 ZINC000638117566 451284385 /nfs/dbraw/zinc/28/43/85/451284385.db2.gz MLJHHHGRMQGGKX-AZUAARDMSA-N 2 1 345.487 1.926 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000638125852 451295730 /nfs/dbraw/zinc/29/57/30/451295730.db2.gz ZGGRELMVMNCFJJ-CWLKWCNXSA-N 2 1 333.476 1.860 20 0 EDADMP COC[C@]1(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CCCC[NH2+]1 ZINC000638126729 451296902 /nfs/dbraw/zinc/29/69/02/451296902.db2.gz ANHGWHPMYGHFQV-SFHVURJKSA-N 2 1 337.439 1.532 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)nc(C)n1 ZINC000640408477 451300762 /nfs/dbraw/zinc/30/07/62/451300762.db2.gz FYNGVFRYIMMGHK-INIZCTEOSA-N 2 1 348.495 1.973 20 0 EDADMP [NH3+][C@H]1CC=C(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000638138000 451313054 /nfs/dbraw/zinc/31/30/54/451313054.db2.gz SKOMPEPBWQMYGG-INIZCTEOSA-N 2 1 332.423 1.111 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638198507 451351801 /nfs/dbraw/zinc/35/18/01/451351801.db2.gz CBXVEMBTUKWHDC-MSOLQXFVSA-N 3 1 344.503 1.756 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000640520338 451370107 /nfs/dbraw/zinc/37/01/07/451370107.db2.gz QEWMAMARPUSSLP-ILXRZTDVSA-N 2 1 325.497 1.769 20 0 EDADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1coc(S(N)(=O)=O)c1 ZINC000640535101 451385063 /nfs/dbraw/zinc/38/50/63/451385063.db2.gz ZYQKKKCAMGEZPZ-UHFFFAOYSA-N 2 1 329.466 1.625 20 0 EDADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1coc(S(N)(=O)=O)c1 ZINC000640535101 451385067 /nfs/dbraw/zinc/38/50/67/451385067.db2.gz ZYQKKKCAMGEZPZ-UHFFFAOYSA-N 2 1 329.466 1.625 20 0 EDADMP CCc1c[nH]c(CC(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)n1 ZINC000635951379 451391656 /nfs/dbraw/zinc/39/16/56/451391656.db2.gz SYJUCBTYFLAWCD-MRXNPFEDSA-N 2 1 328.416 1.720 20 0 EDADMP Cc1cc(C[NH3+])oc1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000638276427 451394458 /nfs/dbraw/zinc/39/44/58/451394458.db2.gz FDHALSLUTKLZBK-OAHLLOKOSA-N 2 1 334.464 1.289 20 0 EDADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000638282657 451400201 /nfs/dbraw/zinc/40/02/01/451400201.db2.gz HBKKRIRTLXNZQI-CGTJXYLNSA-N 2 1 333.476 1.718 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000638282657 451400204 /nfs/dbraw/zinc/40/02/04/451400204.db2.gz HBKKRIRTLXNZQI-CGTJXYLNSA-N 2 1 333.476 1.718 20 0 EDADMP CO[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000638304891 451418901 /nfs/dbraw/zinc/41/89/01/451418901.db2.gz MXWCPYSWTZIURF-OALUTQOASA-N 2 1 334.460 1.660 20 0 EDADMP C[C@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638306426 451421702 /nfs/dbraw/zinc/42/17/02/451421702.db2.gz CKZKQAGOVYBLOV-KVSKMBFKSA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC[N@@H+]1C ZINC000630826509 451422965 /nfs/dbraw/zinc/42/29/65/451422965.db2.gz JUJBSZHKOOVXAQ-HSFUPAIVSA-N 2 1 337.508 1.817 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC[N@H+]1C ZINC000630826509 451422973 /nfs/dbraw/zinc/42/29/73/451422973.db2.gz JUJBSZHKOOVXAQ-HSFUPAIVSA-N 2 1 337.508 1.817 20 0 EDADMP C[C@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638310008 451424155 /nfs/dbraw/zinc/42/41/55/451424155.db2.gz UYOPSNKNEVENGX-XKGZKEIXSA-N 2 1 345.487 1.769 20 0 EDADMP O[C@@H](C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)CC1(O)CCOCC1 ZINC000634642487 451434544 /nfs/dbraw/zinc/43/45/44/451434544.db2.gz LACSWMQSERBOLL-LJQANCHMSA-N 2 1 348.487 1.317 20 0 EDADMP O[C@@H](C[NH2+]CCC[N@H+]1CCc2ccccc2C1)CC1(O)CCOCC1 ZINC000634642487 451434552 /nfs/dbraw/zinc/43/45/52/451434552.db2.gz LACSWMQSERBOLL-LJQANCHMSA-N 2 1 348.487 1.317 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000630879702 451458836 /nfs/dbraw/zinc/45/88/36/451458836.db2.gz MFOWCCDDCIESQA-YYIAUSFCSA-N 2 1 325.497 1.674 20 0 EDADMP C[C@@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000634698931 451469832 /nfs/dbraw/zinc/46/98/32/451469832.db2.gz BKTVBHUUCTTZNM-AZUAARDMSA-N 2 1 331.504 1.945 20 0 EDADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000634705452 451482025 /nfs/dbraw/zinc/48/20/25/451482025.db2.gz ARCINFGYMLUXND-UYAOXDASSA-N 2 1 347.503 1.181 20 0 EDADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000634705452 451482029 /nfs/dbraw/zinc/48/20/29/451482029.db2.gz ARCINFGYMLUXND-UYAOXDASSA-N 2 1 347.503 1.181 20 0 EDADMP O[C@@]1(C[NH2+][C@@H]2CCc3c[nH]nc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634707492 451485258 /nfs/dbraw/zinc/48/52/58/451485258.db2.gz GXVWANXKOAVBAZ-IEBWSBKVSA-N 2 1 326.444 1.494 20 0 EDADMP O[C@@]1(C[NH2+][C@@H]2CCc3c[nH]nc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634707492 451485264 /nfs/dbraw/zinc/48/52/64/451485264.db2.gz GXVWANXKOAVBAZ-IEBWSBKVSA-N 2 1 326.444 1.494 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)CC1 ZINC000636087433 451506339 /nfs/dbraw/zinc/50/63/39/451506339.db2.gz JDOMTEWNWPMYTJ-JKSUJKDBSA-N 2 1 347.507 1.477 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000638428751 451509735 /nfs/dbraw/zinc/50/97/35/451509735.db2.gz BCFUGUYDIPSRJB-MOPGFXCFSA-N 2 1 346.519 1.682 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000638428751 451509739 /nfs/dbraw/zinc/50/97/39/451509739.db2.gz BCFUGUYDIPSRJB-MOPGFXCFSA-N 2 1 346.519 1.682 20 0 EDADMP c1cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)ccc1C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634780948 451543948 /nfs/dbraw/zinc/54/39/48/451543948.db2.gz DJBSHKZAUZDJCX-FGYAAKKASA-N 2 1 328.456 1.843 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000638514527 451553966 /nfs/dbraw/zinc/55/39/66/451553966.db2.gz UFYCYTOYONLQLI-OALUTQOASA-N 2 1 346.519 1.634 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@H]2CC[NH2+]C23CCC3)c2ccccc2)CC1 ZINC000638505549 451550308 /nfs/dbraw/zinc/55/03/08/451550308.db2.gz MDXNZOCPIJTYQN-ROUUACIJSA-N 2 1 342.487 1.376 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638576933 451585946 /nfs/dbraw/zinc/58/59/46/451585946.db2.gz SIATWSLFIRMTSX-ZWKOTPCHSA-N 3 1 344.503 1.627 20 0 EDADMP COc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1F ZINC000640802681 451595369 /nfs/dbraw/zinc/59/53/69/451595369.db2.gz NFHXXEMKSASCEO-UHFFFAOYSA-N 2 1 333.411 1.440 20 0 EDADMP Nc1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c(N)n1 ZINC000638609298 451604654 /nfs/dbraw/zinc/60/46/54/451604654.db2.gz JTOUEAQZVOMWSG-UHFFFAOYSA-N 2 1 340.475 1.968 20 0 EDADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000632905696 451643215 /nfs/dbraw/zinc/64/32/15/451643215.db2.gz YSWOGUXBJACORU-GOEBONIOSA-N 2 1 332.448 1.515 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@H]2CCCC[NH2+]2)CC[N@H+]1CCOC ZINC000637001852 451672258 /nfs/dbraw/zinc/67/22/58/451672258.db2.gz OPSTWPMZZXGLJZ-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000638833999 451705194 /nfs/dbraw/zinc/70/51/94/451705194.db2.gz BYNFPGFUVQECDP-NJAFHUGGSA-N 2 1 331.460 1.249 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000638851621 451710330 /nfs/dbraw/zinc/71/03/30/451710330.db2.gz LAWOEQFPAZNGGC-NXHRZFHOSA-N 2 1 332.492 1.150 20 0 EDADMP CC(=O)Nc1cccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000641023311 451732818 /nfs/dbraw/zinc/73/28/18/451732818.db2.gz FZHWBKSUWQHKNW-UHFFFAOYSA-N 2 1 342.447 1.250 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636498672 451738491 /nfs/dbraw/zinc/73/84/91/451738491.db2.gz YPJYASHHRZBESE-SFHVURJKSA-N 2 1 348.491 1.394 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638931974 451738855 /nfs/dbraw/zinc/73/88/55/451738855.db2.gz TUPLWDMLUAREIT-WBVHZDCISA-N 3 1 330.476 1.318 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000638949082 451742095 /nfs/dbraw/zinc/74/20/95/451742095.db2.gz XDYYTCWOLIOLOM-SZMVWBNQSA-N 2 1 330.476 1.927 20 0 EDADMP CCC(CC)n1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)n1 ZINC000641063224 451744008 /nfs/dbraw/zinc/74/40/08/451744008.db2.gz FHCLMSZJDZJISS-UHFFFAOYSA-N 2 1 345.495 1.850 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641090294 451747201 /nfs/dbraw/zinc/74/72/01/451747201.db2.gz GNICNMYKZZIWKN-IAGOWNOFSA-N 3 1 339.528 1.186 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000637264567 451773923 /nfs/dbraw/zinc/77/39/23/451773923.db2.gz LMTGMQHBWYFTAD-XHSDSOJGSA-N 2 1 342.553 1.938 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000637264567 451773926 /nfs/dbraw/zinc/77/39/26/451773926.db2.gz LMTGMQHBWYFTAD-XHSDSOJGSA-N 2 1 342.553 1.938 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000641215187 451784625 /nfs/dbraw/zinc/78/46/25/451784625.db2.gz OSUOFQIMRZQFDW-WBVHZDCISA-N 2 1 331.464 1.817 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000639176927 451785728 /nfs/dbraw/zinc/78/57/28/451785728.db2.gz MTOWYWLMWHCEPP-INIZCTEOSA-N 2 1 337.489 1.498 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC1 ZINC000639266519 451801963 /nfs/dbraw/zinc/80/19/63/451801963.db2.gz MJLVIZRJEZZEAR-UHFFFAOYSA-N 2 1 336.520 1.999 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000642006588 451805048 /nfs/dbraw/zinc/80/50/48/451805048.db2.gz QQYNYSNSQVFRAZ-MSOLQXFVSA-N 2 1 346.475 1.281 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000637379858 451812585 /nfs/dbraw/zinc/81/25/85/451812585.db2.gz JUMHPFZNOKSFFU-MSOLQXFVSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000637379858 451812591 /nfs/dbraw/zinc/81/25/91/451812591.db2.gz JUMHPFZNOKSFFU-MSOLQXFVSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000637379858 451812594 /nfs/dbraw/zinc/81/25/94/451812594.db2.gz JUMHPFZNOKSFFU-MSOLQXFVSA-N 2 1 346.475 1.147 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000644525247 451841440 /nfs/dbraw/zinc/84/14/40/451841440.db2.gz DGNXSDRHHPXEPR-VQIMIIECSA-N 2 1 330.476 1.910 20 0 EDADMP CN(C)C(=O)C1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639433217 451867122 /nfs/dbraw/zinc/86/71/22/451867122.db2.gz HAPRSGBTOUIMQZ-FQEVSTJZSA-N 2 1 345.487 1.424 20 0 EDADMP CN(C)C(=O)C1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639433217 451867125 /nfs/dbraw/zinc/86/71/25/451867125.db2.gz HAPRSGBTOUIMQZ-FQEVSTJZSA-N 2 1 345.487 1.424 20 0 EDADMP C[NH+](C)[C@@]1(CNC[C@@H](O)C[N@H+](C)Cc2ccccc2)CCSC1 ZINC000644583363 451877039 /nfs/dbraw/zinc/87/70/39/451877039.db2.gz VPOIIVMNUKAVAM-QZTJIDSGSA-N 2 1 337.533 1.506 20 0 EDADMP COC1CC[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000637476354 451893760 /nfs/dbraw/zinc/89/37/60/451893760.db2.gz NYPIETMJUZGFCB-MRXNPFEDSA-N 2 1 338.496 1.413 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642645414 451906471 /nfs/dbraw/zinc/90/64/71/451906471.db2.gz JZZROJODAJJALO-HOTGVXAUSA-N 2 1 338.496 1.016 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000646926124 451941899 /nfs/dbraw/zinc/94/18/99/451941899.db2.gz YVUZDXULCHZMHZ-BZSNNMDCSA-N 2 1 328.460 1.456 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000646926124 451941906 /nfs/dbraw/zinc/94/19/06/451941906.db2.gz YVUZDXULCHZMHZ-BZSNNMDCSA-N 2 1 328.460 1.456 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000646926124 451941913 /nfs/dbraw/zinc/94/19/13/451941913.db2.gz YVUZDXULCHZMHZ-BZSNNMDCSA-N 2 1 328.460 1.456 20 0 EDADMP CC[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000649292899 451969977 /nfs/dbraw/zinc/96/99/77/451969977.db2.gz KUNUDXWFPYBWEF-ROUUACIJSA-N 2 1 331.460 1.176 20 0 EDADMP Cc1nocc1CNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000637618365 451974290 /nfs/dbraw/zinc/97/42/90/451974290.db2.gz JSTVGKNTBRVKMN-MRXNPFEDSA-N 2 1 335.452 1.293 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c2)CCO1 ZINC000649308115 451984961 /nfs/dbraw/zinc/98/49/61/451984961.db2.gz LSZWGLLQMSGBFW-LIRZEXBASA-N 2 1 329.444 1.274 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c2)CCO1 ZINC000649308115 451984964 /nfs/dbraw/zinc/98/49/64/451984964.db2.gz LSZWGLLQMSGBFW-LIRZEXBASA-N 2 1 329.444 1.274 20 0 EDADMP CN(C(=O)c1ncccc1Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000644795507 451993768 /nfs/dbraw/zinc/99/37/68/451993768.db2.gz BDLKXHNMIQPOSB-AWEZNQCLSA-N 2 1 336.867 1.976 20 0 EDADMP CN(C(=O)c1ncccc1Cl)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000644795507 451993773 /nfs/dbraw/zinc/99/37/73/451993773.db2.gz BDLKXHNMIQPOSB-AWEZNQCLSA-N 2 1 336.867 1.976 20 0 EDADMP COC[C@]1(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC[NH2+]1 ZINC000649323239 452004158 /nfs/dbraw/zinc/00/41/58/452004158.db2.gz PEFDPHXCVCZEHC-FQEVSTJZSA-N 2 1 345.487 1.878 20 0 EDADMP COC[C@]1(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[NH2+]1 ZINC000649323239 452004160 /nfs/dbraw/zinc/00/41/60/452004160.db2.gz PEFDPHXCVCZEHC-FQEVSTJZSA-N 2 1 345.487 1.878 20 0 EDADMP Cn1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c([C@@H]2CCC[NH2+]C2)n1 ZINC000649326541 452007233 /nfs/dbraw/zinc/00/72/33/452007233.db2.gz BJHXVSSOXRVBAD-DJIMGWMZSA-N 2 1 345.491 1.586 20 0 EDADMP C[C@@H]1CN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1CCO ZINC000639664935 452008115 /nfs/dbraw/zinc/00/81/15/452008115.db2.gz TWJWLFSBFFZEAG-NSHGMRRFSA-N 2 1 347.503 1.010 20 0 EDADMP C[C@@H]1CN(C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@H+]1CCO ZINC000639664935 452008121 /nfs/dbraw/zinc/00/81/21/452008121.db2.gz TWJWLFSBFFZEAG-NSHGMRRFSA-N 2 1 347.503 1.010 20 0 EDADMP C[C@@H]1CN(C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@@H+]1CCO ZINC000639664935 452008123 /nfs/dbraw/zinc/00/81/23/452008123.db2.gz TWJWLFSBFFZEAG-NSHGMRRFSA-N 2 1 347.503 1.010 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000649328049 452008162 /nfs/dbraw/zinc/00/81/62/452008162.db2.gz WBQNGDYKQXUDFT-KGLIPLIRSA-N 2 1 343.435 1.049 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000637666648 452008319 /nfs/dbraw/zinc/00/83/19/452008319.db2.gz FZGYDTFPMNSFGL-HNNXBMFYSA-N 2 1 348.495 1.955 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649331601 452012545 /nfs/dbraw/zinc/01/25/45/452012545.db2.gz FLIWOHVUYGRULW-HOCLYGCPSA-N 2 1 337.414 1.964 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649331601 452012553 /nfs/dbraw/zinc/01/25/53/452012553.db2.gz FLIWOHVUYGRULW-HOCLYGCPSA-N 2 1 337.414 1.964 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649336620 452018125 /nfs/dbraw/zinc/01/81/25/452018125.db2.gz JFEQQWFFBKGZSX-JFRXWTBNSA-N 2 1 345.487 1.495 20 0 EDADMP O[C@H](COCc1ccco1)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682303 452021530 /nfs/dbraw/zinc/02/15/30/452021530.db2.gz RXIMHPWUXGXMCL-KRWDZBQOSA-N 2 1 331.416 1.764 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2(CCOC)CC[NH2+]CC2)C1 ZINC000649343965 452024993 /nfs/dbraw/zinc/02/49/93/452024993.db2.gz JZSJXPWFHMTNSZ-MRXNPFEDSA-N 2 1 325.497 1.583 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2cccnc21 ZINC000644856033 452030369 /nfs/dbraw/zinc/03/03/69/452030369.db2.gz HEQCFMKZCMWKOD-ZWKOTPCHSA-N 2 1 344.503 1.986 20 0 EDADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000647056312 452032925 /nfs/dbraw/zinc/03/29/25/452032925.db2.gz ZVHUKGNVJKAEJZ-DLBZAZTESA-N 2 1 328.460 1.552 20 0 EDADMP CC1(C)C[NH2+][C@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000647090765 452054961 /nfs/dbraw/zinc/05/49/61/452054961.db2.gz XKEFCPIGDQQUSL-INIZCTEOSA-N 2 1 330.476 1.094 20 0 EDADMP O=C([C@H]1CCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000647094352 452056809 /nfs/dbraw/zinc/05/68/09/452056809.db2.gz WMGDXEUPCVQUIK-OAHLLOKOSA-N 2 1 331.464 1.335 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649418223 452079999 /nfs/dbraw/zinc/07/99/99/452079999.db2.gz LCZMXBXGIYKPAE-BQFCYCMXSA-N 2 1 345.491 1.627 20 0 EDADMP CC[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000649416828 452080350 /nfs/dbraw/zinc/08/03/50/452080350.db2.gz NACTXFMTKPIXPS-RBUKOAKNSA-N 2 1 344.503 1.390 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000639760527 452099968 /nfs/dbraw/zinc/09/99/68/452099968.db2.gz FTPGRVGUIBBQDL-GOSISDBHSA-N 2 1 349.431 1.132 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000639760527 452099974 /nfs/dbraw/zinc/09/99/74/452099974.db2.gz FTPGRVGUIBBQDL-GOSISDBHSA-N 2 1 349.431 1.132 20 0 EDADMP C[C@@]12COC[C@]1(C)C[N@@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC000639799932 452136676 /nfs/dbraw/zinc/13/66/76/452136676.db2.gz HYWYTBNGHAXING-ZCNNSNEGSA-N 2 1 330.472 1.982 20 0 EDADMP C[C@@]12COC[C@]1(C)C[N@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC000639799932 452136678 /nfs/dbraw/zinc/13/66/78/452136678.db2.gz HYWYTBNGHAXING-ZCNNSNEGSA-N 2 1 330.472 1.982 20 0 EDADMP C[C@@]12COC[C@]1(C)C[NH+](C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC000639799932 452136682 /nfs/dbraw/zinc/13/66/82/452136682.db2.gz HYWYTBNGHAXING-ZCNNSNEGSA-N 2 1 330.472 1.982 20 0 EDADMP C[C@@]12COC[C@]1(C)C[NH+](C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000639799932 452136687 /nfs/dbraw/zinc/13/66/87/452136687.db2.gz HYWYTBNGHAXING-ZCNNSNEGSA-N 2 1 330.472 1.982 20 0 EDADMP C[NH+](C)CC1CC[NH+](Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000637907259 452156196 /nfs/dbraw/zinc/15/61/96/452156196.db2.gz KBVWSJNCFURDRJ-UHFFFAOYSA-N 2 1 329.441 1.247 20 0 EDADMP COc1cc(OC)c(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1F ZINC000651952771 452188965 /nfs/dbraw/zinc/18/89/65/452188965.db2.gz BAXIYKHCVMMIKQ-UHFFFAOYSA-N 2 1 339.455 1.960 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1)N1CC[NH2+]CC1 ZINC000647486434 452230851 /nfs/dbraw/zinc/23/08/51/452230851.db2.gz PIDFCERITROGKZ-ZDUSSCGKSA-N 2 1 334.489 1.276 20 0 EDADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655450016 452245487 /nfs/dbraw/zinc/24/54/87/452245487.db2.gz ZZIIZNMPLBRKPT-ICSRJNTNSA-N 2 1 342.487 1.315 20 0 EDADMP C[C@@H](CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C[C@H](C)O ZINC000638014864 452255800 /nfs/dbraw/zinc/25/58/00/452255800.db2.gz GNXDVBWFKZTWKC-SJORKVTESA-N 2 1 347.503 1.893 20 0 EDADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cnn2c1CCC2 ZINC000657469751 452270304 /nfs/dbraw/zinc/27/03/04/452270304.db2.gz VMRANSOENFQJMY-UHFFFAOYSA-N 2 1 329.448 1.845 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)NCCc2cccc3cccnc32)C[C@@H]1[NH3+] ZINC000641802014 452277375 /nfs/dbraw/zinc/27/73/75/452277375.db2.gz XQJHQTPZXSLBAR-JKSUJKDBSA-N 2 1 326.444 1.609 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000641803519 452280509 /nfs/dbraw/zinc/28/05/09/452280509.db2.gz GIMQBCDNMOMPIN-ZIAGYGMSSA-N 2 1 341.402 1.662 20 0 EDADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000641804966 452282802 /nfs/dbraw/zinc/28/28/02/452282802.db2.gz MHXWGOOMEMZKON-YXAMBPQSSA-N 2 1 333.432 1.047 20 0 EDADMP C[C@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487515 452284568 /nfs/dbraw/zinc/28/45/68/452284568.db2.gz GQXSGTQUHGYOAH-WVZRYYJFSA-N 2 1 337.439 1.482 20 0 EDADMP C[C@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487515 452284578 /nfs/dbraw/zinc/28/45/78/452284578.db2.gz GQXSGTQUHGYOAH-WVZRYYJFSA-N 2 1 337.439 1.482 20 0 EDADMP COc1cc(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc(OC)c1OC ZINC000641808592 452287472 /nfs/dbraw/zinc/28/74/72/452287472.db2.gz ZACKXIGQDGAGCD-KGLIPLIRSA-N 2 1 337.420 1.366 20 0 EDADMP CCCN(C(=O)NC[C@H](C)C[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000645310556 452287696 /nfs/dbraw/zinc/28/76/96/452287696.db2.gz XZOCADHHYAAKDJ-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CCCN(C(=O)NC[C@H](C)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000645310556 452287704 /nfs/dbraw/zinc/28/77/04/452287704.db2.gz XZOCADHHYAAKDJ-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659441504 452288338 /nfs/dbraw/zinc/28/83/38/452288338.db2.gz TZQPHHSGVLPCKK-BRWVUGGUSA-N 2 1 334.439 1.665 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000645310559 452288339 /nfs/dbraw/zinc/28/83/39/452288339.db2.gz XZOCADHHYAAKDJ-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645310559 452288346 /nfs/dbraw/zinc/28/83/46/452288346.db2.gz XZOCADHHYAAKDJ-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[N@@H+](C)C1CC1 ZINC000659450515 452300528 /nfs/dbraw/zinc/30/05/28/452300528.db2.gz BYIIMDXATUWSBO-BMGDILEWSA-N 2 1 330.476 1.914 20 0 EDADMP CCO[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000652119553 452314861 /nfs/dbraw/zinc/31/48/61/452314861.db2.gz KMPLZOUQABEZIP-KZNAEPCWSA-N 2 1 346.475 1.266 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)C[N@H+]1Cc1ccccc1 ZINC000659468528 452325341 /nfs/dbraw/zinc/32/53/41/452325341.db2.gz BPPYFTXTYMLLLZ-BBPFYFEFSA-N 2 1 328.460 1.782 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000665760639 452333232 /nfs/dbraw/zinc/33/32/32/452333232.db2.gz MAIWFZYVPPDQCH-YESZJQIVSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000665760639 452333240 /nfs/dbraw/zinc/33/32/40/452333240.db2.gz MAIWFZYVPPDQCH-YESZJQIVSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000665760929 452335655 /nfs/dbraw/zinc/33/56/55/452335655.db2.gz SMBWVVJLKQDPRE-ULQDDVLXSA-N 2 1 340.512 1.326 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000665760929 452335664 /nfs/dbraw/zinc/33/56/64/452335664.db2.gz SMBWVVJLKQDPRE-ULQDDVLXSA-N 2 1 340.512 1.326 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000665760886 452335815 /nfs/dbraw/zinc/33/58/15/452335815.db2.gz REVXUMYSAUTWKP-JYJNAYRXSA-N 2 1 328.501 1.061 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000665760886 452335823 /nfs/dbraw/zinc/33/58/23/452335823.db2.gz REVXUMYSAUTWKP-JYJNAYRXSA-N 2 1 328.501 1.061 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652144692 452337964 /nfs/dbraw/zinc/33/79/64/452337964.db2.gz OONVPBPTHKJWLY-ZOBUZTSGSA-N 2 1 338.496 1.399 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659481591 452340884 /nfs/dbraw/zinc/34/08/84/452340884.db2.gz JAGWKUPIRHWNTA-HCMQPCSISA-N 2 1 328.460 1.640 20 0 EDADMP CC1CC[NH+](CCCNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638056192 452342059 /nfs/dbraw/zinc/34/20/59/452342059.db2.gz WXHUPEDZTUAWAP-LJQANCHMSA-N 2 1 346.519 1.684 20 0 EDADMP CC1CC[NH+](CCCNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638056192 452342070 /nfs/dbraw/zinc/34/20/70/452342070.db2.gz WXHUPEDZTUAWAP-LJQANCHMSA-N 2 1 346.519 1.684 20 0 EDADMP C[C@@H](CO)C1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665764049 452347311 /nfs/dbraw/zinc/34/73/11/452347311.db2.gz SGKFMNBOFYYWHF-HOTGVXAUSA-N 2 1 342.528 1.308 20 0 EDADMP C[C@@H](CO)C1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665764049 452347317 /nfs/dbraw/zinc/34/73/17/452347317.db2.gz SGKFMNBOFYYWHF-HOTGVXAUSA-N 2 1 342.528 1.308 20 0 EDADMP CC[NH+]1CCC(N(C)C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638058902 452348594 /nfs/dbraw/zinc/34/85/94/452348594.db2.gz CNRAXKMFNVNROO-SFHVURJKSA-N 2 1 332.492 1.388 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CN1C1CC1 ZINC000657594000 452359678 /nfs/dbraw/zinc/35/96/78/452359678.db2.gz GDVBSOZNNPKNRZ-ZTNFWEORSA-N 2 1 329.488 1.968 20 0 EDADMP O=C(NC[C@H]1CCCC[NH2+]1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659506620 452370807 /nfs/dbraw/zinc/37/08/07/452370807.db2.gz CZTAMPUKBOPBLA-BZUAXINKSA-N 2 1 336.480 1.071 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000638071240 452375846 /nfs/dbraw/zinc/37/58/46/452375846.db2.gz AVCXPPNIHFWCHN-BZSNNMDCSA-N 2 1 330.476 1.189 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000638071240 452375855 /nfs/dbraw/zinc/37/58/55/452375855.db2.gz AVCXPPNIHFWCHN-BZSNNMDCSA-N 2 1 330.476 1.189 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000638071240 452375866 /nfs/dbraw/zinc/37/58/66/452375866.db2.gz AVCXPPNIHFWCHN-BZSNNMDCSA-N 2 1 330.476 1.189 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000638071240 452375874 /nfs/dbraw/zinc/37/58/74/452375874.db2.gz AVCXPPNIHFWCHN-BZSNNMDCSA-N 2 1 330.476 1.189 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000638071240 452375884 /nfs/dbraw/zinc/37/58/84/452375884.db2.gz AVCXPPNIHFWCHN-BZSNNMDCSA-N 2 1 330.476 1.189 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638072477 452379731 /nfs/dbraw/zinc/37/97/31/452379731.db2.gz SOFRJURNTWPJEI-LNLFQRSKSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000638075395 452385498 /nfs/dbraw/zinc/38/54/98/452385498.db2.gz QVMMECHEGXJXBH-SJLPKXTDSA-N 2 1 332.492 1.294 20 0 EDADMP C[C@H](CNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000638075395 452385505 /nfs/dbraw/zinc/38/55/05/452385505.db2.gz QVMMECHEGXJXBH-SJLPKXTDSA-N 2 1 332.492 1.294 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000647679248 452414341 /nfs/dbraw/zinc/41/43/41/452414341.db2.gz UQWMHYUYTLSDGW-ROUUACIJSA-N 2 1 334.508 1.290 20 0 EDADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000647679248 452414350 /nfs/dbraw/zinc/41/43/50/452414350.db2.gz UQWMHYUYTLSDGW-ROUUACIJSA-N 2 1 334.508 1.290 20 0 EDADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000647679248 452414360 /nfs/dbraw/zinc/41/43/60/452414360.db2.gz UQWMHYUYTLSDGW-ROUUACIJSA-N 2 1 334.508 1.290 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000663687266 452424284 /nfs/dbraw/zinc/42/42/84/452424284.db2.gz JCGHMIYJWVWMIZ-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654374880 452428664 /nfs/dbraw/zinc/42/86/64/452428664.db2.gz VTHCQPSDTGCPAI-LUKYLMHMSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654374880 452428674 /nfs/dbraw/zinc/42/86/74/452428674.db2.gz VTHCQPSDTGCPAI-LUKYLMHMSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCC[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654374880 452428680 /nfs/dbraw/zinc/42/86/80/452428680.db2.gz VTHCQPSDTGCPAI-LUKYLMHMSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCC[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654374880 452428689 /nfs/dbraw/zinc/42/86/89/452428689.db2.gz VTHCQPSDTGCPAI-LUKYLMHMSA-N 2 1 340.512 1.515 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCC2([NH3+])CCCC2)CC[N@H+]1CCOC ZINC000659573438 452429452 /nfs/dbraw/zinc/42/94/52/452429452.db2.gz NOAPOJWUEQKWRR-OAHLLOKOSA-N 2 1 326.485 1.400 20 0 EDADMP C[C@@H]1CN(C(C)(C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000655695529 452516893 /nfs/dbraw/zinc/51/68/93/452516893.db2.gz MEIUJWYDLGYBPE-SOLBZPMBSA-N 2 1 339.524 1.717 20 0 EDADMP OC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccc(F)cc1 ZINC000655698587 452520210 /nfs/dbraw/zinc/52/02/10/452520210.db2.gz MGEGMHGYBBINAP-QFBILLFUSA-N 2 1 336.451 1.820 20 0 EDADMP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652345523 452520465 /nfs/dbraw/zinc/52/04/65/452520465.db2.gz DFWJENRLFSVJKR-IGKNDFSCSA-N 2 1 337.508 1.709 20 0 EDADMP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345979 452520820 /nfs/dbraw/zinc/52/08/20/452520820.db2.gz QIUDBKUDKURHMZ-QPSCCSFWSA-N 2 1 333.436 1.022 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)NCc3ccccc3F)C2)C1 ZINC000652346908 452522980 /nfs/dbraw/zinc/52/29/80/452522980.db2.gz LFOISJKCTVHUHS-NUJGCVRESA-N 2 1 349.450 1.660 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3nnc4n3CCCCC4)C2)C1 ZINC000652350397 452526094 /nfs/dbraw/zinc/52/60/94/452526094.db2.gz WXHILZXNTRLJIY-ARFHVFGLSA-N 2 1 333.480 1.723 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3nnc4n3CCCCC4)C2)C1 ZINC000652350397 452526102 /nfs/dbraw/zinc/52/61/02/452526102.db2.gz WXHILZXNTRLJIY-ARFHVFGLSA-N 2 1 333.480 1.723 20 0 EDADMP Cc1cc(CO)cc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)[nH+]1 ZINC000663797438 452527045 /nfs/dbraw/zinc/52/70/45/452527045.db2.gz PSINMAYKYMBJBT-UHFFFAOYSA-N 2 1 332.492 1.736 20 0 EDADMP CN(C)C(=O)C1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1 ZINC000655710619 452527963 /nfs/dbraw/zinc/52/79/63/452527963.db2.gz AZUMXSVBBFWXHZ-KRWDZBQOSA-N 2 1 337.508 1.868 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652354181 452533139 /nfs/dbraw/zinc/53/31/39/452533139.db2.gz OZANDGIACHSUNL-WBVHZDCISA-N 2 1 333.476 1.803 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652354181 452533141 /nfs/dbraw/zinc/53/31/41/452533141.db2.gz OZANDGIACHSUNL-WBVHZDCISA-N 2 1 333.476 1.803 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655717028 452535269 /nfs/dbraw/zinc/53/52/69/452535269.db2.gz SQAJIVQFYKBMKT-IBGZPJMESA-N 2 1 338.540 1.247 20 0 EDADMP C[N@@H+]1CCCN(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655717028 452535274 /nfs/dbraw/zinc/53/52/74/452535274.db2.gz SQAJIVQFYKBMKT-IBGZPJMESA-N 3 1 338.540 1.247 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655717028 452535282 /nfs/dbraw/zinc/53/52/82/452535282.db2.gz SQAJIVQFYKBMKT-IBGZPJMESA-N 3 1 338.540 1.247 20 0 EDADMP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C[C@H]1C[NH3+] ZINC000652357330 452537629 /nfs/dbraw/zinc/53/76/29/452537629.db2.gz JVDMTUJYGZBOGJ-KBAYOESNSA-N 2 1 333.476 1.638 20 0 EDADMP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C[C@H]1C[NH3+] ZINC000652357330 452537638 /nfs/dbraw/zinc/53/76/38/452537638.db2.gz JVDMTUJYGZBOGJ-KBAYOESNSA-N 2 1 333.476 1.638 20 0 EDADMP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C[C@H]1C[NH3+] ZINC000652357329 452537709 /nfs/dbraw/zinc/53/77/09/452537709.db2.gz JVDMTUJYGZBOGJ-CGTJXYLNSA-N 2 1 333.476 1.638 20 0 EDADMP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C[C@H]1C[NH3+] ZINC000652357329 452537720 /nfs/dbraw/zinc/53/77/20/452537720.db2.gz JVDMTUJYGZBOGJ-CGTJXYLNSA-N 2 1 333.476 1.638 20 0 EDADMP COc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360958 452542856 /nfs/dbraw/zinc/54/28/56/452542856.db2.gz VCJXAUZWJPPXTQ-YXJHDRRASA-N 2 1 347.459 1.995 20 0 EDADMP COc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360958 452542865 /nfs/dbraw/zinc/54/28/65/452542865.db2.gz VCJXAUZWJPPXTQ-YXJHDRRASA-N 2 1 347.459 1.995 20 0 EDADMP C[C@H](CNC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647834955 452569863 /nfs/dbraw/zinc/56/98/63/452569863.db2.gz GXVZOCHJCDSYIM-SJORKVTESA-N 2 1 332.492 1.132 20 0 EDADMP C[C@H](CNC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647834955 452569874 /nfs/dbraw/zinc/56/98/74/452569874.db2.gz GXVZOCHJCDSYIM-SJORKVTESA-N 2 1 332.492 1.132 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000663849597 452575752 /nfs/dbraw/zinc/57/57/52/452575752.db2.gz KZAAZSQZWYKXNZ-YJBOKZPZSA-N 2 1 348.491 1.393 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000645621499 452616078 /nfs/dbraw/zinc/61/60/78/452616078.db2.gz FYWUHXQHFZSMNE-NVXWUHKLSA-N 2 1 344.459 1.158 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000643785037 452640501 /nfs/dbraw/zinc/64/05/01/452640501.db2.gz IDLBXVVLNXPNSV-HKCMKHECSA-N 2 1 325.815 1.935 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1CC1 ZINC000663919453 452644694 /nfs/dbraw/zinc/64/46/94/452644694.db2.gz BTUYNQOMUTYDRQ-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCc1cccc(O)c1 ZINC000663933981 452654969 /nfs/dbraw/zinc/65/49/69/452654969.db2.gz SOAJMMNTNLASPH-HNNXBMFYSA-N 2 1 336.480 1.506 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCc1cccc(O)c1 ZINC000663933981 452654977 /nfs/dbraw/zinc/65/49/77/452654977.db2.gz SOAJMMNTNLASPH-HNNXBMFYSA-N 2 1 336.480 1.506 20 0 EDADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCOc2cccc(C)c2)CC[C@@H]1[NH3+] ZINC000647938447 452679963 /nfs/dbraw/zinc/67/99/63/452679963.db2.gz NITBWPIOLOIISN-NUJGCVRESA-N 2 1 333.476 1.938 20 0 EDADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NCCOc2cccc(C)c2)CC[C@@H]1[NH3+] ZINC000647938447 452679972 /nfs/dbraw/zinc/67/99/72/452679972.db2.gz NITBWPIOLOIISN-NUJGCVRESA-N 2 1 333.476 1.938 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC2([NH3+])CCC2)c1 ZINC000645688732 452690329 /nfs/dbraw/zinc/69/03/29/452690329.db2.gz UJAVLWUHJZLQPY-HNNXBMFYSA-N 2 1 330.432 1.346 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC2([NH3+])CCC2)c1 ZINC000645688732 452690336 /nfs/dbraw/zinc/69/03/36/452690336.db2.gz UJAVLWUHJZLQPY-HNNXBMFYSA-N 2 1 330.432 1.346 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCN(C)CCC[NH+](C)C)C1 ZINC000664003150 452703762 /nfs/dbraw/zinc/70/37/62/452703762.db2.gz OISRUHCWNAEIRD-QGZVFWFLSA-N 3 1 341.544 1.290 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC000655936236 452706466 /nfs/dbraw/zinc/70/64/66/452706466.db2.gz BAVCBOGCTMIWAK-CYBMUJFWSA-N 2 1 325.403 1.684 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000661955822 452718598 /nfs/dbraw/zinc/71/85/98/452718598.db2.gz RPNZCRQANFGTMW-JYJNAYRXSA-N 2 1 340.512 1.658 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000661955822 452718610 /nfs/dbraw/zinc/71/86/10/452718610.db2.gz RPNZCRQANFGTMW-JYJNAYRXSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649603 452741179 /nfs/dbraw/zinc/74/11/79/452741179.db2.gz IYUIJTHJCQQPKQ-MWDXBVQZSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649603 452741192 /nfs/dbraw/zinc/74/11/92/452741192.db2.gz IYUIJTHJCQQPKQ-MWDXBVQZSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969995 452751438 /nfs/dbraw/zinc/75/14/38/452751438.db2.gz PHNICMXUQAOQNQ-LVQVYYBASA-N 2 1 326.485 1.316 20 0 EDADMP C[C@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969995 452751444 /nfs/dbraw/zinc/75/14/44/452751444.db2.gz PHNICMXUQAOQNQ-LVQVYYBASA-N 2 1 326.485 1.316 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652897 452753912 /nfs/dbraw/zinc/75/39/12/452753912.db2.gz USRJDNBVXRWRMC-OAGGEKHMSA-N 2 1 328.501 1.466 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652897 452753923 /nfs/dbraw/zinc/75/39/23/452753923.db2.gz USRJDNBVXRWRMC-OAGGEKHMSA-N 2 1 328.501 1.466 20 0 EDADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000654726531 452840837 /nfs/dbraw/zinc/84/08/37/452840837.db2.gz ULTXGCQYAOGOKL-ROUUACIJSA-N 2 1 343.475 1.930 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654729931 452847270 /nfs/dbraw/zinc/84/72/70/452847270.db2.gz YCMHGBANUJMADY-IAGOWNOFSA-N 2 1 338.496 1.367 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654729931 452847275 /nfs/dbraw/zinc/84/72/75/452847275.db2.gz YCMHGBANUJMADY-IAGOWNOFSA-N 2 1 338.496 1.367 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654729930 452848062 /nfs/dbraw/zinc/84/80/62/452848062.db2.gz YCMHGBANUJMADY-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654729930 452848072 /nfs/dbraw/zinc/84/80/72/452848072.db2.gz YCMHGBANUJMADY-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP CC[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000648163162 452872185 /nfs/dbraw/zinc/87/21/85/452872185.db2.gz ARHFBIRFBWZVDK-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP [NH3+]C1CCC(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000648178042 452888920 /nfs/dbraw/zinc/88/89/20/452888920.db2.gz LOPKRQRDTTVHEK-UHFFFAOYSA-N 2 1 344.503 1.614 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650656848 452910885 /nfs/dbraw/zinc/91/08/85/452910885.db2.gz DLVOBVNJVUVCCU-DOTOQJQBSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650656848 452910892 /nfs/dbraw/zinc/91/08/92/452910892.db2.gz DLVOBVNJVUVCCU-DOTOQJQBSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650656848 452910899 /nfs/dbraw/zinc/91/08/99/452910899.db2.gz DLVOBVNJVUVCCU-DOTOQJQBSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650656848 452910906 /nfs/dbraw/zinc/91/09/06/452910906.db2.gz DLVOBVNJVUVCCU-DOTOQJQBSA-N 2 1 338.496 1.101 20 0 EDADMP Cc1cccc(NC(=O)[C@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)n1 ZINC000660033096 452943850 /nfs/dbraw/zinc/94/38/50/452943850.db2.gz FKBMYLONFBTXAS-DLBZAZTESA-N 2 1 348.491 1.742 20 0 EDADMP Cc1cccc(NC(=O)[C@H]2CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)n1 ZINC000660033096 452943854 /nfs/dbraw/zinc/94/38/54/452943854.db2.gz FKBMYLONFBTXAS-DLBZAZTESA-N 2 1 348.491 1.742 20 0 EDADMP Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)n1 ZINC000660033096 452943858 /nfs/dbraw/zinc/94/38/58/452943858.db2.gz FKBMYLONFBTXAS-DLBZAZTESA-N 2 1 348.491 1.742 20 0 EDADMP Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2)n1 ZINC000660033096 452943865 /nfs/dbraw/zinc/94/38/65/452943865.db2.gz FKBMYLONFBTXAS-DLBZAZTESA-N 2 1 348.491 1.742 20 0 EDADMP CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662251033 452975397 /nfs/dbraw/zinc/97/53/97/452975397.db2.gz WLLDJURGFOUAQD-AWEZNQCLSA-N 2 1 337.489 1.094 20 0 EDADMP NC(=O)[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccc(F)cc1 ZINC000656256139 452992595 /nfs/dbraw/zinc/99/25/95/452992595.db2.gz UMNRZFFAVMGQIH-YJBOKZPZSA-N 2 1 349.450 1.313 20 0 EDADMP CN1CC[NH+](CC2CC[NH+](Cc3cc4n(n3)CCCC4)CC2)CC1 ZINC000656261036 452993437 /nfs/dbraw/zinc/99/34/37/452993437.db2.gz CEHMUMMLXSUXBA-UHFFFAOYSA-N 2 1 331.508 1.679 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662270702 453000549 /nfs/dbraw/zinc/00/05/49/453000549.db2.gz CGLDGPQWKZQDCY-QGZVFWFLSA-N 3 1 330.476 1.152 20 0 EDADMP CC[NH+]1CCC(NC(=O)CN2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662293775 453016882 /nfs/dbraw/zinc/01/68/82/453016882.db2.gz SZLIMPKJBYSHLR-QGZVFWFLSA-N 2 1 336.524 1.299 20 0 EDADMP C[N@H+](CCCCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000656308255 453047802 /nfs/dbraw/zinc/04/78/02/453047802.db2.gz WACYCASADLGNHF-KRWDZBQOSA-N 2 1 338.496 1.367 20 0 EDADMP C[N@@H+](CCCCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000656308255 453047811 /nfs/dbraw/zinc/04/78/11/453047811.db2.gz WACYCASADLGNHF-KRWDZBQOSA-N 2 1 338.496 1.367 20 0 EDADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000662337067 453053025 /nfs/dbraw/zinc/05/30/25/453053025.db2.gz JAFUGIFZAZJANY-INIZCTEOSA-N 2 1 326.448 1.594 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCN2C[C@@H](C)OC[C@H]2C)C1 ZINC000664395701 453059350 /nfs/dbraw/zinc/05/93/50/453059350.db2.gz IYNZHNSMLCQVLO-BRWVUGGUSA-N 2 1 340.512 1.373 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000656325745 453075160 /nfs/dbraw/zinc/07/51/60/453075160.db2.gz YCVIHGVQGQIRSA-UHFFFAOYSA-N 2 1 340.512 1.167 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CCOCC3)CC1 ZINC000646100177 453101776 /nfs/dbraw/zinc/10/17/76/453101776.db2.gz PAXNWQURYUODTQ-INIZCTEOSA-N 2 1 337.508 1.866 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000654995133 453112098 /nfs/dbraw/zinc/11/20/98/453112098.db2.gz VHYLKQZNEDJCNH-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000664467838 453119397 /nfs/dbraw/zinc/11/93/97/453119397.db2.gz BHNUBDTXOZOYRP-ZFWWWQNUSA-N 2 1 336.484 1.358 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000664467838 453119406 /nfs/dbraw/zinc/11/94/06/453119406.db2.gz BHNUBDTXOZOYRP-ZFWWWQNUSA-N 2 1 336.484 1.358 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)C1 ZINC000662463314 453173299 /nfs/dbraw/zinc/17/32/99/453173299.db2.gz YDRCICNTKKZWDY-IEBWSBKVSA-N 2 1 342.487 1.459 20 0 EDADMP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+]1CC(C)C1 ZINC000655069238 453192843 /nfs/dbraw/zinc/19/28/43/453192843.db2.gz RDSOUUGYPQXJAU-XYJFISCASA-N 2 1 347.507 1.602 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000662482110 453197190 /nfs/dbraw/zinc/19/71/90/453197190.db2.gz HLADLAQTUJIEHF-WMZOPIPTSA-N 2 1 333.476 1.862 20 0 EDADMP C[N@@H+](CCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000662490535 453207640 /nfs/dbraw/zinc/20/76/40/453207640.db2.gz QLCPXEDOWWFTOR-AWEZNQCLSA-N 2 1 345.422 1.488 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000662497311 453213667 /nfs/dbraw/zinc/21/36/67/453213667.db2.gz RJGHOKQZPQKWGW-YOEHRIQHSA-N 2 1 335.448 1.392 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000662497311 453213672 /nfs/dbraw/zinc/21/36/72/453213672.db2.gz RJGHOKQZPQKWGW-YOEHRIQHSA-N 2 1 335.448 1.392 20 0 EDADMP CC[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662503877 453219697 /nfs/dbraw/zinc/21/96/97/453219697.db2.gz YURNZMUKTKQXKA-QRVBRYPASA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662503877 453219702 /nfs/dbraw/zinc/21/97/02/453219702.db2.gz YURNZMUKTKQXKA-QRVBRYPASA-N 2 1 345.487 1.782 20 0 EDADMP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000660336107 453226507 /nfs/dbraw/zinc/22/65/07/453226507.db2.gz HUELPOZQTDEJNQ-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000660336107 453226516 /nfs/dbraw/zinc/22/65/16/453226516.db2.gz HUELPOZQTDEJNQ-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000660336107 453226527 /nfs/dbraw/zinc/22/65/27/453226527.db2.gz HUELPOZQTDEJNQ-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](O)CC[C@H]3C)CC2)CC1 ZINC000655151723 453267277 /nfs/dbraw/zinc/26/72/77/453267277.db2.gz BJAPRWFJGMZPIN-QAPCUYQASA-N 2 1 337.508 1.555 20 0 EDADMP c1cc(N2CCOCC2)nc(NCC2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC000664646751 453282670 /nfs/dbraw/zinc/28/26/70/453282670.db2.gz KPPOHRXZEDWONJ-UHFFFAOYSA-N 2 1 331.464 1.847 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)[NH+]1CCOCC1 ZINC000653107299 453289922 /nfs/dbraw/zinc/28/99/22/453289922.db2.gz CROOPLKFDIWTBS-KURKYZTESA-N 2 1 337.508 1.770 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CC[N@H+]1C ZINC000648828476 453310611 /nfs/dbraw/zinc/31/06/11/453310611.db2.gz FLQIUMXCPWGJRH-RHSMWYFYSA-N 2 1 345.491 1.891 20 0 EDADMP [NH3+]CC1(CCNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662583432 453310988 /nfs/dbraw/zinc/31/09/88/453310988.db2.gz ZYRNXEBFODTQDP-GFCCVEGCSA-N 2 1 326.238 1.694 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000662589452 453317092 /nfs/dbraw/zinc/31/70/92/453317092.db2.gz CHDCXLPHIKKGBM-GDBMZVCRSA-N 2 1 333.480 1.658 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000648857536 453332535 /nfs/dbraw/zinc/33/25/35/453332535.db2.gz DAIVKUXNNMUFCY-FHLIZLRMSA-N 2 1 331.460 1.210 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000648857536 453332543 /nfs/dbraw/zinc/33/25/43/453332543.db2.gz DAIVKUXNNMUFCY-FHLIZLRMSA-N 2 1 331.460 1.210 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000648857536 453332547 /nfs/dbraw/zinc/33/25/47/453332547.db2.gz DAIVKUXNNMUFCY-FHLIZLRMSA-N 2 1 331.460 1.210 20 0 EDADMP C[C@@H](CCNC(=O)[C@H]([NH3+])c1ccccc1Br)[NH+](C)C ZINC000662632303 453347799 /nfs/dbraw/zinc/34/77/99/453347799.db2.gz BKHQWMQCNXAZSP-GXFFZTMASA-N 2 1 328.254 1.905 20 0 EDADMP COC[C@@H](C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)OC ZINC000660538189 453384823 /nfs/dbraw/zinc/38/48/23/453384823.db2.gz NFDDDNGDKRWSRG-WOJBJXKFSA-N 2 1 347.503 1.540 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC000653194623 453385053 /nfs/dbraw/zinc/38/50/53/453385053.db2.gz PUVFDAGUFARJBH-BJLQDIEVSA-N 2 1 343.471 1.475 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC000653194623 453385060 /nfs/dbraw/zinc/38/50/60/453385060.db2.gz PUVFDAGUFARJBH-BJLQDIEVSA-N 2 1 343.471 1.475 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3nc(C)cn3c2)C1 ZINC000658779721 453386059 /nfs/dbraw/zinc/38/60/59/453386059.db2.gz VXECWAODABKEMP-CQSZACIVSA-N 2 1 329.404 1.182 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662675933 453393707 /nfs/dbraw/zinc/39/37/07/453393707.db2.gz QYTKRASMUCJPBU-ATZDWAIDSA-N 2 1 345.487 1.899 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662680848 453400314 /nfs/dbraw/zinc/40/03/14/453400314.db2.gz MDPVDIMLASDZDS-LSDHHAIUSA-N 2 1 334.468 1.197 20 0 EDADMP Cn1nnnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000651256279 453402107 /nfs/dbraw/zinc/40/21/07/453402107.db2.gz DLMCQVVOZIPVSI-KSZLIROESA-N 2 1 340.475 1.785 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)CCSC1 ZINC000662683333 453405039 /nfs/dbraw/zinc/40/50/39/453405039.db2.gz YALHEKOUCKYKCL-UKRRQHHQSA-N 2 1 329.416 1.518 20 0 EDADMP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000655298234 453419224 /nfs/dbraw/zinc/41/92/24/453419224.db2.gz ALSIEDINTBFXFT-KSZLIROESA-N 2 1 331.460 1.347 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662699625 453420756 /nfs/dbraw/zinc/42/07/56/453420756.db2.gz CYEQYOBOSKOUCX-CALCHBBNSA-N 2 1 348.535 1.678 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H]1CC[NH3+] ZINC000653240737 453424001 /nfs/dbraw/zinc/42/40/01/453424001.db2.gz RRCLOKXPUXZVAB-NEWSRXKRSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H]1CC[NH3+] ZINC000653240737 453424010 /nfs/dbraw/zinc/42/40/10/453424010.db2.gz RRCLOKXPUXZVAB-NEWSRXKRSA-N 2 1 345.487 1.863 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000662704746 453428538 /nfs/dbraw/zinc/42/85/38/453428538.db2.gz GNXRGLPZWZEGRH-ARFHVFGLSA-N 2 1 333.476 1.136 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3([NH3+])CC3)cc2)C1 ZINC000662707279 453430583 /nfs/dbraw/zinc/43/05/83/453430583.db2.gz IOTDWKQXYNUPGG-AWEZNQCLSA-N 2 1 330.432 1.204 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000662720512 453445454 /nfs/dbraw/zinc/44/54/54/453445454.db2.gz GAJYRGLAWSFORH-DLBZAZTESA-N 2 1 331.460 1.473 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)cc1 ZINC000662786888 453520913 /nfs/dbraw/zinc/52/09/13/453520913.db2.gz ZNEIALAHNFUZQP-QZTJIDSGSA-N 2 1 347.459 1.093 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662846723 453568418 /nfs/dbraw/zinc/56/84/18/453568418.db2.gz UFTQDZBFAMOKSF-GJZGRUSLSA-N 2 1 348.495 1.443 20 0 EDADMP C[C@@H]1CN(CCNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@H](C)CO1 ZINC000665117021 453580622 /nfs/dbraw/zinc/58/06/22/453580622.db2.gz BJCNCWKYNXPZAM-BZUAXINKSA-N 2 1 326.485 1.127 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660827736 453591584 /nfs/dbraw/zinc/59/15/84/453591584.db2.gz SSLPBAAGGPIFGG-YOEHRIQHSA-N 2 1 336.480 1.023 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000660828071 453591663 /nfs/dbraw/zinc/59/16/63/453591663.db2.gz USBWEMQGTNWKSA-MRXNPFEDSA-N 2 1 328.501 1.374 20 0 EDADMP CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901326 453596190 /nfs/dbraw/zinc/59/61/90/453596190.db2.gz VLEBGZZXZYXHHG-WNHJNPCNSA-N 2 1 348.535 1.534 20 0 EDADMP CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901326 453596194 /nfs/dbraw/zinc/59/61/94/453596194.db2.gz VLEBGZZXZYXHHG-WNHJNPCNSA-N 2 1 348.535 1.534 20 0 EDADMP C[C@@H]1[C@H](CO)CCC[NH+]1CC1(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)COC1 ZINC000665270639 453631435 /nfs/dbraw/zinc/63/14/35/453631435.db2.gz KFXWIGRVZCYXMA-BDXSIMOUSA-N 2 1 340.508 1.189 20 0 EDADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291210 453637846 /nfs/dbraw/zinc/63/78/46/453637846.db2.gz WXTHGWXPHQXMDZ-GFCCVEGCSA-N 2 1 329.404 1.172 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000663004052 453643796 /nfs/dbraw/zinc/64/37/96/453643796.db2.gz OPMBBWWVIMDWSG-CABCVRRESA-N 2 1 331.464 1.338 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000665552075 453744275 /nfs/dbraw/zinc/74/42/75/453744275.db2.gz VGWGLSUNXHWLIF-GDBMZVCRSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000665552075 453744281 /nfs/dbraw/zinc/74/42/81/453744281.db2.gz VGWGLSUNXHWLIF-GDBMZVCRSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000665552075 453744283 /nfs/dbraw/zinc/74/42/83/453744283.db2.gz VGWGLSUNXHWLIF-GDBMZVCRSA-N 2 1 338.496 1.100 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665556555 453749223 /nfs/dbraw/zinc/74/92/23/453749223.db2.gz ZKTXNMDGAYSTOE-CVEARBPZSA-N 2 1 340.512 1.611 20 0 EDADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000663496227 453810221 /nfs/dbraw/zinc/81/02/21/453810221.db2.gz DVBIZHORDXYGAL-CXAGYDPISA-N 3 1 336.505 1.507 20 0 EDADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3nc4c(s3)C[NH2+]CC4)CC2)C1 ZINC000663495806 453810256 /nfs/dbraw/zinc/81/02/56/453810256.db2.gz BDAGEKHLTVUERU-DZGCQCFKSA-N 3 1 336.505 1.507 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NC3C4CC5CC(C4)CC3C5)C[C@@H]21 ZINC000573848278 486742062 /nfs/dbraw/zinc/74/20/62/486742062.db2.gz XQIKXNXIORXLBX-VAFNWZARSA-N 2 1 331.504 1.987 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NC3C4CC5CC(C4)CC3C5)C[C@@H]21 ZINC000573848278 486742065 /nfs/dbraw/zinc/74/20/65/486742065.db2.gz XQIKXNXIORXLBX-VAFNWZARSA-N 2 1 331.504 1.987 20 0 EDADMP C[C@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000683574476 486760978 /nfs/dbraw/zinc/76/09/78/486760978.db2.gz QKOIHYLRIAVMEP-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](NC(=O)NCC[N@H+]1CCCC(C)(C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000683574476 486760982 /nfs/dbraw/zinc/76/09/82/486760982.db2.gz QKOIHYLRIAVMEP-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](NC(=O)NCC[NH+]1CCCC(C)(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000683574476 486760987 /nfs/dbraw/zinc/76/09/87/486760987.db2.gz QKOIHYLRIAVMEP-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](NC(=O)NCC[NH+]1CCCC(C)(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000683574476 486760990 /nfs/dbraw/zinc/76/09/90/486760990.db2.gz QKOIHYLRIAVMEP-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672900374 486834493 /nfs/dbraw/zinc/83/44/93/486834493.db2.gz YTDQBCKSLJXDFL-UHFFFAOYSA-N 2 1 340.512 1.207 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000165804022 486847355 /nfs/dbraw/zinc/84/73/55/486847355.db2.gz RTVIAASSCLDEDA-SJORKVTESA-N 2 1 344.459 1.069 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000430871487 486895881 /nfs/dbraw/zinc/89/58/81/486895881.db2.gz XUGFVXAKUDQXPA-HYVNUMGLSA-N 2 1 344.459 1.450 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000683986372 486897146 /nfs/dbraw/zinc/89/71/46/486897146.db2.gz WMOXLZSPYPRSFL-XHSDSOJGSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000683986372 486897151 /nfs/dbraw/zinc/89/71/51/486897151.db2.gz WMOXLZSPYPRSFL-XHSDSOJGSA-N 2 1 340.512 1.467 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)c1 ZINC000667769551 486958476 /nfs/dbraw/zinc/95/84/76/486958476.db2.gz DGCDAOBMEWZRBM-UHFFFAOYSA-N 2 1 347.507 1.944 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667802959 486972855 /nfs/dbraw/zinc/97/28/55/486972855.db2.gz BYIXBWRNYJVTAT-ZDUSSCGKSA-N 2 1 347.463 1.036 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000673640687 487073691 /nfs/dbraw/zinc/07/36/91/487073691.db2.gz JTFKPAFEXKCTTQ-QWFCFKBJSA-N 2 1 343.471 1.366 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000673640687 487073695 /nfs/dbraw/zinc/07/36/95/487073695.db2.gz JTFKPAFEXKCTTQ-QWFCFKBJSA-N 2 1 343.471 1.366 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC000673646526 487075700 /nfs/dbraw/zinc/07/57/00/487075700.db2.gz MHFWMOJYPGCNLW-UHFFFAOYSA-N 3 1 345.491 1.892 20 0 EDADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2n[nH]c3ccccc23)CC1 ZINC000678218392 487267527 /nfs/dbraw/zinc/26/75/27/487267527.db2.gz QGLCYVSJMBFBJZ-UHFFFAOYSA-N 2 1 329.448 1.453 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000681975985 487269166 /nfs/dbraw/zinc/26/91/66/487269166.db2.gz APRUYQCKMIXZGL-CVEARBPZSA-N 2 1 340.512 1.347 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000678350127 487294602 /nfs/dbraw/zinc/29/46/02/487294602.db2.gz SZILTSUWBRIZEJ-NHCUHLMSSA-N 2 1 342.531 1.973 20 0 EDADMP C[NH+]1CCC[C@@H](N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000678350127 487294606 /nfs/dbraw/zinc/29/46/06/487294606.db2.gz SZILTSUWBRIZEJ-NHCUHLMSSA-N 2 1 342.531 1.973 20 0 EDADMP C[NH+]1CCC[C@@H](N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000678350127 487294609 /nfs/dbraw/zinc/29/46/09/487294609.db2.gz SZILTSUWBRIZEJ-NHCUHLMSSA-N 2 1 342.531 1.973 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCc3nn(C)cc32)CC1 ZINC000527283034 487309306 /nfs/dbraw/zinc/30/93/06/487309306.db2.gz RALFEUKHIZEQPA-MRXNPFEDSA-N 2 1 333.480 1.330 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)Cc2cncn2Cc2ccccc2)C1 ZINC000685743799 487316940 /nfs/dbraw/zinc/31/69/40/487316940.db2.gz VIYIMJPDDPJYBM-SFHVURJKSA-N 2 1 342.443 1.311 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000678505772 487322181 /nfs/dbraw/zinc/32/21/81/487322181.db2.gz CMJUWAKCXMQTCV-INIZCTEOSA-N 2 1 331.464 1.691 20 0 EDADMP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000682848806 487421829 /nfs/dbraw/zinc/42/18/29/487421829.db2.gz FCBRCDOZZXEWKA-KRWDZBQOSA-N 2 1 348.491 1.863 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679504172 487433136 /nfs/dbraw/zinc/43/31/36/487433136.db2.gz GDLTXZRDJWLFSI-ZDUSSCGKSA-N 2 1 344.419 1.052 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@]12CCCO2 ZINC000679722149 487461663 /nfs/dbraw/zinc/46/16/63/487461663.db2.gz WMAJMUKRAXUQHC-FCGDIQPGSA-N 2 1 338.492 1.946 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000669536277 485516798 /nfs/dbraw/zinc/51/67/98/485516798.db2.gz NOMYIJVBXDIOJE-CYBMUJFWSA-N 2 1 339.871 1.108 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)NC/C=C/C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000669554178 485553829 /nfs/dbraw/zinc/55/38/29/485553829.db2.gz NNOSJIABUXGYMG-DJSXQKDESA-N 2 1 344.459 1.787 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000669561107 485569204 /nfs/dbraw/zinc/56/92/04/485569204.db2.gz JPUQDRHWAUANON-AHCXZYCDSA-N 2 1 330.476 1.947 20 0 EDADMP CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000668347786 485614439 /nfs/dbraw/zinc/61/44/39/485614439.db2.gz DWBOZCBVQIOVFQ-INIZCTEOSA-N 2 1 340.512 1.164 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000325603836 485744339 /nfs/dbraw/zinc/74/43/39/485744339.db2.gz PCXKWMSQPGAIHF-KRWDZBQOSA-N 2 1 331.460 1.385 20 0 EDADMP CC1([NH3+])CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000669312709 485959762 /nfs/dbraw/zinc/95/97/62/485959762.db2.gz BWBDPNRGUKUPKP-UHFFFAOYSA-N 2 1 330.476 1.958 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000668809924 486219058 /nfs/dbraw/zinc/21/90/58/486219058.db2.gz YBMIRNTZGCDOIV-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)NCC3C[NH2+]C3)CCCCC2)CCO1 ZINC000669470724 486223284 /nfs/dbraw/zinc/22/32/84/486223284.db2.gz GWCAWWZTIYHKNC-UHFFFAOYSA-N 2 1 338.496 1.319 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000669931756 486517447 /nfs/dbraw/zinc/51/74/47/486517447.db2.gz WPIXYGIJXJUCFP-GOSISDBHSA-N 2 1 341.459 1.378 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000659471217 486628415 /nfs/dbraw/zinc/62/84/15/486628415.db2.gz QSYDEVVKLBGSQL-VDHUWJSZSA-N 2 1 346.475 1.150 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000659471217 486628420 /nfs/dbraw/zinc/62/84/20/486628420.db2.gz QSYDEVVKLBGSQL-VDHUWJSZSA-N 2 1 346.475 1.150 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)C1CC[NH+](C)CC1 ZINC000130537674 491006104 /nfs/dbraw/zinc/00/61/04/491006104.db2.gz KZYZRYVBVRYUES-MRXNPFEDSA-N 2 1 331.508 1.653 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000153954883 533741063 /nfs/dbraw/zinc/74/10/63/533741063.db2.gz UPPUAOJCIQZKNR-IRXDYDNUSA-N 2 1 344.503 1.776 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000345278704 534898862 /nfs/dbraw/zinc/89/88/62/534898862.db2.gz MFAPODGUZKJRFU-INIZCTEOSA-N 2 1 334.464 1.513 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000187175580 528535776 /nfs/dbraw/zinc/53/57/76/528535776.db2.gz HZTTWCXTXUPREN-MRXNPFEDSA-N 2 1 340.443 1.042 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000131994042 529079241 /nfs/dbraw/zinc/07/92/41/529079241.db2.gz AJNRFXKRRYTHMS-MRXNPFEDSA-N 2 1 349.479 1.306 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000236717633 535048447 /nfs/dbraw/zinc/04/84/47/535048447.db2.gz ZXQWXDNSMYMVPA-LBPRGKRZSA-N 2 1 325.375 1.083 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2csc(C[NH3+])n2)[C@H](C)C1 ZINC000262669813 535519639 /nfs/dbraw/zinc/51/96/39/535519639.db2.gz MVJNNMOPBZVSIA-CHWSQXEVSA-N 2 1 340.493 1.469 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)c2csc(C[NH3+])n2)[C@H](C)C1 ZINC000262669813 535519645 /nfs/dbraw/zinc/51/96/45/535519645.db2.gz MVJNNMOPBZVSIA-CHWSQXEVSA-N 2 1 340.493 1.469 20 0 EDADMP CC[NH+](CC)CCNC(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000077826482 535535079 /nfs/dbraw/zinc/53/50/79/535535079.db2.gz WNMJLGKSTSDPJP-INIZCTEOSA-N 2 1 336.480 1.939 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccccn1 ZINC000263847050 535592087 /nfs/dbraw/zinc/59/20/87/535592087.db2.gz XZADQJRDPCTLCV-SFHVURJKSA-N 2 1 332.492 1.889 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262658707 535720326 /nfs/dbraw/zinc/72/03/26/535720326.db2.gz WAWSENTVISFAGZ-DLBZAZTESA-N 2 1 330.476 1.890 20 0 EDADMP CC[C@@H](CSC)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000091100033 535767415 /nfs/dbraw/zinc/76/74/15/535767415.db2.gz AJKQVMGTEZDDOC-JKSUJKDBSA-N 2 1 345.553 1.533 20 0 EDADMP CC[C@@H](CSC)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000091100033 535767417 /nfs/dbraw/zinc/76/74/17/535767417.db2.gz AJKQVMGTEZDDOC-JKSUJKDBSA-N 2 1 345.553 1.533 20 0 EDADMP CC[C@@H](CSC)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000091100033 535767419 /nfs/dbraw/zinc/76/74/19/535767419.db2.gz AJKQVMGTEZDDOC-JKSUJKDBSA-N 2 1 345.553 1.533 20 0 EDADMP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000353423846 535777678 /nfs/dbraw/zinc/77/76/78/535777678.db2.gz FOSXZHSDMSBFLH-IBGZPJMESA-N 2 1 342.491 1.594 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000353077680 535915601 /nfs/dbraw/zinc/91/56/01/535915601.db2.gz DCPCJRNDSPVYGM-UHFFFAOYSA-N 2 1 348.491 1.863 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)cn1 ZINC000333849657 536054617 /nfs/dbraw/zinc/05/46/17/536054617.db2.gz PUSWAPMVMJBJDM-RDJZCZTQSA-N 2 1 348.495 1.261 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)cn1 ZINC000333849657 536054619 /nfs/dbraw/zinc/05/46/19/536054619.db2.gz PUSWAPMVMJBJDM-RDJZCZTQSA-N 2 1 348.495 1.261 20 0 EDADMP COCCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262014615 536717536 /nfs/dbraw/zinc/71/75/36/536717536.db2.gz VVUFZEGMCKYFDY-QRVBRYPASA-N 2 1 334.460 1.959 20 0 EDADMP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1OC ZINC000261950117 536840422 /nfs/dbraw/zinc/84/04/22/536840422.db2.gz OFELAGDORKJNAL-ZACQAIPSSA-N 2 1 334.460 1.993 20 0 EDADMP CO[C@@H](C[NH3+])Cc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000339359965 536893704 /nfs/dbraw/zinc/89/37/04/536893704.db2.gz MYSFIYXKZFJQJV-OAHLLOKOSA-N 2 1 332.404 1.085 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)[C@@H]3CCC[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000237554169 536914372 /nfs/dbraw/zinc/91/43/72/536914372.db2.gz PJBLRLMJZZBYEO-SQNIBIBYSA-N 2 1 329.444 1.841 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)[C@@H]3CCC[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000237554169 536914375 /nfs/dbraw/zinc/91/43/75/536914375.db2.gz PJBLRLMJZZBYEO-SQNIBIBYSA-N 2 1 329.444 1.841 20 0 EDADMP CCC[N@H+](C)C[C@H]1CCN(C(=S)NCCC[NH+]2CCOCC2)C1 ZINC000743023379 579468260 /nfs/dbraw/zinc/46/82/60/579468260.db2.gz CRGSCORGLKJVAW-MRXNPFEDSA-N 2 1 342.553 1.247 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=S)NCCC[NH+]2CCOCC2)C1 ZINC000743023379 579468261 /nfs/dbraw/zinc/46/82/61/579468261.db2.gz CRGSCORGLKJVAW-MRXNPFEDSA-N 2 1 342.553 1.247 20 0 EDADMP O=C(Nc1ccc(F)cc1)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000726189579 578336131 /nfs/dbraw/zinc/33/61/31/578336131.db2.gz DKIUZKXSAXVBSD-GOSISDBHSA-N 2 1 349.450 1.933 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(c2ncc[nH]2)CC1 ZINC000729620040 578585289 /nfs/dbraw/zinc/58/52/89/578585289.db2.gz OZDFNSSJDQUFQN-HUUCEWRRSA-N 2 1 333.436 1.162 20 0 EDADMP Cc1ccc2oc(=O)n(C[NH+]3CCC(OCC[NH+](C)C)CC3)c2c1 ZINC000738211370 578625458 /nfs/dbraw/zinc/62/54/58/578625458.db2.gz VORWVEWMZAXAMI-UHFFFAOYSA-N 2 1 333.432 1.903 20 0 EDADMP CC1=C(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C(=O)OC1(C)C ZINC000733164434 578745478 /nfs/dbraw/zinc/74/54/78/578745478.db2.gz SQSZERQOCNIKRG-UHFFFAOYSA-N 2 1 337.464 1.123 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000734277310 578804538 /nfs/dbraw/zinc/80/45/38/578804538.db2.gz UBVVRKALJBQYLE-NVXWUHKLSA-N 2 1 338.496 1.271 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[N@H+](CC)CCO3)cc2)CC1 ZINC000746098137 579571782 /nfs/dbraw/zinc/57/17/82/579571782.db2.gz ADRMGNLPLDOYPC-SFHVURJKSA-N 2 1 346.475 1.488 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)cc2)CC1 ZINC000746098137 579571784 /nfs/dbraw/zinc/57/17/84/579571784.db2.gz ADRMGNLPLDOYPC-SFHVURJKSA-N 2 1 346.475 1.488 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CC(C(=O)OC)=C(C)O2)C1 ZINC000778220353 580459027 /nfs/dbraw/zinc/45/90/27/580459027.db2.gz DVHZFYFDMBNBDB-HZPDHXFCSA-N 2 1 340.464 1.655 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC000762246744 580070574 /nfs/dbraw/zinc/07/05/74/580070574.db2.gz JYCCXZMSIQVNEK-UHFFFAOYSA-N 2 1 336.524 1.488 20 0 EDADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765977653 580155671 /nfs/dbraw/zinc/15/56/71/580155671.db2.gz RHIZWPAMTZJIDS-WBVHZDCISA-N 2 1 325.497 1.866 20 0 EDADMP CC(C)CCc1noc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000779652974 580493195 /nfs/dbraw/zinc/49/31/95/580493195.db2.gz RVKYEFVCESZZDJ-ZDUSSCGKSA-N 2 1 339.440 1.766 20 0 EDADMP CC(C)CCc1noc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000779652974 580493196 /nfs/dbraw/zinc/49/31/96/580493196.db2.gz RVKYEFVCESZZDJ-ZDUSSCGKSA-N 2 1 339.440 1.766 20 0 EDADMP C[C@@H]1CC[C@@]2(CC[N@@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)C1 ZINC000781585023 580552935 /nfs/dbraw/zinc/55/29/35/580552935.db2.gz BKBSUGNICBFNCN-RHSMWYFYSA-N 2 1 334.464 1.472 20 0 EDADMP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782184558 580568779 /nfs/dbraw/zinc/56/87/79/580568779.db2.gz TYCCTMQCKMXCLK-CYBMUJFWSA-N 2 1 325.478 1.669 20 0 EDADMP COC(=O)[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000794802011 580906185 /nfs/dbraw/zinc/90/61/85/580906185.db2.gz CREHLDWXTCKIRX-IEBWSBKVSA-N 2 1 332.444 1.260 20 0 EDADMP COC(=O)[C@]1(c2ccccc2)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000794802011 580906186 /nfs/dbraw/zinc/90/61/86/580906186.db2.gz CREHLDWXTCKIRX-IEBWSBKVSA-N 2 1 332.444 1.260 20 0 EDADMP COC(=O)/C(C)=C/C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000796277129 580949895 /nfs/dbraw/zinc/94/98/95/580949895.db2.gz VCADYMQZHSVONS-GIJQJNRQSA-N 2 1 345.487 1.855 20 0 EDADMP CON(C)C(=O)CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000799122811 581017427 /nfs/dbraw/zinc/01/74/27/581017427.db2.gz WOWRRJFZBHOKOR-UHFFFAOYSA-N 2 1 348.491 1.146 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)CCC(F)(F)F ZINC000891857289 590658333 /nfs/dbraw/zinc/65/83/33/590658333.db2.gz UJPRTHPXSUJUCI-OLZOCXBDSA-N 2 1 336.402 1.797 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891865418 590662258 /nfs/dbraw/zinc/66/22/58/590662258.db2.gz OVSPWGBFGFFSRA-QWHCGFSZSA-N 2 1 332.439 1.651 20 0 EDADMP Cc1nn(C)c(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1Cl ZINC000893259723 590740989 /nfs/dbraw/zinc/74/09/89/590740989.db2.gz HMHMLOQRGYDPMJ-ZDUSSCGKSA-N 2 1 343.903 1.564 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000892049756 590772596 /nfs/dbraw/zinc/77/25/96/590772596.db2.gz YNLWJZMFNHMBCP-JLSDUUJJSA-N 2 1 330.476 1.791 20 0 EDADMP COCC[NH+](CCOC)C1CCN(c2nc(N(C)C)cc[nH+]2)CC1 ZINC000804818976 590783742 /nfs/dbraw/zinc/78/37/42/590783742.db2.gz MNNFLQQKYNKYFY-UHFFFAOYSA-N 2 1 337.468 1.106 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)CCC[NH3+])C1 ZINC000892139290 590819401 /nfs/dbraw/zinc/81/94/01/590819401.db2.gz MYSNCQFRIFTLSE-SJLPKXTDSA-N 2 1 348.491 1.622 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)CCC[NH3+])C1 ZINC000892139290 590819405 /nfs/dbraw/zinc/81/94/05/590819405.db2.gz MYSNCQFRIFTLSE-SJLPKXTDSA-N 2 1 348.491 1.622 20 0 EDADMP C[C@H]1C[N@H+](Cc2cn3ccnc3s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000892154552 590826318 /nfs/dbraw/zinc/82/63/18/590826318.db2.gz ZBQSOYAOGWBHMH-HOCLYGCPSA-N 2 1 333.505 1.854 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cn3ccnc3s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000892154552 590826323 /nfs/dbraw/zinc/82/63/23/590826323.db2.gz ZBQSOYAOGWBHMH-HOCLYGCPSA-N 2 1 333.505 1.854 20 0 EDADMP C[C@@H](CNC(=O)N1CCCCC[C@@H]([NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232891 590877626 /nfs/dbraw/zinc/87/76/26/590877626.db2.gz OUNSKEFVVNEXQA-CAOSSQGBSA-N 2 1 326.485 1.397 20 0 EDADMP C[C@@H](CNC(=O)N1CCCCC[C@@H]([NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232891 590877627 /nfs/dbraw/zinc/87/76/27/590877627.db2.gz OUNSKEFVVNEXQA-CAOSSQGBSA-N 2 1 326.485 1.397 20 0 EDADMP O=S1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000893486954 590903484 /nfs/dbraw/zinc/90/34/84/590903484.db2.gz JBHNXTRHCKLQDN-OTQYULQBSA-N 2 1 336.501 1.644 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892489138 591046633 /nfs/dbraw/zinc/04/66/33/591046633.db2.gz FCSLSGOBLYXTRH-HNNXBMFYSA-N 2 1 340.512 1.253 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1C(F)(F)F ZINC000891364815 591062208 /nfs/dbraw/zinc/06/22/08/591062208.db2.gz YKMWXSWVRWDUGW-FVCCEPFGSA-N 2 1 334.386 1.392 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C)CCO2)C1 ZINC000892536576 591064779 /nfs/dbraw/zinc/06/47/79/591064779.db2.gz QPLZBCJGGFLYPN-ZWKOTPCHSA-N 2 1 346.475 1.199 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)C1 ZINC000892536576 591064784 /nfs/dbraw/zinc/06/47/84/591064784.db2.gz QPLZBCJGGFLYPN-ZWKOTPCHSA-N 2 1 346.475 1.199 20 0 EDADMP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000892574111 591077463 /nfs/dbraw/zinc/07/74/63/591077463.db2.gz JGSLKAZUZDQQIE-QGZVFWFLSA-N 2 1 342.491 1.442 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@H]3COC(C)(C)O3)cc2)CC1 ZINC000892582948 591080738 /nfs/dbraw/zinc/08/07/38/591080738.db2.gz OQGADURXZZUCJZ-KRWDZBQOSA-N 2 1 347.459 1.315 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892599759 591088960 /nfs/dbraw/zinc/08/89/60/591088960.db2.gz ULLRQMCMCDOTER-FJIDUMEYSA-N 2 1 334.508 1.890 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000893770559 591091995 /nfs/dbraw/zinc/09/19/95/591091995.db2.gz IHNBNRZELNIRGN-JENIJYKNSA-N 2 1 336.524 1.948 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000893770559 591091999 /nfs/dbraw/zinc/09/19/99/591091999.db2.gz IHNBNRZELNIRGN-JENIJYKNSA-N 2 1 336.524 1.948 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000893770559 591092002 /nfs/dbraw/zinc/09/20/02/591092002.db2.gz IHNBNRZELNIRGN-JENIJYKNSA-N 2 1 336.524 1.948 20 0 EDADMP COCCC1(NC(=O)NCC[N@@H+](C)C2CCCC2)CC[NH2+]CC1 ZINC000891518383 591104757 /nfs/dbraw/zinc/10/47/57/591104757.db2.gz QDSMSBDHFJEGDI-UHFFFAOYSA-N 2 1 326.485 1.319 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891538102 591113215 /nfs/dbraw/zinc/11/32/15/591113215.db2.gz JVTDYUVUGBAJNE-OAHLLOKOSA-N 2 1 326.485 1.319 20 0 EDADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000891605463 591146710 /nfs/dbraw/zinc/14/67/10/591146710.db2.gz FAGJJGKPEBYSKM-HOTGVXAUSA-N 2 1 337.512 1.068 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1C ZINC000892760506 591165638 /nfs/dbraw/zinc/16/56/38/591165638.db2.gz QEXLYDQCBCHJRO-HZPDHXFCSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1C ZINC000892780608 591173198 /nfs/dbraw/zinc/17/31/98/591173198.db2.gz SMIJMCKJRUIRCV-OAGGEKHMSA-N 2 1 338.496 1.269 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000892793486 591178148 /nfs/dbraw/zinc/17/81/48/591178148.db2.gz NIBILKRDQYGSAS-VNHYZAJKSA-N 2 1 346.313 1.692 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000892793486 591178151 /nfs/dbraw/zinc/17/81/51/591178151.db2.gz NIBILKRDQYGSAS-VNHYZAJKSA-N 2 1 346.313 1.692 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000891740912 591206399 /nfs/dbraw/zinc/20/63/99/591206399.db2.gz ZWLVGQVDNYWELN-MRXNPFEDSA-N 2 1 328.501 1.421 20 0 EDADMP C[C@H](NC(=O)NCC[C@@H]([NH3+])Cc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000891764486 591215692 /nfs/dbraw/zinc/21/56/92/591215692.db2.gz FHHNSZWJZNCHMZ-MAUKXSAKSA-N 2 1 330.476 1.896 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000892944851 591233186 /nfs/dbraw/zinc/23/31/86/591233186.db2.gz OZPCAUZFFGTBQT-ZACQAIPSSA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892944851 591233188 /nfs/dbraw/zinc/23/31/88/591233188.db2.gz OZPCAUZFFGTBQT-ZACQAIPSSA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892944851 591233191 /nfs/dbraw/zinc/23/31/91/591233191.db2.gz OZPCAUZFFGTBQT-ZACQAIPSSA-N 2 1 338.496 1.101 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000895627328 591235223 /nfs/dbraw/zinc/23/52/23/591235223.db2.gz FQECYXUWYHYHBV-OWCLPIDISA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895627328 591235225 /nfs/dbraw/zinc/23/52/25/591235225.db2.gz FQECYXUWYHYHBV-OWCLPIDISA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000895627328 591235227 /nfs/dbraw/zinc/23/52/27/591235227.db2.gz FQECYXUWYHYHBV-OWCLPIDISA-N 2 1 338.496 1.100 20 0 EDADMP F[C@@H]1CC2(CC[C@H]1[NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)OCCO2 ZINC000893014356 591254570 /nfs/dbraw/zinc/25/45/70/591254570.db2.gz VXYKEVHIRYHRJK-DJIMGWMZSA-N 2 1 342.455 1.711 20 0 EDADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2C(=O)NCC23CCOCC3)CC1 ZINC000895769664 591268835 /nfs/dbraw/zinc/26/88/35/591268835.db2.gz AZVDSUNJTFNVOQ-NXHRZFHOSA-N 2 1 349.519 1.914 20 0 EDADMP CN(C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000895898909 591299210 /nfs/dbraw/zinc/29/92/10/591299210.db2.gz BYOCOGBHBNRIDP-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](C)C1 ZINC000895898909 591299211 /nfs/dbraw/zinc/29/92/11/591299211.db2.gz BYOCOGBHBNRIDP-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP CCc1[nH]c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C(=O)OC ZINC000894567916 591347579 /nfs/dbraw/zinc/34/75/79/591347579.db2.gz YHCJIXUFWHFNES-AWEZNQCLSA-N 2 1 337.464 1.954 20 0 EDADMP CCc1[nH]c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1C(=O)OC ZINC000894567916 591347581 /nfs/dbraw/zinc/34/75/81/591347581.db2.gz YHCJIXUFWHFNES-AWEZNQCLSA-N 2 1 337.464 1.954 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894764313 591413765 /nfs/dbraw/zinc/41/37/65/591413765.db2.gz GZNSQTJPCBUQAX-QLFBSQMISA-N 2 1 347.450 1.389 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000894885980 591458514 /nfs/dbraw/zinc/45/85/14/591458514.db2.gz UBDZXWITZOHRSW-OWYHZJEWSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC000894885980 591458518 /nfs/dbraw/zinc/45/85/18/591458518.db2.gz UBDZXWITZOHRSW-OWYHZJEWSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC000894885980 591458522 /nfs/dbraw/zinc/45/85/22/591458522.db2.gz UBDZXWITZOHRSW-OWYHZJEWSA-N 2 1 342.487 1.995 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000897469796 591471883 /nfs/dbraw/zinc/47/18/83/591471883.db2.gz RBHBFSCIBVYTGG-INIZCTEOSA-N 2 1 340.512 1.328 20 0 EDADMP C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000897490502 591495131 /nfs/dbraw/zinc/49/51/31/591495131.db2.gz IDHCNVFDYGIFFW-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000897490502 591495135 /nfs/dbraw/zinc/49/51/35/591495135.db2.gz IDHCNVFDYGIFFW-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1C[N@H+](C)CCN1C ZINC000896536060 591501097 /nfs/dbraw/zinc/50/10/97/591501097.db2.gz USBCWQOMXGCLQN-NXWXRZEISA-N 2 1 344.503 1.430 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896536060 591501100 /nfs/dbraw/zinc/50/11/00/591501100.db2.gz USBCWQOMXGCLQN-NXWXRZEISA-N 2 1 344.503 1.430 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1CN(C)CCN1C ZINC000896536060 591501101 /nfs/dbraw/zinc/50/11/01/591501101.db2.gz USBCWQOMXGCLQN-NXWXRZEISA-N 2 1 344.503 1.430 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@H]1CN(C)CCN1C ZINC000896536060 591501103 /nfs/dbraw/zinc/50/11/03/591501103.db2.gz USBCWQOMXGCLQN-NXWXRZEISA-N 2 1 344.503 1.430 20 0 EDADMP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896568957 591523864 /nfs/dbraw/zinc/52/38/64/591523864.db2.gz QJWSBIGWXQNDKZ-VQIMIIECSA-N 2 1 344.503 1.647 20 0 EDADMP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C12CCC2 ZINC000898828068 591550490 /nfs/dbraw/zinc/55/04/90/591550490.db2.gz BCUNJVPPTXLART-HZPDHXFCSA-N 2 1 332.448 1.873 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000897695948 591621119 /nfs/dbraw/zinc/62/11/19/591621119.db2.gz WJPUEKSZBYCMFT-KDOFPFPSSA-N 2 1 341.496 1.821 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000899224052 591741137 /nfs/dbraw/zinc/74/11/37/591741137.db2.gz MHFHPRMGNGLTPH-AWEZNQCLSA-N 2 1 345.447 1.128 20 0 EDADMP CC(=O)N1CC[NH+](Cc2cccc(-c3cnn(C)c3C[NH3+])c2)CC1 ZINC000899322714 591775065 /nfs/dbraw/zinc/77/50/65/591775065.db2.gz JEPIYZPXBPLVBO-UHFFFAOYSA-N 2 1 327.432 1.210 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000900023491 591871483 /nfs/dbraw/zinc/87/14/83/591871483.db2.gz MFVNPEMZNKZDBA-ROUUACIJSA-N 2 1 334.508 1.243 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000900045116 591881580 /nfs/dbraw/zinc/88/15/80/591881580.db2.gz LSODAGVALBLLIE-HXUWFJFHSA-N 2 1 345.487 1.568 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000900045116 591881582 /nfs/dbraw/zinc/88/15/82/591881582.db2.gz LSODAGVALBLLIE-HXUWFJFHSA-N 2 1 345.487 1.568 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000900045116 591881585 /nfs/dbraw/zinc/88/15/85/591881585.db2.gz LSODAGVALBLLIE-HXUWFJFHSA-N 2 1 345.487 1.568 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000900188170 591933717 /nfs/dbraw/zinc/93/37/17/591933717.db2.gz LRBPDUQTPDHDAO-HZPDHXFCSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000900188170 591933719 /nfs/dbraw/zinc/93/37/19/591933719.db2.gz LRBPDUQTPDHDAO-HZPDHXFCSA-N 2 1 339.480 1.252 20 0 EDADMP COc1c[nH]c(CO)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1=O ZINC000902195657 591942336 /nfs/dbraw/zinc/94/23/36/591942336.db2.gz MYLVLWHFBANHEB-CXAGYDPISA-N 2 1 347.459 1.325 20 0 EDADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc1 ZINC000900228512 591956638 /nfs/dbraw/zinc/95/66/38/591956638.db2.gz NFKNUMWBLVCNRK-QFBILLFUSA-N 2 1 349.475 1.801 20 0 EDADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cc1 ZINC000900228512 591956640 /nfs/dbraw/zinc/95/66/40/591956640.db2.gz NFKNUMWBLVCNRK-QFBILLFUSA-N 2 1 349.475 1.801 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900299785 591980079 /nfs/dbraw/zinc/98/00/79/591980079.db2.gz JWCDWFJJVSGMJE-PKOBYXMFSA-N 2 1 333.476 1.122 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900339109 591988995 /nfs/dbraw/zinc/98/89/95/591988995.db2.gz LJQXKGYWBLWTNR-MAUKXSAKSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900339109 591988996 /nfs/dbraw/zinc/98/89/96/591988996.db2.gz LJQXKGYWBLWTNR-MAUKXSAKSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900339109 591988998 /nfs/dbraw/zinc/98/89/98/591988998.db2.gz LJQXKGYWBLWTNR-MAUKXSAKSA-N 2 1 325.497 1.460 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000900327464 591991546 /nfs/dbraw/zinc/99/15/46/591991546.db2.gz ZFCVJSWAZSRLQO-MJGOQNOKSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000900327464 591991548 /nfs/dbraw/zinc/99/15/48/591991548.db2.gz ZFCVJSWAZSRLQO-MJGOQNOKSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000900327464 591991549 /nfs/dbraw/zinc/99/15/49/591991549.db2.gz ZFCVJSWAZSRLQO-MJGOQNOKSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C34CC[NH+](CC3)C4)c2)CCO1 ZINC000900369540 591998978 /nfs/dbraw/zinc/99/89/78/591998978.db2.gz SMJLIFGYOFSAIS-MRXNPFEDSA-N 2 1 343.471 1.619 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C34CC[NH+](CC3)C4)c2)CCO1 ZINC000900369540 591998981 /nfs/dbraw/zinc/99/89/81/591998981.db2.gz SMJLIFGYOFSAIS-MRXNPFEDSA-N 2 1 343.471 1.619 20 0 EDADMP CN(c1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1)S(C)(=O)=O ZINC000902515829 592008761 /nfs/dbraw/zinc/00/87/61/592008761.db2.gz YHEWMCWZNAOMFY-HZPDHXFCSA-N 2 1 325.478 1.832 20 0 EDADMP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900669029 592086860 /nfs/dbraw/zinc/08/68/60/592086860.db2.gz HJPWVUJYLOOLHE-GBESFXJTSA-N 2 1 348.535 1.630 20 0 EDADMP CN(C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900669029 592086861 /nfs/dbraw/zinc/08/68/61/592086861.db2.gz HJPWVUJYLOOLHE-GBESFXJTSA-N 2 1 348.535 1.630 20 0 EDADMP CN(C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900669029 592086864 /nfs/dbraw/zinc/08/68/64/592086864.db2.gz HJPWVUJYLOOLHE-GBESFXJTSA-N 2 1 348.535 1.630 20 0 EDADMP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000900669029 592086866 /nfs/dbraw/zinc/08/68/66/592086866.db2.gz HJPWVUJYLOOLHE-GBESFXJTSA-N 2 1 348.535 1.630 20 0 EDADMP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000900669029 592086868 /nfs/dbraw/zinc/08/68/68/592086868.db2.gz HJPWVUJYLOOLHE-GBESFXJTSA-N 2 1 348.535 1.630 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)CC(C)C ZINC000900685452 592093814 /nfs/dbraw/zinc/09/38/14/592093814.db2.gz TUACXXVKCAJOJX-SJLPKXTDSA-N 2 1 327.513 1.706 20 0 EDADMP CN(C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000900709488 592101612 /nfs/dbraw/zinc/10/16/12/592101612.db2.gz ZDWRYGDFMVTEGJ-UYAOXDASSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900733424 592112009 /nfs/dbraw/zinc/11/20/09/592112009.db2.gz DSEKLFPKSUZXNO-ZTNFWEORSA-N 2 1 345.487 1.783 20 0 EDADMP Cc1nc([C@@H]2C[C@@H](O)[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)n[nH]1 ZINC000903205125 592137133 /nfs/dbraw/zinc/13/71/33/592137133.db2.gz CUWZYQBZYAJPQE-DHSXIMMHSA-N 2 1 345.491 1.715 20 0 EDADMP Cc1n[nH]c([C@@H]2C[C@@H](O)[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)n1 ZINC000903205125 592137136 /nfs/dbraw/zinc/13/71/36/592137136.db2.gz CUWZYQBZYAJPQE-DHSXIMMHSA-N 2 1 345.491 1.715 20 0 EDADMP Cc1n[nH]c([C@@H]2C[C@@H](O)[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)n1 ZINC000903205125 592137138 /nfs/dbraw/zinc/13/71/38/592137138.db2.gz CUWZYQBZYAJPQE-DHSXIMMHSA-N 2 1 345.491 1.715 20 0 EDADMP Cc1nnc([C@@H]2C[C@@H](O)[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)[nH]1 ZINC000903205125 592137140 /nfs/dbraw/zinc/13/71/40/592137140.db2.gz CUWZYQBZYAJPQE-DHSXIMMHSA-N 2 1 345.491 1.715 20 0 EDADMP Cc1nnc([C@@H]2C[C@@H](O)[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)[nH]1 ZINC000903205125 592137141 /nfs/dbraw/zinc/13/71/41/592137141.db2.gz CUWZYQBZYAJPQE-DHSXIMMHSA-N 2 1 345.491 1.715 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)CC[N@@H+]1C ZINC000903240745 592143043 /nfs/dbraw/zinc/14/30/43/592143043.db2.gz BGPFKCALGJUIAM-KOLCDFICSA-N 2 1 334.342 1.084 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)CC[N@H+]1C ZINC000903240745 592143045 /nfs/dbraw/zinc/14/30/45/592143045.db2.gz BGPFKCALGJUIAM-KOLCDFICSA-N 2 1 334.342 1.084 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(C)C)CC2)C1 ZINC000900885826 592156790 /nfs/dbraw/zinc/15/67/90/592156790.db2.gz MKCIHMKGAJHONK-SFHVURJKSA-N 2 1 338.540 1.593 20 0 EDADMP CC(C)O[C@]1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCOC1 ZINC000903357883 592158031 /nfs/dbraw/zinc/15/80/31/592158031.db2.gz PUILIYHFIPLPQV-MSOLQXFVSA-N 2 1 326.481 1.804 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000903444040 592172878 /nfs/dbraw/zinc/17/28/78/592172878.db2.gz NYKUMHGSUVJSOZ-CVEARBPZSA-N 2 1 348.466 1.029 20 0 EDADMP Cc1cc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000900975512 592183266 /nfs/dbraw/zinc/18/32/66/592183266.db2.gz ODLXBKJOJCMLPR-GOSISDBHSA-N 2 1 349.479 1.244 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)Nc1cccc(C)c1)C2 ZINC000903490999 592184651 /nfs/dbraw/zinc/18/46/51/592184651.db2.gz QJFYJPUMTLUAIY-IYOUNJFTSA-N 2 1 331.416 1.146 20 0 EDADMP CCO[C@H](C)c1noc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000903508464 592189463 /nfs/dbraw/zinc/18/94/63/592189463.db2.gz HTWOHNTWUKCITF-BMFZPTHFSA-N 2 1 349.479 1.568 20 0 EDADMP CC(C)CCc1noc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)n1 ZINC000903525757 592197905 /nfs/dbraw/zinc/19/79/05/592197905.db2.gz ZHWKLYYXFZDCGH-KDOFPFPSSA-N 2 1 349.479 1.395 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000906677119 592257779 /nfs/dbraw/zinc/25/77/79/592257779.db2.gz JTQJCOIANSFNKB-ROUUACIJSA-N 2 1 338.540 1.498 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000906677119 592257784 /nfs/dbraw/zinc/25/77/84/592257784.db2.gz JTQJCOIANSFNKB-ROUUACIJSA-N 2 1 338.540 1.498 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000906677119 592257786 /nfs/dbraw/zinc/25/77/86/592257786.db2.gz JTQJCOIANSFNKB-ROUUACIJSA-N 2 1 338.540 1.498 20 0 EDADMP O=C(NCc1nc(CN2CCCCC2)no1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000908009080 592260223 /nfs/dbraw/zinc/26/02/23/592260223.db2.gz CZWCZNPTTRTNEX-GJZGRUSLSA-N 2 1 347.463 1.689 20 0 EDADMP O=C(NCc1nc(CN2CCCCC2)no1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908009081 592260431 /nfs/dbraw/zinc/26/04/31/592260431.db2.gz CZWCZNPTTRTNEX-HUUCEWRRSA-N 2 1 347.463 1.689 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000901156852 592265213 /nfs/dbraw/zinc/26/52/13/592265213.db2.gz IEFJOSSTMVKVHD-WBVHZDCISA-N 2 1 345.491 1.534 20 0 EDADMP c1ccn2c(c1)nnc2[C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903732458 592288478 /nfs/dbraw/zinc/28/84/78/592288478.db2.gz DWFJNRUHSNTCPN-GJYPPUQNSA-N 2 1 341.459 1.677 20 0 EDADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000903753570 592296756 /nfs/dbraw/zinc/29/67/56/592296756.db2.gz WKSMYIHECWNQNR-DAYGRLMNSA-N 2 1 331.464 1.630 20 0 EDADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000903753570 592296757 /nfs/dbraw/zinc/29/67/57/592296757.db2.gz WKSMYIHECWNQNR-DAYGRLMNSA-N 2 1 331.464 1.630 20 0 EDADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000903753570 592296760 /nfs/dbraw/zinc/29/67/60/592296760.db2.gz WKSMYIHECWNQNR-DAYGRLMNSA-N 2 1 331.464 1.630 20 0 EDADMP CCOC(=O)N1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903753103 592296895 /nfs/dbraw/zinc/29/68/95/592296895.db2.gz RFRXJGDMPHWFPY-OAHLLOKOSA-N 2 1 325.453 1.309 20 0 EDADMP Cc1ncc(CN2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)s1 ZINC000903740101 592301867 /nfs/dbraw/zinc/30/18/67/592301867.db2.gz DFSGKCFWPYTJIA-NVXWUHKLSA-N 2 1 336.505 1.338 20 0 EDADMP Cc1nc(C)n(C[C@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903740620 592303570 /nfs/dbraw/zinc/30/35/70/592303570.db2.gz XZETVCKOCUUUQC-ROUUACIJSA-N 2 1 347.507 1.766 20 0 EDADMP O=C1NCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H]1CC1CCCCC1 ZINC000903760002 592306751 /nfs/dbraw/zinc/30/67/51/592306751.db2.gz DTGSTBVDMOHMHZ-YQVWRLOYSA-N 2 1 335.492 1.526 20 0 EDADMP O=C1NCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H]1CC1CCCCC1 ZINC000903760002 592306757 /nfs/dbraw/zinc/30/67/57/592306757.db2.gz DTGSTBVDMOHMHZ-YQVWRLOYSA-N 2 1 335.492 1.526 20 0 EDADMP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@@H]3CCCC[NH2+]C3)OCCN2C)cn1 ZINC000903765857 592309218 /nfs/dbraw/zinc/30/92/18/592309218.db2.gz LIKGBYYYFLAYMY-NJAFHUGGSA-N 2 1 335.496 1.113 20 0 EDADMP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@@H]3CCCC[NH2+]C3)OCCN2C)cn1 ZINC000903765857 592309222 /nfs/dbraw/zinc/30/92/22/592309222.db2.gz LIKGBYYYFLAYMY-NJAFHUGGSA-N 2 1 335.496 1.113 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCOC[C@H]2C[C@H]2CCOC2)cc1 ZINC000903823406 592334701 /nfs/dbraw/zinc/33/47/01/592334701.db2.gz GKXLOPKRSJYMNA-KBAYOESNSA-N 2 1 334.460 1.865 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCOC[C@H]2C[C@H]2CCOC2)cc1 ZINC000903823406 592334706 /nfs/dbraw/zinc/33/47/06/592334706.db2.gz GKXLOPKRSJYMNA-KBAYOESNSA-N 2 1 334.460 1.865 20 0 EDADMP C(C1CCOCC1)[C@@H]1COCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903849607 592344811 /nfs/dbraw/zinc/34/48/11/592344811.db2.gz DZTIEFSUDQIQST-MSOLQXFVSA-N 2 1 338.492 1.663 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cnn1C ZINC000903880078 592360465 /nfs/dbraw/zinc/36/04/65/592360465.db2.gz NYCPRMPGNFAICL-HKUYNNGSSA-N 2 1 349.523 1.033 20 0 EDADMP CC[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]1N1CCOCC1 ZINC000903915081 592365665 /nfs/dbraw/zinc/36/56/65/592365665.db2.gz XYZFDGWNXSMXLF-OXQOHEQNSA-N 2 1 329.488 1.875 20 0 EDADMP Cn1ccnc1[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCN1C ZINC000903913596 592376177 /nfs/dbraw/zinc/37/61/77/592376177.db2.gz PURPZEKOJOTEFD-SFHVURJKSA-N 2 1 325.460 1.555 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCSC3(CCOCC3)C2)cnn1C ZINC000903916881 592389417 /nfs/dbraw/zinc/38/94/17/592389417.db2.gz VWZYGIJSRKUFLE-OAHLLOKOSA-N 2 1 338.521 1.444 20 0 EDADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1(O)CCCC1 ZINC000905098493 592404342 /nfs/dbraw/zinc/40/43/42/592404342.db2.gz SWBPVCLQJLLHFO-MOPGFXCFSA-N 2 1 332.488 1.807 20 0 EDADMP CC[C@](O)(C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C(F)(F)F ZINC000905107480 592408970 /nfs/dbraw/zinc/40/89/70/592408970.db2.gz ZLZPXQKCQYXIQP-AWEZNQCLSA-N 2 1 339.402 1.222 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CC1(O)CCCC1 ZINC000905113210 592412803 /nfs/dbraw/zinc/41/28/03/592412803.db2.gz ZUWPHBDQIITUAX-DLBZAZTESA-N 2 1 326.481 1.276 20 0 EDADMP CSC1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC[NH+](C)CC1 ZINC000908286681 592425391 /nfs/dbraw/zinc/42/53/91/592425391.db2.gz YHSQDWUMEOOMHD-HUUCEWRRSA-N 2 1 325.522 1.947 20 0 EDADMP COCCCN(C(=O)[C@H]1CC[N@H+]1C(C)(C)C)C1CC[NH+](C)CC1 ZINC000908292867 592435095 /nfs/dbraw/zinc/43/50/95/592435095.db2.gz BRQNXWLGGOATCC-MRXNPFEDSA-N 2 1 325.497 1.819 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1C ZINC000904299662 592471482 /nfs/dbraw/zinc/47/14/82/592471482.db2.gz LIFYPFJLQBKELG-OAHLLOKOSA-N 2 1 333.432 1.069 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905334840 592508959 /nfs/dbraw/zinc/50/89/59/592508959.db2.gz DCRSTMSPDDAEBH-OAHLLOKOSA-N 2 1 345.553 1.806 20 0 EDADMP CN1C[C@H](CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000905526204 592561553 /nfs/dbraw/zinc/56/15/53/592561553.db2.gz UPGOVQSFOIHIOC-IEBWSBKVSA-N 2 1 331.460 1.081 20 0 EDADMP CN1C[C@H](CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000905526204 592561554 /nfs/dbraw/zinc/56/15/54/592561554.db2.gz UPGOVQSFOIHIOC-IEBWSBKVSA-N 2 1 331.460 1.081 20 0 EDADMP CCOC(=O)c1cccnc1N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000905702357 592615352 /nfs/dbraw/zinc/61/53/52/592615352.db2.gz DZPAOQLLGOVGGA-IYBDPMFKSA-N 2 1 344.459 1.663 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)CCC3(O)CCC3)C2)nc(C)[nH+]1 ZINC000905931295 592687370 /nfs/dbraw/zinc/68/73/70/592687370.db2.gz LCKCERDNQZSLFA-IRXDYDNUSA-N 2 1 348.491 1.708 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N(C)C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000907569874 592714309 /nfs/dbraw/zinc/71/43/09/592714309.db2.gz PNMZZSJFFFBSRY-QGZVFWFLSA-N 2 1 347.507 1.320 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000909212549 592771097 /nfs/dbraw/zinc/77/10/97/592771097.db2.gz OVFLWCAYDZVVMB-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cccn2CCN2CCOCC2)C1 ZINC000906435630 592817828 /nfs/dbraw/zinc/81/78/28/592817828.db2.gz UEMYKKLZEQQNEC-KRWDZBQOSA-N 2 1 348.491 1.280 20 0 EDADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)C[C@]3(O)CCC[N@@H+](C)C3)cccc21 ZINC000907844966 592824812 /nfs/dbraw/zinc/82/48/12/592824812.db2.gz VEYHUQAGKYCVRK-QFBILLFUSA-N 2 1 347.459 1.857 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC3(CCN3Cc3ccccc3)C2)C1 ZINC000910785677 592891776 /nfs/dbraw/zinc/89/17/76/592891776.db2.gz GISLKVFKBUMJCS-KRWDZBQOSA-N 2 1 329.444 1.194 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CC3(CCN3Cc3ccccc3)C2)C1 ZINC000910785677 592891777 /nfs/dbraw/zinc/89/17/77/592891777.db2.gz GISLKVFKBUMJCS-KRWDZBQOSA-N 2 1 329.444 1.194 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)C1 ZINC000911569404 592950728 /nfs/dbraw/zinc/95/07/28/592950728.db2.gz RZYYZCIEVPQPLJ-CEXWTWQISA-N 2 1 343.471 1.585 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCOc2ccccc21 ZINC000911664242 592973282 /nfs/dbraw/zinc/97/32/82/592973282.db2.gz KEWGIPPYXDBZBK-YJBOKZPZSA-N 2 1 341.411 1.535 20 0 EDADMP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+]2C)cc1 ZINC000911928887 593038327 /nfs/dbraw/zinc/03/83/27/593038327.db2.gz HRLYECYQAXYUKQ-QGZVFWFLSA-N 2 1 348.491 1.911 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1nccs1 ZINC000912302656 593084419 /nfs/dbraw/zinc/08/44/19/593084419.db2.gz FYBZUTWKLBYXBO-ZDUSSCGKSA-N 2 1 326.510 1.809 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1nccs1 ZINC000912302656 593084420 /nfs/dbraw/zinc/08/44/20/593084420.db2.gz FYBZUTWKLBYXBO-ZDUSSCGKSA-N 2 1 326.510 1.809 20 0 EDADMP CC(C)(C)[NH2+]CC[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000841097710 593107675 /nfs/dbraw/zinc/10/76/75/593107675.db2.gz POUKUWLCPFGXMW-UHFFFAOYSA-N 2 1 327.441 1.229 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C1)C2=O ZINC000840116924 593200135 /nfs/dbraw/zinc/20/01/35/593200135.db2.gz RPCQJOXPFPJFSV-FSZRXZPDSA-N 2 1 344.459 1.104 20 0 EDADMP C[C@H]1CC[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000839986923 593297187 /nfs/dbraw/zinc/29/71/87/593297187.db2.gz YONIQYRZAQLWAN-BHYGNILZSA-N 2 1 327.428 1.403 20 0 EDADMP C[C@H]1CC[N@@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000839986923 593297188 /nfs/dbraw/zinc/29/71/88/593297188.db2.gz YONIQYRZAQLWAN-BHYGNILZSA-N 2 1 327.428 1.403 20 0 EDADMP C[C@H]1CC[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000839986923 593297189 /nfs/dbraw/zinc/29/71/89/593297189.db2.gz YONIQYRZAQLWAN-BHYGNILZSA-N 2 1 327.428 1.403 20 0 EDADMP C[C@H]1CC[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000839986923 593297190 /nfs/dbraw/zinc/29/71/90/593297190.db2.gz YONIQYRZAQLWAN-BHYGNILZSA-N 2 1 327.428 1.403 20 0 EDADMP C[C@@H]1C[C@@H](C)[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840006430 593342072 /nfs/dbraw/zinc/34/20/72/593342072.db2.gz CATYKYWJPWUBPY-AHCXZYCDSA-N 2 1 341.455 1.791 20 0 EDADMP C[C@@H]1C[C@@H](C)[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840006430 593342073 /nfs/dbraw/zinc/34/20/73/593342073.db2.gz CATYKYWJPWUBPY-AHCXZYCDSA-N 2 1 341.455 1.791 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000810441471 593402154 /nfs/dbraw/zinc/40/21/54/593402154.db2.gz MWYJURVKEYLSGZ-QAPCUYQASA-N 2 1 341.471 1.380 20 0 EDADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000813328426 593526925 /nfs/dbraw/zinc/52/69/25/593526925.db2.gz JKNIVTYSONPUGL-LBPRGKRZSA-N 2 1 330.432 1.740 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@](O)(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000818167231 593676695 /nfs/dbraw/zinc/67/66/95/593676695.db2.gz RPDVWFKBHKJLAQ-RVKKMQEKSA-N 2 1 339.480 1.290 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000818984927 593732336 /nfs/dbraw/zinc/73/23/36/593732336.db2.gz NABFVBQAEXKXQT-JKSUJKDBSA-N 2 1 343.512 1.972 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](C(C)(C)COC)CC1 ZINC000819022178 593734366 /nfs/dbraw/zinc/73/43/66/593734366.db2.gz DAPXFGCSBOXXQV-HNNXBMFYSA-N 2 1 342.553 1.388 20 0 EDADMP CNC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c1 ZINC000820809114 593895026 /nfs/dbraw/zinc/89/50/26/593895026.db2.gz UJLRMOIQZFOCQF-AYHJJNSGSA-N 2 1 331.460 1.778 20 0 EDADMP CNC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1 ZINC000820809114 593895029 /nfs/dbraw/zinc/89/50/29/593895029.db2.gz UJLRMOIQZFOCQF-AYHJJNSGSA-N 2 1 331.460 1.778 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000821252670 593997597 /nfs/dbraw/zinc/99/75/97/593997597.db2.gz AUMDEXKXOLBZJN-PBHICJAKSA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000821252670 593997599 /nfs/dbraw/zinc/99/75/99/593997599.db2.gz AUMDEXKXOLBZJN-PBHICJAKSA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000821252670 593997600 /nfs/dbraw/zinc/99/76/00/593997600.db2.gz AUMDEXKXOLBZJN-PBHICJAKSA-N 2 1 344.463 1.908 20 0 EDADMP CC(C)[C@H]1C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000824825617 594080832 /nfs/dbraw/zinc/08/08/32/594080832.db2.gz CDCZCIACVFKLTI-YESZJQIVSA-N 2 1 327.513 1.826 20 0 EDADMP CC(C)[C@H]1C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000824825617 594080833 /nfs/dbraw/zinc/08/08/33/594080833.db2.gz CDCZCIACVFKLTI-YESZJQIVSA-N 2 1 327.513 1.826 20 0 EDADMP CC[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825042850 594120876 /nfs/dbraw/zinc/12/08/76/594120876.db2.gz AFOVZPWWRAINOA-SFHVURJKSA-N 2 1 344.463 1.582 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825848959 594261804 /nfs/dbraw/zinc/26/18/04/594261804.db2.gz INUJZSZPNQVSKJ-BRWVUGGUSA-N 2 1 342.447 1.550 20 0 EDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCON2C(=O)c3ccccc3C2=O)C1 ZINC000827813058 594282179 /nfs/dbraw/zinc/28/21/79/594282179.db2.gz JGHACZDOBOZZNM-AWEZNQCLSA-N 2 1 331.416 1.488 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831571906 594684296 /nfs/dbraw/zinc/68/42/96/594684296.db2.gz PKULHJZPBQBPSP-OLZOCXBDSA-N 2 1 330.354 1.534 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831571906 594684297 /nfs/dbraw/zinc/68/42/97/594684297.db2.gz PKULHJZPBQBPSP-OLZOCXBDSA-N 2 1 330.354 1.534 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)c2cn(CCCC[NH3+])nn2)cn1 ZINC000831817855 594705144 /nfs/dbraw/zinc/70/51/44/594705144.db2.gz AFFYKWVHGVAVIZ-UHFFFAOYSA-N 2 1 340.391 1.158 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841286244 594881673 /nfs/dbraw/zinc/88/16/73/594881673.db2.gz AEOFXVWZSJAADB-HNNXBMFYSA-N 2 1 336.436 1.256 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841286245 594881694 /nfs/dbraw/zinc/88/16/94/594881694.db2.gz AEOFXVWZSJAADB-OAHLLOKOSA-N 2 1 336.436 1.256 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841310636 594883776 /nfs/dbraw/zinc/88/37/76/594883776.db2.gz GPZKCZQDFXGKML-JKSUJKDBSA-N 2 1 332.448 1.781 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000841727739 594944579 /nfs/dbraw/zinc/94/45/79/594944579.db2.gz XNXXAGFQCMHANN-BBRMVZONSA-N 2 1 342.447 1.987 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000841944174 594986743 /nfs/dbraw/zinc/98/67/43/594986743.db2.gz BLVPAPVYMNOWMQ-PKOBYXMFSA-N 2 1 346.475 1.017 20 0 EDADMP C[C@H]([NH3+])Cc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000843201122 595032215 /nfs/dbraw/zinc/03/22/15/595032215.db2.gz PGLGLYMLESRJLR-LBPRGKRZSA-N 2 1 329.404 1.014 20 0 EDADMP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)CC[NH+]1CCOCC1 ZINC000846174892 595165435 /nfs/dbraw/zinc/16/54/35/595165435.db2.gz WMLIZWFESZHXSX-UHFFFAOYSA-N 2 1 334.464 1.084 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)CC[NH+]1CCOCC1 ZINC000846174892 595165438 /nfs/dbraw/zinc/16/54/38/595165438.db2.gz WMLIZWFESZHXSX-UHFFFAOYSA-N 2 1 334.464 1.084 20 0 EDADMP CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000835158979 595271230 /nfs/dbraw/zinc/27/12/30/595271230.db2.gz NDIJTZMUTKCSDN-QGZVFWFLSA-N 2 1 344.415 1.781 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000835158979 595271233 /nfs/dbraw/zinc/27/12/33/595271233.db2.gz NDIJTZMUTKCSDN-QGZVFWFLSA-N 2 1 344.415 1.781 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000843061274 595277015 /nfs/dbraw/zinc/27/70/15/595277015.db2.gz DJLGUILQKJZRBY-LSDHHAIUSA-N 2 1 332.366 1.785 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1C)C2 ZINC000843111154 595289053 /nfs/dbraw/zinc/28/90/53/595289053.db2.gz DKZBWCXGMOIBHS-HNAYVOBHSA-N 2 1 347.434 1.812 20 0 EDADMP CC(C)c1[nH+]ccn1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000844174623 595291893 /nfs/dbraw/zinc/29/18/93/595291893.db2.gz OCZJFHFTWOQSRN-UHFFFAOYSA-N 2 1 330.436 1.098 20 0 EDADMP C[C@@H](CCNC(=O)CO[C@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000844189443 595297524 /nfs/dbraw/zinc/29/75/24/595297524.db2.gz MILJLQIZNJXJGC-WMZOPIPTSA-N 2 1 333.476 1.782 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000846961408 595343214 /nfs/dbraw/zinc/34/32/14/595343214.db2.gz WNEWTIGLNMBTDB-QWHCGFSZSA-N 2 1 344.381 1.695 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000846961408 595343217 /nfs/dbraw/zinc/34/32/17/595343217.db2.gz WNEWTIGLNMBTDB-QWHCGFSZSA-N 2 1 344.381 1.695 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nn3ccccc3=O)CC2)CC1 ZINC000848372751 595370295 /nfs/dbraw/zinc/37/02/95/595370295.db2.gz FBJNMIBULYWWLC-UHFFFAOYSA-N 2 1 332.448 1.115 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000847311534 595393889 /nfs/dbraw/zinc/39/38/89/595393889.db2.gz GNQAQLZAEKRCEG-WCXIOVBPSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847311534 595393891 /nfs/dbraw/zinc/39/38/91/595393891.db2.gz GNQAQLZAEKRCEG-WCXIOVBPSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847311534 595393892 /nfs/dbraw/zinc/39/38/92/595393892.db2.gz GNQAQLZAEKRCEG-WCXIOVBPSA-N 2 1 336.480 1.166 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000848521361 595401780 /nfs/dbraw/zinc/40/17/80/595401780.db2.gz SDFFRMJJVASKFY-WMLDXEAASA-N 2 1 326.387 1.841 20 0 EDADMP COc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000848518391 595402193 /nfs/dbraw/zinc/40/21/93/595402193.db2.gz KHGSJKHEBCECFK-OALUTQOASA-N 2 1 334.460 1.962 20 0 EDADMP CCOC(=O)[C@H]1NCC[C@H]1NCCC[N@@H+](CC)C1CCCCC1 ZINC000844922641 595414587 /nfs/dbraw/zinc/41/45/87/595414587.db2.gz OPLKMZKNPWNSKZ-SJORKVTESA-N 2 1 325.497 1.914 20 0 EDADMP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCC[N@H+](CC)C1CCCCC1 ZINC000844922641 595414591 /nfs/dbraw/zinc/41/45/91/595414591.db2.gz OPLKMZKNPWNSKZ-SJORKVTESA-N 2 1 325.497 1.914 20 0 EDADMP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC000844922641 595414595 /nfs/dbraw/zinc/41/45/95/595414595.db2.gz OPLKMZKNPWNSKZ-SJORKVTESA-N 2 1 325.497 1.914 20 0 EDADMP COC(=O)/C=C\c1ccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000848893381 595464405 /nfs/dbraw/zinc/46/44/05/595464405.db2.gz VRSXTYALDWNCNY-JTHGQSKGSA-N 2 1 349.475 1.827 20 0 EDADMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000848999055 595473952 /nfs/dbraw/zinc/47/39/52/595473952.db2.gz NCIWTLRCXVNJPZ-NVXWUHKLSA-N 2 1 332.448 1.215 20 0 EDADMP CCN(C)c1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849101020 595481712 /nfs/dbraw/zinc/48/17/12/595481712.db2.gz VAJOUVFOAMIIFS-UHFFFAOYSA-N 2 1 333.480 1.479 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849508983 595554604 /nfs/dbraw/zinc/55/46/04/595554604.db2.gz KMZLHKSVACKLFX-ROUUACIJSA-N 2 1 347.507 1.304 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000849557268 595565681 /nfs/dbraw/zinc/56/56/81/595565681.db2.gz FZISBBFVWJVBFH-BDXSIMOUSA-N 2 1 347.507 1.444 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849561873 595568399 /nfs/dbraw/zinc/56/83/99/595568399.db2.gz LOSLOIMVDGHVDE-PILAGYSTSA-N 2 1 345.491 1.054 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849561873 595568403 /nfs/dbraw/zinc/56/84/03/595568403.db2.gz LOSLOIMVDGHVDE-PILAGYSTSA-N 2 1 345.491 1.054 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849561873 595568407 /nfs/dbraw/zinc/56/84/07/595568407.db2.gz LOSLOIMVDGHVDE-PILAGYSTSA-N 2 1 345.491 1.054 20 0 EDADMP CCN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000852861333 595581778 /nfs/dbraw/zinc/58/17/78/595581778.db2.gz BULBSUHGZAKZHE-UAGQMJEPSA-N 2 1 344.459 1.774 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](O)c1ccc(Cl)cc1 ZINC000855346728 595681672 /nfs/dbraw/zinc/68/16/72/595681672.db2.gz KEUSAVKORNXYAN-XJKSGUPXSA-N 2 1 341.883 1.762 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](O)c1ccc(Cl)cc1 ZINC000855346728 595681675 /nfs/dbraw/zinc/68/16/75/595681675.db2.gz KEUSAVKORNXYAN-XJKSGUPXSA-N 2 1 341.883 1.762 20 0 EDADMP COC(=O)CN(C)C(=O)CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213974 596006523 /nfs/dbraw/zinc/00/65/23/596006523.db2.gz CZIYEYYJTJYDMI-UHFFFAOYSA-N 2 1 335.448 1.202 20 0 EDADMP CCOC(=O)CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856589814 596024785 /nfs/dbraw/zinc/02/47/85/596024785.db2.gz OCXQVJAGCMPYFA-KRWDZBQOSA-N 2 1 335.448 1.940 20 0 EDADMP CCOC(=O)CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856589814 596024789 /nfs/dbraw/zinc/02/47/89/596024789.db2.gz OCXQVJAGCMPYFA-KRWDZBQOSA-N 2 1 335.448 1.940 20 0 EDADMP CCOC(=O)CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856589814 596024794 /nfs/dbraw/zinc/02/47/94/596024794.db2.gz OCXQVJAGCMPYFA-KRWDZBQOSA-N 2 1 335.448 1.940 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N(C[C@@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)C1 ZINC000854334912 596039641 /nfs/dbraw/zinc/03/96/41/596039641.db2.gz URHRSOIMBXWRHY-WBVHZDCISA-N 2 1 339.524 1.658 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@H](C)[NH+](C)C)C2)ccn1 ZINC000856631840 596039966 /nfs/dbraw/zinc/03/99/66/596039966.db2.gz NLKGDMTZFKDKAE-YOEHRIQHSA-N 2 1 334.464 1.463 20 0 EDADMP C[C@]1(CNC(=O)NCCOCCC[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000861629038 596051766 /nfs/dbraw/zinc/05/17/66/596051766.db2.gz CFULRMMTCPOTMD-LJQANCHMSA-N 2 1 348.491 1.563 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000861984959 596170014 /nfs/dbraw/zinc/17/00/14/596170014.db2.gz OUGDQDHDBWUHQR-OAHLLOKOSA-N 2 1 325.497 1.866 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852514826 596186559 /nfs/dbraw/zinc/18/65/59/596186559.db2.gz LAOOXNLRILYWGW-PMACEKPBSA-N 2 1 331.504 1.692 20 0 EDADMP Cc1ccc(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000852745305 596237429 /nfs/dbraw/zinc/23/74/29/596237429.db2.gz QRNOPEUJKANHAH-UHFFFAOYSA-N 2 1 344.503 1.590 20 0 EDADMP CSC1(CNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC[NH+](C)CC1 ZINC000868626626 596251018 /nfs/dbraw/zinc/25/10/18/596251018.db2.gz KKJIEKNDWLDNPW-HUUCEWRRSA-N 2 1 340.537 1.549 20 0 EDADMP Cn1nnnc1CC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000866663933 596284521 /nfs/dbraw/zinc/28/45/21/596284521.db2.gz PASKLSZAABRKGR-SJORKVTESA-N 2 1 328.464 1.425 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@@H](O)c3ccc(Cl)cc3)nn2)CC1 ZINC000864629746 596290642 /nfs/dbraw/zinc/29/06/42/596290642.db2.gz YICVGRQCWPGJHP-QGZVFWFLSA-N 2 1 349.866 1.631 20 0 EDADMP Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)C2=O)n1 ZINC000866707859 596301958 /nfs/dbraw/zinc/30/19/58/596301958.db2.gz PAQJEEGQIVOZRT-KDOFPFPSSA-N 2 1 333.480 1.612 20 0 EDADMP Cn1ccc(N2CCC[C@@H]([N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)C2=O)n1 ZINC000866707859 596301960 /nfs/dbraw/zinc/30/19/60/596301960.db2.gz PAQJEEGQIVOZRT-KDOFPFPSSA-N 2 1 333.480 1.612 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000866708117 596302699 /nfs/dbraw/zinc/30/26/99/596302699.db2.gz LKXXKOQXEJSOFZ-BMFZPTHFSA-N 2 1 335.379 1.071 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000866757210 596325207 /nfs/dbraw/zinc/32/52/07/596325207.db2.gz MOXRAAIPQLYRDN-HNNXBMFYSA-N 2 1 325.478 1.261 20 0 EDADMP [NH3+][C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000870873813 596385689 /nfs/dbraw/zinc/38/56/89/596385689.db2.gz MOKKGFREJPZIBM-TZMCWYRMSA-N 2 1 338.249 1.802 20 0 EDADMP [NH3+][C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000870873813 596385692 /nfs/dbraw/zinc/38/56/92/596385692.db2.gz MOKKGFREJPZIBM-TZMCWYRMSA-N 2 1 338.249 1.802 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000870888271 596391253 /nfs/dbraw/zinc/39/12/53/596391253.db2.gz LISCCSXTUIVHCP-QBPKDAKJSA-N 2 1 325.497 1.757 20 0 EDADMP [NH3+][C@H]1C[C@@H](CNC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000870963611 596419878 /nfs/dbraw/zinc/41/98/78/596419878.db2.gz PRCCAPMYROXKJK-KNVOCYPGSA-N 2 1 330.251 1.581 20 0 EDADMP CCO[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000864984029 596435725 /nfs/dbraw/zinc/43/57/25/596435725.db2.gz CYKBNWSWAHDIFW-RHSMWYFYSA-N 2 1 348.447 1.214 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1Cc2ccccc2O1 ZINC000869236561 596456191 /nfs/dbraw/zinc/45/61/91/596456191.db2.gz CAZASGCRBIPNHK-RDJZCZTQSA-N 2 1 333.476 1.768 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1Cc2ccccc2O1 ZINC000869236561 596456193 /nfs/dbraw/zinc/45/61/93/596456193.db2.gz CAZASGCRBIPNHK-RDJZCZTQSA-N 2 1 333.476 1.768 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868230360 596736816 /nfs/dbraw/zinc/73/68/16/596736816.db2.gz ZLMNQCVGIUQCFE-UHOFOFEASA-N 2 1 332.448 1.286 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868232185 596738138 /nfs/dbraw/zinc/73/81/38/596738138.db2.gz MRWBBUCIMCXMTH-UQCMEYCASA-N 2 1 342.443 1.039 20 0 EDADMP COC(=O)c1cccc(OCC[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000872150450 596813373 /nfs/dbraw/zinc/81/33/73/596813373.db2.gz FGYQMQZTADIGSS-JSGCOSHPSA-N 2 1 346.349 1.921 20 0 EDADMP COC(=O)c1cccc(OCC[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000872150450 596813375 /nfs/dbraw/zinc/81/33/75/596813375.db2.gz FGYQMQZTADIGSS-JSGCOSHPSA-N 2 1 346.349 1.921 20 0 EDADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1)C1CCCC1 ZINC000872155906 596816242 /nfs/dbraw/zinc/81/62/42/596816242.db2.gz ALDYLNSLRFCFCN-AEFFLSMTSA-N 2 1 337.508 1.855 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000872231146 596846928 /nfs/dbraw/zinc/84/69/28/596846928.db2.gz MTRLIFHCSHMZQR-RBUKOAKNSA-N 2 1 348.487 1.655 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000872231146 596846929 /nfs/dbraw/zinc/84/69/29/596846929.db2.gz MTRLIFHCSHMZQR-RBUKOAKNSA-N 2 1 348.487 1.655 20 0 EDADMP CCOc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1F ZINC000872257101 596857278 /nfs/dbraw/zinc/85/72/78/596857278.db2.gz LEQGCZQMMXHTOC-UNEWFSDZSA-N 2 1 349.406 1.591 20 0 EDADMP CCOc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1F ZINC000872257101 596857281 /nfs/dbraw/zinc/85/72/81/596857281.db2.gz LEQGCZQMMXHTOC-UNEWFSDZSA-N 2 1 349.406 1.591 20 0 EDADMP CC(C)[NH+]1CCC(CCNC(=O)N2CC[N@H+](CCO)C[C@H]2C)CC1 ZINC000876029215 597068645 /nfs/dbraw/zinc/06/86/45/597068645.db2.gz LKBPVCRZFGGEPU-MRXNPFEDSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)[NH+]1CCC(CCNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)CC1 ZINC000876029215 597068648 /nfs/dbraw/zinc/06/86/48/597068648.db2.gz LKBPVCRZFGGEPU-MRXNPFEDSA-N 2 1 340.512 1.205 20 0 EDADMP COCCC1([NH2+]Cc2cc(Br)nn2C)CC[NH2+]CC1 ZINC000873225669 597232694 /nfs/dbraw/zinc/23/26/94/597232694.db2.gz WZOJUSFOYUMSJY-UHFFFAOYSA-N 2 1 331.258 1.431 20 0 EDADMP CC(=O)Nc1ccc2c(c1)C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000873229180 597234736 /nfs/dbraw/zinc/23/47/36/597234736.db2.gz OMDFFHDCHJVNTL-OAHLLOKOSA-N 2 1 344.459 1.200 20 0 EDADMP CC[C@@H]1COCCN1CCNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000875072308 597270496 /nfs/dbraw/zinc/27/04/96/597270496.db2.gz USFUILHIJKNLLN-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000876723234 597306671 /nfs/dbraw/zinc/30/66/71/597306671.db2.gz QMKMZZREAZUCOT-USXIJHARSA-N 2 1 347.507 1.966 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875216726 597336239 /nfs/dbraw/zinc/33/62/39/597336239.db2.gz YLRINCRVUQPDCX-GVDBMIGSSA-N 3 1 341.544 1.098 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000877229437 597469116 /nfs/dbraw/zinc/46/91/16/597469116.db2.gz MMLWYDBUNICHBQ-BHIYHBOVSA-N 2 1 345.487 1.830 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000877229437 597469118 /nfs/dbraw/zinc/46/91/18/597469118.db2.gz MMLWYDBUNICHBQ-BHIYHBOVSA-N 2 1 345.487 1.830 20 0 EDADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000877247635 597478401 /nfs/dbraw/zinc/47/84/01/597478401.db2.gz SJGHOJPOVOKHHT-NSHGMRRFSA-N 2 1 345.487 1.924 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371058 597503380 /nfs/dbraw/zinc/50/33/80/597503380.db2.gz KQOUYACOPOPJAZ-XWIASGKRSA-N 2 1 331.338 1.291 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)cc2)CC1 ZINC000877374932 597504552 /nfs/dbraw/zinc/50/45/52/597504552.db2.gz LIJPBFPEVTZKBC-AZUAARDMSA-N 2 1 342.487 1.116 20 0 EDADMP C[NH+]1CCC2(CCC[N@H+](Cc3cn(C[C@H]4CCOC4)nn3)C2)CC1 ZINC000877496686 597525192 /nfs/dbraw/zinc/52/51/92/597525192.db2.gz WRVBVIAJJVRQDG-MRXNPFEDSA-N 2 1 333.480 1.622 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cn(C[C@H]4CCOC4)nn3)C2)CC1 ZINC000877496686 597525194 /nfs/dbraw/zinc/52/51/94/597525194.db2.gz WRVBVIAJJVRQDG-MRXNPFEDSA-N 2 1 333.480 1.622 20 0 EDADMP C[NH+]1CCN(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000877748217 597552862 /nfs/dbraw/zinc/55/28/62/597552862.db2.gz WXUBWDJNGFZUBN-UHFFFAOYSA-N 2 1 331.460 1.670 20 0 EDADMP COc1cc(C)c(C[N@H+](C)CC(=O)NC2CC[NH+](C)CC2)cc1OC ZINC000877904230 597563307 /nfs/dbraw/zinc/56/33/07/597563307.db2.gz HDKKAMIVBVKWLZ-UHFFFAOYSA-N 2 1 349.475 1.654 20 0 EDADMP COc1cc(C)c(C[N@@H+](C)CC(=O)NC2CC[NH+](C)CC2)cc1OC ZINC000877904230 597563308 /nfs/dbraw/zinc/56/33/08/597563308.db2.gz HDKKAMIVBVKWLZ-UHFFFAOYSA-N 2 1 349.475 1.654 20 0 EDADMP COc1ccccc1[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878121128 597579962 /nfs/dbraw/zinc/57/99/62/597579962.db2.gz NCDJSWVXBBSFEW-HNNXBMFYSA-N 2 1 331.460 1.695 20 0 EDADMP COC(=O)C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000878414721 597600348 /nfs/dbraw/zinc/60/03/48/597600348.db2.gz SIAQRIAOEQCDDU-HKUYNNGSSA-N 2 1 332.444 1.555 20 0 EDADMP COC(=O)C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000878414721 597600349 /nfs/dbraw/zinc/60/03/49/597600349.db2.gz SIAQRIAOEQCDDU-HKUYNNGSSA-N 2 1 332.444 1.555 20 0 EDADMP CCCCCC[C@](O)(C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)C(=O)OC ZINC000879581271 597641897 /nfs/dbraw/zinc/64/18/97/597641897.db2.gz XMULSWQGQVAWMU-JZXOWHBKSA-N 2 1 326.481 1.887 20 0 EDADMP CCCCCC[C@](O)(C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)C(=O)OC ZINC000879581271 597641900 /nfs/dbraw/zinc/64/19/00/597641900.db2.gz XMULSWQGQVAWMU-JZXOWHBKSA-N 2 1 326.481 1.887 20 0 EDADMP CCCCCC[C@](O)(C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)C(=O)OC ZINC000879581271 597641902 /nfs/dbraw/zinc/64/19/02/597641902.db2.gz XMULSWQGQVAWMU-JZXOWHBKSA-N 2 1 326.481 1.887 20 0 EDADMP CCCCCC[C@](O)(C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)C(=O)OC ZINC000879581271 597641906 /nfs/dbraw/zinc/64/19/06/597641906.db2.gz XMULSWQGQVAWMU-JZXOWHBKSA-N 2 1 326.481 1.887 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1)c1ccccc1 ZINC000879623430 597663035 /nfs/dbraw/zinc/66/30/35/597663035.db2.gz VHYFQWFOSSKWAS-DLBZAZTESA-N 2 1 333.476 1.498 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1)c1ccccc1 ZINC000879623430 597663036 /nfs/dbraw/zinc/66/30/36/597663036.db2.gz VHYFQWFOSSKWAS-DLBZAZTESA-N 2 1 333.476 1.498 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000883142449 597665243 /nfs/dbraw/zinc/66/52/43/597665243.db2.gz JEOMJJTYKOOOKG-CRAIPNDOSA-N 2 1 330.476 1.827 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000883142449 597665246 /nfs/dbraw/zinc/66/52/46/597665246.db2.gz JEOMJJTYKOOOKG-CRAIPNDOSA-N 2 1 330.476 1.827 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000883142449 597665248 /nfs/dbraw/zinc/66/52/48/597665248.db2.gz JEOMJJTYKOOOKG-CRAIPNDOSA-N 2 1 330.476 1.827 20 0 EDADMP CC(C)C[N@H+](CC(=O)NCc1ccccn1)CC1CC[NH+](C)CC1 ZINC000879702313 597694506 /nfs/dbraw/zinc/69/45/06/597694506.db2.gz JUQYTAHBSLJMMI-UHFFFAOYSA-N 2 1 332.492 1.998 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883510051 597782260 /nfs/dbraw/zinc/78/22/60/597782260.db2.gz HCJFREWMSSPCGG-VKJFTORMSA-N 2 1 343.475 1.784 20 0 EDADMP O=C(NCC[NH2+]C1CC1)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883586011 597814141 /nfs/dbraw/zinc/81/41/41/597814141.db2.gz CQZHNJBLGSJPNH-SFHVURJKSA-N 2 1 343.475 1.845 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883586378 597814571 /nfs/dbraw/zinc/81/45/71/597814571.db2.gz KQHKZHAKMJOLQB-RHSMWYFYSA-N 2 1 331.464 1.830 20 0 EDADMP [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883586937 597815019 /nfs/dbraw/zinc/81/50/19/597815019.db2.gz VXWKANQGZRHBLU-CRAIPNDOSA-N 2 1 343.475 1.926 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883586756 597815309 /nfs/dbraw/zinc/81/53/09/597815309.db2.gz RUJYXDHIDVFRCV-RHSMWYFYSA-N 2 1 331.464 1.687 20 0 EDADMP COCC[N@H+](CC(=O)NCc1ccc(C)cc1)CC1CC[NH+](C)CC1 ZINC000879124489 597827085 /nfs/dbraw/zinc/82/70/85/597827085.db2.gz YGZAZMAXRWKZRY-UHFFFAOYSA-N 2 1 347.503 1.901 20 0 EDADMP C[N@H+](CCS(N)(=O)=O)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000880085282 597837096 /nfs/dbraw/zinc/83/70/96/597837096.db2.gz HVMDBJPPKGTXCD-UHFFFAOYSA-N 2 1 325.478 1.393 20 0 EDADMP C[N@@H+](CCS(N)(=O)=O)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000880085282 597837098 /nfs/dbraw/zinc/83/70/98/597837098.db2.gz HVMDBJPPKGTXCD-UHFFFAOYSA-N 2 1 325.478 1.393 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](CC2CC2)[C@H](C(N)=O)C2CC2)CC1 ZINC000879485624 597932324 /nfs/dbraw/zinc/93/23/24/597932324.db2.gz FVLUHWMDIUTLLA-SFHVURJKSA-N 2 1 336.524 1.378 20 0 EDADMP C[C@@H](CNC(=O)[C@H]([NH3+])Cc1cc2ccccc2o1)C[NH+]1CCOCC1 ZINC000884206179 598028360 /nfs/dbraw/zinc/02/83/60/598028360.db2.gz OAXQRLXVAMKVCV-WMLDXEAASA-N 2 1 345.443 1.387 20 0 EDADMP C[C@@H](CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C[NH+]1CCOCC1 ZINC000884206314 598028537 /nfs/dbraw/zinc/02/85/37/598028537.db2.gz RMROKOSPWISSHD-WMLDXEAASA-N 2 1 344.459 1.122 20 0 EDADMP C[N@@H+](CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)C1CCCC1 ZINC000884212490 598030810 /nfs/dbraw/zinc/03/08/10/598030810.db2.gz GVOMXHDRYBKEHU-UHFFFAOYSA-N 2 1 331.464 1.095 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)C1 ZINC000884213465 598031978 /nfs/dbraw/zinc/03/19/78/598031978.db2.gz BWVDVIHBZXSOEC-RISCZKNCSA-N 2 1 345.365 1.542 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)C1 ZINC000884213465 598031982 /nfs/dbraw/zinc/03/19/82/598031982.db2.gz BWVDVIHBZXSOEC-RISCZKNCSA-N 2 1 345.365 1.542 20 0 EDADMP CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000884229130 598037391 /nfs/dbraw/zinc/03/73/91/598037391.db2.gz INPXAUQJCXIPCG-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000884229130 598037395 /nfs/dbraw/zinc/03/73/95/598037395.db2.gz INPXAUQJCXIPCG-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000884418870 598099501 /nfs/dbraw/zinc/09/95/01/598099501.db2.gz YQNKUBFPRQWXRS-MOPGFXCFSA-N 2 1 346.519 1.553 20 0 EDADMP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000884418870 598099504 /nfs/dbraw/zinc/09/95/04/598099504.db2.gz YQNKUBFPRQWXRS-MOPGFXCFSA-N 2 1 346.519 1.553 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884503400 598123388 /nfs/dbraw/zinc/12/33/88/598123388.db2.gz KCCHDAOXXNIOCL-CQSZACIVSA-N 2 1 326.485 1.001 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000914078745 695074321 /nfs/dbraw/zinc/07/43/21/695074321.db2.gz HHMIVUSVHDZOTF-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000914078745 695074326 /nfs/dbraw/zinc/07/43/26/695074326.db2.gz HHMIVUSVHDZOTF-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000914078745 695074329 /nfs/dbraw/zinc/07/43/29/695074329.db2.gz HHMIVUSVHDZOTF-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP CC[C@@H](C(=O)N(C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1)[NH+](C)C ZINC001067670885 695164842 /nfs/dbraw/zinc/16/48/42/695164842.db2.gz DNOJFJDQYZTSOF-INIZCTEOSA-N 2 1 340.512 1.118 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000914244219 695303616 /nfs/dbraw/zinc/30/36/16/695303616.db2.gz CZIIHPAJOFDYGU-KRWDZBQOSA-N 2 1 334.439 1.793 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)[NH+]1CCCCC1 ZINC000914293766 695340663 /nfs/dbraw/zinc/34/06/63/695340663.db2.gz PXGDPFSYPHLHKD-OAGGEKHMSA-N 2 1 340.537 1.740 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000914316498 695353546 /nfs/dbraw/zinc/35/35/46/695353546.db2.gz VCWCWVPWWLZGKY-IRXDYDNUSA-N 2 1 333.480 1.858 20 0 EDADMP CCO[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000914334754 695359934 /nfs/dbraw/zinc/35/99/34/695359934.db2.gz DRKTVUGMPOBXDB-CVEARBPZSA-N 2 1 342.528 1.763 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000925418572 695652644 /nfs/dbraw/zinc/65/26/44/695652644.db2.gz VKVPCJNCHVCCBY-FGTMMUONSA-N 2 1 328.460 1.464 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000925418572 695652647 /nfs/dbraw/zinc/65/26/47/695652647.db2.gz VKVPCJNCHVCCBY-FGTMMUONSA-N 2 1 328.460 1.464 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000925418572 695652649 /nfs/dbraw/zinc/65/26/49/695652649.db2.gz VKVPCJNCHVCCBY-FGTMMUONSA-N 2 1 328.460 1.464 20 0 EDADMP CCCC[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993366784 696015503 /nfs/dbraw/zinc/01/55/03/696015503.db2.gz PAUSMLNJOGXCBU-CVEARBPZSA-N 2 1 335.496 1.828 20 0 EDADMP Cc1c(C(=O)N[C@H]2CCC[N@@H+](CCCO)[C@H]2C)ccc2c[nH+]cn21 ZINC000993500174 696179382 /nfs/dbraw/zinc/17/93/82/696179382.db2.gz IRBZAESCYLJVMP-YOEHRIQHSA-N 2 1 330.432 1.608 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@H+]1CCn1cccn1 ZINC000993683174 696306803 /nfs/dbraw/zinc/30/68/03/696306803.db2.gz LMOOQDRYVYBJTH-IRXDYDNUSA-N 2 1 347.507 1.727 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@H+]1CCn1cccn1 ZINC000993803221 696379500 /nfs/dbraw/zinc/37/95/00/696379500.db2.gz HRRIMOROQYPMDN-IRXDYDNUSA-N 2 1 347.507 1.584 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCC[NH+]1CCn1cccn1 ZINC000993803221 696379502 /nfs/dbraw/zinc/37/95/02/696379502.db2.gz HRRIMOROQYPMDN-IRXDYDNUSA-N 2 1 347.507 1.584 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCC[NH+]1CCn1cccn1 ZINC000993803221 696379504 /nfs/dbraw/zinc/37/95/04/696379504.db2.gz HRRIMOROQYPMDN-IRXDYDNUSA-N 2 1 347.507 1.584 20 0 EDADMP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994001127 696500853 /nfs/dbraw/zinc/50/08/53/696500853.db2.gz BXVIBYQIPZFNMA-YOEHRIQHSA-N 2 1 346.475 1.077 20 0 EDADMP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994001127 696500856 /nfs/dbraw/zinc/50/08/56/696500856.db2.gz BXVIBYQIPZFNMA-YOEHRIQHSA-N 2 1 346.475 1.077 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1ccccn1 ZINC000994261164 696674863 /nfs/dbraw/zinc/67/48/63/696674863.db2.gz YYCSXUWLWJQJDG-RDJZCZTQSA-N 2 1 328.460 1.647 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1Cc1ccccn1 ZINC000994261164 696674865 /nfs/dbraw/zinc/67/48/65/696674865.db2.gz YYCSXUWLWJQJDG-RDJZCZTQSA-N 2 1 328.460 1.647 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000916836245 696794458 /nfs/dbraw/zinc/79/44/58/696794458.db2.gz JVHDBFMISWBUIF-OAGGEKHMSA-N 2 1 340.537 1.597 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000916836245 696794459 /nfs/dbraw/zinc/79/44/59/696794459.db2.gz JVHDBFMISWBUIF-OAGGEKHMSA-N 2 1 340.537 1.597 20 0 EDADMP CC1CCN(C(=O)C2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)CC1 ZINC000917067961 696907686 /nfs/dbraw/zinc/90/76/86/696907686.db2.gz FWBUEKYASGQXAW-SFHVURJKSA-N 2 1 337.508 1.414 20 0 EDADMP C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCC[N@H+]1CC1CC(F)(F)C1 ZINC000994512414 696957068 /nfs/dbraw/zinc/95/70/68/696957068.db2.gz YVFWVEPPCDDETH-JSGCOSHPSA-N 2 1 326.391 1.898 20 0 EDADMP Cc1nn(C)cc1CN1CCC[C@@H](NC(=O)Cn2ccnc2)[C@@H]1C ZINC000994513079 696958259 /nfs/dbraw/zinc/95/82/59/696958259.db2.gz YWLMXRPLLOHPDT-GOEBONIOSA-N 2 1 330.436 1.094 20 0 EDADMP Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000940024368 700122829 /nfs/dbraw/zinc/12/28/29/700122829.db2.gz HPCNWJQRHTVZPH-KRWDZBQOSA-N 2 1 346.475 1.191 20 0 EDADMP Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000940024368 700122831 /nfs/dbraw/zinc/12/28/31/700122831.db2.gz HPCNWJQRHTVZPH-KRWDZBQOSA-N 2 1 346.475 1.191 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000918129241 697134670 /nfs/dbraw/zinc/13/46/70/697134670.db2.gz QJJYVIANQNGBEG-HNNXBMFYSA-N 2 1 340.537 1.741 20 0 EDADMP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC001031584357 697279769 /nfs/dbraw/zinc/27/97/69/697279769.db2.gz BZYMXLMBGHQTMQ-ROUUACIJSA-N 2 1 331.460 1.516 20 0 EDADMP Cc1cc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C)c1 ZINC001031594275 697291528 /nfs/dbraw/zinc/29/15/28/697291528.db2.gz XSJHLWWBSIGFPQ-IBGZPJMESA-N 2 1 345.487 1.490 20 0 EDADMP Cc1cc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C)c1 ZINC001031594275 697291530 /nfs/dbraw/zinc/29/15/30/697291530.db2.gz XSJHLWWBSIGFPQ-IBGZPJMESA-N 2 1 345.487 1.490 20 0 EDADMP Cc1cccc([C@H](C)[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC001031596750 697297300 /nfs/dbraw/zinc/29/73/00/697297300.db2.gz OWLFDUSIWPNKNP-YJBOKZPZSA-N 2 1 331.460 1.435 20 0 EDADMP Cc1cccc([C@H](C)[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001031596750 697297301 /nfs/dbraw/zinc/29/73/01/697297301.db2.gz OWLFDUSIWPNKNP-YJBOKZPZSA-N 2 1 331.460 1.435 20 0 EDADMP CCc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001031597248 697297702 /nfs/dbraw/zinc/29/77/02/697297702.db2.gz XVLZZJNEBBBRRJ-IBGZPJMESA-N 2 1 345.487 1.170 20 0 EDADMP CCc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001031597248 697297704 /nfs/dbraw/zinc/29/77/04/697297704.db2.gz XVLZZJNEBBBRRJ-IBGZPJMESA-N 2 1 345.487 1.170 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)o1 ZINC001031668782 697459138 /nfs/dbraw/zinc/45/91/38/697459138.db2.gz NVKPSHPKERCKRD-SJORKVTESA-N 2 1 346.475 1.714 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)o1 ZINC001031668782 697459141 /nfs/dbraw/zinc/45/91/41/697459141.db2.gz NVKPSHPKERCKRD-SJORKVTESA-N 2 1 346.475 1.714 20 0 EDADMP CCO[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C[NH+](C)C ZINC000920659921 697463106 /nfs/dbraw/zinc/46/31/06/697463106.db2.gz QJNOMBYGTCOZMQ-UYTSQGDYSA-N 2 1 326.485 1.268 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921439225 697613482 /nfs/dbraw/zinc/61/34/82/697613482.db2.gz VHGMWKIEFPAGLW-WBVHZDCISA-N 2 1 338.496 1.413 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](C[C@H]3CCCOC3)C2)C1 ZINC001031729622 698055327 /nfs/dbraw/zinc/05/53/27/698055327.db2.gz RDPYALYKAZHXQQ-AEFFLSMTSA-N 2 1 337.508 1.439 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CC2)CC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943515480 698429777 /nfs/dbraw/zinc/42/97/77/698429777.db2.gz HIFUZRABAQNYNG-RHSMWYFYSA-N 2 1 333.480 1.295 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CC3CCC4(CC4)CC3)C2)O1 ZINC001031765862 699058991 /nfs/dbraw/zinc/05/89/91/699058991.db2.gz SAAPATMTHVCPBH-CRAIPNDOSA-N 2 1 349.519 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CC3CCC4(CC4)CC3)C2)O1 ZINC001031765862 699058994 /nfs/dbraw/zinc/05/89/94/699058994.db2.gz SAAPATMTHVCPBH-CRAIPNDOSA-N 2 1 349.519 1.724 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766500 699063368 /nfs/dbraw/zinc/06/33/68/699063368.db2.gz KAMAXBBHDQBPAT-MSOLQXFVSA-N 2 1 345.491 1.293 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766500 699063370 /nfs/dbraw/zinc/06/33/70/699063370.db2.gz KAMAXBBHDQBPAT-MSOLQXFVSA-N 2 1 345.491 1.293 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939129359 699208447 /nfs/dbraw/zinc/20/84/47/699208447.db2.gz WDOCKERCWYIDTJ-CVEARBPZSA-N 2 1 347.507 1.571 20 0 EDADMP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939133977 699219247 /nfs/dbraw/zinc/21/92/47/699219247.db2.gz VGSSRQBZRYSPIA-RHSMWYFYSA-N 2 1 348.491 1.905 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939138457 699236184 /nfs/dbraw/zinc/23/61/84/699236184.db2.gz ZAJNECMJNRMLBN-YOEHRIQHSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nc2c([nH]1)CC[C@H](C(=O)NCC1C[NH+](CC[C@@H]3CCCO3)C1)C2 ZINC001031787112 699241528 /nfs/dbraw/zinc/24/15/28/699241528.db2.gz BBSQAAYEFXXTOU-HOTGVXAUSA-N 2 1 346.475 1.440 20 0 EDADMP CCC[N@H+](CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000183327276 701591012 /nfs/dbraw/zinc/59/10/12/701591012.db2.gz FDXITCQXFMNNIB-HDICACEKSA-N 2 1 341.455 1.935 20 0 EDADMP CCC[N@@H+](CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000183327276 701591013 /nfs/dbraw/zinc/59/10/13/701591013.db2.gz FDXITCQXFMNNIB-HDICACEKSA-N 2 1 341.455 1.935 20 0 EDADMP CCC[NH+](CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000183327276 701591014 /nfs/dbraw/zinc/59/10/14/701591014.db2.gz FDXITCQXFMNNIB-HDICACEKSA-N 2 1 341.455 1.935 20 0 EDADMP CCC[NH+](CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000183327276 701591015 /nfs/dbraw/zinc/59/10/15/701591015.db2.gz FDXITCQXFMNNIB-HDICACEKSA-N 2 1 341.455 1.935 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)co1 ZINC000939258640 699436079 /nfs/dbraw/zinc/43/60/79/699436079.db2.gz SAXHLFJRHLLUEV-GUYCJALGSA-N 2 1 334.464 1.651 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031812938 699487841 /nfs/dbraw/zinc/48/78/41/699487841.db2.gz MGOVXSRVJBOADI-UHFFFAOYSA-N 2 1 346.475 1.722 20 0 EDADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941604362 701593804 /nfs/dbraw/zinc/59/38/04/701593804.db2.gz XQIAFVKPDKASSQ-HKUYNNGSSA-N 2 1 346.519 1.242 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)ccn1 ZINC000939748383 699895120 /nfs/dbraw/zinc/89/51/20/699895120.db2.gz PCSLWTOVANJUCU-XJKSGUPXSA-N 2 1 343.431 1.232 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2)[C@@H](C)C1 ZINC000939753763 699903360 /nfs/dbraw/zinc/90/33/60/699903360.db2.gz IQUJETVAAQWSRB-GUYCJALGSA-N 2 1 330.407 1.967 20 0 EDADMP CCc1nc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)cs1 ZINC000939760003 699927422 /nfs/dbraw/zinc/92/74/22/699927422.db2.gz UFQZEXNJWUTLDG-HIFRSBDPSA-N 2 1 336.505 1.738 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1[NH2+]Cc1cnon1 ZINC000939806602 699955248 /nfs/dbraw/zinc/95/52/48/699955248.db2.gz KSGDWOOKEPESHH-DYVFJYSZSA-N 2 1 343.431 1.382 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1[NH2+]Cc1ccon1 ZINC000939806490 699955401 /nfs/dbraw/zinc/95/54/01/699955401.db2.gz JBUWRDBXVAKLMQ-KDOFPFPSSA-N 2 1 342.443 1.987 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1 ZINC000940149401 700282304 /nfs/dbraw/zinc/28/23/04/700282304.db2.gz KSURMIWBHJLZNO-INIZCTEOSA-N 2 1 349.479 1.803 20 0 EDADMP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000940159353 700292184 /nfs/dbraw/zinc/29/21/84/700292184.db2.gz HEIQHJVFTXCJHO-OAHLLOKOSA-N 2 1 349.479 1.723 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2ccc(F)cn2)CC1 ZINC000940214220 700353883 /nfs/dbraw/zinc/35/38/83/700353883.db2.gz BMYXHEGSPTZBHC-UHFFFAOYSA-N 2 1 345.422 1.897 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3cnon3)CC2)C1 ZINC000940329263 700508280 /nfs/dbraw/zinc/50/82/80/700508280.db2.gz SYIPXMNCZYECMH-UHFFFAOYSA-N 2 1 335.452 1.272 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C)o2)CC1 ZINC000940472555 700657728 /nfs/dbraw/zinc/65/77/28/700657728.db2.gz CXKXWIOVNQPYGZ-OAHLLOKOSA-N 2 1 349.479 1.723 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cnnn2C)CC1 ZINC000940472390 700657808 /nfs/dbraw/zinc/65/78/08/700657808.db2.gz VMZHFMZQXBOONA-GASCZTMLSA-N 2 1 348.495 1.159 20 0 EDADMP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000940461653 700664877 /nfs/dbraw/zinc/66/48/77/700664877.db2.gz HAIGVRVVWHOGLI-UHFFFAOYSA-N 2 1 331.420 1.659 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3cnn(C)c3)CC2(C)C)CC[N@H+]1C ZINC000940756878 700892263 /nfs/dbraw/zinc/89/22/63/700892263.db2.gz LSULWNOBOKKDNC-OIISXLGYSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)c3)CC2(C)C)CC[NH+]1C ZINC000940756878 700892265 /nfs/dbraw/zinc/89/22/65/700892265.db2.gz LSULWNOBOKKDNC-OIISXLGYSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)c3)CC2(C)C)CC[NH+]1C ZINC000940756878 700892267 /nfs/dbraw/zinc/89/22/67/700892267.db2.gz LSULWNOBOKKDNC-OIISXLGYSA-N 2 1 347.507 1.477 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000940892804 700968215 /nfs/dbraw/zinc/96/82/15/700968215.db2.gz LBCVRZOZWZHHSV-DLBZAZTESA-N 2 1 348.491 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000940892804 700968216 /nfs/dbraw/zinc/96/82/16/700968216.db2.gz LBCVRZOZWZHHSV-DLBZAZTESA-N 2 1 348.491 1.835 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCF)CC2(C)C)C1 ZINC000940971819 701014227 /nfs/dbraw/zinc/01/42/27/701014227.db2.gz DBWHBWMFEPFFJQ-HOTGVXAUSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCF)CC2(C)C)C1 ZINC000940971819 701014228 /nfs/dbraw/zinc/01/42/28/701014228.db2.gz DBWHBWMFEPFFJQ-HOTGVXAUSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCCF)CC2(C)C)C1 ZINC000940971819 701014229 /nfs/dbraw/zinc/01/42/29/701014229.db2.gz DBWHBWMFEPFFJQ-HOTGVXAUSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCCF)CC2(C)C)C1 ZINC000940971819 701014230 /nfs/dbraw/zinc/01/42/30/701014230.db2.gz DBWHBWMFEPFFJQ-HOTGVXAUSA-N 2 1 343.487 1.672 20 0 EDADMP CC[C@H](C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1)OC ZINC000941002889 701036648 /nfs/dbraw/zinc/03/66/48/701036648.db2.gz PMGOXIOYYBCVAU-IAGOWNOFSA-N 2 1 339.524 1.970 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3cnoc3C)C2)C1 ZINC001031919703 701049329 /nfs/dbraw/zinc/04/93/29/701049329.db2.gz XYTNEKRCTURKIC-MRXNPFEDSA-N 2 1 334.464 1.653 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3cnoc3C)C2)C1 ZINC001031919703 701049330 /nfs/dbraw/zinc/04/93/30/701049330.db2.gz XYTNEKRCTURKIC-MRXNPFEDSA-N 2 1 334.464 1.653 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3cncn3C)CC2(C)C)C1 ZINC000941033811 701076596 /nfs/dbraw/zinc/07/65/96/701076596.db2.gz VSBGBGRHSUMPDO-WBVHZDCISA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3cncn3C)CC2(C)C)C1 ZINC000941033811 701076599 /nfs/dbraw/zinc/07/65/99/701076599.db2.gz VSBGBGRHSUMPDO-WBVHZDCISA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3cncn3C)CC2(C)C)C1 ZINC000941033811 701076602 /nfs/dbraw/zinc/07/66/02/701076602.db2.gz VSBGBGRHSUMPDO-WBVHZDCISA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3cncn3C)CC2(C)C)C1 ZINC000941033810 701077024 /nfs/dbraw/zinc/07/70/24/701077024.db2.gz VSBGBGRHSUMPDO-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3cncn3C)CC2(C)C)C1 ZINC000941033810 701077026 /nfs/dbraw/zinc/07/70/26/701077026.db2.gz VSBGBGRHSUMPDO-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3cncn3C)CC2(C)C)C1 ZINC000941033810 701077030 /nfs/dbraw/zinc/07/70/30/701077030.db2.gz VSBGBGRHSUMPDO-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000941157892 701221910 /nfs/dbraw/zinc/22/19/10/701221910.db2.gz IROSCFXNATWLJW-QGZVFWFLSA-N 2 1 337.508 1.317 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1C[NH+](C[C@@H]3CCCCO3)C1)CC2 ZINC001031932053 701392822 /nfs/dbraw/zinc/39/28/22/701392822.db2.gz RMTHKUZEDCPYTI-AEFFLSMTSA-N 2 1 346.475 1.371 20 0 EDADMP Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217643 701403962 /nfs/dbraw/zinc/40/39/62/701403962.db2.gz RJUMULCUEGLWKE-DOTOQJQBSA-N 2 1 347.507 1.131 20 0 EDADMP Cn1nccc1CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941217643 701403964 /nfs/dbraw/zinc/40/39/64/701403964.db2.gz RJUMULCUEGLWKE-DOTOQJQBSA-N 2 1 347.507 1.131 20 0 EDADMP Cn1nccc1CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217643 701403966 /nfs/dbraw/zinc/40/39/66/701403966.db2.gz RJUMULCUEGLWKE-DOTOQJQBSA-N 2 1 347.507 1.131 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC3CCCC3)C2)CC1 ZINC000941345577 701480969 /nfs/dbraw/zinc/48/09/69/701480969.db2.gz XWEWMLJGPQWGQA-IBGZPJMESA-N 2 1 348.535 1.489 20 0 EDADMP COc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)cc1 ZINC001031976347 701959665 /nfs/dbraw/zinc/95/96/65/701959665.db2.gz JJUSWNCCBKJGHP-DNVCBOLYSA-N 2 1 345.487 1.483 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1F ZINC001031976465 701962634 /nfs/dbraw/zinc/96/26/34/701962634.db2.gz MMANZFOGDVCLAZ-WMLDXEAASA-N 2 1 333.451 1.880 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cc1F ZINC001031976465 701962638 /nfs/dbraw/zinc/96/26/38/701962638.db2.gz MMANZFOGDVCLAZ-WMLDXEAASA-N 2 1 333.451 1.880 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976697 701971824 /nfs/dbraw/zinc/97/18/24/701971824.db2.gz QTKVHPIRNDUCMK-KSSFIOAISA-N 2 1 347.507 1.518 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976697 701971829 /nfs/dbraw/zinc/97/18/29/701971829.db2.gz QTKVHPIRNDUCMK-KSSFIOAISA-N 2 1 347.507 1.518 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)s1 ZINC001031977255 702015202 /nfs/dbraw/zinc/01/52/02/702015202.db2.gz BNVQHPQIZZKELY-XHDPSFHLSA-N 2 1 336.505 1.506 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](C/C=C/c2ccccc2)C1 ZINC001031979150 702047895 /nfs/dbraw/zinc/04/78/95/702047895.db2.gz ZFYBCYSMMUBBOD-CSZITXDSSA-N 2 1 327.472 1.946 20 0 EDADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)C(C)(C)C ZINC000354657877 702055912 /nfs/dbraw/zinc/05/59/12/702055912.db2.gz YWTFMDMFXFRQCG-HZPDHXFCSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)cn1 ZINC000995833531 702110464 /nfs/dbraw/zinc/11/04/64/702110464.db2.gz QKZVZWSLLUPVTK-XYPHTWIQSA-N 2 1 345.491 1.452 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC3CCOCC3)C2)CC[N@H+]1C ZINC000999199523 706643196 /nfs/dbraw/zinc/64/31/96/706643196.db2.gz HMHXZSVWBAEYDO-FGTMMUONSA-N 2 1 337.508 1.724 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1nccs1 ZINC000995817935 702134144 /nfs/dbraw/zinc/13/41/44/702134144.db2.gz BGHJYGPCDXQVNQ-LSDHHAIUSA-N 2 1 348.516 1.812 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ncccc2C)C1 ZINC001032206347 702144634 /nfs/dbraw/zinc/14/46/34/702144634.db2.gz XSETWMCKBUDEIE-GOSISDBHSA-N 2 1 330.476 1.812 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ncccc2C)C1 ZINC001032206347 702144639 /nfs/dbraw/zinc/14/46/39/702144639.db2.gz XSETWMCKBUDEIE-GOSISDBHSA-N 2 1 330.476 1.812 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000995868924 702152851 /nfs/dbraw/zinc/15/28/51/702152851.db2.gz DUBHXDRRSCUIRX-CVEARBPZSA-N 2 1 348.495 1.016 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000995868924 702152855 /nfs/dbraw/zinc/15/28/55/702152855.db2.gz DUBHXDRRSCUIRX-CVEARBPZSA-N 2 1 348.495 1.016 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995870461 702173550 /nfs/dbraw/zinc/17/35/50/702173550.db2.gz IQHLSPKNLGVYPF-HOTGVXAUSA-N 2 1 334.464 1.876 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995870461 702173553 /nfs/dbraw/zinc/17/35/53/702173553.db2.gz IQHLSPKNLGVYPF-HOTGVXAUSA-N 2 1 334.464 1.876 20 0 EDADMP Cc1nc(C(C)C)oc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032182123 702183824 /nfs/dbraw/zinc/18/38/24/702183824.db2.gz FLLCYWIVCIEDIG-OAHLLOKOSA-N 2 1 334.464 1.606 20 0 EDADMP Cc1nc(C(C)C)oc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032182123 702183826 /nfs/dbraw/zinc/18/38/26/702183826.db2.gz FLLCYWIVCIEDIG-OAHLLOKOSA-N 2 1 334.464 1.606 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CCc3ccc(F)c(F)c3)C2)C1 ZINC001032182247 702190708 /nfs/dbraw/zinc/19/07/08/702190708.db2.gz ILGBGYDDGHQENM-HNNXBMFYSA-N 2 1 337.414 1.507 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1)C1CC1 ZINC000995890555 702231521 /nfs/dbraw/zinc/23/15/21/702231521.db2.gz BTFSBHSSZOHMJY-ZBFHGGJFSA-N 2 1 331.464 1.143 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001032186941 702288803 /nfs/dbraw/zinc/28/88/03/702288803.db2.gz ZPHHQRGWPYGIPX-KRWDZBQOSA-N 2 1 331.460 1.503 20 0 EDADMP CCc1ccc([C@@H](O)C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032185663 702303772 /nfs/dbraw/zinc/30/37/72/702303772.db2.gz AVSCXIKZYWMPRP-OALUTQOASA-N 2 1 345.487 1.282 20 0 EDADMP CCn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995986577 702348788 /nfs/dbraw/zinc/34/87/88/702348788.db2.gz YXIJPMFYIAXUQP-HZPDHXFCSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995986577 702348797 /nfs/dbraw/zinc/34/87/97/702348797.db2.gz YXIJPMFYIAXUQP-HZPDHXFCSA-N 2 1 348.495 1.109 20 0 EDADMP C[C@H]1C[N@@H+](CCOC2CCC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944169331 702411206 /nfs/dbraw/zinc/41/12/06/702411206.db2.gz OBLXAXYESIOFBY-RDJZCZTQSA-N 2 1 335.492 1.478 20 0 EDADMP C[C@H]1C[N@@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171650 702417637 /nfs/dbraw/zinc/41/76/37/702417637.db2.gz ZMGDOUKMCVMTGX-WMZOPIPTSA-N 2 1 349.519 1.726 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ncccc2C)C1 ZINC000995197482 702456173 /nfs/dbraw/zinc/45/61/73/702456173.db2.gz LYOJEKHOKBRDJO-DLBZAZTESA-N 2 1 341.459 1.970 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CC1CCC1 ZINC000996070464 702481279 /nfs/dbraw/zinc/48/12/79/702481279.db2.gz MHEHYCFXJCOJPO-RXCRORICSA-N 2 1 347.503 1.476 20 0 EDADMP Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032666136 706679646 /nfs/dbraw/zinc/67/96/46/706679646.db2.gz XJPGKMYUUWBVBT-ROUUACIJSA-N 2 1 342.487 1.907 20 0 EDADMP Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032666136 706679648 /nfs/dbraw/zinc/67/96/48/706679648.db2.gz XJPGKMYUUWBVBT-ROUUACIJSA-N 2 1 342.487 1.907 20 0 EDADMP C[C@H]([NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1)c1ncccn1 ZINC000999225598 706683708 /nfs/dbraw/zinc/68/37/08/706683708.db2.gz XGNNTLVQSJXSMQ-FHERZECASA-N 2 1 345.491 1.991 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC000996463414 702790753 /nfs/dbraw/zinc/79/07/53/702790753.db2.gz GKIXMURTGQIJMY-BBRMVZONSA-N 2 1 349.479 1.892 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC000996463414 702790755 /nfs/dbraw/zinc/79/07/55/702790755.db2.gz GKIXMURTGQIJMY-BBRMVZONSA-N 2 1 349.479 1.892 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(NCc2csnn2)CC1 ZINC000996464291 702791930 /nfs/dbraw/zinc/79/19/30/702791930.db2.gz MFEAHVBDLAKXKA-HNNXBMFYSA-N 2 1 337.493 1.492 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996464291 702791932 /nfs/dbraw/zinc/79/19/32/702791932.db2.gz MFEAHVBDLAKXKA-HNNXBMFYSA-N 2 1 337.493 1.492 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996464291 702791933 /nfs/dbraw/zinc/79/19/33/702791933.db2.gz MFEAHVBDLAKXKA-HNNXBMFYSA-N 2 1 337.493 1.492 20 0 EDADMP O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996503204 702825209 /nfs/dbraw/zinc/82/52/09/702825209.db2.gz YMPZABBJZUFQCW-AEFFLSMTSA-N 2 1 345.491 1.338 20 0 EDADMP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996500566 702839715 /nfs/dbraw/zinc/83/97/15/702839715.db2.gz GSYUNDIQUHTLPF-YJBOKZPZSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)oc1C ZINC000996518294 702853771 /nfs/dbraw/zinc/85/37/71/702853771.db2.gz JTEPZLZHZUYVHP-HOTGVXAUSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)oc1C ZINC000996518294 702853773 /nfs/dbraw/zinc/85/37/73/702853773.db2.gz JTEPZLZHZUYVHP-HOTGVXAUSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)ncn1 ZINC000996521312 702856685 /nfs/dbraw/zinc/85/66/85/702856685.db2.gz VGIFCUNSXHWWIF-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000996604094 702913822 /nfs/dbraw/zinc/91/38/22/702913822.db2.gz TYBQDEONXACRFT-CZUORRHYSA-N 2 1 334.464 1.712 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cc(C)ncn3)CC2)CC[N@H+]1C ZINC000996604934 702914542 /nfs/dbraw/zinc/91/45/42/702914542.db2.gz XKKPFAUAVOKRCT-ZWKOTPCHSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)s1 ZINC000996611670 702916936 /nfs/dbraw/zinc/91/69/36/702916936.db2.gz NMIFVBWKUICRTN-ZDUSSCGKSA-N 2 1 337.493 1.269 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(CO)cc1 ZINC001032312877 702959191 /nfs/dbraw/zinc/95/91/91/702959191.db2.gz AEXURDLMZZPSOZ-OKZBNKHCSA-N 2 1 329.444 1.058 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(CO)cc1 ZINC001032312877 702959192 /nfs/dbraw/zinc/95/91/92/702959192.db2.gz AEXURDLMZZPSOZ-OKZBNKHCSA-N 2 1 329.444 1.058 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(CO)cc1 ZINC001032312877 702959195 /nfs/dbraw/zinc/95/91/95/702959195.db2.gz AEXURDLMZZPSOZ-OKZBNKHCSA-N 2 1 329.444 1.058 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(CO)cc1 ZINC001032312877 702959197 /nfs/dbraw/zinc/95/91/97/702959197.db2.gz AEXURDLMZZPSOZ-OKZBNKHCSA-N 2 1 329.444 1.058 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)o1 ZINC000996666282 702968328 /nfs/dbraw/zinc/96/83/28/702968328.db2.gz QCXVDOSOQZXKEI-CYBMUJFWSA-N 2 1 349.479 1.758 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1)C1CCC1 ZINC000996673563 702968790 /nfs/dbraw/zinc/96/87/90/702968790.db2.gz VMHOWMDUPBHDSR-KRWDZBQOSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996674716 702969952 /nfs/dbraw/zinc/96/99/52/702969952.db2.gz WATMCVPRWKCUCS-DLBZAZTESA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@H](C(=O)N1CCC([NH2+]Cc2nc(CC3CC3)no2)CC1)[NH+](C)C ZINC000996710886 703005540 /nfs/dbraw/zinc/00/55/40/703005540.db2.gz GQTAXDQSJAAKOX-OAHLLOKOSA-N 2 1 349.479 1.443 20 0 EDADMP Cc1cncn1CC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nc2C)C[C@H]1C ZINC000942518341 703013107 /nfs/dbraw/zinc/01/31/07/703013107.db2.gz QNMHIDJDIGNDNR-DYVFJYSZSA-N 2 1 344.463 1.260 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nc2C)C[C@H]1C ZINC000942518341 703013111 /nfs/dbraw/zinc/01/31/11/703013111.db2.gz QNMHIDJDIGNDNR-DYVFJYSZSA-N 2 1 344.463 1.260 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000996723349 703018385 /nfs/dbraw/zinc/01/83/85/703018385.db2.gz LXJPYQMSRORUPP-IUODEOHRSA-N 2 1 335.452 1.504 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCc2cnn(C)c2)C1 ZINC001032026908 703046354 /nfs/dbraw/zinc/04/63/54/703046354.db2.gz KNRYVTKUBWOVJJ-SFHVURJKSA-N 2 1 347.507 1.274 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032043123 703215812 /nfs/dbraw/zinc/21/58/12/703215812.db2.gz VPAKPBNDRIWFMM-IAGOWNOFSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032043123 703215814 /nfs/dbraw/zinc/21/58/14/703215814.db2.gz VPAKPBNDRIWFMM-IAGOWNOFSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)no1 ZINC000996965246 703225605 /nfs/dbraw/zinc/22/56/05/703225605.db2.gz NTSOEFSPMVYBSK-IUODEOHRSA-N 2 1 337.468 1.606 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCc2ccnn2C)CC1 ZINC000996979186 703234469 /nfs/dbraw/zinc/23/44/69/703234469.db2.gz LXGVMERAXMPVRY-QAPCUYQASA-N 2 1 347.507 1.274 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000997007973 703265546 /nfs/dbraw/zinc/26/55/46/703265546.db2.gz KNKZAAMUKAHKJN-WFASDCNBSA-N 2 1 347.463 1.225 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000997007973 703265547 /nfs/dbraw/zinc/26/55/47/703265547.db2.gz KNKZAAMUKAHKJN-WFASDCNBSA-N 2 1 347.463 1.225 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)[nH]1 ZINC000997064020 703308809 /nfs/dbraw/zinc/30/88/09/703308809.db2.gz SGAKHUQFDWNAMQ-MRXNPFEDSA-N 2 1 348.495 1.457 20 0 EDADMP CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000997125888 703384455 /nfs/dbraw/zinc/38/44/55/703384455.db2.gz SDLDONUFBNPCBM-QAPCUYQASA-N 2 1 337.508 1.866 20 0 EDADMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1cccs1 ZINC001032405501 703428768 /nfs/dbraw/zinc/42/87/68/703428768.db2.gz GNIHEYHXWXSYQQ-BQFCYCMXSA-N 2 1 345.512 1.918 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)C1 ZINC000997185850 703475004 /nfs/dbraw/zinc/47/50/04/703475004.db2.gz SVJDXMRISBNFIA-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC000997187122 703476550 /nfs/dbraw/zinc/47/65/50/703476550.db2.gz WPVMOFZXELWBOP-QFBILLFUSA-N 2 1 345.487 1.642 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)c1nc(C2CC2)no1 ZINC000997296818 703555448 /nfs/dbraw/zinc/55/54/48/703555448.db2.gz CAYMPAJGYPWQLU-JSGCOSHPSA-N 2 1 347.463 1.540 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1nc(C2CC2)no1 ZINC000997296818 703555449 /nfs/dbraw/zinc/55/54/49/703555449.db2.gz CAYMPAJGYPWQLU-JSGCOSHPSA-N 2 1 347.463 1.540 20 0 EDADMP O=C(CC[NH+]1CCCCC1)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000997362839 703596634 /nfs/dbraw/zinc/59/66/34/703596634.db2.gz CSUYFWVRYIEZFL-UHFFFAOYSA-N 2 1 337.493 1.495 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)n1 ZINC000997367139 703601477 /nfs/dbraw/zinc/60/14/77/703601477.db2.gz VMIIRGGJNBFPAS-OAHLLOKOSA-N 2 1 349.479 1.587 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)n1 ZINC000997367139 703601479 /nfs/dbraw/zinc/60/14/79/703601479.db2.gz VMIIRGGJNBFPAS-OAHLLOKOSA-N 2 1 349.479 1.587 20 0 EDADMP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001032444446 703621508 /nfs/dbraw/zinc/62/15/08/703621508.db2.gz ZEMIYIVLQQISQB-YESZJQIVSA-N 2 1 339.455 1.275 20 0 EDADMP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001032444446 703621510 /nfs/dbraw/zinc/62/15/10/703621510.db2.gz ZEMIYIVLQQISQB-YESZJQIVSA-N 2 1 339.455 1.275 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCCF ZINC001032444446 703621511 /nfs/dbraw/zinc/62/15/11/703621511.db2.gz ZEMIYIVLQQISQB-YESZJQIVSA-N 2 1 339.455 1.275 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCCF ZINC001032444446 703621513 /nfs/dbraw/zinc/62/15/13/703621513.db2.gz ZEMIYIVLQQISQB-YESZJQIVSA-N 2 1 339.455 1.275 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccccc1)C1CCC1 ZINC001032448857 703624525 /nfs/dbraw/zinc/62/45/25/703624525.db2.gz XRXCALQZOFYYJY-OALUTQOASA-N 2 1 327.472 1.999 20 0 EDADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccccc1)C1CCC1 ZINC001032448857 703624526 /nfs/dbraw/zinc/62/45/26/703624526.db2.gz XRXCALQZOFYYJY-OALUTQOASA-N 2 1 327.472 1.999 20 0 EDADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccccc1)C1CCC1 ZINC001032448857 703624527 /nfs/dbraw/zinc/62/45/27/703624527.db2.gz XRXCALQZOFYYJY-OALUTQOASA-N 2 1 327.472 1.999 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@@H](C)NC(=O)C34CC[NH+](CC3)C4)CC2)co1 ZINC000997391567 703658428 /nfs/dbraw/zinc/65/84/28/703658428.db2.gz ZAUUUGAMKKXKMR-CQSZACIVSA-N 2 1 346.475 1.796 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCCC2)O1 ZINC001032473148 703687972 /nfs/dbraw/zinc/68/79/72/703687972.db2.gz DERKSCFLBWWTAC-XGXHKWSGSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCCC2)O1 ZINC001032473148 703687973 /nfs/dbraw/zinc/68/79/73/703687973.db2.gz DERKSCFLBWWTAC-XGXHKWSGSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCCC2)O1 ZINC001032473148 703687974 /nfs/dbraw/zinc/68/79/74/703687974.db2.gz DERKSCFLBWWTAC-XGXHKWSGSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCCC2)O1 ZINC001032473148 703687975 /nfs/dbraw/zinc/68/79/75/703687975.db2.gz DERKSCFLBWWTAC-XGXHKWSGSA-N 2 1 349.519 1.961 20 0 EDADMP CCC(CC)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997531668 703784362 /nfs/dbraw/zinc/78/43/62/703784362.db2.gz ULYVDNPPZHRRGG-YJBOKZPZSA-N 2 1 339.524 1.970 20 0 EDADMP CCC(CC)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997531668 703784363 /nfs/dbraw/zinc/78/43/63/703784363.db2.gz ULYVDNPPZHRRGG-YJBOKZPZSA-N 2 1 339.524 1.970 20 0 EDADMP CCn1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000997613729 703913444 /nfs/dbraw/zinc/91/34/44/703913444.db2.gz POQZUVMEHNJXCJ-KRWDZBQOSA-N 2 1 348.495 1.029 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000997615740 703914769 /nfs/dbraw/zinc/91/47/69/703914769.db2.gz WSYHMEBZHLMPCA-GOEBONIOSA-N 2 1 334.464 1.966 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC001004203643 703940571 /nfs/dbraw/zinc/94/05/71/703940571.db2.gz MFRYQCGXUNIEEG-GASCZTMLSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC001004203643 703940572 /nfs/dbraw/zinc/94/05/72/703940572.db2.gz MFRYQCGXUNIEEG-GASCZTMLSA-N 2 1 345.491 1.738 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC1 ZINC001032523698 703980604 /nfs/dbraw/zinc/98/06/04/703980604.db2.gz GVHLXRKVLQXRIX-HOTGVXAUSA-N 2 1 328.460 1.847 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC1 ZINC001032523698 703980608 /nfs/dbraw/zinc/98/06/08/703980608.db2.gz GVHLXRKVLQXRIX-HOTGVXAUSA-N 2 1 328.460 1.847 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cnon3)C2)C1 ZINC000999290608 706786173 /nfs/dbraw/zinc/78/61/73/706786173.db2.gz NABWAMFBLTZVEI-VQCLRJIVSA-N 2 1 335.452 1.271 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cnon3)C2)C1 ZINC000999290608 706786175 /nfs/dbraw/zinc/78/61/75/706786175.db2.gz NABWAMFBLTZVEI-VQCLRJIVSA-N 2 1 335.452 1.271 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033081473 704137035 /nfs/dbraw/zinc/13/70/35/704137035.db2.gz JUCJZAWXNILTEH-AEFFLSMTSA-N 2 1 337.508 1.556 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](CCCO)C1 ZINC001033081473 704137037 /nfs/dbraw/zinc/13/70/37/704137037.db2.gz JUCJZAWXNILTEH-AEFFLSMTSA-N 2 1 337.508 1.556 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](CCCO)C1 ZINC001033081473 704137040 /nfs/dbraw/zinc/13/70/40/704137040.db2.gz JUCJZAWXNILTEH-AEFFLSMTSA-N 2 1 337.508 1.556 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC001033082288 704138706 /nfs/dbraw/zinc/13/87/06/704138706.db2.gz PWAGDONWIZQPNS-ZWKOTPCHSA-N 2 1 343.475 1.160 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC001033082288 704138707 /nfs/dbraw/zinc/13/87/07/704138707.db2.gz PWAGDONWIZQPNS-ZWKOTPCHSA-N 2 1 343.475 1.160 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999303689 706797287 /nfs/dbraw/zinc/79/72/87/706797287.db2.gz IGOYQRUPGUVGEK-IRXDYDNUSA-N 2 1 333.480 1.375 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[NH+]2C1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946592502 704230407 /nfs/dbraw/zinc/23/04/07/704230407.db2.gz QPXOVYYJEXFCCK-XMTFNYHQSA-N 2 1 335.492 1.024 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946592502 704230408 /nfs/dbraw/zinc/23/04/08/704230408.db2.gz QPXOVYYJEXFCCK-XMTFNYHQSA-N 2 1 335.492 1.024 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946592502 704230410 /nfs/dbraw/zinc/23/04/10/704230410.db2.gz QPXOVYYJEXFCCK-XMTFNYHQSA-N 2 1 335.492 1.024 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CCCCO2)CC1 ZINC001032710979 706801666 /nfs/dbraw/zinc/80/16/66/706801666.db2.gz AXEBYWJIWRWPOX-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCCF)CC2)C1 ZINC001004379587 704355129 /nfs/dbraw/zinc/35/51/29/704355129.db2.gz JVGTUSMRQRZQKI-IRXDYDNUSA-N 2 1 341.471 1.380 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCCF)CC2)C1 ZINC001004379587 704355131 /nfs/dbraw/zinc/35/51/31/704355131.db2.gz JVGTUSMRQRZQKI-IRXDYDNUSA-N 2 1 341.471 1.380 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CCCF)CC2)C1 ZINC001004379587 704355134 /nfs/dbraw/zinc/35/51/34/704355134.db2.gz JVGTUSMRQRZQKI-IRXDYDNUSA-N 2 1 341.471 1.380 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CCCF)CC2)C1 ZINC001004379587 704355136 /nfs/dbraw/zinc/35/51/36/704355136.db2.gz JVGTUSMRQRZQKI-IRXDYDNUSA-N 2 1 341.471 1.380 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnc(C)o2)C1 ZINC000999308915 706810084 /nfs/dbraw/zinc/81/00/84/706810084.db2.gz SKJJNZQDASRMEX-NVXWUHKLSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)on1 ZINC000947936694 704674390 /nfs/dbraw/zinc/67/43/90/704674390.db2.gz XWMZYPFXVOFREV-GJZGRUSLSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)cn1 ZINC000997829696 704748346 /nfs/dbraw/zinc/74/83/46/704748346.db2.gz BOGVTRHQYIEOEE-UHFFFAOYSA-N 2 1 345.491 1.598 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3cccnc3)CC2)O1 ZINC000997854443 704766313 /nfs/dbraw/zinc/76/63/13/704766313.db2.gz DORLAQLOEJDUBP-CRAIPNDOSA-N 2 1 346.475 1.129 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3cccnc3)CC2)O1 ZINC000997854443 704766314 /nfs/dbraw/zinc/76/63/14/704766314.db2.gz DORLAQLOEJDUBP-CRAIPNDOSA-N 2 1 346.475 1.129 20 0 EDADMP C[C@H]1C[N@@H+](CC2CC(F)(F)C2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918952 704770222 /nfs/dbraw/zinc/77/02/22/704770222.db2.gz LQUPCFPCUXBDEO-ZFWWWQNUSA-N 2 1 329.435 1.954 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000997864399 704770965 /nfs/dbraw/zinc/77/09/65/704770965.db2.gz GYEROHLXNNDJKO-CJNGLKHVSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC000997864399 704770968 /nfs/dbraw/zinc/77/09/68/704770968.db2.gz GYEROHLXNNDJKO-CJNGLKHVSA-N 2 1 349.479 1.752 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)cn1 ZINC000944919655 704771803 /nfs/dbraw/zinc/77/18/03/704771803.db2.gz PKLLSPUHNYZKBH-SJLPKXTDSA-N 2 1 347.507 1.368 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997860899 704771812 /nfs/dbraw/zinc/77/18/12/704771812.db2.gz NWSSGLKLMQYCGM-HOCLYGCPSA-N 2 1 333.480 1.089 20 0 EDADMP CCn1ccnc1CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944965361 704836127 /nfs/dbraw/zinc/83/61/27/704836127.db2.gz RIFDGOZVUGBLST-GOEBONIOSA-N 2 1 344.463 1.435 20 0 EDADMP C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000945028227 704954749 /nfs/dbraw/zinc/95/47/49/704954749.db2.gz GCGQFMGRXDBTGW-MAUKXSAKSA-N 2 1 333.476 1.571 20 0 EDADMP CCOC1CC(C[NH2+]CC2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000997913552 704974468 /nfs/dbraw/zinc/97/44/68/704974468.db2.gz BENLBXFVJWOAFE-UHFFFAOYSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2cnccc2C)CC1 ZINC000997916394 704981706 /nfs/dbraw/zinc/98/17/06/704981706.db2.gz SJCJACNFMPYDCG-UHFFFAOYSA-N 2 1 341.459 1.923 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2cncn2C)CC1 ZINC000997948028 705069035 /nfs/dbraw/zinc/06/90/35/705069035.db2.gz GAXCQQPKCJGJNX-AEFFLSMTSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2cncn2C)CC1 ZINC000997948028 705069041 /nfs/dbraw/zinc/06/90/41/705069041.db2.gz GAXCQQPKCJGJNX-AEFFLSMTSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2cncn2C)CC1 ZINC000997948028 705069048 /nfs/dbraw/zinc/06/90/48/705069048.db2.gz GAXCQQPKCJGJNX-AEFFLSMTSA-N 2 1 347.507 1.717 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCCO1 ZINC001032592182 705189182 /nfs/dbraw/zinc/18/91/82/705189182.db2.gz KHVOMKFDIAQMER-ULQDDVLXSA-N 2 1 347.459 1.809 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCCO1 ZINC001032592182 705189184 /nfs/dbraw/zinc/18/91/84/705189184.db2.gz KHVOMKFDIAQMER-ULQDDVLXSA-N 2 1 347.459 1.809 20 0 EDADMP CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000998043332 705238351 /nfs/dbraw/zinc/23/83/51/705238351.db2.gz XXKDWOSZBABRFJ-BZUAXINKSA-N 2 1 334.464 1.863 20 0 EDADMP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998050587 705244883 /nfs/dbraw/zinc/24/48/83/705244883.db2.gz MFFXWAARUQCYBA-MRXNPFEDSA-N 2 1 330.432 1.643 20 0 EDADMP CCN(C(=O)c1cccc2nccn21)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998065988 705278495 /nfs/dbraw/zinc/27/84/95/705278495.db2.gz ZUUPBLBFKZSTJY-OAHLLOKOSA-N 2 1 330.432 1.643 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000998082082 705308307 /nfs/dbraw/zinc/30/83/07/705308307.db2.gz NNHQOZQBZLFGDJ-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998137833 705402932 /nfs/dbraw/zinc/40/29/32/705402932.db2.gz AMUFTEUFEMBYQF-LBPRGKRZSA-N 2 1 348.476 1.468 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1csnn1 ZINC000998267666 705638889 /nfs/dbraw/zinc/63/88/89/705638889.db2.gz YIUIZYOOKFGKKE-TZMCWYRMSA-N 2 1 337.493 1.379 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)s1 ZINC000998268005 705639474 /nfs/dbraw/zinc/63/94/74/705639474.db2.gz CCWDRTNSFBOPRM-UHFFFAOYSA-N 2 1 347.488 1.985 20 0 EDADMP Cc1ccc(NCCNC(=O)NCCN2CCC([NH+](C)C)CC2)[nH+]c1 ZINC000921667508 705968434 /nfs/dbraw/zinc/96/84/34/705968434.db2.gz HLJKTDWDYPAYBM-UHFFFAOYSA-N 2 1 348.495 1.127 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998549157 705985288 /nfs/dbraw/zinc/98/52/88/705985288.db2.gz KOORYAKPFHFHQS-DAWZGUTISA-N 2 1 347.507 1.946 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC000998718094 706149872 /nfs/dbraw/zinc/14/98/72/706149872.db2.gz BAZKTSFLFKCDRL-GJZGRUSLSA-N 2 1 336.867 1.910 20 0 EDADMP Cn1c(Cl)cnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998722035 706153905 /nfs/dbraw/zinc/15/39/05/706153905.db2.gz NSGBWTKHQYZYIT-QWHCGFSZSA-N 2 1 339.871 1.248 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(F)c3)C2)C1 ZINC000998829082 706259543 /nfs/dbraw/zinc/25/95/43/706259543.db2.gz UTXAGVRAWSIZPP-SJORKVTESA-N 2 1 335.423 1.237 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(F)c3)C2)C1 ZINC000998829082 706259546 /nfs/dbraw/zinc/25/95/46/706259546.db2.gz UTXAGVRAWSIZPP-SJORKVTESA-N 2 1 335.423 1.237 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC000998825133 706271975 /nfs/dbraw/zinc/27/19/75/706271975.db2.gz LXBXLSATNKLUEX-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC000998825133 706271979 /nfs/dbraw/zinc/27/19/79/706271979.db2.gz LXBXLSATNKLUEX-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)C1CC([NH2+]CC2CCOCC2)C1 ZINC000998899214 706326832 /nfs/dbraw/zinc/32/68/32/706326832.db2.gz CQDJGKMXTXZRSV-OFLPRAFFSA-N 2 1 346.475 1.766 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999032536 706469565 /nfs/dbraw/zinc/46/95/65/706469565.db2.gz GJBXVUYVVBYURU-JCYILVPMSA-N 2 1 347.507 1.620 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000999049513 706469896 /nfs/dbraw/zinc/46/98/96/706469896.db2.gz GFRDTXOJCRBSOC-UHFFFAOYSA-N 2 1 333.436 1.085 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000999142920 706555947 /nfs/dbraw/zinc/55/59/47/706555947.db2.gz DIGAKHJWXVCPJU-HIFRSBDPSA-N 2 1 337.493 1.492 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999142872 706556239 /nfs/dbraw/zinc/55/62/39/706556239.db2.gz COJOKDAUIKWMGC-JKSUJKDBSA-N 2 1 348.495 1.251 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999142872 706556242 /nfs/dbraw/zinc/55/62/42/706556242.db2.gz COJOKDAUIKWMGC-JKSUJKDBSA-N 2 1 348.495 1.251 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000999143417 706556724 /nfs/dbraw/zinc/55/67/24/706556724.db2.gz HFNBBKWSWFGIEB-DOTOQJQBSA-N 2 1 348.495 1.251 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000999143417 706556725 /nfs/dbraw/zinc/55/67/25/706556725.db2.gz HFNBBKWSWFGIEB-DOTOQJQBSA-N 2 1 348.495 1.251 20 0 EDADMP Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999364521 706878101 /nfs/dbraw/zinc/87/81/01/706878101.db2.gz NLVSUMGCLNVFTP-INIZCTEOSA-N 2 1 330.476 1.955 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999368063 706881799 /nfs/dbraw/zinc/88/17/99/706881799.db2.gz FLVIKNLBZCBIOO-CVEARBPZSA-N 2 1 342.447 1.238 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999369708 706883351 /nfs/dbraw/zinc/88/33/51/706883351.db2.gz KJQYJCXVVBOAAQ-DOTOQJQBSA-N 2 1 348.495 1.027 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000999403852 706912669 /nfs/dbraw/zinc/91/26/69/706912669.db2.gz XVGWGNLRUYPWPN-DLBZAZTESA-N 2 1 333.480 1.338 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)on1 ZINC000999405761 706914958 /nfs/dbraw/zinc/91/49/58/706914958.db2.gz HKFSDVUWEATKBG-IYXRBSQSSA-N 2 1 336.436 1.247 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000999681362 707166174 /nfs/dbraw/zinc/16/61/74/707166174.db2.gz FGKQFQDTMKXBAK-IGEOTXOUSA-N 2 1 334.439 1.642 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000999690287 707246161 /nfs/dbraw/zinc/24/61/61/707246161.db2.gz WKHMNUPVXLEQQE-BZOOQXSSSA-N 2 1 346.475 1.973 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000999690287 707246164 /nfs/dbraw/zinc/24/61/64/707246164.db2.gz WKHMNUPVXLEQQE-BZOOQXSSSA-N 2 1 346.475 1.973 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)nc2C)C1 ZINC000999711303 707306207 /nfs/dbraw/zinc/30/62/07/707306207.db2.gz DWYLAPVKTSWAIP-SFHVURJKSA-N 2 1 341.459 1.984 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000999838193 707409869 /nfs/dbraw/zinc/40/98/69/707409869.db2.gz UFMFDNGEUZGKDV-NFOMZHRRSA-N 2 1 336.867 1.766 20 0 EDADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033196593 707411231 /nfs/dbraw/zinc/41/12/31/707411231.db2.gz DETCYCCDMNTWAA-GOEBONIOSA-N 2 1 336.505 1.703 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CCc2ccns2)C1 ZINC001033196593 707411235 /nfs/dbraw/zinc/41/12/35/707411235.db2.gz DETCYCCDMNTWAA-GOEBONIOSA-N 2 1 336.505 1.703 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CCc2ccns2)C1 ZINC001033196593 707411237 /nfs/dbraw/zinc/41/12/37/707411237.db2.gz DETCYCCDMNTWAA-GOEBONIOSA-N 2 1 336.505 1.703 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297699 707412682 /nfs/dbraw/zinc/41/26/82/707412682.db2.gz RGXHAUYYCRRIEN-FUHWJXTLSA-N 2 1 347.503 1.972 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc3nonc3c2)C1 ZINC000999828930 707457675 /nfs/dbraw/zinc/45/76/75/707457675.db2.gz HGZDITCBWAENES-WLYUNCDWSA-N 2 1 343.431 1.254 20 0 EDADMP COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999836297 707471769 /nfs/dbraw/zinc/47/17/69/707471769.db2.gz JGVYMVUOOIXOPU-IUDNXUCKSA-N 2 1 332.448 1.121 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cccnc3C)C2)C1 ZINC000999861482 707498192 /nfs/dbraw/zinc/49/81/92/707498192.db2.gz JHRAVIWWAWKJGP-DAWZGUTISA-N 2 1 346.475 1.190 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cccnc3C)C2)C1 ZINC000999861482 707498194 /nfs/dbraw/zinc/49/81/94/707498194.db2.gz JHRAVIWWAWKJGP-DAWZGUTISA-N 2 1 346.475 1.190 20 0 EDADMP C[C@@H]([NH2+]Cc1nccn1C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004869199 707518652 /nfs/dbraw/zinc/51/86/52/707518652.db2.gz PHIUHSRNFOYACK-WBVHZDCISA-N 2 1 347.507 1.764 20 0 EDADMP C[C@@H](NCc1ncccn1)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004882050 707530121 /nfs/dbraw/zinc/53/01/21/707530121.db2.gz ZHHLXAHEPSAIIY-NVXWUHKLSA-N 2 1 345.491 1.820 20 0 EDADMP C[C@@H]([NH2+]Cc1ncccn1)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004882050 707530125 /nfs/dbraw/zinc/53/01/25/707530125.db2.gz ZHHLXAHEPSAIIY-NVXWUHKLSA-N 2 1 345.491 1.820 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033364410 707656952 /nfs/dbraw/zinc/65/69/52/707656952.db2.gz FGGYRUFOMRZMDO-MSOLQXFVSA-N 2 1 337.508 1.699 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033364410 707656954 /nfs/dbraw/zinc/65/69/54/707656954.db2.gz FGGYRUFOMRZMDO-MSOLQXFVSA-N 2 1 337.508 1.699 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033364410 707656957 /nfs/dbraw/zinc/65/69/57/707656957.db2.gz FGGYRUFOMRZMDO-MSOLQXFVSA-N 2 1 337.508 1.699 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001033365590 707660230 /nfs/dbraw/zinc/66/02/30/707660230.db2.gz IDVQSDKZWUQLBI-WBVHZDCISA-N 2 1 349.475 1.914 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001033365590 707660233 /nfs/dbraw/zinc/66/02/33/707660233.db2.gz IDVQSDKZWUQLBI-WBVHZDCISA-N 2 1 349.475 1.914 20 0 EDADMP Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)o1 ZINC001004927134 707668938 /nfs/dbraw/zinc/66/89/38/707668938.db2.gz NEFSWAGFNZAIPI-BBRMVZONSA-N 2 1 349.479 1.579 20 0 EDADMP CN(C)C(=O)c1cccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000921690475 707720465 /nfs/dbraw/zinc/72/04/65/707720465.db2.gz MYJCDIPPGYQEMN-UHFFFAOYSA-N 2 1 332.492 1.506 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033217757 707744476 /nfs/dbraw/zinc/74/44/76/707744476.db2.gz NAPBEONZMDAJJM-ZWKOTPCHSA-N 2 1 347.507 1.573 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033217757 707744480 /nfs/dbraw/zinc/74/44/80/707744480.db2.gz NAPBEONZMDAJJM-ZWKOTPCHSA-N 2 1 347.507 1.573 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033217757 707744485 /nfs/dbraw/zinc/74/44/85/707744485.db2.gz NAPBEONZMDAJJM-ZWKOTPCHSA-N 2 1 347.507 1.573 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033217757 707744490 /nfs/dbraw/zinc/74/44/90/707744490.db2.gz NAPBEONZMDAJJM-ZWKOTPCHSA-N 2 1 347.507 1.573 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033390181 707761977 /nfs/dbraw/zinc/76/19/77/707761977.db2.gz INXPVBVYHQLMPQ-INIZCTEOSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033390181 707761981 /nfs/dbraw/zinc/76/19/81/707761981.db2.gz INXPVBVYHQLMPQ-INIZCTEOSA-N 2 1 334.464 1.612 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033415897 707793447 /nfs/dbraw/zinc/79/34/47/707793447.db2.gz MGHZMDMZBZZEAU-IAGOWNOFSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cccnc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415897 707793449 /nfs/dbraw/zinc/79/34/49/707793449.db2.gz MGHZMDMZBZZEAU-IAGOWNOFSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415897 707793451 /nfs/dbraw/zinc/79/34/51/707793451.db2.gz MGHZMDMZBZZEAU-IAGOWNOFSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001004990320 707851529 /nfs/dbraw/zinc/85/15/29/707851529.db2.gz HUVMTQHTFUKCGM-HOTGVXAUSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001061607167 707873169 /nfs/dbraw/zinc/87/31/69/707873169.db2.gz DIMRJLOAKWQXKC-SJORKVTESA-N 2 1 345.491 1.910 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001061607167 707873171 /nfs/dbraw/zinc/87/31/71/707873171.db2.gz DIMRJLOAKWQXKC-SJORKVTESA-N 2 1 345.491 1.910 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001004992308 707873283 /nfs/dbraw/zinc/87/32/83/707873283.db2.gz NXVKGAHCVKCVMA-RHSMWYFYSA-N 2 1 344.463 1.484 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001033475709 707965847 /nfs/dbraw/zinc/96/58/47/707965847.db2.gz QOQUWAUUKNBINJ-INIZCTEOSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001033475709 707965850 /nfs/dbraw/zinc/96/58/50/707965850.db2.gz QOQUWAUUKNBINJ-INIZCTEOSA-N 2 1 334.464 1.748 20 0 EDADMP CCc1cnc(CN2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001005177737 708119030 /nfs/dbraw/zinc/11/90/30/708119030.db2.gz DGQDALXYIGZSGB-INIZCTEOSA-N 2 1 334.464 1.754 20 0 EDADMP Cc1cncc(C[N@@H+]2CC=C(CNC(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC001001375294 708140283 /nfs/dbraw/zinc/14/02/83/708140283.db2.gz FZJROZRCJJSIAL-UHFFFAOYSA-N 2 1 340.471 1.734 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033531170 708154416 /nfs/dbraw/zinc/15/44/16/708154416.db2.gz KSSYCSUZXFEYBA-INIZCTEOSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033531170 708154418 /nfs/dbraw/zinc/15/44/18/708154418.db2.gz KSSYCSUZXFEYBA-INIZCTEOSA-N 2 1 334.464 1.748 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033546855 708176033 /nfs/dbraw/zinc/17/60/33/708176033.db2.gz GZLMRBIMTALYNS-RDJZCZTQSA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921843487 708196345 /nfs/dbraw/zinc/19/63/45/708196345.db2.gz YXJHULUGCTVNGQ-UHFFFAOYSA-N 2 1 331.258 1.497 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001775131 708268310 /nfs/dbraw/zinc/26/83/10/708268310.db2.gz ZAQOJQICWDWJGJ-WMLDXEAASA-N 2 1 348.491 1.617 20 0 EDADMP Cc1ncoc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001824082 708326100 /nfs/dbraw/zinc/32/61/00/708326100.db2.gz BGPGLCHOXPGBMG-BBRMVZONSA-N 2 1 334.464 1.509 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC001033654377 708422081 /nfs/dbraw/zinc/42/20/81/708422081.db2.gz ATANYXACTYKGKH-MSOLQXFVSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC001033654377 708422084 /nfs/dbraw/zinc/42/20/84/708422084.db2.gz ATANYXACTYKGKH-MSOLQXFVSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC001033654377 708422086 /nfs/dbraw/zinc/42/20/86/708422086.db2.gz ATANYXACTYKGKH-MSOLQXFVSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC001033661883 708475816 /nfs/dbraw/zinc/47/58/16/708475816.db2.gz NAADUVUZSMWNLZ-IRXDYDNUSA-N 2 1 333.451 1.853 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCc2ccccc2F)C1 ZINC001033661883 708475819 /nfs/dbraw/zinc/47/58/19/708475819.db2.gz NAADUVUZSMWNLZ-IRXDYDNUSA-N 2 1 333.451 1.853 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCc2ccccc2F)C1 ZINC001033661883 708475821 /nfs/dbraw/zinc/47/58/21/708475821.db2.gz NAADUVUZSMWNLZ-IRXDYDNUSA-N 2 1 333.451 1.853 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033686955 708502517 /nfs/dbraw/zinc/50/25/17/708502517.db2.gz VHEZJJUJRQGAKQ-WMZOPIPTSA-N 2 1 337.508 1.963 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033686955 708502518 /nfs/dbraw/zinc/50/25/18/708502518.db2.gz VHEZJJUJRQGAKQ-WMZOPIPTSA-N 2 1 337.508 1.963 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033686955 708502520 /nfs/dbraw/zinc/50/25/20/708502520.db2.gz VHEZJJUJRQGAKQ-WMZOPIPTSA-N 2 1 337.508 1.963 20 0 EDADMP CCOC1CC(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001002125835 708640744 /nfs/dbraw/zinc/64/07/44/708640744.db2.gz KQGNXZIWTNZONL-ADKAHSJRSA-N 2 1 337.508 1.581 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2nccn2C)CC1 ZINC001002157865 708672477 /nfs/dbraw/zinc/67/24/77/708672477.db2.gz MGPFCNMUPYORSO-QGZVFWFLSA-N 2 1 347.507 1.623 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2nccn2C)CC1 ZINC001002157865 708672478 /nfs/dbraw/zinc/67/24/78/708672478.db2.gz MGPFCNMUPYORSO-QGZVFWFLSA-N 2 1 347.507 1.623 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](CCO)CC1 ZINC001005391787 708865432 /nfs/dbraw/zinc/86/54/32/708865432.db2.gz UTZHRXDZMOQJJT-INIZCTEOSA-N 2 1 337.508 1.556 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001033855276 708917567 /nfs/dbraw/zinc/91/75/67/708917567.db2.gz IYUJPLILGZPECK-IRXDYDNUSA-N 2 1 325.497 1.534 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)[C@H]1CC[NH+](CCOC)C1 ZINC001033855276 708917571 /nfs/dbraw/zinc/91/75/71/708917571.db2.gz IYUJPLILGZPECK-IRXDYDNUSA-N 2 1 325.497 1.534 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)[C@H]1CC[NH+](CCOC)C1 ZINC001033855276 708917573 /nfs/dbraw/zinc/91/75/73/708917573.db2.gz IYUJPLILGZPECK-IRXDYDNUSA-N 2 1 325.497 1.534 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](C[C@H](C)OC)CC2)CC[N@H+]1C ZINC001005416768 708948046 /nfs/dbraw/zinc/94/80/46/708948046.db2.gz YZBWNVSUMJDCRS-BHYGNILZSA-N 2 1 325.497 1.674 20 0 EDADMP CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033907989 709040845 /nfs/dbraw/zinc/04/08/45/709040845.db2.gz WSHUOANWTKILQR-DHADLLTHSA-N 2 1 335.492 1.573 20 0 EDADMP CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033907989 709040848 /nfs/dbraw/zinc/04/08/48/709040848.db2.gz WSHUOANWTKILQR-DHADLLTHSA-N 2 1 335.492 1.573 20 0 EDADMP CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033907989 709040851 /nfs/dbraw/zinc/04/08/51/709040851.db2.gz WSHUOANWTKILQR-DHADLLTHSA-N 2 1 335.492 1.573 20 0 EDADMP Cc1ccccc1[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002523544 709078180 /nfs/dbraw/zinc/07/81/80/709078180.db2.gz ONISCDFGFLNPBF-VQIMIIECSA-N 2 1 345.487 1.967 20 0 EDADMP Cc1ccccc1[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002523544 709078182 /nfs/dbraw/zinc/07/81/82/709078182.db2.gz ONISCDFGFLNPBF-VQIMIIECSA-N 2 1 345.487 1.967 20 0 EDADMP Cc1cccc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC001002532107 709089798 /nfs/dbraw/zinc/08/97/98/709089798.db2.gz GSFHRUJKIKATCF-QFBILLFUSA-N 2 1 345.487 1.967 20 0 EDADMP Cc1cccc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC001002532107 709089800 /nfs/dbraw/zinc/08/98/00/709089800.db2.gz GSFHRUJKIKATCF-QFBILLFUSA-N 2 1 345.487 1.967 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001002790865 709398604 /nfs/dbraw/zinc/39/86/04/709398604.db2.gz BDMXKADSSZULNK-AEFFLSMTSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1oncc1C[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002811706 709417728 /nfs/dbraw/zinc/41/77/28/709417728.db2.gz QQUFCTIYIJAZBH-MAUKXSAKSA-N 2 1 346.475 1.938 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CC[C@H]3CCCCO3)C2)CC[N@H+]1C ZINC001032830162 709465754 /nfs/dbraw/zinc/46/57/54/709465754.db2.gz MBHDOMHXVJNTCB-XLAORIBOSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC[C@H]3CCCCO3)C2)CC[NH+]1C ZINC001032830162 709465755 /nfs/dbraw/zinc/46/57/55/709465755.db2.gz MBHDOMHXVJNTCB-XLAORIBOSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC[C@H]3CCCCO3)C2)CC[NH+]1C ZINC001032830162 709465756 /nfs/dbraw/zinc/46/57/56/709465756.db2.gz MBHDOMHXVJNTCB-XLAORIBOSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1oncc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034209749 709559472 /nfs/dbraw/zinc/55/94/72/709559472.db2.gz DGRYAKYPWYHALN-MSOLQXFVSA-N 2 1 346.475 1.796 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCn3cccn3)C2)CC[N@H+]1C ZINC001034217811 709574089 /nfs/dbraw/zinc/57/40/89/709574089.db2.gz VJKVECOGBYYGQB-FGTMMUONSA-N 2 1 347.507 1.584 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCn3cccn3)C2)CC[NH+]1C ZINC001034217811 709574091 /nfs/dbraw/zinc/57/40/91/709574091.db2.gz VJKVECOGBYYGQB-FGTMMUONSA-N 2 1 347.507 1.584 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCn3cccn3)C2)CC[NH+]1C ZINC001034217811 709574093 /nfs/dbraw/zinc/57/40/93/709574093.db2.gz VJKVECOGBYYGQB-FGTMMUONSA-N 2 1 347.507 1.584 20 0 EDADMP COC[C@@H](C)[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034257525 709642242 /nfs/dbraw/zinc/64/22/42/709642242.db2.gz KIARMJLJOOGJJI-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC001002955371 709657007 /nfs/dbraw/zinc/65/70/07/709657007.db2.gz LMQYXVPLDJAMSR-GOSISDBHSA-N 2 1 347.507 1.684 20 0 EDADMP Cc1c(C(=O)N[C@@H]2CCCC[N@@H+]([C@H](C)C(N)=O)C2)ccc2c[nH+]cn21 ZINC001034284573 709686478 /nfs/dbraw/zinc/68/64/78/709686478.db2.gz MBCXIPNJMVGHNF-ZIAGYGMSSA-N 2 1 343.431 1.101 20 0 EDADMP Cc1c(C(=O)N[C@@H]2CCCC[N@H+]([C@H](C)C(N)=O)C2)ccc2c[nH+]cn21 ZINC001034284573 709686479 /nfs/dbraw/zinc/68/64/79/709686479.db2.gz MBCXIPNJMVGHNF-ZIAGYGMSSA-N 2 1 343.431 1.101 20 0 EDADMP CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310313 709753837 /nfs/dbraw/zinc/75/38/37/709753837.db2.gz WGLHSWMIVXIODS-ZBFHGGJFSA-N 2 1 343.431 1.183 20 0 EDADMP CC[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310313 709753841 /nfs/dbraw/zinc/75/38/41/709753841.db2.gz WGLHSWMIVXIODS-ZBFHGGJFSA-N 2 1 343.431 1.183 20 0 EDADMP COC[C@H](C)[N@H+]1CCCC[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC001034364489 709884092 /nfs/dbraw/zinc/88/40/92/709884092.db2.gz KPTVAOMMZXZCQN-HOCLYGCPSA-N 2 1 337.464 1.960 20 0 EDADMP COC[C@H](C)[N@@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364489 709884094 /nfs/dbraw/zinc/88/40/94/709884094.db2.gz KPTVAOMMZXZCQN-HOCLYGCPSA-N 2 1 337.464 1.960 20 0 EDADMP CO[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400022 709943477 /nfs/dbraw/zinc/94/34/77/709943477.db2.gz WSHSBIHKPRRHBQ-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP CO[C@H](C)C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034400022 709943481 /nfs/dbraw/zinc/94/34/81/709943481.db2.gz WSHSBIHKPRRHBQ-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP CO[C@H](C)C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034400022 709943485 /nfs/dbraw/zinc/94/34/85/709943485.db2.gz WSHSBIHKPRRHBQ-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034404120 709951523 /nfs/dbraw/zinc/95/15/23/709951523.db2.gz GMBZYFAXKIZUAP-QFBILLFUSA-N 2 1 347.503 1.756 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](CCOC2CCC2)C1)C12CC[NH+](CC1)C2 ZINC001034490747 710110205 /nfs/dbraw/zinc/11/02/05/710110205.db2.gz MEOYXWQWGJOCLP-INIZCTEOSA-N 2 1 335.492 1.622 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001034491324 710111162 /nfs/dbraw/zinc/11/11/62/710111162.db2.gz SPMAQFMTTXBNSE-SJORKVTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001034491324 710111163 /nfs/dbraw/zinc/11/11/63/710111163.db2.gz SPMAQFMTTXBNSE-SJORKVTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)ncn1 ZINC001034491324 710111165 /nfs/dbraw/zinc/11/11/65/710111165.db2.gz SPMAQFMTTXBNSE-SJORKVTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)ncn1 ZINC001034491324 710111167 /nfs/dbraw/zinc/11/11/67/710111167.db2.gz SPMAQFMTTXBNSE-SJORKVTESA-N 2 1 345.491 1.598 20 0 EDADMP Cn1cncc1C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034486960 710133811 /nfs/dbraw/zinc/13/38/11/710133811.db2.gz DBOIWJJFKBUTPC-JKSUJKDBSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1cncc1C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034486960 710133816 /nfs/dbraw/zinc/13/38/16/710133816.db2.gz DBOIWJJFKBUTPC-JKSUJKDBSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1cncc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034486960 710133819 /nfs/dbraw/zinc/13/38/19/710133819.db2.gz DBOIWJJFKBUTPC-JKSUJKDBSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1cncc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034486960 710133822 /nfs/dbraw/zinc/13/38/22/710133822.db2.gz DBOIWJJFKBUTPC-JKSUJKDBSA-N 2 1 333.480 1.233 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(CO)cc3)C2)C1 ZINC001034523981 710172761 /nfs/dbraw/zinc/17/27/61/710172761.db2.gz DASKINRKVOPROP-RBUKOAKNSA-N 2 1 345.487 1.601 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccc(CO)cc3)C2)C1 ZINC001034523981 710172765 /nfs/dbraw/zinc/17/27/65/710172765.db2.gz DASKINRKVOPROP-RBUKOAKNSA-N 2 1 345.487 1.601 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccc(CO)cc3)C2)C1 ZINC001034523981 710172768 /nfs/dbraw/zinc/17/27/68/710172768.db2.gz DASKINRKVOPROP-RBUKOAKNSA-N 2 1 345.487 1.601 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525458 710175427 /nfs/dbraw/zinc/17/54/27/710175427.db2.gz NCKHOQKBWHXXGU-QZTJIDSGSA-N 2 1 347.507 1.422 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034525458 710175431 /nfs/dbraw/zinc/17/54/31/710175431.db2.gz NCKHOQKBWHXXGU-QZTJIDSGSA-N 2 1 347.507 1.422 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034525458 710175434 /nfs/dbraw/zinc/17/54/34/710175434.db2.gz NCKHOQKBWHXXGU-QZTJIDSGSA-N 2 1 347.507 1.422 20 0 EDADMP CC(C)(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003334532 710258486 /nfs/dbraw/zinc/25/84/86/710258486.db2.gz WOSVUQOWXDIKKN-RYZJOYRSSA-N 2 1 349.519 1.866 20 0 EDADMP Cc1cnc([C@H](C)N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC001032839625 710282219 /nfs/dbraw/zinc/28/22/19/710282219.db2.gz JILWITDPBFVCSW-UXLLHSPISA-N 2 1 331.464 1.521 20 0 EDADMP Cc1cnc([C@H](C)N2CC[C@@H](NC(=O)[C@@H]3CCCCN3C)C2)cn1 ZINC001032839625 710282223 /nfs/dbraw/zinc/28/22/23/710282223.db2.gz JILWITDPBFVCSW-UXLLHSPISA-N 2 1 331.464 1.521 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001034612174 710286936 /nfs/dbraw/zinc/28/69/36/710286936.db2.gz PXFJHPKRNLLXAT-MGPQQGTHSA-N 2 1 335.452 1.243 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001034612174 710286939 /nfs/dbraw/zinc/28/69/39/710286939.db2.gz PXFJHPKRNLLXAT-MGPQQGTHSA-N 2 1 335.452 1.243 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)n2)CC1 ZINC001034642257 710317735 /nfs/dbraw/zinc/31/77/35/710317735.db2.gz DSRVLINGQKDEMM-ZOBUZTSGSA-N 2 1 348.495 1.205 20 0 EDADMP Cc1cc(N(C)[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nc(C)[nH+]1 ZINC001061266007 710362269 /nfs/dbraw/zinc/36/22/69/710362269.db2.gz LCEDQBOQAUMMIJ-WMLDXEAASA-N 2 1 345.491 1.862 20 0 EDADMP Cc1cc(N(C)[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc(C)[nH+]1 ZINC001061266007 710362271 /nfs/dbraw/zinc/36/22/71/710362271.db2.gz LCEDQBOQAUMMIJ-WMLDXEAASA-N 2 1 345.491 1.862 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001003494180 710373541 /nfs/dbraw/zinc/37/35/41/710373541.db2.gz CVKBYURUOUGHGX-HOCLYGCPSA-N 2 1 333.480 1.231 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032842944 710402327 /nfs/dbraw/zinc/40/23/27/710402327.db2.gz CCGTVVHOGKDQTC-KBAYOESNSA-N 2 1 331.460 1.252 20 0 EDADMP CCc1noc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003636600 710456935 /nfs/dbraw/zinc/45/69/35/710456935.db2.gz WQDXMINNGYSSOY-XJKSGUPXSA-N 2 1 348.491 1.824 20 0 EDADMP CC[C@H](C[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1)OC ZINC001003629549 710459319 /nfs/dbraw/zinc/45/93/19/710459319.db2.gz CBRBXMFULKUBQO-MAUKXSAKSA-N 2 1 348.491 1.760 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCC2CCOCC2)CC1 ZINC001003636860 710461337 /nfs/dbraw/zinc/46/13/37/710461337.db2.gz XPCZQQJGYRQNIR-MAUKXSAKSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003633764 710461747 /nfs/dbraw/zinc/46/17/47/710461747.db2.gz HRQRJXUXTBPABT-DYVFJYSZSA-N 2 1 333.480 1.007 20 0 EDADMP Cc1ncsc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003635642 710462781 /nfs/dbraw/zinc/46/27/81/710462781.db2.gz QAUJJBYVRUGBMN-IUODEOHRSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC001003635369 710462797 /nfs/dbraw/zinc/46/27/97/710462797.db2.gz PDIUAGMJFOHHJZ-MLGOLLRUSA-N 2 1 334.464 1.570 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003667316 710479911 /nfs/dbraw/zinc/47/99/11/710479911.db2.gz KVDUFVSZGFXYFI-MOPGFXCFSA-N 2 1 345.487 1.559 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC001034675016 710626425 /nfs/dbraw/zinc/62/64/25/710626425.db2.gz YGPMSGSNVPXRBG-KKUMJFAQSA-N 2 1 335.452 1.379 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001034675016 710626428 /nfs/dbraw/zinc/62/64/28/710626428.db2.gz YGPMSGSNVPXRBG-KKUMJFAQSA-N 2 1 335.452 1.379 20 0 EDADMP CC1CC[NH+](CC(=O)NC2CC[NH+](Cc3cncs3)CC2)CC1 ZINC001003842416 710678708 /nfs/dbraw/zinc/67/87/08/710678708.db2.gz XWZHZQIKEQMWPM-UHFFFAOYSA-N 2 1 336.505 1.956 20 0 EDADMP COCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005639817 710797195 /nfs/dbraw/zinc/79/71/95/710797195.db2.gz JAPDNZMREFNRKL-QGZVFWFLSA-N 2 1 325.497 1.676 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)nn1 ZINC001034734084 710915089 /nfs/dbraw/zinc/91/50/89/710915089.db2.gz JYIIQWCVGJSDSB-JYJNAYRXSA-N 2 1 348.495 1.157 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnon3)CC2)C1 ZINC001034734899 710917853 /nfs/dbraw/zinc/91/78/53/710917853.db2.gz BVFWXENFPSBIRX-HDJSIYSDSA-N 2 1 335.452 1.319 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC001034737192 710949244 /nfs/dbraw/zinc/94/92/44/710949244.db2.gz HGCHUMDVQGNDMI-VDHUWJSZSA-N 2 1 330.476 1.796 20 0 EDADMP Cc1cncc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001003965983 711099841 /nfs/dbraw/zinc/09/98/41/711099841.db2.gz AAMVORAEFVKZAE-INIZCTEOSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC001034794418 711111015 /nfs/dbraw/zinc/11/10/15/711111015.db2.gz GZFCPUAPUQGLCW-DWRORGKVSA-N 2 1 346.475 1.635 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)o1 ZINC001034794952 711112238 /nfs/dbraw/zinc/11/22/38/711112238.db2.gz QYEJNEKIMKERFG-HDJSIYSDSA-N 2 1 335.452 1.245 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncn2C)CC1 ZINC001034796241 711116168 /nfs/dbraw/zinc/11/61/68/711116168.db2.gz GOANCVHLBCJKPF-BZUAXINKSA-N 2 1 348.495 1.207 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001034792455 711119187 /nfs/dbraw/zinc/11/91/87/711119187.db2.gz JRKQWUPOKGIRSP-QBPKDAKJSA-N 2 1 337.508 1.770 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3cc(C4CC4)no3)CC2)C1 ZINC001003976861 711147372 /nfs/dbraw/zinc/14/73/72/711147372.db2.gz SJBXJTUAIQXHBE-AWEZNQCLSA-N 2 1 346.475 1.974 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3cc(C4CC4)no3)CC2)C1 ZINC001003976861 711147376 /nfs/dbraw/zinc/14/73/76/711147376.db2.gz SJBXJTUAIQXHBE-AWEZNQCLSA-N 2 1 346.475 1.974 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001003977766 711150838 /nfs/dbraw/zinc/15/08/38/711150838.db2.gz XDOZIJMLACOARK-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740786 711274744 /nfs/dbraw/zinc/27/47/44/711274744.db2.gz JBUQPEUSQCGWSF-XDAPHXNSSA-N 2 1 349.519 1.819 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)ncn1 ZINC001034954687 711420916 /nfs/dbraw/zinc/42/09/16/711420916.db2.gz TWCOUFISNZYUFY-QZTJIDSGSA-N 2 1 345.491 1.740 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)nc1C(F)F)C2 ZINC000922387806 711428574 /nfs/dbraw/zinc/42/85/74/711428574.db2.gz BAVGCSGFPHEBAJ-SMKXDYDZSA-N 2 1 342.434 1.927 20 0 EDADMP Cc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)n1 ZINC001034957792 711429639 /nfs/dbraw/zinc/42/96/39/711429639.db2.gz JRKNIKCXZOXLAA-MRXNPFEDSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)n1 ZINC001034957792 711429641 /nfs/dbraw/zinc/42/96/41/711429641.db2.gz JRKNIKCXZOXLAA-MRXNPFEDSA-N 2 1 331.464 1.350 20 0 EDADMP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001034939889 711442774 /nfs/dbraw/zinc/44/27/74/711442774.db2.gz PZGNNCUDCSAHAW-RBSFLKMASA-N 2 1 348.495 1.349 20 0 EDADMP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001034939889 711442775 /nfs/dbraw/zinc/44/27/75/711442775.db2.gz PZGNNCUDCSAHAW-RBSFLKMASA-N 2 1 348.495 1.349 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccnc2)CC[N@H+]1C ZINC001034940915 711445013 /nfs/dbraw/zinc/44/50/13/711445013.db2.gz HDLWGRDXGVIISY-FGTMMUONSA-N 2 1 330.476 1.893 20 0 EDADMP CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]cn3)CC[C@@H]2C1 ZINC000946617293 711869439 /nfs/dbraw/zinc/86/94/39/711869439.db2.gz AOXCBYKPDVOAQD-OAGGEKHMSA-N 2 1 334.464 1.548 20 0 EDADMP CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)CC[C@@H]2C1 ZINC000946617293 711869440 /nfs/dbraw/zinc/86/94/40/711869440.db2.gz AOXCBYKPDVOAQD-OAGGEKHMSA-N 2 1 334.464 1.548 20 0 EDADMP CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)CC[C@@H]2C1 ZINC000946617293 711869441 /nfs/dbraw/zinc/86/94/41/711869441.db2.gz AOXCBYKPDVOAQD-OAGGEKHMSA-N 2 1 334.464 1.548 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cnon3)C[C@H]2CC1)C1CC1 ZINC000946623761 711925032 /nfs/dbraw/zinc/92/50/32/711925032.db2.gz PSMDPLDBPLPHLG-HLLBOEOZSA-N 2 1 347.463 1.080 20 0 EDADMP C[C@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004599116 712043228 /nfs/dbraw/zinc/04/32/28/712043228.db2.gz CJNABMKVCTYMBY-DOTOQJQBSA-N 2 1 335.492 1.166 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ocnc3C)C[C@H]2CC1)[NH+](C)C ZINC000946642239 712126169 /nfs/dbraw/zinc/12/61/69/712126169.db2.gz AVDVDLOZTDFWOG-IXDOHACOSA-N 2 1 348.491 1.994 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nonc3C)C[C@H]2CC1)[NH+](C)C ZINC000946642929 712129000 /nfs/dbraw/zinc/12/90/00/712129000.db2.gz WEITZCHWNOQYNL-HLLBOEOZSA-N 2 1 349.479 1.389 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946677959 712369886 /nfs/dbraw/zinc/36/98/86/712369886.db2.gz RVKJSYHMOYTGNJ-IYBDPMFKSA-N 2 1 342.443 1.501 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC[N@H+]1CCOC ZINC000168062793 529374861 /nfs/dbraw/zinc/37/48/61/529374861.db2.gz ZCZOPBOYVAPIEJ-ZACQAIPSSA-N 2 1 325.497 1.853 20 0 EDADMP C[C@@H]1CC(CC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H](C)O1 ZINC000558791456 306246987 /nfs/dbraw/zinc/24/69/87/306246987.db2.gz UEDUOOWSEHXJCA-HZPDHXFCSA-N 2 1 347.507 1.912 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[NH2+]Cc2cncnc2)cc[nH+]1 ZINC000354935204 282324398 /nfs/dbraw/zinc/32/43/98/282324398.db2.gz PARKJMFVWDVAPS-UONOGXRCSA-N 2 1 331.399 1.039 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000131996661 530034585 /nfs/dbraw/zinc/03/45/85/530034585.db2.gz RAVSUCDJGVNFIJ-WWGRRREGSA-N 2 1 325.478 1.413 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000131996661 530034587 /nfs/dbraw/zinc/03/45/87/530034587.db2.gz RAVSUCDJGVNFIJ-WWGRRREGSA-N 2 1 325.478 1.413 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000177995206 232053316 /nfs/dbraw/zinc/05/33/16/232053316.db2.gz GJYJVMRHQNIOPQ-UXLLHSPISA-N 2 1 339.505 1.592 20 0 EDADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000101646433 219150082 /nfs/dbraw/zinc/15/00/82/219150082.db2.gz JILVUOOSJBQHMR-KRWDZBQOSA-N 2 1 346.519 1.781 20 0 EDADMP CC(C)[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000101977878 219178048 /nfs/dbraw/zinc/17/80/48/219178048.db2.gz YJOGLKZRDUNIMC-GJZGRUSLSA-N 2 1 328.501 1.514 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000101977878 219178051 /nfs/dbraw/zinc/17/80/51/219178051.db2.gz YJOGLKZRDUNIMC-GJZGRUSLSA-N 2 1 328.501 1.514 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000134019507 290810911 /nfs/dbraw/zinc/81/09/11/290810911.db2.gz YOWJSHQXEKLXPG-MSOLQXFVSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154256515 539573205 /nfs/dbraw/zinc/57/32/05/539573205.db2.gz NHIAVOLPZPXXCS-FZMZJTMJSA-N 2 1 347.381 1.935 20 0 EDADMP CC(C)(CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000561045710 306281861 /nfs/dbraw/zinc/28/18/61/306281861.db2.gz NDAVWEKIDMNGBO-GOSISDBHSA-N 2 1 345.487 1.736 20 0 EDADMP O=C(CCc1c[nH]cn1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248977784 539694722 /nfs/dbraw/zinc/69/47/22/539694722.db2.gz RMGWXEDQJPYXCY-WMZOPIPTSA-N 2 1 342.443 1.342 20 0 EDADMP O=c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nc2sccn21 ZINC000069030318 215353920 /nfs/dbraw/zinc/35/39/20/215353920.db2.gz BTNWUFLPDSSFQH-UHFFFAOYSA-N 2 1 348.472 1.300 20 0 EDADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc3c(c1)OCCO3)CC[NH2+]CC2 ZINC000562968933 306313981 /nfs/dbraw/zinc/31/39/81/306313981.db2.gz CAUNHRQQTKVMNM-AWEZNQCLSA-N 2 1 345.443 1.860 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000362174214 540004774 /nfs/dbraw/zinc/00/47/74/540004774.db2.gz VFLSAQYXGYYZOA-XWTMOSNGSA-N 2 1 327.513 1.120 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000362174214 540004777 /nfs/dbraw/zinc/00/47/77/540004777.db2.gz VFLSAQYXGYYZOA-XWTMOSNGSA-N 2 1 327.513 1.120 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000362174214 540004780 /nfs/dbraw/zinc/00/47/80/540004780.db2.gz VFLSAQYXGYYZOA-XWTMOSNGSA-N 2 1 327.513 1.120 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC[NH+]1CCCC1 ZINC000075532499 138242871 /nfs/dbraw/zinc/24/28/71/138242871.db2.gz CUGXEAYARNNKCB-UHFFFAOYSA-N 2 1 330.476 1.016 20 0 EDADMP C[N@H+](CCCNC(=O)NCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000077827997 138255411 /nfs/dbraw/zinc/25/54/11/138255411.db2.gz SGYIKURFUDYPSI-UHFFFAOYSA-N 2 1 348.491 1.530 20 0 EDADMP C[N@@H+](CCCNC(=O)NCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000077827997 138255412 /nfs/dbraw/zinc/25/54/12/138255412.db2.gz SGYIKURFUDYPSI-UHFFFAOYSA-N 2 1 348.491 1.530 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090522527 138279293 /nfs/dbraw/zinc/27/92/93/138279293.db2.gz MWVFMXBNZWHAFF-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090522527 138279294 /nfs/dbraw/zinc/27/92/94/138279294.db2.gz MWVFMXBNZWHAFF-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC[N@H+]1C ZINC000123734592 138320802 /nfs/dbraw/zinc/32/08/02/138320802.db2.gz OKUPLUKTZDBHID-NEWSRXKRSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1C ZINC000123734592 138320804 /nfs/dbraw/zinc/32/08/04/138320804.db2.gz OKUPLUKTZDBHID-NEWSRXKRSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000123734592 138320805 /nfs/dbraw/zinc/32/08/05/138320805.db2.gz OKUPLUKTZDBHID-NEWSRXKRSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000123734592 138320806 /nfs/dbraw/zinc/32/08/06/138320806.db2.gz OKUPLUKTZDBHID-NEWSRXKRSA-N 2 1 345.487 1.829 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000131746709 138365280 /nfs/dbraw/zinc/36/52/80/138365280.db2.gz OUKIKBLDGFIJBW-QZTJIDSGSA-N 2 1 331.460 1.344 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000131746709 138365281 /nfs/dbraw/zinc/36/52/81/138365281.db2.gz OUKIKBLDGFIJBW-QZTJIDSGSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)C[NH+]1CCOCC1 ZINC000333597601 295949261 /nfs/dbraw/zinc/94/92/61/295949261.db2.gz PFVHLLCMAAIXEW-DOTOQJQBSA-N 2 1 338.496 1.128 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000564937524 306370364 /nfs/dbraw/zinc/37/03/64/306370364.db2.gz NEQIXTHTTQOABP-KRWDZBQOSA-N 2 1 334.464 1.222 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000565354563 306382140 /nfs/dbraw/zinc/38/21/40/306382140.db2.gz OIAIOAGQRKBOHP-MISYRCLQSA-N 2 1 347.503 1.956 20 0 EDADMP COCCNC(=O)C1([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000414175127 304104421 /nfs/dbraw/zinc/10/44/21/304104421.db2.gz BQFOXHIHGPNERI-FUHWJXTLSA-N 2 1 345.487 1.782 20 0 EDADMP COCCNC(=O)C1([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000414175127 304104424 /nfs/dbraw/zinc/10/44/24/304104424.db2.gz BQFOXHIHGPNERI-FUHWJXTLSA-N 2 1 345.487 1.782 20 0 EDADMP COCCNC(=O)C1([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000414175126 304104490 /nfs/dbraw/zinc/10/44/90/304104490.db2.gz BQFOXHIHGPNERI-AEFFLSMTSA-N 2 1 345.487 1.782 20 0 EDADMP COCCNC(=O)C1([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000414175126 304104492 /nfs/dbraw/zinc/10/44/92/304104492.db2.gz BQFOXHIHGPNERI-AEFFLSMTSA-N 2 1 345.487 1.782 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)CC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000565714170 306389530 /nfs/dbraw/zinc/38/95/30/306389530.db2.gz QQPCFOMJRHHEJA-MRXNPFEDSA-N 2 1 330.476 1.762 20 0 EDADMP CC(C)C[C@H](CNC(=O)C[C@H]([NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000566066038 306397528 /nfs/dbraw/zinc/39/75/28/306397528.db2.gz XIKRPKYKQAFQBQ-RTBURBONSA-N 2 1 347.503 1.810 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)C1 ZINC000414694762 304128311 /nfs/dbraw/zinc/12/83/11/304128311.db2.gz NRUMTZDZCRYMCI-QFBILLFUSA-N 2 1 345.487 1.556 20 0 EDADMP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)CN1CCCCCC1 ZINC000414749232 304137109 /nfs/dbraw/zinc/13/71/09/304137109.db2.gz VTZOXTYLPLKNLB-QGZVFWFLSA-N 2 1 338.540 1.770 20 0 EDADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)CN1CCCCCC1 ZINC000414749232 304137111 /nfs/dbraw/zinc/13/71/11/304137111.db2.gz VTZOXTYLPLKNLB-QGZVFWFLSA-N 2 1 338.540 1.770 20 0 EDADMP CN(CCC[NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000566844868 306429963 /nfs/dbraw/zinc/42/99/63/306429963.db2.gz NFQXBEJWGSDYHT-UHFFFAOYSA-N 2 1 340.418 1.919 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415012069 304150383 /nfs/dbraw/zinc/15/03/83/304150383.db2.gz WYURNDOCKXKSDC-AWEZNQCLSA-N 2 1 341.402 1.488 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCC[N@H+]1C ZINC000415029779 304152496 /nfs/dbraw/zinc/15/24/96/304152496.db2.gz BNFUTDIVILSBAP-BXUZGUMPSA-N 2 1 348.422 1.009 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+](CC)CC2)c1 ZINC000415089274 304158544 /nfs/dbraw/zinc/15/85/44/304158544.db2.gz YSKZLLFCUGTNDK-UHFFFAOYSA-N 2 1 332.448 1.289 20 0 EDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000415098474 304159424 /nfs/dbraw/zinc/15/94/24/304159424.db2.gz FECGJONYJWCKHX-NEWSRXKRSA-N 2 1 345.487 1.577 20 0 EDADMP COc1ccccc1C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415143587 304164291 /nfs/dbraw/zinc/16/42/91/304164291.db2.gz SWJHXKJZJCFXIW-SJORKVTESA-N 2 1 344.459 1.415 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000176867489 296181287 /nfs/dbraw/zinc/18/12/87/296181287.db2.gz XRIKKQBUFWOEAN-QGZVFWFLSA-N 2 1 347.503 1.670 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000176867489 296181290 /nfs/dbraw/zinc/18/12/90/296181290.db2.gz XRIKKQBUFWOEAN-QGZVFWFLSA-N 2 1 347.503 1.670 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236580049 139026563 /nfs/dbraw/zinc/02/65/63/139026563.db2.gz KWNNRCBFINGZAZ-MSOLQXFVSA-N 2 1 333.476 1.767 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236580049 139026564 /nfs/dbraw/zinc/02/65/64/139026564.db2.gz KWNNRCBFINGZAZ-MSOLQXFVSA-N 2 1 333.476 1.767 20 0 EDADMP CC(C)C[C@@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000236679344 139028562 /nfs/dbraw/zinc/02/85/62/139028562.db2.gz JWQQZMOKOSOZCK-ZWKOTPCHSA-N 2 1 333.476 1.420 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236768115 139030865 /nfs/dbraw/zinc/03/08/65/139030865.db2.gz UORLEFMMMJRZFV-QGZVFWFLSA-N 2 1 333.476 1.911 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236768115 139030866 /nfs/dbraw/zinc/03/08/66/139030866.db2.gz UORLEFMMMJRZFV-QGZVFWFLSA-N 2 1 333.476 1.911 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000236812190 139032337 /nfs/dbraw/zinc/03/23/37/139032337.db2.gz KWNMMZNCRDSVTR-SFHVURJKSA-N 2 1 344.459 1.895 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000237588390 139054990 /nfs/dbraw/zinc/05/49/90/139054990.db2.gz OSCXJLOPQACOFC-HYVNUMGLSA-N 2 1 333.501 1.861 20 0 EDADMP C[C@@]1(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCC[NH2+]C1 ZINC000237597960 139055337 /nfs/dbraw/zinc/05/53/37/139055337.db2.gz UUXMNCMECRYUCV-LJQANCHMSA-N 2 1 331.460 1.525 20 0 EDADMP C[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000237608259 139055604 /nfs/dbraw/zinc/05/56/04/139055604.db2.gz WJFSKGYSPIGXHO-PXNSSMCTSA-N 2 1 344.503 1.846 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000111838002 220202891 /nfs/dbraw/zinc/20/28/91/220202891.db2.gz IADIRUAGUBEVAD-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000111838002 220202895 /nfs/dbraw/zinc/20/28/95/220202895.db2.gz IADIRUAGUBEVAD-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000111838002 220202903 /nfs/dbraw/zinc/20/29/03/220202903.db2.gz IADIRUAGUBEVAD-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000238082211 139068462 /nfs/dbraw/zinc/06/84/62/139068462.db2.gz IXZYLCIVCFZODZ-KRWDZBQOSA-N 2 1 333.501 1.468 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000245933435 139090376 /nfs/dbraw/zinc/09/03/76/139090376.db2.gz VEGFOKQOJDSCJQ-FGTMMUONSA-N 2 1 325.497 1.017 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246628057 139115629 /nfs/dbraw/zinc/11/56/29/139115629.db2.gz HRFFLKBQLXCQLQ-CGTJXYLNSA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246628057 139115630 /nfs/dbraw/zinc/11/56/30/139115630.db2.gz HRFFLKBQLXCQLQ-CGTJXYLNSA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246628057 139115631 /nfs/dbraw/zinc/11/56/31/139115631.db2.gz HRFFLKBQLXCQLQ-CGTJXYLNSA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246628057 139115632 /nfs/dbraw/zinc/11/56/32/139115632.db2.gz HRFFLKBQLXCQLQ-CGTJXYLNSA-N 2 1 336.476 1.987 20 0 EDADMP CC[N@H+]1CC[C@H](NCc2cccnc2N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246987183 139129747 /nfs/dbraw/zinc/12/97/47/139129747.db2.gz KMFPHCPPAPDKFB-WMZOPIPTSA-N 2 1 331.508 1.653 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000247292700 139143943 /nfs/dbraw/zinc/14/39/43/139143943.db2.gz UNYOCSTZXIKAEO-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000247292700 139143944 /nfs/dbraw/zinc/14/39/44/139143944.db2.gz UNYOCSTZXIKAEO-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000247292700 139143945 /nfs/dbraw/zinc/14/39/45/139143945.db2.gz UNYOCSTZXIKAEO-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000247292700 139143946 /nfs/dbraw/zinc/14/39/46/139143946.db2.gz UNYOCSTZXIKAEO-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000247308116 139144411 /nfs/dbraw/zinc/14/44/11/139144411.db2.gz VEHGALKJNUYOIV-NVXWUHKLSA-N 2 1 344.459 1.530 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000247308116 139144412 /nfs/dbraw/zinc/14/44/12/139144412.db2.gz VEHGALKJNUYOIV-NVXWUHKLSA-N 2 1 344.459 1.530 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000247308116 139144413 /nfs/dbraw/zinc/14/44/13/139144413.db2.gz VEHGALKJNUYOIV-NVXWUHKLSA-N 2 1 344.459 1.530 20 0 EDADMP O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000248395598 139161889 /nfs/dbraw/zinc/16/18/89/139161889.db2.gz JMGPYMGBYTXTAF-AEFFLSMTSA-N 2 1 349.500 1.943 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1ccccc1 ZINC000248403082 139162249 /nfs/dbraw/zinc/16/22/49/139162249.db2.gz XCKDRDZTEBWUEI-SJORKVTESA-N 2 1 335.492 1.744 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@H](CO)C(C)(C)C)c1ccccc1 ZINC000248403081 139162253 /nfs/dbraw/zinc/16/22/53/139162253.db2.gz XCKDRDZTEBWUEI-IAGOWNOFSA-N 2 1 335.492 1.744 20 0 EDADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCN1C(=O)CCC1=O ZINC000092821144 218171839 /nfs/dbraw/zinc/17/18/39/218171839.db2.gz DNZSKBUKJFUVTA-UHFFFAOYSA-N 2 1 344.459 1.769 20 0 EDADMP C[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000249098452 139185438 /nfs/dbraw/zinc/18/54/38/139185438.db2.gz MZNPCLWTNKEZJS-ATZDWAIDSA-N 2 1 345.487 1.899 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C[C@H]1CCCOC1)c1ccccc1 ZINC000249271854 139190042 /nfs/dbraw/zinc/19/00/42/139190042.db2.gz BMMKVVVGNDIQNU-AEFFLSMTSA-N 2 1 333.476 1.764 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[C@@](C)(C[NH3+])C3)CC2)c1 ZINC000261607076 139210312 /nfs/dbraw/zinc/21/03/12/139210312.db2.gz BJYUPMYJTBUTEI-FQEVSTJZSA-N 2 1 344.503 1.310 20 0 EDADMP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261613747 139211012 /nfs/dbraw/zinc/21/10/12/139211012.db2.gz CJYXHNKHYHPCNG-IFXJQAMLSA-N 2 1 347.459 1.176 20 0 EDADMP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261613747 139211013 /nfs/dbraw/zinc/21/10/13/139211013.db2.gz CJYXHNKHYHPCNG-IFXJQAMLSA-N 2 1 347.459 1.176 20 0 EDADMP O=S(=O)(NC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)c1cccs1 ZINC000261658797 139215056 /nfs/dbraw/zinc/21/50/56/139215056.db2.gz BLZIWEFBRAUASW-CYBMUJFWSA-N 2 1 343.518 1.490 20 0 EDADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc2c(c1)OCO2 ZINC000261756622 139223474 /nfs/dbraw/zinc/22/34/74/139223474.db2.gz VGPOIBXWXGGLNY-OAHLLOKOSA-N 2 1 331.416 1.818 20 0 EDADMP Clc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)nc1 ZINC000261845160 139230898 /nfs/dbraw/zinc/23/08/98/139230898.db2.gz AQWLCELGXFQZOZ-KFWWJZLASA-N 2 1 325.840 1.861 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261855028 139231725 /nfs/dbraw/zinc/23/17/25/139231725.db2.gz RVWCESYNGJUFCK-DNVCBOLYSA-N 2 1 348.466 1.534 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261855028 139231726 /nfs/dbraw/zinc/23/17/26/139231726.db2.gz RVWCESYNGJUFCK-DNVCBOLYSA-N 2 1 348.466 1.534 20 0 EDADMP c1cc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)ccn1 ZINC000261899327 139235157 /nfs/dbraw/zinc/23/51/57/139235157.db2.gz HLJSZEKKPDINMW-AQNXPRMDSA-N 2 1 344.503 1.793 20 0 EDADMP CC(C)N(C)c1cnn([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)c(=O)c1 ZINC000261884305 139233921 /nfs/dbraw/zinc/23/39/21/139233921.db2.gz WSQDBMAACSFWQX-KRWDZBQOSA-N 2 1 347.507 1.724 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000261906486 139235771 /nfs/dbraw/zinc/23/57/71/139235771.db2.gz VUZXJXQOLGEQKA-YOEHRIQHSA-N 2 1 344.459 1.465 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000261906486 139235772 /nfs/dbraw/zinc/23/57/72/139235772.db2.gz VUZXJXQOLGEQKA-YOEHRIQHSA-N 2 1 344.459 1.465 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261936837 139238486 /nfs/dbraw/zinc/23/84/86/139238486.db2.gz KCLPQOGASVTMQV-SWLSCSKDSA-N 2 1 339.892 1.908 20 0 EDADMP COc1ccc(OC)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261991486 139242261 /nfs/dbraw/zinc/24/22/61/139242261.db2.gz SVSGUSSTFCPAOT-KSZLIROESA-N 2 1 334.460 1.993 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262046598 139246492 /nfs/dbraw/zinc/24/64/92/139246492.db2.gz ZALNYVIJFKGGHC-HNNXBMFYSA-N 2 1 327.432 1.159 20 0 EDADMP Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H](C)CO1 ZINC000262074857 139248888 /nfs/dbraw/zinc/24/88/88/139248888.db2.gz KGKXTNUOSOPRAJ-AEFFLSMTSA-N 2 1 331.460 1.579 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262156491 139255979 /nfs/dbraw/zinc/25/59/79/139255979.db2.gz ICEAYFORIPUBTJ-OIISXLGYSA-N 2 1 347.507 1.350 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000262204355 139259682 /nfs/dbraw/zinc/25/96/82/139259682.db2.gz ILUIEIFEROHKAE-CABCVRRESA-N 2 1 341.521 1.231 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2cccc(C[NH2+]C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000415941050 251036697 /nfs/dbraw/zinc/03/66/97/251036697.db2.gz GDWHCDIRALQIAD-FUHWJXTLSA-N 2 1 346.475 1.981 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000415977349 251042476 /nfs/dbraw/zinc/04/24/76/251042476.db2.gz XNLJTIUAIILBBS-QGZVFWFLSA-N 2 1 334.464 1.764 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000416012097 251046318 /nfs/dbraw/zinc/04/63/18/251046318.db2.gz QNOQVFOCNRJYFY-UHFFFAOYSA-N 2 1 334.464 1.981 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000416012097 251046319 /nfs/dbraw/zinc/04/63/19/251046319.db2.gz QNOQVFOCNRJYFY-UHFFFAOYSA-N 2 1 334.464 1.981 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000262276299 139265851 /nfs/dbraw/zinc/26/58/51/139265851.db2.gz TWVOQDXNHJHUPP-ZFWWWQNUSA-N 2 1 349.431 1.146 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262295187 139267467 /nfs/dbraw/zinc/26/74/67/139267467.db2.gz OOHUPNMGHCMXPE-RTBURBONSA-N 2 1 344.503 1.568 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262316250 139269419 /nfs/dbraw/zinc/26/94/19/139269419.db2.gz QVRFLJCERVNFBM-INIZCTEOSA-N 2 1 333.480 1.198 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417015283 251132883 /nfs/dbraw/zinc/13/28/83/251132883.db2.gz FJPOQBXOOPTGIZ-HZPDHXFCSA-N 2 1 330.476 1.814 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417268533 251151526 /nfs/dbraw/zinc/15/15/26/251151526.db2.gz JWDRSMWUPIMGOS-HZPDHXFCSA-N 2 1 348.491 1.834 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417268533 251151529 /nfs/dbraw/zinc/15/15/29/251151529.db2.gz JWDRSMWUPIMGOS-HZPDHXFCSA-N 2 1 348.491 1.834 20 0 EDADMP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000262352880 139272530 /nfs/dbraw/zinc/27/25/30/139272530.db2.gz JIJMDROMAHYKQP-QZTJIDSGSA-N 2 1 331.460 1.536 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000417498692 251181319 /nfs/dbraw/zinc/18/13/19/251181319.db2.gz DITAAXZWQLGSBG-QZTJIDSGSA-N 2 1 348.491 1.829 20 0 EDADMP COCC1(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC[NH2+]CC1 ZINC000262360092 139272932 /nfs/dbraw/zinc/27/29/32/139272932.db2.gz KCRWMBGZZOGPFN-UHFFFAOYSA-N 2 1 345.487 1.655 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000417569690 251192399 /nfs/dbraw/zinc/19/23/99/251192399.db2.gz RAMUQVVAHUPKJY-KRWDZBQOSA-N 2 1 338.496 1.271 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@H](CC[NH3+])C(F)F)CC2)[nH+]1 ZINC000417703475 251233821 /nfs/dbraw/zinc/23/38/21/251233821.db2.gz RATIFESCNJMFQZ-CYBMUJFWSA-N 2 1 341.406 1.641 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)[nH+]1 ZINC000417699981 251234085 /nfs/dbraw/zinc/23/40/85/251234085.db2.gz LMOGGDRNTJMMMR-BBRMVZONSA-N 2 1 331.464 1.656 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000417669580 251220764 /nfs/dbraw/zinc/22/07/64/251220764.db2.gz LXGWSOLOFODBFZ-OTBWCIGPSA-N 2 1 340.512 1.693 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC(C)(C)[NH3+] ZINC000417723802 251243679 /nfs/dbraw/zinc/24/36/79/251243679.db2.gz CMCGLRIBTVSOFM-OAHLLOKOSA-N 2 1 333.480 1.234 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417752389 251255800 /nfs/dbraw/zinc/25/58/00/251255800.db2.gz MMQCWJUIPGAFFS-BRWVUGGUSA-N 2 1 339.528 1.029 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H]2COCC[NH2+]2)cc1 ZINC000262483164 139281514 /nfs/dbraw/zinc/28/15/14/139281514.db2.gz ZVNLIWUZRNDGFQ-XJKSGUPXSA-N 2 1 328.416 1.736 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)CCC(F)(F)F ZINC000418078655 251321712 /nfs/dbraw/zinc/32/17/12/251321712.db2.gz OPSWAHQIJDHOSZ-YNEHKIRRSA-N 2 1 336.402 1.639 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000418434587 251369788 /nfs/dbraw/zinc/36/97/88/251369788.db2.gz FHELPYMGGDNELY-DLBZAZTESA-N 2 1 339.528 1.171 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418199149 251354758 /nfs/dbraw/zinc/35/47/58/251354758.db2.gz MWZUERBINGUXFL-HNNXBMFYSA-N 2 1 328.501 1.422 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000418713804 251392819 /nfs/dbraw/zinc/39/28/19/251392819.db2.gz YFNWTNUJJRXLLG-SJORKVTESA-N 2 1 347.507 1.181 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418688752 251385793 /nfs/dbraw/zinc/38/57/93/251385793.db2.gz FHFRGNXFDXUYKH-VQIMIIECSA-N 2 1 348.491 1.440 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422886488 252012454 /nfs/dbraw/zinc/01/24/54/252012454.db2.gz JERQUVWZTXTMOD-DAYGRLMNSA-N 3 1 332.492 1.599 20 0 EDADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422901721 252016576 /nfs/dbraw/zinc/01/65/76/252016576.db2.gz LUGLORYKLONNDA-HZPDHXFCSA-N 2 1 325.478 1.685 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000423482346 252055045 /nfs/dbraw/zinc/05/50/45/252055045.db2.gz QSFXCNPYIPMFIG-DGCLKSJQSA-N 2 1 347.431 1.954 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000423857730 252093663 /nfs/dbraw/zinc/09/36/63/252093663.db2.gz YEZLPQDOFMLTTP-FUHWJXTLSA-N 2 1 333.476 1.782 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@@H](C[NH3+])C2CCCC2)c2ccccc2)CC1 ZINC000423959922 252109236 /nfs/dbraw/zinc/10/92/36/252109236.db2.gz NCGWLNSIZWMMRO-OALUTQOASA-N 2 1 344.503 1.609 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000423801324 252081335 /nfs/dbraw/zinc/08/13/35/252081335.db2.gz SUUOFCFXARXVEQ-KSZLIROESA-N 2 1 330.476 1.750 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424139537 252140689 /nfs/dbraw/zinc/14/06/89/252140689.db2.gz VNSYBXWYOKNTOK-HOTGVXAUSA-N 2 1 348.495 1.445 20 0 EDADMP Cc1cc(F)c(C[NH2+]CCCCN2CC[NH+](CCO)CC2)c(F)c1 ZINC000424144132 252140768 /nfs/dbraw/zinc/14/07/68/252140768.db2.gz KRCBVIJMJPLUPK-UHFFFAOYSA-N 2 1 341.446 1.753 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000424142641 252141081 /nfs/dbraw/zinc/14/10/81/252141081.db2.gz IPFOFVKEXIHQHT-HNNXBMFYSA-N 2 1 344.463 1.602 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424156779 252147685 /nfs/dbraw/zinc/14/76/85/252147685.db2.gz OUBYUZKLJWIORM-HOTGVXAUSA-N 2 1 348.495 1.587 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000569755442 306518928 /nfs/dbraw/zinc/51/89/28/306518928.db2.gz FPIKLRUKXAALRH-ULQDDVLXSA-N 2 1 343.512 1.157 20 0 EDADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2csc(C[NH3+])n2)cc1 ZINC000263255792 139331265 /nfs/dbraw/zinc/33/12/65/139331265.db2.gz KYECWTFUFUVDIO-UHFFFAOYSA-N 2 1 347.444 1.744 20 0 EDADMP CN(C)c1nc(N2CCN(C(=O)[C@H]3CCCC[C@]3(C)[NH3+])CC2)cc[nH+]1 ZINC000263306911 139334747 /nfs/dbraw/zinc/33/47/47/139334747.db2.gz YAIATOJUBNKDQH-KDOFPFPSSA-N 2 1 346.479 1.099 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000488627278 255047007 /nfs/dbraw/zinc/04/70/07/255047007.db2.gz JAARPRPOORDJIU-KRWDZBQOSA-N 2 1 346.475 1.485 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000488627278 255047008 /nfs/dbraw/zinc/04/70/08/255047008.db2.gz JAARPRPOORDJIU-KRWDZBQOSA-N 2 1 346.475 1.485 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c2C1 ZINC000263854758 139364923 /nfs/dbraw/zinc/36/49/23/139364923.db2.gz BMBGPVAANDSXCN-CYBMUJFWSA-N 2 1 332.448 1.417 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c2C1 ZINC000263854758 139364924 /nfs/dbraw/zinc/36/49/24/139364924.db2.gz BMBGPVAANDSXCN-CYBMUJFWSA-N 2 1 332.448 1.417 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000337816196 285262706 /nfs/dbraw/zinc/26/27/06/285262706.db2.gz QSRHCPRRXGWBCY-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496228961 255366964 /nfs/dbraw/zinc/36/69/64/255366964.db2.gz PZJRGUMNEUHKTR-OAHLLOKOSA-N 2 1 327.469 1.431 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496228961 255366965 /nfs/dbraw/zinc/36/69/65/255366965.db2.gz PZJRGUMNEUHKTR-OAHLLOKOSA-N 2 1 327.469 1.431 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@](C)(O)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000496260597 255372194 /nfs/dbraw/zinc/37/21/94/255372194.db2.gz DAKDPAZDCWGTLY-SUMWQHHRSA-N 2 1 338.452 1.865 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2C1 ZINC000415817350 304277050 /nfs/dbraw/zinc/27/70/50/304277050.db2.gz PYYOITTYCLZOLR-DYVFJYSZSA-N 2 1 342.443 1.171 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2C1 ZINC000415817350 304277051 /nfs/dbraw/zinc/27/70/51/304277051.db2.gz PYYOITTYCLZOLR-DYVFJYSZSA-N 2 1 342.443 1.171 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)C1 ZINC000118093914 221114864 /nfs/dbraw/zinc/11/48/64/221114864.db2.gz YVPIAAWOZXGXFS-OAHLLOKOSA-N 2 1 346.475 1.535 20 0 EDADMP c1nc2n(n1)C[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000118975725 221215221 /nfs/dbraw/zinc/21/52/21/221215221.db2.gz PDFASYCTQFCITJ-SFHVURJKSA-N 2 1 325.460 1.890 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000154937796 224329468 /nfs/dbraw/zinc/32/94/68/224329468.db2.gz VJYYSCZNTLZNBF-HNNXBMFYSA-N 2 1 334.464 1.626 20 0 EDADMP CC[N@@H+](CCCO)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000270738002 140159079 /nfs/dbraw/zinc/15/90/79/140159079.db2.gz POCTTXFFKSWGIF-QGZVFWFLSA-N 2 1 347.503 1.860 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000270903690 140195099 /nfs/dbraw/zinc/19/50/99/140195099.db2.gz ROBPLHCEUZJDFR-QZTJIDSGSA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270903690 140195100 /nfs/dbraw/zinc/19/51/00/140195100.db2.gz ROBPLHCEUZJDFR-QZTJIDSGSA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270903690 140195101 /nfs/dbraw/zinc/19/51/01/140195101.db2.gz ROBPLHCEUZJDFR-QZTJIDSGSA-N 2 1 333.476 1.326 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000270910720 140196655 /nfs/dbraw/zinc/19/66/55/140196655.db2.gz BHQOEFGHXBNPFA-INIZCTEOSA-N 2 1 331.460 1.129 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000331352192 141010670 /nfs/dbraw/zinc/01/06/70/141010670.db2.gz ONKZEVRKCJCGIJ-SJORKVTESA-N 2 1 339.524 1.704 20 0 EDADMP CC[C@H](Cn1cncn1)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000331909756 141096925 /nfs/dbraw/zinc/09/69/25/141096925.db2.gz XYIUKONWVXXZFP-OAHLLOKOSA-N 2 1 329.452 1.722 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])CC2)nc(C)[nH+]1 ZINC000332071561 141117781 /nfs/dbraw/zinc/11/77/81/141117781.db2.gz VWLVJWQKGZLEOZ-HZPDHXFCSA-N 2 1 346.479 1.631 20 0 EDADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cn1C ZINC000332185870 141136787 /nfs/dbraw/zinc/13/67/87/141136787.db2.gz WPRLDMCSSSPKFA-AEFFLSMTSA-N 2 1 349.475 1.669 20 0 EDADMP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000332400443 141175462 /nfs/dbraw/zinc/17/54/62/141175462.db2.gz YBRAXQAMCDFQQQ-AWEZNQCLSA-N 2 1 344.459 1.634 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000333186679 141277807 /nfs/dbraw/zinc/27/78/07/141277807.db2.gz NANKVQSVCSIJCW-HNSVSWJLSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333373054 141307458 /nfs/dbraw/zinc/30/74/58/141307458.db2.gz FZCKIEPSSPHVHU-WMLDXEAASA-N 2 1 345.491 1.818 20 0 EDADMP Cc1cnccc1OC1CCN(CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC000333573095 141338949 /nfs/dbraw/zinc/33/89/49/141338949.db2.gz IWTHIHAKAIANBJ-CYBMUJFWSA-N 2 1 332.404 1.174 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000333641492 141349263 /nfs/dbraw/zinc/34/92/63/141349263.db2.gz UKIAHAPILJSKRA-IRXDYDNUSA-N 2 1 343.475 1.741 20 0 EDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000333647996 141350174 /nfs/dbraw/zinc/35/01/74/141350174.db2.gz JILSMNFAMZSJTD-HUUCEWRRSA-N 2 1 329.452 1.025 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000333653330 141351108 /nfs/dbraw/zinc/35/11/08/141351108.db2.gz KERPPRICTQIDGR-VQHPVUNQSA-N 2 1 338.496 1.127 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000339318524 142013461 /nfs/dbraw/zinc/01/34/61/142013461.db2.gz SSPIXKLIJJDNAU-OWCLPIDISA-N 2 1 328.501 1.230 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339318524 142013462 /nfs/dbraw/zinc/01/34/62/142013462.db2.gz SSPIXKLIJJDNAU-OWCLPIDISA-N 2 1 328.501 1.230 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339318524 142013463 /nfs/dbraw/zinc/01/34/63/142013463.db2.gz SSPIXKLIJJDNAU-OWCLPIDISA-N 2 1 328.501 1.230 20 0 EDADMP CC[NH+](CC)CC1CCN(C(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000339366502 142028433 /nfs/dbraw/zinc/02/84/33/142028433.db2.gz QDJCWOSDWBQYDD-UHFFFAOYSA-N 2 1 328.501 1.328 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000339560582 142077536 /nfs/dbraw/zinc/07/75/36/142077536.db2.gz DJFIYHRYSXKSSQ-KRWDZBQOSA-N 2 1 340.512 1.326 20 0 EDADMP OCC[C@@H]1CSCC[NH+]1C/C=C\C[N@@H+]1CCSC[C@@H]1CCO ZINC000340206387 142302877 /nfs/dbraw/zinc/30/28/77/142302877.db2.gz XJJXRICQPPFTHK-QZLXFXEDSA-N 2 1 346.562 1.142 20 0 EDADMP OCC[C@@H]1CSCC[N@H+]1C/C=C\C[NH+]1CCSC[C@@H]1CCO ZINC000340206387 142302878 /nfs/dbraw/zinc/30/28/78/142302878.db2.gz XJJXRICQPPFTHK-QZLXFXEDSA-N 2 1 346.562 1.142 20 0 EDADMP OCC[C@@H]1CSCC[N@@H+]1C/C=C\C[NH+]1CCSC[C@@H]1CCO ZINC000340206387 142302880 /nfs/dbraw/zinc/30/28/80/142302880.db2.gz XJJXRICQPPFTHK-QZLXFXEDSA-N 2 1 346.562 1.142 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000344858891 143020514 /nfs/dbraw/zinc/02/05/14/143020514.db2.gz RTNSIUCIVVVNPK-IBGZPJMESA-N 2 1 347.503 1.985 20 0 EDADMP CC[C@H]1CN(C(=O)NCCC[NH+](CC)CC)CC[N@H+]1C[C@@H](C)O ZINC000345307634 143076118 /nfs/dbraw/zinc/07/61/18/143076118.db2.gz ALHLWQCMNKEPIG-CVEARBPZSA-N 2 1 328.501 1.205 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000345487666 143097224 /nfs/dbraw/zinc/09/72/24/143097224.db2.gz MOJWGKBAGADMOF-HZMVEIRTSA-N 2 1 338.496 1.100 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1C[C@H](C)O ZINC000345487666 143097225 /nfs/dbraw/zinc/09/72/25/143097225.db2.gz MOJWGKBAGADMOF-HZMVEIRTSA-N 2 1 338.496 1.100 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1C[C@H](C)O ZINC000345487666 143097226 /nfs/dbraw/zinc/09/72/26/143097226.db2.gz MOJWGKBAGADMOF-HZMVEIRTSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H]1[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCC[N@H+]1C ZINC000345755376 143129466 /nfs/dbraw/zinc/12/94/66/143129466.db2.gz RYHXOSIWCCQREY-DLBZAZTESA-N 3 1 341.544 1.384 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346130971 143170840 /nfs/dbraw/zinc/17/08/40/143170840.db2.gz ACFYDHZLDFGJBD-BBWFWOEESA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346130971 143170841 /nfs/dbraw/zinc/17/08/41/143170841.db2.gz ACFYDHZLDFGJBD-BBWFWOEESA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346130971 143170842 /nfs/dbraw/zinc/17/08/42/143170842.db2.gz ACFYDHZLDFGJBD-BBWFWOEESA-N 2 1 325.497 1.580 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000346207023 143179017 /nfs/dbraw/zinc/17/90/17/143179017.db2.gz RUNLXTVLBMGZEL-DNVCBOLYSA-N 2 1 341.459 1.728 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346819211 143248762 /nfs/dbraw/zinc/24/87/62/143248762.db2.gz ICLMLZACXZWGKX-NVXWUHKLSA-N 2 1 325.497 1.581 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346979658 143268046 /nfs/dbraw/zinc/26/80/46/143268046.db2.gz MYQJNWNTTSZSHJ-AEFFLSMTSA-N 2 1 339.524 1.972 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000347049661 143276486 /nfs/dbraw/zinc/27/64/86/143276486.db2.gz NOLHZZSCUUEPAZ-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1)N1CC[NH2+]CC1 ZINC000347100518 143282877 /nfs/dbraw/zinc/28/28/77/143282877.db2.gz LFFSLAAPCDPNNX-INIZCTEOSA-N 2 1 345.443 1.102 20 0 EDADMP Cn1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(-c2ccccc2)n1 ZINC000347194316 143293408 /nfs/dbraw/zinc/29/34/08/143293408.db2.gz GRNNVSFFXUIQLW-INIZCTEOSA-N 2 1 341.459 1.374 20 0 EDADMP CCn1cc(C2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000369805802 155183778 /nfs/dbraw/zinc/18/37/78/155183778.db2.gz PXBLICXRAKKHBV-UHFFFAOYSA-N 2 1 333.480 1.247 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000352711355 149125312 /nfs/dbraw/zinc/12/53/12/149125312.db2.gz BFRIWBGMBBSEKO-HNNXBMFYSA-N 2 1 326.510 1.305 20 0 EDADMP CCOC(=O)[C@@H](C)N(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000352714629 149126763 /nfs/dbraw/zinc/12/67/63/149126763.db2.gz LXJAQOSKXDDVFR-QGZVFWFLSA-N 2 1 333.476 1.688 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000352728982 149132784 /nfs/dbraw/zinc/13/27/84/149132784.db2.gz UJCPJGDCRWNEEY-OAHLLOKOSA-N 2 1 328.526 1.455 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000352728982 149132785 /nfs/dbraw/zinc/13/27/85/149132785.db2.gz UJCPJGDCRWNEEY-OAHLLOKOSA-N 2 1 328.526 1.455 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNCc2ncc(C[NH+](C)C)s2)CC1 ZINC000352758619 149152496 /nfs/dbraw/zinc/15/24/96/149152496.db2.gz ZUJYOYCMIAGIBE-CQSZACIVSA-N 2 1 326.510 1.387 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000416965073 304356463 /nfs/dbraw/zinc/35/64/63/304356463.db2.gz WYFHSDWVGPHYCV-ZACQAIPSSA-N 2 1 339.528 1.027 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000416965062 304356495 /nfs/dbraw/zinc/35/64/95/304356495.db2.gz WYFHSDWVGPHYCV-BRWVUGGUSA-N 2 1 339.528 1.027 20 0 EDADMP COC(=O)CN1CCC[C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354890456 150013513 /nfs/dbraw/zinc/01/35/13/150013513.db2.gz DNZANQJSRFROTD-XUWVNRHRSA-N 2 1 339.480 1.249 20 0 EDADMP CCOC1CC([NH2+]C[C@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)C1 ZINC000354918518 150031431 /nfs/dbraw/zinc/03/14/31/150031431.db2.gz ILUUCKXNVOSNJL-FGZQJIAISA-N 2 1 337.443 1.617 20 0 EDADMP CCSCC[NH2+]C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354929528 150038448 /nfs/dbraw/zinc/03/84/48/150038448.db2.gz VVLMJNRCERAWCD-OLZOCXBDSA-N 2 1 327.473 1.802 20 0 EDADMP C[N@@H+](CCCNC(=O)NCC1(O)CC[NH+](C)CC1)C1CCCCC1 ZINC000354959476 150054864 /nfs/dbraw/zinc/05/48/64/150054864.db2.gz LHLQYFXZWKHJFQ-UHFFFAOYSA-N 2 1 340.512 1.397 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC3CC3)C1)C2 ZINC000354965972 150057561 /nfs/dbraw/zinc/05/75/61/150057561.db2.gz FXPNIQJOVUXBLL-IAGOWNOFSA-N 2 1 330.476 1.944 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC3CC3)C1)C2 ZINC000354965972 150057563 /nfs/dbraw/zinc/05/75/63/150057563.db2.gz FXPNIQJOVUXBLL-IAGOWNOFSA-N 2 1 330.476 1.944 20 0 EDADMP CCOC(=O)[C@@](C)(O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000355065774 150100807 /nfs/dbraw/zinc/10/08/07/150100807.db2.gz WBEJZGFPVSLXGZ-IBGZPJMESA-N 2 1 349.475 1.934 20 0 EDADMP [NH3+][C@@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000417036007 304364075 /nfs/dbraw/zinc/36/40/75/304364075.db2.gz GLOZFORTHKHZSF-MRXNPFEDSA-N 2 1 349.454 1.080 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417048683 304366509 /nfs/dbraw/zinc/36/65/09/304366509.db2.gz XBKPPRMCLRZYNF-JFIYKMOQSA-N 2 1 345.491 1.186 20 0 EDADMP [NH3+][C@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000417049403 304367058 /nfs/dbraw/zinc/36/70/58/304367058.db2.gz GLOZFORTHKHZSF-INIZCTEOSA-N 2 1 349.454 1.080 20 0 EDADMP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000357926915 151198744 /nfs/dbraw/zinc/19/87/44/151198744.db2.gz KPIMINGKLWANIO-BJLQDIEVSA-N 2 1 343.471 1.224 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000417115654 304374008 /nfs/dbraw/zinc/37/40/08/304374008.db2.gz PFGHADHCOHKBLP-ARFHVFGLSA-N 2 1 348.491 1.784 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000370091951 155319918 /nfs/dbraw/zinc/31/99/18/155319918.db2.gz DHFIDJRHMDYWAQ-HNNXBMFYSA-N 2 1 349.479 1.476 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000370091951 155319920 /nfs/dbraw/zinc/31/99/20/155319920.db2.gz DHFIDJRHMDYWAQ-HNNXBMFYSA-N 2 1 349.479 1.476 20 0 EDADMP C[NH+]1CC[C@H]2CCN(C/C=C/CN3CC[C@H]4CC[N@H+](C)[C@H]4C3)C[C@H]21 ZINC000370084026 155317191 /nfs/dbraw/zinc/31/71/91/155317191.db2.gz UEXWFHISPWCQOP-XVFFXJCESA-N 2 1 332.536 1.595 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C/C=C/CN3CC[C@@H]4CC[N@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000370084026 155317195 /nfs/dbraw/zinc/31/71/95/155317195.db2.gz UEXWFHISPWCQOP-XVFFXJCESA-N 2 1 332.536 1.595 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C/C=C/CN3CC[C@@H]4CC[N@@H+](C)[C@@H]4C3)C[C@@H]21 ZINC000370084026 155317197 /nfs/dbraw/zinc/31/71/97/155317197.db2.gz UEXWFHISPWCQOP-XVFFXJCESA-N 2 1 332.536 1.595 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360749445 152184687 /nfs/dbraw/zinc/18/46/87/152184687.db2.gz ZIIXMIZFJIHDOQ-HLLBOEOZSA-N 2 1 340.537 1.692 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000360782325 152202494 /nfs/dbraw/zinc/20/24/94/152202494.db2.gz CJRAVVWDUIIBRO-KRWDZBQOSA-N 2 1 341.544 1.386 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000360782325 152202496 /nfs/dbraw/zinc/20/24/96/152202496.db2.gz CJRAVVWDUIIBRO-KRWDZBQOSA-N 2 1 341.544 1.386 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000360782325 152202497 /nfs/dbraw/zinc/20/24/97/152202497.db2.gz CJRAVVWDUIIBRO-KRWDZBQOSA-N 2 1 341.544 1.386 20 0 EDADMP CCCNC(=O)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000360956081 152263396 /nfs/dbraw/zinc/26/33/96/152263396.db2.gz LFZQOXUSRJQGBE-CABCVRRESA-N 2 1 326.485 1.712 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)CC1 ZINC000360974626 152268295 /nfs/dbraw/zinc/26/82/95/152268295.db2.gz ZNBPEUBYVDQUSL-INIZCTEOSA-N 2 1 345.491 1.645 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3ccncn3)C2)CC1 ZINC000360974626 152268297 /nfs/dbraw/zinc/26/82/97/152268297.db2.gz ZNBPEUBYVDQUSL-INIZCTEOSA-N 2 1 345.491 1.645 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000361109685 152308831 /nfs/dbraw/zinc/30/88/31/152308831.db2.gz NPZIHHPLRLLWKV-ZWKOTPCHSA-N 2 1 346.523 1.451 20 0 EDADMP CO[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000361385597 152379601 /nfs/dbraw/zinc/37/96/01/152379601.db2.gz QRLPOJUVKONSHX-GOSISDBHSA-N 2 1 331.460 1.619 20 0 EDADMP CO[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000361385597 152379603 /nfs/dbraw/zinc/37/96/03/152379603.db2.gz QRLPOJUVKONSHX-GOSISDBHSA-N 2 1 331.460 1.619 20 0 EDADMP CC(C)(C[NH3+])NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417159458 304379179 /nfs/dbraw/zinc/37/91/79/304379179.db2.gz CHDHQIJLKLKJRT-UHFFFAOYSA-N 2 1 340.418 1.966 20 0 EDADMP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000363802812 153060935 /nfs/dbraw/zinc/06/09/35/153060935.db2.gz KFNPPNSNXNVXPL-GVDBMIGSSA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000363802812 153060937 /nfs/dbraw/zinc/06/09/37/153060937.db2.gz KFNPPNSNXNVXPL-GVDBMIGSSA-N 2 1 338.496 1.413 20 0 EDADMP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000364818514 153342223 /nfs/dbraw/zinc/34/22/23/153342223.db2.gz ZIQNBPWKDYLFPU-AKHDSKFASA-N 2 1 349.519 1.330 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[N@H+]2CC[C@H](CNc3ccccn3)C2)C1 ZINC000367274396 154062894 /nfs/dbraw/zinc/06/28/94/154062894.db2.gz MCDVLGQVKPEFOB-HUUCEWRRSA-N 2 1 338.477 1.097 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC=C(c3cncc(F)c3)CC2)CC1 ZINC000367284631 154066859 /nfs/dbraw/zinc/06/68/59/154066859.db2.gz DXQYLFFVHGKLNS-UHFFFAOYSA-N 2 1 332.423 1.474 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC=C(c3cncc(F)c3)CC2)CC1 ZINC000367284631 154066862 /nfs/dbraw/zinc/06/68/62/154066862.db2.gz DXQYLFFVHGKLNS-UHFFFAOYSA-N 2 1 332.423 1.474 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367588727 154189207 /nfs/dbraw/zinc/18/92/07/154189207.db2.gz NPAUENKKTOCIMH-ZACQAIPSSA-N 2 1 337.489 1.557 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417305269 304391760 /nfs/dbraw/zinc/39/17/60/304391760.db2.gz ADHVIGGXQIAKCR-OTWHNJEPSA-N 2 1 342.487 1.902 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CCC[NH2+][C@@H]3C)C2)nc(C)[nH+]1 ZINC000368008005 154366320 /nfs/dbraw/zinc/36/63/20/154366320.db2.gz HKFOGMJQMYUXKC-VNQPRFMTSA-N 2 1 331.464 1.567 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000369548066 155082723 /nfs/dbraw/zinc/08/27/23/155082723.db2.gz UQHAYVKOIWBRIY-JCYILVPMSA-N 2 1 338.496 1.101 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000369658435 155122824 /nfs/dbraw/zinc/12/28/24/155122824.db2.gz DGMRNAMPSIGEHH-ZACQAIPSSA-N 2 1 325.497 1.819 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000371621610 156032855 /nfs/dbraw/zinc/03/28/55/156032855.db2.gz JAXYMCZMJYBQQQ-IRXDYDNUSA-N 2 1 343.475 1.190 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C2CC2)C[C@H](C)C1 ZINC000458420722 292335429 /nfs/dbraw/zinc/33/54/29/292335429.db2.gz AUUGLGFMOXHIOU-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000458420722 292335431 /nfs/dbraw/zinc/33/54/31/292335431.db2.gz AUUGLGFMOXHIOU-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000458420722 292335433 /nfs/dbraw/zinc/33/54/33/292335433.db2.gz AUUGLGFMOXHIOU-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP COCc1nc(C)cc(N2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)n1 ZINC000374253514 157213538 /nfs/dbraw/zinc/21/35/38/157213538.db2.gz IKBAHWGCWWMICP-OAHLLOKOSA-N 2 1 333.480 1.536 20 0 EDADMP [NH3+][C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1)C1CCOCC1 ZINC000374603409 157341673 /nfs/dbraw/zinc/34/16/73/157341673.db2.gz MSJCAJKNKYJKGV-OALUTQOASA-N 2 1 345.487 1.564 20 0 EDADMP C[C@@H]1CN(C[C@@H](O)c2ccccc2F)CC[N@@H+]1C1CCN(C)CC1 ZINC000374608363 157343807 /nfs/dbraw/zinc/34/38/07/157343807.db2.gz WPIUAQSJZXFRPW-DNVCBOLYSA-N 2 1 335.467 1.959 20 0 EDADMP C[C@@H]1CN(C[C@@H](O)c2ccccc2F)CC[N@H+]1C1CCN(C)CC1 ZINC000374608363 157343810 /nfs/dbraw/zinc/34/38/10/157343810.db2.gz WPIUAQSJZXFRPW-DNVCBOLYSA-N 2 1 335.467 1.959 20 0 EDADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000378008957 158055093 /nfs/dbraw/zinc/05/50/93/158055093.db2.gz WYMKLLPPJIXUQC-CRAIPNDOSA-N 2 1 342.503 1.341 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000378008957 158055097 /nfs/dbraw/zinc/05/50/97/158055097.db2.gz WYMKLLPPJIXUQC-CRAIPNDOSA-N 2 1 342.503 1.341 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000378008957 158055099 /nfs/dbraw/zinc/05/50/99/158055099.db2.gz WYMKLLPPJIXUQC-CRAIPNDOSA-N 2 1 342.503 1.341 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1CC(=O)C1 ZINC000378493366 158190739 /nfs/dbraw/zinc/19/07/39/158190739.db2.gz UXMSCCQBQGEGKK-UHFFFAOYSA-N 2 1 335.492 1.620 20 0 EDADMP C[N@H+](CC(=O)NC1CCOCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378542048 158204962 /nfs/dbraw/zinc/20/49/62/158204962.db2.gz SWRLICLHJZYODJ-UHFFFAOYSA-N 2 1 346.475 1.525 20 0 EDADMP COCC[N@H+](C)CC[C@@H](NC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000352352116 162134627 /nfs/dbraw/zinc/13/46/27/162134627.db2.gz DBWODDNKAYUOPB-GOSISDBHSA-N 2 1 348.491 1.653 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000352352116 162134630 /nfs/dbraw/zinc/13/46/30/162134630.db2.gz DBWODDNKAYUOPB-GOSISDBHSA-N 2 1 348.491 1.653 20 0 EDADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000352477617 162202594 /nfs/dbraw/zinc/20/25/94/162202594.db2.gz NOMOTEOIJYOUID-CQSZACIVSA-N 2 1 349.431 1.114 20 0 EDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000352477617 162202596 /nfs/dbraw/zinc/20/25/96/162202596.db2.gz NOMOTEOIJYOUID-CQSZACIVSA-N 2 1 349.431 1.114 20 0 EDADMP COCCCOc1cccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000352534972 162237277 /nfs/dbraw/zinc/23/72/77/162237277.db2.gz KSTOEHLZROSTNT-GOSISDBHSA-N 2 1 333.476 1.581 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)CC1 ZINC000361335076 162302643 /nfs/dbraw/zinc/30/26/43/162302643.db2.gz JUIRYASNQAXARX-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000361335076 162302648 /nfs/dbraw/zinc/30/26/48/162302648.db2.gz JUIRYASNQAXARX-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000361335076 162302651 /nfs/dbraw/zinc/30/26/51/162302651.db2.gz JUIRYASNQAXARX-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000418766471 287140355 /nfs/dbraw/zinc/14/03/55/287140355.db2.gz KSIQVKSMEOAWBP-BZUAXINKSA-N 2 1 326.485 1.005 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[NH+](CC)C(C)C)CC[N@H+]1C[C@H](C)O ZINC000345357909 287140454 /nfs/dbraw/zinc/14/04/54/287140454.db2.gz VOFVHEOQFDOUAW-JKSUJKDBSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[N@H+](CC)C(C)C)CC[NH+]1C[C@H](C)O ZINC000345357909 287140455 /nfs/dbraw/zinc/14/04/55/287140455.db2.gz VOFVHEOQFDOUAW-JKSUJKDBSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[N@@H+](CC)C(C)C)CC[NH+]1C[C@H](C)O ZINC000345357909 287140457 /nfs/dbraw/zinc/14/04/57/287140457.db2.gz VOFVHEOQFDOUAW-JKSUJKDBSA-N 2 1 328.501 1.203 20 0 EDADMP C[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)C(C)(C)C[NH+](C)C ZINC000121206772 287368506 /nfs/dbraw/zinc/36/85/06/287368506.db2.gz ZUEAAXAYBMFWIH-OAHLLOKOSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCSC[C@@H](C)C1 ZINC000665761811 452336220 /nfs/dbraw/zinc/33/62/20/452336220.db2.gz QOUIUVCKSGOTIW-GJZGRUSLSA-N 2 1 330.542 1.653 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCSC[C@@H](C)C1 ZINC000665761811 452336224 /nfs/dbraw/zinc/33/62/24/452336224.db2.gz QOUIUVCKSGOTIW-GJZGRUSLSA-N 2 1 330.542 1.653 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)C[NH2+]C[C@@H]3CCCO3)CC2)[nH+]1 ZINC000237712794 273012098 /nfs/dbraw/zinc/01/20/98/273012098.db2.gz BNOCIJNVUZHQOX-INIZCTEOSA-N 2 1 332.448 1.244 20 0 EDADMP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349355 452527215 /nfs/dbraw/zinc/52/72/15/452527215.db2.gz LWEDZPNPGFHJIW-MROQNXINSA-N 2 1 337.386 1.272 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000248609233 273016472 /nfs/dbraw/zinc/01/64/72/273016472.db2.gz KNXBQEWPGUDJOA-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)CC1 ZINC000275311684 268320267 /nfs/dbraw/zinc/32/02/67/268320267.db2.gz RQELLUFTVPHYJD-IBGZPJMESA-N 2 1 345.487 1.424 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)CC1 ZINC000275311684 268320269 /nfs/dbraw/zinc/32/02/69/268320269.db2.gz RQELLUFTVPHYJD-IBGZPJMESA-N 2 1 345.487 1.424 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000278246892 273256646 /nfs/dbraw/zinc/25/66/46/273256646.db2.gz MDQDZQPRHVZHMW-PBHICJAKSA-N 2 1 335.448 1.710 20 0 EDADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278939398 273274166 /nfs/dbraw/zinc/27/41/66/273274166.db2.gz FYMXURRDCWKBFR-HNNXBMFYSA-N 2 1 339.443 1.275 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278939398 273274167 /nfs/dbraw/zinc/27/41/67/273274167.db2.gz FYMXURRDCWKBFR-HNNXBMFYSA-N 2 1 339.443 1.275 20 0 EDADMP CCOc1ccc([C@H](COC)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000284785279 274331286 /nfs/dbraw/zinc/33/12/86/274331286.db2.gz OHFSKEICAJLAGT-SFHVURJKSA-N 2 1 349.475 1.527 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000345102514 276361196 /nfs/dbraw/zinc/36/11/96/276361196.db2.gz HHJFAOWIKSFOCG-FGTMMUONSA-N 2 1 336.524 1.345 20 0 EDADMP CN1C(=O)C[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000370681194 277013708 /nfs/dbraw/zinc/01/37/08/277013708.db2.gz AFXOFVYBINNCDV-KRWDZBQOSA-N 2 1 341.455 1.732 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000367283283 277319553 /nfs/dbraw/zinc/31/95/53/277319553.db2.gz UIQZLKOVSDPLKT-IAGOWNOFSA-N 2 1 347.459 1.090 20 0 EDADMP CC(C)n1ccnc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261866252 278135495 /nfs/dbraw/zinc/13/54/95/278135495.db2.gz NNXUWMQRSFDGHI-HZPDHXFCSA-N 2 1 333.480 1.544 20 0 EDADMP CC(C)n1ccnc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261866252 278135498 /nfs/dbraw/zinc/13/54/98/278135498.db2.gz NNXUWMQRSFDGHI-HZPDHXFCSA-N 2 1 333.480 1.544 20 0 EDADMP C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000121933310 278208726 /nfs/dbraw/zinc/20/87/26/278208726.db2.gz WMDPTYAOMYPWKU-PKOBYXMFSA-N 2 1 344.503 1.576 20 0 EDADMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000443335095 278299986 /nfs/dbraw/zinc/29/99/86/278299986.db2.gz OCLIPCLGCGRATF-KCITZHQASA-N 2 1 347.503 1.887 20 0 EDADMP CC[N@H+](C)CCNC(=O)NC[C@@H]1OCC[NH+](CC)[C@@H]1c1ccccc1 ZINC000346854066 279030161 /nfs/dbraw/zinc/03/01/61/279030161.db2.gz JFWUZCXWBAFAPS-ZWKOTPCHSA-N 2 1 348.491 1.699 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NC[C@@H]1OCC[NH+](CC)[C@@H]1c1ccccc1 ZINC000346854066 279030162 /nfs/dbraw/zinc/03/01/62/279030162.db2.gz JFWUZCXWBAFAPS-ZWKOTPCHSA-N 2 1 348.491 1.699 20 0 EDADMP CC[NH+](C)CCNC(=O)NC[C@@H]1OCC[N@H+](CC)[C@@H]1c1ccccc1 ZINC000346854066 279030163 /nfs/dbraw/zinc/03/01/63/279030163.db2.gz JFWUZCXWBAFAPS-ZWKOTPCHSA-N 2 1 348.491 1.699 20 0 EDADMP CC[NH+](C)CCNC(=O)NC[C@@H]1OCC[N@@H+](CC)[C@@H]1c1ccccc1 ZINC000346854066 279030164 /nfs/dbraw/zinc/03/01/64/279030164.db2.gz JFWUZCXWBAFAPS-ZWKOTPCHSA-N 2 1 348.491 1.699 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000090232050 288103034 /nfs/dbraw/zinc/10/30/34/288103034.db2.gz DBCKMDDHVFVXES-IOASZLSFSA-N 2 1 329.510 1.261 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000417087925 279124534 /nfs/dbraw/zinc/12/45/34/279124534.db2.gz IRMUBEQZEFLPHF-IAGOWNOFSA-N 2 1 333.480 1.714 20 0 EDADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+]([C@H](C)CO)CC1)c1ccccc1 ZINC000347184493 279140645 /nfs/dbraw/zinc/14/06/45/279140645.db2.gz DIBAURDFUAVSIL-IEBWSBKVSA-N 2 1 347.503 1.985 20 0 EDADMP C[C@@H]1C[N@H+](CC2(CN3C[C@@H](C)[NH+](C)[C@@H](C)C3)COC2)C[C@H](C)N1C ZINC000339621739 288149470 /nfs/dbraw/zinc/14/94/70/288149470.db2.gz JHUWUVROCHRFFQ-USTZCAOPSA-N 2 1 338.540 1.052 20 0 EDADMP C[C@@H]1C[NH+](CC2(CN3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)COC2)C[C@H](C)N1C ZINC000339621739 288149471 /nfs/dbraw/zinc/14/94/71/288149471.db2.gz JHUWUVROCHRFFQ-USTZCAOPSA-N 2 1 338.540 1.052 20 0 EDADMP C[C@@H]1C[NH+](CC2(CN3C[C@@H](C)[N@H+](C)[C@@H](C)C3)COC2)C[C@H](C)N1C ZINC000339621739 288149474 /nfs/dbraw/zinc/14/94/74/288149474.db2.gz JHUWUVROCHRFFQ-USTZCAOPSA-N 2 1 338.540 1.052 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)CC[N@H+]1C[C@H](C)O ZINC000248441924 280360833 /nfs/dbraw/zinc/36/08/33/280360833.db2.gz AIDKEZHGNMYCKD-CAOSSQGBSA-N 2 1 338.496 1.098 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC[NH+]1C[C@H](C)O ZINC000248441924 280360834 /nfs/dbraw/zinc/36/08/34/280360834.db2.gz AIDKEZHGNMYCKD-CAOSSQGBSA-N 2 1 338.496 1.098 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC[NH+]1C[C@H](C)O ZINC000248441924 280360836 /nfs/dbraw/zinc/36/08/36/280360836.db2.gz AIDKEZHGNMYCKD-CAOSSQGBSA-N 2 1 338.496 1.098 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423348520 280396727 /nfs/dbraw/zinc/39/67/27/280396727.db2.gz UECLKZYVXYZYKQ-RHSMWYFYSA-N 2 1 339.505 1.991 20 0 EDADMP C[C@@H]1C[N@H+]([C@H]2Cc3ccccc3[C@@H]2O)CCN1C1CC[NH+](C)CC1 ZINC000374609352 288255060 /nfs/dbraw/zinc/25/50/60/288255060.db2.gz DVDZQFHOIIKQNR-XPGWFJOJSA-N 2 1 329.488 1.745 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000287952685 288365155 /nfs/dbraw/zinc/36/51/55/288365155.db2.gz HAAQOBYEDWQHRJ-SZMVWBNQSA-N 2 1 348.491 1.119 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000376340995 288705540 /nfs/dbraw/zinc/70/55/40/288705540.db2.gz YMTZPHGYPXHBFZ-KGLIPLIRSA-N 2 1 334.468 1.254 20 0 EDADMP COC(=O)c1coc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000289545758 288726840 /nfs/dbraw/zinc/72/68/40/288726840.db2.gz XEXYREAOIVEPFB-UHFFFAOYSA-N 2 1 335.448 1.526 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000494841580 289132084 /nfs/dbraw/zinc/13/20/84/289132084.db2.gz DMGUUVPFJXNHML-UHFFFAOYSA-N 2 1 335.496 1.099 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433007814 289224116 /nfs/dbraw/zinc/22/41/16/289224116.db2.gz BBGXZADOHQHHHB-OAHLLOKOSA-N 2 1 325.478 1.320 20 0 EDADMP CCOc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292189194 289284534 /nfs/dbraw/zinc/28/45/34/289284534.db2.gz REJBMJGISCEHDL-VQIMIIECSA-N 2 1 334.460 1.853 20 0 EDADMP CCOc1ccc(OC[C@H](O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292189194 289284535 /nfs/dbraw/zinc/28/45/35/289284535.db2.gz REJBMJGISCEHDL-VQIMIIECSA-N 2 1 334.460 1.853 20 0 EDADMP CCOc1ccc(OC[C@H](O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292189194 289284536 /nfs/dbraw/zinc/28/45/36/289284536.db2.gz REJBMJGISCEHDL-VQIMIIECSA-N 2 1 334.460 1.853 20 0 EDADMP CCOc1ccc(OC[C@H](O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292189194 289284537 /nfs/dbraw/zinc/28/45/37/289284537.db2.gz REJBMJGISCEHDL-VQIMIIECSA-N 2 1 334.460 1.853 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000423785307 290175960 /nfs/dbraw/zinc/17/59/60/290175960.db2.gz RMHFMPNVWQLDKG-RBUKOAKNSA-N 2 1 327.472 1.931 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)N[C@H](C[NH3+])CC(C)C ZINC000418446323 295411524 /nfs/dbraw/zinc/41/15/24/295411524.db2.gz PIASTWBACXPKHI-GOEBONIOSA-N 2 1 334.464 1.725 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)CC2)c1 ZINC000418541002 304510324 /nfs/dbraw/zinc/51/03/24/304510324.db2.gz ATWDQFCDELBGTL-SJLPKXTDSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000418699883 304529833 /nfs/dbraw/zinc/52/98/33/304529833.db2.gz BGQXRVLYYXPXDJ-OAHLLOKOSA-N 2 1 340.418 1.805 20 0 EDADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074302 298119256 /nfs/dbraw/zinc/11/92/56/298119256.db2.gz JOJGTOQYJLEIOG-CQSZACIVSA-N 2 1 338.496 1.807 20 0 EDADMP CSC1(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)CC1 ZINC000377713731 447311824 /nfs/dbraw/zinc/31/18/24/447311824.db2.gz APQXHDSVEPHBTM-STQMWFEESA-N 2 1 339.484 1.945 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448465884 447321565 /nfs/dbraw/zinc/32/15/65/447321565.db2.gz KDUPSJQVDGBYJI-QGZVFWFLSA-N 2 1 342.528 1.574 20 0 EDADMP CC(C)[NH2+]CCC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000165804865 302938130 /nfs/dbraw/zinc/93/81/30/302938130.db2.gz WACGXWHUOGAOLS-UHFFFAOYSA-N 2 1 346.475 1.330 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cn2cc[nH+]c12 ZINC000293796678 303020172 /nfs/dbraw/zinc/02/01/72/303020172.db2.gz QYOIJHLDQLPINM-UHFFFAOYSA-N 2 1 343.431 1.524 20 0 EDADMP C[C@H](C(=O)Nc1ccnn1CC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000294013465 303051898 /nfs/dbraw/zinc/05/18/98/303051898.db2.gz IUXVRWJTSBWVNW-OAHLLOKOSA-N 2 1 329.448 1.904 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000294861539 303151041 /nfs/dbraw/zinc/15/10/41/303151041.db2.gz CAKVCGFUZWIEIK-AWEZNQCLSA-N 2 1 345.447 1.818 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000294861539 303151043 /nfs/dbraw/zinc/15/10/43/303151043.db2.gz CAKVCGFUZWIEIK-AWEZNQCLSA-N 2 1 345.447 1.818 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)[N@@H+]1C ZINC000296380629 303313625 /nfs/dbraw/zinc/31/36/25/303313625.db2.gz OVQDAQZWFGGOED-IYBDPMFKSA-N 2 1 345.491 1.780 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000418156515 303368222 /nfs/dbraw/zinc/36/82/22/303368222.db2.gz ARRNRWXCYYSRLH-UHFFFAOYSA-N 2 1 332.439 1.926 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000414884006 447343541 /nfs/dbraw/zinc/34/35/41/447343541.db2.gz UFACHLJGSHWZDK-INIZCTEOSA-N 2 1 332.448 1.335 20 0 EDADMP Cc1cc(N2CCC(NC(=O)C[C@H]3CCC[NH2+]CC3)CC2)nc(C)[nH+]1 ZINC000427287650 304988016 /nfs/dbraw/zinc/98/80/16/304988016.db2.gz LTNPDFVGIJNOBZ-INIZCTEOSA-N 2 1 345.491 1.958 20 0 EDADMP C[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000428943097 305020649 /nfs/dbraw/zinc/02/06/49/305020649.db2.gz DJRXNPCMQPOAOD-MJGOQNOKSA-N 2 1 344.503 1.309 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC[NH2+]CC2)CC1 ZINC000430590655 305057623 /nfs/dbraw/zinc/05/76/23/305057623.db2.gz IBPBBWGIAHUIFO-UHFFFAOYSA-N 2 1 344.503 1.325 20 0 EDADMP O=C([C@@H]1CCC[N@H+](CCOc2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC000430609102 305058509 /nfs/dbraw/zinc/05/85/09/305058509.db2.gz GOGZSSRCYRYHNC-OAHLLOKOSA-N 2 1 335.423 1.348 20 0 EDADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430609371 305058588 /nfs/dbraw/zinc/05/85/88/305058588.db2.gz HIIXDMYHLLMUKD-JKSUJKDBSA-N 2 1 346.475 1.417 20 0 EDADMP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430610198 305058690 /nfs/dbraw/zinc/05/86/90/305058690.db2.gz JZYYTCXUEHNIMY-RYUDHWBXSA-N 2 1 349.460 1.646 20 0 EDADMP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430610198 305058691 /nfs/dbraw/zinc/05/86/91/305058691.db2.gz JZYYTCXUEHNIMY-RYUDHWBXSA-N 2 1 349.460 1.646 20 0 EDADMP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430613046 305059031 /nfs/dbraw/zinc/05/90/31/305059031.db2.gz UHUQTWSMXQAHKC-ZBFHGGJFSA-N 2 1 346.475 1.363 20 0 EDADMP O=C([C@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000430624427 305059786 /nfs/dbraw/zinc/05/97/86/305059786.db2.gz ILCUCNWTRXQVGR-HNNXBMFYSA-N 2 1 335.423 1.348 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000430690432 305062332 /nfs/dbraw/zinc/06/23/32/305062332.db2.gz GLLRVSPZWNOFHE-INIZCTEOSA-N 2 1 344.459 1.594 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000430690432 305062333 /nfs/dbraw/zinc/06/23/33/305062333.db2.gz GLLRVSPZWNOFHE-INIZCTEOSA-N 2 1 344.459 1.594 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COC2C[NH2+]C2)C1 ZINC000430751681 305063957 /nfs/dbraw/zinc/06/39/57/305063957.db2.gz YRODTKYEHWWEKW-OAHLLOKOSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]([NH3+])c1ccccc1 ZINC000430894252 305067220 /nfs/dbraw/zinc/06/72/20/305067220.db2.gz LYNUEJUOOMYOOW-UAGQMJEPSA-N 2 1 346.475 1.026 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2OC)CC1 ZINC000430913362 305067713 /nfs/dbraw/zinc/06/77/13/305067713.db2.gz UNEPHRQRIUWHQC-QGZVFWFLSA-N 2 1 335.448 1.312 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000430917270 305067880 /nfs/dbraw/zinc/06/78/80/305067880.db2.gz YGENKYLLEIGTLG-ROUUACIJSA-N 2 1 349.475 1.191 20 0 EDADMP COCC[C@]1(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000431059693 305074036 /nfs/dbraw/zinc/07/40/36/305074036.db2.gz CXDMQGLDCRSHFR-XKGZKEIXSA-N 2 1 345.487 1.954 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CC2)CCO1 ZINC000431062738 305074082 /nfs/dbraw/zinc/07/40/82/305074082.db2.gz SWESZUHSOZDVCB-KBAYOESNSA-N 2 1 337.508 1.996 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000434279930 305119634 /nfs/dbraw/zinc/11/96/34/305119634.db2.gz BKHBAWQNHRGGHX-LSDHHAIUSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[N@H+]1C1CC1 ZINC000434279930 305119635 /nfs/dbraw/zinc/11/96/35/305119635.db2.gz BKHBAWQNHRGGHX-LSDHHAIUSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[NH+]1C1CC1 ZINC000434279930 305119636 /nfs/dbraw/zinc/11/96/36/305119636.db2.gz BKHBAWQNHRGGHX-LSDHHAIUSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[NH+]1C1CC1 ZINC000434279930 305119637 /nfs/dbraw/zinc/11/96/37/305119637.db2.gz BKHBAWQNHRGGHX-LSDHHAIUSA-N 2 1 338.496 1.364 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434522045 305124096 /nfs/dbraw/zinc/12/40/96/305124096.db2.gz FHXSBHWHIMQMJN-ZWKOTPCHSA-N 2 1 337.508 1.913 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)n1C ZINC000435552627 305142147 /nfs/dbraw/zinc/14/21/47/305142147.db2.gz UTTFTMIJTMESAX-HNNXBMFYSA-N 2 1 348.495 1.550 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)n1C ZINC000435552627 305142148 /nfs/dbraw/zinc/14/21/48/305142148.db2.gz UTTFTMIJTMESAX-HNNXBMFYSA-N 2 1 348.495 1.550 20 0 EDADMP C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000435580268 305142891 /nfs/dbraw/zinc/14/28/91/305142891.db2.gz PPHYDLBNLANMRK-JKSUJKDBSA-N 2 1 338.496 1.223 20 0 EDADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000436053980 305151556 /nfs/dbraw/zinc/15/15/56/305151556.db2.gz OXPJJHOTKKIOKM-UHFFFAOYSA-N 2 1 337.439 1.851 20 0 EDADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000436053980 305151557 /nfs/dbraw/zinc/15/15/57/305151557.db2.gz OXPJJHOTKKIOKM-UHFFFAOYSA-N 2 1 337.439 1.851 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)(N2CCCCC2)CC1 ZINC000436308231 305155785 /nfs/dbraw/zinc/15/57/85/305155785.db2.gz TWGWZGQIHMUDFI-YLJYHZDGSA-N 2 1 348.535 1.443 20 0 EDADMP C[NH+](C)CCCC1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000436508192 305159098 /nfs/dbraw/zinc/15/90/98/305159098.db2.gz CIMATKCZLPMZKD-UHFFFAOYSA-N 2 1 340.512 1.472 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+]C2(CO)CCCC2)CC1 ZINC000441015745 305216462 /nfs/dbraw/zinc/21/64/62/305216462.db2.gz KWODDXUNTXYBPE-QGZVFWFLSA-N 2 1 345.487 1.787 20 0 EDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000443079390 305234784 /nfs/dbraw/zinc/23/47/84/305234784.db2.gz ZHPRNZHYUMXDLS-AWEZNQCLSA-N 2 1 333.432 1.847 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCCCC1 ZINC000444548778 305250198 /nfs/dbraw/zinc/25/01/98/305250198.db2.gz KQJVUQBIZRIIPJ-IAGOWNOFSA-N 2 1 339.524 1.801 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCCCC1 ZINC000444548778 305250199 /nfs/dbraw/zinc/25/01/99/305250199.db2.gz KQJVUQBIZRIIPJ-IAGOWNOFSA-N 2 1 339.524 1.801 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C(C)C)C2)C1 ZINC000446719819 305269858 /nfs/dbraw/zinc/26/98/58/305269858.db2.gz JXGDSOTVHFHCQO-IRXDYDNUSA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C(C)C)C2)C1 ZINC000446719819 305269859 /nfs/dbraw/zinc/26/98/59/305269859.db2.gz JXGDSOTVHFHCQO-IRXDYDNUSA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](C(C)C)C2)C1 ZINC000446719819 305269860 /nfs/dbraw/zinc/26/98/60/305269860.db2.gz JXGDSOTVHFHCQO-IRXDYDNUSA-N 2 1 325.497 1.437 20 0 EDADMP Cc1ccc(NC(=O)CC[N@H+](C)CCN(C)C2CC[NH+](C)CC2)nc1 ZINC000447312355 305277899 /nfs/dbraw/zinc/27/78/99/305277899.db2.gz LWJUPCLYHNKVCG-UHFFFAOYSA-N 2 1 347.507 1.676 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCSC1 ZINC000448250022 305294346 /nfs/dbraw/zinc/29/43/46/305294346.db2.gz RGMHTVXWUBJJDQ-HOTGVXAUSA-N 2 1 342.553 1.797 20 0 EDADMP C[C@H]1CN(CC(=O)N2CC[NH+](C)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000448552207 305298085 /nfs/dbraw/zinc/29/80/85/305298085.db2.gz PPTPWOKYFMVSKH-GOSISDBHSA-N 2 1 344.503 1.214 20 0 EDADMP C[C@H]1CN(CC(=O)N2CC[NH+](C)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000448552207 305298086 /nfs/dbraw/zinc/29/80/86/305298086.db2.gz PPTPWOKYFMVSKH-GOSISDBHSA-N 2 1 344.503 1.214 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000449317544 305311206 /nfs/dbraw/zinc/31/12/06/305311206.db2.gz SMLBFZWBWVLUMT-ICSRJNTNSA-N 2 1 345.487 1.391 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000449348236 305312004 /nfs/dbraw/zinc/31/20/04/305312004.db2.gz KSIBNDBRUSMHLY-ICSRJNTNSA-N 2 1 345.487 1.487 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC[N@H+]1CCOC ZINC000449348236 305312005 /nfs/dbraw/zinc/31/20/05/305312005.db2.gz KSIBNDBRUSMHLY-ICSRJNTNSA-N 2 1 345.487 1.487 20 0 EDADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449351036 305312322 /nfs/dbraw/zinc/31/23/22/305312322.db2.gz NRDKXYJEYUBQQS-APWZRJJASA-N 2 1 331.460 1.145 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000451335369 305339839 /nfs/dbraw/zinc/33/98/39/305339839.db2.gz DDKYWOTXTDUVOJ-BSDSXHPESA-N 2 1 337.508 1.555 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000451335369 305339840 /nfs/dbraw/zinc/33/98/40/305339840.db2.gz DDKYWOTXTDUVOJ-BSDSXHPESA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000419698467 447356571 /nfs/dbraw/zinc/35/65/71/447356571.db2.gz SVLDDNVSJNWWOW-CQSZACIVSA-N 2 1 346.475 1.313 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[C@H](C)[N@@H+]1CCO ZINC000458425874 447358943 /nfs/dbraw/zinc/35/89/43/447358943.db2.gz WEODFGGDHNENHY-OWCLPIDISA-N 2 1 342.528 1.449 20 0 EDADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000517031364 305746693 /nfs/dbraw/zinc/74/66/93/305746693.db2.gz ONHGDKGNXRCPCN-LXINESAQSA-N 2 1 331.464 1.047 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000419705525 447361564 /nfs/dbraw/zinc/36/15/64/447361564.db2.gz ZWHPGBWCUPQLNS-HOTGVXAUSA-N 2 1 340.512 1.247 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@H]1C ZINC000414937088 447364369 /nfs/dbraw/zinc/36/43/69/447364369.db2.gz HKYIUGXGGZEEHG-RHSMWYFYSA-N 2 1 346.475 1.676 20 0 EDADMP C[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000538650247 306031249 /nfs/dbraw/zinc/03/12/49/306031249.db2.gz PKSZVMZVWGXPBA-SFHVURJKSA-N 2 1 333.476 1.593 20 0 EDADMP CN(CCC(=O)NCCCC[N@H+]1CCC[C@H]1CO)c1cc[nH+]cc1 ZINC000543714158 306067522 /nfs/dbraw/zinc/06/75/22/306067522.db2.gz KRUVINSSZKYJBI-KRWDZBQOSA-N 2 1 334.464 1.261 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000547296874 306097769 /nfs/dbraw/zinc/09/77/69/306097769.db2.gz BWCIDORHDKDMSK-MJGOQNOKSA-N 2 1 346.475 1.189 20 0 EDADMP CC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000547649333 306106298 /nfs/dbraw/zinc/10/62/98/306106298.db2.gz MCZYIIXJAHMQQB-QRFRQXIXSA-N 2 1 345.487 1.612 20 0 EDADMP CC[C@]1(O)CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000547649333 306106299 /nfs/dbraw/zinc/10/62/99/306106299.db2.gz MCZYIIXJAHMQQB-QRFRQXIXSA-N 2 1 345.487 1.612 20 0 EDADMP CC[C@]1(O)CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000547649333 306106300 /nfs/dbraw/zinc/10/63/00/306106300.db2.gz MCZYIIXJAHMQQB-QRFRQXIXSA-N 2 1 345.487 1.612 20 0 EDADMP CC[C@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ncc[nH]1 ZINC000547750469 306110572 /nfs/dbraw/zinc/11/05/72/306110572.db2.gz UBTMKSKKGHGQCK-AWEZNQCLSA-N 2 1 330.436 1.623 20 0 EDADMP CCNc1nc(N(C)CC2([NH+](C)C)CCC2)nc(NC(C)(C)C)[nH+]1 ZINC000553537767 306186382 /nfs/dbraw/zinc/18/63/82/306186382.db2.gz SBYUPXFOWVBBEK-UHFFFAOYSA-N 2 1 335.500 1.856 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)N3CC[C@H]([NH3+])C3)CCCCC2)CCO1 ZINC000557162205 306225189 /nfs/dbraw/zinc/22/51/89/306225189.db2.gz HPNQXGGXCCPFCQ-HNNXBMFYSA-N 2 1 338.496 1.543 20 0 EDADMP COC[C@@]1(C[NH2+][C@H](C)Cn2cc(Br)cn2)CCC[NH2+]1 ZINC000414948618 447368408 /nfs/dbraw/zinc/36/84/08/447368408.db2.gz XWMDGVAKJSXERU-YPMHNXCESA-N 2 1 331.258 1.392 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422146693 447372655 /nfs/dbraw/zinc/37/26/55/447372655.db2.gz KXPFOVGXAOPKLX-UHFFFAOYSA-N 2 1 339.528 1.184 20 0 EDADMP CC[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000665170417 453599958 /nfs/dbraw/zinc/59/99/58/453599958.db2.gz MRZWFTGHPWBJQI-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP CN(C)Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)ccc1F ZINC000415108820 447389191 /nfs/dbraw/zinc/38/91/91/447389191.db2.gz PEDHZPLNEWULBT-OAHLLOKOSA-N 2 1 336.455 1.174 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000456532938 447408605 /nfs/dbraw/zinc/40/86/05/447408605.db2.gz QJHDGYHGTQJZHE-MRXNPFEDSA-N 2 1 345.491 1.390 20 0 EDADMP CCN(CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)Cc1ccoc1 ZINC000102408462 441168870 /nfs/dbraw/zinc/16/88/70/441168870.db2.gz PFBMCVNUOOHGQQ-QGZVFWFLSA-N 2 1 337.464 1.575 20 0 EDADMP CCN(CC(=O)NC[C@@H]1CN(CC(C)C)CCO1)Cc1ccoc1 ZINC000102408462 441168873 /nfs/dbraw/zinc/16/88/73/441168873.db2.gz PFBMCVNUOOHGQQ-QGZVFWFLSA-N 2 1 337.464 1.575 20 0 EDADMP C[C@H](C(=O)N1CC[NH+]([C@H]2CCSC2)CC1)[NH+]1CCCCCC1 ZINC000080596501 441181983 /nfs/dbraw/zinc/18/19/83/441181983.db2.gz IFLQGORKJWBQSI-CVEARBPZSA-N 2 1 325.522 1.901 20 0 EDADMP COCC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000081156154 441236422 /nfs/dbraw/zinc/23/64/22/441236422.db2.gz NVNWFCVLCIYSLV-UHFFFAOYSA-N 2 1 333.476 1.593 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000047683584 441219526 /nfs/dbraw/zinc/21/95/26/441219526.db2.gz GAJOTRXFYOIWAC-KRWDZBQOSA-N 2 1 342.528 1.761 20 0 EDADMP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000081281945 441248186 /nfs/dbraw/zinc/24/81/86/441248186.db2.gz ZRQXKZARDBVMBW-SFHVURJKSA-N 2 1 344.503 1.575 20 0 EDADMP COC1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000073648314 441338724 /nfs/dbraw/zinc/33/87/24/441338724.db2.gz VTNGQXPAEUPNPF-AEFFLSMTSA-N 2 1 345.487 1.876 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000108541121 441461284 /nfs/dbraw/zinc/46/12/84/441461284.db2.gz BIASYLBSYWYETI-RTBURBONSA-N 2 1 344.503 1.943 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000108546313 441463168 /nfs/dbraw/zinc/46/31/68/441463168.db2.gz QRPVVEZBQLDNRC-XHSDSOJGSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000108546313 441463171 /nfs/dbraw/zinc/46/31/71/441463171.db2.gz QRPVVEZBQLDNRC-XHSDSOJGSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000108546313 441463176 /nfs/dbraw/zinc/46/31/76/441463176.db2.gz QRPVVEZBQLDNRC-XHSDSOJGSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000108546313 441463179 /nfs/dbraw/zinc/46/31/79/441463179.db2.gz QRPVVEZBQLDNRC-XHSDSOJGSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458658938 447441203 /nfs/dbraw/zinc/44/12/03/447441203.db2.gz ONGVXVILRXWGAY-IRXDYDNUSA-N 2 1 340.512 1.397 20 0 EDADMP C[NH+]1CCN(CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000076410924 441642540 /nfs/dbraw/zinc/64/25/40/441642540.db2.gz DQFAAAYGSQZCOW-UHFFFAOYSA-N 2 1 348.466 1.154 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000136646319 441711830 /nfs/dbraw/zinc/71/18/30/441711830.db2.gz BBVVWYQQMUCQGT-UHFFFAOYSA-N 2 1 343.475 1.848 20 0 EDADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000136923833 441732479 /nfs/dbraw/zinc/73/24/79/441732479.db2.gz WKBAHBCHNSASRQ-LPHOPBHVSA-N 2 1 345.487 1.906 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000139603493 441821913 /nfs/dbraw/zinc/82/19/13/441821913.db2.gz KJMNWDLIKLQFTQ-SFHVURJKSA-N 2 1 345.491 1.202 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000139603493 441821918 /nfs/dbraw/zinc/82/19/18/441821918.db2.gz KJMNWDLIKLQFTQ-SFHVURJKSA-N 2 1 345.491 1.202 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000139463995 441816661 /nfs/dbraw/zinc/81/66/61/441816661.db2.gz MHQOINRPGUSIRN-SFHVURJKSA-N 2 1 330.476 1.651 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000139463995 441816665 /nfs/dbraw/zinc/81/66/65/441816665.db2.gz MHQOINRPGUSIRN-SFHVURJKSA-N 2 1 330.476 1.651 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCCc1nccn1Cc1ccccc1 ZINC000139504784 441818813 /nfs/dbraw/zinc/81/88/13/441818813.db2.gz PXSOEOAFAZEXJX-QGZVFWFLSA-N 2 1 341.459 1.867 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CN1CC[NH+](C)CC1 ZINC000077638357 441819852 /nfs/dbraw/zinc/81/98/52/441819852.db2.gz KPMNDXMXTVFLPE-SFHVURJKSA-N 2 1 344.503 1.357 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CN1CC[NH+](C)CC1 ZINC000077638357 441819862 /nfs/dbraw/zinc/81/98/62/441819862.db2.gz KPMNDXMXTVFLPE-SFHVURJKSA-N 2 1 344.503 1.357 20 0 EDADMP C[C@@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)[NH+]1CCCCCC1 ZINC000173642400 441812323 /nfs/dbraw/zinc/81/23/23/441812323.db2.gz LITNZQZAHRVPGT-KRWDZBQOSA-N 2 1 338.540 1.641 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000077775215 441857804 /nfs/dbraw/zinc/85/78/04/441857804.db2.gz ZSQBKVVPJWGHED-INIZCTEOSA-N 2 1 340.512 1.397 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000077745445 441845696 /nfs/dbraw/zinc/84/56/96/441845696.db2.gz HLWDBQRTFUYYNO-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000077775243 441857079 /nfs/dbraw/zinc/85/70/79/441857079.db2.gz ADDVVJVLOKSZFD-INIZCTEOSA-N 2 1 340.512 1.254 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000077982614 441891742 /nfs/dbraw/zinc/89/17/42/441891742.db2.gz HSQOQAZKXSTXOS-YJBOKZPZSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000077982614 441891749 /nfs/dbraw/zinc/89/17/49/441891749.db2.gz HSQOQAZKXSTXOS-YJBOKZPZSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000077982614 441891757 /nfs/dbraw/zinc/89/17/57/441891757.db2.gz HSQOQAZKXSTXOS-YJBOKZPZSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000077982614 441891761 /nfs/dbraw/zinc/89/17/61/441891761.db2.gz HSQOQAZKXSTXOS-YJBOKZPZSA-N 2 1 328.460 1.647 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000124800001 441953326 /nfs/dbraw/zinc/95/33/26/441953326.db2.gz DPBUPHBRIBDFFM-AEFFLSMTSA-N 2 1 332.492 1.654 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175230652 442023670 /nfs/dbraw/zinc/02/36/70/442023670.db2.gz XMGCHXNFXLZVEX-IYBDPMFKSA-N 2 1 328.501 1.517 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175230652 442023678 /nfs/dbraw/zinc/02/36/78/442023678.db2.gz XMGCHXNFXLZVEX-IYBDPMFKSA-N 2 1 328.501 1.517 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175230652 442023682 /nfs/dbraw/zinc/02/36/82/442023682.db2.gz XMGCHXNFXLZVEX-IYBDPMFKSA-N 2 1 328.501 1.517 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC000161822658 442035828 /nfs/dbraw/zinc/03/58/28/442035828.db2.gz UYLJTDRPPALWOL-UHFFFAOYSA-N 2 1 340.512 1.210 20 0 EDADMP Cn1cc[nH+]c1CC1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000161842577 442036863 /nfs/dbraw/zinc/03/68/63/442036863.db2.gz BHKZYTAVCXKIND-OAHLLOKOSA-N 2 1 336.505 1.639 20 0 EDADMP Cn1cc[nH+]c1CC1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000161842577 442036869 /nfs/dbraw/zinc/03/68/69/442036869.db2.gz BHKZYTAVCXKIND-OAHLLOKOSA-N 2 1 336.505 1.639 20 0 EDADMP C[C@H]1C[NH+](Cc2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000126118181 442079980 /nfs/dbraw/zinc/07/99/80/442079980.db2.gz FPAQXISIMOTHPC-JYJNAYRXSA-N 2 1 331.460 1.730 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[N@@H+]1C1CC1 ZINC000151806854 442123709 /nfs/dbraw/zinc/12/37/09/442123709.db2.gz FWFSIXSBALXVAQ-MLGOLLRUSA-N 2 1 342.443 1.312 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[N@H+]1C1CC1 ZINC000151806854 442123715 /nfs/dbraw/zinc/12/37/15/442123715.db2.gz FWFSIXSBALXVAQ-MLGOLLRUSA-N 2 1 342.443 1.312 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C[NH+]1C1CC1 ZINC000151806854 442123722 /nfs/dbraw/zinc/12/37/22/442123722.db2.gz FWFSIXSBALXVAQ-MLGOLLRUSA-N 2 1 342.443 1.312 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C[NH+]1C1CC1 ZINC000151806854 442123726 /nfs/dbraw/zinc/12/37/26/442123726.db2.gz FWFSIXSBALXVAQ-MLGOLLRUSA-N 2 1 342.443 1.312 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000120860763 442143122 /nfs/dbraw/zinc/14/31/22/442143122.db2.gz NTOXHNAIQNIBHN-HUUCEWRRSA-N 2 1 336.484 1.639 20 0 EDADMP CSCC[C@H](C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000126394180 442107579 /nfs/dbraw/zinc/10/75/79/442107579.db2.gz XZAKPGSTGJXKOI-HOTGVXAUSA-N 2 1 345.553 1.533 20 0 EDADMP CSCC[C@H](C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000126394180 442107585 /nfs/dbraw/zinc/10/75/85/442107585.db2.gz XZAKPGSTGJXKOI-HOTGVXAUSA-N 2 1 345.553 1.533 20 0 EDADMP CSCC[C@H](C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000126394180 442107592 /nfs/dbraw/zinc/10/75/92/442107592.db2.gz XZAKPGSTGJXKOI-HOTGVXAUSA-N 2 1 345.553 1.533 20 0 EDADMP CCC[N@@H+]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000163519042 442171382 /nfs/dbraw/zinc/17/13/82/442171382.db2.gz BNDXEUYCRCVIQH-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000163519042 442171384 /nfs/dbraw/zinc/17/13/84/442171384.db2.gz BNDXEUYCRCVIQH-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000176087607 442174193 /nfs/dbraw/zinc/17/41/93/442174193.db2.gz MBNQLSFOYVXSDF-HNNXBMFYSA-N 2 1 332.448 1.063 20 0 EDADMP C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000121081025 442175123 /nfs/dbraw/zinc/17/51/23/442175123.db2.gz OZBBZWBIDUWTOD-JCGIZDLHSA-N 2 1 331.460 1.651 20 0 EDADMP C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000152286465 442192981 /nfs/dbraw/zinc/19/29/81/442192981.db2.gz LQZKQMJWOSNIRR-UXLLHSPISA-N 2 1 325.497 1.578 20 0 EDADMP C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000152286465 442192985 /nfs/dbraw/zinc/19/29/85/442192985.db2.gz LQZKQMJWOSNIRR-UXLLHSPISA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000176341843 442212262 /nfs/dbraw/zinc/21/22/62/442212262.db2.gz RZZMMAFTLQCGKZ-QGZVFWFLSA-N 2 1 325.497 1.583 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000176341843 442212266 /nfs/dbraw/zinc/21/22/66/442212266.db2.gz RZZMMAFTLQCGKZ-QGZVFWFLSA-N 2 1 325.497 1.583 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000152514625 442221482 /nfs/dbraw/zinc/22/14/82/442221482.db2.gz UANJUZVOGAHNGA-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000152514625 442221484 /nfs/dbraw/zinc/22/14/84/442221484.db2.gz UANJUZVOGAHNGA-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000152514625 442221488 /nfs/dbraw/zinc/22/14/88/442221488.db2.gz UANJUZVOGAHNGA-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000152514625 442221490 /nfs/dbraw/zinc/22/14/90/442221490.db2.gz UANJUZVOGAHNGA-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000170828111 442270372 /nfs/dbraw/zinc/27/03/72/442270372.db2.gz WIDODSRRBJCYEH-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1C ZINC000153069975 442259563 /nfs/dbraw/zinc/25/95/63/442259563.db2.gz YODBPERFRXYYND-UONOGXRCSA-N 2 1 326.462 1.541 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1C ZINC000153069975 442259566 /nfs/dbraw/zinc/25/95/66/442259566.db2.gz YODBPERFRXYYND-UONOGXRCSA-N 2 1 326.462 1.541 20 0 EDADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129244042 442307697 /nfs/dbraw/zinc/30/76/97/442307697.db2.gz DTMCUBLHLMFPIW-KZNAEPCWSA-N 2 1 337.508 1.678 20 0 EDADMP CC[N@H+](CCNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000155760957 442424704 /nfs/dbraw/zinc/42/47/04/442424704.db2.gz KFBZBMDAZLQKFJ-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@@H+](CCNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000155760957 442424708 /nfs/dbraw/zinc/42/47/08/442424708.db2.gz KFBZBMDAZLQKFJ-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+](CCNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000155760957 442424711 /nfs/dbraw/zinc/42/47/11/442424711.db2.gz KFBZBMDAZLQKFJ-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+](CCNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000155760957 442424714 /nfs/dbraw/zinc/42/47/14/442424714.db2.gz KFBZBMDAZLQKFJ-LJQANCHMSA-N 2 1 345.487 1.878 20 0 EDADMP CN(C)[C@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccco1 ZINC000133555503 442423891 /nfs/dbraw/zinc/42/38/91/442423891.db2.gz RIWLCDQIFXMEPT-MRXNPFEDSA-N 2 1 344.463 1.214 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178667503 442454305 /nfs/dbraw/zinc/45/43/05/442454305.db2.gz RTWXIZGLSHKNRX-HKUYNNGSSA-N 2 1 349.519 1.964 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178667503 442454309 /nfs/dbraw/zinc/45/43/09/442454309.db2.gz RTWXIZGLSHKNRX-HKUYNNGSSA-N 2 1 349.519 1.964 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000178749838 442474204 /nfs/dbraw/zinc/47/42/04/442474204.db2.gz WESSNVVKNAVRHR-KRWDZBQOSA-N 2 1 336.524 1.489 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000157028333 442542872 /nfs/dbraw/zinc/54/28/72/442542872.db2.gz HSAHSLLLHRWECN-NVXWUHKLSA-N 2 1 337.464 1.792 20 0 EDADMP OCC[N@H+](Cc1cnn(Cc2ccccc2)c1)CC1CC[NH2+]CC1 ZINC000178981258 442544060 /nfs/dbraw/zinc/54/40/60/442544060.db2.gz ZPVKXHRMJKSTPY-UHFFFAOYSA-N 2 1 328.460 1.725 20 0 EDADMP COC(=O)C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000179153761 442584770 /nfs/dbraw/zinc/58/47/70/442584770.db2.gz XYKBDIRWGPOCJK-OAHLLOKOSA-N 2 1 325.453 1.003 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NCC(=O)Nc2cc(C)no2)[C@H](C)C1 ZINC000187012477 442645062 /nfs/dbraw/zinc/64/50/62/442645062.db2.gz CDMSTFPIYOCQLH-HIFRSBDPSA-N 2 1 338.452 1.648 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)NCC(C)C)[C@H](C)C1 ZINC000187019155 442646255 /nfs/dbraw/zinc/64/62/55/442646255.db2.gz QNAJCTQPGGAMRI-IXDOHACOSA-N 2 1 327.513 1.874 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)NCC(C)C)[C@H](C)C1 ZINC000187019155 442646258 /nfs/dbraw/zinc/64/62/58/442646258.db2.gz QNAJCTQPGGAMRI-IXDOHACOSA-N 2 1 327.513 1.874 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000173176350 442618096 /nfs/dbraw/zinc/61/80/96/442618096.db2.gz ALYGOZZBCJRJQR-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000187398523 442674237 /nfs/dbraw/zinc/67/42/37/442674237.db2.gz PDUPPLUWXNWJSQ-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000187398523 442674240 /nfs/dbraw/zinc/67/42/40/442674240.db2.gz PDUPPLUWXNWJSQ-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[NH+]2CCC[C@H](C)C2)CC[N@H+]1CC(C)(C)O ZINC000187398523 442674242 /nfs/dbraw/zinc/67/42/42/442674242.db2.gz PDUPPLUWXNWJSQ-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP CCCCCNC(=O)[C@H](C)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180944805 442670883 /nfs/dbraw/zinc/67/08/83/442670883.db2.gz IQICVFQTEQXMII-INIZCTEOSA-N 2 1 326.529 1.639 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193046168 442707984 /nfs/dbraw/zinc/70/79/84/442707984.db2.gz KFCOXKVOIOKJAQ-IYBDPMFKSA-N 2 1 328.501 1.517 20 0 EDADMP COc1ccccc1CCCN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000182565212 442788352 /nfs/dbraw/zinc/78/83/52/442788352.db2.gz QPQSTIJEKXGFFK-GOSISDBHSA-N 2 1 345.487 1.866 20 0 EDADMP COc1ccc([C@H](CNC(=O)N2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000265502022 442799045 /nfs/dbraw/zinc/79/90/45/442799045.db2.gz FRFITFNPYIQBLP-SFHVURJKSA-N 2 1 346.475 1.789 20 0 EDADMP C[C@H]1C[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC000188783133 442812168 /nfs/dbraw/zinc/81/21/68/442812168.db2.gz HATYWSPOCDPSQT-ZFWWWQNUSA-N 2 1 339.443 1.448 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)[nH+]c1 ZINC000268168298 442881460 /nfs/dbraw/zinc/88/14/60/442881460.db2.gz ZFVQBQOUIKSIJK-GOEBONIOSA-N 2 1 331.464 1.974 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)[nH+]c1 ZINC000268168298 442881465 /nfs/dbraw/zinc/88/14/65/442881465.db2.gz ZFVQBQOUIKSIJK-GOEBONIOSA-N 2 1 331.464 1.974 20 0 EDADMP OCC1(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000183154649 442890810 /nfs/dbraw/zinc/89/08/10/442890810.db2.gz KREKNQSFSPUVIG-OTWHNJEPSA-N 2 1 330.472 1.886 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000248691797 442919065 /nfs/dbraw/zinc/91/90/65/442919065.db2.gz YAAJIOCSAXMJMK-YVSFHVDLSA-N 2 1 340.512 1.203 20 0 EDADMP C[NH+](C)CCC1CC[NH+](Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000183013757 318517181 /nfs/dbraw/zinc/51/71/81/318517181.db2.gz WHYOPIISCUQJAN-UHFFFAOYSA-N 2 1 328.464 1.885 20 0 EDADMP CCOC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCC[C@H](COCC)C2)C1 ZINC000248739548 442923063 /nfs/dbraw/zinc/92/30/63/442923063.db2.gz OTOGWWLTMNESKB-REPLKXPHSA-N 2 1 342.524 1.844 20 0 EDADMP C[C@@H]1COC[C@@H](C)N1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265889946 442959123 /nfs/dbraw/zinc/95/91/23/442959123.db2.gz RARGVONAQAOYDV-IAGOWNOFSA-N 2 1 331.460 1.440 20 0 EDADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265898878 442962573 /nfs/dbraw/zinc/96/25/73/442962573.db2.gz MZLMMWSHWOEUSB-OALUTQOASA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265898878 442962579 /nfs/dbraw/zinc/96/25/79/442962579.db2.gz MZLMMWSHWOEUSB-OALUTQOASA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265898878 442962583 /nfs/dbraw/zinc/96/25/83/442962583.db2.gz MZLMMWSHWOEUSB-OALUTQOASA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265898878 442962588 /nfs/dbraw/zinc/96/25/88/442962588.db2.gz MZLMMWSHWOEUSB-OALUTQOASA-N 2 1 345.487 1.688 20 0 EDADMP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000268376486 442967576 /nfs/dbraw/zinc/96/75/76/442967576.db2.gz SYMRMLSDICJVHI-LPHOPBHVSA-N 2 1 344.503 1.927 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265924957 442971440 /nfs/dbraw/zinc/97/14/40/442971440.db2.gz WATHBZSSGMBMPV-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265924957 442971444 /nfs/dbraw/zinc/97/14/44/442971444.db2.gz WATHBZSSGMBMPV-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195007375 442975146 /nfs/dbraw/zinc/97/51/46/442975146.db2.gz BBLVUJSIBKROKZ-IYBDPMFKSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195007375 442975149 /nfs/dbraw/zinc/97/51/49/442975149.db2.gz BBLVUJSIBKROKZ-IYBDPMFKSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195007375 442975152 /nfs/dbraw/zinc/97/51/52/442975152.db2.gz BBLVUJSIBKROKZ-IYBDPMFKSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195007375 442975155 /nfs/dbraw/zinc/97/51/55/442975155.db2.gz BBLVUJSIBKROKZ-IYBDPMFKSA-N 2 1 328.501 1.469 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000195125118 442984913 /nfs/dbraw/zinc/98/49/13/442984913.db2.gz LXQOAYVVUROTNS-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000195125118 442984917 /nfs/dbraw/zinc/98/49/17/442984917.db2.gz LXQOAYVVUROTNS-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@H]1O ZINC000249585760 442991440 /nfs/dbraw/zinc/99/14/40/442991440.db2.gz SXSBGXFAIDQHQB-QFBILLFUSA-N 2 1 345.487 1.601 20 0 EDADMP C[C@H]1CCC[C@H](CO)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184605639 443048552 /nfs/dbraw/zinc/04/85/52/443048552.db2.gz UBISBUVKBVUFTN-JQHSSLGASA-N 2 1 333.476 1.641 20 0 EDADMP COC[C@H]1C[N@@H+](CCCC[NH+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000251888267 443019594 /nfs/dbraw/zinc/01/95/94/443019594.db2.gz QCOFOXJYXGNCKA-FZDBZEDMSA-N 2 1 344.496 1.238 20 0 EDADMP COC[C@H]1C[NH+](CCCC[N@@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000251888267 443019598 /nfs/dbraw/zinc/01/95/98/443019598.db2.gz QCOFOXJYXGNCKA-FZDBZEDMSA-N 2 1 344.496 1.238 20 0 EDADMP Cc1nc2ccccc2n1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000195239695 443000824 /nfs/dbraw/zinc/00/08/24/443000824.db2.gz ZRFLWBOGXMDGHA-INIZCTEOSA-N 2 1 344.459 1.818 20 0 EDADMP Cc1nc2ccccc2n1CC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000195239695 443000828 /nfs/dbraw/zinc/00/08/28/443000828.db2.gz ZRFLWBOGXMDGHA-INIZCTEOSA-N 2 1 344.459 1.818 20 0 EDADMP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000249751741 443002791 /nfs/dbraw/zinc/00/27/91/443002791.db2.gz DGYBVSLBAUTMCT-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000249751741 443002797 /nfs/dbraw/zinc/00/27/97/443002797.db2.gz DGYBVSLBAUTMCT-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP COc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1S(C)(=O)=O ZINC000268786257 443107914 /nfs/dbraw/zinc/10/79/14/443107914.db2.gz DYGBCJNTRXYEKA-LBPRGKRZSA-N 2 1 337.445 1.954 20 0 EDADMP C[N@H+]1CCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261719722 443165666 /nfs/dbraw/zinc/16/56/66/443165666.db2.gz GTVFEYGAEAWIFF-HNNXBMFYSA-N 2 1 340.265 1.787 20 0 EDADMP C[NH2+]CCCC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237182672 443162307 /nfs/dbraw/zinc/16/23/07/443162307.db2.gz YELHFMBNQULDTA-IYBDPMFKSA-N 2 1 333.476 1.912 20 0 EDADMP C[NH2+]CCCC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237182672 443162310 /nfs/dbraw/zinc/16/23/10/443162310.db2.gz YELHFMBNQULDTA-IYBDPMFKSA-N 2 1 333.476 1.912 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000262656740 443206417 /nfs/dbraw/zinc/20/64/17/443206417.db2.gz VAQNBPWWGMCBMU-KURKYZTESA-N 2 1 338.540 1.402 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000262734487 443208924 /nfs/dbraw/zinc/20/89/24/443208924.db2.gz CELYPPPZYSOQCQ-ZNMIVQPWSA-N 2 1 327.538 1.954 20 0 EDADMP CCC[N@H+]1CCC[C@H]1c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000350935206 319080271 /nfs/dbraw/zinc/08/02/71/319080271.db2.gz VVFDELZCCDTISZ-HNNXBMFYSA-N 2 1 349.479 1.712 20 0 EDADMP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397032399 319133550 /nfs/dbraw/zinc/13/35/50/319133550.db2.gz LZQKWTPJNZUFDW-UHFFFAOYSA-N 2 1 331.869 1.146 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000412680178 319239491 /nfs/dbraw/zinc/23/94/91/319239491.db2.gz YOGOVESIDBPANB-GUDVDZBRSA-N 2 1 345.487 1.734 20 0 EDADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000412680178 319239493 /nfs/dbraw/zinc/23/94/93/319239493.db2.gz YOGOVESIDBPANB-GUDVDZBRSA-N 2 1 345.487 1.734 20 0 EDADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000412680178 319239495 /nfs/dbraw/zinc/23/94/95/319239495.db2.gz YOGOVESIDBPANB-GUDVDZBRSA-N 2 1 345.487 1.734 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000415087890 319347029 /nfs/dbraw/zinc/34/70/29/319347029.db2.gz LFBWXEUKBMFZGU-QZTJIDSGSA-N 2 1 330.476 1.226 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cn2cc[nH+]c12 ZINC000415837838 319376721 /nfs/dbraw/zinc/37/67/21/319376721.db2.gz CUUQBJRRBIWVPU-YPMHNXCESA-N 2 1 329.404 1.025 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415958768 319385146 /nfs/dbraw/zinc/38/51/46/319385146.db2.gz XNZYGVPCMDECEI-CQSZACIVSA-N 2 1 349.483 1.128 20 0 EDADMP CCN(C)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cn1 ZINC000191330830 443279426 /nfs/dbraw/zinc/27/94/26/443279426.db2.gz BBVSJIAWSROXLU-SFHVURJKSA-N 2 1 331.508 1.750 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)CC1 ZINC000191494172 443303711 /nfs/dbraw/zinc/30/37/11/443303711.db2.gz BTZVAWPOPHETBV-INIZCTEOSA-N 2 1 345.553 1.300 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)CC1 ZINC000191494172 443303715 /nfs/dbraw/zinc/30/37/15/443303715.db2.gz BTZVAWPOPHETBV-INIZCTEOSA-N 2 1 345.553 1.300 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000416938240 319479224 /nfs/dbraw/zinc/47/92/24/319479224.db2.gz KQRBXUDDQRYHCH-JKSUJKDBSA-N 2 1 328.501 1.358 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000264586326 443335968 /nfs/dbraw/zinc/33/59/68/443335968.db2.gz VIMXCJIMIFDNRG-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000264586326 443335970 /nfs/dbraw/zinc/33/59/70/443335970.db2.gz VIMXCJIMIFDNRG-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000264586326 443335973 /nfs/dbraw/zinc/33/59/73/443335973.db2.gz VIMXCJIMIFDNRG-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000418587124 319506892 /nfs/dbraw/zinc/50/68/92/319506892.db2.gz GFVRNMSTJARJNO-HOCLYGCPSA-N 2 1 336.505 1.616 20 0 EDADMP C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000272517680 443347538 /nfs/dbraw/zinc/34/75/38/443347538.db2.gz KPUKKXRAOWUKRM-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000272517680 443347540 /nfs/dbraw/zinc/34/75/40/443347540.db2.gz KPUKKXRAOWUKRM-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000267182880 443369861 /nfs/dbraw/zinc/36/98/61/443369861.db2.gz QCMUTKNDQMJSTK-OAHLLOKOSA-N 2 1 345.447 1.159 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCc2ncc[nH]2)c1 ZINC000270016105 443457449 /nfs/dbraw/zinc/45/74/49/443457449.db2.gz DBDUEULDPASVPJ-CQSZACIVSA-N 2 1 342.403 1.181 20 0 EDADMP C[C@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)[NH+]1CCc2ccccc2C1 ZINC000272118171 443532014 /nfs/dbraw/zinc/53/20/14/443532014.db2.gz SGHJFHQLHTYAPK-MRXNPFEDSA-N 2 1 342.487 1.994 20 0 EDADMP C[C@H](CNC(=O)NCC1=CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000272118171 443532017 /nfs/dbraw/zinc/53/20/17/443532017.db2.gz SGHJFHQLHTYAPK-MRXNPFEDSA-N 2 1 342.487 1.994 20 0 EDADMP C[C@H](CNC(=O)NCC1=CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000272118171 443532020 /nfs/dbraw/zinc/53/20/20/443532020.db2.gz SGHJFHQLHTYAPK-MRXNPFEDSA-N 2 1 342.487 1.994 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000283259784 443580170 /nfs/dbraw/zinc/58/01/70/443580170.db2.gz CDAWZVXXHLKRFN-SFHVURJKSA-N 3 1 343.475 1.822 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2cncn2c1 ZINC000283259784 443580173 /nfs/dbraw/zinc/58/01/73/443580173.db2.gz CDAWZVXXHLKRFN-SFHVURJKSA-N 2 1 343.475 1.822 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2cncn2c1 ZINC000283259784 443580176 /nfs/dbraw/zinc/58/01/76/443580176.db2.gz CDAWZVXXHLKRFN-SFHVURJKSA-N 2 1 343.475 1.822 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](O)C1 ZINC000265151893 443551317 /nfs/dbraw/zinc/55/13/17/443551317.db2.gz ORPPCJSMXZUWGY-CRAIPNDOSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000272329902 443593563 /nfs/dbraw/zinc/59/35/63/443593563.db2.gz VMOVUNHGALTSRL-MAUKXSAKSA-N 2 1 330.476 1.243 20 0 EDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000430579790 319935656 /nfs/dbraw/zinc/93/56/56/319935656.db2.gz KTEVQPBLMUMXAZ-INIZCTEOSA-N 2 1 328.478 1.822 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000440272589 320068114 /nfs/dbraw/zinc/06/81/14/320068114.db2.gz UKNPRQYZQRNPCQ-SFHVURJKSA-N 2 1 335.492 1.717 20 0 EDADMP c1cn(CC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000286202811 443667561 /nfs/dbraw/zinc/66/75/61/443667561.db2.gz XYRHWYONMBFLEM-FQEVSTJZSA-N 2 1 339.487 1.775 20 0 EDADMP c1cn(CC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000286202811 443667563 /nfs/dbraw/zinc/66/75/63/443667563.db2.gz XYRHWYONMBFLEM-FQEVSTJZSA-N 2 1 339.487 1.775 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2c(Cl)cccc2-n2ccnc2)C1 ZINC000452207996 320245525 /nfs/dbraw/zinc/24/55/25/320245525.db2.gz OILVQMOCDORSNW-MRXNPFEDSA-N 2 1 348.834 1.863 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452389915 320249020 /nfs/dbraw/zinc/24/90/20/320249020.db2.gz NBVXURYSIGSCJN-INIZCTEOSA-N 2 1 349.475 1.204 20 0 EDADMP C[C@@H](CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)[NH+](C)C ZINC000454322513 320286068 /nfs/dbraw/zinc/28/60/68/320286068.db2.gz OLVAAURIPRARKP-XJKSGUPXSA-N 2 1 347.463 1.208 20 0 EDADMP C[C@@H](CNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)[NH+](C)C ZINC000454322513 320286069 /nfs/dbraw/zinc/28/60/69/320286069.db2.gz OLVAAURIPRARKP-XJKSGUPXSA-N 2 1 347.463 1.208 20 0 EDADMP CC(C)(CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1CCCCC1 ZINC000457471036 320327168 /nfs/dbraw/zinc/32/71/68/320327168.db2.gz WBZUKWFCOPHUGY-MRXNPFEDSA-N 2 1 340.512 1.397 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)Cc1ccccc1 ZINC000457491842 320328016 /nfs/dbraw/zinc/32/80/16/320328016.db2.gz VZVJKKVIQSZAGN-OKZBNKHCSA-N 2 1 330.476 1.505 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000457607588 320330769 /nfs/dbraw/zinc/33/07/69/320330769.db2.gz SBPUQTZQYAMCEA-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000457613656 320331163 /nfs/dbraw/zinc/33/11/63/320331163.db2.gz WDWRECRNTVABGB-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000457613656 320331164 /nfs/dbraw/zinc/33/11/64/320331164.db2.gz WDWRECRNTVABGB-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCC[C@@H](C)C1 ZINC000457724545 320333471 /nfs/dbraw/zinc/33/34/71/320333471.db2.gz YTUCKYIFEXHHDK-ZACQAIPSSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000457724545 320333472 /nfs/dbraw/zinc/33/34/72/320333472.db2.gz YTUCKYIFEXHHDK-ZACQAIPSSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000457724545 320333473 /nfs/dbraw/zinc/33/34/73/320333473.db2.gz YTUCKYIFEXHHDK-ZACQAIPSSA-N 2 1 340.512 1.253 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)CCC(F)(F)F ZINC000458708746 320338857 /nfs/dbraw/zinc/33/88/57/320338857.db2.gz HXAJZLIDDHMLAR-QWHCGFSZSA-N 2 1 336.402 1.606 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C\c2cncc(O)c2)CC1 ZINC000492400465 320378038 /nfs/dbraw/zinc/37/80/38/320378038.db2.gz RJFCAIBDKJHPAT-IHWYPQMZSA-N 2 1 339.399 1.586 20 0 EDADMP C[C@H](NC(=O)/C=C\C[NH+](C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000493658335 320396618 /nfs/dbraw/zinc/39/66/18/320396618.db2.gz RYCVAGIGTRBWMN-BMCSGZOBSA-N 2 1 331.460 1.510 20 0 EDADMP C[C@H](NC(=O)/C=C\C[NH+](C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000493658335 320396619 /nfs/dbraw/zinc/39/66/19/320396619.db2.gz RYCVAGIGTRBWMN-BMCSGZOBSA-N 2 1 331.460 1.510 20 0 EDADMP COC(=O)c1ccccc1N(C)C(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000519703963 320471545 /nfs/dbraw/zinc/47/15/45/320471545.db2.gz LNNHIRQNOPYMSS-UHFFFAOYSA-N 2 1 333.432 1.497 20 0 EDADMP C[N@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000298264694 443733205 /nfs/dbraw/zinc/73/32/05/443733205.db2.gz BWWNRYBXSKVKNL-UHFFFAOYSA-N 2 1 330.476 1.998 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000288173819 443793243 /nfs/dbraw/zinc/79/32/43/443793243.db2.gz PSAYAWYWUHWXRS-AYBZRNKSSA-N 2 1 348.491 1.261 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000529353860 320576653 /nfs/dbraw/zinc/57/66/53/320576653.db2.gz BNWUNBCSRHPXKX-GOSISDBHSA-N 2 1 342.487 1.841 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@]2(CC[NH+](C)C2)C1)Cc1ccc(F)cc1 ZINC000292819848 443850606 /nfs/dbraw/zinc/85/06/06/443850606.db2.gz APZLRYLRRBOQLQ-LJQANCHMSA-N 2 1 348.466 1.995 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)Cc1ccc(F)cc1 ZINC000292819848 443850610 /nfs/dbraw/zinc/85/06/10/443850610.db2.gz APZLRYLRRBOQLQ-LJQANCHMSA-N 2 1 348.466 1.995 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)Cc1ccc(F)cc1 ZINC000292819848 443850614 /nfs/dbraw/zinc/85/06/14/443850614.db2.gz APZLRYLRRBOQLQ-LJQANCHMSA-N 2 1 348.466 1.995 20 0 EDADMP CCn1cc(CC[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccn2C)cn1 ZINC000285247390 443911568 /nfs/dbraw/zinc/91/15/68/443911568.db2.gz YVCFZOCZCDVJEE-IRXDYDNUSA-N 2 1 348.470 1.723 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000285350764 443951899 /nfs/dbraw/zinc/95/18/99/443951899.db2.gz XBIUWXRMHBOJTA-RHSMWYFYSA-N 2 1 328.420 1.019 20 0 EDADMP CC(C)NC(=O)CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285357782 443954824 /nfs/dbraw/zinc/95/48/24/443954824.db2.gz DXYGXULYGLUTPF-UHFFFAOYSA-N 2 1 346.519 1.651 20 0 EDADMP COc1cccc(COC[C@H](O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277305739 443958720 /nfs/dbraw/zinc/95/87/20/443958720.db2.gz ULALJJSNMFPNQV-ZWKOTPCHSA-N 2 1 336.476 1.989 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H](O)c3ccc(F)cc3)cn2)CC1 ZINC000277733089 444035538 /nfs/dbraw/zinc/03/55/38/444035538.db2.gz OWDPTYJHSDYKKH-QGZVFWFLSA-N 2 1 345.422 1.191 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000557139995 321000347 /nfs/dbraw/zinc/00/03/47/321000347.db2.gz XFTXRXFNDXNKON-CVEARBPZSA-N 2 1 330.476 1.814 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC[N@H+]1CCOC ZINC000562817426 321078677 /nfs/dbraw/zinc/07/86/77/321078677.db2.gz QTEFNTDLIYTUMJ-OAGGEKHMSA-N 2 1 326.485 1.127 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000299579874 444085034 /nfs/dbraw/zinc/08/50/34/444085034.db2.gz UYPHNBXDIFTKDW-SFHVURJKSA-N 2 1 330.476 1.144 20 0 EDADMP C[C@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[NH+]1CC(C)C1 ZINC000564665261 321140298 /nfs/dbraw/zinc/14/02/98/321140298.db2.gz HMDDPTKYGKKIKC-FGTMMUONSA-N 2 1 336.524 1.344 20 0 EDADMP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000564957539 321160692 /nfs/dbraw/zinc/16/06/92/321160692.db2.gz URYJXHDBMDFWDU-GBESFXJTSA-N 2 1 342.487 1.798 20 0 EDADMP CN(C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1(C[NH3+])CCC1 ZINC000565038872 321165480 /nfs/dbraw/zinc/16/54/80/321165480.db2.gz MQALZXPLZGSIQT-QGZVFWFLSA-N 2 1 331.460 1.617 20 0 EDADMP CN(C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1(C[NH3+])CCC1 ZINC000565038872 321165481 /nfs/dbraw/zinc/16/54/81/321165481.db2.gz MQALZXPLZGSIQT-QGZVFWFLSA-N 2 1 331.460 1.617 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)COC)CC2)CC1 ZINC000565179035 321173652 /nfs/dbraw/zinc/17/36/52/321173652.db2.gz CUCFDRCNMTUHDU-OAHLLOKOSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@H](c1ccc(NC(=O)N(C)[C@H]2CC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000566056347 321212675 /nfs/dbraw/zinc/21/26/75/321212675.db2.gz RZOOLSJRRRAMEP-PBHICJAKSA-N 2 1 332.448 1.905 20 0 EDADMP [NH3+]CC1(CC(=O)N2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)CC1 ZINC000566796196 321233907 /nfs/dbraw/zinc/23/39/07/321233907.db2.gz NWAGGXWVOYGRRF-UHFFFAOYSA-N 2 1 345.491 1.712 20 0 EDADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000567806490 321258993 /nfs/dbraw/zinc/25/89/93/321258993.db2.gz OHMCTAPKTSSKFX-QAPCUYQASA-N 2 1 346.475 1.249 20 0 EDADMP [NH3+]Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000569966871 321332383 /nfs/dbraw/zinc/33/23/83/321332383.db2.gz IEUMFQZKZPNJRD-QZTJIDSGSA-N 2 1 346.475 1.588 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000289309591 444103803 /nfs/dbraw/zinc/10/38/03/444103803.db2.gz DWRJXXMBVGHGGV-FUHWJXTLSA-N 2 1 340.471 1.962 20 0 EDADMP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289364941 444118910 /nfs/dbraw/zinc/11/89/10/444118910.db2.gz HSRVPCZLLMLYJF-GOSISDBHSA-N 2 1 348.535 1.849 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571081835 321370080 /nfs/dbraw/zinc/37/00/80/321370080.db2.gz HFWQJFQDPNQUGZ-YSHGAJCASA-N 2 1 345.487 1.780 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571081835 321370081 /nfs/dbraw/zinc/37/00/81/321370081.db2.gz HFWQJFQDPNQUGZ-YSHGAJCASA-N 2 1 345.487 1.780 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(C)C[NH2+]C1 ZINC000571557677 321392358 /nfs/dbraw/zinc/39/23/58/321392358.db2.gz BFXYYNHYFWFKCM-UHFFFAOYSA-N 3 1 336.524 1.251 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc(C)cc1=O ZINC000278153693 444108509 /nfs/dbraw/zinc/10/85/09/444108509.db2.gz OPRBNUUGZLNWGB-KRWDZBQOSA-N 2 1 348.491 1.031 20 0 EDADMP Cc1cccc(CC2(O)CCN(C[C@@H](O)C[N@H+](C)C3CC3)CC2)c1 ZINC000289456314 444149309 /nfs/dbraw/zinc/14/93/09/444149309.db2.gz VJRVGFZCQDHRMB-IBGZPJMESA-N 2 1 332.488 1.820 20 0 EDADMP Cc1cccc(CC2(O)CC[NH+](C[C@@H](O)CN(C)C3CC3)CC2)c1 ZINC000289456314 444149311 /nfs/dbraw/zinc/14/93/11/444149311.db2.gz VJRVGFZCQDHRMB-IBGZPJMESA-N 2 1 332.488 1.820 20 0 EDADMP Cc1cccc(CC2(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)c1 ZINC000289456314 444149314 /nfs/dbraw/zinc/14/93/14/444149314.db2.gz VJRVGFZCQDHRMB-IBGZPJMESA-N 2 1 332.488 1.820 20 0 EDADMP Cc1cccc(CC2(O)CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)c1 ZINC000289456314 444149316 /nfs/dbraw/zinc/14/93/16/444149316.db2.gz VJRVGFZCQDHRMB-IBGZPJMESA-N 2 1 332.488 1.820 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000289619347 444181728 /nfs/dbraw/zinc/18/17/28/444181728.db2.gz BAQIPFSIAHSUQP-SJORKVTESA-N 2 1 347.459 1.438 20 0 EDADMP COc1cc(CN(C)CC[N@H+](C)C2CCN(C)CC2)cc2c1OCO2 ZINC000289673474 444188955 /nfs/dbraw/zinc/18/89/55/444188955.db2.gz DNUXRGPQNLZCIU-UHFFFAOYSA-N 2 1 349.475 1.882 20 0 EDADMP COc1cc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc2c1OCO2 ZINC000289673474 444188956 /nfs/dbraw/zinc/18/89/56/444188956.db2.gz DNUXRGPQNLZCIU-UHFFFAOYSA-N 2 1 349.475 1.882 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290342292 444269454 /nfs/dbraw/zinc/26/94/54/444269454.db2.gz IEDUZRWHQNZZKY-NUJGCVRESA-N 2 1 331.435 1.858 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290342292 444269455 /nfs/dbraw/zinc/26/94/55/444269455.db2.gz IEDUZRWHQNZZKY-NUJGCVRESA-N 2 1 331.435 1.858 20 0 EDADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290082273 444239776 /nfs/dbraw/zinc/23/97/76/444239776.db2.gz VDWTUMHJEIEHFB-ICSRJNTNSA-N 2 1 331.504 1.895 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290082273 444239779 /nfs/dbraw/zinc/23/97/79/444239779.db2.gz VDWTUMHJEIEHFB-ICSRJNTNSA-N 2 1 331.504 1.895 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290082273 444239782 /nfs/dbraw/zinc/23/97/82/444239782.db2.gz VDWTUMHJEIEHFB-ICSRJNTNSA-N 2 1 331.504 1.895 20 0 EDADMP O[C@H](COC[C@H]1CCCO1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000304292075 444245576 /nfs/dbraw/zinc/24/55/76/444245576.db2.gz CXZUGTXOOPYXRS-FGTMMUONSA-N 2 1 326.481 1.351 20 0 EDADMP C[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](C)[C@H]2CO)[C@H]1CO ZINC000305737890 444276622 /nfs/dbraw/zinc/27/66/22/444276622.db2.gz QJVVSHPYSRMBIA-FZDBZEDMSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@H](C)[C@H]2CO)[C@H]1CO ZINC000305737890 444276624 /nfs/dbraw/zinc/27/66/24/444276624.db2.gz QJVVSHPYSRMBIA-FZDBZEDMSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@H](C)[C@H]2CO)[C@H]1CO ZINC000305737890 444276626 /nfs/dbraw/zinc/27/66/26/444276626.db2.gz QJVVSHPYSRMBIA-FZDBZEDMSA-N 2 1 328.497 1.189 20 0 EDADMP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309766059 444289783 /nfs/dbraw/zinc/28/97/83/444289783.db2.gz ZLYLOYRPRXKBCK-GJZGRUSLSA-N 2 1 325.403 1.997 20 0 EDADMP C[NH+](C)CC1CCC(NC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000579211351 321899995 /nfs/dbraw/zinc/89/99/95/321899995.db2.gz DFDUGIPBKWOCQJ-VMWRSERWSA-N 2 1 345.491 1.858 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000331236441 444453770 /nfs/dbraw/zinc/45/37/70/444453770.db2.gz HHDZVFUAPSHGLK-HNNXBMFYSA-N 2 1 343.475 1.853 20 0 EDADMP C[C@]1(CN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CC[NH2+]C1 ZINC000340701139 444482783 /nfs/dbraw/zinc/48/27/83/444482783.db2.gz JYCYNKMVYRMULJ-HKUYNNGSSA-N 2 1 333.476 1.044 20 0 EDADMP CC(C)([NH3+])c1nocc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000580962086 322118620 /nfs/dbraw/zinc/11/86/20/322118620.db2.gz MIRHSPDJYFUPCL-IUODEOHRSA-N 2 1 332.448 1.957 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccc(F)cc2)CCCO1 ZINC000581186160 322146290 /nfs/dbraw/zinc/14/62/90/322146290.db2.gz GDIDKTPPZHHHDW-DOTOQJQBSA-N 2 1 340.439 1.656 20 0 EDADMP CC(C)CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000581200280 322148886 /nfs/dbraw/zinc/14/88/86/322148886.db2.gz ONCGLRAGEHDGOR-AEFFLSMTSA-N 2 1 331.460 1.855 20 0 EDADMP CC(C)CCOc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000581200280 322148887 /nfs/dbraw/zinc/14/88/87/322148887.db2.gz ONCGLRAGEHDGOR-AEFFLSMTSA-N 2 1 331.460 1.855 20 0 EDADMP C[C@H]1CCCC[C@H]1OCCNC(=O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581377755 322170612 /nfs/dbraw/zinc/17/06/12/322170612.db2.gz NPQVROWGTFTJMT-JKSUJKDBSA-N 2 1 349.479 1.243 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)N[C@H]3CC[NH2+]C3)CCCCC2)CCO1 ZINC000581381414 322171653 /nfs/dbraw/zinc/17/16/53/322171653.db2.gz DGKQUWAMLLSNJZ-HNNXBMFYSA-N 2 1 338.496 1.461 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)CC2 ZINC000581888883 322229511 /nfs/dbraw/zinc/22/95/11/322229511.db2.gz XTCMRODIVIPHSA-GDBMZVCRSA-N 2 1 334.464 1.371 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000581888883 322229512 /nfs/dbraw/zinc/22/95/12/322229512.db2.gz XTCMRODIVIPHSA-GDBMZVCRSA-N 2 1 334.464 1.371 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000343706395 444533920 /nfs/dbraw/zinc/53/39/20/444533920.db2.gz GWYHOAATYDDXFM-SOLBZPMBSA-N 2 1 342.524 1.984 20 0 EDADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000343706395 444533924 /nfs/dbraw/zinc/53/39/24/444533924.db2.gz GWYHOAATYDDXFM-SOLBZPMBSA-N 2 1 342.524 1.984 20 0 EDADMP CC[NH+]1CCN(CC(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CC1 ZINC000342225479 444574236 /nfs/dbraw/zinc/57/42/36/444574236.db2.gz UMNFTPAHFBAWSN-UHFFFAOYSA-N 2 1 344.503 1.899 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342152733 444537055 /nfs/dbraw/zinc/53/70/55/444537055.db2.gz YOUBRYWPJIJFDG-RRQGHBQHSA-N 2 1 338.473 1.528 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342152733 444537059 /nfs/dbraw/zinc/53/70/59/444537059.db2.gz YOUBRYWPJIJFDG-RRQGHBQHSA-N 2 1 338.473 1.528 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343791381 444594210 /nfs/dbraw/zinc/59/42/10/444594210.db2.gz OMMLEWZREXZCCN-DJSILETISA-N 2 1 335.492 1.285 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000340966502 444603540 /nfs/dbraw/zinc/60/35/40/444603540.db2.gz NLWWCOLHVRFPBG-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000340966502 444603544 /nfs/dbraw/zinc/60/35/44/444603544.db2.gz NLWWCOLHVRFPBG-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000340966502 444603547 /nfs/dbraw/zinc/60/35/47/444603547.db2.gz NLWWCOLHVRFPBG-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000343817648 444608873 /nfs/dbraw/zinc/60/88/73/444608873.db2.gz OHNVXHMRSVPWPL-GOEBONIOSA-N 2 1 326.485 1.269 20 0 EDADMP COc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nn1 ZINC000338296581 444617076 /nfs/dbraw/zinc/61/70/76/444617076.db2.gz OEIAOYWOJQJRFB-UHFFFAOYSA-N 2 1 333.480 1.335 20 0 EDADMP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CCC[NH+]1CCOC)c1ccccc1 ZINC000343835721 444618356 /nfs/dbraw/zinc/61/83/56/444618356.db2.gz SGMTTWQCZXIXDI-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CCC[NH+]1CCOC)c1ccccc1 ZINC000343835721 444618359 /nfs/dbraw/zinc/61/83/59/444618359.db2.gz SGMTTWQCZXIXDI-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)c1ccccc1 ZINC000343835721 444618361 /nfs/dbraw/zinc/61/83/61/444618361.db2.gz SGMTTWQCZXIXDI-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCOC)c1ccccc1 ZINC000343835721 444618363 /nfs/dbraw/zinc/61/83/63/444618363.db2.gz SGMTTWQCZXIXDI-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP C[C@H](CNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)[N@@H+](C)C1CC1 ZINC000333439099 444671329 /nfs/dbraw/zinc/67/13/29/444671329.db2.gz VUHHRMOTYVCNNO-XYPHTWIQSA-N 2 1 338.496 1.397 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@@H]2CCCn3ccnc32)CC[N@H+]1CC(C)(C)O ZINC000333120364 444640232 /nfs/dbraw/zinc/64/02/32/444640232.db2.gz ZSKNIRZDEGWSPC-GJZGRUSLSA-N 2 1 349.479 1.247 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000333823063 444701624 /nfs/dbraw/zinc/70/16/24/444701624.db2.gz HZYMNXCCSPPIPG-BZUAXINKSA-N 2 1 329.510 1.122 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000341169228 444708172 /nfs/dbraw/zinc/70/81/72/444708172.db2.gz QREYMLLOIXTBLE-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000341169228 444708174 /nfs/dbraw/zinc/70/81/74/444708174.db2.gz QREYMLLOIXTBLE-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000341169228 444708177 /nfs/dbraw/zinc/70/81/77/444708177.db2.gz QREYMLLOIXTBLE-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000329765066 444709085 /nfs/dbraw/zinc/70/90/85/444709085.db2.gz WNQCTJIISXYQPO-INIZCTEOSA-N 2 1 327.432 1.876 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC(C[NH+]3CCOCC3)CC1)C2 ZINC000329801894 444722751 /nfs/dbraw/zinc/72/27/51/444722751.db2.gz YWUPPKSFQFFVII-QGZVFWFLSA-N 2 1 346.475 1.325 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC(C[NH+]3CCOCC3)CC1)C2 ZINC000329801893 444722780 /nfs/dbraw/zinc/72/27/80/444722780.db2.gz YWUPPKSFQFFVII-KRWDZBQOSA-N 2 1 346.475 1.325 20 0 EDADMP COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000343940035 444683467 /nfs/dbraw/zinc/68/34/67/444683467.db2.gz NBUAGAAKIDRAGW-RBUKOAKNSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@@](C)(O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000343940035 444683470 /nfs/dbraw/zinc/68/34/70/444683470.db2.gz NBUAGAAKIDRAGW-RBUKOAKNSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@@](C)(O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000343940035 444683473 /nfs/dbraw/zinc/68/34/73/444683473.db2.gz NBUAGAAKIDRAGW-RBUKOAKNSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@@](C)(O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000343940035 444683476 /nfs/dbraw/zinc/68/34/76/444683476.db2.gz NBUAGAAKIDRAGW-RBUKOAKNSA-N 2 1 332.444 1.508 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[N@@H+](C2CC2)C1 ZINC000333985523 444737492 /nfs/dbraw/zinc/73/74/92/444737492.db2.gz GDGKUORTGWXAGO-ZDUSSCGKSA-N 2 1 334.468 1.112 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[N@H+](C2CC2)C1 ZINC000333985523 444737494 /nfs/dbraw/zinc/73/74/94/444737494.db2.gz GDGKUORTGWXAGO-ZDUSSCGKSA-N 2 1 334.468 1.112 20 0 EDADMP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344045028 444747143 /nfs/dbraw/zinc/74/71/43/444747143.db2.gz XZPIARMXNASZQN-FGTMMUONSA-N 2 1 340.556 1.695 20 0 EDADMP C[C@H](O)[C@@H]1CCN(c2cc(NCC[N@H+]3CCC[C@@H](C)C3)ncn2)C1 ZINC000334058787 444765905 /nfs/dbraw/zinc/76/59/05/444765905.db2.gz XJWIDIARENKMIW-OWCLPIDISA-N 2 1 333.480 1.828 20 0 EDADMP C[C@@H]1C[C@H](CO)CC[N@H+]1CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000344120042 444792030 /nfs/dbraw/zinc/79/20/30/444792030.db2.gz CMPAEMMMQHJTSG-HZPDHXFCSA-N 2 1 335.448 1.017 20 0 EDADMP CO[C@H](C)c1noc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000336872879 444817748 /nfs/dbraw/zinc/81/77/48/444817748.db2.gz RBYDKCRDGGVQMC-QWHCGFSZSA-N 2 1 326.441 1.302 20 0 EDADMP CO[C@H](C)c1noc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000336872879 444817751 /nfs/dbraw/zinc/81/77/51/444817751.db2.gz RBYDKCRDGGVQMC-QWHCGFSZSA-N 2 1 326.441 1.302 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](CCCC(=O)OC)CC1 ZINC000342785592 444866183 /nfs/dbraw/zinc/86/61/83/444866183.db2.gz RTQXNZHIANONHM-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC1CC[NH+](CCCC(=O)OC)CC1 ZINC000342785592 444866187 /nfs/dbraw/zinc/86/61/87/444866187.db2.gz RTQXNZHIANONHM-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCC[N@H+]1C ZINC000336969344 444880310 /nfs/dbraw/zinc/88/03/10/444880310.db2.gz JKRRLYQUAOJSSP-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000330369442 444955119 /nfs/dbraw/zinc/95/51/19/444955119.db2.gz XRWNDYHPELHGNZ-UKRRQHHQSA-N 2 1 325.478 1.811 20 0 EDADMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000330369442 444955123 /nfs/dbraw/zinc/95/51/23/444955123.db2.gz XRWNDYHPELHGNZ-UKRRQHHQSA-N 2 1 325.478 1.811 20 0 EDADMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000330369442 444955126 /nfs/dbraw/zinc/95/51/26/444955126.db2.gz XRWNDYHPELHGNZ-UKRRQHHQSA-N 2 1 325.478 1.811 20 0 EDADMP C[C@H](c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000330369442 444955131 /nfs/dbraw/zinc/95/51/31/444955131.db2.gz XRWNDYHPELHGNZ-UKRRQHHQSA-N 2 1 325.478 1.811 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000344421089 444957991 /nfs/dbraw/zinc/95/79/91/444957991.db2.gz OZSMVTNUYGEYGK-SNRMKQJTSA-N 2 1 345.487 1.562 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000344421089 444957993 /nfs/dbraw/zinc/95/79/93/444957993.db2.gz OZSMVTNUYGEYGK-SNRMKQJTSA-N 2 1 345.487 1.562 20 0 EDADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000344442769 444974755 /nfs/dbraw/zinc/97/47/55/444974755.db2.gz PGCAPOMZMDMGRG-WMLDXEAASA-N 2 1 335.448 1.010 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000344447026 444978545 /nfs/dbraw/zinc/97/85/45/444978545.db2.gz QOBNUVZIJBGMJC-INIZCTEOSA-N 2 1 333.480 1.343 20 0 EDADMP C[C@@H](CCNC(=O)C1(C[NH3+])CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000344448003 444979966 /nfs/dbraw/zinc/97/99/66/444979966.db2.gz QZKMXDKPBKROON-INIZCTEOSA-N 2 1 333.476 1.769 20 0 EDADMP CCNC(=O)COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000339065201 445016086 /nfs/dbraw/zinc/01/60/86/445016086.db2.gz CMXMWDSNSUBLQQ-DLBZAZTESA-N 2 1 331.460 1.918 20 0 EDADMP CCNC(=O)COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000339065201 445016091 /nfs/dbraw/zinc/01/60/91/445016091.db2.gz CMXMWDSNSUBLQQ-DLBZAZTESA-N 2 1 331.460 1.918 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000341891847 445055856 /nfs/dbraw/zinc/05/58/56/445055856.db2.gz DABIYFAEJRHEQY-HOTGVXAUSA-N 2 1 332.510 1.244 20 0 EDADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)C1 ZINC000339432872 445138707 /nfs/dbraw/zinc/13/87/07/445138707.db2.gz QVDNACNUELEPMN-HOTGVXAUSA-N 2 1 329.510 1.076 20 0 EDADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)C1 ZINC000339432872 445138710 /nfs/dbraw/zinc/13/87/10/445138710.db2.gz QVDNACNUELEPMN-HOTGVXAUSA-N 2 1 329.510 1.076 20 0 EDADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)C1 ZINC000339432872 445138714 /nfs/dbraw/zinc/13/87/14/445138714.db2.gz QVDNACNUELEPMN-HOTGVXAUSA-N 2 1 329.510 1.076 20 0 EDADMP CC[C@@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000339269723 445126872 /nfs/dbraw/zinc/12/68/72/445126872.db2.gz ISACDJKRCXSTSO-HKUYNNGSSA-N 2 1 346.519 1.649 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000342097211 445170619 /nfs/dbraw/zinc/17/06/19/445170619.db2.gz SLJDCEVGMGCZKH-QAPCUYQASA-N 2 1 330.476 1.570 20 0 EDADMP CS(=O)(=O)c1cccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342079065 445160270 /nfs/dbraw/zinc/16/02/70/445160270.db2.gz DGGNCDDPCIEALP-XKQJLSEDSA-N 2 1 338.473 1.528 20 0 EDADMP CS(=O)(=O)c1cccc(OCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342079065 445160272 /nfs/dbraw/zinc/16/02/72/445160272.db2.gz DGGNCDDPCIEALP-XKQJLSEDSA-N 2 1 338.473 1.528 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000345846877 445200709 /nfs/dbraw/zinc/20/07/09/445200709.db2.gz ASAHRSDPVYFXJJ-HZPDHXFCSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@H](C)[NH+]1C ZINC000343463097 445227408 /nfs/dbraw/zinc/22/74/08/445227408.db2.gz LABQRXKZNWJJKH-GJZGRUSLSA-N 2 1 346.475 1.280 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000346959074 445229024 /nfs/dbraw/zinc/22/90/24/445229024.db2.gz CYLNVILHJQFWNK-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000346959074 445229026 /nfs/dbraw/zinc/22/90/26/445229026.db2.gz CYLNVILHJQFWNK-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000346959074 445229028 /nfs/dbraw/zinc/22/90/28/445229028.db2.gz CYLNVILHJQFWNK-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000343554046 445243059 /nfs/dbraw/zinc/24/30/59/445243059.db2.gz VPMPYFSCCPRTSZ-ZIFCJYIRSA-N 2 1 344.503 1.701 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000347666729 445244121 /nfs/dbraw/zinc/24/41/21/445244121.db2.gz JICWQDRPKXKHMK-YVSFHVDLSA-N 2 1 325.497 1.437 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CCC[N@@H+]1C ZINC000343569809 445246102 /nfs/dbraw/zinc/24/61/02/445246102.db2.gz UMAKTEKZVVVCNW-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CCC[N@H+]1C ZINC000343569809 445246103 /nfs/dbraw/zinc/24/61/03/445246103.db2.gz UMAKTEKZVVVCNW-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH+]1C ZINC000343569809 445246105 /nfs/dbraw/zinc/24/61/05/445246105.db2.gz UMAKTEKZVVVCNW-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH+]1C ZINC000343569809 445246107 /nfs/dbraw/zinc/24/61/07/445246107.db2.gz UMAKTEKZVVVCNW-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351718244 445290565 /nfs/dbraw/zinc/29/05/65/445290565.db2.gz POYLMANJAAUOLT-BEFAXECRSA-N 2 1 335.467 1.959 20 0 EDADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351718244 445290570 /nfs/dbraw/zinc/29/05/70/445290570.db2.gz POYLMANJAAUOLT-BEFAXECRSA-N 2 1 335.467 1.959 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000354553318 445291537 /nfs/dbraw/zinc/29/15/37/445291537.db2.gz VMUIQBMFNZXCSN-IYBDPMFKSA-N 2 1 325.497 1.865 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000348166280 445298400 /nfs/dbraw/zinc/29/84/00/445298400.db2.gz BLCKHVFURDEFMT-CQSZACIVSA-N 2 1 330.436 1.673 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000348166280 445298404 /nfs/dbraw/zinc/29/84/04/445298404.db2.gz BLCKHVFURDEFMT-CQSZACIVSA-N 2 1 330.436 1.673 20 0 EDADMP COCCOCc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000348261464 445331140 /nfs/dbraw/zinc/33/11/40/445331140.db2.gz MPXXALBJLVCXFG-UHFFFAOYSA-N 2 1 336.476 1.786 20 0 EDADMP C[C@H]1CN(CCC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+]1CCO ZINC000351835000 445337851 /nfs/dbraw/zinc/33/78/51/445337851.db2.gz NEFLTKZFOPRPOE-IBGZPJMESA-N 2 1 346.519 1.197 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ncncc1Cl ZINC000348631745 445339713 /nfs/dbraw/zinc/33/97/13/445339713.db2.gz HQBPIBMXJJYEGS-CYBMUJFWSA-N 2 1 339.871 1.618 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 ZINC000351857510 445344916 /nfs/dbraw/zinc/34/49/16/445344916.db2.gz BWEXBAIAVZYKSN-UPJWGTAASA-N 2 1 325.403 1.681 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 ZINC000351857510 445344918 /nfs/dbraw/zinc/34/49/18/445344918.db2.gz BWEXBAIAVZYKSN-UPJWGTAASA-N 2 1 325.403 1.681 20 0 EDADMP CCC[N@H+](CCOCC[NH3+])CC(=O)Nc1ccc(F)c(F)c1F ZINC000357025347 445381346 /nfs/dbraw/zinc/38/13/46/445381346.db2.gz GCJSEABBCMUNOG-UHFFFAOYSA-N 2 1 333.354 1.730 20 0 EDADMP CCC[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccc(F)c(F)c1F ZINC000357025347 445381353 /nfs/dbraw/zinc/38/13/53/445381353.db2.gz GCJSEABBCMUNOG-UHFFFAOYSA-N 2 1 333.354 1.730 20 0 EDADMP CN(CC[N@@H+](C)C[C@H]1CCO[C@@H]1c1ccnn1C)C1CC[NH+](C)CC1 ZINC000349039425 445484762 /nfs/dbraw/zinc/48/47/62/445484762.db2.gz XJDGGNBDYIFBEH-APWZRJJASA-N 2 1 349.523 1.456 20 0 EDADMP CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2cc[nH]n2)n1 ZINC000354917830 445433774 /nfs/dbraw/zinc/43/37/74/445433774.db2.gz IALQQBGPFJMYDX-JSGCOSHPSA-N 2 1 333.415 1.315 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000362565265 445442265 /nfs/dbraw/zinc/44/22/65/445442265.db2.gz AEPDYSKTCRZINY-LSDHHAIUSA-N 2 1 349.479 1.060 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CN2CCCC[C@H]2CO1 ZINC000362709791 445512594 /nfs/dbraw/zinc/51/25/94/445512594.db2.gz GCGNYRYUFFOOTJ-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)NC[C@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000362709791 445512598 /nfs/dbraw/zinc/51/25/98/445512598.db2.gz GCGNYRYUFFOOTJ-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000362709791 445512602 /nfs/dbraw/zinc/51/26/02/445512602.db2.gz GCGNYRYUFFOOTJ-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362709791 445512606 /nfs/dbraw/zinc/51/26/06/445512606.db2.gz GCGNYRYUFFOOTJ-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362709791 445512611 /nfs/dbraw/zinc/51/26/11/445512611.db2.gz GCGNYRYUFFOOTJ-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP COc1cc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)ccc1S(C)(=O)=O ZINC000360022177 445532947 /nfs/dbraw/zinc/53/29/47/445532947.db2.gz XITOAHHHAAOTRM-TZMCWYRMSA-N 2 1 349.456 1.961 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000357221045 445489793 /nfs/dbraw/zinc/48/97/93/445489793.db2.gz BPFRCNNSWHJQLK-MSOLQXFVSA-N 2 1 349.475 1.191 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC3CC[NH+](C)CC3)cc2)CC1 ZINC000355842718 445503049 /nfs/dbraw/zinc/50/30/49/445503049.db2.gz DLDRVFOFMIUIRS-UHFFFAOYSA-N 2 1 344.503 1.899 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)N1CCOCC1 ZINC000357635473 445572937 /nfs/dbraw/zinc/57/29/37/445572937.db2.gz DYWZQLPSNXHXEX-SJORKVTESA-N 2 1 342.528 1.761 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000357635473 445572942 /nfs/dbraw/zinc/57/29/42/445572942.db2.gz DYWZQLPSNXHXEX-SJORKVTESA-N 2 1 342.528 1.761 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000357635473 445572947 /nfs/dbraw/zinc/57/29/47/445572947.db2.gz DYWZQLPSNXHXEX-SJORKVTESA-N 2 1 342.528 1.761 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000360122216 445579640 /nfs/dbraw/zinc/57/96/40/445579640.db2.gz CRWLDZFMHNJRGA-OAHLLOKOSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000356038617 445583528 /nfs/dbraw/zinc/58/35/28/445583528.db2.gz MQJNBTBRYYCXSK-ZBFHGGJFSA-N 2 1 332.448 1.472 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000356038617 445583532 /nfs/dbraw/zinc/58/35/32/445583532.db2.gz MQJNBTBRYYCXSK-ZBFHGGJFSA-N 2 1 332.448 1.472 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000362772199 445543060 /nfs/dbraw/zinc/54/30/60/445543060.db2.gz DYTJSIYPPYSUAU-APWZRJJASA-N 2 1 345.487 1.975 20 0 EDADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NC(=O)NCc1ccccc1 ZINC000358521788 445631418 /nfs/dbraw/zinc/63/14/18/445631418.db2.gz YRJNHMYEEBQXJZ-UHFFFAOYSA-N 2 1 330.432 1.088 20 0 EDADMP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353501258 445631742 /nfs/dbraw/zinc/63/17/42/445631742.db2.gz YTCCLVSACXOERR-MLHJIOFPSA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000358610678 445675050 /nfs/dbraw/zinc/67/50/50/445675050.db2.gz VSLOGUGWWWRRAK-OAHLLOKOSA-N 2 1 327.517 1.040 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000358610678 445675052 /nfs/dbraw/zinc/67/50/52/445675052.db2.gz VSLOGUGWWWRRAK-OAHLLOKOSA-N 2 1 327.517 1.040 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000358610678 445675055 /nfs/dbraw/zinc/67/50/55/445675055.db2.gz VSLOGUGWWWRRAK-OAHLLOKOSA-N 2 1 327.517 1.040 20 0 EDADMP CN(C(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000349801188 445682333 /nfs/dbraw/zinc/68/23/33/445682333.db2.gz MXTWZVPZGZCCME-GOSISDBHSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000349801188 445682337 /nfs/dbraw/zinc/68/23/37/445682337.db2.gz MXTWZVPZGZCCME-GOSISDBHSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C(=O)NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000349801188 445682342 /nfs/dbraw/zinc/68/23/42/445682342.db2.gz MXTWZVPZGZCCME-GOSISDBHSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358658427 445698218 /nfs/dbraw/zinc/69/82/18/445698218.db2.gz DZHIZGGHBAFLEU-MJGOQNOKSA-N 2 1 348.491 1.435 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000363200355 445718409 /nfs/dbraw/zinc/71/84/09/445718409.db2.gz JDZVEIMVRIHVKW-SFHVURJKSA-N 2 1 345.491 1.482 20 0 EDADMP CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000358695648 445722536 /nfs/dbraw/zinc/72/25/36/445722536.db2.gz RCDGKHBFTSYIEZ-LZWOXQAQSA-N 2 1 349.479 1.034 20 0 EDADMP CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358695648 445722538 /nfs/dbraw/zinc/72/25/38/445722538.db2.gz RCDGKHBFTSYIEZ-LZWOXQAQSA-N 2 1 349.479 1.034 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000349931994 445724523 /nfs/dbraw/zinc/72/45/23/445724523.db2.gz IFCJXBFAQKEFRB-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)[N@@H+](C)C1CC1 ZINC000356328210 445736599 /nfs/dbraw/zinc/73/65/99/445736599.db2.gz DRJGKFYYCDWUPO-OAHLLOKOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H](CC1CCOCC1)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000350006112 445747273 /nfs/dbraw/zinc/74/72/73/445747273.db2.gz GDCGUBOGCVMJRE-AEFFLSMTSA-N 2 1 337.508 1.678 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@@H]2C)C1 ZINC000350004626 445747484 /nfs/dbraw/zinc/74/74/84/445747484.db2.gz DUFUPKNPCYDEMQ-GVDBMIGSSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@@H]2C)C1 ZINC000350004626 445747487 /nfs/dbraw/zinc/74/74/87/445747487.db2.gz DUFUPKNPCYDEMQ-GVDBMIGSSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)Oc1ccccc1CN1CCO[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000363493127 445829650 /nfs/dbraw/zinc/82/96/50/445829650.db2.gz MABXAGYCIQUUCF-IBGZPJMESA-N 2 1 347.503 1.922 20 0 EDADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000356610629 445884167 /nfs/dbraw/zinc/88/41/67/445884167.db2.gz UNUQLGKZWPILJN-QZTJIDSGSA-N 2 1 338.540 1.593 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)[C@H](C)C1 ZINC000353979488 445837903 /nfs/dbraw/zinc/83/79/03/445837903.db2.gz QZGQJNDXIRBFMV-QCLGFWRNSA-N 2 1 336.524 1.390 20 0 EDADMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1ccncc1 ZINC000363535174 445848303 /nfs/dbraw/zinc/84/83/03/445848303.db2.gz PZCSEYHEJAIEIU-UHFFFAOYSA-N 2 1 328.464 1.555 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1ccncc1 ZINC000363535174 445848307 /nfs/dbraw/zinc/84/83/07/445848307.db2.gz PZCSEYHEJAIEIU-UHFFFAOYSA-N 2 1 328.464 1.555 20 0 EDADMP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000354021918 445859083 /nfs/dbraw/zinc/85/90/83/445859083.db2.gz ZQTSTEPIJHFLPM-HKUYNNGSSA-N 2 1 344.503 1.528 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000354021918 445859085 /nfs/dbraw/zinc/85/90/85/445859085.db2.gz ZQTSTEPIJHFLPM-HKUYNNGSSA-N 2 1 344.503 1.528 20 0 EDADMP C[C@@H](C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCCCCC1 ZINC000363645952 445863052 /nfs/dbraw/zinc/86/30/52/445863052.db2.gz IDQKLGIIBVTVEZ-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363662279 445866684 /nfs/dbraw/zinc/86/66/84/445866684.db2.gz MWEZJSKUPGGXPI-BSDSXHPESA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363662279 445866686 /nfs/dbraw/zinc/86/66/86/445866686.db2.gz MWEZJSKUPGGXPI-BSDSXHPESA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363662279 445866688 /nfs/dbraw/zinc/86/66/88/445866688.db2.gz MWEZJSKUPGGXPI-BSDSXHPESA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000361775468 445933455 /nfs/dbraw/zinc/93/34/55/445933455.db2.gz WGEGCYVUPQNVFA-IKGGRYGDSA-N 2 1 339.528 1.137 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(C)=O)C2)[C@H](C)C1 ZINC000359034460 445900227 /nfs/dbraw/zinc/90/02/27/445900227.db2.gz ZFPYMSHXCBWYCN-NEWSRXKRSA-N 2 1 339.524 1.972 20 0 EDADMP COC(=O)C(C)(C)CC[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000354123713 445921971 /nfs/dbraw/zinc/92/19/71/445921971.db2.gz BJNWXCSCBQOLGB-CQSZACIVSA-N 2 1 327.469 1.108 20 0 EDADMP COC(=O)C(C)(C)CC[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000354123713 445921973 /nfs/dbraw/zinc/92/19/73/445921973.db2.gz BJNWXCSCBQOLGB-CQSZACIVSA-N 2 1 327.469 1.108 20 0 EDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C/C[NH+](C)C ZINC000372922347 445922728 /nfs/dbraw/zinc/92/27/28/445922728.db2.gz LVDNIYHZHSQVGS-VQFGERMISA-N 2 1 331.460 1.200 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000351033856 445976227 /nfs/dbraw/zinc/97/62/27/445976227.db2.gz YBRHSRPXKXSQJR-JKSUJKDBSA-N 2 1 340.512 1.166 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000356737355 445979698 /nfs/dbraw/zinc/97/96/98/445979698.db2.gz ZBDINRRDWJPYSC-ROUUACIJSA-N 2 1 346.475 1.083 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000356737355 445979703 /nfs/dbraw/zinc/97/97/03/445979703.db2.gz ZBDINRRDWJPYSC-ROUUACIJSA-N 2 1 346.475 1.083 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000356737355 445979710 /nfs/dbraw/zinc/97/97/10/445979710.db2.gz ZBDINRRDWJPYSC-ROUUACIJSA-N 2 1 346.475 1.083 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000356737355 445979715 /nfs/dbraw/zinc/97/97/15/445979715.db2.gz ZBDINRRDWJPYSC-ROUUACIJSA-N 2 1 346.475 1.083 20 0 EDADMP C[N@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000359147740 445981586 /nfs/dbraw/zinc/98/15/86/445981586.db2.gz XQEYYSJZXRPPIW-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000359147740 445981591 /nfs/dbraw/zinc/98/15/91/445981591.db2.gz XQEYYSJZXRPPIW-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000359147740 445981596 /nfs/dbraw/zinc/98/15/96/445981596.db2.gz XQEYYSJZXRPPIW-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000365987213 445945532 /nfs/dbraw/zinc/94/55/32/445945532.db2.gz IBSKIHFJFIZWCO-IBGZPJMESA-N 2 1 345.487 1.660 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000365987213 445945541 /nfs/dbraw/zinc/94/55/41/445945541.db2.gz IBSKIHFJFIZWCO-IBGZPJMESA-N 2 1 345.487 1.660 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000365987213 445945548 /nfs/dbraw/zinc/94/55/48/445945548.db2.gz IBSKIHFJFIZWCO-IBGZPJMESA-N 2 1 345.487 1.660 20 0 EDADMP CC(C)S(=O)(=O)N1CCC([NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000361793029 445951604 /nfs/dbraw/zinc/95/16/04/445951604.db2.gz TYLGHYYIPJWFJX-FMKPAKJESA-N 2 1 331.526 1.507 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000583141557 326010694 /nfs/dbraw/zinc/01/06/94/326010694.db2.gz HJSSENONNSXHTA-UHFFFAOYSA-N 2 1 348.491 1.645 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@H]3CCC[NH2+]C3)c2)CCO1 ZINC000583489383 326081745 /nfs/dbraw/zinc/08/17/45/326081745.db2.gz WEFHJONWMNOMBJ-QAPCUYQASA-N 2 1 346.475 1.459 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@H]3CCC[NH2+]C3)c2)CCO1 ZINC000583489383 326081746 /nfs/dbraw/zinc/08/17/46/326081746.db2.gz WEFHJONWMNOMBJ-QAPCUYQASA-N 2 1 346.475 1.459 20 0 EDADMP C[C@@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000583554204 326094451 /nfs/dbraw/zinc/09/44/51/326094451.db2.gz VLSOFFZJPFHNQG-KBPBESRZSA-N 2 1 336.505 1.794 20 0 EDADMP C[C@@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000583554204 326094453 /nfs/dbraw/zinc/09/44/53/326094453.db2.gz VLSOFFZJPFHNQG-KBPBESRZSA-N 2 1 336.505 1.794 20 0 EDADMP CC[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000583682521 326117281 /nfs/dbraw/zinc/11/72/81/326117281.db2.gz ZFTNECUENGUHCO-ROUUACIJSA-N 2 1 330.476 1.875 20 0 EDADMP Cc1ccc(OC[C@H](O)C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000583930325 326167797 /nfs/dbraw/zinc/16/77/97/326167797.db2.gz ZHYVCYUBFMZAIC-GOSISDBHSA-N 2 1 349.519 1.659 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000584232048 326225581 /nfs/dbraw/zinc/22/55/81/326225581.db2.gz BHQZVYHJKXRGNI-SFHVURJKSA-N 2 1 330.432 1.190 20 0 EDADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CS1 ZINC000365178878 446066360 /nfs/dbraw/zinc/06/63/60/446066360.db2.gz PBQVIDBVBZJSRG-BBWFWOEESA-N 2 1 341.565 1.903 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351486786 446087798 /nfs/dbraw/zinc/08/77/98/446087798.db2.gz AZTLWYYHCQLRSA-JBJRXJHCSA-N 2 1 331.460 1.930 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351486786 446087807 /nfs/dbraw/zinc/08/78/07/446087807.db2.gz AZTLWYYHCQLRSA-JBJRXJHCSA-N 2 1 331.460 1.930 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359241642 446074661 /nfs/dbraw/zinc/07/46/61/446074661.db2.gz PLPFYOKDNFPGSX-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCCCOc3ccccc3F)C[C@@H]12 ZINC000351481249 446082305 /nfs/dbraw/zinc/08/23/05/446082305.db2.gz WSXHYTFMMVZZCR-SQWLQELKSA-N 2 1 335.423 1.380 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCCCOc3ccccc3F)C[C@@H]12 ZINC000351481249 446082312 /nfs/dbraw/zinc/08/23/12/446082312.db2.gz WSXHYTFMMVZZCR-SQWLQELKSA-N 2 1 335.423 1.380 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000359249073 446082692 /nfs/dbraw/zinc/08/26/92/446082692.db2.gz HYJNNAZOFVEUGO-HOTGVXAUSA-N 2 1 340.512 1.166 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000359249073 446082699 /nfs/dbraw/zinc/08/26/99/446082699.db2.gz HYJNNAZOFVEUGO-HOTGVXAUSA-N 2 1 340.512 1.166 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000359249073 446082703 /nfs/dbraw/zinc/08/27/03/446082703.db2.gz HYJNNAZOFVEUGO-HOTGVXAUSA-N 2 1 340.512 1.166 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351490158 446091982 /nfs/dbraw/zinc/09/19/82/446091982.db2.gz IJHDHVYWKKPHPX-CLWVCHIJSA-N 2 1 345.443 1.844 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351490158 446091987 /nfs/dbraw/zinc/09/19/87/446091987.db2.gz IJHDHVYWKKPHPX-CLWVCHIJSA-N 2 1 345.443 1.844 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351498384 446102495 /nfs/dbraw/zinc/10/24/95/446102495.db2.gz VPUFTMZPTANQKI-DDUYRFODSA-N 2 1 330.432 1.042 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351498384 446102497 /nfs/dbraw/zinc/10/24/97/446102497.db2.gz VPUFTMZPTANQKI-DDUYRFODSA-N 2 1 330.432 1.042 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000359280167 446115573 /nfs/dbraw/zinc/11/55/73/446115573.db2.gz WPRKSUPWQUOFNF-HRCADAONSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000359280167 446115579 /nfs/dbraw/zinc/11/55/79/446115579.db2.gz WPRKSUPWQUOFNF-HRCADAONSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000359280167 446115585 /nfs/dbraw/zinc/11/55/85/446115585.db2.gz WPRKSUPWQUOFNF-HRCADAONSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365277285 446121532 /nfs/dbraw/zinc/12/15/32/446121532.db2.gz TTXRBPAEJZNDPZ-IKGGRYGDSA-N 2 1 335.492 1.430 20 0 EDADMP C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000369439675 446122447 /nfs/dbraw/zinc/12/24/47/446122447.db2.gz WQQGTYPIAVTLCI-CGTJXYLNSA-N 2 1 330.476 1.998 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C[NH2+]CC3CC3)[C@H](C)C2)s1 ZINC000366319543 446147260 /nfs/dbraw/zinc/14/72/60/446147260.db2.gz CDXRJCZSCNEMNU-WBMJQRKESA-N 2 1 336.505 1.778 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CSC[NH2+]3)[C@@H](C)C2)s1 ZINC000366326005 446151624 /nfs/dbraw/zinc/15/16/24/446151624.db2.gz QIJJZTAGLYWVTF-BPNCWPANSA-N 2 1 340.518 1.441 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CSC[NH2+]3)[C@@H](C)C2)s1 ZINC000366326005 446151632 /nfs/dbraw/zinc/15/16/32/446151632.db2.gz QIJJZTAGLYWVTF-BPNCWPANSA-N 2 1 340.518 1.441 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000366326073 446152864 /nfs/dbraw/zinc/15/28/64/446152864.db2.gz QPJAQWXMFAXAHA-GXTWGEPZSA-N 2 1 345.472 1.637 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000366326073 446152868 /nfs/dbraw/zinc/15/28/68/446152868.db2.gz QPJAQWXMFAXAHA-GXTWGEPZSA-N 2 1 345.472 1.637 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000365411881 446195389 /nfs/dbraw/zinc/19/53/89/446195389.db2.gz KWRGJIRJFOTIOE-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000359393019 446195509 /nfs/dbraw/zinc/19/55/09/446195509.db2.gz REAVAJWLOMEJLO-KRWDZBQOSA-N 2 1 328.460 1.751 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000359393019 446195513 /nfs/dbraw/zinc/19/55/13/446195513.db2.gz REAVAJWLOMEJLO-KRWDZBQOSA-N 2 1 328.460 1.751 20 0 EDADMP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000366407057 446197605 /nfs/dbraw/zinc/19/76/05/446197605.db2.gz DDKCXCZVUCNGHM-CABCVRRESA-N 2 1 329.448 1.304 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)[C@]2([NH+](C)C)CCCSC2)CCCO1 ZINC000365455030 446215050 /nfs/dbraw/zinc/21/50/50/446215050.db2.gz GSUHKAVESJHAIR-WBVHZDCISA-N 2 1 343.537 1.431 20 0 EDADMP Cc1cc(C[N@H+](C)C[C@H]2C[C@@H](F)CN2c2ccnc(N(C)C)n2)on1 ZINC000351622833 446217033 /nfs/dbraw/zinc/21/70/33/446217033.db2.gz SSNSPJVZWNCIMQ-ZIAGYGMSSA-N 2 1 348.426 1.888 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000366521530 446247609 /nfs/dbraw/zinc/24/76/09/446247609.db2.gz ZDXDWYXJVUYQBK-ZWKOTPCHSA-N 2 1 347.528 1.905 20 0 EDADMP Cc1noc(C2C[NH+](C[C@H](O)Cn3cnc4cc(C)c(C)cc43)C2)n1 ZINC000365579335 446260574 /nfs/dbraw/zinc/26/05/74/446260574.db2.gz WQXRJNPSYOTNGC-HNNXBMFYSA-N 2 1 341.415 1.805 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000359502073 446262783 /nfs/dbraw/zinc/26/27/83/446262783.db2.gz DKONVHTUGNTURM-IRXDYDNUSA-N 2 1 327.513 1.802 20 0 EDADMP Cc1ncc2n1CC[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)C2 ZINC000365673435 446296100 /nfs/dbraw/zinc/29/61/00/446296100.db2.gz IVPOYZJBCIKMKO-INIZCTEOSA-N 2 1 335.496 1.096 20 0 EDADMP CC[NH+]1CCCN(c2nc(C)nc(N3CCC[N@H+](CC)CC3)n2)CC1 ZINC000359520683 446273686 /nfs/dbraw/zinc/27/36/86/446273686.db2.gz AYGNTNMLTCIQNS-UHFFFAOYSA-N 2 1 347.511 1.244 20 0 EDADMP CC(C)c1n[nH]cc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365634171 446281907 /nfs/dbraw/zinc/28/19/07/446281907.db2.gz XJLOCRYXFPNAJE-OAHLLOKOSA-N 2 1 333.480 1.774 20 0 EDADMP CC[NH+](CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)C1CC1 ZINC000366716743 446320438 /nfs/dbraw/zinc/32/04/38/446320438.db2.gz GBSDUXNFLLGFAA-KDOFPFPSSA-N 2 1 333.480 1.404 20 0 EDADMP [NH3+]CCNC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000417276797 446337648 /nfs/dbraw/zinc/33/76/48/446337648.db2.gz FICIJAQGFVHITC-UHFFFAOYSA-N 2 1 339.871 1.110 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417445195 446352010 /nfs/dbraw/zinc/35/20/10/446352010.db2.gz FUXTUDQHKKXDLH-LSDHHAIUSA-N 2 1 326.485 1.114 20 0 EDADMP COC[C@H]([NH3+])C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000376145244 446353078 /nfs/dbraw/zinc/35/30/78/446353078.db2.gz SODDSYHTLWKTLE-KSZLIROESA-N 2 1 331.460 1.616 20 0 EDADMP CN(C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417502321 446355815 /nfs/dbraw/zinc/35/58/15/446355815.db2.gz KRECNCRMCLQLMT-SFHVURJKSA-N 2 1 344.503 1.944 20 0 EDADMP Cc1[nH+]c(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c2n1CCCC2 ZINC000376162746 446362411 /nfs/dbraw/zinc/36/24/11/446362411.db2.gz OCHJELJLSOKYKP-AWEZNQCLSA-N 2 1 331.464 1.811 20 0 EDADMP Cc1[nH+]c(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c2n1CCCC2 ZINC000376162746 446362414 /nfs/dbraw/zinc/36/24/14/446362414.db2.gz OCHJELJLSOKYKP-AWEZNQCLSA-N 2 1 331.464 1.811 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)[C@H](C[NH3+])C1 ZINC000417533472 446363121 /nfs/dbraw/zinc/36/31/21/446363121.db2.gz MSHOIHHKXZDOQH-XUWVNRHRSA-N 2 1 326.485 1.397 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)[C@H](C)C1 ZINC000417669686 446369528 /nfs/dbraw/zinc/36/95/28/446369528.db2.gz MSMKHTMKVIPFHF-NCOADZHNSA-N 2 1 340.512 1.502 20 0 EDADMP CC[C@@H](NC(=O)N(C)CC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417901040 446381431 /nfs/dbraw/zinc/38/14/31/446381431.db2.gz VQLSJNLATIOYFA-IAGOWNOFSA-N 2 1 334.464 1.266 20 0 EDADMP CC[C@@H](NC(=O)N(C)CC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417901040 446381435 /nfs/dbraw/zinc/38/14/35/446381435.db2.gz VQLSJNLATIOYFA-IAGOWNOFSA-N 2 1 334.464 1.266 20 0 EDADMP CC[C@H](NC(=O)NC[C@H](C)[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417903379 446382445 /nfs/dbraw/zinc/38/24/45/446382445.db2.gz ZIKGJNKIEHRFDZ-SZMVWBNQSA-N 2 1 348.491 1.573 20 0 EDADMP CC[C@H](NC(=O)NC[C@H](C)[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417903379 446382451 /nfs/dbraw/zinc/38/24/51/446382451.db2.gz ZIKGJNKIEHRFDZ-SZMVWBNQSA-N 2 1 348.491 1.573 20 0 EDADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370676149 446382738 /nfs/dbraw/zinc/38/27/38/446382738.db2.gz IIUANWVTXWDAMY-MWDXBVQZSA-N 2 1 325.497 1.770 20 0 EDADMP CO[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@@H](C[NH3+])C1 ZINC000417915261 446384645 /nfs/dbraw/zinc/38/46/45/446384645.db2.gz UEBOTNMUHXIHHB-GVDBMIGSSA-N 2 1 340.512 1.502 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@@H]1c1ccccc1 ZINC000417953196 446398214 /nfs/dbraw/zinc/39/82/14/446398214.db2.gz ZBPFBIMTURDKFB-MJBXVCDLSA-N 2 1 326.391 1.714 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418083060 446434912 /nfs/dbraw/zinc/43/49/12/446434912.db2.gz YZCJCAYPZIUIMN-GDBMZVCRSA-N 2 1 336.505 1.641 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418083060 446434920 /nfs/dbraw/zinc/43/49/20/446434920.db2.gz YZCJCAYPZIUIMN-GDBMZVCRSA-N 2 1 336.505 1.641 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000418135218 446442403 /nfs/dbraw/zinc/44/24/03/446442403.db2.gz HRRZBRGOTPKYHK-ZWKOTPCHSA-N 2 1 346.475 1.185 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCC[NH2+]CC3)CC2)cc1 ZINC000420275509 446445153 /nfs/dbraw/zinc/44/51/53/446445153.db2.gz QIOCDKSWZGIELW-UHFFFAOYSA-N 2 1 344.503 1.325 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000376350558 446446806 /nfs/dbraw/zinc/44/68/06/446446806.db2.gz IWTHJBZXXNGCIX-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000376350558 446446809 /nfs/dbraw/zinc/44/68/09/446446809.db2.gz IWTHJBZXXNGCIX-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000417986988 446407683 /nfs/dbraw/zinc/40/76/83/446407683.db2.gz HJZYSYQYEDQPGE-QGTPRVQTSA-N 2 1 346.475 1.180 20 0 EDADMP CN1CCO[C@H](C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000452735397 446456614 /nfs/dbraw/zinc/45/66/14/446456614.db2.gz XFLQJIGFTUAWAA-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2C[NH+](C)CCO2)CCC1 ZINC000452735397 446456621 /nfs/dbraw/zinc/45/66/21/446456621.db2.gz XFLQJIGFTUAWAA-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2C[NH+](C)CCO2)CCC1 ZINC000452735397 446456628 /nfs/dbraw/zinc/45/66/28/446456628.db2.gz XFLQJIGFTUAWAA-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC000452735397 446456643 /nfs/dbraw/zinc/45/66/43/446456643.db2.gz XFLQJIGFTUAWAA-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000418205579 446457347 /nfs/dbraw/zinc/45/73/47/446457347.db2.gz RQOZMYFYVQMRMO-DOTOQJQBSA-N 2 1 333.480 1.858 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000418205579 446457352 /nfs/dbraw/zinc/45/73/52/446457352.db2.gz RQOZMYFYVQMRMO-DOTOQJQBSA-N 2 1 333.480 1.858 20 0 EDADMP Cc1nc(C[C@H]2CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)no1 ZINC000420296076 446459735 /nfs/dbraw/zinc/45/97/35/446459735.db2.gz CZJHDUDZBSFOQU-SQNIBIBYSA-N 2 1 344.459 1.563 20 0 EDADMP O=C([C@H]1CCC[N@@H+](CCCOCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000420298584 446462395 /nfs/dbraw/zinc/46/23/95/446462395.db2.gz SDPQEBZLNSIHGH-IBGZPJMESA-N 2 1 345.487 1.737 20 0 EDADMP CC(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420304351 446468661 /nfs/dbraw/zinc/46/86/61/446468661.db2.gz OFQSZJNSIURNPV-FHWLQOOXSA-N 2 1 347.503 1.402 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000370851519 446481456 /nfs/dbraw/zinc/48/14/56/446481456.db2.gz ZGFMNYHQQBKBRZ-MRXNPFEDSA-N 2 1 349.479 1.105 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000370851519 446481463 /nfs/dbraw/zinc/48/14/63/446481463.db2.gz ZGFMNYHQQBKBRZ-MRXNPFEDSA-N 2 1 349.479 1.105 20 0 EDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423266799 446470376 /nfs/dbraw/zinc/47/03/76/446470376.db2.gz SFFFCBHZYIWSAX-CJNGLKHVSA-N 2 1 325.478 1.674 20 0 EDADMP CC[C@@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H](CC)CN1C(C)=O ZINC000420308483 446470900 /nfs/dbraw/zinc/47/09/00/446470900.db2.gz SHLQXDVOTZYFTH-YRPNKDGESA-N 2 1 347.503 1.639 20 0 EDADMP CC[C@@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H](CC)CN1C(C)=O ZINC000420308483 446470908 /nfs/dbraw/zinc/47/09/08/446470908.db2.gz SHLQXDVOTZYFTH-YRPNKDGESA-N 2 1 347.503 1.639 20 0 EDADMP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])s1 ZINC000420311117 446472675 /nfs/dbraw/zinc/47/26/75/446472675.db2.gz NCQOVFMMZGXYAP-GFCCVEGCSA-N 2 1 339.461 1.354 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])s1 ZINC000420311117 446472692 /nfs/dbraw/zinc/47/26/92/446472692.db2.gz NCQOVFMMZGXYAP-GFCCVEGCSA-N 2 1 339.461 1.354 20 0 EDADMP Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000420313847 446477482 /nfs/dbraw/zinc/47/74/82/446477482.db2.gz JKNOJDXRVSGQEJ-WMZOPIPTSA-N 2 1 330.476 1.779 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418286860 446484553 /nfs/dbraw/zinc/48/45/53/446484553.db2.gz SESPYVWKWFVXAP-INIZCTEOSA-N 2 1 339.528 1.363 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418289881 446486625 /nfs/dbraw/zinc/48/66/25/446486625.db2.gz JWYJOWNPIQNJSK-MRXNPFEDSA-N 2 1 333.480 1.592 20 0 EDADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](O)CCc3ccccc3)C2)CC1 ZINC000367053844 446490897 /nfs/dbraw/zinc/49/08/97/446490897.db2.gz TZIHFMBIBVQDGJ-IEBWSBKVSA-N 2 1 345.487 1.265 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](O)CCc3ccccc3)C2)CC1 ZINC000367053844 446490905 /nfs/dbraw/zinc/49/09/05/446490905.db2.gz TZIHFMBIBVQDGJ-IEBWSBKVSA-N 2 1 345.487 1.265 20 0 EDADMP c1ccc(-n2nnnc2CC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420325525 446491939 /nfs/dbraw/zinc/49/19/39/446491939.db2.gz IQUGQJIPQWWZJK-JKSUJKDBSA-N 2 1 326.448 1.526 20 0 EDADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420333351 446503001 /nfs/dbraw/zinc/50/30/01/446503001.db2.gz SRFXJPWFIBXTFH-HOTGVXAUSA-N 2 1 337.508 1.853 20 0 EDADMP C[NH2+]CCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000418332291 446503970 /nfs/dbraw/zinc/50/39/70/446503970.db2.gz RDFVEDZGWGBYGG-IBGZPJMESA-N 2 1 330.476 1.904 20 0 EDADMP COC[C@]1(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000423365793 446504070 /nfs/dbraw/zinc/50/40/70/446504070.db2.gz PVPRECVFDRNFLR-DAYGRLMNSA-N 2 1 325.497 1.485 20 0 EDADMP O=C(CN1CCC([C@H]2CCC[NH2+]2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000420336635 446506704 /nfs/dbraw/zinc/50/67/04/446506704.db2.gz MMOZNVUHOVHTDY-GOSISDBHSA-N 2 1 334.508 1.193 20 0 EDADMP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420340279 446511661 /nfs/dbraw/zinc/51/16/61/446511661.db2.gz ZVARFRDSOQRCOA-JKSUJKDBSA-N 2 1 345.443 1.733 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NC(=O)Nc1ccccc1 ZINC000420331043 446500909 /nfs/dbraw/zinc/50/09/09/446500909.db2.gz BHZIJYLPJUOCQQ-HUUCEWRRSA-N 2 1 330.432 1.656 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418366340 446516027 /nfs/dbraw/zinc/51/60/27/446516027.db2.gz POIGWFFDQJTKHL-SZMVWBNQSA-N 2 1 348.491 1.024 20 0 EDADMP C[NH2+]CCCN(C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000420384574 446561097 /nfs/dbraw/zinc/56/10/97/446561097.db2.gz DMSRPLLALNBPNT-UHFFFAOYSA-N 2 1 332.492 1.181 20 0 EDADMP CC[C@H]1CCCCN1C(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420388764 446562453 /nfs/dbraw/zinc/56/24/53/446562453.db2.gz MOKIOQGQNPKUJL-BBWFWOEESA-N 2 1 335.492 1.478 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418370575 446517635 /nfs/dbraw/zinc/51/76/35/446517635.db2.gz ORTZEAGHYDPBRO-ROUUACIJSA-N 2 1 345.491 1.830 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000418402529 446530937 /nfs/dbraw/zinc/53/09/37/446530937.db2.gz HPZDSMRQFZXPTJ-BBWFWOEESA-N 3 1 339.528 1.171 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000418402530 446531193 /nfs/dbraw/zinc/53/11/93/446531193.db2.gz HPZDSMRQFZXPTJ-BRWVUGGUSA-N 3 1 339.528 1.171 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@H](O)C[NH3+] ZINC000420352780 446532033 /nfs/dbraw/zinc/53/20/33/446532033.db2.gz MTAWLDYRLJVHIL-MRXNPFEDSA-N 2 1 327.428 1.934 20 0 EDADMP CC(C)(C)CC[NH+]1CCN(C(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433169380 446543281 /nfs/dbraw/zinc/54/32/81/446543281.db2.gz QZOKDOQIBBZWPT-UHFFFAOYSA-N 2 1 338.540 1.770 20 0 EDADMP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000420364012 446544029 /nfs/dbraw/zinc/54/40/29/446544029.db2.gz QIHXNBHFWVEJOM-ZDUSSCGKSA-N 2 1 325.478 1.717 20 0 EDADMP COC1([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453124164 446545785 /nfs/dbraw/zinc/54/57/85/446545785.db2.gz NRPPKJPAPLLTFH-HKUYNNGSSA-N 2 1 348.487 1.797 20 0 EDADMP COC1([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453124164 446545792 /nfs/dbraw/zinc/54/57/92/446545792.db2.gz NRPPKJPAPLLTFH-HKUYNNGSSA-N 2 1 348.487 1.797 20 0 EDADMP CCN(C(=O)NC[C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418521289 446579826 /nfs/dbraw/zinc/57/98/26/446579826.db2.gz IGUYYTPPXCYPRG-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418524298 446581738 /nfs/dbraw/zinc/58/17/38/446581738.db2.gz MZOIARKPISKXDZ-ZWKOTPCHSA-N 2 1 345.491 1.687 20 0 EDADMP C[C@@H]1CC[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000420413804 446585819 /nfs/dbraw/zinc/58/58/19/446585819.db2.gz TUFVXBMJOPACHV-HUUCEWRRSA-N 2 1 340.489 1.776 20 0 EDADMP C[C@@H]1CC[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000420413804 446585825 /nfs/dbraw/zinc/58/58/25/446585825.db2.gz TUFVXBMJOPACHV-HUUCEWRRSA-N 2 1 340.489 1.776 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418563428 446596158 /nfs/dbraw/zinc/59/61/58/446596158.db2.gz HYRZHDQQUZUFMD-GJZGRUSLSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418567932 446597807 /nfs/dbraw/zinc/59/78/07/446597807.db2.gz XCZITNIHAZOOFH-YJBOKZPZSA-N 2 1 334.464 1.002 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)CC2)c1 ZINC000418580414 446602026 /nfs/dbraw/zinc/60/20/26/446602026.db2.gz SSBZEFNZGDWYIX-WMZOPIPTSA-N 2 1 330.476 1.820 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000418585642 446604025 /nfs/dbraw/zinc/60/40/25/446604025.db2.gz DNTZAVOIUPQYBQ-KBAYOESNSA-N 2 1 330.476 1.553 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000418585642 446604030 /nfs/dbraw/zinc/60/40/30/446604030.db2.gz DNTZAVOIUPQYBQ-KBAYOESNSA-N 2 1 330.476 1.553 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000423617785 446608528 /nfs/dbraw/zinc/60/85/28/446608528.db2.gz XVIOIJZMCQBYHE-SQNIBIBYSA-N 2 1 331.460 1.297 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000423617785 446608536 /nfs/dbraw/zinc/60/85/36/446608536.db2.gz XVIOIJZMCQBYHE-SQNIBIBYSA-N 2 1 331.460 1.297 20 0 EDADMP [NH3+]CCC[C@H](NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000418666733 446641835 /nfs/dbraw/zinc/64/18/35/446641835.db2.gz GMQLJIVOOHBKTF-ROUUACIJSA-N 2 1 348.491 1.613 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)C2)C1 ZINC000418677917 446645361 /nfs/dbraw/zinc/64/53/61/446645361.db2.gz BMSUPGTWNFSVNV-NLWGTHIKSA-N 2 1 342.487 1.869 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000368113868 446649317 /nfs/dbraw/zinc/64/93/17/446649317.db2.gz UOLTXCRSOIXOIA-ZFWWWQNUSA-N 2 1 328.420 1.503 20 0 EDADMP C[C@@H](CCC[NH3+])NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418694865 446651850 /nfs/dbraw/zinc/65/18/50/446651850.db2.gz WNMGJBDCYCYDFP-QFBILLFUSA-N 2 1 348.491 1.392 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C[C@H]3CCOC3)CC2)CC1 ZINC000371094763 446625095 /nfs/dbraw/zinc/62/50/95/446625095.db2.gz RJJAFVBWFRDRBS-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000423665422 446631584 /nfs/dbraw/zinc/63/15/84/446631584.db2.gz HJXWMSKPERXOID-RTBURBONSA-N 2 1 343.471 1.633 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000434264601 446631816 /nfs/dbraw/zinc/63/18/16/446631816.db2.gz CPXFCTDVGVWUCA-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000434264601 446631819 /nfs/dbraw/zinc/63/18/19/446631819.db2.gz CPXFCTDVGVWUCA-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000434264601 446631824 /nfs/dbraw/zinc/63/18/24/446631824.db2.gz CPXFCTDVGVWUCA-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000434264601 446631829 /nfs/dbraw/zinc/63/18/29/446631829.db2.gz CPXFCTDVGVWUCA-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP NC(=O)c1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000371108294 446633068 /nfs/dbraw/zinc/63/30/68/446633068.db2.gz RHPNXDBZYPTNCU-JYJNAYRXSA-N 2 1 328.460 1.581 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@H+]1C[C@H](C)O ZINC000418651504 446634201 /nfs/dbraw/zinc/63/42/01/446634201.db2.gz YNPHOXHBHZNJBU-ARFHVFGLSA-N 2 1 340.512 1.251 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@H+]1C[C@@H](C)O ZINC000418651506 446634910 /nfs/dbraw/zinc/63/49/10/446634910.db2.gz YNPHOXHBHZNJBU-BZUAXINKSA-N 2 1 340.512 1.251 20 0 EDADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000375346562 446738504 /nfs/dbraw/zinc/73/85/04/446738504.db2.gz AHSKSUSLKLYTOB-OAHLLOKOSA-N 2 1 334.464 1.926 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)C(CC)(CC)C[NH3+])CC2)cn1 ZINC000423768048 446694733 /nfs/dbraw/zinc/69/47/33/446694733.db2.gz ZPNSHWYKBYMDQQ-UHFFFAOYSA-N 2 1 335.496 1.702 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)C(CC)(CC)C[NH3+])CC2)cn1 ZINC000423768048 446694738 /nfs/dbraw/zinc/69/47/38/446694738.db2.gz ZPNSHWYKBYMDQQ-UHFFFAOYSA-N 2 1 335.496 1.702 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000423801682 446699318 /nfs/dbraw/zinc/69/93/18/446699318.db2.gz NNNIAQUYFLTISO-PASDCYSWSA-N 2 1 337.508 1.756 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000423835523 446723107 /nfs/dbraw/zinc/72/31/07/446723107.db2.gz VRDMVRPNTWQTNK-LZWOXQAQSA-N 2 1 325.840 1.565 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000423835523 446723109 /nfs/dbraw/zinc/72/31/09/446723109.db2.gz VRDMVRPNTWQTNK-LZWOXQAQSA-N 2 1 325.840 1.565 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)[nH+]c1 ZINC000368245932 446737154 /nfs/dbraw/zinc/73/71/54/446737154.db2.gz ZZDGMKDUEDTHPI-IAGOWNOFSA-N 2 1 328.460 1.674 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)C1(C[NH3+])CCCC1 ZINC000423926188 446777239 /nfs/dbraw/zinc/77/72/39/446777239.db2.gz CPILVLGFAZUMPH-DOTOQJQBSA-N 2 1 347.507 1.781 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[C@@H](C)[NH3+] ZINC000423930676 446782557 /nfs/dbraw/zinc/78/25/57/446782557.db2.gz LGRBZXBVHRCMCR-CYGHRXIMSA-N 2 1 349.523 1.881 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000420745663 446788039 /nfs/dbraw/zinc/78/80/39/446788039.db2.gz ZDJDXMSQVSTYTE-OAHLLOKOSA-N 2 1 325.478 1.463 20 0 EDADMP Cc1noc(C2CCC([NH2+]CCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000368361700 446811649 /nfs/dbraw/zinc/81/16/49/446811649.db2.gz DHFPNLOIOYXRGG-UHFFFAOYSA-N 2 1 335.452 1.158 20 0 EDADMP C[C@H]1C[N@H+](CCCNC(=O)NCc2c[nH+]c3n2CCCC3)CCCO1 ZINC000376965691 446827954 /nfs/dbraw/zinc/82/79/54/446827954.db2.gz WGQVUXRMDRXMDD-HNNXBMFYSA-N 2 1 349.479 1.520 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NCc2c[nH+]c3n2CCCC3)CCCO1 ZINC000376965691 446827957 /nfs/dbraw/zinc/82/79/57/446827957.db2.gz WGQVUXRMDRXMDD-HNNXBMFYSA-N 2 1 349.479 1.520 20 0 EDADMP [NH3+]CC1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CCCC1 ZINC000424036392 446828356 /nfs/dbraw/zinc/82/83/56/446828356.db2.gz HGOUFXNJHAZXOA-UHFFFAOYSA-N 2 1 344.503 1.615 20 0 EDADMP O[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000368394012 446835058 /nfs/dbraw/zinc/83/50/58/446835058.db2.gz RVMQFEONGZLBDB-KRWDZBQOSA-N 2 1 338.423 1.018 20 0 EDADMP CC(C)c1cc(NCCN2CC[N@@H+](C)C(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000440680537 446851135 /nfs/dbraw/zinc/85/11/35/446851135.db2.gz YGJZAGCFOGHGFE-UHFFFAOYSA-N 2 1 334.512 2.104 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000368439401 446862843 /nfs/dbraw/zinc/86/28/43/446862843.db2.gz UKHWNWIDXSKQSF-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP OCC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)COC1 ZINC000368444765 446866625 /nfs/dbraw/zinc/86/66/25/446866625.db2.gz CUEJQUYFOJWNMF-RTBURBONSA-N 2 1 330.472 1.982 20 0 EDADMP OCC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)COC1 ZINC000368444765 446866628 /nfs/dbraw/zinc/86/66/28/446866628.db2.gz CUEJQUYFOJWNMF-RTBURBONSA-N 2 1 330.472 1.982 20 0 EDADMP OCC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)COC1 ZINC000368444765 446866631 /nfs/dbraw/zinc/86/66/31/446866631.db2.gz CUEJQUYFOJWNMF-RTBURBONSA-N 2 1 330.472 1.982 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420906766 446881318 /nfs/dbraw/zinc/88/13/18/446881318.db2.gz DBAHSJQGTOWGKD-UYSNPLJNSA-N 2 1 326.485 1.269 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH3+])cc1 ZINC000419045035 446882936 /nfs/dbraw/zinc/88/29/36/446882936.db2.gz VMRLZTIUMYVTCZ-CHWSQXEVSA-N 2 1 343.431 1.069 20 0 EDADMP OCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCOCC1 ZINC000420916668 446888168 /nfs/dbraw/zinc/88/81/68/446888168.db2.gz HZTKXGFJSMRKFD-UHFFFAOYSA-N 2 1 334.460 1.492 20 0 EDADMP OCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCOCC1 ZINC000420916668 446888174 /nfs/dbraw/zinc/88/81/74/446888174.db2.gz HZTKXGFJSMRKFD-UHFFFAOYSA-N 2 1 334.460 1.492 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1CN2CCCC[C@H]2CO1)C1=CC[N@@H+](C)CC1 ZINC000371574874 446932405 /nfs/dbraw/zinc/93/24/05/446932405.db2.gz NEGWWZXVYYQWMN-XIRDDKMYSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)C1=CC[NH+](C)CC1 ZINC000371574874 446932412 /nfs/dbraw/zinc/93/24/12/446932412.db2.gz NEGWWZXVYYQWMN-XIRDDKMYSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)C1=CC[NH+](C)CC1 ZINC000371574874 446932418 /nfs/dbraw/zinc/93/24/18/446932418.db2.gz NEGWWZXVYYQWMN-XIRDDKMYSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[NH+]2CCCC[C@H]2CO1)C1=CC[N@@H+](C)CC1 ZINC000371574874 446932429 /nfs/dbraw/zinc/93/24/29/446932429.db2.gz NEGWWZXVYYQWMN-XIRDDKMYSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000371579920 446935148 /nfs/dbraw/zinc/93/51/48/446935148.db2.gz MCTZBWVMQAADPY-WBVHZDCISA-N 2 1 349.523 1.105 20 0 EDADMP C[C@@H](NC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000371579920 446935154 /nfs/dbraw/zinc/93/51/54/446935154.db2.gz MCTZBWVMQAADPY-WBVHZDCISA-N 2 1 349.523 1.105 20 0 EDADMP C[C@@H](NC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000371579920 446935161 /nfs/dbraw/zinc/93/51/61/446935161.db2.gz MCTZBWVMQAADPY-WBVHZDCISA-N 2 1 349.523 1.105 20 0 EDADMP C[C@@H](NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000371579920 446935162 /nfs/dbraw/zinc/93/51/62/446935162.db2.gz MCTZBWVMQAADPY-WBVHZDCISA-N 2 1 349.523 1.105 20 0 EDADMP C[C@@H](NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000371579920 446935169 /nfs/dbraw/zinc/93/51/69/446935169.db2.gz MCTZBWVMQAADPY-WBVHZDCISA-N 2 1 349.523 1.105 20 0 EDADMP CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420967653 446936659 /nfs/dbraw/zinc/93/66/59/446936659.db2.gz USWMOCBMOGBYSF-IBGZPJMESA-N 2 1 331.460 1.477 20 0 EDADMP CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420967653 446936664 /nfs/dbraw/zinc/93/66/64/446936664.db2.gz USWMOCBMOGBYSF-IBGZPJMESA-N 2 1 331.460 1.477 20 0 EDADMP C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442771165 446961530 /nfs/dbraw/zinc/96/15/30/446961530.db2.gz RESKNBQXASNFNP-QXSJWSMHSA-N 2 1 347.459 1.342 20 0 EDADMP C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442771165 446961535 /nfs/dbraw/zinc/96/15/35/446961535.db2.gz RESKNBQXASNFNP-QXSJWSMHSA-N 2 1 347.459 1.342 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000419148667 446964545 /nfs/dbraw/zinc/96/45/45/446964545.db2.gz DMNKDHNQHGFOBH-XHSDSOJGSA-N 2 1 338.496 1.001 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCC(C)CC1 ZINC000377173649 446969995 /nfs/dbraw/zinc/96/99/95/446969995.db2.gz PJRIPSJUFMCEPZ-BRWVUGGUSA-N 2 1 338.496 1.269 20 0 EDADMP CN(Cc1ccnc(N)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000375736819 447011135 /nfs/dbraw/zinc/01/11/35/447011135.db2.gz SHQPXZLAVWAFKA-LJQANCHMSA-N 2 1 326.444 1.733 20 0 EDADMP O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000375693457 446981904 /nfs/dbraw/zinc/98/19/04/446981904.db2.gz SCTAMBBNDKMDOH-IAGOWNOFSA-N 2 1 336.480 1.191 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000375693457 446981908 /nfs/dbraw/zinc/98/19/08/446981908.db2.gz SCTAMBBNDKMDOH-IAGOWNOFSA-N 2 1 336.480 1.191 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000419187278 446999586 /nfs/dbraw/zinc/99/95/86/446999586.db2.gz FUEFFGULHOKHEF-WBVHZDCISA-N 2 1 348.491 1.113 20 0 EDADMP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000375783825 447044443 /nfs/dbraw/zinc/04/44/43/447044443.db2.gz ANJNVOCCZAERSM-GDBMZVCRSA-N 2 1 349.479 1.193 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000413174533 447049253 /nfs/dbraw/zinc/04/92/53/447049253.db2.gz QFSDUKRSQSLJPU-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000413174533 447049258 /nfs/dbraw/zinc/04/92/58/447049258.db2.gz QFSDUKRSQSLJPU-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000413174533 447049264 /nfs/dbraw/zinc/04/92/64/447049264.db2.gz QFSDUKRSQSLJPU-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000413174533 447049269 /nfs/dbraw/zinc/04/92/69/447049269.db2.gz QFSDUKRSQSLJPU-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000368795423 447112226 /nfs/dbraw/zinc/11/22/26/447112226.db2.gz GBLUTKJQLDEHNP-BPQIPLTHSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H](NC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)C(C)(C)C[NH+](C)C ZINC000372493776 447087008 /nfs/dbraw/zinc/08/70/08/447087008.db2.gz ABOWQLITUZCMCF-OAHLLOKOSA-N 2 1 342.528 1.451 20 0 EDADMP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC[N@@H+](C)C2CCCCC2)C1(C)C ZINC000444179168 447090611 /nfs/dbraw/zinc/09/06/11/447090611.db2.gz YLEWCYVVXWAGKT-YJBOKZPZSA-N 2 1 325.497 1.900 20 0 EDADMP CN(OCc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368826284 447137158 /nfs/dbraw/zinc/13/71/58/447137158.db2.gz UVDPROSUCNLTIL-KRWDZBQOSA-N 2 1 346.475 1.928 20 0 EDADMP CN(OCc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368826284 447137165 /nfs/dbraw/zinc/13/71/65/447137165.db2.gz UVDPROSUCNLTIL-KRWDZBQOSA-N 2 1 346.475 1.928 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000372565516 447145276 /nfs/dbraw/zinc/14/52/76/447145276.db2.gz BLISJYCNIHNTPF-SCFUHWHPSA-N 2 1 334.464 1.476 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000419404381 447154387 /nfs/dbraw/zinc/15/43/87/447154387.db2.gz GDGHKTLNWFQFSK-GDBMZVCRSA-N 2 1 338.496 1.001 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000419404750 447155582 /nfs/dbraw/zinc/15/55/82/447155582.db2.gz GHKUUUZIEUXDIM-HOTGVXAUSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCC(C)CC3)C2)CC1 ZINC000375899302 447131222 /nfs/dbraw/zinc/13/12/22/447131222.db2.gz BTEQDQIUAZQBBE-GOSISDBHSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCC(C)CC3)C2)CC1 ZINC000375899302 447131224 /nfs/dbraw/zinc/13/12/24/447131224.db2.gz BTEQDQIUAZQBBE-GOSISDBHSA-N 2 1 336.524 1.345 20 0 EDADMP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375901112 447133292 /nfs/dbraw/zinc/13/32/92/447133292.db2.gz AWFUAHDWMNCUIO-WMZOPIPTSA-N 2 1 338.540 1.780 20 0 EDADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375901112 447133296 /nfs/dbraw/zinc/13/32/96/447133296.db2.gz AWFUAHDWMNCUIO-WMZOPIPTSA-N 2 1 338.540 1.780 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419444110 447180516 /nfs/dbraw/zinc/18/05/16/447180516.db2.gz SQEIBTBOVSWDDD-BZUAXINKSA-N 2 1 328.501 1.059 20 0 EDADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cn2cc[nH+]c12 ZINC000455614847 447185063 /nfs/dbraw/zinc/18/50/63/447185063.db2.gz HIAJRYKFZIBPLX-OAHLLOKOSA-N 2 1 331.420 1.611 20 0 EDADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)cn2cc[nH+]c12 ZINC000455614847 447185067 /nfs/dbraw/zinc/18/50/67/447185067.db2.gz HIAJRYKFZIBPLX-OAHLLOKOSA-N 2 1 331.420 1.611 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000377559608 447204854 /nfs/dbraw/zinc/20/48/54/447204854.db2.gz CAWXTDCWTWOHIO-BPQIPLTHSA-N 2 1 330.476 1.798 20 0 EDADMP C[C@@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000455670018 447206324 /nfs/dbraw/zinc/20/63/24/447206324.db2.gz OXIGBZHYPUPBTB-CABCVRRESA-N 2 1 336.484 1.687 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419478405 447210770 /nfs/dbraw/zinc/21/07/70/447210770.db2.gz JOLWKXQAPUOTCS-CVEARBPZSA-N 2 1 338.496 1.097 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000368990094 447250417 /nfs/dbraw/zinc/25/04/17/447250417.db2.gz DWYNQJABDWPVGT-DLBZAZTESA-N 2 1 349.479 1.382 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000425653494 447253998 /nfs/dbraw/zinc/25/39/98/447253998.db2.gz OADCIYNEKXNVGM-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000446055398 447221762 /nfs/dbraw/zinc/22/17/62/447221762.db2.gz RINVUKPTYFDZSE-HNNXBMFYSA-N 2 1 344.459 1.082 20 0 EDADMP C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)n2)CC1 ZINC000376040920 447229451 /nfs/dbraw/zinc/22/94/51/447229451.db2.gz CXMCAJJYSHOQRH-HOCLYGCPSA-N 2 1 346.479 1.898 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)C(C)C ZINC000419504017 447229474 /nfs/dbraw/zinc/22/94/74/447229474.db2.gz UNFSQSFLNADWBM-IRXDYDNUSA-N 2 1 342.528 1.592 20 0 EDADMP C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1=CC[N@@H+](C)CC1 ZINC000376040706 447229680 /nfs/dbraw/zinc/22/96/80/447229680.db2.gz BSBYEJMEUNRCHD-AWEZNQCLSA-N 2 1 346.479 1.922 20 0 EDADMP C[C@H](CCNC(=O)COC1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000379667742 447452869 /nfs/dbraw/zinc/45/28/69/447452869.db2.gz BUMQCZYMHMKQRA-MRXNPFEDSA-N 2 1 333.476 1.782 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379647499 447453812 /nfs/dbraw/zinc/45/38/12/447453812.db2.gz KIGSTHPHEBPZCS-RLLQIKCJSA-N 2 1 347.503 1.322 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000379647499 447453816 /nfs/dbraw/zinc/45/38/16/447453816.db2.gz KIGSTHPHEBPZCS-RLLQIKCJSA-N 2 1 347.503 1.322 20 0 EDADMP COCC1(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000390006661 447489599 /nfs/dbraw/zinc/48/95/99/447489599.db2.gz XAAXCNXMXKQFPV-AEFFLSMTSA-N 2 1 345.487 1.639 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415512599 447489802 /nfs/dbraw/zinc/48/98/02/447489802.db2.gz UQCUGYQMCFYCMM-LSDHHAIUSA-N 2 1 346.475 1.568 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCC[NH+]1CCCOCC1 ZINC000458847847 447490012 /nfs/dbraw/zinc/49/00/12/447490012.db2.gz QWSOENVWAIJSFD-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000458847847 447490019 /nfs/dbraw/zinc/49/00/19/447490019.db2.gz QWSOENVWAIJSFD-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000458847847 447490022 /nfs/dbraw/zinc/49/00/22/447490022.db2.gz QWSOENVWAIJSFD-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP O=C(COC1CC[NH2+]CC1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390756742 447496354 /nfs/dbraw/zinc/49/63/54/447496354.db2.gz WVBGRFBASXFEKW-KRWDZBQOSA-N 2 1 331.460 1.536 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390906468 447506019 /nfs/dbraw/zinc/50/60/19/447506019.db2.gz SCWXMADHZYPSPH-JQHSSLGASA-N 2 1 331.460 1.392 20 0 EDADMP COc1ccc(-c2noc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)n2)nn1 ZINC000450503490 447509573 /nfs/dbraw/zinc/50/95/73/447509573.db2.gz RUDAKBIIJJPBDW-JSGCOSHPSA-N 2 1 344.419 1.451 20 0 EDADMP O=C(C[C@H]1CC[NH2+]C1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000427292617 447575630 /nfs/dbraw/zinc/57/56/30/447575630.db2.gz SABABFXURKLSSI-LJQANCHMSA-N 2 1 344.503 1.310 20 0 EDADMP CC(=O)[C@@](C)(O)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000450569734 447529382 /nfs/dbraw/zinc/52/93/82/447529382.db2.gz PPHHDBJEWZCKQI-IBGZPJMESA-N 2 1 349.475 1.089 20 0 EDADMP COCC1(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000396372548 447542433 /nfs/dbraw/zinc/54/24/33/447542433.db2.gz LQHGKFBDIZGHDG-QGZVFWFLSA-N 2 1 345.487 1.736 20 0 EDADMP COCC1(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000396372548 447542439 /nfs/dbraw/zinc/54/24/39/447542439.db2.gz LQHGKFBDIZGHDG-QGZVFWFLSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000398104267 447556597 /nfs/dbraw/zinc/55/65/97/447556597.db2.gz AZMFDAIWHKFNCB-APWZRJJASA-N 2 1 345.487 1.782 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1CCO ZINC000427212522 447563275 /nfs/dbraw/zinc/56/32/75/447563275.db2.gz MDSDXUQUYKNRFO-KRWDZBQOSA-N 2 1 345.487 1.811 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1CCO ZINC000427212522 447563282 /nfs/dbraw/zinc/56/32/82/447563282.db2.gz MDSDXUQUYKNRFO-KRWDZBQOSA-N 2 1 345.487 1.811 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000416305297 447566336 /nfs/dbraw/zinc/56/63/36/447566336.db2.gz AVGWBYMBSJOVOM-KRWDZBQOSA-N 2 1 331.460 1.395 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NC(C)(C)C[NH+](C)C)C[C@H](C)O1 ZINC000457573107 447600503 /nfs/dbraw/zinc/60/05/03/447600503.db2.gz SDCFXSCTRLXOPG-KBPBESRZSA-N 2 1 328.501 1.514 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000427468224 447601672 /nfs/dbraw/zinc/60/16/72/447601672.db2.gz AMASOHBWVBFDJG-IBGZPJMESA-N 2 1 349.519 1.964 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000422537068 447624807 /nfs/dbraw/zinc/62/48/07/447624807.db2.gz DVRQTYUQFBVVTO-INIZCTEOSA-N 2 1 340.512 1.023 20 0 EDADMP C[C@@H]1CCC[C@@](CNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)([NH+](C)C)C1 ZINC000458002665 447694153 /nfs/dbraw/zinc/69/41/53/447694153.db2.gz NELDOEXZJJXUFM-SOLBZPMBSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1CCC[C@@](CNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)([NH+](C)C)C1 ZINC000458002665 447694160 /nfs/dbraw/zinc/69/41/60/447694160.db2.gz NELDOEXZJJXUFM-SOLBZPMBSA-N 2 1 340.512 1.205 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)CCc2cn[nH]c2)cc[nH+]1 ZINC000459414738 447657938 /nfs/dbraw/zinc/65/79/38/447657938.db2.gz QWKWQZQFKPSTTI-GJZGRUSLSA-N 2 1 347.442 1.357 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)CCc2cn[nH]c2)cc[nH+]1 ZINC000459414738 447657942 /nfs/dbraw/zinc/65/79/42/447657942.db2.gz QWKWQZQFKPSTTI-GJZGRUSLSA-N 2 1 347.442 1.357 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC(C)(C)CC[NH3+] ZINC000422604849 447666504 /nfs/dbraw/zinc/66/65/04/447666504.db2.gz OXXCCHCDGHFQAF-MRXNPFEDSA-N 2 1 347.507 1.624 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N(C)CC(C)(C)C[NH3+])n1 ZINC000420202528 447667812 /nfs/dbraw/zinc/66/78/12/447667812.db2.gz JKRXSNULZQUMDQ-HOCLYGCPSA-N 2 1 335.496 2.513 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccco1 ZINC000416809465 447689922 /nfs/dbraw/zinc/68/99/22/447689922.db2.gz JBHOHTROLDZYRD-GVDBMIGSSA-N 2 1 342.443 1.937 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC1([NH3+])CCCCC1)[NH+]1CCOCC1 ZINC000416940663 447716930 /nfs/dbraw/zinc/71/69/30/447716930.db2.gz PGJWBFBUMNYEMM-OAHLLOKOSA-N 2 1 326.485 1.304 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C2CCC2)C2CCC2)C1 ZINC000429124212 447728640 /nfs/dbraw/zinc/72/86/40/447728640.db2.gz ZBCLRSAOQBAOQR-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@@H+](CCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)C1CCCCC1 ZINC000417016214 447729614 /nfs/dbraw/zinc/72/96/14/447729614.db2.gz OAPIKIXHSUMTNZ-CQSZACIVSA-N 2 1 332.439 1.937 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000417010521 447729883 /nfs/dbraw/zinc/72/98/83/447729883.db2.gz PJZVDXNSCKBHDH-SJLPKXTDSA-N 2 1 330.476 1.861 20 0 EDADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000422789665 447750096 /nfs/dbraw/zinc/75/00/96/447750096.db2.gz OUPCAIUZHUZKJE-KBXCAEBGSA-N 2 1 327.428 1.599 20 0 EDADMP O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C[N@H+]1CCc2ccccc2C1 ZINC000422969599 447784024 /nfs/dbraw/zinc/78/40/24/447784024.db2.gz USRFNTDCVPGUQN-XRXFAXGQSA-N 2 1 343.515 1.916 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CN1CCc2ccccc2C1 ZINC000422969599 447784026 /nfs/dbraw/zinc/78/40/26/447784026.db2.gz USRFNTDCVPGUQN-XRXFAXGQSA-N 2 1 343.515 1.916 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)[C@@H](C)C1 ZINC000430798156 447786130 /nfs/dbraw/zinc/78/61/30/447786130.db2.gz SCFLUCLZZAPFTG-BBRMVZONSA-N 2 1 334.468 1.005 20 0 EDADMP COc1ccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000422985428 447787315 /nfs/dbraw/zinc/78/73/15/447787315.db2.gz DSNNHGXJUQXGPK-GUDVDZBRSA-N 2 1 334.460 1.959 20 0 EDADMP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@@]3(CCOC3)C1)C[NH+]1CCC2CC1 ZINC000496668932 447844931 /nfs/dbraw/zinc/84/49/31/447844931.db2.gz UGWPCGPAYDXPSQ-MSOLQXFVSA-N 2 1 335.448 1.363 20 0 EDADMP O=C1O[C@]2(CN1C[N@H+]1CCC[C@@]3(CCOC3)C1)C[NH+]1CCC2CC1 ZINC000496668932 447844932 /nfs/dbraw/zinc/84/49/32/447844932.db2.gz UGWPCGPAYDXPSQ-MSOLQXFVSA-N 2 1 335.448 1.363 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000523005253 447867604 /nfs/dbraw/zinc/86/76/04/447867604.db2.gz MWIQTGMRHUIOLP-QGZVFWFLSA-N 2 1 339.528 1.044 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000523005253 447867607 /nfs/dbraw/zinc/86/76/07/447867607.db2.gz MWIQTGMRHUIOLP-QGZVFWFLSA-N 2 1 339.528 1.044 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000523005253 447867610 /nfs/dbraw/zinc/86/76/10/447867610.db2.gz MWIQTGMRHUIOLP-QGZVFWFLSA-N 2 1 339.528 1.044 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH+](C2CC2)CC1 ZINC000523340437 447880490 /nfs/dbraw/zinc/88/04/90/447880490.db2.gz UPUMQSTXWMPGQN-QGZVFWFLSA-N 2 1 328.460 1.600 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[NH+](C2CC2)CC1 ZINC000523340437 447880496 /nfs/dbraw/zinc/88/04/96/447880496.db2.gz UPUMQSTXWMPGQN-QGZVFWFLSA-N 2 1 328.460 1.600 20 0 EDADMP C[N@@H+]1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c2ccccc2C1 ZINC000575804876 447902688 /nfs/dbraw/zinc/90/26/88/447902688.db2.gz CKRBSHFNEGKOPO-OAHLLOKOSA-N 2 1 340.431 1.122 20 0 EDADMP C[N@H+]1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c2ccccc2C1 ZINC000575804876 447902695 /nfs/dbraw/zinc/90/26/95/447902695.db2.gz CKRBSHFNEGKOPO-OAHLLOKOSA-N 2 1 340.431 1.122 20 0 EDADMP COc1ccc(COC[C@@H](O)C[NH2+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000575982719 447943162 /nfs/dbraw/zinc/94/31/62/447943162.db2.gz KNQUEUMQIVUYTN-GJZGRUSLSA-N 2 1 331.416 1.443 20 0 EDADMP CC(C)C[NH+]1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524394792 447928459 /nfs/dbraw/zinc/92/84/59/447928459.db2.gz HXRFQUHMXYPGRX-HXUWFJFHSA-N 2 1 345.487 1.424 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000553198922 447976798 /nfs/dbraw/zinc/97/67/98/447976798.db2.gz IIDBAXHQMWEYAG-UHFFFAOYSA-N 2 1 325.497 1.535 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000553198922 447976802 /nfs/dbraw/zinc/97/68/02/447976802.db2.gz IIDBAXHQMWEYAG-UHFFFAOYSA-N 2 1 325.497 1.535 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[NH+](C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000531106641 448020470 /nfs/dbraw/zinc/02/04/70/448020470.db2.gz LETNUFLESCPQNT-SJLPKXTDSA-N 2 1 348.491 1.479 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[NH+](C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000531106641 448020474 /nfs/dbraw/zinc/02/04/74/448020474.db2.gz LETNUFLESCPQNT-SJLPKXTDSA-N 2 1 348.491 1.479 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000576403735 448045903 /nfs/dbraw/zinc/04/59/03/448045903.db2.gz XUSHWEHAZDRYSU-IRXDYDNUSA-N 3 1 336.524 1.297 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(O)CCCC3)CC2)CC1 ZINC000570736555 448056668 /nfs/dbraw/zinc/05/66/68/448056668.db2.gz FVUVTYXLRYBXCB-UHFFFAOYSA-N 2 1 337.508 1.604 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000576611665 448098091 /nfs/dbraw/zinc/09/80/91/448098091.db2.gz WYBCEFQGENFJKO-YJBOKZPZSA-N 2 1 330.476 1.905 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC000502749774 448104423 /nfs/dbraw/zinc/10/44/23/448104423.db2.gz JUNLBTGBXCYLAA-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)C1=O ZINC000576697268 448116508 /nfs/dbraw/zinc/11/65/08/448116508.db2.gz XSKRCPQAABHBSO-CUGJGTHOSA-N 2 1 331.460 1.210 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000571184149 448120362 /nfs/dbraw/zinc/12/03/62/448120362.db2.gz UMXMYGYVYUJJEE-KBAYOESNSA-N 2 1 330.476 1.887 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000571184414 448121837 /nfs/dbraw/zinc/12/18/37/448121837.db2.gz YFYSKNPDVKKYGC-MSOLQXFVSA-N 2 1 346.475 1.329 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000526967421 448127690 /nfs/dbraw/zinc/12/76/90/448127690.db2.gz NOQKLBFLQBLDHU-CQSZACIVSA-N 2 1 333.436 1.016 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000526975134 448128827 /nfs/dbraw/zinc/12/88/27/448128827.db2.gz JMKVSFLJPWQTQY-CQSZACIVSA-N 2 1 347.463 1.405 20 0 EDADMP C[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000576801596 448141515 /nfs/dbraw/zinc/14/15/15/448141515.db2.gz WSRQKHWMIZNKFD-GJZGRUSLSA-N 2 1 326.485 1.269 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@]3(CCSC3)C2)CC1 ZINC000571400654 448146940 /nfs/dbraw/zinc/14/69/40/448146940.db2.gz TYQAEHOYFBXAGV-QGZVFWFLSA-N 2 1 327.538 1.610 20 0 EDADMP CC[C@@H](CO)N1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576954074 448179935 /nfs/dbraw/zinc/17/99/35/448179935.db2.gz DQRRVVLZXHGESX-OALUTQOASA-N 2 1 345.487 1.424 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000576954074 448179936 /nfs/dbraw/zinc/17/99/36/448179936.db2.gz DQRRVVLZXHGESX-OALUTQOASA-N 2 1 345.487 1.424 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576954074 448179938 /nfs/dbraw/zinc/17/99/38/448179938.db2.gz DQRRVVLZXHGESX-OALUTQOASA-N 2 1 345.487 1.424 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NCC[C@H]3CC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000571626062 448181984 /nfs/dbraw/zinc/18/19/84/448181984.db2.gz PNBMJFGOICPBPZ-OAHLLOKOSA-N 2 1 346.479 1.361 20 0 EDADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000514727315 448194922 /nfs/dbraw/zinc/19/49/22/448194922.db2.gz SUKSPSSXMLJJPY-OAGGEKHMSA-N 2 1 347.459 1.344 20 0 EDADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000514727315 448194925 /nfs/dbraw/zinc/19/49/25/448194925.db2.gz SUKSPSSXMLJJPY-OAGGEKHMSA-N 2 1 347.459 1.344 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000515055629 448249526 /nfs/dbraw/zinc/24/95/26/448249526.db2.gz ZBTAIEBXUZEAPH-WMZOPIPTSA-N 2 1 349.475 1.706 20 0 EDADMP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000572138904 448300182 /nfs/dbraw/zinc/30/01/82/448300182.db2.gz ZFMBJCKQCDZNGK-PBHICJAKSA-N 2 1 342.447 1.251 20 0 EDADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000572138904 448300190 /nfs/dbraw/zinc/30/01/90/448300190.db2.gz ZFMBJCKQCDZNGK-PBHICJAKSA-N 2 1 342.447 1.251 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000591409574 448354831 /nfs/dbraw/zinc/35/48/31/448354831.db2.gz UCDMTKWMGFITPQ-NJAFHUGGSA-N 2 1 346.475 1.452 20 0 EDADMP C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000516653806 448458169 /nfs/dbraw/zinc/45/81/69/448458169.db2.gz WPFREIDWHHXPFZ-LPHOPBHVSA-N 2 1 344.503 1.438 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC[N@H+]1CCOC ZINC000584400520 448511729 /nfs/dbraw/zinc/51/17/29/448511729.db2.gz RQKLIJAUCRMZOT-UONOGXRCSA-N 2 1 348.438 1.126 20 0 EDADMP Cc1cccn2c(=O)cc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)nc12 ZINC000584411707 448518473 /nfs/dbraw/zinc/51/84/73/448518473.db2.gz PPXOWPLZDKLXJD-OAHLLOKOSA-N 2 1 342.443 1.190 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000517233968 448558881 /nfs/dbraw/zinc/55/88/81/448558881.db2.gz LLMCNGLMTJGUHA-RYRKJORJSA-N 2 1 330.476 1.311 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](c2nccn2C)C2CC2)CC[N@H+]1C[C@@H](C)O ZINC000566729380 448546034 /nfs/dbraw/zinc/54/60/34/448546034.db2.gz KHRGFKGIROALAV-FVQBIDKESA-N 2 1 349.479 1.358 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000566923767 448587324 /nfs/dbraw/zinc/58/73/24/448587324.db2.gz JZRJYPQICQTJAD-ZBFHGGJFSA-N 2 1 325.522 1.757 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584664507 448592215 /nfs/dbraw/zinc/59/22/15/448592215.db2.gz HVMYRFLYEPCAMJ-KRWDZBQOSA-N 2 1 341.459 1.905 20 0 EDADMP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CC[NH2+]Cc2ccccc21 ZINC000517567515 448594024 /nfs/dbraw/zinc/59/40/24/448594024.db2.gz JDXDYMSXNUOBLU-HNNXBMFYSA-N 2 1 325.416 1.558 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573321354 448598207 /nfs/dbraw/zinc/59/82/07/448598207.db2.gz ISUDHLVTVHVYKS-ONIAQPFYSA-N 2 1 333.476 1.766 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573321354 448598213 /nfs/dbraw/zinc/59/82/13/448598213.db2.gz ISUDHLVTVHVYKS-ONIAQPFYSA-N 2 1 333.476 1.766 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)C1=O ZINC000584816627 448640057 /nfs/dbraw/zinc/64/00/57/448640057.db2.gz WZKCQODJLZLCPO-ZWKOTPCHSA-N 2 1 343.471 1.945 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cscn1 ZINC000578984583 448685397 /nfs/dbraw/zinc/68/53/97/448685397.db2.gz KUMTZZRNMPXZQT-CYBMUJFWSA-N 2 1 346.522 1.180 20 0 EDADMP C[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000518527984 448688655 /nfs/dbraw/zinc/68/86/55/448688655.db2.gz NBZFCGSVDWZLJT-JENIJYKNSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000518527984 448688659 /nfs/dbraw/zinc/68/86/59/448688659.db2.gz NBZFCGSVDWZLJT-JENIJYKNSA-N 2 1 345.487 1.782 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)COc1cccc2[nH]ccc21 ZINC000518535101 448690101 /nfs/dbraw/zinc/69/01/01/448690101.db2.gz WXGQTEHKIAROBU-HZPDHXFCSA-N 2 1 347.459 1.344 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc3nccnc3n2)CC1 ZINC000573780344 448708519 /nfs/dbraw/zinc/70/85/19/448708519.db2.gz IXVKCASVRGGFQW-UHFFFAOYSA-N 2 1 349.398 1.424 20 0 EDADMP CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1Br ZINC000567638883 448727808 /nfs/dbraw/zinc/72/78/08/448727808.db2.gz RBTHXZMJYBZLSN-CQSZACIVSA-N 2 1 340.265 1.922 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000519179003 448751338 /nfs/dbraw/zinc/75/13/38/448751338.db2.gz UGDQVRBRCGKHAQ-PBHICJAKSA-N 2 1 337.533 1.804 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000529288879 448809442 /nfs/dbraw/zinc/80/94/42/448809442.db2.gz NPCCZDUOOJXHNN-XHSDSOJGSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529296973 448811919 /nfs/dbraw/zinc/81/19/19/448811919.db2.gz HAXVPCYKEASXFU-WBVHZDCISA-N 2 1 346.475 1.629 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000519694033 448820365 /nfs/dbraw/zinc/82/03/65/448820365.db2.gz RHVHNZZDZKFPIY-OAHLLOKOSA-N 2 1 334.420 1.011 20 0 EDADMP CC[C@H]1C[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)CC[C@H]1[NH3+] ZINC000592489687 448860646 /nfs/dbraw/zinc/86/06/46/448860646.db2.gz ZQNDKOKUDFLDTE-JKSUJKDBSA-N 2 1 332.448 1.462 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000568880153 448935643 /nfs/dbraw/zinc/93/56/43/448935643.db2.gz NOQRAOBZOOUIPI-IEBWSBKVSA-N 2 1 348.487 1.609 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000568880153 448935647 /nfs/dbraw/zinc/93/56/47/448935647.db2.gz NOQRAOBZOOUIPI-IEBWSBKVSA-N 2 1 348.487 1.609 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000574647787 448925044 /nfs/dbraw/zinc/92/50/44/448925044.db2.gz YSQRUDCRLSYXEF-LZLYRXPVSA-N 2 1 327.513 1.168 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000574647787 448925046 /nfs/dbraw/zinc/92/50/46/448925046.db2.gz YSQRUDCRLSYXEF-LZLYRXPVSA-N 3 1 327.513 1.168 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000574647787 448925049 /nfs/dbraw/zinc/92/50/49/448925049.db2.gz YSQRUDCRLSYXEF-LZLYRXPVSA-N 3 1 327.513 1.168 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000574504371 448888365 /nfs/dbraw/zinc/88/83/65/448888365.db2.gz CXQUXPQAJDVKJU-YJBOKZPZSA-N 2 1 330.476 1.905 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000520372329 448889414 /nfs/dbraw/zinc/88/94/14/448889414.db2.gz KKFNPKFWUOMVBR-RBUKOAKNSA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(F)cn2)c1 ZINC000529537932 448893213 /nfs/dbraw/zinc/89/32/13/448893213.db2.gz JHARJUMNOYFOPK-UHFFFAOYSA-N 2 1 330.407 1.802 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000521442933 448987716 /nfs/dbraw/zinc/98/77/16/448987716.db2.gz XHTBBYSEYUIYBS-UHFFFAOYSA-N 2 1 339.443 1.805 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CO1 ZINC000569236483 448988014 /nfs/dbraw/zinc/98/80/14/448988014.db2.gz QAUIQZVXTJUAFX-HCMIALLCSA-N 2 1 336.480 1.116 20 0 EDADMP C[C@H]1C[N@H+](CCCNC(=O)Cn2c[nH+]c3c2CCCC3)CCCO1 ZINC000574745341 448945481 /nfs/dbraw/zinc/94/54/81/448945481.db2.gz SKKHHCSQPDPAMP-HNNXBMFYSA-N 2 1 334.464 1.379 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)Cn2c[nH+]c3c2CCCC3)CCCO1 ZINC000574745341 448945484 /nfs/dbraw/zinc/94/54/84/448945484.db2.gz SKKHHCSQPDPAMP-HNNXBMFYSA-N 2 1 334.464 1.379 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000582071123 449004001 /nfs/dbraw/zinc/00/40/01/449004001.db2.gz IEJJEPNEHBFMPM-MRXNPFEDSA-N 2 1 333.480 1.148 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](CCOC)CCc2ccccc2)CC1 ZINC000521859922 449018905 /nfs/dbraw/zinc/01/89/05/449018905.db2.gz ZWAYJBLRVWIZBY-UHFFFAOYSA-N 2 1 347.503 1.778 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCOC)CCc2ccccc2)CC1 ZINC000521859922 449018912 /nfs/dbraw/zinc/01/89/12/449018912.db2.gz ZWAYJBLRVWIZBY-UHFFFAOYSA-N 2 1 347.503 1.778 20 0 EDADMP COC(=O)c1oc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1C ZINC000600090776 449183423 /nfs/dbraw/zinc/18/34/23/449183423.db2.gz WQZPHUDYCFTBSC-ZDUSSCGKSA-N 2 1 339.436 1.376 20 0 EDADMP COC(=O)c1oc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000600090776 449183429 /nfs/dbraw/zinc/18/34/29/449183429.db2.gz WQZPHUDYCFTBSC-ZDUSSCGKSA-N 2 1 339.436 1.376 20 0 EDADMP COC(=O)CCCN1CCC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000600188233 449233332 /nfs/dbraw/zinc/23/33/32/449233332.db2.gz APXYVQNRWPNHKV-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP COC(=O)CCC[NH+]1CCC(NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000600188233 449233338 /nfs/dbraw/zinc/23/33/38/449233338.db2.gz APXYVQNRWPNHKV-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP COC(=O)CCC[NH+]1CCC(NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000600188233 449233345 /nfs/dbraw/zinc/23/33/45/449233345.db2.gz APXYVQNRWPNHKV-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP CC(C)OC(=O)CC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595911982 449249057 /nfs/dbraw/zinc/24/90/57/449249057.db2.gz VVBOWTDASCQZMH-HNNXBMFYSA-N 2 1 349.479 1.340 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604638443 449265422 /nfs/dbraw/zinc/26/54/22/449265422.db2.gz IXUSERYRNURVST-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1cncn1C)CCC(F)(F)F ZINC000613974274 449402961 /nfs/dbraw/zinc/40/29/61/449402961.db2.gz JMMNKHRHCPFIRW-VXGBXAGGSA-N 2 1 332.370 1.914 20 0 EDADMP CCN(CCNC(=O)[C@@H]1C[C@H]1c1cncn1C)CCC(F)(F)F ZINC000613974274 449402966 /nfs/dbraw/zinc/40/29/66/449402966.db2.gz JMMNKHRHCPFIRW-VXGBXAGGSA-N 2 1 332.370 1.914 20 0 EDADMP CSC1(CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC[NH+](C)CC1 ZINC000602152603 449387801 /nfs/dbraw/zinc/38/78/01/449387801.db2.gz PRHFBSFVWMDKJR-HNNXBMFYSA-N 2 1 325.522 1.947 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000605523910 449390926 /nfs/dbraw/zinc/39/09/26/449390926.db2.gz YDIDFSJYBUSPGZ-QGZVFWFLSA-N 2 1 347.507 1.623 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000617349183 449570136 /nfs/dbraw/zinc/57/01/36/449570136.db2.gz LKYHWXVWINUVOW-MSOLQXFVSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000617349183 449570139 /nfs/dbraw/zinc/57/01/39/449570139.db2.gz LKYHWXVWINUVOW-MSOLQXFVSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000617349183 449570141 /nfs/dbraw/zinc/57/01/41/449570141.db2.gz LKYHWXVWINUVOW-MSOLQXFVSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000617349183 449570144 /nfs/dbraw/zinc/57/01/44/449570144.db2.gz LKYHWXVWINUVOW-MSOLQXFVSA-N 2 1 345.487 1.876 20 0 EDADMP CSC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC[NH+](C)CC1 ZINC000594522653 449561284 /nfs/dbraw/zinc/56/12/84/449561284.db2.gz MYOVLORSOGVRQH-INIZCTEOSA-N 3 1 327.538 1.657 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000594694456 449628529 /nfs/dbraw/zinc/62/85/29/449628529.db2.gz JSIXSYBCEZOINQ-MOPGFXCFSA-N 2 1 342.487 1.894 20 0 EDADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000594694456 449628534 /nfs/dbraw/zinc/62/85/34/449628534.db2.gz JSIXSYBCEZOINQ-MOPGFXCFSA-N 2 1 342.487 1.894 20 0 EDADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000594694456 449628539 /nfs/dbraw/zinc/62/85/39/449628539.db2.gz JSIXSYBCEZOINQ-MOPGFXCFSA-N 2 1 342.487 1.894 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)Oc1ccccc1F ZINC000617504023 449645979 /nfs/dbraw/zinc/64/59/79/449645979.db2.gz FOZRPPPXBDZXER-GJZGRUSLSA-N 2 1 339.455 1.981 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)Oc1ccccc1F ZINC000617504023 449645983 /nfs/dbraw/zinc/64/59/83/449645983.db2.gz FOZRPPPXBDZXER-GJZGRUSLSA-N 2 1 339.455 1.981 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C2)CC1 ZINC000602786656 449808174 /nfs/dbraw/zinc/80/81/74/449808174.db2.gz SKIZDRLTOZFUGF-QZTJIDSGSA-N 2 1 334.508 1.240 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000594942605 449814473 /nfs/dbraw/zinc/81/44/73/449814473.db2.gz KEMMAIZUJVQHRL-BNEJOLLZSA-N 2 1 332.444 1.540 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000608361789 449819447 /nfs/dbraw/zinc/81/94/47/449819447.db2.gz QRRADVCRXJXRAO-SJORKVTESA-N 2 1 341.496 1.007 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000608479647 449851747 /nfs/dbraw/zinc/85/17/47/449851747.db2.gz OOUSZBAMKWYTBL-HKUYNNGSSA-N 2 1 333.476 1.326 20 0 EDADMP CCOC(=O)C[C@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000599347046 449910598 /nfs/dbraw/zinc/91/05/98/449910598.db2.gz QQOQHSUJHMQDNA-SFHVURJKSA-N 2 1 349.475 1.934 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)CC1 ZINC000613211571 450083092 /nfs/dbraw/zinc/08/30/92/450083092.db2.gz WRHOONFQJFQDTO-INIZCTEOSA-N 2 1 345.491 1.565 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)CC1 ZINC000613211571 450083097 /nfs/dbraw/zinc/08/30/97/450083097.db2.gz WRHOONFQJFQDTO-INIZCTEOSA-N 2 1 345.491 1.565 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000618551867 450240326 /nfs/dbraw/zinc/24/03/26/450240326.db2.gz NGVUQVHSANPWKQ-INIZCTEOSA-N 2 1 334.464 1.520 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C[NH+]1CCOCC1 ZINC000625748844 450495762 /nfs/dbraw/zinc/49/57/62/450495762.db2.gz RNOVIYKYOXBGEP-NZSAHSFTSA-N 2 1 345.487 1.416 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C[NH+]1CCOCC1 ZINC000625748844 450495763 /nfs/dbraw/zinc/49/57/63/450495763.db2.gz RNOVIYKYOXBGEP-NZSAHSFTSA-N 2 1 345.487 1.416 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000627363053 450676735 /nfs/dbraw/zinc/67/67/35/450676735.db2.gz DQBPWULAPHSBCD-HRCADAONSA-N 2 1 338.496 1.014 20 0 EDADMP COc1cc2[nH+]c(N[C@@H](C)C3CC[NH+](C)CC3)nc(N)c2cc1OC ZINC000623968776 450654086 /nfs/dbraw/zinc/65/40/86/450654086.db2.gz NYELQFQTKABYKE-NSHDSACASA-N 2 1 345.447 1.793 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000633074212 450659242 /nfs/dbraw/zinc/65/92/42/450659242.db2.gz MRKWQMVFPACREU-GOSISDBHSA-N 2 1 330.476 1.963 20 0 EDADMP Brc1cnccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000629534597 450727689 /nfs/dbraw/zinc/72/76/89/450727689.db2.gz ATKFEFZMTZHCOS-ZDUSSCGKSA-N 2 1 325.254 1.324 20 0 EDADMP Brc1cnccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000629534597 450727693 /nfs/dbraw/zinc/72/76/93/450727693.db2.gz ATKFEFZMTZHCOS-ZDUSSCGKSA-N 2 1 325.254 1.324 20 0 EDADMP Cc1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c(-c2ccnn2C)c1 ZINC000629653477 450771955 /nfs/dbraw/zinc/77/19/55/450771955.db2.gz OQAQABHSRKLOAC-UHFFFAOYSA-N 2 1 338.415 1.640 20 0 EDADMP O=C(CC[N@H+]1CCc2cc(C(F)(F)F)ccc2C1)N1CC[NH2+]CC1 ZINC000629581117 450747414 /nfs/dbraw/zinc/74/74/14/450747414.db2.gz NPLAQPWABOBCDK-UHFFFAOYSA-N 2 1 341.377 1.885 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC2CN(c3ccncn3)C2)[C@@H](C)C1 ZINC000631746065 450747892 /nfs/dbraw/zinc/74/78/92/450747892.db2.gz BDHDVCZXDYSYQD-DOTOQJQBSA-N 2 1 333.480 1.392 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CN(c3ccncn3)C2)[C@@H](C)C1 ZINC000631746065 450747897 /nfs/dbraw/zinc/74/78/97/450747897.db2.gz BDHDVCZXDYSYQD-DOTOQJQBSA-N 2 1 333.480 1.392 20 0 EDADMP COC1(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCC1 ZINC000629647826 450770539 /nfs/dbraw/zinc/77/05/39/450770539.db2.gz BIIIWTDEHGVGMP-HOTGVXAUSA-N 2 1 336.480 1.166 20 0 EDADMP COc1ccc([C@H]2CC[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)cc1F ZINC000629672472 450777400 /nfs/dbraw/zinc/77/74/00/450777400.db2.gz OOUJJFPZZGKMOX-ZBFHGGJFSA-N 2 1 349.450 1.821 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)CC2)c1 ZINC000631840855 450810279 /nfs/dbraw/zinc/81/02/79/450810279.db2.gz VRSSKRGBHBUTFL-IAGOWNOFSA-N 2 1 330.476 1.170 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3C[C@@H](C[NH3+])[C@H](C)C3)CC2)c1 ZINC000631840855 450810281 /nfs/dbraw/zinc/81/02/81/450810281.db2.gz VRSSKRGBHBUTFL-IAGOWNOFSA-N 2 1 330.476 1.170 20 0 EDADMP O=C(CC[C@@H]1CCC[NH2+]C1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000621668400 450824718 /nfs/dbraw/zinc/82/47/18/450824718.db2.gz DOBUXUUJAXJNCH-QFBILLFUSA-N 2 1 345.487 1.649 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3C[C@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000631861029 450830591 /nfs/dbraw/zinc/83/05/91/450830591.db2.gz ULHWXAFPTXJQOS-SJLPKXTDSA-N 2 1 330.476 1.061 20 0 EDADMP c1cnc(CCN2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cn1 ZINC000631873703 450838781 /nfs/dbraw/zinc/83/87/81/450838781.db2.gz UMAWLURVLWBUEQ-UHFFFAOYSA-N 2 1 337.471 1.483 20 0 EDADMP O[C@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624335802 450798700 /nfs/dbraw/zinc/79/87/00/450798700.db2.gz AJSWOAAFZSAVKX-UWHLTILDSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@H]1CC[N@H+](CCN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000624335802 450798703 /nfs/dbraw/zinc/79/87/03/450798703.db2.gz AJSWOAAFZSAVKX-UWHLTILDSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@H]1CC[N@@H+](CCN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000624335802 450798708 /nfs/dbraw/zinc/79/87/08/450798708.db2.gz AJSWOAAFZSAVKX-UWHLTILDSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@H]1CC[NH+](CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624335802 450798711 /nfs/dbraw/zinc/79/87/11/450798711.db2.gz AJSWOAAFZSAVKX-UWHLTILDSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@H]1CC[NH+](CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624335802 450798714 /nfs/dbraw/zinc/79/87/14/450798714.db2.gz AJSWOAAFZSAVKX-UWHLTILDSA-N 2 1 343.515 1.943 20 0 EDADMP CCCn1nccc1NC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000631830447 450802032 /nfs/dbraw/zinc/80/20/32/450802032.db2.gz SJWHVCUNUVLLRG-MRXNPFEDSA-N 2 1 349.479 1.322 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635425524 450930858 /nfs/dbraw/zinc/93/08/58/450930858.db2.gz NCEFEVSGFKCXBZ-UHFFFAOYSA-N 2 1 339.524 1.924 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000626924463 451007405 /nfs/dbraw/zinc/00/74/05/451007405.db2.gz SSQFJOFUVQQARG-WMLDXEAASA-N 2 1 332.448 1.068 20 0 EDADMP C[N@@H+](CCCNC(=O)NCC1([NH3+])CCOCC1)Cc1ccccc1 ZINC000626925686 451008846 /nfs/dbraw/zinc/00/88/46/451008846.db2.gz PIIBIPZFEMUWPW-UHFFFAOYSA-N 2 1 334.464 1.316 20 0 EDADMP CC[NH+](CC)[C@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)CC(C)C ZINC000632098247 451035376 /nfs/dbraw/zinc/03/53/76/451035376.db2.gz XQKCQKSDBHWBOI-HNNXBMFYSA-N 2 1 333.542 1.757 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635558622 451056305 /nfs/dbraw/zinc/05/63/05/451056305.db2.gz BMILORQXCHVSST-GOSISDBHSA-N 2 1 336.524 1.537 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635558622 451056310 /nfs/dbraw/zinc/05/63/10/451056310.db2.gz BMILORQXCHVSST-GOSISDBHSA-N 2 1 336.524 1.537 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635558622 451056315 /nfs/dbraw/zinc/05/63/15/451056315.db2.gz BMILORQXCHVSST-GOSISDBHSA-N 2 1 336.524 1.537 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCOCCC[NH3+] ZINC000626993317 451058395 /nfs/dbraw/zinc/05/83/95/451058395.db2.gz FHBOQQAABPVGCO-SJLPKXTDSA-N 2 1 348.491 1.562 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000626994797 451060881 /nfs/dbraw/zinc/06/08/81/451060881.db2.gz KBGDJJOUOQKAOX-FUHWJXTLSA-N 2 1 348.491 1.575 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000626996864 451062550 /nfs/dbraw/zinc/06/25/50/451062550.db2.gz HGIVZZXXKBGCAU-NMKXLXIOSA-N 2 1 348.413 1.780 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCC2([NH3+])CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000626999070 451064117 /nfs/dbraw/zinc/06/41/17/451064117.db2.gz WFGMJIILLDHFNS-DOTOQJQBSA-N 2 1 346.475 1.457 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000635570340 451069376 /nfs/dbraw/zinc/06/93/76/451069376.db2.gz BGCGQRUBIZBKRI-MRXNPFEDSA-N 2 1 333.480 1.245 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000635570340 451069384 /nfs/dbraw/zinc/06/93/84/451069384.db2.gz BGCGQRUBIZBKRI-MRXNPFEDSA-N 2 1 333.480 1.245 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000627012159 451077570 /nfs/dbraw/zinc/07/75/70/451077570.db2.gz SQWADCOJDRJHQE-JKSUJKDBSA-N 2 1 331.464 1.930 20 0 EDADMP [NH3+]C1(CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000626979231 451046828 /nfs/dbraw/zinc/04/68/28/451046828.db2.gz UMJIYXFGGHZHSG-KRWDZBQOSA-N 2 1 346.475 1.458 20 0 EDADMP [NH3+]C1(CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000627147903 451147222 /nfs/dbraw/zinc/14/72/22/451147222.db2.gz OKDUJPJLHFQTED-UHFFFAOYSA-N 2 1 332.448 1.022 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000622564994 451169977 /nfs/dbraw/zinc/16/99/77/451169977.db2.gz XVYPCEZXVDGPAH-OAHLLOKOSA-N 2 1 346.475 1.469 20 0 EDADMP C[N@H+](CC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@@H]1CCSC1 ZINC000634094150 451189198 /nfs/dbraw/zinc/18/91/98/451189198.db2.gz ZTVUTIVYKSZTEO-OAHLLOKOSA-N 2 1 337.493 1.526 20 0 EDADMP C[N@@H+](CC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@@H]1CCSC1 ZINC000634094150 451189202 /nfs/dbraw/zinc/18/92/02/451189202.db2.gz ZTVUTIVYKSZTEO-OAHLLOKOSA-N 2 1 337.493 1.526 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000635745279 451215690 /nfs/dbraw/zinc/21/56/90/451215690.db2.gz VARRLOYXKVJCQT-HNNXBMFYSA-N 2 1 331.460 1.924 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000635748386 451216289 /nfs/dbraw/zinc/21/62/89/451216289.db2.gz BZFCILLDQLYOCE-DLBZAZTESA-N 2 1 347.507 1.491 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000638087541 451252307 /nfs/dbraw/zinc/25/23/07/451252307.db2.gz STKRYYBRYMJWSU-FNHZYXHNSA-N 2 1 331.460 1.316 20 0 EDADMP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C)N3CC[NH+](C)CC3)C2)c1 ZINC000634272175 451260742 /nfs/dbraw/zinc/26/07/42/451260742.db2.gz AWKVSUSIYHFSIL-IEBWSBKVSA-N 2 1 344.503 1.321 20 0 EDADMP Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)N3CC[NH+](C)CC3)C2)c1 ZINC000634272175 451260747 /nfs/dbraw/zinc/26/07/47/451260747.db2.gz AWKVSUSIYHFSIL-IEBWSBKVSA-N 2 1 344.503 1.321 20 0 EDADMP [NH3+]C[C@@]1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCCOC1 ZINC000638118191 451287209 /nfs/dbraw/zinc/28/72/09/451287209.db2.gz QOROXMICMHJFIF-MJGOQNOKSA-N 2 1 331.460 1.523 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000638121386 451290099 /nfs/dbraw/zinc/29/00/99/451290099.db2.gz FMYOYOIWSIGKCE-PBHICJAKSA-N 2 1 336.505 1.152 20 0 EDADMP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000638130556 451302466 /nfs/dbraw/zinc/30/24/66/451302466.db2.gz JZMURIIGWWZWIC-HIFRSBDPSA-N 2 1 335.448 1.392 20 0 EDADMP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000638130556 451302468 /nfs/dbraw/zinc/30/24/68/451302468.db2.gz JZMURIIGWWZWIC-HIFRSBDPSA-N 2 1 335.448 1.392 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CCC3C[NH2+]C3)C2)cc(OC)c1 ZINC000638131999 451304259 /nfs/dbraw/zinc/30/42/59/451304259.db2.gz SWBZZUMEZYDINK-MRXNPFEDSA-N 2 1 347.459 1.394 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)CCC3C[NH2+]C3)C2)cc(OC)c1 ZINC000638131999 451304264 /nfs/dbraw/zinc/30/42/64/451304264.db2.gz SWBZZUMEZYDINK-MRXNPFEDSA-N 2 1 347.459 1.394 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636562750 451305589 /nfs/dbraw/zinc/30/55/89/451305589.db2.gz CJLQEYXXOASMFF-HZPDHXFCSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636562750 451305592 /nfs/dbraw/zinc/30/55/92/451305592.db2.gz CJLQEYXXOASMFF-HZPDHXFCSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636562750 451305598 /nfs/dbraw/zinc/30/55/98/451305598.db2.gz CJLQEYXXOASMFF-HZPDHXFCSA-N 2 1 326.485 1.007 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635839311 451287883 /nfs/dbraw/zinc/28/78/83/451287883.db2.gz FQAQHYCOOPLYAW-AZUAARDMSA-N 2 1 345.487 1.424 20 0 EDADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635839311 451287894 /nfs/dbraw/zinc/28/78/94/451287894.db2.gz FQAQHYCOOPLYAW-AZUAARDMSA-N 2 1 345.487 1.424 20 0 EDADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635839311 451287901 /nfs/dbraw/zinc/28/79/01/451287901.db2.gz FQAQHYCOOPLYAW-AZUAARDMSA-N 2 1 345.487 1.424 20 0 EDADMP C[NH+](C)CC1CCC(NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638273963 451393818 /nfs/dbraw/zinc/39/38/18/451393818.db2.gz DUDIXYJNXYUTFA-CTWPCTMYSA-N 2 1 346.519 1.682 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000638273963 451393821 /nfs/dbraw/zinc/39/38/21/451393821.db2.gz DUDIXYJNXYUTFA-CTWPCTMYSA-N 2 1 346.519 1.682 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)c1 ZINC000638328747 451437370 /nfs/dbraw/zinc/43/73/70/451437370.db2.gz KKHKCPNNNSEJFS-QZTJIDSGSA-N 2 1 340.427 1.133 20 0 EDADMP COC1CC[NH+](CCNC(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640608861 451454673 /nfs/dbraw/zinc/45/46/73/451454673.db2.gz BZDDVOZQJXRILM-UHFFFAOYSA-N 2 1 335.452 1.376 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000638367792 451464961 /nfs/dbraw/zinc/46/49/61/451464961.db2.gz HLTFAFNTDLQNKK-IRXDYDNUSA-N 2 1 330.476 1.237 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000638367792 451464966 /nfs/dbraw/zinc/46/49/66/451464966.db2.gz HLTFAFNTDLQNKK-IRXDYDNUSA-N 2 1 330.476 1.237 20 0 EDADMP O[C@@]1(C[NH2+]CCOC[C@H]2CCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704570 451481426 /nfs/dbraw/zinc/48/14/26/451481426.db2.gz MFAMGWGPGUDECO-RTBURBONSA-N 2 1 334.460 1.409 20 0 EDADMP O[C@@]1(C[NH2+]CCOC[C@H]2CCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704570 451481429 /nfs/dbraw/zinc/48/14/29/451481429.db2.gz MFAMGWGPGUDECO-RTBURBONSA-N 2 1 334.460 1.409 20 0 EDADMP O[C@H](CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000634720955 451501826 /nfs/dbraw/zinc/50/18/26/451501826.db2.gz RBYKXPHKZFRREO-HUUCEWRRSA-N 2 1 332.366 1.526 20 0 EDADMP O[C@H](CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000634720955 451501831 /nfs/dbraw/zinc/50/18/31/451501831.db2.gz RBYKXPHKZFRREO-HUUCEWRRSA-N 2 1 332.366 1.526 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)[C@@H]1CCC[NH3+] ZINC000638423165 451507339 /nfs/dbraw/zinc/50/73/39/451507339.db2.gz PXEAKJCHANSLOS-BHIYHBOVSA-N 2 1 346.519 1.812 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)[C@@H]1CCC[NH3+] ZINC000638423165 451507344 /nfs/dbraw/zinc/50/73/44/451507344.db2.gz PXEAKJCHANSLOS-BHIYHBOVSA-N 2 1 346.519 1.812 20 0 EDADMP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000634760496 451532058 /nfs/dbraw/zinc/53/20/58/451532058.db2.gz FYGUBBYSQLEUJY-ZWKOTPCHSA-N 2 1 345.487 1.782 20 0 EDADMP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000634760496 451532061 /nfs/dbraw/zinc/53/20/61/451532061.db2.gz FYGUBBYSQLEUJY-ZWKOTPCHSA-N 2 1 345.487 1.782 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000640758938 451557450 /nfs/dbraw/zinc/55/74/50/451557450.db2.gz KOWXTCDVNXSLCI-SFHVURJKSA-N 2 1 328.460 1.822 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631064073 451562817 /nfs/dbraw/zinc/56/28/17/451562817.db2.gz MXAFCSWERSPEAB-INIZCTEOSA-N 2 1 333.480 1.360 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631064073 451562823 /nfs/dbraw/zinc/56/28/23/451562823.db2.gz MXAFCSWERSPEAB-INIZCTEOSA-N 2 1 333.480 1.360 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638570739 451582755 /nfs/dbraw/zinc/58/27/55/451582755.db2.gz GTWLHERPVDDBIA-ROUUACIJSA-N 2 1 344.503 1.690 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C12CCC[NH+](CCC1)C2 ZINC000636226881 451603770 /nfs/dbraw/zinc/60/37/70/451603770.db2.gz HZBOGWWQUSESHE-IAGOWNOFSA-N 2 1 347.503 1.622 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638565290 451579530 /nfs/dbraw/zinc/57/95/30/451579530.db2.gz RWWTWKJNHYUVBH-UHFFFAOYSA-N 2 1 342.434 1.607 20 0 EDADMP CC1(C(=O)NCC[N@H+]2CC[C@@H](O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000629172262 451579965 /nfs/dbraw/zinc/57/99/65/451579965.db2.gz WTWWPJLVOLNZIW-GOSISDBHSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000638644028 451628184 /nfs/dbraw/zinc/62/81/84/451628184.db2.gz NWEMRRBPGYALPG-NXHRZFHOSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000638644028 451628189 /nfs/dbraw/zinc/62/81/89/451628189.db2.gz NWEMRRBPGYALPG-NXHRZFHOSA-N 2 1 331.460 1.534 20 0 EDADMP COc1ncc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000638678362 451647276 /nfs/dbraw/zinc/64/72/76/451647276.db2.gz NCMHAHQLTMJVHE-KRWDZBQOSA-N 2 1 333.457 1.878 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638849718 451709543 /nfs/dbraw/zinc/70/95/43/451709543.db2.gz DZWOMWKJFNPJBX-HHXXYDBFSA-N 2 1 331.460 1.249 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641033433 451736423 /nfs/dbraw/zinc/73/64/23/451736423.db2.gz NHQMVKQQFPFCPZ-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000638929287 451738618 /nfs/dbraw/zinc/73/86/18/451738618.db2.gz FLUQDKGNEQGFRA-BQBZGAKWSA-N 2 1 330.251 1.676 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)C[C@H]1Cc1ccccc1 ZINC000641041747 451739935 /nfs/dbraw/zinc/73/99/35/451739935.db2.gz DBEZJXMHNLFTFH-QZTJIDSGSA-N 2 1 330.476 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)C[C@H]1Cc1ccccc1 ZINC000641041747 451739939 /nfs/dbraw/zinc/73/99/39/451739939.db2.gz DBEZJXMHNLFTFH-QZTJIDSGSA-N 2 1 330.476 1.697 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC1CC[NH2+]CC1 ZINC000637201589 451754618 /nfs/dbraw/zinc/75/46/18/451754618.db2.gz CEHRZQZFZPPHNW-MRXNPFEDSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC1CC[NH2+]CC1 ZINC000637201589 451754621 /nfs/dbraw/zinc/75/46/21/451754621.db2.gz CEHRZQZFZPPHNW-MRXNPFEDSA-N 2 1 330.476 1.902 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000637207525 451756290 /nfs/dbraw/zinc/75/62/90/451756290.db2.gz YZOVHVYBXYWXBW-GOSISDBHSA-N 2 1 330.476 1.902 20 0 EDADMP CO[C@@]1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCOC1 ZINC000639107293 451769043 /nfs/dbraw/zinc/76/90/43/451769043.db2.gz ZLVRPJOYAQVTSI-RTBURBONSA-N 2 1 334.460 1.673 20 0 EDADMP CO[C@@]1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCOC1 ZINC000639107293 451769045 /nfs/dbraw/zinc/76/90/45/451769045.db2.gz ZLVRPJOYAQVTSI-RTBURBONSA-N 2 1 334.460 1.673 20 0 EDADMP c1c([C@@H]2CCC[NH2+]C2)nnn1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000641180437 451771247 /nfs/dbraw/zinc/77/12/47/451771247.db2.gz FLCWFWVPRBVNTJ-GOSISDBHSA-N 2 1 341.459 1.626 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H](OC)[C@H]1CCOC1 ZINC000639170835 451784254 /nfs/dbraw/zinc/78/42/54/451784254.db2.gz HZYUJRZRGYSISA-KSZLIROESA-N 2 1 327.513 1.386 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000641221132 451787260 /nfs/dbraw/zinc/78/72/60/451787260.db2.gz GITWYDBJBZXXEU-HKUYNNGSSA-N 2 1 343.475 1.756 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000641221132 451787261 /nfs/dbraw/zinc/78/72/61/451787261.db2.gz GITWYDBJBZXXEU-HKUYNNGSSA-N 2 1 343.475 1.756 20 0 EDADMP O[C@@]1(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641230789 451791814 /nfs/dbraw/zinc/79/18/14/451791814.db2.gz UITJSOMPKWTZHB-HKUYNNGSSA-N 2 1 341.459 1.067 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000637379471 451812613 /nfs/dbraw/zinc/81/26/13/451812613.db2.gz PMUMIVVSNKWKII-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000637379471 451812618 /nfs/dbraw/zinc/81/26/18/451812618.db2.gz PMUMIVVSNKWKII-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000637379471 451812622 /nfs/dbraw/zinc/81/26/22/451812622.db2.gz PMUMIVVSNKWKII-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000637379471 451812626 /nfs/dbraw/zinc/81/26/26/451812626.db2.gz PMUMIVVSNKWKII-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NCCC[NH2+]C(C)C)CC2)nc(C)[nH+]1 ZINC000637410393 451837417 /nfs/dbraw/zinc/83/74/17/451837417.db2.gz IGXCUQCHRUUKTA-UHFFFAOYSA-N 2 1 348.495 1.750 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642645009 451905425 /nfs/dbraw/zinc/90/54/25/451905425.db2.gz AHJATPHZWPEEOY-OAHLLOKOSA-N 2 1 338.496 1.097 20 0 EDADMP O=C([C@@H]1CCc2cncn2C1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000649209204 451905874 /nfs/dbraw/zinc/90/58/74/451905874.db2.gz GVZFAFJJJWSECD-NVXWUHKLSA-N 2 1 332.448 1.159 20 0 EDADMP C[N@@H+]1C[C@H]2CCN(C(=O)[C@H](c3ccccc3)N3CC[NH+](C)CC3)[C@H]2C1 ZINC000646914429 451931981 /nfs/dbraw/zinc/93/19/81/451931981.db2.gz XCHNQVJRLCSYRZ-QYZOEREBSA-N 2 1 342.487 1.138 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)[C@H](c3ccccc3)N3CC[NH+](C)CC3)[C@H]2C1 ZINC000646914429 451931985 /nfs/dbraw/zinc/93/19/85/451931985.db2.gz XCHNQVJRLCSYRZ-QYZOEREBSA-N 2 1 342.487 1.138 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000646926126 451942331 /nfs/dbraw/zinc/94/23/31/451942331.db2.gz YVUZDXULCHZMHZ-OKZBNKHCSA-N 2 1 328.460 1.456 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000646926126 451942337 /nfs/dbraw/zinc/94/23/37/451942337.db2.gz YVUZDXULCHZMHZ-OKZBNKHCSA-N 2 1 328.460 1.456 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000646926126 451942342 /nfs/dbraw/zinc/94/23/42/451942342.db2.gz YVUZDXULCHZMHZ-OKZBNKHCSA-N 2 1 328.460 1.456 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3C[NH2+]CCC3(F)F)CC2)c1 ZINC000649279446 451950663 /nfs/dbraw/zinc/95/06/63/451950663.db2.gz QIHVXNCBONOVMB-INIZCTEOSA-N 2 1 337.414 1.884 20 0 EDADMP C[N@H+]1CC[C@@](N)(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000649281578 451954428 /nfs/dbraw/zinc/95/44/28/451954428.db2.gz UKEBNSRESMOIIR-IBGZPJMESA-N 2 1 330.476 1.322 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2C[NH2+]CCC2(F)F)C[C@@H](C)O1 ZINC000649283893 451957587 /nfs/dbraw/zinc/95/75/87/451957587.db2.gz RJXXCYVEJNNUFD-JHJVBQTASA-N 2 1 333.423 1.235 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@]2(N)CC[N@H+](C)C2)CC1 ZINC000649287436 451961181 /nfs/dbraw/zinc/96/11/81/451961181.db2.gz GAEYGOIJWQSRNL-IBGZPJMESA-N 2 1 330.476 1.062 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)[C@H](C)C1 ZINC000639589600 451961216 /nfs/dbraw/zinc/96/12/16/451961216.db2.gz POKRCUPZCBCQOM-BPQIPLTHSA-N 2 1 337.508 1.866 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)[C@H](C)C1 ZINC000639589600 451961220 /nfs/dbraw/zinc/96/12/20/451961220.db2.gz POKRCUPZCBCQOM-BPQIPLTHSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@]2(N)CC[NH+](C)C2)CC1 ZINC000649287436 451961185 /nfs/dbraw/zinc/96/11/85/451961185.db2.gz GAEYGOIJWQSRNL-IBGZPJMESA-N 2 1 330.476 1.062 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@]2(N)CC[NH+](C)C2)CC1 ZINC000649287436 451961188 /nfs/dbraw/zinc/96/11/88/451961188.db2.gz GAEYGOIJWQSRNL-IBGZPJMESA-N 2 1 330.476 1.062 20 0 EDADMP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@]2(N)CC[N@@H+](C)C2)cc1 ZINC000649290797 451965768 /nfs/dbraw/zinc/96/57/68/451965768.db2.gz SZFRORKFKCZGFY-LJQANCHMSA-N 2 1 348.491 1.056 20 0 EDADMP COC[C@]1(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000649307424 451984686 /nfs/dbraw/zinc/98/46/86/451984686.db2.gz OKWWMARVAQJFRV-SUMDDJOVSA-N 2 1 331.460 1.707 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CCCC[NH3+])cc2)CC1 ZINC000649308567 451986183 /nfs/dbraw/zinc/98/61/83/451986183.db2.gz OGWPJPPAMCEYFQ-UHFFFAOYSA-N 2 1 332.448 1.532 20 0 EDADMP CC[C@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000647006208 452000444 /nfs/dbraw/zinc/00/04/44/452000444.db2.gz MOHCKVXGARKDCZ-RBUKOAKNSA-N 2 1 344.503 1.390 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)oc1C ZINC000649331703 452012810 /nfs/dbraw/zinc/01/28/10/452012810.db2.gz PDJUXDLYIWLERG-QLPKVWCKSA-N 2 1 332.448 1.085 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)[C@@H]1c1cccs1 ZINC000649340982 452021590 /nfs/dbraw/zinc/02/15/90/452021590.db2.gz FHXHIPYPGWFRTK-IIAWOOMASA-N 2 1 337.489 1.483 20 0 EDADMP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682102 452021829 /nfs/dbraw/zinc/02/18/29/452021829.db2.gz KSCGGKVSOMKHRW-ROUUACIJSA-N 2 1 335.448 1.150 20 0 EDADMP C[NH+](Cc1cncc(C[N@@H+](C)C[C@H](O)C2CC2)c1)C[C@@H](O)C1CC1 ZINC000649342544 452023558 /nfs/dbraw/zinc/02/35/58/452023558.db2.gz WQMFYRVGEVLTKB-KDURUIRLSA-N 2 1 333.476 1.487 20 0 EDADMP C[NH+](Cc1cncc(C[N@H+](C)C[C@@H](O)C2CC2)c1)C[C@H](O)C1CC1 ZINC000649342544 452023564 /nfs/dbraw/zinc/02/35/64/452023564.db2.gz WQMFYRVGEVLTKB-KDURUIRLSA-N 2 1 333.476 1.487 20 0 EDADMP C[NH+](Cc1cncc(C[N@@H+](C)C[C@@H](O)C2CC2)c1)C[C@H](O)C1CC1 ZINC000649342544 452023568 /nfs/dbraw/zinc/02/35/68/452023568.db2.gz WQMFYRVGEVLTKB-KDURUIRLSA-N 2 1 333.476 1.487 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000649349713 452031632 /nfs/dbraw/zinc/03/16/32/452031632.db2.gz SUFCOORCTDKJHW-KRWDZBQOSA-N 2 1 326.400 1.439 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000644858422 452032160 /nfs/dbraw/zinc/03/21/60/452032160.db2.gz KEIAEQOPJVWMII-NVXWUHKLSA-N 2 1 342.443 1.457 20 0 EDADMP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649417784 452079287 /nfs/dbraw/zinc/07/92/87/452079287.db2.gz GZVRWKKOUYCIOE-DLBZAZTESA-N 2 1 333.480 1.090 20 0 EDADMP C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637806193 452092608 /nfs/dbraw/zinc/09/26/08/452092608.db2.gz QFWSJCMKYUAETF-MJGOQNOKSA-N 2 1 331.460 1.251 20 0 EDADMP Cc1cc(N2CC[C@@H]([N@H+]3CCC4(C3)CC[NH+](C)CC4)C2=O)n(C)n1 ZINC000639758663 452097911 /nfs/dbraw/zinc/09/79/11/452097911.db2.gz XCQPQCNZIYDWGM-OAHLLOKOSA-N 2 1 331.464 1.252 20 0 EDADMP Cc1nc(N2CC[C@H](C[NH+](C)C)C2)cc(N2CC[C@H](C[NH+](C)C)C2)n1 ZINC000645040480 452129998 /nfs/dbraw/zinc/12/99/98/452129998.db2.gz WWMKWQJQMFNJAU-IAGOWNOFSA-N 2 1 346.523 1.561 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000654005949 452200508 /nfs/dbraw/zinc/20/05/08/452200508.db2.gz BMHOXXVCGNNJPP-LSDHHAIUSA-N 2 1 334.468 1.583 20 0 EDADMP Cc1[nH+]ccc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1Cl ZINC000641719870 452217693 /nfs/dbraw/zinc/21/76/93/452217693.db2.gz ZCALZZKATSCSDN-OAHLLOKOSA-N 2 1 338.883 1.674 20 0 EDADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647493353 452236697 /nfs/dbraw/zinc/23/66/97/452236697.db2.gz HSMJCAIMGFHJPM-UHFFFAOYSA-N 2 1 341.503 1.885 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641770896 452243869 /nfs/dbraw/zinc/24/38/69/452243869.db2.gz NJGBSIYTXPJXHT-QGZVFWFLSA-N 2 1 332.492 1.895 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000647530649 452265303 /nfs/dbraw/zinc/26/53/03/452265303.db2.gz YDXVWKKVQSKXDF-VQTJNVASSA-N 2 1 346.446 1.812 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000647530649 452265311 /nfs/dbraw/zinc/26/53/11/452265311.db2.gz YDXVWKKVQSKXDF-VQTJNVASSA-N 2 1 346.446 1.812 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](Cc2cnc(N3CCCC3)nc2)CC12CCOCC2 ZINC000647545441 452273487 /nfs/dbraw/zinc/27/34/87/452273487.db2.gz IKUHIQIMZSDQHS-INIZCTEOSA-N 2 1 331.464 1.264 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(N3CCCC3)nc2)CC12CCOCC2 ZINC000647545441 452273496 /nfs/dbraw/zinc/27/34/96/452273496.db2.gz IKUHIQIMZSDQHS-INIZCTEOSA-N 2 1 331.464 1.264 20 0 EDADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647549578 452276632 /nfs/dbraw/zinc/27/66/32/452276632.db2.gz IPGCJGOWPQTJCB-DFQSSKMNSA-N 3 1 329.488 1.997 20 0 EDADMP CC[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000659434032 452279694 /nfs/dbraw/zinc/27/96/94/452279694.db2.gz IKUILQONGPUBQI-KZNAEPCWSA-N 2 1 348.466 1.904 20 0 EDADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000641805343 452283755 /nfs/dbraw/zinc/28/37/55/452283755.db2.gz NBMUYRGODUWIEQ-WRFANHODSA-N 2 1 347.459 1.389 20 0 EDADMP C[C@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488049 452284489 /nfs/dbraw/zinc/28/44/89/452284489.db2.gz RREZEWMWZOODHA-OAGGEKHMSA-N 2 1 345.487 1.602 20 0 EDADMP C[C@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488049 452284500 /nfs/dbraw/zinc/28/45/00/452284500.db2.gz RREZEWMWZOODHA-OAGGEKHMSA-N 2 1 345.487 1.602 20 0 EDADMP CN(CCOc1ccc(Cl)cc1)C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641809360 452287529 /nfs/dbraw/zinc/28/75/29/452287529.db2.gz WOLKNDYNQSXDON-GJZGRUSLSA-N 2 1 339.867 1.893 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000641807874 452287922 /nfs/dbraw/zinc/28/79/22/452287922.db2.gz SLUIVMQXOQPGDD-OLZOCXBDSA-N 2 1 327.375 1.620 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659458135 452311306 /nfs/dbraw/zinc/31/13/06/452311306.db2.gz PKXVKTXZTFGFSV-ROUUACIJSA-N 2 1 334.508 1.892 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000661508017 452312900 /nfs/dbraw/zinc/31/29/00/452312900.db2.gz MAOBCFYJKAPJJB-GJZGRUSLSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661508017 452312916 /nfs/dbraw/zinc/31/29/16/452312916.db2.gz MAOBCFYJKAPJJB-GJZGRUSLSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661508017 452312924 /nfs/dbraw/zinc/31/29/24/452312924.db2.gz MAOBCFYJKAPJJB-GJZGRUSLSA-N 2 1 340.512 1.346 20 0 EDADMP CC(C)C[C@H]1COCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665757530 452324228 /nfs/dbraw/zinc/32/42/28/452324228.db2.gz MWYTVNCBYYPPJP-IRXDYDNUSA-N 2 1 342.528 1.715 20 0 EDADMP CC(C)C[C@H]1COCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665757530 452324235 /nfs/dbraw/zinc/32/42/35/452324235.db2.gz MWYTVNCBYYPPJP-IRXDYDNUSA-N 2 1 342.528 1.715 20 0 EDADMP COC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665757717 452324855 /nfs/dbraw/zinc/32/48/55/452324855.db2.gz UJBUIHHYPJXGIU-JKSUJKDBSA-N 2 1 328.501 1.326 20 0 EDADMP COC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665757717 452324859 /nfs/dbraw/zinc/32/48/59/452324859.db2.gz UJBUIHHYPJXGIU-JKSUJKDBSA-N 2 1 328.501 1.326 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)c1ccccc1Cl ZINC000638052050 452326909 /nfs/dbraw/zinc/32/69/09/452326909.db2.gz VWNNDDWHZHSLMY-RDJZCZTQSA-N 2 1 339.867 1.814 20 0 EDADMP [NH3+]C1(CC(=O)NCCn2ccnc2)CC[NH+](Cc2ccccc2)CC1 ZINC000638052088 452328554 /nfs/dbraw/zinc/32/85/54/452328554.db2.gz WQDGAFGGUZDKBU-UHFFFAOYSA-N 2 1 341.459 1.383 20 0 EDADMP C[NH+]1CCN(c2ncc(CN[C@H]3CC[N@@H+](C(C)(C)C)C3)cn2)CC1 ZINC000657562309 452336486 /nfs/dbraw/zinc/33/64/86/452336486.db2.gz MWQLAOYXEYEUCH-INIZCTEOSA-N 2 1 332.496 1.191 20 0 EDADMP C[NH+]1CCN(c2ncc(CN[C@H]3CC[N@H+](C(C)(C)C)C3)cn2)CC1 ZINC000657562309 452336497 /nfs/dbraw/zinc/33/64/97/452336497.db2.gz MWQLAOYXEYEUCH-INIZCTEOSA-N 2 1 332.496 1.191 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652145033 452338342 /nfs/dbraw/zinc/33/83/42/452338342.db2.gz ASEPSXTUAFBVLB-LUKYLMHMSA-N 2 1 340.512 1.645 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000659485413 452346987 /nfs/dbraw/zinc/34/69/87/452346987.db2.gz PYCKQQXYJMNMNT-ZBFHGGJFSA-N 2 1 336.505 1.511 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000659485413 452346993 /nfs/dbraw/zinc/34/69/93/452346993.db2.gz PYCKQQXYJMNMNT-ZBFHGGJFSA-N 2 1 336.505 1.511 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652159199 452353564 /nfs/dbraw/zinc/35/35/64/452353564.db2.gz SYFFKHJUCPFQIH-UHFFFAOYSA-N 2 1 326.416 1.052 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)C1 ZINC000638062556 452356926 /nfs/dbraw/zinc/35/69/26/452356926.db2.gz GKEGUQROZSLIHU-MRXNPFEDSA-N 2 1 330.476 1.762 20 0 EDADMP COCCN1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657595201 452362758 /nfs/dbraw/zinc/36/27/58/452362758.db2.gz FVHGWLKMCUJRDV-RBUKOAKNSA-N 2 1 333.476 1.064 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659523498 452387563 /nfs/dbraw/zinc/38/75/63/452387563.db2.gz UMGGMZLVAYJVNR-BZUAXINKSA-N 2 1 338.496 1.302 20 0 EDADMP COc1cc(CN(C)CC(=O)N2CC[NH+](C)CC2)ccc1Cl ZINC000640051583 452393590 /nfs/dbraw/zinc/39/35/90/452393590.db2.gz QYFYEQRADGCRID-UHFFFAOYSA-N 2 1 325.840 1.554 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000659535852 452396746 /nfs/dbraw/zinc/39/67/46/452396746.db2.gz LGJGJSCBZQILNH-MSOLQXFVSA-N 2 1 346.475 1.195 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000659538114 452397518 /nfs/dbraw/zinc/39/75/18/452397518.db2.gz VTCHOWRLBAFFOK-ZTFGCOKTSA-N 2 1 346.475 1.050 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654347333 452398671 /nfs/dbraw/zinc/39/86/71/452398671.db2.gz ZBDZZBAFLHNXLT-OAGGEKHMSA-N 2 1 328.501 1.515 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654347333 452398677 /nfs/dbraw/zinc/39/86/77/452398677.db2.gz ZBDZZBAFLHNXLT-OAGGEKHMSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000659554947 452411806 /nfs/dbraw/zinc/41/18/06/452411806.db2.gz XKLPLAFQFDIMJL-WMLDXEAASA-N 2 1 334.464 1.180 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCCC2)C[C@H]1Cc1ccccc1 ZINC000659574317 452429418 /nfs/dbraw/zinc/42/94/18/452429418.db2.gz NSHVXSLHGZBKTA-QGZVFWFLSA-N 2 1 330.476 1.826 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC2([NH3+])CCCC2)C[C@H]1Cc1ccccc1 ZINC000659574317 452429423 /nfs/dbraw/zinc/42/94/23/452429423.db2.gz NSHVXSLHGZBKTA-QGZVFWFLSA-N 2 1 330.476 1.826 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659576210 452430261 /nfs/dbraw/zinc/43/02/61/452430261.db2.gz GBFWCFGVJKBSFG-RCCFBDPRSA-N 2 1 330.476 1.868 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645509481 452477117 /nfs/dbraw/zinc/47/71/17/452477117.db2.gz FTDWINJYWDGQFV-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000659619026 452477254 /nfs/dbraw/zinc/47/72/54/452477254.db2.gz SUXKCSLFUZMFHD-VFORCBIJSA-N 2 1 336.480 1.022 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000659619026 452477265 /nfs/dbraw/zinc/47/72/65/452477265.db2.gz SUXKCSLFUZMFHD-VFORCBIJSA-N 2 1 336.480 1.022 20 0 EDADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCOC3(CC[NH+](C)CC3)C1)C2 ZINC000645528122 452498027 /nfs/dbraw/zinc/49/80/27/452498027.db2.gz PIZHFKCQDPQUNZ-MQVJKMGUSA-N 2 1 336.480 1.118 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000652341236 452513712 /nfs/dbraw/zinc/51/37/12/452513712.db2.gz VXAUSHDWCWJPIX-MRXNPFEDSA-N 2 1 337.489 1.605 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(=O)n4ccsc4n3)C2)C1 ZINC000652345870 452519511 /nfs/dbraw/zinc/51/95/11/452519511.db2.gz OGYCSZGAPSDEEM-UMVBOHGHSA-N 2 1 348.472 1.474 20 0 EDADMP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349355 452527208 /nfs/dbraw/zinc/52/72/08/452527208.db2.gz LWEDZPNPGFHJIW-MROQNXINSA-N 2 1 337.386 1.272 20 0 EDADMP CN(CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652352189 452528670 /nfs/dbraw/zinc/52/86/70/452528670.db2.gz QFSMJAZEWOBBKO-PXNSSMCTSA-N 2 1 344.503 1.690 20 0 EDADMP CN(CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652352189 452528678 /nfs/dbraw/zinc/52/86/78/452528678.db2.gz QFSMJAZEWOBBKO-PXNSSMCTSA-N 2 1 344.503 1.690 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccccn3)no2)C1 ZINC000652362316 452544550 /nfs/dbraw/zinc/54/45/50/452544550.db2.gz DKKXGGHGLTZZEH-KBMXLJTQSA-N 2 1 343.431 1.992 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2nc(-c3ccccn3)no2)C1 ZINC000652362316 452544559 /nfs/dbraw/zinc/54/45/59/452544559.db2.gz DKKXGGHGLTZZEH-KBMXLJTQSA-N 2 1 343.431 1.992 20 0 EDADMP Cc1csc(=O)n1CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652362006 452544730 /nfs/dbraw/zinc/54/47/30/452544730.db2.gz VMRSKOQMRUPOQQ-KFWWJZLASA-N 2 1 325.478 1.579 20 0 EDADMP CCCCOCCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363164 452545757 /nfs/dbraw/zinc/54/57/57/452545757.db2.gz ZMCGHHNGZAEGPB-BBWFWOEESA-N 2 1 341.496 1.280 20 0 EDADMP CC(C)[C@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000647824909 452559331 /nfs/dbraw/zinc/55/93/31/452559331.db2.gz DNNORVWGLAMSOV-GOSISDBHSA-N 2 1 336.524 1.203 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654487282 452560182 /nfs/dbraw/zinc/56/01/82/452560182.db2.gz FGVQZVKKCLOFPR-LBKYZSNHSA-N 2 1 338.496 1.266 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654487282 452560191 /nfs/dbraw/zinc/56/01/91/452560191.db2.gz FGVQZVKKCLOFPR-LBKYZSNHSA-N 2 1 338.496 1.266 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654487282 452560196 /nfs/dbraw/zinc/56/01/96/452560196.db2.gz FGVQZVKKCLOFPR-LBKYZSNHSA-N 2 1 338.496 1.266 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654487282 452560205 /nfs/dbraw/zinc/56/02/05/452560205.db2.gz FGVQZVKKCLOFPR-LBKYZSNHSA-N 2 1 338.496 1.266 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834930 452569208 /nfs/dbraw/zinc/56/92/08/452569208.db2.gz FWLWJSNLHIIXDE-LBPRGKRZSA-N 2 1 342.846 1.643 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834930 452569218 /nfs/dbraw/zinc/56/92/18/452569218.db2.gz FWLWJSNLHIIXDE-LBPRGKRZSA-N 2 1 342.846 1.643 20 0 EDADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835041 452570966 /nfs/dbraw/zinc/57/09/66/452570966.db2.gz KIYSQKGAVZOFLT-GFCCVEGCSA-N 2 1 326.391 1.129 20 0 EDADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835041 452570974 /nfs/dbraw/zinc/57/09/74/452570974.db2.gz KIYSQKGAVZOFLT-GFCCVEGCSA-N 2 1 326.391 1.129 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659721663 452612517 /nfs/dbraw/zinc/61/25/17/452612517.db2.gz BRQOSUJWRIYQOT-CQSZACIVSA-N 2 1 338.496 1.143 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659725521 452618992 /nfs/dbraw/zinc/61/89/92/452618992.db2.gz XUXDDJXDFMDULQ-CZUORRHYSA-N 2 1 346.475 1.312 20 0 EDADMP CC[NH+]1CCN(c2cnc(N3CC[N@H+](CC)C[C@H]3C)cn2)[C@H](C)C1 ZINC000663906203 452633381 /nfs/dbraw/zinc/63/33/81/452633381.db2.gz USCSXLNIIODLBT-HZPDHXFCSA-N 2 1 332.496 1.537 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654569421 452654275 /nfs/dbraw/zinc/65/42/75/452654275.db2.gz IDDHMNRPUVEOQL-TWMKSMIVSA-N 2 1 342.528 1.904 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654569421 452654280 /nfs/dbraw/zinc/65/42/80/452654280.db2.gz IDDHMNRPUVEOQL-TWMKSMIVSA-N 2 1 342.528 1.904 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654569421 452654286 /nfs/dbraw/zinc/65/42/86/452654286.db2.gz IDDHMNRPUVEOQL-TWMKSMIVSA-N 2 1 342.528 1.904 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654569421 452654294 /nfs/dbraw/zinc/65/42/94/452654294.db2.gz IDDHMNRPUVEOQL-TWMKSMIVSA-N 2 1 342.528 1.904 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654569421 452654300 /nfs/dbraw/zinc/65/43/00/452654300.db2.gz IDDHMNRPUVEOQL-TWMKSMIVSA-N 2 1 342.528 1.904 20 0 EDADMP CCn1ccnc1[C@@H](C)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583238 452668520 /nfs/dbraw/zinc/66/85/20/452668520.db2.gz LCKGMSWZOXUCTR-BYNSBNAKSA-N 2 1 337.468 1.761 20 0 EDADMP CCn1ccnc1[C@@H](C)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583238 452668523 /nfs/dbraw/zinc/66/85/23/452668523.db2.gz LCKGMSWZOXUCTR-BYNSBNAKSA-N 2 1 337.468 1.761 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000647957260 452701062 /nfs/dbraw/zinc/70/10/62/452701062.db2.gz HQFZKFCUJGGLPU-GOSISDBHSA-N 2 1 335.492 1.384 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000647957260 452701068 /nfs/dbraw/zinc/70/10/68/452701068.db2.gz HQFZKFCUJGGLPU-GOSISDBHSA-N 2 1 335.492 1.384 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC000661947518 452702181 /nfs/dbraw/zinc/70/21/81/452702181.db2.gz IRWBNPTUVXNHHL-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000661947518 452702187 /nfs/dbraw/zinc/70/21/87/452702187.db2.gz IRWBNPTUVXNHHL-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000661947518 452702192 /nfs/dbraw/zinc/70/21/92/452702192.db2.gz IRWBNPTUVXNHHL-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP O=c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc2sccn21 ZINC000647977041 452720427 /nfs/dbraw/zinc/72/04/27/452720427.db2.gz XJLOMECRZVKEGY-ZIAGYGMSSA-N 2 1 332.473 1.968 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000645718631 452720532 /nfs/dbraw/zinc/72/05/32/452720532.db2.gz QYNVZLKOODWRAO-FZKCQIBNSA-N 2 1 348.495 1.126 20 0 EDADMP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978620 452722877 /nfs/dbraw/zinc/72/28/77/452722877.db2.gz WAZIHFQLTIUNEB-MSOLQXFVSA-N 2 1 339.524 1.877 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655959192 452738987 /nfs/dbraw/zinc/73/89/87/452738987.db2.gz QQABMBLKQBMDAC-IRXDYDNUSA-N 2 1 344.459 1.525 20 0 EDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139084 452746123 /nfs/dbraw/zinc/74/61/23/452746123.db2.gz KRYDLRYQTXCSSY-XPGWFJOJSA-N 3 1 329.488 1.826 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652890 452755204 /nfs/dbraw/zinc/75/52/04/452755204.db2.gz UPRSCUANGRGTRW-BPKGMFCQSA-N 2 1 340.512 1.466 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652890 452755211 /nfs/dbraw/zinc/75/52/11/452755211.db2.gz UPRSCUANGRGTRW-BPKGMFCQSA-N 2 1 340.512 1.466 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652890 452755218 /nfs/dbraw/zinc/75/52/18/452755218.db2.gz UPRSCUANGRGTRW-BPKGMFCQSA-N 2 1 340.512 1.466 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652890 452755227 /nfs/dbraw/zinc/75/52/27/452755227.db2.gz UPRSCUANGRGTRW-BPKGMFCQSA-N 2 1 340.512 1.466 20 0 EDADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000655975808 452759196 /nfs/dbraw/zinc/75/91/96/452759196.db2.gz XBRSOOODSLZZOI-KURKYZTESA-N 2 1 343.475 1.754 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000655975808 452759205 /nfs/dbraw/zinc/75/92/05/452759205.db2.gz XBRSOOODSLZZOI-KURKYZTESA-N 2 1 343.475 1.754 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654728967 452844654 /nfs/dbraw/zinc/84/46/54/452844654.db2.gz BRHHBASIIJNAAV-HZPDHXFCSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncncc1Br ZINC000664195624 452868708 /nfs/dbraw/zinc/86/87/08/452868708.db2.gz DEOROJLGXHYPAC-NSHDSACASA-N 2 1 330.274 1.923 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncncc1Br ZINC000664195624 452868716 /nfs/dbraw/zinc/86/87/16/452868716.db2.gz DEOROJLGXHYPAC-NSHDSACASA-N 2 1 330.274 1.923 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C[C@H](C)[N@@H+]1CCO ZINC000654738789 452870045 /nfs/dbraw/zinc/87/00/45/452870045.db2.gz RCPSVVCWCCTUFZ-YVSFHVDLSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@H](C)[NH+]1CCO ZINC000654738789 452870053 /nfs/dbraw/zinc/87/00/53/452870053.db2.gz RCPSVVCWCCTUFZ-YVSFHVDLSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@H](C)[NH+]1CCO ZINC000654738789 452870058 /nfs/dbraw/zinc/87/00/58/452870058.db2.gz RCPSVVCWCCTUFZ-YVSFHVDLSA-N 2 1 338.496 1.100 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)C[C@@H]21 ZINC000662143393 452878419 /nfs/dbraw/zinc/87/84/19/452878419.db2.gz QOSKLBDWAVYTRX-KURKYZTESA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)C[C@@H]21 ZINC000662143393 452878433 /nfs/dbraw/zinc/87/84/33/452878433.db2.gz QOSKLBDWAVYTRX-KURKYZTESA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)C[C@@H]21 ZINC000662143393 452878444 /nfs/dbraw/zinc/87/84/44/452878444.db2.gz QOSKLBDWAVYTRX-KURKYZTESA-N 2 1 328.460 1.606 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)CC(C)C ZINC000650612296 452884688 /nfs/dbraw/zinc/88/46/88/452884688.db2.gz LUAFLIQWPGQORH-NVXWUHKLSA-N 2 1 340.512 1.203 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)CC(C)C ZINC000650612296 452884692 /nfs/dbraw/zinc/88/46/92/452884692.db2.gz LUAFLIQWPGQORH-NVXWUHKLSA-N 2 1 340.512 1.203 20 0 EDADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)Nc1ccc(F)cc1 ZINC000662152251 452889055 /nfs/dbraw/zinc/88/90/55/452889055.db2.gz AQEDJEXXARFKHS-KRWDZBQOSA-N 2 1 335.423 1.685 20 0 EDADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)Nc1ccc(F)cc1 ZINC000662152251 452889057 /nfs/dbraw/zinc/88/90/57/452889057.db2.gz AQEDJEXXARFKHS-KRWDZBQOSA-N 2 1 335.423 1.685 20 0 EDADMP CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000660028258 452937329 /nfs/dbraw/zinc/93/73/29/452937329.db2.gz UNHRHADFBGEXJR-OAHLLOKOSA-N 2 1 325.478 1.511 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])C2)CC1 ZINC000645977528 452962724 /nfs/dbraw/zinc/96/27/24/452962724.db2.gz FMKUEVUGMFROGI-JQHSSLGASA-N 2 1 336.524 1.569 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])C2)CC1 ZINC000645977528 452962730 /nfs/dbraw/zinc/96/27/30/452962730.db2.gz FMKUEVUGMFROGI-JQHSSLGASA-N 2 1 336.524 1.569 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)CC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977880 452965981 /nfs/dbraw/zinc/96/59/81/452965981.db2.gz MIYIOTVAGMHEMP-MJGOQNOKSA-N 2 1 344.503 1.751 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977880 452965990 /nfs/dbraw/zinc/96/59/90/452965990.db2.gz MIYIOTVAGMHEMP-MJGOQNOKSA-N 2 1 344.503 1.751 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])C2)CC1 ZINC000645978152 452966222 /nfs/dbraw/zinc/96/62/22/452966222.db2.gz VMWRCWPZNCELMR-UIEBLEIFSA-N 2 1 348.535 1.425 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])C2)CC1 ZINC000645978152 452966231 /nfs/dbraw/zinc/96/62/31/452966231.db2.gz VMWRCWPZNCELMR-UIEBLEIFSA-N 2 1 348.535 1.425 20 0 EDADMP c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C[C@@H]4C[NH2+]CCO4)C3)C2)cc1 ZINC000662264122 452993714 /nfs/dbraw/zinc/99/37/14/452993714.db2.gz RIDLQUUSOTZOGW-VQTJNVASSA-N 2 1 329.488 1.963 20 0 EDADMP COc1ccnc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1OC ZINC000662282784 453006057 /nfs/dbraw/zinc/00/60/57/453006057.db2.gz WJICZTGHKCEUIJ-PBHICJAKSA-N 2 1 335.448 1.817 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662319233 453036532 /nfs/dbraw/zinc/03/65/32/453036532.db2.gz LCIFXXZDXLKOML-HKUYNNGSSA-N 2 1 336.476 1.777 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662319233 453036541 /nfs/dbraw/zinc/03/65/41/453036541.db2.gz LCIFXXZDXLKOML-HKUYNNGSSA-N 2 1 336.476 1.777 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000664369089 453038756 /nfs/dbraw/zinc/03/87/56/453038756.db2.gz YKUFUJPBORABBO-HRCADAONSA-N 2 1 339.528 1.183 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000664369089 453038764 /nfs/dbraw/zinc/03/87/64/453038764.db2.gz YKUFUJPBORABBO-HRCADAONSA-N 3 1 339.528 1.183 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000664369089 453038769 /nfs/dbraw/zinc/03/87/69/453038769.db2.gz YKUFUJPBORABBO-HRCADAONSA-N 3 1 339.528 1.183 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000664369089 453038777 /nfs/dbraw/zinc/03/87/77/453038777.db2.gz YKUFUJPBORABBO-HRCADAONSA-N 3 1 339.528 1.183 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000664369089 453038781 /nfs/dbraw/zinc/03/87/81/453038781.db2.gz YKUFUJPBORABBO-HRCADAONSA-N 3 1 339.528 1.183 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000656306046 453042407 /nfs/dbraw/zinc/04/24/07/453042407.db2.gz GUZODQYQPLQSCJ-UHFFFAOYSA-N 2 1 340.512 1.167 20 0 EDADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CCN2CCOCC2)CC1 ZINC000662327345 453046853 /nfs/dbraw/zinc/04/68/53/453046853.db2.gz OAVYPRKAQIMEIV-UHFFFAOYSA-N 2 1 347.507 1.388 20 0 EDADMP Cc1ccc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cn1 ZINC000662337581 453055331 /nfs/dbraw/zinc/05/53/31/453055331.db2.gz LPOMQFOCJBZRHK-QGZVFWFLSA-N 2 1 340.475 1.902 20 0 EDADMP C[C@@H]1CN(c2ccccc2F)CC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666699061 453077102 /nfs/dbraw/zinc/07/71/02/453077102.db2.gz IWOQOVXHXRJPLM-CVEARBPZSA-N 2 1 348.466 1.534 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000650877228 453077600 /nfs/dbraw/zinc/07/76/00/453077600.db2.gz QAXUXIJXZVBOTO-MJGOQNOKSA-N 2 1 342.487 1.791 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000650877228 453077604 /nfs/dbraw/zinc/07/76/04/453077604.db2.gz QAXUXIJXZVBOTO-MJGOQNOKSA-N 2 1 342.487 1.791 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000650877228 453077611 /nfs/dbraw/zinc/07/76/11/453077611.db2.gz QAXUXIJXZVBOTO-MJGOQNOKSA-N 2 1 342.487 1.791 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000650877228 453077617 /nfs/dbraw/zinc/07/76/17/453077617.db2.gz QAXUXIJXZVBOTO-MJGOQNOKSA-N 2 1 342.487 1.791 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646066070 453078048 /nfs/dbraw/zinc/07/80/48/453078048.db2.gz CKCCBGNUDWOKSV-NVXWUHKLSA-N 2 1 330.476 1.311 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644160231 453091383 /nfs/dbraw/zinc/09/13/83/453091383.db2.gz VBAFQTLWNLCWTP-KBMXLJTQSA-N 2 1 337.414 1.868 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662387704 453097387 /nfs/dbraw/zinc/09/73/87/453097387.db2.gz HPVBLQWZRSZZQL-CABCVRRESA-N 2 1 333.480 1.729 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000650922571 453112691 /nfs/dbraw/zinc/11/26/91/453112691.db2.gz IIVVECQWUNIRLI-QGZVFWFLSA-N 2 1 341.544 1.147 20 0 EDADMP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000650922571 453112700 /nfs/dbraw/zinc/11/27/00/453112700.db2.gz IIVVECQWUNIRLI-QGZVFWFLSA-N 2 1 341.544 1.147 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000650922571 453112709 /nfs/dbraw/zinc/11/27/09/453112709.db2.gz IIVVECQWUNIRLI-QGZVFWFLSA-N 2 1 341.544 1.147 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000662431089 453139857 /nfs/dbraw/zinc/13/98/57/453139857.db2.gz ZENWALHMSWGBDR-QGZVFWFLSA-N 2 1 344.459 1.910 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000662435384 453142446 /nfs/dbraw/zinc/14/24/46/453142446.db2.gz XUGFVXAKUDQXPA-BHYGNILZSA-N 2 1 344.459 1.450 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN[C@H](CO)c1ccc(Br)cc1 ZINC000660237426 453147360 /nfs/dbraw/zinc/14/73/60/453147360.db2.gz CJBCCDQVWUPZHW-LSDHHAIUSA-N 2 1 345.281 1.773 20 0 EDADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc4c3C[NH2+]C4)C2)CC1 ZINC000662458279 453166200 /nfs/dbraw/zinc/16/62/00/453166200.db2.gz SFRAOVIYEBKSLV-OAHLLOKOSA-N 2 1 328.460 1.188 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc4c3C[NH2+]C4)C2)CC1 ZINC000662458279 453166205 /nfs/dbraw/zinc/16/62/05/453166205.db2.gz SFRAOVIYEBKSLV-OAHLLOKOSA-N 2 1 328.460 1.188 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662487626 453204889 /nfs/dbraw/zinc/20/48/89/453204889.db2.gz ZJLMQHIZUAEQNE-HNNXBMFYSA-N 2 1 346.475 1.946 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[N@@H+]1C ZINC000648720066 453209724 /nfs/dbraw/zinc/20/97/24/453209724.db2.gz ZDMGGJPPIUHNSQ-CRAIPNDOSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[N@H+]1C ZINC000648720066 453209728 /nfs/dbraw/zinc/20/97/28/453209728.db2.gz ZDMGGJPPIUHNSQ-CRAIPNDOSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC1C[NH+](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000660320770 453211814 /nfs/dbraw/zinc/21/18/14/453211814.db2.gz AEBUBYMFFGDCRB-ZDUSSCGKSA-N 2 1 336.505 1.698 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC1C[NH+](C)C1)[N@H+]1CCc2sccc2C1 ZINC000660320770 453211816 /nfs/dbraw/zinc/21/18/16/453211816.db2.gz AEBUBYMFFGDCRB-ZDUSSCGKSA-N 2 1 336.505 1.698 20 0 EDADMP [NH3+][C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1Br ZINC000662515314 453233530 /nfs/dbraw/zinc/23/35/30/453233530.db2.gz LLKMHHKHBBDILG-UHIISALHSA-N 2 1 338.249 1.802 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000648770714 453248144 /nfs/dbraw/zinc/24/81/44/453248144.db2.gz ZKYDMCQRADFLNC-HZPDHXFCSA-N 2 1 336.480 1.966 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000666925761 453253289 /nfs/dbraw/zinc/25/32/89/453253289.db2.gz DIJASWWPLQMUII-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000666925760 453253527 /nfs/dbraw/zinc/25/35/27/453253527.db2.gz DIJASWWPLQMUII-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000666974262 453289639 /nfs/dbraw/zinc/28/96/39/453289639.db2.gz MGGTZUIDZUILBF-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666973432 453289987 /nfs/dbraw/zinc/28/99/87/453289987.db2.gz VEUBNIWTVUSGMS-IAGOWNOFSA-N 2 1 338.496 1.221 20 0 EDADMP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000653112470 453300098 /nfs/dbraw/zinc/30/00/98/453300098.db2.gz ZLPFMULCHWBJJC-ZWKOTPCHSA-N 2 1 332.492 1.436 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000653112467 453300172 /nfs/dbraw/zinc/30/01/72/453300172.db2.gz ZLPFMULCHWBJJC-MSOLQXFVSA-N 2 1 332.492 1.436 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653120379 453310212 /nfs/dbraw/zinc/31/02/12/453310212.db2.gz PKOJFVLRLNFMEJ-LNLFQRSKSA-N 2 1 329.444 1.003 20 0 EDADMP C[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@H+]1Cc1ccccc1 ZINC000653122673 453313219 /nfs/dbraw/zinc/31/32/19/453313219.db2.gz ATDHEYGTTSGWJV-QRFRQXIXSA-N 2 1 343.471 1.345 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000648871837 453348187 /nfs/dbraw/zinc/34/81/87/453348187.db2.gz FKKCPYAWABFXFP-GJZGRUSLSA-N 2 1 336.480 1.700 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000648871837 453348195 /nfs/dbraw/zinc/34/81/95/453348195.db2.gz FKKCPYAWABFXFP-GJZGRUSLSA-N 2 1 336.480 1.700 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000653166888 453358231 /nfs/dbraw/zinc/35/82/31/453358231.db2.gz HQKPPSGSPKKMLC-HMQMGEFJSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000653166888 453358239 /nfs/dbraw/zinc/35/82/39/453358239.db2.gz HQKPPSGSPKKMLC-HMQMGEFJSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000653166888 453358244 /nfs/dbraw/zinc/35/82/44/453358244.db2.gz HQKPPSGSPKKMLC-HMQMGEFJSA-N 2 1 338.496 1.268 20 0 EDADMP CCN(C(=O)NCC[NH+](CC)CCC(F)(F)F)[C@H]1CC[N@@H+](C)C1 ZINC000664745770 453369648 /nfs/dbraw/zinc/36/96/48/453369648.db2.gz QRQAPMSCUBCNAM-ZDUSSCGKSA-N 2 1 338.418 1.996 20 0 EDADMP CCN(C(=O)NCC[N@H+](CC)CCC(F)(F)F)[C@H]1CC[NH+](C)C1 ZINC000664745770 453369658 /nfs/dbraw/zinc/36/96/58/453369658.db2.gz QRQAPMSCUBCNAM-ZDUSSCGKSA-N 2 1 338.418 1.996 20 0 EDADMP CCN(C(=O)NCC[N@@H+](CC)CCC(F)(F)F)[C@H]1CC[NH+](C)C1 ZINC000664745770 453369666 /nfs/dbraw/zinc/36/96/66/453369666.db2.gz QRQAPMSCUBCNAM-ZDUSSCGKSA-N 2 1 338.418 1.996 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000662667719 453379500 /nfs/dbraw/zinc/37/95/00/453379500.db2.gz DGXBQPUUENANIC-HOCLYGCPSA-N 2 1 346.479 1.339 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662677745 453395685 /nfs/dbraw/zinc/39/56/85/453395685.db2.gz SICCWQXBYBQDDJ-GASCZTMLSA-N 2 1 331.460 1.115 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(C[NH3+])c3)C2)C1 ZINC000667167462 453449135 /nfs/dbraw/zinc/44/91/35/453449135.db2.gz MDPXRCMHGZAVHW-GOSISDBHSA-N 2 1 330.432 1.028 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000662728239 453454819 /nfs/dbraw/zinc/45/48/19/453454819.db2.gz KIDPIZHPOGGPFY-QZTJIDSGSA-N 2 1 332.492 1.465 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662744875 453473163 /nfs/dbraw/zinc/47/31/63/453473163.db2.gz IZEAJVXQFJBLHU-JKSUJKDBSA-N 2 1 348.495 1.539 20 0 EDADMP [NH3+][C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccccc1Br ZINC000662749096 453478180 /nfs/dbraw/zinc/47/81/80/453478180.db2.gz KDDDDWPCYHVHGX-UTUOFQBUSA-N 2 1 330.201 1.347 20 0 EDADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000662818564 453549939 /nfs/dbraw/zinc/54/99/39/453549939.db2.gz AMDJSTQZKZLYTG-BSDSXHPESA-N 2 1 329.444 1.083 20 0 EDADMP Cc1c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)nnn1C1CC[NH2+]CC1 ZINC000662838718 453563553 /nfs/dbraw/zinc/56/35/53/453563553.db2.gz NXEFTPRJBDXUOD-CVEARBPZSA-N 2 1 346.479 1.258 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[N@H+]1C ZINC000659036725 453592644 /nfs/dbraw/zinc/59/26/44/453592644.db2.gz SUNSFMBTDMYKRS-XYPHTWIQSA-N 2 1 332.448 1.952 20 0 EDADMP CC[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000665170417 453599956 /nfs/dbraw/zinc/59/99/56/453599956.db2.gz MRZWFTGHPWBJQI-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659096813 453629084 /nfs/dbraw/zinc/62/90/84/453629084.db2.gz WOSMTERTNTWYMW-OAHLLOKOSA-N 2 1 332.448 1.334 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000663004055 453644237 /nfs/dbraw/zinc/64/42/37/453644237.db2.gz OPMBBWWVIMDWSG-LSDHHAIUSA-N 2 1 331.464 1.338 20 0 EDADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000665364416 453667972 /nfs/dbraw/zinc/66/79/72/453667972.db2.gz PPPMGTBOTKKCQK-JKSUJKDBSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000665368172 453670537 /nfs/dbraw/zinc/67/05/37/453670537.db2.gz MKEOHEUTTNIEEQ-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000665368172 453670539 /nfs/dbraw/zinc/67/05/39/453670539.db2.gz MKEOHEUTTNIEEQ-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661177318 453747758 /nfs/dbraw/zinc/74/77/58/453747758.db2.gz PBVSZGXSLWCXEZ-KURKYZTESA-N 2 1 341.455 1.588 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661177318 453747763 /nfs/dbraw/zinc/74/77/63/453747763.db2.gz PBVSZGXSLWCXEZ-KURKYZTESA-N 2 1 341.455 1.588 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661177318 453747767 /nfs/dbraw/zinc/74/77/67/453747767.db2.gz PBVSZGXSLWCXEZ-KURKYZTESA-N 2 1 341.455 1.588 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000665555895 453748457 /nfs/dbraw/zinc/74/84/57/453748457.db2.gz MWWWIOGIPKDUBR-CVEARBPZSA-N 2 1 338.496 1.223 20 0 EDADMP c1nc(N[C@H]2CC[N@H+](C3CC3)C2)cnc1N[C@H]1CC[NH+](C2CC2)C1 ZINC000663449335 453801939 /nfs/dbraw/zinc/80/19/39/453801939.db2.gz VSFGAYGGJAFNIY-KBPBESRZSA-N 2 1 328.464 1.774 20 0 EDADMP C[NH2+][C@@H](C(=O)N1CCOC2(C[NH2+]C2)C1)c1cccc(Cl)c1Cl ZINC000663491830 453809619 /nfs/dbraw/zinc/80/96/19/453809619.db2.gz KNQIHRMXZWTNKG-CYBMUJFWSA-N 2 1 344.242 1.455 20 0 EDADMP c1c([C@H]2CCC[N@H+](C[C@H]3CCSC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000663509978 453813067 /nfs/dbraw/zinc/81/30/67/453813067.db2.gz DIZQVRRIQJWPGF-CABCVRRESA-N 2 1 335.521 1.752 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414045270 486711281 /nfs/dbraw/zinc/71/12/81/486711281.db2.gz VZUUGUMMQCLVGE-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414045270 486711287 /nfs/dbraw/zinc/71/12/87/486711287.db2.gz VZUUGUMMQCLVGE-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP CC(C)[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000164308574 486728126 /nfs/dbraw/zinc/72/81/26/486728126.db2.gz CRSVXSWANJTKGV-QZTJIDSGSA-N 2 1 333.476 1.940 20 0 EDADMP O=C([C@H]1CCc2nc[nH]c2C1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000667423929 486773598 /nfs/dbraw/zinc/77/35/98/486773598.db2.gz YKWFVEAKOXRDKC-GJZGRUSLSA-N 2 1 332.448 1.228 20 0 EDADMP O=C([C@H]1CCc2[nH]cnc2C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000667423929 486773601 /nfs/dbraw/zinc/77/36/01/486773601.db2.gz YKWFVEAKOXRDKC-GJZGRUSLSA-N 2 1 332.448 1.228 20 0 EDADMP O=C([C@H]1CCc2[nH]cnc2C1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000667423929 486773608 /nfs/dbraw/zinc/77/36/08/486773608.db2.gz YKWFVEAKOXRDKC-GJZGRUSLSA-N 2 1 332.448 1.228 20 0 EDADMP Cn1nnnc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683690068 486792424 /nfs/dbraw/zinc/79/24/24/486792424.db2.gz DNSKYBVWUDHBIF-BJWYYQGGSA-N 2 1 326.448 1.538 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672803152 486807172 /nfs/dbraw/zinc/80/71/72/486807172.db2.gz HPDBEUPMAMKIOD-UHFFFAOYSA-N 2 1 340.512 1.207 20 0 EDADMP C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000680556244 486811603 /nfs/dbraw/zinc/81/16/03/486811603.db2.gz KESSULJJXAMKSW-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000680556244 486811605 /nfs/dbraw/zinc/81/16/05/486811605.db2.gz KESSULJJXAMKSW-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000417990266 486820588 /nfs/dbraw/zinc/82/05/88/486820588.db2.gz KHADACQQKOLCBG-FGTMMUONSA-N 2 1 346.475 1.322 20 0 EDADMP C[NH+](C)CC1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCCCC1 ZINC000683813234 486825685 /nfs/dbraw/zinc/82/56/85/486825685.db2.gz LOWIXTHLECTEGD-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000680815547 486858838 /nfs/dbraw/zinc/85/88/38/486858838.db2.gz SMWCZAAUFJYYKV-LJQANCHMSA-N 2 1 333.476 1.317 20 0 EDADMP CN1CC[C@@](O)(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000680815547 486858841 /nfs/dbraw/zinc/85/88/41/486858841.db2.gz SMWCZAAUFJYYKV-LJQANCHMSA-N 2 1 333.476 1.317 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000680815547 486858847 /nfs/dbraw/zinc/85/88/47/486858847.db2.gz SMWCZAAUFJYYKV-LJQANCHMSA-N 3 1 333.476 1.317 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000680815547 486858851 /nfs/dbraw/zinc/85/88/51/486858851.db2.gz SMWCZAAUFJYYKV-LJQANCHMSA-N 3 1 333.476 1.317 20 0 EDADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000683910271 486862743 /nfs/dbraw/zinc/86/27/43/486862743.db2.gz SJWPNVYXPKPDLS-UYAOXDASSA-N 2 1 345.487 1.566 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667727961 486936740 /nfs/dbraw/zinc/93/67/40/486936740.db2.gz LNQWXZSWFGOFTO-HNNXBMFYSA-N 2 1 333.480 1.540 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000681188667 486964735 /nfs/dbraw/zinc/96/47/35/486964735.db2.gz OSURXAGGYFTDMX-SJORKVTESA-N 2 1 339.528 1.186 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667802257 486971084 /nfs/dbraw/zinc/97/10/84/486971084.db2.gz KBUDHKVEVTVKMO-UHFFFAOYSA-N 2 1 348.495 1.075 20 0 EDADMP CN(CCCN(C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2)CC[NH+](C)C ZINC000667802257 486971087 /nfs/dbraw/zinc/97/10/87/486971087.db2.gz KBUDHKVEVTVKMO-UHFFFAOYSA-N 2 1 348.495 1.075 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2cnc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000667804669 486973720 /nfs/dbraw/zinc/97/37/20/486973720.db2.gz LQQZCSYZLYRVCY-OKILXGFUSA-N 2 1 347.463 1.300 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2cnc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000667804669 486973723 /nfs/dbraw/zinc/97/37/23/486973723.db2.gz LQQZCSYZLYRVCY-OKILXGFUSA-N 2 1 347.463 1.300 20 0 EDADMP CC[NH+]1CCN(c2cc(N3CC[N@H+](CC)[C@@H](C)C3)nc(C)n2)C[C@@H]1C ZINC000677152472 486986630 /nfs/dbraw/zinc/98/66/30/486986630.db2.gz CWSGSAXKWMPINV-HOTGVXAUSA-N 2 1 346.523 1.846 20 0 EDADMP O=C(c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)N1CCOCC1 ZINC000677237129 487017719 /nfs/dbraw/zinc/01/77/19/487017719.db2.gz BOLKDDJRXQOHDL-RTBURBONSA-N 2 1 343.471 1.875 20 0 EDADMP O=C(c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)N1CCOCC1 ZINC000677237129 487017722 /nfs/dbraw/zinc/01/77/22/487017722.db2.gz BOLKDDJRXQOHDL-RTBURBONSA-N 2 1 343.471 1.875 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684578865 487105628 /nfs/dbraw/zinc/10/56/28/487105628.db2.gz VXFYWOFXVNAYDD-MRXNPFEDSA-N 2 1 340.427 1.683 20 0 EDADMP CN(Cc1c(C2CC2)cnn1C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668162176 487124574 /nfs/dbraw/zinc/12/45/74/487124574.db2.gz QJCBSAIQCKPPCQ-QGZVFWFLSA-N 2 1 331.508 1.898 20 0 EDADMP CCc1nn(C)cc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000673852016 487133079 /nfs/dbraw/zinc/13/30/79/487133079.db2.gz NYOGVOJOHCPFGD-UHFFFAOYSA-N 2 1 331.464 1.998 20 0 EDADMP C[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[N@H+]1CCO ZINC000681755361 487158714 /nfs/dbraw/zinc/15/87/14/487158714.db2.gz RYJOXTUBISFDEU-SFHVURJKSA-N 2 1 347.503 1.660 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1CCO ZINC000681755361 487158718 /nfs/dbraw/zinc/15/87/18/487158718.db2.gz RYJOXTUBISFDEU-SFHVURJKSA-N 2 1 347.503 1.660 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1CCO ZINC000681755361 487158725 /nfs/dbraw/zinc/15/87/25/487158725.db2.gz RYJOXTUBISFDEU-SFHVURJKSA-N 2 1 347.503 1.660 20 0 EDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[NH+](C)C1 ZINC000681764568 487162087 /nfs/dbraw/zinc/16/20/87/487162087.db2.gz ASPNSPALUZVUIY-HKUYNNGSSA-N 2 1 331.460 1.034 20 0 EDADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000681764568 487162092 /nfs/dbraw/zinc/16/20/92/487162092.db2.gz ASPNSPALUZVUIY-HKUYNNGSSA-N 2 1 331.460 1.034 20 0 EDADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000681764568 487162096 /nfs/dbraw/zinc/16/20/96/487162096.db2.gz ASPNSPALUZVUIY-HKUYNNGSSA-N 2 1 331.460 1.034 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000681789091 487168507 /nfs/dbraw/zinc/16/85/07/487168507.db2.gz JDJURWNGBVINHC-KURKYZTESA-N 2 1 331.460 1.486 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000681789091 487168511 /nfs/dbraw/zinc/16/85/11/487168511.db2.gz JDJURWNGBVINHC-KURKYZTESA-N 2 1 331.460 1.486 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000677951341 487210692 /nfs/dbraw/zinc/21/06/92/487210692.db2.gz NXUCSLJLKWLGHT-MRXNPFEDSA-N 2 1 334.464 1.434 20 0 EDADMP NS(=O)(=O)c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1Cl ZINC000685325220 487260011 /nfs/dbraw/zinc/26/00/11/487260011.db2.gz JLCRGLCEUHITFZ-LBPRGKRZSA-N 2 1 343.880 1.561 20 0 EDADMP NS(=O)(=O)c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1Cl ZINC000685325220 487260015 /nfs/dbraw/zinc/26/00/15/487260015.db2.gz JLCRGLCEUHITFZ-LBPRGKRZSA-N 2 1 343.880 1.561 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[N@H+](CCO)C(C)(C)C1)[NH+]1CCCCC1 ZINC000682012635 487283711 /nfs/dbraw/zinc/28/37/11/487283711.db2.gz VRULVEAJWCGWQF-MRXNPFEDSA-N 2 1 325.497 1.412 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)[NH+]1CCCCC1 ZINC000682012635 487283712 /nfs/dbraw/zinc/28/37/12/487283712.db2.gz VRULVEAJWCGWQF-MRXNPFEDSA-N 2 1 325.497 1.412 20 0 EDADMP CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000682281407 487336744 /nfs/dbraw/zinc/33/67/44/487336744.db2.gz CZTLUYRPUHESQO-UHFFFAOYSA-N 2 1 344.419 1.006 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)[N@H+](C)C1 ZINC000500379295 487395604 /nfs/dbraw/zinc/39/56/04/487395604.db2.gz MUYOZYFHYLLULT-MXSMSXNCSA-N 2 1 333.476 1.822 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)[N@@H+](C)C1 ZINC000500379295 487395607 /nfs/dbraw/zinc/39/56/07/487395607.db2.gz MUYOZYFHYLLULT-MXSMSXNCSA-N 2 1 333.476 1.822 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000682661272 487402550 /nfs/dbraw/zinc/40/25/50/487402550.db2.gz OQVBRBOCHBICBC-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000682661272 487402552 /nfs/dbraw/zinc/40/25/52/487402552.db2.gz OQVBRBOCHBICBC-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675898284 487457702 /nfs/dbraw/zinc/45/77/02/487457702.db2.gz KSXFEPNIXNNDFM-XLIONFOSSA-N 3 1 331.504 1.943 20 0 EDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675898284 487457704 /nfs/dbraw/zinc/45/77/04/487457704.db2.gz KSXFEPNIXNNDFM-XLIONFOSSA-N 3 1 331.504 1.943 20 0 EDADMP Cc1ccc(CNC(=O)NC[C@H]2C[NH2+]CCCO2)c(N2CCCC2)[nH+]1 ZINC000669555696 485557539 /nfs/dbraw/zinc/55/75/39/485557539.db2.gz AYIOXVQLVBUAKR-MRXNPFEDSA-N 2 1 347.463 1.168 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669561169 485568450 /nfs/dbraw/zinc/56/84/50/485568450.db2.gz TUAIWADPNZWAHX-XGXHKWSGSA-N 2 1 342.487 1.900 20 0 EDADMP C[NH+](C)CC1CCC(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672967418 485851815 /nfs/dbraw/zinc/85/18/15/485851815.db2.gz JUIRPUPPBXFDAY-UHFFFAOYSA-N 2 1 340.512 1.205 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000668665624 486015629 /nfs/dbraw/zinc/01/56/29/486015629.db2.gz CIIGTYWATNRZBD-KZNAEPCWSA-N 2 1 328.460 1.654 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000669418666 486137857 /nfs/dbraw/zinc/13/78/57/486137857.db2.gz XXXSBWVKOXNVIB-QAPCUYQASA-N 2 1 330.476 1.875 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669477970 486238826 /nfs/dbraw/zinc/23/88/26/486238826.db2.gz MFHREVJCOAELFZ-CVEARBPZSA-N 2 1 340.537 1.456 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH2+]2)[C@H](C)C1 ZINC000669486245 486253109 /nfs/dbraw/zinc/25/31/09/486253109.db2.gz INAHWBNLMJGETC-ZACQAIPSSA-N 2 1 340.512 1.565 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000345629919 534914087 /nfs/dbraw/zinc/91/40/87/534914087.db2.gz AUIVJMORAIIRNA-UHFFFAOYSA-N 2 1 336.480 1.966 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC000174023891 527729424 /nfs/dbraw/zinc/72/94/24/527729424.db2.gz AJZTVLSUBNWJQL-GOSISDBHSA-N 2 1 346.475 1.488 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC000174023891 527729427 /nfs/dbraw/zinc/72/94/27/527729427.db2.gz AJZTVLSUBNWJQL-GOSISDBHSA-N 2 1 346.475 1.488 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000174023891 527729431 /nfs/dbraw/zinc/72/94/31/527729431.db2.gz AJZTVLSUBNWJQL-GOSISDBHSA-N 2 1 346.475 1.488 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1 ZINC000174023891 527729433 /nfs/dbraw/zinc/72/94/33/527729433.db2.gz AJZTVLSUBNWJQL-GOSISDBHSA-N 2 1 346.475 1.488 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000173731537 527805543 /nfs/dbraw/zinc/80/55/43/527805543.db2.gz QMSXNMISQKOOGS-INIZCTEOSA-N 2 1 346.475 1.487 20 0 EDADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000131465797 528112457 /nfs/dbraw/zinc/11/24/57/528112457.db2.gz REIRNRPPAJVUFH-CQSZACIVSA-N 2 1 327.494 1.977 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000171899942 528738086 /nfs/dbraw/zinc/73/80/86/528738086.db2.gz VSJFUQFEXWOVHV-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000236763984 535055485 /nfs/dbraw/zinc/05/54/85/535055485.db2.gz SPHIEZJYPIGDJR-RKVPGOIHSA-N 2 1 333.476 1.895 20 0 EDADMP CC(C)[NH+](CCNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)C(C)C ZINC000090512065 535070713 /nfs/dbraw/zinc/07/07/13/535070713.db2.gz MIHSSPOEWHFUQE-IAGOWNOFSA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)[NH+](CCNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)C(C)C ZINC000090512065 535070718 /nfs/dbraw/zinc/07/07/18/535070718.db2.gz MIHSSPOEWHFUQE-IAGOWNOFSA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346650357 535157766 /nfs/dbraw/zinc/15/77/66/535157766.db2.gz CATLMNKZQKJATN-GOEBONIOSA-N 2 1 347.507 1.787 20 0 EDADMP CC(C)([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000262661406 535196034 /nfs/dbraw/zinc/19/60/34/535196034.db2.gz YBHYEYABEURXRY-UHFFFAOYSA-N 2 1 338.883 1.706 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)nc1 ZINC000346338571 535691023 /nfs/dbraw/zinc/69/10/23/535691023.db2.gz VDFIJUKTFAXXNX-NVXWUHKLSA-N 2 1 344.459 1.663 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)nc1 ZINC000346338571 535691030 /nfs/dbraw/zinc/69/10/30/535691030.db2.gz VDFIJUKTFAXXNX-NVXWUHKLSA-N 2 1 344.459 1.663 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)[C@H](C)C1 ZINC000347194509 535768311 /nfs/dbraw/zinc/76/83/11/535768311.db2.gz GYYBRPIFNMBSQO-CABCVRRESA-N 2 1 336.480 1.561 20 0 EDADMP CC[N@@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000246299999 535774456 /nfs/dbraw/zinc/77/44/56/535774456.db2.gz PQORCBLYXDWXCR-QAPCUYQASA-N 2 1 330.476 1.893 20 0 EDADMP CC[NH+](CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000246299999 535774462 /nfs/dbraw/zinc/77/44/62/535774462.db2.gz PQORCBLYXDWXCR-QAPCUYQASA-N 2 1 330.476 1.893 20 0 EDADMP CC[NH+](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000246299999 535774466 /nfs/dbraw/zinc/77/44/66/535774466.db2.gz PQORCBLYXDWXCR-QAPCUYQASA-N 2 1 330.476 1.893 20 0 EDADMP C[NH+](CCCC[N@H+](C)CCc1cnccn1)CCc1cnccn1 ZINC000271358813 536334157 /nfs/dbraw/zinc/33/41/57/536334157.db2.gz PPBVVFVYGVGFGJ-UHFFFAOYSA-N 2 1 328.464 1.696 20 0 EDADMP C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000264114036 536342435 /nfs/dbraw/zinc/34/24/35/536342435.db2.gz PPBNXMAQUTUZKG-GOSISDBHSA-N 2 1 331.460 1.395 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)C2([NH3+])CCOCC2)[C@H]1c1cccs1 ZINC000261909281 536385487 /nfs/dbraw/zinc/38/54/87/536385487.db2.gz STHKJLLSDQEJHV-HIFRSBDPSA-N 2 1 337.489 1.755 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[N@H+]2CC(C)C)[NH+](C)C1 ZINC000347676090 536773934 /nfs/dbraw/zinc/77/39/34/536773934.db2.gz XLCMJOKCXPDRIO-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[NH+]2CC(C)C)[N@H+](C)C1 ZINC000347676090 536773938 /nfs/dbraw/zinc/77/39/38/536773938.db2.gz XLCMJOKCXPDRIO-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[NH+]2CC(C)C)[N@@H+](C)C1 ZINC000347676090 536773942 /nfs/dbraw/zinc/77/39/42/536773942.db2.gz XLCMJOKCXPDRIO-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)CCCC[NH+]3CCCC3)CC2)cn1 ZINC000729923174 578600763 /nfs/dbraw/zinc/60/07/63/578600763.db2.gz OVZGBLFCSSFQEA-UHFFFAOYSA-N 2 1 347.507 1.721 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)CCCC[NH+]3CCCC3)CC2)cn1 ZINC000729923174 578600764 /nfs/dbraw/zinc/60/07/64/578600764.db2.gz OVZGBLFCSSFQEA-UHFFFAOYSA-N 2 1 347.507 1.721 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000730733858 578656224 /nfs/dbraw/zinc/65/62/24/578656224.db2.gz FAYMRZNGVUQXLH-INIZCTEOSA-N 2 1 340.537 1.143 20 0 EDADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000732475053 578714517 /nfs/dbraw/zinc/71/45/17/578714517.db2.gz RGUGGYXYKMXXMS-SFHVURJKSA-N 2 1 347.507 1.135 20 0 EDADMP C[N@@H+](CCCO)C1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736797486 579021481 /nfs/dbraw/zinc/02/14/81/579021481.db2.gz JELUKVOADXSUJO-UHFFFAOYSA-N 2 1 348.426 1.284 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000749587219 579731661 /nfs/dbraw/zinc/73/16/61/579731661.db2.gz ROZDUOWMANMJSK-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1csc(C)n1 ZINC000750734721 579778901 /nfs/dbraw/zinc/77/89/01/579778901.db2.gz MIZQAULHARIGIE-MRXNPFEDSA-N 2 1 338.521 1.869 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000750845124 579783564 /nfs/dbraw/zinc/78/35/64/579783564.db2.gz IZLWBEWHOIAJLM-UHFFFAOYSA-N 2 1 331.460 1.490 20 0 EDADMP C[N@@H+]1CCCN(c2ccc(NC(=O)CC[NH+]3CCOCC3)cc2)CC1 ZINC000751342320 579802171 /nfs/dbraw/zinc/80/21/71/579802171.db2.gz JZIIWBLOUGPKLH-UHFFFAOYSA-N 2 1 346.475 1.489 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)CC[NH+]3CCOCC3)cc2)CC1 ZINC000751342320 579802172 /nfs/dbraw/zinc/80/21/72/579802172.db2.gz JZIIWBLOUGPKLH-UHFFFAOYSA-N 2 1 346.475 1.489 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](OC)C3)cc2)CC1 ZINC000752086791 579837553 /nfs/dbraw/zinc/83/75/53/579837553.db2.gz AIRPAPMULDIZGP-GOSISDBHSA-N 2 1 346.475 1.488 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](OC)C3)cc2)CC1 ZINC000752086791 579837555 /nfs/dbraw/zinc/83/75/55/579837555.db2.gz AIRPAPMULDIZGP-GOSISDBHSA-N 2 1 346.475 1.488 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000758218998 579977176 /nfs/dbraw/zinc/97/71/76/579977176.db2.gz FUMWKBNUYRTJBC-LJQANCHMSA-N 2 1 330.476 1.803 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3cnc(-c4ccccn4)n3)C2)CC1 ZINC000762499747 580076022 /nfs/dbraw/zinc/07/60/22/580076022.db2.gz KHJSNWYVGNOKBR-MRXNPFEDSA-N 2 1 326.448 1.961 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)CCCC[NH+]2CCCC2)CCCO1 ZINC000762608621 580078855 /nfs/dbraw/zinc/07/88/55/580078855.db2.gz COWZPPRAZLCYRF-QGZVFWFLSA-N 2 1 325.497 1.870 20 0 EDADMP C[C@@H](CNC(=O)N(C)CCC[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000779335587 580483779 /nfs/dbraw/zinc/48/37/79/580483779.db2.gz FQEUIBOTNXFCGP-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP Cc1ccccc1[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000779604319 580491084 /nfs/dbraw/zinc/49/10/84/580491084.db2.gz VXBQKFHNIIPWMA-SFHVURJKSA-N 2 1 334.460 1.188 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N(C)c2ccccc2)C1 ZINC000779650816 580492982 /nfs/dbraw/zinc/49/29/82/580492982.db2.gz AJKSIQYNBAPVMN-HNNXBMFYSA-N 2 1 334.420 1.257 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N(C)c2ccccc2)C1 ZINC000779650816 580492983 /nfs/dbraw/zinc/49/29/83/580492983.db2.gz AJKSIQYNBAPVMN-HNNXBMFYSA-N 2 1 334.420 1.257 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000783783569 580606260 /nfs/dbraw/zinc/60/62/60/580606260.db2.gz MRSAZEHKTNWOFQ-CVEARBPZSA-N 2 1 339.480 1.347 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000785809597 580653871 /nfs/dbraw/zinc/65/38/71/580653871.db2.gz PLAMDLLDWVPWGG-HNNXBMFYSA-N 2 1 334.464 1.683 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000785809597 580653872 /nfs/dbraw/zinc/65/38/72/580653872.db2.gz PLAMDLLDWVPWGG-HNNXBMFYSA-N 2 1 334.464 1.683 20 0 EDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786798752 580679542 /nfs/dbraw/zinc/67/95/42/580679542.db2.gz CHIAMFVZSYJXHQ-OAHLLOKOSA-N 2 1 346.475 1.714 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000795927729 580941589 /nfs/dbraw/zinc/94/15/89/580941589.db2.gz OAGFAZCYCZTAGM-UHFFFAOYSA-N 2 1 339.524 1.783 20 0 EDADMP CO[C@H](C)C[N@@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000796639741 580958753 /nfs/dbraw/zinc/95/87/53/580958753.db2.gz OASQLCOZZZQLRM-NUJGCVRESA-N 2 1 333.476 1.732 20 0 EDADMP CO[C@H](C)C[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000796639741 580958754 /nfs/dbraw/zinc/95/87/54/580958754.db2.gz OASQLCOZZZQLRM-NUJGCVRESA-N 2 1 333.476 1.732 20 0 EDADMP CO[C@H](C)C[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000796639741 580958755 /nfs/dbraw/zinc/95/87/55/580958755.db2.gz OASQLCOZZZQLRM-NUJGCVRESA-N 2 1 333.476 1.732 20 0 EDADMP c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc(-c2nn[nH]n2)c1 ZINC000738410739 598838079 /nfs/dbraw/zinc/83/80/79/598838079.db2.gz MZXNBOOTJRIYSC-QGZVFWFLSA-N 2 1 342.447 1.600 20 0 EDADMP CCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)[C@H]1OC ZINC000893047126 590635132 /nfs/dbraw/zinc/63/51/32/590635132.db2.gz KMKQMTLWYHHXSF-OUUBHVDSSA-N 2 1 348.487 1.651 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCCCC[C@@H]([NH3+])C2)CCCO1 ZINC000891857100 590657851 /nfs/dbraw/zinc/65/78/51/590657851.db2.gz YOZIAHUZCNUKPC-HZPDHXFCSA-N 2 1 326.485 1.400 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000891882163 590668591 /nfs/dbraw/zinc/66/85/91/590668591.db2.gz PFWQKSMUQCEPFI-RTBURBONSA-N 2 1 342.487 1.923 20 0 EDADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000891882163 590668593 /nfs/dbraw/zinc/66/85/93/590668593.db2.gz PFWQKSMUQCEPFI-RTBURBONSA-N 2 1 342.487 1.923 20 0 EDADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000891882163 590668595 /nfs/dbraw/zinc/66/85/95/590668595.db2.gz PFWQKSMUQCEPFI-RTBURBONSA-N 2 1 342.487 1.923 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891910237 590683658 /nfs/dbraw/zinc/68/36/58/590683658.db2.gz PIQUOHWTPPXNFC-HNNXBMFYSA-N 2 1 328.501 1.565 20 0 EDADMP C[C@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000893236667 590726303 /nfs/dbraw/zinc/72/63/03/590726303.db2.gz JLVHVQOCQPZJFR-MRXNPFEDSA-N 2 1 341.544 1.099 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000892131436 590814116 /nfs/dbraw/zinc/81/41/16/590814116.db2.gz ZZEPTEBDPAHNGO-WMZOPIPTSA-N 2 1 343.475 1.392 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000890878512 590827863 /nfs/dbraw/zinc/82/78/63/590827863.db2.gz CCASGNIXPNGPHP-IAGOWNOFSA-N 2 1 349.523 1.502 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000892200393 590861316 /nfs/dbraw/zinc/86/13/16/590861316.db2.gz PLIGPINDJMDOBM-JFIYKMOQSA-N 2 1 348.491 1.621 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000892200393 590861319 /nfs/dbraw/zinc/86/13/19/590861319.db2.gz PLIGPINDJMDOBM-JFIYKMOQSA-N 2 1 348.491 1.621 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NC3CCC([NH+]4CCCCC4)CC3)C[C@H]2C1 ZINC000893491769 590907317 /nfs/dbraw/zinc/90/73/17/590907317.db2.gz LPBKPAWBNIFDFZ-OQSMONGASA-N 2 1 334.508 1.987 20 0 EDADMP C[C@H]1CN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC[N@H+](C2CC2)C1 ZINC000892332199 590959280 /nfs/dbraw/zinc/95/92/80/590959280.db2.gz LWWSIYLYOSWWTB-OAHLLOKOSA-N 2 1 342.487 1.958 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892332632 590960143 /nfs/dbraw/zinc/96/01/43/590960143.db2.gz XBUXSVUKCADNAR-KRWDZBQOSA-N 2 1 330.476 1.958 20 0 EDADMP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)[NH+](C)C)cc1 ZINC000892410215 591016437 /nfs/dbraw/zinc/01/64/37/591016437.db2.gz QBQNWHJQQZZZOH-OKZBNKHCSA-N 2 1 330.476 1.943 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C3CCC2(C[NH3+])CC3)cn1 ZINC000891396024 591066863 /nfs/dbraw/zinc/06/68/63/591066863.db2.gz AUEURHVZLDSKLU-UHFFFAOYSA-N 2 1 340.431 1.741 20 0 EDADMP CN1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+](C)CC1 ZINC000891476623 591084921 /nfs/dbraw/zinc/08/49/21/591084921.db2.gz SERJGOSRGUPUAU-SFHVURJKSA-N 2 1 347.507 1.178 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)[C@@H]2C1 ZINC000891520034 591104974 /nfs/dbraw/zinc/10/49/74/591104974.db2.gz CKFYKKNPOVICOH-ARFHVFGLSA-N 2 1 332.448 1.762 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000891567089 591129526 /nfs/dbraw/zinc/12/95/26/591129526.db2.gz VPLOCTYXDALLRZ-GJZGRUSLSA-N 2 1 328.501 1.550 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000894028478 591175044 /nfs/dbraw/zinc/17/50/44/591175044.db2.gz HLWCISGVBFDPHH-NXHRZFHOSA-N 2 1 330.476 1.710 20 0 EDADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894028478 591175046 /nfs/dbraw/zinc/17/50/46/591175046.db2.gz HLWCISGVBFDPHH-NXHRZFHOSA-N 2 1 330.476 1.710 20 0 EDADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000894028478 591175048 /nfs/dbraw/zinc/17/50/48/591175048.db2.gz HLWCISGVBFDPHH-NXHRZFHOSA-N 2 1 330.476 1.710 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891673206 591178711 /nfs/dbraw/zinc/17/87/11/591178711.db2.gz HOXQYZXTZRHVBG-MZMPZRCHSA-N 2 1 328.460 1.483 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)C1CCCC1 ZINC000892833536 591198790 /nfs/dbraw/zinc/19/87/90/591198790.db2.gz YYHHFKROXNCBJY-SJORKVTESA-N 2 1 338.496 1.101 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000892885418 591215281 /nfs/dbraw/zinc/21/52/81/591215281.db2.gz XROSSTIPULOACC-GDBMZVCRSA-N 2 1 338.496 1.221 20 0 EDADMP CN1CC[N@@H+](CC2CC[NH+](C)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000894284716 591265740 /nfs/dbraw/zinc/26/57/40/591265740.db2.gz KLDCUNLMPJBSFC-INIZCTEOSA-N 2 1 340.512 1.469 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1cc(NC[C@H]2CC[N@@H+]2C)nc2cnccc21 ZINC000895768498 591269152 /nfs/dbraw/zinc/26/91/52/591269152.db2.gz CZKZNVDSHBZORG-ZIAGYGMSSA-N 2 1 326.448 1.862 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1cc(NC[C@H]2CC[N@@H+]2C)c2ccncc2n1 ZINC000895768498 591269154 /nfs/dbraw/zinc/26/91/54/591269154.db2.gz CZKZNVDSHBZORG-ZIAGYGMSSA-N 2 1 326.448 1.862 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1cc(NC[C@H]2CC[N@H+]2C)c2ccncc2n1 ZINC000895768498 591269155 /nfs/dbraw/zinc/26/91/55/591269155.db2.gz CZKZNVDSHBZORG-ZIAGYGMSSA-N 2 1 326.448 1.862 20 0 EDADMP Cc1noc2ncc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc12 ZINC000894333270 591281574 /nfs/dbraw/zinc/28/15/74/591281574.db2.gz VOOJIHKCBTYOJZ-IAGOWNOFSA-N 2 1 330.432 1.999 20 0 EDADMP CN1CCN(c2ncc(C[N@H+]3CC[C@H]([C@@H]4CCCO4)C3)cn2)CC1 ZINC000895844356 591283174 /nfs/dbraw/zinc/28/31/74/591283174.db2.gz DTPSFBXHAUFJKU-IRXDYDNUSA-N 2 1 331.464 1.229 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H]([C@@H]4CCCO4)C3)cn2)CC1 ZINC000895844356 591283176 /nfs/dbraw/zinc/28/31/76/591283176.db2.gz DTPSFBXHAUFJKU-IRXDYDNUSA-N 2 1 331.464 1.229 20 0 EDADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)CC1 ZINC000894721872 591399579 /nfs/dbraw/zinc/39/95/79/591399579.db2.gz GJNGBORJKLEQMU-UONOGXRCSA-N 2 1 333.398 1.671 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]3CCC4(CCC4)O3)C2)CC1 ZINC000896324339 591418073 /nfs/dbraw/zinc/41/80/73/591418073.db2.gz ATCGBYCUTMLZSN-DOTOQJQBSA-N 2 1 335.492 1.763 20 0 EDADMP C[C@H]1CCc2[nH]nc(C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)c2C1 ZINC000896324873 591419362 /nfs/dbraw/zinc/41/93/62/591419362.db2.gz KVTNBFVRAPBWGX-KBPBESRZSA-N 2 1 345.491 1.433 20 0 EDADMP C[NH+](C)C[C@@H]1CN(c2nc(Cl)nc3[nH]cnc32)C[C@H]1C[NH+](C)C ZINC000894868913 591450928 /nfs/dbraw/zinc/45/09/28/591450928.db2.gz OLTHVBBERIBIAD-GHMZBOCLSA-N 2 1 337.859 1.182 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896562234 591525337 /nfs/dbraw/zinc/52/53/37/591525337.db2.gz GEJNHKJOMLRVJY-SJORKVTESA-N 2 1 326.529 1.639 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N[C@H](C)[C@@H]1CN(C)CCN1C ZINC000896562234 591525340 /nfs/dbraw/zinc/52/53/40/591525340.db2.gz GEJNHKJOMLRVJY-SJORKVTESA-N 2 1 326.529 1.639 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896562234 591525344 /nfs/dbraw/zinc/52/53/44/591525344.db2.gz GEJNHKJOMLRVJY-SJORKVTESA-N 2 1 326.529 1.639 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896562234 591525348 /nfs/dbraw/zinc/52/53/48/591525348.db2.gz GEJNHKJOMLRVJY-SJORKVTESA-N 2 1 326.529 1.639 20 0 EDADMP CC1(C)CC[N@@H+](CCNC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000896609756 591552309 /nfs/dbraw/zinc/55/23/09/591552309.db2.gz QHYVLUZNUSRIOF-LSDHHAIUSA-N 2 1 340.537 1.597 20 0 EDADMP CC1(C)CC[NH+](CCNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000896609756 591552313 /nfs/dbraw/zinc/55/23/13/591552313.db2.gz QHYVLUZNUSRIOF-LSDHHAIUSA-N 2 1 340.537 1.597 20 0 EDADMP CC1(C)CC[NH+](CCNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000896609756 591552315 /nfs/dbraw/zinc/55/23/15/591552315.db2.gz QHYVLUZNUSRIOF-LSDHHAIUSA-N 2 1 340.537 1.597 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000896670205 591568432 /nfs/dbraw/zinc/56/84/32/591568432.db2.gz KJVUHVSLILURSH-QZTJIDSGSA-N 2 1 333.476 1.764 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000896670205 591568434 /nfs/dbraw/zinc/56/84/34/591568434.db2.gz KJVUHVSLILURSH-QZTJIDSGSA-N 2 1 333.476 1.764 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000896670205 591568437 /nfs/dbraw/zinc/56/84/37/591568437.db2.gz KJVUHVSLILURSH-QZTJIDSGSA-N 2 1 333.476 1.764 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000896747741 591601425 /nfs/dbraw/zinc/60/14/25/591601425.db2.gz HMPKDOGJHINRJX-IXDOHACOSA-N 2 1 336.480 1.118 20 0 EDADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896747741 591601428 /nfs/dbraw/zinc/60/14/28/591601428.db2.gz HMPKDOGJHINRJX-IXDOHACOSA-N 2 1 336.480 1.118 20 0 EDADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896747741 591601431 /nfs/dbraw/zinc/60/14/31/591601431.db2.gz HMPKDOGJHINRJX-IXDOHACOSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H](c1cccnc1)N1C(=O)C[C@@H](N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1=O ZINC000899254075 591746013 /nfs/dbraw/zinc/74/60/13/591746013.db2.gz NSBPZOSFIYBVNH-HWLIBYHHSA-N 2 1 342.443 1.154 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000898274513 591849064 /nfs/dbraw/zinc/84/90/64/591849064.db2.gz CPJAXHWXWWDDAD-GBESFXJTSA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000898274513 591849067 /nfs/dbraw/zinc/84/90/67/591849067.db2.gz CPJAXHWXWWDDAD-GBESFXJTSA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000898274513 591849071 /nfs/dbraw/zinc/84/90/71/591849071.db2.gz CPJAXHWXWWDDAD-GBESFXJTSA-N 2 1 343.471 1.583 20 0 EDADMP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000900007751 591865432 /nfs/dbraw/zinc/86/54/32/591865432.db2.gz SDOWARSJXAKBKQ-HXUWFJFHSA-N 2 1 347.503 1.991 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000900116426 591905041 /nfs/dbraw/zinc/90/50/41/591905041.db2.gz MJVROHTYTREPCZ-UHFFFAOYSA-N 2 1 341.459 1.233 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000900116426 591905044 /nfs/dbraw/zinc/90/50/44/591905044.db2.gz MJVROHTYTREPCZ-UHFFFAOYSA-N 2 1 341.459 1.233 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900182805 591932105 /nfs/dbraw/zinc/93/21/05/591932105.db2.gz MTEDJRQSBMRVGF-ICSRJNTNSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000900182805 591932108 /nfs/dbraw/zinc/93/21/08/591932108.db2.gz MTEDJRQSBMRVGF-ICSRJNTNSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000900182805 591932111 /nfs/dbraw/zinc/93/21/11/591932111.db2.gz MTEDJRQSBMRVGF-ICSRJNTNSA-N 2 1 345.487 1.484 20 0 EDADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CN1C[C@]2(CCCOC2)C1=O ZINC000902359636 591986185 /nfs/dbraw/zinc/98/61/85/591986185.db2.gz FOFCRTXNGBNVTG-IBGZPJMESA-N 2 1 337.508 1.883 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000899921368 591986580 /nfs/dbraw/zinc/98/65/80/591986580.db2.gz VDFHXTANLKGUFC-UHFFFAOYSA-N 2 1 330.432 1.743 20 0 EDADMP CCC(C)(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000900455024 592022459 /nfs/dbraw/zinc/02/24/59/592022459.db2.gz MBHHLWPBYHLJAL-UHFFFAOYSA-N 2 1 346.475 1.715 20 0 EDADMP C[NH+](C)CCOc1cccc(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c1 ZINC000900456001 592022909 /nfs/dbraw/zinc/02/29/09/592022909.db2.gz HIGRHEGVOLQVIC-SFHVURJKSA-N 2 1 335.448 1.412 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)c1 ZINC000900536698 592050473 /nfs/dbraw/zinc/05/04/73/592050473.db2.gz ADIOQKUFCJLVIL-LJQANCHMSA-N 2 1 349.475 1.090 20 0 EDADMP CCCCC[C@@H](C)NC(=O)CONC(=[NH2+])[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902809528 592067746 /nfs/dbraw/zinc/06/77/46/592067746.db2.gz FYHPTTLJYTYCOV-QLFBSQMISA-N 2 1 340.468 1.433 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900656351 592082391 /nfs/dbraw/zinc/08/23/91/592082391.db2.gz KFLITXZPCZIKSC-SFHVURJKSA-N 2 1 338.540 1.783 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000900656351 592082393 /nfs/dbraw/zinc/08/23/93/592082393.db2.gz KFLITXZPCZIKSC-SFHVURJKSA-N 2 1 338.540 1.783 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000900656351 592082395 /nfs/dbraw/zinc/08/23/95/592082395.db2.gz KFLITXZPCZIKSC-SFHVURJKSA-N 2 1 338.540 1.783 20 0 EDADMP CC(C)C[C@@H](CNC(=O)CC[NH+]1CCN(C(C)C)CC1)[NH+](C)C ZINC000900684620 592093669 /nfs/dbraw/zinc/09/36/69/592093669.db2.gz SNIJMGNXQVKTQS-KRWDZBQOSA-N 2 1 326.529 1.495 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000900725351 592105573 /nfs/dbraw/zinc/10/55/73/592105573.db2.gz KCALDCQPDSDGPL-SFHVURJKSA-N 2 1 338.540 1.593 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000900725351 592105575 /nfs/dbraw/zinc/10/55/75/592105575.db2.gz KCALDCQPDSDGPL-SFHVURJKSA-N 2 1 338.540 1.593 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000900725351 592105577 /nfs/dbraw/zinc/10/55/77/592105577.db2.gz KCALDCQPDSDGPL-SFHVURJKSA-N 2 1 338.540 1.593 20 0 EDADMP CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000903069519 592118893 /nfs/dbraw/zinc/11/88/93/592118893.db2.gz XEKGJMAMRUKTGZ-ROUUACIJSA-N 2 1 331.460 1.731 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000900821286 592137686 /nfs/dbraw/zinc/13/76/86/592137686.db2.gz MUWRQQJTYZZLAN-XHSDSOJGSA-N 2 1 339.480 1.060 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000900821286 592137687 /nfs/dbraw/zinc/13/76/87/592137687.db2.gz MUWRQQJTYZZLAN-XHSDSOJGSA-N 2 1 339.480 1.060 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000900821286 592137689 /nfs/dbraw/zinc/13/76/89/592137689.db2.gz MUWRQQJTYZZLAN-XHSDSOJGSA-N 2 1 339.480 1.060 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000900821286 592137690 /nfs/dbraw/zinc/13/76/90/592137690.db2.gz MUWRQQJTYZZLAN-XHSDSOJGSA-N 2 1 339.480 1.060 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900931248 592177044 /nfs/dbraw/zinc/17/70/44/592177044.db2.gz DXOOTTQIUNBWBS-RYQLBKOJSA-N 2 1 337.508 1.555 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)Nc1ccccc1C)C2 ZINC000903491096 592184515 /nfs/dbraw/zinc/18/45/15/592184515.db2.gz UXTHGOIWPHBPDW-IYOUNJFTSA-N 2 1 331.416 1.146 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H](C)C(=O)Nc1ccccc1)C2 ZINC000903492376 592185193 /nfs/dbraw/zinc/18/51/93/592185193.db2.gz OGYMOMULYSWYNZ-NPSOMJIGSA-N 2 1 331.416 1.226 20 0 EDADMP COC(=O)c1cc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cs1 ZINC000903494957 592186965 /nfs/dbraw/zinc/18/69/65/592186965.db2.gz SJMAIVCFHAYIQZ-OZVIIMIRSA-N 2 1 338.429 1.247 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496097 592187748 /nfs/dbraw/zinc/18/77/48/592187748.db2.gz FGODCPMOOQNCDZ-KCYZZUKISA-N 2 1 331.460 1.932 20 0 EDADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(N)nn3)CC2)oc1C ZINC000904361109 592238429 /nfs/dbraw/zinc/23/84/29/592238429.db2.gz VSQBECQYJNVTBR-UHFFFAOYSA-N 2 1 330.436 1.665 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906665719 592247923 /nfs/dbraw/zinc/24/79/23/592247923.db2.gz DFKNCCCQTVUFOW-OAHLLOKOSA-N 2 1 332.448 1.320 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000904509389 592273799 /nfs/dbraw/zinc/27/37/99/592273799.db2.gz JEDAEKFYTXGUPP-ZWKOTPCHSA-N 2 1 346.475 1.859 20 0 EDADMP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C[C@@H]1COc2ccccc2O1 ZINC000903718679 592280718 /nfs/dbraw/zinc/28/07/18/592280718.db2.gz QOZRGYSEINEGOS-HZPDHXFCSA-N 2 1 332.444 1.917 20 0 EDADMP C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724187 592284257 /nfs/dbraw/zinc/28/42/57/592284257.db2.gz LSHJZSKFFCPGPP-QUCCMNQESA-N 2 1 343.471 1.779 20 0 EDADMP c1ccn2c(c1)nnc2[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903732464 592288235 /nfs/dbraw/zinc/28/82/35/592288235.db2.gz DWFJNRUHSNTCPN-JTDSTZFVSA-N 2 1 341.459 1.677 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC000901242234 592301120 /nfs/dbraw/zinc/30/11/20/592301120.db2.gz YHKSUPXHEXFOPB-UHFFFAOYSA-N 2 1 334.508 1.099 20 0 EDADMP CCc1noc([C@H](C)N2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)n1 ZINC000903739971 592302280 /nfs/dbraw/zinc/30/22/80/592302280.db2.gz QXAVKWLOQNUUPY-HDMKZQKVSA-N 2 1 349.479 1.079 20 0 EDADMP Cc1cnn(C[C@@H]2C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)c1 ZINC000903740785 592303125 /nfs/dbraw/zinc/30/31/25/592303125.db2.gz ZAMGGPMHAVIJCY-IRXDYDNUSA-N 2 1 334.464 1.051 20 0 EDADMP Cc1cnn(C[C@@H]2C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)c1 ZINC000903740785 592303130 /nfs/dbraw/zinc/30/31/30/592303130.db2.gz ZAMGGPMHAVIJCY-IRXDYDNUSA-N 2 1 334.464 1.051 20 0 EDADMP COCC(C)(C)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903764313 592309257 /nfs/dbraw/zinc/30/92/57/592309257.db2.gz RDTFFJLCDTYKCE-MRXNPFEDSA-N 2 1 325.497 1.188 20 0 EDADMP Cn1cc(C[N@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c(C(F)(F)F)n1 ZINC000903755492 592313857 /nfs/dbraw/zinc/31/38/57/592313857.db2.gz IAHZTLTXLQNXEM-OCCSQVGLSA-N 2 1 332.370 1.639 20 0 EDADMP Cn1cc(C[N@@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c(C(F)(F)F)n1 ZINC000903755492 592313860 /nfs/dbraw/zinc/31/38/60/592313860.db2.gz IAHZTLTXLQNXEM-OCCSQVGLSA-N 2 1 332.370 1.639 20 0 EDADMP Cc1cc(NC(=O)C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)no1 ZINC000903793726 592317386 /nfs/dbraw/zinc/31/73/86/592317386.db2.gz JKRRQVGXSALNEI-UHFFFAOYSA-N 2 1 328.416 1.914 20 0 EDADMP [NH3+]CC1([C@H]2CCCC[N@H+]2[C@H]2CCN(C3CCOCC3)C2=O)CCC1 ZINC000903814613 592324641 /nfs/dbraw/zinc/32/46/41/592324641.db2.gz NTFMMDQSUSSOKM-DLBZAZTESA-N 2 1 335.492 1.750 20 0 EDADMP [NH3+]CCOCC[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000903823262 592334650 /nfs/dbraw/zinc/33/46/50/592334650.db2.gz FNGYLVWFTQGVFU-HNNXBMFYSA-N 2 1 325.840 1.510 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCCOc1cccc(Cl)c1)C2 ZINC000903845940 592343776 /nfs/dbraw/zinc/34/37/76/592343776.db2.gz KLOFRWOVCWQWSM-QEJZJMRPSA-N 2 1 337.851 1.647 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCCOc1cccc(Cl)c1)C2 ZINC000903845940 592343780 /nfs/dbraw/zinc/34/37/80/592343780.db2.gz KLOFRWOVCWQWSM-QEJZJMRPSA-N 2 1 337.851 1.647 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cnn1C ZINC000903889638 592350917 /nfs/dbraw/zinc/35/09/17/592350917.db2.gz URYHKKGHJPOTSB-DLBZAZTESA-N 2 1 342.491 1.675 20 0 EDADMP CCN(CC)C(=O)C1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903889839 592351148 /nfs/dbraw/zinc/35/11/48/592351148.db2.gz WGRYGJIMBHWFJD-INIZCTEOSA-N 2 1 348.495 1.283 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH+]2CCN(c3ccccn3)CC2)cnn1C ZINC000903873204 592354532 /nfs/dbraw/zinc/35/45/32/592354532.db2.gz MQISRJDHVXIPPS-MRXNPFEDSA-N 2 1 328.464 1.063 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH+]2CCN(c3ccc(F)cc3)CC2)cnn1C ZINC000903872820 592354603 /nfs/dbraw/zinc/35/46/03/592354603.db2.gz JJJWYMYPVQCMER-MRXNPFEDSA-N 2 1 345.466 1.807 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H](C)N1CC(F)(F)F ZINC000903876614 592357165 /nfs/dbraw/zinc/35/71/65/592357165.db2.gz ZLHJRENXWCMCRB-LJISPDSOSA-N 2 1 335.414 1.712 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H](C)N1CC(F)(F)F ZINC000903876614 592357171 /nfs/dbraw/zinc/35/71/71/592357171.db2.gz ZLHJRENXWCMCRB-LJISPDSOSA-N 2 1 335.414 1.712 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cnn1C ZINC000903897877 592368443 /nfs/dbraw/zinc/36/84/43/592368443.db2.gz KAWOHCBCUBXOHR-RHSMWYFYSA-N 2 1 330.480 1.589 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000903919851 592377453 /nfs/dbraw/zinc/37/74/53/592377453.db2.gz PSLSFMCHRIDXSL-SFHVURJKSA-N 2 1 340.475 1.520 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cnn1C ZINC000903929842 592381939 /nfs/dbraw/zinc/38/19/39/592381939.db2.gz MMMYAUUDOYTBOQ-AYOQOUSVSA-N 2 1 328.460 1.654 20 0 EDADMP COc1cccc2c1OCC[C@H]2[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903932030 592383564 /nfs/dbraw/zinc/38/35/64/592383564.db2.gz LJAJIEZPYKGGSS-XJKSGUPXSA-N 2 1 343.431 1.825 20 0 EDADMP COc1nc(C)cc(C)c1C[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903933077 592385293 /nfs/dbraw/zinc/38/52/93/592385293.db2.gz KOAMEECFKVVDNE-INIZCTEOSA-N 2 1 345.491 1.998 20 0 EDADMP COc1nc(C)cc(C)c1C[N@@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903933077 592385295 /nfs/dbraw/zinc/38/52/95/592385295.db2.gz KOAMEECFKVVDNE-INIZCTEOSA-N 2 1 345.491 1.998 20 0 EDADMP O=C1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCCCCCN1 ZINC000903936363 592386195 /nfs/dbraw/zinc/38/61/95/592386195.db2.gz ZUJZKMUCPQKVKJ-OAHLLOKOSA-N 2 1 334.468 1.085 20 0 EDADMP O[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)COc1ccc2cc[nH]c2c1 ZINC000905057927 592394806 /nfs/dbraw/zinc/39/48/06/592394806.db2.gz BOJSEKLUTAYDJE-RHSMWYFYSA-N 2 1 329.444 1.982 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)C3(O)CCC3)c2)CCO1 ZINC000905059768 592396782 /nfs/dbraw/zinc/39/67/82/592396782.db2.gz HYPNGUHJZOKZNR-QAPCUYQASA-N 2 1 334.460 1.273 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)C3(O)CCC3)c2)CCO1 ZINC000905059768 592396788 /nfs/dbraw/zinc/39/67/88/592396788.db2.gz HYPNGUHJZOKZNR-QAPCUYQASA-N 2 1 334.460 1.273 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCC[NH+](C)CCN(C)C)C1 ZINC000908240516 592401256 /nfs/dbraw/zinc/40/12/56/592401256.db2.gz WVFKLRBCFODNBM-QGZVFWFLSA-N 2 1 326.529 1.450 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000908240516 592401257 /nfs/dbraw/zinc/40/12/57/592401257.db2.gz WVFKLRBCFODNBM-QGZVFWFLSA-N 2 1 326.529 1.450 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1 ZINC000908240516 592401259 /nfs/dbraw/zinc/40/12/59/592401259.db2.gz WVFKLRBCFODNBM-QGZVFWFLSA-N 2 1 326.529 1.450 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000908240516 592401260 /nfs/dbraw/zinc/40/12/60/592401260.db2.gz WVFKLRBCFODNBM-QGZVFWFLSA-N 2 1 326.529 1.450 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000908240516 592401262 /nfs/dbraw/zinc/40/12/62/592401262.db2.gz WVFKLRBCFODNBM-QGZVFWFLSA-N 2 1 326.529 1.450 20 0 EDADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC000905098485 592404487 /nfs/dbraw/zinc/40/44/87/592404487.db2.gz SSYSUIKFJISLFR-SLFFLAALSA-N 2 1 348.487 1.043 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCC[NH+]2CCC[C@H]2CO)C1 ZINC000907068216 592504054 /nfs/dbraw/zinc/50/40/54/592504054.db2.gz LQOAVQOKAXUNHN-SJORKVTESA-N 2 1 325.497 1.462 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000907068216 592504057 /nfs/dbraw/zinc/50/40/57/592504057.db2.gz LQOAVQOKAXUNHN-SJORKVTESA-N 2 1 325.497 1.462 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)NCCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000907068216 592504060 /nfs/dbraw/zinc/50/40/60/592504060.db2.gz LQOAVQOKAXUNHN-SJORKVTESA-N 2 1 325.497 1.462 20 0 EDADMP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905337886 592509998 /nfs/dbraw/zinc/50/99/98/592509998.db2.gz LTRWQXFDZKIIKK-HOTGVXAUSA-N 2 1 329.510 1.265 20 0 EDADMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905337886 592510000 /nfs/dbraw/zinc/51/00/00/592510000.db2.gz LTRWQXFDZKIIKK-HOTGVXAUSA-N 2 1 329.510 1.265 20 0 EDADMP C[C@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)N1CC[NH+](C)CC1 ZINC000908501925 592522644 /nfs/dbraw/zinc/52/26/44/592522644.db2.gz KPCFPGNLFHFZSJ-MRXNPFEDSA-N 2 1 336.524 1.393 20 0 EDADMP COC(=O)CC(C)(C)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000905533082 592564240 /nfs/dbraw/zinc/56/42/40/592564240.db2.gz YHNADKLBRUEZSJ-LJQANCHMSA-N 2 1 334.460 1.802 20 0 EDADMP COC(=O)CC(C)(C)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000905533082 592564242 /nfs/dbraw/zinc/56/42/42/592564242.db2.gz YHNADKLBRUEZSJ-LJQANCHMSA-N 2 1 334.460 1.802 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000907260075 592574861 /nfs/dbraw/zinc/57/48/61/592574861.db2.gz IFUOPHUMLAQZDF-UHFFFAOYSA-N 2 1 338.540 1.641 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000905593633 592585572 /nfs/dbraw/zinc/58/55/72/592585572.db2.gz GTTVYELCNPOHTJ-RBUKOAKNSA-N 2 1 348.487 1.797 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000905593633 592585575 /nfs/dbraw/zinc/58/55/75/592585575.db2.gz GTTVYELCNPOHTJ-RBUKOAKNSA-N 2 1 348.487 1.797 20 0 EDADMP CC1(C)CC[N@@H+](CCNC[C@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000905680108 592610002 /nfs/dbraw/zinc/61/00/02/592610002.db2.gz VCYDGPVTASKDIP-IBGZPJMESA-N 2 1 331.504 1.727 20 0 EDADMP CC1(C)CC[NH+](CCNC[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000905680108 592610006 /nfs/dbraw/zinc/61/00/06/592610006.db2.gz VCYDGPVTASKDIP-IBGZPJMESA-N 2 1 331.504 1.727 20 0 EDADMP CC1(C)CC[NH+](CCNC[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000905680108 592610009 /nfs/dbraw/zinc/61/00/09/592610009.db2.gz VCYDGPVTASKDIP-IBGZPJMESA-N 2 1 331.504 1.727 20 0 EDADMP CN1CC[NH+](CCC(C)(C)NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000907456710 592665051 /nfs/dbraw/zinc/66/50/51/592665051.db2.gz OGJMGJSGGDQTPI-DLBZAZTESA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000907456710 592665053 /nfs/dbraw/zinc/66/50/53/592665053.db2.gz OGJMGJSGGDQTPI-DLBZAZTESA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000907456710 592665057 /nfs/dbraw/zinc/66/50/57/592665057.db2.gz OGJMGJSGGDQTPI-DLBZAZTESA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCN([C@H](C[NH2+]C[C@](C)(O)C(F)F)c2cccs2)CC1 ZINC000905878901 592677847 /nfs/dbraw/zinc/67/78/47/592677847.db2.gz YYHGCRYEBHTCGU-DOMZBBRYSA-N 2 1 333.448 1.642 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H](O)C[C@]3(O)CCOC3)C2)c1 ZINC000905925563 592684809 /nfs/dbraw/zinc/68/48/09/592684809.db2.gz UMUPULWQTSCBST-LZLYRXPVSA-N 2 1 335.448 1.026 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H](O)C[C@]3(O)CCOC3)C2)c1 ZINC000905925563 592684812 /nfs/dbraw/zinc/68/48/12/592684812.db2.gz UMUPULWQTSCBST-LZLYRXPVSA-N 2 1 335.448 1.026 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+]C[C@H](O)C3(O)CCCC3)C2)nc(C)[nH+]1 ZINC000905931764 592687628 /nfs/dbraw/zinc/68/76/28/592687628.db2.gz MCEITWZNGVTAJB-HOTGVXAUSA-N 2 1 334.464 1.318 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000909874534 592704763 /nfs/dbraw/zinc/70/47/63/592704763.db2.gz GUPUMGHCHDPJRX-HNNXBMFYSA-N 2 1 344.415 1.226 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000909874534 592704765 /nfs/dbraw/zinc/70/47/65/592704765.db2.gz GUPUMGHCHDPJRX-HNNXBMFYSA-N 2 1 344.415 1.226 20 0 EDADMP CN(CCCN1CC[NH+](C)CC1)Cc1cn(-c2ccccc2F)nn1 ZINC000906290705 592781688 /nfs/dbraw/zinc/78/16/88/592781688.db2.gz RGYMZMWZLXDXEF-UHFFFAOYSA-N 2 1 346.454 1.476 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645902 592865716 /nfs/dbraw/zinc/86/57/16/592865716.db2.gz MSWXVJWZVNQFAG-ZNMIVQPWSA-N 2 1 346.475 1.566 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)[C@H](CC)[N@@H+]2CCO[C@@H](CC)C2)CC1 ZINC000911863981 593024187 /nfs/dbraw/zinc/02/41/87/593024187.db2.gz LCLUBQZAFNFUAM-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)[C@H](CC)[N@H+]2CCO[C@@H](CC)C2)CC1 ZINC000911863981 593024188 /nfs/dbraw/zinc/02/41/88/593024188.db2.gz LCLUBQZAFNFUAM-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP CC[C@@H](C(=O)N1CCC(OCCC[NH3+])CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911875018 593029025 /nfs/dbraw/zinc/02/90/25/593029025.db2.gz IOWGEJUYUUGIEN-WBVHZDCISA-N 2 1 341.496 1.232 20 0 EDADMP CC[C@@H](C(=O)N1CCC(OCCC[NH3+])CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911875018 593029026 /nfs/dbraw/zinc/02/90/26/593029026.db2.gz IOWGEJUYUUGIEN-WBVHZDCISA-N 2 1 341.496 1.232 20 0 EDADMP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000912583322 593106172 /nfs/dbraw/zinc/10/61/72/593106172.db2.gz DHROHEIBCCGHTG-SJORKVTESA-N 2 1 337.508 1.602 20 0 EDADMP CC[C@H]1CCN1CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000840078394 593124453 /nfs/dbraw/zinc/12/44/53/593124453.db2.gz UPGJIWRYCFJVRZ-YESZJQIVSA-N 2 1 327.428 1.545 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnc(Cl)cn2)CC1 ZINC000839256722 593281426 /nfs/dbraw/zinc/28/14/26/593281426.db2.gz QBDAJEBHLIAAEB-UHFFFAOYSA-N 2 1 332.795 1.529 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810542216 593410883 /nfs/dbraw/zinc/41/08/83/593410883.db2.gz KTGUELAVUDPNRO-SFHVURJKSA-N 2 1 343.487 1.550 20 0 EDADMP CN1CC[NH+](CC2(C)CC[NH+](CN3C[C@@H]4CCC[C@@H]4C3=O)CC2)CC1 ZINC000840046038 593414662 /nfs/dbraw/zinc/41/46/62/593414662.db2.gz LTPINOVZHJLQDR-ROUUACIJSA-N 2 1 348.535 1.552 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000817288824 593589324 /nfs/dbraw/zinc/58/93/24/593589324.db2.gz NQRFHCKTFUPMON-BZUAXINKSA-N 2 1 326.481 1.743 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000817288824 593589325 /nfs/dbraw/zinc/58/93/25/593589325.db2.gz NQRFHCKTFUPMON-BZUAXINKSA-N 2 1 326.481 1.743 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000818980554 593731921 /nfs/dbraw/zinc/73/19/21/593731921.db2.gz LCITWMDMEHWGLG-RHSMWYFYSA-N 2 1 340.489 1.445 20 0 EDADMP Cc1cc(NC(=O)CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)no1 ZINC000819059105 593736367 /nfs/dbraw/zinc/73/63/67/593736367.db2.gz BIVLWPQIBKDQMG-OAHLLOKOSA-N 2 1 336.436 1.545 20 0 EDADMP Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000819060378 593736564 /nfs/dbraw/zinc/73/65/64/593736564.db2.gz HMVPRROIGNWXKY-RTBURBONSA-N 2 1 348.487 1.968 20 0 EDADMP CCc1nc2c(nccc2C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[nH]1 ZINC000824819970 594079668 /nfs/dbraw/zinc/07/96/68/594079668.db2.gz SKGPODHITWETIV-ZDUSSCGKSA-N 2 1 346.479 1.522 20 0 EDADMP CCc1nc2c(nccc2C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[nH]1 ZINC000824819970 594079669 /nfs/dbraw/zinc/07/96/69/594079669.db2.gz SKGPODHITWETIV-ZDUSSCGKSA-N 2 1 346.479 1.522 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc(C[C@@H]4CC[NH2+]C4)n3)cn2)CC1 ZINC000822914269 594121275 /nfs/dbraw/zinc/12/12/75/594121275.db2.gz FBRMFHUSBWHCMM-ZDUSSCGKSA-N 2 1 328.420 1.035 20 0 EDADMP CN1CCCC[C@H]1C(=O)NC1CCN(CC(=O)OC(C)(C)C)CC1 ZINC000825391743 594177623 /nfs/dbraw/zinc/17/76/23/594177623.db2.gz FLQNUIZALDDQJX-HNNXBMFYSA-N 2 1 339.480 1.393 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCCCC[NH3+])c1 ZINC000827533619 594226265 /nfs/dbraw/zinc/22/62/65/594226265.db2.gz HZSVQPSMHGTLMJ-MRXNPFEDSA-N 2 1 332.448 1.594 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCCCC[NH3+])c1 ZINC000827533619 594226267 /nfs/dbraw/zinc/22/62/67/594226267.db2.gz HZSVQPSMHGTLMJ-MRXNPFEDSA-N 2 1 332.448 1.594 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000826038337 594313218 /nfs/dbraw/zinc/31/32/18/594313218.db2.gz KDDWFDJKZVBOGM-UHFFFAOYSA-N 2 1 347.442 1.075 20 0 EDADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000828932356 594532637 /nfs/dbraw/zinc/53/26/37/594532637.db2.gz RRICHDDCUWCTCJ-PMPSAXMXSA-N 2 1 326.481 1.743 20 0 EDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000828932356 594532639 /nfs/dbraw/zinc/53/26/39/594532639.db2.gz RRICHDDCUWCTCJ-PMPSAXMXSA-N 2 1 326.481 1.743 20 0 EDADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000831127136 594563312 /nfs/dbraw/zinc/56/33/12/594563312.db2.gz CUCVPSMEESSYHZ-LZLYRXPVSA-N 2 1 344.459 1.117 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000831173936 594574848 /nfs/dbraw/zinc/57/48/48/594574848.db2.gz UPHNGEBZUIIJLA-HNNXBMFYSA-N 2 1 340.431 1.517 20 0 EDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@]1(F)CC[NH2+]C1 ZINC000832054561 594722494 /nfs/dbraw/zinc/72/24/94/594722494.db2.gz ORPZKNOMKJBFHN-FUHWJXTLSA-N 2 1 335.423 1.095 20 0 EDADMP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000841456626 594903224 /nfs/dbraw/zinc/90/32/24/594903224.db2.gz JORFRGCWMMXHBD-CPUCHLNUSA-N 2 1 329.460 1.112 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000841456626 594903227 /nfs/dbraw/zinc/90/32/27/594903227.db2.gz JORFRGCWMMXHBD-CPUCHLNUSA-N 2 1 329.460 1.112 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000841456626 594903230 /nfs/dbraw/zinc/90/32/30/594903230.db2.gz JORFRGCWMMXHBD-CPUCHLNUSA-N 2 1 329.460 1.112 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000841456626 594903233 /nfs/dbraw/zinc/90/32/33/594903233.db2.gz JORFRGCWMMXHBD-CPUCHLNUSA-N 2 1 329.460 1.112 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(CC[NH3+])cc3)CC[C@H]21 ZINC000841929896 594983850 /nfs/dbraw/zinc/98/38/50/594983850.db2.gz VKEINKRDYOSYOZ-ZWKOTPCHSA-N 2 1 330.476 1.814 20 0 EDADMP COCCOc1cccc(CNC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843354984 595085475 /nfs/dbraw/zinc/08/54/75/595085475.db2.gz HTTFPHNLPVIJNY-UHFFFAOYSA-N 2 1 349.475 1.530 20 0 EDADMP CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@](C)(C[NH3+])C3)cc(=O)oc2c1 ZINC000843382839 595095525 /nfs/dbraw/zinc/09/55/25/595095525.db2.gz SLZSLURMUYVIAF-GOSISDBHSA-N 2 1 329.400 1.922 20 0 EDADMP CC(=O)Nc1ccc2c(C[N@H+]3CC[C@](C)(C[NH3+])C3)cc(=O)oc2c1 ZINC000843382839 595095529 /nfs/dbraw/zinc/09/55/29/595095529.db2.gz SLZSLURMUYVIAF-GOSISDBHSA-N 2 1 329.400 1.922 20 0 EDADMP Cc1cc2oc(=O)cc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)c2cc1C ZINC000843385547 595096693 /nfs/dbraw/zinc/09/66/93/595096693.db2.gz PGSXCDLRZWHHER-KRWDZBQOSA-N 2 1 341.455 1.889 20 0 EDADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000834564480 595163565 /nfs/dbraw/zinc/16/35/65/595163565.db2.gz LBZYLQAELLQKGE-SJORKVTESA-N 2 1 329.460 1.114 20 0 EDADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000846217898 595176551 /nfs/dbraw/zinc/17/65/51/595176551.db2.gz IFDHILLOKSEFDE-OAHLLOKOSA-N 2 1 341.377 1.927 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000843061343 595276951 /nfs/dbraw/zinc/27/69/51/595276951.db2.gz FNLDATGWGWNORO-HUUCEWRRSA-N 2 1 343.265 1.529 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000843074441 595281202 /nfs/dbraw/zinc/28/12/02/595281202.db2.gz ZTWSXGMRVPLMEG-YOEHRIQHSA-N 2 1 328.403 1.825 20 0 EDADMP CCOC(=O)CN(C)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000844160104 595287535 /nfs/dbraw/zinc/28/75/35/595287535.db2.gz UJUTWGKDGCCRER-UHFFFAOYSA-N 2 1 335.448 1.202 20 0 EDADMP CCOC(=O)CN(C)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000844160104 595287537 /nfs/dbraw/zinc/28/75/37/595287537.db2.gz UJUTWGKDGCCRER-UHFFFAOYSA-N 2 1 335.448 1.202 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000844168168 595289411 /nfs/dbraw/zinc/28/94/11/595289411.db2.gz OOQAPRLAAXBVMG-DLBZAZTESA-N 2 1 341.496 1.008 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000844171056 595290110 /nfs/dbraw/zinc/29/01/10/595290110.db2.gz LMKPHCRKXSHERG-AGUYFDCRSA-N 2 1 339.399 1.329 20 0 EDADMP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844173309 595291502 /nfs/dbraw/zinc/29/15/02/595291502.db2.gz TZNXUPVHQIGMAS-ZWKOTPCHSA-N 2 1 331.460 1.536 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844186056 595296090 /nfs/dbraw/zinc/29/60/90/595296090.db2.gz FGEPNDTZKQYXGR-NZSAHSFTSA-N 2 1 345.487 1.782 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000844196121 595299332 /nfs/dbraw/zinc/29/93/32/595299332.db2.gz CLIHYDVMIYLIOT-PKOBYXMFSA-N 2 1 328.460 1.648 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000844196121 595299335 /nfs/dbraw/zinc/29/93/35/595299335.db2.gz CLIHYDVMIYLIOT-PKOBYXMFSA-N 2 1 328.460 1.648 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(C)CCOC3=O)CC2)CC1 ZINC000848104509 595319252 /nfs/dbraw/zinc/31/92/52/595319252.db2.gz RELDLUZXHJDRCC-GOSISDBHSA-N 2 1 337.464 1.005 20 0 EDADMP COc1ccccc1[C@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848524816 595402420 /nfs/dbraw/zinc/40/24/20/595402420.db2.gz XLYWMGIKVFSMCZ-SJLPKXTDSA-N 2 1 334.460 1.962 20 0 EDADMP COC(=O)N1CCC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000848550377 595404594 /nfs/dbraw/zinc/40/45/94/595404594.db2.gz KXWNSMQTMKJOBE-INIZCTEOSA-N 2 1 325.453 1.308 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000844954334 595419752 /nfs/dbraw/zinc/41/97/52/595419752.db2.gz PSLAMZOXBTXHRJ-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000844954334 595419753 /nfs/dbraw/zinc/41/97/53/595419753.db2.gz PSLAMZOXBTXHRJ-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000844954334 595419754 /nfs/dbraw/zinc/41/97/54/595419754.db2.gz PSLAMZOXBTXHRJ-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP COc1ccc(CCNC(=[NH2+])NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000849013280 595475050 /nfs/dbraw/zinc/47/50/50/595475050.db2.gz ZYTMNTWSRHMYLN-SFHVURJKSA-N 2 1 348.491 1.708 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(=O)NC2CC2)c1 ZINC000849070983 595477874 /nfs/dbraw/zinc/47/78/74/595477874.db2.gz BNOZKIHIXBYNNO-KRWDZBQOSA-N 2 1 343.475 1.677 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nccn1CC(F)(F)F ZINC000849074469 595478238 /nfs/dbraw/zinc/47/82/38/595478238.db2.gz QCVPNESVSQVPKE-NSHDSACASA-N 2 1 332.374 1.544 20 0 EDADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000845508269 595509427 /nfs/dbraw/zinc/50/94/27/595509427.db2.gz TWNVKFPBNBJMSL-ZIAGYGMSSA-N 2 1 342.484 1.042 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@H+](CCCNC(=O)OC(C)(C)C)CCO1 ZINC000852762404 595532304 /nfs/dbraw/zinc/53/23/04/595532304.db2.gz MPHKBOZYCZRBDL-HNNXBMFYSA-N 2 1 329.485 1.944 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCNC(=O)OC(C)(C)C)CCO1 ZINC000852762404 595532306 /nfs/dbraw/zinc/53/23/06/595532306.db2.gz MPHKBOZYCZRBDL-HNNXBMFYSA-N 2 1 329.485 1.944 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849495932 595550710 /nfs/dbraw/zinc/55/07/10/595550710.db2.gz GXQHVZKTDQSJOE-OIISXLGYSA-N 2 1 335.496 1.300 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852857964 595579171 /nfs/dbraw/zinc/57/91/71/595579171.db2.gz LKJCNGQKMJLYSI-PBHICJAKSA-N 2 1 344.459 1.781 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)cn1 ZINC000852858405 595580123 /nfs/dbraw/zinc/58/01/23/595580123.db2.gz BLDMCHIPKAUNPI-LBPRGKRZSA-N 2 1 337.387 1.628 20 0 EDADMP CC[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000852858872 595581186 /nfs/dbraw/zinc/58/11/86/595581186.db2.gz JTCKBDXGQRMAGV-HZPDHXFCSA-N 2 1 330.432 1.043 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1 ZINC000851763894 595913850 /nfs/dbraw/zinc/91/38/50/595913850.db2.gz YDIJQIPSHMFMMO-DLBZAZTESA-N 2 1 325.497 1.630 20 0 EDADMP COC(=O)CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1=O ZINC000859213463 596005545 /nfs/dbraw/zinc/00/55/45/596005545.db2.gz NXHDPDGPVMNRKH-QGZVFWFLSA-N 2 1 347.459 1.344 20 0 EDADMP CCNC(=O)CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591102 596025373 /nfs/dbraw/zinc/02/53/73/596025373.db2.gz IBCRIPNWAKKCKB-KRWDZBQOSA-N 2 1 334.464 1.513 20 0 EDADMP CCNC(=O)CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856591102 596025377 /nfs/dbraw/zinc/02/53/77/596025377.db2.gz IBCRIPNWAKKCKB-KRWDZBQOSA-N 2 1 334.464 1.513 20 0 EDADMP CCNC(=O)CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856591102 596025382 /nfs/dbraw/zinc/02/53/82/596025382.db2.gz IBCRIPNWAKKCKB-KRWDZBQOSA-N 2 1 334.464 1.513 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCn3cncn3)C2)ccn1 ZINC000856599482 596029681 /nfs/dbraw/zinc/02/96/81/596029681.db2.gz JNOQHFCJQYVIRV-SFHVURJKSA-N 2 1 344.463 1.667 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCn3cncn3)C2)ccn1 ZINC000856599482 596029685 /nfs/dbraw/zinc/02/96/85/596029685.db2.gz JNOQHFCJQYVIRV-SFHVURJKSA-N 2 1 344.463 1.667 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCn3cncn3)C2)ccn1 ZINC000856599482 596029691 /nfs/dbraw/zinc/02/96/91/596029691.db2.gz JNOQHFCJQYVIRV-SFHVURJKSA-N 2 1 344.463 1.667 20 0 EDADMP Cn1cc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2cccnc21 ZINC000866573113 596255249 /nfs/dbraw/zinc/25/52/49/596255249.db2.gz HZYPKQCYOLITAJ-KRWDZBQOSA-N 2 1 328.460 1.959 20 0 EDADMP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710398 596304165 /nfs/dbraw/zinc/30/41/65/596304165.db2.gz QDABRXCNEHBJLB-FKGLVLAHSA-N 2 1 337.370 1.893 20 0 EDADMP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710398 596304170 /nfs/dbraw/zinc/30/41/70/596304170.db2.gz QDABRXCNEHBJLB-FKGLVLAHSA-N 2 1 337.370 1.893 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000866712706 596305220 /nfs/dbraw/zinc/30/52/20/596305220.db2.gz VWDZUVZZCIBTEA-VVLHAWIVSA-N 2 1 331.416 1.241 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC000868791621 596307436 /nfs/dbraw/zinc/30/74/36/596307436.db2.gz RHHFFBOFKOPSOP-ZWKOTPCHSA-N 2 1 334.508 1.844 20 0 EDADMP COc1ccc(CN2CCCN(C(=O)[C@H](O)c3cnc[nH]3)CC2)cc1 ZINC000864703696 596313762 /nfs/dbraw/zinc/31/37/62/596313762.db2.gz WQOGQJILWRJLDT-QGZVFWFLSA-N 2 1 344.415 1.186 20 0 EDADMP C[C@@H](CNC(=O)CC[NH2+]CC1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000870865383 596381925 /nfs/dbraw/zinc/38/19/25/596381925.db2.gz RARQJIAXPSGANW-KRWDZBQOSA-N 2 1 344.503 1.703 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)c2csc(C3CC[NH2+]CC3)n2)C[N@H+]1C1CC1 ZINC000870928396 596409152 /nfs/dbraw/zinc/40/91/52/596409152.db2.gz FRHWTPQOVATTTD-WCQYABFASA-N 2 1 334.489 1.965 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC000869236872 596456511 /nfs/dbraw/zinc/45/65/11/596456511.db2.gz LGDKEFHLBHVKRJ-AWEZNQCLSA-N 2 1 344.463 1.474 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC000869236872 596456514 /nfs/dbraw/zinc/45/65/14/596456514.db2.gz LGDKEFHLBHVKRJ-AWEZNQCLSA-N 2 1 344.463 1.474 20 0 EDADMP C[N@H+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CCC1(C)C ZINC000871153215 596480616 /nfs/dbraw/zinc/48/06/16/596480616.db2.gz BQXBSMPIEYXXNI-UHFFFAOYSA-N 2 1 337.508 1.964 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000863555945 596617698 /nfs/dbraw/zinc/61/76/98/596617698.db2.gz KGVOLZAYNUJLMT-LJQANCHMSA-N 2 1 332.492 1.697 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000869779320 596631283 /nfs/dbraw/zinc/63/12/83/596631283.db2.gz YWGWFJNHWJXLSS-DOTOQJQBSA-N 2 1 337.508 1.745 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000869779320 596631284 /nfs/dbraw/zinc/63/12/84/596631284.db2.gz YWGWFJNHWJXLSS-DOTOQJQBSA-N 2 1 337.508 1.745 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000869779320 596631285 /nfs/dbraw/zinc/63/12/85/596631285.db2.gz YWGWFJNHWJXLSS-DOTOQJQBSA-N 2 1 337.508 1.745 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869780186 596632051 /nfs/dbraw/zinc/63/20/51/596632051.db2.gz QATUHCDGLJKJLN-ZDUSSCGKSA-N 2 1 325.478 1.385 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869780186 596632052 /nfs/dbraw/zinc/63/20/52/596632052.db2.gz QATUHCDGLJKJLN-ZDUSSCGKSA-N 2 1 325.478 1.385 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC000868215782 596728128 /nfs/dbraw/zinc/72/81/28/596728128.db2.gz BPWDFOJQEFZEIP-QGZVFWFLSA-N 2 1 340.512 1.661 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1 ZINC000866031970 596766076 /nfs/dbraw/zinc/76/60/76/596766076.db2.gz JPELBSANHLTZKI-INIZCTEOSA-N 2 1 334.464 1.715 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1)[C@H]1CCC[NH2+]1 ZINC000872142763 596808928 /nfs/dbraw/zinc/80/89/28/596808928.db2.gz CNLGHIKEAKPNIZ-NNPSNHGLSA-N 2 1 335.492 1.524 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C[N@H+]1C1CC1 ZINC000868382759 596814495 /nfs/dbraw/zinc/81/44/95/596814495.db2.gz KLHGNUBRYGFXCP-HZPDHXFCSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156186 596815635 /nfs/dbraw/zinc/81/56/35/596815635.db2.gz GAQCZOJMDPXHBM-NVXWUHKLSA-N 2 1 345.553 1.888 20 0 EDADMP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156234 596815775 /nfs/dbraw/zinc/81/57/75/596815775.db2.gz GTKMJRZSWAKPCT-GDBMZVCRSA-N 2 1 331.526 1.497 20 0 EDADMP CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156473 596816046 /nfs/dbraw/zinc/81/60/46/596816046.db2.gz KBRJHJPVZTWPGN-RDJZCZTQSA-N 2 1 345.553 1.935 20 0 EDADMP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158249 596816694 /nfs/dbraw/zinc/81/66/94/596816694.db2.gz UJHFSHNEXDHSSZ-HOCLYGCPSA-N 2 1 331.526 1.545 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CCO1 ZINC000872158702 596817164 /nfs/dbraw/zinc/81/71/64/596817164.db2.gz XENRFIYVLODVGT-NUJGCVRESA-N 2 1 337.508 1.853 20 0 EDADMP Cc1ccc([C@H](O)C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000872214265 596837906 /nfs/dbraw/zinc/83/79/06/596837906.db2.gz RVLPNGWOFAMVPL-MJGOQNOKSA-N 2 1 330.428 1.848 20 0 EDADMP Cc1ccc([C@H](O)C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000872214265 596837909 /nfs/dbraw/zinc/83/79/09/596837909.db2.gz RVLPNGWOFAMVPL-MJGOQNOKSA-N 2 1 330.428 1.848 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000872223064 596841879 /nfs/dbraw/zinc/84/18/79/596841879.db2.gz MTVJIUKWQKXJAN-DZKIICNBSA-N 2 1 341.496 1.867 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000872223064 596841881 /nfs/dbraw/zinc/84/18/81/596841881.db2.gz MTVJIUKWQKXJAN-DZKIICNBSA-N 2 1 341.496 1.867 20 0 EDADMP C[C@@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccccc1-n1ccnn1 ZINC000866412334 596880450 /nfs/dbraw/zinc/88/04/50/596880450.db2.gz HISQRPIIAIOMRU-CABCVRRESA-N 2 1 329.448 1.763 20 0 EDADMP O=C1CC2(COC2)CN1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000872559900 596965240 /nfs/dbraw/zinc/96/52/40/596965240.db2.gz CVLQUXYEVDRPBK-UHFFFAOYSA-N 2 1 335.492 1.781 20 0 EDADMP Cn1cc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c(=O)n(C)c1=O ZINC000873232152 597235267 /nfs/dbraw/zinc/23/52/67/597235267.db2.gz LVSRXMLRDBPUCK-RHSMWYFYSA-N 2 1 348.491 1.204 20 0 EDADMP C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000875046322 597258914 /nfs/dbraw/zinc/25/89/14/597258914.db2.gz JPVQIDHBVFRCAG-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000875046322 597258920 /nfs/dbraw/zinc/25/89/20/597258920.db2.gz JPVQIDHBVFRCAG-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000875046322 597258922 /nfs/dbraw/zinc/25/89/22/597258922.db2.gz JPVQIDHBVFRCAG-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000875075396 597272371 /nfs/dbraw/zinc/27/23/71/597272371.db2.gz ZOWPSQSCYLYPSC-GJZGRUSLSA-N 2 1 326.485 1.005 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876713003 597300474 /nfs/dbraw/zinc/30/04/74/597300474.db2.gz WPUCAVQBKRHPSI-IRXDYDNUSA-N 2 1 335.423 1.083 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875144587 597301846 /nfs/dbraw/zinc/30/18/46/597301846.db2.gz RSMLSXAIQIBAJL-XHSDSOJGSA-N 2 1 340.512 1.251 20 0 EDADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875144587 597301849 /nfs/dbraw/zinc/30/18/49/597301849.db2.gz RSMLSXAIQIBAJL-XHSDSOJGSA-N 2 1 340.512 1.251 20 0 EDADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000875144587 597301853 /nfs/dbraw/zinc/30/18/53/597301853.db2.gz RSMLSXAIQIBAJL-XHSDSOJGSA-N 2 1 340.512 1.251 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000876723232 597306748 /nfs/dbraw/zinc/30/67/48/597306748.db2.gz QMKMZZREAZUCOT-DJIMGWMZSA-N 2 1 347.507 1.966 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc1F ZINC000876738172 597314976 /nfs/dbraw/zinc/31/49/76/597314976.db2.gz ZNZDQIYJXWEZAZ-CJNGLKHVSA-N 2 1 334.370 1.884 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H](C)C1 ZINC000876763231 597328122 /nfs/dbraw/zinc/32/81/22/597328122.db2.gz DHSAFWBOIFTUFJ-RFGFWPKPSA-N 2 1 333.423 1.080 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000876829437 597353290 /nfs/dbraw/zinc/35/32/90/597353290.db2.gz HXMRBBFHQGGZFZ-ZYSHUDEJSA-N 2 1 338.455 1.761 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000876958632 597396527 /nfs/dbraw/zinc/39/65/27/597396527.db2.gz IZLXLEIMVXUOIC-HUUCEWRRSA-N 2 1 333.480 1.719 20 0 EDADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000876972319 597402115 /nfs/dbraw/zinc/40/21/15/597402115.db2.gz RKDFGZVDAOZQJE-ISHXATMKSA-N 2 1 334.508 1.025 20 0 EDADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000876972319 597402116 /nfs/dbraw/zinc/40/21/16/597402116.db2.gz RKDFGZVDAOZQJE-ISHXATMKSA-N 2 1 334.508 1.025 20 0 EDADMP C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000876988867 597405805 /nfs/dbraw/zinc/40/58/05/597405805.db2.gz LOVGSHBBFYOJID-AEFFLSMTSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000876988867 597405806 /nfs/dbraw/zinc/40/58/06/597405806.db2.gz LOVGSHBBFYOJID-AEFFLSMTSA-N 2 1 331.460 1.488 20 0 EDADMP CN1Cc2ccccc2[C@H](NC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000875427197 597424071 /nfs/dbraw/zinc/42/40/71/597424071.db2.gz JSBDZLDAJFBUQJ-CGTJXYLNSA-N 2 1 328.460 1.909 20 0 EDADMP C[N@@H+]1CC[C@H]2CN(C(=O)N[C@@H]3C[NH+](C)Cc4ccccc43)CC[C@H]21 ZINC000875427197 597424073 /nfs/dbraw/zinc/42/40/73/597424073.db2.gz JSBDZLDAJFBUQJ-CGTJXYLNSA-N 2 1 328.460 1.909 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)N[C@@H]3C[NH+](C)Cc4ccccc43)CC[C@H]21 ZINC000875427197 597424075 /nfs/dbraw/zinc/42/40/75/597424075.db2.gz JSBDZLDAJFBUQJ-CGTJXYLNSA-N 2 1 328.460 1.909 20 0 EDADMP C[NH+]1CC[C@H]2CN(C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)CC[C@H]21 ZINC000875427197 597424077 /nfs/dbraw/zinc/42/40/77/597424077.db2.gz JSBDZLDAJFBUQJ-CGTJXYLNSA-N 2 1 328.460 1.909 20 0 EDADMP C[NH+]1CC[C@H]2CN(C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)CC[C@H]21 ZINC000875427197 597424079 /nfs/dbraw/zinc/42/40/79/597424079.db2.gz JSBDZLDAJFBUQJ-CGTJXYLNSA-N 2 1 328.460 1.909 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000877108004 597434537 /nfs/dbraw/zinc/43/45/37/597434537.db2.gz NVSCSTVSCVVHGR-VDZJLULYSA-N 2 1 331.460 1.331 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000877232229 597471372 /nfs/dbraw/zinc/47/13/72/597471372.db2.gz ZRJHHIFLGOQSBK-GOSISDBHSA-N 2 1 345.487 1.974 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000877232229 597471374 /nfs/dbraw/zinc/47/13/74/597471374.db2.gz ZRJHHIFLGOQSBK-GOSISDBHSA-N 2 1 345.487 1.974 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)CC2)[nH+]c1 ZINC000877281856 597486126 /nfs/dbraw/zinc/48/61/26/597486126.db2.gz JUPKCZGZMMVVAI-IAGOWNOFSA-N 2 1 328.460 1.959 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H]4CSC[C@H]4C3)cn2)CC1 ZINC000877742071 597552330 /nfs/dbraw/zinc/55/23/30/597552330.db2.gz XKMLUSCMMGIDMM-JKSUJKDBSA-N 2 1 333.505 1.413 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H]4CSC[C@H]4C3)cn2)CC1 ZINC000877742071 597552331 /nfs/dbraw/zinc/55/23/31/597552331.db2.gz XKMLUSCMMGIDMM-JKSUJKDBSA-N 2 1 333.505 1.413 20 0 EDADMP C[NH+]1CCC(NC(=O)C[NH+]2CCC([C@H](O)c3ccccc3)CC2)CC1 ZINC000877928481 597564646 /nfs/dbraw/zinc/56/46/46/597564646.db2.gz WYSUPBUAYQLBGX-HXUWFJFHSA-N 2 1 345.487 1.642 20 0 EDADMP C[N@@H+](CCCn1ccnc1)C[C@H](O)c1cc(Br)no1 ZINC000878318922 597594877 /nfs/dbraw/zinc/59/48/77/597594877.db2.gz FATUNXRQLFJGFN-JTQLQIEISA-N 2 1 329.198 1.689 20 0 EDADMP Cc1cc(C)cc([C@H](O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000881412767 597607387 /nfs/dbraw/zinc/60/73/87/597607387.db2.gz GLDLUHUESDZNJG-LJQANCHMSA-N 2 1 343.475 1.594 20 0 EDADMP COC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000883191653 597682153 /nfs/dbraw/zinc/68/21/53/597682153.db2.gz GCYOHKWUUKFXSB-UFYCRDLUSA-N 2 1 348.487 1.655 20 0 EDADMP COC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000883191653 597682154 /nfs/dbraw/zinc/68/21/54/597682154.db2.gz GCYOHKWUUKFXSB-UFYCRDLUSA-N 2 1 348.487 1.655 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](O)CC(C)(C)O)CC2)CC1 ZINC000878721917 597690494 /nfs/dbraw/zinc/69/04/94/597690494.db2.gz LKWCQHYWJXZHPZ-QGZVFWFLSA-N 2 1 327.513 1.000 20 0 EDADMP CC(C)C[N@H+](CC(=O)NCc1cccnc1)CC1CC[NH+](C)CC1 ZINC000879702149 597694399 /nfs/dbraw/zinc/69/43/99/597694399.db2.gz HVAIFXNRJBYWJL-UHFFFAOYSA-N 2 1 332.492 1.998 20 0 EDADMP Cc1ccc(C[N@H+](CC(=O)NC2CC[NH+](C)CC2)CC2CC2)cn1 ZINC000878762310 597703233 /nfs/dbraw/zinc/70/32/33/597703233.db2.gz XRKFZGFMPOSEHR-UHFFFAOYSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ccc(C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CC2CC2)cn1 ZINC000878762310 597703234 /nfs/dbraw/zinc/70/32/34/597703234.db2.gz XRKFZGFMPOSEHR-UHFFFAOYSA-N 2 1 330.476 1.812 20 0 EDADMP O=C([C@@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1)N1CC[NH2+]CC1 ZINC000883416099 597739335 /nfs/dbraw/zinc/73/93/35/597739335.db2.gz LZLIJJWTZIZHSD-HUUCEWRRSA-N 2 1 329.435 1.956 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1C[C@H]1CCC2(CCOCC2)O1 ZINC000883427271 597743603 /nfs/dbraw/zinc/74/36/03/597743603.db2.gz MTGPJRZFCKGJIM-HZPDHXFCSA-N 2 1 339.480 1.034 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000883437110 597746437 /nfs/dbraw/zinc/74/64/37/597746437.db2.gz JPDXFCSPAFDUIO-HZPDHXFCSA-N 2 1 347.463 1.022 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC000883442953 597748568 /nfs/dbraw/zinc/74/85/68/597748568.db2.gz WPSBPOXLGFCWOY-JKSUJKDBSA-N 2 1 332.448 1.177 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)CC2(O)CCCCC2)CCO1 ZINC000879001231 597781527 /nfs/dbraw/zinc/78/15/27/597781527.db2.gz SYDRERSBUBHHOE-IAGOWNOFSA-N 2 1 328.497 1.475 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)CC2(O)CCCCC2)CCO1 ZINC000879001231 597781532 /nfs/dbraw/zinc/78/15/32/597781532.db2.gz SYDRERSBUBHHOE-IAGOWNOFSA-N 2 1 328.497 1.475 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879973914 597792043 /nfs/dbraw/zinc/79/20/43/597792043.db2.gz FDINZMSDCUGOAD-TVFCKZIOSA-N 2 1 337.508 1.602 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879973914 597792046 /nfs/dbraw/zinc/79/20/46/597792046.db2.gz FDINZMSDCUGOAD-TVFCKZIOSA-N 2 1 337.508 1.602 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879973914 597792048 /nfs/dbraw/zinc/79/20/48/597792048.db2.gz FDINZMSDCUGOAD-TVFCKZIOSA-N 2 1 337.508 1.602 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883585809 597814413 /nfs/dbraw/zinc/81/44/13/597814413.db2.gz YKNJORISOIGEBC-VKJFTORMSA-N 2 1 343.475 1.924 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883585806 597814754 /nfs/dbraw/zinc/81/47/54/597814754.db2.gz YKNJORISOIGEBC-IIDMSEBBSA-N 2 1 343.475 1.924 20 0 EDADMP CN(CCC[NH3+])C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883586538 597815245 /nfs/dbraw/zinc/81/52/45/597815245.db2.gz NINHWUAGWMQKNT-KRWDZBQOSA-N 2 1 331.464 1.784 20 0 EDADMP [NH3+]C/C=C/CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883586747 597815529 /nfs/dbraw/zinc/81/55/29/597815529.db2.gz RPYVDOCCMIWPHM-IMLGJKEDSA-N 2 1 329.448 1.607 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CCC(=O)OC)C2)CC1 ZINC000880037945 597817884 /nfs/dbraw/zinc/81/78/84/597817884.db2.gz NKOIOCMUUUOGIM-HNNXBMFYSA-N 2 1 339.480 1.252 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)c2ncoc2C[NH3+])CC1 ZINC000884186244 598018577 /nfs/dbraw/zinc/01/85/77/598018577.db2.gz UWHVLYYQSABVCC-UHFFFAOYSA-N 2 1 328.416 1.836 20 0 EDADMP COCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000884194336 598022591 /nfs/dbraw/zinc/02/25/91/598022591.db2.gz HCPMMMFZOQLZGO-INIZCTEOSA-N 2 1 341.402 1.409 20 0 EDADMP C[NH2+][C@@H](CC(C)C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000884194046 598022651 /nfs/dbraw/zinc/02/26/51/598022651.db2.gz XPCFJIHUDZCZEQ-IRXDYDNUSA-N 2 1 346.475 1.709 20 0 EDADMP C[NH2+][C@@H](CC(C)C)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000884194046 598022655 /nfs/dbraw/zinc/02/26/55/598022655.db2.gz XPCFJIHUDZCZEQ-IRXDYDNUSA-N 2 1 346.475 1.709 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000884198031 598024728 /nfs/dbraw/zinc/02/47/28/598024728.db2.gz LOFWGRGGFQUQLJ-MRXNPFEDSA-N 2 1 349.479 1.270 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC(C)C)[NH2+]C)[C@H](C)C1 ZINC000884221721 598034279 /nfs/dbraw/zinc/03/42/79/598034279.db2.gz YOLGAJSQBCQAOP-ZACQAIPSSA-N 2 1 327.513 1.874 20 0 EDADMP CCC[C@@H]1CN(C(=O)C(C)(C)[C@H]([NH3+])C(C)C)CC[N@H+]1CCOC ZINC000884378322 598086187 /nfs/dbraw/zinc/08/61/87/598086187.db2.gz OWDVTGAQFHBEKQ-HZPDHXFCSA-N 2 1 327.513 1.955 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](CC[C@@H]3CCCO3)C2)cc1 ZINC001031103964 695528859 /nfs/dbraw/zinc/52/88/59/695528859.db2.gz AYCIHWGGNLUJQK-SFHVURJKSA-N 2 1 331.460 1.731 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001031235006 695928726 /nfs/dbraw/zinc/92/87/26/695928726.db2.gz LKJMQKVRHVXLKA-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001031235006 695928727 /nfs/dbraw/zinc/92/87/27/695928727.db2.gz LKJMQKVRHVXLKA-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP CO[C@H](C[NH+]1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1)C1CCC1 ZINC001031236133 695933055 /nfs/dbraw/zinc/93/30/55/695933055.db2.gz OPGVYNOKTCODRO-LJQANCHMSA-N 2 1 349.519 1.724 20 0 EDADMP CN(C)c1ccccc1CN1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031252612 696014080 /nfs/dbraw/zinc/01/40/80/696014080.db2.gz KBKQQOZNIUIVMP-HNNXBMFYSA-N 2 1 330.476 1.395 20 0 EDADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cncs1 ZINC000993756238 696350668 /nfs/dbraw/zinc/35/06/68/696350668.db2.gz GNAOQZLGKBORGC-XJKSGUPXSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1cncs1 ZINC000993756238 696350670 /nfs/dbraw/zinc/35/06/70/696350670.db2.gz GNAOQZLGKBORGC-XJKSGUPXSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1ccncc1C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994248135 696637865 /nfs/dbraw/zinc/63/78/65/696637865.db2.gz DNDSGUVVXNEDST-FUHWJXTLSA-N 2 1 342.487 1.955 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001015710277 696644071 /nfs/dbraw/zinc/64/40/71/696644071.db2.gz IWVHYNUBQTXPLW-DLBZAZTESA-N 2 1 337.508 1.724 20 0 EDADMP CO[C@H](C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001015710277 696644072 /nfs/dbraw/zinc/64/40/72/696644072.db2.gz IWVHYNUBQTXPLW-DLBZAZTESA-N 2 1 337.508 1.724 20 0 EDADMP CO[C@H](C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001015710277 696644074 /nfs/dbraw/zinc/64/40/74/696644074.db2.gz IWVHYNUBQTXPLW-DLBZAZTESA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CCCO ZINC000948065941 697057095 /nfs/dbraw/zinc/05/70/95/697057095.db2.gz LDSIRPUBSWRXLK-WBVHZDCISA-N 2 1 333.476 1.713 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C)[C@@H](C)C1 ZINC000919050440 697236786 /nfs/dbraw/zinc/23/67/86/697236786.db2.gz IOSVDNGOIDPBCX-XHSDSOJGSA-N 2 1 326.485 1.127 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C)[C@@H](C)C1 ZINC000919050440 697236788 /nfs/dbraw/zinc/23/67/88/697236788.db2.gz IOSVDNGOIDPBCX-XHSDSOJGSA-N 2 1 326.485 1.127 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C)[C@@H](C)C1 ZINC000919050440 697236789 /nfs/dbraw/zinc/23/67/89/697236789.db2.gz IOSVDNGOIDPBCX-XHSDSOJGSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000924021125 697288201 /nfs/dbraw/zinc/28/82/01/697288201.db2.gz KJMSDTYWALIAPV-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP Cc1cc(C)cc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC001031593772 697292849 /nfs/dbraw/zinc/29/28/49/697292849.db2.gz HNVSZAZXPAPNQX-GOSISDBHSA-N 2 1 331.460 1.182 20 0 EDADMP Cc1cc(C)cc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001031593772 697292850 /nfs/dbraw/zinc/29/28/50/697292850.db2.gz HNVSZAZXPAPNQX-GOSISDBHSA-N 2 1 331.460 1.182 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000919634491 697307701 /nfs/dbraw/zinc/30/77/01/697307701.db2.gz JLGXMYKDGMPHLJ-UPTPFMHGSA-N 2 1 338.496 1.413 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000995033420 700151194 /nfs/dbraw/zinc/15/11/94/700151194.db2.gz AMQOGBFDALQDEZ-RDJZCZTQSA-N 2 1 327.432 1.661 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=S)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000920306572 697418930 /nfs/dbraw/zinc/41/89/30/697418930.db2.gz ALRJYZZJHJRFJN-OKILXGFUSA-N 2 1 342.553 1.433 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=S)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000920306572 697418932 /nfs/dbraw/zinc/41/89/32/697418932.db2.gz ALRJYZZJHJRFJN-OKILXGFUSA-N 2 1 342.553 1.433 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031669722 697465459 /nfs/dbraw/zinc/46/54/59/697465459.db2.gz RZBIGVURGDYHFD-HOTGVXAUSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031669722 697465460 /nfs/dbraw/zinc/46/54/60/697465460.db2.gz RZBIGVURGDYHFD-HOTGVXAUSA-N 2 1 332.448 1.405 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2CN(Cc3cc(C4CC4)no3)C2)CC[N@H+]1C ZINC001031681403 697504457 /nfs/dbraw/zinc/50/44/57/697504457.db2.gz QHIDABPZZIANER-MLGOLLRUSA-N 2 1 332.448 1.440 20 0 EDADMP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)cs1 ZINC001031688812 697527136 /nfs/dbraw/zinc/52/71/36/697527136.db2.gz LLLOBYWUTLXOPM-DLBZAZTESA-N 2 1 349.500 1.468 20 0 EDADMP Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)c1 ZINC001031688860 697527612 /nfs/dbraw/zinc/52/76/12/697527612.db2.gz MUDSRSFJVITTLL-MOPGFXCFSA-N 2 1 343.471 1.406 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2nccs2)C1 ZINC000995035855 700181342 /nfs/dbraw/zinc/18/13/42/700181342.db2.gz JHAPLJJKQJEVIQ-ZIAGYGMSSA-N 2 1 333.461 1.723 20 0 EDADMP O=C(NCC1C[NH+](C[C@H]2CCCOC2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001031732154 698124176 /nfs/dbraw/zinc/12/41/76/698124176.db2.gz VPUMNIOGCCUOMH-ZBFHGGJFSA-N 2 1 332.448 1.235 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](C(C)C)C2)CC1 ZINC000941471016 701549903 /nfs/dbraw/zinc/54/99/03/701549903.db2.gz NFZXKXWCPPUWKX-GOSISDBHSA-N 2 1 336.524 1.344 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031766108 699055464 /nfs/dbraw/zinc/05/54/64/699055464.db2.gz BINDVWVYWKHZKV-FUHWJXTLSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001031766108 699055465 /nfs/dbraw/zinc/05/54/65/699055465.db2.gz BINDVWVYWKHZKV-FUHWJXTLSA-N 2 1 346.475 1.856 20 0 EDADMP CN(CC[N@@H+](C)CCCNC(=O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000180960661 699057070 /nfs/dbraw/zinc/05/70/70/699057070.db2.gz WSNMYWUHKMQPAI-UHFFFAOYSA-N 2 1 338.418 1.013 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)cs1 ZINC000939063082 699105676 /nfs/dbraw/zinc/10/56/76/699105676.db2.gz ACFFBSKZJVGNOP-LRDDRELGSA-N 2 1 336.505 1.730 20 0 EDADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000939055008 699115683 /nfs/dbraw/zinc/11/56/83/699115683.db2.gz RYHYPJHDBOGXNO-CZUORRHYSA-N 2 1 346.475 1.830 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)no1 ZINC000939129367 699208670 /nfs/dbraw/zinc/20/86/70/699208670.db2.gz WEZZYFKXVODHLC-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)no1 ZINC000939129367 699208671 /nfs/dbraw/zinc/20/86/71/699208671.db2.gz WEZZYFKXVODHLC-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)no1 ZINC000939257144 699434379 /nfs/dbraw/zinc/43/43/79/699434379.db2.gz KGZTXSHUQZYALN-CXAGYDPISA-N 2 1 334.464 1.651 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cnon3)C2)CC1 ZINC000939449440 699581888 /nfs/dbraw/zinc/58/18/88/699581888.db2.gz XOMAGSWCSUNQKH-XJKSGUPXSA-N 2 1 335.452 1.127 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCN(C3C[NH+](CC4CCCC4)C3)CC2)C1 ZINC000941638238 701602742 /nfs/dbraw/zinc/60/27/42/701602742.db2.gz ABTIGMIVPQXJIF-GOSISDBHSA-N 2 1 348.535 1.347 20 0 EDADMP CCn1ncnc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000940154244 700284183 /nfs/dbraw/zinc/28/41/83/700284183.db2.gz RBMIGCSKTQFLMC-UHFFFAOYSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2cnc(C)o2)CC1 ZINC000940214800 700354943 /nfs/dbraw/zinc/35/49/43/700354943.db2.gz XCXIIBGQAPROAX-UHFFFAOYSA-N 2 1 331.420 1.659 20 0 EDADMP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]Cc3cnsn3)CC2)CC1 ZINC000940296480 700468164 /nfs/dbraw/zinc/46/81/64/700468164.db2.gz MIVXCARUZWDKBM-UHFFFAOYSA-N 2 1 337.493 1.351 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3csnn3)CC2)C1 ZINC000940327939 700505127 /nfs/dbraw/zinc/50/51/27/700505127.db2.gz AFMDVQOSUWNWRW-CYBMUJFWSA-N 2 1 337.493 1.351 20 0 EDADMP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000940327870 700505421 /nfs/dbraw/zinc/50/54/21/700505421.db2.gz XOZLLOPXANMIQQ-UKRRQHHQSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940328397 700507022 /nfs/dbraw/zinc/50/70/22/700507022.db2.gz ITFSQANUZAPJGK-OAHLLOKOSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000940328553 700507128 /nfs/dbraw/zinc/50/71/28/700507128.db2.gz KLNJTXZCDDFEGI-ZDUSSCGKSA-N 2 1 335.452 1.333 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000940328553 700507131 /nfs/dbraw/zinc/50/71/31/700507131.db2.gz KLNJTXZCDDFEGI-ZDUSSCGKSA-N 2 1 335.452 1.333 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]Cc3ccccc3)CC2)C1 ZINC000940466796 700652738 /nfs/dbraw/zinc/65/27/38/700652738.db2.gz GZJVXKABLKSRQI-SFHVURJKSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]Cc3ccccc3)CC2)C1 ZINC000940466796 700652740 /nfs/dbraw/zinc/65/27/40/700652740.db2.gz GZJVXKABLKSRQI-SFHVURJKSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940472533 700657906 /nfs/dbraw/zinc/65/79/06/700657906.db2.gz BVRIZJFQFDNLNP-QGZVFWFLSA-N 2 1 347.507 1.765 20 0 EDADMP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000940461842 700665337 /nfs/dbraw/zinc/66/53/37/700665337.db2.gz NOHKCXXTZFCGJX-UHFFFAOYSA-N 2 1 344.463 1.579 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940751951 700889700 /nfs/dbraw/zinc/88/97/00/700889700.db2.gz XEWLMFWASYQKDC-KRWDZBQOSA-N 2 1 349.523 1.931 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCOC2)CC1(C)C ZINC000940892787 700968087 /nfs/dbraw/zinc/96/80/87/700968087.db2.gz KEOJDGIJTBVCDJ-JKSUJKDBSA-N 2 1 334.464 1.445 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)CC1(C)C ZINC000940892787 700968088 /nfs/dbraw/zinc/96/80/88/700968088.db2.gz KEOJDGIJTBVCDJ-JKSUJKDBSA-N 2 1 334.464 1.445 20 0 EDADMP CC1(C)C[N@@H+](CCF)CC[C@@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000940901326 700976342 /nfs/dbraw/zinc/97/63/42/700976342.db2.gz MEQTWVXNYICYHO-DIODGJHASA-N 2 1 339.455 1.036 20 0 EDADMP CC1(C)C[NH+](CCF)CC[C@@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000940901326 700976344 /nfs/dbraw/zinc/97/63/44/700976344.db2.gz MEQTWVXNYICYHO-DIODGJHASA-N 2 1 339.455 1.036 20 0 EDADMP CC1(C)C[NH+](CCF)CC[C@@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000940901326 700976345 /nfs/dbraw/zinc/97/63/45/700976345.db2.gz MEQTWVXNYICYHO-DIODGJHASA-N 2 1 339.455 1.036 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902239 700977061 /nfs/dbraw/zinc/97/70/61/700977061.db2.gz ZTHYAABHKOKQLR-YJTLQXIOSA-N 2 1 335.492 1.475 20 0 EDADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902239 700977062 /nfs/dbraw/zinc/97/70/62/700977062.db2.gz ZTHYAABHKOKQLR-YJTLQXIOSA-N 2 1 335.492 1.475 20 0 EDADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902239 700977063 /nfs/dbraw/zinc/97/70/63/700977063.db2.gz ZTHYAABHKOKQLR-YJTLQXIOSA-N 2 1 335.492 1.475 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C)CC2 ZINC000940986784 701040871 /nfs/dbraw/zinc/04/08/71/701040871.db2.gz LNSRNFVWJZFGCV-NVXWUHKLSA-N 2 1 348.491 1.353 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C)CC2 ZINC000940986784 701040872 /nfs/dbraw/zinc/04/08/72/701040872.db2.gz LNSRNFVWJZFGCV-NVXWUHKLSA-N 2 1 348.491 1.353 20 0 EDADMP Cc1ncc2n1C[C@H](C(=O)N[C@H]1CC[N@@H+](CCF)CC1(C)C)CC2 ZINC000940988086 701041832 /nfs/dbraw/zinc/04/18/32/701041832.db2.gz QWWDDGOPTSHWLF-ZBFHGGJFSA-N 2 1 336.455 1.940 20 0 EDADMP Cc1ncc2n1C[C@H](C(=O)N[C@H]1CCN(CCF)CC1(C)C)CC2 ZINC000940988086 701041834 /nfs/dbraw/zinc/04/18/34/701041834.db2.gz QWWDDGOPTSHWLF-ZBFHGGJFSA-N 2 1 336.455 1.940 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)O)CC1(C)C ZINC000941067694 701115874 /nfs/dbraw/zinc/11/58/74/701115874.db2.gz FTMQBFRXXBYUTK-CABCVRRESA-N 2 1 336.480 1.604 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C[C@@H](C)O)CC1(C)C ZINC000941067694 701115876 /nfs/dbraw/zinc/11/58/76/701115876.db2.gz FTMQBFRXXBYUTK-CABCVRRESA-N 2 1 336.480 1.604 20 0 EDADMP Cc1ncccc1C[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2)[C@H](C)C1 ZINC000945806335 701196122 /nfs/dbraw/zinc/19/61/22/701196122.db2.gz CQEVJZPUGVQLMP-RHSMWYFYSA-N 2 1 327.432 1.613 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1C[NH+](CC3CCOCC3)C1)CC2 ZINC001031931738 701371442 /nfs/dbraw/zinc/37/14/42/701371442.db2.gz NDXQMIODKCWUFK-QGZVFWFLSA-N 2 1 346.475 1.229 20 0 EDADMP CC1(C)C[N@@H+](CC[C@@H]2CCOC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167097 701378092 /nfs/dbraw/zinc/37/80/92/701378092.db2.gz QUTNCXMTXLMARH-SJORKVTESA-N 2 1 349.519 1.726 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)CC2(C)C)c1 ZINC000941237137 701427822 /nfs/dbraw/zinc/42/78/22/701427822.db2.gz ITWHKRDUIOSANK-GOSISDBHSA-N 2 1 347.503 1.961 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOC)CC1(C)C ZINC000941238673 701429156 /nfs/dbraw/zinc/42/91/56/701429156.db2.gz ZMRWNJGENRSEPS-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCOC)CC1(C)C ZINC000941238673 701429157 /nfs/dbraw/zinc/42/91/57/701429157.db2.gz ZMRWNJGENRSEPS-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCOC)CC1(C)C ZINC000941238673 701429158 /nfs/dbraw/zinc/42/91/58/701429158.db2.gz ZMRWNJGENRSEPS-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](C(C)C)C3)CC2)C1 ZINC000941433210 701538883 /nfs/dbraw/zinc/53/88/83/701538883.db2.gz REFCOTAZEJKNST-KRWDZBQOSA-N 2 1 336.524 1.201 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941442806 701542577 /nfs/dbraw/zinc/54/25/77/701542577.db2.gz DBHPHXRVFBQWQG-SFHVURJKSA-N 2 1 348.535 1.655 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941442806 701542578 /nfs/dbraw/zinc/54/25/78/701542578.db2.gz DBHPHXRVFBQWQG-SFHVURJKSA-N 2 1 348.535 1.655 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130953 701848968 /nfs/dbraw/zinc/84/89/68/701848968.db2.gz AZQXPTLKIVMYLM-UHFFFAOYSA-N 2 1 332.448 1.189 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1F ZINC001031976466 701962320 /nfs/dbraw/zinc/96/23/20/701962320.db2.gz MMANZFOGDVCLAZ-YOEHRIQHSA-N 2 1 333.451 1.880 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cc1F ZINC001031976466 701962327 /nfs/dbraw/zinc/96/23/27/701962327.db2.gz MMANZFOGDVCLAZ-YOEHRIQHSA-N 2 1 333.451 1.880 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cc1F ZINC001031976463 701962524 /nfs/dbraw/zinc/96/25/24/701962524.db2.gz MMANZFOGDVCLAZ-PBHICJAKSA-N 2 1 333.451 1.880 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cc1F ZINC001031976463 701962526 /nfs/dbraw/zinc/96/25/26/701962526.db2.gz MMANZFOGDVCLAZ-PBHICJAKSA-N 2 1 333.451 1.880 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1C[NH+](CC[C@H]3CCOC3)C1)C2 ZINC001031978047 701984195 /nfs/dbraw/zinc/98/41/95/701984195.db2.gz MZPMCIJLLROARQ-DOTOQJQBSA-N 2 1 346.475 1.229 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000999189260 706631364 /nfs/dbraw/zinc/63/13/64/706631364.db2.gz JOJJGTBYQRZCDP-BZUAXINKSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000999189260 706631370 /nfs/dbraw/zinc/63/13/70/706631370.db2.gz JOJJGTBYQRZCDP-BZUAXINKSA-N 2 1 331.464 1.206 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)CC[N@@H+]1C ZINC000999191315 706633881 /nfs/dbraw/zinc/63/38/81/706633881.db2.gz XKIHTHLTSNZLDA-BPLDGKMQSA-N 2 1 346.479 1.103 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)CC[N@H+]1C ZINC000999191315 706633883 /nfs/dbraw/zinc/63/38/83/706633883.db2.gz XKIHTHLTSNZLDA-BPLDGKMQSA-N 2 1 346.479 1.103 20 0 EDADMP CCn1nnc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999191516 706634081 /nfs/dbraw/zinc/63/40/81/706634081.db2.gz YWQYKRAKEXFLLC-BZUAXINKSA-N 2 1 348.495 1.027 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1cscn1 ZINC000995821556 702090641 /nfs/dbraw/zinc/09/06/41/702090641.db2.gz IUERKKOGANOMMG-JKSUJKDBSA-N 2 1 348.516 1.812 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000995893736 702195215 /nfs/dbraw/zinc/19/52/15/702195215.db2.gz IZNCGLSNTGCKQV-HOTGVXAUSA-N 2 1 333.480 1.050 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1C[C@H]([NH2+]Cc2cscn2)C(C)(C)C1)C1CC1 ZINC000995903551 702212131 /nfs/dbraw/zinc/21/21/31/702212131.db2.gz LEQYTZNYGYGJAA-GJZGRUSLSA-N 2 1 336.505 1.810 20 0 EDADMP C[C@@H]([NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C)c1ncccn1 ZINC000995919432 702239518 /nfs/dbraw/zinc/23/95/18/702239518.db2.gz QOKOQVZSLXGNHS-ZBFHGGJFSA-N 2 1 345.491 1.849 20 0 EDADMP C[C@@H]([NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C)c1ncccn1 ZINC000995919432 702239521 /nfs/dbraw/zinc/23/95/21/702239521.db2.gz QOKOQVZSLXGNHS-ZBFHGGJFSA-N 2 1 345.491 1.849 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ncccn2)C(C)(C)C1)[NH+](C)C ZINC000995922578 702245978 /nfs/dbraw/zinc/24/59/78/702245978.db2.gz FMFBVBSWQZSVLQ-HOCLYGCPSA-N 2 1 333.480 1.389 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)o1 ZINC000995927205 702255330 /nfs/dbraw/zinc/25/53/30/702255330.db2.gz RHMUHYCGZSTFCU-HOCLYGCPSA-N 2 1 336.480 1.896 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995912423 702269912 /nfs/dbraw/zinc/26/99/12/702269912.db2.gz DQIZJUPIUGMBQV-CVEARBPZSA-N 2 1 334.464 1.876 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995912423 702269917 /nfs/dbraw/zinc/26/99/17/702269917.db2.gz DQIZJUPIUGMBQV-CVEARBPZSA-N 2 1 334.464 1.876 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCc3c(F)cccc3F)C2)C1 ZINC001032186754 702281600 /nfs/dbraw/zinc/28/16/00/702281600.db2.gz VVGZTYNJVSCRPS-AWEZNQCLSA-N 2 1 337.414 1.507 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CCc3c(F)cccc3F)C2)C1 ZINC001032186754 702281606 /nfs/dbraw/zinc/28/16/06/702281606.db2.gz VVGZTYNJVSCRPS-AWEZNQCLSA-N 2 1 337.414 1.507 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC([NH2+]Cc2csnn2)C1 ZINC000999222464 706655681 /nfs/dbraw/zinc/65/56/81/706655681.db2.gz HDAKLGHYSCEWPK-UHFFFAOYSA-N 2 1 337.493 1.492 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC001032185845 702309840 /nfs/dbraw/zinc/30/98/40/702309840.db2.gz DFASIMAVGZGPPZ-KRWDZBQOSA-N 2 1 343.471 1.259 20 0 EDADMP Cc1nocc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995193657 702369889 /nfs/dbraw/zinc/36/98/89/702369889.db2.gz FCIYQIXBURITBI-GDBMZVCRSA-N 2 1 331.420 1.563 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995995956 702374139 /nfs/dbraw/zinc/37/41/39/702374139.db2.gz JIDVRCGCWVFPHM-HNNXBMFYSA-N 2 1 347.463 1.333 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)nn1C ZINC000944170001 702412673 /nfs/dbraw/zinc/41/26/73/702412673.db2.gz RJIAPMWFJQXFEV-RHSMWYFYSA-N 2 1 345.491 1.151 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)nn1C ZINC000944170001 702412676 /nfs/dbraw/zinc/41/26/76/702412676.db2.gz RJIAPMWFJQXFEV-RHSMWYFYSA-N 2 1 345.491 1.151 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1 ZINC000996299908 702691259 /nfs/dbraw/zinc/69/12/59/702691259.db2.gz GPKDLFIZRVSSLK-ZBFHGGJFSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996300208 702691856 /nfs/dbraw/zinc/69/18/56/702691856.db2.gz KHWJJHNMXAWGRP-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996300641 702692300 /nfs/dbraw/zinc/69/23/00/702692300.db2.gz NYSBMIFPPZNSJR-GDBMZVCRSA-N 2 1 333.480 1.231 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]CCn3cccn3)C(C)(C)C2)C1 ZINC000996309767 702699215 /nfs/dbraw/zinc/69/92/15/702699215.db2.gz KRNBJEYAIPQKDQ-MRXNPFEDSA-N 2 1 347.507 1.442 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000996462748 702790282 /nfs/dbraw/zinc/79/02/82/702790282.db2.gz ATSFSIVAFUTSOC-GOSISDBHSA-N 2 1 347.507 1.416 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996465862 702793041 /nfs/dbraw/zinc/79/30/41/702793041.db2.gz ZKTNEFXMBFREAJ-SJLPKXTDSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(C)(C)N2CC[NH2+]CC2)cn1 ZINC000325313157 702805588 /nfs/dbraw/zinc/80/55/88/702805588.db2.gz UFSQLNNQVSJYET-UHFFFAOYSA-N 2 1 328.420 1.198 20 0 EDADMP Cc1conc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996502125 702840535 /nfs/dbraw/zinc/84/05/35/702840535.db2.gz RFSXJZKDKRMPLX-RDJZCZTQSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)co1 ZINC000996517664 702852854 /nfs/dbraw/zinc/85/28/54/702852854.db2.gz GGIWFYQPKWAZEI-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)co1 ZINC000996517664 702852857 /nfs/dbraw/zinc/85/28/57/702852857.db2.gz GGIWFYQPKWAZEI-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000996561042 702875295 /nfs/dbraw/zinc/87/52/95/702875295.db2.gz OCFXWSBVLYQOCV-HNNXBMFYSA-N 2 1 347.463 1.054 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996607705 702910976 /nfs/dbraw/zinc/91/09/76/702910976.db2.gz DPBVWOGNXWYBII-HOTGVXAUSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1csc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996608368 702911551 /nfs/dbraw/zinc/91/15/51/702911551.db2.gz RXLYXIBHVJTEDN-UKRRQHHQSA-N 2 1 336.505 1.872 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3cncc(F)c3)CC2)CC[N@H+]1C ZINC000996605132 702914567 /nfs/dbraw/zinc/91/45/67/702914567.db2.gz BCXLPJQYDBOJNE-CXAGYDPISA-N 2 1 334.439 1.642 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC000996608864 702915135 /nfs/dbraw/zinc/91/51/35/702915135.db2.gz UAIBWFNBRKUYCX-BFYDXBDKSA-N 2 1 345.491 1.767 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3ccc(F)cn3)CC2)CC[N@H+]1C ZINC000996610137 702921063 /nfs/dbraw/zinc/92/10/63/702921063.db2.gz YUAQOCAITNMJJX-CXAGYDPISA-N 2 1 334.439 1.642 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)oc1C ZINC000996616850 702923750 /nfs/dbraw/zinc/92/37/50/702923750.db2.gz UNZCNUNUPFCHMU-GJZGRUSLSA-N 2 1 334.464 1.570 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)oc1C ZINC000996616850 702923752 /nfs/dbraw/zinc/92/37/52/702923752.db2.gz UNZCNUNUPFCHMU-GJZGRUSLSA-N 2 1 334.464 1.570 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000942446008 702941876 /nfs/dbraw/zinc/94/18/76/702941876.db2.gz ZOMBRGJUAPBURN-HOCLYGCPSA-N 2 1 343.431 1.354 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3)C(C)(C)C2)C1 ZINC000996649467 702951500 /nfs/dbraw/zinc/95/15/00/702951500.db2.gz UVRAQVLQZPEGJB-MSOLQXFVSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3)C(C)(C)C2)C1 ZINC000996649467 702951501 /nfs/dbraw/zinc/95/15/01/702951501.db2.gz UVRAQVLQZPEGJB-MSOLQXFVSA-N 2 1 345.487 1.734 20 0 EDADMP CCCn1ncnc1C[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000996663933 702962036 /nfs/dbraw/zinc/96/20/36/702962036.db2.gz AUWLXFIZPMXOAK-UHFFFAOYSA-N 2 1 348.495 1.253 20 0 EDADMP CC[C@H]([NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1)C(N)=O ZINC000996667389 702964505 /nfs/dbraw/zinc/96/45/05/702964505.db2.gz AXLTZJYYVKEQJF-HOTGVXAUSA-N 2 1 338.496 1.094 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)C(C)(C)C1 ZINC000996670953 702972185 /nfs/dbraw/zinc/97/21/85/702972185.db2.gz LIONNBXYOAAWLX-JKSUJKDBSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)no1 ZINC000996678275 702977082 /nfs/dbraw/zinc/97/70/82/702977082.db2.gz LXMCXADIWJGGCJ-NHYWBVRUSA-N 2 1 335.452 1.360 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)no1 ZINC000996678508 702977223 /nfs/dbraw/zinc/97/72/23/702977223.db2.gz OAFGIVKIYCWQTH-INIZCTEOSA-N 2 1 343.431 1.838 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942518680 703019890 /nfs/dbraw/zinc/01/98/90/703019890.db2.gz VIFXYHLWVQSIAP-CXAGYDPISA-N 2 1 345.447 1.769 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942518680 703019894 /nfs/dbraw/zinc/01/98/94/703019894.db2.gz VIFXYHLWVQSIAP-CXAGYDPISA-N 2 1 345.447 1.769 20 0 EDADMP Cc1cncc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000996728309 703023015 /nfs/dbraw/zinc/02/30/15/703023015.db2.gz IQCWMZFBCRWLPQ-GOSISDBHSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2ccc(C)nc2C)CC1 ZINC000996796963 703089232 /nfs/dbraw/zinc/08/92/32/703089232.db2.gz DDQOPURYHFXBSS-UHFFFAOYSA-N 2 1 341.459 1.984 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032044625 703245794 /nfs/dbraw/zinc/24/57/94/703245794.db2.gz VRATYTUTKFXFDB-RTBURBONSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032044625 703245796 /nfs/dbraw/zinc/24/57/96/703245796.db2.gz VRATYTUTKFXFDB-RTBURBONSA-N 2 1 342.487 1.955 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3cc(C4CC4)no3)CC2)C1 ZINC000997005767 703263050 /nfs/dbraw/zinc/26/30/50/703263050.db2.gz KFZSHNGHCLRXKU-AWEZNQCLSA-N 2 1 346.475 1.974 20 0 EDADMP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000997006210 703263335 /nfs/dbraw/zinc/26/33/35/703263335.db2.gz FLJAKSHUYFKRGB-CZUORRHYSA-N 2 1 348.491 1.824 20 0 EDADMP Cc1ccncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997008365 703266168 /nfs/dbraw/zinc/26/61/68/703266168.db2.gz LSDWKWMPJWJYJE-MAUKXSAKSA-N 2 1 330.476 1.668 20 0 EDADMP CCc1noc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997009262 703269895 /nfs/dbraw/zinc/26/98/95/703269895.db2.gz ZGEMZNXYCKCLOQ-KGLIPLIRSA-N 2 1 349.479 1.615 20 0 EDADMP CCc1noc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997009262 703269896 /nfs/dbraw/zinc/26/98/96/703269896.db2.gz ZGEMZNXYCKCLOQ-KGLIPLIRSA-N 2 1 349.479 1.615 20 0 EDADMP COC(=O)c1ccc(C[NH2+]CCCCN2CC[NH+](C)CC2)c(F)c1 ZINC000921525985 703359356 /nfs/dbraw/zinc/35/93/56/703359356.db2.gz DCNBZNVRDNUXTA-UHFFFAOYSA-N 2 1 337.439 1.730 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC[NH+](CCF)CC1 ZINC000997229433 703505116 /nfs/dbraw/zinc/50/51/16/703505116.db2.gz VXGRGSDWAWVGJN-KDWRMLKXSA-N 2 1 339.455 1.036 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(Cl)nc3)CC2)C1 ZINC000997300443 703543965 /nfs/dbraw/zinc/54/39/65/703543965.db2.gz VCQOKVZHNLJBQT-CQSZACIVSA-N 2 1 336.867 1.767 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccc(C)n2)CC1 ZINC000997365301 703597073 /nfs/dbraw/zinc/59/70/73/703597073.db2.gz RAAMPZQJMRNTOU-KRWDZBQOSA-N 2 1 345.491 1.740 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000997366004 703599738 /nfs/dbraw/zinc/59/97/38/703599738.db2.gz XJXIZGOOWFFESZ-KRWDZBQOSA-N 2 1 333.480 1.375 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCOCC1 ZINC001032445629 703614281 /nfs/dbraw/zinc/61/42/81/703614281.db2.gz NALGDXZJAFJAEZ-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032445629 703614282 /nfs/dbraw/zinc/61/42/82/703614282.db2.gz NALGDXZJAFJAEZ-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032445629 703614283 /nfs/dbraw/zinc/61/42/83/703614283.db2.gz NALGDXZJAFJAEZ-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997595587 703884684 /nfs/dbraw/zinc/88/46/84/703884684.db2.gz FQKBJTSYVUWEAJ-HDMKZQKVSA-N 2 1 347.507 1.477 20 0 EDADMP Cc1ccnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997609120 703908304 /nfs/dbraw/zinc/90/83/04/703908304.db2.gz ZXGRVSHMBOALSH-INIZCTEOSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997613698 703913255 /nfs/dbraw/zinc/91/32/55/703913255.db2.gz PIQCVIYCIBQPEX-QGZVFWFLSA-N 2 1 331.464 1.207 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001004200965 703928043 /nfs/dbraw/zinc/92/80/43/703928043.db2.gz HEHNTXGCPHCITM-KRWDZBQOSA-N 2 1 333.480 1.375 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001004200965 703928047 /nfs/dbraw/zinc/92/80/47/703928047.db2.gz HEHNTXGCPHCITM-KRWDZBQOSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001004206487 703964511 /nfs/dbraw/zinc/96/45/11/703964511.db2.gz MFAZIVSWCRYDJL-IYBDPMFKSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CC3CCCC3)C2)C1 ZINC000999291596 706785211 /nfs/dbraw/zinc/78/52/11/706785211.db2.gz DCCVZBNWJWIYOS-ABHNRTSZSA-N 2 1 337.508 1.865 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CC3CCCC3)C2)C1 ZINC000999291596 706785213 /nfs/dbraw/zinc/78/52/13/706785213.db2.gz DCCVZBNWJWIYOS-ABHNRTSZSA-N 2 1 337.508 1.865 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cncn3C)C2)CC[N@H+]1C ZINC000999293994 706791268 /nfs/dbraw/zinc/79/12/68/706791268.db2.gz OQVFWMOREJZFDJ-FXQLRMTLSA-N 2 1 333.480 1.229 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001033082297 704138893 /nfs/dbraw/zinc/13/88/93/704138893.db2.gz QAFRQFKNADGLOF-MSOLQXFVSA-N 2 1 343.475 1.160 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001033082297 704138896 /nfs/dbraw/zinc/13/88/96/704138896.db2.gz QAFRQFKNADGLOF-MSOLQXFVSA-N 2 1 343.475 1.160 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cncs3)C2)CC[N@@H+]1C ZINC001033098367 704201146 /nfs/dbraw/zinc/20/11/46/704201146.db2.gz GSAWOLGQBCPFIC-CWRNSKLLSA-N 2 1 336.505 1.906 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cncs3)C2)CC[N@H+]1C ZINC001033098367 704201148 /nfs/dbraw/zinc/20/11/48/704201148.db2.gz GSAWOLGQBCPFIC-CWRNSKLLSA-N 2 1 336.505 1.906 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cncs3)C2)CC[NH+]1C ZINC001033098367 704201152 /nfs/dbraw/zinc/20/11/52/704201152.db2.gz GSAWOLGQBCPFIC-CWRNSKLLSA-N 2 1 336.505 1.906 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cncs3)C2)CC[NH+]1C ZINC001033098367 704201154 /nfs/dbraw/zinc/20/11/54/704201154.db2.gz GSAWOLGQBCPFIC-CWRNSKLLSA-N 2 1 336.505 1.906 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nocc2C)C1 ZINC000999306765 706811830 /nfs/dbraw/zinc/81/18/30/706811830.db2.gz LZTJVAWMUBMFRF-WBVHZDCISA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nocc2C)C1 ZINC000999306765 706811832 /nfs/dbraw/zinc/81/18/32/706811832.db2.gz LZTJVAWMUBMFRF-WBVHZDCISA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nncs2)C1 ZINC000999311113 706812229 /nfs/dbraw/zinc/81/22/29/706812229.db2.gz YSUWSWOTVSGEEZ-UONOGXRCSA-N 2 1 337.493 1.493 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nncs2)C1 ZINC000999311113 706812231 /nfs/dbraw/zinc/81/22/31/706812231.db2.gz YSUWSWOTVSGEEZ-UONOGXRCSA-N 2 1 337.493 1.493 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000999311261 706814036 /nfs/dbraw/zinc/81/40/36/706814036.db2.gz ZZVCOZCQFUBEMN-HIFRSBDPSA-N 2 1 337.493 1.493 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)C2CC[NH+](CCCO)CC2)C1 ZINC000997726744 704616586 /nfs/dbraw/zinc/61/65/86/704616586.db2.gz UZEVZKXAJMPXSQ-WMZOPIPTSA-N 2 1 339.524 1.708 20 0 EDADMP O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997803896 704715700 /nfs/dbraw/zinc/71/57/00/704715700.db2.gz NZILDFQYQLEQMQ-QZTJIDSGSA-N 2 1 335.492 1.478 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997820642 704739290 /nfs/dbraw/zinc/73/92/90/704739290.db2.gz IOKXXFDRAOHHNC-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC000944921025 704773109 /nfs/dbraw/zinc/77/31/09/704773109.db2.gz XRMNXMMMWNJESP-HOCLYGCPSA-N 2 1 348.491 1.968 20 0 EDADMP Cc1cccnc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944943601 704796348 /nfs/dbraw/zinc/79/63/48/704796348.db2.gz IZRBMLTVDBZUQE-DLBZAZTESA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944964887 704834060 /nfs/dbraw/zinc/83/40/60/704834060.db2.gz MSXSQTVGMQPRMR-WFASDCNBSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1ncsc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944964887 704834064 /nfs/dbraw/zinc/83/40/64/704834064.db2.gz MSXSQTVGMQPRMR-WFASDCNBSA-N 2 1 347.488 1.983 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2CC(OCC)C2)CC1 ZINC000948634014 704993516 /nfs/dbraw/zinc/99/35/16/704993516.db2.gz JETIHKNQWTWEJJ-DAWZGUTISA-N 2 1 337.508 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2CC(OCC)C2)CC1 ZINC000948634014 704993519 /nfs/dbraw/zinc/99/35/19/704993519.db2.gz JETIHKNQWTWEJJ-DAWZGUTISA-N 2 1 337.508 1.820 20 0 EDADMP CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000998078841 705292214 /nfs/dbraw/zinc/29/22/14/705292214.db2.gz MPIXRCIQCCZVIZ-CRAIPNDOSA-N 2 1 347.507 1.429 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3ccon3)CC2)C1 ZINC000998082109 705308509 /nfs/dbraw/zinc/30/85/09/705308509.db2.gz NNNWXCFQMXRYLP-UHFFFAOYSA-N 2 1 334.464 1.735 20 0 EDADMP Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998265346 705632016 /nfs/dbraw/zinc/63/20/16/705632016.db2.gz LRDNJALCHVNGES-INIZCTEOSA-N 2 1 331.464 1.065 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000998266068 705637935 /nfs/dbraw/zinc/63/79/35/705637935.db2.gz ORXAELXSVCFRCF-KRWDZBQOSA-N 2 1 331.464 1.065 20 0 EDADMP CCc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000998268056 705640038 /nfs/dbraw/zinc/64/00/38/705640038.db2.gz AJYONDHGUXADGP-HNNXBMFYSA-N 2 1 334.464 1.517 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2C)o1 ZINC000945332282 705644146 /nfs/dbraw/zinc/64/41/46/705644146.db2.gz BVYHDNNEHCDSOK-HOCLYGCPSA-N 2 1 337.464 1.554 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998286258 705681856 /nfs/dbraw/zinc/68/18/56/705681856.db2.gz JXNFRSABQSTUPS-OKILXGFUSA-N 2 1 335.452 1.271 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@@H]2CCOC2)C1 ZINC001032628741 705746177 /nfs/dbraw/zinc/74/61/77/705746177.db2.gz DTJLLOPUQPISIW-IKGGRYGDSA-N 2 1 335.492 1.430 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCOC2)C1 ZINC001032628741 705746180 /nfs/dbraw/zinc/74/61/80/705746180.db2.gz DTJLLOPUQPISIW-IKGGRYGDSA-N 2 1 335.492 1.430 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCOC2)C1 ZINC001032628741 705746182 /nfs/dbraw/zinc/74/61/82/705746182.db2.gz DTJLLOPUQPISIW-IKGGRYGDSA-N 2 1 335.492 1.430 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)s1 ZINC000998554459 705989348 /nfs/dbraw/zinc/98/93/48/705989348.db2.gz XUOPBLRAQLMEBM-YMAMQOFZSA-N 2 1 336.505 1.933 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]CCC2CCCCC2)C1 ZINC000998584283 706020717 /nfs/dbraw/zinc/02/07/17/706020717.db2.gz DZGVOCASBWNZTC-ABHNRTSZSA-N 2 1 337.508 1.866 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CCC2CCCCC2)C1 ZINC000998584283 706020721 /nfs/dbraw/zinc/02/07/21/706020721.db2.gz DZGVOCASBWNZTC-ABHNRTSZSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000998720165 706152804 /nfs/dbraw/zinc/15/28/04/706152804.db2.gz IMEUTRSZMLOMMV-LSDHHAIUSA-N 2 1 336.867 1.910 20 0 EDADMP CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC000998720538 706152809 /nfs/dbraw/zinc/15/28/09/706152809.db2.gz JDTFOITWAYUYJG-DLBZAZTESA-N 2 1 333.480 1.120 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000998731566 706164103 /nfs/dbraw/zinc/16/41/03/706164103.db2.gz OLDWPTNXEFUVKW-MAUKXSAKSA-N 2 1 345.491 1.394 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC000998831252 706261177 /nfs/dbraw/zinc/26/11/77/706261177.db2.gz ZZCVZVMDJDTWEX-QZTJIDSGSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC000998831252 706261178 /nfs/dbraw/zinc/26/11/78/706261178.db2.gz ZZCVZVMDJDTWEX-QZTJIDSGSA-N 2 1 349.519 1.868 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2CC([NH2+]CCn3cccn3)C2)C1 ZINC000998890155 706317110 /nfs/dbraw/zinc/31/71/10/706317110.db2.gz ZDYZCZQYVXDIJC-AOCRQIFASA-N 2 1 347.507 1.440 20 0 EDADMP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC000998994014 706411287 /nfs/dbraw/zinc/41/12/87/706411287.db2.gz JESBPLBTPNJDLO-DAWZGUTISA-N 2 1 330.476 1.953 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)ncn1 ZINC000999144269 706558140 /nfs/dbraw/zinc/55/81/40/706558140.db2.gz KYRZFIRSURMZHZ-WMZOPIPTSA-N 2 1 345.491 1.738 20 0 EDADMP CC(C)(C(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1)[NH+]1CCCCC1 ZINC000999150533 706564562 /nfs/dbraw/zinc/56/45/62/706564562.db2.gz AJWCDALDVGLJHK-CQSZACIVSA-N 2 1 335.452 1.415 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC000999355866 706845895 /nfs/dbraw/zinc/84/58/95/706845895.db2.gz YHFYDBPBKDESTM-IAGOWNOFSA-N 2 1 347.507 1.764 20 0 EDADMP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000999373186 706867849 /nfs/dbraw/zinc/86/78/49/706867849.db2.gz GIVKQMHHDFCLJO-MRXNPFEDSA-N 2 1 333.480 1.468 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1C ZINC000999401957 706910074 /nfs/dbraw/zinc/91/00/74/706910074.db2.gz CACYUCXGPDBDKY-KTAKPFMOSA-N 2 1 333.480 1.292 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)nc1 ZINC000999405747 706914789 /nfs/dbraw/zinc/91/47/89/706914789.db2.gz HBCONPCDJDMHPN-FHERZECASA-N 2 1 331.464 1.348 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nc1 ZINC000999405747 706914791 /nfs/dbraw/zinc/91/47/91/706914791.db2.gz HBCONPCDJDMHPN-FHERZECASA-N 2 1 331.464 1.348 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000999409099 706918905 /nfs/dbraw/zinc/91/89/05/706918905.db2.gz OIJQKFGTYLRFGA-BZOOQXSSSA-N 2 1 331.464 1.206 20 0 EDADMP CN(C(=O)c1cc(C[NH+]2CCCC2)on1)C1CC([NH2+]CC2CC2)C1 ZINC000999413024 706922669 /nfs/dbraw/zinc/92/26/69/706922669.db2.gz XFHXOCPZCOPVAW-UHFFFAOYSA-N 2 1 332.448 1.873 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccsc3)C2)O1 ZINC000999497349 706995225 /nfs/dbraw/zinc/99/52/25/706995225.db2.gz PWFBWEVZLKJQQX-FVQBIDKESA-N 2 1 337.489 1.548 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccsc3)C2)O1 ZINC000999497349 706995229 /nfs/dbraw/zinc/99/52/29/706995229.db2.gz PWFBWEVZLKJQQX-FVQBIDKESA-N 2 1 337.489 1.548 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCn2cncn2)C1 ZINC000999506852 707004320 /nfs/dbraw/zinc/00/43/20/707004320.db2.gz SQYCCWSAUBWICB-JCYILVPMSA-N 2 1 348.495 1.120 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](NCc2nnc(C3CC3)o2)C1 ZINC000999508973 707006354 /nfs/dbraw/zinc/00/63/54/707006354.db2.gz IBVVDBURPSADGJ-CABCVRRESA-N 2 1 347.463 1.512 20 0 EDADMP CN1CCCC[C@H]1C(=O)N1CCC[C@@H](NCc2nnc(C3CC3)o2)C1 ZINC000999508973 707006355 /nfs/dbraw/zinc/00/63/55/707006355.db2.gz IBVVDBURPSADGJ-CABCVRRESA-N 2 1 347.463 1.512 20 0 EDADMP Cc1ccncc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999509604 707007166 /nfs/dbraw/zinc/00/71/66/707007166.db2.gz JPSQPJNKGDOSEA-ROUUACIJSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999510854 707009328 /nfs/dbraw/zinc/00/93/28/707009328.db2.gz MIDZQFJDTCZVJA-DOTOQJQBSA-N 2 1 334.464 1.856 20 0 EDADMP CC(C)n1cc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000999683004 707189961 /nfs/dbraw/zinc/18/99/61/707189961.db2.gz URKGWVCCFIFKNF-UQPPLGOBSA-N 2 1 348.495 1.280 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001033265822 707290150 /nfs/dbraw/zinc/29/01/50/707290150.db2.gz KFUCKIXBGFUXSY-IAGOWNOFSA-N 2 1 334.464 1.683 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001033265822 707290153 /nfs/dbraw/zinc/29/01/53/707290153.db2.gz KFUCKIXBGFUXSY-IAGOWNOFSA-N 2 1 334.464 1.683 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]cnc3C)C2)s1 ZINC000999747414 707347940 /nfs/dbraw/zinc/34/79/40/707347940.db2.gz NWXPSZODVXCVIU-UHFFFAOYSA-N 2 1 334.449 1.200 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001033182872 707358319 /nfs/dbraw/zinc/35/83/19/707358319.db2.gz SUCAPSDKRIBAAG-ROUUACIJSA-N 2 1 349.519 1.964 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295862 707404582 /nfs/dbraw/zinc/40/45/82/707404582.db2.gz NXKBEASFWDWWIJ-ZWKOTPCHSA-N 2 1 346.475 1.890 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295862 707404586 /nfs/dbraw/zinc/40/45/86/707404586.db2.gz NXKBEASFWDWWIJ-ZWKOTPCHSA-N 2 1 346.475 1.890 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2cncc(C)c2)C1 ZINC000999838861 707410988 /nfs/dbraw/zinc/41/09/88/707410988.db2.gz ZEYGYVFOQLQRNL-UHFFFAOYSA-N 2 1 327.432 1.674 20 0 EDADMP COc1ncccc1CN1CC[C@@H](N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001033199816 707453843 /nfs/dbraw/zinc/45/38/43/707453843.db2.gz YUOLECTVXAKNHO-SJORKVTESA-N 2 1 346.475 1.607 20 0 EDADMP C[C@H]([NH2+]Cc1nccn1C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004869192 707518803 /nfs/dbraw/zinc/51/88/03/707518803.db2.gz PHIUHSRNFOYACK-DOTOQJQBSA-N 2 1 347.507 1.764 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nccc(C)n2)C1 ZINC000999876864 707524743 /nfs/dbraw/zinc/52/47/43/707524743.db2.gz UZQFQOKAAMIPOH-OFLPRAFFSA-N 2 1 345.491 1.738 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nccc(C)n2)C1 ZINC000999876864 707524748 /nfs/dbraw/zinc/52/47/48/707524748.db2.gz UZQFQOKAAMIPOH-OFLPRAFFSA-N 2 1 345.491 1.738 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999876838 707525165 /nfs/dbraw/zinc/52/51/65/707525165.db2.gz ULRCNRJBCNKZIG-DAWZGUTISA-N 2 1 337.508 1.866 20 0 EDADMP COCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365278 707659555 /nfs/dbraw/zinc/65/95/55/707659555.db2.gz LWDGZTMALFEBPB-ROUUACIJSA-N 2 1 337.508 1.963 20 0 EDADMP COCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365278 707659557 /nfs/dbraw/zinc/65/95/57/707659557.db2.gz LWDGZTMALFEBPB-ROUUACIJSA-N 2 1 337.508 1.963 20 0 EDADMP COCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365278 707659560 /nfs/dbraw/zinc/65/95/60/707659560.db2.gz LWDGZTMALFEBPB-ROUUACIJSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999988661 707662060 /nfs/dbraw/zinc/66/20/60/707662060.db2.gz WUZHJDCMNFGWST-YESZJQIVSA-N 2 1 348.495 1.281 20 0 EDADMP CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)nn2)C1 ZINC000999988661 707662066 /nfs/dbraw/zinc/66/20/66/707662066.db2.gz WUZHJDCMNFGWST-YESZJQIVSA-N 2 1 348.495 1.281 20 0 EDADMP CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC000999988661 707662069 /nfs/dbraw/zinc/66/20/69/707662069.db2.gz WUZHJDCMNFGWST-YESZJQIVSA-N 2 1 348.495 1.281 20 0 EDADMP C[C@@H]([NH2+]Cc1ccon1)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004925149 707665572 /nfs/dbraw/zinc/66/55/72/707665572.db2.gz HZZMAUMFZXMTGW-PBHICJAKSA-N 2 1 334.464 1.876 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033359683 707686306 /nfs/dbraw/zinc/68/63/06/707686306.db2.gz AYUFIHUSBMEPKN-QILLFSRXSA-N 2 1 347.507 1.492 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033359683 707686308 /nfs/dbraw/zinc/68/63/08/707686308.db2.gz AYUFIHUSBMEPKN-QILLFSRXSA-N 2 1 347.507 1.492 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033359683 707686309 /nfs/dbraw/zinc/68/63/09/707686309.db2.gz AYUFIHUSBMEPKN-QILLFSRXSA-N 2 1 347.507 1.492 20 0 EDADMP COC(=O)c1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c(F)c1 ZINC000921690489 707720398 /nfs/dbraw/zinc/72/03/98/707720398.db2.gz NNMBMTSBZMILTO-UHFFFAOYSA-N 2 1 337.439 1.730 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033395866 707733957 /nfs/dbraw/zinc/73/39/57/707733957.db2.gz LFYKMJYRKUGNML-GOSISDBHSA-N 2 1 347.507 1.374 20 0 EDADMP Cc1ncoc1CN[C@H](C)[C@@H]1CCCCN1C(=O)Cc1cncn1C ZINC001004984503 707831732 /nfs/dbraw/zinc/83/17/32/707831732.db2.gz WPXUVHQMIANWJA-CJNGLKHVSA-N 2 1 345.447 1.818 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)cn1 ZINC001033421017 707832661 /nfs/dbraw/zinc/83/26/61/707832661.db2.gz UGPVRKKOHDSTBP-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)cn1 ZINC001033421017 707832665 /nfs/dbraw/zinc/83/26/65/707832665.db2.gz UGPVRKKOHDSTBP-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001033421017 707832668 /nfs/dbraw/zinc/83/26/68/707832668.db2.gz UGPVRKKOHDSTBP-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001033421017 707832670 /nfs/dbraw/zinc/83/26/70/707832670.db2.gz UGPVRKKOHDSTBP-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1)C1CCC1 ZINC001033226710 707837984 /nfs/dbraw/zinc/83/79/84/707837984.db2.gz VKQFRDSLNRAPQS-MSOLQXFVSA-N 2 1 349.519 1.963 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423924 707840523 /nfs/dbraw/zinc/84/05/23/707840523.db2.gz VRWADPLNFVABKI-QFBILLFUSA-N 2 1 347.503 1.972 20 0 EDADMP CCn1ncc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC001000203455 707846872 /nfs/dbraw/zinc/84/68/72/707846872.db2.gz WTSWHTKPJAENBK-OAHLLOKOSA-N 2 1 348.495 1.111 20 0 EDADMP CCn1ncc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC001000203455 707846876 /nfs/dbraw/zinc/84/68/76/707846876.db2.gz WTSWHTKPJAENBK-OAHLLOKOSA-N 2 1 348.495 1.111 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033228644 707869700 /nfs/dbraw/zinc/86/97/00/707869700.db2.gz MTPOPIMBCXBUDC-GOSISDBHSA-N 2 1 349.519 1.964 20 0 EDADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536057 707891667 /nfs/dbraw/zinc/89/16/67/707891667.db2.gz GCIWSMDSFNDBBY-BDXSIMOUSA-N 2 1 337.508 1.534 20 0 EDADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536057 707891670 /nfs/dbraw/zinc/89/16/70/707891670.db2.gz GCIWSMDSFNDBBY-BDXSIMOUSA-N 2 1 337.508 1.534 20 0 EDADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536057 707891675 /nfs/dbraw/zinc/89/16/75/707891675.db2.gz GCIWSMDSFNDBBY-BDXSIMOUSA-N 2 1 337.508 1.534 20 0 EDADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536057 707891680 /nfs/dbraw/zinc/89/16/80/707891680.db2.gz GCIWSMDSFNDBBY-BDXSIMOUSA-N 2 1 337.508 1.534 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033463969 707918146 /nfs/dbraw/zinc/91/81/46/707918146.db2.gz CCZFCLACGQEGHW-HZPDHXFCSA-N 2 1 334.464 1.576 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033463969 707918149 /nfs/dbraw/zinc/91/81/49/707918149.db2.gz CCZFCLACGQEGHW-HZPDHXFCSA-N 2 1 334.464 1.576 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033475742 707966051 /nfs/dbraw/zinc/96/60/51/707966051.db2.gz QXPIIXWGHSCSMR-QGZVFWFLSA-N 2 1 333.480 1.148 20 0 EDADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032781630 707969401 /nfs/dbraw/zinc/96/94/01/707969401.db2.gz BWOOQTBXLYETSQ-SQNIBIBYSA-N 2 1 342.487 1.489 20 0 EDADMP CN(C)c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032781630 707969404 /nfs/dbraw/zinc/96/94/04/707969404.db2.gz BWOOQTBXLYETSQ-SQNIBIBYSA-N 2 1 342.487 1.489 20 0 EDADMP CN(C)c1ccccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001032781630 707969407 /nfs/dbraw/zinc/96/94/07/707969407.db2.gz BWOOQTBXLYETSQ-SQNIBIBYSA-N 2 1 342.487 1.489 20 0 EDADMP CN(C)c1ccccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032781630 707969409 /nfs/dbraw/zinc/96/94/09/707969409.db2.gz BWOOQTBXLYETSQ-SQNIBIBYSA-N 2 1 342.487 1.489 20 0 EDADMP Cc1ccc(F)cc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032781866 707971278 /nfs/dbraw/zinc/97/12/78/707971278.db2.gz KWPCTSCQHHWZPO-WBAXXEDZSA-N 2 1 331.435 1.871 20 0 EDADMP Cc1ccc(F)cc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032781866 707971281 /nfs/dbraw/zinc/97/12/81/707971281.db2.gz KWPCTSCQHHWZPO-WBAXXEDZSA-N 2 1 331.435 1.871 20 0 EDADMP Cc1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032781866 707971285 /nfs/dbraw/zinc/97/12/85/707971285.db2.gz KWPCTSCQHHWZPO-WBAXXEDZSA-N 2 1 331.435 1.871 20 0 EDADMP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032781866 707971288 /nfs/dbraw/zinc/97/12/88/707971288.db2.gz KWPCTSCQHHWZPO-WBAXXEDZSA-N 2 1 331.435 1.871 20 0 EDADMP CC(C)=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033489042 707982981 /nfs/dbraw/zinc/98/29/81/707982981.db2.gz DLFFGADDUCWBEQ-KRWDZBQOSA-N 2 1 333.480 1.557 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2Cc2ccccc2)CC[N@@H+]1C ZINC000925348346 708077539 /nfs/dbraw/zinc/07/75/39/708077539.db2.gz KBGSNFODRZGZPV-NXHRZFHOSA-N 2 1 330.476 1.647 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2Cc2ccccc2)CC[N@H+]1C ZINC000925348346 708077541 /nfs/dbraw/zinc/07/75/41/708077541.db2.gz KBGSNFODRZGZPV-NXHRZFHOSA-N 2 1 330.476 1.647 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC[NH+]1C ZINC000925348346 708077543 /nfs/dbraw/zinc/07/75/43/708077543.db2.gz KBGSNFODRZGZPV-NXHRZFHOSA-N 2 1 330.476 1.647 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC[NH+]1C ZINC000925348346 708077544 /nfs/dbraw/zinc/07/75/44/708077544.db2.gz KBGSNFODRZGZPV-NXHRZFHOSA-N 2 1 330.476 1.647 20 0 EDADMP COc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC001005179484 708121992 /nfs/dbraw/zinc/12/19/92/708121992.db2.gz OOHVOVFSRSYQLW-KRWDZBQOSA-N 2 1 346.475 1.607 20 0 EDADMP C[C@@H](F)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001531310 708161892 /nfs/dbraw/zinc/16/18/92/708161892.db2.gz DXFGQZMTKDPJIV-IIAWOOMASA-N 2 1 329.460 1.282 20 0 EDADMP C[C@@H](F)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001531310 708161895 /nfs/dbraw/zinc/16/18/95/708161895.db2.gz DXFGQZMTKDPJIV-IIAWOOMASA-N 2 1 329.460 1.282 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582810 708266298 /nfs/dbraw/zinc/26/62/98/708266298.db2.gz RFSVVDUKPUGDHB-SJLPKXTDSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033582810 708266302 /nfs/dbraw/zinc/26/63/02/708266302.db2.gz RFSVVDUKPUGDHB-SJLPKXTDSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033582810 708266306 /nfs/dbraw/zinc/26/63/06/708266306.db2.gz RFSVVDUKPUGDHB-SJLPKXTDSA-N 2 1 330.476 1.765 20 0 EDADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001033592525 708291069 /nfs/dbraw/zinc/29/10/69/708291069.db2.gz AXVHOESVXWQBAP-MSOLQXFVSA-N 2 1 345.487 1.940 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCOc2ccccc2)C1 ZINC001033592525 708291070 /nfs/dbraw/zinc/29/10/70/708291070.db2.gz AXVHOESVXWQBAP-MSOLQXFVSA-N 2 1 345.487 1.940 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCOc2ccccc2)C1 ZINC001033592525 708291072 /nfs/dbraw/zinc/29/10/72/708291072.db2.gz AXVHOESVXWQBAP-MSOLQXFVSA-N 2 1 345.487 1.940 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001833969 708360368 /nfs/dbraw/zinc/36/03/68/708360368.db2.gz NEWGRZYLAWUIBR-SUMWQHHRSA-N 2 1 348.491 1.817 20 0 EDADMP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC001001835075 708361786 /nfs/dbraw/zinc/36/17/86/708361786.db2.gz VDBVRUIOUORELR-XJKSGUPXSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC001001835075 708361790 /nfs/dbraw/zinc/36/17/90/708361790.db2.gz VDBVRUIOUORELR-XJKSGUPXSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)c(C)n1 ZINC001033657570 708429013 /nfs/dbraw/zinc/42/90/13/708429013.db2.gz MUFULGQISUTRAA-GOSISDBHSA-N 2 1 330.476 1.827 20 0 EDADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033665939 708449742 /nfs/dbraw/zinc/44/97/42/708449742.db2.gz SKDCURPYSQMLKU-QZTJIDSGSA-N 2 1 344.503 1.737 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033665939 708449744 /nfs/dbraw/zinc/44/97/44/708449744.db2.gz SKDCURPYSQMLKU-QZTJIDSGSA-N 2 1 344.503 1.737 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033665939 708449746 /nfs/dbraw/zinc/44/97/46/708449746.db2.gz SKDCURPYSQMLKU-QZTJIDSGSA-N 2 1 344.503 1.737 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)ccn1 ZINC001033658717 708469926 /nfs/dbraw/zinc/46/99/26/708469926.db2.gz SWMSYMQBXGDZPU-INIZCTEOSA-N 2 1 332.448 1.219 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)ccn1 ZINC001033658717 708469927 /nfs/dbraw/zinc/46/99/27/708469927.db2.gz SWMSYMQBXGDZPU-INIZCTEOSA-N 2 1 332.448 1.219 20 0 EDADMP CCc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659876 708471627 /nfs/dbraw/zinc/47/16/27/708471627.db2.gz ZKXJIXKQLFMYRY-HNNXBMFYSA-N 2 1 334.464 1.674 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659876 708471628 /nfs/dbraw/zinc/47/16/28/708471628.db2.gz ZKXJIXKQLFMYRY-HNNXBMFYSA-N 2 1 334.464 1.674 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC001033659893 708472062 /nfs/dbraw/zinc/47/20/62/708472062.db2.gz ZOSASEZWJZLSHQ-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033684701 708497857 /nfs/dbraw/zinc/49/78/57/708497857.db2.gz HRSQOCIPKIEFSR-GDBMZVCRSA-N 2 1 346.475 1.029 20 0 EDADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033684701 708497860 /nfs/dbraw/zinc/49/78/60/708497860.db2.gz HRSQOCIPKIEFSR-GDBMZVCRSA-N 2 1 346.475 1.029 20 0 EDADMP CO[C@H](C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC001002125427 708640411 /nfs/dbraw/zinc/64/04/11/708640411.db2.gz KKIWPTUXHWNSFQ-QZTJIDSGSA-N 2 1 337.508 1.581 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2cnnn2C)CC1 ZINC001002156034 708670799 /nfs/dbraw/zinc/67/07/99/708670799.db2.gz FOGQUBASASVKMH-KRWDZBQOSA-N 2 1 348.495 1.018 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2cnnn2C)CC1 ZINC001002156034 708670802 /nfs/dbraw/zinc/67/08/02/708670802.db2.gz FOGQUBASASVKMH-KRWDZBQOSA-N 2 1 348.495 1.018 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922892660 708697588 /nfs/dbraw/zinc/69/75/88/708697588.db2.gz FGDIVCZAIVWMMT-QZTJIDSGSA-N 2 1 335.492 1.763 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC001033830315 708851538 /nfs/dbraw/zinc/85/15/38/708851538.db2.gz HDTFWKOMPCPCJX-WBVHZDCISA-N 2 1 348.516 1.908 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001033830315 708851541 /nfs/dbraw/zinc/85/15/41/708851541.db2.gz HDTFWKOMPCPCJX-WBVHZDCISA-N 2 1 348.516 1.908 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2nccnc2C)C1 ZINC001033838362 708868125 /nfs/dbraw/zinc/86/81/25/708868125.db2.gz NKDBUOIFMBXKRR-BRWVUGGUSA-N 2 1 345.491 1.548 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001033838362 708868128 /nfs/dbraw/zinc/86/81/28/708868128.db2.gz NKDBUOIFMBXKRR-BRWVUGGUSA-N 2 1 345.491 1.548 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001033838362 708868130 /nfs/dbraw/zinc/86/81/30/708868130.db2.gz NKDBUOIFMBXKRR-BRWVUGGUSA-N 2 1 345.491 1.548 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033838362 708868133 /nfs/dbraw/zinc/86/81/33/708868133.db2.gz NKDBUOIFMBXKRR-BRWVUGGUSA-N 2 1 345.491 1.548 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033838362 708868136 /nfs/dbraw/zinc/86/81/36/708868136.db2.gz NKDBUOIFMBXKRR-BRWVUGGUSA-N 2 1 345.491 1.548 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001005415518 708933659 /nfs/dbraw/zinc/93/36/59/708933659.db2.gz LTUJGJDXKGTXBL-RYQLBKOJSA-N 2 1 337.508 1.676 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000921935008 709054426 /nfs/dbraw/zinc/05/44/26/709054426.db2.gz IGEDLFXOMIWKNB-WJFTUGDTSA-N 2 1 342.487 1.900 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000921935008 709054427 /nfs/dbraw/zinc/05/44/27/709054427.db2.gz IGEDLFXOMIWKNB-WJFTUGDTSA-N 2 1 342.487 1.900 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000921935008 709054431 /nfs/dbraw/zinc/05/44/31/709054431.db2.gz IGEDLFXOMIWKNB-WJFTUGDTSA-N 2 1 342.487 1.900 20 0 EDADMP Cc1cc(C)cc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC001002522657 709076729 /nfs/dbraw/zinc/07/67/29/709076729.db2.gz LTVHUOBBMUEBNG-LJQANCHMSA-N 2 1 345.487 1.715 20 0 EDADMP Cc1cc(C)cc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC001002522657 709076731 /nfs/dbraw/zinc/07/67/31/709076731.db2.gz LTVHUOBBMUEBNG-LJQANCHMSA-N 2 1 345.487 1.715 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCn2cncn2)CC1 ZINC001005474385 709110433 /nfs/dbraw/zinc/11/04/33/709110433.db2.gz DCVKMNZBIFUPCK-KRWDZBQOSA-N 2 1 348.495 1.075 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001034014701 709229503 /nfs/dbraw/zinc/22/95/03/709229503.db2.gz CJRDCKRPKVQQOT-IAGOWNOFSA-N 2 1 335.492 1.574 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001034037680 709270259 /nfs/dbraw/zinc/27/02/59/709270259.db2.gz DJRWXDDYUBIDKK-DOTOQJQBSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001034037680 709270261 /nfs/dbraw/zinc/27/02/61/709270261.db2.gz DJRWXDDYUBIDKK-DOTOQJQBSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001034037680 709270263 /nfs/dbraw/zinc/27/02/63/709270263.db2.gz DJRWXDDYUBIDKK-DOTOQJQBSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001034037680 709270264 /nfs/dbraw/zinc/27/02/64/709270264.db2.gz DJRWXDDYUBIDKK-DOTOQJQBSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC001034041410 709289799 /nfs/dbraw/zinc/28/97/99/709289799.db2.gz CZRBKVLRXBTJDZ-IRXDYDNUSA-N 2 1 330.476 1.765 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ncccc2C)C1 ZINC001034041410 709289800 /nfs/dbraw/zinc/28/98/00/709289800.db2.gz CZRBKVLRXBTJDZ-IRXDYDNUSA-N 2 1 330.476 1.765 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ncccc2C)C1 ZINC001034041410 709289802 /nfs/dbraw/zinc/28/98/02/709289802.db2.gz CZRBKVLRXBTJDZ-IRXDYDNUSA-N 2 1 330.476 1.765 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC1([NH+](C)C)CC1 ZINC000921991932 709380710 /nfs/dbraw/zinc/38/07/10/709380710.db2.gz TTYSQSDZJUGHLZ-NVXWUHKLSA-N 2 1 330.476 1.900 20 0 EDADMP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001002808673 709411098 /nfs/dbraw/zinc/41/10/98/709411098.db2.gz FBIFQHRRTALRDQ-MJGOQNOKSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1cc(CN2CCC(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)on1 ZINC001002802290 709416852 /nfs/dbraw/zinc/41/68/52/709416852.db2.gz NEYRJJNLFCPMKF-DOTOQJQBSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)on1 ZINC001002802290 709416855 /nfs/dbraw/zinc/41/68/55/709416855.db2.gz NEYRJJNLFCPMKF-DOTOQJQBSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)on1 ZINC001002802290 709416858 /nfs/dbraw/zinc/41/68/58/709416858.db2.gz NEYRJJNLFCPMKF-DOTOQJQBSA-N 2 1 346.475 1.938 20 0 EDADMP CCn1cc(CC[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC001002850956 709461439 /nfs/dbraw/zinc/46/14/39/709461439.db2.gz FEYZTULNKRCNMA-CRAIPNDOSA-N 2 1 347.507 1.366 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC001002853194 709463433 /nfs/dbraw/zinc/46/34/33/709463433.db2.gz VBBWNSPQZZNQNI-HLLBOEOZSA-N 2 1 345.491 1.767 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC001002853194 709463434 /nfs/dbraw/zinc/46/34/34/709463434.db2.gz VBBWNSPQZZNQNI-HLLBOEOZSA-N 2 1 345.491 1.767 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](CCOC2CCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034210287 709560304 /nfs/dbraw/zinc/56/03/04/709560304.db2.gz GKBLXAAFHGKZIF-HKUYNNGSSA-N 2 1 349.519 1.868 20 0 EDADMP CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1)[NH+]1CCCCC1 ZINC001034213374 709565093 /nfs/dbraw/zinc/56/50/93/709565093.db2.gz XECYCLGYPIFBNH-MRXNPFEDSA-N 2 1 325.497 1.604 20 0 EDADMP Cn1nccc1CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034269156 709673366 /nfs/dbraw/zinc/67/33/66/709673366.db2.gz AEZYFTMRXHPONL-SJLPKXTDSA-N 2 1 347.507 1.418 20 0 EDADMP Cn1nccc1CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034269156 709673369 /nfs/dbraw/zinc/67/33/69/709673369.db2.gz AEZYFTMRXHPONL-SJLPKXTDSA-N 2 1 347.507 1.418 20 0 EDADMP Cn1nccc1CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034269156 709673371 /nfs/dbraw/zinc/67/33/71/709673371.db2.gz AEZYFTMRXHPONL-SJLPKXTDSA-N 2 1 347.507 1.418 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](CC[C@H]2CCOC2)C1 ZINC001034310468 709753780 /nfs/dbraw/zinc/75/37/80/709753780.db2.gz YLFUGGBXNKBMHD-DLBZAZTESA-N 2 1 334.464 1.589 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001034310468 709753781 /nfs/dbraw/zinc/75/37/81/709753781.db2.gz YLFUGGBXNKBMHD-DLBZAZTESA-N 2 1 334.464 1.589 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319671 709769479 /nfs/dbraw/zinc/76/94/79/709769479.db2.gz KBNKBLHNSVKZFL-ISXWCOSWSA-N 2 1 335.492 1.620 20 0 EDADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034319671 709769482 /nfs/dbraw/zinc/76/94/82/709769482.db2.gz KBNKBLHNSVKZFL-ISXWCOSWSA-N 2 1 335.492 1.620 20 0 EDADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034319671 709769487 /nfs/dbraw/zinc/76/94/87/709769487.db2.gz KBNKBLHNSVKZFL-ISXWCOSWSA-N 2 1 335.492 1.620 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034362693 709879294 /nfs/dbraw/zinc/87/92/94/709879294.db2.gz IKJAZLFYEOBTQL-IAGOWNOFSA-N 2 1 325.497 1.866 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034362693 709879299 /nfs/dbraw/zinc/87/92/99/709879299.db2.gz IKJAZLFYEOBTQL-IAGOWNOFSA-N 2 1 325.497 1.866 20 0 EDADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034362693 709879305 /nfs/dbraw/zinc/87/93/05/709879305.db2.gz IKJAZLFYEOBTQL-IAGOWNOFSA-N 2 1 325.497 1.866 20 0 EDADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034362693 709879311 /nfs/dbraw/zinc/87/93/11/709879311.db2.gz IKJAZLFYEOBTQL-IAGOWNOFSA-N 2 1 325.497 1.866 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCCF)C2)C1 ZINC001034364672 709884533 /nfs/dbraw/zinc/88/45/33/709884533.db2.gz UWKVQHUIWNGOHQ-HZPDHXFCSA-N 2 1 329.460 1.426 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCCF)C2)C1 ZINC001034364672 709884536 /nfs/dbraw/zinc/88/45/36/709884536.db2.gz UWKVQHUIWNGOHQ-HZPDHXFCSA-N 2 1 329.460 1.426 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCCF)C2)C1 ZINC001034364672 709884543 /nfs/dbraw/zinc/88/45/43/709884543.db2.gz UWKVQHUIWNGOHQ-HZPDHXFCSA-N 2 1 329.460 1.426 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCCF)C2)C1 ZINC001034364672 709884547 /nfs/dbraw/zinc/88/45/47/709884547.db2.gz UWKVQHUIWNGOHQ-HZPDHXFCSA-N 2 1 329.460 1.426 20 0 EDADMP Cc1oncc1C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386595 709915208 /nfs/dbraw/zinc/91/52/08/709915208.db2.gz SXKSKDRUSTWXBO-QGZVFWFLSA-N 2 1 334.464 1.796 20 0 EDADMP CCn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034387207 709916236 /nfs/dbraw/zinc/91/62/36/709916236.db2.gz WYAGLDULBOYDGE-INIZCTEOSA-N 2 1 348.495 1.111 20 0 EDADMP CCn1nncc1C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034387207 709916237 /nfs/dbraw/zinc/91/62/37/709916237.db2.gz WYAGLDULBOYDGE-INIZCTEOSA-N 2 1 348.495 1.111 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)o1 ZINC001034394999 709932352 /nfs/dbraw/zinc/93/23/52/709932352.db2.gz TXKXMEIHIZDRCH-HOCLYGCPSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)o1 ZINC001034394999 709932353 /nfs/dbraw/zinc/93/23/53/709932353.db2.gz TXKXMEIHIZDRCH-HOCLYGCPSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)o1 ZINC001034394999 709932356 /nfs/dbraw/zinc/93/23/56/709932356.db2.gz TXKXMEIHIZDRCH-HOCLYGCPSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)o1 ZINC001034394999 709932358 /nfs/dbraw/zinc/93/23/58/709932358.db2.gz TXKXMEIHIZDRCH-HOCLYGCPSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034404122 709951577 /nfs/dbraw/zinc/95/15/77/709951577.db2.gz GMBZYFAXKIZUAP-VQIMIIECSA-N 2 1 347.503 1.756 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001003158938 710067207 /nfs/dbraw/zinc/06/72/07/710067207.db2.gz KFPGPBROTALBHZ-KRWDZBQOSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001003158938 710067211 /nfs/dbraw/zinc/06/72/11/710067211.db2.gz KFPGPBROTALBHZ-KRWDZBQOSA-N 2 1 331.464 1.350 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCCC[N@H+](C[C@@H]2CCOC2)C1 ZINC001034484532 710129116 /nfs/dbraw/zinc/12/91/16/710129116.db2.gz MJXYHFGOWFDDPD-JKSUJKDBSA-N 2 1 346.475 1.768 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001034484532 710129117 /nfs/dbraw/zinc/12/91/17/710129117.db2.gz MJXYHFGOWFDDPD-JKSUJKDBSA-N 2 1 346.475 1.768 20 0 EDADMP Cc1oncc1C[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034486781 710133981 /nfs/dbraw/zinc/13/39/81/710133981.db2.gz LZUNHPPPKSLJQZ-INIZCTEOSA-N 2 1 332.448 1.550 20 0 EDADMP Cc1oncc1C[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034486781 710133984 /nfs/dbraw/zinc/13/39/84/710133984.db2.gz LZUNHPPPKSLJQZ-INIZCTEOSA-N 2 1 332.448 1.550 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](CCC2CCOCC2)C1 ZINC001034529458 710184980 /nfs/dbraw/zinc/18/49/80/710184980.db2.gz HMGIYCLCAJZPPE-GOSISDBHSA-N 2 1 348.491 1.979 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2CCOCC2)C1 ZINC001034529458 710184983 /nfs/dbraw/zinc/18/49/83/710184983.db2.gz HMGIYCLCAJZPPE-GOSISDBHSA-N 2 1 348.491 1.979 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001003317958 710246588 /nfs/dbraw/zinc/24/65/88/710246588.db2.gz BINBYGFGUTWVDX-QGZVFWFLSA-N 2 1 334.464 1.731 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1)c1cnccn1 ZINC001034610349 710284530 /nfs/dbraw/zinc/28/45/30/710284530.db2.gz MMBZBKVWMVFNOB-ANQUJSFKSA-N 2 1 331.464 1.649 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3F)CC2)C1 ZINC001034614288 710289533 /nfs/dbraw/zinc/28/95/33/710289533.db2.gz LLIAKDGHKVOUFY-JFIYKMOQSA-N 2 1 349.450 1.673 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3F)CC2)C1 ZINC001034614288 710289536 /nfs/dbraw/zinc/28/95/36/710289536.db2.gz LLIAKDGHKVOUFY-JFIYKMOQSA-N 2 1 349.450 1.673 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001034647298 710323704 /nfs/dbraw/zinc/32/37/04/710323704.db2.gz DGWSRAOASUMQNG-KBUPBQIOSA-N 2 1 349.479 1.489 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001034647298 710323708 /nfs/dbraw/zinc/32/37/08/710323708.db2.gz DGWSRAOASUMQNG-KBUPBQIOSA-N 2 1 349.479 1.489 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)nn1 ZINC001003623488 710453090 /nfs/dbraw/zinc/45/30/90/710453090.db2.gz GHHCTYDPWYLUNN-AWEZNQCLSA-N 2 1 347.463 1.050 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)nn1 ZINC001003623488 710453091 /nfs/dbraw/zinc/45/30/91/710453091.db2.gz GHHCTYDPWYLUNN-AWEZNQCLSA-N 2 1 347.463 1.050 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC001003631193 710460232 /nfs/dbraw/zinc/46/02/32/710460232.db2.gz UCLMBSFEDHTGQN-HOTGVXAUSA-N 2 1 346.475 1.371 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003633755 710461626 /nfs/dbraw/zinc/46/16/26/710461626.db2.gz HQTOHLMYOORWCJ-XJKSGUPXSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003633755 710461627 /nfs/dbraw/zinc/46/16/27/710461627.db2.gz HQTOHLMYOORWCJ-XJKSGUPXSA-N 2 1 331.464 1.063 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003744854 710527658 /nfs/dbraw/zinc/52/76/58/710527658.db2.gz JCZFLYCBRZZETD-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1)C(N)=O ZINC001034661416 710592670 /nfs/dbraw/zinc/59/26/70/710592670.db2.gz OLAQPVKPZSDZDJ-KBUPBQIOSA-N 2 1 347.463 1.041 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H](C)O)CC2)C1 ZINC001034662827 710595949 /nfs/dbraw/zinc/59/59/49/710595949.db2.gz PFRYMJQEADYQFE-QAETUUGQSA-N 2 1 325.497 1.362 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001034674811 710625435 /nfs/dbraw/zinc/62/54/35/710625435.db2.gz SFMGPUFSJPQBGW-JYJNAYRXSA-N 2 1 348.495 1.299 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC001034675017 710626600 /nfs/dbraw/zinc/62/66/00/710626600.db2.gz YGPMSGSNVPXRBG-RBSFLKMASA-N 2 1 335.452 1.379 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001034675017 710626602 /nfs/dbraw/zinc/62/66/02/710626602.db2.gz YGPMSGSNVPXRBG-RBSFLKMASA-N 2 1 335.452 1.379 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001005589514 710643860 /nfs/dbraw/zinc/64/38/60/710643860.db2.gz QVLWAWNDESUFEJ-SFHVURJKSA-N 2 1 347.507 1.370 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ncccn2)CC1 ZINC001034690951 710763579 /nfs/dbraw/zinc/76/35/79/710763579.db2.gz DZANNXFUJHWXCL-BZUAXINKSA-N 2 1 342.447 1.760 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034735289 710920068 /nfs/dbraw/zinc/92/00/68/710920068.db2.gz DZBOHXACZAAUOY-BRSBDYLESA-N 2 1 337.508 1.914 20 0 EDADMP CCc1onc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032958457 710950942 /nfs/dbraw/zinc/95/09/42/710950942.db2.gz AIACOMVXEOMZPS-ZBFHGGJFSA-N 2 1 334.464 1.672 20 0 EDADMP CCc1onc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032958457 710950944 /nfs/dbraw/zinc/95/09/44/710950944.db2.gz AIACOMVXEOMZPS-ZBFHGGJFSA-N 2 1 334.464 1.672 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032958457 710950947 /nfs/dbraw/zinc/95/09/47/710950947.db2.gz AIACOMVXEOMZPS-ZBFHGGJFSA-N 2 1 334.464 1.672 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032958457 710950949 /nfs/dbraw/zinc/95/09/49/710950949.db2.gz AIACOMVXEOMZPS-ZBFHGGJFSA-N 2 1 334.464 1.672 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)cn1 ZINC001034737911 710951424 /nfs/dbraw/zinc/95/14/24/710951424.db2.gz OLIRTCAQTHBKQH-BRWVUGGUSA-N 2 1 345.491 1.786 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC001034738495 710953991 /nfs/dbraw/zinc/95/39/91/710953991.db2.gz TWIRPITUAKSYJP-XDKFSHSGSA-N 2 1 348.466 1.935 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001034775854 711050378 /nfs/dbraw/zinc/05/03/78/711050378.db2.gz KXKYWBIAPOVYLC-BRWVUGGUSA-N 2 1 345.491 1.644 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC001034776431 711053391 /nfs/dbraw/zinc/05/33/91/711053391.db2.gz UCUANNBTYGVQSZ-QAETUUGQSA-N 2 1 345.491 1.896 20 0 EDADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032975937 711067443 /nfs/dbraw/zinc/06/74/43/711067443.db2.gz LEJIFTLFZNXMRP-IEBWSBKVSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032975937 711067452 /nfs/dbraw/zinc/06/74/52/711067452.db2.gz LEJIFTLFZNXMRP-IEBWSBKVSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1cccc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032975937 711067457 /nfs/dbraw/zinc/06/74/57/711067457.db2.gz LEJIFTLFZNXMRP-IEBWSBKVSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1cccc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032975937 711067460 /nfs/dbraw/zinc/06/74/60/711067460.db2.gz LEJIFTLFZNXMRP-IEBWSBKVSA-N 2 1 345.487 1.667 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001032982788 711107886 /nfs/dbraw/zinc/10/78/86/711107886.db2.gz YASSRWCSZPVGRG-QZTJIDSGSA-N 2 1 349.519 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001032982788 711107887 /nfs/dbraw/zinc/10/78/87/711107887.db2.gz YASSRWCSZPVGRG-QZTJIDSGSA-N 2 1 349.519 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001032982788 711107890 /nfs/dbraw/zinc/10/78/90/711107890.db2.gz YASSRWCSZPVGRG-QZTJIDSGSA-N 2 1 349.519 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001032982788 711107893 /nfs/dbraw/zinc/10/78/93/711107893.db2.gz YASSRWCSZPVGRG-QZTJIDSGSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034792092 711118276 /nfs/dbraw/zinc/11/82/76/711118276.db2.gz DUUAGOYAUUVSDB-ATGSNQNLSA-N 2 1 335.452 1.408 20 0 EDADMP Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034792092 711118279 /nfs/dbraw/zinc/11/82/79/711118279.db2.gz DUUAGOYAUUVSDB-ATGSNQNLSA-N 2 1 335.452 1.408 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034797347 711131529 /nfs/dbraw/zinc/13/15/29/711131529.db2.gz XXPAJJJOOKMAGZ-JFIYKMOQSA-N 2 1 347.507 1.812 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003977850 711150580 /nfs/dbraw/zinc/15/05/80/711150580.db2.gz YTAVICUJZOGXDI-HUUCEWRRSA-N 2 1 331.464 1.460 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003977850 711150585 /nfs/dbraw/zinc/15/05/85/711150585.db2.gz YTAVICUJZOGXDI-HUUCEWRRSA-N 2 1 331.464 1.460 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001003983513 711182776 /nfs/dbraw/zinc/18/27/76/711182776.db2.gz LUGRQZRTCSCQKF-INIZCTEOSA-N 2 1 346.475 1.911 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001034882548 711284135 /nfs/dbraw/zinc/28/41/35/711284135.db2.gz ARWJAEYSRBUVJL-CABCVRRESA-N 2 1 334.468 1.034 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001034882548 711284136 /nfs/dbraw/zinc/28/41/36/711284136.db2.gz ARWJAEYSRBUVJL-CABCVRRESA-N 2 1 334.468 1.034 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC[NH+](CC2CCC2)CC1 ZINC001005740094 711284448 /nfs/dbraw/zinc/28/44/48/711284448.db2.gz DMGKNTPCXMUUNK-KGXSXCIVSA-N 2 1 347.503 1.573 20 0 EDADMP CCn1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)nn1 ZINC001034934883 711361616 /nfs/dbraw/zinc/36/16/16/711361616.db2.gz XOQXAKGFJPJDPW-IAGOWNOFSA-N 2 1 348.495 1.251 20 0 EDADMP CCn1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)nn1 ZINC001034934883 711361622 /nfs/dbraw/zinc/36/16/22/711361622.db2.gz XOQXAKGFJPJDPW-IAGOWNOFSA-N 2 1 348.495 1.251 20 0 EDADMP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)C2 ZINC000922387867 711429602 /nfs/dbraw/zinc/42/96/02/711429602.db2.gz LOJGLBOLFPCISG-XLMAVXFVSA-N 2 1 335.496 1.602 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)C2 ZINC000922387867 711429606 /nfs/dbraw/zinc/42/96/06/711429606.db2.gz LOJGLBOLFPCISG-XLMAVXFVSA-N 2 1 335.496 1.602 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccn(C)n2)C1 ZINC001034958653 711432273 /nfs/dbraw/zinc/43/22/73/711432273.db2.gz LXJOBCFSOOFNJO-SJLPKXTDSA-N 2 1 347.507 1.479 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)oc1C ZINC001034940376 711443421 /nfs/dbraw/zinc/44/34/21/711443421.db2.gz CECFAOXIQBTMTD-SJORKVTESA-N 2 1 346.475 1.714 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)[C@@H]1C(C)C ZINC000922391993 711457114 /nfs/dbraw/zinc/45/71/14/711457114.db2.gz IXWKPMBGFNZDKC-XSYGEPLQSA-N 2 1 345.487 1.745 20 0 EDADMP COc1cc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)ccn1 ZINC001004141273 711540737 /nfs/dbraw/zinc/54/07/37/711540737.db2.gz DKXJQQCOEWSDGU-HNNXBMFYSA-N 2 1 332.448 1.123 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H](C)O)C[C@H]2CC1 ZINC000946615782 711853818 /nfs/dbraw/zinc/85/38/18/711853818.db2.gz RNBJWCIGIGZTRW-FJIDUMEYSA-N 2 1 337.508 1.412 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]2CC1 ZINC000946615782 711853820 /nfs/dbraw/zinc/85/38/20/711853820.db2.gz RNBJWCIGIGZTRW-FJIDUMEYSA-N 2 1 337.508 1.412 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)O)C[C@H]2CC1 ZINC000946615782 711853821 /nfs/dbraw/zinc/85/38/21/711853821.db2.gz RNBJWCIGIGZTRW-FJIDUMEYSA-N 2 1 337.508 1.412 20 0 EDADMP CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001004490753 711870072 /nfs/dbraw/zinc/87/00/72/711870072.db2.gz TXUMFDKPQHHEAM-MHALHIKHSA-N 2 1 347.503 1.573 20 0 EDADMP CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001004490753 711870074 /nfs/dbraw/zinc/87/00/74/711870074.db2.gz TXUMFDKPQHHEAM-MHALHIKHSA-N 2 1 347.503 1.573 20 0 EDADMP CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001004490753 711870075 /nfs/dbraw/zinc/87/00/75/711870075.db2.gz TXUMFDKPQHHEAM-MHALHIKHSA-N 2 1 347.503 1.573 20 0 EDADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623781 711925377 /nfs/dbraw/zinc/92/53/77/711925377.db2.gz QTZMUTARBKUDGH-OWLYRPNTSA-N 2 1 337.508 1.532 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033139353 711932694 /nfs/dbraw/zinc/93/26/94/711932694.db2.gz GIFDJNMZQNWRKC-OALUTQOASA-N 2 1 349.519 1.963 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033139353 711932695 /nfs/dbraw/zinc/93/26/95/711932695.db2.gz GIFDJNMZQNWRKC-OALUTQOASA-N 2 1 349.519 1.963 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033139353 711932696 /nfs/dbraw/zinc/93/26/96/711932696.db2.gz GIFDJNMZQNWRKC-OALUTQOASA-N 2 1 349.519 1.963 20 0 EDADMP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631666 712020746 /nfs/dbraw/zinc/02/07/46/712020746.db2.gz SJGGOUWCFKWREZ-WNRNVDISSA-N 2 1 337.508 1.412 20 0 EDADMP C[C@H](O)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631666 712020747 /nfs/dbraw/zinc/02/07/47/712020747.db2.gz SJGGOUWCFKWREZ-WNRNVDISSA-N 2 1 337.508 1.412 20 0 EDADMP C[C@H](O)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631666 712020748 /nfs/dbraw/zinc/02/07/48/712020748.db2.gz SJGGOUWCFKWREZ-WNRNVDISSA-N 2 1 337.508 1.412 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001004620841 712082412 /nfs/dbraw/zinc/08/24/12/712082412.db2.gz RILPUJNJEZJIIM-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001004620841 712082414 /nfs/dbraw/zinc/08/24/14/712082414.db2.gz RILPUJNJEZJIIM-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001004620841 712082416 /nfs/dbraw/zinc/08/24/16/712082416.db2.gz RILPUJNJEZJIIM-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004620841 712082420 /nfs/dbraw/zinc/08/24/20/712082420.db2.gz RILPUJNJEZJIIM-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642282 712126247 /nfs/dbraw/zinc/12/62/47/712126247.db2.gz CKCXNFJEZRHZHG-FCGDIQPGSA-N 2 1 349.519 1.820 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]2C1 ZINC000946642282 712126249 /nfs/dbraw/zinc/12/62/49/712126249.db2.gz CKCXNFJEZRHZHG-FCGDIQPGSA-N 2 1 349.519 1.820 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642282 712126250 /nfs/dbraw/zinc/12/62/50/712126250.db2.gz CKCXNFJEZRHZHG-FCGDIQPGSA-N 2 1 349.519 1.820 20 0 EDADMP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]2C1 ZINC000946662573 712290866 /nfs/dbraw/zinc/29/08/66/712290866.db2.gz BMWUDKXGIIPAPL-BHYGNILZSA-N 2 1 342.443 1.499 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000557627778 306231299 /nfs/dbraw/zinc/23/12/99/306231299.db2.gz LLJVWSPGJKTWOW-GOSISDBHSA-N 2 1 345.487 1.585 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000332279121 282148355 /nfs/dbraw/zinc/14/83/55/282148355.db2.gz QYYCRZFINYVRIP-IAGOWNOFSA-N 2 1 337.489 1.653 20 0 EDADMP Cc1n[nH]cc1C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000558421781 306238038 /nfs/dbraw/zinc/23/80/38/306238038.db2.gz AQNQYVYXHXUAQM-HUUCEWRRSA-N 2 1 336.480 1.808 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cnn(C2CCCC2)c1 ZINC000558623795 306241060 /nfs/dbraw/zinc/24/10/60/306241060.db2.gz PWPLDUSRPRIMKI-OAHLLOKOSA-N 2 1 333.480 1.813 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)cn2cc[nH+]c12 ZINC000559523251 306256115 /nfs/dbraw/zinc/25/61/15/306256115.db2.gz UIYFPPNZKJQWOJ-CYBMUJFWSA-N 2 1 329.404 1.182 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CCN(CC[NH+](C)C)CC1)C(C)C ZINC000102552349 219210159 /nfs/dbraw/zinc/21/01/59/219210159.db2.gz PKDQQJJRBVTMSZ-UHFFFAOYSA-N 2 1 327.517 1.042 20 0 EDADMP CC[N@H+](CCNC(=O)NC1CC[NH+](CCN(C)C)CC1)C(C)C ZINC000102552349 219210161 /nfs/dbraw/zinc/21/01/61/219210161.db2.gz PKDQQJJRBVTMSZ-UHFFFAOYSA-N 2 1 327.517 1.042 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](CCN(C)C)CC1)C(C)C ZINC000102552349 219210164 /nfs/dbraw/zinc/21/01/64/219210164.db2.gz PKDQQJJRBVTMSZ-UHFFFAOYSA-N 2 1 327.517 1.042 20 0 EDADMP CC(C)(CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000561045711 306281746 /nfs/dbraw/zinc/28/17/46/306281746.db2.gz NDAVWEKIDMNGBO-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000561467769 306287957 /nfs/dbraw/zinc/28/79/57/306287957.db2.gz HGVPFIHRRLMASF-CSLYMUCUSA-N 2 1 336.480 1.751 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000561467769 306287958 /nfs/dbraw/zinc/28/79/58/306287958.db2.gz HGVPFIHRRLMASF-CSLYMUCUSA-N 2 1 336.480 1.751 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000342982580 539770191 /nfs/dbraw/zinc/77/01/91/539770191.db2.gz DMARAMJWMJLGQE-JYJNAYRXSA-N 2 1 340.512 1.164 20 0 EDADMP COc1ccnc(N2CCN(C(=O)N[C@@H](C)Cn3ccnc3)CC2)c1 ZINC000103860998 219327757 /nfs/dbraw/zinc/32/77/57/219327757.db2.gz UOQWTKITJLGCGY-AWEZNQCLSA-N 2 1 344.419 1.207 20 0 EDADMP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)c1 ZINC000152560206 539820434 /nfs/dbraw/zinc/82/04/34/539820434.db2.gz CHJFRCWCZCOUBB-QAPCUYQASA-N 2 1 348.491 1.657 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)c1 ZINC000152560206 539820437 /nfs/dbraw/zinc/82/04/37/539820437.db2.gz CHJFRCWCZCOUBB-QAPCUYQASA-N 2 1 348.491 1.657 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000152560206 539820440 /nfs/dbraw/zinc/82/04/40/539820440.db2.gz CHJFRCWCZCOUBB-QAPCUYQASA-N 2 1 348.491 1.657 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000152560206 539820445 /nfs/dbraw/zinc/82/04/45/539820445.db2.gz CHJFRCWCZCOUBB-QAPCUYQASA-N 2 1 348.491 1.657 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353172111 539931610 /nfs/dbraw/zinc/93/16/10/539931610.db2.gz UFBRUKUBJNYFTP-CEXWTWQISA-N 2 1 341.540 1.654 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353172111 539931615 /nfs/dbraw/zinc/93/16/15/539931615.db2.gz UFBRUKUBJNYFTP-CEXWTWQISA-N 2 1 341.540 1.654 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000356087554 539962653 /nfs/dbraw/zinc/96/26/53/539962653.db2.gz IPKBYCDXWRJSFA-GFCCVEGCSA-N 2 1 332.452 1.683 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105170043 219467099 /nfs/dbraw/zinc/46/70/99/219467099.db2.gz NIEGCGJDJMZFMR-QGZVFWFLSA-N 2 1 330.476 1.649 20 0 EDADMP COCCN(C)c1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cn1 ZINC000190961092 540172567 /nfs/dbraw/zinc/17/25/67/540172567.db2.gz DXNQGLIOKIOWLW-UHFFFAOYSA-N 2 1 349.523 1.281 20 0 EDADMP COc1cc(C[NH2+][C@H](C)CC[NH+](C)C)cc(Cl)c1OCC(N)=O ZINC000066404950 138177397 /nfs/dbraw/zinc/17/73/97/138177397.db2.gz AETJHXUMAGIUEN-LLVKDONJSA-N 2 1 343.855 1.643 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)(C)C[NH+](C)C ZINC000081732340 138267621 /nfs/dbraw/zinc/26/76/21/138267621.db2.gz LNJHCACJVFNRAJ-AEFFLSMTSA-N 2 1 347.503 1.980 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(C)(C)C[NH+](C)C ZINC000081732340 138267622 /nfs/dbraw/zinc/26/76/22/138267622.db2.gz LNJHCACJVFNRAJ-AEFFLSMTSA-N 2 1 347.503 1.980 20 0 EDADMP CCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)C[C@@H]1CCCCO1 ZINC000089126008 138273211 /nfs/dbraw/zinc/27/32/11/138273211.db2.gz IGQZDWWIIGSLNV-KRWDZBQOSA-N 2 1 325.497 1.868 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000563583811 306339896 /nfs/dbraw/zinc/33/98/96/306339896.db2.gz AVZBMBGWNHIUDD-KBAYOESNSA-N 2 1 330.476 1.948 20 0 EDADMP CCOC(C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)OCC ZINC000124956366 138331029 /nfs/dbraw/zinc/33/10/29/138331029.db2.gz PNPGGHDDRSTURH-UHFFFAOYSA-N 2 1 341.496 1.262 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000125294009 138333108 /nfs/dbraw/zinc/33/31/08/138333108.db2.gz MUFNDIPAQIGNMF-QGZVFWFLSA-N 2 1 334.464 1.685 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000125294009 138333109 /nfs/dbraw/zinc/33/31/09/138333109.db2.gz MUFNDIPAQIGNMF-QGZVFWFLSA-N 2 1 334.464 1.685 20 0 EDADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000563670876 306344470 /nfs/dbraw/zinc/34/44/70/306344470.db2.gz ZRXKIZWTVWGDJU-PBHICJAKSA-N 2 1 342.447 1.709 20 0 EDADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000563670876 306344471 /nfs/dbraw/zinc/34/44/71/306344471.db2.gz ZRXKIZWTVWGDJU-PBHICJAKSA-N 2 1 342.447 1.709 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000361892301 283319115 /nfs/dbraw/zinc/31/91/15/283319115.db2.gz FBQJWTOYPMGVCP-BRSBDYLESA-N 2 1 337.508 1.759 20 0 EDADMP C[C@@H](C(=O)NCc1cccs1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174714232 138686555 /nfs/dbraw/zinc/68/65/55/138686555.db2.gz PALUQJXEXTYFLS-HNNXBMFYSA-N 2 1 338.521 1.322 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000413832371 304079404 /nfs/dbraw/zinc/07/94/04/304079404.db2.gz HWBONRGDFBZKMJ-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000413832371 304079406 /nfs/dbraw/zinc/07/94/06/304079406.db2.gz HWBONRGDFBZKMJ-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000413832371 304079407 /nfs/dbraw/zinc/07/94/07/304079407.db2.gz HWBONRGDFBZKMJ-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1CCCCN1 ZINC000422842503 299286493 /nfs/dbraw/zinc/28/64/93/299286493.db2.gz YLDTVJIIQWCYFG-RDJZCZTQSA-N 2 1 338.540 1.733 20 0 EDADMP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000413850898 304081487 /nfs/dbraw/zinc/08/14/87/304081487.db2.gz DEPPETRIKYMMST-MSOLQXFVSA-N 2 1 330.476 1.649 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000413850898 304081489 /nfs/dbraw/zinc/08/14/89/304081489.db2.gz DEPPETRIKYMMST-MSOLQXFVSA-N 2 1 330.476 1.649 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000413850898 304081491 /nfs/dbraw/zinc/08/14/91/304081491.db2.gz DEPPETRIKYMMST-MSOLQXFVSA-N 2 1 330.476 1.649 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000413850898 304081492 /nfs/dbraw/zinc/08/14/92/304081492.db2.gz DEPPETRIKYMMST-MSOLQXFVSA-N 2 1 330.476 1.649 20 0 EDADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000564644910 306361789 /nfs/dbraw/zinc/36/17/89/306361789.db2.gz OREQVIJGDIEVDM-JKSUJKDBSA-N 2 1 331.464 1.516 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1)N1CC[NH+](C)CC1 ZINC000564938639 306370607 /nfs/dbraw/zinc/37/06/07/306370607.db2.gz RMWBONOYNHWRCO-GOSISDBHSA-N 2 1 347.507 1.217 20 0 EDADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000414113590 304100791 /nfs/dbraw/zinc/10/07/91/304100791.db2.gz KUYBZJBRJUZUAQ-STQMWFEESA-N 2 1 341.477 1.817 20 0 EDADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000414113590 304100793 /nfs/dbraw/zinc/10/07/93/304100793.db2.gz KUYBZJBRJUZUAQ-STQMWFEESA-N 2 1 341.477 1.817 20 0 EDADMP Cc1cc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1C ZINC000414322504 304106191 /nfs/dbraw/zinc/10/61/91/304106191.db2.gz SUQUZUKSXVOXSP-UHFFFAOYSA-N 2 1 328.464 1.425 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)NCC2([NH3+])CCCCCC2)CC1(C)C ZINC000565704306 306388822 /nfs/dbraw/zinc/38/88/22/306388822.db2.gz CJRFYSDSYXZRQA-UHFFFAOYSA-N 2 1 339.528 1.363 20 0 EDADMP Cc1cc(N2CCC([NH2+]Cc3cnc(N(C)C)n3C)CC2)nc(C)[nH+]1 ZINC000414366166 304112327 /nfs/dbraw/zinc/11/23/27/304112327.db2.gz PYEFCJKRCWOXSV-UHFFFAOYSA-N 2 1 343.479 1.652 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000566066472 306397565 /nfs/dbraw/zinc/39/75/65/306397565.db2.gz UQIASTOKEDTJGF-HKUYNNGSSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H](c2ccc(F)cc2)O1 ZINC000414709989 304131312 /nfs/dbraw/zinc/13/13/12/304131312.db2.gz RHCLGGMKRJNPAK-IIDMSEBBSA-N 2 1 349.450 1.785 20 0 EDADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000414807249 304143004 /nfs/dbraw/zinc/14/30/04/304143004.db2.gz QWFYYMPVTHSULI-UHFFFAOYSA-N 2 1 335.448 1.523 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000414988720 304148194 /nfs/dbraw/zinc/14/81/94/304148194.db2.gz PVWPOKOKLHTBEP-INIZCTEOSA-N 2 1 346.475 1.439 20 0 EDADMP C[NH2+][C@H](C)C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000414989212 304148331 /nfs/dbraw/zinc/14/83/31/304148331.db2.gz QHGVOTLRJNRZFK-CQSZACIVSA-N 2 1 325.478 1.346 20 0 EDADMP Cc1nn(C)c(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c1Br ZINC000415006225 304149946 /nfs/dbraw/zinc/14/99/46/304149946.db2.gz SQBAOVOLAPAACO-SECBINFHSA-N 2 1 337.212 1.825 20 0 EDADMP CCOc1cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)ccc1OC ZINC000415119935 304161279 /nfs/dbraw/zinc/16/12/79/304161279.db2.gz FNJVZHJXHUCLOW-INIZCTEOSA-N 2 1 345.447 1.981 20 0 EDADMP O=C([C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]C1)N1CCOCC1 ZINC000415121021 304161698 /nfs/dbraw/zinc/16/16/98/304161698.db2.gz YSQMPLLSQUNJRN-MSOLQXFVSA-N 2 1 331.460 1.046 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000415158518 304167558 /nfs/dbraw/zinc/16/75/58/304167558.db2.gz FPLNTKGNXODRIQ-DOTOQJQBSA-N 2 1 344.459 1.287 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000415172768 304170655 /nfs/dbraw/zinc/17/06/55/304170655.db2.gz PECVMZOPZLYULF-KRWDZBQOSA-N 2 1 346.475 1.533 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1 ZINC000415172768 304170657 /nfs/dbraw/zinc/17/06/57/304170657.db2.gz PECVMZOPZLYULF-KRWDZBQOSA-N 2 1 346.475 1.533 20 0 EDADMP CC[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000079521050 217238128 /nfs/dbraw/zinc/23/81/28/217238128.db2.gz SJLMVGJYQUWJTR-MRXNPFEDSA-N 2 1 330.476 1.780 20 0 EDADMP CC[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000079521050 217238132 /nfs/dbraw/zinc/23/81/32/217238132.db2.gz SJLMVGJYQUWJTR-MRXNPFEDSA-N 2 1 330.476 1.780 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000415185499 304172700 /nfs/dbraw/zinc/17/27/00/304172700.db2.gz QADHLHVAFISADC-YOEHRIQHSA-N 2 1 332.448 1.905 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)cs1 ZINC000237723446 139058636 /nfs/dbraw/zinc/05/86/36/139058636.db2.gz SKFKUJAOZPKNPV-LSDHHAIUSA-N 2 1 336.505 1.907 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000081292243 217379538 /nfs/dbraw/zinc/37/95/38/217379538.db2.gz HOZGGYFQKUWZFE-GOSISDBHSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000081292243 217379541 /nfs/dbraw/zinc/37/95/41/217379541.db2.gz HOZGGYFQKUWZFE-GOSISDBHSA-N 2 1 331.460 1.345 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000111817966 220198780 /nfs/dbraw/zinc/19/87/80/220198780.db2.gz MOXFTXPOOIJRGE-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000111817966 220198783 /nfs/dbraw/zinc/19/87/83/220198783.db2.gz MOXFTXPOOIJRGE-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP NCc1nc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cs1 ZINC000238023408 139066878 /nfs/dbraw/zinc/06/68/78/139066878.db2.gz WBSFCBCJWMNVFR-UHFFFAOYSA-N 2 1 330.457 1.950 20 0 EDADMP [NH3+]C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000238084659 139068612 /nfs/dbraw/zinc/06/86/12/139068612.db2.gz MWROMGHUQIXQBU-RTBURBONSA-N 2 1 345.487 1.911 20 0 EDADMP [NH3+]C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000238084659 139068613 /nfs/dbraw/zinc/06/86/13/139068613.db2.gz MWROMGHUQIXQBU-RTBURBONSA-N 2 1 345.487 1.911 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCO[C@H](C)C1 ZINC000245403391 139072145 /nfs/dbraw/zinc/07/21/45/139072145.db2.gz LMXZYBFBXYOQSS-AOIWGVFYSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCO[C@H](C)C1 ZINC000245403391 139072146 /nfs/dbraw/zinc/07/21/46/139072146.db2.gz LMXZYBFBXYOQSS-AOIWGVFYSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCO[C@H](C)C1 ZINC000245403391 139072147 /nfs/dbraw/zinc/07/21/47/139072147.db2.gz LMXZYBFBXYOQSS-AOIWGVFYSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCO[C@H](C)C1 ZINC000245403391 139072148 /nfs/dbraw/zinc/07/21/48/139072148.db2.gz LMXZYBFBXYOQSS-AOIWGVFYSA-N 2 1 345.487 1.876 20 0 EDADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(N4CCOCC4)s3)CC[C@H]21 ZINC000245720763 139084286 /nfs/dbraw/zinc/08/42/86/139084286.db2.gz DIJLXROVRDRFMK-GDBMZVCRSA-N 2 1 336.505 1.896 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(N4CCOCC4)s3)CC[C@H]21 ZINC000245720763 139084287 /nfs/dbraw/zinc/08/42/87/139084287.db2.gz DIJLXROVRDRFMK-GDBMZVCRSA-N 2 1 336.505 1.896 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(N4CCOCC4)s3)CC[C@H]21 ZINC000245720763 139084288 /nfs/dbraw/zinc/08/42/88/139084288.db2.gz DIJLXROVRDRFMK-GDBMZVCRSA-N 2 1 336.505 1.896 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(N4CCOCC4)s3)CC[C@H]21 ZINC000245720763 139084289 /nfs/dbraw/zinc/08/42/89/139084289.db2.gz DIJLXROVRDRFMK-GDBMZVCRSA-N 2 1 336.505 1.896 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](CC)C[C@@H]1CC ZINC000415264734 304181549 /nfs/dbraw/zinc/18/15/49/304181549.db2.gz PAVIKHPTICGCQS-INIZCTEOSA-N 2 1 346.475 1.677 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000415264734 304181551 /nfs/dbraw/zinc/18/15/51/304181551.db2.gz PAVIKHPTICGCQS-INIZCTEOSA-N 2 1 346.475 1.677 20 0 EDADMP COC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000248071360 139157846 /nfs/dbraw/zinc/15/78/46/139157846.db2.gz MPOUFLAEFHJJPC-RTBURBONSA-N 2 1 345.487 1.899 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000249034834 139183464 /nfs/dbraw/zinc/18/34/64/139183464.db2.gz TVWBKFFQRDXBHQ-SJLPKXTDSA-N 2 1 348.491 1.120 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000249034834 139183465 /nfs/dbraw/zinc/18/34/65/139183465.db2.gz TVWBKFFQRDXBHQ-SJLPKXTDSA-N 2 1 348.491 1.120 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000249034834 139183466 /nfs/dbraw/zinc/18/34/66/139183466.db2.gz TVWBKFFQRDXBHQ-SJLPKXTDSA-N 2 1 348.491 1.120 20 0 EDADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000410772580 250372638 /nfs/dbraw/zinc/37/26/38/250372638.db2.gz FZCTVDJPAWSHNF-UHFFFAOYSA-N 2 1 340.512 1.119 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000250138264 139200670 /nfs/dbraw/zinc/20/06/70/139200670.db2.gz YMRNBTQUGIWLKA-NJAFHUGGSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000250138264 139200671 /nfs/dbraw/zinc/20/06/71/139200671.db2.gz YMRNBTQUGIWLKA-NJAFHUGGSA-N 2 1 331.460 1.392 20 0 EDADMP O=S(=O)(CCO)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000253351939 139206042 /nfs/dbraw/zinc/20/60/42/139206042.db2.gz MRNHRIDVLAWWRW-CVEARBPZSA-N 2 1 338.473 1.169 20 0 EDADMP O=S(=O)(CCO)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000253351939 139206043 /nfs/dbraw/zinc/20/60/43/139206043.db2.gz MRNHRIDVLAWWRW-CVEARBPZSA-N 2 1 338.473 1.169 20 0 EDADMP C[C@H](NC(=O)NCC[N@H+]1CCCC[C@H]1C)[C@H](C)N1CCOCC1 ZINC000253540805 139206625 /nfs/dbraw/zinc/20/66/25/139206625.db2.gz IQJFIZNNOJIRKG-PMPSAXMXSA-N 2 1 326.485 1.269 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)c2ccccc2)CC1 ZINC000261687255 139217595 /nfs/dbraw/zinc/21/75/95/139217595.db2.gz AWEPYFVIXOVRDV-MJGOQNOKSA-N 2 1 330.476 1.172 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261671621 139216064 /nfs/dbraw/zinc/21/60/64/139216064.db2.gz GGRRAPLUUPGOTJ-LPHOPBHVSA-N 2 1 330.476 1.394 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261671621 139216065 /nfs/dbraw/zinc/21/60/65/139216065.db2.gz GGRRAPLUUPGOTJ-LPHOPBHVSA-N 2 1 330.476 1.394 20 0 EDADMP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261806163 139227675 /nfs/dbraw/zinc/22/76/75/139227675.db2.gz FYXNUATZKHPFAH-XIRDDKMYSA-N 2 1 337.489 1.496 20 0 EDADMP CN(C)S(=O)(=O)c1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261806163 139227676 /nfs/dbraw/zinc/22/76/76/139227676.db2.gz FYXNUATZKHPFAH-XIRDDKMYSA-N 2 1 337.489 1.496 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000261867845 139232707 /nfs/dbraw/zinc/23/27/07/139232707.db2.gz KZNXUFDXWQHVNW-ZDUSSCGKSA-N 2 1 337.851 1.562 20 0 EDADMP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](CCc2cccs2)CC1 ZINC000261926577 139237672 /nfs/dbraw/zinc/23/76/72/139237672.db2.gz KEFYBILVHZARRJ-INIZCTEOSA-N 2 1 333.501 1.825 20 0 EDADMP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261919305 139236998 /nfs/dbraw/zinc/23/69/98/139236998.db2.gz YMTALRYABPNNRG-KUHUBIRLSA-N 2 1 328.460 1.886 20 0 EDADMP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261919305 139236999 /nfs/dbraw/zinc/23/69/99/139236999.db2.gz YMTALRYABPNNRG-KUHUBIRLSA-N 2 1 328.460 1.886 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000261935735 139238474 /nfs/dbraw/zinc/23/84/74/139238474.db2.gz LZUJHXGOJWLTAH-KRWDZBQOSA-N 2 1 331.460 1.762 20 0 EDADMP c1cc2c(s1)CCN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C2 ZINC000261962879 139240205 /nfs/dbraw/zinc/24/02/05/139240205.db2.gz PSXUHAWCOFOSRP-BRWVUGGUSA-N 2 1 335.517 1.853 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000261964497 139240402 /nfs/dbraw/zinc/24/04/02/139240402.db2.gz HQAMOWVQQOPVGN-SFHVURJKSA-N 2 1 341.459 1.692 20 0 EDADMP c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261997051 139242736 /nfs/dbraw/zinc/24/27/36/139242736.db2.gz UDSSSRQFBWRORZ-KZNAEPCWSA-N 2 1 330.476 1.929 20 0 EDADMP c1nc(-c2ccccn2)sc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262074401 139248720 /nfs/dbraw/zinc/24/87/20/139248720.db2.gz CZVCIURZNQBFBC-AWEZNQCLSA-N 2 1 329.473 1.685 20 0 EDADMP Cc1cc(C)n2c(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cnc2n1 ZINC000262093795 139250361 /nfs/dbraw/zinc/25/03/61/139250361.db2.gz UZBMXIDGDNGTIV-HNNXBMFYSA-N 2 1 344.463 1.166 20 0 EDADMP Cc1cc(C)n2c(C[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cnc2n1 ZINC000262093795 139250362 /nfs/dbraw/zinc/25/03/62/139250362.db2.gz UZBMXIDGDNGTIV-HNNXBMFYSA-N 2 1 344.463 1.166 20 0 EDADMP O=C(CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)N1CC[NH2+]CC1 ZINC000262247820 139263316 /nfs/dbraw/zinc/26/33/16/139263316.db2.gz WSHZIOWTRQGRKJ-OAHLLOKOSA-N 2 1 331.416 1.374 20 0 EDADMP CC[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000262277306 139265835 /nfs/dbraw/zinc/26/58/35/139265835.db2.gz LFKSVAJWCCKPBT-PMPKAZNVSA-N 2 1 349.519 1.709 20 0 EDADMP CN1CCN(Cc2cccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000262317016 139269458 /nfs/dbraw/zinc/26/94/58/139269458.db2.gz UTZWDHJWRAZTFH-IAGOWNOFSA-N 2 1 330.476 1.890 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000417014720 251131782 /nfs/dbraw/zinc/13/17/82/251131782.db2.gz FTPVNMZOVUINHK-QGZVFWFLSA-N 2 1 347.507 1.088 20 0 EDADMP COC[C@]1(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000417015857 251133399 /nfs/dbraw/zinc/13/33/99/251133399.db2.gz NBNVFTILERHJDJ-GOSISDBHSA-N 2 1 340.512 1.709 20 0 EDADMP CC[C@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417020152 251134792 /nfs/dbraw/zinc/13/47/92/251134792.db2.gz RRRFTIDZBWKLQH-MAUKXSAKSA-N 2 1 330.476 1.814 20 0 EDADMP C[C@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000417023788 251137134 /nfs/dbraw/zinc/13/71/34/251137134.db2.gz WQDHKRSGFNBUKE-HZPDHXFCSA-N 2 1 340.512 1.646 20 0 EDADMP CC(C)(CNC(=O)N[C@H](C[NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000417085889 251141658 /nfs/dbraw/zinc/14/16/58/251141658.db2.gz DGLSVFAYPFKRBH-QGZVFWFLSA-N 2 1 330.476 1.860 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000417172403 251144854 /nfs/dbraw/zinc/14/48/54/251144854.db2.gz HQTGBZZVCQQNNQ-KRWDZBQOSA-N 2 1 327.432 1.768 20 0 EDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000417498514 251180769 /nfs/dbraw/zinc/18/07/69/251180769.db2.gz GBYHQJCXAGPCDG-QYZOEREBSA-N 2 1 344.503 1.978 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)N[C@H](CC[N@@H+](C)CCOC)c2ccccc2)C1 ZINC000417521554 251183207 /nfs/dbraw/zinc/18/32/07/251183207.db2.gz ZHMVECZSZKXTBG-QZTJIDSGSA-N 2 1 348.491 1.699 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417552156 251186902 /nfs/dbraw/zinc/18/69/02/251186902.db2.gz CDUFBORICLWZGK-JKSUJKDBSA-N 2 1 326.485 1.319 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@@H+](C)Cc1ccccc1 ZINC000417596323 251202458 /nfs/dbraw/zinc/20/24/58/251202458.db2.gz ZUBWYRUHLRUEBD-QFBILLFUSA-N 2 1 330.476 1.902 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417615920 251206623 /nfs/dbraw/zinc/20/66/23/251206623.db2.gz YJJWWLONVAQVEJ-IAGOWNOFSA-N 2 1 340.512 1.646 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH2+]C)[C@@H](C)C1 ZINC000417667208 251221779 /nfs/dbraw/zinc/22/17/79/251221779.db2.gz GFFMQRCUMKLVAQ-ULQDDVLXSA-N 2 1 340.512 1.517 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000417760024 251259844 /nfs/dbraw/zinc/25/98/44/251259844.db2.gz XBVXQPMSWUZRNE-DLBZAZTESA-N 2 1 334.464 1.091 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000417719165 251240759 /nfs/dbraw/zinc/24/07/59/251240759.db2.gz WLPLUCZMXNLZQD-ROUUACIJSA-N 2 1 348.491 1.830 20 0 EDADMP CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417883062 251312903 /nfs/dbraw/zinc/31/29/03/251312903.db2.gz FDUGGEMPUKBFDT-SJORKVTESA-N 2 1 348.491 1.703 20 0 EDADMP CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417883062 251312908 /nfs/dbraw/zinc/31/29/08/251312908.db2.gz FDUGGEMPUKBFDT-SJORKVTESA-N 2 1 348.491 1.703 20 0 EDADMP C[NH2+]CCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418079445 251321385 /nfs/dbraw/zinc/32/13/85/251321385.db2.gz YFRYXVOCERAYPG-KRWDZBQOSA-N 2 1 334.464 1.186 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418104171 251322711 /nfs/dbraw/zinc/32/27/11/251322711.db2.gz JYANTSGYLVDLIV-GBESFXJTSA-N 2 1 342.487 1.902 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000418115400 251329232 /nfs/dbraw/zinc/32/92/32/251329232.db2.gz OFOQONDFKLNOIA-BZUAXINKSA-N 2 1 326.485 1.175 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000417855777 251299375 /nfs/dbraw/zinc/29/93/75/251299375.db2.gz LQTBRRSHYRNMNV-CXAGYDPISA-N 2 1 343.431 1.611 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000418429295 251368445 /nfs/dbraw/zinc/36/84/45/251368445.db2.gz QHDZAMFBBRIGCG-BBWFWOEESA-N 2 1 340.512 1.646 20 0 EDADMP CC[NH2+]CCNC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000418319755 251359724 /nfs/dbraw/zinc/35/97/24/251359724.db2.gz RQJXKJXIYAQCJM-UHFFFAOYSA-N 2 1 333.480 1.060 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000262534934 139284847 /nfs/dbraw/zinc/28/48/47/139284847.db2.gz QFOZMALGQMKHTP-UKRRQHHQSA-N 2 1 325.478 1.496 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000262534934 139284848 /nfs/dbraw/zinc/28/48/48/139284848.db2.gz QFOZMALGQMKHTP-UKRRQHHQSA-N 2 1 325.478 1.496 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)N1CC[NH+](CCc2ccccc2)CC1)C(F)F ZINC000418711672 251392307 /nfs/dbraw/zinc/39/23/07/251392307.db2.gz MWTZBCDNQSKYJY-OAHLLOKOSA-N 2 1 340.418 1.539 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000418686299 251386718 /nfs/dbraw/zinc/38/67/18/251386718.db2.gz ORLUOBBSQGWZFT-LEUOFYLZSA-N 2 1 330.476 1.866 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)CCCCCC[NH3+])cc2)CC1 ZINC000262628340 139291324 /nfs/dbraw/zinc/29/13/24/139291324.db2.gz CVCBXQZNWNKZKZ-UHFFFAOYSA-N 2 1 346.519 1.959 20 0 EDADMP Cn1c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)nc2ccccc2c1=O ZINC000420336151 251681227 /nfs/dbraw/zinc/68/12/27/251681227.db2.gz LMGUWRVWPPPRAC-MRXNPFEDSA-N 2 1 326.444 1.898 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420407607 251706850 /nfs/dbraw/zinc/70/68/50/251706850.db2.gz USZQMHHNESKFFD-LLVKDONJSA-N 2 1 345.365 1.818 20 0 EDADMP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422889625 252011438 /nfs/dbraw/zinc/01/14/38/252011438.db2.gz PYRZVRBFXKOZHR-VQIMIIECSA-N 3 1 346.519 1.991 20 0 EDADMP CC[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423348451 252048780 /nfs/dbraw/zinc/04/87/80/252048780.db2.gz TVHBMOWYNCZNSA-RISCZKNCSA-N 2 1 345.896 1.898 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000423353918 252050523 /nfs/dbraw/zinc/05/05/23/252050523.db2.gz FHMUQEKHQTUVDZ-JKSUJKDBSA-N 2 1 333.432 1.139 20 0 EDADMP O=C(COC1CC[NH2+]CC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000423352831 252050980 /nfs/dbraw/zinc/05/09/80/252050980.db2.gz CAPNZVJFMTZUFT-SFHVURJKSA-N 2 1 345.487 1.436 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422906275 252018699 /nfs/dbraw/zinc/01/86/99/252018699.db2.gz JLCGCTCVUUZKCD-MSOLQXFVSA-N 3 1 332.492 1.728 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000423863616 252095397 /nfs/dbraw/zinc/09/53/97/252095397.db2.gz AGKGQZFHYLIOLF-XWTMOSNGSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000423791195 252076012 /nfs/dbraw/zinc/07/60/12/252076012.db2.gz HCYJEZCMFVDBGX-QRVBRYPASA-N 2 1 344.503 1.996 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424144553 252141803 /nfs/dbraw/zinc/14/18/03/252141803.db2.gz LRVAONNQABLAFJ-HZPDHXFCSA-N 2 1 347.507 1.595 20 0 EDADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000424147615 252143420 /nfs/dbraw/zinc/14/34/20/252143420.db2.gz RUMYARGDJHNCKL-HZSPNIEDSA-N 2 1 327.350 1.743 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424150940 252146174 /nfs/dbraw/zinc/14/61/74/252146174.db2.gz ZYWCJFBGALZXDN-LSDHHAIUSA-N 2 1 334.468 1.197 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000153286404 224084086 /nfs/dbraw/zinc/08/40/86/224084086.db2.gz ZSUQGHCUYOFRKC-HGTKMLMNSA-N 2 1 336.432 1.473 20 0 EDADMP C[C@H](C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[NH+]1CCSCC1 ZINC000153354591 224091905 /nfs/dbraw/zinc/09/19/05/224091905.db2.gz VISWTUCZHSEDHR-CQSZACIVSA-N 2 1 339.480 1.811 20 0 EDADMP C[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[NH+]1CCSCC1 ZINC000153354591 224091907 /nfs/dbraw/zinc/09/19/07/224091907.db2.gz VISWTUCZHSEDHR-CQSZACIVSA-N 2 1 339.480 1.811 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000111832047 285024493 /nfs/dbraw/zinc/02/44/93/285024493.db2.gz BMMAWXUEZSTYCG-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H](CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000263256801 139331478 /nfs/dbraw/zinc/33/14/78/139331478.db2.gz LDMRLTPKUSKLKU-JKSUJKDBSA-N 2 1 337.508 1.724 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000263808600 139361953 /nfs/dbraw/zinc/36/19/53/139361953.db2.gz YZQOEABFYFMEEP-UHFFFAOYSA-N 2 1 336.480 1.338 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC[C@@H]1CCCO1 ZINC000337581028 285242597 /nfs/dbraw/zinc/24/25/97/285242597.db2.gz NUAYREZRRGJAIE-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000487179065 255028102 /nfs/dbraw/zinc/02/81/02/255028102.db2.gz CQDFHWMKDJPVFV-YJBOKZPZSA-N 2 1 330.476 1.965 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](OC)C(C)C ZINC000342253527 285244233 /nfs/dbraw/zinc/24/42/33/285244233.db2.gz UURFBZAKBFWQQR-SJORKVTESA-N 2 1 342.528 1.715 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCOCC1 ZINC000345756214 285246546 /nfs/dbraw/zinc/24/65/46/285246546.db2.gz ABLLZALOAPGVIB-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000494287698 255244256 /nfs/dbraw/zinc/24/42/56/255244256.db2.gz LROYRVYKNUWFLN-MRXNPFEDSA-N 2 1 337.464 1.005 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)C(C)C ZINC000494872908 255263724 /nfs/dbraw/zinc/26/37/24/255263724.db2.gz VUWSNIVIRFKKJY-MRXNPFEDSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C(C)C ZINC000494872908 255263725 /nfs/dbraw/zinc/26/37/25/255263725.db2.gz VUWSNIVIRFKKJY-MRXNPFEDSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C(C)C ZINC000494872908 255263726 /nfs/dbraw/zinc/26/37/26/255263726.db2.gz VUWSNIVIRFKKJY-MRXNPFEDSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH+]1CCC([NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000496301509 255377743 /nfs/dbraw/zinc/37/77/43/255377743.db2.gz FULSKRAWSDKLLP-GOSISDBHSA-N 2 1 341.496 1.822 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496238669 255368868 /nfs/dbraw/zinc/36/88/68/255368868.db2.gz MGTKAYFXLPNIFX-CYBMUJFWSA-N 2 1 327.473 1.357 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc2c(c1)nnn2C ZINC000349063593 285282367 /nfs/dbraw/zinc/28/23/67/285282367.db2.gz QTQJNIVBUCNMJB-KRWDZBQOSA-N 2 1 344.507 1.816 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417756147 285321690 /nfs/dbraw/zinc/32/16/90/285321690.db2.gz RWUDOMBWFBZPRO-NVXWUHKLSA-N 2 1 339.528 1.077 20 0 EDADMP C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)C[C@@H]1[NH3+] ZINC000415835966 304279563 /nfs/dbraw/zinc/27/95/63/304279563.db2.gz WTBCZXQURHMTQS-GUYCJALGSA-N 2 1 344.459 1.067 20 0 EDADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000264331890 139397935 /nfs/dbraw/zinc/39/79/35/139397935.db2.gz TWYPLTGFKBJHLG-INIZCTEOSA-N 2 1 345.491 1.820 20 0 EDADMP COc1ccc2c(c1)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)CCCO2 ZINC000178667901 533297562 /nfs/dbraw/zinc/29/75/62/533297562.db2.gz RAGKTKPDXSYWGY-QGZVFWFLSA-N 2 1 347.459 1.663 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000272017572 140388164 /nfs/dbraw/zinc/38/81/64/140388164.db2.gz VCCJDPIOLRRORF-WMZOPIPTSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000272017572 140388165 /nfs/dbraw/zinc/38/81/65/140388165.db2.gz VCCJDPIOLRRORF-WMZOPIPTSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C[N@H+]1CCO ZINC000416302444 304306590 /nfs/dbraw/zinc/30/65/90/304306590.db2.gz GCWJHLQCKLDNDR-RYRKJORJSA-N 2 1 333.476 1.593 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000331352189 141010642 /nfs/dbraw/zinc/01/06/42/141010642.db2.gz ONKZEVRKCJCGIJ-DLBZAZTESA-N 2 1 339.524 1.704 20 0 EDADMP C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1C1CC1 ZINC000331504560 141040018 /nfs/dbraw/zinc/04/00/18/141040018.db2.gz LZZNZZJYVAXWFT-DZGCQCFKSA-N 2 1 337.489 1.652 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)[C@H](C)C1 ZINC000333368965 141306911 /nfs/dbraw/zinc/30/69/11/141306911.db2.gz UTILQQDBTLHDFE-ZIAGYGMSSA-N 2 1 348.447 1.087 20 0 EDADMP Cc1cc(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000333470993 141322644 /nfs/dbraw/zinc/32/26/44/141322644.db2.gz AJKLPMSFOKAAJM-BBWFWOEESA-N 2 1 343.475 1.869 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CCC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000333592937 141341873 /nfs/dbraw/zinc/34/18/73/141341873.db2.gz OPPSNVXSYGXXKK-OAHLLOKOSA-N 2 1 332.452 1.113 20 0 EDADMP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000333802406 141384253 /nfs/dbraw/zinc/38/42/53/141384253.db2.gz IAEJTMLPKSTJGF-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1cccc(Cl)c1 ZINC000333851313 141394166 /nfs/dbraw/zinc/39/41/66/141394166.db2.gz NNZFOGNNQCUOJU-CVEARBPZSA-N 2 1 349.862 1.979 20 0 EDADMP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1cccc(Cl)c1 ZINC000333851313 141394168 /nfs/dbraw/zinc/39/41/68/141394168.db2.gz NNZFOGNNQCUOJU-CVEARBPZSA-N 2 1 349.862 1.979 20 0 EDADMP C[C@H]1[C@@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCC[N@H+]1C ZINC000345319950 143077326 /nfs/dbraw/zinc/07/73/26/143077326.db2.gz MQRSBGDLQGOEES-LPHOPBHVSA-N 2 1 344.503 1.647 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NCC[NH+](C(C)C)C(C)C)[N@@H+](C)C1 ZINC000345666396 143118826 /nfs/dbraw/zinc/11/88/26/143118826.db2.gz NIGJYNPCDHIYNW-CVEARBPZSA-N 2 1 328.501 1.466 20 0 EDADMP [NH3+][C@@H](CC(F)F)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000345732900 143127007 /nfs/dbraw/zinc/12/70/07/143127007.db2.gz NAKAOTDDWKZBQC-JTQLQIEISA-N 2 1 347.328 1.082 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)[NH+](C)C1 ZINC000346227119 143181049 /nfs/dbraw/zinc/18/10/49/143181049.db2.gz BLWOFHDIKYKTMO-YYIAUSFCSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)[N@H+](C)C1 ZINC000346227119 143181050 /nfs/dbraw/zinc/18/10/50/143181050.db2.gz BLWOFHDIKYKTMO-YYIAUSFCSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)[N@@H+](C)C1 ZINC000346227119 143181051 /nfs/dbraw/zinc/18/10/51/143181051.db2.gz BLWOFHDIKYKTMO-YYIAUSFCSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)C2(C[NH+](C)C)CCCCC2)[N@@H+](C)C1 ZINC000346700959 143234201 /nfs/dbraw/zinc/23/42/01/143234201.db2.gz JBFNEWMVTSBBTC-CVEARBPZSA-N 2 1 325.497 1.676 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1)N1CC[NH2+]CC1 ZINC000347025444 143273247 /nfs/dbraw/zinc/27/32/47/143273247.db2.gz SENNYYYZXSLOCB-MRXNPFEDSA-N 2 1 327.432 1.207 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000347034610 143274354 /nfs/dbraw/zinc/27/43/54/143274354.db2.gz CQDJVMKDRIALMV-INIZCTEOSA-N 2 1 326.485 1.127 20 0 EDADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347051786 143276611 /nfs/dbraw/zinc/27/66/11/143276611.db2.gz REKQCMNHXKEIQG-HNNXBMFYSA-N 2 1 347.507 1.189 20 0 EDADMP CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000347207353 143294866 /nfs/dbraw/zinc/29/48/66/143294866.db2.gz MWMVXUVWYMCOTC-KRWDZBQOSA-N 2 1 331.460 1.729 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)CC2)CCO1 ZINC000347562711 143335276 /nfs/dbraw/zinc/33/52/76/143335276.db2.gz UKLKTXFOPRTAMQ-AWEZNQCLSA-N 2 1 329.444 1.615 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C(=O)OC)n(C)c2)C1 ZINC000347874706 143373292 /nfs/dbraw/zinc/37/32/92/143373292.db2.gz WCTNGSKJQPFNFC-INIZCTEOSA-N 2 1 337.464 1.744 20 0 EDADMP CC(C)[C@H](C(=O)N(C)C1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348074581 143397809 /nfs/dbraw/zinc/39/78/09/143397809.db2.gz OVQUSLCXJCNJDQ-HLLBOEOZSA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[C@H](C(=O)N(C)C1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348074581 143397810 /nfs/dbraw/zinc/39/78/10/143397810.db2.gz OVQUSLCXJCNJDQ-HLLBOEOZSA-N 2 1 325.497 1.673 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]2OCC[C@H]21)c1ccccc1 ZINC000369868014 155211229 /nfs/dbraw/zinc/21/12/29/155211229.db2.gz NTFUITGIGUTURW-FGTMMUONSA-N 2 1 331.460 1.659 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]2OCC[C@H]21)c1ccccc1 ZINC000369868014 155211232 /nfs/dbraw/zinc/21/12/32/155211232.db2.gz NTFUITGIGUTURW-FGTMMUONSA-N 2 1 331.460 1.659 20 0 EDADMP Cc1nn(-c2ccccc2)cc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352691667 149118035 /nfs/dbraw/zinc/11/80/35/149118035.db2.gz NAANIBCRGSEPHE-IBGZPJMESA-N 2 1 325.460 1.660 20 0 EDADMP CSC[C@H](O)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352887239 149204708 /nfs/dbraw/zinc/20/47/08/149204708.db2.gz RWGIPLCIAOZUEU-RTBURBONSA-N 2 1 349.544 1.602 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC000416961894 304355933 /nfs/dbraw/zinc/35/59/33/304355933.db2.gz SSOCKHPKPGTOFS-INIZCTEOSA-N 2 1 326.485 1.256 20 0 EDADMP CC1CC[NH+](C[C@@H](O)CNC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000353307860 149360135 /nfs/dbraw/zinc/36/01/35/149360135.db2.gz LTBKBSHQFNZFJV-FQEVSTJZSA-N 2 1 346.519 1.728 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000573547620 306623536 /nfs/dbraw/zinc/62/35/36/306623536.db2.gz AJIXZPPUVDXHAQ-APWZRJJASA-N 2 1 346.475 1.693 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000416969061 304357431 /nfs/dbraw/zinc/35/74/31/304357431.db2.gz KAJKPRJWXBDQTO-KRWDZBQOSA-N 2 1 334.464 1.396 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416974154 304358523 /nfs/dbraw/zinc/35/85/23/304358523.db2.gz WKKXSJVVNIITQF-SOUVJXGZSA-N 2 1 334.464 1.442 20 0 EDADMP CC(C)COC[C@H](O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000354899430 150019433 /nfs/dbraw/zinc/01/94/33/150019433.db2.gz AQLNFPIMFIMMCB-GBESFXJTSA-N 2 1 341.540 1.510 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000355202517 150164193 /nfs/dbraw/zinc/16/41/93/150164193.db2.gz WCXLTAGSJUXSAG-INIZCTEOSA-N 2 1 331.464 1.071 20 0 EDADMP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)C[NH+](C)Cc3ccccc3)[C@H]2C1 ZINC000355368064 150238145 /nfs/dbraw/zinc/23/81/45/150238145.db2.gz KJSNPXQNOAGDSX-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)C[NH+](C)Cc3ccccc3)[C@H]2C1 ZINC000355368064 150238147 /nfs/dbraw/zinc/23/81/47/150238147.db2.gz KJSNPXQNOAGDSX-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000355368064 150238150 /nfs/dbraw/zinc/23/81/50/150238150.db2.gz KJSNPXQNOAGDSX-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000355368064 150238152 /nfs/dbraw/zinc/23/81/52/150238152.db2.gz KJSNPXQNOAGDSX-ROUUACIJSA-N 2 1 331.460 1.440 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000417029574 304362600 /nfs/dbraw/zinc/36/26/00/304362600.db2.gz CCQGITRMDDLUNK-XDNAFOTISA-N 2 1 336.524 1.995 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000355482541 150287475 /nfs/dbraw/zinc/28/74/75/150287475.db2.gz PLOOZHABMPMRBI-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000355482541 150287477 /nfs/dbraw/zinc/28/74/77/150287477.db2.gz PLOOZHABMPMRBI-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000355482541 150287480 /nfs/dbraw/zinc/28/74/80/150287480.db2.gz PLOOZHABMPMRBI-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP COC[C@@]1(CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000417032359 304363360 /nfs/dbraw/zinc/36/33/60/304363360.db2.gz FCZMECNFBKASTA-WMZOPIPTSA-N 2 1 340.512 1.566 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417048684 304366644 /nfs/dbraw/zinc/36/66/44/304366644.db2.gz XBKPPRMCLRZYNF-NUJGCVRESA-N 2 1 345.491 1.186 20 0 EDADMP COc1ccccc1NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000357655514 151104353 /nfs/dbraw/zinc/10/43/53/151104353.db2.gz ZQZDUYYLXLJFNI-OAHLLOKOSA-N 2 1 349.475 1.658 20 0 EDADMP C[NH+](C)CCn1nnnc1SCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000357734286 151130800 /nfs/dbraw/zinc/13/08/00/151130800.db2.gz WHKBQKDLYAFZTR-UHFFFAOYSA-N 2 1 338.456 1.598 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000358040680 151244827 /nfs/dbraw/zinc/24/48/27/151244827.db2.gz SFEOSKWIGYANDF-JKSUJKDBSA-N 2 1 349.541 1.041 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000358040680 151244830 /nfs/dbraw/zinc/24/48/30/151244830.db2.gz SFEOSKWIGYANDF-JKSUJKDBSA-N 2 1 349.541 1.041 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000358059089 151251678 /nfs/dbraw/zinc/25/16/78/151251678.db2.gz DCZJBHWUIFYMMC-APWZRJJASA-N 2 1 349.450 1.221 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000358059089 151251679 /nfs/dbraw/zinc/25/16/79/151251679.db2.gz DCZJBHWUIFYMMC-APWZRJJASA-N 2 1 349.450 1.221 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000358059089 151251680 /nfs/dbraw/zinc/25/16/80/151251680.db2.gz DCZJBHWUIFYMMC-APWZRJJASA-N 2 1 349.450 1.221 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000358313840 151334841 /nfs/dbraw/zinc/33/48/41/151334841.db2.gz NWWMRCMQNPGGOO-KRWDZBQOSA-N 2 1 338.496 1.367 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000370075285 155315267 /nfs/dbraw/zinc/31/52/67/155315267.db2.gz PBCJEYLFIOQTCL-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000370075285 155315269 /nfs/dbraw/zinc/31/52/69/155315269.db2.gz PBCJEYLFIOQTCL-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000417116692 304374054 /nfs/dbraw/zinc/37/40/54/304374054.db2.gz PTWRNIQZQNHEAL-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000417116692 304374056 /nfs/dbraw/zinc/37/40/56/304374056.db2.gz PTWRNIQZQNHEAL-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000360789599 152206169 /nfs/dbraw/zinc/20/61/69/152206169.db2.gz VWMJDAMOSNQRIE-INIZCTEOSA-N 2 1 342.528 1.859 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000360897632 152245233 /nfs/dbraw/zinc/24/52/33/152245233.db2.gz MWLKZGHGOGGHAY-IYBDPMFKSA-N 2 1 325.497 1.819 20 0 EDADMP O=C(CN1CCc2sccc2C1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000370137560 155343022 /nfs/dbraw/zinc/34/30/22/155343022.db2.gz CRCXBXBOZSVFOZ-OAHLLOKOSA-N 2 1 349.500 1.287 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000361000120 152274728 /nfs/dbraw/zinc/27/47/28/152274728.db2.gz YAMCBOJRGORYHP-MJGOQNOKSA-N 2 1 344.503 1.261 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000361351278 152369031 /nfs/dbraw/zinc/36/90/31/152369031.db2.gz KWWMOKLQTGDKRM-HXUWFJFHSA-N 2 1 346.519 1.873 20 0 EDADMP [NH3+]CCCCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417181588 304381577 /nfs/dbraw/zinc/38/15/77/304381577.db2.gz RSUIQENZAJCTTB-UHFFFAOYSA-N 2 1 340.418 1.967 20 0 EDADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cn4cccnc4n3)CC2)CC1 ZINC000363796840 153058948 /nfs/dbraw/zinc/05/89/48/153058948.db2.gz SIIDSFUARPVYBS-UHFFFAOYSA-N 2 1 342.491 1.579 20 0 EDADMP COC(=O)c1cn([C@H]2CCC[N@@H+](CCCn3ccnc3C)C2)nn1 ZINC000363996129 153117847 /nfs/dbraw/zinc/11/78/47/153117847.db2.gz DRDNYTLYIGJGLD-AWEZNQCLSA-N 2 1 332.408 1.297 20 0 EDADMP COC(=O)c1cn([C@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)nn1 ZINC000363996129 153117850 /nfs/dbraw/zinc/11/78/50/153117850.db2.gz DRDNYTLYIGJGLD-AWEZNQCLSA-N 2 1 332.408 1.297 20 0 EDADMP CC[N@H+]1CCCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC000364332535 153207334 /nfs/dbraw/zinc/20/73/34/153207334.db2.gz PQAQVWAUXQNXKC-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+]1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000364332535 153207337 /nfs/dbraw/zinc/20/73/37/153207337.db2.gz PQAQVWAUXQNXKC-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+]1CCCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000364332535 153207341 /nfs/dbraw/zinc/20/73/41/153207341.db2.gz PQAQVWAUXQNXKC-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CCc1nc(CN2CCC[C@H]([NH2+][C@@H]3CC[N@H+](CC)C[C@H]3C)C2)no1 ZINC000367703461 154234942 /nfs/dbraw/zinc/23/49/42/154234942.db2.gz YNAGIBYYHSXCLX-OWCLPIDISA-N 2 1 335.496 1.916 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000367906712 154320562 /nfs/dbraw/zinc/32/05/62/154320562.db2.gz YXPGABKXORLUSG-XGXHKWSGSA-N 2 1 333.476 1.637 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(C)(C)C ZINC000369447705 155039254 /nfs/dbraw/zinc/03/92/54/155039254.db2.gz KZZATYYADDUJIZ-XHSDSOJGSA-N 2 1 340.512 1.515 20 0 EDADMP CNC(=O)c1ccn([C@@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000369577044 155095890 /nfs/dbraw/zinc/09/58/90/155095890.db2.gz LUEIPTWAUSZWGS-MRXNPFEDSA-N 2 1 344.463 1.865 20 0 EDADMP CNC(=O)c1ccn([C@@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000369577044 155095891 /nfs/dbraw/zinc/09/58/91/155095891.db2.gz LUEIPTWAUSZWGS-MRXNPFEDSA-N 2 1 344.463 1.865 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000369582301 155097707 /nfs/dbraw/zinc/09/77/07/155097707.db2.gz AJJUNGHXWGRJDQ-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C[NH+]1CCOCC1 ZINC000371694248 156065529 /nfs/dbraw/zinc/06/55/29/156065529.db2.gz UEEYXXWXBMGUMZ-XYTVBORESA-N 2 1 338.496 1.127 20 0 EDADMP C[C@@H](CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C[NH+]1CCOCC1 ZINC000371694248 156065530 /nfs/dbraw/zinc/06/55/30/156065530.db2.gz UEEYXXWXBMGUMZ-XYTVBORESA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000371908120 156162709 /nfs/dbraw/zinc/16/27/09/156162709.db2.gz ZNUCUKKQLIAMHZ-CGTJXYLNSA-N 2 1 337.508 1.412 20 0 EDADMP CN(C)c1ccnc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000371972823 156190939 /nfs/dbraw/zinc/19/09/39/156190939.db2.gz HKVSWTPGCSYFGJ-KRWDZBQOSA-N 2 1 345.491 1.388 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000372248433 156287152 /nfs/dbraw/zinc/28/71/52/156287152.db2.gz HOTXNWAILPZENI-SJORKVTESA-N 2 1 337.508 1.678 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000372248433 156287156 /nfs/dbraw/zinc/28/71/56/156287156.db2.gz HOTXNWAILPZENI-SJORKVTESA-N 2 1 337.508 1.678 20 0 EDADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374285819 157226634 /nfs/dbraw/zinc/22/66/34/157226634.db2.gz DLOPGKUYCFXWFK-ZIAGYGMSSA-N 2 1 336.480 1.417 20 0 EDADMP CCC(CC)(CCO)NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000374655436 157356954 /nfs/dbraw/zinc/35/69/54/157356954.db2.gz NKLSCSKXUJXYSL-HNNXBMFYSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H]1CN=C(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)S1 ZINC000377891806 158021321 /nfs/dbraw/zinc/02/13/21/158021321.db2.gz DFOICZCVQLJENG-OLZOCXBDSA-N 2 1 333.461 1.396 20 0 EDADMP CC[C@@H](C)[C@@H](O)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378305333 158134565 /nfs/dbraw/zinc/13/45/65/158134565.db2.gz BNHGRKGYOFYSAY-CRAIPNDOSA-N 2 1 339.524 1.706 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000352524220 162230603 /nfs/dbraw/zinc/23/06/03/162230603.db2.gz ANGLDTRIBYXSRE-SFHVURJKSA-N 2 1 334.464 1.639 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000352524220 162230606 /nfs/dbraw/zinc/23/06/06/162230606.db2.gz ANGLDTRIBYXSRE-SFHVURJKSA-N 2 1 334.464 1.639 20 0 EDADMP C[N@H+](CCNS(=O)(=O)c1ccccc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364711640 162342085 /nfs/dbraw/zinc/34/20/85/162342085.db2.gz CEEGYMOTEGHFPB-HNNXBMFYSA-N 2 1 348.472 1.356 20 0 EDADMP C[N@@H+](CCNS(=O)(=O)c1ccccc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364711640 162342088 /nfs/dbraw/zinc/34/20/88/162342088.db2.gz CEEGYMOTEGHFPB-HNNXBMFYSA-N 2 1 348.472 1.356 20 0 EDADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000074109427 287267524 /nfs/dbraw/zinc/26/75/24/287267524.db2.gz MXWYDPCSKFPLAE-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000074100624 287267615 /nfs/dbraw/zinc/26/76/15/287267615.db2.gz SDCNMDYKROYYSE-GOEBONIOSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000074133898 287268157 /nfs/dbraw/zinc/26/81/57/287268157.db2.gz DJINMFOPYOYJEI-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000074134188 287268234 /nfs/dbraw/zinc/26/82/34/287268234.db2.gz HPHSFADKFYZGBF-IRXDYDNUSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000665758393 452328516 /nfs/dbraw/zinc/32/85/16/452328516.db2.gz HAQMCMSNNPMGQZ-XHSDSOJGSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000665758393 452328546 /nfs/dbraw/zinc/32/85/46/452328546.db2.gz HAQMCMSNNPMGQZ-XHSDSOJGSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000274381065 268131656 /nfs/dbraw/zinc/13/16/56/268131656.db2.gz AVWWUSXSAVXSML-CQSZACIVSA-N 2 1 327.428 1.913 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972287 268254200 /nfs/dbraw/zinc/25/42/00/268254200.db2.gz YDUWKSKMNHERGR-DFQSSKMNSA-N 2 1 330.520 1.732 20 0 EDADMP C[C@H](NC[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274972287 268254202 /nfs/dbraw/zinc/25/42/02/268254202.db2.gz YDUWKSKMNHERGR-DFQSSKMNSA-N 2 1 330.520 1.732 20 0 EDADMP C[C@H](NC[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274972287 268254205 /nfs/dbraw/zinc/25/42/05/268254205.db2.gz YDUWKSKMNHERGR-DFQSSKMNSA-N 2 1 330.520 1.732 20 0 EDADMP C[C@H](NC[C@@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972287 268254206 /nfs/dbraw/zinc/25/42/06/268254206.db2.gz YDUWKSKMNHERGR-DFQSSKMNSA-N 2 1 330.520 1.732 20 0 EDADMP C[C@H](NC[C@@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972287 268254209 /nfs/dbraw/zinc/25/42/09/268254209.db2.gz YDUWKSKMNHERGR-DFQSSKMNSA-N 2 1 330.520 1.732 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000275849919 268377800 /nfs/dbraw/zinc/37/78/00/268377800.db2.gz AWLMKWJINSUHPS-UHFFFAOYSA-N 2 1 348.447 1.249 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000274535639 273093556 /nfs/dbraw/zinc/09/35/56/273093556.db2.gz JNIGQHCYTRSLAK-UHFFFAOYSA-N 2 1 333.476 1.329 20 0 EDADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccncc1 ZINC000174241561 272935448 /nfs/dbraw/zinc/93/54/48/272935448.db2.gz ZKMJETSHLSANEQ-UHFFFAOYSA-N 2 1 332.448 1.597 20 0 EDADMP OC1CC[NH+](CCC[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000279838910 273332440 /nfs/dbraw/zinc/33/24/40/273332440.db2.gz HMAWLKQKOULYAD-UHFFFAOYSA-N 2 1 349.866 1.857 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@](C)(O)CC1)c1ccccc1 ZINC000280163547 273346684 /nfs/dbraw/zinc/34/66/84/273346684.db2.gz SESNOWMYXDQOKB-IEBWSBKVSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+](CC)CC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188180560 276092941 /nfs/dbraw/zinc/09/29/41/276092941.db2.gz VLABKHWFOITVIP-LJQANCHMSA-N 2 1 333.476 1.424 20 0 EDADMP CC[N@H+](CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)C1CC1 ZINC000264245437 276129032 /nfs/dbraw/zinc/12/90/32/276129032.db2.gz PKHSVZUQKJOEIB-LJQANCHMSA-N 2 1 344.503 1.576 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)C1CC1 ZINC000264245437 276129033 /nfs/dbraw/zinc/12/90/33/276129033.db2.gz PKHSVZUQKJOEIB-LJQANCHMSA-N 2 1 344.503 1.576 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000353811703 276242466 /nfs/dbraw/zinc/24/24/66/276242466.db2.gz FNHJBHZWQLQDMT-HZPDHXFCSA-N 2 1 332.496 1.143 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000353811703 276242467 /nfs/dbraw/zinc/24/24/67/276242467.db2.gz FNHJBHZWQLQDMT-HZPDHXFCSA-N 2 1 332.496 1.143 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000331360519 276359195 /nfs/dbraw/zinc/35/91/95/276359195.db2.gz XXCBWIKJJVEMBF-JKSUJKDBSA-N 2 1 325.497 1.316 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3[C@@H](C)CCC[C@@H]3C)C2)CC1 ZINC000245935008 276386169 /nfs/dbraw/zinc/38/61/69/276386169.db2.gz RSAABAJTHLMFQD-OKZBNKHCSA-N 2 1 336.524 1.488 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C[C@@H]1Cc1ccccc1 ZINC000353434386 277092093 /nfs/dbraw/zinc/09/20/93/277092093.db2.gz DHLGBFUBOOHPNN-MJGOQNOKSA-N 2 1 342.487 1.791 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C[C@@H]1Cc1ccccc1 ZINC000353434386 277092094 /nfs/dbraw/zinc/09/20/94/277092094.db2.gz DHLGBFUBOOHPNN-MJGOQNOKSA-N 2 1 342.487 1.791 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1Cc1ccccc1 ZINC000353434386 277092095 /nfs/dbraw/zinc/09/20/95/277092095.db2.gz DHLGBFUBOOHPNN-MJGOQNOKSA-N 2 1 342.487 1.791 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1Cc1ccccc1 ZINC000353434386 277092097 /nfs/dbraw/zinc/09/20/97/277092097.db2.gz DHLGBFUBOOHPNN-MJGOQNOKSA-N 2 1 342.487 1.791 20 0 EDADMP COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000337327196 277103631 /nfs/dbraw/zinc/10/36/31/277103631.db2.gz XBAJRHMRCWEQJL-IRXDYDNUSA-N 2 1 325.497 1.676 20 0 EDADMP COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000337327196 277103634 /nfs/dbraw/zinc/10/36/34/277103634.db2.gz XBAJRHMRCWEQJL-IRXDYDNUSA-N 2 1 325.497 1.676 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCOC[C@@H](C4CCC4)C3)cn2)CC1 ZINC000366546750 277114264 /nfs/dbraw/zinc/11/42/64/277114264.db2.gz WCGQQZUWRCJGLV-SFHVURJKSA-N 2 1 345.491 1.477 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCOC[C@@H](C4CCC4)C3)cn2)CC1 ZINC000366546750 277114265 /nfs/dbraw/zinc/11/42/65/277114265.db2.gz WCGQQZUWRCJGLV-SFHVURJKSA-N 2 1 345.491 1.477 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423897096 277328453 /nfs/dbraw/zinc/32/84/53/277328453.db2.gz HCRWUCBHMLPEOK-NJAFHUGGSA-N 2 1 333.476 1.767 20 0 EDADMP CS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000658229416 452796488 /nfs/dbraw/zinc/79/64/88/452796488.db2.gz RQSUOIPSSHZMTI-HNNXBMFYSA-N 2 1 329.510 1.407 20 0 EDADMP CS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000658229416 452796495 /nfs/dbraw/zinc/79/64/95/452796495.db2.gz RQSUOIPSSHZMTI-HNNXBMFYSA-N 2 1 329.510 1.407 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000333281878 278047507 /nfs/dbraw/zinc/04/75/07/278047507.db2.gz MPZPOFAXXJESQN-NBOOPKSLSA-N 2 1 347.507 1.650 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)C[NH+]1CCOCC1 ZINC000351212525 278201433 /nfs/dbraw/zinc/20/14/33/278201433.db2.gz HFHVDSSRTHHKEW-IKGGRYGDSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C)C[NH+]1CCOCC1 ZINC000351212525 278201434 /nfs/dbraw/zinc/20/14/34/278201434.db2.gz HFHVDSSRTHHKEW-IKGGRYGDSA-N 2 1 338.496 1.223 20 0 EDADMP Cc1nccn1CC[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000286662040 288056787 /nfs/dbraw/zinc/05/67/87/288056787.db2.gz FZCAWWWZILSJDD-FUHWJXTLSA-N 2 1 330.480 1.940 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000286662040 288056789 /nfs/dbraw/zinc/05/67/89/288056789.db2.gz FZCAWWWZILSJDD-FUHWJXTLSA-N 3 1 330.480 1.940 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000286662040 288056790 /nfs/dbraw/zinc/05/67/90/288056790.db2.gz FZCAWWWZILSJDD-FUHWJXTLSA-N 3 1 330.480 1.940 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286667223 288058047 /nfs/dbraw/zinc/05/80/47/288058047.db2.gz UYWDPSHCOHZHAY-NXWXRZEISA-N 2 1 345.487 1.611 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)[C@@H]1CCC[C@H]1O ZINC000286667223 288058049 /nfs/dbraw/zinc/05/80/49/288058049.db2.gz UYWDPSHCOHZHAY-NXWXRZEISA-N 2 1 345.487 1.611 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)[C@@H]1CCC[C@H]1O ZINC000286667223 288058051 /nfs/dbraw/zinc/05/80/51/288058051.db2.gz UYWDPSHCOHZHAY-NXWXRZEISA-N 2 1 345.487 1.611 20 0 EDADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496483262 279036801 /nfs/dbraw/zinc/03/68/01/279036801.db2.gz XYFBWCJADKNUHS-WMLDXEAASA-N 2 1 329.485 1.536 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496483262 279036802 /nfs/dbraw/zinc/03/68/02/279036802.db2.gz XYFBWCJADKNUHS-WMLDXEAASA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496483262 279036804 /nfs/dbraw/zinc/03/68/04/279036804.db2.gz XYFBWCJADKNUHS-WMLDXEAASA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496483262 279036806 /nfs/dbraw/zinc/03/68/06/279036806.db2.gz XYFBWCJADKNUHS-WMLDXEAASA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000352220669 279108182 /nfs/dbraw/zinc/10/81/82/279108182.db2.gz DCBZMIPBDOBRCT-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000354904486 279110353 /nfs/dbraw/zinc/11/03/53/279110353.db2.gz WCMPSZJOCYZJCT-WMZOPIPTSA-N 2 1 348.491 1.713 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000339942430 279116610 /nfs/dbraw/zinc/11/66/10/279116610.db2.gz FOBMQVSNNSRFGK-OAGGEKHMSA-N 2 1 328.501 1.515 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000341326687 279332200 /nfs/dbraw/zinc/33/22/00/279332200.db2.gz XORQNLURUHGMRI-HOTGVXAUSA-N 2 1 325.522 1.804 20 0 EDADMP C[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000287075678 288150908 /nfs/dbraw/zinc/15/09/08/288150908.db2.gz KHWGBEYATAWFSF-GOSISDBHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000287075678 288150910 /nfs/dbraw/zinc/15/09/10/288150910.db2.gz KHWGBEYATAWFSF-GOSISDBHSA-N 2 1 330.476 1.649 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnc(OC)c1 ZINC000287198676 288178828 /nfs/dbraw/zinc/17/88/28/288178828.db2.gz DQEHVCMNOCYGKO-INIZCTEOSA-N 2 1 349.479 1.970 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000287459598 288242797 /nfs/dbraw/zinc/24/27/97/288242797.db2.gz GZQYTAJNGWIJNL-CVEARBPZSA-N 2 1 348.491 1.345 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000291217123 289020072 /nfs/dbraw/zinc/02/00/72/289020072.db2.gz LEOKILIVTNTDMK-QGZVFWFLSA-N 2 1 333.476 1.342 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000291217123 289020073 /nfs/dbraw/zinc/02/00/73/289020073.db2.gz LEOKILIVTNTDMK-QGZVFWFLSA-N 2 1 333.476 1.342 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)C[C@@H](C)O)CC2)cc1 ZINC000291217123 289020075 /nfs/dbraw/zinc/02/00/75/289020075.db2.gz LEOKILIVTNTDMK-QGZVFWFLSA-N 2 1 333.476 1.342 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C[C@@H](C)O)CC2)cc1 ZINC000291217123 289020076 /nfs/dbraw/zinc/02/00/76/289020076.db2.gz LEOKILIVTNTDMK-QGZVFWFLSA-N 2 1 333.476 1.342 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000341070495 289138083 /nfs/dbraw/zinc/13/80/83/289138083.db2.gz QGFBNLSNXKJNBM-ULQDDVLXSA-N 2 1 338.496 1.365 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000291840471 289194210 /nfs/dbraw/zinc/19/42/10/289194210.db2.gz CSZMLGQLSVDGLX-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000291840471 289194212 /nfs/dbraw/zinc/19/42/12/289194212.db2.gz CSZMLGQLSVDGLX-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000291840471 289194214 /nfs/dbraw/zinc/19/42/14/289194214.db2.gz CSZMLGQLSVDGLX-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000291840471 289194215 /nfs/dbraw/zinc/19/42/15/289194215.db2.gz CSZMLGQLSVDGLX-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C1 ZINC000373296297 289211834 /nfs/dbraw/zinc/21/18/34/289211834.db2.gz LBMVBQOHKJOZSR-OAHLLOKOSA-N 2 1 333.480 1.135 20 0 EDADMP C[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C1 ZINC000373296297 289211836 /nfs/dbraw/zinc/21/18/36/289211836.db2.gz LBMVBQOHKJOZSR-OAHLLOKOSA-N 2 1 333.480 1.135 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC[C@@H]2CCC[NH2+]2)c1 ZINC000292093905 289259576 /nfs/dbraw/zinc/25/95/76/289259576.db2.gz NQUGWPGGNADDHN-DOTOQJQBSA-N 2 1 344.459 1.607 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC[C@@H]2CCC[NH2+]2)c1 ZINC000292093905 289259578 /nfs/dbraw/zinc/25/95/78/289259578.db2.gz NQUGWPGGNADDHN-DOTOQJQBSA-N 2 1 344.459 1.607 20 0 EDADMP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246567898 289272078 /nfs/dbraw/zinc/27/20/78/289272078.db2.gz GLIZBZHUFNSHIJ-XDNAFOTISA-N 2 1 337.508 1.819 20 0 EDADMP C[C@H](C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)N1CC[NH+](C)CC1 ZINC000338047933 289277575 /nfs/dbraw/zinc/27/75/75/289277575.db2.gz LTTQTPHBHRZLNY-XDNAFOTISA-N 2 1 336.524 1.486 20 0 EDADMP C[C@H](C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)N1CC[NH+](C)CC1 ZINC000338047933 289277578 /nfs/dbraw/zinc/27/75/78/289277578.db2.gz LTTQTPHBHRZLNY-XDNAFOTISA-N 2 1 336.524 1.486 20 0 EDADMP C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422860406 289604794 /nfs/dbraw/zinc/60/47/94/289604794.db2.gz MAUOMMOJEUJRFQ-YVWKXTFCSA-N 2 1 344.503 1.468 20 0 EDADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000164598421 533692997 /nfs/dbraw/zinc/69/29/97/533692997.db2.gz QFHMPLFORSVJAL-QAPCUYQASA-N 2 1 331.460 1.523 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000164598421 533693010 /nfs/dbraw/zinc/69/30/10/533693010.db2.gz QFHMPLFORSVJAL-QAPCUYQASA-N 2 1 331.460 1.523 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2CC23CC[NH2+]CC3)C[C@@H](C)O1 ZINC000261990522 297017136 /nfs/dbraw/zinc/01/71/36/297017136.db2.gz YCDQJOIZJGWQJF-WCXIOVBPSA-N 2 1 335.492 1.476 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000333939170 295318726 /nfs/dbraw/zinc/31/87/26/295318726.db2.gz NAAPWMHGWWOMDC-NCOADZHNSA-N 2 1 336.480 1.151 20 0 EDADMP C[C@H](CCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)[NH+](C)C ZINC000664448857 453105237 /nfs/dbraw/zinc/10/52/37/453105237.db2.gz UIVJNQKAXNVQCA-PMPSAXMXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418638005 300245988 /nfs/dbraw/zinc/24/59/88/300245988.db2.gz KKVBEMVNZUANIQ-LSDHHAIUSA-N 2 1 340.512 1.251 20 0 EDADMP COC(=O)c1ccsc1N1CC[C@@H]([NH+]2CCC(C[NH3+])CC2)C1=O ZINC000420274469 304741763 /nfs/dbraw/zinc/74/17/63/304741763.db2.gz ORKHPAVVSXAURX-CYBMUJFWSA-N 2 1 337.445 1.311 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000448475905 447322959 /nfs/dbraw/zinc/32/29/59/447322959.db2.gz WZOVCMAYFUAXMC-INIZCTEOSA-N 2 1 333.480 1.583 20 0 EDADMP COC1(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCCCC1 ZINC000664702066 453331712 /nfs/dbraw/zinc/33/17/12/453331712.db2.gz NEUFRHVWKZILTI-INIZCTEOSA-N 2 1 342.528 1.907 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 ZINC000294357747 303096493 /nfs/dbraw/zinc/09/64/93/303096493.db2.gz YTMPCZCVZUQPGS-SFHVURJKSA-N 2 1 325.416 1.825 20 0 EDADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CC[NH2+]CC1 ZINC000414977394 303117290 /nfs/dbraw/zinc/11/72/90/303117290.db2.gz RLDFMIKPVKKXGK-YJNKXOJESA-N 3 1 334.430 1.333 20 0 EDADMP Cc1ccccc1[C@@H](N)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000295318129 303204127 /nfs/dbraw/zinc/20/41/27/303204127.db2.gz YTZQLJRJNTXBME-QGZVFWFLSA-N 2 1 343.431 1.162 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](C)[C@H](C)CO)CC1 ZINC000295808455 303270226 /nfs/dbraw/zinc/27/02/26/303270226.db2.gz TXBFGZYDAAZZBW-QZTJIDSGSA-N 2 1 347.503 1.636 20 0 EDADMP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccncn1 ZINC000390640529 303849557 /nfs/dbraw/zinc/84/95/57/303849557.db2.gz GZHUKRMEUKHATE-KRWDZBQOSA-N 2 1 325.460 1.945 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000414884136 447343350 /nfs/dbraw/zinc/34/33/50/447343350.db2.gz URPISEXCJBWYFX-MRXNPFEDSA-N 2 1 346.475 1.725 20 0 EDADMP c1ncn(C2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)n1 ZINC000420897118 304782128 /nfs/dbraw/zinc/78/21/28/304782128.db2.gz AIFCIENZIOBLON-UHFFFAOYSA-N 2 1 341.459 1.947 20 0 EDADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422706722 304878938 /nfs/dbraw/zinc/87/89/38/304878938.db2.gz UYNFXYKEBFXBCG-SLHHOWHOSA-N 2 1 337.489 1.871 20 0 EDADMP C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1c[nH+]ccc1N ZINC000423145662 304888383 /nfs/dbraw/zinc/88/83/83/304888383.db2.gz LXDIWOJCZISFAG-SNVBAGLBSA-N 2 1 337.221 1.769 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H]([NH3+])[C@@H](C)C3)cc2F)CC1 ZINC000423983678 304922355 /nfs/dbraw/zinc/92/23/55/304922355.db2.gz TUYCEEFTBGNBLB-BBRMVZONSA-N 2 1 334.439 1.387 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CCC([N@H+](C)C[C@H](C)O)CC2)CC1 ZINC000427891656 305000585 /nfs/dbraw/zinc/00/05/85/305000585.db2.gz GFDSSJQENYKJIC-HNNXBMFYSA-N 2 1 325.497 1.410 20 0 EDADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CC[NH+](C)CC1 ZINC000428227974 305008679 /nfs/dbraw/zinc/00/86/79/305008679.db2.gz SYJKSCDXJKBIFI-LLVKDONJSA-N 2 1 328.254 1.683 20 0 EDADMP Cc1cc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ncn1 ZINC000428294998 305009105 /nfs/dbraw/zinc/00/91/05/305009105.db2.gz ISLNXTWPQYXTJB-CALCHBBNSA-N 2 1 348.491 1.875 20 0 EDADMP Cc1cc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ncn1 ZINC000428294998 305009106 /nfs/dbraw/zinc/00/91/06/305009106.db2.gz ISLNXTWPQYXTJB-CALCHBBNSA-N 2 1 348.491 1.875 20 0 EDADMP CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)C12CCCC2 ZINC000429690832 305035345 /nfs/dbraw/zinc/03/53/45/305035345.db2.gz UKZVMYCQCAIZIX-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)C12CCCC2 ZINC000429690832 305035346 /nfs/dbraw/zinc/03/53/46/305035346.db2.gz UKZVMYCQCAIZIX-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP O=C(CC[N@@H+]1CCC[NH2+]CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000430610164 305058837 /nfs/dbraw/zinc/05/88/37/305058837.db2.gz JSOONRSKDADUTO-UHFFFAOYSA-N 2 1 330.432 1.437 20 0 EDADMP O=C(CC[N@H+]1CCC[NH2+]CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000430610164 305058838 /nfs/dbraw/zinc/05/88/38/305058838.db2.gz JSOONRSKDADUTO-UHFFFAOYSA-N 2 1 330.432 1.437 20 0 EDADMP Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430629790 305060235 /nfs/dbraw/zinc/06/02/35/305060235.db2.gz QXDSZSTWSPAZDU-MRXNPFEDSA-N 2 1 344.459 1.077 20 0 EDADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430629790 305060236 /nfs/dbraw/zinc/06/02/36/305060236.db2.gz QXDSZSTWSPAZDU-MRXNPFEDSA-N 2 1 344.459 1.077 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000430634359 305060546 /nfs/dbraw/zinc/06/05/46/305060546.db2.gz DITWBKFJUKCKLA-GFCCVEGCSA-N 2 1 334.445 1.690 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000430634359 305060547 /nfs/dbraw/zinc/06/05/47/305060547.db2.gz DITWBKFJUKCKLA-GFCCVEGCSA-N 2 1 334.445 1.690 20 0 EDADMP COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000430637371 305060612 /nfs/dbraw/zinc/06/06/12/305060612.db2.gz AVSPKMXVYLACRZ-GFCCVEGCSA-N 2 1 348.447 1.651 20 0 EDADMP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000430637372 305060620 /nfs/dbraw/zinc/06/06/20/305060620.db2.gz AVSPKMXVYLACRZ-LBPRGKRZSA-N 2 1 348.447 1.651 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COC3C[NH2+]C3)cc2)C1 ZINC000430746503 305063898 /nfs/dbraw/zinc/06/38/98/305063898.db2.gz HNQUOYJCFHTJGX-OAHLLOKOSA-N 2 1 331.460 1.523 20 0 EDADMP C[NH2+]C1CC[NH+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000430924643 305068414 /nfs/dbraw/zinc/06/84/14/305068414.db2.gz BAYZWTVTDIVKSV-UHFFFAOYSA-N 2 1 348.466 1.548 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H](C[NH3+])C(C)C)cc2)CC1 ZINC000433161092 305102219 /nfs/dbraw/zinc/10/22/19/305102219.db2.gz QJDAYHHYAKMSNQ-SFHVURJKSA-N 2 1 332.492 1.994 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000433326331 305105953 /nfs/dbraw/zinc/10/59/53/305105953.db2.gz KQLICJXGQZHBNU-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000433326331 305105954 /nfs/dbraw/zinc/10/59/54/305105954.db2.gz KQLICJXGQZHBNU-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000433326331 305105955 /nfs/dbraw/zinc/10/59/55/305105955.db2.gz KQLICJXGQZHBNU-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000434193051 305118636 /nfs/dbraw/zinc/11/86/36/305118636.db2.gz FVIHWNOTEUPCMP-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000434193051 305118637 /nfs/dbraw/zinc/11/86/37/305118637.db2.gz FVIHWNOTEUPCMP-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434193051 305118638 /nfs/dbraw/zinc/11/86/38/305118638.db2.gz FVIHWNOTEUPCMP-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434193051 305118639 /nfs/dbraw/zinc/11/86/39/305118639.db2.gz FVIHWNOTEUPCMP-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)o1 ZINC000435375124 305139379 /nfs/dbraw/zinc/13/93/79/305139379.db2.gz ZUJNJCIHXYCYKP-ZDUSSCGKSA-N 2 1 331.420 1.265 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC000436294405 305155566 /nfs/dbraw/zinc/15/55/66/305155566.db2.gz OPIGVLIEDGYIQW-UKRRQHHQSA-N 2 1 343.468 1.519 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)CC[N@H+]1C ZINC000436294405 305155567 /nfs/dbraw/zinc/15/55/67/305155567.db2.gz OPIGVLIEDGYIQW-UKRRQHHQSA-N 2 1 343.468 1.519 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)c1C ZINC000437766243 305179221 /nfs/dbraw/zinc/17/92/21/305179221.db2.gz VMNVTDSWYYTRFE-INIZCTEOSA-N 2 1 336.480 1.885 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)c1C ZINC000437766243 305179222 /nfs/dbraw/zinc/17/92/22/305179222.db2.gz VMNVTDSWYYTRFE-INIZCTEOSA-N 2 1 336.480 1.885 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443067853 305234357 /nfs/dbraw/zinc/23/43/57/305234357.db2.gz GYHXMUAUCORUIM-GDBMZVCRSA-N 2 1 332.448 1.462 20 0 EDADMP CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443057084 305234385 /nfs/dbraw/zinc/23/43/85/305234385.db2.gz FJYGJIGDGCIJCD-AWEZNQCLSA-N 2 1 332.448 1.388 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C[C@H](C)C2)C1 ZINC000443639784 305240420 /nfs/dbraw/zinc/24/04/20/305240420.db2.gz LOVCLITXJREDGM-OKZBNKHCSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C[C@H](C)C2)C1 ZINC000443639784 305240421 /nfs/dbraw/zinc/24/04/21/305240421.db2.gz LOVCLITXJREDGM-OKZBNKHCSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C[C@H](C)C2)C1 ZINC000443639784 305240422 /nfs/dbraw/zinc/24/04/22/305240422.db2.gz LOVCLITXJREDGM-OKZBNKHCSA-N 2 1 339.524 1.827 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444264856 305244869 /nfs/dbraw/zinc/24/48/69/305244869.db2.gz DEYYJBPWRADHGL-KPFFTGBYSA-N 2 1 342.487 1.313 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000448214900 305293914 /nfs/dbraw/zinc/29/39/14/305293914.db2.gz SJOQDGMZIRPZSE-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000448214900 305293915 /nfs/dbraw/zinc/29/39/15/305293915.db2.gz SJOQDGMZIRPZSE-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000448214900 305293916 /nfs/dbraw/zinc/29/39/16/305293916.db2.gz SJOQDGMZIRPZSE-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448252476 305294663 /nfs/dbraw/zinc/29/46/63/305294663.db2.gz PEXAPEURBNAHHE-OAHLLOKOSA-N 2 1 328.501 1.326 20 0 EDADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000449119872 305307147 /nfs/dbraw/zinc/30/71/47/305307147.db2.gz AOZREYOODTZCOS-IRXDYDNUSA-N 2 1 338.540 1.639 20 0 EDADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)c1cccc(Cl)c1 ZINC000449713350 305317913 /nfs/dbraw/zinc/31/79/13/305317913.db2.gz XEOWDAFIXUNPDY-GJZGRUSLSA-N 2 1 325.840 1.437 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+](CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC000451708244 305363626 /nfs/dbraw/zinc/36/36/26/305363626.db2.gz JAEDLAPQFWYQLJ-MRXNPFEDSA-N 2 1 328.416 1.893 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+](CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC000451708244 305363627 /nfs/dbraw/zinc/36/36/27/305363627.db2.gz JAEDLAPQFWYQLJ-MRXNPFEDSA-N 2 1 328.416 1.893 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](CCCO)C1)c1ccccc1 ZINC000452126842 305384313 /nfs/dbraw/zinc/38/43/13/305384313.db2.gz VAINENCEHFZXKY-SJLPKXTDSA-N 2 1 333.476 1.500 20 0 EDADMP CC[C@@H](C(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@@H+](C)Cc1ccccc1 ZINC000452382490 305395807 /nfs/dbraw/zinc/39/58/07/305395807.db2.gz MLOGIXAJLDSODN-OALUTQOASA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+](C)Cc1ccccc1 ZINC000452382490 305395808 /nfs/dbraw/zinc/39/58/08/305395808.db2.gz MLOGIXAJLDSODN-OALUTQOASA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+](C)Cc1ccccc1 ZINC000452382490 305395809 /nfs/dbraw/zinc/39/58/09/305395809.db2.gz MLOGIXAJLDSODN-OALUTQOASA-N 2 1 347.503 1.860 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000414908149 447351852 /nfs/dbraw/zinc/35/18/52/447351852.db2.gz BBZHDPJTGONFIL-KRWDZBQOSA-N 2 1 346.475 1.677 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000484903091 305545683 /nfs/dbraw/zinc/54/56/83/305545683.db2.gz CMYCELCGMXMIEU-QBPKDAKJSA-N 2 1 340.512 1.061 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn2c1CCC2 ZINC000448854212 447353464 /nfs/dbraw/zinc/35/34/64/447353464.db2.gz UCYVLTFLWQHSRD-OAHLLOKOSA-N 2 1 333.480 1.317 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC)C2)CC1 ZINC000495482514 305639565 /nfs/dbraw/zinc/63/95/65/305639565.db2.gz VZODDWPZGIAKBU-HUUCEWRRSA-N 2 1 327.469 1.554 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000414914094 447355252 /nfs/dbraw/zinc/35/52/52/447355252.db2.gz WVUBLXXJTCEARU-INIZCTEOSA-N 2 1 346.475 1.535 20 0 EDADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458421331 447358492 /nfs/dbraw/zinc/35/84/92/447358492.db2.gz HYCSBELMNBZDKP-CVEARBPZSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458421331 447358495 /nfs/dbraw/zinc/35/84/95/447358495.db2.gz HYCSBELMNBZDKP-CVEARBPZSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458421331 447358497 /nfs/dbraw/zinc/35/84/97/447358497.db2.gz HYCSBELMNBZDKP-CVEARBPZSA-N 2 1 338.496 1.149 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4c(c3)nnn4C)C2)CC1 ZINC000537660224 306028689 /nfs/dbraw/zinc/02/86/89/306028689.db2.gz AWRSCCISIZXNGW-QGZVFWFLSA-N 2 1 342.491 1.569 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000543743458 306068632 /nfs/dbraw/zinc/06/86/32/306068632.db2.gz QUFSUGNPYLHNPH-INIZCTEOSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000548978480 306143003 /nfs/dbraw/zinc/14/30/03/306143003.db2.gz MEBDSNVENZIKNX-GWCFXTLKSA-N 2 1 349.859 1.297 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000550658244 306153562 /nfs/dbraw/zinc/15/35/62/306153562.db2.gz FSOVLRKLNCQSDW-QGZVFWFLSA-N 2 1 332.492 1.432 20 0 EDADMP C[C@@H](CNC(=O)N(C)CCC[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000557131465 306224768 /nfs/dbraw/zinc/22/47/68/306224768.db2.gz ZXGIDWFLHGXNRI-INIZCTEOSA-N 2 1 333.480 1.187 20 0 EDADMP COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000449452198 447373453 /nfs/dbraw/zinc/37/34/53/447373453.db2.gz KEEJNJPEQOBIBZ-GOSISDBHSA-N 2 1 344.415 1.587 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000414971068 447380509 /nfs/dbraw/zinc/38/05/09/447380509.db2.gz VTSOXQZYONDJQU-RDJZCZTQSA-N 2 1 344.459 1.287 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@](CO)(COC)C2)CC1 ZINC000449692692 447386362 /nfs/dbraw/zinc/38/63/62/447386362.db2.gz BEMWETASXGJVRD-HXUWFJFHSA-N 2 1 347.503 1.659 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccccc2NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000415112500 447389596 /nfs/dbraw/zinc/38/95/96/447389596.db2.gz VGHAEJBIRRFUCF-QGZVFWFLSA-N 2 1 330.476 1.762 20 0 EDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000657182837 453724017 /nfs/dbraw/zinc/72/40/17/453724017.db2.gz KYRIQXKEOUSZPQ-CQSZACIVSA-N 2 1 325.478 1.880 20 0 EDADMP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449933714 447414308 /nfs/dbraw/zinc/41/43/08/447414308.db2.gz DOJDNYNZIKYVKA-SFHVURJKSA-N 2 1 337.508 1.747 20 0 EDADMP CC[C@@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1CCOC ZINC000422236130 447417268 /nfs/dbraw/zinc/41/72/68/447417268.db2.gz HAJICYSMZJCDSB-AQFXKWCLSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCOC4(CCC4)C3)C2)CC1 ZINC000378330009 447419239 /nfs/dbraw/zinc/41/92/39/447419239.db2.gz PZBAOVMBNZXNCU-OAHLLOKOSA-N 2 1 336.480 1.119 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069936925 441093017 /nfs/dbraw/zinc/09/30/17/441093017.db2.gz YZXLQVRABFDIFQ-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000073034071 441287390 /nfs/dbraw/zinc/28/73/90/441287390.db2.gz GURFYCUISUEOLP-PKOBYXMFSA-N 2 1 344.503 1.576 20 0 EDADMP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)NC[C@@H]1CCCO1 ZINC000048562846 441312743 /nfs/dbraw/zinc/31/27/43/441312743.db2.gz OTGOLHMYTAZIQW-SFHVURJKSA-N 2 1 337.508 1.870 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000073881986 441365127 /nfs/dbraw/zinc/36/51/27/441365127.db2.gz QNOLGJISUWBTDO-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000074862143 441473711 /nfs/dbraw/zinc/47/37/11/441473711.db2.gz APYWMSAYDRVREM-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000074862140 441473813 /nfs/dbraw/zinc/47/38/13/441473813.db2.gz APYWMSAYDRVREM-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000074616580 441450410 /nfs/dbraw/zinc/45/04/10/441450410.db2.gz WPVNSUFDONMQEW-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP C[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000052589903 441463014 /nfs/dbraw/zinc/46/30/14/441463014.db2.gz QYBXMMALWDOUHW-SFHVURJKSA-N 2 1 330.476 1.651 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000052589903 441463018 /nfs/dbraw/zinc/46/30/18/441463018.db2.gz QYBXMMALWDOUHW-SFHVURJKSA-N 2 1 330.476 1.651 20 0 EDADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000074792459 441467314 /nfs/dbraw/zinc/46/73/14/441467314.db2.gz KQNZZSPYTYSKGF-ALOPSCKCSA-N 3 1 339.528 1.137 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030944462 441508168 /nfs/dbraw/zinc/50/81/68/441508168.db2.gz SLLJOVMREFFAMT-IBGZPJMESA-N 2 1 345.487 1.737 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030944462 441508171 /nfs/dbraw/zinc/50/81/71/441508171.db2.gz SLLJOVMREFFAMT-IBGZPJMESA-N 2 1 345.487 1.737 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000075956232 441569541 /nfs/dbraw/zinc/56/95/41/441569541.db2.gz HBBUKNMKUTZWBW-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000075956232 441569544 /nfs/dbraw/zinc/56/95/44/441569544.db2.gz HBBUKNMKUTZWBW-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000075956232 441569548 /nfs/dbraw/zinc/56/95/48/441569548.db2.gz HBBUKNMKUTZWBW-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)CC[C@@H]2C)C1 ZINC000076150023 441604331 /nfs/dbraw/zinc/60/43/31/441604331.db2.gz CZAPKEUITVQTKU-YESZJQIVSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2C)C1 ZINC000076150023 441604336 /nfs/dbraw/zinc/60/43/36/441604336.db2.gz CZAPKEUITVQTKU-YESZJQIVSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H](C)CC[C@@H]2C)C1 ZINC000076150023 441604339 /nfs/dbraw/zinc/60/43/39/441604339.db2.gz CZAPKEUITVQTKU-YESZJQIVSA-N 2 1 325.497 1.580 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000090582409 441636783 /nfs/dbraw/zinc/63/67/83/441636783.db2.gz SPKCGVHEKPPAIU-SGMGOOAPSA-N 2 1 345.534 1.653 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](CC2CC2)CC2CC2)C1 ZINC000115563199 441756970 /nfs/dbraw/zinc/75/69/70/441756970.db2.gz XFSOTCHDOVPJSV-GOSISDBHSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116397447 441816783 /nfs/dbraw/zinc/81/67/83/441816783.db2.gz OBKSMWUBLNNDFJ-KGLIPLIRSA-N 2 1 328.501 1.813 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H](Cc2nccn2C)C1)[N@@H+](C)C1CC1 ZINC000138949653 441801775 /nfs/dbraw/zinc/80/17/75/441801775.db2.gz JXSQLWYTMVIEGJ-HUUCEWRRSA-N 2 1 333.480 1.867 20 0 EDADMP C[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)N1CCN(C)CC1 ZINC000121989266 441824780 /nfs/dbraw/zinc/82/47/80/441824780.db2.gz RJYDLFRSGJAXOG-QGZVFWFLSA-N 2 1 332.492 1.261 20 0 EDADMP C[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000121989266 441824787 /nfs/dbraw/zinc/82/47/87/441824787.db2.gz RJYDLFRSGJAXOG-QGZVFWFLSA-N 2 1 332.492 1.261 20 0 EDADMP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068636320 441833277 /nfs/dbraw/zinc/83/32/77/441833277.db2.gz IXBAINXWSMRWDG-ZWKOTPCHSA-N 2 1 328.460 1.928 20 0 EDADMP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000068636320 441833283 /nfs/dbraw/zinc/83/32/83/441833283.db2.gz IXBAINXWSMRWDG-ZWKOTPCHSA-N 2 1 328.460 1.928 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174220634 441904860 /nfs/dbraw/zinc/90/48/60/441904860.db2.gz DLFCVZBEJVEBBF-WBVHZDCISA-N 2 1 333.480 1.955 20 0 EDADMP COCC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000124483350 441929978 /nfs/dbraw/zinc/92/99/78/441929978.db2.gz BSBPZHIWCCAIEH-YJBOKZPZSA-N 2 1 333.476 1.899 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccsc1 ZINC000174625825 441945177 /nfs/dbraw/zinc/94/51/77/441945177.db2.gz PORIMIOHMXBBNK-CABCVRRESA-N 2 1 325.478 1.578 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccsc1 ZINC000174625825 441945181 /nfs/dbraw/zinc/94/51/81/441945181.db2.gz PORIMIOHMXBBNK-CABCVRRESA-N 2 1 325.478 1.578 20 0 EDADMP Cc1ccc(N2CC[C@@H]([N@@H+](C)CCCN3CC[NH+](C)CC3)C2=O)cc1 ZINC000174722757 441958565 /nfs/dbraw/zinc/95/85/65/441958565.db2.gz UHFGMNKMNXIRST-LJQANCHMSA-N 2 1 344.503 1.670 20 0 EDADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729631 441961407 /nfs/dbraw/zinc/96/14/07/441961407.db2.gz JGSXHBDPOCDHNO-QGZVFWFLSA-N 2 1 326.529 1.449 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000069636697 441997917 /nfs/dbraw/zinc/99/79/17/441997917.db2.gz FHEIFESHMOHCHT-SFHVURJKSA-N 2 1 333.476 1.835 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000175552723 442083994 /nfs/dbraw/zinc/08/39/94/442083994.db2.gz NTABZCCLJWQWIG-HLLBOEOZSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000175552723 442083998 /nfs/dbraw/zinc/08/39/98/442083998.db2.gz NTABZCCLJWQWIG-HLLBOEOZSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000175552723 442084000 /nfs/dbraw/zinc/08/40/00/442084000.db2.gz NTABZCCLJWQWIG-HLLBOEOZSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000126323646 442099789 /nfs/dbraw/zinc/09/97/89/442099789.db2.gz LKXIBUZGVXLWEH-MAUKXSAKSA-N 2 1 336.480 1.119 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)c1 ZINC000120599749 442102158 /nfs/dbraw/zinc/10/21/58/442102158.db2.gz UTDIICQSWXTPKW-HZPDHXFCSA-N 2 1 343.475 1.847 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)CC2)c1 ZINC000120599749 442102162 /nfs/dbraw/zinc/10/21/62/442102162.db2.gz UTDIICQSWXTPKW-HZPDHXFCSA-N 2 1 343.475 1.847 20 0 EDADMP COCCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000127290566 442190523 /nfs/dbraw/zinc/19/05/23/442190523.db2.gz DXYGQLCRQUQOJR-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP COCCC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000127290566 442190529 /nfs/dbraw/zinc/19/05/29/442190529.db2.gz DXYGQLCRQUQOJR-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP COCCC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000127290566 442190534 /nfs/dbraw/zinc/19/05/34/442190534.db2.gz DXYGQLCRQUQOJR-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[NH+](C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000176216077 442192950 /nfs/dbraw/zinc/19/29/50/442192950.db2.gz FDSSUOAKVCVJEN-QGZVFWFLSA-N 2 1 347.507 1.400 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000175967598 442154742 /nfs/dbraw/zinc/15/47/42/442154742.db2.gz FUOKNWWUIRVYOR-SJORKVTESA-N 2 1 338.496 1.082 20 0 EDADMP CC(C)[NH2+]CCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000165838480 442211469 /nfs/dbraw/zinc/21/14/69/442211469.db2.gz UETXWDQBRPZKJV-UHFFFAOYSA-N 2 1 332.448 1.401 20 0 EDADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000128399221 442263853 /nfs/dbraw/zinc/26/38/53/442263853.db2.gz QOVJCYMVCKWUJM-RCCFBDPRSA-N 2 1 331.460 1.664 20 0 EDADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000128399221 442263856 /nfs/dbraw/zinc/26/38/56/442263856.db2.gz QOVJCYMVCKWUJM-RCCFBDPRSA-N 2 1 331.460 1.664 20 0 EDADMP CN(CC[N@H+](C)Cc1cc(=O)n2ccccc2n1)C1CC[NH+](C)CC1 ZINC000177382639 442334832 /nfs/dbraw/zinc/33/48/32/442334832.db2.gz DRFKRRNXAUDNCA-UHFFFAOYSA-N 2 1 343.475 1.152 20 0 EDADMP CN(CC[N@@H+](C)Cc1cc(=O)n2ccccc2n1)C1CC[NH+](C)CC1 ZINC000177382639 442334834 /nfs/dbraw/zinc/33/48/34/442334834.db2.gz DRFKRRNXAUDNCA-UHFFFAOYSA-N 2 1 343.475 1.152 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C[NH+](C)[C@@H]2CCSC2)C1 ZINC000154452520 442340359 /nfs/dbraw/zinc/34/03/59/442340359.db2.gz HXJMVHINUDNXNO-OWCLPIDISA-N 2 1 327.538 1.908 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000154452520 442340361 /nfs/dbraw/zinc/34/03/61/442340361.db2.gz HXJMVHINUDNXNO-OWCLPIDISA-N 2 1 327.538 1.908 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000154452520 442340364 /nfs/dbraw/zinc/34/03/64/442340364.db2.gz HXJMVHINUDNXNO-OWCLPIDISA-N 2 1 327.538 1.908 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C[C@@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000130384856 442345233 /nfs/dbraw/zinc/34/52/33/442345233.db2.gz MRARGKAXMKYRPG-FCEWJHQRSA-N 2 1 345.487 1.912 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccco2)[C@H](C)C1 ZINC000177800984 442386477 /nfs/dbraw/zinc/38/64/77/442386477.db2.gz OPALXYMZZDGGGK-NVXWUHKLSA-N 2 1 337.464 1.622 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccco2)[C@H](C)C1 ZINC000177800984 442386479 /nfs/dbraw/zinc/38/64/79/442386479.db2.gz OPALXYMZZDGGGK-NVXWUHKLSA-N 2 1 337.464 1.622 20 0 EDADMP Cc1nccn1CCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000155509900 442403458 /nfs/dbraw/zinc/40/34/58/442403458.db2.gz PJOSTGOBWQVOSE-KRWDZBQOSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000155509900 442403462 /nfs/dbraw/zinc/40/34/62/442403462.db2.gz PJOSTGOBWQVOSE-KRWDZBQOSA-N 2 1 334.464 1.731 20 0 EDADMP C[C@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CCSCC1 ZINC000130849524 442358380 /nfs/dbraw/zinc/35/83/80/442358380.db2.gz VOPCGKVJQVSHDK-QLFBSQMISA-N 2 1 329.510 1.039 20 0 EDADMP C[C@H](C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)N1CCSCC1 ZINC000130849524 442358383 /nfs/dbraw/zinc/35/83/83/442358383.db2.gz VOPCGKVJQVSHDK-QLFBSQMISA-N 2 1 329.510 1.039 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)COC ZINC000494612442 447448736 /nfs/dbraw/zinc/44/87/36/447448736.db2.gz NNZQCTAQQXREFU-MRXNPFEDSA-N 2 1 342.528 1.717 20 0 EDADMP O=C([C@@H]1CCC[NH2+]C1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000155681408 442418844 /nfs/dbraw/zinc/41/88/44/442418844.db2.gz MQXPSQVOUGYTPM-CYBMUJFWSA-N 2 1 337.386 1.099 20 0 EDADMP Cc1ccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)n1 ZINC000155937421 442437869 /nfs/dbraw/zinc/43/78/69/442437869.db2.gz IFHQRJBMQPFRNN-GOOCMWNKSA-N 2 1 330.432 1.768 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000178842439 442500997 /nfs/dbraw/zinc/50/09/97/442500997.db2.gz BWRHORUWDUFEHJ-JOQOYGCGSA-N 2 1 349.475 1.768 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000178842439 442500998 /nfs/dbraw/zinc/50/09/98/442500998.db2.gz BWRHORUWDUFEHJ-JOQOYGCGSA-N 2 1 349.475 1.768 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000178984524 442545090 /nfs/dbraw/zinc/54/50/90/442545090.db2.gz WSXCNFJTMAGUPE-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000178984524 442545096 /nfs/dbraw/zinc/54/50/96/442545096.db2.gz WSXCNFJTMAGUPE-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](C(N)=O)C2)CC1 ZINC000157137209 442553507 /nfs/dbraw/zinc/55/35/07/442553507.db2.gz ZENQTHRJBLVUAC-KRWDZBQOSA-N 2 1 330.476 1.526 20 0 EDADMP CC1(C)[C@@H]2C[N@@H+](CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@@H]21 ZINC000172950642 442572124 /nfs/dbraw/zinc/57/21/24/442572124.db2.gz OZHJTNAIJZTBFH-CALCHBBNSA-N 2 1 349.519 1.726 20 0 EDADMP CC1(C)[C@@H]2C[N@H+](CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@@H]21 ZINC000172950642 442572128 /nfs/dbraw/zinc/57/21/28/442572128.db2.gz OZHJTNAIJZTBFH-CALCHBBNSA-N 2 1 349.519 1.726 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)cc2F)CC1 ZINC000179155037 442584594 /nfs/dbraw/zinc/58/45/94/442584594.db2.gz XELABNZWAQRYQM-HUUCEWRRSA-N 2 1 348.466 1.790 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000187139743 442655285 /nfs/dbraw/zinc/65/52/85/442655285.db2.gz PUAPZJJDMBDWCO-INIZCTEOSA-N 2 1 348.491 1.047 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000187139743 442655288 /nfs/dbraw/zinc/65/52/88/442655288.db2.gz PUAPZJJDMBDWCO-INIZCTEOSA-N 2 1 348.491 1.047 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000187139743 442655292 /nfs/dbraw/zinc/65/52/92/442655292.db2.gz PUAPZJJDMBDWCO-INIZCTEOSA-N 2 1 348.491 1.047 20 0 EDADMP C[NH+](C)CCOc1cc(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)ccn1 ZINC000135641696 442621334 /nfs/dbraw/zinc/62/13/34/442621334.db2.gz JXEFFVWDWBYCAM-MRXNPFEDSA-N 2 1 349.479 1.163 20 0 EDADMP COCC[N@@H+](C)CCCNc1cc(N2CCSCC2)ncn1 ZINC000192277878 442625341 /nfs/dbraw/zinc/62/53/41/442625341.db2.gz HIJKGOCNAPWCBM-UHFFFAOYSA-N 2 1 325.482 1.410 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000192850682 442692714 /nfs/dbraw/zinc/69/27/14/442692714.db2.gz WGWCBXVSVUVHSJ-KDURUIRLSA-N 2 1 340.556 1.444 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC2)cn1 ZINC000182113609 442736985 /nfs/dbraw/zinc/73/69/85/442736985.db2.gz LTUTUBYLFTZFQO-DOTOQJQBSA-N 2 1 335.496 1.701 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC2)cn1 ZINC000182113609 442736987 /nfs/dbraw/zinc/73/69/87/442736987.db2.gz LTUTUBYLFTZFQO-DOTOQJQBSA-N 2 1 335.496 1.701 20 0 EDADMP CC(C)NC(=O)CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188323081 442739348 /nfs/dbraw/zinc/73/93/48/442739348.db2.gz BMEQJZXHXZBPMW-IBGZPJMESA-N 2 1 333.476 1.470 20 0 EDADMP CC(C)NC(=O)CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188323081 442739349 /nfs/dbraw/zinc/73/93/49/442739349.db2.gz BMEQJZXHXZBPMW-IBGZPJMESA-N 2 1 333.476 1.470 20 0 EDADMP CC(C)NC(=O)CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188323081 442739350 /nfs/dbraw/zinc/73/93/50/442739350.db2.gz BMEQJZXHXZBPMW-IBGZPJMESA-N 2 1 333.476 1.470 20 0 EDADMP CC(C)NC(=O)CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188323081 442739351 /nfs/dbraw/zinc/73/93/51/442739351.db2.gz BMEQJZXHXZBPMW-IBGZPJMESA-N 2 1 333.476 1.470 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCC[NH+]1CCCCC1 ZINC000182243640 442749023 /nfs/dbraw/zinc/74/90/23/442749023.db2.gz SRZAORJMOSLONL-UHFFFAOYSA-N 2 1 339.528 1.141 20 0 EDADMP C[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000181698128 442711062 /nfs/dbraw/zinc/71/10/62/442711062.db2.gz USPQFAQWNICWBM-GOSISDBHSA-N 2 1 331.460 1.349 20 0 EDADMP C[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000181698128 442711065 /nfs/dbraw/zinc/71/10/65/442711065.db2.gz USPQFAQWNICWBM-GOSISDBHSA-N 2 1 331.460 1.349 20 0 EDADMP C[NH+](CC1(C[N@H+](C)CC2(O)CCCC2)COC1)CC1(O)CCCC1 ZINC000182360274 442760221 /nfs/dbraw/zinc/76/02/21/442760221.db2.gz SGLKIOFVZQOCGJ-UHFFFAOYSA-N 2 1 340.508 1.477 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000193706703 442770530 /nfs/dbraw/zinc/77/05/30/442770530.db2.gz FAMRNRFULVKLEV-HNNXBMFYSA-N 2 1 349.479 1.243 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000246372894 442776302 /nfs/dbraw/zinc/77/63/02/442776302.db2.gz GQKDKGXWXSSVRC-HZPDHXFCSA-N 2 1 328.501 1.326 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N2CC[NH+]3CCC2CC3)c2ccccc2)CC1 ZINC000188642165 442777892 /nfs/dbraw/zinc/77/78/92/442777892.db2.gz NLJTUWBZXQQLJG-LJQANCHMSA-N 2 1 342.487 1.282 20 0 EDADMP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000246385857 442777922 /nfs/dbraw/zinc/77/79/22/442777922.db2.gz SACVDSRUCZLPMZ-DLBZAZTESA-N 2 1 343.537 1.608 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000265655820 442865610 /nfs/dbraw/zinc/86/56/10/442865610.db2.gz YNYJOZSGRCJKCH-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000265655820 442865614 /nfs/dbraw/zinc/86/56/14/442865614.db2.gz YNYJOZSGRCJKCH-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000265655820 442865618 /nfs/dbraw/zinc/86/56/18/442865618.db2.gz YNYJOZSGRCJKCH-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182959521 442854755 /nfs/dbraw/zinc/85/47/55/442854755.db2.gz BHPGFOKNXIVEIG-IBGZPJMESA-N 2 1 349.519 1.612 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248620206 442908630 /nfs/dbraw/zinc/90/86/30/442908630.db2.gz ZZFRILUEBGAUMQ-XYJFISCASA-N 2 1 340.508 1.786 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194845641 442961080 /nfs/dbraw/zinc/96/10/80/442961080.db2.gz CXSLWIDFKIMXON-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194845641 442961082 /nfs/dbraw/zinc/96/10/82/442961082.db2.gz CXSLWIDFKIMXON-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1[NH+](C)C ZINC000266150188 443035587 /nfs/dbraw/zinc/03/55/87/443035587.db2.gz GZVUABPZYKGXFG-BHIYHBOVSA-N 2 1 344.503 1.384 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000268749790 443096582 /nfs/dbraw/zinc/09/65/82/443096582.db2.gz BWFZKCAYWLGIAI-IAOVAPTHSA-N 2 1 337.489 1.872 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CC1(O)CCCC1)c1ccccc1 ZINC000184989504 443112684 /nfs/dbraw/zinc/11/26/84/443112684.db2.gz JIZDMJBTROIIPL-KRWDZBQOSA-N 2 1 333.476 1.642 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000266592143 443179572 /nfs/dbraw/zinc/17/95/72/443179572.db2.gz YUEUPAORXVEROA-UHFFFAOYSA-N 2 1 337.468 1.460 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000266592143 443179577 /nfs/dbraw/zinc/17/95/77/443179577.db2.gz YUEUPAORXVEROA-UHFFFAOYSA-N 2 1 337.468 1.460 20 0 EDADMP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c(OC)c1 ZINC000262051414 443181171 /nfs/dbraw/zinc/18/11/71/443181171.db2.gz ZSKWWTJEXOAJPJ-KSZLIROESA-N 2 1 334.460 1.993 20 0 EDADMP c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)nc1 ZINC000262052733 443181750 /nfs/dbraw/zinc/18/17/50/443181750.db2.gz ZVPZYOBPODESIY-KURKYZTESA-N 2 1 330.476 1.797 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000324827406 318944272 /nfs/dbraw/zinc/94/42/72/318944272.db2.gz BGCUUFTXOIUKDL-PMACEKPBSA-N 2 1 325.456 1.740 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000350920425 319079711 /nfs/dbraw/zinc/07/97/11/319079711.db2.gz DKCZYOXTCKOWQU-KBPBESRZSA-N 2 1 349.479 1.538 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)C1 ZINC000413904479 319300124 /nfs/dbraw/zinc/30/01/24/319300124.db2.gz TXSHXYYRTWVXSP-MRXNPFEDSA-N 2 1 339.411 1.425 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)C1 ZINC000413904479 319300126 /nfs/dbraw/zinc/30/01/26/319300126.db2.gz TXSHXYYRTWVXSP-MRXNPFEDSA-N 2 1 339.411 1.425 20 0 EDADMP Cc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1C(F)(F)F ZINC000414660649 319337822 /nfs/dbraw/zinc/33/78/22/319337822.db2.gz VVPPGIVFMDLPCU-UHFFFAOYSA-N 2 1 329.366 1.877 20 0 EDADMP Cc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1C(F)(F)F ZINC000414660649 319337824 /nfs/dbraw/zinc/33/78/24/319337824.db2.gz VVPPGIVFMDLPCU-UHFFFAOYSA-N 2 1 329.366 1.877 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1 ZINC000415198112 319349655 /nfs/dbraw/zinc/34/96/55/319349655.db2.gz ULHUYADQXQNKHX-UHFFFAOYSA-N 2 1 346.475 1.583 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)c2C1 ZINC000415831708 319375518 /nfs/dbraw/zinc/37/55/18/319375518.db2.gz PCAZOXLPYZVUIL-DOMZBBRYSA-N 2 1 330.432 1.156 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)c2C1 ZINC000415831708 319375521 /nfs/dbraw/zinc/37/55/21/319375521.db2.gz PCAZOXLPYZVUIL-DOMZBBRYSA-N 2 1 330.432 1.156 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000415904583 319383253 /nfs/dbraw/zinc/38/32/53/319383253.db2.gz GMXLRTHHISEHTF-HUUCEWRRSA-N 2 1 334.464 1.715 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415970183 319386148 /nfs/dbraw/zinc/38/61/48/319386148.db2.gz FHDVRAKABJVVDO-HNNXBMFYSA-N 2 1 333.480 1.540 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000415973753 319386670 /nfs/dbraw/zinc/38/66/70/319386670.db2.gz KCEDZCVTVIPHNN-RDJZCZTQSA-N 2 1 332.448 1.720 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)C[C@@H](C)O1 ZINC000246160742 443274051 /nfs/dbraw/zinc/27/40/51/443274051.db2.gz DYDLIOZAVFXTEO-YLFCFFPRSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000416914551 319473048 /nfs/dbraw/zinc/47/30/48/319473048.db2.gz GAXGWIHGOCBOJC-QPSCCSFWSA-N 2 1 326.485 1.266 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000416917876 319474007 /nfs/dbraw/zinc/47/40/07/319474007.db2.gz JQGUUDXHFQWHNP-JYJNAYRXSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272466545 443327674 /nfs/dbraw/zinc/32/76/74/443327674.db2.gz KWZDZZSAIUICFB-GDBMZVCRSA-N 2 1 325.478 1.036 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000272493350 443338764 /nfs/dbraw/zinc/33/87/64/443338764.db2.gz UIKYYYKEFBPZCN-MAUKXSAKSA-N 2 1 333.480 1.226 20 0 EDADMP Cc1ccn2cc(CNC(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)nc2c1 ZINC000272498388 443340602 /nfs/dbraw/zinc/34/06/02/443340602.db2.gz VIBDJKHZNFLACW-GDBMZVCRSA-N 2 1 327.432 1.878 20 0 EDADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC000282603254 443386993 /nfs/dbraw/zinc/38/69/93/443386993.db2.gz YFQGHJUFMZJZOZ-INIZCTEOSA-N 2 1 339.505 1.426 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC000282603254 443386996 /nfs/dbraw/zinc/38/69/96/443386996.db2.gz YFQGHJUFMZJZOZ-INIZCTEOSA-N 2 1 339.505 1.426 20 0 EDADMP [NH3+]CCCN1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000420383631 319613328 /nfs/dbraw/zinc/61/33/28/319613328.db2.gz ZSVKMLFZLQIHKC-SFHVURJKSA-N 2 1 330.476 1.144 20 0 EDADMP C[NH+](C)CCCOc1ccc(CNC(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000264912803 443474749 /nfs/dbraw/zinc/47/47/49/443474749.db2.gz XMNYNRAKQCYRBL-UHFFFAOYSA-N 2 1 348.491 1.911 20 0 EDADMP O=C(CCn1ccnc1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000272887514 443479686 /nfs/dbraw/zinc/47/96/86/443479686.db2.gz ZQPCZJCUGUOEMP-GOSISDBHSA-N 2 1 342.443 1.546 20 0 EDADMP NC(=O)NC(=O)CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278854376 443462365 /nfs/dbraw/zinc/46/23/65/443462365.db2.gz KMBKJSVTMVXUNW-UHFFFAOYSA-N 2 1 333.436 1.374 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000272285092 443579148 /nfs/dbraw/zinc/57/91/48/443579148.db2.gz DMCGTCDOJUVFGF-LJQANCHMSA-N 2 1 346.475 1.208 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000265140265 443547139 /nfs/dbraw/zinc/54/71/39/443547139.db2.gz VKPWNIHFZKFLSB-AEFFLSMTSA-N 2 1 332.492 1.432 20 0 EDADMP C[NH+](C)CCOc1cc(CNC(=O)NCC[N@@H+]2CC=CCC2)ccn1 ZINC000279556605 443605269 /nfs/dbraw/zinc/60/52/69/443605269.db2.gz AYTFQVIQMQYHNT-UHFFFAOYSA-N 2 1 347.463 1.083 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C[N@H+]1C1CC1 ZINC000441055293 320087046 /nfs/dbraw/zinc/08/70/46/320087046.db2.gz ZDJWDODGOYKDEV-DVOMOZLQSA-N 2 1 326.510 1.348 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000447446443 320142538 /nfs/dbraw/zinc/14/25/38/320142538.db2.gz HSUPJTWSHYWODY-JKIFEVAISA-N 2 1 335.448 1.598 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000447446443 320142540 /nfs/dbraw/zinc/14/25/40/320142540.db2.gz HSUPJTWSHYWODY-JKIFEVAISA-N 2 1 335.448 1.598 20 0 EDADMP COCC(C)(C)C[N@H+]1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000449494956 320192684 /nfs/dbraw/zinc/19/26/84/320192684.db2.gz HKMJALRLSXSIIF-GOSISDBHSA-N 2 1 339.524 1.925 20 0 EDADMP COCC(C)(C)C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449494956 320192685 /nfs/dbraw/zinc/19/26/85/320192685.db2.gz HKMJALRLSXSIIF-GOSISDBHSA-N 2 1 339.524 1.925 20 0 EDADMP COCC(C)(C)C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449494956 320192687 /nfs/dbraw/zinc/19/26/87/320192687.db2.gz HKMJALRLSXSIIF-GOSISDBHSA-N 2 1 339.524 1.925 20 0 EDADMP COCC(C)(C)C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449494956 320192689 /nfs/dbraw/zinc/19/26/89/320192689.db2.gz HKMJALRLSXSIIF-GOSISDBHSA-N 2 1 339.524 1.925 20 0 EDADMP COCC(C)(C)C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449494956 320192691 /nfs/dbraw/zinc/19/26/91/320192691.db2.gz HKMJALRLSXSIIF-GOSISDBHSA-N 2 1 339.524 1.925 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC3C[NH+](C(C)C)C3)cc2)CC1 ZINC000457720419 320333345 /nfs/dbraw/zinc/33/33/45/320333345.db2.gz LLGUWEDGJMYZHB-UHFFFAOYSA-N 2 1 330.476 1.651 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000458835167 320342741 /nfs/dbraw/zinc/34/27/41/320342741.db2.gz CLHWYAMSSUDIAL-UHFFFAOYSA-N 2 1 338.496 1.226 20 0 EDADMP C[C@H](C[N@@H+](C)CCC(=O)N1CCN(C)CC1)C(=O)OC(C)(C)C ZINC000459820838 320350299 /nfs/dbraw/zinc/35/02/99/320350299.db2.gz FIWYMZZLSPJZOW-CQSZACIVSA-N 2 1 327.469 1.060 20 0 EDADMP C[C@H](C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000459820838 320350300 /nfs/dbraw/zinc/35/03/00/320350300.db2.gz FIWYMZZLSPJZOW-CQSZACIVSA-N 2 1 327.469 1.060 20 0 EDADMP C[C@H](C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000459820838 320350301 /nfs/dbraw/zinc/35/03/01/320350301.db2.gz FIWYMZZLSPJZOW-CQSZACIVSA-N 2 1 327.469 1.060 20 0 EDADMP CC(C)[C@@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@@H+]1C ZINC000488546915 320358574 /nfs/dbraw/zinc/35/85/74/320358574.db2.gz RFXHQWGVLCEINC-KRWDZBQOSA-N 2 1 332.496 1.000 20 0 EDADMP CC(C)[C@@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@H+]1C ZINC000488546915 320358575 /nfs/dbraw/zinc/35/85/75/320358575.db2.gz RFXHQWGVLCEINC-KRWDZBQOSA-N 2 1 332.496 1.000 20 0 EDADMP COCC[N@H+](CCCc1ccccc1)CCC(=O)N1CC[NH+](C)CC1 ZINC000283701808 443693830 /nfs/dbraw/zinc/69/38/30/443693830.db2.gz YKRNPBRPOSEPLG-UHFFFAOYSA-N 2 1 347.503 1.732 20 0 EDADMP COCC[N@@H+](CCCc1ccccc1)CCC(=O)N1CC[NH+](C)CC1 ZINC000283701808 443693832 /nfs/dbraw/zinc/69/38/32/443693832.db2.gz YKRNPBRPOSEPLG-UHFFFAOYSA-N 2 1 347.503 1.732 20 0 EDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000298359599 443753637 /nfs/dbraw/zinc/75/36/37/443753637.db2.gz KBRDWKHSMWPKFS-AWEZNQCLSA-N 2 1 342.443 1.971 20 0 EDADMP C[NH+]1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000298672811 443834233 /nfs/dbraw/zinc/83/42/33/443834233.db2.gz SKJQPQFTCJHYRZ-UHFFFAOYSA-N 2 1 330.476 1.651 20 0 EDADMP COCCc1ccc(OC[C@@H](O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000293590779 444063280 /nfs/dbraw/zinc/06/32/80/444063280.db2.gz OJFOUMICLABAFI-ICSRJNTNSA-N 2 1 348.487 1.643 20 0 EDADMP COCCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000293590779 444063283 /nfs/dbraw/zinc/06/32/83/444063283.db2.gz OJFOUMICLABAFI-ICSRJNTNSA-N 2 1 348.487 1.643 20 0 EDADMP COCCc1ccc(OC[C@@H](O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000293590779 444063293 /nfs/dbraw/zinc/06/32/93/444063293.db2.gz OJFOUMICLABAFI-ICSRJNTNSA-N 2 1 348.487 1.643 20 0 EDADMP C[C@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000564308531 321127032 /nfs/dbraw/zinc/12/70/32/321127032.db2.gz AHIZCVKNDQXPIP-GOEBONIOSA-N 2 1 334.464 1.312 20 0 EDADMP C[C@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000564308531 321127034 /nfs/dbraw/zinc/12/70/34/321127034.db2.gz AHIZCVKNDQXPIP-GOEBONIOSA-N 2 1 334.464 1.312 20 0 EDADMP C[N@@H+](C[C@H](O)CNCc1cccc(NC(=O)[C@@H]2CCCO2)c1)C1CC1 ZINC000564444313 321131881 /nfs/dbraw/zinc/13/18/81/321131881.db2.gz NTKIYYJCFFOLIB-MSOLQXFVSA-N 2 1 347.459 1.349 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)C1 ZINC000564929306 321158198 /nfs/dbraw/zinc/15/81/98/321158198.db2.gz NKLXXWOWXUKELJ-DFEHZGFQSA-N 2 1 347.459 1.611 20 0 EDADMP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000565233463 321177422 /nfs/dbraw/zinc/17/74/22/321177422.db2.gz MHLDMOPUMCYRNW-FUHWJXTLSA-N 2 1 339.443 1.139 20 0 EDADMP NC(=O)NC(=O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285755185 444097415 /nfs/dbraw/zinc/09/74/15/444097415.db2.gz YZQVSAPDLSUXMW-SFHVURJKSA-N 2 1 330.432 1.169 20 0 EDADMP NC(=O)NC(=O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285755185 444097419 /nfs/dbraw/zinc/09/74/19/444097419.db2.gz YZQVSAPDLSUXMW-SFHVURJKSA-N 2 1 330.432 1.169 20 0 EDADMP NC(=O)NC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285755185 444097425 /nfs/dbraw/zinc/09/74/25/444097425.db2.gz YZQVSAPDLSUXMW-SFHVURJKSA-N 2 1 330.432 1.169 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CCC1CCN(CC(F)(F)F)CC1)C1CC1 ZINC000566111115 321216509 /nfs/dbraw/zinc/21/65/09/321216509.db2.gz YEWXBCCSALIKPO-OAHLLOKOSA-N 2 1 337.430 1.696 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CCC1CCN(CC(F)(F)F)CC1)C1CC1 ZINC000566111115 321216510 /nfs/dbraw/zinc/21/65/10/321216510.db2.gz YEWXBCCSALIKPO-OAHLLOKOSA-N 2 1 337.430 1.696 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000568231762 321283740 /nfs/dbraw/zinc/28/37/40/321283740.db2.gz JNQOWQKVBCDAQX-LMSBXDPUSA-N 2 1 330.476 1.947 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000569928141 321332197 /nfs/dbraw/zinc/33/21/97/321332197.db2.gz YMJVHDNLFHSMJR-CVEARBPZSA-N 2 1 342.867 1.516 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)COc1ccc(Cl)cc1 ZINC000569928142 321332331 /nfs/dbraw/zinc/33/23/31/321332331.db2.gz YMJVHDNLFHSMJR-HZPDHXFCSA-N 2 1 342.867 1.516 20 0 EDADMP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc2c(c1)C[NH2+]C2 ZINC000569967199 321332358 /nfs/dbraw/zinc/33/23/58/321332358.db2.gz OBCMVICLMFNOPY-ZWKOTPCHSA-N 2 1 329.444 1.663 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000570815187 321359866 /nfs/dbraw/zinc/35/98/66/321359866.db2.gz FJQCNFFMUZCVFR-QXRTWZOPSA-N 2 1 328.460 1.666 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000571031742 321368533 /nfs/dbraw/zinc/36/85/33/321368533.db2.gz WSJJCGNOIKIIEX-DQIHPLBOSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000571031742 321368534 /nfs/dbraw/zinc/36/85/34/321368534.db2.gz WSJJCGNOIKIIEX-DQIHPLBOSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000571031742 321368536 /nfs/dbraw/zinc/36/85/36/321368536.db2.gz WSJJCGNOIKIIEX-DQIHPLBOSA-N 2 1 338.496 1.098 20 0 EDADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC000289417401 444136924 /nfs/dbraw/zinc/13/69/24/444136924.db2.gz MIXRSFKNTOIVCM-KRWDZBQOSA-N 2 1 330.476 1.902 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC000289417401 444136927 /nfs/dbraw/zinc/13/69/27/444136927.db2.gz MIXRSFKNTOIVCM-KRWDZBQOSA-N 2 1 330.476 1.902 20 0 EDADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000289416870 444137232 /nfs/dbraw/zinc/13/72/32/444137232.db2.gz UHCZCBAZKXCTPW-GJZGRUSLSA-N 2 1 334.464 1.858 20 0 EDADMP CCN(CC)C(=O)[C@H](C)N1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000289416870 444137234 /nfs/dbraw/zinc/13/72/34/444137234.db2.gz UHCZCBAZKXCTPW-GJZGRUSLSA-N 2 1 334.464 1.858 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)C[NH+](C)C1CC1 ZINC000289554357 444171104 /nfs/dbraw/zinc/17/11/04/444171104.db2.gz PAWPBUPIBNZYRV-NSISKUIASA-N 2 1 331.504 1.942 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000289554357 444171107 /nfs/dbraw/zinc/17/11/07/444171107.db2.gz PAWPBUPIBNZYRV-NSISKUIASA-N 2 1 331.504 1.942 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289554357 444171109 /nfs/dbraw/zinc/17/11/09/444171109.db2.gz PAWPBUPIBNZYRV-NSISKUIASA-N 2 1 331.504 1.942 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CCN(C=O)CC2)CC1 ZINC000278355310 444144912 /nfs/dbraw/zinc/14/49/12/444144912.db2.gz ZWVDEXSMWWWNLK-UHFFFAOYSA-N 2 1 344.503 1.535 20 0 EDADMP C[NH+](C)C1CCN(c2ccc(NC(=O)CC(F)(F)C[NH3+])nc2)CC1 ZINC000574461167 321485148 /nfs/dbraw/zinc/48/51/48/321485148.db2.gz DNOBLDGRZVNXOW-UHFFFAOYSA-N 2 1 341.406 1.535 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn2cccnc12 ZINC000299729433 444125947 /nfs/dbraw/zinc/12/59/47/444125947.db2.gz VXIOCXKJKDMAAT-OAHLLOKOSA-N 2 1 344.463 1.217 20 0 EDADMP C[C@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1 ZINC000301799720 444191025 /nfs/dbraw/zinc/19/10/25/444191025.db2.gz VEYHULDTENHOLP-RDJZCZTQSA-N 2 1 345.491 1.891 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000305116334 444258937 /nfs/dbraw/zinc/25/89/37/444258937.db2.gz AOVXXPZNELUHAM-XHSDSOJGSA-N 2 1 339.480 1.839 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000305116334 444258940 /nfs/dbraw/zinc/25/89/40/444258940.db2.gz AOVXXPZNELUHAM-XHSDSOJGSA-N 2 1 339.480 1.839 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297599483 444306926 /nfs/dbraw/zinc/30/69/26/444306926.db2.gz SEMFDQOUMWCQIE-UHFFFAOYSA-N 2 1 346.479 1.359 20 0 EDADMP CN(CCCN(C)C(=O)NCc1ccc2c[nH+]cn2c1)CC[NH+](C)C ZINC000297599483 444306928 /nfs/dbraw/zinc/30/69/28/444306928.db2.gz SEMFDQOUMWCQIE-UHFFFAOYSA-N 2 1 346.479 1.359 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297173087 444277460 /nfs/dbraw/zinc/27/74/60/444277460.db2.gz JYHARVYSCQSQRC-ZDUSSCGKSA-N 2 1 326.404 1.975 20 0 EDADMP C[NH+](C)C[C@](C)(O)CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000305832997 444282698 /nfs/dbraw/zinc/28/26/98/444282698.db2.gz FBJJRIIFFGGYGU-MTQWCTHYSA-N 2 1 331.504 1.799 20 0 EDADMP CC[C@@H]1CN(C(=O)NCc2ccc3c[nH+]cn3c2)CC[N@H+]1C[C@@H](C)O ZINC000297569642 444302799 /nfs/dbraw/zinc/30/27/99/444302799.db2.gz QLVNRMOIPBVAML-GDBMZVCRSA-N 2 1 345.447 1.321 20 0 EDADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[NH+](C)C ZINC000298131652 444425588 /nfs/dbraw/zinc/42/55/88/444425588.db2.gz BMAGLGIAXYSWSU-RCCFBDPRSA-N 2 1 333.476 1.326 20 0 EDADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000580066167 322004605 /nfs/dbraw/zinc/00/46/05/322004605.db2.gz QNWUVAHHTOTXFQ-GOSISDBHSA-N 2 1 349.519 1.659 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000580633040 322076054 /nfs/dbraw/zinc/07/60/54/322076054.db2.gz XNIWMBYUWNZUEB-SFHVURJKSA-N 2 1 339.528 1.091 20 0 EDADMP C[C@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)N1CC[NH+](C)CC1 ZINC000338054679 444501375 /nfs/dbraw/zinc/50/13/75/444501375.db2.gz LWJDTZYVXCRDHI-QGZVFWFLSA-N 2 1 336.524 1.347 20 0 EDADMP [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000580881828 322107095 /nfs/dbraw/zinc/10/70/95/322107095.db2.gz CGNDIRJOUFJEJM-QZTJIDSGSA-N 2 1 346.475 1.410 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581246266 322154192 /nfs/dbraw/zinc/15/41/92/322154192.db2.gz OCBWMYQWOBOMRE-BDPHEOEISA-N 2 1 341.540 1.413 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581246266 322154194 /nfs/dbraw/zinc/15/41/94/322154194.db2.gz OCBWMYQWOBOMRE-BDPHEOEISA-N 2 1 341.540 1.413 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581246266 322154197 /nfs/dbraw/zinc/15/41/97/322154197.db2.gz OCBWMYQWOBOMRE-BDPHEOEISA-N 2 1 341.540 1.413 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343771036 444579437 /nfs/dbraw/zinc/57/94/37/444579437.db2.gz NZRCTBFAUOSFSK-UYTSQGDYSA-N 2 1 344.459 1.424 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@H]1CCSC1 ZINC000343721932 444545231 /nfs/dbraw/zinc/54/52/31/444545231.db2.gz XIVLUPZNSRBDKU-HOTGVXAUSA-N 2 1 325.522 1.901 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000341169225 444708093 /nfs/dbraw/zinc/70/80/93/444708093.db2.gz QREYMLLOIXTBLE-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000341169225 444708095 /nfs/dbraw/zinc/70/80/95/444708095.db2.gz QREYMLLOIXTBLE-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000341169225 444708099 /nfs/dbraw/zinc/70/80/99/444708099.db2.gz QREYMLLOIXTBLE-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000333948066 444726854 /nfs/dbraw/zinc/72/68/54/444726854.db2.gz WAYBPHUUWMLVKR-SFHVURJKSA-N 2 1 349.454 1.389 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)C[C@H]1C ZINC000344012327 444727094 /nfs/dbraw/zinc/72/70/94/444727094.db2.gz NPYBUYISJACRPX-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)C[C@H]1C ZINC000344012327 444727098 /nfs/dbraw/zinc/72/70/98/444727098.db2.gz NPYBUYISJACRPX-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCN4CCOCC4)C[C@H]3C2)cc1 ZINC000336701116 444794540 /nfs/dbraw/zinc/79/45/40/444794540.db2.gz JUZJEHWWXMPVNL-VQTJNVASSA-N 2 1 329.488 1.773 20 0 EDADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCN4CCOCC4)C[C@H]3C2)cc1 ZINC000336701116 444794542 /nfs/dbraw/zinc/79/45/42/444794542.db2.gz JUZJEHWWXMPVNL-VQTJNVASSA-N 2 1 329.488 1.773 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCN4CCOCC4)C[C@H]3C2)cc1 ZINC000336701116 444794547 /nfs/dbraw/zinc/79/45/47/444794547.db2.gz JUZJEHWWXMPVNL-VQTJNVASSA-N 2 1 329.488 1.773 20 0 EDADMP CO[C@@H](C)c1noc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000336872880 444818227 /nfs/dbraw/zinc/81/82/27/444818227.db2.gz RBYDKCRDGGVQMC-STQMWFEESA-N 2 1 326.441 1.302 20 0 EDADMP CO[C@@H](C)c1noc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000336872880 444818233 /nfs/dbraw/zinc/81/82/33/444818233.db2.gz RBYDKCRDGGVQMC-STQMWFEESA-N 2 1 326.441 1.302 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342728795 444837850 /nfs/dbraw/zinc/83/78/50/444837850.db2.gz KSIMIWCKALDLIB-COZGXFGHSA-N 2 1 337.508 1.706 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342728795 444837853 /nfs/dbraw/zinc/83/78/53/444837853.db2.gz KSIMIWCKALDLIB-COZGXFGHSA-N 2 1 337.508 1.706 20 0 EDADMP C[C@H]1C[C@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000344205315 444838492 /nfs/dbraw/zinc/83/84/92/444838492.db2.gz RCLAOKAEXISRIP-QFBILLFUSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1C[C@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000344205315 444838497 /nfs/dbraw/zinc/83/84/97/444838497.db2.gz RCLAOKAEXISRIP-QFBILLFUSA-N 2 1 345.487 1.865 20 0 EDADMP CC(C)[C@H](C(=O)NCCNc1cc[nH+]cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000342772454 444860186 /nfs/dbraw/zinc/86/01/86/444860186.db2.gz AAFIKPRJXODTDF-BFYDXBDKSA-N 2 1 334.464 1.165 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000344293754 444884574 /nfs/dbraw/zinc/88/45/74/444884574.db2.gz PECNRWXFFOXDMZ-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000342886714 444918841 /nfs/dbraw/zinc/91/88/41/444918841.db2.gz XVIULSKBOVHNOW-IRXDYDNUSA-N 2 1 337.508 1.583 20 0 EDADMP CC(C)[NH+]1CCN(CCCN2CCC([N@H+](C)C[C@H](C)O)CC2)CC1 ZINC000337320303 445032621 /nfs/dbraw/zinc/03/26/21/445032621.db2.gz AXLJKKNIHDGCDD-SFHVURJKSA-N 2 1 340.556 1.180 20 0 EDADMP CC(C)[NH+]1CCN(CCC[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)CC1 ZINC000337320303 445032627 /nfs/dbraw/zinc/03/26/27/445032627.db2.gz AXLJKKNIHDGCDD-SFHVURJKSA-N 3 1 340.556 1.180 20 0 EDADMP CC(C)[NH+]1CCN(CCC[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)CC1 ZINC000337320303 445032632 /nfs/dbraw/zinc/03/26/32/445032632.db2.gz AXLJKKNIHDGCDD-SFHVURJKSA-N 3 1 340.556 1.180 20 0 EDADMP C[C@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)CCN1C1CC[NH+](C)CC1 ZINC000339061302 445014224 /nfs/dbraw/zinc/01/42/24/445014224.db2.gz HMUKWPXXGNMFPT-JXFKEZNVSA-N 2 1 349.494 1.829 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCn3cc(C)cn3)CC2)CC1 ZINC000341879194 445049471 /nfs/dbraw/zinc/04/94/71/445049471.db2.gz AWWDNVMBXAIAJG-UHFFFAOYSA-N 2 1 347.507 1.458 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000344567405 445065337 /nfs/dbraw/zinc/06/53/37/445065337.db2.gz DFXQJVCUBCVFNK-IAGOWNOFSA-N 2 1 325.497 1.580 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000344567405 445065339 /nfs/dbraw/zinc/06/53/39/445065339.db2.gz DFXQJVCUBCVFNK-IAGOWNOFSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+](CC)CC ZINC000337342518 445039316 /nfs/dbraw/zinc/03/93/16/445039316.db2.gz WCZABQLNAIERQW-MRXNPFEDSA-N 2 1 327.513 1.924 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000343139321 445090164 /nfs/dbraw/zinc/09/01/64/445090164.db2.gz GCJQWIJUEOJGRH-UHFFFAOYSA-N 2 1 335.496 1.480 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCN2CCOC(C)(C)C2)CC1 ZINC000337481301 445099634 /nfs/dbraw/zinc/09/96/34/445099634.db2.gz VZUTUKYBRHWMMR-UHFFFAOYSA-N 2 1 340.556 1.445 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000343174480 445115049 /nfs/dbraw/zinc/11/50/49/445115049.db2.gz MNSAGNCMSBIMQD-PMPSAXMXSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000343174480 445115053 /nfs/dbraw/zinc/11/50/53/445115053.db2.gz MNSAGNCMSBIMQD-PMPSAXMXSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000343174480 445115055 /nfs/dbraw/zinc/11/50/55/445115055.db2.gz MNSAGNCMSBIMQD-PMPSAXMXSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000339618198 445153477 /nfs/dbraw/zinc/15/34/77/445153477.db2.gz TUKBYMPUTDRBPZ-HYVNUMGLSA-N 2 1 346.475 1.004 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000343313876 445194741 /nfs/dbraw/zinc/19/47/41/445194741.db2.gz KVRQGVWPWOKZMS-OKZBNKHCSA-N 2 1 325.497 1.282 20 0 EDADMP C[C@@H]([NH2+]CCNc1cnccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348099171 445268010 /nfs/dbraw/zinc/26/80/10/445268010.db2.gz WFOPQRAZIZQBPG-SJLPKXTDSA-N 2 1 325.460 2.389 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)CC1 ZINC000343549863 445242370 /nfs/dbraw/zinc/24/23/70/445242370.db2.gz MBHPZYPXSGKQIG-LPHOPBHVSA-N 2 1 345.487 1.876 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1nccn1C ZINC000348115366 445276015 /nfs/dbraw/zinc/27/60/15/445276015.db2.gz JACWUWABGQZQHT-CVEARBPZSA-N 2 1 334.443 1.469 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1nccn1C ZINC000348115366 445276019 /nfs/dbraw/zinc/27/60/19/445276019.db2.gz JACWUWABGQZQHT-CVEARBPZSA-N 2 1 334.443 1.469 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1OC ZINC000351858491 445345035 /nfs/dbraw/zinc/34/50/35/445345035.db2.gz ZIGDRUKVSGOLSF-KGLIPLIRSA-N 2 1 335.448 1.331 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1OC ZINC000351858491 445345036 /nfs/dbraw/zinc/34/50/36/445345036.db2.gz ZIGDRUKVSGOLSF-KGLIPLIRSA-N 2 1 335.448 1.331 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2Cn2ccnc2C)CC1 ZINC000362482542 445405267 /nfs/dbraw/zinc/40/52/67/445405267.db2.gz GXPRXIQIIUAQIY-QGZVFWFLSA-N 2 1 333.480 1.256 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)CC1 ZINC000362482542 445405270 /nfs/dbraw/zinc/40/52/70/445405270.db2.gz GXPRXIQIIUAQIY-QGZVFWFLSA-N 3 1 333.480 1.256 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)CC1 ZINC000362482542 445405274 /nfs/dbraw/zinc/40/52/74/445405274.db2.gz GXPRXIQIIUAQIY-QGZVFWFLSA-N 3 1 333.480 1.256 20 0 EDADMP COCC[N@H+](C)CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000348833732 445407855 /nfs/dbraw/zinc/40/78/55/445407855.db2.gz PUCBLDQYTGGMNQ-HNNXBMFYSA-N 2 1 327.856 1.637 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000348833732 445407857 /nfs/dbraw/zinc/40/78/57/445407857.db2.gz PUCBLDQYTGGMNQ-HNNXBMFYSA-N 2 1 327.856 1.637 20 0 EDADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCOCC[NH3+])CC2)CC1 ZINC000357089948 445420576 /nfs/dbraw/zinc/42/05/76/445420576.db2.gz QELZMTCPWZGCMW-UHFFFAOYSA-N 3 1 326.529 1.090 20 0 EDADMP C[N@H+](CCOCC[NH3+])CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000357089948 445420580 /nfs/dbraw/zinc/42/05/80/445420580.db2.gz QELZMTCPWZGCMW-UHFFFAOYSA-N 4 1 326.529 1.090 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000357089948 445420584 /nfs/dbraw/zinc/42/05/84/445420584.db2.gz QELZMTCPWZGCMW-UHFFFAOYSA-N 4 1 326.529 1.090 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351927247 445380043 /nfs/dbraw/zinc/38/00/43/445380043.db2.gz NBKBUDQLVFVBJI-XYVMCAHJSA-N 2 1 331.460 1.078 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)[C@H](O)C1 ZINC000351927247 445380047 /nfs/dbraw/zinc/38/00/47/445380047.db2.gz NBKBUDQLVFVBJI-XYVMCAHJSA-N 2 1 331.460 1.078 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)[C@H](O)C1 ZINC000351927247 445380051 /nfs/dbraw/zinc/38/00/51/445380051.db2.gz NBKBUDQLVFVBJI-XYVMCAHJSA-N 2 1 331.460 1.078 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C(=O)C1CC[NH+](C)CC1 ZINC000348930726 445445055 /nfs/dbraw/zinc/44/50/55/445445055.db2.gz LNWDPHYMWJTYEJ-WMZOPIPTSA-N 2 1 347.507 1.603 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)N1CC[NH+](CC2CC2)CC1 ZINC000348934592 445446886 /nfs/dbraw/zinc/44/68/86/445446886.db2.gz QWJDVIPRRYXSJS-UHFFFAOYSA-N 2 1 327.472 1.989 20 0 EDADMP CC[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000357170467 445465466 /nfs/dbraw/zinc/46/54/66/445465466.db2.gz FKDDZHPHYZTLQY-ROUUACIJSA-N 2 1 331.460 1.318 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000355572486 445469658 /nfs/dbraw/zinc/46/96/58/445469658.db2.gz KAZUUYABQCVDDQ-IBGZPJMESA-N 2 1 345.487 1.739 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000362723993 445519071 /nfs/dbraw/zinc/51/90/71/445519071.db2.gz OWBOXOIMTMZULA-QAPCUYQASA-N 2 1 333.476 1.483 20 0 EDADMP C[C@H](O)C[N@H+](C)C1CC[NH+](CCc2ccc3c(c2)OCCO3)CC1 ZINC000360006123 445524342 /nfs/dbraw/zinc/52/43/42/445524342.db2.gz WTWOEVKRZBMROC-HNNXBMFYSA-N 2 1 334.460 1.777 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCc2ccc3c(c2)OCCO3)CC1 ZINC000360006123 445524346 /nfs/dbraw/zinc/52/43/46/445524346.db2.gz WTWOEVKRZBMROC-HNNXBMFYSA-N 2 1 334.460 1.777 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000360026212 445534055 /nfs/dbraw/zinc/53/40/55/445534055.db2.gz XUJWQPCSGQTMGI-GJZGRUSLSA-N 2 1 336.480 1.561 20 0 EDADMP CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C1 ZINC000359957724 445504186 /nfs/dbraw/zinc/50/41/86/445504186.db2.gz IGIAWBUNEMRYLA-HNNXBMFYSA-N 2 1 333.480 1.325 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C1 ZINC000359957724 445504190 /nfs/dbraw/zinc/50/41/90/445504190.db2.gz IGIAWBUNEMRYLA-HNNXBMFYSA-N 2 1 333.480 1.325 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C1 ZINC000359957724 445504193 /nfs/dbraw/zinc/50/41/93/445504193.db2.gz IGIAWBUNEMRYLA-HNNXBMFYSA-N 2 1 333.480 1.325 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C1 ZINC000359957724 445504196 /nfs/dbraw/zinc/50/41/96/445504196.db2.gz IGIAWBUNEMRYLA-HNNXBMFYSA-N 2 1 333.480 1.325 20 0 EDADMP C[NH+](C)CCOc1ccc(CNC(=O)c2cc(C[NH+](C)C)on2)cc1 ZINC000355852404 445505976 /nfs/dbraw/zinc/50/59/76/445505976.db2.gz CIHXNLQTOCVSNS-UHFFFAOYSA-N 2 1 346.431 1.607 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000360124601 445580403 /nfs/dbraw/zinc/58/04/03/445580403.db2.gz LUMUXYHDPXSRCB-JKSUJKDBSA-N 2 1 328.501 1.107 20 0 EDADMP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H](C)O1 ZINC000362939869 445618224 /nfs/dbraw/zinc/61/82/24/445618224.db2.gz GJMHMIOCYOHBPB-XHSDSOJGSA-N 2 1 334.464 1.766 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H](C)O1 ZINC000362939869 445618226 /nfs/dbraw/zinc/61/82/26/445618226.db2.gz GJMHMIOCYOHBPB-XHSDSOJGSA-N 2 1 334.464 1.766 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000357915028 445592603 /nfs/dbraw/zinc/59/26/03/445592603.db2.gz YGSQFPQXMPVFGX-HPFXQQBRSA-N 2 1 337.508 1.887 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C1=CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357915028 445592615 /nfs/dbraw/zinc/59/26/15/445592615.db2.gz YGSQFPQXMPVFGX-HPFXQQBRSA-N 2 1 337.508 1.887 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357915028 445592619 /nfs/dbraw/zinc/59/26/19/445592619.db2.gz YGSQFPQXMPVFGX-HPFXQQBRSA-N 2 1 337.508 1.887 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357915028 445592623 /nfs/dbraw/zinc/59/26/23/445592623.db2.gz YGSQFPQXMPVFGX-HPFXQQBRSA-N 2 1 337.508 1.887 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000358610686 445674516 /nfs/dbraw/zinc/67/45/16/445674516.db2.gz VSLXQAYOWILEQS-INIZCTEOSA-N 2 1 341.544 1.432 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000358610686 445674520 /nfs/dbraw/zinc/67/45/20/445674520.db2.gz VSLXQAYOWILEQS-INIZCTEOSA-N 2 1 341.544 1.432 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000358610686 445674526 /nfs/dbraw/zinc/67/45/26/445674526.db2.gz VSLXQAYOWILEQS-INIZCTEOSA-N 2 1 341.544 1.432 20 0 EDADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC000358638191 445688366 /nfs/dbraw/zinc/68/83/66/445688366.db2.gz TZWMNLHEPLHMER-HZPDHXFCSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC000358638191 445688370 /nfs/dbraw/zinc/68/83/70/445688370.db2.gz TZWMNLHEPLHMER-HZPDHXFCSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCNc2cc[nH+]cc2)C[C@H](C)O1 ZINC000356277810 445713635 /nfs/dbraw/zinc/71/36/35/445713635.db2.gz INDQYVRTTOOALS-GJZGRUSLSA-N 2 1 349.479 1.102 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000361104177 445748917 /nfs/dbraw/zinc/74/89/17/445748917.db2.gz PEQYMGWOUWIKIT-WCXIOVBPSA-N 2 1 337.508 1.865 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000361104177 445748920 /nfs/dbraw/zinc/74/89/20/445748920.db2.gz PEQYMGWOUWIKIT-WCXIOVBPSA-N 2 1 337.508 1.865 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000353793279 445758659 /nfs/dbraw/zinc/75/86/59/445758659.db2.gz JICWDOIPTZZENM-KSZLIROESA-N 2 1 336.524 1.249 20 0 EDADMP C[C@@H](CCc1ccccc1)[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363492976 445829124 /nfs/dbraw/zinc/82/91/24/445829124.db2.gz KDLDTYACOPKJCE-ICSRJNTNSA-N 2 1 331.504 1.956 20 0 EDADMP C[NH+](C)CCC1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000353961504 445829658 /nfs/dbraw/zinc/82/96/58/445829658.db2.gz NTWKAWIFVANELI-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC000356432216 445787139 /nfs/dbraw/zinc/78/71/39/445787139.db2.gz FZPVQMCDUMUMHE-CQSZACIVSA-N 2 1 345.513 1.138 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)CC2(C)C)C1 ZINC000350286300 445806850 /nfs/dbraw/zinc/80/68/50/445806850.db2.gz LPDLANKTHPSPSP-JKSUJKDBSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H](C)CC2(C)C)C1 ZINC000350286300 445806854 /nfs/dbraw/zinc/80/68/54/445806854.db2.gz LPDLANKTHPSPSP-JKSUJKDBSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H](C)CC2(C)C)C1 ZINC000350286300 445806857 /nfs/dbraw/zinc/80/68/57/445806857.db2.gz LPDLANKTHPSPSP-JKSUJKDBSA-N 2 1 325.497 1.580 20 0 EDADMP CS[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C[C@@H]1[NH+]1CCCC1 ZINC000361626664 445854797 /nfs/dbraw/zinc/85/47/97/445854797.db2.gz XZMJZWXUYCISBZ-QLFBSQMISA-N 2 1 343.562 1.462 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000359013586 445888145 /nfs/dbraw/zinc/88/81/45/445888145.db2.gz BKGHXROTFNQDOI-HHXXYDBFSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000359013586 445888150 /nfs/dbraw/zinc/88/81/50/445888150.db2.gz BKGHXROTFNQDOI-HHXXYDBFSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000359013586 445888153 /nfs/dbraw/zinc/88/81/53/445888153.db2.gz BKGHXROTFNQDOI-HHXXYDBFSA-N 2 1 346.475 1.015 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCOC1 ZINC000365910974 445902692 /nfs/dbraw/zinc/90/26/92/445902692.db2.gz BVDUFYMAOOAJJU-KRWDZBQOSA-N 2 1 337.508 1.678 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1)C(C)C ZINC000361763810 445925447 /nfs/dbraw/zinc/92/54/47/445925447.db2.gz GOFFSIWAYIHBNM-UHFFFAOYSA-N 2 1 342.528 1.859 20 0 EDADMP Cc1[nH+]ccn1-c1cncc(NCCC[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000372985460 445960304 /nfs/dbraw/zinc/96/03/04/445960304.db2.gz UCAZSGDLKXWFPJ-AWEZNQCLSA-N 2 1 330.436 1.884 20 0 EDADMP Cc1[nH+]ccn1-c1cncc(NCCC[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000372985460 445960308 /nfs/dbraw/zinc/96/03/08/445960308.db2.gz UCAZSGDLKXWFPJ-AWEZNQCLSA-N 2 1 330.436 1.884 20 0 EDADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000372999675 445967617 /nfs/dbraw/zinc/96/76/17/445967617.db2.gz NPEQMFHYPYJNNK-VJFUWPCTSA-N 2 1 335.492 1.763 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000361789034 445947255 /nfs/dbraw/zinc/94/72/55/445947255.db2.gz PVOQBRQORABNTO-ZACQAIPSSA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000361789034 445947263 /nfs/dbraw/zinc/94/72/63/445947263.db2.gz PVOQBRQORABNTO-ZACQAIPSSA-N 2 1 340.512 1.469 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000359204484 446032645 /nfs/dbraw/zinc/03/26/45/446032645.db2.gz DPEVYPQRWVSVCD-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000359204484 446032650 /nfs/dbraw/zinc/03/26/50/446032650.db2.gz DPEVYPQRWVSVCD-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CN(C2CC2)CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000366082231 446001646 /nfs/dbraw/zinc/00/16/46/446001646.db2.gz CJQWXIPZUNODSY-VYDXJSESSA-N 2 1 338.496 1.269 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000583312053 326046860 /nfs/dbraw/zinc/04/68/60/326046860.db2.gz WANSUCRZOQUJMT-IAGOWNOFSA-N 2 1 338.496 1.272 20 0 EDADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)N1CCOCC1 ZINC000369295276 446054375 /nfs/dbraw/zinc/05/43/75/446054375.db2.gz VHTZADSGZVRVHE-KDURUIRLSA-N 2 1 343.471 1.299 20 0 EDADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1CCOCC1 ZINC000369295276 446054383 /nfs/dbraw/zinc/05/43/83/446054383.db2.gz VHTZADSGZVRVHE-KDURUIRLSA-N 2 1 343.471 1.299 20 0 EDADMP O=C(CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N1CCOCC1 ZINC000369295276 446054391 /nfs/dbraw/zinc/05/43/91/446054391.db2.gz VHTZADSGZVRVHE-KDURUIRLSA-N 2 1 343.471 1.299 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583742709 326129777 /nfs/dbraw/zinc/12/97/77/326129777.db2.gz UYAQQYLVWNFZMR-NXHRZFHOSA-N 2 1 330.476 1.806 20 0 EDADMP C[C@@H]1CCC[NH+](C(C)(C)CNC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583866869 326155421 /nfs/dbraw/zinc/15/54/21/326155421.db2.gz KHDXZGNKSPJYJR-ZJPYXAASSA-N 2 1 341.540 1.557 20 0 EDADMP C[C@@H]1CCC[NH+](C(C)(C)CNC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583866869 326155422 /nfs/dbraw/zinc/15/54/22/326155422.db2.gz KHDXZGNKSPJYJR-ZJPYXAASSA-N 2 1 341.540 1.557 20 0 EDADMP CC(C)C[C@H](CNC(=O)COC1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC000584170532 326213287 /nfs/dbraw/zinc/21/32/87/326213287.db2.gz WJQDPDAIZJZWPX-AQFXKWCLSA-N 2 1 341.496 1.136 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cccc(OC4CCCC4)c3)CCN2C1=O ZINC000584183502 326216901 /nfs/dbraw/zinc/21/69/01/326216901.db2.gz KRUIFRIWTATBAA-QAPCUYQASA-N 2 1 329.444 1.752 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cccc(OC4CCCC4)c3)CCN2C1=O ZINC000584183502 326216904 /nfs/dbraw/zinc/21/69/04/326216904.db2.gz KRUIFRIWTATBAA-QAPCUYQASA-N 2 1 329.444 1.752 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)c2cccs2)CC1 ZINC000584228489 326224505 /nfs/dbraw/zinc/22/45/05/326224505.db2.gz ALMLHBOVHHSUHQ-NEPJUHHUSA-N 2 1 346.447 1.135 20 0 EDADMP C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000351455154 446069959 /nfs/dbraw/zinc/06/99/59/446069959.db2.gz CNNKIRWXVHFKLO-MRXNPFEDSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000351455154 446069962 /nfs/dbraw/zinc/06/99/62/446069962.db2.gz CNNKIRWXVHFKLO-MRXNPFEDSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000351455154 446069965 /nfs/dbraw/zinc/06/99/65/446069965.db2.gz CNNKIRWXVHFKLO-MRXNPFEDSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000369317795 446068253 /nfs/dbraw/zinc/06/82/53/446068253.db2.gz ZOQFWKYHJAOJJN-GOEBONIOSA-N 2 1 340.431 1.645 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)[C@@H](C)C1 ZINC000361924443 446072394 /nfs/dbraw/zinc/07/23/94/446072394.db2.gz NIXKNYYBMLPYIQ-GOEBONIOSA-N 2 1 334.464 1.407 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)[C@@H](C)C1 ZINC000361924443 446072399 /nfs/dbraw/zinc/07/23/99/446072399.db2.gz NIXKNYYBMLPYIQ-GOEBONIOSA-N 2 1 334.464 1.407 20 0 EDADMP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351474122 446075279 /nfs/dbraw/zinc/07/52/79/446075279.db2.gz FIYIOMJEQGOIBP-SZMVWBNQSA-N 2 1 331.460 1.583 20 0 EDADMP CN(CCCOc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351474122 446075285 /nfs/dbraw/zinc/07/52/85/446075285.db2.gz FIYIOMJEQGOIBP-SZMVWBNQSA-N 2 1 331.460 1.583 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000351485963 446086072 /nfs/dbraw/zinc/08/60/72/446086072.db2.gz VEQYYRASIXCABZ-NJAFHUGGSA-N 2 1 331.460 1.169 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1OC ZINC000351491288 446093653 /nfs/dbraw/zinc/09/36/53/446093653.db2.gz JJGHHKALAONCKH-IMJJTQAJSA-N 2 1 347.459 1.331 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1OC ZINC000351491288 446093657 /nfs/dbraw/zinc/09/36/57/446093657.db2.gz JJGHHKALAONCKH-IMJJTQAJSA-N 2 1 347.459 1.331 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)C2=O)c1 ZINC000351498396 446103372 /nfs/dbraw/zinc/10/33/72/446103372.db2.gz VPUWSUJRBQMOOB-XKDXWZMYSA-N 2 1 345.443 1.478 20 0 EDADMP C[N@@H+](C[C@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365275232 446119589 /nfs/dbraw/zinc/11/95/89/446119589.db2.gz NWLRPSGFVPJMQK-IAGOWNOFSA-N 2 1 335.492 1.573 20 0 EDADMP C[N@@H+](C[C@H](O)CN1CCC[C@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521346 446123616 /nfs/dbraw/zinc/12/36/16/446123616.db2.gz UHILYLGJUWYYHP-APWZRJJASA-N 2 1 345.487 1.584 20 0 EDADMP CN(C[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521346 446123623 /nfs/dbraw/zinc/12/36/23/446123623.db2.gz UHILYLGJUWYYHP-APWZRJJASA-N 2 1 345.487 1.584 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521346 446123632 /nfs/dbraw/zinc/12/36/32/446123632.db2.gz UHILYLGJUWYYHP-APWZRJJASA-N 2 1 345.487 1.584 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000373322993 446164864 /nfs/dbraw/zinc/16/48/64/446164864.db2.gz KNGXNYIUWVQXDU-LJQANCHMSA-N 2 1 348.535 1.489 20 0 EDADMP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1OC ZINC000362064530 446186795 /nfs/dbraw/zinc/18/67/95/446186795.db2.gz QMSNAIWZQOEDKV-LSDHHAIUSA-N 2 1 348.447 1.893 20 0 EDADMP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cc1OC ZINC000362064530 446186802 /nfs/dbraw/zinc/18/68/02/446186802.db2.gz QMSNAIWZQOEDKV-LSDHHAIUSA-N 2 1 348.447 1.893 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000359319186 446147435 /nfs/dbraw/zinc/14/74/35/446147435.db2.gz PWNMZEKNYLJJLS-HNNXBMFYSA-N 2 1 338.496 1.223 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(=O)(=O)C1CC1 ZINC000370266510 446204038 /nfs/dbraw/zinc/20/40/38/446204038.db2.gz UWKBSTATWOBSFE-UHFFFAOYSA-N 2 1 343.537 1.607 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000351623877 446218328 /nfs/dbraw/zinc/21/83/28/446218328.db2.gz KIDFCSOXRIDCSZ-QAETUUGQSA-N 2 1 327.513 1.967 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366496100 446237568 /nfs/dbraw/zinc/23/75/68/446237568.db2.gz IFYPXQNDFREYII-VKJFTORMSA-N 2 1 336.480 1.419 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCOC)[C@H]2CC[C@H](C)C2)CC1 ZINC000362159607 446242291 /nfs/dbraw/zinc/24/22/91/446242291.db2.gz VYZBEFFOFUYQJQ-RDJZCZTQSA-N 2 1 325.497 1.724 20 0 EDADMP COc1ccc(CNC(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000365544517 446247745 /nfs/dbraw/zinc/24/77/45/446247745.db2.gz GEBGFSPFVOWOHQ-NZSAHSFTSA-N 2 1 343.471 1.728 20 0 EDADMP CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000362277035 446300151 /nfs/dbraw/zinc/30/01/51/446300151.db2.gz CKNPANRSNCQJLT-NSHDSACASA-N 2 1 347.394 1.816 20 0 EDADMP COc1ccc([C@@H]2[C@H](CNC(=O)C[C@@H](C[NH3+])OC)CCC[N@H+]2C)cc1 ZINC000365709618 446309658 /nfs/dbraw/zinc/30/96/58/446309658.db2.gz DZUBOXJAOVHALK-VDZJLULYSA-N 2 1 349.475 1.558 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]C[C@H]1CCSC1 ZINC000366749005 446333269 /nfs/dbraw/zinc/33/32/69/446333269.db2.gz YMTKMJWWSMXOAC-OAHLLOKOSA-N 2 1 337.537 1.713 20 0 EDADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCN(C(=O)c3ccco3)CC2)CCCO1 ZINC000366791532 446353788 /nfs/dbraw/zinc/35/37/88/446353788.db2.gz MGRUNOKBIAAQHV-MRXNPFEDSA-N 2 1 349.475 1.975 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCN(C(=O)c3ccco3)CC2)CCCO1 ZINC000366791532 446353792 /nfs/dbraw/zinc/35/37/92/446353792.db2.gz MGRUNOKBIAAQHV-MRXNPFEDSA-N 2 1 349.475 1.975 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417508670 446357591 /nfs/dbraw/zinc/35/75/91/446357591.db2.gz TZKIGBVSNCIRGW-GBESFXJTSA-N 2 1 342.487 1.412 20 0 EDADMP COCCSCCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000365842930 446366814 /nfs/dbraw/zinc/36/68/14/446366814.db2.gz CMGAXFIJVVMXFZ-QGZVFWFLSA-N 2 1 329.554 1.858 20 0 EDADMP CC[C@@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417898843 446379749 /nfs/dbraw/zinc/37/97/49/446379749.db2.gz RRTZKQGIXVTDCP-IAGOWNOFSA-N 2 1 348.491 1.703 20 0 EDADMP CC[C@@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417898843 446379755 /nfs/dbraw/zinc/37/97/55/446379755.db2.gz RRTZKQGIXVTDCP-IAGOWNOFSA-N 2 1 348.491 1.703 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000365872002 446381462 /nfs/dbraw/zinc/38/14/62/446381462.db2.gz SWXFAGVWPFBBPP-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP COC[C@]1(CNC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CCC[NH2+]1 ZINC000417918878 446385562 /nfs/dbraw/zinc/38/55/62/446385562.db2.gz PIQWXPADWGCHMT-SJLPKXTDSA-N 2 1 340.512 1.565 20 0 EDADMP Cc1cnc([C@H]2CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)s1 ZINC000374791588 446394216 /nfs/dbraw/zinc/39/42/16/446394216.db2.gz FRRJLCYQQPGTSX-HNNXBMFYSA-N 2 1 336.505 1.795 20 0 EDADMP Cc1cnc([C@H]2CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)s1 ZINC000374791588 446394220 /nfs/dbraw/zinc/39/42/20/446394220.db2.gz FRRJLCYQQPGTSX-HNNXBMFYSA-N 2 1 336.505 1.795 20 0 EDADMP C[NH2+]CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417951415 446397372 /nfs/dbraw/zinc/39/73/72/446397372.db2.gz NEEAFIJWVFRGFY-DOMZBBRYSA-N 2 1 342.846 1.991 20 0 EDADMP CC1CC[NH+](CCN2CC[NH+](C3(C(N)=O)CCCCC3)CC2)CC1 ZINC000370710732 446397717 /nfs/dbraw/zinc/39/77/17/446397717.db2.gz YPMHBLGPMCOPFZ-UHFFFAOYSA-N 2 1 336.524 1.524 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1)CCC(F)(F)F ZINC000418080939 446435063 /nfs/dbraw/zinc/43/50/63/446435063.db2.gz UAAVYNXSMIGLKT-AWEZNQCLSA-N 2 1 338.418 1.950 20 0 EDADMP C[C@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417982873 446406686 /nfs/dbraw/zinc/40/66/86/446406686.db2.gz AVQYVABFDUUENJ-WZGPROSRSA-N 2 1 342.487 1.758 20 0 EDADMP C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417990237 446409184 /nfs/dbraw/zinc/40/91/84/446409184.db2.gz KDDFBYUIYCIVJM-OUCADQQQSA-N 2 1 332.439 1.921 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000417997822 446411456 /nfs/dbraw/zinc/41/14/56/446411456.db2.gz GKMKDNPFKQFCLW-PVAVHDDUSA-N 2 1 346.475 1.834 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000417997822 446411459 /nfs/dbraw/zinc/41/14/59/446411459.db2.gz GKMKDNPFKQFCLW-PVAVHDDUSA-N 2 1 346.475 1.834 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418004011 446411985 /nfs/dbraw/zinc/41/19/85/446411985.db2.gz ZIATVGRIEKRCRX-YJBOKZPZSA-N 2 1 346.475 1.052 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000411174991 446419178 /nfs/dbraw/zinc/41/91/78/446419178.db2.gz BXODQJPDZSYMBX-QGZVFWFLSA-N 2 1 346.475 1.596 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000411174989 446419227 /nfs/dbraw/zinc/41/92/27/446419227.db2.gz BXODQJPDZSYMBX-KRWDZBQOSA-N 2 1 346.475 1.596 20 0 EDADMP CC(C)SCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000374860843 446422349 /nfs/dbraw/zinc/42/23/49/446422349.db2.gz GSALTYVZDAUBSR-KRWDZBQOSA-N 2 1 329.554 1.855 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc(N2CCCC2)[nH+]1 ZINC000418203984 446456887 /nfs/dbraw/zinc/45/68/87/446456887.db2.gz WXYNLIZKGXMXJY-CZUORRHYSA-N 2 1 331.464 1.930 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000418204983 446457807 /nfs/dbraw/zinc/45/78/07/446457807.db2.gz YHFLQRIELJKSSG-UAGQMJEPSA-N 2 1 340.512 1.645 20 0 EDADMP Cc1cc(C)n(CC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000374925238 446462385 /nfs/dbraw/zinc/46/23/85/446462385.db2.gz FEMQGLXGEBNJJK-UHFFFAOYSA-N 2 1 347.507 1.376 20 0 EDADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420301378 446464665 /nfs/dbraw/zinc/46/46/65/446464665.db2.gz VQWAZGOLZLYLKB-MRXNPFEDSA-N 2 1 339.480 1.254 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCN3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423205860 446453658 /nfs/dbraw/zinc/45/36/58/446453658.db2.gz PVBJFJIWCVQKIV-PCCBWWKXSA-N 3 1 342.531 1.924 20 0 EDADMP c1ccc(CN2CC[C@H]([NH2+]CCN3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423205860 446453664 /nfs/dbraw/zinc/45/36/64/446453664.db2.gz PVBJFJIWCVQKIV-PCCBWWKXSA-N 2 1 342.531 1.924 20 0 EDADMP COc1ccc2c(c1)C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC000420319445 446486367 /nfs/dbraw/zinc/48/63/67/446486367.db2.gz PNZTXMBVSWCLPD-PMACEKPBSA-N 2 1 326.440 1.984 20 0 EDADMP COc1ccc2c(c1)C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC000420319445 446486376 /nfs/dbraw/zinc/48/63/76/446486376.db2.gz PNZTXMBVSWCLPD-PMACEKPBSA-N 2 1 326.440 1.984 20 0 EDADMP C[C@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[N@H+]1CCCC[C@H]1C ZINC000423319191 446486971 /nfs/dbraw/zinc/48/69/71/446486971.db2.gz DCKRREWGDUQRSV-BZUAXINKSA-N 2 1 347.507 1.880 20 0 EDADMP CC1CCC(N(C)C(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000420324657 446490855 /nfs/dbraw/zinc/49/08/55/446490855.db2.gz HMGZGJLYKDWLAI-CGZBRXJRSA-N 2 1 337.508 1.711 20 0 EDADMP CC1CCC(N(C)C(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000420324657 446490858 /nfs/dbraw/zinc/49/08/58/446490858.db2.gz HMGZGJLYKDWLAI-CGZBRXJRSA-N 2 1 337.508 1.711 20 0 EDADMP COc1cccc([C@@H](O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000367054477 446491311 /nfs/dbraw/zinc/49/13/11/446491311.db2.gz YHTRXGRIRKALAM-CRAIPNDOSA-N 2 1 347.459 1.013 20 0 EDADMP COc1cccc([C@@H](O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000367054477 446491320 /nfs/dbraw/zinc/49/13/20/446491320.db2.gz YHTRXGRIRKALAM-CRAIPNDOSA-N 2 1 347.459 1.013 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000423342029 446496005 /nfs/dbraw/zinc/49/60/05/446496005.db2.gz CPMHXJGCTLFSHR-YOEHRIQHSA-N 2 1 344.459 1.401 20 0 EDADMP COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420333697 446503344 /nfs/dbraw/zinc/50/33/44/446503344.db2.gz FPBDVDKQFWSHOF-LSDHHAIUSA-N 2 1 347.459 1.964 20 0 EDADMP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420337963 446507491 /nfs/dbraw/zinc/50/74/91/446507491.db2.gz NDKADGWJXSVUSR-SOUVJXGZSA-N 2 1 342.443 1.292 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C[C@H]1C ZINC000423384390 446512587 /nfs/dbraw/zinc/51/25/87/446512587.db2.gz QADDUPDUYVCBOE-OWCLPIDISA-N 2 1 340.512 1.149 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2NCCCC2(C)C)CC[NH2+]CC1 ZINC000423388065 446514051 /nfs/dbraw/zinc/51/40/51/446514051.db2.gz MOVBIZVYHHVFBS-HUUCEWRRSA-N 2 1 325.497 1.676 20 0 EDADMP CCOC(=O)C1([C@@H](C)NC[C@H]2[NH2+]CCCC2(C)C)CC[NH2+]CC1 ZINC000423388065 446514055 /nfs/dbraw/zinc/51/40/55/446514055.db2.gz MOVBIZVYHHVFBS-HUUCEWRRSA-N 2 1 325.497 1.676 20 0 EDADMP CC(C)CN(C(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C1CC1 ZINC000420382479 446558800 /nfs/dbraw/zinc/55/88/00/446558800.db2.gz PVEXJLXFKNUHJF-INIZCTEOSA-N 2 1 334.468 1.021 20 0 EDADMP CC(C)CN(C(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C1CC1 ZINC000420382479 446558803 /nfs/dbraw/zinc/55/88/03/446558803.db2.gz PVEXJLXFKNUHJF-INIZCTEOSA-N 2 1 334.468 1.021 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000418483298 446560920 /nfs/dbraw/zinc/56/09/20/446560920.db2.gz ZAPGLGOSIOKVRT-MLHJIOFPSA-N 2 1 346.475 1.048 20 0 EDADMP Cc1cccc2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc(=O)n12 ZINC000420389235 446565845 /nfs/dbraw/zinc/56/58/45/446565845.db2.gz HITSRXMBEKJUED-DOTOQJQBSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1cccc2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc(=O)n12 ZINC000420389235 446565848 /nfs/dbraw/zinc/56/58/48/446565848.db2.gz HITSRXMBEKJUED-DOTOQJQBSA-N 2 1 326.444 1.967 20 0 EDADMP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420345861 446518985 /nfs/dbraw/zinc/51/89/85/446518985.db2.gz BRIXYNBCWHOKQL-MRXNPFEDSA-N 2 1 344.503 1.902 20 0 EDADMP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420345861 446518990 /nfs/dbraw/zinc/51/89/90/446518990.db2.gz BRIXYNBCWHOKQL-MRXNPFEDSA-N 2 1 344.503 1.902 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423404723 446520056 /nfs/dbraw/zinc/52/00/56/446520056.db2.gz ZEKAERUFBOFSFX-OWCLPIDISA-N 2 1 347.507 1.880 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(COC)CC[NH2+]C2)C1 ZINC000423410688 446521711 /nfs/dbraw/zinc/52/17/11/446521711.db2.gz SJOPZPFFQLUZIP-MAUKXSAKSA-N 2 1 325.497 1.629 20 0 EDADMP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420350944 446530537 /nfs/dbraw/zinc/53/05/37/446530537.db2.gz VHPYJVNBCDEQKL-SJLPKXTDSA-N 2 1 330.476 1.408 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000418403575 446530888 /nfs/dbraw/zinc/53/08/88/446530888.db2.gz BTDQOHQUUNWYPI-QKPAOTATSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000418403575 446530891 /nfs/dbraw/zinc/53/08/91/446530891.db2.gz BTDQOHQUUNWYPI-QKPAOTATSA-N 2 1 326.485 1.255 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C[NH3+])C(C)C)C2)cc(OC)c1 ZINC000433134650 446533204 /nfs/dbraw/zinc/53/32/04/446533204.db2.gz RQPROPNDBDJUEB-MAUKXSAKSA-N 2 1 349.475 1.625 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H](C[NH3+])C(C)C)C2)cc(OC)c1 ZINC000433134650 446533211 /nfs/dbraw/zinc/53/32/11/446533211.db2.gz RQPROPNDBDJUEB-MAUKXSAKSA-N 2 1 349.475 1.625 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418612571 446616426 /nfs/dbraw/zinc/61/64/26/446616426.db2.gz ICJGBYBNABMKBB-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP CCc1cc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]n1 ZINC000371083422 446616994 /nfs/dbraw/zinc/61/69/94/446616994.db2.gz BPTOUDDSXNTZMS-UHFFFAOYSA-N 2 1 347.507 1.898 20 0 EDADMP CCOc1ccc(-c2noc(C[NH+]3CCC(O)(C[NH3+])CC3)n2)cc1 ZINC000420403995 446575844 /nfs/dbraw/zinc/57/58/44/446575844.db2.gz LYZXXDMCALZXRD-UHFFFAOYSA-N 2 1 332.404 1.421 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000433463740 446577164 /nfs/dbraw/zinc/57/71/64/446577164.db2.gz AHQWKBFNCCTFGF-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC(C[NH+](C)C)CC2)CCCO1 ZINC000433467596 446579457 /nfs/dbraw/zinc/57/94/57/446579457.db2.gz QZMLBOKNGIZWFS-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418546927 446588495 /nfs/dbraw/zinc/58/84/95/446588495.db2.gz IEMPEGQRQZOHMS-FGTMMUONSA-N 2 1 346.475 1.063 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420420648 446595532 /nfs/dbraw/zinc/59/55/32/446595532.db2.gz YBQSAROGAOCTOE-YJBOKZPZSA-N 2 1 333.476 1.756 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420420648 446595540 /nfs/dbraw/zinc/59/55/40/446595540.db2.gz YBQSAROGAOCTOE-YJBOKZPZSA-N 2 1 333.476 1.756 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000418585643 446603373 /nfs/dbraw/zinc/60/33/73/446603373.db2.gz DNTZAVOIUPQYBQ-NJAFHUGGSA-N 2 1 330.476 1.553 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000418585643 446603379 /nfs/dbraw/zinc/60/33/79/446603379.db2.gz DNTZAVOIUPQYBQ-NJAFHUGGSA-N 2 1 330.476 1.553 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C1 ZINC000376613441 446605218 /nfs/dbraw/zinc/60/52/18/446605218.db2.gz ZRVAPZNUFBZDGL-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C1 ZINC000376613441 446605224 /nfs/dbraw/zinc/60/52/24/446605224.db2.gz ZRVAPZNUFBZDGL-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC000371064884 446607154 /nfs/dbraw/zinc/60/71/54/446607154.db2.gz NBUBQYGILSRRAR-SJORKVTESA-N 2 1 334.439 1.964 20 0 EDADMP C[NH+](CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC000371064884 446607168 /nfs/dbraw/zinc/60/71/68/446607168.db2.gz NBUBQYGILSRRAR-SJORKVTESA-N 2 1 334.439 1.964 20 0 EDADMP C[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC000371064884 446607177 /nfs/dbraw/zinc/60/71/77/446607177.db2.gz NBUBQYGILSRRAR-SJORKVTESA-N 2 1 334.439 1.964 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000418681579 446646892 /nfs/dbraw/zinc/64/68/92/446646892.db2.gz YRQUDMMGQNYHKD-FVQHAEBGSA-N 2 1 348.878 1.775 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000418681579 446646897 /nfs/dbraw/zinc/64/68/97/446646897.db2.gz YRQUDMMGQNYHKD-FVQHAEBGSA-N 2 1 348.878 1.775 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC[N@H+](C2CCC2)C1 ZINC000418750657 446669893 /nfs/dbraw/zinc/66/98/93/446669893.db2.gz OWNDEOHNVKCPCC-TZMCWYRMSA-N 2 1 330.423 1.499 20 0 EDADMP Cc1c(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cnn1C ZINC000371094997 446624243 /nfs/dbraw/zinc/62/42/43/446624243.db2.gz SNYTZHGKNQFYGE-UHFFFAOYSA-N 2 1 347.507 1.655 20 0 EDADMP O[C@H](COC1CCOCC1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371205246 446689019 /nfs/dbraw/zinc/68/90/19/446689019.db2.gz PVCSZHNJQOIDHL-ROUUACIJSA-N 2 1 340.508 1.741 20 0 EDADMP O[C@H](COC1CCOCC1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371205246 446689026 /nfs/dbraw/zinc/68/90/26/446689026.db2.gz PVCSZHNJQOIDHL-ROUUACIJSA-N 2 1 340.508 1.741 20 0 EDADMP CN(C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376776434 446712479 /nfs/dbraw/zinc/71/24/79/446712479.db2.gz HWPMMDQQVMFTLU-QQXWRGTKSA-N 2 1 336.480 1.116 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)[C@H]3C[NH2+]CCO3)CC[N@H+]2C2CC2)c1 ZINC000423833630 446721233 /nfs/dbraw/zinc/72/12/33/446721233.db2.gz TXWIBUVWWIHMOZ-KSZLIROESA-N 2 1 345.443 1.078 20 0 EDADMP COCC[NH2+]CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000371271772 446730192 /nfs/dbraw/zinc/73/01/92/446730192.db2.gz VPNYPJPQLXBSFU-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP Cc1ccc([C@H](O)C[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000375338676 446734016 /nfs/dbraw/zinc/73/40/16/446734016.db2.gz SJEOPQKVYLWSLQ-HXUWFJFHSA-N 2 1 347.503 1.368 20 0 EDADMP Cc1ccc([C@H](O)C[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)cc1 ZINC000375338676 446734020 /nfs/dbraw/zinc/73/40/20/446734020.db2.gz SJEOPQKVYLWSLQ-HXUWFJFHSA-N 2 1 347.503 1.368 20 0 EDADMP OC(C[NH+]1CCC[C@@H]1[C@@H]1CCCO1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375372828 446756091 /nfs/dbraw/zinc/75/60/91/446756091.db2.gz GOBJHLRTRGWFTN-YRXWBPOGSA-N 2 1 338.492 1.634 20 0 EDADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000423929834 446780946 /nfs/dbraw/zinc/78/09/46/446780946.db2.gz JHKISHFPOLJVQZ-ZMSDIMECSA-N 2 1 349.523 1.943 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000423934691 446785526 /nfs/dbraw/zinc/78/55/26/446785526.db2.gz WMBKWSGNZXZTDH-NJAFHUGGSA-N 2 1 333.476 1.953 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000423934691 446785530 /nfs/dbraw/zinc/78/55/30/446785530.db2.gz WMBKWSGNZXZTDH-NJAFHUGGSA-N 2 1 333.476 1.953 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1)C1CC1 ZINC000412015353 446785851 /nfs/dbraw/zinc/78/58/51/446785851.db2.gz ZXFDVPZNXNLUOO-RTBURBONSA-N 2 1 348.487 1.562 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1)C1CC1 ZINC000412015353 446785856 /nfs/dbraw/zinc/78/58/56/446785856.db2.gz ZXFDVPZNXNLUOO-RTBURBONSA-N 2 1 348.487 1.562 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000420817808 446841629 /nfs/dbraw/zinc/84/16/29/446841629.db2.gz ZULBJACMJWKIST-KRWDZBQOSA-N 2 1 336.455 1.993 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000420817808 446841635 /nfs/dbraw/zinc/84/16/35/446841635.db2.gz ZULBJACMJWKIST-KRWDZBQOSA-N 2 1 336.455 1.993 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000420817808 446841645 /nfs/dbraw/zinc/84/16/45/446841645.db2.gz ZULBJACMJWKIST-KRWDZBQOSA-N 2 1 336.455 1.993 20 0 EDADMP COC(=O)[C@]1(C)CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000412102749 446861001 /nfs/dbraw/zinc/86/10/01/446861001.db2.gz KIXZJLGCOQKQAO-GOSISDBHSA-N 2 1 337.464 1.005 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412143531 446877980 /nfs/dbraw/zinc/87/79/80/446877980.db2.gz ZTKAKPYLOTTZTJ-INIZCTEOSA-N 2 1 343.537 1.288 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424482397 446879928 /nfs/dbraw/zinc/87/99/28/446879928.db2.gz UBLMLWOKINJBSV-RCCFBDPRSA-N 2 1 328.460 1.654 20 0 EDADMP CCC1(CC)[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C[C@H]1OC ZINC000371513164 446906093 /nfs/dbraw/zinc/90/60/93/446906093.db2.gz CFNJDEKUAFGIPB-KZNAEPCWSA-N 2 1 339.524 1.576 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC000368519297 446916583 /nfs/dbraw/zinc/91/65/83/446916583.db2.gz PUWKQHMMWLJGID-SFHVURJKSA-N 2 1 333.524 1.701 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)[C@]1([NH+](C)C)CCOc2ccccc21 ZINC000371597976 446936989 /nfs/dbraw/zinc/93/69/89/446936989.db2.gz SVPMJVXCORZCHI-IBGZPJMESA-N 2 1 349.475 1.311 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@]1([NH+](C)C)CCOc2ccccc21 ZINC000371597976 446936991 /nfs/dbraw/zinc/93/69/91/446936991.db2.gz SVPMJVXCORZCHI-IBGZPJMESA-N 2 1 349.475 1.311 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000442718916 446942545 /nfs/dbraw/zinc/94/25/45/446942545.db2.gz MEFKMKLOEVQLAL-LJQANCHMSA-N 2 1 331.460 1.224 20 0 EDADMP CC[NH+](CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000442718916 446942548 /nfs/dbraw/zinc/94/25/48/446942548.db2.gz MEFKMKLOEVQLAL-LJQANCHMSA-N 2 1 331.460 1.224 20 0 EDADMP CC[NH+](CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000442718916 446942551 /nfs/dbraw/zinc/94/25/51/446942551.db2.gz MEFKMKLOEVQLAL-LJQANCHMSA-N 2 1 331.460 1.224 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)CC2)c1 ZINC000442763995 446958072 /nfs/dbraw/zinc/95/80/72/446958072.db2.gz SRGATBGRMOPQNN-SJORKVTESA-N 2 1 330.476 1.313 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)CC2)c1 ZINC000442763995 446958074 /nfs/dbraw/zinc/95/80/74/446958074.db2.gz SRGATBGRMOPQNN-SJORKVTESA-N 2 1 330.476 1.313 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000442766990 446960098 /nfs/dbraw/zinc/96/00/98/446960098.db2.gz LUAAVSCMALYGBK-PKOBYXMFSA-N 2 1 344.503 1.308 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000442766990 446960107 /nfs/dbraw/zinc/96/01/07/446960107.db2.gz LUAAVSCMALYGBK-PKOBYXMFSA-N 2 1 344.503 1.308 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000419171780 446987775 /nfs/dbraw/zinc/98/77/75/446987775.db2.gz PPOUCBIWUSOKOQ-HNNXBMFYSA-N 2 1 340.512 1.391 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000368696893 447047183 /nfs/dbraw/zinc/04/71/83/447047183.db2.gz OMPPVZUEBPBXBU-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP C[N@H+](CCCO)C1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000377302853 447052731 /nfs/dbraw/zinc/05/27/31/447052731.db2.gz DVIBTXJUQFCFDN-UHFFFAOYSA-N 2 1 349.479 1.208 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000377302853 447052734 /nfs/dbraw/zinc/05/27/34/447052734.db2.gz DVIBTXJUQFCFDN-UHFFFAOYSA-N 2 1 349.479 1.208 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000413133589 447025930 /nfs/dbraw/zinc/02/59/30/447025930.db2.gz PSVQHNOHNFYCGB-HNNXBMFYSA-N 2 1 340.537 1.741 20 0 EDADMP C[C@H](NC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)C(C)(C)C[NH+](C)C ZINC000372493768 447087364 /nfs/dbraw/zinc/08/73/64/447087364.db2.gz ABOWQLITUZCMCF-HNNXBMFYSA-N 2 1 342.528 1.451 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000372565506 447145624 /nfs/dbraw/zinc/14/56/24/447145624.db2.gz BLISJYCNIHNTPF-MJXUCMMTSA-N 2 1 334.464 1.476 20 0 EDADMP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@@H]3CC4(CC4)C(=O)O3)CCCN2C)cn1 ZINC000375939823 447162923 /nfs/dbraw/zinc/16/29/23/447162923.db2.gz BSXQWHJGVLZWOC-BHYGNILZSA-N 2 1 346.475 1.831 20 0 EDADMP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375901382 447132640 /nfs/dbraw/zinc/13/26/40/447132640.db2.gz BORNTJCMRPYSQL-ZWKOTPCHSA-N 2 1 338.540 1.782 20 0 EDADMP CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375901382 447132645 /nfs/dbraw/zinc/13/26/45/447132645.db2.gz BORNTJCMRPYSQL-ZWKOTPCHSA-N 2 1 338.540 1.782 20 0 EDADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000372606314 447177651 /nfs/dbraw/zinc/17/76/51/447177651.db2.gz PKDLAXGLVFBQHE-FUHWJXTLSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000372606314 447177656 /nfs/dbraw/zinc/17/76/56/447177656.db2.gz PKDLAXGLVFBQHE-FUHWJXTLSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000372606314 447177662 /nfs/dbraw/zinc/17/76/62/447177662.db2.gz PKDLAXGLVFBQHE-FUHWJXTLSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000372606314 447177667 /nfs/dbraw/zinc/17/76/67/447177667.db2.gz PKDLAXGLVFBQHE-FUHWJXTLSA-N 2 1 330.476 1.846 20 0 EDADMP CN(CC[NH+]1CCCCC1)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000372663524 447211701 /nfs/dbraw/zinc/21/17/01/447211701.db2.gz OYBZLYZQFSNNID-UHFFFAOYSA-N 2 1 336.524 1.491 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419597232 447287831 /nfs/dbraw/zinc/28/78/31/447287831.db2.gz ZUARKGCQBDYQKG-OAHLLOKOSA-N 2 1 338.496 1.145 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450353505 447466393 /nfs/dbraw/zinc/46/63/93/447466393.db2.gz FZPGLNQFUGVHPX-MJGOQNOKSA-N 2 1 347.503 1.637 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000458840064 447488388 /nfs/dbraw/zinc/48/83/88/447488388.db2.gz JIYNJPUIFWHBJE-QGZVFWFLSA-N 2 1 338.496 1.369 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2cccc(C[NH2+]C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000415941051 447528254 /nfs/dbraw/zinc/52/82/54/447528254.db2.gz GDWHCDIRALQIAD-SJLPKXTDSA-N 2 1 346.475 1.981 20 0 EDADMP c1ccc(CN2CCN(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000400924831 447574935 /nfs/dbraw/zinc/57/49/35/447574935.db2.gz HAXWVQYSOIPAIV-PCCBWWKXSA-N 2 1 342.531 1.782 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000427310433 447579548 /nfs/dbraw/zinc/57/95/48/447579548.db2.gz UIABPWCAALUUHM-CJNGLKHVSA-N 2 1 330.432 1.074 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000427310433 447579550 /nfs/dbraw/zinc/57/95/50/447579550.db2.gz UIABPWCAALUUHM-CJNGLKHVSA-N 2 1 330.432 1.074 20 0 EDADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000419999243 447536573 /nfs/dbraw/zinc/53/65/73/447536573.db2.gz OEJMFEXXSITWMN-SJLPKXTDSA-N 2 1 325.497 1.602 20 0 EDADMP COCCOC[C@H](O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450640589 447547172 /nfs/dbraw/zinc/54/71/72/447547172.db2.gz MVNCCQRNQFHQSO-GOSISDBHSA-N 2 1 337.464 1.254 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000459041499 447550152 /nfs/dbraw/zinc/55/01/52/447550152.db2.gz NPAQBJCHEGEAET-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000459041499 447550160 /nfs/dbraw/zinc/55/01/60/447550160.db2.gz NPAQBJCHEGEAET-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000427161345 447555677 /nfs/dbraw/zinc/55/56/77/447555677.db2.gz GKISYNUTSCGKKE-AEFFLSMTSA-N 2 1 347.459 1.553 20 0 EDADMP COC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000398105983 447556064 /nfs/dbraw/zinc/55/60/64/447556064.db2.gz BNODITHIRSXEAS-SJLPKXTDSA-N 2 1 345.487 1.782 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495911159 447637503 /nfs/dbraw/zinc/63/75/03/447637503.db2.gz KUPZJGCJEZCFHJ-SZVBFZGTSA-N 3 1 348.491 1.277 20 0 EDADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2CN2C[C@@]3(CN4CCC3CC4)OC2=O)C1 ZINC000495911159 447637510 /nfs/dbraw/zinc/63/75/10/447637510.db2.gz KUPZJGCJEZCFHJ-SZVBFZGTSA-N 3 1 348.491 1.277 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2CN2C[C@@]3(CN4CCC3CC4)OC2=O)C1 ZINC000495911159 447637516 /nfs/dbraw/zinc/63/75/16/447637516.db2.gz KUPZJGCJEZCFHJ-SZVBFZGTSA-N 3 1 348.491 1.277 20 0 EDADMP O=C1O[C@]2(CN1C[N@H+]1CCCC3(CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000495915411 447640849 /nfs/dbraw/zinc/64/08/49/447640849.db2.gz XQQOKOIVWRDNRB-IBGZPJMESA-N 2 1 349.475 1.753 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000420120172 447615291 /nfs/dbraw/zinc/61/52/91/447615291.db2.gz KDUPTCLUJRUSDW-OAHLLOKOSA-N 2 1 338.496 1.097 20 0 EDADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CCO)[C@@H](C)C2)cc1)C1CC1 ZINC000428520690 447706108 /nfs/dbraw/zinc/70/61/08/447706108.db2.gz HQJFHNCMPVFSCY-INIZCTEOSA-N 2 1 345.487 1.810 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CCO)[C@@H](C)C2)cc1)C1CC1 ZINC000428520690 447706116 /nfs/dbraw/zinc/70/61/16/447706116.db2.gz HQJFHNCMPVFSCY-INIZCTEOSA-N 2 1 345.487 1.810 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1)C1CC1 ZINC000428520690 447706122 /nfs/dbraw/zinc/70/61/22/447706122.db2.gz HQJFHNCMPVFSCY-INIZCTEOSA-N 2 1 345.487 1.810 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1)C1CC1 ZINC000428520690 447706129 /nfs/dbraw/zinc/70/61/29/447706129.db2.gz HQJFHNCMPVFSCY-INIZCTEOSA-N 2 1 345.487 1.810 20 0 EDADMP C[C@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000422590309 447658649 /nfs/dbraw/zinc/65/86/49/447658649.db2.gz AQBLBAKRKRGQNM-MRXNPFEDSA-N 2 1 342.487 1.971 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000457943900 447680428 /nfs/dbraw/zinc/68/04/28/447680428.db2.gz SWRNYYUAWKRUGB-TWMKSMIVSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000457943900 447680429 /nfs/dbraw/zinc/68/04/29/447680429.db2.gz SWRNYYUAWKRUGB-TWMKSMIVSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000457943900 447680433 /nfs/dbraw/zinc/68/04/33/447680433.db2.gz SWRNYYUAWKRUGB-TWMKSMIVSA-N 2 1 340.512 1.203 20 0 EDADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495968324 447682230 /nfs/dbraw/zinc/68/22/30/447682230.db2.gz HZBCHMPEQTZUJK-MPGHIAIKSA-N 2 1 341.496 1.821 20 0 EDADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495968324 447682235 /nfs/dbraw/zinc/68/22/35/447682235.db2.gz HZBCHMPEQTZUJK-MPGHIAIKSA-N 2 1 341.496 1.821 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000416938862 447716316 /nfs/dbraw/zinc/71/63/16/447716316.db2.gz LWPWXPCCHXPQAA-GDBMZVCRSA-N 2 1 326.485 1.112 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C1 ZINC000458296010 447763693 /nfs/dbraw/zinc/76/36/93/447763693.db2.gz QOPGSOSTAFEXOF-MRXNPFEDSA-N 2 1 339.411 1.425 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C1 ZINC000458296010 447763696 /nfs/dbraw/zinc/76/36/96/447763696.db2.gz QOPGSOSTAFEXOF-MRXNPFEDSA-N 2 1 339.411 1.425 20 0 EDADMP CC[C@H](CNC(=O)NC[C@@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000417022652 447730819 /nfs/dbraw/zinc/73/08/19/447730819.db2.gz VLJCPAPXXSALQF-CRAIPNDOSA-N 2 1 330.476 1.732 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)[nH+]c1 ZINC000417065147 447733362 /nfs/dbraw/zinc/73/33/62/447733362.db2.gz PGIFUVKBFDVJLD-IAGOWNOFSA-N 2 1 345.491 2.223 20 0 EDADMP Cc1cccc(N2CCC([NH2+][C@H](C3CC3)[C@@H]3CNCCO3)CC2)[nH+]1 ZINC000422757826 447741613 /nfs/dbraw/zinc/74/16/13/447741613.db2.gz JBGVLIANWHCEML-PKOBYXMFSA-N 2 1 330.476 1.715 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000496384860 447761906 /nfs/dbraw/zinc/76/19/06/447761906.db2.gz RGNPPKKVUPSGHP-OAHLLOKOSA-N 2 1 327.469 1.602 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)CNC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000452091086 447814272 /nfs/dbraw/zinc/81/42/72/447814272.db2.gz AWZGGLILQJJZKG-SFHVURJKSA-N 2 1 346.519 1.870 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422937830 447776650 /nfs/dbraw/zinc/77/66/50/447776650.db2.gz PAHAWXCXNGBPSE-CVEARBPZSA-N 2 1 325.478 1.523 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(C)(C)C[NH3+])cc2)CC1 ZINC000431017313 447788842 /nfs/dbraw/zinc/78/88/42/447788842.db2.gz PMOCUDONWABJSF-UHFFFAOYSA-N 2 1 332.492 1.425 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)C[C@@H]1C ZINC000462005789 447798088 /nfs/dbraw/zinc/79/80/88/447798088.db2.gz VEHQUXKYWXRCGW-OWCLPIDISA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000462005789 447798089 /nfs/dbraw/zinc/79/80/89/447798089.db2.gz VEHQUXKYWXRCGW-OWCLPIDISA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000462005789 447798090 /nfs/dbraw/zinc/79/80/90/447798090.db2.gz VEHQUXKYWXRCGW-OWCLPIDISA-N 2 1 328.501 1.203 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCOCC[NH+](C)C)C1 ZINC000471637483 447806244 /nfs/dbraw/zinc/80/62/44/447806244.db2.gz WQUUJEDEJSWFQT-FUHWJXTLSA-N 2 1 348.491 1.699 20 0 EDADMP C[C@H](O)[C@H]1CCN(c2cc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ncn2)C1 ZINC000575849798 447911103 /nfs/dbraw/zinc/91/11/03/447911103.db2.gz KZVSFKAHCQVQGQ-MGLUKCQKSA-N 2 1 331.464 1.721 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000569911691 447913910 /nfs/dbraw/zinc/91/39/10/447913910.db2.gz KVBXPLFRLWHTBQ-CABCVRRESA-N 2 1 341.415 1.358 20 0 EDADMP C[N@@H+](CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CCCCC1 ZINC000570330007 447987814 /nfs/dbraw/zinc/98/78/14/447987814.db2.gz RHTSUEUMCSSWPR-HNNXBMFYSA-N 2 1 348.495 1.415 20 0 EDADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000576222198 448003454 /nfs/dbraw/zinc/00/34/54/448003454.db2.gz RHTJRNBWZIXTIZ-IXDOHACOSA-N 2 1 347.507 1.623 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000496889794 448006672 /nfs/dbraw/zinc/00/66/72/448006672.db2.gz KBCPEYBFOLYQRK-DYVFJYSZSA-N 2 1 327.469 1.336 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000576403737 448045878 /nfs/dbraw/zinc/04/58/78/448045878.db2.gz XUSHWEHAZDRYSU-SJORKVTESA-N 3 1 336.524 1.297 20 0 EDADMP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000570676691 448048165 /nfs/dbraw/zinc/04/81/65/448048165.db2.gz UXHBZORTFDRXDI-HQSKLWIPSA-N 2 1 332.444 1.844 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000570451635 448017445 /nfs/dbraw/zinc/01/74/45/448017445.db2.gz WAZZYIXAJWGPEI-ZBFHGGJFSA-N 2 1 349.475 1.721 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000570451635 448017451 /nfs/dbraw/zinc/01/74/51/448017451.db2.gz WAZZYIXAJWGPEI-ZBFHGGJFSA-N 2 1 349.475 1.721 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)Nc2cccc3c2CC[NH2+]C3)CCCO1 ZINC000557033057 448177379 /nfs/dbraw/zinc/17/73/79/448177379.db2.gz VJPZXCJXKQOWNS-HNNXBMFYSA-N 2 1 346.475 1.955 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000571642636 448186609 /nfs/dbraw/zinc/18/66/09/448186609.db2.gz QLQWCLPOEVUSCX-SFHVURJKSA-N 2 1 334.464 1.639 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000571642636 448186614 /nfs/dbraw/zinc/18/66/14/448186614.db2.gz QLQWCLPOEVUSCX-SFHVURJKSA-N 2 1 334.464 1.639 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000571897543 448232245 /nfs/dbraw/zinc/23/22/45/448232245.db2.gz PMUNCNXIECCYDM-ROUUACIJSA-N 2 1 346.475 1.281 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)C2)CC1 ZINC000514904786 448220884 /nfs/dbraw/zinc/22/08/84/448220884.db2.gz MVJWYOFTHRRIQT-QZTJIDSGSA-N 2 1 334.508 1.240 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cnn(C)c3C)CC2)CC1 ZINC000516035137 448370811 /nfs/dbraw/zinc/37/08/11/448370811.db2.gz PNVFZUGHRSXRKE-UHFFFAOYSA-N 2 1 347.507 1.541 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000572285702 448336798 /nfs/dbraw/zinc/33/67/98/448336798.db2.gz ASKLNQFTCRRGMN-ROUUACIJSA-N 2 1 344.507 1.335 20 0 EDADMP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)n1ccnc1 ZINC000516185411 448394393 /nfs/dbraw/zinc/39/43/93/448394393.db2.gz AJUDEDUJRWRMDI-AWEZNQCLSA-N 2 1 328.420 1.620 20 0 EDADMP C[C@H](c1ccc(NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1)[NH+]1CCOCC1 ZINC000516258623 448404522 /nfs/dbraw/zinc/40/45/22/448404522.db2.gz VZEYCCUFBBKPHC-PBHICJAKSA-N 2 1 348.447 1.190 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCSc3ccc(Cl)cc3)CCN2C1=O ZINC000583034911 448409279 /nfs/dbraw/zinc/40/92/79/448409279.db2.gz LDRHSFVICHMEFA-TZMCWYRMSA-N 2 1 325.865 1.676 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCSc3ccc(Cl)cc3)CCN2C1=O ZINC000583034911 448409284 /nfs/dbraw/zinc/40/92/84/448409284.db2.gz LDRHSFVICHMEFA-TZMCWYRMSA-N 2 1 325.865 1.676 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)CO[C@@H]1CCCc2ccccc21 ZINC000566232815 448423908 /nfs/dbraw/zinc/42/39/08/448423908.db2.gz CWGQCVHITKXZCS-QWFCFKBJSA-N 2 1 348.487 1.488 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000516465369 448424363 /nfs/dbraw/zinc/42/43/63/448424363.db2.gz GSFIAFHVLKBCKU-LBPRGKRZSA-N 2 1 347.385 1.028 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CCN(C(=O)CC(F)(F)C[NH3+])CC2)C[C@H](C)O1 ZINC000566407163 448462140 /nfs/dbraw/zinc/46/21/40/448462140.db2.gz LGDSETDZLDVYMW-BETUJISGSA-N 2 1 333.423 1.318 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)CC(F)(F)C[NH3+])CC2)C[C@H](C)O1 ZINC000566407163 448462143 /nfs/dbraw/zinc/46/21/43/448462143.db2.gz LGDSETDZLDVYMW-BETUJISGSA-N 2 1 333.423 1.318 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C[N@@H+]1CCO ZINC000572780834 448464116 /nfs/dbraw/zinc/46/41/16/448464116.db2.gz WPTNQKZEGXUPGW-ZIFCJYIRSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C[N@H+]1CCO ZINC000572780834 448464121 /nfs/dbraw/zinc/46/41/21/448464121.db2.gz WPTNQKZEGXUPGW-ZIFCJYIRSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C[NH+]1CCO ZINC000572780834 448464124 /nfs/dbraw/zinc/46/41/24/448464124.db2.gz WPTNQKZEGXUPGW-ZIFCJYIRSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C[NH+]1CCO ZINC000572780834 448464129 /nfs/dbraw/zinc/46/41/29/448464129.db2.gz WPTNQKZEGXUPGW-ZIFCJYIRSA-N 2 1 345.487 1.422 20 0 EDADMP O=C(C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1)Nc1ccc(F)cc1 ZINC000566673156 448533372 /nfs/dbraw/zinc/53/33/72/448533372.db2.gz XYOOYPQRJZCHNM-UHFFFAOYSA-N 2 1 343.406 1.901 20 0 EDADMP C[C@@H](Cn1cc(Br)ccc1=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000517326936 448571753 /nfs/dbraw/zinc/57/17/53/448571753.db2.gz YHTZXWURJUJUHE-OLZOCXBDSA-N 2 1 342.281 1.931 20 0 EDADMP C[C@@H](Cn1cc(Br)ccc1=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000517326936 448571757 /nfs/dbraw/zinc/57/17/57/448571757.db2.gz YHTZXWURJUJUHE-OLZOCXBDSA-N 2 1 342.281 1.931 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1ccsc1 ZINC000573414162 448617984 /nfs/dbraw/zinc/61/79/84/448617984.db2.gz BLZFCBCGVYGMLW-DOMZBBRYSA-N 2 1 333.461 1.931 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000567124767 448618668 /nfs/dbraw/zinc/61/86/68/448618668.db2.gz RIMQXVDUFSUOCO-YPMHNXCESA-N 2 1 329.322 1.329 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000567124767 448618670 /nfs/dbraw/zinc/61/86/70/448618670.db2.gz RIMQXVDUFSUOCO-YPMHNXCESA-N 2 1 329.322 1.329 20 0 EDADMP CN(C)C(=O)Cc1nc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cs1 ZINC000566922543 448586595 /nfs/dbraw/zinc/58/65/95/448586595.db2.gz PCDLPAIFQQBEDW-GFCCVEGCSA-N 2 1 333.461 1.497 20 0 EDADMP CN(C)C(=O)Cc1nc(C[N@H+]2CC[C@@H](c3nccn3C)C2)cs1 ZINC000566922543 448586608 /nfs/dbraw/zinc/58/66/08/448586608.db2.gz PCDLPAIFQQBEDW-GFCCVEGCSA-N 2 1 333.461 1.497 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000578627382 448596895 /nfs/dbraw/zinc/59/68/95/448596895.db2.gz VFIBAVQZYCLMLA-DZGCQCFKSA-N 2 1 333.432 1.149 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000578627382 448596898 /nfs/dbraw/zinc/59/68/98/448596898.db2.gz VFIBAVQZYCLMLA-DZGCQCFKSA-N 2 1 333.432 1.149 20 0 EDADMP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000528708653 448638473 /nfs/dbraw/zinc/63/84/73/448638473.db2.gz SRKITMYLRYRAGK-INIZCTEOSA-N 2 1 348.447 1.137 20 0 EDADMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000518031042 448640038 /nfs/dbraw/zinc/64/00/38/448640038.db2.gz JQEIRQQGTGGTQO-BZUAXINKSA-N 2 1 331.464 1.714 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000518031042 448640043 /nfs/dbraw/zinc/64/00/43/448640043.db2.gz JQEIRQQGTGGTQO-BZUAXINKSA-N 2 1 331.464 1.714 20 0 EDADMP C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000518527986 448688452 /nfs/dbraw/zinc/68/84/52/448688452.db2.gz NBZFCGSVDWZLJT-SCTDSRPQSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000518527986 448688457 /nfs/dbraw/zinc/68/84/57/448688457.db2.gz NBZFCGSVDWZLJT-SCTDSRPQSA-N 2 1 345.487 1.782 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCN(S(=O)(=O)CC)CC2)[C@H](C)C1 ZINC000541768439 448691584 /nfs/dbraw/zinc/69/15/84/448691584.db2.gz OVDXJJKYXDVQJX-ZBFHGGJFSA-N 2 1 331.526 1.368 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NC3C4CC5CC(C4)CC3C5)C[C@@H]21 ZINC000573848275 448729556 /nfs/dbraw/zinc/72/95/56/448729556.db2.gz XQIKXNXIORXLBX-DAHHOXEWSA-N 2 1 331.504 1.987 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NC3C4CC5CC(C4)CC3C5)C[C@@H]21 ZINC000573848275 448729559 /nfs/dbraw/zinc/72/95/59/448729559.db2.gz XQIKXNXIORXLBX-DAHHOXEWSA-N 2 1 331.504 1.987 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H]3CCCOC3)CC2)CC1 ZINC000579257045 448756317 /nfs/dbraw/zinc/75/63/17/448756317.db2.gz MZDKVYNKVLOIQS-SFHVURJKSA-N 2 1 337.508 1.820 20 0 EDADMP O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]12 ZINC000574049190 448779889 /nfs/dbraw/zinc/77/98/89/448779889.db2.gz HHNRCNCUJRYXLE-CALCHBBNSA-N 2 1 327.428 1.377 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000519548026 448783996 /nfs/dbraw/zinc/78/39/96/448783996.db2.gz OLMNFUVSNZJKOS-NJAFHUGGSA-N 2 1 345.487 1.641 20 0 EDADMP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000519551934 448785316 /nfs/dbraw/zinc/78/53/16/448785316.db2.gz VIHKVWOMEUUZFV-SJORKVTESA-N 2 1 336.476 1.596 20 0 EDADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000545300788 448787017 /nfs/dbraw/zinc/78/70/17/448787017.db2.gz ZUUDRQJSMXNUIG-CABCVRRESA-N 2 1 329.444 1.993 20 0 EDADMP C[C@@H](CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[N@@H+](C)C1CC1 ZINC000529309867 448817556 /nfs/dbraw/zinc/81/75/56/448817556.db2.gz YQZWDGPIFDWZAD-YOEHRIQHSA-N 2 1 338.496 1.269 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000568191473 448832001 /nfs/dbraw/zinc/83/20/01/448832001.db2.gz JALRMPYWCIURQH-CVEARBPZSA-N 2 1 341.521 1.041 20 0 EDADMP COc1cc(F)c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000574406283 448866915 /nfs/dbraw/zinc/86/69/15/448866915.db2.gz RQJGEMDHLCIATR-UHFFFAOYSA-N 2 1 339.455 1.959 20 0 EDADMP C[C@H](NC(=O)c1cnccc1N)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000568399562 448868819 /nfs/dbraw/zinc/86/88/19/448868819.db2.gz SSPWJIHVXZHBKN-KBXCAEBGSA-N 2 1 340.427 1.513 20 0 EDADMP CC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(C)(C)O ZINC000574415212 448870945 /nfs/dbraw/zinc/87/09/45/448870945.db2.gz VSITYEBZBFRVNQ-KRWDZBQOSA-N 2 1 339.524 1.848 20 0 EDADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000574452493 448877026 /nfs/dbraw/zinc/87/70/26/448877026.db2.gz ACOBTMIMOCIANP-JKSUJKDBSA-N 2 1 342.505 1.308 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)CC1([NH3+])CCC1 ZINC000592558641 448900550 /nfs/dbraw/zinc/90/05/50/448900550.db2.gz LHOLIVVTSFXLQJ-OAHLLOKOSA-N 2 1 339.480 1.524 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000521039761 448949186 /nfs/dbraw/zinc/94/91/86/448949186.db2.gz OLSWUHQFAWJSLJ-QGZVFWFLSA-N 2 1 346.475 1.089 20 0 EDADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000529817681 448970169 /nfs/dbraw/zinc/97/01/69/448970169.db2.gz VHPPWSDKVHUGIU-UHFFFAOYSA-N 2 1 329.404 1.122 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000529830468 448975330 /nfs/dbraw/zinc/97/53/30/448975330.db2.gz GIEJHVMNYHAIOL-FUHWJXTLSA-N 2 1 333.476 1.972 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000529830468 448975337 /nfs/dbraw/zinc/97/53/37/448975337.db2.gz GIEJHVMNYHAIOL-FUHWJXTLSA-N 2 1 333.476 1.972 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592961575 449084842 /nfs/dbraw/zinc/08/48/42/449084842.db2.gz OYKSVEKDYSNUNU-ARFHVFGLSA-N 2 1 345.491 1.808 20 0 EDADMP CC[NH+](CC)CC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000522171963 449058369 /nfs/dbraw/zinc/05/83/69/449058369.db2.gz YTWILIXPIQTPDM-OAHLLOKOSA-N 2 1 338.521 1.495 20 0 EDADMP O=C(CC[N@H+]1CCc2cccc(C(F)(F)F)c2C1)N1CC[NH2+]CC1 ZINC000530233970 449089589 /nfs/dbraw/zinc/08/95/89/449089589.db2.gz KHXIMZSVQHHCJK-UHFFFAOYSA-N 2 1 341.377 1.885 20 0 EDADMP COC(=O)[C@H]1C[C@@H]([NH+](C)CC(C)C[N@H+](C)[C@H]2C[C@@H](C(=O)OC)C2)C1 ZINC000595849406 449205681 /nfs/dbraw/zinc/20/56/81/449205681.db2.gz KNFZJCPFMBCCQU-RUPPMWDTSA-N 2 1 340.464 1.389 20 0 EDADMP COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595893085 449237477 /nfs/dbraw/zinc/23/74/77/449237477.db2.gz OVUMDEMKDUVJRY-WBVHZDCISA-N 2 1 332.444 1.819 20 0 EDADMP Nc1ccc(-c2cccc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)n2)cc1 ZINC000602018959 449278479 /nfs/dbraw/zinc/27/84/79/449278479.db2.gz CRVAALYBRCGXPT-IAGOWNOFSA-N 2 1 337.427 1.075 20 0 EDADMP Nc1ccc(-c2cccc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)n2)cc1 ZINC000602018959 449278486 /nfs/dbraw/zinc/27/84/86/449278486.db2.gz CRVAALYBRCGXPT-IAGOWNOFSA-N 2 1 337.427 1.075 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000602441474 449588542 /nfs/dbraw/zinc/58/85/42/449588542.db2.gz RCGMAAOWLMZEOA-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000602441474 449588544 /nfs/dbraw/zinc/58/85/44/449588544.db2.gz RCGMAAOWLMZEOA-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP COC(=O)[C@H](C)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000602457108 449603752 /nfs/dbraw/zinc/60/37/52/449603752.db2.gz ZCBPEAGQQBNNJE-OAHLLOKOSA-N 2 1 347.459 1.295 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C1CCOCC1 ZINC000602481629 449625806 /nfs/dbraw/zinc/62/58/06/449625806.db2.gz HCYQPGHFYKDFBQ-RTBURBONSA-N 2 1 339.524 1.528 20 0 EDADMP COc1cc(CNC(=O)[C@@H]2CCCC[N@H+]2C)ccc1OCC[NH+](C)C ZINC000600974405 449626997 /nfs/dbraw/zinc/62/69/97/449626997.db2.gz IIEUUBIJYNXKSV-INIZCTEOSA-N 2 1 349.475 1.736 20 0 EDADMP CNC(=O)c1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000617505810 449653105 /nfs/dbraw/zinc/65/31/05/449653105.db2.gz QVZXDZZHYIEFTC-AWEZNQCLSA-N 2 1 334.464 1.048 20 0 EDADMP CNC(=O)c1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617505810 449653110 /nfs/dbraw/zinc/65/31/10/449653110.db2.gz QVZXDZZHYIEFTC-AWEZNQCLSA-N 2 1 334.464 1.048 20 0 EDADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594738102 449657737 /nfs/dbraw/zinc/65/77/37/449657737.db2.gz HCELZPQCJZHJID-KBPBESRZSA-N 2 1 327.350 1.758 20 0 EDADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594738102 449657742 /nfs/dbraw/zinc/65/77/42/449657742.db2.gz HCELZPQCJZHJID-KBPBESRZSA-N 2 1 327.350 1.758 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCc2cccc(O)c21 ZINC000617508188 449658878 /nfs/dbraw/zinc/65/88/78/449658878.db2.gz WPFUIOPMMNIBRS-HOCLYGCPSA-N 2 1 333.476 1.810 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCc2cccc(O)c21 ZINC000617508188 449658880 /nfs/dbraw/zinc/65/88/80/449658880.db2.gz WPFUIOPMMNIBRS-HOCLYGCPSA-N 2 1 333.476 1.810 20 0 EDADMP COC(=O)c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)[nH]c1C ZINC000602553812 449671391 /nfs/dbraw/zinc/67/13/91/449671391.db2.gz VJHSZXSDICXPHG-AWEZNQCLSA-N 2 1 335.448 1.700 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000602508017 449639333 /nfs/dbraw/zinc/63/93/33/449639333.db2.gz YSWJBGVPFCQNNG-JKSUJKDBSA-N 2 1 337.464 1.300 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ncnc2sccc21 ZINC000617502488 449644931 /nfs/dbraw/zinc/64/49/31/449644931.db2.gz REFACOQWBAHPNY-LBPRGKRZSA-N 2 1 335.477 1.693 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ncnc2sccc21 ZINC000617502488 449644936 /nfs/dbraw/zinc/64/49/36/449644936.db2.gz REFACOQWBAHPNY-LBPRGKRZSA-N 2 1 335.477 1.693 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000617765907 449829434 /nfs/dbraw/zinc/82/94/34/449829434.db2.gz VOWQDMAIAMFFJC-QGZVFWFLSA-N 2 1 338.540 1.641 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC000601275030 449791975 /nfs/dbraw/zinc/79/19/75/449791975.db2.gz DPTJNWXMXNJRJI-HNNXBMFYSA-N 2 1 340.512 1.253 20 0 EDADMP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000617886964 449902241 /nfs/dbraw/zinc/90/22/41/449902241.db2.gz DPBWXKIOSTXZRV-QGZVFWFLSA-N 2 1 346.475 1.677 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000613209751 450080638 /nfs/dbraw/zinc/08/06/38/450080638.db2.gz HABXUHPUBPEIPG-BHIYHBOVSA-N 2 1 342.487 1.043 20 0 EDADMP COC(=O)CCN1CCC[C@@H]([N@H+]2CCC[C@@H](c3ncc[nH]3)C2)C1=O ZINC000595377173 450091038 /nfs/dbraw/zinc/09/10/38/450091038.db2.gz LJDOPKVSIIFBAH-ZIAGYGMSSA-N 2 1 334.420 1.143 20 0 EDADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000599657714 450133045 /nfs/dbraw/zinc/13/30/45/450133045.db2.gz LJAOUNQVXNQMAN-AWEZNQCLSA-N 2 1 346.475 1.947 20 0 EDADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000618947938 450354113 /nfs/dbraw/zinc/35/41/13/450354113.db2.gz ICPCSAUEXWVAAH-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000618947938 450354116 /nfs/dbraw/zinc/35/41/16/450354116.db2.gz ICPCSAUEXWVAAH-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000619969515 450387496 /nfs/dbraw/zinc/38/74/96/450387496.db2.gz QMWGUUVIDOGZNO-IAGOWNOFSA-N 2 1 335.492 1.478 20 0 EDADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620480603 450500063 /nfs/dbraw/zinc/50/00/63/450500063.db2.gz HAQXMTVJQLAUBZ-ROUUACIJSA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000620480603 450500067 /nfs/dbraw/zinc/50/00/67/450500067.db2.gz HAQXMTVJQLAUBZ-ROUUACIJSA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000620480603 450500071 /nfs/dbraw/zinc/50/00/71/450500071.db2.gz HAQXMTVJQLAUBZ-ROUUACIJSA-N 2 1 335.492 1.451 20 0 EDADMP CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623372528 450507683 /nfs/dbraw/zinc/50/76/83/450507683.db2.gz YNWARXLWUWAPEC-INIZCTEOSA-N 2 1 339.505 1.698 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1(C)C ZINC000623395277 450513373 /nfs/dbraw/zinc/51/33/73/450513373.db2.gz FJAQFCOXVAZESE-HNAYVOBHSA-N 2 1 344.459 1.704 20 0 EDADMP Cc1cc(NCCNC(=O)N[C@@H]2CCC[N@@H+](C)C2)nc(C(C)C)n1 ZINC000623716993 450571001 /nfs/dbraw/zinc/57/10/01/450571001.db2.gz FVQSVRXRVINYFM-CQSZACIVSA-N 2 1 334.468 1.714 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NCC[NH+](C)C(C)C)cc1 ZINC000623573752 450545759 /nfs/dbraw/zinc/54/57/59/450545759.db2.gz UHWPFVUTUKUVOM-QGZVFWFLSA-N 2 1 348.491 1.909 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NCC[NH+](C)C(C)C)cc1 ZINC000623573752 450545760 /nfs/dbraw/zinc/54/57/60/450545760.db2.gz UHWPFVUTUKUVOM-QGZVFWFLSA-N 2 1 348.491 1.909 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000623573752 450545762 /nfs/dbraw/zinc/54/57/62/450545762.db2.gz UHWPFVUTUKUVOM-QGZVFWFLSA-N 2 1 348.491 1.909 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000623573752 450545765 /nfs/dbraw/zinc/54/57/65/450545765.db2.gz UHWPFVUTUKUVOM-QGZVFWFLSA-N 2 1 348.491 1.909 20 0 EDADMP CN1C2(CCC2)COC[C@]1(CO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623617068 450552343 /nfs/dbraw/zinc/55/23/43/450552343.db2.gz WGXADQFPHBYBSP-CRAIPNDOSA-N 2 1 325.497 1.065 20 0 EDADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620917164 450561331 /nfs/dbraw/zinc/56/13/31/450561331.db2.gz BYYULWRVGDGAMG-GDBMZVCRSA-N 2 1 334.464 1.690 20 0 EDADMP C[N@@H+](CC(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCSC1 ZINC000620932489 450563574 /nfs/dbraw/zinc/56/35/74/450563574.db2.gz AGAAKEPKORAHAE-MRXNPFEDSA-N 2 1 325.522 1.662 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)[NH+]1CCSCC1 ZINC000621107552 450581906 /nfs/dbraw/zinc/58/19/06/450581906.db2.gz IHMDSFDZDVJUHH-HOCLYGCPSA-N 2 1 325.522 1.662 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[NH+]1CCSCC1 ZINC000621107552 450581908 /nfs/dbraw/zinc/58/19/08/450581908.db2.gz IHMDSFDZDVJUHH-HOCLYGCPSA-N 2 1 325.522 1.662 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000627310817 450639416 /nfs/dbraw/zinc/63/94/16/450639416.db2.gz DAMJIUQZYYBGFX-RHSMWYFYSA-N 2 1 346.475 1.011 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627338880 450657861 /nfs/dbraw/zinc/65/78/61/450657861.db2.gz SJORSXHTUFXXTQ-WMLDXEAASA-N 2 1 346.475 1.010 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1CO ZINC000621372344 450705886 /nfs/dbraw/zinc/70/58/86/450705886.db2.gz UEVZGKXULOTLGU-KBAYOESNSA-N 2 1 333.476 1.356 20 0 EDADMP O=S(=O)(CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccn1 ZINC000629544578 450729353 /nfs/dbraw/zinc/72/93/53/450729353.db2.gz JLNGKCSOCFJJCM-INIZCTEOSA-N 2 1 337.489 1.567 20 0 EDADMP O=S(=O)(CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccn1 ZINC000629544578 450729360 /nfs/dbraw/zinc/72/93/60/450729360.db2.gz JLNGKCSOCFJJCM-INIZCTEOSA-N 2 1 337.489 1.567 20 0 EDADMP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1OCC(=O)N(C)C ZINC000629522396 450725308 /nfs/dbraw/zinc/72/53/08/450725308.db2.gz ZBJXHDKKOVLJQO-MRXNPFEDSA-N 2 1 349.475 1.702 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000631726410 450736250 /nfs/dbraw/zinc/73/62/50/450736250.db2.gz CRKVXRLKZASYSK-UHFFFAOYSA-N 2 1 339.505 1.306 20 0 EDADMP Cn1c2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2oc1=O ZINC000624205375 450746593 /nfs/dbraw/zinc/74/65/93/450746593.db2.gz AGFKJBCSNOGUNC-INIZCTEOSA-N 2 1 345.443 1.865 20 0 EDADMP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+](C)CCOCC[NH3+] ZINC000629580852 450747831 /nfs/dbraw/zinc/74/78/31/450747831.db2.gz ZUAOQABARNXXTC-CQSZACIVSA-N 2 1 348.447 1.048 20 0 EDADMP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000629580852 450747836 /nfs/dbraw/zinc/74/78/36/450747836.db2.gz ZUAOQABARNXXTC-CQSZACIVSA-N 2 1 348.447 1.048 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)[C@H](C)C1 ZINC000624266689 450771247 /nfs/dbraw/zinc/77/12/47/450771247.db2.gz SWJFNVXKEFDOGE-QRQLOZEOSA-N 2 1 332.492 1.602 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841158 450810394 /nfs/dbraw/zinc/81/03/94/450810394.db2.gz YXRHVCDQQCJFPF-IXDOHACOSA-N 2 1 330.476 1.250 20 0 EDADMP Cc1ccc([C@H](CNS(=O)(=O)CCC[NH+](C)C)[NH+]2CCCC2)o1 ZINC000631876313 450839815 /nfs/dbraw/zinc/83/98/15/450839815.db2.gz IRNFURQSKOTSDK-HNNXBMFYSA-N 2 1 343.493 1.596 20 0 EDADMP Cc1nccnc1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000631830575 450801961 /nfs/dbraw/zinc/80/19/61/450801961.db2.gz WDAMMKUGNGJCJK-OAHLLOKOSA-N 2 1 341.463 1.297 20 0 EDADMP Cc1nccnc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000631830574 450802164 /nfs/dbraw/zinc/80/21/64/450802164.db2.gz WDAMMKUGNGJCJK-HNNXBMFYSA-N 2 1 341.463 1.297 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888177 450850843 /nfs/dbraw/zinc/85/08/43/450850843.db2.gz WTEUOLCSHFSDGF-WMLDXEAASA-N 2 1 327.428 1.747 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3CCCC[NH+](C)C3)cc2C1 ZINC000627827838 450962390 /nfs/dbraw/zinc/96/23/90/450962390.db2.gz KBFMUMILYVGHDE-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3CCCC[NH+](C)C3)cc2C1 ZINC000627827838 450962396 /nfs/dbraw/zinc/96/23/96/450962396.db2.gz KBFMUMILYVGHDE-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3CCCC[N@H+](C)C3)cc2C1 ZINC000627827838 450962400 /nfs/dbraw/zinc/96/24/00/450962400.db2.gz KBFMUMILYVGHDE-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3CCCC[N@@H+](C)C3)cc2C1 ZINC000627827838 450962405 /nfs/dbraw/zinc/96/24/05/450962405.db2.gz KBFMUMILYVGHDE-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC000626928176 451011859 /nfs/dbraw/zinc/01/18/59/451011859.db2.gz NUBRELGKWPMNJZ-APIJFGDWSA-N 2 1 326.485 1.314 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC000626928176 451011862 /nfs/dbraw/zinc/01/18/62/451011862.db2.gz NUBRELGKWPMNJZ-APIJFGDWSA-N 2 1 326.485 1.314 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000626946151 451025816 /nfs/dbraw/zinc/02/58/16/451025816.db2.gz MDBYLFQBHPIFEK-DOTOQJQBSA-N 2 1 334.464 1.357 20 0 EDADMP C[N@@H+](CCNC(=O)NC1(C[NH3+])CCOCC1)Cc1ccc(F)cc1 ZINC000626993999 451059318 /nfs/dbraw/zinc/05/93/18/451059318.db2.gz SUFWYVQGSUUWGS-UHFFFAOYSA-N 2 1 338.427 1.065 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000635572589 451071402 /nfs/dbraw/zinc/07/14/02/451071402.db2.gz MFBKAMYJQKYPBS-BBWFWOEESA-N 2 1 325.497 1.581 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](C)C1 ZINC000635572589 451071407 /nfs/dbraw/zinc/07/14/07/451071407.db2.gz MFBKAMYJQKYPBS-BBWFWOEESA-N 2 1 325.497 1.581 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](C)C1 ZINC000635572589 451071413 /nfs/dbraw/zinc/07/14/13/451071413.db2.gz MFBKAMYJQKYPBS-BBWFWOEESA-N 2 1 325.497 1.581 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000627012725 451076788 /nfs/dbraw/zinc/07/67/88/451076788.db2.gz HHMJGWJKRLZYDG-WBVHZDCISA-N 2 1 334.464 1.124 20 0 EDADMP Cc1ccc(CNC(=O)NCCOCCC[NH3+])c(N2CCCC2)[nH+]1 ZINC000627012334 451077447 /nfs/dbraw/zinc/07/74/47/451077447.db2.gz YISMFXLIQHOTDN-UHFFFAOYSA-N 2 1 335.452 1.155 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000627158614 451154617 /nfs/dbraw/zinc/15/46/17/451154617.db2.gz ZPLKAFSOYKZTGU-FGTMMUONSA-N 2 1 330.476 1.695 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000627158614 451154621 /nfs/dbraw/zinc/15/46/21/451154621.db2.gz ZPLKAFSOYKZTGU-FGTMMUONSA-N 2 1 330.476 1.695 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(C2CC2)nn1 ZINC000625025064 451118111 /nfs/dbraw/zinc/11/81/11/451118111.db2.gz KSXNCZXKDBURFL-OAHLLOKOSA-N 2 1 334.468 1.101 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC[N@@H+]1CCOC ZINC000635753223 451220256 /nfs/dbraw/zinc/22/02/56/451220256.db2.gz PGQHHSKGEKTNIR-ROUUACIJSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC[N@H+]1CCOC ZINC000635753223 451220260 /nfs/dbraw/zinc/22/02/60/451220260.db2.gz PGQHHSKGEKTNIR-ROUUACIJSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1CCOC ZINC000635753223 451220266 /nfs/dbraw/zinc/22/02/66/451220266.db2.gz PGQHHSKGEKTNIR-ROUUACIJSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC[NH+]1CCOC ZINC000635753223 451220271 /nfs/dbraw/zinc/22/02/71/451220271.db2.gz PGQHHSKGEKTNIR-ROUUACIJSA-N 2 1 337.508 1.963 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)CC(C)(C)C ZINC000635704383 451184409 /nfs/dbraw/zinc/18/44/09/451184409.db2.gz HTUKEMWVYWJNMW-IRXDYDNUSA-N 2 1 339.524 1.848 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)cn2)CC1 ZINC000628422779 451248654 /nfs/dbraw/zinc/24/86/54/451248654.db2.gz KJHLOJOOOGDXPY-CVEARBPZSA-N 2 1 333.505 1.698 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)cn2)CC1 ZINC000628422779 451248659 /nfs/dbraw/zinc/24/86/59/451248659.db2.gz KJHLOJOOOGDXPY-CVEARBPZSA-N 2 1 333.505 1.698 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000638086241 451252479 /nfs/dbraw/zinc/25/24/79/451252479.db2.gz QOKSMKKKFYFSDM-HKUYNNGSSA-N 2 1 346.519 1.682 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638096964 451261552 /nfs/dbraw/zinc/26/15/52/451261552.db2.gz OQGDTXOSHUCDCO-MNOVXSKESA-N 2 1 344.410 1.210 20 0 EDADMP CC1(C)CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638101591 451267799 /nfs/dbraw/zinc/26/77/99/451267799.db2.gz PUVREHSIPCLQDT-LJQANCHMSA-N 2 1 331.460 1.488 20 0 EDADMP CC1(C)CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638101591 451267802 /nfs/dbraw/zinc/26/78/02/451267802.db2.gz PUVREHSIPCLQDT-LJQANCHMSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+](C)CCC[N@H+](C)CCn1cc(Cn2cc(Cl)cn2)nn1 ZINC000630612868 451277293 /nfs/dbraw/zinc/27/72/93/451277293.db2.gz ZQEIFSQUHDJQIF-UHFFFAOYSA-N 2 1 325.848 1.060 20 0 EDADMP C[NH+](C)CCC[N@@H+](C)CCn1cc(Cn2cc(Cl)cn2)nn1 ZINC000630612868 451277297 /nfs/dbraw/zinc/27/72/97/451277297.db2.gz ZQEIFSQUHDJQIF-UHFFFAOYSA-N 2 1 325.848 1.060 20 0 EDADMP c1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc2c1OCCO2 ZINC000638126535 451297051 /nfs/dbraw/zinc/29/70/51/451297051.db2.gz WVHFCXMAXASYDF-UHFFFAOYSA-N 2 1 347.459 1.930 20 0 EDADMP C[C@H]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000638129581 451300236 /nfs/dbraw/zinc/30/02/36/451300236.db2.gz BWWFCGYTGJKIEC-PXNSSMCTSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)N2CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638137886 451313792 /nfs/dbraw/zinc/31/37/92/451313792.db2.gz PUEFJKUXWNKROO-ROUUACIJSA-N 2 1 338.540 1.055 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638120033 451288079 /nfs/dbraw/zinc/28/80/79/451288079.db2.gz CMURDFVFKHJVFA-UHFFFAOYSA-N 2 1 345.487 1.444 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000640520341 451370599 /nfs/dbraw/zinc/37/05/99/451370599.db2.gz QEWMAMARPUSSLP-RBSFLKMASA-N 2 1 325.497 1.769 20 0 EDADMP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000635899287 451342603 /nfs/dbraw/zinc/34/26/03/451342603.db2.gz JZXONBMNSUFCCF-WMZOPIPTSA-N 2 1 335.492 1.574 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ncc3ccccn32)CC1 ZINC000630809982 451414694 /nfs/dbraw/zinc/41/46/94/451414694.db2.gz KCKHEQZPCXXBMY-UHFFFAOYSA-N 2 1 336.399 1.733 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000638350256 451451383 /nfs/dbraw/zinc/45/13/83/451451383.db2.gz FEDWESUFMHXIOM-ROUUACIJSA-N 2 1 338.455 1.362 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCC1(O)CCC1 ZINC000630879416 451457414 /nfs/dbraw/zinc/45/74/14/451457414.db2.gz JTDHKPQJSOLJNO-INIZCTEOSA-N 2 1 325.497 1.556 20 0 EDADMP CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000638358544 451458605 /nfs/dbraw/zinc/45/86/05/451458605.db2.gz FEGWEGQTTBAEHJ-ZDUSSCGKSA-N 2 1 329.510 1.311 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640613871 451460735 /nfs/dbraw/zinc/46/07/35/451460735.db2.gz GMRBTMYDCJZECY-UHFFFAOYSA-N 2 1 349.479 1.766 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccn1 ZINC000640618014 451465912 /nfs/dbraw/zinc/46/59/12/451465912.db2.gz AUAUQNITXFMKAU-KRWDZBQOSA-N 2 1 347.463 1.206 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)ccn1 ZINC000640618014 451465914 /nfs/dbraw/zinc/46/59/14/451465914.db2.gz AUAUQNITXFMKAU-KRWDZBQOSA-N 2 1 347.463 1.206 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000638367944 451467323 /nfs/dbraw/zinc/46/73/23/451467323.db2.gz RKNWMTOZRJKRIW-PNYFIKQUSA-N 2 1 343.471 1.486 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634699263 451472353 /nfs/dbraw/zinc/47/23/53/451472353.db2.gz HEIJQBBAUBPCAX-FGTMMUONSA-N 2 1 342.524 1.627 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000638387536 451481193 /nfs/dbraw/zinc/48/11/93/451481193.db2.gz XEVMQWCDMUDCNM-JYJNAYRXSA-N 2 1 334.464 1.751 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)[C@@H]1CC[NH3+] ZINC000638391720 451481694 /nfs/dbraw/zinc/48/16/94/451481694.db2.gz YVOHJICOEKXWHJ-KBAYOESNSA-N 2 1 332.492 1.422 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)[C@@H]1CC[NH3+] ZINC000638391720 451481698 /nfs/dbraw/zinc/48/16/98/451481698.db2.gz YVOHJICOEKXWHJ-KBAYOESNSA-N 2 1 332.492 1.422 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000638405003 451492220 /nfs/dbraw/zinc/49/22/20/451492220.db2.gz SLERXLUDZVFXFU-DLBZAZTESA-N 2 1 332.492 1.435 20 0 EDADMP CO[C@@]1(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CCOC1 ZINC000638421705 451505387 /nfs/dbraw/zinc/50/53/87/451505387.db2.gz ZFIIGNWSJSYRDZ-QFBILLFUSA-N 2 1 334.460 1.802 20 0 EDADMP CO[C@@]1(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CCOC1 ZINC000638421705 451505391 /nfs/dbraw/zinc/50/53/91/451505391.db2.gz ZFIIGNWSJSYRDZ-QFBILLFUSA-N 2 1 334.460 1.802 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000636096444 451513928 /nfs/dbraw/zinc/51/39/28/451513928.db2.gz YRZQVFJYEUZLIV-DZVNLGKHSA-N 2 1 337.508 1.863 20 0 EDADMP COCC[NH2+]CC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000638513485 451554363 /nfs/dbraw/zinc/55/43/63/451554363.db2.gz MQUTWAHIKSDIRG-GOSISDBHSA-N 2 1 333.476 1.591 20 0 EDADMP COc1ccc(OCCn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000640796476 451589267 /nfs/dbraw/zinc/58/92/67/451589267.db2.gz DUBYYRXUKNMPOV-UHFFFAOYSA-N 2 1 345.447 1.331 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCNC(=O)CC3)c2)CCO1 ZINC000634955322 451622810 /nfs/dbraw/zinc/62/28/10/451622810.db2.gz FAIVUJXDNOSGSL-CRAIPNDOSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCNC(=O)CC3)c2)CCO1 ZINC000634955322 451622817 /nfs/dbraw/zinc/62/28/17/451622817.db2.gz FAIVUJXDNOSGSL-CRAIPNDOSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000632904851 451642408 /nfs/dbraw/zinc/64/24/08/451642408.db2.gz NKIICVALBZNRHM-NVXWUHKLSA-N 2 1 346.475 1.620 20 0 EDADMP C[C@H](c1nc(C(C)(C)C)no1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640935773 451697443 /nfs/dbraw/zinc/69/74/43/451697443.db2.gz AFXAGCOGAZBTCG-GFCCVEGCSA-N 2 1 347.467 1.534 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CCCCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000638820223 451701315 /nfs/dbraw/zinc/70/13/15/451701315.db2.gz SQIPXXWYACZLEX-IRXDYDNUSA-N 2 1 325.497 1.853 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000638834918 451705082 /nfs/dbraw/zinc/70/50/82/451705082.db2.gz IFFKSRAOOKTCIX-DOTOQJQBSA-N 2 1 331.460 1.249 20 0 EDADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000638929289 451738698 /nfs/dbraw/zinc/73/86/98/451738698.db2.gz FLUQDKGNEQGFRA-NKWVEPMBSA-N 2 1 330.251 1.676 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000637151132 451741456 /nfs/dbraw/zinc/74/14/56/451741456.db2.gz XPJDZCIHTUPMPA-NXHRZFHOSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC000637151132 451741457 /nfs/dbraw/zinc/74/14/57/451741457.db2.gz XPJDZCIHTUPMPA-NXHRZFHOSA-N 2 1 346.475 1.015 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cc(O)ccc3Cl)nn2)CC1 ZINC000641072014 451744985 /nfs/dbraw/zinc/74/49/85/451744985.db2.gz UQCFHPAXHIQHBW-UHFFFAOYSA-N 2 1 335.839 1.651 20 0 EDADMP CN(C(=O)NCC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000637167216 451746307 /nfs/dbraw/zinc/74/63/07/451746307.db2.gz ZIRQWOMBJBQWQK-GOSISDBHSA-N 2 1 330.476 1.902 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000644524121 451840488 /nfs/dbraw/zinc/84/04/88/451840488.db2.gz USWGDVVOTSUHQD-FGTMMUONSA-N 2 1 334.460 1.789 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1cn2c(n1)CCCC2 ZINC000644518572 451836844 /nfs/dbraw/zinc/83/68/44/451836844.db2.gz SQBBDBISXISWGH-LJQANCHMSA-N 2 1 342.487 1.844 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1cn2c(n1)CCCC2 ZINC000644518572 451836847 /nfs/dbraw/zinc/83/68/47/451836847.db2.gz SQBBDBISXISWGH-LJQANCHMSA-N 2 1 342.487 1.844 20 0 EDADMP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000649102761 451846944 /nfs/dbraw/zinc/84/69/44/451846944.db2.gz KHIBQZFPCSOFAG-KURKYZTESA-N 2 1 347.528 1.885 20 0 EDADMP C[NH+](CC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000649102761 451846949 /nfs/dbraw/zinc/84/69/49/451846949.db2.gz KHIBQZFPCSOFAG-KURKYZTESA-N 2 1 347.528 1.885 20 0 EDADMP C[NH+](CC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000649102761 451846955 /nfs/dbraw/zinc/84/69/55/451846955.db2.gz KHIBQZFPCSOFAG-KURKYZTESA-N 2 1 347.528 1.885 20 0 EDADMP O[C@@]1(CN2CC[NH+](C3CCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639488550 451897946 /nfs/dbraw/zinc/89/79/46/451897946.db2.gz JVCPMMJMTJOECW-HXUWFJFHSA-N 2 1 329.488 1.794 20 0 EDADMP CC(=O)N1CCC(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644547758 451854740 /nfs/dbraw/zinc/85/47/40/451854740.db2.gz OXYOUCCZUIDFAS-IBGZPJMESA-N 2 1 333.476 1.327 20 0 EDADMP CC(=O)N1CCC(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644547758 451854745 /nfs/dbraw/zinc/85/47/45/451854745.db2.gz OXYOUCCZUIDFAS-IBGZPJMESA-N 2 1 333.476 1.327 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CCO1 ZINC000646846777 451884174 /nfs/dbraw/zinc/88/41/74/451884174.db2.gz WFFXSQYKAYZPJT-GLQYFDAESA-N 2 1 325.840 1.517 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000646848283 451885406 /nfs/dbraw/zinc/88/54/06/451885406.db2.gz NUQOUBYYFFZYEC-RYQLBKOJSA-N 2 1 331.460 1.473 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642645156 451905468 /nfs/dbraw/zinc/90/54/68/451905468.db2.gz SPPAXQVCZZDETF-JKSUJKDBSA-N 2 1 338.496 1.016 20 0 EDADMP C[NH+]1CCC(CC(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)CC1 ZINC000644699939 451942430 /nfs/dbraw/zinc/94/24/30/451942430.db2.gz DUVJHLCWKLKMDY-GOSISDBHSA-N 2 1 331.460 1.924 20 0 EDADMP C[NH+](C)C1(CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000639575704 451953686 /nfs/dbraw/zinc/95/36/86/451953686.db2.gz MGCAZVHCGCBWLL-UHFFFAOYSA-N 2 1 346.475 1.777 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000649289941 451966201 /nfs/dbraw/zinc/96/62/01/451966201.db2.gz GVSJCIURGCSDOU-ZWKOTPCHSA-N 2 1 331.460 1.510 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cnn1C ZINC000649292850 451969578 /nfs/dbraw/zinc/96/95/78/451969578.db2.gz GOJSHPJHDZLEOI-ZZCKCESHSA-N 2 1 347.507 1.411 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cnn1C ZINC000649293327 451969911 /nfs/dbraw/zinc/96/99/11/451969911.db2.gz MDDACABQBICUSS-XKQJLSEDSA-N 2 1 333.480 1.022 20 0 EDADMP CCN(C(=O)C(=O)NC[C@H](C)[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000642907504 451984608 /nfs/dbraw/zinc/98/46/08/451984608.db2.gz ABJXBKMICDXSQP-ZMSDIMECSA-N 2 1 346.475 1.134 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)[N@H+]1CCc2ccccc2C1 ZINC000649311432 451989152 /nfs/dbraw/zinc/98/91/52/451989152.db2.gz QBBUHGOINPPQSV-BBRMVZONSA-N 2 1 337.414 1.794 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649331934 452013564 /nfs/dbraw/zinc/01/35/64/452013564.db2.gz IQROPNHTGHHBHS-ROUUACIJSA-N 2 1 331.460 1.203 20 0 EDADMP C[N@@H+]1C[C@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)[C@@H]2C1 ZINC000644824383 452014798 /nfs/dbraw/zinc/01/47/98/452014798.db2.gz VOZBZYWYPBMIDB-BXUZGUMPSA-N 2 1 347.369 1.981 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)[C@@H]2C1 ZINC000644824383 452014801 /nfs/dbraw/zinc/01/48/01/452014801.db2.gz VOZBZYWYPBMIDB-BXUZGUMPSA-N 2 1 347.369 1.981 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCC(C)(C)[NH3+] ZINC000649335445 452016609 /nfs/dbraw/zinc/01/66/09/452016609.db2.gz AGLGFTCJDPFHKR-OAHLLOKOSA-N 2 1 333.480 1.226 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682196 452021777 /nfs/dbraw/zinc/02/17/77/452021777.db2.gz MMDCGCKEVWPXCK-WBVHZDCISA-N 2 1 332.448 1.277 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682196 452021783 /nfs/dbraw/zinc/02/17/83/452021783.db2.gz MMDCGCKEVWPXCK-WBVHZDCISA-N 2 1 332.448 1.277 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COC1(C)C[NH2+]C1 ZINC000649345393 452027307 /nfs/dbraw/zinc/02/73/07/452027307.db2.gz YXNHHZDPJFOCCP-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000643135897 452045095 /nfs/dbraw/zinc/04/50/95/452045095.db2.gz YOVIIHMCVQCKBA-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643135897 452045100 /nfs/dbraw/zinc/04/51/00/452045100.db2.gz YOVIIHMCVQCKBA-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643135897 452045105 /nfs/dbraw/zinc/04/51/05/452045105.db2.gz YOVIIHMCVQCKBA-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649378630 452052202 /nfs/dbraw/zinc/05/22/02/452052202.db2.gz PIDLUMZVLLOZMB-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CCC4(CC[NH2+]4)CC3)CC2)[nH+]c1 ZINC000647095536 452058011 /nfs/dbraw/zinc/05/80/11/452058011.db2.gz WZKFYKGJUQBAIY-UHFFFAOYSA-N 2 1 328.460 1.961 20 0 EDADMP CO[C@@H](C)c1nc(CN2CCC[N@@H+](C[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000649414542 452076110 /nfs/dbraw/zinc/07/61/10/452076110.db2.gz GDOLCGRVMXUHBN-GJZGRUSLSA-N 2 1 338.521 1.968 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000637833335 452107129 /nfs/dbraw/zinc/10/71/29/452107129.db2.gz RZEGMGHBCXCMEE-QZTJIDSGSA-N 2 1 326.444 1.262 20 0 EDADMP C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000653971867 452188763 /nfs/dbraw/zinc/18/87/63/452188763.db2.gz MQLWBBMDVUKPTN-SFHVURJKSA-N 2 1 344.503 1.214 20 0 EDADMP C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000653971867 452188769 /nfs/dbraw/zinc/18/87/69/452188769.db2.gz MQLWBBMDVUKPTN-SFHVURJKSA-N 2 1 344.503 1.214 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651953068 452189003 /nfs/dbraw/zinc/18/90/03/452189003.db2.gz OZEKVGOPMVYDHZ-UHFFFAOYSA-N 2 1 328.464 1.385 20 0 EDADMP Cc1cc(CO)cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000641717476 452216072 /nfs/dbraw/zinc/21/60/72/452216072.db2.gz BWIVLHUZLNMLAC-KRWDZBQOSA-N 2 1 334.464 1.091 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(Oc2cnccn2)cc1 ZINC000647493215 452236886 /nfs/dbraw/zinc/23/68/86/452236886.db2.gz VBQVSOUJDVNWAJ-UHFFFAOYSA-N 2 1 327.432 1.606 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657432393 452247028 /nfs/dbraw/zinc/24/70/28/452247028.db2.gz NAGMNCHRTCDUDW-GOSISDBHSA-N 2 1 326.444 1.686 20 0 EDADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000647517869 452252853 /nfs/dbraw/zinc/25/28/53/452252853.db2.gz PLABRXPSBIAUFL-GOSISDBHSA-N 2 1 336.476 1.480 20 0 EDADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC000647541257 452273945 /nfs/dbraw/zinc/27/39/45/452273945.db2.gz UZUTUJWESAMAIP-MRXNPFEDSA-N 2 1 329.448 1.468 20 0 EDADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647549579 452277237 /nfs/dbraw/zinc/27/72/37/452277237.db2.gz IPGCJGOWPQTJCB-MISYRCLQSA-N 3 1 329.488 1.997 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1OC ZINC000641804215 452279453 /nfs/dbraw/zinc/27/94/53/452279453.db2.gz JPQMYXHSBLYXAT-ZLIFDBKOSA-N 2 1 349.475 1.905 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NCC12CC(C1)C[NH2+]2 ZINC000659450969 452300037 /nfs/dbraw/zinc/30/00/37/452300037.db2.gz JSXNADWFOPIILL-PGYGNJIDSA-N 2 1 342.487 1.602 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[NH+](C)C(C)(C)C1)CCC(F)(F)F ZINC000641825561 452308632 /nfs/dbraw/zinc/30/86/32/452308632.db2.gz BPTGEVOWXGTIIU-UHFFFAOYSA-N 2 1 338.418 1.996 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@H+](C)C(C)(C)C1)CCC(F)(F)F ZINC000641825561 452308641 /nfs/dbraw/zinc/30/86/41/452308641.db2.gz BPTGEVOWXGTIIU-UHFFFAOYSA-N 2 1 338.418 1.996 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@@H+](C)C(C)(C)C1)CCC(F)(F)F ZINC000641825561 452308652 /nfs/dbraw/zinc/30/86/52/452308652.db2.gz BPTGEVOWXGTIIU-UHFFFAOYSA-N 2 1 338.418 1.996 20 0 EDADMP CC[NH+](CC)CCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638046372 452311399 /nfs/dbraw/zinc/31/13/99/452311399.db2.gz HFWCXZVRQXWWIL-UHFFFAOYSA-N 3 1 346.519 1.828 20 0 EDADMP CCCN(C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000638045890 452311908 /nfs/dbraw/zinc/31/19/08/452311908.db2.gz BCBOPVBIANZSEY-GOSISDBHSA-N 2 1 332.492 1.436 20 0 EDADMP CCCN(C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000638045890 452311926 /nfs/dbraw/zinc/31/19/26/452311926.db2.gz BCBOPVBIANZSEY-GOSISDBHSA-N 2 1 332.492 1.436 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000665757886 452325713 /nfs/dbraw/zinc/32/57/13/452325713.db2.gz ZECAQPQKZSBSOA-HRCADAONSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000665757886 452325725 /nfs/dbraw/zinc/32/57/25/452325725.db2.gz ZECAQPQKZSBSOA-HRCADAONSA-N 2 1 328.501 1.467 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCC[N@@H+]1CCc3sccc3C1)C2 ZINC000652137842 452331781 /nfs/dbraw/zinc/33/17/81/452331781.db2.gz YMKVEXBYODZXRD-YJBOKZPZSA-N 2 1 348.516 1.877 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCC[N@H+]1CCc3sccc3C1)C2 ZINC000652137842 452331791 /nfs/dbraw/zinc/33/17/91/452331791.db2.gz YMKVEXBYODZXRD-YJBOKZPZSA-N 2 1 348.516 1.877 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C[C@@H]1C ZINC000665763783 452349940 /nfs/dbraw/zinc/34/99/40/452349940.db2.gz LPGSXTNITWHGIY-HRCADAONSA-N 2 1 328.501 1.325 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C[C@@H]1C ZINC000665763783 452349946 /nfs/dbraw/zinc/34/99/46/452349946.db2.gz LPGSXTNITWHGIY-HRCADAONSA-N 2 1 328.501 1.325 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CN1CC[NH2+]CC1 ZINC000638063687 452360622 /nfs/dbraw/zinc/36/06/22/452360622.db2.gz OMIFSXKNGFGMID-QGZVFWFLSA-N 2 1 344.503 1.582 20 0 EDADMP COC1(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CCOCC1 ZINC000657594878 452363978 /nfs/dbraw/zinc/36/39/78/452363978.db2.gz FBHHWLQGXDKTOZ-GOSISDBHSA-N 2 1 334.460 1.538 20 0 EDADMP CCN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000638080237 452396634 /nfs/dbraw/zinc/39/66/34/452396634.db2.gz SXRQMYWTJPIACC-IEBWSBKVSA-N 2 1 344.503 1.576 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638081093 452397564 /nfs/dbraw/zinc/39/75/64/452397564.db2.gz UFDGOGRZFUPSAB-WSTZPKSXSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000652221358 452413590 /nfs/dbraw/zinc/41/35/90/452413590.db2.gz VVZJLAOJSINASA-JFUJAIADSA-N 2 1 342.487 1.897 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000657651053 452419034 /nfs/dbraw/zinc/41/90/34/452419034.db2.gz OIKPJNOKYAIIBG-UHFFFAOYSA-N 2 1 331.420 1.429 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000657650783 452419672 /nfs/dbraw/zinc/41/96/72/452419672.db2.gz WABPJXMWULSOME-AWEZNQCLSA-N 2 1 329.404 1.182 20 0 EDADMP C[N@H+](CCc1ccccc1)[C@@H]1CCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000661645538 452459226 /nfs/dbraw/zinc/45/92/26/452459226.db2.gz SYKQGYHZPWRTKY-LJQANCHMSA-N 2 1 344.503 1.009 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000661645538 452459231 /nfs/dbraw/zinc/45/92/31/452459231.db2.gz SYKQGYHZPWRTKY-LJQANCHMSA-N 2 1 344.503 1.009 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)CC3([NH3+])CCC3)cc2)CC1 ZINC000645507195 452474008 /nfs/dbraw/zinc/47/40/08/452474008.db2.gz FFNWNHRMAPITQE-UHFFFAOYSA-N 2 1 330.476 1.322 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[NH+](C)C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654429759 452485207 /nfs/dbraw/zinc/48/52/07/452485207.db2.gz XMHDUBYKYYFJGD-LJISPDSOSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[NH+](C)C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654429759 452485215 /nfs/dbraw/zinc/48/52/15/452485215.db2.gz XMHDUBYKYYFJGD-LJISPDSOSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654429759 452485218 /nfs/dbraw/zinc/48/52/18/452485218.db2.gz XMHDUBYKYYFJGD-LJISPDSOSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654429759 452485222 /nfs/dbraw/zinc/48/52/22/452485222.db2.gz XMHDUBYKYYFJGD-LJISPDSOSA-N 2 1 326.485 1.266 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000655680471 452506204 /nfs/dbraw/zinc/50/62/04/452506204.db2.gz MHYPEQNWWQGONN-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP CC(C)C(=O)N1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655687640 452511658 /nfs/dbraw/zinc/51/16/58/452511658.db2.gz UGXIKOTXKVDKHH-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP FC(F)(F)CN1CC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655694214 452515308 /nfs/dbraw/zinc/51/53/08/452515308.db2.gz DKDHPNMCADZARR-HIFRSBDPSA-N 2 1 335.414 1.714 20 0 EDADMP O=C(NCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1F ZINC000655697776 452519028 /nfs/dbraw/zinc/51/90/28/452519028.db2.gz SUAZSCFFSFMOPD-HNNXBMFYSA-N 2 1 335.423 1.398 20 0 EDADMP CN(C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000652345572 452519033 /nfs/dbraw/zinc/51/90/33/452519033.db2.gz GBYOZTZOECNFTI-BQFCYCMXSA-N 2 1 337.508 1.996 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647794194 452526996 /nfs/dbraw/zinc/52/69/96/452526996.db2.gz UCLPZWRRRZIRGE-GSEOLPGOSA-N 3 1 329.488 1.731 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352012 452529241 /nfs/dbraw/zinc/52/92/41/452529241.db2.gz WFZSYFWGUWRFGG-ICSRJNTNSA-N 2 1 345.487 1.900 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352012 452529249 /nfs/dbraw/zinc/52/92/49/452529249.db2.gz WFZSYFWGUWRFGG-ICSRJNTNSA-N 2 1 345.487 1.900 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652354178 452531836 /nfs/dbraw/zinc/53/18/36/452531836.db2.gz OZANDGIACHSUNL-DOTOQJQBSA-N 2 1 333.476 1.803 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652354178 452531843 /nfs/dbraw/zinc/53/18/43/452531843.db2.gz OZANDGIACHSUNL-DOTOQJQBSA-N 2 1 333.476 1.803 20 0 EDADMP c1c(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)nc2n1CCS2 ZINC000655757495 452561456 /nfs/dbraw/zinc/56/14/56/452561456.db2.gz UVSXCABZUSNYCB-MRXNPFEDSA-N 2 1 336.505 1.764 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000647825623 452562048 /nfs/dbraw/zinc/56/20/48/452562048.db2.gz WDVQKXVXPOBDRS-HNNXBMFYSA-N 2 1 335.448 1.333 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000647825623 452562052 /nfs/dbraw/zinc/56/20/52/452562052.db2.gz WDVQKXVXPOBDRS-HNNXBMFYSA-N 2 1 335.448 1.333 20 0 EDADMP C[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000657844760 452562859 /nfs/dbraw/zinc/56/28/59/452562859.db2.gz SMZVMMMCKYSTEI-MRXNPFEDSA-N 2 1 328.464 1.204 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3C[C@H](OC(C)(C)C)C3)cn2)CC1 ZINC000655845176 452607103 /nfs/dbraw/zinc/60/71/03/452607103.db2.gz RCUDNZHCLWFYJB-WKILWMFISA-N 2 1 333.480 1.664 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000663919708 452645586 /nfs/dbraw/zinc/64/55/86/452645586.db2.gz ICGBAIGFQKNLMY-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)CC1 ZINC000661879925 452647358 /nfs/dbraw/zinc/64/73/58/452647358.db2.gz GDJALEIQCUZWKO-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000661947058 452701845 /nfs/dbraw/zinc/70/18/45/452701845.db2.gz FCMXMXZKFKXVMW-HNNXBMFYSA-N 2 1 347.463 1.406 20 0 EDADMP [NH3+]CCCOC1CC[NH+](Cc2ccc(OCC(F)(F)F)nn2)CC1 ZINC000655938634 452706731 /nfs/dbraw/zinc/70/67/31/452706731.db2.gz ZJCUHXAVQHEZOH-UHFFFAOYSA-N 2 1 348.369 1.748 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000645718637 452720562 /nfs/dbraw/zinc/72/05/62/452720562.db2.gz QYNVZLKOODWRAO-QXSJWSMHSA-N 2 1 348.495 1.126 20 0 EDADMP O=C1[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCN1CC(F)(F)F ZINC000647978179 452722458 /nfs/dbraw/zinc/72/24/58/452722458.db2.gz NRKGVIBJBNQAAS-MGPQQGTHSA-N 2 1 333.398 1.861 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655959187 452738562 /nfs/dbraw/zinc/73/85/62/452738562.db2.gz QQABMBLKQBMDAC-DLBZAZTESA-N 2 1 344.459 1.525 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654650505 452744102 /nfs/dbraw/zinc/74/41/02/452744102.db2.gz GYQOEZYJCHEUTL-WCXIOVBPSA-N 2 1 340.512 1.610 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654650505 452744105 /nfs/dbraw/zinc/74/41/05/452744105.db2.gz GYQOEZYJCHEUTL-WCXIOVBPSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964449 452746221 /nfs/dbraw/zinc/74/62/21/452746221.db2.gz ULUBPDUNLSMQSG-IBEHDNSVSA-N 2 1 326.485 1.301 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964449 452746228 /nfs/dbraw/zinc/74/62/28/452746228.db2.gz ULUBPDUNLSMQSG-IBEHDNSVSA-N 2 1 326.485 1.301 20 0 EDADMP [NH3+]CCCOC1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655973864 452756771 /nfs/dbraw/zinc/75/67/71/452756771.db2.gz JSZOTWSJCVIHJB-IRXDYDNUSA-N 2 1 338.496 1.543 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000654660681 452775340 /nfs/dbraw/zinc/77/53/40/452775340.db2.gz BODDKWOODUQVGX-XYVMCAHJSA-N 2 1 334.508 1.985 20 0 EDADMP O=C(C[NH+]1CCC(c2ccon2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000662046681 452797222 /nfs/dbraw/zinc/79/72/22/452797222.db2.gz KVHOCBYAEZWXRI-UHFFFAOYSA-N 2 1 332.448 1.597 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)CC[N@H+]1C ZINC000658288931 452832434 /nfs/dbraw/zinc/83/24/34/452832434.db2.gz HRFDUUUJEXWEQY-MISYRCLQSA-N 2 1 347.503 1.322 20 0 EDADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@]1(O)CCCOC1 ZINC000658316361 452843129 /nfs/dbraw/zinc/84/31/29/452843129.db2.gz OYNZLUWAWAKPMV-HKUYNNGSSA-N 2 1 340.508 1.787 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654734939 452861430 /nfs/dbraw/zinc/86/14/30/452861430.db2.gz NRUKBLYNAFZZKD-IKGGRYGDSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654734939 452861441 /nfs/dbraw/zinc/86/14/41/452861441.db2.gz NRUKBLYNAFZZKD-IKGGRYGDSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654734939 452861447 /nfs/dbraw/zinc/86/14/47/452861447.db2.gz NRUKBLYNAFZZKD-IKGGRYGDSA-N 2 1 338.496 1.149 20 0 EDADMP Cn1c2ccccc2nc1CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152482 452887979 /nfs/dbraw/zinc/88/79/79/452887979.db2.gz GICKUNSRJPJYAU-INIZCTEOSA-N 2 1 328.460 1.647 20 0 EDADMP Cn1c2ccccc2nc1CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152482 452887986 /nfs/dbraw/zinc/88/79/86/452887986.db2.gz GICKUNSRJPJYAU-INIZCTEOSA-N 2 1 328.460 1.647 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000648175908 452888188 /nfs/dbraw/zinc/88/81/88/452888188.db2.gz CZDRQLVSUDIFRT-ZMSDIMECSA-N 2 1 335.496 1.635 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@@H]1C ZINC000659983496 452890725 /nfs/dbraw/zinc/89/07/25/452890725.db2.gz NZQQMHGNVYKUDT-HOCLYGCPSA-N 2 1 339.505 1.899 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@@H]1C ZINC000659983496 452890742 /nfs/dbraw/zinc/89/07/42/452890742.db2.gz NZQQMHGNVYKUDT-HOCLYGCPSA-N 2 1 339.505 1.899 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@@H]1C ZINC000659983496 452890746 /nfs/dbraw/zinc/89/07/46/452890746.db2.gz NZQQMHGNVYKUDT-HOCLYGCPSA-N 2 1 339.505 1.899 20 0 EDADMP COc1c(C)ncnc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000664238161 452913805 /nfs/dbraw/zinc/91/38/05/452913805.db2.gz XLYBBAYVTQPPNM-MRXNPFEDSA-N 2 1 328.416 1.972 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(S(N)(=O)=O)c1 ZINC000650754477 452972816 /nfs/dbraw/zinc/97/28/16/452972816.db2.gz JVSYRVSVTYIXDL-NSHDSACASA-N 2 1 337.420 1.783 20 0 EDADMP O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255653 452986169 /nfs/dbraw/zinc/98/61/69/452986169.db2.gz ZRRQASAMFQRNEM-JKSUJKDBSA-N 2 1 348.422 1.543 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000662272147 452998728 /nfs/dbraw/zinc/99/87/28/452998728.db2.gz KYFDZSXMVABLNU-UHFFFAOYSA-N 2 1 347.484 1.946 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000662272147 452998738 /nfs/dbraw/zinc/99/87/38/452998738.db2.gz KYFDZSXMVABLNU-UHFFFAOYSA-N 2 1 347.484 1.946 20 0 EDADMP Cn1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)C2=O)n1 ZINC000662293138 453017327 /nfs/dbraw/zinc/01/73/27/453017327.db2.gz JZZUVDWJGRVAKT-DLBZAZTESA-N 2 1 345.491 1.627 20 0 EDADMP CN(C(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)C1CC1 ZINC000662326773 453045748 /nfs/dbraw/zinc/04/57/48/453045748.db2.gz BUZUYLNZAUTQSF-UHFFFAOYSA-N 2 1 345.491 1.677 20 0 EDADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000662337227 453053720 /nfs/dbraw/zinc/05/37/20/453053720.db2.gz KIPMMGFURXETOH-DLBZAZTESA-N 2 1 347.507 1.958 20 0 EDADMP CO[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C1CCCC1 ZINC000660164051 453096723 /nfs/dbraw/zinc/09/67/23/453096723.db2.gz GZROXVBGHDTDGT-KRWDZBQOSA-N 2 1 326.481 1.351 20 0 EDADMP O=C(NC1CC[NH2+]CC1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662391273 453102496 /nfs/dbraw/zinc/10/24/96/453102496.db2.gz ZAEXSGLEMPAFJT-UHFFFAOYSA-N 2 1 330.251 1.596 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662402871 453115000 /nfs/dbraw/zinc/11/50/00/453115000.db2.gz PXRGUHRKXLHCBR-AWEZNQCLSA-N 2 1 348.495 1.443 20 0 EDADMP [NH3+][C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Br ZINC000662426415 453134103 /nfs/dbraw/zinc/13/41/03/453134103.db2.gz YLSOPMXOGLQRHF-SUNKGSAMSA-N 2 1 338.249 1.802 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000666770762 453136294 /nfs/dbraw/zinc/13/62/94/453136294.db2.gz VRNPMZBGNSRDJJ-BLLLJJGKSA-N 2 1 330.432 1.245 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000660296619 453183813 /nfs/dbraw/zinc/18/38/13/453183813.db2.gz DDJCUNMHOLOWTD-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000660296619 453183820 /nfs/dbraw/zinc/18/38/20/453183820.db2.gz DDJCUNMHOLOWTD-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CCc1[nH+]ccn1Cc1cn(C[C@@H]2C[N@H+](CC(C)C)CCO2)nn1 ZINC000656447343 453187244 /nfs/dbraw/zinc/18/72/44/453187244.db2.gz NOMUAGDDEKQSRU-INIZCTEOSA-N 2 1 332.452 1.442 20 0 EDADMP CCc1[nH+]ccn1Cc1cn(C[C@@H]2C[N@@H+](CC(C)C)CCO2)nn1 ZINC000656447343 453187254 /nfs/dbraw/zinc/18/72/54/453187254.db2.gz NOMUAGDDEKQSRU-INIZCTEOSA-N 2 1 332.452 1.442 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C[C@H](C)O1 ZINC000660301605 453191626 /nfs/dbraw/zinc/19/16/26/453191626.db2.gz VOYSUIHDEWHJGP-OWCLPIDISA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C[C@H](C)O1 ZINC000660301605 453191635 /nfs/dbraw/zinc/19/16/35/453191635.db2.gz VOYSUIHDEWHJGP-OWCLPIDISA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000664571539 453206987 /nfs/dbraw/zinc/20/69/87/453206987.db2.gz CEFNDFGVURBQPV-XHSDSOJGSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000664571539 453206992 /nfs/dbraw/zinc/20/69/92/453206992.db2.gz CEFNDFGVURBQPV-XHSDSOJGSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)[C@H]1CCCCO1 ZINC000664598248 453232317 /nfs/dbraw/zinc/23/23/17/453232317.db2.gz GGHCJVYGVUDUNQ-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)[C@H]1CCCCO1 ZINC000664598248 453232326 /nfs/dbraw/zinc/23/23/26/453232326.db2.gz GGHCJVYGVUDUNQ-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)ccc1C[NH+](C)C ZINC000662517527 453235317 /nfs/dbraw/zinc/23/53/17/453235317.db2.gz IQWIGTJICZOLST-INIZCTEOSA-N 2 1 332.448 1.206 20 0 EDADMP CN1CC(=O)N(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000660435538 453306424 /nfs/dbraw/zinc/30/64/24/453306424.db2.gz MPXLFQBDAHXARN-UHFFFAOYSA-N 2 1 345.447 1.293 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000653121796 453312826 /nfs/dbraw/zinc/31/28/26/453312826.db2.gz BUYKCPKTMBWJRE-OFQRWUPVSA-N 2 1 338.521 1.526 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000648833448 453313929 /nfs/dbraw/zinc/31/39/29/453313929.db2.gz LOMCPSKWRXFPGA-HZPDHXFCSA-N 2 1 336.480 1.750 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000648833448 453313937 /nfs/dbraw/zinc/31/39/37/453313937.db2.gz LOMCPSKWRXFPGA-HZPDHXFCSA-N 2 1 336.480 1.750 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)CC[N@H+]1C ZINC000648833514 453314770 /nfs/dbraw/zinc/31/47/70/453314770.db2.gz OSFNIDHLIYAVEL-LULLPPNCSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC[NH+]1C ZINC000648833514 453314774 /nfs/dbraw/zinc/31/47/74/453314774.db2.gz OSFNIDHLIYAVEL-LULLPPNCSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC[NH+]1C ZINC000648833514 453314779 /nfs/dbraw/zinc/31/47/79/453314779.db2.gz OSFNIDHLIYAVEL-LULLPPNCSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@@H](CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[N@@H+](C)Cc1ccccc1 ZINC000653124170 453317660 /nfs/dbraw/zinc/31/76/60/453317660.db2.gz SFWKHWWGZIIRIN-IEZWGBDMSA-N 2 1 331.460 1.249 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000651193317 453343154 /nfs/dbraw/zinc/34/31/54/453343154.db2.gz SCTNLZNWTNCGIH-QGZVFWFLSA-N 2 1 340.512 1.328 20 0 EDADMP C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662660073 453373905 /nfs/dbraw/zinc/37/39/05/453373905.db2.gz BIPWVVGSVDAXTC-ZWKOTPCHSA-N 2 1 332.492 1.041 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000656697742 453374344 /nfs/dbraw/zinc/37/43/44/453374344.db2.gz FZNMLZMRYJSDJE-IEBWSBKVSA-N 2 1 347.503 1.830 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000656697742 453374349 /nfs/dbraw/zinc/37/43/49/453374349.db2.gz FZNMLZMRYJSDJE-IEBWSBKVSA-N 2 1 347.503 1.830 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000656697742 453374352 /nfs/dbraw/zinc/37/43/52/453374352.db2.gz FZNMLZMRYJSDJE-IEBWSBKVSA-N 2 1 347.503 1.830 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000656697742 453374359 /nfs/dbraw/zinc/37/43/59/453374359.db2.gz FZNMLZMRYJSDJE-IEBWSBKVSA-N 2 1 347.503 1.830 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cncn2C)CC[N@H+]1C ZINC000648899212 453377525 /nfs/dbraw/zinc/37/75/25/453377525.db2.gz BEPFMOPAPGKMAK-KYHPRHEASA-N 2 1 347.507 1.602 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cncn2C)CC[NH+]1C ZINC000648899212 453377530 /nfs/dbraw/zinc/37/75/30/453377530.db2.gz BEPFMOPAPGKMAK-KYHPRHEASA-N 2 1 347.507 1.602 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cncn2C)CC[NH+]1C ZINC000648899212 453377537 /nfs/dbraw/zinc/37/75/37/453377537.db2.gz BEPFMOPAPGKMAK-KYHPRHEASA-N 2 1 347.507 1.602 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662668214 453382056 /nfs/dbraw/zinc/38/20/56/453382056.db2.gz IWXYOMOOIBLCLH-HOTGVXAUSA-N 2 1 348.495 1.587 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662668050 453382695 /nfs/dbraw/zinc/38/26/95/453382695.db2.gz HHVJZXOZILIBTN-SJLPKXTDSA-N 2 1 345.491 1.944 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCCC3(C[NH3+])CC3)cc2)CC1 ZINC000653220690 453409618 /nfs/dbraw/zinc/40/96/18/453409618.db2.gz SRXJCVAAXPUREP-UHFFFAOYSA-N 2 1 330.476 1.293 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662699441 453420175 /nfs/dbraw/zinc/42/01/75/453420175.db2.gz AHJYMULBMJIPMW-CALCHBBNSA-N 2 1 348.535 1.665 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cn(C)nc1C1CC1 ZINC000667127465 453423012 /nfs/dbraw/zinc/42/30/12/453423012.db2.gz JCYVTGSXRORQQJ-ZDUSSCGKSA-N 2 1 336.484 1.691 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cn(C)nc1C1CC1 ZINC000667127465 453423018 /nfs/dbraw/zinc/42/30/18/453423018.db2.gz JCYVTGSXRORQQJ-ZDUSSCGKSA-N 2 1 336.484 1.691 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662705287 453428893 /nfs/dbraw/zinc/42/88/93/453428893.db2.gz MCWNWNNAAXSQIS-YYIAUSFCSA-N 2 1 333.476 1.277 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660587264 453429178 /nfs/dbraw/zinc/42/91/78/453429178.db2.gz QHAZAXHBTGCZKM-UHFFFAOYSA-N 2 1 340.512 1.517 20 0 EDADMP Cc1cc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cn2cc[nH+]c12 ZINC000667146626 453437602 /nfs/dbraw/zinc/43/76/02/453437602.db2.gz OXWFVHRFKDUCFV-INIZCTEOSA-N 2 1 343.431 1.706 20 0 EDADMP Cc1cc(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cn2cc[nH+]c12 ZINC000667146626 453437612 /nfs/dbraw/zinc/43/76/12/453437612.db2.gz OXWFVHRFKDUCFV-INIZCTEOSA-N 2 1 343.431 1.706 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000667152681 453442261 /nfs/dbraw/zinc/44/22/61/453442261.db2.gz WPHMLUDSSWXCFO-CQSZACIVSA-N 2 1 336.484 1.687 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000664898064 453469629 /nfs/dbraw/zinc/46/96/29/453469629.db2.gz XXWQULHHBLFJNV-YOEHRIQHSA-N 2 1 334.464 1.003 20 0 EDADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662745588 453475048 /nfs/dbraw/zinc/47/50/48/453475048.db2.gz JTIOKMZLHGLRFQ-RISCZKNCSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662745588 453475054 /nfs/dbraw/zinc/47/50/54/453475054.db2.gz JTIOKMZLHGLRFQ-RISCZKNCSA-N 2 1 340.265 1.907 20 0 EDADMP [NH3+]C1(CC(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)CC1 ZINC000662758164 453495582 /nfs/dbraw/zinc/49/55/82/453495582.db2.gz POTRZVVEGYGVJI-UHFFFAOYSA-N 2 1 343.431 1.258 20 0 EDADMP [NH3+][C@H]1C[C@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000662758914 453497367 /nfs/dbraw/zinc/49/73/67/453497367.db2.gz VEGQSQADJPZOBO-IYARVYRRSA-N 2 1 330.476 1.048 20 0 EDADMP CCc1noc(C)c1CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664959890 453517195 /nfs/dbraw/zinc/51/71/95/453517195.db2.gz OBANYYRDGSIDIM-ZDUSSCGKSA-N 2 1 339.484 1.617 20 0 EDADMP CCc1noc(C)c1CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664959890 453517196 /nfs/dbraw/zinc/51/71/96/453517196.db2.gz OBANYYRDGSIDIM-ZDUSSCGKSA-N 2 1 339.484 1.617 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC12CCOCC2 ZINC000662786677 453520973 /nfs/dbraw/zinc/52/09/73/453520973.db2.gz XZIAZIMJQLSKOW-IAQYHMDHSA-N 2 1 339.386 1.179 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)[C@H]3C[C@H]([NH3+])C3)CC[N@H+]2C2CC2)c1 ZINC000662800169 453534824 /nfs/dbraw/zinc/53/48/24/453534824.db2.gz ZKQYQMVGEVXDGR-DTDBQYNISA-N 2 1 329.444 1.827 20 0 EDADMP CC(C)([NH3+])c1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)on1 ZINC000662805323 453539799 /nfs/dbraw/zinc/53/97/99/453539799.db2.gz KOSPHVWKDZCQSO-TZMCWYRMSA-N 2 1 332.448 1.957 20 0 EDADMP [NH3+]CC1(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CCCC1 ZINC000662860968 453576061 /nfs/dbraw/zinc/57/60/61/453576061.db2.gz WHNMHSQHLNXRSI-KRWDZBQOSA-N 2 1 331.460 1.389 20 0 EDADMP [NH3+]Cc1cc(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)co1 ZINC000662861227 453576827 /nfs/dbraw/zinc/57/68/27/453576827.db2.gz YJTJMQIJPLFXAS-INIZCTEOSA-N 2 1 329.400 1.235 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660823418 453588252 /nfs/dbraw/zinc/58/82/52/453588252.db2.gz GAWNTDWRZHMXCQ-HNNXBMFYSA-N 2 1 340.537 1.741 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660823418 453588257 /nfs/dbraw/zinc/58/82/57/453588257.db2.gz GAWNTDWRZHMXCQ-HNNXBMFYSA-N 2 1 340.537 1.741 20 0 EDADMP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899401 453593053 /nfs/dbraw/zinc/59/30/53/453593053.db2.gz CMXJCDHRUXURKO-DLBZAZTESA-N 2 1 334.508 1.003 20 0 EDADMP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899401 453593056 /nfs/dbraw/zinc/59/30/56/453593056.db2.gz CMXJCDHRUXURKO-DLBZAZTESA-N 2 1 334.508 1.003 20 0 EDADMP CN(C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899452 453594438 /nfs/dbraw/zinc/59/44/38/453594438.db2.gz DCXXFSOKJOQXDR-BZSNNMDCSA-N 2 1 334.508 1.144 20 0 EDADMP CN(C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899452 453594441 /nfs/dbraw/zinc/59/44/41/453594441.db2.gz DCXXFSOKJOQXDR-BZSNNMDCSA-N 2 1 334.508 1.144 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292089 453639341 /nfs/dbraw/zinc/63/93/41/453639341.db2.gz SGHPVHAPSTXGEM-CJNGLKHVSA-N 2 1 342.447 1.036 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000665357544 453665513 /nfs/dbraw/zinc/66/55/13/453665513.db2.gz PJWMLPVOKNAQLA-HNNXBMFYSA-N 2 1 340.512 1.611 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000665357544 453665517 /nfs/dbraw/zinc/66/55/17/453665517.db2.gz PJWMLPVOKNAQLA-HNNXBMFYSA-N 2 1 340.512 1.611 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665357544 453665522 /nfs/dbraw/zinc/66/55/22/453665522.db2.gz PJWMLPVOKNAQLA-HNNXBMFYSA-N 2 1 340.512 1.611 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000665357544 453665524 /nfs/dbraw/zinc/66/55/24/453665524.db2.gz PJWMLPVOKNAQLA-HNNXBMFYSA-N 2 1 340.512 1.611 20 0 EDADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000663499984 453810971 /nfs/dbraw/zinc/81/09/71/453810971.db2.gz HOKNDLFKNVIXKB-FUHWJXTLSA-N 2 1 330.476 1.394 20 0 EDADMP Cc1csc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000663536802 453817924 /nfs/dbraw/zinc/81/79/24/453817924.db2.gz ALZRLRLBTDXJFY-LBPRGKRZSA-N 2 1 327.498 1.523 20 0 EDADMP Cc1csc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000663536802 453817925 /nfs/dbraw/zinc/81/79/25/453817925.db2.gz ALZRLRLBTDXJFY-LBPRGKRZSA-N 2 1 327.498 1.523 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000680012727 486695315 /nfs/dbraw/zinc/69/53/15/486695315.db2.gz VRUTXFILVZWQGQ-IEBWSBKVSA-N 2 1 345.487 1.688 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CN(C)CCO1 ZINC000676245707 486705051 /nfs/dbraw/zinc/70/50/51/486705051.db2.gz PHAGYBKQLDNHHN-QXSJWSMHSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676245707 486705054 /nfs/dbraw/zinc/70/50/54/486705054.db2.gz PHAGYBKQLDNHHN-QXSJWSMHSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676245707 486705057 /nfs/dbraw/zinc/70/50/57/486705057.db2.gz PHAGYBKQLDNHHN-QXSJWSMHSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676245707 486705061 /nfs/dbraw/zinc/70/50/61/486705061.db2.gz PHAGYBKQLDNHHN-QXSJWSMHSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676245707 486705064 /nfs/dbraw/zinc/70/50/64/486705064.db2.gz PHAGYBKQLDNHHN-QXSJWSMHSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000676289409 486721351 /nfs/dbraw/zinc/72/13/51/486721351.db2.gz ZMHPDWGZWYCTKD-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000676289409 486721355 /nfs/dbraw/zinc/72/13/55/486721355.db2.gz ZMHPDWGZWYCTKD-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1CCCC[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000676289409 486721360 /nfs/dbraw/zinc/72/13/60/486721360.db2.gz ZMHPDWGZWYCTKD-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1CCCC[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000676289409 486721363 /nfs/dbraw/zinc/72/13/63/486721363.db2.gz ZMHPDWGZWYCTKD-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)CC1 ZINC000676304732 486729057 /nfs/dbraw/zinc/72/90/57/486729057.db2.gz DVRZTANVKOIBAX-NVXWUHKLSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)CC1 ZINC000676304732 486729062 /nfs/dbraw/zinc/72/90/62/486729062.db2.gz DVRZTANVKOIBAX-NVXWUHKLSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676304732 486729065 /nfs/dbraw/zinc/72/90/65/486729065.db2.gz DVRZTANVKOIBAX-NVXWUHKLSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676304732 486729070 /nfs/dbraw/zinc/72/90/70/486729070.db2.gz DVRZTANVKOIBAX-NVXWUHKLSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676304712 486729106 /nfs/dbraw/zinc/72/91/06/486729106.db2.gz DGJWDPGQYUQMMP-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676304712 486729110 /nfs/dbraw/zinc/72/91/10/486729110.db2.gz DGJWDPGQYUQMMP-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000074489773 486785681 /nfs/dbraw/zinc/78/56/81/486785681.db2.gz XMNCJPLIPIOXDP-GOSISDBHSA-N 2 1 330.476 1.017 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)C[C@H]1Cc1ccccc1 ZINC000672754048 486791108 /nfs/dbraw/zinc/79/11/08/486791108.db2.gz LNLQBPKHWJHPGF-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)C[C@H]1Cc1ccccc1 ZINC000672754048 486791113 /nfs/dbraw/zinc/79/11/13/486791113.db2.gz LNLQBPKHWJHPGF-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000672754048 486791115 /nfs/dbraw/zinc/79/11/15/486791115.db2.gz LNLQBPKHWJHPGF-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000672754048 486791122 /nfs/dbraw/zinc/79/11/22/486791122.db2.gz LNLQBPKHWJHPGF-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP C[C@H](O)CN1CCN(C(=O)NCCN2Cc3ccccc3C2)[C@H](C)C1 ZINC000672781515 486798844 /nfs/dbraw/zinc/79/88/44/486798844.db2.gz KNUSCBRFQHWIKW-CVEARBPZSA-N 2 1 346.475 1.099 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000683986410 486896716 /nfs/dbraw/zinc/89/67/16/486896716.db2.gz XGURKXRARKSUSI-HLLBOEOZSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000683986410 486896720 /nfs/dbraw/zinc/89/67/20/486896720.db2.gz XGURKXRARKSUSI-HLLBOEOZSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000683986410 486896724 /nfs/dbraw/zinc/89/67/24/486896724.db2.gz XGURKXRARKSUSI-HLLBOEOZSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000683986410 486896727 /nfs/dbraw/zinc/89/67/27/486896727.db2.gz XGURKXRARKSUSI-HLLBOEOZSA-N 2 1 338.496 1.221 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000683986332 486897104 /nfs/dbraw/zinc/89/71/04/486897104.db2.gz UTXYLAYYDVNZAE-INIZCTEOSA-N 2 1 338.496 1.223 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000683986332 486897106 /nfs/dbraw/zinc/89/71/06/486897106.db2.gz UTXYLAYYDVNZAE-INIZCTEOSA-N 2 1 338.496 1.223 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000683986332 486897107 /nfs/dbraw/zinc/89/71/07/486897107.db2.gz UTXYLAYYDVNZAE-INIZCTEOSA-N 2 1 338.496 1.223 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000683986332 486897108 /nfs/dbraw/zinc/89/71/08/486897108.db2.gz UTXYLAYYDVNZAE-INIZCTEOSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000430895783 486897665 /nfs/dbraw/zinc/89/76/65/486897665.db2.gz VAUJVAUBDLRSAQ-MSOLQXFVSA-N 2 1 349.475 1.387 20 0 EDADMP O=C1[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCN1c1ccccc1C(F)(F)F ZINC000681166564 486957687 /nfs/dbraw/zinc/95/76/87/486957687.db2.gz QPLJGRTUHSTJOY-LALPHHSUSA-N 2 1 339.361 1.962 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000681188664 486963775 /nfs/dbraw/zinc/96/37/75/486963775.db2.gz OSURXAGGYFTDMX-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP CC[N@@H+]1CCN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000677182322 486999232 /nfs/dbraw/zinc/99/92/32/486999232.db2.gz JAVPFDQVLLVJNV-QFBILLFUSA-N 2 1 331.460 1.176 20 0 EDADMP CC[N@H+]1CCN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000677182322 486999234 /nfs/dbraw/zinc/99/92/34/486999234.db2.gz JAVPFDQVLLVJNV-QFBILLFUSA-N 2 1 331.460 1.176 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000677182322 486999239 /nfs/dbraw/zinc/99/92/39/486999239.db2.gz JAVPFDQVLLVJNV-QFBILLFUSA-N 2 1 331.460 1.176 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000677182322 486999242 /nfs/dbraw/zinc/99/92/42/486999242.db2.gz JAVPFDQVLLVJNV-QFBILLFUSA-N 2 1 331.460 1.176 20 0 EDADMP CC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C[C@H]1C ZINC000677189724 487001793 /nfs/dbraw/zinc/00/17/93/487001793.db2.gz BWBPQUMPLJQLJU-SJLPKXTDSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@H]1C ZINC000677189724 487001798 /nfs/dbraw/zinc/00/17/98/487001798.db2.gz BWBPQUMPLJQLJU-SJLPKXTDSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@H]1C ZINC000677189724 487001801 /nfs/dbraw/zinc/00/18/01/487001801.db2.gz BWBPQUMPLJQLJU-SJLPKXTDSA-N 2 1 330.476 1.846 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000667965182 487037737 /nfs/dbraw/zinc/03/77/37/487037737.db2.gz ONANPBIIEXPXNQ-MSOLQXFVSA-N 2 1 331.460 1.613 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000673638003 487074702 /nfs/dbraw/zinc/07/47/02/487074702.db2.gz RPZVBOXUYVTPCQ-GASCZTMLSA-N 2 1 346.475 1.789 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000673650399 487076644 /nfs/dbraw/zinc/07/66/44/487076644.db2.gz QFKZATSHQYOSNX-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+](C)CCOc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000685043618 487219799 /nfs/dbraw/zinc/21/97/99/487219799.db2.gz XRBJUOCZJDHIGH-UHFFFAOYSA-N 3 1 348.535 1.743 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1)[NH+](C)C ZINC000674246407 487223047 /nfs/dbraw/zinc/22/30/47/487223047.db2.gz KHCRPIJPWUNFMD-DZGCQCFKSA-N 2 1 332.448 1.273 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000679764082 487464022 /nfs/dbraw/zinc/46/40/22/487464022.db2.gz RHBPQSDBPNAYIO-ZWKOTPCHSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000679764082 487464023 /nfs/dbraw/zinc/46/40/23/487464023.db2.gz RHBPQSDBPNAYIO-ZWKOTPCHSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000679764082 487464024 /nfs/dbraw/zinc/46/40/24/487464024.db2.gz RHBPQSDBPNAYIO-ZWKOTPCHSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+](C)CCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000679772533 487464551 /nfs/dbraw/zinc/46/45/51/487464551.db2.gz DNBXAOAOWTUIQM-QGZVFWFLSA-N 2 1 334.464 1.004 20 0 EDADMP O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CC[NH2+]CC1 ZINC000669556736 485559990 /nfs/dbraw/zinc/55/99/90/485559990.db2.gz CXWMQSXRMNEZLN-CEXWTWQISA-N 2 1 342.487 1.902 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000669021136 485568353 /nfs/dbraw/zinc/56/83/53/485568353.db2.gz HVWKFUWNJNEHHX-DOTOQJQBSA-N 2 1 326.485 1.032 20 0 EDADMP CN(C)c1cc(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)cc[nH+]1 ZINC000345434673 485975297 /nfs/dbraw/zinc/97/52/97/485975297.db2.gz IKGXYZBPSVBWMH-WBVHZDCISA-N 2 1 332.448 1.833 20 0 EDADMP OCC1(CO)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000668666703 486016942 /nfs/dbraw/zinc/01/69/42/486016942.db2.gz QSQXICDFJOUNRG-UHFFFAOYSA-N 2 1 334.460 1.338 20 0 EDADMP COCC[NH2+]CCNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000669420766 486140783 /nfs/dbraw/zinc/14/07/83/486140783.db2.gz WMJVPVJCXSSAHG-GOSISDBHSA-N 2 1 348.491 1.434 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000669484226 486250128 /nfs/dbraw/zinc/25/01/28/486250128.db2.gz KTEXSGLQCHJRIS-UXLLHSPISA-N 2 1 337.512 1.066 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000669484226 486250131 /nfs/dbraw/zinc/25/01/31/486250131.db2.gz KTEXSGLQCHJRIS-UXLLHSPISA-N 2 1 337.512 1.066 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000669484419 486250284 /nfs/dbraw/zinc/25/02/84/486250284.db2.gz WDJWFCDDUPMYEP-WMZOPIPTSA-N 2 1 345.491 1.154 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000669484419 486250289 /nfs/dbraw/zinc/25/02/89/486250289.db2.gz WDJWFCDDUPMYEP-WMZOPIPTSA-N 2 1 345.491 1.154 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000132151846 491215138 /nfs/dbraw/zinc/21/51/38/491215138.db2.gz PVUTYDKSZDUYSM-UHFFFAOYSA-N 2 1 331.508 1.799 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)C1CC[NH+](C)CC1 ZINC000130537471 491006079 /nfs/dbraw/zinc/00/60/79/491006079.db2.gz KZYZRYVBVRYUES-INIZCTEOSA-N 2 1 331.508 1.653 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000181142644 534447893 /nfs/dbraw/zinc/44/78/93/534447893.db2.gz BCSPSZGTXWDMBW-NTDBWNAOSA-N 2 1 345.487 1.985 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000246374015 536503439 /nfs/dbraw/zinc/50/34/39/536503439.db2.gz QJYAATRXLKPECS-SJORKVTESA-N 2 1 340.512 1.611 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246374015 536503445 /nfs/dbraw/zinc/50/34/45/536503445.db2.gz QJYAATRXLKPECS-SJORKVTESA-N 2 1 340.512 1.611 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000246374015 536503448 /nfs/dbraw/zinc/50/34/48/536503448.db2.gz QJYAATRXLKPECS-SJORKVTESA-N 2 1 340.512 1.611 20 0 EDADMP CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000236809233 535043939 /nfs/dbraw/zinc/04/39/39/535043939.db2.gz CADRVPHHJVNVIP-WMZOPIPTSA-N 2 1 332.492 1.831 20 0 EDADMP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000236830310 535046990 /nfs/dbraw/zinc/04/69/90/535046990.db2.gz KOIRFSVZLRIJCX-HOTGVXAUSA-N 2 1 333.480 1.226 20 0 EDADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000332101504 535264743 /nfs/dbraw/zinc/26/47/43/535264743.db2.gz FBBORQRUODNBOW-HZPDHXFCSA-N 2 1 333.480 1.819 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000332101504 535264746 /nfs/dbraw/zinc/26/47/46/535264746.db2.gz FBBORQRUODNBOW-HZPDHXFCSA-N 2 1 333.480 1.819 20 0 EDADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000344783668 535626739 /nfs/dbraw/zinc/62/67/39/535626739.db2.gz YPJUURZOZFDRRW-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)c1cccc(OC)c1 ZINC000236881729 535674911 /nfs/dbraw/zinc/67/49/11/535674911.db2.gz QAGKJKLNDMSRHQ-JKSUJKDBSA-N 2 1 337.489 1.857 20 0 EDADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)C2)CC1 ZINC000130293861 535732205 /nfs/dbraw/zinc/73/22/05/535732205.db2.gz DTZCSQJAVCFLDI-XYJFISCASA-N 2 1 349.523 1.033 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262717678 535955085 /nfs/dbraw/zinc/95/50/85/535955085.db2.gz WPBDAJAWCMYTJA-QRTARXTBSA-N 2 1 346.475 1.696 20 0 EDADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000125520715 535965392 /nfs/dbraw/zinc/96/53/92/535965392.db2.gz SFXFTIXMVJZWJN-QGZVFWFLSA-N 2 1 345.487 1.975 20 0 EDADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000125520715 535965397 /nfs/dbraw/zinc/96/53/97/535965397.db2.gz SFXFTIXMVJZWJN-QGZVFWFLSA-N 2 1 345.487 1.975 20 0 EDADMP CCn1cc(C2CC[NH+](CC(=O)NC3CC[NH+](CC)CC3)CC2)cn1 ZINC000331934211 536035469 /nfs/dbraw/zinc/03/54/69/536035469.db2.gz QGAOFMOAWLYANU-UHFFFAOYSA-N 2 1 347.507 1.683 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237093930 536455298 /nfs/dbraw/zinc/45/52/98/536455298.db2.gz OVOJUSWMBPFGGN-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237093930 536455302 /nfs/dbraw/zinc/45/53/02/536455302.db2.gz OVOJUSWMBPFGGN-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP COCC[N@H+](C)CCC[NH2+]Cc1cc(OC)ccc1OCOC ZINC000271259126 536796614 /nfs/dbraw/zinc/79/66/14/536796614.db2.gz YVJVQULNSDUFMQ-UHFFFAOYSA-N 2 1 326.437 1.736 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc(OC)ccc1OCOC ZINC000271259126 536796618 /nfs/dbraw/zinc/79/66/18/536796618.db2.gz YVJVQULNSDUFMQ-UHFFFAOYSA-N 2 1 326.437 1.736 20 0 EDADMP COc1ccc2nc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)sc2c1 ZINC000262077273 537051064 /nfs/dbraw/zinc/05/10/64/537051064.db2.gz DKIDKAFACOLGGF-ZDUSSCGKSA-N 2 1 332.473 1.784 20 0 EDADMP COc1ccc2nc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)sc2c1 ZINC000262077273 537051070 /nfs/dbraw/zinc/05/10/70/537051070.db2.gz DKIDKAFACOLGGF-ZDUSSCGKSA-N 2 1 332.473 1.784 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742107984 579434896 /nfs/dbraw/zinc/43/48/96/579434896.db2.gz ZEYBVJAYOQFYQL-KRWDZBQOSA-N 2 1 325.497 1.679 20 0 EDADMP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000742238648 579444620 /nfs/dbraw/zinc/44/46/20/579444620.db2.gz GGDVBJLLCQKWJT-PKOBYXMFSA-N 2 1 344.503 1.576 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000742238648 579444621 /nfs/dbraw/zinc/44/46/21/579444621.db2.gz GGDVBJLLCQKWJT-PKOBYXMFSA-N 2 1 344.503 1.576 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=S)NCC[NH+](C)C ZINC000743035455 579468540 /nfs/dbraw/zinc/46/85/40/579468540.db2.gz DRBMUGXCOOVVGS-KRWDZBQOSA-N 2 1 334.533 1.876 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H](c1ccco1)[NH+](C)C ZINC000727068243 578512968 /nfs/dbraw/zinc/51/29/68/578512968.db2.gz UDIUGJYHZHIHBV-ZDUSSCGKSA-N 2 1 326.510 1.934 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@H](n2ccnc2)C1 ZINC000729620403 578585304 /nfs/dbraw/zinc/58/53/04/578585304.db2.gz XWDKJTWMEGLICI-HRCADAONSA-N 2 1 333.436 1.093 20 0 EDADMP C[NH+](C)CCCCC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000729927452 578598082 /nfs/dbraw/zinc/59/80/82/578598082.db2.gz JXEFKMPODMQRJC-SFHVURJKSA-N 2 1 333.476 1.596 20 0 EDADMP Cc1ccc(N2CCC[C@@H]([N@H+](C)C[C@H](O)C[NH+]3CCCC3)C2)nn1 ZINC000729929401 578602329 /nfs/dbraw/zinc/60/23/29/578602329.db2.gz UJQIJNZIPYDOPL-SJORKVTESA-N 2 1 333.480 1.142 20 0 EDADMP Cc1ccc(N2CCC[C@@H]([N@@H+](C)C[C@H](O)C[NH+]3CCCC3)C2)nn1 ZINC000729929401 578602330 /nfs/dbraw/zinc/60/23/30/578602330.db2.gz UJQIJNZIPYDOPL-SJORKVTESA-N 2 1 333.480 1.142 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1C[C@H]1CC1(Cl)Cl ZINC000729930560 578602842 /nfs/dbraw/zinc/60/28/42/578602842.db2.gz URSIXPOFFBAMSS-MGPQQGTHSA-N 2 1 336.307 1.517 20 0 EDADMP C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C[C@H]1CC1(Cl)Cl ZINC000729930560 578602843 /nfs/dbraw/zinc/60/28/43/578602843.db2.gz URSIXPOFFBAMSS-MGPQQGTHSA-N 2 1 336.307 1.517 20 0 EDADMP CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732559779 578717938 /nfs/dbraw/zinc/71/79/38/578717938.db2.gz RANKQSCCVQUWDQ-LAQIPUCWSA-N 2 1 331.464 1.060 20 0 EDADMP CN(C(=O)/C=C/c1cnccn1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732558531 578718482 /nfs/dbraw/zinc/71/84/82/578718482.db2.gz AZXJJYZIDJBFRI-IDOMTICXSA-N 2 1 329.448 1.117 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000733778614 578784220 /nfs/dbraw/zinc/78/42/20/578784220.db2.gz DORGXIRWHPVNSA-QZTJIDSGSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000733778614 578784222 /nfs/dbraw/zinc/78/42/22/578784222.db2.gz DORGXIRWHPVNSA-QZTJIDSGSA-N 2 1 337.508 1.822 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)C(C)C ZINC000734667326 578828555 /nfs/dbraw/zinc/82/85/55/578828555.db2.gz YELIWWXQKXHNEX-KRWDZBQOSA-N 2 1 339.528 1.138 20 0 EDADMP CC[NH+](CCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C(C)C ZINC000734667326 578828556 /nfs/dbraw/zinc/82/85/56/578828556.db2.gz YELIWWXQKXHNEX-KRWDZBQOSA-N 2 1 339.528 1.138 20 0 EDADMP CC[NH+](CCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C(C)C ZINC000734667326 578828557 /nfs/dbraw/zinc/82/85/57/578828557.db2.gz YELIWWXQKXHNEX-KRWDZBQOSA-N 2 1 339.528 1.138 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(-n3ccnc3)cc2)C1 ZINC000734862120 578841411 /nfs/dbraw/zinc/84/14/11/578841411.db2.gz PTIJRXFETAMQJA-KRWDZBQOSA-N 2 1 343.431 1.392 20 0 EDADMP CCN1C(=O)CN(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1=O ZINC000736276452 578971747 /nfs/dbraw/zinc/97/17/47/578971747.db2.gz XKNLSNUPDXYIPA-UHFFFAOYSA-N 2 1 336.480 1.816 20 0 EDADMP C(CCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000748813667 579701025 /nfs/dbraw/zinc/70/10/25/579701025.db2.gz PQOUDWWKUCDPOJ-WTGUMLROSA-N 4 1 334.552 1.629 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000749825110 579741157 /nfs/dbraw/zinc/74/11/57/579741157.db2.gz CSUOFMKASSSGJJ-CABCVRRESA-N 2 1 328.526 1.046 20 0 EDADMP CC[NH+](CC)Cc1cccc(CNC(=O)CC[NH+]2CCOCC2)c1 ZINC000751335539 579801943 /nfs/dbraw/zinc/80/19/43/579801943.db2.gz GNIZCRVEJADRPN-UHFFFAOYSA-N 2 1 333.476 1.867 20 0 EDADMP O=C(CC[NH+]1CCOCC1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000751361008 579803010 /nfs/dbraw/zinc/80/30/10/579803010.db2.gz INUNLCSDRBMFJK-UHFFFAOYSA-N 2 1 331.460 1.986 20 0 EDADMP c1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000758846270 579992930 /nfs/dbraw/zinc/99/29/30/579992930.db2.gz HFTIKWRXBNCRLN-INIZCTEOSA-N 2 1 347.463 1.369 20 0 EDADMP O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000764531234 580122850 /nfs/dbraw/zinc/12/28/50/580122850.db2.gz BEGGWGLKGACBRQ-DAWZGUTISA-N 2 1 334.508 1.290 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@H](O)c2cc(OC)ccc2OC)CC1 ZINC000764770386 580128366 /nfs/dbraw/zinc/12/83/66/580128366.db2.gz BHUDIWVPBYEXQN-KRWDZBQOSA-N 2 1 338.448 1.438 20 0 EDADMP COc1ccc(CC[C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000765738882 580150276 /nfs/dbraw/zinc/15/02/76/580150276.db2.gz JLBDDRBJYWGGOQ-MRXNPFEDSA-N 2 1 333.476 1.770 20 0 EDADMP c1ccc2nc(N3CCOCC3)c(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000770393221 580259373 /nfs/dbraw/zinc/25/93/73/580259373.db2.gz BOOZPDGUWYNPNQ-QZTJIDSGSA-N 2 1 338.455 1.723 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000775386977 580389886 /nfs/dbraw/zinc/38/98/86/580389886.db2.gz UZNFWBQBVZZGQA-OAGGEKHMSA-N 2 1 329.579 1.983 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000776043262 580406866 /nfs/dbraw/zinc/40/68/66/580406866.db2.gz DLAAENZLPVVILT-QGZVFWFLSA-N 2 1 336.480 1.191 20 0 EDADMP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000776596185 580423447 /nfs/dbraw/zinc/42/34/47/580423447.db2.gz LNGGOGPDXRPZMR-YFHOEESVSA-N 2 1 331.460 1.804 20 0 EDADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000778984129 580477346 /nfs/dbraw/zinc/47/73/46/580477346.db2.gz UGRADXIDGZODEV-ARFHVFGLSA-N 2 1 341.496 1.678 20 0 EDADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000778984129 580477347 /nfs/dbraw/zinc/47/73/47/580477347.db2.gz UGRADXIDGZODEV-ARFHVFGLSA-N 2 1 341.496 1.678 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2noc(C(C)(C)C)n2)C1 ZINC000779654479 580493410 /nfs/dbraw/zinc/49/34/10/580493410.db2.gz OHOCJJFCNZZABH-LLVKDONJSA-N 2 1 325.413 1.475 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2noc(C(C)(C)C)n2)C1 ZINC000779654479 580493411 /nfs/dbraw/zinc/49/34/11/580493411.db2.gz OHOCJJFCNZZABH-LLVKDONJSA-N 2 1 325.413 1.475 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000891806114 590629086 /nfs/dbraw/zinc/62/90/86/590629086.db2.gz VTDHFQZGSOCQCX-MRXNPFEDSA-N 2 1 345.491 1.687 20 0 EDADMP CCO[C@@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)[C@H]1OC ZINC000893047125 590634771 /nfs/dbraw/zinc/63/47/71/590634771.db2.gz KMKQMTLWYHHXSF-LCWAXJCOSA-N 2 1 348.487 1.651 20 0 EDADMP Cc1cnc(Cl)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000891833756 590645221 /nfs/dbraw/zinc/64/52/21/590645221.db2.gz KWAFCBWNMWGIEK-UHFFFAOYSA-N 2 1 338.883 1.933 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891910982 590681923 /nfs/dbraw/zinc/68/19/23/590681923.db2.gz XEBSNQUQYQXPAE-FRRDWIJNSA-N 2 1 338.418 1.885 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000892045965 590769678 /nfs/dbraw/zinc/76/96/78/590769678.db2.gz XSAUTNYMNLMFIW-HHXXYDBFSA-N 2 1 330.476 1.745 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000892140919 590819149 /nfs/dbraw/zinc/81/91/49/590819149.db2.gz FHLLXFMMILPTPJ-YQQAZPJKSA-N 2 1 334.464 1.231 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000892140919 590819151 /nfs/dbraw/zinc/81/91/51/590819151.db2.gz FHLLXFMMILPTPJ-YQQAZPJKSA-N 2 1 334.464 1.231 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000892306825 590928411 /nfs/dbraw/zinc/92/84/11/590928411.db2.gz HJHSLQRQEPSGEX-MXSMSXNCSA-N 2 1 330.476 1.804 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892343149 590971584 /nfs/dbraw/zinc/97/15/84/590971584.db2.gz KJJCRRPQXCLINF-HNNXBMFYSA-N 2 1 330.476 1.816 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000892535853 591063427 /nfs/dbraw/zinc/06/34/27/591063427.db2.gz JOQBKKWVVPDHIP-DOTOQJQBSA-N 2 1 334.464 1.184 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000892535853 591063429 /nfs/dbraw/zinc/06/34/29/591063429.db2.gz JOQBKKWVVPDHIP-DOTOQJQBSA-N 2 1 334.464 1.184 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000891534724 591111763 /nfs/dbraw/zinc/11/17/63/591111763.db2.gz QDPQUDKVFRMLGA-CMKODMSKSA-N 2 1 344.503 1.752 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891537410 591112525 /nfs/dbraw/zinc/11/25/25/591112525.db2.gz BXPXQECUZKNSSE-QZTJIDSGSA-N 2 1 330.476 1.875 20 0 EDADMP COc1cccc([C@@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[NH+](C)C)c1 ZINC000891539289 591116194 /nfs/dbraw/zinc/11/61/94/591116194.db2.gz PDPKTZFTVRWCGX-SOLBZPMBSA-N 2 1 346.475 1.501 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000891567093 591129371 /nfs/dbraw/zinc/12/93/71/591129371.db2.gz VPLOCTYXDALLRZ-LSDHHAIUSA-N 2 1 328.501 1.550 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000891598431 591142779 /nfs/dbraw/zinc/14/27/79/591142779.db2.gz TYFQPBMMMDNKNQ-MRXNPFEDSA-N 2 1 338.496 1.223 20 0 EDADMP Cc1nnc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000892757940 591162765 /nfs/dbraw/zinc/16/27/65/591162765.db2.gz MEUPPYITKRWTOJ-UHFFFAOYSA-N 2 1 332.477 1.543 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000891740910 591206247 /nfs/dbraw/zinc/20/62/47/591206247.db2.gz ZWLVGQVDNYWELN-INIZCTEOSA-N 2 1 328.501 1.421 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1=CC[N@@H+](C)CC1 ZINC000891766085 591216651 /nfs/dbraw/zinc/21/66/51/591216651.db2.gz RBJRFMIFWCZUJS-KBXCAEBGSA-N 2 1 328.460 1.651 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894210123 591231238 /nfs/dbraw/zinc/23/12/38/591231238.db2.gz CCEHMIHNHQPELO-UHFFFAOYSA-N 2 1 341.868 1.928 20 0 EDADMP COC(=O)[C@H]1[C@H](C[NH2+]C2CC[NH+](CCOC(C)C)CC2)C1(F)F ZINC000894324394 591279084 /nfs/dbraw/zinc/27/90/84/591279084.db2.gz ZOVNXCMZQLBRMA-UONOGXRCSA-N 2 1 334.407 1.520 20 0 EDADMP CCOC(=O)c1cccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)n1 ZINC000894376339 591294783 /nfs/dbraw/zinc/29/47/83/591294783.db2.gz SDZYUUNIAJPEGJ-UHFFFAOYSA-N 2 1 334.464 1.376 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@@H]1c1ccccc1 ZINC000895989357 591319272 /nfs/dbraw/zinc/31/92/72/591319272.db2.gz AGZVMWAFRGSCDC-RDGPPVDQSA-N 2 1 343.471 1.659 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@@H]1c1ccccc1 ZINC000895989357 591319274 /nfs/dbraw/zinc/31/92/74/591319274.db2.gz AGZVMWAFRGSCDC-RDGPPVDQSA-N 2 1 343.471 1.659 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)C2)cc1 ZINC000896144808 591357033 /nfs/dbraw/zinc/35/70/33/591357033.db2.gz ZKXGMTJOYJEGSH-CEXWTWQISA-N 2 1 342.487 1.915 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4C[NH+](C)C[C@H]43)C2)cc1 ZINC000896144808 591357034 /nfs/dbraw/zinc/35/70/34/591357034.db2.gz ZKXGMTJOYJEGSH-CEXWTWQISA-N 2 1 342.487 1.915 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4C[NH+](C)C[C@H]43)C2)cc1 ZINC000896144808 591357040 /nfs/dbraw/zinc/35/70/40/591357040.db2.gz ZKXGMTJOYJEGSH-CEXWTWQISA-N 2 1 342.487 1.915 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898591017 591420726 /nfs/dbraw/zinc/42/07/26/591420726.db2.gz NZEPLEVGOQUYOA-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNc2cc[nH+]cc2CO)C1 ZINC000895003546 591514399 /nfs/dbraw/zinc/51/43/99/591514399.db2.gz WXKZZYAZQZJHIR-SFHVURJKSA-N 2 1 327.428 1.617 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC[C@@H]3CCCC[C@@H]3O)cn2)CC1 ZINC000897539353 591541426 /nfs/dbraw/zinc/54/14/26/591541426.db2.gz ZQDPUFCGJSNMBM-IRXDYDNUSA-N 2 1 333.480 1.259 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000896607872 591550307 /nfs/dbraw/zinc/55/03/07/591550307.db2.gz APXMBRPRWMZCOB-HUUCEWRRSA-N 2 1 342.553 1.795 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C1 ZINC000896744770 591599855 /nfs/dbraw/zinc/59/98/55/591599855.db2.gz DSRWYCVUBCGSGJ-RHSMWYFYSA-N 2 1 333.480 1.980 20 0 EDADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000896744770 591599864 /nfs/dbraw/zinc/59/98/64/591599864.db2.gz DSRWYCVUBCGSGJ-RHSMWYFYSA-N 2 1 333.480 1.980 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000896744770 591599867 /nfs/dbraw/zinc/59/98/67/591599867.db2.gz DSRWYCVUBCGSGJ-RHSMWYFYSA-N 2 1 333.480 1.980 20 0 EDADMP CCC[NH+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000896744770 591599869 /nfs/dbraw/zinc/59/98/69/591599869.db2.gz DSRWYCVUBCGSGJ-RHSMWYFYSA-N 2 1 333.480 1.980 20 0 EDADMP CCC[NH+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000896744770 591599872 /nfs/dbraw/zinc/59/98/72/591599872.db2.gz DSRWYCVUBCGSGJ-RHSMWYFYSA-N 2 1 333.480 1.980 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000897077503 591734604 /nfs/dbraw/zinc/73/46/04/591734604.db2.gz LYKQKPBRTIAPSU-NRSFXHEJSA-N 2 1 331.460 1.515 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000897077503 591734605 /nfs/dbraw/zinc/73/46/05/591734605.db2.gz LYKQKPBRTIAPSU-NRSFXHEJSA-N 2 1 331.460 1.515 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000897077503 591734608 /nfs/dbraw/zinc/73/46/08/591734608.db2.gz LYKQKPBRTIAPSU-NRSFXHEJSA-N 2 1 331.460 1.515 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000897077503 591734609 /nfs/dbraw/zinc/73/46/09/591734609.db2.gz LYKQKPBRTIAPSU-NRSFXHEJSA-N 2 1 331.460 1.515 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[NH+](C2CCOCC2)C1 ZINC000895408194 591746555 /nfs/dbraw/zinc/74/65/55/591746555.db2.gz QUMXJMWPPHRRCJ-GOSISDBHSA-N 2 1 343.471 1.488 20 0 EDADMP C[NH+](C)C1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000895418824 591750995 /nfs/dbraw/zinc/75/09/95/591750995.db2.gz ISEDYLGLYRFDBC-BACDZXNISA-N 2 1 338.496 1.100 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)C2C[NH+](C3CCOCC3)C2)[C@H]1c1ccccc1 ZINC000897240778 591782555 /nfs/dbraw/zinc/78/25/55/591782555.db2.gz PTZSMVCWZNOICU-RTBURBONSA-N 2 1 343.471 1.659 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)CC[C@@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000898186627 591827632 /nfs/dbraw/zinc/82/76/32/591827632.db2.gz SIPVROYVILAMQR-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP COCC[NH+](CCOC)C1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000898252808 591837570 /nfs/dbraw/zinc/83/75/70/591837570.db2.gz OGUNKRYLBCCHTP-INIZCTEOSA-N 2 1 341.496 1.057 20 0 EDADMP COCC[NH+](CCOC)C1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000898252808 591837571 /nfs/dbraw/zinc/83/75/71/591837571.db2.gz OGUNKRYLBCCHTP-INIZCTEOSA-N 2 1 341.496 1.057 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)CC[N@@H+]1C ZINC000898282336 591852379 /nfs/dbraw/zinc/85/23/79/591852379.db2.gz AVCSEPTXZPMENS-ZFWWWQNUSA-N 2 1 325.478 1.655 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)CC[N@H+]1C ZINC000898282336 591852383 /nfs/dbraw/zinc/85/23/83/591852383.db2.gz AVCSEPTXZPMENS-ZFWWWQNUSA-N 2 1 325.478 1.655 20 0 EDADMP COc1cn(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C)cc1=O ZINC000902193580 591941811 /nfs/dbraw/zinc/94/18/11/591941811.db2.gz CRNXOAWSNCKZRU-BFYDXBDKSA-N 2 1 335.448 1.306 20 0 EDADMP COc1cn(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C)cc1=O ZINC000902193580 591941813 /nfs/dbraw/zinc/94/18/13/591941813.db2.gz CRNXOAWSNCKZRU-BFYDXBDKSA-N 2 1 335.448 1.306 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000899926799 591983422 /nfs/dbraw/zinc/98/34/22/591983422.db2.gz KARJQCOLOQISEP-HXUWFJFHSA-N 2 1 345.487 1.614 20 0 EDADMP C[C@@H]([NH2+]C[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)C1([NH3+])CC1 ZINC000902382515 591988731 /nfs/dbraw/zinc/98/87/31/591988731.db2.gz HVQNSIOJKXZYHL-ZBFHGGJFSA-N 2 1 349.450 1.313 20 0 EDADMP CNc1ncc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000900339963 591988760 /nfs/dbraw/zinc/98/87/60/591988760.db2.gz VPZUHOHJXFHHJN-UHFFFAOYSA-N 2 1 332.433 1.584 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000900373878 592000351 /nfs/dbraw/zinc/00/03/51/592000351.db2.gz ZZBMUFCMJIYTQE-ICSRJNTNSA-N 2 1 345.487 1.470 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)CC1 ZINC000900599168 592064869 /nfs/dbraw/zinc/06/48/69/592064869.db2.gz QHFSTOPYYGFXKH-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)CC1 ZINC000900599168 592064871 /nfs/dbraw/zinc/06/48/71/592064871.db2.gz QHFSTOPYYGFXKH-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)CC1 ZINC000900599168 592064874 /nfs/dbraw/zinc/06/48/74/592064874.db2.gz QHFSTOPYYGFXKH-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+]1C(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000900642473 592070804 /nfs/dbraw/zinc/07/08/04/592070804.db2.gz GQKABKRWPPQMSB-QGZVFWFLSA-N 2 1 347.507 1.679 20 0 EDADMP Cc1[nH]nc(Cl)c1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900669694 592089787 /nfs/dbraw/zinc/08/97/87/592089787.db2.gz OUVUZLGFDXJEBL-CYBMUJFWSA-N 2 1 339.871 1.612 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1C[NH+](C)CCN1C ZINC000900809936 592131312 /nfs/dbraw/zinc/13/13/12/592131312.db2.gz FPEGVTJTIJLPHB-GDAAHCPNSA-N 2 1 344.503 1.082 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@H]1C[N@H+](C)CCN1C ZINC000900809936 592131315 /nfs/dbraw/zinc/13/13/15/592131315.db2.gz FPEGVTJTIJLPHB-GDAAHCPNSA-N 2 1 344.503 1.082 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@H]1C[N@@H+](C)CCN1C ZINC000900809936 592131316 /nfs/dbraw/zinc/13/13/16/592131316.db2.gz FPEGVTJTIJLPHB-GDAAHCPNSA-N 2 1 344.503 1.082 20 0 EDADMP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900800709 592142655 /nfs/dbraw/zinc/14/26/55/592142655.db2.gz APRTTYIEJJOWOZ-SZMVWBNQSA-N 2 1 332.492 1.430 20 0 EDADMP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900800709 592142657 /nfs/dbraw/zinc/14/26/57/592142657.db2.gz APRTTYIEJJOWOZ-SZMVWBNQSA-N 2 1 332.492 1.430 20 0 EDADMP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900800709 592142658 /nfs/dbraw/zinc/14/26/58/592142658.db2.gz APRTTYIEJJOWOZ-SZMVWBNQSA-N 2 1 332.492 1.430 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]1(CO)COCCN1C ZINC000903278824 592150853 /nfs/dbraw/zinc/15/08/53/592150853.db2.gz HPDCMLCHLWDVIR-RLLQIKCJSA-N 2 1 347.503 1.180 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)C1 ZINC000900888083 592157704 /nfs/dbraw/zinc/15/77/04/592157704.db2.gz YLOOLBGOBOPEBT-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000900896269 592160171 /nfs/dbraw/zinc/16/01/71/592160171.db2.gz UWAMUYKRFFOPMV-NSHGMRRFSA-N 2 1 345.487 1.422 20 0 EDADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900896269 592160174 /nfs/dbraw/zinc/16/01/74/592160174.db2.gz UWAMUYKRFFOPMV-NSHGMRRFSA-N 2 1 345.487 1.422 20 0 EDADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900896269 592160175 /nfs/dbraw/zinc/16/01/75/592160175.db2.gz UWAMUYKRFFOPMV-NSHGMRRFSA-N 2 1 345.487 1.422 20 0 EDADMP C[N@@H+](CC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCC1 ZINC000900898003 592161236 /nfs/dbraw/zinc/16/12/36/592161236.db2.gz DBIGRWBJMLBLHB-LJQANCHMSA-N 2 1 331.460 1.224 20 0 EDADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000900898003 592161238 /nfs/dbraw/zinc/16/12/38/592161238.db2.gz DBIGRWBJMLBLHB-LJQANCHMSA-N 2 1 331.460 1.224 20 0 EDADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000900898003 592161240 /nfs/dbraw/zinc/16/12/40/592161240.db2.gz DBIGRWBJMLBLHB-LJQANCHMSA-N 2 1 331.460 1.224 20 0 EDADMP C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903441838 592172200 /nfs/dbraw/zinc/17/22/00/592172200.db2.gz CBQOJJQFSJTXDD-PWSUYJOCSA-N 2 1 341.253 1.842 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000903442717 592172586 /nfs/dbraw/zinc/17/25/86/592172586.db2.gz ZRYGSSHRYPRPQN-OLZOCXBDSA-N 2 1 339.281 1.822 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCC(=O)Nc1cccc(F)c1)C2 ZINC000903492969 592185799 /nfs/dbraw/zinc/18/57/99/592185799.db2.gz SOENTIQDGIOYPW-WRSAYESZSA-N 2 1 349.406 1.367 20 0 EDADMP COC(=O)c1cccc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)c1 ZINC000903493530 592186149 /nfs/dbraw/zinc/18/61/49/592186149.db2.gz UIMSWFYWGYZNLU-DAYGRLMNSA-N 2 1 332.400 1.186 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)c1 ZINC000903496345 592187755 /nfs/dbraw/zinc/18/77/55/592187755.db2.gz LCVTZXLXNZDYJG-HUUCEWRRSA-N 2 1 332.448 1.868 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)CC1 ZINC000903567954 592223730 /nfs/dbraw/zinc/22/37/30/592223730.db2.gz GTSDXMFAJUEPQZ-LSDHHAIUSA-N 2 1 348.466 1.316 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)C[C@H]3C[C@@H]([NH3+])C3)C2=O)c1 ZINC000904345514 592235285 /nfs/dbraw/zinc/23/52/85/592235285.db2.gz IZFULQVKWOEUKG-AHIWAGSCSA-N 2 1 333.432 1.478 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906656086 592238454 /nfs/dbraw/zinc/23/84/54/592238454.db2.gz PSTZUNSXJDAUAE-MRXNPFEDSA-N 2 1 346.475 1.762 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2C[NH3+])C[C@H]1C ZINC000906657099 592238962 /nfs/dbraw/zinc/23/89/62/592238962.db2.gz KEAPJGYWAZCGII-HIFRSBDPSA-N 2 1 332.448 1.415 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000906661699 592243510 /nfs/dbraw/zinc/24/35/10/592243510.db2.gz SVSSCJVSUXGFRF-SJORKVTESA-N 2 1 336.524 1.393 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000906661699 592243512 /nfs/dbraw/zinc/24/35/12/592243512.db2.gz SVSSCJVSUXGFRF-SJORKVTESA-N 2 1 336.524 1.393 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000906661699 592243516 /nfs/dbraw/zinc/24/35/16/592243516.db2.gz SVSSCJVSUXGFRF-SJORKVTESA-N 2 1 336.524 1.393 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000906661699 592243518 /nfs/dbraw/zinc/24/35/18/592243518.db2.gz SVSSCJVSUXGFRF-SJORKVTESA-N 2 1 336.524 1.393 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000906661699 592243520 /nfs/dbraw/zinc/24/35/20/592243520.db2.gz SVSSCJVSUXGFRF-SJORKVTESA-N 2 1 336.524 1.393 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906663840 592246128 /nfs/dbraw/zinc/24/61/28/592246128.db2.gz IITJZGZPBHGGFY-CYBMUJFWSA-N 2 1 332.448 1.229 20 0 EDADMP CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904384496 592247194 /nfs/dbraw/zinc/24/71/94/592247194.db2.gz LPSNCZLRBRYXQT-WBVHZDCISA-N 2 1 335.452 1.191 20 0 EDADMP CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904384496 592247198 /nfs/dbraw/zinc/24/71/98/592247198.db2.gz LPSNCZLRBRYXQT-WBVHZDCISA-N 2 1 335.452 1.191 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000901157065 592266224 /nfs/dbraw/zinc/26/62/24/592266224.db2.gz KHXJFNOBRQDFLR-WDYCEAGBSA-N 2 1 335.492 1.309 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000901157065 592266227 /nfs/dbraw/zinc/26/62/27/592266227.db2.gz KHXJFNOBRQDFLR-WDYCEAGBSA-N 2 1 335.492 1.309 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000901157065 592266230 /nfs/dbraw/zinc/26/62/30/592266230.db2.gz KHXJFNOBRQDFLR-WDYCEAGBSA-N 2 1 335.492 1.309 20 0 EDADMP Cn1c2ccc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)cc2nc1C1CC1 ZINC000908057429 592278082 /nfs/dbraw/zinc/27/80/82/592278082.db2.gz ZPSLHNYTAHYUFC-IFXJQAMLSA-N 2 1 342.443 1.522 20 0 EDADMP CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc2c(c1)nc(C1CC1)n2C ZINC000908057429 592278083 /nfs/dbraw/zinc/27/80/83/592278083.db2.gz ZPSLHNYTAHYUFC-IFXJQAMLSA-N 2 1 342.443 1.522 20 0 EDADMP O=C1C[C@H](c2ccccc2)[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903723305 592284222 /nfs/dbraw/zinc/28/42/22/592284222.db2.gz UXZFHJPZZUYWHA-QZTJIDSGSA-N 2 1 343.471 1.708 20 0 EDADMP NC(=O)c1ccc(C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903725460 592285258 /nfs/dbraw/zinc/28/52/58/592285258.db2.gz ZVVDJUPHOUVNSX-PKOBYXMFSA-N 2 1 329.444 1.519 20 0 EDADMP C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728559 592286063 /nfs/dbraw/zinc/28/60/63/592286063.db2.gz CCDZOOWXAZLPAL-NVXWUHKLSA-N 2 1 339.386 1.604 20 0 EDADMP C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728559 592286065 /nfs/dbraw/zinc/28/60/65/592286065.db2.gz CCDZOOWXAZLPAL-NVXWUHKLSA-N 2 1 339.386 1.604 20 0 EDADMP COCCOCC[N@H+](Cc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732262 592287960 /nfs/dbraw/zinc/28/79/60/592287960.db2.gz DRZYZTGLBMVRDR-VQTJNVASSA-N 2 1 348.487 1.920 20 0 EDADMP Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903739687 592301361 /nfs/dbraw/zinc/30/13/61/592301361.db2.gz OEVCUULWKBRCKE-KURKYZTESA-N 2 1 333.480 1.376 20 0 EDADMP O[C@H](C[NH+]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)c1ccccc1 ZINC000903739638 592301821 /nfs/dbraw/zinc/30/18/21/592301821.db2.gz NFEAXEOERJLDHX-ZCNNSNEGSA-N 2 1 345.487 1.106 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903741218 592303269 /nfs/dbraw/zinc/30/32/69/592303269.db2.gz ONSRJWFBPJGSGO-MOPGFXCFSA-N 2 1 338.540 1.103 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903742762 592304142 /nfs/dbraw/zinc/30/41/42/592304142.db2.gz ZNVMECSWAUGHLW-ROUUACIJSA-N 3 1 339.524 1.578 20 0 EDADMP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@H]3CCCC[NH2+]C3)OCCN2C)cn1 ZINC000903765858 592308871 /nfs/dbraw/zinc/30/88/71/592308871.db2.gz LIKGBYYYFLAYMY-SZMVWBNQSA-N 2 1 335.496 1.113 20 0 EDADMP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@H]3CCCC[NH2+]C3)OCCN2C)cn1 ZINC000903765858 592308874 /nfs/dbraw/zinc/30/88/74/592308874.db2.gz LIKGBYYYFLAYMY-SZMVWBNQSA-N 2 1 335.496 1.113 20 0 EDADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000906722373 592312162 /nfs/dbraw/zinc/31/21/62/592312162.db2.gz STVZRGYCCCMCLL-JKSUJKDBSA-N 2 1 344.459 1.288 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)cc1 ZINC000906722020 592312336 /nfs/dbraw/zinc/31/23/36/592312336.db2.gz PLKFPPXLKWNCPY-ZDUSSCGKSA-N 2 1 332.448 1.493 20 0 EDADMP CCC[C@@H]1CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC[N@H+]1CCOC ZINC000903756357 592313492 /nfs/dbraw/zinc/31/34/92/592313492.db2.gz QLOOSKUKOHVLCR-KURKYZTESA-N 2 1 325.497 1.188 20 0 EDADMP CCC[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1CCOC ZINC000903756357 592313496 /nfs/dbraw/zinc/31/34/96/592313496.db2.gz QLOOSKUKOHVLCR-KURKYZTESA-N 2 1 325.497 1.188 20 0 EDADMP CCC[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1CCOC ZINC000903756357 592313501 /nfs/dbraw/zinc/31/35/01/592313501.db2.gz QLOOSKUKOHVLCR-KURKYZTESA-N 2 1 325.497 1.188 20 0 EDADMP CNC(=O)C[N@@H+](Cc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903780578 592320654 /nfs/dbraw/zinc/32/06/54/592320654.db2.gz JBHTZCCZHARCCA-QGZVFWFLSA-N 2 1 331.460 1.393 20 0 EDADMP CNC(=O)C[N@H+](Cc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903780578 592320659 /nfs/dbraw/zinc/32/06/59/592320659.db2.gz JBHTZCCZHARCCA-QGZVFWFLSA-N 2 1 331.460 1.393 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCC[C@H]2CN2CCOCC2)cnn1C ZINC000903891091 592352699 /nfs/dbraw/zinc/35/26/99/592352699.db2.gz JNZIGQRIRQPLAJ-HKUYNNGSSA-N 2 1 349.523 1.033 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH+]2CCN(c3ccccc3)CC2)cnn1C ZINC000903872814 592355006 /nfs/dbraw/zinc/35/50/06/592355006.db2.gz JHPURRMOKIVJPY-QGZVFWFLSA-N 2 1 327.476 1.668 20 0 EDADMP CN(CC[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903893069 592366745 /nfs/dbraw/zinc/36/67/45/592366745.db2.gz PROJMKOWQDZGCS-QGZVFWFLSA-N 2 1 328.464 1.771 20 0 EDADMP CN(CC[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903893069 592366750 /nfs/dbraw/zinc/36/67/50/592366750.db2.gz PROJMKOWQDZGCS-QGZVFWFLSA-N 2 1 328.464 1.771 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@](C)(O)C(F)F)CC1 ZINC000905034505 592372443 /nfs/dbraw/zinc/37/24/43/592372443.db2.gz KLPLPRTWLRDMBP-SFHVURJKSA-N 2 1 341.446 1.930 20 0 EDADMP CC[NH+](CC)CC1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903906237 592373828 /nfs/dbraw/zinc/37/38/28/592373828.db2.gz UDBJTLVSYIFXEJ-QGZVFWFLSA-N 3 1 334.512 1.756 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cnn1C ZINC000903913975 592376111 /nfs/dbraw/zinc/37/61/11/592376111.db2.gz QYDMDMPSDIUQIU-HZPDHXFCSA-N 2 1 330.480 1.459 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000903932962 592385159 /nfs/dbraw/zinc/38/51/59/592385159.db2.gz INLYDCZEKIOUIN-NXHRZFHOSA-N 2 1 331.464 1.595 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000903978209 592399115 /nfs/dbraw/zinc/39/91/15/592399115.db2.gz AAWMYOCQNZBFKP-WCQYABFASA-N 2 1 337.361 1.550 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CC1(O)CCCCC1 ZINC000905108451 592410058 /nfs/dbraw/zinc/41/00/58/592410058.db2.gz AFMOTNWWGLDQNV-QZTJIDSGSA-N 2 1 340.508 1.666 20 0 EDADMP [NH3+][C@H](Cc1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1)Cc1ccccc1 ZINC000904100008 592425056 /nfs/dbraw/zinc/42/50/56/592425056.db2.gz VDXSVEPNOQTMRO-JYJNAYRXSA-N 2 1 328.416 1.718 20 0 EDADMP [NH3+][C@H](Cc1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1)Cc1ccccc1 ZINC000904100008 592425057 /nfs/dbraw/zinc/42/50/57/592425057.db2.gz VDXSVEPNOQTMRO-JYJNAYRXSA-N 2 1 328.416 1.718 20 0 EDADMP C[NH2+]CCOc1ccccc1-c1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000904100477 592425666 /nfs/dbraw/zinc/42/56/66/592425666.db2.gz YYLWVILDOURDTD-BBRMVZONSA-N 2 1 344.415 1.871 20 0 EDADMP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000905140228 592433526 /nfs/dbraw/zinc/43/35/26/592433526.db2.gz UBZUAEUUUDPIIT-LISAXSMJSA-N 2 1 326.481 1.933 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2nccn2C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000904302624 592472161 /nfs/dbraw/zinc/47/21/61/592472161.db2.gz XHCHCGSYVPHTNT-HOCLYGCPSA-N 2 1 331.464 1.298 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2nccn2C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000904302624 592472165 /nfs/dbraw/zinc/47/21/65/592472165.db2.gz XHCHCGSYVPHTNT-HOCLYGCPSA-N 2 1 331.464 1.298 20 0 EDADMP O[C@H](CNc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C[NH+]1CCCC1 ZINC000905438526 592534920 /nfs/dbraw/zinc/53/49/20/592534920.db2.gz LFCCRRDNIIDEKI-VQTJNVASSA-N 2 1 344.503 1.840 20 0 EDADMP CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000905504801 592546893 /nfs/dbraw/zinc/54/68/93/592546893.db2.gz YGJIVLORWBNZDN-FVVUREQNSA-N 2 1 342.524 1.623 20 0 EDADMP CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000908612601 592561671 /nfs/dbraw/zinc/56/16/71/592561671.db2.gz KTYHFHHXFUVBCD-MRXNPFEDSA-N 2 1 349.479 1.142 20 0 EDADMP CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000908612601 592561673 /nfs/dbraw/zinc/56/16/73/592561673.db2.gz KTYHFHHXFUVBCD-MRXNPFEDSA-N 2 1 349.479 1.142 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CC)C2CC[NH+](C)CC2)C1 ZINC000908915488 592659332 /nfs/dbraw/zinc/65/93/32/592659332.db2.gz AURBZXDGYVMHKZ-OAHLLOKOSA-N 2 1 339.480 1.204 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906223685 592761709 /nfs/dbraw/zinc/76/17/09/592761709.db2.gz VIGPNHCTBDRXBA-IAGOWNOFSA-N 2 1 345.491 1.437 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000907745471 592769068 /nfs/dbraw/zinc/76/90/68/592769068.db2.gz ZAYITXVZZFEEBM-HOTGVXAUSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000907745471 592769070 /nfs/dbraw/zinc/76/90/70/592769070.db2.gz ZAYITXVZZFEEBM-HOTGVXAUSA-N 2 1 339.480 1.204 20 0 EDADMP CC[NH+](CCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)CCC(F)(F)F ZINC000907725632 592771950 /nfs/dbraw/zinc/77/19/50/592771950.db2.gz ALKBZGZVULYINV-AWEZNQCLSA-N 2 1 339.402 1.224 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000907862340 592819366 /nfs/dbraw/zinc/81/93/66/592819366.db2.gz RAMRLMVDZQWPEL-AZUAARDMSA-N 2 1 345.487 1.472 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c2c(nn1C)CCC2 ZINC000906490394 592831096 /nfs/dbraw/zinc/83/10/96/592831096.db2.gz YNIPNDGZPLURLK-HNNXBMFYSA-N 2 1 347.507 1.397 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccn1CCN1CCOCC1 ZINC000906644416 592865371 /nfs/dbraw/zinc/86/53/71/592865371.db2.gz NOTANYMNJUHKJG-KRWDZBQOSA-N 2 1 348.491 1.425 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906645772 592865781 /nfs/dbraw/zinc/86/57/81/592865781.db2.gz NAIXQMSMHNCTQP-OAHLLOKOSA-N 2 1 346.475 1.712 20 0 EDADMP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000911635637 592971686 /nfs/dbraw/zinc/97/16/86/592971686.db2.gz KPMPAAMIWDPDIZ-SQNIBIBYSA-N 2 1 329.444 1.240 20 0 EDADMP O=C([C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1)N1CC[NH2+]Cc2ccccc21 ZINC000911761859 593006619 /nfs/dbraw/zinc/00/66/19/593006619.db2.gz UGWSPCGUUKMNPX-HFTRVMKXSA-N 2 1 329.444 1.670 20 0 EDADMP C[NH+]1CCC(N(CCO)C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000911941363 593040358 /nfs/dbraw/zinc/04/03/58/593040358.db2.gz OLIQGCBFIZTNMA-UHFFFAOYSA-N 2 1 345.487 1.350 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912030723 593050097 /nfs/dbraw/zinc/05/00/97/593050097.db2.gz ZQVDTOGWDAZZNN-IAGOWNOFSA-N 2 1 337.508 1.903 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)COCc2ccccn2)CC1 ZINC000807584205 593183011 /nfs/dbraw/zinc/18/30/11/593183011.db2.gz VPXLXOSBBAYTRD-UHFFFAOYSA-N 2 1 341.415 1.384 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H]2CCn3ccnc32)CC[N@H+]1CCOC ZINC000838632880 593198582 /nfs/dbraw/zinc/19/85/82/593198582.db2.gz ICEQZTHYLZOUAL-LSDHHAIUSA-N 2 1 335.452 1.470 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H]2CCn3ccnc32)CCN1CCOC ZINC000838632880 593198585 /nfs/dbraw/zinc/19/85/85/593198585.db2.gz ICEQZTHYLZOUAL-LSDHHAIUSA-N 2 1 335.452 1.470 20 0 EDADMP CC(C)[C@@H]1N(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C(=O)[C@@]12CCCO2 ZINC000840025442 593388220 /nfs/dbraw/zinc/38/82/20/593388220.db2.gz CGYXEJFWDDQQFZ-MJQMVNBJSA-N 2 1 335.492 1.776 20 0 EDADMP Cn1c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2oc1=O ZINC000816549474 593531174 /nfs/dbraw/zinc/53/11/74/593531174.db2.gz OZTDCAKFSMAAFI-MRXNPFEDSA-N 2 1 345.443 1.865 20 0 EDADMP Cn1c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2oc1=O ZINC000816556503 593531723 /nfs/dbraw/zinc/53/17/23/593531723.db2.gz LFLQCDMQANVRMH-DOTOQJQBSA-N 2 1 345.443 1.599 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000817778669 593631226 /nfs/dbraw/zinc/63/12/26/593631226.db2.gz TZNSRUHHKCZYEC-IAGOWNOFSA-N 2 1 338.496 1.365 20 0 EDADMP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000819043346 593735231 /nfs/dbraw/zinc/73/52/31/593735231.db2.gz SHBBMEKBJRBPQL-SFHVURJKSA-N 2 1 333.476 1.561 20 0 EDADMP C[NH+](C)C1CC(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000819680497 593763123 /nfs/dbraw/zinc/76/31/23/593763123.db2.gz MUEZOYPQCNBYOZ-HTWSVDAQSA-N 2 1 331.460 1.393 20 0 EDADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623440 593884910 /nfs/dbraw/zinc/88/49/10/593884910.db2.gz LILCJQGEKDXPGT-HOCLYGCPSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623440 593884911 /nfs/dbraw/zinc/88/49/11/593884911.db2.gz LILCJQGEKDXPGT-HOCLYGCPSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623440 593884912 /nfs/dbraw/zinc/88/49/12/593884912.db2.gz LILCJQGEKDXPGT-HOCLYGCPSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623440 593884913 /nfs/dbraw/zinc/88/49/13/593884913.db2.gz LILCJQGEKDXPGT-HOCLYGCPSA-N 2 1 330.411 1.922 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccnc2-n2ccnc2)CC1 ZINC000820807822 593894525 /nfs/dbraw/zinc/89/45/25/593894525.db2.gz RRZZCMIHUBISBI-UHFFFAOYSA-N 2 1 329.448 1.592 20 0 EDADMP COCc1nc2n(n1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CC2 ZINC000820823814 593898109 /nfs/dbraw/zinc/89/81/09/593898109.db2.gz PKESPQMYSJWCGJ-WPXLMEDKSA-N 2 1 331.464 1.487 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NOCC1CCC1 ZINC000824062049 593921254 /nfs/dbraw/zinc/92/12/54/593921254.db2.gz PCAHFNFDNFJHTL-INIZCTEOSA-N 2 1 326.485 1.776 20 0 EDADMP COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Cl)n1 ZINC000824819955 594079697 /nfs/dbraw/zinc/07/96/97/594079697.db2.gz RXOXKYWAVBINIF-LBPRGKRZSA-N 2 1 342.871 1.745 20 0 EDADMP COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Cl)n1 ZINC000824819955 594079698 /nfs/dbraw/zinc/07/96/98/594079698.db2.gz RXOXKYWAVBINIF-LBPRGKRZSA-N 2 1 342.871 1.745 20 0 EDADMP C[C@@H]([NH3+])CCc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000822926040 594122905 /nfs/dbraw/zinc/12/29/05/594122905.db2.gz RDJXMSHWWJUDDD-CYBMUJFWSA-N 2 1 343.431 1.404 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ncccn1 ZINC000822987087 594132078 /nfs/dbraw/zinc/13/20/78/594132078.db2.gz LPTGBXVHZWEUQY-OAHLLOKOSA-N 2 1 334.468 1.034 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC000828956266 594537222 /nfs/dbraw/zinc/53/72/22/594537222.db2.gz LFDBPAIRTLJMNQ-KGLIPLIRSA-N 2 1 340.855 1.270 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CCCCC[NH3+])cc2)CC1 ZINC000827090567 594638736 /nfs/dbraw/zinc/63/87/36/594638736.db2.gz BBEOSSUZMCQMSS-UHFFFAOYSA-N 2 1 346.475 1.210 20 0 EDADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000829578361 594644352 /nfs/dbraw/zinc/64/43/52/594644352.db2.gz DGEAMEDCLUSNCG-KRWDZBQOSA-N 2 1 338.540 1.449 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000827240898 594655600 /nfs/dbraw/zinc/65/56/00/594655600.db2.gz QGMVTLAXWJMCGF-MJGOQNOKSA-N 2 1 328.460 1.767 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000841721045 594943144 /nfs/dbraw/zinc/94/31/44/594943144.db2.gz BZHJFTZTULNQBV-SWLSCSKDSA-N 2 1 328.420 1.373 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cn1 ZINC000841721234 594943201 /nfs/dbraw/zinc/94/32/01/594943201.db2.gz DVYQHIBTSMCSJM-CJNGLKHVSA-N 2 1 342.447 1.987 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+]1CCCCC1 ZINC000837768924 595190643 /nfs/dbraw/zinc/19/06/43/595190643.db2.gz XDHIAMCGQHKBPJ-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000844178206 595293496 /nfs/dbraw/zinc/29/34/96/595293496.db2.gz WJJLBYPRVBLAAT-RTBURBONSA-N 2 1 345.487 1.926 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000844194921 595299586 /nfs/dbraw/zinc/29/95/86/595299586.db2.gz NNAMSCUYEAJMIK-UHFFFAOYSA-N 2 1 329.404 1.299 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)cn1 ZINC000843183238 595300798 /nfs/dbraw/zinc/30/07/98/595300798.db2.gz BBZBIUBKNQRGGB-CYBMUJFWSA-N 2 1 342.428 1.873 20 0 EDADMP CN(C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)C1CCC([NH3+])CC1 ZINC000844205944 595301643 /nfs/dbraw/zinc/30/16/43/595301643.db2.gz SNOPOYBQULQDHV-CTWPCTMYSA-N 2 1 344.503 1.703 20 0 EDADMP C[NH+](C)CCOc1cc(-c2noc(C[NH2+]C[C@@H]3CCCO3)n2)ccn1 ZINC000843191977 595302242 /nfs/dbraw/zinc/30/22/42/595302242.db2.gz PUAUSFAAQIXRRB-AWEZNQCLSA-N 2 1 347.419 1.341 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000848024184 595305998 /nfs/dbraw/zinc/30/59/98/595305998.db2.gz FPJPBMNQVPTOCX-WMLDXEAASA-N 2 1 331.476 1.408 20 0 EDADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1COC2(CCOCC2)O1 ZINC000848539002 595404087 /nfs/dbraw/zinc/40/40/87/595404087.db2.gz GFZHEHJPVDKQPZ-IRXDYDNUSA-N 2 1 340.464 1.142 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc(CC[NH2+]C4CC4)n3)cn2)CC1 ZINC000848626393 595418940 /nfs/dbraw/zinc/41/89/40/595418940.db2.gz RCLJVXOPHMPCAR-UHFFFAOYSA-N 2 1 342.447 1.568 20 0 EDADMP Cc1ccc(NC(=[NH2+])NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1C ZINC000849072874 595478474 /nfs/dbraw/zinc/47/84/74/595478474.db2.gz OHYFNCATQURUBL-HNNXBMFYSA-N 2 1 331.464 1.827 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(SC)CC[NH+](C)CC1 ZINC000849085137 595480037 /nfs/dbraw/zinc/48/00/37/595480037.db2.gz ZBHANFCRDACBKW-CQSZACIVSA-N 3 1 327.542 1.412 20 0 EDADMP CC[NH+](CC)CCCNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849485921 595547562 /nfs/dbraw/zinc/54/75/62/595547562.db2.gz YXEJOLZWKSLLSI-SJORKVTESA-N 2 1 335.496 1.304 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC[NH+]2CCCCC2)cn1 ZINC000849501591 595553102 /nfs/dbraw/zinc/55/31/02/595553102.db2.gz WXHNAFRVJSHIBM-IRXDYDNUSA-N 2 1 333.480 1.058 20 0 EDADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849540973 595559603 /nfs/dbraw/zinc/55/96/03/595559603.db2.gz KLPZJIWGGLVARR-MSOLQXFVSA-N 2 1 349.523 1.694 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)C1 ZINC000852857979 595579117 /nfs/dbraw/zinc/57/91/17/595579117.db2.gz LNNONKDVUJXINH-RHSMWYFYSA-N 2 1 344.459 1.638 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NCC[C@@H](C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849606801 595593458 /nfs/dbraw/zinc/59/34/58/595593458.db2.gz CRCOPMYQOALCTH-BPQIPLTHSA-N 2 1 349.523 1.690 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C[C@H](O)c2cccc(F)c2)CC1 ZINC000109754839 595721704 /nfs/dbraw/zinc/72/17/04/595721704.db2.gz DMNQEOVAPGRQGF-OALUTQOASA-N 2 1 335.467 1.961 20 0 EDADMP O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N1C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000853575308 595810830 /nfs/dbraw/zinc/81/08/30/595810830.db2.gz DHTJKSZXEAJTBX-TVFCKZIOSA-N 2 1 339.439 1.403 20 0 EDADMP O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N1C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000853575308 595810831 /nfs/dbraw/zinc/81/08/31/595810831.db2.gz DHTJKSZXEAJTBX-TVFCKZIOSA-N 2 1 339.439 1.403 20 0 EDADMP O=C1[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)N1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853575308 595810834 /nfs/dbraw/zinc/81/08/34/595810834.db2.gz DHTJKSZXEAJTBX-TVFCKZIOSA-N 2 1 339.439 1.403 20 0 EDADMP O=C1[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)N1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853575308 595810836 /nfs/dbraw/zinc/81/08/36/595810836.db2.gz DHTJKSZXEAJTBX-TVFCKZIOSA-N 2 1 339.439 1.403 20 0 EDADMP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000855734729 595811453 /nfs/dbraw/zinc/81/14/53/595811453.db2.gz GXBNQTFRQDNIQL-LJQANCHMSA-N 2 1 345.487 1.484 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000855734729 595811455 /nfs/dbraw/zinc/81/14/55/595811455.db2.gz GXBNQTFRQDNIQL-LJQANCHMSA-N 2 1 345.487 1.484 20 0 EDADMP C[NH+](C)CCC[N@H+](C)CCNc1ncnc2c1cnn2C(C)(C)C ZINC000853800029 595884250 /nfs/dbraw/zinc/88/42/50/595884250.db2.gz XSVWNTAKCPKSTR-UHFFFAOYSA-N 2 1 333.484 1.877 20 0 EDADMP C[NH+](C)CCC[N@@H+](C)CCNc1ncnc2c1cnn2C(C)(C)C ZINC000853800029 595884253 /nfs/dbraw/zinc/88/42/53/595884253.db2.gz XSVWNTAKCPKSTR-UHFFFAOYSA-N 2 1 333.484 1.877 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000859215579 596006442 /nfs/dbraw/zinc/00/64/42/596006442.db2.gz KSBWANDICVFEMM-HZPDHXFCSA-N 2 1 333.476 1.816 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000859215579 596006447 /nfs/dbraw/zinc/00/64/47/596006447.db2.gz KSBWANDICVFEMM-HZPDHXFCSA-N 2 1 333.476 1.816 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857163524 596172950 /nfs/dbraw/zinc/17/29/50/596172950.db2.gz ZVQFABVSDCDVDY-PKOBYXMFSA-N 2 1 333.476 1.538 20 0 EDADMP Cn1nnnc1CC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000866663931 596284581 /nfs/dbraw/zinc/28/45/81/596284581.db2.gz PASKLSZAABRKGR-IAGOWNOFSA-N 2 1 328.464 1.425 20 0 EDADMP Cc1ccc([C@@H](O)[C@@H](C)n2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000864631995 596291255 /nfs/dbraw/zinc/29/12/55/596291255.db2.gz SJWBPDMDICLLEQ-BEFAXECRSA-N 2 1 343.475 1.847 20 0 EDADMP O=C1CC2(CCOCC2)[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCN1 ZINC000866697111 596298026 /nfs/dbraw/zinc/29/80/26/596298026.db2.gz GBYALWUHNFSFEK-UHFFFAOYSA-N 2 1 329.444 1.203 20 0 EDADMP O=C1CC2(CCOCC2)[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCN1 ZINC000866697111 596298027 /nfs/dbraw/zinc/29/80/27/596298027.db2.gz GBYALWUHNFSFEK-UHFFFAOYSA-N 2 1 329.444 1.203 20 0 EDADMP Cc1cc(=O)n2nc(C[N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)sc2n1 ZINC000866704291 596301332 /nfs/dbraw/zinc/30/13/32/596301332.db2.gz NEXDWCOHBXIBNJ-MRXNPFEDSA-N 2 1 335.477 1.656 20 0 EDADMP Cc1cc(=O)n2nc(C[N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)sc2n1 ZINC000866704291 596301334 /nfs/dbraw/zinc/30/13/34/596301334.db2.gz NEXDWCOHBXIBNJ-MRXNPFEDSA-N 2 1 335.477 1.656 20 0 EDADMP CCN1CC[NH+](CCC(=O)Nc2ccc(C[NH+](C)C)cc2OC)CC1 ZINC000868813705 596315412 /nfs/dbraw/zinc/31/54/12/596315412.db2.gz APRMEBJFEUMQGM-UHFFFAOYSA-N 2 1 348.491 1.723 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863230159 596524033 /nfs/dbraw/zinc/52/40/33/596524033.db2.gz FISZTLBHAZFJEJ-INIZCTEOSA-N 2 1 340.537 1.190 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000863230159 596524036 /nfs/dbraw/zinc/52/40/36/596524036.db2.gz FISZTLBHAZFJEJ-INIZCTEOSA-N 2 1 340.537 1.190 20 0 EDADMP C[C@]1(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CC[NH2+]C1 ZINC000863654280 596645132 /nfs/dbraw/zinc/64/51/32/596645132.db2.gz VSGFMXZOZGDSBD-HAFSJTIUSA-N 2 1 345.409 1.717 20 0 EDADMP [NH3+][C@H]1C[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000868111142 596690466 /nfs/dbraw/zinc/69/04/66/596690466.db2.gz ZEUBYBCDZWMTRK-WKILWMFISA-N 2 1 332.448 1.420 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC([NH+]2CCC2)CC1 ZINC000863948411 596724549 /nfs/dbraw/zinc/72/45/49/596724549.db2.gz PSELZXRFHIBIND-GOSISDBHSA-N 2 1 342.487 1.990 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868228685 596735958 /nfs/dbraw/zinc/73/59/58/596735958.db2.gz HBISRBPHSZDPGK-OWCLPIDISA-N 2 1 330.432 1.040 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000868229548 596735970 /nfs/dbraw/zinc/73/59/70/596735970.db2.gz OJWKGYVXTMSPRK-YESZJQIVSA-N 2 1 342.443 1.040 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)/C=C\CN2CCOCC2)C1 ZINC000868243019 596742194 /nfs/dbraw/zinc/74/21/94/596742194.db2.gz DRZRUNZTSUZIJE-YVMONPNESA-N 2 1 329.444 1.218 20 0 EDADMP CN(Cc1ccccc1)C1CN(C(=O)/C=C\CN2CCOCC2)C1 ZINC000868243019 596742195 /nfs/dbraw/zinc/74/21/95/596742195.db2.gz DRZRUNZTSUZIJE-YVMONPNESA-N 2 1 329.444 1.218 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)ccc1Cl ZINC000868303659 596778030 /nfs/dbraw/zinc/77/80/30/596778030.db2.gz JVNXPEXEGIYUOC-KLPPZKSPSA-N 2 1 338.839 1.194 20 0 EDADMP O=C(OCc1ccccc1)[C@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000872237902 596849507 /nfs/dbraw/zinc/84/95/07/596849507.db2.gz QTIVMNCHUJMAHM-BZSNNMDCSA-N 2 1 332.444 1.555 20 0 EDADMP COCC(C)(C)CCNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000876325949 597169562 /nfs/dbraw/zinc/16/95/62/597169562.db2.gz ZTZOWYUKZPJBTC-UHFFFAOYSA-N 2 1 342.528 1.717 20 0 EDADMP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4C)n2)CC1 ZINC000874835133 597191823 /nfs/dbraw/zinc/19/18/23/597191823.db2.gz XDXQBPZGIXOPCL-IRXDYDNUSA-N 2 1 343.475 1.142 20 0 EDADMP COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873210308 597228764 /nfs/dbraw/zinc/22/87/64/597228764.db2.gz BPULGIQUHFQDMF-DZGCQCFKSA-N 2 1 340.489 1.240 20 0 EDADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000873224161 597231989 /nfs/dbraw/zinc/23/19/89/597231989.db2.gz YJIKYPRTEJHXBZ-GOSISDBHSA-N 3 1 338.540 1.484 20 0 EDADMP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000873263441 597242656 /nfs/dbraw/zinc/24/26/56/597242656.db2.gz WXIVOVDRUVYDLJ-XJKSGUPXSA-N 2 1 325.478 1.257 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876719337 597302933 /nfs/dbraw/zinc/30/29/33/597302933.db2.gz IWGDYIVCDCZUJE-QAPCUYQASA-N 2 1 332.492 1.424 20 0 EDADMP COC[C@@]1(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C[NH2+]CCO1 ZINC000876719684 597303542 /nfs/dbraw/zinc/30/35/42/597303542.db2.gz SEYRSHXEDJZBIZ-LJQANCHMSA-N 2 1 349.475 1.148 20 0 EDADMP CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000876737695 597315005 /nfs/dbraw/zinc/31/50/05/597315005.db2.gz VUHTZOIDDIIPQT-SZMVWBNQSA-N 2 1 332.492 1.559 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876742374 597317592 /nfs/dbraw/zinc/31/75/92/597317592.db2.gz XKTFDNPYFCVWBW-KBXIAJHMSA-N 2 1 329.435 1.939 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876745866 597319247 /nfs/dbraw/zinc/31/92/47/597319247.db2.gz RJDOOZKHBWTJOX-UHFFFAOYSA-N 2 1 340.493 1.227 20 0 EDADMP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000876893747 597373354 /nfs/dbraw/zinc/37/33/54/597373354.db2.gz QNBOSKMCEANNNG-LSDHHAIUSA-N 2 1 347.850 1.707 20 0 EDADMP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000876893747 597373358 /nfs/dbraw/zinc/37/33/58/597373358.db2.gz QNBOSKMCEANNNG-LSDHHAIUSA-N 2 1 347.850 1.707 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000876961703 597398193 /nfs/dbraw/zinc/39/81/93/597398193.db2.gz VYSFUKDHWAWMGQ-GVDBMIGSSA-N 2 1 331.460 1.243 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876967667 597400680 /nfs/dbraw/zinc/40/06/80/597400680.db2.gz KHWIZRRCIASHOH-KZNAEPCWSA-N 2 1 333.451 1.709 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000877230073 597470034 /nfs/dbraw/zinc/47/00/34/597470034.db2.gz WOWBTLPYWJNPNK-AEFFLSMTSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000877230073 597470036 /nfs/dbraw/zinc/47/00/36/597470036.db2.gz WOWBTLPYWJNPNK-AEFFLSMTSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877250295 597479648 /nfs/dbraw/zinc/47/96/48/597479648.db2.gz OOQQFSBWHJTDBW-XHSDSOJGSA-N 2 1 331.464 1.282 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)cc2)CC1 ZINC000877283743 597486553 /nfs/dbraw/zinc/48/65/53/597486553.db2.gz QPASUKAAKRMQPV-RBUKOAKNSA-N 2 1 342.487 1.401 20 0 EDADMP [NH3+][C@H](C[C@@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1)C1CCCC1 ZINC000877451908 597517306 /nfs/dbraw/zinc/51/73/06/597517306.db2.gz MUBQWTFISYRRHJ-XJKSGUPXSA-N 2 1 345.491 1.815 20 0 EDADMP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H]1COc2ccccc2O1 ZINC000877905586 597563277 /nfs/dbraw/zinc/56/32/77/597563277.db2.gz OTUFTLBJRMXVDY-MRXNPFEDSA-N 2 1 347.459 1.359 20 0 EDADMP CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H]1COc2ccccc2O1 ZINC000877905586 597563278 /nfs/dbraw/zinc/56/32/78/597563278.db2.gz OTUFTLBJRMXVDY-MRXNPFEDSA-N 2 1 347.459 1.359 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)NC(=O)Nc3ccccc3)CC[C@H]21 ZINC000879569218 597635609 /nfs/dbraw/zinc/63/56/09/597635609.db2.gz LGCPLJBHHNIRBF-GDBMZVCRSA-N 2 1 330.432 1.751 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)NC(=O)Nc3ccccc3)CC[C@H]21 ZINC000879569218 597635612 /nfs/dbraw/zinc/63/56/12/597635612.db2.gz LGCPLJBHHNIRBF-GDBMZVCRSA-N 2 1 330.432 1.751 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)NC(=O)Nc3ccccc3)CC[C@H]21 ZINC000879569218 597635614 /nfs/dbraw/zinc/63/56/14/597635614.db2.gz LGCPLJBHHNIRBF-GDBMZVCRSA-N 2 1 330.432 1.751 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)NC(=O)Nc3ccccc3)CC[C@H]21 ZINC000879569218 597635615 /nfs/dbraw/zinc/63/56/15/597635615.db2.gz LGCPLJBHHNIRBF-GDBMZVCRSA-N 2 1 330.432 1.751 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000883105505 597651740 /nfs/dbraw/zinc/65/17/40/597651740.db2.gz MBJYBJPWYZYHBW-INIZCTEOSA-N 2 1 334.464 1.520 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(c3cc[nH+]cc3)[C@@H](C)C1)C2 ZINC000881634216 597666546 /nfs/dbraw/zinc/66/65/46/597666546.db2.gz XMOCKDOLCLRTTO-GOEBONIOSA-N 2 1 339.443 1.886 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCN1c1cc[nH+]cc1 ZINC000883149371 597667980 /nfs/dbraw/zinc/66/79/80/597667980.db2.gz YHWQHIWBUYPOCB-KBAYOESNSA-N 2 1 343.475 1.929 20 0 EDADMP OCC1(C[C@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)CCCC1 ZINC000878694133 597680795 /nfs/dbraw/zinc/68/07/95/597680795.db2.gz NHDMCHMSOMTMDQ-KRWDZBQOSA-N 2 1 340.508 1.117 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC000878864027 597738390 /nfs/dbraw/zinc/73/83/90/597738390.db2.gz NFNNAZMDHDIEQV-KRWDZBQOSA-N 2 1 341.496 1.680 20 0 EDADMP F[C@@H]1C[NH2+][C@H](CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C1 ZINC000883435988 597745581 /nfs/dbraw/zinc/74/55/81/597745581.db2.gz HWPWQVIRVBXXMC-HOTGVXAUSA-N 2 1 335.471 1.756 20 0 EDADMP CCN(C#N)CC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000879018403 597788299 /nfs/dbraw/zinc/78/82/99/597788299.db2.gz FAAWVVJSOACTMG-SFHVURJKSA-N 2 1 331.464 1.789 20 0 EDADMP CCN(C#N)CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000879018403 597788301 /nfs/dbraw/zinc/78/83/01/597788301.db2.gz FAAWVVJSOACTMG-SFHVURJKSA-N 2 1 331.464 1.789 20 0 EDADMP CCN(C#N)CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000879018403 597788302 /nfs/dbraw/zinc/78/83/02/597788302.db2.gz FAAWVVJSOACTMG-SFHVURJKSA-N 2 1 331.464 1.789 20 0 EDADMP CCN(C#N)CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000879018403 597788304 /nfs/dbraw/zinc/78/83/04/597788304.db2.gz FAAWVVJSOACTMG-SFHVURJKSA-N 2 1 331.464 1.789 20 0 EDADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)N[C@H]1CC[NH2+]C1 ZINC000883585582 597813637 /nfs/dbraw/zinc/81/36/37/597813637.db2.gz RHDSKEHMXDQRHE-RDJZCZTQSA-N 2 1 329.448 1.454 20 0 EDADMP [NH3+]C[C@H](NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000883586621 597815097 /nfs/dbraw/zinc/81/50/97/597815097.db2.gz OXRIGQMHOLDHNI-MSOLQXFVSA-N 2 1 343.475 1.830 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883587041 597815539 /nfs/dbraw/zinc/81/55/39/597815539.db2.gz YRTMRFKDCPXNGC-AEFFLSMTSA-N 2 1 343.475 1.845 20 0 EDADMP C[C@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CCN1c1cc[nH+]cc1 ZINC000882619108 598004557 /nfs/dbraw/zinc/00/45/57/598004557.db2.gz BTSJKTOLZGUDMA-AWEZNQCLSA-N 2 1 338.477 1.016 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000884179706 598016799 /nfs/dbraw/zinc/01/67/99/598016799.db2.gz YSFZJQFACJNTEX-GOSISDBHSA-N 2 1 347.459 1.222 20 0 EDADMP COCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000884427162 598101852 /nfs/dbraw/zinc/10/18/52/598101852.db2.gz KESFQCQZNLNZSX-GOSISDBHSA-N 2 1 345.443 1.892 20 0 EDADMP COCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000884427162 598101853 /nfs/dbraw/zinc/10/18/53/598101853.db2.gz KESFQCQZNLNZSX-GOSISDBHSA-N 2 1 345.443 1.892 20 0 EDADMP C[N@@H+](CCNS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2)C1CCCC1 ZINC000914068863 695058843 /nfs/dbraw/zinc/05/88/43/695058843.db2.gz QUOOFYJIYLHMEE-INIZCTEOSA-N 2 1 329.510 1.266 20 0 EDADMP C[NH+](CCNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)C1CCCC1 ZINC000914068863 695058846 /nfs/dbraw/zinc/05/88/46/695058846.db2.gz QUOOFYJIYLHMEE-INIZCTEOSA-N 2 1 329.510 1.266 20 0 EDADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040744938 695196658 /nfs/dbraw/zinc/19/66/58/695196658.db2.gz FKFLOPXHUFDQJS-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040744938 695196660 /nfs/dbraw/zinc/19/66/60/695196660.db2.gz FKFLOPXHUFDQJS-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CCC[C@H]([NH2+]CC3CC3)[C@@H]2C1 ZINC000992854644 695410024 /nfs/dbraw/zinc/41/00/24/695410024.db2.gz IUVZNPTYUNOVGM-KSZLIROESA-N 2 1 335.492 1.335 20 0 EDADMP O=C(NC1C[NH+](CCC2CCOCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001031082711 695486117 /nfs/dbraw/zinc/48/61/17/695486117.db2.gz UCHMHZRZNAAXCH-QZTJIDSGSA-N 2 1 335.492 1.620 20 0 EDADMP O=C(NC1C[NH+](CCC2CCOCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001031082711 695486119 /nfs/dbraw/zinc/48/61/19/695486119.db2.gz UCHMHZRZNAAXCH-QZTJIDSGSA-N 2 1 335.492 1.620 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](CCC3CCOCC3)C2)cc1 ZINC001031104250 695527177 /nfs/dbraw/zinc/52/71/77/695527177.db2.gz LKLOUIVLCGYFKY-UHFFFAOYSA-N 2 1 345.487 1.979 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031856958 700007296 /nfs/dbraw/zinc/00/72/96/700007296.db2.gz NENDKPIOLDMIHN-IPCDKGFNSA-N 2 1 341.455 1.098 20 0 EDADMP Cc1nccc(NC2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001060629788 696479437 /nfs/dbraw/zinc/47/94/37/696479437.db2.gz HLDVFGLECAAMLN-TWRYWWQQSA-N 2 1 331.464 1.965 20 0 EDADMP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994001125 696500864 /nfs/dbraw/zinc/50/08/64/696500864.db2.gz BXVIBYQIPZFNMA-WMLDXEAASA-N 2 1 346.475 1.077 20 0 EDADMP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994001125 696500866 /nfs/dbraw/zinc/50/08/66/696500866.db2.gz BXVIBYQIPZFNMA-WMLDXEAASA-N 2 1 346.475 1.077 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCn3cccn3)[C@H]2C)CC1 ZINC000994081798 696516579 /nfs/dbraw/zinc/51/65/79/696516579.db2.gz PVOVFCILJDNRKF-ROUUACIJSA-N 2 1 347.507 1.584 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994132646 696530341 /nfs/dbraw/zinc/53/03/41/696530341.db2.gz KHVQETZIZHCKGX-DOTOQJQBSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1cncc(C[N@@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)c1 ZINC000994246110 696626148 /nfs/dbraw/zinc/62/61/48/696626148.db2.gz ASOMCPWDCISASW-WMZOPIPTSA-N 2 1 342.487 1.955 20 0 EDADMP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1ccccn1 ZINC000994261148 696674541 /nfs/dbraw/zinc/67/45/41/696674541.db2.gz YYCSXUWLWJQJDG-DOTOQJQBSA-N 2 1 328.460 1.647 20 0 EDADMP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1Cc1ccccn1 ZINC000994261148 696674542 /nfs/dbraw/zinc/67/45/42/696674542.db2.gz YYCSXUWLWJQJDG-DOTOQJQBSA-N 2 1 328.460 1.647 20 0 EDADMP CCn1nc(C)c(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000940008332 700109834 /nfs/dbraw/zinc/10/98/34/700109834.db2.gz JCZBYUTZPOHKCO-INIZCTEOSA-N 2 1 348.495 1.171 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000940008360 700109842 /nfs/dbraw/zinc/10/98/42/700109842.db2.gz KMNMYVAYDANFKF-AWEZNQCLSA-N 2 1 347.463 1.512 20 0 EDADMP CCc1nocc1CN1CCC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994406815 696830434 /nfs/dbraw/zinc/83/04/34/696830434.db2.gz KVRYWBOFNNWSEN-PBHICJAKSA-N 2 1 334.464 1.802 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12)C1CCCC1 ZINC000916971390 696866181 /nfs/dbraw/zinc/86/61/81/696866181.db2.gz DOKQOSGCHDHEBL-HOTGVXAUSA-N 2 1 340.537 1.740 20 0 EDADMP C[NH+](CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C1CCCC1 ZINC000916971390 696866183 /nfs/dbraw/zinc/86/61/83/696866183.db2.gz DOKQOSGCHDHEBL-HOTGVXAUSA-N 2 1 340.537 1.740 20 0 EDADMP C[NH+](CCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)C1CCCC1 ZINC000916971390 696866185 /nfs/dbraw/zinc/86/61/85/696866185.db2.gz DOKQOSGCHDHEBL-HOTGVXAUSA-N 2 1 340.537 1.740 20 0 EDADMP Cc1ccc(NCCN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)[nH+]c1 ZINC000925435201 696965415 /nfs/dbraw/zinc/96/54/15/696965415.db2.gz OOFDXDALELKSBE-AWEZNQCLSA-N 2 1 331.420 1.208 20 0 EDADMP C[C@H](CNC(=S)NCCC[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000917590895 697043268 /nfs/dbraw/zinc/04/32/68/697043268.db2.gz DWQTXRZWLZXWHV-MRXNPFEDSA-N 2 1 342.553 1.295 20 0 EDADMP CO[C@H](C[NH+]1CC(NC(=O)c2ccccc2C[NH+](C)C)C1)C1CCC1 ZINC001031437965 697108389 /nfs/dbraw/zinc/10/83/89/697108389.db2.gz OQVZBDFJNOQYGN-LJQANCHMSA-N 2 1 345.487 1.977 20 0 EDADMP C[C@@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)[NH+]1CCCCC1 ZINC000918121849 697133870 /nfs/dbraw/zinc/13/38/70/697133870.db2.gz OJPYGCKIPBRAOQ-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP C[NH+](C)CCC1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000918166332 697138591 /nfs/dbraw/zinc/13/85/91/697138591.db2.gz GUKBIQPIMUKTTP-UHFFFAOYSA-N 2 1 342.553 1.247 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NC2C[NH+](CC[C@@H]3CCOC3)C2)o1 ZINC001031467273 697148532 /nfs/dbraw/zinc/14/85/32/697148532.db2.gz BSVGKNYPNSINHE-OAHLLOKOSA-N 2 1 349.475 1.962 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031579188 697274940 /nfs/dbraw/zinc/27/49/40/697274940.db2.gz DBLUGFFOFYZHPZ-GOSISDBHSA-N 2 1 330.476 1.395 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCC(F)(F)CC2)C1 ZINC001031585525 697279630 /nfs/dbraw/zinc/27/96/30/697279630.db2.gz YPCOMBNBUIKDHY-OAHLLOKOSA-N 2 1 329.435 1.954 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001031584597 697280145 /nfs/dbraw/zinc/28/01/45/697280145.db2.gz GSVGJJIOMMTDGJ-OLZOCXBDSA-N 2 1 334.291 1.713 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)NC[C@@H]2CCCO2)CC1 ZINC000919718944 697322792 /nfs/dbraw/zinc/32/27/92/697322792.db2.gz KEFQNAYOJAFJFB-ZDUSSCGKSA-N 2 1 335.477 1.299 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)CC[N@H+]1C ZINC000920406061 697426904 /nfs/dbraw/zinc/42/69/04/697426904.db2.gz XFKOSZNVBWHLOT-TUVASFSCSA-N 2 1 326.510 1.348 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC[NH+]1C ZINC000920406061 697426907 /nfs/dbraw/zinc/42/69/07/697426907.db2.gz XFKOSZNVBWHLOT-TUVASFSCSA-N 2 1 326.510 1.348 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC[NH+]1C ZINC000920406061 697426908 /nfs/dbraw/zinc/42/69/08/697426908.db2.gz XFKOSZNVBWHLOT-TUVASFSCSA-N 2 1 326.510 1.348 20 0 EDADMP O=C(NCC1CN(Cc2ccc(F)cn2)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031668271 697459648 /nfs/dbraw/zinc/45/96/48/697459648.db2.gz BZTFLFRLZRQWKB-QAPCUYQASA-N 2 1 346.450 1.643 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668584 697461093 /nfs/dbraw/zinc/46/10/93/697461093.db2.gz KLHKFPXYDOPKEP-PKOBYXMFSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668584 697461094 /nfs/dbraw/zinc/46/10/94/697461094.db2.gz KLHKFPXYDOPKEP-PKOBYXMFSA-N 2 1 342.487 1.812 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001031674459 697483233 /nfs/dbraw/zinc/48/32/33/697483233.db2.gz JUPRETBBQXQWSN-MRXNPFEDSA-N 2 1 346.475 1.435 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC3CC(F)(F)C3)C2)CC[N@H+]1C ZINC001031686991 697517794 /nfs/dbraw/zinc/51/77/94/697517794.db2.gz XGDDYHUUKYGIOA-LSDHHAIUSA-N 2 1 329.435 1.810 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688879 697527479 /nfs/dbraw/zinc/52/74/79/697527479.db2.gz MYQFIUBRWUAWGA-MSOLQXFVSA-N 2 1 329.444 1.098 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C[N@H+]1C1CC1 ZINC000921384233 697582986 /nfs/dbraw/zinc/58/29/86/697582986.db2.gz LJKILOOXYBYJNS-KEYYUXOJSA-N 2 1 336.480 1.164 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C[NH+]1C1CC1 ZINC000921384233 697582988 /nfs/dbraw/zinc/58/29/88/697582988.db2.gz LJKILOOXYBYJNS-KEYYUXOJSA-N 2 1 336.480 1.164 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C[NH+]1C1CC1 ZINC000921384233 697582991 /nfs/dbraw/zinc/58/29/91/697582991.db2.gz LJKILOOXYBYJNS-KEYYUXOJSA-N 2 1 336.480 1.164 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2CN([C@H](C)c3cnccn3)C2)C1 ZINC001031729383 698052123 /nfs/dbraw/zinc/05/21/23/698052123.db2.gz MBMNWFDYJNVNRU-NVXWUHKLSA-N 2 1 345.491 1.564 20 0 EDADMP O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001031730214 698066916 /nfs/dbraw/zinc/06/69/16/698066916.db2.gz HEKAIZHGNOQUQG-YJBOKZPZSA-N 2 1 335.492 1.478 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729198 698083013 /nfs/dbraw/zinc/08/30/13/698083013.db2.gz HNUVPTCOVNRYKA-MRXNPFEDSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031729198 698083019 /nfs/dbraw/zinc/08/30/19/698083019.db2.gz HNUVPTCOVNRYKA-MRXNPFEDSA-N 2 1 334.464 1.509 20 0 EDADMP CC[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1)OC ZINC001031730676 698086519 /nfs/dbraw/zinc/08/65/19/698086519.db2.gz VATXOZAXYOXVSU-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP CO[C@H](C[NH+]1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1)C1CCC1 ZINC001031732187 698125020 /nfs/dbraw/zinc/12/50/20/698125020.db2.gz XCHNAFWSASPJFO-IAGOWNOFSA-N 2 1 346.475 1.624 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000995037599 700210410 /nfs/dbraw/zinc/21/04/10/700210410.db2.gz OEAKUNFSTZMTMT-JKSUJKDBSA-N 2 1 327.432 1.661 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2oc(C)nc2C)C1 ZINC000995037802 700214104 /nfs/dbraw/zinc/21/41/04/700214104.db2.gz ONCBOUPVTZYRDX-HOTGVXAUSA-N 2 1 345.447 1.871 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943513851 698427179 /nfs/dbraw/zinc/42/71/79/698427179.db2.gz ARRZVPYOAUTOGL-DOTOQJQBSA-N 2 1 335.496 1.541 20 0 EDADMP C[C@@H]1C[N@@H+](CCC2CC2)CC[C@@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943516045 698430034 /nfs/dbraw/zinc/43/00/34/698430034.db2.gz KEAHXBJJBPJXJT-QAPCUYQASA-N 2 1 347.507 1.685 20 0 EDADMP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000940111735 700226058 /nfs/dbraw/zinc/22/60/58/700226058.db2.gz NYOGQJVDIBIDKY-ZBFHGGJFSA-N 2 1 347.463 1.415 20 0 EDADMP Cc1nccnc1C[NH+]1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001032094323 698590379 /nfs/dbraw/zinc/59/03/79/698590379.db2.gz HEPBTJXSESFNKB-UHFFFAOYSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cccc([C@@H](C)[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001031765992 699060489 /nfs/dbraw/zinc/06/04/89/699060489.db2.gz YAUKLWZYNTWCFI-GPMSIDNRSA-N 2 1 345.487 1.823 20 0 EDADMP Cc1cccc([C@@H](C)[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001031765992 699060492 /nfs/dbraw/zinc/06/04/92/699060492.db2.gz YAUKLWZYNTWCFI-GPMSIDNRSA-N 2 1 345.487 1.823 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)oc1C ZINC000939053946 699114210 /nfs/dbraw/zinc/11/42/10/699114210.db2.gz BULZZFIVPUCZJU-BLLLJJGKSA-N 2 1 334.464 1.570 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cncn1C ZINC000939128757 699207618 /nfs/dbraw/zinc/20/76/18/699207618.db2.gz PBKBQNNSKYCDSQ-HOCLYGCPSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCc1ccnn1C ZINC000939136631 699223234 /nfs/dbraw/zinc/22/32/34/699223234.db2.gz ALVCDPCFGMKZNI-NVXWUHKLSA-N 2 1 347.507 1.131 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001031806598 699429866 /nfs/dbraw/zinc/42/98/66/699429866.db2.gz IDUVPZSSAIQKKA-FUHWJXTLSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1cccc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000939314305 699488161 /nfs/dbraw/zinc/48/81/61/699488161.db2.gz LPDHDOPDORIBKX-HKUYNNGSSA-N 2 1 345.487 1.654 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1[NH2+]Cc1cnon1 ZINC000939315944 699488783 /nfs/dbraw/zinc/48/87/83/699488783.db2.gz PADCVZIOZVDPOQ-CXAGYDPISA-N 2 1 343.431 1.382 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000939398894 699548135 /nfs/dbraw/zinc/54/81/35/699548135.db2.gz SPVZOPVNKAZYJT-YOEHRIQHSA-N 2 1 334.464 1.651 20 0 EDADMP CC[C@@H]1CC[N@@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000183374351 701601809 /nfs/dbraw/zinc/60/18/09/701601809.db2.gz PGZRRSNKDDDBCN-NXHRZFHOSA-N 2 1 341.455 1.793 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cccnc2C)[C@@H](C)C1 ZINC000939747770 699894356 /nfs/dbraw/zinc/89/43/56/699894356.db2.gz LIQUGYMXQJAKGI-GUYCJALGSA-N 2 1 327.432 1.532 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cnccc2C)C1 ZINC000939747843 699894495 /nfs/dbraw/zinc/89/44/95/699894495.db2.gz MOIUSHYSVUCICQ-WMLDXEAASA-N 2 1 327.432 1.532 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)n1 ZINC000939753881 699903494 /nfs/dbraw/zinc/90/34/94/699903494.db2.gz JCQIYEPLJUEDLE-SUMWQHHRSA-N 2 1 344.463 1.142 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)o1 ZINC000939753675 699903536 /nfs/dbraw/zinc/90/35/36/699903536.db2.gz HDUMOJVKUUZIPV-IAQYHMDHSA-N 2 1 331.420 1.433 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)o1 ZINC000939811478 699959553 /nfs/dbraw/zinc/95/95/53/699959553.db2.gz TWCLIPGASCGLHN-GOEBONIOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)co1 ZINC000939813381 699960806 /nfs/dbraw/zinc/96/08/06/699960806.db2.gz ZWMJNHWJRDCIDM-PBHICJAKSA-N 2 1 334.464 1.796 20 0 EDADMP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000940159748 700292512 /nfs/dbraw/zinc/29/25/12/700292512.db2.gz SBOUKCMJYQIEKW-INIZCTEOSA-N 2 1 347.507 1.765 20 0 EDADMP COc1cc(C[NH2+]C2(C)CCN(C(=O)Cn3c[nH+]cc3C)CC2)on1 ZINC000940214637 700355195 /nfs/dbraw/zinc/35/51/95/700355195.db2.gz SNZSJTGCQHDGJU-UHFFFAOYSA-N 2 1 347.419 1.359 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2c(C)noc2C)CC1 ZINC000940211588 700377409 /nfs/dbraw/zinc/37/74/09/700377409.db2.gz IMTGCRMLRNBGEY-UHFFFAOYSA-N 2 1 345.447 1.967 20 0 EDADMP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000940328153 700505802 /nfs/dbraw/zinc/50/58/02/700505802.db2.gz GJJLYHFAWLVVBZ-TZMCWYRMSA-N 2 1 335.452 1.046 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1 ZINC000940328075 700505877 /nfs/dbraw/zinc/50/58/77/700505877.db2.gz FGXKIERFVQBIBU-CABCVRRESA-N 2 1 333.480 1.089 20 0 EDADMP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000940328365 700506288 /nfs/dbraw/zinc/50/62/88/700506288.db2.gz HUHAISUTMRVIGJ-GOEBONIOSA-N 2 1 348.491 1.905 20 0 EDADMP Cc1conc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000940329672 700509622 /nfs/dbraw/zinc/50/96/22/700509622.db2.gz WJSKBFRYTKABIF-OAHLLOKOSA-N 2 1 334.464 1.938 20 0 EDADMP CC1([NH2+]Cc2ccccn2)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000940378167 700575638 /nfs/dbraw/zinc/57/56/38/700575638.db2.gz OXOMRISWHLQIKM-UHFFFAOYSA-N 2 1 346.475 1.275 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cnon3)C2)C1 ZINC000995102064 700898940 /nfs/dbraw/zinc/89/89/40/700898940.db2.gz GQXAXIVMGSZCSH-KGLIPLIRSA-N 2 1 335.452 1.176 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3conc3CC)C2)C1 ZINC001031917050 701013078 /nfs/dbraw/zinc/01/30/78/701013078.db2.gz MILNASMFSUTWOB-MRXNPFEDSA-N 2 1 348.491 1.907 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3conc3CC)C2)C1 ZINC001031917050 701013080 /nfs/dbraw/zinc/01/30/80/701013080.db2.gz MILNASMFSUTWOB-MRXNPFEDSA-N 2 1 348.491 1.907 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCF)CC2(C)C)C1 ZINC000940971818 701014211 /nfs/dbraw/zinc/01/42/11/701014211.db2.gz DBWHBWMFEPFFJQ-CVEARBPZSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCF)CC2(C)C)C1 ZINC000940971818 701014212 /nfs/dbraw/zinc/01/42/12/701014212.db2.gz DBWHBWMFEPFFJQ-CVEARBPZSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCCF)CC2(C)C)C1 ZINC000940971818 701014213 /nfs/dbraw/zinc/01/42/13/701014213.db2.gz DBWHBWMFEPFFJQ-CVEARBPZSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCF)CC2(C)C)C1 ZINC000940971818 701014214 /nfs/dbraw/zinc/01/42/14/701014214.db2.gz DBWHBWMFEPFFJQ-CVEARBPZSA-N 2 1 343.487 1.672 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCOC)CC2(C)C)C1 ZINC000940973841 701016054 /nfs/dbraw/zinc/01/60/54/701016054.db2.gz XSZWIJRVYSGJGS-IAGOWNOFSA-N 2 1 339.524 1.972 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCOC)CC2(C)C)C1 ZINC000940973841 701016055 /nfs/dbraw/zinc/01/60/55/701016055.db2.gz XSZWIJRVYSGJGS-IAGOWNOFSA-N 2 1 339.524 1.972 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCOC)CC2(C)C)C1 ZINC000940973841 701016056 /nfs/dbraw/zinc/01/60/56/701016056.db2.gz XSZWIJRVYSGJGS-IAGOWNOFSA-N 2 1 339.524 1.972 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](CC3CCOCC3)C2)C1 ZINC001031919194 701043955 /nfs/dbraw/zinc/04/39/55/701043955.db2.gz OIIXYUJDAHPGOQ-SFHVURJKSA-N 2 1 337.508 1.583 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cnn(C)c2)CC1(C)C ZINC000941032197 701073651 /nfs/dbraw/zinc/07/36/51/701073651.db2.gz GBRMZYKRVFOABR-NVXWUHKLSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccnn3C)CC2(C)C)C1 ZINC000941033986 701077640 /nfs/dbraw/zinc/07/76/40/701077640.db2.gz ZDVTXEWBSXZPTM-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)CC2(C)C)C1 ZINC000941033986 701077641 /nfs/dbraw/zinc/07/76/41/701077641.db2.gz ZDVTXEWBSXZPTM-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccnn3C)CC2(C)C)C1 ZINC000941033986 701077644 /nfs/dbraw/zinc/07/76/44/701077644.db2.gz ZDVTXEWBSXZPTM-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941080291 701142523 /nfs/dbraw/zinc/14/25/23/701142523.db2.gz WFMVLQIUNYXJKY-NVXWUHKLSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@H](c1ncccn1)N1CC[C@@H](NC(=O)CN2CCCC2)C(C)(C)C1 ZINC000941215654 701401796 /nfs/dbraw/zinc/40/17/96/701401796.db2.gz ZLGVKKHVIQFZGR-HZPDHXFCSA-N 2 1 345.491 1.850 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941408801 701521253 /nfs/dbraw/zinc/52/12/53/701521253.db2.gz UXGYCHHWWRFNRP-LJQANCHMSA-N 2 1 346.519 1.123 20 0 EDADMP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnc[nH]1)C1CCCC1 ZINC001032652119 706607217 /nfs/dbraw/zinc/60/72/17/706607217.db2.gz KVSLEYWSMTWKDM-YESZJQIVSA-N 2 1 332.448 1.443 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3csnn3)C[C@H]2CC1 ZINC000946518624 706605606 /nfs/dbraw/zinc/60/56/06/706605606.db2.gz ZYZVVCSIBZATEH-LZWOXQAQSA-N 2 1 349.504 1.303 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3csnn3)C[C@H]2CC1 ZINC000946518624 706605608 /nfs/dbraw/zinc/60/56/08/706605608.db2.gz ZYZVVCSIBZATEH-LZWOXQAQSA-N 2 1 349.504 1.303 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3csnn3)C[C@H]2CC1 ZINC000946518624 706605610 /nfs/dbraw/zinc/60/56/10/706605610.db2.gz ZYZVVCSIBZATEH-LZWOXQAQSA-N 2 1 349.504 1.303 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3csnn3)C[C@H]2CC1 ZINC000946518624 706605611 /nfs/dbraw/zinc/60/56/11/706605611.db2.gz ZYZVVCSIBZATEH-LZWOXQAQSA-N 2 1 349.504 1.303 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC3CCC(C)CC3)C2)C1 ZINC001032202740 701887227 /nfs/dbraw/zinc/88/72/27/701887227.db2.gz UQVNMHZBGMVPOW-LEOMRAHMSA-N 2 1 337.508 1.581 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC3CCC(C)CC3)C2)C1 ZINC001032202740 701887233 /nfs/dbraw/zinc/88/72/33/701887233.db2.gz UQVNMHZBGMVPOW-LEOMRAHMSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1C[NH+](CC[C@@H]3CCOC3)C1)C2 ZINC001031978050 701985648 /nfs/dbraw/zinc/98/56/48/701985648.db2.gz MZPMCIJLLROARQ-WBVHZDCISA-N 2 1 346.475 1.229 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2N(C)C)C1 ZINC001031977820 702038272 /nfs/dbraw/zinc/03/82/72/702038272.db2.gz JCUJPCDKMPSDLZ-YJBOKZPZSA-N 2 1 344.503 1.498 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995799514 702041573 /nfs/dbraw/zinc/04/15/73/702041573.db2.gz SSBAQFLWDFPXOL-DLBZAZTESA-N 2 1 347.507 1.583 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995827810 702101506 /nfs/dbraw/zinc/10/15/06/702101506.db2.gz WPAJSOWECZIAHS-OIISXLGYSA-N 2 1 347.507 1.395 20 0 EDADMP COc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)c1 ZINC001031978758 702105831 /nfs/dbraw/zinc/10/58/31/702105831.db2.gz WNJNECVTVVSPEV-KDOFPFPSSA-N 2 1 331.460 1.441 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cn(C)nc2C)C1 ZINC001032206152 702132148 /nfs/dbraw/zinc/13/21/48/702132148.db2.gz SRZJSPSEJJMTGX-QGZVFWFLSA-N 2 1 333.480 1.151 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cn(C)nc2C)C1 ZINC001032206152 702132144 /nfs/dbraw/zinc/13/21/44/702132144.db2.gz SRZJSPSEJJMTGX-QGZVFWFLSA-N 2 1 333.480 1.151 20 0 EDADMP COCc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032182121 702183812 /nfs/dbraw/zinc/18/38/12/702183812.db2.gz FKGXOCNGOAPCAZ-SFHVURJKSA-N 2 1 331.460 1.333 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@H]([NH2+]CC[C@H]2CCOC2)C(C)(C)C1)C1CCC1 ZINC000995917596 702235694 /nfs/dbraw/zinc/23/56/94/702235694.db2.gz LJBCLSUUNPBFLC-RDJZCZTQSA-N 2 1 337.508 1.724 20 0 EDADMP Cn1cncc1C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995920069 702240439 /nfs/dbraw/zinc/24/04/39/702240439.db2.gz SEFUOYNINAJPNC-INIZCTEOSA-N 2 1 333.480 1.231 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cncs3)C2)CC[N@H+]1C ZINC000999208488 706661734 /nfs/dbraw/zinc/66/17/34/706661734.db2.gz NOSVEJSPRANBSA-CWRNSKLLSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)s1 ZINC000944169071 702410104 /nfs/dbraw/zinc/41/01/04/702410104.db2.gz LOLVOERPDWOADV-ZFWWWQNUSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)s1 ZINC000944169071 702410107 /nfs/dbraw/zinc/41/01/07/702410107.db2.gz LOLVOERPDWOADV-ZFWWWQNUSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1ncccc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944151606 702434981 /nfs/dbraw/zinc/43/49/81/702434981.db2.gz AWXLUGRDFRBVBP-MAUKXSAKSA-N 2 1 342.487 1.812 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944151581 702435075 /nfs/dbraw/zinc/43/50/75/702435075.db2.gz AOUBLJXDZMGPGE-PBHICJAKSA-N 2 1 346.450 1.643 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944151581 702435078 /nfs/dbraw/zinc/43/50/78/702435078.db2.gz AOUBLJXDZMGPGE-PBHICJAKSA-N 2 1 346.450 1.643 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CC[C@H]2CCCCO2)C(C)(C)C1 ZINC000996043657 702461842 /nfs/dbraw/zinc/46/18/42/702461842.db2.gz POZXVDFMBJZETN-SJORKVTESA-N 2 1 348.491 1.977 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300260 702691835 /nfs/dbraw/zinc/69/18/35/702691835.db2.gz KZFURTCQFQLTFD-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300260 702691836 /nfs/dbraw/zinc/69/18/36/702691836.db2.gz KZFURTCQFQLTFD-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cncc(F)c3)C(C)(C)C2)C1 ZINC000996301600 702693859 /nfs/dbraw/zinc/69/38/59/702693859.db2.gz VBZVIHKKEPKMTJ-WMLDXEAASA-N 2 1 348.466 1.889 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996302752 702694682 /nfs/dbraw/zinc/69/46/82/702694682.db2.gz YVVKXQJEDPZONW-RDJZCZTQSA-N 2 1 330.476 1.750 20 0 EDADMP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC000995218342 702750668 /nfs/dbraw/zinc/75/06/68/702750668.db2.gz XMRPOINKNZTUTD-HZPDHXFCSA-N 2 1 345.447 1.871 20 0 EDADMP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000996606360 702909724 /nfs/dbraw/zinc/90/97/24/702909724.db2.gz GLBDVQNTZLARRW-GDBMZVCRSA-N 2 1 333.480 1.324 20 0 EDADMP CC(C)n1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996603628 702913183 /nfs/dbraw/zinc/91/31/83/702913183.db2.gz RQSNNKDFCZFOPG-CRAIPNDOSA-N 2 1 347.507 1.885 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]C[C@@H]3CCCCO3)CC2)CC[N@H+]1C ZINC000996604021 702913576 /nfs/dbraw/zinc/91/35/76/702913576.db2.gz QICIHDZRCNWOMF-OKZBNKHCSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)s1 ZINC000996614322 702919870 /nfs/dbraw/zinc/91/98/70/702919870.db2.gz MRTWBGQSOUDBFN-STQMWFEESA-N 2 1 337.493 1.125 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)s1 ZINC000996614322 702919872 /nfs/dbraw/zinc/91/98/72/702919872.db2.gz MRTWBGQSOUDBFN-STQMWFEESA-N 2 1 337.493 1.125 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)oc1C ZINC000996616854 702923937 /nfs/dbraw/zinc/92/39/37/702923937.db2.gz UNZCNUNUPFCHMU-LSDHHAIUSA-N 2 1 334.464 1.570 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)oc1C ZINC000996616854 702923939 /nfs/dbraw/zinc/92/39/39/702923939.db2.gz UNZCNUNUPFCHMU-LSDHHAIUSA-N 2 1 334.464 1.570 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)o2)CC1 ZINC000996643624 702946225 /nfs/dbraw/zinc/94/62/25/702946225.db2.gz CTUATVFSOQPXAF-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996647459 702949177 /nfs/dbraw/zinc/94/91/77/702949177.db2.gz YAKCFOMXFSCXFG-HNNXBMFYSA-N 2 1 337.493 1.493 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996647459 702949178 /nfs/dbraw/zinc/94/91/78/702949178.db2.gz YAKCFOMXFSCXFG-HNNXBMFYSA-N 2 1 337.493 1.493 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC000996669640 702971413 /nfs/dbraw/zinc/97/14/13/702971413.db2.gz RIMDIFFCENWQEV-INIZCTEOSA-N 2 1 348.495 1.159 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000996671127 702972207 /nfs/dbraw/zinc/97/22/07/702972207.db2.gz MFVYELDZLKUQEM-CVEARBPZSA-N 2 1 334.464 1.876 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000996671127 702972208 /nfs/dbraw/zinc/97/22/08/702972208.db2.gz MFVYELDZLKUQEM-CVEARBPZSA-N 2 1 334.464 1.876 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000996676351 702975289 /nfs/dbraw/zinc/97/52/89/702975289.db2.gz HEILKQQFNPWPSS-IRXDYDNUSA-N 2 1 346.475 1.910 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]Cc2nccs2)CC1 ZINC000996677447 702976483 /nfs/dbraw/zinc/97/64/83/702976483.db2.gz JRIPHGIOLOCULD-AWEZNQCLSA-N 2 1 345.472 1.998 20 0 EDADMP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000996679192 702978241 /nfs/dbraw/zinc/97/82/41/702978241.db2.gz QNEHKHKLBIFWER-INIZCTEOSA-N 2 1 343.431 1.838 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996690110 702987417 /nfs/dbraw/zinc/98/74/17/702987417.db2.gz OXCWXXLNRFYBKE-SFHVURJKSA-N 2 1 347.507 1.684 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996692342 702989925 /nfs/dbraw/zinc/98/99/25/702989925.db2.gz XRBCYANYLIGFEL-HNNXBMFYSA-N 2 1 349.479 1.587 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000996692342 702989928 /nfs/dbraw/zinc/98/99/28/702989928.db2.gz XRBCYANYLIGFEL-HNNXBMFYSA-N 2 1 349.479 1.587 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnccc2C)C[C@@H]1C ZINC000942517591 703010977 /nfs/dbraw/zinc/01/09/77/703010977.db2.gz BZFKPQQBCOXFFF-MAUKXSAKSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnccc2C)C[C@@H]1C ZINC000942517591 703010980 /nfs/dbraw/zinc/01/09/80/703010980.db2.gz BZFKPQQBCOXFFF-MAUKXSAKSA-N 2 1 341.459 1.922 20 0 EDADMP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684036 706714752 /nfs/dbraw/zinc/71/47/52/706714752.db2.gz BHQQLGQCDBNVGW-WDSOQIARSA-N 2 1 343.471 1.755 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684036 706714754 /nfs/dbraw/zinc/71/47/54/706714754.db2.gz BHQQLGQCDBNVGW-WDSOQIARSA-N 2 1 343.471 1.755 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000996731107 703028201 /nfs/dbraw/zinc/02/82/01/703028201.db2.gz UVLRNJPJTXMARQ-KRWDZBQOSA-N 2 1 334.439 1.786 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996748902 703035275 /nfs/dbraw/zinc/03/52/75/703035275.db2.gz NHSLRQNVSGTBQW-SFHVURJKSA-N 2 1 347.507 1.584 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CCC([NH+]3CCN(CC4CC4)CC3)CC2)C1 ZINC000996802949 703093243 /nfs/dbraw/zinc/09/32/43/703093243.db2.gz OPISMGCPOYAALK-LMDPOFIKSA-N 2 1 348.535 1.393 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NC2CCC(N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC000996802949 703093246 /nfs/dbraw/zinc/09/32/46/703093246.db2.gz OPISMGCPOYAALK-LMDPOFIKSA-N 2 1 348.535 1.393 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CCC(N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC000996802949 703093249 /nfs/dbraw/zinc/09/32/49/703093249.db2.gz OPISMGCPOYAALK-LMDPOFIKSA-N 2 1 348.535 1.393 20 0 EDADMP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)n1 ZINC000996803297 703093770 /nfs/dbraw/zinc/09/37/70/703093770.db2.gz UOWSLMNRGAFCCU-UHFFFAOYSA-N 2 1 344.463 1.286 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]Cc3nccs3)CC2)CC[N@H+]1C ZINC000996923492 703194372 /nfs/dbraw/zinc/19/43/72/703194372.db2.gz SREIHFBYBNPWLV-KBPBESRZSA-N 2 1 336.505 1.954 20 0 EDADMP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032042740 703205987 /nfs/dbraw/zinc/20/59/87/703205987.db2.gz IPIGMONLRVSZKA-DOTOQJQBSA-N 2 1 348.516 1.751 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)[nH]1 ZINC000996996940 703260413 /nfs/dbraw/zinc/26/04/13/703260413.db2.gz CJNJFLMUUPZXAD-CHWSQXEVSA-N 2 1 334.468 1.239 20 0 EDADMP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997008976 703262321 /nfs/dbraw/zinc/26/23/21/703262321.db2.gz NQOAGZJOBYPXHL-GDBMZVCRSA-N 2 1 333.480 1.181 20 0 EDADMP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000997005507 703262861 /nfs/dbraw/zinc/26/28/61/703262861.db2.gz DSXNARXWUBFCCO-YOEHRIQHSA-N 2 1 333.480 1.181 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)o1 ZINC000997008688 703266822 /nfs/dbraw/zinc/26/68/22/703266822.db2.gz WEUSVUHBIGKXEE-UHFFFAOYSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)o1 ZINC000997008688 703266824 /nfs/dbraw/zinc/26/68/24/703266824.db2.gz WEUSVUHBIGKXEE-UHFFFAOYSA-N 2 1 349.479 1.445 20 0 EDADMP CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000997125882 703384591 /nfs/dbraw/zinc/38/45/91/703384591.db2.gz SDLDONUFBNPCBM-CRAIPNDOSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCCc2[nH+]ccn21)C1CC[NH+](CCCO)CC1 ZINC000997132484 703389434 /nfs/dbraw/zinc/38/94/34/703389434.db2.gz NDJUZZUPFYWKID-GDBMZVCRSA-N 2 1 334.464 1.360 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000997141346 703402970 /nfs/dbraw/zinc/40/29/70/703402970.db2.gz XFWIYIOSTOMVNE-UHFFFAOYSA-N 2 1 349.479 1.579 20 0 EDADMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1 ZINC001032408358 703434575 /nfs/dbraw/zinc/43/45/75/703434575.db2.gz YXZOZGOWGVAALK-ZOBUZTSGSA-N 2 1 346.500 1.313 20 0 EDADMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1 ZINC001032408358 703434576 /nfs/dbraw/zinc/43/45/76/703434576.db2.gz YXZOZGOWGVAALK-ZOBUZTSGSA-N 2 1 346.500 1.313 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997300508 703544112 /nfs/dbraw/zinc/54/41/12/703544112.db2.gz WJWVXWWKXCICKS-CHWSQXEVSA-N 2 1 335.452 1.225 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cc(C4CC4)no3)CC2)C1 ZINC000997298334 703556243 /nfs/dbraw/zinc/55/62/43/703556243.db2.gz IMDMMHTWBGCIGU-CQSZACIVSA-N 2 1 332.448 1.584 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3F)CC2)C1 ZINC000997338030 703572771 /nfs/dbraw/zinc/57/27/71/703572771.db2.gz YECCWZSZLUOEBZ-SFHVURJKSA-N 2 1 349.450 1.627 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3F)CC2)C1 ZINC000997338030 703572772 /nfs/dbraw/zinc/57/27/72/703572772.db2.gz YECCWZSZLUOEBZ-SFHVURJKSA-N 2 1 349.450 1.627 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)o2)CC1 ZINC000997367143 703601543 /nfs/dbraw/zinc/60/15/43/703601543.db2.gz VPNBSQXWJLWTGD-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cn(C)nc2C)CC1 ZINC000997368209 703604925 /nfs/dbraw/zinc/60/49/25/703604925.db2.gz RIBAIMAVVSXKJG-GOSISDBHSA-N 2 1 347.507 1.684 20 0 EDADMP Cn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCC[NH+]2C)cn1 ZINC001032454177 703640736 /nfs/dbraw/zinc/64/07/36/703640736.db2.gz HCGBGXHRXREOMG-BZSNNMDCSA-N 2 1 345.491 1.122 20 0 EDADMP Cn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCC[NH+]2C)cn1 ZINC001032454177 703640737 /nfs/dbraw/zinc/64/07/37/703640737.db2.gz HCGBGXHRXREOMG-BZSNNMDCSA-N 2 1 345.491 1.122 20 0 EDADMP Cn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCC[N@@H+]2C)cn1 ZINC001032454177 703640738 /nfs/dbraw/zinc/64/07/38/703640738.db2.gz HCGBGXHRXREOMG-BZSNNMDCSA-N 2 1 345.491 1.122 20 0 EDADMP Cn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCC[N@H+]2C)cn1 ZINC001032454177 703640739 /nfs/dbraw/zinc/64/07/39/703640739.db2.gz HCGBGXHRXREOMG-BZSNNMDCSA-N 2 1 345.491 1.122 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000997422739 703671168 /nfs/dbraw/zinc/67/11/68/703671168.db2.gz YTGLYVUZJHJTBN-NVXWUHKLSA-N 2 1 333.480 1.052 20 0 EDADMP C[C@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032474981 703694985 /nfs/dbraw/zinc/69/49/85/703694985.db2.gz CXEFVXFRDDPSDX-JYJNAYRXSA-N 2 1 341.471 1.378 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1N(C)C)[NH+](C)C ZINC001032474780 703695579 /nfs/dbraw/zinc/69/55/79/703695579.db2.gz MFZPTDIZDUMVLI-OKZBNKHCSA-N 2 1 344.503 1.878 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1N(C)C)[NH+](C)C ZINC001032474780 703695580 /nfs/dbraw/zinc/69/55/80/703695580.db2.gz MFZPTDIZDUMVLI-OKZBNKHCSA-N 2 1 344.503 1.878 20 0 EDADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000921623411 703745504 /nfs/dbraw/zinc/74/55/04/703745504.db2.gz LBUXDEZFSDINLT-UHFFFAOYSA-N 2 1 330.432 1.644 20 0 EDADMP CCn1ccnc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997508433 703756726 /nfs/dbraw/zinc/75/67/26/703756726.db2.gz JSGDYFWALCKVJJ-DOTOQJQBSA-N 2 1 347.507 1.714 20 0 EDADMP CCn1ccnc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997508433 703756729 /nfs/dbraw/zinc/75/67/29/703756729.db2.gz JSGDYFWALCKVJJ-DOTOQJQBSA-N 2 1 347.507 1.714 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997513980 703762287 /nfs/dbraw/zinc/76/22/87/703762287.db2.gz APJOARUSVVSLMQ-GOEBONIOSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000997513980 703762289 /nfs/dbraw/zinc/76/22/89/703762289.db2.gz APJOARUSVVSLMQ-GOEBONIOSA-N 2 1 334.464 1.794 20 0 EDADMP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCCOC1 ZINC001032500487 703815840 /nfs/dbraw/zinc/81/58/40/703815840.db2.gz XQGIJGSAEKQKTI-JLSDUUJJSA-N 2 1 340.427 1.660 20 0 EDADMP COCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000997619139 703917603 /nfs/dbraw/zinc/91/76/03/703917603.db2.gz XVIAQWFRUVVJLD-HOCLYGCPSA-N 2 1 334.464 1.624 20 0 EDADMP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995552383 703959647 /nfs/dbraw/zinc/95/96/47/703959647.db2.gz QPNFEUVPQSUCNZ-JKSUJKDBSA-N 2 1 333.480 1.324 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ncccn3)C2)CC[N@@H+]1C ZINC000999292699 706789076 /nfs/dbraw/zinc/78/90/76/706789076.db2.gz FHPORULDEQASMW-FXQLRMTLSA-N 2 1 331.464 1.286 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ncccn3)C2)CC[N@H+]1C ZINC000999292699 706789080 /nfs/dbraw/zinc/78/90/80/706789080.db2.gz FHPORULDEQASMW-FXQLRMTLSA-N 2 1 331.464 1.286 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001033082300 704139068 /nfs/dbraw/zinc/13/90/68/704139068.db2.gz QAFRQFKNADGLOF-ZWKOTPCHSA-N 2 1 343.475 1.160 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001033082300 704139070 /nfs/dbraw/zinc/13/90/70/704139070.db2.gz QAFRQFKNADGLOF-ZWKOTPCHSA-N 2 1 343.475 1.160 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000999303711 706797356 /nfs/dbraw/zinc/79/73/56/706797356.db2.gz ITWIYVAJJMLRRU-CABCVRRESA-N 2 1 334.468 1.068 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000999303711 706797358 /nfs/dbraw/zinc/79/73/58/706797358.db2.gz ITWIYVAJJMLRRU-CABCVRRESA-N 2 1 334.468 1.068 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CCCCO2)CC1 ZINC001032710980 706801621 /nfs/dbraw/zinc/80/16/21/706801621.db2.gz AXEBYWJIWRWPOX-GBESFXJTSA-N 2 1 349.519 1.961 20 0 EDADMP O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[C@H]2C[NH+](CC3CC3)C[C@H]2CC1 ZINC000946598087 704311491 /nfs/dbraw/zinc/31/14/91/704311491.db2.gz XOMQZCCGVFSJJC-ZSYWTGECSA-N 2 1 347.503 1.430 20 0 EDADMP O=C([C@H]1C[NH+]2CCC[C@H]2CO1)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC000946598087 704311494 /nfs/dbraw/zinc/31/14/94/704311494.db2.gz XOMQZCCGVFSJJC-ZSYWTGECSA-N 2 1 347.503 1.430 20 0 EDADMP O=C([C@H]1C[NH+]2CCC[C@H]2CO1)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC000946598087 704311495 /nfs/dbraw/zinc/31/14/95/704311495.db2.gz XOMQZCCGVFSJJC-ZSYWTGECSA-N 2 1 347.503 1.430 20 0 EDADMP CCO[C@H](C[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(CC)c1)C[NH+](C)C ZINC000922755310 704315300 /nfs/dbraw/zinc/31/53/00/704315300.db2.gz BCGRWWRJEZOVQP-CGTJXYLNSA-N 2 1 338.496 1.927 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC000999309739 706812261 /nfs/dbraw/zinc/81/22/61/706812261.db2.gz VTSPGTHWXNIPQN-MSOLQXFVSA-N 2 1 345.491 1.740 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CC3CC(C)(C)C3)C(C)(C)C2)C1 ZINC000995606460 704569977 /nfs/dbraw/zinc/56/99/77/704569977.db2.gz PGLBKTKAVRBMJH-CVEARBPZSA-N 2 1 337.508 1.580 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CC3CC(C)(C)C3)C(C)(C)C2)C1 ZINC000995606460 704569978 /nfs/dbraw/zinc/56/99/78/704569978.db2.gz PGLBKTKAVRBMJH-CVEARBPZSA-N 2 1 337.508 1.580 20 0 EDADMP COCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997734372 704627041 /nfs/dbraw/zinc/62/70/41/704627041.db2.gz IEFCISHFUMCFPP-YOEHRIQHSA-N 2 1 348.491 1.617 20 0 EDADMP CCc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000997785856 704689905 /nfs/dbraw/zinc/68/99/05/704689905.db2.gz MQOUFLBAVRDBTD-RHSMWYFYSA-N 2 1 348.491 1.905 20 0 EDADMP Cn1nncc1C[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000997839147 704754644 /nfs/dbraw/zinc/75/46/44/704754644.db2.gz HITIJVKNLNHXKJ-INIZCTEOSA-N 2 1 348.495 1.018 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997859268 704768279 /nfs/dbraw/zinc/76/82/79/704768279.db2.gz KNZRDTJDIFMVPE-DLBZAZTESA-N 2 1 347.463 1.415 20 0 EDADMP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997864432 704771069 /nfs/dbraw/zinc/77/10/69/704771069.db2.gz HXOOOWOCCCMOKK-KRWDZBQOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000997864404 704771115 /nfs/dbraw/zinc/77/11/15/704771115.db2.gz GYEROHLXNNDJKO-XJKSGUPXSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC000997864404 704771116 /nfs/dbraw/zinc/77/11/16/704771116.db2.gz GYEROHLXNNDJKO-XJKSGUPXSA-N 2 1 349.479 1.752 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@@H]1CCCCO1 ZINC001032573934 704962430 /nfs/dbraw/zinc/96/24/30/704962430.db2.gz XHNATPRMLKVWAG-XSLAGTTESA-N 2 1 335.492 1.715 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCCCO1 ZINC001032573934 704962434 /nfs/dbraw/zinc/96/24/34/704962434.db2.gz XHNATPRMLKVWAG-XSLAGTTESA-N 2 1 335.492 1.715 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000997950263 705076426 /nfs/dbraw/zinc/07/64/26/705076426.db2.gz RDQVUXBEGRMARC-ZWKOTPCHSA-N 2 1 347.507 1.680 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000997950263 705076433 /nfs/dbraw/zinc/07/64/33/705076433.db2.gz RDQVUXBEGRMARC-ZWKOTPCHSA-N 2 1 347.507 1.680 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000997950263 705076439 /nfs/dbraw/zinc/07/64/39/705076439.db2.gz RDQVUXBEGRMARC-ZWKOTPCHSA-N 2 1 347.507 1.680 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC000997951134 705077708 /nfs/dbraw/zinc/07/77/08/705077708.db2.gz VOBRTZRTZSYJDB-FUHWJXTLSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2ccnn2C)CC1 ZINC000997951134 705077713 /nfs/dbraw/zinc/07/77/13/705077713.db2.gz VOBRTZRTZSYJDB-FUHWJXTLSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2ccnn2C)CC1 ZINC000997951134 705077719 /nfs/dbraw/zinc/07/77/19/705077719.db2.gz VOBRTZRTZSYJDB-FUHWJXTLSA-N 2 1 347.507 1.717 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)ncn1 ZINC000998080828 705305844 /nfs/dbraw/zinc/30/58/44/705305844.db2.gz DJIISTYUJFNZCM-OAHLLOKOSA-N 2 1 345.491 1.455 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000998122599 705375798 /nfs/dbraw/zinc/37/57/98/705375798.db2.gz APUCCBUHADPUTC-KRWDZBQOSA-N 2 1 348.491 1.871 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCC[C@H]3CCOC3)C2)CC1 ZINC001015898513 705419894 /nfs/dbraw/zinc/41/98/94/705419894.db2.gz FRIBHMCITLRVJV-ROUUACIJSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000998216609 705538966 /nfs/dbraw/zinc/53/89/66/705538966.db2.gz IIOHNDRAKUSMLF-KRWDZBQOSA-N 2 1 345.491 1.455 20 0 EDADMP Cn1ccc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998217714 705540338 /nfs/dbraw/zinc/54/03/38/705540338.db2.gz RWIGPUPLAGFOPW-INIZCTEOSA-N 2 1 333.480 1.090 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC000998266768 705635984 /nfs/dbraw/zinc/63/59/84/705635984.db2.gz QRLRUXSCIYBASA-SJORKVTESA-N 2 1 337.508 1.581 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)s1 ZINC000998270722 705649009 /nfs/dbraw/zinc/64/90/09/705649009.db2.gz YPHKSVNAUWVZTO-UHFFFAOYSA-N 2 1 347.488 1.985 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000998273503 705653826 /nfs/dbraw/zinc/65/38/26/705653826.db2.gz QWBKAKDYOQZKFU-HNNXBMFYSA-N 2 1 334.439 1.501 20 0 EDADMP CCO[C@H](CNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)C[NH+](C)C ZINC000921661382 705889142 /nfs/dbraw/zinc/88/91/42/705889142.db2.gz HIRNXDQEAJTRRK-NVXWUHKLSA-N 2 1 334.464 1.439 20 0 EDADMP CCO[C@H](CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)C[NH+](C)C ZINC000921661382 705889145 /nfs/dbraw/zinc/88/91/45/705889145.db2.gz HIRNXDQEAJTRRK-NVXWUHKLSA-N 2 1 334.464 1.439 20 0 EDADMP CN(C)c1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000998547934 705982870 /nfs/dbraw/zinc/98/28/70/705982870.db2.gz CMKDRUYZMFWNIC-KVZIAJEVSA-N 2 1 344.503 1.926 20 0 EDADMP Cc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998582130 706015871 /nfs/dbraw/zinc/01/58/71/706015871.db2.gz CRCCNMPDOMYMMF-ABHNRTSZSA-N 2 1 331.460 1.405 20 0 EDADMP Cc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998582130 706015874 /nfs/dbraw/zinc/01/58/74/706015874.db2.gz CRCCNMPDOMYMMF-ABHNRTSZSA-N 2 1 331.460 1.405 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2csc(Cl)n2)C1 ZINC000998730215 706162281 /nfs/dbraw/zinc/16/22/81/706162281.db2.gz JLPGTDSREUMKJA-DGCLKSJQSA-N 2 1 342.896 1.971 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2csc(Cl)n2)C1 ZINC000998730215 706162284 /nfs/dbraw/zinc/16/22/84/706162284.db2.gz JLPGTDSREUMKJA-DGCLKSJQSA-N 2 1 342.896 1.971 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000998762788 706201192 /nfs/dbraw/zinc/20/11/92/706201192.db2.gz GXADANGNQHMCGW-NRXISQOPSA-N 2 1 349.479 1.584 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000998762788 706201194 /nfs/dbraw/zinc/20/11/94/706201194.db2.gz GXADANGNQHMCGW-NRXISQOPSA-N 2 1 349.479 1.584 20 0 EDADMP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998762768 706201225 /nfs/dbraw/zinc/20/12/25/706201225.db2.gz GVNDMPLAXGQDMP-OFLPRAFFSA-N 2 1 334.464 1.935 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)no1 ZINC000998764717 706203878 /nfs/dbraw/zinc/20/38/78/706203878.db2.gz UGWCZFNYTXNZBC-BDVYOWHSSA-N 2 1 334.464 1.935 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)no1 ZINC000998764717 706203880 /nfs/dbraw/zinc/20/38/80/706203880.db2.gz UGWCZFNYTXNZBC-BDVYOWHSSA-N 2 1 334.464 1.935 20 0 EDADMP Cc1cccc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998813127 706256196 /nfs/dbraw/zinc/25/61/96/706256196.db2.gz USYSFQGCAHUALR-PKOBYXMFSA-N 2 1 345.487 1.715 20 0 EDADMP Cc1cccc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998813127 706256199 /nfs/dbraw/zinc/25/61/99/706256199.db2.gz USYSFQGCAHUALR-PKOBYXMFSA-N 2 1 345.487 1.715 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCc3ccccc3F)C2)C1 ZINC000998821292 706268063 /nfs/dbraw/zinc/26/80/63/706268063.db2.gz CXYFQECBIVQCQI-AEFFLSMTSA-N 2 1 349.450 1.279 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCc3ccccc3F)C2)C1 ZINC000998821292 706268065 /nfs/dbraw/zinc/26/80/65/706268065.db2.gz CXYFQECBIVQCQI-AEFFLSMTSA-N 2 1 349.450 1.279 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC000998980011 706410933 /nfs/dbraw/zinc/41/09/33/706410933.db2.gz JYCAJJHIFNHRTG-UHFFFAOYSA-N 2 1 346.475 1.938 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000999047192 706488302 /nfs/dbraw/zinc/48/83/02/706488302.db2.gz AWQRODVOVFRYSS-UHFFFAOYSA-N 2 1 347.463 1.339 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000999372738 706867101 /nfs/dbraw/zinc/86/71/01/706867101.db2.gz PBQQBDHDNZJFFN-ZFWWWQNUSA-N 2 1 345.472 1.998 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)on1 ZINC000999373085 706867454 /nfs/dbraw/zinc/86/74/54/706867454.db2.gz DFIWMWCAZGXKCV-CYBMUJFWSA-N 2 1 336.436 1.248 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ncccn1 ZINC000999373199 706867980 /nfs/dbraw/zinc/86/79/80/706867980.db2.gz GRZZFGSGDTWNBU-LSDHHAIUSA-N 2 1 331.464 1.603 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ncccn1 ZINC000999373199 706867983 /nfs/dbraw/zinc/86/79/83/706867983.db2.gz GRZZFGSGDTWNBU-LSDHHAIUSA-N 2 1 331.464 1.603 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)oc1C ZINC000999372101 706886670 /nfs/dbraw/zinc/88/66/70/706886670.db2.gz OEIQOSBBBAAXNJ-DOTOQJQBSA-N 2 1 334.464 1.712 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999400204 706895245 /nfs/dbraw/zinc/89/52/45/706895245.db2.gz JQXPOYCSEBJRLQ-JKSUJKDBSA-N 2 1 331.464 1.432 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999400204 706895247 /nfs/dbraw/zinc/89/52/47/706895247.db2.gz JQXPOYCSEBJRLQ-JKSUJKDBSA-N 2 1 331.464 1.432 20 0 EDADMP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999404354 706912930 /nfs/dbraw/zinc/91/29/30/706912930.db2.gz ZQGLAUCQIQMDEY-IAGOWNOFSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999407417 706916937 /nfs/dbraw/zinc/91/69/37/706916937.db2.gz UTAJNIMCELATTF-RWBZWWBESA-N 2 1 330.476 1.953 20 0 EDADMP COc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC000999513306 707011994 /nfs/dbraw/zinc/01/19/94/707011994.db2.gz RYTYFMBDVVGJGD-MAUKXSAKSA-N 2 1 346.475 1.655 20 0 EDADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H](NCc2cnon2)C1 ZINC000999561909 707058808 /nfs/dbraw/zinc/05/88/08/707058808.db2.gz OYCGDBGOALSOOA-CQSZACIVSA-N 2 1 349.479 1.803 20 0 EDADMP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999561909 707058812 /nfs/dbraw/zinc/05/88/12/707058812.db2.gz OYCGDBGOALSOOA-CQSZACIVSA-N 2 1 349.479 1.803 20 0 EDADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999561909 707058817 /nfs/dbraw/zinc/05/88/17/707058817.db2.gz OYCGDBGOALSOOA-CQSZACIVSA-N 2 1 349.479 1.803 20 0 EDADMP Cc1nonc1CN[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999571863 707077471 /nfs/dbraw/zinc/07/74/71/707077471.db2.gz AYGIKJMGBJMPPT-DOTOQJQBSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999571863 707077474 /nfs/dbraw/zinc/07/74/74/707077474.db2.gz AYGIKJMGBJMPPT-DOTOQJQBSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999571863 707077476 /nfs/dbraw/zinc/07/74/76/707077476.db2.gz AYGIKJMGBJMPPT-DOTOQJQBSA-N 2 1 349.479 1.579 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)c1nncn1C ZINC000999599234 707102022 /nfs/dbraw/zinc/10/20/22/707102022.db2.gz XQRZLLCEOBEIQS-LSDHHAIUSA-N 2 1 346.479 1.085 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038555377 707180329 /nfs/dbraw/zinc/18/03/29/707180329.db2.gz LWDHXMGJEVHRCV-DOTOQJQBSA-N 2 1 333.476 1.630 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)OC)C[C@H]2CC1)[NH+](C)C ZINC000946784373 707309130 /nfs/dbraw/zinc/30/91/30/707309130.db2.gz HXUIBGVTVTUGOF-NCOADZHNSA-N 2 1 325.497 1.532 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999792568 707363378 /nfs/dbraw/zinc/36/33/78/707363378.db2.gz NNLHNNSAATVGIZ-AEFFLSMTSA-N 2 1 346.475 1.938 20 0 EDADMP C[C@@H](NCc1cn(C)nn1)[C@@H]1CCCCN1C(=O)CCc1ncc[nH]1 ZINC001004847358 707443644 /nfs/dbraw/zinc/44/36/44/707443644.db2.gz MYHMFBXKXITBOK-HIFRSBDPSA-N 2 1 345.451 1.030 20 0 EDADMP COc1ncccc1CN1CC[C@H](N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001033199813 707453638 /nfs/dbraw/zinc/45/36/38/707453638.db2.gz YUOLECTVXAKNHO-DLBZAZTESA-N 2 1 346.475 1.607 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)n1 ZINC000999834094 707466929 /nfs/dbraw/zinc/46/69/29/707466929.db2.gz QTICOXZOKSGAMI-UHFFFAOYSA-N 2 1 335.452 1.368 20 0 EDADMP COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999836300 707471683 /nfs/dbraw/zinc/47/16/83/707471683.db2.gz JGVYMVUOOIXOPU-JEYLPNPQSA-N 2 1 332.448 1.121 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nocc2C)C1 ZINC000999875858 707522553 /nfs/dbraw/zinc/52/25/53/707522553.db2.gz BODUXFGYAHHCOF-VMBOVVBDSA-N 2 1 334.464 1.936 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nccnc2C)C1 ZINC000999877069 707525762 /nfs/dbraw/zinc/52/57/62/707525762.db2.gz YDLBEZPVVSKPFI-LEOMRAHMSA-N 2 1 345.491 1.738 20 0 EDADMP C[C@@H](NCc1ncnn1C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004875744 707541755 /nfs/dbraw/zinc/54/17/55/707541755.db2.gz HAPWTFZJASHLLQ-ZBFHGGJFSA-N 2 1 348.495 1.159 20 0 EDADMP C[C@@H]([NH2+]Cc1ncnn1C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004875744 707541760 /nfs/dbraw/zinc/54/17/60/707541760.db2.gz HAPWTFZJASHLLQ-ZBFHGGJFSA-N 2 1 348.495 1.159 20 0 EDADMP Cc1noc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)n1 ZINC001004923881 707662358 /nfs/dbraw/zinc/66/23/58/707662358.db2.gz DNRIFEMZAZZNJZ-CZUORRHYSA-N 2 1 349.479 1.579 20 0 EDADMP C[C@H]([NH2+]Cc1ccon1)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004925151 707665751 /nfs/dbraw/zinc/66/57/51/707665751.db2.gz HZZMAUMFZXMTGW-WMLDXEAASA-N 2 1 334.464 1.876 20 0 EDADMP CC(C)[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995587 707674239 /nfs/dbraw/zinc/67/42/39/707674239.db2.gz GZHRCVNDSVLLMT-HOTGVXAUSA-N 2 1 334.468 1.034 20 0 EDADMP CC(C)[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999995587 707674242 /nfs/dbraw/zinc/67/42/42/707674242.db2.gz GZHRCVNDSVLLMT-HOTGVXAUSA-N 2 1 334.468 1.034 20 0 EDADMP CC(C)[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C)nn2)C1 ZINC000999995587 707674247 /nfs/dbraw/zinc/67/42/47/707674247.db2.gz GZHRCVNDSVLLMT-HOTGVXAUSA-N 2 1 334.468 1.034 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395318 707732217 /nfs/dbraw/zinc/73/22/17/707732217.db2.gz HCZFQGIVPSSHRT-MRXNPFEDSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395318 707732221 /nfs/dbraw/zinc/73/22/21/707732221.db2.gz HCZFQGIVPSSHRT-MRXNPFEDSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1ccncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001032730448 707738644 /nfs/dbraw/zinc/73/86/44/707738644.db2.gz FTGAXJLFNHNYCY-SZMVWBNQSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1ccncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001032730448 707738649 /nfs/dbraw/zinc/73/86/49/707738649.db2.gz FTGAXJLFNHNYCY-SZMVWBNQSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1ccncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032730448 707738654 /nfs/dbraw/zinc/73/86/54/707738654.db2.gz FTGAXJLFNHNYCY-SZMVWBNQSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1ccncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032730448 707738658 /nfs/dbraw/zinc/73/86/58/707738658.db2.gz FTGAXJLFNHNYCY-SZMVWBNQSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033389634 707760880 /nfs/dbraw/zinc/76/08/80/707760880.db2.gz DXIDMTGHHSZFNF-MRXNPFEDSA-N 2 1 349.479 1.185 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCc3ccns3)C2)C1 ZINC001033421482 707835160 /nfs/dbraw/zinc/83/51/60/707835160.db2.gz YEMRCQPDLHNWHP-LSDHHAIUSA-N 2 1 336.505 1.560 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCc3ccns3)C2)C1 ZINC001033421482 707835163 /nfs/dbraw/zinc/83/51/63/707835163.db2.gz YEMRCQPDLHNWHP-LSDHHAIUSA-N 2 1 336.505 1.560 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCc3ccns3)C2)C1 ZINC001033421482 707835165 /nfs/dbraw/zinc/83/51/65/707835165.db2.gz YEMRCQPDLHNWHP-LSDHHAIUSA-N 2 1 336.505 1.560 20 0 EDADMP CC[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1)OC ZINC001033466734 707924343 /nfs/dbraw/zinc/92/43/43/707924343.db2.gz LTHZGJYVYSTXGF-JKSUJKDBSA-N 2 1 336.480 1.964 20 0 EDADMP CC[C@H](C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1)OC ZINC001033466734 707924345 /nfs/dbraw/zinc/92/43/45/707924345.db2.gz LTHZGJYVYSTXGF-JKSUJKDBSA-N 2 1 336.480 1.964 20 0 EDADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCn2cncn2)C1)[NH+]1CCCCCC1 ZINC001033467894 707926470 /nfs/dbraw/zinc/92/64/70/707926470.db2.gz SMFKJUFLHWLNPF-IRXDYDNUSA-N 2 1 348.495 1.075 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC001000377926 708003386 /nfs/dbraw/zinc/00/33/86/708003386.db2.gz LOGMWKPRZXWOIB-HOCLYGCPSA-N 2 1 335.452 1.413 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC001000377926 708003388 /nfs/dbraw/zinc/00/33/88/708003388.db2.gz LOGMWKPRZXWOIB-HOCLYGCPSA-N 2 1 335.452 1.413 20 0 EDADMP O=C(C1CC[NH+](CC2CC2)CC1)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001000656790 708058482 /nfs/dbraw/zinc/05/84/82/708058482.db2.gz KFXLXHDYFZSTIM-MRXNPFEDSA-N 2 1 347.463 1.272 20 0 EDADMP Cc1nc(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC001000915514 708076509 /nfs/dbraw/zinc/07/65/09/708076509.db2.gz DNRYJYXJGNHDRC-GJZGRUSLSA-N 2 1 336.505 1.526 20 0 EDADMP CCc1ccccc1CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016249871 708122763 /nfs/dbraw/zinc/12/27/63/708122763.db2.gz KEDTXYCMAHRNIQ-RBUKOAKNSA-N 2 1 329.488 1.934 20 0 EDADMP CCc1ccccc1CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016249871 708122765 /nfs/dbraw/zinc/12/27/65/708122765.db2.gz KEDTXYCMAHRNIQ-RBUKOAKNSA-N 2 1 329.488 1.934 20 0 EDADMP CCc1ccccc1CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016249871 708122767 /nfs/dbraw/zinc/12/27/67/708122767.db2.gz KEDTXYCMAHRNIQ-RBUKOAKNSA-N 2 1 329.488 1.934 20 0 EDADMP O=C(NCC1CC[NH+](C/C=C/Cl)CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001001424606 708146722 /nfs/dbraw/zinc/14/67/22/708146722.db2.gz JBNJTCVNSXJBQZ-ZKYZJJDDSA-N 2 1 341.883 1.430 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582954 708266795 /nfs/dbraw/zinc/26/67/95/708266795.db2.gz RTBAMMYVXIQLHB-JKSUJKDBSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033582954 708266797 /nfs/dbraw/zinc/26/67/97/708266797.db2.gz RTBAMMYVXIQLHB-JKSUJKDBSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033582954 708266800 /nfs/dbraw/zinc/26/68/00/708266800.db2.gz RTBAMMYVXIQLHB-JKSUJKDBSA-N 2 1 334.464 1.666 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033591457 708289065 /nfs/dbraw/zinc/28/90/65/708289065.db2.gz CGOCARAXSSZOSY-ROUUACIJSA-N 2 1 349.519 1.556 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033591453 708289248 /nfs/dbraw/zinc/28/92/48/708289248.db2.gz CGOCARAXSSZOSY-MSOLQXFVSA-N 2 1 349.519 1.556 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033585001 708311828 /nfs/dbraw/zinc/31/18/28/708311828.db2.gz DHPCPKNMKATBKS-GJZGRUSLSA-N 2 1 332.448 1.330 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033585001 708311834 /nfs/dbraw/zinc/31/18/34/708311834.db2.gz DHPCPKNMKATBKS-GJZGRUSLSA-N 2 1 332.448 1.330 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001033663542 708443563 /nfs/dbraw/zinc/44/35/63/708443563.db2.gz WXMCPXWJBOYIFG-GJZGRUSLSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001033663542 708443567 /nfs/dbraw/zinc/44/35/67/708443567.db2.gz WXMCPXWJBOYIFG-GJZGRUSLSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001033663542 708443569 /nfs/dbraw/zinc/44/35/69/708443569.db2.gz WXMCPXWJBOYIFG-GJZGRUSLSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001033663542 708443571 /nfs/dbraw/zinc/44/35/71/708443571.db2.gz WXMCPXWJBOYIFG-GJZGRUSLSA-N 2 1 334.464 1.530 20 0 EDADMP CCOC1CC(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001033667486 708454899 /nfs/dbraw/zinc/45/48/99/708454899.db2.gz HGKOFAAZDOTUPV-CGZBRXJRSA-N 2 1 334.464 1.539 20 0 EDADMP CCOC1CC(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001033667486 708454904 /nfs/dbraw/zinc/45/49/04/708454904.db2.gz HGKOFAAZDOTUPV-CGZBRXJRSA-N 2 1 334.464 1.539 20 0 EDADMP COc1cc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)ccn1 ZINC001002119590 708632759 /nfs/dbraw/zinc/63/27/59/708632759.db2.gz BTMUYMKXMKYVLI-KRWDZBQOSA-N 2 1 346.475 1.370 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3cncc(F)c3)CC2)C1 ZINC001002120129 708633678 /nfs/dbraw/zinc/63/36/78/708633678.db2.gz GIGLCRPCROPHLV-MRXNPFEDSA-N 2 1 334.439 1.501 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3cncc(F)c3)CC2)C1 ZINC001002120129 708633679 /nfs/dbraw/zinc/63/36/79/708633679.db2.gz GIGLCRPCROPHLV-MRXNPFEDSA-N 2 1 334.439 1.501 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3ccc(CO)cc3)CC2)C1 ZINC001002122082 708636274 /nfs/dbraw/zinc/63/62/74/708636274.db2.gz YEXSNEYIPZYMJC-IBGZPJMESA-N 2 1 345.487 1.459 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001002125923 708641270 /nfs/dbraw/zinc/64/12/70/708641270.db2.gz MJZSYSAZBGPJPV-OAHLLOKOSA-N 2 1 329.435 1.812 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002126673 708642450 /nfs/dbraw/zinc/64/24/50/708642450.db2.gz OSYULWMLXRNYMZ-MRXNPFEDSA-N 2 1 331.464 1.065 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033829669 708850011 /nfs/dbraw/zinc/85/00/11/708850011.db2.gz AQKPJJBWRZKINC-QZTJIDSGSA-N 2 1 345.491 1.185 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033829669 708850013 /nfs/dbraw/zinc/85/00/13/708850013.db2.gz AQKPJJBWRZKINC-QZTJIDSGSA-N 2 1 345.491 1.185 20 0 EDADMP CC[C@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)OC ZINC001005408351 708916120 /nfs/dbraw/zinc/91/61/20/708916120.db2.gz XJTXMWWNYQBRDE-DJIMGWMZSA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001005426332 708978239 /nfs/dbraw/zinc/97/82/39/708978239.db2.gz SHIRKFOGGZBJDF-QZTJIDSGSA-N 2 1 335.492 1.739 20 0 EDADMP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC001033884310 708987869 /nfs/dbraw/zinc/98/78/69/708987869.db2.gz YPVKFSNEUOJEIU-GOEBONIOSA-N 2 1 330.432 1.906 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC001002475324 709011081 /nfs/dbraw/zinc/01/10/81/709011081.db2.gz MCTDHJOZHKPKFQ-GOSISDBHSA-N 2 1 349.450 1.493 20 0 EDADMP Cc1ccc(C)c(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC001002525287 709080151 /nfs/dbraw/zinc/08/01/51/709080151.db2.gz ZCIZFMLXJCXBSF-LJQANCHMSA-N 2 1 345.487 1.715 20 0 EDADMP Cc1ccc(C)c(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC001002525287 709080155 /nfs/dbraw/zinc/08/01/55/709080155.db2.gz ZCIZFMLXJCXBSF-LJQANCHMSA-N 2 1 345.487 1.715 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033941279 709147948 /nfs/dbraw/zinc/14/79/48/709147948.db2.gz ORTQSCAGFCJIIZ-GOSISDBHSA-N 2 1 330.476 1.846 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033941310 709147993 /nfs/dbraw/zinc/14/79/93/709147993.db2.gz PFYCDMZEEQWFPN-SFHVURJKSA-N 2 1 347.507 1.227 20 0 EDADMP Cc1cccnc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034135603 709406400 /nfs/dbraw/zinc/40/64/00/709406400.db2.gz DLTMIYXGAGELEF-FUHWJXTLSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1cccnc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034135603 709406403 /nfs/dbraw/zinc/40/64/03/709406403.db2.gz DLTMIYXGAGELEF-FUHWJXTLSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1cccnc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034135603 709406405 /nfs/dbraw/zinc/40/64/05/709406405.db2.gz DLTMIYXGAGELEF-FUHWJXTLSA-N 2 1 330.476 1.955 20 0 EDADMP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001002813032 709420648 /nfs/dbraw/zinc/42/06/48/709420648.db2.gz WGQJXDSBHXELCT-FUHWJXTLSA-N 2 1 345.491 1.338 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3CC)C2)cn1 ZINC001016337390 709459451 /nfs/dbraw/zinc/45/94/51/709459451.db2.gz GZEBALLJFYIKAI-ROUUACIJSA-N 2 1 347.507 1.510 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)cn1 ZINC001016337390 709459452 /nfs/dbraw/zinc/45/94/52/709459452.db2.gz GZEBALLJFYIKAI-ROUUACIJSA-N 2 1 347.507 1.510 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)cn1 ZINC001016337390 709459453 /nfs/dbraw/zinc/45/94/53/709459453.db2.gz GZEBALLJFYIKAI-ROUUACIJSA-N 2 1 347.507 1.510 20 0 EDADMP O=C(NC1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001002875086 709481624 /nfs/dbraw/zinc/48/16/24/709481624.db2.gz NGQKDYWJLFQWRB-KBPBESRZSA-N 2 1 349.397 1.383 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](Cc2cccnc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034206388 709551757 /nfs/dbraw/zinc/55/17/57/709551757.db2.gz CJPYPLHGDZLZTG-RTBURBONSA-N 2 1 342.487 1.894 20 0 EDADMP O=C(N[C@H]1CCCC[N@H+](Cc2ccns2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034209577 709559346 /nfs/dbraw/zinc/55/93/46/709559346.db2.gz BSDIDEWCPQBLHF-RDJZCZTQSA-N 2 1 348.516 1.956 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](Cc2ccns2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034209577 709559349 /nfs/dbraw/zinc/55/93/49/709559349.db2.gz BSDIDEWCPQBLHF-RDJZCZTQSA-N 2 1 348.516 1.956 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCCC[N@@H+](CCC3CC3)C2)n1 ZINC001034211095 709561643 /nfs/dbraw/zinc/56/16/43/709561643.db2.gz XNFKRLGUKSKKFX-QGZVFWFLSA-N 2 1 347.507 1.829 20 0 EDADMP C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034213211 709565180 /nfs/dbraw/zinc/56/51/80/709565180.db2.gz WGKZAMUQZWQEIE-HZPDHXFCSA-N 2 1 325.497 1.602 20 0 EDADMP Cc1oncc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034214201 709566777 /nfs/dbraw/zinc/56/67/77/709566777.db2.gz IRUYYIYXWVVKOO-XOKHGSTOSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1oncc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034214201 709566779 /nfs/dbraw/zinc/56/67/79/709566779.db2.gz IRUYYIYXWVVKOO-XOKHGSTOSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1oncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034214201 709566780 /nfs/dbraw/zinc/56/67/80/709566780.db2.gz IRUYYIYXWVVKOO-XOKHGSTOSA-N 2 1 334.464 1.794 20 0 EDADMP CCOC1CC(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001034309928 709752625 /nfs/dbraw/zinc/75/26/25/709752625.db2.gz QYGDXPPSYGIDBH-LXPRWKDFSA-N 2 1 348.491 1.977 20 0 EDADMP CCOC1CC(C[N@H+]2CCCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001034309928 709752628 /nfs/dbraw/zinc/75/26/28/709752628.db2.gz QYGDXPPSYGIDBH-LXPRWKDFSA-N 2 1 348.491 1.977 20 0 EDADMP COCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444944 709989304 /nfs/dbraw/zinc/98/93/04/709989304.db2.gz NSBOHXGPEUGWNR-GOSISDBHSA-N 2 1 333.476 1.979 20 0 EDADMP C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445181 709989610 /nfs/dbraw/zinc/98/96/10/709989610.db2.gz QLDZJADUWQEPQQ-YJBOKZPZSA-N 2 1 333.476 1.713 20 0 EDADMP COCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034439208 710015416 /nfs/dbraw/zinc/01/54/16/710015416.db2.gz SJLYTKUCLRHIQW-IRXDYDNUSA-N 2 1 325.497 1.866 20 0 EDADMP COCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034439208 710015423 /nfs/dbraw/zinc/01/54/23/710015423.db2.gz SJLYTKUCLRHIQW-IRXDYDNUSA-N 2 1 325.497 1.866 20 0 EDADMP COCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034439208 710015429 /nfs/dbraw/zinc/01/54/29/710015429.db2.gz SJLYTKUCLRHIQW-IRXDYDNUSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001003157512 710059877 /nfs/dbraw/zinc/05/98/77/710059877.db2.gz ALQOTPHAZXEJIP-PBHICJAKSA-N 2 1 331.464 1.603 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001003157512 710059882 /nfs/dbraw/zinc/05/98/82/710059882.db2.gz ALQOTPHAZXEJIP-PBHICJAKSA-N 2 1 331.464 1.603 20 0 EDADMP Cc1ccncc1C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003165603 710077151 /nfs/dbraw/zinc/07/71/51/710077151.db2.gz HPHXWCVLPMHPTF-GOSISDBHSA-N 2 1 330.476 1.955 20 0 EDADMP O=C(N[C@@H]1CCCC[N@H+](Cc2ccns2)C1)C12CC[NH+](CC1)C2 ZINC001034489709 710107517 /nfs/dbraw/zinc/10/75/17/710107517.db2.gz CKQVWDPTDFJTFV-CQSZACIVSA-N 2 1 334.489 1.710 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](Cc2ccns2)C1)C12CC[NH+](CC1)C2 ZINC001034489709 710107520 /nfs/dbraw/zinc/10/75/20/710107520.db2.gz CKQVWDPTDFJTFV-CQSZACIVSA-N 2 1 334.489 1.710 20 0 EDADMP Cn1cc(CC[N@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001034488647 710137981 /nfs/dbraw/zinc/13/79/81/710137981.db2.gz WZLFCMHMUSWJSH-QGZVFWFLSA-N 2 1 345.491 1.029 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)CC1 ZINC001034606742 710270001 /nfs/dbraw/zinc/27/00/01/710270001.db2.gz CHIJNYWFQXMOGN-FHWLQOOXSA-N 2 1 345.487 1.790 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)[nH]1 ZINC001034642521 710318144 /nfs/dbraw/zinc/31/81/44/710318144.db2.gz GJYXTHWKRUXVHF-JYJNAYRXSA-N 2 1 348.495 1.503 20 0 EDADMP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC001034648076 710325026 /nfs/dbraw/zinc/32/50/26/710325026.db2.gz XHMBLCKVQUWPGX-KBUPBQIOSA-N 2 1 349.479 1.489 20 0 EDADMP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC001034648076 710325029 /nfs/dbraw/zinc/32/50/29/710325029.db2.gz XHMBLCKVQUWPGX-KBUPBQIOSA-N 2 1 349.479 1.489 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC001003484029 710378312 /nfs/dbraw/zinc/37/83/12/710378312.db2.gz UVBJLDYFZMJPCG-QGZVFWFLSA-N 2 1 347.507 1.623 20 0 EDADMP Cc1cccc(NCCNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000922204520 710421523 /nfs/dbraw/zinc/42/15/23/710421523.db2.gz XQPDVZNJKJHKAH-INIZCTEOSA-N 2 1 349.479 1.602 20 0 EDADMP Cc1cccc(NCCNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)[nH+]1 ZINC000922204520 710421525 /nfs/dbraw/zinc/42/15/25/710421525.db2.gz XQPDVZNJKJHKAH-INIZCTEOSA-N 2 1 349.479 1.602 20 0 EDADMP Cc1cccc(NCCNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)[nH+]1 ZINC000922204520 710421527 /nfs/dbraw/zinc/42/15/27/710421527.db2.gz XQPDVZNJKJHKAH-INIZCTEOSA-N 2 1 349.479 1.602 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CCC2CCOCC2)CC1 ZINC001003628195 710458128 /nfs/dbraw/zinc/45/81/28/710458128.db2.gz NXDHUSBLNKJDAF-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)c(C)o1 ZINC001003635316 710462541 /nfs/dbraw/zinc/46/25/41/710462541.db2.gz OJLBFGOBMNRSSE-MLGOLLRUSA-N 2 1 334.464 1.570 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)c(C)o1 ZINC001003635316 710462543 /nfs/dbraw/zinc/46/25/43/710462543.db2.gz OJLBFGOBMNRSSE-MLGOLLRUSA-N 2 1 334.464 1.570 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC001003636118 710463019 /nfs/dbraw/zinc/46/30/19/710463019.db2.gz SRPDCBIFUIRZJY-GUYCJALGSA-N 2 1 346.475 1.830 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC001003636118 710463021 /nfs/dbraw/zinc/46/30/21/710463021.db2.gz SRPDCBIFUIRZJY-GUYCJALGSA-N 2 1 346.475 1.830 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003668046 710480208 /nfs/dbraw/zinc/48/02/08/710480208.db2.gz VUSOPPKDLOESEA-LZQZEXGQSA-N 2 1 345.487 1.293 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)on1 ZINC001003744486 710527544 /nfs/dbraw/zinc/52/75/44/710527544.db2.gz FTGSSMCTQZPYKJ-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001034673500 710611349 /nfs/dbraw/zinc/61/13/49/710611349.db2.gz BPILDWVSRNARIP-ZOBUZTSGSA-N 2 1 334.464 1.984 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001005589511 710643464 /nfs/dbraw/zinc/64/34/64/710643464.db2.gz QVLWAWNDESUFEJ-GOSISDBHSA-N 2 1 347.507 1.370 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC001034684433 710704279 /nfs/dbraw/zinc/70/42/79/710704279.db2.gz YUAVEMSHSPAJFJ-SHTZXODSSA-N 2 1 347.463 1.523 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1 ZINC001034692659 710782492 /nfs/dbraw/zinc/78/24/92/710782492.db2.gz NLHDVUQPBLQUES-HDJSIYSDSA-N 2 1 333.461 1.865 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]CCO)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001034715860 710854501 /nfs/dbraw/zinc/85/45/01/710854501.db2.gz QNTVHMUGDZKVPZ-BQFCYCMXSA-N 2 1 337.508 1.793 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccn(C)n3)CC2)CC[N@H+]1C ZINC001034716959 710862516 /nfs/dbraw/zinc/86/25/16/710862516.db2.gz TWWYUYWTQPPCGH-QAETUUGQSA-N 2 1 347.507 1.667 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC001034734067 710915228 /nfs/dbraw/zinc/91/52/28/710915228.db2.gz JDBLXNSFSQDAIT-BRSBDYLESA-N 2 1 337.508 1.772 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)ncn1 ZINC001034738604 710954112 /nfs/dbraw/zinc/95/41/12/710954112.db2.gz UOEWNSYWFWCHIS-MBGYTDRXSA-N 2 1 345.491 1.500 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032959901 710994553 /nfs/dbraw/zinc/99/45/53/710994553.db2.gz KLYBGOFEQJNICQ-QZTJIDSGSA-N 2 1 347.507 1.899 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032959901 710994558 /nfs/dbraw/zinc/99/45/58/710994558.db2.gz KLYBGOFEQJNICQ-QZTJIDSGSA-N 2 1 347.507 1.899 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032959901 710994562 /nfs/dbraw/zinc/99/45/62/710994562.db2.gz KLYBGOFEQJNICQ-QZTJIDSGSA-N 2 1 347.507 1.899 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032959901 710994568 /nfs/dbraw/zinc/99/45/68/710994568.db2.gz KLYBGOFEQJNICQ-QZTJIDSGSA-N 2 1 347.507 1.899 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034791896 711117520 /nfs/dbraw/zinc/11/75/20/711117520.db2.gz XEQZNHOXYKBCCP-JYJNAYRXSA-N 2 1 331.464 1.254 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nc(C4CC4)no3)CC2)C1 ZINC001034792011 711118589 /nfs/dbraw/zinc/11/85/89/711118589.db2.gz BUARIWOOWHUMMT-RBSFLKMASA-N 2 1 347.463 1.416 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nc(C4CC4)no3)CC2)C1 ZINC001034792011 711118593 /nfs/dbraw/zinc/11/85/93/711118593.db2.gz BUARIWOOWHUMMT-RBSFLKMASA-N 2 1 347.463 1.416 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001034792414 711119546 /nfs/dbraw/zinc/11/95/46/711119546.db2.gz JCZNWPLXHRTVEQ-KBUPBQIOSA-N 2 1 349.479 1.662 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1ncccn1 ZINC001034793302 711123000 /nfs/dbraw/zinc/12/30/00/711123000.db2.gz VUHXYXFATRQUMX-KLHDSHLOSA-N 2 1 331.464 1.506 20 0 EDADMP CO[C@H](C[NH+]1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1)C1CCC1 ZINC001005718386 711137321 /nfs/dbraw/zinc/13/73/21/711137321.db2.gz FPZSQXFCWSZSBG-GOSISDBHSA-N 2 1 348.491 1.929 20 0 EDADMP COC[C@H](C)[NH+]1CCC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001005723588 711149416 /nfs/dbraw/zinc/14/94/16/711149416.db2.gz SQKNYEFSYDEGLM-HNNXBMFYSA-N 2 1 348.491 1.720 20 0 EDADMP CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740723 711275021 /nfs/dbraw/zinc/27/50/21/711275021.db2.gz HMBMBZVZSUQJQH-RMXPPQQLSA-N 2 1 335.492 1.573 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)co1 ZINC001034942373 711395014 /nfs/dbraw/zinc/39/50/14/711395014.db2.gz WNOLILSSZRFVIL-IAGOWNOFSA-N 2 1 332.448 1.405 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1coc(C)n1 ZINC001034954160 711419963 /nfs/dbraw/zinc/41/99/63/711419963.db2.gz NPFCFBZXJRDSHY-SJORKVTESA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1coc(C)n1 ZINC001034954160 711419965 /nfs/dbraw/zinc/41/99/65/711419965.db2.gz NPFCFBZXJRDSHY-SJORKVTESA-N 2 1 334.464 1.938 20 0 EDADMP CCn1ccnc1C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001034957778 711429921 /nfs/dbraw/zinc/42/99/21/711429921.db2.gz IZXZBUIYLSDMSQ-MRXNPFEDSA-N 2 1 333.480 1.468 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)C2 ZINC000922386546 711447673 /nfs/dbraw/zinc/44/76/73/711447673.db2.gz FWYGHHOMUINHHU-MTNOOBJLSA-N 2 1 348.491 1.286 20 0 EDADMP O=C(N1CCC[C@@H]1C[NH2+]Cc1csnn1)C12CCC[NH+](CCC1)C2 ZINC001034969508 711449144 /nfs/dbraw/zinc/44/91/44/711449144.db2.gz DGHZLXZUVSDCLF-OAHLLOKOSA-N 2 1 349.504 1.495 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc([C@H](C)O)s1)C2 ZINC000922391595 711456251 /nfs/dbraw/zinc/45/62/51/711456251.db2.gz WVYRJPUBSLCETN-IEEZVJAPSA-N 2 1 339.505 1.766 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnn4c3CCC4)C2)[C@@H]1C(C)C ZINC000922395538 711469029 /nfs/dbraw/zinc/46/90/29/711469029.db2.gz SSBRURNINFRVIU-YSHGAJCASA-N 2 1 332.492 1.789 20 0 EDADMP CCn1nnc(C)c1C[NH2+][C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922396061 711470751 /nfs/dbraw/zinc/47/07/51/711470751.db2.gz ZUFXKPYLBYVDSD-BGTYHANMSA-N 2 1 335.496 1.566 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001004144778 711547061 /nfs/dbraw/zinc/54/70/61/711547061.db2.gz PWZGFGRJUADVKP-OAHLLOKOSA-N 2 1 332.448 1.123 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001004144778 711547063 /nfs/dbraw/zinc/54/70/63/711547063.db2.gz PWZGFGRJUADVKP-OAHLLOKOSA-N 2 1 332.448 1.123 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)sc1C ZINC001004145778 711555544 /nfs/dbraw/zinc/55/55/44/711555544.db2.gz UDPONFWCLXABNU-AWEZNQCLSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)sc1C ZINC001004145778 711555546 /nfs/dbraw/zinc/55/55/46/711555546.db2.gz UDPONFWCLXABNU-AWEZNQCLSA-N 2 1 336.505 1.792 20 0 EDADMP CCC(CC)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001004179378 711620804 /nfs/dbraw/zinc/62/08/04/711620804.db2.gz QGPSNNBTCIFOGT-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP CCC(CC)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004179378 711620805 /nfs/dbraw/zinc/62/08/05/711620805.db2.gz QGPSNNBTCIFOGT-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1cc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000922527551 711656613 /nfs/dbraw/zinc/65/66/13/711656613.db2.gz FEYMRAKGTHULAG-HOCLYGCPSA-N 2 1 331.464 1.882 20 0 EDADMP Cc1cc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000922527551 711656615 /nfs/dbraw/zinc/65/66/15/711656615.db2.gz FEYMRAKGTHULAG-HOCLYGCPSA-N 2 1 331.464 1.882 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004482156 711860020 /nfs/dbraw/zinc/86/00/20/711860020.db2.gz CBIGKUJUVKTWLQ-QGZVFWFLSA-N 2 1 334.464 1.541 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004482156 711860021 /nfs/dbraw/zinc/86/00/21/711860021.db2.gz CBIGKUJUVKTWLQ-QGZVFWFLSA-N 2 1 334.464 1.541 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004490697 711870091 /nfs/dbraw/zinc/87/00/91/711870091.db2.gz RULNZOUAFDAPHD-SFHVURJKSA-N 2 1 342.443 1.643 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033127590 711878059 /nfs/dbraw/zinc/87/80/59/711878059.db2.gz WHAKYYHHTBOZME-IRXDYDNUSA-N 2 1 333.480 1.290 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033127590 711878061 /nfs/dbraw/zinc/87/80/61/711878061.db2.gz WHAKYYHHTBOZME-IRXDYDNUSA-N 2 1 333.480 1.290 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033127590 711878065 /nfs/dbraw/zinc/87/80/65/711878065.db2.gz WHAKYYHHTBOZME-IRXDYDNUSA-N 2 1 333.480 1.290 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004546064 711957006 /nfs/dbraw/zinc/95/70/06/711957006.db2.gz FWSNAXANPNDHHI-SJLPKXTDSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001004546064 711957008 /nfs/dbraw/zinc/95/70/08/711957008.db2.gz FWSNAXANPNDHHI-SJLPKXTDSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001004546064 711957011 /nfs/dbraw/zinc/95/70/11/711957011.db2.gz FWSNAXANPNDHHI-SJLPKXTDSA-N 2 1 337.508 1.820 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004574857 712001357 /nfs/dbraw/zinc/00/13/57/712001357.db2.gz FTMXMPXITMCGKC-IBGZPJMESA-N 2 1 349.519 1.822 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004574857 712001362 /nfs/dbraw/zinc/00/13/62/712001362.db2.gz FTMXMPXITMCGKC-IBGZPJMESA-N 2 1 349.519 1.822 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004576473 712003136 /nfs/dbraw/zinc/00/31/36/712003136.db2.gz MTHMEWIWPJCMGQ-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004576473 712003138 /nfs/dbraw/zinc/00/31/38/712003138.db2.gz MTHMEWIWPJCMGQ-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004596515 712037480 /nfs/dbraw/zinc/03/74/80/712037480.db2.gz MQZDMTJIMOYNPM-WMZOPIPTSA-N 2 1 337.508 1.678 20 0 EDADMP COCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004596515 712037482 /nfs/dbraw/zinc/03/74/82/712037482.db2.gz MQZDMTJIMOYNPM-WMZOPIPTSA-N 2 1 337.508 1.678 20 0 EDADMP COCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004596515 712037485 /nfs/dbraw/zinc/03/74/85/712037485.db2.gz MQZDMTJIMOYNPM-WMZOPIPTSA-N 2 1 337.508 1.678 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946644705 712151206 /nfs/dbraw/zinc/15/12/06/712151206.db2.gz ICPHKCIJKQJTHW-AKHDSKFASA-N 2 1 349.519 1.678 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946644705 712151208 /nfs/dbraw/zinc/15/12/08/712151208.db2.gz ICPHKCIJKQJTHW-AKHDSKFASA-N 2 1 349.519 1.678 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946644705 712151210 /nfs/dbraw/zinc/15/12/10/712151210.db2.gz ICPHKCIJKQJTHW-AKHDSKFASA-N 2 1 349.519 1.678 20 0 EDADMP CCNc1nc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000557736315 306233650 /nfs/dbraw/zinc/23/36/50/306233650.db2.gz BIERCQVJNMCTJA-KBPBESRZSA-N 2 1 347.511 1.999 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000340125168 282248794 /nfs/dbraw/zinc/24/87/94/282248794.db2.gz RDGRRSOKAGGGPR-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000079101259 539468998 /nfs/dbraw/zinc/46/89/98/539468998.db2.gz TYPNGIQFYBUQSL-ZACQAIPSSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000079101259 539469005 /nfs/dbraw/zinc/46/90/05/539469005.db2.gz TYPNGIQFYBUQSL-ZACQAIPSSA-N 2 1 338.496 1.269 20 0 EDADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000178672512 232364104 /nfs/dbraw/zinc/36/41/04/232364104.db2.gz XFRSQIZOXVBLHQ-HZPDHXFCSA-N 2 1 333.476 1.941 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000102010263 219179747 /nfs/dbraw/zinc/17/97/47/219179747.db2.gz NMKXVBPMQAROPP-UHFFFAOYSA-N 2 1 336.480 1.766 20 0 EDADMP C[C@@H]1CN(CCO)CCN1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000560516003 306273010 /nfs/dbraw/zinc/27/30/10/306273010.db2.gz VUXQIQMATDSERA-NJAFHUGGSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000560516003 306273011 /nfs/dbraw/zinc/27/30/11/306273011.db2.gz VUXQIQMATDSERA-NJAFHUGGSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000560516003 306273012 /nfs/dbraw/zinc/27/30/12/306273012.db2.gz VUXQIQMATDSERA-NJAFHUGGSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000560516003 306273014 /nfs/dbraw/zinc/27/30/14/306273014.db2.gz VUXQIQMATDSERA-NJAFHUGGSA-N 2 1 346.475 1.140 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000066533983 215050774 /nfs/dbraw/zinc/05/07/74/215050774.db2.gz RLEVBCWVWIOBIU-UHFFFAOYSA-N 2 1 344.459 1.674 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000561145576 306282639 /nfs/dbraw/zinc/28/26/39/306282639.db2.gz WBQXXBREWJNUSA-FUHWJXTLSA-N 2 1 330.476 1.950 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)Nc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000332817781 539605342 /nfs/dbraw/zinc/60/53/42/539605342.db2.gz PLECOQWJYLYJHZ-DLBZAZTESA-N 2 1 344.459 1.430 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCC[N@H+]1C ZINC000333693249 539643269 /nfs/dbraw/zinc/64/32/69/539643269.db2.gz CRKYJEUVLHUXLX-LJIGWXMPSA-N 2 1 348.495 1.372 20 0 EDADMP CC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000103319109 219290005 /nfs/dbraw/zinc/29/00/05/219290005.db2.gz BVORJRSEZYSZTE-LJQANCHMSA-N 2 1 344.503 1.898 20 0 EDADMP CC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000103319109 219290008 /nfs/dbraw/zinc/29/00/08/219290008.db2.gz BVORJRSEZYSZTE-LJQANCHMSA-N 2 1 344.503 1.898 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000151493450 539754734 /nfs/dbraw/zinc/75/47/34/539754734.db2.gz LYMQQQHIFUPGCJ-JKSUJKDBSA-N 2 1 328.501 1.514 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000151493450 539754736 /nfs/dbraw/zinc/75/47/36/539754736.db2.gz LYMQQQHIFUPGCJ-JKSUJKDBSA-N 2 1 328.501 1.514 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)C1 ZINC000342975716 539768564 /nfs/dbraw/zinc/76/85/64/539768564.db2.gz JIGCXTHOQYMZPB-JKSUJKDBSA-N 2 1 340.512 1.023 20 0 EDADMP COc1ccnc(N2CCN(C(=O)N[C@H](C)Cn3ccnc3)CC2)c1 ZINC000103861002 219327732 /nfs/dbraw/zinc/32/77/32/219327732.db2.gz UOQWTKITJLGCGY-CQSZACIVSA-N 2 1 344.419 1.207 20 0 EDADMP CCN1CCCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000104215240 219361927 /nfs/dbraw/zinc/36/19/27/219361927.db2.gz UKHZNBMBKRJWNL-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152504775 539815379 /nfs/dbraw/zinc/81/53/79/539815379.db2.gz NMTBCGQPBXUZPO-ZBFHGGJFSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152504775 539815382 /nfs/dbraw/zinc/81/53/82/539815382.db2.gz NMTBCGQPBXUZPO-ZBFHGGJFSA-N 2 1 326.485 1.079 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000152657054 539824612 /nfs/dbraw/zinc/82/46/12/539824612.db2.gz PCPIMIWUDVHELO-ZBFHGGJFSA-N 2 1 326.485 1.127 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000152657054 539824617 /nfs/dbraw/zinc/82/46/17/539824617.db2.gz PCPIMIWUDVHELO-ZBFHGGJFSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104520370 219393061 /nfs/dbraw/zinc/39/30/61/219393061.db2.gz ZZNZQKFUGWOSJN-INIZCTEOSA-N 2 1 332.448 1.613 20 0 EDADMP CC1=CC[N@H+](CCNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000562806894 306309690 /nfs/dbraw/zinc/30/96/90/306309690.db2.gz LTBVAYZNFYZZSM-KRWDZBQOSA-N 2 1 329.448 1.390 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000562806894 306309691 /nfs/dbraw/zinc/30/96/91/306309691.db2.gz LTBVAYZNFYZZSM-KRWDZBQOSA-N 2 1 329.448 1.390 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000163900133 540057919 /nfs/dbraw/zinc/05/79/19/540057919.db2.gz IYUDOZJFTLBKIQ-ZIFCJYIRSA-N 2 1 339.524 1.407 20 0 EDADMP CCC[N@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000069091296 138197680 /nfs/dbraw/zinc/19/76/80/138197680.db2.gz UZDMXHVTYDRSKR-INIZCTEOSA-N 2 1 333.476 1.865 20 0 EDADMP CCC[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000069091296 138197681 /nfs/dbraw/zinc/19/76/81/138197681.db2.gz UZDMXHVTYDRSKR-INIZCTEOSA-N 2 1 333.476 1.865 20 0 EDADMP COCCOCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000079498244 138261730 /nfs/dbraw/zinc/26/17/30/138261730.db2.gz XZSUERLASDDKSE-CALCHBBNSA-N 2 1 328.497 1.861 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NCC1CC[NH2+]CC1 ZINC000563593020 306340626 /nfs/dbraw/zinc/34/06/26/306340626.db2.gz GVCOUHLZKHDSIF-GOSISDBHSA-N 2 1 330.476 1.807 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)[NH+]1CCC(C)CC1 ZINC000333850179 295952754 /nfs/dbraw/zinc/95/27/54/295952754.db2.gz XBAMXIINIZTWSG-FUHWJXTLSA-N 2 1 345.491 1.858 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000107328024 283320133 /nfs/dbraw/zinc/32/01/33/283320133.db2.gz WJJKLFVGOKJNTA-IYBDPMFKSA-N 2 1 340.512 1.659 20 0 EDADMP Cc1nc2c(n1CCO)CC[C@@H](NC(=O)CC[N@@H+]1CCCC[C@@H]1C)C2 ZINC000563963962 306353654 /nfs/dbraw/zinc/35/36/54/306353654.db2.gz GCHQHQAQDKHAIU-GOEBONIOSA-N 2 1 348.491 1.422 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565588098 306387321 /nfs/dbraw/zinc/38/73/21/306387321.db2.gz XQUHHLYEMVHSGQ-DJIMGWMZSA-N 2 1 333.480 1.859 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+]1CCCC[C@@H]1C ZINC000414697353 304128694 /nfs/dbraw/zinc/12/86/94/304128694.db2.gz HAQVVNCYPIZWSS-UONOGXRCSA-N 2 1 344.459 1.607 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000414703067 304129853 /nfs/dbraw/zinc/12/98/53/304129853.db2.gz LNHVRMQEACWLQY-HNNXBMFYSA-N 2 1 346.475 1.583 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)C1 ZINC000414705854 304130362 /nfs/dbraw/zinc/13/03/62/304130362.db2.gz XOJWOEXMZVEJAF-QGZVFWFLSA-N 2 1 341.459 1.609 20 0 EDADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000414785746 304140544 /nfs/dbraw/zinc/14/05/44/304140544.db2.gz LSUHFOVIGTUZPM-LJQANCHMSA-N 2 1 343.450 1.799 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000414834512 304146006 /nfs/dbraw/zinc/14/60/06/304146006.db2.gz SJZWPKSZZKKNCH-XJKSGUPXSA-N 2 1 344.459 1.778 20 0 EDADMP c1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2c(c1)OCCO2 ZINC000415044683 304154222 /nfs/dbraw/zinc/15/42/22/304154222.db2.gz AXNSNOLMIMGCSS-UHFFFAOYSA-N 2 1 331.460 1.764 20 0 EDADMP CCN(C)c1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cn1 ZINC000415049560 304154747 /nfs/dbraw/zinc/15/47/47/304154747.db2.gz HQMORJYIUQQITN-UHFFFAOYSA-N 2 1 331.508 1.844 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000195162792 139008253 /nfs/dbraw/zinc/00/82/53/139008253.db2.gz MDSKEOQIPYKTSR-SJORKVTESA-N 2 1 330.476 1.313 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)C[C@H](C)O1 ZINC000195213456 139010299 /nfs/dbraw/zinc/01/02/99/139010299.db2.gz UYUDIRSJXAOHBT-FDCRZUCXSA-N 2 1 343.471 1.587 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)C[C@H](C)O1 ZINC000195213456 139010300 /nfs/dbraw/zinc/01/03/00/139010300.db2.gz UYUDIRSJXAOHBT-FDCRZUCXSA-N 2 1 343.471 1.587 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccc1F ZINC000415144149 304164517 /nfs/dbraw/zinc/16/45/17/304164517.db2.gz UPIKAKGPDISEDK-ROUUACIJSA-N 2 1 346.450 1.854 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000236690810 139028855 /nfs/dbraw/zinc/02/88/55/139028855.db2.gz BUFXEWICVUMQFH-GOSISDBHSA-N 2 1 332.492 1.785 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000237087165 139040222 /nfs/dbraw/zinc/04/02/22/139040222.db2.gz LQZNYNSJMWJEHW-RLFYNMQTSA-N 2 1 333.476 1.897 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000237087165 139040223 /nfs/dbraw/zinc/04/02/23/139040223.db2.gz LQZNYNSJMWJEHW-RLFYNMQTSA-N 2 1 333.476 1.897 20 0 EDADMP CN(C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC[NH2+]CC1 ZINC000237212954 139044486 /nfs/dbraw/zinc/04/44/86/139044486.db2.gz YIQLYHUGZIXWOY-UHFFFAOYSA-N 2 1 330.476 1.258 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C2([NH+]3CCN(C)CC3)CCCC2)C1 ZINC000369916573 284350731 /nfs/dbraw/zinc/35/07/31/284350731.db2.gz UUGBFZXFCQUVPW-QGZVFWFLSA-N 2 1 336.524 1.347 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000111468260 220158828 /nfs/dbraw/zinc/15/88/28/220158828.db2.gz BRMISWUZYWHMIJ-MRXNPFEDSA-N 2 1 326.485 1.272 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000238061448 139067904 /nfs/dbraw/zinc/06/79/04/139067904.db2.gz CQSGMCNVPJTELF-IAGOWNOFSA-N 2 1 333.501 1.862 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000415248272 304178727 /nfs/dbraw/zinc/17/87/27/304178727.db2.gz VVKFJRHWESDQNH-OKILXGFUSA-N 2 1 332.448 1.286 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000415248272 304178728 /nfs/dbraw/zinc/17/87/28/304178728.db2.gz VVKFJRHWESDQNH-OKILXGFUSA-N 2 1 332.448 1.286 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246677641 139117451 /nfs/dbraw/zinc/11/74/51/139117451.db2.gz FZIQXPZGFLUTAI-STQMWFEESA-N 2 1 333.436 1.051 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246677641 139117452 /nfs/dbraw/zinc/11/74/52/139117452.db2.gz FZIQXPZGFLUTAI-STQMWFEESA-N 2 1 333.436 1.051 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)C[C@H](C)O)CC1 ZINC000247081878 139134876 /nfs/dbraw/zinc/13/48/76/139134876.db2.gz WZQXDKDYUKWKJY-KRWDZBQOSA-N 2 1 333.476 1.342 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)C[C@H](C)O)CC1 ZINC000247081878 139134877 /nfs/dbraw/zinc/13/48/77/139134877.db2.gz WZQXDKDYUKWKJY-KRWDZBQOSA-N 2 1 333.476 1.342 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)C[C@H](C)O)CC1 ZINC000247081878 139134878 /nfs/dbraw/zinc/13/48/78/139134878.db2.gz WZQXDKDYUKWKJY-KRWDZBQOSA-N 2 1 333.476 1.342 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)C[C@H](C)O)CC1 ZINC000247081878 139134879 /nfs/dbraw/zinc/13/48/79/139134879.db2.gz WZQXDKDYUKWKJY-KRWDZBQOSA-N 2 1 333.476 1.342 20 0 EDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NC(C)(C)C[NH3+])c2C1 ZINC000415377804 304208394 /nfs/dbraw/zinc/20/83/94/304208394.db2.gz GLQXJMAVPKVPGU-ZDUSSCGKSA-N 2 1 346.475 1.839 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000247395912 139147295 /nfs/dbraw/zinc/14/72/95/139147295.db2.gz WMOGDHVGYXTXCN-SJORKVTESA-N 2 1 340.512 1.326 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000247395912 139147296 /nfs/dbraw/zinc/14/72/96/139147296.db2.gz WMOGDHVGYXTXCN-SJORKVTESA-N 2 1 340.512 1.326 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000247395912 139147297 /nfs/dbraw/zinc/14/72/97/139147297.db2.gz WMOGDHVGYXTXCN-SJORKVTESA-N 2 1 340.512 1.326 20 0 EDADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000247448511 139148898 /nfs/dbraw/zinc/14/88/98/139148898.db2.gz YTEQKNNKQIQOCZ-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000247448511 139148899 /nfs/dbraw/zinc/14/88/99/139148899.db2.gz YTEQKNNKQIQOCZ-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP OCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000248400205 139162048 /nfs/dbraw/zinc/16/20/48/139162048.db2.gz KREKNQSFSPUVIG-IPMKNSEASA-N 2 1 330.472 1.886 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC000093133150 218195816 /nfs/dbraw/zinc/19/58/16/218195816.db2.gz MHBCVDRZPXNMKU-QGZVFWFLSA-N 2 1 333.476 1.916 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H]1c1ccccc1 ZINC000248961326 139181720 /nfs/dbraw/zinc/18/17/20/139181720.db2.gz HQOYSYXUZSPRKQ-DOTOQJQBSA-N 2 1 325.416 1.231 20 0 EDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249281418 139190239 /nfs/dbraw/zinc/19/02/39/139190239.db2.gz GNVOKXWXNIILJO-RYQLBKOJSA-N 2 1 333.476 1.641 20 0 EDADMP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000261597746 139209453 /nfs/dbraw/zinc/20/94/53/139209453.db2.gz AIJBDRSMZXYJIS-OAHLLOKOSA-N 2 1 332.448 1.029 20 0 EDADMP Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000261597746 139209454 /nfs/dbraw/zinc/20/94/54/139209454.db2.gz AIJBDRSMZXYJIS-OAHLLOKOSA-N 2 1 332.448 1.029 20 0 EDADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261625006 139212353 /nfs/dbraw/zinc/21/23/53/139212353.db2.gz GPTUBMSAMJIWMP-CYBMUJFWSA-N 2 1 348.472 1.998 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261618290 139211540 /nfs/dbraw/zinc/21/15/40/139211540.db2.gz FSRBKQKCIUKATJ-CQSZACIVSA-N 2 1 346.406 1.768 20 0 EDADMP C[C@@]1(C[NH3+])CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000261774596 139224880 /nfs/dbraw/zinc/22/48/80/139224880.db2.gz FXFCTVLXOPLPKT-IBGZPJMESA-N 2 1 330.476 1.002 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000261820394 139228880 /nfs/dbraw/zinc/22/88/80/139228880.db2.gz WPNDFTWLFPHPCA-CYBMUJFWSA-N 2 1 329.366 1.992 20 0 EDADMP O=C(CC[C@@H]1CC[NH2+]C1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000261816472 139228477 /nfs/dbraw/zinc/22/84/77/139228477.db2.gz MFEXGEUVADEEFG-MRXNPFEDSA-N 2 1 348.466 1.454 20 0 EDADMP C[C@@H]([NH3+])CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000261899749 139235184 /nfs/dbraw/zinc/23/51/84/139235184.db2.gz UWIFZKWAJUYURK-CZUORRHYSA-N 2 1 332.448 1.529 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000569215806 306499927 /nfs/dbraw/zinc/49/99/27/306499927.db2.gz XROKJHJLQCEUKS-UHFFFAOYSA-N 2 1 340.512 1.790 20 0 EDADMP O=C(COc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCCC1 ZINC000262051089 139246732 /nfs/dbraw/zinc/24/67/32/139246732.db2.gz QGASAJFJDZSQON-HXUWFJFHSA-N 2 1 343.471 1.873 20 0 EDADMP O=C(COc1ccccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCCC1 ZINC000262051089 139246733 /nfs/dbraw/zinc/24/67/33/139246733.db2.gz QGASAJFJDZSQON-HXUWFJFHSA-N 2 1 343.471 1.873 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1-n1cncn1 ZINC000262070908 139248464 /nfs/dbraw/zinc/24/84/64/139248464.db2.gz CELFBDHVKUBDNU-KRWDZBQOSA-N 2 1 326.448 1.055 20 0 EDADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)s2)cn1 ZINC000262098273 139250724 /nfs/dbraw/zinc/25/07/24/139250724.db2.gz IILJCTPMXPRUBQ-HNNXBMFYSA-N 2 1 331.489 1.628 20 0 EDADMP Cc1cc(C)c(NC(=O)C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000262180145 139257784 /nfs/dbraw/zinc/25/77/84/139257784.db2.gz QZDNQVGLYZGWGF-UHFFFAOYSA-N 2 1 346.475 1.304 20 0 EDADMP Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000262180145 139257785 /nfs/dbraw/zinc/25/77/85/139257785.db2.gz QZDNQVGLYZGWGF-UHFFFAOYSA-N 2 1 346.475 1.304 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415556971 251009622 /nfs/dbraw/zinc/00/96/22/251009622.db2.gz SFOPVNWVXCOUTR-ZDUSSCGKSA-N 2 1 332.448 1.115 20 0 EDADMP [NH3+]CC1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000262200879 139259464 /nfs/dbraw/zinc/25/94/64/139259464.db2.gz IEXCVBHOLWCNGS-GOSISDBHSA-N 2 1 345.487 1.913 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(OCC[NH3+])cc3)CC[C@H]21 ZINC000415945791 251037204 /nfs/dbraw/zinc/03/72/04/251037204.db2.gz LOTZUXOIUXZXBD-RHSMWYFYSA-N 2 1 332.448 1.972 20 0 EDADMP Cc1ccc([C@H]2CSCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000262224029 139261425 /nfs/dbraw/zinc/26/14/25/139261425.db2.gz UTWVAELSBMQAAS-QGZVFWFLSA-N 2 1 333.501 1.907 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[C@H](C)O1 ZINC000262239182 139262836 /nfs/dbraw/zinc/26/28/36/139262836.db2.gz QEMYSHWYYWSLFH-NNXHMXCWSA-N 2 1 337.508 1.911 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[C@H](C)O1 ZINC000262239182 139262837 /nfs/dbraw/zinc/26/28/37/139262837.db2.gz QEMYSHWYYWSLFH-NNXHMXCWSA-N 2 1 337.508 1.911 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000416992968 251121487 /nfs/dbraw/zinc/12/14/87/251121487.db2.gz PTMOKMTWAVWFGL-GOSISDBHSA-N 2 1 347.507 1.361 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262325747 139270489 /nfs/dbraw/zinc/27/04/89/139270489.db2.gz DLQDPECTABCMQI-WTLGNFPFSA-N 2 1 345.487 1.504 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262372821 139274161 /nfs/dbraw/zinc/27/41/61/139274161.db2.gz WJUOQVCJQMUFQB-QGZVFWFLSA-N 2 1 345.491 1.152 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000417563604 251188749 /nfs/dbraw/zinc/18/87/49/251188749.db2.gz HGKOKBGAXWMYHC-AEFFLSMTSA-N 2 1 348.491 1.659 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC([NH3+])(CC)CC)[C@H](C)C1 ZINC000417664200 251219837 /nfs/dbraw/zinc/21/98/37/251219837.db2.gz BBJBTGBFPCSFKV-CVEARBPZSA-N 2 1 342.528 1.940 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417605161 251205206 /nfs/dbraw/zinc/20/52/06/251205206.db2.gz APNPXECENDXONQ-HNNXBMFYSA-N 2 1 326.510 1.066 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC2=CC[NH2+]CC2)[C@H](C)C1 ZINC000417668275 251220785 /nfs/dbraw/zinc/22/07/85/251220785.db2.gz JBXFGXOFFPICQV-WBVHZDCISA-N 2 1 338.496 1.342 20 0 EDADMP C[C@@H](CCC[NH3+])NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000417743756 251252521 /nfs/dbraw/zinc/25/25/21/251252521.db2.gz MFUYANGIJMLYIC-HOTGVXAUSA-N 2 1 348.495 1.019 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000418078526 251320215 /nfs/dbraw/zinc/32/02/15/251320215.db2.gz WJEBDBMTCXXUNV-QZTJIDSGSA-N 2 1 346.475 1.314 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418110021 251325321 /nfs/dbraw/zinc/32/53/21/251325321.db2.gz VSVBMNOHNJXWBY-OKZBNKHCSA-N 2 1 328.460 1.369 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000417851426 251297372 /nfs/dbraw/zinc/29/73/72/251297372.db2.gz YPKAPOHGYBPZGL-YSHGAJCASA-N 2 1 342.487 1.900 20 0 EDADMP CC[C@H]1CN(C(=O)NCC([NH3+])(CC)CC)C[C@H]1[NH+]1CCOCC1 ZINC000418429886 251367984 /nfs/dbraw/zinc/36/79/84/251367984.db2.gz SXOIPOMGKAITQL-LSDHHAIUSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418426817 251369025 /nfs/dbraw/zinc/36/90/25/251369025.db2.gz KIXKNTFCZPYWSP-RDJZCZTQSA-N 2 1 333.480 1.012 20 0 EDADMP O=C([C@@H]1CCCN(c2cc[nH+]c3ccsc32)C1)N1CC[NH2+]CC1 ZINC000420169207 251628696 /nfs/dbraw/zinc/62/86/96/251628696.db2.gz LVAXMZMAYQQPHH-CYBMUJFWSA-N 2 1 330.457 1.945 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cs1 ZINC000262766247 139302082 /nfs/dbraw/zinc/30/20/82/139302082.db2.gz ATUWSQUZTYYMES-SWLSCSKDSA-N 2 1 336.505 1.920 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262791063 139303923 /nfs/dbraw/zinc/30/39/23/139303923.db2.gz OGMSHLXNTUCUMD-HOTGVXAUSA-N 2 1 342.447 1.617 20 0 EDADMP CN1CCN(c2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccn2)CC1 ZINC000422878332 252007645 /nfs/dbraw/zinc/00/76/45/252007645.db2.gz IZKPRUOHNBDTPP-GUDVDZBRSA-N 2 1 343.519 1.844 20 0 EDADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1C ZINC000423169197 252040585 /nfs/dbraw/zinc/04/05/85/252040585.db2.gz VQCDDEDTJRAUQC-WTGUMLROSA-N 2 1 332.488 1.954 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423782802 252071770 /nfs/dbraw/zinc/07/17/70/252071770.db2.gz JHWDINKGKYOHQD-MPGHIAIKSA-N 2 1 347.459 1.418 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H](C[NH3+])OC)CC[N@H+]2C2CC2)c1 ZINC000423837874 252087352 /nfs/dbraw/zinc/08/73/52/252087352.db2.gz XHFUETUUOYDSKW-YESZJQIVSA-N 2 1 333.432 1.063 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000424051306 252126038 /nfs/dbraw/zinc/12/60/38/252126038.db2.gz IZUXLEPISFZCEU-UHFFFAOYSA-N 2 1 342.487 1.159 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)[C@H](C)[NH3+] ZINC000423791136 252075515 /nfs/dbraw/zinc/07/55/15/252075515.db2.gz GYDNUUWLQHMGBF-JQHSSLGASA-N 2 1 332.492 1.981 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423801508 252080886 /nfs/dbraw/zinc/08/08/86/252080886.db2.gz NDLIBIKQDPXRIX-HUUCEWRRSA-N 2 1 333.480 1.727 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424147261 252143102 /nfs/dbraw/zinc/14/31/02/252143102.db2.gz RCJFCSXVRUOZPR-JKSUJKDBSA-N 2 1 347.507 1.691 20 0 EDADMP C[N@@H+](CCOc1cccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])c1)C1CCOCC1 ZINC000424155627 252147424 /nfs/dbraw/zinc/14/74/24/252147424.db2.gz NDQKJAWMUHQIQJ-MSOLQXFVSA-N 2 1 347.459 1.140 20 0 EDADMP Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1NC(=O)C[NH+]1CCCCC1 ZINC000424155173 252147874 /nfs/dbraw/zinc/14/78/74/252147874.db2.gz MHQRHBADOHYDNV-CABCVRRESA-N 2 1 330.432 1.705 20 0 EDADMP CSCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424218198 252164840 /nfs/dbraw/zinc/16/48/40/252164840.db2.gz RIBNMDCTVOHANO-GVDBMIGSSA-N 2 1 333.501 1.800 20 0 EDADMP C[N@@H+](CCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C1CCCCC1 ZINC000424126068 252132558 /nfs/dbraw/zinc/13/25/58/252132558.db2.gz BCZZUPBIEKZMML-MRXNPFEDSA-N 2 1 348.495 1.587 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@H]1C ZINC000424463573 252238018 /nfs/dbraw/zinc/23/80/18/252238018.db2.gz HRWSXKKLXIHXBT-ZIAGYGMSSA-N 2 1 332.448 1.333 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@H]1C ZINC000424463573 252238023 /nfs/dbraw/zinc/23/80/23/252238023.db2.gz HRWSXKKLXIHXBT-ZIAGYGMSSA-N 2 1 332.448 1.333 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000424439980 252231021 /nfs/dbraw/zinc/23/10/21/252231021.db2.gz PNVBSQHDIYBUIE-HUUCEWRRSA-N 2 1 346.475 1.771 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424449941 252237239 /nfs/dbraw/zinc/23/72/39/252237239.db2.gz UYDGGFUIPWGZRT-CQSZACIVSA-N 2 1 332.448 1.335 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000426210185 252325227 /nfs/dbraw/zinc/32/52/27/252325227.db2.gz LBVGRJZKHNOLLO-YQQAZPJKSA-N 2 1 338.496 1.364 20 0 EDADMP COCCN1CCC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358046391 285012180 /nfs/dbraw/zinc/01/21/80/285012180.db2.gz ZFSWRQIXROYBOM-CALCHBBNSA-N 2 1 327.513 1.576 20 0 EDADMP COCC[NH+]1CCC([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358046391 285012181 /nfs/dbraw/zinc/01/21/81/285012181.db2.gz ZFSWRQIXROYBOM-CALCHBBNSA-N 3 1 327.513 1.576 20 0 EDADMP COCC[NH+]1CCC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358046391 285012182 /nfs/dbraw/zinc/01/21/82/285012182.db2.gz ZFSWRQIXROYBOM-CALCHBBNSA-N 3 1 327.513 1.576 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112274069 220280485 /nfs/dbraw/zinc/28/04/85/220280485.db2.gz QWTSEJKPSULZLD-INIZCTEOSA-N 2 1 345.491 1.438 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)N1CCOCC1 ZINC000487056442 255024099 /nfs/dbraw/zinc/02/40/99/255024099.db2.gz ITBZZZLCTGHIDU-IRXDYDNUSA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000487056442 255024103 /nfs/dbraw/zinc/02/41/03/255024103.db2.gz ITBZZZLCTGHIDU-IRXDYDNUSA-N 2 1 340.512 1.325 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1c(C)n[nH]c1C ZINC000337578499 285243697 /nfs/dbraw/zinc/24/36/97/285243697.db2.gz LENUQFOMEIJFQA-QGZVFWFLSA-N 2 1 349.523 1.834 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000153989313 224186830 /nfs/dbraw/zinc/18/68/30/224186830.db2.gz UJBZSWUGOGMPSH-QGZVFWFLSA-N 2 1 336.480 1.833 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000337452079 285247918 /nfs/dbraw/zinc/24/79/18/285247918.db2.gz UNTWKILZMZHRNC-QBPKDAKJSA-N 2 1 325.497 1.674 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCC[NH+]1C ZINC000264981751 285252592 /nfs/dbraw/zinc/25/25/92/285252592.db2.gz LNWKNWBKZGTZJA-QZTJIDSGSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000264981751 285252593 /nfs/dbraw/zinc/25/25/93/285252593.db2.gz LNWKNWBKZGTZJA-QZTJIDSGSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCC[N@H+]1C ZINC000264981751 285252595 /nfs/dbraw/zinc/25/25/95/285252595.db2.gz LNWKNWBKZGTZJA-QZTJIDSGSA-N 2 1 330.476 1.989 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000494663218 255256991 /nfs/dbraw/zinc/25/69/91/255256991.db2.gz FCIAXXUBSRZNPK-BBWFWOEESA-N 2 1 325.497 1.772 20 0 EDADMP O=C(C[N@@H+]1CCC[C@@H](OCC2CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000494686973 255257754 /nfs/dbraw/zinc/25/77/54/255257754.db2.gz AYHIAXGQYVJEKA-GOSISDBHSA-N 2 1 335.492 1.620 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H](OCC2CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000494686973 255257755 /nfs/dbraw/zinc/25/77/55/255257755.db2.gz AYHIAXGQYVJEKA-GOSISDBHSA-N 2 1 335.492 1.620 20 0 EDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496348123 255384590 /nfs/dbraw/zinc/38/45/90/255384590.db2.gz QFUNVQNBZXBMPI-HUUCEWRRSA-N 2 1 329.485 1.536 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496348123 255384591 /nfs/dbraw/zinc/38/45/91/255384591.db2.gz QFUNVQNBZXBMPI-HUUCEWRRSA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496348123 255384592 /nfs/dbraw/zinc/38/45/92/255384592.db2.gz QFUNVQNBZXBMPI-HUUCEWRRSA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496348123 255384593 /nfs/dbraw/zinc/38/45/93/255384593.db2.gz QFUNVQNBZXBMPI-HUUCEWRRSA-N 2 1 329.485 1.536 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CC[C@@H]([C@H]3CCOC3)C1)C[NH+]1CCC2CC1 ZINC000496278062 255374068 /nfs/dbraw/zinc/37/40/68/255374068.db2.gz WSJMQTVUCOBDBL-RVKKMQEKSA-N 2 1 335.448 1.219 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C(F)(F)F ZINC000344637540 285278429 /nfs/dbraw/zinc/27/84/29/285278429.db2.gz YTXVOOCXWUVWQA-OLZOCXBDSA-N 2 1 338.418 1.995 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000269290012 285322138 /nfs/dbraw/zinc/32/21/38/285322138.db2.gz KQTSAHRPUPFZTD-SJLPKXTDSA-N 2 1 332.492 1.119 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000264257168 139390920 /nfs/dbraw/zinc/39/09/20/139390920.db2.gz LBQZKIZZZFXYNK-SFHVURJKSA-N 2 1 330.476 1.780 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](CCOC)[C@H](C)C2)c1 ZINC000415907046 304284890 /nfs/dbraw/zinc/28/48/90/304284890.db2.gz MESJEJLMRJROEJ-OAHLLOKOSA-N 2 1 334.464 1.981 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)c1 ZINC000415907046 304284891 /nfs/dbraw/zinc/28/48/91/304284891.db2.gz MESJEJLMRJROEJ-OAHLLOKOSA-N 2 1 334.464 1.981 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000415931693 304286304 /nfs/dbraw/zinc/28/63/04/304286304.db2.gz LFJHQPOIYKSPSV-UHFFFAOYSA-N 2 1 347.463 1.082 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000271141275 140244578 /nfs/dbraw/zinc/24/45/78/140244578.db2.gz VIFTZYLMCYOKFC-QAPCUYQASA-N 2 1 348.491 1.113 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416303568 304307290 /nfs/dbraw/zinc/30/72/90/304307290.db2.gz YAGGQDOPTOXVBS-DLBZAZTESA-N 2 1 327.513 1.802 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000331342846 141009562 /nfs/dbraw/zinc/00/95/62/141009562.db2.gz KUNLHATZUQUHIE-STQMWFEESA-N 2 1 345.896 1.950 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N3CCC[C@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000332106479 141124259 /nfs/dbraw/zinc/12/42/59/141124259.db2.gz DVUSKIJHDVSKHB-HNNXBMFYSA-N 2 1 332.452 1.195 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000332110752 141124869 /nfs/dbraw/zinc/12/48/69/141124869.db2.gz VWWJCFJCXLSLAU-IPYPFGDCSA-N 2 1 336.505 1.873 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000332110752 141124870 /nfs/dbraw/zinc/12/48/70/141124870.db2.gz VWWJCFJCXLSLAU-IPYPFGDCSA-N 2 1 336.505 1.873 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCOCC1 ZINC000333047958 141255297 /nfs/dbraw/zinc/25/52/97/141255297.db2.gz BCPYCCUKMHDSIZ-NPYXIHBLSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCOCC1 ZINC000333047958 141255299 /nfs/dbraw/zinc/25/52/99/141255299.db2.gz BCPYCCUKMHDSIZ-NPYXIHBLSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)C1=CC[N@@H+](C)CC1 ZINC000333247438 141287400 /nfs/dbraw/zinc/28/74/00/141287400.db2.gz BXKVEFIPUDFPPT-WFASDCNBSA-N 2 1 329.448 1.670 20 0 EDADMP C[C@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C1=CC[N@@H+](C)CC1 ZINC000333247437 141287461 /nfs/dbraw/zinc/28/74/61/141287461.db2.gz BXKVEFIPUDFPPT-SWLSCSKDSA-N 2 1 329.448 1.670 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000333321982 141299213 /nfs/dbraw/zinc/29/92/13/141299213.db2.gz NCNAUHBXFMROKJ-GDBMZVCRSA-N 2 1 331.464 1.846 20 0 EDADMP C[C@@H]1CC2(C[N@@H+]1Cc1nnnn1CC1CCOCC1)CC[NH2+]CC2 ZINC000333549832 141335303 /nfs/dbraw/zinc/33/53/03/141335303.db2.gz JHXWONVMMJQYFO-CQSZACIVSA-N 2 1 334.468 1.064 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1Cc1nnnn1CC1CCOCC1)CC[NH2+]CC2 ZINC000333549832 141335304 /nfs/dbraw/zinc/33/53/04/141335304.db2.gz JHXWONVMMJQYFO-CQSZACIVSA-N 2 1 334.468 1.064 20 0 EDADMP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1CC[NH2+]CC1(F)F ZINC000333561336 141337222 /nfs/dbraw/zinc/33/72/22/141337222.db2.gz LJXMRAIIPMZEQO-SNVBAGLBSA-N 2 1 330.404 1.793 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000333634358 141348094 /nfs/dbraw/zinc/34/80/94/141348094.db2.gz SYRAAIUMJGOAOW-IRXDYDNUSA-N 2 1 338.496 1.272 20 0 EDADMP COCC1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC[NH2+]CC1 ZINC000333850354 141394125 /nfs/dbraw/zinc/39/41/25/141394125.db2.gz PXQUXZUKVBFSLK-CVEARBPZSA-N 2 1 338.496 1.128 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000339753754 142145684 /nfs/dbraw/zinc/14/56/84/142145684.db2.gz NVGXWWIDOWVHGZ-INIZCTEOSA-N 2 1 340.512 1.071 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000339938246 142205764 /nfs/dbraw/zinc/20/57/64/142205764.db2.gz TZLSPTSTXGJLPK-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000339938246 142205766 /nfs/dbraw/zinc/20/57/66/142205766.db2.gz TZLSPTSTXGJLPK-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000340120085 142272034 /nfs/dbraw/zinc/27/20/34/142272034.db2.gz QIZIDBWEVQEZHQ-WMZOPIPTSA-N 2 1 345.491 1.085 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1)C(C)C ZINC000340213117 142305731 /nfs/dbraw/zinc/30/57/31/142305731.db2.gz SZAACQCROZMBLE-INIZCTEOSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+]1CCN(c2ccccc2)CC1 ZINC000345698405 143122779 /nfs/dbraw/zinc/12/27/79/143122779.db2.gz SKBOQMZVHOOZMB-UKRRQHHQSA-N 2 1 340.418 1.296 20 0 EDADMP [NH3+][C@H](CC(F)F)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000345732902 143126962 /nfs/dbraw/zinc/12/69/62/143126962.db2.gz NAKAOTDDWKZBQC-SNVBAGLBSA-N 2 1 347.328 1.082 20 0 EDADMP C[C@@H](C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)[N@@H+]1CCc2ccccc2C1 ZINC000346104566 143168094 /nfs/dbraw/zinc/16/80/94/143168094.db2.gz PTNTWKKHPLGBGY-HNAYVOBHSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@@H](C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)[N@H+]1CCc2ccccc2C1 ZINC000346104566 143168095 /nfs/dbraw/zinc/16/80/95/143168095.db2.gz PTNTWKKHPLGBGY-HNAYVOBHSA-N 2 1 327.472 1.986 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000346222072 143180387 /nfs/dbraw/zinc/18/03/87/143180387.db2.gz OPDOEALPUZNOTD-SFHVURJKSA-N 2 1 346.475 1.271 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000346222072 143180388 /nfs/dbraw/zinc/18/03/88/143180388.db2.gz OPDOEALPUZNOTD-SFHVURJKSA-N 2 1 346.475 1.271 20 0 EDADMP CCC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)CC(C)C ZINC000346597835 143220637 /nfs/dbraw/zinc/22/06/37/143220637.db2.gz WUBGHUYOYYYWDR-KRWDZBQOSA-N 2 1 327.513 1.827 20 0 EDADMP CCC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CC(C)C ZINC000346597835 143220638 /nfs/dbraw/zinc/22/06/38/143220638.db2.gz WUBGHUYOYYYWDR-KRWDZBQOSA-N 2 1 327.513 1.827 20 0 EDADMP CCC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)CC(C)C ZINC000346597835 143220639 /nfs/dbraw/zinc/22/06/39/143220639.db2.gz WUBGHUYOYYYWDR-KRWDZBQOSA-N 2 1 327.513 1.827 20 0 EDADMP CCCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000347092855 143281778 /nfs/dbraw/zinc/28/17/78/143281778.db2.gz GHGQWIBBCLVHNK-MRXNPFEDSA-N 2 1 349.475 1.771 20 0 EDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)nn(CC(=O)OC(C)C)c2C)C1 ZINC000347224810 143297161 /nfs/dbraw/zinc/29/71/61/143297161.db2.gz VNDLCMWOPWWCHH-MRXNPFEDSA-N 2 1 336.480 1.883 20 0 EDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)nn(CC(=O)OC(C)C)c2C)C1 ZINC000347224810 143297162 /nfs/dbraw/zinc/29/71/62/143297162.db2.gz VNDLCMWOPWWCHH-MRXNPFEDSA-N 2 1 336.480 1.883 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCCCCn2cc[nH+]c2C)[N@H+](C)C1 ZINC000347516505 143331227 /nfs/dbraw/zinc/33/12/27/143331227.db2.gz OVHRZEXDHQSDRQ-HZPDHXFCSA-N 2 1 337.468 1.332 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCCCCn2cc[nH+]c2C)[N@@H+](C)C1 ZINC000347516505 143331228 /nfs/dbraw/zinc/33/12/28/143331228.db2.gz OVHRZEXDHQSDRQ-HZPDHXFCSA-N 2 1 337.468 1.332 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CCCC[NH+]1CCOCC1 ZINC000347539402 143332838 /nfs/dbraw/zinc/33/28/38/143332838.db2.gz KSLNTGJYOCNUNU-CALCHBBNSA-N 2 1 325.497 1.868 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CCCC[NH+]1CCOCC1 ZINC000347539402 143332839 /nfs/dbraw/zinc/33/28/39/143332839.db2.gz KSLNTGJYOCNUNU-CALCHBBNSA-N 2 1 325.497 1.868 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000347646174 143345044 /nfs/dbraw/zinc/34/50/44/143345044.db2.gz OCHNVGSCBYAFKB-GOSISDBHSA-N 2 1 331.460 1.872 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000347646174 143345045 /nfs/dbraw/zinc/34/50/45/143345045.db2.gz OCHNVGSCBYAFKB-GOSISDBHSA-N 2 1 331.460 1.872 20 0 EDADMP O=C(NCC1CC[NH+](C2CC2)CC1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369721618 155148542 /nfs/dbraw/zinc/14/85/42/155148542.db2.gz FZQKLDPBLDOUBA-QXAKKESOSA-N 2 1 346.519 1.987 20 0 EDADMP [NH3+]CCC[C@@H](NC(=O)NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000416786174 304349256 /nfs/dbraw/zinc/34/92/56/304349256.db2.gz CDHRZBOQHVRTNR-QGZVFWFLSA-N 2 1 334.464 1.488 20 0 EDADMP CCC[NH+]1CCC(N2CC[NH+](CCC(=O)OC(C)C)CC2)CC1 ZINC000369826657 155193469 /nfs/dbraw/zinc/19/34/69/155193469.db2.gz YYPWPGKKHROEJG-UHFFFAOYSA-N 2 1 325.497 1.820 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH+](C)C)[C@@H](C)C1 ZINC000458412824 286058631 /nfs/dbraw/zinc/05/86/31/286058631.db2.gz OPBZJCQEQGJQQH-JKSUJKDBSA-N 2 1 342.528 1.763 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N1CCCC[C@H]1C[NH3+])[NH+](C)C ZINC000416859222 304352446 /nfs/dbraw/zinc/35/24/46/304352446.db2.gz ZSFHOCLSJHPUCY-GOEBONIOSA-N 2 1 334.464 1.821 20 0 EDADMP CC[NH+]1CCN(CCOCCN2CC[N@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000352657364 149103178 /nfs/dbraw/zinc/10/31/78/149103178.db2.gz ABDRTVABISPOOQ-HDICACEKSA-N 2 1 326.529 1.055 20 0 EDADMP CC[NH+]1CCN(CCOCCN2CC[N@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000352657364 149103181 /nfs/dbraw/zinc/10/31/81/149103181.db2.gz ABDRTVABISPOOQ-HDICACEKSA-N 2 1 326.529 1.055 20 0 EDADMP CC[NH+]1CCN(CCOCCN2CC[N@@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000352657364 149103185 /nfs/dbraw/zinc/10/31/85/149103185.db2.gz ABDRTVABISPOOQ-HDICACEKSA-N 2 1 326.529 1.055 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000416973681 304358578 /nfs/dbraw/zinc/35/85/78/304358578.db2.gz KAXHHIYABHHOCD-KRWDZBQOSA-N 2 1 333.480 1.012 20 0 EDADMP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000417034205 304363728 /nfs/dbraw/zinc/36/37/28/304363728.db2.gz DUSSYIPDWGGHTI-RHSMWYFYSA-N 2 1 349.454 1.079 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417046922 304366295 /nfs/dbraw/zinc/36/62/95/304366295.db2.gz UGCYZXTVQSZBLM-IRXDYDNUSA-N 2 1 345.491 1.330 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000357404889 151020883 /nfs/dbraw/zinc/02/08/83/151020883.db2.gz AHJYLNWXWBIAND-HOCLYGCPSA-N 2 1 331.464 1.046 20 0 EDADMP CSC1(CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC[NH+](C)CC1 ZINC000357957942 151210442 /nfs/dbraw/zinc/21/04/42/151210442.db2.gz MTZQHSFEGDBVAC-ZDUSSCGKSA-N 2 1 328.526 1.596 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000358066515 151255931 /nfs/dbraw/zinc/25/59/31/151255931.db2.gz OBMOZKGLPYSAAW-GOSISDBHSA-N 2 1 349.500 1.032 20 0 EDADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358162341 151292097 /nfs/dbraw/zinc/29/20/97/151292097.db2.gz HGTWLNJXBBNZHH-SFHVURJKSA-N 2 1 348.399 1.384 20 0 EDADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358162341 151292102 /nfs/dbraw/zinc/29/21/02/151292102.db2.gz HGTWLNJXBBNZHH-SFHVURJKSA-N 2 1 348.399 1.384 20 0 EDADMP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000417076209 304370475 /nfs/dbraw/zinc/37/04/75/304370475.db2.gz JZKSNPJIDXLPLU-XLAORIBOSA-N 2 1 328.460 1.668 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCSC1 ZINC000360396003 152020377 /nfs/dbraw/zinc/02/03/77/152020377.db2.gz KTCVBHULQJRQIL-LZWOXQAQSA-N 2 1 326.510 1.350 20 0 EDADMP O=C(N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1(N2CCOCC2)CCC1 ZINC000360551025 152091355 /nfs/dbraw/zinc/09/13/55/152091355.db2.gz RFBYTBBWNKIXRR-FUHWJXTLSA-N 2 1 347.503 1.717 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360745766 152181932 /nfs/dbraw/zinc/18/19/32/152181932.db2.gz NDJDNXYILYIISI-WBVHZDCISA-N 2 1 342.553 1.940 20 0 EDADMP CC(C)[NH+]1CCC(N2CCN(CC[N@H+]3CCCOCC3)CC2)CC1 ZINC000361328735 152362770 /nfs/dbraw/zinc/36/27/70/152362770.db2.gz QCUIWHMWPHBJMT-UHFFFAOYSA-N 2 1 338.540 1.199 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3C(N)=O)C2)CC[N@@H+]1C ZINC000363788064 153056710 /nfs/dbraw/zinc/05/67/10/153056710.db2.gz VYCJRZDQNNTRJQ-BZUAXINKSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3C(N)=O)C2)CC[N@H+]1C ZINC000363788064 153056713 /nfs/dbraw/zinc/05/67/13/153056713.db2.gz VYCJRZDQNNTRJQ-BZUAXINKSA-N 2 1 330.476 1.827 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cnccn1 ZINC000364184222 153166389 /nfs/dbraw/zinc/16/63/89/153166389.db2.gz RXNIIUWXIYVPDI-UHFFFAOYSA-N 2 1 345.491 1.745 20 0 EDADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(-c4ccco4)on3)C2)CC1 ZINC000364206218 153173146 /nfs/dbraw/zinc/17/31/46/153173146.db2.gz JXOSQVXUDPCHKW-ZDUSSCGKSA-N 2 1 344.415 1.833 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cc(-c4ccco4)on3)C2)CC1 ZINC000364206218 153173147 /nfs/dbraw/zinc/17/31/47/153173147.db2.gz JXOSQVXUDPCHKW-ZDUSSCGKSA-N 2 1 344.415 1.833 20 0 EDADMP CC1CCN(C(=O)C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000364350008 153213177 /nfs/dbraw/zinc/21/31/77/153213177.db2.gz ZYJGQKGGCWDIHT-RCCFBDPRSA-N 2 1 337.508 1.724 20 0 EDADMP CC1CCN(C(=O)C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000364350008 153213179 /nfs/dbraw/zinc/21/31/79/153213179.db2.gz ZYJGQKGGCWDIHT-RCCFBDPRSA-N 2 1 337.508 1.724 20 0 EDADMP CCCC[N@@H+](CCOC)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000364357635 153215153 /nfs/dbraw/zinc/21/51/53/153215153.db2.gz JIBWXOCPTJDQJH-KRWDZBQOSA-N 2 1 343.512 1.208 20 0 EDADMP CCCC[NH+](CCOC)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000364357635 153215156 /nfs/dbraw/zinc/21/51/56/153215156.db2.gz JIBWXOCPTJDQJH-KRWDZBQOSA-N 2 1 343.512 1.208 20 0 EDADMP CCOC(=O)[C@@H](CC)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364661733 153297571 /nfs/dbraw/zinc/29/75/71/153297571.db2.gz WXTSAOVAWCUFOU-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP COC1(C[C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CCC1 ZINC000365345780 153490158 /nfs/dbraw/zinc/49/01/58/153490158.db2.gz PGECIRCCYLGWIK-DLBZAZTESA-N 2 1 325.497 1.330 20 0 EDADMP COC[C@@]1(CNC(=O)NCC[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000417233101 304386585 /nfs/dbraw/zinc/38/65/85/304386585.db2.gz RKGUEUMIWGMOAW-SFHVURJKSA-N 2 1 334.464 1.186 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCC[C@@H]21 ZINC000367619231 154201673 /nfs/dbraw/zinc/20/16/73/154201673.db2.gz VGUCAVSKMMFXLB-IKGGRYGDSA-N 2 1 337.489 1.339 20 0 EDADMP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000367948371 154338988 /nfs/dbraw/zinc/33/89/88/154338988.db2.gz SFHZWKUGABMQEZ-ZBFHGGJFSA-N 2 1 331.464 1.845 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000367948371 154338991 /nfs/dbraw/zinc/33/89/91/154338991.db2.gz SFHZWKUGABMQEZ-ZBFHGGJFSA-N 2 1 331.464 1.845 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000417345135 304393209 /nfs/dbraw/zinc/39/32/09/304393209.db2.gz UAOUGJRQBPAGKF-JXFKEZNVSA-N 2 1 342.487 1.828 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000417373673 304395133 /nfs/dbraw/zinc/39/51/33/304395133.db2.gz XOHMEQXVJMCICJ-LBPRGKRZSA-N 2 1 346.447 1.853 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000417373673 304395134 /nfs/dbraw/zinc/39/51/34/304395134.db2.gz XOHMEQXVJMCICJ-LBPRGKRZSA-N 2 1 346.447 1.853 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+](C)C ZINC000369501804 155061134 /nfs/dbraw/zinc/06/11/34/155061134.db2.gz URKDFTZUHIOYSJ-ZWKOTPCHSA-N 2 1 348.491 1.218 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000369561891 155088082 /nfs/dbraw/zinc/08/80/82/155088082.db2.gz QCBLATYAFJEEBK-UAGQMJEPSA-N 2 1 331.464 1.506 20 0 EDADMP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371704357 156068646 /nfs/dbraw/zinc/06/86/46/156068646.db2.gz VNTMUBITRICLDJ-QZTJIDSGSA-N 2 1 339.524 1.924 20 0 EDADMP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371704357 156068648 /nfs/dbraw/zinc/06/86/48/156068648.db2.gz VNTMUBITRICLDJ-QZTJIDSGSA-N 2 1 339.524 1.924 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)CC1 ZINC000371950760 156179447 /nfs/dbraw/zinc/17/94/47/156179447.db2.gz OEDAWGPLKJAGRU-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000371950760 156179450 /nfs/dbraw/zinc/17/94/50/156179450.db2.gz OEDAWGPLKJAGRU-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000371950760 156179451 /nfs/dbraw/zinc/17/94/51/156179451.db2.gz OEDAWGPLKJAGRU-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000372248432 156286634 /nfs/dbraw/zinc/28/66/34/156286634.db2.gz HOTXNWAILPZENI-IRXDYDNUSA-N 2 1 337.508 1.678 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000372248432 156286635 /nfs/dbraw/zinc/28/66/35/156286635.db2.gz HOTXNWAILPZENI-IRXDYDNUSA-N 2 1 337.508 1.678 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000372305393 156323698 /nfs/dbraw/zinc/32/36/98/156323698.db2.gz PWGPSPBLDOJQKZ-KRWDZBQOSA-N 2 1 340.512 1.328 20 0 EDADMP [NH3+]CCCCCCC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000374021927 157111160 /nfs/dbraw/zinc/11/11/60/157111160.db2.gz KCYGHFOHKMHPPC-UHFFFAOYSA-N 2 1 338.496 1.099 20 0 EDADMP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1(C)C ZINC000374213062 157196751 /nfs/dbraw/zinc/19/67/51/157196751.db2.gz VKXUVVDPQFNCOB-SFHVURJKSA-N 2 1 344.503 1.403 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1(C)C ZINC000374213062 157196753 /nfs/dbraw/zinc/19/67/53/157196753.db2.gz VKXUVVDPQFNCOB-SFHVURJKSA-N 2 1 344.503 1.403 20 0 EDADMP C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1(C)C ZINC000374213062 157196758 /nfs/dbraw/zinc/19/67/58/157196758.db2.gz VKXUVVDPQFNCOB-SFHVURJKSA-N 2 1 344.503 1.403 20 0 EDADMP C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1(C)C ZINC000374213062 157196760 /nfs/dbraw/zinc/19/67/60/157196760.db2.gz VKXUVVDPQFNCOB-SFHVURJKSA-N 2 1 344.503 1.403 20 0 EDADMP Fc1ccc(-c2n[nH]cc2C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352526573 162230843 /nfs/dbraw/zinc/23/08/43/162230843.db2.gz PENWIVQYBPFKQX-KRWDZBQOSA-N 2 1 329.423 1.695 20 0 EDADMP COc1ccncc1CNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000366314985 162376492 /nfs/dbraw/zinc/37/64/92/162376492.db2.gz RNHINFDFADFBAK-HNNXBMFYSA-N 2 1 347.463 1.058 20 0 EDADMP COc1ccncc1CNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000366314985 162376495 /nfs/dbraw/zinc/37/64/95/162376495.db2.gz RNHINFDFADFBAK-HNNXBMFYSA-N 2 1 347.463 1.058 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)CC1 ZINC000366453437 162383472 /nfs/dbraw/zinc/38/34/72/162383472.db2.gz AUTVMKLPTAJJSW-QGZVFWFLSA-N 2 1 336.524 1.489 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000366453437 162383480 /nfs/dbraw/zinc/38/34/80/162383480.db2.gz AUTVMKLPTAJJSW-QGZVFWFLSA-N 2 1 336.524 1.489 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)CC1 ZINC000366453437 162383485 /nfs/dbraw/zinc/38/34/85/162383485.db2.gz AUTVMKLPTAJJSW-QGZVFWFLSA-N 2 1 336.524 1.489 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000073618785 287262202 /nfs/dbraw/zinc/26/22/02/287262202.db2.gz OWBWQUUBAVYDGF-KRWDZBQOSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000074109231 287267440 /nfs/dbraw/zinc/26/74/40/287267440.db2.gz QXOSPHBOPJFUHY-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)CN1CC[NH+](C)CC1 ZINC000074109231 287267442 /nfs/dbraw/zinc/26/74/42/287267442.db2.gz QXOSPHBOPJFUHY-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)CN1CC[NH+](C)CC1 ZINC000074109231 287267443 /nfs/dbraw/zinc/26/74/43/287267443.db2.gz QXOSPHBOPJFUHY-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H](CN1CCOCC1)NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000078500141 287293630 /nfs/dbraw/zinc/29/36/30/287293630.db2.gz VIWQUAAGSXJGJL-KBPBESRZSA-N 2 1 340.493 1.371 20 0 EDADMP O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@H]1CSC[NH2+]1 ZINC000168092952 226208339 /nfs/dbraw/zinc/20/83/39/226208339.db2.gz ZUMIBDIRBPLVPY-SJORKVTESA-N 2 1 349.500 1.211 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@H](C(C)(C)C)C1 ZINC000665762847 452339936 /nfs/dbraw/zinc/33/99/36/452339936.db2.gz ROHZVBIBIIDUHD-HOTGVXAUSA-N 2 1 342.528 1.715 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@H](C(C)(C)C)C1 ZINC000665762847 452339942 /nfs/dbraw/zinc/33/99/42/452339942.db2.gz ROHZVBIBIIDUHD-HOTGVXAUSA-N 2 1 342.528 1.715 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275438607 268342403 /nfs/dbraw/zinc/34/24/03/268342403.db2.gz FSVPCHRTCXXIGX-HNNXBMFYSA-N 2 1 342.443 1.702 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275702859 268370238 /nfs/dbraw/zinc/37/02/38/268370238.db2.gz SVWMATLYSIZTLF-KRWDZBQOSA-N 2 1 348.491 1.711 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000274195376 273076730 /nfs/dbraw/zinc/07/67/30/273076730.db2.gz PIIICVWGHADSAC-YJBOKZPZSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000274195376 273076731 /nfs/dbraw/zinc/07/67/31/273076731.db2.gz PIIICVWGHADSAC-YJBOKZPZSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[N@@H+](C)C1CC1 ZINC000274195376 273076732 /nfs/dbraw/zinc/07/67/32/273076732.db2.gz PIIICVWGHADSAC-YJBOKZPZSA-N 2 1 330.476 1.900 20 0 EDADMP CCC1(O)CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000274556105 273096407 /nfs/dbraw/zinc/09/64/07/273096407.db2.gz BDSNZNWVXUXZCT-KRWDZBQOSA-N 2 1 333.476 1.642 20 0 EDADMP CN1CCN(C(=O)CC[N@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC000275239516 273108820 /nfs/dbraw/zinc/10/88/20/273108820.db2.gz MWLAYXRCIJOHAX-KRWDZBQOSA-N 2 1 333.501 1.941 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC000275239516 273108824 /nfs/dbraw/zinc/10/88/24/273108824.db2.gz MWLAYXRCIJOHAX-KRWDZBQOSA-N 2 1 333.501 1.941 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@](C)(O)CC1)c1ccccc1 ZINC000280163558 273346709 /nfs/dbraw/zinc/34/67/09/273346709.db2.gz SESNOWMYXDQOKB-PKOBYXMFSA-N 2 1 333.476 1.642 20 0 EDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000361227278 273798062 /nfs/dbraw/zinc/79/80/62/273798062.db2.gz FPTNADMNIBZDJW-CABCVRRESA-N 2 1 327.266 1.819 20 0 EDADMP O=C1[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000359293444 275030601 /nfs/dbraw/zinc/03/06/01/275030601.db2.gz VDVCKMULLFLPOQ-LALPHHSUSA-N 2 1 339.361 1.962 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)[C@H]2CCOC2)[C@H](C)C1 ZINC000658074031 452716389 /nfs/dbraw/zinc/71/63/89/452716389.db2.gz BSUGYEWVSNJMAM-OWSLCNJRSA-N 2 1 328.497 1.765 20 0 EDADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000422797620 275746248 /nfs/dbraw/zinc/74/62/48/275746248.db2.gz NQOSSLUEAHRVKD-QAPCUYQASA-N 2 1 332.492 1.562 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N(C)C[C@@H]1C[C@@H](OC)C[NH+]1C)c1ccccc1 ZINC000346702894 276077334 /nfs/dbraw/zinc/07/73/34/276077334.db2.gz VHPSSEYIRXRTON-KSZLIROESA-N 2 1 333.476 1.857 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N(C)C[C@@H]1C[C@@H](OC)C[NH+]1C)c1ccccc1 ZINC000346702894 276077335 /nfs/dbraw/zinc/07/73/35/276077335.db2.gz VHPSSEYIRXRTON-KSZLIROESA-N 2 1 333.476 1.857 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N(C)C[C@@H]1C[C@@H](OC)C[N@@H+]1C)c1ccccc1 ZINC000346702894 276077336 /nfs/dbraw/zinc/07/73/36/276077336.db2.gz VHPSSEYIRXRTON-KSZLIROESA-N 2 1 333.476 1.857 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N(C)C[C@@H]1C[C@@H](OC)C[N@H+]1C)c1ccccc1 ZINC000346702894 276077337 /nfs/dbraw/zinc/07/73/37/276077337.db2.gz VHPSSEYIRXRTON-KSZLIROESA-N 2 1 333.476 1.857 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)[C@H](C)C1 ZINC000336857304 276225504 /nfs/dbraw/zinc/22/55/04/276225504.db2.gz RKVHUEGBMHBCEK-OAGGEKHMSA-N 2 1 331.526 1.320 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)[C@H](C)C1 ZINC000336857304 276225505 /nfs/dbraw/zinc/22/55/05/276225505.db2.gz RKVHUEGBMHBCEK-OAGGEKHMSA-N 2 1 331.526 1.320 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)[C@H](C)C1 ZINC000336857304 276225506 /nfs/dbraw/zinc/22/55/06/276225506.db2.gz RKVHUEGBMHBCEK-OAGGEKHMSA-N 2 1 331.526 1.320 20 0 EDADMP CCC[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000305720828 276282166 /nfs/dbraw/zinc/28/21/66/276282166.db2.gz PDNZQHWFFNTXDD-KZNAEPCWSA-N 2 1 333.476 1.468 20 0 EDADMP CCOC1CC(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)C1 ZINC000375685413 276309532 /nfs/dbraw/zinc/30/95/32/276309532.db2.gz QBVBUPOVXCUHEA-CPFNUKBASA-N 2 1 325.497 1.138 20 0 EDADMP CCOC1CC(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)C1 ZINC000375685413 276309534 /nfs/dbraw/zinc/30/95/34/276309534.db2.gz QBVBUPOVXCUHEA-CPFNUKBASA-N 2 1 325.497 1.138 20 0 EDADMP CCOC1CC(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)C1 ZINC000375685413 276309535 /nfs/dbraw/zinc/30/95/35/276309535.db2.gz QBVBUPOVXCUHEA-CPFNUKBASA-N 2 1 325.497 1.138 20 0 EDADMP CCOC1CC(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)C1 ZINC000375685413 276309537 /nfs/dbraw/zinc/30/95/37/276309537.db2.gz QBVBUPOVXCUHEA-CPFNUKBASA-N 2 1 325.497 1.138 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(C)nn3C2)[C@@H](C)C1 ZINC000361024446 276316174 /nfs/dbraw/zinc/31/61/74/276316174.db2.gz YKMSMJKPXXNNSV-XIRDDKMYSA-N 2 1 335.496 1.628 20 0 EDADMP COC(=O)[C@H](C)C[NH+]1CCC2(CC[N@H+](C[C@H](C)C(=O)OC)C2)CC1 ZINC000367001971 277116346 /nfs/dbraw/zinc/11/63/46/277116346.db2.gz IIODMKIUWRPKBV-CABCVRRESA-N 2 1 340.464 1.393 20 0 EDADMP COC1(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC[NH2+]CC1 ZINC000166449925 277179753 /nfs/dbraw/zinc/17/97/53/277179753.db2.gz YPICGSHEVXLCOC-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000353175635 277975944 /nfs/dbraw/zinc/97/59/44/277975944.db2.gz XAVQLWKOPKARQL-DLBZAZTESA-N 2 1 337.508 1.772 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000417873900 278019973 /nfs/dbraw/zinc/01/99/73/278019973.db2.gz MJDRQRJNDTXFAG-OWYHZJEWSA-N 2 1 342.487 1.900 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@@H](C)O1 ZINC000333385688 288066824 /nfs/dbraw/zinc/06/68/24/288066824.db2.gz OAQHWTJJLOHKIZ-IIDMSEBBSA-N 2 1 340.512 1.563 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496116955 279038166 /nfs/dbraw/zinc/03/81/66/279038166.db2.gz AHHSKCGXPPLAFU-HRCADAONSA-N 2 1 343.512 1.924 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000333788560 279187260 /nfs/dbraw/zinc/18/72/60/279187260.db2.gz VXDMSFSTFMTYNF-AWEZNQCLSA-N 2 1 330.436 1.389 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000333788560 279187263 /nfs/dbraw/zinc/18/72/63/279187263.db2.gz VXDMSFSTFMTYNF-AWEZNQCLSA-N 2 1 330.436 1.389 20 0 EDADMP C[C@H](C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000357246518 279223000 /nfs/dbraw/zinc/22/30/00/279223000.db2.gz XSVKAEOOHUEYGM-LPHOPBHVSA-N 2 1 344.503 1.337 20 0 EDADMP C[C@H](C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000357246518 279223002 /nfs/dbraw/zinc/22/30/02/279223002.db2.gz XSVKAEOOHUEYGM-LPHOPBHVSA-N 2 1 344.503 1.337 20 0 EDADMP C[C@H](C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000357246518 279223004 /nfs/dbraw/zinc/22/30/04/279223004.db2.gz XSVKAEOOHUEYGM-LPHOPBHVSA-N 2 1 344.503 1.337 20 0 EDADMP CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000351623571 279261724 /nfs/dbraw/zinc/26/17/24/279261724.db2.gz JAJVGLCSYLQAPP-ZOBUZTSGSA-N 2 1 325.497 1.721 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000357795093 279270721 /nfs/dbraw/zinc/27/07/21/279270721.db2.gz IMSCIHWQUXLKBE-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000357795093 279270722 /nfs/dbraw/zinc/27/07/22/279270722.db2.gz IMSCIHWQUXLKBE-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000372065125 288194034 /nfs/dbraw/zinc/19/40/34/288194034.db2.gz NKEPPEGEWXLKLA-FGTMMUONSA-N 2 1 339.524 1.576 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000287478783 288246462 /nfs/dbraw/zinc/24/64/62/288246462.db2.gz WSQKQDNCHZTKCK-DOTOQJQBSA-N 2 1 336.480 1.555 20 0 EDADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000367096222 288302149 /nfs/dbraw/zinc/30/21/49/288302149.db2.gz JBSXBQIRQVUSTG-VQHPVUNQSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000367096222 288302150 /nfs/dbraw/zinc/30/21/50/288302150.db2.gz JBSXBQIRQVUSTG-VQHPVUNQSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000367096222 288302151 /nfs/dbraw/zinc/30/21/51/288302151.db2.gz JBSXBQIRQVUSTG-VQHPVUNQSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000367096222 288302152 /nfs/dbraw/zinc/30/21/52/288302152.db2.gz JBSXBQIRQVUSTG-VQHPVUNQSA-N 2 1 336.480 1.118 20 0 EDADMP C[NH+](C)C1CCN(CC2(C[NH+]3CCC([NH+](C)C)CC3)COC2)CC1 ZINC000182055904 289067689 /nfs/dbraw/zinc/06/76/89/289067689.db2.gz FXOMMHIZPXXQGE-UHFFFAOYSA-N 3 1 338.540 1.055 20 0 EDADMP Cc1cc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000291882652 289204855 /nfs/dbraw/zinc/20/48/55/289204855.db2.gz JFGGRWFJSMVHGT-KRWDZBQOSA-N 2 1 343.475 1.980 20 0 EDADMP Cc1cc(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000291882652 289204858 /nfs/dbraw/zinc/20/48/58/289204858.db2.gz JFGGRWFJSMVHGT-KRWDZBQOSA-N 2 1 343.475 1.980 20 0 EDADMP CC[N@H+](CCO)CCNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000291937816 289220719 /nfs/dbraw/zinc/22/07/19/289220719.db2.gz OZHCJEHZCOYNPK-UHFFFAOYSA-N 2 1 349.479 1.104 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000291937816 289220721 /nfs/dbraw/zinc/22/07/21/289220721.db2.gz OZHCJEHZCOYNPK-UHFFFAOYSA-N 2 1 349.479 1.104 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000353028615 290095709 /nfs/dbraw/zinc/09/57/09/290095709.db2.gz BVXDSNKWBQXYKT-YVSFHVDLSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000353028615 290095710 /nfs/dbraw/zinc/09/57/10/290095710.db2.gz BVXDSNKWBQXYKT-YVSFHVDLSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000353028615 290095711 /nfs/dbraw/zinc/09/57/11/290095711.db2.gz BVXDSNKWBQXYKT-YVSFHVDLSA-N 2 1 340.512 1.346 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1c1cc[nH+]cc1Br ZINC000420239928 295226567 /nfs/dbraw/zinc/22/65/67/295226567.db2.gz GIIJBXXUYXCOSK-LLVKDONJSA-N 2 1 341.253 1.668 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000418545051 304510857 /nfs/dbraw/zinc/51/08/57/304510857.db2.gz DLTVXCJVOROLLE-HOCLYGCPSA-N 2 1 336.505 1.758 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)/C=C\C[NH+](C)C ZINC000493396857 447317656 /nfs/dbraw/zinc/31/76/56/447317656.db2.gz UZGCPFFSYSVSCM-RHCWDJOHSA-N 2 1 333.480 1.379 20 0 EDADMP COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414751264 447320591 /nfs/dbraw/zinc/32/05/91/447320591.db2.gz ABVQKBMBPGLPJU-MSOLQXFVSA-N 2 1 333.476 1.373 20 0 EDADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]C2CCOCC2)c1 ZINC000174282763 302952560 /nfs/dbraw/zinc/95/25/60/302952560.db2.gz JDPSUCQEJKUHSF-UHFFFAOYSA-N 2 1 347.459 1.616 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccc2c(c1)NC(=O)CO2)CC[NH+](C)C ZINC000294057182 303056717 /nfs/dbraw/zinc/05/67/17/303056717.db2.gz XMECVZYSKPXOTJ-UHFFFAOYSA-N 2 1 334.464 1.333 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2cc(C)c3nccn3c2)CC[N@H+]1C[C@@H](C)O ZINC000296747650 303335719 /nfs/dbraw/zinc/33/57/19/303335719.db2.gz DKGLUJAAZNGVPY-ZBFHGGJFSA-N 2 1 345.447 1.952 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2cc(C)c3nccn3c2)CCN1C[C@@H](C)O ZINC000296747650 303335720 /nfs/dbraw/zinc/33/57/20/303335720.db2.gz DKGLUJAAZNGVPY-ZBFHGGJFSA-N 2 1 345.447 1.952 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000417010522 303398476 /nfs/dbraw/zinc/39/84/76/303398476.db2.gz PJZVDXNSCKBHDH-WMZOPIPTSA-N 2 1 330.476 1.861 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377738471 447328788 /nfs/dbraw/zinc/32/87/88/447328788.db2.gz PLLYKPVLLLXWJA-SFHVURJKSA-N 2 1 343.487 1.816 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000299656216 303644310 /nfs/dbraw/zinc/64/43/10/303644310.db2.gz QKNWGJLWIPCTPZ-UHFFFAOYSA-N 2 1 329.448 1.965 20 0 EDADMP Brc1cnn(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423112571 304887094 /nfs/dbraw/zinc/88/70/94/304887094.db2.gz RZZPYBCKCNRGEN-MCIONIFRSA-N 2 1 343.269 1.392 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)COC1CC[NH2+]CC1)c1ccccc1Cl ZINC000423309802 304892049 /nfs/dbraw/zinc/89/20/49/304892049.db2.gz QTFSXTWWDKPVQV-INIZCTEOSA-N 2 1 339.867 1.828 20 0 EDADMP C[C@]12CC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C[C@H]1C2(F)F ZINC000428724928 305015831 /nfs/dbraw/zinc/01/58/31/305015831.db2.gz OGJITUOPPWDGAY-ZBFHGGJFSA-N 2 1 327.419 1.707 20 0 EDADMP C[C@]12CC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C[C@H]1C2(F)F ZINC000428724928 305015832 /nfs/dbraw/zinc/01/58/32/305015832.db2.gz OGJITUOPPWDGAY-ZBFHGGJFSA-N 2 1 327.419 1.707 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000429027501 305023125 /nfs/dbraw/zinc/02/31/25/305023125.db2.gz ZWLNIIVYGJTCES-IBGZPJMESA-N 2 1 329.444 1.403 20 0 EDADMP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000429027501 305023126 /nfs/dbraw/zinc/02/31/26/305023126.db2.gz ZWLNIIVYGJTCES-IBGZPJMESA-N 2 1 329.444 1.403 20 0 EDADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000429027501 305023127 /nfs/dbraw/zinc/02/31/27/305023127.db2.gz ZWLNIIVYGJTCES-IBGZPJMESA-N 2 1 329.444 1.403 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000429027501 305023128 /nfs/dbraw/zinc/02/31/28/305023128.db2.gz ZWLNIIVYGJTCES-IBGZPJMESA-N 2 1 329.444 1.403 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000429027501 305023129 /nfs/dbraw/zinc/02/31/29/305023129.db2.gz ZWLNIIVYGJTCES-IBGZPJMESA-N 2 1 329.444 1.403 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000429806709 305037598 /nfs/dbraw/zinc/03/75/98/305037598.db2.gz XLKQJTOOUMNWBM-MAUKXSAKSA-N 2 1 336.524 1.392 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000430574039 305056554 /nfs/dbraw/zinc/05/65/54/305056554.db2.gz SCIIETUFFAQCGR-OCCSQVGLSA-N 2 1 341.402 1.963 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000430574039 305056555 /nfs/dbraw/zinc/05/65/55/305056555.db2.gz SCIIETUFFAQCGR-OCCSQVGLSA-N 2 1 341.402 1.963 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC[C@@H]2C[NH3+])CC1 ZINC000430589407 305057546 /nfs/dbraw/zinc/05/75/46/305057546.db2.gz AJGKARNKPIGVSF-LJQANCHMSA-N 2 1 344.503 1.452 20 0 EDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000430597065 305057655 /nfs/dbraw/zinc/05/76/55/305057655.db2.gz YLUUIWQIIGYJJZ-GDBMZVCRSA-N 2 1 334.464 1.706 20 0 EDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000430597065 305057656 /nfs/dbraw/zinc/05/76/56/305057656.db2.gz YLUUIWQIIGYJJZ-GDBMZVCRSA-N 2 1 334.464 1.706 20 0 EDADMP CCCCc1noc([C@H](C)[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430618347 305059363 /nfs/dbraw/zinc/05/93/63/305059363.db2.gz SUMOTUFBJIWEPM-GJZGRUSLSA-N 2 1 349.479 1.617 20 0 EDADMP CCCCc1noc([C@H](C)[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430618347 305059364 /nfs/dbraw/zinc/05/93/64/305059364.db2.gz SUMOTUFBJIWEPM-GJZGRUSLSA-N 2 1 349.479 1.617 20 0 EDADMP COc1cccc([C@@H](C)[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430621521 305059561 /nfs/dbraw/zinc/05/95/61/305059561.db2.gz DLQVHGOANWQFND-NVXWUHKLSA-N 2 1 331.460 1.900 20 0 EDADMP CC(C)[C@@H](CNC(=O)COC1C[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000430701183 305062794 /nfs/dbraw/zinc/06/27/94/305062794.db2.gz DAPBADNZEITGMW-GOSISDBHSA-N 2 1 331.460 1.174 20 0 EDADMP COCC[C@]1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000430771118 305064541 /nfs/dbraw/zinc/06/45/41/305064541.db2.gz BGNULFIIJCFPAO-UYAOXDASSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]([NH3+])c1ccccc1 ZINC000430894251 305067207 /nfs/dbraw/zinc/06/72/07/305067207.db2.gz LYNUEJUOOMYOOW-BHYGNILZSA-N 2 1 346.475 1.026 20 0 EDADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000430951486 305070375 /nfs/dbraw/zinc/07/03/75/305070375.db2.gz LUJYFIFBNLJGSR-GOEBONIOSA-N 2 1 345.443 1.402 20 0 EDADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000430951486 305070376 /nfs/dbraw/zinc/07/03/76/305070376.db2.gz LUJYFIFBNLJGSR-GOEBONIOSA-N 2 1 345.443 1.402 20 0 EDADMP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430961394 305071186 /nfs/dbraw/zinc/07/11/86/305071186.db2.gz CSFXHZVAUOERQD-FMKPAKJESA-N 2 1 347.459 1.174 20 0 EDADMP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430961394 305071187 /nfs/dbraw/zinc/07/11/87/305071187.db2.gz CSFXHZVAUOERQD-FMKPAKJESA-N 2 1 347.459 1.174 20 0 EDADMP COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430966556 305071482 /nfs/dbraw/zinc/07/14/82/305071482.db2.gz OQAJVJZXRBMKBK-WMLDXEAASA-N 2 1 347.459 1.648 20 0 EDADMP COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430966556 305071483 /nfs/dbraw/zinc/07/14/83/305071483.db2.gz OQAJVJZXRBMKBK-WMLDXEAASA-N 2 1 347.459 1.648 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000430966871 305071558 /nfs/dbraw/zinc/07/15/58/305071558.db2.gz QKXOJQNENLREKX-ROUUACIJSA-N 2 1 344.503 1.321 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000431015218 305072960 /nfs/dbraw/zinc/07/29/60/305072960.db2.gz SNALIUHFXQNBAL-ZWKOTPCHSA-N 2 1 338.540 1.818 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-n3cncn3)cc2)CCCO1 ZINC000432346689 305091868 /nfs/dbraw/zinc/09/18/68/305091868.db2.gz MEMATGPHHTVCEV-MRXNPFEDSA-N 2 1 329.448 1.858 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000433286093 305105017 /nfs/dbraw/zinc/10/50/17/305105017.db2.gz NADIICFTQUDXNT-HZPDHXFCSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000433286093 305105018 /nfs/dbraw/zinc/10/50/18/305105018.db2.gz NADIICFTQUDXNT-HZPDHXFCSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000433286093 305105019 /nfs/dbraw/zinc/10/50/19/305105019.db2.gz NADIICFTQUDXNT-HZPDHXFCSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@H+]1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C2(CCCCC2)C1 ZINC000433394192 305107609 /nfs/dbraw/zinc/10/76/09/305107609.db2.gz KTAISXLUWNSKHD-HNNXBMFYSA-N 2 1 346.479 1.293 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC2(C)CC[NH+](C)CC2)CCCO1 ZINC000433452430 305109514 /nfs/dbraw/zinc/10/95/14/305109514.db2.gz GTKOUCDZUQNWOY-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC000433472219 305110550 /nfs/dbraw/zinc/11/05/50/305110550.db2.gz VAUPTAHWEMLPQV-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC000433472219 305110551 /nfs/dbraw/zinc/11/05/51/305110551.db2.gz VAUPTAHWEMLPQV-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000433472219 305110552 /nfs/dbraw/zinc/11/05/52/305110552.db2.gz VAUPTAHWEMLPQV-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP C[NH2+]CCC[N@@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000435886321 305148978 /nfs/dbraw/zinc/14/89/78/305148978.db2.gz WCFMNKMVJWXYAB-AWEZNQCLSA-N 2 1 326.510 1.968 20 0 EDADMP C[NH2+]CCC[N@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000435886321 305148979 /nfs/dbraw/zinc/14/89/79/305148979.db2.gz WCFMNKMVJWXYAB-AWEZNQCLSA-N 2 1 326.510 1.968 20 0 EDADMP CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C ZINC000435927065 305149405 /nfs/dbraw/zinc/14/94/05/305149405.db2.gz LGRNMRMHYHWPMS-KRWDZBQOSA-N 2 1 339.505 1.709 20 0 EDADMP CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C ZINC000435927065 305149406 /nfs/dbraw/zinc/14/94/06/305149406.db2.gz LGRNMRMHYHWPMS-KRWDZBQOSA-N 2 1 339.505 1.709 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC000440988299 305215827 /nfs/dbraw/zinc/21/58/27/305215827.db2.gz QPTBAEYLANGUTH-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP CC[NH+]1C[C@@H](C)N(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000440988299 305215828 /nfs/dbraw/zinc/21/58/28/305215828.db2.gz QPTBAEYLANGUTH-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP CC[NH+]1C[C@@H](C)N(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000440988299 305215829 /nfs/dbraw/zinc/21/58/29/305215829.db2.gz QPTBAEYLANGUTH-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000442277032 305228054 /nfs/dbraw/zinc/22/80/54/305228054.db2.gz UUJGXPISGLXINO-GJZGRUSLSA-N 2 1 346.475 1.546 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000442277032 305228055 /nfs/dbraw/zinc/22/80/55/305228055.db2.gz UUJGXPISGLXINO-GJZGRUSLSA-N 2 1 346.475 1.546 20 0 EDADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cc(OC)cc(OC)c2)C1 ZINC000446607635 305267902 /nfs/dbraw/zinc/26/79/02/305267902.db2.gz YVLFNLCFNQCYFH-MRXNPFEDSA-N 2 1 349.475 1.736 20 0 EDADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cc(OC)cc(OC)c2)C1 ZINC000446607635 305267903 /nfs/dbraw/zinc/26/79/03/305267903.db2.gz YVLFNLCFNQCYFH-MRXNPFEDSA-N 2 1 349.475 1.736 20 0 EDADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000446607635 305267904 /nfs/dbraw/zinc/26/79/04/305267904.db2.gz YVLFNLCFNQCYFH-MRXNPFEDSA-N 2 1 349.475 1.736 20 0 EDADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000446607635 305267905 /nfs/dbraw/zinc/26/79/05/305267905.db2.gz YVLFNLCFNQCYFH-MRXNPFEDSA-N 2 1 349.475 1.736 20 0 EDADMP O[C@@H](C[NH+]1CCC[C@@H]2COCC[C@@H]21)C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000447316474 305278147 /nfs/dbraw/zinc/27/81/47/305278147.db2.gz YSXBVZSNVNAZOA-JKEDJMADSA-N 2 1 338.492 1.349 20 0 EDADMP O[C@H](C[NH+]1CCC[C@H]2COCC[C@@H]21)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000447316474 305278148 /nfs/dbraw/zinc/27/81/48/305278148.db2.gz YSXBVZSNVNAZOA-JKEDJMADSA-N 2 1 338.492 1.349 20 0 EDADMP O[C@H](C[NH+]1CCC[C@H]2COCC[C@@H]21)C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000447316474 305278149 /nfs/dbraw/zinc/27/81/49/305278149.db2.gz YSXBVZSNVNAZOA-JKEDJMADSA-N 2 1 338.492 1.349 20 0 EDADMP C[C@@H](O)C[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000447844511 305286903 /nfs/dbraw/zinc/28/69/03/305286903.db2.gz QKFIRFTXEVPNKT-QZKQXFQVSA-N 2 1 342.524 1.598 20 0 EDADMP C[C@@H](O)C[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447844511 305286904 /nfs/dbraw/zinc/28/69/04/305286904.db2.gz QKFIRFTXEVPNKT-QZKQXFQVSA-N 2 1 342.524 1.598 20 0 EDADMP C[C@@H](O)C[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447844511 305286905 /nfs/dbraw/zinc/28/69/05/305286905.db2.gz QKFIRFTXEVPNKT-QZKQXFQVSA-N 2 1 342.524 1.598 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cccc(C[NH+]2CCCC2)c1 ZINC000452384747 305396088 /nfs/dbraw/zinc/39/60/88/305396088.db2.gz CDFJYCGVHPXVRO-IBGZPJMESA-N 2 1 345.487 1.859 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@H](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000495736299 305646234 /nfs/dbraw/zinc/64/62/34/305646234.db2.gz HEXNHDIBCXWDIL-CQSZACIVSA-N 2 1 329.485 1.990 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)N1CC[NH+](C)CC1 ZINC000456291977 447355586 /nfs/dbraw/zinc/35/55/86/447355586.db2.gz ZDRYTDVSACTRML-KBXCAEBGSA-N 2 1 330.476 1.810 20 0 EDADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422128643 447363277 /nfs/dbraw/zinc/36/32/77/447363277.db2.gz YSJCQUUDBQOAPI-MRXNPFEDSA-N 2 1 340.512 1.119 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C[C@@H](C)O1 ZINC000529282335 305906700 /nfs/dbraw/zinc/90/67/00/305906700.db2.gz FHGUPTITTHAJKI-KFWWJZLASA-N 2 1 338.496 1.458 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C1CC(O)C1 ZINC000546093864 306090517 /nfs/dbraw/zinc/09/05/17/306090517.db2.gz HUXOCWSVEQVBAK-DVHLICQRSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C1CC(O)C1 ZINC000546093864 306090518 /nfs/dbraw/zinc/09/05/18/306090518.db2.gz HUXOCWSVEQVBAK-DVHLICQRSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC(O)C1 ZINC000546093864 306090519 /nfs/dbraw/zinc/09/05/19/306090519.db2.gz HUXOCWSVEQVBAK-DVHLICQRSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC(O)C1 ZINC000546093864 306090520 /nfs/dbraw/zinc/09/05/20/306090520.db2.gz HUXOCWSVEQVBAK-DVHLICQRSA-N 2 1 331.460 1.221 20 0 EDADMP COc1cccc(C[C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000548910625 306141840 /nfs/dbraw/zinc/14/18/40/306141840.db2.gz JWGJTIQMCWOOOV-GOSISDBHSA-N 2 1 345.487 1.866 20 0 EDADMP COc1cccc(C[C@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000548910625 306141841 /nfs/dbraw/zinc/14/18/41/306141841.db2.gz JWGJTIQMCWOOOV-GOSISDBHSA-N 2 1 345.487 1.866 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000414949518 447370742 /nfs/dbraw/zinc/37/07/42/447370742.db2.gz ZTLZLQUHEDMHDO-XEZPLFJOSA-N 2 1 332.448 1.490 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000414949228 447371037 /nfs/dbraw/zinc/37/10/37/447371037.db2.gz ZEVCAOFBQOGFLU-XJKSGUPXSA-N 2 1 332.448 1.189 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000414956924 447373560 /nfs/dbraw/zinc/37/35/60/447373560.db2.gz AXKXNBQWADBQCP-KRWDZBQOSA-N 2 1 346.475 1.682 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458450736 447374615 /nfs/dbraw/zinc/37/46/15/447374615.db2.gz GJGQLVXBJOSGCM-MRXNPFEDSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](C)C/C=C/C(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000493731825 447379421 /nfs/dbraw/zinc/37/94/21/447379421.db2.gz YZWNKNCBGOYJDS-BQYQJAHWSA-N 2 1 339.480 1.369 20 0 EDADMP C[NH+](C)C/C=C/C(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000493731825 447379430 /nfs/dbraw/zinc/37/94/30/447379430.db2.gz YZWNKNCBGOYJDS-BQYQJAHWSA-N 2 1 339.480 1.369 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000415110461 447388998 /nfs/dbraw/zinc/38/89/98/447388998.db2.gz SVCVLVFRNSNCQS-DOTOQJQBSA-N 2 1 330.476 1.761 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000426218029 447400511 /nfs/dbraw/zinc/40/05/11/447400511.db2.gz CFBVNBNIIPFWSH-KZNAEPCWSA-N 2 1 333.476 1.641 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000426217935 447400709 /nfs/dbraw/zinc/40/07/09/447400709.db2.gz CFBVNBNIIPFWSH-FGTMMUONSA-N 2 1 333.476 1.641 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H](C)[N@@H+]1CCO ZINC000458562033 447413080 /nfs/dbraw/zinc/41/30/80/447413080.db2.gz DBQSGXIJFKMXJK-RYTJFDOTSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000419806238 447425266 /nfs/dbraw/zinc/42/52/66/447425266.db2.gz RCZDFCAKKYGEKU-CABCVRRESA-N 2 1 338.496 1.001 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000081096283 441232857 /nfs/dbraw/zinc/23/28/57/441232857.db2.gz FDGQYJFMHIPMQO-RHSMWYFYSA-N 2 1 329.444 1.945 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000081096283 441232860 /nfs/dbraw/zinc/23/28/60/441232860.db2.gz FDGQYJFMHIPMQO-RHSMWYFYSA-N 2 1 329.444 1.945 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000081096283 441232862 /nfs/dbraw/zinc/23/28/62/441232862.db2.gz FDGQYJFMHIPMQO-RHSMWYFYSA-N 2 1 329.444 1.945 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000081096283 441232866 /nfs/dbraw/zinc/23/28/66/441232866.db2.gz FDGQYJFMHIPMQO-RHSMWYFYSA-N 2 1 329.444 1.945 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000105104314 441233679 /nfs/dbraw/zinc/23/36/79/441233679.db2.gz KPRAAEFODPOIRH-WBVHZDCISA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000105104314 441233681 /nfs/dbraw/zinc/23/36/81/441233681.db2.gz KPRAAEFODPOIRH-WBVHZDCISA-N 2 1 340.512 1.515 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105170047 441240248 /nfs/dbraw/zinc/24/02/48/441240248.db2.gz NIEGCGJDJMZFMR-KRWDZBQOSA-N 2 1 330.476 1.649 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000104806467 441213303 /nfs/dbraw/zinc/21/33/03/441213303.db2.gz SDWNMRHKKYLANG-UHFFFAOYSA-N 2 1 331.464 1.788 20 0 EDADMP Cc1cc(N2CCC([N@@H+](C)CC(=O)NCC(C)C)CC2)nc(C)[nH+]1 ZINC000080967890 441213521 /nfs/dbraw/zinc/21/35/21/441213521.db2.gz QGRCTELDMYPKEA-UHFFFAOYSA-N 2 1 333.480 1.766 20 0 EDADMP Cc1cc(N2CCC([N@H+](C)CC(=O)NCC(C)C)CC2)nc(C)[nH+]1 ZINC000080967890 441213526 /nfs/dbraw/zinc/21/35/26/441213526.db2.gz QGRCTELDMYPKEA-UHFFFAOYSA-N 2 1 333.480 1.766 20 0 EDADMP Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000081358628 441256955 /nfs/dbraw/zinc/25/69/55/441256955.db2.gz OIXJOFAAUFYTCB-LJQANCHMSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000081358628 441256956 /nfs/dbraw/zinc/25/69/56/441256956.db2.gz OIXJOFAAUFYTCB-LJQANCHMSA-N 2 1 345.487 1.654 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CN2CC[NH+](CC)CC2)C1 ZINC000081378018 441261421 /nfs/dbraw/zinc/26/14/21/441261421.db2.gz FDQWBCWQZWGYCU-QGZVFWFLSA-N 2 1 338.540 1.641 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000073618680 441333377 /nfs/dbraw/zinc/33/33/77/441333377.db2.gz JRQBWQINGPJHAX-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)[NH+](C)C ZINC000106458455 441345124 /nfs/dbraw/zinc/34/51/24/441345124.db2.gz AXIYYVALJPINKZ-IBGZPJMESA-N 2 1 346.519 1.636 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000073728517 441346989 /nfs/dbraw/zinc/34/69/89/441346989.db2.gz LJHFDJDSJMLDHL-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000106539415 441353743 /nfs/dbraw/zinc/35/37/43/441353743.db2.gz VLJHFNAEMSVJCB-HNNXBMFYSA-N 2 1 339.528 1.184 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000085457242 441442581 /nfs/dbraw/zinc/44/25/81/441442581.db2.gz ICZGFIOVQBVYLT-IXDOHACOSA-N 2 1 325.497 1.866 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000085457242 441442584 /nfs/dbraw/zinc/44/25/84/441442584.db2.gz ICZGFIOVQBVYLT-IXDOHACOSA-N 2 1 325.497 1.866 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000085457242 441442590 /nfs/dbraw/zinc/44/25/90/441442590.db2.gz ICZGFIOVQBVYLT-IXDOHACOSA-N 2 1 325.497 1.866 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCCCC2)C1 ZINC000052867162 441483336 /nfs/dbraw/zinc/48/33/36/441483336.db2.gz SWYOACMJRVUJJX-QGZVFWFLSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2CCCCC2)C1 ZINC000052867162 441483340 /nfs/dbraw/zinc/48/33/40/441483340.db2.gz SWYOACMJRVUJJX-QGZVFWFLSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C2CCCCC2)C1 ZINC000052867162 441483343 /nfs/dbraw/zinc/48/33/43/441483343.db2.gz SWYOACMJRVUJJX-QGZVFWFLSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH+]1CCN(CC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000111558893 441537807 /nfs/dbraw/zinc/53/78/07/441537807.db2.gz PKOBIRFSAVKOAT-SFHVURJKSA-N 2 1 330.476 1.187 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC000112916948 441567346 /nfs/dbraw/zinc/56/73/46/441567346.db2.gz DBIOMDAWLDHHKK-MJGOQNOKSA-N 2 1 346.519 1.822 20 0 EDADMP C[NH+]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000076410807 441642868 /nfs/dbraw/zinc/64/28/68/441642868.db2.gz ZOMHIDICQLAQIW-UHFFFAOYSA-N 2 1 330.476 1.146 20 0 EDADMP Cc1ccnc(N2CCN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000136959777 441734477 /nfs/dbraw/zinc/73/44/77/441734477.db2.gz HIWQHJZDABOYCP-INIZCTEOSA-N 2 1 343.475 1.706 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000136959777 441734483 /nfs/dbraw/zinc/73/44/83/441734483.db2.gz HIWQHJZDABOYCP-INIZCTEOSA-N 2 1 343.475 1.706 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000136959777 441734489 /nfs/dbraw/zinc/73/44/89/441734489.db2.gz HIWQHJZDABOYCP-INIZCTEOSA-N 2 1 343.475 1.706 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000137512385 441772745 /nfs/dbraw/zinc/77/27/45/441772745.db2.gz MFQILNLSFIEFQR-MJGOQNOKSA-N 2 1 344.503 1.403 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000068515354 441812036 /nfs/dbraw/zinc/81/20/36/441812036.db2.gz BEAMMNRSNBCJTJ-LJQANCHMSA-N 2 1 346.519 1.823 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000139701226 441824259 /nfs/dbraw/zinc/82/42/59/441824259.db2.gz BHZPJIHFKHVBEF-QGZVFWFLSA-N 2 1 331.464 1.439 20 0 EDADMP C[NH+]1CCC[C@@H]2CN(CCN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000140033275 441831928 /nfs/dbraw/zinc/83/19/28/441831928.db2.gz NGNGBRYVSBWSEJ-WTGUMLROSA-N 2 1 334.552 1.819 20 0 EDADMP C[NH+]1CCC[C@@H]2CN(CCN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@@H]21 ZINC000140033275 441831932 /nfs/dbraw/zinc/83/19/32/441831932.db2.gz NGNGBRYVSBWSEJ-WTGUMLROSA-N 2 1 334.552 1.819 20 0 EDADMP C[NH+]1CCC[C@@H]2CN(CCN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@@H]21 ZINC000140033275 441831937 /nfs/dbraw/zinc/83/19/37/441831937.db2.gz NGNGBRYVSBWSEJ-WTGUMLROSA-N 2 1 334.552 1.819 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174291709 441910269 /nfs/dbraw/zinc/91/02/69/441910269.db2.gz GTKOKQZKHLRRSD-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000174373395 441919283 /nfs/dbraw/zinc/91/92/83/441919283.db2.gz KZXSGFLLWNJMTA-OAHLLOKOSA-N 2 1 347.459 1.458 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCOC1 ZINC000174188564 441900346 /nfs/dbraw/zinc/90/03/46/441900346.db2.gz DJOCBPLOAOVPIZ-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000150732704 441939384 /nfs/dbraw/zinc/93/93/84/441939384.db2.gz FBQAKBLDWFEYLN-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000150732704 441939386 /nfs/dbraw/zinc/93/93/86/441939386.db2.gz FBQAKBLDWFEYLN-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP CC[C@H](COC)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125053155 441979116 /nfs/dbraw/zinc/97/91/16/441979116.db2.gz SHEZECIBEUGHKH-QGZVFWFLSA-N 2 1 349.475 1.862 20 0 EDADMP CCS(=O)(=O)N(C)C1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000125151406 441989429 /nfs/dbraw/zinc/98/94/29/441989429.db2.gz FTDUXUPCWSFAQX-UHFFFAOYSA-N 2 1 328.482 1.328 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCCn2cccn2)CC1 ZINC000162641826 442111859 /nfs/dbraw/zinc/11/18/59/442111859.db2.gz MTLVJZABRVECNZ-KRWDZBQOSA-N 2 1 333.480 1.292 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCCn2cccn2)CC1 ZINC000162641826 442111864 /nfs/dbraw/zinc/11/18/64/442111864.db2.gz MTLVJZABRVECNZ-KRWDZBQOSA-N 2 1 333.480 1.292 20 0 EDADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000162682313 442114716 /nfs/dbraw/zinc/11/47/16/442114716.db2.gz AACBASGKFQHLSI-KCITZHQASA-N 2 1 345.487 1.780 20 0 EDADMP CC1CC[NH+](CCCNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000170693442 442249710 /nfs/dbraw/zinc/24/97/10/442249710.db2.gz OTRWOBJXZUEBRJ-UHFFFAOYSA-N 2 1 325.497 1.727 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000176341859 442212547 /nfs/dbraw/zinc/21/25/47/442212547.db2.gz RZZMMAFTLQCGKZ-KRWDZBQOSA-N 2 1 325.497 1.583 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000176341859 442212549 /nfs/dbraw/zinc/21/25/49/442212549.db2.gz RZZMMAFTLQCGKZ-KRWDZBQOSA-N 2 1 325.497 1.583 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176400733 442218413 /nfs/dbraw/zinc/21/84/13/442218413.db2.gz CYAZAEFCZDWUSK-KRWDZBQOSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152495027 442219928 /nfs/dbraw/zinc/21/99/28/442219928.db2.gz YNDMFGVXEWVFKR-KURKYZTESA-N 2 1 339.524 1.972 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000167702698 442222201 /nfs/dbraw/zinc/22/22/01/442222201.db2.gz DIUDBCSDZUINOJ-GOSISDBHSA-N 2 1 330.476 1.015 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000152552824 442225025 /nfs/dbraw/zinc/22/50/25/442225025.db2.gz NQUFFBWMLUHEHB-SJLPKXTDSA-N 2 1 337.439 1.219 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000152552824 442225027 /nfs/dbraw/zinc/22/50/27/442225027.db2.gz NQUFFBWMLUHEHB-SJLPKXTDSA-N 2 1 337.439 1.219 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CSCN3)c2)C[C@@H](C)O1 ZINC000169200597 442226204 /nfs/dbraw/zinc/22/62/04/442226204.db2.gz SRADQLJUZWQSNH-IOASZLSFSA-N 2 1 335.473 1.897 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000176507659 442229532 /nfs/dbraw/zinc/22/95/32/442229532.db2.gz CYRBWBJMKAQJCG-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000176507659 442229535 /nfs/dbraw/zinc/22/95/35/442229535.db2.gz CYRBWBJMKAQJCG-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000176507659 442229537 /nfs/dbraw/zinc/22/95/37/442229537.db2.gz CYRBWBJMKAQJCG-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000129068153 442300314 /nfs/dbraw/zinc/30/03/14/442300314.db2.gz BFUPFUGWUCHLGA-INIZCTEOSA-N 2 1 345.491 1.869 20 0 EDADMP Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000129068153 442300316 /nfs/dbraw/zinc/30/03/16/442300316.db2.gz BFUPFUGWUCHLGA-INIZCTEOSA-N 2 1 345.491 1.869 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](CCCOC)CC1)C1CC1 ZINC000171204731 442327359 /nfs/dbraw/zinc/32/73/59/442327359.db2.gz LCOISTZYDORVPF-UHFFFAOYSA-N 2 1 326.485 1.271 20 0 EDADMP CN(CC[N@@H+](C)C[C@H](O)COc1ccccc1)C1CC[NH+](C)CC1 ZINC000177384255 442334531 /nfs/dbraw/zinc/33/45/31/442334531.db2.gz SQINCUMOHLZLBL-SFHVURJKSA-N 2 1 335.492 1.384 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCN1CCOCC1 ZINC000154483492 442341891 /nfs/dbraw/zinc/34/18/91/442341891.db2.gz ZIBDALZQCACOFW-WMZOPIPTSA-N 2 1 346.475 1.138 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177486832 442348770 /nfs/dbraw/zinc/34/87/70/442348770.db2.gz VDLWUWOLWQJLNK-UHFFFAOYSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129447641 442316677 /nfs/dbraw/zinc/31/66/77/442316677.db2.gz LJGNZPUDIFNYKE-QLOLRVAOSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H](C(=O)NC1CCC(C)CC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129447641 442316679 /nfs/dbraw/zinc/31/66/79/442316679.db2.gz LJGNZPUDIFNYKE-QLOLRVAOSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)[C@H](C)NC(=O)CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154035608 442317665 /nfs/dbraw/zinc/31/76/65/442317665.db2.gz SRTVKVIBUNTMOU-KSZLIROESA-N 2 1 338.540 1.638 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000155658777 442416893 /nfs/dbraw/zinc/41/68/93/442416893.db2.gz DLGABJMDFSFOPT-KSSFIOAISA-N 2 1 346.475 1.315 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC3(O)CCOCC3)CC2)C[C@H](C)O1 ZINC000155919597 442436596 /nfs/dbraw/zinc/43/65/96/442436596.db2.gz WXATWYOJDROJGL-CALCHBBNSA-N 2 1 340.508 1.739 20 0 EDADMP COC1(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000178831770 442497560 /nfs/dbraw/zinc/49/75/60/442497560.db2.gz XXEGTPUXQSYWQA-DOTOQJQBSA-N 2 1 331.460 1.534 20 0 EDADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000156350225 442470986 /nfs/dbraw/zinc/47/09/86/442470986.db2.gz MDXOUFBLPBUHPA-UHFFFAOYSA-N 2 1 346.475 1.031 20 0 EDADMP O=C(Cc1cccc(F)c1)N1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000178966860 442540847 /nfs/dbraw/zinc/54/08/47/442540847.db2.gz NVTGNMXMDQHDDB-UHFFFAOYSA-N 2 1 333.451 1.902 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000180117253 442544487 /nfs/dbraw/zinc/54/44/87/442544487.db2.gz JTYVEXYZCOLMKT-AZUAARDMSA-N 2 1 344.503 1.576 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000180117253 442544490 /nfs/dbraw/zinc/54/44/90/442544490.db2.gz JTYVEXYZCOLMKT-AZUAARDMSA-N 2 1 344.503 1.576 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000180117253 442544493 /nfs/dbraw/zinc/54/44/93/442544493.db2.gz JTYVEXYZCOLMKT-AZUAARDMSA-N 2 1 344.503 1.576 20 0 EDADMP CC(C)[NH+](CCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C(C)C ZINC000186988573 442641274 /nfs/dbraw/zinc/64/12/74/442641274.db2.gz JOVHAJLAPGFBAC-MRXNPFEDSA-N 2 1 342.528 1.592 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@H+]1C ZINC000179293488 442614483 /nfs/dbraw/zinc/61/44/83/442614483.db2.gz SFJZWIHWVVBYGK-NVXWUHKLSA-N 2 1 339.528 1.137 20 0 EDADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000192231756 442619070 /nfs/dbraw/zinc/61/90/70/442619070.db2.gz NHXCVABFAJZGNL-LJQANCHMSA-N 2 1 345.487 1.736 20 0 EDADMP CC1CC[NH+](CCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000187398295 442674028 /nfs/dbraw/zinc/67/40/28/442674028.db2.gz JGIHRUFGMIDVCI-INIZCTEOSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000181810048 442717713 /nfs/dbraw/zinc/71/77/13/442717713.db2.gz UFMUIQSKILGAIU-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000188403791 442746564 /nfs/dbraw/zinc/74/65/64/442746564.db2.gz XMQDYZQRPGGTAC-MRXNPFEDSA-N 2 1 328.501 1.518 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC[N@H+]1CCOC ZINC000246742226 442809078 /nfs/dbraw/zinc/80/90/78/442809078.db2.gz ZCZOPBOYVAPIEJ-IKGGRYGDSA-N 2 1 325.497 1.853 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188775286 442810222 /nfs/dbraw/zinc/81/02/22/442810222.db2.gz IXPNESGUYJRGQU-OAHLLOKOSA-N 2 1 339.443 1.450 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000193917507 442812504 /nfs/dbraw/zinc/81/25/04/442812504.db2.gz PKLUDIDMAAOYMF-CYBMUJFWSA-N 2 1 332.448 1.417 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000193917507 442812506 /nfs/dbraw/zinc/81/25/06/442812506.db2.gz PKLUDIDMAAOYMF-CYBMUJFWSA-N 2 1 332.448 1.417 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)/C=C/C[NH+](C)C)C2)cc(OC)c1 ZINC000268016176 442818019 /nfs/dbraw/zinc/81/80/19/442818019.db2.gz RMCWIRWCBTWYSA-JFDDCEBESA-N 2 1 347.459 1.512 20 0 EDADMP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000194139214 442850083 /nfs/dbraw/zinc/85/00/83/442850083.db2.gz BBMHMJDMIAHGPT-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000194139214 442850087 /nfs/dbraw/zinc/85/00/87/442850087.db2.gz BBMHMJDMIAHGPT-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000188967144 442851088 /nfs/dbraw/zinc/85/10/88/442851088.db2.gz WDMXRIZRAGEADQ-BLLLJJGKSA-N 2 1 329.448 1.144 20 0 EDADMP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000188967086 442851608 /nfs/dbraw/zinc/85/16/08/442851608.db2.gz WDMXRIZRAGEADQ-WBMJQRKESA-N 2 1 329.448 1.144 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(CCN3C(=O)NC4(CCCC4)C3=O)CC[C@H]21 ZINC000247962910 442875686 /nfs/dbraw/zinc/87/56/86/442875686.db2.gz GLMKCUFINDJOBK-LSDHHAIUSA-N 2 1 334.464 1.267 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC[C@H]21 ZINC000247962910 442875689 /nfs/dbraw/zinc/87/56/89/442875689.db2.gz GLMKCUFINDJOBK-LSDHHAIUSA-N 2 1 334.464 1.267 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC[C@H]21 ZINC000247962910 442875691 /nfs/dbraw/zinc/87/56/91/442875691.db2.gz GLMKCUFINDJOBK-LSDHHAIUSA-N 2 1 334.464 1.267 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCN3C(=O)NC4(CCCC4)C3=O)CC[C@H]21 ZINC000247962910 442875694 /nfs/dbraw/zinc/87/56/94/442875694.db2.gz GLMKCUFINDJOBK-LSDHHAIUSA-N 2 1 334.464 1.267 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCN3C(=O)NC4(CCCC4)C3=O)CC[C@H]21 ZINC000247962910 442875696 /nfs/dbraw/zinc/87/56/96/442875696.db2.gz GLMKCUFINDJOBK-LSDHHAIUSA-N 2 1 334.464 1.267 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)CC[N@H+]1C[C@H](C)O ZINC000248441926 442892570 /nfs/dbraw/zinc/89/25/70/442892570.db2.gz AIDKEZHGNMYCKD-QKPAOTATSA-N 2 1 338.496 1.098 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC[NH+]1C[C@H](C)O ZINC000248441926 442892576 /nfs/dbraw/zinc/89/25/76/442892576.db2.gz AIDKEZHGNMYCKD-QKPAOTATSA-N 2 1 338.496 1.098 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC[NH+]1C[C@H](C)O ZINC000248441926 442892578 /nfs/dbraw/zinc/89/25/78/442892578.db2.gz AIDKEZHGNMYCKD-QKPAOTATSA-N 2 1 338.496 1.098 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000248737295 442921698 /nfs/dbraw/zinc/92/16/98/442921698.db2.gz CMKHQUXIFKDRBX-JKSUJKDBSA-N 2 1 336.480 1.841 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000248737295 442921703 /nfs/dbraw/zinc/92/17/03/442921703.db2.gz CMKHQUXIFKDRBX-JKSUJKDBSA-N 2 1 336.480 1.841 20 0 EDADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000185199878 318543029 /nfs/dbraw/zinc/54/30/29/318543029.db2.gz TUITVQZTPHZAIV-MSOLQXFVSA-N 2 1 347.507 1.912 20 0 EDADMP COCCO[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000249427271 442973420 /nfs/dbraw/zinc/97/34/20/442973420.db2.gz YHHQAWSLIUCGKM-MSOLQXFVSA-N 2 1 349.475 1.143 20 0 EDADMP COCCO[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000249427271 442973425 /nfs/dbraw/zinc/97/34/25/442973425.db2.gz YHHQAWSLIUCGKM-MSOLQXFVSA-N 2 1 349.475 1.143 20 0 EDADMP CC[C@]1(CO)CCC[NH+]1CCOCC[N@@H+]1CCC[C@@]1(CC)CO ZINC000189610396 442984664 /nfs/dbraw/zinc/98/46/64/442984664.db2.gz GRYXEUUSCAGHSP-HDICACEKSA-N 2 1 328.497 1.477 20 0 EDADMP CC[C@]1(CO)CCC[N@H+]1CCOCC[NH+]1CCC[C@@]1(CC)CO ZINC000189610396 442984668 /nfs/dbraw/zinc/98/46/68/442984668.db2.gz GRYXEUUSCAGHSP-HDICACEKSA-N 2 1 328.497 1.477 20 0 EDADMP CC[C@]1(CO)CCC[N@@H+]1CCOCC[NH+]1CCC[C@@]1(CC)CO ZINC000189610396 442984673 /nfs/dbraw/zinc/98/46/73/442984673.db2.gz GRYXEUUSCAGHSP-HDICACEKSA-N 2 1 328.497 1.477 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000195124500 442985371 /nfs/dbraw/zinc/98/53/71/442985371.db2.gz RANXLQDRMHKVLZ-KKUMJFAQSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000195124500 442985375 /nfs/dbraw/zinc/98/53/75/442985375.db2.gz RANXLQDRMHKVLZ-KKUMJFAQSA-N 2 1 326.485 1.268 20 0 EDADMP C[N@@H+](CCO)C1CCN(C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268432973 442987251 /nfs/dbraw/zinc/98/72/51/442987251.db2.gz IWVLURGKUDVWRD-INIZCTEOSA-N 2 1 347.459 1.296 20 0 EDADMP CC[C@@]1(CO)CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249599143 442994013 /nfs/dbraw/zinc/99/40/13/442994013.db2.gz XSPFTAJDVJCQEV-UYAOXDASSA-N 2 1 347.503 1.890 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCc1cc(C(N)=O)co1 ZINC000249875485 443008483 /nfs/dbraw/zinc/00/84/83/443008483.db2.gz GUPPBOLSUQAGMQ-CXAGYDPISA-N 2 1 328.416 1.774 20 0 EDADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000249875485 443008487 /nfs/dbraw/zinc/00/84/87/443008487.db2.gz GUPPBOLSUQAGMQ-CXAGYDPISA-N 2 1 328.416 1.774 20 0 EDADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000252442125 443022920 /nfs/dbraw/zinc/02/29/20/443022920.db2.gz QKWXDQVDFHHMLZ-HOTGVXAUSA-N 2 1 332.448 1.906 20 0 EDADMP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@H]1CCCO1 ZINC000184576701 443042355 /nfs/dbraw/zinc/04/23/55/443042355.db2.gz KWPQEPWQKBPDKI-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP CC(C)C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000185111068 443139657 /nfs/dbraw/zinc/13/96/57/443139657.db2.gz OGJAOCLBTIMGCB-QGZVFWFLSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)C[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000185111068 443139660 /nfs/dbraw/zinc/13/96/60/443139660.db2.gz OGJAOCLBTIMGCB-QGZVFWFLSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000236685084 443144120 /nfs/dbraw/zinc/14/41/20/443144120.db2.gz WWPQSUDFWBMCPA-DLBZAZTESA-N 2 1 333.501 1.848 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000236685084 443144122 /nfs/dbraw/zinc/14/41/22/443144122.db2.gz WWPQSUDFWBMCPA-DLBZAZTESA-N 2 1 333.501 1.848 20 0 EDADMP CCN1CCN(C[C@H](C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298568017 318826646 /nfs/dbraw/zinc/82/66/46/318826646.db2.gz WTONDBDJCIAZPS-GOSISDBHSA-N 2 1 345.535 1.914 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000268825412 443119996 /nfs/dbraw/zinc/11/99/96/443119996.db2.gz ITCMOOQMXFDPJK-RLLQIKCJSA-N 2 1 331.504 1.943 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000261667221 443163803 /nfs/dbraw/zinc/16/38/03/443163803.db2.gz ISNJRFQZCJJNNR-RHSMWYFYSA-N 2 1 333.432 1.146 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000261667221 443163806 /nfs/dbraw/zinc/16/38/06/443163806.db2.gz ISNJRFQZCJJNNR-RHSMWYFYSA-N 2 1 333.432 1.146 20 0 EDADMP O=C(C[NH2+]C1CC1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000238163409 443196414 /nfs/dbraw/zinc/19/64/14/443196414.db2.gz ZQLKJCWXLDKDAE-UHFFFAOYSA-N 2 1 330.476 1.063 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185274366 443174648 /nfs/dbraw/zinc/17/46/48/443174648.db2.gz TZCMFNSBQPJNCI-KEYYUXOJSA-N 2 1 336.455 1.876 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185274366 443174652 /nfs/dbraw/zinc/17/46/52/443174652.db2.gz TZCMFNSBQPJNCI-KEYYUXOJSA-N 2 1 336.455 1.876 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000236806667 443148900 /nfs/dbraw/zinc/14/89/00/443148900.db2.gz PIBNNQYADVCFEK-DLBZAZTESA-N 2 1 325.497 1.853 20 0 EDADMP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266503827 443149212 /nfs/dbraw/zinc/14/92/12/443149212.db2.gz ZVIZRLKSMRGKHQ-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266503827 443149216 /nfs/dbraw/zinc/14/92/16/443149216.db2.gz ZVIZRLKSMRGKHQ-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@@H]1CC[NH+](C)C1)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266503827 443149219 /nfs/dbraw/zinc/14/92/19/443149219.db2.gz ZVIZRLKSMRGKHQ-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@@H]1CC[NH+](C)C1)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266503827 443149221 /nfs/dbraw/zinc/14/92/21/443149221.db2.gz ZVIZRLKSMRGKHQ-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCOC(=O)NC(N)=O)C1 ZINC000245692400 443244685 /nfs/dbraw/zinc/24/46/85/443244685.db2.gz WHSAHUGRIQXPCY-GJZGRUSLSA-N 2 1 340.468 1.768 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCOC(=O)NC(N)=O)C1 ZINC000245692400 443244689 /nfs/dbraw/zinc/24/46/89/443244689.db2.gz WHSAHUGRIQXPCY-GJZGRUSLSA-N 2 1 340.468 1.768 20 0 EDADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCOC(=O)NC(N)=O)C1 ZINC000245692400 443244694 /nfs/dbraw/zinc/24/46/94/443244694.db2.gz WHSAHUGRIQXPCY-GJZGRUSLSA-N 2 1 340.468 1.768 20 0 EDADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCOC(=O)NC(N)=O)C1 ZINC000245692400 443244698 /nfs/dbraw/zinc/24/46/98/443244698.db2.gz WHSAHUGRIQXPCY-GJZGRUSLSA-N 2 1 340.468 1.768 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000245794787 443249164 /nfs/dbraw/zinc/24/91/64/443249164.db2.gz YCNKOSVZDHWSEC-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000357651947 319112279 /nfs/dbraw/zinc/11/22/79/319112279.db2.gz OPNAWHLZVRKJHP-SJORKVTESA-N 2 1 342.528 1.763 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000357651947 319112280 /nfs/dbraw/zinc/11/22/80/319112280.db2.gz OPNAWHLZVRKJHP-SJORKVTESA-N 2 1 342.528 1.763 20 0 EDADMP COc1nccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000395235593 319132497 /nfs/dbraw/zinc/13/24/97/319132497.db2.gz RKCHCLFFZJSVPG-UHFFFAOYSA-N 2 1 341.459 1.393 20 0 EDADMP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000269260855 443256358 /nfs/dbraw/zinc/25/63/58/443256358.db2.gz WIFOHNGOKSKMMN-CABCVRRESA-N 2 1 337.489 1.455 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1OC ZINC000415128976 319346629 /nfs/dbraw/zinc/34/66/29/319346629.db2.gz PAFBMIBVWTZCET-OAHLLOKOSA-N 2 1 331.420 1.591 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415243965 319356436 /nfs/dbraw/zinc/35/64/36/319356436.db2.gz WTKSZLTWPJGNNI-CYBMUJFWSA-N 2 1 332.448 1.465 20 0 EDADMP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415717816 319365976 /nfs/dbraw/zinc/36/59/76/319365976.db2.gz DKDJUVLOEGJUAC-QMTHXVAHSA-N 2 1 338.839 1.288 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415938198 319383753 /nfs/dbraw/zinc/38/37/53/319383753.db2.gz OGRVUWUFVGIPHI-OAHLLOKOSA-N 2 1 336.436 1.256 20 0 EDADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416155140 319392941 /nfs/dbraw/zinc/39/29/41/319392941.db2.gz CLERYHCICMIFFS-SJLPKXTDSA-N 2 1 333.476 1.906 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000264509126 443311571 /nfs/dbraw/zinc/31/15/71/443311571.db2.gz ZIBJOVJGBHMUDH-OALUTQOASA-N 2 1 345.487 1.566 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000264509126 443311573 /nfs/dbraw/zinc/31/15/73/443311573.db2.gz ZIBJOVJGBHMUDH-OALUTQOASA-N 2 1 345.487 1.566 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000272437238 443315916 /nfs/dbraw/zinc/31/59/16/443315916.db2.gz KIZXBZFGNYVEDU-AWEZNQCLSA-N 2 1 327.519 1.515 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000416940297 319480071 /nfs/dbraw/zinc/48/00/71/319480071.db2.gz OUZXQVRXJPGBMV-JYJNAYRXSA-N 2 1 326.485 1.160 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000416942828 319481163 /nfs/dbraw/zinc/48/11/63/319481163.db2.gz SKEDWZNPFYRICR-OWCLPIDISA-N 2 1 326.485 1.112 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000416945372 319482208 /nfs/dbraw/zinc/48/22/08/319482208.db2.gz WELJNPAURBEWKJ-JKSUJKDBSA-N 2 1 326.485 1.160 20 0 EDADMP CC(C)C[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000416948182 319482546 /nfs/dbraw/zinc/48/25/46/319482546.db2.gz YXBGIYTWMAOWJN-IAGOWNOFSA-N 2 1 340.512 1.422 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000278539853 443357786 /nfs/dbraw/zinc/35/77/86/443357786.db2.gz GGRBFSKORCXOAF-INIZCTEOSA-N 2 1 333.432 1.528 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000264652733 443361958 /nfs/dbraw/zinc/36/19/58/443361958.db2.gz GSJSSEXGXNQKCY-GOSISDBHSA-N 2 1 330.476 1.258 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000264771531 443416909 /nfs/dbraw/zinc/41/69/09/443416909.db2.gz AMKUQFXVQPRMBL-KRWDZBQOSA-N 2 1 348.516 1.609 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000264771531 443416913 /nfs/dbraw/zinc/41/69/13/443416913.db2.gz AMKUQFXVQPRMBL-KRWDZBQOSA-N 2 1 348.516 1.609 20 0 EDADMP CC[C@H]([NH2+]CCc1ccc(OC)c(S(N)(=O)=O)c1)[C@@H]1CCC[NH2+]1 ZINC000423014750 319746012 /nfs/dbraw/zinc/74/60/12/319746012.db2.gz JGFCOQCUOLDWAQ-KBPBESRZSA-N 2 1 341.477 1.005 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NCC2=CC[N@H+](C)CC2)c2ccccc2)CC1 ZINC000271871042 443516633 /nfs/dbraw/zinc/51/66/33/443516633.db2.gz LNVZJVFTJPTZFV-IBGZPJMESA-N 2 1 342.487 1.353 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NCC2=CC[N@@H+](C)CC2)c2ccccc2)CC1 ZINC000271871042 443516635 /nfs/dbraw/zinc/51/66/35/443516635.db2.gz LNVZJVFTJPTZFV-IBGZPJMESA-N 2 1 342.487 1.353 20 0 EDADMP CN(C)c1cc(NC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000423446431 319776655 /nfs/dbraw/zinc/77/66/55/319776655.db2.gz YTVGSMZLMQYYBV-GFCCVEGCSA-N 2 1 328.420 1.600 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+]CN2CCC(=O)CC2)[C@H](c2ccccc2)C1 ZINC000273141035 443548435 /nfs/dbraw/zinc/54/84/35/443548435.db2.gz WUCQEKUNBHXCGS-FQEVSTJZSA-N 2 1 344.503 1.577 20 0 EDADMP CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000430558910 319933721 /nfs/dbraw/zinc/93/37/21/319933721.db2.gz ZIBDCFGWXUTXAJ-UHFFFAOYSA-N 2 1 348.447 1.413 20 0 EDADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000286100143 443646298 /nfs/dbraw/zinc/64/62/98/443646298.db2.gz NNCKGPLJXZFSAR-QAPCUYQASA-N 2 1 348.491 1.050 20 0 EDADMP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000444355141 320126634 /nfs/dbraw/zinc/12/66/34/320126634.db2.gz XLBQAFJALGOXPU-YJBOKZPZSA-N 2 1 333.476 1.593 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000444355141 320126635 /nfs/dbraw/zinc/12/66/35/320126635.db2.gz XLBQAFJALGOXPU-YJBOKZPZSA-N 2 1 333.476 1.593 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000447446444 320142625 /nfs/dbraw/zinc/14/26/25/320142625.db2.gz HSUPJTWSHYWODY-VBQJREDUSA-N 2 1 335.448 1.598 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000447446444 320142626 /nfs/dbraw/zinc/14/26/26/320142626.db2.gz HSUPJTWSHYWODY-VBQJREDUSA-N 2 1 335.448 1.598 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCn2cc(Br)ccc2=O)[C@H](C)C1 ZINC000449380340 320185977 /nfs/dbraw/zinc/18/59/77/320185977.db2.gz WGKBGHZALWOVMI-TZMCWYRMSA-N 2 1 342.281 1.931 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2CCN(C(=O)OC(C)(C)C)C2=O)CC1 ZINC000496704501 320412346 /nfs/dbraw/zinc/41/23/46/320412346.db2.gz WTWXUWPGXDEKBF-UHFFFAOYSA-N 2 1 340.468 1.890 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnn3cccnc23)CC1 ZINC000516207711 320434730 /nfs/dbraw/zinc/43/47/30/320434730.db2.gz CWQYBYFZGZXRJN-UHFFFAOYSA-N 2 1 337.387 1.128 20 0 EDADMP Cc1cc2ncn(C[C@H](O)C[N@H+](CCOCCO)C(C)C)c2cc1C ZINC000283747984 443705244 /nfs/dbraw/zinc/70/52/44/443705244.db2.gz JZZHKLBBLPUBGX-QGZVFWFLSA-N 2 1 349.475 1.733 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cn2cccnc2n1 ZINC000298170566 443711083 /nfs/dbraw/zinc/71/10/83/443711083.db2.gz UGMISTNTGPSLOK-QGZVFWFLSA-N 2 1 330.480 1.577 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC(F)(F)C[NH3+] ZINC000521060568 320482298 /nfs/dbraw/zinc/48/22/98/320482298.db2.gz ZHSQACBWBNAPSJ-UHFFFAOYSA-N 2 1 335.345 1.839 20 0 EDADMP O=C(CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)NCC(F)F ZINC000280904547 443771207 /nfs/dbraw/zinc/77/12/07/443771207.db2.gz PYDICNIPHAHZTP-OWCLPIDISA-N 2 1 337.414 1.868 20 0 EDADMP O=C(C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)NCC(F)F ZINC000280904547 443771209 /nfs/dbraw/zinc/77/12/09/443771209.db2.gz PYDICNIPHAHZTP-OWCLPIDISA-N 2 1 337.414 1.868 20 0 EDADMP O=C(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)NCC(F)F ZINC000280904547 443771213 /nfs/dbraw/zinc/77/12/13/443771213.db2.gz PYDICNIPHAHZTP-OWCLPIDISA-N 2 1 337.414 1.868 20 0 EDADMP COc1ccnc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1OC ZINC000530241539 320617215 /nfs/dbraw/zinc/61/72/15/320617215.db2.gz JTBWTWHSCKXMOC-HNNXBMFYSA-N 2 1 335.448 1.689 20 0 EDADMP CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000298891880 443894640 /nfs/dbraw/zinc/89/46/40/443894640.db2.gz XEXVQNIKTNJJFK-GJZGRUSLSA-N 2 1 346.475 1.852 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](O)C12CCCC2)c1ccccc1 ZINC000292831235 443854803 /nfs/dbraw/zinc/85/48/03/443854803.db2.gz UDXPORUJCUSCHC-ROUUACIJSA-N 2 1 345.487 1.785 20 0 EDADMP COCCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000293168327 443941481 /nfs/dbraw/zinc/94/14/81/443941481.db2.gz RUVSIEFYMFZEPN-ROUUACIJSA-N 2 1 336.476 1.499 20 0 EDADMP COCCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000293168327 443941486 /nfs/dbraw/zinc/94/14/86/443941486.db2.gz RUVSIEFYMFZEPN-ROUUACIJSA-N 2 1 336.476 1.499 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+](C)C ZINC000541797831 320776932 /nfs/dbraw/zinc/77/69/32/320776932.db2.gz QTOLYEUIAGOMQH-INIZCTEOSA-N 2 1 336.480 1.891 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000288594400 443929358 /nfs/dbraw/zinc/92/93/58/443929358.db2.gz TUZQUHRDPKZNNJ-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2[nH]cnc2C)[C@@H]1c1ccccc1 ZINC000285461722 443993827 /nfs/dbraw/zinc/99/38/27/443993827.db2.gz QTJSUTSGLWNGMU-HKUYNNGSSA-N 2 1 342.443 1.839 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)Cc2[nH]cnc2C)[C@@H]1c1ccccc1 ZINC000285461722 443993835 /nfs/dbraw/zinc/99/38/35/443993835.db2.gz QTJSUTSGLWNGMU-HKUYNNGSSA-N 2 1 342.443 1.839 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C3CCC(O)CC3)cc2)CC1 ZINC000285578772 444035700 /nfs/dbraw/zinc/03/57/00/444035700.db2.gz IMDBOVXLQKCBEI-UHFFFAOYSA-N 2 1 331.460 1.467 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)Nc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000289091332 444051429 /nfs/dbraw/zinc/05/14/29/444051429.db2.gz OTYDUZMNOMSLKL-AWEZNQCLSA-N 2 1 334.468 1.287 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299316515 444016408 /nfs/dbraw/zinc/01/64/08/444016408.db2.gz WUKKXDVDFGEVIQ-SJORKVTESA-N 2 1 331.460 1.984 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000293581819 444060422 /nfs/dbraw/zinc/06/04/22/444060422.db2.gz YNZQYOKUVBQZMG-RTBURBONSA-N 2 1 342.487 1.258 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000557355271 321002965 /nfs/dbraw/zinc/00/29/65/321002965.db2.gz QREQZCYUVZEZGY-CYBMUJFWSA-N 2 1 329.404 1.121 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000561145257 321035049 /nfs/dbraw/zinc/03/50/49/321035049.db2.gz CUJYTLXWFUMCMM-QZTJIDSGSA-N 2 1 346.475 1.329 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000561428182 321041012 /nfs/dbraw/zinc/04/10/12/321041012.db2.gz SQLAVMDKEYVKSP-ICSRJNTNSA-N 2 1 345.487 1.614 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000561428182 321041014 /nfs/dbraw/zinc/04/10/14/321041014.db2.gz SQLAVMDKEYVKSP-ICSRJNTNSA-N 2 1 345.487 1.614 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000561428182 321041016 /nfs/dbraw/zinc/04/10/16/321041016.db2.gz SQLAVMDKEYVKSP-ICSRJNTNSA-N 2 1 345.487 1.614 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562804059 321077228 /nfs/dbraw/zinc/07/72/28/321077228.db2.gz LIPHSOAEMNSRJM-ZOBUZTSGSA-N 2 1 334.464 1.265 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562804059 321077229 /nfs/dbraw/zinc/07/72/29/321077229.db2.gz LIPHSOAEMNSRJM-ZOBUZTSGSA-N 2 1 334.464 1.265 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000563384492 321107396 /nfs/dbraw/zinc/10/73/96/321107396.db2.gz MSICLNREFGCEAS-UHFFFAOYSA-N 2 1 337.508 1.822 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)n2C ZINC000564050322 321119961 /nfs/dbraw/zinc/11/99/61/321119961.db2.gz WJCKKTZGURTQMG-YHWZYXNKSA-N 2 1 342.447 1.389 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C)n2C ZINC000564050322 321119963 /nfs/dbraw/zinc/11/99/63/321119963.db2.gz WJCKKTZGURTQMG-YHWZYXNKSA-N 2 1 342.447 1.389 20 0 EDADMP O[C@H](CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12)COc1ccc2c(c1)OCO2 ZINC000564444815 321132091 /nfs/dbraw/zinc/13/20/91/321132091.db2.gz SXIHRYYBUUEOIT-BMFZPTHFSA-N 2 1 334.416 1.371 20 0 EDADMP O[C@H](CN[C@@H]1CC[N@H+]2CCCC[C@@H]12)COc1ccc2c(c1)OCO2 ZINC000564444815 321132093 /nfs/dbraw/zinc/13/20/93/321132093.db2.gz SXIHRYYBUUEOIT-BMFZPTHFSA-N 2 1 334.416 1.371 20 0 EDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC1CC[NH2+]CC1 ZINC000567647174 321250573 /nfs/dbraw/zinc/25/05/73/321250573.db2.gz XJKVIVOHLMVPDO-UHFFFAOYSA-N 2 1 332.448 1.247 20 0 EDADMP C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000567982908 321271191 /nfs/dbraw/zinc/27/11/91/321271191.db2.gz ZIGRGNWNJTUPOF-USXIJHARSA-N 2 1 333.476 1.766 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000568622456 321299319 /nfs/dbraw/zinc/29/93/19/321299319.db2.gz AQXKFVXCAXGNEU-XYJFISCASA-N 2 1 330.476 1.311 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1(C)C ZINC000569454190 321325976 /nfs/dbraw/zinc/32/59/76/321325976.db2.gz DKPUGNPMMALSQT-UHFFFAOYSA-N 2 1 345.491 1.480 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[NH2+]1 ZINC000570028688 321334797 /nfs/dbraw/zinc/33/47/97/321334797.db2.gz JLGCAAYMARGUBT-CRAIPNDOSA-N 2 1 346.475 1.459 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000571103921 321371981 /nfs/dbraw/zinc/37/19/81/321371981.db2.gz LQVRAKTXADNSTD-GOSISDBHSA-N 2 1 333.476 1.367 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000571670999 321396284 /nfs/dbraw/zinc/39/62/84/321396284.db2.gz NIBQMIWYMBPFAU-FJIDUMEYSA-N 2 1 327.513 1.167 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC000571773452 321399925 /nfs/dbraw/zinc/39/99/25/321399925.db2.gz YTHWBMZAKQSUIT-HZMVEIRTSA-N 2 1 338.496 1.112 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc2F)CC1 ZINC000571885347 321405321 /nfs/dbraw/zinc/40/53/21/321405321.db2.gz KMDOLQQRGQSAIL-ZIAGYGMSSA-N 2 1 336.455 1.823 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000572014079 321411195 /nfs/dbraw/zinc/41/11/95/321411195.db2.gz QSSVGFOLCKOTJQ-NXOAAHMSSA-N 2 1 336.480 1.023 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)[C@H]2C1 ZINC000285939984 444158921 /nfs/dbraw/zinc/15/89/21/444158921.db2.gz VNCHSXKBDONZIP-OALUTQOASA-N 2 1 343.471 1.828 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000296219164 444212752 /nfs/dbraw/zinc/21/27/52/444212752.db2.gz BWEXSAVEVWTLLV-XJKSGUPXSA-N 2 1 332.448 1.463 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000296219164 444212753 /nfs/dbraw/zinc/21/27/53/444212753.db2.gz BWEXSAVEVWTLLV-XJKSGUPXSA-N 2 1 332.448 1.463 20 0 EDADMP Cc1ccccc1-n1cc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)nn1 ZINC000289654871 444186957 /nfs/dbraw/zinc/18/69/57/444186957.db2.gz HULCOBJBYKKZGI-INIZCTEOSA-N 2 1 342.491 1.549 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000576236472 321549505 /nfs/dbraw/zinc/54/95/05/321549505.db2.gz LZQZWMJXYOPHAF-UHFFFAOYSA-N 2 1 327.375 1.566 20 0 EDADMP CCO[C@@H](C)c1noc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000303870245 444237540 /nfs/dbraw/zinc/23/75/40/444237540.db2.gz QBHJBLYTMKEUNS-KGLIPLIRSA-N 2 1 340.468 1.692 20 0 EDADMP CCO[C@@H](C)c1noc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000303870245 444237542 /nfs/dbraw/zinc/23/75/42/444237542.db2.gz QBHJBLYTMKEUNS-KGLIPLIRSA-N 2 1 340.468 1.692 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)Cn2cc[nH+]c2C)N2CCOCC2)s1 ZINC000297297612 444281741 /nfs/dbraw/zinc/28/17/41/444281741.db2.gz DVXAVQZTEPWCMZ-OAHLLOKOSA-N 2 1 348.472 1.751 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](Cc3ccccc3)OC)C2)CC1 ZINC000297465298 444289372 /nfs/dbraw/zinc/28/93/72/444289372.db2.gz KKWUMQKXBDGMMJ-UXHICEINSA-N 2 1 331.504 1.956 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309731161 444289877 /nfs/dbraw/zinc/28/98/77/444289877.db2.gz PDJOTNMFTHDGEU-IRXDYDNUSA-N 2 1 333.501 1.720 20 0 EDADMP CC(C)C[C@@H](CNC(=O)c1ccccc1CC[NH3+])[NH+]1CCOCC1 ZINC000324951365 444360180 /nfs/dbraw/zinc/36/01/80/444360180.db2.gz ULVGQPLTVOHNRS-KRWDZBQOSA-N 2 1 333.476 1.665 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)c2csc(CC[NH3+])n2)cn1 ZINC000321386339 444335768 /nfs/dbraw/zinc/33/57/68/444335768.db2.gz IXGDCZJQLLWDSN-UHFFFAOYSA-N 2 1 328.401 1.786 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1CCCCCC1 ZINC000340311038 444377960 /nfs/dbraw/zinc/37/79/60/444377960.db2.gz ZNMDPXPZMVUKBK-INIZCTEOSA-N 2 1 325.497 1.556 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C[C@H]1[NH+](C)C ZINC000340589022 444451160 /nfs/dbraw/zinc/45/11/60/444451160.db2.gz FSGRSRRARIUEAR-ZTFGCOKTSA-N 2 1 347.528 1.937 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C[C@H]1[NH+](C)C ZINC000340589022 444451163 /nfs/dbraw/zinc/45/11/63/444451163.db2.gz FSGRSRRARIUEAR-ZTFGCOKTSA-N 2 1 347.528 1.937 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000580311548 322035183 /nfs/dbraw/zinc/03/51/83/322035183.db2.gz LSKOJDIZCKGLMS-ZIAGYGMSSA-N 2 1 348.447 1.002 20 0 EDADMP Cc1nn(-c2ccncc2)cc1CN1CCO[C@]2(CCCOC2)C1 ZINC000580826007 322099793 /nfs/dbraw/zinc/09/97/93/322099793.db2.gz OIGFGMDLIYDWSL-GOSISDBHSA-N 2 1 328.416 1.957 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581074485 322132883 /nfs/dbraw/zinc/13/28/83/322132883.db2.gz NDRROOPCKUYWFR-NJAFHUGGSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581074485 322132886 /nfs/dbraw/zinc/13/28/86/322132886.db2.gz NDRROOPCKUYWFR-NJAFHUGGSA-N 2 1 331.460 1.534 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000581365030 322168992 /nfs/dbraw/zinc/16/89/92/322168992.db2.gz AGLMEDBVWDJFKL-IAGOWNOFSA-N 2 1 328.497 1.501 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343767721 444577418 /nfs/dbraw/zinc/57/74/18/444577418.db2.gz NIPJPYOXKQICOJ-WZYMTQMTSA-N 2 1 335.492 1.428 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CCC[N@H+]1C ZINC000343713844 444539389 /nfs/dbraw/zinc/53/93/89/444539389.db2.gz NSTWKXJREAUNKU-WBVHZDCISA-N 2 1 348.491 1.909 20 0 EDADMP O=C(NC[C@H]1CCc2[nH+]ccn2C1)[C@H]1COCCN1C1CCCC1 ZINC000332909312 444593596 /nfs/dbraw/zinc/59/35/96/444593596.db2.gz PSNFDBMZNJGDLB-GDBMZVCRSA-N 2 1 332.448 1.205 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332943908 444605962 /nfs/dbraw/zinc/60/59/62/444605962.db2.gz OIQRMZZUYGALIZ-HOTGVXAUSA-N 2 1 338.496 1.148 20 0 EDADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H](C)[N@@H+]1CCO ZINC000333584171 444682617 /nfs/dbraw/zinc/68/26/17/444682617.db2.gz KLJPYXXXCFOCJH-DJSILETISA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH+]1CCO ZINC000333584171 444682621 /nfs/dbraw/zinc/68/26/21/444682621.db2.gz KLJPYXXXCFOCJH-DJSILETISA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1CCO ZINC000333584171 444682625 /nfs/dbraw/zinc/68/26/25/444682625.db2.gz KLJPYXXXCFOCJH-DJSILETISA-N 2 1 338.496 1.098 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343885508 444646789 /nfs/dbraw/zinc/64/67/89/444646789.db2.gz HCKAXDKCGIOHBC-MAUKXSAKSA-N 2 1 342.491 1.426 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343885508 444646790 /nfs/dbraw/zinc/64/67/90/444646790.db2.gz HCKAXDKCGIOHBC-MAUKXSAKSA-N 2 1 342.491 1.426 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000341154190 444698623 /nfs/dbraw/zinc/69/86/23/444698623.db2.gz DWZVCOCITVSDRH-DLBZAZTESA-N 2 1 338.496 1.271 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000341154190 444698628 /nfs/dbraw/zinc/69/86/28/444698628.db2.gz DWZVCOCITVSDRH-DLBZAZTESA-N 2 1 338.496 1.271 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000341154190 444698634 /nfs/dbraw/zinc/69/86/34/444698634.db2.gz DWZVCOCITVSDRH-DLBZAZTESA-N 2 1 338.496 1.271 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000333823068 444701349 /nfs/dbraw/zinc/70/13/49/444701349.db2.gz HZYMNXCCSPPIPG-PMPSAXMXSA-N 2 1 329.510 1.122 20 0 EDADMP CC[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1CCOC ZINC000344021693 444732814 /nfs/dbraw/zinc/73/28/14/444732814.db2.gz ZJNBOIGRAVBFAK-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000341171879 444709021 /nfs/dbraw/zinc/70/90/21/444709021.db2.gz CMEVLMXLWUACFQ-UHFFFAOYSA-N 2 1 332.448 1.857 20 0 EDADMP C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)C[NH+](C)C)cc2)C[C@H]1C ZINC000342427039 444687438 /nfs/dbraw/zinc/68/74/38/444687438.db2.gz TZLQNZBTOMTDFV-CALCHBBNSA-N 2 1 347.503 1.874 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)C1 ZINC000334044780 444759583 /nfs/dbraw/zinc/75/95/83/444759583.db2.gz PQMYOSXOFNPWIA-MRXNPFEDSA-N 2 1 346.479 1.456 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000334044780 444759586 /nfs/dbraw/zinc/75/95/86/444759586.db2.gz PQMYOSXOFNPWIA-MRXNPFEDSA-N 2 1 346.479 1.456 20 0 EDADMP C[C@@H](O)[C@@H]1CCN(c2cc(NCC[N@H+]3CCC[C@@H](C)C3)ncn2)C1 ZINC000334058785 444765700 /nfs/dbraw/zinc/76/57/00/444765700.db2.gz XJWIDIARENKMIW-BZUAXINKSA-N 2 1 333.480 1.828 20 0 EDADMP COC(=O)[C@](C)(O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336719759 444796060 /nfs/dbraw/zinc/79/60/60/444796060.db2.gz RTWBHQMOHHFQTK-ZIFCJYIRSA-N 2 1 332.444 1.364 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336719759 444796063 /nfs/dbraw/zinc/79/60/63/444796063.db2.gz RTWBHQMOHHFQTK-ZIFCJYIRSA-N 2 1 332.444 1.364 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336719759 444796067 /nfs/dbraw/zinc/79/60/67/444796067.db2.gz RTWBHQMOHHFQTK-ZIFCJYIRSA-N 2 1 332.444 1.364 20 0 EDADMP CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CCn2cc[nH+]c2C)CC1 ZINC000344127831 444796667 /nfs/dbraw/zinc/79/66/67/444796667.db2.gz WVVVHJHWMSZPBV-CQSZACIVSA-N 2 1 342.509 1.574 20 0 EDADMP CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)CCn2cc[nH+]c2C)CC1 ZINC000344127831 444796668 /nfs/dbraw/zinc/79/66/68/444796668.db2.gz WVVVHJHWMSZPBV-CQSZACIVSA-N 2 1 342.509 1.574 20 0 EDADMP CCC(CC)[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)[NH+]1CCOCC1 ZINC000342720957 444834417 /nfs/dbraw/zinc/83/44/17/444834417.db2.gz SBOOCKDXDBIURH-WNRNVDISSA-N 2 1 337.508 1.709 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000342732541 444839615 /nfs/dbraw/zinc/83/96/15/444839615.db2.gz ZTXJLGUYXTZSBG-XLMAVXFVSA-N 2 1 325.497 1.626 20 0 EDADMP C[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000341453359 444839929 /nfs/dbraw/zinc/83/99/29/444839929.db2.gz CHMZEATZUXJPHY-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP C[C@H]1C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC[N@H+]1C ZINC000344219665 444845991 /nfs/dbraw/zinc/84/59/91/444845991.db2.gz ZJAKKRNIIZIOEU-DLBZAZTESA-N 3 1 326.529 1.449 20 0 EDADMP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000342754194 444850259 /nfs/dbraw/zinc/85/02/59/444850259.db2.gz PVSVKUKYYDAGTL-AWEZNQCLSA-N 2 1 327.375 1.810 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC[NH+](C)[C@H]2C)C1 ZINC000344237793 444856059 /nfs/dbraw/zinc/85/60/59/444856059.db2.gz OPPBATQKGIRHQL-XHSDSOJGSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000344237793 444856063 /nfs/dbraw/zinc/85/60/63/444856063.db2.gz OPPBATQKGIRHQL-XHSDSOJGSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000344237793 444856069 /nfs/dbraw/zinc/85/60/69/444856069.db2.gz OPPBATQKGIRHQL-XHSDSOJGSA-N 2 1 326.485 1.125 20 0 EDADMP Cc1cnc(CN(C)CCN2CCN(c3ccccc3)CC2)n1C ZINC000342797887 444871637 /nfs/dbraw/zinc/87/16/37/444871637.db2.gz QYFZGPKXOLWDLB-UHFFFAOYSA-N 2 1 327.476 1.983 20 0 EDADMP COCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCO[C@H]1C ZINC000337380143 445056554 /nfs/dbraw/zinc/05/65/54/445056554.db2.gz YEZPWPYLUVWSJV-ROUUACIJSA-N 2 1 327.513 1.528 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC[NH+](CC2CCC2)CC1 ZINC000339199770 445085566 /nfs/dbraw/zinc/08/55/66/445085566.db2.gz AZVVVDOQZGCANI-LJQANCHMSA-N 2 1 349.519 1.964 20 0 EDADMP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000339199770 445085567 /nfs/dbraw/zinc/08/55/67/445085567.db2.gz AZVVVDOQZGCANI-LJQANCHMSA-N 2 1 349.519 1.964 20 0 EDADMP O=C([C@H]1CCC[NH+]1C1CCOCC1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000339199770 445085571 /nfs/dbraw/zinc/08/55/71/445085571.db2.gz AZVVVDOQZGCANI-LJQANCHMSA-N 2 1 349.519 1.964 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000337340278 445039630 /nfs/dbraw/zinc/03/96/30/445039630.db2.gz SOAPJNWKMPAGLI-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000337340278 445039635 /nfs/dbraw/zinc/03/96/35/445039635.db2.gz SOAPJNWKMPAGLI-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000337340278 445039638 /nfs/dbraw/zinc/03/96/38/445039638.db2.gz SOAPJNWKMPAGLI-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000342042553 445140506 /nfs/dbraw/zinc/14/05/06/445140506.db2.gz RINIBJNOYZZTHN-OAHLLOKOSA-N 2 1 347.463 1.106 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000342042553 445140511 /nfs/dbraw/zinc/14/05/11/445140511.db2.gz RINIBJNOYZZTHN-OAHLLOKOSA-N 2 1 347.463 1.106 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000342042553 445140515 /nfs/dbraw/zinc/14/05/15/445140515.db2.gz RINIBJNOYZZTHN-OAHLLOKOSA-N 2 1 347.463 1.106 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337605721 445162848 /nfs/dbraw/zinc/16/28/48/445162848.db2.gz QVMQEIVLEWRCOV-DOTOQJQBSA-N 2 1 328.501 1.253 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCCC(F)(F)C3)cn2)CC1 ZINC000344798211 445143476 /nfs/dbraw/zinc/14/34/76/445143476.db2.gz UECIYKHPXSUREI-CQSZACIVSA-N 2 1 325.407 1.896 20 0 EDADMP C[NH+](CC(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000345073393 445159814 /nfs/dbraw/zinc/15/98/14/445159814.db2.gz XKLYTXNHQILZOK-ZACQAIPSSA-N 2 1 333.501 1.638 20 0 EDADMP CSC[C@H](O)C[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000346936985 445228143 /nfs/dbraw/zinc/22/81/43/445228143.db2.gz SHVOMRIEUSLSBL-SQWLQELKSA-N 2 1 326.510 1.459 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000347686786 445244989 /nfs/dbraw/zinc/24/49/89/445244989.db2.gz ACRPRFXYFYNWGY-HZPDHXFCSA-N 2 1 325.497 1.581 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000354607221 445312104 /nfs/dbraw/zinc/31/21/04/445312104.db2.gz STKKYLOUHISYEL-HUUCEWRRSA-N 2 1 342.447 1.579 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000354607221 445312107 /nfs/dbraw/zinc/31/21/07/445312107.db2.gz STKKYLOUHISYEL-HUUCEWRRSA-N 2 1 342.447 1.579 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000348530765 445315931 /nfs/dbraw/zinc/31/59/31/445315931.db2.gz BPYGHEPCTMPXAH-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000348530765 445315935 /nfs/dbraw/zinc/31/59/35/445315935.db2.gz BPYGHEPCTMPXAH-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000348530765 445315937 /nfs/dbraw/zinc/31/59/37/445315937.db2.gz BPYGHEPCTMPXAH-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000351850173 445343050 /nfs/dbraw/zinc/34/30/50/445343050.db2.gz IDRGAHVZMYUCML-HUUCEWRRSA-N 2 1 336.505 1.061 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000351850173 445343052 /nfs/dbraw/zinc/34/30/52/445343052.db2.gz IDRGAHVZMYUCML-HUUCEWRRSA-N 2 1 336.505 1.061 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000351852267 445343329 /nfs/dbraw/zinc/34/33/29/445343329.db2.gz MGYWNFDCZPMKOI-HKUYNNGSSA-N 2 1 344.503 1.308 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000351862765 445346821 /nfs/dbraw/zinc/34/68/21/445346821.db2.gz QKMBMUBLCPYZHL-GDBMZVCRSA-N 2 1 336.505 1.061 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000351862765 445346822 /nfs/dbraw/zinc/34/68/22/445346822.db2.gz QKMBMUBLCPYZHL-GDBMZVCRSA-N 2 1 336.505 1.061 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@H]1CCC[NH+]1C)c1ccccc1 ZINC000356976300 445356211 /nfs/dbraw/zinc/35/62/11/445356211.db2.gz CKPBXTUFEXYWGK-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP COCC[NH+](C)CC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000356976300 445356214 /nfs/dbraw/zinc/35/62/14/445356214.db2.gz CKPBXTUFEXYWGK-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP COCC[NH+](C)CC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000356976300 445356217 /nfs/dbraw/zinc/35/62/17/445356217.db2.gz CKPBXTUFEXYWGK-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP CCC[N@@H+](C)CC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000356989835 445364518 /nfs/dbraw/zinc/36/45/18/445364518.db2.gz YWHYVGZSSCUBSQ-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP C[C@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000359685061 445374400 /nfs/dbraw/zinc/37/44/00/445374400.db2.gz LEGXGNRFJIGHPU-DNVCBOLYSA-N 2 1 347.528 1.987 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1N1CCOCC1 ZINC000359772399 445419807 /nfs/dbraw/zinc/41/98/07/445419807.db2.gz FZUQSURVECOHIV-NZSAHSFTSA-N 2 1 345.487 1.859 20 0 EDADMP C[NH+](C)CCOc1cnccc1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000359724391 445394703 /nfs/dbraw/zinc/39/47/03/445394703.db2.gz MBSAAAJIKCIONG-UHFFFAOYSA-N 2 1 347.463 1.012 20 0 EDADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354920731 445433801 /nfs/dbraw/zinc/43/38/01/445433801.db2.gz KOYQYUYLHFGRDG-KGLIPLIRSA-N 2 1 333.415 1.281 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362553950 445435927 /nfs/dbraw/zinc/43/59/27/445435927.db2.gz QXHCMAWPTLPPLP-ZIAGYGMSSA-N 2 1 342.447 1.723 20 0 EDADMP COC(=O)CCCCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000348917976 445440126 /nfs/dbraw/zinc/44/01/26/445440126.db2.gz AMGPVXYOMMVNOJ-UHFFFAOYSA-N 2 1 335.452 1.051 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCO)CC2CCCCC2)CC1 ZINC000362596547 445456198 /nfs/dbraw/zinc/45/61/98/445456198.db2.gz OGCICTPJNAXJCS-UHFFFAOYSA-N 2 1 339.524 1.850 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000359857836 445462856 /nfs/dbraw/zinc/46/28/56/445462856.db2.gz PIEHZQKXPZYGON-CABCVRRESA-N 2 1 336.480 1.561 20 0 EDADMP CC[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000357250015 445507549 /nfs/dbraw/zinc/50/75/49/445507549.db2.gz SWSIOXNCGQEGLY-SNRMKQJTSA-N 2 1 345.487 1.638 20 0 EDADMP CC[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000357250015 445507551 /nfs/dbraw/zinc/50/75/51/445507551.db2.gz SWSIOXNCGQEGLY-SNRMKQJTSA-N 2 1 345.487 1.638 20 0 EDADMP COC[C@]1(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000357272468 445518886 /nfs/dbraw/zinc/51/88/86/445518886.db2.gz MFRSMGCAWZICBM-UYAOXDASSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000352339971 445521481 /nfs/dbraw/zinc/52/14/81/445521481.db2.gz JZJQWDMUFNDXJK-WMZOPIPTSA-N 2 1 332.492 1.895 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000352339971 445521484 /nfs/dbraw/zinc/52/14/84/445521484.db2.gz JZJQWDMUFNDXJK-WMZOPIPTSA-N 2 1 332.492 1.895 20 0 EDADMP C[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)[N@H+](C)Cc1ccccc1 ZINC000352365344 445523361 /nfs/dbraw/zinc/52/33/61/445523361.db2.gz QMWCERUMWUIXPS-MRXNPFEDSA-N 2 1 341.459 2.246 20 0 EDADMP C[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)[N@@H+](C)Cc1ccccc1 ZINC000352365344 445523364 /nfs/dbraw/zinc/52/33/64/445523364.db2.gz QMWCERUMWUIXPS-MRXNPFEDSA-N 2 1 341.459 2.246 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000359914876 445486334 /nfs/dbraw/zinc/48/63/34/445486334.db2.gz BXTFJTKGCFXRCZ-OAHLLOKOSA-N 2 1 336.484 1.357 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000359919845 445488839 /nfs/dbraw/zinc/48/88/39/445488839.db2.gz WXRZGWPSQFSDDV-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](C)C1 ZINC000359926716 445492048 /nfs/dbraw/zinc/49/20/48/445492048.db2.gz WBLHFIZVUJWIBE-HRCADAONSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000359926716 445492051 /nfs/dbraw/zinc/49/20/51/445492051.db2.gz WBLHFIZVUJWIBE-HRCADAONSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000359926716 445492054 /nfs/dbraw/zinc/49/20/54/445492054.db2.gz WBLHFIZVUJWIBE-HRCADAONSA-N 2 1 328.501 1.203 20 0 EDADMP O=C1CNCCN1[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000362673563 445492108 /nfs/dbraw/zinc/49/21/08/445492108.db2.gz OXQCTQQFQXZTIJ-BCMPFUBYSA-N 2 1 335.398 1.874 20 0 EDADMP O=C1CNCCN1[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000362673568 445492261 /nfs/dbraw/zinc/49/22/61/445492261.db2.gz OXQCTQQFQXZTIJ-VQRJYJFOSA-N 2 1 335.398 1.874 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000357240037 445500782 /nfs/dbraw/zinc/50/07/82/445500782.db2.gz LCKNUTNDVLVJLB-PKOBYXMFSA-N 2 1 336.524 1.300 20 0 EDADMP C[C@H](C[NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000357249321 445506332 /nfs/dbraw/zinc/50/63/32/445506332.db2.gz RXHHIIDGKCAEEM-CQSZACIVSA-N 2 1 338.883 1.563 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000362870511 445590189 /nfs/dbraw/zinc/59/01/89/445590189.db2.gz DPGWEVLDJLGUKX-RTBURBONSA-N 2 1 343.471 1.875 20 0 EDADMP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000356038615 445582980 /nfs/dbraw/zinc/58/29/80/445582980.db2.gz MQJNBTBRYYCXSK-GOEBONIOSA-N 2 1 332.448 1.472 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000356038615 445582984 /nfs/dbraw/zinc/58/29/84/445582984.db2.gz MQJNBTBRYYCXSK-GOEBONIOSA-N 2 1 332.448 1.472 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)C[NH+]1CCOCC1 ZINC000353522179 445641116 /nfs/dbraw/zinc/64/11/16/445641116.db2.gz FUUSENQJEZNBHP-IKGGRYGDSA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)[C@@H](C)COC ZINC000360157690 445601155 /nfs/dbraw/zinc/60/11/55/445601155.db2.gz VUBCHIOWSZNABM-GVDBMIGSSA-N 2 1 327.513 1.780 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@@H]2CC)[C@@H](C)C1 ZINC000353458246 445610941 /nfs/dbraw/zinc/61/09/41/445610941.db2.gz IUIPLBINULIKGP-HZMVEIRTSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000353478117 445620969 /nfs/dbraw/zinc/62/09/69/445620969.db2.gz SGKURVPKKRSIDB-KRWDZBQOSA-N 2 1 340.512 1.351 20 0 EDADMP CC(C)c1cc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000360217132 445634569 /nfs/dbraw/zinc/63/45/69/445634569.db2.gz DFBQTKZDGMLJEX-GASCZTMLSA-N 2 1 335.496 2.577 20 0 EDADMP CSC1(CNC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC[NH+](C)CC1 ZINC000357943117 445595221 /nfs/dbraw/zinc/59/52/21/445595221.db2.gz SIBQNPXNYBCXPZ-KBPBESRZSA-N 2 1 328.526 1.596 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1CC ZINC000353426263 445595445 /nfs/dbraw/zinc/59/54/45/445595445.db2.gz IWAHPYJILGYUNI-FGTMMUONSA-N 2 1 337.508 1.581 20 0 EDADMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1(C(=O)OC)CCC1 ZINC000353553117 445653632 /nfs/dbraw/zinc/65/36/32/445653632.db2.gz QCEFLUXCAGRUKH-HUUCEWRRSA-N 2 1 339.480 1.285 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000349808140 445685320 /nfs/dbraw/zinc/68/53/20/445685320.db2.gz PWXFGWXWWQWZSA-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)CC(C)C ZINC000358658443 445697617 /nfs/dbraw/zinc/69/76/17/445697617.db2.gz DZIAEKHVNSJGNZ-WBVHZDCISA-N 2 1 328.501 1.109 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)C1 ZINC000356290087 445720479 /nfs/dbraw/zinc/72/04/79/445720479.db2.gz XJJFNNIJHKAHOH-IBGZPJMESA-N 2 1 349.519 1.966 20 0 EDADMP CN1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2C1 ZINC000349878255 445709125 /nfs/dbraw/zinc/70/91/25/445709125.db2.gz VIMZWOHGNOALJT-IRXDYDNUSA-N 2 1 342.443 1.314 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[NH+]4CCC[C@H]4C3)cc2C1 ZINC000349878255 445709128 /nfs/dbraw/zinc/70/91/28/445709128.db2.gz VIMZWOHGNOALJT-IRXDYDNUSA-N 2 1 342.443 1.314 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[NH+]4CCC[C@H]4C3)cc2C1 ZINC000349878255 445709131 /nfs/dbraw/zinc/70/91/31/445709131.db2.gz VIMZWOHGNOALJT-IRXDYDNUSA-N 2 1 342.443 1.314 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2C1 ZINC000349878255 445709136 /nfs/dbraw/zinc/70/91/36/445709136.db2.gz VIMZWOHGNOALJT-IRXDYDNUSA-N 2 1 342.443 1.314 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2C1 ZINC000349878255 445709140 /nfs/dbraw/zinc/70/91/40/445709140.db2.gz VIMZWOHGNOALJT-IRXDYDNUSA-N 2 1 342.443 1.314 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363179038 445710007 /nfs/dbraw/zinc/71/00/07/445710007.db2.gz CZMIIAKDMQFWPM-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363179038 445710009 /nfs/dbraw/zinc/71/00/09/445710009.db2.gz CZMIIAKDMQFWPM-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCNc2ccc3ccccc3n2)C1 ZINC000353818787 445770124 /nfs/dbraw/zinc/77/01/24/445770124.db2.gz VXCMTOFKKYMSGX-QGZVFWFLSA-N 2 1 342.443 1.872 20 0 EDADMP CC(C)N1CCO[C@@H](C(=O)NCCNc2ccc3ccccc3n2)C1 ZINC000353818787 445770127 /nfs/dbraw/zinc/77/01/27/445770127.db2.gz VXCMTOFKKYMSGX-QGZVFWFLSA-N 2 1 342.443 1.872 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000350118024 445772990 /nfs/dbraw/zinc/77/29/90/445772990.db2.gz OSGGCZOMHPRMMB-IXDOHACOSA-N 2 1 340.512 1.659 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000350118024 445772996 /nfs/dbraw/zinc/77/29/96/445772996.db2.gz OSGGCZOMHPRMMB-IXDOHACOSA-N 2 1 340.512 1.659 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+](C)C2CCCCC2)C1 ZINC000349932496 445724616 /nfs/dbraw/zinc/72/46/16/445724616.db2.gz JJLXGKZRAGVBNA-OAHLLOKOSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCC[N@H+](C)C2CCCCC2)C1 ZINC000349932496 445724618 /nfs/dbraw/zinc/72/46/18/445724618.db2.gz JJLXGKZRAGVBNA-OAHLLOKOSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+](C)C2CCCCC2)C1 ZINC000349932496 445724620 /nfs/dbraw/zinc/72/46/20/445724620.db2.gz JJLXGKZRAGVBNA-OAHLLOKOSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)[N@@H+](C)C1CC1 ZINC000356328209 445736859 /nfs/dbraw/zinc/73/68/59/445736859.db2.gz DRJGKFYYCDWUPO-HNNXBMFYSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H](CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000358722427 445742484 /nfs/dbraw/zinc/74/24/84/445742484.db2.gz ODLUVBQVMGVOJD-LPHOPBHVSA-N 2 1 348.491 1.263 20 0 EDADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358723026 445743006 /nfs/dbraw/zinc/74/30/06/445743006.db2.gz OXXVUZFVVCKMQG-HNAYVOBHSA-N 2 1 348.491 1.482 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000350151947 445780748 /nfs/dbraw/zinc/78/07/48/445780748.db2.gz JGOULZBYHLVPRI-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000350151947 445780751 /nfs/dbraw/zinc/78/07/51/445780751.db2.gz JGOULZBYHLVPRI-GOSISDBHSA-N 2 1 333.476 1.736 20 0 EDADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000358809019 445786522 /nfs/dbraw/zinc/78/65/22/445786522.db2.gz SZOLVTSBLJNXQI-RCCFBDPRSA-N 2 1 349.523 1.035 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCNc2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC000358828185 445796831 /nfs/dbraw/zinc/79/68/31/445796831.db2.gz SGYWYEZTUNKGNY-SJLPKXTDSA-N 2 1 325.460 2.531 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCNc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC000358828185 445796833 /nfs/dbraw/zinc/79/68/33/445796833.db2.gz SGYWYEZTUNKGNY-SJLPKXTDSA-N 2 1 325.460 2.531 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)CC(C)(C)C ZINC000361521786 445801982 /nfs/dbraw/zinc/80/19/82/445801982.db2.gz IWHLZJPMWFNSKW-INIZCTEOSA-N 2 1 327.513 1.827 20 0 EDADMP CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CC(C)(C)C ZINC000361521786 445801987 /nfs/dbraw/zinc/80/19/87/445801987.db2.gz IWHLZJPMWFNSKW-INIZCTEOSA-N 2 1 327.513 1.827 20 0 EDADMP CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)CC(C)(C)C ZINC000361521786 445801991 /nfs/dbraw/zinc/80/19/91/445801991.db2.gz IWHLZJPMWFNSKW-INIZCTEOSA-N 2 1 327.513 1.827 20 0 EDADMP C[C@H]1C[C@H](C(=O)NCc2ccncc2OCCC[NH+](C)C)CC[N@H+]1C ZINC000356479896 445813834 /nfs/dbraw/zinc/81/38/34/445813834.db2.gz QLUIVMHLIRTSPV-JKSUJKDBSA-N 2 1 348.491 1.759 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000359002356 445882680 /nfs/dbraw/zinc/88/26/80/445882680.db2.gz OCTVNCASMNPXLT-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000359002356 445882685 /nfs/dbraw/zinc/88/26/85/445882685.db2.gz OCTVNCASMNPXLT-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)[C@H](C)C1 ZINC000353979487 445837889 /nfs/dbraw/zinc/83/78/89/445837889.db2.gz QZGQJNDXIRBFMV-AJYUKVHDSA-N 2 1 336.524 1.390 20 0 EDADMP COc1cc2[nH+]c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)nc(N)c2cc1OC ZINC000363514984 445839920 /nfs/dbraw/zinc/83/99/20/445839920.db2.gz AMMHWCFYOXVGQK-VXGBXAGGSA-N 2 1 343.431 1.690 20 0 EDADMP COc1cc2[nH+]c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)nc(N)c2cc1OC ZINC000363514984 445839924 /nfs/dbraw/zinc/83/99/24/445839924.db2.gz AMMHWCFYOXVGQK-VXGBXAGGSA-N 2 1 343.431 1.690 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)C(C)C ZINC000354004068 445848788 /nfs/dbraw/zinc/84/87/88/445848788.db2.gz QKSZLKASLXDHKF-IRXDYDNUSA-N 2 1 342.528 1.592 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N1CC[NH+](C[C@@H](C)O)CC1)C(C)C ZINC000354007714 445851718 /nfs/dbraw/zinc/85/17/18/445851718.db2.gz QTBJBNHGYHTDEZ-MRXNPFEDSA-N 2 1 328.501 1.203 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000361626394 445854868 /nfs/dbraw/zinc/85/48/68/445854868.db2.gz XPCHXSRAXRVCCI-HXUWFJFHSA-N 2 1 345.487 1.472 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363662280 445866268 /nfs/dbraw/zinc/86/62/68/445866268.db2.gz MWEZJSKUPGGXPI-WNRNVDISSA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363662280 445866273 /nfs/dbraw/zinc/86/62/73/445866273.db2.gz MWEZJSKUPGGXPI-WNRNVDISSA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363662280 445866276 /nfs/dbraw/zinc/86/62/76/445866276.db2.gz MWEZJSKUPGGXPI-WNRNVDISSA-N 2 1 337.508 1.866 20 0 EDADMP CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000361753230 445916952 /nfs/dbraw/zinc/91/69/52/445916952.db2.gz HEHCYMDDRIXZMX-BRWVUGGUSA-N 2 1 341.496 1.007 20 0 EDADMP CCC[NH+]1CCC(N2CC[NH+](C[C@H]3CC4(CC4)C(=O)O3)CC2)CC1 ZINC000372986560 445960548 /nfs/dbraw/zinc/96/05/48/445960548.db2.gz XXOQKQVSJATNPL-QGZVFWFLSA-N 2 1 335.492 1.574 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373059883 445999717 /nfs/dbraw/zinc/99/97/17/445999717.db2.gz VRJOWALTAFUOHS-GUDVDZBRSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373059883 445999721 /nfs/dbraw/zinc/99/97/21/445999721.db2.gz VRJOWALTAFUOHS-GUDVDZBRSA-N 2 1 343.471 1.488 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000354208040 446001289 /nfs/dbraw/zinc/00/12/89/446001289.db2.gz NMLHBOTXBGPWPD-SJLPKXTDSA-N 2 1 338.540 1.780 20 0 EDADMP C[C@@]1(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CCC[NH2+]C1 ZINC000583321183 326049981 /nfs/dbraw/zinc/04/99/81/326049981.db2.gz PJVGGALQVVEAFO-PKOBYXMFSA-N 2 1 330.476 1.800 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC[C@H](C)O)CC2)CC1 ZINC000584003803 326182848 /nfs/dbraw/zinc/18/28/48/326182848.db2.gz QIVIUTNGRFJOKA-HNNXBMFYSA-N 2 1 325.497 1.460 20 0 EDADMP C[N@@H+](C[C@H](O)CNCc1ccccc1CN1CCOCC1)C1CC1 ZINC000584108117 326200453 /nfs/dbraw/zinc/20/04/53/326200453.db2.gz NFAHMKXCBPGHCR-LJQANCHMSA-N 3 1 333.476 1.064 20 0 EDADMP Cc1cccc(OCCCNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000351487557 446088554 /nfs/dbraw/zinc/08/85/54/446088554.db2.gz CLHHHGJYWNCAOT-SZMVWBNQSA-N 2 1 331.460 1.549 20 0 EDADMP Cc1cccc(OCCCNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000351487557 446088555 /nfs/dbraw/zinc/08/85/55/446088555.db2.gz CLHHHGJYWNCAOT-SZMVWBNQSA-N 2 1 331.460 1.549 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000359241640 446073919 /nfs/dbraw/zinc/07/39/19/446073919.db2.gz PLPFYOKDNFPGSX-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351474119 446076030 /nfs/dbraw/zinc/07/60/30/446076030.db2.gz FIYIOMJEQGOIBP-CGTJXYLNSA-N 2 1 331.460 1.583 20 0 EDADMP CN(CCCOc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351474119 446076039 /nfs/dbraw/zinc/07/60/39/446076039.db2.gz FIYIOMJEQGOIBP-CGTJXYLNSA-N 2 1 331.460 1.583 20 0 EDADMP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351480510 446081147 /nfs/dbraw/zinc/08/11/47/446081147.db2.gz VLSGAIDWNJCMRR-SQWLQELKSA-N 2 1 335.423 1.332 20 0 EDADMP CN(CCOc1ccccc1F)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351480510 446081150 /nfs/dbraw/zinc/08/11/50/446081150.db2.gz VLSGAIDWNJCMRR-SQWLQELKSA-N 2 1 335.423 1.332 20 0 EDADMP Cn1cnc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000356874457 446086061 /nfs/dbraw/zinc/08/60/61/446086061.db2.gz QGXNZCRGWPIHEK-FGTMMUONSA-N 2 1 325.460 1.858 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351496332 446101900 /nfs/dbraw/zinc/10/19/00/446101900.db2.gz RCBIWESHQYCPGZ-OEAJRASXSA-N 2 1 330.432 1.070 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351496332 446101907 /nfs/dbraw/zinc/10/19/07/446101907.db2.gz RCBIWESHQYCPGZ-OEAJRASXSA-N 2 1 330.432 1.070 20 0 EDADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351497567 446103292 /nfs/dbraw/zinc/10/32/92/446103292.db2.gz UKTPLKBNMZYRNU-GFQSEFKGSA-N 2 1 334.395 1.531 20 0 EDADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351497567 446103299 /nfs/dbraw/zinc/10/32/99/446103299.db2.gz UKTPLKBNMZYRNU-GFQSEFKGSA-N 2 1 334.395 1.531 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000366257022 446110534 /nfs/dbraw/zinc/11/05/34/446110534.db2.gz RAYIFQIHWRGFTP-NVXWUHKLSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCS(=O)(=O)CC1 ZINC000354333746 446119821 /nfs/dbraw/zinc/11/98/21/446119821.db2.gz JQQIAYHIGBBBLV-HOCLYGCPSA-N 2 1 332.510 1.026 20 0 EDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)[C@H]1C ZINC000354335000 446120645 /nfs/dbraw/zinc/12/06/45/446120645.db2.gz PMSPNWDZJLNCKC-QAETUUGQSA-N 2 1 326.481 1.791 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000359356054 446169979 /nfs/dbraw/zinc/16/99/79/446169979.db2.gz YWMSJSBNEBUDCW-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365413289 446195440 /nfs/dbraw/zinc/19/54/40/446195440.db2.gz XJSSGMOCSLKLMF-CGZBRXJRSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[N@H+]1C1CC1 ZINC000370323246 446229863 /nfs/dbraw/zinc/22/98/63/446229863.db2.gz DGVMIZNLXQRWKI-NUJGCVRESA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[NH+]1C1CC1 ZINC000370323246 446229867 /nfs/dbraw/zinc/22/98/67/446229867.db2.gz DGVMIZNLXQRWKI-NUJGCVRESA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[NH+]1C1CC1 ZINC000370323246 446229874 /nfs/dbraw/zinc/22/98/74/446229874.db2.gz DGVMIZNLXQRWKI-NUJGCVRESA-N 2 1 349.523 1.033 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000365525397 446240594 /nfs/dbraw/zinc/24/05/94/446240594.db2.gz HQMDUGPITWJFDY-FGTMMUONSA-N 2 1 337.508 1.866 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000365528833 446241676 /nfs/dbraw/zinc/24/16/76/446241676.db2.gz RQSMYHDZMRRRNI-QGZVFWFLSA-N 2 1 330.476 1.704 20 0 EDADMP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)cc2)[nH]1 ZINC000365558991 446254454 /nfs/dbraw/zinc/25/44/54/446254454.db2.gz UQEOVJJYIRRLEJ-DZGCQCFKSA-N 2 1 340.431 1.743 20 0 EDADMP C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000362197877 446257698 /nfs/dbraw/zinc/25/76/98/446257698.db2.gz DKUCUTGRPZGHIN-QRVBRYPASA-N 2 1 339.524 1.578 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCCN(c3ccccn3)C2)[C@H](C)C1 ZINC000373574623 446267270 /nfs/dbraw/zinc/26/72/70/446267270.db2.gz IMDDLBXMEBATFG-IKGGRYGDSA-N 2 1 346.475 1.212 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCCN(c3ccccn3)C2)[C@H](C)C1 ZINC000373574623 446267273 /nfs/dbraw/zinc/26/72/73/446267273.db2.gz IMDDLBXMEBATFG-IKGGRYGDSA-N 2 1 346.475 1.212 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000365694712 446304600 /nfs/dbraw/zinc/30/46/00/446304600.db2.gz FPNQMNWHYUDALT-MSOLQXFVSA-N 2 1 346.475 1.131 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000365694712 446304604 /nfs/dbraw/zinc/30/46/04/446304604.db2.gz FPNQMNWHYUDALT-MSOLQXFVSA-N 2 1 346.475 1.131 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000365694712 446304610 /nfs/dbraw/zinc/30/46/10/446304610.db2.gz FPNQMNWHYUDALT-MSOLQXFVSA-N 2 1 346.475 1.131 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000365694712 446304613 /nfs/dbraw/zinc/30/46/13/446304613.db2.gz FPNQMNWHYUDALT-MSOLQXFVSA-N 2 1 346.475 1.131 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@H+]1CCc2ccccc2C1 ZINC000417338813 446346928 /nfs/dbraw/zinc/34/69/28/446346928.db2.gz KPLYYDDLSUFYQW-KYJSFNMBSA-N 2 1 328.460 1.437 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000365720639 446314664 /nfs/dbraw/zinc/31/46/64/446314664.db2.gz VLXNDYMQYRSXIW-GOSISDBHSA-N 2 1 346.475 1.273 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000365720639 446314667 /nfs/dbraw/zinc/31/46/67/446314667.db2.gz VLXNDYMQYRSXIW-GOSISDBHSA-N 2 1 346.475 1.273 20 0 EDADMP CC1(C)C[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C(C)(C)O1 ZINC000370616078 446359446 /nfs/dbraw/zinc/35/94/46/446359446.db2.gz NOYFZNUCYZQFPJ-HOTGVXAUSA-N 2 1 325.497 1.329 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417541805 446363947 /nfs/dbraw/zinc/36/39/47/446363947.db2.gz YYAMCKXAAAWMFK-IYBDPMFKSA-N 2 1 340.512 1.789 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@](O)(C2CC2)C1)c1ccccc1 ZINC000365851894 446370588 /nfs/dbraw/zinc/37/05/88/446370588.db2.gz XIZHTRMCTDEOGJ-HKUYNNGSSA-N 2 1 331.460 1.252 20 0 EDADMP CC(C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](Oc3ccncc3)C2)C1=O ZINC000370649129 446371975 /nfs/dbraw/zinc/37/19/75/446371975.db2.gz WZIOVJUUPJXZMV-CVEARBPZSA-N 2 1 331.416 1.708 20 0 EDADMP CC(C)CCN1C(=O)C[C@H]([N@H+]2CC[C@@H](Oc3ccncc3)C2)C1=O ZINC000370649129 446371980 /nfs/dbraw/zinc/37/19/80/446371980.db2.gz WZIOVJUUPJXZMV-CVEARBPZSA-N 2 1 331.416 1.708 20 0 EDADMP Cn1nnnc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370649050 446372463 /nfs/dbraw/zinc/37/24/63/446372463.db2.gz BJYYTPZRRGSNHO-UHFFFAOYSA-N 2 1 326.448 1.698 20 0 EDADMP Cn1nnnc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370649050 446372466 /nfs/dbraw/zinc/37/24/66/446372466.db2.gz BJYYTPZRRGSNHO-UHFFFAOYSA-N 2 1 326.448 1.698 20 0 EDADMP Cn1nnnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370649050 446372469 /nfs/dbraw/zinc/37/24/69/446372469.db2.gz BJYYTPZRRGSNHO-UHFFFAOYSA-N 2 1 326.448 1.698 20 0 EDADMP CC[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417897444 446379183 /nfs/dbraw/zinc/37/91/83/446379183.db2.gz QLOGQVZOZFTQCO-SZMVWBNQSA-N 2 1 348.491 1.655 20 0 EDADMP CC[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417897444 446379188 /nfs/dbraw/zinc/37/91/88/446379188.db2.gz QLOGQVZOZFTQCO-SZMVWBNQSA-N 2 1 348.491 1.655 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000370670541 446379934 /nfs/dbraw/zinc/37/99/34/446379934.db2.gz DLYNXHLHPIJEAI-UMGGQSCQSA-N 2 1 348.487 1.905 20 0 EDADMP C[C@H]1C[C@H](CCNC(=O)N(C)C2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000417922100 446387233 /nfs/dbraw/zinc/38/72/33/446387233.db2.gz IQLDARDHHKVFQZ-RDJZCZTQSA-N 2 1 330.476 1.900 20 0 EDADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000423124186 446430779 /nfs/dbraw/zinc/43/07/79/446430779.db2.gz MFUXFTVSLIPJJA-RBUKOAKNSA-N 2 1 348.491 1.269 20 0 EDADMP CC[NH2+]CCNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418081306 446435305 /nfs/dbraw/zinc/43/53/05/446435305.db2.gz UZJUNYDPDJKTKP-MRXNPFEDSA-N 2 1 336.505 1.513 20 0 EDADMP CC[NH2+]CCNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418081306 446435312 /nfs/dbraw/zinc/43/53/12/446435312.db2.gz UZJUNYDPDJKTKP-MRXNPFEDSA-N 2 1 336.505 1.513 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418101716 446439773 /nfs/dbraw/zinc/43/97/73/446439773.db2.gz GLIPVRRSAQPASH-CGTJXYLNSA-N 2 1 330.476 1.887 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000418172104 446445715 /nfs/dbraw/zinc/44/57/15/446445715.db2.gz OZTGRDAEXIHSSB-OAHLLOKOSA-N 2 1 347.507 1.532 20 0 EDADMP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423191482 446448979 /nfs/dbraw/zinc/44/89/79/446448979.db2.gz UFLXZDHEWHEJIL-ICSRJNTNSA-N 3 1 330.520 1.782 20 0 EDADMP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423191482 446448983 /nfs/dbraw/zinc/44/89/83/446448983.db2.gz UFLXZDHEWHEJIL-ICSRJNTNSA-N 2 1 330.520 1.782 20 0 EDADMP Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)n1 ZINC000411145991 446409581 /nfs/dbraw/zinc/40/95/81/446409581.db2.gz DGTISEFYLHRDPA-HUUCEWRRSA-N 2 1 330.432 1.688 20 0 EDADMP C[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000417998370 446411254 /nfs/dbraw/zinc/41/12/54/446411254.db2.gz UXNVFPGZLGDEPQ-DLBZAZTESA-N 2 1 332.448 1.492 20 0 EDADMP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000420306004 446470146 /nfs/dbraw/zinc/47/01/46/446470146.db2.gz HEWCBUHARSDQJW-AWEZNQCLSA-N 2 1 333.432 1.863 20 0 EDADMP COC(=O)c1ccc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420309235 446471072 /nfs/dbraw/zinc/47/10/72/446471072.db2.gz DQVJTYXHSAXEAL-INIZCTEOSA-N 2 1 345.443 1.733 20 0 EDADMP COC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000420310345 446473653 /nfs/dbraw/zinc/47/36/53/446473653.db2.gz PQOMYNZDZAXPKM-BPUTZDHNSA-N 2 1 331.416 1.471 20 0 EDADMP COC(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000420310345 446473655 /nfs/dbraw/zinc/47/36/55/446473655.db2.gz PQOMYNZDZAXPKM-BPUTZDHNSA-N 2 1 331.416 1.471 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000420312187 446475460 /nfs/dbraw/zinc/47/54/60/446475460.db2.gz RTAOYQOHGHCFAJ-XEZPLFJOSA-N 2 1 333.432 1.147 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000420312187 446475469 /nfs/dbraw/zinc/47/54/69/446475469.db2.gz RTAOYQOHGHCFAJ-XEZPLFJOSA-N 2 1 333.432 1.147 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC4(CCOCC4)CC3)cn2)CC1 ZINC000367033227 446477500 /nfs/dbraw/zinc/47/75/00/446477500.db2.gz JSGSPNBOIJTHDJ-UHFFFAOYSA-N 2 1 345.491 1.621 20 0 EDADMP [NH3+]C1(CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CCCCCC1 ZINC000418282912 446482610 /nfs/dbraw/zinc/48/26/10/446482610.db2.gz IPCAPBWROBOFNV-OAHLLOKOSA-N 2 1 326.485 1.184 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000420318096 446482945 /nfs/dbraw/zinc/48/29/45/446482945.db2.gz VTGUXBGMGZSJDI-SOLBZPMBSA-N 2 1 331.460 1.505 20 0 EDADMP [NH3+]CC1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000367041564 446484506 /nfs/dbraw/zinc/48/45/06/446484506.db2.gz YFCCOTFESQQTAI-SFHVURJKSA-N 2 1 345.487 1.770 20 0 EDADMP CC[C@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CC[N@H+]1CCOC ZINC000418299421 446491459 /nfs/dbraw/zinc/49/14/59/446491459.db2.gz SPDZJRNTSDFDIW-HNNXBMFYSA-N 2 1 326.485 1.400 20 0 EDADMP C[C@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000423329009 446488956 /nfs/dbraw/zinc/48/89/56/446488956.db2.gz MOXZKQBPKJSGGD-OAGGEKHMSA-N 2 1 347.507 1.737 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000423367997 446503240 /nfs/dbraw/zinc/50/32/40/446503240.db2.gz RUCLYYQOECGNNS-CQSZACIVSA-N 2 1 336.484 1.257 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418332357 446503782 /nfs/dbraw/zinc/50/37/82/446503782.db2.gz FHISSGKGZAKNRZ-YTQUADARSA-N 2 1 342.487 1.759 20 0 EDADMP CC(C)[C@H](O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000432781075 446503971 /nfs/dbraw/zinc/50/39/71/446503971.db2.gz MPCIHOGEPBHRKK-JFIYKMOQSA-N 2 1 328.497 1.594 20 0 EDADMP Cc1cccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)n12 ZINC000420338233 446507137 /nfs/dbraw/zinc/50/71/37/446507137.db2.gz XOGMDRRJWXDKKE-HZPDHXFCSA-N 2 1 326.444 1.824 20 0 EDADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000420340667 446511085 /nfs/dbraw/zinc/51/10/85/446511085.db2.gz NCWLDGKXUBSEIV-LSDHHAIUSA-N 2 1 347.459 1.964 20 0 EDADMP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCC[NH3+] ZINC000418354510 446511932 /nfs/dbraw/zinc/51/19/32/446511932.db2.gz OQTUZNCNFRKGSB-QAPCUYQASA-N 2 1 347.507 1.981 20 0 EDADMP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCC[NH3+] ZINC000418354510 446511937 /nfs/dbraw/zinc/51/19/37/446511937.db2.gz OQTUZNCNFRKGSB-QAPCUYQASA-N 2 1 347.507 1.981 20 0 EDADMP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420330450 446498405 /nfs/dbraw/zinc/49/84/05/446498405.db2.gz ICCSAUNEQARRDT-HDICACEKSA-N 2 1 345.487 1.975 20 0 EDADMP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(S(N)(=O)=O)cc32)C[C@@]1(C)C[NH3+] ZINC000423516739 446559363 /nfs/dbraw/zinc/55/93/63/446559363.db2.gz XGILBIUALFPJRG-OAUYIBNBSA-N 2 1 337.489 1.628 20 0 EDADMP C[C@@H]1C[N@H+]([C@H]2CCCc3ccc(S(N)(=O)=O)cc32)C[C@@]1(C)C[NH3+] ZINC000423516739 446559369 /nfs/dbraw/zinc/55/93/69/446559369.db2.gz XGILBIUALFPJRG-OAUYIBNBSA-N 2 1 337.489 1.628 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](CCCCN2C(=O)c3ccccc3C2=O)CCCO1 ZINC000420382462 446559536 /nfs/dbraw/zinc/55/95/36/446559536.db2.gz DMZZPSDRVJTESF-AWEZNQCLSA-N 2 1 331.416 1.112 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)CCCO1 ZINC000420382462 446559544 /nfs/dbraw/zinc/55/95/44/446559544.db2.gz DMZZPSDRVJTESF-AWEZNQCLSA-N 2 1 331.416 1.112 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](COC)c2ccc(F)cc2)CC1 ZINC000411479283 446562866 /nfs/dbraw/zinc/56/28/66/446562866.db2.gz VRBPMJVIUGHNIY-KRWDZBQOSA-N 2 1 337.439 1.703 20 0 EDADMP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420346984 446520690 /nfs/dbraw/zinc/52/06/90/446520690.db2.gz FGYKRXHSRRXBIQ-GDBMZVCRSA-N 2 1 348.516 1.715 20 0 EDADMP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420346984 446520697 /nfs/dbraw/zinc/52/06/97/446520697.db2.gz FGYKRXHSRRXBIQ-GDBMZVCRSA-N 2 1 348.516 1.715 20 0 EDADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347281 446521435 /nfs/dbraw/zinc/52/14/35/446521435.db2.gz GHSMEMLJLFRGDM-ZBFHGGJFSA-N 2 1 334.439 1.441 20 0 EDADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347281 446521441 /nfs/dbraw/zinc/52/14/41/446521441.db2.gz GHSMEMLJLFRGDM-ZBFHGGJFSA-N 2 1 334.439 1.441 20 0 EDADMP [NH3+]C1CCC(NC(=O)N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000418382005 446522377 /nfs/dbraw/zinc/52/23/77/446522377.db2.gz HMCCEVDTEBBWQJ-UHFFFAOYSA-N 2 1 336.505 1.888 20 0 EDADMP CCc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420349670 446527373 /nfs/dbraw/zinc/52/73/73/446527373.db2.gz QATVXBMZNFJWNE-IBGZPJMESA-N 2 1 344.503 1.187 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418399899 446529762 /nfs/dbraw/zinc/52/97/62/446529762.db2.gz XPJGHZCNKXDDNB-CAOSSQGBSA-N 2 1 326.485 1.125 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418399899 446529772 /nfs/dbraw/zinc/52/97/72/446529772.db2.gz XPJGHZCNKXDDNB-CAOSSQGBSA-N 2 1 326.485 1.125 20 0 EDADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCCC1CCCCC1 ZINC000420350781 446530347 /nfs/dbraw/zinc/53/03/47/446530347.db2.gz UVDIWMILKPAOQO-GOSISDBHSA-N 2 1 336.524 1.443 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCCC1CCCCC1 ZINC000420350781 446530351 /nfs/dbraw/zinc/53/03/51/446530351.db2.gz UVDIWMILKPAOQO-GOSISDBHSA-N 2 1 336.524 1.443 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423426210 446530939 /nfs/dbraw/zinc/53/09/39/446530939.db2.gz HLKAKFMVNJBZHM-IRXDYDNUSA-N 2 1 347.459 1.247 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418401460 446530919 /nfs/dbraw/zinc/53/09/19/446530919.db2.gz GOXXSQMROWPKRD-UAGQMJEPSA-N 2 1 346.475 1.869 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCN(c3ccn(C)n3)C1=O)C2 ZINC000376490372 446531321 /nfs/dbraw/zinc/53/13/21/446531321.db2.gz GTNCACRPBBNPOF-UONOGXRCSA-N 2 1 328.420 1.025 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000420354458 446534165 /nfs/dbraw/zinc/53/41/65/446534165.db2.gz DCQJCGXTEYKZJR-OAHLLOKOSA-N 2 1 343.493 1.279 20 0 EDADMP C[N@@H+](CCNC(=O)c1cn(CCCC[NH3+])nn1)Cc1ccc(F)cc1 ZINC000423431566 446534609 /nfs/dbraw/zinc/53/46/09/446534609.db2.gz LVYKKXZGVOCSHW-UHFFFAOYSA-N 2 1 348.426 1.018 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433144046 446537773 /nfs/dbraw/zinc/53/77/73/446537773.db2.gz AYAPECNWMMJMGW-KRWDZBQOSA-N 3 1 347.507 1.812 20 0 EDADMP O=C(CC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21)N1CC[NH2+]CC1 ZINC000420362172 446541628 /nfs/dbraw/zinc/54/16/28/446541628.db2.gz APYUYFSPZUYXQA-INIZCTEOSA-N 2 1 341.459 1.323 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000375048957 446542719 /nfs/dbraw/zinc/54/27/19/446542719.db2.gz KVXCEASNQWDBMO-NVXWUHKLSA-N 2 1 331.460 1.793 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@]2(C)CCCO)CC1 ZINC000411443301 446547473 /nfs/dbraw/zinc/54/74/73/446547473.db2.gz RJEGDCYSOQNUMU-SFHVURJKSA-N 2 1 325.497 1.602 20 0 EDADMP CCC[C@@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)CC[N@H+]1CCOC ZINC000420370613 446549610 /nfs/dbraw/zinc/54/96/10/446549610.db2.gz JUWFDHQTOAWSOB-CYBMUJFWSA-N 2 1 325.457 1.196 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433227400 446551219 /nfs/dbraw/zinc/55/12/19/446551219.db2.gz RLLRDYITWUPGIG-UHFFFAOYSA-N 2 1 332.492 1.506 20 0 EDADMP CCC[NH2+]CCNC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418468132 446555050 /nfs/dbraw/zinc/55/50/50/446555050.db2.gz GLLAJJVLMWHFMX-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP CCC[NH2+]CCNC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418468132 446555054 /nfs/dbraw/zinc/55/50/54/446555054.db2.gz GLLAJJVLMWHFMX-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418601234 446610546 /nfs/dbraw/zinc/61/05/46/446610546.db2.gz UJATUAMJAKZSLR-JZXOWHBKSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418601234 446610551 /nfs/dbraw/zinc/61/05/51/446610551.db2.gz UJATUAMJAKZSLR-JZXOWHBKSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C[C@H]1C[NH3+] ZINC000420410772 446582969 /nfs/dbraw/zinc/58/29/69/446582969.db2.gz RKEVPACWTGUVON-HUUCEWRRSA-N 2 1 340.471 1.969 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C[C@H]1C[NH3+] ZINC000420410772 446582976 /nfs/dbraw/zinc/58/29/76/446582976.db2.gz RKEVPACWTGUVON-HUUCEWRRSA-N 2 1 340.471 1.969 20 0 EDADMP COCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420410133 446583561 /nfs/dbraw/zinc/58/35/61/446583561.db2.gz RBLFDXNENJHUGM-WBVHZDCISA-N 2 1 349.475 1.245 20 0 EDADMP COCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420410133 446583566 /nfs/dbraw/zinc/58/35/66/446583566.db2.gz RBLFDXNENJHUGM-WBVHZDCISA-N 2 1 349.475 1.245 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418546932 446588237 /nfs/dbraw/zinc/58/82/37/446588237.db2.gz IEMPEGQRQZOHMS-SQNIBIBYSA-N 2 1 346.475 1.063 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418563431 446596107 /nfs/dbraw/zinc/59/61/07/446596107.db2.gz HYRZHDQQUZUFMD-LSDHHAIUSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000418668822 446641984 /nfs/dbraw/zinc/64/19/84/446641984.db2.gz ITUGLHQQDISPBT-BGTYHANMSA-N 2 1 328.460 1.510 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000376721880 446678057 /nfs/dbraw/zinc/67/80/57/446678057.db2.gz RFFDUUMZHBNEIH-KRWDZBQOSA-N 2 1 331.460 1.145 20 0 EDADMP CCCNC(=O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371156583 446660055 /nfs/dbraw/zinc/66/00/55/446660055.db2.gz KPVVGZUFAYIDIR-UHFFFAOYSA-N 2 1 338.540 1.641 20 0 EDADMP CCOC(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000368136262 446661467 /nfs/dbraw/zinc/66/14/67/446661467.db2.gz UHORZKWRTHJMKB-OAHLLOKOSA-N 2 1 334.464 1.761 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCC[C@@H]4C[N@H+](C)CC[C@H]43)cn2)CC1 ZINC000368137279 446662555 /nfs/dbraw/zinc/66/25/55/446662555.db2.gz YZPDVCZHZCQDOR-QZTJIDSGSA-N 2 1 344.507 1.145 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)cn2)CC1 ZINC000368137279 446662561 /nfs/dbraw/zinc/66/25/61/446662561.db2.gz YZPDVCZHZCQDOR-QZTJIDSGSA-N 2 1 344.507 1.145 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCNCC3(F)F)CC[C@@H]21 ZINC000418748336 446668224 /nfs/dbraw/zinc/66/82/24/446668224.db2.gz BDOUGFVAEDZQMX-MCIONIFRSA-N 2 1 330.423 1.357 20 0 EDADMP C[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000368148143 446668940 /nfs/dbraw/zinc/66/89/40/446668940.db2.gz JRIRIPJGKWVGMI-MAUKXSAKSA-N 2 1 342.503 1.199 20 0 EDADMP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000368148143 446668942 /nfs/dbraw/zinc/66/89/42/446668942.db2.gz JRIRIPJGKWVGMI-MAUKXSAKSA-N 2 1 342.503 1.199 20 0 EDADMP C[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000368148143 446668946 /nfs/dbraw/zinc/66/89/46/446668946.db2.gz JRIRIPJGKWVGMI-MAUKXSAKSA-N 2 1 342.503 1.199 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000418632105 446622669 /nfs/dbraw/zinc/62/26/69/446622669.db2.gz YZFHHSSADMWSNA-LZWOXQAQSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000418632105 446622677 /nfs/dbraw/zinc/62/26/77/446622677.db2.gz YZFHHSSADMWSNA-LZWOXQAQSA-N 2 1 326.485 1.255 20 0 EDADMP C[NH+](C)C/C=C/C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371095531 446626898 /nfs/dbraw/zinc/62/68/98/446626898.db2.gz WESGPIWFVDAFPP-SNAWJCMRSA-N 3 1 336.524 1.417 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC[N@H+](C2CC2)C1 ZINC000418642200 446628961 /nfs/dbraw/zinc/62/89/61/446628961.db2.gz SVWLNNOTDIRUIK-DNVCBOLYSA-N 2 1 342.487 1.999 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418645001 446630378 /nfs/dbraw/zinc/63/03/78/446630378.db2.gz VQKMGNVHNREPME-SJLPKXTDSA-N 2 1 330.476 1.999 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[NH2+][C@H]3C)CC2)cn1 ZINC000423762545 446690453 /nfs/dbraw/zinc/69/04/53/446690453.db2.gz SPSVWVDQPZDTEG-RDJZCZTQSA-N 2 1 333.480 1.325 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[NH2+][C@H]3C)CC2)cn1 ZINC000423762545 446690459 /nfs/dbraw/zinc/69/04/59/446690459.db2.gz SPSVWVDQPZDTEG-RDJZCZTQSA-N 2 1 333.480 1.325 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000423770332 446696564 /nfs/dbraw/zinc/69/65/64/446696564.db2.gz DCEJJLZURHPXGN-MJGOQNOKSA-N 2 1 345.487 1.878 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423772147 446698033 /nfs/dbraw/zinc/69/80/33/446698033.db2.gz KMURAZVKNVBJLF-JTOWHCCKSA-N 2 1 325.497 1.756 20 0 EDADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000371251975 446716787 /nfs/dbraw/zinc/71/67/87/446716787.db2.gz RSUBKGGFKYBJGW-HZPDHXFCSA-N 2 1 348.491 1.929 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000423836689 446725204 /nfs/dbraw/zinc/72/52/04/446725204.db2.gz AKQNAHHMSKBMRY-QRVBRYPASA-N 2 1 345.487 1.782 20 0 EDADMP COCC[C@]1(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000423846365 446728768 /nfs/dbraw/zinc/72/87/68/446728768.db2.gz PBNHSZYVLOHDIW-QFBILLFUSA-N 2 1 333.476 1.639 20 0 EDADMP Cc1ccc([C@@H](O)C[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000375338674 446733853 /nfs/dbraw/zinc/73/38/53/446733853.db2.gz SJEOPQKVYLWSLQ-FQEVSTJZSA-N 2 1 347.503 1.368 20 0 EDADMP Cc1ccc([C@@H](O)C[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)cc1 ZINC000375338674 446733858 /nfs/dbraw/zinc/73/38/58/446733858.db2.gz SJEOPQKVYLWSLQ-FQEVSTJZSA-N 2 1 347.503 1.368 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CCC[N@H+]1C ZINC000423930102 446782215 /nfs/dbraw/zinc/78/22/15/446782215.db2.gz JTCILMMORKNMAT-BUIAKZPTSA-N 2 1 347.507 1.827 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000423934459 446785939 /nfs/dbraw/zinc/78/59/39/446785939.db2.gz VTDFUFRBFAUKQM-JENIJYKNSA-N 2 1 331.460 1.564 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000423934459 446785944 /nfs/dbraw/zinc/78/59/44/446785944.db2.gz VTDFUFRBFAUKQM-JENIJYKNSA-N 2 1 331.460 1.564 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412032995 446795403 /nfs/dbraw/zinc/79/54/03/446795403.db2.gz IDCJJUYUBSSRNI-PBWTXFEYSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000412032995 446795407 /nfs/dbraw/zinc/79/54/07/446795407.db2.gz IDCJJUYUBSSRNI-PBWTXFEYSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000412032995 446795410 /nfs/dbraw/zinc/79/54/10/446795410.db2.gz IDCJJUYUBSSRNI-PBWTXFEYSA-N 2 1 345.487 1.468 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(N3CCOCC3)CCCOC2)[C@@H](C)C1 ZINC000371285699 446743088 /nfs/dbraw/zinc/74/30/88/446743088.db2.gz VQBXTVSAWXCLDM-OKZBNKHCSA-N 2 1 325.497 1.188 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000418938453 446811286 /nfs/dbraw/zinc/81/12/86/446811286.db2.gz DUTXGTKCFFOFOH-OAHLLOKOSA-N 2 1 348.491 1.257 20 0 EDADMP CCOc1oc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)nc1C ZINC000368371238 446818193 /nfs/dbraw/zinc/81/81/93/446818193.db2.gz UKLYBFSXCXMFTJ-CYBMUJFWSA-N 2 1 336.436 1.280 20 0 EDADMP CCOc1oc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)nc1C ZINC000368371238 446818200 /nfs/dbraw/zinc/81/82/00/446818200.db2.gz UKLYBFSXCXMFTJ-CYBMUJFWSA-N 2 1 336.436 1.280 20 0 EDADMP CNC(=O)[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1c1cnn(C)c1 ZINC000375469644 446824469 /nfs/dbraw/zinc/82/44/69/446824469.db2.gz MLGKUFJBOOYWMS-ZACQAIPSSA-N 2 1 333.480 1.056 20 0 EDADMP CNC(=O)[C@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1c1cnn(C)c1 ZINC000375469644 446824475 /nfs/dbraw/zinc/82/44/75/446824475.db2.gz MLGKUFJBOOYWMS-ZACQAIPSSA-N 2 1 333.480 1.056 20 0 EDADMP CNC(=O)[C@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@@H]1c1cnn(C)c1 ZINC000375469644 446824478 /nfs/dbraw/zinc/82/44/78/446824478.db2.gz MLGKUFJBOOYWMS-ZACQAIPSSA-N 2 1 333.480 1.056 20 0 EDADMP CCc1nn(C)cc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371409292 446838133 /nfs/dbraw/zinc/83/81/33/446838133.db2.gz ZTWADZWPEWTNQY-HNNXBMFYSA-N 2 1 333.480 1.223 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000420767143 446805735 /nfs/dbraw/zinc/80/57/35/446805735.db2.gz UDHAKBPMPWJUDR-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000420767143 446805738 /nfs/dbraw/zinc/80/57/38/446805738.db2.gz UDHAKBPMPWJUDR-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000377008084 446856651 /nfs/dbraw/zinc/85/66/51/446856651.db2.gz STOVYZGEGKYHKL-QZTJIDSGSA-N 2 1 338.540 1.750 20 0 EDADMP CC(C)CN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C1CC[NH+](C)CC1 ZINC000368454124 446873090 /nfs/dbraw/zinc/87/30/90/446873090.db2.gz JKZQOAMXZTXGLK-QGZVFWFLSA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)CN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)C1CC[NH+](C)CC1 ZINC000368454124 446873096 /nfs/dbraw/zinc/87/30/96/446873096.db2.gz JKZQOAMXZTXGLK-QGZVFWFLSA-N 2 1 325.497 1.674 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NCC([NH3+])(CC)CC)c1 ZINC000419027775 446873545 /nfs/dbraw/zinc/87/35/45/446873545.db2.gz QGJUSGPUAGCYLH-UHFFFAOYSA-N 2 1 348.491 1.388 20 0 EDADMP CN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000412143481 446878497 /nfs/dbraw/zinc/87/84/97/446878497.db2.gz ZLKIZUVIOLSYQQ-HZPDHXFCSA-N 2 1 325.522 1.757 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412188275 446890128 /nfs/dbraw/zinc/89/01/28/446890128.db2.gz VWXIXFKBIAEELD-XOKHGSTOSA-N 2 1 337.533 1.803 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000442533980 446904566 /nfs/dbraw/zinc/90/45/66/446904566.db2.gz WRQMTXCSGJCVRZ-JKIFEVAISA-N 2 1 339.505 1.755 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000442533980 446904569 /nfs/dbraw/zinc/90/45/69/446904569.db2.gz WRQMTXCSGJCVRZ-JKIFEVAISA-N 2 1 339.505 1.755 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419113190 446932157 /nfs/dbraw/zinc/93/21/57/446932157.db2.gz QOYGAKLKVPFOAV-HNNXBMFYSA-N 2 1 348.491 1.066 20 0 EDADMP CSCCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000377118161 446931340 /nfs/dbraw/zinc/93/13/40/446931340.db2.gz ZHXYFQMPHWBYKJ-OAHLLOKOSA-N 2 1 331.526 1.144 20 0 EDADMP CSCCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000377118161 446931346 /nfs/dbraw/zinc/93/13/46/446931346.db2.gz ZHXYFQMPHWBYKJ-OAHLLOKOSA-N 2 1 331.526 1.144 20 0 EDADMP CSCCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000377118161 446931351 /nfs/dbraw/zinc/93/13/51/446931351.db2.gz ZHXYFQMPHWBYKJ-OAHLLOKOSA-N 2 1 331.526 1.144 20 0 EDADMP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000442756016 446953409 /nfs/dbraw/zinc/95/34/09/446953409.db2.gz DBECEVCPNHZIAD-QAPCUYQASA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)OCc1ccc(CNC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000442756016 446953415 /nfs/dbraw/zinc/95/34/15/446953415.db2.gz DBECEVCPNHZIAD-QAPCUYQASA-N 2 1 333.476 1.897 20 0 EDADMP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442762419 446955757 /nfs/dbraw/zinc/95/57/57/446955757.db2.gz QQZVFAXLNZYIDY-RYUDHWBXSA-N 2 1 325.840 1.634 20 0 EDADMP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442762419 446955760 /nfs/dbraw/zinc/95/57/60/446955760.db2.gz QQZVFAXLNZYIDY-RYUDHWBXSA-N 2 1 325.840 1.634 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000442762851 446956190 /nfs/dbraw/zinc/95/61/90/446956190.db2.gz FVUXDPYCORDUNF-HUUCEWRRSA-N 2 1 334.439 1.143 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000442762851 446956194 /nfs/dbraw/zinc/95/61/94/446956194.db2.gz FVUXDPYCORDUNF-HUUCEWRRSA-N 2 1 334.439 1.143 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000442763353 446956295 /nfs/dbraw/zinc/95/62/95/446956295.db2.gz ISOUQPWFEAPYBD-KGLIPLIRSA-N 2 1 326.462 1.528 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000442763353 446956300 /nfs/dbraw/zinc/95/63/00/446956300.db2.gz ISOUQPWFEAPYBD-KGLIPLIRSA-N 2 1 326.462 1.528 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454795224 446972638 /nfs/dbraw/zinc/97/26/38/446972638.db2.gz HFWJJFDIYRMMAA-XGXHKWSGSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454795224 446972646 /nfs/dbraw/zinc/97/26/46/446972646.db2.gz HFWJJFDIYRMMAA-XGXHKWSGSA-N 2 1 342.487 1.852 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443058086 447000565 /nfs/dbraw/zinc/00/05/65/447000565.db2.gz JCLFUHJHXAVQDX-CQSZACIVSA-N 2 1 335.448 1.381 20 0 EDADMP COc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375802674 447063525 /nfs/dbraw/zinc/06/35/25/447063525.db2.gz VQCDYMUFKJFVSS-KSZLIROESA-N 2 1 331.460 1.887 20 0 EDADMP C[N@@H+](C[C@](C)(O)c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375829842 447085070 /nfs/dbraw/zinc/08/50/70/447085070.db2.gz HTOBPVZIYBVDOP-PMACEKPBSA-N 2 1 331.504 1.994 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)C[C@H](C)[N@H+]1CCO ZINC000455230493 447091892 /nfs/dbraw/zinc/09/18/92/447091892.db2.gz POQJLPPFUOVDKI-IYBDPMFKSA-N 2 1 348.491 1.710 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)C[C@H](C)[N@@H+]1CCO ZINC000455230493 447091901 /nfs/dbraw/zinc/09/19/01/447091901.db2.gz POQJLPPFUOVDKI-IYBDPMFKSA-N 2 1 348.491 1.710 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)[C@@H](C)[C@H]2C)C1 ZINC000419394525 447148910 /nfs/dbraw/zinc/14/89/10/447148910.db2.gz PHEFQPHWTIKHRS-YLFCFFPRSA-N 2 1 325.497 1.436 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)C1 ZINC000419394525 447148914 /nfs/dbraw/zinc/14/89/14/447148914.db2.gz PHEFQPHWTIKHRS-YLFCFFPRSA-N 2 1 325.497 1.436 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)C1 ZINC000419394525 447148920 /nfs/dbraw/zinc/14/89/20/447148920.db2.gz PHEFQPHWTIKHRS-YLFCFFPRSA-N 2 1 325.497 1.436 20 0 EDADMP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccn1 ZINC000375896780 447129226 /nfs/dbraw/zinc/12/92/26/447129226.db2.gz ZZQZMQSSXCPEDY-RCCFBDPRSA-N 3 1 332.492 1.984 20 0 EDADMP C[NH+](C)CCOc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccn1 ZINC000375896780 447129232 /nfs/dbraw/zinc/12/92/32/447129232.db2.gz ZZQZMQSSXCPEDY-RCCFBDPRSA-N 2 1 332.492 1.984 20 0 EDADMP C[NH+](C)CCOc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccn1 ZINC000375896780 447129237 /nfs/dbraw/zinc/12/92/37/447129237.db2.gz ZZQZMQSSXCPEDY-RCCFBDPRSA-N 2 1 332.492 1.984 20 0 EDADMP C[N@H+](Cc1cccc2nccn21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377617265 447246265 /nfs/dbraw/zinc/24/62/65/447246265.db2.gz AJHPMIQQWFPKJJ-KRWDZBQOSA-N 2 1 327.476 1.935 20 0 EDADMP C[N@@H+](Cc1cccc2nccn21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377617265 447246268 /nfs/dbraw/zinc/24/62/68/447246268.db2.gz AJHPMIQQWFPKJJ-KRWDZBQOSA-N 2 1 327.476 1.935 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455857570 447243226 /nfs/dbraw/zinc/24/32/26/447243226.db2.gz OSIPNDAHPLLFQM-KRWDZBQOSA-N 2 1 334.464 1.671 20 0 EDADMP Cc1ccccc1OCCN1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000369050015 447288677 /nfs/dbraw/zinc/28/86/77/447288677.db2.gz BDDAUHFCDBMDAO-RBUKOAKNSA-N 2 1 347.503 1.711 20 0 EDADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cn1C ZINC000377648711 447270129 /nfs/dbraw/zinc/27/01/29/447270129.db2.gz LKKMLKVCFODQKD-BHYGNILZSA-N 2 1 349.475 1.791 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000458707005 447458060 /nfs/dbraw/zinc/45/80/60/447458060.db2.gz OFQVCOQKYOAOHG-IRXDYDNUSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000458707005 447458064 /nfs/dbraw/zinc/45/80/64/447458064.db2.gz OFQVCOQKYOAOHG-IRXDYDNUSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000458707005 447458071 /nfs/dbraw/zinc/45/80/71/447458071.db2.gz OFQVCOQKYOAOHG-IRXDYDNUSA-N 2 1 338.496 1.149 20 0 EDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])c2C1 ZINC000415506530 447486038 /nfs/dbraw/zinc/48/60/38/447486038.db2.gz BDAMXTMFAHCGID-KBPBESRZSA-N 2 1 346.475 1.696 20 0 EDADMP O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390848269 447502462 /nfs/dbraw/zinc/50/24/62/447502462.db2.gz CEWSIMGWWXZSHN-ROUUACIJSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000426938669 447518653 /nfs/dbraw/zinc/51/86/53/447518653.db2.gz BIUQNEKECTVNRA-YJBOKZPZSA-N 2 1 334.508 1.240 20 0 EDADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000385478151 447469463 /nfs/dbraw/zinc/46/94/63/447469463.db2.gz FBLLTXUSDQWRMG-UXHICEINSA-N 2 1 347.503 1.181 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000416211861 447541164 /nfs/dbraw/zinc/54/11/64/447541164.db2.gz XATYTHPCWWVSLK-IRXDYDNUSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000416211861 447541169 /nfs/dbraw/zinc/54/11/69/447541169.db2.gz XATYTHPCWWVSLK-IRXDYDNUSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000416211861 447541173 /nfs/dbraw/zinc/54/11/73/447541173.db2.gz XATYTHPCWWVSLK-IRXDYDNUSA-N 2 1 345.487 1.348 20 0 EDADMP C[N@@H+](CCCCNC(=O)NC[C@@H]1CCCC[NH+]1CCO)C1CC1 ZINC000459156346 447597889 /nfs/dbraw/zinc/59/78/89/447597889.db2.gz LPBJJOGETIXMDZ-INIZCTEOSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCCCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000459156346 447597896 /nfs/dbraw/zinc/59/78/96/447597896.db2.gz LPBJJOGETIXMDZ-INIZCTEOSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCCCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000459156346 447597903 /nfs/dbraw/zinc/59/79/03/447597903.db2.gz LPBJJOGETIXMDZ-INIZCTEOSA-N 2 1 326.485 1.007 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420126667 447619804 /nfs/dbraw/zinc/61/98/04/447619804.db2.gz NZNJXWNMBINFNX-PBHICJAKSA-N 2 1 346.475 1.265 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416917878 447708736 /nfs/dbraw/zinc/70/87/36/447708736.db2.gz JQGUUDXHFQWHNP-OWCLPIDISA-N 2 1 340.512 1.515 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416917878 447708743 /nfs/dbraw/zinc/70/87/43/447708743.db2.gz JQGUUDXHFQWHNP-OWCLPIDISA-N 2 1 340.512 1.515 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)CC1 ZINC000428459554 447703493 /nfs/dbraw/zinc/70/34/93/447703493.db2.gz MMJDXLSCOMUCNN-QFBILLFUSA-N 2 1 344.503 1.914 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000416910560 447706032 /nfs/dbraw/zinc/70/60/32/447706032.db2.gz AOQRBWNYFYRMOA-XUWVNRHRSA-N 2 1 340.512 1.691 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000416910560 447706037 /nfs/dbraw/zinc/70/60/37/447706037.db2.gz AOQRBWNYFYRMOA-XUWVNRHRSA-N 2 1 340.512 1.691 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000416912963 447706192 /nfs/dbraw/zinc/70/61/92/447706192.db2.gz DGOVVTQLRGOKHF-QXSJWSMHSA-N 2 1 340.512 1.691 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000416912963 447706199 /nfs/dbraw/zinc/70/61/99/447706199.db2.gz DGOVVTQLRGOKHF-QXSJWSMHSA-N 2 1 340.512 1.691 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+]1CCCO)Cc1ccccc1 ZINC000457921207 447672574 /nfs/dbraw/zinc/67/25/74/447672574.db2.gz BQJJYSSUPWNFDV-SFHVURJKSA-N 2 1 348.491 1.264 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)Cc1ccccc1 ZINC000457921207 447672580 /nfs/dbraw/zinc/67/25/80/447672580.db2.gz BQJJYSSUPWNFDV-SFHVURJKSA-N 2 1 348.491 1.264 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)Cc1ccccc1 ZINC000457921207 447672587 /nfs/dbraw/zinc/67/25/87/447672587.db2.gz BQJJYSSUPWNFDV-SFHVURJKSA-N 2 1 348.491 1.264 20 0 EDADMP COCc1cccc(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422633034 447680900 /nfs/dbraw/zinc/68/09/00/447680900.db2.gz HVDPAVNHISWCDI-RKVPGOIHSA-N 2 1 333.476 1.754 20 0 EDADMP COCc1cccc(CNC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422633034 447680906 /nfs/dbraw/zinc/68/09/06/447680906.db2.gz HVDPAVNHISWCDI-RKVPGOIHSA-N 2 1 333.476 1.754 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC(=O)NCc2cccs2)C[C@H]1C[NH3+] ZINC000422639218 447683881 /nfs/dbraw/zinc/68/38/81/447683881.db2.gz SJYPWISXWOQDLY-FRRDWIJNSA-N 2 1 338.477 1.379 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC(=O)NCc2cccs2)C[C@H]1C[NH3+] ZINC000422639218 447683887 /nfs/dbraw/zinc/68/38/87/447683887.db2.gz SJYPWISXWOQDLY-FRRDWIJNSA-N 2 1 338.477 1.379 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000422641687 447685090 /nfs/dbraw/zinc/68/50/90/447685090.db2.gz YJAPYVYLQDFAFP-MCIONIFRSA-N 2 1 348.447 1.649 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000422641687 447685096 /nfs/dbraw/zinc/68/50/96/447685096.db2.gz YJAPYVYLQDFAFP-MCIONIFRSA-N 2 1 348.447 1.649 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000416936255 447714241 /nfs/dbraw/zinc/71/42/41/447714241.db2.gz HKXPVTCXSZYMGT-JKSUJKDBSA-N 2 1 326.485 1.114 20 0 EDADMP CCCN(C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000416935280 447714536 /nfs/dbraw/zinc/71/45/36/447714536.db2.gz GCGDAOZVYPDCCZ-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP COC1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000428865376 447718333 /nfs/dbraw/zinc/71/83/33/447718333.db2.gz DOYMSJDVXLDPOM-GOSISDBHSA-N 2 1 334.460 1.409 20 0 EDADMP COC1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000428865376 447718335 /nfs/dbraw/zinc/71/83/35/447718335.db2.gz DOYMSJDVXLDPOM-GOSISDBHSA-N 2 1 334.460 1.409 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000416943723 447719377 /nfs/dbraw/zinc/71/93/77/447719377.db2.gz CSIOPFUMXYYSQH-HNNXBMFYSA-N 2 1 327.517 1.075 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000416947524 447722749 /nfs/dbraw/zinc/72/27/49/447722749.db2.gz YETMBPUPSDWBKV-XHSDSOJGSA-N 2 1 326.485 1.031 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417023362 447731442 /nfs/dbraw/zinc/73/14/42/447731442.db2.gz PGKQZESBUPECPM-XYJFISCASA-N 2 1 347.507 1.400 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000417023362 447731444 /nfs/dbraw/zinc/73/14/44/447731444.db2.gz PGKQZESBUPECPM-XYJFISCASA-N 2 1 347.507 1.400 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422740529 447735469 /nfs/dbraw/zinc/73/54/69/447735469.db2.gz MWNYATPXYPOXOP-ZJPYXAASSA-N 2 1 336.524 1.474 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422740529 447735472 /nfs/dbraw/zinc/73/54/72/447735472.db2.gz MWNYATPXYPOXOP-ZJPYXAASSA-N 3 1 336.524 1.474 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422740529 447735475 /nfs/dbraw/zinc/73/54/75/447735475.db2.gz MWNYATPXYPOXOP-ZJPYXAASSA-N 3 1 336.524 1.474 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NCCCC[NH3+])c2)CCO1 ZINC000417267012 447738973 /nfs/dbraw/zinc/73/89/73/447738973.db2.gz GHLXJRWWOBMUJA-OAHLLOKOSA-N 2 1 334.464 1.445 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NCCCC[NH3+])c2)CCO1 ZINC000417267012 447738976 /nfs/dbraw/zinc/73/89/76/447738976.db2.gz GHLXJRWWOBMUJA-OAHLLOKOSA-N 2 1 334.464 1.445 20 0 EDADMP O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000422914418 447771371 /nfs/dbraw/zinc/77/13/71/447771371.db2.gz UDDYQNQBMFXQRB-IBGZPJMESA-N 2 1 344.503 1.744 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccccc2F)C1 ZINC000430555447 447777454 /nfs/dbraw/zinc/77/74/54/447777454.db2.gz XKTIFNGVRSOQIP-CABCVRRESA-N 2 1 337.439 1.722 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)CCOc2ccccc2F)C1 ZINC000430555447 447777458 /nfs/dbraw/zinc/77/74/58/447777458.db2.gz XKTIFNGVRSOQIP-CABCVRRESA-N 2 1 337.439 1.722 20 0 EDADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423022593 447793370 /nfs/dbraw/zinc/79/33/70/447793370.db2.gz FPRMNIROZZGKSK-SWDXFRIISA-N 3 1 344.503 1.148 20 0 EDADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000423046343 447797336 /nfs/dbraw/zinc/79/73/36/447797336.db2.gz DHLYIVVXABJYBU-ZBFHGGJFSA-N 2 1 344.459 1.399 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)CC[N@H+]1C[C@@H](C)O ZINC000462005198 447797917 /nfs/dbraw/zinc/79/79/17/447797917.db2.gz FKYNZEZKTFQWTJ-XHSDSOJGSA-N 2 1 328.501 1.202 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC[NH+]1C[C@@H](C)O ZINC000462005198 447797920 /nfs/dbraw/zinc/79/79/20/447797920.db2.gz FKYNZEZKTFQWTJ-XHSDSOJGSA-N 2 1 328.501 1.202 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC[NH+]1C[C@@H](C)O ZINC000462005198 447797924 /nfs/dbraw/zinc/79/79/24/447797924.db2.gz FKYNZEZKTFQWTJ-XHSDSOJGSA-N 2 1 328.501 1.202 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C ZINC000462005788 447798330 /nfs/dbraw/zinc/79/83/30/447798330.db2.gz VEHQUXKYWXRCGW-OAGGEKHMSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000462005788 447798333 /nfs/dbraw/zinc/79/83/33/447798333.db2.gz VEHQUXKYWXRCGW-OAGGEKHMSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000462005788 447798336 /nfs/dbraw/zinc/79/83/36/447798336.db2.gz VEHQUXKYWXRCGW-OAGGEKHMSA-N 2 1 328.501 1.203 20 0 EDADMP FC(F)C(F)(F)COCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423073305 447799134 /nfs/dbraw/zinc/79/91/34/447799134.db2.gz INDLKVZCVKOQEB-UTUOFQBUSA-N 2 1 328.350 1.650 20 0 EDADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1)N1CCCCC1 ZINC000423098819 447804144 /nfs/dbraw/zinc/80/41/44/447804144.db2.gz SMVSSKCMZAKSLU-ICBNADEASA-N 2 1 349.519 1.914 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423104871 447806171 /nfs/dbraw/zinc/80/61/71/447806171.db2.gz QJYHHOMEWNIGRG-TZMCWYRMSA-N 2 1 345.896 1.596 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471651136 447807588 /nfs/dbraw/zinc/80/75/88/447807588.db2.gz AGZKIZXNLIAQPZ-UHFFFAOYSA-N 2 1 348.491 1.400 20 0 EDADMP CN(C[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000496619954 447834480 /nfs/dbraw/zinc/83/44/80/447834480.db2.gz AFZDTEWTKOCJJD-HUUCEWRRSA-N 2 1 329.485 1.630 20 0 EDADMP CN(C[C@@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000496619954 447834482 /nfs/dbraw/zinc/83/44/82/447834482.db2.gz AFZDTEWTKOCJJD-HUUCEWRRSA-N 2 1 329.485 1.630 20 0 EDADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000488179660 447842726 /nfs/dbraw/zinc/84/27/26/447842726.db2.gz INOASKZAEJNFMB-CRAIPNDOSA-N 2 1 348.491 1.345 20 0 EDADMP CC(C)(C)OC(=O)NCCC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000496660402 447842954 /nfs/dbraw/zinc/84/29/54/447842954.db2.gz JQWKAKDBBDPVRZ-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NCCN2CCO[C@@H](CC)C2)C1 ZINC000488393472 447846441 /nfs/dbraw/zinc/84/64/41/447846441.db2.gz RSRJRDZPNMSGAK-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000549126782 447865003 /nfs/dbraw/zinc/86/50/03/447865003.db2.gz JUGUEAVGZGLEEX-FUHWJXTLSA-N 2 1 331.460 1.345 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569755440 447884010 /nfs/dbraw/zinc/88/40/10/447884010.db2.gz FPIKLRUKXAALRH-IXDOHACOSA-N 2 1 343.512 1.157 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569755440 447884015 /nfs/dbraw/zinc/88/40/15/447884015.db2.gz FPIKLRUKXAALRH-IXDOHACOSA-N 2 1 343.512 1.157 20 0 EDADMP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC000575894201 447923944 /nfs/dbraw/zinc/92/39/44/447923944.db2.gz JEFJCEKKFKKMQZ-DLBZAZTESA-N 2 1 348.447 1.206 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC000575894201 447923950 /nfs/dbraw/zinc/92/39/50/447923950.db2.gz JEFJCEKKFKKMQZ-DLBZAZTESA-N 2 1 348.447 1.206 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000525248945 447983036 /nfs/dbraw/zinc/98/30/36/447983036.db2.gz JMULAEYDJVSTIN-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP CC(C)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)N1CC[NH+](C)CC1 ZINC000576210412 447999897 /nfs/dbraw/zinc/99/98/97/447999897.db2.gz KKUVALUKHZAJOB-SFHVURJKSA-N 2 1 345.491 1.683 20 0 EDADMP CN(C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000531059423 448012001 /nfs/dbraw/zinc/01/20/01/448012001.db2.gz MRQSXPTVWPTKGH-IEBWSBKVSA-N 2 1 331.460 1.176 20 0 EDADMP CN(C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C)C1 ZINC000531059423 448012005 /nfs/dbraw/zinc/01/20/05/448012005.db2.gz MRQSXPTVWPTKGH-IEBWSBKVSA-N 2 1 331.460 1.176 20 0 EDADMP CN(C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C)C1 ZINC000531059423 448012010 /nfs/dbraw/zinc/01/20/10/448012010.db2.gz MRQSXPTVWPTKGH-IEBWSBKVSA-N 2 1 331.460 1.176 20 0 EDADMP CN(C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000530819342 447965652 /nfs/dbraw/zinc/96/56/52/447965652.db2.gz SYZWNLUAVIZPKI-ICSRJNTNSA-N 2 1 343.471 1.319 20 0 EDADMP CN(C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000530819342 447965659 /nfs/dbraw/zinc/96/56/59/447965659.db2.gz SYZWNLUAVIZPKI-ICSRJNTNSA-N 2 1 343.471 1.319 20 0 EDADMP CN(C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000530819342 447965668 /nfs/dbraw/zinc/96/56/68/447965668.db2.gz SYZWNLUAVIZPKI-ICSRJNTNSA-N 2 1 343.471 1.319 20 0 EDADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000576105278 447973813 /nfs/dbraw/zinc/97/38/13/447973813.db2.gz SMQFPCGCIVEDQF-AEFFLSMTSA-N 2 1 330.476 1.265 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000576106946 447974748 /nfs/dbraw/zinc/97/47/48/447974748.db2.gz YFNOHGBHWKLKMI-KSZLIROESA-N 2 1 337.508 1.996 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000576409732 448048468 /nfs/dbraw/zinc/04/84/68/448048468.db2.gz AMAJQRYFAPCTME-IRXDYDNUSA-N 2 1 336.524 1.203 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2ncccc2F)CC1 ZINC000525919232 448057241 /nfs/dbraw/zinc/05/72/41/448057241.db2.gz DEZQOANBDNDXOJ-UHFFFAOYSA-N 2 1 329.379 1.549 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC000531402377 448077882 /nfs/dbraw/zinc/07/78/82/448077882.db2.gz NIUNGNSFQIKCIU-RDJZCZTQSA-N 2 1 335.496 1.398 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@@H+](C)C1 ZINC000501728624 448096520 /nfs/dbraw/zinc/09/65/20/448096520.db2.gz MOXHEDWQMCYZBH-KKUMJFAQSA-N 2 1 328.501 1.323 20 0 EDADMP COC[C@]1(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CCC[NH2+]1 ZINC000576871966 448158366 /nfs/dbraw/zinc/15/83/66/448158366.db2.gz MQRJOZCTKFZLHO-IEBWSBKVSA-N 2 1 346.475 1.178 20 0 EDADMP CC(C)(C)c1ccc(OCCC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000571298606 448131570 /nfs/dbraw/zinc/13/15/70/448131570.db2.gz GEHNIROTHAGOOJ-WMZOPIPTSA-N 2 1 345.487 1.997 20 0 EDADMP CC(C)(C)c1ccc(OCCC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000571298606 448131577 /nfs/dbraw/zinc/13/15/77/448131577.db2.gz GEHNIROTHAGOOJ-WMZOPIPTSA-N 2 1 345.487 1.997 20 0 EDADMP CC(C)(C)c1ccc(OCCC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000571298605 448132315 /nfs/dbraw/zinc/13/23/15/448132315.db2.gz GEHNIROTHAGOOJ-SJLPKXTDSA-N 2 1 345.487 1.997 20 0 EDADMP CC(C)(C)c1ccc(OCCC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000571298605 448132319 /nfs/dbraw/zinc/13/23/19/448132319.db2.gz GEHNIROTHAGOOJ-SJLPKXTDSA-N 2 1 345.487 1.997 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)Nc3cccnc3)C2)CC1 ZINC000576763286 448134046 /nfs/dbraw/zinc/13/40/46/448134046.db2.gz HPVMEHVCFRVHSQ-SFHVURJKSA-N 2 1 345.491 1.511 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000571618259 448178807 /nfs/dbraw/zinc/17/88/07/448178807.db2.gz XQVFWLCGSIAVEX-TWMKSMIVSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])N1CC[NH+](C)CC1 ZINC000571795578 448208495 /nfs/dbraw/zinc/20/84/95/448208495.db2.gz GHPPYWCOZZZURF-BZSNNMDCSA-N 2 1 338.540 1.672 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000571897544 448231832 /nfs/dbraw/zinc/23/18/32/448231832.db2.gz PMUNCNXIECCYDM-ZWKOTPCHSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000577208329 448236862 /nfs/dbraw/zinc/23/68/62/448236862.db2.gz SNZBPVSJLHHJAQ-PMPSAXMXSA-N 2 1 326.485 1.447 20 0 EDADMP Cc1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)ccn1 ZINC000527538662 448253523 /nfs/dbraw/zinc/25/35/23/448253523.db2.gz KXXFGSCOLXRBIR-UHFFFAOYSA-N 2 1 330.476 1.766 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000591101796 448261740 /nfs/dbraw/zinc/26/17/40/448261740.db2.gz DYUXDTGPZTWSNB-HDICACEKSA-N 2 1 338.540 1.735 20 0 EDADMP C[C@@H](Cc1cnc[nH]1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000572177004 448308015 /nfs/dbraw/zinc/30/80/15/448308015.db2.gz MWNPIUBKVITTEV-HNNXBMFYSA-N 2 1 334.464 1.740 20 0 EDADMP C[N@@H+](C[C@@H](O)CNCc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000583079191 448418795 /nfs/dbraw/zinc/41/87/95/448418795.db2.gz LWBAOIUFQWBEFZ-FQEVSTJZSA-N 2 1 347.503 1.188 20 0 EDADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCN1CC[NH2+]CC1 ZINC000516292995 448409979 /nfs/dbraw/zinc/40/99/79/448409979.db2.gz VOBRKEFCCUBODK-UHFFFAOYSA-N 2 1 345.466 1.985 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)[C@@H]1c1ccccc1 ZINC000516749717 448467476 /nfs/dbraw/zinc/46/74/76/448467476.db2.gz MAYJLHXQOCRWBH-ULQDDVLXSA-N 2 1 332.448 1.110 20 0 EDADMP [NH3+]Cc1nc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)no1 ZINC000584411323 448518444 /nfs/dbraw/zinc/51/84/44/448518444.db2.gz WMAONKLVJGLQSH-HZPDHXFCSA-N 2 1 329.448 1.700 20 0 EDADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)NCc2ccccc2F)CC1 ZINC000566611145 448519093 /nfs/dbraw/zinc/51/90/93/448519093.db2.gz DMDBCTYDTNLNCF-MJGOQNOKSA-N 2 1 349.450 1.660 20 0 EDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000578545059 448576605 /nfs/dbraw/zinc/57/66/05/448576605.db2.gz CMOGZASKESTQSZ-LSDHHAIUSA-N 2 1 344.459 1.954 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CCC1=O ZINC000539358133 448611626 /nfs/dbraw/zinc/61/16/26/448611626.db2.gz PCZRJVVTAFKHLB-KGLIPLIRSA-N 2 1 330.432 1.777 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000567111002 448615755 /nfs/dbraw/zinc/61/57/55/448615755.db2.gz DMFLOQIXDMHUIU-ROUUACIJSA-N 2 1 336.476 1.417 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC2)[C@H](C)C1 ZINC000517495977 448586884 /nfs/dbraw/zinc/58/68/84/448586884.db2.gz XTBNLZWXVPNEPM-MSOLQXFVSA-N 2 1 339.524 1.578 20 0 EDADMP O=C(NCCNc1ccc2ccccc2n1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000517546978 448590646 /nfs/dbraw/zinc/59/06/46/448590646.db2.gz MLXCUWFOLCCXDW-HNNXBMFYSA-N 2 1 339.443 2.183 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000566978831 448595908 /nfs/dbraw/zinc/59/59/08/448595908.db2.gz AUJGIHCMRDLCQF-UHFFFAOYSA-N 2 1 326.462 1.530 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000518123239 448647623 /nfs/dbraw/zinc/64/76/23/448647623.db2.gz DYEOBVZSGVDKOC-QZTJIDSGSA-N 2 1 330.476 1.752 20 0 EDADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000518123239 448647628 /nfs/dbraw/zinc/64/76/28/448647628.db2.gz DYEOBVZSGVDKOC-QZTJIDSGSA-N 2 1 330.476 1.752 20 0 EDADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000518123239 448647633 /nfs/dbraw/zinc/64/76/33/448647633.db2.gz DYEOBVZSGVDKOC-QZTJIDSGSA-N 2 1 330.476 1.752 20 0 EDADMP CN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC([NH3+])C1 ZINC000578850353 448650912 /nfs/dbraw/zinc/65/09/12/448650912.db2.gz PGMBVUKEJPPCFO-DAWZGUTISA-N 2 1 346.475 1.409 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn2cc[nH+]c12 ZINC000573461092 448635458 /nfs/dbraw/zinc/63/54/58/448635458.db2.gz OXQGWEPVTKWZPG-QEJZJMRPSA-N 2 1 341.415 1.167 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1CC ZINC000579002779 448693125 /nfs/dbraw/zinc/69/31/25/448693125.db2.gz ULKIEYLHFZFMKD-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1CC ZINC000579002779 448693130 /nfs/dbraw/zinc/69/31/30/448693130.db2.gz ULKIEYLHFZFMKD-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1CC ZINC000579002779 448693133 /nfs/dbraw/zinc/69/31/33/448693133.db2.gz ULKIEYLHFZFMKD-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1CC ZINC000579002779 448693139 /nfs/dbraw/zinc/69/31/39/448693139.db2.gz ULKIEYLHFZFMKD-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP COCc1nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cs1 ZINC000518893665 448718632 /nfs/dbraw/zinc/71/86/32/448718632.db2.gz MVYBFCPIPYETGR-UHFFFAOYSA-N 2 1 347.444 1.689 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000573821124 448723497 /nfs/dbraw/zinc/72/34/97/448723497.db2.gz XPLSPXATOMLTGT-OWCLPIDISA-N 2 1 326.485 1.447 20 0 EDADMP [NH3+]C1(CNC(=O)NCC[N@@H+]2CC=CCC2)C2CC3CC(C2)CC1C3 ZINC000579217204 448741819 /nfs/dbraw/zinc/74/18/19/448741819.db2.gz VZIQAKWRRFHXDC-UHFFFAOYSA-N 2 1 332.492 1.701 20 0 EDADMP Cc1ccc(NC(=O)CC[NH2+]CCCC[N@H+]2CCC[C@H]2CO)nc1 ZINC000579231605 448748272 /nfs/dbraw/zinc/74/82/72/448748272.db2.gz MLSMTCYRUZJXJT-INIZCTEOSA-N 2 1 334.464 1.545 20 0 EDADMP C[NH+]1CCC[C@H](CNc2cncc(NC[C@H]3CCC[N@H+](C)C3)n2)C1 ZINC000579267068 448758272 /nfs/dbraw/zinc/75/82/72/448758272.db2.gz ZUXGWKJBJZBGSY-HZPDHXFCSA-N 2 1 332.496 1.984 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000568051620 448807258 /nfs/dbraw/zinc/80/72/58/448807258.db2.gz UJDLZRKTVHZFQE-CRAIPNDOSA-N 2 1 329.448 1.622 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529291546 448810373 /nfs/dbraw/zinc/81/03/73/448810373.db2.gz IMUJOUUYOMHJJC-QGZVFWFLSA-N 2 1 328.460 1.629 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000574058180 448783473 /nfs/dbraw/zinc/78/34/73/448783473.db2.gz HPIVALRBTDVLLZ-QAPCUYQASA-N 2 1 346.475 1.111 20 0 EDADMP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000519551921 448785440 /nfs/dbraw/zinc/78/54/40/448785440.db2.gz VIHKVWOMEUUZFV-IRXDYDNUSA-N 2 1 336.476 1.596 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)CC1 ZINC000579470019 448800617 /nfs/dbraw/zinc/80/06/17/448800617.db2.gz YOIPVOJNTURNPI-AEFFLSMTSA-N 2 1 337.508 1.866 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3)CC[N@H+]2C2CC2)c1 ZINC000568513322 448884064 /nfs/dbraw/zinc/88/40/64/448884064.db2.gz ZKQYQMVGEVXDGR-LTCOOKNTSA-N 2 1 329.444 1.827 20 0 EDADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC[C@H]1[NH3+] ZINC000592487914 448858281 /nfs/dbraw/zinc/85/82/81/448858281.db2.gz BYJYCBNDRWBZSW-FRFSOERESA-N 2 1 347.459 1.537 20 0 EDADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC[C@H]1[NH3+] ZINC000592487914 448858285 /nfs/dbraw/zinc/85/82/85/448858285.db2.gz BYJYCBNDRWBZSW-FRFSOERESA-N 2 1 347.459 1.537 20 0 EDADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)CN1CCOCC1 ZINC000574617708 448915509 /nfs/dbraw/zinc/91/55/09/448915509.db2.gz JSKJZYBNZLDTHN-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000574617708 448915512 /nfs/dbraw/zinc/91/55/12/448915512.db2.gz JSKJZYBNZLDTHN-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000574617708 448915514 /nfs/dbraw/zinc/91/55/14/448915514.db2.gz JSKJZYBNZLDTHN-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCc2nc[nH]c2C1)Cc1ccccc1 ZINC000520676752 448921254 /nfs/dbraw/zinc/92/12/54/448921254.db2.gz XNQALYBLQCLIQE-CVEARBPZSA-N 2 1 341.459 1.739 20 0 EDADMP [NH3+]C1(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCCCC1 ZINC000574862328 448973621 /nfs/dbraw/zinc/97/36/21/448973621.db2.gz OZBAZWGHHVXRST-INIZCTEOSA-N 2 1 338.496 1.544 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)CC2)CC1 ZINC000574701987 448938022 /nfs/dbraw/zinc/93/80/22/448938022.db2.gz PXWIFAXECISPRM-UHOSZYNNSA-N 2 1 349.519 1.412 20 0 EDADMP CN1CC[NH+](CCCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000582071458 449005120 /nfs/dbraw/zinc/00/51/20/449005120.db2.gz STLCQWIJLCDMLE-UHFFFAOYSA-N 2 1 332.492 1.158 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000521986777 449035965 /nfs/dbraw/zinc/03/59/65/449035965.db2.gz WBYYONTXTJSYGL-OAGGEKHMSA-N 2 1 338.496 1.399 20 0 EDADMP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCC[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000582176205 449029358 /nfs/dbraw/zinc/02/93/58/449029358.db2.gz HWXUYGYNVBBXDD-GGPKGHCWSA-N 2 1 349.519 1.568 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000589209114 448989377 /nfs/dbraw/zinc/98/93/77/448989377.db2.gz LBXWBHGLAGTYIK-HNNXBMFYSA-N 2 1 327.517 1.042 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000589209114 448989382 /nfs/dbraw/zinc/98/93/82/448989382.db2.gz LBXWBHGLAGTYIK-HNNXBMFYSA-N 2 1 327.517 1.042 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000589209114 448989387 /nfs/dbraw/zinc/98/93/87/448989387.db2.gz LBXWBHGLAGTYIK-HNNXBMFYSA-N 2 1 327.517 1.042 20 0 EDADMP Cc1cc(OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c(C)c(C)[nH+]1 ZINC000582370615 449078991 /nfs/dbraw/zinc/07/89/91/449078991.db2.gz VHCVRHRAZGOUBN-QGZVFWFLSA-N 2 1 349.475 1.859 20 0 EDADMP [NH3+]CCCCn1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nn1 ZINC000521999066 449038641 /nfs/dbraw/zinc/03/86/41/449038641.db2.gz IAGPXENRMSYQCO-WMLDXEAASA-N 2 1 346.479 1.106 20 0 EDADMP O=C(Nc1cnc2n1CCCC2)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000569558305 449042837 /nfs/dbraw/zinc/04/28/37/449042837.db2.gz MNJJLJRTZOVZCD-IBGZPJMESA-N 2 1 340.427 1.795 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000548440702 449044643 /nfs/dbraw/zinc/04/46/43/449044643.db2.gz WKPOKXGEQVYWNS-MRXNPFEDSA-N 2 1 333.480 1.050 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000589647008 449045289 /nfs/dbraw/zinc/04/52/89/449045289.db2.gz XBSWYTMZWVKYKQ-HNNXBMFYSA-N 2 1 325.478 1.878 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000589647008 449045297 /nfs/dbraw/zinc/04/52/97/449045297.db2.gz XBSWYTMZWVKYKQ-HNNXBMFYSA-N 2 1 325.478 1.878 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000569578061 449048232 /nfs/dbraw/zinc/04/82/32/449048232.db2.gz GZSCRUKNFPJQOA-OIISXLGYSA-N 2 1 332.448 1.019 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000575236235 449066642 /nfs/dbraw/zinc/06/66/42/449066642.db2.gz PIXGSQCRHYRXPM-BBWFWOEESA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000575236235 449066646 /nfs/dbraw/zinc/06/66/46/449066646.db2.gz PIXGSQCRHYRXPM-BBWFWOEESA-N 2 1 340.512 1.658 20 0 EDADMP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)NCc1cccs1 ZINC000530237221 449090933 /nfs/dbraw/zinc/09/09/33/449090933.db2.gz BZKNOMFNCMPNAQ-HNNXBMFYSA-N 2 1 337.489 1.455 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606685247 449504656 /nfs/dbraw/zinc/50/46/56/449504656.db2.gz FIQKSCMUNKEMEE-GOEBONIOSA-N 2 1 326.485 1.127 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000606700654 449511650 /nfs/dbraw/zinc/51/16/50/449511650.db2.gz OBLBKGYBSDLWHP-NVXWUHKLSA-N 2 1 340.512 1.469 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000606704104 449513095 /nfs/dbraw/zinc/51/30/95/449513095.db2.gz OYQYAGHWFCJASL-MRXNPFEDSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CNC(=O)Nc1ccccc1 ZINC000617504262 449650518 /nfs/dbraw/zinc/65/05/18/449650518.db2.gz NHACNTOTECUYGE-HNNXBMFYSA-N 2 1 349.479 1.196 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CNC(=O)Nc1ccccc1 ZINC000617504262 449650520 /nfs/dbraw/zinc/65/05/20/449650520.db2.gz NHACNTOTECUYGE-HNNXBMFYSA-N 2 1 349.479 1.196 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-n2cccn2)ccn1 ZINC000617506045 449652695 /nfs/dbraw/zinc/65/26/95/449652695.db2.gz YZFKYYIOIKOTNV-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-n2cccn2)ccn1 ZINC000617506045 449652699 /nfs/dbraw/zinc/65/26/99/449652699.db2.gz YZFKYYIOIKOTNV-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000617503943 449645897 /nfs/dbraw/zinc/64/58/97/449645897.db2.gz BMAQFSHDRZBBSM-LBPRGKRZSA-N 2 1 333.436 1.270 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000617503943 449645902 /nfs/dbraw/zinc/64/59/02/449645902.db2.gz BMAQFSHDRZBBSM-LBPRGKRZSA-N 2 1 333.436 1.270 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(O)c(F)c1 ZINC000617503503 449647173 /nfs/dbraw/zinc/64/71/73/449647173.db2.gz MDTMPFXNVWRKOX-ZDUSSCGKSA-N 2 1 325.428 1.462 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(O)c(F)c1 ZINC000617503503 449647178 /nfs/dbraw/zinc/64/71/78/449647178.db2.gz MDTMPFXNVWRKOX-ZDUSSCGKSA-N 2 1 325.428 1.462 20 0 EDADMP CC[C@H](C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[NH+](CC)CC ZINC000617700340 449745016 /nfs/dbraw/zinc/74/50/16/449745016.db2.gz CGLGBSHLEGWYPY-RBUKOAKNSA-N 2 1 347.503 1.990 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000608415583 449830698 /nfs/dbraw/zinc/83/06/98/449830698.db2.gz KDZXZNZTBHMAAZ-UHFFFAOYSA-N 2 1 334.464 1.270 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000608415583 449830700 /nfs/dbraw/zinc/83/07/00/449830700.db2.gz KDZXZNZTBHMAAZ-UHFFFAOYSA-N 2 1 334.464 1.270 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000617767270 449831857 /nfs/dbraw/zinc/83/18/57/449831857.db2.gz MZWLICYXVPHESQ-LJQANCHMSA-N 2 1 346.519 1.651 20 0 EDADMP CCOC(=O)c1nnn(C2CC[NH+](CCC[NH2+]C)CC2)c1C(F)F ZINC000601328424 449836498 /nfs/dbraw/zinc/83/64/98/449836498.db2.gz PFAGTJJZHAOUJY-UHFFFAOYSA-N 2 1 345.394 1.639 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000612594474 449790726 /nfs/dbraw/zinc/79/07/26/449790726.db2.gz KGBDWTXWRZHTRG-SJORKVTESA-N 2 1 338.496 1.367 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCOC3CCOCC3)C2)CC1 ZINC000599305352 449877403 /nfs/dbraw/zinc/87/74/03/449877403.db2.gz XAKAPEGZEVHHJX-QGZVFWFLSA-N 2 1 325.497 1.282 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000599310018 449881458 /nfs/dbraw/zinc/88/14/58/449881458.db2.gz CLGSYMBTJUGHJM-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP COC(=O)[C@@]1(C)CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602844654 449851436 /nfs/dbraw/zinc/85/14/36/449851436.db2.gz DYBNYPWIHYAPHW-PMACEKPBSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)[C@@]1(C)CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602844654 449851441 /nfs/dbraw/zinc/85/14/41/449851441.db2.gz DYBNYPWIHYAPHW-PMACEKPBSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)[C@@]1(C)CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602844654 449851443 /nfs/dbraw/zinc/85/14/43/449851443.db2.gz DYBNYPWIHYAPHW-PMACEKPBSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)[C@@]1(C)CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602844654 449851447 /nfs/dbraw/zinc/85/14/47/449851447.db2.gz DYBNYPWIHYAPHW-PMACEKPBSA-N 2 1 346.471 1.899 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3C[C@@H]4CCCC[C@H]4NC3=O)C2)CC1 ZINC000595312056 450025721 /nfs/dbraw/zinc/02/57/21/450025721.db2.gz KWNBTMXPGQJTEU-BSDSXHPESA-N 2 1 334.508 1.146 20 0 EDADMP C[NH+](C)[C@H](CC(=O)N1CC(CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000615273470 450037939 /nfs/dbraw/zinc/03/79/39/450037939.db2.gz SJZNDINIKUGLDW-LJQANCHMSA-N 2 1 344.503 1.385 20 0 EDADMP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000618190202 450045348 /nfs/dbraw/zinc/04/53/48/450045348.db2.gz KTXIRLIRGHKUGE-LJQANCHMSA-N 2 1 329.488 1.961 20 0 EDADMP O[C@@H](COc1ccc(Br)cc1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613209002 450080673 /nfs/dbraw/zinc/08/06/73/450080673.db2.gz FOYOYLGVIKWDHG-MBNYWOFBSA-N 2 1 341.249 1.340 20 0 EDADMP O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613209002 450080678 /nfs/dbraw/zinc/08/06/78/450080678.db2.gz FOYOYLGVIKWDHG-MBNYWOFBSA-N 2 1 341.249 1.340 20 0 EDADMP COC(=O)c1sccc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603214817 450149142 /nfs/dbraw/zinc/14/91/42/450149142.db2.gz FRCCBGDBVVXRHC-UHFFFAOYSA-N 2 1 349.460 1.140 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCC(C)(C)C)[C@@H](C)C1 ZINC000625329090 450295514 /nfs/dbraw/zinc/29/55/14/450295514.db2.gz BXAYXEPRHMOCGO-HOTGVXAUSA-N 2 1 327.513 1.875 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCC(C)(C)C)[C@@H](C)C1 ZINC000625329090 450295521 /nfs/dbraw/zinc/29/55/21/450295521.db2.gz BXAYXEPRHMOCGO-HOTGVXAUSA-N 2 1 327.513 1.875 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Br)cn2)CC1 ZINC000603723725 450344017 /nfs/dbraw/zinc/34/40/17/450344017.db2.gz LDWFAMIYCJKMGH-UHFFFAOYSA-N 2 1 341.297 1.961 20 0 EDADMP Cn1cc(CCN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nn1 ZINC000625425008 450353104 /nfs/dbraw/zinc/35/31/04/450353104.db2.gz ZLWHQGGXAWZKAU-IBGZPJMESA-N 2 1 325.460 1.956 20 0 EDADMP Cn1cc(CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000625425008 450353112 /nfs/dbraw/zinc/35/31/12/450353112.db2.gz ZLWHQGGXAWZKAU-IBGZPJMESA-N 2 1 325.460 1.956 20 0 EDADMP Cn1cc(CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nn1 ZINC000625425008 450353114 /nfs/dbraw/zinc/35/31/14/450353114.db2.gz ZLWHQGGXAWZKAU-IBGZPJMESA-N 2 1 325.460 1.956 20 0 EDADMP CN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000625659103 450466868 /nfs/dbraw/zinc/46/68/68/450466868.db2.gz NYXIPNMNMGOZTL-OAHLLOKOSA-N 2 1 337.414 1.918 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620473811 450495463 /nfs/dbraw/zinc/49/54/63/450495463.db2.gz ABOTVCAYKZOUBQ-ZBFHGGJFSA-N 2 1 334.464 1.454 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620473811 450495467 /nfs/dbraw/zinc/49/54/67/450495467.db2.gz ABOTVCAYKZOUBQ-ZBFHGGJFSA-N 2 1 334.464 1.454 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1COCCN1C ZINC000623455081 450524129 /nfs/dbraw/zinc/52/41/29/450524129.db2.gz APVVSZAWAIENKA-SFHVURJKSA-N 2 1 348.491 1.657 20 0 EDADMP CN(CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)S(=O)(=O)c1cccs1 ZINC000623467712 450526546 /nfs/dbraw/zinc/52/65/46/450526546.db2.gz UQJZSROSFULQIV-ZDUSSCGKSA-N 2 1 345.534 1.831 20 0 EDADMP CC(C)C[C@H]([NH2+]Cc1ccncc1Cl)C(=O)NCC[NH+](C)C ZINC000623475570 450527569 /nfs/dbraw/zinc/52/75/69/450527569.db2.gz SMDIWVNDEDNZKN-HNNXBMFYSA-N 2 1 326.872 1.917 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000623621261 450553650 /nfs/dbraw/zinc/55/36/50/450553650.db2.gz UGSRCLUPHMNLCF-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000623621261 450553652 /nfs/dbraw/zinc/55/36/52/450553652.db2.gz UGSRCLUPHMNLCF-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000623621261 450553655 /nfs/dbraw/zinc/55/36/55/450553655.db2.gz UGSRCLUPHMNLCF-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656166 450561792 /nfs/dbraw/zinc/56/17/92/450561792.db2.gz OKEQFIJSTPBJTN-MRXNPFEDSA-N 2 1 335.496 1.387 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656166 450561793 /nfs/dbraw/zinc/56/17/93/450561793.db2.gz OKEQFIJSTPBJTN-MRXNPFEDSA-N 2 1 335.496 1.387 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[NH2+][C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000621153885 450602423 /nfs/dbraw/zinc/60/24/23/450602423.db2.gz AWNSVIZDGHFSJM-DLBZAZTESA-N 2 1 325.497 1.580 20 0 EDADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000635148921 450695023 /nfs/dbraw/zinc/69/50/23/450695023.db2.gz KSMOHRARPRPDRL-GOSISDBHSA-N 2 1 334.508 1.243 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624120603 450715329 /nfs/dbraw/zinc/71/53/29/450715329.db2.gz CFQAXQIWCYCMFD-GJZGRUSLSA-N 2 1 339.505 1.977 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624120603 450715333 /nfs/dbraw/zinc/71/53/33/450715333.db2.gz CFQAXQIWCYCMFD-GJZGRUSLSA-N 2 1 339.505 1.977 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624120602 450715738 /nfs/dbraw/zinc/71/57/38/450715738.db2.gz CFQAXQIWCYCMFD-CABCVRRESA-N 2 1 339.505 1.977 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624120602 450715741 /nfs/dbraw/zinc/71/57/41/450715741.db2.gz CFQAXQIWCYCMFD-CABCVRRESA-N 2 1 339.505 1.977 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000629543267 450729613 /nfs/dbraw/zinc/72/96/13/450729613.db2.gz XNOUDVLWFXSLSY-IAGOWNOFSA-N 2 1 329.448 1.110 20 0 EDADMP Cc1cncc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000629543267 450729616 /nfs/dbraw/zinc/72/96/16/450729616.db2.gz XNOUDVLWFXSLSY-IAGOWNOFSA-N 2 1 329.448 1.110 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000635183925 450726738 /nfs/dbraw/zinc/72/67/38/450726738.db2.gz VWUVQQPMQGXSNS-UHFFFAOYSA-N 2 1 343.512 1.397 20 0 EDADMP O[C@H](C[NH2+]CCCN1CCN(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000629555169 450733071 /nfs/dbraw/zinc/73/30/71/450733071.db2.gz YHVWTGJVFQVPMA-HXUWFJFHSA-N 2 1 346.519 1.245 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2([NH3+])CCOCC2)CC1 ZINC000629653502 450772279 /nfs/dbraw/zinc/77/22/79/450772279.db2.gz IJZGDGYLYACZIX-UHFFFAOYSA-N 3 1 346.519 1.816 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000629568753 450740350 /nfs/dbraw/zinc/74/03/50/450740350.db2.gz WKBPFCFMXYKSKO-UONOGXRCSA-N 2 1 325.428 1.559 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)CCC[NH+](C)C)C1 ZINC000631787428 450777137 /nfs/dbraw/zinc/77/71/37/450777137.db2.gz DAPUPZOMSZLIBE-RDJZCZTQSA-N 2 1 339.505 1.693 20 0 EDADMP O=C(CC[C@H]1CCC[NH2+]C1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000621641265 450807346 /nfs/dbraw/zinc/80/73/46/450807346.db2.gz FNGWSPDYFZDIMI-QGZVFWFLSA-N 2 1 345.487 1.915 20 0 EDADMP C[N@H+]1CCCC[C@@H](CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000624382547 450822683 /nfs/dbraw/zinc/82/26/83/450822683.db2.gz GFYNOURDPDSMPS-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000621668836 450823995 /nfs/dbraw/zinc/82/39/95/450823995.db2.gz SXJUQYFLIMDLEG-BRWVUGGUSA-N 2 1 335.492 1.526 20 0 EDADMP [NH3+][C@]12CCC[C@H]1CN(CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000621783032 450866816 /nfs/dbraw/zinc/86/68/16/450866816.db2.gz WHGQVKQRUDETSQ-ICSRJNTNSA-N 2 1 342.487 1.144 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)c[nH]c1=O ZINC000621821636 450878569 /nfs/dbraw/zinc/87/85/69/450878569.db2.gz ZPPWVEWLDOXFTJ-CQSZACIVSA-N 2 1 338.427 1.414 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000631943400 450901486 /nfs/dbraw/zinc/90/14/86/450901486.db2.gz VJCNGBNTOCOWSD-HNNXBMFYSA-N 2 1 325.478 1.480 20 0 EDADMP CCC(CC)[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+]1CCOCC1 ZINC000629945681 450905427 /nfs/dbraw/zinc/90/54/27/450905427.db2.gz RUICDBBSMGYKSP-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP CCC(CC)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+]1CCOCC1 ZINC000629945681 450905432 /nfs/dbraw/zinc/90/54/32/450905432.db2.gz RUICDBBSMGYKSP-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624610479 450919690 /nfs/dbraw/zinc/91/96/90/450919690.db2.gz SXJLBPPGFFJIBR-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP Cc1cc(N2CCC(NC(=O)C[N@@H+](C)C3CCC3)CC2)nc(C)[nH+]1 ZINC000629970626 450926701 /nfs/dbraw/zinc/92/67/01/450926701.db2.gz SNNQYMZYYLNCOH-UHFFFAOYSA-N 2 1 331.464 1.663 20 0 EDADMP Cc1cc(N2CCC(NC(=O)C[N@H+](C)C3CCC3)CC2)nc(C)[nH+]1 ZINC000629970626 450926705 /nfs/dbraw/zinc/92/67/05/450926705.db2.gz SNNQYMZYYLNCOH-UHFFFAOYSA-N 2 1 331.464 1.663 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000626928259 451011750 /nfs/dbraw/zinc/01/17/50/451011750.db2.gz QJEXQUJIKCCNIR-ZQDZILKHSA-N 2 1 326.485 1.314 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000626939585 451020598 /nfs/dbraw/zinc/02/05/98/451020598.db2.gz JUZJHBOUVZASPE-KRWDZBQOSA-N 2 1 334.464 1.186 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000635533856 451029461 /nfs/dbraw/zinc/02/94/61/451029461.db2.gz AMQLMBXDBIOMAH-QGZVFWFLSA-N 2 1 347.507 1.635 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000635533856 451029464 /nfs/dbraw/zinc/02/94/64/451029464.db2.gz AMQLMBXDBIOMAH-QGZVFWFLSA-N 2 1 347.507 1.635 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000632128194 451057512 /nfs/dbraw/zinc/05/75/12/451057512.db2.gz SQDXOFFLQOXLGW-GOEBONIOSA-N 2 1 341.521 1.359 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000632128194 451057515 /nfs/dbraw/zinc/05/75/15/451057515.db2.gz SQDXOFFLQOXLGW-GOEBONIOSA-N 2 1 341.521 1.359 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000622132994 451058675 /nfs/dbraw/zinc/05/86/75/451058675.db2.gz NAEKWIFRVIJKOY-QGZVFWFLSA-N 2 1 338.540 1.783 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000622132994 451058680 /nfs/dbraw/zinc/05/86/80/451058680.db2.gz NAEKWIFRVIJKOY-QGZVFWFLSA-N 2 1 338.540 1.783 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000622132994 451058684 /nfs/dbraw/zinc/05/86/84/451058684.db2.gz NAEKWIFRVIJKOY-QGZVFWFLSA-N 2 1 338.540 1.783 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000626997732 451063194 /nfs/dbraw/zinc/06/31/94/451063194.db2.gz CAUSOTYKQOUWAA-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccc2ccccc2c1 ZINC000627082810 451115546 /nfs/dbraw/zinc/11/55/46/451115546.db2.gz MDADXBIYXLGMGT-QZTJIDSGSA-N 2 1 342.443 1.205 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(C2CC2)nn1 ZINC000625025063 451117377 /nfs/dbraw/zinc/11/73/77/451117377.db2.gz KSXNCZXKDBURFL-HNNXBMFYSA-N 2 1 334.468 1.101 20 0 EDADMP Cc1cc(NC(=O)[C@H](C)C[NH+]2CCOCC2)n(C2CC[NH+](C)CC2)n1 ZINC000622417354 451146735 /nfs/dbraw/zinc/14/67/35/451146735.db2.gz BSKHTLJDTOSFMT-CQSZACIVSA-N 2 1 349.479 1.365 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627155906 451153018 /nfs/dbraw/zinc/15/30/18/451153018.db2.gz LOEYJRJBTLLORM-UHFFFAOYSA-N 2 1 346.475 1.330 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C[NH2+]1 ZINC000627193234 451179622 /nfs/dbraw/zinc/17/96/22/451179622.db2.gz FMGQQIZBEHOVFT-AEFFLSMTSA-N 2 1 330.476 1.697 20 0 EDADMP Cc1ncc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000628214324 451184494 /nfs/dbraw/zinc/18/44/94/451184494.db2.gz SQOUBJOLFHUOAA-QGZVFWFLSA-N 2 1 342.443 1.970 20 0 EDADMP Cc1ncc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000628214324 451184499 /nfs/dbraw/zinc/18/44/99/451184499.db2.gz SQOUBJOLFHUOAA-QGZVFWFLSA-N 2 1 342.443 1.970 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638085385 451249391 /nfs/dbraw/zinc/24/93/91/451249391.db2.gz KKCXCSNLUIOIIZ-LMMKCTJWSA-N 2 1 337.508 1.855 20 0 EDADMP Cc1nn(Cc2cn(CC[N@@H+](C)CCC[NH+](C)C)nn2)c(C)c1C ZINC000630611851 451275595 /nfs/dbraw/zinc/27/55/95/451275595.db2.gz LTZDYEIUUISMAN-UHFFFAOYSA-N 2 1 333.484 1.332 20 0 EDADMP Cc1nn(Cc2cn(CC[N@H+](C)CCC[NH+](C)C)nn2)c(C)c1C ZINC000630611851 451275601 /nfs/dbraw/zinc/27/56/01/451275601.db2.gz LTZDYEIUUISMAN-UHFFFAOYSA-N 2 1 333.484 1.332 20 0 EDADMP [NH3+]C1(CC(=O)NCCc2ncc[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000638114280 451282781 /nfs/dbraw/zinc/28/27/81/451282781.db2.gz VDHHKSUBSYQKNE-UHFFFAOYSA-N 2 1 341.459 1.452 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635845982 451293408 /nfs/dbraw/zinc/29/34/08/451293408.db2.gz QJNAHVLZWDMWOQ-UHFFFAOYSA-N 2 1 331.464 1.381 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638125692 451295018 /nfs/dbraw/zinc/29/50/18/451295018.db2.gz GIAPTFXOAHFYCL-RTBURBONSA-N 2 1 346.519 1.779 20 0 EDADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638125692 451295024 /nfs/dbraw/zinc/29/50/24/451295024.db2.gz GIAPTFXOAHFYCL-RTBURBONSA-N 2 1 346.519 1.779 20 0 EDADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638125692 451295030 /nfs/dbraw/zinc/29/50/30/451295030.db2.gz GIAPTFXOAHFYCL-RTBURBONSA-N 2 1 346.519 1.779 20 0 EDADMP [NH3+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000638138580 451312776 /nfs/dbraw/zinc/31/27/76/451312776.db2.gz IBXVWDSMFUXGIP-SCTDSRPQSA-N 2 1 329.444 1.085 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638234034 451372943 /nfs/dbraw/zinc/37/29/43/451372943.db2.gz KGLICORZCCNAGA-IEBWSBKVSA-N 2 1 330.476 1.048 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638234034 451372946 /nfs/dbraw/zinc/37/29/46/451372946.db2.gz KGLICORZCCNAGA-IEBWSBKVSA-N 2 1 330.476 1.048 20 0 EDADMP c1cc(OCCN2CCOCC2)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000638186732 451344832 /nfs/dbraw/zinc/34/48/32/451344832.db2.gz ZGTCYQSAJZJULO-QZTJIDSGSA-N 2 1 331.460 1.049 20 0 EDADMP O=C(CN1CC[NH2+]CC1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000638278224 451396515 /nfs/dbraw/zinc/39/65/15/451396515.db2.gz YRMLLQPGFAUDOD-UHFFFAOYSA-N 2 1 344.503 1.059 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000632575497 451417832 /nfs/dbraw/zinc/41/78/32/451417832.db2.gz QJTQCXVGCFGWTO-UHFFFAOYSA-N 2 1 329.510 1.122 20 0 EDADMP O=S(=O)(CCC[NH+]1CCCC1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000632591777 451430841 /nfs/dbraw/zinc/43/08/41/451430841.db2.gz HJABORXMNGMMRK-QGZVFWFLSA-N 2 1 343.537 1.799 20 0 EDADMP O[C@H](C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)CC1(O)CCOCC1 ZINC000634642486 451434839 /nfs/dbraw/zinc/43/48/39/451434839.db2.gz LACSWMQSERBOLL-IBGZPJMESA-N 2 1 348.487 1.317 20 0 EDADMP O[C@H](C[NH2+]CCC[N@H+]1CCc2ccccc2C1)CC1(O)CCOCC1 ZINC000634642486 451434843 /nfs/dbraw/zinc/43/48/43/451434843.db2.gz LACSWMQSERBOLL-IBGZPJMESA-N 2 1 348.487 1.317 20 0 EDADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640609740 451457609 /nfs/dbraw/zinc/45/76/09/451457609.db2.gz VOWXPCXZOAHYCR-INIZCTEOSA-N 2 1 337.468 1.622 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@]2(COC)CCCC[NH2+]2)CC[N@H+]1CCOC ZINC000638376473 451472361 /nfs/dbraw/zinc/47/23/61/451472361.db2.gz AWFLWVDNWDXBMH-WMZOPIPTSA-N 2 1 341.496 1.104 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638384964 451477870 /nfs/dbraw/zinc/47/78/70/451477870.db2.gz GWAGDLJEUYNPOF-IBGZPJMESA-N 2 1 340.471 1.482 20 0 EDADMP Cc1c(C[NH3+])c(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000638401362 451489084 /nfs/dbraw/zinc/48/90/84/451489084.db2.gz CFSVVQLWTXJACS-HNNXBMFYSA-N 2 1 327.432 1.648 20 0 EDADMP O[C@]1(C[NH+]2CC(C3CCOCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634647798 451442282 /nfs/dbraw/zinc/44/22/82/451442282.db2.gz FWOVLVAREOPCDQ-HXUWFJFHSA-N 2 1 330.472 1.982 20 0 EDADMP O[C@]1(C[NH+]2CC(C3CCOCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634647798 451442287 /nfs/dbraw/zinc/44/22/87/451442287.db2.gz FWOVLVAREOPCDQ-HXUWFJFHSA-N 2 1 330.472 1.982 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000636026578 451447189 /nfs/dbraw/zinc/44/71/89/451447189.db2.gz PFFKAHCAXPELGA-KBAYOESNSA-N 2 1 333.476 1.590 20 0 EDADMP C[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000638447586 451520163 /nfs/dbraw/zinc/52/01/63/451520163.db2.gz GRFCBCNGKCVBJX-APWZRJJASA-N 2 1 331.460 1.475 20 0 EDADMP C[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000638447586 451520167 /nfs/dbraw/zinc/52/01/67/451520167.db2.gz GRFCBCNGKCVBJX-APWZRJJASA-N 2 1 331.460 1.475 20 0 EDADMP C[C@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000638447587 451521079 /nfs/dbraw/zinc/52/10/79/451521079.db2.gz GRFCBCNGKCVBJX-LPHOPBHVSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000638447587 451521082 /nfs/dbraw/zinc/52/10/82/451521082.db2.gz GRFCBCNGKCVBJX-LPHOPBHVSA-N 2 1 331.460 1.475 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000636144170 451546210 /nfs/dbraw/zinc/54/62/10/451546210.db2.gz YPKZSAYLAKXYNJ-IAGOWNOFSA-N 2 1 341.496 1.104 20 0 EDADMP COCCOCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000636144170 451546215 /nfs/dbraw/zinc/54/62/15/451546215.db2.gz YPKZSAYLAKXYNJ-IAGOWNOFSA-N 2 1 341.496 1.104 20 0 EDADMP COCCOCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000636144170 451546222 /nfs/dbraw/zinc/54/62/22/451546222.db2.gz YPKZSAYLAKXYNJ-IAGOWNOFSA-N 2 1 341.496 1.104 20 0 EDADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631050253 451555376 /nfs/dbraw/zinc/55/53/76/451555376.db2.gz WXHDUHQXZAYOEX-CYBMUJFWSA-N 2 1 345.896 1.809 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631050253 451555381 /nfs/dbraw/zinc/55/53/81/451555381.db2.gz WXHDUHQXZAYOEX-CYBMUJFWSA-N 2 1 345.896 1.809 20 0 EDADMP CCn1ncnc1C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000638526048 451558264 /nfs/dbraw/zinc/55/82/64/451558264.db2.gz ZPQLWBWSFYLMKF-UHFFFAOYSA-N 2 1 332.452 1.905 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CO[C@H](C4CC4)C3)CC2)CC1 ZINC000629128828 451561182 /nfs/dbraw/zinc/56/11/82/451561182.db2.gz VYQVBNMEEWZCIE-HKUYNNGSSA-N 2 1 349.519 1.866 20 0 EDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000631069784 451567343 /nfs/dbraw/zinc/56/73/43/451567343.db2.gz XMPPMZWAJFYEOG-LJQANCHMSA-N 3 1 347.503 1.829 20 0 EDADMP [NH3+]CC1(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCOCC1 ZINC000638634339 451622998 /nfs/dbraw/zinc/62/29/98/451622998.db2.gz ORZBNWSRBOGDDU-MRXNPFEDSA-N 2 1 349.450 1.662 20 0 EDADMP c1csc([C@@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c2nnc[nH]2)c1 ZINC000635007918 451647758 /nfs/dbraw/zinc/64/77/58/451647758.db2.gz BRWCJBYJQFYNNS-OAHLLOKOSA-N 2 1 341.444 1.872 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)CC(C)(C)C ZINC000636279383 451647843 /nfs/dbraw/zinc/64/78/43/451647843.db2.gz NQXKMTXMSVOMEA-UHFFFAOYSA-N 2 1 325.497 1.678 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638800535 451695229 /nfs/dbraw/zinc/69/52/29/451695229.db2.gz NBIYNNSEYVPSGZ-LNLFQRSKSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638849720 451709577 /nfs/dbraw/zinc/70/95/77/451709577.db2.gz DZWOMWKJFNPJBX-SZVBFZGTSA-N 2 1 331.460 1.249 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC[N@H+]1C ZINC000631267646 451671114 /nfs/dbraw/zinc/67/11/14/451671114.db2.gz KMDRMHNUSPHOKM-DLBZAZTESA-N 3 1 326.529 1.449 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000637151133 451741525 /nfs/dbraw/zinc/74/15/25/451741525.db2.gz XPJDZCIHTUPMPA-RYQLBKOJSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC000637151133 451741528 /nfs/dbraw/zinc/74/15/28/451741528.db2.gz XPJDZCIHTUPMPA-RYQLBKOJSA-N 2 1 346.475 1.015 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3csc(C[NH3+])n3)C2)cc1 ZINC000639004700 451751020 /nfs/dbraw/zinc/75/10/20/451751020.db2.gz JFKUKWKZNWAVKG-CQSZACIVSA-N 2 1 330.457 1.915 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3csc(C[NH3+])n3)C2)cc1 ZINC000639004700 451751023 /nfs/dbraw/zinc/75/10/23/451751023.db2.gz JFKUKWKZNWAVKG-CQSZACIVSA-N 2 1 330.457 1.915 20 0 EDADMP CCOc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)nc1 ZINC000641115369 451754064 /nfs/dbraw/zinc/75/40/64/451754064.db2.gz DIEPDPRZIISJLV-UHFFFAOYSA-N 2 1 330.436 1.086 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000641997308 451803709 /nfs/dbraw/zinc/80/37/09/451803709.db2.gz FERLLYMBTFMTBB-MRXNPFEDSA-N 2 1 341.544 1.432 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000641997308 451803713 /nfs/dbraw/zinc/80/37/13/451803713.db2.gz FERLLYMBTFMTBB-MRXNPFEDSA-N 2 1 341.544 1.432 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000641997308 451803716 /nfs/dbraw/zinc/80/37/16/451803716.db2.gz FERLLYMBTFMTBB-MRXNPFEDSA-N 2 1 341.544 1.432 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000637385389 451816390 /nfs/dbraw/zinc/81/63/90/451816390.db2.gz AOWTWDJJLKIXRZ-WBVHZDCISA-N 2 1 348.491 1.909 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000637385389 451816391 /nfs/dbraw/zinc/81/63/91/451816391.db2.gz AOWTWDJJLKIXRZ-WBVHZDCISA-N 2 1 348.491 1.909 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000644539341 451851169 /nfs/dbraw/zinc/85/11/69/451851169.db2.gz CBAWUHZLNBQQBX-ZWKOTPCHSA-N 2 1 333.476 1.157 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000644567350 451866105 /nfs/dbraw/zinc/86/61/05/451866105.db2.gz VSXVQEVRKIXNMB-GUDVDZBRSA-N 2 1 347.503 1.716 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000644567350 451866110 /nfs/dbraw/zinc/86/61/10/451866110.db2.gz VSXVQEVRKIXNMB-GUDVDZBRSA-N 2 1 347.503 1.716 20 0 EDADMP C[C@@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000649131919 451866126 /nfs/dbraw/zinc/86/61/26/451866126.db2.gz GIBGLHISVGDWPW-KRWDZBQOSA-N 2 1 345.487 1.830 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642645413 451906735 /nfs/dbraw/zinc/90/67/35/451906735.db2.gz JZZROJODAJJALO-CVEARBPZSA-N 2 1 338.496 1.016 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000653415339 451927953 /nfs/dbraw/zinc/92/79/53/451927953.db2.gz WIBAJLSWIXJMIO-INIZCTEOSA-N 2 1 342.447 1.753 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)Nc3cccc(C[NH3+])c3)ccn2)CC1 ZINC000649268568 451941093 /nfs/dbraw/zinc/94/10/93/451941093.db2.gz TXUIUHLDFBMIEO-UHFFFAOYSA-N 2 1 325.416 1.544 20 0 EDADMP [NH3+][C@H](CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000649279245 451950682 /nfs/dbraw/zinc/95/06/82/451950682.db2.gz AFVIQYJBDMYMME-ZWKOTPCHSA-N 2 1 331.460 1.270 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000646928322 451944873 /nfs/dbraw/zinc/94/48/73/451944873.db2.gz XKUFHCQGBJHWHH-RBUKOAKNSA-N 2 1 342.487 1.210 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)cc2)CC1 ZINC000646928322 451944894 /nfs/dbraw/zinc/94/48/94/451944894.db2.gz XKUFHCQGBJHWHH-RBUKOAKNSA-N 2 1 342.487 1.210 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)cc2)CC1 ZINC000646928322 451944901 /nfs/dbraw/zinc/94/49/01/451944901.db2.gz XKUFHCQGBJHWHH-RBUKOAKNSA-N 2 1 342.487 1.210 20 0 EDADMP Cc1ccc([C@H](CNC(=O)[C@]2(N)CC[N@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000649310088 451988357 /nfs/dbraw/zinc/98/83/57/451988357.db2.gz OXVWPSHGTNHNSL-HKUYNNGSSA-N 2 1 330.476 1.281 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000653566580 452018739 /nfs/dbraw/zinc/01/87/39/452018739.db2.gz ZMCXFSPCYHEUBU-MOPGFXCFSA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000653566580 452018746 /nfs/dbraw/zinc/01/87/46/452018746.db2.gz ZMCXFSPCYHEUBU-MOPGFXCFSA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000653566580 452018751 /nfs/dbraw/zinc/01/87/51/452018751.db2.gz ZMCXFSPCYHEUBU-MOPGFXCFSA-N 2 1 335.492 1.132 20 0 EDADMP C[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649340213 452021430 /nfs/dbraw/zinc/02/14/30/452021430.db2.gz JRXSMQFPRPVUMR-NVXWUHKLSA-N 2 1 333.476 1.910 20 0 EDADMP C[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649340213 452021436 /nfs/dbraw/zinc/02/14/36/452021436.db2.gz JRXSMQFPRPVUMR-NVXWUHKLSA-N 2 1 333.476 1.910 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682193 452021609 /nfs/dbraw/zinc/02/16/09/452021609.db2.gz MMDCGCKEVWPXCK-DOTOQJQBSA-N 2 1 332.448 1.277 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682193 452021613 /nfs/dbraw/zinc/02/16/13/452021613.db2.gz MMDCGCKEVWPXCK-DOTOQJQBSA-N 2 1 332.448 1.277 20 0 EDADMP COC[C@]1(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649343642 452024216 /nfs/dbraw/zinc/02/42/16/452024216.db2.gz MGJJOPPSYMTNSL-IEZWGBDMSA-N 2 1 331.460 1.534 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C1CCC([NH3+])CC1 ZINC000649352768 452037510 /nfs/dbraw/zinc/03/75/10/452037510.db2.gz JMEXIXCQTKNXIK-UHFFFAOYSA-N 2 1 344.503 1.785 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C[C@H]21 ZINC000649355855 452038722 /nfs/dbraw/zinc/03/87/22/452038722.db2.gz WTNRIZMJAQHJHM-VDHUWJSZSA-N 2 1 328.460 1.632 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C[C@H]21 ZINC000649355855 452038731 /nfs/dbraw/zinc/03/87/31/452038731.db2.gz WTNRIZMJAQHJHM-VDHUWJSZSA-N 2 1 328.460 1.632 20 0 EDADMP C[N@H+](CC[C@H]1CCNC1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000653625776 452048040 /nfs/dbraw/zinc/04/80/40/452048040.db2.gz REFYGZBOBLUEQZ-MJGOQNOKSA-N 2 1 331.460 1.081 20 0 EDADMP C[N@@H+](CC[C@H]1CCNC1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000653625776 452048045 /nfs/dbraw/zinc/04/80/45/452048045.db2.gz REFYGZBOBLUEQZ-MJGOQNOKSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+](CC[C@H]1CCNC1=O)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000653625776 452048052 /nfs/dbraw/zinc/04/80/52/452048052.db2.gz REFYGZBOBLUEQZ-MJGOQNOKSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+](CC[C@H]1CCNC1=O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000653625776 452048057 /nfs/dbraw/zinc/04/80/57/452048057.db2.gz REFYGZBOBLUEQZ-MJGOQNOKSA-N 2 1 331.460 1.081 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649378552 452051609 /nfs/dbraw/zinc/05/16/09/452051609.db2.gz IVDZSPTXAQEDSU-SJLPKXTDSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H](c1ccncc1)[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000649420764 452082768 /nfs/dbraw/zinc/08/27/68/452082768.db2.gz RKOQQGGZZDXAHY-COXVUDFISA-N 2 1 329.448 1.363 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@H+]3CCC4(C3)CC[NH+](C)CC4)C2=O)cn1 ZINC000639758626 452095777 /nfs/dbraw/zinc/09/57/77/452095777.db2.gz WSWJAMSJDIAGPM-INIZCTEOSA-N 2 1 331.464 1.333 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000639766096 452106592 /nfs/dbraw/zinc/10/65/92/452106592.db2.gz NYWILDIHTYBCLD-AEFFLSMTSA-N 2 1 340.439 1.092 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000639766096 452106599 /nfs/dbraw/zinc/10/65/99/452106599.db2.gz NYWILDIHTYBCLD-AEFFLSMTSA-N 2 1 340.439 1.092 20 0 EDADMP COc1ncncc1CNCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000647177312 452107389 /nfs/dbraw/zinc/10/73/89/452107389.db2.gz UUXOJIUQZPLJER-UHFFFAOYSA-N 2 1 342.447 1.182 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000637836212 452108313 /nfs/dbraw/zinc/10/83/13/452108313.db2.gz WNAZGGJYQFLZDV-SFHVURJKSA-N 3 1 344.503 1.438 20 0 EDADMP C[C@H]1CN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000637839322 452110277 /nfs/dbraw/zinc/11/02/77/452110277.db2.gz JDQDWLLAYIVXPE-IRXDYDNUSA-N 3 1 344.503 1.579 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)Cc2cn3c(n2)CCCC3)CC1 ZINC000651875719 452136004 /nfs/dbraw/zinc/13/60/04/452136004.db2.gz ZFTFNSNGGCUFNW-UHFFFAOYSA-N 2 1 342.447 1.281 20 0 EDADMP COc1cccc(OCC[NH+]2CCN(C[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000649552603 452140966 /nfs/dbraw/zinc/14/09/66/452140966.db2.gz OUQDSQQTMYFKJF-KRWDZBQOSA-N 2 1 333.476 1.786 20 0 EDADMP COc1cccc(OCC[NH+]2CCN(C[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000649552603 452140974 /nfs/dbraw/zinc/14/09/74/452140974.db2.gz OUQDSQQTMYFKJF-KRWDZBQOSA-N 2 1 333.476 1.786 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000641624331 452145086 /nfs/dbraw/zinc/14/50/86/452145086.db2.gz GSGPHEYNDZKYFW-XHSDSOJGSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000641624331 452145092 /nfs/dbraw/zinc/14/50/92/452145092.db2.gz GSGPHEYNDZKYFW-XHSDSOJGSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H]1CN(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC[NH+](C2CC2)C1 ZINC000649661429 452186402 /nfs/dbraw/zinc/18/64/02/452186402.db2.gz CERPDKLZDHMZEV-PXNSSMCTSA-N 2 1 331.504 1.895 20 0 EDADMP C[C@H]1CN(C[C@@H](O)C[NH+](C)Cc2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000649661429 452186405 /nfs/dbraw/zinc/18/64/05/452186405.db2.gz CERPDKLZDHMZEV-PXNSSMCTSA-N 2 1 331.504 1.895 20 0 EDADMP C[C@H]1CN(C[C@@H](O)C[NH+](C)Cc2ccccc2)CC[N@H+](C2CC2)C1 ZINC000649661429 452186409 /nfs/dbraw/zinc/18/64/09/452186409.db2.gz CERPDKLZDHMZEV-PXNSSMCTSA-N 2 1 331.504 1.895 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)CCO2 ZINC000645183035 452199414 /nfs/dbraw/zinc/19/94/14/452199414.db2.gz UYTPLAKTURNVBK-CVEARBPZSA-N 2 1 336.480 1.119 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@H+]3CCCC[C@H]13)CCO2 ZINC000645183038 452199739 /nfs/dbraw/zinc/19/97/39/452199739.db2.gz UYTPLAKTURNVBK-JKSUJKDBSA-N 2 1 336.480 1.119 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cn2)CC1 ZINC000647480706 452227136 /nfs/dbraw/zinc/22/71/36/452227136.db2.gz XSQNUTMLSBJUCV-ZWKOTPCHSA-N 2 1 344.507 1.192 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)CC2)nc(C)[nH+]1 ZINC000655451462 452245501 /nfs/dbraw/zinc/24/55/01/452245501.db2.gz PMPWFIASOOPSTR-APWZRJJASA-N 2 1 343.475 1.568 20 0 EDADMP C[C@@H](CO)[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC[C@H]1[C@H](C)CO ZINC000661446324 452248564 /nfs/dbraw/zinc/24/85/64/452248564.db2.gz SHAJDSQJGUXUAF-DQCOHUIHSA-N 2 1 342.524 1.313 20 0 EDADMP C[C@@H](CO)[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661446324 452248572 /nfs/dbraw/zinc/24/85/72/452248572.db2.gz SHAJDSQJGUXUAF-DQCOHUIHSA-N 2 1 342.524 1.313 20 0 EDADMP C[C@@H](CO)[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661446324 452248581 /nfs/dbraw/zinc/24/85/81/452248581.db2.gz SHAJDSQJGUXUAF-DQCOHUIHSA-N 2 1 342.524 1.313 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655459265 452252770 /nfs/dbraw/zinc/25/27/70/452252770.db2.gz BVAHOSQEUGNXHH-JTDSTZFVSA-N 2 1 329.444 1.558 20 0 EDADMP CCN(C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663554335 452261984 /nfs/dbraw/zinc/26/19/84/452261984.db2.gz QGXJACLHUULUQR-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP CCN(C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663554335 452261994 /nfs/dbraw/zinc/26/19/94/452261994.db2.gz QGXJACLHUULUQR-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000647529954 452264849 /nfs/dbraw/zinc/26/48/49/452264849.db2.gz YLABSJGVWMQEOZ-WOJBJXKFSA-N 2 1 346.446 1.812 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000647529954 452264859 /nfs/dbraw/zinc/26/48/59/452264859.db2.gz YLABSJGVWMQEOZ-WOJBJXKFSA-N 2 1 346.446 1.812 20 0 EDADMP Cc1cccc(C[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000647529769 452265197 /nfs/dbraw/zinc/26/51/97/452265197.db2.gz AIGKBNHADQFQMD-LEWJYISDSA-N 2 1 342.483 1.981 20 0 EDADMP Cc1cccc(C[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000647529769 452265207 /nfs/dbraw/zinc/26/52/07/452265207.db2.gz AIGKBNHADQFQMD-LEWJYISDSA-N 2 1 342.483 1.981 20 0 EDADMP O=C(NC1CC1)c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647541634 452275572 /nfs/dbraw/zinc/27/55/72/452275572.db2.gz SSAXJAZQGGNTPJ-GOSISDBHSA-N 2 1 328.460 1.058 20 0 EDADMP C[C@H](CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000655487877 452284222 /nfs/dbraw/zinc/28/42/22/452284222.db2.gz OOCCLJRUGSWLMO-FPCVCCKLSA-N 2 1 325.497 1.626 20 0 EDADMP C[C@H](CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000655487877 452284234 /nfs/dbraw/zinc/28/42/34/452284234.db2.gz OOCCLJRUGSWLMO-FPCVCCKLSA-N 2 1 325.497 1.626 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCC2 ZINC000643548083 452307362 /nfs/dbraw/zinc/30/73/62/452307362.db2.gz MDSDNMXQJACISK-PBHICJAKSA-N 2 1 349.500 1.976 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000659456979 452307605 /nfs/dbraw/zinc/30/76/05/452307605.db2.gz VELKPRBCPUPGOC-FPCVCCKLSA-N 2 1 344.475 1.204 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000639987734 452320304 /nfs/dbraw/zinc/32/03/04/452320304.db2.gz OPXPQEOSMDHYNT-QGZVFWFLSA-N 2 1 340.508 1.619 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659465452 452321607 /nfs/dbraw/zinc/32/16/07/452321607.db2.gz KYANMZQUTXTNPH-FTSJTYPLSA-N 2 1 342.487 1.948 20 0 EDADMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665757808 452324942 /nfs/dbraw/zinc/32/49/42/452324942.db2.gz XBXAEYVAEBWXSG-INIZCTEOSA-N 3 1 341.544 1.430 20 0 EDADMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665757808 452324945 /nfs/dbraw/zinc/32/49/45/452324945.db2.gz XBXAEYVAEBWXSG-INIZCTEOSA-N 3 1 341.544 1.430 20 0 EDADMP Cc1ccc(NCCCNC(=O)NCc2ccc(C[NH3+])cc2F)[nH+]c1 ZINC000652130598 452325568 /nfs/dbraw/zinc/32/55/68/452325568.db2.gz TYAJHULSTRXPKM-UHFFFAOYSA-N 2 1 345.422 1.711 20 0 EDADMP [NH3+]C/C=C/CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000641864902 452330436 /nfs/dbraw/zinc/33/04/36/452330436.db2.gz LAMCEVBZDDCURY-SNAWJCMRSA-N 2 1 330.476 1.851 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000638055795 452341335 /nfs/dbraw/zinc/34/13/35/452341335.db2.gz KBSCKGILUVURPM-HKUYNNGSSA-N 2 1 349.450 1.627 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000638055795 452341341 /nfs/dbraw/zinc/34/13/41/452341341.db2.gz KBSCKGILUVURPM-HKUYNNGSSA-N 2 1 349.450 1.627 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](C)[C@@H]1CCO ZINC000665763620 452345700 /nfs/dbraw/zinc/34/57/00/452345700.db2.gz HITCGPDQFFDWIM-IKGGRYGDSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](C)[C@@H]1CCO ZINC000665763620 452345715 /nfs/dbraw/zinc/34/57/15/452345715.db2.gz HITCGPDQFFDWIM-IKGGRYGDSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1F)C[NH+]1CCOCC1 ZINC000652155919 452349691 /nfs/dbraw/zinc/34/96/91/452349691.db2.gz QCYPRFABQORUPG-CYBMUJFWSA-N 2 1 338.427 1.052 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652212664 452406114 /nfs/dbraw/zinc/40/61/14/452406114.db2.gz KMBIQDWEHWWMQK-QUCCMNQESA-N 2 1 344.503 1.944 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652212664 452406119 /nfs/dbraw/zinc/40/61/19/452406119.db2.gz KMBIQDWEHWWMQK-QUCCMNQESA-N 2 1 344.503 1.944 20 0 EDADMP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000652224961 452417486 /nfs/dbraw/zinc/41/74/86/452417486.db2.gz MGRFYIMXQJXISB-KRWDZBQOSA-N 2 1 333.480 1.715 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000652224961 452417494 /nfs/dbraw/zinc/41/74/94/452417494.db2.gz MGRFYIMXQJXISB-KRWDZBQOSA-N 2 1 333.480 1.715 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000659611632 452468055 /nfs/dbraw/zinc/46/80/55/452468055.db2.gz SRAVFHPUSSZXRK-LUKYLMHMSA-N 2 1 338.496 1.399 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000655680958 452506526 /nfs/dbraw/zinc/50/65/26/452506526.db2.gz QSVPRIAZUOAZDW-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(S(=O)(=O)NC4CC4)cc3)C[C@H]21 ZINC000652340428 452510238 /nfs/dbraw/zinc/51/02/38/452510238.db2.gz UHZFIJBEXUJCEV-ZTFGCOKTSA-N 2 1 349.500 1.687 20 0 EDADMP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346175 452518941 /nfs/dbraw/zinc/51/89/41/452518941.db2.gz VEBGOUIURFCSJI-XGXHKWSGSA-N 2 1 345.487 1.910 20 0 EDADMP COc1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652346025 452520353 /nfs/dbraw/zinc/52/03/53/452520353.db2.gz RMHGNTGBLLGKMC-HDMKZQKVSA-N 2 1 347.459 1.852 20 0 EDADMP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346650 452521860 /nfs/dbraw/zinc/52/18/60/452521860.db2.gz CQFQPHIFPSFBOJ-XMTFNYHQSA-N 2 1 337.508 1.996 20 0 EDADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793386 452524202 /nfs/dbraw/zinc/52/42/02/452524202.db2.gz WEIBLEXKSBCBHR-FCMAGTKHSA-N 3 1 343.515 1.847 20 0 EDADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793386 452524209 /nfs/dbraw/zinc/52/42/09/452524209.db2.gz WEIBLEXKSBCBHR-FCMAGTKHSA-N 3 1 343.515 1.847 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCC(=O)Nc3cccnc3)C2)C1 ZINC000652349246 452526419 /nfs/dbraw/zinc/52/64/19/452526419.db2.gz HVCDOAZCIHRLTI-BFYDXBDKSA-N 2 1 332.448 1.629 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654460851 452527317 /nfs/dbraw/zinc/52/73/17/452527317.db2.gz BQMKBJLUJQBOKP-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654460851 452527320 /nfs/dbraw/zinc/52/73/20/452527320.db2.gz BQMKBJLUJQBOKP-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654460851 452527328 /nfs/dbraw/zinc/52/73/28/452527328.db2.gz BQMKBJLUJQBOKP-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CC(C)C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000647817428 452549432 /nfs/dbraw/zinc/54/94/32/452549432.db2.gz KHMQEBFUVDJUTA-HOTGVXAUSA-N 2 1 340.512 1.020 20 0 EDADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)Cn3cncn3)cc2)CC1 ZINC000657839606 452559070 /nfs/dbraw/zinc/55/90/70/452559070.db2.gz XANDVCNISOUXOH-KRWDZBQOSA-N 2 1 342.491 1.594 20 0 EDADMP C[C@@H](Cn1cncn1)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000657835185 452559781 /nfs/dbraw/zinc/55/97/81/452559781.db2.gz OKASIXSBRALHPF-PKOBYXMFSA-N 2 1 342.491 1.635 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000647824910 452559990 /nfs/dbraw/zinc/55/99/90/452559990.db2.gz DNNORVWGLAMSOV-SFHVURJKSA-N 2 1 336.524 1.203 20 0 EDADMP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835403 452572698 /nfs/dbraw/zinc/57/26/98/452572698.db2.gz XENGCVVVXRGNHX-CQSZACIVSA-N 2 1 338.883 1.182 20 0 EDADMP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835403 452572702 /nfs/dbraw/zinc/57/27/02/452572702.db2.gz XENGCVVVXRGNHX-CQSZACIVSA-N 2 1 338.883 1.182 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000647836186 452573101 /nfs/dbraw/zinc/57/31/01/452573101.db2.gz JMZIZGUWBDEMDZ-QGZVFWFLSA-N 2 1 334.439 1.158 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000647836186 452573108 /nfs/dbraw/zinc/57/31/08/452573108.db2.gz JMZIZGUWBDEMDZ-QGZVFWFLSA-N 2 1 334.439 1.158 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](C3CC3)[C@H]3CCCCO3)cn2)CC1 ZINC000655810856 452589744 /nfs/dbraw/zinc/58/97/44/452589744.db2.gz HMOSEFJQJDLRCY-QZTJIDSGSA-N 2 1 345.491 1.666 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1cccc(N(C)C)c1 ZINC000663878896 452603298 /nfs/dbraw/zinc/60/32/98/452603298.db2.gz NESBABFANUDKSC-INIZCTEOSA-N 2 1 349.523 1.824 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1cccc(N(C)C)c1 ZINC000663878896 452603308 /nfs/dbraw/zinc/60/33/08/452603308.db2.gz NESBABFANUDKSC-INIZCTEOSA-N 2 1 349.523 1.824 20 0 EDADMP O=C(C[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCCO1)N1CCCC1 ZINC000647889483 452631308 /nfs/dbraw/zinc/63/13/08/452631308.db2.gz VIARCMDPTFJYKK-SFHVURJKSA-N 2 1 337.508 1.870 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663940728 452661280 /nfs/dbraw/zinc/66/12/80/452661280.db2.gz CKSHZDDOVJUDFU-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655916052 452677394 /nfs/dbraw/zinc/67/73/94/452677394.db2.gz ZKZUDCKADMEKSW-TUAOUCFPSA-N 2 1 338.418 1.932 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)Cc1ccc(F)cc1 ZINC000655919177 452681317 /nfs/dbraw/zinc/68/13/17/452681317.db2.gz GCKRVSYNLWFRMT-LBPRGKRZSA-N 2 1 336.333 1.446 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000647941258 452684194 /nfs/dbraw/zinc/68/41/94/452684194.db2.gz ALONXMPKNMEETO-HNNXBMFYSA-N 2 1 325.420 1.811 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000647941258 452684203 /nfs/dbraw/zinc/68/42/03/452684203.db2.gz ALONXMPKNMEETO-HNNXBMFYSA-N 2 1 325.420 1.811 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000645685220 452687153 /nfs/dbraw/zinc/68/71/53/452687153.db2.gz WCIMFXMUCHDVDX-HIFRSBDPSA-N 2 1 340.265 1.833 20 0 EDADMP c1ccc(-n2nnnc2CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977634 452723102 /nfs/dbraw/zinc/72/31/02/452723102.db2.gz FNYWVXKSJIXVSR-IAGOWNOFSA-N 2 1 340.475 1.916 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971243 452751840 /nfs/dbraw/zinc/75/18/40/452751840.db2.gz XWMZXMOXDVENND-BPXZUEPWSA-N 2 1 338.496 1.253 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971243 452751845 /nfs/dbraw/zinc/75/18/45/452751845.db2.gz XWMZXMOXDVENND-BPXZUEPWSA-N 2 1 338.496 1.253 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000652617029 452774780 /nfs/dbraw/zinc/77/47/80/452774780.db2.gz NCPIYSRSQRYBKW-UHFFFAOYSA-N 2 1 345.451 1.272 20 0 EDADMP COc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)n1 ZINC000666337580 452785426 /nfs/dbraw/zinc/78/54/26/452785426.db2.gz PHEASKXXYYJQEJ-ZDUSSCGKSA-N 2 1 337.468 1.792 20 0 EDADMP COc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)n1 ZINC000666337580 452785434 /nfs/dbraw/zinc/78/54/34/452785434.db2.gz PHEASKXXYYJQEJ-ZDUSSCGKSA-N 2 1 337.468 1.792 20 0 EDADMP CO[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)[C@@H]1CCOC1 ZINC000659911501 452800434 /nfs/dbraw/zinc/80/04/34/452800434.db2.gz YNOFQJDELPQKPH-FGTMMUONSA-N 2 1 325.497 1.140 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+]C2(CC(C)C)CC2)C1 ZINC000662068911 452816700 /nfs/dbraw/zinc/81/67/00/452816700.db2.gz CLWQDPPCJJDBMQ-INIZCTEOSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc2nnc([C@@H]3C[C@H]3C)n2n1 ZINC000664195251 452870190 /nfs/dbraw/zinc/87/01/90/452870190.db2.gz LMXJAAWQTLNRSX-QLFBSQMISA-N 2 1 345.495 1.932 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc2nnc([C@@H]3C[C@H]3C)n2n1 ZINC000664195251 452870201 /nfs/dbraw/zinc/87/02/01/452870201.db2.gz LMXJAAWQTLNRSX-QLFBSQMISA-N 2 1 345.495 1.932 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)COC2(C)C[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000648162103 452871732 /nfs/dbraw/zinc/87/17/32/452871732.db2.gz JZRYLLNOVWTEJN-HOCLYGCPSA-N 2 1 337.851 1.580 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)COC2(C)C[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000648162103 452871738 /nfs/dbraw/zinc/87/17/38/452871738.db2.gz JZRYLLNOVWTEJN-HOCLYGCPSA-N 2 1 337.851 1.580 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2[NH2+]CC2(C)C)c1 ZINC000645908279 452892736 /nfs/dbraw/zinc/89/27/36/452892736.db2.gz DZMDGZVZSUCFIA-QGZVFWFLSA-N 2 1 349.475 1.258 20 0 EDADMP CC[N@H+](CCCNC(=O)[C@H](C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000652756819 452918183 /nfs/dbraw/zinc/91/81/83/452918183.db2.gz VDXQPIMLYAKKJG-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP CC[N@@H+](CCCNC(=O)[C@H](C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000652756819 452918192 /nfs/dbraw/zinc/91/81/92/452918192.db2.gz VDXQPIMLYAKKJG-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cnc(N4CCCC4)nc3)C2)C1 ZINC000650706682 452944107 /nfs/dbraw/zinc/94/41/07/452944107.db2.gz QHXCSFWSTRHOMS-KSZLIROESA-N 2 1 345.491 1.795 20 0 EDADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248486 452972764 /nfs/dbraw/zinc/97/27/64/452972764.db2.gz DCDNYMDOHAJDMB-RHSMWYFYSA-N 2 1 327.432 1.781 20 0 EDADMP C[N@H+](Cc1ccccc1N1CCOCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662260416 452989490 /nfs/dbraw/zinc/98/94/90/452989490.db2.gz LAEKVPMWODGDCN-QGZVFWFLSA-N 2 1 331.460 1.476 20 0 EDADMP COCCCCC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338963 453055475 /nfs/dbraw/zinc/05/54/75/453055475.db2.gz XSMOSWQBFKWHIY-INIZCTEOSA-N 2 1 335.496 1.815 20 0 EDADMP CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000644154769 453086782 /nfs/dbraw/zinc/08/67/82/453086782.db2.gz UZZFSPHUWVDRAE-IRXDYDNUSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000662385989 453094284 /nfs/dbraw/zinc/09/42/84/453094284.db2.gz ONCYSHBPZNSLHE-JQHSSLGASA-N 2 1 330.476 1.441 20 0 EDADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000646083671 453094873 /nfs/dbraw/zinc/09/48/73/453094873.db2.gz XBXUXPOMSYCFMA-ROUUACIJSA-N 2 1 337.508 1.964 20 0 EDADMP CC(C)[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000646108897 453112938 /nfs/dbraw/zinc/11/29/38/453112938.db2.gz ZZGMYXTYMKDPIA-FUHWJXTLSA-N 2 1 338.540 1.400 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CC[C@@H](O)C3)CC2)CC1 ZINC000655023098 453146267 /nfs/dbraw/zinc/14/62/67/453146267.db2.gz RXJJYMLFVLOILH-CRAIPNDOSA-N 2 1 337.508 1.460 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000655053975 453175070 /nfs/dbraw/zinc/17/50/70/453175070.db2.gz PWCITXZDEPFCLU-IBGZPJMESA-N 2 1 342.443 1.287 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000655053975 453175078 /nfs/dbraw/zinc/17/50/78/453175078.db2.gz PWCITXZDEPFCLU-IBGZPJMESA-N 2 1 342.443 1.287 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000666892478 453219668 /nfs/dbraw/zinc/21/96/68/453219668.db2.gz PKRFPHKGTIGKIW-CVEARBPZSA-N 2 1 326.444 1.804 20 0 EDADMP C[C@@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[NH+](C)C ZINC000662526683 453247649 /nfs/dbraw/zinc/24/76/49/453247649.db2.gz IIJBRGNIGGHMLM-ZETCQYMHSA-N 2 1 332.267 1.794 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000666926184 453252210 /nfs/dbraw/zinc/25/22/10/453252210.db2.gz KZXFCUWKBMIMEU-AWEZNQCLSA-N 2 1 334.468 1.756 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]CC2)c1 ZINC000653111561 453297223 /nfs/dbraw/zinc/29/72/23/453297223.db2.gz SDXDWFOCKKXDTA-WBVHZDCISA-N 2 1 344.459 1.465 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]CC2)c1 ZINC000653111561 453297227 /nfs/dbraw/zinc/29/72/27/453297227.db2.gz SDXDWFOCKKXDTA-WBVHZDCISA-N 2 1 344.459 1.465 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653119195 453308944 /nfs/dbraw/zinc/30/89/44/453308944.db2.gz BCMPDGXBAARQSN-QZTJIDSGSA-N 2 1 332.492 1.246 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000653120376 453311050 /nfs/dbraw/zinc/31/10/50/453311050.db2.gz PGSKTTCVHJEQEK-ZACQAIPSSA-N 2 1 325.497 1.629 20 0 EDADMP C[C@@H]1C[N@@H+](CCN2CC[NH+](C3CCOCC3)C[C@@H]2C)C[C@H](C)O1 ZINC000660439427 453311417 /nfs/dbraw/zinc/31/14/17/453311417.db2.gz ZJOIIXMTYQABGU-YESZJQIVSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@@H]1C[N@H+](CCN2CC[NH+](C3CCOCC3)C[C@@H]2C)C[C@H](C)O1 ZINC000660439427 453311424 /nfs/dbraw/zinc/31/14/24/453311424.db2.gz ZJOIIXMTYQABGU-YESZJQIVSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@@H]1C[NH+](CCN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@H](C)O1 ZINC000660439427 453311431 /nfs/dbraw/zinc/31/14/31/453311431.db2.gz ZJOIIXMTYQABGU-YESZJQIVSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@@H]1C[NH+](CCN2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@H](C)O1 ZINC000660439427 453311437 /nfs/dbraw/zinc/31/14/37/453311437.db2.gz ZJOIIXMTYQABGU-YESZJQIVSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)CC[N@H+]1C ZINC000648833516 453315090 /nfs/dbraw/zinc/31/50/90/453315090.db2.gz OSFNIDHLIYAVEL-OWYHZJEWSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC[NH+]1C ZINC000648833516 453315099 /nfs/dbraw/zinc/31/50/99/453315099.db2.gz OSFNIDHLIYAVEL-OWYHZJEWSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC[NH+]1C ZINC000648833516 453315109 /nfs/dbraw/zinc/31/51/09/453315109.db2.gz OSFNIDHLIYAVEL-OWYHZJEWSA-N 2 1 345.487 1.326 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000653124798 453318649 /nfs/dbraw/zinc/31/86/49/453318649.db2.gz HNTNFUPLPCUTLH-KRWDZBQOSA-N 2 1 330.476 1.762 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000651197110 453350809 /nfs/dbraw/zinc/35/08/09/453350809.db2.gz WEHMOVZGTHRRIT-HZPDHXFCSA-N 2 1 328.501 1.061 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000651197110 453350815 /nfs/dbraw/zinc/35/08/15/453350815.db2.gz WEHMOVZGTHRRIT-HZPDHXFCSA-N 2 1 328.501 1.061 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000651197110 453350819 /nfs/dbraw/zinc/35/08/19/453350819.db2.gz WEHMOVZGTHRRIT-HZPDHXFCSA-N 2 1 328.501 1.061 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000653180369 453369490 /nfs/dbraw/zinc/36/94/90/453369490.db2.gz YKECOILNZJMJJG-SFHVURJKSA-N 2 1 346.475 1.273 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000653180369 453369499 /nfs/dbraw/zinc/36/94/99/453369499.db2.gz YKECOILNZJMJJG-SFHVURJKSA-N 2 1 346.475 1.273 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000662668900 453382127 /nfs/dbraw/zinc/38/21/27/453382127.db2.gz SDBHOAJHNPOHQD-LSDHHAIUSA-N 2 1 346.479 1.167 20 0 EDADMP COC[C@H](C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1)OC ZINC000660538977 453384885 /nfs/dbraw/zinc/38/48/85/453384885.db2.gz REPPSJUJMSQKEV-IBGZPJMESA-N 2 1 335.492 1.397 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)[NH+]1CCOCC1 ZINC000662673408 453388881 /nfs/dbraw/zinc/38/88/81/453388881.db2.gz KPCAZFWEHKVZKW-MRXNPFEDSA-N 2 1 337.508 1.901 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000667078565 453391947 /nfs/dbraw/zinc/39/19/47/453391947.db2.gz XNKKYQNZUISSAR-YOEHRIQHSA-N 2 1 342.443 1.171 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C3(O)C[NH2+]C3)cc2)C1 ZINC000662677726 453396180 /nfs/dbraw/zinc/39/61/80/453396180.db2.gz RONKSYIGCVQNLJ-GASCZTMLSA-N 2 1 331.460 1.115 20 0 EDADMP O=C1[C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000656787424 453446707 /nfs/dbraw/zinc/44/67/07/453446707.db2.gz KKWIILQINAKZQJ-ZACQAIPSSA-N 2 1 327.428 1.103 20 0 EDADMP C[C@H]1C[C@@H](C[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC[NH2+]1 ZINC000656787791 453447617 /nfs/dbraw/zinc/44/76/17/453447617.db2.gz VUBCIZLUJSYQCB-BJDJZHNGSA-N 2 1 328.400 1.282 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662728523 453455131 /nfs/dbraw/zinc/45/51/31/453455131.db2.gz BDDNSZHCHBTFHN-CVEARBPZSA-N 2 1 348.495 1.300 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)C1 ZINC000662752189 453486998 /nfs/dbraw/zinc/48/69/98/453486998.db2.gz GPHMSTCCUAHOQC-JLSDUUJJSA-N 2 1 347.459 1.710 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000660699395 453522585 /nfs/dbraw/zinc/52/25/85/453522585.db2.gz FCJWHIYUPSYBEC-INIZCTEOSA-N 2 1 340.512 1.659 20 0 EDADMP O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH+](CCc2cccs2)CC1 ZINC000655444654 453531334 /nfs/dbraw/zinc/53/13/34/453531334.db2.gz MFXVZXFJCHRWFE-SJLPKXTDSA-N 2 1 333.501 1.825 20 0 EDADMP C[NH2+][C@@H](C)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000655446963 453533572 /nfs/dbraw/zinc/53/35/72/453533572.db2.gz DACGRWMITCCEBL-HNNXBMFYSA-N 2 1 349.475 1.400 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)CC3([NH3+])CC3)CC[N@H+]2C2CC2)c1 ZINC000662800082 453534506 /nfs/dbraw/zinc/53/45/06/453534506.db2.gz YGSHIQMJZIRAGN-AEFFLSMTSA-N 2 1 329.444 1.971 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCCC1(F)F ZINC000665029164 453547647 /nfs/dbraw/zinc/54/76/47/453547647.db2.gz HOWSKOGPUHYNIR-KBPBESRZSA-N 2 1 334.455 1.993 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCCC1(F)F ZINC000665029164 453547650 /nfs/dbraw/zinc/54/76/50/453547650.db2.gz HOWSKOGPUHYNIR-KBPBESRZSA-N 2 1 334.455 1.993 20 0 EDADMP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662859799 453575293 /nfs/dbraw/zinc/57/52/93/453575293.db2.gz OSLNPAFACWVPLH-QGZVFWFLSA-N 2 1 333.476 1.635 20 0 EDADMP CN(C(=O)[C@@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900248 453593640 /nfs/dbraw/zinc/59/36/40/453593640.db2.gz KQZVBRPWSPWPFB-SJORKVTESA-N 2 1 336.524 1.392 20 0 EDADMP CN(C(=O)[C@@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900248 453593643 /nfs/dbraw/zinc/59/36/43/453593643.db2.gz KQZVBRPWSPWPFB-SJORKVTESA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)(C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]([NH3+])c1ccccc1 ZINC000662906412 453597620 /nfs/dbraw/zinc/59/76/20/453597620.db2.gz KCTUNQJLAFPXQJ-DLBZAZTESA-N 2 1 330.476 1.219 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000662940902 453617003 /nfs/dbraw/zinc/61/70/03/453617003.db2.gz PZAYFZCZRSMDOQ-IAGOWNOFSA-N 2 1 332.492 1.292 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000662940902 453617006 /nfs/dbraw/zinc/61/70/06/453617006.db2.gz PZAYFZCZRSMDOQ-IAGOWNOFSA-N 2 1 332.492 1.292 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000665289778 453637087 /nfs/dbraw/zinc/63/70/87/453637087.db2.gz XBKANTXTTGHVOY-KZNAEPCWSA-N 3 1 336.524 1.439 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000665289778 453637089 /nfs/dbraw/zinc/63/70/89/453637089.db2.gz XBKANTXTTGHVOY-KZNAEPCWSA-N 2 1 336.524 1.439 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@]3(C)CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000663012169 453646253 /nfs/dbraw/zinc/64/62/53/453646253.db2.gz VHAMMNVVURGYGT-KHYOSLBOSA-N 2 1 331.460 1.778 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@]3(C)CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000663012169 453646256 /nfs/dbraw/zinc/64/62/56/453646256.db2.gz VHAMMNVVURGYGT-KHYOSLBOSA-N 2 1 331.460 1.778 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1COC(C)(C)C1 ZINC000665409362 453684297 /nfs/dbraw/zinc/68/42/97/453684297.db2.gz FGQJCEMUGUERAT-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP CC1(C)[NH2+]CC[C@H]1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659319765 453714827 /nfs/dbraw/zinc/71/48/27/453714827.db2.gz WJKMZPQWPCEELN-SECBINFHSA-N 2 1 344.278 1.984 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC1 ZINC000665555773 453748049 /nfs/dbraw/zinc/74/80/49/453748049.db2.gz LCJLVLYSRQJKIF-HNNXBMFYSA-N 2 1 340.512 1.347 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665555773 453748052 /nfs/dbraw/zinc/74/80/52/453748052.db2.gz LCJLVLYSRQJKIF-HNNXBMFYSA-N 2 1 340.512 1.347 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665555773 453748057 /nfs/dbraw/zinc/74/80/57/453748057.db2.gz LCJLVLYSRQJKIF-HNNXBMFYSA-N 2 1 340.512 1.347 20 0 EDADMP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000663362679 453779511 /nfs/dbraw/zinc/77/95/11/453779511.db2.gz AWCRURUNXNIVKM-ZWKOTPCHSA-N 2 1 334.460 1.578 20 0 EDADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657430710 453785760 /nfs/dbraw/zinc/78/57/60/453785760.db2.gz AXQAPFJSOMFTPN-SFHVURJKSA-N 2 1 326.444 1.686 20 0 EDADMP COc1cccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000663420504 453792945 /nfs/dbraw/zinc/79/29/45/453792945.db2.gz PTOJENIOGBGPFR-HNNXBMFYSA-N 2 1 336.480 1.766 20 0 EDADMP COc1cccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000663420504 453792947 /nfs/dbraw/zinc/79/29/47/453792947.db2.gz PTOJENIOGBGPFR-HNNXBMFYSA-N 2 1 336.480 1.766 20 0 EDADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000663496230 453810250 /nfs/dbraw/zinc/81/02/50/453810250.db2.gz DVBIZHORDXYGAL-SUMWQHHRSA-N 3 1 336.505 1.507 20 0 EDADMP C[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676243430 486703273 /nfs/dbraw/zinc/70/32/73/486703273.db2.gz MRZSEDAPMIGETL-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676243430 486703275 /nfs/dbraw/zinc/70/32/75/486703275.db2.gz MRZSEDAPMIGETL-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676243430 486703280 /nfs/dbraw/zinc/70/32/80/486703280.db2.gz MRZSEDAPMIGETL-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243430 486703284 /nfs/dbraw/zinc/70/32/84/486703284.db2.gz MRZSEDAPMIGETL-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP Cc1nc(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000676270290 486717850 /nfs/dbraw/zinc/71/78/50/486717850.db2.gz OFKGIBUNAWCHFT-CQSZACIVSA-N 2 1 333.436 1.442 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676304711 486727875 /nfs/dbraw/zinc/72/78/75/486727875.db2.gz DGJWDPGQYUQMMP-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676304711 486727881 /nfs/dbraw/zinc/72/78/81/486727881.db2.gz DGJWDPGQYUQMMP-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](CCO)C(C)(C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000672725261 486779463 /nfs/dbraw/zinc/77/94/63/486779463.db2.gz HXXLVOIVJRMLAR-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](CCO)C(C)(C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000672725259 486779540 /nfs/dbraw/zinc/77/95/40/486779540.db2.gz HXXLVOIVJRMLAR-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](O)CN1CCN(C(=O)NCCN2Cc3ccccc3C2)[C@H](C)C1 ZINC000672781517 486798892 /nfs/dbraw/zinc/79/88/92/486798892.db2.gz KNUSCBRFQHWIKW-HZPDHXFCSA-N 2 1 346.475 1.099 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000387736721 486815443 /nfs/dbraw/zinc/81/54/43/486815443.db2.gz WEFKGDURTKWPDQ-CYBMUJFWSA-N 2 1 325.453 1.705 20 0 EDADMP C[C@@H]1C[C@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)C[N@@H+]1C1CC1 ZINC000683943677 486875955 /nfs/dbraw/zinc/87/59/55/486875955.db2.gz PEXMESCGYVKJFQ-DYVFJYSZSA-N 2 1 328.460 1.567 20 0 EDADMP C[C@@H]1C[C@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)C[N@H+]1C1CC1 ZINC000683943677 486875962 /nfs/dbraw/zinc/87/59/62/486875962.db2.gz PEXMESCGYVKJFQ-DYVFJYSZSA-N 2 1 328.460 1.567 20 0 EDADMP C[C@@H]1C[C@H](Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)C[NH+]1C1CC1 ZINC000683943677 486875968 /nfs/dbraw/zinc/87/59/68/486875968.db2.gz PEXMESCGYVKJFQ-DYVFJYSZSA-N 2 1 328.460 1.567 20 0 EDADMP C[C@@H]1C[C@H](Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)C[NH+]1C1CC1 ZINC000683943677 486875974 /nfs/dbraw/zinc/87/59/74/486875974.db2.gz PEXMESCGYVKJFQ-DYVFJYSZSA-N 2 1 328.460 1.567 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000681162129 486954856 /nfs/dbraw/zinc/95/48/56/486954856.db2.gz YOEORJFYFRCBNC-JKSUJKDBSA-N 2 1 339.528 1.042 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](CCO)C1)c1ccccc1 ZINC000681208293 486974101 /nfs/dbraw/zinc/97/41/01/486974101.db2.gz DEYYBQFUCODQPW-FUHWJXTLSA-N 2 1 333.476 1.500 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CCC[C@H]3[NH+](C)C)cc2)CC1 ZINC000681791174 487169284 /nfs/dbraw/zinc/16/92/84/487169284.db2.gz XISOBRATATZCIH-RTBURBONSA-N 2 1 344.503 1.647 20 0 EDADMP C[C@@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000685048187 487221570 /nfs/dbraw/zinc/22/15/70/487221570.db2.gz KXQALQDNWYTBAT-OAHLLOKOSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)CC[N@H+]1C ZINC000678699397 487353315 /nfs/dbraw/zinc/35/33/15/487353315.db2.gz NPRQAAVNYZYJCF-UKRRQHHQSA-N 2 1 341.477 1.509 20 0 EDADMP CNS(=O)(=O)CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679326350 487415043 /nfs/dbraw/zinc/41/50/43/487415043.db2.gz UZVFCTCTRSKFBZ-DOTOQJQBSA-N 2 1 339.505 1.426 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000682999579 487440575 /nfs/dbraw/zinc/44/05/75/487440575.db2.gz NJKJVXSZVGCTOO-QGZVFWFLSA-N 2 1 325.416 1.772 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000669538364 485520402 /nfs/dbraw/zinc/52/04/02/485520402.db2.gz NOKIIXAFLQIGTA-YLFCFFPRSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538364 485520406 /nfs/dbraw/zinc/52/04/06/485520406.db2.gz NOKIIXAFLQIGTA-YLFCFFPRSA-N 2 1 338.496 1.269 20 0 EDADMP [NH3+]C/C=C\CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000669570382 485589468 /nfs/dbraw/zinc/58/94/68/485589468.db2.gz CNXZVBYEEKUCCM-VGOKWCNXSA-N 2 1 332.448 1.092 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000456877608 485648080 /nfs/dbraw/zinc/64/80/80/485648080.db2.gz IHGMUARJBUTUDN-QGZVFWFLSA-N 2 1 338.540 1.783 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000456877608 485648086 /nfs/dbraw/zinc/64/80/86/485648086.db2.gz IHGMUARJBUTUDN-QGZVFWFLSA-N 2 1 338.540 1.783 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000456877608 485648093 /nfs/dbraw/zinc/64/80/93/485648093.db2.gz IHGMUARJBUTUDN-QGZVFWFLSA-N 2 1 338.540 1.783 20 0 EDADMP C[C@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000325365277 485702541 /nfs/dbraw/zinc/70/25/41/485702541.db2.gz QSXRGRJMNZDZFI-JQHSSLGASA-N 2 1 331.460 1.646 20 0 EDADMP Cc1ccncc1CC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668618724 485960223 /nfs/dbraw/zinc/96/02/23/485960223.db2.gz UOBRDUBQWOSKJK-SFHVURJKSA-N 2 1 330.476 1.559 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000669366021 486013653 /nfs/dbraw/zinc/01/36/53/486013653.db2.gz HMYOHERNBSHWEI-BZUAXINKSA-N 2 1 326.485 1.256 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000237906491 486016462 /nfs/dbraw/zinc/01/64/62/486016462.db2.gz BDRNZVNVOSJTBR-QWHCGFSZSA-N 2 1 337.386 1.227 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000668727476 486093803 /nfs/dbraw/zinc/09/38/03/486093803.db2.gz FKDISTUFOYQGNP-AEFFLSMTSA-N 2 1 338.496 1.128 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000669420339 486141251 /nfs/dbraw/zinc/14/12/51/486141251.db2.gz JMSWMGBXPTXSFV-WNRNVDISSA-N 2 1 328.460 1.416 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188722968 520401825 /nfs/dbraw/zinc/40/18/25/520401825.db2.gz VBNNUQKWUBRQQV-UHFFFAOYSA-N 2 1 333.480 1.640 20 0 EDADMP CCCC[N@H+](C)CC1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC000188722968 520401830 /nfs/dbraw/zinc/40/18/30/520401830.db2.gz VBNNUQKWUBRQQV-UHFFFAOYSA-N 2 1 333.480 1.640 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC000188722968 520401836 /nfs/dbraw/zinc/40/18/36/520401836.db2.gz VBNNUQKWUBRQQV-UHFFFAOYSA-N 2 1 333.480 1.640 20 0 EDADMP CC(C)(C)[NH+]1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000171965509 526284857 /nfs/dbraw/zinc/28/48/57/526284857.db2.gz YQLVSCLZSNVBRU-UHFFFAOYSA-N 2 1 325.497 1.868 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000173906067 527836751 /nfs/dbraw/zinc/83/67/51/527836751.db2.gz BUTZQUJNYIEHFI-GFCCVEGCSA-N 2 1 338.477 1.449 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000173906067 527836753 /nfs/dbraw/zinc/83/67/53/527836753.db2.gz BUTZQUJNYIEHFI-GFCCVEGCSA-N 2 1 338.477 1.449 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000173906067 527836755 /nfs/dbraw/zinc/83/67/55/527836755.db2.gz BUTZQUJNYIEHFI-GFCCVEGCSA-N 2 1 338.477 1.449 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000173906067 527836756 /nfs/dbraw/zinc/83/67/56/527836756.db2.gz BUTZQUJNYIEHFI-GFCCVEGCSA-N 2 1 338.477 1.449 20 0 EDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000153411449 528020718 /nfs/dbraw/zinc/02/07/18/528020718.db2.gz UBDBTOZYULOLJW-UHFFFAOYSA-N 2 1 338.540 1.594 20 0 EDADMP CCN(CC)C(=O)C[N@H+]1CCCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000153411449 528020722 /nfs/dbraw/zinc/02/07/22/528020722.db2.gz UBDBTOZYULOLJW-UHFFFAOYSA-N 2 1 338.540 1.594 20 0 EDADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000176861245 528034215 /nfs/dbraw/zinc/03/42/15/528034215.db2.gz NPGIUKZLIFEMKG-VQIMIIECSA-N 2 1 347.503 1.906 20 0 EDADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000176861245 528034222 /nfs/dbraw/zinc/03/42/22/528034222.db2.gz NPGIUKZLIFEMKG-VQIMIIECSA-N 2 1 347.503 1.906 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000155074296 529014021 /nfs/dbraw/zinc/01/40/21/529014021.db2.gz UXMVSOFVKDMNOA-INIZCTEOSA-N 2 1 348.491 1.872 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262950720 535110377 /nfs/dbraw/zinc/11/03/77/535110377.db2.gz BYCPDKKOBIYZLO-MTCSXPRVSA-N 2 1 337.508 1.613 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]([NH3+])c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246578637 535138140 /nfs/dbraw/zinc/13/81/40/535138140.db2.gz CIYJELYWCRPASI-ATLSCFEFSA-N 2 1 333.476 1.936 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]([NH3+])c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246578637 535138143 /nfs/dbraw/zinc/13/81/43/535138143.db2.gz CIYJELYWCRPASI-ATLSCFEFSA-N 2 1 333.476 1.936 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000339286232 535417779 /nfs/dbraw/zinc/41/77/79/535417779.db2.gz WUJOEFUKJFKJHJ-MJGOQNOKSA-N 2 1 347.503 1.982 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000339286232 535417784 /nfs/dbraw/zinc/41/77/84/535417784.db2.gz WUJOEFUKJFKJHJ-MJGOQNOKSA-N 2 1 347.503 1.982 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000262453226 535522431 /nfs/dbraw/zinc/52/24/31/535522431.db2.gz ZXOKDOJTUHSAFF-QZWWFDLISA-N 2 1 325.497 1.628 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](c2nc(C[C@H](C)[NH2+]C)no2)CC1=O ZINC000261902959 535550923 /nfs/dbraw/zinc/55/09/23/535550923.db2.gz YTDZVUFHKILHFW-MELADBBJSA-N 2 1 335.452 1.020 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000075535204 535560224 /nfs/dbraw/zinc/56/02/24/535560224.db2.gz NFZUBDNVZFKFNP-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000075535204 535560229 /nfs/dbraw/zinc/56/02/29/535560229.db2.gz NFZUBDNVZFKFNP-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000245409854 535761516 /nfs/dbraw/zinc/76/15/16/535761516.db2.gz OGFSQHYZYGUNCU-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000245409854 535761519 /nfs/dbraw/zinc/76/15/19/535761519.db2.gz OGFSQHYZYGUNCU-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000245409854 535761521 /nfs/dbraw/zinc/76/15/21/535761521.db2.gz OGFSQHYZYGUNCU-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000245409854 535761527 /nfs/dbraw/zinc/76/15/27/535761527.db2.gz OGFSQHYZYGUNCU-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1([NH3+])CCOCC1 ZINC000261747110 535771229 /nfs/dbraw/zinc/77/12/29/535771229.db2.gz DZRBEERFOHUVPT-GOSISDBHSA-N 2 1 345.487 1.865 20 0 EDADMP CC[C@@]1(C)CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000247692959 536037685 /nfs/dbraw/zinc/03/76/85/536037685.db2.gz WEJPJKLKERFRGX-HKUYNNGSSA-N 2 1 339.524 1.972 20 0 EDADMP CC[C@@]1(C)CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000247692959 536037692 /nfs/dbraw/zinc/03/76/92/536037692.db2.gz WEJPJKLKERFRGX-HKUYNNGSSA-N 2 1 339.524 1.972 20 0 EDADMP CC[C@@]1(C)CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000247692959 536037699 /nfs/dbraw/zinc/03/76/99/536037699.db2.gz WEJPJKLKERFRGX-HKUYNNGSSA-N 2 1 339.524 1.972 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H](C[NH+](C)CC)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339281486 536089022 /nfs/dbraw/zinc/08/90/22/536089022.db2.gz KIZNHXBLBILOPD-BRWVUGGUSA-N 2 1 325.497 1.676 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H](C[NH+](C)CC)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000339281486 536089025 /nfs/dbraw/zinc/08/90/25/536089025.db2.gz KIZNHXBLBILOPD-BRWVUGGUSA-N 2 1 325.497 1.676 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000339281486 536089033 /nfs/dbraw/zinc/08/90/33/536089033.db2.gz KIZNHXBLBILOPD-BRWVUGGUSA-N 2 1 325.497 1.676 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000339281486 536089040 /nfs/dbraw/zinc/08/90/40/536089040.db2.gz KIZNHXBLBILOPD-BRWVUGGUSA-N 2 1 325.497 1.676 20 0 EDADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(N)nc(N)n1 ZINC000092821229 536323856 /nfs/dbraw/zinc/32/38/56/536323856.db2.gz HIGUJYCNITXXLO-UHFFFAOYSA-N 2 1 342.451 1.170 20 0 EDADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(N)nc(N)n1 ZINC000092821229 536323861 /nfs/dbraw/zinc/32/38/61/536323861.db2.gz HIGUJYCNITXXLO-UHFFFAOYSA-N 2 1 342.451 1.170 20 0 EDADMP C[N@@H+](CCC1OCCO1)[C@@H]1CCC[NH+](CCC2OCCO2)CC1 ZINC000125190898 536326176 /nfs/dbraw/zinc/32/61/76/536326176.db2.gz HQIXMMAHMGGARH-OAHLLOKOSA-N 2 1 328.453 1.299 20 0 EDADMP C[NH+](CCC1OCCO1)[C@@H]1CCC[N@H+](CCC2OCCO2)CC1 ZINC000125190898 536326178 /nfs/dbraw/zinc/32/61/78/536326178.db2.gz HQIXMMAHMGGARH-OAHLLOKOSA-N 2 1 328.453 1.299 20 0 EDADMP C[NH+](CCC1OCCO1)[C@@H]1CCC[N@@H+](CCC2OCCO2)CC1 ZINC000125190898 536326181 /nfs/dbraw/zinc/32/61/81/536326181.db2.gz HQIXMMAHMGGARH-OAHLLOKOSA-N 2 1 328.453 1.299 20 0 EDADMP C[NH2+][C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1cnn(C)c1 ZINC000262401145 536379147 /nfs/dbraw/zinc/37/91/47/536379147.db2.gz PMZZABCDTDDLCC-SFHVURJKSA-N 2 1 347.507 1.795 20 0 EDADMP C[NH2+][C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1cnn(C)c1 ZINC000262401145 536379149 /nfs/dbraw/zinc/37/91/49/536379149.db2.gz PMZZABCDTDDLCC-SFHVURJKSA-N 2 1 347.507 1.795 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1([NH3+])CCOCC1 ZINC000261880086 536449452 /nfs/dbraw/zinc/44/94/52/536449452.db2.gz PCMATPFXMKTWHK-QGZVFWFLSA-N 2 1 331.460 1.475 20 0 EDADMP COc1cccc(COC[C@@H](O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000741384478 579414093 /nfs/dbraw/zinc/41/40/93/579414093.db2.gz BXZRTTSWQBUWDY-MSOLQXFVSA-N 2 1 336.476 1.846 20 0 EDADMP COc1cccc(COC[C@@H](O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000741384478 579414094 /nfs/dbraw/zinc/41/40/94/579414094.db2.gz BXZRTTSWQBUWDY-MSOLQXFVSA-N 2 1 336.476 1.846 20 0 EDADMP COc1cccc(COC[C@@H](O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000741384478 579414095 /nfs/dbraw/zinc/41/40/95/579414095.db2.gz BXZRTTSWQBUWDY-MSOLQXFVSA-N 2 1 336.476 1.846 20 0 EDADMP CC[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[N@H+]1C[C@@H](C)O ZINC000742780192 579462106 /nfs/dbraw/zinc/46/21/06/579462106.db2.gz IMZLUULSDBZXEA-SJORKVTESA-N 2 1 325.497 1.556 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000743983326 579496977 /nfs/dbraw/zinc/49/69/77/579496977.db2.gz VYNRDFAMPVKXNU-CYBMUJFWSA-N 2 1 330.432 1.171 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000743983326 579496978 /nfs/dbraw/zinc/49/69/78/579496978.db2.gz VYNRDFAMPVKXNU-CYBMUJFWSA-N 2 1 330.432 1.171 20 0 EDADMP C[C@@H]1CCC[NH+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000743983326 579496979 /nfs/dbraw/zinc/49/69/79/579496979.db2.gz VYNRDFAMPVKXNU-CYBMUJFWSA-N 2 1 330.432 1.171 20 0 EDADMP C[C@@H]1CCC[NH+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000743983326 579496980 /nfs/dbraw/zinc/49/69/80/579496980.db2.gz VYNRDFAMPVKXNU-CYBMUJFWSA-N 2 1 330.432 1.171 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(c3cc(C)[nH+]c(N)n3)CC2)cn1 ZINC000729919210 578599080 /nfs/dbraw/zinc/59/90/80/578599080.db2.gz DJKREZWVLOCEIP-UHFFFAOYSA-N 2 1 329.452 1.686 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000732448213 578712747 /nfs/dbraw/zinc/71/27/47/578712747.db2.gz FPZAHNAHLSCBNY-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CN(C(=O)/C=C\c1cccnc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732559923 578717952 /nfs/dbraw/zinc/71/79/52/578717952.db2.gz SSHKSBIVVACMAL-XFHJGTJQSA-N 2 1 328.460 1.722 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC000734453150 578815423 /nfs/dbraw/zinc/81/54/23/578815423.db2.gz NEIHVYUYFNACAS-GOSISDBHSA-N 2 1 336.524 1.491 20 0 EDADMP CC(C)C[C@@H]1NC(=O)N(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1=O ZINC000738088140 579158529 /nfs/dbraw/zinc/15/85/29/579158529.db2.gz CVFYOPVZRAKNCK-INIZCTEOSA-N 2 1 338.496 1.963 20 0 EDADMP CC(C)C[C@@H]1NC(=O)N(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1=O ZINC000738088140 579158530 /nfs/dbraw/zinc/15/85/30/579158530.db2.gz CVFYOPVZRAKNCK-INIZCTEOSA-N 2 1 338.496 1.963 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000744347822 579508013 /nfs/dbraw/zinc/50/80/13/579508013.db2.gz CWMOJFNYEVLWSZ-OAHLLOKOSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000744347822 579508015 /nfs/dbraw/zinc/50/80/15/579508015.db2.gz CWMOJFNYEVLWSZ-OAHLLOKOSA-N 2 1 333.480 1.233 20 0 EDADMP S=C(NCCC[NH+]1CCCCC1)NCCC[NH+]1CCOCC1 ZINC000747740834 579656666 /nfs/dbraw/zinc/65/66/66/579656666.db2.gz ZWUAYDYNHXIVSI-UHFFFAOYSA-N 2 1 328.526 1.049 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000747988416 579665953 /nfs/dbraw/zinc/66/59/53/579665953.db2.gz XBPSZYXPNVVHBM-INIZCTEOSA-N 2 1 330.476 1.605 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000747988416 579665954 /nfs/dbraw/zinc/66/59/54/579665954.db2.gz XBPSZYXPNVVHBM-INIZCTEOSA-N 2 1 330.476 1.605 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NC[C@H]1CCOC1 ZINC000749688539 579735191 /nfs/dbraw/zinc/73/51/91/579735191.db2.gz RMAFLEUEFBBWMH-CVEARBPZSA-N 2 1 342.553 1.245 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(NC)n1 ZINC000762233036 580070256 /nfs/dbraw/zinc/07/02/56/580070256.db2.gz AGTAKUFQAXFGSZ-ZDUSSCGKSA-N 2 1 339.509 1.673 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764066476 580112576 /nfs/dbraw/zinc/11/25/76/580112576.db2.gz CWUPDCLNEQEJNU-AEFFLSMTSA-N 2 1 347.507 1.456 20 0 EDADMP C[NH+](C)CCCC1CC[NH+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000766383584 580165782 /nfs/dbraw/zinc/16/57/82/580165782.db2.gz WWDOCGTYXWIFCO-CALCHBBNSA-N 2 1 333.476 1.949 20 0 EDADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000769919707 580248490 /nfs/dbraw/zinc/24/84/90/580248490.db2.gz KYRDKXPZAJWPFV-IAGOWNOFSA-N 2 1 328.460 1.957 20 0 EDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000769919707 580248491 /nfs/dbraw/zinc/24/84/91/580248491.db2.gz KYRDKXPZAJWPFV-IAGOWNOFSA-N 2 1 328.460 1.957 20 0 EDADMP c1ccc2nc(N3CCOCC3)c(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000770393226 580259466 /nfs/dbraw/zinc/25/94/66/580259466.db2.gz BOOZPDGUWYNPNQ-ROUUACIJSA-N 2 1 338.455 1.723 20 0 EDADMP Cc1cccc(NC(=O)CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000779652440 580493117 /nfs/dbraw/zinc/49/31/17/580493117.db2.gz SXXYYEHLYWUYOP-OAHLLOKOSA-N 2 1 334.420 1.541 20 0 EDADMP Cc1cccc(NC(=O)CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000779652440 580493118 /nfs/dbraw/zinc/49/31/18/580493118.db2.gz SXXYYEHLYWUYOP-OAHLLOKOSA-N 2 1 334.420 1.541 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NOCCSC ZINC000793426586 580843890 /nfs/dbraw/zinc/84/38/90/580843890.db2.gz TUXHJFXWVCHWHD-CQSZACIVSA-N 2 1 332.514 1.339 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H](C(C)(C)C)C1)C2=O ZINC000794707561 580903910 /nfs/dbraw/zinc/90/39/10/580903910.db2.gz YOLVBYQUMNAUKL-CQSZACIVSA-N 2 1 336.480 1.718 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891901129 590679641 /nfs/dbraw/zinc/67/96/41/590679641.db2.gz FJBWGKYIYHNNGV-AVGNSLFASA-N 2 1 338.418 1.885 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893320812 590777726 /nfs/dbraw/zinc/77/77/26/590777726.db2.gz RVMMJOAZZMGDOQ-HZPDHXFCSA-N 2 1 329.460 1.237 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000892099201 590798796 /nfs/dbraw/zinc/79/87/96/590798796.db2.gz FVJHXSPDOQIXFJ-AEFFLSMTSA-N 2 1 348.491 1.493 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000892099201 590798800 /nfs/dbraw/zinc/79/88/00/590798800.db2.gz FVJHXSPDOQIXFJ-AEFFLSMTSA-N 2 1 348.491 1.493 20 0 EDADMP COCC1(CNC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC[NH2+]CC1 ZINC000892113177 590805447 /nfs/dbraw/zinc/80/54/47/590805447.db2.gz NNZVUHIQAKQQSQ-QGZVFWFLSA-N 2 1 346.475 1.489 20 0 EDADMP COCC1(CNC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC[NH2+]CC1 ZINC000892113177 590805449 /nfs/dbraw/zinc/80/54/49/590805449.db2.gz NNZVUHIQAKQQSQ-QGZVFWFLSA-N 2 1 346.475 1.489 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000892129976 590813670 /nfs/dbraw/zinc/81/36/70/590813670.db2.gz FFYKPWIUQZMYDR-INIZCTEOSA-N 2 1 345.491 1.830 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)CCSC1 ZINC000893415876 590856166 /nfs/dbraw/zinc/85/61/66/590856166.db2.gz HHGFDXXMMOFXJQ-FMKPAKJESA-N 2 1 326.510 1.302 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232945 590877223 /nfs/dbraw/zinc/87/72/23/590877223.db2.gz QJPSBZBDSAZWQG-YIYPIFLZSA-N 2 1 348.438 1.028 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232945 590877228 /nfs/dbraw/zinc/87/72/28/590877228.db2.gz QJPSBZBDSAZWQG-YIYPIFLZSA-N 2 1 348.438 1.028 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@H]1C(F)(F)F ZINC000892234983 590879500 /nfs/dbraw/zinc/87/95/00/590879500.db2.gz BNHRAMRDCXZWGV-SYQHCUMBSA-N 2 1 348.413 1.782 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000892286369 590914609 /nfs/dbraw/zinc/91/46/09/590914609.db2.gz KBWYBWDGBXNMMH-OYNZLANYSA-N 2 1 336.524 1.946 20 0 EDADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000892286369 590914612 /nfs/dbraw/zinc/91/46/12/590914612.db2.gz KBWYBWDGBXNMMH-OYNZLANYSA-N 2 1 336.524 1.946 20 0 EDADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000892286369 590914616 /nfs/dbraw/zinc/91/46/16/590914616.db2.gz KBWYBWDGBXNMMH-OYNZLANYSA-N 2 1 336.524 1.946 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000892434390 591027165 /nfs/dbraw/zinc/02/71/65/591027165.db2.gz YVUKWDKJPKDDBY-JQHSSLGASA-N 2 1 332.492 1.971 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892435805 591027609 /nfs/dbraw/zinc/02/76/09/591027609.db2.gz GFOQZRMOGUXZCK-WKILWMFISA-N 2 1 339.528 1.219 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000891514758 591103698 /nfs/dbraw/zinc/10/36/98/591103698.db2.gz YWZJBVSYLCRSKS-RKVPGOIHSA-N 2 1 338.496 1.256 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000891534725 591111533 /nfs/dbraw/zinc/11/15/33/591111533.db2.gz QDPQUDKVFRMLGA-NLWGTHIKSA-N 2 1 344.503 1.752 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000891538928 591113161 /nfs/dbraw/zinc/11/31/61/591113161.db2.gz XDZKZUXYUKWVJJ-VDZJLULYSA-N 2 1 330.476 1.758 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000891544534 591118424 /nfs/dbraw/zinc/11/84/24/591118424.db2.gz WVJRSVNHHCZSML-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000891544534 591118425 /nfs/dbraw/zinc/11/84/25/591118425.db2.gz WVJRSVNHHCZSML-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000891544534 591118426 /nfs/dbraw/zinc/11/84/26/591118426.db2.gz WVJRSVNHHCZSML-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H]1c1cccs1 ZINC000891597409 591141667 /nfs/dbraw/zinc/14/16/67/591141667.db2.gz OSLKJMUFBRZLFA-RZLSGREXSA-N 2 1 334.489 1.887 20 0 EDADMP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3CO)CC2)cc(OC)c1 ZINC000892782623 591174023 /nfs/dbraw/zinc/17/40/23/591174023.db2.gz RYEILRNAWGBYJG-UHFFFAOYSA-N 2 1 343.427 1.913 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000891672425 591178323 /nfs/dbraw/zinc/17/83/23/591178323.db2.gz ALNWGNOVQCIMIJ-DZJNRPSUSA-N 2 1 328.460 1.795 20 0 EDADMP CN(C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000892809074 591187747 /nfs/dbraw/zinc/18/77/47/591187747.db2.gz RWILNYORSASMMG-SJLPKXTDSA-N 2 1 328.460 1.579 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C[C@@H](C)O1 ZINC000891729325 591201845 /nfs/dbraw/zinc/20/18/45/591201845.db2.gz RDKFMLYRFQIWCL-XLMAVXFVSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cc(N)cc[nH+]1 ZINC000891800917 591228454 /nfs/dbraw/zinc/22/84/54/591228454.db2.gz WZWBONCSSHHFTO-KBXCAEBGSA-N 2 1 339.443 1.984 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000895678299 591246182 /nfs/dbraw/zinc/24/61/82/591246182.db2.gz SLVBIFAXPWKLGT-SNVBAGLBSA-N 2 1 334.329 1.370 20 0 EDADMP Cc1cn(C(C)(C)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cn1 ZINC000895668635 591247223 /nfs/dbraw/zinc/24/72/23/591247223.db2.gz POBLTBBGZBAIAH-INIZCTEOSA-N 2 1 334.464 1.640 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[NH+]4C)C2)CC1 ZINC000893025261 591258567 /nfs/dbraw/zinc/25/85/67/591258567.db2.gz YZHMRXSIIXOERU-JQHSSLGASA-N 2 1 349.523 1.033 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4C)C2)CC1 ZINC000893025261 591258568 /nfs/dbraw/zinc/25/85/68/591258568.db2.gz YZHMRXSIIXOERU-JQHSSLGASA-N 2 1 349.523 1.033 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4C)C2)CC1 ZINC000893025261 591258570 /nfs/dbraw/zinc/25/85/70/591258570.db2.gz YZHMRXSIIXOERU-JQHSSLGASA-N 2 1 349.523 1.033 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4C)C2)CC1 ZINC000893025261 591258573 /nfs/dbraw/zinc/25/85/73/591258573.db2.gz YZHMRXSIIXOERU-JQHSSLGASA-N 2 1 349.523 1.033 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4C)C2)CC1 ZINC000893025261 591258577 /nfs/dbraw/zinc/25/85/77/591258577.db2.gz YZHMRXSIIXOERU-JQHSSLGASA-N 2 1 349.523 1.033 20 0 EDADMP CCOC(=O)c1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)[nH]c1C ZINC000894378759 591295664 /nfs/dbraw/zinc/29/56/64/591295664.db2.gz VCKCYSLQKRSNCM-UHFFFAOYSA-N 2 1 336.480 1.617 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCCO1 ZINC000894447966 591314249 /nfs/dbraw/zinc/31/42/49/591314249.db2.gz JXMVHAVHOHYCME-XYJFISCASA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCCO1 ZINC000894447966 591314252 /nfs/dbraw/zinc/31/42/52/591314252.db2.gz JXMVHAVHOHYCME-XYJFISCASA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCCO1 ZINC000894447966 591314255 /nfs/dbraw/zinc/31/42/55/591314255.db2.gz JXMVHAVHOHYCME-XYJFISCASA-N 2 1 338.496 1.080 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc(Cl)nc2nc[nH]c21 ZINC000894497503 591325044 /nfs/dbraw/zinc/32/50/44/591325044.db2.gz ZBDBPPHTNZOABZ-JTQLQIEISA-N 2 1 325.848 1.690 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc(Cl)nc2nc[nH]c21 ZINC000894497503 591325047 /nfs/dbraw/zinc/32/50/47/591325047.db2.gz ZBDBPPHTNZOABZ-JTQLQIEISA-N 2 1 325.848 1.690 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000897481678 591487510 /nfs/dbraw/zinc/48/75/10/591487510.db2.gz HIAWTNGMUAXBBL-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896539366 591501960 /nfs/dbraw/zinc/50/19/60/591501960.db2.gz NGYOBAHJJIUYSF-QAPCUYQASA-N 2 1 332.492 1.155 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000897515140 591515397 /nfs/dbraw/zinc/51/53/97/591515397.db2.gz JRTUQYPIPQXKCO-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCO[C@H](C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+](C)C ZINC000896879950 591645367 /nfs/dbraw/zinc/64/53/67/591645367.db2.gz JIUFVJXFAMYXML-GDBMZVCRSA-N 2 1 342.505 1.750 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)[C@@H]1c1ccccc1 ZINC000897820424 591682689 /nfs/dbraw/zinc/68/26/89/591682689.db2.gz AKQPWVINFPHHOQ-OALUTQOASA-N 2 1 343.471 1.470 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)[C@@H]1c1ccccc1 ZINC000897820424 591682691 /nfs/dbraw/zinc/68/26/91/591682691.db2.gz AKQPWVINFPHHOQ-OALUTQOASA-N 2 1 343.471 1.470 20 0 EDADMP Cn1cc([C@@]2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCCO2)cn1 ZINC000898051755 591756085 /nfs/dbraw/zinc/75/60/85/591756085.db2.gz DYXSEFKVARRCKK-ROUUACIJSA-N 2 1 334.464 1.269 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000900179163 591930359 /nfs/dbraw/zinc/93/03/59/591930359.db2.gz GUJXZIGSZBLAIG-YQVWRLOYSA-N 2 1 331.460 1.222 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000900179163 591930361 /nfs/dbraw/zinc/93/03/61/591930361.db2.gz GUJXZIGSZBLAIG-YQVWRLOYSA-N 2 1 331.460 1.222 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000900179163 591930363 /nfs/dbraw/zinc/93/03/63/591930363.db2.gz GUJXZIGSZBLAIG-YQVWRLOYSA-N 2 1 331.460 1.222 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000900179163 591930365 /nfs/dbraw/zinc/93/03/65/591930365.db2.gz GUJXZIGSZBLAIG-YQVWRLOYSA-N 2 1 331.460 1.222 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000900191172 591935550 /nfs/dbraw/zinc/93/55/50/591935550.db2.gz NPNNHCSSECOVLH-JZXOWHBKSA-N 2 1 325.497 1.314 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[NH+]1CCC(C)CC1 ZINC000900191172 591935553 /nfs/dbraw/zinc/93/55/53/591935553.db2.gz NPNNHCSSECOVLH-JZXOWHBKSA-N 2 1 325.497 1.314 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1=O ZINC000902197386 591942920 /nfs/dbraw/zinc/94/29/20/591942920.db2.gz WYCBABBNOGPILV-DRMAHVMPSA-N 2 1 342.443 1.668 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)NCc2ccc(N3CCCCC3)nc2)C1 ZINC000900223139 591954067 /nfs/dbraw/zinc/95/40/67/591954067.db2.gz PMOYJSDKUSQJSY-IBGZPJMESA-N 2 1 346.475 1.535 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccn3nccc3n2)CC1 ZINC000900339938 591988978 /nfs/dbraw/zinc/98/89/78/591988978.db2.gz UGBFXNHOHSILNS-UHFFFAOYSA-N 2 1 337.387 1.128 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccnn1CC[NH+](C)C ZINC000900354172 591993416 /nfs/dbraw/zinc/99/34/16/591993416.db2.gz UXXIPUPRAJCPDI-XHSDSOJGSA-N 2 1 335.496 1.541 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900442346 592019597 /nfs/dbraw/zinc/01/95/97/592019597.db2.gz QDKAZLDYUFMORR-IAGOWNOFSA-N 2 1 342.443 1.884 20 0 EDADMP COC[C@@H]1C[NH2+]CCN1c1cc[nH+]c(N[C@@H]2CCCO[C@H]2C(C)C)n1 ZINC000900450382 592021319 /nfs/dbraw/zinc/02/13/19/592021319.db2.gz NEKYSSHPPNDKQM-UXLLHSPISA-N 2 1 349.479 1.517 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000900477339 592029308 /nfs/dbraw/zinc/02/93/08/592029308.db2.gz CFSIWMYJBJKQIH-LIRRHRJNSA-N 2 1 348.491 1.458 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2CCCC[C@H]2C[NH+](C)C)CC1 ZINC000900564363 592053535 /nfs/dbraw/zinc/05/35/35/592053535.db2.gz UMCXOCPVZANMJQ-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP Cc1cc(C)c(Cn2cc(CNC3CC[NH+](C)CC3)nn2)c(C)[nH+]1 ZINC000900582012 592058622 /nfs/dbraw/zinc/05/86/22/592058622.db2.gz SILOGXQSFVAYLJ-UHFFFAOYSA-N 2 1 328.464 1.830 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000900587541 592060541 /nfs/dbraw/zinc/06/05/41/592060541.db2.gz WZKSUNIMHMNREN-OAHLLOKOSA-N 2 1 327.469 1.062 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)C[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000900587541 592060542 /nfs/dbraw/zinc/06/05/42/592060542.db2.gz WZKSUNIMHMNREN-OAHLLOKOSA-N 2 1 327.469 1.062 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1COc2ccccc2C1 ZINC000902790180 592064361 /nfs/dbraw/zinc/06/43/61/592064361.db2.gz NBWGFOIBEGDQSG-WBVHZDCISA-N 2 1 331.460 1.380 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000900604709 592066904 /nfs/dbraw/zinc/06/69/04/592066904.db2.gz SZKHUNPEVXRVGP-AWEZNQCLSA-N 2 1 330.432 1.429 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000902903939 592082384 /nfs/dbraw/zinc/08/23/84/592082384.db2.gz HIHNSUISCAUMIK-OAGGEKHMSA-N 2 1 340.537 1.740 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000902903939 592082387 /nfs/dbraw/zinc/08/23/87/592082387.db2.gz HIHNSUISCAUMIK-OAGGEKHMSA-N 2 1 340.537 1.740 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000902903939 592082390 /nfs/dbraw/zinc/08/23/90/592082390.db2.gz HIHNSUISCAUMIK-OAGGEKHMSA-N 2 1 340.537 1.740 20 0 EDADMP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900669030 592086728 /nfs/dbraw/zinc/08/67/28/592086728.db2.gz HJPWVUJYLOOLHE-QYZOEREBSA-N 2 1 348.535 1.630 20 0 EDADMP CN(C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900669030 592086731 /nfs/dbraw/zinc/08/67/31/592086731.db2.gz HJPWVUJYLOOLHE-QYZOEREBSA-N 2 1 348.535 1.630 20 0 EDADMP CN(C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900669030 592086733 /nfs/dbraw/zinc/08/67/33/592086733.db2.gz HJPWVUJYLOOLHE-QYZOEREBSA-N 2 1 348.535 1.630 20 0 EDADMP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000900669030 592086736 /nfs/dbraw/zinc/08/67/36/592086736.db2.gz HJPWVUJYLOOLHE-QYZOEREBSA-N 2 1 348.535 1.630 20 0 EDADMP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000900669030 592086738 /nfs/dbraw/zinc/08/67/38/592086738.db2.gz HJPWVUJYLOOLHE-QYZOEREBSA-N 2 1 348.535 1.630 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900710261 592101626 /nfs/dbraw/zinc/10/16/26/592101626.db2.gz LVKIFZXECCDUKB-VUHPKUFZSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900710261 592101628 /nfs/dbraw/zinc/10/16/28/592101628.db2.gz LVKIFZXECCDUKB-VUHPKUFZSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900710261 592101630 /nfs/dbraw/zinc/10/16/30/592101630.db2.gz LVKIFZXECCDUKB-VUHPKUFZSA-N 2 1 337.508 1.555 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000900726121 592106178 /nfs/dbraw/zinc/10/61/78/592106178.db2.gz RPLJWRMZYDHOTH-HZPDHXFCSA-N 2 1 339.480 1.062 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000900726121 592106179 /nfs/dbraw/zinc/10/61/79/592106179.db2.gz RPLJWRMZYDHOTH-HZPDHXFCSA-N 2 1 339.480 1.062 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000900726121 592106181 /nfs/dbraw/zinc/10/61/81/592106181.db2.gz RPLJWRMZYDHOTH-HZPDHXFCSA-N 2 1 339.480 1.062 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000900726121 592106182 /nfs/dbraw/zinc/10/61/82/592106182.db2.gz RPLJWRMZYDHOTH-HZPDHXFCSA-N 2 1 339.480 1.062 20 0 EDADMP CCS(=O)(=O)N(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903068721 592118558 /nfs/dbraw/zinc/11/85/58/592118558.db2.gz LMFZOVRKWGHRHR-VHRNVKJDSA-N 2 1 329.510 1.405 20 0 EDADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cnn(CC2CCC2)c1 ZINC000903091084 592118616 /nfs/dbraw/zinc/11/86/16/592118616.db2.gz NBUVFCQNSXNGMX-WBVHZDCISA-N 2 1 347.507 1.921 20 0 EDADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cnn(CC2CCC2)c1 ZINC000903091084 592118619 /nfs/dbraw/zinc/11/86/19/592118619.db2.gz NBUVFCQNSXNGMX-WBVHZDCISA-N 2 1 347.507 1.921 20 0 EDADMP CCOC(=O)C1(C)CC([NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000903112455 592122987 /nfs/dbraw/zinc/12/29/87/592122987.db2.gz NHOLBEMEWVEJTD-ZISVNPBTSA-N 2 1 338.492 1.788 20 0 EDADMP COC(=O)N1CCC([NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000903117571 592123348 /nfs/dbraw/zinc/12/33/48/592123348.db2.gz VCASXRBFYADKIO-CBZIJGRNSA-N 2 1 339.480 1.287 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)C2)[C@@H]1C(C)C ZINC000903122225 592124157 /nfs/dbraw/zinc/12/41/57/592124157.db2.gz XFACOIUVSSGCDY-MTSZKFMLSA-N 2 1 346.537 1.269 20 0 EDADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903148241 592129285 /nfs/dbraw/zinc/12/92/85/592129285.db2.gz RPOZMWDYUNWLDF-ZCNNSNEGSA-N 2 1 346.471 1.681 20 0 EDADMP CS(=O)(=O)CC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903198955 592134359 /nfs/dbraw/zinc/13/43/59/592134359.db2.gz HOYNLOPGEROUJH-VHRNVKJDSA-N 2 1 326.506 1.949 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900819547 592136711 /nfs/dbraw/zinc/13/67/11/592136711.db2.gz JTCKPBDZZWFOAC-AQEOSJORSA-N 2 1 337.508 1.676 20 0 EDADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000903269788 592149090 /nfs/dbraw/zinc/14/90/90/592149090.db2.gz BORJBRAKOVAITE-KSZLIROESA-N 2 1 339.549 1.799 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000900908121 592167975 /nfs/dbraw/zinc/16/79/75/592167975.db2.gz MWAKVAYGJOTHIL-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000900908121 592167977 /nfs/dbraw/zinc/16/79/77/592167977.db2.gz MWAKVAYGJOTHIL-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000900908121 592167978 /nfs/dbraw/zinc/16/79/78/592167978.db2.gz MWAKVAYGJOTHIL-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP O=C([C@H]1CCC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1)N1CC[NH2+]CC1 ZINC000903422299 592170775 /nfs/dbraw/zinc/17/07/75/592170775.db2.gz XLBAVMNBBKWXCW-XQLPTFJDSA-N 2 1 327.419 1.422 20 0 EDADMP C[C@@H](c1ncccn1)[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000903464255 592172189 /nfs/dbraw/zinc/17/21/89/592172189.db2.gz FGURAUSBGHKFSZ-GJZGRUSLSA-N 2 1 341.463 1.550 20 0 EDADMP C[C@@H](c1ncccn1)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000903464255 592172191 /nfs/dbraw/zinc/17/21/91/592172191.db2.gz FGURAUSBGHKFSZ-GJZGRUSLSA-N 2 1 341.463 1.550 20 0 EDADMP O=C(CN[C@@H]1CC[NH2+]C12CCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000903469746 592175351 /nfs/dbraw/zinc/17/53/51/592175351.db2.gz BPIMLJIVTZYAFQ-GOSISDBHSA-N 2 1 342.487 1.205 20 0 EDADMP O=C1[C@H](N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCN1C1CCC1 ZINC000903505489 592181890 /nfs/dbraw/zinc/18/18/90/592181890.db2.gz DGDPGIGPMWTACI-FGTMMUONSA-N 2 1 332.492 1.040 20 0 EDADMP C/C=C\[C@H](O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000900973164 592182168 /nfs/dbraw/zinc/18/21/68/592182168.db2.gz GLNYKJNUJNRFKH-XDXAGZTOSA-N 2 1 337.508 1.578 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000900958498 592185421 /nfs/dbraw/zinc/18/54/21/592185421.db2.gz JMRYSIWRWURZFD-QZTJIDSGSA-N 2 1 338.540 1.782 20 0 EDADMP C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C[C@H]1CC[NH3+] ZINC000903497303 592188143 /nfs/dbraw/zinc/18/81/43/592188143.db2.gz UWJNKWJNZFUYPG-MPKXVKKWSA-N 2 1 340.265 1.892 20 0 EDADMP C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C[C@H]1CC[NH3+] ZINC000903497303 592188144 /nfs/dbraw/zinc/18/81/44/592188144.db2.gz UWJNKWJNZFUYPG-MPKXVKKWSA-N 2 1 340.265 1.892 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C[C@H]1CC[NH3+] ZINC000903496918 592188353 /nfs/dbraw/zinc/18/83/53/592188353.db2.gz KEEVRJWBGRFUOB-ZIAGYGMSSA-N 2 1 346.500 1.872 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)o2)C[C@H]1c1ccccc1 ZINC000904334456 592233448 /nfs/dbraw/zinc/23/34/48/592233448.db2.gz WLLRXHGWXWHKEA-MJGOQNOKSA-N 3 1 340.471 1.864 20 0 EDADMP [NH3+]C[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)o2)C[C@H]1c1ccccc1 ZINC000904334456 592233451 /nfs/dbraw/zinc/23/34/51/592233451.db2.gz WLLRXHGWXWHKEA-MJGOQNOKSA-N 2 1 340.471 1.864 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1C ZINC000904351147 592236855 /nfs/dbraw/zinc/23/68/55/592236855.db2.gz UYCVFVZRJXJIRW-MRXNPFEDSA-N 2 1 347.459 1.601 20 0 EDADMP C[C@@]1(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCC[NH2+]C1 ZINC000904378936 592244806 /nfs/dbraw/zinc/24/48/06/592244806.db2.gz MWGFNTZATSUOJN-VQIMIIECSA-N 2 1 346.523 1.388 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000906672898 592253770 /nfs/dbraw/zinc/25/37/70/592253770.db2.gz GISCPWNERIGYNZ-UHFFFAOYSA-N 2 1 348.491 1.196 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906679320 592261309 /nfs/dbraw/zinc/26/13/09/592261309.db2.gz WWFYGHKHBCSMFQ-KRWDZBQOSA-N 2 1 338.540 1.641 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906680276 592262158 /nfs/dbraw/zinc/26/21/58/592262158.db2.gz MPFHOULWZMXAQL-HZPDHXFCSA-N 2 1 344.459 1.514 20 0 EDADMP O=C(Nc1cccc2c1CC[NH2+]C2)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904506039 592273820 /nfs/dbraw/zinc/27/38/20/592273820.db2.gz IGLDYARPFAKSTA-ROUUACIJSA-N 2 1 344.459 1.395 20 0 EDADMP O=C(c1ccccc1)N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903717654 592280654 /nfs/dbraw/zinc/28/06/54/592280654.db2.gz CTLBKBQVOPTRGZ-HKUYNNGSSA-N 2 1 329.444 1.213 20 0 EDADMP NC(=O)c1ccc(C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903725458 592285330 /nfs/dbraw/zinc/28/53/30/592285330.db2.gz ZVVDJUPHOUVNSX-IEBWSBKVSA-N 2 1 329.444 1.519 20 0 EDADMP C[C@H](CNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C[NH+]1CCOCC1 ZINC000904583034 592287092 /nfs/dbraw/zinc/28/70/92/592287092.db2.gz RUHBBKDKKDYCFE-CQSZACIVSA-N 2 1 334.464 1.970 20 0 EDADMP CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903730833 592287274 /nfs/dbraw/zinc/28/72/74/592287274.db2.gz ZXGIBHBTUGXDPE-FRQCXROJSA-N 2 1 337.508 1.629 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)c1 ZINC000906721590 592292937 /nfs/dbraw/zinc/29/29/37/592292937.db2.gz MXWFIMRYRQVWDI-UHFFFAOYSA-N 2 1 332.448 1.193 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H](C)O1 ZINC000903736797 592298951 /nfs/dbraw/zinc/29/89/51/592298951.db2.gz NAQZPYNKIYDIMQ-PJVZLEMVSA-N 2 1 337.508 1.329 20 0 EDADMP COCc1ncc2c(n1)CC[N@@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903776623 592318253 /nfs/dbraw/zinc/31/82/53/592318253.db2.gz VZIFIUPHXQXGOD-OAHLLOKOSA-N 2 1 332.448 1.140 20 0 EDADMP COCc1ncc2c(n1)CC[N@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903776623 592318259 /nfs/dbraw/zinc/31/82/59/592318259.db2.gz VZIFIUPHXQXGOD-OAHLLOKOSA-N 2 1 332.448 1.140 20 0 EDADMP CCOC(=O)[C@@]1(F)C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1CC ZINC000903783978 592322195 /nfs/dbraw/zinc/32/21/95/592322195.db2.gz ILDLNGJCEMLDAX-RLFYNMQTSA-N 2 1 342.455 1.758 20 0 EDADMP CN1CC[NH+](Cc2ccccc2-c2cnc3n2C[C@@H]([NH3+])CC3)CC1 ZINC000904804626 592329302 /nfs/dbraw/zinc/32/93/02/592329302.db2.gz DWYOFGBBPSADOQ-INIZCTEOSA-N 2 1 325.460 1.571 20 0 EDADMP Cn1cc([C@@H]2CSCCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cn1 ZINC000903829629 592335391 /nfs/dbraw/zinc/33/53/91/592335391.db2.gz IOWUZJFPWAFQGK-YESZJQIVSA-N 2 1 336.505 1.669 20 0 EDADMP COc1ccccc1N1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000903830090 592336232 /nfs/dbraw/zinc/33/62/32/592336232.db2.gz SGCLEKNQUCUJKB-INIZCTEOSA-N 2 1 331.460 1.586 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)cnn1C ZINC000903880081 592360791 /nfs/dbraw/zinc/36/07/91/592360791.db2.gz NYCPRMPGNFAICL-PKOBYXMFSA-N 2 1 349.523 1.033 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000903881366 592360890 /nfs/dbraw/zinc/36/08/90/592360890.db2.gz ZEOIQPVZSKMTSV-KRWDZBQOSA-N 3 1 332.496 1.510 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](CCO)[C@@H]2CCc3ccccc32)cnn1C ZINC000903893178 592365937 /nfs/dbraw/zinc/36/59/37/592365937.db2.gz RXSMLXKFFHWSGI-OXQOHEQNSA-N 2 1 342.487 1.828 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1)N1CCCC1 ZINC000903892670 592366039 /nfs/dbraw/zinc/36/60/39/592366039.db2.gz LDUCBUXYBLWUEA-HOTGVXAUSA-N 2 1 346.479 1.037 20 0 EDADMP Cc1c(C[C@H](C[NH3+])CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cnn1C ZINC000903898377 592369616 /nfs/dbraw/zinc/36/96/16/592369616.db2.gz KKGRHMDMZDOHDY-UWVAXJGDSA-N 2 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cnn1C ZINC000903898377 592369620 /nfs/dbraw/zinc/36/96/20/592369620.db2.gz KKGRHMDMZDOHDY-UWVAXJGDSA-N 3 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cnn1C ZINC000903898377 592369625 /nfs/dbraw/zinc/36/96/25/592369625.db2.gz KKGRHMDMZDOHDY-UWVAXJGDSA-N 3 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cnn1C ZINC000903898377 592369632 /nfs/dbraw/zinc/36/96/32/592369632.db2.gz KKGRHMDMZDOHDY-UWVAXJGDSA-N 3 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cnn1C ZINC000903898377 592369637 /nfs/dbraw/zinc/36/96/37/592369637.db2.gz KKGRHMDMZDOHDY-UWVAXJGDSA-N 3 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cnn1C ZINC000903898377 592369643 /nfs/dbraw/zinc/36/96/43/592369643.db2.gz KKGRHMDMZDOHDY-UWVAXJGDSA-N 2 1 345.535 1.795 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cnn1C ZINC000903898377 592369647 /nfs/dbraw/zinc/36/96/47/592369647.db2.gz KKGRHMDMZDOHDY-UWVAXJGDSA-N 2 1 345.535 1.795 20 0 EDADMP CN(C)c1cccc(C[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903899685 592370216 /nfs/dbraw/zinc/37/02/16/592370216.db2.gz WIRPKMFCKNXOBF-QGZVFWFLSA-N 2 1 328.464 1.901 20 0 EDADMP CN(C)c1cccc(C[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903899685 592370221 /nfs/dbraw/zinc/37/02/21/592370221.db2.gz WIRPKMFCKNXOBF-QGZVFWFLSA-N 2 1 328.464 1.901 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000903902570 592372187 /nfs/dbraw/zinc/37/21/87/592372187.db2.gz JTYQGUSQMLJKTP-HZPDHXFCSA-N 2 1 349.479 1.220 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905050564 592380980 /nfs/dbraw/zinc/38/09/80/592380980.db2.gz PKTUJONNWWAYLJ-SFHVURJKSA-N 2 1 336.476 1.519 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)cnn1C ZINC000903937592 592387104 /nfs/dbraw/zinc/38/71/04/592387104.db2.gz NULFTYUJQIUBTQ-UXIGCNINSA-N 2 1 348.413 1.888 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)cnn1C ZINC000903937592 592387108 /nfs/dbraw/zinc/38/71/08/592387108.db2.gz NULFTYUJQIUBTQ-UXIGCNINSA-N 2 1 348.413 1.888 20 0 EDADMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc2c1OCCO2 ZINC000903955793 592396132 /nfs/dbraw/zinc/39/61/32/592396132.db2.gz ZEGPNYPWSBSLBN-LBPRGKRZSA-N 2 1 328.359 1.801 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC000905122483 592417728 /nfs/dbraw/zinc/41/77/28/592417728.db2.gz PHFVUWJQVHIOBG-LPHOPBHVSA-N 2 1 348.487 1.704 20 0 EDADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000904305318 592473000 /nfs/dbraw/zinc/47/30/00/592473000.db2.gz KOKJZUIIUHRJNG-HOTGVXAUSA-N 2 1 325.497 1.711 20 0 EDADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000904305318 592473002 /nfs/dbraw/zinc/47/30/02/592473002.db2.gz KOKJZUIIUHRJNG-HOTGVXAUSA-N 2 1 325.497 1.711 20 0 EDADMP C[C@@](O)(C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(F)(F)C(F)(F)F ZINC000905341475 592512087 /nfs/dbraw/zinc/51/20/87/592512087.db2.gz OSQQBOAZEZOGKJ-GHMZBOCLSA-N 2 1 334.329 1.371 20 0 EDADMP C[C@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000907285860 592584496 /nfs/dbraw/zinc/58/44/96/592584496.db2.gz OUGICXJNDSAHFZ-JKSUJKDBSA-N 2 1 347.507 1.828 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000905593632 592585615 /nfs/dbraw/zinc/58/56/15/592585615.db2.gz GTTVYELCNPOHTJ-OALUTQOASA-N 2 1 348.487 1.797 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000905593632 592585617 /nfs/dbraw/zinc/58/56/17/592585617.db2.gz GTTVYELCNPOHTJ-OALUTQOASA-N 2 1 348.487 1.797 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000905690495 592605654 /nfs/dbraw/zinc/60/56/54/592605654.db2.gz PYZBIIUIGPDPKV-YDHLFZDLSA-N 2 1 327.469 1.334 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000905690495 592605656 /nfs/dbraw/zinc/60/56/56/592605656.db2.gz PYZBIIUIGPDPKV-YDHLFZDLSA-N 2 1 327.469 1.334 20 0 EDADMP c1nc2c(c(N3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)n1)CCCC2 ZINC000905701434 592615015 /nfs/dbraw/zinc/61/50/15/592615015.db2.gz ZTGMNJRXXZBMCG-IYBDPMFKSA-N 2 1 327.476 1.760 20 0 EDADMP COC(=O)C1CC2(C1)C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)CCS2 ZINC000905694859 592625411 /nfs/dbraw/zinc/62/54/11/592625411.db2.gz JKLMHMQUXUGFIZ-INCLHDFMSA-N 2 1 342.505 1.249 20 0 EDADMP COC(=O)C1CC2(C1)C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CCS2 ZINC000905694859 592625414 /nfs/dbraw/zinc/62/54/14/592625414.db2.gz JKLMHMQUXUGFIZ-INCLHDFMSA-N 2 1 342.505 1.249 20 0 EDADMP CN1CC[NH+](CCC(C)(C)NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000907456716 592665172 /nfs/dbraw/zinc/66/51/72/592665172.db2.gz OGJMGJSGGDQTPI-IRXDYDNUSA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000907456716 592665174 /nfs/dbraw/zinc/66/51/74/592665174.db2.gz OGJMGJSGGDQTPI-IRXDYDNUSA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000907456716 592665176 /nfs/dbraw/zinc/66/51/76/592665176.db2.gz OGJMGJSGGDQTPI-IRXDYDNUSA-N 2 1 336.524 1.536 20 0 EDADMP CC[C@](O)(C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)C(F)(F)F ZINC000905934187 592687910 /nfs/dbraw/zinc/68/79/10/592687910.db2.gz RKQMKGBIIUEFKC-JSGCOSHPSA-N 2 1 326.403 1.714 20 0 EDADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)[NH+](C)C ZINC000907634765 592735242 /nfs/dbraw/zinc/73/52/42/592735242.db2.gz JLNNNLXTACFFBI-JHDROBOHSA-N 2 1 333.476 1.558 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000907755364 592778996 /nfs/dbraw/zinc/77/89/96/592778996.db2.gz IGUBUOXYTPEWCS-DLBZAZTESA-N 2 1 325.497 1.726 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000907755364 592778999 /nfs/dbraw/zinc/77/89/99/592778999.db2.gz IGUBUOXYTPEWCS-DLBZAZTESA-N 2 1 325.497 1.726 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000907755364 592779000 /nfs/dbraw/zinc/77/90/00/592779000.db2.gz IGUBUOXYTPEWCS-DLBZAZTESA-N 2 1 325.497 1.726 20 0 EDADMP Cc1nccn1[C@@H]1CCC[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000730939706 592919555 /nfs/dbraw/zinc/91/95/55/592919555.db2.gz LEOJZRTVTLCZGA-MRXNPFEDSA-N 2 1 348.472 1.719 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000911666659 592973888 /nfs/dbraw/zinc/97/38/88/592973888.db2.gz ZWKVRWDMQDHPKT-BBRMVZONSA-N 2 1 328.416 1.579 20 0 EDADMP CC[C@@H](C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C ZINC000911892342 593032109 /nfs/dbraw/zinc/03/21/09/593032109.db2.gz KBMASEZRIVDDJA-IPMKNSEASA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)Cn1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000888378869 593039085 /nfs/dbraw/zinc/03/90/85/593039085.db2.gz BYGAERNOPKHWNQ-UHFFFAOYSA-N 2 1 342.447 1.938 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000736856653 593042698 /nfs/dbraw/zinc/04/26/98/593042698.db2.gz LFZJCNTUJSZUIC-KRWDZBQOSA-N 2 1 341.463 1.079 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000736856653 593042700 /nfs/dbraw/zinc/04/27/00/593042700.db2.gz LFZJCNTUJSZUIC-KRWDZBQOSA-N 2 1 341.463 1.079 20 0 EDADMP C[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000912167116 593067183 /nfs/dbraw/zinc/06/71/83/593067183.db2.gz SQVUIBONFNUVTE-SFHVURJKSA-N 2 1 345.491 1.830 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CN(C)Cc2ccccc21)C(C)C ZINC000807676139 593189811 /nfs/dbraw/zinc/18/98/11/593189811.db2.gz LOASUSDCGJCFAB-KRWDZBQOSA-N 2 1 346.475 1.136 20 0 EDADMP Cn1cnc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000808378339 593256186 /nfs/dbraw/zinc/25/61/86/593256186.db2.gz LICFTAJHPKKITE-LJQANCHMSA-N 2 1 327.476 1.889 20 0 EDADMP CN(CCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000839655039 593358092 /nfs/dbraw/zinc/35/80/92/593358092.db2.gz LZYDRYIOBGUCMS-OAHLLOKOSA-N 2 1 329.485 1.632 20 0 EDADMP CN(CCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000839655039 593358094 /nfs/dbraw/zinc/35/80/94/593358094.db2.gz LZYDRYIOBGUCMS-OAHLLOKOSA-N 2 1 329.485 1.632 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030748 593394852 /nfs/dbraw/zinc/39/48/52/593394852.db2.gz MNCWDXWMCOUHFD-UWGWQUPMSA-N 2 1 345.487 1.781 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000811874401 593485036 /nfs/dbraw/zinc/48/50/36/593485036.db2.gz CVRSBLGYCHMJAX-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000811874401 593485037 /nfs/dbraw/zinc/48/50/37/593485037.db2.gz CVRSBLGYCHMJAX-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000811874401 593485038 /nfs/dbraw/zinc/48/50/38/593485038.db2.gz CVRSBLGYCHMJAX-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP OC[C@@]1(Cc2ccccc2)CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000812873947 593511966 /nfs/dbraw/zinc/51/19/66/593511966.db2.gz PPGUJGHXTOBOJT-VQTJNVASSA-N 2 1 332.488 1.760 20 0 EDADMP OC[C@@]1(Cc2ccccc2)CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000812873947 593511967 /nfs/dbraw/zinc/51/19/67/593511967.db2.gz PPGUJGHXTOBOJT-VQTJNVASSA-N 2 1 332.488 1.760 20 0 EDADMP C[C@H](C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)C[NH+](C)C ZINC000813877108 593559430 /nfs/dbraw/zinc/55/94/30/593559430.db2.gz KRTMWUWXRIWEKB-MLGOLLRUSA-N 2 1 325.478 1.499 20 0 EDADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1Cn1cccn1 ZINC000817982906 593653478 /nfs/dbraw/zinc/65/34/78/593653478.db2.gz WBXRQUHRWQYCMO-YJBOKZPZSA-N 2 1 344.459 1.969 20 0 EDADMP Cc1cc(C)cc([C@H](O)C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000818997525 593732966 /nfs/dbraw/zinc/73/29/66/593732966.db2.gz CWCFOMOYOXVMTI-RTBURBONSA-N 2 1 347.503 1.869 20 0 EDADMP Cc1cc(C)cc([C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000818997525 593732967 /nfs/dbraw/zinc/73/29/67/593732967.db2.gz CWCFOMOYOXVMTI-RTBURBONSA-N 2 1 347.503 1.869 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000818997867 593733017 /nfs/dbraw/zinc/73/30/17/593733017.db2.gz MUAUQLAKEIQZMH-SJORKVTESA-N 2 1 337.439 1.391 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000818997867 593733018 /nfs/dbraw/zinc/73/30/18/593733018.db2.gz MUAUQLAKEIQZMH-SJORKVTESA-N 2 1 337.439 1.391 20 0 EDADMP C[N@@H+](CCCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000821600183 593875271 /nfs/dbraw/zinc/87/52/71/593875271.db2.gz BCNMSBVZGYPGAL-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP C[NH+](CCCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000821600183 593875274 /nfs/dbraw/zinc/87/52/74/593875274.db2.gz BCNMSBVZGYPGAL-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP C[NH+](CCCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000821600183 593875276 /nfs/dbraw/zinc/87/52/76/593875276.db2.gz BCNMSBVZGYPGAL-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821160952 593979516 /nfs/dbraw/zinc/97/95/16/593979516.db2.gz RYASHWDULOMURX-CQSZACIVSA-N 2 1 330.436 1.519 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821160952 593979517 /nfs/dbraw/zinc/97/95/17/593979517.db2.gz RYASHWDULOMURX-CQSZACIVSA-N 2 1 330.436 1.519 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821160952 593979519 /nfs/dbraw/zinc/97/95/19/593979519.db2.gz RYASHWDULOMURX-CQSZACIVSA-N 2 1 330.436 1.519 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821160952 593979521 /nfs/dbraw/zinc/97/95/21/593979521.db2.gz RYASHWDULOMURX-CQSZACIVSA-N 2 1 330.436 1.519 20 0 EDADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821188752 593986387 /nfs/dbraw/zinc/98/63/87/593986387.db2.gz CGLARAKDYGLDLS-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821188752 593986390 /nfs/dbraw/zinc/98/63/90/593986390.db2.gz CGLARAKDYGLDLS-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000822192067 594006120 /nfs/dbraw/zinc/00/61/20/594006120.db2.gz YAVPQJXFZJDGJK-KBPBESRZSA-N 2 1 327.436 1.799 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000822722096 594091555 /nfs/dbraw/zinc/09/15/55/594091555.db2.gz BDUILRDJSJTVSB-CQSZACIVSA-N 2 1 348.403 1.630 20 0 EDADMP CC(C)[C@H](c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1)[C@@H](C)[NH3+] ZINC000822913971 594121129 /nfs/dbraw/zinc/12/11/29/594121129.db2.gz AWGYUSNBQDSRQS-CJNGLKHVSA-N 2 1 344.463 1.970 20 0 EDADMP C[C@@H](c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1)[C@H](C)[NH3+] ZINC000822951288 594127397 /nfs/dbraw/zinc/12/73/97/594127397.db2.gz PEGUPHPKTQCRHA-OLZOCXBDSA-N 2 1 330.436 1.724 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(C)nc1Cl ZINC000822952542 594127766 /nfs/dbraw/zinc/12/77/66/594127766.db2.gz SZZHDRBITSZSMT-ZDUSSCGKSA-N 2 1 341.887 1.562 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000825760992 594240235 /nfs/dbraw/zinc/24/02/35/594240235.db2.gz GHAXTOGWMWHHMI-VVLHAWIVSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000825760992 594240237 /nfs/dbraw/zinc/24/02/37/594240237.db2.gz GHAXTOGWMWHHMI-VVLHAWIVSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000825760992 594240239 /nfs/dbraw/zinc/24/02/39/594240239.db2.gz GHAXTOGWMWHHMI-VVLHAWIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cccc(C[NH3+])c2)C[C@H](C)O1 ZINC000827684795 594257786 /nfs/dbraw/zinc/25/77/86/594257786.db2.gz XZOONOPEAHVVEE-RVKKMQEKSA-N 2 1 331.460 1.859 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cccc(C[NH3+])c2)C[C@H](C)O1 ZINC000827684795 594257788 /nfs/dbraw/zinc/25/77/88/594257788.db2.gz XZOONOPEAHVVEE-RVKKMQEKSA-N 2 1 331.460 1.859 20 0 EDADMP C[N@@H+]1CCCC12CC[NH+](CCOc1ccccc1-c1nn[nH]n1)CC2 ZINC000826033453 594311218 /nfs/dbraw/zinc/31/12/18/594311218.db2.gz DJJSDMVCAIVMFA-UHFFFAOYSA-N 2 1 342.447 1.806 20 0 EDADMP C[N@H+]1CCCC12CC[NH+](CCOc1ccccc1-c1nn[nH]n1)CC2 ZINC000826033453 594311219 /nfs/dbraw/zinc/31/12/19/594311219.db2.gz DJJSDMVCAIVMFA-UHFFFAOYSA-N 2 1 342.447 1.806 20 0 EDADMP C[NH+](C)[C@H](CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000841385524 594891188 /nfs/dbraw/zinc/89/11/88/594891188.db2.gz CZQNWIXCOJUJBX-FGTMMUONSA-N 2 1 331.460 1.659 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1c1ccccc1 ZINC000841833482 594959557 /nfs/dbraw/zinc/95/95/57/594959557.db2.gz ZQOFLCHCFUYOBL-FGTMMUONSA-N 2 1 328.460 1.607 20 0 EDADMP C[C@@]1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000841899677 594977564 /nfs/dbraw/zinc/97/75/64/594977564.db2.gz XRUNDHCDFUJPSG-HBFSDRIKSA-N 2 1 342.487 1.902 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841944172 594986945 /nfs/dbraw/zinc/98/69/45/594986945.db2.gz BLVPAPVYMNOWMQ-IEBWSBKVSA-N 2 1 346.475 1.017 20 0 EDADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000843352636 595084769 /nfs/dbraw/zinc/08/47/69/595084769.db2.gz PXBGKWDWDWISFU-UHFFFAOYSA-N 2 1 331.420 1.529 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355405 595085411 /nfs/dbraw/zinc/08/54/11/595085411.db2.gz NDXRNZFYMWPWJN-RDHHWEPZSA-N 2 1 325.497 1.900 20 0 EDADMP Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)C2=O)cc1 ZINC000842474784 595114066 /nfs/dbraw/zinc/11/40/66/595114066.db2.gz DFEHXEKNGKUHRR-RBUKOAKNSA-N 2 1 342.487 1.470 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844185635 595296041 /nfs/dbraw/zinc/29/60/41/595296041.db2.gz QWMFHEQLFNCOCK-SJLPKXTDSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844185635 595296043 /nfs/dbraw/zinc/29/60/43/595296043.db2.gz QWMFHEQLFNCOCK-SJLPKXTDSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000844224113 595308795 /nfs/dbraw/zinc/30/87/95/595308795.db2.gz GCQBTLQIRWAAER-HNNXBMFYSA-N 2 1 346.475 1.399 20 0 EDADMP COC(=O)[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H]1c1ccc(O)cc1 ZINC000846929769 595339144 /nfs/dbraw/zinc/33/91/44/595339144.db2.gz ZIAQOZRREHLWLF-ZWKOTPCHSA-N 2 1 343.427 1.947 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1c1ccc(O)cc1 ZINC000846929769 595339148 /nfs/dbraw/zinc/33/91/48/595339148.db2.gz ZIAQOZRREHLWLF-ZWKOTPCHSA-N 2 1 343.427 1.947 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000848929882 595468880 /nfs/dbraw/zinc/46/88/80/595468880.db2.gz KQBQSFGYURGZGJ-QGZVFWFLSA-N 2 1 347.459 1.237 20 0 EDADMP COc1ccc(NC(=[NH2+])NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000849072898 595478334 /nfs/dbraw/zinc/47/83/34/595478334.db2.gz PLSCOLLGVCDEQE-CYBMUJFWSA-N 2 1 333.436 1.219 20 0 EDADMP [NH2+]=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1)OCCCO2 ZINC000849073767 595478393 /nfs/dbraw/zinc/47/83/93/595478393.db2.gz BQVUUAOJHKFGCX-LSDHHAIUSA-N 2 1 346.431 1.647 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000849110382 595483330 /nfs/dbraw/zinc/48/33/30/595483330.db2.gz HMLCBFZEMWALSO-HNNXBMFYSA-N 2 1 345.495 1.243 20 0 EDADMP CC(C)[C@H]1C[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCO1 ZINC000849115514 595484249 /nfs/dbraw/zinc/48/42/49/595484249.db2.gz WZEODCXHIPCJFE-JKSUJKDBSA-N 2 1 326.485 1.274 20 0 EDADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852763825 595532326 /nfs/dbraw/zinc/53/23/26/595532326.db2.gz ZLUUEVSYYNWHPW-MRXNPFEDSA-N 3 1 334.512 1.518 20 0 EDADMP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc21 ZINC000852797741 595547690 /nfs/dbraw/zinc/54/76/90/595547690.db2.gz AKIDEEHYAOTLCZ-KSZLIROESA-N 2 1 343.471 1.658 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849497905 595551721 /nfs/dbraw/zinc/55/17/21/595551721.db2.gz PLHVNFBMSLJDOJ-DLBZAZTESA-N 2 1 335.496 1.302 20 0 EDADMP CC(C)[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849497905 595551723 /nfs/dbraw/zinc/55/17/23/595551723.db2.gz PLHVNFBMSLJDOJ-DLBZAZTESA-N 2 1 335.496 1.302 20 0 EDADMP CC(C)[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849497905 595551726 /nfs/dbraw/zinc/55/17/26/595551726.db2.gz PLHVNFBMSLJDOJ-DLBZAZTESA-N 2 1 335.496 1.302 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCCCC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849540371 595559374 /nfs/dbraw/zinc/55/93/74/595559374.db2.gz FIGCIYOEPXEPNE-QZTJIDSGSA-N 2 1 349.523 1.692 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849555645 595566143 /nfs/dbraw/zinc/56/61/43/595566143.db2.gz XTQXPYOJBIFYBF-KURKYZTESA-N 2 1 347.507 1.398 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849555646 595566567 /nfs/dbraw/zinc/56/65/67/595566567.db2.gz XTQXPYOJBIFYBF-KZNAEPCWSA-N 2 1 347.507 1.398 20 0 EDADMP [NH3+][C@@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1Br ZINC000852834417 595566906 /nfs/dbraw/zinc/56/69/06/595566906.db2.gz PQFRJLWISQYRKX-UKRRQHHQSA-N 2 1 338.249 1.803 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849583033 595581721 /nfs/dbraw/zinc/58/17/21/595581721.db2.gz QYCQEFXQZVSQRB-IRXDYDNUSA-N 2 1 347.507 1.398 20 0 EDADMP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)=NO1 ZINC000852861743 595583278 /nfs/dbraw/zinc/58/32/78/595583278.db2.gz IIKAZBGLCZKIDS-HOTGVXAUSA-N 2 1 330.432 1.118 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849598328 595587429 /nfs/dbraw/zinc/58/74/29/595587429.db2.gz ZNZUFWPIYAXFAQ-JQHSSLGASA-N 2 1 349.523 1.692 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849598328 595587433 /nfs/dbraw/zinc/58/74/33/595587433.db2.gz ZNZUFWPIYAXFAQ-JQHSSLGASA-N 2 1 349.523 1.692 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849598328 595587435 /nfs/dbraw/zinc/58/74/35/595587435.db2.gz ZNZUFWPIYAXFAQ-JQHSSLGASA-N 2 1 349.523 1.692 20 0 EDADMP O=C(C=C1CC[NH2+]CC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000852887124 595599578 /nfs/dbraw/zinc/59/95/78/595599578.db2.gz GCGXSLYLSHMNPT-IBGZPJMESA-N 2 1 343.471 1.704 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCn4cncc43)CC2)CC1 ZINC000857979329 595674151 /nfs/dbraw/zinc/67/41/51/595674151.db2.gz WBRKKTGYZNRPGP-QGZVFWFLSA-N 2 1 345.491 1.640 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@H]2COCC23OCCO3)CC1(C)C ZINC000858178598 595721790 /nfs/dbraw/zinc/72/17/90/595721790.db2.gz YVOQDKPHYUKEHK-LSDHHAIUSA-N 2 1 326.481 1.865 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000860760155 595787112 /nfs/dbraw/zinc/78/71/12/595787112.db2.gz HAXYONVDLUBIKZ-UHFFFAOYSA-N 2 1 342.443 1.959 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000860760155 595787115 /nfs/dbraw/zinc/78/71/15/595787115.db2.gz HAXYONVDLUBIKZ-UHFFFAOYSA-N 2 1 342.443 1.959 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851730808 595900420 /nfs/dbraw/zinc/90/04/20/595900420.db2.gz GTIDGQAAPNUKAT-FQEVSTJZSA-N 2 1 347.503 1.803 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CC[C@H](OC)C3)CC2)CC1 ZINC000851764242 595914064 /nfs/dbraw/zinc/91/40/64/595914064.db2.gz HBOSBJZESXSJLG-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[C@H]3CCNC3=O)C2)ccn1 ZINC000856585134 596023541 /nfs/dbraw/zinc/02/35/41/596023541.db2.gz ZSIOBSTWMICKOP-CRAIPNDOSA-N 2 1 346.475 1.513 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC[C@H]3CCNC3=O)C2)ccn1 ZINC000856585134 596023545 /nfs/dbraw/zinc/02/35/45/596023545.db2.gz ZSIOBSTWMICKOP-CRAIPNDOSA-N 2 1 346.475 1.513 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC[C@H]3CCNC3=O)C2)ccn1 ZINC000856585134 596023550 /nfs/dbraw/zinc/02/35/50/596023550.db2.gz ZSIOBSTWMICKOP-CRAIPNDOSA-N 2 1 346.475 1.513 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCN3CCCC3=O)C2)ccn1 ZINC000856591592 596024434 /nfs/dbraw/zinc/02/44/34/596024434.db2.gz OHGKXVFYVYIPGM-GOSISDBHSA-N 2 1 346.475 1.609 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCN3CCCC3=O)C2)ccn1 ZINC000856591592 596024437 /nfs/dbraw/zinc/02/44/37/596024437.db2.gz OHGKXVFYVYIPGM-GOSISDBHSA-N 2 1 346.475 1.609 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)ccn1 ZINC000856591592 596024442 /nfs/dbraw/zinc/02/44/42/596024442.db2.gz OHGKXVFYVYIPGM-GOSISDBHSA-N 2 1 346.475 1.609 20 0 EDADMP COC(=O)CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597504 596028104 /nfs/dbraw/zinc/02/81/04/596028104.db2.gz INIXQUWZYFEJQK-QGZVFWFLSA-N 2 1 335.448 1.938 20 0 EDADMP COC(=O)CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597504 596028108 /nfs/dbraw/zinc/02/81/08/596028108.db2.gz INIXQUWZYFEJQK-QGZVFWFLSA-N 2 1 335.448 1.938 20 0 EDADMP COC(=O)CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597504 596028112 /nfs/dbraw/zinc/02/81/12/596028112.db2.gz INIXQUWZYFEJQK-QGZVFWFLSA-N 2 1 335.448 1.938 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)ccn1 ZINC000856638633 596041538 /nfs/dbraw/zinc/04/15/38/596041538.db2.gz XJSKWCOTKKONDE-GOSISDBHSA-N 2 1 348.491 1.853 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)ccn1 ZINC000856638633 596041542 /nfs/dbraw/zinc/04/15/42/596041542.db2.gz XJSKWCOTKKONDE-GOSISDBHSA-N 2 1 348.491 1.853 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)ccn1 ZINC000856638633 596041545 /nfs/dbraw/zinc/04/15/45/596041545.db2.gz XJSKWCOTKKONDE-GOSISDBHSA-N 2 1 348.491 1.853 20 0 EDADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOCCNC(=O)OC(C)(C)C)C2 ZINC000852104789 596044893 /nfs/dbraw/zinc/04/48/93/596044893.db2.gz FUHAXTLHDWIWFV-SFHVURJKSA-N 2 1 341.496 1.945 20 0 EDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOCCNC(=O)OC(C)(C)C)C2 ZINC000852104789 596044895 /nfs/dbraw/zinc/04/48/95/596044895.db2.gz FUHAXTLHDWIWFV-SFHVURJKSA-N 2 1 341.496 1.945 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOCCNC(=O)OC(C)(C)C)C2 ZINC000852104789 596044898 /nfs/dbraw/zinc/04/48/98/596044898.db2.gz FUHAXTLHDWIWFV-SFHVURJKSA-N 2 1 341.496 1.945 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOCCNC(=O)OC(C)(C)C)C2 ZINC000852104789 596044901 /nfs/dbraw/zinc/04/49/01/596044901.db2.gz FUHAXTLHDWIWFV-SFHVURJKSA-N 2 1 341.496 1.945 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000861619776 596049524 /nfs/dbraw/zinc/04/95/24/596049524.db2.gz NHFCPWPVZDONDP-DOPJRALCSA-N 2 1 346.475 1.962 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC[C@@H]3CC3(Cl)Cl)cn2)CC1 ZINC000856805888 596089452 /nfs/dbraw/zinc/08/94/52/596089452.db2.gz YIDLPMHNOAFTHN-CYBMUJFWSA-N 2 1 344.290 1.902 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)Nc2ccc(Cl)nc2)CC1 ZINC000852749382 596237747 /nfs/dbraw/zinc/23/77/47/596237747.db2.gz LZDFIZGEWLOYJQ-CJNGLKHVSA-N 2 1 338.839 1.502 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000864610285 596281637 /nfs/dbraw/zinc/28/16/37/596281637.db2.gz MSNSPQNBNFJCKT-KGLIPLIRSA-N 2 1 342.484 1.042 20 0 EDADMP Cc1cccc(OCC[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866709528 596303489 /nfs/dbraw/zinc/30/34/89/596303489.db2.gz RWBYHBCEDUHDAW-UAGQMJEPSA-N 2 1 331.416 1.241 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000866712824 596305645 /nfs/dbraw/zinc/30/56/45/596305645.db2.gz YKCYLAFKWUQHBT-OGWHTMIXSA-N 2 1 341.455 1.973 20 0 EDADMP O=C([C@H](O)c1cnc[nH]1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000864703805 596313703 /nfs/dbraw/zinc/31/37/03/596313703.db2.gz XHICCZLRBSFCKZ-MRXNPFEDSA-N 2 1 348.834 1.831 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000870976049 596423605 /nfs/dbraw/zinc/42/36/05/596423605.db2.gz NPAPSQAPLVDDKO-UCIFAOBLSA-N 2 1 337.508 1.767 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000870976049 596423607 /nfs/dbraw/zinc/42/36/07/596423607.db2.gz NPAPSQAPLVDDKO-UCIFAOBLSA-N 2 1 337.508 1.767 20 0 EDADMP Cc1ccccc1CN1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000871279876 596519933 /nfs/dbraw/zinc/51/99/33/596519933.db2.gz BXWCYPMWJCMFSY-BHIYHBOVSA-N 2 1 345.487 1.652 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000871279876 596519935 /nfs/dbraw/zinc/51/99/35/596519935.db2.gz BXWCYPMWJCMFSY-BHIYHBOVSA-N 2 1 345.487 1.652 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000871279876 596519937 /nfs/dbraw/zinc/51/99/37/596519937.db2.gz BXWCYPMWJCMFSY-BHIYHBOVSA-N 2 1 345.487 1.652 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000871279876 596519939 /nfs/dbraw/zinc/51/99/39/596519939.db2.gz BXWCYPMWJCMFSY-BHIYHBOVSA-N 2 1 345.487 1.652 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000871279876 596519941 /nfs/dbraw/zinc/51/99/41/596519941.db2.gz BXWCYPMWJCMFSY-BHIYHBOVSA-N 2 1 345.487 1.652 20 0 EDADMP COCC[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865456660 596581121 /nfs/dbraw/zinc/58/11/21/596581121.db2.gz PKEDVESJYNYXGX-CABCVRRESA-N 2 1 329.485 1.848 20 0 EDADMP COC(=O)c1csc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000871784386 596699724 /nfs/dbraw/zinc/69/97/24/596699724.db2.gz CJNSPNPFBDKFAW-FGWVZKOKSA-N 2 1 338.433 1.801 20 0 EDADMP COC(=O)c1csc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000871784386 596699729 /nfs/dbraw/zinc/69/97/29/596699729.db2.gz CJNSPNPFBDKFAW-FGWVZKOKSA-N 2 1 338.433 1.801 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868225282 596734674 /nfs/dbraw/zinc/73/46/74/596734674.db2.gz QBIVZYHHXASDJM-RRQGHBQHSA-N 2 1 344.459 1.430 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000872257786 596857224 /nfs/dbraw/zinc/85/72/24/596857224.db2.gz WZMPRGKLDYLICK-RTXFEEFZSA-N 2 1 327.837 1.768 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000872257786 596857226 /nfs/dbraw/zinc/85/72/26/596857226.db2.gz WZMPRGKLDYLICK-RTXFEEFZSA-N 2 1 327.837 1.768 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1ccco1 ZINC000874432307 597075843 /nfs/dbraw/zinc/07/58/43/597075843.db2.gz XDNJUJPFWPJKHX-GRYCIOLGSA-N 2 1 348.369 1.661 20 0 EDADMP COC(=O)[C@]12CCC[C@H]1[N@@H+](CN1C[C@@H](c3cncn3C)CC1=O)CC2 ZINC000872827940 597088774 /nfs/dbraw/zinc/08/87/74/597088774.db2.gz PFDWDQHFLIPFSO-JOQOYGCGSA-N 2 1 346.431 1.111 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000874830033 597188641 /nfs/dbraw/zinc/18/86/41/597188641.db2.gz PYXOXLHVOQZFAI-YESZJQIVSA-N 2 1 337.533 1.899 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1)N1CC[NH2+]CC1 ZINC000873200825 597224898 /nfs/dbraw/zinc/22/48/98/597224898.db2.gz HENUMBXGAQJXQQ-AWEZNQCLSA-N 3 1 348.516 1.038 20 0 EDADMP O=C([C@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1)N1CCNCC1 ZINC000873200825 597224899 /nfs/dbraw/zinc/22/48/99/597224899.db2.gz HENUMBXGAQJXQQ-AWEZNQCLSA-N 2 1 348.516 1.038 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1)N1CCNCC1 ZINC000873200825 597224900 /nfs/dbraw/zinc/22/49/00/597224900.db2.gz HENUMBXGAQJXQQ-AWEZNQCLSA-N 2 1 348.516 1.038 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000876519093 597227954 /nfs/dbraw/zinc/22/79/54/597227954.db2.gz RWCRNXJCXMZWGO-UHFFFAOYSA-N 2 1 342.399 1.739 20 0 EDADMP NC(=O)COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000873226862 597234036 /nfs/dbraw/zinc/23/40/36/597234036.db2.gz CKUSOXFAMDACSF-YPMHNXCESA-N 2 1 331.338 1.120 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000873226862 597234038 /nfs/dbraw/zinc/23/40/38/597234038.db2.gz CKUSOXFAMDACSF-YPMHNXCESA-N 2 1 331.338 1.120 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccco1 ZINC000874995923 597236489 /nfs/dbraw/zinc/23/64/89/597236489.db2.gz WNWYNDKWMLJONN-KBPBESRZSA-N 2 1 338.452 1.027 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccco1 ZINC000874995923 597236491 /nfs/dbraw/zinc/23/64/91/597236491.db2.gz WNWYNDKWMLJONN-KBPBESRZSA-N 2 1 338.452 1.027 20 0 EDADMP [NH3+]C1(CC(=O)NO[C@@H]2CCCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000876706230 597295632 /nfs/dbraw/zinc/29/56/32/597295632.db2.gz KRTXDWPBWLSODD-GOSISDBHSA-N 2 1 347.459 1.944 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876717940 597303243 /nfs/dbraw/zinc/30/32/43/597303243.db2.gz IXXLFGNJWJTRPF-WMZOPIPTSA-N 2 1 333.451 1.977 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876735898 597312866 /nfs/dbraw/zinc/31/28/66/597312866.db2.gz RJPNRAGEYQIBSH-OKZBNKHCSA-N 2 1 333.451 1.962 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000876755652 597323766 /nfs/dbraw/zinc/32/37/66/597323766.db2.gz WFFIPRMRVQXIEE-CVEARBPZSA-N 2 1 331.464 1.330 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H](C)C1 ZINC000876763229 597328842 /nfs/dbraw/zinc/32/88/42/597328842.db2.gz DHSAFWBOIFTUFJ-FQUUOJAGSA-N 2 1 333.423 1.080 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876785307 597339554 /nfs/dbraw/zinc/33/95/54/597339554.db2.gz UNKLLNRBWNPYLV-NUJGCVRESA-N 2 1 348.466 1.261 20 0 EDADMP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000876853665 597359904 /nfs/dbraw/zinc/35/99/04/597359904.db2.gz NUQWNDXNQBMOAU-NSHDSACASA-N 2 1 344.431 1.598 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877115955 597436681 /nfs/dbraw/zinc/43/66/81/597436681.db2.gz XSZIPJAQZHNLSW-INIZCTEOSA-N 2 1 339.505 1.792 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877115955 597436684 /nfs/dbraw/zinc/43/66/84/597436684.db2.gz XSZIPJAQZHNLSW-INIZCTEOSA-N 2 1 339.505 1.792 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877133466 597439756 /nfs/dbraw/zinc/43/97/56/597439756.db2.gz BUKZOBYSAOMMSX-LAVFITLUSA-N 2 1 333.451 1.818 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000877231751 597470539 /nfs/dbraw/zinc/47/05/39/597470539.db2.gz SIQUVRFXVUMSRX-MJGOQNOKSA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000877231751 597470540 /nfs/dbraw/zinc/47/05/40/597470540.db2.gz SIQUVRFXVUMSRX-MJGOQNOKSA-N 2 1 345.487 1.702 20 0 EDADMP [NH3+][C@@H](C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)c1ccc(F)cc1F ZINC000877341530 597495915 /nfs/dbraw/zinc/49/59/15/597495915.db2.gz YXTUVAQUWAFGTE-RHSMWYFYSA-N 2 1 331.366 1.795 20 0 EDADMP Cn1c2cc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)ccc2oc1=O ZINC000877746957 597552909 /nfs/dbraw/zinc/55/29/09/597552909.db2.gz OYMGRUHEKGIKMH-UHFFFAOYSA-N 2 1 344.459 1.343 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CC1 ZINC000877980833 597567683 /nfs/dbraw/zinc/56/76/83/597567683.db2.gz KAKHCBSZNKQRGB-CALCHBBNSA-N 2 1 342.487 1.265 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000883062052 597636739 /nfs/dbraw/zinc/63/67/39/597636739.db2.gz PJJBAWPIAPGQQT-WBVHZDCISA-N 2 1 334.464 1.691 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883135983 597663237 /nfs/dbraw/zinc/66/32/37/597663237.db2.gz RLIMHRGIPDZJLR-CVEARBPZSA-N 2 1 343.475 1.786 20 0 EDADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702506 597694411 /nfs/dbraw/zinc/69/44/11/597694411.db2.gz NLUVTNCPRDBARM-CQSZACIVSA-N 2 1 326.485 1.520 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C3CCC4(COC4)CC3)cn2)CC1 ZINC000883390327 597729941 /nfs/dbraw/zinc/72/99/41/597729941.db2.gz JQHASCYRCCBDRV-UHFFFAOYSA-N 2 1 331.464 1.277 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1)[C@@H]1CCC[NH2+]1 ZINC000883424605 597741977 /nfs/dbraw/zinc/74/19/77/597741977.db2.gz XQJVZZYSWRQNPK-ULQDDVLXSA-N 2 1 335.492 1.668 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@]3(CCc4ccccc43)C2)CC1 ZINC000879997687 597803450 /nfs/dbraw/zinc/80/34/50/597803450.db2.gz RDGMYIUWQSCMAX-HXUWFJFHSA-N 2 1 327.472 1.787 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)CCN1c1cc[nH+]cc1 ZINC000880258864 597885561 /nfs/dbraw/zinc/88/55/61/597885561.db2.gz DKPFDIOGLMANFR-GFCCVEGCSA-N 2 1 330.354 1.661 20 0 EDADMP CNC(=O)NC[C@@H]1CCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000879334956 597890267 /nfs/dbraw/zinc/89/02/67/597890267.db2.gz NSISMXJJCVQTBX-KRWDZBQOSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000883779181 597897936 /nfs/dbraw/zinc/89/79/36/597897936.db2.gz QVAQOSDQVXWCFP-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)CC1 ZINC000880554478 597961721 /nfs/dbraw/zinc/96/17/21/597961721.db2.gz BWXUXKMDEWICEH-SFHVURJKSA-N 2 1 342.487 1.681 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCC[NH2+]C)c1 ZINC000884231895 598038287 /nfs/dbraw/zinc/03/82/87/598038287.db2.gz CZHWHLYJTHQWHP-SJORKVTESA-N 2 1 331.460 1.984 20 0 EDADMP CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000884401192 598093779 /nfs/dbraw/zinc/09/37/79/598093779.db2.gz HJDDYUSAQPEQBM-DLBZAZTESA-N 2 1 331.460 1.115 20 0 EDADMP CC[NH+]1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2CC)ncc1OC ZINC000882960927 598117622 /nfs/dbraw/zinc/11/76/22/598117622.db2.gz ZJFGRTZWQORAAR-KGLIPLIRSA-N 2 1 334.468 1.497 20 0 EDADMP CC[NH+]1CC[C@H]1CNc1ncc(OC)c(NC[C@H]2CC[N@@H+]2CC)n1 ZINC000882960927 598117625 /nfs/dbraw/zinc/11/76/25/598117625.db2.gz ZJFGRTZWQORAAR-KGLIPLIRSA-N 2 1 334.468 1.497 20 0 EDADMP CC[NH+]1CC[C@H]1CNc1ncc(OC)c(NC[C@H]2CC[N@H+]2CC)n1 ZINC000882960927 598117626 /nfs/dbraw/zinc/11/76/26/598117626.db2.gz ZJFGRTZWQORAAR-KGLIPLIRSA-N 2 1 334.468 1.497 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000914068298 695057919 /nfs/dbraw/zinc/05/79/19/695057919.db2.gz JSZDHRJMVXOTDZ-RBSFLKMASA-N 2 1 328.526 1.596 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000914081388 695078666 /nfs/dbraw/zinc/07/86/66/695078666.db2.gz VPMCAZJILFTWPO-BZUAXINKSA-N 2 1 340.537 1.740 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000914190498 695266511 /nfs/dbraw/zinc/26/65/11/695266511.db2.gz SUVWCWBGJOEVPN-DAYGRLMNSA-N 2 1 330.476 1.825 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000914190498 695266512 /nfs/dbraw/zinc/26/65/12/695266512.db2.gz SUVWCWBGJOEVPN-DAYGRLMNSA-N 2 1 330.476 1.825 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000914190498 695266514 /nfs/dbraw/zinc/26/65/14/695266514.db2.gz SUVWCWBGJOEVPN-DAYGRLMNSA-N 2 1 330.476 1.825 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](CCC3CCOCC3)C2)CC1 ZINC001031188625 695707554 /nfs/dbraw/zinc/70/75/54/695707554.db2.gz VGPCIGHZBQTVDT-UHFFFAOYSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CC[N@H+]1C ZINC000915360467 695801137 /nfs/dbraw/zinc/80/11/37/695801137.db2.gz GJWFGKYPISHCRW-ZBFHGGJFSA-N 2 1 334.464 1.519 20 0 EDADMP CCO[C@H](CNC(=O)NCC[N@@H+](C)C1CCCCC1)C[NH+](C)C ZINC000915649213 695960647 /nfs/dbraw/zinc/96/06/47/695960647.db2.gz VCNXWIRIJAFNBB-MRXNPFEDSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@H+]1CC1CCC1 ZINC000993362326 696009192 /nfs/dbraw/zinc/00/91/92/696009192.db2.gz HLGBZVLTJVXKNK-RDJZCZTQSA-N 2 1 347.507 1.828 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CCC[N@H+]1CCO ZINC000993628545 696292042 /nfs/dbraw/zinc/29/20/42/696292042.db2.gz HSCHUBDQZQRUGK-QAPCUYQASA-N 2 1 333.476 1.366 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCC[N@H+]1CCO ZINC000993800751 696377848 /nfs/dbraw/zinc/37/78/48/696377848.db2.gz AXFTZCWGTXOOMX-QAPCUYQASA-N 2 1 333.476 1.366 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC3CCOCC3)C1)C2 ZINC001015705534 696597582 /nfs/dbraw/zinc/59/75/82/696597582.db2.gz MVZFHHLYBHLYDE-SJORKVTESA-N 2 1 346.475 1.371 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC3CCOCC3)C1)C2 ZINC001015705534 696597583 /nfs/dbraw/zinc/59/75/83/696597583.db2.gz MVZFHHLYBHLYDE-SJORKVTESA-N 2 1 346.475 1.371 20 0 EDADMP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000916874168 696804004 /nfs/dbraw/zinc/80/40/04/696804004.db2.gz QYNQDYUCLDSIFH-LSDHHAIUSA-N 2 1 326.510 1.207 20 0 EDADMP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1CCc1ccnn1C ZINC000994408669 696821403 /nfs/dbraw/zinc/82/14/03/696821403.db2.gz OMDJSWXAMGCAHM-DOTOQJQBSA-N 2 1 333.480 1.028 20 0 EDADMP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1CCc1ccnn1C ZINC000994408669 696821407 /nfs/dbraw/zinc/82/14/07/696821407.db2.gz OMDJSWXAMGCAHM-DOTOQJQBSA-N 2 1 333.480 1.028 20 0 EDADMP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1CCC1CCOCC1 ZINC000994404704 696828113 /nfs/dbraw/zinc/82/81/13/696828113.db2.gz GWGIORBTBJWRNH-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1CCC1CCOCC1 ZINC000994404704 696828115 /nfs/dbraw/zinc/82/81/15/696828115.db2.gz GWGIORBTBJWRNH-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CC2CCOCC2)[C@@H]1C ZINC000994417828 696833261 /nfs/dbraw/zinc/83/32/61/696833261.db2.gz GBJCLLGTVJFOHK-PBHICJAKSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CC2CCOCC2)[C@@H]1C ZINC000994417828 696833264 /nfs/dbraw/zinc/83/32/64/696833264.db2.gz GBJCLLGTVJFOHK-PBHICJAKSA-N 2 1 334.464 1.587 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2ccccc2C[NH+](C)C)CCC[N@H+]1CCCO ZINC000994482940 696923407 /nfs/dbraw/zinc/92/34/07/696923407.db2.gz FUSDULCCQNPWCZ-CRAIPNDOSA-N 2 1 333.476 1.713 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](OC)C2CCCC2)C1 ZINC001031440188 697112053 /nfs/dbraw/zinc/11/20/53/697112053.db2.gz SADBGYCRXNKYME-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](OC)C2CCCC2)C1 ZINC001031440188 697112055 /nfs/dbraw/zinc/11/20/55/697112055.db2.gz SADBGYCRXNKYME-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000918217797 697140539 /nfs/dbraw/zinc/14/05/39/697140539.db2.gz WWJOHJANUKUSBT-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP CCCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000918217797 697140540 /nfs/dbraw/zinc/14/05/40/697140540.db2.gz WWJOHJANUKUSBT-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP CCCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000918217797 697140541 /nfs/dbraw/zinc/14/05/41/697140541.db2.gz WWJOHJANUKUSBT-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000919627373 697304968 /nfs/dbraw/zinc/30/49/68/697304968.db2.gz KMEDOJFEIQJINJ-NVXWUHKLSA-N 2 1 336.480 1.023 20 0 EDADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C(F)F)C1)[NH+]1CC[C@@H](C(F)F)C1 ZINC000930126553 697423235 /nfs/dbraw/zinc/42/32/35/697423235.db2.gz KKLJGFLISONFNV-GRYCIOLGSA-N 2 1 339.377 1.665 20 0 EDADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C(F)F)C1)[NH+]1CC[C@@H](C(F)F)C1 ZINC000930126553 697423236 /nfs/dbraw/zinc/42/32/36/697423236.db2.gz KKLJGFLISONFNV-GRYCIOLGSA-N 2 1 339.377 1.665 20 0 EDADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C(F)F)C1)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000930126553 697423239 /nfs/dbraw/zinc/42/32/39/697423239.db2.gz KKLJGFLISONFNV-GRYCIOLGSA-N 2 1 339.377 1.665 20 0 EDADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C(F)F)C1)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000930126553 697423240 /nfs/dbraw/zinc/42/32/40/697423240.db2.gz KKLJGFLISONFNV-GRYCIOLGSA-N 2 1 339.377 1.665 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)CC[N@H+]1C ZINC000920406056 697426839 /nfs/dbraw/zinc/42/68/39/697426839.db2.gz XFKOSZNVBWHLOT-APIJFGDWSA-N 2 1 326.510 1.348 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC[NH+]1C ZINC000920406056 697426841 /nfs/dbraw/zinc/42/68/41/697426841.db2.gz XFKOSZNVBWHLOT-APIJFGDWSA-N 2 1 326.510 1.348 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC[NH+]1C ZINC000920406056 697426844 /nfs/dbraw/zinc/42/68/44/697426844.db2.gz XFKOSZNVBWHLOT-APIJFGDWSA-N 2 1 326.510 1.348 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031669036 697464305 /nfs/dbraw/zinc/46/43/05/697464305.db2.gz WKTJLXDVKMXRTK-IRXDYDNUSA-N 2 1 346.475 1.714 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031669036 697464306 /nfs/dbraw/zinc/46/43/06/697464306.db2.gz WKTJLXDVKMXRTK-IRXDYDNUSA-N 2 1 346.475 1.714 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cn(C)nc3C)C2)CC[N@@H+]1C ZINC001031684078 697515127 /nfs/dbraw/zinc/51/51/27/697515127.db2.gz GDKSKTYJGCGJKF-DLBZAZTESA-N 2 1 333.480 1.007 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cn(C)nc3C)C2)CC[N@H+]1C ZINC001031684078 697515129 /nfs/dbraw/zinc/51/51/29/697515129.db2.gz GDKSKTYJGCGJKF-DLBZAZTESA-N 2 1 333.480 1.007 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001031714746 697737493 /nfs/dbraw/zinc/73/74/93/697737493.db2.gz LYOATJKFLKKDED-OAHLLOKOSA-N 2 1 329.435 1.954 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001031713832 697739296 /nfs/dbraw/zinc/73/92/96/697739296.db2.gz GHGSRDGQYUWWKC-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001031715609 697741521 /nfs/dbraw/zinc/74/15/21/697741521.db2.gz XKBMEHNZGAOEJN-DLBZAZTESA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)on1 ZINC000995035798 700179890 /nfs/dbraw/zinc/17/98/90/700179890.db2.gz IXALPFINCIFFED-GJZGRUSLSA-N 2 1 331.420 1.563 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943337626 698156206 /nfs/dbraw/zinc/15/62/06/698156206.db2.gz YUHJYRQPVKGFOG-YJBOKZPZSA-N 2 1 347.507 1.479 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000046673115 698309446 /nfs/dbraw/zinc/30/94/46/698309446.db2.gz YOIUUEFZWLUWAF-UHFFFAOYSA-N 2 1 346.475 1.208 20 0 EDADMP C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000943516312 698430459 /nfs/dbraw/zinc/43/04/59/698430459.db2.gz LIWRKCMIQVCOMN-MAUKXSAKSA-N 2 1 333.476 1.571 20 0 EDADMP Cn1cc(CC[NH+]2CC(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)cn1 ZINC001031765460 699051814 /nfs/dbraw/zinc/05/18/14/699051814.db2.gz HKFUCKYSDKMIBP-ZWKOTPCHSA-N 2 1 345.491 1.028 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccn2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001031767262 699070964 /nfs/dbraw/zinc/07/09/64/699070964.db2.gz URMSVUZXAULKTP-ZWKOTPCHSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccn2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001031767262 699070968 /nfs/dbraw/zinc/07/09/68/699070968.db2.gz URMSVUZXAULKTP-ZWKOTPCHSA-N 2 1 328.460 1.647 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)nc1 ZINC000939064049 699131050 /nfs/dbraw/zinc/13/10/50/699131050.db2.gz QBEDCJCXDPTZSI-GDBMZVCRSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)c(C)o1 ZINC000939137049 699223559 /nfs/dbraw/zinc/22/35/59/699223559.db2.gz DOWWINCDCSOUSI-SUMWQHHRSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)c(C)o1 ZINC000939137049 699223562 /nfs/dbraw/zinc/22/35/62/699223562.db2.gz DOWWINCDCSOUSI-SUMWQHHRSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939137203 699223887 /nfs/dbraw/zinc/22/38/87/699223887.db2.gz FMYJFACLXYVOLQ-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939137203 699223890 /nfs/dbraw/zinc/22/38/90/699223890.db2.gz FMYJFACLXYVOLQ-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567373 701579718 /nfs/dbraw/zinc/57/97/18/701579718.db2.gz SEALGGKYIHTLFN-IRXDYDNUSA-N 2 1 336.524 1.203 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)c(C)o1 ZINC000939397672 699547228 /nfs/dbraw/zinc/54/72/28/699547228.db2.gz MEPYUTZLMQEQDP-KBXCAEBGSA-N 2 1 348.491 1.960 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ccon3)[C@@H](C)C2)CC1 ZINC000939445536 699578486 /nfs/dbraw/zinc/57/84/86/699578486.db2.gz ALYYEVJCOQYZNA-YOEHRIQHSA-N 2 1 334.464 1.732 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)cs1 ZINC000939551265 699700418 /nfs/dbraw/zinc/70/04/18/699700418.db2.gz RSSBABLKCRHJKA-SWLSCSKDSA-N 2 1 334.489 1.484 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)cc1 ZINC000939748566 699895435 /nfs/dbraw/zinc/89/54/35/699895435.db2.gz QNQXLXMANJHYLU-KBXCAEBGSA-N 2 1 342.443 1.837 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)cn1 ZINC000939749020 699896157 /nfs/dbraw/zinc/89/61/57/699896157.db2.gz SIKYVHHRZGRYAV-CJNGLKHVSA-N 2 1 343.431 1.232 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000939749677 699897134 /nfs/dbraw/zinc/89/71/34/699897134.db2.gz WXIZGWLXEUHSOP-DYVFJYSZSA-N 2 1 330.407 1.967 20 0 EDADMP Cc1ncsc1CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000939752979 699902288 /nfs/dbraw/zinc/90/22/88/699902288.db2.gz BUMWWENKTSCSOG-SWLSCSKDSA-N 2 1 347.488 1.636 20 0 EDADMP CCCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000939754359 699904566 /nfs/dbraw/zinc/90/45/66/699904566.db2.gz MTILFCOTBHRJAH-GOEBONIOSA-N 2 1 348.495 1.029 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCN(C3C[NH+](CCC4CCCC4)C3)CC2)C1 ZINC000941666350 701620676 /nfs/dbraw/zinc/62/06/76/701620676.db2.gz WLERIHIBJZTUKK-GOSISDBHSA-N 2 1 348.535 1.347 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)co1 ZINC000939813383 699960778 /nfs/dbraw/zinc/96/07/78/699960778.db2.gz ZWMJNHWJRDCIDM-WMLDXEAASA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000940179164 700312679 /nfs/dbraw/zinc/31/26/79/700312679.db2.gz RHNXPXAHAXERAL-OAHLLOKOSA-N 2 1 335.452 1.333 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940179576 700313736 /nfs/dbraw/zinc/31/37/36/700313736.db2.gz YPMQKDRCXQATHG-HNNXBMFYSA-N 2 1 331.464 1.432 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC3CCC3)CC2)C1 ZINC000940279247 700446176 /nfs/dbraw/zinc/44/61/76/700446176.db2.gz PARKTRDZWSCXIP-KRWDZBQOSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC3CCC3)CC2)C1 ZINC000940279247 700446178 /nfs/dbraw/zinc/44/61/78/700446178.db2.gz PARKTRDZWSCXIP-KRWDZBQOSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000940328894 700507291 /nfs/dbraw/zinc/50/72/91/700507291.db2.gz MUEYXBRHKWFFBN-AWEZNQCLSA-N 2 1 334.464 1.796 20 0 EDADMP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000940329670 700509530 /nfs/dbraw/zinc/50/95/30/700509530.db2.gz WJCIJINFCNZORT-ZIAGYGMSSA-N 2 1 349.479 1.300 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940426488 700620558 /nfs/dbraw/zinc/62/05/58/700620558.db2.gz SRHWFIXLWMICIX-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940426488 700620560 /nfs/dbraw/zinc/62/05/60/700620560.db2.gz SRHWFIXLWMICIX-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940472014 700657240 /nfs/dbraw/zinc/65/72/40/700657240.db2.gz GFLHUVFZQJDIKF-IYBDPMFKSA-N 2 1 345.491 1.820 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC000940472076 700657261 /nfs/dbraw/zinc/65/72/61/700657261.db2.gz IMPHYAGLIDOOCK-OKILXGFUSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3C)CC2)oc1C ZINC000940461721 700664978 /nfs/dbraw/zinc/66/49/78/700664978.db2.gz JNFPFZFIZRVXIL-UHFFFAOYSA-N 2 1 345.447 1.967 20 0 EDADMP Cc1noc(CN2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940842353 700938319 /nfs/dbraw/zinc/93/83/19/700938319.db2.gz DRQSVSNQSLMPSS-LSDHHAIUSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1noc(CN2CC[C@@H](NC(=O)[C@@H]3CCCCN3C)C(C)(C)C2)n1 ZINC000940842353 700938320 /nfs/dbraw/zinc/93/83/20/700938320.db2.gz DRQSVSNQSLMPSS-LSDHHAIUSA-N 2 1 349.479 1.579 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865433 700947377 /nfs/dbraw/zinc/94/73/77/700947377.db2.gz YQLHYGDDOXVGQG-HOTGVXAUSA-N 2 1 337.508 1.866 20 0 EDADMP CC1(C)C[N@@H+](C[C@H]2CCOC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000940865459 700947417 /nfs/dbraw/zinc/94/74/17/700947417.db2.gz ZFSMNWKMEPUXLM-SJORKVTESA-N 2 1 349.519 1.868 20 0 EDADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902236 700977096 /nfs/dbraw/zinc/97/70/96/700977096.db2.gz ZTHYAABHKOKQLR-BHEGOAEISA-N 2 1 335.492 1.475 20 0 EDADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902236 700977097 /nfs/dbraw/zinc/97/70/97/700977097.db2.gz ZTHYAABHKOKQLR-BHEGOAEISA-N 2 1 335.492 1.475 20 0 EDADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902236 700977098 /nfs/dbraw/zinc/97/70/98/700977098.db2.gz ZTHYAABHKOKQLR-BHEGOAEISA-N 2 1 335.492 1.475 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941032560 701074257 /nfs/dbraw/zinc/07/42/57/701074257.db2.gz ILQXSZSCBGCNSX-DOTOQJQBSA-N 2 1 348.491 1.617 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941032560 701074259 /nfs/dbraw/zinc/07/42/59/701074259.db2.gz ILQXSZSCBGCNSX-DOTOQJQBSA-N 2 1 348.491 1.617 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2cncn2C)CC1(C)C ZINC000941033713 701076877 /nfs/dbraw/zinc/07/68/77/701076877.db2.gz SNCVTSXKJOREFC-WBVHZDCISA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)CC1(C)C ZINC000941033713 701076879 /nfs/dbraw/zinc/07/68/79/701076879.db2.gz SNCVTSXKJOREFC-WBVHZDCISA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)CC1(C)C ZINC000941033713 701076881 /nfs/dbraw/zinc/07/68/81/701076881.db2.gz SNCVTSXKJOREFC-WBVHZDCISA-N 2 1 347.507 1.621 20 0 EDADMP Cc1nonc1CN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941215786 701402021 /nfs/dbraw/zinc/40/20/21/701402021.db2.gz AYUWDPOGAYWTDJ-UKRRQHHQSA-N 2 1 335.452 1.046 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccns3)CC2(C)C)C1 ZINC000941217610 701404066 /nfs/dbraw/zinc/40/40/66/701404066.db2.gz QPELUQSEDQVTSC-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccns3)CC2(C)C)C1 ZINC000941217610 701404067 /nfs/dbraw/zinc/40/40/67/701404067.db2.gz QPELUQSEDQVTSC-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccns3)CC2(C)C)C1 ZINC000941217610 701404068 /nfs/dbraw/zinc/40/40/68/701404068.db2.gz QPELUQSEDQVTSC-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccns3)CC2(C)C)C1 ZINC000941217610 701404069 /nfs/dbraw/zinc/40/40/69/701404069.db2.gz QPELUQSEDQVTSC-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCCOC2)CC1(C)C ZINC000941224138 701414417 /nfs/dbraw/zinc/41/44/17/701414417.db2.gz REHHEGSGQHTARN-SJORKVTESA-N 2 1 348.491 1.835 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCCOC2)CC1(C)C ZINC000941224138 701414419 /nfs/dbraw/zinc/41/44/19/701414419.db2.gz REHHEGSGQHTARN-SJORKVTESA-N 2 1 348.491 1.835 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941437218 701540363 /nfs/dbraw/zinc/54/03/63/701540363.db2.gz WFXQSVKSTCTSAU-SFHVURJKSA-N 2 1 348.535 1.488 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941437217 701540410 /nfs/dbraw/zinc/54/04/10/701540410.db2.gz WFXQSVKSTCTSAU-GOSISDBHSA-N 2 1 348.535 1.488 20 0 EDADMP CCc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)cc1 ZINC001031976096 701945661 /nfs/dbraw/zinc/94/56/61/701945661.db2.gz FAEJDVQJYVTKQY-DNVCBOLYSA-N 2 1 329.488 1.995 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000999189261 706631336 /nfs/dbraw/zinc/63/13/36/706631336.db2.gz JOJJGTBYQRZCDP-OWCLPIDISA-N 2 1 331.464 1.206 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000999189261 706631339 /nfs/dbraw/zinc/63/13/39/706631339.db2.gz JOJJGTBYQRZCDP-OWCLPIDISA-N 2 1 331.464 1.206 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000995802062 702046259 /nfs/dbraw/zinc/04/62/59/702046259.db2.gz NFFDIMLDSDNRTH-CVEARBPZSA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000995802062 702046265 /nfs/dbraw/zinc/04/62/65/702046265.db2.gz NFFDIMLDSDNRTH-CVEARBPZSA-N 2 1 348.495 1.015 20 0 EDADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]([NH2+]CCF)C(C)(C)C2)n[nH]1 ZINC000995843765 702124908 /nfs/dbraw/zinc/12/49/08/702124908.db2.gz DNVNNHVJUQMYPQ-HUUCEWRRSA-N 2 1 337.443 1.586 20 0 EDADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]([NH2+]CCF)C(C)(C)C2)n[nH]1 ZINC000995843765 702124910 /nfs/dbraw/zinc/12/49/10/702124910.db2.gz DNVNNHVJUQMYPQ-HUUCEWRRSA-N 2 1 337.443 1.586 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCn3cccn3)C2)CC[N@H+]1C ZINC000999199941 706643587 /nfs/dbraw/zinc/64/35/87/706643587.db2.gz ISDDVUPVANCXSE-IXDOHACOSA-N 2 1 333.480 1.194 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995871359 702174988 /nfs/dbraw/zinc/17/49/88/702174988.db2.gz KSVIQZVOLGWCOQ-IAGOWNOFSA-N 2 1 347.507 1.584 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000995898475 702203193 /nfs/dbraw/zinc/20/31/93/702203193.db2.gz UUEREMDECWBFPF-IRXDYDNUSA-N 2 1 347.507 1.440 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000995886870 702223386 /nfs/dbraw/zinc/22/33/86/702223386.db2.gz OJJHBOJQSMDDCS-SJORKVTESA-N 2 1 347.507 1.621 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)no1 ZINC000995920237 702241490 /nfs/dbraw/zinc/24/14/90/702241490.db2.gz UGTQRDRQYFUFGX-MRXNPFEDSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)no1 ZINC000995920237 702241494 /nfs/dbraw/zinc/24/14/94/702241494.db2.gz UGTQRDRQYFUFGX-MRXNPFEDSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)[nH]1 ZINC000995929293 702258690 /nfs/dbraw/zinc/25/86/90/702258690.db2.gz VLMJSOGUEUXJIY-HIFRSBDPSA-N 2 1 336.484 1.026 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995912426 702270580 /nfs/dbraw/zinc/27/05/80/702270580.db2.gz DQIZJUPIUGMBQV-HZPDHXFCSA-N 2 1 334.464 1.876 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995912426 702270585 /nfs/dbraw/zinc/27/05/85/702270585.db2.gz DQIZJUPIUGMBQV-HZPDHXFCSA-N 2 1 334.464 1.876 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cncs3)C2)CC1 ZINC001015929918 702318737 /nfs/dbraw/zinc/31/87/37/702318737.db2.gz FLJZUXFIUIOUNO-HNNXBMFYSA-N 2 1 336.505 1.954 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cncs3)C2)CC1 ZINC001015929918 702318743 /nfs/dbraw/zinc/31/87/43/702318743.db2.gz FLJZUXFIUIOUNO-HNNXBMFYSA-N 2 1 336.505 1.954 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC001015929924 702320215 /nfs/dbraw/zinc/32/02/15/702320215.db2.gz FMXWCJUVWCZDNP-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995193017 702350415 /nfs/dbraw/zinc/35/04/15/702350415.db2.gz CYARHZZFGROWDJ-GDBMZVCRSA-N 2 1 345.422 1.800 20 0 EDADMP CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]Cc1ccon1 ZINC000995971342 702355955 /nfs/dbraw/zinc/35/59/55/702355955.db2.gz WGHLNLHPKKZCCQ-MRXNPFEDSA-N 2 1 346.475 1.877 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944170457 702414317 /nfs/dbraw/zinc/41/43/17/702414317.db2.gz UDTFXTZDYDCWAK-HIFRSBDPSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000996043987 702437161 /nfs/dbraw/zinc/43/71/61/702437161.db2.gz RAQKKSOEFPUUOC-INIZCTEOSA-N 2 1 327.432 1.613 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1)[NH+]1CCCC1 ZINC000996123722 702554046 /nfs/dbraw/zinc/55/40/46/702554046.db2.gz DNPAXKUVNIGYBD-CQSZACIVSA-N 2 1 335.452 1.271 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2(C)C)n1 ZINC000996251176 702652637 /nfs/dbraw/zinc/65/26/37/702652637.db2.gz ZLMMJJFDUNKKGS-DOTOQJQBSA-N 2 1 347.507 1.698 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC000996299810 702690715 /nfs/dbraw/zinc/69/07/15/702690715.db2.gz DOJPSUCEEFVNHX-CJNGLKHVSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)oc1C ZINC000996300804 702692744 /nfs/dbraw/zinc/69/27/44/702692744.db2.gz OQQQKBAWFKSQFR-XJKSGUPXSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)oc1C ZINC000996300804 702692745 /nfs/dbraw/zinc/69/27/45/702692745.db2.gz OQQQKBAWFKSQFR-XJKSGUPXSA-N 2 1 348.491 1.960 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H](NCc2ncccn2)C(C)(C)C1 ZINC000996301472 702693369 /nfs/dbraw/zinc/69/33/69/702693369.db2.gz UDUULIYMWLVKEE-CABCVRRESA-N 2 1 331.464 1.288 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000996301472 702693373 /nfs/dbraw/zinc/69/33/73/702693373.db2.gz UDUULIYMWLVKEE-CABCVRRESA-N 2 1 331.464 1.288 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996302686 702694943 /nfs/dbraw/zinc/69/49/43/702694943.db2.gz YSVQHJLAZCOQSE-WBVHZDCISA-N 2 1 347.507 1.131 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)c(C)o1 ZINC000996517864 702853392 /nfs/dbraw/zinc/85/33/92/702853392.db2.gz BEBXVBHWZSYQLD-INIZCTEOSA-N 2 1 346.475 1.714 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996519688 702855874 /nfs/dbraw/zinc/85/58/74/702855874.db2.gz QFZZUHOQUGXBBN-HOTGVXAUSA-N 2 1 347.507 1.571 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3nnc(C4CC4)o3)CC2)CC[N@@H+]1C ZINC000996606542 702910033 /nfs/dbraw/zinc/91/00/33/702910033.db2.gz JVHFWADMGCCMHL-IUODEOHRSA-N 2 1 347.463 1.368 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3nnc(C4CC4)o3)CC2)CC[N@H+]1C ZINC000996606542 702910034 /nfs/dbraw/zinc/91/00/34/702910034.db2.gz JVHFWADMGCCMHL-IUODEOHRSA-N 2 1 347.463 1.368 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)nc1 ZINC000996610841 702916250 /nfs/dbraw/zinc/91/62/50/702916250.db2.gz KWDJOVPXWQOGBE-GJZGRUSLSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)nc1 ZINC000996610841 702916251 /nfs/dbraw/zinc/91/62/51/702916251.db2.gz KWDJOVPXWQOGBE-GJZGRUSLSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1 ZINC000996616135 702923361 /nfs/dbraw/zinc/92/33/61/702923361.db2.gz AZKWTJGLDZLEBX-MRXNPFEDSA-N 2 1 345.422 1.752 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)C1 ZINC000996617699 702924354 /nfs/dbraw/zinc/92/43/54/702924354.db2.gz VTBFNVGVEKJEPO-CJNGLKHVSA-N 2 1 334.439 1.499 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]C[C@@H]2CCCOC2)C(C)(C)C1 ZINC000996620997 702926661 /nfs/dbraw/zinc/92/66/61/702926661.db2.gz JBGXBKBDOBMYIK-HOTGVXAUSA-N 2 1 334.464 1.445 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)n1 ZINC000996661846 702959109 /nfs/dbraw/zinc/95/91/09/702959109.db2.gz ALFOGERKKJIUOG-OAHLLOKOSA-N 2 1 349.479 1.437 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)n1 ZINC000996661846 702959110 /nfs/dbraw/zinc/95/91/10/702959110.db2.gz ALFOGERKKJIUOG-OAHLLOKOSA-N 2 1 349.479 1.437 20 0 EDADMP C[NH+](C)C1(C(=O)N2CCC([NH2+]Cc3nc(C4CC4)no3)CC2)CCC1 ZINC000996662224 702959737 /nfs/dbraw/zinc/95/97/37/702959737.db2.gz DPIASENHCZLWJH-UHFFFAOYSA-N 2 1 347.463 1.512 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000996723406 703018499 /nfs/dbraw/zinc/01/84/99/703018499.db2.gz MGSVUTBPZPXLDB-IRXDYDNUSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000996727677 703022551 /nfs/dbraw/zinc/02/25/51/703022551.db2.gz IAVOTFTXNIAUSI-QGZVFWFLSA-N 2 1 333.480 1.293 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CCOC2)cc1 ZINC001032684432 706715718 /nfs/dbraw/zinc/71/57/18/706715718.db2.gz QAYYYHLUPSANGX-WDSOQIARSA-N 2 1 343.471 1.683 20 0 EDADMP C[C@@H](O)C[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000996752920 703042353 /nfs/dbraw/zinc/04/23/53/703042353.db2.gz QTSXVVXJZFVNBD-CQSZACIVSA-N 2 1 325.497 1.601 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001032026389 703053403 /nfs/dbraw/zinc/05/34/03/703053403.db2.gz CUTIMHPQBROWLJ-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996799746 703085819 /nfs/dbraw/zinc/08/58/19/703085819.db2.gz XCOOCVAHSBHNFX-UHFFFAOYSA-N 2 1 342.428 1.580 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000942597520 703112467 /nfs/dbraw/zinc/11/24/67/703112467.db2.gz LBXUJHJNEDTASM-KDOFPFPSSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000942598130 703113142 /nfs/dbraw/zinc/11/31/42/703113142.db2.gz RSUKPJPLXURPTA-DYVFJYSZSA-N 2 1 334.464 1.651 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3nnc(C)[nH]3)CC2)C1 ZINC000996904159 703178471 /nfs/dbraw/zinc/17/84/71/703178471.db2.gz NFFCDYRBRKVNDF-HNNXBMFYSA-N 2 1 348.495 1.316 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)o1 ZINC000996922119 703193150 /nfs/dbraw/zinc/19/31/50/703193150.db2.gz MMRSIROCHSVUJU-KBPBESRZSA-N 2 1 349.479 1.443 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC000996922119 703193152 /nfs/dbraw/zinc/19/31/52/703193152.db2.gz MMRSIROCHSVUJU-KBPBESRZSA-N 2 1 349.479 1.443 20 0 EDADMP C[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3nnc(C4CC4)o3)CC2)CC1 ZINC000996945399 703214481 /nfs/dbraw/zinc/21/44/81/703214481.db2.gz ITLFNVGKUVQBDC-UHFFFAOYSA-N 2 1 347.463 1.369 20 0 EDADMP CC(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000996994739 703251478 /nfs/dbraw/zinc/25/14/78/703251478.db2.gz YNPPYLVAQYVDLE-NVXWUHKLSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000996994739 703251479 /nfs/dbraw/zinc/25/14/79/703251479.db2.gz YNPPYLVAQYVDLE-NVXWUHKLSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)n1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)nn1 ZINC000997008393 703266026 /nfs/dbraw/zinc/26/60/26/703266026.db2.gz LVZLHCQYBJULAH-PBHICJAKSA-N 2 1 348.495 1.137 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997009272 703269887 /nfs/dbraw/zinc/26/98/87/703269887.db2.gz ZGEMZNXYCKCLOQ-ZIAGYGMSSA-N 2 1 349.479 1.615 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997009272 703269889 /nfs/dbraw/zinc/26/98/89/703269889.db2.gz ZGEMZNXYCKCLOQ-ZIAGYGMSSA-N 2 1 349.479 1.615 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC000997094264 703333293 /nfs/dbraw/zinc/33/32/93/703333293.db2.gz PDFHQVYSIKRKDM-UHFFFAOYSA-N 2 1 337.508 1.870 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997300505 703544282 /nfs/dbraw/zinc/54/42/82/703544282.db2.gz WJMHFNNZKHBDGZ-OLZOCXBDSA-N 2 1 335.452 1.225 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997300505 703544283 /nfs/dbraw/zinc/54/42/83/703544283.db2.gz WJMHFNNZKHBDGZ-OLZOCXBDSA-N 2 1 335.452 1.225 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc(C)[nH+]1 ZINC001060824286 703551431 /nfs/dbraw/zinc/55/14/31/703551431.db2.gz DPAFVJIUKLJVBX-CABCVRRESA-N 2 1 331.464 1.702 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc(C)[nH+]1 ZINC001060824286 703551433 /nfs/dbraw/zinc/55/14/33/703551433.db2.gz DPAFVJIUKLJVBX-CABCVRRESA-N 2 1 331.464 1.702 20 0 EDADMP CCn1cc(CC[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)cn1 ZINC000997309617 703566846 /nfs/dbraw/zinc/56/68/46/703566846.db2.gz MMTLWEFEAGUKGF-UHFFFAOYSA-N 2 1 344.463 1.231 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000997310213 703567290 /nfs/dbraw/zinc/56/72/90/703567290.db2.gz PCDFMFWGQFOZDO-GDBMZVCRSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000997310286 703567498 /nfs/dbraw/zinc/56/74/98/703567498.db2.gz QKVLWVLTWUQXNM-INIZCTEOSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)oc1C ZINC000997419975 703670175 /nfs/dbraw/zinc/67/01/75/703670175.db2.gz FRDWWBLGLUNWBR-RHSMWYFYSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)oc1C ZINC000997419975 703670177 /nfs/dbraw/zinc/67/01/77/703670177.db2.gz FRDWWBLGLUNWBR-RHSMWYFYSA-N 2 1 348.491 1.960 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(COC)cc1)[NH+](C)C ZINC001032475090 703695239 /nfs/dbraw/zinc/69/52/39/703695239.db2.gz WGEFPZODYRKGJC-GBESFXJTSA-N 2 1 345.487 1.958 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(COC)cc1)[NH+](C)C ZINC001032475090 703695240 /nfs/dbraw/zinc/69/52/40/703695240.db2.gz WGEFPZODYRKGJC-GBESFXJTSA-N 2 1 345.487 1.958 20 0 EDADMP CCn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[NH+]2C)cn1 ZINC001032479846 703716917 /nfs/dbraw/zinc/71/69/17/703716917.db2.gz QPBRWLNJIRTIAX-BZSNNMDCSA-N 2 1 345.491 1.215 20 0 EDADMP CCn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[NH+]2C)cn1 ZINC001032479846 703716919 /nfs/dbraw/zinc/71/69/19/703716919.db2.gz QPBRWLNJIRTIAX-BZSNNMDCSA-N 2 1 345.491 1.215 20 0 EDADMP CCn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[N@@H+]2C)cn1 ZINC001032479846 703716921 /nfs/dbraw/zinc/71/69/21/703716921.db2.gz QPBRWLNJIRTIAX-BZSNNMDCSA-N 2 1 345.491 1.215 20 0 EDADMP CCn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[N@H+]2C)cn1 ZINC001032479846 703716923 /nfs/dbraw/zinc/71/69/23/703716923.db2.gz QPBRWLNJIRTIAX-BZSNNMDCSA-N 2 1 345.491 1.215 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000997611947 703909197 /nfs/dbraw/zinc/90/91/97/703909197.db2.gz IJUNATYNDFEMEW-IUODEOHRSA-N 2 1 335.452 1.361 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000997611417 703911138 /nfs/dbraw/zinc/91/11/38/703911138.db2.gz FLPAWRFZBLGMJG-LJQANCHMSA-N 2 1 345.487 1.601 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)cn1 ZINC000995549264 703932274 /nfs/dbraw/zinc/93/22/74/703932274.db2.gz BVERDNRSPOMPBP-JKSUJKDBSA-N 2 1 346.475 1.511 20 0 EDADMP CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995550997 703955507 /nfs/dbraw/zinc/95/55/07/703955507.db2.gz LKPGNJPSVBHJEP-DLBZAZTESA-N 2 1 347.507 1.885 20 0 EDADMP CCCn1ncnc1CN[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995554379 703969139 /nfs/dbraw/zinc/96/91/39/703969139.db2.gz WTROBKGRKTUKKS-GJZGRUSLSA-N 2 1 348.495 1.109 20 0 EDADMP CCCn1ncnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995554379 703969142 /nfs/dbraw/zinc/96/91/42/703969142.db2.gz WTROBKGRKTUKKS-GJZGRUSLSA-N 2 1 348.495 1.109 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033081943 704138187 /nfs/dbraw/zinc/13/81/87/704138187.db2.gz LTDOAZCNXDAJBO-SJLPKXTDSA-N 2 1 337.508 1.961 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033081943 704138188 /nfs/dbraw/zinc/13/81/88/704138188.db2.gz LTDOAZCNXDAJBO-SJLPKXTDSA-N 2 1 337.508 1.961 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033081943 704138192 /nfs/dbraw/zinc/13/81/92/704138192.db2.gz LTDOAZCNXDAJBO-SJLPKXTDSA-N 2 1 337.508 1.961 20 0 EDADMP CC[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084714 704154944 /nfs/dbraw/zinc/15/49/44/704154944.db2.gz KKANFESLCSOYLT-JKSUJKDBSA-N 2 1 335.496 1.637 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnoc2C)C1 ZINC000999301864 706805347 /nfs/dbraw/zinc/80/53/47/706805347.db2.gz DFHDUPUQTIYIKM-SJORKVTESA-N 2 1 334.464 1.938 20 0 EDADMP O=C(Cc1cn2c(n1)CCCC2)N1CC[C@H]2C[N@@H+](CCF)C[C@H]2CC1 ZINC000946597943 704309195 /nfs/dbraw/zinc/30/91/95/704309195.db2.gz RINVEPIOMCTMTA-IYBDPMFKSA-N 2 1 348.466 1.902 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2Cc2cnon2)CC1 ZINC001004367587 704334858 /nfs/dbraw/zinc/33/48/58/704334858.db2.gz DXXFASOXBNTZRY-SJORKVTESA-N 2 1 347.463 1.367 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2Cc2cnon2)CC1 ZINC001004367587 704334860 /nfs/dbraw/zinc/33/48/60/704334860.db2.gz DXXFASOXBNTZRY-SJORKVTESA-N 2 1 347.463 1.367 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2Cc2cnon2)CC1 ZINC001004367587 704334861 /nfs/dbraw/zinc/33/48/61/704334861.db2.gz DXXFASOXBNTZRY-SJORKVTESA-N 2 1 347.463 1.367 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000999306733 706811968 /nfs/dbraw/zinc/81/19/68/706811968.db2.gz LPNXFBOGUDKCFQ-DOTOQJQBSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000999306733 706811972 /nfs/dbraw/zinc/81/19/72/706811972.db2.gz LPNXFBOGUDKCFQ-DOTOQJQBSA-N 2 1 348.495 1.253 20 0 EDADMP O=C(NCc1ccc2c[nH+]cn2c1)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000922835680 704401331 /nfs/dbraw/zinc/40/13/31/704401331.db2.gz ZAESRKQFIUZESH-KRWDZBQOSA-N 2 1 343.431 1.387 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC3CCCCC3)C(C)(C)C2)C1 ZINC000995596393 704563628 /nfs/dbraw/zinc/56/36/28/704563628.db2.gz HERXELZRJIVNPH-DLBZAZTESA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC3CCCCC3)C(C)(C)C2)C1 ZINC000995596393 704563630 /nfs/dbraw/zinc/56/36/30/704563630.db2.gz HERXELZRJIVNPH-DLBZAZTESA-N 2 1 337.508 1.724 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cc3)C(C)(C)C2)C1 ZINC000995608079 704571399 /nfs/dbraw/zinc/57/13/99/704571399.db2.gz TXDOOZIVFQZKRL-IAGOWNOFSA-N 2 1 349.450 1.483 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cc3)C(C)(C)C2)C1 ZINC000995608079 704571402 /nfs/dbraw/zinc/57/14/02/704571402.db2.gz TXDOOZIVFQZKRL-IAGOWNOFSA-N 2 1 349.450 1.483 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997722511 704612757 /nfs/dbraw/zinc/61/27/57/704612757.db2.gz IXVVGTSGRRXIBI-ZOBUZTSGSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nccn2C)CC1 ZINC000997774855 704680445 /nfs/dbraw/zinc/68/04/45/704680445.db2.gz HSEMWGJTOYQRCV-KRWDZBQOSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3nccs3)CC2)CC[N@H+]1C ZINC000997784349 704688160 /nfs/dbraw/zinc/68/81/60/704688160.db2.gz DHZDDGWABDLGSZ-UKRRQHHQSA-N 2 1 336.505 1.812 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1)[NH+]1CCCC1 ZINC001032557896 704735492 /nfs/dbraw/zinc/73/54/92/704735492.db2.gz VLTUZEZVMODQQM-IRXDYDNUSA-N 2 1 335.492 1.573 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1)C1CCC1 ZINC000997831603 704749764 /nfs/dbraw/zinc/74/97/64/704749764.db2.gz VUXDUKJAIVXHLD-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP Cn1ncc(C[NH2+]CC2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000997840662 704757047 /nfs/dbraw/zinc/75/70/47/704757047.db2.gz PXTLBLCGYUNMGJ-KRWDZBQOSA-N 2 1 348.495 1.018 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997860029 704768867 /nfs/dbraw/zinc/76/88/67/704768867.db2.gz COEDSMURVQLJST-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997860029 704768869 /nfs/dbraw/zinc/76/88/69/704768869.db2.gz COEDSMURVQLJST-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918949 704770286 /nfs/dbraw/zinc/77/02/86/704770286.db2.gz LQUPCFPCUXBDEO-HIFRSBDPSA-N 2 1 329.435 1.954 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nc1 ZINC000997864826 704771702 /nfs/dbraw/zinc/77/17/02/704771702.db2.gz AQHGMHOGRRVZRU-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nc1 ZINC000997864826 704771706 /nfs/dbraw/zinc/77/17/06/704771706.db2.gz AQHGMHOGRRVZRU-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CC[NH+](CCCF)CC2)C1 ZINC000997871353 704777500 /nfs/dbraw/zinc/77/75/00/704777500.db2.gz OPMWBXSEEHNPRL-HOCLYGCPSA-N 2 1 329.460 1.283 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CC[NH+](CCCF)CC2)C1 ZINC000997871353 704777502 /nfs/dbraw/zinc/77/75/02/704777502.db2.gz OPMWBXSEEHNPRL-HOCLYGCPSA-N 2 1 329.460 1.283 20 0 EDADMP C[C@@H]1C[N@@H+](CCOc2ccccc2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943662 704796397 /nfs/dbraw/zinc/79/63/97/704796397.db2.gz JIAPUBXOUAHIIW-IEBWSBKVSA-N 2 1 345.487 1.988 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3ccnc3C)[C@H](C)C2)sn1 ZINC000944944279 704796989 /nfs/dbraw/zinc/79/69/89/704796989.db2.gz LWANLHKDPSJZFJ-WBMJQRKESA-N 2 1 347.488 1.983 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)sn1 ZINC000944944279 704796991 /nfs/dbraw/zinc/79/69/91/704796991.db2.gz LWANLHKDPSJZFJ-WBMJQRKESA-N 2 1 347.488 1.983 20 0 EDADMP Cc1nccn1CC(=O)N[C@H]1CC[N@H+](Cc2cncc(C)c2)C[C@@H]1C ZINC000944966424 704838465 /nfs/dbraw/zinc/83/84/65/704838465.db2.gz ZNTIAMXMOREGOJ-YJBOKZPZSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cncc(C)c2)C[C@@H]1C ZINC000944966424 704838474 /nfs/dbraw/zinc/83/84/74/704838474.db2.gz ZNTIAMXMOREGOJ-YJBOKZPZSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000997916410 704982298 /nfs/dbraw/zinc/98/22/98/704982298.db2.gz TVFFLLZFTVONSQ-UHFFFAOYSA-N 2 1 327.432 1.615 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCC2)C1 ZINC001032587012 705106871 /nfs/dbraw/zinc/10/68/71/705106871.db2.gz GUPOJFXSYABARI-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCC2)C1 ZINC001032587012 705106876 /nfs/dbraw/zinc/10/68/76/705106876.db2.gz GUPOJFXSYABARI-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCC2)C1 ZINC001032587012 705106879 /nfs/dbraw/zinc/10/68/79/705106879.db2.gz GUPOJFXSYABARI-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCC2)C1 ZINC001032587012 705106883 /nfs/dbraw/zinc/10/68/83/705106883.db2.gz GUPOJFXSYABARI-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000998076667 705296451 /nfs/dbraw/zinc/29/64/51/705296451.db2.gz BZAUASLZLWWXQZ-YJBOKZPZSA-N 2 1 337.508 1.439 20 0 EDADMP CCc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)no1 ZINC000998080514 705306026 /nfs/dbraw/zinc/30/60/26/705306026.db2.gz BTZQQDBMAMKAJV-ZFWWWQNUSA-N 2 1 349.479 1.158 20 0 EDADMP CCc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)no1 ZINC000998080514 705306030 /nfs/dbraw/zinc/30/60/30/705306030.db2.gz BTZQQDBMAMKAJV-ZFWWWQNUSA-N 2 1 349.479 1.158 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000998082074 705308786 /nfs/dbraw/zinc/30/87/86/705308786.db2.gz NNHQOZQBZLFGDJ-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000998083137 705311693 /nfs/dbraw/zinc/31/16/93/705311693.db2.gz VNOASFTZZHNEHR-NVXWUHKLSA-N 2 1 347.507 1.429 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000998083642 705313279 /nfs/dbraw/zinc/31/32/79/705313279.db2.gz XEYOTGFHLLLLRS-OAHLLOKOSA-N 2 1 331.464 1.289 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C[C@@H](C)O)CC1 ZINC000998113317 705363558 /nfs/dbraw/zinc/36/35/58/705363558.db2.gz YKYCKCFSSPPFMO-NVXWUHKLSA-N 2 1 325.497 1.412 20 0 EDADMP CCc1nc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000998217150 705539530 /nfs/dbraw/zinc/53/95/30/705539530.db2.gz LGKMDWIUIKHROY-OAHLLOKOSA-N 2 1 349.479 1.302 20 0 EDADMP CCc1nc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000998217150 705539535 /nfs/dbraw/zinc/53/95/35/705539535.db2.gz LGKMDWIUIKHROY-OAHLLOKOSA-N 2 1 349.479 1.302 20 0 EDADMP CC(C)Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000998548315 705983678 /nfs/dbraw/zinc/98/36/78/705983678.db2.gz GFDZVBCSCKWWDI-YMAMQOFZSA-N 2 1 349.479 1.441 20 0 EDADMP CC(C)Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000998548315 705983682 /nfs/dbraw/zinc/98/36/82/705983682.db2.gz GFDZVBCSCKWWDI-YMAMQOFZSA-N 2 1 349.479 1.441 20 0 EDADMP CC(C)c1ocnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998549030 705985045 /nfs/dbraw/zinc/98/50/45/705985045.db2.gz JVQCXVAUYGZGPY-ZBCRRDGASA-N 2 1 334.464 1.971 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC(NCc2nc(C(C)(C)C)no2)C1 ZINC000998549180 705985235 /nfs/dbraw/zinc/98/52/35/705985235.db2.gz KQTPFDBQKMZQAY-JXQTWKCFSA-N 2 1 349.479 1.540 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC000998549180 705985242 /nfs/dbraw/zinc/98/52/42/705985242.db2.gz KQTPFDBQKMZQAY-JXQTWKCFSA-N 2 1 349.479 1.540 20 0 EDADMP COc1ccc(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000998728035 706158321 /nfs/dbraw/zinc/15/83/21/706158321.db2.gz BCMIWDMASAWNTE-IEBWSBKVSA-N 2 1 345.487 1.913 20 0 EDADMP CC(C)c1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC000998730721 706163397 /nfs/dbraw/zinc/16/33/97/706163397.db2.gz KSQMDWUZBOIRRU-CABCVRRESA-N 2 1 334.464 1.973 20 0 EDADMP CC(C)c1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000998730721 706163398 /nfs/dbraw/zinc/16/33/98/706163398.db2.gz KSQMDWUZBOIRRU-CABCVRRESA-N 2 1 334.464 1.973 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)co1 ZINC000998780529 706221567 /nfs/dbraw/zinc/22/15/67/706221567.db2.gz OBKWANNJMNIVHT-PREGVCBESA-N 2 1 332.448 1.404 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998796457 706243627 /nfs/dbraw/zinc/24/36/27/706243627.db2.gz ODAQEFMDVMMTEH-TWRYWWQQSA-N 2 1 348.495 1.026 20 0 EDADMP CCc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC000998796442 706243662 /nfs/dbraw/zinc/24/36/62/706243662.db2.gz NXJOMLNCFVLXCK-UWLZSVRSSA-N 2 1 334.464 1.656 20 0 EDADMP CCc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC000998796442 706243664 /nfs/dbraw/zinc/24/36/64/706243664.db2.gz NXJOMLNCFVLXCK-UWLZSVRSSA-N 2 1 334.464 1.656 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(F)c3)C2)C1 ZINC000998829068 706259429 /nfs/dbraw/zinc/25/94/29/706259429.db2.gz UTXAGVRAWSIZPP-IAGOWNOFSA-N 2 1 335.423 1.237 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(F)c3)C2)C1 ZINC000998829068 706259432 /nfs/dbraw/zinc/25/94/32/706259432.db2.gz UTXAGVRAWSIZPP-IAGOWNOFSA-N 2 1 335.423 1.237 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1C ZINC000998825848 706272723 /nfs/dbraw/zinc/27/27/23/706272723.db2.gz NHKBTWIKEQWQSI-MOPGFXCFSA-N 2 1 345.487 1.715 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1C ZINC000998825848 706272724 /nfs/dbraw/zinc/27/27/24/706272724.db2.gz NHKBTWIKEQWQSI-MOPGFXCFSA-N 2 1 345.487 1.715 20 0 EDADMP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)C1CC([NH2+]Cc2ccns2)C1 ZINC000998899208 706326910 /nfs/dbraw/zinc/32/69/10/706326910.db2.gz CNQIXKAERATXSE-SSDMNJCBSA-N 2 1 345.472 1.996 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000999834804 707467997 /nfs/dbraw/zinc/46/79/97/707467997.db2.gz WLQOJIPPHIDMAG-UHFFFAOYSA-N 2 1 331.420 1.576 20 0 EDADMP CN(C(=O)[C@H]1CCn2cncc2C1)C1CC([NH2+]Cc2ccon2)C1 ZINC000999003073 706442262 /nfs/dbraw/zinc/44/22/62/706442262.db2.gz CXJZQSMMXMIGJL-GRTSSRMGSA-N 2 1 329.404 1.213 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cncs3)C[C@H]2CC1 ZINC000946517583 706531514 /nfs/dbraw/zinc/53/15/14/706531514.db2.gz JCGVMIJMNCCUBY-HLLBOEOZSA-N 2 1 348.516 1.908 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cncs3)C[C@H]2CC1 ZINC000946517583 706531517 /nfs/dbraw/zinc/53/15/17/706531517.db2.gz JCGVMIJMNCCUBY-HLLBOEOZSA-N 2 1 348.516 1.908 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cncs3)C[C@H]2CC1 ZINC000946517583 706531518 /nfs/dbraw/zinc/53/15/18/706531518.db2.gz JCGVMIJMNCCUBY-HLLBOEOZSA-N 2 1 348.516 1.908 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC([NH2+]CC2CCC2)C1 ZINC000999143888 706557680 /nfs/dbraw/zinc/55/76/80/706557680.db2.gz RASNTTLZFJYIPA-YMVOSSCXSA-N 2 1 333.476 1.229 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999146005 706559475 /nfs/dbraw/zinc/55/94/75/706559475.db2.gz TZUJKICQVBSDLC-JKSUJKDBSA-N 2 1 334.464 1.936 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999351606 706864417 /nfs/dbraw/zinc/86/44/17/706864417.db2.gz FBDRXUKBGLAOQN-QZTJIDSGSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999366017 706879669 /nfs/dbraw/zinc/87/96/69/706879669.db2.gz SNRSZQZDMFLWQT-HNNXBMFYSA-N 2 1 334.464 1.856 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1)C1CCC1 ZINC000999372573 706886879 /nfs/dbraw/zinc/88/68/79/706886879.db2.gz CIQSKNIGFFTXLU-AWEZNQCLSA-N 2 1 336.505 1.751 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000999403984 706912659 /nfs/dbraw/zinc/91/26/59/706912659.db2.gz YLFHMYIKFKVMIE-KGLIPLIRSA-N 2 1 337.493 1.493 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)oc1C ZINC000999404316 706913180 /nfs/dbraw/zinc/91/31/80/706913180.db2.gz CCADYYMHSKRLQR-JQRITLKVSA-N 2 1 334.464 1.855 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)oc1C ZINC000999404316 706913182 /nfs/dbraw/zinc/91/31/82/706913182.db2.gz CCADYYMHSKRLQR-JQRITLKVSA-N 2 1 334.464 1.855 20 0 EDADMP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC000999405184 706914426 /nfs/dbraw/zinc/91/44/26/706914426.db2.gz CMAYQVLZTOCLAB-IGEOTXOUSA-N 2 1 331.464 1.348 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccon2)C1 ZINC000999576137 707082792 /nfs/dbraw/zinc/08/27/92/707082792.db2.gz TUMIAGQMAXMNPH-DLBZAZTESA-N 2 1 334.464 1.876 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccon2)C1 ZINC000999576137 707082795 /nfs/dbraw/zinc/08/27/95/707082795.db2.gz TUMIAGQMAXMNPH-DLBZAZTESA-N 2 1 334.464 1.876 20 0 EDADMP CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690363 707122197 /nfs/dbraw/zinc/12/21/97/707122197.db2.gz OCLVUDNHUSWRAB-VVJOJPPRSA-N 2 1 347.503 1.430 20 0 EDADMP CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690363 707122200 /nfs/dbraw/zinc/12/22/00/707122200.db2.gz OCLVUDNHUSWRAB-VVJOJPPRSA-N 2 1 347.503 1.430 20 0 EDADMP CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690363 707122203 /nfs/dbraw/zinc/12/22/03/707122203.db2.gz OCLVUDNHUSWRAB-VVJOJPPRSA-N 2 1 347.503 1.430 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC000999682151 707167154 /nfs/dbraw/zinc/16/71/54/707167154.db2.gz LOYGAKNNRZCNKG-KLAILNCOSA-N 2 1 346.475 1.511 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC000999687756 707241804 /nfs/dbraw/zinc/24/18/04/707241804.db2.gz JBQDISRXDFHHJP-LRVUVFPRSA-N 2 1 346.479 1.103 20 0 EDADMP CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779624 707244457 /nfs/dbraw/zinc/24/44/57/707244457.db2.gz QWDXDXJCFOIDOY-TVFCKZIOSA-N 2 1 337.508 1.676 20 0 EDADMP CO[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779624 707244461 /nfs/dbraw/zinc/24/44/61/707244461.db2.gz QWDXDXJCFOIDOY-TVFCKZIOSA-N 2 1 337.508 1.676 20 0 EDADMP CO[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779624 707244466 /nfs/dbraw/zinc/24/44/66/707244466.db2.gz QWDXDXJCFOIDOY-TVFCKZIOSA-N 2 1 337.508 1.676 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999689298 707244698 /nfs/dbraw/zinc/24/46/98/707244698.db2.gz RFHJAGDDXWKCHO-IUDNXUCKSA-N 2 1 346.475 1.973 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC000999727816 707270024 /nfs/dbraw/zinc/27/00/24/707270024.db2.gz QZNIJQQAWRHAFQ-MRXNPFEDSA-N 2 1 328.420 1.071 20 0 EDADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000999763696 707318311 /nfs/dbraw/zinc/31/83/11/707318311.db2.gz IBRHDKCSOZEHPF-ISXWCOSWSA-N 2 1 333.476 1.230 20 0 EDADMP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033296616 707407095 /nfs/dbraw/zinc/40/70/95/707407095.db2.gz WPBSKPTXKMSUAD-IEBWSBKVSA-N 2 1 349.519 1.963 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(C)c3)C2)C1 ZINC000999860462 707437595 /nfs/dbraw/zinc/43/75/95/707437595.db2.gz ASEPFXPARVAMDU-ACBHZAAOSA-N 2 1 345.487 1.795 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(C)c3)C2)C1 ZINC000999860462 707437598 /nfs/dbraw/zinc/43/75/98/707437598.db2.gz ASEPFXPARVAMDU-ACBHZAAOSA-N 2 1 345.487 1.795 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2csc(Cl)n2)C1 ZINC000999828975 707457721 /nfs/dbraw/zinc/45/77/21/707457721.db2.gz HWYGTICMTLWLSA-XSRFYTQQSA-N 2 1 342.896 1.827 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2csc(Cl)n2)C1 ZINC000999828975 707457724 /nfs/dbraw/zinc/45/77/24/707457724.db2.gz HWYGTICMTLWLSA-XSRFYTQQSA-N 2 1 342.896 1.827 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999876845 707524765 /nfs/dbraw/zinc/52/47/65/707524765.db2.gz UMBKPJKFMJFNMD-VMBOVVBDSA-N 2 1 333.480 1.374 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cncn3C)C2)C1 ZINC000999973399 707586239 /nfs/dbraw/zinc/58/62/39/707586239.db2.gz KMCUTGULZLMYAG-SJORKVTESA-N 2 1 347.507 1.623 20 0 EDADMP CCCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960665 707624157 /nfs/dbraw/zinc/62/41/57/707624157.db2.gz DRHOXDCNUSTTMN-HOTGVXAUSA-N 2 1 334.468 1.035 20 0 EDADMP CCCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999960665 707624159 /nfs/dbraw/zinc/62/41/59/707624159.db2.gz DRHOXDCNUSTTMN-HOTGVXAUSA-N 2 1 334.468 1.035 20 0 EDADMP CCCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC000999960665 707624160 /nfs/dbraw/zinc/62/41/60/707624160.db2.gz DRHOXDCNUSTTMN-HOTGVXAUSA-N 2 1 334.468 1.035 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995099 707673540 /nfs/dbraw/zinc/67/35/40/707673540.db2.gz CXOMYSVNIJHAQI-IRXDYDNUSA-N 2 1 348.495 1.281 20 0 EDADMP CC(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999995099 707673541 /nfs/dbraw/zinc/67/35/41/707673541.db2.gz CXOMYSVNIJHAQI-IRXDYDNUSA-N 2 1 348.495 1.281 20 0 EDADMP CC(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C)nn2)C1 ZINC000999995099 707673543 /nfs/dbraw/zinc/67/35/43/707673543.db2.gz CXOMYSVNIJHAQI-IRXDYDNUSA-N 2 1 348.495 1.281 20 0 EDADMP CCc1nocc1CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033360329 707687857 /nfs/dbraw/zinc/68/78/57/707687857.db2.gz HTZMHTCDAWEUFZ-YQQAZPJKSA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033360329 707687861 /nfs/dbraw/zinc/68/78/61/707687861.db2.gz HTZMHTCDAWEUFZ-YQQAZPJKSA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033360329 707687863 /nfs/dbraw/zinc/68/78/63/707687863.db2.gz HTZMHTCDAWEUFZ-YQQAZPJKSA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033360329 707687866 /nfs/dbraw/zinc/68/78/66/707687866.db2.gz HTZMHTCDAWEUFZ-YQQAZPJKSA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033360329 707687868 /nfs/dbraw/zinc/68/78/68/707687868.db2.gz HTZMHTCDAWEUFZ-YQQAZPJKSA-N 2 1 348.491 2.000 20 0 EDADMP CCc1onc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033418849 707803997 /nfs/dbraw/zinc/80/39/97/707803997.db2.gz DTZAMFGFICRYDX-ZBFHGGJFSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033418849 707803998 /nfs/dbraw/zinc/80/39/98/707803998.db2.gz DTZAMFGFICRYDX-ZBFHGGJFSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033418849 707803999 /nfs/dbraw/zinc/80/39/99/707803999.db2.gz DTZAMFGFICRYDX-ZBFHGGJFSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033418849 707804000 /nfs/dbraw/zinc/80/40/00/707804000.db2.gz DTZAMFGFICRYDX-ZBFHGGJFSA-N 2 1 348.491 1.920 20 0 EDADMP Cc1nnc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001004977291 707812737 /nfs/dbraw/zinc/81/27/37/707812737.db2.gz IMWFXKREAJTWOJ-HIFRSBDPSA-N 2 1 346.479 1.068 20 0 EDADMP Cc1noc(CCC[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001033420356 707830531 /nfs/dbraw/zinc/83/05/31/707830531.db2.gz OFSNXSXSJRYXKT-HOCLYGCPSA-N 2 1 349.479 1.185 20 0 EDADMP Cc1noc(CCC[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)n1 ZINC001033420356 707830537 /nfs/dbraw/zinc/83/05/37/707830537.db2.gz OFSNXSXSJRYXKT-HOCLYGCPSA-N 2 1 349.479 1.185 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)n1 ZINC001033420356 707830539 /nfs/dbraw/zinc/83/05/39/707830539.db2.gz OFSNXSXSJRYXKT-HOCLYGCPSA-N 2 1 349.479 1.185 20 0 EDADMP COCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033424473 707842051 /nfs/dbraw/zinc/84/20/51/707842051.db2.gz ZJMJIUPKUOGVDD-AWEZNQCLSA-N 2 1 336.436 1.063 20 0 EDADMP COCC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033424473 707842052 /nfs/dbraw/zinc/84/20/52/707842052.db2.gz ZJMJIUPKUOGVDD-AWEZNQCLSA-N 2 1 336.436 1.063 20 0 EDADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038537376 707849898 /nfs/dbraw/zinc/84/98/98/707849898.db2.gz QVQWVLQLOCXDTQ-DHADLLTHSA-N 2 1 335.492 1.476 20 0 EDADMP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)co1 ZINC001004981098 707858786 /nfs/dbraw/zinc/85/87/86/707858786.db2.gz LVWZXSFDHQZQLQ-YOEHRIQHSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001004992306 707873071 /nfs/dbraw/zinc/87/30/71/707873071.db2.gz NXVKGAHCVKCVMA-PBHICJAKSA-N 2 1 344.463 1.484 20 0 EDADMP Cc1conc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004994883 707881671 /nfs/dbraw/zinc/88/16/71/707881671.db2.gz WUWOFSUIFOVIRG-RDJZCZTQSA-N 2 1 334.464 1.938 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001033467507 707926069 /nfs/dbraw/zinc/92/60/69/707926069.db2.gz QHXSNQNBSRFKDM-DLBZAZTESA-N 2 1 348.491 1.966 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001033467507 707926075 /nfs/dbraw/zinc/92/60/75/707926075.db2.gz QHXSNQNBSRFKDM-DLBZAZTESA-N 2 1 348.491 1.966 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccc(F)c(F)c2)C1 ZINC001032782207 707972069 /nfs/dbraw/zinc/97/20/69/707972069.db2.gz YBMPRSUHRZGOBB-PMPSAXMXSA-N 2 1 349.425 1.744 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccc(F)c(F)c2)C1 ZINC001032782207 707972073 /nfs/dbraw/zinc/97/20/73/707972073.db2.gz YBMPRSUHRZGOBB-PMPSAXMXSA-N 2 1 349.425 1.744 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccc(F)c(F)c2)C1 ZINC001032782207 707972077 /nfs/dbraw/zinc/97/20/77/707972077.db2.gz YBMPRSUHRZGOBB-PMPSAXMXSA-N 2 1 349.425 1.744 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccc(F)c(F)c2)C1 ZINC001032782207 707972078 /nfs/dbraw/zinc/97/20/78/707972078.db2.gz YBMPRSUHRZGOBB-PMPSAXMXSA-N 2 1 349.425 1.744 20 0 EDADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033507985 707979036 /nfs/dbraw/zinc/97/90/36/707979036.db2.gz IBBZXZGXNCMCAW-DLBZAZTESA-N 2 1 346.475 1.158 20 0 EDADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033507985 707979039 /nfs/dbraw/zinc/97/90/39/707979039.db2.gz IBBZXZGXNCMCAW-DLBZAZTESA-N 2 1 346.475 1.158 20 0 EDADMP CCOC1CC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2C)C1 ZINC001032784362 707984612 /nfs/dbraw/zinc/98/46/12/707984612.db2.gz UCNDTPZZJSOJRZ-YZUHTNEWSA-N 2 1 332.448 1.292 20 0 EDADMP CCOC1CC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2C)C1 ZINC001032784362 707984617 /nfs/dbraw/zinc/98/46/17/707984617.db2.gz UCNDTPZZJSOJRZ-YZUHTNEWSA-N 2 1 332.448 1.292 20 0 EDADMP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001005184558 708111179 /nfs/dbraw/zinc/11/11/79/708111179.db2.gz NYIZLYYTOZQNDB-KRWDZBQOSA-N 2 1 331.464 1.302 20 0 EDADMP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC001005184558 708111181 /nfs/dbraw/zinc/11/11/81/708111181.db2.gz NYIZLYYTOZQNDB-KRWDZBQOSA-N 2 1 331.464 1.302 20 0 EDADMP O=C(NCC1CC[NH+](C/C=C\Cl)CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001001424603 708146586 /nfs/dbraw/zinc/14/65/86/708146586.db2.gz JBNJTCVNSXJBQZ-XRDZWUHTSA-N 2 1 341.883 1.430 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001033578187 708254699 /nfs/dbraw/zinc/25/46/99/708254699.db2.gz GWCSGRBKOHQFGM-HOCLYGCPSA-N 2 1 343.431 1.449 20 0 EDADMP COc1ccnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033580467 708260946 /nfs/dbraw/zinc/26/09/46/708260946.db2.gz FEPAFZWCOAZBGJ-NVXWUHKLSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccnc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033580467 708260949 /nfs/dbraw/zinc/26/09/49/708260949.db2.gz FEPAFZWCOAZBGJ-NVXWUHKLSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001033580467 708260951 /nfs/dbraw/zinc/26/09/51/708260951.db2.gz FEPAFZWCOAZBGJ-NVXWUHKLSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033580467 708260954 /nfs/dbraw/zinc/26/09/54/708260954.db2.gz FEPAFZWCOAZBGJ-NVXWUHKLSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033580466 708261250 /nfs/dbraw/zinc/26/12/50/708261250.db2.gz FEPAFZWCOAZBGJ-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccnc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033580466 708261253 /nfs/dbraw/zinc/26/12/53/708261253.db2.gz FEPAFZWCOAZBGJ-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001033580466 708261254 /nfs/dbraw/zinc/26/12/54/708261254.db2.gz FEPAFZWCOAZBGJ-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033580466 708261257 /nfs/dbraw/zinc/26/12/57/708261257.db2.gz FEPAFZWCOAZBGJ-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033586251 708276772 /nfs/dbraw/zinc/27/67/72/708276772.db2.gz TUMJJBVVYWYHJJ-INIZCTEOSA-N 2 1 346.475 1.721 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033586251 708276774 /nfs/dbraw/zinc/27/67/74/708276774.db2.gz TUMJJBVVYWYHJJ-INIZCTEOSA-N 2 1 346.475 1.721 20 0 EDADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033594548 708296881 /nfs/dbraw/zinc/29/68/81/708296881.db2.gz NNRBGICGCGKNGS-GJZGRUSLSA-N 2 1 336.505 1.560 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCc2ccns2)C1 ZINC001033594548 708296884 /nfs/dbraw/zinc/29/68/84/708296884.db2.gz NNRBGICGCGKNGS-GJZGRUSLSA-N 2 1 336.505 1.560 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCc2ccns2)C1 ZINC001033594548 708296886 /nfs/dbraw/zinc/29/68/86/708296886.db2.gz NNRBGICGCGKNGS-GJZGRUSLSA-N 2 1 336.505 1.560 20 0 EDADMP Cc1oncc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001835026 708361497 /nfs/dbraw/zinc/36/14/97/708361497.db2.gz UNSMAJBNNQYCTG-GUYCJALGSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)sc1C ZINC001033658677 708424207 /nfs/dbraw/zinc/42/42/07/708424207.db2.gz BGPVUSGLCXLXTH-CABCVRRESA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)sc1C ZINC001033658677 708424210 /nfs/dbraw/zinc/42/42/10/708424210.db2.gz BGPVUSGLCXLXTH-CABCVRRESA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)sc1C ZINC001033658677 708424213 /nfs/dbraw/zinc/42/42/13/708424213.db2.gz BGPVUSGLCXLXTH-CABCVRRESA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)sc1C ZINC001033658677 708424216 /nfs/dbraw/zinc/42/42/16/708424216.db2.gz BGPVUSGLCXLXTH-CABCVRRESA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033663646 708444164 /nfs/dbraw/zinc/44/41/64/708444164.db2.gz WXWPORFSDBTTBA-AEFFLSMTSA-N 2 1 347.507 1.757 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033663646 708444167 /nfs/dbraw/zinc/44/41/67/708444167.db2.gz WXWPORFSDBTTBA-AEFFLSMTSA-N 2 1 347.507 1.757 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033663646 708444170 /nfs/dbraw/zinc/44/41/70/708444170.db2.gz WXWPORFSDBTTBA-AEFFLSMTSA-N 2 1 347.507 1.757 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033663646 708444172 /nfs/dbraw/zinc/44/41/72/708444172.db2.gz WXWPORFSDBTTBA-AEFFLSMTSA-N 2 1 347.507 1.757 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001033667044 708453422 /nfs/dbraw/zinc/45/34/22/708453422.db2.gz CVJUJXPZOPNNHE-SJORKVTESA-N 2 1 334.464 1.541 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001033667044 708453426 /nfs/dbraw/zinc/45/34/26/708453426.db2.gz CVJUJXPZOPNNHE-SJORKVTESA-N 2 1 334.464 1.541 20 0 EDADMP COc1ccc(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001033661919 708476049 /nfs/dbraw/zinc/47/60/49/708476049.db2.gz NLACLIRKNORVGJ-QZTJIDSGSA-N 2 1 345.487 1.722 20 0 EDADMP COc1ccc(CC[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033661919 708476053 /nfs/dbraw/zinc/47/60/53/708476053.db2.gz NLACLIRKNORVGJ-QZTJIDSGSA-N 2 1 345.487 1.722 20 0 EDADMP COc1ccc(CC[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033661919 708476057 /nfs/dbraw/zinc/47/60/57/708476057.db2.gz NLACLIRKNORVGJ-QZTJIDSGSA-N 2 1 345.487 1.722 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033687216 708503228 /nfs/dbraw/zinc/50/32/28/708503228.db2.gz ZSAYHGYWNKOSFD-RDJZCZTQSA-N 2 1 333.476 1.929 20 0 EDADMP Cc1ccnc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001002120248 708634027 /nfs/dbraw/zinc/63/40/27/708634027.db2.gz ISNUTKJCVYGAMI-INIZCTEOSA-N 2 1 331.464 1.065 20 0 EDADMP Cc1ccnc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001002120248 708634030 /nfs/dbraw/zinc/63/40/30/708634030.db2.gz ISNUTKJCVYGAMI-INIZCTEOSA-N 2 1 331.464 1.065 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](C)COC)CC1 ZINC001002156021 708670864 /nfs/dbraw/zinc/67/08/64/708670864.db2.gz FJLVRBCOAQRZQT-RDJZCZTQSA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CCN(Cc2cnon2)CC1 ZINC001002159271 708673265 /nfs/dbraw/zinc/67/32/65/708673265.db2.gz QAIKIWJCBDHNIY-INIZCTEOSA-N 2 1 335.452 1.272 20 0 EDADMP Cc1cnc2cc(C(=O)N(C)C3CC[NH+]([C@@H](C)C(N)=O)CC3)ccn12 ZINC001005397959 708911105 /nfs/dbraw/zinc/91/11/05/708911105.db2.gz UYTDDUBGJVVKSU-ZDUSSCGKSA-N 2 1 343.431 1.053 20 0 EDADMP CC[C@@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)OC ZINC001005408353 708916137 /nfs/dbraw/zinc/91/61/37/708916137.db2.gz XJTXMWWNYQBRDE-HYVNUMGLSA-N 2 1 325.497 1.674 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001002476799 709013806 /nfs/dbraw/zinc/01/38/06/709013806.db2.gz UQSHRXDNNWTSHW-KRWDZBQOSA-N 2 1 343.431 1.398 20 0 EDADMP CCN(C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033960128 709139516 /nfs/dbraw/zinc/13/95/16/709139516.db2.gz YVGIFWKTASEVJQ-HOTGVXAUSA-N 2 1 334.464 1.059 20 0 EDADMP CCN(C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033960128 709139519 /nfs/dbraw/zinc/13/95/19/709139519.db2.gz YVGIFWKTASEVJQ-HOTGVXAUSA-N 2 1 334.464 1.059 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001034017352 709234615 /nfs/dbraw/zinc/23/46/15/709234615.db2.gz RESDUHBRYDVCDM-IAGOWNOFSA-N 2 1 335.492 1.432 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC001034043481 709294812 /nfs/dbraw/zinc/29/48/12/709294812.db2.gz VJZCEFQQJZCRFS-HUUCEWRRSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2scnc2C)C1 ZINC001034043481 709294813 /nfs/dbraw/zinc/29/48/13/709294813.db2.gz VJZCEFQQJZCRFS-HUUCEWRRSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2scnc2C)C1 ZINC001034043481 709294814 /nfs/dbraw/zinc/29/48/14/709294814.db2.gz VJZCEFQQJZCRFS-HUUCEWRRSA-N 2 1 336.505 1.826 20 0 EDADMP C[C@@]12CN(C(=O)C3([NH3+])CCOCC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702069724 709312020 /nfs/dbraw/zinc/31/20/20/709312020.db2.gz QVGCJMONJNJKSZ-PKOBYXMFSA-N 2 1 343.471 1.475 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001002790948 709398638 /nfs/dbraw/zinc/39/86/38/709398638.db2.gz CSWVKEANZLDPML-FUHWJXTLSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCc3ccccc3)C2)C1 ZINC001034148491 709419254 /nfs/dbraw/zinc/41/92/54/709419254.db2.gz LAIKQIPXDSBUEW-RBUKOAKNSA-N 2 1 345.487 1.530 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCc3ccccc3)C2)C1 ZINC001034148491 709419257 /nfs/dbraw/zinc/41/92/57/709419257.db2.gz LAIKQIPXDSBUEW-RBUKOAKNSA-N 2 1 345.487 1.530 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCc3ccccc3)C2)C1 ZINC001034148491 709419260 /nfs/dbraw/zinc/41/92/60/709419260.db2.gz LAIKQIPXDSBUEW-RBUKOAKNSA-N 2 1 345.487 1.530 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCc3ccccc3)C2)C1 ZINC001034148491 709419262 /nfs/dbraw/zinc/41/92/62/709419262.db2.gz LAIKQIPXDSBUEW-RBUKOAKNSA-N 2 1 345.487 1.530 20 0 EDADMP CC(C)[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cnn(C)c1 ZINC000922894378 709420609 /nfs/dbraw/zinc/42/06/09/709420609.db2.gz KDEQWQDCWAXEIC-KRWDZBQOSA-N 2 1 343.479 1.449 20 0 EDADMP Cc1ccccc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034149698 709421735 /nfs/dbraw/zinc/42/17/35/709421735.db2.gz ZGRXOZAOUPDCKE-RTBURBONSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034149698 709421737 /nfs/dbraw/zinc/42/17/37/709421737.db2.gz ZGRXOZAOUPDCKE-RTBURBONSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149698 709421738 /nfs/dbraw/zinc/42/17/38/709421738.db2.gz ZGRXOZAOUPDCKE-RTBURBONSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149698 709421740 /nfs/dbraw/zinc/42/17/40/709421740.db2.gz ZGRXOZAOUPDCKE-RTBURBONSA-N 2 1 345.487 1.796 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002851304 709461683 /nfs/dbraw/zinc/46/16/83/709461683.db2.gz GMCFIBFIHRWZRB-RHSMWYFYSA-N 2 1 346.475 1.511 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002851304 709461686 /nfs/dbraw/zinc/46/16/86/709461686.db2.gz GMCFIBFIHRWZRB-RHSMWYFYSA-N 2 1 346.475 1.511 20 0 EDADMP O=C(N[C@@H]1CCCC[N@H+](CCO)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001034212935 709564268 /nfs/dbraw/zinc/56/42/68/709564268.db2.gz RXXGTOVTRQNOKQ-DLBZAZTESA-N 2 1 337.508 1.604 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CCO)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001034212935 709564271 /nfs/dbraw/zinc/56/42/71/709564271.db2.gz RXXGTOVTRQNOKQ-DLBZAZTESA-N 2 1 337.508 1.604 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CCO)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001034212935 709564274 /nfs/dbraw/zinc/56/42/74/709564274.db2.gz RXXGTOVTRQNOKQ-DLBZAZTESA-N 2 1 337.508 1.604 20 0 EDADMP CO[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034256926 709641070 /nfs/dbraw/zinc/64/10/70/709641070.db2.gz FEASXNDGXGRHHU-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnc(C)o2)CC1 ZINC001002956067 709658614 /nfs/dbraw/zinc/65/86/14/709658614.db2.gz PKMKOKLXSDWHFX-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnc(C)o2)CC1 ZINC001002956067 709658616 /nfs/dbraw/zinc/65/86/16/709658616.db2.gz PKMKOKLXSDWHFX-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP Cn1cc(C[NH+]2CCC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)cn1 ZINC001003146327 710043361 /nfs/dbraw/zinc/04/33/61/710043361.db2.gz PISVLPGXIRAWMI-MSOLQXFVSA-N 2 1 345.491 1.518 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001003158915 710067317 /nfs/dbraw/zinc/06/73/17/710067317.db2.gz JTFMJAMMUINVID-YJBOKZPZSA-N 2 1 345.491 1.911 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001003158915 710067323 /nfs/dbraw/zinc/06/73/23/710067323.db2.gz JTFMJAMMUINVID-YJBOKZPZSA-N 2 1 345.491 1.911 20 0 EDADMP Cc1cncc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC001003168740 710081615 /nfs/dbraw/zinc/08/16/15/710081615.db2.gz UZBHBSTXARDSFW-GOSISDBHSA-N 2 1 330.476 1.955 20 0 EDADMP COC[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034483547 710127732 /nfs/dbraw/zinc/12/77/32/710127732.db2.gz FBJLOQHEIPNCAP-LSDHHAIUSA-N 2 1 334.464 1.767 20 0 EDADMP COC[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034483547 710127735 /nfs/dbraw/zinc/12/77/35/710127735.db2.gz FBJLOQHEIPNCAP-LSDHHAIUSA-N 2 1 334.464 1.767 20 0 EDADMP Cc1cncc(C[N@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001034485926 710132225 /nfs/dbraw/zinc/13/22/25/710132225.db2.gz HLCPUVZUMVIMND-SFHVURJKSA-N 2 1 342.487 1.957 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cncn2C)CC1 ZINC001003228897 710149804 /nfs/dbraw/zinc/14/98/04/710149804.db2.gz DWTXMSOPVPBPPW-SFHVURJKSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001003228897 710149806 /nfs/dbraw/zinc/14/98/06/710149806.db2.gz DWTXMSOPVPBPPW-SFHVURJKSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001003228897 710149810 /nfs/dbraw/zinc/14/98/10/710149810.db2.gz DWTXMSOPVPBPPW-SFHVURJKSA-N 2 1 347.507 1.621 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003229301 710150143 /nfs/dbraw/zinc/15/01/43/710150143.db2.gz FJGCKBNUMQWFGK-WBVHZDCISA-N 2 1 325.497 1.722 20 0 EDADMP Cc1csc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034526182 710177341 /nfs/dbraw/zinc/17/73/41/710177341.db2.gz VJNMIWKWQMEFTM-GJZGRUSLSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1csc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034526182 710177344 /nfs/dbraw/zinc/17/73/44/710177344.db2.gz VJNMIWKWQMEFTM-GJZGRUSLSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1csc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034526182 710177347 /nfs/dbraw/zinc/17/73/47/710177347.db2.gz VJNMIWKWQMEFTM-GJZGRUSLSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1csc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034526182 710177350 /nfs/dbraw/zinc/17/73/50/710177350.db2.gz VJNMIWKWQMEFTM-GJZGRUSLSA-N 2 1 336.505 1.874 20 0 EDADMP CO[C@@H](C[NH+]1CCC(NC(=O)Cn2c[nH+]cc2C)CC1)C1CCCC1 ZINC001003318563 710247327 /nfs/dbraw/zinc/24/73/27/710247327.db2.gz LNTWBIDVWURFIH-SFHVURJKSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001003320052 710248816 /nfs/dbraw/zinc/24/88/16/710248816.db2.gz ZTCILJRBGVRLOS-MRXNPFEDSA-N 2 1 334.464 1.589 20 0 EDADMP CC1CC(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CC2)C1 ZINC001003330776 710265298 /nfs/dbraw/zinc/26/52/98/710265298.db2.gz CSIXTUXYSYPHJS-ZVQXUQNISA-N 2 1 347.503 1.476 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)s1 ZINC001034607699 710271359 /nfs/dbraw/zinc/27/13/59/710271359.db2.gz RAFUBFPDHPMVLY-MGPQQGTHSA-N 2 1 337.493 1.458 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1)C1CCCC1 ZINC001032839487 710281542 /nfs/dbraw/zinc/28/15/42/710281542.db2.gz QRHSVJMPSSYYLV-SQNIBIBYSA-N 2 1 337.508 1.866 20 0 EDADMP CO[C@@H](C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C1CCCC1 ZINC001032839487 710281544 /nfs/dbraw/zinc/28/15/44/710281544.db2.gz QRHSVJMPSSYYLV-SQNIBIBYSA-N 2 1 337.508 1.866 20 0 EDADMP CO[C@@H](C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)C1CCCC1 ZINC001032839487 710281546 /nfs/dbraw/zinc/28/15/46/710281546.db2.gz QRHSVJMPSSYYLV-SQNIBIBYSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3)CC2)C1 ZINC001034614060 710289478 /nfs/dbraw/zinc/28/94/78/710289478.db2.gz GXMASIKDOLHEDN-KZNAEPCWSA-N 2 1 331.460 1.534 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3)CC2)C1 ZINC001034614060 710289480 /nfs/dbraw/zinc/28/94/80/710289480.db2.gz GXMASIKDOLHEDN-KZNAEPCWSA-N 2 1 331.460 1.534 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC001034614284 710289485 /nfs/dbraw/zinc/28/94/85/710289485.db2.gz LGYWYJVCJCJBTM-GUDVDZBRSA-N 2 1 345.487 1.843 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC001034614284 710289488 /nfs/dbraw/zinc/28/94/88/710289488.db2.gz LGYWYJVCJCJBTM-GUDVDZBRSA-N 2 1 345.487 1.843 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034642537 710318153 /nfs/dbraw/zinc/31/81/53/710318153.db2.gz GUGMYYDMLATIPM-JFIYKMOQSA-N 2 1 347.507 1.810 20 0 EDADMP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1)C(N)=O ZINC001034646858 710323189 /nfs/dbraw/zinc/32/31/89/710323189.db2.gz YJJGQEMXGIECQG-FPCVCCKLSA-N 2 1 338.496 1.140 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCc3ccnn3C)CC2)CC[N@H+]1C ZINC001034647321 710323720 /nfs/dbraw/zinc/32/37/20/710323720.db2.gz DYZPGGDKLVBYFY-YFHUEUNASA-N 2 1 347.507 1.320 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nc(C)[nH+]1 ZINC001061266008 710362107 /nfs/dbraw/zinc/36/21/07/710362107.db2.gz LCEDQBOQAUMMIJ-YOEHRIQHSA-N 2 1 345.491 1.862 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc(C)[nH+]1 ZINC001061266008 710362108 /nfs/dbraw/zinc/36/21/08/710362108.db2.gz LCEDQBOQAUMMIJ-YOEHRIQHSA-N 2 1 345.491 1.862 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccc(F)cn3)CC2)C1 ZINC001003625266 710454586 /nfs/dbraw/zinc/45/45/86/710454586.db2.gz DPOHMXUBWGKWJS-AWEZNQCLSA-N 2 1 334.439 1.643 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccc(F)cn3)CC2)C1 ZINC001003625266 710454587 /nfs/dbraw/zinc/45/45/87/710454587.db2.gz DPOHMXUBWGKWJS-AWEZNQCLSA-N 2 1 334.439 1.643 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003626113 710455137 /nfs/dbraw/zinc/45/51/37/710455137.db2.gz MGOKDYXUPYUUSH-HUUCEWRRSA-N 2 1 331.464 1.460 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003626113 710455138 /nfs/dbraw/zinc/45/51/38/710455138.db2.gz MGOKDYXUPYUUSH-HUUCEWRRSA-N 2 1 331.464 1.460 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3cncc(F)c3)CC2)C1 ZINC001003626443 710455668 /nfs/dbraw/zinc/45/56/68/710455668.db2.gz OXZJEUSVLIOWNI-AWEZNQCLSA-N 2 1 334.439 1.643 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3cncc(F)c3)CC2)C1 ZINC001003626443 710455669 /nfs/dbraw/zinc/45/56/69/710455669.db2.gz OXZJEUSVLIOWNI-AWEZNQCLSA-N 2 1 334.439 1.643 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001003628712 710458642 /nfs/dbraw/zinc/45/86/42/710458642.db2.gz VCDPYKXMZIWMTO-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC001003632691 710461422 /nfs/dbraw/zinc/46/14/22/710461422.db2.gz BRDGZLNXJUFFAV-HNAYVOBHSA-N 2 1 345.487 1.974 20 0 EDADMP C[N@@H+]1C[C@H](C(=O)NC2CC[NH+](CCF)CC2)[C@@H](c2ccccc2)C1 ZINC001003666805 710479563 /nfs/dbraw/zinc/47/95/63/710479563.db2.gz DOWODCOBRHNWHQ-MSOLQXFVSA-N 2 1 333.451 1.882 20 0 EDADMP C[N@H+]1C[C@H](C(=O)NC2CC[NH+](CCF)CC2)[C@@H](c2ccccc2)C1 ZINC001003666805 710479564 /nfs/dbraw/zinc/47/95/64/710479564.db2.gz DOWODCOBRHNWHQ-MSOLQXFVSA-N 2 1 333.451 1.882 20 0 EDADMP Cn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034673400 710607172 /nfs/dbraw/zinc/60/71/72/710607172.db2.gz AFRBKJZHZFBIOF-BZUAXINKSA-N 2 1 333.480 1.421 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)co1 ZINC001034673509 710611264 /nfs/dbraw/zinc/61/12/64/710611264.db2.gz BZOFBOLWNKVPJE-BFYDXBDKSA-N 2 1 334.464 1.984 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001005591240 710648053 /nfs/dbraw/zinc/64/80/53/710648053.db2.gz GXCHCLZQYOOLQP-ROUUACIJSA-N 2 1 337.508 1.963 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001005594448 710655749 /nfs/dbraw/zinc/65/57/49/710655749.db2.gz YVLRRXKDRBPQQG-QZTJIDSGSA-N 2 1 337.508 1.963 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccnn3C)CC2)CC1 ZINC001003891731 710833821 /nfs/dbraw/zinc/83/38/21/710833821.db2.gz CRTVRHIQWISXMN-UHFFFAOYSA-N 2 1 347.507 1.621 20 0 EDADMP CN(C)c1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001032944475 710921141 /nfs/dbraw/zinc/92/11/41/710921141.db2.gz LBGXFEZQIMRBPL-OALUTQOASA-N 2 1 344.503 1.880 20 0 EDADMP CN(C)c1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001032944475 710921145 /nfs/dbraw/zinc/92/11/45/710921145.db2.gz LBGXFEZQIMRBPL-OALUTQOASA-N 2 1 344.503 1.880 20 0 EDADMP CN(C)c1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001032944475 710921149 /nfs/dbraw/zinc/92/11/49/710921149.db2.gz LBGXFEZQIMRBPL-OALUTQOASA-N 2 1 344.503 1.880 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC001032959789 710992037 /nfs/dbraw/zinc/99/20/37/710992037.db2.gz JRMDWXXUGIRRER-RHSMWYFYSA-N 2 1 343.431 1.350 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc3nonc3c2)C1 ZINC001032959789 710992041 /nfs/dbraw/zinc/99/20/41/710992041.db2.gz JRMDWXXUGIRRER-RHSMWYFYSA-N 2 1 343.431 1.350 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)cc1 ZINC001032967409 711027372 /nfs/dbraw/zinc/02/73/72/711027372.db2.gz IMCOQFYZSCJDQP-WMZOPIPTSA-N 2 1 331.460 1.822 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001032967409 711027379 /nfs/dbraw/zinc/02/73/79/711027379.db2.gz IMCOQFYZSCJDQP-WMZOPIPTSA-N 2 1 331.460 1.822 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001032967409 711027382 /nfs/dbraw/zinc/02/73/82/711027382.db2.gz IMCOQFYZSCJDQP-WMZOPIPTSA-N 2 1 331.460 1.822 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC001034776655 711053336 /nfs/dbraw/zinc/05/33/36/711053336.db2.gz WGWDMWXOVQFNMX-BRWVUGGUSA-N 2 1 345.491 1.644 20 0 EDADMP Cc1cncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001034791242 711104544 /nfs/dbraw/zinc/10/45/44/711104544.db2.gz HWXYJSXUZALULR-BZSNNMDCSA-N 2 1 330.476 1.859 20 0 EDADMP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1)C(N)=O ZINC001034795937 711115631 /nfs/dbraw/zinc/11/56/31/711115631.db2.gz YSPITEHSZQMYDB-KLHDSHLOSA-N 2 1 338.496 1.142 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034793390 711124040 /nfs/dbraw/zinc/12/40/40/711124040.db2.gz YXWQVJKWVUQRTI-IHRRRGAJSA-N 2 1 335.452 1.101 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034793390 711124043 /nfs/dbraw/zinc/12/40/43/711124043.db2.gz YXWQVJKWVUQRTI-IHRRRGAJSA-N 2 1 335.452 1.101 20 0 EDADMP Cc1nnsc1CN1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003972838 711128304 /nfs/dbraw/zinc/12/83/04/711128304.db2.gz AVLQEYZZXXKTFF-CYBMUJFWSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003972838 711128309 /nfs/dbraw/zinc/12/83/09/711128309.db2.gz AVLQEYZZXXKTFF-CYBMUJFWSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003972838 711128313 /nfs/dbraw/zinc/12/83/13/711128313.db2.gz AVLQEYZZXXKTFF-CYBMUJFWSA-N 2 1 337.493 1.269 20 0 EDADMP CC1CC(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)cc2)C1 ZINC001034811114 711173414 /nfs/dbraw/zinc/17/34/14/711173414.db2.gz QKDRTBDKJZXYKY-PPSBMQLTSA-N 2 1 345.487 1.769 20 0 EDADMP CC1CC(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2)C1 ZINC001034811114 711173418 /nfs/dbraw/zinc/17/34/18/711173418.db2.gz QKDRTBDKJZXYKY-PPSBMQLTSA-N 2 1 345.487 1.769 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCc2ccc(CNCc3nncs3)cc2)C1 ZINC001034831316 711237455 /nfs/dbraw/zinc/23/74/55/711237455.db2.gz PFYJDVHQPHGVHN-OAHLLOKOSA-N 2 1 345.472 1.396 20 0 EDADMP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)ccn1 ZINC001034881856 711282618 /nfs/dbraw/zinc/28/26/18/711282618.db2.gz NQZLWFXRHTZXSS-CVEARBPZSA-N 2 1 332.448 1.265 20 0 EDADMP COc1nccc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)n1 ZINC001034957727 711429743 /nfs/dbraw/zinc/42/97/43/711429743.db2.gz GUFJFYFUBAXBQS-MRXNPFEDSA-N 2 1 347.463 1.050 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(CO)cc2)CC[N@H+]1C ZINC001034939671 711442153 /nfs/dbraw/zinc/44/21/53/711442153.db2.gz JYJLIGRHNYCDHC-ATZDWAIDSA-N 2 1 345.487 1.600 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)C2 ZINC000922386552 711447934 /nfs/dbraw/zinc/44/79/34/711447934.db2.gz FWYGHHOMUINHHU-YWTNHNAXSA-N 2 1 348.491 1.286 20 0 EDADMP CCc1ncc(C[NH2+][C@@H]2C[C@]3(C[N@H+](CC)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000922394644 711461137 /nfs/dbraw/zinc/46/11/37/711461137.db2.gz PWZNKLDEYUALOF-PSBWJHGTSA-N 2 1 332.492 1.998 20 0 EDADMP CCn1nnc(C)c1C[NH2+][C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922396065 711470673 /nfs/dbraw/zinc/47/06/73/711470673.db2.gz ZUFXKPYLBYVDSD-VDHUWJSZSA-N 2 1 335.496 1.566 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccncc3Cl)CC2)C1 ZINC001004146650 711557533 /nfs/dbraw/zinc/55/75/33/711557533.db2.gz ZJUUKMYQDBBFHZ-CQSZACIVSA-N 2 1 336.867 1.767 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccncc3Cl)CC2)C1 ZINC001004146650 711557536 /nfs/dbraw/zinc/55/75/36/711557536.db2.gz ZJUUKMYQDBBFHZ-CQSZACIVSA-N 2 1 336.867 1.767 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCOc3cccc(F)c3)CC2)C1 ZINC001004146824 711557640 /nfs/dbraw/zinc/55/76/40/711557640.db2.gz AWVCNIBMKZBDPH-OAHLLOKOSA-N 2 1 349.450 1.737 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC001004185467 711627121 /nfs/dbraw/zinc/62/71/21/711627121.db2.gz MXUNEXQHPRHIEQ-CYBMUJFWSA-N 2 1 337.386 1.240 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC001004185467 711627124 /nfs/dbraw/zinc/62/71/24/711627124.db2.gz MXUNEXQHPRHIEQ-CYBMUJFWSA-N 2 1 337.386 1.240 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000922519036 711648722 /nfs/dbraw/zinc/64/87/22/711648722.db2.gz LHDVJISKADXAGC-WBVHZDCISA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922519036 711648724 /nfs/dbraw/zinc/64/87/24/711648724.db2.gz LHDVJISKADXAGC-WBVHZDCISA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000922519036 711648726 /nfs/dbraw/zinc/64/87/26/711648726.db2.gz LHDVJISKADXAGC-WBVHZDCISA-N 2 1 340.512 1.659 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922519027 711648837 /nfs/dbraw/zinc/64/88/37/711648837.db2.gz LDLMGPMFUKHSGX-KKUMJFAQSA-N 2 1 328.526 1.594 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922519027 711648838 /nfs/dbraw/zinc/64/88/38/711648838.db2.gz LDLMGPMFUKHSGX-KKUMJFAQSA-N 2 1 328.526 1.594 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000922519027 711648839 /nfs/dbraw/zinc/64/88/39/711648839.db2.gz LDLMGPMFUKHSGX-KKUMJFAQSA-N 2 1 328.526 1.594 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001033127905 711878757 /nfs/dbraw/zinc/87/87/57/711878757.db2.gz YHHISPSCHDLTSC-CVEARBPZSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001033127905 711878760 /nfs/dbraw/zinc/87/87/60/711878760.db2.gz YHHISPSCHDLTSC-CVEARBPZSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001033127905 711878762 /nfs/dbraw/zinc/87/87/62/711878762.db2.gz YHHISPSCHDLTSC-CVEARBPZSA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001033127905 711878765 /nfs/dbraw/zinc/87/87/65/711878765.db2.gz YHHISPSCHDLTSC-CVEARBPZSA-N 2 1 334.464 1.890 20 0 EDADMP CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2Cc2cnon2)CC1)[NH+](C)C ZINC001004548147 711958597 /nfs/dbraw/zinc/95/85/97/711958597.db2.gz QGBPNXDYKRZBBO-DLBZAZTESA-N 2 1 349.479 1.613 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033144437 711979595 /nfs/dbraw/zinc/97/95/95/711979595.db2.gz XGJYUNHIUCPHFL-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033144437 711979596 /nfs/dbraw/zinc/97/95/96/711979596.db2.gz XGJYUNHIUCPHFL-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033144437 711979597 /nfs/dbraw/zinc/97/95/97/711979597.db2.gz XGJYUNHIUCPHFL-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)COC)C[C@H]2CC1)[NH+](C)C ZINC000946642432 712128193 /nfs/dbraw/zinc/12/81/93/712128193.db2.gz JGNOEWPRRZORSF-WCXIOVBPSA-N 2 1 325.497 1.532 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000051958544 214109270 /nfs/dbraw/zinc/10/92/70/214109270.db2.gz YORKMRXFFNDROK-UHFFFAOYSA-N 2 1 331.460 1.694 20 0 EDADMP CC[NH+]1CCN(c2cc(N3CC[N@H+](CC)C[C@@H]3C)nc(C)n2)[C@@H](C)C1 ZINC000557696091 306233409 /nfs/dbraw/zinc/23/34/09/306233409.db2.gz OKTDLIBVZKHAHH-HOTGVXAUSA-N 2 1 346.523 1.846 20 0 EDADMP Cn1cc([C@H]2[C@@H](CNC(=O)N3CC[C@@H]([NH+](C)C)C3)CCC[N@H+]2C)cn1 ZINC000377711391 282197529 /nfs/dbraw/zinc/19/75/29/282197529.db2.gz ZYOILCWOCFBEEE-DJIMGWMZSA-N 2 1 348.495 1.149 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000157864346 282238094 /nfs/dbraw/zinc/23/80/94/282238094.db2.gz LDKZDPIPCPUXQD-GOSISDBHSA-N 2 1 330.476 1.186 20 0 EDADMP C[NH+](C)[C@]1(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCCSC1 ZINC000369360619 282273689 /nfs/dbraw/zinc/27/36/89/282273689.db2.gz YALBGNFGSHCZJI-NVXWUHKLSA-N 2 1 325.522 1.947 20 0 EDADMP C[C@@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)[NH+]1CCSCC1 ZINC000374166280 295719340 /nfs/dbraw/zinc/71/93/40/295719340.db2.gz WHFXHBWGIQFMJN-HNNXBMFYSA-N 2 1 325.522 1.758 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000171356381 530063472 /nfs/dbraw/zinc/06/34/72/530063472.db2.gz NSIRQCYBHZKLFG-OALUTQOASA-N 2 1 344.503 1.944 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171356381 530063473 /nfs/dbraw/zinc/06/34/73/530063473.db2.gz NSIRQCYBHZKLFG-OALUTQOASA-N 2 1 344.503 1.944 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000171356381 530063474 /nfs/dbraw/zinc/06/34/74/530063474.db2.gz NSIRQCYBHZKLFG-OALUTQOASA-N 2 1 344.503 1.944 20 0 EDADMP [NH3+]CC1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000561165572 306283416 /nfs/dbraw/zinc/28/34/16/306283416.db2.gz HRSSNYZUTGGQBN-LJQANCHMSA-N 2 1 344.503 1.931 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CCC3(CCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000343777240 539796001 /nfs/dbraw/zinc/79/60/01/539796001.db2.gz XVCYSMJHARUACF-IXDOHACOSA-N 2 1 325.497 1.017 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN2CCC3(CCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000343777240 539796005 /nfs/dbraw/zinc/79/60/05/539796005.db2.gz XVCYSMJHARUACF-IXDOHACOSA-N 2 1 325.497 1.017 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN2CCC3(CCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000343777240 539796009 /nfs/dbraw/zinc/79/60/09/539796009.db2.gz XVCYSMJHARUACF-IXDOHACOSA-N 2 1 325.497 1.017 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000152565385 539821338 /nfs/dbraw/zinc/82/13/38/539821338.db2.gz UCUHHQLAKZZKIE-GDBMZVCRSA-N 2 1 326.485 1.317 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152565385 539821341 /nfs/dbraw/zinc/82/13/41/539821341.db2.gz UCUHHQLAKZZKIE-GDBMZVCRSA-N 2 1 326.485 1.317 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000152657251 539824880 /nfs/dbraw/zinc/82/48/80/539824880.db2.gz PCPIMIWUDVHELO-GDBMZVCRSA-N 2 1 326.485 1.127 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000152657251 539824885 /nfs/dbraw/zinc/82/48/85/539824885.db2.gz PCPIMIWUDVHELO-GDBMZVCRSA-N 2 1 326.485 1.127 20 0 EDADMP COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)c1 ZINC000346684001 539857442 /nfs/dbraw/zinc/85/74/42/539857442.db2.gz SDNMIMFHWLVTNS-ROUUACIJSA-N 2 1 349.475 1.305 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)CC[N@@H+]1C ZINC000181502693 234208907 /nfs/dbraw/zinc/20/89/07/234208907.db2.gz WNHKINRDWYHKFT-QWHCGFSZSA-N 2 1 331.507 1.441 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)CC[N@H+]1C ZINC000181502693 234208908 /nfs/dbraw/zinc/20/89/08/234208908.db2.gz WNHKINRDWYHKFT-QWHCGFSZSA-N 2 1 331.507 1.441 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000342765986 291048618 /nfs/dbraw/zinc/04/86/18/291048618.db2.gz RJDAGEDPYCWDGV-JYJNAYRXSA-N 2 1 339.480 1.380 20 0 EDADMP Cn1ccnc1[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CC1 ZINC000183361737 235028084 /nfs/dbraw/zinc/02/80/84/235028084.db2.gz OPPNCUQFYIBEPX-KRWDZBQOSA-N 2 1 329.448 1.996 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000348586148 283086826 /nfs/dbraw/zinc/08/68/26/283086826.db2.gz DTFVBXYTKCBVMS-KURKYZTESA-N 2 1 335.492 1.715 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000348586148 283086828 /nfs/dbraw/zinc/08/68/28/283086828.db2.gz DTFVBXYTKCBVMS-KURKYZTESA-N 2 1 335.492 1.715 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000348586148 283086829 /nfs/dbraw/zinc/08/68/29/283086829.db2.gz DTFVBXYTKCBVMS-KURKYZTESA-N 2 1 335.492 1.715 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000073173691 138215170 /nfs/dbraw/zinc/21/51/70/138215170.db2.gz IJBIFNWQKMMWEO-OALUTQOASA-N 2 1 345.487 1.969 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000073173691 138215171 /nfs/dbraw/zinc/21/51/71/138215171.db2.gz IJBIFNWQKMMWEO-OALUTQOASA-N 2 1 345.487 1.969 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000091824777 138285210 /nfs/dbraw/zinc/28/52/10/138285210.db2.gz VXDPOLNWBCOBCD-SFHVURJKSA-N 2 1 331.460 1.984 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000091824777 138285211 /nfs/dbraw/zinc/28/52/11/138285211.db2.gz VXDPOLNWBCOBCD-SFHVURJKSA-N 2 1 331.460 1.984 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-n4cncn4)cc3)C2)CC1 ZINC000093133273 138291860 /nfs/dbraw/zinc/29/18/60/138291860.db2.gz YYHRCTMNZBVRFF-IBGZPJMESA-N 2 1 340.475 1.479 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(CCC(=O)OC)c2C)C1 ZINC000093770310 138294342 /nfs/dbraw/zinc/29/43/42/138294342.db2.gz PSNDHESACUKPCK-MRXNPFEDSA-N 2 1 336.480 1.837 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(CCC(=O)OC)c2C)C1 ZINC000093770310 138294343 /nfs/dbraw/zinc/29/43/43/138294343.db2.gz PSNDHESACUKPCK-MRXNPFEDSA-N 2 1 336.480 1.837 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(CCC(=O)OC)c2C)C1 ZINC000093770310 138294344 /nfs/dbraw/zinc/29/43/44/138294344.db2.gz PSNDHESACUKPCK-MRXNPFEDSA-N 2 1 336.480 1.837 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(CCC(=O)OC)c2C)C1 ZINC000093770310 138294345 /nfs/dbraw/zinc/29/43/45/138294345.db2.gz PSNDHESACUKPCK-MRXNPFEDSA-N 2 1 336.480 1.837 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)COc3ccc(C)cc3)C2)CC1 ZINC000107370996 138304212 /nfs/dbraw/zinc/30/42/12/138304212.db2.gz RPLAOGDFIFXIPU-OALUTQOASA-N 2 1 347.503 1.447 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000120900358 138316489 /nfs/dbraw/zinc/31/64/89/138316489.db2.gz GZHUXYDMIPJBBO-WMZOPIPTSA-N 2 1 348.491 1.384 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000120900358 138316490 /nfs/dbraw/zinc/31/64/90/138316490.db2.gz GZHUXYDMIPJBBO-WMZOPIPTSA-N 2 1 348.491 1.384 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000120900358 138316491 /nfs/dbraw/zinc/31/64/91/138316491.db2.gz GZHUXYDMIPJBBO-WMZOPIPTSA-N 2 1 348.491 1.384 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000563586530 306340163 /nfs/dbraw/zinc/34/01/63/306340163.db2.gz QCIZBDLBJRZLIR-HOTGVXAUSA-N 2 1 326.485 1.175 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000563591669 306340603 /nfs/dbraw/zinc/34/06/03/306340603.db2.gz YFOAYIIIZUFAGW-FZCLSBEQSA-N 2 1 330.476 1.947 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000131746068 138365207 /nfs/dbraw/zinc/36/52/07/138365207.db2.gz OUKIKBLDGFIJBW-ROUUACIJSA-N 2 1 331.460 1.344 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000131746068 138365209 /nfs/dbraw/zinc/36/52/09/138365209.db2.gz OUKIKBLDGFIJBW-ROUUACIJSA-N 2 1 331.460 1.344 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)CC2)cs1 ZINC000186820770 236032807 /nfs/dbraw/zinc/03/28/07/236032807.db2.gz ORGKJXYHOUFBBI-LRDDRELGSA-N 2 1 336.505 1.778 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000341159806 291138879 /nfs/dbraw/zinc/13/88/79/291138879.db2.gz SROSTSJNCRDBNM-MAUKXSAKSA-N 2 1 344.503 1.868 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)CC[N@H+]1CCOC ZINC000345760632 535430867 /nfs/dbraw/zinc/43/08/67/535430867.db2.gz UYLUGATXJWZBEX-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[NH2+]CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418078403 283388660 /nfs/dbraw/zinc/38/86/60/283388660.db2.gz VTADDYDMQLJYHJ-SFHVURJKSA-N 2 1 348.491 1.576 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000564551406 306360323 /nfs/dbraw/zinc/36/03/23/306360323.db2.gz XNNKCMAMAPJFOW-NEWSRXKRSA-N 2 1 344.503 1.848 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000173951192 237271885 /nfs/dbraw/zinc/27/18/85/237271885.db2.gz LZBJGNKPGDESMI-MRXNPFEDSA-N 2 1 348.495 1.831 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000564837922 306366421 /nfs/dbraw/zinc/36/64/21/306366421.db2.gz SEXSGXYRODXWOR-HQRMLTQVSA-N 2 1 327.472 1.860 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449858609 305320860 /nfs/dbraw/zinc/32/08/60/305320860.db2.gz VNEBHDMTWWGCEE-MRXNPFEDSA-N 2 1 325.522 1.949 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449858609 305320861 /nfs/dbraw/zinc/32/08/61/305320861.db2.gz VNEBHDMTWWGCEE-MRXNPFEDSA-N 2 1 325.522 1.949 20 0 EDADMP COc1cc(C[NH2+]CCC[NH+]2CCC2)cc(Cl)c1OCC(N)=O ZINC000565217244 306378996 /nfs/dbraw/zinc/37/89/96/306378996.db2.gz QQUFZPRGRXVTDW-UHFFFAOYSA-N 2 1 341.839 1.398 20 0 EDADMP COC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367132287 291243415 /nfs/dbraw/zinc/24/34/15/291243415.db2.gz AFJIPBGHCMPJLV-IAGOWNOFSA-N 2 1 325.497 1.534 20 0 EDADMP COC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367132287 291243416 /nfs/dbraw/zinc/24/34/16/291243416.db2.gz AFJIPBGHCMPJLV-IAGOWNOFSA-N 2 1 325.497 1.534 20 0 EDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000565298608 306381061 /nfs/dbraw/zinc/38/10/61/306381061.db2.gz KJLJEACYRVVPDW-GDBMZVCRSA-N 2 1 346.475 1.493 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000130346107 223145707 /nfs/dbraw/zinc/14/57/07/223145707.db2.gz UANHJBBILBIZJW-UHFFFAOYSA-N 2 1 329.404 1.862 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000130346107 223145709 /nfs/dbraw/zinc/14/57/09/223145709.db2.gz UANHJBBILBIZJW-UHFFFAOYSA-N 2 1 329.404 1.862 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414697948 304128848 /nfs/dbraw/zinc/12/88/48/304128848.db2.gz WYQOTXZXDPUQMZ-OAHLLOKOSA-N 2 1 346.475 1.712 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000414703676 304130152 /nfs/dbraw/zinc/13/01/52/304130152.db2.gz MNCUNVTXIQQDNU-IRXDYDNUSA-N 2 1 333.451 1.887 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000414709580 304130719 /nfs/dbraw/zinc/13/07/19/304130719.db2.gz RHGXFRHJLXUGHV-AWEZNQCLSA-N 2 1 332.448 1.335 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)C(C)C)C2)CC1 ZINC000451523855 305351060 /nfs/dbraw/zinc/35/10/60/305351060.db2.gz AWGOXXFHQDCTIA-MSOLQXFVSA-N 2 1 325.497 1.270 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@H](O)C(C)C)C2)CC1 ZINC000451523855 305351061 /nfs/dbraw/zinc/35/10/61/305351061.db2.gz AWGOXXFHQDCTIA-MSOLQXFVSA-N 2 1 325.497 1.270 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@H](O)C(C)C)C2)CC1 ZINC000451523855 305351062 /nfs/dbraw/zinc/35/10/62/305351062.db2.gz AWGOXXFHQDCTIA-MSOLQXFVSA-N 2 1 325.497 1.270 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414714707 304131855 /nfs/dbraw/zinc/13/18/55/304131855.db2.gz XYTVQPNZFNGMGA-HOTGVXAUSA-N 2 1 339.505 1.593 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000414793954 304141373 /nfs/dbraw/zinc/14/13/73/304141373.db2.gz UXLWLVZOEZSHBR-MSOLQXFVSA-N 2 1 327.432 1.596 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000415039404 304153505 /nfs/dbraw/zinc/15/35/05/304153505.db2.gz MWIMDCQKOHVDSK-CJNGLKHVSA-N 2 1 332.448 1.334 20 0 EDADMP CCOc1c(Br)cc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1OC ZINC000415054191 304155212 /nfs/dbraw/zinc/15/52/12/304155212.db2.gz LFLDBGBYMZBMRV-NSHDSACASA-N 2 1 347.253 1.608 20 0 EDADMP CCOc1c(Br)cc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1OC ZINC000415054191 304155213 /nfs/dbraw/zinc/15/52/13/304155213.db2.gz LFLDBGBYMZBMRV-NSHDSACASA-N 2 1 347.253 1.608 20 0 EDADMP Cc1ccc2ncc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)n2c1 ZINC000415057168 304155276 /nfs/dbraw/zinc/15/52/76/304155276.db2.gz RDJRHJGAZGUPJK-UHFFFAOYSA-N 2 1 327.476 1.949 20 0 EDADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000195159259 139008248 /nfs/dbraw/zinc/00/82/48/139008248.db2.gz TTZAMAQLNTVAIK-IBGZPJMESA-N 2 1 344.503 1.310 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)c2)CC1 ZINC000237197899 139043686 /nfs/dbraw/zinc/04/36/86/139043686.db2.gz AWUQZIGHTGRBFF-HOTGVXAUSA-N 2 1 344.459 1.069 20 0 EDADMP COCC[NH2+]CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000237200369 139043859 /nfs/dbraw/zinc/04/38/59/139043859.db2.gz LERITOPLPJLHLP-INIZCTEOSA-N 2 1 333.476 1.771 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)[C@H]([NH3+])CCSC)[NH+](C)C ZINC000237203195 139044089 /nfs/dbraw/zinc/04/40/89/139044089.db2.gz AENBOMIDPUDXPC-ZIAGYGMSSA-N 2 1 325.478 1.495 20 0 EDADMP C[C@@H]1CCCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H]1C[NH3+] ZINC000237409645 139050434 /nfs/dbraw/zinc/05/04/34/139050434.db2.gz MSDVBEAJOBLUFE-NZSAHSFTSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H]1CCCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H]1C[NH3+] ZINC000237409645 139050435 /nfs/dbraw/zinc/05/04/35/139050435.db2.gz MSDVBEAJOBLUFE-NZSAHSFTSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000237454769 139051685 /nfs/dbraw/zinc/05/16/85/139051685.db2.gz TVIOOGJYTBLMGE-APWZRJJASA-N 2 1 330.476 1.313 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000237463296 139051781 /nfs/dbraw/zinc/05/17/81/139051781.db2.gz QDLDFIBOEIMQHG-SJLPKXTDSA-N 2 1 330.476 1.455 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415193259 304173526 /nfs/dbraw/zinc/17/35/26/304173526.db2.gz JOPCSLQIFRTXJA-HNNXBMFYSA-N 2 1 332.448 1.320 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC[NH2+]1 ZINC000237541876 139053515 /nfs/dbraw/zinc/05/35/15/139053515.db2.gz AZPZUUPRDOUJIS-JYJNAYRXSA-N 2 1 331.460 1.730 20 0 EDADMP C[C@](C[NH3+])(NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000237593471 139055134 /nfs/dbraw/zinc/05/51/34/139055134.db2.gz PAUYJRLQYUDGLK-LJQANCHMSA-N 2 1 330.476 1.048 20 0 EDADMP C[C@H](CC(=O)NCC1CCN(CC[NH+](C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000237609558 139055561 /nfs/dbraw/zinc/05/55/61/139055561.db2.gz DDQIJRAPGLDXPR-AEFFLSMTSA-N 2 1 338.540 1.402 20 0 EDADMP C[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000237609946 139055613 /nfs/dbraw/zinc/05/56/13/139055613.db2.gz TVIOOGJYTBLMGE-QFBILLFUSA-N 2 1 330.476 1.313 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000111794347 220191322 /nfs/dbraw/zinc/19/13/22/220191322.db2.gz FMPASDDSRZETCI-GOSISDBHSA-N 2 1 348.491 1.653 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000111857057 220209550 /nfs/dbraw/zinc/20/95/50/220209550.db2.gz ZYTRITDRKWWJJA-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000111857057 220209556 /nfs/dbraw/zinc/20/95/56/220209556.db2.gz ZYTRITDRKWWJJA-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000245441573 139074989 /nfs/dbraw/zinc/07/49/89/139074989.db2.gz HKZBDLDNEHPWOQ-FUHWJXTLSA-N 2 1 349.475 1.658 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000245441573 139074990 /nfs/dbraw/zinc/07/49/90/139074990.db2.gz HKZBDLDNEHPWOQ-FUHWJXTLSA-N 2 1 349.475 1.658 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000245441573 139074991 /nfs/dbraw/zinc/07/49/91/139074991.db2.gz HKZBDLDNEHPWOQ-FUHWJXTLSA-N 2 1 349.475 1.658 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000245441573 139074992 /nfs/dbraw/zinc/07/49/92/139074992.db2.gz HKZBDLDNEHPWOQ-FUHWJXTLSA-N 2 1 349.475 1.658 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247037163 139132545 /nfs/dbraw/zinc/13/25/45/139132545.db2.gz NYRJHICQCWHVIQ-PKOBYXMFSA-N 2 1 344.503 1.655 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247037163 139132546 /nfs/dbraw/zinc/13/25/46/139132546.db2.gz NYRJHICQCWHVIQ-PKOBYXMFSA-N 2 1 344.503 1.655 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000247308102 139144373 /nfs/dbraw/zinc/14/43/73/139144373.db2.gz VEHGALKJNUYOIV-DOTOQJQBSA-N 2 1 344.459 1.530 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000247308102 139144374 /nfs/dbraw/zinc/14/43/74/139144374.db2.gz VEHGALKJNUYOIV-DOTOQJQBSA-N 2 1 344.459 1.530 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000247308102 139144375 /nfs/dbraw/zinc/14/43/75/139144375.db2.gz VEHGALKJNUYOIV-DOTOQJQBSA-N 2 1 344.459 1.530 20 0 EDADMP COc1ccccc1CCNC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248119444 139158316 /nfs/dbraw/zinc/15/83/16/139158316.db2.gz NDZHKMFXAMATNA-ZWKOTPCHSA-N 2 1 345.487 1.770 20 0 EDADMP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000261621502 139211959 /nfs/dbraw/zinc/21/19/59/139211959.db2.gz CENGGAUIJUMUPI-MSOLQXFVSA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCn2nc3ccccn3c2=O)C[C@H]1c1ccccc1 ZINC000261836675 139230307 /nfs/dbraw/zinc/23/03/07/139230307.db2.gz UECYLYZWNNBDMV-SJORKVTESA-N 2 1 337.427 1.170 20 0 EDADMP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000261996715 139242725 /nfs/dbraw/zinc/24/27/25/139242725.db2.gz UQJAAHKVGLGZJC-CQSZACIVSA-N 2 1 325.478 1.498 20 0 EDADMP Cn1cc(-c2ccc(C[N@H+](C)CC(=O)N3CC[NH2+]CC3)s2)cn1 ZINC000262041796 139246096 /nfs/dbraw/zinc/24/60/96/139246096.db2.gz YJNRACSFZJJNTD-UHFFFAOYSA-N 2 1 333.461 1.012 20 0 EDADMP Cn1cc(-c2ccc(C[N@@H+](C)CC(=O)N3CC[NH2+]CC3)s2)cn1 ZINC000262041796 139246097 /nfs/dbraw/zinc/24/60/97/139246097.db2.gz YJNRACSFZJJNTD-UHFFFAOYSA-N 2 1 333.461 1.012 20 0 EDADMP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262068709 139248340 /nfs/dbraw/zinc/24/83/40/139248340.db2.gz BTEOFAVRTDZCRI-OAHLLOKOSA-N 2 1 329.423 1.695 20 0 EDADMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1OCc1ccccc1 ZINC000262197989 139259238 /nfs/dbraw/zinc/25/92/38/139259238.db2.gz ZPTMYICZEWUJGG-ROUUACIJSA-N 2 1 342.439 1.944 20 0 EDADMP C[C@H](CNC(=O)C1([NH3+])CCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000262202520 139259507 /nfs/dbraw/zinc/25/95/07/139259507.db2.gz WKFJSPDEMRNVJJ-MRXNPFEDSA-N 2 1 330.476 1.585 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000262269802 139265321 /nfs/dbraw/zinc/26/53/21/139265321.db2.gz MWZJIPMKAQYWAS-DYVFJYSZSA-N 2 1 330.432 1.518 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417015689 251133483 /nfs/dbraw/zinc/13/34/83/251133483.db2.gz FMPLQFYLHFIWHD-LJQANCHMSA-N 2 1 348.466 1.778 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417015689 251133485 /nfs/dbraw/zinc/13/34/85/251133485.db2.gz FMPLQFYLHFIWHD-LJQANCHMSA-N 2 1 348.466 1.778 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@@H]([NH3+])C2)cc1F ZINC000417270562 251152089 /nfs/dbraw/zinc/15/20/89/251152089.db2.gz OESLVPFHXNNTOT-CQSZACIVSA-N 2 1 331.395 1.953 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CC[C@H](C[NH3+])C3)c2)CCO1 ZINC000417268439 251152273 /nfs/dbraw/zinc/15/22/73/251152273.db2.gz JLSPNHUYOTXYQZ-MAUKXSAKSA-N 2 1 346.475 1.398 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CC[C@H](C[NH3+])C3)c2)CCO1 ZINC000417268439 251152276 /nfs/dbraw/zinc/15/22/76/251152276.db2.gz JLSPNHUYOTXYQZ-MAUKXSAKSA-N 2 1 346.475 1.398 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417499385 251181134 /nfs/dbraw/zinc/18/11/34/251181134.db2.gz HMLCZXPVIQVJRN-AEFFLSMTSA-N 2 1 332.492 1.848 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000417557254 251186164 /nfs/dbraw/zinc/18/61/64/251186164.db2.gz RCZUWPURFHHLFC-RDJZCZTQSA-N 2 1 328.476 1.984 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000417557254 251186168 /nfs/dbraw/zinc/18/61/68/251186168.db2.gz RCZUWPURFHHLFC-RDJZCZTQSA-N 2 1 328.476 1.984 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417558332 251187499 /nfs/dbraw/zinc/18/74/99/251187499.db2.gz UTMSXANJOXVTBE-HZPDHXFCSA-N 2 1 326.485 1.400 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)C(C)C ZINC000417462510 251177264 /nfs/dbraw/zinc/17/72/64/251177264.db2.gz NWGALYNJPDQCDN-HNNXBMFYSA-N 2 1 326.485 1.114 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417563602 251189317 /nfs/dbraw/zinc/18/93/17/251189317.db2.gz HGCHYTPNIQCRRO-SFHVURJKSA-N 2 1 348.491 1.658 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)CCN1 ZINC000417662521 251217321 /nfs/dbraw/zinc/21/73/21/251217321.db2.gz SDZBEALARHEGPC-BXUZGUMPSA-N 2 1 326.391 1.571 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH2+]C)C2)[C@H](C)C1 ZINC000417674503 251225146 /nfs/dbraw/zinc/22/51/46/251225146.db2.gz ZOPLCFUICSEPFB-IKGGRYGDSA-N 2 1 340.512 1.517 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417721467 251242332 /nfs/dbraw/zinc/24/23/32/251242332.db2.gz AKQOYUGVZASGHH-HZPDHXFCSA-N 2 1 333.480 1.234 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)[nH+]c1 ZINC000417735441 251248727 /nfs/dbraw/zinc/24/87/27/251248727.db2.gz SSNTVFBVMFZJEB-GOEBONIOSA-N 2 1 331.464 1.738 20 0 EDADMP C[C@@H](C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000262506335 139283118 /nfs/dbraw/zinc/28/31/18/139283118.db2.gz BMSYKAMQJSZNBW-MSOLQXFVSA-N 2 1 346.519 1.684 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000417992120 251319593 /nfs/dbraw/zinc/31/95/93/251319593.db2.gz LURFNMRSYBZANL-FHLIZLRMSA-N 2 1 346.475 1.050 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418437181 251370433 /nfs/dbraw/zinc/37/04/33/251370433.db2.gz CQEVTLASJHLGGQ-IEBWSBKVSA-N 2 1 348.491 1.440 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C[NH3+])C2CC2)[C@@H]1c1ccccc1 ZINC000418159687 251348616 /nfs/dbraw/zinc/34/86/16/251348616.db2.gz APVQMOVNEWLFMC-SQNIBIBYSA-N 2 1 346.475 1.485 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C[NH3+])C2CC2)[C@@H]1c1ccccc1 ZINC000418159687 251348619 /nfs/dbraw/zinc/34/86/19/251348619.db2.gz APVQMOVNEWLFMC-SQNIBIBYSA-N 2 1 346.475 1.485 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262568844 139287230 /nfs/dbraw/zinc/28/72/30/139287230.db2.gz FXHNOPFXZWXBMA-OKZBNKHCSA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262568844 139287231 /nfs/dbraw/zinc/28/72/31/139287231.db2.gz FXHNOPFXZWXBMA-OKZBNKHCSA-N 2 1 331.460 1.521 20 0 EDADMP Cc1cc(NC(=O)[C@H](C)[NH3+])n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000262577500 139287938 /nfs/dbraw/zinc/28/79/38/139287938.db2.gz PATDZNFWGTZGMB-HOCLYGCPSA-N 2 1 327.432 1.924 20 0 EDADMP C[C@@]1(CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000418532111 251377513 /nfs/dbraw/zinc/37/75/13/251377513.db2.gz BVTRBFDQBZNBHJ-HXUWFJFHSA-N 2 1 344.503 1.946 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000262656969 139293639 /nfs/dbraw/zinc/29/36/39/139293639.db2.gz CZWYDCQJNIMABJ-ZSNVMCELSA-N 2 1 337.508 1.911 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000262715753 139298380 /nfs/dbraw/zinc/29/83/80/139298380.db2.gz VJHOHRBHFRGQQL-RVKKMQEKSA-N 2 1 325.497 1.852 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262805507 139305011 /nfs/dbraw/zinc/30/50/11/139305011.db2.gz PQTOLHVCJSQISD-ZFWWWQNUSA-N 2 1 330.436 1.379 20 0 EDADMP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000422880416 252010381 /nfs/dbraw/zinc/01/03/81/252010381.db2.gz LUIBIRGFVFIYSY-MRXNPFEDSA-N 3 1 332.492 1.681 20 0 EDADMP COc1cccc(COCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423004934 252024802 /nfs/dbraw/zinc/02/48/02/252024802.db2.gz QISGKTUIVWWLJT-OTWHNJEPSA-N 2 1 334.460 1.959 20 0 EDADMP Cn1ccnc1[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(F)c1 ZINC000423176746 252042618 /nfs/dbraw/zinc/04/26/18/252042618.db2.gz CYCGUVQVYIXGIM-QGZVFWFLSA-N 2 1 331.439 1.534 20 0 EDADMP Cn1ccnc1[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(F)c1 ZINC000423176745 252042932 /nfs/dbraw/zinc/04/29/32/252042932.db2.gz CYCGUVQVYIXGIM-KRWDZBQOSA-N 2 1 331.439 1.534 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423784251 252071844 /nfs/dbraw/zinc/07/18/44/252071844.db2.gz LXCPTIKSTFWCGD-GDBMZVCRSA-N 2 1 333.432 1.172 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000423352422 252051198 /nfs/dbraw/zinc/05/11/98/252051198.db2.gz KOEAWUDKNCDWBH-CRAIPNDOSA-N 2 1 331.460 1.888 20 0 EDADMP C[C@@H]1C[N@H+]([C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C[C@@]1(C)C[NH3+] ZINC000423507314 252056492 /nfs/dbraw/zinc/05/64/92/252056492.db2.gz JPTYCCJAAXUMBB-OAUYIBNBSA-N 2 1 337.489 1.628 20 0 EDADMP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000422909492 252019858 /nfs/dbraw/zinc/01/98/58/252019858.db2.gz GCYFSWPPWKXAMQ-ROUUACIJSA-N 2 1 333.476 1.910 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000423857452 252093457 /nfs/dbraw/zinc/09/34/57/252093457.db2.gz XUHFKWFKPZQJTK-NZSAHSFTSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000423863611 252096794 /nfs/dbraw/zinc/09/67/94/252096794.db2.gz AGKGQZFHYLIOLF-MHORFTMASA-N 2 1 337.508 1.581 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000423932447 252105251 /nfs/dbraw/zinc/10/52/51/252105251.db2.gz OLXHGMRIIQVPQI-SQNIBIBYSA-N 2 1 331.460 1.564 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000423932447 252105255 /nfs/dbraw/zinc/10/52/55/252105255.db2.gz OLXHGMRIIQVPQI-SQNIBIBYSA-N 2 1 331.460 1.564 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423797368 252079754 /nfs/dbraw/zinc/07/97/54/252079754.db2.gz MKEKZEKWYNZHSQ-MRXNPFEDSA-N 2 1 325.497 1.583 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000423802836 252081024 /nfs/dbraw/zinc/08/10/24/252081024.db2.gz VPYPGYBDVLIYNZ-BPQIPLTHSA-N 2 1 330.476 1.750 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000423801322 252081161 /nfs/dbraw/zinc/08/11/61/252081161.db2.gz SUUOFCFXARXVEQ-BZSNNMDCSA-N 2 1 330.476 1.750 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424220388 252166996 /nfs/dbraw/zinc/16/69/96/252166996.db2.gz DRGHUEDXNLHXBK-MRXNPFEDSA-N 2 1 331.464 1.524 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000424426996 252225271 /nfs/dbraw/zinc/22/52/71/252225271.db2.gz NPHBCFRODOJBPG-UHFFFAOYSA-N 2 1 333.480 1.601 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000179483773 532950820 /nfs/dbraw/zinc/95/08/20/532950820.db2.gz CWLFTGSSRIYWMG-MSOLQXFVSA-N 2 1 346.475 1.405 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000179483773 532950822 /nfs/dbraw/zinc/95/08/22/532950822.db2.gz CWLFTGSSRIYWMG-MSOLQXFVSA-N 2 1 346.475 1.405 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000424472375 252244110 /nfs/dbraw/zinc/24/41/10/252244110.db2.gz UYHBSLLGUSERKQ-INIZCTEOSA-N 2 1 346.475 1.629 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424474851 252244429 /nfs/dbraw/zinc/24/44/29/252244429.db2.gz JAIJOLPGRVDIQO-OKZBNKHCSA-N 2 1 330.476 1.886 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000263794699 139360797 /nfs/dbraw/zinc/36/07/97/139360797.db2.gz YZVAFXRLUPQTGI-OAHLLOKOSA-N 2 1 328.420 1.469 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000263794699 139360798 /nfs/dbraw/zinc/36/07/98/139360798.db2.gz YZVAFXRLUPQTGI-OAHLLOKOSA-N 2 1 328.420 1.469 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000487086615 255025357 /nfs/dbraw/zinc/02/53/57/255025357.db2.gz NRFQGPPCWOIINA-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccccn1 ZINC000449826750 285246205 /nfs/dbraw/zinc/24/62/05/285246205.db2.gz SJCMNSFOUKNJEL-IAGOWNOFSA-N 2 1 348.491 1.723 20 0 EDADMP C[NH+](C)C/C=C\C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000492254393 255165380 /nfs/dbraw/zinc/16/53/80/255165380.db2.gz WPTQZDAIVKRCBU-QQSUMNJZSA-N 2 1 331.460 1.103 20 0 EDADMP Cc1c(/C=C\C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cnn1C ZINC000492282718 255167682 /nfs/dbraw/zinc/16/76/82/255167682.db2.gz HYLSCYKEXWGCFG-PLNGDYQASA-N 2 1 340.431 1.527 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[NH+]1CCC(C)CC1 ZINC000354444881 285276875 /nfs/dbraw/zinc/27/68/75/285276875.db2.gz PAVHJOHGHFERGU-SFHVURJKSA-N 3 1 338.540 1.593 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCC(C)CC1 ZINC000354444881 285276879 /nfs/dbraw/zinc/27/68/79/285276879.db2.gz PAVHJOHGHFERGU-SFHVURJKSA-N 2 1 338.540 1.593 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCC(C)CC1 ZINC000354444881 285276896 /nfs/dbraw/zinc/27/68/96/285276896.db2.gz PAVHJOHGHFERGU-SFHVURJKSA-N 2 1 338.540 1.593 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nccn2C1 ZINC000373739455 285279499 /nfs/dbraw/zinc/27/94/99/285279499.db2.gz XWXSMCVQTKZLIE-SJORKVTESA-N 2 1 347.507 1.320 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@](C)(CC)OC ZINC000459004467 285278524 /nfs/dbraw/zinc/27/85/24/285278524.db2.gz PPXFQIORVWRZFJ-WMZOPIPTSA-N 2 1 342.528 1.859 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000417744181 285320298 /nfs/dbraw/zinc/32/02/98/285320298.db2.gz DPMPCMIKVLLAOB-IXDOHACOSA-N 2 1 339.528 1.171 20 0 EDADMP O[C@@H](C[NH+]1CCC[C@@H]1[C@@H]1CCCO1)C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375372826 285350414 /nfs/dbraw/zinc/35/04/14/285350414.db2.gz GOBJHLRTRGWFTN-NNIGNNQHSA-N 2 1 338.492 1.634 20 0 EDADMP O[C@H](C[NH+]1CCC[C@@H]1[C@H]1CCCO1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375372826 285350417 /nfs/dbraw/zinc/35/04/17/285350417.db2.gz GOBJHLRTRGWFTN-NNIGNNQHSA-N 2 1 338.492 1.634 20 0 EDADMP O[C@H](C[NH+]1CCC[C@@H]1[C@H]1CCCO1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375372826 285350421 /nfs/dbraw/zinc/35/04/21/285350421.db2.gz GOBJHLRTRGWFTN-NNIGNNQHSA-N 2 1 338.492 1.634 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)COc2ccccc2)CC1 ZINC000264309100 139395893 /nfs/dbraw/zinc/39/58/93/139395893.db2.gz ZLUUCFBWDZDXNO-WMZOPIPTSA-N 2 1 336.476 1.451 20 0 EDADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000264331897 139397910 /nfs/dbraw/zinc/39/79/10/139397910.db2.gz TWYPLTGFKBJHLG-MRXNPFEDSA-N 2 1 345.491 1.820 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000166381390 533647095 /nfs/dbraw/zinc/64/70/95/533647095.db2.gz IAGROUHFJLQPFY-SJORKVTESA-N 2 1 335.517 1.748 20 0 EDADMP O=C(CC[C@H]1CC[NH2+]C1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000270349878 140083891 /nfs/dbraw/zinc/08/38/91/140083891.db2.gz SKGUKWACGZYHGR-KRWDZBQOSA-N 2 1 345.491 1.100 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000271303292 140274432 /nfs/dbraw/zinc/27/44/32/140274432.db2.gz JDTPGZQUHAGMBH-CYBMUJFWSA-N 2 1 338.419 1.845 20 0 EDADMP Cc1nnc([C@@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000332153050 141131692 /nfs/dbraw/zinc/13/16/92/141131692.db2.gz NKWREXQTPLHBIJ-QGZVFWFLSA-N 2 1 334.512 1.709 20 0 EDADMP Cc1n[nH]c([C@@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000332153050 141131694 /nfs/dbraw/zinc/13/16/94/141131694.db2.gz NKWREXQTPLHBIJ-QGZVFWFLSA-N 2 1 334.512 1.709 20 0 EDADMP Cc1n[nH]c([C@@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000332153050 141131695 /nfs/dbraw/zinc/13/16/95/141131695.db2.gz NKWREXQTPLHBIJ-QGZVFWFLSA-N 2 1 334.512 1.709 20 0 EDADMP Cc1nc([C@@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC000332153050 141131696 /nfs/dbraw/zinc/13/16/96/141131696.db2.gz NKWREXQTPLHBIJ-QGZVFWFLSA-N 2 1 334.512 1.709 20 0 EDADMP Cc1nc([C@@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC000332153050 141131698 /nfs/dbraw/zinc/13/16/98/141131698.db2.gz NKWREXQTPLHBIJ-QGZVFWFLSA-N 2 1 334.512 1.709 20 0 EDADMP Cc1cc(CNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000332198411 141138820 /nfs/dbraw/zinc/13/88/20/141138820.db2.gz VNFUGIJFKHSSCN-LSDHHAIUSA-N 2 1 331.464 1.882 20 0 EDADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(=O)[nH]n3)CC2)nc(C)[nH+]1 ZINC000332561736 141203833 /nfs/dbraw/zinc/20/38/33/141203833.db2.gz VGOCCOPKJBSYLO-LBPRGKRZSA-N 2 1 328.420 1.909 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H](c2ccsc2)O1 ZINC000333083053 141260952 /nfs/dbraw/zinc/26/09/52/141260952.db2.gz BBTKNEOMRLRUDN-IJEWVQPXSA-N 2 1 337.489 1.707 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H](c2ccsc2)O1 ZINC000333083053 141260953 /nfs/dbraw/zinc/26/09/53/141260953.db2.gz BBTKNEOMRLRUDN-IJEWVQPXSA-N 2 1 337.489 1.707 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CCC[NH2+][C@@H]3C)CC2)nc(C)[nH+]1 ZINC000333577346 141339866 /nfs/dbraw/zinc/33/98/66/141339866.db2.gz NDLSNXCQPCDCHB-CZUORRHYSA-N 2 1 346.479 1.502 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)[NH+]1CCC(C)CC1 ZINC000333850178 141394110 /nfs/dbraw/zinc/39/41/10/141394110.db2.gz XBAMXIINIZTWSG-AEFFLSMTSA-N 2 1 345.491 1.858 20 0 EDADMP C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Cc1nnc2n1CCCCC2 ZINC000343242949 142819185 /nfs/dbraw/zinc/81/91/85/142819185.db2.gz ASKVHYWOMQWGFW-BBWFWOEESA-N 2 1 347.507 1.684 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]([NH3+])CC(F)F)CC2)oc1C ZINC000345720756 143125394 /nfs/dbraw/zinc/12/53/94/143125394.db2.gz UOCAKESCIVYFJZ-ZDUSSCGKSA-N 2 1 344.406 1.602 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)[N@H+](C)C1 ZINC000345858629 143140406 /nfs/dbraw/zinc/14/04/06/143140406.db2.gz BJFULGXWXIAAQZ-RBSFLKMASA-N 2 1 338.452 1.243 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)[N@@H+](C)C1 ZINC000345858629 143140407 /nfs/dbraw/zinc/14/04/07/143140407.db2.gz BJFULGXWXIAAQZ-RBSFLKMASA-N 2 1 338.452 1.243 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000346207018 143178875 /nfs/dbraw/zinc/17/88/75/143178875.db2.gz RUNLXTVLBMGZEL-BEFAXECRSA-N 2 1 341.459 1.728 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346252646 143183781 /nfs/dbraw/zinc/18/37/81/143183781.db2.gz LPPKIDAYVWDXBH-IXDOHACOSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346252646 143183782 /nfs/dbraw/zinc/18/37/82/143183782.db2.gz LPPKIDAYVWDXBH-IXDOHACOSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346252646 143183783 /nfs/dbraw/zinc/18/37/83/143183783.db2.gz LPPKIDAYVWDXBH-IXDOHACOSA-N 2 1 339.524 1.968 20 0 EDADMP CCCOc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000347092847 143281684 /nfs/dbraw/zinc/28/16/84/143281684.db2.gz GHGQWIBBCLVHNK-INIZCTEOSA-N 2 1 349.475 1.771 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[NH+](C)C1 ZINC000347479902 143326835 /nfs/dbraw/zinc/32/68/35/143326835.db2.gz NILJTFFEXMNHAN-VEDBGLOESA-N 2 1 338.496 1.362 20 0 EDADMP CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000369684635 155135478 /nfs/dbraw/zinc/13/54/78/155135478.db2.gz WJTPPNMNMXVBPD-ZDUSSCGKSA-N 2 1 331.420 1.710 20 0 EDADMP [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000572738248 306598279 /nfs/dbraw/zinc/59/82/79/306598279.db2.gz PXSFRZPMTNEOMR-BBWFWOEESA-N 2 1 338.496 1.400 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@H](O)c2cccnc2)(N2CCCCC2)CC1 ZINC000369775224 155170331 /nfs/dbraw/zinc/17/03/31/155170331.db2.gz PAGMPTKAEJLBND-QGZVFWFLSA-N 2 1 346.475 1.182 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)[C@H](C)C1 ZINC000417667721 286060638 /nfs/dbraw/zinc/06/06/38/286060638.db2.gz HJYNZUADLFSDCR-QZWWFDLISA-N 2 1 340.512 1.515 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC000458412816 286060719 /nfs/dbraw/zinc/06/07/19/286060719.db2.gz OPBZJCQEQGJQQH-CVEARBPZSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCSCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000352666816 149109116 /nfs/dbraw/zinc/10/91/16/149109116.db2.gz XGOKLAONEKESIV-CABCVRRESA-N 2 1 328.526 1.455 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCSCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000352666816 149109118 /nfs/dbraw/zinc/10/91/18/149109118.db2.gz XGOKLAONEKESIV-CABCVRRESA-N 2 1 328.526 1.455 20 0 EDADMP CCOc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1OCC ZINC000352689812 149118440 /nfs/dbraw/zinc/11/84/40/149118440.db2.gz AQWWIJOOIDTYQV-QGZVFWFLSA-N 2 1 333.476 1.964 20 0 EDADMP C[NH+]1CCC(CNC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)CC1 ZINC000369906431 155226944 /nfs/dbraw/zinc/22/69/44/155226944.db2.gz ADSRZPYAQPJYAG-UHFFFAOYSA-N 2 1 333.480 1.183 20 0 EDADMP C[NH+]1CCC(CNC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)CC1 ZINC000369906431 155226948 /nfs/dbraw/zinc/22/69/48/155226948.db2.gz ADSRZPYAQPJYAG-UHFFFAOYSA-N 2 1 333.480 1.183 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000353099529 149286273 /nfs/dbraw/zinc/28/62/73/149286273.db2.gz WEGFHSLCKHBJLP-CVEARBPZSA-N 2 1 338.496 1.148 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[NH+]1CCOCC1 ZINC000416966489 304356648 /nfs/dbraw/zinc/35/66/48/304356648.db2.gz YJIIUGNBIPRYPJ-INMHGKMJSA-N 2 1 340.512 1.502 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000369944952 155246867 /nfs/dbraw/zinc/24/68/67/155246867.db2.gz UHEXFXXGHLXTBN-KRWDZBQOSA-N 2 1 336.524 1.537 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000369944952 155246871 /nfs/dbraw/zinc/24/68/71/155246871.db2.gz UHEXFXXGHLXTBN-KRWDZBQOSA-N 2 1 336.524 1.537 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000416974807 304359035 /nfs/dbraw/zinc/35/90/35/304359035.db2.gz LWKNLIDISGACGP-UHFFFAOYSA-N 2 1 347.507 1.183 20 0 EDADMP COCC1(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)CC[NH2+]CC1 ZINC000358868160 292218483 /nfs/dbraw/zinc/21/84/83/292218483.db2.gz VLYOFONSFVTEBE-MRXNPFEDSA-N 2 1 349.475 1.430 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[NH+](C2CCOCC2)CC1 ZINC000369979837 155263859 /nfs/dbraw/zinc/26/38/59/155263859.db2.gz OGAXENYJCKEQNO-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369979837 155263862 /nfs/dbraw/zinc/26/38/62/155263862.db2.gz OGAXENYJCKEQNO-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP C[C@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000356624022 150721166 /nfs/dbraw/zinc/72/11/66/150721166.db2.gz SESOWCSHFMJPPR-BRWVUGGUSA-N 2 1 326.529 1.590 20 0 EDADMP C[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000356624022 150721169 /nfs/dbraw/zinc/72/11/69/150721169.db2.gz SESOWCSHFMJPPR-BRWVUGGUSA-N 2 1 326.529 1.590 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417047199 304366308 /nfs/dbraw/zinc/36/63/08/304366308.db2.gz UGPNLIHHZXAYPI-HOTGVXAUSA-N 2 1 333.480 1.186 20 0 EDADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000357407681 151022897 /nfs/dbraw/zinc/02/28/97/151022897.db2.gz QKYONRCYRZPHOK-RDJZCZTQSA-N 2 1 325.497 1.865 20 0 EDADMP CSC1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH+](C)CC1 ZINC000357734841 151131846 /nfs/dbraw/zinc/13/18/46/151131846.db2.gz WXGOOHFXZQPYHW-CABCVRRESA-N 2 1 340.537 1.740 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000357823056 151162629 /nfs/dbraw/zinc/16/26/29/151162629.db2.gz AETMPDDGYWJYMU-QGZVFWFLSA-N 2 1 341.544 1.432 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357823056 151162632 /nfs/dbraw/zinc/16/26/32/151162632.db2.gz AETMPDDGYWJYMU-QGZVFWFLSA-N 2 1 341.544 1.432 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000357823056 151162634 /nfs/dbraw/zinc/16/26/34/151162634.db2.gz AETMPDDGYWJYMU-QGZVFWFLSA-N 2 1 341.544 1.432 20 0 EDADMP CC1=CC[NH+](CCNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000358190101 151299138 /nfs/dbraw/zinc/29/91/38/151299138.db2.gz NJHXZGBXKNLEBR-QGZVFWFLSA-N 2 1 338.496 1.294 20 0 EDADMP CC1=CC[N@H+](CCNC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000358190101 151299141 /nfs/dbraw/zinc/29/91/41/151299141.db2.gz NJHXZGBXKNLEBR-QGZVFWFLSA-N 2 1 338.496 1.294 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000358190101 151299143 /nfs/dbraw/zinc/29/91/43/151299143.db2.gz NJHXZGBXKNLEBR-QGZVFWFLSA-N 2 1 338.496 1.294 20 0 EDADMP COc1ccccc1N1CC[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C1=O ZINC000358497828 151395048 /nfs/dbraw/zinc/39/50/48/151395048.db2.gz LFVWBSJNMIMGGE-INIZCTEOSA-N 2 1 329.444 1.876 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417114840 304373758 /nfs/dbraw/zinc/37/37/58/304373758.db2.gz OHEXNFDLVHFVQD-OAGGEKHMSA-N 2 1 348.491 1.832 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417114840 304373760 /nfs/dbraw/zinc/37/37/60/304373760.db2.gz OHEXNFDLVHFVQD-OAGGEKHMSA-N 2 1 348.491 1.832 20 0 EDADMP COC[C@H](C)[C@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000360396476 152020730 /nfs/dbraw/zinc/02/07/30/152020730.db2.gz RMXOASYDRHVZBO-SZNINPNASA-N 2 1 337.508 1.674 20 0 EDADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CC[C@H]3[C@@H](CCC[NH+]3C)C1)C2 ZINC000360571879 152102531 /nfs/dbraw/zinc/10/25/31/152102531.db2.gz RMEIFIKSPDSAKT-GPQQEZGISA-N 2 1 334.508 1.985 20 0 EDADMP C[NH+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CC[C@H]3[C@@H](CCC[N@@H+]3C)C1)C2 ZINC000360571879 152102532 /nfs/dbraw/zinc/10/25/32/152102532.db2.gz RMEIFIKSPDSAKT-GPQQEZGISA-N 2 1 334.508 1.985 20 0 EDADMP C[NH+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CC[C@H]3[C@@H](CCC[N@H+]3C)C1)C2 ZINC000360571879 152102534 /nfs/dbraw/zinc/10/25/34/152102534.db2.gz RMEIFIKSPDSAKT-GPQQEZGISA-N 2 1 334.508 1.985 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360749444 152184644 /nfs/dbraw/zinc/18/46/44/152184644.db2.gz ZIIXMIZFJIHDOQ-BFYDXBDKSA-N 2 1 340.537 1.692 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000360939627 152259013 /nfs/dbraw/zinc/25/90/13/152259013.db2.gz BRZWORGGWVVUOJ-PKOBYXMFSA-N 3 1 331.508 1.524 20 0 EDADMP C[C@H]1CN(C)CC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000360939627 152259017 /nfs/dbraw/zinc/25/90/17/152259017.db2.gz BRZWORGGWVVUOJ-PKOBYXMFSA-N 2 1 331.508 1.524 20 0 EDADMP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360955853 152263251 /nfs/dbraw/zinc/26/32/51/152263251.db2.gz DQZUZJVCNYMVKX-SOUVJXGZSA-N 2 1 326.485 1.711 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000361000597 152275650 /nfs/dbraw/zinc/27/56/50/152275650.db2.gz YYRSFSSKUFZXMD-NEWSRXKRSA-N 2 1 342.487 1.013 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000361000597 152275652 /nfs/dbraw/zinc/27/56/52/152275652.db2.gz YYRSFSSKUFZXMD-NEWSRXKRSA-N 2 1 342.487 1.013 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000361000597 152275654 /nfs/dbraw/zinc/27/56/54/152275654.db2.gz YYRSFSSKUFZXMD-NEWSRXKRSA-N 2 1 342.487 1.013 20 0 EDADMP CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000361432485 152393999 /nfs/dbraw/zinc/39/39/99/152393999.db2.gz OVHPQEAHAZOOBI-JFIYKMOQSA-N 2 1 326.481 1.887 20 0 EDADMP CCOC(=O)[C@](C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000361432485 152394001 /nfs/dbraw/zinc/39/40/01/152394001.db2.gz OVHPQEAHAZOOBI-JFIYKMOQSA-N 2 1 326.481 1.887 20 0 EDADMP CCOC(=O)[C@](C)(O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000361432485 152394003 /nfs/dbraw/zinc/39/40/03/152394003.db2.gz OVHPQEAHAZOOBI-JFIYKMOQSA-N 2 1 326.481 1.887 20 0 EDADMP CCOC(=O)[C@](C)(O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000361432485 152394005 /nfs/dbraw/zinc/39/40/05/152394005.db2.gz OVHPQEAHAZOOBI-JFIYKMOQSA-N 2 1 326.481 1.887 20 0 EDADMP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000361441420 152396772 /nfs/dbraw/zinc/39/67/72/152396772.db2.gz ACHBIXOFPDVRFI-RTBURBONSA-N 2 1 336.451 1.962 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2F)CC1 ZINC000574150855 306643426 /nfs/dbraw/zinc/64/34/26/306643426.db2.gz HJMVASXATVEZCO-KRWDZBQOSA-N 2 1 340.439 1.404 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1ncnc2c1CN(C)CC2 ZINC000363589870 153007981 /nfs/dbraw/zinc/00/79/81/153007981.db2.gz WOCAITXTESASFA-INMHGKMJSA-N 2 1 345.491 1.766 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000364349436 153213334 /nfs/dbraw/zinc/21/33/34/153213334.db2.gz AIBUUNYNMVLJBY-LTIDMASMSA-N 2 1 328.497 1.641 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1 ZINC000364776973 153330715 /nfs/dbraw/zinc/33/07/15/153330715.db2.gz DEHZHEXOQVOZRK-UHFFFAOYSA-N 2 1 338.540 1.783 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000417226282 304385920 /nfs/dbraw/zinc/38/59/20/304385920.db2.gz ZLJXQSIELQYISH-VVLHAWIVSA-N 2 1 336.524 1.994 20 0 EDADMP C[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000366275789 153767927 /nfs/dbraw/zinc/76/79/27/153767927.db2.gz ZMADMABGMJUVPC-UHFFFAOYSA-N 2 1 343.518 1.585 20 0 EDADMP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367116974 154013867 /nfs/dbraw/zinc/01/38/67/154013867.db2.gz JVAZANZORVFSJR-GOSISDBHSA-N 2 1 338.540 1.594 20 0 EDADMP CCCN(CCC)C(=O)C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367116974 154013869 /nfs/dbraw/zinc/01/38/69/154013869.db2.gz JVAZANZORVFSJR-GOSISDBHSA-N 2 1 338.540 1.594 20 0 EDADMP c1nnn(-c2ccccc2)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000367402087 154106801 /nfs/dbraw/zinc/10/68/01/154106801.db2.gz OYWPOGLMZRMPNF-UHFFFAOYSA-N 2 1 341.459 1.812 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367654670 154215921 /nfs/dbraw/zinc/21/59/21/154215921.db2.gz AYZKMXXLLNLVRD-JZXOWHBKSA-N 2 1 338.540 1.780 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367654670 154215922 /nfs/dbraw/zinc/21/59/22/154215922.db2.gz AYZKMXXLLNLVRD-JZXOWHBKSA-N 2 1 338.540 1.780 20 0 EDADMP C[N@H+](C[C@H](O)COc1ccccc1F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367721197 154243582 /nfs/dbraw/zinc/24/35/82/154243582.db2.gz NYKIHPKRZIBEJN-CABCVRRESA-N 2 1 333.407 1.956 20 0 EDADMP C[N@@H+](C[C@H](O)COc1ccccc1F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367721197 154243583 /nfs/dbraw/zinc/24/35/83/154243583.db2.gz NYKIHPKRZIBEJN-CABCVRRESA-N 2 1 333.407 1.956 20 0 EDADMP Cc1[nH+]c(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c2n1CCCC2 ZINC000367900074 154317570 /nfs/dbraw/zinc/31/75/70/154317570.db2.gz DYVSVPWRHKYAEQ-YOEHRIQHSA-N 2 1 331.464 1.763 20 0 EDADMP Cc1[nH+]c(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c2n1CCCC2 ZINC000367900074 154317572 /nfs/dbraw/zinc/31/75/72/154317572.db2.gz DYVSVPWRHKYAEQ-YOEHRIQHSA-N 2 1 331.464 1.763 20 0 EDADMP C[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000417375805 304395586 /nfs/dbraw/zinc/39/55/86/304395586.db2.gz ZRECHBCOXCFCRY-GJZGRUSLSA-N 2 1 336.505 1.963 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000371569149 156008039 /nfs/dbraw/zinc/00/80/39/156008039.db2.gz DSQWGGDLXMTIGF-MSOLQXFVSA-N 2 1 336.524 1.489 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000371675446 156057969 /nfs/dbraw/zinc/05/79/69/156057969.db2.gz HLXQZAJGTBQYBO-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371675446 156057972 /nfs/dbraw/zinc/05/79/72/156057972.db2.gz HLXQZAJGTBQYBO-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371675446 156057976 /nfs/dbraw/zinc/05/79/76/156057976.db2.gz HLXQZAJGTBQYBO-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371675446 156057979 /nfs/dbraw/zinc/05/79/79/156057979.db2.gz HLXQZAJGTBQYBO-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371675446 156057980 /nfs/dbraw/zinc/05/79/80/156057980.db2.gz HLXQZAJGTBQYBO-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372055813 156226991 /nfs/dbraw/zinc/22/69/91/156226991.db2.gz VKASFVGPXSFESC-NCXUSEDFSA-N 3 1 341.540 1.822 20 0 EDADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000372055813 156226998 /nfs/dbraw/zinc/22/69/98/156226998.db2.gz VKASFVGPXSFESC-NCXUSEDFSA-N 2 1 341.540 1.822 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000372146599 156240278 /nfs/dbraw/zinc/24/02/78/156240278.db2.gz NJJJUJUMMSUXMP-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000372407263 156375394 /nfs/dbraw/zinc/37/53/94/156375394.db2.gz NNULECYIAXYWNK-OAHLLOKOSA-N 2 1 343.475 1.996 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000365534862 292352790 /nfs/dbraw/zinc/35/27/90/292352790.db2.gz GOIJWUYYSVXCPX-UHFFFAOYSA-N 2 1 333.476 1.933 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374298190 157229934 /nfs/dbraw/zinc/22/99/34/157229934.db2.gz UKDPNJANNAWMTD-CRAIPNDOSA-N 2 1 330.476 1.243 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374298190 157229936 /nfs/dbraw/zinc/22/99/36/157229936.db2.gz UKDPNJANNAWMTD-CRAIPNDOSA-N 2 1 330.476 1.243 20 0 EDADMP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374512063 157312795 /nfs/dbraw/zinc/31/27/95/157312795.db2.gz FKDOHFQRNLDILW-BDXSIMOUSA-N 2 1 337.508 1.412 20 0 EDADMP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374512063 157312799 /nfs/dbraw/zinc/31/27/99/157312799.db2.gz FKDOHFQRNLDILW-BDXSIMOUSA-N 2 1 337.508 1.412 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000378211402 158110927 /nfs/dbraw/zinc/11/09/27/158110927.db2.gz PUQDIUHDTWWXQR-MAUKXSAKSA-N 2 1 327.472 1.907 20 0 EDADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378309826 158135578 /nfs/dbraw/zinc/13/55/78/158135578.db2.gz BXUPDVFQPUUJFK-IEBWSBKVSA-N 2 1 344.503 1.973 20 0 EDADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000378321713 158140199 /nfs/dbraw/zinc/14/01/99/158140199.db2.gz UJYPKSJVGUNSBP-YZGWKJHDSA-N 2 1 331.504 1.986 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000378422084 158169089 /nfs/dbraw/zinc/16/90/89/158169089.db2.gz AQZUXZLZDXEOFI-HOCLYGCPSA-N 2 1 335.496 1.528 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3nccn3CC(F)(F)F)C[C@H]21 ZINC000378448947 158176853 /nfs/dbraw/zinc/17/68/53/158176853.db2.gz MCRNVQQGHPTEQU-VXGBXAGGSA-N 2 1 345.369 1.681 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000378451573 158177920 /nfs/dbraw/zinc/17/79/20/158177920.db2.gz JYBOXCBXPPCDPA-IRXDYDNUSA-N 2 1 336.480 1.048 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC2)c1 ZINC000351486823 161805014 /nfs/dbraw/zinc/80/50/14/161805014.db2.gz BHSUIHVNROHXCQ-QXAKKESOSA-N 2 1 342.487 1.313 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC2)c1 ZINC000351486823 161805017 /nfs/dbraw/zinc/80/50/17/161805017.db2.gz BHSUIHVNROHXCQ-QXAKKESOSA-N 2 1 342.487 1.313 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000073589850 287261762 /nfs/dbraw/zinc/26/17/62/287261762.db2.gz TZMFOVKNFFSGPI-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000073589850 287261763 /nfs/dbraw/zinc/26/17/63/287261763.db2.gz TZMFOVKNFFSGPI-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000075328988 287276295 /nfs/dbraw/zinc/27/62/95/287276295.db2.gz FJMLMYDKUHKOBY-SJLPKXTDSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000078588121 287294462 /nfs/dbraw/zinc/29/44/62/287294462.db2.gz ZOIORERWABZZNM-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N(C)CCCn2cc[nH+]c2C)CC1 ZINC000122083172 287377327 /nfs/dbraw/zinc/37/73/27/287377327.db2.gz GMHIGVGDPLIFGN-UHFFFAOYSA-N 2 1 337.468 1.334 20 0 EDADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CCOCC1 ZINC000123462214 222281375 /nfs/dbraw/zinc/28/13/75/222281375.db2.gz QOJSKGJCUDBEOT-BDXSIMOUSA-N 2 1 325.497 1.186 20 0 EDADMP CCCN(CCC)C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347218 452522902 /nfs/dbraw/zinc/52/29/02/452522902.db2.gz VYJVUUIXTXFYOT-ULQDDVLXSA-N 2 1 325.497 1.853 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C3([NH3+])CCOCC3)c2)CCO1 ZINC000261662725 273017139 /nfs/dbraw/zinc/01/71/39/273017139.db2.gz BGOLHPDEFUKDQC-HNNXBMFYSA-N 2 1 347.459 1.031 20 0 EDADMP CC[NH+](CC)CCOCC[N@H+](Cc1ccccc1)C[C@H](O)COC ZINC000273111698 273029227 /nfs/dbraw/zinc/02/92/27/273029227.db2.gz XNRXLOUEKWZMQR-IBGZPJMESA-N 2 1 338.492 1.854 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275514855 268353975 /nfs/dbraw/zinc/35/39/75/268353975.db2.gz UDCROTCNMUSOMQ-INIZCTEOSA-N 2 1 346.475 1.330 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000275963374 268387796 /nfs/dbraw/zinc/38/77/96/268387796.db2.gz WBSXDEGVEHZZDM-ZBFHGGJFSA-N 2 1 325.478 1.036 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000275963374 268387799 /nfs/dbraw/zinc/38/77/99/268387799.db2.gz WBSXDEGVEHZZDM-ZBFHGGJFSA-N 2 1 325.478 1.036 20 0 EDADMP CC(C)(C)[C@H](CCO)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000274125083 273071278 /nfs/dbraw/zinc/07/12/78/273071278.db2.gz BDELONPPGFSBHN-SFHVURJKSA-N 2 1 347.503 1.718 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274193815 273076451 /nfs/dbraw/zinc/07/64/51/273076451.db2.gz GJCYYZNQVRHUMX-LMMKCTJWSA-N 2 1 345.487 1.591 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000280395770 273357744 /nfs/dbraw/zinc/35/77/44/273357744.db2.gz XEHMJWBHDMWUFF-UHFFFAOYSA-N 2 1 343.475 1.607 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284127898 274089698 /nfs/dbraw/zinc/08/96/98/274089698.db2.gz OBXSTGIPJCGJSA-HNNXBMFYSA-N 2 1 348.491 1.211 20 0 EDADMP C[C@@H]1C[N@H+]([C@@H]2Cc3ccccc3[C@H]2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371472957 274359182 /nfs/dbraw/zinc/35/91/82/274359182.db2.gz JGKRWKWFRBDADJ-XWPNQZOQSA-N 2 1 329.488 1.603 20 0 EDADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354933482 274500020 /nfs/dbraw/zinc/50/00/20/274500020.db2.gz GMFWJMFDADFTAH-RBSFLKMASA-N 2 1 347.442 1.334 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000353505586 276008348 /nfs/dbraw/zinc/00/83/48/276008348.db2.gz HYBOKJRZGZDBQA-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000353505586 276008350 /nfs/dbraw/zinc/00/83/50/276008350.db2.gz HYBOKJRZGZDBQA-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP CC[N@@H+](CCCO)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000270709740 276124146 /nfs/dbraw/zinc/12/41/46/276124146.db2.gz HRHPEIRMSWPKLF-AEFFLSMTSA-N 2 1 333.476 1.470 20 0 EDADMP CC[NH+](CCCO)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000270709740 276124148 /nfs/dbraw/zinc/12/41/48/276124148.db2.gz HRHPEIRMSWPKLF-AEFFLSMTSA-N 2 1 333.476 1.470 20 0 EDADMP CC[NH+](CCCO)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000270709740 276124150 /nfs/dbraw/zinc/12/41/50/276124150.db2.gz HRHPEIRMSWPKLF-AEFFLSMTSA-N 2 1 333.476 1.470 20 0 EDADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351858941 276136852 /nfs/dbraw/zinc/13/68/52/276136852.db2.gz FAHNMSLXTAUQBP-HRCADAONSA-N 2 1 347.459 1.344 20 0 EDADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351858941 276136853 /nfs/dbraw/zinc/13/68/53/276136853.db2.gz FAHNMSLXTAUQBP-HRCADAONSA-N 2 1 347.459 1.344 20 0 EDADMP CC1CC[NH+](CCN2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)CC1 ZINC000368396294 276197013 /nfs/dbraw/zinc/19/70/13/276197013.db2.gz BEUWBVRNPZUYOP-OALUTQOASA-N 2 1 338.540 1.055 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCn3cnc4ccccc4c3=O)CC[C@H]21 ZINC000246881794 277083522 /nfs/dbraw/zinc/08/35/22/277083522.db2.gz LTTWBCPNLZNMGE-MAUKXSAKSA-N 2 1 326.444 1.813 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCn3cnc4ccccc4c3=O)CC[C@H]21 ZINC000246881794 277083523 /nfs/dbraw/zinc/08/35/23/277083523.db2.gz LTTWBCPNLZNMGE-MAUKXSAKSA-N 2 1 326.444 1.813 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCn3cnc4ccccc4c3=O)CC[C@H]21 ZINC000246881794 277083524 /nfs/dbraw/zinc/08/35/24/277083524.db2.gz LTTWBCPNLZNMGE-MAUKXSAKSA-N 2 1 326.444 1.813 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCn3cnc4ccccc4c3=O)CC[C@H]21 ZINC000246881794 277083526 /nfs/dbraw/zinc/08/35/26/277083526.db2.gz LTTWBCPNLZNMGE-MAUKXSAKSA-N 2 1 326.444 1.813 20 0 EDADMP COCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)c1ccccc1 ZINC000338239990 277215726 /nfs/dbraw/zinc/21/57/26/277215726.db2.gz STIOKFQIOWYJNK-QGZVFWFLSA-N 2 1 333.476 1.860 20 0 EDADMP COCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)c1ccccc1 ZINC000338239990 277215727 /nfs/dbraw/zinc/21/57/27/277215727.db2.gz STIOKFQIOWYJNK-QGZVFWFLSA-N 2 1 333.476 1.860 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)c2ccccc2OCC[NH+](C)C)[N@@H+](C)C1 ZINC000346698246 277349912 /nfs/dbraw/zinc/34/99/12/277349912.db2.gz KJHONFFMGVAJSV-CVEARBPZSA-N 2 1 349.475 1.418 20 0 EDADMP CC(C)C[N@H+]1CCCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000368988445 277389821 /nfs/dbraw/zinc/38/98/21/277389821.db2.gz FCBIAGWWESWIQS-INIZCTEOSA-N 2 1 333.480 1.612 20 0 EDADMP CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000346025917 277567510 /nfs/dbraw/zinc/56/75/10/277567510.db2.gz XAIVRCDTZVLVBY-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000130754645 278021342 /nfs/dbraw/zinc/02/13/42/278021342.db2.gz KDXRLILJDSBKAJ-AYBZRNKSSA-N 2 1 348.491 1.261 20 0 EDADMP CS[C@@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@@H]1N(C)C ZINC000337318960 278154596 /nfs/dbraw/zinc/15/45/96/278154596.db2.gz NJIMMOMJFQMAEF-DLBZAZTESA-N 2 1 328.570 1.380 20 0 EDADMP CS[C@@H]1CN(CCCN2CC[NH+](C(C)C)CC2)C[C@@H]1[NH+](C)C ZINC000337318960 278154598 /nfs/dbraw/zinc/15/45/98/278154598.db2.gz NJIMMOMJFQMAEF-DLBZAZTESA-N 2 1 328.570 1.380 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000361502826 278279757 /nfs/dbraw/zinc/27/97/57/278279757.db2.gz YSSKDENBVSPOST-DLBZAZTESA-N 2 1 337.508 1.726 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000361502826 278279758 /nfs/dbraw/zinc/27/97/58/278279758.db2.gz YSSKDENBVSPOST-DLBZAZTESA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000417087926 278970726 /nfs/dbraw/zinc/97/07/26/278970726.db2.gz IRMUBEQZEFLPHF-IRXDYDNUSA-N 2 1 333.480 1.714 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000457811762 279127752 /nfs/dbraw/zinc/12/77/52/279127752.db2.gz OBFUFPANSHNNDU-HZPDHXFCSA-N 2 1 328.501 1.109 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC000359556325 279177777 /nfs/dbraw/zinc/17/77/77/279177777.db2.gz VLXRVVIQVAORKA-INIZCTEOSA-N 2 1 340.512 1.023 20 0 EDADMP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1)[C@H]([NH3+])c1ccccc1 ZINC000181382902 279199777 /nfs/dbraw/zinc/19/97/77/279199777.db2.gz WPNSGHVRVZHMHX-XKQJLSEDSA-N 2 1 327.432 1.229 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430592665 279225593 /nfs/dbraw/zinc/22/55/93/279225593.db2.gz QXWPGIQPMYDQMF-ZIAGYGMSSA-N 2 1 335.448 1.248 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430592665 279225594 /nfs/dbraw/zinc/22/55/94/279225594.db2.gz QXWPGIQPMYDQMF-ZIAGYGMSSA-N 2 1 335.448 1.248 20 0 EDADMP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000338065805 279316432 /nfs/dbraw/zinc/31/64/32/279316432.db2.gz ADHBQHCXNNZPJW-XMTFNYHQSA-N 2 1 339.524 1.968 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000338065805 279316435 /nfs/dbraw/zinc/31/64/35/279316435.db2.gz ADHBQHCXNNZPJW-XMTFNYHQSA-N 2 1 339.524 1.968 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000338065805 279316437 /nfs/dbraw/zinc/31/64/37/279316437.db2.gz ADHBQHCXNNZPJW-XMTFNYHQSA-N 2 1 339.524 1.968 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000338065805 279316440 /nfs/dbraw/zinc/31/64/40/279316440.db2.gz ADHBQHCXNNZPJW-XMTFNYHQSA-N 2 1 339.524 1.968 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCSC1 ZINC000361916394 279328880 /nfs/dbraw/zinc/32/88/80/279328880.db2.gz QCCCVTUGOCZDJH-CVEARBPZSA-N 2 1 342.553 1.940 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000433451190 288162681 /nfs/dbraw/zinc/16/26/81/288162681.db2.gz BIUFZSMEDCUBOA-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000287193987 288177350 /nfs/dbraw/zinc/17/73/50/288177350.db2.gz OGCXOXPVLYRMQX-SJORKVTESA-N 2 1 348.491 1.215 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000287193987 288177355 /nfs/dbraw/zinc/17/73/55/288177355.db2.gz OGCXOXPVLYRMQX-SJORKVTESA-N 2 1 348.491 1.215 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000287193987 288177358 /nfs/dbraw/zinc/17/73/58/288177358.db2.gz OGCXOXPVLYRMQX-SJORKVTESA-N 2 1 348.491 1.215 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495913359 280013119 /nfs/dbraw/zinc/01/31/19/280013119.db2.gz QBSIRCTUSQDCQR-FUHWJXTLSA-N 2 1 336.480 1.133 20 0 EDADMP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245507921 280019904 /nfs/dbraw/zinc/01/99/04/280019904.db2.gz IQGPXELBLQSKSK-GOEBONIOSA-N 2 1 329.510 1.265 20 0 EDADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245507921 280019906 /nfs/dbraw/zinc/01/99/06/280019906.db2.gz IQGPXELBLQSKSK-GOEBONIOSA-N 2 1 329.510 1.265 20 0 EDADMP CCS(=O)(=O)NCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245507921 280019909 /nfs/dbraw/zinc/01/99/09/280019909.db2.gz IQGPXELBLQSKSK-GOEBONIOSA-N 2 1 329.510 1.265 20 0 EDADMP CCS(=O)(=O)NCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245507921 280019912 /nfs/dbraw/zinc/01/99/12/280019912.db2.gz IQGPXELBLQSKSK-GOEBONIOSA-N 2 1 329.510 1.265 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372911338 280103353 /nfs/dbraw/zinc/10/33/53/280103353.db2.gz WBGLOBXVESERSR-KURKYZTESA-N 2 1 329.444 1.098 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372911338 280103357 /nfs/dbraw/zinc/10/33/57/280103357.db2.gz WBGLOBXVESERSR-KURKYZTESA-N 2 1 329.444 1.098 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2ccc(C[NH3+])cc2)C[C@@H](C)O1 ZINC000246523858 288202982 /nfs/dbraw/zinc/20/29/82/288202982.db2.gz RLHQXHFURKIIGO-IIDMSEBBSA-N 2 1 331.460 1.859 20 0 EDADMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCC[NH+]1CCSCC1 ZINC000343989697 288290375 /nfs/dbraw/zinc/29/03/75/288290375.db2.gz JTMACMZQMZBWPN-HUUCEWRRSA-N 2 1 326.510 1.303 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCC[NH+]1CCSCC1 ZINC000343989697 288290377 /nfs/dbraw/zinc/29/03/77/288290377.db2.gz JTMACMZQMZBWPN-HUUCEWRRSA-N 2 1 326.510 1.303 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000287849954 288338012 /nfs/dbraw/zinc/33/80/12/288338012.db2.gz DQADKGPZENCMJX-LZLYRXPVSA-N 2 1 348.491 1.386 20 0 EDADMP CC(C[NH+]1CC[C@@H](n2cccn2)C1)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291688120 289150837 /nfs/dbraw/zinc/15/08/37/289150837.db2.gz HGHHKVAZDZJSRS-QZTJIDSGSA-N 2 1 328.464 1.910 20 0 EDADMP COC[C@]1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC[NH2+]C1 ZINC000423357210 293266213 /nfs/dbraw/zinc/26/62/13/293266213.db2.gz LUKDTWSOVQIEPO-LMMKCTJWSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H](CC[NH3+])C(F)F)C[C@@H](C)O1 ZINC000418710075 297015444 /nfs/dbraw/zinc/01/54/44/297015444.db2.gz LFVBIQSVXAPJET-MQYQWHSLSA-N 2 1 348.438 1.252 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC(C)(C)[NH3+] ZINC000662292775 453017104 /nfs/dbraw/zinc/01/71/04/453017104.db2.gz LTVBIWGHRITKIP-UHFFFAOYSA-N 2 1 326.828 1.437 20 0 EDADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000365375008 300311095 /nfs/dbraw/zinc/31/10/95/300311095.db2.gz DCZCAVNEJBLMFT-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000651195233 453346090 /nfs/dbraw/zinc/34/60/90/453346090.db2.gz GBIFLGNJCLTVSA-HOTGVXAUSA-N 2 1 328.501 1.061 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000171897788 302945593 /nfs/dbraw/zinc/94/55/93/302945593.db2.gz LPQHUDSGFXDGSE-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H](CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C[NH+](C)C ZINC000293967983 303045821 /nfs/dbraw/zinc/04/58/21/303045821.db2.gz WQFHPBAOAYNIJD-FUHWJXTLSA-N 2 1 333.476 1.591 20 0 EDADMP C[C@@H](CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C[NH+](C)C ZINC000293967983 303045822 /nfs/dbraw/zinc/04/58/22/303045822.db2.gz WQFHPBAOAYNIJD-FUHWJXTLSA-N 2 1 333.476 1.591 20 0 EDADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295045523 303167139 /nfs/dbraw/zinc/16/71/39/303167139.db2.gz GFRGGFQYWDGQDN-INIZCTEOSA-N 2 1 331.420 1.354 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414875751 447339166 /nfs/dbraw/zinc/33/91/66/447339166.db2.gz JMQOIXPPUNHFIJ-CYBMUJFWSA-N 2 1 332.448 1.117 20 0 EDADMP C[N@@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC000414873033 447337099 /nfs/dbraw/zinc/33/70/99/447337099.db2.gz GKVXUWRIQUUDAI-UHFFFAOYSA-N 2 1 344.459 1.609 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)CCCN2CCC([NH3+])CC2)cc1 ZINC000423717940 304905748 /nfs/dbraw/zinc/90/57/48/304905748.db2.gz APULOUSHJOADRY-UHFFFAOYSA-N 2 1 332.492 1.568 20 0 EDADMP [NH3+]CCCOC1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000430569183 305056098 /nfs/dbraw/zinc/05/60/98/305056098.db2.gz DSNOCJRPLJODIU-KRWDZBQOSA-N 2 1 347.459 1.456 20 0 EDADMP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430585508 305057110 /nfs/dbraw/zinc/05/71/10/305057110.db2.gz QLVXFTPECGCLGY-AWEZNQCLSA-N 2 1 349.475 1.422 20 0 EDADMP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430585508 305057111 /nfs/dbraw/zinc/05/71/11/305057111.db2.gz QLVXFTPECGCLGY-AWEZNQCLSA-N 2 1 349.475 1.422 20 0 EDADMP [NH3+]CC1CC[NH+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000430604332 305058199 /nfs/dbraw/zinc/05/81/99/305058199.db2.gz MURWYHAITNKUNY-UHFFFAOYSA-N 2 1 330.432 1.188 20 0 EDADMP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430605463 305058428 /nfs/dbraw/zinc/05/84/28/305058428.db2.gz RAVUXFLOYVIDEU-CQSZACIVSA-N 2 1 341.402 1.917 20 0 EDADMP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430605463 305058429 /nfs/dbraw/zinc/05/84/29/305058429.db2.gz RAVUXFLOYVIDEU-CQSZACIVSA-N 2 1 341.402 1.917 20 0 EDADMP COc1ccc(OCCC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430604566 305058462 /nfs/dbraw/zinc/05/84/62/305058462.db2.gz NVLVNJWRVKEOEK-HNNXBMFYSA-N 2 1 335.448 1.251 20 0 EDADMP Cc1cccc(C)c1OCCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430608865 305058482 /nfs/dbraw/zinc/05/84/82/305058482.db2.gz GJIAZEMUSKNHIX-QGZVFWFLSA-N 2 1 333.476 1.859 20 0 EDADMP [NH3+]C[C@@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430631994 305060303 /nfs/dbraw/zinc/06/03/03/305060303.db2.gz WDZPNIWITYWYIF-SFHVURJKSA-N 2 1 330.476 1.002 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000430917267 305068023 /nfs/dbraw/zinc/06/80/23/305068023.db2.gz YGENKYLLEIGTLG-MSOLQXFVSA-N 2 1 349.475 1.191 20 0 EDADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccnn2Cc2cccs2)CC1 ZINC000430943501 305069812 /nfs/dbraw/zinc/06/98/12/305069812.db2.gz PGVLMDISKXGSOL-CYBMUJFWSA-N 2 1 347.488 1.991 20 0 EDADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccccc2N2CCCC2=O)CC1 ZINC000430958681 305070919 /nfs/dbraw/zinc/07/09/19/305070919.db2.gz YUSMATPQSMDFMR-AWEZNQCLSA-N 2 1 344.459 1.811 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCCC2)CCCO1 ZINC000431205109 305076605 /nfs/dbraw/zinc/07/66/05/305076605.db2.gz XDIYXWPLCODDQK-MRXNPFEDSA-N 2 1 326.485 1.272 20 0 EDADMP [NH3+]C1CCN(CCCC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000433142389 305101509 /nfs/dbraw/zinc/10/15/09/305101509.db2.gz UBINBOLITVZKEL-UHFFFAOYSA-N 2 1 336.524 1.713 20 0 EDADMP C[NH+](C)CCc1ccc(NC(=O)CCCN2CCC([NH3+])CC2)cc1 ZINC000433174689 305102332 /nfs/dbraw/zinc/10/23/32/305102332.db2.gz JYDOHBFVUFDBHI-UHFFFAOYSA-N 2 1 332.492 1.933 20 0 EDADMP C[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[N@H+]1CCCC[C@H]1C ZINC000433387916 305107550 /nfs/dbraw/zinc/10/75/50/305107550.db2.gz SHNHSHZXGDTRDD-OWCLPIDISA-N 2 1 333.480 1.800 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000433923402 305114668 /nfs/dbraw/zinc/11/46/68/305114668.db2.gz ANCLCIQMWQDPCQ-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000433923402 305114669 /nfs/dbraw/zinc/11/46/69/305114669.db2.gz ANCLCIQMWQDPCQ-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000435376141 305139350 /nfs/dbraw/zinc/13/93/50/305139350.db2.gz PTBOXMITYFRCJE-HIFRSBDPSA-N 2 1 335.448 1.379 20 0 EDADMP CCN(C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436057726 305151651 /nfs/dbraw/zinc/15/16/51/305151651.db2.gz WTFBKDFVDQGZRQ-QGZVFWFLSA-N 2 1 346.475 1.359 20 0 EDADMP CCN(C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436057726 305151652 /nfs/dbraw/zinc/15/16/52/305151652.db2.gz WTFBKDFVDQGZRQ-QGZVFWFLSA-N 2 1 346.475 1.359 20 0 EDADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[NH+]1CCSCC1 ZINC000439288539 305196093 /nfs/dbraw/zinc/19/60/93/305196093.db2.gz VYKXYHSUCDNHRL-CABCVRRESA-N 2 1 326.510 1.303 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[NH+]1CCSCC1 ZINC000439288539 305196094 /nfs/dbraw/zinc/19/60/94/305196094.db2.gz VYKXYHSUCDNHRL-CABCVRRESA-N 2 1 326.510 1.303 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000441020910 305216705 /nfs/dbraw/zinc/21/67/05/305216705.db2.gz PCQAZAIZRQJYFP-HNNXBMFYSA-N 2 1 327.517 1.042 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000441020910 305216706 /nfs/dbraw/zinc/21/67/06/305216706.db2.gz PCQAZAIZRQJYFP-HNNXBMFYSA-N 2 1 327.517 1.042 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441020910 305216707 /nfs/dbraw/zinc/21/67/07/305216707.db2.gz PCQAZAIZRQJYFP-HNNXBMFYSA-N 2 1 327.517 1.042 20 0 EDADMP CCOC(=O)CNC(=O)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000441119623 305217572 /nfs/dbraw/zinc/21/75/72/305217572.db2.gz OQQXARDOLNBUKK-INIZCTEOSA-N 2 1 339.480 1.252 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443055894 305234249 /nfs/dbraw/zinc/23/42/49/305234249.db2.gz BXULOGXTADARAO-CYBMUJFWSA-N 2 1 334.420 1.404 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NCC[N@H+]1CCCOCC1)Cc1ccccc1 ZINC000446572163 305267099 /nfs/dbraw/zinc/26/70/99/305267099.db2.gz MSWHGSNLUCMBNI-SFHVURJKSA-N 2 1 348.491 1.181 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C(C)C)C2)C1 ZINC000446719817 305269943 /nfs/dbraw/zinc/26/99/43/305269943.db2.gz JXGDSOTVHFHCQO-DLBZAZTESA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C(C)C)C2)C1 ZINC000446719817 305269944 /nfs/dbraw/zinc/26/99/44/305269944.db2.gz JXGDSOTVHFHCQO-DLBZAZTESA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C(C)C)C2)C1 ZINC000446719817 305269945 /nfs/dbraw/zinc/26/99/45/305269945.db2.gz JXGDSOTVHFHCQO-DLBZAZTESA-N 2 1 325.497 1.437 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000447957264 305289541 /nfs/dbraw/zinc/28/95/41/305289541.db2.gz XXFYARJJWYJUMK-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447957264 305289542 /nfs/dbraw/zinc/28/95/42/305289542.db2.gz XXFYARJJWYJUMK-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447957264 305289543 /nfs/dbraw/zinc/28/95/43/305289543.db2.gz XXFYARJJWYJUMK-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000448253062 305294674 /nfs/dbraw/zinc/29/46/74/305294674.db2.gz VIJHWMYNYHZRJA-CVEARBPZSA-N 2 1 340.512 1.253 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449134866 305307500 /nfs/dbraw/zinc/30/75/00/305307500.db2.gz LWVNKKNWPWVBRW-HNNXBMFYSA-N 2 1 333.480 1.675 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449134866 305307501 /nfs/dbraw/zinc/30/75/01/305307501.db2.gz LWVNKKNWPWVBRW-HNNXBMFYSA-N 2 1 333.480 1.675 20 0 EDADMP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000449694955 305317126 /nfs/dbraw/zinc/31/71/26/305317126.db2.gz HUTOVKRKBJTLML-MSOLQXFVSA-N 2 1 348.466 1.200 20 0 EDADMP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000449694955 305317127 /nfs/dbraw/zinc/31/71/27/305317127.db2.gz HUTOVKRKBJTLML-MSOLQXFVSA-N 2 1 348.466 1.200 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)C(C)C)C2)CC1 ZINC000451523855 305351059 /nfs/dbraw/zinc/35/10/59/305351059.db2.gz AWGOXXFHQDCTIA-MSOLQXFVSA-N 2 1 325.497 1.270 20 0 EDADMP CCOC(=O)CCN1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527246 305351219 /nfs/dbraw/zinc/35/12/19/305351219.db2.gz DESCYPVZCRQLHP-KRWDZBQOSA-N 2 1 339.480 1.206 20 0 EDADMP C[NH+]1CCN(C(=O)CN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000451889933 305372091 /nfs/dbraw/zinc/37/20/91/305372091.db2.gz LVONOWXSSIMLRX-UHFFFAOYSA-N 2 1 338.540 1.593 20 0 EDADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCn2ccnc21 ZINC000453184551 305406395 /nfs/dbraw/zinc/40/63/95/305406395.db2.gz PJIKRLUKZZHSMH-IRXDYDNUSA-N 2 1 341.459 1.207 20 0 EDADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCCC[NH+]1CCOCC1 ZINC000479540847 305544174 /nfs/dbraw/zinc/54/41/74/305544174.db2.gz FYORTPDBYKYECI-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000377791474 447357509 /nfs/dbraw/zinc/35/75/09/447357509.db2.gz FNAUSFFVGAEGTC-IRXDYDNUSA-N 2 1 339.528 1.138 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377791474 447357517 /nfs/dbraw/zinc/35/75/17/447357517.db2.gz FNAUSFFVGAEGTC-IRXDYDNUSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000512433349 305698972 /nfs/dbraw/zinc/69/89/72/305698972.db2.gz YQJUQYOSMCELBM-ZJIFWQFVSA-N 2 1 326.485 1.220 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000528529228 305876151 /nfs/dbraw/zinc/87/61/51/305876151.db2.gz WNYYJBNKBYTVFX-UHFFFAOYSA-N 2 1 342.443 1.983 20 0 EDADMP O=C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1ccc(F)cc1 ZINC000530238169 305935413 /nfs/dbraw/zinc/93/54/13/305935413.db2.gz KKLSTJWRILWVFD-QGZVFWFLSA-N 2 1 335.423 1.855 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@H+]1C1CC1 ZINC000414945775 447367170 /nfs/dbraw/zinc/36/71/70/447367170.db2.gz SCRVZTKHAMUDBP-MLGOLLRUSA-N 2 1 342.443 1.012 20 0 EDADMP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C(C)(C)C1 ZINC000536589389 306023421 /nfs/dbraw/zinc/02/34/21/306023421.db2.gz BCZPUSNYXYQKMA-KRWDZBQOSA-N 2 1 330.476 1.846 20 0 EDADMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C(C)(C)C1 ZINC000536589389 306023422 /nfs/dbraw/zinc/02/34/22/306023422.db2.gz BCZPUSNYXYQKMA-KRWDZBQOSA-N 2 1 330.476 1.846 20 0 EDADMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C(C)(C)C1 ZINC000536589389 306023423 /nfs/dbraw/zinc/02/34/23/306023423.db2.gz BCZPUSNYXYQKMA-KRWDZBQOSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000537818876 306029570 /nfs/dbraw/zinc/02/95/70/306029570.db2.gz JLZBAEGZVXHBKK-GJYPPUQNSA-N 2 1 331.460 1.174 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000537818876 306029571 /nfs/dbraw/zinc/02/95/71/306029571.db2.gz JLZBAEGZVXHBKK-GJYPPUQNSA-N 2 1 331.460 1.174 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000537818876 306029572 /nfs/dbraw/zinc/02/95/72/306029572.db2.gz JLZBAEGZVXHBKK-GJYPPUQNSA-N 2 1 331.460 1.174 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000537818876 306029573 /nfs/dbraw/zinc/02/95/73/306029573.db2.gz JLZBAEGZVXHBKK-GJYPPUQNSA-N 2 1 331.460 1.174 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c[nH]1 ZINC000539864188 306037985 /nfs/dbraw/zinc/03/79/85/306037985.db2.gz UKQLIAHHBFLJPJ-INIZCTEOSA-N 2 1 334.464 1.402 20 0 EDADMP CN(CCC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc[nH+]cc1 ZINC000541856498 306048192 /nfs/dbraw/zinc/04/81/92/306048192.db2.gz MBSYPUMYKGFDMG-MSOLQXFVSA-N 2 1 346.475 1.668 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000545176078 306081213 /nfs/dbraw/zinc/08/12/13/306081213.db2.gz YMDIFAGYMNVFNA-YJBOKZPZSA-N 2 1 340.512 1.253 20 0 EDADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000545176078 306081214 /nfs/dbraw/zinc/08/12/14/306081214.db2.gz YMDIFAGYMNVFNA-YJBOKZPZSA-N 2 1 340.512 1.253 20 0 EDADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000545176078 306081215 /nfs/dbraw/zinc/08/12/15/306081215.db2.gz YMDIFAGYMNVFNA-YJBOKZPZSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)C[C@H](C)O1 ZINC000553076569 306182467 /nfs/dbraw/zinc/18/24/67/306182467.db2.gz RTZHSNULLBARMM-IYBDPMFKSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)C[C@H](C)O1 ZINC000553076569 306182468 /nfs/dbraw/zinc/18/24/68/306182468.db2.gz RTZHSNULLBARMM-IYBDPMFKSA-N 2 1 337.508 1.676 20 0 EDADMP C[NH2+]CCN(C)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000557167178 306225300 /nfs/dbraw/zinc/22/53/00/306225300.db2.gz KPUZCAWSJRMUEW-WBVHZDCISA-N 2 1 334.464 1.137 20 0 EDADMP C[NH2+]CCN(C)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000557167178 306225301 /nfs/dbraw/zinc/22/53/01/306225301.db2.gz KPUZCAWSJRMUEW-WBVHZDCISA-N 2 1 334.464 1.137 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000414946842 447369462 /nfs/dbraw/zinc/36/94/62/447369462.db2.gz TYZINSHIPBUQQG-RHSMWYFYSA-N 2 1 346.475 1.580 20 0 EDADMP COC[C@]1(CNCc2nc3c(s2)C[N@H+](C(C)C)CC3)CCC[NH2+]1 ZINC000414949220 447370692 /nfs/dbraw/zinc/37/06/92/447370692.db2.gz ZENDIGHUEYSJAF-QGZVFWFLSA-N 2 1 338.521 1.768 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)NC(C)(C)C[NH+](C)C)CC2)[nH+]c1 ZINC000458442732 447370775 /nfs/dbraw/zinc/37/07/75/447370775.db2.gz ZAZCAKCVOOIUPY-UHFFFAOYSA-N 2 1 333.480 1.998 20 0 EDADMP [NH3+][C@H](CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CC1 ZINC000414963532 447374995 /nfs/dbraw/zinc/37/49/95/447374995.db2.gz KXNYYKXUYYLGBS-QGZVFWFLSA-N 2 1 332.448 1.420 20 0 EDADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414977558 447381411 /nfs/dbraw/zinc/38/14/11/447381411.db2.gz QHPVUMGSZDTKSC-DZGCQCFKSA-N 2 1 338.883 1.859 20 0 EDADMP C[NH2+]Cc1ccc(NCc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000414976450 447382101 /nfs/dbraw/zinc/38/21/01/447382101.db2.gz NVCBHRQPMRMNSD-UHFFFAOYSA-N 2 1 326.448 1.560 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000449708045 447389050 /nfs/dbraw/zinc/38/90/50/447389050.db2.gz FQWMLNQZROPWCS-DLBZAZTESA-N 2 1 335.423 1.285 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000449708045 447389054 /nfs/dbraw/zinc/38/90/54/447389054.db2.gz FQWMLNQZROPWCS-DLBZAZTESA-N 2 1 335.423 1.285 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419779592 447408021 /nfs/dbraw/zinc/40/80/21/447408021.db2.gz PLERDHWPDGAHHU-CQSZACIVSA-N 2 1 338.496 1.001 20 0 EDADMP C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000378264565 447411013 /nfs/dbraw/zinc/41/10/13/447411013.db2.gz RUIUXQXZFANPDP-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000378264565 447411015 /nfs/dbraw/zinc/41/10/15/447411015.db2.gz RUIUXQXZFANPDP-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000378264565 447411022 /nfs/dbraw/zinc/41/10/22/447411022.db2.gz RUIUXQXZFANPDP-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000378264565 447411026 /nfs/dbraw/zinc/41/10/26/447411026.db2.gz RUIUXQXZFANPDP-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)c2ccccc2)CC1 ZINC000081283531 441247749 /nfs/dbraw/zinc/24/77/49/441247749.db2.gz PFONFSTZBPJCBO-MOPGFXCFSA-N 2 1 345.487 1.906 20 0 EDADMP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c2ccccc2)CC1 ZINC000081283531 441247753 /nfs/dbraw/zinc/24/77/53/441247753.db2.gz PFONFSTZBPJCBO-MOPGFXCFSA-N 2 1 345.487 1.906 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000063178347 441316737 /nfs/dbraw/zinc/31/67/37/441316737.db2.gz MANVSCLVQOQLBH-SNVBAGLBSA-N 2 1 346.294 1.798 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000063178347 441316741 /nfs/dbraw/zinc/31/67/41/441316741.db2.gz MANVSCLVQOQLBH-SNVBAGLBSA-N 2 1 346.294 1.798 20 0 EDADMP C[NH+]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000109934831 441511574 /nfs/dbraw/zinc/51/15/74/441511574.db2.gz WUZMNUCVDUPRGW-UHFFFAOYSA-N 2 1 344.503 1.536 20 0 EDADMP C[N@@H+](CCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C1CC1 ZINC000066923967 441588523 /nfs/dbraw/zinc/58/85/23/441588523.db2.gz KTCBWDTURDQUJX-UHFFFAOYSA-N 2 1 330.476 1.258 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCC[N@H+](C)C3CC3)cc2)CC1 ZINC000066923967 441588526 /nfs/dbraw/zinc/58/85/26/441588526.db2.gz KTCBWDTURDQUJX-UHFFFAOYSA-N 2 1 330.476 1.258 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCC[N@@H+](C)C3CC3)cc2)CC1 ZINC000066923967 441588531 /nfs/dbraw/zinc/58/85/31/441588531.db2.gz KTCBWDTURDQUJX-UHFFFAOYSA-N 2 1 330.476 1.258 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000113404451 441606994 /nfs/dbraw/zinc/60/69/94/441606994.db2.gz CQKZMYWPMUOMNO-KRWDZBQOSA-N 2 1 340.512 1.663 20 0 EDADMP C[NH+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000113454721 441609899 /nfs/dbraw/zinc/60/98/99/441609899.db2.gz DSDFDUOTDSLDPQ-MJGOQNOKSA-N 2 1 344.503 1.385 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000158189486 441703603 /nfs/dbraw/zinc/70/36/03/441703603.db2.gz KLOVHQALLGMSAR-KBPBESRZSA-N 2 1 325.478 1.587 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000158189486 441703613 /nfs/dbraw/zinc/70/36/13/441703613.db2.gz KLOVHQALLGMSAR-KBPBESRZSA-N 2 1 325.478 1.587 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000173410318 441740220 /nfs/dbraw/zinc/74/02/20/441740220.db2.gz SZBQHDGSJYHNIK-QGZVFWFLSA-N 2 1 338.496 1.225 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000173410318 441740221 /nfs/dbraw/zinc/74/02/21/441740221.db2.gz SZBQHDGSJYHNIK-QGZVFWFLSA-N 2 1 338.496 1.225 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000137167106 441751882 /nfs/dbraw/zinc/75/18/82/441751882.db2.gz GZSITGBUVUFCPF-HZPDHXFCSA-N 2 1 331.460 1.804 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000158761893 441762589 /nfs/dbraw/zinc/76/25/89/441762589.db2.gz PGPYASMSEZNPBS-AEFFLSMTSA-N 3 1 336.524 1.392 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+]C2(c3ccccc3)CC2)C1 ZINC000077378013 441767516 /nfs/dbraw/zinc/76/75/16/441767516.db2.gz SBKGEJCAWCVZDV-SFHVURJKSA-N 2 1 345.487 1.738 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000068277483 441767579 /nfs/dbraw/zinc/76/75/79/441767579.db2.gz UIHOLANFPWRUEW-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000115792503 441777462 /nfs/dbraw/zinc/77/74/62/441777462.db2.gz MARZCMKSUWJABC-IAGOWNOFSA-N 2 1 340.512 1.326 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000115792503 441777467 /nfs/dbraw/zinc/77/74/67/441777467.db2.gz MARZCMKSUWJABC-IAGOWNOFSA-N 2 1 340.512 1.326 20 0 EDADMP C[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000077825843 441871737 /nfs/dbraw/zinc/87/17/37/441871737.db2.gz OCVMIOZOYCUPLD-INIZCTEOSA-N 2 1 348.491 1.263 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000068595440 441828268 /nfs/dbraw/zinc/82/82/68/441828268.db2.gz BODAOUGZTFIRGX-JKSUJKDBSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000174280746 441910436 /nfs/dbraw/zinc/91/04/36/441910436.db2.gz RJDMLJLICJLUAA-SJORKVTESA-N 2 1 338.496 1.082 20 0 EDADMP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174716054 441956692 /nfs/dbraw/zinc/95/66/92/441956692.db2.gz JPKNIRAYKBVESZ-QGZVFWFLSA-N 2 1 332.492 1.891 20 0 EDADMP Cc1ccccc1CCNC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723650 441958932 /nfs/dbraw/zinc/95/89/32/441958932.db2.gz ZXPXPIFKVMWUGT-UHFFFAOYSA-N 2 1 346.519 1.223 20 0 EDADMP Cc1ccccc1CCNC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723650 441958940 /nfs/dbraw/zinc/95/89/40/441958940.db2.gz ZXPXPIFKVMWUGT-UHFFFAOYSA-N 2 1 346.519 1.223 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000174770116 441966216 /nfs/dbraw/zinc/96/62/16/441966216.db2.gz RJTASPIFWAUFGX-KRWDZBQOSA-N 2 1 331.460 1.270 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000174770116 441966218 /nfs/dbraw/zinc/96/62/18/441966218.db2.gz RJTASPIFWAUFGX-KRWDZBQOSA-N 2 1 331.460 1.270 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000174770116 441966223 /nfs/dbraw/zinc/96/62/23/441966223.db2.gz RJTASPIFWAUFGX-KRWDZBQOSA-N 2 1 331.460 1.270 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000174770116 441966228 /nfs/dbraw/zinc/96/62/28/441966228.db2.gz RJTASPIFWAUFGX-KRWDZBQOSA-N 2 1 331.460 1.270 20 0 EDADMP CC(C)c1nnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000450291045 447444687 /nfs/dbraw/zinc/44/46/87/447444687.db2.gz FODPIDVJRSHOCN-UHFFFAOYSA-N 2 1 330.436 2.212 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000078987208 442003597 /nfs/dbraw/zinc/00/35/97/442003597.db2.gz QLGWTHTVHNVGNO-IYBDPMFKSA-N 2 1 326.485 1.271 20 0 EDADMP CC1CC[NH+](C[C@H]2CCCN(CC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000120898520 442149011 /nfs/dbraw/zinc/14/90/11/442149011.db2.gz UHWPJVRIOSPTFW-GOSISDBHSA-N 2 1 336.524 1.204 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[N@@H+]1C1CC1 ZINC000151806928 442123887 /nfs/dbraw/zinc/12/38/87/442123887.db2.gz FWFSIXSBALXVAQ-BLLLJJGKSA-N 2 1 342.443 1.312 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[N@H+]1C1CC1 ZINC000151806928 442123889 /nfs/dbraw/zinc/12/38/89/442123889.db2.gz FWFSIXSBALXVAQ-BLLLJJGKSA-N 2 1 342.443 1.312 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C[NH+]1C1CC1 ZINC000151806928 442123894 /nfs/dbraw/zinc/12/38/94/442123894.db2.gz FWFSIXSBALXVAQ-BLLLJJGKSA-N 2 1 342.443 1.312 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C[NH+]1C1CC1 ZINC000151806928 442123899 /nfs/dbraw/zinc/12/38/99/442123899.db2.gz FWFSIXSBALXVAQ-BLLLJJGKSA-N 2 1 342.443 1.312 20 0 EDADMP CC(C)[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)N1CC[NH+](C)CC1 ZINC000426452830 447446388 /nfs/dbraw/zinc/44/63/88/447446388.db2.gz ZUGYSVUYUPGSAW-SFHVURJKSA-N 2 1 336.524 1.249 20 0 EDADMP COc1c(C)c[nH+]c(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1C ZINC000162500016 442098094 /nfs/dbraw/zinc/09/80/94/442098094.db2.gz RPOGQZAKLRNDSW-QGZVFWFLSA-N 2 1 346.475 1.445 20 0 EDADMP COc1c(C)c[nH+]c(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1C ZINC000162500016 442098097 /nfs/dbraw/zinc/09/80/97/442098097.db2.gz RPOGQZAKLRNDSW-QGZVFWFLSA-N 2 1 346.475 1.445 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176040699 442165820 /nfs/dbraw/zinc/16/58/20/442165820.db2.gz NTGXYIFCIVQOKI-UHFFFAOYSA-N 2 1 335.452 1.309 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176056794 442168243 /nfs/dbraw/zinc/16/82/43/442168243.db2.gz BVJQBRSLSBANGC-WBVHZDCISA-N 2 1 349.479 1.191 20 0 EDADMP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000170698901 442250722 /nfs/dbraw/zinc/25/07/22/442250722.db2.gz RBCFFNOQKWLOQJ-UHFFFAOYSA-N 2 1 345.491 1.998 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000152447101 442213847 /nfs/dbraw/zinc/21/38/47/442213847.db2.gz DWBIBGVWSBJDPS-UHFFFAOYSA-N 2 1 333.476 1.981 20 0 EDADMP COCC[NH2+]CCNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000152445991 442213859 /nfs/dbraw/zinc/21/38/59/442213859.db2.gz FTKSRGBKDJWEBD-UHFFFAOYSA-N 2 1 340.493 1.016 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000167251705 442219672 /nfs/dbraw/zinc/21/96/72/442219672.db2.gz MRWRLUPJSKWVJS-ROUUACIJSA-N 2 1 333.476 1.954 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000168708379 442224781 /nfs/dbraw/zinc/22/47/81/442224781.db2.gz DHFDSZSCTLXASJ-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CSCN3)c2)C[C@H](C)O1 ZINC000169200524 442225796 /nfs/dbraw/zinc/22/57/96/442225796.db2.gz SRADQLJUZWQSNH-XEZPLFJOSA-N 2 1 335.473 1.897 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000128529530 442272272 /nfs/dbraw/zinc/27/22/72/442272272.db2.gz UJDXSBVEXOINTL-UHFFFAOYSA-N 2 1 338.496 1.415 20 0 EDADMP C[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000170920179 442288857 /nfs/dbraw/zinc/28/88/57/442288857.db2.gz LJNPKJPWEGPZMQ-IBGZPJMESA-N 2 1 344.503 1.262 20 0 EDADMP CC(C)N(C(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1)C(C)C ZINC000129797731 442332166 /nfs/dbraw/zinc/33/21/66/442332166.db2.gz HGRVZDPIPFLGHJ-KRWDZBQOSA-N 2 1 326.529 1.590 20 0 EDADMP CC(C)[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)[NH+](C)C ZINC000154918148 442364407 /nfs/dbraw/zinc/36/44/07/442364407.db2.gz IRCGWEBIYYMWSZ-KRWDZBQOSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132977686 442403967 /nfs/dbraw/zinc/40/39/67/442403967.db2.gz MBWLRGRMDLKEIN-IBGZPJMESA-N 2 1 347.503 1.934 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132977686 442403971 /nfs/dbraw/zinc/40/39/71/442403971.db2.gz MBWLRGRMDLKEIN-IBGZPJMESA-N 2 1 347.503 1.934 20 0 EDADMP O=C(NC[C@@H]1CN(C2CC2)CCO1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178240071 442418208 /nfs/dbraw/zinc/41/82/08/442418208.db2.gz AFGUBOZTJTWBPW-CRAIPNDOSA-N 2 1 335.492 1.620 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH2+]C)C3)cc2F)CC1 ZINC000133568214 442424364 /nfs/dbraw/zinc/42/43/64/442424364.db2.gz UQWVSBHRTFXBJQ-MRXNPFEDSA-N 2 1 348.466 1.792 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000156004894 442442502 /nfs/dbraw/zinc/44/25/02/442442502.db2.gz NMDCDXRJPJJFHK-ZWKOTPCHSA-N 2 1 338.540 1.641 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)CCCC(=O)NC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000172575053 442494871 /nfs/dbraw/zinc/49/48/71/442494871.db2.gz LYNBUTCTLFXHNB-NVXWUHKLSA-N 2 1 346.475 1.946 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)CCCC(=O)NC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000172575053 442494872 /nfs/dbraw/zinc/49/48/72/442494872.db2.gz LYNBUTCTLFXHNB-NVXWUHKLSA-N 2 1 346.475 1.946 20 0 EDADMP C[C@@H]1C[C@H]([N@H+](C)CCCC(=O)NC(N)=O)CC[NH+]1Cc1ccccc1 ZINC000172575053 442494873 /nfs/dbraw/zinc/49/48/73/442494873.db2.gz LYNBUTCTLFXHNB-NVXWUHKLSA-N 2 1 346.475 1.946 20 0 EDADMP C[C@@H]1C[C@H]([N@@H+](C)CCCC(=O)NC(N)=O)CC[NH+]1Cc1ccccc1 ZINC000172575053 442494874 /nfs/dbraw/zinc/49/48/74/442494874.db2.gz LYNBUTCTLFXHNB-NVXWUHKLSA-N 2 1 346.475 1.946 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@]1(CC)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000134560884 442495812 /nfs/dbraw/zinc/49/58/12/442495812.db2.gz MGSILAXGIDAKJU-SJLPKXTDSA-N 2 1 325.497 1.772 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)c2csc(C[NH3+])n2)C[N@@H+]1Cc1ccccc1 ZINC000178831724 442497795 /nfs/dbraw/zinc/49/77/95/442497795.db2.gz BYOPFRKJTOFZBB-TZMCWYRMSA-N 2 1 330.457 1.995 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)c2csc(C[NH3+])n2)C[N@H+]1Cc1ccccc1 ZINC000178831724 442497800 /nfs/dbraw/zinc/49/78/00/442497800.db2.gz BYOPFRKJTOFZBB-TZMCWYRMSA-N 2 1 330.457 1.995 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)CC(C)(C)[NH3+])C2)cc(OC)c1 ZINC000178842062 442500327 /nfs/dbraw/zinc/50/03/27/442500327.db2.gz LQXYWQXWFYGMPL-AWEZNQCLSA-N 2 1 335.448 1.522 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)CC(C)(C)[NH3+])C2)cc(OC)c1 ZINC000178842062 442500328 /nfs/dbraw/zinc/50/03/28/442500328.db2.gz LQXYWQXWFYGMPL-AWEZNQCLSA-N 2 1 335.448 1.522 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000178874594 442509755 /nfs/dbraw/zinc/50/97/55/442509755.db2.gz FFGVONJAYNCHDP-SJLPKXTDSA-N 2 1 332.492 1.337 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000178874594 442509761 /nfs/dbraw/zinc/50/97/61/442509761.db2.gz FFGVONJAYNCHDP-SJLPKXTDSA-N 2 1 332.492 1.337 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000156468213 442483568 /nfs/dbraw/zinc/48/35/68/442483568.db2.gz ZQKIAMZWZUBFGQ-INIZCTEOSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H](C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000192110879 442595152 /nfs/dbraw/zinc/59/51/52/442595152.db2.gz KWCFJYNNTVOXJN-SJORKVTESA-N 2 1 332.492 1.246 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@@H](C)CC2)C1 ZINC000192183539 442609368 /nfs/dbraw/zinc/60/93/68/442609368.db2.gz YAEZCXWOIPXDSJ-JKSUJKDBSA-N 2 1 343.537 1.287 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCS[C@@H](C)CC2)C1 ZINC000192183539 442609373 /nfs/dbraw/zinc/60/93/73/442609373.db2.gz YAEZCXWOIPXDSJ-JKSUJKDBSA-N 2 1 343.537 1.287 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCS[C@@H](C)CC2)C1 ZINC000192183539 442609376 /nfs/dbraw/zinc/60/93/76/442609376.db2.gz YAEZCXWOIPXDSJ-JKSUJKDBSA-N 2 1 343.537 1.287 20 0 EDADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000192231283 442619283 /nfs/dbraw/zinc/61/92/83/442619283.db2.gz BRJSNWLSTKNBLC-QZTJIDSGSA-N 2 1 333.476 1.734 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000187519505 442680195 /nfs/dbraw/zinc/68/01/95/442680195.db2.gz ZNNJDYQGWRMPSI-CVEARBPZSA-N 2 1 342.528 1.449 20 0 EDADMP Nc1ccncc1C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000188065617 442707276 /nfs/dbraw/zinc/70/72/76/442707276.db2.gz UNNQDBCAFFIBEK-UHFFFAOYSA-N 2 1 326.400 1.426 20 0 EDADMP COC(=O)[C@@H](C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCC1 ZINC000192845649 442691845 /nfs/dbraw/zinc/69/18/45/442691845.db2.gz CTVUGVMUKJJVTJ-MRXNPFEDSA-N 2 1 325.497 1.819 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000187935004 442698796 /nfs/dbraw/zinc/69/87/96/442698796.db2.gz XBGYXRYBBHQHCG-FGTMMUONSA-N 2 1 331.460 1.044 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000187947464 442699622 /nfs/dbraw/zinc/69/96/22/442699622.db2.gz NPLPENNCHPNJCF-NRSFXHEJSA-N 2 1 331.460 1.533 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[N@H+](C3CCCC3)CC2)C1(C)C ZINC000188151715 442717253 /nfs/dbraw/zinc/71/72/53/442717253.db2.gz BTQNTBQJVYPPKT-APWZRJJASA-N 2 1 337.508 1.996 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000193437524 442742563 /nfs/dbraw/zinc/74/25/63/442742563.db2.gz YGZYRYFLDHJMSU-ROUUACIJSA-N 2 1 327.428 1.677 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000193437524 442742565 /nfs/dbraw/zinc/74/25/65/442742565.db2.gz YGZYRYFLDHJMSU-ROUUACIJSA-N 2 1 327.428 1.677 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000267938633 442792963 /nfs/dbraw/zinc/79/29/63/442792963.db2.gz BAMUCHDWUTYFKW-UHFFFAOYSA-N 2 1 342.509 1.400 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000188540108 442761597 /nfs/dbraw/zinc/76/15/97/442761597.db2.gz GOYBSYQUZJQPKD-IYBDPMFKSA-N 2 1 342.528 1.857 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000188540108 442761600 /nfs/dbraw/zinc/76/16/00/442761600.db2.gz GOYBSYQUZJQPKD-IYBDPMFKSA-N 2 1 342.528 1.857 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000194023583 442831872 /nfs/dbraw/zinc/83/18/72/442831872.db2.gz LCFNJDSUBATKCP-HUUCEWRRSA-N 2 1 334.464 1.667 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000265523155 442808731 /nfs/dbraw/zinc/80/87/31/442808731.db2.gz IGWJEYZUALGGOD-QZTJIDSGSA-N 2 1 348.491 1.618 20 0 EDADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000193918056 442812104 /nfs/dbraw/zinc/81/21/04/442812104.db2.gz CLGDADQMIGWNQC-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000193918056 442812110 /nfs/dbraw/zinc/81/21/10/442812110.db2.gz CLGDADQMIGWNQC-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000193918056 442812117 /nfs/dbraw/zinc/81/21/17/442812117.db2.gz CLGDADQMIGWNQC-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000193918056 442812122 /nfs/dbraw/zinc/81/21/22/442812122.db2.gz CLGDADQMIGWNQC-CQSZACIVSA-N 2 1 344.459 1.419 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000265639418 442856429 /nfs/dbraw/zinc/85/64/29/442856429.db2.gz UQCIWDCMVSIDKK-HUUCEWRRSA-N 2 1 340.493 1.371 20 0 EDADMP C[N@@H+](CCCO)C1CCN(CCOCC(F)(F)C(F)(F)F)CC1 ZINC000189325250 442921341 /nfs/dbraw/zinc/92/13/41/442921341.db2.gz SLLVKRUETQGKNG-UHFFFAOYSA-N 2 1 348.356 1.979 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000265922578 442970355 /nfs/dbraw/zinc/97/03/55/442970355.db2.gz VENXCYKQHNAZDT-SFHVURJKSA-N 2 1 331.460 1.440 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000265922578 442970357 /nfs/dbraw/zinc/97/03/57/442970357.db2.gz VENXCYKQHNAZDT-SFHVURJKSA-N 2 1 331.460 1.440 20 0 EDADMP CCOCCNC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183689388 442953324 /nfs/dbraw/zinc/95/33/24/442953324.db2.gz QXOMEXCFBGQNMW-CQSZACIVSA-N 2 1 330.432 1.984 20 0 EDADMP COC(=O)C[C@H]1CCC[N@H+]1C/C=C\C[NH+]1CCC[C@H]1CC(=O)OC ZINC000255313020 443093389 /nfs/dbraw/zinc/09/33/89/443093389.db2.gz ZZIHMTIFDYWRLL-SSGMOAHOSA-N 2 1 338.448 1.598 20 0 EDADMP COC(=O)C[C@H]1CCC[NH+]1C/C=C\C[N@@H+]1CCC[C@H]1CC(=O)OC ZINC000255313020 443093393 /nfs/dbraw/zinc/09/33/93/443093393.db2.gz ZZIHMTIFDYWRLL-SSGMOAHOSA-N 2 1 338.448 1.598 20 0 EDADMP COC(=O)C[C@H]1CCC[NH+]1C/C=C\C[N@H+]1CCC[C@H]1CC(=O)OC ZINC000255313020 443093398 /nfs/dbraw/zinc/09/33/98/443093398.db2.gz ZZIHMTIFDYWRLL-SSGMOAHOSA-N 2 1 338.448 1.598 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000268885583 443137386 /nfs/dbraw/zinc/13/73/86/443137386.db2.gz YVYOSWLTDBVNJS-MAUKXSAKSA-N 2 1 331.460 1.921 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000268768701 443102711 /nfs/dbraw/zinc/10/27/11/443102711.db2.gz RPEDTDSXASVOLP-UHFFFAOYSA-N 2 1 333.480 1.891 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC000268797899 443111564 /nfs/dbraw/zinc/11/15/64/443111564.db2.gz JDPDIRWEMWNOKM-GDBMZVCRSA-N 2 1 325.478 1.036 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000268801637 443112662 /nfs/dbraw/zinc/11/26/62/443112662.db2.gz JLYWPIYPBVOCKQ-ICSRJNTNSA-N 4 1 345.535 1.914 20 0 EDADMP CCN1CC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000268801637 443112664 /nfs/dbraw/zinc/11/26/64/443112664.db2.gz JLYWPIYPBVOCKQ-ICSRJNTNSA-N 4 1 345.535 1.914 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000268856848 443128714 /nfs/dbraw/zinc/12/87/14/443128714.db2.gz RAVSUCDJGVNFIJ-HEHGZKQESA-N 2 1 325.478 1.413 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000268856848 443128716 /nfs/dbraw/zinc/12/87/16/443128716.db2.gz RAVSUCDJGVNFIJ-HEHGZKQESA-N 2 1 325.478 1.413 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649475 443196817 /nfs/dbraw/zinc/19/68/17/443196817.db2.gz XVDLJYAFSZBVMU-CHWSQXEVSA-N 2 1 345.447 1.457 20 0 EDADMP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000245441107 443228202 /nfs/dbraw/zinc/22/82/02/443228202.db2.gz VDOJHTBMFJLROI-KSZLIROESA-N 2 1 338.540 1.449 20 0 EDADMP [NH3+]CCCn1ccc2cc(C(=O)NCC[NH+]3CCSCC3)ccc21 ZINC000269223655 443238902 /nfs/dbraw/zinc/23/89/02/443238902.db2.gz BEWRCDVJSWJRAI-UHFFFAOYSA-N 2 1 346.500 1.769 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCO)[C@@H]2CC[C@H](C)C2)CC1 ZINC000411645933 319191400 /nfs/dbraw/zinc/19/14/00/319191400.db2.gz LSRIYJRFHMIRSO-DOTOQJQBSA-N 2 1 325.497 1.458 20 0 EDADMP C[C@@H]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000269261928 443255878 /nfs/dbraw/zinc/25/58/78/443255878.db2.gz MXGBCAFRAKQRQD-AEFFLSMTSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000413849946 319293740 /nfs/dbraw/zinc/29/37/40/319293740.db2.gz ZHIZFIAWTYOLRZ-IRXDYDNUSA-N 3 1 339.528 1.138 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000413849946 319293742 /nfs/dbraw/zinc/29/37/42/319293742.db2.gz ZHIZFIAWTYOLRZ-IRXDYDNUSA-N 3 1 339.528 1.138 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)C1 ZINC000413849946 319293745 /nfs/dbraw/zinc/29/37/45/319293745.db2.gz ZHIZFIAWTYOLRZ-IRXDYDNUSA-N 3 1 339.528 1.138 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC000246207029 443278752 /nfs/dbraw/zinc/27/87/52/443278752.db2.gz UYLJTDRPPALWOL-WKILWMFISA-N 2 1 340.512 1.210 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000264416965 443284301 /nfs/dbraw/zinc/28/43/01/443284301.db2.gz HPDOZOKQXBAREN-MRXNPFEDSA-N 2 1 349.475 1.156 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000269476402 443318549 /nfs/dbraw/zinc/31/85/49/443318549.db2.gz KLTBMUXKRLNTDD-MRXNPFEDSA-N 2 1 339.509 1.660 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000418517068 319503508 /nfs/dbraw/zinc/50/35/08/319503508.db2.gz CZQZLZFRXHMOTO-INIZCTEOSA-N 2 1 333.480 1.187 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000264586320 443336365 /nfs/dbraw/zinc/33/63/65/443336365.db2.gz VIMXCJIMIFDNRG-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000264586320 443336369 /nfs/dbraw/zinc/33/63/69/443336369.db2.gz VIMXCJIMIFDNRG-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000264586320 443336373 /nfs/dbraw/zinc/33/63/73/443336373.db2.gz VIMXCJIMIFDNRG-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272526511 443351177 /nfs/dbraw/zinc/35/11/77/443351177.db2.gz QJVMDLHSGMOYFK-WMZOPIPTSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272526511 443351180 /nfs/dbraw/zinc/35/11/80/443351180.db2.gz QJVMDLHSGMOYFK-WMZOPIPTSA-N 2 1 331.460 1.345 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000420315129 319609356 /nfs/dbraw/zinc/60/93/56/319609356.db2.gz KVRUIAWDYRCRCP-SFHVURJKSA-N 3 1 336.524 1.252 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000264731166 443394772 /nfs/dbraw/zinc/39/47/72/443394772.db2.gz HZPKZNKMXXELLV-IBGZPJMESA-N 2 1 344.503 1.529 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000264731166 443394777 /nfs/dbraw/zinc/39/47/77/443394777.db2.gz HZPKZNKMXXELLV-IBGZPJMESA-N 2 1 344.503 1.529 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCC[N@H+](C)C(C)C ZINC000267292500 443408388 /nfs/dbraw/zinc/40/83/88/443408388.db2.gz IZIIVISOIBUYFH-UHFFFAOYSA-N 2 1 348.491 1.842 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000264947958 443487494 /nfs/dbraw/zinc/48/74/94/443487494.db2.gz AMQNLVFQJDDAMX-IBGZPJMESA-N 2 1 344.503 1.214 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)NCC[NH+]2CCc3ccccc3C2)CC1 ZINC000272121770 443533313 /nfs/dbraw/zinc/53/33/13/443533313.db2.gz TZYARTQBGNHUIH-UHFFFAOYSA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1CC=C(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000272121770 443533315 /nfs/dbraw/zinc/53/33/15/443533315.db2.gz TZYARTQBGNHUIH-UHFFFAOYSA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1CC=C(CNC(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000272121770 443533320 /nfs/dbraw/zinc/53/33/20/443533320.db2.gz TZYARTQBGNHUIH-UHFFFAOYSA-N 2 1 328.460 1.606 20 0 EDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1-n1ccnn1 ZINC000286057683 443636994 /nfs/dbraw/zinc/63/69/94/443636994.db2.gz LGGRQBZJGBQAFY-OAHLLOKOSA-N 2 1 329.448 1.765 20 0 EDADMP C[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CC=CCC2)[C@@H]1c1ccccc1 ZINC000279954971 443649406 /nfs/dbraw/zinc/64/94/06/443649406.db2.gz PAWGKUOKKNMKHO-ROUUACIJSA-N 2 1 328.460 1.993 20 0 EDADMP CCN1CC[NH+](CCCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440810161 320081092 /nfs/dbraw/zinc/08/10/92/320081092.db2.gz QVVFYTUBPQXQQQ-UHFFFAOYSA-N 2 1 333.402 1.936 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NCC[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000444261081 320123338 /nfs/dbraw/zinc/12/33/38/320123338.db2.gz DOMXOUGRLOLWHM-MSOLQXFVSA-N 2 1 330.476 1.233 20 0 EDADMP COc1nccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000449018293 320174494 /nfs/dbraw/zinc/17/44/94/320174494.db2.gz JGCTWRHCWLJKFU-HUUCEWRRSA-N 2 1 334.464 1.806 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449366457 320184736 /nfs/dbraw/zinc/18/47/36/320184736.db2.gz WJDIGVNZEUTSKI-XLMAVXFVSA-N 2 1 337.508 1.580 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000449702865 320200091 /nfs/dbraw/zinc/20/00/91/320200091.db2.gz DVCJYYLZESVCIK-SFHVURJKSA-N 2 1 344.503 1.309 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CCCCC1 ZINC000457448287 320326244 /nfs/dbraw/zinc/32/62/44/320326244.db2.gz ZFTPGBWZWHDTTH-MRXNPFEDSA-N 2 1 340.512 1.397 20 0 EDADMP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000286266400 443679587 /nfs/dbraw/zinc/67/95/87/443679587.db2.gz VVGWLILAOZAUSD-ROUUACIJSA-N 2 1 331.460 1.617 20 0 EDADMP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000286266400 443679589 /nfs/dbraw/zinc/67/95/89/443679589.db2.gz VVGWLILAOZAUSD-ROUUACIJSA-N 2 1 331.460 1.617 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)Nc2ccccc2CC[NH+](C)C)[N@@H+](C)C1 ZINC000286347728 443695814 /nfs/dbraw/zinc/69/58/14/443695814.db2.gz XMDXUFNUQSUJIR-IRXDYDNUSA-N 2 1 348.491 1.974 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000516554767 320438179 /nfs/dbraw/zinc/43/81/79/320438179.db2.gz JBBSEJMOLSSPCG-ZLIFDBKOSA-N 2 1 343.431 1.216 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000298639105 443825386 /nfs/dbraw/zinc/82/53/86/443825386.db2.gz AUWZTCVVPLWICW-RBUKOAKNSA-N 2 1 342.487 1.971 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000298639105 443825391 /nfs/dbraw/zinc/82/53/91/443825391.db2.gz AUWZTCVVPLWICW-RBUKOAKNSA-N 2 1 342.487 1.971 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000298639105 443825395 /nfs/dbraw/zinc/82/53/95/443825395.db2.gz AUWZTCVVPLWICW-RBUKOAKNSA-N 2 1 342.487 1.971 20 0 EDADMP C[N@@H+](CCN1C(=O)N[C@@H](Cc2c[nH]cn2)C1=O)Cc1ccc(F)cc1 ZINC000288561675 443919212 /nfs/dbraw/zinc/91/92/12/443919212.db2.gz ZLGPTTXVBWLSOQ-HNNXBMFYSA-N 2 1 345.378 1.144 20 0 EDADMP C[N@H+](CCN1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O)Cc1ccc(F)cc1 ZINC000288561675 443919214 /nfs/dbraw/zinc/91/92/14/443919214.db2.gz ZLGPTTXVBWLSOQ-HNNXBMFYSA-N 2 1 345.378 1.144 20 0 EDADMP C[N@@H+](CCN1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O)Cc1ccc(F)cc1 ZINC000288561675 443919217 /nfs/dbraw/zinc/91/92/17/443919217.db2.gz ZLGPTTXVBWLSOQ-HNNXBMFYSA-N 2 1 345.378 1.144 20 0 EDADMP CCOC[C@@H](O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285395301 443968492 /nfs/dbraw/zinc/96/84/92/443968492.db2.gz HTYGRRMQZKSZLU-IBGZPJMESA-N 2 1 335.492 1.133 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)N1CCN(c2ccccc2)CC1 ZINC000299474868 444055451 /nfs/dbraw/zinc/05/54/51/444055451.db2.gz BDYVGZDAGKSQEL-WMZOPIPTSA-N 2 1 330.476 1.408 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000559834389 321016588 /nfs/dbraw/zinc/01/65/88/321016588.db2.gz HZWIVGIJGPRDGZ-INIZCTEOSA-N 2 1 340.512 1.167 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)NC1CC[NH2+]CC1 ZINC000561131921 321034375 /nfs/dbraw/zinc/03/43/75/321034375.db2.gz JCZWBJBKVODPMX-UHFFFAOYSA-N 2 1 332.448 1.070 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000561145259 321034991 /nfs/dbraw/zinc/03/49/91/321034991.db2.gz CUJYTLXWFUMCMM-ROUUACIJSA-N 2 1 346.475 1.329 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000562674414 321068738 /nfs/dbraw/zinc/06/87/38/321068738.db2.gz DJGCAKKMMMTORV-CVEARBPZSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000562674414 321068740 /nfs/dbraw/zinc/06/87/40/321068740.db2.gz DJGCAKKMMMTORV-CVEARBPZSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000562674414 321068741 /nfs/dbraw/zinc/06/87/41/321068741.db2.gz DJGCAKKMMMTORV-CVEARBPZSA-N 2 1 340.512 1.253 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@@H]1CCC[NH2+]C1 ZINC000562800730 321076730 /nfs/dbraw/zinc/07/67/30/321076730.db2.gz VHUVNWUTMFCJHM-ZWKOTPCHSA-N 2 1 330.476 1.602 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC[N@H+]1CCOC ZINC000562817425 321078540 /nfs/dbraw/zinc/07/85/40/321078540.db2.gz QTEFNTDLIYTUMJ-BZUAXINKSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCCOCC3)CC2)CC1 ZINC000564585831 321136789 /nfs/dbraw/zinc/13/67/89/321136789.db2.gz OQTBRQDWQWBDEB-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[NH+]1CC(C)C1 ZINC000564665264 321140251 /nfs/dbraw/zinc/14/02/51/321140251.db2.gz HMDDPTKYGKKIKC-KSZLIROESA-N 2 1 336.524 1.344 20 0 EDADMP COc1ccc(C[C@H](C)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1F ZINC000565234173 321177586 /nfs/dbraw/zinc/17/75/86/321177586.db2.gz REIYTEVWUIVJMC-DUVNUKRYSA-N 2 1 335.423 1.257 20 0 EDADMP C[C@H]1CC[NH2+][C@H](C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000568517219 321295551 /nfs/dbraw/zinc/29/55/51/321295551.db2.gz CQYKMUPREYHCHR-WMZOPIPTSA-N 2 1 345.491 1.098 20 0 EDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000570106080 321338119 /nfs/dbraw/zinc/33/81/19/321338119.db2.gz HOPYJWDDOFHXMA-HZPDHXFCSA-N 2 1 346.475 1.765 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000570262693 321343026 /nfs/dbraw/zinc/34/30/26/321343026.db2.gz IFLOXDRYCPMDBH-OAHLLOKOSA-N 2 1 344.459 1.212 20 0 EDADMP COC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)[nH]1 ZINC000289405921 444132577 /nfs/dbraw/zinc/13/25/77/444132577.db2.gz HEWHPQDTLYHPHB-UHFFFAOYSA-N 2 1 334.464 1.261 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000572379197 321428202 /nfs/dbraw/zinc/42/82/02/321428202.db2.gz XQZQSWNBPWKQDI-RBSFLKMASA-N 2 1 326.485 1.255 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000289508801 444161561 /nfs/dbraw/zinc/16/15/61/444161561.db2.gz UXILAYSEPPXWGY-GOSISDBHSA-N 2 1 334.508 1.631 20 0 EDADMP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289508801 444161569 /nfs/dbraw/zinc/16/15/69/444161569.db2.gz UXILAYSEPPXWGY-GOSISDBHSA-N 2 1 334.508 1.631 20 0 EDADMP CC[C@@H](CNS(C)(=O)=O)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000294984911 444163161 /nfs/dbraw/zinc/16/31/61/444163161.db2.gz GWKIDKYWVBSIPI-INIZCTEOSA-N 2 1 339.505 1.568 20 0 EDADMP CN(C)S(=O)(=O)CCNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000289541030 444168187 /nfs/dbraw/zinc/16/81/87/444168187.db2.gz JRPODADEWCIFDE-UHFFFAOYSA-N 2 1 341.521 1.626 20 0 EDADMP CN(C)S(=O)(=O)CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000289541030 444168192 /nfs/dbraw/zinc/16/81/92/444168192.db2.gz JRPODADEWCIFDE-UHFFFAOYSA-N 2 1 341.521 1.626 20 0 EDADMP COc1cccc(NC(=O)CC[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000299734406 444128230 /nfs/dbraw/zinc/12/82/30/444128230.db2.gz ZPLSBSUQRVXBKZ-UHFFFAOYSA-N 2 1 348.491 1.593 20 0 EDADMP COc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000289938749 444221963 /nfs/dbraw/zinc/22/19/63/444221963.db2.gz XBISMGZFMBLPMM-UHFFFAOYSA-N 2 1 345.487 1.990 20 0 EDADMP Cc1[nH+]c2ccccc2c(N(C)C[C@H](O)C[NH+]2CCOCC2)c1C ZINC000302064725 444202842 /nfs/dbraw/zinc/20/28/42/444202842.db2.gz DRXLHLKDKSIMHQ-INIZCTEOSA-N 2 1 329.444 1.981 20 0 EDADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000305219205 444266106 /nfs/dbraw/zinc/26/61/06/444266106.db2.gz KLUYWTRERCWALK-SJORKVTESA-N 2 1 346.475 1.356 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000290007777 444229956 /nfs/dbraw/zinc/22/99/56/444229956.db2.gz DOWRTFDDFXKCAG-MSOLQXFVSA-N 2 1 348.466 1.452 20 0 EDADMP CC(C)OC[C@H](O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000303260942 444235833 /nfs/dbraw/zinc/23/58/33/444235833.db2.gz NYLLBWSKNAQHMN-FGTMMUONSA-N 2 1 327.513 1.263 20 0 EDADMP CC(C)OC[C@H](O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000303260942 444235836 /nfs/dbraw/zinc/23/58/36/444235836.db2.gz NYLLBWSKNAQHMN-FGTMMUONSA-N 2 1 327.513 1.263 20 0 EDADMP C[C@H](O)C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000303985586 444238661 /nfs/dbraw/zinc/23/86/61/444238661.db2.gz TVJPACXPBTUWEL-HNNXBMFYSA-N 2 1 337.508 1.745 20 0 EDADMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290082270 444239906 /nfs/dbraw/zinc/23/99/06/444239906.db2.gz VDWTUMHJEIEHFB-AZUAARDMSA-N 2 1 331.504 1.895 20 0 EDADMP CN(C[C@@H](O)C[NH+](C)C1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290082270 444239907 /nfs/dbraw/zinc/23/99/07/444239907.db2.gz VDWTUMHJEIEHFB-AZUAARDMSA-N 2 1 331.504 1.895 20 0 EDADMP CN(C[C@@H](O)C[NH+](C)C1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290082270 444239908 /nfs/dbraw/zinc/23/99/08/444239908.db2.gz VDWTUMHJEIEHFB-AZUAARDMSA-N 2 1 331.504 1.895 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C[C@H](C)O)C2CCCCC2)CC1 ZINC000304094833 444242234 /nfs/dbraw/zinc/24/22/34/444242234.db2.gz DSBPSLAAKNTYHY-INIZCTEOSA-N 2 1 339.524 1.991 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000304257062 444244591 /nfs/dbraw/zinc/24/45/91/444244591.db2.gz DODZTGJKRCRQCX-WOJBJXKFSA-N 2 1 331.504 1.897 20 0 EDADMP C[C@@H](C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C[NH+]1CCCC1 ZINC000315561646 444305857 /nfs/dbraw/zinc/30/58/57/444305857.db2.gz MNQMRSSLKBYLDE-KBPBESRZSA-N 2 1 325.478 1.717 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)Cc1cn(Cc2cccnc2)nn1 ZINC000290454571 444282576 /nfs/dbraw/zinc/28/25/76/444282576.db2.gz MNDYPYIGNIUMCW-UHFFFAOYSA-N 2 1 325.420 1.748 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000290484240 444286887 /nfs/dbraw/zinc/28/68/87/444286887.db2.gz RCDQOFCJRYKIPM-HOTGVXAUSA-N 2 1 342.491 1.948 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCCC[NH2+]1 ZINC000325523186 444366685 /nfs/dbraw/zinc/36/66/85/444366685.db2.gz QDLCZMFALIOBHY-GOSISDBHSA-N 2 1 331.460 1.667 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000331228199 444450996 /nfs/dbraw/zinc/45/09/96/444450996.db2.gz BUFQBZBYAXELPF-OAHLLOKOSA-N 2 1 343.475 1.853 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580079125 322007237 /nfs/dbraw/zinc/00/72/37/322007237.db2.gz JMGQKDRKSHJGDJ-AZUAARDMSA-N 2 1 342.487 1.896 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN(Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000580826598 322099755 /nfs/dbraw/zinc/09/97/55/322099755.db2.gz KCDODHPRAOULFI-QZTJIDSGSA-N 2 1 336.476 1.989 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2F)CC1)C1CC1 ZINC000580828999 322100436 /nfs/dbraw/zinc/10/04/36/322100436.db2.gz VATFOTPINMUWRF-INIZCTEOSA-N 2 1 349.450 1.475 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2F)CC1)C1CC1 ZINC000580828999 322100439 /nfs/dbraw/zinc/10/04/39/322100439.db2.gz VATFOTPINMUWRF-INIZCTEOSA-N 2 1 349.450 1.475 20 0 EDADMP C[C@@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)C[NH+]1CCOCC1 ZINC000581060395 322130243 /nfs/dbraw/zinc/13/02/43/322130243.db2.gz PUQMKUAIYAPZFI-AWEZNQCLSA-N 2 1 332.448 1.422 20 0 EDADMP COCCNC(=O)C1([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000581601887 322197479 /nfs/dbraw/zinc/19/74/79/322197479.db2.gz TUVNYQJTFGGQPV-MAUKXSAKSA-N 2 1 345.443 1.127 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000343849441 444627005 /nfs/dbraw/zinc/62/70/05/444627005.db2.gz MRNHFUDCOWBYAC-UHFFFAOYSA-N 2 1 344.503 1.602 20 0 EDADMP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000343802657 444600940 /nfs/dbraw/zinc/60/09/40/444600940.db2.gz ASUFZVKGEOQKIA-WOJBJXKFSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)[C@](C)(O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000343802657 444600943 /nfs/dbraw/zinc/60/09/43/444600943.db2.gz ASUFZVKGEOQKIA-WOJBJXKFSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000343802657 444600945 /nfs/dbraw/zinc/60/09/45/444600945.db2.gz ASUFZVKGEOQKIA-WOJBJXKFSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000343802657 444600948 /nfs/dbraw/zinc/60/09/48/444600948.db2.gz ASUFZVKGEOQKIA-WOJBJXKFSA-N 2 1 346.471 1.899 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000343894618 444651104 /nfs/dbraw/zinc/65/11/04/444651104.db2.gz VEGKGVVATJPCFD-CVEARBPZSA-N 2 1 339.480 1.252 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343920793 444670522 /nfs/dbraw/zinc/67/05/22/444670522.db2.gz ILQWYWQMGSAJKP-QWFCFKBJSA-N 2 1 347.503 1.384 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)cn1 ZINC000333838345 444702404 /nfs/dbraw/zinc/70/24/04/444702404.db2.gz NSVSQPZXTIJRPQ-SJORKVTESA-N 2 1 348.495 1.155 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)cn1 ZINC000333838345 444702405 /nfs/dbraw/zinc/70/24/05/444702405.db2.gz NSVSQPZXTIJRPQ-SJORKVTESA-N 2 1 348.495 1.155 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333928933 444721091 /nfs/dbraw/zinc/72/10/91/444721091.db2.gz XWLRLVKDZRBJNB-TWMKSMIVSA-N 2 1 331.464 1.754 20 0 EDADMP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333945277 444725095 /nfs/dbraw/zinc/72/50/95/444725095.db2.gz SPPIPVGQSOQVGD-SFHVURJKSA-N 2 1 343.475 1.612 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)[nH+]c1 ZINC000344012286 444726845 /nfs/dbraw/zinc/72/68/45/444726845.db2.gz NNOLSILOCULYGD-IRXDYDNUSA-N 2 1 345.491 2.460 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)[nH+]c1 ZINC000344012286 444726848 /nfs/dbraw/zinc/72/68/48/444726848.db2.gz NNOLSILOCULYGD-IRXDYDNUSA-N 2 1 345.491 2.460 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000344013420 444728168 /nfs/dbraw/zinc/72/81/68/444728168.db2.gz OYGARJFHVOFNPP-JKSUJKDBSA-N 2 1 343.537 1.383 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000341120685 444684024 /nfs/dbraw/zinc/68/40/24/444684024.db2.gz KQPQENXAPBJWMU-CABCVRRESA-N 2 1 340.512 1.658 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)C1 ZINC000334044779 444759530 /nfs/dbraw/zinc/75/95/30/444759530.db2.gz PQMYOSXOFNPWIA-INIZCTEOSA-N 2 1 346.479 1.456 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000334044779 444759538 /nfs/dbraw/zinc/75/95/38/444759538.db2.gz PQMYOSXOFNPWIA-INIZCTEOSA-N 2 1 346.479 1.456 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)C[C@H]1CC ZINC000342650460 444796825 /nfs/dbraw/zinc/79/68/25/444796825.db2.gz JOWCQKGQFPYAJW-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1CC ZINC000342650460 444796827 /nfs/dbraw/zinc/79/68/27/444796827.db2.gz JOWCQKGQFPYAJW-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1CC ZINC000342650460 444796828 /nfs/dbraw/zinc/79/68/28/444796828.db2.gz JOWCQKGQFPYAJW-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)C[C@@H]1CC ZINC000342650457 444797340 /nfs/dbraw/zinc/79/73/40/444797340.db2.gz JOWCQKGQFPYAJW-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1CC ZINC000342650457 444797344 /nfs/dbraw/zinc/79/73/44/444797344.db2.gz JOWCQKGQFPYAJW-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1CC ZINC000342650457 444797347 /nfs/dbraw/zinc/79/73/47/444797347.db2.gz JOWCQKGQFPYAJW-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344133799 444799155 /nfs/dbraw/zinc/79/91/55/444799155.db2.gz POFWWLNXOPWXDL-KRWDZBQOSA-N 2 1 345.553 1.856 20 0 EDADMP CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344133799 444799157 /nfs/dbraw/zinc/79/91/57/444799157.db2.gz POFWWLNXOPWXDL-KRWDZBQOSA-N 2 1 345.553 1.856 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000342656205 444799826 /nfs/dbraw/zinc/79/98/26/444799826.db2.gz RNCHQBGCOLCNQN-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000342709637 444827131 /nfs/dbraw/zinc/82/71/31/444827131.db2.gz PAAQMTDREQFMDH-ZDUSSCGKSA-N 2 1 333.423 1.237 20 0 EDADMP O=C([C@H]1CC[NH2+]CC1(F)F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000342716155 444831244 /nfs/dbraw/zinc/83/12/44/444831244.db2.gz UVLWADHCRXUPDY-OAHLLOKOSA-N 2 1 345.434 1.335 20 0 EDADMP Cc1nc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(N(C)C)n1 ZINC000330197960 444883885 /nfs/dbraw/zinc/88/38/85/444883885.db2.gz SNXPLYVYEOVHIB-INIZCTEOSA-N 2 1 326.448 2.323 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000338842823 444884381 /nfs/dbraw/zinc/88/43/81/444884381.db2.gz WXYLTUBXNVLDGZ-LJQANCHMSA-N 2 1 345.487 1.811 20 0 EDADMP Cn1cc(CC[N@@H+](C)[C@H]2CCC[NH+](CCc3cnn(C)c3)CC2)cn1 ZINC000338938169 444943791 /nfs/dbraw/zinc/94/37/91/444943791.db2.gz GJYOHWGTFZAQCK-IBGZPJMESA-N 2 1 344.507 1.725 20 0 EDADMP Cn1cc(CC[NH+](C)[C@H]2CCC[N@H+](CCc3cnn(C)c3)CC2)cn1 ZINC000338938169 444943795 /nfs/dbraw/zinc/94/37/95/444943795.db2.gz GJYOHWGTFZAQCK-IBGZPJMESA-N 2 1 344.507 1.725 20 0 EDADMP Cn1cc(CC[NH+](C)[C@H]2CCC[N@@H+](CCc3cnn(C)c3)CC2)cn1 ZINC000338938169 444943800 /nfs/dbraw/zinc/94/38/00/444943800.db2.gz GJYOHWGTFZAQCK-IBGZPJMESA-N 2 1 344.507 1.725 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000341668059 444940636 /nfs/dbraw/zinc/94/06/36/444940636.db2.gz VGDSUUDCTFGGSR-SJORKVTESA-N 2 1 325.497 1.581 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000341750232 444984903 /nfs/dbraw/zinc/98/49/03/444984903.db2.gz WGLMAZRTJDLDIL-MJGOQNOKSA-N 2 1 344.503 1.513 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)CC(C)(C)O)cc[nH+]1 ZINC000330558577 445034419 /nfs/dbraw/zinc/03/44/19/445034419.db2.gz GTCQIMAIMKGIJA-STQMWFEESA-N 2 1 325.432 1.162 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)CC(C)(C)O)cc[nH+]1 ZINC000330558577 445034424 /nfs/dbraw/zinc/03/44/24/445034424.db2.gz GTCQIMAIMKGIJA-STQMWFEESA-N 2 1 325.432 1.162 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000343097759 445063426 /nfs/dbraw/zinc/06/34/26/445063426.db2.gz OKJRIKPASSNUOX-HUUCEWRRSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@H]1C[C@H](C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1C ZINC000339273001 445129970 /nfs/dbraw/zinc/12/99/70/445129970.db2.gz FDXFLMFGFVJONM-DOTOQJQBSA-N 2 1 333.476 1.974 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2ccc(C[NH+](C)C)nc2)C[C@H](C)O1 ZINC000339225750 445099545 /nfs/dbraw/zinc/09/95/45/445099545.db2.gz ICMFXLUZEFMTPN-IYBDPMFKSA-N 2 1 348.491 1.762 20 0 EDADMP COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000342097491 445170431 /nfs/dbraw/zinc/17/04/31/445170431.db2.gz HVPGHJXNATZXDK-NWANDNLSSA-N 2 1 333.432 1.702 20 0 EDADMP COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000342097491 445170436 /nfs/dbraw/zinc/17/04/36/445170436.db2.gz HVPGHJXNATZXDK-NWANDNLSSA-N 2 1 333.432 1.702 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000339495317 445146605 /nfs/dbraw/zinc/14/66/05/445146605.db2.gz WZEWVEHTPYXFTL-CHWSQXEVSA-N 2 1 338.496 1.011 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000339562883 445149840 /nfs/dbraw/zinc/14/98/40/445149840.db2.gz KQMQXZWFSBYNBU-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CC[NH+]1CCN(c2nc(C)nc(N3CC[N@H+](CC)C[C@H]3C)n2)[C@H](C)C1 ZINC000343245076 445158074 /nfs/dbraw/zinc/15/80/74/445158074.db2.gz BEXRHTBPJOUROQ-HUUCEWRRSA-N 2 1 347.511 1.241 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC[NH+]1CCSCC1 ZINC000345075690 445160528 /nfs/dbraw/zinc/16/05/28/445160528.db2.gz OHTGNTIOCRMFIM-CABCVRRESA-N 2 1 326.510 1.303 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)NCCCNc2ccc(C)c[nH+]2)C[C@H]1C ZINC000345745323 445198152 /nfs/dbraw/zinc/19/81/52/445198152.db2.gz UMIDACMUHUQOSC-CVEARBPZSA-N 2 1 333.480 2.316 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCCNc2ccc(C)c[nH+]2)C[C@H]1C ZINC000345745323 445198155 /nfs/dbraw/zinc/19/81/55/445198155.db2.gz UMIDACMUHUQOSC-CVEARBPZSA-N 2 1 333.480 2.316 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)[NH+](C)C1 ZINC000346697221 445223711 /nfs/dbraw/zinc/22/37/11/445223711.db2.gz BESJBTQAYWRLMP-KBAYOESNSA-N 2 1 333.476 1.684 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)[NH+](C)C1 ZINC000346697221 445223714 /nfs/dbraw/zinc/22/37/14/445223714.db2.gz BESJBTQAYWRLMP-KBAYOESNSA-N 2 1 333.476 1.684 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H](C)[NH+](C)Cc2ccccc2)[N@H+](C)C1 ZINC000346697221 445223715 /nfs/dbraw/zinc/22/37/15/445223715.db2.gz BESJBTQAYWRLMP-KBAYOESNSA-N 2 1 333.476 1.684 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H](C)[NH+](C)Cc2ccccc2)[N@@H+](C)C1 ZINC000346697221 445223717 /nfs/dbraw/zinc/22/37/17/445223717.db2.gz BESJBTQAYWRLMP-KBAYOESNSA-N 2 1 333.476 1.684 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348099734 445268311 /nfs/dbraw/zinc/26/83/11/445268311.db2.gz CRKWBWZJZQVQTM-HUUCEWRRSA-N 2 1 337.430 1.960 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000348305260 445250100 /nfs/dbraw/zinc/25/01/00/445250100.db2.gz VGRFABWXHAUXIS-GOEBONIOSA-N 2 1 336.480 1.074 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343602084 445259073 /nfs/dbraw/zinc/25/90/73/445259073.db2.gz QUCBAXOCNGWREG-HKUYNNGSSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343602084 445259078 /nfs/dbraw/zinc/25/90/78/445259078.db2.gz QUCBAXOCNGWREG-HKUYNNGSSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343602084 445259082 /nfs/dbraw/zinc/25/90/82/445259082.db2.gz QUCBAXOCNGWREG-HKUYNNGSSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343602084 445259084 /nfs/dbraw/zinc/25/90/84/445259084.db2.gz QUCBAXOCNGWREG-HKUYNNGSSA-N 2 1 342.487 1.109 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000351701403 445279180 /nfs/dbraw/zinc/27/91/80/445279180.db2.gz XFLAXGIJAATZEV-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000351850809 445342546 /nfs/dbraw/zinc/34/25/46/445342546.db2.gz JJMOYKAACLHIES-IEBWSBKVSA-N 2 1 344.503 1.308 20 0 EDADMP Cc1cccc(CN2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000351850809 445342548 /nfs/dbraw/zinc/34/25/48/445342548.db2.gz JJMOYKAACLHIES-IEBWSBKVSA-N 2 1 344.503 1.308 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000351850552 445342746 /nfs/dbraw/zinc/34/27/46/445342746.db2.gz IUHMMZZEDSDBJA-RZLSGREXSA-N 2 1 347.459 1.693 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000351850552 445342749 /nfs/dbraw/zinc/34/27/49/445342749.db2.gz IUHMMZZEDSDBJA-RZLSGREXSA-N 2 1 347.459 1.693 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC000351857496 445344997 /nfs/dbraw/zinc/34/49/97/445344997.db2.gz BRCODCJADXDQHM-OCCSQVGLSA-N 2 1 341.402 1.916 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC000351857496 445344998 /nfs/dbraw/zinc/34/49/98/445344998.db2.gz BRCODCJADXDQHM-OCCSQVGLSA-N 2 1 341.402 1.916 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1OC ZINC000351858494 445345167 /nfs/dbraw/zinc/34/51/67/445345167.db2.gz ZIGDRUKVSGOLSF-UONOGXRCSA-N 2 1 335.448 1.331 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1OC ZINC000351858494 445345169 /nfs/dbraw/zinc/34/51/69/445345169.db2.gz ZIGDRUKVSGOLSF-UONOGXRCSA-N 2 1 335.448 1.331 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000348707099 445350150 /nfs/dbraw/zinc/35/01/50/445350150.db2.gz WNNXLTPUZQOTML-BRWVUGGUSA-N 2 1 325.497 1.674 20 0 EDADMP CCC[N@@H+](C)CC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000359672454 445368294 /nfs/dbraw/zinc/36/82/94/445368294.db2.gz IFMLELZQURIADD-HUUCEWRRSA-N 2 1 339.505 1.968 20 0 EDADMP C[N@@H+](C[C@H](O)COC(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362486813 445407172 /nfs/dbraw/zinc/40/71/72/445407172.db2.gz LXZNWGCYLAIXOB-IRXDYDNUSA-N 2 1 327.513 1.263 20 0 EDADMP C[N@@H+](C[C@@H](O)COC(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362486811 445407793 /nfs/dbraw/zinc/40/77/93/445407793.db2.gz LXZNWGCYLAIXOB-DLBZAZTESA-N 2 1 327.513 1.263 20 0 EDADMP CC1(C)CN(C(=O)CCOC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000349001721 445472152 /nfs/dbraw/zinc/47/21/52/445472152.db2.gz OVXGAVOWOULEHR-UHFFFAOYSA-N 2 1 331.460 1.488 20 0 EDADMP CN(c1ccccc1C[N@H+](C)[C@H]1CCNC1=O)C1CC[NH+](C)CC1 ZINC000355180439 445449739 /nfs/dbraw/zinc/44/97/39/445449739.db2.gz BJEALOHFFWNYPC-SFHVURJKSA-N 2 1 330.476 1.537 20 0 EDADMP CN(c1ccccc1C[N@@H+](C)[C@H]1CCNC1=O)C1CC[NH+](C)CC1 ZINC000355180439 445449741 /nfs/dbraw/zinc/44/97/41/445449741.db2.gz BJEALOHFFWNYPC-SFHVURJKSA-N 2 1 330.476 1.537 20 0 EDADMP Cn1nccc1[C@@H]1[C@H](CNC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000348951340 445452176 /nfs/dbraw/zinc/45/21/76/445452176.db2.gz VHZSIGSRFXPMBG-RDJZCZTQSA-N 2 1 333.480 1.261 20 0 EDADMP COC1(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCC(C)CC1 ZINC000355415461 445459363 /nfs/dbraw/zinc/45/93/63/445459363.db2.gz FXXCWCVVLDFPHY-UHFFFAOYSA-N 2 1 347.507 1.913 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000357167989 445464385 /nfs/dbraw/zinc/46/43/85/445464385.db2.gz USGHHODAFWSAGJ-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP COC[C@@]1(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000357272464 445518903 /nfs/dbraw/zinc/51/89/03/445518903.db2.gz MFRSMGCAWZICBM-QUCCMNQESA-N 2 1 345.487 1.783 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000362735771 445524434 /nfs/dbraw/zinc/52/44/34/445524434.db2.gz QWVPNZKDMIPCHD-CJNGLKHVSA-N 2 1 332.448 1.713 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000362746498 445530570 /nfs/dbraw/zinc/53/05/70/445530570.db2.gz VJWNMQYIBZWYMK-NEWSRXKRSA-N 2 1 329.488 1.865 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000362746498 445530573 /nfs/dbraw/zinc/53/05/73/445530573.db2.gz VJWNMQYIBZWYMK-NEWSRXKRSA-N 2 1 329.488 1.865 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000362746498 445530577 /nfs/dbraw/zinc/53/05/77/445530577.db2.gz VJWNMQYIBZWYMK-NEWSRXKRSA-N 2 1 329.488 1.865 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000360026187 445533813 /nfs/dbraw/zinc/53/38/13/445533813.db2.gz XUJWQPCSGQTMGI-CABCVRRESA-N 2 1 336.480 1.561 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000362663031 445485480 /nfs/dbraw/zinc/48/54/80/445485480.db2.gz KMSHCMQBCZWBER-TZMCWYRMSA-N 2 1 346.431 1.292 20 0 EDADMP C[C@H](Nc1cc[nH+]c(N2CCOCC2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000357681775 445576072 /nfs/dbraw/zinc/57/60/72/445576072.db2.gz BJJNRYQREIATIS-MAUKXSAKSA-N 2 1 341.459 2.417 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1C ZINC000362856709 445583467 /nfs/dbraw/zinc/58/34/67/445583467.db2.gz SHXBORPCVLPBKJ-HOCLYGCPSA-N 2 1 328.526 1.405 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000358000246 445599196 /nfs/dbraw/zinc/59/91/96/445599196.db2.gz HZWLSCPNPOBVMW-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000358000246 445599200 /nfs/dbraw/zinc/59/92/00/445599200.db2.gz HZWLSCPNPOBVMW-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000358108482 445605019 /nfs/dbraw/zinc/60/50/19/445605019.db2.gz IYXNPDMEIYPPGY-AWEZNQCLSA-N 2 1 335.452 1.311 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H](N2CCOCC2)[C@@H]1C ZINC000358167122 445609220 /nfs/dbraw/zinc/60/92/20/445609220.db2.gz PWWAQPIUEVKBGO-OWCLPIDISA-N 2 1 326.485 1.220 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000358167122 445609223 /nfs/dbraw/zinc/60/92/23/445609223.db2.gz PWWAQPIUEVKBGO-OWCLPIDISA-N 2 1 326.485 1.220 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000358167122 445609227 /nfs/dbraw/zinc/60/92/27/445609227.db2.gz PWWAQPIUEVKBGO-OWCLPIDISA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000363001438 445644956 /nfs/dbraw/zinc/64/49/56/445644956.db2.gz NNQFPVJDQRRVFG-CRAIPNDOSA-N 2 1 330.476 1.954 20 0 EDADMP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000353537286 445647374 /nfs/dbraw/zinc/64/73/74/445647374.db2.gz WYWMOXBBBZNBRU-RTBURBONSA-N 2 1 345.487 1.769 20 0 EDADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353550255 445652924 /nfs/dbraw/zinc/65/29/24/445652924.db2.gz HDFSKSSWYFHBCB-KGLIPLIRSA-N 2 1 327.469 1.284 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCSC1 ZINC000360248760 445656078 /nfs/dbraw/zinc/65/60/78/445656078.db2.gz JNQZLBARQZPSDE-FMKPAKJESA-N 2 1 326.510 1.350 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353676870 445703250 /nfs/dbraw/zinc/70/32/50/445703250.db2.gz XNCWXGHEUCKPOV-UHFFFAOYSA-N 2 1 335.496 1.854 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H](O)CN2CCC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000349884669 445711648 /nfs/dbraw/zinc/71/16/48/445711648.db2.gz RUWVMRQYZXLYKV-SCTDSRPQSA-N 2 1 339.524 1.407 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC[N@@H+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000349884669 445711653 /nfs/dbraw/zinc/71/16/53/445711653.db2.gz RUWVMRQYZXLYKV-SCTDSRPQSA-N 2 1 339.524 1.407 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC[N@H+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000349884669 445711658 /nfs/dbraw/zinc/71/16/58/445711658.db2.gz RUWVMRQYZXLYKV-SCTDSRPQSA-N 2 1 339.524 1.407 20 0 EDADMP CSC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+](C)CC1 ZINC000360687073 445722103 /nfs/dbraw/zinc/72/21/03/445722103.db2.gz ABVLFBFVCONXFT-HUUCEWRRSA-N 2 1 342.553 1.938 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)CC1 ZINC000361335072 445761337 /nfs/dbraw/zinc/76/13/37/445761337.db2.gz JUIRYASNQAXARX-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000361335072 445761341 /nfs/dbraw/zinc/76/13/41/445761341.db2.gz JUIRYASNQAXARX-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000361335072 445761346 /nfs/dbraw/zinc/76/13/46/445761346.db2.gz JUIRYASNQAXARX-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)CC1 ZINC000361574136 445826706 /nfs/dbraw/zinc/82/67/06/445826706.db2.gz SJZDRBCSGLTPEN-UHFFFAOYSA-N 2 1 329.444 1.404 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)CC1 ZINC000361574136 445826709 /nfs/dbraw/zinc/82/67/09/445826709.db2.gz SJZDRBCSGLTPEN-UHFFFAOYSA-N 2 1 329.444 1.404 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H]2CCC(C)(C)C2)C1 ZINC000361471455 445775484 /nfs/dbraw/zinc/77/54/84/445775484.db2.gz RCCCLWPWTGYMTJ-SJORKVTESA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@@H]2CCC(C)(C)C2)C1 ZINC000361471455 445775491 /nfs/dbraw/zinc/77/54/91/445775491.db2.gz RCCCLWPWTGYMTJ-SJORKVTESA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@@H]2CCC(C)(C)C2)C1 ZINC000361471455 445775497 /nfs/dbraw/zinc/77/54/97/445775497.db2.gz RCCCLWPWTGYMTJ-SJORKVTESA-N 2 1 339.524 1.970 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000353931360 445816775 /nfs/dbraw/zinc/81/67/75/445816775.db2.gz YPWUSSDYTLPLOF-GOEBONIOSA-N 2 1 328.526 1.597 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000353973499 445835362 /nfs/dbraw/zinc/83/53/62/445835362.db2.gz FIDXQDMTPICUJG-UHFFFAOYSA-N 2 1 338.496 1.437 20 0 EDADMP C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000350487805 445837055 /nfs/dbraw/zinc/83/70/55/445837055.db2.gz SPLZBUDSBSSDJN-SFHVURJKSA-N 2 1 342.487 1.401 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1[C@@H]1CCC[NH+]1C ZINC000363520360 445843375 /nfs/dbraw/zinc/84/33/75/445843375.db2.gz QJGKGJXQSMNCHW-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000363520360 445843380 /nfs/dbraw/zinc/84/33/80/445843380.db2.gz QJGKGJXQSMNCHW-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000363520360 445843385 /nfs/dbraw/zinc/84/33/85/445843385.db2.gz QJGKGJXQSMNCHW-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[N@H+](CCCNc2ccnc(N3CCCCC3)n2)C[C@H](C)O1 ZINC000354075596 445887993 /nfs/dbraw/zinc/88/79/93/445887993.db2.gz MMVIZGXIDYLUKA-IYBDPMFKSA-N 2 1 333.480 2.378 20 0 EDADMP C[C@@H]1CN(CCCNc2ccnc(N3CCCCC3)n2)C[C@H](C)O1 ZINC000354075596 445887999 /nfs/dbraw/zinc/88/79/99/445887999.db2.gz MMVIZGXIDYLUKA-IYBDPMFKSA-N 2 1 333.480 2.378 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)c2cccs2)CC1 ZINC000582417144 325842733 /nfs/dbraw/zinc/84/27/33/325842733.db2.gz IJNURXADDOHSDW-WMLDXEAASA-N 2 1 336.505 1.152 20 0 EDADMP Cc1cccn2c(=O)cc(C[N@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)nc12 ZINC000366000972 445953405 /nfs/dbraw/zinc/95/34/05/445953405.db2.gz OFFYACFOTKMVBS-OAHLLOKOSA-N 2 1 337.427 1.894 20 0 EDADMP Cc1cccn2c(=O)cc(C[N@@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)nc12 ZINC000366000972 445953409 /nfs/dbraw/zinc/95/34/09/445953409.db2.gz OFFYACFOTKMVBS-OAHLLOKOSA-N 2 1 337.427 1.894 20 0 EDADMP C[C@H]1COCCN1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354147092 445945614 /nfs/dbraw/zinc/94/56/14/445945614.db2.gz REAUBULRNIXWDH-YJBOKZPZSA-N 2 1 349.450 1.627 20 0 EDADMP C[C@H]1COCCN1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000354147092 445945622 /nfs/dbraw/zinc/94/56/22/445945622.db2.gz REAUBULRNIXWDH-YJBOKZPZSA-N 2 1 349.450 1.627 20 0 EDADMP C[NH+](CCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccc(F)cc1 ZINC000361792649 445950071 /nfs/dbraw/zinc/95/00/71/445950071.db2.gz OUDXJSYJBYCNNU-MRXNPFEDSA-N 2 1 334.439 1.793 20 0 EDADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC000354251052 446045773 /nfs/dbraw/zinc/04/57/73/446045773.db2.gz BUOKPJCMKIDCJD-IKGGRYGDSA-N 2 1 325.497 1.722 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000359222913 446052385 /nfs/dbraw/zinc/05/23/85/446052385.db2.gz JHASRIHIJRTIHL-SFHVURJKSA-N 2 1 342.487 1.971 20 0 EDADMP O=C(NCCC[NH+]1CCc2ccccc2C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359222913 446052391 /nfs/dbraw/zinc/05/23/91/446052391.db2.gz JHASRIHIJRTIHL-SFHVURJKSA-N 2 1 342.487 1.971 20 0 EDADMP O=C(NCCC[NH+]1CCc2ccccc2C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000359222913 446052397 /nfs/dbraw/zinc/05/23/97/446052397.db2.gz JHASRIHIJRTIHL-SFHVURJKSA-N 2 1 342.487 1.971 20 0 EDADMP C[NH+](C)CCCOc1cccc(NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000583317904 326048250 /nfs/dbraw/zinc/04/82/50/326048250.db2.gz DTFJFDVASYFUGK-QGZVFWFLSA-N 2 1 337.464 1.122 20 0 EDADMP C[NH+](C)CCCOc1cccc(NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000583317903 326048459 /nfs/dbraw/zinc/04/84/59/326048459.db2.gz DTFJFDVASYFUGK-KRWDZBQOSA-N 2 1 337.464 1.122 20 0 EDADMP CC1CCC(N2CCN(C(=O)C(=O)N(C)Cc3c[nH]cn3)CC2)CC1 ZINC000583576287 326099308 /nfs/dbraw/zinc/09/93/08/326099308.db2.gz KKBPWFVJNYBGJD-UHFFFAOYSA-N 2 1 347.463 1.091 20 0 EDADMP CC1CCC([NH+]2CCN(C(=O)C(=O)N(C)Cc3cnc[nH]3)CC2)CC1 ZINC000583576287 326099310 /nfs/dbraw/zinc/09/93/10/326099310.db2.gz KKBPWFVJNYBGJD-UHFFFAOYSA-N 2 1 347.463 1.091 20 0 EDADMP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351487583 446088222 /nfs/dbraw/zinc/08/82/22/446088222.db2.gz COQPDNSIVNTKDY-NXNVCVFFSA-N 2 1 331.460 1.884 20 0 EDADMP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351487583 446088226 /nfs/dbraw/zinc/08/82/26/446088226.db2.gz COQPDNSIVNTKDY-NXNVCVFFSA-N 2 1 331.460 1.884 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351476858 446077457 /nfs/dbraw/zinc/07/74/57/446077457.db2.gz LRDAEFRESCJOMK-KSZLIROESA-N 2 1 331.460 1.508 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351476858 446077460 /nfs/dbraw/zinc/07/74/60/446077460.db2.gz LRDAEFRESCJOMK-KSZLIROESA-N 2 1 331.460 1.508 20 0 EDADMP CCN(CC)C(=O)C[N@H+]1CCCN(CCC[NH+](CC)CC)CC1 ZINC000365206872 446078340 /nfs/dbraw/zinc/07/83/40/446078340.db2.gz ZIQKFZACZOALSW-UHFFFAOYSA-N 2 1 326.529 1.594 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@H]2CC[NH+](C)[C@@H]2C1)Cc1ccccc1 ZINC000373191248 446087541 /nfs/dbraw/zinc/08/75/41/446087541.db2.gz QASJDPNZCSWLQW-ZWKOTPCHSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1)Cc1ccccc1 ZINC000373191248 446087547 /nfs/dbraw/zinc/08/75/47/446087547.db2.gz QASJDPNZCSWLQW-ZWKOTPCHSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1)Cc1ccccc1 ZINC000373191248 446087552 /nfs/dbraw/zinc/08/75/52/446087552.db2.gz QASJDPNZCSWLQW-ZWKOTPCHSA-N 2 1 330.476 1.854 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCCN3C(=O)c4ccccc4C3=O)C[C@@H]12 ZINC000351497127 446102657 /nfs/dbraw/zinc/10/26/57/446102657.db2.gz SWIJLFYYQXAANO-KBRIMQKVSA-N 2 1 327.428 1.732 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)C2=O)c1 ZINC000351498394 446102677 /nfs/dbraw/zinc/10/26/77/446102677.db2.gz VPUWSUJRBQMOOB-LSZYVWPRSA-N 2 1 345.443 1.478 20 0 EDADMP C[C@@H](C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000373247167 446120808 /nfs/dbraw/zinc/12/08/08/446120808.db2.gz YLEPSSPWCBVFQR-VQHPVUNQSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000359346518 446165621 /nfs/dbraw/zinc/16/56/21/446165621.db2.gz RCGSQXZQQVTSHR-MAUKXSAKSA-N 2 1 342.487 1.969 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000359346518 446165628 /nfs/dbraw/zinc/16/56/28/446165628.db2.gz RCGSQXZQQVTSHR-MAUKXSAKSA-N 2 1 342.487 1.969 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000359346518 446165631 /nfs/dbraw/zinc/16/56/31/446165631.db2.gz RCGSQXZQQVTSHR-MAUKXSAKSA-N 2 1 342.487 1.969 20 0 EDADMP CC(C)[C@H](C(=O)NCCC[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351570458 446167989 /nfs/dbraw/zinc/16/79/89/446167989.db2.gz ZZCHONLOFBHGTO-IXDOHACOSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[C@H](C(=O)NCCC[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351570458 446167992 /nfs/dbraw/zinc/16/79/92/446167992.db2.gz ZZCHONLOFBHGTO-IXDOHACOSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)[NH+]1CCN(C)CC1 ZINC000370015202 446175188 /nfs/dbraw/zinc/17/51/88/446175188.db2.gz BSZOMIKIMUEZCN-KURKYZTESA-N 2 1 336.524 1.249 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[NH+](C)CC1 ZINC000370015202 446175195 /nfs/dbraw/zinc/17/51/95/446175195.db2.gz BSZOMIKIMUEZCN-KURKYZTESA-N 2 1 336.524 1.249 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[NH+](C)CC1 ZINC000370015202 446175198 /nfs/dbraw/zinc/17/51/98/446175198.db2.gz BSZOMIKIMUEZCN-KURKYZTESA-N 2 1 336.524 1.249 20 0 EDADMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000370269804 446206270 /nfs/dbraw/zinc/20/62/70/446206270.db2.gz WHNHHEHBNYQIFJ-QWRGUYRKSA-N 2 1 347.394 1.815 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000359412573 446207769 /nfs/dbraw/zinc/20/77/69/446207769.db2.gz GWLGGGMYOLSHAG-PBHICJAKSA-N 2 1 337.489 1.656 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351623874 446219044 /nfs/dbraw/zinc/21/90/44/446219044.db2.gz KIDFCSOXRIDCSZ-MWDXBVQZSA-N 2 1 327.513 1.967 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351623874 446219051 /nfs/dbraw/zinc/21/90/51/446219051.db2.gz KIDFCSOXRIDCSZ-MWDXBVQZSA-N 2 1 327.513 1.967 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCCS(C)(=O)=O ZINC000373459762 446224594 /nfs/dbraw/zinc/22/45/94/446224594.db2.gz GVWMKLXUQSBZKK-ZACQAIPSSA-N 2 1 346.537 1.680 20 0 EDADMP C[C@@H](CNC(=O)C1CC[NH+](Cc2cccnc2)CC1)[N@@H+](C)C1CC1 ZINC000365550822 446251178 /nfs/dbraw/zinc/25/11/78/446251178.db2.gz UWVURAFCBUUQDX-HNNXBMFYSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000365564100 446255903 /nfs/dbraw/zinc/25/59/03/446255903.db2.gz DUPXOGHKCWAOMJ-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000366683652 446308546 /nfs/dbraw/zinc/30/85/46/446308546.db2.gz WABBNFKAKGKCRO-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000370573478 446338254 /nfs/dbraw/zinc/33/82/54/446338254.db2.gz FUWRFTFEGXAOLO-KURKYZTESA-N 2 1 339.524 1.576 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000365834376 446362083 /nfs/dbraw/zinc/36/20/83/446362083.db2.gz ACAOBVGFCFGYHV-KZNAEPCWSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000365834376 446362085 /nfs/dbraw/zinc/36/20/85/446362085.db2.gz ACAOBVGFCFGYHV-KZNAEPCWSA-N 2 1 337.508 1.556 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCNCC2(F)F)C1 ZINC000417891144 446376517 /nfs/dbraw/zinc/37/65/17/446376517.db2.gz QNVSZEHYHHMPIH-UONOGXRCSA-N 2 1 332.439 1.508 20 0 EDADMP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420286805 446452401 /nfs/dbraw/zinc/45/24/01/446452401.db2.gz FQOKNDBNENSJHN-GDBMZVCRSA-N 2 1 346.475 1.363 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418082956 446434479 /nfs/dbraw/zinc/43/44/79/446434479.db2.gz YKPGRKOGYMHBRD-HOTGVXAUSA-N 2 1 336.505 1.641 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418082956 446434485 /nfs/dbraw/zinc/43/44/85/446434485.db2.gz YKPGRKOGYMHBRD-HOTGVXAUSA-N 2 1 336.505 1.641 20 0 EDADMP COC(=O)[C@H]1CCC[N@H+]1CC[C@H](C)CC[NH+]1CCC[C@H]1C(=O)OC ZINC000411238661 446438563 /nfs/dbraw/zinc/43/85/63/446438563.db2.gz PLXCUJFCYLUGSB-MUJYYYPQSA-N 2 1 340.464 1.678 20 0 EDADMP COC(=O)[C@H]1CCC[NH+]1CC[C@H](C)CC[N@@H+]1CCC[C@H]1C(=O)OC ZINC000411238661 446438571 /nfs/dbraw/zinc/43/85/71/446438571.db2.gz PLXCUJFCYLUGSB-MUJYYYPQSA-N 2 1 340.464 1.678 20 0 EDADMP COC(=O)[C@H]1CCC[NH+]1CC[C@H](C)CC[N@H+]1CCC[C@H]1C(=O)OC ZINC000411238661 446438577 /nfs/dbraw/zinc/43/85/77/446438577.db2.gz PLXCUJFCYLUGSB-MUJYYYPQSA-N 2 1 340.464 1.678 20 0 EDADMP Clc1cnn2cc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cnc12 ZINC000423147929 446439714 /nfs/dbraw/zinc/43/97/14/446439714.db2.gz UBOKLACOLKNYRF-FVQBIDKESA-N 2 1 349.866 1.672 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)CC1 ZINC000366986440 446446377 /nfs/dbraw/zinc/44/63/77/446446377.db2.gz DYZZSDWUGJEHBZ-QGZVFWFLSA-N 2 1 346.523 1.654 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374829818 446410004 /nfs/dbraw/zinc/41/00/04/446410004.db2.gz VNTDUXHEFPBWKH-FUHWJXTLSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374829818 446410008 /nfs/dbraw/zinc/41/00/08/446410008.db2.gz VNTDUXHEFPBWKH-FUHWJXTLSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000418006860 446413490 /nfs/dbraw/zinc/41/34/90/446413490.db2.gz FMPGLYAMXGJCOG-RYQLBKOJSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418015177 446416847 /nfs/dbraw/zinc/41/68/47/446416847.db2.gz PPVSHBQCZIFOTJ-BGTYHANMSA-N 2 1 330.476 1.934 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000370767700 446425740 /nfs/dbraw/zinc/42/57/40/446425740.db2.gz VQMKYEDYBDRNMC-IEBWSBKVSA-N 2 1 332.492 1.609 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000418199090 446455823 /nfs/dbraw/zinc/45/58/23/446455823.db2.gz MUFBNYWLAZRKQK-JKSUJKDBSA-N 2 1 340.512 1.504 20 0 EDADMP [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000418237852 446468261 /nfs/dbraw/zinc/46/82/61/446468261.db2.gz NLUHULZOQOYLEE-HNNXBMFYSA-N 2 1 327.432 1.828 20 0 EDADMP C[N@H+](Cc1ccccc1)C1(CNC(=O)NCC(F)(F)C[NH3+])CCC1 ZINC000418247455 446472596 /nfs/dbraw/zinc/47/25/96/446472596.db2.gz QZJRSZCBRFLNRA-UHFFFAOYSA-N 2 1 340.418 1.934 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)NCC(F)(F)C[NH3+])CCC1 ZINC000418247455 446472599 /nfs/dbraw/zinc/47/25/99/446472599.db2.gz QZJRSZCBRFLNRA-UHFFFAOYSA-N 2 1 340.418 1.934 20 0 EDADMP CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000367030699 446476114 /nfs/dbraw/zinc/47/61/14/446476114.db2.gz RRNLQSJOQFCYAK-VQIMIIECSA-N 2 1 344.503 1.504 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000367030699 446476119 /nfs/dbraw/zinc/47/61/19/446476119.db2.gz RRNLQSJOQFCYAK-VQIMIIECSA-N 2 1 344.503 1.504 20 0 EDADMP C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000374967146 446488133 /nfs/dbraw/zinc/48/81/33/446488133.db2.gz YZAFQVVNRZKDCQ-UXLLHSPISA-N 2 1 345.491 1.768 20 0 EDADMP C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000374967146 446488136 /nfs/dbraw/zinc/48/81/36/446488136.db2.gz YZAFQVVNRZKDCQ-UXLLHSPISA-N 2 1 345.491 1.768 20 0 EDADMP C[C@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000423328994 446489310 /nfs/dbraw/zinc/48/93/10/446489310.db2.gz MOXZKQBPKJSGGD-BZUAXINKSA-N 2 1 347.507 1.737 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418314853 446496212 /nfs/dbraw/zinc/49/62/12/446496212.db2.gz JWNVURDPUZIVQN-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418314853 446496214 /nfs/dbraw/zinc/49/62/14/446496214.db2.gz JWNVURDPUZIVQN-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418313625 446495621 /nfs/dbraw/zinc/49/56/21/446495621.db2.gz QWNNJBFKHKTLQO-ARFHVFGLSA-N 2 1 326.485 1.127 20 0 EDADMP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c(C)n1 ZINC000411358916 446504420 /nfs/dbraw/zinc/50/44/20/446504420.db2.gz QKDNPQFUELTMJS-HUUCEWRRSA-N 2 1 330.432 1.498 20 0 EDADMP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c(C)n1 ZINC000411358916 446504427 /nfs/dbraw/zinc/50/44/27/446504427.db2.gz QKDNPQFUELTMJS-HUUCEWRRSA-N 2 1 330.432 1.498 20 0 EDADMP Cc1cccc2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc(=O)n12 ZINC000420338230 446508309 /nfs/dbraw/zinc/50/83/09/446508309.db2.gz XOGMDRRJWXDKKE-HOTGVXAUSA-N 2 1 326.444 1.824 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000423386391 446511887 /nfs/dbraw/zinc/51/18/87/446511887.db2.gz LEKBQSBGRLQLTI-HLLBOEOZSA-N 2 1 333.476 1.626 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H]1Cc1ccccc1 ZINC000418363508 446514931 /nfs/dbraw/zinc/51/49/31/446514931.db2.gz FTKSMTDUVNEIFE-ZWKOTPCHSA-N 2 1 330.476 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H]1Cc1ccccc1 ZINC000418363508 446514936 /nfs/dbraw/zinc/51/49/36/446514936.db2.gz FTKSMTDUVNEIFE-ZWKOTPCHSA-N 2 1 330.476 1.697 20 0 EDADMP C[NH2+]CCCN(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000420383574 446558167 /nfs/dbraw/zinc/55/81/67/446558167.db2.gz BWPXXESAZQNIJE-UHFFFAOYSA-N 2 1 346.519 1.571 20 0 EDADMP O=C(NCC1C[NH2+]C1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418483790 446560671 /nfs/dbraw/zinc/56/06/71/446560671.db2.gz FXKOYDTXEMRDBO-RTBURBONSA-N 2 1 342.487 1.902 20 0 EDADMP COC(=O)c1ccc(F)c(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000420386310 446561051 /nfs/dbraw/zinc/56/10/51/446561051.db2.gz IBMPSOKEECGLPT-WBVHZDCISA-N 2 1 348.418 1.813 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000418491197 446563876 /nfs/dbraw/zinc/56/38/76/446563876.db2.gz OADLMEDRSUKIBI-CABCVRRESA-N 2 1 348.491 1.693 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000418491199 446563947 /nfs/dbraw/zinc/56/39/47/446563947.db2.gz OADLMEDRSUKIBI-HUUCEWRRSA-N 2 1 348.491 1.693 20 0 EDADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346921 446521588 /nfs/dbraw/zinc/52/15/88/446521588.db2.gz FAMOQRRMMDYLOV-SJLPKXTDSA-N 2 1 330.476 1.610 20 0 EDADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346921 446521593 /nfs/dbraw/zinc/52/15/93/446521593.db2.gz FAMOQRRMMDYLOV-SJLPKXTDSA-N 2 1 330.476 1.610 20 0 EDADMP O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346777 446522030 /nfs/dbraw/zinc/52/20/30/446522030.db2.gz DNVSBWJAIDLFIG-QZTJIDSGSA-N 2 1 346.450 1.125 20 0 EDADMP O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346777 446522034 /nfs/dbraw/zinc/52/20/34/446522034.db2.gz DNVSBWJAIDLFIG-QZTJIDSGSA-N 2 1 346.450 1.125 20 0 EDADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347478 446523330 /nfs/dbraw/zinc/52/33/30/446523330.db2.gz GWABLBOKYAWVQF-CRAIPNDOSA-N 2 1 348.466 1.325 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC(CO)CC2)CC1 ZINC000411404803 446523645 /nfs/dbraw/zinc/52/36/45/446523645.db2.gz ZLRVFNHPZUPUDR-UHFFFAOYSA-N 2 1 325.497 1.458 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418387982 446525016 /nfs/dbraw/zinc/52/50/16/446525016.db2.gz UPWLTOOCVRXAJZ-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423418143 446526521 /nfs/dbraw/zinc/52/65/21/446526521.db2.gz UGAGSRAHUBSZGZ-QZTJIDSGSA-N 2 1 345.491 1.802 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[C@H]([NH3+])[C@@H]3C)CC2)c1 ZINC000420350450 446528145 /nfs/dbraw/zinc/52/81/45/446528145.db2.gz GWZXOPMEHPDKON-WMZOPIPTSA-N 2 1 330.476 1.061 20 0 EDADMP CCc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420350116 446528738 /nfs/dbraw/zinc/52/87/38/446528738.db2.gz RJLDOHQYKVINSV-QFBILLFUSA-N 2 1 344.503 1.406 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411414740 446529491 /nfs/dbraw/zinc/52/94/91/446529491.db2.gz BYDJDRPXHZIYTD-GOSISDBHSA-N 2 1 348.466 1.500 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418402344 446530672 /nfs/dbraw/zinc/53/06/72/446530672.db2.gz ZDNYEBDWYOERMX-LPHOPBHVSA-N 2 1 348.491 1.120 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000433138805 446534696 /nfs/dbraw/zinc/53/46/96/446534696.db2.gz UJSVNICNHHQRCM-HOTGVXAUSA-N 2 1 332.448 1.306 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000433138805 446534704 /nfs/dbraw/zinc/53/47/04/446534704.db2.gz UJSVNICNHHQRCM-HOTGVXAUSA-N 2 1 332.448 1.306 20 0 EDADMP C[N@@H+](CCCn1ccnc1)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000411429223 446538191 /nfs/dbraw/zinc/53/81/91/446538191.db2.gz UCMYKQZOANZQCG-UHFFFAOYSA-N 2 1 329.404 1.333 20 0 EDADMP O=C(CC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21)N1CC[NH2+]CC1 ZINC000420362173 446541314 /nfs/dbraw/zinc/54/13/14/446541314.db2.gz APYUYFSPZUYXQA-MRXNPFEDSA-N 2 1 341.459 1.323 20 0 EDADMP C[N@H+]1CC=C(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000375049532 446541988 /nfs/dbraw/zinc/54/19/88/446541988.db2.gz NKFAPKNRESUQGE-DLBZAZTESA-N 2 1 336.480 1.191 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000375049532 446541997 /nfs/dbraw/zinc/54/19/97/446541997.db2.gz NKFAPKNRESUQGE-DLBZAZTESA-N 2 1 336.480 1.191 20 0 EDADMP O=C(NCC[NH2+]C1CCCCCC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418448670 446546447 /nfs/dbraw/zinc/54/64/47/446546447.db2.gz RFSVGANNRGJJHH-QGZVFWFLSA-N 2 1 340.512 1.445 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000420368571 446546616 /nfs/dbraw/zinc/54/66/16/446546616.db2.gz UFTSFTFOLFVVMA-SFHVURJKSA-N 2 1 344.503 1.309 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000420376733 446554411 /nfs/dbraw/zinc/55/44/11/446554411.db2.gz KEGXXHFOTQTMKM-HOCLYGCPSA-N 2 1 349.475 1.579 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000420376733 446554415 /nfs/dbraw/zinc/55/44/15/446554415.db2.gz KEGXXHFOTQTMKM-HOCLYGCPSA-N 2 1 349.475 1.579 20 0 EDADMP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420377487 446554674 /nfs/dbraw/zinc/55/46/74/446554674.db2.gz LCPCADMUWMMDQR-RDJZCZTQSA-N 2 1 333.476 1.960 20 0 EDADMP CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420377487 446554679 /nfs/dbraw/zinc/55/46/79/446554679.db2.gz LCPCADMUWMMDQR-RDJZCZTQSA-N 2 1 333.476 1.960 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000433989059 446613708 /nfs/dbraw/zinc/61/37/08/446613708.db2.gz VSRZNNYYIXPTSY-UHFFFAOYSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000433989059 446613715 /nfs/dbraw/zinc/61/37/15/446613715.db2.gz VSRZNNYYIXPTSY-UHFFFAOYSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000376632358 446617643 /nfs/dbraw/zinc/61/76/43/446617643.db2.gz LXTTZJBXKRBXQL-QGZVFWFLSA-N 2 1 325.497 1.866 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000376632358 446617651 /nfs/dbraw/zinc/61/76/51/446617651.db2.gz LXTTZJBXKRBXQL-QGZVFWFLSA-N 2 1 325.497 1.866 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000376632358 446617657 /nfs/dbraw/zinc/61/76/57/446617657.db2.gz LXTTZJBXKRBXQL-QGZVFWFLSA-N 2 1 325.497 1.866 20 0 EDADMP CN1CCN(c2ncc(C[NH2+]CCCC[N@@H+](C)C3CC3)cn2)CC1 ZINC000453596604 446568878 /nfs/dbraw/zinc/56/88/78/446568878.db2.gz LYMLMKLFJDVBEJ-UHFFFAOYSA-N 2 1 332.496 1.192 20 0 EDADMP C[N@H+](CCCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000453596604 446568882 /nfs/dbraw/zinc/56/88/82/446568882.db2.gz LYMLMKLFJDVBEJ-UHFFFAOYSA-N 3 1 332.496 1.192 20 0 EDADMP C[N@@H+](CCCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000453596604 446568890 /nfs/dbraw/zinc/56/88/90/446568890.db2.gz LYMLMKLFJDVBEJ-UHFFFAOYSA-N 3 1 332.496 1.192 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418500517 446569103 /nfs/dbraw/zinc/56/91/03/446569103.db2.gz PXTGBBLDMJQCIH-WMZOPIPTSA-N 2 1 330.476 1.887 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418503475 446569501 /nfs/dbraw/zinc/56/95/01/446569501.db2.gz XVLZFHAPJMTMAU-QZTJIDSGSA-N 2 1 345.491 1.815 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC1([NH3+])CCC1 ZINC000418505542 446570651 /nfs/dbraw/zinc/57/06/51/446570651.db2.gz DFXOYYCQMWJIOF-QGZVFWFLSA-N 2 1 345.491 1.959 20 0 EDADMP Cc1ccc(F)c(N2CCC[C@@H]([NH+]3CCC(O)(C[NH3+])CC3)C2=O)c1 ZINC000420401959 446574581 /nfs/dbraw/zinc/57/45/81/446574581.db2.gz HHLMCEXMQSBWJB-OAHLLOKOSA-N 2 1 335.423 1.415 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)CC[NH3+] ZINC000418515573 446576438 /nfs/dbraw/zinc/57/64/38/446576438.db2.gz BQHLSLIWJJIZEX-WBVHZDCISA-N 2 1 333.480 1.815 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000420403465 446576732 /nfs/dbraw/zinc/57/67/32/446576732.db2.gz KYWVMBSQKAEPIC-HKUYNNGSSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000420403465 446576738 /nfs/dbraw/zinc/57/67/38/446576738.db2.gz KYWVMBSQKAEPIC-HKUYNNGSSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@H]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000420403465 446576744 /nfs/dbraw/zinc/57/67/44/446576744.db2.gz KYWVMBSQKAEPIC-HKUYNNGSSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420416870 446590043 /nfs/dbraw/zinc/59/00/43/446590043.db2.gz VZJZLTMLQZVZAS-KLHDSHLOSA-N 2 1 347.459 1.248 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420416870 446590048 /nfs/dbraw/zinc/59/00/48/446590048.db2.gz VZJZLTMLQZVZAS-KLHDSHLOSA-N 2 1 347.459 1.248 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000418591209 446605516 /nfs/dbraw/zinc/60/55/16/446605516.db2.gz CFQPVYGAMOPSNV-WMZOPIPTSA-N 2 1 330.476 1.963 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1C[C@@H](C)O ZINC000418667477 446641720 /nfs/dbraw/zinc/64/17/20/446641720.db2.gz MQZDQUVIHOGMPF-QBPKDAKJSA-N 2 1 340.512 1.238 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000423721552 446659455 /nfs/dbraw/zinc/65/94/55/446659455.db2.gz ISZDTKLENGCUIF-UHFFFAOYSA-N 2 1 331.460 1.169 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000371089003 446620714 /nfs/dbraw/zinc/62/07/14/446620714.db2.gz PXCBAMAICLKFQQ-XWIAVFTESA-N 2 1 328.460 1.955 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000371089003 446620721 /nfs/dbraw/zinc/62/07/21/446620721.db2.gz PXCBAMAICLKFQQ-XWIAVFTESA-N 2 1 328.460 1.955 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000371089003 446620724 /nfs/dbraw/zinc/62/07/24/446620724.db2.gz PXCBAMAICLKFQQ-XWIAVFTESA-N 2 1 328.460 1.955 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371089003 446620732 /nfs/dbraw/zinc/62/07/32/446620732.db2.gz PXCBAMAICLKFQQ-XWIAVFTESA-N 2 1 328.460 1.955 20 0 EDADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418646185 446629992 /nfs/dbraw/zinc/62/99/92/446629992.db2.gz WSACQPKLJIMQAF-AEFFLSMTSA-N 2 1 346.475 1.019 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418644948 446630476 /nfs/dbraw/zinc/63/04/76/446630476.db2.gz VOBNHTZCRGXJLG-QGPMSJSTSA-N 2 1 328.460 1.752 20 0 EDADMP COC[C@]1(CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCC[NH2+]1 ZINC000418650009 446633484 /nfs/dbraw/zinc/63/34/84/446633484.db2.gz FKADXSXNWUXHLG-SJLPKXTDSA-N 2 1 338.496 1.128 20 0 EDADMP CN(C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376776432 446712399 /nfs/dbraw/zinc/71/23/99/446712399.db2.gz HWPMMDQQVMFTLU-HTYVYXPBSA-N 2 1 336.480 1.116 20 0 EDADMP CC(C)([NH3+])CNC(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000418815496 446720843 /nfs/dbraw/zinc/72/08/43/446720843.db2.gz KOCMMYYSXJSJND-LJQANCHMSA-N 2 1 346.475 1.011 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CCC[NH2+]C)C1 ZINC000418854542 446754083 /nfs/dbraw/zinc/75/40/83/446754083.db2.gz BNLDRXCLDZDUQG-HNNXBMFYSA-N 2 1 340.512 1.071 20 0 EDADMP C[C@@H]1C[N@@H+](CCC(=O)NC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371305637 446761045 /nfs/dbraw/zinc/76/10/45/446761045.db2.gz ZOJPOFYNRKOYQG-SJLPKXTDSA-N 2 1 336.524 1.393 20 0 EDADMP COC(=O)c1ccnc(N2CCC[N@H+](CC[C@H]3CCC[NH+]3C)CC2)c1 ZINC000371327130 446775888 /nfs/dbraw/zinc/77/58/88/446775888.db2.gz UNAUFLMNGSDTDC-QGZVFWFLSA-N 2 1 346.475 1.865 20 0 EDADMP COC(=O)c1ccnc(N2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)CC2)c1 ZINC000371327130 446775895 /nfs/dbraw/zinc/77/58/95/446775895.db2.gz UNAUFLMNGSDTDC-QGZVFWFLSA-N 2 1 346.475 1.865 20 0 EDADMP COC(=O)c1ccnc(N2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000371327130 446775902 /nfs/dbraw/zinc/77/59/02/446775902.db2.gz UNAUFLMNGSDTDC-QGZVFWFLSA-N 2 1 346.475 1.865 20 0 EDADMP COC(=O)c1ccnc(N2CCC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000371327130 446775911 /nfs/dbraw/zinc/77/59/11/446775911.db2.gz UNAUFLMNGSDTDC-QGZVFWFLSA-N 2 1 346.475 1.865 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[C@@H](C)[NH3+] ZINC000423931665 446784056 /nfs/dbraw/zinc/78/40/56/446784056.db2.gz MOITZTWACNONMP-YQFWSFKMSA-N 2 1 335.496 1.539 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423934917 446786840 /nfs/dbraw/zinc/78/68/40/446786840.db2.gz XHJFMUJUBHJJPX-KYHPRHEASA-N 2 1 347.507 1.636 20 0 EDADMP C[C@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423886037 446744068 /nfs/dbraw/zinc/74/40/68/446744068.db2.gz ZOYNIUBHPPXDHZ-IPELMVKDSA-N 2 1 345.487 1.767 20 0 EDADMP CC(C)[C@H](CNC(=O)NCCCC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000454225596 446813969 /nfs/dbraw/zinc/81/39/69/446813969.db2.gz IXRZTNPFAPMZJN-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[C@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000454225596 446813976 /nfs/dbraw/zinc/81/39/76/446813976.db2.gz IXRZTNPFAPMZJN-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP CN(C(=O)NCC1(N2CCOCC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376944974 446814363 /nfs/dbraw/zinc/81/43/63/446814363.db2.gz FRMYZNYUXBTUSJ-XYPWUTKMSA-N 2 1 336.480 1.118 20 0 EDADMP C[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CCCCC1)Cc1ccccc1 ZINC000418940380 446814354 /nfs/dbraw/zinc/81/43/54/446814354.db2.gz JACGRKRIOLEDBG-UHFFFAOYSA-N 2 1 346.475 1.012 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000424002433 446818888 /nfs/dbraw/zinc/81/88/88/446818888.db2.gz QGHWPTBLBKFTFS-UTSKFRMZSA-N 2 1 325.497 1.564 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424018539 446824667 /nfs/dbraw/zinc/82/46/67/446824667.db2.gz JQASDWSMTDUEJV-MSOLQXFVSA-N 2 1 344.503 1.484 20 0 EDADMP C[C@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000424018695 446825668 /nfs/dbraw/zinc/82/56/68/446825668.db2.gz QNRZBDGOZGXINR-HKUYNNGSSA-N 2 1 344.503 1.248 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CCCO1 ZINC000424019492 446826690 /nfs/dbraw/zinc/82/66/90/446826690.db2.gz KEXHQNUZWQLTCB-ZWKOTPCHSA-N 2 1 331.460 1.617 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000419028669 446873628 /nfs/dbraw/zinc/87/36/28/446873628.db2.gz RGFGFGLZPFHJRU-QGZVFWFLSA-N 2 1 346.475 1.094 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000420903457 446880711 /nfs/dbraw/zinc/88/07/11/446880711.db2.gz ATIQWDPTJRQMDW-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000419042687 446881958 /nfs/dbraw/zinc/88/19/58/446881958.db2.gz HYIZQZVUTYYQJE-DOTOQJQBSA-N 2 1 346.475 1.006 20 0 EDADMP COCCO[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420914747 446886450 /nfs/dbraw/zinc/88/64/50/446886450.db2.gz CVEDVHUEDAFVFJ-IBGZPJMESA-N 2 1 334.460 1.756 20 0 EDADMP COCCO[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420914747 446886456 /nfs/dbraw/zinc/88/64/56/446886456.db2.gz CVEDVHUEDAFVFJ-IBGZPJMESA-N 2 1 334.460 1.756 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[N@H+](C)C4)C[C@H]21 ZINC000371504130 446898601 /nfs/dbraw/zinc/89/86/01/446898601.db2.gz CRFUOEQBCFTLPC-CXAGYDPISA-N 2 1 342.443 1.123 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[N@@H+](C)C4)C[C@H]21 ZINC000371504130 446898611 /nfs/dbraw/zinc/89/86/11/446898611.db2.gz CRFUOEQBCFTLPC-CXAGYDPISA-N 2 1 342.443 1.123 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)[C@@H]4C3)cc2C1 ZINC000371504130 446898614 /nfs/dbraw/zinc/89/86/14/446898614.db2.gz CRFUOEQBCFTLPC-CXAGYDPISA-N 2 1 342.443 1.123 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)[C@@H]4C3)cc2C1 ZINC000371504130 446898622 /nfs/dbraw/zinc/89/86/22/446898622.db2.gz CRFUOEQBCFTLPC-CXAGYDPISA-N 2 1 342.443 1.123 20 0 EDADMP Cc1cc(N2CCC([N@@H+](C)CCN3CCOC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000375597597 446914836 /nfs/dbraw/zinc/91/48/36/446914836.db2.gz NADZYCBJCSQVKN-INIZCTEOSA-N 2 1 347.507 1.715 20 0 EDADMP Cc1cc(N2CCC([N@H+](C)CCN3CCOC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000375597597 446914838 /nfs/dbraw/zinc/91/48/38/446914838.db2.gz NADZYCBJCSQVKN-INIZCTEOSA-N 2 1 347.507 1.715 20 0 EDADMP C[C@H]1COCCN1CC[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000368539722 446931329 /nfs/dbraw/zinc/93/13/29/446931329.db2.gz QCSFZDCTXFJBGE-INIZCTEOSA-N 2 1 325.497 1.282 20 0 EDADMP C[C@H]1COCCN1CC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000368539722 446931334 /nfs/dbraw/zinc/93/13/34/446931334.db2.gz QCSFZDCTXFJBGE-INIZCTEOSA-N 2 1 325.497 1.282 20 0 EDADMP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442756015 446954356 /nfs/dbraw/zinc/95/43/56/446954356.db2.gz DBECEVCPNHZIAD-MAUKXSAKSA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)OCc1ccc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442756015 446954361 /nfs/dbraw/zinc/95/43/61/446954361.db2.gz DBECEVCPNHZIAD-MAUKXSAKSA-N 2 1 333.476 1.897 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000371833151 446969872 /nfs/dbraw/zinc/96/98/72/446969872.db2.gz VVXYGUKFEYJUDM-KRWDZBQOSA-N 2 1 336.524 1.489 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000371833151 446969879 /nfs/dbraw/zinc/96/98/79/446969879.db2.gz VVXYGUKFEYJUDM-KRWDZBQOSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000371888717 446973529 /nfs/dbraw/zinc/97/35/29/446973529.db2.gz QYJWBVQZWIHWAS-INMHGKMJSA-N 2 1 346.475 1.767 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000371888717 446973533 /nfs/dbraw/zinc/97/35/33/446973533.db2.gz QYJWBVQZWIHWAS-INMHGKMJSA-N 2 1 346.475 1.767 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419166249 446983814 /nfs/dbraw/zinc/98/38/14/446983814.db2.gz HJDBTYWOUAMQPN-OAHLLOKOSA-N 2 1 338.496 1.001 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CCC[C@H](CC[NH3+])C3)C2=O)c1 ZINC000443058700 447000614 /nfs/dbraw/zinc/00/06/14/447000614.db2.gz LCXUTOGGRPAPRK-KDOFPFPSSA-N 2 1 347.459 1.870 20 0 EDADMP COC1(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)CC[NH2+]CC1 ZINC000372099678 447000609 /nfs/dbraw/zinc/00/06/09/447000609.db2.gz XOQWTFXUGCPAOF-HIFRSBDPSA-N 2 1 337.489 1.626 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC[NH+](CC(C)(C)O)CC2)C1 ZINC000368696716 447047765 /nfs/dbraw/zinc/04/77/65/447047765.db2.gz NBGCLYLIRUMXGI-INIZCTEOSA-N 2 1 340.512 1.207 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)C1 ZINC000368696716 447047772 /nfs/dbraw/zinc/04/77/72/447047772.db2.gz NBGCLYLIRUMXGI-INIZCTEOSA-N 2 1 340.512 1.207 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)C1 ZINC000368696716 447047776 /nfs/dbraw/zinc/04/77/76/447047776.db2.gz NBGCLYLIRUMXGI-INIZCTEOSA-N 2 1 340.512 1.207 20 0 EDADMP CCCNC(=O)NC(=O)CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372524841 447110134 /nfs/dbraw/zinc/11/01/34/447110134.db2.gz FYXXSOUGLNYKRP-RDJZCZTQSA-N 2 1 347.463 1.242 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000372570057 447149381 /nfs/dbraw/zinc/14/93/81/447149381.db2.gz CSDJNFUILQSVPT-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000372570057 447149384 /nfs/dbraw/zinc/14/93/84/447149384.db2.gz CSDJNFUILQSVPT-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP CC1CC[NH+](CCCNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC000419398799 447150815 /nfs/dbraw/zinc/15/08/15/447150815.db2.gz HTZLPPGEOKEMAA-DLBZAZTESA-N 2 1 340.512 1.205 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)cc2)CC1 ZINC000375930303 447156523 /nfs/dbraw/zinc/15/65/23/447156523.db2.gz HRNREUHFOYPTHO-IEBWSBKVSA-N 2 1 342.487 1.258 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1COc2cccc(Cl)c21 ZINC000377437470 447132858 /nfs/dbraw/zinc/13/28/58/447132858.db2.gz CYBPBZKLOBWKTL-CYBMUJFWSA-N 2 1 338.839 1.610 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000419453388 447186929 /nfs/dbraw/zinc/18/69/29/447186929.db2.gz XSJZRYMGVCCUQD-BRWVUGGUSA-N 2 1 340.512 1.203 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C ZINC000419456457 447190156 /nfs/dbraw/zinc/19/01/56/447190156.db2.gz ABHYQAPHMLMCKO-GVDBMIGSSA-N 2 1 340.512 1.347 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000445871992 447201480 /nfs/dbraw/zinc/20/14/80/447201480.db2.gz PWVYGYWZVRJUFP-HNNXBMFYSA-N 2 1 326.485 1.127 20 0 EDADMP OC1(CNc2[nH+]cnc3[nH]ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000413584180 447212516 /nfs/dbraw/zinc/21/25/16/447212516.db2.gz NWYFCVKVCJULBT-UHFFFAOYSA-N 2 1 337.427 2.397 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419431276 447170341 /nfs/dbraw/zinc/17/03/41/447170341.db2.gz XEBFKTOGVVURTP-XHSDSOJGSA-N 2 1 340.512 1.104 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)Cc1ccccc1 ZINC000425648569 447253193 /nfs/dbraw/zinc/25/31/93/447253193.db2.gz VBJSWYKCOMAZFD-IPMKNSEASA-N 2 1 344.503 1.895 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000377586125 447225379 /nfs/dbraw/zinc/22/53/79/447225379.db2.gz WPGZOOADCIURMD-INIZCTEOSA-N 2 1 333.432 1.001 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cnn4ccccc34)C2)CC1 ZINC000377632583 447259143 /nfs/dbraw/zinc/25/91/43/447259143.db2.gz TUWQPXXPTIAXIP-GOSISDBHSA-N 2 1 327.476 1.936 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cnn4ccccc34)C2)CC1 ZINC000377632583 447259145 /nfs/dbraw/zinc/25/91/45/447259145.db2.gz TUWQPXXPTIAXIP-GOSISDBHSA-N 2 1 327.476 1.936 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CCCO1 ZINC000425733421 447282920 /nfs/dbraw/zinc/28/29/20/447282920.db2.gz AKPMWHGRRFRSIO-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CCCO1 ZINC000425733421 447282928 /nfs/dbraw/zinc/28/29/28/447282928.db2.gz AKPMWHGRRFRSIO-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CC[C@@H]3OCC(=O)N[C@@H]3C2)cc1 ZINC000377703086 447303734 /nfs/dbraw/zinc/30/37/34/447303734.db2.gz QJYWSSCRBNNYKC-VHSSKADRSA-N 2 1 340.427 1.831 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CC[C@@H]3OCC(=O)N[C@@H]3C2)cc1 ZINC000377703086 447303741 /nfs/dbraw/zinc/30/37/41/447303741.db2.gz QJYWSSCRBNNYKC-VHSSKADRSA-N 2 1 340.427 1.831 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1 ZINC000377703085 447304394 /nfs/dbraw/zinc/30/43/94/447304394.db2.gz QJYWSSCRBNNYKC-MORSLUCNSA-N 2 1 340.427 1.831 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1 ZINC000377703085 447304396 /nfs/dbraw/zinc/30/43/96/447304396.db2.gz QJYWSSCRBNNYKC-MORSLUCNSA-N 2 1 340.427 1.831 20 0 EDADMP COCCOC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000450345911 447462863 /nfs/dbraw/zinc/46/28/63/447462863.db2.gz CIRBZMBODUTXLN-ROUUACIJSA-N 2 1 328.497 1.598 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000389925536 447488225 /nfs/dbraw/zinc/48/82/25/447488225.db2.gz VUCSWTZZSFNLSP-TZMCWYRMSA-N 2 1 330.457 1.852 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000389925536 447488229 /nfs/dbraw/zinc/48/82/29/447488229.db2.gz VUCSWTZZSFNLSP-TZMCWYRMSA-N 2 1 330.457 1.852 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)[C@@H](C)c3ccccc3)C2)CC1 ZINC000450388768 447473666 /nfs/dbraw/zinc/47/36/66/447473666.db2.gz JNTDBYXWVLVKOO-DFQSSKMNSA-N 2 1 331.504 1.863 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccco1 ZINC000457429710 447579252 /nfs/dbraw/zinc/57/92/52/447579252.db2.gz ABNJXBBGJFMQJW-CABCVRRESA-N 2 1 338.452 1.028 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)c1ccco1 ZINC000457429710 447579257 /nfs/dbraw/zinc/57/92/57/447579257.db2.gz ABNJXBBGJFMQJW-CABCVRRESA-N 2 1 338.452 1.028 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@H]3CN(C)C(=O)O3)CC2)C[C@H](C)O1 ZINC000495796189 447584699 /nfs/dbraw/zinc/58/46/99/447584699.db2.gz UCZQRXLPQLHWFH-HLLBOEOZSA-N 2 1 339.480 1.648 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416246021 447548451 /nfs/dbraw/zinc/54/84/51/447548451.db2.gz ZCXXFQYTRHDRFX-UHFFFAOYSA-N 2 1 341.459 1.832 20 0 EDADMP C[N@H+](C[C@H]1CCNC(=O)CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450779633 447572642 /nfs/dbraw/zinc/57/26/42/447572642.db2.gz NUXNKAKHQKTVPR-UYAOXDASSA-N 2 1 345.487 1.472 20 0 EDADMP C[N@@H+](C[C@H]1CCNC(=O)CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450779633 447572648 /nfs/dbraw/zinc/57/26/48/447572648.db2.gz NUXNKAKHQKTVPR-UYAOXDASSA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+](C[C@H]1CCNC(=O)CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000450779633 447572653 /nfs/dbraw/zinc/57/26/53/447572653.db2.gz NUXNKAKHQKTVPR-UYAOXDASSA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+](C[C@H]1CCNC(=O)CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450779633 447572656 /nfs/dbraw/zinc/57/26/56/447572656.db2.gz NUXNKAKHQKTVPR-UYAOXDASSA-N 2 1 345.487 1.472 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])C(=O)OC ZINC000404323024 447599669 /nfs/dbraw/zinc/59/96/69/447599669.db2.gz SBBILMXRWKBXHY-FQLMCAECSA-N 2 1 327.469 1.140 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])C(=O)OC ZINC000404323024 447599674 /nfs/dbraw/zinc/59/96/74/447599674.db2.gz SBBILMXRWKBXHY-FQLMCAECSA-N 2 1 327.469 1.140 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC(C)(C)C[NH+](C)C)C[C@H](C)O1 ZINC000457573109 447601418 /nfs/dbraw/zinc/60/14/18/447601418.db2.gz SDCFXSCTRLXOPG-OKILXGFUSA-N 2 1 328.501 1.514 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC(C)(C)C[NH+](C)C)C[C@H](C)O1 ZINC000457573109 447601422 /nfs/dbraw/zinc/60/14/22/447601422.db2.gz SDCFXSCTRLXOPG-OKILXGFUSA-N 2 1 328.501 1.514 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(c2nc(N[C@@H]3CCCO[C@@H]3C(C)C)cc[nH+]2)C1 ZINC000420117843 447612419 /nfs/dbraw/zinc/61/24/19/447612419.db2.gz HWLYHNPNZUIQNC-LZLYRXPVSA-N 2 1 347.507 2.528 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000416910557 447706128 /nfs/dbraw/zinc/70/61/28/447706128.db2.gz AOQRBWNYFYRMOA-KLHDSHLOSA-N 2 1 340.512 1.691 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000416912961 447706684 /nfs/dbraw/zinc/70/66/84/447706684.db2.gz DGOVVTQLRGOKHF-QKPAOTATSA-N 2 1 340.512 1.691 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000416912961 447706686 /nfs/dbraw/zinc/70/66/86/447706686.db2.gz DGOVVTQLRGOKHF-QKPAOTATSA-N 2 1 340.512 1.691 20 0 EDADMP CCOc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1O ZINC000459424218 447661397 /nfs/dbraw/zinc/66/13/97/447661397.db2.gz JBTIMMJDHLFSRQ-HNNXBMFYSA-N 2 1 335.448 1.468 20 0 EDADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1O ZINC000459424218 447661402 /nfs/dbraw/zinc/66/14/02/447661402.db2.gz JBTIMMJDHLFSRQ-HNNXBMFYSA-N 2 1 335.448 1.468 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000457913847 447670039 /nfs/dbraw/zinc/67/00/39/447670039.db2.gz ORKIPUDWDZKQKK-OKZBNKHCSA-N 2 1 330.476 1.505 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000416915723 447707669 /nfs/dbraw/zinc/70/76/69/447707669.db2.gz HBHNQGUNXCRGQR-KBXIAJHMSA-N 2 1 326.485 1.314 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000416915723 447707673 /nfs/dbraw/zinc/70/76/73/447707673.db2.gz HBHNQGUNXCRGQR-KBXIAJHMSA-N 2 1 326.485 1.314 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)n1 ZINC000420234994 447681607 /nfs/dbraw/zinc/68/16/07/447681607.db2.gz IBEPLQFQERATQB-VYDXJSESSA-N 2 1 333.480 1.490 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)C[NH+]1CCCCC1 ZINC000457958590 447684488 /nfs/dbraw/zinc/68/44/88/447684488.db2.gz ZKNHOGJEHFTJFJ-IAGOWNOFSA-N 2 1 340.512 1.254 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC000457987356 447690943 /nfs/dbraw/zinc/69/09/43/447690943.db2.gz PZDRUSDYVPDERK-OAHLLOKOSA-N 2 1 338.496 1.223 20 0 EDADMP CCCN(C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000416934708 447714356 /nfs/dbraw/zinc/71/43/56/447714356.db2.gz DZBPNOVAGUSUBZ-QGZVFWFLSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416933893 447714760 /nfs/dbraw/zinc/71/47/60/447714760.db2.gz CAXVDTAMMNJJJP-OAGGEKHMSA-N 2 1 326.485 1.160 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC(C)(C)CCC[NH3+])C[C@H](C)O1 ZINC000416935167 447715096 /nfs/dbraw/zinc/71/50/96/447715096.db2.gz WDMLVKOEKVOIJB-OKILXGFUSA-N 2 1 328.501 1.691 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC(C)(C)CCC[NH3+])C[C@H](C)O1 ZINC000416935167 447715101 /nfs/dbraw/zinc/71/51/01/447715101.db2.gz WDMLVKOEKVOIJB-OKILXGFUSA-N 2 1 328.501 1.691 20 0 EDADMP CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000451262276 447716987 /nfs/dbraw/zinc/71/69/87/447716987.db2.gz XEKVJBDHAIINOP-KZNAEPCWSA-N 2 1 333.476 1.498 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000416952104 447723313 /nfs/dbraw/zinc/72/33/13/447723313.db2.gz JAZPPJKKERYTES-SJLPKXTDSA-N 2 1 340.512 1.504 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[C@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000458164593 447733249 /nfs/dbraw/zinc/73/32/49/447733249.db2.gz KGBKEPRLMDHOBF-XDNAFOTISA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[C@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000458164593 447733252 /nfs/dbraw/zinc/73/32/52/447733252.db2.gz KGBKEPRLMDHOBF-XDNAFOTISA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000458164593 447733257 /nfs/dbraw/zinc/73/32/57/447733257.db2.gz KGBKEPRLMDHOBF-XDNAFOTISA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000458164593 447733261 /nfs/dbraw/zinc/73/32/61/447733261.db2.gz KGBKEPRLMDHOBF-XDNAFOTISA-N 2 1 339.524 1.968 20 0 EDADMP CC[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)NC(=O)OC(C)(C)C ZINC000496177606 447733496 /nfs/dbraw/zinc/73/34/96/447733496.db2.gz IKGYKGBDHPFVLX-KGLIPLIRSA-N 2 1 341.500 1.888 20 0 EDADMP Cc1ccc(NCCCNC(=O)NCc2ccc3c(c2)C[NH2+]C3)[nH+]c1 ZINC000417074122 447734001 /nfs/dbraw/zinc/73/40/01/447734001.db2.gz YMRMXEQNWBURSO-UHFFFAOYSA-N 2 1 339.443 2.295 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC000459696277 447743448 /nfs/dbraw/zinc/74/34/48/447743448.db2.gz HOMIPVKDXYAXAF-PKOBYXMFSA-N 2 1 333.476 1.004 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C(C)C)CC1 ZINC000429374518 447745866 /nfs/dbraw/zinc/74/58/66/447745866.db2.gz DCBDVDCDCUVXPO-PMPSAXMXSA-N 2 1 339.480 1.059 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C(C)C)CC1 ZINC000429374518 447745867 /nfs/dbraw/zinc/74/58/67/447745867.db2.gz DCBDVDCDCUVXPO-PMPSAXMXSA-N 2 1 339.480 1.059 20 0 EDADMP CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471843794 447814802 /nfs/dbraw/zinc/81/48/02/447814802.db2.gz IGNUDQWYHWAXMQ-DLBZAZTESA-N 2 1 346.475 1.504 20 0 EDADMP CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471843794 447814803 /nfs/dbraw/zinc/81/48/03/447814803.db2.gz IGNUDQWYHWAXMQ-DLBZAZTESA-N 2 1 346.475 1.504 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000430802423 447786933 /nfs/dbraw/zinc/78/69/33/447786933.db2.gz MEUGUDBVZNGQDC-CQSZACIVSA-N 2 1 334.468 1.007 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)C2)cc1 ZINC000423086100 447802453 /nfs/dbraw/zinc/80/24/53/447802453.db2.gz MJSUSWYGDMLMJO-HOJAQTOUSA-N 2 1 329.488 1.865 20 0 EDADMP c1ccc(C[N@H+]2CC[C@H](CN[C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000423086100 447802456 /nfs/dbraw/zinc/80/24/56/447802456.db2.gz MJSUSWYGDMLMJO-HOJAQTOUSA-N 2 1 329.488 1.865 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000423086100 447802458 /nfs/dbraw/zinc/80/24/58/447802458.db2.gz MJSUSWYGDMLMJO-HOJAQTOUSA-N 2 1 329.488 1.865 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000469699491 447803773 /nfs/dbraw/zinc/80/37/73/447803773.db2.gz GEUOSYFTESVHFO-NXOAAHMSSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000469699491 447803776 /nfs/dbraw/zinc/80/37/76/447803776.db2.gz GEUOSYFTESVHFO-NXOAAHMSSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000469699491 447803780 /nfs/dbraw/zinc/80/37/80/447803780.db2.gz GEUOSYFTESVHFO-NXOAAHMSSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCOCC[NH+](C)C ZINC000471659790 447808545 /nfs/dbraw/zinc/80/85/45/447808545.db2.gz SHVUEKBMZGNUEU-KRWDZBQOSA-N 2 1 348.491 1.481 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCOCC[NH+](C)C ZINC000471659790 447808548 /nfs/dbraw/zinc/80/85/48/447808548.db2.gz SHVUEKBMZGNUEU-KRWDZBQOSA-N 2 1 348.491 1.481 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000496644062 447839965 /nfs/dbraw/zinc/83/99/65/447839965.db2.gz LAETZSNNBRJZBH-HNNXBMFYSA-N 2 1 329.485 1.630 20 0 EDADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1cccc2[nH]ccc21 ZINC000569693659 447869931 /nfs/dbraw/zinc/86/99/31/447869931.db2.gz WXGQTEHKIAROBU-HOTGVXAUSA-N 2 1 347.459 1.344 20 0 EDADMP O=C(OCc1ccccc1)N1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000497166663 447914813 /nfs/dbraw/zinc/91/48/13/447914813.db2.gz VDBXIFFNPMTFBM-ROUUACIJSA-N 2 1 347.459 1.444 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000530676148 447938805 /nfs/dbraw/zinc/93/88/05/447938805.db2.gz ZNQKCRNEBAZVRV-QGZVFWFLSA-N 2 1 331.460 1.211 20 0 EDADMP C[C@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000570331187 447988433 /nfs/dbraw/zinc/98/84/33/447988433.db2.gz YQXQPJABZHHMAQ-GOEBONIOSA-N 2 1 333.480 1.136 20 0 EDADMP [NH3+]C[C@@H](NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C1CCCCC1 ZINC000576212290 448000125 /nfs/dbraw/zinc/00/01/25/448000125.db2.gz OZFKGSAPVKIDEQ-SJORKVTESA-N 2 1 331.464 1.645 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000531101299 448019193 /nfs/dbraw/zinc/01/91/93/448019193.db2.gz DAIIHVVZAWDNTG-OKZBNKHCSA-N 2 1 326.481 1.207 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000531101299 448019196 /nfs/dbraw/zinc/01/91/96/448019196.db2.gz DAIIHVVZAWDNTG-OKZBNKHCSA-N 2 1 326.481 1.207 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000531101299 448019199 /nfs/dbraw/zinc/01/91/99/448019199.db2.gz DAIIHVVZAWDNTG-OKZBNKHCSA-N 2 1 326.481 1.207 20 0 EDADMP Cn1ccnc1[C@@H](CC(=O)NCCN1CC=CCC1)C(F)(F)F ZINC000570460333 448019267 /nfs/dbraw/zinc/01/92/67/448019267.db2.gz RPQKARPENMNBSV-GFCCVEGCSA-N 2 1 330.354 1.834 20 0 EDADMP C[C@H](NC(=O)N(C)CC[NH+](C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000531106642 448020500 /nfs/dbraw/zinc/02/05/00/448020500.db2.gz LETNUFLESCPQNT-WMZOPIPTSA-N 2 1 348.491 1.479 20 0 EDADMP C[C@H](NC(=O)N(C)CC[NH+](C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000531106642 448020507 /nfs/dbraw/zinc/02/05/07/448020507.db2.gz LETNUFLESCPQNT-WMZOPIPTSA-N 2 1 348.491 1.479 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531303413 448059047 /nfs/dbraw/zinc/05/90/47/448059047.db2.gz HDJZPAKUXRLRBX-MBOZVWFJSA-N 2 1 345.487 1.612 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000497262274 448017667 /nfs/dbraw/zinc/01/76/67/448017667.db2.gz HMZUCBHIFKEPMN-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)[NH+](C)C1 ZINC000500786491 448088717 /nfs/dbraw/zinc/08/87/17/448088717.db2.gz QPBRSSRPGPIZOO-IKGGRYGDSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)[N@H+](C)C1 ZINC000500786491 448088724 /nfs/dbraw/zinc/08/87/24/448088724.db2.gz QPBRSSRPGPIZOO-IKGGRYGDSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)[N@@H+](C)C1 ZINC000500786491 448088728 /nfs/dbraw/zinc/08/87/28/448088728.db2.gz QPBRSSRPGPIZOO-IKGGRYGDSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000570784695 448063070 /nfs/dbraw/zinc/06/30/70/448063070.db2.gz LMOJEVONCIXREI-LZWOXQAQSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000570784695 448063077 /nfs/dbraw/zinc/06/30/77/448063077.db2.gz LMOJEVONCIXREI-LZWOXQAQSA-N 2 1 338.496 1.410 20 0 EDADMP CC[C@H]1CN(C[C@@H](O)C[NH+](C)CCOC)CC[N@H+]1Cc1ccccc1 ZINC000571460369 448157449 /nfs/dbraw/zinc/15/74/49/448157449.db2.gz RFZFCSXUHGDCKK-PMACEKPBSA-N 2 1 349.519 1.522 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCCC[NH+]2CCCC2)C1 ZINC000505761824 448125696 /nfs/dbraw/zinc/12/56/96/448125696.db2.gz JCBJXRPMIZBSRP-UHFFFAOYSA-N 2 1 330.476 1.998 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000532077685 448195871 /nfs/dbraw/zinc/19/58/71/448195871.db2.gz VFVOHYMAKXWCNI-HHXXYDBFSA-N 2 1 342.487 1.893 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000532077685 448195876 /nfs/dbraw/zinc/19/58/76/448195876.db2.gz VFVOHYMAKXWCNI-HHXXYDBFSA-N 2 1 342.487 1.893 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@@]3(CCCOC3)C1)C[NH+]1CCC2CC1 ZINC000497097194 448196001 /nfs/dbraw/zinc/19/60/01/448196001.db2.gz HWWUVYIZNGULKC-RTBURBONSA-N 2 1 349.475 1.753 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@]3(CCCOC3)C1)C[NH+]1CCC2CC1 ZINC000497097194 448196005 /nfs/dbraw/zinc/19/60/05/448196005.db2.gz HWWUVYIZNGULKC-RTBURBONSA-N 2 1 349.475 1.753 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000577364448 448276771 /nfs/dbraw/zinc/27/67/71/448276771.db2.gz FHGKWLDRHMMJEL-UHFFFAOYSA-N 2 1 345.491 1.827 20 0 EDADMP COc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000591092304 448258816 /nfs/dbraw/zinc/25/88/16/448258816.db2.gz YQFSFFHLFLHXPY-WMZOPIPTSA-N 2 1 331.460 1.900 20 0 EDADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591096967 448260116 /nfs/dbraw/zinc/26/01/16/448260116.db2.gz OWIUXVDHPQHEMT-KRWDZBQOSA-N 2 1 333.476 1.975 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)[C@H](C)C1 ZINC000532491352 448264930 /nfs/dbraw/zinc/26/49/30/448264930.db2.gz JKCBHIPTDOMYLN-ACWOFJMJSA-N 2 1 344.459 1.561 20 0 EDADMP C[NH2+]C[C@@](C)(O)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000572167395 448306601 /nfs/dbraw/zinc/30/66/01/448306601.db2.gz DOROHPMLMGAZEM-UXHICEINSA-N 3 1 331.504 1.945 20 0 EDADMP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000577520654 448321008 /nfs/dbraw/zinc/32/10/08/448321008.db2.gz IUIGIUZVYRDZES-BRWVUGGUSA-N 2 1 343.537 1.653 20 0 EDADMP Cc1ccccc1OC[C@H](O)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000572114069 448289556 /nfs/dbraw/zinc/28/95/56/448289556.db2.gz BGZWKVBPTWCRPY-QGZVFWFLSA-N 2 1 335.492 1.350 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000582767758 448332267 /nfs/dbraw/zinc/33/22/67/448332267.db2.gz ISLJYSUKNRUNFQ-CQSZACIVSA-N 2 1 329.404 1.216 20 0 EDADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000515634071 448336909 /nfs/dbraw/zinc/33/69/09/448336909.db2.gz LYHHTMOIPCMQGS-AWEZNQCLSA-N 2 1 325.478 1.877 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc3n[nH]cc32)CC1 ZINC000516207658 448398030 /nfs/dbraw/zinc/39/80/30/448398030.db2.gz OSDSDGPMPNVVLD-UHFFFAOYSA-N 2 1 336.399 1.962 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000572538053 448403638 /nfs/dbraw/zinc/40/36/38/448403638.db2.gz JISKLERRGCWQJJ-JYJNAYRXSA-N 2 1 342.528 1.902 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000572538053 448403643 /nfs/dbraw/zinc/40/36/43/448403643.db2.gz JISKLERRGCWQJJ-JYJNAYRXSA-N 2 1 342.528 1.902 20 0 EDADMP C[C@H]1CC2(C[N@H+]1CC(=O)NC[C@@H]1Cc3ccccc3O1)CC[NH2+]CC2 ZINC000577857460 448404649 /nfs/dbraw/zinc/40/46/49/448404649.db2.gz IUHROKHDYIZQKG-RDJZCZTQSA-N 2 1 343.471 1.570 20 0 EDADMP CC[C@H](C(=O)N1CC[NH2+]C[C@@H]1C(F)F)[N@H+](C)Cc1ccccc1 ZINC000566252220 448431771 /nfs/dbraw/zinc/43/17/71/448431771.db2.gz QGFYKUVGFHTOAQ-HUUCEWRRSA-N 2 1 325.403 1.963 20 0 EDADMP CC[C@H](C(=O)N1CC[NH2+]C[C@@H]1C(F)F)[N@@H+](C)Cc1ccccc1 ZINC000566252220 448431775 /nfs/dbraw/zinc/43/17/75/448431775.db2.gz QGFYKUVGFHTOAQ-HUUCEWRRSA-N 2 1 325.403 1.963 20 0 EDADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000566296475 448438468 /nfs/dbraw/zinc/43/84/68/448438468.db2.gz VKPUNMZXHKAVNT-SFHVURJKSA-N 2 1 342.487 1.315 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000516645256 448454277 /nfs/dbraw/zinc/45/42/77/448454277.db2.gz QOKYMYQQUWUFBP-WOJBJXKFSA-N 2 1 333.520 1.972 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC000578075295 448456114 /nfs/dbraw/zinc/45/61/14/448456114.db2.gz VLLAIRAKQHTGOO-QRQLOZEOSA-N 2 1 338.455 1.968 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC000578075295 448456115 /nfs/dbraw/zinc/45/61/15/448456115.db2.gz VLLAIRAKQHTGOO-QRQLOZEOSA-N 2 1 338.455 1.968 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)COc1ccc(Cl)cc1 ZINC000516770969 448471361 /nfs/dbraw/zinc/47/13/61/448471361.db2.gz WISBHGVQFCWBGO-HUUCEWRRSA-N 2 1 328.840 1.126 20 0 EDADMP CC[C@@H]1COCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000516660646 448459646 /nfs/dbraw/zinc/45/96/46/448459646.db2.gz DBXRQCDMRQNZGE-QGZVFWFLSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000578122265 448465909 /nfs/dbraw/zinc/46/59/09/448465909.db2.gz LTYFDZLMSOMMDG-ULQDDVLXSA-N 2 1 338.496 1.271 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000578204075 448485596 /nfs/dbraw/zinc/48/55/96/448485596.db2.gz HZPBENDWPFPWMV-IRXDYDNUSA-N 2 1 339.524 1.850 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCN(C4CCCCC4)C3=O)C2)CC1 ZINC000528374923 448504684 /nfs/dbraw/zinc/50/46/84/448504684.db2.gz ABVXWSKFCVDROK-RBUKOAKNSA-N 2 1 348.535 1.632 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCOCC(F)F)CC1 ZINC000516952918 448507563 /nfs/dbraw/zinc/50/75/63/448507563.db2.gz MIXVFFYWRBIXMI-UHFFFAOYSA-N 2 1 328.363 1.444 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000591865218 448508769 /nfs/dbraw/zinc/50/87/69/448508769.db2.gz MXRYOAMWKPZYHX-JKSUJKDBSA-N 2 1 344.459 1.274 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000591865218 448508776 /nfs/dbraw/zinc/50/87/76/448508776.db2.gz MXRYOAMWKPZYHX-JKSUJKDBSA-N 2 1 344.459 1.274 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000591865218 448508781 /nfs/dbraw/zinc/50/87/81/448508781.db2.gz MXRYOAMWKPZYHX-JKSUJKDBSA-N 2 1 344.459 1.274 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000516982547 448517500 /nfs/dbraw/zinc/51/75/00/448517500.db2.gz JRMZWOXRQAXEPH-INIZCTEOSA-N 2 1 331.526 1.320 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000528422881 448521517 /nfs/dbraw/zinc/52/15/17/448521517.db2.gz KWDQAQXWUGMYFE-UHFFFAOYSA-N 2 1 330.432 1.491 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000537609963 448565140 /nfs/dbraw/zinc/56/51/40/448565140.db2.gz PCDVOCSMPLTJNC-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000584464604 448536005 /nfs/dbraw/zinc/53/60/05/448536005.db2.gz BAKVCSXIAVXWKH-NZSAHSFTSA-N 2 1 347.503 1.683 20 0 EDADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000584464604 448536009 /nfs/dbraw/zinc/53/60/09/448536009.db2.gz BAKVCSXIAVXWKH-NZSAHSFTSA-N 2 1 347.503 1.683 20 0 EDADMP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000584728017 448612267 /nfs/dbraw/zinc/61/22/67/448612267.db2.gz XHQCVQNDGNBLNS-FUHWJXTLSA-N 2 1 330.476 1.142 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)CNC[C@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC000573594579 448668299 /nfs/dbraw/zinc/66/82/99/448668299.db2.gz BPBGYJWHWGRNHI-UKBAYJJMSA-N 2 1 341.540 1.557 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000567352233 448673743 /nfs/dbraw/zinc/67/37/43/448673743.db2.gz VXRFXADYISRXGG-KBPBESRZSA-N 2 1 346.475 1.504 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2OC)CC[N@H+]1CCOC ZINC000578991462 448687521 /nfs/dbraw/zinc/68/75/21/448687521.db2.gz CDXWMTQAVFVFRV-QAPCUYQASA-N 2 1 349.475 1.654 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2OC)CCN1CCOC ZINC000578991462 448687526 /nfs/dbraw/zinc/68/75/26/448687526.db2.gz CDXWMTQAVFVFRV-QAPCUYQASA-N 2 1 349.475 1.654 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000573699311 448694199 /nfs/dbraw/zinc/69/41/99/448694199.db2.gz ITQGTFYZEXMOID-NJAFHUGGSA-N 2 1 330.476 1.948 20 0 EDADMP CC(C)O[C@H]1C[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000545918512 448808780 /nfs/dbraw/zinc/80/87/80/448808780.db2.gz PATQHPYFXTZAGF-IRXDYDNUSA-N 2 1 347.507 1.910 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000574171631 448809467 /nfs/dbraw/zinc/80/94/67/448809467.db2.gz VVDUPRQXMOFHJI-UHFFFAOYSA-N 2 1 347.503 1.974 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000574171631 448809472 /nfs/dbraw/zinc/80/94/72/448809472.db2.gz VVDUPRQXMOFHJI-UHFFFAOYSA-N 2 1 347.503 1.974 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCC[NH2+]CC1 ZINC000574179657 448812362 /nfs/dbraw/zinc/81/23/62/448812362.db2.gz LBHLDZOIIBZKRX-UHFFFAOYSA-N 2 1 332.448 1.024 20 0 EDADMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000574191130 448812812 /nfs/dbraw/zinc/81/28/12/448812812.db2.gz LFOGALHICJWUOX-HVEKOLDVSA-N 2 1 328.460 1.312 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(Br)cc1F ZINC000574188634 448813258 /nfs/dbraw/zinc/81/32/58/448813258.db2.gz SHDDOHHHPNDCLI-SNVBAGLBSA-N 2 1 344.228 1.671 20 0 EDADMP CCn1ccnc1CNc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000567828704 448770633 /nfs/dbraw/zinc/77/06/33/448770633.db2.gz PTLODXWPLPSQDV-UHFFFAOYSA-N 2 1 341.419 2.175 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@@H]1C[NH3+] ZINC000519538460 448780434 /nfs/dbraw/zinc/78/04/34/448780434.db2.gz FDTCDGMBFVLXTA-NXHRZFHOSA-N 2 1 330.476 1.737 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000519548008 448784407 /nfs/dbraw/zinc/78/44/07/448784407.db2.gz OLMNFUVSNZJKOS-BPQIPLTHSA-N 2 1 345.487 1.641 20 0 EDADMP CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000579687418 448852336 /nfs/dbraw/zinc/85/23/36/448852336.db2.gz IZIHJGPIXZUPRA-HOTGVXAUSA-N 2 1 333.480 1.627 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2C[NH2+]CCN2C)cc1 ZINC000519828283 448854999 /nfs/dbraw/zinc/85/49/99/448854999.db2.gz VDTCSJUETLLTOY-GOSISDBHSA-N 2 1 332.492 1.552 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000574414879 448870810 /nfs/dbraw/zinc/87/08/10/448870810.db2.gz SJMFEOOBBFQHAU-FUHWJXTLSA-N 2 1 341.459 1.620 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)COc1cccc2ccccc21 ZINC000579710168 448858550 /nfs/dbraw/zinc/85/85/50/448858550.db2.gz DSOJIARFBXRZGK-QZTJIDSGSA-N 2 1 344.455 1.626 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000579712909 448860360 /nfs/dbraw/zinc/86/03/60/448860360.db2.gz LDRSRVKKAONFSA-CVEARBPZSA-N 2 1 346.475 1.100 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000579712909 448860363 /nfs/dbraw/zinc/86/03/63/448860363.db2.gz LDRSRVKKAONFSA-CVEARBPZSA-N 2 1 346.475 1.100 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000568372665 448863144 /nfs/dbraw/zinc/86/31/44/448863144.db2.gz GMPMNIOUHLEZIG-SZMVWBNQSA-N 2 1 346.475 1.409 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592559701 448901668 /nfs/dbraw/zinc/90/16/68/448901668.db2.gz BVNZUEMFRSZSOG-RRFJBIMHSA-N 2 1 331.464 1.418 20 0 EDADMP C[C@@H]1Cc2[nH+]cn(CC(=O)NC3CC[NH+](C4CC4)CC3)c2C[C@@H]1C ZINC000574604281 448912681 /nfs/dbraw/zinc/91/26/81/448912681.db2.gz WRDBWNXUHMXTFK-KGLIPLIRSA-N 2 1 330.476 1.997 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000568880154 448935602 /nfs/dbraw/zinc/93/56/02/448935602.db2.gz NOQRAOBZOOUIPI-MJGOQNOKSA-N 2 1 348.487 1.609 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000568880154 448935604 /nfs/dbraw/zinc/93/56/04/448935604.db2.gz NOQRAOBZOOUIPI-MJGOQNOKSA-N 2 1 348.487 1.609 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000588943165 448952306 /nfs/dbraw/zinc/95/23/06/448952306.db2.gz CNLDJBNKLISJEB-INIZCTEOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(ccnc2N(C)C)c1)N1CC[NH+](C)CC1 ZINC000574723901 448940905 /nfs/dbraw/zinc/94/09/05/448940905.db2.gz MRHZIBQDZAPFTB-CQSZACIVSA-N 2 1 341.459 1.875 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cccc(-n4cccn4)c3)C2)nn1 ZINC000574739610 448943709 /nfs/dbraw/zinc/94/37/09/448943709.db2.gz UPYWXOIUMWEMPJ-GOSISDBHSA-N 2 1 337.431 1.760 20 0 EDADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000521621812 449002599 /nfs/dbraw/zinc/00/25/99/449002599.db2.gz FPCMKERLFPGPTE-AWEZNQCLSA-N 2 1 342.447 1.086 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000575236238 449065952 /nfs/dbraw/zinc/06/59/52/449065952.db2.gz PIXGSQCRHYRXPM-YESZJQIVSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592964829 449088272 /nfs/dbraw/zinc/08/82/72/449088272.db2.gz NVDPUGMPFMEZBE-QLFBSQMISA-N 2 1 331.464 1.418 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC000548717035 449088592 /nfs/dbraw/zinc/08/85/92/449088592.db2.gz DTWSNFCNQCBSOJ-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548717035 449088598 /nfs/dbraw/zinc/08/85/98/449088598.db2.gz DTWSNFCNQCBSOJ-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548717035 449088601 /nfs/dbraw/zinc/08/86/01/449088601.db2.gz DTWSNFCNQCBSOJ-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)[C@@H](C)C1 ZINC000592966202 449089374 /nfs/dbraw/zinc/08/93/74/449089374.db2.gz WFHPARFDYPBGMZ-DZKIICNBSA-N 2 1 333.480 1.522 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(=O)NCc1cccs1)C2 ZINC000593737695 449171841 /nfs/dbraw/zinc/17/18/41/449171841.db2.gz VEXIKRKNDFDOKS-LRDDRELGSA-N 2 1 336.461 1.135 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(=O)NCc1cccs1)C2 ZINC000593737695 449171846 /nfs/dbraw/zinc/17/18/46/449171846.db2.gz VEXIKRKNDFDOKS-LRDDRELGSA-N 2 1 336.461 1.135 20 0 EDADMP Nc1ccc(-c2cccc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)n2)cc1 ZINC000602018962 449278194 /nfs/dbraw/zinc/27/81/94/449278194.db2.gz CRVAALYBRCGXPT-SJORKVTESA-N 2 1 337.427 1.075 20 0 EDADMP Nc1ccc(-c2cccc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)n2)cc1 ZINC000602018962 449278199 /nfs/dbraw/zinc/27/81/99/449278199.db2.gz CRVAALYBRCGXPT-SJORKVTESA-N 2 1 337.427 1.075 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000590949258 449354275 /nfs/dbraw/zinc/35/42/75/449354275.db2.gz QTGYIHJJABGABE-GOSISDBHSA-N 2 1 343.471 1.630 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)ccn1 ZINC000616998839 449423184 /nfs/dbraw/zinc/42/31/84/449423184.db2.gz XIICIKSFFXZRML-OAHLLOKOSA-N 2 1 348.491 1.872 20 0 EDADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000600636439 449467938 /nfs/dbraw/zinc/46/79/38/449467938.db2.gz YBYIKDQUVBQYIM-CQSZACIVSA-N 2 1 326.466 1.063 20 0 EDADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000600636439 449467942 /nfs/dbraw/zinc/46/79/42/449467942.db2.gz YBYIKDQUVBQYIM-CQSZACIVSA-N 2 1 326.466 1.063 20 0 EDADMP C[C@H](NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@H](C)N1CCOCC1 ZINC000594303298 449438964 /nfs/dbraw/zinc/43/89/64/449438964.db2.gz WVAXZBZAEIQXNL-YVSFHVDLSA-N 2 1 340.512 1.658 20 0 EDADMP CO[C@@H]1CCC[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000617507224 449657499 /nfs/dbraw/zinc/65/74/99/449657499.db2.gz MTHQIVHRFWEDBE-YESZJQIVSA-N 2 1 327.513 1.970 20 0 EDADMP CO[C@@H]1CCC[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617507224 449657502 /nfs/dbraw/zinc/65/75/02/449657502.db2.gz MTHQIVHRFWEDBE-YESZJQIVSA-N 2 1 327.513 1.970 20 0 EDADMP CC(=O)Nc1cccc(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000617502481 449644485 /nfs/dbraw/zinc/64/44/85/449644485.db2.gz QVUIJLUEZJWHGO-HNNXBMFYSA-N 2 1 348.491 1.576 20 0 EDADMP CC(=O)Nc1cccc(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617502481 449644490 /nfs/dbraw/zinc/64/44/90/449644490.db2.gz QVUIJLUEZJWHGO-HNNXBMFYSA-N 2 1 348.491 1.576 20 0 EDADMP COC(=O)CCN1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1=O ZINC000594722800 449648615 /nfs/dbraw/zinc/64/86/15/449648615.db2.gz IYCKUALERXNJIY-INIZCTEOSA-N 2 1 337.464 1.147 20 0 EDADMP CCOC(=O)[C@]1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCOC1 ZINC000602745498 449779467 /nfs/dbraw/zinc/77/94/67/449779467.db2.gz PBDBUEVPNCEWBO-WMZOPIPTSA-N 2 1 340.464 1.189 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC1CC[NH+](CCO)CC1 ZINC000601219122 449756346 /nfs/dbraw/zinc/75/63/46/449756346.db2.gz ZSVQLAVZOCIAEH-OAHLLOKOSA-N 2 1 326.485 1.007 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC(C)(C)N2CCN(C)CC2)C1 ZINC000601230109 449763256 /nfs/dbraw/zinc/76/32/56/449763256.db2.gz JFHXBFBJKAWVKH-MRXNPFEDSA-N 2 1 339.528 1.184 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000601230109 449763263 /nfs/dbraw/zinc/76/32/63/449763263.db2.gz JFHXBFBJKAWVKH-MRXNPFEDSA-N 2 1 339.528 1.184 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCN(C4CCC4)C3=O)C2)CC1 ZINC000602786658 449807892 /nfs/dbraw/zinc/80/78/92/449807892.db2.gz SKIZDRLTOZFUGF-ROUUACIJSA-N 2 1 334.508 1.240 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)c1 ZINC000601327366 449834695 /nfs/dbraw/zinc/83/46/95/449834695.db2.gz UGMGUPAVSWJJDH-SOUVJXGZSA-N 2 1 332.448 1.867 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)c1 ZINC000601327366 449834700 /nfs/dbraw/zinc/83/47/00/449834700.db2.gz UGMGUPAVSWJJDH-SOUVJXGZSA-N 2 1 332.448 1.867 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000615089863 449949952 /nfs/dbraw/zinc/94/99/52/449949952.db2.gz OATIMCCCOKMYJA-GJZGRUSLSA-N 2 1 325.497 1.865 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)[C@@H](c2ccccc2)C1 ZINC000612963960 449960307 /nfs/dbraw/zinc/96/03/07/449960307.db2.gz NFMSHVICXDXBHZ-SJORKVTESA-N 2 1 328.460 1.827 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)[C@@H](c2ccccc2)C1 ZINC000612963960 449960309 /nfs/dbraw/zinc/96/03/09/449960309.db2.gz NFMSHVICXDXBHZ-SJORKVTESA-N 2 1 328.460 1.827 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612978971 449968305 /nfs/dbraw/zinc/96/83/05/449968305.db2.gz CVOGBMAKJOAVLP-KBAYOESNSA-N 2 1 342.487 1.948 20 0 EDADMP [NH3+]CCSCc1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000603261656 450189512 /nfs/dbraw/zinc/18/95/12/450189512.db2.gz SVLKSUAMRLLMRV-QGZVFWFLSA-N 2 1 347.488 1.107 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@@H](OC)C3)CC2)CC1 ZINC000613810612 450324008 /nfs/dbraw/zinc/32/40/08/450324008.db2.gz HQESDAUCPRKWKC-QGZVFWFLSA-N 2 1 339.480 1.014 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000619899103 450367597 /nfs/dbraw/zinc/36/75/97/450367597.db2.gz LDBFWVFTGNUSLB-GOSISDBHSA-N 2 1 344.503 1.799 20 0 EDADMP C[C@@H](C[NH2+]Cc1cn(-c2ccc(F)cc2)nn1)CN1CC[NH+](C)CC1 ZINC000623402729 450515279 /nfs/dbraw/zinc/51/52/79/450515279.db2.gz XFLFNCFSNHIKHX-HNNXBMFYSA-N 2 1 346.454 1.380 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)CC1(C)C ZINC000623381451 450509623 /nfs/dbraw/zinc/50/96/23/450509623.db2.gz UNCIAQJZBKPEDF-KRWDZBQOSA-N 2 1 344.503 1.798 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)CC1(C)C ZINC000623381451 450509626 /nfs/dbraw/zinc/50/96/26/450509626.db2.gz UNCIAQJZBKPEDF-KRWDZBQOSA-N 2 1 344.503 1.798 20 0 EDADMP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)(N2CCOCC2)C1 ZINC000623508872 450534927 /nfs/dbraw/zinc/53/49/27/450534927.db2.gz KPAHQBGZHWSRBI-LRYGQEGESA-N 2 1 339.524 1.719 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCSC1 ZINC000625985558 450549191 /nfs/dbraw/zinc/54/91/91/450549191.db2.gz TZEGPURGAKAWOC-YQVWRLOYSA-N 2 1 347.528 1.885 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656165 450561783 /nfs/dbraw/zinc/56/17/83/450561783.db2.gz OKEQFIJSTPBJTN-INIZCTEOSA-N 2 1 335.496 1.387 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656165 450561785 /nfs/dbraw/zinc/56/17/85/450561785.db2.gz OKEQFIJSTPBJTN-INIZCTEOSA-N 2 1 335.496 1.387 20 0 EDADMP CC[N@H+](CC(=O)NC1CCOCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062422 450565889 /nfs/dbraw/zinc/56/58/89/450565889.db2.gz RSOMMFMFAXOGHJ-UHFFFAOYSA-N 2 1 333.476 1.865 20 0 EDADMP CC[N@@H+](CC(=O)NC1CCOCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062422 450565891 /nfs/dbraw/zinc/56/58/91/450565891.db2.gz RSOMMFMFAXOGHJ-UHFFFAOYSA-N 2 1 333.476 1.865 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[NH2+]1 ZINC000621151829 450599599 /nfs/dbraw/zinc/59/95/99/450599599.db2.gz JITQKOGRVGWTAT-MSOLQXFVSA-N 2 1 330.476 1.750 20 0 EDADMP COCC[N@H+](C)CCCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623854513 450615222 /nfs/dbraw/zinc/61/52/22/450615222.db2.gz AUDQZBRADMFRNW-UHFFFAOYSA-N 2 1 341.459 2.377 20 0 EDADMP COCC[N@@H+](C)CCCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623854513 450615228 /nfs/dbraw/zinc/61/52/28/450615228.db2.gz AUDQZBRADMFRNW-UHFFFAOYSA-N 2 1 341.459 2.377 20 0 EDADMP CCC1([NH+](C)C)CCN(C(=O)NCC[N@@H+](C)CCCOC)CC1 ZINC000633053947 450650240 /nfs/dbraw/zinc/65/02/40/450650240.db2.gz VRKKYGGRNBATHC-UHFFFAOYSA-N 2 1 328.501 1.471 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(N)[nH+]c(N)n1 ZINC000624007832 450668757 /nfs/dbraw/zinc/66/87/57/450668757.db2.gz FYRLTEXFPCCXCM-CQSZACIVSA-N 2 1 327.436 1.045 20 0 EDADMP C[C@@H]1CCN(C(=O)C[N@H+](C)CCOCC[NH3+])c2ccccc2S1 ZINC000629575064 450744285 /nfs/dbraw/zinc/74/42/85/450744285.db2.gz LAWGNWOSVZNPJC-CQSZACIVSA-N 2 1 337.489 1.811 20 0 EDADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)CCOCC[NH3+])c2ccccc2S1 ZINC000629575064 450744290 /nfs/dbraw/zinc/74/42/90/450744290.db2.gz LAWGNWOSVZNPJC-CQSZACIVSA-N 2 1 337.489 1.811 20 0 EDADMP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629576963 450745992 /nfs/dbraw/zinc/74/59/92/450745992.db2.gz WDVRGDGTTBAGBI-UHFFFAOYSA-N 2 1 331.819 1.345 20 0 EDADMP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629576963 450745993 /nfs/dbraw/zinc/74/59/93/450745993.db2.gz WDVRGDGTTBAGBI-UHFFFAOYSA-N 2 1 331.819 1.345 20 0 EDADMP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000629581305 450749288 /nfs/dbraw/zinc/74/92/88/450749288.db2.gz VOJDSPGHKJBZJU-SFHVURJKSA-N 3 1 347.503 1.706 20 0 EDADMP O[C@@H](C[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)C[NH+]1CCCC1 ZINC000629585204 450749854 /nfs/dbraw/zinc/74/98/54/450749854.db2.gz NHRIIOUCVBCCRA-PMACEKPBSA-N 2 1 348.487 1.929 20 0 EDADMP O[C@@H]1CC[N@@H+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000624229751 450755761 /nfs/dbraw/zinc/75/57/61/450755761.db2.gz BQNYZCYWTIXTOF-YSTOQKLRSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@@H]1CC[NH+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624229751 450755764 /nfs/dbraw/zinc/75/57/64/450755764.db2.gz BQNYZCYWTIXTOF-YSTOQKLRSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@@H]1CC[NH+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624229751 450755766 /nfs/dbraw/zinc/75/57/66/450755766.db2.gz BQNYZCYWTIXTOF-YSTOQKLRSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@@H]1CCN(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624229751 450755770 /nfs/dbraw/zinc/75/57/70/450755770.db2.gz BQNYZCYWTIXTOF-YSTOQKLRSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@@H]1CCN(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624229751 450755774 /nfs/dbraw/zinc/75/57/74/450755774.db2.gz BQNYZCYWTIXTOF-YSTOQKLRSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624229706 450755993 /nfs/dbraw/zinc/75/59/93/450755993.db2.gz AJSWOAAFZSAVKX-JSXRDJHFSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@@H]1CC[N@H+](CCN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624229706 450755998 /nfs/dbraw/zinc/75/59/98/450755998.db2.gz AJSWOAAFZSAVKX-JSXRDJHFSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@@H]1CC[N@@H+](CCN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624229706 450756004 /nfs/dbraw/zinc/75/60/04/450756004.db2.gz AJSWOAAFZSAVKX-JSXRDJHFSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@@H]1CC[NH+](CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624229706 450756008 /nfs/dbraw/zinc/75/60/08/450756008.db2.gz AJSWOAAFZSAVKX-JSXRDJHFSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@@H]1CC[NH+](CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624229706 450756014 /nfs/dbraw/zinc/75/60/14/450756014.db2.gz AJSWOAAFZSAVKX-JSXRDJHFSA-N 2 1 343.515 1.943 20 0 EDADMP C[N@H+](CCNS(=O)(=O)CCC[NH+]1CCCC1)Cc1ccccc1 ZINC000631788611 450777989 /nfs/dbraw/zinc/77/79/89/450777989.db2.gz XVDMCSBDBWXATF-UHFFFAOYSA-N 2 1 339.505 1.524 20 0 EDADMP C[N@@H+](CCNS(=O)(=O)CCC[NH+]1CCCC1)Cc1ccccc1 ZINC000631788611 450777996 /nfs/dbraw/zinc/77/79/96/450777996.db2.gz XVDMCSBDBWXATF-UHFFFAOYSA-N 2 1 339.505 1.524 20 0 EDADMP O=C(CC[C@H]1CCC[NH2+]C1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000621668398 450824489 /nfs/dbraw/zinc/82/44/89/450824489.db2.gz DOBUXUUJAXJNCH-APWZRJJASA-N 2 1 345.487 1.649 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000629917082 450887734 /nfs/dbraw/zinc/88/77/34/450887734.db2.gz KXIOHVKOKSDCQB-MOPGFXCFSA-N 2 1 345.487 1.124 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000629917082 450887736 /nfs/dbraw/zinc/88/77/36/450887736.db2.gz KXIOHVKOKSDCQB-MOPGFXCFSA-N 2 1 345.487 1.124 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000629917082 450887740 /nfs/dbraw/zinc/88/77/40/450887740.db2.gz KXIOHVKOKSDCQB-MOPGFXCFSA-N 2 1 345.487 1.124 20 0 EDADMP O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000635408914 450916118 /nfs/dbraw/zinc/91/61/18/450916118.db2.gz QMXBANJZRSLWNT-RBUKOAKNSA-N 2 1 349.519 1.964 20 0 EDADMP O=C([C@H]1C[NH+]2CCC[C@H]2CO1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000635408914 450916120 /nfs/dbraw/zinc/91/61/20/450916120.db2.gz QMXBANJZRSLWNT-RBUKOAKNSA-N 2 1 349.519 1.964 20 0 EDADMP O=C([C@H]1C[NH+]2CCC[C@H]2CO1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000635408914 450916123 /nfs/dbraw/zinc/91/61/23/450916123.db2.gz QMXBANJZRSLWNT-RBUKOAKNSA-N 2 1 349.519 1.964 20 0 EDADMP CCc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)n(C)n1 ZINC000635464091 450964594 /nfs/dbraw/zinc/96/45/94/450964594.db2.gz GBBRQZYPQSDIMG-INIZCTEOSA-N 2 1 335.496 1.471 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC000635472142 450971062 /nfs/dbraw/zinc/97/10/62/450971062.db2.gz ABKKDQNRUBPYHJ-OAHLLOKOSA-N 2 1 340.512 1.023 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000635472142 450971067 /nfs/dbraw/zinc/97/10/67/450971067.db2.gz ABKKDQNRUBPYHJ-OAHLLOKOSA-N 2 1 340.512 1.023 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635472142 450971073 /nfs/dbraw/zinc/97/10/73/450971073.db2.gz ABKKDQNRUBPYHJ-OAHLLOKOSA-N 2 1 340.512 1.023 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC000632026768 450978504 /nfs/dbraw/zinc/97/85/04/450978504.db2.gz LWFFAQYZAQJSRT-HZPDHXFCSA-N 2 1 331.526 1.464 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626931377 451014309 /nfs/dbraw/zinc/01/43/09/451014309.db2.gz DIZLEVGYUNLKBO-UHFFFAOYSA-N 2 1 348.491 1.834 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635526658 451023638 /nfs/dbraw/zinc/02/36/38/451023638.db2.gz KWSMLQRMXCRNBZ-IYBDPMFKSA-N 2 1 336.480 1.167 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000626957360 451034794 /nfs/dbraw/zinc/03/47/94/451034794.db2.gz OGILFTWPGDQEND-UHFFFAOYSA-N 2 1 334.464 1.445 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000626997730 451062960 /nfs/dbraw/zinc/06/29/60/451062960.db2.gz CAUSOTYKQOUWAA-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000626997394 451063227 /nfs/dbraw/zinc/06/32/27/451063227.db2.gz RCIXQBWNJXBQJI-AWEZNQCLSA-N 2 1 345.447 1.777 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCOCCC[NH3+] ZINC000627012433 451077562 /nfs/dbraw/zinc/07/75/62/451077562.db2.gz AVAPYTYNWFXJLF-DOTOQJQBSA-N 2 1 334.464 1.172 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635579483 451078792 /nfs/dbraw/zinc/07/87/92/451078792.db2.gz CPFRKQLSLQLUKJ-INIZCTEOSA-N 2 1 345.491 1.050 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000632160067 451080623 /nfs/dbraw/zinc/08/06/23/451080623.db2.gz SYZWSLYRWXIMIQ-QZTJIDSGSA-N 2 1 341.459 1.620 20 0 EDADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[NH+](CCCF)CC1 ZINC000627958193 451051591 /nfs/dbraw/zinc/05/15/91/451051591.db2.gz KBHBGLAMOXZMPD-UHFFFAOYSA-N 2 1 341.471 1.525 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(C)COc2ccccc2O1 ZINC000628051036 451105571 /nfs/dbraw/zinc/10/55/71/451105571.db2.gz TYWDHBOXGORSDL-KXBFYZLASA-N 2 1 349.475 1.605 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(C)COc2ccccc2O1 ZINC000628051036 451105575 /nfs/dbraw/zinc/10/55/75/451105575.db2.gz TYWDHBOXGORSDL-KXBFYZLASA-N 2 1 349.475 1.605 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000635687101 451169638 /nfs/dbraw/zinc/16/96/38/451169638.db2.gz NCWISYFABKGHLX-UHFFFAOYSA-N 2 1 347.503 1.512 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCOCCC[NH3+] ZINC000627212934 451190109 /nfs/dbraw/zinc/19/01/09/451190109.db2.gz RPEICINLMORZMV-MRXNPFEDSA-N 2 1 334.464 1.268 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCOCCC[NH3+] ZINC000627212934 451190110 /nfs/dbraw/zinc/19/01/10/451190110.db2.gz RPEICINLMORZMV-MRXNPFEDSA-N 2 1 334.464 1.268 20 0 EDADMP C[NH+](C)CCOc1cc(CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)ccn1 ZINC000635747470 451216815 /nfs/dbraw/zinc/21/68/15/451216815.db2.gz UYYGWBXMYPUTSA-QGZVFWFLSA-N 2 1 346.475 1.655 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000638082603 451245770 /nfs/dbraw/zinc/24/57/70/451245770.db2.gz FMWKIYIFMYEUMI-SFHVURJKSA-N 2 1 332.492 1.294 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000638082603 451245773 /nfs/dbraw/zinc/24/57/73/451245773.db2.gz FMWKIYIFMYEUMI-SFHVURJKSA-N 2 1 332.492 1.294 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000638082445 451246333 /nfs/dbraw/zinc/24/63/33/451246333.db2.gz AUKBJUOTSKFSAU-AWEZNQCLSA-N 2 1 332.448 1.401 20 0 EDADMP COC[C@@]1(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CCCC[NH2+]1 ZINC000638088039 451254159 /nfs/dbraw/zinc/25/41/59/451254159.db2.gz YJSJRNBZNDLKBY-OXQOHEQNSA-N 2 1 345.487 1.708 20 0 EDADMP C[C@@H](NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000638091638 451257946 /nfs/dbraw/zinc/25/79/46/451257946.db2.gz PGABUHWJUNSVPG-CRAIPNDOSA-N 2 1 332.492 1.292 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638110617 451277782 /nfs/dbraw/zinc/27/77/82/451277782.db2.gz GVNWXRAXTGBNIL-MJGOQNOKSA-N 2 1 331.460 1.345 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000636556936 451300044 /nfs/dbraw/zinc/30/00/44/451300044.db2.gz IWEBLJDNIOVSBG-ZWKOTPCHSA-N 2 1 346.475 1.189 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCOCC2)C1 ZINC000638135663 451309016 /nfs/dbraw/zinc/30/90/16/451309016.db2.gz VQGSGLGNVUSCFW-QZTJIDSGSA-N 2 1 328.497 1.861 20 0 EDADMP CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638144724 451318140 /nfs/dbraw/zinc/31/81/40/451318140.db2.gz DULQYXMZHFYYPD-QUCCMNQESA-N 2 1 345.487 1.641 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)Cc2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000638281767 451400434 /nfs/dbraw/zinc/40/04/34/451400434.db2.gz OTBCJYMJBIWPMG-IYBDPMFKSA-N 2 1 345.487 1.442 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)Cc2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000638281767 451400439 /nfs/dbraw/zinc/40/04/39/451400439.db2.gz OTBCJYMJBIWPMG-IYBDPMFKSA-N 2 1 345.487 1.442 20 0 EDADMP C[C@H](CNC(=O)Nc1cc(CN(C)C)ccn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000640575859 451420282 /nfs/dbraw/zinc/42/02/82/451420282.db2.gz LMGJXEYNDXURDB-KFWWJZLASA-N 2 1 349.479 1.762 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)C[N@H+]1Cc1ccccc1 ZINC000638307802 451421047 /nfs/dbraw/zinc/42/10/47/451421047.db2.gz CTSMIEBGNPVUHR-IMFGXOCKSA-N 2 1 345.487 1.782 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccn1 ZINC000640609781 451457296 /nfs/dbraw/zinc/45/72/96/451457296.db2.gz WSTPPYCELWYBAZ-OAHLLOKOSA-N 2 1 347.463 1.329 20 0 EDADMP O[C@@]1(C[NH2+][C@@H]2CCc3n[nH]cc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634708658 451487061 /nfs/dbraw/zinc/48/70/61/451487061.db2.gz XTRGSSFZEZWAGB-IEBWSBKVSA-N 2 1 326.444 1.494 20 0 EDADMP O[C@@]1(C[NH2+][C@@H]2CCc3n[nH]cc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708658 451487062 /nfs/dbraw/zinc/48/70/62/451487062.db2.gz XTRGSSFZEZWAGB-IEBWSBKVSA-N 2 1 326.444 1.494 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@H](O)C[C@](C)(O)C3CC3)CC2)nc(C)[nH+]1 ZINC000634708479 451487144 /nfs/dbraw/zinc/48/71/44/451487144.db2.gz VRJYCPPGFKQBDZ-MJGOQNOKSA-N 2 1 348.491 1.564 20 0 EDADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634715576 451495558 /nfs/dbraw/zinc/49/55/58/451495558.db2.gz GEULMJHYPYQSAH-UXHICEINSA-N 2 1 331.504 1.945 20 0 EDADMP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634715576 451495562 /nfs/dbraw/zinc/49/55/62/451495562.db2.gz GEULMJHYPYQSAH-UXHICEINSA-N 3 1 331.504 1.945 20 0 EDADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634715576 451495565 /nfs/dbraw/zinc/49/55/65/451495565.db2.gz GEULMJHYPYQSAH-UXHICEINSA-N 3 1 331.504 1.945 20 0 EDADMP C[NH+]1CCC[C@H](CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634715576 451495570 /nfs/dbraw/zinc/49/55/70/451495570.db2.gz GEULMJHYPYQSAH-UXHICEINSA-N 3 1 331.504 1.945 20 0 EDADMP C[NH+]1CCC[C@H](CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634715576 451495574 /nfs/dbraw/zinc/49/55/74/451495574.db2.gz GEULMJHYPYQSAH-UXHICEINSA-N 3 1 331.504 1.945 20 0 EDADMP OC[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634719926 451499634 /nfs/dbraw/zinc/49/96/34/451499634.db2.gz BPLYPXXLMIVQAZ-SFTDATJTSA-N 2 1 340.467 1.989 20 0 EDADMP OC[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634719926 451499637 /nfs/dbraw/zinc/49/96/37/451499637.db2.gz BPLYPXXLMIVQAZ-SFTDATJTSA-N 2 1 340.467 1.989 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(C)OCCc2ccccc21 ZINC000640678471 451505588 /nfs/dbraw/zinc/50/55/88/451505588.db2.gz RDNMFDUKTQYCCZ-JXFKEZNVSA-N 2 1 347.503 1.863 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(C)OCCc2ccccc21 ZINC000640678471 451505592 /nfs/dbraw/zinc/50/55/92/451505592.db2.gz RDNMFDUKTQYCCZ-JXFKEZNVSA-N 2 1 347.503 1.863 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000638435117 451513871 /nfs/dbraw/zinc/51/38/71/451513871.db2.gz BHKLMCLXQLJYPH-PKOBYXMFSA-N 2 1 345.487 1.803 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636793902 451514604 /nfs/dbraw/zinc/51/46/04/451514604.db2.gz DLHCMKFUONMTLD-UHFFFAOYSA-N 2 1 340.512 1.167 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634767699 451535877 /nfs/dbraw/zinc/53/58/77/451535877.db2.gz GZWJOLLVQQSOKK-QUCCMNQESA-N 2 1 342.487 1.063 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636837728 451545389 /nfs/dbraw/zinc/54/53/89/451545389.db2.gz UEIGCSQNRJTHKE-INIZCTEOSA-N 2 1 334.468 1.756 20 0 EDADMP CCN(CC[NH3+])C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638515236 451553589 /nfs/dbraw/zinc/55/35/89/451553589.db2.gz BWIUHNAUWKDZQH-MJGOQNOKSA-N 2 1 331.460 1.332 20 0 EDADMP C[NH2+]CCOCCNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000638578013 451585967 /nfs/dbraw/zinc/58/59/67/451585967.db2.gz HWHYTGOLCBVDRX-HZPDHXFCSA-N 2 1 349.475 1.262 20 0 EDADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCNC(=O)CC2)c2cccs2)CC1 ZINC000634949543 451619499 /nfs/dbraw/zinc/61/94/99/451619499.db2.gz UEUKQCSTTLGPLB-LSDHHAIUSA-N 2 1 336.505 1.295 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCNC(=O)CC3)c2)CCO1 ZINC000634955324 451622949 /nfs/dbraw/zinc/62/29/49/451622949.db2.gz FAIVUJXDNOSGSL-QAPCUYQASA-N 2 1 331.460 1.666 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCNC(=O)CC3)c2)CCO1 ZINC000634955324 451622953 /nfs/dbraw/zinc/62/29/53/451622953.db2.gz FAIVUJXDNOSGSL-QAPCUYQASA-N 2 1 331.460 1.666 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632903856 451642137 /nfs/dbraw/zinc/64/21/37/451642137.db2.gz DFZDKTFXPPKDAK-HDICACEKSA-N 2 1 344.459 1.529 20 0 EDADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](C(=O)[O-])C1CC1 ZINC000635015272 451650313 /nfs/dbraw/zinc/65/03/13/451650313.db2.gz DBLSDIOHJNDNGC-GOSISDBHSA-N 2 1 337.508 1.978 20 0 EDADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](C(=O)[O-])C1CC1 ZINC000635015272 451650314 /nfs/dbraw/zinc/65/03/14/451650314.db2.gz DBLSDIOHJNDNGC-GOSISDBHSA-N 2 1 337.508 1.978 20 0 EDADMP CC(C)C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)C(=O)NCC[NH+](C)C ZINC000638819241 451700550 /nfs/dbraw/zinc/70/05/50/451700550.db2.gz YEDIPRYNYDXQKH-JKSUJKDBSA-N 2 1 335.496 1.553 20 0 EDADMP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCO1 ZINC000638851486 451710781 /nfs/dbraw/zinc/71/07/81/451710781.db2.gz MCTKLGXXBHVMRT-QZTJIDSGSA-N 2 1 331.460 1.536 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000637151134 451741692 /nfs/dbraw/zinc/74/16/92/451741692.db2.gz XPJDZCIHTUPMPA-SZMVWBNQSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC000637151134 451741695 /nfs/dbraw/zinc/74/16/95/451741695.db2.gz XPJDZCIHTUPMPA-SZMVWBNQSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)C1CC[NH2+]CC1 ZINC000638986899 451747000 /nfs/dbraw/zinc/74/70/00/451747000.db2.gz GXSIMYRKAZHGGU-CQSZACIVSA-N 2 1 331.464 1.456 20 0 EDADMP C[C@H]1CN(C(=O)NCC[NH2+]C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000637347211 451796645 /nfs/dbraw/zinc/79/66/45/451796645.db2.gz CHOJFIOMWOOVHO-MRXNPFEDSA-N 2 1 330.476 1.902 20 0 EDADMP CO[C@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@H]1CCOC1 ZINC000639310948 451820097 /nfs/dbraw/zinc/82/00/97/451820097.db2.gz ZNSIOOIUZREJRT-IPMKNSEASA-N 2 1 334.460 1.394 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCO[C@H]3C)CC2)CC1 ZINC000639482830 451893672 /nfs/dbraw/zinc/89/36/72/451893672.db2.gz NZKGOQOTJBQPFS-WMZOPIPTSA-N 2 1 337.508 1.678 20 0 EDADMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000646915142 451933187 /nfs/dbraw/zinc/93/31/87/451933187.db2.gz KIWGJYCJIHPWDQ-SZMVWBNQSA-N 2 1 331.435 1.953 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000646915142 451933194 /nfs/dbraw/zinc/93/31/94/451933194.db2.gz KIWGJYCJIHPWDQ-SZMVWBNQSA-N 2 1 331.435 1.953 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000646915142 451933197 /nfs/dbraw/zinc/93/31/97/451933197.db2.gz KIWGJYCJIHPWDQ-SZMVWBNQSA-N 2 1 331.435 1.953 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000646915142 451933203 /nfs/dbraw/zinc/93/32/03/451933203.db2.gz KIWGJYCJIHPWDQ-SZMVWBNQSA-N 2 1 331.435 1.953 20 0 EDADMP CC[N@@H+]1CCc2nc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)sc2C1 ZINC000649276847 451947840 /nfs/dbraw/zinc/94/78/40/451947840.db2.gz MGZZNBXCENNMRH-SECBINFHSA-N 2 1 330.404 1.704 20 0 EDADMP CC[N@H+]1CCc2nc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)sc2C1 ZINC000649276847 451947846 /nfs/dbraw/zinc/94/78/46/451947846.db2.gz MGZZNBXCENNMRH-SECBINFHSA-N 2 1 330.404 1.704 20 0 EDADMP C[N@@H+](CCCNC(=O)CN1CCCC[C@@H]([NH3+])C1=O)C1CCCCC1 ZINC000649293707 451969326 /nfs/dbraw/zinc/96/93/26/451969326.db2.gz FQMOPQSUDOCDGG-MRXNPFEDSA-N 2 1 338.496 1.097 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000649295474 451971458 /nfs/dbraw/zinc/97/14/58/451971458.db2.gz OBXZVULXOSHPIP-XHSDSOJGSA-N 2 1 348.495 1.300 20 0 EDADMP CCN(C(=O)C(=O)NC[C@H](C)[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000642907503 451984755 /nfs/dbraw/zinc/98/47/55/451984755.db2.gz ABJXBKMICDXSQP-YQQAZPJKSA-N 2 1 346.475 1.134 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCC[NH2+]1 ZINC000649310533 451988600 /nfs/dbraw/zinc/98/86/00/451988600.db2.gz QVUBRIIDEPVHMV-ICSRJNTNSA-N 2 1 345.487 1.436 20 0 EDADMP O[C@@H]1CC[C@@H]2C[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC000639676989 452017494 /nfs/dbraw/zinc/01/74/94/452017494.db2.gz FEMZPWQTAWCHMA-IYWMVGAKSA-N 2 1 330.472 1.716 20 0 EDADMP O[C@@H]1CC[C@@H]2C[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC000639676989 452017498 /nfs/dbraw/zinc/01/74/98/452017498.db2.gz FEMZPWQTAWCHMA-IYWMVGAKSA-N 2 1 330.472 1.716 20 0 EDADMP O[C@@H]1CC[C@@H]2C[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC000639676989 452017502 /nfs/dbraw/zinc/01/75/02/452017502.db2.gz FEMZPWQTAWCHMA-IYWMVGAKSA-N 2 1 330.472 1.716 20 0 EDADMP O[C@@H]1CC[C@@H]2C[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC000639676989 452017504 /nfs/dbraw/zinc/01/75/04/452017504.db2.gz FEMZPWQTAWCHMA-IYWMVGAKSA-N 2 1 330.472 1.716 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC000649339791 452018671 /nfs/dbraw/zinc/01/86/71/452018671.db2.gz CDPAFCCXQVXUBZ-SJORKVTESA-N 2 1 344.463 1.133 20 0 EDADMP Cn1ccnc1[C@H]1CC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000653591462 452029319 /nfs/dbraw/zinc/02/93/19/452029319.db2.gz HYFFYDHXJFYQTA-JKSUJKDBSA-N 2 1 340.427 1.329 20 0 EDADMP Cn1ccnc1[C@H]1CC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000653591462 452029327 /nfs/dbraw/zinc/02/93/27/452029327.db2.gz HYFFYDHXJFYQTA-JKSUJKDBSA-N 2 1 340.427 1.329 20 0 EDADMP COc1ccccc1NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000643080939 452033910 /nfs/dbraw/zinc/03/39/10/452033910.db2.gz NJZOSIKRLACSSG-BEFAXECRSA-N 2 1 347.459 1.852 20 0 EDADMP CC[C@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[C@H]1[NH3+] ZINC000649358727 452039860 /nfs/dbraw/zinc/03/98/60/452039860.db2.gz ANJUEASMZLNMFI-PKOBYXMFSA-N 2 1 344.503 1.633 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N[C@@H](CC[NH3+])C(F)F)CC2)[nH+]c1 ZINC000647071327 452042894 /nfs/dbraw/zinc/04/28/94/452042894.db2.gz FLKWNVYHJZOGIP-ZDUSSCGKSA-N 2 1 326.391 1.705 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cn1 ZINC000643182848 452060256 /nfs/dbraw/zinc/06/02/56/452060256.db2.gz NPORFYHPHITUOR-UHFFFAOYSA-N 2 1 332.408 1.281 20 0 EDADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000649420404 452082088 /nfs/dbraw/zinc/08/20/88/452082088.db2.gz HNBJHLURRDTRMM-PBHICJAKSA-N 2 1 343.431 1.850 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760138 452097953 /nfs/dbraw/zinc/09/79/53/452097953.db2.gz REYLRZDZDBHTLV-UHFFFAOYSA-N 2 1 345.487 1.772 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000639766409 452109056 /nfs/dbraw/zinc/10/90/56/452109056.db2.gz OCRSFKGHJBLWLW-IBGZPJMESA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000639766409 452109059 /nfs/dbraw/zinc/10/90/59/452109059.db2.gz OCRSFKGHJBLWLW-IBGZPJMESA-N 2 1 331.460 1.354 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000643294143 452120540 /nfs/dbraw/zinc/12/05/40/452120540.db2.gz GPMMSJDWWLJXMN-ZACQAIPSSA-N 2 1 340.512 1.347 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@H]2C1 ZINC000647216725 452130221 /nfs/dbraw/zinc/13/02/21/452130221.db2.gz CDNYHRDYIAVFFO-ZWKOTPCHSA-N 2 1 337.508 1.963 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@H]2C1 ZINC000647216725 452130225 /nfs/dbraw/zinc/13/02/25/452130225.db2.gz CDNYHRDYIAVFFO-ZWKOTPCHSA-N 2 1 337.508 1.963 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@H]2C1 ZINC000647216725 452130229 /nfs/dbraw/zinc/13/02/29/452130229.db2.gz CDNYHRDYIAVFFO-ZWKOTPCHSA-N 2 1 337.508 1.963 20 0 EDADMP C[N@H+]1CCC[C@@H]1CN1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000649610692 452166245 /nfs/dbraw/zinc/16/62/45/452166245.db2.gz YOCBHLADYUAKPX-NHCUHLMSSA-N 2 1 342.531 1.973 20 0 EDADMP C[NH+]1CCC[C@@H]1CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000649610692 452166248 /nfs/dbraw/zinc/16/62/48/452166248.db2.gz YOCBHLADYUAKPX-NHCUHLMSSA-N 2 1 342.531 1.973 20 0 EDADMP C[NH+]1CCC[C@@H]1CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000649610692 452166253 /nfs/dbraw/zinc/16/62/53/452166253.db2.gz YOCBHLADYUAKPX-NHCUHLMSSA-N 2 1 342.531 1.973 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(S(=O)(=O)NC4CC4)cc3)C2)C1 ZINC000649617801 452170068 /nfs/dbraw/zinc/17/00/68/452170068.db2.gz XQEOKZCSTJOIIO-SFHVURJKSA-N 2 1 349.500 1.655 20 0 EDADMP C[C@@H](O)C[N@@H+](Cc1cncc(C[NH+](C[C@H](C)O)C2CC2)c1)C1CC1 ZINC000653903794 452170688 /nfs/dbraw/zinc/17/06/88/452170688.db2.gz KYLSBATWEAUWNN-GASCZTMLSA-N 2 1 333.476 1.772 20 0 EDADMP C[C@@H](O)C[NH+](Cc1cncc(C[N@H+](C[C@H](C)O)C2CC2)c1)C1CC1 ZINC000653903794 452170693 /nfs/dbraw/zinc/17/06/93/452170693.db2.gz KYLSBATWEAUWNN-GASCZTMLSA-N 2 1 333.476 1.772 20 0 EDADMP C[C@@H](O)C[NH+](Cc1cncc(C[N@@H+](C[C@H](C)O)C2CC2)c1)C1CC1 ZINC000653903794 452170696 /nfs/dbraw/zinc/17/06/96/452170696.db2.gz KYLSBATWEAUWNN-GASCZTMLSA-N 2 1 333.476 1.772 20 0 EDADMP c1nc(NC2CC2)cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)n1 ZINC000641717628 452216389 /nfs/dbraw/zinc/21/63/89/452216389.db2.gz DOVDIYRQPZIBLF-MRXNPFEDSA-N 2 1 346.479 1.259 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)CC2C[NH+](C)C2)C[C@@H](C)O1 ZINC000663543066 452247390 /nfs/dbraw/zinc/24/73/90/452247390.db2.gz IMSWILFOWVPQDJ-ZIAGYGMSSA-N 2 1 326.485 1.077 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655459266 452252878 /nfs/dbraw/zinc/25/28/78/452252878.db2.gz BVAHOSQEUGNXHH-TXPKVOOTSA-N 2 1 329.444 1.558 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641805799 452283916 /nfs/dbraw/zinc/28/39/16/452283916.db2.gz OPBLFPYWWPODDM-KNXALSJPSA-N 2 1 335.448 1.596 20 0 EDADMP C[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487269 452285565 /nfs/dbraw/zinc/28/55/65/452285565.db2.gz CDWHYUOVUHUEIK-LFRCEIEQSA-N 2 1 333.476 1.936 20 0 EDADMP C[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487269 452285574 /nfs/dbraw/zinc/28/55/74/452285574.db2.gz CDWHYUOVUHUEIK-LFRCEIEQSA-N 2 1 333.476 1.936 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659438005 452287293 /nfs/dbraw/zinc/28/72/93/452287293.db2.gz LQKYUAXWNVHTEK-QZTJIDSGSA-N 2 1 348.491 1.400 20 0 EDADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000641809892 452291730 /nfs/dbraw/zinc/29/17/30/452291730.db2.gz YSTPMTWFBGVBMV-MAZHCROVSA-N 2 1 344.459 1.856 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCCC2)[C@@H](C)C1 ZINC000659456666 452307894 /nfs/dbraw/zinc/30/78/94/452307894.db2.gz QCFJYSXSKSUTNC-JKSUJKDBSA-N 2 1 340.512 1.694 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000645354260 452333115 /nfs/dbraw/zinc/33/31/15/452333115.db2.gz QUVGYUOYMRMDKB-GJZGRUSLSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@]1(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C[NH2+]CCO1 ZINC000638053845 452333233 /nfs/dbraw/zinc/33/32/33/452333233.db2.gz BWMSGTJBYQUARV-GOSISDBHSA-N 2 1 335.423 1.239 20 0 EDADMP C[C@]1(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C[NH2+]CCO1 ZINC000638053845 452333238 /nfs/dbraw/zinc/33/32/38/452333238.db2.gz BWMSGTJBYQUARV-GOSISDBHSA-N 2 1 335.423 1.239 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)CC1CCOCC1 ZINC000665760821 452333338 /nfs/dbraw/zinc/33/33/38/452333338.db2.gz PNRJTGHRDJKTCB-HNNXBMFYSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)CC1CCOCC1 ZINC000665760821 452333346 /nfs/dbraw/zinc/33/33/46/452333346.db2.gz PNRJTGHRDJKTCB-HNNXBMFYSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@H](Cc1ccccn1)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665763495 452344506 /nfs/dbraw/zinc/34/45/06/452344506.db2.gz CGWJTNWRZHWOPR-CVEARBPZSA-N 2 1 335.496 1.584 20 0 EDADMP C[C@H](Cc1ccccn1)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665763495 452344520 /nfs/dbraw/zinc/34/45/20/452344520.db2.gz CGWJTNWRZHWOPR-CVEARBPZSA-N 2 1 335.496 1.584 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638058306 452347322 /nfs/dbraw/zinc/34/73/22/452347322.db2.gz ARFMEALPNPRUIT-DAYGRLMNSA-N 2 1 349.475 1.181 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638060570 452351143 /nfs/dbraw/zinc/35/11/43/452351143.db2.gz XJAJTKKNRZAKFS-ZWKOTPCHSA-N 2 1 332.492 1.388 20 0 EDADMP CC[C@@]1(O)CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000640035740 452372577 /nfs/dbraw/zinc/37/25/77/452372577.db2.gz NAWNOYKUGIFBRC-IEBWSBKVSA-N 2 1 333.476 1.642 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000659512065 452376386 /nfs/dbraw/zinc/37/63/86/452376386.db2.gz LROQASDBCZNZHT-SFHVURJKSA-N 2 1 348.491 1.441 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638069953 452377448 /nfs/dbraw/zinc/37/74/48/452377448.db2.gz NVZWNFFAWGXQCU-FUHWJXTLSA-N 2 1 332.492 1.436 20 0 EDADMP O=C(NCC1C[NH2+]C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659526814 452390715 /nfs/dbraw/zinc/39/07/15/452390715.db2.gz GJLMVWWOCPUGGA-SFHVURJKSA-N 2 1 342.487 1.807 20 0 EDADMP CN(CC(=O)N1CC[NH+](C)CC1)Cc1ccc(-c2ccccn2)nc1 ZINC000640051172 452394518 /nfs/dbraw/zinc/39/45/18/452394518.db2.gz KGWYSTYWQITJPH-UHFFFAOYSA-N 2 1 339.443 1.349 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652212665 452406714 /nfs/dbraw/zinc/40/67/14/452406714.db2.gz KMBIQDWEHWWMQK-UYAOXDASSA-N 2 1 344.503 1.944 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652212665 452406722 /nfs/dbraw/zinc/40/67/22/452406722.db2.gz KMBIQDWEHWWMQK-UYAOXDASSA-N 2 1 344.503 1.944 20 0 EDADMP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659550921 452408414 /nfs/dbraw/zinc/40/84/14/452408414.db2.gz SIPDLJKQOYXEJY-WMZOPIPTSA-N 2 1 347.507 1.229 20 0 EDADMP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659550921 452408419 /nfs/dbraw/zinc/40/84/19/452408419.db2.gz SIPDLJKQOYXEJY-WMZOPIPTSA-N 2 1 347.507 1.229 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000659601223 452458151 /nfs/dbraw/zinc/45/81/51/452458151.db2.gz SMACCPMDARFGEY-FUHWJXTLSA-N 2 1 349.523 1.083 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659608257 452464055 /nfs/dbraw/zinc/46/40/55/452464055.db2.gz BQQZCIVFPXUEOS-KLHDSHLOSA-N 2 1 336.480 1.009 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000659611638 452469517 /nfs/dbraw/zinc/46/95/17/452469517.db2.gz SRAVFHPUSSZXRK-YVSFHVDLSA-N 2 1 338.496 1.399 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000663762527 452490565 /nfs/dbraw/zinc/49/05/65/452490565.db2.gz DAPRPBAEICGDKB-ROUUACIJSA-N 2 1 332.492 1.943 20 0 EDADMP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652338206 452508088 /nfs/dbraw/zinc/50/80/88/452508088.db2.gz JPDXKEOCCJGDQP-OCCSQVGLSA-N 2 1 339.402 1.080 20 0 EDADMP C[C@@H]1CN(C(C)(C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000655695423 452517047 /nfs/dbraw/zinc/51/70/47/452517047.db2.gz MEIUJWYDLGYBPE-JFIYKMOQSA-N 2 1 339.524 1.717 20 0 EDADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346181 452518912 /nfs/dbraw/zinc/51/89/12/452518912.db2.gz VSXUYWMGAKZRJS-WNRNVDISSA-N 2 1 337.508 1.852 20 0 EDADMP Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652348475 452522952 /nfs/dbraw/zinc/52/29/52/452522952.db2.gz FKLFFIFYWPSTKN-GBESFXJTSA-N 2 1 345.487 1.830 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)NCc2ccc(F)cc2)C1 ZINC000652360162 452541119 /nfs/dbraw/zinc/54/11/19/452541119.db2.gz BVFPHSIHUINOHU-KZNAEPCWSA-N 2 1 349.450 1.803 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)NCc2ccccc2F)C1 ZINC000652361267 452541267 /nfs/dbraw/zinc/54/12/67/452541267.db2.gz BKOLWOMGYCSZEO-BPQIPLTHSA-N 2 1 349.450 1.803 20 0 EDADMP Cc1cc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)no1 ZINC000652361642 452541922 /nfs/dbraw/zinc/54/19/22/452541922.db2.gz LMJPEWSSGDDWDW-RBSFLKMASA-N 2 1 336.436 1.094 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659682238 452557443 /nfs/dbraw/zinc/55/74/43/452557443.db2.gz HXGHMNPZLGLJDD-ZBFHGGJFSA-N 2 1 346.475 1.134 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(c3[nH+]ccc4[nH]ccc43)CC2)C1 ZINC000647867139 452604652 /nfs/dbraw/zinc/60/46/52/452604652.db2.gz AEWRCLXSKHZVQY-MRXNPFEDSA-N 2 1 343.475 1.794 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654566357 452649686 /nfs/dbraw/zinc/64/96/86/452649686.db2.gz AKCOCQMDWPEIAV-XUWVNRHRSA-N 2 1 328.501 1.512 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654566357 452649697 /nfs/dbraw/zinc/64/96/97/452649697.db2.gz AKCOCQMDWPEIAV-XUWVNRHRSA-N 2 1 328.501 1.512 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654566357 452649707 /nfs/dbraw/zinc/64/97/07/452649707.db2.gz AKCOCQMDWPEIAV-XUWVNRHRSA-N 2 1 328.501 1.512 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654566357 452649717 /nfs/dbraw/zinc/64/97/17/452649717.db2.gz AKCOCQMDWPEIAV-XUWVNRHRSA-N 2 1 328.501 1.512 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(OCC[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000647926729 452662919 /nfs/dbraw/zinc/66/29/19/452662919.db2.gz KPSDNXWQCDYUKM-UHFFFAOYSA-N 2 1 341.477 1.129 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655912252 452669362 /nfs/dbraw/zinc/66/93/62/452669362.db2.gz MCOYGCZTLFOPBC-CQSZACIVSA-N 2 1 344.381 1.712 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@H](C[NH3+])C(F)(F)F)Cc1ccc(F)cc1 ZINC000655919176 452680769 /nfs/dbraw/zinc/68/07/69/452680769.db2.gz GCKRVSYNLWFRMT-GFCCVEGCSA-N 2 1 336.333 1.446 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C[C@H]1Cc1ccccc1 ZINC000655927851 452696471 /nfs/dbraw/zinc/69/64/71/452696471.db2.gz IWBVKJVXBLQREI-ZIAGYGMSSA-N 2 1 344.381 1.444 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C[C@H]1Cc1ccccc1 ZINC000655927851 452696478 /nfs/dbraw/zinc/69/64/78/452696478.db2.gz IWBVKJVXBLQREI-ZIAGYGMSSA-N 2 1 344.381 1.444 20 0 EDADMP O=C([C@H]1CCC[N@@H+](CCc2noc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000655937003 452706889 /nfs/dbraw/zinc/70/68/89/452706889.db2.gz SCKGJYPLUZAHAE-HNNXBMFYSA-N 2 1 342.443 1.514 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cn1 ZINC000655940534 452709812 /nfs/dbraw/zinc/70/98/12/452709812.db2.gz UCMWYWZZEWECOP-DLBZAZTESA-N 2 1 329.448 1.110 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cn1 ZINC000655940534 452709820 /nfs/dbraw/zinc/70/98/20/452709820.db2.gz UCMWYWZZEWECOP-DLBZAZTESA-N 2 1 329.448 1.110 20 0 EDADMP Cc1ncccc1C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000655940756 452710105 /nfs/dbraw/zinc/71/01/05/452710105.db2.gz WXKGNIYVMVNKKW-IRXDYDNUSA-N 2 1 329.448 1.110 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978143 452722549 /nfs/dbraw/zinc/72/25/49/452722549.db2.gz NFHBKPBQHCPQMW-ZRNYENFQSA-N 3 1 331.504 1.629 20 0 EDADMP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978143 452722554 /nfs/dbraw/zinc/72/25/54/452722554.db2.gz NFHBKPBQHCPQMW-ZRNYENFQSA-N 2 1 331.504 1.629 20 0 EDADMP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978143 452722557 /nfs/dbraw/zinc/72/25/57/452722557.db2.gz NFHBKPBQHCPQMW-ZRNYENFQSA-N 2 1 331.504 1.629 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000647977432 452722697 /nfs/dbraw/zinc/72/26/97/452722697.db2.gz BFMHMLGXDUDEHV-XWSJACJDSA-N 2 1 349.519 1.868 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971033 452752243 /nfs/dbraw/zinc/75/22/43/452752243.db2.gz QFBWYFDMNLORDP-XLMAVXFVSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971033 452752253 /nfs/dbraw/zinc/75/22/53/452752253.db2.gz QFBWYFDMNLORDP-XLMAVXFVSA-N 2 1 338.496 1.269 20 0 EDADMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000652616817 452775280 /nfs/dbraw/zinc/77/52/80/452775280.db2.gz BYJCEYUILSZRMI-CQSZACIVSA-N 2 1 344.419 1.236 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664095380 452785064 /nfs/dbraw/zinc/78/50/64/452785064.db2.gz JHQXOIBCTWAZKO-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C1CCCCC1 ZINC000652694650 452842059 /nfs/dbraw/zinc/84/20/59/452842059.db2.gz DBALXSTWCNBGHE-INIZCTEOSA-N 2 1 338.496 1.001 20 0 EDADMP Cn1nnc2cc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)ccc21 ZINC000650705958 452942808 /nfs/dbraw/zinc/94/28/08/452942808.db2.gz BBWZSMYEOKURLQ-MPGHIAIKSA-N 2 1 329.448 1.687 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722370 452952653 /nfs/dbraw/zinc/95/26/53/452952653.db2.gz QXZDJBAVGRRQDH-KZNAEPCWSA-N 2 1 331.460 1.907 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3[NH2+]CC3(C)C)CC2)oc1C ZINC000645970960 452958568 /nfs/dbraw/zinc/95/85/68/452958568.db2.gz QGDYVAOYHGZBMR-MRXNPFEDSA-N 2 1 334.464 1.618 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000645977738 452966285 /nfs/dbraw/zinc/96/62/85/452966285.db2.gz KDZPULNYZFYTKA-QFBILLFUSA-N 2 1 342.487 1.158 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000645977738 452966297 /nfs/dbraw/zinc/96/62/97/452966297.db2.gz KDZPULNYZFYTKA-QFBILLFUSA-N 2 1 342.487 1.158 20 0 EDADMP COc1ccc(F)cc1CN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662259479 452987563 /nfs/dbraw/zinc/98/75/63/452987563.db2.gz YAEPWVKQZNPCPT-KRWDZBQOSA-N 2 1 349.450 1.473 20 0 EDADMP CC(C)c1nnc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000664315121 452990157 /nfs/dbraw/zinc/99/01/57/452990157.db2.gz RLBYWRFCZLPGDZ-LBPRGKRZSA-N 2 1 327.498 1.663 20 0 EDADMP CC(C)c1nnc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000664315121 452990164 /nfs/dbraw/zinc/99/01/64/452990164.db2.gz RLBYWRFCZLPGDZ-LBPRGKRZSA-N 2 1 327.498 1.663 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000650780927 452992609 /nfs/dbraw/zinc/99/26/09/452992609.db2.gz JEWHLPGKTNTQMO-FUHWJXTLSA-N 2 1 332.492 1.895 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000650780927 452992613 /nfs/dbraw/zinc/99/26/13/452992613.db2.gz JEWHLPGKTNTQMO-FUHWJXTLSA-N 2 1 332.492 1.895 20 0 EDADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(C[C@H]4C[NH2+]CCO4)CC[C@@H]32)cc1 ZINC000662278789 453004844 /nfs/dbraw/zinc/00/48/44/453004844.db2.gz ARLSQPCDLVVSGG-AQNXPRMDSA-N 2 1 329.488 1.961 20 0 EDADMP C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC(C)(C)[NH3+] ZINC000662292775 453017099 /nfs/dbraw/zinc/01/70/99/453017099.db2.gz LTVBIWGHRITKIP-UHFFFAOYSA-N 2 1 326.828 1.437 20 0 EDADMP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000662310116 453028486 /nfs/dbraw/zinc/02/84/86/453028486.db2.gz HFNFSHNJSKNLMQ-QGZVFWFLSA-N 2 1 349.450 1.800 20 0 EDADMP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000662310116 453028497 /nfs/dbraw/zinc/02/84/97/453028497.db2.gz HFNFSHNJSKNLMQ-QGZVFWFLSA-N 2 1 349.450 1.800 20 0 EDADMP Cc1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662318555 453033619 /nfs/dbraw/zinc/03/36/19/453033619.db2.gz BLNMKFVVFVTCKF-MJGOQNOKSA-N 2 1 336.476 1.777 20 0 EDADMP Cc1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662318555 453033628 /nfs/dbraw/zinc/03/36/28/453033628.db2.gz BLNMKFVVFVTCKF-MJGOQNOKSA-N 2 1 336.476 1.777 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000664369090 453040083 /nfs/dbraw/zinc/04/00/83/453040083.db2.gz YKUFUJPBORABBO-JYJNAYRXSA-N 2 1 339.528 1.183 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000664369090 453040092 /nfs/dbraw/zinc/04/00/92/453040092.db2.gz YKUFUJPBORABBO-JYJNAYRXSA-N 3 1 339.528 1.183 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000664369090 453040098 /nfs/dbraw/zinc/04/00/98/453040098.db2.gz YKUFUJPBORABBO-JYJNAYRXSA-N 3 1 339.528 1.183 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000664369090 453040108 /nfs/dbraw/zinc/04/01/08/453040108.db2.gz YKUFUJPBORABBO-JYJNAYRXSA-N 3 1 339.528 1.183 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000664369090 453040116 /nfs/dbraw/zinc/04/01/16/453040116.db2.gz YKUFUJPBORABBO-JYJNAYRXSA-N 3 1 339.528 1.183 20 0 EDADMP Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)[nH]1 ZINC000662335914 453053097 /nfs/dbraw/zinc/05/30/97/453053097.db2.gz BAMGJDBRDHUEBU-GXTWGEPZSA-N 2 1 344.467 1.186 20 0 EDADMP Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)[nH]1 ZINC000662335914 453053105 /nfs/dbraw/zinc/05/31/05/453053105.db2.gz BAMGJDBRDHUEBU-GXTWGEPZSA-N 2 1 344.467 1.186 20 0 EDADMP CCc1nocc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337223 453053208 /nfs/dbraw/zinc/05/32/08/453053208.db2.gz KHIOMGHXLZMIKZ-AWEZNQCLSA-N 2 1 344.463 1.749 20 0 EDADMP FC(F)COCC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338601 453054918 /nfs/dbraw/zinc/05/49/18/453054918.db2.gz UBOYMUROFXFZLO-CYBMUJFWSA-N 2 1 343.422 1.280 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000662367523 453078464 /nfs/dbraw/zinc/07/84/64/453078464.db2.gz AYFIQQYVSIWCRS-RVKKMQEKSA-N 2 1 331.460 1.837 20 0 EDADMP C[NH2+]CC1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662413959 453124079 /nfs/dbraw/zinc/12/40/79/453124079.db2.gz MIFSVQBEEWVBJZ-CQSZACIVSA-N 2 1 340.265 1.907 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000666761209 453125957 /nfs/dbraw/zinc/12/59/57/453125957.db2.gz NNQMSLIOGXZJPD-INIZCTEOSA-N 2 1 326.485 1.080 20 0 EDADMP C[NH2+][C@H](C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)c1cccc(Cl)c1Cl ZINC000662432457 453140922 /nfs/dbraw/zinc/14/09/22/453140922.db2.gz RKOKOTBATUAIHN-WFBYXXMGSA-N 2 1 346.258 1.829 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000662437505 453144479 /nfs/dbraw/zinc/14/44/79/453144479.db2.gz RQPSMEOGEYQCGS-HOTGVXAUSA-N 2 1 340.512 1.056 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cc4c(s3)CC[NH2+]C4)CC2)C1 ZINC000662462730 453172504 /nfs/dbraw/zinc/17/25/04/453172504.db2.gz PHIMBAZCZCODKY-HNNXBMFYSA-N 2 1 348.516 1.246 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@](C)(CO)C(C)C)CC2)CC1 ZINC000655091083 453213346 /nfs/dbraw/zinc/21/33/46/453213346.db2.gz NGDJNSFNXGUSPE-LJQANCHMSA-N 2 1 339.524 1.706 20 0 EDADMP Clc1cccc(CC[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000656499561 453227717 /nfs/dbraw/zinc/22/77/17/453227717.db2.gz SFVLXXVPMWMDDZ-SFHVURJKSA-N 2 1 337.895 1.879 20 0 EDADMP O[C@@H]1CC[N@@H+](C2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)C1 ZINC000664598073 453231964 /nfs/dbraw/zinc/23/19/64/453231964.db2.gz FGMCLARCXWOBRT-MRXNPFEDSA-N 2 1 331.464 1.502 20 0 EDADMP O[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)C1 ZINC000664598073 453231973 /nfs/dbraw/zinc/23/19/73/453231973.db2.gz FGMCLARCXWOBRT-MRXNPFEDSA-N 2 1 331.464 1.502 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]4COC[C@@H]43)CC2)CC1 ZINC000655144821 453259007 /nfs/dbraw/zinc/25/90/07/453259007.db2.gz BOVPNNAWSOVUED-MJGOQNOKSA-N 2 1 349.519 1.820 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCC[NH2+]C2CC2)c1 ZINC000666939591 453262707 /nfs/dbraw/zinc/26/27/07/453262707.db2.gz RPKDKRVFULQJGT-MRXNPFEDSA-N 2 1 345.447 1.010 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCC[NH2+]C2CC2)c1 ZINC000666939591 453262718 /nfs/dbraw/zinc/26/27/18/453262718.db2.gz RPKDKRVFULQJGT-MRXNPFEDSA-N 2 1 345.447 1.010 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1cncc(F)c1 ZINC000664629639 453264001 /nfs/dbraw/zinc/26/40/01/453264001.db2.gz XLTYEOZBNMTKSG-KBPBESRZSA-N 2 1 339.459 1.853 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1cncc(F)c1 ZINC000664629639 453264011 /nfs/dbraw/zinc/26/40/11/453264011.db2.gz XLTYEOZBNMTKSG-KBPBESRZSA-N 2 1 339.459 1.853 20 0 EDADMP CN(CC1C[NH+](C)C1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000660405722 453279412 /nfs/dbraw/zinc/27/94/12/453279412.db2.gz IKSJJJYDSCHWEW-UHFFFAOYSA-N 2 1 345.491 1.012 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)CC[NH+](C)C)cc2)C1 ZINC000653108950 453294050 /nfs/dbraw/zinc/29/40/50/453294050.db2.gz NHMJZYIPFZHGBS-APWZRJJASA-N 2 1 346.519 1.814 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653112801 453299364 /nfs/dbraw/zinc/29/93/64/453299364.db2.gz KDCZGVPDQJFWHY-HBFSDRIKSA-N 2 1 343.471 1.251 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)C3(O)CCCC3)cn2)CC1 ZINC000648842580 453323890 /nfs/dbraw/zinc/32/38/90/453323890.db2.gz IMWCZKMLSNYRIC-UHFFFAOYSA-N 2 1 347.507 1.649 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000651195233 453346074 /nfs/dbraw/zinc/34/60/74/453346074.db2.gz GBIFLGNJCLTVSA-HOTGVXAUSA-N 2 1 328.501 1.061 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000651195233 453346081 /nfs/dbraw/zinc/34/60/81/453346081.db2.gz GBIFLGNJCLTVSA-HOTGVXAUSA-N 2 1 328.501 1.061 20 0 EDADMP COC[C@]1(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CC[NH2+]C1 ZINC000662660122 453373097 /nfs/dbraw/zinc/37/30/97/453373097.db2.gz BTGDIIQBQZRGHZ-ICSRJNTNSA-N 2 1 345.487 1.388 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662660066 453373980 /nfs/dbraw/zinc/37/39/80/453373980.db2.gz BIPWVVGSVDAXTC-MSOLQXFVSA-N 2 1 332.492 1.041 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)C1 ZINC000658780657 453388407 /nfs/dbraw/zinc/38/84/07/453388407.db2.gz XHNJKZNMTVCATQ-OAHLLOKOSA-N 2 1 341.415 1.411 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc2c1CNC2=O ZINC000667088685 453398719 /nfs/dbraw/zinc/39/87/19/453398719.db2.gz XQPJVNLKZAULQY-ZDUSSCGKSA-N 2 1 347.463 1.324 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc2c1CNC2=O ZINC000667088685 453398726 /nfs/dbraw/zinc/39/87/26/453398726.db2.gz XQPJVNLKZAULQY-ZDUSSCGKSA-N 2 1 347.463 1.324 20 0 EDADMP C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[N@H+]1CCC[C@@H](C)C1 ZINC000662680740 453400080 /nfs/dbraw/zinc/40/00/80/453400080.db2.gz XDQMMQVWYPSAFU-PMPSAXMXSA-N 2 1 348.495 1.443 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662680845 453400816 /nfs/dbraw/zinc/40/08/16/453400816.db2.gz MDPVDIMLASDZDS-CABCVRRESA-N 2 1 334.468 1.197 20 0 EDADMP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662684191 453404693 /nfs/dbraw/zinc/40/46/93/453404693.db2.gz BPGIOFMKTGAWPB-XJKSGUPXSA-N 2 1 341.415 1.400 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664888608 453466280 /nfs/dbraw/zinc/46/62/80/453466280.db2.gz HJBZSPMYYWAXDM-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CCCN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CC[N@H+](C)C1 ZINC000648999973 453466594 /nfs/dbraw/zinc/46/65/94/453466594.db2.gz LSQUSHAUVKOJOS-KRWDZBQOSA-N 2 1 345.491 1.390 20 0 EDADMP CCCN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000648999973 453466605 /nfs/dbraw/zinc/46/66/05/453466605.db2.gz LSQUSHAUVKOJOS-KRWDZBQOSA-N 2 1 345.491 1.390 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C3CC[NH2+]CC3)no2)[C@H](C)C1 ZINC000662743867 453470444 /nfs/dbraw/zinc/47/04/44/453470444.db2.gz ABUNHHNXPFKDDO-CJNGLKHVSA-N 2 1 334.464 1.944 20 0 EDADMP C[C@H](NC(=O)[C@H]1[NH2+]CCC1(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662744413 453472121 /nfs/dbraw/zinc/47/21/21/453472121.db2.gz GEROGYKYBFTFME-CGTJXYLNSA-N 2 1 345.487 1.780 20 0 EDADMP C[C@H](NC(=O)[C@H]1[NH2+]CCC1(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662744413 453472129 /nfs/dbraw/zinc/47/21/29/453472129.db2.gz GEROGYKYBFTFME-CGTJXYLNSA-N 2 1 345.487 1.780 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664916000 453479522 /nfs/dbraw/zinc/47/95/22/453479522.db2.gz GGCSORQFPVMBPR-IRXDYDNUSA-N 2 1 342.528 1.859 20 0 EDADMP COCC1(CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000662778497 453514719 /nfs/dbraw/zinc/51/47/19/453514719.db2.gz ZXWWVIGWMFZOCZ-CQSZACIVSA-N 2 1 327.375 1.097 20 0 EDADMP CC(C)([NH3+])c1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)on1 ZINC000662805322 453540064 /nfs/dbraw/zinc/54/00/64/453540064.db2.gz KOSPHVWKDZCQSO-OCCSQVGLSA-N 2 1 332.448 1.957 20 0 EDADMP CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662858062 453574204 /nfs/dbraw/zinc/57/42/04/453574204.db2.gz DRMABYCWTSDLJT-IRXDYDNUSA-N 2 1 331.460 1.258 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000662859739 453575727 /nfs/dbraw/zinc/57/57/27/453575727.db2.gz NYWVXWWCMSGGST-QZTJIDSGSA-N 2 1 343.471 1.259 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659032639 453590660 /nfs/dbraw/zinc/59/06/60/453590660.db2.gz RPCTVKXJMQRSJG-INIZCTEOSA-N 2 1 329.404 1.674 20 0 EDADMP COC1([C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCC1 ZINC000665148885 453591063 /nfs/dbraw/zinc/59/10/63/453591063.db2.gz GALIEVAGAADRKO-LSDHHAIUSA-N 2 1 328.501 1.515 20 0 EDADMP COC1([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCC1 ZINC000665148885 453591067 /nfs/dbraw/zinc/59/10/67/453591067.db2.gz GALIEVAGAADRKO-LSDHHAIUSA-N 2 1 328.501 1.515 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](OC)[C@@H]3CCOC3)CC2)CC1 ZINC000660834571 453597093 /nfs/dbraw/zinc/59/70/93/453597093.db2.gz ORXDTRSANAVKRF-IEBWSBKVSA-N 2 1 339.524 1.530 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)C[NH+]1CCOCC1 ZINC000660850349 453608013 /nfs/dbraw/zinc/60/80/13/453608013.db2.gz UOZSSHLSXWIYHW-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)C[NH+]1CCOCC1 ZINC000660850349 453608017 /nfs/dbraw/zinc/60/80/17/453608017.db2.gz UOZSSHLSXWIYHW-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)C1 ZINC000659283922 453700130 /nfs/dbraw/zinc/70/01/30/453700130.db2.gz AXFFTMMKLJLSHY-AWEZNQCLSA-N 2 1 342.447 1.721 20 0 EDADMP C[C@@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659329553 453718255 /nfs/dbraw/zinc/71/82/55/453718255.db2.gz JMTIMVDDUXQVKZ-AFIMGQEJSA-N 2 1 331.460 1.835 20 0 EDADMP C[C@@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659329553 453718257 /nfs/dbraw/zinc/71/82/57/453718257.db2.gz JMTIMVDDUXQVKZ-AFIMGQEJSA-N 2 1 331.460 1.835 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657346003 453771201 /nfs/dbraw/zinc/77/12/01/453771201.db2.gz COOVCAWMBKOOTP-SFHVURJKSA-N 2 1 347.459 1.108 20 0 EDADMP Cc1cc(N2CCC([NH2+]Cc3cnn4c3CCC4)CC2)nc(C)[nH+]1 ZINC000657390062 453780463 /nfs/dbraw/zinc/78/04/63/453780463.db2.gz SIPGDTMWKADBLP-UHFFFAOYSA-N 2 1 326.448 1.995 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)C1CC1 ZINC000663372276 453781819 /nfs/dbraw/zinc/78/18/19/453781819.db2.gz IDYZRCXTUWNJQB-IPMKNSEASA-N 2 1 345.487 1.772 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)C1CC1 ZINC000663372276 453781822 /nfs/dbraw/zinc/78/18/22/453781822.db2.gz IDYZRCXTUWNJQB-IPMKNSEASA-N 2 1 345.487 1.772 20 0 EDADMP CCN(C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H]1CC[N@@H+](C)C1 ZINC000663479230 453805073 /nfs/dbraw/zinc/80/50/73/453805073.db2.gz DPDQHPPQEDDMJU-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP CCN(C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CC[NH+](C)C1 ZINC000663479230 453805076 /nfs/dbraw/zinc/80/50/76/453805076.db2.gz DPDQHPPQEDDMJU-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP CCN(C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CC[NH+](C)C1 ZINC000663479230 453805078 /nfs/dbraw/zinc/80/50/78/453805078.db2.gz DPDQHPPQEDDMJU-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCO1 ZINC000163219532 486666241 /nfs/dbraw/zinc/66/62/41/486666241.db2.gz HOKIZQSHDHSERE-RYQLBKOJSA-N 2 1 331.460 1.616 20 0 EDADMP O=C(NCC[NH+]1CCCC1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000680176658 486715603 /nfs/dbraw/zinc/71/56/03/486715603.db2.gz LBMFNLAKJFEZPF-SFHVURJKSA-N 2 1 331.460 1.396 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](CCO)C(C)(C)C1)[N@H+]1CCCC[C@H]1C ZINC000672723851 486778319 /nfs/dbraw/zinc/77/83/19/486778319.db2.gz NHGXCDYQCOJJTN-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000672961435 486856333 /nfs/dbraw/zinc/85/63/33/486856333.db2.gz JTCXSQZQTWPFGN-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000672961435 486856337 /nfs/dbraw/zinc/85/63/37/486856337.db2.gz JTCXSQZQTWPFGN-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000672961430 486856548 /nfs/dbraw/zinc/85/65/48/486856548.db2.gz JTCXSQZQTWPFGN-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000672961430 486856551 /nfs/dbraw/zinc/85/65/51/486856551.db2.gz JTCXSQZQTWPFGN-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP O=C(NCC[NH+]1CCC1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000677010223 486954358 /nfs/dbraw/zinc/95/43/58/486954358.db2.gz XXGRUDIPCUROPP-SFHVURJKSA-N 2 1 330.476 1.904 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CCCCC1 ZINC000684163734 486963230 /nfs/dbraw/zinc/96/32/30/486963230.db2.gz NNIXKWSVTKKFQJ-ROUUACIJSA-N 2 1 337.508 1.699 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000667951426 487029904 /nfs/dbraw/zinc/02/99/04/487029904.db2.gz SRASLNNRDOJSIV-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000684430124 487057472 /nfs/dbraw/zinc/05/74/72/487057472.db2.gz UEZWUHILYLUVSG-LJQANCHMSA-N 2 1 331.460 1.859 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000077701010 487059288 /nfs/dbraw/zinc/05/92/88/487059288.db2.gz OVMJJRKWZWKHNV-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP CC[C@H](C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)[NH+](CC)CC ZINC000673650343 487076614 /nfs/dbraw/zinc/07/66/14/487076614.db2.gz NZOYWCMORHPYFC-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP Cc1cncc(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000677653339 487141994 /nfs/dbraw/zinc/14/19/94/487141994.db2.gz LCSKZQUOYZDRIL-MRXNPFEDSA-N 2 1 331.464 1.358 20 0 EDADMP Cc1cncc(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000677653339 487142000 /nfs/dbraw/zinc/14/20/00/487142000.db2.gz LCSKZQUOYZDRIL-MRXNPFEDSA-N 2 1 331.464 1.358 20 0 EDADMP CN1CC[N@@H+](C)C[C@@H]1CN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000677805541 487172121 /nfs/dbraw/zinc/17/21/21/487172121.db2.gz OGELSJVHRLAFAV-MOPGFXCFSA-N 2 1 330.520 1.875 20 0 EDADMP CN1CC[NH+](C)C[C@@H]1CN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805541 487172126 /nfs/dbraw/zinc/17/21/26/487172126.db2.gz OGELSJVHRLAFAV-MOPGFXCFSA-N 2 1 330.520 1.875 20 0 EDADMP CN1CC[NH+](C)C[C@@H]1CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805541 487172128 /nfs/dbraw/zinc/17/21/28/487172128.db2.gz OGELSJVHRLAFAV-MOPGFXCFSA-N 2 1 330.520 1.875 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCN[C@@H]1CCCc2cccnc21 ZINC000684954584 487200382 /nfs/dbraw/zinc/20/03/82/487200382.db2.gz AKVRLHGEXYQNDH-IAGOWNOFSA-N 2 1 330.476 1.991 20 0 EDADMP C[NH+](C)C[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)c2ccccc2O1 ZINC000678048349 487234105 /nfs/dbraw/zinc/23/41/05/487234105.db2.gz ODVUASXQJPWRKL-CABCVRRESA-N 2 1 349.500 1.780 20 0 EDADMP C[NH+](C)C[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)c2ccccc2O1 ZINC000678048349 487234108 /nfs/dbraw/zinc/23/41/08/487234108.db2.gz ODVUASXQJPWRKL-CABCVRRESA-N 2 1 349.500 1.780 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000674321962 487236149 /nfs/dbraw/zinc/23/61/49/487236149.db2.gz DYOPJJBQCWAFHC-UHFFFAOYSA-N 2 1 343.475 1.793 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000674321962 487236153 /nfs/dbraw/zinc/23/61/53/487236153.db2.gz DYOPJJBQCWAFHC-UHFFFAOYSA-N 2 1 343.475 1.793 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000685470747 487280387 /nfs/dbraw/zinc/28/03/87/487280387.db2.gz PFARUJVGDQYSGR-NVXWUHKLSA-N 2 1 337.489 1.974 20 0 EDADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000685470747 487280389 /nfs/dbraw/zinc/28/03/89/487280389.db2.gz PFARUJVGDQYSGR-NVXWUHKLSA-N 2 1 337.489 1.974 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000685470747 487280390 /nfs/dbraw/zinc/28/03/90/487280390.db2.gz PFARUJVGDQYSGR-NVXWUHKLSA-N 2 1 337.489 1.974 20 0 EDADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000685470747 487280392 /nfs/dbraw/zinc/28/03/92/487280392.db2.gz PFARUJVGDQYSGR-NVXWUHKLSA-N 2 1 337.489 1.974 20 0 EDADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000685470747 487280393 /nfs/dbraw/zinc/28/03/93/487280393.db2.gz PFARUJVGDQYSGR-NVXWUHKLSA-N 2 1 337.489 1.974 20 0 EDADMP O=C(CCc1cnc[nH]1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000527013235 487304201 /nfs/dbraw/zinc/30/42/01/487304201.db2.gz GCBDDYMGMRLBOQ-UHFFFAOYSA-N 2 1 328.416 1.938 20 0 EDADMP Cc1ccc(CNC(=O)NCCC[NH2+]C2CC2)c(N2CCCC2)[nH+]1 ZINC000669555620 485556338 /nfs/dbraw/zinc/55/63/38/485556338.db2.gz SLNPMNJBYZXOOS-UHFFFAOYSA-N 2 1 331.464 1.932 20 0 EDADMP O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CC[NH2+]CC1 ZINC000669556738 485560011 /nfs/dbraw/zinc/56/00/11/485560011.db2.gz CXWMQSXRMNEZLN-GUDVDZBRSA-N 2 1 342.487 1.902 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000324820993 485623129 /nfs/dbraw/zinc/62/31/29/485623129.db2.gz WFNUUZGQNHRBQB-UHFFFAOYSA-N 2 1 334.464 1.207 20 0 EDADMP Cc1cc(CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC000669588581 485643568 /nfs/dbraw/zinc/64/35/68/485643568.db2.gz FAWFILRPROMCJG-HOCLYGCPSA-N 2 1 347.463 1.248 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000669306370 485951235 /nfs/dbraw/zinc/95/12/35/485951235.db2.gz QGNXBUYDARHOQU-ZBFHGGJFSA-N 2 1 326.485 1.399 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669312713 485959926 /nfs/dbraw/zinc/95/99/26/485959926.db2.gz CQCLEZCSLGCHSV-IEBWSBKVSA-N 2 1 342.487 1.828 20 0 EDADMP CN(C(=O)c1c(C2CC2)cnn1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668619124 485960489 /nfs/dbraw/zinc/96/04/89/485960489.db2.gz ZNSNRYXIFLCFER-INIZCTEOSA-N 2 1 345.491 1.538 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[C@@H]1[NH3+] ZINC000669405504 486076655 /nfs/dbraw/zinc/07/66/55/486076655.db2.gz GQXNAHNYZDCNOF-HIFRSBDPSA-N 2 1 336.505 1.875 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[N@H+]2CCc3sccc3C2)CC[C@@H]1[NH3+] ZINC000669405504 486076660 /nfs/dbraw/zinc/07/66/60/486076660.db2.gz GQXNAHNYZDCNOF-HIFRSBDPSA-N 2 1 336.505 1.875 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC[C@H]1[NH3+] ZINC000668727767 486095199 /nfs/dbraw/zinc/09/51/99/486095199.db2.gz UKGVSQAAPNSRDI-BZUAXINKSA-N 2 1 326.485 1.112 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC[C@H]1CCCC[NH2+]1 ZINC000669459256 486213209 /nfs/dbraw/zinc/21/32/09/486213209.db2.gz ZZLWYBPJCJEATM-RBUKOAKNSA-N 2 1 344.503 1.992 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000669472299 486225642 /nfs/dbraw/zinc/22/56/42/486225642.db2.gz SBKNMQNJIVUQTG-YOEHRIQHSA-N 2 1 333.480 1.859 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000669484315 486249861 /nfs/dbraw/zinc/24/98/61/486249861.db2.gz QHTGBKNXRLOLKJ-HNNXBMFYSA-N 2 1 337.512 1.116 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000669484315 486249865 /nfs/dbraw/zinc/24/98/65/486249865.db2.gz QHTGBKNXRLOLKJ-HNNXBMFYSA-N 2 1 337.512 1.116 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)CC1 ZINC000669927764 486514430 /nfs/dbraw/zinc/51/44/30/486514430.db2.gz OEPRAVLBFRYKFZ-QZTJIDSGSA-N 2 1 342.487 1.219 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(=O)n3cc(Cl)ccc3n1)C2 ZINC000391776228 486523590 /nfs/dbraw/zinc/52/35/90/486523590.db2.gz UMTKOMJLXPHVPQ-SJCJKPOMSA-N 2 1 332.835 1.909 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(=O)n3cc(Cl)ccc3n1)C2 ZINC000391776228 486523595 /nfs/dbraw/zinc/52/35/95/486523595.db2.gz UMTKOMJLXPHVPQ-SJCJKPOMSA-N 2 1 332.835 1.909 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN(C)Cc1cccc(Br)c1 ZINC000380665657 486643105 /nfs/dbraw/zinc/64/31/05/486643105.db2.gz UXUIOSBOXNVLRH-OAHLLOKOSA-N 2 1 345.281 1.820 20 0 EDADMP COCCN(C)C[C@@H](O)C[N@H+](C)Cc1cccc(Br)c1 ZINC000380665657 486643108 /nfs/dbraw/zinc/64/31/08/486643108.db2.gz UXUIOSBOXNVLRH-OAHLLOKOSA-N 2 1 345.281 1.820 20 0 EDADMP COC1CC[NH+](CCNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000080000223 491170102 /nfs/dbraw/zinc/17/01/02/491170102.db2.gz OLOBUAFEGZGUPQ-MRXNPFEDSA-N 2 1 345.487 1.660 20 0 EDADMP COC1CC[NH+](CCNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000080000223 491170103 /nfs/dbraw/zinc/17/01/03/491170103.db2.gz OLOBUAFEGZGUPQ-MRXNPFEDSA-N 2 1 345.487 1.660 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC[NH+]1CCCOCC1 ZINC000187357908 533741453 /nfs/dbraw/zinc/74/14/53/533741453.db2.gz KIHFUUWZUKXKFW-KRWDZBQOSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187357908 533741457 /nfs/dbraw/zinc/74/14/57/533741457.db2.gz KIHFUUWZUKXKFW-KRWDZBQOSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000187357908 533741462 /nfs/dbraw/zinc/74/14/62/533741462.db2.gz KIHFUUWZUKXKFW-KRWDZBQOSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)CC[N@@H+]1C ZINC000181502669 533948005 /nfs/dbraw/zinc/94/80/05/533948005.db2.gz WNHKINRDWYHKFT-CHWSQXEVSA-N 2 1 331.507 1.441 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)CC[N@H+]1C ZINC000181502669 533948010 /nfs/dbraw/zinc/94/80/10/533948010.db2.gz WNHKINRDWYHKFT-CHWSQXEVSA-N 2 1 331.507 1.441 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000183903976 528536525 /nfs/dbraw/zinc/53/65/25/528536525.db2.gz KNBCBMBBCWWRRH-OAHLLOKOSA-N 2 1 338.452 1.030 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000339318845 536544964 /nfs/dbraw/zinc/54/49/64/536544964.db2.gz RKVNXZJSKCHQBQ-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCSC[C@H](C)C2)C1 ZINC000249060599 535110490 /nfs/dbraw/zinc/11/04/90/535110490.db2.gz PEPCUPATXCNTOU-CVEARBPZSA-N 2 1 343.537 1.144 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCSC[C@H](C)C2)C1 ZINC000249060599 535110496 /nfs/dbraw/zinc/11/04/96/535110496.db2.gz PEPCUPATXCNTOU-CVEARBPZSA-N 2 1 343.537 1.144 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCSC[C@H](C)C2)C1 ZINC000249060599 535110500 /nfs/dbraw/zinc/11/05/00/535110500.db2.gz PEPCUPATXCNTOU-CVEARBPZSA-N 2 1 343.537 1.144 20 0 EDADMP CCCN(C(=O)[C@H]([NH3+])COC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262372405 535234507 /nfs/dbraw/zinc/23/45/07/535234507.db2.gz LYEWYXGYMABNFX-ZWKOTPCHSA-N 2 1 333.476 1.863 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC[NH+]1CCOC ZINC000345760632 535430872 /nfs/dbraw/zinc/43/08/72/535430872.db2.gz UYLUGATXJWZBEX-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC[NH+]1CCOC ZINC000345760632 535430876 /nfs/dbraw/zinc/43/08/76/535430876.db2.gz UYLUGATXJWZBEX-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246925094 535485408 /nfs/dbraw/zinc/48/54/08/535485408.db2.gz DJXZEQWIPMEROB-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246925094 535485412 /nfs/dbraw/zinc/48/54/12/535485412.db2.gz DJXZEQWIPMEROB-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246925094 535485420 /nfs/dbraw/zinc/48/54/20/535485420.db2.gz DJXZEQWIPMEROB-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246925094 535485421 /nfs/dbraw/zinc/48/54/21/535485421.db2.gz DJXZEQWIPMEROB-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+](CC)CC(=O)N1CCN(Cc2cc(OC)cc(C)[nH+]2)CC1 ZINC000270339128 535490484 /nfs/dbraw/zinc/49/04/84/535490484.db2.gz UFTAHWFDCIMZIB-UHFFFAOYSA-N 2 1 334.464 1.385 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000262547149 535611070 /nfs/dbraw/zinc/61/10/70/535611070.db2.gz OEPQZKXCFBPKJP-GOSISDBHSA-N 2 1 343.475 1.839 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000346191261 535678012 /nfs/dbraw/zinc/67/80/12/535678012.db2.gz MTHHMWWNWPSIEV-OKZBNKHCSA-N 2 1 336.524 1.203 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000346191261 535678013 /nfs/dbraw/zinc/67/80/13/535678013.db2.gz MTHHMWWNWPSIEV-OKZBNKHCSA-N 2 1 336.524 1.203 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000346191261 535678017 /nfs/dbraw/zinc/67/80/17/535678017.db2.gz MTHHMWWNWPSIEV-OKZBNKHCSA-N 2 1 336.524 1.203 20 0 EDADMP CCOC(=O)COc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262174766 535691568 /nfs/dbraw/zinc/69/15/68/535691568.db2.gz VUXUOAMSWMERLA-KRWDZBQOSA-N 2 1 347.459 1.108 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)nc1 ZINC000346338575 535691537 /nfs/dbraw/zinc/69/15/37/535691537.db2.gz VDFIJUKTFAXXNX-WBVHZDCISA-N 2 1 344.459 1.663 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)nc1 ZINC000346338575 535691546 /nfs/dbraw/zinc/69/15/46/535691546.db2.gz VDFIJUKTFAXXNX-WBVHZDCISA-N 2 1 344.459 1.663 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237025383 535831354 /nfs/dbraw/zinc/83/13/54/535831354.db2.gz BVQCFAFIYAESMK-SQNIBIBYSA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237025383 535831358 /nfs/dbraw/zinc/83/13/58/535831358.db2.gz BVQCFAFIYAESMK-SQNIBIBYSA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@H](NC(=O)[C@H](C)[C@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000249073681 535844077 /nfs/dbraw/zinc/84/40/77/535844077.db2.gz QTDRHFROQKFNEO-MXSMSXNCSA-N 2 1 333.476 1.766 20 0 EDADMP CC[C@H](NC(=O)[C@H](C)[C@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000249073681 535844082 /nfs/dbraw/zinc/84/40/82/535844082.db2.gz QTDRHFROQKFNEO-MXSMSXNCSA-N 2 1 333.476 1.766 20 0 EDADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000261685239 536023025 /nfs/dbraw/zinc/02/30/25/536023025.db2.gz HVUOJOWDMYHXST-INIZCTEOSA-N 2 1 327.432 1.268 20 0 EDADMP C[NH2+][C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cnn(C)c1 ZINC000262397389 536381300 /nfs/dbraw/zinc/38/13/00/536381300.db2.gz PARKVTZMMMTSAA-KRWDZBQOSA-N 2 1 333.480 1.594 20 0 EDADMP CN(C[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)S(C)(=O)=O ZINC000352566420 536424083 /nfs/dbraw/zinc/42/40/83/536424083.db2.gz ZIQDNZSWHPNLPN-INIZCTEOSA-N 2 1 331.526 1.466 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)S(C)(=O)=O ZINC000352566420 536424086 /nfs/dbraw/zinc/42/40/86/536424086.db2.gz ZIQDNZSWHPNLPN-INIZCTEOSA-N 2 1 331.526 1.466 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261853422 536433050 /nfs/dbraw/zinc/43/30/50/536433050.db2.gz RSYIPRYTTMXQGV-KSZLIROESA-N 2 1 331.460 1.473 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107835350 536784132 /nfs/dbraw/zinc/78/41/32/536784132.db2.gz QEHXAZRNPNENQN-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000743768071 579490354 /nfs/dbraw/zinc/49/03/54/579490354.db2.gz SXHLSWULLVFDDA-MOPGFXCFSA-N 2 1 345.487 1.500 20 0 EDADMP CN(C(=O)/C=C\c1cccnc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732559922 578717862 /nfs/dbraw/zinc/71/78/62/578717862.db2.gz SSHKSBIVVACMAL-OOFWQKGWSA-N 2 1 328.460 1.722 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734275681 578804345 /nfs/dbraw/zinc/80/43/45/578804345.db2.gz AZJCVMGQTTWGEF-WBVHZDCISA-N 2 1 340.512 1.659 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000735870605 578934524 /nfs/dbraw/zinc/93/45/24/578934524.db2.gz MVTHMWSWKYVLIQ-ZWKOTPCHSA-N 2 1 336.476 1.846 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000735870605 578934526 /nfs/dbraw/zinc/93/45/26/578934526.db2.gz MVTHMWSWKYVLIQ-ZWKOTPCHSA-N 2 1 336.476 1.846 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000735870605 578934527 /nfs/dbraw/zinc/93/45/27/578934527.db2.gz MVTHMWSWKYVLIQ-ZWKOTPCHSA-N 2 1 336.476 1.846 20 0 EDADMP CSCC[C@H](C)NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000736659601 579010512 /nfs/dbraw/zinc/01/05/12/579010512.db2.gz RNSOZQZHSFZPTD-KBPBESRZSA-N 2 1 328.526 1.596 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000745824510 579564446 /nfs/dbraw/zinc/56/44/46/579564446.db2.gz JNEOCOFLXZZTGE-OIISXLGYSA-N 2 1 338.496 1.412 20 0 EDADMP O=C1[C@H]2CCCCC[C@@H]2N1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000749938367 579744446 /nfs/dbraw/zinc/74/44/46/579744446.db2.gz JYIURPIBHWMUFC-ROUUACIJSA-N 2 1 335.492 1.779 20 0 EDADMP CC(C)[C@@]1(C)NC(=O)N(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000755782105 579934933 /nfs/dbraw/zinc/93/49/33/579934933.db2.gz YBVPKUXELJQXKD-MAUKXSAKSA-N 2 1 336.480 1.574 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCSC1 ZINC000764271102 580116884 /nfs/dbraw/zinc/11/68/84/580116884.db2.gz JAJRNEWPXNQYNN-HOTGVXAUSA-N 2 1 341.521 1.183 20 0 EDADMP c1cnc(N2CCC([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cn1 ZINC000765974528 580155538 /nfs/dbraw/zinc/15/55/38/580155538.db2.gz IKACQMULEFACKM-SFHVURJKSA-N 2 1 345.491 1.678 20 0 EDADMP C[NH+]1CCC2(CCCN2C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000768938815 580224574 /nfs/dbraw/zinc/22/45/74/580224574.db2.gz UEPCZCHKSZGLAQ-JKSUJKDBSA-N 2 1 336.480 1.119 20 0 EDADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000770717746 580269210 /nfs/dbraw/zinc/26/92/10/580269210.db2.gz YJYSFCFVSLQUAC-JKSUJKDBSA-N 2 1 345.491 1.995 20 0 EDADMP C[NH+]1CCC(NC(=S)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000772816437 580321193 /nfs/dbraw/zinc/32/11/93/580321193.db2.gz GOWQIBCEVVPPFI-YOEHRIQHSA-N 2 1 336.549 1.904 20 0 EDADMP C[C@@]1(CNC(=O)CC[NH+]2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000779238473 580481874 /nfs/dbraw/zinc/48/18/74/580481874.db2.gz ICQIKYZWSHWMLK-FQEVSTJZSA-N 2 1 345.487 1.880 20 0 EDADMP C[C@@]1(CNC(=O)CC[NH+]2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000779238473 580481875 /nfs/dbraw/zinc/48/18/75/580481875.db2.gz ICQIKYZWSHWMLK-FQEVSTJZSA-N 2 1 345.487 1.880 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2nnc(-c3ccccc3)o2)C1 ZINC000779647771 580492555 /nfs/dbraw/zinc/49/25/55/580492555.db2.gz BKIYGLRRIRRKIO-AWEZNQCLSA-N 2 1 345.403 1.844 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2nnc(-c3ccccc3)o2)C1 ZINC000779647771 580492556 /nfs/dbraw/zinc/49/25/56/580492556.db2.gz BKIYGLRRIRRKIO-AWEZNQCLSA-N 2 1 345.403 1.844 20 0 EDADMP CCO[C@@H](C)c1noc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000779652348 580493028 /nfs/dbraw/zinc/49/30/28/580493028.db2.gz HINBPBSKQZUSJB-NWDGAFQWSA-N 2 1 341.412 1.275 20 0 EDADMP CCO[C@@H](C)c1noc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000779652348 580493029 /nfs/dbraw/zinc/49/30/29/580493029.db2.gz HINBPBSKQZUSJB-NWDGAFQWSA-N 2 1 341.412 1.275 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782615904 580580472 /nfs/dbraw/zinc/58/04/72/580580472.db2.gz HDONPNAWYIDZBB-UIXUWTQFSA-N 2 1 343.471 1.080 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782615904 580580473 /nfs/dbraw/zinc/58/04/73/580580473.db2.gz HDONPNAWYIDZBB-UIXUWTQFSA-N 2 1 343.471 1.080 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782615904 580580474 /nfs/dbraw/zinc/58/04/74/580580474.db2.gz HDONPNAWYIDZBB-UIXUWTQFSA-N 2 1 343.471 1.080 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782615904 580580475 /nfs/dbraw/zinc/58/04/75/580580475.db2.gz HDONPNAWYIDZBB-UIXUWTQFSA-N 2 1 343.471 1.080 20 0 EDADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C[C@@H](c3cncn3C)CC2=O)CC1 ZINC000783983242 580610142 /nfs/dbraw/zinc/61/01/42/580610142.db2.gz HAZOPFRREBRVIR-KRWDZBQOSA-N 2 1 347.507 1.746 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@@H](c3cncn3C)CC2=O)CC1 ZINC000783983242 580610143 /nfs/dbraw/zinc/61/01/43/580610143.db2.gz HAZOPFRREBRVIR-KRWDZBQOSA-N 2 1 347.507 1.746 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NCC(=O)NCc2ccccn2)[C@H](C)C1 ZINC000787303933 580692284 /nfs/dbraw/zinc/69/22/84/580692284.db2.gz NFOZDYSFDWNTJW-SJLPKXTDSA-N 2 1 348.491 1.424 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccccn2)[C@H](C)C1 ZINC000787303933 580692285 /nfs/dbraw/zinc/69/22/85/580692285.db2.gz NFOZDYSFDWNTJW-SJLPKXTDSA-N 2 1 348.491 1.424 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccccn2)[C@H](C)C1 ZINC000787303933 580692286 /nfs/dbraw/zinc/69/22/86/580692286.db2.gz NFOZDYSFDWNTJW-SJLPKXTDSA-N 2 1 348.491 1.424 20 0 EDADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000792973482 580832664 /nfs/dbraw/zinc/83/26/64/580832664.db2.gz LRQRCMDQXLHNCI-OAHLLOKOSA-N 2 1 329.485 1.678 20 0 EDADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000792973482 580832665 /nfs/dbraw/zinc/83/26/65/580832665.db2.gz LRQRCMDQXLHNCI-OAHLLOKOSA-N 2 1 329.485 1.678 20 0 EDADMP C[NH+](C)CCCNC(=S)N1CC[NH+](CCc2ccccc2)CC1 ZINC000797126704 580968725 /nfs/dbraw/zinc/96/87/25/580968725.db2.gz ROTNFDFOIQJDOG-UHFFFAOYSA-N 2 1 334.533 1.673 20 0 EDADMP CN1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+](C)CC1 ZINC000893066044 590644496 /nfs/dbraw/zinc/64/44/96/590644496.db2.gz DZYHLTZUEFAPLX-INIZCTEOSA-N 2 1 341.544 1.242 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C[C@@H]1C(F)(F)F ZINC000891857937 590659133 /nfs/dbraw/zinc/65/91/33/590659133.db2.gz HVSPRHMYCAZDIA-XBFCOCLRSA-N 2 1 348.413 1.782 20 0 EDADMP C[C@]1(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000891875232 590665223 /nfs/dbraw/zinc/66/52/23/590665223.db2.gz UEGBFFPFQADQJT-ZHALLVOQSA-N 2 1 330.476 1.935 20 0 EDADMP C[C@@]12CN(C(=O)NC[C@@H]3CCC[NH2+]3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000892000134 590736839 /nfs/dbraw/zinc/73/68/39/590736839.db2.gz QKASKKLKJGKLSD-CMKODMSKSA-N 2 1 342.487 1.902 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000892077695 590788551 /nfs/dbraw/zinc/78/85/51/590788551.db2.gz KAWZWPQYVPIUAK-RYQLBKOJSA-N 2 1 330.476 1.867 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2nccn2C2CC2)cc1 ZINC000893353303 590798993 /nfs/dbraw/zinc/79/89/93/590798993.db2.gz NBEUDINPJMRGEW-UHFFFAOYSA-N 2 1 341.459 1.799 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)[C@H]2C1 ZINC000892131433 590814216 /nfs/dbraw/zinc/81/42/16/590814216.db2.gz ZZEPTEBDPAHNGO-AEFFLSMTSA-N 2 1 343.475 1.392 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C(C)(C)C[NH+](C)C ZINC000893549693 590953710 /nfs/dbraw/zinc/95/37/10/590953710.db2.gz ZIAISUVKKMUTDC-JYJNAYRXSA-N 2 1 340.512 1.203 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892446056 591030714 /nfs/dbraw/zinc/03/07/14/591030714.db2.gz FNUNSJWUCJSXCD-WKILWMFISA-N 3 1 339.528 1.171 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892446056 591030719 /nfs/dbraw/zinc/03/07/19/591030719.db2.gz FNUNSJWUCJSXCD-WKILWMFISA-N 3 1 339.528 1.171 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892558634 591071590 /nfs/dbraw/zinc/07/15/90/591071590.db2.gz CQCRDJGDJWVKPT-CALCHBBNSA-N 2 1 345.491 1.187 20 0 EDADMP CN1Cc2ccccc2[C@@H](NC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1 ZINC000893854501 591117481 /nfs/dbraw/zinc/11/74/81/591117481.db2.gz APJZSBKXSFNLNT-AYBZRNKSSA-N 2 1 328.460 1.766 20 0 EDADMP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@H]3C[NH+](C)Cc4ccccc43)C[C@]2(C)C1 ZINC000893854501 591117484 /nfs/dbraw/zinc/11/74/84/591117484.db2.gz APJZSBKXSFNLNT-AYBZRNKSSA-N 2 1 328.460 1.766 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)N[C@H]3C[NH+](C)Cc4ccccc43)C[C@]2(C)C1 ZINC000893854501 591117485 /nfs/dbraw/zinc/11/74/85/591117485.db2.gz APJZSBKXSFNLNT-AYBZRNKSSA-N 2 1 328.460 1.766 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)C[C@]2(C)C1 ZINC000893854501 591117487 /nfs/dbraw/zinc/11/74/87/591117487.db2.gz APJZSBKXSFNLNT-AYBZRNKSSA-N 2 1 328.460 1.766 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)C[C@]2(C)C1 ZINC000893854501 591117489 /nfs/dbraw/zinc/11/74/89/591117489.db2.gz APJZSBKXSFNLNT-AYBZRNKSSA-N 2 1 328.460 1.766 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCCC[C@@H]([NH3+])C3)C2)CC1 ZINC000891561133 591125923 /nfs/dbraw/zinc/12/59/23/591125923.db2.gz URVPGOSCMWQUBG-HZPDHXFCSA-N 2 1 337.512 1.068 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCCCC[C@@H]([NH3+])C3)C2)CC1 ZINC000891561133 591125926 /nfs/dbraw/zinc/12/59/26/591125926.db2.gz URVPGOSCMWQUBG-HZPDHXFCSA-N 2 1 337.512 1.068 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000892687546 591131243 /nfs/dbraw/zinc/13/12/43/591131243.db2.gz VMXULDHLNFKSTC-HNNXBMFYSA-N 2 1 326.485 1.271 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000892687547 591131271 /nfs/dbraw/zinc/13/12/71/591131271.db2.gz VMXULDHLNFKSTC-OAHLLOKOSA-N 2 1 326.485 1.271 20 0 EDADMP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000891578719 591133888 /nfs/dbraw/zinc/13/38/88/591133888.db2.gz ZVGYHPUJAUBJSU-QZTJIDSGSA-N 2 1 328.460 1.484 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768006 591168605 /nfs/dbraw/zinc/16/86/05/591168605.db2.gz HJGIMNDBDISEQD-INIZCTEOSA-N 2 1 349.479 1.382 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892773510 591172457 /nfs/dbraw/zinc/17/24/57/591172457.db2.gz GCDYXESZFBUMMO-OWCLPIDISA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000894105435 591195576 /nfs/dbraw/zinc/19/55/76/591195576.db2.gz IUEOXQVLMQXTNG-CUSZFKRNSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894105435 591195578 /nfs/dbraw/zinc/19/55/78/591195578.db2.gz IUEOXQVLMQXTNG-CUSZFKRNSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000894105435 591195582 /nfs/dbraw/zinc/19/55/82/591195582.db2.gz IUEOXQVLMQXTNG-CUSZFKRNSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCCSC[C@H]1C ZINC000895666374 591246585 /nfs/dbraw/zinc/24/65/85/591246585.db2.gz MFNJXKNERVKBPQ-LSDHHAIUSA-N 2 1 330.542 1.795 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCCSC[C@H]1C ZINC000895666374 591246586 /nfs/dbraw/zinc/24/65/86/591246586.db2.gz MFNJXKNERVKBPQ-LSDHHAIUSA-N 2 1 330.542 1.795 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)c1nccc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000894251095 591247202 /nfs/dbraw/zinc/24/72/02/591247202.db2.gz GSTWHJLOYRIKDU-JKSUJKDBSA-N 2 1 332.496 1.537 20 0 EDADMP CN(C[C@H]1CCC[N@@H+]1C)c1nccc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000894251095 591247205 /nfs/dbraw/zinc/24/72/05/591247205.db2.gz GSTWHJLOYRIKDU-JKSUJKDBSA-N 2 1 332.496 1.537 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)c1nccc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000894251095 591247207 /nfs/dbraw/zinc/24/72/07/591247207.db2.gz GSTWHJLOYRIKDU-JKSUJKDBSA-N 2 1 332.496 1.537 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)C2)cc1 ZINC000896144812 591357320 /nfs/dbraw/zinc/35/73/20/591357320.db2.gz ZKXGMTJOYJEGSH-GBESFXJTSA-N 2 1 342.487 1.915 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@H]4C[NH+](C)C[C@H]43)C2)cc1 ZINC000896144812 591357324 /nfs/dbraw/zinc/35/73/24/591357324.db2.gz ZKXGMTJOYJEGSH-GBESFXJTSA-N 2 1 342.487 1.915 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC[C@H]4C[NH+](C)C[C@H]43)C2)cc1 ZINC000896144812 591357329 /nfs/dbraw/zinc/35/73/29/591357329.db2.gz ZKXGMTJOYJEGSH-GBESFXJTSA-N 2 1 342.487 1.915 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)NCC[N@H+]3CC[C@@H](C)C3)CC2)c1 ZINC000897433156 591412904 /nfs/dbraw/zinc/41/29/04/591412904.db2.gz QTFFPCXRUBATFI-OAHLLOKOSA-N 2 1 347.463 1.264 20 0 EDADMP CC[C@H]1COCCN1CCNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000898588435 591418387 /nfs/dbraw/zinc/41/83/87/591418387.db2.gz JDDBFZHEXRSHNK-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP CN(C)Cc1cnc(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)s1 ZINC000896395150 591448830 /nfs/dbraw/zinc/44/88/30/591448830.db2.gz REFYKVOQUJPGNV-MLGOLLRUSA-N 2 1 338.477 1.915 20 0 EDADMP CN(C)Cc1cnc(C[N@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)s1 ZINC000896395150 591448833 /nfs/dbraw/zinc/44/88/33/591448833.db2.gz REFYKVOQUJPGNV-MLGOLLRUSA-N 2 1 338.477 1.915 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000898663958 591460975 /nfs/dbraw/zinc/46/09/75/591460975.db2.gz AIFSLWXPPAQQNO-ROUUACIJSA-N 2 1 345.487 1.742 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000898663958 591460978 /nfs/dbraw/zinc/46/09/78/591460978.db2.gz AIFSLWXPPAQQNO-ROUUACIJSA-N 2 1 345.487 1.742 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000898663958 591460981 /nfs/dbraw/zinc/46/09/81/591460981.db2.gz AIFSLWXPPAQQNO-ROUUACIJSA-N 2 1 345.487 1.742 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000894989764 591509023 /nfs/dbraw/zinc/50/90/23/591509023.db2.gz MIENCRGHTHWPAA-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000894989764 591509026 /nfs/dbraw/zinc/50/90/26/591509026.db2.gz MIENCRGHTHWPAA-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000894989764 591509030 /nfs/dbraw/zinc/50/90/30/591509030.db2.gz MIENCRGHTHWPAA-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP CC1(C)CCC[N@H+]1CCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000909429137 591560984 /nfs/dbraw/zinc/56/09/84/591560984.db2.gz HKFRFVJVAUCEAA-UHFFFAOYSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000896789463 591612834 /nfs/dbraw/zinc/61/28/34/591612834.db2.gz DGUZNBLYZMRLGP-YJBOKZPZSA-N 2 1 345.491 1.980 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000896789463 591612836 /nfs/dbraw/zinc/61/28/36/591612836.db2.gz DGUZNBLYZMRLGP-YJBOKZPZSA-N 2 1 345.491 1.980 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000896789463 591612839 /nfs/dbraw/zinc/61/28/39/591612839.db2.gz DGUZNBLYZMRLGP-YJBOKZPZSA-N 2 1 345.491 1.980 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000896789463 591612840 /nfs/dbraw/zinc/61/28/40/591612840.db2.gz DGUZNBLYZMRLGP-YJBOKZPZSA-N 2 1 345.491 1.980 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc4nonc4c3)cn2)CC1 ZINC000897994404 591739660 /nfs/dbraw/zinc/73/96/60/591739660.db2.gz OKEOBGYTMVTVJR-UHFFFAOYSA-N 2 1 339.403 1.054 20 0 EDADMP CN1CCC[C@@H]1c1cc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)[nH]n1 ZINC000899223315 591740569 /nfs/dbraw/zinc/74/05/69/591740569.db2.gz DWHBLNVRTSONDB-MRXNPFEDSA-N 2 1 331.464 1.877 20 0 EDADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)n[nH]1 ZINC000899223315 591740572 /nfs/dbraw/zinc/74/05/72/591740572.db2.gz DWHBLNVRTSONDB-MRXNPFEDSA-N 2 1 331.464 1.877 20 0 EDADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)n[nH]1 ZINC000899223315 591740576 /nfs/dbraw/zinc/74/05/76/591740576.db2.gz DWHBLNVRTSONDB-MRXNPFEDSA-N 2 1 331.464 1.877 20 0 EDADMP Cc1cccc2nc(CCNC(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)cn21 ZINC000895533382 591791606 /nfs/dbraw/zinc/79/16/06/591791606.db2.gz HUBCHCDLAUMZOE-HOCLYGCPSA-N 2 1 327.432 1.531 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604055 591815728 /nfs/dbraw/zinc/81/57/28/591815728.db2.gz VRZFITPTXLAUKU-KFWWJZLASA-N 2 1 328.501 1.562 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604055 591815733 /nfs/dbraw/zinc/81/57/33/591815733.db2.gz VRZFITPTXLAUKU-KFWWJZLASA-N 2 1 328.501 1.562 20 0 EDADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCCC23CC[NH+](C)CC3)n[nH]1 ZINC000897288090 591816457 /nfs/dbraw/zinc/81/64/57/591816457.db2.gz RXOJSZCUARQJPQ-INIZCTEOSA-N 2 1 331.464 1.877 20 0 EDADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCCC23CC[NH+](C)CC3)n[nH]1 ZINC000897288090 591816460 /nfs/dbraw/zinc/81/64/60/591816460.db2.gz RXOJSZCUARQJPQ-INIZCTEOSA-N 2 1 331.464 1.877 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000900012553 591862424 /nfs/dbraw/zinc/86/24/24/591862424.db2.gz BQYFHXKRRZKQGA-JKIFEVAISA-N 2 1 337.489 1.456 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000900012553 591862428 /nfs/dbraw/zinc/86/24/28/591862428.db2.gz BQYFHXKRRZKQGA-JKIFEVAISA-N 2 1 337.489 1.456 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000900179573 591930253 /nfs/dbraw/zinc/93/02/53/591930253.db2.gz MWYKUOSWDUJYGE-AZUAARDMSA-N 2 1 345.487 1.614 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000900179573 591930257 /nfs/dbraw/zinc/93/02/57/591930257.db2.gz MWYKUOSWDUJYGE-AZUAARDMSA-N 2 1 345.487 1.614 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000900179573 591930259 /nfs/dbraw/zinc/93/02/59/591930259.db2.gz MWYKUOSWDUJYGE-AZUAARDMSA-N 2 1 345.487 1.614 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000900209107 591943522 /nfs/dbraw/zinc/94/35/22/591943522.db2.gz PBLLNSKEDMJPIC-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000900209107 591943525 /nfs/dbraw/zinc/94/35/25/591943525.db2.gz PBLLNSKEDMJPIC-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000900209107 591943528 /nfs/dbraw/zinc/94/35/28/591943528.db2.gz PBLLNSKEDMJPIC-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000900240003 591952280 /nfs/dbraw/zinc/95/22/80/591952280.db2.gz IDRWYDJZRWTKST-MSOLQXFVSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000900240003 591952282 /nfs/dbraw/zinc/95/22/82/591952282.db2.gz IDRWYDJZRWTKST-MSOLQXFVSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000900240003 591952285 /nfs/dbraw/zinc/95/22/85/591952285.db2.gz IDRWYDJZRWTKST-MSOLQXFVSA-N 2 1 336.524 1.536 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000900262452 591965158 /nfs/dbraw/zinc/96/51/58/591965158.db2.gz BUVZWWBEGOVYLM-LJQANCHMSA-N 2 1 346.475 1.009 20 0 EDADMP CN1CCN(c2cc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)ccn2)CC1 ZINC000902344980 591977354 /nfs/dbraw/zinc/97/73/54/591977354.db2.gz HPWKGCORFVEXPN-KRWDZBQOSA-N 2 1 331.508 1.701 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)C1([NH3+])CC1 ZINC000902384781 591989272 /nfs/dbraw/zinc/98/92/72/591989272.db2.gz OVHXMRXAODUCDR-XIKOKIGWSA-N 2 1 342.443 1.881 20 0 EDADMP [NH3+]C[C@@H]1CC2(CO1)CCN(c1nc(N[C@@H]3CCCOC3)cc[nH+]1)CC2 ZINC000900365923 591997830 /nfs/dbraw/zinc/99/78/30/591997830.db2.gz PNEYUCWSURPBMA-CABCVRRESA-N 2 1 347.463 1.402 20 0 EDADMP O=c1cc(N2CC[C@H]([NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)nc[nH]1 ZINC000902504013 592003506 /nfs/dbraw/zinc/00/35/06/592003506.db2.gz ZITCSBKREMDOAB-YESZJQIVSA-N 2 1 339.443 1.844 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccco1 ZINC000900406657 592009994 /nfs/dbraw/zinc/00/99/94/592009994.db2.gz TXRHLUXPRNPVGA-QAPCUYQASA-N 2 1 337.464 1.626 20 0 EDADMP Cn1nc(CONC(=[NH2+])[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1C(F)(F)F ZINC000902806416 592063423 /nfs/dbraw/zinc/06/34/23/592063423.db2.gz SWYSPVDKVBJQCP-WDEREUQCSA-N 2 1 347.341 1.301 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@H+]1C ZINC000903189228 592135966 /nfs/dbraw/zinc/13/59/66/592135966.db2.gz SXXDQNJOGYCXKT-ZIAGYGMSSA-N 2 1 331.526 1.699 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)[C@H](C)C1 ZINC000900825007 592138388 /nfs/dbraw/zinc/13/83/88/592138388.db2.gz QSQKMTBSEXJIRW-COXVUDFISA-N 2 1 333.480 1.979 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)[C@H](C)C1 ZINC000900825007 592138391 /nfs/dbraw/zinc/13/83/91/592138391.db2.gz QSQKMTBSEXJIRW-COXVUDFISA-N 2 1 333.480 1.979 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)[C@H](C)C1 ZINC000900825007 592138392 /nfs/dbraw/zinc/13/83/92/592138392.db2.gz QSQKMTBSEXJIRW-COXVUDFISA-N 2 1 333.480 1.979 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)[C@H](C)C1 ZINC000900825007 592138395 /nfs/dbraw/zinc/13/83/95/592138395.db2.gz QSQKMTBSEXJIRW-COXVUDFISA-N 2 1 333.480 1.979 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)[C@H](C)C1 ZINC000900825007 592138397 /nfs/dbraw/zinc/13/83/97/592138397.db2.gz QSQKMTBSEXJIRW-COXVUDFISA-N 2 1 333.480 1.979 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)[C@H](C)C1 ZINC000900825007 592138398 /nfs/dbraw/zinc/13/83/98/592138398.db2.gz QSQKMTBSEXJIRW-COXVUDFISA-N 2 1 333.480 1.979 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)[C@H](C)C1 ZINC000900825007 592138400 /nfs/dbraw/zinc/13/84/00/592138400.db2.gz QSQKMTBSEXJIRW-COXVUDFISA-N 2 1 333.480 1.979 20 0 EDADMP O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000903237704 592142140 /nfs/dbraw/zinc/14/21/40/592142140.db2.gz NNKXVMYDECQVFV-RYUDHWBXSA-N 2 1 346.353 1.228 20 0 EDADMP O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903237704 592142144 /nfs/dbraw/zinc/14/21/44/592142144.db2.gz NNKXVMYDECQVFV-RYUDHWBXSA-N 2 1 346.353 1.228 20 0 EDADMP Cc1cn2c(nc(C[NH+]3CCC(OCCC[NH3+])CC3)cc2=O)s1 ZINC000903425304 592167944 /nfs/dbraw/zinc/16/79/44/592167944.db2.gz ZVHCEDPOYSXVNX-UHFFFAOYSA-N 2 1 336.461 1.394 20 0 EDADMP C[C@H](c1ncccn1)[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000903464256 592172127 /nfs/dbraw/zinc/17/21/27/592172127.db2.gz FGURAUSBGHKFSZ-HUUCEWRRSA-N 2 1 341.463 1.550 20 0 EDADMP C[C@H](c1ncccn1)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000903464256 592172128 /nfs/dbraw/zinc/17/21/28/592172128.db2.gz FGURAUSBGHKFSZ-HUUCEWRRSA-N 2 1 341.463 1.550 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900931252 592177170 /nfs/dbraw/zinc/17/71/70/592177170.db2.gz DXOOTTQIUNBWBS-SZMVWBNQSA-N 2 1 337.508 1.555 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1nc3ccccc3n1C)C2 ZINC000903493169 592185543 /nfs/dbraw/zinc/18/55/43/592185543.db2.gz NITGZIHNSKXUGG-JCGVRSQUSA-N 2 1 328.416 1.286 20 0 EDADMP COC(=O)[C@@H](c1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507439 592198706 /nfs/dbraw/zinc/19/87/06/592198706.db2.gz ZQIMIPIDTWRDDN-IXDOHACOSA-N 2 1 349.500 1.863 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000900998266 592201399 /nfs/dbraw/zinc/20/13/99/592201399.db2.gz YJUMGRKNIHEOMK-DLBZAZTESA-N 2 1 336.524 1.534 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000900998266 592201400 /nfs/dbraw/zinc/20/14/00/592201400.db2.gz YJUMGRKNIHEOMK-DLBZAZTESA-N 2 1 336.524 1.534 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000900998266 592201401 /nfs/dbraw/zinc/20/14/01/592201401.db2.gz YJUMGRKNIHEOMK-DLBZAZTESA-N 2 1 336.524 1.534 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CC(C[NH3+])C3)c2)C1 ZINC000904360255 592238377 /nfs/dbraw/zinc/23/83/77/592238377.db2.gz JYGNTWLCAQONKE-LXPRWKDFSA-N 3 1 330.476 1.211 20 0 EDADMP Cc1csc(C[C@@H]2CC[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)n1 ZINC000904432624 592254727 /nfs/dbraw/zinc/25/47/27/592254727.db2.gz DFXOXZPDQOTBQH-LSDHHAIUSA-N 2 1 336.505 1.513 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000901182002 592267149 /nfs/dbraw/zinc/26/71/49/592267149.db2.gz XNEQFQSZCKJXHD-IEBWSBKVSA-N 2 1 337.508 1.556 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](Cc3nccs3)C2)cnn1C ZINC000904469904 592267537 /nfs/dbraw/zinc/26/75/37/592267537.db2.gz QYPOPDYZPVXWLI-LSDHHAIUSA-N 2 1 333.505 1.867 20 0 EDADMP COc1ccc(C[N@@H+](CCCO)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000904470932 592268050 /nfs/dbraw/zinc/26/80/50/592268050.db2.gz DBMLJTOYKLSYRP-KRWDZBQOSA-N 2 1 349.475 1.077 20 0 EDADMP O=C(Nc1cccc2c1CC[NH2+]C2)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904506037 592273805 /nfs/dbraw/zinc/27/38/05/592273805.db2.gz IGLDYARPFAKSTA-MSOLQXFVSA-N 2 1 344.459 1.395 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000904519005 592276522 /nfs/dbraw/zinc/27/65/22/592276522.db2.gz IWJUSRUPNWEAQV-IAGOWNOFSA-N 2 1 332.448 1.517 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000904519006 592276600 /nfs/dbraw/zinc/27/66/00/592276600.db2.gz IWJUSRUPNWEAQV-IRXDYDNUSA-N 2 1 332.448 1.517 20 0 EDADMP CC[N@H+](CC(=O)NCc1ccc(F)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719227 592281628 /nfs/dbraw/zinc/28/16/28/592281628.db2.gz WWDODFIXEBZXCM-PKOBYXMFSA-N 2 1 349.450 1.532 20 0 EDADMP CCN(CC)C(=O)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903722899 592284014 /nfs/dbraw/zinc/28/40/14/592284014.db2.gz FDUVHDUQIACERS-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP CCOC(=O)[C@H](CCc1ccccc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000903751217 592295856 /nfs/dbraw/zinc/29/58/56/592295856.db2.gz GCAFEVDMRZICRV-OALUTQOASA-N 2 1 345.487 1.530 20 0 EDADMP CCOC(=O)[C@H](CCc1ccccc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000903751217 592295859 /nfs/dbraw/zinc/29/58/59/592295859.db2.gz GCAFEVDMRZICRV-OALUTQOASA-N 2 1 345.487 1.530 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733510 592297083 /nfs/dbraw/zinc/29/70/83/592297083.db2.gz LMDKNDNUCXEOJN-QGZVFWFLSA-N 2 1 331.460 1.393 20 0 EDADMP C[N@H+](CC(=O)NCc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733510 592297086 /nfs/dbraw/zinc/29/70/86/592297086.db2.gz LMDKNDNUCXEOJN-QGZVFWFLSA-N 2 1 331.460 1.393 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CCOC)[C@H](CC)C2)C1 ZINC000906733557 592300250 /nfs/dbraw/zinc/30/02/50/592300250.db2.gz MVLKQFMTXISUGQ-DLBZAZTESA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)C1 ZINC000906733557 592300256 /nfs/dbraw/zinc/30/02/56/592300256.db2.gz MVLKQFMTXISUGQ-DLBZAZTESA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@@H+](CCOC)[C@H](CC)C2)C1 ZINC000906733557 592300262 /nfs/dbraw/zinc/30/02/62/592300262.db2.gz MVLKQFMTXISUGQ-DLBZAZTESA-N 2 1 325.497 1.678 20 0 EDADMP C[C@H](N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)C(F)(F)F ZINC000903739871 592301598 /nfs/dbraw/zinc/30/15/98/592301598.db2.gz ANTVQLZVNFHQNF-UONOGXRCSA-N 2 1 335.414 1.714 20 0 EDADMP CCc1noc([C@H](C)N2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)n1 ZINC000903739974 592302404 /nfs/dbraw/zinc/30/24/04/592302404.db2.gz QXAVKWLOQNUUPY-RLFYNMQTSA-N 2 1 349.479 1.079 20 0 EDADMP OC[C@H]1c2ccccc2OCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788315 592323488 /nfs/dbraw/zinc/32/34/88/592323488.db2.gz IIIBLQCVFCKNOA-WBVHZDCISA-N 2 1 332.444 1.573 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000901336110 592333261 /nfs/dbraw/zinc/33/32/61/592333261.db2.gz IBLAAJLEJAMYFC-QFBILLFUSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901336110 592333264 /nfs/dbraw/zinc/33/32/64/592333264.db2.gz IBLAAJLEJAMYFC-QFBILLFUSA-N 2 1 333.476 1.470 20 0 EDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)C1 ZINC000903825021 592334507 /nfs/dbraw/zinc/33/45/07/592334507.db2.gz XFNQRHSBKMCSCJ-VGWMRTNUSA-N 2 1 337.851 1.385 20 0 EDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)C1 ZINC000903825021 592334509 /nfs/dbraw/zinc/33/45/09/592334509.db2.gz XFNQRHSBKMCSCJ-VGWMRTNUSA-N 2 1 337.851 1.385 20 0 EDADMP [NH3+]C[C@]12CC[C@H]1CCN2CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000903856519 592347934 /nfs/dbraw/zinc/34/79/34/592347934.db2.gz RPQZHSYJEQKAPM-AZUAARDMSA-N 2 1 342.487 1.144 20 0 EDADMP CCCC(=O)NC[C@H]1CCC[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903888580 592351564 /nfs/dbraw/zinc/35/15/64/592351564.db2.gz GLYRZQOIXRYYLC-SJORKVTESA-N 2 1 349.523 1.474 20 0 EDADMP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000903870791 592353302 /nfs/dbraw/zinc/35/33/02/592353302.db2.gz JOSWDSWADKSCJF-JHJVBQTASA-N 2 1 340.411 1.428 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903873188 592354321 /nfs/dbraw/zinc/35/43/21/592354321.db2.gz MCSOKFBIURFUEB-ONIAQPFYSA-N 2 1 348.491 1.652 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903873188 592354325 /nfs/dbraw/zinc/35/43/25/592354325.db2.gz MCSOKFBIURFUEB-ONIAQPFYSA-N 2 1 348.491 1.652 20 0 EDADMP COc1cc(C[N@@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc(OC)c1 ZINC000903884269 592362274 /nfs/dbraw/zinc/36/22/74/592362274.db2.gz VYZUUXBHKIFSFY-MRXNPFEDSA-N 2 1 346.475 1.995 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCc3ccccc3[C@@H]2CO)cnn1C ZINC000903895596 592367542 /nfs/dbraw/zinc/36/75/42/592367542.db2.gz OQJRKCQKFNEEJV-KXBFYZLASA-N 2 1 328.460 1.438 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)[C@@H](CCO)c2ccccc2)cnn1C ZINC000903895648 592368104 /nfs/dbraw/zinc/36/81/04/592368104.db2.gz PNNKWNHVOAGCPU-APWZRJJASA-N 2 1 330.476 1.901 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cnn1C ZINC000903898742 592368947 /nfs/dbraw/zinc/36/89/47/592368947.db2.gz OKKGYCGJVPAKGF-KYJSFNMBSA-N 2 1 330.480 1.626 20 0 EDADMP Cc1nnc([C@H]2CCC[N@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)[nH]1 ZINC000903898368 592369229 /nfs/dbraw/zinc/36/92/29/592369229.db2.gz KHXPWSCGXDFICI-GJZGRUSLSA-N 2 1 331.468 1.152 20 0 EDADMP Cc1n[nH]c([C@H]2CCC[N@@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903898368 592369234 /nfs/dbraw/zinc/36/92/34/592369234.db2.gz KHXPWSCGXDFICI-GJZGRUSLSA-N 2 1 331.468 1.152 20 0 EDADMP Cc1n[nH]c([C@H]2CCC[N@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903898368 592369238 /nfs/dbraw/zinc/36/92/38/592369238.db2.gz KHXPWSCGXDFICI-GJZGRUSLSA-N 2 1 331.468 1.152 20 0 EDADMP O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903915494 592370493 /nfs/dbraw/zinc/37/04/93/592370493.db2.gz ZTDMYTIEVNRGOO-WTXIUTQJSA-N 2 1 327.494 1.017 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])CN2CC[N@@H+](C)CC23CCCCC3)cnn1C ZINC000903899838 592370946 /nfs/dbraw/zinc/37/09/46/592370946.db2.gz WKVKIUCZQLLBQB-KRWDZBQOSA-N 2 1 333.524 1.796 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000903918605 592376225 /nfs/dbraw/zinc/37/62/25/592376225.db2.gz COMYHSYKQSMECF-QAPCUYQASA-N 2 1 326.448 1.179 20 0 EDADMP COCc1cc(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)ccc1F ZINC000903923674 592379675 /nfs/dbraw/zinc/37/96/75/592379675.db2.gz ZXDAKIROGALBEI-HNNXBMFYSA-N 2 1 333.411 1.778 20 0 EDADMP O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903929388 592382264 /nfs/dbraw/zinc/38/22/64/592382264.db2.gz DGALSXJXRMBGKS-CGTJXYLNSA-N 2 1 327.432 1.511 20 0 EDADMP O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903929388 592382273 /nfs/dbraw/zinc/38/22/73/592382273.db2.gz DGALSXJXRMBGKS-CGTJXYLNSA-N 2 1 327.432 1.511 20 0 EDADMP COc1ccc2c(c1)CC[N@@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903933379 592385369 /nfs/dbraw/zinc/38/53/69/592385369.db2.gz PUIWBLBBMPHJBQ-OAHLLOKOSA-N 2 1 328.460 1.913 20 0 EDADMP COc1ccc2c(c1)CC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903933379 592385376 /nfs/dbraw/zinc/38/53/76/592385376.db2.gz PUIWBLBBMPHJBQ-OAHLLOKOSA-N 2 1 328.460 1.913 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CC1(O)CCCC1 ZINC000905113211 592412590 /nfs/dbraw/zinc/41/25/90/592412590.db2.gz ZUWPHBDQIITUAX-IAGOWNOFSA-N 2 1 326.481 1.276 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)Nc2cccc(C[NH+]3CC[C@@H](O)C3)c2)C1 ZINC000908319969 592432148 /nfs/dbraw/zinc/43/21/48/592432148.db2.gz ZIRQYBTXCGUGQT-MJGOQNOKSA-N 2 1 347.459 1.039 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)CC2(O)CCCCC2)CCCO1 ZINC000905229303 592458327 /nfs/dbraw/zinc/45/83/27/592458327.db2.gz AMFGSLYVRYADGC-DLBZAZTESA-N 2 1 328.497 1.523 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000905435360 592533818 /nfs/dbraw/zinc/53/38/18/592533818.db2.gz BLUUCTVPKRPHQO-SFHVURJKSA-N 2 1 336.524 1.348 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)C3(O)CCCC3)C2)[C@H]1C(C)C ZINC000905502557 592546354 /nfs/dbraw/zinc/54/63/54/592546354.db2.gz KQMJBDIDJZEYMI-ZKXLYKBJSA-N 2 1 340.508 1.112 20 0 EDADMP CCO[C@@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000905580285 592579555 /nfs/dbraw/zinc/57/95/55/592579555.db2.gz NDWDLSCWKWHAJA-OALUTQOASA-N 2 1 335.492 1.180 20 0 EDADMP CC(C)Oc1cc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)ncn1 ZINC000905701320 592614706 /nfs/dbraw/zinc/61/47/06/592614706.db2.gz MHMYJAQBUPAWON-IYBDPMFKSA-N 2 1 331.464 1.669 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H](O)C[C@]3(O)CCOC3)C2)c1 ZINC000905925564 592684896 /nfs/dbraw/zinc/68/48/96/592684896.db2.gz UMUPULWQTSCBST-XYJFISCASA-N 2 1 335.448 1.026 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H](O)C[C@]3(O)CCOC3)C2)c1 ZINC000905925564 592684898 /nfs/dbraw/zinc/68/48/98/592684898.db2.gz UMUPULWQTSCBST-XYJFISCASA-N 2 1 335.448 1.026 20 0 EDADMP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000907555799 592706144 /nfs/dbraw/zinc/70/61/44/592706144.db2.gz XNALNYXAGMRYRQ-DNVCBOLYSA-N 2 1 346.475 1.382 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000907555799 592706146 /nfs/dbraw/zinc/70/61/46/592706146.db2.gz XNALNYXAGMRYRQ-DNVCBOLYSA-N 2 1 346.475 1.382 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NC2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000907689241 592758446 /nfs/dbraw/zinc/75/84/46/592758446.db2.gz PVQYKUTWMZHXGI-HNNXBMFYSA-N 2 1 333.480 1.627 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000907689241 592758448 /nfs/dbraw/zinc/75/84/48/592758448.db2.gz PVQYKUTWMZHXGI-HNNXBMFYSA-N 2 1 333.480 1.627 20 0 EDADMP C[N@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C2(CCCCC2)C1 ZINC000906221973 592761125 /nfs/dbraw/zinc/76/11/25/592761125.db2.gz LIIZSGARKQAGEM-UHFFFAOYSA-N 2 1 345.491 1.439 20 0 EDADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221869 592761227 /nfs/dbraw/zinc/76/12/27/592761227.db2.gz JDUWHUAWLSCTBG-JKSUJKDBSA-N 2 1 331.464 1.047 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)C(C)(C)[NH+]2CCCCC2)CCCO1 ZINC000907757576 592780072 /nfs/dbraw/zinc/78/00/72/592780072.db2.gz WUBOLFVKDPNMFE-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000907762212 592781537 /nfs/dbraw/zinc/78/15/37/592781537.db2.gz INHBBUHPDPJLRO-GOSISDBHSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000907762212 592781541 /nfs/dbraw/zinc/78/15/41/592781541.db2.gz INHBBUHPDPJLRO-GOSISDBHSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000907762212 592781543 /nfs/dbraw/zinc/78/15/43/592781543.db2.gz INHBBUHPDPJLRO-GOSISDBHSA-N 2 1 336.524 1.536 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909315489 592808107 /nfs/dbraw/zinc/80/81/07/592808107.db2.gz KPJVUKYCVZCZHS-HNNXBMFYSA-N 2 1 349.479 1.115 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000907908026 592840800 /nfs/dbraw/zinc/84/08/00/592840800.db2.gz XSZYSPQHHDAIAJ-UHFFFAOYSA-N 2 1 336.524 1.536 20 0 EDADMP CN1CCN(C[C@@H]2CN([C@@H]3C[C@H]3c3cccc(F)c3)CCO2)CC1 ZINC000906589511 592853045 /nfs/dbraw/zinc/85/30/45/592853045.db2.gz CXKMFNBDUVBGLE-CEXWTWQISA-N 2 1 333.451 1.630 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000907952980 592855064 /nfs/dbraw/zinc/85/50/64/592855064.db2.gz IAHMJIVYZFTZBB-GOSISDBHSA-N 2 1 336.524 1.393 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000907952980 592855065 /nfs/dbraw/zinc/85/50/65/592855065.db2.gz IAHMJIVYZFTZBB-GOSISDBHSA-N 2 1 336.524 1.393 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000907952980 592855066 /nfs/dbraw/zinc/85/50/66/592855066.db2.gz IAHMJIVYZFTZBB-GOSISDBHSA-N 2 1 336.524 1.393 20 0 EDADMP C[NH2+]CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C(C)C ZINC000910993914 592908262 /nfs/dbraw/zinc/90/82/62/592908262.db2.gz SQQVOBSDFBWBKB-SJORKVTESA-N 2 1 346.475 1.004 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000911139119 592934821 /nfs/dbraw/zinc/93/48/21/592934821.db2.gz WYTLPJCIKOABLN-UHFFFAOYSA-N 2 1 340.512 1.058 20 0 EDADMP C[NH2+]CCCNC(=O)[C@@H]([NH3+])c1ccccc1I ZINC000911677991 592980437 /nfs/dbraw/zinc/98/04/37/592980437.db2.gz XCAOIUVQSYAGKT-NSHDSACASA-N 2 1 347.200 1.017 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=S)NCCC[NH+](C)C)[C@@H](C)C1 ZINC000734386753 592961456 /nfs/dbraw/zinc/96/14/56/592961456.db2.gz UXCTXGLXJNEJFT-JKSUJKDBSA-N 2 1 344.569 1.539 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911774427 593002597 /nfs/dbraw/zinc/00/25/97/593002597.db2.gz HWQYFDALIVQSIQ-PKOBYXMFSA-N 2 1 344.503 1.118 20 0 EDADMP CC[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911841275 593021684 /nfs/dbraw/zinc/02/16/84/593021684.db2.gz OAPPQDHYLQSOAR-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP CC[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911841275 593021686 /nfs/dbraw/zinc/02/16/86/593021686.db2.gz OAPPQDHYLQSOAR-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000911881405 593030142 /nfs/dbraw/zinc/03/01/42/593030142.db2.gz RAXKMNJYYNFWBC-FZCLSBEQSA-N 2 1 331.460 1.329 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000912065088 593055095 /nfs/dbraw/zinc/05/50/95/593055095.db2.gz IGQYCPGFQLOGCQ-MSOLQXFVSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000912065088 593055096 /nfs/dbraw/zinc/05/50/96/593055096.db2.gz IGQYCPGFQLOGCQ-MSOLQXFVSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000912065088 593055097 /nfs/dbraw/zinc/05/50/97/593055097.db2.gz IGQYCPGFQLOGCQ-MSOLQXFVSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@]1(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C[NH+]2CCC1CC2 ZINC000912380471 593089307 /nfs/dbraw/zinc/08/93/07/593089307.db2.gz UAGRKYCXZHKTPS-PXNSSMCTSA-N 2 1 342.487 1.894 20 0 EDADMP OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000808795735 593288566 /nfs/dbraw/zinc/28/85/66/593288566.db2.gz XKZAUNWPZXUAKS-MOPGFXCFSA-N 2 1 336.451 1.509 20 0 EDADMP OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000808795735 593288569 /nfs/dbraw/zinc/28/85/69/593288569.db2.gz XKZAUNWPZXUAKS-MOPGFXCFSA-N 2 1 336.451 1.509 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)C[C@@H]2C1 ZINC000812321209 593496308 /nfs/dbraw/zinc/49/63/08/593496308.db2.gz BWMXURZGTOPZOW-QRVBRYPASA-N 2 1 342.487 1.704 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)C[C@@H]2C1 ZINC000812321209 593496309 /nfs/dbraw/zinc/49/63/09/593496309.db2.gz BWMXURZGTOPZOW-QRVBRYPASA-N 2 1 342.487 1.704 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)C[C@@H]2C1 ZINC000812321209 593496310 /nfs/dbraw/zinc/49/63/10/593496310.db2.gz BWMXURZGTOPZOW-QRVBRYPASA-N 2 1 342.487 1.704 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NOC/C=C/Cl ZINC000812705832 593507618 /nfs/dbraw/zinc/50/76/18/593507618.db2.gz GLAFNXJQHKKPMV-OWNNVSBGSA-N 2 1 332.876 1.728 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1cccnc1-n1cc[nH+]c1C ZINC000818970342 593731049 /nfs/dbraw/zinc/73/10/49/593731049.db2.gz NKNACMRNILHVOD-BBRMVZONSA-N 2 1 334.420 1.078 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819061240 593736514 /nfs/dbraw/zinc/73/65/14/593736514.db2.gz KFJKWJXLEYPHHT-HNNXBMFYSA-N 2 1 343.830 1.266 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000820100563 593791312 /nfs/dbraw/zinc/79/13/12/593791312.db2.gz NWDTYZBYUYDJBI-FQBWVUSXSA-N 2 1 341.455 1.096 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000820100563 593791313 /nfs/dbraw/zinc/79/13/13/593791313.db2.gz NWDTYZBYUYDJBI-FQBWVUSXSA-N 2 1 341.455 1.096 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000820100563 593791314 /nfs/dbraw/zinc/79/13/14/593791314.db2.gz NWDTYZBYUYDJBI-FQBWVUSXSA-N 2 1 341.455 1.096 20 0 EDADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@@H]21 ZINC000821625848 593887464 /nfs/dbraw/zinc/88/74/64/593887464.db2.gz WVURJYADIJNFMQ-CJNGLKHVSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@@H]21 ZINC000821625848 593887466 /nfs/dbraw/zinc/88/74/66/593887466.db2.gz WVURJYADIJNFMQ-CJNGLKHVSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@@H]21 ZINC000821625848 593887469 /nfs/dbraw/zinc/88/74/69/593887469.db2.gz WVURJYADIJNFMQ-CJNGLKHVSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@@H]21 ZINC000821625848 593887474 /nfs/dbraw/zinc/88/74/74/593887474.db2.gz WVURJYADIJNFMQ-CJNGLKHVSA-N 2 1 330.411 1.922 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2CCCO)C1 ZINC000820809700 593895065 /nfs/dbraw/zinc/89/50/65/593895065.db2.gz GUOBZNTUYKJEJA-BRWVUGGUSA-N 2 1 325.497 1.495 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(C[NH+]2CCCCC2)o1 ZINC000820990257 593937602 /nfs/dbraw/zinc/93/76/02/593937602.db2.gz MBSKSVHGGJBRRV-MRXNPFEDSA-N 2 1 349.475 1.842 20 0 EDADMP C[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000822951264 594127420 /nfs/dbraw/zinc/12/74/20/594127420.db2.gz ONRMJOKYTLMUOM-UKRRQHHQSA-N 2 1 342.447 1.739 20 0 EDADMP C[NH+](C)CCONC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000823254990 594176265 /nfs/dbraw/zinc/17/62/65/594176265.db2.gz JWNZHXPRYROTKN-MJGOQNOKSA-N 2 1 347.459 1.135 20 0 EDADMP C[NH+](C)CCONC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000823254990 594176266 /nfs/dbraw/zinc/17/62/66/594176266.db2.gz JWNZHXPRYROTKN-MJGOQNOKSA-N 2 1 347.459 1.135 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)C(C)C ZINC000830357480 594381931 /nfs/dbraw/zinc/38/19/31/594381931.db2.gz AXXXWWKVVDHNOV-INIZCTEOSA-N 2 1 340.512 1.070 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826330678 594429681 /nfs/dbraw/zinc/42/96/81/594429681.db2.gz CWSNPQUWXMLBGW-UHFFFAOYSA-N 2 1 341.419 1.773 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826330678 594429684 /nfs/dbraw/zinc/42/96/84/594429684.db2.gz CWSNPQUWXMLBGW-UHFFFAOYSA-N 2 1 341.419 1.773 20 0 EDADMP [NH3+]CCCCCCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000831138354 594566391 /nfs/dbraw/zinc/56/63/91/594566391.db2.gz RRWBYZWJHJYNIO-HZPDHXFCSA-N 2 1 326.485 1.448 20 0 EDADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CC[NH+]1CCOCC1 ZINC000829573318 594643076 /nfs/dbraw/zinc/64/30/76/594643076.db2.gz VHWADXACQCGYOB-UHFFFAOYSA-N 2 1 325.497 1.535 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000841050315 594844639 /nfs/dbraw/zinc/84/46/39/594844639.db2.gz FEHQGVOOWFERRW-AWEZNQCLSA-N 2 1 332.448 1.335 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(CC[NH3+])cc1)c1ccco1 ZINC000841627044 594929939 /nfs/dbraw/zinc/92/99/39/594929939.db2.gz YINIRSFGEUIFIU-INIZCTEOSA-N 2 1 330.432 1.883 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000841727531 594944169 /nfs/dbraw/zinc/94/41/69/594944169.db2.gz UKFUMWPZCAFVAW-INIZCTEOSA-N 2 1 342.447 1.892 20 0 EDADMP C[C@@]1(CNC(=O)NCC(F)(F)C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000841899096 594977096 /nfs/dbraw/zinc/97/70/96/594977096.db2.gz SLUBHPBWQYNGEI-INIZCTEOSA-N 2 1 340.418 1.792 20 0 EDADMP C[C@@]1(CNC(=O)NCC(F)(F)C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000841899096 594977099 /nfs/dbraw/zinc/97/70/99/594977099.db2.gz SLUBHPBWQYNGEI-INIZCTEOSA-N 2 1 340.418 1.792 20 0 EDADMP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843362559 595087715 /nfs/dbraw/zinc/08/77/15/595087715.db2.gz KFGHSINSWOIWSQ-OAGGEKHMSA-N 2 1 346.475 1.519 20 0 EDADMP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843362559 595087720 /nfs/dbraw/zinc/08/77/20/595087720.db2.gz KFGHSINSWOIWSQ-OAGGEKHMSA-N 2 1 346.475 1.519 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843388838 595096936 /nfs/dbraw/zinc/09/69/36/595096936.db2.gz YSPHLLATGGKHHF-OLZOCXBDSA-N 2 1 343.431 1.529 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H](O)c2cnc[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000867400630 595101909 /nfs/dbraw/zinc/10/19/09/595101909.db2.gz DBPIYBPMYIEWAX-NVXWUHKLSA-N 2 1 328.416 1.566 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(O)cc2)C1 ZINC000846227238 595179510 /nfs/dbraw/zinc/17/95/10/595179510.db2.gz KSMHKVSVWKRYPL-KBRIMQKVSA-N 2 1 333.432 1.692 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(O)cc2)C1 ZINC000846227238 595179512 /nfs/dbraw/zinc/17/95/12/595179512.db2.gz KSMHKVSVWKRYPL-KBRIMQKVSA-N 2 1 333.432 1.692 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCCCC1 ZINC000837766380 595190655 /nfs/dbraw/zinc/19/06/55/595190655.db2.gz DLRZTKBBWQPNJS-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP COCC[N@H+]1[C@H](C)CN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C[C@@H]1C ZINC000844023098 595247005 /nfs/dbraw/zinc/24/70/05/595247005.db2.gz NNOGYKIQYDOCNB-DAYGRLMNSA-N 2 1 343.487 1.767 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C[C@@H]1C ZINC000844023098 595247007 /nfs/dbraw/zinc/24/70/07/595247007.db2.gz NNOGYKIQYDOCNB-DAYGRLMNSA-N 2 1 343.487 1.767 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H]1C ZINC000844023098 595247009 /nfs/dbraw/zinc/24/70/09/595247009.db2.gz NNOGYKIQYDOCNB-DAYGRLMNSA-N 2 1 343.487 1.767 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1C ZINC000844023098 595247010 /nfs/dbraw/zinc/24/70/10/595247010.db2.gz NNOGYKIQYDOCNB-DAYGRLMNSA-N 2 1 343.487 1.767 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844184166 595295367 /nfs/dbraw/zinc/29/53/67/595295367.db2.gz BCOPEKSDDVIFCO-HZPDHXFCSA-N 2 1 325.497 1.772 20 0 EDADMP CO[C@@H]1CCN(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844695257 595375620 /nfs/dbraw/zinc/37/56/20/595375620.db2.gz UYWBXECHMHWAJU-OTWHNJEPSA-N 2 1 343.471 1.645 20 0 EDADMP CO[C@@H]1CC[N@H+](CN2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844695257 595375623 /nfs/dbraw/zinc/37/56/23/595375623.db2.gz UYWBXECHMHWAJU-OTWHNJEPSA-N 2 1 343.471 1.645 20 0 EDADMP CO[C@@H]1CC[N@@H+](CN2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844695257 595375626 /nfs/dbraw/zinc/37/56/26/595375626.db2.gz UYWBXECHMHWAJU-OTWHNJEPSA-N 2 1 343.471 1.645 20 0 EDADMP CO[C@@H]1CC[NH+](CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844695257 595375629 /nfs/dbraw/zinc/37/56/29/595375629.db2.gz UYWBXECHMHWAJU-OTWHNJEPSA-N 2 1 343.471 1.645 20 0 EDADMP CO[C@@H]1CC[NH+](CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844695257 595375632 /nfs/dbraw/zinc/37/56/32/595375632.db2.gz UYWBXECHMHWAJU-OTWHNJEPSA-N 2 1 343.471 1.645 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847331124 595397790 /nfs/dbraw/zinc/39/77/90/595397790.db2.gz IDTYJWJTZUZPGB-NRKLIOEPSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847331124 595397792 /nfs/dbraw/zinc/39/77/92/595397792.db2.gz IDTYJWJTZUZPGB-NRKLIOEPSA-N 2 1 340.512 1.656 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)n3)C2)C1 ZINC000844902847 595411220 /nfs/dbraw/zinc/41/12/20/595411220.db2.gz RISRQABMTNVUNJ-GPMSIDNRSA-N 2 1 341.459 1.986 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)n3)C2)C1 ZINC000844902847 595411221 /nfs/dbraw/zinc/41/12/21/595411221.db2.gz RISRQABMTNVUNJ-GPMSIDNRSA-N 2 1 341.459 1.986 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[S@@](C)=O)cc1 ZINC000849051104 595475749 /nfs/dbraw/zinc/47/57/49/595475749.db2.gz WRVWYTZBEAGIJP-WAIKUNEKSA-N 2 1 336.505 1.663 20 0 EDADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000845444767 595498559 /nfs/dbraw/zinc/49/85/59/595498559.db2.gz FOTCNKXXDKGTTO-ZIAGYGMSSA-N 2 1 342.484 1.042 20 0 EDADMP C[C@@H]1CCC[N@H+](CC(=O)N=c2cc(C(C)(C)C)[nH]n2C)[C@@H]1CCC[NH3+] ZINC000852758836 595530480 /nfs/dbraw/zinc/53/04/80/595530480.db2.gz FOYOZOJTDAQKGP-HUUCEWRRSA-N 2 1 349.523 1.917 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)N=c2cc(C(C)(C)C)[nH]n2C)[C@@H]1CCC[NH3+] ZINC000852758836 595530483 /nfs/dbraw/zinc/53/04/83/595530483.db2.gz FOYOZOJTDAQKGP-HUUCEWRRSA-N 2 1 349.523 1.917 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC2CN(C(=O)OC(C)(C)C)C2)CCO1 ZINC000852761360 595531409 /nfs/dbraw/zinc/53/14/09/595531409.db2.gz UWMIFASOPOSWNS-INIZCTEOSA-N 2 1 341.496 1.896 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849499479 595552042 /nfs/dbraw/zinc/55/20/42/595552042.db2.gz MQFRESJMNFZFFO-KBAYOESNSA-N 2 1 347.507 1.304 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849499479 595552046 /nfs/dbraw/zinc/55/20/46/595552046.db2.gz MQFRESJMNFZFFO-KBAYOESNSA-N 2 1 347.507 1.304 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849499479 595552050 /nfs/dbraw/zinc/55/20/50/595552050.db2.gz MQFRESJMNFZFFO-KBAYOESNSA-N 2 1 347.507 1.304 20 0 EDADMP CN(C)c1cc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc[nH+]1 ZINC000849556994 595566128 /nfs/dbraw/zinc/56/61/28/595566128.db2.gz FGEXGWKEFHQAPN-HZPDHXFCSA-N 2 1 342.447 1.555 20 0 EDADMP CN(C)c1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc[nH+]1 ZINC000849556994 595566131 /nfs/dbraw/zinc/56/61/31/595566131.db2.gz FGEXGWKEFHQAPN-HZPDHXFCSA-N 2 1 342.447 1.555 20 0 EDADMP [NH3+][C@@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1Br ZINC000852834416 595567080 /nfs/dbraw/zinc/56/70/80/595567080.db2.gz PQFRJLWISQYRKX-HIFRSBDPSA-N 2 1 338.249 1.803 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597098 595586368 /nfs/dbraw/zinc/58/63/68/595586368.db2.gz RAGDADVKLSHTQP-DJIMGWMZSA-N 2 1 335.496 1.300 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597098 595586370 /nfs/dbraw/zinc/58/63/70/595586370.db2.gz RAGDADVKLSHTQP-DJIMGWMZSA-N 2 1 335.496 1.300 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597098 595586374 /nfs/dbraw/zinc/58/63/74/595586374.db2.gz RAGDADVKLSHTQP-DJIMGWMZSA-N 2 1 335.496 1.300 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[C@H](C)[N@@H+]1C ZINC000849598444 595587742 /nfs/dbraw/zinc/58/77/42/595587742.db2.gz ZMRGEFJKOSJEGC-WTTBNOFXSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C[C@H](C)[NH+]1C ZINC000849598444 595587744 /nfs/dbraw/zinc/58/77/44/595587744.db2.gz ZMRGEFJKOSJEGC-WTTBNOFXSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C[C@H](C)[NH+]1C ZINC000849598444 595587746 /nfs/dbraw/zinc/58/77/46/595587746.db2.gz ZMRGEFJKOSJEGC-WTTBNOFXSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C[C@H](C)[N@@H+]1C ZINC000849598443 595587864 /nfs/dbraw/zinc/58/78/64/595587864.db2.gz ZMRGEFJKOSJEGC-HDEZJCGLSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C[C@H](C)[NH+]1C ZINC000849598443 595587867 /nfs/dbraw/zinc/58/78/67/595587867.db2.gz ZMRGEFJKOSJEGC-HDEZJCGLSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C[C@H](C)[NH+]1C ZINC000849598443 595587870 /nfs/dbraw/zinc/58/78/70/595587870.db2.gz ZMRGEFJKOSJEGC-HDEZJCGLSA-N 2 1 333.480 1.006 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCC2([NH+](C)C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849599663 595588884 /nfs/dbraw/zinc/58/88/84/595588884.db2.gz BCGOVSDDTGQWRA-IAGOWNOFSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849602696 595590992 /nfs/dbraw/zinc/59/09/92/595590992.db2.gz PYYHIGHMVRRVSB-OKZBNKHCSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849602696 595590996 /nfs/dbraw/zinc/59/09/96/595590996.db2.gz PYYHIGHMVRRVSB-OKZBNKHCSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849602696 595591000 /nfs/dbraw/zinc/59/10/00/595591000.db2.gz PYYHIGHMVRRVSB-OKZBNKHCSA-N 2 1 347.507 1.397 20 0 EDADMP NC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853093814 595663432 /nfs/dbraw/zinc/66/34/32/595663432.db2.gz RVMCSNWYQWFXOP-KRWDZBQOSA-N 2 1 331.460 1.762 20 0 EDADMP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000850354212 595816631 /nfs/dbraw/zinc/81/66/31/595816631.db2.gz YBYCPEKAELQGPW-UMVBOHGHSA-N 2 1 327.494 1.860 20 0 EDADMP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000850354210 595816755 /nfs/dbraw/zinc/81/67/55/595816755.db2.gz YBYCPEKAELQGPW-GZBFAFLISA-N 2 1 327.494 1.860 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCC(=O)NC)C2)ccn1 ZINC000856584265 596021109 /nfs/dbraw/zinc/02/11/09/596021109.db2.gz GIDIJRYQFWOMNG-QGZVFWFLSA-N 2 1 334.464 1.513 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCC(=O)NC)C2)ccn1 ZINC000856584265 596021110 /nfs/dbraw/zinc/02/11/10/596021110.db2.gz GIDIJRYQFWOMNG-QGZVFWFLSA-N 2 1 334.464 1.513 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCC(=O)NC)C2)ccn1 ZINC000856584265 596021113 /nfs/dbraw/zinc/02/11/13/596021113.db2.gz GIDIJRYQFWOMNG-QGZVFWFLSA-N 2 1 334.464 1.513 20 0 EDADMP CCOC(=O)CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856589815 596024523 /nfs/dbraw/zinc/02/45/23/596024523.db2.gz OCXQVJAGCMPYFA-QGZVFWFLSA-N 2 1 335.448 1.940 20 0 EDADMP CCOC(=O)CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856589815 596024525 /nfs/dbraw/zinc/02/45/25/596024525.db2.gz OCXQVJAGCMPYFA-QGZVFWFLSA-N 2 1 335.448 1.940 20 0 EDADMP CCOC(=O)CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856589815 596024529 /nfs/dbraw/zinc/02/45/29/596024529.db2.gz OCXQVJAGCMPYFA-QGZVFWFLSA-N 2 1 335.448 1.940 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC000856635371 596041234 /nfs/dbraw/zinc/04/12/34/596041234.db2.gz QYTUBSSJZYRSRF-MSOLQXFVSA-N 2 1 346.475 1.607 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)ccn1 ZINC000856635371 596041237 /nfs/dbraw/zinc/04/12/37/596041237.db2.gz QYTUBSSJZYRSRF-MSOLQXFVSA-N 2 1 346.475 1.607 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)ccn1 ZINC000856635371 596041239 /nfs/dbraw/zinc/04/12/39/596041239.db2.gz QYTUBSSJZYRSRF-MSOLQXFVSA-N 2 1 346.475 1.607 20 0 EDADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[C@H]1C[NH+](C)CCO1 ZINC000857158588 596171609 /nfs/dbraw/zinc/17/16/09/596171609.db2.gz UFIVFFPSOJWRHQ-ZYSHUDEJSA-N 2 1 345.487 1.945 20 0 EDADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@H]1C[NH+](C)CCO1 ZINC000857158588 596171611 /nfs/dbraw/zinc/17/16/11/596171611.db2.gz UFIVFFPSOJWRHQ-ZYSHUDEJSA-N 2 1 345.487 1.945 20 0 EDADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000857158588 596171614 /nfs/dbraw/zinc/17/16/14/596171614.db2.gz UFIVFFPSOJWRHQ-ZYSHUDEJSA-N 2 1 345.487 1.945 20 0 EDADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000857158588 596171617 /nfs/dbraw/zinc/17/16/17/596171617.db2.gz UFIVFFPSOJWRHQ-ZYSHUDEJSA-N 2 1 345.487 1.945 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000862215268 596277475 /nfs/dbraw/zinc/27/74/75/596277475.db2.gz KCMGLRMSFUJCDX-UHFFFAOYSA-N 2 1 325.497 1.822 20 0 EDADMP COC(=O)/C=C\c1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000866665855 596284962 /nfs/dbraw/zinc/28/49/62/596284962.db2.gz JCCMDVYUCXQFEW-AZTQUHGTSA-N 2 1 330.428 1.935 20 0 EDADMP COC(=O)/C=C\c1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000866665855 596284964 /nfs/dbraw/zinc/28/49/64/596284964.db2.gz JCCMDVYUCXQFEW-AZTQUHGTSA-N 2 1 330.428 1.935 20 0 EDADMP CNC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000866685397 596294098 /nfs/dbraw/zinc/29/40/98/596294098.db2.gz KWBLRSOBSLVILD-CVEARBPZSA-N 2 1 334.464 1.521 20 0 EDADMP CN1CCN(C2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)CC1 ZINC000866703156 596300315 /nfs/dbraw/zinc/30/03/15/596300315.db2.gz KKYSVDQYZBQTPL-UHFFFAOYSA-N 2 1 328.504 1.544 20 0 EDADMP CCc1cccc(OCC[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866706324 596302181 /nfs/dbraw/zinc/30/21/81/596302181.db2.gz BBMPZPRWSHWHGE-JQHSSLGASA-N 2 1 345.443 1.495 20 0 EDADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866709885 596304401 /nfs/dbraw/zinc/30/44/01/596304401.db2.gz MOVULMPIOMUKOM-JQHSSLGASA-N 2 1 345.443 1.841 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870907496 596398835 /nfs/dbraw/zinc/39/88/35/596398835.db2.gz WSNAKSDRRNSTNM-FZMZJTMJSA-N 2 1 334.489 1.823 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870919803 596404948 /nfs/dbraw/zinc/40/49/48/596404948.db2.gz HZNWMFHDVVHIJE-RISCZKNCSA-N 2 1 340.265 1.907 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H](C)C1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000870987098 596431310 /nfs/dbraw/zinc/43/13/10/596431310.db2.gz SXKYRZRHODUDHA-QSJFSLAZSA-N 2 1 325.497 1.625 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H](C)C1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000870987098 596431314 /nfs/dbraw/zinc/43/13/14/596431314.db2.gz SXKYRZRHODUDHA-QSJFSLAZSA-N 2 1 325.497 1.625 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC[NH+](C)C(C)(C)CC2)cn1 ZINC000871158602 596483362 /nfs/dbraw/zinc/48/33/62/596483362.db2.gz GIYOTMJQIWVAQU-IAGOWNOFSA-N 2 1 347.507 1.398 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@H]2C(=O)N2CC[N@H+](C)C(C)(C)CC2)cn1 ZINC000871158602 596483364 /nfs/dbraw/zinc/48/33/64/596483364.db2.gz GIYOTMJQIWVAQU-IAGOWNOFSA-N 2 1 347.507 1.398 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@H]2C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cn1 ZINC000871158602 596483367 /nfs/dbraw/zinc/48/33/67/596483367.db2.gz GIYOTMJQIWVAQU-IAGOWNOFSA-N 2 1 347.507 1.398 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000871283906 596522851 /nfs/dbraw/zinc/52/28/51/596522851.db2.gz NRXWAOXNKUHTQQ-RBUKOAKNSA-N 2 1 347.503 1.898 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000871283906 596522852 /nfs/dbraw/zinc/52/28/52/596522852.db2.gz NRXWAOXNKUHTQQ-RBUKOAKNSA-N 2 1 347.503 1.898 20 0 EDADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cnc3c(cnn3C)c2)CC1 ZINC000865480328 596586940 /nfs/dbraw/zinc/58/69/40/596586940.db2.gz AGNUKNGFUDBXSD-UHFFFAOYSA-N 2 1 331.464 1.947 20 0 EDADMP O=C([C@@H]1CCCN(CC(F)F)C1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000867857939 596588293 /nfs/dbraw/zinc/58/82/93/596588293.db2.gz PPUGBQGSPJFNSR-RDBSUJKOSA-N 2 1 333.398 1.608 20 0 EDADMP C[C@@H](NCC1([NH3+])CCOCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000863540981 596613095 /nfs/dbraw/zinc/61/30/95/596613095.db2.gz IJLDCXVJLTXECY-SJLPKXTDSA-N 2 1 333.476 1.373 20 0 EDADMP C[C@@H](NCC1([NH3+])CCOCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000863540981 596613098 /nfs/dbraw/zinc/61/30/98/596613098.db2.gz IJLDCXVJLTXECY-SJLPKXTDSA-N 2 1 333.476 1.373 20 0 EDADMP COc1cccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1F ZINC000863643574 596641195 /nfs/dbraw/zinc/64/11/95/596641195.db2.gz OOZISYXSAQOPAE-ZBFHGGJFSA-N 2 1 349.406 1.591 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000863642526 596641592 /nfs/dbraw/zinc/64/15/92/596641592.db2.gz RBDJPZFPPJSNFD-LSDHHAIUSA-N 2 1 348.472 1.778 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000868181199 596714008 /nfs/dbraw/zinc/71/40/08/596714008.db2.gz FEWODHLWKSODHX-FHLIZLRMSA-N 2 1 344.459 1.687 20 0 EDADMP C[NH+](C)C1(C)CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000868215706 596728307 /nfs/dbraw/zinc/72/83/07/596728307.db2.gz FNVRHZFMZZLXEU-GARNVTTQSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868236658 596740559 /nfs/dbraw/zinc/74/05/59/596740559.db2.gz MQSVGWUTYPLMCW-SJWGOKEGSA-N 2 1 344.459 1.238 20 0 EDADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1)C1CCCC1 ZINC000872155908 596815751 /nfs/dbraw/zinc/81/57/51/596815751.db2.gz ALDYLNSLRFCFCN-SJLPKXTDSA-N 2 1 337.508 1.855 20 0 EDADMP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+])CC1 ZINC000872158595 596816651 /nfs/dbraw/zinc/81/66/51/596816651.db2.gz VZIXTBOLGHRGTM-OAHLLOKOSA-N 2 1 342.484 1.127 20 0 EDADMP COc1ccccc1/C=C/C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255967 596856640 /nfs/dbraw/zinc/85/66/40/596856640.db2.gz PILQBFLCFYKNBL-ISANWLASSA-N 2 1 343.427 1.575 20 0 EDADMP COc1cc(C)c(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)n1 ZINC000872256900 596857123 /nfs/dbraw/zinc/85/71/23/596857123.db2.gz FHVPRPAWWXIURZ-BMFZPTHFSA-N 2 1 346.431 1.074 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCN(C)c3ncccc3C2)CC1 ZINC000872320019 596880323 /nfs/dbraw/zinc/88/03/23/596880323.db2.gz WZISSNNUOFJMMY-UHFFFAOYSA-N 2 1 331.508 1.750 20 0 EDADMP COCCC1(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[NH2+]CC1 ZINC000874431395 597075861 /nfs/dbraw/zinc/07/58/61/597075861.db2.gz MHYVPSOZRAZTCS-AWEZNQCLSA-N 2 1 338.452 1.340 20 0 EDADMP CC[C@H]1COCCN1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000874702792 597146815 /nfs/dbraw/zinc/14/68/15/597146815.db2.gz KDQXUBYOJVSAJQ-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[C@H]1COCCN1CCNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000874702792 597146816 /nfs/dbraw/zinc/14/68/16/597146816.db2.gz KDQXUBYOJVSAJQ-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4C)ccn2)CC1 ZINC000874840774 597193699 /nfs/dbraw/zinc/19/36/99/597193699.db2.gz ROCKXGLWLLCVLG-IAGOWNOFSA-N 2 1 343.475 1.142 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4C)ccn2)CC1 ZINC000874840774 597193701 /nfs/dbraw/zinc/19/37/01/597193701.db2.gz ROCKXGLWLLCVLG-IAGOWNOFSA-N 2 1 343.475 1.142 20 0 EDADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873242666 597237116 /nfs/dbraw/zinc/23/71/16/597237116.db2.gz DHTFENNGNXOCNY-CYBMUJFWSA-N 2 1 325.420 1.793 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000875005111 597240476 /nfs/dbraw/zinc/24/04/76/597240476.db2.gz IQXWIGPJWBBLKB-QRVBRYPASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000875005111 597240482 /nfs/dbraw/zinc/24/04/82/597240482.db2.gz IQXWIGPJWBBLKB-QRVBRYPASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000875005111 597240486 /nfs/dbraw/zinc/24/04/86/597240486.db2.gz IQXWIGPJWBBLKB-QRVBRYPASA-N 2 1 342.487 1.997 20 0 EDADMP CC(C)(CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000876722887 597305526 /nfs/dbraw/zinc/30/55/26/597305526.db2.gz HNYGGYLKGWANCM-DOTOQJQBSA-N 2 1 333.451 1.887 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCn1cc[nH+]c1C(C)C ZINC000876731865 597311272 /nfs/dbraw/zinc/31/12/72/597311272.db2.gz VVETWYHFBJPNSM-OAHLLOKOSA-N 2 1 344.463 1.866 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000876755211 597323997 /nfs/dbraw/zinc/32/39/97/597323997.db2.gz SYVFRGDJVGBQSC-HOTGVXAUSA-N 2 1 331.464 1.425 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)CC2)oc1C ZINC000876759214 597325866 /nfs/dbraw/zinc/32/58/66/597325866.db2.gz OJXUIQYSFQCXPM-JKSUJKDBSA-N 2 1 348.491 1.993 20 0 EDADMP C[C@H](NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)C1([NH+]2CCOCC2)CCCC1 ZINC000876773519 597333880 /nfs/dbraw/zinc/33/38/80/597333880.db2.gz TYTIHEZOZQTCJC-KKUMJFAQSA-N 2 1 327.444 1.084 20 0 EDADMP O=C1CNC(=O)N1CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000876876718 597365409 /nfs/dbraw/zinc/36/54/09/597365409.db2.gz UDZRAQCQOWMMOE-NVXWUHKLSA-N 2 1 342.443 1.496 20 0 EDADMP O=C1CNC(=O)N1CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000876876718 597365414 /nfs/dbraw/zinc/36/54/14/597365414.db2.gz UDZRAQCQOWMMOE-NVXWUHKLSA-N 2 1 342.443 1.496 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000877108005 597434595 /nfs/dbraw/zinc/43/45/95/597434595.db2.gz NVSCSTVSCVVHGR-WDYCEAGBSA-N 2 1 331.460 1.331 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000877229372 597469175 /nfs/dbraw/zinc/46/91/75/597469175.db2.gz LHCWRIKDVZYNLD-TVFCKZIOSA-N 2 1 329.444 1.062 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000877229372 597469176 /nfs/dbraw/zinc/46/91/76/597469176.db2.gz LHCWRIKDVZYNLD-TVFCKZIOSA-N 2 1 329.444 1.062 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285117 597486580 /nfs/dbraw/zinc/48/65/80/597486580.db2.gz XZAIQXJJGLLFJQ-OALUTQOASA-N 2 1 342.487 1.157 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)C[C@@H]1C(F)(F)F ZINC000877354556 597499550 /nfs/dbraw/zinc/49/95/50/597499550.db2.gz HHUIITJGJKXZSE-INNHCVQGSA-N 2 1 337.292 1.560 20 0 EDADMP COc1cccc(C[C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C)CC2)c1 ZINC000877984319 597567999 /nfs/dbraw/zinc/56/79/99/597567999.db2.gz FYRSYQGVWGPSHA-SFHVURJKSA-N 2 1 345.487 1.913 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)CC1 ZINC000878297863 597593619 /nfs/dbraw/zinc/59/36/19/597593619.db2.gz BDHKUVWAGFMDAE-IBGZPJMESA-N 2 1 345.487 1.470 20 0 EDADMP Cc1cc(C)cc([C@@H](O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000881412758 597607232 /nfs/dbraw/zinc/60/72/32/597607232.db2.gz GLDLUHUESDZNJG-IBGZPJMESA-N 2 1 343.475 1.594 20 0 EDADMP CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]2C1=O ZINC000879535849 597623642 /nfs/dbraw/zinc/62/36/42/597623642.db2.gz SZVHCZCZOPRILX-HDICACEKSA-N 2 1 341.455 1.719 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580431 597642275 /nfs/dbraw/zinc/64/22/75/597642275.db2.gz HKJRERGXASDMOS-WBVHZDCISA-N 2 1 326.444 1.571 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580431 597642278 /nfs/dbraw/zinc/64/22/78/597642278.db2.gz HKJRERGXASDMOS-WBVHZDCISA-N 2 1 326.444 1.571 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580431 597642280 /nfs/dbraw/zinc/64/22/80/597642280.db2.gz HKJRERGXASDMOS-WBVHZDCISA-N 2 1 326.444 1.571 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580431 597642282 /nfs/dbraw/zinc/64/22/82/597642282.db2.gz HKJRERGXASDMOS-WBVHZDCISA-N 2 1 326.444 1.571 20 0 EDADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[N@@H+](C)CCOCCO)CC1 ZINC000883349945 597721814 /nfs/dbraw/zinc/72/18/14/597721814.db2.gz RITGNADVWWCPTK-MJGOQNOKSA-N 2 1 341.540 1.560 20 0 EDADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCN(C)CCOCCO)CC1 ZINC000883349945 597721817 /nfs/dbraw/zinc/72/18/17/597721817.db2.gz RITGNADVWWCPTK-MJGOQNOKSA-N 2 1 341.540 1.560 20 0 EDADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC[N@@H+](C)CCOCCO)CC1 ZINC000883349943 597721885 /nfs/dbraw/zinc/72/18/85/597721885.db2.gz RITGNADVWWCPTK-HKUYNNGSSA-N 2 1 341.540 1.560 20 0 EDADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCN(C)CCOCCO)CC1 ZINC000883349943 597721888 /nfs/dbraw/zinc/72/18/88/597721888.db2.gz RITGNADVWWCPTK-HKUYNNGSSA-N 2 1 341.540 1.560 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878826052 597725775 /nfs/dbraw/zinc/72/57/75/597725775.db2.gz PANKDFRIRNCLRC-RBSFLKMASA-N 2 1 343.512 1.969 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000878866718 597738916 /nfs/dbraw/zinc/73/89/16/597738916.db2.gz VOZDSMABBNHDCU-YJBOKZPZSA-N 2 1 341.496 1.632 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](CCCOC(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000883424062 597741837 /nfs/dbraw/zinc/74/18/37/597741837.db2.gz DRQKQPJJBFGLFQ-OLZOCXBDSA-N 2 1 337.386 1.493 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC[N@H+]1C ZINC000883456794 597755201 /nfs/dbraw/zinc/75/52/01/597755201.db2.gz JKEDWIPYLGXYMN-DJIMGWMZSA-N 2 1 338.496 1.412 20 0 EDADMP C[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccc(F)cn3)CC2)CC1 ZINC000879005971 597784083 /nfs/dbraw/zinc/78/40/83/597784083.db2.gz ZCYQRYMZPOBAPO-UHFFFAOYSA-N 2 1 334.439 1.611 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883585719 597814183 /nfs/dbraw/zinc/81/41/83/597814183.db2.gz WIZGRFKEVHEOPS-WMLDXEAASA-N 2 1 331.464 1.830 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2[C@H]1CCC[N@H+]2C)c1ccccc1 ZINC000880137176 597853730 /nfs/dbraw/zinc/85/37/30/597853730.db2.gz ZCZHNFIYNFXLKV-IPMKNSEASA-N 2 1 344.503 1.574 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000880250424 597882719 /nfs/dbraw/zinc/88/27/19/597882719.db2.gz JUXSBMHOIJDHOD-MJGOQNOKSA-N 2 1 335.492 1.304 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)COCc2ccco2)CCN1c1cc[nH+]cc1 ZINC000880262104 597886485 /nfs/dbraw/zinc/88/64/85/597886485.db2.gz TWLWJODATZAOHD-WBVHZDCISA-N 2 1 331.416 1.763 20 0 EDADMP C[C@@H](C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2)[NH+](C)C ZINC000882592217 598000511 /nfs/dbraw/zinc/00/05/11/598000511.db2.gz ACXXDKLFILHMCC-UWVAXJGDSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H](C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2)[NH+](C)C ZINC000882592217 598000514 /nfs/dbraw/zinc/00/05/14/598000514.db2.gz ACXXDKLFILHMCC-UWVAXJGDSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000884188343 598019991 /nfs/dbraw/zinc/01/99/91/598019991.db2.gz FPFLHUSILKGDOX-JKSUJKDBSA-N 2 1 345.491 1.341 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)C1 ZINC000884213463 598031478 /nfs/dbraw/zinc/03/14/78/598031478.db2.gz BWVDVIHBZXSOEC-BXUZGUMPSA-N 2 1 345.365 1.542 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)C1 ZINC000884213463 598031482 /nfs/dbraw/zinc/03/14/82/598031482.db2.gz BWVDVIHBZXSOEC-BXUZGUMPSA-N 2 1 345.365 1.542 20 0 EDADMP CN(C(=O)[C@H]([NH3+])Cc1cc2ccccc2o1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000884213208 598031709 /nfs/dbraw/zinc/03/17/09/598031709.db2.gz WAQVBEWCGNEBQU-DOTOQJQBSA-N 2 1 327.428 1.998 20 0 EDADMP C[C@H]1CN(c2nc(N3CCOCC3)cc[nH+]2)CCN1c1cc[nH+]cc1 ZINC000882821330 598070461 /nfs/dbraw/zinc/07/04/61/598070461.db2.gz RSXKHDUARRVWRU-HNNXBMFYSA-N 2 1 340.431 1.423 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)CCCO1 ZINC000884342105 598075708 /nfs/dbraw/zinc/07/57/08/598075708.db2.gz QBJSXPGMLMKJGZ-GXFFZTMASA-N 2 1 331.338 1.281 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881376057 598135871 /nfs/dbraw/zinc/13/58/71/598135871.db2.gz WKXSWULIPULNRK-SFHVURJKSA-N 2 1 335.496 1.806 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881376057 598135873 /nfs/dbraw/zinc/13/58/73/598135873.db2.gz WKXSWULIPULNRK-SFHVURJKSA-N 2 1 335.496 1.806 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1cccnc1 ZINC000914160681 695172377 /nfs/dbraw/zinc/17/23/77/695172377.db2.gz ISEKGDJWPNETKN-QAPCUYQASA-N 2 1 345.491 1.858 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[N@H+]1C ZINC000914191665 695267367 /nfs/dbraw/zinc/26/73/67/695267367.db2.gz BVGYNWGEHIRWGO-HUUCEWRRSA-N 2 1 340.537 1.740 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000914205651 695276595 /nfs/dbraw/zinc/27/65/95/695276595.db2.gz WFDVYJPXWCGOTQ-CVEARBPZSA-N 2 1 329.510 1.076 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000914205651 695276598 /nfs/dbraw/zinc/27/65/98/695276598.db2.gz WFDVYJPXWCGOTQ-CVEARBPZSA-N 2 1 329.510 1.076 20 0 EDADMP CC[C@H](CNC(=S)NCC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000914704094 695627537 /nfs/dbraw/zinc/62/75/37/695627537.db2.gz OBWXQOQSTBKDPU-QGZVFWFLSA-N 2 1 334.533 1.849 20 0 EDADMP C[C@H]1[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)CCC[N@H+]1CCCO ZINC000994164071 696551579 /nfs/dbraw/zinc/55/15/79/696551579.db2.gz WIAUMKHZOQWBAU-GOEBONIOSA-N 2 1 343.431 1.232 20 0 EDADMP Cc1nsc(C)c1CN1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001015702427 696562562 /nfs/dbraw/zinc/56/25/62/696562562.db2.gz NOOFRPBWHLXWIL-WFASDCNBSA-N 2 1 336.505 1.935 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015702427 696562565 /nfs/dbraw/zinc/56/25/65/696562565.db2.gz NOOFRPBWHLXWIL-WFASDCNBSA-N 2 1 336.505 1.935 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001015702427 696562567 /nfs/dbraw/zinc/56/25/67/696562567.db2.gz NOOFRPBWHLXWIL-WFASDCNBSA-N 2 1 336.505 1.935 20 0 EDADMP Cc1nsc(C)c1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015702427 696562572 /nfs/dbraw/zinc/56/25/72/696562572.db2.gz NOOFRPBWHLXWIL-WFASDCNBSA-N 2 1 336.505 1.935 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CCCO ZINC000948065940 697057068 /nfs/dbraw/zinc/05/70/68/697057068.db2.gz LDSIRPUBSWRXLK-RDJZCZTQSA-N 2 1 333.476 1.713 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)NC1C[NH+](CCC2CCOCC2)C1 ZINC001031437767 697107480 /nfs/dbraw/zinc/10/74/80/697107480.db2.gz LHYIEBXQGQMMDM-UHFFFAOYSA-N 2 1 345.487 1.979 20 0 EDADMP CCc1ccccc1CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031584310 697279578 /nfs/dbraw/zinc/27/95/78/697279578.db2.gz BLFVGJIVJAZCLB-LJQANCHMSA-N 2 1 329.488 1.934 20 0 EDADMP CCc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031595583 697295003 /nfs/dbraw/zinc/29/50/03/697295003.db2.gz ZGJVLKYJQULWBU-GOSISDBHSA-N 2 1 331.460 1.128 20 0 EDADMP CCc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031595583 697295005 /nfs/dbraw/zinc/29/50/05/697295005.db2.gz ZGJVLKYJQULWBU-GOSISDBHSA-N 2 1 331.460 1.128 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1C ZINC001031596477 697296948 /nfs/dbraw/zinc/29/69/48/697296948.db2.gz LVBNZVMGRNGKFA-GOSISDBHSA-N 2 1 331.460 1.182 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1C ZINC001031596477 697296949 /nfs/dbraw/zinc/29/69/49/697296949.db2.gz LVBNZVMGRNGKFA-GOSISDBHSA-N 2 1 331.460 1.182 20 0 EDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000925477357 697394090 /nfs/dbraw/zinc/39/40/90/697394090.db2.gz JGFVLPZCPYQURU-PWSUYJOCSA-N 2 1 343.415 1.278 20 0 EDADMP C[NH+]1CCC(NC(=S)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000920307973 697419066 /nfs/dbraw/zinc/41/90/66/697419066.db2.gz TZOCYWSXPQXLRP-KRWDZBQOSA-N 2 1 332.517 1.944 20 0 EDADMP C[NH+]1CCC(NC(=S)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000920307973 697419068 /nfs/dbraw/zinc/41/90/68/697419068.db2.gz TZOCYWSXPQXLRP-KRWDZBQOSA-N 2 1 332.517 1.944 20 0 EDADMP O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001031672459 697477002 /nfs/dbraw/zinc/47/70/02/697477002.db2.gz HAWRLZXLSKBORC-WMZOPIPTSA-N 2 1 349.519 1.726 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C[C@@H](O)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000921231685 697535143 /nfs/dbraw/zinc/53/51/43/697535143.db2.gz BDJDHPXRIORZFU-MHORFTMASA-N 2 1 325.497 1.017 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001031729625 698055259 /nfs/dbraw/zinc/05/52/59/698055259.db2.gz RDPYALYKAZHXQQ-WMZOPIPTSA-N 2 1 337.508 1.439 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC000940110023 700223236 /nfs/dbraw/zinc/22/32/36/700223236.db2.gz RVCFCQXOLFVIOB-OAHLLOKOSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC000940110023 700223237 /nfs/dbraw/zinc/22/32/37/700223237.db2.gz RVCFCQXOLFVIOB-OAHLLOKOSA-N 2 1 349.479 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](CCC2CC2)CC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943516043 698430053 /nfs/dbraw/zinc/43/00/53/698430053.db2.gz KEAHXBJJBPJXJT-CRAIPNDOSA-N 2 1 347.507 1.685 20 0 EDADMP C[C@H]1C[N@@H+](CC2CCC2)CC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943519329 698435106 /nfs/dbraw/zinc/43/51/06/698435106.db2.gz WOFYCWLIAXKENF-MAUKXSAKSA-N 2 1 347.507 1.685 20 0 EDADMP CCc1nocc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000995038555 700227085 /nfs/dbraw/zinc/22/70/85/700227085.db2.gz QJHFPWSYUWIAOA-ZBFHGGJFSA-N 2 1 345.447 1.817 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccnn3C)C[C@@H]2C)CC1 ZINC000943756432 698831149 /nfs/dbraw/zinc/83/11/49/698831149.db2.gz PSVIMVTWEKUAPQ-WMZOPIPTSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000943772101 698877810 /nfs/dbraw/zinc/87/78/10/698877810.db2.gz QETYKOZAJMOUHU-YOEHRIQHSA-N 2 1 343.431 1.090 20 0 EDADMP C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000943772101 698877815 /nfs/dbraw/zinc/87/78/15/698877815.db2.gz QETYKOZAJMOUHU-YOEHRIQHSA-N 2 1 343.431 1.090 20 0 EDADMP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001031766560 699063950 /nfs/dbraw/zinc/06/39/50/699063950.db2.gz KZDDELKABHPMLC-WMZOPIPTSA-N 2 1 335.492 1.620 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939137836 699225452 /nfs/dbraw/zinc/22/54/52/699225452.db2.gz OCLXLMIHICCHJA-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCN(C2C[NH+](C(C)C)C2)CC1 ZINC000941590441 701585610 /nfs/dbraw/zinc/58/56/10/701585610.db2.gz PTSWTCDXLJJGPC-UHFFFAOYSA-N 2 1 333.480 1.243 20 0 EDADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000939235465 699403322 /nfs/dbraw/zinc/40/33/22/699403322.db2.gz LCODKCGOZINGQX-XJKSGUPXSA-N 2 1 345.447 1.940 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC000939256984 699433834 /nfs/dbraw/zinc/43/38/34/699433834.db2.gz HSMOBOOWUNOOHF-PBHICJAKSA-N 2 1 348.491 1.905 20 0 EDADMP Cc1ncsc1CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000939752978 699902174 /nfs/dbraw/zinc/90/21/74/699902174.db2.gz BUMWWENKTSCSOG-IUODEOHRSA-N 2 1 347.488 1.636 20 0 EDADMP C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1[NH2+]Cc1cnon1 ZINC000939806604 699955366 /nfs/dbraw/zinc/95/53/66/699955366.db2.gz KSGDWOOKEPESHH-SUMWQHHRSA-N 2 1 343.431 1.382 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)n1 ZINC000939811068 699959210 /nfs/dbraw/zinc/95/92/10/699959210.db2.gz QOWUMIRBZXRNTD-DOTOQJQBSA-N 2 1 345.491 1.598 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1)C1CCC1 ZINC000940153862 700283776 /nfs/dbraw/zinc/28/37/76/700283776.db2.gz BXFAEQBDYTZRNQ-UHFFFAOYSA-N 2 1 337.493 1.493 20 0 EDADMP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000940179269 700313191 /nfs/dbraw/zinc/31/31/91/700313191.db2.gz SEUUDDCDKCEFGY-MRXNPFEDSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)ncn1 ZINC000940179478 700313403 /nfs/dbraw/zinc/31/34/03/700313403.db2.gz VOPVKCJINDAFIX-KRWDZBQOSA-N 2 1 345.491 1.740 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940328052 700505851 /nfs/dbraw/zinc/50/58/51/700505851.db2.gz DTDQNCGAEJDETN-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940329478 700508827 /nfs/dbraw/zinc/50/88/27/700508827.db2.gz UESMSKCISGSYOJ-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940426350 700620136 /nfs/dbraw/zinc/62/01/36/700620136.db2.gz RBXBWKNLZWTXEY-OAHLLOKOSA-N 2 1 333.480 1.233 20 0 EDADMP COc1cccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940457836 700661420 /nfs/dbraw/zinc/66/14/20/700661420.db2.gz XCRBBVAUIUTSFE-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000940461483 700664610 /nfs/dbraw/zinc/66/46/10/700664610.db2.gz CSNONPYDTYLAEJ-RDJZCZTQSA-N 2 1 348.491 1.977 20 0 EDADMP COc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000940461703 700664805 /nfs/dbraw/zinc/66/48/05/700664805.db2.gz IWVMEOKJYHEMOO-ZDUSSCGKSA-N 2 1 336.436 1.106 20 0 EDADMP Cc1ncsc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940461954 700665589 /nfs/dbraw/zinc/66/55/89/700665589.db2.gz SREBINQYGCIUEL-CQSZACIVSA-N 2 1 336.505 1.874 20 0 EDADMP CCn1nc(C)c(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940461958 700665689 /nfs/dbraw/zinc/66/56/89/700665689.db2.gz SYABBPIABZMBFH-HNNXBMFYSA-N 2 1 348.495 1.029 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCCO)CC2(C)C)CC[N@H+]1C ZINC000940756541 700892075 /nfs/dbraw/zinc/89/20/75/700892075.db2.gz BAILJSRZKODGLI-ARFHVFGLSA-N 2 1 325.497 1.316 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CCCO)CC2(C)C)CC[NH+]1C ZINC000940756541 700892076 /nfs/dbraw/zinc/89/20/76/700892076.db2.gz BAILJSRZKODGLI-ARFHVFGLSA-N 2 1 325.497 1.316 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCO)CC2(C)C)CC[NH+]1C ZINC000940756541 700892077 /nfs/dbraw/zinc/89/20/77/700892077.db2.gz BAILJSRZKODGLI-ARFHVFGLSA-N 2 1 325.497 1.316 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOC)CC1(C)C ZINC000940785070 700895712 /nfs/dbraw/zinc/89/57/12/700895712.db2.gz GXQDCVHTGZPBRY-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCOC)CC1(C)C ZINC000940785070 700895713 /nfs/dbraw/zinc/89/57/13/700895713.db2.gz GXQDCVHTGZPBRY-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCOC)CC1(C)C ZINC000940785070 700895714 /nfs/dbraw/zinc/89/57/14/700895714.db2.gz GXQDCVHTGZPBRY-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000940799972 700917089 /nfs/dbraw/zinc/91/70/89/700917089.db2.gz UNVDJXGXWRPNEF-DLBZAZTESA-N 2 1 339.524 1.827 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940799972 700917091 /nfs/dbraw/zinc/91/70/91/700917091.db2.gz UNVDJXGXWRPNEF-DLBZAZTESA-N 2 1 339.524 1.827 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940799972 700917093 /nfs/dbraw/zinc/91/70/93/700917093.db2.gz UNVDJXGXWRPNEF-DLBZAZTESA-N 2 1 339.524 1.827 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940835278 700933341 /nfs/dbraw/zinc/93/33/41/700933341.db2.gz BEVDRGNYIMTYRT-HOTGVXAUSA-N 2 1 337.508 1.460 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCO)CC1(C)C ZINC000940857762 700956273 /nfs/dbraw/zinc/95/62/73/700956273.db2.gz CRGDAZSUHOYVNI-SJORKVTESA-N 2 1 339.524 1.706 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940857762 700956274 /nfs/dbraw/zinc/95/62/74/700956274.db2.gz CRGDAZSUHOYVNI-SJORKVTESA-N 2 1 339.524 1.706 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940857762 700956276 /nfs/dbraw/zinc/95/62/76/700956276.db2.gz CRGDAZSUHOYVNI-SJORKVTESA-N 2 1 339.524 1.706 20 0 EDADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C)[NH+]1CCCC1 ZINC000940945252 701010550 /nfs/dbraw/zinc/01/05/50/701010550.db2.gz ZJWPFSQGWJWWSN-OAHLLOKOSA-N 2 1 325.497 1.460 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](CCn3cccn3)C2)C1 ZINC001031918196 701029867 /nfs/dbraw/zinc/02/98/67/701029867.db2.gz AHNWYQLONHSRPO-KRWDZBQOSA-N 2 1 333.480 1.053 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CN(Cc3cnc(C)nc3)C2)C1 ZINC001031919271 701043060 /nfs/dbraw/zinc/04/30/60/701043060.db2.gz QJKAIAYJDPYQON-SFHVURJKSA-N 2 1 345.491 1.455 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001031922368 701083263 /nfs/dbraw/zinc/08/32/63/701083263.db2.gz BGQGQFFIFWAWTP-KRWDZBQOSA-N 2 1 337.508 1.580 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)CC2(C)C)cc1 ZINC000941094057 701132396 /nfs/dbraw/zinc/13/23/96/701132396.db2.gz WOWIFMQYMRNYRN-KRWDZBQOSA-N 2 1 333.476 1.571 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)CC2(C)C)CC1 ZINC000941137700 701196920 /nfs/dbraw/zinc/19/69/20/701196920.db2.gz CLGRWEGBYWOBTF-KRWDZBQOSA-N 2 1 339.524 1.706 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941164919 701230862 /nfs/dbraw/zinc/23/08/62/701230862.db2.gz YVTBFVUGMKZHBF-SJORKVTESA-N 2 1 347.507 1.442 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941164919 701230864 /nfs/dbraw/zinc/23/08/64/701230864.db2.gz YVTBFVUGMKZHBF-SJORKVTESA-N 2 1 347.507 1.442 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941164919 701230866 /nfs/dbraw/zinc/23/08/66/701230866.db2.gz YVTBFVUGMKZHBF-SJORKVTESA-N 2 1 347.507 1.442 20 0 EDADMP C[C@H](c1ncccn1)N1CC[C@H](NC(=O)CN2CCCC2)C(C)(C)C1 ZINC000941215652 701401809 /nfs/dbraw/zinc/40/18/09/701401809.db2.gz ZLGVKKHVIQFZGR-CVEARBPZSA-N 2 1 345.491 1.850 20 0 EDADMP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408909 701521311 /nfs/dbraw/zinc/52/13/11/701521311.db2.gz YDNXVRKZJVXDMJ-QZTJIDSGSA-N 2 1 348.535 1.345 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001031976531 701966193 /nfs/dbraw/zinc/96/61/93/701966193.db2.gz OAJYPPFPUIZVFN-KDOFPFPSSA-N 2 1 340.471 1.914 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999190763 706632896 /nfs/dbraw/zinc/63/28/96/706632896.db2.gz TVANITFQMCFIDK-OWCLPIDISA-N 2 1 333.480 1.324 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2F)C1 ZINC001031977357 702019063 /nfs/dbraw/zinc/01/90/63/702019063.db2.gz YNJNHXVPLUPQQU-HOCLYGCPSA-N 2 1 349.450 1.450 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2F)C1 ZINC001031977357 702019070 /nfs/dbraw/zinc/01/90/70/702019070.db2.gz YNJNHXVPLUPQQU-HOCLYGCPSA-N 2 1 349.450 1.450 20 0 EDADMP COc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000999191379 706634107 /nfs/dbraw/zinc/63/41/07/706634107.db2.gz XYVCMJKHCUGHHZ-RVKKMQEKSA-N 2 1 346.475 1.511 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(CF)cc2)C1 ZINC001031977673 702030532 /nfs/dbraw/zinc/03/05/32/702030532.db2.gz FXQCBGYIEWTTOL-RDTXWAMCSA-N 2 1 333.451 1.902 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cc1F ZINC001031979066 702040702 /nfs/dbraw/zinc/04/07/02/702040702.db2.gz YDAJQAKMQAROFD-CJNGLKHVSA-N 2 1 349.450 1.580 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cc1F ZINC001031979066 702040710 /nfs/dbraw/zinc/04/07/10/702040710.db2.gz YDAJQAKMQAROFD-CJNGLKHVSA-N 2 1 349.450 1.580 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccns3)C(C)(C)C2)CC[N@H+]1C ZINC000995829243 702103062 /nfs/dbraw/zinc/10/30/62/702103062.db2.gz CRWYDXQMJXMZDV-BPLDGKMQSA-N 2 1 336.505 1.810 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCn3cccn3)C(C)(C)C2)CC[N@H+]1C ZINC000995830630 702105721 /nfs/dbraw/zinc/10/57/21/702105721.db2.gz HESZGZZIBCMBSA-OAGGEKHMSA-N 2 1 333.480 1.050 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)ncn1 ZINC000995832513 702109001 /nfs/dbraw/zinc/10/90/01/702109001.db2.gz NBOHSJIHABLOMJ-OIISXLGYSA-N 2 1 345.491 1.452 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cnc(C)s2)C1 ZINC001032206211 702132790 /nfs/dbraw/zinc/13/27/90/702132790.db2.gz UZQWCBUFGMEHOB-INIZCTEOSA-N 2 1 336.505 1.874 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cnc(C)s2)C1 ZINC001032206211 702132793 /nfs/dbraw/zinc/13/27/93/702132793.db2.gz UZQWCBUFGMEHOB-INIZCTEOSA-N 2 1 336.505 1.874 20 0 EDADMP CC(C)Oc1ccccc1CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032183022 702153873 /nfs/dbraw/zinc/15/38/73/702153873.db2.gz XSLZGMBSYLVLGV-GOSISDBHSA-N 2 1 345.487 1.974 20 0 EDADMP CC(C)Oc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032183022 702153879 /nfs/dbraw/zinc/15/38/79/702153879.db2.gz XSLZGMBSYLVLGV-GOSISDBHSA-N 2 1 345.487 1.974 20 0 EDADMP CC(C)Oc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032183022 702153884 /nfs/dbraw/zinc/15/38/84/702153884.db2.gz XSLZGMBSYLVLGV-GOSISDBHSA-N 2 1 345.487 1.974 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995894953 702197897 /nfs/dbraw/zinc/19/78/97/702197897.db2.gz LKIQPOLCVHHKPU-GJZGRUSLSA-N 2 1 335.452 1.045 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995886859 702223299 /nfs/dbraw/zinc/22/32/99/702223299.db2.gz ODLYIVHUGGOCAV-SJORKVTESA-N 2 1 347.507 1.621 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)C(C)(C)C1)C1CCC1 ZINC000995917589 702235624 /nfs/dbraw/zinc/23/56/24/702235624.db2.gz LJBCLSUUNPBFLC-NVXWUHKLSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995195174 702422158 /nfs/dbraw/zinc/42/21/58/702422158.db2.gz ISJICTHCYZWGNM-WMLDXEAASA-N 2 1 345.422 1.800 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944156690 702452648 /nfs/dbraw/zinc/45/26/48/702452648.db2.gz VORHLBDKSAJLKG-SUMWQHHRSA-N 2 1 346.475 1.714 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]C[C@H]2CCCCO2)C(C)(C)C1 ZINC000996062645 702472969 /nfs/dbraw/zinc/47/29/69/702472969.db2.gz XLLUPTUVHSIRNS-CVEARBPZSA-N 2 1 334.464 1.587 20 0 EDADMP CC1(C)CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cnon1 ZINC000996102773 702521361 /nfs/dbraw/zinc/52/13/61/702521361.db2.gz WABRYGVGSAWJCS-HZPDHXFCSA-N 2 1 347.463 1.271 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnoc2C)C1 ZINC000995205860 702645410 /nfs/dbraw/zinc/64/54/10/702645410.db2.gz CPVPAAVSDQQXNO-HOCLYGCPSA-N 2 1 331.420 1.563 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)n1 ZINC000996299930 702691117 /nfs/dbraw/zinc/69/11/17/702691117.db2.gz GWOYWJLZXACQFJ-WBVHZDCISA-N 2 1 347.507 1.714 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)C1 ZINC000996300408 702691715 /nfs/dbraw/zinc/69/17/15/702691715.db2.gz LUSAKVPMJZATSZ-CABCVRRESA-N 2 1 331.464 1.145 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)C1 ZINC000996300408 702691717 /nfs/dbraw/zinc/69/17/17/702691717.db2.gz LUSAKVPMJZATSZ-CABCVRRESA-N 2 1 331.464 1.145 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nncn2C)CC1 ZINC000996465126 702792502 /nfs/dbraw/zinc/79/25/02/702792502.db2.gz QMUHSGJQFIGOAP-GOEBONIOSA-N 2 1 348.495 1.330 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996476928 702808863 /nfs/dbraw/zinc/80/88/63/702808863.db2.gz JIJQZTZSNWQBCU-CZUORRHYSA-N 2 1 349.504 1.493 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996476928 702808866 /nfs/dbraw/zinc/80/88/66/702808866.db2.gz JIJQZTZSNWQBCU-CZUORRHYSA-N 2 1 349.504 1.493 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H](NCc3nccs3)C(C)(C)C2)C1 ZINC000996517737 702852998 /nfs/dbraw/zinc/85/29/98/702852998.db2.gz GSUIGHVDISEZMS-KBPBESRZSA-N 2 1 336.505 1.812 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]Cc3nccs3)C(C)(C)C2)C1 ZINC000996517737 702853001 /nfs/dbraw/zinc/85/30/01/702853001.db2.gz GSUIGHVDISEZMS-KBPBESRZSA-N 2 1 336.505 1.812 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]Cc3nccs3)C(C)(C)C2)C1 ZINC000996517737 702853003 /nfs/dbraw/zinc/85/30/03/702853003.db2.gz GSUIGHVDISEZMS-KBPBESRZSA-N 2 1 336.505 1.812 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCn3cccn3)CC2)CC[N@H+]1C ZINC000996601876 702908842 /nfs/dbraw/zinc/90/88/42/702908842.db2.gz AXGPGZSOZMWLEH-DLBZAZTESA-N 2 1 333.480 1.194 20 0 EDADMP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996606986 702910322 /nfs/dbraw/zinc/91/03/22/702910322.db2.gz BRTLSERMXWTTAK-WMLDXEAASA-N 2 1 348.491 1.824 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CCC2CCOCC2)C(C)(C)C1 ZINC000996608265 702911739 /nfs/dbraw/zinc/91/17/39/702911739.db2.gz CIZGPDGNVJYOFJ-KRWDZBQOSA-N 2 1 348.491 1.835 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996609932 702921081 /nfs/dbraw/zinc/92/10/81/702921081.db2.gz IUAJSZXXSYTKCQ-CABCVRRESA-N 2 1 333.480 1.181 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3)C(C)(C)C2)C1 ZINC000996649473 702951580 /nfs/dbraw/zinc/95/15/80/702951580.db2.gz UVRAQVLQZPEGJB-ROUUACIJSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3)C(C)(C)C2)C1 ZINC000996649473 702951583 /nfs/dbraw/zinc/95/15/83/702951583.db2.gz UVRAQVLQZPEGJB-ROUUACIJSA-N 2 1 345.487 1.734 20 0 EDADMP Cn1ncc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC2(C)C)n1 ZINC000996669852 702971309 /nfs/dbraw/zinc/97/13/09/702971309.db2.gz IKHZVWRSRBVZMS-MRXNPFEDSA-N 2 1 348.495 1.018 20 0 EDADMP CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1ncccn1 ZINC000996671872 702972940 /nfs/dbraw/zinc/97/29/40/702972940.db2.gz OWRHVMDRRXBWFQ-INIZCTEOSA-N 2 1 345.491 1.679 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996685914 702983499 /nfs/dbraw/zinc/98/34/99/702983499.db2.gz BKQRALXVNXBLHU-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC000996689963 702987004 /nfs/dbraw/zinc/98/70/04/702987004.db2.gz NQWTVXSAFOUFMT-BBRMVZONSA-N 2 1 349.479 1.894 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC000996689963 702987006 /nfs/dbraw/zinc/98/70/06/702987006.db2.gz NQWTVXSAFOUFMT-BBRMVZONSA-N 2 1 349.479 1.894 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000996691105 702988415 /nfs/dbraw/zinc/98/84/15/702988415.db2.gz SCYPXWZYAAZRNL-XJKSGUPXSA-N 2 1 348.495 1.629 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996691982 702988573 /nfs/dbraw/zinc/98/85/73/702988573.db2.gz UTBRODHHMBRYJB-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N(Cc1cccnc1)C[C@H]1CC[NH+](CCF)C1 ZINC000995257735 703017704 /nfs/dbraw/zinc/01/77/04/703017704.db2.gz LHWRERQCCIDQAN-ROUUACIJSA-N 2 1 348.466 1.796 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N(Cc1cccnc1)C[C@H]1CC[N@H+](CCF)C1 ZINC000995257735 703017706 /nfs/dbraw/zinc/01/77/06/703017706.db2.gz LHWRERQCCIDQAN-ROUUACIJSA-N 2 1 348.466 1.796 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N(Cc1cccnc1)C[C@H]1CC[N@@H+](CCF)C1 ZINC000995257735 703017708 /nfs/dbraw/zinc/01/77/08/703017708.db2.gz LHWRERQCCIDQAN-ROUUACIJSA-N 2 1 348.466 1.796 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000996723490 703018458 /nfs/dbraw/zinc/01/84/58/703018458.db2.gz NIAPONSAGQFNBF-SFHVURJKSA-N 2 1 345.491 1.394 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000996730298 703027347 /nfs/dbraw/zinc/02/73/47/703027347.db2.gz RGDQQTCMCAXULR-HNNXBMFYSA-N 2 1 349.479 1.587 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000996730298 703027350 /nfs/dbraw/zinc/02/73/50/703027350.db2.gz RGDQQTCMCAXULR-HNNXBMFYSA-N 2 1 349.479 1.587 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942529167 703029988 /nfs/dbraw/zinc/02/99/88/703029988.db2.gz GSJZEQYLRQSMOO-LPHOPBHVSA-N 2 1 347.503 1.877 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)no1 ZINC000996768574 703059925 /nfs/dbraw/zinc/05/99/25/703059925.db2.gz CVFMPOOLLNWEMC-CYBMUJFWSA-N 2 1 347.463 1.648 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)o1 ZINC000942597040 703111748 /nfs/dbraw/zinc/11/17/48/703111748.db2.gz IDWMNMCEAJLMOP-GUYCJALGSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)o1 ZINC000942597040 703111749 /nfs/dbraw/zinc/11/17/49/703111749.db2.gz IDWMNMCEAJLMOP-GUYCJALGSA-N 2 1 348.491 1.960 20 0 EDADMP C[C@H]1C[N@@H+](CCc2ccnn2C)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598144 703113394 /nfs/dbraw/zinc/11/33/94/703113394.db2.gz RXDBMBKMLXYXLP-YJBOKZPZSA-N 2 1 347.507 1.131 20 0 EDADMP CCc1nc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)no1 ZINC000996923235 703194094 /nfs/dbraw/zinc/19/40/94/703194094.db2.gz RSODYBSKUAXRRP-KBPBESRZSA-N 2 1 349.479 1.443 20 0 EDADMP CCc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)no1 ZINC000996923235 703194095 /nfs/dbraw/zinc/19/40/95/703194095.db2.gz RSODYBSKUAXRRP-KBPBESRZSA-N 2 1 349.479 1.443 20 0 EDADMP CCc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)no1 ZINC000996923235 703194096 /nfs/dbraw/zinc/19/40/96/703194096.db2.gz RSODYBSKUAXRRP-KBPBESRZSA-N 2 1 349.479 1.443 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000996928520 703195237 /nfs/dbraw/zinc/19/52/37/703195237.db2.gz LSCPAAMWPIHSJQ-LJQANCHMSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000996928520 703195239 /nfs/dbraw/zinc/19/52/39/703195239.db2.gz LSCPAAMWPIHSJQ-LJQANCHMSA-N 2 1 345.487 1.876 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC000996993184 703249752 /nfs/dbraw/zinc/24/97/52/703249752.db2.gz BJEHKSCWDNNTDQ-ZDUSSCGKSA-N 2 1 335.452 1.197 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC000996993184 703249753 /nfs/dbraw/zinc/24/97/53/703249753.db2.gz BJEHKSCWDNNTDQ-ZDUSSCGKSA-N 2 1 335.452 1.197 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)cn1 ZINC000996997743 703254533 /nfs/dbraw/zinc/25/45/33/703254533.db2.gz GFDCBIQMDOMCBH-JKSUJKDBSA-N 2 1 345.491 1.911 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000996998541 703255492 /nfs/dbraw/zinc/25/54/92/703255492.db2.gz KLPKXPUUTMSTBK-ZIAGYGMSSA-N 2 1 349.479 1.758 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000996998541 703255495 /nfs/dbraw/zinc/25/54/95/703255495.db2.gz KLPKXPUUTMSTBK-ZIAGYGMSSA-N 2 1 349.479 1.758 20 0 EDADMP C[C@@H]1CC[C@H](C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)O1 ZINC000996999409 703256297 /nfs/dbraw/zinc/25/62/97/703256297.db2.gz OELYPGIIUCGDNJ-NVXWUHKLSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997006520 703263850 /nfs/dbraw/zinc/26/38/50/703263850.db2.gz GWGSUALXGGNZHH-RDTXWAMCSA-N 2 1 347.507 1.278 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000997006902 703264108 /nfs/dbraw/zinc/26/41/08/703264108.db2.gz HFRGCZAHFKIPBZ-CXAGYDPISA-N 2 1 334.439 1.499 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)ncn1 ZINC000997007298 703264736 /nfs/dbraw/zinc/26/47/36/703264736.db2.gz PQLILFIZGCDJIF-CQSZACIVSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000997008497 703266539 /nfs/dbraw/zinc/26/65/39/703266539.db2.gz MUUTXUQHPUFTFN-MAUKXSAKSA-N 2 1 330.476 1.668 20 0 EDADMP Cc1ncccc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000997008604 703266870 /nfs/dbraw/zinc/26/68/70/703266870.db2.gz VSYYKARYHVFHIL-HNNXBMFYSA-N 2 1 330.476 1.812 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000997055345 703307648 /nfs/dbraw/zinc/30/76/48/703307648.db2.gz VVJWKLACKQLGQZ-HNNXBMFYSA-N 2 1 334.464 1.624 20 0 EDADMP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997073941 703314094 /nfs/dbraw/zinc/31/40/94/703314094.db2.gz ZWWFIRQJJARYMY-NVXWUHKLSA-N 2 1 325.497 1.722 20 0 EDADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997086313 703331857 /nfs/dbraw/zinc/33/18/57/703331857.db2.gz XWCASHHPDXOXEV-ZWKOTPCHSA-N 2 1 345.491 1.481 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)n1 ZINC000997114364 703366857 /nfs/dbraw/zinc/36/68/57/703366857.db2.gz AGRNWULXOXHUNS-UHFFFAOYSA-N 2 1 335.452 1.191 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997122291 703380584 /nfs/dbraw/zinc/38/05/84/703380584.db2.gz XGZGUXDXXHOWSX-NVXWUHKLSA-N 2 1 325.497 1.460 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CCOC ZINC000925339167 703407804 /nfs/dbraw/zinc/40/78/04/703407804.db2.gz WWMXWDGCZOSADM-OAGGEKHMSA-N 2 1 326.485 1.221 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CCOC ZINC000925339167 703407806 /nfs/dbraw/zinc/40/78/06/703407806.db2.gz WWMXWDGCZOSADM-OAGGEKHMSA-N 2 1 326.485 1.221 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CCOC ZINC000925339167 703407809 /nfs/dbraw/zinc/40/78/09/703407809.db2.gz WWMXWDGCZOSADM-OAGGEKHMSA-N 2 1 326.485 1.221 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997184047 703469791 /nfs/dbraw/zinc/46/97/91/703469791.db2.gz LXJUBPPJMXCPGM-CABCVRRESA-N 2 1 334.464 1.966 20 0 EDADMP CC(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997227950 703503836 /nfs/dbraw/zinc/50/38/36/703503836.db2.gz BSZAUUMGRQOSMM-LOPSVYGOSA-N 2 1 349.519 1.722 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC000997300427 703544046 /nfs/dbraw/zinc/54/40/46/703544046.db2.gz UWXTUVQCZAKSTL-KGLIPLIRSA-N 2 1 329.435 1.954 20 0 EDADMP COCc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000997297286 703555888 /nfs/dbraw/zinc/55/58/88/703555888.db2.gz FCLILQJDCKHABX-GOSISDBHSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000997361538 703595466 /nfs/dbraw/zinc/59/54/66/703595466.db2.gz VZWYTHVUOIENMS-CHWSQXEVSA-N 2 1 337.493 1.492 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC[C@H]1CCOC1)C1CCC1 ZINC001032448880 703624730 /nfs/dbraw/zinc/62/47/30/703624730.db2.gz YIHQESCXWTUPCH-SZMVWBNQSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@H]1CCOC1)C1CCC1 ZINC001032448880 703624731 /nfs/dbraw/zinc/62/47/31/703624731.db2.gz YIHQESCXWTUPCH-SZMVWBNQSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@H]1CCOC1)C1CCC1 ZINC001032448880 703624732 /nfs/dbraw/zinc/62/47/32/703624732.db2.gz YIHQESCXWTUPCH-SZMVWBNQSA-N 2 1 335.492 1.573 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(F)(F)C1 ZINC001032478358 703708583 /nfs/dbraw/zinc/70/85/83/703708583.db2.gz CFYJCJAGIMQBGX-KKUMJFAQSA-N 2 1 327.419 1.801 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(F)(F)C1 ZINC001032478358 703708585 /nfs/dbraw/zinc/70/85/85/703708585.db2.gz CFYJCJAGIMQBGX-KKUMJFAQSA-N 2 1 327.419 1.801 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(F)(F)C1 ZINC001032478358 703708587 /nfs/dbraw/zinc/70/85/87/703708587.db2.gz CFYJCJAGIMQBGX-KKUMJFAQSA-N 2 1 327.419 1.801 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1C ZINC000997517243 703767276 /nfs/dbraw/zinc/76/72/76/703767276.db2.gz XISDONSRJKOTIU-YJBOKZPZSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)nn1C ZINC000997517243 703767277 /nfs/dbraw/zinc/76/72/77/703767277.db2.gz XISDONSRJKOTIU-YJBOKZPZSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000997613589 703912992 /nfs/dbraw/zinc/91/29/92/703912992.db2.gz OQDBBPLTDWCWSM-IUODEOHRSA-N 2 1 334.468 1.097 20 0 EDADMP CCn1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000997613733 703913347 /nfs/dbraw/zinc/91/33/47/703913347.db2.gz POQZUVMEHNJXCJ-QGZVFWFLSA-N 2 1 348.495 1.029 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cn1 ZINC001004205182 703928774 /nfs/dbraw/zinc/92/87/74/703928774.db2.gz AQNUOFCNPXHHSD-HOTGVXAUSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1ccccc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997645042 703953998 /nfs/dbraw/zinc/95/39/98/703953998.db2.gz LFGJWIINXIWEDZ-LJQANCHMSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997645042 703954001 /nfs/dbraw/zinc/95/40/01/703954001.db2.gz LFGJWIINXIWEDZ-LJQANCHMSA-N 2 1 345.487 1.654 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995550503 703954224 /nfs/dbraw/zinc/95/42/24/703954224.db2.gz JQHBZKKYJUPVQA-JKSUJKDBSA-N 2 1 348.495 1.027 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995550503 703954229 /nfs/dbraw/zinc/95/42/29/703954229.db2.gz JQHBZKKYJUPVQA-JKSUJKDBSA-N 2 1 348.495 1.027 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCCCO1 ZINC001032522319 703969438 /nfs/dbraw/zinc/96/94/38/703969438.db2.gz YOLATKWUHRNKPE-ULQDDVLXSA-N 2 1 332.448 1.436 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCCCO1 ZINC001032522319 703969441 /nfs/dbraw/zinc/96/94/41/703969441.db2.gz YOLATKWUHRNKPE-ULQDDVLXSA-N 2 1 332.448 1.436 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033080376 704146406 /nfs/dbraw/zinc/14/64/06/704146406.db2.gz HBOFKIQRBLSHBM-ROUUACIJSA-N 2 1 335.492 1.288 20 0 EDADMP C[C@@H](F)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084055 704153068 /nfs/dbraw/zinc/15/30/68/704153068.db2.gz DTZRZDKNCJNXLC-HUUCEWRRSA-N 2 1 339.459 1.339 20 0 EDADMP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033085019 704156084 /nfs/dbraw/zinc/15/60/84/704156084.db2.gz NOCDYZDUSYEONH-INIZCTEOSA-N 2 1 333.480 1.391 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCOC2)CC1 ZINC001032711210 706805008 /nfs/dbraw/zinc/80/50/08/706805008.db2.gz LZOUZFBUGPNMHZ-NEWSRXKRSA-N 2 1 349.519 1.819 20 0 EDADMP CCO[C@@H](C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)C[NH+](C)C ZINC000922755718 704315413 /nfs/dbraw/zinc/31/54/13/704315413.db2.gz GFYRUUNQUCYKOQ-CABCVRRESA-N 2 1 329.485 1.942 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3C[C@H]4OC(C)(C)O[C@H]4C3)cn2)CC1 ZINC000922874860 704443494 /nfs/dbraw/zinc/44/34/94/704443494.db2.gz GXKNFNZWHRNPAG-PHZGNYQRSA-N 2 1 347.463 1.001 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@@H]1CCSC1 ZINC000922875795 704443669 /nfs/dbraw/zinc/44/36/69/704443669.db2.gz NSULGUGNQKLAET-MRXNPFEDSA-N 2 1 341.521 1.183 20 0 EDADMP CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001004455740 704449382 /nfs/dbraw/zinc/44/93/82/704449382.db2.gz AIWGXEXNHXIKLZ-ZWKOTPCHSA-N 2 1 347.507 1.536 20 0 EDADMP CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001004455740 704449384 /nfs/dbraw/zinc/44/93/84/704449384.db2.gz AIWGXEXNHXIKLZ-ZWKOTPCHSA-N 2 1 347.507 1.536 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC3=CCCCC3)C(C)(C)C2)C1 ZINC000995603346 704566591 /nfs/dbraw/zinc/56/65/91/704566591.db2.gz KKAMVFBZSCFOSP-DLBZAZTESA-N 2 1 335.492 1.644 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC3=CCCCC3)C(C)(C)C2)C1 ZINC000995603346 704566592 /nfs/dbraw/zinc/56/65/92/704566592.db2.gz KKAMVFBZSCFOSP-DLBZAZTESA-N 2 1 335.492 1.644 20 0 EDADMP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1ccnc1)C1CCCC1 ZINC001032550197 704685828 /nfs/dbraw/zinc/68/58/28/704685828.db2.gz HIHDJVSZEPBMKU-OKZBNKHCSA-N 2 1 346.475 1.764 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC000997793634 704706419 /nfs/dbraw/zinc/70/64/19/704706419.db2.gz SIKCBWUTCAHZSA-WOSRLPQWSA-N 2 1 349.479 1.607 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC000997793634 704706421 /nfs/dbraw/zinc/70/64/21/704706421.db2.gz SIKCBWUTCAHZSA-WOSRLPQWSA-N 2 1 349.479 1.607 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)o1 ZINC000997829753 704748265 /nfs/dbraw/zinc/74/82/65/704748265.db2.gz BVGQQTQUAQDVSE-ZDUSSCGKSA-N 2 1 349.479 1.752 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000997831637 704749635 /nfs/dbraw/zinc/74/96/35/704749635.db2.gz WHKHXJFKDLMZDT-UHFFFAOYSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000997831637 704749637 /nfs/dbraw/zinc/74/96/37/704749637.db2.gz WHKHXJFKDLMZDT-UHFFFAOYSA-N 2 1 349.479 1.445 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000997865442 704772430 /nfs/dbraw/zinc/77/24/30/704772430.db2.gz OWPAKLAZDXLJRC-SFHVURJKSA-N 2 1 330.476 1.894 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944945510 704798604 /nfs/dbraw/zinc/79/86/04/704798604.db2.gz RQOOHRIPTXIAQB-YOEHRIQHSA-N 2 1 334.464 1.659 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2C)[C@@H](C)C1 ZINC000944965387 704835469 /nfs/dbraw/zinc/83/54/69/704835469.db2.gz RWIQYZZLQKJYGQ-SUMWQHHRSA-N 2 1 345.447 1.769 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944965387 704835482 /nfs/dbraw/zinc/83/54/82/704835482.db2.gz RWIQYZZLQKJYGQ-SUMWQHHRSA-N 2 1 345.447 1.769 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1 ZINC000998081580 705302659 /nfs/dbraw/zinc/30/26/59/705302659.db2.gz JXDBNXQURUVLSB-KSSFIOAISA-N 2 1 348.466 1.747 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)co1 ZINC000998217256 705539693 /nfs/dbraw/zinc/53/96/93/705539693.db2.gz NYBPQLGFXUXSBN-MRXNPFEDSA-N 2 1 334.464 1.653 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]Cc3ncccn3)CC2)C1 ZINC000998218301 705541263 /nfs/dbraw/zinc/54/12/63/705541263.db2.gz ZDXRGFPCZLBRAV-MRXNPFEDSA-N 2 1 331.464 1.147 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000998263907 705634282 /nfs/dbraw/zinc/63/42/82/705634282.db2.gz BDUUQDIJBHUKGY-DZGCQCFKSA-N 2 1 348.495 1.208 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCO)C3)CC1 ZINC001040479402 705672228 /nfs/dbraw/zinc/67/22/28/705672228.db2.gz QMNSMMCERICJAH-LJQANCHMSA-N 2 1 337.508 1.414 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)n2)CC1 ZINC000998286228 705681933 /nfs/dbraw/zinc/68/19/33/705681933.db2.gz JIASPCAEFPRGGA-KRWDZBQOSA-N 2 1 348.495 1.018 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2noc3c2CCCC3)C1 ZINC000998551885 705982503 /nfs/dbraw/zinc/98/25/03/705982503.db2.gz ROSMGFBWXWJDTH-KVULBXGLSA-N 2 1 346.475 1.727 20 0 EDADMP Cc1ccc(F)c(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998586983 706025901 /nfs/dbraw/zinc/02/59/01/706025901.db2.gz SNXNUCVSYIBVMH-HTWSVDAQSA-N 2 1 349.450 1.544 20 0 EDADMP Cc1ccc(F)c(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998586983 706025903 /nfs/dbraw/zinc/02/59/03/706025903.db2.gz SNXNUCVSYIBVMH-HTWSVDAQSA-N 2 1 349.450 1.544 20 0 EDADMP CC(C)n1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000998731275 706163727 /nfs/dbraw/zinc/16/37/27/706163727.db2.gz MYGWVLDKSSMTGC-DLBZAZTESA-N 2 1 333.480 1.639 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccn(CC)n3)C2)CC[N@H+]1C ZINC000998792297 706238852 /nfs/dbraw/zinc/23/88/52/706238852.db2.gz XFNYDHHEUHOMSF-ZGUYJTEBSA-N 2 1 347.507 1.712 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3cc(C4CC4)no3)C2)CC[N@H+]1C ZINC000998792187 706238959 /nfs/dbraw/zinc/23/89/59/706238959.db2.gz VJPAYMBQVXAURL-IGHZYHEGSA-N 2 1 346.475 1.971 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCc3ccccc3)C2)C1 ZINC000998823542 706269896 /nfs/dbraw/zinc/26/98/96/706269896.db2.gz INWWZBFSHXOTTM-QZTJIDSGSA-N 2 1 331.460 1.140 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCc3ccccc3)C2)C1 ZINC000998823542 706269908 /nfs/dbraw/zinc/26/99/08/706269908.db2.gz INWWZBFSHXOTTM-QZTJIDSGSA-N 2 1 331.460 1.140 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnsn2)C1 ZINC000998864977 706294950 /nfs/dbraw/zinc/29/49/50/706294950.db2.gz DHAMTUAWUCSZQR-PESDSKBTSA-N 2 1 337.493 1.492 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnsn2)C1 ZINC000998864977 706294951 /nfs/dbraw/zinc/29/49/51/706294951.db2.gz DHAMTUAWUCSZQR-PESDSKBTSA-N 2 1 337.493 1.492 20 0 EDADMP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000998993974 706411228 /nfs/dbraw/zinc/41/12/28/706411228.db2.gz HXYIVLKTYWRSRI-UYSNPLJNSA-N 2 1 333.480 1.466 20 0 EDADMP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000998995381 706412493 /nfs/dbraw/zinc/41/24/93/706412493.db2.gz QVSGZPOXHCKMGJ-ABHNRTSZSA-N 2 1 330.476 1.953 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC[C@H]3CCCO3)C[C@H]2CC1 ZINC000946517455 706521952 /nfs/dbraw/zinc/52/19/52/706521952.db2.gz DMEZBNCKDYZFNZ-FCGDIQPGSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2CC1 ZINC000946517455 706521953 /nfs/dbraw/zinc/52/19/53/706521953.db2.gz DMEZBNCKDYZFNZ-FCGDIQPGSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2CC1 ZINC000946517455 706521954 /nfs/dbraw/zinc/52/19/54/706521954.db2.gz DMEZBNCKDYZFNZ-FCGDIQPGSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2snnc2C)C1 ZINC000999123519 706548300 /nfs/dbraw/zinc/54/83/00/706548300.db2.gz MMHYIQFHVFISFV-UHFFFAOYSA-N 2 1 334.449 1.131 20 0 EDADMP CCn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999142643 706556337 /nfs/dbraw/zinc/55/63/37/706556337.db2.gz CFPSFUANCHWALT-SJORKVTESA-N 2 1 347.507 1.856 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCn3cccn3)C[C@H]2CC1 ZINC000946518060 706568377 /nfs/dbraw/zinc/56/83/77/706568377.db2.gz NHPHHTOCMXCQBE-FGTMMUONSA-N 2 1 345.491 1.148 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]2CC1 ZINC000946518060 706568380 /nfs/dbraw/zinc/56/83/80/706568380.db2.gz NHPHHTOCMXCQBE-FGTMMUONSA-N 2 1 345.491 1.148 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]2CC1 ZINC000946518060 706568383 /nfs/dbraw/zinc/56/83/83/706568383.db2.gz NHPHHTOCMXCQBE-FGTMMUONSA-N 2 1 345.491 1.148 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999340566 706851902 /nfs/dbraw/zinc/85/19/02/706851902.db2.gz BYSFIUAJAUWCLJ-UHFFFAOYSA-N 2 1 347.463 1.368 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000999373735 706868432 /nfs/dbraw/zinc/86/84/32/706868432.db2.gz QZADWNYDYLBGKP-JKSUJKDBSA-N 2 1 343.431 1.838 20 0 EDADMP CCCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999366071 706879956 /nfs/dbraw/zinc/87/99/56/706879956.db2.gz UKCNMZZBMLHLPJ-HNNXBMFYSA-N 2 1 348.495 1.253 20 0 EDADMP CCCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999366071 706879958 /nfs/dbraw/zinc/87/99/58/706879958.db2.gz UKCNMZZBMLHLPJ-HNNXBMFYSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999399186 706893778 /nfs/dbraw/zinc/89/37/78/706893778.db2.gz FNWLXXBJYIXXQS-HZPDHXFCSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999399186 706893781 /nfs/dbraw/zinc/89/37/81/706893781.db2.gz FNWLXXBJYIXXQS-HZPDHXFCSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)no1 ZINC000999403629 706912115 /nfs/dbraw/zinc/91/21/15/706912115.db2.gz RXNKTYUJNSOKOH-UHFFFAOYSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)no1 ZINC000999403629 706912119 /nfs/dbraw/zinc/91/21/19/706912119.db2.gz RXNKTYUJNSOKOH-UHFFFAOYSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)o1 ZINC000999407152 706916436 /nfs/dbraw/zinc/91/64/36/706916436.db2.gz DHFYCIBMNGVILO-UHFFFAOYSA-N 2 1 334.464 1.794 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)O1 ZINC000999498962 706996916 /nfs/dbraw/zinc/99/69/16/706996916.db2.gz XTPCEXNAZJERRE-DJIMGWMZSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)O1 ZINC000999498962 706996920 /nfs/dbraw/zinc/99/69/20/706996920.db2.gz XTPCEXNAZJERRE-DJIMGWMZSA-N 2 1 337.508 1.722 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H](C)[NH+]3CCCCCC3)C2)o1 ZINC000999502179 706999894 /nfs/dbraw/zinc/99/98/94/706999894.db2.gz JKEGKAAGFMBJSJ-JEYLPNPQSA-N 2 1 349.479 1.722 20 0 EDADMP C[C@H](C(=O)N(C)C1CC([NH2+]Cc2cnn(C)n2)C1)[NH+]1CCCCCC1 ZINC000999502039 706999933 /nfs/dbraw/zinc/99/99/33/706999933.db2.gz FPBCLTRRFPNQCN-HPUBIQBYSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999490832 707027101 /nfs/dbraw/zinc/02/71/01/707027101.db2.gz OMDXBUKYQXVHHB-UHFFFAOYSA-N 2 1 344.463 1.519 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC000999599356 707101830 /nfs/dbraw/zinc/10/18/30/707101830.db2.gz UHGRKCHAULWZDK-UHFFFAOYSA-N 2 1 349.479 1.443 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C(C)C)CC3)C2)o1 ZINC000999629033 707153984 /nfs/dbraw/zinc/15/39/84/707153984.db2.gz NORZJDJIUPRKGS-UHFFFAOYSA-N 2 1 349.479 1.577 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC000999682563 707167780 /nfs/dbraw/zinc/16/77/80/707167780.db2.gz PTZASISEUGDLCZ-NFOMZHRRSA-N 2 1 349.479 1.614 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC000999682563 707167781 /nfs/dbraw/zinc/16/77/81/707167781.db2.gz PTZASISEUGDLCZ-NFOMZHRRSA-N 2 1 349.479 1.614 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001033265755 707290519 /nfs/dbraw/zinc/29/05/19/707290519.db2.gz JNJWZMUPSFADMS-MRXNPFEDSA-N 2 1 327.432 1.628 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC001033265755 707290523 /nfs/dbraw/zinc/29/05/23/707290523.db2.gz JNJWZMUPSFADMS-MRXNPFEDSA-N 2 1 327.432 1.628 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC001033265935 707291366 /nfs/dbraw/zinc/29/13/66/707291366.db2.gz KZONMAWNRMOAQY-QGZVFWFLSA-N 2 1 344.463 1.238 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC001033265935 707291372 /nfs/dbraw/zinc/29/13/72/707291372.db2.gz KZONMAWNRMOAQY-QGZVFWFLSA-N 2 1 344.463 1.238 20 0 EDADMP O=C(c1ccc2cncn2c1)N1CCC[C@H](NCc2cnsn2)C1 ZINC000999709358 707302102 /nfs/dbraw/zinc/30/21/02/707302102.db2.gz SPWFWAGMVQJPMP-ZDUSSCGKSA-N 2 1 342.428 1.580 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2scnc2C)C1 ZINC000999713046 707310139 /nfs/dbraw/zinc/31/01/39/707310139.db2.gz KLGMPTMTUSQJBK-CQSZACIVSA-N 2 1 333.461 1.737 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033279713 707347950 /nfs/dbraw/zinc/34/79/50/707347950.db2.gz WOGPIEXXGJISSS-NNVNDSJASA-N 2 1 347.503 1.573 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001033279713 707347956 /nfs/dbraw/zinc/34/79/56/707347956.db2.gz WOGPIEXXGJISSS-NNVNDSJASA-N 2 1 347.503 1.573 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001033279713 707347960 /nfs/dbraw/zinc/34/79/60/707347960.db2.gz WOGPIEXXGJISSS-NNVNDSJASA-N 2 1 347.503 1.573 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001033182684 707357586 /nfs/dbraw/zinc/35/75/86/707357586.db2.gz QVBACTYAACABQZ-MSOLQXFVSA-N 2 1 349.519 1.822 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)o1 ZINC001033197154 707415711 /nfs/dbraw/zinc/41/57/11/707415711.db2.gz HDXHMGDQTNVZFV-HZPDHXFCSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)o1 ZINC001033197154 707415715 /nfs/dbraw/zinc/41/57/15/707415715.db2.gz HDXHMGDQTNVZFV-HZPDHXFCSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)o1 ZINC001033197154 707415718 /nfs/dbraw/zinc/41/57/18/707415718.db2.gz HDXHMGDQTNVZFV-HZPDHXFCSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)o1 ZINC001033197154 707415722 /nfs/dbraw/zinc/41/57/22/707415722.db2.gz HDXHMGDQTNVZFV-HZPDHXFCSA-N 2 1 334.464 1.808 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000999828039 707456538 /nfs/dbraw/zinc/45/65/38/707456538.db2.gz BCYDNPXCVZINKA-GTPINHCMSA-N 2 1 347.507 1.669 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC000999828205 707456667 /nfs/dbraw/zinc/45/66/67/707456667.db2.gz FEFMTVAAQZBNHK-NFOMZHRRSA-N 2 1 347.463 1.368 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC000999828205 707456669 /nfs/dbraw/zinc/45/66/69/707456669.db2.gz FEFMTVAAQZBNHK-NFOMZHRRSA-N 2 1 347.463 1.368 20 0 EDADMP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC000999829513 707458411 /nfs/dbraw/zinc/45/84/11/707458411.db2.gz IMZIHZFAFWDVRU-WLYUNCDWSA-N 2 1 334.464 1.576 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)s1 ZINC000999836234 707471076 /nfs/dbraw/zinc/47/10/76/707471076.db2.gz JSTGHKZZPIJDMA-UHFFFAOYSA-N 2 1 333.461 1.736 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033317603 707504558 /nfs/dbraw/zinc/50/45/58/707504558.db2.gz CFBSGLSWKKJFEI-KRWDZBQOSA-N 2 1 347.507 1.636 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033317603 707504563 /nfs/dbraw/zinc/50/45/63/707504563.db2.gz CFBSGLSWKKJFEI-KRWDZBQOSA-N 2 1 347.507 1.636 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC000999971548 707582012 /nfs/dbraw/zinc/58/20/12/707582012.db2.gz BPGYORNMLBPHSD-ROUUACIJSA-N 2 1 347.507 1.623 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001004899772 707585218 /nfs/dbraw/zinc/58/52/18/707585218.db2.gz YCDFDQUVSWHXIZ-WBVHZDCISA-N 2 1 344.463 1.484 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccn(C)n3)C2)C1 ZINC000999973435 707585971 /nfs/dbraw/zinc/58/59/71/707585971.db2.gz KOGMFRQARZHZJG-FUHWJXTLSA-N 2 1 347.507 1.623 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)ncn1 ZINC001000018838 707644978 /nfs/dbraw/zinc/64/49/78/707644978.db2.gz FDSBFVRVGXNFDT-ULQDDVLXSA-N 2 1 345.491 1.596 20 0 EDADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213564 707708916 /nfs/dbraw/zinc/70/89/16/707708916.db2.gz LGPXRODMWRYOTI-HOCLYGCPSA-N 2 1 343.431 1.053 20 0 EDADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213564 707708921 /nfs/dbraw/zinc/70/89/21/707708921.db2.gz LGPXRODMWRYOTI-HOCLYGCPSA-N 2 1 343.431 1.053 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)ccn1 ZINC001033420127 707829929 /nfs/dbraw/zinc/82/99/29/707829929.db2.gz MHAWZZRFGOVCIR-NVXWUHKLSA-N 2 1 346.475 1.465 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)ccn1 ZINC001033420127 707829930 /nfs/dbraw/zinc/82/99/30/707829930.db2.gz MHAWZZRFGOVCIR-NVXWUHKLSA-N 2 1 346.475 1.465 20 0 EDADMP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)ccn1 ZINC001033420127 707829933 /nfs/dbraw/zinc/82/99/33/707829933.db2.gz MHAWZZRFGOVCIR-NVXWUHKLSA-N 2 1 346.475 1.465 20 0 EDADMP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)ccn1 ZINC001033420127 707829936 /nfs/dbraw/zinc/82/99/36/707829936.db2.gz MHAWZZRFGOVCIR-NVXWUHKLSA-N 2 1 346.475 1.465 20 0 EDADMP C[C@@H]([NH2+]Cc1ncccn1)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004984731 707833249 /nfs/dbraw/zinc/83/32/49/707833249.db2.gz XPWRGOWOZDAOBX-HZPDHXFCSA-N 2 1 343.475 1.432 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033424405 707841429 /nfs/dbraw/zinc/84/14/29/707841429.db2.gz QZHDMDXGNAYZEB-SJLPKXTDSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033424405 707841430 /nfs/dbraw/zinc/84/14/30/707841430.db2.gz QZHDMDXGNAYZEB-SJLPKXTDSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033424405 707841431 /nfs/dbraw/zinc/84/14/31/707841431.db2.gz QZHDMDXGNAYZEB-SJLPKXTDSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccnn1C ZINC001004988084 707844431 /nfs/dbraw/zinc/84/44/31/707844431.db2.gz ADXALSJADQAPJF-RHSMWYFYSA-N 2 1 344.463 1.484 20 0 EDADMP Cc1cnc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001004990322 707851603 /nfs/dbraw/zinc/85/16/03/707851603.db2.gz HUVMTQHTFUKCGM-JKSUJKDBSA-N 2 1 334.464 1.938 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033229469 707883735 /nfs/dbraw/zinc/88/37/35/707883735.db2.gz SYXUUJFWJVEPBJ-INIZCTEOSA-N 2 1 335.492 1.717 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033473622 707962213 /nfs/dbraw/zinc/96/22/13/707962213.db2.gz CPCQJCNUQFEPNP-SFHVURJKSA-N 2 1 348.466 1.985 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033473622 707962214 /nfs/dbraw/zinc/96/22/14/707962214.db2.gz CPCQJCNUQFEPNP-SFHVURJKSA-N 2 1 348.466 1.985 20 0 EDADMP CN(C)c1ccccc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038094203 707963320 /nfs/dbraw/zinc/96/33/20/707963320.db2.gz BPKLVDIRXCFDKH-SJLPKXTDSA-N 2 1 330.476 1.537 20 0 EDADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038094203 707963323 /nfs/dbraw/zinc/96/33/23/707963323.db2.gz BPKLVDIRXCFDKH-SJLPKXTDSA-N 2 1 330.476 1.537 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038094203 707963326 /nfs/dbraw/zinc/96/33/26/707963326.db2.gz BPKLVDIRXCFDKH-SJLPKXTDSA-N 2 1 330.476 1.537 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038094203 707963329 /nfs/dbraw/zinc/96/33/29/707963329.db2.gz BPKLVDIRXCFDKH-SJLPKXTDSA-N 2 1 330.476 1.537 20 0 EDADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(CO)cc1 ZINC001032783805 707980919 /nfs/dbraw/zinc/98/09/19/707980919.db2.gz SPWDDGOFIKDGDV-ROUUACIJSA-N 2 1 329.444 1.060 20 0 EDADMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(CO)cc1 ZINC001032783805 707980922 /nfs/dbraw/zinc/98/09/22/707980922.db2.gz SPWDDGOFIKDGDV-ROUUACIJSA-N 2 1 329.444 1.060 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(C)(C)C2)C1 ZINC001032793172 708052293 /nfs/dbraw/zinc/05/22/93/708052293.db2.gz WLRSSXOXLRNAFH-YESZJQIVSA-N 2 1 335.492 1.428 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(C)(C)C2)C1 ZINC001032793172 708052294 /nfs/dbraw/zinc/05/22/94/708052294.db2.gz WLRSSXOXLRNAFH-YESZJQIVSA-N 2 1 335.492 1.428 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(C)(C)C2)C1 ZINC001032793172 708052295 /nfs/dbraw/zinc/05/22/95/708052295.db2.gz WLRSSXOXLRNAFH-YESZJQIVSA-N 2 1 335.492 1.428 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(C)(C)C2)C1 ZINC001032793172 708052296 /nfs/dbraw/zinc/05/22/96/708052296.db2.gz WLRSSXOXLRNAFH-YESZJQIVSA-N 2 1 335.492 1.428 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001005208134 708229348 /nfs/dbraw/zinc/22/93/48/708229348.db2.gz BWAVSNQXVWKTJJ-IBGZPJMESA-N 2 1 345.487 1.483 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001005208134 708229351 /nfs/dbraw/zinc/22/93/51/708229351.db2.gz BWAVSNQXVWKTJJ-IBGZPJMESA-N 2 1 345.487 1.483 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)s1 ZINC001033580709 708261511 /nfs/dbraw/zinc/26/15/11/708261511.db2.gz HLDSXKGHVJQWON-HUUCEWRRSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)s1 ZINC001033580709 708261514 /nfs/dbraw/zinc/26/15/14/708261514.db2.gz HLDSXKGHVJQWON-HUUCEWRRSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)s1 ZINC001033580709 708261517 /nfs/dbraw/zinc/26/15/17/708261517.db2.gz HLDSXKGHVJQWON-HUUCEWRRSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)s1 ZINC001033580709 708261522 /nfs/dbraw/zinc/26/15/22/708261522.db2.gz HLDSXKGHVJQWON-HUUCEWRRSA-N 2 1 336.505 1.826 20 0 EDADMP COC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001771935 708294711 /nfs/dbraw/zinc/29/47/11/708294711.db2.gz HROFACXGMXBHGT-YOEHRIQHSA-N 2 1 348.491 1.617 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001033594997 708297705 /nfs/dbraw/zinc/29/77/05/708297705.db2.gz TUNCASSCLZFAQU-QGZVFWFLSA-N 2 1 345.491 1.074 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2nccs2)CC1 ZINC001001831839 708337276 /nfs/dbraw/zinc/33/72/76/708337276.db2.gz ASWQFNJGWRHHEP-ZFWWWQNUSA-N 2 1 336.505 1.669 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2nccs2)CC1 ZINC001001831839 708337279 /nfs/dbraw/zinc/33/72/79/708337279.db2.gz ASWQFNJGWRHHEP-ZFWWWQNUSA-N 2 1 336.505 1.669 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033666836 708453045 /nfs/dbraw/zinc/45/30/45/708453045.db2.gz AXRVLJBVEYVDFW-HOTGVXAUSA-N 2 1 334.464 1.539 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033666836 708453049 /nfs/dbraw/zinc/45/30/49/708453049.db2.gz AXRVLJBVEYVDFW-HOTGVXAUSA-N 2 1 334.464 1.539 20 0 EDADMP Cc1ccccc1OCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033659164 708470186 /nfs/dbraw/zinc/47/01/86/708470186.db2.gz BSEFXCZBRLSHFV-ZWKOTPCHSA-N 2 1 345.487 1.858 20 0 EDADMP Cc1ccccc1OCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033659164 708470187 /nfs/dbraw/zinc/47/01/87/708470187.db2.gz BSEFXCZBRLSHFV-ZWKOTPCHSA-N 2 1 345.487 1.858 20 0 EDADMP Cc1ccccc1OCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033659164 708470189 /nfs/dbraw/zinc/47/01/89/708470189.db2.gz BSEFXCZBRLSHFV-ZWKOTPCHSA-N 2 1 345.487 1.858 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001033662541 708478191 /nfs/dbraw/zinc/47/81/91/708478191.db2.gz QTYKEMYRBYURFD-HUUCEWRRSA-N 2 1 337.414 1.949 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001033662541 708478193 /nfs/dbraw/zinc/47/81/93/708478193.db2.gz QTYKEMYRBYURFD-HUUCEWRRSA-N 2 1 337.414 1.949 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001033662541 708478195 /nfs/dbraw/zinc/47/81/95/708478195.db2.gz QTYKEMYRBYURFD-HUUCEWRRSA-N 2 1 337.414 1.949 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001033662541 708478198 /nfs/dbraw/zinc/47/81/98/708478198.db2.gz QTYKEMYRBYURFD-HUUCEWRRSA-N 2 1 337.414 1.949 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685090 708498853 /nfs/dbraw/zinc/49/88/53/708498853.db2.gz SNDUXTWGXFSFGT-CRAIPNDOSA-N 2 1 333.476 1.929 20 0 EDADMP Cc1nnc([C@H](C)N2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002122165 708636438 /nfs/dbraw/zinc/63/64/38/708636438.db2.gz AEZNFCUNIDHQOJ-WFASDCNBSA-N 2 1 335.452 1.219 20 0 EDADMP Cc1nnc([C@H](C)[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002122165 708636441 /nfs/dbraw/zinc/63/64/41/708636441.db2.gz AEZNFCUNIDHQOJ-WFASDCNBSA-N 2 1 335.452 1.219 20 0 EDADMP Cc1nnc([C@H](C)[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002122165 708636442 /nfs/dbraw/zinc/63/64/42/708636442.db2.gz AEZNFCUNIDHQOJ-WFASDCNBSA-N 2 1 335.452 1.219 20 0 EDADMP Cn1nc2c(c1C[NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000921859899 708697365 /nfs/dbraw/zinc/69/73/65/708697365.db2.gz OXYOEPXKKOGTSX-HKUYNNGSSA-N 2 1 332.492 1.766 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCn2nc(C)cc2C)C1 ZINC001033778249 708706553 /nfs/dbraw/zinc/70/65/53/708706553.db2.gz YZFCFEKUIZSMBX-ROUUACIJSA-N 2 1 347.507 1.517 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001033778249 708706554 /nfs/dbraw/zinc/70/65/54/708706554.db2.gz YZFCFEKUIZSMBX-ROUUACIJSA-N 2 1 347.507 1.517 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001033778249 708706555 /nfs/dbraw/zinc/70/65/55/708706555.db2.gz YZFCFEKUIZSMBX-ROUUACIJSA-N 2 1 347.507 1.517 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033831464 708854065 /nfs/dbraw/zinc/85/40/65/708854065.db2.gz WLBOOAXKYXDSBW-MOPGFXCFSA-N 2 1 342.487 1.846 20 0 EDADMP CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001033955536 709137094 /nfs/dbraw/zinc/13/70/94/709137094.db2.gz ZPJUTKOQRUWSGH-IBGZPJMESA-N 2 1 347.503 1.974 20 0 EDADMP CCN(C(=O)c1cc(-n2ccnc2)ccn1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034008736 709219530 /nfs/dbraw/zinc/21/95/30/709219530.db2.gz BRYGHUNMLAGSRU-ZBFHGGJFSA-N 2 1 343.431 1.185 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001034014657 709229893 /nfs/dbraw/zinc/22/98/93/709229893.db2.gz ZYTADRPNNXMYJO-HNNXBMFYSA-N 2 1 332.448 1.502 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001034014657 709229895 /nfs/dbraw/zinc/22/98/95/709229895.db2.gz ZYTADRPNNXMYJO-HNNXBMFYSA-N 2 1 332.448 1.502 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001034018145 709235593 /nfs/dbraw/zinc/23/55/93/709235593.db2.gz XNQUEERWKXJCHJ-SJORKVTESA-N 2 1 335.492 1.574 20 0 EDADMP C[C@@]12CN(C(=O)[C@@H]3CSC[NH2+]3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702069313 709311820 /nfs/dbraw/zinc/31/18/20/709311820.db2.gz KCSPVHHXLMQTFV-XYJFISCASA-N 2 1 331.485 1.629 20 0 EDADMP C[C@@]12CN(C(=O)[C@@H]3CSC[NH2+]3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702069313 709311824 /nfs/dbraw/zinc/31/18/24/709311824.db2.gz KCSPVHHXLMQTFV-XYJFISCASA-N 2 1 331.485 1.629 20 0 EDADMP C[C@@]12CN(C(=O)[C@H]([NH3+])CC(F)F)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702126422 709336900 /nfs/dbraw/zinc/33/69/00/709336900.db2.gz OXSQURKSNAXKAO-HDMKZQKVSA-N 2 1 337.414 1.949 20 0 EDADMP Cc1cc(NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)nc(N)[nH+]1 ZINC000702213662 709394439 /nfs/dbraw/zinc/39/44/39/709394439.db2.gz FFUWXJARPCYWHO-INIZCTEOSA-N 2 1 326.448 1.595 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001002790977 709398510 /nfs/dbraw/zinc/39/85/10/709398510.db2.gz CVFRYASUKBEYOH-GOSISDBHSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002790977 709398512 /nfs/dbraw/zinc/39/85/12/709398512.db2.gz CVFRYASUKBEYOH-GOSISDBHSA-N 2 1 345.491 1.738 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002801536 709415522 /nfs/dbraw/zinc/41/55/22/709415522.db2.gz JBPBYOPBVLBHPK-DOTOQJQBSA-N 2 1 345.491 1.375 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002801536 709415524 /nfs/dbraw/zinc/41/55/24/709415524.db2.gz JBPBYOPBVLBHPK-DOTOQJQBSA-N 2 1 345.491 1.375 20 0 EDADMP CN1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034147849 709418938 /nfs/dbraw/zinc/41/89/38/709418938.db2.gz CMWGIZBUNWGPMW-LSDHHAIUSA-N 2 1 345.434 1.333 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001034147849 709418939 /nfs/dbraw/zinc/41/89/39/709418939.db2.gz CMWGIZBUNWGPMW-LSDHHAIUSA-N 2 1 345.434 1.333 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001034147849 709418940 /nfs/dbraw/zinc/41/89/40/709418940.db2.gz CMWGIZBUNWGPMW-LSDHHAIUSA-N 2 1 345.434 1.333 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034147849 709418941 /nfs/dbraw/zinc/41/89/41/709418941.db2.gz CMWGIZBUNWGPMW-LSDHHAIUSA-N 2 1 345.434 1.333 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034147849 709418942 /nfs/dbraw/zinc/41/89/42/709418942.db2.gz CMWGIZBUNWGPMW-LSDHHAIUSA-N 2 1 345.434 1.333 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)CC[N@H+]1C ZINC001002861412 709464765 /nfs/dbraw/zinc/46/47/65/709464765.db2.gz XRKNZFMKYQGWTL-DJIMGWMZSA-N 2 1 337.508 1.722 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H](C)c3cnccn3)CC2)CC[N@@H+]1C ZINC001002858907 709466647 /nfs/dbraw/zinc/46/66/47/709466647.db2.gz INRWHWKLKNOHIV-UWWQBHOKSA-N 2 1 345.491 1.849 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H](C)c3cnccn3)CC2)CC[N@H+]1C ZINC001002858907 709466649 /nfs/dbraw/zinc/46/66/49/709466649.db2.gz INRWHWKLKNOHIV-UWWQBHOKSA-N 2 1 345.491 1.849 20 0 EDADMP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1)OC ZINC001002858824 709466752 /nfs/dbraw/zinc/46/67/52/709466752.db2.gz HLXTYQZBHLKZGL-YESZJQIVSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cnc(C)nc3)CC2)CC[N@@H+]1C ZINC001002860096 709468393 /nfs/dbraw/zinc/46/83/93/709468393.db2.gz XNTFNJVUMJUOFP-ZWKOTPCHSA-N 2 1 345.491 1.596 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cnc(C)nc3)CC2)CC[N@H+]1C ZINC001002860096 709468394 /nfs/dbraw/zinc/46/83/94/709468394.db2.gz XNTFNJVUMJUOFP-ZWKOTPCHSA-N 2 1 345.491 1.596 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[NH+](CCCO)C1 ZINC001034248532 709609948 /nfs/dbraw/zinc/60/99/48/709609948.db2.gz DCLAALZUNJVFPD-SJORKVTESA-N 2 1 325.497 1.602 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[N@H+](CCCO)C1 ZINC001034248532 709609950 /nfs/dbraw/zinc/60/99/50/709609950.db2.gz DCLAALZUNJVFPD-SJORKVTESA-N 2 1 325.497 1.602 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1 ZINC001034248532 709609952 /nfs/dbraw/zinc/60/99/52/709609952.db2.gz DCLAALZUNJVFPD-SJORKVTESA-N 2 1 325.497 1.602 20 0 EDADMP COC[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001034260854 709648052 /nfs/dbraw/zinc/64/80/52/709648052.db2.gz PRMLBHPTJMBXSB-CVEARBPZSA-N 2 1 336.480 1.932 20 0 EDADMP O=C(NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000702623004 709688087 /nfs/dbraw/zinc/68/80/87/709688087.db2.gz ZMSNAFDOJMUINW-VQTJNVASSA-N 2 1 343.471 1.226 20 0 EDADMP O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@]12CC[NH+](C1)CCC2 ZINC000702623004 709688088 /nfs/dbraw/zinc/68/80/88/709688088.db2.gz ZMSNAFDOJMUINW-VQTJNVASSA-N 2 1 343.471 1.226 20 0 EDADMP O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@]12CC[NH+](C1)CCC2 ZINC000702623004 709688089 /nfs/dbraw/zinc/68/80/89/709688089.db2.gz ZMSNAFDOJMUINW-VQTJNVASSA-N 2 1 343.471 1.226 20 0 EDADMP Cn1cncc1C[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290560 709715625 /nfs/dbraw/zinc/71/56/25/709715625.db2.gz JAIWAXKKPMAVEF-INIZCTEOSA-N 2 1 345.491 1.519 20 0 EDADMP Cn1cncc1C[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290560 709715628 /nfs/dbraw/zinc/71/56/28/709715628.db2.gz JAIWAXKKPMAVEF-INIZCTEOSA-N 2 1 345.491 1.519 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](C[C@H]2CCOC2)C1)C12CCC[NH+]1CCC2 ZINC001034291219 709716532 /nfs/dbraw/zinc/71/65/32/709716532.db2.gz RNBLHMGHMJJENG-IAGOWNOFSA-N 2 1 335.492 1.622 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CCc2ccnn2C)C1 ZINC001034308896 709749923 /nfs/dbraw/zinc/74/99/23/709749923.db2.gz HQCSZYSPFPXKGM-INIZCTEOSA-N 2 1 344.463 1.138 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CCc2ccnn2C)C1 ZINC001034308896 709749926 /nfs/dbraw/zinc/74/99/26/709749926.db2.gz HQCSZYSPFPXKGM-INIZCTEOSA-N 2 1 344.463 1.138 20 0 EDADMP CNC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309149 709750629 /nfs/dbraw/zinc/75/06/29/709750629.db2.gz IRQNCAPJKKUEIO-DZGCQCFKSA-N 2 1 343.431 1.053 20 0 EDADMP CNC(=O)[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309149 709750630 /nfs/dbraw/zinc/75/06/30/709750630.db2.gz IRQNCAPJKKUEIO-DZGCQCFKSA-N 2 1 343.431 1.053 20 0 EDADMP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)[C@@H]1CCCc2[nH+]ccn21 ZINC001003016846 709805510 /nfs/dbraw/zinc/80/55/10/709805510.db2.gz SISWQCXAICEYDK-WBVHZDCISA-N 2 1 346.475 1.768 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034362694 709879592 /nfs/dbraw/zinc/87/95/92/709879592.db2.gz IKJAZLFYEOBTQL-IRXDYDNUSA-N 2 1 325.497 1.866 20 0 EDADMP CCCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034362694 709879597 /nfs/dbraw/zinc/87/95/97/709879597.db2.gz IKJAZLFYEOBTQL-IRXDYDNUSA-N 2 1 325.497 1.866 20 0 EDADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034362694 709879604 /nfs/dbraw/zinc/87/96/04/709879604.db2.gz IKJAZLFYEOBTQL-IRXDYDNUSA-N 2 1 325.497 1.866 20 0 EDADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034362694 709879609 /nfs/dbraw/zinc/87/96/09/709879609.db2.gz IKJAZLFYEOBTQL-IRXDYDNUSA-N 2 1 325.497 1.866 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3ccns3)C2)CC1 ZINC001034377222 709897768 /nfs/dbraw/zinc/89/77/68/709897768.db2.gz JOYDLVGWQMPZEU-HNNXBMFYSA-N 2 1 336.505 1.956 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3ccns3)C2)CC1 ZINC001034377222 709897770 /nfs/dbraw/zinc/89/77/70/709897770.db2.gz JOYDLVGWQMPZEU-HNNXBMFYSA-N 2 1 336.505 1.956 20 0 EDADMP C[C@H](c1cnccn1)[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386890 709915838 /nfs/dbraw/zinc/91/58/38/709915838.db2.gz VAOIVEUMCJMPNR-NVXWUHKLSA-N 2 1 345.491 1.850 20 0 EDADMP C[C@H](c1cnccn1)[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386890 709915842 /nfs/dbraw/zinc/91/58/42/709915842.db2.gz VAOIVEUMCJMPNR-NVXWUHKLSA-N 2 1 345.491 1.850 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001034398641 709940139 /nfs/dbraw/zinc/94/01/39/709940139.db2.gz PBRVQIOSIJXHDJ-DLBZAZTESA-N 2 1 337.508 1.726 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](C[C@@H]3CCOC3)C2)C1 ZINC001034398641 709940140 /nfs/dbraw/zinc/94/01/40/709940140.db2.gz PBRVQIOSIJXHDJ-DLBZAZTESA-N 2 1 337.508 1.726 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](C[C@@H]3CCOC3)C2)C1 ZINC001034398641 709940144 /nfs/dbraw/zinc/94/01/44/709940144.db2.gz PBRVQIOSIJXHDJ-DLBZAZTESA-N 2 1 337.508 1.726 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)on1 ZINC001034402577 709948782 /nfs/dbraw/zinc/94/87/82/709948782.db2.gz QMZRLJDPBNFEQK-HOCLYGCPSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)on1 ZINC001034402577 709948787 /nfs/dbraw/zinc/94/87/87/709948787.db2.gz QMZRLJDPBNFEQK-HOCLYGCPSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)on1 ZINC001034402577 709948791 /nfs/dbraw/zinc/94/87/91/709948791.db2.gz QMZRLJDPBNFEQK-HOCLYGCPSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)on1 ZINC001034402577 709948794 /nfs/dbraw/zinc/94/87/94/709948794.db2.gz QMZRLJDPBNFEQK-HOCLYGCPSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCC(C)(C)C)CC2)O1 ZINC001003132516 710016895 /nfs/dbraw/zinc/01/68/95/710016895.db2.gz DOTRBGJIKAKMQM-GDBMZVCRSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCC(C)(C)C)CC2)O1 ZINC001003132516 710016899 /nfs/dbraw/zinc/01/68/99/710016899.db2.gz DOTRBGJIKAKMQM-GDBMZVCRSA-N 2 1 325.497 1.722 20 0 EDADMP CO[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034464057 710034489 /nfs/dbraw/zinc/03/44/89/710034489.db2.gz WOLDCILDXSRFPU-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001003147619 710046031 /nfs/dbraw/zinc/04/60/31/710046031.db2.gz WWATZSPNCBHJLG-ROUUACIJSA-N 2 1 345.491 1.481 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003157516 710060144 /nfs/dbraw/zinc/06/01/44/710060144.db2.gz ALQOTPHAZXEJIP-RHSMWYFYSA-N 2 1 331.464 1.603 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003157516 710060147 /nfs/dbraw/zinc/06/01/47/710060147.db2.gz ALQOTPHAZXEJIP-RHSMWYFYSA-N 2 1 331.464 1.603 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001003160425 710069259 /nfs/dbraw/zinc/06/92/59/710069259.db2.gz PINJUHLDEPHZME-IAGOWNOFSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001003161046 710070614 /nfs/dbraw/zinc/07/06/14/710070614.db2.gz RYTUOLVEOZBDBT-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1nc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)o1 ZINC001034523944 710172517 /nfs/dbraw/zinc/17/25/17/710172517.db2.gz CPYRHRRJNOBKOT-JKSUJKDBSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)o1 ZINC001034523944 710172519 /nfs/dbraw/zinc/17/25/19/710172519.db2.gz CPYRHRRJNOBKOT-JKSUJKDBSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c(C)o1 ZINC001034523944 710172521 /nfs/dbraw/zinc/17/25/21/710172521.db2.gz CPYRHRRJNOBKOT-JKSUJKDBSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c(C)o1 ZINC001034523944 710172523 /nfs/dbraw/zinc/17/25/23/710172523.db2.gz CPYRHRRJNOBKOT-JKSUJKDBSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001034610687 710284787 /nfs/dbraw/zinc/28/47/87/710284787.db2.gz YQEDLOZDBRAPFN-ULQDDVLXSA-N 2 1 331.464 1.396 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001034648084 710325110 /nfs/dbraw/zinc/32/51/10/710325110.db2.gz XSFTUBJURPTDRS-DNNBLBMLSA-N 2 1 334.464 1.840 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC001003548418 710414207 /nfs/dbraw/zinc/41/42/07/710414207.db2.gz QUUUUDADQVBDNP-OAHLLOKOSA-N 2 1 345.491 1.768 20 0 EDADMP CCO[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)C[NH+](C)C ZINC000922204477 710421123 /nfs/dbraw/zinc/42/11/23/710421123.db2.gz GLORQNUNGYPKIP-CVEARBPZSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001003629017 710459051 /nfs/dbraw/zinc/45/90/51/710459051.db2.gz WWXHYOOWAHMPSP-QFBILLFUSA-N 2 1 345.487 1.785 20 0 EDADMP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](Cc3cncs3)CC2)C1 ZINC001003629666 710459413 /nfs/dbraw/zinc/45/94/13/710459413.db2.gz DERKRLWUMSAZPQ-UHFFFAOYSA-N 2 1 336.505 1.956 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](Cc3cncs3)CC2)C1 ZINC001003629666 710459414 /nfs/dbraw/zinc/45/94/14/710459414.db2.gz DERKRLWUMSAZPQ-UHFFFAOYSA-N 2 1 336.505 1.956 20 0 EDADMP C[C@@H]1CC[C@H](C[NH+]2CCC(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)O1 ZINC001003631200 710460381 /nfs/dbraw/zinc/46/03/81/710460381.db2.gz UENCHQJTXSBPDF-NVXWUHKLSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CCO[C@H]3CC3(F)F)CC2)C1 ZINC001003631922 710460804 /nfs/dbraw/zinc/46/08/04/710460804.db2.gz WTRXCHRVVLDWIB-ZFWWWQNUSA-N 2 1 345.434 1.333 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccnn2C)CC1)[NH+]1CCCCCC1 ZINC001003736828 710518035 /nfs/dbraw/zinc/51/80/35/710518035.db2.gz WGGGVIODUSUTRZ-MRXNPFEDSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034659181 710588546 /nfs/dbraw/zinc/58/85/46/710588546.db2.gz OJDCVDYUKZEVIA-JFIYKMOQSA-N 2 1 347.507 1.812 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC001034673489 710611213 /nfs/dbraw/zinc/61/12/13/710611213.db2.gz BMYUMGCQXZUNAY-ULQDDVLXSA-N 2 1 345.491 1.786 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001034693216 710783584 /nfs/dbraw/zinc/78/35/84/710783584.db2.gz CLDDFSDDVSUGQW-SYJBPTKTSA-N 2 1 347.503 1.667 20 0 EDADMP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC001034734269 710915719 /nfs/dbraw/zinc/91/57/19/710915719.db2.gz LXWVXVZXBNFFHA-SDADXPQNSA-N 2 1 349.479 1.798 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2cnn(C)c2)CC1 ZINC001034734978 710918587 /nfs/dbraw/zinc/91/85/87/710918587.db2.gz CYFJTKJJULYCDS-SZMVWBNQSA-N 2 1 347.507 1.464 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)no1 ZINC001034737008 710947738 /nfs/dbraw/zinc/94/77/38/710947738.db2.gz GNOYZZPCKKSYRM-MMTVNHQJSA-N 2 1 334.464 1.698 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001034737023 710948589 /nfs/dbraw/zinc/94/85/89/710948589.db2.gz GTNLFAOGIDWLAQ-ZQDZILKHSA-N 2 1 349.479 1.347 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001034737023 710948591 /nfs/dbraw/zinc/94/85/91/710948591.db2.gz GTNLFAOGIDWLAQ-ZQDZILKHSA-N 2 1 349.479 1.347 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034737239 710949260 /nfs/dbraw/zinc/94/92/60/710949260.db2.gz HRIBHXCJRXOUBG-VDHUWJSZSA-N 2 1 337.508 1.628 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC001032958847 710980931 /nfs/dbraw/zinc/98/09/31/710980931.db2.gz BQIFOIOZSBUCDQ-WMZOPIPTSA-N 2 1 333.451 1.995 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCc2ccccc2F)C1 ZINC001032958847 710980936 /nfs/dbraw/zinc/98/09/36/710980936.db2.gz BQIFOIOZSBUCDQ-WMZOPIPTSA-N 2 1 333.451 1.995 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCc2ccccc2F)C1 ZINC001032958847 710980940 /nfs/dbraw/zinc/98/09/40/710980940.db2.gz BQIFOIOZSBUCDQ-WMZOPIPTSA-N 2 1 333.451 1.995 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCOC3)CC2)C1 ZINC001034775839 711050352 /nfs/dbraw/zinc/05/03/52/711050352.db2.gz KEAURGCMPQZBGY-XSLAGTTESA-N 2 1 337.508 1.772 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC001034776434 711053256 /nfs/dbraw/zinc/05/32/56/711053256.db2.gz UCUANNBTYGVQSZ-YYIAUSFCSA-N 2 1 345.491 1.896 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)c(C)c1 ZINC001032980624 711108159 /nfs/dbraw/zinc/10/81/59/711108159.db2.gz NKBFVCPHIRMSMO-RTBURBONSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)c(C)c1 ZINC001032980624 711108161 /nfs/dbraw/zinc/10/81/61/711108161.db2.gz NKBFVCPHIRMSMO-RTBURBONSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C)c1 ZINC001032980624 711108164 /nfs/dbraw/zinc/10/81/64/711108164.db2.gz NKBFVCPHIRMSMO-RTBURBONSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C)c1 ZINC001032980624 711108167 /nfs/dbraw/zinc/10/81/67/711108167.db2.gz NKBFVCPHIRMSMO-RTBURBONSA-N 2 1 345.487 1.667 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nnc(C4CC4)o3)CC2)C1 ZINC001034792488 711120377 /nfs/dbraw/zinc/12/03/77/711120377.db2.gz KCNKJNYXTUUAFQ-RBSFLKMASA-N 2 1 347.463 1.416 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nnc(C4CC4)o3)CC2)C1 ZINC001034792488 711120383 /nfs/dbraw/zinc/12/03/83/711120383.db2.gz KCNKJNYXTUUAFQ-RBSFLKMASA-N 2 1 347.463 1.416 20 0 EDADMP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001034792717 711120887 /nfs/dbraw/zinc/12/08/87/711120887.db2.gz MGMBRZOWASOBOD-MXAVVETBSA-N 2 1 335.452 1.408 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003978760 711155948 /nfs/dbraw/zinc/15/59/48/711155948.db2.gz INCPOUDWCQHAGR-UHFFFAOYSA-N 2 1 344.459 1.267 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2ccc(CNCc3cnon3)cc2)CC[N@H+]1C ZINC001034818622 711205181 /nfs/dbraw/zinc/20/51/81/711205181.db2.gz LHAPUOOEDIEMES-CXAGYDPISA-N 2 1 343.431 1.316 20 0 EDADMP CN(C)c1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)ccn1 ZINC001034882343 711283565 /nfs/dbraw/zinc/28/35/65/711283565.db2.gz VCXGAVNYMIQZCY-IAGOWNOFSA-N 2 1 345.491 1.322 20 0 EDADMP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1)c1ncccn1 ZINC001034957923 711430480 /nfs/dbraw/zinc/43/04/80/711430480.db2.gz PPMVYEBHFMMTCP-GOEBONIOSA-N 2 1 331.464 1.603 20 0 EDADMP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)c1ncccn1 ZINC001034957923 711430481 /nfs/dbraw/zinc/43/04/81/711430481.db2.gz PPMVYEBHFMMTCP-GOEBONIOSA-N 2 1 331.464 1.603 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CO)cc1)C1CCC1 ZINC001034957830 711430631 /nfs/dbraw/zinc/43/06/31/711430631.db2.gz KZGINAZWRWIEQC-LJQANCHMSA-N 2 1 345.487 1.744 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc3c1OCO3)C2 ZINC000922388180 711431387 /nfs/dbraw/zinc/43/13/87/711431387.db2.gz OYEBFLJALWKCIB-LTDCPUDJSA-N 2 1 332.444 1.985 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]Cc1cscn1 ZINC001034941208 711445739 /nfs/dbraw/zinc/44/57/39/711445739.db2.gz LEGFJTQURPQFIU-HZPDHXFCSA-N 2 1 334.489 1.566 20 0 EDADMP O=C(N1CCC[C@@H]1C[NH2+]Cc1ccon1)C12CCC[NH+](CCC1)C2 ZINC001034970280 711449852 /nfs/dbraw/zinc/44/98/52/711449852.db2.gz ZUVAJWVEPYZUQZ-MRXNPFEDSA-N 2 1 332.448 1.631 20 0 EDADMP COc1cnc(F)c(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000922390441 711454103 /nfs/dbraw/zinc/45/41/03/711454103.db2.gz MNYKWJRVIXYWNE-XLMAVXFVSA-N 2 1 337.439 1.799 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(Cl)n1C)C2 ZINC000922391161 711455606 /nfs/dbraw/zinc/45/56/06/711455606.db2.gz UELMTFOCULBYPR-NYTXWWLZSA-N 2 1 326.872 1.643 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001004140939 711539810 /nfs/dbraw/zinc/53/98/10/711539810.db2.gz AOHDSCOFPCETBL-CQSZACIVSA-N 2 1 332.448 1.123 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001004140939 711539814 /nfs/dbraw/zinc/53/98/14/711539814.db2.gz AOHDSCOFPCETBL-CQSZACIVSA-N 2 1 332.448 1.123 20 0 EDADMP O=C(N1CCC([C@H]2CCC[N@@H+]2CCO)CC1)C12CCC[NH+](CCC1)C2 ZINC001004468994 711844953 /nfs/dbraw/zinc/84/49/53/711844953.db2.gz KKXSUVCXVCBYGK-GOSISDBHSA-N 2 1 349.519 1.558 20 0 EDADMP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1)[NH+](C)C ZINC001004474475 711851009 /nfs/dbraw/zinc/85/10/09/711851009.db2.gz OSPKZCFPWKJKQB-SJORKVTESA-N 2 1 325.497 1.412 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cnon3)C[C@H]2CC1)C1CC1 ZINC000946623762 711924895 /nfs/dbraw/zinc/92/48/95/711924895.db2.gz PSMDPLDBPLPHLG-UXLLHSPISA-N 2 1 347.463 1.080 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033142328 711948118 /nfs/dbraw/zinc/94/81/18/711948118.db2.gz RKABYRSJPMEJPO-MOPGFXCFSA-N 2 1 349.519 1.963 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033142328 711948121 /nfs/dbraw/zinc/94/81/21/711948121.db2.gz RKABYRSJPMEJPO-MOPGFXCFSA-N 2 1 349.519 1.963 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033142328 711948122 /nfs/dbraw/zinc/94/81/22/711948122.db2.gz RKABYRSJPMEJPO-MOPGFXCFSA-N 2 1 349.519 1.963 20 0 EDADMP CC1CC[NH+](CC(=O)N2CCC([C@@H]3CCC[N@H+]3CCO)CC2)CC1 ZINC001004587170 712021506 /nfs/dbraw/zinc/02/15/06/712021506.db2.gz XNHUWVOSCRJMNS-SFHVURJKSA-N 2 1 337.508 1.414 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]2CC1)[NH+](C)C ZINC000946633086 712053961 /nfs/dbraw/zinc/05/39/61/712053961.db2.gz HSNIELCGHPZULR-JZXOWHBKSA-N 2 1 348.491 1.931 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004620844 712083098 /nfs/dbraw/zinc/08/30/98/712083098.db2.gz RILPUJNJEZJIIM-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004620844 712083100 /nfs/dbraw/zinc/08/31/00/712083100.db2.gz RILPUJNJEZJIIM-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001004620844 712083102 /nfs/dbraw/zinc/08/31/02/712083102.db2.gz RILPUJNJEZJIIM-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004620844 712083104 /nfs/dbraw/zinc/08/31/04/712083104.db2.gz RILPUJNJEZJIIM-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000557627779 306231407 /nfs/dbraw/zinc/23/14/07/306231407.db2.gz LLJVWSPGJKTWOW-SFHVURJKSA-N 2 1 345.487 1.585 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000557670597 306232763 /nfs/dbraw/zinc/23/27/63/306232763.db2.gz XFYCRBSYTUWQDO-SJLPKXTDSA-N 2 1 330.476 1.704 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000557670597 306232764 /nfs/dbraw/zinc/23/27/64/306232764.db2.gz XFYCRBSYTUWQDO-SJLPKXTDSA-N 2 1 330.476 1.704 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000557670597 306232765 /nfs/dbraw/zinc/23/27/65/306232765.db2.gz XFYCRBSYTUWQDO-SJLPKXTDSA-N 2 1 330.476 1.704 20 0 EDADMP O=C(NCC[NH+]1CCCCC1)NCC[N@@H+]1CCc2sccc2C1 ZINC000054686076 214251867 /nfs/dbraw/zinc/25/18/67/214251867.db2.gz PNZJXPXJNDLLCC-UHFFFAOYSA-N 2 1 336.505 1.891 20 0 EDADMP O=C(NCC[NH+]1CCCCC1)NCC[N@H+]1CCc2sccc2C1 ZINC000054686076 214251869 /nfs/dbraw/zinc/25/18/69/214251869.db2.gz PNZJXPXJNDLLCC-UHFFFAOYSA-N 2 1 336.505 1.891 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000174964321 231355981 /nfs/dbraw/zinc/35/59/81/231355981.db2.gz ZBMFABKYOLKUIX-SFHVURJKSA-N 2 1 347.503 1.982 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000174964321 231355984 /nfs/dbraw/zinc/35/59/84/231355984.db2.gz ZBMFABKYOLKUIX-SFHVURJKSA-N 2 1 347.503 1.982 20 0 EDADMP CC[C@@]1(CO)CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000187569234 529550188 /nfs/dbraw/zinc/55/01/88/529550188.db2.gz FGWGVBFCBLPALL-GOSISDBHSA-N 2 1 325.497 1.460 20 0 EDADMP CCC(CC)[C@@H](C(=O)N[C@H](C)C[NH+](CC)CC)[NH+]1CCOCC1 ZINC000359282085 282224707 /nfs/dbraw/zinc/22/47/07/282224707.db2.gz DQBQPMPABDXFQH-WBVHZDCISA-N 2 1 327.513 1.970 20 0 EDADMP CCC(CC)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000359803068 282252336 /nfs/dbraw/zinc/25/23/36/282252336.db2.gz UPNVAHGNEDSBHN-DJIMGWMZSA-N 2 1 325.497 1.532 20 0 EDADMP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H](C)C1 ZINC000559051357 306249826 /nfs/dbraw/zinc/24/98/26/306249826.db2.gz GQYQHVKVDQVIPK-SQWLQELKSA-N 2 1 348.495 1.358 20 0 EDADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H](C)C1 ZINC000559051357 306249827 /nfs/dbraw/zinc/24/98/27/306249827.db2.gz GQYQHVKVDQVIPK-SQWLQELKSA-N 2 1 348.495 1.358 20 0 EDADMP CCC[C@H](C)S(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000559238061 306251877 /nfs/dbraw/zinc/25/18/77/306251877.db2.gz CPUDWDABKYRWFW-HOTGVXAUSA-N 2 1 333.542 1.853 20 0 EDADMP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC(=O)N1C ZINC000330192570 539507853 /nfs/dbraw/zinc/50/78/53/539507853.db2.gz NVXISXYVLHNKQU-WFXMFSGNSA-N 2 1 345.491 1.525 20 0 EDADMP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC(=O)N1C ZINC000330192570 539507860 /nfs/dbraw/zinc/50/78/60/539507860.db2.gz NVXISXYVLHNKQU-WFXMFSGNSA-N 2 1 345.491 1.525 20 0 EDADMP CC(C)[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000101977881 219178254 /nfs/dbraw/zinc/17/82/54/219178254.db2.gz YJOGLKZRDUNIMC-HUUCEWRRSA-N 2 1 328.501 1.514 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000101977881 219178256 /nfs/dbraw/zinc/17/82/56/219178256.db2.gz YJOGLKZRDUNIMC-HUUCEWRRSA-N 2 1 328.501 1.514 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000435622580 539567226 /nfs/dbraw/zinc/56/72/26/539567226.db2.gz SDAFZWVPGDQOJC-PMPSAXMXSA-N 2 1 326.485 1.079 20 0 EDADMP CC[NH+]1CCC(CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000561152343 306282929 /nfs/dbraw/zinc/28/29/29/306282929.db2.gz AZIPFLLTXHFGDN-QGZVFWFLSA-N 2 1 331.464 1.469 20 0 EDADMP C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)([NH+](C)C)C1 ZINC000332826897 539607900 /nfs/dbraw/zinc/60/79/00/539607900.db2.gz LPGSWXAXPYZKMP-JFIYKMOQSA-N 2 1 339.528 1.042 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000103115699 219256700 /nfs/dbraw/zinc/25/67/00/219256700.db2.gz FFZNFNVSJWIOPT-UHFFFAOYSA-N 2 1 344.503 1.358 20 0 EDADMP CC1(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000561188384 306284062 /nfs/dbraw/zinc/28/40/62/306284062.db2.gz DNSWAEIKDFRIHT-HOTGVXAUSA-N 2 1 338.496 1.319 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000412427696 304007396 /nfs/dbraw/zinc/00/73/96/304007396.db2.gz RDASEQZWMWZJDD-OWYHZJEWSA-N 2 1 343.471 1.296 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000561210226 306284834 /nfs/dbraw/zinc/28/48/34/306284834.db2.gz XRNMTUQHKJPYDV-QGZVFWFLSA-N 2 1 348.495 1.003 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000561210226 306284835 /nfs/dbraw/zinc/28/48/35/306284835.db2.gz XRNMTUQHKJPYDV-QGZVFWFLSA-N 2 1 348.495 1.003 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C(C)(C)C[NH+](C)C ZINC000458522764 299158725 /nfs/dbraw/zinc/15/87/25/299158725.db2.gz PPPITKOLZQLIPL-GJZGRUSLSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)CC[N@H+]2CCCC[C@H]2C)C[C@@H](C)O1 ZINC000339233779 539701245 /nfs/dbraw/zinc/70/12/45/539701245.db2.gz KNRPOIQARUHHRA-BRWVUGGUSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)C(C)(C)C[NH+](C)C ZINC000090610863 299159918 /nfs/dbraw/zinc/15/99/18/299159918.db2.gz OMKQJNDCOBFDRK-ARFHVFGLSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)C(C)(C)C[NH+](C)C ZINC000090610863 299159922 /nfs/dbraw/zinc/15/99/22/299159922.db2.gz OMKQJNDCOBFDRK-ARFHVFGLSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000151063544 539735852 /nfs/dbraw/zinc/73/58/52/539735852.db2.gz CQAYQTAAUDSUQK-RYRKJORJSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000151063544 539735854 /nfs/dbraw/zinc/73/58/54/539735854.db2.gz CQAYQTAAUDSUQK-RYRKJORJSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000151063544 539735857 /nfs/dbraw/zinc/73/58/57/539735857.db2.gz CQAYQTAAUDSUQK-RYRKJORJSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000151063544 539735859 /nfs/dbraw/zinc/73/58/59/539735859.db2.gz CQAYQTAAUDSUQK-RYRKJORJSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000561978874 306291869 /nfs/dbraw/zinc/29/18/69/306291869.db2.gz NWWGSJNIRSXEPU-INIZCTEOSA-N 2 1 348.491 1.033 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NCCC[NH+]2CCc3ccccc3C2)[N@@H+](C)C1 ZINC000343728317 539795609 /nfs/dbraw/zinc/79/56/09/539795609.db2.gz UPPGQMLYHIGACN-ROUUACIJSA-N 2 1 331.460 1.270 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[NH+](C)C1 ZINC000343728317 539795613 /nfs/dbraw/zinc/79/56/13/539795613.db2.gz UPPGQMLYHIGACN-ROUUACIJSA-N 2 1 331.460 1.270 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NCCC[N@H+]2CCc3ccccc3C2)[NH+](C)C1 ZINC000343728317 539795617 /nfs/dbraw/zinc/79/56/17/539795617.db2.gz UPPGQMLYHIGACN-ROUUACIJSA-N 2 1 331.460 1.270 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000104077635 219345381 /nfs/dbraw/zinc/34/53/81/219345381.db2.gz RRICOHJNAPENHO-YESZJQIVSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000343732752 539796210 /nfs/dbraw/zinc/79/62/10/539796210.db2.gz JAWZXRLSLKDOOT-QYZOEREBSA-N 2 1 345.487 1.659 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000343732752 539796213 /nfs/dbraw/zinc/79/62/13/539796213.db2.gz JAWZXRLSLKDOOT-QYZOEREBSA-N 2 1 345.487 1.659 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]1C[C@H](OC)C[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000343732752 539796218 /nfs/dbraw/zinc/79/62/18/539796218.db2.gz JAWZXRLSLKDOOT-QYZOEREBSA-N 2 1 345.487 1.659 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]1C[C@H](OC)C[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000343732752 539796220 /nfs/dbraw/zinc/79/62/20/539796220.db2.gz JAWZXRLSLKDOOT-QYZOEREBSA-N 2 1 345.487 1.659 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)C1 ZINC000562789701 306308965 /nfs/dbraw/zinc/30/89/65/306308965.db2.gz OJQFNJMBSPYAOG-WQANXHIZSA-N 2 1 342.487 1.936 20 0 EDADMP CC(C)[C@H](C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000563082903 306318102 /nfs/dbraw/zinc/31/81/02/306318102.db2.gz VMDKXOJNCJIJNX-HKUYNNGSSA-N 2 1 346.519 1.886 20 0 EDADMP CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166216643 540077363 /nfs/dbraw/zinc/07/73/63/540077363.db2.gz ZSXDEZFWMZYQOL-IAGOWNOFSA-N 2 1 331.460 1.870 20 0 EDADMP CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166216643 540077367 /nfs/dbraw/zinc/07/73/67/540077367.db2.gz ZSXDEZFWMZYQOL-IAGOWNOFSA-N 2 1 331.460 1.870 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1)N1CCOCC1 ZINC000563271313 306325723 /nfs/dbraw/zinc/32/57/23/306325723.db2.gz PQOCHOXGCUOEOE-SFHVURJKSA-N 2 1 343.471 1.403 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@H]2C1 ZINC000348586150 283087026 /nfs/dbraw/zinc/08/70/26/283087026.db2.gz DTFVBXYTKCBVMS-SQNIBIBYSA-N 2 1 335.492 1.715 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@H]2C1 ZINC000348586150 283087030 /nfs/dbraw/zinc/08/70/30/283087030.db2.gz DTFVBXYTKCBVMS-SQNIBIBYSA-N 2 1 335.492 1.715 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@H]2C1 ZINC000348586150 283087033 /nfs/dbraw/zinc/08/70/33/283087033.db2.gz DTFVBXYTKCBVMS-SQNIBIBYSA-N 2 1 335.492 1.715 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(F)cc1 ZINC000371107513 283125328 /nfs/dbraw/zinc/12/53/28/283125328.db2.gz FOYGYBLVPYHFLQ-IRXDYDNUSA-N 2 1 334.439 1.964 20 0 EDADMP C[C@H](C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1)[NH+]1CC(C)C1 ZINC000563381009 306330844 /nfs/dbraw/zinc/33/08/44/306330844.db2.gz JIDGUPNZMSIQCX-GDBMZVCRSA-N 2 1 335.448 1.267 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000360169056 283165885 /nfs/dbraw/zinc/16/58/85/283165885.db2.gz CHCPLIVLAVXZHB-MRXNPFEDSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000360169056 283165886 /nfs/dbraw/zinc/16/58/86/283165886.db2.gz CHCPLIVLAVXZHB-MRXNPFEDSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000360169056 283165890 /nfs/dbraw/zinc/16/58/90/283165890.db2.gz CHCPLIVLAVXZHB-MRXNPFEDSA-N 2 1 340.512 1.071 20 0 EDADMP C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)C1 ZINC000344009557 291111458 /nfs/dbraw/zinc/11/14/58/291111458.db2.gz BAONBTUPUJLSDU-IRXDYDNUSA-N 2 1 326.529 1.306 20 0 EDADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccnc(C(C)C)n2)CC1 ZINC000110128058 138306879 /nfs/dbraw/zinc/30/68/79/138306879.db2.gz CURLGYVDWIQCAA-UHFFFAOYSA-N 2 1 333.480 1.981 20 0 EDADMP C[C@H]1CCC[N@H+](CCCCNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000123798497 138321370 /nfs/dbraw/zinc/32/13/70/138321370.db2.gz PILSOVLNVIVJTJ-KRWDZBQOSA-N 2 1 340.512 1.520 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000123798497 138321371 /nfs/dbraw/zinc/32/13/71/138321371.db2.gz PILSOVLNVIVJTJ-KRWDZBQOSA-N 2 1 340.512 1.520 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000563609783 306341826 /nfs/dbraw/zinc/34/18/26/306341826.db2.gz ZRBMJFODFHAEHB-QAPCUYQASA-N 2 1 346.475 1.316 20 0 EDADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCc4nnnn4CC3)CC2)cc1 ZINC000563615760 306342149 /nfs/dbraw/zinc/34/21/49/306342149.db2.gz IIWQYYPGBCRERY-KRWDZBQOSA-N 2 1 340.475 1.675 20 0 EDADMP CN(C)C(=O)C[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000133475584 138394031 /nfs/dbraw/zinc/39/40/31/138394031.db2.gz RLVOOSFPTFBSSN-QGZVFWFLSA-N 2 1 345.491 1.004 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000564326355 306358404 /nfs/dbraw/zinc/35/84/04/306358404.db2.gz LCGZTSMAWZMEKB-RCCFBDPRSA-N 2 1 328.460 1.504 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000564564751 306360939 /nfs/dbraw/zinc/36/09/39/306360939.db2.gz PUSOMLWDYKXABH-GOSISDBHSA-N 2 1 334.460 1.789 20 0 EDADMP COC(=O)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+](C)C1 ZINC000413902432 304086826 /nfs/dbraw/zinc/08/68/26/304086826.db2.gz NMODQOHREMCHLD-HNNXBMFYSA-N 2 1 339.480 1.062 20 0 EDADMP COC(=O)c1cnc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000414156255 304103379 /nfs/dbraw/zinc/10/33/79/304103379.db2.gz UNGOVULTKKMKAR-LBPRGKRZSA-N 2 1 340.493 1.606 20 0 EDADMP COC(=O)c1cnc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000414156255 304103382 /nfs/dbraw/zinc/10/33/82/304103382.db2.gz UNGOVULTKKMKAR-LBPRGKRZSA-N 2 1 340.493 1.606 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccn(C)n3)CC2)CC1 ZINC000565494092 306385332 /nfs/dbraw/zinc/38/53/32/306385332.db2.gz YZRRQJXQFAYETP-UHFFFAOYSA-N 2 1 347.507 1.275 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000565753246 306390699 /nfs/dbraw/zinc/39/06/99/306390699.db2.gz QXEPIDMVWQTCJH-LBTNJELSSA-N 2 1 330.476 1.671 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000565753246 306390700 /nfs/dbraw/zinc/39/07/00/306390700.db2.gz QXEPIDMVWQTCJH-LBTNJELSSA-N 2 1 330.476 1.671 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000565753246 306390701 /nfs/dbraw/zinc/39/07/01/306390701.db2.gz QXEPIDMVWQTCJH-LBTNJELSSA-N 2 1 330.476 1.671 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000565753246 306390702 /nfs/dbraw/zinc/39/07/02/306390702.db2.gz QXEPIDMVWQTCJH-LBTNJELSSA-N 2 1 330.476 1.671 20 0 EDADMP CC(C)C[C@@H]([NH3+])CN1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000414694349 304128450 /nfs/dbraw/zinc/12/84/50/304128450.db2.gz NGBFLZYHNURSCA-QZTJIDSGSA-N 2 1 326.529 1.087 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000414699519 304129438 /nfs/dbraw/zinc/12/94/38/304129438.db2.gz INRZOKYIPHIIKJ-CQSZACIVSA-N 2 1 332.448 1.335 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)C1 ZINC000414712684 304131538 /nfs/dbraw/zinc/13/15/38/304131538.db2.gz NVWMXZVHTLOCOD-IEBWSBKVSA-N 2 1 345.487 1.457 20 0 EDADMP CC[N@H+](Cc1ccc(OC)cc1OC)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414732372 304134232 /nfs/dbraw/zinc/13/42/32/304134232.db2.gz AAMLGWDWBUKOPK-OAHLLOKOSA-N 2 1 349.475 1.723 20 0 EDADMP CC[C@H]1CN(c2ccccc2)CC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414750096 304137126 /nfs/dbraw/zinc/13/71/26/304137126.db2.gz ZIVOCFIGXYTDME-ROUUACIJSA-N 2 1 344.503 1.785 20 0 EDADMP CN1CCN(c2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2)CC1 ZINC000414773669 304139480 /nfs/dbraw/zinc/13/94/80/304139480.db2.gz DQRIAHJDCWCIEV-QZTJIDSGSA-N 2 1 344.507 1.050 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2)CC1 ZINC000414773669 304139481 /nfs/dbraw/zinc/13/94/81/304139481.db2.gz DQRIAHJDCWCIEV-QZTJIDSGSA-N 3 1 344.507 1.050 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2)CC1 ZINC000414773669 304139482 /nfs/dbraw/zinc/13/94/82/304139482.db2.gz DQRIAHJDCWCIEV-QZTJIDSGSA-N 3 1 344.507 1.050 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)[C@H](C)[NH3+] ZINC000415021371 304151380 /nfs/dbraw/zinc/15/13/80/304151380.db2.gz ULTHKRMQDIQNKE-UONOGXRCSA-N 2 1 341.883 1.876 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000415028660 304152210 /nfs/dbraw/zinc/15/22/10/304152210.db2.gz CXCBBAHLPOIOOV-DUVNUKRYSA-N 2 1 330.432 1.197 20 0 EDADMP CCOc1cc(C[N@H+](C)C[C@@H](O)C[NH3+])cc(Br)c1OC ZINC000415055409 304155192 /nfs/dbraw/zinc/15/51/92/304155192.db2.gz MWUGUALLTJVUAD-NSHDSACASA-N 2 1 347.253 1.608 20 0 EDADMP CCOc1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc(Br)c1OC ZINC000415055409 304155193 /nfs/dbraw/zinc/15/51/93/304155193.db2.gz MWUGUALLTJVUAD-NSHDSACASA-N 2 1 347.253 1.608 20 0 EDADMP CCC[NH2+]CCNC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000415063128 304155931 /nfs/dbraw/zinc/15/59/31/304155931.db2.gz NXPSPQQUBRJZNG-INIZCTEOSA-N 2 1 347.463 1.257 20 0 EDADMP CCC[NH2+]CCNC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000415063128 304155932 /nfs/dbraw/zinc/15/59/32/304155932.db2.gz NXPSPQQUBRJZNG-INIZCTEOSA-N 2 1 347.463 1.257 20 0 EDADMP COC(=O)[C@@]12CCC[C@H]1C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000375595589 284240254 /nfs/dbraw/zinc/24/02/54/284240254.db2.gz FNPXHRKYIDSDTR-PKOBYXMFSA-N 2 1 337.508 1.678 20 0 EDADMP Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000195519131 139019281 /nfs/dbraw/zinc/01/92/81/139019281.db2.gz ZWNQVBFHAJSXAW-UHFFFAOYSA-N 2 1 346.475 1.323 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236599461 139026775 /nfs/dbraw/zinc/02/67/75/139026775.db2.gz MXOCOYSQRVVRIV-TWMKSMIVSA-N 2 1 327.513 1.952 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236599461 139026776 /nfs/dbraw/zinc/02/67/76/139026776.db2.gz MXOCOYSQRVVRIV-TWMKSMIVSA-N 2 1 327.513 1.952 20 0 EDADMP CCC(CC)(C[NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000236701732 139029106 /nfs/dbraw/zinc/02/91/06/139029106.db2.gz AHHBCCCKMXAZLD-MRXNPFEDSA-N 2 1 347.507 1.473 20 0 EDADMP CC[C@H](NC(=O)C[NH2+]CCOC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237002705 139037841 /nfs/dbraw/zinc/03/78/41/139037841.db2.gz FSXFUHAUUJUNJV-ROUUACIJSA-N 2 1 349.475 1.018 20 0 EDADMP CC[C@H](NC(=O)C[NH2+]CCOC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237002705 139037842 /nfs/dbraw/zinc/03/78/42/139037842.db2.gz FSXFUHAUUJUNJV-ROUUACIJSA-N 2 1 349.475 1.018 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000237192711 139043557 /nfs/dbraw/zinc/04/35/57/139043557.db2.gz SKFDSISPTBJSML-SFHVURJKSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000237299740 139046933 /nfs/dbraw/zinc/04/69/33/139046933.db2.gz XQYQENVIKVVTKM-KRWDZBQOSA-N 2 1 332.492 1.118 20 0 EDADMP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)C[C@H](C)O1 ZINC000237606500 139055413 /nfs/dbraw/zinc/05/54/13/139055413.db2.gz MQXDRIIMYUVTHH-LZWOXQAQSA-N 2 1 341.521 1.387 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)C[C@H](C)O1 ZINC000237606500 139055414 /nfs/dbraw/zinc/05/54/14/139055414.db2.gz MQXDRIIMYUVTHH-LZWOXQAQSA-N 2 1 341.521 1.387 20 0 EDADMP C[C@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CCC[NH2+]C1 ZINC000237623947 139056101 /nfs/dbraw/zinc/05/61/01/139056101.db2.gz ITGSDASVBGUTPQ-APWZRJJASA-N 2 1 344.459 1.465 20 0 EDADMP C[C@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CCC[NH2+]C1 ZINC000237623947 139056102 /nfs/dbraw/zinc/05/61/02/139056102.db2.gz ITGSDASVBGUTPQ-APWZRJJASA-N 2 1 344.459 1.465 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@]3(C)CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000237631868 139056467 /nfs/dbraw/zinc/05/64/67/139056467.db2.gz ADGULIBNJCPSSE-GQIGUUNPSA-N 2 1 345.487 1.912 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[C@H]3[NH3+])CC2)cs1 ZINC000237723350 139058698 /nfs/dbraw/zinc/05/86/98/139058698.db2.gz RIKRGVZRESJIQL-JKSUJKDBSA-N 2 1 336.505 1.907 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000237801854 139060749 /nfs/dbraw/zinc/06/07/49/139060749.db2.gz RZCLKDCAMXMYAQ-UHFFFAOYSA-N 2 1 349.523 1.964 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415239268 304177608 /nfs/dbraw/zinc/17/76/08/304177608.db2.gz NVEUZJBRNFODKD-KGLIPLIRSA-N 2 1 334.464 1.881 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC[C@H]1CCC[NH2+]C1 ZINC000238131114 139069395 /nfs/dbraw/zinc/06/93/95/139069395.db2.gz JQHDRFWHUUYQGF-GOSISDBHSA-N 2 1 344.503 1.310 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000567683262 306459008 /nfs/dbraw/zinc/45/90/08/306459008.db2.gz KPDBLULBVSZJTI-OAHLLOKOSA-N 2 1 344.415 1.106 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000567718492 306460799 /nfs/dbraw/zinc/46/07/99/306460799.db2.gz BZMDKNIEMBRZKC-BQFCYCMXSA-N 2 1 339.524 1.968 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000246297357 139102980 /nfs/dbraw/zinc/10/29/80/139102980.db2.gz BRKJZJLSSFZAEP-ZWKOTPCHSA-N 2 1 339.524 1.972 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)s1 ZINC000246501975 139111137 /nfs/dbraw/zinc/11/11/37/139111137.db2.gz SPKCGVHEKPPAIU-MBNYWOFBSA-N 2 1 345.534 1.653 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000246709250 139118039 /nfs/dbraw/zinc/11/80/39/139118039.db2.gz ZJSCLJNZKWALDP-DLBZAZTESA-N 2 1 338.496 1.225 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246808475 139122376 /nfs/dbraw/zinc/12/23/76/139122376.db2.gz FCGLRTUOBLIUSA-PKOBYXMFSA-N 2 1 348.487 1.990 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246894313 139125807 /nfs/dbraw/zinc/12/58/07/139125807.db2.gz CEBGWVFGJMRBKE-IEBWSBKVSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246894313 139125808 /nfs/dbraw/zinc/12/58/08/139125808.db2.gz CEBGWVFGJMRBKE-IEBWSBKVSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246894313 139125809 /nfs/dbraw/zinc/12/58/09/139125809.db2.gz CEBGWVFGJMRBKE-IEBWSBKVSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246894313 139125810 /nfs/dbraw/zinc/12/58/10/139125810.db2.gz CEBGWVFGJMRBKE-IEBWSBKVSA-N 2 1 343.471 1.488 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000247118102 139136447 /nfs/dbraw/zinc/13/64/47/139136447.db2.gz FMYIXEDNQCQMFJ-SJLPKXTDSA-N 2 1 334.460 1.903 20 0 EDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)c2C1 ZINC000415377143 304208214 /nfs/dbraw/zinc/20/82/14/304208214.db2.gz ZXSDVTDMRKRPLH-ZFWWWQNUSA-N 2 1 344.459 1.545 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)ccc1Cl ZINC000415386117 304211092 /nfs/dbraw/zinc/21/10/92/304211092.db2.gz WODCYQFMGMQKGN-CYBMUJFWSA-N 2 1 338.839 1.208 20 0 EDADMP COc1ccccc1CCNC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248119440 139158392 /nfs/dbraw/zinc/15/83/92/139158392.db2.gz NDZHKMFXAMATNA-QZTJIDSGSA-N 2 1 345.487 1.770 20 0 EDADMP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000248886473 139179268 /nfs/dbraw/zinc/17/92/68/139179268.db2.gz QOVJCYMVCKWUJM-KSZLIROESA-N 2 1 331.460 1.664 20 0 EDADMP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000248886473 139179269 /nfs/dbraw/zinc/17/92/69/139179269.db2.gz QOVJCYMVCKWUJM-KSZLIROESA-N 2 1 331.460 1.664 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000249142520 139187374 /nfs/dbraw/zinc/18/73/74/139187374.db2.gz ZODCRHZKEXVGFJ-QKPAOTATSA-N 2 1 333.476 1.895 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000261633975 139213039 /nfs/dbraw/zinc/21/30/39/139213039.db2.gz CIXLPJYQDAASBA-CYBMUJFWSA-N 2 1 327.375 1.575 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C[C@H]1c1ccccc1 ZINC000261691821 139217946 /nfs/dbraw/zinc/21/79/46/139217946.db2.gz JDBGBHSQFUTCOI-NZSAHSFTSA-N 2 1 343.471 1.441 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C[C@H]1c1ccccc1 ZINC000261691821 139217947 /nfs/dbraw/zinc/21/79/47/139217947.db2.gz JDBGBHSQFUTCOI-NZSAHSFTSA-N 2 1 343.471 1.441 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccc(NC(N)=O)cc1 ZINC000261857186 139231838 /nfs/dbraw/zinc/23/18/38/139231838.db2.gz BTTOOBMONVEUGU-SJWGOKEGSA-N 2 1 332.448 1.985 20 0 EDADMP Clc1cccnc1OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261912158 139236356 /nfs/dbraw/zinc/23/63/56/139236356.db2.gz JDTLCIDFKPHAKI-BPLDGKMQSA-N 2 1 325.840 1.861 20 0 EDADMP O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262031928 139245223 /nfs/dbraw/zinc/24/52/23/139245223.db2.gz XQIAVAKWNAUKRX-GVDBMIGSSA-N 2 1 347.459 1.631 20 0 EDADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262029135 139244904 /nfs/dbraw/zinc/24/49/04/139244904.db2.gz XJMCINRQANOBOQ-QRVBRYPASA-N 2 1 345.487 1.678 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc(Cl)c1OC ZINC000262091013 139250295 /nfs/dbraw/zinc/25/02/95/139250295.db2.gz HAFPFHCGKZPAKG-CQSZACIVSA-N 2 1 339.867 1.837 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc(Cl)c1OC ZINC000262091013 139250296 /nfs/dbraw/zinc/25/02/96/139250296.db2.gz HAFPFHCGKZPAKG-CQSZACIVSA-N 2 1 339.867 1.837 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000262112393 139251872 /nfs/dbraw/zinc/25/18/72/139251872.db2.gz WOCSCBCQBSHXSZ-OAHLLOKOSA-N 2 1 333.432 1.277 20 0 EDADMP c1cc(OC[C@H]2CCCO2)ccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262110091 139251635 /nfs/dbraw/zinc/25/16/35/139251635.db2.gz KEKLWSWIMGTDBV-UYAOXDASSA-N 2 1 345.487 1.724 20 0 EDADMP COc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc(OC)c1 ZINC000262141092 139254459 /nfs/dbraw/zinc/25/44/59/139254459.db2.gz ZCHSFKBGALTYDY-OAHLLOKOSA-N 2 1 335.448 1.523 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417012432 251130901 /nfs/dbraw/zinc/13/09/01/251130901.db2.gz AMPDAVIMYACXCN-HKUYNNGSSA-N 2 1 342.487 1.686 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417013588 251132979 /nfs/dbraw/zinc/13/29/79/251132979.db2.gz YUCLVOWXZCEZSG-RDJZCZTQSA-N 2 1 330.476 1.814 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417015107 251133007 /nfs/dbraw/zinc/13/30/07/251133007.db2.gz DZNKUVKVPLUFNB-YJBOKZPZSA-N 2 1 330.476 1.875 20 0 EDADMP COCC1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000262320105 139269790 /nfs/dbraw/zinc/26/97/90/139269790.db2.gz CHIILIGSPFOTKX-SFHVURJKSA-N 2 1 345.487 1.783 20 0 EDADMP CC[C@H](CNC(=O)N1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417021607 251136148 /nfs/dbraw/zinc/13/61/48/251136148.db2.gz UIGNVDLQRLIKQG-QZTJIDSGSA-N 2 1 330.476 1.956 20 0 EDADMP CCCN(C(=O)NCC[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000416997395 251122671 /nfs/dbraw/zinc/12/26/71/251122671.db2.gz AARJBYROPULWEN-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417089887 251140598 /nfs/dbraw/zinc/14/05/98/251140598.db2.gz SGWMYQDQAVFFEU-CEXWTWQISA-N 2 1 342.487 1.902 20 0 EDADMP COC[C@]1(CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000417321958 251159810 /nfs/dbraw/zinc/15/98/10/251159810.db2.gz DRPPQGBUQRJXFC-YQQAZPJKSA-N 2 1 326.485 1.175 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417556628 251186943 /nfs/dbraw/zinc/18/69/43/251186943.db2.gz PAPQWJLCNSKUNP-ZIAGYGMSSA-N 2 1 332.439 1.937 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3C[C@H](C[NH3+])C[C@H]3C)CC2)[nH+]1 ZINC000417700474 251234113 /nfs/dbraw/zinc/23/41/13/251234113.db2.gz MJKIKTVUAHWGKT-CABCVRRESA-N 2 1 331.464 1.738 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3C[C@H](C[NH3+])C[C@@H]3C)CC2)[nH+]1 ZINC000417700475 251234528 /nfs/dbraw/zinc/23/45/28/251234528.db2.gz MJKIKTVUAHWGKT-GJZGRUSLSA-N 2 1 331.464 1.738 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)CC2)[nH+]1 ZINC000417703466 251234640 /nfs/dbraw/zinc/23/46/40/251234640.db2.gz QZCZGMBTPFXEKO-KRWDZBQOSA-N 2 1 343.475 1.895 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000417719164 251241265 /nfs/dbraw/zinc/24/12/65/251241265.db2.gz WLPLUCZMXNLZQD-QZTJIDSGSA-N 2 1 348.491 1.830 20 0 EDADMP C[NH2+]CCCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417728158 251245417 /nfs/dbraw/zinc/24/54/17/251245417.db2.gz JVQXKROHMAGWAE-INIZCTEOSA-N 2 1 333.480 1.106 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H](C[NH3+])C3CC3)CC2)nc(C)[nH+]1 ZINC000417835305 251289942 /nfs/dbraw/zinc/28/99/42/251289942.db2.gz NQDVFYNEXITHPX-HNNXBMFYSA-N 2 1 332.452 1.099 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417833762 251290925 /nfs/dbraw/zinc/29/09/25/251290925.db2.gz URDZFLWFRIUCIZ-ZTFGCOKTSA-N 2 1 330.476 1.934 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000417835399 251290941 /nfs/dbraw/zinc/29/09/41/251290941.db2.gz VZNGRJUJLVNDEG-KBAYOESNSA-N 2 1 330.476 1.900 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NCCC[NH2+]C3CC3)CC2)nc(C)[nH+]1 ZINC000417841523 251293598 /nfs/dbraw/zinc/29/35/98/251293598.db2.gz GCZOYYFVOJOKBH-UHFFFAOYSA-N 2 1 346.479 1.504 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000417843341 251293856 /nfs/dbraw/zinc/29/38/56/251293856.db2.gz GZKCJPNSJAIPNX-GOSISDBHSA-N 2 1 332.423 1.764 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)[C@H](C)[NH3+] ZINC000418080484 251321302 /nfs/dbraw/zinc/32/13/02/251321302.db2.gz RVGCTGCPPKXACV-LZWOXQAQSA-N 2 1 336.505 1.639 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)[C@H](C)[NH3+] ZINC000418080484 251321307 /nfs/dbraw/zinc/32/13/07/251321307.db2.gz RVGCTGCPPKXACV-LZWOXQAQSA-N 2 1 336.505 1.639 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418108805 251324193 /nfs/dbraw/zinc/32/41/93/251324193.db2.gz SDWSEUOWZAPNJJ-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418426400 251368546 /nfs/dbraw/zinc/36/85/46/251368546.db2.gz LWLGGXLKWBRLIL-KURKYZTESA-N 2 1 348.491 1.294 20 0 EDADMP CC[NH2+]CCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418318285 251359746 /nfs/dbraw/zinc/35/97/46/251359746.db2.gz OXNNOJFOUVNPGZ-ZWKOTPCHSA-N 2 1 330.476 1.759 20 0 EDADMP C[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)CN1CC[NH+](C)CC1 ZINC000262648060 139293042 /nfs/dbraw/zinc/29/30/42/139293042.db2.gz POJYULKXRLXLKM-RYRKJORJSA-N 2 1 332.492 1.322 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)[C@@H]3C)cc2F)CC1 ZINC000262718470 139298764 /nfs/dbraw/zinc/29/87/64/139298764.db2.gz FCQVVPIHUQBUFX-GJZGRUSLSA-N 2 1 348.466 1.790 20 0 EDADMP COc1ccc([C@H](NC[C@@H]2CCCC[N@H+]2CCO)[C@H]2CCC[NH2+]2)cc1 ZINC000423148825 252038197 /nfs/dbraw/zinc/03/81/97/252038197.db2.gz WOXMXSNBXXHEOV-SXLOBPIMSA-N 2 1 347.503 1.925 20 0 EDADMP C[C@@H](C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1)[C@H](C)[NH3+] ZINC000423735709 252067755 /nfs/dbraw/zinc/06/77/55/252067755.db2.gz RZCGOBYJOVQLEK-CVEARBPZSA-N 2 1 334.464 1.116 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C[C@H]1c1ccccc1F ZINC000424024903 252117867 /nfs/dbraw/zinc/11/78/67/252117867.db2.gz IAEIMTZGQWMHOB-OUCADQQQSA-N 2 1 327.350 1.324 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)[C@@H](C)[NH3+] ZINC000423791138 252075871 /nfs/dbraw/zinc/07/58/71/252075871.db2.gz GYDNUUWLQHMGBF-NJAFHUGGSA-N 2 1 332.492 1.981 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000423802839 252080929 /nfs/dbraw/zinc/08/09/29/252080929.db2.gz VPYPGYBDVLIYNZ-NXHRZFHOSA-N 2 1 330.476 1.750 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000424147756 252143915 /nfs/dbraw/zinc/14/39/15/252143915.db2.gz SDISUQKYHDZMEZ-XHSDSOJGSA-N 2 1 330.432 1.139 20 0 EDADMP C[N@@H+](CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)Cc1ccccc1 ZINC000424155639 252146713 /nfs/dbraw/zinc/14/67/13/252146713.db2.gz NGGPLGLHAREMOU-MRXNPFEDSA-N 2 1 342.447 1.064 20 0 EDADMP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424181141 252154680 /nfs/dbraw/zinc/15/46/80/252154680.db2.gz WYJZZLZLGRRFBG-LBPRGKRZSA-N 2 1 343.406 1.914 20 0 EDADMP COCc1ccc(CNC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424301715 252191915 /nfs/dbraw/zinc/19/19/15/252191915.db2.gz YDOBZSVKQCXWRM-MRXNPFEDSA-N 2 1 345.487 1.913 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424449940 252236198 /nfs/dbraw/zinc/23/61/98/252236198.db2.gz UYDGGFUIPWGZRT-AWEZNQCLSA-N 2 1 332.448 1.335 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424475021 252244098 /nfs/dbraw/zinc/24/40/98/252244098.db2.gz YJOBUWOBBMBQOG-AWEZNQCLSA-N 2 1 334.464 1.629 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000111865162 285022090 /nfs/dbraw/zinc/02/20/90/285022090.db2.gz IEYMBNFBFHQOSP-SJORKVTESA-N 2 1 338.496 1.367 20 0 EDADMP CCCOc1c(Cl)cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263128085 139323873 /nfs/dbraw/zinc/32/38/73/139323873.db2.gz BKPLRKZESRXKQM-JSGCOSHPSA-N 2 1 328.840 1.807 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)C1 ZINC000361469766 285055205 /nfs/dbraw/zinc/05/52/05/285055205.db2.gz NKZFCLUVFBWAIO-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000265524406 285058704 /nfs/dbraw/zinc/05/87/04/285058704.db2.gz IGWJEYZUALGGOD-ZWKOTPCHSA-N 2 1 348.491 1.618 20 0 EDADMP CC[NH+]1CCC([NH2+][C@H]2CCC(=O)N(C3CC3)[C@@H]2c2cncn2C)CC1 ZINC000344861495 285192197 /nfs/dbraw/zinc/19/21/97/285192197.db2.gz ZGHXGGQRBWHESJ-LPHOPBHVSA-N 2 1 345.491 1.689 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354985840 285201193 /nfs/dbraw/zinc/20/11/93/285201193.db2.gz UBXYOEWHIHTCRG-AEFFLSMTSA-N 2 1 336.524 1.488 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000263696173 139353615 /nfs/dbraw/zinc/35/36/15/139353615.db2.gz AKMHKVYRTBZECR-ZDUSSCGKSA-N 2 1 328.482 1.228 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361351759 285237062 /nfs/dbraw/zinc/23/70/62/285237062.db2.gz BQZZJKPZRIJJCJ-RBUKOAKNSA-N 2 1 330.472 1.949 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000487277492 255028679 /nfs/dbraw/zinc/02/86/79/255028679.db2.gz GGEWPRXOCWCAGU-HOSILWTGSA-N 2 1 339.480 1.974 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CO)[C@@H]2C)CC1 ZINC000488798253 255055114 /nfs/dbraw/zinc/05/51/14/255055114.db2.gz JNHSQFAFOALEDE-HKUYNNGSSA-N 2 1 345.487 1.342 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)[C@@H]2C)CC1 ZINC000488798253 255055115 /nfs/dbraw/zinc/05/51/15/255055115.db2.gz JNHSQFAFOALEDE-HKUYNNGSSA-N 2 1 345.487 1.342 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccnn1C ZINC000421757189 285245937 /nfs/dbraw/zinc/24/59/37/285245937.db2.gz MHNXJFMMRWZZQH-JKSUJKDBSA-N 2 1 335.496 1.398 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](OC)C1 ZINC000249015605 285246069 /nfs/dbraw/zinc/24/60/69/285246069.db2.gz JHFLVELHHJSODI-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496473836 255396125 /nfs/dbraw/zinc/39/61/25/255396125.db2.gz KVLCWIMUZLVUKN-KRWDZBQOSA-N 2 1 325.453 1.042 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496473836 255396126 /nfs/dbraw/zinc/39/61/26/255396126.db2.gz KVLCWIMUZLVUKN-KRWDZBQOSA-N 2 1 325.453 1.042 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000496255518 255371136 /nfs/dbraw/zinc/37/11/36/255371136.db2.gz NLBRPDLDMIYNGY-AWEZNQCLSA-N 2 1 326.441 1.170 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000496255518 255371137 /nfs/dbraw/zinc/37/11/37/255371137.db2.gz NLBRPDLDMIYNGY-AWEZNQCLSA-N 2 1 326.441 1.170 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCOC1(C)C ZINC000458959097 285278499 /nfs/dbraw/zinc/27/84/99/285278499.db2.gz UETHYTCTTWXEPB-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH+]1CCC(CCO)(NC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000416190994 304295167 /nfs/dbraw/zinc/29/51/67/304295167.db2.gz NWNADRSRIGFYTD-UHFFFAOYSA-N 2 1 345.487 1.398 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC000416256688 304300842 /nfs/dbraw/zinc/30/08/42/304300842.db2.gz ZIOUPHWVQYMACA-KRWDZBQOSA-N 2 1 333.476 1.906 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000271172546 140250668 /nfs/dbraw/zinc/25/06/68/140250668.db2.gz FNAFNJZMJWBEMQ-KRWDZBQOSA-N 2 1 326.444 1.906 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000271172546 140250670 /nfs/dbraw/zinc/25/06/70/140250670.db2.gz FNAFNJZMJWBEMQ-KRWDZBQOSA-N 2 1 326.444 1.906 20 0 EDADMP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000416304833 304307750 /nfs/dbraw/zinc/30/77/50/304307750.db2.gz IFMGPXQANKKQAL-JKSUJKDBSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000416304833 304307752 /nfs/dbraw/zinc/30/77/52/304307752.db2.gz IFMGPXQANKKQAL-JKSUJKDBSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000331602726 141055087 /nfs/dbraw/zinc/05/50/87/141055087.db2.gz ZTDKNWTVFKNCFD-RBSFLKMASA-N 2 1 336.432 1.570 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccc3c(c2)OCO3)CC[N@H+]1C ZINC000331602726 141055088 /nfs/dbraw/zinc/05/50/88/141055088.db2.gz ZTDKNWTVFKNCFD-RBSFLKMASA-N 2 1 336.432 1.570 20 0 EDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2ccc3c(c2)OCO3)CC[NH+]1C ZINC000331602726 141055089 /nfs/dbraw/zinc/05/50/89/141055089.db2.gz ZTDKNWTVFKNCFD-RBSFLKMASA-N 2 1 336.432 1.570 20 0 EDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2ccc3c(c2)OCO3)CC[NH+]1C ZINC000331602726 141055090 /nfs/dbraw/zinc/05/50/90/141055090.db2.gz ZTDKNWTVFKNCFD-RBSFLKMASA-N 2 1 336.432 1.570 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C[C@H](C)O1 ZINC000333350085 141303749 /nfs/dbraw/zinc/30/37/49/141303749.db2.gz JJXOSOWXCCICCH-NPJQDHAYSA-N 2 1 338.496 1.253 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C[C@H](C)O1 ZINC000333350085 141303751 /nfs/dbraw/zinc/30/37/51/141303751.db2.gz JJXOSOWXCCICCH-NPJQDHAYSA-N 2 1 338.496 1.253 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000333634363 141348120 /nfs/dbraw/zinc/34/81/20/141348120.db2.gz SYRAAIUMJGOAOW-SJORKVTESA-N 2 1 338.496 1.272 20 0 EDADMP [NH3+]CC1(CC(=O)NC2CCC([NH+]3CCNCC3)CC2)CCCCC1 ZINC000333664708 141352616 /nfs/dbraw/zinc/35/26/16/141352616.db2.gz XMCGPJXQOPNWBA-UHFFFAOYSA-N 2 1 336.524 1.618 20 0 EDADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333687073 141357991 /nfs/dbraw/zinc/35/79/91/141357991.db2.gz PJMXUKXWENRQBR-FUHWJXTLSA-N 2 1 345.491 1.830 20 0 EDADMP c1csc(-c2noc(C[N@@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)n2)c1 ZINC000333846107 141393284 /nfs/dbraw/zinc/39/32/84/141393284.db2.gz MGWWEATUMKHKOH-OLZOCXBDSA-N 2 1 346.456 1.999 20 0 EDADMP c1csc(-c2noc(C[N@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)n2)c1 ZINC000333846107 141393286 /nfs/dbraw/zinc/39/32/86/141393286.db2.gz MGWWEATUMKHKOH-OLZOCXBDSA-N 2 1 346.456 1.999 20 0 EDADMP CCOC1(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCC1 ZINC000339477142 142055465 /nfs/dbraw/zinc/05/54/65/142055465.db2.gz UISIYDSFQBBJAI-UHFFFAOYSA-N 2 1 333.480 1.667 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cn2cc[nH+]c12 ZINC000340325230 142342243 /nfs/dbraw/zinc/34/22/43/142342243.db2.gz QYTGMQIMTKAEOH-HIFRSBDPSA-N 2 1 343.431 1.522 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cn2cc[nH+]c12 ZINC000340325230 142342244 /nfs/dbraw/zinc/34/22/44/142342244.db2.gz QYTGMQIMTKAEOH-HIFRSBDPSA-N 2 1 343.431 1.522 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000346118233 143169593 /nfs/dbraw/zinc/16/95/93/143169593.db2.gz BBIONSSNSRFSIF-GOSISDBHSA-N 2 1 330.476 1.409 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCc2cccc(C[NH+](C)C)c2)[N@@H+](C)C1 ZINC000346366554 143197151 /nfs/dbraw/zinc/19/71/51/143197151.db2.gz DEJQAZSRSXWSOI-QZTJIDSGSA-N 2 1 348.491 1.609 20 0 EDADMP COc1ccsc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346645535 143225665 /nfs/dbraw/zinc/22/56/65/143225665.db2.gz DTURTFVXGUXEMQ-KGLIPLIRSA-N 2 1 337.489 1.837 20 0 EDADMP CCC1(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCOCC1 ZINC000346694176 143232861 /nfs/dbraw/zinc/23/28/61/143232861.db2.gz SINZENMGXAAFRC-SJORKVTESA-N 2 1 337.508 1.773 20 0 EDADMP C(CC[NH+]1CCOCC1)Cc1nc(CC2=[NH+][C@H]3CCCC[C@@H]3N2)no1 ZINC000346935556 143263415 /nfs/dbraw/zinc/26/34/15/143263415.db2.gz KIJFIOJFKQPAKD-GJZGRUSLSA-N 2 1 347.463 1.580 20 0 EDADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1)c1ccccc1 ZINC000347184499 143292263 /nfs/dbraw/zinc/29/22/63/143292263.db2.gz DIBAURDFUAVSIL-PKOBYXMFSA-N 2 1 347.503 1.985 20 0 EDADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)o1 ZINC000347183516 143292285 /nfs/dbraw/zinc/29/22/85/143292285.db2.gz XLDDOMKNRRYOGA-AWEZNQCLSA-N 2 1 349.431 1.100 20 0 EDADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000347273440 143302680 /nfs/dbraw/zinc/30/26/80/143302680.db2.gz QWLGSTIFWWDZCB-QXAKKESOSA-N 2 1 346.519 1.205 20 0 EDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000347273440 143302681 /nfs/dbraw/zinc/30/26/81/143302681.db2.gz QWLGSTIFWWDZCB-QXAKKESOSA-N 2 1 346.519 1.205 20 0 EDADMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369812512 155187380 /nfs/dbraw/zinc/18/73/80/155187380.db2.gz ALDUOOVZURFFAA-GJZGRUSLSA-N 2 1 331.464 1.762 20 0 EDADMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000369812512 155187383 /nfs/dbraw/zinc/18/73/83/155187383.db2.gz ALDUOOVZURFFAA-GJZGRUSLSA-N 2 1 331.464 1.762 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000416788016 304349235 /nfs/dbraw/zinc/34/92/35/304349235.db2.gz HKNTWRFJUNXQDZ-DLBZAZTESA-N 2 1 338.496 1.272 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000353099536 149285948 /nfs/dbraw/zinc/28/59/48/149285948.db2.gz WEGFHSLCKHBJLP-JKSUJKDBSA-N 2 1 338.496 1.148 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NCCC[NH3+])cc2)C[C@H](C)O1 ZINC000416972683 304358329 /nfs/dbraw/zinc/35/83/29/304358329.db2.gz SKFCREQUCDULSE-GASCZTMLSA-N 2 1 334.464 1.444 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)C1 ZINC000369952970 155250554 /nfs/dbraw/zinc/25/05/54/155250554.db2.gz WJOQXLBSNJPIEL-GOSISDBHSA-N 2 1 337.508 1.678 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)C1 ZINC000369952970 155250556 /nfs/dbraw/zinc/25/05/56/155250556.db2.gz WJOQXLBSNJPIEL-GOSISDBHSA-N 2 1 337.508 1.678 20 0 EDADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH+](C2CCOCC2)CC1 ZINC000355040292 150087484 /nfs/dbraw/zinc/08/74/84/150087484.db2.gz NSDKZGJMZMAJJO-DLBZAZTESA-N 2 1 336.480 1.119 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)cn2)CC1 ZINC000355126996 150128182 /nfs/dbraw/zinc/12/81/82/150128182.db2.gz AIUNDQQLQANXAS-DLBZAZTESA-N 2 1 331.464 1.229 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]4COCC[C@H]43)cn2)CC1 ZINC000355126996 150128183 /nfs/dbraw/zinc/12/81/83/150128183.db2.gz AIUNDQQLQANXAS-DLBZAZTESA-N 2 1 331.464 1.229 20 0 EDADMP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000355501837 150294432 /nfs/dbraw/zinc/29/44/32/150294432.db2.gz CZBLYFOEWKBIBI-IIAWOOMASA-N 2 1 349.479 1.034 20 0 EDADMP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000355501837 150294437 /nfs/dbraw/zinc/29/44/37/150294437.db2.gz CZBLYFOEWKBIBI-IIAWOOMASA-N 2 1 349.479 1.034 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)N[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000417031465 304363018 /nfs/dbraw/zinc/36/30/18/304363018.db2.gz XLMLIYXBWVEIFL-ZWKOTPCHSA-N 2 1 345.491 1.026 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)N[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000417031465 304363019 /nfs/dbraw/zinc/36/30/19/304363019.db2.gz XLMLIYXBWVEIFL-ZWKOTPCHSA-N 2 1 345.491 1.026 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417034023 304363733 /nfs/dbraw/zinc/36/37/33/304363733.db2.gz RPPCQLMWOQJFAR-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000417037020 304364167 /nfs/dbraw/zinc/36/41/67/304364167.db2.gz ICQUMKNYJYWCOT-GOSISDBHSA-N 2 1 347.507 1.403 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417044099 304365396 /nfs/dbraw/zinc/36/53/96/304365396.db2.gz MTGQQVGBGHTGCD-KRWDZBQOSA-N 2 1 339.528 1.221 20 0 EDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000573783628 306633664 /nfs/dbraw/zinc/63/36/64/306633664.db2.gz VWDPMYMNLRKDKT-ZBFHGGJFSA-N 2 1 337.489 1.847 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)C1 ZINC000357506618 151051339 /nfs/dbraw/zinc/05/13/39/151051339.db2.gz ZJCUEKOFGWLEST-HOTGVXAUSA-N 2 1 333.432 1.731 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)C1 ZINC000357506618 151051340 /nfs/dbraw/zinc/05/13/40/151051340.db2.gz ZJCUEKOFGWLEST-HOTGVXAUSA-N 2 1 333.432 1.731 20 0 EDADMP COC(=O)c1cn([C@H]2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)nn1 ZINC000358027147 151239013 /nfs/dbraw/zinc/23/90/13/151239013.db2.gz VDBJURFSTXWGEB-GJZGRUSLSA-N 2 1 335.452 1.576 20 0 EDADMP COC(=O)c1cn([C@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)nn1 ZINC000358027147 151239014 /nfs/dbraw/zinc/23/90/14/151239014.db2.gz VDBJURFSTXWGEB-GJZGRUSLSA-N 2 1 335.452 1.576 20 0 EDADMP COC(=O)c1cn([C@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000358027147 151239015 /nfs/dbraw/zinc/23/90/15/151239015.db2.gz VDBJURFSTXWGEB-GJZGRUSLSA-N 2 1 335.452 1.576 20 0 EDADMP COC(=O)c1cn([C@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC000358027147 151239017 /nfs/dbraw/zinc/23/90/17/151239017.db2.gz VDBJURFSTXWGEB-GJZGRUSLSA-N 2 1 335.452 1.576 20 0 EDADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000358072735 151259006 /nfs/dbraw/zinc/25/90/06/151259006.db2.gz ZCZJKWLJVIRJFW-INIZCTEOSA-N 2 1 349.475 1.468 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)C2CCN(CC(F)F)CC2)C[C@H](C)O1 ZINC000358081723 151263584 /nfs/dbraw/zinc/26/35/84/151263584.db2.gz LXPIWJARIRAHRS-OKILXGFUSA-N 2 1 347.450 1.579 20 0 EDADMP C[C@@H]1CN(CCCNC(=O)C2CCN(CC(F)F)CC2)C[C@H](C)O1 ZINC000358081723 151263585 /nfs/dbraw/zinc/26/35/85/151263585.db2.gz LXPIWJARIRAHRS-OKILXGFUSA-N 2 1 347.450 1.579 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000358105656 151272762 /nfs/dbraw/zinc/27/27/62/151272762.db2.gz OXJRARSUEGNCRL-IRXDYDNUSA-N 2 1 336.524 1.393 20 0 EDADMP CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358505554 151398948 /nfs/dbraw/zinc/39/89/48/151398948.db2.gz JZWYOUPLSRUXHI-UHFFFAOYSA-N 2 1 344.459 1.402 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417112638 304373190 /nfs/dbraw/zinc/37/31/90/304373190.db2.gz LNVSULOAVYSTHN-HRCADAONSA-N 2 1 348.491 1.703 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417112638 304373192 /nfs/dbraw/zinc/37/31/92/304373192.db2.gz LNVSULOAVYSTHN-HRCADAONSA-N 2 1 348.491 1.703 20 0 EDADMP CN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000360748589 152185097 /nfs/dbraw/zinc/18/50/97/152185097.db2.gz XBJQJAFMEFPMBA-HOCLYGCPSA-N 2 1 326.510 1.302 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000361173307 152326552 /nfs/dbraw/zinc/32/65/52/152326552.db2.gz FKZIZQXXKWTYLQ-OTWHNJEPSA-N 3 1 340.556 1.349 20 0 EDADMP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000363585315 153005801 /nfs/dbraw/zinc/00/58/01/153005801.db2.gz IQLHUHGEMQGFAM-FGTMMUONSA-N 2 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363585315 153005802 /nfs/dbraw/zinc/00/58/02/153005802.db2.gz IQLHUHGEMQGFAM-FGTMMUONSA-N 2 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000363585315 153005804 /nfs/dbraw/zinc/00/58/04/153005804.db2.gz IQLHUHGEMQGFAM-FGTMMUONSA-N 2 1 336.524 1.251 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1ncnc2c1CN(C)CC2 ZINC000363589871 153007606 /nfs/dbraw/zinc/00/76/06/153007606.db2.gz WOCAITXTESASFA-VYDXJSESSA-N 2 1 345.491 1.766 20 0 EDADMP Cc1n[nH]c(C2CCN(CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000363684293 153028418 /nfs/dbraw/zinc/02/84/18/153028418.db2.gz XOKGZUYDSLFWCS-UHFFFAOYSA-N 2 1 348.495 1.282 20 0 EDADMP CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)NCC[NH2+]C(C)(C)C)C1 ZINC000363906253 153092586 /nfs/dbraw/zinc/09/25/86/153092586.db2.gz OGVUNXIIPUGOMA-UHFFFAOYSA-N 2 1 346.475 1.507 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c4ccccc34)C2)CC1 ZINC000364205785 153173271 /nfs/dbraw/zinc/17/32/71/153173271.db2.gz HYEZQMWBPPZCQF-MRXNPFEDSA-N 2 1 340.471 1.995 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)Cc3c[nH]c4ccccc34)C2)CC1 ZINC000364205785 153173274 /nfs/dbraw/zinc/17/32/74/153173274.db2.gz HYEZQMWBPPZCQF-MRXNPFEDSA-N 2 1 340.471 1.995 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000364349440 153212808 /nfs/dbraw/zinc/21/28/08/153212808.db2.gz AIBUUNYNMVLJBY-QZWWFDLISA-N 2 1 328.497 1.641 20 0 EDADMP CN1CC[C@@H](C[N@@H+](C)C[C@@H](O)Cn2cccn2)[C@@H]1c1cccnc1 ZINC000364692692 153304902 /nfs/dbraw/zinc/30/49/02/153304902.db2.gz ACEXOHNKJDVYPB-KSZLIROESA-N 2 1 329.448 1.264 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000364705440 153310532 /nfs/dbraw/zinc/31/05/32/153310532.db2.gz HYUGHLVHTOTJIE-JKSUJKDBSA-N 2 1 333.480 1.865 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000364705440 153310534 /nfs/dbraw/zinc/31/05/34/153310534.db2.gz HYUGHLVHTOTJIE-JKSUJKDBSA-N 2 1 333.480 1.865 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417264727 304388616 /nfs/dbraw/zinc/38/86/16/304388616.db2.gz ANHLTAJBSRDPNO-HUUCEWRRSA-N 2 1 334.464 1.396 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417264727 304388617 /nfs/dbraw/zinc/38/86/17/304388617.db2.gz ANHLTAJBSRDPNO-HUUCEWRRSA-N 2 1 334.464 1.396 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000369567591 155091887 /nfs/dbraw/zinc/09/18/87/155091887.db2.gz UBRGRMDUIOFLKB-OWCLPIDISA-N 2 1 331.464 1.506 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000369655627 155121785 /nfs/dbraw/zinc/12/17/85/155121785.db2.gz HTNKXMJDESNHSU-OWSLCNJRSA-N 2 1 334.508 1.844 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000369655627 155121786 /nfs/dbraw/zinc/12/17/86/155121786.db2.gz HTNKXMJDESNHSU-OWSLCNJRSA-N 2 1 334.508 1.844 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000369655627 155121788 /nfs/dbraw/zinc/12/17/88/155121788.db2.gz HTNKXMJDESNHSU-OWSLCNJRSA-N 2 1 334.508 1.844 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000575027438 306662839 /nfs/dbraw/zinc/66/28/39/306662839.db2.gz OIZJYLILWYADNJ-GDBMZVCRSA-N 2 1 332.448 1.493 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000341084857 292349316 /nfs/dbraw/zinc/34/93/16/292349316.db2.gz KBWLEYAJWCWULI-GOEBONIOSA-N 2 1 326.485 1.269 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000378113192 158081266 /nfs/dbraw/zinc/08/12/66/158081266.db2.gz FYJRDKJQTKFJMQ-CABCVRRESA-N 2 1 333.480 1.934 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000378113192 158081268 /nfs/dbraw/zinc/08/12/68/158081268.db2.gz FYJRDKJQTKFJMQ-CABCVRRESA-N 2 1 333.480 1.934 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CC[C@@H]21 ZINC000378185608 158102996 /nfs/dbraw/zinc/10/29/96/158102996.db2.gz RGQWJQMVEZLYME-MSOLQXFVSA-N 2 1 349.519 1.964 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCC[C@@H]3C)CC2)C1 ZINC000378196575 158105403 /nfs/dbraw/zinc/10/54/03/158105403.db2.gz NOQLPZQLMVGEHP-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000378196575 158105407 /nfs/dbraw/zinc/10/54/07/158105407.db2.gz NOQLPZQLMVGEHP-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000378196575 158105408 /nfs/dbraw/zinc/10/54/08/158105408.db2.gz NOQLPZQLMVGEHP-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP C[N@@H+](C[C@@H](O)Cn1cccn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378535468 158202797 /nfs/dbraw/zinc/20/27/97/158202797.db2.gz GAULKMOFNBIYQA-GOSISDBHSA-N 2 1 329.448 1.487 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352526593 162230505 /nfs/dbraw/zinc/23/05/05/162230505.db2.gz PLFACYIKVMSJBH-UHFFFAOYSA-N 2 1 349.523 1.906 20 0 EDADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000168784488 226223551 /nfs/dbraw/zinc/22/35/51/226223551.db2.gz MEAUALILEQNVGT-KKGYMGPXSA-N 2 1 329.444 1.021 20 0 EDADMP COC1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000169002225 226229523 /nfs/dbraw/zinc/22/95/23/226229523.db2.gz CPTHGLQNNMNJRG-KRWDZBQOSA-N 2 1 331.460 1.536 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418397734 304490950 /nfs/dbraw/zinc/49/09/50/304490950.db2.gz JQUCRVMLPQIVGA-GOSISDBHSA-N 2 1 345.491 1.187 20 0 EDADMP [NH3+]CC1(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCCC1 ZINC000238057646 273014058 /nfs/dbraw/zinc/01/40/58/273014058.db2.gz QCMMZTCDVDMOJD-UHFFFAOYSA-N 2 1 331.460 1.654 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)NCC[NH+](CC)CC)C1 ZINC000283006251 273756817 /nfs/dbraw/zinc/75/68/17/273756817.db2.gz AAJGFNCPUINZCA-OAHLLOKOSA-N 2 1 349.479 1.067 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC3(CC2)OCc2ccccc23)CC1 ZINC000374919998 273893043 /nfs/dbraw/zinc/89/30/43/273893043.db2.gz ZCFINHNGNCPQFF-UHFFFAOYSA-N 2 1 343.471 1.672 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)[NH+](C)C1 ZINC000284611398 274263580 /nfs/dbraw/zinc/26/35/80/274263580.db2.gz BESJBTQAYWRLMP-NJAFHUGGSA-N 2 1 333.476 1.684 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)[NH+](C)C1 ZINC000284611398 274263581 /nfs/dbraw/zinc/26/35/81/274263581.db2.gz BESJBTQAYWRLMP-NJAFHUGGSA-N 2 1 333.476 1.684 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H](C)[NH+](C)Cc2ccccc2)[N@H+](C)C1 ZINC000284611398 274263583 /nfs/dbraw/zinc/26/35/83/274263583.db2.gz BESJBTQAYWRLMP-NJAFHUGGSA-N 2 1 333.476 1.684 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H](C)[NH+](C)Cc2ccccc2)[N@@H+](C)C1 ZINC000284611398 274263585 /nfs/dbraw/zinc/26/35/85/274263585.db2.gz BESJBTQAYWRLMP-NJAFHUGGSA-N 2 1 333.476 1.684 20 0 EDADMP O=C1[C@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Cl)c1 ZINC000420348183 275029859 /nfs/dbraw/zinc/02/98/59/275029859.db2.gz KAHHAQQXSRQSHK-IAGOWNOFSA-N 2 1 348.878 1.425 20 0 EDADMP O=C1[C@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Cl)c1 ZINC000420348183 275029860 /nfs/dbraw/zinc/02/98/60/275029860.db2.gz KAHHAQQXSRQSHK-IAGOWNOFSA-N 2 1 348.878 1.425 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659855700 452738514 /nfs/dbraw/zinc/73/85/14/452738514.db2.gz JQYIPSZJNPIFHN-XWTMOSNGSA-N 2 1 327.513 1.261 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)CN1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659855700 452738522 /nfs/dbraw/zinc/73/85/22/452738522.db2.gz JQYIPSZJNPIFHN-XWTMOSNGSA-N 2 1 327.513 1.261 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)CN1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659855700 452738534 /nfs/dbraw/zinc/73/85/34/452738534.db2.gz JQYIPSZJNPIFHN-XWTMOSNGSA-N 2 1 327.513 1.261 20 0 EDADMP CC(C)[C@]1(CO)CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000378137904 276039523 /nfs/dbraw/zinc/03/95/23/276039523.db2.gz TTYBBDNUASQZMW-GOSISDBHSA-N 2 1 333.480 1.069 20 0 EDADMP CC(C)[C@]1(CO)CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000378137904 276039525 /nfs/dbraw/zinc/03/95/25/276039525.db2.gz TTYBBDNUASQZMW-GOSISDBHSA-N 2 1 333.480 1.069 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363302512 276101386 /nfs/dbraw/zinc/10/13/86/276101386.db2.gz JEFMMPOVSXOTBD-HZPDHXFCSA-N 2 1 343.537 1.119 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000245670146 276185922 /nfs/dbraw/zinc/18/59/22/276185922.db2.gz FHJPAXVXBHDNDQ-MSOLQXFVSA-N 2 1 332.492 1.943 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2nncn2c1 ZINC000101670937 276370816 /nfs/dbraw/zinc/37/08/16/276370816.db2.gz YGTVRMRSFCHFRZ-MRXNPFEDSA-N 2 1 344.463 1.217 20 0 EDADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000358003224 276384304 /nfs/dbraw/zinc/38/43/04/276384304.db2.gz NFFDUZKTOLGIJT-DLBZAZTESA-N 2 1 341.544 1.288 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000358003224 276384305 /nfs/dbraw/zinc/38/43/05/276384305.db2.gz NFFDUZKTOLGIJT-DLBZAZTESA-N 2 1 341.544 1.288 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000358003224 276384306 /nfs/dbraw/zinc/38/43/06/276384306.db2.gz NFFDUZKTOLGIJT-DLBZAZTESA-N 2 1 341.544 1.288 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)n1 ZINC000156226770 276764283 /nfs/dbraw/zinc/76/42/83/276764283.db2.gz JJMGSYXZPMVMLZ-CYBMUJFWSA-N 2 1 334.424 1.462 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000359390821 277092196 /nfs/dbraw/zinc/09/21/96/277092196.db2.gz NJBOGCNJWHZFJG-SJLPKXTDSA-N 2 1 328.460 1.921 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000359390821 277092198 /nfs/dbraw/zinc/09/21/98/277092198.db2.gz NJBOGCNJWHZFJG-SJLPKXTDSA-N 2 1 328.460 1.921 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000359390821 277092199 /nfs/dbraw/zinc/09/21/99/277092199.db2.gz NJBOGCNJWHZFJG-SJLPKXTDSA-N 2 1 328.460 1.921 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000359390821 277092200 /nfs/dbraw/zinc/09/22/00/277092200.db2.gz NJBOGCNJWHZFJG-SJLPKXTDSA-N 2 1 328.460 1.921 20 0 EDADMP CNC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H]1c1cnn(C)c1 ZINC000346876843 277245572 /nfs/dbraw/zinc/24/55/72/277245572.db2.gz MLGKUFJBOOYWMS-GVDBMIGSSA-N 2 1 333.480 1.056 20 0 EDADMP CNC(=O)[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1c1cnn(C)c1 ZINC000346876843 277245573 /nfs/dbraw/zinc/24/55/73/277245573.db2.gz MLGKUFJBOOYWMS-GVDBMIGSSA-N 2 1 333.480 1.056 20 0 EDADMP CNC(=O)[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1c1cnn(C)c1 ZINC000346876843 277245574 /nfs/dbraw/zinc/24/55/74/277245574.db2.gz MLGKUFJBOOYWMS-GVDBMIGSSA-N 2 1 333.480 1.056 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000341882619 277396665 /nfs/dbraw/zinc/39/66/65/277396665.db2.gz JGRAGHUZRXPPLS-IAGOWNOFSA-N 2 1 325.497 1.439 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCSCC2)C1 ZINC000344496247 277396715 /nfs/dbraw/zinc/39/67/15/277396715.db2.gz QMYUMRGBFBKKMP-JKSUJKDBSA-N 2 1 327.538 1.908 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCSCC2)C1 ZINC000344496247 277396716 /nfs/dbraw/zinc/39/67/16/277396716.db2.gz QMYUMRGBFBKKMP-JKSUJKDBSA-N 2 1 327.538 1.908 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCCC1 ZINC000362885373 278210362 /nfs/dbraw/zinc/21/03/62/278210362.db2.gz ONTWADBWVRWYPN-DLBZAZTESA-N 2 1 336.524 1.536 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCCC1 ZINC000362885373 278210363 /nfs/dbraw/zinc/21/03/63/278210363.db2.gz ONTWADBWVRWYPN-DLBZAZTESA-N 2 1 336.524 1.536 20 0 EDADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1(C(=O)OC)CCC1 ZINC000423525215 288034508 /nfs/dbraw/zinc/03/45/08/288034508.db2.gz XXOMEWOEPSKQNB-JCYILVPMSA-N 2 1 337.508 1.914 20 0 EDADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000261984261 288067554 /nfs/dbraw/zinc/06/75/54/288067554.db2.gz RYOVRQTVXQRMSE-IGKNDFSCSA-N 2 1 339.524 1.621 20 0 EDADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000339573814 279104929 /nfs/dbraw/zinc/10/49/29/279104929.db2.gz FPLDIZXUWUIUJK-INIZCTEOSA-N 2 1 340.512 1.071 20 0 EDADMP CC[NH+](CC)CCNC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000105069588 279105816 /nfs/dbraw/zinc/10/58/16/279105816.db2.gz FIHOPGGMPDTXEK-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+](CC)CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000170900730 279106782 /nfs/dbraw/zinc/10/67/82/279106782.db2.gz FRYRWNKBRSEFTN-GOSISDBHSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000351002533 279155378 /nfs/dbraw/zinc/15/53/78/279155378.db2.gz OCQJWJHFSUJDAC-OWCLPIDISA-N 2 1 340.512 1.212 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]([NH+](C)CCO)[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000356046217 279204326 /nfs/dbraw/zinc/20/43/26/279204326.db2.gz MQOGLKWUGMLBDT-NUJGCVRESA-N 2 1 333.476 1.420 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]([N@H+](C)CCO)[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000356046217 279204327 /nfs/dbraw/zinc/20/43/27/279204327.db2.gz MQOGLKWUGMLBDT-NUJGCVRESA-N 2 1 333.476 1.420 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCO)[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000356046217 279204329 /nfs/dbraw/zinc/20/43/29/279204329.db2.gz MQOGLKWUGMLBDT-NUJGCVRESA-N 2 1 333.476 1.420 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000345102515 279265628 /nfs/dbraw/zinc/26/56/28/279265628.db2.gz HHJFAOWIKSFOCG-KZNAEPCWSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000372576966 279301268 /nfs/dbraw/zinc/30/12/68/279301268.db2.gz WIXLWOSLTSHMRN-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358110051 279316351 /nfs/dbraw/zinc/31/63/51/279316351.db2.gz JZBBCVLPJXMCFO-ZACQAIPSSA-N 2 1 337.508 1.724 20 0 EDADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000163105331 279358888 /nfs/dbraw/zinc/35/88/88/279358888.db2.gz XODBRUZQHQXYAR-FJIDUMEYSA-N 2 1 338.540 1.638 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000163105331 279358893 /nfs/dbraw/zinc/35/88/93/279358893.db2.gz XODBRUZQHQXYAR-FJIDUMEYSA-N 2 1 338.540 1.638 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000163105331 279358897 /nfs/dbraw/zinc/35/88/97/279358897.db2.gz XODBRUZQHQXYAR-FJIDUMEYSA-N 2 1 338.540 1.638 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000262268312 279384314 /nfs/dbraw/zinc/38/43/14/279384314.db2.gz MSXIRGYHQKZATP-UHFFFAOYSA-N 2 1 333.476 1.899 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000262074117 280057478 /nfs/dbraw/zinc/05/74/78/280057478.db2.gz BWWGVTBXKFPMBQ-JZXOWHBKSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000262074117 280057480 /nfs/dbraw/zinc/05/74/80/280057480.db2.gz BWWGVTBXKFPMBQ-JZXOWHBKSA-N 2 1 331.460 1.486 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000353793280 280071097 /nfs/dbraw/zinc/07/10/97/280071097.db2.gz JICWDOIPTZZENM-KURKYZTESA-N 2 1 336.524 1.249 20 0 EDADMP C[C@H]1[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)CC[N@H+]1Cc1ccccc1 ZINC000333496663 280117085 /nfs/dbraw/zinc/11/70/85/280117085.db2.gz CWDNJNRZKYRNIO-DOTOQJQBSA-N 2 1 344.459 1.033 20 0 EDADMP CC(C)[C@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000047884355 280245368 /nfs/dbraw/zinc/24/53/68/280245368.db2.gz HYKCQDZWRNDOGP-KRWDZBQOSA-N 2 1 340.512 1.515 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2C)C1 ZINC000287965282 288369275 /nfs/dbraw/zinc/36/92/75/288369275.db2.gz IYSAXBMPAMDNDC-INIZCTEOSA-N 2 1 349.479 1.031 20 0 EDADMP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)n(C)c1C ZINC000291233535 289023004 /nfs/dbraw/zinc/02/30/04/289023004.db2.gz PZGYJWFQUBPMGU-OAHLLOKOSA-N 2 1 337.464 1.447 20 0 EDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292255480 289299162 /nfs/dbraw/zinc/29/91/62/289299162.db2.gz SISRHVLXFHQDOR-OAHLLOKOSA-N 2 1 333.476 1.886 20 0 EDADMP C[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000111631074 289356606 /nfs/dbraw/zinc/35/66/06/289356606.db2.gz HSWAAWSCBUDDMX-DLBZAZTESA-N 2 1 332.492 1.259 20 0 EDADMP C[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000111631074 289356607 /nfs/dbraw/zinc/35/66/07/289356607.db2.gz HSWAAWSCBUDDMX-DLBZAZTESA-N 2 1 332.492 1.259 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000246582146 290042139 /nfs/dbraw/zinc/04/21/39/290042139.db2.gz VRNJBLMJVYQJNS-RTBURBONSA-N 2 1 344.503 1.624 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000246582146 290042142 /nfs/dbraw/zinc/04/21/42/290042142.db2.gz VRNJBLMJVYQJNS-RTBURBONSA-N 2 1 344.503 1.624 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000246582146 290042144 /nfs/dbraw/zinc/04/21/44/290042144.db2.gz VRNJBLMJVYQJNS-RTBURBONSA-N 2 1 344.503 1.624 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@@H]2C1 ZINC000333567186 290229768 /nfs/dbraw/zinc/22/97/68/290229768.db2.gz RLGZBMXPTNIBIK-XSWLTDPXSA-N 2 1 346.519 1.876 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000333481223 297014977 /nfs/dbraw/zinc/01/49/77/297014977.db2.gz CDUXINXLMVSHHY-YVSFHVDLSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000333481223 297014979 /nfs/dbraw/zinc/01/49/79/297014979.db2.gz CDUXINXLMVSHHY-YVSFHVDLSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000373373471 297017750 /nfs/dbraw/zinc/01/77/50/297017750.db2.gz QPQACBPHAQTLFV-JCECYMMASA-N 2 1 337.508 1.817 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000373373471 297017752 /nfs/dbraw/zinc/01/77/52/297017752.db2.gz QPQACBPHAQTLFV-JCECYMMASA-N 2 1 337.508 1.817 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000373373471 297017754 /nfs/dbraw/zinc/01/77/54/297017754.db2.gz QPQACBPHAQTLFV-JCECYMMASA-N 2 1 337.508 1.817 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000373373471 297017756 /nfs/dbraw/zinc/01/77/56/297017756.db2.gz QPQACBPHAQTLFV-JCECYMMASA-N 2 1 337.508 1.817 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000417992122 297106305 /nfs/dbraw/zinc/10/63/05/297106305.db2.gz LURFNMRSYBZANL-OLMNPRSZSA-N 2 1 346.475 1.050 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)c1 ZINC000418580413 304515296 /nfs/dbraw/zinc/51/52/96/304515296.db2.gz SSBZEFNZGDWYIX-SJLPKXTDSA-N 2 1 330.476 1.820 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C)c1Cl ZINC000294431997 303106147 /nfs/dbraw/zinc/10/61/47/303106147.db2.gz FTYRDXPSHHEUBG-ZDUSSCGKSA-N 2 1 341.887 1.562 20 0 EDADMP COC(=O)COC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000294688214 303136223 /nfs/dbraw/zinc/13/62/23/303136223.db2.gz FURLWXITYMZNBV-OAHLLOKOSA-N 2 1 336.432 1.187 20 0 EDADMP COc1nccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000295586078 303238260 /nfs/dbraw/zinc/23/82/60/303238260.db2.gz DWTRTKADZINJLH-WMZOPIPTSA-N 2 1 342.443 1.458 20 0 EDADMP Cc1cccc2nc(CNC(=O)N[C@H]3CCC[N@@H+](CCCO)C3)cn21 ZINC000297069752 303359107 /nfs/dbraw/zinc/35/91/07/303359107.db2.gz CQEDYOXCLHLMMD-HNNXBMFYSA-N 2 1 345.447 1.289 20 0 EDADMP [NH3+]CCC[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)CC1CCCC1 ZINC000352487436 303377729 /nfs/dbraw/zinc/37/77/29/303377729.db2.gz FAVKAFBXLHOCQQ-UHFFFAOYSA-N 2 1 336.480 1.692 20 0 EDADMP COC(C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)OC ZINC000372875730 447330355 /nfs/dbraw/zinc/33/03/55/447330355.db2.gz DRLDFILGYQDMJF-UHFFFAOYSA-N 2 1 327.513 1.733 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000414876153 447338497 /nfs/dbraw/zinc/33/84/97/447338497.db2.gz KCLKMJOVBKXYRU-UHFFFAOYSA-N 2 1 332.448 1.335 20 0 EDADMP Cc1nc2ccccc2n1CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000377764599 447343659 /nfs/dbraw/zinc/34/36/59/447343659.db2.gz VDDMTLXRPFNPJP-SFHVURJKSA-N 2 1 344.459 1.960 20 0 EDADMP Cc1nc2ccccc2n1CCCNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC000377764599 447343666 /nfs/dbraw/zinc/34/36/66/447343666.db2.gz VDDMTLXRPFNPJP-SFHVURJKSA-N 2 1 344.459 1.960 20 0 EDADMP CC(C)C[C@H](N[C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)NCC[NH+](C)C ZINC000423021414 304883253 /nfs/dbraw/zinc/88/32/53/304883253.db2.gz CAHFKQZYYXVXEQ-BZSNNMDCSA-N 2 1 340.556 1.979 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C12CCOCC2 ZINC000423048581 304883992 /nfs/dbraw/zinc/88/39/92/304883992.db2.gz ISDOROLTLZAZJK-OBVSXPTNSA-N 2 1 338.492 1.707 20 0 EDADMP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423100028 304886094 /nfs/dbraw/zinc/88/60/94/304886094.db2.gz BFHOBSJMPGGSAA-STQMWFEESA-N 2 1 331.869 1.396 20 0 EDADMP CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000423329406 304892572 /nfs/dbraw/zinc/89/25/72/304892572.db2.gz LMPXAXVXQNDHTP-GOSISDBHSA-N 2 1 345.487 1.913 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000423835150 304911448 /nfs/dbraw/zinc/91/14/48/304911448.db2.gz FLAZCQKDCGZQKB-DLBZAZTESA-N 2 1 344.459 1.417 20 0 EDADMP C[C@@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1C[NH3+] ZINC000430546007 305056067 /nfs/dbraw/zinc/05/60/67/305056067.db2.gz CDQILYAHBNPHPJ-MJGOQNOKSA-N 2 1 344.503 1.390 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000430610656 305058868 /nfs/dbraw/zinc/05/88/68/305058868.db2.gz LEJCFCNPDXXHBQ-LJQANCHMSA-N 2 1 344.503 1.452 20 0 EDADMP CCc1ccc(CC[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430631729 305060409 /nfs/dbraw/zinc/06/04/09/305060409.db2.gz VUQHRABFZUWWQT-LJQANCHMSA-N 2 1 329.488 1.935 20 0 EDADMP CCCc1nc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000430671851 305062060 /nfs/dbraw/zinc/06/20/60/305062060.db2.gz YITZOXJAFSZJFY-AWEZNQCLSA-N 2 1 336.505 1.739 20 0 EDADMP CCCc1nc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000430671851 305062061 /nfs/dbraw/zinc/06/20/61/305062061.db2.gz YITZOXJAFSZJFY-AWEZNQCLSA-N 2 1 336.505 1.739 20 0 EDADMP C[C@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000430873425 305066592 /nfs/dbraw/zinc/06/65/92/305066592.db2.gz SLQAPJCMCGWKTO-KXBFYZLASA-N 2 1 344.459 1.322 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000430938386 305069346 /nfs/dbraw/zinc/06/93/46/305069346.db2.gz HUBATMJYVHWILC-DZGCQCFKSA-N 2 1 335.448 1.032 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000430938386 305069347 /nfs/dbraw/zinc/06/93/47/305069347.db2.gz HUBATMJYVHWILC-DZGCQCFKSA-N 2 1 335.448 1.032 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CC[C@H](C[NH3+])C2)CC1 ZINC000430960081 305071059 /nfs/dbraw/zinc/07/10/59/305071059.db2.gz GXGDOXFCLLLTTJ-GOSISDBHSA-N 2 1 344.503 1.310 20 0 EDADMP CCC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C1CC[NH2+]CC1 ZINC000431086428 305074663 /nfs/dbraw/zinc/07/46/63/305074663.db2.gz QTSABSMCEODVIX-UHFFFAOYSA-N 2 1 332.448 1.578 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433360821 305106621 /nfs/dbraw/zinc/10/66/21/305106621.db2.gz LGOWOBLAEHFVBO-KRWDZBQOSA-N 2 1 346.519 1.752 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433387266 305107563 /nfs/dbraw/zinc/10/75/63/305107563.db2.gz GESXUYFQVBHBCB-GJZGRUSLSA-N 2 1 334.468 1.053 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433455625 305109485 /nfs/dbraw/zinc/10/94/85/305109485.db2.gz JGCUSQKVNGAEFT-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433455625 305109486 /nfs/dbraw/zinc/10/94/86/305109486.db2.gz JGCUSQKVNGAEFT-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433455625 305109487 /nfs/dbraw/zinc/10/94/87/305109487.db2.gz JGCUSQKVNGAEFT-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000433458344 305109849 /nfs/dbraw/zinc/10/98/49/305109849.db2.gz GREXYRXEVHLCBG-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000433458344 305109850 /nfs/dbraw/zinc/10/98/50/305109850.db2.gz GREXYRXEVHLCBG-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000433458344 305109851 /nfs/dbraw/zinc/10/98/51/305109851.db2.gz GREXYRXEVHLCBG-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434522042 305124037 /nfs/dbraw/zinc/12/40/37/305124037.db2.gz FHXSBHWHIMQMJN-MSOLQXFVSA-N 2 1 337.508 1.913 20 0 EDADMP CC[N@H+](CC(=O)NCc1ccc(COC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435622396 305143671 /nfs/dbraw/zinc/14/36/71/305143671.db2.gz CXDYVGBSUAFOSL-SFHVURJKSA-N 2 1 333.476 1.913 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccc(COC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435622396 305143672 /nfs/dbraw/zinc/14/36/72/305143672.db2.gz CXDYVGBSUAFOSL-SFHVURJKSA-N 2 1 333.476 1.913 20 0 EDADMP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000439839342 305202408 /nfs/dbraw/zinc/20/24/08/305202408.db2.gz FNAWJJSRETYFCQ-RBUKOAKNSA-N 2 1 348.535 1.632 20 0 EDADMP C[C@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000440988017 305215862 /nfs/dbraw/zinc/21/58/62/305215862.db2.gz XSMZITYOKGEDED-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000442760900 305229816 /nfs/dbraw/zinc/22/98/16/305229816.db2.gz AUKHAPKLFLAJHE-LSDHHAIUSA-N 2 1 344.459 1.811 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000443057029 305234459 /nfs/dbraw/zinc/23/44/59/305234459.db2.gz FBRXKZURGWOUQW-OAHLLOKOSA-N 2 1 344.459 1.813 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1)[NH+]1CCSCC1 ZINC000443804335 305241567 /nfs/dbraw/zinc/24/15/67/305241567.db2.gz CDWPLXCQRCWAAL-HZPDHXFCSA-N 2 1 341.521 1.137 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444264855 305244821 /nfs/dbraw/zinc/24/48/21/305244821.db2.gz DEYYJBPWRADHGL-IMFGXOCKSA-N 2 1 342.487 1.313 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000444376082 305247531 /nfs/dbraw/zinc/24/75/31/305247531.db2.gz RMBWHTABLDLNBJ-OAHLLOKOSA-N 2 1 345.553 1.365 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000446372859 305264078 /nfs/dbraw/zinc/26/40/78/305264078.db2.gz YDZYROPEDVKQKL-POORBHPNSA-N 2 1 337.508 1.898 20 0 EDADMP CCN1CCC([N@@H+](C)CC(O)CN(C)C2CC[NH+](CC)CC2)CC1 ZINC000447315288 305277927 /nfs/dbraw/zinc/27/79/27/305277927.db2.gz PTGOMTCOTZVHRO-UHFFFAOYSA-N 2 1 340.556 1.180 20 0 EDADMP CC[NH+]1C[C@H](C)N(C[C@@H](O)CN2C[C@H](C)[N@@H+](CC)C[C@@H]2C)C[C@H]1C ZINC000447316135 305278244 /nfs/dbraw/zinc/27/82/44/305278244.db2.gz WECARWZHNXHBFB-PJVZLEMVSA-N 2 1 340.556 1.176 20 0 EDADMP CC[NH+]1C[C@H](C)N(C[C@H](O)CN2C[C@@H](C)[N@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316135 305278245 /nfs/dbraw/zinc/27/82/45/305278245.db2.gz WECARWZHNXHBFB-PJVZLEMVSA-N 2 1 340.556 1.176 20 0 EDADMP CC[NH+]1C[C@H](C)N(C[C@H](O)CN2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316135 305278246 /nfs/dbraw/zinc/27/82/46/305278246.db2.gz WECARWZHNXHBFB-PJVZLEMVSA-N 2 1 340.556 1.176 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448262331 305295082 /nfs/dbraw/zinc/29/50/82/305295082.db2.gz WLDHFXJOTWUMDV-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448262331 305295083 /nfs/dbraw/zinc/29/50/83/305295083.db2.gz WLDHFXJOTWUMDV-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000449357459 305312461 /nfs/dbraw/zinc/31/24/61/305312461.db2.gz AOIDMKQFLZZXCF-ROUUACIJSA-N 2 1 327.432 1.481 20 0 EDADMP CO[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]1C ZINC000451563639 305353836 /nfs/dbraw/zinc/35/38/36/305353836.db2.gz JWHCWZZLYRLRFY-GVDBMIGSSA-N 2 1 346.475 1.476 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414922028 447357090 /nfs/dbraw/zinc/35/70/90/447357090.db2.gz GCDWOZOGYGKKDM-BBRMVZONSA-N 2 1 332.448 1.588 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414931803 447361748 /nfs/dbraw/zinc/36/17/48/447361748.db2.gz UZBGMQMLQAEJJH-MRXNPFEDSA-N 2 1 330.432 1.171 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000414933555 447361882 /nfs/dbraw/zinc/36/18/82/447361882.db2.gz SAAMSVXBEHAFAD-KRWDZBQOSA-N 2 1 344.459 1.431 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000414933555 447361885 /nfs/dbraw/zinc/36/18/85/447361885.db2.gz SAAMSVXBEHAFAD-KRWDZBQOSA-N 2 1 344.459 1.431 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414944410 447366954 /nfs/dbraw/zinc/36/69/54/447366954.db2.gz OAFXZLTYQUZMIM-DYVFJYSZSA-N 2 1 344.459 1.116 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)CCN(C)c2cc[nH+]cc2)C[C@H](C)O1 ZINC000543715603 306067695 /nfs/dbraw/zinc/06/76/95/306067695.db2.gz AHJAIPDDGAVCOU-HOTGVXAUSA-N 2 1 348.491 1.912 20 0 EDADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)CC3 ZINC000545899881 306087254 /nfs/dbraw/zinc/08/72/54/306087254.db2.gz JAHBAXWPNOXOJE-DJJJIMSYSA-N 2 1 329.444 1.690 20 0 EDADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)CC3 ZINC000545899881 306087255 /nfs/dbraw/zinc/08/72/55/306087255.db2.gz JAHBAXWPNOXOJE-DJJJIMSYSA-N 2 1 329.444 1.690 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@H+]([C@H]3CCc4ccccc4NC3=O)C2)nn1 ZINC000557339409 306227483 /nfs/dbraw/zinc/22/74/83/306227483.db2.gz RBDZXNOVPSBKKL-WBVHZDCISA-N 2 1 340.431 1.327 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414985503 447385194 /nfs/dbraw/zinc/38/51/94/447385194.db2.gz MXJRHIWCJLFGDV-MRXNPFEDSA-N 2 1 332.448 1.417 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000458496871 447388327 /nfs/dbraw/zinc/38/83/27/447388327.db2.gz ISHGMMGTWSNLLO-BZUAXINKSA-N 2 1 326.485 1.005 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000458529493 447401552 /nfs/dbraw/zinc/40/15/52/447401552.db2.gz XZINQBAKGMBNSW-ZBFHGGJFSA-N 2 1 328.526 1.549 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC(C[NH3+])CC3)c2C1 ZINC000415296269 447404705 /nfs/dbraw/zinc/40/47/05/447404705.db2.gz BVOKSFZFLWDAHM-UHFFFAOYSA-N 2 1 344.459 1.548 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCC(C[NH3+])CC3)c2C1 ZINC000415296269 447404711 /nfs/dbraw/zinc/40/47/11/447404711.db2.gz BVOKSFZFLWDAHM-UHFFFAOYSA-N 2 1 344.459 1.548 20 0 EDADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCCO)CC1)Cc1ccccc1 ZINC000081156150 441236774 /nfs/dbraw/zinc/23/67/74/441236774.db2.gz CQDZELGALRLKFQ-UHFFFAOYSA-N 2 1 333.476 1.329 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000081248604 441243629 /nfs/dbraw/zinc/24/36/29/441243629.db2.gz SRQFFMTYGJASFB-MSOLQXFVSA-N 2 1 331.460 1.270 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000081248604 441243632 /nfs/dbraw/zinc/24/36/32/441243632.db2.gz SRQFFMTYGJASFB-MSOLQXFVSA-N 2 1 331.460 1.270 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000081248604 441243635 /nfs/dbraw/zinc/24/36/35/441243635.db2.gz SRQFFMTYGJASFB-MSOLQXFVSA-N 2 1 331.460 1.270 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000081248604 441243638 /nfs/dbraw/zinc/24/36/38/441243638.db2.gz SRQFFMTYGJASFB-MSOLQXFVSA-N 2 1 331.460 1.270 20 0 EDADMP Cn1cc[nH+]c1CC1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000105876517 441303614 /nfs/dbraw/zinc/30/36/14/441303614.db2.gz LBPKHLJMGDMFAC-UHFFFAOYSA-N 2 1 347.463 1.395 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1(O)CCCCC1 ZINC000073243108 441304249 /nfs/dbraw/zinc/30/42/49/441304249.db2.gz LAMMMRVJVCHUPX-KRWDZBQOSA-N 2 1 339.524 1.946 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876066 441304265 /nfs/dbraw/zinc/30/42/65/441304265.db2.gz RXRXBNHJHRJQOM-CYBMUJFWSA-N 2 1 335.452 1.297 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(NC=O)cc1 ZINC000073243143 441304437 /nfs/dbraw/zinc/30/44/37/441304437.db2.gz BHFRGRZRCLRQGY-GOSISDBHSA-N 2 1 346.475 1.743 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](C)[C@H](c4ccccc4)[C@@H]3C2)C1 ZINC000074036427 441384309 /nfs/dbraw/zinc/38/43/09/441384309.db2.gz INESSEOVWDWUTR-ZSYWTGECSA-N 2 1 343.471 1.468 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](C)[C@H](c4ccccc4)[C@@H]3C2)C1 ZINC000074036427 441384311 /nfs/dbraw/zinc/38/43/11/441384311.db2.gz INESSEOVWDWUTR-ZSYWTGECSA-N 2 1 343.471 1.468 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)C1 ZINC000074036427 441384314 /nfs/dbraw/zinc/38/43/14/441384314.db2.gz INESSEOVWDWUTR-ZSYWTGECSA-N 2 1 343.471 1.468 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C2)C1 ZINC000074036427 441384317 /nfs/dbraw/zinc/38/43/17/441384317.db2.gz INESSEOVWDWUTR-ZSYWTGECSA-N 2 1 343.471 1.468 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000074102062 441392894 /nfs/dbraw/zinc/39/28/94/441392894.db2.gz FAILQRUSYJDIGC-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000074102062 441392899 /nfs/dbraw/zinc/39/28/99/441392899.db2.gz FAILQRUSYJDIGC-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000074102062 441392904 /nfs/dbraw/zinc/39/29/04/441392904.db2.gz FAILQRUSYJDIGC-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000074102062 441392905 /nfs/dbraw/zinc/39/29/05/441392905.db2.gz FAILQRUSYJDIGC-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000107328806 441409455 /nfs/dbraw/zinc/40/94/55/441409455.db2.gz PEFBHSXYRZUVCB-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000065960959 441496977 /nfs/dbraw/zinc/49/69/77/441496977.db2.gz FSNFLUNBIDBNGL-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP CC(C)C[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000065960959 441496981 /nfs/dbraw/zinc/49/69/81/441496981.db2.gz FSNFLUNBIDBNGL-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108561193 441464554 /nfs/dbraw/zinc/46/45/54/441464554.db2.gz CUPYJADLOFPAFK-ROUUACIJSA-N 2 1 332.492 1.800 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088501808 441510767 /nfs/dbraw/zinc/51/07/67/441510767.db2.gz VSYRRNPTRHPQBW-UHFFFAOYSA-N 2 1 333.436 1.948 20 0 EDADMP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)o1 ZINC000114506625 441665080 /nfs/dbraw/zinc/66/50/80/441665080.db2.gz MFAPMETWRGSFJV-WMZOPIPTSA-N 2 1 335.492 1.883 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC[C@@H]1CC(N)=O)c1ccccc1 ZINC000158273883 441716012 /nfs/dbraw/zinc/71/60/12/441716012.db2.gz LSEJJMAAUPRLII-IAGOWNOFSA-N 2 1 346.475 1.135 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CCN(CC[NH+]3CCCCC3)CC2)CC1 ZINC000077285274 441747964 /nfs/dbraw/zinc/74/79/64/441747964.db2.gz WIMPFRRTIUPPEZ-UHFFFAOYSA-N 2 1 336.524 1.348 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)NCCc3ccc(F)cc3)CC[C@@H]21 ZINC000158810601 441764517 /nfs/dbraw/zinc/76/45/17/441764517.db2.gz UNZQHUPUYRRMSZ-AEFFLSMTSA-N 2 1 333.451 1.901 20 0 EDADMP CC1CC[NH+](CC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000137550876 441774506 /nfs/dbraw/zinc/77/45/06/441774506.db2.gz QPAZHASOWUDCBA-UHFFFAOYSA-N 2 1 332.448 1.518 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)Cc1ccccc1 ZINC000158944779 441775726 /nfs/dbraw/zinc/77/57/26/441775726.db2.gz AYMBDRFTLAHWJQ-SJORKVTESA-N 2 1 335.517 1.713 20 0 EDADMP COCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000077409143 441775982 /nfs/dbraw/zinc/77/59/82/441775982.db2.gz BMNONQJGJIWYNN-UHFFFAOYSA-N 2 1 333.476 1.654 20 0 EDADMP COCC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000077409143 441775984 /nfs/dbraw/zinc/77/59/84/441775984.db2.gz BMNONQJGJIWYNN-UHFFFAOYSA-N 2 1 333.476 1.654 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NCCC3CC[NH+](C)CC3)CC2)c1 ZINC000138885576 441799186 /nfs/dbraw/zinc/79/91/86/441799186.db2.gz BRAJYTIVYPDBEM-UHFFFAOYSA-N 2 1 345.491 1.954 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](C)CC2)C1 ZINC000068830630 441858109 /nfs/dbraw/zinc/85/81/09/441858109.db2.gz JRMLGIGWIPEENH-DLBZAZTESA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](C)CC2)C1 ZINC000068830630 441858112 /nfs/dbraw/zinc/85/81/12/441858112.db2.gz JRMLGIGWIPEENH-DLBZAZTESA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](C)CC2)C1 ZINC000068830630 441858114 /nfs/dbraw/zinc/85/81/14/441858114.db2.gz JRMLGIGWIPEENH-DLBZAZTESA-N 2 1 325.497 1.581 20 0 EDADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)NCc1ccco1 ZINC000173956992 441867899 /nfs/dbraw/zinc/86/78/99/441867899.db2.gz BVOLJAATSJLKFI-UHFFFAOYSA-N 2 1 335.448 1.473 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000121995037 441826310 /nfs/dbraw/zinc/82/63/10/441826310.db2.gz KPTHSZDOXKQBMC-QGZVFWFLSA-N 2 1 346.519 1.781 20 0 EDADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@H+]1CCC[C@H](C)C1 ZINC000077774335 441856785 /nfs/dbraw/zinc/85/67/85/441856785.db2.gz VUIGHPLDTFNYAL-IRXDYDNUSA-N 3 1 341.544 1.242 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123175011 441879085 /nfs/dbraw/zinc/87/90/85/441879085.db2.gz WNPWCWAIXOOKNM-FPCVCCKLSA-N 2 1 338.496 1.805 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000174125820 441890959 /nfs/dbraw/zinc/89/09/59/441890959.db2.gz WIJKOQSOHACUIL-UHFFFAOYSA-N 2 1 325.497 1.727 20 0 EDADMP CC(C)CO[C@@H]1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000119792470 441953196 /nfs/dbraw/zinc/95/31/96/441953196.db2.gz SIJYWYPVYYRYDL-GOSISDBHSA-N 2 1 349.475 1.671 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000125303569 442007526 /nfs/dbraw/zinc/00/75/26/442007526.db2.gz ZKTMXURSLINFRZ-WMZOPIPTSA-N 2 1 330.476 1.408 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000125303569 442007530 /nfs/dbraw/zinc/00/75/30/442007530.db2.gz ZKTMXURSLINFRZ-WMZOPIPTSA-N 2 1 330.476 1.408 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn2cccnc2n1 ZINC000125589438 442032871 /nfs/dbraw/zinc/03/28/71/442032871.db2.gz QKPJAYXXCUCMDU-OAHLLOKOSA-N 2 1 344.463 1.217 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H](CCO)C(C)C)CC1 ZINC000161961159 442048046 /nfs/dbraw/zinc/04/80/46/442048046.db2.gz PWXSSSKVWNBCKD-IBGZPJMESA-N 2 1 347.503 1.636 20 0 EDADMP CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000120516811 442086612 /nfs/dbraw/zinc/08/66/12/442086612.db2.gz LMOORDPUNYYFHG-SJORKVTESA-N 2 1 337.508 1.865 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000121188685 442189755 /nfs/dbraw/zinc/18/97/55/442189755.db2.gz MBDCRNANJFWQRY-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000121188685 442189760 /nfs/dbraw/zinc/18/97/60/442189760.db2.gz MBDCRNANJFWQRY-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000121188685 442189762 /nfs/dbraw/zinc/18/97/62/442189762.db2.gz MBDCRNANJFWQRY-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N(C)CC[NH+](C)C ZINC000176399703 442218300 /nfs/dbraw/zinc/21/83/00/442218300.db2.gz PNBOVKJOSOCLAQ-QGZVFWFLSA-N 2 1 347.507 1.400 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[NH+](C)CCOC ZINC000176414076 442219602 /nfs/dbraw/zinc/21/96/02/442219602.db2.gz NAGQJNZMWUURGP-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000168514484 442224304 /nfs/dbraw/zinc/22/43/04/442224304.db2.gz QBRSKUNVNNSXEG-SZMVWBNQSA-N 2 1 331.460 1.486 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000171155599 442320928 /nfs/dbraw/zinc/32/09/28/442320928.db2.gz ZRRSGACWGGAXMQ-MRXNPFEDSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+](CCNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000171155599 442320929 /nfs/dbraw/zinc/32/09/29/442320929.db2.gz ZRRSGACWGGAXMQ-MRXNPFEDSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+](CCNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000171155599 442320930 /nfs/dbraw/zinc/32/09/30/442320930.db2.gz ZRRSGACWGGAXMQ-MRXNPFEDSA-N 2 1 326.485 1.127 20 0 EDADMP CN(CC[NH+](C)C)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000177537014 442354993 /nfs/dbraw/zinc/35/49/93/442354993.db2.gz VKJONHTYJNQKNE-UHFFFAOYSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130730584 442354711 /nfs/dbraw/zinc/35/47/11/442354711.db2.gz KUBGWCSBNGHZRW-AWEZNQCLSA-N 2 1 332.452 1.891 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130730584 442354714 /nfs/dbraw/zinc/35/47/14/442354714.db2.gz KUBGWCSBNGHZRW-AWEZNQCLSA-N 2 1 332.452 1.891 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000171122693 442316190 /nfs/dbraw/zinc/31/61/90/442316190.db2.gz LOUZAIHWDCZVJK-XHSDSOJGSA-N 2 1 325.497 1.865 20 0 EDADMP Cc1nccn1CCCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000155510009 442403895 /nfs/dbraw/zinc/40/38/95/442403895.db2.gz PJOSTGOBWQVOSE-QGZVFWFLSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000155510009 442403900 /nfs/dbraw/zinc/40/39/00/442403900.db2.gz PJOSTGOBWQVOSE-QGZVFWFLSA-N 2 1 334.464 1.731 20 0 EDADMP C[N@H+](CC(=O)NCCCC[NH+]1CCC[C@@H]1CO)Cc1ccccc1 ZINC000131259549 442368595 /nfs/dbraw/zinc/36/85/95/442368595.db2.gz HYGXIRHILNMVFB-GOSISDBHSA-N 2 1 333.476 1.472 20 0 EDADMP C[N@@H+](CC(=O)NCCCC[NH+]1CCC[C@@H]1CO)Cc1ccccc1 ZINC000131259549 442368598 /nfs/dbraw/zinc/36/85/98/442368598.db2.gz HYGXIRHILNMVFB-GOSISDBHSA-N 2 1 333.476 1.472 20 0 EDADMP C[NH+](CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)Cc1ccccc1 ZINC000131259549 442368602 /nfs/dbraw/zinc/36/86/02/442368602.db2.gz HYGXIRHILNMVFB-GOSISDBHSA-N 2 1 333.476 1.472 20 0 EDADMP C[NH+](CC(=O)NCCCC[N@H+]1CCC[C@@H]1CO)Cc1ccccc1 ZINC000131259549 442368607 /nfs/dbraw/zinc/36/86/07/442368607.db2.gz HYGXIRHILNMVFB-GOSISDBHSA-N 2 1 333.476 1.472 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000130917433 442359594 /nfs/dbraw/zinc/35/95/94/442359594.db2.gz JOWSPPHAIOZTFB-JZXOWHBKSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000178388195 442429785 /nfs/dbraw/zinc/42/97/85/442429785.db2.gz PGPCMXQCIUWJSU-HNNXBMFYSA-N 2 1 338.496 1.938 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000172629384 442509980 /nfs/dbraw/zinc/50/99/80/442509980.db2.gz OOYAJJDHQMGCCE-UHFFFAOYSA-N 2 1 331.460 1.654 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@]1(CC)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000134560861 442495066 /nfs/dbraw/zinc/49/50/66/442495066.db2.gz MGSILAXGIDAKJU-WMZOPIPTSA-N 2 1 325.497 1.772 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)c2csc(C[NH3+])n2)C[N@@H+]1Cc1ccccc1 ZINC000178831730 442497071 /nfs/dbraw/zinc/49/70/71/442497071.db2.gz BYOPFRKJTOFZBB-GXTWGEPZSA-N 2 1 330.457 1.995 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)c2csc(C[NH3+])n2)C[N@H+]1Cc1ccccc1 ZINC000178831730 442497073 /nfs/dbraw/zinc/49/70/73/442497073.db2.gz BYOPFRKJTOFZBB-GXTWGEPZSA-N 2 1 330.457 1.995 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000172613098 442504293 /nfs/dbraw/zinc/50/42/93/442504293.db2.gz OLXYMPIHFZIKIJ-GOSISDBHSA-N 2 1 333.476 1.835 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000186449260 442536820 /nfs/dbraw/zinc/53/68/20/442536820.db2.gz HGBDHUMEFPGOCF-SFHVURJKSA-N 2 1 330.476 1.387 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000178890608 442516612 /nfs/dbraw/zinc/51/66/12/442516612.db2.gz LIKPISLZKPYKPI-XYJFISCASA-N 2 1 332.492 1.687 20 0 EDADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000156802693 442521701 /nfs/dbraw/zinc/52/17/01/442521701.db2.gz ADPHNYSOVKZJOO-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192104073 442592971 /nfs/dbraw/zinc/59/29/71/442592971.db2.gz KDQFJWGHKWYOGV-QWHCGFSZSA-N 2 1 348.447 1.005 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)[C@H](C)[NH3+] ZINC000192118924 442597222 /nfs/dbraw/zinc/59/72/22/442597222.db2.gz BSQXIWOHDRAZRP-JKIFEVAISA-N 2 1 346.475 1.775 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000187122069 442653777 /nfs/dbraw/zinc/65/37/77/442653777.db2.gz MNUBNJRWFFLDCL-KRWDZBQOSA-N 2 1 342.528 1.356 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000173189202 442620962 /nfs/dbraw/zinc/62/09/62/442620962.db2.gz JFFKTKCEJNCZKJ-HUUCEWRRSA-N 2 1 337.468 1.380 20 0 EDADMP CC(C)[C@](C)(O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000187250308 442663494 /nfs/dbraw/zinc/66/34/94/442663494.db2.gz HCOQJOWFWFSDCT-GOSISDBHSA-N 2 1 325.497 1.270 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCO ZINC000187270897 442666022 /nfs/dbraw/zinc/66/60/22/442666022.db2.gz ABPRFCOVEBDBLR-PKOBYXMFSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCO ZINC000187270897 442666024 /nfs/dbraw/zinc/66/60/24/442666024.db2.gz ABPRFCOVEBDBLR-PKOBYXMFSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000187270897 442666027 /nfs/dbraw/zinc/66/60/27/442666027.db2.gz ABPRFCOVEBDBLR-PKOBYXMFSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000187270897 442666028 /nfs/dbraw/zinc/66/60/28/442666028.db2.gz ABPRFCOVEBDBLR-PKOBYXMFSA-N 2 1 345.487 1.424 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+](C)CC1 ZINC000188170373 442719876 /nfs/dbraw/zinc/71/98/76/442719876.db2.gz KDLHFGFJUVHVHZ-HXUWFJFHSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000193503442 442749101 /nfs/dbraw/zinc/74/91/01/442749101.db2.gz CBJHUZFMGSSDFD-QAPCUYQASA-N 2 1 330.476 1.304 20 0 EDADMP C[NH+](C)C1CC[NH+](CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000193821303 442793588 /nfs/dbraw/zinc/79/35/88/442793588.db2.gz RDAUEQBWYYYQRY-UHFFFAOYSA-N 2 1 332.448 1.429 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000193909748 442810490 /nfs/dbraw/zinc/81/04/90/442810490.db2.gz ASUQKCOUOXIMRH-UHFFFAOYSA-N 2 1 344.459 1.560 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000193909748 442810493 /nfs/dbraw/zinc/81/04/93/442810493.db2.gz ASUQKCOUOXIMRH-UHFFFAOYSA-N 2 1 344.459 1.560 20 0 EDADMP C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000193928683 442814083 /nfs/dbraw/zinc/81/40/83/442814083.db2.gz AQTNDJXDKVAJHM-KRWDZBQOSA-N 2 1 330.476 1.902 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000247326132 442847487 /nfs/dbraw/zinc/84/74/87/442847487.db2.gz UEUVMSSKIZZBIC-SJLPKXTDSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000247326132 442847491 /nfs/dbraw/zinc/84/74/91/442847491.db2.gz UEUVMSSKIZZBIC-SJLPKXTDSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000247326132 442847495 /nfs/dbraw/zinc/84/74/95/442847495.db2.gz UEUVMSSKIZZBIC-SJLPKXTDSA-N 2 1 337.508 1.866 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000265639416 442856779 /nfs/dbraw/zinc/85/67/79/442856779.db2.gz UQCIWDCMVSIDKK-CABCVRRESA-N 2 1 340.493 1.371 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)c1cccc(Cl)c1 ZINC000182956644 442854967 /nfs/dbraw/zinc/85/49/67/442854967.db2.gz WIZHJIOEJRQSIZ-QGZVFWFLSA-N 2 1 325.884 1.943 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248575253 442901989 /nfs/dbraw/zinc/90/19/89/442901989.db2.gz NDVCEAWBTRQLQD-QBPKDAKJSA-N 2 1 337.508 1.865 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248575253 442901993 /nfs/dbraw/zinc/90/19/93/442901993.db2.gz NDVCEAWBTRQLQD-QBPKDAKJSA-N 2 1 337.508 1.865 20 0 EDADMP O=C(C[N@@H+]1CC[C@@H](CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000265819208 442932675 /nfs/dbraw/zinc/93/26/75/442932675.db2.gz KOSPKAFHAFNZOX-GOSISDBHSA-N 2 1 331.460 1.213 20 0 EDADMP C[C@@H](C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000183497009 442935689 /nfs/dbraw/zinc/93/56/89/442935689.db2.gz RISHSVNDRYYSPT-KRWDZBQOSA-N 2 1 346.519 1.649 20 0 EDADMP C[C@@H](C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000183497009 442935692 /nfs/dbraw/zinc/93/56/92/442935692.db2.gz RISHSVNDRYYSPT-KRWDZBQOSA-N 2 1 346.519 1.649 20 0 EDADMP CO[C@H]1C[NH+](CCOCC[N@H+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000251780143 443017774 /nfs/dbraw/zinc/01/77/74/443017774.db2.gz LIPJKSTUGNDPAD-USTZCAOPSA-N 2 1 328.497 1.717 20 0 EDADMP CO[C@H]1C[N@H+](CCOCC[NH+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000251780143 443017778 /nfs/dbraw/zinc/01/77/78/443017778.db2.gz LIPJKSTUGNDPAD-USTZCAOPSA-N 2 1 328.497 1.717 20 0 EDADMP CO[C@H]1C[N@@H+](CCOCC[NH+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000251780143 443017779 /nfs/dbraw/zinc/01/77/79/443017779.db2.gz LIPJKSTUGNDPAD-USTZCAOPSA-N 2 1 328.497 1.717 20 0 EDADMP CC[C@]1(CO)CCC[NH+]1CC1(C[N@@H+]2CCC[C@]2(CC)CO)COC1 ZINC000251889503 443019481 /nfs/dbraw/zinc/01/94/81/443019481.db2.gz QFQZGZLSMUQKTP-RTBURBONSA-N 2 1 340.508 1.477 20 0 EDADMP Cn1cc([C@@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000268882023 443136423 /nfs/dbraw/zinc/13/64/23/443136423.db2.gz KHNXSVZCGVKXIM-IBGZPJMESA-N 2 1 328.460 1.750 20 0 EDADMP C[C@@H](NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cnccn1 ZINC000268790476 443108820 /nfs/dbraw/zinc/10/88/20/443108820.db2.gz GFKSFKBPHNRSCR-MRXNPFEDSA-N 2 1 326.448 1.735 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@H](CO)C(C)(C)C)c1ccccc1 ZINC000184988869 443112226 /nfs/dbraw/zinc/11/22/26/443112226.db2.gz XCKDRDZTEBWUEI-DLBZAZTESA-N 2 1 335.492 1.744 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266446174 443129215 /nfs/dbraw/zinc/12/92/15/443129215.db2.gz ARFYYLDZQJPTCO-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266446174 443129221 /nfs/dbraw/zinc/12/92/21/443129221.db2.gz ARFYYLDZQJPTCO-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266446174 443129226 /nfs/dbraw/zinc/12/92/26/443129226.db2.gz ARFYYLDZQJPTCO-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000237194800 443163511 /nfs/dbraw/zinc/16/35/11/443163511.db2.gz OTANWDIDRCFYFW-CYBMUJFWSA-N 2 1 335.448 1.034 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000237194800 443163513 /nfs/dbraw/zinc/16/35/13/443163513.db2.gz OTANWDIDRCFYFW-CYBMUJFWSA-N 2 1 335.448 1.034 20 0 EDADMP CC(C)n1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261758686 443168718 /nfs/dbraw/zinc/16/87/18/443168718.db2.gz VNYRNJUGSYDJHN-DOTOQJQBSA-N 2 1 333.480 1.544 20 0 EDADMP CC(C)n1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261758686 443168722 /nfs/dbraw/zinc/16/87/22/443168722.db2.gz VNYRNJUGSYDJHN-DOTOQJQBSA-N 2 1 333.480 1.544 20 0 EDADMP O=C(NCCCN1CC[NH2+]CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000238029290 443193028 /nfs/dbraw/zinc/19/30/28/443193028.db2.gz RUKFVTLPINSGFX-IBGZPJMESA-N 2 1 344.503 1.310 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000245657640 443242987 /nfs/dbraw/zinc/24/29/87/443242987.db2.gz CTKVVEXLDOSALS-HOTGVXAUSA-N 2 1 328.501 1.374 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000245657640 443242989 /nfs/dbraw/zinc/24/29/89/443242989.db2.gz CTKVVEXLDOSALS-HOTGVXAUSA-N 2 1 328.501 1.374 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000245657640 443242991 /nfs/dbraw/zinc/24/29/91/443242991.db2.gz CTKVVEXLDOSALS-HOTGVXAUSA-N 2 1 328.501 1.374 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000341061131 318985928 /nfs/dbraw/zinc/98/59/28/318985928.db2.gz ZQQVYITXRWLQOR-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)[C@@H](C)C1 ZINC000262758462 443210727 /nfs/dbraw/zinc/21/07/27/443210727.db2.gz ICLLMPJZLVWGHU-JYJNAYRXSA-N 2 1 343.537 1.335 20 0 EDADMP CCS(=O)(=O)NCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730435 443246498 /nfs/dbraw/zinc/24/64/98/443246498.db2.gz UXTPVKGVUIJAOR-HUUCEWRRSA-N 2 1 331.526 1.558 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000245910168 443256379 /nfs/dbraw/zinc/25/63/79/443256379.db2.gz VASUGZAITJYPIE-CVEARBPZSA-N 2 1 340.512 1.203 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000414666912 319338518 /nfs/dbraw/zinc/33/85/18/319338518.db2.gz XBQPFYXJYJUQJF-HNNXBMFYSA-N 2 1 344.415 1.357 20 0 EDADMP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414688015 319342597 /nfs/dbraw/zinc/34/25/97/319342597.db2.gz CPNSPKJYJWCXLG-CABCVRRESA-N 2 1 339.480 1.108 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416163068 319394650 /nfs/dbraw/zinc/39/46/50/319394650.db2.gz WSVWXQZNFOHVRF-GOSISDBHSA-N 2 1 333.476 1.860 20 0 EDADMP O[C@@H](C[NH+](C[C@@H]1CCOC1)C1CC1)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000246012604 443261821 /nfs/dbraw/zinc/26/18/21/443261821.db2.gz UBIMGYGTKCULDQ-HGKCTWBKSA-N 2 1 338.492 1.349 20 0 EDADMP O[C@H](C[NH+](C[C@H]1CCOC1)C1CC1)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000246012604 443261824 /nfs/dbraw/zinc/26/18/24/443261824.db2.gz UBIMGYGTKCULDQ-HGKCTWBKSA-N 2 1 338.492 1.349 20 0 EDADMP O[C@H](C[NH+](C[C@H]1CCOC1)C1CC1)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000246012604 443261826 /nfs/dbraw/zinc/26/18/26/443261826.db2.gz UBIMGYGTKCULDQ-HGKCTWBKSA-N 2 1 338.492 1.349 20 0 EDADMP C[C@H](CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000266837716 443262470 /nfs/dbraw/zinc/26/24/70/443262470.db2.gz MLQXAHKTMATUSN-MSOLQXFVSA-N 2 1 346.519 1.507 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000185814677 443262810 /nfs/dbraw/zinc/26/28/10/443262810.db2.gz QNHRLWLKRUDLKL-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CC1 ZINC000191493947 443303659 /nfs/dbraw/zinc/30/36/59/443303659.db2.gz MOKSMHFOOLNSNM-JKSUJKDBSA-N 2 1 333.542 1.156 20 0 EDADMP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000186054595 443304444 /nfs/dbraw/zinc/30/44/44/443304444.db2.gz OHFIISGLCUAYCF-ZWKOTPCHSA-N 2 1 331.460 1.344 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000186054595 443304447 /nfs/dbraw/zinc/30/44/47/443304447.db2.gz OHFIISGLCUAYCF-ZWKOTPCHSA-N 2 1 331.460 1.344 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000186054595 443304451 /nfs/dbraw/zinc/30/44/51/443304451.db2.gz OHFIISGLCUAYCF-ZWKOTPCHSA-N 2 1 331.460 1.344 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000186054595 443304453 /nfs/dbraw/zinc/30/44/53/443304453.db2.gz OHFIISGLCUAYCF-ZWKOTPCHSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000272496862 443340189 /nfs/dbraw/zinc/34/01/89/443340189.db2.gz DFAWJIZXNNVTGT-RDJZCZTQSA-N 2 1 341.459 1.782 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000272496862 443340194 /nfs/dbraw/zinc/34/01/94/443340194.db2.gz DFAWJIZXNNVTGT-RDJZCZTQSA-N 2 1 341.459 1.782 20 0 EDADMP C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000419043177 319546317 /nfs/dbraw/zinc/54/63/17/319546317.db2.gz QLEJRNIIRSCYTM-ZDUSSCGKSA-N 2 1 343.431 1.084 20 0 EDADMP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2n(n1)CCC2 ZINC000423404390 319771974 /nfs/dbraw/zinc/77/19/74/319771974.db2.gz YGRKWABDLRJPPI-RISCZKNCSA-N 2 1 331.386 1.316 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000273055661 443530076 /nfs/dbraw/zinc/53/00/76/443530076.db2.gz IFUWXXVYQKPBTH-BPQIPLTHSA-N 2 1 331.460 1.516 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000273055664 443530235 /nfs/dbraw/zinc/53/02/35/443530235.db2.gz IFUWXXVYQKPBTH-NJAFHUGGSA-N 2 1 331.460 1.516 20 0 EDADMP [NH3+]C1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000431025836 319937550 /nfs/dbraw/zinc/93/75/50/319937550.db2.gz CMOGQXWFXVTGOZ-UHFFFAOYSA-N 2 1 345.491 1.372 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+]1CC=CCC1)c1cccc(F)c1 ZINC000279526557 443601563 /nfs/dbraw/zinc/60/15/63/443601563.db2.gz BQIXQGUFRUXOSM-QGZVFWFLSA-N 2 1 334.439 1.990 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000447962212 320150474 /nfs/dbraw/zinc/15/04/74/320150474.db2.gz GUDAXVBIXIJWKY-HNNXBMFYSA-N 2 1 328.501 1.374 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447962212 320150476 /nfs/dbraw/zinc/15/04/76/320150476.db2.gz GUDAXVBIXIJWKY-HNNXBMFYSA-N 2 1 328.501 1.374 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447962212 320150478 /nfs/dbraw/zinc/15/04/78/320150478.db2.gz GUDAXVBIXIJWKY-HNNXBMFYSA-N 2 1 328.501 1.374 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccncc2F)cc1 ZINC000449224579 320179748 /nfs/dbraw/zinc/17/97/48/320179748.db2.gz MGILEQDSHBONFX-UHFFFAOYSA-N 2 1 330.407 1.802 20 0 EDADMP CC[C@H](CNS(C)(=O)=O)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449443072 320191356 /nfs/dbraw/zinc/19/13/56/320191356.db2.gz PBNVGYYISJCXQY-ZMSDIMECSA-N 2 1 345.553 1.947 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]([C@H](CO)C3CC3)C3CC3)cn2)CC1 ZINC000449503926 320192850 /nfs/dbraw/zinc/19/28/50/320192850.db2.gz INNYERAMMGUREM-QZTJIDSGSA-N 2 1 345.491 1.115 20 0 EDADMP C[C@H](NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(=O)[nH]n1 ZINC000286224905 443671638 /nfs/dbraw/zinc/67/16/38/443671638.db2.gz SPALMPFNMPXBBH-HNNXBMFYSA-N 2 1 342.447 1.028 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)[NH+]1CCCC[C@H]1C ZINC000457725707 320333528 /nfs/dbraw/zinc/33/35/28/320333528.db2.gz ZJIAOAVRGCARGS-BRWVUGGUSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCCC[NH+]1CCO)[N@@H+]1CCCC[C@H]1C ZINC000457725707 320333529 /nfs/dbraw/zinc/33/35/29/320333529.db2.gz ZJIAOAVRGCARGS-BRWVUGGUSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCCC[NH+]1CCO)[N@H+]1CCCC[C@H]1C ZINC000457725707 320333530 /nfs/dbraw/zinc/33/35/30/320333530.db2.gz ZJIAOAVRGCARGS-BRWVUGGUSA-N 2 1 340.512 1.395 20 0 EDADMP CSC1(CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC[NH+](C)CC1 ZINC000458785106 320341210 /nfs/dbraw/zinc/34/12/10/320341210.db2.gz JODTZWGHQRCKIT-HNNXBMFYSA-N 2 1 342.553 1.938 20 0 EDADMP O=C(NCCCCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458841970 320342832 /nfs/dbraw/zinc/34/28/32/320342832.db2.gz GINIFIDONUWJOI-QGZVFWFLSA-N 2 1 340.512 1.399 20 0 EDADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459314856 320346046 /nfs/dbraw/zinc/34/60/46/320346046.db2.gz PFKLYEVITOATQS-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459314856 320346047 /nfs/dbraw/zinc/34/60/47/320346047.db2.gz PFKLYEVITOATQS-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459314856 320346048 /nfs/dbraw/zinc/34/60/48/320346048.db2.gz PFKLYEVITOATQS-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1)C1CCCC1 ZINC000286381664 443702068 /nfs/dbraw/zinc/70/20/68/443702068.db2.gz NEGGTZYQMKRYBS-CQSZACIVSA-N 2 1 347.463 1.106 20 0 EDADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC=CCC1 ZINC000280371581 443705435 /nfs/dbraw/zinc/70/54/35/443705435.db2.gz GYJOOPRVDXWUBW-UHFFFAOYSA-N 2 1 344.459 1.107 20 0 EDADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000280371581 443705436 /nfs/dbraw/zinc/70/54/36/443705436.db2.gz GYJOOPRVDXWUBW-UHFFFAOYSA-N 2 1 344.459 1.107 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cn2cccnc2n1 ZINC000298170563 443711350 /nfs/dbraw/zinc/71/13/50/443711350.db2.gz UGMISTNTGPSLOK-KRWDZBQOSA-N 2 1 330.480 1.577 20 0 EDADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000283823382 443732390 /nfs/dbraw/zinc/73/23/90/443732390.db2.gz YUGQCEMRQQCCOC-DLBZAZTESA-N 2 1 346.475 1.006 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[NH+](C)C ZINC000281330124 443881894 /nfs/dbraw/zinc/88/18/94/443881894.db2.gz AKSGJHNGSUKDLL-LLVKDONJSA-N 2 1 340.855 1.406 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000281263480 443862880 /nfs/dbraw/zinc/86/28/80/443862880.db2.gz HNWGZFBSQYQBCH-SFHVURJKSA-N 2 1 336.476 1.990 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281263480 443862883 /nfs/dbraw/zinc/86/28/83/443862883.db2.gz HNWGZFBSQYQBCH-SFHVURJKSA-N 2 1 336.476 1.990 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000288502905 443901436 /nfs/dbraw/zinc/90/14/36/443901436.db2.gz BJNRDSBVAGTALF-IAGOWNOFSA-N 2 1 347.459 1.390 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC000281927999 444042040 /nfs/dbraw/zinc/04/20/40/444042040.db2.gz KCMWRQIUYGUTHL-KRWDZBQOSA-N 2 1 344.503 1.635 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000281928001 444042055 /nfs/dbraw/zinc/04/20/55/444042055.db2.gz KCMWRQIUYGUTHL-QGZVFWFLSA-N 2 1 344.503 1.635 20 0 EDADMP C[C@@H](O)CN1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000285683599 444072005 /nfs/dbraw/zinc/07/20/05/444072005.db2.gz AJUNEJNYQZNHTE-ZHALLVOQSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000285683599 444072011 /nfs/dbraw/zinc/07/20/11/444072011.db2.gz AJUNEJNYQZNHTE-ZHALLVOQSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000285683599 444072014 /nfs/dbraw/zinc/07/20/14/444072014.db2.gz AJUNEJNYQZNHTE-ZHALLVOQSA-N 2 1 345.487 1.280 20 0 EDADMP Cc1nccn1CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299507409 444065808 /nfs/dbraw/zinc/06/58/08/444065808.db2.gz ZNSXKTVPKIZADZ-KRWDZBQOSA-N 2 1 327.432 1.765 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299507409 444065811 /nfs/dbraw/zinc/06/58/11/444065811.db2.gz ZNSXKTVPKIZADZ-KRWDZBQOSA-N 2 1 327.432 1.765 20 0 EDADMP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[NH+]1CC(C)C1 ZINC000561317445 321039167 /nfs/dbraw/zinc/03/91/67/321039167.db2.gz QMBYLYFDKMZZRV-APWZRJJASA-N 2 1 345.487 1.600 20 0 EDADMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc4cccnc4o3)CC2)CC1 ZINC000562522434 321060900 /nfs/dbraw/zinc/06/09/00/321060900.db2.gz BSNQZRGFWQHBHY-UHFFFAOYSA-N 2 1 342.443 1.814 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[NH2+][C@H]3C)CC2)oc1C ZINC000563069448 321092638 /nfs/dbraw/zinc/09/26/38/321092638.db2.gz BUOYARFUFDLCNZ-XJKSGUPXSA-N 2 1 334.464 1.618 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cn2cc(Cl)cn2)CC1 ZINC000565441706 321186795 /nfs/dbraw/zinc/18/67/95/321186795.db2.gz VJDBDFKEOIQWCY-UHFFFAOYSA-N 2 1 334.811 1.322 20 0 EDADMP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000566000504 321209573 /nfs/dbraw/zinc/20/95/73/321209573.db2.gz GBHLIFONQGJJPH-CHWSQXEVSA-N 2 1 333.461 1.839 20 0 EDADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000566000504 321209575 /nfs/dbraw/zinc/20/95/75/321209575.db2.gz GBHLIFONQGJJPH-CHWSQXEVSA-N 2 1 333.461 1.839 20 0 EDADMP CCOC[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000566105544 321215257 /nfs/dbraw/zinc/21/52/57/321215257.db2.gz MKQVDNOXSSJDCR-LJQANCHMSA-N 2 1 335.492 1.311 20 0 EDADMP COc1cccc(N2CC[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000566110769 321216312 /nfs/dbraw/zinc/21/63/12/321216312.db2.gz PZGFTETZJKUYQR-YJBOKZPZSA-N 2 1 333.476 1.566 20 0 EDADMP COc1cccc(N2CC[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000566110769 321216313 /nfs/dbraw/zinc/21/63/13/321216313.db2.gz PZGFTETZJKUYQR-YJBOKZPZSA-N 2 1 333.476 1.566 20 0 EDADMP CC1(C)CN(C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000568491426 321293682 /nfs/dbraw/zinc/29/36/82/321293682.db2.gz QVNZVYSJGQGYKO-QGZVFWFLSA-N 2 1 346.475 1.281 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000568998559 321313982 /nfs/dbraw/zinc/31/39/82/321313982.db2.gz XPDDWZBOEXTPKH-AWEZNQCLSA-N 2 1 325.419 1.648 20 0 EDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000289343106 444112685 /nfs/dbraw/zinc/11/26/85/444112685.db2.gz JPPCBHPEQZQSHJ-IBGZPJMESA-N 2 1 345.487 1.678 20 0 EDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000289343106 444112690 /nfs/dbraw/zinc/11/26/90/444112690.db2.gz JPPCBHPEQZQSHJ-IBGZPJMESA-N 2 1 345.487 1.678 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1)C1CC1 ZINC000289343106 444112692 /nfs/dbraw/zinc/11/26/92/444112692.db2.gz JPPCBHPEQZQSHJ-IBGZPJMESA-N 2 1 345.487 1.678 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1)C1CC1 ZINC000289343106 444112694 /nfs/dbraw/zinc/11/26/94/444112694.db2.gz JPPCBHPEQZQSHJ-IBGZPJMESA-N 2 1 345.487 1.678 20 0 EDADMP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289505926 444160809 /nfs/dbraw/zinc/16/08/09/444160809.db2.gz UPEDPMWAYPNNCG-QGZVFWFLSA-N 2 1 346.519 1.780 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000295170269 444167832 /nfs/dbraw/zinc/16/78/32/444167832.db2.gz LKHNIYHCPAGOPD-MRXNPFEDSA-N 2 1 333.480 1.098 20 0 EDADMP CCOc1cncc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000301869031 444194462 /nfs/dbraw/zinc/19/44/62/444194462.db2.gz WDGPTIZYQGUSLO-XYPWUTKMSA-N 2 1 331.464 1.623 20 0 EDADMP O[C@H](COC1CCOCC1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000304955478 444254514 /nfs/dbraw/zinc/25/45/14/444254514.db2.gz YTIRACUSHUSCGY-IRXDYDNUSA-N 2 1 326.481 1.351 20 0 EDADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1Cl ZINC000305123229 444259391 /nfs/dbraw/zinc/25/93/91/444259391.db2.gz KIBGDLOKQGAPLM-TZMCWYRMSA-N 2 1 327.856 1.878 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000305701941 444273629 /nfs/dbraw/zinc/27/36/29/444273629.db2.gz UQGQNNSGGDTWDG-CEXWTWQISA-N 2 1 345.487 1.612 20 0 EDADMP Cc1cc(NC(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)cn2ccnc12 ZINC000296979851 444266497 /nfs/dbraw/zinc/26/64/97/444266497.db2.gz NWVNJTQFXZMDQG-ZIAGYGMSSA-N 2 1 331.420 1.562 20 0 EDADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000290046041 444234650 /nfs/dbraw/zinc/23/46/50/444234650.db2.gz RHEGNCBUXURRKZ-HXUWFJFHSA-N 2 1 346.519 1.475 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000303249311 444235177 /nfs/dbraw/zinc/23/51/77/444235177.db2.gz FEJVBBUTTWCLGG-HOTGVXAUSA-N 2 1 325.497 1.412 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000296582472 444240312 /nfs/dbraw/zinc/24/03/12/444240312.db2.gz WYDYYVNHDGRRKD-PKOBYXMFSA-N 2 1 346.519 1.870 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000296582472 444240315 /nfs/dbraw/zinc/24/03/15/444240315.db2.gz WYDYYVNHDGRRKD-PKOBYXMFSA-N 2 1 346.519 1.870 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000296582472 444240316 /nfs/dbraw/zinc/24/03/16/444240316.db2.gz WYDYYVNHDGRRKD-PKOBYXMFSA-N 2 1 346.519 1.870 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)nc2)C[C@H](C)[N@@H+]1C ZINC000296603500 444242833 /nfs/dbraw/zinc/24/28/33/444242833.db2.gz OTKWRMWNJDOOJY-GASCZTMLSA-N 2 1 331.464 1.916 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000304147652 444243041 /nfs/dbraw/zinc/24/30/41/444243041.db2.gz JGLVERZYVCYCSR-MOPGFXCFSA-N 2 1 347.503 1.447 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000304147652 444243043 /nfs/dbraw/zinc/24/30/43/444243043.db2.gz JGLVERZYVCYCSR-MOPGFXCFSA-N 2 1 347.503 1.447 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](CCOc2ccc(Br)cc2)CCCO1 ZINC000313344733 444296326 /nfs/dbraw/zinc/29/63/26/444296326.db2.gz QFWDSLXNTSLACG-AWEZNQCLSA-N 2 1 329.238 1.878 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc(Br)cc2)CCCO1 ZINC000313344733 444296327 /nfs/dbraw/zinc/29/63/27/444296327.db2.gz QFWDSLXNTSLACG-AWEZNQCLSA-N 2 1 329.238 1.878 20 0 EDADMP COCC1(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CC[NH2+]CC1 ZINC000323264426 444342563 /nfs/dbraw/zinc/34/25/63/444342563.db2.gz YDZNESSAKCDITO-UHFFFAOYSA-N 2 1 325.497 1.581 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000324224069 444351832 /nfs/dbraw/zinc/35/18/32/444351832.db2.gz FWHDQAWWYOUUAU-SFHVURJKSA-N 2 1 325.497 1.583 20 0 EDADMP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@@H](Oc4ccncc4)C3)C2=O)n(C)n1 ZINC000328672877 444424005 /nfs/dbraw/zinc/42/40/05/444424005.db2.gz OQINZZPZOMGDEC-CVEARBPZSA-N 2 1 341.415 1.382 20 0 EDADMP Cc1cc(N2CC[C@H]([N@H+]3CC[C@@H](Oc4ccncc4)C3)C2=O)n(C)n1 ZINC000328672877 444424010 /nfs/dbraw/zinc/42/40/10/444424010.db2.gz OQINZZPZOMGDEC-CVEARBPZSA-N 2 1 341.415 1.382 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337729373 444378160 /nfs/dbraw/zinc/37/81/60/444378160.db2.gz VXXLSWPGPBXTDP-DOTOQJQBSA-N 2 1 328.501 1.109 20 0 EDADMP CN(C)c1nc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000340570304 444444708 /nfs/dbraw/zinc/44/47/08/444444708.db2.gz HFJBSOXEQUFEJF-CVEARBPZSA-N 2 1 327.432 1.590 20 0 EDADMP CN(C)c1nc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000340570304 444444711 /nfs/dbraw/zinc/44/47/11/444444711.db2.gz HFJBSOXEQUFEJF-CVEARBPZSA-N 2 1 327.432 1.590 20 0 EDADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cccc3nsnc32)CC1 ZINC000331732635 444485145 /nfs/dbraw/zinc/48/51/45/444485145.db2.gz RLYLLNQIYWLZPZ-UHFFFAOYSA-N 2 1 333.461 1.903 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000580556030 322066827 /nfs/dbraw/zinc/06/68/27/322066827.db2.gz AULZMMIJOHKBPF-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H](CNC(=O)COC1CCC([NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000580558943 322067200 /nfs/dbraw/zinc/06/72/00/322067200.db2.gz UUZDCESMNLLGRA-VNCLNFNDSA-N 2 1 345.487 1.836 20 0 EDADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000580711743 322085497 /nfs/dbraw/zinc/08/54/97/322085497.db2.gz MLDXXVGXRQVZQT-ZWKOTPCHSA-N 2 1 330.476 1.761 20 0 EDADMP CN1CC[NH+](CC2(C)CCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)CC1 ZINC000580783007 322095094 /nfs/dbraw/zinc/09/50/94/322095094.db2.gz ICJDBYXKIHKBQV-UHFFFAOYSA-N 2 1 336.524 1.204 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)[C@H]2C1 ZINC000332189560 444504318 /nfs/dbraw/zinc/50/43/18/444504318.db2.gz XLAOYFLDLPCJAC-YESZJQIVSA-N 2 1 331.460 1.644 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000581320943 322164270 /nfs/dbraw/zinc/16/42/70/322164270.db2.gz SSIFVLRCAMLYJT-GOSISDBHSA-N 2 1 333.476 1.367 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000581983993 322240226 /nfs/dbraw/zinc/24/02/26/322240226.db2.gz KRCPBWFTSBKVJQ-KFKAGJAMSA-N 2 1 342.443 1.938 20 0 EDADMP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342148826 444534571 /nfs/dbraw/zinc/53/45/71/444534571.db2.gz VNHBVGDGVXVNIX-UAGQMJEPSA-N 2 1 344.459 1.386 20 0 EDADMP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342148826 444534575 /nfs/dbraw/zinc/53/45/75/444534575.db2.gz VNHBVGDGVXVNIX-UAGQMJEPSA-N 2 1 344.459 1.386 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000340931631 444582397 /nfs/dbraw/zinc/58/23/97/444582397.db2.gz HMXJZOBILUPONV-MAUKXSAKSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000340931631 444582400 /nfs/dbraw/zinc/58/24/00/444582400.db2.gz HMXJZOBILUPONV-MAUKXSAKSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000340931631 444582403 /nfs/dbraw/zinc/58/24/03/444582403.db2.gz HMXJZOBILUPONV-MAUKXSAKSA-N 2 1 330.476 1.827 20 0 EDADMP CC[C@@H](CNC(=O)C1([NH3+])CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000338152643 444538755 /nfs/dbraw/zinc/53/87/55/444538755.db2.gz BKSWFOBRRDWNBZ-KRWDZBQOSA-N 2 1 331.460 1.447 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCOC1 ZINC000341014950 444631924 /nfs/dbraw/zinc/63/19/24/444631924.db2.gz BEBARAYIAQBDQN-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CC[NH+](CC)CCC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1noc(C)n1 ZINC000338306116 444622641 /nfs/dbraw/zinc/62/26/41/444622641.db2.gz XUQLSCULIQCHRJ-HZPDHXFCSA-N 2 1 341.475 1.954 20 0 EDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1noc(C)n1 ZINC000338306116 444622644 /nfs/dbraw/zinc/62/26/44/444622644.db2.gz XUQLSCULIQCHRJ-HZPDHXFCSA-N 2 1 341.475 1.954 20 0 EDADMP CN(CC[C@H]1CCCC[N@@H+]1C)c1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000333228257 444648711 /nfs/dbraw/zinc/64/87/11/444648711.db2.gz GFFQEAVPMUUQNS-HZPDHXFCSA-N 2 1 333.480 2.378 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)c1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000333228257 444648714 /nfs/dbraw/zinc/64/87/14/444648714.db2.gz GFFQEAVPMUUQNS-HZPDHXFCSA-N 2 1 333.480 2.378 20 0 EDADMP C[NH+](C)CCCOc1cnccc1CNc1[nH+]cnc2[nH]ccc21 ZINC000341046882 444651775 /nfs/dbraw/zinc/65/17/75/444651775.db2.gz LETJEHUQIRZYDQ-UHFFFAOYSA-N 2 1 326.404 2.296 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000333095573 444637952 /nfs/dbraw/zinc/63/79/52/444637952.db2.gz ADZGZNKOBMEVSO-GFCCVEGCSA-N 2 1 336.411 1.002 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000333095573 444637956 /nfs/dbraw/zinc/63/79/56/444637956.db2.gz ADZGZNKOBMEVSO-GFCCVEGCSA-N 2 1 336.411 1.002 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000342342606 444642760 /nfs/dbraw/zinc/64/27/60/444642760.db2.gz DXAFTPBZVAEXBO-WBVHZDCISA-N 2 1 340.512 1.469 20 0 EDADMP Nc1nc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)nc2ccccc12 ZINC000333832523 444701534 /nfs/dbraw/zinc/70/15/34/444701534.db2.gz JRGJYLWGFYUBDI-QAPCUYQASA-N 2 1 341.459 1.930 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000341158480 444702078 /nfs/dbraw/zinc/70/20/78/444702078.db2.gz ICPDFSOQZSEMLK-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000341172669 444708898 /nfs/dbraw/zinc/70/88/98/444708898.db2.gz UZFLPALSVFETJB-ZACQAIPSSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000341172669 444708901 /nfs/dbraw/zinc/70/89/01/444708901.db2.gz UZFLPALSVFETJB-ZACQAIPSSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1 ZINC000341172669 444708907 /nfs/dbraw/zinc/70/89/07/444708907.db2.gz UZFLPALSVFETJB-ZACQAIPSSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000341238805 444744741 /nfs/dbraw/zinc/74/47/41/444744741.db2.gz JOVODUCOXCWTIP-AYOQOUSVSA-N 2 1 344.503 1.941 20 0 EDADMP CN(CCC[N@@H+](C)CC(=O)NC1CCCCCC1)CC[NH+](C)C ZINC000344072328 444765622 /nfs/dbraw/zinc/76/56/22/444765622.db2.gz SKSYANYKJHVRGW-UHFFFAOYSA-N 2 1 326.529 1.641 20 0 EDADMP C1=CC[NH+](CCNc2cncc(NCC[N@@H+]3CC=CCC3)n2)CC1 ZINC000338709027 444815956 /nfs/dbraw/zinc/81/59/56/444815956.db2.gz AVYFJFCLWRCOHY-UHFFFAOYSA-N 2 1 328.464 1.824 20 0 EDADMP C[C@@H]1CN(c2cncc(N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)n2)C[C@@H](C)[NH+]1C ZINC000338787513 444851768 /nfs/dbraw/zinc/85/17/68/444851768.db2.gz SMLCLEXACMLATD-FPCVCCKLSA-N 2 1 332.496 1.534 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)CC[NH+]1CCN(CC)CC1 ZINC000342788534 444867040 /nfs/dbraw/zinc/86/70/40/444867040.db2.gz WRNVMHFFUWRDNU-UHFFFAOYSA-N 2 1 338.540 1.739 20 0 EDADMP C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000342905876 444933534 /nfs/dbraw/zinc/93/35/34/444933534.db2.gz TVHPZTOHHCETEK-SFHVURJKSA-N 2 1 346.475 1.364 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000344488193 445005540 /nfs/dbraw/zinc/00/55/40/445005540.db2.gz HXEHETQNQSZTLO-IYBDPMFKSA-N 2 1 325.497 1.616 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000343031389 445018095 /nfs/dbraw/zinc/01/80/95/445018095.db2.gz AWWNDBXZEYMCSU-JKSUJKDBSA-N 2 1 340.512 1.214 20 0 EDADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C(=O)NCCF ZINC000337377378 445054355 /nfs/dbraw/zinc/05/43/55/445054355.db2.gz HISFOKKWBWKVDD-DZOHQFGASA-N 2 1 333.451 1.961 20 0 EDADMP CC[C@H](CNC(=O)NCC[NH+]1CCC1)[N@H+]1CCc2ccccc2C1 ZINC000337403497 445065108 /nfs/dbraw/zinc/06/51/08/445065108.db2.gz RACIFNMLSRKXBH-GOSISDBHSA-N 2 1 330.476 1.828 20 0 EDADMP CC(C)(CNC(=O)NCC[NH+]1CCC1)[N@H+]1CCc2ccccc2C1 ZINC000337410364 445068040 /nfs/dbraw/zinc/06/80/40/445068040.db2.gz NGJFEHMMBNICDP-UHFFFAOYSA-N 2 1 330.476 1.828 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000337509964 445111669 /nfs/dbraw/zinc/11/16/69/445111669.db2.gz UHTCSWSPIREMAO-KRWDZBQOSA-N 2 1 347.507 1.887 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342086802 445164249 /nfs/dbraw/zinc/16/42/49/445164249.db2.gz ONFBVBIAPYLANZ-OKZBNKHCSA-N 2 1 345.487 1.858 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342086802 445164253 /nfs/dbraw/zinc/16/42/53/445164253.db2.gz ONFBVBIAPYLANZ-OKZBNKHCSA-N 2 1 345.487 1.858 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342095407 445169618 /nfs/dbraw/zinc/16/96/18/445169618.db2.gz GPWSAVFNWJZCOK-GUDXXQAFSA-N 2 1 344.459 1.432 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342095407 445169619 /nfs/dbraw/zinc/16/96/19/445169619.db2.gz GPWSAVFNWJZCOK-GUDXXQAFSA-N 2 1 344.459 1.432 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000342048942 445144289 /nfs/dbraw/zinc/14/42/89/445144289.db2.gz OFSSWFRMFHGITO-COXVUDFISA-N 2 1 344.459 1.273 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000342048942 445144294 /nfs/dbraw/zinc/14/42/94/445144294.db2.gz OFSSWFRMFHGITO-COXVUDFISA-N 2 1 344.459 1.273 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000342048942 445144298 /nfs/dbraw/zinc/14/42/98/445144298.db2.gz OFSSWFRMFHGITO-COXVUDFISA-N 2 1 344.459 1.273 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000342048942 445144301 /nfs/dbraw/zinc/14/43/01/445144301.db2.gz OFSSWFRMFHGITO-COXVUDFISA-N 2 1 344.459 1.273 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000342048942 445144305 /nfs/dbraw/zinc/14/43/05/445144305.db2.gz OFSSWFRMFHGITO-COXVUDFISA-N 2 1 344.459 1.273 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000343220414 445146296 /nfs/dbraw/zinc/14/62/96/445146296.db2.gz SDRNCIDOKMXYMK-GJZGRUSLSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C[C@H](C)O1 ZINC000343243961 445156972 /nfs/dbraw/zinc/15/69/72/445156972.db2.gz GNTBGYCVKSPCBK-ZWJWXYIHSA-N 2 1 339.524 1.623 20 0 EDADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000343243961 445156976 /nfs/dbraw/zinc/15/69/76/445156976.db2.gz GNTBGYCVKSPCBK-ZWJWXYIHSA-N 3 1 339.524 1.623 20 0 EDADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000343243961 445156981 /nfs/dbraw/zinc/15/69/81/445156981.db2.gz GNTBGYCVKSPCBK-ZWJWXYIHSA-N 3 1 339.524 1.623 20 0 EDADMP CCC[C@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000343338807 445204811 /nfs/dbraw/zinc/20/48/11/445204811.db2.gz LSBKICHSSHDAFL-GOSISDBHSA-N 2 1 347.507 1.440 20 0 EDADMP C[C@@H]1[C@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CCC[N@H+]1C ZINC000343424050 445219769 /nfs/dbraw/zinc/21/97/69/445219769.db2.gz CEEXTPOLPQZLPJ-KBAYOESNSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000346650329 445221349 /nfs/dbraw/zinc/22/13/49/445221349.db2.gz GVPPWVIRGGXKOY-YSHGAJCASA-N 2 1 327.472 1.775 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000346650329 445221352 /nfs/dbraw/zinc/22/13/52/445221352.db2.gz GVPPWVIRGGXKOY-YSHGAJCASA-N 2 1 327.472 1.775 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000346650329 445221353 /nfs/dbraw/zinc/22/13/53/445221353.db2.gz GVPPWVIRGGXKOY-YSHGAJCASA-N 2 1 327.472 1.775 20 0 EDADMP CC(C)N1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C)[C@@H]2c2ccnn2C)C1=O ZINC000346910795 445227627 /nfs/dbraw/zinc/22/76/27/445227627.db2.gz CWIOHASPKZSCKR-NJAFHUGGSA-N 2 1 347.507 1.744 20 0 EDADMP CC(C)N1CC[C@H](N(C)C[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)C1=O ZINC000346910795 445227629 /nfs/dbraw/zinc/22/76/29/445227629.db2.gz CWIOHASPKZSCKR-NJAFHUGGSA-N 2 1 347.507 1.744 20 0 EDADMP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000346972446 445228967 /nfs/dbraw/zinc/22/89/67/445228967.db2.gz HJNFWYNLISLZPV-INIZCTEOSA-N 2 1 329.510 1.312 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000343471187 445229057 /nfs/dbraw/zinc/22/90/57/445229057.db2.gz FDMQPKLCIHVOCF-WMZOPIPTSA-N 2 1 345.491 1.098 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)[N@@H+](C)C1 ZINC000347534452 445241727 /nfs/dbraw/zinc/24/17/27/445241727.db2.gz AAMWXXATCONZFM-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[N@@H+](C)C1 ZINC000347534455 445242235 /nfs/dbraw/zinc/24/22/35/445242235.db2.gz AAMWXXATCONZFM-KLHDSHLOSA-N 2 1 326.485 1.220 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NC2CCC(C[NH+](C)C)CC2)[N@@H+](C)C1 ZINC000347681139 445244614 /nfs/dbraw/zinc/24/46/14/445244614.db2.gz JMRXMIOVGMCQRA-BACDZXNISA-N 2 1 340.512 1.467 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000351639924 445253894 /nfs/dbraw/zinc/25/38/94/445253894.db2.gz RZPNQTDNTJWTLO-INIZCTEOSA-N 2 1 327.517 1.044 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000351639924 445253899 /nfs/dbraw/zinc/25/38/99/445253899.db2.gz RZPNQTDNTJWTLO-INIZCTEOSA-N 2 1 327.517 1.044 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000351639924 445253904 /nfs/dbraw/zinc/25/39/04/445253904.db2.gz RZPNQTDNTJWTLO-INIZCTEOSA-N 2 1 327.517 1.044 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000348093167 445265911 /nfs/dbraw/zinc/26/59/11/445265911.db2.gz ZEGPAHBXRDSUOQ-HOTGVXAUSA-N 2 1 332.427 1.526 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000348093167 445265913 /nfs/dbraw/zinc/26/59/13/445265913.db2.gz ZEGPAHBXRDSUOQ-HOTGVXAUSA-N 2 1 332.427 1.526 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000348530311 445315882 /nfs/dbraw/zinc/31/58/82/445315882.db2.gz LNQMNRRANLOXJW-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000348141374 445287291 /nfs/dbraw/zinc/28/72/91/445287291.db2.gz FSHJUISGPJJNBZ-UHFFFAOYSA-N 2 1 332.452 1.448 20 0 EDADMP CC[C@H](C(=O)N1CCO[C@H]2CC[NH+](C)C[C@@H]21)[N@@H+](C)Cc1ccccc1 ZINC000348589186 445333561 /nfs/dbraw/zinc/33/35/61/445333561.db2.gz QVFOISFFLUVKCP-QYZOEREBSA-N 2 1 345.487 1.829 20 0 EDADMP CC[C@H](C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21)[NH+](C)Cc1ccccc1 ZINC000348589186 445333566 /nfs/dbraw/zinc/33/35/66/445333566.db2.gz QVFOISFFLUVKCP-QYZOEREBSA-N 2 1 345.487 1.829 20 0 EDADMP CC[C@H](C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21)[NH+](C)Cc1ccccc1 ZINC000348589186 445333568 /nfs/dbraw/zinc/33/35/68/445333568.db2.gz QVFOISFFLUVKCP-QYZOEREBSA-N 2 1 345.487 1.829 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000362396932 445359706 /nfs/dbraw/zinc/35/97/06/445359706.db2.gz FZIYKFUBKUZLMF-HUUCEWRRSA-N 2 1 336.432 1.429 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000362396932 445359709 /nfs/dbraw/zinc/35/97/09/445359709.db2.gz FZIYKFUBKUZLMF-HUUCEWRRSA-N 2 1 336.432 1.429 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000362396932 445359713 /nfs/dbraw/zinc/35/97/13/445359713.db2.gz FZIYKFUBKUZLMF-HUUCEWRRSA-N 2 1 336.432 1.429 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000362396932 445359717 /nfs/dbraw/zinc/35/97/17/445359717.db2.gz FZIYKFUBKUZLMF-HUUCEWRRSA-N 2 1 336.432 1.429 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000351968872 445407056 /nfs/dbraw/zinc/40/70/56/445407056.db2.gz SWNVCYPZMFAZFE-HOCLYGCPSA-N 2 1 326.485 1.079 20 0 EDADMP CC[C@@H]1CC[C@H](C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)O1 ZINC000362506730 445416683 /nfs/dbraw/zinc/41/66/83/445416683.db2.gz NISLXNNZMXKMEQ-GVDBMIGSSA-N 2 1 325.497 1.819 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000352075373 445475629 /nfs/dbraw/zinc/47/56/29/445475629.db2.gz SFQBDJSUQZKKTC-DLBZAZTESA-N 2 1 339.505 1.693 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)C1 ZINC000357207375 445481877 /nfs/dbraw/zinc/48/18/77/445481877.db2.gz YQXNRKDDDXTEEW-MOPGFXCFSA-N 2 1 345.487 1.481 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[NH2+]Cc2cccc(O)c2)cc[nH+]1 ZINC000354929867 445433300 /nfs/dbraw/zinc/43/33/00/445433300.db2.gz WJDMRKICOZJKAX-HUUCEWRRSA-N 2 1 345.422 1.955 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000355096249 445443012 /nfs/dbraw/zinc/44/30/12/445443012.db2.gz BHRXGSIFQXGNQO-UHFFFAOYSA-N 2 1 328.501 1.207 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C2CCOCC2)CC1 ZINC000348950428 445452006 /nfs/dbraw/zinc/45/20/06/445452006.db2.gz QCTHIPFAMUIWBB-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN(C)[C@H](C[NH3+])C3CC3)CC2)c1 ZINC000359865844 445465993 /nfs/dbraw/zinc/46/59/93/445465993.db2.gz AKOICIZNAQQCFJ-LJQANCHMSA-N 2 1 344.503 1.308 20 0 EDADMP O=C(CCOC1C[NH2+]C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000348990385 445468209 /nfs/dbraw/zinc/46/82/09/445468209.db2.gz LBXOOAPZMGWNAM-UHFFFAOYSA-N 2 1 335.423 1.239 20 0 EDADMP O=C(CCOC1C[NH2+]C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000348990385 445468211 /nfs/dbraw/zinc/46/82/11/445468211.db2.gz LBXOOAPZMGWNAM-UHFFFAOYSA-N 2 1 335.423 1.239 20 0 EDADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000352126380 445508910 /nfs/dbraw/zinc/50/89/10/445508910.db2.gz SHDOKXJWQPYRIU-QUCCMNQESA-N 2 1 347.503 1.718 20 0 EDADMP CC[NH+](CC)[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)c1ccco1 ZINC000352385747 445524353 /nfs/dbraw/zinc/52/43/53/445524353.db2.gz MKKBSAZVLPHLJK-OAHLLOKOSA-N 2 1 345.447 2.401 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352495116 445534327 /nfs/dbraw/zinc/53/43/27/445534327.db2.gz IPMNPSVKGBTPJQ-BRWVUGGUSA-N 2 1 325.497 1.901 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352495116 445534329 /nfs/dbraw/zinc/53/43/29/445534329.db2.gz IPMNPSVKGBTPJQ-BRWVUGGUSA-N 2 1 325.497 1.901 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000355813343 445490952 /nfs/dbraw/zinc/49/09/52/445490952.db2.gz OJMSABORSABQID-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000355813343 445490955 /nfs/dbraw/zinc/49/09/55/445490955.db2.gz OJMSABORSABQID-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000355813343 445490959 /nfs/dbraw/zinc/49/09/59/445490959.db2.gz OJMSABORSABQID-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP COC(=O)c1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cn1C ZINC000349064728 445493413 /nfs/dbraw/zinc/49/34/13/445493413.db2.gz VWNJAFVQXJUWOJ-UHFFFAOYSA-N 2 1 336.480 1.270 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cn1C ZINC000349064728 445493415 /nfs/dbraw/zinc/49/34/15/445493415.db2.gz VWNJAFVQXJUWOJ-UHFFFAOYSA-N 2 1 336.480 1.270 20 0 EDADMP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000362805662 445557312 /nfs/dbraw/zinc/55/73/12/445557312.db2.gz MKHCFQCIKYHCJD-OAHLLOKOSA-N 2 1 341.415 1.560 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000349404127 445578445 /nfs/dbraw/zinc/57/84/45/445578445.db2.gz FCFNZSBGWGKUAJ-DLBZAZTESA-N 2 1 325.497 1.581 20 0 EDADMP CCN(CCC[NH+](CC)CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000349405432 445579515 /nfs/dbraw/zinc/57/95/15/445579515.db2.gz IIVQZHHLQZPSMA-UHFFFAOYSA-N 2 1 348.539 1.782 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC3=CCCOC3)CC2)C[C@H](C)O1 ZINC000349422869 445584670 /nfs/dbraw/zinc/58/46/70/445584670.db2.gz VXZCVRUEJKJDFV-CALCHBBNSA-N 2 1 338.492 1.923 20 0 EDADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC3=CCCOC3)CC2)C[C@H](C)O1 ZINC000349422869 445584673 /nfs/dbraw/zinc/58/46/73/445584673.db2.gz VXZCVRUEJKJDFV-CALCHBBNSA-N 2 1 338.492 1.923 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000358000247 445598951 /nfs/dbraw/zinc/59/89/51/445598951.db2.gz HZWLSCPNPOBVMW-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000358000247 445598956 /nfs/dbraw/zinc/59/89/56/445598956.db2.gz HZWLSCPNPOBVMW-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000360171054 445610086 /nfs/dbraw/zinc/61/00/86/445610086.db2.gz MQBZVDVXWZNCSN-HZPDHXFCSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000360171054 445610088 /nfs/dbraw/zinc/61/00/88/445610088.db2.gz MQBZVDVXWZNCSN-HZPDHXFCSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000360171054 445610093 /nfs/dbraw/zinc/61/00/93/445610093.db2.gz MQBZVDVXWZNCSN-HZPDHXFCSA-N 2 1 340.512 1.071 20 0 EDADMP CO[C@H](C[NH3+])C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000353464072 445614009 /nfs/dbraw/zinc/61/40/09/445614009.db2.gz WYQGPYDDQSVDNH-SJORKVTESA-N 2 1 333.476 1.549 20 0 EDADMP COc1ccc2nc(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)[nH]c2n1 ZINC000353472751 445617346 /nfs/dbraw/zinc/61/73/46/445617346.db2.gz BLYZYADWOCWNAJ-ZDUSSCGKSA-N 2 1 347.463 1.491 20 0 EDADMP COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358513119 445626089 /nfs/dbraw/zinc/62/60/89/445626089.db2.gz VYFNCRYOMFWOHD-OAHLLOKOSA-N 2 1 331.460 1.948 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000363001440 445645313 /nfs/dbraw/zinc/64/53/13/445645313.db2.gz NNQFPVJDQRRVFG-QAPCUYQASA-N 2 1 330.476 1.954 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000358553552 445647610 /nfs/dbraw/zinc/64/76/10/445647610.db2.gz BYZOJNZATPHPJD-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP COc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C)c1 ZINC000363054411 445663170 /nfs/dbraw/zinc/66/31/70/445663170.db2.gz SNGQTEUPSZGFAG-OAHLLOKOSA-N 2 1 331.460 1.902 20 0 EDADMP COc1ccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000363054411 445663176 /nfs/dbraw/zinc/66/31/76/445663176.db2.gz SNGQTEUPSZGFAG-OAHLLOKOSA-N 2 1 331.460 1.902 20 0 EDADMP CC(C)OCC[C@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000349854920 445699812 /nfs/dbraw/zinc/69/98/12/445699812.db2.gz PMRFIRXQYJMRHI-MSOLQXFVSA-N 2 1 327.513 1.264 20 0 EDADMP CC(C)OCC[C@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000349854920 445699818 /nfs/dbraw/zinc/69/98/18/445699818.db2.gz PMRFIRXQYJMRHI-MSOLQXFVSA-N 2 1 327.513 1.264 20 0 EDADMP O=C(C[NH2+]Cc1cnn2ccccc12)NCC[NH+]1CCCCCC1 ZINC000353668962 445700613 /nfs/dbraw/zinc/70/06/13/445700613.db2.gz HAPJUZHQBUFCCY-UHFFFAOYSA-N 2 1 329.448 1.416 20 0 EDADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000349903889 445716961 /nfs/dbraw/zinc/71/69/61/445716961.db2.gz IBKRKOTWVBVPPI-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000358700186 445725911 /nfs/dbraw/zinc/72/59/11/445725911.db2.gz YZTWLUSZTVAUGS-JFIYKMOQSA-N 2 1 340.512 1.110 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(CCCC(=O)OC)CC2)C1 ZINC000361467882 445773354 /nfs/dbraw/zinc/77/33/54/445773354.db2.gz YGWAVWZEUOVZFT-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP CCC[N@@H+]1CC[C@@H](CNC2CC[NH+](CCCC(=O)OC)CC2)C1 ZINC000361467882 445773355 /nfs/dbraw/zinc/77/33/55/445773355.db2.gz YGWAVWZEUOVZFT-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC2CC[NH+](CCCC(=O)OC)CC2)C1 ZINC000361467882 445773357 /nfs/dbraw/zinc/77/33/57/445773357.db2.gz YGWAVWZEUOVZFT-INIZCTEOSA-N 3 1 325.497 1.726 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)C2([NH3+])CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000353752362 445738461 /nfs/dbraw/zinc/73/84/61/445738461.db2.gz GEQFBHPDVWLGLP-AEFFLSMTSA-N 2 1 345.487 1.911 20 0 EDADMP Cc1c[nH]nc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000356341604 445743268 /nfs/dbraw/zinc/74/32/68/445743268.db2.gz KYVLZXLSNDKBCS-UHFFFAOYSA-N 2 1 333.480 1.532 20 0 EDADMP Cc1cn[nH]c1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000356341604 445743271 /nfs/dbraw/zinc/74/32/71/445743271.db2.gz KYVLZXLSNDKBCS-UHFFFAOYSA-N 2 1 333.480 1.532 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C1CC[NH2+]CC1 ZINC000353762134 445743628 /nfs/dbraw/zinc/74/36/28/445743628.db2.gz XUHNXPUMGIZTLP-INIZCTEOSA-N 2 1 339.480 1.252 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCc3nccn3C2)C[C@H](C)O1 ZINC000363266772 445747069 /nfs/dbraw/zinc/74/70/69/445747069.db2.gz WCJSVXTUKWZKLH-QLFBSQMISA-N 2 1 334.464 1.450 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCc3nccn3C2)C[C@H](C)O1 ZINC000363266772 445747075 /nfs/dbraw/zinc/74/70/75/445747075.db2.gz WCJSVXTUKWZKLH-QLFBSQMISA-N 2 1 334.464 1.450 20 0 EDADMP CC(=O)NCCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358862730 445817130 /nfs/dbraw/zinc/81/71/30/445817130.db2.gz BCAAWWCJQGFSJV-HOTGVXAUSA-N 2 1 341.496 1.103 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000358819790 445791295 /nfs/dbraw/zinc/79/12/95/445791295.db2.gz XSOMQRHNLCRHMU-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000358819790 445791304 /nfs/dbraw/zinc/79/13/04/445791304.db2.gz XSOMQRHNLCRHMU-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000358819790 445791308 /nfs/dbraw/zinc/79/13/08/445791308.db2.gz XSOMQRHNLCRHMU-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1CN1C(=O)N[C@H](Cc2cnc[nH]2)C1=O ZINC000358999201 445880744 /nfs/dbraw/zinc/88/07/44/445880744.db2.gz UJTGEWVVAFYOSO-LSDHHAIUSA-N 2 1 333.436 1.527 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CN1C(=O)N[C@H](Cc2cnc[nH]2)C1=O ZINC000358999201 445880747 /nfs/dbraw/zinc/88/07/47/445880747.db2.gz UJTGEWVVAFYOSO-LSDHHAIUSA-N 2 1 333.436 1.527 20 0 EDADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000353971275 445834419 /nfs/dbraw/zinc/83/44/19/445834419.db2.gz JICPQFDMMBXFNW-OAHLLOKOSA-N 2 1 331.526 1.653 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000358961491 445866496 /nfs/dbraw/zinc/86/64/96/445866496.db2.gz VHLSPCIYYSFZFH-INIZCTEOSA-N 2 1 341.544 1.432 20 0 EDADMP C[NH+]1CCC([C@H]2CCN(C(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000372885258 445904072 /nfs/dbraw/zinc/90/40/72/445904072.db2.gz VIZPEOMABUDGHY-KRWDZBQOSA-N 2 1 338.496 1.082 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC3(CCC3)C[C@@H]2C)C1 ZINC000373025085 445982274 /nfs/dbraw/zinc/98/22/74/445982274.db2.gz KLURWBLSAVCDAZ-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC3(CCC3)C[C@@H]2C)C1 ZINC000373025085 445982278 /nfs/dbraw/zinc/98/22/78/445982278.db2.gz KLURWBLSAVCDAZ-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC3(CCC3)C[C@@H]2C)C1 ZINC000373025085 445982283 /nfs/dbraw/zinc/98/22/83/445982283.db2.gz KLURWBLSAVCDAZ-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP COC(=O)[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000354244437 446040651 /nfs/dbraw/zinc/04/06/51/446040651.db2.gz PPMKSPCKQJZEAH-HUUCEWRRSA-N 2 1 326.437 1.147 20 0 EDADMP C[C@H]1CN(CCNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCO1 ZINC000583211656 326027958 /nfs/dbraw/zinc/02/79/58/326027958.db2.gz CQFGUIWEKBLOMQ-BBRMVZONSA-N 2 1 339.867 1.780 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)CC1 ZINC000583265219 326038475 /nfs/dbraw/zinc/03/84/75/326038475.db2.gz HDJWNKXOFCVGCK-BEFAXECRSA-N 2 1 344.459 1.003 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000359222911 446052479 /nfs/dbraw/zinc/05/24/79/446052479.db2.gz JHASRIHIJRTIHL-GOSISDBHSA-N 2 1 342.487 1.971 20 0 EDADMP O=C(NCCC[NH+]1CCc2ccccc2C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359222911 446052484 /nfs/dbraw/zinc/05/24/84/446052484.db2.gz JHASRIHIJRTIHL-GOSISDBHSA-N 2 1 342.487 1.971 20 0 EDADMP O=C(NCCC[NH+]1CCc2ccccc2C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359222911 446052490 /nfs/dbraw/zinc/05/24/90/446052490.db2.gz JHASRIHIJRTIHL-GOSISDBHSA-N 2 1 342.487 1.971 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2cncs2)CC1 ZINC000583477638 326079163 /nfs/dbraw/zinc/07/91/63/326079163.db2.gz UAHIQZCQVLPRHM-UHFFFAOYSA-N 2 1 331.445 1.861 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3([NH3+])CCC3)C2)cc(OC)c1 ZINC000583691838 326120081 /nfs/dbraw/zinc/12/00/81/326120081.db2.gz RAUNHXQWEKLSES-CQSZACIVSA-N 2 1 333.432 1.276 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C3([NH3+])CCC3)C2)cc(OC)c1 ZINC000583691838 326120083 /nfs/dbraw/zinc/12/00/83/326120083.db2.gz RAUNHXQWEKLSES-CQSZACIVSA-N 2 1 333.432 1.276 20 0 EDADMP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000583743521 326130497 /nfs/dbraw/zinc/13/04/97/326130497.db2.gz UPXBJQQIPWBLBS-NVXWUHKLSA-N 2 1 346.475 1.392 20 0 EDADMP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000583743521 326130499 /nfs/dbraw/zinc/13/04/99/326130499.db2.gz UPXBJQQIPWBLBS-NVXWUHKLSA-N 2 1 346.475 1.392 20 0 EDADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584182982 326217183 /nfs/dbraw/zinc/21/71/83/326217183.db2.gz QTXPUYVFVMUMKO-NVXWUHKLSA-N 2 1 341.883 1.762 20 0 EDADMP CCC[C@H](C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+](C)C ZINC000373167247 446070670 /nfs/dbraw/zinc/07/06/70/446070670.db2.gz PQRNXFTXNBQCIX-QBPKDAKJSA-N 2 1 325.497 1.817 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C[C@@H](O)C[NH+](C)C3CC3)CC2)C[C@H](C)O1 ZINC000351474850 446075729 /nfs/dbraw/zinc/07/57/29/446075729.db2.gz HNNTXNOTOYNGOV-FCEWJHQRSA-N 2 1 339.524 1.263 20 0 EDADMP C[C@@H]1C[NH+](CC2CCN(C[C@@H](O)C[N@H+](C)C3CC3)CC2)C[C@H](C)O1 ZINC000351474850 446075740 /nfs/dbraw/zinc/07/57/40/446075740.db2.gz HNNTXNOTOYNGOV-FCEWJHQRSA-N 2 1 339.524 1.263 20 0 EDADMP C[C@@H]1C[NH+](CC2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)CC2)C[C@H](C)O1 ZINC000351474850 446075747 /nfs/dbraw/zinc/07/57/47/446075747.db2.gz HNNTXNOTOYNGOV-FCEWJHQRSA-N 2 1 339.524 1.263 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H](O)CN(C)C3CC3)CC2)C[C@H](C)O1 ZINC000351474850 446075755 /nfs/dbraw/zinc/07/57/55/446075755.db2.gz HNNTXNOTOYNGOV-FCEWJHQRSA-N 2 1 339.524 1.263 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H](O)CN(C)C3CC3)CC2)C[C@H](C)O1 ZINC000351474850 446075765 /nfs/dbraw/zinc/07/57/65/446075765.db2.gz HNNTXNOTOYNGOV-FCEWJHQRSA-N 2 1 339.524 1.263 20 0 EDADMP C[C@@H]1CN([C@@H](CNc2cc[nH+]c(N(C)C)n2)c2cccs2)CCO1 ZINC000354353978 446137425 /nfs/dbraw/zinc/13/74/25/446137425.db2.gz OANBYRAQGURCRO-KGLIPLIRSA-N 2 1 347.488 2.478 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351493101 446097343 /nfs/dbraw/zinc/09/73/43/446097343.db2.gz LURATASJTKJNNU-DHMWGJHJSA-N 2 1 331.416 1.454 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351493101 446097347 /nfs/dbraw/zinc/09/73/47/446097347.db2.gz LURATASJTKJNNU-DHMWGJHJSA-N 2 1 331.416 1.454 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC000354345745 446129436 /nfs/dbraw/zinc/12/94/36/446129436.db2.gz DIPKNOZQNVIJFH-MSOLQXFVSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)CC2)[nH+]c1 ZINC000365354139 446164744 /nfs/dbraw/zinc/16/47/44/446164744.db2.gz JHSXWMMBXDTIOO-WBVHZDCISA-N 2 1 328.460 1.817 20 0 EDADMP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)C(C)C ZINC000359389870 446192644 /nfs/dbraw/zinc/19/26/44/446192644.db2.gz MJCGKEKQFRLVDQ-JKSUJKDBSA-N 2 1 340.512 1.210 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000359351310 446167469 /nfs/dbraw/zinc/16/74/69/446167469.db2.gz ZBHUDZZSFUQMQU-DLBZAZTESA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1CO ZINC000362072096 446193105 /nfs/dbraw/zinc/19/31/05/446193105.db2.gz KLVRGKNILPJARU-VQIMIIECSA-N 2 1 345.487 1.459 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000365374664 446175199 /nfs/dbraw/zinc/17/51/99/446175199.db2.gz BYPZXYHIEFKSFW-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000365374664 446175205 /nfs/dbraw/zinc/17/52/05/446175205.db2.gz BYPZXYHIEFKSFW-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000365374664 446175210 /nfs/dbraw/zinc/17/52/10/446175210.db2.gz BYPZXYHIEFKSFW-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000365374664 446175216 /nfs/dbraw/zinc/17/52/16/446175216.db2.gz BYPZXYHIEFKSFW-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCCC(=O)NC(N)=O ZINC000370169455 446186655 /nfs/dbraw/zinc/18/66/55/446186655.db2.gz PREQRSTVCVZEKX-DOTOQJQBSA-N 2 1 346.475 1.804 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCCC(=O)NC(N)=O ZINC000370169455 446186661 /nfs/dbraw/zinc/18/66/61/446186661.db2.gz PREQRSTVCVZEKX-DOTOQJQBSA-N 2 1 346.475 1.804 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCCC(=O)NC(N)=O ZINC000370169455 446186665 /nfs/dbraw/zinc/18/66/65/446186665.db2.gz PREQRSTVCVZEKX-DOTOQJQBSA-N 2 1 346.475 1.804 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCCC(=O)NC(N)=O ZINC000370169455 446186673 /nfs/dbraw/zinc/18/66/73/446186673.db2.gz PREQRSTVCVZEKX-DOTOQJQBSA-N 2 1 346.475 1.804 20 0 EDADMP COCCc1noc(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000362104713 446215753 /nfs/dbraw/zinc/21/57/53/446215753.db2.gz FGKSBNGUASXPFA-AWEZNQCLSA-N 2 1 334.464 1.955 20 0 EDADMP COCCc1noc(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000362104713 446215755 /nfs/dbraw/zinc/21/57/55/446215755.db2.gz FGKSBNGUASXPFA-AWEZNQCLSA-N 2 1 334.464 1.955 20 0 EDADMP COc1ccccc1CCNC(=O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366498542 446239050 /nfs/dbraw/zinc/23/90/50/446239050.db2.gz UFAHUJWOVGHCOY-LJQANCHMSA-N 2 1 331.460 1.382 20 0 EDADMP CCOCC[C@H](O)C[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000365623837 446278282 /nfs/dbraw/zinc/27/82/82/446278282.db2.gz DFEFPYBSARYFKY-RBUKOAKNSA-N 2 1 336.476 1.343 20 0 EDADMP CCOCC[C@H](O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365623837 446278288 /nfs/dbraw/zinc/27/82/88/446278288.db2.gz DFEFPYBSARYFKY-RBUKOAKNSA-N 2 1 336.476 1.343 20 0 EDADMP CCOCC[C@H](O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365623837 446278292 /nfs/dbraw/zinc/27/82/92/446278292.db2.gz DFEFPYBSARYFKY-RBUKOAKNSA-N 2 1 336.476 1.343 20 0 EDADMP CCOCC[C@H](O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000365623837 446278297 /nfs/dbraw/zinc/27/82/97/446278297.db2.gz DFEFPYBSARYFKY-RBUKOAKNSA-N 2 1 336.476 1.343 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCOC)C[C@@H]2CC=CCC2)CC1 ZINC000362246504 446284332 /nfs/dbraw/zinc/28/43/32/446284332.db2.gz ZYVYZPVKTKABAZ-QGZVFWFLSA-N 2 1 337.508 1.892 20 0 EDADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)N2CCOCC2)cc1 ZINC000359597562 446312021 /nfs/dbraw/zinc/31/20/21/446312021.db2.gz ZSMHRGDXDSJALQ-AHRSYUTCSA-N 2 1 347.503 1.998 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC000362272484 446297640 /nfs/dbraw/zinc/29/76/40/446297640.db2.gz GAQGBPVFSUYHBS-KBAYOESNSA-N 2 1 337.508 1.914 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC000362272484 446297644 /nfs/dbraw/zinc/29/76/44/446297644.db2.gz GAQGBPVFSUYHBS-KBAYOESNSA-N 2 1 337.508 1.914 20 0 EDADMP COC[C@@]1(CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000417547972 446363835 /nfs/dbraw/zinc/36/38/35/446363835.db2.gz HNXJPEORFOYBPF-WBVHZDCISA-N 2 1 326.485 1.175 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000417671931 446369685 /nfs/dbraw/zinc/36/96/85/446369685.db2.gz RMAXCSHFWCFIKF-TWMKSMIVSA-N 2 1 340.512 1.563 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000418187083 446452264 /nfs/dbraw/zinc/45/22/64/446452264.db2.gz SOJIAIQEDBCZMJ-IKGGRYGDSA-N 2 1 334.464 1.485 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000418187083 446452269 /nfs/dbraw/zinc/45/22/69/446452269.db2.gz SOJIAIQEDBCZMJ-IKGGRYGDSA-N 2 1 334.464 1.485 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000370774497 446431934 /nfs/dbraw/zinc/43/19/34/446431934.db2.gz RRVRKDBCYWBARK-LUKYLMHMSA-N 2 1 333.501 1.828 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418076090 446432925 /nfs/dbraw/zinc/43/29/25/446432925.db2.gz QYBGEJRFBPGRNN-DOTOQJQBSA-N 2 1 334.464 1.172 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000370775103 446433526 /nfs/dbraw/zinc/43/35/26/446433526.db2.gz UYQMYRPCWVPCDA-KRWDZBQOSA-N 2 1 348.491 1.499 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000431796418 446434397 /nfs/dbraw/zinc/43/43/97/446434397.db2.gz KPAKJSPKMBMBSO-AEFFLSMTSA-N 2 1 337.508 1.699 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000431796418 446434403 /nfs/dbraw/zinc/43/44/03/446434403.db2.gz KPAKJSPKMBMBSO-AEFFLSMTSA-N 2 1 337.508 1.699 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000431796419 446434440 /nfs/dbraw/zinc/43/44/40/446434440.db2.gz KPAKJSPKMBMBSO-FUHWJXTLSA-N 2 1 337.508 1.699 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000431796419 446434445 /nfs/dbraw/zinc/43/44/45/446434445.db2.gz KPAKJSPKMBMBSO-FUHWJXTLSA-N 2 1 337.508 1.699 20 0 EDADMP Cn1cc[nH+]c1N1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000431846296 446436873 /nfs/dbraw/zinc/43/68/73/446436873.db2.gz RQHFPTJLKVNILQ-QGZVFWFLSA-N 2 1 345.491 1.866 20 0 EDADMP Cn1cc[nH+]c1N1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000431846296 446436874 /nfs/dbraw/zinc/43/68/74/446436874.db2.gz RQHFPTJLKVNILQ-QGZVFWFLSA-N 2 1 345.491 1.866 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000370731348 446407462 /nfs/dbraw/zinc/40/74/62/446407462.db2.gz WALAHSLRHCQQQO-DJIMGWMZSA-N 2 1 336.480 1.118 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)NC[C@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000417999902 446411349 /nfs/dbraw/zinc/41/13/49/446411349.db2.gz WSJQODXUMMJQOY-JEBQAFNWSA-N 2 1 346.475 1.867 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418009445 446414279 /nfs/dbraw/zinc/41/42/79/446414279.db2.gz IITBBZDTGCGDRK-YSHGAJCASA-N 2 1 342.487 1.758 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000418191167 446454360 /nfs/dbraw/zinc/45/43/60/446454360.db2.gz KKYGMACMSOVUKI-OWLYRPNTSA-N 2 1 328.460 1.510 20 0 EDADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000420291759 446456211 /nfs/dbraw/zinc/45/62/11/446456211.db2.gz KSALHAYFOJHECT-HZPDHXFCSA-N 2 1 346.475 1.417 20 0 EDADMP Cc1cc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC000418204390 446456846 /nfs/dbraw/zinc/45/68/46/446456846.db2.gz XOXOUCFLJDMMID-MRXNPFEDSA-N 2 1 347.463 1.249 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000376406220 446479093 /nfs/dbraw/zinc/47/90/93/446479093.db2.gz CWDWKMDYFXUBSG-VAMGGRTRSA-N 3 1 334.552 1.819 20 0 EDADMP CC(C)[NH+]1CCN(CCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000376406220 446479096 /nfs/dbraw/zinc/47/90/96/446479096.db2.gz CWDWKMDYFXUBSG-VAMGGRTRSA-N 3 1 334.552 1.819 20 0 EDADMP CC(C)[NH+]1CCN(CCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000376406220 446479098 /nfs/dbraw/zinc/47/90/98/446479098.db2.gz CWDWKMDYFXUBSG-VAMGGRTRSA-N 3 1 334.552 1.819 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000420314486 446479628 /nfs/dbraw/zinc/47/96/28/446479628.db2.gz KCPHARZLIQSQIS-QGZVFWFLSA-N 2 1 341.459 1.740 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418338913 446507149 /nfs/dbraw/zinc/50/71/49/446507149.db2.gz DPKKUFIHZWJBOA-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418338913 446507158 /nfs/dbraw/zinc/50/71/58/446507158.db2.gz DPKKUFIHZWJBOA-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000418349749 446508435 /nfs/dbraw/zinc/50/84/35/446508435.db2.gz XXSBTSGGELRZJL-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP Cn1ccnc1[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000423385464 446512205 /nfs/dbraw/zinc/51/22/05/446512205.db2.gz KRWKWHYDCVUAML-QWHCGFSZSA-N 2 1 331.386 1.297 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418381655 446522565 /nfs/dbraw/zinc/52/25/65/446522565.db2.gz MGIGBNIWZHXYLF-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420348015 446523267 /nfs/dbraw/zinc/52/32/67/446523267.db2.gz JCIORVVONLFOSL-HOCLYGCPSA-N 2 1 348.516 1.715 20 0 EDADMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420348015 446523272 /nfs/dbraw/zinc/52/32/72/446523272.db2.gz JCIORVVONLFOSL-HOCLYGCPSA-N 2 1 348.516 1.715 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420347694 446523495 /nfs/dbraw/zinc/52/34/95/446523495.db2.gz ZEWPZSKILBTWGT-BMFZPTHFSA-N 2 1 344.459 1.305 20 0 EDADMP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420348013 446523592 /nfs/dbraw/zinc/52/35/92/446523592.db2.gz JCIORVVONLFOSL-GDBMZVCRSA-N 2 1 348.516 1.715 20 0 EDADMP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420348013 446523597 /nfs/dbraw/zinc/52/35/97/446523597.db2.gz JCIORVVONLFOSL-GDBMZVCRSA-N 2 1 348.516 1.715 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000418430881 446541046 /nfs/dbraw/zinc/54/10/46/446541046.db2.gz PLWIQIMBMXWJIB-UAGQMJEPSA-N 2 1 334.464 1.173 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000418452850 446548970 /nfs/dbraw/zinc/54/89/70/446548970.db2.gz YIZGLXBRMWLWTM-IRXDYDNUSA-N 2 1 339.528 1.315 20 0 EDADMP CCC[C@@H]1CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[N@H+]1CCOC ZINC000420373279 446551840 /nfs/dbraw/zinc/55/18/40/446551840.db2.gz MKRULWAHZHMOQQ-AABGKKOBSA-N 2 1 349.519 1.350 20 0 EDADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000423480352 446552729 /nfs/dbraw/zinc/55/27/29/446552729.db2.gz VUCVCDDZTDQGQA-GSEOLPGOSA-N 3 1 347.478 1.875 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000420375674 446552889 /nfs/dbraw/zinc/55/28/89/446552889.db2.gz JGXQFVUZIUBYOG-GOEBONIOSA-N 2 1 349.475 1.279 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000420375674 446552893 /nfs/dbraw/zinc/55/28/93/446552893.db2.gz JGXQFVUZIUBYOG-GOEBONIOSA-N 2 1 349.475 1.279 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000420403472 446576872 /nfs/dbraw/zinc/57/68/72/446576872.db2.gz KYWVMBSQKAEPIC-PKOBYXMFSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000420403472 446576876 /nfs/dbraw/zinc/57/68/76/446576876.db2.gz KYWVMBSQKAEPIC-PKOBYXMFSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@H]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000420403472 446576879 /nfs/dbraw/zinc/57/68/79/446576879.db2.gz KYWVMBSQKAEPIC-PKOBYXMFSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@H](CC[NH+]1C[C@@H]2CC[C@H](O)[C@H]2C1)CC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000411510548 446577905 /nfs/dbraw/zinc/57/79/05/446577905.db2.gz YXTOMPUKKUAMAW-OWLVHUDESA-N 2 1 336.520 1.808 20 0 EDADMP C[C@@H](CC[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000411510548 446577915 /nfs/dbraw/zinc/57/79/15/446577915.db2.gz YXTOMPUKKUAMAW-OWLVHUDESA-N 2 1 336.520 1.808 20 0 EDADMP C[C@@H](CC[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)CC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000411510548 446577922 /nfs/dbraw/zinc/57/79/22/446577922.db2.gz YXTOMPUKKUAMAW-OWLVHUDESA-N 2 1 336.520 1.808 20 0 EDADMP [NH3+]CC1(O)CC[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000420408839 446581547 /nfs/dbraw/zinc/58/15/47/446581547.db2.gz XAMXYVAEJPOKKN-UHFFFAOYSA-N 2 1 347.337 1.309 20 0 EDADMP C[C@@H](NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000420408469 446581712 /nfs/dbraw/zinc/58/17/12/446581712.db2.gz WDEZKUSGAOJAGR-GFCCVEGCSA-N 2 1 325.840 1.303 20 0 EDADMP CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000420408453 446581986 /nfs/dbraw/zinc/58/19/86/446581986.db2.gz WBTCWBQVZFNUAN-MRXNPFEDSA-N 2 1 347.503 1.848 20 0 EDADMP Cn1ccnc1[C@@](O)(C[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C(F)(F)F ZINC000367756057 446585372 /nfs/dbraw/zinc/58/53/72/446585372.db2.gz RMHGUUZTJWGBML-ABHRYQDASA-N 2 1 346.397 1.632 20 0 EDADMP Cn1ccnc1[C@@](O)(C[NH2+][C@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C(F)(F)F ZINC000367756057 446585377 /nfs/dbraw/zinc/58/53/77/446585377.db2.gz RMHGUUZTJWGBML-ABHRYQDASA-N 2 1 346.397 1.632 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000418569740 446598287 /nfs/dbraw/zinc/59/82/87/446598287.db2.gz HYFZSVSAOMICDQ-FUHWJXTLSA-N 2 1 330.476 1.820 20 0 EDADMP [NH3+]CCC[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000418665034 446640937 /nfs/dbraw/zinc/64/09/37/446640937.db2.gz DLMTYTDSLXTMHP-ROUUACIJSA-N 2 1 348.491 1.613 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000423747596 446677121 /nfs/dbraw/zinc/67/71/21/446677121.db2.gz SRBDHQYCWOOTBD-MOPGFXCFSA-N 2 1 344.503 1.705 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000423650544 446624839 /nfs/dbraw/zinc/62/48/39/446624839.db2.gz LELNPXJBEFZARJ-KRWDZBQOSA-N 2 1 345.443 1.751 20 0 EDADMP CC(C)(C[N@@H+]1CCn2ccnc2C1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000368078873 446627703 /nfs/dbraw/zinc/62/77/03/446627703.db2.gz LHTPBMXDHOANHJ-HNNXBMFYSA-N 2 1 345.491 1.325 20 0 EDADMP CC(C)(C[N@H+]1CCn2ccnc2C1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000368078873 446627707 /nfs/dbraw/zinc/62/77/07/446627707.db2.gz LHTPBMXDHOANHJ-HNNXBMFYSA-N 2 1 345.491 1.325 20 0 EDADMP CC(C)(C[NH+]1CCn2ccnc2C1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000368078873 446627710 /nfs/dbraw/zinc/62/77/10/446627710.db2.gz LHTPBMXDHOANHJ-HNNXBMFYSA-N 2 1 345.491 1.325 20 0 EDADMP CC(C)(C[NH+]1CCn2ccnc2C1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000368078873 446627713 /nfs/dbraw/zinc/62/77/13/446627713.db2.gz LHTPBMXDHOANHJ-HNNXBMFYSA-N 2 1 345.491 1.325 20 0 EDADMP NC(=O)c1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000371108293 446632391 /nfs/dbraw/zinc/63/23/91/446632391.db2.gz RHPNXDBZYPTNCU-HRCADAONSA-N 2 1 328.460 1.581 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C[C@H](C)O1 ZINC000423759291 446688587 /nfs/dbraw/zinc/68/85/87/446688587.db2.gz HSZZNNPEYTWBRS-JKIFEVAISA-N 2 1 337.439 1.436 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C[C@H](C)O1 ZINC000423759291 446688593 /nfs/dbraw/zinc/68/85/93/446688593.db2.gz HSZZNNPEYTWBRS-JKIFEVAISA-N 2 1 337.439 1.436 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCC[C@]3(C)[NH3+])CC2)cn1 ZINC000423759025 446689834 /nfs/dbraw/zinc/68/98/34/446689834.db2.gz OOEITIGNTXCCHK-MJGOQNOKSA-N 2 1 347.507 1.845 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCCC[C@]3(C)[NH3+])CC2)cn1 ZINC000423759025 446689842 /nfs/dbraw/zinc/68/98/42/446689842.db2.gz OOEITIGNTXCCHK-MJGOQNOKSA-N 2 1 347.507 1.845 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000418787590 446701982 /nfs/dbraw/zinc/70/19/82/446701982.db2.gz JDXBSMXDGVDJHZ-FGTMMUONSA-N 2 1 342.487 1.900 20 0 EDADMP CCc1nnc(N2CCC[N@@H+](C3CCN(CC)CC3)CC2)nc1CC ZINC000420619613 446706777 /nfs/dbraw/zinc/70/67/77/446706777.db2.gz ADJBIXOZRPAJPR-UHFFFAOYSA-N 2 1 346.523 1.993 20 0 EDADMP CCc1nnc(N2CCC[N@H+](C3CCN(CC)CC3)CC2)nc1CC ZINC000420619613 446706784 /nfs/dbraw/zinc/70/67/84/446706784.db2.gz ADJBIXOZRPAJPR-UHFFFAOYSA-N 2 1 346.523 1.993 20 0 EDADMP C[NH2+][C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1cnn(C)c1 ZINC000423752940 446684097 /nfs/dbraw/zinc/68/40/97/446684097.db2.gz BEBANEQYTOYRBK-GOSISDBHSA-N 2 1 341.459 1.958 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CN3CCCC[C@H]3CO2)CC[N@H+]1C ZINC000371287912 446746171 /nfs/dbraw/zinc/74/61/71/446746171.db2.gz VCBUNZZIGRFGBE-NCOADZHNSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2C[NH+]3CCCC[C@H]3CO2)CC[N@H+]1C ZINC000371287912 446746182 /nfs/dbraw/zinc/74/61/82/446746182.db2.gz VCBUNZZIGRFGBE-NCOADZHNSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)CC[NH+]1C ZINC000371287912 446746190 /nfs/dbraw/zinc/74/61/90/446746190.db2.gz VCBUNZZIGRFGBE-NCOADZHNSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)CC[NH+]1C ZINC000371287912 446746194 /nfs/dbraw/zinc/74/61/94/446746194.db2.gz VCBUNZZIGRFGBE-NCOADZHNSA-N 2 1 338.496 1.364 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)C1 ZINC000376841602 446747758 /nfs/dbraw/zinc/74/77/58/446747758.db2.gz ZYXPUOMEWGCKJV-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+](CCNC(=O)C(C)(C)C[NH+]1CCn2ccnc2C1)C1CCCC1 ZINC000376876704 446770945 /nfs/dbraw/zinc/77/09/45/446770945.db2.gz NUDMIDIMVOPAPX-UHFFFAOYSA-N 2 1 347.507 1.716 20 0 EDADMP C[N@@H+](CCNC(=O)C(C)(C)C[NH+]1CCn2ccnc2C1)C1CCCC1 ZINC000376876704 446770950 /nfs/dbraw/zinc/77/09/50/446770950.db2.gz NUDMIDIMVOPAPX-UHFFFAOYSA-N 2 1 347.507 1.716 20 0 EDADMP C[NH+](CCNC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1)C1CCCC1 ZINC000376876704 446770954 /nfs/dbraw/zinc/77/09/54/446770954.db2.gz NUDMIDIMVOPAPX-UHFFFAOYSA-N 2 1 347.507 1.716 20 0 EDADMP C[NH+](CCNC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1)C1CCCC1 ZINC000376876704 446770961 /nfs/dbraw/zinc/77/09/61/446770961.db2.gz NUDMIDIMVOPAPX-UHFFFAOYSA-N 2 1 347.507 1.716 20 0 EDADMP C[N@H+]1CCC[C@H]1CCN1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000371321403 446772748 /nfs/dbraw/zinc/77/27/48/446772748.db2.gz QFAWFMYLOLIJQK-INIZCTEOSA-N 2 1 341.463 1.269 20 0 EDADMP C[N@@H+](CCN1CCN([C@@H]2CCC[NH+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000375399672 446774173 /nfs/dbraw/zinc/77/41/73/446774173.db2.gz ACQAEOASXBHULK-HXUWFJFHSA-N 2 1 348.510 1.969 20 0 EDADMP C[NH+](CCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000375399672 446774177 /nfs/dbraw/zinc/77/41/77/446774177.db2.gz ACQAEOASXBHULK-HXUWFJFHSA-N 2 1 348.510 1.969 20 0 EDADMP C[NH+](CCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000375399672 446774180 /nfs/dbraw/zinc/77/41/80/446774180.db2.gz ACQAEOASXBHULK-HXUWFJFHSA-N 2 1 348.510 1.969 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC[N@H+]1C ZINC000418959166 446829084 /nfs/dbraw/zinc/82/90/84/446829084.db2.gz HFHYNCKDCSEQSO-GOEBONIOSA-N 2 1 338.496 1.014 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)C1 ZINC000371419659 446843386 /nfs/dbraw/zinc/84/33/86/446843386.db2.gz OOXOULVPPUVNGS-LJQANCHMSA-N 2 1 340.475 1.479 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)C1 ZINC000371419659 446843387 /nfs/dbraw/zinc/84/33/87/446843387.db2.gz OOXOULVPPUVNGS-LJQANCHMSA-N 2 1 340.475 1.479 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000371424107 446847833 /nfs/dbraw/zinc/84/78/33/446847833.db2.gz MBQPGPHIWQWRII-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000371424107 446847839 /nfs/dbraw/zinc/84/78/39/446847839.db2.gz MBQPGPHIWQWRII-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCc2nc[nH]c2C1 ZINC000371446349 446861591 /nfs/dbraw/zinc/86/15/91/446861591.db2.gz CUVVTJFHGFMZOH-AWEZNQCLSA-N 2 1 332.448 1.418 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000419023843 446870983 /nfs/dbraw/zinc/87/09/83/446870983.db2.gz JZLBYDRSVFNPPF-GJZGRUSLSA-N 2 1 340.512 1.247 20 0 EDADMP COCC1(O)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420931197 446902395 /nfs/dbraw/zinc/90/23/95/446902395.db2.gz GBMYRWVKLDNPEA-UHFFFAOYSA-N 2 1 334.460 1.492 20 0 EDADMP CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420925067 446895600 /nfs/dbraw/zinc/89/56/00/446895600.db2.gz VIRDJOXQEONZHT-MOPGFXCFSA-N 2 1 334.460 1.802 20 0 EDADMP CC1(C)[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)[C@@H]2CCCO[C@H]21 ZINC000371514902 446907536 /nfs/dbraw/zinc/90/75/36/446907536.db2.gz QTJZNRCJROAREC-XMTFNYHQSA-N 2 1 337.508 1.186 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]2COC[C@H]21)c1ccccc1 ZINC000368529215 446922723 /nfs/dbraw/zinc/92/27/23/446922723.db2.gz ZEOBHFMUOVMHGJ-OKZBNKHCSA-N 2 1 331.460 1.516 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]2COC[C@H]21)c1ccccc1 ZINC000368529215 446922730 /nfs/dbraw/zinc/92/27/30/446922730.db2.gz ZEOBHFMUOVMHGJ-OKZBNKHCSA-N 2 1 331.460 1.516 20 0 EDADMP COc1ncc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(C)n1 ZINC000377105710 446923290 /nfs/dbraw/zinc/92/32/90/446923290.db2.gz OABGNBQOKWOZJT-UHFFFAOYSA-N 2 1 347.507 1.784 20 0 EDADMP CCNC(=O)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000420959930 446929449 /nfs/dbraw/zinc/92/94/49/446929449.db2.gz FVWHANKFFGXPJT-SFHVURJKSA-N 2 1 333.476 1.769 20 0 EDADMP c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000420956999 446928140 /nfs/dbraw/zinc/92/81/40/446928140.db2.gz CBFKCKPJZQZMJK-IBGZPJMESA-N 2 1 341.459 1.775 20 0 EDADMP c1cn(C[C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000420956999 446928150 /nfs/dbraw/zinc/92/81/50/446928150.db2.gz CBFKCKPJZQZMJK-IBGZPJMESA-N 2 1 341.459 1.775 20 0 EDADMP O=C1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2(CCC2)N1 ZINC000420966174 446935639 /nfs/dbraw/zinc/93/56/39/446935639.db2.gz QNNURSQLKOLUDS-GOSISDBHSA-N 2 1 343.471 1.810 20 0 EDADMP C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420963772 446934880 /nfs/dbraw/zinc/93/48/80/446934880.db2.gz MRNLMOVSGOIZGW-QFBILLFUSA-N 2 1 334.460 1.491 20 0 EDADMP C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420963772 446934885 /nfs/dbraw/zinc/93/48/85/446934885.db2.gz MRNLMOVSGOIZGW-QFBILLFUSA-N 2 1 334.460 1.491 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H]3CCN(C(C)C)C3=O)CC2)CC1 ZINC000420973048 446942903 /nfs/dbraw/zinc/94/29/03/446942903.db2.gz BWOZLTBGWQVOMV-SFHVURJKSA-N 2 1 336.524 1.488 20 0 EDADMP CCCCOC[C@H](O)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420974415 446945956 /nfs/dbraw/zinc/94/59/56/446945956.db2.gz DPBZXFJBQIEFTP-LJQANCHMSA-N 2 1 341.540 1.656 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000442762855 446956332 /nfs/dbraw/zinc/95/63/32/446956332.db2.gz FVUXDPYCORDUNF-LSDHHAIUSA-N 2 1 334.439 1.143 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000442762855 446956339 /nfs/dbraw/zinc/95/63/39/446956339.db2.gz FVUXDPYCORDUNF-LSDHHAIUSA-N 2 1 334.439 1.143 20 0 EDADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)CC(C)(C)[NH3+])CC1 ZINC000372108585 447006712 /nfs/dbraw/zinc/00/67/12/447006712.db2.gz RWHKTTFGQKIAKL-UHFFFAOYSA-N 2 1 332.448 1.530 20 0 EDADMP CO[C@@]1(C)CCC[N@@H+](Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000375683140 446973020 /nfs/dbraw/zinc/97/30/20/446973020.db2.gz OEFRZHCWZATMIF-SFHVURJKSA-N 2 1 333.480 1.619 20 0 EDADMP CO[C@@]1(C)CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000375683140 446973024 /nfs/dbraw/zinc/97/30/24/446973024.db2.gz OEFRZHCWZATMIF-SFHVURJKSA-N 2 1 333.480 1.619 20 0 EDADMP COC1(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)CC[NH2+]CC1 ZINC000372099680 447000863 /nfs/dbraw/zinc/00/08/63/447000863.db2.gz XOQWTFXUGCPAOF-ZFWWWQNUSA-N 2 1 337.489 1.626 20 0 EDADMP CC(C)n1cc(CN2CC[N@@H+](C[C@H]3CN(C)CCO3)C[C@H]2C)cn1 ZINC000372417726 447055277 /nfs/dbraw/zinc/05/52/77/447055277.db2.gz XJCKXTBSLSYJAY-SJLPKXTDSA-N 2 1 335.496 1.301 20 0 EDADMP CC(C)n1cc(CN2CCN(C[C@H]3CN(C)CCO3)C[C@H]2C)cn1 ZINC000372417726 447055283 /nfs/dbraw/zinc/05/52/83/447055283.db2.gz XJCKXTBSLSYJAY-SJLPKXTDSA-N 2 1 335.496 1.301 20 0 EDADMP Cc1nccn1CC[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375813340 447072220 /nfs/dbraw/zinc/07/22/20/447072220.db2.gz ZIFGMKCGZJVMPZ-HOTGVXAUSA-N 2 1 336.436 1.561 20 0 EDADMP COc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375802675 447063278 /nfs/dbraw/zinc/06/32/78/447063278.db2.gz VQCDYMUFKJFVSS-KURKYZTESA-N 2 1 331.460 1.887 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000413227271 447079549 /nfs/dbraw/zinc/07/95/49/447079549.db2.gz AOJJVYBWPZWFLZ-QGZVFWFLSA-N 2 1 348.491 1.563 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)COC(C)(C)C)C2)CC1 ZINC000375906466 447137425 /nfs/dbraw/zinc/13/74/25/447137425.db2.gz PGTPXAZJPGFTHA-SJORKVTESA-N 2 1 327.513 1.263 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C(N)=O)c3)C2)CC1 ZINC000375908234 447139979 /nfs/dbraw/zinc/13/99/79/447139979.db2.gz VYIPDUOCGKFJDD-GOSISDBHSA-N 2 1 330.476 1.386 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000419414084 447159778 /nfs/dbraw/zinc/15/97/78/447159778.db2.gz SPLQVUMNJJULQE-GJZGRUSLSA-N 2 1 338.496 1.001 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000413451808 447189956 /nfs/dbraw/zinc/18/99/56/447189956.db2.gz MUVDCVZKGUXMGJ-SZMVWBNQSA-N 2 1 330.476 1.900 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000413451808 447189962 /nfs/dbraw/zinc/18/99/62/447189962.db2.gz MUVDCVZKGUXMGJ-SZMVWBNQSA-N 2 1 330.476 1.900 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000413451808 447189967 /nfs/dbraw/zinc/18/99/67/447189967.db2.gz MUVDCVZKGUXMGJ-SZMVWBNQSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419486330 447216086 /nfs/dbraw/zinc/21/60/86/447216086.db2.gz XFNRWQLPLKGPQM-JKSUJKDBSA-N 2 1 338.496 1.016 20 0 EDADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000446055399 447220402 /nfs/dbraw/zinc/22/04/02/447220402.db2.gz RINVUKPTYFDZSE-OAHLLOKOSA-N 2 1 344.459 1.082 20 0 EDADMP C[C@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@@H+]1CCO ZINC000455872752 447245184 /nfs/dbraw/zinc/24/51/84/447245184.db2.gz ZAXJOHYBGJXKEC-KSSFIOAISA-N 2 1 346.475 1.766 20 0 EDADMP C[C@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@H+]1CCO ZINC000455872752 447245185 /nfs/dbraw/zinc/24/51/85/447245185.db2.gz ZAXJOHYBGJXKEC-KSSFIOAISA-N 2 1 346.475 1.766 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)nc2C)C[C@H]1C ZINC000447233402 447269455 /nfs/dbraw/zinc/26/94/55/447269455.db2.gz ZJLIXEHHOZFXOU-HIFRSBDPSA-N 2 1 332.448 1.968 20 0 EDADMP CC[NH+](CC)CC1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000458848705 447490338 /nfs/dbraw/zinc/49/03/38/447490338.db2.gz RYHZKFSOFROFOF-UHFFFAOYSA-N 2 1 340.512 1.472 20 0 EDADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000450561117 447526754 /nfs/dbraw/zinc/52/67/54/447526754.db2.gz GSQYHPAETUOHMF-KRWDZBQOSA-N 2 1 349.475 1.164 20 0 EDADMP C[C@@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC[NH2+]1 ZINC000390862174 447504549 /nfs/dbraw/zinc/50/45/49/447504549.db2.gz IFHPVLWADMCTOH-MJGOQNOKSA-N 2 1 331.460 1.536 20 0 EDADMP CC(C)[NH2+]CCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390861251 447504846 /nfs/dbraw/zinc/50/48/46/447504846.db2.gz MBUXUTTUMWBWOO-SFHVURJKSA-N 2 1 333.476 1.782 20 0 EDADMP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390869675 447505017 /nfs/dbraw/zinc/50/50/17/447505017.db2.gz FSJSTOBCHSNUCV-IEBWSBKVSA-N 2 1 345.487 1.783 20 0 EDADMP CCC[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC[N@H+]1CCOC ZINC000426942342 447519446 /nfs/dbraw/zinc/51/94/46/447519446.db2.gz KFUQYLQOIDVDPE-SFHVURJKSA-N 2 1 337.508 1.820 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)NCC([NH3+])(CC)CC)C1 ZINC000420077068 447587152 /nfs/dbraw/zinc/58/71/52/447587152.db2.gz BKJFMYLJUJBVBH-AWEZNQCLSA-N 2 1 349.479 1.243 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000415982818 447529276 /nfs/dbraw/zinc/52/92/76/447529276.db2.gz LTJCEOCSCDSGKM-UHFFFAOYSA-N 2 1 347.507 1.944 20 0 EDADMP C[C@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)CN1CC[NH+](C)CC1 ZINC000457558231 447597438 /nfs/dbraw/zinc/59/74/38/447597438.db2.gz PYPRZBBREBTGHF-MRXNPFEDSA-N 2 1 336.524 1.251 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496065937 447703968 /nfs/dbraw/zinc/70/39/68/447703968.db2.gz MJOGAJVKWBQVRC-CYBMUJFWSA-N 2 1 327.473 1.355 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000420184829 447659224 /nfs/dbraw/zinc/65/92/24/447659224.db2.gz JZQOWGJVHWFXQP-AESZEHBQSA-N 2 1 333.480 2.266 20 0 EDADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495968327 447682203 /nfs/dbraw/zinc/68/22/03/447682203.db2.gz HZBCHMPEQTZUJK-VKJFTORMSA-N 2 1 341.496 1.821 20 0 EDADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495968327 447682206 /nfs/dbraw/zinc/68/22/06/447682206.db2.gz HZBCHMPEQTZUJK-VKJFTORMSA-N 2 1 341.496 1.821 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000457954850 447684477 /nfs/dbraw/zinc/68/44/77/447684477.db2.gz XWPDCQDJYLBHSX-YESZJQIVSA-N 2 1 340.512 1.205 20 0 EDADMP c1ccc(CN2CCN(CCC[NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000422831950 447763469 /nfs/dbraw/zinc/76/34/69/447763469.db2.gz KJVMYPGARLZCEI-FQEVSTJZSA-N 2 1 330.520 1.926 20 0 EDADMP CCCN(C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000416935283 447714329 /nfs/dbraw/zinc/71/43/29/447714329.db2.gz GCGDAOZVYPDCCZ-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000416948673 447722825 /nfs/dbraw/zinc/72/28/25/447722825.db2.gz PTNRXMXMYGTCCF-WCVJEAGWSA-N 2 1 326.485 1.255 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000416948123 447722852 /nfs/dbraw/zinc/72/28/52/447722852.db2.gz YTTNCCUYJJYWPG-DOTOQJQBSA-N 2 1 326.485 1.114 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)[nH+]c1 ZINC000417073650 447734039 /nfs/dbraw/zinc/73/40/39/447734039.db2.gz YITIYUMHWAUONZ-INIZCTEOSA-N 2 1 333.480 2.399 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NCC(C)(C)[NH3+])c2)CCO1 ZINC000417272547 447740976 /nfs/dbraw/zinc/74/09/76/447740976.db2.gz URMLAZBKBXPEDD-CQSZACIVSA-N 2 1 334.464 1.444 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NCC(C)(C)[NH3+])c2)CCO1 ZINC000417272547 447740980 /nfs/dbraw/zinc/74/09/80/447740980.db2.gz URMLAZBKBXPEDD-CQSZACIVSA-N 2 1 334.464 1.444 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000496382857 447762063 /nfs/dbraw/zinc/76/20/63/447762063.db2.gz VQMJHMYZPBQYCP-UONOGXRCSA-N 2 1 329.485 1.989 20 0 EDADMP CN(C[C@](C)(O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496535932 447811787 /nfs/dbraw/zinc/81/17/87/447811787.db2.gz UEODFDANHAKHJT-ROUUACIJSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@](C)(O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496535932 447811790 /nfs/dbraw/zinc/81/17/90/447811790.db2.gz UEODFDANHAKHJT-ROUUACIJSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@](C)(O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496535932 447811792 /nfs/dbraw/zinc/81/17/92/447811792.db2.gz UEODFDANHAKHJT-ROUUACIJSA-N 2 1 341.496 1.632 20 0 EDADMP CNC(=O)NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471834701 447815047 /nfs/dbraw/zinc/81/50/47/447815047.db2.gz SVJNAAKUEIYERU-SJORKVTESA-N 2 1 346.475 1.504 20 0 EDADMP C[NH+](C)CCOc1cccc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422897159 447771631 /nfs/dbraw/zinc/77/16/31/447771631.db2.gz JFNBAENDGCEGHG-SLFFLAALSA-N 2 1 347.503 1.874 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430565411 447780980 /nfs/dbraw/zinc/78/09/80/447780980.db2.gz FVTAONZOWQQMET-HOTGVXAUSA-N 2 1 348.466 1.534 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430565411 447780983 /nfs/dbraw/zinc/78/09/83/447780983.db2.gz FVTAONZOWQQMET-HOTGVXAUSA-N 2 1 348.466 1.534 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000430803412 447787319 /nfs/dbraw/zinc/78/73/19/447787319.db2.gz UAGPZFVNCRWJEL-LPHOPBHVSA-N 2 1 327.472 1.891 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000451932395 447789334 /nfs/dbraw/zinc/78/93/34/447789334.db2.gz SVLNNZXADGDINK-MQVJKMGUSA-N 2 1 337.489 1.652 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000487616838 447834889 /nfs/dbraw/zinc/83/48/89/447834889.db2.gz IIPFFQSLYHDLBW-IAGOWNOFSA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)C1 ZINC000487616838 447834890 /nfs/dbraw/zinc/83/48/90/447834890.db2.gz IIPFFQSLYHDLBW-IAGOWNOFSA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)C1 ZINC000487616838 447834891 /nfs/dbraw/zinc/83/48/91/447834891.db2.gz IIPFFQSLYHDLBW-IAGOWNOFSA-N 2 1 340.512 1.325 20 0 EDADMP C[C@@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1=CC[N@@H+](C)CC1 ZINC000496661376 447843281 /nfs/dbraw/zinc/84/32/81/447843281.db2.gz LVHPMAPGUZYHMM-DYVFJYSZSA-N 2 1 327.469 1.502 20 0 EDADMP CN(C[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000496704576 447852282 /nfs/dbraw/zinc/85/22/82/447852282.db2.gz YTXQLEVNFRSMPK-HOTGVXAUSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000496704576 447852284 /nfs/dbraw/zinc/85/22/84/447852284.db2.gz YTXQLEVNFRSMPK-HOTGVXAUSA-N 2 1 341.496 1.632 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000489326854 447854728 /nfs/dbraw/zinc/85/47/28/447854728.db2.gz KPOLEOCXRHTBML-IAGOWNOFSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)(C)OC(=O)NC1CC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000496578978 447825237 /nfs/dbraw/zinc/82/52/37/447825237.db2.gz XKZXIHURILTUOM-UYSNPLJNSA-N 2 1 341.496 1.869 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000487281323 447828730 /nfs/dbraw/zinc/82/87/30/447828730.db2.gz SEMHBBHPRGSOEY-CYGHRXIMSA-N 2 1 347.507 1.459 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000487281323 447828731 /nfs/dbraw/zinc/82/87/31/447828731.db2.gz SEMHBBHPRGSOEY-CYGHRXIMSA-N 2 1 347.507 1.459 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000487281323 447828732 /nfs/dbraw/zinc/82/87/32/447828732.db2.gz SEMHBBHPRGSOEY-CYGHRXIMSA-N 2 1 347.507 1.459 20 0 EDADMP C[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000569707725 447872961 /nfs/dbraw/zinc/87/29/61/447872961.db2.gz KIMQPSUBHCGPAU-BBRMVZONSA-N 2 1 332.448 1.399 20 0 EDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000575741000 447886274 /nfs/dbraw/zinc/88/62/74/447886274.db2.gz QGJNFFDJIKOCNG-INIZCTEOSA-N 2 1 348.495 1.539 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CC[NH+](C)C1 ZINC000523649096 447895730 /nfs/dbraw/zinc/89/57/30/447895730.db2.gz OPSCXDGAOBAKRS-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000523649096 447895732 /nfs/dbraw/zinc/89/57/32/447895732.db2.gz OPSCXDGAOBAKRS-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000523649096 447895736 /nfs/dbraw/zinc/89/57/36/447895736.db2.gz OPSCXDGAOBAKRS-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CC(C)[NH+](CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000530813977 447962184 /nfs/dbraw/zinc/96/21/84/447962184.db2.gz ZZYOKFWRJNEEBO-FQEVSTJZSA-N 2 1 347.503 1.858 20 0 EDADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000524639912 447937507 /nfs/dbraw/zinc/93/75/07/447937507.db2.gz YYBCVQKXLZCFGP-WMZOPIPTSA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000524639912 447937513 /nfs/dbraw/zinc/93/75/13/447937513.db2.gz YYBCVQKXLZCFGP-WMZOPIPTSA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000524639912 447937516 /nfs/dbraw/zinc/93/75/16/447937516.db2.gz YYBCVQKXLZCFGP-WMZOPIPTSA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000524639912 447937518 /nfs/dbraw/zinc/93/75/18/447937518.db2.gz YYBCVQKXLZCFGP-WMZOPIPTSA-N 2 1 333.476 1.732 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000576106949 447975241 /nfs/dbraw/zinc/97/52/41/447975241.db2.gz YFNOHGBHWKLKMI-RCCFBDPRSA-N 2 1 337.508 1.996 20 0 EDADMP C[C@H]1[NH2+]CC[C@H]1C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000570280582 447977289 /nfs/dbraw/zinc/97/72/89/447977289.db2.gz DBVKAPLJOMQVGR-SJLPKXTDSA-N 2 1 346.475 1.131 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000525294349 447990160 /nfs/dbraw/zinc/99/01/60/447990160.db2.gz NRYLVPATYKYEMW-BZUAXINKSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000525294349 447990165 /nfs/dbraw/zinc/99/01/65/447990165.db2.gz NRYLVPATYKYEMW-BZUAXINKSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000525294349 447990171 /nfs/dbraw/zinc/99/01/71/447990171.db2.gz NRYLVPATYKYEMW-BZUAXINKSA-N 2 1 326.485 1.125 20 0 EDADMP O=C(C[N@@H+]1CCC[C@@H]1c1ccccn1)NC1CC[NH+](C2CC2)CC1 ZINC000530962891 447992237 /nfs/dbraw/zinc/99/22/37/447992237.db2.gz OLCLIYWJSCKMHK-GOSISDBHSA-N 2 1 328.460 1.962 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]1c1ccccn1)NC1CC[NH+](C2CC2)CC1 ZINC000530962891 447992239 /nfs/dbraw/zinc/99/22/39/447992239.db2.gz OLCLIYWJSCKMHK-GOSISDBHSA-N 2 1 328.460 1.962 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3nccn3C)CC2)CC1 ZINC000553429155 447993678 /nfs/dbraw/zinc/99/36/78/447993678.db2.gz RGWWUQTXRMXMPG-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000576211662 447999451 /nfs/dbraw/zinc/99/94/51/447999451.db2.gz UGEONEBNXUUMEB-KBAYOESNSA-N 2 1 345.491 1.025 20 0 EDADMP C[C@@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000531046758 448007612 /nfs/dbraw/zinc/00/76/12/448007612.db2.gz ZNYVRTRFDQZKSH-PXNSSMCTSA-N 2 1 345.487 1.472 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531049467 448007685 /nfs/dbraw/zinc/00/76/85/448007685.db2.gz FUVQHNJAMWKIKN-LJQANCHMSA-N 2 1 333.476 1.470 20 0 EDADMP CC(C)[NH+](C)CCCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531049467 448007688 /nfs/dbraw/zinc/00/76/88/448007688.db2.gz FUVQHNJAMWKIKN-LJQANCHMSA-N 2 1 333.476 1.470 20 0 EDADMP CC(C)[NH+](C)CCCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531049467 448007693 /nfs/dbraw/zinc/00/76/93/448007693.db2.gz FUVQHNJAMWKIKN-LJQANCHMSA-N 2 1 333.476 1.470 20 0 EDADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000570632380 448039905 /nfs/dbraw/zinc/03/99/05/448039905.db2.gz MEBUPBOMAKRVRM-QZTJIDSGSA-N 2 1 336.476 1.480 20 0 EDADMP C[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570733433 448057328 /nfs/dbraw/zinc/05/73/28/448057328.db2.gz NUJXAOLARLJJIH-UKRRQHHQSA-N 2 1 325.403 1.997 20 0 EDADMP C[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570733433 448057330 /nfs/dbraw/zinc/05/73/30/448057330.db2.gz NUJXAOLARLJJIH-UKRRQHHQSA-N 2 1 325.403 1.997 20 0 EDADMP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc(C)c1OC(F)F ZINC000570866176 448077328 /nfs/dbraw/zinc/07/73/28/448077328.db2.gz KKEJFPUKYQZKQM-KGLIPLIRSA-N 2 1 339.386 1.649 20 0 EDADMP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc(C)c1OC(F)F ZINC000570866176 448077336 /nfs/dbraw/zinc/07/73/36/448077336.db2.gz KKEJFPUKYQZKQM-KGLIPLIRSA-N 2 1 339.386 1.649 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981558 448089647 /nfs/dbraw/zinc/08/96/47/448089647.db2.gz QWXYVGRHILIBFP-QWHCGFSZSA-N 2 1 348.413 1.931 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cnc2c(cnn2C)c1 ZINC000531337190 448064080 /nfs/dbraw/zinc/06/40/80/448064080.db2.gz VDUFDGBLPVJVMR-UHFFFAOYSA-N 2 1 344.463 1.066 20 0 EDADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497028036 448137625 /nfs/dbraw/zinc/13/76/25/448137625.db2.gz LPOAOIDSHHIAFP-ZNMIVQPWSA-N 2 1 329.485 1.677 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000531809341 448150675 /nfs/dbraw/zinc/15/06/75/448150675.db2.gz HSCFWAYXRNYBAF-DJIMGWMZSA-N 2 1 338.496 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000531809341 448150678 /nfs/dbraw/zinc/15/06/78/448150678.db2.gz HSCFWAYXRNYBAF-DJIMGWMZSA-N 2 1 338.496 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000531809341 448150683 /nfs/dbraw/zinc/15/06/83/448150683.db2.gz HSCFWAYXRNYBAF-DJIMGWMZSA-N 2 1 338.496 1.125 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1)CC2 ZINC000571767862 448203366 /nfs/dbraw/zinc/20/33/66/448203366.db2.gz QQNKGKKSLODEHF-DZGCQCFKSA-N 2 1 334.464 1.058 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1)CC2 ZINC000571767862 448203369 /nfs/dbraw/zinc/20/33/69/448203369.db2.gz QQNKGKKSLODEHF-DZGCQCFKSA-N 2 1 334.464 1.058 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CC[C@@H](O)C3)c2)C1 ZINC000571535715 448168861 /nfs/dbraw/zinc/16/88/61/448168861.db2.gz TZYFVQCUULRBTO-QGZVFWFLSA-N 2 1 331.460 1.924 20 0 EDADMP CC1(C)CC[NH+](CC(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)C1 ZINC000571535715 448168866 /nfs/dbraw/zinc/16/88/66/448168866.db2.gz TZYFVQCUULRBTO-QGZVFWFLSA-N 2 1 331.460 1.924 20 0 EDADMP CC1(C)CC[NH+](CC(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)C1 ZINC000571535715 448168871 /nfs/dbraw/zinc/16/88/71/448168871.db2.gz TZYFVQCUULRBTO-QGZVFWFLSA-N 2 1 331.460 1.924 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000572033562 448268969 /nfs/dbraw/zinc/26/89/69/448268969.db2.gz PUTOIKMXOINROA-NXNVCVFFSA-N 2 1 334.464 1.047 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+]1CCCC1 ZINC000591095045 448259455 /nfs/dbraw/zinc/25/94/55/448259455.db2.gz ULLKMCOTDFCZLI-RDJZCZTQSA-N 2 1 331.460 1.900 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000591100801 448262593 /nfs/dbraw/zinc/26/25/93/448262593.db2.gz WEFSKAMCVSMPQZ-GJZGRUSLSA-N 2 1 348.466 1.706 20 0 EDADMP Cc1ccc(NC(=O)CC[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)nc1 ZINC000577484082 448308210 /nfs/dbraw/zinc/30/82/10/448308210.db2.gz MJFBVZRIIHMVHY-INIZCTEOSA-N 2 1 334.464 1.809 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000582710279 448316308 /nfs/dbraw/zinc/31/63/08/448316308.db2.gz OAKKGOOTGQVMOQ-UHFFFAOYSA-N 2 1 344.463 1.827 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@H+]1CCCC1(C)C ZINC000582710279 448316319 /nfs/dbraw/zinc/31/63/19/448316319.db2.gz OAKKGOOTGQVMOQ-UHFFFAOYSA-N 2 1 344.463 1.827 20 0 EDADMP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000582721192 448320310 /nfs/dbraw/zinc/32/03/10/448320310.db2.gz WTEAPIIKCJMXNL-FBVQUNGASA-N 2 1 332.444 1.844 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000577454124 448297780 /nfs/dbraw/zinc/29/77/80/448297780.db2.gz RNPVZHWGXBPMNV-INIZCTEOSA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000577664358 448354353 /nfs/dbraw/zinc/35/43/53/448354353.db2.gz OEJLEBRTHUPIJD-UHFFFAOYSA-N 2 1 336.480 1.579 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C)C[NH+]1CCOCC1 ZINC000582895023 448370461 /nfs/dbraw/zinc/37/04/61/448370461.db2.gz YSDIKAHGZJXXBJ-HUUCEWRRSA-N 2 1 326.485 1.032 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC(CC[NH3+])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572537833 448403955 /nfs/dbraw/zinc/40/39/55/448403955.db2.gz WDQAJVPYHBZWJV-HLLBOEOZSA-N 2 1 325.497 1.708 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC(CC[NH3+])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572537833 448403959 /nfs/dbraw/zinc/40/39/59/448403959.db2.gz WDQAJVPYHBZWJV-HLLBOEOZSA-N 2 1 325.497 1.708 20 0 EDADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000583023583 448406464 /nfs/dbraw/zinc/40/64/64/448406464.db2.gz YLTJLWWQAWJUBA-VPEURPPWSA-N 2 1 337.512 1.065 20 0 EDADMP CC(C)[N@H+](CCN1CC[NH2+]CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000577871628 448409625 /nfs/dbraw/zinc/40/96/25/448409625.db2.gz TZJUKVCFQDDPPG-UHFFFAOYSA-N 2 1 329.448 1.451 20 0 EDADMP CC(C)[N@@H+](CCN1CC[NH2+]CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000577871628 448409631 /nfs/dbraw/zinc/40/96/31/448409631.db2.gz TZJUKVCFQDDPPG-UHFFFAOYSA-N 2 1 329.448 1.451 20 0 EDADMP CCC[C@H]1CN(CCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000583084285 448420481 /nfs/dbraw/zinc/42/04/81/448420481.db2.gz JZVYHZQGVLZHBF-FQEVSTJZSA-N 2 1 330.520 1.878 20 0 EDADMP CCC[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000583084285 448420487 /nfs/dbraw/zinc/42/04/87/448420487.db2.gz JZVYHZQGVLZHBF-FQEVSTJZSA-N 2 1 330.520 1.878 20 0 EDADMP CCC[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000583084285 448420491 /nfs/dbraw/zinc/42/04/91/448420491.db2.gz JZVYHZQGVLZHBF-FQEVSTJZSA-N 2 1 330.520 1.878 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000578081115 448457541 /nfs/dbraw/zinc/45/75/41/448457541.db2.gz LXOLJYZDMJTJBN-INIZCTEOSA-N 2 1 335.496 1.829 20 0 EDADMP CC[C@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000516653500 448458529 /nfs/dbraw/zinc/45/85/29/448458529.db2.gz GEOFWGQJSFGHDY-RMJJICAUSA-N 2 1 343.471 1.534 20 0 EDADMP CC[C@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000516653500 448458535 /nfs/dbraw/zinc/45/85/35/448458535.db2.gz GEOFWGQJSFGHDY-RMJJICAUSA-N 2 1 343.471 1.534 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528429412 448525249 /nfs/dbraw/zinc/52/52/49/448525249.db2.gz AGAPBSQFVWRVOF-GOSISDBHSA-N 2 1 336.524 1.489 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)nn3C)CC2)CC1 ZINC000578347939 448525493 /nfs/dbraw/zinc/52/54/93/448525493.db2.gz VZRXLJXZVRTPHU-UHFFFAOYSA-N 2 1 333.480 1.863 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCCOc3cccc4ccccc43)CCN2C1=O ZINC000517247296 448563548 /nfs/dbraw/zinc/56/35/48/448563548.db2.gz JOMYQVKMFUSJQY-WMZOPIPTSA-N 2 1 339.439 1.853 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCCOc3cccc4ccccc43)CCN2C1=O ZINC000517247296 448563552 /nfs/dbraw/zinc/56/35/52/448563552.db2.gz JOMYQVKMFUSJQY-WMZOPIPTSA-N 2 1 339.439 1.853 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000573215399 448571441 /nfs/dbraw/zinc/57/14/41/448571441.db2.gz KAXIAJMBCKSICO-SFHVURJKSA-N 2 1 344.503 1.403 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000573215399 448571444 /nfs/dbraw/zinc/57/14/44/448571444.db2.gz KAXIAJMBCKSICO-SFHVURJKSA-N 2 1 344.503 1.403 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000573215399 448571447 /nfs/dbraw/zinc/57/14/47/448571447.db2.gz KAXIAJMBCKSICO-SFHVURJKSA-N 2 1 344.503 1.403 20 0 EDADMP c1ccc(C[N@@H+]2CCC[C@H]3CN(CCN4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000584470479 448538790 /nfs/dbraw/zinc/53/87/90/448538790.db2.gz BZZJUAAOJAAIHH-SFTDATJTSA-N 2 1 342.531 1.878 20 0 EDADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCN4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000584470479 448538796 /nfs/dbraw/zinc/53/87/96/448538796.db2.gz BZZJUAAOJAAIHH-SFTDATJTSA-N 3 1 342.531 1.878 20 0 EDADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCN4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000584470479 448538800 /nfs/dbraw/zinc/53/88/00/448538800.db2.gz BZZJUAAOJAAIHH-SFTDATJTSA-N 3 1 342.531 1.878 20 0 EDADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCN4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000584470479 448538806 /nfs/dbraw/zinc/53/88/06/448538806.db2.gz BZZJUAAOJAAIHH-SFTDATJTSA-N 3 1 342.531 1.878 20 0 EDADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCN4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000584470479 448538811 /nfs/dbraw/zinc/53/88/11/448538811.db2.gz BZZJUAAOJAAIHH-SFTDATJTSA-N 3 1 342.531 1.878 20 0 EDADMP CCN(CC)C(=O)CN1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000566919269 448586470 /nfs/dbraw/zinc/58/64/70/448586470.db2.gz PLKFUHMDNXKULT-UHFFFAOYSA-N 2 1 344.503 1.318 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)C1=O ZINC000584816626 448639876 /nfs/dbraw/zinc/63/98/76/448639876.db2.gz WZKCQODJLZLCPO-ROUUACIJSA-N 2 1 343.471 1.945 20 0 EDADMP CCC[NH+](C)CC(=O)N1[C@H](C)CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC000567321041 448662632 /nfs/dbraw/zinc/66/26/32/448662632.db2.gz RFXIYWJGRQIJDL-IYBDPMFKSA-N 2 1 340.512 1.118 20 0 EDADMP CCC[NH+](C)CC(=O)N1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC000567321041 448662638 /nfs/dbraw/zinc/66/26/38/448662638.db2.gz RFXIYWJGRQIJDL-IYBDPMFKSA-N 2 1 340.512 1.118 20 0 EDADMP CCC[NH+](C)CC(=O)N1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC000567321041 448662643 /nfs/dbraw/zinc/66/26/43/448662643.db2.gz RFXIYWJGRQIJDL-IYBDPMFKSA-N 2 1 340.512 1.118 20 0 EDADMP C[C@]1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[N@H+]1Cc1ccccc1 ZINC000573583865 448665579 /nfs/dbraw/zinc/66/55/79/448665579.db2.gz PYNMDMMVQVEFJA-VUHPKUFZSA-N 2 1 328.460 1.558 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000579099752 448714034 /nfs/dbraw/zinc/71/40/34/448714034.db2.gz IVDATRINRKDYAG-RDJZCZTQSA-N 2 1 344.459 1.578 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000567571524 448715652 /nfs/dbraw/zinc/71/56/52/448715652.db2.gz LPYZUNMUMCIGJG-KDOFPFPSSA-N 2 1 328.460 1.657 20 0 EDADMP CO[C@@H](C[NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000567754381 448752605 /nfs/dbraw/zinc/75/26/05/448752605.db2.gz SENWWKDQALPQKX-CABCVRRESA-N 2 1 325.840 1.567 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568058051 448809070 /nfs/dbraw/zinc/80/90/70/448809070.db2.gz RPKFUBXDQQMIAX-JQHSSLGASA-N 2 1 346.475 1.409 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568058051 448809073 /nfs/dbraw/zinc/80/90/73/448809073.db2.gz RPKFUBXDQQMIAX-JQHSSLGASA-N 2 1 346.475 1.409 20 0 EDADMP C[NH+](C)CCOCCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000579371747 448780608 /nfs/dbraw/zinc/78/06/08/448780608.db2.gz WOQLRDVECZBQBV-HNNXBMFYSA-N 2 1 327.856 1.637 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529319733 448821021 /nfs/dbraw/zinc/82/10/21/448821021.db2.gz CLZCDLCYGSGBMQ-RDJZCZTQSA-N 2 1 346.475 1.314 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529363460 448841136 /nfs/dbraw/zinc/84/11/36/448841136.db2.gz FLTGTFPTFDXWEN-IAGOWNOFSA-N 2 1 349.523 1.083 20 0 EDADMP C[C@@H](c1ccc(NC[C@@H](O)C[N@H+](C)C2CC2)cc1)[NH+]1CCOCC1 ZINC000579702642 448856746 /nfs/dbraw/zinc/85/67/46/448856746.db2.gz ZYNMUFHXLATOFM-HNAYVOBHSA-N 2 1 333.476 1.947 20 0 EDADMP C[C@@H](c1ccc(NC[C@@H](O)C[N@@H+](C)C2CC2)cc1)[NH+]1CCOCC1 ZINC000579702642 448856749 /nfs/dbraw/zinc/85/67/49/448856749.db2.gz ZYNMUFHXLATOFM-HNAYVOBHSA-N 2 1 333.476 1.947 20 0 EDADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000529390390 448854299 /nfs/dbraw/zinc/85/42/99/448854299.db2.gz YOOHCHJXMJDOCC-GUDVDZBRSA-N 2 1 347.503 1.573 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NC(=O)NC1CCCC1 ZINC000592492561 448862510 /nfs/dbraw/zinc/86/25/10/448862510.db2.gz AKSDZVNKPJZYHZ-HUUCEWRRSA-N 2 1 336.480 1.466 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000521216491 448962628 /nfs/dbraw/zinc/96/26/28/448962628.db2.gz QKRDVSRLYALPHG-LAQRGFTBSA-N 2 1 346.475 1.407 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000521216491 448962631 /nfs/dbraw/zinc/96/26/31/448962631.db2.gz QKRDVSRLYALPHG-LAQRGFTBSA-N 2 1 346.475 1.407 20 0 EDADMP Cc1cc(S(=O)(=O)NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)s1 ZINC000521225873 448964991 /nfs/dbraw/zinc/96/49/91/448964991.db2.gz DOMOJEDOCXUSPQ-PBWFPOADSA-N 2 1 343.518 1.516 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000574735770 448943274 /nfs/dbraw/zinc/94/32/74/448943274.db2.gz FAPSVYVZTSMMJA-MRXNPFEDSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000569341218 449005538 /nfs/dbraw/zinc/00/55/38/449005538.db2.gz JUYKDZCHZIZCIL-GJZGRUSLSA-N 2 1 328.460 1.886 20 0 EDADMP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000569341218 449005543 /nfs/dbraw/zinc/00/55/43/449005543.db2.gz JUYKDZCHZIZCIL-GJZGRUSLSA-N 2 1 328.460 1.886 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592961331 449085330 /nfs/dbraw/zinc/08/53/30/449085330.db2.gz LBGXDQHFTXCZMU-ZNMIVQPWSA-N 2 1 331.464 1.418 20 0 EDADMP COc1ccc(CN2CC[C@H]2C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000530241289 449091906 /nfs/dbraw/zinc/09/19/06/449091906.db2.gz PPOFLBZRBJSEEI-ROUUACIJSA-N 2 1 333.476 1.316 20 0 EDADMP COC(=O)[C@@]1(NC[C@H]2CCC[NH+]2C)CCC[N@H+](Cc2ccccc2)C1 ZINC000593018699 449104976 /nfs/dbraw/zinc/10/49/76/449104976.db2.gz AXGJIHSYADMWSI-UYAOXDASSA-N 2 1 345.487 1.878 20 0 EDADMP COC(=O)[C@@]1(NC[C@H]2CCC[NH+]2C)CCC[N@@H+](Cc2ccccc2)C1 ZINC000593018699 449104978 /nfs/dbraw/zinc/10/49/78/449104978.db2.gz AXGJIHSYADMWSI-UYAOXDASSA-N 2 1 345.487 1.878 20 0 EDADMP COC(=O)[C@@]1(NC[C@H]2CCC[N@@H+]2C)CCC[NH+](Cc2ccccc2)C1 ZINC000593018699 449104980 /nfs/dbraw/zinc/10/49/80/449104980.db2.gz AXGJIHSYADMWSI-UYAOXDASSA-N 2 1 345.487 1.878 20 0 EDADMP COC(=O)[C@@]1(NC[C@H]2CCC[N@H+]2C)CCC[NH+](Cc2ccccc2)C1 ZINC000593018699 449104983 /nfs/dbraw/zinc/10/49/83/449104983.db2.gz AXGJIHSYADMWSI-UYAOXDASSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NCc2cccs2)[C@H]1CC[NH3+] ZINC000593733906 449169049 /nfs/dbraw/zinc/16/90/49/449169049.db2.gz NYOPKISMULZCMC-OCCSQVGLSA-N 2 1 338.477 1.523 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2cccs2)[C@H]1CC[NH3+] ZINC000593733906 449169053 /nfs/dbraw/zinc/16/90/53/449169053.db2.gz NYOPKISMULZCMC-OCCSQVGLSA-N 2 1 338.477 1.523 20 0 EDADMP CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910501 449247853 /nfs/dbraw/zinc/24/78/53/449247853.db2.gz IRNLHEXBTCLPKG-HOCLYGCPSA-N 2 1 349.479 1.340 20 0 EDADMP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910501 449247864 /nfs/dbraw/zinc/24/78/64/449247864.db2.gz IRNLHEXBTCLPKG-HOCLYGCPSA-N 2 1 349.479 1.340 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000606625556 449491522 /nfs/dbraw/zinc/49/15/22/449491522.db2.gz RPXUXQPEBFLVRN-RDJZCZTQSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnn(C)c1C(F)(F)F ZINC000617504807 449649662 /nfs/dbraw/zinc/64/96/62/449649662.db2.gz LCTQDEBAAPCWMY-NSHDSACASA-N 2 1 349.401 1.441 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnn(C)c1C(F)(F)F ZINC000617504807 449649668 /nfs/dbraw/zinc/64/96/68/449649668.db2.gz LCTQDEBAAPCWMY-NSHDSACASA-N 2 1 349.401 1.441 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC000617502518 449646168 /nfs/dbraw/zinc/64/61/68/449646168.db2.gz RWSWEFTZCYSPGQ-YTQUADARSA-N 2 1 347.503 1.805 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC000617502518 449646174 /nfs/dbraw/zinc/64/61/74/449646174.db2.gz RWSWEFTZCYSPGQ-YTQUADARSA-N 2 1 347.503 1.805 20 0 EDADMP C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000608356994 449817201 /nfs/dbraw/zinc/81/72/01/449817201.db2.gz ZHJZQMBMKVZRRS-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000608356994 449817206 /nfs/dbraw/zinc/81/72/06/449817206.db2.gz ZHJZQMBMKVZRRS-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000608356994 449817210 /nfs/dbraw/zinc/81/72/10/449817210.db2.gz ZHJZQMBMKVZRRS-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000608356994 449817217 /nfs/dbraw/zinc/81/72/17/449817217.db2.gz ZHJZQMBMKVZRRS-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H](CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)[NH+](C)C ZINC000617756194 449819748 /nfs/dbraw/zinc/81/97/48/449819748.db2.gz BQKYTIIDADNTHV-MAUKXSAKSA-N 2 1 333.476 1.641 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+]C[C@H]3CNc4ccnn4C3)C2)nc(C)[nH+]1 ZINC000595143394 449899309 /nfs/dbraw/zinc/89/93/09/449899309.db2.gz CQEMJHBGQPOAGK-HOTGVXAUSA-N 2 1 341.463 1.590 20 0 EDADMP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878097 449886503 /nfs/dbraw/zinc/88/65/03/449886503.db2.gz UTOBRBLVQZGXDD-OAHLLOKOSA-N 2 1 339.480 1.108 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CCCO1 ZINC000608629533 449890347 /nfs/dbraw/zinc/89/03/47/449890347.db2.gz NJHPYXYUKYEBCK-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CC[C@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000612868223 449917754 /nfs/dbraw/zinc/91/77/54/449917754.db2.gz PUFOUQPWOLIPLB-IEBWSBKVSA-N 2 1 330.476 1.875 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612961876 449957159 /nfs/dbraw/zinc/95/71/59/449957159.db2.gz CSBKXTKTVUQIKF-GOSISDBHSA-N 2 1 342.487 1.876 20 0 EDADMP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000612976654 449967615 /nfs/dbraw/zinc/96/76/15/449967615.db2.gz KWQBURBXRFXUAW-CVEARBPZSA-N 2 1 336.480 1.025 20 0 EDADMP C[NH+](C)CC1(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)CCCCC1 ZINC000615270187 450034571 /nfs/dbraw/zinc/03/45/71/450034571.db2.gz PCQPICVYHLXNEW-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613210440 450083127 /nfs/dbraw/zinc/08/31/27/450083127.db2.gz QKBAVIWWNJMGBW-GVXVVHGQSA-N 2 1 331.243 1.884 20 0 EDADMP CC[C@@H](C(=O)OC(C)(C)C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603200444 450136837 /nfs/dbraw/zinc/13/68/37/450136837.db2.gz NDRBSJOSIMDIHU-HNNXBMFYSA-N 2 1 337.468 1.537 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC[N@@H+]1CCO ZINC000613694391 450270850 /nfs/dbraw/zinc/27/08/50/450270850.db2.gz LZSBUAFXDFKXFO-HKUYNNGSSA-N 2 1 345.487 1.391 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC[N@H+]1CCO ZINC000613694391 450270852 /nfs/dbraw/zinc/27/08/52/450270852.db2.gz LZSBUAFXDFKXFO-HKUYNNGSSA-N 2 1 345.487 1.391 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC[N@@H+]1CCO ZINC000613694392 450271047 /nfs/dbraw/zinc/27/10/47/450271047.db2.gz LZSBUAFXDFKXFO-IEBWSBKVSA-N 2 1 345.487 1.391 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC[N@H+]1CCO ZINC000613694392 450271051 /nfs/dbraw/zinc/27/10/51/450271051.db2.gz LZSBUAFXDFKXFO-IEBWSBKVSA-N 2 1 345.487 1.391 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CCCC[NH+]1CCOCC1 ZINC000618985447 450362400 /nfs/dbraw/zinc/36/24/00/450362400.db2.gz JYCLWLVUASCWRJ-KRWDZBQOSA-N 2 1 325.497 1.726 20 0 EDADMP CC(C)[C@@H](C(=O)NCCCN1CCC[N@@H+](C)CC1)[NH+]1CCCCC1 ZINC000603899760 450372104 /nfs/dbraw/zinc/37/21/04/450372104.db2.gz HTTASVTWSZITCG-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCCN(C)CC1)[NH+]1CCCCC1 ZINC000603899760 450372106 /nfs/dbraw/zinc/37/21/06/450372106.db2.gz HTTASVTWSZITCG-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP CC(C)[C@@H](C(=O)NCCC[N@H+]1CCCN(C)CC1)[NH+]1CCCCC1 ZINC000603899760 450372108 /nfs/dbraw/zinc/37/21/08/450372108.db2.gz HTTASVTWSZITCG-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000625850702 450521242 /nfs/dbraw/zinc/52/12/42/450521242.db2.gz IRJBZZLHDFLSFT-ZWKOTPCHSA-N 2 1 346.475 1.823 20 0 EDADMP CC(C)C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000623475593 450527519 /nfs/dbraw/zinc/52/75/19/450527519.db2.gz UAKUJIRUKTVNCH-CVEARBPZSA-N 2 1 326.529 1.541 20 0 EDADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000623475593 450527520 /nfs/dbraw/zinc/52/75/20/450527520.db2.gz UAKUJIRUKTVNCH-CVEARBPZSA-N 3 1 326.529 1.541 20 0 EDADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000623475593 450527523 /nfs/dbraw/zinc/52/75/23/450527523.db2.gz UAKUJIRUKTVNCH-CVEARBPZSA-N 3 1 326.529 1.541 20 0 EDADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000623656481 450561651 /nfs/dbraw/zinc/56/16/51/450561651.db2.gz VHTNBSSRRZDIAF-HNNXBMFYSA-N 2 1 325.478 1.880 20 0 EDADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000623656481 450561654 /nfs/dbraw/zinc/56/16/54/450561654.db2.gz VHTNBSSRRZDIAF-HNNXBMFYSA-N 2 1 325.478 1.880 20 0 EDADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)CN1CCOCC1 ZINC000626062256 450565913 /nfs/dbraw/zinc/56/59/13/450565913.db2.gz MVJBLQNORHCPEW-IBGZPJMESA-N 2 1 335.492 1.263 20 0 EDADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1)[C@H]1CCSC1 ZINC000621107754 450581950 /nfs/dbraw/zinc/58/19/50/450581950.db2.gz LXQRFLGBULXICT-CVEARBPZSA-N 2 1 325.522 1.662 20 0 EDADMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCSC1 ZINC000621107754 450581953 /nfs/dbraw/zinc/58/19/53/450581953.db2.gz LXQRFLGBULXICT-CVEARBPZSA-N 2 1 325.522 1.662 20 0 EDADMP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCSC1 ZINC000621107754 450581956 /nfs/dbraw/zinc/58/19/56/450581956.db2.gz LXQRFLGBULXICT-CVEARBPZSA-N 2 1 325.522 1.662 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000621154098 450601181 /nfs/dbraw/zinc/60/11/81/450601181.db2.gz FYTVGIFRZYOLAZ-MSOLQXFVSA-N 2 1 331.460 1.344 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000621154098 450601185 /nfs/dbraw/zinc/60/11/85/450601185.db2.gz FYTVGIFRZYOLAZ-MSOLQXFVSA-N 2 1 331.460 1.344 20 0 EDADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cc2c1 ZINC000629510307 450720743 /nfs/dbraw/zinc/72/07/43/450720743.db2.gz BZUFCXBRUXOBCI-INIZCTEOSA-N 2 1 326.444 1.830 20 0 EDADMP CCN(CC[NH3+])CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000629557702 450734686 /nfs/dbraw/zinc/73/46/86/450734686.db2.gz DEOYSKKKHREQAW-UHFFFAOYSA-N 2 1 332.492 1.310 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000629568402 450740620 /nfs/dbraw/zinc/74/06/20/450740620.db2.gz UZUQDEWWSVTABY-UHFFFAOYSA-N 2 1 333.354 1.812 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000629568402 450740627 /nfs/dbraw/zinc/74/06/27/450740627.db2.gz UZUQDEWWSVTABY-UHFFFAOYSA-N 2 1 333.354 1.812 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000629569304 450741196 /nfs/dbraw/zinc/74/11/96/450741196.db2.gz ZMZCNDAWADJJNI-LBPRGKRZSA-N 2 1 343.855 1.843 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000629569304 450741199 /nfs/dbraw/zinc/74/11/99/450741199.db2.gz ZMZCNDAWADJJNI-LBPRGKRZSA-N 2 1 343.855 1.843 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CC[N@@H+]1C ZINC000631744492 450746280 /nfs/dbraw/zinc/74/62/80/450746280.db2.gz VIJNFTWYFBJMAN-OCVGTWLNSA-N 2 1 329.510 1.452 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CC[N@H+]1C ZINC000631744492 450746282 /nfs/dbraw/zinc/74/62/82/450746282.db2.gz VIJNFTWYFBJMAN-OCVGTWLNSA-N 2 1 329.510 1.452 20 0 EDADMP Cn1ccc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000629649976 450770961 /nfs/dbraw/zinc/77/09/61/450770961.db2.gz MTRHKBMGPBCYIL-INIZCTEOSA-N 2 1 328.464 1.537 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCCN2CCN(c3ccccc3)CC2)C1 ZINC000635253757 450784559 /nfs/dbraw/zinc/78/45/59/450784559.db2.gz MKASJMRCEUFJNQ-QGZVFWFLSA-N 2 1 330.476 1.267 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000635253757 450784563 /nfs/dbraw/zinc/78/45/63/450784563.db2.gz MKASJMRCEUFJNQ-QGZVFWFLSA-N 2 1 330.476 1.267 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000635253757 450784566 /nfs/dbraw/zinc/78/45/66/450784566.db2.gz MKASJMRCEUFJNQ-QGZVFWFLSA-N 2 1 330.476 1.267 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000621642213 450808216 /nfs/dbraw/zinc/80/82/16/450808216.db2.gz HMJBYPROVIHZMI-XDNAFOTISA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841769 450812053 /nfs/dbraw/zinc/81/20/53/450812053.db2.gz PKIIOJLLCLGGTQ-RBSFLKMASA-N 2 1 344.459 1.667 20 0 EDADMP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841769 450812059 /nfs/dbraw/zinc/81/20/59/450812059.db2.gz PKIIOJLLCLGGTQ-RBSFLKMASA-N 2 1 344.459 1.667 20 0 EDADMP CSc1ccccc1NC(=O)CC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863927 450833260 /nfs/dbraw/zinc/83/32/60/450833260.db2.gz HSSDMTICADFVRK-UHFFFAOYSA-N 2 1 337.489 1.783 20 0 EDADMP OCC[NH2+]C1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000631864532 450833964 /nfs/dbraw/zinc/83/39/64/450833964.db2.gz PIBZMBHVTMPCFY-UHFFFAOYSA-N 2 1 336.461 1.777 20 0 EDADMP CCCn1nccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826216 450800011 /nfs/dbraw/zinc/80/00/11/450800011.db2.gz HYEJAIZOYJGZBE-HZPDHXFCSA-N 2 1 333.480 1.943 20 0 EDADMP CCN(CC(F)(F)F)C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000631827905 450800873 /nfs/dbraw/zinc/80/08/73/450800873.db2.gz YXKWBDKVERWKLA-OCCSQVGLSA-N 2 1 337.386 1.225 20 0 EDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000631830079 450801979 /nfs/dbraw/zinc/80/19/79/450801979.db2.gz IXOVCWBMPFYEBU-ARFHVFGLSA-N 2 1 333.480 1.424 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000631949424 450907636 /nfs/dbraw/zinc/90/76/36/450907636.db2.gz GJEAQXIZLFOBPG-HNNXBMFYSA-N 2 1 329.510 1.122 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000635408780 450915884 /nfs/dbraw/zinc/91/58/84/450915884.db2.gz OQBBIKKFYLFTKK-WBVHZDCISA-N 2 1 344.459 1.417 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000635408780 450915888 /nfs/dbraw/zinc/91/58/88/450915888.db2.gz OQBBIKKFYLFTKK-WBVHZDCISA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000635408780 450915894 /nfs/dbraw/zinc/91/58/94/450915894.db2.gz OQBBIKKFYLFTKK-WBVHZDCISA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000635408780 450915897 /nfs/dbraw/zinc/91/58/97/450915897.db2.gz OQBBIKKFYLFTKK-WBVHZDCISA-N 2 1 344.459 1.417 20 0 EDADMP C[N@H+]1CCCC[C@@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000624614477 450924799 /nfs/dbraw/zinc/92/47/99/450924799.db2.gz SPKARDQEFUSIFX-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635448100 450949341 /nfs/dbraw/zinc/94/93/41/450949341.db2.gz CLEVNQKPBOGPAR-MRXNPFEDSA-N 2 1 325.497 1.581 20 0 EDADMP CN1CCC([NH+]2CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC2)CC1 ZINC000635458907 450959446 /nfs/dbraw/zinc/95/94/46/450959446.db2.gz WSIVEGFRQUYCOM-UHFFFAOYSA-N 2 1 338.540 1.639 20 0 EDADMP CN(CCOCC[NH3+])C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000626938324 451019270 /nfs/dbraw/zinc/01/92/70/451019270.db2.gz CNONFLCZHNFBAQ-UHFFFAOYSA-N 2 1 348.491 1.440 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000626937701 451019426 /nfs/dbraw/zinc/01/94/26/451019426.db2.gz XAGOSUSKMPMYSY-XHSDSOJGSA-N 2 1 326.485 1.032 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000626939724 451020297 /nfs/dbraw/zinc/02/02/97/451020297.db2.gz MPERIQQAELJLJM-NFAWXSAZSA-N 2 1 336.505 1.934 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000626939724 451020303 /nfs/dbraw/zinc/02/03/03/451020303.db2.gz MPERIQQAELJLJM-NFAWXSAZSA-N 2 1 336.505 1.934 20 0 EDADMP O=C(NC1CC([NH+]2CCOCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000627940301 451036899 /nfs/dbraw/zinc/03/68/99/451036899.db2.gz CZTCBBNYKNYRTC-VMWRSERWSA-N 2 1 335.492 1.763 20 0 EDADMP O=C(NC1CC([NH+]2CCOCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000627940301 451036908 /nfs/dbraw/zinc/03/69/08/451036908.db2.gz CZTCBBNYKNYRTC-VMWRSERWSA-N 2 1 335.492 1.763 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1CCCC1(C)C ZINC000622096959 451041743 /nfs/dbraw/zinc/04/17/43/451041743.db2.gz JANCLGSGDZSVAF-MRXNPFEDSA-N 2 1 325.497 1.770 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626972215 451043244 /nfs/dbraw/zinc/04/32/44/451043244.db2.gz ZJLZSDDTNCGVQB-HNNXBMFYSA-N 2 1 326.485 1.448 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000633865063 451052587 /nfs/dbraw/zinc/05/25/87/451052587.db2.gz BHARWPJTAUKPST-HZPDHXFCSA-N 2 1 339.528 1.183 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000633865063 451052590 /nfs/dbraw/zinc/05/25/90/451052590.db2.gz BHARWPJTAUKPST-HZPDHXFCSA-N 2 1 339.528 1.183 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000633865063 451052594 /nfs/dbraw/zinc/05/25/94/451052594.db2.gz BHARWPJTAUKPST-HZPDHXFCSA-N 2 1 339.528 1.183 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000633865063 451052597 /nfs/dbraw/zinc/05/25/97/451052597.db2.gz BHARWPJTAUKPST-HZPDHXFCSA-N 2 1 339.528 1.183 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000633865063 451052601 /nfs/dbraw/zinc/05/26/01/451052601.db2.gz BHARWPJTAUKPST-HZPDHXFCSA-N 2 1 339.528 1.183 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000626993970 451059349 /nfs/dbraw/zinc/05/93/49/451059349.db2.gz SGRRBIUKRGGACQ-AEFFLSMTSA-N 2 1 348.491 1.432 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCCOCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000626995513 451060847 /nfs/dbraw/zinc/06/08/47/451060847.db2.gz VPPQNJPIXFIOKK-FUHWJXTLSA-N 2 1 348.491 1.704 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000632141050 451066624 /nfs/dbraw/zinc/06/66/24/451066624.db2.gz NYSILCKCWIPMAR-UHFFFAOYSA-N 2 1 341.521 1.768 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000635572592 451072043 /nfs/dbraw/zinc/07/20/43/451072043.db2.gz MFBKAMYJQKYPBS-ZACQAIPSSA-N 2 1 325.497 1.581 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC000635572592 451072047 /nfs/dbraw/zinc/07/20/47/451072047.db2.gz MFBKAMYJQKYPBS-ZACQAIPSSA-N 2 1 325.497 1.581 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC000635572592 451072050 /nfs/dbraw/zinc/07/20/50/451072050.db2.gz MFBKAMYJQKYPBS-ZACQAIPSSA-N 2 1 325.497 1.581 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)N[C@@H]3CC[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000627011244 451075788 /nfs/dbraw/zinc/07/57/88/451075788.db2.gz ZRJBSOJGSYWGCA-FHLIZLRMSA-N 2 1 344.459 1.634 20 0 EDADMP Cc1ccc(CNC(=O)N(C)CCOCC[NH3+])c(N2CCCC2)[nH+]1 ZINC000627011969 451076217 /nfs/dbraw/zinc/07/62/17/451076217.db2.gz NUCIJWYSGUYEFD-UHFFFAOYSA-N 2 1 335.452 1.107 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C[NH2+]1 ZINC000627011972 451076851 /nfs/dbraw/zinc/07/68/51/451076851.db2.gz NVBOMNGUORKQMP-JLSDUUJJSA-N 2 1 346.475 1.193 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000627015776 451080883 /nfs/dbraw/zinc/08/08/83/451080883.db2.gz BJRFHDQYJZSMJG-QGTPRVQTSA-N 2 1 330.476 1.947 20 0 EDADMP [NH3+]CC1(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627023587 451087561 /nfs/dbraw/zinc/08/75/61/451087561.db2.gz YNLYSVBSQBKOOY-QGZVFWFLSA-N 2 1 346.475 1.316 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCCOCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000627038721 451095525 /nfs/dbraw/zinc/09/55/25/451095525.db2.gz LZHNOGUJBAIELE-DOTOQJQBSA-N 2 1 334.464 1.314 20 0 EDADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627111552 451127970 /nfs/dbraw/zinc/12/79/70/451127970.db2.gz SJSJGUXEQWPSBZ-LVQVYYBASA-N 2 1 326.485 1.124 20 0 EDADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627111552 451127974 /nfs/dbraw/zinc/12/79/74/451127974.db2.gz SJSJGUXEQWPSBZ-LVQVYYBASA-N 2 1 326.485 1.124 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)c2ccc(C[NH+](C)C)nc2)CCCO1 ZINC000622556829 451169438 /nfs/dbraw/zinc/16/94/38/451169438.db2.gz QNCQVPZKSXSGNR-HNNXBMFYSA-N 2 1 334.464 1.374 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC000627195886 451180162 /nfs/dbraw/zinc/18/01/62/451180162.db2.gz FQXLGIURIVTNPD-JSRQGNBESA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638098660 451262601 /nfs/dbraw/zinc/26/26/01/451262601.db2.gz CEHPEFMDAVAMST-BMGDILEWSA-N 2 1 331.460 1.614 20 0 EDADMP CCC(CC)[C@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+]1CCCC1 ZINC000636524756 451266856 /nfs/dbraw/zinc/26/68/56/451266856.db2.gz UPRQRSRWOMWVCC-SJORKVTESA-N 2 1 340.512 1.253 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000638103312 451270221 /nfs/dbraw/zinc/27/02/21/451270221.db2.gz ZTLWHBVPWJDXDO-KGLIPLIRSA-N 2 1 345.365 1.542 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000638103312 451270228 /nfs/dbraw/zinc/27/02/28/451270228.db2.gz ZTLWHBVPWJDXDO-KGLIPLIRSA-N 2 1 345.365 1.542 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638118839 451287256 /nfs/dbraw/zinc/28/72/56/451287256.db2.gz DTIMZTWKMRSDIK-PBHICJAKSA-N 2 1 339.443 1.576 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000638116010 451285280 /nfs/dbraw/zinc/28/52/80/451285280.db2.gz BZUIZGHBKKMVTL-AOIWGVFYSA-N 2 1 331.460 1.534 20 0 EDADMP CC(C)CC[C@@H]([NH3+])C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000638139588 451314202 /nfs/dbraw/zinc/31/42/02/451314202.db2.gz MSKLFAKVOFZOFT-QGZVFWFLSA-N 2 1 338.540 1.816 20 0 EDADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638203330 451353519 /nfs/dbraw/zinc/35/35/19/451353519.db2.gz FATKNDRBHIVJIC-DLBZAZTESA-N 3 1 344.503 1.579 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635928381 451372637 /nfs/dbraw/zinc/37/26/37/451372637.db2.gz FMYOPRZFZZAXOB-XKGZKEIXSA-N 2 1 345.487 1.591 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638176393 451338619 /nfs/dbraw/zinc/33/86/19/451338619.db2.gz YARXNBWSRQNOSQ-JKSUJKDBSA-N 2 1 337.414 1.855 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638176393 451338626 /nfs/dbraw/zinc/33/86/26/451338626.db2.gz YARXNBWSRQNOSQ-JKSUJKDBSA-N 2 1 337.414 1.855 20 0 EDADMP C[NH+]1CCN(c2cccc(C(=O)NC[C@@H]3CCCC[N@@H+](C)C3)n2)CC1 ZINC000628750542 451396060 /nfs/dbraw/zinc/39/60/60/451396060.db2.gz STVOLWQZBAJTGW-INIZCTEOSA-N 2 1 345.491 1.295 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)CCC3C[NH2+]C3)cc2)CC1 ZINC000638300510 451416650 /nfs/dbraw/zinc/41/66/50/451416650.db2.gz GRZATZAYWYJWOS-UHFFFAOYSA-N 2 1 344.459 1.289 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000638309897 451423709 /nfs/dbraw/zinc/42/37/09/451423709.db2.gz QLNIOUQXGIGRDJ-SZMVWBNQSA-N 2 1 331.460 1.508 20 0 EDADMP O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000634642781 451436204 /nfs/dbraw/zinc/43/62/04/451436204.db2.gz QNVYAHOQBSLNGX-WDMOLILDSA-N 2 1 331.243 1.884 20 0 EDADMP O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000634642781 451436205 /nfs/dbraw/zinc/43/62/05/451436205.db2.gz QNVYAHOQBSLNGX-WDMOLILDSA-N 2 1 331.243 1.884 20 0 EDADMP CN(C)c1cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc[nH+]1 ZINC000640603712 451450044 /nfs/dbraw/zinc/45/00/44/451450044.db2.gz DSQYDGOGAOUVCT-JKSUJKDBSA-N 2 1 347.463 1.647 20 0 EDADMP CC[C@](C)(C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)OC ZINC000638364758 451462210 /nfs/dbraw/zinc/46/22/10/451462210.db2.gz PEYCYUFREKPULF-LJQANCHMSA-N 2 1 333.476 1.979 20 0 EDADMP COc1ccc(CN2CC[C@H]2C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000636052370 451468157 /nfs/dbraw/zinc/46/81/57/451468157.db2.gz CQIIUICJNGSMAU-WMZOPIPTSA-N 2 1 331.460 1.822 20 0 EDADMP O[C@]1(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)CC[NH+](Cc2ccccc2)C1 ZINC000634699930 451473793 /nfs/dbraw/zinc/47/37/93/451473793.db2.gz QQYWZRFDBOJUOU-AQNXPRMDSA-N 2 1 329.488 1.840 20 0 EDADMP O[C@]1(CN[C@@H]2CC[NH+]3CCCC[C@H]23)CC[N@H+](Cc2ccccc2)C1 ZINC000634699930 451473799 /nfs/dbraw/zinc/47/37/99/451473799.db2.gz QQYWZRFDBOJUOU-AQNXPRMDSA-N 2 1 329.488 1.840 20 0 EDADMP O[C@]1(CN[C@@H]2CC[NH+]3CCCC[C@H]23)CC[N@@H+](Cc2ccccc2)C1 ZINC000634699930 451473804 /nfs/dbraw/zinc/47/38/04/451473804.db2.gz QQYWZRFDBOJUOU-AQNXPRMDSA-N 2 1 329.488 1.840 20 0 EDADMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000638391920 451482465 /nfs/dbraw/zinc/48/24/65/451482465.db2.gz VPJQJPWQAJROME-RCCFBDPRSA-N 2 1 331.460 1.331 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000634710610 451489067 /nfs/dbraw/zinc/48/90/67/451489067.db2.gz BHRGGRJTRZHSAZ-YLJYHZDGSA-N 2 1 329.488 1.863 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000634710610 451489070 /nfs/dbraw/zinc/48/90/70/451489070.db2.gz BHRGGRJTRZHSAZ-YLJYHZDGSA-N 3 1 329.488 1.863 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000634710610 451489075 /nfs/dbraw/zinc/48/90/75/451489075.db2.gz BHRGGRJTRZHSAZ-YLJYHZDGSA-N 3 1 329.488 1.863 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000634710610 451489080 /nfs/dbraw/zinc/48/90/80/451489080.db2.gz BHRGGRJTRZHSAZ-YLJYHZDGSA-N 3 1 329.488 1.863 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000634710610 451489088 /nfs/dbraw/zinc/48/90/88/451489088.db2.gz BHRGGRJTRZHSAZ-YLJYHZDGSA-N 3 1 329.488 1.863 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000638402396 451491432 /nfs/dbraw/zinc/49/14/32/451491432.db2.gz LTPSIAVKQLUAIQ-DOTOQJQBSA-N 2 1 333.476 1.802 20 0 EDADMP Cc1n[nH]cc1CCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634717747 451497938 /nfs/dbraw/zinc/49/79/38/451497938.db2.gz QMYHZYKJRHZDPP-IBGZPJMESA-N 2 1 328.460 1.877 20 0 EDADMP Cc1n[nH]cc1CCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634717747 451497944 /nfs/dbraw/zinc/49/79/44/451497944.db2.gz QMYHZYKJRHZDPP-IBGZPJMESA-N 2 1 328.460 1.877 20 0 EDADMP OC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000634720900 451501889 /nfs/dbraw/zinc/50/18/89/451501889.db2.gz QJQJKDWMCBHQNV-RTBURBONSA-N 2 1 334.460 1.001 20 0 EDADMP OC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000634720900 451501896 /nfs/dbraw/zinc/50/18/96/451501896.db2.gz QJQJKDWMCBHQNV-RTBURBONSA-N 2 1 334.460 1.001 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733188 451511429 /nfs/dbraw/zinc/51/14/29/451511429.db2.gz ZDOUOOKKEICSIL-HNNXBMFYSA-N 2 1 335.496 1.433 20 0 EDADMP C[C@H](C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C ZINC000636123961 451529425 /nfs/dbraw/zinc/52/94/25/451529425.db2.gz SYBTZIPPDOMLNT-KBAYOESNSA-N 2 1 331.460 1.438 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638506547 451550619 /nfs/dbraw/zinc/55/06/19/451550619.db2.gz VLISVDNRBHGFMI-GOSISDBHSA-N 2 1 342.487 1.205 20 0 EDADMP C[N@@H+](CC(=O)NCC1CC[NH+](C2CCOCC2)CC1)CC(C)(C)C ZINC000636157590 451552767 /nfs/dbraw/zinc/55/27/67/451552767.db2.gz OCKQMBNQINXDBG-UHFFFAOYSA-N 2 1 339.524 1.972 20 0 EDADMP [NH3+]C1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCOCC1 ZINC000638541848 451568634 /nfs/dbraw/zinc/56/86/34/451568634.db2.gz YFIWQZTVUCMEPR-MRXNPFEDSA-N 2 1 335.423 1.414 20 0 EDADMP [NH3+]C1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCOCC1 ZINC000638541848 451568644 /nfs/dbraw/zinc/56/86/44/451568644.db2.gz YFIWQZTVUCMEPR-MRXNPFEDSA-N 2 1 335.423 1.414 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638548138 451571085 /nfs/dbraw/zinc/57/10/85/451571085.db2.gz BHYHREZMJNGETJ-KRWDZBQOSA-N 2 1 340.556 1.085 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)n2cc(C[NH2+]C3CCCC3)nn2)CC1 ZINC000640829730 451614440 /nfs/dbraw/zinc/61/44/40/451614440.db2.gz DLZDQLXHHFXDNZ-AWEZNQCLSA-N 2 1 334.468 1.035 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[NH2+]C2CCCCCC2)C[C@H](C)[N@@H+]1CCO ZINC000638718488 451664534 /nfs/dbraw/zinc/66/45/34/451664534.db2.gz CPFHGPJTDRMTOQ-IYBDPMFKSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2Br)C[NH2+]1 ZINC000638653338 451633100 /nfs/dbraw/zinc/63/31/00/451633100.db2.gz XEFXFUUXWZKOIO-GIPNMCIBSA-N 2 1 326.238 1.706 20 0 EDADMP CN1CCN(c2cc[nH+]cc2NC2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638811252 451699097 /nfs/dbraw/zinc/69/90/97/451699097.db2.gz NTEVUISTEOLXOR-UHFFFAOYSA-N 2 1 347.507 1.481 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CCCCC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000638820608 451701053 /nfs/dbraw/zinc/70/10/53/451701053.db2.gz XKEHZUFZZNOWPQ-MOPGFXCFSA-N 2 1 344.503 1.705 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000638835518 451705501 /nfs/dbraw/zinc/70/55/01/451705501.db2.gz MECAWRLEZOAYSQ-NJAFHUGGSA-N 2 1 331.460 1.249 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)Cn2cc(C[NH+]3CCCCC3)nn2)CC1 ZINC000641048001 451741117 /nfs/dbraw/zinc/74/11/17/451741117.db2.gz UCEFJENTOWZPRG-UHFFFAOYSA-N 2 1 348.495 1.253 20 0 EDADMP CN(C)c1cccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000641073119 451745445 /nfs/dbraw/zinc/74/54/45/451745445.db2.gz OKQJQOORQSSUMK-UHFFFAOYSA-N 2 1 328.464 1.358 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641090302 451747414 /nfs/dbraw/zinc/74/74/14/451747414.db2.gz GNICNMYKZZIWKN-SJORKVTESA-N 3 1 339.528 1.186 20 0 EDADMP Cc1ncc([C@@H](C)[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c(C)n1 ZINC000639206461 451791263 /nfs/dbraw/zinc/79/12/63/451791263.db2.gz PRTOSSNWYIQUHQ-CQSZACIVSA-N 2 1 333.480 1.736 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCCC1CC[NH2+]CC1 ZINC000653272610 451808715 /nfs/dbraw/zinc/80/87/15/451808715.db2.gz WDAYYOFYPCVLSS-IBGZPJMESA-N 2 1 345.487 1.783 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCC1CC[NH2+]CC1 ZINC000653272610 451808719 /nfs/dbraw/zinc/80/87/19/451808719.db2.gz WDAYYOFYPCVLSS-IBGZPJMESA-N 2 1 345.487 1.783 20 0 EDADMP CC(C)OC[C@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000644527861 451842438 /nfs/dbraw/zinc/84/24/38/451842438.db2.gz AKDSZQSOUJDCTQ-QFBILLFUSA-N 2 1 336.476 1.783 20 0 EDADMP CC(C)OC[C@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000644527861 451842446 /nfs/dbraw/zinc/84/24/46/451842446.db2.gz AKDSZQSOUJDCTQ-QFBILLFUSA-N 2 1 336.476 1.783 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000646795492 451844774 /nfs/dbraw/zinc/84/47/74/451844774.db2.gz MQQPAIATMHFFDJ-IBGZPJMESA-N 2 1 347.503 1.636 20 0 EDADMP COCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646795492 451844781 /nfs/dbraw/zinc/84/47/81/451844781.db2.gz MQQPAIATMHFFDJ-IBGZPJMESA-N 2 1 347.503 1.636 20 0 EDADMP COCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646795492 451844787 /nfs/dbraw/zinc/84/47/87/451844787.db2.gz MQQPAIATMHFFDJ-IBGZPJMESA-N 2 1 347.503 1.636 20 0 EDADMP COCC[N@H+](C)CCNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000646795522 451845199 /nfs/dbraw/zinc/84/51/99/451845199.db2.gz ORYWBQRDKXAANZ-UHFFFAOYSA-N 2 1 344.459 1.464 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000646795522 451845205 /nfs/dbraw/zinc/84/52/05/451845205.db2.gz ORYWBQRDKXAANZ-UHFFFAOYSA-N 2 1 344.459 1.464 20 0 EDADMP COCC[NH+](C)CCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000646795522 451845208 /nfs/dbraw/zinc/84/52/08/451845208.db2.gz ORYWBQRDKXAANZ-UHFFFAOYSA-N 2 1 344.459 1.464 20 0 EDADMP COCC[NH+](C)CCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000646795522 451845214 /nfs/dbraw/zinc/84/52/14/451845214.db2.gz ORYWBQRDKXAANZ-UHFFFAOYSA-N 2 1 344.459 1.464 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CCO1 ZINC000646851350 451887628 /nfs/dbraw/zinc/88/76/28/451887628.db2.gz TZVYVDFKFBYLSN-XIRDDKMYSA-N 2 1 349.500 1.351 20 0 EDADMP CCOCCO[C@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639544072 451934048 /nfs/dbraw/zinc/93/40/48/451934048.db2.gz FRFOYARANOHFOO-VQTJNVASSA-N 2 1 348.487 1.751 20 0 EDADMP CCOCCO[C@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639544072 451934055 /nfs/dbraw/zinc/93/40/55/451934055.db2.gz FRFOYARANOHFOO-VQTJNVASSA-N 2 1 348.487 1.751 20 0 EDADMP CCOCCO[C@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639544072 451934062 /nfs/dbraw/zinc/93/40/62/451934062.db2.gz FRFOYARANOHFOO-VQTJNVASSA-N 2 1 348.487 1.751 20 0 EDADMP CCOCCO[C@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639544072 451934068 /nfs/dbraw/zinc/93/40/68/451934068.db2.gz FRFOYARANOHFOO-VQTJNVASSA-N 2 1 348.487 1.751 20 0 EDADMP C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3C[NH+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000646922196 451938869 /nfs/dbraw/zinc/93/88/69/451938869.db2.gz JRXFKQATYYEDBK-GBESFXJTSA-N 2 1 343.471 1.440 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3C[NH+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000646922196 451938876 /nfs/dbraw/zinc/93/88/76/451938876.db2.gz JRXFKQATYYEDBK-GBESFXJTSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3C[N@H+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000646922196 451938883 /nfs/dbraw/zinc/93/88/83/451938883.db2.gz JRXFKQATYYEDBK-GBESFXJTSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000646922196 451938886 /nfs/dbraw/zinc/93/88/86/451938886.db2.gz JRXFKQATYYEDBK-GBESFXJTSA-N 2 1 343.471 1.440 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649288461 451961617 /nfs/dbraw/zinc/96/16/17/451961617.db2.gz SBQHXMFZZCZUEB-APWZRJJASA-N 2 1 345.487 1.771 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cnn1C ZINC000649306912 451984028 /nfs/dbraw/zinc/98/40/28/451984028.db2.gz ZBQAYFQYVZCUPM-DTDBQYNISA-N 2 1 347.507 1.268 20 0 EDADMP CC(C)[C@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000637663290 452006678 /nfs/dbraw/zinc/00/66/78/452006678.db2.gz QMFYQBBLZYPEBS-QGZVFWFLSA-N 2 1 348.495 1.954 20 0 EDADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000649327716 452007730 /nfs/dbraw/zinc/00/77/30/452007730.db2.gz GXSUCDFNEAEDGU-MRXNPFEDSA-N 2 1 342.447 1.330 20 0 EDADMP C[C@@H](NC(=O)C1CCC([NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649340166 452021413 /nfs/dbraw/zinc/02/14/13/452021413.db2.gz FQAIRCYBCFICNP-HJZRJOMTSA-N 2 1 345.487 1.910 20 0 EDADMP C[C@@H](NC(=O)C1CCC([NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649340166 452021419 /nfs/dbraw/zinc/02/14/19/452021419.db2.gz FQAIRCYBCFICNP-HJZRJOMTSA-N 2 1 345.487 1.910 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@]3(N)CC[NH+](C)C3)cc2)C1 ZINC000649345711 452025785 /nfs/dbraw/zinc/02/57/85/452025785.db2.gz LSBROGBIBFNFSJ-KXBFYZLASA-N 2 1 346.475 1.379 20 0 EDADMP C[C@H]1CC[NH+](CCOc2ccc(NC(=O)[C@]3(N)CC[N@H+](C)C3)cc2)C1 ZINC000649345711 452025790 /nfs/dbraw/zinc/02/57/90/452025790.db2.gz LSBROGBIBFNFSJ-KXBFYZLASA-N 2 1 346.475 1.379 20 0 EDADMP C[C@H]1CC[NH+](CCOc2ccc(NC(=O)[C@]3(N)CC[N@@H+](C)C3)cc2)C1 ZINC000649345711 452025795 /nfs/dbraw/zinc/02/57/95/452025795.db2.gz LSBROGBIBFNFSJ-KXBFYZLASA-N 2 1 346.475 1.379 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000649352618 452036952 /nfs/dbraw/zinc/03/69/52/452036952.db2.gz ADGSJYPDLQQNQC-GOSISDBHSA-N 2 1 344.503 1.301 20 0 EDADMP Cc1cc(N2CC[C@H]([N@H+]3CCC4(C3)CC[NH+](C)CC4)C2=O)n(C)n1 ZINC000639758655 452097757 /nfs/dbraw/zinc/09/77/57/452097757.db2.gz XCQPQCNZIYDWGM-HNNXBMFYSA-N 2 1 331.464 1.252 20 0 EDADMP [NH3+]C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000637859654 452117592 /nfs/dbraw/zinc/11/75/92/452117592.db2.gz NNVDFCZBHQROMZ-SJORKVTESA-N 2 1 338.496 1.400 20 0 EDADMP COC1([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000643346249 452143785 /nfs/dbraw/zinc/14/37/85/452143785.db2.gz VLPWRFHLXSOYPD-IAGOWNOFSA-N 2 1 325.497 1.330 20 0 EDADMP C[N@H+]1CCC[C@H]1CN1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000649610694 452166711 /nfs/dbraw/zinc/16/67/11/452166711.db2.gz YOCBHLADYUAKPX-SFTDATJTSA-N 2 1 342.531 1.973 20 0 EDADMP C[NH+]1CCC[C@H]1CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000649610694 452166717 /nfs/dbraw/zinc/16/67/17/452166717.db2.gz YOCBHLADYUAKPX-SFTDATJTSA-N 2 1 342.531 1.973 20 0 EDADMP C[NH+]1CCC[C@H]1CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000649610694 452166724 /nfs/dbraw/zinc/16/67/24/452166724.db2.gz YOCBHLADYUAKPX-SFTDATJTSA-N 2 1 342.531 1.973 20 0 EDADMP Cn1cc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000637930515 452176199 /nfs/dbraw/zinc/17/61/99/452176199.db2.gz YDVRUJZCIWLLEC-UHFFFAOYSA-N 2 1 327.432 1.742 20 0 EDADMP O=c1[nH]c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc2[nH]1 ZINC000641727870 452224761 /nfs/dbraw/zinc/22/47/61/452224761.db2.gz XMXZPUDEGSLZPF-CQSZACIVSA-N 2 1 330.432 1.859 20 0 EDADMP COc1ccccc1-n1nccc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647492620 452235375 /nfs/dbraw/zinc/23/53/75/452235375.db2.gz OBANWNJBXYLEFA-UHFFFAOYSA-N 2 1 329.448 1.218 20 0 EDADMP COc1ccccc1-n1nccc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647492620 452235382 /nfs/dbraw/zinc/23/53/82/452235382.db2.gz OBANWNJBXYLEFA-UHFFFAOYSA-N 2 1 329.448 1.218 20 0 EDADMP CC[C@@H](CCO)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638005435 452243315 /nfs/dbraw/zinc/24/33/15/452243315.db2.gz QINDQNGWWKRRPB-KRWDZBQOSA-N 2 1 347.503 1.895 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000647527355 452260991 /nfs/dbraw/zinc/26/09/91/452260991.db2.gz UGYBQMPHIOIFPW-OALUTQOASA-N 2 1 329.444 1.240 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000647527355 452261001 /nfs/dbraw/zinc/26/10/01/452261001.db2.gz UGYBQMPHIOIFPW-OALUTQOASA-N 2 1 329.444 1.240 20 0 EDADMP COc1cc2[nH+]ccc(N[C@@H](C)[C@H]3C[N@H+](C)CCO3)c2cc1OC ZINC000665707868 452270097 /nfs/dbraw/zinc/27/00/97/452270097.db2.gz QASPANRQBDEJRL-KPZWWZAWSA-N 2 1 331.416 1.805 20 0 EDADMP COc1cc2[nH+]ccc(N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)c2cc1OC ZINC000665707868 452270108 /nfs/dbraw/zinc/27/01/08/452270108.db2.gz QASPANRQBDEJRL-KPZWWZAWSA-N 2 1 331.416 1.805 20 0 EDADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000641802731 452277801 /nfs/dbraw/zinc/27/78/01/452277801.db2.gz BGWWVXNSLNWYGK-ZLIFDBKOSA-N 2 1 328.460 1.931 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641804139 452279598 /nfs/dbraw/zinc/27/95/98/452279598.db2.gz IEFSJEPJOAQOHD-SJORKVTESA-N 2 1 333.476 1.848 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000659434852 452281950 /nfs/dbraw/zinc/28/19/50/452281950.db2.gz CWJJUACMVMNOPB-WMZOPIPTSA-N 2 1 347.507 1.272 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000659434852 452281960 /nfs/dbraw/zinc/28/19/60/452281960.db2.gz CWJJUACMVMNOPB-WMZOPIPTSA-N 2 1 347.507 1.272 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000659434852 452281965 /nfs/dbraw/zinc/28/19/65/452281965.db2.gz CWJJUACMVMNOPB-WMZOPIPTSA-N 2 1 347.507 1.272 20 0 EDADMP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)n(-c2ccc(F)cc2)n1 ZINC000641804947 452282508 /nfs/dbraw/zinc/28/25/08/452282508.db2.gz MHPSCBVVKZZHCN-CABCVRRESA-N 2 1 345.422 1.974 20 0 EDADMP CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641805348 452282654 /nfs/dbraw/zinc/28/26/54/452282654.db2.gz NDEFXSYZZUFCGO-GJZGRUSLSA-N 2 1 332.448 1.019 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@H](C)C1 ZINC000659456180 452306954 /nfs/dbraw/zinc/30/69/54/452306954.db2.gz IZLFRJXARVKZAQ-CABCVRRESA-N 2 1 328.501 1.502 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C)C(C)(C)C2)CCCO1 ZINC000641826605 452307707 /nfs/dbraw/zinc/30/77/07/452307707.db2.gz NZJXKDWRSDEEIF-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N2CC[N@H+](C)C(C)(C)C2)CCCO1 ZINC000641826605 452307717 /nfs/dbraw/zinc/30/77/17/452307717.db2.gz NZJXKDWRSDEEIF-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](C)C(C)(C)C2)CCCO1 ZINC000641826605 452307736 /nfs/dbraw/zinc/30/77/36/452307736.db2.gz NZJXKDWRSDEEIF-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659457747 452310636 /nfs/dbraw/zinc/31/06/36/452310636.db2.gz KFFATODAFKORKV-QZTJIDSGSA-N 2 1 334.508 1.892 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659459880 452312969 /nfs/dbraw/zinc/31/29/69/452312969.db2.gz HDXJRJXAFBYYAU-KRWDZBQOSA-N 2 1 340.512 1.376 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000659460627 452315934 /nfs/dbraw/zinc/31/59/34/452315934.db2.gz ZOSROHJGIBWWPB-HOTGVXAUSA-N 2 1 333.480 1.104 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CCCC1 ZINC000638049160 452317180 /nfs/dbraw/zinc/31/71/80/452317180.db2.gz IYLMZIQDUHVMJF-KRWDZBQOSA-N 2 1 332.492 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000638049160 452317193 /nfs/dbraw/zinc/31/71/93/452317193.db2.gz IYLMZIQDUHVMJF-KRWDZBQOSA-N 2 1 332.492 1.436 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000659470694 452327778 /nfs/dbraw/zinc/32/77/78/452327778.db2.gz HEZGVZFMFRGFCC-OWCLPIDISA-N 2 1 326.485 1.302 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@]1(O)CCC[C@H]1C ZINC000665762617 452338631 /nfs/dbraw/zinc/33/86/31/452338631.db2.gz KLRBAWJBGAEQBE-VYDXJSESSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@]1(O)CCC[C@H]1C ZINC000665762617 452338641 /nfs/dbraw/zinc/33/86/41/452338641.db2.gz KLRBAWJBGAEQBE-VYDXJSESSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000665762521 452339009 /nfs/dbraw/zinc/33/90/09/452339009.db2.gz HFOPNQRTJPTIAG-UXLLHSPISA-N 2 1 340.512 1.467 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000665762521 452339015 /nfs/dbraw/zinc/33/90/15/452339015.db2.gz HFOPNQRTJPTIAG-UXLLHSPISA-N 2 1 340.512 1.467 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652148750 452342981 /nfs/dbraw/zinc/34/29/81/452342981.db2.gz FHVQNADQVSQDPK-LBPRGKRZSA-N 2 1 333.411 1.925 20 0 EDADMP CC[NH+]1CCC(N(C)C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638058899 452347924 /nfs/dbraw/zinc/34/79/24/452347924.db2.gz CNRAXKMFNVNROO-GOSISDBHSA-N 2 1 332.492 1.388 20 0 EDADMP C[C@H]1[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000659493909 452356834 /nfs/dbraw/zinc/35/68/34/452356834.db2.gz YFKSMMPVJLBBBY-RKTXRCNFSA-N 2 1 334.439 1.730 20 0 EDADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000638062958 452358297 /nfs/dbraw/zinc/35/82/97/452358297.db2.gz KOWPQNABNQPRNG-IEBWSBKVSA-N 2 1 333.476 1.910 20 0 EDADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000647624607 452361744 /nfs/dbraw/zinc/36/17/44/452361744.db2.gz HKQHKLHPGYDZAY-PKOBYXMFSA-N 2 1 337.508 1.699 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638079353 452395179 /nfs/dbraw/zinc/39/51/79/452395179.db2.gz SMIXFGGDAIPPIQ-QZTJIDSGSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638079353 452395190 /nfs/dbraw/zinc/39/51/90/452395190.db2.gz SMIXFGGDAIPPIQ-QZTJIDSGSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638079353 452395202 /nfs/dbraw/zinc/39/52/02/452395202.db2.gz SMIXFGGDAIPPIQ-QZTJIDSGSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638079353 452395211 /nfs/dbraw/zinc/39/52/11/452395211.db2.gz SMIXFGGDAIPPIQ-QZTJIDSGSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638079353 452395218 /nfs/dbraw/zinc/39/52/18/452395218.db2.gz SMIXFGGDAIPPIQ-QZTJIDSGSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638079352 452396303 /nfs/dbraw/zinc/39/63/03/452396303.db2.gz SMIXFGGDAIPPIQ-MSOLQXFVSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638079352 452396312 /nfs/dbraw/zinc/39/63/12/452396312.db2.gz SMIXFGGDAIPPIQ-MSOLQXFVSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638079352 452396322 /nfs/dbraw/zinc/39/63/22/452396322.db2.gz SMIXFGGDAIPPIQ-MSOLQXFVSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638079352 452396331 /nfs/dbraw/zinc/39/63/31/452396331.db2.gz SMIXFGGDAIPPIQ-MSOLQXFVSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638079352 452396337 /nfs/dbraw/zinc/39/63/37/452396337.db2.gz SMIXFGGDAIPPIQ-MSOLQXFVSA-N 2 1 332.492 1.292 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652202488 452401457 /nfs/dbraw/zinc/40/14/57/452401457.db2.gz LKJNJOGBVYMGAH-MSOLQXFVSA-N 2 1 330.476 1.554 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652202488 452401465 /nfs/dbraw/zinc/40/14/65/452401465.db2.gz LKJNJOGBVYMGAH-MSOLQXFVSA-N 2 1 330.476 1.554 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652216089 452409054 /nfs/dbraw/zinc/40/90/54/452409054.db2.gz ISNJSDJVCCRMNM-KSZLIROESA-N 2 1 330.476 1.825 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652216089 452409062 /nfs/dbraw/zinc/40/90/62/452409062.db2.gz ISNJSDJVCCRMNM-KSZLIROESA-N 2 1 330.476 1.825 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000647707660 452440526 /nfs/dbraw/zinc/44/05/26/452440526.db2.gz BGXQNBCQCFVXDU-AYOQOUSVSA-N 2 1 343.471 1.101 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000647707660 452440532 /nfs/dbraw/zinc/44/05/32/452440532.db2.gz BGXQNBCQCFVXDU-AYOQOUSVSA-N 2 1 343.471 1.101 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000647707660 452440538 /nfs/dbraw/zinc/44/05/38/452440538.db2.gz BGXQNBCQCFVXDU-AYOQOUSVSA-N 2 1 343.471 1.101 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000647707660 452440543 /nfs/dbraw/zinc/44/05/43/452440543.db2.gz BGXQNBCQCFVXDU-AYOQOUSVSA-N 2 1 343.471 1.101 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000645478289 452449934 /nfs/dbraw/zinc/44/99/34/452449934.db2.gz DNAIRENDGSNANG-UHFFFAOYSA-N 2 1 347.507 1.170 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000654412803 452466739 /nfs/dbraw/zinc/46/67/39/452466739.db2.gz BKYRPUOVBRXGGJ-UHFFFAOYSA-N 2 1 346.519 1.894 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616098 452473170 /nfs/dbraw/zinc/47/31/70/452473170.db2.gz JAZWBQNXVWAMQF-ZJRDLVKKSA-N 2 1 342.487 1.902 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@]2(O)CCCOC2)[C@@H](C)C1 ZINC000652324551 452498569 /nfs/dbraw/zinc/49/85/69/452498569.db2.gz DWIKJHKMOACFPT-OKZBNKHCSA-N 2 1 328.497 1.645 20 0 EDADMP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000654452814 452518189 /nfs/dbraw/zinc/51/81/89/452518189.db2.gz XTALQULWDZMQOC-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP OCCn1ncc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655698695 452518924 /nfs/dbraw/zinc/51/89/24/452518924.db2.gz UJCHATFMXXMZAP-AEFFLSMTSA-N 2 1 348.491 1.486 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458034 452520991 /nfs/dbraw/zinc/52/09/91/452520991.db2.gz XDEDPBQNQTZYJO-WCVJEAGWSA-N 2 1 326.485 1.268 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458034 452520996 /nfs/dbraw/zinc/52/09/96/452520996.db2.gz XDEDPBQNQTZYJO-WCVJEAGWSA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458034 452521006 /nfs/dbraw/zinc/52/10/06/452521006.db2.gz XDEDPBQNQTZYJO-WCVJEAGWSA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458034 452521013 /nfs/dbraw/zinc/52/10/13/452521013.db2.gz XDEDPBQNQTZYJO-WCVJEAGWSA-N 2 1 326.485 1.268 20 0 EDADMP CN1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2)CC1 ZINC000647787858 452523245 /nfs/dbraw/zinc/52/32/45/452523245.db2.gz AGTLNTWYSGYQSD-FGTMMUONSA-N 2 1 329.492 1.311 20 0 EDADMP CCCCOCCNC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347660 452523779 /nfs/dbraw/zinc/52/37/79/452523779.db2.gz IDTBGKZBIQWLHV-GVDBMIGSSA-N 2 1 341.496 1.138 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349573 452525116 /nfs/dbraw/zinc/52/51/16/452525116.db2.gz SUXWCOIJSROOMY-SWBPCFCJSA-N 3 1 347.503 1.136 20 0 EDADMP CS(=O)(=O)CC1(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652350087 452525996 /nfs/dbraw/zinc/52/59/96/452525996.db2.gz FIUHTNMUZJNDEA-ZNMIVQPWSA-N 2 1 330.494 1.030 20 0 EDADMP C[NH+]1CCN(C(=O)CCN2CCOC[C@@H]2c2cccc(F)c2)CC1 ZINC000661735165 452535960 /nfs/dbraw/zinc/53/59/60/452535960.db2.gz DPIUHDYXBUKWEX-QGZVFWFLSA-N 2 1 335.423 1.363 20 0 EDADMP CCCN(CCC)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361874 452541300 /nfs/dbraw/zinc/54/13/00/452541300.db2.gz ROZJYVZVUBYWTB-GVDBMIGSSA-N 2 1 325.497 1.996 20 0 EDADMP COc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652361060 452542652 /nfs/dbraw/zinc/54/26/52/452542652.db2.gz XDOYEXLPDXEPFS-BMGDILEWSA-N 2 1 347.459 1.995 20 0 EDADMP COc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652361060 452542656 /nfs/dbraw/zinc/54/26/56/452542656.db2.gz XDOYEXLPDXEPFS-BMGDILEWSA-N 2 1 347.459 1.995 20 0 EDADMP Cc1cccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652362358 452544537 /nfs/dbraw/zinc/54/45/37/452544537.db2.gz FKXWGMPILRHQCW-IPMKNSEASA-N 2 1 345.487 1.972 20 0 EDADMP Cn1cc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)on2)cn1 ZINC000652364040 452545601 /nfs/dbraw/zinc/54/56/01/452545601.db2.gz VWMSCAWNPMFBKR-ZTFGCOKTSA-N 2 1 345.447 1.936 20 0 EDADMP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000647834269 452567079 /nfs/dbraw/zinc/56/70/79/452567079.db2.gz ZACXXSAEFXTLFO-PKOBYXMFSA-N 2 1 344.503 1.355 20 0 EDADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834929 452569132 /nfs/dbraw/zinc/56/91/32/452569132.db2.gz FWLWJSNLHIIXDE-GFCCVEGCSA-N 2 1 342.846 1.643 20 0 EDADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834929 452569138 /nfs/dbraw/zinc/56/91/38/452569138.db2.gz FWLWJSNLHIIXDE-GFCCVEGCSA-N 2 1 342.846 1.643 20 0 EDADMP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834847 452569972 /nfs/dbraw/zinc/56/99/72/452569972.db2.gz BKCILNUQQIDQTP-CQSZACIVSA-N 2 1 338.883 1.812 20 0 EDADMP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834847 452569980 /nfs/dbraw/zinc/56/99/80/452569980.db2.gz BKCILNUQQIDQTP-CQSZACIVSA-N 2 1 338.883 1.812 20 0 EDADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835144 452570644 /nfs/dbraw/zinc/57/06/44/452570644.db2.gz OLHXEGQSIMEMPQ-SFHVURJKSA-N 2 1 332.492 1.433 20 0 EDADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835144 452570650 /nfs/dbraw/zinc/57/06/50/452570650.db2.gz OLHXEGQSIMEMPQ-SFHVURJKSA-N 2 1 332.492 1.433 20 0 EDADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655802226 452588334 /nfs/dbraw/zinc/58/83/34/452588334.db2.gz ZLZYRMIWHKWBPP-XLMAVXFVSA-N 2 1 325.497 1.327 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000654514032 452589521 /nfs/dbraw/zinc/58/95/21/452589521.db2.gz UKOAOHUGDBUDKP-MRXNPFEDSA-N 2 1 335.496 1.687 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659721496 452613661 /nfs/dbraw/zinc/61/36/61/452613661.db2.gz GWJXMRYJHROKJN-LSDHHAIUSA-N 2 1 338.496 1.143 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654539879 452621262 /nfs/dbraw/zinc/62/12/62/452621262.db2.gz ZFEHTKQFFKGGGZ-SOUVJXGZSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654539879 452621253 /nfs/dbraw/zinc/62/12/53/452621253.db2.gz ZFEHTKQFFKGGGZ-SOUVJXGZSA-N 2 1 326.485 1.268 20 0 EDADMP C[N@@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000647881168 452621568 /nfs/dbraw/zinc/62/15/68/452621568.db2.gz KPJJLZGBUYSSSM-GXTWGEPZSA-N 2 1 332.366 1.986 20 0 EDADMP C[N@@H+](C[C@H](O)COc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647881170 452621733 /nfs/dbraw/zinc/62/17/33/452621733.db2.gz KPJJLZGBUYSSSM-OCCSQVGLSA-N 2 1 332.366 1.986 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2Cc2ccccn2)C1 ZINC000654548132 452630885 /nfs/dbraw/zinc/63/08/85/452630885.db2.gz KRKABODOPWDLEP-ROUUACIJSA-N 2 1 330.476 1.987 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000654548132 452630892 /nfs/dbraw/zinc/63/08/92/452630892.db2.gz KRKABODOPWDLEP-ROUUACIJSA-N 2 1 330.476 1.987 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000654548132 452630903 /nfs/dbraw/zinc/63/09/03/452630903.db2.gz KRKABODOPWDLEP-ROUUACIJSA-N 2 1 330.476 1.987 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000654548132 452630912 /nfs/dbraw/zinc/63/09/12/452630912.db2.gz KRKABODOPWDLEP-ROUUACIJSA-N 2 1 330.476 1.987 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655909227 452666731 /nfs/dbraw/zinc/66/67/31/452666731.db2.gz CYZWCVJNTVHANW-WYUUTHIRSA-N 2 1 340.390 1.063 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655909227 452666736 /nfs/dbraw/zinc/66/67/36/452666736.db2.gz CYZWCVJNTVHANW-WYUUTHIRSA-N 2 1 340.390 1.063 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCCn2c3ccccc3[nH]c2=O)CC12CCOCC2 ZINC000647985695 452728860 /nfs/dbraw/zinc/72/88/60/452728860.db2.gz PBDZNOPADLEGIB-OAHLLOKOSA-N 2 1 344.459 1.819 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655958103 452737351 /nfs/dbraw/zinc/73/73/51/452737351.db2.gz IDUVIXHQCSUMTA-IRXDYDNUSA-N 2 1 344.459 1.478 20 0 EDADMP C[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654327 452761029 /nfs/dbraw/zinc/76/10/29/452761029.db2.gz XJJAGOONIJCPKB-OAGGEKHMSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654327 452761035 /nfs/dbraw/zinc/76/10/35/452761035.db2.gz XJJAGOONIJCPKB-OAGGEKHMSA-N 2 1 340.512 1.610 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000654655414 452763287 /nfs/dbraw/zinc/76/32/87/452763287.db2.gz GTVMODOALCFMQZ-NCOADZHNSA-N 2 1 340.512 1.610 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000654655414 452763295 /nfs/dbraw/zinc/76/32/95/452763295.db2.gz GTVMODOALCFMQZ-NCOADZHNSA-N 2 1 340.512 1.610 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000654655414 452763306 /nfs/dbraw/zinc/76/33/06/452763306.db2.gz GTVMODOALCFMQZ-NCOADZHNSA-N 2 1 340.512 1.610 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000654655414 452763316 /nfs/dbraw/zinc/76/33/16/452763316.db2.gz GTVMODOALCFMQZ-NCOADZHNSA-N 2 1 340.512 1.610 20 0 EDADMP CN(c1ccccc1)[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000662017757 452772167 /nfs/dbraw/zinc/77/21/67/452772167.db2.gz UNHNOVPXIDLRKG-SFHVURJKSA-N 2 1 330.476 1.361 20 0 EDADMP CN(c1ccccc1)[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000662017757 452772172 /nfs/dbraw/zinc/77/21/72/452772172.db2.gz UNHNOVPXIDLRKG-SFHVURJKSA-N 2 1 330.476 1.361 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)CC2)c1 ZINC000654660684 452774328 /nfs/dbraw/zinc/77/43/28/452774328.db2.gz CACJTPGZXPDYKH-IYBDPMFKSA-N 2 1 331.464 1.562 20 0 EDADMP COCCN(C)c1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cn1 ZINC000648071903 452799334 /nfs/dbraw/zinc/79/93/34/452799334.db2.gz AENSKMWOZONFMH-UHFFFAOYSA-N 2 1 348.491 1.461 20 0 EDADMP COCCN(C)c1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cn1 ZINC000648071903 452799343 /nfs/dbraw/zinc/79/93/43/452799343.db2.gz AENSKMWOZONFMH-UHFFFAOYSA-N 2 1 348.491 1.461 20 0 EDADMP CCN(C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2)[C@H]1CC[N@H+](C)C1 ZINC000658358791 452863590 /nfs/dbraw/zinc/86/35/90/452863590.db2.gz ZJFVITBUBXBLDS-INIZCTEOSA-N 2 1 330.432 1.123 20 0 EDADMP CCN(C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2)[C@H]1CC[N@@H+](C)C1 ZINC000658358791 452863600 /nfs/dbraw/zinc/86/36/00/452863600.db2.gz ZJFVITBUBXBLDS-INIZCTEOSA-N 2 1 330.432 1.123 20 0 EDADMP CCN(C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[C@H]1CC[NH+](C)C1 ZINC000658358791 452863608 /nfs/dbraw/zinc/86/36/08/452863608.db2.gz ZJFVITBUBXBLDS-INIZCTEOSA-N 2 1 330.432 1.123 20 0 EDADMP CCN(C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[C@H]1CC[NH+](C)C1 ZINC000658358791 452863617 /nfs/dbraw/zinc/86/36/17/452863617.db2.gz ZJFVITBUBXBLDS-INIZCTEOSA-N 2 1 330.432 1.123 20 0 EDADMP CCN(C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C)[C@H]1CC[N@@H+](C)C1 ZINC000658362590 452874182 /nfs/dbraw/zinc/87/41/82/452874182.db2.gz RUCQDXQXPVLFSN-INIZCTEOSA-N 2 1 346.475 1.548 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000648176084 452887058 /nfs/dbraw/zinc/88/70/58/452887058.db2.gz XHJFMUJUBHJJPX-MUQADHOPSA-N 2 1 347.507 1.636 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648176110 452888305 /nfs/dbraw/zinc/88/83/05/452888305.db2.gz ZENSQRYTFLMUIX-SOXILONMSA-N 2 1 331.464 1.012 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCS[C@H]1C ZINC000645915859 452895950 /nfs/dbraw/zinc/89/59/50/452895950.db2.gz HHVUFHIEWMEVHF-XHSDSOJGSA-N 2 1 342.553 1.938 20 0 EDADMP COc1ccc(-c2nccc(NCC[N@H+](C)CCC[NH+](C)C)n2)cc1 ZINC000664245907 452925474 /nfs/dbraw/zinc/92/54/74/452925474.db2.gz SSMXBVQJOIZDPF-UHFFFAOYSA-N 2 1 343.475 1.870 20 0 EDADMP COc1ccc(-c2nccc(NCC[N@@H+](C)CCC[NH+](C)C)n2)cc1 ZINC000664245907 452925479 /nfs/dbraw/zinc/92/54/79/452925479.db2.gz SSMXBVQJOIZDPF-UHFFFAOYSA-N 2 1 343.475 1.870 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718695 452950551 /nfs/dbraw/zinc/95/05/51/452950551.db2.gz UDINMGGWTCMMNL-UHFFFAOYSA-N 2 1 347.438 1.453 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000652814137 452972059 /nfs/dbraw/zinc/97/20/59/452972059.db2.gz RXWOHBOENKZNMH-OALUTQOASA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000652814137 452972073 /nfs/dbraw/zinc/97/20/73/452972073.db2.gz RXWOHBOENKZNMH-OALUTQOASA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000652814137 452972086 /nfs/dbraw/zinc/97/20/86/452972086.db2.gz RXWOHBOENKZNMH-OALUTQOASA-N 2 1 345.487 1.829 20 0 EDADMP c1cc2c(ncnc2N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)s1 ZINC000662259917 452988238 /nfs/dbraw/zinc/98/82/38/452988238.db2.gz CVYAXKQNDVHJAR-CYBMUJFWSA-N 2 1 345.472 1.334 20 0 EDADMP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000662261177 452991694 /nfs/dbraw/zinc/99/16/94/452991694.db2.gz TXXIXJKQBATIEX-CVEARBPZSA-N 2 1 344.459 1.562 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C(F)F)C3)CC2)CC1 ZINC000654917820 453033374 /nfs/dbraw/zinc/03/33/74/453033374.db2.gz FUARYDFKMIQDKJ-UHFFFAOYSA-N 2 1 329.435 1.906 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662341506 453058968 /nfs/dbraw/zinc/05/89/68/453058968.db2.gz QRFYENUTEOSHTR-HOTGVXAUSA-N 2 1 339.443 1.491 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646066072 453079753 /nfs/dbraw/zinc/07/97/53/453079753.db2.gz CKCCBGNUDWOKSV-WBVHZDCISA-N 2 1 330.476 1.311 20 0 EDADMP Cn1cc(C[NH2+]C2CC[NH+](CCO)CC2)c(-c2ccc(F)cc2)n1 ZINC000648446352 453090168 /nfs/dbraw/zinc/09/01/68/453090168.db2.gz FRONNHYQXGBZLM-UHFFFAOYSA-N 2 1 332.423 1.773 20 0 EDADMP C[NH+]1CCCN(Cc2cncc(CN3CCC[N@H+](C)CC3)c2)CC1 ZINC000662379950 453090435 /nfs/dbraw/zinc/09/04/35/453090435.db2.gz XRTOTHBKGLVMES-UHFFFAOYSA-N 2 1 331.508 1.357 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCOCc2ccccc2)CC1 ZINC000660163997 453097029 /nfs/dbraw/zinc/09/70/29/453097029.db2.gz DXVKOUOWHRQVES-UHFFFAOYSA-N 2 1 334.460 1.362 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(CO)CCC3)CC2)CC1 ZINC000654998007 453116854 /nfs/dbraw/zinc/11/68/54/453116854.db2.gz WQEMUZWYFBGHNV-UHFFFAOYSA-N 2 1 337.508 1.462 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@H]4OCCC[C@H]34)CC2)CC1 ZINC000655019486 453141893 /nfs/dbraw/zinc/14/18/93/453141893.db2.gz XCCZVZMGERNMIO-GUDVDZBRSA-N 2 1 349.519 1.866 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1C(=O)CN(C)C1=O ZINC000660304766 453196664 /nfs/dbraw/zinc/19/66/64/453196664.db2.gz HEYWYAPWNJNMBC-WBVHZDCISA-N 2 1 344.459 1.381 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1C(=O)CN(C)C1=O ZINC000660304766 453196671 /nfs/dbraw/zinc/19/66/71/453196671.db2.gz HEYWYAPWNJNMBC-WBVHZDCISA-N 2 1 344.459 1.381 20 0 EDADMP [NH3+]C[C@@H](O)CCc1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468339 453205705 /nfs/dbraw/zinc/20/57/05/453205705.db2.gz LGDVIALVGKUMNG-WMZOPIPTSA-N 2 1 329.448 1.052 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334756 453223718 /nfs/dbraw/zinc/22/37/18/453223718.db2.gz QJMINHDJLZSMMM-UXHICEINSA-N 2 1 349.519 1.256 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)CN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334756 453223727 /nfs/dbraw/zinc/22/37/27/453223727.db2.gz QJMINHDJLZSMMM-UXHICEINSA-N 2 1 349.519 1.256 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)CN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334756 453223734 /nfs/dbraw/zinc/22/37/34/453223734.db2.gz QJMINHDJLZSMMM-UXHICEINSA-N 2 1 349.519 1.256 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000648739562 453226618 /nfs/dbraw/zinc/22/66/18/453226618.db2.gz VZUBNLXDMDSKEH-CRAIPNDOSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000648739562 453226626 /nfs/dbraw/zinc/22/66/26/453226626.db2.gz VZUBNLXDMDSKEH-CRAIPNDOSA-N 2 1 331.460 1.475 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000666978307 453299432 /nfs/dbraw/zinc/29/94/32/453299432.db2.gz WJVBGVXJAPNMOI-IRXDYDNUSA-N 2 1 338.496 1.364 20 0 EDADMP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000651192814 453343371 /nfs/dbraw/zinc/34/33/71/453343371.db2.gz BITRMUBNLIDFJM-UHFFFAOYSA-N 2 1 342.528 1.717 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000651192814 453343380 /nfs/dbraw/zinc/34/33/80/453343380.db2.gz BITRMUBNLIDFJM-UHFFFAOYSA-N 2 1 342.528 1.717 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[N@H+](C[C@@H]3CCCO3)CC1)CC2 ZINC000651199005 453354382 /nfs/dbraw/zinc/35/43/82/453354382.db2.gz RQJRWBILPWMJRG-AEFFLSMTSA-N 2 1 346.475 1.467 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[N@@H+](C[C@@H]3CCCO3)CC1)CC2 ZINC000651199005 453354389 /nfs/dbraw/zinc/35/43/89/453354389.db2.gz RQJRWBILPWMJRG-AEFFLSMTSA-N 2 1 346.475 1.467 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000655241829 453359451 /nfs/dbraw/zinc/35/94/51/453359451.db2.gz SDDJIQBBAMOUIM-HRCADAONSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000655241829 453359459 /nfs/dbraw/zinc/35/94/59/453359459.db2.gz SDDJIQBBAMOUIM-HRCADAONSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655247168 453370937 /nfs/dbraw/zinc/37/09/37/453370937.db2.gz VCYGZHMPFWMYHL-BPKGMFCQSA-N 2 1 325.497 1.577 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655247168 453370941 /nfs/dbraw/zinc/37/09/41/453370941.db2.gz VCYGZHMPFWMYHL-BPKGMFCQSA-N 2 1 325.497 1.577 20 0 EDADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000662663410 453377228 /nfs/dbraw/zinc/37/72/28/453377228.db2.gz FJHSHWDIWCLMSH-WMZOPIPTSA-N 2 1 329.444 1.544 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000664756835 453381323 /nfs/dbraw/zinc/38/13/23/453381323.db2.gz XWFUCVMYEBIECX-HOTGVXAUSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCCO1 ZINC000664756835 453381327 /nfs/dbraw/zinc/38/13/27/453381327.db2.gz XWFUCVMYEBIECX-HOTGVXAUSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCCO1 ZINC000664756835 453381332 /nfs/dbraw/zinc/38/13/32/453381332.db2.gz XWFUCVMYEBIECX-HOTGVXAUSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662668216 453382600 /nfs/dbraw/zinc/38/26/00/453382600.db2.gz IWXYOMOOIBLCLH-HZPDHXFCSA-N 2 1 348.495 1.587 20 0 EDADMP COCc1cnc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000667070112 453386460 /nfs/dbraw/zinc/38/64/60/453386460.db2.gz WGEWORIVQKLDTR-LBPRGKRZSA-N 2 1 343.497 1.683 20 0 EDADMP COCc1cnc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000667070112 453386469 /nfs/dbraw/zinc/38/64/69/453386469.db2.gz WGEWORIVQKLDTR-LBPRGKRZSA-N 2 1 343.497 1.683 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)c2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000662673524 453390041 /nfs/dbraw/zinc/39/00/41/453390041.db2.gz MKZHJTJMESLWPW-GASCZTMLSA-N 2 1 331.460 1.561 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667078572 453392352 /nfs/dbraw/zinc/39/23/52/453392352.db2.gz ZGJGDNSLYLFDOB-HOCLYGCPSA-N 2 1 330.432 1.027 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000662704587 453426655 /nfs/dbraw/zinc/42/66/55/453426655.db2.gz FABRXLITFHKXDB-LHHMISFZSA-N 2 1 333.476 1.136 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662711383 453435878 /nfs/dbraw/zinc/43/58/78/453435878.db2.gz AOBZSWSNQMBTOG-OALUTQOASA-N 2 1 345.487 1.721 20 0 EDADMP C[C@H](NC(=O)[C@H]1[NH2+]CCC1(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662744418 453473442 /nfs/dbraw/zinc/47/34/42/453473442.db2.gz GEROGYKYBFTFME-RYQLBKOJSA-N 2 1 345.487 1.780 20 0 EDADMP C[C@H](NC(=O)[C@H]1[NH2+]CCC1(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662744418 453473450 /nfs/dbraw/zinc/47/34/50/453473450.db2.gz GEROGYKYBFTFME-RYQLBKOJSA-N 2 1 345.487 1.780 20 0 EDADMP COc1ccc(COC[C@@H](O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660654662 453490466 /nfs/dbraw/zinc/49/04/66/453490466.db2.gz HRMKZCRVHGOLFG-AZUAARDMSA-N 2 1 348.487 1.990 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662754664 453492571 /nfs/dbraw/zinc/49/25/71/453492571.db2.gz TUIUGMZTQWNWNJ-TVFCKZIOSA-N 2 1 331.460 1.520 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662754664 453492576 /nfs/dbraw/zinc/49/25/76/453492576.db2.gz TUIUGMZTQWNWNJ-TVFCKZIOSA-N 2 1 331.460 1.520 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)[C@H]3C[C@H]([NH3+])C3)CC[N@H+]2C2CC2)c1 ZINC000662800171 453535335 /nfs/dbraw/zinc/53/53/35/453535335.db2.gz ZKQYQMVGEVXDGR-USJZOSNVSA-N 2 1 329.444 1.827 20 0 EDADMP C[C@@H](NC(=O)CC[NH2+]C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000655449018 453537015 /nfs/dbraw/zinc/53/70/15/453537015.db2.gz GLPXDDBLZTWFMA-QAPCUYQASA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H](NC(=O)CC[NH2+]C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000655449018 453537020 /nfs/dbraw/zinc/53/70/20/453537020.db2.gz GLPXDDBLZTWFMA-QAPCUYQASA-N 2 1 331.460 1.534 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662835843 453562061 /nfs/dbraw/zinc/56/20/61/453562061.db2.gz SCAYKHACRJWIAT-ZACQAIPSSA-N 2 1 331.464 1.554 20 0 EDADMP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N1CC[NH+](C2CC2)CC1 ZINC000659035839 453591263 /nfs/dbraw/zinc/59/12/63/453591263.db2.gz NPWDPXMNFVVPRF-QGZVFWFLSA-N 2 1 330.432 1.659 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000660837092 453598537 /nfs/dbraw/zinc/59/85/37/453598537.db2.gz IFROJTYPNGUFDL-WBVHZDCISA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)([NH3+])c1nocc1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662912488 453599860 /nfs/dbraw/zinc/59/98/60/453599860.db2.gz KCDKAAPLSZFZQR-ZIAGYGMSSA-N 2 1 348.447 1.242 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2C[NH2+]CC)C1 ZINC000659102253 453634378 /nfs/dbraw/zinc/63/43/78/453634378.db2.gz BOGAOOPMWCAXJM-HNNXBMFYSA-N 2 1 332.448 1.335 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C3CCC3)C2)C1 ZINC000665284881 453635607 /nfs/dbraw/zinc/63/56/07/453635607.db2.gz XLQUXASYOULEQT-ZWKOTPCHSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C3CCC3)C2)C1 ZINC000665284881 453635612 /nfs/dbraw/zinc/63/56/12/453635612.db2.gz XLQUXASYOULEQT-ZWKOTPCHSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C3CCC3)C2)C1 ZINC000665284881 453635617 /nfs/dbraw/zinc/63/56/17/453635617.db2.gz XLQUXASYOULEQT-ZWKOTPCHSA-N 2 1 337.508 1.581 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)C1 ZINC000660908844 453642477 /nfs/dbraw/zinc/64/24/77/453642477.db2.gz GGLQWFREIFBAKE-GVDBMIGSSA-N 2 1 338.496 1.413 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000660908844 453642482 /nfs/dbraw/zinc/64/24/82/453642482.db2.gz GGLQWFREIFBAKE-GVDBMIGSSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCO1 ZINC000665355175 453663465 /nfs/dbraw/zinc/66/34/65/453663465.db2.gz LUNGOWFZRPSHAF-JKSUJKDBSA-N 2 1 340.512 1.611 20 0 EDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000657182836 453723675 /nfs/dbraw/zinc/72/36/75/453723675.db2.gz KYRIQXKEOUSZPQ-AWEZNQCLSA-N 2 1 325.478 1.880 20 0 EDADMP c1cn(C[C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)nn1 ZINC000661141365 453726919 /nfs/dbraw/zinc/72/69/19/453726919.db2.gz PWDWBWCNBMMKLE-LJQANCHMSA-N 2 1 341.459 1.632 20 0 EDADMP c1cn(C[C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)nn1 ZINC000661141365 453726922 /nfs/dbraw/zinc/72/69/22/453726922.db2.gz PWDWBWCNBMMKLE-LJQANCHMSA-N 2 1 341.459 1.632 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCO1 ZINC000665551462 453743404 /nfs/dbraw/zinc/74/34/04/453743404.db2.gz HYEZSAQFUARWCD-HZPDHXFCSA-N 2 1 340.512 1.611 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000665552779 453744412 /nfs/dbraw/zinc/74/44/12/453744412.db2.gz IMQPRKIJTBYPQZ-INIZCTEOSA-N 2 1 341.544 1.384 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665552779 453744418 /nfs/dbraw/zinc/74/44/18/453744418.db2.gz IMQPRKIJTBYPQZ-INIZCTEOSA-N 2 1 341.544 1.384 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665552779 453744422 /nfs/dbraw/zinc/74/44/22/453744422.db2.gz IMQPRKIJTBYPQZ-INIZCTEOSA-N 2 1 341.544 1.384 20 0 EDADMP CN(CCCN(C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)CC[NH+](C)C ZINC000665552779 453744428 /nfs/dbraw/zinc/74/44/28/453744428.db2.gz IMQPRKIJTBYPQZ-INIZCTEOSA-N 2 1 341.544 1.384 20 0 EDADMP CN(CCCN(C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)CC[NH+](C)C ZINC000665552779 453744430 /nfs/dbraw/zinc/74/44/30/453744430.db2.gz IMQPRKIJTBYPQZ-INIZCTEOSA-N 2 1 341.544 1.384 20 0 EDADMP Cc1ccncc1[C@H](C)[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000679942394 486677841 /nfs/dbraw/zinc/67/78/41/486677841.db2.gz NHDAMZJPFKHIKS-DLBZAZTESA-N 2 1 348.491 1.514 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000676332062 486737688 /nfs/dbraw/zinc/73/76/88/486737688.db2.gz AZRSBALYRHFBKO-YTQUADARSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676332062 486737693 /nfs/dbraw/zinc/73/76/93/486737693.db2.gz AZRSBALYRHFBKO-YTQUADARSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676332062 486737697 /nfs/dbraw/zinc/73/76/97/486737697.db2.gz AZRSBALYRHFBKO-YTQUADARSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676332062 486737701 /nfs/dbraw/zinc/73/77/01/486737701.db2.gz AZRSBALYRHFBKO-YTQUADARSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676332062 486737704 /nfs/dbraw/zinc/73/77/04/486737704.db2.gz AZRSBALYRHFBKO-YTQUADARSA-N 2 1 345.487 1.734 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NC3C4CC5CC(C4)CC3C5)C[C@H]21 ZINC000573848276 486742299 /nfs/dbraw/zinc/74/22/99/486742299.db2.gz XQIKXNXIORXLBX-JULHFWQHSA-N 2 1 331.504 1.987 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NC3C4CC5CC(C4)CC3C5)C[C@H]21 ZINC000573848276 486742306 /nfs/dbraw/zinc/74/23/06/486742306.db2.gz XQIKXNXIORXLBX-JULHFWQHSA-N 2 1 331.504 1.987 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000676402134 486757050 /nfs/dbraw/zinc/75/70/50/486757050.db2.gz MKERRRWJLUYAQV-UHOSZYNNSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000676402134 486757053 /nfs/dbraw/zinc/75/70/53/486757053.db2.gz MKERRRWJLUYAQV-UHOSZYNNSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC000680388027 486765307 /nfs/dbraw/zinc/76/53/07/486765307.db2.gz FVYZGXACHLHMKN-SJORKVTESA-N 2 1 337.508 1.458 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)CC[C@H]3CCCC[NH+]3C)C2)CC1 ZINC000672889236 486832352 /nfs/dbraw/zinc/83/23/52/486832352.db2.gz MKNVSGTWWSZCHZ-DLBZAZTESA-N 2 1 336.524 1.536 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)CC[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000672889236 486832355 /nfs/dbraw/zinc/83/23/55/486832355.db2.gz MKNVSGTWWSZCHZ-DLBZAZTESA-N 2 1 336.524 1.536 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)CC[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000672889236 486832356 /nfs/dbraw/zinc/83/23/56/486832356.db2.gz MKNVSGTWWSZCHZ-DLBZAZTESA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)CC[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000672889236 486832359 /nfs/dbraw/zinc/83/23/59/486832359.db2.gz MKNVSGTWWSZCHZ-DLBZAZTESA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)CC[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000672889236 486832362 /nfs/dbraw/zinc/83/23/62/486832362.db2.gz MKNVSGTWWSZCHZ-DLBZAZTESA-N 2 1 336.524 1.536 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000683919272 486867916 /nfs/dbraw/zinc/86/79/16/486867916.db2.gz CXQRJAZMOQNPMQ-CQSZACIVSA-N 2 1 330.436 1.246 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000680914551 486891958 /nfs/dbraw/zinc/89/19/58/486891958.db2.gz QNZDRPIRJGPIHY-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000680914551 486891962 /nfs/dbraw/zinc/89/19/62/486891962.db2.gz QNZDRPIRJGPIHY-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000680914551 486891965 /nfs/dbraw/zinc/89/19/65/486891965.db2.gz QNZDRPIRJGPIHY-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000684089762 486940500 /nfs/dbraw/zinc/94/05/00/486940500.db2.gz QXQOQISLDKWSLP-WMLDXEAASA-N 2 1 347.459 1.979 20 0 EDADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CNc3ccnn3C2)C1 ZINC000684201668 486983391 /nfs/dbraw/zinc/98/33/91/486983391.db2.gz QILFQCPDLUBCIM-MSOLQXFVSA-N 2 1 340.475 1.774 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CNc3ccnn3C2)C1 ZINC000684201668 486983394 /nfs/dbraw/zinc/98/33/94/486983394.db2.gz QILFQCPDLUBCIM-MSOLQXFVSA-N 2 1 340.475 1.774 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H]2CNc3ccnn3C2)C1 ZINC000684201668 486983399 /nfs/dbraw/zinc/98/33/99/486983399.db2.gz QILFQCPDLUBCIM-MSOLQXFVSA-N 2 1 340.475 1.774 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H]2CNc3ccnn3C2)C1 ZINC000684201668 486983404 /nfs/dbraw/zinc/98/34/04/486983404.db2.gz QILFQCPDLUBCIM-MSOLQXFVSA-N 2 1 340.475 1.774 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000673647984 487076392 /nfs/dbraw/zinc/07/63/92/487076392.db2.gz ZDJYZFGPWVJYFH-SFHVURJKSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000673647984 487076396 /nfs/dbraw/zinc/07/63/96/487076396.db2.gz ZDJYZFGPWVJYFH-SFHVURJKSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)C1CC[NH+](C)CC1 ZINC000673670210 487085259 /nfs/dbraw/zinc/08/52/59/487085259.db2.gz GUFOVVFCTNCECA-QAPCUYQASA-N 2 1 330.476 1.893 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)C1CC[NH+](C)CC1 ZINC000673670210 487085263 /nfs/dbraw/zinc/08/52/63/487085263.db2.gz GUFOVVFCTNCECA-QAPCUYQASA-N 2 1 330.476 1.893 20 0 EDADMP C[C@@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000673670702 487086319 /nfs/dbraw/zinc/08/63/19/487086319.db2.gz NKXWOBORDSKRHW-OXQOHEQNSA-N 2 1 345.487 1.470 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCN[C@@H]1CCCc2cccnc21 ZINC000684954588 487200482 /nfs/dbraw/zinc/20/04/82/487200482.db2.gz AKVRLHGEXYQNDH-SJORKVTESA-N 2 1 330.476 1.991 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1-n1cncn1 ZINC000685458435 487278038 /nfs/dbraw/zinc/27/80/38/487278038.db2.gz MZOGOAZTRICRII-UHFFFAOYSA-N 2 1 328.464 1.337 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1-n1cncn1 ZINC000678338476 487292466 /nfs/dbraw/zinc/29/24/66/487292466.db2.gz AWWNFAJJKVABIW-NEWSRXKRSA-N 2 1 341.459 1.951 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CCSC1 ZINC000535266784 487353380 /nfs/dbraw/zinc/35/33/80/487353380.db2.gz YPCPDABOFPEETD-WMZOPIPTSA-N 2 1 348.516 1.910 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CCSC1 ZINC000535266784 487353385 /nfs/dbraw/zinc/35/33/85/487353385.db2.gz YPCPDABOFPEETD-WMZOPIPTSA-N 2 1 348.516 1.910 20 0 EDADMP C[C@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000682419432 487361127 /nfs/dbraw/zinc/36/11/27/487361127.db2.gz VWUUFGIBPQQNAK-YJBOKZPZSA-N 2 1 348.491 1.309 20 0 EDADMP C[C@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000682419432 487361131 /nfs/dbraw/zinc/36/11/31/487361131.db2.gz VWUUFGIBPQQNAK-YJBOKZPZSA-N 2 1 348.491 1.309 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)CC1 ZINC000675250008 487393504 /nfs/dbraw/zinc/39/35/04/487393504.db2.gz DTBLCZGKJDVHKM-QGZVFWFLSA-N 2 1 333.480 1.466 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000682661275 487402512 /nfs/dbraw/zinc/40/25/12/487402512.db2.gz OQVBRBOCHBICBC-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000682661275 487402513 /nfs/dbraw/zinc/40/25/13/487402513.db2.gz OQVBRBOCHBICBC-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]([NH2+][C@]1(C)CCO[C@H]1C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000683146896 487455030 /nfs/dbraw/zinc/45/50/30/487455030.db2.gz QUCUOGZLBXEUCG-JSFADZTLSA-N 2 1 345.487 1.923 20 0 EDADMP COCC[N@H+](C)CCNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000679726680 487461801 /nfs/dbraw/zinc/46/18/01/487461801.db2.gz VGQKRYUWOKMDPR-UHFFFAOYSA-N 2 1 349.479 1.368 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000679726680 487461802 /nfs/dbraw/zinc/46/18/02/487461802.db2.gz VGQKRYUWOKMDPR-UHFFFAOYSA-N 2 1 349.479 1.368 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669528945 485503849 /nfs/dbraw/zinc/50/38/49/485503849.db2.gz VICJIQMCGCKGHS-CVYDXHPNSA-N 2 1 334.508 1.890 20 0 EDADMP [NH3+]C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000669570403 485589601 /nfs/dbraw/zinc/58/96/01/485589601.db2.gz GMPPMFOKTHLZST-ROUUACIJSA-N 2 1 346.475 1.268 20 0 EDADMP O=C(c1cccn1C1CC[NH2+]CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000327331773 485861466 /nfs/dbraw/zinc/86/14/66/485861466.db2.gz GSFOBBYNOZEZEV-KRWDZBQOSA-N 2 1 346.475 1.349 20 0 EDADMP [NH3+]C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000669420472 486141377 /nfs/dbraw/zinc/14/13/77/486141377.db2.gz MSBZZMUUCDXOFU-ROUUACIJSA-N 2 1 330.476 1.889 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000132950550 491217769 /nfs/dbraw/zinc/21/77/69/491217769.db2.gz LTYJXWCOASZFCO-JYJNAYRXSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000132950550 491217770 /nfs/dbraw/zinc/21/77/70/491217770.db2.gz LTYJXWCOASZFCO-JYJNAYRXSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000133001176 491218824 /nfs/dbraw/zinc/21/88/24/491218824.db2.gz GZXKTKRIKWIJFR-NVXWUHKLSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000133001176 491218827 /nfs/dbraw/zinc/21/88/27/491218827.db2.gz GZXKTKRIKWIJFR-NVXWUHKLSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000133001176 491218829 /nfs/dbraw/zinc/21/88/29/491218829.db2.gz GZXKTKRIKWIJFR-NVXWUHKLSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000133001176 491218833 /nfs/dbraw/zinc/21/88/33/491218833.db2.gz GZXKTKRIKWIJFR-NVXWUHKLSA-N 2 1 340.512 1.659 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000073326501 491008106 /nfs/dbraw/zinc/00/81/06/491008106.db2.gz QQWDBQJUOHJPJX-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000073326501 491008108 /nfs/dbraw/zinc/00/81/08/491008108.db2.gz QQWDBQJUOHJPJX-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000174604530 529010093 /nfs/dbraw/zinc/01/00/93/529010093.db2.gz LVBPVUPBQUWQDO-BDXSIMOUSA-N 2 1 338.540 1.636 20 0 EDADMP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261661942 534925055 /nfs/dbraw/zinc/92/50/55/534925055.db2.gz KTMFOTOYZKYFKR-HNNXBMFYSA-N 2 1 333.432 1.055 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000248784372 534953602 /nfs/dbraw/zinc/95/36/02/534953602.db2.gz XDWQPKUDPHOTDR-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000248784372 534953605 /nfs/dbraw/zinc/95/36/05/534953605.db2.gz XDWQPKUDPHOTDR-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000248784372 534953609 /nfs/dbraw/zinc/95/36/09/534953609.db2.gz XDWQPKUDPHOTDR-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346241718 535209070 /nfs/dbraw/zinc/20/90/70/535209070.db2.gz QTJOIFSRTGLTEZ-VVLHAWIVSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346241718 535209075 /nfs/dbraw/zinc/20/90/75/535209075.db2.gz QTJOIFSRTGLTEZ-VVLHAWIVSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346241718 535209079 /nfs/dbraw/zinc/20/90/79/535209079.db2.gz QTJOIFSRTGLTEZ-VVLHAWIVSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346241718 535209086 /nfs/dbraw/zinc/20/90/86/535209086.db2.gz QTJOIFSRTGLTEZ-VVLHAWIVSA-N 2 1 325.497 1.578 20 0 EDADMP CC[C@@H](C)[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000068450520 535548123 /nfs/dbraw/zinc/54/81/23/535548123.db2.gz PNXSLXGPDAVOEK-MRXNPFEDSA-N 2 1 325.497 1.868 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000068450520 535548126 /nfs/dbraw/zinc/54/81/26/535548126.db2.gz PNXSLXGPDAVOEK-MRXNPFEDSA-N 2 1 325.497 1.868 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000340049677 535563907 /nfs/dbraw/zinc/56/39/07/535563907.db2.gz VJUDQCOAPAAYBE-INIZCTEOSA-N 2 1 327.494 1.551 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COc1cccnc1 ZINC000263955313 535593841 /nfs/dbraw/zinc/59/38/41/535593841.db2.gz MLRAPPQXGLIULR-INIZCTEOSA-N 2 1 334.464 1.335 20 0 EDADMP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000072848372 535755241 /nfs/dbraw/zinc/75/52/41/535755241.db2.gz IROZUCXBHIJPJA-SFHVURJKSA-N 2 1 346.475 1.488 20 0 EDADMP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000072848372 535755246 /nfs/dbraw/zinc/75/52/46/535755246.db2.gz IROZUCXBHIJPJA-SFHVURJKSA-N 2 1 346.475 1.488 20 0 EDADMP C[NH+](C)Cc1cnc(C[NH2+]CCCNC(=O)c2cccc(O)c2)s1 ZINC000352781613 536057214 /nfs/dbraw/zinc/05/72/14/536057214.db2.gz SXGMEUQJNWNICI-UHFFFAOYSA-N 2 1 348.472 1.820 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CC(F)F ZINC000345703558 536433812 /nfs/dbraw/zinc/43/38/12/536433812.db2.gz DFWAMOMSAOXDIL-GJZGRUSLSA-N 2 1 325.403 1.949 20 0 EDADMP COC[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261540653 536656299 /nfs/dbraw/zinc/65/62/99/536656299.db2.gz AIEGXGWLNUEYEO-MJGOQNOKSA-N 2 1 331.460 1.393 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000347766557 536774474 /nfs/dbraw/zinc/77/44/74/536774474.db2.gz CAIYNQNBPVEBIA-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)[N@H+](C)C1 ZINC000345858631 536775476 /nfs/dbraw/zinc/77/54/76/536775476.db2.gz BJFULGXWXIAAQZ-RRFJBIMHSA-N 2 1 338.452 1.243 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)[N@@H+](C)C1 ZINC000345858631 536775481 /nfs/dbraw/zinc/77/54/81/536775481.db2.gz BJFULGXWXIAAQZ-RRFJBIMHSA-N 2 1 338.452 1.243 20 0 EDADMP COCC1(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000262415690 536811641 /nfs/dbraw/zinc/81/16/41/536811641.db2.gz TYAUKYUOASRRND-UHFFFAOYSA-N 2 1 331.460 1.177 20 0 EDADMP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000742794003 579462780 /nfs/dbraw/zinc/46/27/80/579462780.db2.gz SIKHTNARUVXETR-GOSISDBHSA-N 2 1 331.460 1.442 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000742794003 579462781 /nfs/dbraw/zinc/46/27/81/579462781.db2.gz SIKHTNARUVXETR-GOSISDBHSA-N 2 1 331.460 1.442 20 0 EDADMP CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[N@H+]1C[C@@H](C)O ZINC000742780190 579462051 /nfs/dbraw/zinc/46/20/51/579462051.db2.gz IMZLUULSDBZXEA-IAGOWNOFSA-N 2 1 325.497 1.556 20 0 EDADMP COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000726692801 578354682 /nfs/dbraw/zinc/35/46/82/578354682.db2.gz IYCLOFPKHDWOPQ-SJLPKXTDSA-N 2 1 334.460 1.754 20 0 EDADMP COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000726692801 578354683 /nfs/dbraw/zinc/35/46/83/578354683.db2.gz IYCLOFPKHDWOPQ-SJLPKXTDSA-N 2 1 334.460 1.754 20 0 EDADMP CCc1ccc(C[NH+]2CCN(C[C@H](O)C[NH+]3CCCC3)CC2)s1 ZINC000738426412 578527178 /nfs/dbraw/zinc/52/71/78/578527178.db2.gz KUTLIIRZOCDCFD-MRXNPFEDSA-N 2 1 337.533 1.885 20 0 EDADMP C[C@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@H+]1CC1(O)CCCCC1 ZINC000729930960 578602940 /nfs/dbraw/zinc/60/29/40/578602940.db2.gz SMSROMOIDMCGBZ-IRXDYDNUSA-N 2 1 325.497 1.018 20 0 EDADMP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CC1(O)CCCCC1 ZINC000729930960 578602943 /nfs/dbraw/zinc/60/29/43/578602943.db2.gz SMSROMOIDMCGBZ-IRXDYDNUSA-N 2 1 325.497 1.018 20 0 EDADMP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CC1(O)CCCCC1 ZINC000729930960 578602945 /nfs/dbraw/zinc/60/29/45/578602945.db2.gz SMSROMOIDMCGBZ-IRXDYDNUSA-N 2 1 325.497 1.018 20 0 EDADMP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CC1(O)CCCCC1 ZINC000729930960 578602947 /nfs/dbraw/zinc/60/29/47/578602947.db2.gz SMSROMOIDMCGBZ-IRXDYDNUSA-N 2 1 325.497 1.018 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCC(=O)C(C)(C)C)CC2)CC1 ZINC000753748747 578644016 /nfs/dbraw/zinc/64/40/16/578644016.db2.gz SREKQJIZGIHBRK-UHFFFAOYSA-N 2 1 337.508 1.868 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734275677 578804364 /nfs/dbraw/zinc/80/43/64/578804364.db2.gz AZJCVMGQTTWGEF-DOTOQJQBSA-N 2 1 340.512 1.659 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=S)NCC[NH+](C)C)[C@@H](C)C1 ZINC000734386761 578812627 /nfs/dbraw/zinc/81/26/27/578812627.db2.gz VEQGRKNYQMZBOK-GJZGRUSLSA-N 2 1 330.542 1.149 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)NCc2ccc(N3CCOCC3)nc2)C1 ZINC000744452661 579511208 /nfs/dbraw/zinc/51/12/08/579511208.db2.gz NRVOCFUBJZCOMA-HNNXBMFYSA-N 2 1 347.463 1.059 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000747556052 579648815 /nfs/dbraw/zinc/64/88/15/579648815.db2.gz MQBXDBMVBIWIRH-CABCVRRESA-N 2 1 336.484 1.687 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000749304700 579721027 /nfs/dbraw/zinc/72/10/27/579721027.db2.gz LCOQWMHLQFSZJT-IBGZPJMESA-N 2 1 345.487 1.680 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000749304700 579721028 /nfs/dbraw/zinc/72/10/28/579721028.db2.gz LCOQWMHLQFSZJT-IBGZPJMESA-N 2 1 345.487 1.680 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CSCCS2)CC1 ZINC000750992798 579790249 /nfs/dbraw/zinc/79/02/49/579790249.db2.gz AZSRGENVHOISED-AWEZNQCLSA-N 2 1 338.502 1.621 20 0 EDADMP O=CN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000774197788 580356464 /nfs/dbraw/zinc/35/64/64/580356464.db2.gz KSHWWBHLOOBWOK-IEBWSBKVSA-N 2 1 331.460 1.080 20 0 EDADMP O=CN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000774197788 580356465 /nfs/dbraw/zinc/35/64/65/580356465.db2.gz KSHWWBHLOOBWOK-IEBWSBKVSA-N 2 1 331.460 1.080 20 0 EDADMP COC(=O)C(C)(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000775553490 580393501 /nfs/dbraw/zinc/39/35/01/580393501.db2.gz PFDCNTMVEJALRU-DLBZAZTESA-N 2 1 334.460 1.973 20 0 EDADMP Cc1cc(C)cc([C@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000779604306 580491051 /nfs/dbraw/zinc/49/10/51/580491051.db2.gz VTPIHEAHOYGIHL-LJQANCHMSA-N 2 1 348.487 1.496 20 0 EDADMP O[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1cccc(F)c1 ZINC000779605797 580491072 /nfs/dbraw/zinc/49/10/72/580491072.db2.gz GXENZOATATZWIN-KRWDZBQOSA-N 2 1 338.423 1.018 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000783783571 580606235 /nfs/dbraw/zinc/60/62/35/580606235.db2.gz MRSAZEHKTNWOFQ-HZPDHXFCSA-N 2 1 339.480 1.347 20 0 EDADMP C[C@]1(CNC(=O)CC[NH+]2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000799014965 581014000 /nfs/dbraw/zinc/01/40/00/581014000.db2.gz NAQCQBMCHCZARC-HXUWFJFHSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@]1(CNC(=O)CC[NH+]2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799014965 581014001 /nfs/dbraw/zinc/01/40/01/581014001.db2.gz NAQCQBMCHCZARC-HXUWFJFHSA-N 2 1 345.487 1.737 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]CC2CCC3(CC2)OCCO3)CC1(C)C ZINC000799736392 581035686 /nfs/dbraw/zinc/03/56/86/581035686.db2.gz PZXMKHNFDMGCIN-UHFFFAOYSA-N 2 1 325.497 1.535 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000891816031 590634200 /nfs/dbraw/zinc/63/42/00/590634200.db2.gz JLRBZZFKADCJBM-MRXNPFEDSA-N 2 1 348.491 1.911 20 0 EDADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)C2 ZINC000891858177 590659055 /nfs/dbraw/zinc/65/90/55/590659055.db2.gz LKDWZPHAEOKSEX-CYBMUJFWSA-N 2 1 349.504 1.686 20 0 EDADMP C[C@@H](CNC(=O)N1CCN(C)CC[N@@H+](C)CC1)[NH+]1CCCC[C@H]1C ZINC000891890741 590674515 /nfs/dbraw/zinc/67/45/15/590674515.db2.gz XRXGQYZKEZDSSN-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H](CNC(=O)N1CCN(C)CC[NH+](C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000891890741 590674520 /nfs/dbraw/zinc/67/45/20/590674520.db2.gz XRXGQYZKEZDSSN-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H](CNC(=O)N1CCN(C)CC[NH+](C)CC1)[N@H+]1CCCC[C@H]1C ZINC000891890741 590674526 /nfs/dbraw/zinc/67/45/26/590674526.db2.gz XRXGQYZKEZDSSN-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)C[C@H]2C1 ZINC000893395226 590837143 /nfs/dbraw/zinc/83/71/43/590837143.db2.gz LYGMWEKNURZRAP-IYBDPMFKSA-N 2 1 334.508 1.987 20 0 EDADMP [NH3+]CC12CCC(CC1)N2C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000892455695 591033170 /nfs/dbraw/zinc/03/31/70/591033170.db2.gz LJEAQZSNQNVXGV-UHFFFAOYSA-N 2 1 328.460 1.880 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892566154 591074912 /nfs/dbraw/zinc/07/49/12/591074912.db2.gz XYOHCMLTJAVULT-MAEOIBBWSA-N 2 1 330.476 1.950 20 0 EDADMP [NH3+][C@H]1C[C@H](CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000892570884 591077764 /nfs/dbraw/zinc/07/77/64/591077764.db2.gz SMPBCXFPWWBTQL-DCIVCYTQSA-N 2 1 328.460 1.497 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891536186 591113686 /nfs/dbraw/zinc/11/36/86/591113686.db2.gz POEWEZAKEMGELE-KSSFIOAISA-N 2 1 341.459 1.841 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)[C@H](C)C1 ZINC000891563878 591127257 /nfs/dbraw/zinc/12/72/57/591127257.db2.gz JLENDXMETQGNCM-QXSJWSMHSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCC(C)(C)[NH3+] ZINC000891566969 591129769 /nfs/dbraw/zinc/12/97/69/591129769.db2.gz FMQUCLVNHFJZHM-OAHLLOKOSA-N 2 1 348.495 1.019 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891597735 591143125 /nfs/dbraw/zinc/14/31/25/591143125.db2.gz SPIKWYGCVOVFAC-SFHVURJKSA-N 2 1 341.459 1.985 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)C[N@H+]1C1CC1 ZINC000891659337 591172172 /nfs/dbraw/zinc/17/21/72/591172172.db2.gz DTBOQEXZGOEGAU-PVAVHDDUSA-N 2 1 330.476 1.871 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)C2)C1 ZINC000892795303 591182307 /nfs/dbraw/zinc/18/23/07/591182307.db2.gz UQONPISHGJFEJX-HKUYNNGSSA-N 2 1 328.460 1.438 20 0 EDADMP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000891684616 591183409 /nfs/dbraw/zinc/18/34/09/591183409.db2.gz DONNOLVHOSTHJB-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000891684497 591183628 /nfs/dbraw/zinc/18/36/28/591183628.db2.gz BURWOJYDPASVBI-QBPKDAKJSA-N 2 1 338.496 1.447 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000894174381 591217152 /nfs/dbraw/zinc/21/71/52/591217152.db2.gz SFJMPUKMICCIKQ-UONOGXRCSA-N 2 1 333.423 1.048 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895606792 591232856 /nfs/dbraw/zinc/23/28/56/591232856.db2.gz QIAVFKXWAZDORB-KCYAQADSSA-N 2 1 338.496 1.077 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895606792 591232859 /nfs/dbraw/zinc/23/28/59/591232859.db2.gz QIAVFKXWAZDORB-KCYAQADSSA-N 2 1 338.496 1.077 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895606792 591232863 /nfs/dbraw/zinc/23/28/63/591232863.db2.gz QIAVFKXWAZDORB-KCYAQADSSA-N 2 1 338.496 1.077 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895606792 591232865 /nfs/dbraw/zinc/23/28/65/591232865.db2.gz QIAVFKXWAZDORB-KCYAQADSSA-N 2 1 338.496 1.077 20 0 EDADMP COC(=O)[C@@H]1[C@@H](C[NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(F)F ZINC000894238716 591240782 /nfs/dbraw/zinc/24/07/82/591240782.db2.gz VMKPEFXCQHWNPO-OLZOCXBDSA-N 2 1 332.391 1.275 20 0 EDADMP COC(=O)c1cc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)n(C)c1C ZINC000895646129 591241021 /nfs/dbraw/zinc/24/10/21/591241021.db2.gz HRPPKUQVMYHQNG-UHFFFAOYSA-N 2 1 337.464 1.445 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCOC12CCCC2 ZINC000895666679 591246653 /nfs/dbraw/zinc/24/66/53/591246653.db2.gz QMWVDXNJTSJDLI-JKSUJKDBSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCOC12CCCC2 ZINC000895666679 591246654 /nfs/dbraw/zinc/24/66/54/591246654.db2.gz QMWVDXNJTSJDLI-JKSUJKDBSA-N 2 1 340.512 1.659 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895692384 591250891 /nfs/dbraw/zinc/25/08/91/591250891.db2.gz QPIPFKJCIMWLRY-IRXDYDNUSA-N 2 1 344.471 1.910 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc(C(C)=O)c1 ZINC000896041814 591329500 /nfs/dbraw/zinc/32/95/00/591329500.db2.gz BHNNUVBRUKKYHH-GOSISDBHSA-N 2 1 346.475 1.772 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000896623333 591556806 /nfs/dbraw/zinc/55/68/06/591556806.db2.gz CMXLNIABHGNBLW-MRXNPFEDSA-N 3 1 326.529 1.591 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCN1C(C)(C)C ZINC000896623333 591556810 /nfs/dbraw/zinc/55/68/10/591556810.db2.gz CMXLNIABHGNBLW-MRXNPFEDSA-N 2 1 326.529 1.591 20 0 EDADMP Cc1nc2ccccn2c1CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000898961611 591618190 /nfs/dbraw/zinc/61/81/90/591618190.db2.gz HTHWXASPJGZHSD-HNNXBMFYSA-N 2 1 345.447 1.289 20 0 EDADMP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000895250706 591680997 /nfs/dbraw/zinc/68/09/97/591680997.db2.gz NXIWMHSYULSTEA-VPAKFMSCSA-N 2 1 344.455 1.960 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000899147790 591708153 /nfs/dbraw/zinc/70/81/53/591708153.db2.gz BBKGKWMEKZJIFM-SJORKVTESA-N 2 1 346.475 1.271 20 0 EDADMP CC(C)(C)N1CC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000899147790 591708155 /nfs/dbraw/zinc/70/81/55/591708155.db2.gz BBKGKWMEKZJIFM-SJORKVTESA-N 2 1 346.475 1.271 20 0 EDADMP COC(=O)C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000897889650 591708307 /nfs/dbraw/zinc/70/83/07/591708307.db2.gz WVHIJGUECKGIST-OAHLLOKOSA-N 2 1 349.479 1.296 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)[C@@H]1c1ccccc1 ZINC000899154876 591710454 /nfs/dbraw/zinc/71/04/54/591710454.db2.gz YYOIMUMRDDHVBB-BZSNNMDCSA-N 2 1 345.487 1.641 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)[C@@H]1c1ccccc1 ZINC000899154876 591710457 /nfs/dbraw/zinc/71/04/57/591710457.db2.gz YYOIMUMRDDHVBB-BZSNNMDCSA-N 2 1 345.487 1.641 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)[C@@H]1c1ccccc1 ZINC000899154876 591710460 /nfs/dbraw/zinc/71/04/60/591710460.db2.gz YYOIMUMRDDHVBB-BZSNNMDCSA-N 2 1 345.487 1.641 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[C@H]1OC ZINC000895339618 591719248 /nfs/dbraw/zinc/71/92/48/591719248.db2.gz UMPOGCBIHDGXNV-NCXUSEDFSA-N 2 1 334.460 1.535 20 0 EDADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000897055808 591725498 /nfs/dbraw/zinc/72/54/98/591725498.db2.gz CZJYKVSGQCQAMM-AOIWGVFYSA-N 2 1 335.492 1.356 20 0 EDADMP CC1(C)[C@H](NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000898207304 591817784 /nfs/dbraw/zinc/81/77/84/591817784.db2.gz IEBKPCXJVWRSJR-BRWVUGGUSA-N 2 1 335.492 1.619 20 0 EDADMP CC1(C)[C@H](NC(=O)[C@H]2CC[N@H+]2C2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000898207304 591817787 /nfs/dbraw/zinc/81/77/87/591817787.db2.gz IEBKPCXJVWRSJR-BRWVUGGUSA-N 2 1 335.492 1.619 20 0 EDADMP CCc1ccc([C@@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000900012853 591862719 /nfs/dbraw/zinc/86/27/19/591862719.db2.gz DEULKTAANYWKEQ-UYAOXDASSA-N 2 1 347.503 1.815 20 0 EDADMP C[C@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000900140978 591915311 /nfs/dbraw/zinc/91/53/11/591915311.db2.gz LXHXPMHKGCUYPO-OXQOHEQNSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](CNC(=O)C[C@]1(O)CCC[NH+](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000900140978 591915312 /nfs/dbraw/zinc/91/53/12/591915312.db2.gz LXHXPMHKGCUYPO-OXQOHEQNSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](CNC(=O)C[C@]1(O)CCC[NH+](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000900140978 591915313 /nfs/dbraw/zinc/91/53/13/591915313.db2.gz LXHXPMHKGCUYPO-OXQOHEQNSA-N 2 1 345.487 1.396 20 0 EDADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900174093 591938302 /nfs/dbraw/zinc/93/83/02/591938302.db2.gz HDQGNPVTBKSFPJ-SFHVURJKSA-N 2 1 335.448 1.542 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cn2cc(OC)c(=O)cc2C)C1 ZINC000902172152 591938551 /nfs/dbraw/zinc/93/85/51/591938551.db2.gz VRZDYKQAWMKHNO-MRXNPFEDSA-N 2 1 337.464 1.556 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902195647 591942436 /nfs/dbraw/zinc/94/24/36/591942436.db2.gz MNCWDXWMCOUHFD-VRCAPQLRSA-N 2 1 345.487 1.781 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900214572 591945134 /nfs/dbraw/zinc/94/51/34/591945134.db2.gz FHEBRACNDQCRJM-WMZOPIPTSA-N 2 1 325.497 1.604 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900214572 591945137 /nfs/dbraw/zinc/94/51/37/591945137.db2.gz FHEBRACNDQCRJM-WMZOPIPTSA-N 2 1 325.497 1.604 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900214572 591945140 /nfs/dbraw/zinc/94/51/40/591945140.db2.gz FHEBRACNDQCRJM-WMZOPIPTSA-N 2 1 325.497 1.604 20 0 EDADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cc1 ZINC000900228510 591956606 /nfs/dbraw/zinc/95/66/06/591956606.db2.gz NFKNUMWBLVCNRK-APWZRJJASA-N 2 1 349.475 1.801 20 0 EDADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)cc1 ZINC000900228510 591956607 /nfs/dbraw/zinc/95/66/07/591956607.db2.gz NFKNUMWBLVCNRK-APWZRJJASA-N 2 1 349.475 1.801 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000900257373 591962676 /nfs/dbraw/zinc/96/26/76/591962676.db2.gz YMFLJFVYHICZGI-UHFFFAOYSA-N 2 1 341.415 1.625 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902347343 591978053 /nfs/dbraw/zinc/97/80/53/591978053.db2.gz NYYITOYCEBMCCH-GOSISDBHSA-N 2 1 346.519 1.846 20 0 EDADMP C[NH+]1CCC2(CCN2C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000899910401 591979539 /nfs/dbraw/zinc/97/95/39/591979539.db2.gz JXNQFVRXSKRDBV-HXUWFJFHSA-N 2 1 329.488 1.794 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+]2C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000899910401 591979543 /nfs/dbraw/zinc/97/95/43/591979543.db2.gz JXNQFVRXSKRDBV-HXUWFJFHSA-N 2 1 329.488 1.794 20 0 EDADMP C[NH+]1CCC2(CC[N@H+]2C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000899910401 591979547 /nfs/dbraw/zinc/97/95/47/591979547.db2.gz JXNQFVRXSKRDBV-HXUWFJFHSA-N 2 1 329.488 1.794 20 0 EDADMP Brc1cnc2c(c1)nccc2N1CC[NH2+]CC[NH2+]CC1 ZINC000900368541 591998770 /nfs/dbraw/zinc/99/87/70/591998770.db2.gz GOILJOYMABTPMK-UHFFFAOYSA-N 2 1 336.237 1.392 20 0 EDADMP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000900412358 592011389 /nfs/dbraw/zinc/01/13/89/592011389.db2.gz RVJNJKBYUXXFAN-DAWZGUTISA-N 2 1 335.492 1.574 20 0 EDADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900530696 592048516 /nfs/dbraw/zinc/04/85/16/592048516.db2.gz ZULBVZCWALURBG-HKUYNNGSSA-N 2 1 333.476 1.552 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000900539696 592051370 /nfs/dbraw/zinc/05/13/70/592051370.db2.gz CYXAHZHGZSKGJJ-UHFFFAOYSA-N 2 1 338.540 1.735 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000900539696 592051371 /nfs/dbraw/zinc/05/13/71/592051371.db2.gz CYXAHZHGZSKGJJ-UHFFFAOYSA-N 2 1 338.540 1.735 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000900539696 592051372 /nfs/dbraw/zinc/05/13/72/592051372.db2.gz CYXAHZHGZSKGJJ-UHFFFAOYSA-N 2 1 338.540 1.735 20 0 EDADMP [NH2+]=C(NOCc1cc(Br)no1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902807273 592063400 /nfs/dbraw/zinc/06/34/00/592063400.db2.gz DCUHJKZXXZKSKH-WCBMZHEXSA-N 2 1 345.197 1.299 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1COc2ccccc2C1 ZINC000902790176 592064111 /nfs/dbraw/zinc/06/41/11/592064111.db2.gz NBWGFOIBEGDQSG-DOTOQJQBSA-N 2 1 331.460 1.380 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1COc2ccccc2C1 ZINC000902790178 592064176 /nfs/dbraw/zinc/06/41/76/592064176.db2.gz NBWGFOIBEGDQSG-RDJZCZTQSA-N 2 1 331.460 1.380 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)CC1 ZINC000900599169 592064523 /nfs/dbraw/zinc/06/45/23/592064523.db2.gz QHFSTOPYYGFXKH-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)CC1 ZINC000900599169 592064524 /nfs/dbraw/zinc/06/45/24/592064524.db2.gz QHFSTOPYYGFXKH-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)CC1 ZINC000900599169 592064526 /nfs/dbraw/zinc/06/45/26/592064526.db2.gz QHFSTOPYYGFXKH-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900602246 592065900 /nfs/dbraw/zinc/06/59/00/592065900.db2.gz IKNMJKCCJNEQEC-OAHLLOKOSA-N 2 1 344.463 1.681 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000900626606 592075372 /nfs/dbraw/zinc/07/53/72/592075372.db2.gz HNHFTTQIZOTYFX-SFHVURJKSA-N 2 1 336.524 1.393 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000900626606 592075375 /nfs/dbraw/zinc/07/53/75/592075375.db2.gz HNHFTTQIZOTYFX-SFHVURJKSA-N 2 1 336.524 1.393 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000900626606 592075377 /nfs/dbraw/zinc/07/53/77/592075377.db2.gz HNHFTTQIZOTYFX-SFHVURJKSA-N 2 1 336.524 1.393 20 0 EDADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900654806 592081970 /nfs/dbraw/zinc/08/19/70/592081970.db2.gz AFINCHWECXSVGB-IIDMSEBBSA-N 2 1 325.497 1.458 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900654806 592081973 /nfs/dbraw/zinc/08/19/73/592081973.db2.gz AFINCHWECXSVGB-IIDMSEBBSA-N 2 1 325.497 1.458 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900654806 592081976 /nfs/dbraw/zinc/08/19/76/592081976.db2.gz AFINCHWECXSVGB-IIDMSEBBSA-N 2 1 325.497 1.458 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900654806 592081979 /nfs/dbraw/zinc/08/19/79/592081979.db2.gz AFINCHWECXSVGB-IIDMSEBBSA-N 2 1 325.497 1.458 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900656315 592082416 /nfs/dbraw/zinc/08/24/16/592082416.db2.gz JGDCCNSEWRNDCA-APWZRJJASA-N 2 1 339.524 1.850 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900656315 592082419 /nfs/dbraw/zinc/08/24/19/592082419.db2.gz JGDCCNSEWRNDCA-APWZRJJASA-N 2 1 339.524 1.850 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900656315 592082422 /nfs/dbraw/zinc/08/24/22/592082422.db2.gz JGDCCNSEWRNDCA-APWZRJJASA-N 2 1 339.524 1.850 20 0 EDADMP CC[C@H](CN1CCOCC1)NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000902939925 592088092 /nfs/dbraw/zinc/08/80/92/592088092.db2.gz KXPRSOAMCJRZRV-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000900686271 592094332 /nfs/dbraw/zinc/09/43/32/592094332.db2.gz DSGLQLNHNCWCJR-WMZOPIPTSA-N 2 1 325.497 1.412 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900686271 592094335 /nfs/dbraw/zinc/09/43/35/592094335.db2.gz DSGLQLNHNCWCJR-WMZOPIPTSA-N 2 1 325.497 1.412 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900686271 592094337 /nfs/dbraw/zinc/09/43/37/592094337.db2.gz DSGLQLNHNCWCJR-WMZOPIPTSA-N 2 1 325.497 1.412 20 0 EDADMP O=C1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@H]([C@@H]2CCCO2)N1 ZINC000903222320 592141470 /nfs/dbraw/zinc/14/14/70/592141470.db2.gz XYWTVGRTZINJNX-YEEMPNMZSA-N 2 1 333.476 1.560 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)[C@H](C)C1 ZINC000903240734 592142813 /nfs/dbraw/zinc/14/28/13/592142813.db2.gz AWYVZVXPOHSOBA-ZYHUDNBSSA-N 2 1 348.369 1.331 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)[C@H](C)C1 ZINC000903240734 592142815 /nfs/dbraw/zinc/14/28/15/592142815.db2.gz AWYVZVXPOHSOBA-ZYHUDNBSSA-N 2 1 348.369 1.331 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900867706 592162133 /nfs/dbraw/zinc/16/21/33/592162133.db2.gz CBCUVNOUVYZJPD-LMMKCTJWSA-N 2 1 331.460 1.174 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900867706 592162134 /nfs/dbraw/zinc/16/21/34/592162134.db2.gz CBCUVNOUVYZJPD-LMMKCTJWSA-N 2 1 331.460 1.174 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900867706 592162135 /nfs/dbraw/zinc/16/21/35/592162135.db2.gz CBCUVNOUVYZJPD-LMMKCTJWSA-N 2 1 331.460 1.174 20 0 EDADMP C[C@H](CCNC(=O)C[C@@]1(O)CCC[NH+](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000900916999 592171043 /nfs/dbraw/zinc/17/10/43/592171043.db2.gz AMQVGPFPQYOYQE-XLIONFOSSA-N 2 1 347.503 1.860 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCOCCN1C(=O)c2ccccc2C1=O ZINC000903454768 592174155 /nfs/dbraw/zinc/17/41/55/592174155.db2.gz IYMUBYGLFBRMTI-KEYYUXOJSA-N 2 1 345.443 1.275 20 0 EDADMP COCCOc1ccccc1N1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903456045 592174336 /nfs/dbraw/zinc/17/43/36/592174336.db2.gz CZADGJVBQDNOFY-SJORKVTESA-N 2 1 333.476 1.689 20 0 EDADMP C(c1nc(C2CCC2)no1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506442 592182463 /nfs/dbraw/zinc/18/24/63/592182463.db2.gz UUSWTPVPEHTCNO-IYBDPMFKSA-N 2 1 331.464 1.738 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)Nc1cccc(C)c1C)C2 ZINC000903491028 592184592 /nfs/dbraw/zinc/18/45/92/592184592.db2.gz ROCRONSYTLHBII-KHYOSLBOSA-N 2 1 345.443 1.454 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccn(-c3ccccc3)n1)C2 ZINC000903491942 592185019 /nfs/dbraw/zinc/18/50/19/592185019.db2.gz HATBMAJDOGVDRH-KHYOSLBOSA-N 2 1 340.427 1.585 20 0 EDADMP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496847 592188469 /nfs/dbraw/zinc/18/84/69/592188469.db2.gz HCPWTFKCJFBEBJ-CHWSQXEVSA-N 2 1 339.867 1.882 20 0 EDADMP Cc1ccccc1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903512703 592191716 /nfs/dbraw/zinc/19/17/16/592191716.db2.gz DTCVONLDMSVLHH-HDICACEKSA-N 2 1 342.487 1.834 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@]2(O)CCC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC000901025817 592202985 /nfs/dbraw/zinc/20/29/85/592202985.db2.gz KWTNKUQTZFPYTB-YVWKXTFCSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000901025817 592202986 /nfs/dbraw/zinc/20/29/86/592202986.db2.gz KWTNKUQTZFPYTB-YVWKXTFCSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000901025817 592202987 /nfs/dbraw/zinc/20/29/87/592202987.db2.gz KWTNKUQTZFPYTB-YVWKXTFCSA-N 2 1 345.487 1.612 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906656202 592237991 /nfs/dbraw/zinc/23/79/91/592237991.db2.gz RKPHNZSFFVCXGM-AWEZNQCLSA-N 2 1 346.475 1.619 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000908030684 592280983 /nfs/dbraw/zinc/28/09/83/592280983.db2.gz ZIBGIXFFYRWWKO-QGZVFWFLSA-N 2 1 341.459 1.411 20 0 EDADMP Cn1cc(CN2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cn1 ZINC000903753359 592296442 /nfs/dbraw/zinc/29/64/42/592296442.db2.gz UIQKSEHVMZBDJT-GOSISDBHSA-N 2 1 347.507 1.087 20 0 EDADMP C[C@@H]1[NH2+]CCn2c(-c3nc([C@H]4C[N@H+]5CCC[C@@H]5CO4)no3)ccc21 ZINC000904638228 592300566 /nfs/dbraw/zinc/30/05/66/592300566.db2.gz NVYXVNCBQUJWAD-YWPYICTPSA-N 2 1 329.404 1.738 20 0 EDADMP O[C@@H](COc1ccccc1)C[NH+]1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903739243 592300664 /nfs/dbraw/zinc/30/06/64/592300664.db2.gz FUWBQVGYINFHJR-RTBURBONSA-N 2 1 347.503 1.434 20 0 EDADMP O=C1NCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H]1CC1CCCCC1 ZINC000903760001 592306584 /nfs/dbraw/zinc/30/65/84/592306584.db2.gz DTGSTBVDMOHMHZ-SCTDSRPQSA-N 2 1 335.492 1.526 20 0 EDADMP O=C1NCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H]1CC1CCCCC1 ZINC000903760001 592306589 /nfs/dbraw/zinc/30/65/89/592306589.db2.gz DTGSTBVDMOHMHZ-SCTDSRPQSA-N 2 1 335.492 1.526 20 0 EDADMP CC(=O)N(C[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903755276 592314105 /nfs/dbraw/zinc/31/41/05/592314105.db2.gz DQNAWZJTAYHXOZ-MSOLQXFVSA-N 2 1 335.492 1.620 20 0 EDADMP CC(=O)Nc1cccc2c1C[N@@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903777387 592319674 /nfs/dbraw/zinc/31/96/74/592319674.db2.gz AVUNPHIAXQURAM-LPHOPBHVSA-N 2 1 329.444 1.772 20 0 EDADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H](O)COC[C@@H]2CCCO2)CCC1 ZINC000903810557 592331575 /nfs/dbraw/zinc/33/15/75/592331575.db2.gz DWJSXEDVUROECN-ULQDDVLXSA-N 2 1 326.481 1.526 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCc1cnn(-c3ccccc3)c1)C2 ZINC000903845981 592343792 /nfs/dbraw/zinc/34/37/92/592343792.db2.gz LFRMYJTYSPHYDA-LESCRADOSA-N 2 1 339.443 1.300 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCc1cnn(-c3ccccc3)c1)C2 ZINC000903845981 592343795 /nfs/dbraw/zinc/34/37/95/592343795.db2.gz LFRMYJTYSPHYDA-LESCRADOSA-N 2 1 339.443 1.300 20 0 EDADMP C/C(=C/C(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1)CN1CCOCC1 ZINC000908159160 592354168 /nfs/dbraw/zinc/35/41/68/592354168.db2.gz GDMMPRQKYVSGKX-QINSGFPZSA-N 2 1 332.448 1.469 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000906830543 592357830 /nfs/dbraw/zinc/35/78/30/592357830.db2.gz UNOBBKAUZBKANH-LJQANCHMSA-N 2 1 344.503 1.213 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000906830543 592357834 /nfs/dbraw/zinc/35/78/34/592357834.db2.gz UNOBBKAUZBKANH-LJQANCHMSA-N 2 1 344.503 1.213 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000906830543 592357840 /nfs/dbraw/zinc/35/78/40/592357840.db2.gz UNOBBKAUZBKANH-LJQANCHMSA-N 2 1 344.503 1.213 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000908177321 592361299 /nfs/dbraw/zinc/36/12/99/592361299.db2.gz IJXAXXPRDCDMDM-SFHVURJKSA-N 2 1 338.540 1.783 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000908177321 592361302 /nfs/dbraw/zinc/36/13/02/592361302.db2.gz IJXAXXPRDCDMDM-SFHVURJKSA-N 2 1 338.540 1.783 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000908177321 592361305 /nfs/dbraw/zinc/36/13/05/592361305.db2.gz IJXAXXPRDCDMDM-SFHVURJKSA-N 2 1 338.540 1.783 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)cc2)cnn1C ZINC000903914399 592364398 /nfs/dbraw/zinc/36/43/98/592364398.db2.gz UMVWXBLGYZOWCT-ZMYBRWDISA-N 2 1 346.450 1.793 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)cc2)cnn1C ZINC000903914399 592364401 /nfs/dbraw/zinc/36/44/01/592364401.db2.gz UMVWXBLGYZOWCT-ZMYBRWDISA-N 2 1 346.450 1.793 20 0 EDADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1nccn2cnnc12 ZINC000903914712 592364448 /nfs/dbraw/zinc/36/44/48/592364448.db2.gz VHDVAWVAAIEJQP-HNSVSWJLSA-N 2 1 341.463 1.165 20 0 EDADMP COc1ccc([C@H](CO)[N@@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903893060 592366068 /nfs/dbraw/zinc/36/60/68/592366068.db2.gz PLVXLVFLWLYZIO-BEFAXECRSA-N 2 1 346.475 1.520 20 0 EDADMP C[C@@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@@H]1n1ccnc1 ZINC000903898143 592369534 /nfs/dbraw/zinc/36/95/34/592369534.db2.gz JRQAUPAZOLEXCA-INMHGKMJSA-N 2 1 329.452 1.482 20 0 EDADMP C[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@@H]1n1ccnc1 ZINC000903898143 592369540 /nfs/dbraw/zinc/36/95/40/592369540.db2.gz JRQAUPAZOLEXCA-INMHGKMJSA-N 2 1 329.452 1.482 20 0 EDADMP Cc1cc([C@@H]2CCC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000903917944 592390998 /nfs/dbraw/zinc/39/09/98/592390998.db2.gz PCIRFOUXMNSRBH-HUUCEWRRSA-N 2 1 329.452 1.614 20 0 EDADMP Cc1cc([C@@H]2CCC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000903917944 592391005 /nfs/dbraw/zinc/39/10/05/592391005.db2.gz PCIRFOUXMNSRBH-HUUCEWRRSA-N 2 1 329.452 1.614 20 0 EDADMP Cc1cc([C@@H]2CCC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000903917944 592391010 /nfs/dbraw/zinc/39/10/10/592391010.db2.gz PCIRFOUXMNSRBH-HUUCEWRRSA-N 2 1 329.452 1.614 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)C3(O)CCC3)c2)CCO1 ZINC000905059770 592397017 /nfs/dbraw/zinc/39/70/17/592397017.db2.gz HYPNGUHJZOKZNR-YJBOKZPZSA-N 2 1 334.460 1.273 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)C3(O)CCC3)c2)CCO1 ZINC000905059770 592397021 /nfs/dbraw/zinc/39/70/21/592397021.db2.gz HYPNGUHJZOKZNR-YJBOKZPZSA-N 2 1 334.460 1.273 20 0 EDADMP CO[C@H]1CCN(Cc2nc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)co2)C1 ZINC000908262615 592411165 /nfs/dbraw/zinc/41/11/65/592411165.db2.gz ZCPHCLPYDJPELZ-KBPBESRZSA-N 2 1 338.452 1.354 20 0 EDADMP CC[N@@H+](CCCNS(=O)(=O)CC1CC[NH2+]CC1)C1CCCCC1 ZINC000905346626 592501210 /nfs/dbraw/zinc/50/12/10/592501210.db2.gz VTEGGZWNINBTHY-UHFFFAOYSA-N 2 1 345.553 1.950 20 0 EDADMP CN(C)c1nccc2cc(NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)ccc21 ZINC000908535856 592528591 /nfs/dbraw/zinc/52/85/91/592528591.db2.gz ZMQPGXLFWFMZLS-KSSFIOAISA-N 2 1 328.416 1.694 20 0 EDADMP O=C(Nc1ccccc1O)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000908560902 592539772 /nfs/dbraw/zinc/53/97/72/592539772.db2.gz QOBZGOAYQFZVKU-MRXNPFEDSA-N 2 1 347.459 1.499 20 0 EDADMP OC[C@H](C[C@H]1CCCO1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000905458898 592541275 /nfs/dbraw/zinc/54/12/75/592541275.db2.gz CXMDPCWKAAVLNU-IPMKNSEASA-N 2 1 334.460 1.143 20 0 EDADMP OC[C@H](C[C@H]1CCCO1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000905458898 592541277 /nfs/dbraw/zinc/54/12/77/592541277.db2.gz CXMDPCWKAAVLNU-IPMKNSEASA-N 2 1 334.460 1.143 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCC(=O)Nc1cccnc1)C2 ZINC000905500975 592545700 /nfs/dbraw/zinc/54/57/00/592545700.db2.gz DGHQDFOQXYKBOM-PSBWJHGTSA-N 2 1 346.475 1.480 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)C2 ZINC000905501866 592546224 /nfs/dbraw/zinc/54/62/24/592546224.db2.gz HSACCUZRVJSCSJ-GFEQUFNTSA-N 2 1 336.451 1.928 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908609404 592552948 /nfs/dbraw/zinc/55/29/48/592552948.db2.gz RINKXNPQUIKKNQ-OAHLLOKOSA-N 2 1 336.480 1.748 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC000907218472 592555418 /nfs/dbraw/zinc/55/54/18/592555418.db2.gz FPEXSNMKUMEUNF-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC000907218472 592555419 /nfs/dbraw/zinc/55/54/19/592555419.db2.gz FPEXSNMKUMEUNF-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000907218472 592555421 /nfs/dbraw/zinc/55/54/21/592555421.db2.gz FPEXSNMKUMEUNF-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000907218472 592555424 /nfs/dbraw/zinc/55/54/24/592555424.db2.gz FPEXSNMKUMEUNF-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP C[NH+]1CCC(CNC(=S)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000905633005 592591534 /nfs/dbraw/zinc/59/15/34/592591534.db2.gz ITTZLOROENIIOZ-CABCVRRESA-N 2 1 342.578 1.372 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000907405004 592630102 /nfs/dbraw/zinc/63/01/02/592630102.db2.gz OKAUJMISRKBHRC-QSOKESPWSA-N 2 1 331.460 1.078 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000907405004 592630104 /nfs/dbraw/zinc/63/01/04/592630104.db2.gz OKAUJMISRKBHRC-QSOKESPWSA-N 2 1 331.460 1.078 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907405004 592630106 /nfs/dbraw/zinc/63/01/06/592630106.db2.gz OKAUJMISRKBHRC-QSOKESPWSA-N 2 1 331.460 1.078 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000907405004 592630108 /nfs/dbraw/zinc/63/01/08/592630108.db2.gz OKAUJMISRKBHRC-QSOKESPWSA-N 2 1 331.460 1.078 20 0 EDADMP O[C@@H](CN1CC[NH+](CCOc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000908981967 592687158 /nfs/dbraw/zinc/68/71/58/592687158.db2.gz NKTIMCMNXUEXRT-GOSISDBHSA-N 2 1 333.476 1.140 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000909914297 592710778 /nfs/dbraw/zinc/71/07/78/592710778.db2.gz MCYUPDPIGPXXAK-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000909914297 592710781 /nfs/dbraw/zinc/71/07/81/592710781.db2.gz MCYUPDPIGPXXAK-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP O=C(N[C@@H]1CCn2cncc2C1)C1CCC(N2CCOCC2)CC1 ZINC000911572036 592951568 /nfs/dbraw/zinc/95/15/68/592951568.db2.gz REIFTTUHJVIUFV-HWOWSKLDSA-N 2 1 332.448 1.205 20 0 EDADMP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000911635673 592972105 /nfs/dbraw/zinc/97/21/05/592972105.db2.gz KRJNQAFIDKMIMI-IBGZPJMESA-N 2 1 331.460 1.226 20 0 EDADMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000103461917 593302909 /nfs/dbraw/zinc/30/29/09/593302909.db2.gz QYPXEIKGAFRUGZ-INIZCTEOSA-N 2 1 325.478 1.100 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000103461917 593302912 /nfs/dbraw/zinc/30/29/12/593302912.db2.gz QYPXEIKGAFRUGZ-INIZCTEOSA-N 2 1 325.478 1.100 20 0 EDADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000839505200 593312157 /nfs/dbraw/zinc/31/21/57/593312157.db2.gz YTLUACKDJOQCGS-UHFFFAOYSA-N 2 1 338.477 1.592 20 0 EDADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000839505200 593312159 /nfs/dbraw/zinc/31/21/59/593312159.db2.gz YTLUACKDJOQCGS-UHFFFAOYSA-N 2 1 338.477 1.592 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C(=O)C3(CCC3)[C@H]2[C@H]2CCCO2)CC1 ZINC000811747614 593478475 /nfs/dbraw/zinc/47/84/75/593478475.db2.gz PESMJCIWWWSIPT-IAGOWNOFSA-N 2 1 335.492 1.778 20 0 EDADMP CC1(C)[C@@H](O)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000812866045 593511200 /nfs/dbraw/zinc/51/12/00/593511200.db2.gz XEAHNRKQCQKOIQ-SFHVURJKSA-N 2 1 345.487 1.744 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCCNC2=O)cc1 ZINC000812900448 593512320 /nfs/dbraw/zinc/51/23/20/593512320.db2.gz IWORPRAMZCELNZ-MAUKXSAKSA-N 2 1 346.475 1.714 20 0 EDADMP COC(=O)[C@@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(C)C ZINC000813334086 593527393 /nfs/dbraw/zinc/52/73/93/593527393.db2.gz WPRGWBHFJGQBRC-MRXNPFEDSA-N 2 1 349.479 1.153 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000817897149 593646669 /nfs/dbraw/zinc/64/66/69/593646669.db2.gz GHQTXVKFOJNPOD-IPMKNSEASA-N 2 1 345.487 1.782 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000817897149 593646670 /nfs/dbraw/zinc/64/66/70/593646670.db2.gz GHQTXVKFOJNPOD-IPMKNSEASA-N 2 1 345.487 1.782 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccccc1F ZINC000818997473 593733105 /nfs/dbraw/zinc/73/31/05/593733105.db2.gz BNDRYMRBYUXTMS-SJORKVTESA-N 2 1 337.439 1.391 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccccc1F ZINC000818997473 593733106 /nfs/dbraw/zinc/73/31/06/593733106.db2.gz BNDRYMRBYUXTMS-SJORKVTESA-N 2 1 337.439 1.391 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)c2ccc(F)cc2F)C1 ZINC000819005243 593733774 /nfs/dbraw/zinc/73/37/74/593733774.db2.gz ZHAOIVFCLSZQAP-LRDDRELGSA-N 2 1 341.402 1.175 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2ccc(F)cc2F)C1 ZINC000819005243 593733775 /nfs/dbraw/zinc/73/37/75/593733775.db2.gz ZHAOIVFCLSZQAP-LRDDRELGSA-N 2 1 341.402 1.175 20 0 EDADMP C[NH+](C)CC1CC[NH+](c2ccc(NCCS(C)(=O)=O)cc2)CC1 ZINC000819445714 593754986 /nfs/dbraw/zinc/75/49/86/593754986.db2.gz SWOZNUVOVLVTAJ-UHFFFAOYSA-N 2 1 339.505 1.921 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNc2c(-c3nn[nH]n3)cnc3ccccc32)C1 ZINC000820708939 593867886 /nfs/dbraw/zinc/86/78/86/593867886.db2.gz ACJKHKJISHBCIK-CYBMUJFWSA-N 2 1 337.431 1.981 20 0 EDADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(-n2cnnc2)c1 ZINC000820809463 593894929 /nfs/dbraw/zinc/89/49/29/593894929.db2.gz BFFRBLHYJYOXAT-QGZVFWFLSA-N 2 1 342.491 1.946 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4C[C@]45CC[NH2+]C5)n3)cn2)CC1 ZINC000822915347 594121542 /nfs/dbraw/zinc/12/15/42/594121542.db2.gz OZWZDLFGJQLUKZ-KSSFIOAISA-N 2 1 340.431 1.350 20 0 EDADMP O=C(N1CC[NH2+][C@@H](c2ccc(O)cc2)C1)C12CCC[NH+](CCC1)C2 ZINC000825199010 594146286 /nfs/dbraw/zinc/14/62/86/594146286.db2.gz OEYAXFMJBINYDQ-QGZVFWFLSA-N 2 1 329.444 1.741 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCCCC[NH3+])c1 ZINC000827533618 594226344 /nfs/dbraw/zinc/22/63/44/594226344.db2.gz HZSVQPSMHGTLMJ-INIZCTEOSA-N 2 1 332.448 1.594 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCCCC[NH3+])c1 ZINC000827533618 594226346 /nfs/dbraw/zinc/22/63/46/594226346.db2.gz HZSVQPSMHGTLMJ-INIZCTEOSA-N 2 1 332.448 1.594 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825848961 594261787 /nfs/dbraw/zinc/26/17/87/594261787.db2.gz INUJZSZPNQVSKJ-IKGGRYGDSA-N 2 1 342.447 1.550 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000827939811 594307215 /nfs/dbraw/zinc/30/72/15/594307215.db2.gz ACKCCGOZIVFUJM-CZUORRHYSA-N 2 1 325.453 1.778 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826157833 594354176 /nfs/dbraw/zinc/35/41/76/594354176.db2.gz NRFWYHFJYGQNNE-KRWDZBQOSA-N 2 1 344.463 1.802 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000841727534 594944063 /nfs/dbraw/zinc/94/40/63/594944063.db2.gz UNKGNJZXOKPERU-GOEBONIOSA-N 2 1 342.447 1.892 20 0 EDADMP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc(Cl)n1 ZINC000841853157 594965681 /nfs/dbraw/zinc/96/56/81/594965681.db2.gz XGIVKLLJEQQOJM-SWLSCSKDSA-N 2 1 328.819 1.593 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841856539 594966470 /nfs/dbraw/zinc/96/64/70/594966470.db2.gz RWJLWKDMSXFOGH-SFHVURJKSA-N 2 1 332.492 1.965 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CC[N@H+]1C ZINC000843333038 595077773 /nfs/dbraw/zinc/07/77/73/595077773.db2.gz UIRPQQSKJYYIDP-XOKHGSTOSA-N 2 1 345.443 1.874 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CC[C@@]4(CCC[NH2+]4)C3)CC2)[nH+]c1 ZINC000842513466 595124591 /nfs/dbraw/zinc/12/45/91/595124591.db2.gz QJYAHFRPFVZDHU-IBGZPJMESA-N 2 1 328.460 1.961 20 0 EDADMP CO[C@H](C)c1noc(CN2CCC[N@@H+](CCCCCC[NH3+])CC2)n1 ZINC000846220046 595177250 /nfs/dbraw/zinc/17/72/50/595177250.db2.gz JZURMMCFNHAVEU-OAHLLOKOSA-N 2 1 339.484 1.804 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000843062024 595277001 /nfs/dbraw/zinc/27/70/01/595277001.db2.gz KQABFNAVOYRGOA-IUODEOHRSA-N 2 1 343.265 1.529 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000843061996 595277099 /nfs/dbraw/zinc/27/70/99/595277099.db2.gz KBKVWSBKMFHENK-HUUCEWRRSA-N 2 1 332.366 1.785 20 0 EDADMP CC[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000844172192 595290925 /nfs/dbraw/zinc/29/09/25/595290925.db2.gz QYAWQLCJJIGJQF-OALUTQOASA-N 2 1 345.487 1.708 20 0 EDADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)c1 ZINC000844175684 595292506 /nfs/dbraw/zinc/29/25/06/595292506.db2.gz KUMJRJMJPPGSQH-GOSISDBHSA-N 2 1 333.476 1.912 20 0 EDADMP Cc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1N ZINC000844192230 595298288 /nfs/dbraw/zinc/29/82/88/595298288.db2.gz JNWMVUQNTCJEHB-UHFFFAOYSA-N 2 1 325.416 1.976 20 0 EDADMP C[NH+](C)CCOc1cc(-c2noc([C@@H]([NH3+])CC(F)F)n2)ccn1 ZINC000843192120 595302437 /nfs/dbraw/zinc/30/24/37/595302437.db2.gz RAASKGXMYQPAHJ-JTQLQIEISA-N 2 1 327.335 1.727 20 0 EDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844220494 595305756 /nfs/dbraw/zinc/30/57/56/595305756.db2.gz FSIQASRMKTWWEY-LJQANCHMSA-N 2 1 348.491 1.815 20 0 EDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000846920136 595337340 /nfs/dbraw/zinc/33/73/40/595337340.db2.gz UNJPABWHZNDEDD-ZWKOTPCHSA-N 2 1 339.480 1.386 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000846920136 595337342 /nfs/dbraw/zinc/33/73/42/595337342.db2.gz UNJPABWHZNDEDD-ZWKOTPCHSA-N 2 1 339.480 1.386 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000846920136 595337344 /nfs/dbraw/zinc/33/73/44/595337344.db2.gz UNJPABWHZNDEDD-ZWKOTPCHSA-N 2 1 339.480 1.386 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000844901470 595410758 /nfs/dbraw/zinc/41/07/58/595410758.db2.gz FSGDSGRDHJAFEJ-KSZLIROESA-N 3 1 341.459 1.986 20 0 EDADMP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000849072804 595477912 /nfs/dbraw/zinc/47/79/12/595477912.db2.gz IBXRPRZAVOPLBI-OAHLLOKOSA-N 2 1 331.464 1.827 20 0 EDADMP CN1CC[N@@H+](CCCNC2=[NH+]CCCN2C)[C@@H](c2ccccc2)C1 ZINC000849110551 595483640 /nfs/dbraw/zinc/48/36/40/595483640.db2.gz IPVYVXWVHIKNNB-GOSISDBHSA-N 2 1 329.492 1.646 20 0 EDADMP CN1CCC[NH+]=C1NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000849110551 595483641 /nfs/dbraw/zinc/48/36/41/595483641.db2.gz IPVYVXWVHIKNNB-GOSISDBHSA-N 2 1 329.492 1.646 20 0 EDADMP CN1CCC[NH+]=C1NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000849110551 595483642 /nfs/dbraw/zinc/48/36/42/595483642.db2.gz IPVYVXWVHIKNNB-GOSISDBHSA-N 2 1 329.492 1.646 20 0 EDADMP CC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849498079 595551658 /nfs/dbraw/zinc/55/16/58/595551658.db2.gz JAPGQAKJUDQBTN-QZTJIDSGSA-N 2 1 347.507 1.304 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849567709 595572372 /nfs/dbraw/zinc/57/23/72/595572372.db2.gz IRIWDPSEODLRRV-SJORKVTESA-N 2 1 333.480 1.056 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852858280 595580276 /nfs/dbraw/zinc/58/02/76/595580276.db2.gz WUKTWTQECWADQZ-WMLDXEAASA-N 2 1 344.459 1.781 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852865196 595585022 /nfs/dbraw/zinc/58/50/22/595585022.db2.gz UPBFYDYTOONEBE-QGZVFWFLSA-N 2 1 344.459 1.461 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849597235 595586582 /nfs/dbraw/zinc/58/65/82/595586582.db2.gz RJXTUILHFOPUCB-ZACQAIPSSA-N 2 1 333.480 1.008 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849597235 595586585 /nfs/dbraw/zinc/58/65/85/595586585.db2.gz RJXTUILHFOPUCB-ZACQAIPSSA-N 2 1 333.480 1.008 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849597235 595586586 /nfs/dbraw/zinc/58/65/86/595586586.db2.gz RJXTUILHFOPUCB-ZACQAIPSSA-N 2 1 333.480 1.008 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1 ZINC000857852579 595633100 /nfs/dbraw/zinc/63/31/00/595633100.db2.gz SMQIRKYWASHWHR-KRWDZBQOSA-N 2 1 341.459 1.868 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000857852579 595633105 /nfs/dbraw/zinc/63/31/05/595633105.db2.gz SMQIRKYWASHWHR-KRWDZBQOSA-N 2 1 341.459 1.868 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)cn1 ZINC000850858553 595656484 /nfs/dbraw/zinc/65/64/84/595656484.db2.gz GCKBCHLFFGXKAT-CQSZACIVSA-N 2 1 344.419 1.004 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H](O)c1cccc(F)c1 ZINC000855346287 595680358 /nfs/dbraw/zinc/68/03/58/595680358.db2.gz VJOBKINRWCGGOB-WMLDXEAASA-N 2 1 339.455 1.637 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H](O)c1cccc(F)c1 ZINC000855346287 595680362 /nfs/dbraw/zinc/68/03/62/595680362.db2.gz VJOBKINRWCGGOB-WMLDXEAASA-N 2 1 339.455 1.637 20 0 EDADMP Cc1nn(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)c1Cl ZINC000855345681 595681033 /nfs/dbraw/zinc/68/10/33/595681033.db2.gz GBELHOPVNCXRJI-LBPRGKRZSA-N 2 1 343.903 1.542 20 0 EDADMP Cc1nn(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)c1Cl ZINC000855345681 595681035 /nfs/dbraw/zinc/68/10/35/595681035.db2.gz GBELHOPVNCXRJI-LBPRGKRZSA-N 2 1 343.903 1.542 20 0 EDADMP CS[C@H]1CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000853793585 595882505 /nfs/dbraw/zinc/88/25/05/595882505.db2.gz DHXWGSLCTNEYRG-ZNMIVQPWSA-N 2 1 330.542 1.842 20 0 EDADMP CS[C@H]1CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000853793585 595882509 /nfs/dbraw/zinc/88/25/09/595882509.db2.gz DHXWGSLCTNEYRG-ZNMIVQPWSA-N 2 1 330.542 1.842 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854128518 595984167 /nfs/dbraw/zinc/98/41/67/595984167.db2.gz JWVVYNXICDGAMY-UHFFFAOYSA-N 2 1 337.431 1.830 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854128518 595984171 /nfs/dbraw/zinc/98/41/71/595984171.db2.gz JWVVYNXICDGAMY-UHFFFAOYSA-N 2 1 337.431 1.830 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCn3cncn3)C2)ccn1 ZINC000856584311 596020058 /nfs/dbraw/zinc/02/00/58/596020058.db2.gz HLFCZPSLUMWKMR-QGZVFWFLSA-N 2 1 330.436 1.278 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCn3cncn3)C2)ccn1 ZINC000856584311 596020060 /nfs/dbraw/zinc/02/00/60/596020060.db2.gz HLFCZPSLUMWKMR-QGZVFWFLSA-N 2 1 330.436 1.278 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCn3cncn3)C2)ccn1 ZINC000856584311 596020063 /nfs/dbraw/zinc/02/00/63/596020063.db2.gz HLFCZPSLUMWKMR-QGZVFWFLSA-N 2 1 330.436 1.278 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[S@](C)=O)C2)ccn1 ZINC000856584918 596023458 /nfs/dbraw/zinc/02/34/58/596023458.db2.gz URFOFUXPVJHEPT-ZHRRBRCNSA-N 2 1 325.478 1.365 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC[S@](C)=O)C2)ccn1 ZINC000856584918 596023462 /nfs/dbraw/zinc/02/34/62/596023462.db2.gz URFOFUXPVJHEPT-ZHRRBRCNSA-N 2 1 325.478 1.365 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC[S@](C)=O)C2)ccn1 ZINC000856584918 596023467 /nfs/dbraw/zinc/02/34/67/596023467.db2.gz URFOFUXPVJHEPT-ZHRRBRCNSA-N 2 1 325.478 1.365 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857123010 596163416 /nfs/dbraw/zinc/16/34/16/596163416.db2.gz UTQIHTHTVZICSG-RBUKOAKNSA-N 2 1 344.503 1.471 20 0 EDADMP CN1CC[NH+](C)C[C@H]1CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857123010 596163419 /nfs/dbraw/zinc/16/34/19/596163419.db2.gz UTQIHTHTVZICSG-RBUKOAKNSA-N 2 1 344.503 1.471 20 0 EDADMP CN1CC[NH+](C)C[C@H]1CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857123010 596163420 /nfs/dbraw/zinc/16/34/20/596163420.db2.gz UTQIHTHTVZICSG-RBUKOAKNSA-N 2 1 344.503 1.471 20 0 EDADMP O=C(c1cccc2nccn21)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000861985479 596170149 /nfs/dbraw/zinc/17/01/49/596170149.db2.gz WLIGOHYBVPZJQA-UHFFFAOYSA-N 2 1 328.416 1.661 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000852567190 596199118 /nfs/dbraw/zinc/19/91/18/596199118.db2.gz QQCWQUSLEJAPDF-SJLPKXTDSA-N 2 1 330.476 1.547 20 0 EDADMP O=C(Oc1ccccc1)N1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000852745556 596237301 /nfs/dbraw/zinc/23/73/01/596237301.db2.gz WIJDLNXQHHDPRH-KRWDZBQOSA-N 2 1 345.443 1.714 20 0 EDADMP CCCCCCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852744745 596237330 /nfs/dbraw/zinc/23/73/30/596237330.db2.gz IKCMOBXMYDEXOZ-DLBZAZTESA-N 2 1 337.508 1.916 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000868750216 596294916 /nfs/dbraw/zinc/29/49/16/596294916.db2.gz HBYRIECIERXFSX-UHDSXZAQSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000868750216 596294919 /nfs/dbraw/zinc/29/49/19/596294919.db2.gz HBYRIECIERXFSX-UHDSXZAQSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000868750216 596294924 /nfs/dbraw/zinc/29/49/24/596294924.db2.gz HBYRIECIERXFSX-UHDSXZAQSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000868750216 596294929 /nfs/dbraw/zinc/29/49/29/596294929.db2.gz HBYRIECIERXFSX-UHDSXZAQSA-N 2 1 338.496 1.220 20 0 EDADMP CC1(C)CC[NH2+]CC[N@@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000866699120 596298726 /nfs/dbraw/zinc/29/87/26/596298726.db2.gz JTPNPVMGLGYKCA-UHFFFAOYSA-N 2 1 332.448 1.476 20 0 EDADMP CC1(C)CC[NH2+]CC[N@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000866699120 596298727 /nfs/dbraw/zinc/29/87/27/596298727.db2.gz JTPNPVMGLGYKCA-UHFFFAOYSA-N 2 1 332.448 1.476 20 0 EDADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709128 596303129 /nfs/dbraw/zinc/30/31/29/596303129.db2.gz IKTUWMLSSDRTTN-XOPPTJLZSA-N 2 1 337.370 1.893 20 0 EDADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709128 596303131 /nfs/dbraw/zinc/30/31/31/596303131.db2.gz IKTUWMLSSDRTTN-XOPPTJLZSA-N 2 1 337.370 1.893 20 0 EDADMP COCc1cccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866711223 596303851 /nfs/dbraw/zinc/30/38/51/596303851.db2.gz FRDRRIBFYCCGBD-ZACQAIPSSA-N 2 1 331.416 1.200 20 0 EDADMP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709869 596304116 /nfs/dbraw/zinc/30/41/16/596304116.db2.gz MJHBGEZIZUXHEP-XOPPTJLZSA-N 2 1 337.370 1.893 20 0 EDADMP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709869 596304121 /nfs/dbraw/zinc/30/41/21/596304121.db2.gz MJHBGEZIZUXHEP-XOPPTJLZSA-N 2 1 337.370 1.893 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000866714804 596306835 /nfs/dbraw/zinc/30/68/35/596306835.db2.gz XVYVKROMVALFJU-HYVNUMGLSA-N 2 1 337.464 1.593 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000866714767 596306918 /nfs/dbraw/zinc/30/69/18/596306918.db2.gz WZBVZIBPLLZQEV-KFWWJZLASA-N 2 1 337.370 1.991 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870919749 596404851 /nfs/dbraw/zinc/40/48/51/596404851.db2.gz GHFCKJBIXHVGKB-GFCCVEGCSA-N 2 1 334.489 1.824 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC000871280204 596520112 /nfs/dbraw/zinc/52/01/12/596520112.db2.gz DPVKGOJLPVGNPU-INIZCTEOSA-N 2 1 328.416 1.278 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC000871280204 596520114 /nfs/dbraw/zinc/52/01/14/596520114.db2.gz DPVKGOJLPVGNPU-INIZCTEOSA-N 2 1 328.416 1.278 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(Nc2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865442325 596576080 /nfs/dbraw/zinc/57/60/80/596576080.db2.gz GSVGPKSMKWMTTI-UHFFFAOYSA-N 2 1 344.381 1.925 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2cccnc2Br)CC1(C)C ZINC000865552168 596609162 /nfs/dbraw/zinc/60/91/62/596609162.db2.gz MIDXIJWHUBNOOS-UHFFFAOYSA-N 2 1 341.297 1.960 20 0 EDADMP CCOc1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)nc1 ZINC000863549595 596614488 /nfs/dbraw/zinc/61/44/88/596614488.db2.gz MVAPTSTZQGITHY-SJORKVTESA-N 2 1 346.431 1.237 20 0 EDADMP CCOC(=O)C1=CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000863577401 596624321 /nfs/dbraw/zinc/62/43/21/596624321.db2.gz YPPYNEBSRWMDDN-MSOLQXFVSA-N 2 1 332.444 1.721 20 0 EDADMP CCOC(=O)C1=CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000863577401 596624323 /nfs/dbraw/zinc/62/43/23/596624323.db2.gz YPPYNEBSRWMDDN-MSOLQXFVSA-N 2 1 332.444 1.721 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccnc(N4CCCC4)c3)CC[C@H]21 ZINC000868023140 596659159 /nfs/dbraw/zinc/65/91/59/596659159.db2.gz CMXBEJYEEAMBDC-DLBZAZTESA-N 2 1 343.475 1.917 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868186435 596715488 /nfs/dbraw/zinc/71/54/88/596715488.db2.gz SKUMTBQWIZJWFH-XOKHGSTOSA-N 2 1 331.464 1.259 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@H+]1C ZINC000868230721 596736876 /nfs/dbraw/zinc/73/68/76/596736876.db2.gz LZNWJOIRNAFGBP-IPOQPSJVSA-N 2 1 330.432 1.039 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000863969242 596737622 /nfs/dbraw/zinc/73/76/22/596737622.db2.gz SOHYKXAHQBSFPZ-WKULXVSPSA-N 2 1 326.481 1.082 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)cn2cc[nH+]c12 ZINC000868268436 596755508 /nfs/dbraw/zinc/75/55/08/596755508.db2.gz GSUZHCABCWMXLN-ZDUSSCGKSA-N 2 1 343.431 1.476 20 0 EDADMP CC(C)(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000872144080 596809479 /nfs/dbraw/zinc/80/94/79/596809479.db2.gz BQGJIIVXYFYASG-JYJNAYRXSA-N 2 1 346.537 1.808 20 0 EDADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156265 596815806 /nfs/dbraw/zinc/81/58/06/596815806.db2.gz HDHSXWFLQXRLHY-LZWOXQAQSA-N 2 1 338.496 1.840 20 0 EDADMP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000872154892 596816091 /nfs/dbraw/zinc/81/60/91/596816091.db2.gz DQNDHLVHBHPIAM-UHFFFAOYSA-N 2 1 334.464 1.778 20 0 EDADMP CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156943 596816099 /nfs/dbraw/zinc/81/60/99/596816099.db2.gz MNSHGIZFKMACRX-DZGCQCFKSA-N 2 1 347.511 1.639 20 0 EDADMP CN(C)c1nc(N)nc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156943 596816102 /nfs/dbraw/zinc/81/61/02/596816102.db2.gz MNSHGIZFKMACRX-DZGCQCFKSA-N 2 1 347.511 1.639 20 0 EDADMP CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156471 596816126 /nfs/dbraw/zinc/81/61/26/596816126.db2.gz KBRJHJPVZTWPGN-DOTOQJQBSA-N 2 1 345.553 1.935 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCN1CCOC[C@@H]1CC ZINC000875610059 596917787 /nfs/dbraw/zinc/91/77/87/596917787.db2.gz WASPAAVPBBQYAT-CVEARBPZSA-N 2 1 328.501 1.517 20 0 EDADMP CN(C)c1ncnc2c1cc(C(=O)N1CC[C@H]3[C@@H]1CCC[N@H+]3C)n2C ZINC000874834199 597190675 /nfs/dbraw/zinc/19/06/75/597190675.db2.gz QWXRCIHPSDGSDJ-KBPBESRZSA-N 2 1 342.447 1.343 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)CCCCCC[NH3+])cn2cc[nH+]c12 ZINC000873111596 597199457 /nfs/dbraw/zinc/19/94/57/597199457.db2.gz PTVCTMANIHNCGF-UHFFFAOYSA-N 2 1 331.420 1.559 20 0 EDADMP COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873210309 597229079 /nfs/dbraw/zinc/22/90/79/597229079.db2.gz BPULGIQUHFQDMF-HIFRSBDPSA-N 2 1 340.489 1.240 20 0 EDADMP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000876715044 597300679 /nfs/dbraw/zinc/30/06/79/597300679.db2.gz GGXJBSSKYRWVNX-DOTOQJQBSA-N 2 1 337.414 1.808 20 0 EDADMP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000876715044 597300684 /nfs/dbraw/zinc/30/06/84/597300684.db2.gz GGXJBSSKYRWVNX-DOTOQJQBSA-N 2 1 337.414 1.808 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H](F)[C@@H]3CC[NH2+]C3)c2)CCO1 ZINC000876736462 597314472 /nfs/dbraw/zinc/31/44/72/597314472.db2.gz IUMJXXHUMFBPLV-ZTFGCOKTSA-N 2 1 349.450 1.471 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H](F)[C@@H]3CC[NH2+]C3)c2)CCO1 ZINC000876736462 597314474 /nfs/dbraw/zinc/31/44/74/597314474.db2.gz IUMJXXHUMFBPLV-ZTFGCOKTSA-N 2 1 349.450 1.471 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876767450 597331204 /nfs/dbraw/zinc/33/12/04/597331204.db2.gz JTKNYJHEKOLNOD-NRSFXHEJSA-N 2 1 333.451 1.961 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000876774917 597335199 /nfs/dbraw/zinc/33/51/99/597335199.db2.gz KCCIDWVGIUMFTF-HZPDHXFCSA-N 2 1 333.480 1.530 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)/C=C/[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000876781619 597338524 /nfs/dbraw/zinc/33/85/24/597338524.db2.gz PRHXOZWYHHUTNZ-RCMYXZNBSA-N 2 1 342.487 1.928 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@]3(C[NH3+])CCCOC3)cc2)CC1 ZINC000876781515 597338732 /nfs/dbraw/zinc/33/87/32/597338732.db2.gz HODMWQJFNQDPLJ-IBGZPJMESA-N 2 1 346.475 1.523 20 0 EDADMP CN(OCC(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000875295760 597373103 /nfs/dbraw/zinc/37/31/03/597373103.db2.gz VFYXVOLZUHXXOE-LLVKDONJSA-N 2 1 338.374 1.290 20 0 EDADMP CN(OCC(F)(F)F)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000875295760 597373108 /nfs/dbraw/zinc/37/31/08/597373108.db2.gz VFYXVOLZUHXXOE-LLVKDONJSA-N 2 1 338.374 1.290 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C[C@H]1C[NH+](C)C ZINC000875390297 597410669 /nfs/dbraw/zinc/41/06/69/597410669.db2.gz AQLPBABKOWXWJW-BZUAXINKSA-N 2 1 348.495 1.168 20 0 EDADMP CO[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCOCC1 ZINC000877030481 597416803 /nfs/dbraw/zinc/41/68/03/597416803.db2.gz CUCNHVRYCGDXIQ-QZTJIDSGSA-N 2 1 326.481 1.661 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877132569 597439570 /nfs/dbraw/zinc/43/95/70/597439570.db2.gz HQBYSZDOQVJRND-NEWSRXKRSA-N 2 1 345.487 1.639 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877138833 597440980 /nfs/dbraw/zinc/44/09/80/597440980.db2.gz SQSYJXOFKXWZKM-IPMKNSEASA-N 2 1 338.455 1.899 20 0 EDADMP CC[C@H]1COCCN1CCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000875535648 597468510 /nfs/dbraw/zinc/46/85/10/597468510.db2.gz QXDMZPAQPFFVCN-RDJZCZTQSA-N 2 1 338.496 1.413 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875545215 597472573 /nfs/dbraw/zinc/47/25/73/597472573.db2.gz QSRQOSJCDPGDAM-GJZGRUSLSA-N 2 1 340.512 1.251 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875545215 597472576 /nfs/dbraw/zinc/47/25/76/597472576.db2.gz QSRQOSJCDPGDAM-GJZGRUSLSA-N 2 1 340.512 1.251 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000875545215 597472577 /nfs/dbraw/zinc/47/25/77/597472577.db2.gz QSRQOSJCDPGDAM-GJZGRUSLSA-N 2 1 340.512 1.251 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285334 597486772 /nfs/dbraw/zinc/48/67/72/597486772.db2.gz ZLZZZSBKXFLXLI-KURKYZTESA-N 2 1 328.460 1.647 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877389202 597507602 /nfs/dbraw/zinc/50/76/02/597507602.db2.gz ASROFJMBUVXLNC-QUCCMNQESA-N 2 1 342.487 1.205 20 0 EDADMP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000877389624 597507726 /nfs/dbraw/zinc/50/77/26/597507726.db2.gz FFNSBZZHPQTXMH-AOIWGVFYSA-N 2 1 328.460 1.694 20 0 EDADMP COc1ccc([C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000878022061 597569858 /nfs/dbraw/zinc/56/98/58/597569858.db2.gz BDUYVLOLRUHAEV-INIZCTEOSA-N 2 1 331.460 1.695 20 0 EDADMP CCC1(CC)[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1OC ZINC000878272801 597591762 /nfs/dbraw/zinc/59/17/62/597591762.db2.gz NAQAEOCYPUNVAS-CVEARBPZSA-N 2 1 325.497 1.722 20 0 EDADMP CN(CC[N@@H+](C)C[C@@H](O)CC1(O)CCCCC1)C1CC[NH+](C)CC1 ZINC000878311497 597594650 /nfs/dbraw/zinc/59/46/50/597594650.db2.gz NISPSUFAMLRNNI-SFHVURJKSA-N 2 1 341.540 1.390 20 0 EDADMP CN(CC[N@@H+](C)C[C@@H]1CCC2(CCOCC2)O1)C1CC[NH+](C)CC1 ZINC000878311418 597594665 /nfs/dbraw/zinc/59/46/65/597594665.db2.gz KXDKVEQRHTXPAV-SFHVURJKSA-N 2 1 339.524 1.672 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878315932 597594910 /nfs/dbraw/zinc/59/49/10/597594910.db2.gz YFQHOMWOGRPJHH-SFHVURJKSA-N 2 1 339.524 1.532 20 0 EDADMP CN(CCC[N@@H+](C)C[C@H]1CC2(CO1)CCOCC2)CC[NH+](C)C ZINC000878623365 597658803 /nfs/dbraw/zinc/65/88/03/597658803.db2.gz LDSGJXGROSUPNO-QGZVFWFLSA-N 2 1 327.513 1.387 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883133849 597662791 /nfs/dbraw/zinc/66/27/91/597662791.db2.gz JMNAFUGBWHEPAB-RYRKJORJSA-N 2 1 343.475 1.929 20 0 EDADMP CC(C)C[N@H+](CC(=O)N(C)Cc1cnn(C)c1)CC1CC[NH+](C)CC1 ZINC000879702556 597694527 /nfs/dbraw/zinc/69/45/27/597694527.db2.gz PWQRPXVKMMNPMK-UHFFFAOYSA-N 2 1 349.523 1.678 20 0 EDADMP CC[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCCOC1 ZINC000883353535 597723219 /nfs/dbraw/zinc/72/32/19/597723219.db2.gz WXDHNZSYHQBAAZ-IAGOWNOFSA-N 2 1 333.480 1.523 20 0 EDADMP CC1(C)C[C@H](C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C(C)(C)O1 ZINC000883439102 597747371 /nfs/dbraw/zinc/74/73/71/597747371.db2.gz IZBXSAJKQCLUOX-BARDWOONSA-N 2 1 337.464 1.447 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)CC2(CO)CCCC2)CCO1 ZINC000879001367 597781393 /nfs/dbraw/zinc/78/13/93/597781393.db2.gz VPXLFQJSQLYHKH-DLBZAZTESA-N 2 1 328.497 1.333 20 0 EDADMP [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883586047 597814637 /nfs/dbraw/zinc/81/46/37/597814637.db2.gz DILRWHYPDYETHQ-YJBOKZPZSA-N 2 1 343.475 1.784 20 0 EDADMP CN(C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1C[NH2+]C1 ZINC000883587001 597815078 /nfs/dbraw/zinc/81/50/78/597815078.db2.gz XFQZXJBTTKPMHS-MRXNPFEDSA-N 2 1 329.448 1.407 20 0 EDADMP O=C(NCC1C[NH2+]C1)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883586857 597815084 /nfs/dbraw/zinc/81/50/84/597815084.db2.gz UVLCGIMNZPJBBC-QGZVFWFLSA-N 2 1 329.448 1.312 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccnc(C(=O)N2CCCC2)c1 ZINC000882581381 597998117 /nfs/dbraw/zinc/99/81/17/597998117.db2.gz VCSQXMSCKZGXQM-INIZCTEOSA-N 2 1 347.507 1.423 20 0 EDADMP C[NH2+][C@@H](CC(C)C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000884194045 598022418 /nfs/dbraw/zinc/02/24/18/598022418.db2.gz XPCFJIHUDZCZEQ-DLBZAZTESA-N 2 1 346.475 1.709 20 0 EDADMP C[NH2+][C@@H](CC(C)C)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000884194045 598022421 /nfs/dbraw/zinc/02/24/21/598022421.db2.gz XPCFJIHUDZCZEQ-DLBZAZTESA-N 2 1 346.475 1.709 20 0 EDADMP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000884212616 598030965 /nfs/dbraw/zinc/03/09/65/598030965.db2.gz JJPAFFICUSJECL-NVXWUHKLSA-N 2 1 326.444 1.638 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000914192339 695267644 /nfs/dbraw/zinc/26/76/44/695267644.db2.gz UQFAONCTZXNQAH-CQSZACIVSA-N 2 1 326.510 1.351 20 0 EDADMP CC(=O)OC1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000153422857 695691073 /nfs/dbraw/zinc/69/10/73/695691073.db2.gz UWRWATJORYCVNR-UHFFFAOYSA-N 2 1 325.453 1.003 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@H+]1CC1CC1 ZINC000993367173 696015261 /nfs/dbraw/zinc/01/52/61/696015261.db2.gz QELIDOBHKIAZRF-ZBFHGGJFSA-N 2 1 333.480 1.437 20 0 EDADMP C[C@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccnn1C ZINC000993927396 696446985 /nfs/dbraw/zinc/44/69/85/696446985.db2.gz LZXJFWVFABIOHH-MAUKXSAKSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccnn1C ZINC000993927396 696446986 /nfs/dbraw/zinc/44/69/86/696446986.db2.gz LZXJFWVFABIOHH-MAUKXSAKSA-N 2 1 347.507 1.621 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994211249 696583619 /nfs/dbraw/zinc/58/36/19/696583619.db2.gz YHHAQYKGRAHSSH-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1CCc1ccns1 ZINC000994252353 696648423 /nfs/dbraw/zinc/64/84/23/696648423.db2.gz LGDGXTFGLTVTDD-HOCLYGCPSA-N 2 1 348.516 1.751 20 0 EDADMP COc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)on1 ZINC000940007974 700109158 /nfs/dbraw/zinc/10/91/58/700109158.db2.gz CAEKLOIOEAGBEI-AWEZNQCLSA-N 2 1 336.436 1.248 20 0 EDADMP COc1nccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000940007990 700109539 /nfs/dbraw/zinc/10/95/39/700109539.db2.gz CSELWKZVSBWVDR-HNNXBMFYSA-N 2 1 347.463 1.050 20 0 EDADMP COc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000940008308 700109827 /nfs/dbraw/zinc/10/98/27/700109827.db2.gz IKAKKNJAPOLPSJ-INIZCTEOSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nn1C ZINC000940008363 700109943 /nfs/dbraw/zinc/10/99/43/700109943.db2.gz KPJNNZGPYVSJNM-INIZCTEOSA-N 2 1 333.480 1.293 20 0 EDADMP COc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccn1 ZINC000940008597 700110336 /nfs/dbraw/zinc/11/03/36/700110336.db2.gz VEOHKHULBMDHFQ-MRXNPFEDSA-N 2 1 346.475 1.655 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000917889663 697103545 /nfs/dbraw/zinc/10/35/45/697103545.db2.gz HFUWSJVFYNOPQT-PMPSAXMXSA-N 2 1 340.537 1.740 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000917889663 697103547 /nfs/dbraw/zinc/10/35/47/697103547.db2.gz HFUWSJVFYNOPQT-PMPSAXMXSA-N 2 1 340.537 1.740 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000917889663 697103548 /nfs/dbraw/zinc/10/35/48/697103548.db2.gz HFUWSJVFYNOPQT-PMPSAXMXSA-N 2 1 340.537 1.740 20 0 EDADMP CC(C)c1ccccc1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031597236 697297486 /nfs/dbraw/zinc/29/74/86/697297486.db2.gz XKARUSHAHBAEDY-LJQANCHMSA-N 2 1 345.487 1.689 20 0 EDADMP CC(C)c1ccccc1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031597236 697297487 /nfs/dbraw/zinc/29/74/87/697297487.db2.gz XKARUSHAHBAEDY-LJQANCHMSA-N 2 1 345.487 1.689 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(CCO[C@@H]2CC2(F)F)C1 ZINC001031666870 697452180 /nfs/dbraw/zinc/45/21/80/697452180.db2.gz SRLUJCIRHSVUPZ-LSDHHAIUSA-N 2 1 345.434 1.331 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001031666870 697452181 /nfs/dbraw/zinc/45/21/81/697452181.db2.gz SRLUJCIRHSVUPZ-LSDHHAIUSA-N 2 1 345.434 1.331 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001031666870 697452183 /nfs/dbraw/zinc/45/21/83/697452183.db2.gz SRLUJCIRHSVUPZ-LSDHHAIUSA-N 2 1 345.434 1.331 20 0 EDADMP CCc1nocc1CN1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668508 697460875 /nfs/dbraw/zinc/46/08/75/697460875.db2.gz HYVLMYXKRYNSNE-NVXWUHKLSA-N 2 1 346.475 1.659 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668508 697460876 /nfs/dbraw/zinc/46/08/76/697460876.db2.gz HYVLMYXKRYNSNE-NVXWUHKLSA-N 2 1 346.475 1.659 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668508 697460878 /nfs/dbraw/zinc/46/08/78/697460878.db2.gz HYVLMYXKRYNSNE-NVXWUHKLSA-N 2 1 346.475 1.659 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnoc2C)C1 ZINC000995033448 700155610 /nfs/dbraw/zinc/15/56/10/700155610.db2.gz AXOJJZSOXXUVKV-GDBMZVCRSA-N 2 1 331.420 1.563 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCO[C@@H]3CC3(F)F)C2)CC[N@@H+]1C ZINC001031687040 697522951 /nfs/dbraw/zinc/52/29/51/697522951.db2.gz YAKWYLUBSNNTMK-RRFJBIMHSA-N 2 1 345.434 1.189 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCO[C@@H]3CC3(F)F)C2)CC[N@H+]1C ZINC001031687040 697522952 /nfs/dbraw/zinc/52/29/52/697522952.db2.gz YAKWYLUBSNNTMK-RRFJBIMHSA-N 2 1 345.434 1.189 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)C(C)(C)C[NH+](C)C ZINC000921388948 697588115 /nfs/dbraw/zinc/58/81/15/697588115.db2.gz WVMQPIMGANLBMK-HOCLYGCPSA-N 2 1 340.512 1.515 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001031715542 697736995 /nfs/dbraw/zinc/73/69/95/697736995.db2.gz VGHNEWCODJDZGH-AEFFLSMTSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cscn2)C1 ZINC000995039369 700234249 /nfs/dbraw/zinc/23/42/49/700234249.db2.gz SPLRJEPJHXTAHG-UONOGXRCSA-N 2 1 333.461 1.723 20 0 EDADMP C[C@@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000943772098 698877196 /nfs/dbraw/zinc/87/71/96/698877196.db2.gz QETYKOZAJMOUHU-PBHICJAKSA-N 2 1 343.431 1.090 20 0 EDADMP C[C@@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000943772098 698877200 /nfs/dbraw/zinc/87/72/00/698877200.db2.gz QETYKOZAJMOUHU-PBHICJAKSA-N 2 1 343.431 1.090 20 0 EDADMP CC[C@H](F)C[NH+]1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001032118448 698989131 /nfs/dbraw/zinc/98/91/31/698989131.db2.gz GPZWNPRETROMOU-KRWDZBQOSA-N 2 1 325.472 1.905 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031766385 699061664 /nfs/dbraw/zinc/06/16/64/699061664.db2.gz HMOBJMXPCIQNKW-DLBZAZTESA-N 2 1 332.448 1.548 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001031766385 699061666 /nfs/dbraw/zinc/06/16/66/699061666.db2.gz HMOBJMXPCIQNKW-DLBZAZTESA-N 2 1 332.448 1.548 20 0 EDADMP CC(C)[NH+](CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000183286387 701575874 /nfs/dbraw/zinc/57/58/74/701575874.db2.gz MFFLSOXSTUWZDC-HDICACEKSA-N 2 1 341.455 1.934 20 0 EDADMP CC(C)[NH+](CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000183286387 701575875 /nfs/dbraw/zinc/57/58/75/701575875.db2.gz MFFLSOXSTUWZDC-HDICACEKSA-N 2 1 341.455 1.934 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)on1 ZINC000939128705 699207671 /nfs/dbraw/zinc/20/76/71/699207671.db2.gz OEWXCZGWWCTEPU-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)nc1 ZINC000939138321 699218770 /nfs/dbraw/zinc/21/87/70/699218770.db2.gz WTYFSQLRQCFNTD-JKSUJKDBSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)nc1 ZINC000939138321 699218772 /nfs/dbraw/zinc/21/87/72/699218772.db2.gz WTYFSQLRQCFNTD-JKSUJKDBSA-N 2 1 345.491 1.453 20 0 EDADMP CC(C)N(CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000183286387 701575871 /nfs/dbraw/zinc/57/58/71/701575871.db2.gz MFFLSOXSTUWZDC-HDICACEKSA-N 2 1 341.455 1.934 20 0 EDADMP CC(C)[N@H+](CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000183286387 701575872 /nfs/dbraw/zinc/57/58/72/701575872.db2.gz MFFLSOXSTUWZDC-HDICACEKSA-N 2 1 341.455 1.934 20 0 EDADMP CC(C)[N@@H+](CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000183286387 701575873 /nfs/dbraw/zinc/57/58/73/701575873.db2.gz MFFLSOXSTUWZDC-HDICACEKSA-N 2 1 341.455 1.934 20 0 EDADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000939235416 699403408 /nfs/dbraw/zinc/40/34/08/699403408.db2.gz KCGORDPCUAHFDC-CZUORRHYSA-N 2 1 345.447 1.940 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCn2cccn2)C1 ZINC000939236958 699406432 /nfs/dbraw/zinc/40/64/32/699406432.db2.gz SJOZCFGQFZULFT-CVEARBPZSA-N 2 1 344.463 1.340 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939399589 699548937 /nfs/dbraw/zinc/54/89/37/699548937.db2.gz ZEDXQQBAAAYXPS-CZUORRHYSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000939753759 699903427 /nfs/dbraw/zinc/90/34/27/699903427.db2.gz IQUJETVAAQWSRB-CXAGYDPISA-N 2 1 330.407 1.967 20 0 EDADMP C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1[NH2+]Cc1cnon1 ZINC000939806069 699954548 /nfs/dbraw/zinc/95/45/48/699954548.db2.gz DNCXTHZQYIJMLS-SUMWQHHRSA-N 2 1 343.431 1.382 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940142310 700270692 /nfs/dbraw/zinc/27/06/92/700270692.db2.gz OOGLKOHYWCFBEV-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000940179055 700312586 /nfs/dbraw/zinc/31/25/86/700312586.db2.gz QEFZDTGKVFUKMS-MRXNPFEDSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000940179511 700313166 /nfs/dbraw/zinc/31/31/66/700313166.db2.gz WKKOHYCEPLZIJC-CQSZACIVSA-N 2 1 335.452 1.333 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC(C)([NH2+]Cc3cnn(C)n3)CC2)CC[N@H+]1C ZINC000940282282 700471257 /nfs/dbraw/zinc/47/12/57/700471257.db2.gz LSNFKUNTVYNHFD-GJZGRUSLSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nccs2)CC1 ZINC000940329247 700508502 /nfs/dbraw/zinc/50/85/02/700508502.db2.gz SHVHIKMWEXCJNM-UONOGXRCSA-N 2 1 336.505 1.812 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2cccn2)CC1(C)C ZINC000940618199 700799985 /nfs/dbraw/zinc/79/99/85/700799985.db2.gz QLFUNPAGQPKDDE-HOTGVXAUSA-N 2 1 333.480 1.194 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2cccn2)CC1(C)C ZINC000940618199 700799986 /nfs/dbraw/zinc/79/99/86/700799986.db2.gz QLFUNPAGQPKDDE-HOTGVXAUSA-N 2 1 333.480 1.194 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cccn2)CC1(C)C ZINC000940618199 700799987 /nfs/dbraw/zinc/79/99/87/700799987.db2.gz QLFUNPAGQPKDDE-HOTGVXAUSA-N 2 1 333.480 1.194 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940945173 701010683 /nfs/dbraw/zinc/01/06/83/701010683.db2.gz XSSAUKVKQNTXAW-HNNXBMFYSA-N 2 1 325.497 1.724 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941003419 701042817 /nfs/dbraw/zinc/04/28/17/701042817.db2.gz WQFRKNLUCIUCJZ-HOCLYGCPSA-N 2 1 325.497 1.580 20 0 EDADMP COC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031921939 701071420 /nfs/dbraw/zinc/07/14/20/701071420.db2.gz OAQTTWSNKIZVNH-YJBOKZPZSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccnn3C)CC2(C)C)C1 ZINC000941033987 701077417 /nfs/dbraw/zinc/07/74/17/701077417.db2.gz ZDVTXEWBSXZPTM-WBVHZDCISA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)CC2(C)C)C1 ZINC000941033987 701077421 /nfs/dbraw/zinc/07/74/21/701077421.db2.gz ZDVTXEWBSXZPTM-WBVHZDCISA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccnn3C)CC2(C)C)C1 ZINC000941033987 701077424 /nfs/dbraw/zinc/07/74/24/701077424.db2.gz ZDVTXEWBSXZPTM-WBVHZDCISA-N 2 1 347.507 1.479 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)no1 ZINC000999168176 706595855 /nfs/dbraw/zinc/59/58/55/706595855.db2.gz FIFOONIZVMEQDR-WBVHZDCISA-N 2 1 332.448 1.405 20 0 EDADMP CCO[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C[NH+](C)C ZINC000921677953 706602004 /nfs/dbraw/zinc/60/20/04/706602004.db2.gz HCVGLLLCJDPBAE-KURKYZTESA-N 2 1 348.491 1.698 20 0 EDADMP CC[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1)OC ZINC000946518373 706602291 /nfs/dbraw/zinc/60/22/91/706602291.db2.gz RQWVHNYAGUWLHR-XDNAFOTISA-N 2 1 337.508 1.676 20 0 EDADMP CC[C@H](C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1)OC ZINC000946518373 706602293 /nfs/dbraw/zinc/60/22/93/706602293.db2.gz RQWVHNYAGUWLHR-XDNAFOTISA-N 2 1 337.508 1.676 20 0 EDADMP CC[C@H](C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1)OC ZINC000946518373 706602296 /nfs/dbraw/zinc/60/22/96/706602296.db2.gz RQWVHNYAGUWLHR-XDNAFOTISA-N 2 1 337.508 1.676 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCN(C2C[NH+](C(C)C)C2)CC1 ZINC000941413712 701528669 /nfs/dbraw/zinc/52/86/69/701528669.db2.gz FMWPYMVCFJWLOM-MRXNPFEDSA-N 2 1 347.507 1.633 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(CC=C(C)C)C2)CC1 ZINC000941431651 701538176 /nfs/dbraw/zinc/53/81/76/701538176.db2.gz SEMHIDLJZWSAIR-IBGZPJMESA-N 2 1 348.535 1.655 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC=C(C)C)C2)CC1 ZINC000941431651 701538177 /nfs/dbraw/zinc/53/81/77/701538177.db2.gz SEMHIDLJZWSAIR-IBGZPJMESA-N 2 1 348.535 1.655 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC=C(C)C)C2)CC1 ZINC000941431651 701538178 /nfs/dbraw/zinc/53/81/78/701538178.db2.gz SEMHIDLJZWSAIR-IBGZPJMESA-N 2 1 348.535 1.655 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031978017 701982307 /nfs/dbraw/zinc/98/23/07/701982307.db2.gz MLEVNIIKNLIABE-DOMZBBRYSA-N 2 1 334.464 1.291 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031978017 701982312 /nfs/dbraw/zinc/98/23/12/701982312.db2.gz MLEVNIIKNLIABE-DOMZBBRYSA-N 2 1 334.464 1.291 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)oc1C ZINC000999190479 706632976 /nfs/dbraw/zinc/63/29/76/706632976.db2.gz RTDWQMKSGNRWMP-FVQBIDKESA-N 2 1 334.464 1.712 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)oc1C ZINC000999190479 706632979 /nfs/dbraw/zinc/63/29/79/706632979.db2.gz RTDWQMKSGNRWMP-FVQBIDKESA-N 2 1 334.464 1.712 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ncnn2C)C(C)(C)C1 ZINC000995802043 702046335 /nfs/dbraw/zinc/04/63/35/702046335.db2.gz NCTSTTQQHUGWOU-CABCVRRESA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ncnn2C)C(C)(C)C1 ZINC000995802043 702046342 /nfs/dbraw/zinc/04/63/42/702046342.db2.gz NCTSTTQQHUGWOU-CABCVRRESA-N 2 1 348.495 1.015 20 0 EDADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000995890411 702231952 /nfs/dbraw/zinc/23/19/52/702231952.db2.gz ATFRRPMUGRXSMH-SJORKVTESA-N 2 1 347.507 1.440 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995919459 702239712 /nfs/dbraw/zinc/23/97/12/702239712.db2.gz RFNSLCBBKKEKTA-INIZCTEOSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995911881 702268857 /nfs/dbraw/zinc/26/88/57/702268857.db2.gz BHCPEONDRZIUFQ-GOEBONIOSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995911881 702268859 /nfs/dbraw/zinc/26/88/59/702268859.db2.gz BHCPEONDRZIUFQ-GOEBONIOSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995982923 702343739 /nfs/dbraw/zinc/34/37/39/702343739.db2.gz QQAUQCIRZIFKCM-HOTGVXAUSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000995195833 702427362 /nfs/dbraw/zinc/42/73/62/702427362.db2.gz KFSQVHIRUIMGFQ-RDJZCZTQSA-N 2 1 327.432 1.661 20 0 EDADMP C[C@@H]1C[N@H+](Cc2nccs2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944154100 702443814 /nfs/dbraw/zinc/44/38/14/702443814.db2.gz JRHFFBNLXPNBMK-KGLIPLIRSA-N 2 1 334.489 1.566 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2nccs2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944154100 702443816 /nfs/dbraw/zinc/44/38/16/702443816.db2.gz JRHFFBNLXPNBMK-KGLIPLIRSA-N 2 1 334.489 1.566 20 0 EDADMP CC(C)c1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)o1 ZINC000995210504 702686337 /nfs/dbraw/zinc/68/63/37/702686337.db2.gz MCGIPPSNMDIPBP-LSDHHAIUSA-N 2 1 349.479 1.663 20 0 EDADMP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996299670 702690097 /nfs/dbraw/zinc/69/00/97/702690097.db2.gz BYMFULWIKKJJOS-HZPDHXFCSA-N 2 1 347.507 1.571 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)n1 ZINC000996300919 702692717 /nfs/dbraw/zinc/69/27/17/702692717.db2.gz PBPLNTDCNRSWHZ-ZBFHGGJFSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)n1 ZINC000996300919 702692718 /nfs/dbraw/zinc/69/27/18/702692718.db2.gz PBPLNTDCNRSWHZ-ZBFHGGJFSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1c(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2C)ccc2c[nH+]cn21 ZINC000942205325 702710569 /nfs/dbraw/zinc/71/05/69/702710569.db2.gz RFUBDKPFPGKGAB-CXAGYDPISA-N 2 1 330.432 1.465 20 0 EDADMP Cc1c(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2C)ccc2c[nH+]cn21 ZINC000942205326 702710770 /nfs/dbraw/zinc/71/07/70/702710770.db2.gz RFUBDKPFPGKGAB-DYVFJYSZSA-N 2 1 330.432 1.465 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)co1 ZINC000942256044 702747427 /nfs/dbraw/zinc/74/74/27/702747427.db2.gz CFEFPSDFRPFYTG-YOEHRIQHSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)co1 ZINC000942256044 702747429 /nfs/dbraw/zinc/74/74/29/702747429.db2.gz CFEFPSDFRPFYTG-YOEHRIQHSA-N 2 1 346.475 1.938 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@H]([NH2+]Cc3ccon3)C(C)(C)C2)CC1 ZINC000996385000 702749315 /nfs/dbraw/zinc/74/93/15/702749315.db2.gz CUEMFDCXRVPKDU-INIZCTEOSA-N 2 1 334.464 1.733 20 0 EDADMP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC000995218335 702750717 /nfs/dbraw/zinc/75/07/17/702750717.db2.gz XMRPOINKNZTUTD-HOTGVXAUSA-N 2 1 345.447 1.871 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)no1 ZINC000996462709 702790277 /nfs/dbraw/zinc/79/02/77/702790277.db2.gz AAHXWVDCGMSMOK-BBRMVZONSA-N 2 1 349.479 1.892 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)no1 ZINC000996462709 702790279 /nfs/dbraw/zinc/79/02/79/702790279.db2.gz AAHXWVDCGMSMOK-BBRMVZONSA-N 2 1 349.479 1.892 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC000996465199 702792408 /nfs/dbraw/zinc/79/24/08/702792408.db2.gz STNIGFQMIOBXKE-OAHLLOKOSA-N 2 1 335.452 1.331 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC000996465199 702792410 /nfs/dbraw/zinc/79/24/10/702792410.db2.gz STNIGFQMIOBXKE-OAHLLOKOSA-N 2 1 335.452 1.331 20 0 EDADMP Cc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)[nH]1 ZINC000996518225 702853885 /nfs/dbraw/zinc/85/38/85/702853885.db2.gz CXIXJSOGSOZSDK-GXTWGEPZSA-N 2 1 346.479 1.097 20 0 EDADMP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996607500 702910604 /nfs/dbraw/zinc/91/06/04/702910604.db2.gz OZJWQQUVUZAPNX-GDBMZVCRSA-N 2 1 348.495 1.027 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC000996608279 702911706 /nfs/dbraw/zinc/91/17/06/702911706.db2.gz RKOQPAJXHGBKIO-LALPHHSUSA-N 2 1 335.452 1.360 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC000996608279 702911708 /nfs/dbraw/zinc/91/17/08/702911708.db2.gz RKOQPAJXHGBKIO-LALPHHSUSA-N 2 1 335.452 1.360 20 0 EDADMP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996615004 702922250 /nfs/dbraw/zinc/92/22/50/702922250.db2.gz ONGQDAJTWHCHIZ-DLBZAZTESA-N 2 1 347.507 1.224 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)n1 ZINC000996661842 702959227 /nfs/dbraw/zinc/95/92/27/702959227.db2.gz ALFOGERKKJIUOG-HNNXBMFYSA-N 2 1 349.479 1.437 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)n1 ZINC000996661842 702959229 /nfs/dbraw/zinc/95/92/29/702959229.db2.gz ALFOGERKKJIUOG-HNNXBMFYSA-N 2 1 349.479 1.437 20 0 EDADMP CC(C)n1cc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)nn1 ZINC000996663893 702962056 /nfs/dbraw/zinc/96/20/56/702962056.db2.gz ACSVYPXRSDROOS-UHFFFAOYSA-N 2 1 348.495 1.424 20 0 EDADMP CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000996667169 702964214 /nfs/dbraw/zinc/96/42/14/702964214.db2.gz YCCZOSSJCNRHOU-UHFFFAOYSA-N 2 1 348.495 1.171 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000996686029 702984036 /nfs/dbraw/zinc/98/40/36/702984036.db2.gz CEWKWOOYJMTSPB-CZUORRHYSA-N 2 1 349.479 1.894 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3cccc(F)c3)CC2)O1 ZINC000996711868 703006406 /nfs/dbraw/zinc/00/64/06/703006406.db2.gz MJJTVWDSYOGWFY-RDTXWAMCSA-N 2 1 349.450 1.625 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3cccc(F)c3)CC2)O1 ZINC000996711868 703006407 /nfs/dbraw/zinc/00/64/07/703006407.db2.gz MJJTVWDSYOGWFY-RDTXWAMCSA-N 2 1 349.450 1.625 20 0 EDADMP Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000996711898 703006879 /nfs/dbraw/zinc/00/68/79/703006879.db2.gz MZDXFWLJCQXGEH-DLBZAZTESA-N 2 1 345.491 1.518 20 0 EDADMP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000996718325 703012123 /nfs/dbraw/zinc/01/21/23/703012123.db2.gz NMDAJLHFUDIMLJ-AEFFLSMTSA-N 2 1 345.491 1.518 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996721763 703016693 /nfs/dbraw/zinc/01/66/93/703016693.db2.gz ZSCATYJDGVTKRS-ROUUACIJSA-N 2 1 345.491 1.481 20 0 EDADMP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000996725145 703019766 /nfs/dbraw/zinc/01/97/66/703019766.db2.gz SEKFQGBCOIZRSX-VMWRSERWSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1cncc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000996728313 703023120 /nfs/dbraw/zinc/02/31/20/703023120.db2.gz IQCWMZFBCRWLPQ-SFHVURJKSA-N 2 1 330.476 1.955 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000996730303 703027296 /nfs/dbraw/zinc/02/72/96/703027296.db2.gz RGDQQTCMCAXULR-OAHLLOKOSA-N 2 1 349.479 1.587 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000996730303 703027299 /nfs/dbraw/zinc/02/72/99/703027299.db2.gz RGDQQTCMCAXULR-OAHLLOKOSA-N 2 1 349.479 1.587 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000996731204 703028145 /nfs/dbraw/zinc/02/81/45/703028145.db2.gz VQMYDTVNUJRSDT-OAHLLOKOSA-N 2 1 349.479 1.758 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000996731204 703028147 /nfs/dbraw/zinc/02/81/47/703028147.db2.gz VQMYDTVNUJRSDT-OAHLLOKOSA-N 2 1 349.479 1.758 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996755310 703044299 /nfs/dbraw/zinc/04/42/99/703044299.db2.gz CAGYHGVNSKQMPU-INIZCTEOSA-N 2 1 335.452 1.271 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001032027413 703049476 /nfs/dbraw/zinc/04/94/76/703049476.db2.gz RCCBABXMYPOXNU-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC000996799923 703086052 /nfs/dbraw/zinc/08/60/52/703086052.db2.gz CCWNZMHQTJSKOJ-YJBOKZPZSA-N 2 1 332.448 1.199 20 0 EDADMP CC(C)N1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000996801203 703087321 /nfs/dbraw/zinc/08/73/21/703087321.db2.gz FBXMPBUXUWJOCG-AOCRQIFASA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)[NH+]1CCN(C2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996801203 703087325 /nfs/dbraw/zinc/08/73/25/703087325.db2.gz FBXMPBUXUWJOCG-AOCRQIFASA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)[NH+]1CCN(C2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000996801203 703087328 /nfs/dbraw/zinc/08/73/28/703087328.db2.gz FBXMPBUXUWJOCG-AOCRQIFASA-N 2 1 336.524 1.392 20 0 EDADMP CCn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000942596722 703111303 /nfs/dbraw/zinc/11/13/03/703111303.db2.gz FFUWXUTVTKYHQZ-CRAIPNDOSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000942596722 703111304 /nfs/dbraw/zinc/11/13/04/703111304.db2.gz FFUWXUTVTKYHQZ-CRAIPNDOSA-N 2 1 347.507 1.571 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]C(C)C)[C@@H](C(F)(F)F)C1 ZINC000996852322 703130945 /nfs/dbraw/zinc/13/09/45/703130945.db2.gz YOPXDWSUSHTYFO-OLZOCXBDSA-N 2 1 332.370 1.826 20 0 EDADMP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000996911023 703181539 /nfs/dbraw/zinc/18/15/39/703181539.db2.gz NQGLIXYSTAOXIP-CRAIPNDOSA-N 2 1 337.508 1.745 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000996979667 703234752 /nfs/dbraw/zinc/23/47/52/703234752.db2.gz ODTATDMCIRILGR-PBHICJAKSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032043548 703249381 /nfs/dbraw/zinc/24/93/81/703249381.db2.gz IGYZPFNQKXWUGF-MOPGFXCFSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032043548 703249382 /nfs/dbraw/zinc/24/93/82/703249382.db2.gz IGYZPFNQKXWUGF-MOPGFXCFSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1nccnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000997000285 703257370 /nfs/dbraw/zinc/25/73/70/703257370.db2.gz OUPSSGUWGXFGGM-AWEZNQCLSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)c(C)o1 ZINC000997001195 703257982 /nfs/dbraw/zinc/25/79/82/703257982.db2.gz SSPWIKXBMPEDDC-CYBMUJFWSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1C ZINC000997008996 703263552 /nfs/dbraw/zinc/26/35/52/703263552.db2.gz NUIRHKMZLJQDIS-SUMWQHHRSA-N 2 1 333.480 1.007 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)o1 ZINC000997063910 703308940 /nfs/dbraw/zinc/30/89/40/703308940.db2.gz RQCCLVUZMXQCFI-AWEZNQCLSA-N 2 1 349.479 1.723 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997065066 703309629 /nfs/dbraw/zinc/30/96/29/703309629.db2.gz YIHPLQQWHFXEEA-SFHVURJKSA-N 2 1 347.507 1.727 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)[nH]1 ZINC000997086572 703332256 /nfs/dbraw/zinc/33/22/56/703332256.db2.gz ADHWPBAQXOBDPK-HOTGVXAUSA-N 2 1 346.479 1.211 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000997185075 703473983 /nfs/dbraw/zinc/47/39/83/703473983.db2.gz PFPKLRFTRWZCGG-ZDUSSCGKSA-N 2 1 329.435 1.954 20 0 EDADMP CCc1noc([C@H](C)[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000997186915 703475999 /nfs/dbraw/zinc/47/59/99/703475999.db2.gz LDXAPABPYLSQBD-ZDUSSCGKSA-N 2 1 347.463 1.369 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000997261382 703540188 /nfs/dbraw/zinc/54/01/88/703540188.db2.gz OOZJIBIXDJYXGT-BPQIPLTHSA-N 2 1 337.508 1.866 20 0 EDADMP CCc1cc(NC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nc(C)n1 ZINC001060824978 703554622 /nfs/dbraw/zinc/55/46/22/703554622.db2.gz MKSYAGYJXNRMIG-GOEBONIOSA-N 2 1 331.464 1.702 20 0 EDADMP CCc1cc(NC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001060824978 703554626 /nfs/dbraw/zinc/55/46/26/703554626.db2.gz MKSYAGYJXNRMIG-GOEBONIOSA-N 2 1 331.464 1.702 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000997334691 703562776 /nfs/dbraw/zinc/56/27/76/703562776.db2.gz GJCFAKRNLRWAPW-SFHVURJKSA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000997334691 703562777 /nfs/dbraw/zinc/56/27/77/703562777.db2.gz GJCFAKRNLRWAPW-SFHVURJKSA-N 2 1 331.460 1.488 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000997310673 703567538 /nfs/dbraw/zinc/56/75/38/703567538.db2.gz RPECUHFKBCUBOT-UHFFFAOYSA-N 2 1 330.436 1.014 20 0 EDADMP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)n1 ZINC000997366311 703600116 /nfs/dbraw/zinc/60/01/16/703600116.db2.gz BSXZJDIANPOABX-GOSISDBHSA-N 2 1 347.507 1.858 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)o2)CC1 ZINC000997367127 703601503 /nfs/dbraw/zinc/60/15/03/703601503.db2.gz UVDWXAXULSXEIA-CZUORRHYSA-N 2 1 349.479 1.894 20 0 EDADMP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032488246 703760786 /nfs/dbraw/zinc/76/07/86/703760786.db2.gz XRARSNGVWNHPMP-PVAVHDDUSA-N 2 1 337.508 1.959 20 0 EDADMP CO[C@H](C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001032488246 703760788 /nfs/dbraw/zinc/76/07/88/703760788.db2.gz XRARSNGVWNHPMP-PVAVHDDUSA-N 2 1 337.508 1.959 20 0 EDADMP CO[C@H](C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001032488246 703760789 /nfs/dbraw/zinc/76/07/89/703760789.db2.gz XRARSNGVWNHPMP-PVAVHDDUSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCOC2CCC2)CC1 ZINC000997517320 703767307 /nfs/dbraw/zinc/76/73/07/703767307.db2.gz ZZEDJBPIRSGWFO-MAUKXSAKSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3nccn3C)C2)C1 ZINC000999280126 706773099 /nfs/dbraw/zinc/77/30/99/706773099.db2.gz UKLKDKALMCRSMH-GTPINHCMSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001004204735 703944392 /nfs/dbraw/zinc/94/43/92/703944392.db2.gz VWXVOEBTNQDECB-GASCZTMLSA-N 2 1 347.507 1.682 20 0 EDADMP CCn1nc(C)c(CN[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995550484 703953614 /nfs/dbraw/zinc/95/36/14/703953614.db2.gz JQHBZKKYJUPVQA-CVEARBPZSA-N 2 1 348.495 1.027 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995550484 703953622 /nfs/dbraw/zinc/95/36/22/703953622.db2.gz JQHBZKKYJUPVQA-CVEARBPZSA-N 2 1 348.495 1.027 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CCN(Cc2cc(C)n(C)n2)CC1 ZINC001004208149 703968540 /nfs/dbraw/zinc/96/85/40/703968540.db2.gz NEMHSSDRDWCPDK-SFHVURJKSA-N 2 1 347.507 1.684 20 0 EDADMP COCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997653391 703969234 /nfs/dbraw/zinc/96/92/34/703969234.db2.gz KNAIOZCTNGJTKJ-WMZOPIPTSA-N 2 1 339.524 1.970 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032521986 703975720 /nfs/dbraw/zinc/97/57/20/703975720.db2.gz PBGMSOZVIHEERH-IRXDYDNUSA-N 2 1 332.448 1.293 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032521986 703975721 /nfs/dbraw/zinc/97/57/21/703975721.db2.gz PBGMSOZVIHEERH-IRXDYDNUSA-N 2 1 332.448 1.293 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033071339 704092615 /nfs/dbraw/zinc/09/26/15/704092615.db2.gz ZHCAVNNSFJLACU-IRXDYDNUSA-N 2 1 333.480 1.289 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033071339 704092618 /nfs/dbraw/zinc/09/26/18/704092618.db2.gz ZHCAVNNSFJLACU-IRXDYDNUSA-N 2 1 333.480 1.289 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033071339 704092621 /nfs/dbraw/zinc/09/26/21/704092621.db2.gz ZHCAVNNSFJLACU-IRXDYDNUSA-N 2 1 333.480 1.289 20 0 EDADMP Cc1nocc1CN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033070173 704099695 /nfs/dbraw/zinc/09/96/95/704099695.db2.gz ORMDOPXFXRWCSL-DLBZAZTESA-N 2 1 334.464 1.889 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033070173 704099698 /nfs/dbraw/zinc/09/96/98/704099698.db2.gz ORMDOPXFXRWCSL-DLBZAZTESA-N 2 1 334.464 1.889 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033070173 704099701 /nfs/dbraw/zinc/09/97/01/704099701.db2.gz ORMDOPXFXRWCSL-DLBZAZTESA-N 2 1 334.464 1.889 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033070173 704099704 /nfs/dbraw/zinc/09/97/04/704099704.db2.gz ORMDOPXFXRWCSL-DLBZAZTESA-N 2 1 334.464 1.889 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033070173 704099708 /nfs/dbraw/zinc/09/97/08/704099708.db2.gz ORMDOPXFXRWCSL-DLBZAZTESA-N 2 1 334.464 1.889 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946586604 704119727 /nfs/dbraw/zinc/11/97/27/704119727.db2.gz ONDRPJUACWWIQA-KSZLIROESA-N 2 1 337.508 1.412 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946586604 704119729 /nfs/dbraw/zinc/11/97/29/704119729.db2.gz ONDRPJUACWWIQA-KSZLIROESA-N 2 1 337.508 1.412 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946586604 704119731 /nfs/dbraw/zinc/11/97/31/704119731.db2.gz ONDRPJUACWWIQA-KSZLIROESA-N 2 1 337.508 1.412 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cc(C)no3)C2)CC[N@@H+]1C ZINC001033096428 704184471 /nfs/dbraw/zinc/18/44/71/704184471.db2.gz MQXXXKVPSPEUSN-HYVNUMGLSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cc(C)no3)C2)CC[N@H+]1C ZINC001033096428 704184472 /nfs/dbraw/zinc/18/44/72/704184472.db2.gz MQXXXKVPSPEUSN-HYVNUMGLSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(C)no3)C2)CC[NH+]1C ZINC001033096428 704184475 /nfs/dbraw/zinc/18/44/75/704184475.db2.gz MQXXXKVPSPEUSN-HYVNUMGLSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(C)no3)C2)CC[NH+]1C ZINC001033096428 704184477 /nfs/dbraw/zinc/18/44/77/704184477.db2.gz MQXXXKVPSPEUSN-HYVNUMGLSA-N 2 1 334.464 1.746 20 0 EDADMP COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946591082 704200519 /nfs/dbraw/zinc/20/05/19/704200519.db2.gz NAADDQHSHFYNSZ-YSHGAJCASA-N 2 1 349.519 1.534 20 0 EDADMP CCO[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C[NH+](C)C ZINC000922757107 704316507 /nfs/dbraw/zinc/31/65/07/704316507.db2.gz CDTGAWVVMCCTFK-OAHLLOKOSA-N 2 1 329.485 1.942 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nonc2C)C1 ZINC000999308704 706809732 /nfs/dbraw/zinc/80/97/32/706809732.db2.gz RLHAZVVHEDRNAM-ZBFHGGJFSA-N 2 1 335.452 1.333 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nonc2C)C1 ZINC000999308704 706809734 /nfs/dbraw/zinc/80/97/34/706809734.db2.gz RLHAZVVHEDRNAM-ZBFHGGJFSA-N 2 1 335.452 1.333 20 0 EDADMP Cc1cccc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2(C)C)c1 ZINC000995593498 704560103 /nfs/dbraw/zinc/56/01/03/704560103.db2.gz ZMGBGYXGZOUQOM-MSOLQXFVSA-N 2 1 345.487 1.652 20 0 EDADMP Cc1cccc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2(C)C)c1 ZINC000995593498 704560104 /nfs/dbraw/zinc/56/01/04/704560104.db2.gz ZMGBGYXGZOUQOM-MSOLQXFVSA-N 2 1 345.487 1.652 20 0 EDADMP Cc1conc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947933850 704582821 /nfs/dbraw/zinc/58/28/21/704582821.db2.gz HLRWNUFOGKKHSY-HUUCEWRRSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1conc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947933850 704582823 /nfs/dbraw/zinc/58/28/23/704582823.db2.gz HLRWNUFOGKKHSY-HUUCEWRRSA-N 2 1 332.448 1.548 20 0 EDADMP O=C(CCN1CCOCC1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001040455156 704654474 /nfs/dbraw/zinc/65/44/74/704654474.db2.gz ZUDGPVBPNURBBW-IBGZPJMESA-N 2 1 335.492 1.433 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001040455156 704654477 /nfs/dbraw/zinc/65/44/77/704654477.db2.gz ZUDGPVBPNURBBW-IBGZPJMESA-N 2 1 335.492 1.433 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001040455156 704654479 /nfs/dbraw/zinc/65/44/79/704654479.db2.gz ZUDGPVBPNURBBW-IBGZPJMESA-N 2 1 335.492 1.433 20 0 EDADMP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997780181 704682452 /nfs/dbraw/zinc/68/24/52/704682452.db2.gz ITXMDNQTUHGUQV-DOTOQJQBSA-N 2 1 347.463 1.272 20 0 EDADMP Cc1nonc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997860882 704771496 /nfs/dbraw/zinc/77/14/96/704771496.db2.gz NUGGIYKARJVDAS-SWLSCSKDSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1nonc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997860882 704771497 /nfs/dbraw/zinc/77/14/97/704771497.db2.gz NUGGIYKARJVDAS-SWLSCSKDSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)on1 ZINC000997865146 704772439 /nfs/dbraw/zinc/77/24/39/704772439.db2.gz LSMMMVDEIDNEMX-KRWDZBQOSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1)c1cnccn1 ZINC000997865270 704772592 /nfs/dbraw/zinc/77/25/92/704772592.db2.gz NBOUNSSFAVNPGI-QAPCUYQASA-N 2 1 345.491 1.850 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997865659 704772871 /nfs/dbraw/zinc/77/28/71/704772871.db2.gz GPYVZNDGTYYRLK-RDJZCZTQSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997865653 704773002 /nfs/dbraw/zinc/77/30/02/704773002.db2.gz GPYVZNDGTYYRLK-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944963522 704829555 /nfs/dbraw/zinc/82/95/55/704829555.db2.gz BKLBGFXHFCKVIF-WBMJQRKESA-N 2 1 345.447 1.823 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944963522 704829562 /nfs/dbraw/zinc/82/95/62/704829562.db2.gz BKLBGFXHFCKVIF-WBMJQRKESA-N 2 1 345.447 1.823 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944964561 704832354 /nfs/dbraw/zinc/83/23/54/704832354.db2.gz JPKXPPYNJSHLIK-GUYCJALGSA-N 2 1 344.463 1.260 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944964561 704832362 /nfs/dbraw/zinc/83/23/62/704832362.db2.gz JPKXPPYNJSHLIK-GUYCJALGSA-N 2 1 344.463 1.260 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000997916372 704981955 /nfs/dbraw/zinc/98/19/55/704981955.db2.gz SCHGKXCXPLJTNW-QGZVFWFLSA-N 2 1 334.464 1.446 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCCC2)C1 ZINC001032587619 705118703 /nfs/dbraw/zinc/11/87/03/705118703.db2.gz MZEZXSKGTMBJLR-BZSNNMDCSA-N 2 1 335.492 1.571 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCCC2)C1 ZINC001032587619 705118707 /nfs/dbraw/zinc/11/87/07/705118707.db2.gz MZEZXSKGTMBJLR-BZSNNMDCSA-N 2 1 335.492 1.571 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCC2)C1 ZINC001032587619 705118710 /nfs/dbraw/zinc/11/87/10/705118710.db2.gz MZEZXSKGTMBJLR-BZSNNMDCSA-N 2 1 335.492 1.571 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCCC2)C1 ZINC001032587619 705118713 /nfs/dbraw/zinc/11/87/13/705118713.db2.gz MZEZXSKGTMBJLR-BZSNNMDCSA-N 2 1 335.492 1.571 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000998062082 705276981 /nfs/dbraw/zinc/27/69/81/705276981.db2.gz CERQSJSLKOWSLK-OAHLLOKOSA-N 2 1 343.431 1.136 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000998062082 705276983 /nfs/dbraw/zinc/27/69/83/705276983.db2.gz CERQSJSLKOWSLK-OAHLLOKOSA-N 2 1 343.431 1.136 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)cn1 ZINC000998080926 705300133 /nfs/dbraw/zinc/30/01/33/705300133.db2.gz GAKZCKAWZPQYSX-INIZCTEOSA-N 2 1 345.491 1.598 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000998081249 705301856 /nfs/dbraw/zinc/30/18/56/705301856.db2.gz HUYDPYKHGKJYSY-OAHLLOKOSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998083612 705312770 /nfs/dbraw/zinc/31/27/70/705312770.db2.gz WVADFSRZJIXAJP-MRXNPFEDSA-N 2 1 330.476 1.894 20 0 EDADMP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000998084094 705314576 /nfs/dbraw/zinc/31/45/76/705314576.db2.gz ZNYVIOMOMLUKIT-KGLIPLIRSA-N 2 1 349.479 1.752 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000998189912 705495820 /nfs/dbraw/zinc/49/58/20/705495820.db2.gz OJTBUUZUPZJQFQ-SJORKVTESA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000998189912 705495822 /nfs/dbraw/zinc/49/58/22/705495822.db2.gz OJTBUUZUPZJQFQ-SJORKVTESA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000998189912 705495824 /nfs/dbraw/zinc/49/58/24/705495824.db2.gz OJTBUUZUPZJQFQ-SJORKVTESA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000998189912 705495827 /nfs/dbraw/zinc/49/58/27/705495827.db2.gz OJTBUUZUPZJQFQ-SJORKVTESA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](Cc2cncn2C)CC1 ZINC000998191835 705500412 /nfs/dbraw/zinc/50/04/12/705500412.db2.gz VCYUMLCKPHIPAQ-IRXDYDNUSA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](Cc2cncn2C)CC1 ZINC000998191835 705500416 /nfs/dbraw/zinc/50/04/16/705500416.db2.gz VCYUMLCKPHIPAQ-IRXDYDNUSA-N 2 1 347.507 1.575 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)c1nncn1C ZINC000998216732 705538773 /nfs/dbraw/zinc/53/87/73/705538773.db2.gz KHUOLSFHCFMRLM-GOEBONIOSA-N 2 1 348.495 1.046 20 0 EDADMP COc1ccnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000998272384 705655900 /nfs/dbraw/zinc/65/59/00/705655900.db2.gz KKTDGCJLFMJTPD-MRXNPFEDSA-N 2 1 346.475 1.370 20 0 EDADMP CCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C(F)(F)F ZINC000998283452 705677963 /nfs/dbraw/zinc/67/79/63/705677963.db2.gz WFRAGHCMYBFRCY-QWHCGFSZSA-N 2 1 332.370 1.971 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nonc2C)CC1 ZINC000998288364 705684129 /nfs/dbraw/zinc/68/41/29/705684129.db2.gz UWSANKIBOURQQN-QGZVFWFLSA-N 2 1 349.479 1.581 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001032627548 705730849 /nfs/dbraw/zinc/73/08/49/705730849.db2.gz ZZOIDAWKENSQSF-KBMXLJTQSA-N 2 1 348.516 1.763 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001032627548 705730851 /nfs/dbraw/zinc/73/08/51/705730851.db2.gz ZZOIDAWKENSQSF-KBMXLJTQSA-N 2 1 348.516 1.763 20 0 EDADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032627548 705730852 /nfs/dbraw/zinc/73/08/52/705730852.db2.gz ZZOIDAWKENSQSF-KBMXLJTQSA-N 2 1 348.516 1.763 20 0 EDADMP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032627548 705730855 /nfs/dbraw/zinc/73/08/55/705730855.db2.gz ZZOIDAWKENSQSF-KBMXLJTQSA-N 2 1 348.516 1.763 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccccc2)C1 ZINC001032627874 705742037 /nfs/dbraw/zinc/74/20/37/705742037.db2.gz LLZLMWWYTVUSBZ-BZSNNMDCSA-N 2 1 343.471 1.692 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccccc2)C1 ZINC001032627874 705742041 /nfs/dbraw/zinc/74/20/41/705742041.db2.gz LLZLMWWYTVUSBZ-BZSNNMDCSA-N 2 1 343.471 1.692 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOc2ccccc2)C1 ZINC001032627874 705742045 /nfs/dbraw/zinc/74/20/45/705742045.db2.gz LLZLMWWYTVUSBZ-BZSNNMDCSA-N 2 1 343.471 1.692 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOc2ccccc2)C1 ZINC001032627874 705742051 /nfs/dbraw/zinc/74/20/51/705742051.db2.gz LLZLMWWYTVUSBZ-BZSNNMDCSA-N 2 1 343.471 1.692 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c(C)s1 ZINC000998551880 705982401 /nfs/dbraw/zinc/98/24/01/705982401.db2.gz ROSBMUPXQFBUGD-ZBCRRDGASA-N 2 1 336.505 1.933 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]Cc2ccccc2F)C1 ZINC000998584145 706020925 /nfs/dbraw/zinc/02/09/25/706020925.db2.gz BFHILEZTLXOKGD-DQPZFDDXSA-N 2 1 335.423 1.235 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]Cc2ccccc2F)C1 ZINC000998584145 706020928 /nfs/dbraw/zinc/02/09/28/706020928.db2.gz BFHILEZTLXOKGD-DQPZFDDXSA-N 2 1 335.423 1.235 20 0 EDADMP CCOc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000998719069 706150849 /nfs/dbraw/zinc/15/08/49/706150849.db2.gz FIEJKYNPHPDMDC-IAGOWNOFSA-N 2 1 346.475 1.655 20 0 EDADMP CCc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998724632 706156284 /nfs/dbraw/zinc/15/62/84/706156284.db2.gz UZWBGVOLXFNBAM-YOEHRIQHSA-N 2 1 334.464 1.720 20 0 EDADMP COc1ccc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000998728031 706158361 /nfs/dbraw/zinc/15/83/61/706158361.db2.gz BCMIWDMASAWNTE-HKUYNNGSSA-N 2 1 345.487 1.913 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC000998730769 706163420 /nfs/dbraw/zinc/16/34/20/706163420.db2.gz KTFPLASYYXSFJA-CABCVRRESA-N 2 1 339.871 1.211 20 0 EDADMP Cc1ncsc1CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998731950 706164775 /nfs/dbraw/zinc/16/47/75/706164775.db2.gz PUOBMEGXNAWYSE-GJZGRUSLSA-N 2 1 336.505 1.669 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC000998763677 706203232 /nfs/dbraw/zinc/20/32/32/706203232.db2.gz ONBCZOCZYIITBC-YMAMQOFZSA-N 2 1 349.479 1.584 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC000998763677 706203233 /nfs/dbraw/zinc/20/32/33/706203233.db2.gz ONBCZOCZYIITBC-YMAMQOFZSA-N 2 1 349.479 1.584 20 0 EDADMP CCn1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)nn1 ZINC000998763925 706205184 /nfs/dbraw/zinc/20/51/84/706205184.db2.gz QBOQBGJOKONTDC-BDVYOWHSSA-N 2 1 348.495 1.250 20 0 EDADMP Cc1noc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC[C@@H]3C2)n1 ZINC000946517462 706527613 /nfs/dbraw/zinc/52/76/13/706527613.db2.gz DPLORFIFAKOBKZ-XHSDSOJGSA-N 2 1 347.463 1.143 20 0 EDADMP Cc1noc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC[C@@H]3C2)n1 ZINC000946517462 706527615 /nfs/dbraw/zinc/52/76/15/706527615.db2.gz DPLORFIFAKOBKZ-XHSDSOJGSA-N 2 1 347.463 1.143 20 0 EDADMP Cc1noc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC[C@@H]3C2)n1 ZINC000946517462 706527617 /nfs/dbraw/zinc/52/76/17/706527617.db2.gz DPLORFIFAKOBKZ-XHSDSOJGSA-N 2 1 347.463 1.143 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC([NH2+]CCC2CC2)C1 ZINC000999143432 706556749 /nfs/dbraw/zinc/55/67/49/706556749.db2.gz NNTJYLLZXJTIRZ-YMVOSSCXSA-N 2 1 333.476 1.229 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000999355221 706844649 /nfs/dbraw/zinc/84/46/49/706844649.db2.gz SXGCFGVYMNZTDM-SJORKVTESA-N 2 1 333.480 1.194 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999355255 706844917 /nfs/dbraw/zinc/84/49/17/706844917.db2.gz TZHLYWJCGVPNNM-MSOLQXFVSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncccn3)C2)C1 ZINC000999349801 706861857 /nfs/dbraw/zinc/86/18/57/706861857.db2.gz VALUFHGLZYLUNN-IRXDYDNUSA-N 2 1 345.491 1.535 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncccn3)C2)C1 ZINC000999349801 706861860 /nfs/dbraw/zinc/86/18/60/706861860.db2.gz VALUFHGLZYLUNN-IRXDYDNUSA-N 2 1 345.491 1.535 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999353334 706866632 /nfs/dbraw/zinc/86/66/32/706866632.db2.gz MEEMSFJRIBTQNO-QZTJIDSGSA-N 2 1 347.507 1.727 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999377559 706871677 /nfs/dbraw/zinc/87/16/77/706871677.db2.gz WISJGYISUQWKQW-WBVHZDCISA-N 2 1 348.495 1.280 20 0 EDADMP COc1cc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)ccn1 ZINC000999363394 706876892 /nfs/dbraw/zinc/87/68/92/706876892.db2.gz HFLNDQAJVQYPCW-INIZCTEOSA-N 2 1 346.475 1.655 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999368109 706881905 /nfs/dbraw/zinc/88/19/05/706881905.db2.gz FUFSXCBEBUQASO-RHSMWYFYSA-N 2 1 347.463 1.557 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999368109 706881906 /nfs/dbraw/zinc/88/19/06/706881906.db2.gz FUFSXCBEBUQASO-RHSMWYFYSA-N 2 1 347.463 1.557 20 0 EDADMP CCn1nncc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999398003 706892574 /nfs/dbraw/zinc/89/25/74/706892574.db2.gz ASERPCQAUNSJHF-HZPDHXFCSA-N 2 1 348.495 1.253 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999400202 706895220 /nfs/dbraw/zinc/89/52/20/706895220.db2.gz JQXPOYCSEBJRLQ-HZPDHXFCSA-N 2 1 331.464 1.432 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999400202 706895222 /nfs/dbraw/zinc/89/52/22/706895222.db2.gz JQXPOYCSEBJRLQ-HZPDHXFCSA-N 2 1 331.464 1.432 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2cccnc2)C1 ZINC000999402069 706910259 /nfs/dbraw/zinc/91/02/59/706910259.db2.gz DGHZRBYVGLPBCM-UHFFFAOYSA-N 2 1 330.476 1.893 20 0 EDADMP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC000999406942 706916571 /nfs/dbraw/zinc/91/65/71/706916571.db2.gz CATPWPGEERMWCT-UHFFFAOYSA-N 2 1 347.507 1.714 20 0 EDADMP Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999499011 706996836 /nfs/dbraw/zinc/99/68/36/706996836.db2.gz YGYYSKNUAWYFGT-SOLBZPMBSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999499011 706996838 /nfs/dbraw/zinc/99/68/38/706996838.db2.gz YGYYSKNUAWYFGT-SOLBZPMBSA-N 2 1 346.475 1.190 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999505058 707002376 /nfs/dbraw/zinc/00/23/76/707002376.db2.gz GVIUGLXAMWWSPG-VMWRSERWSA-N 2 1 347.507 1.762 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000999507718 707005260 /nfs/dbraw/zinc/00/52/60/707005260.db2.gz DMPQDIIWULJVCJ-WBVHZDCISA-N 2 1 331.464 1.350 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000999573380 707079640 /nfs/dbraw/zinc/07/96/40/707079640.db2.gz IOBFPVVHALHUIR-AEFFLSMTSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC000999575948 707083136 /nfs/dbraw/zinc/08/31/36/707083136.db2.gz RTPBYVZELVVJRA-DLBZAZTESA-N 2 1 347.507 1.621 20 0 EDADMP O=C(N1CCC[C@@H]([NH2+]Cc2ncccn2)C1)C12CCC[NH+]1CCC2 ZINC000999597566 707100105 /nfs/dbraw/zinc/10/01/05/707100105.db2.gz QMZYAUVBIJJNJR-OAHLLOKOSA-N 2 1 329.448 1.186 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC000999599040 707101713 /nfs/dbraw/zinc/10/17/13/707101713.db2.gz PUBCJYOVDVQHCF-UHFFFAOYSA-N 2 1 334.464 1.794 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946779797 707246708 /nfs/dbraw/zinc/24/67/08/707246708.db2.gz SXCFQYSMMHNRTE-ZSYWTGECSA-N 2 1 349.519 1.678 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946779797 707246709 /nfs/dbraw/zinc/24/67/09/707246709.db2.gz SXCFQYSMMHNRTE-ZSYWTGECSA-N 2 1 349.519 1.678 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946779797 707246712 /nfs/dbraw/zinc/24/67/12/707246712.db2.gz SXCFQYSMMHNRTE-ZSYWTGECSA-N 2 1 349.519 1.678 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000999725785 707267856 /nfs/dbraw/zinc/26/78/56/707267856.db2.gz NLIDXFGPZRQMDT-AWEZNQCLSA-N 2 1 326.391 1.817 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000999710948 707305406 /nfs/dbraw/zinc/30/54/06/707305406.db2.gz UUHRFFMVGZWFGU-UHFFFAOYSA-N 2 1 344.459 1.727 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033279717 707347834 /nfs/dbraw/zinc/34/78/34/707347834.db2.gz WOGPIEXXGJISSS-SFANZJOMSA-N 2 1 347.503 1.573 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001033279717 707347838 /nfs/dbraw/zinc/34/78/38/707347838.db2.gz WOGPIEXXGJISSS-SFANZJOMSA-N 2 1 347.503 1.573 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001033279717 707347842 /nfs/dbraw/zinc/34/78/42/707347842.db2.gz WOGPIEXXGJISSS-SFANZJOMSA-N 2 1 347.503 1.573 20 0 EDADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001033274476 707352748 /nfs/dbraw/zinc/35/27/48/707352748.db2.gz YYDYSSNIJADKSH-QAPCUYQASA-N 2 1 342.443 1.907 20 0 EDADMP COCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001033299186 707443270 /nfs/dbraw/zinc/44/32/70/707443270.db2.gz AIDPYTDPAZXYLZ-QGZVFWFLSA-N 2 1 328.416 1.665 20 0 EDADMP Cc1conc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)CC[C@@H]2C1 ZINC000946801090 707456656 /nfs/dbraw/zinc/45/66/56/707456656.db2.gz YPMIEYPGSXRKCK-GASCZTMLSA-N 2 1 343.431 1.619 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(F)cc2F)C1 ZINC000999833567 707465446 /nfs/dbraw/zinc/46/54/46/707465446.db2.gz ZKCRONPTKBAMJU-IUDNXUCKSA-N 2 1 337.414 1.996 20 0 EDADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000999837172 707473698 /nfs/dbraw/zinc/47/36/98/707473698.db2.gz OMFYIZVCIHEWRB-KLAILNCOSA-N 2 1 331.460 1.726 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925345207 707476480 /nfs/dbraw/zinc/47/64/80/707476480.db2.gz URAQQQRVOCMJQL-NXHRZFHOSA-N 2 1 330.476 1.647 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)CC[N@H+]1C ZINC000925345207 707476482 /nfs/dbraw/zinc/47/64/82/707476482.db2.gz URAQQQRVOCMJQL-NXHRZFHOSA-N 2 1 330.476 1.647 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC[NH+]1C ZINC000925345207 707476484 /nfs/dbraw/zinc/47/64/84/707476484.db2.gz URAQQQRVOCMJQL-NXHRZFHOSA-N 2 1 330.476 1.647 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC[NH+]1C ZINC000925345207 707476486 /nfs/dbraw/zinc/47/64/86/707476486.db2.gz URAQQQRVOCMJQL-NXHRZFHOSA-N 2 1 330.476 1.647 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033318661 707513463 /nfs/dbraw/zinc/51/34/63/707513463.db2.gz KOKLHZSRNDNMKF-INIZCTEOSA-N 2 1 333.480 1.327 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033318661 707513468 /nfs/dbraw/zinc/51/34/68/707513468.db2.gz KOKLHZSRNDNMKF-INIZCTEOSA-N 2 1 333.480 1.327 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001033320759 707517243 /nfs/dbraw/zinc/51/72/43/707517243.db2.gz WORIBOOYSYFWCT-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999875873 707522034 /nfs/dbraw/zinc/52/20/34/707522034.db2.gz CKXZJFKLWOOVDK-PREGVCBESA-N 2 1 333.480 1.374 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)ccn1 ZINC001033415789 707792549 /nfs/dbraw/zinc/79/25/49/707792549.db2.gz KUZXADYNJAOMPT-WBVHZDCISA-N 2 1 346.475 1.607 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)ccn1 ZINC001033415789 707792552 /nfs/dbraw/zinc/79/25/52/707792552.db2.gz KUZXADYNJAOMPT-WBVHZDCISA-N 2 1 346.475 1.607 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)ccn1 ZINC001033415789 707792558 /nfs/dbraw/zinc/79/25/58/707792558.db2.gz KUZXADYNJAOMPT-WBVHZDCISA-N 2 1 346.475 1.607 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)ccn1 ZINC001033415789 707792564 /nfs/dbraw/zinc/79/25/64/707792564.db2.gz KUZXADYNJAOMPT-WBVHZDCISA-N 2 1 346.475 1.607 20 0 EDADMP Cc1noc(CCC[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC001033416052 707793583 /nfs/dbraw/zinc/79/35/83/707793583.db2.gz MSBRJHONTPFKBZ-HOCLYGCPSA-N 2 1 349.479 1.328 20 0 EDADMP Cc1noc(CCC[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)n1 ZINC001033416052 707793585 /nfs/dbraw/zinc/79/35/85/707793585.db2.gz MSBRJHONTPFKBZ-HOCLYGCPSA-N 2 1 349.479 1.328 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)n1 ZINC001033416052 707793588 /nfs/dbraw/zinc/79/35/88/707793588.db2.gz MSBRJHONTPFKBZ-HOCLYGCPSA-N 2 1 349.479 1.328 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](CCc2ccns2)C1 ZINC001033418378 707802564 /nfs/dbraw/zinc/80/25/64/707802564.db2.gz BZMCGTFFMOWILD-CABCVRRESA-N 2 1 336.505 1.703 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033418378 707802568 /nfs/dbraw/zinc/80/25/68/707802568.db2.gz BZMCGTFFMOWILD-CABCVRRESA-N 2 1 336.505 1.703 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033418378 707802569 /nfs/dbraw/zinc/80/25/69/707802569.db2.gz BZMCGTFFMOWILD-CABCVRRESA-N 2 1 336.505 1.703 20 0 EDADMP C[C@H]([NH2+]Cc1csnn1)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004976376 707810033 /nfs/dbraw/zinc/81/00/33/707810033.db2.gz FPBLQQAHTNRRCG-DZGCQCFKSA-N 2 1 349.504 1.493 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)sn1 ZINC001033422555 707837177 /nfs/dbraw/zinc/83/71/77/707837177.db2.gz HPVCQQMLIONKDC-LSDHHAIUSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)sn1 ZINC001033422555 707837182 /nfs/dbraw/zinc/83/71/82/707837182.db2.gz HPVCQQMLIONKDC-LSDHHAIUSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)sn1 ZINC001033422555 707837187 /nfs/dbraw/zinc/83/71/87/707837187.db2.gz HPVCQQMLIONKDC-LSDHHAIUSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)sn1 ZINC001033422555 707837190 /nfs/dbraw/zinc/83/71/90/707837190.db2.gz HPVCQQMLIONKDC-LSDHHAIUSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)on1 ZINC001033470827 707932593 /nfs/dbraw/zinc/93/25/93/707932593.db2.gz DPDHBZIYDOWPLE-INIZCTEOSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)on1 ZINC001033470827 707932597 /nfs/dbraw/zinc/93/25/97/707932597.db2.gz DPDHBZIYDOWPLE-INIZCTEOSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1ccc(F)c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001032781416 707968720 /nfs/dbraw/zinc/96/87/20/707968720.db2.gz URCRMRUUZPDKRC-XIRDDKMYSA-N 2 1 331.435 1.871 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001000701305 708060098 /nfs/dbraw/zinc/06/00/98/708060098.db2.gz FUYDSDZTVDQZPQ-RHSMWYFYSA-N 2 1 346.475 1.880 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)o1 ZINC001000701305 708060100 /nfs/dbraw/zinc/06/01/00/708060100.db2.gz FUYDSDZTVDQZPQ-RHSMWYFYSA-N 2 1 346.475 1.880 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)o1 ZINC001000701305 708060103 /nfs/dbraw/zinc/06/01/03/708060103.db2.gz FUYDSDZTVDQZPQ-RHSMWYFYSA-N 2 1 346.475 1.880 20 0 EDADMP COCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001000920150 708076718 /nfs/dbraw/zinc/07/67/18/708076718.db2.gz SHDWBHYNTDGBKJ-RBUKOAKNSA-N 2 1 345.487 1.865 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033593496 708293256 /nfs/dbraw/zinc/29/32/56/708293256.db2.gz HNEKXOWCGMTJHB-JKSUJKDBSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033593496 708293257 /nfs/dbraw/zinc/29/32/57/708293257.db2.gz HNEKXOWCGMTJHB-JKSUJKDBSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033593496 708293259 /nfs/dbraw/zinc/29/32/59/708293259.db2.gz HNEKXOWCGMTJHB-JKSUJKDBSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033593496 708293260 /nfs/dbraw/zinc/29/32/60/708293260.db2.gz HNEKXOWCGMTJHB-JKSUJKDBSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001834036 708360670 /nfs/dbraw/zinc/36/06/70/708360670.db2.gz NUPPJSYNJIKSJY-KSSFIOAISA-N 2 1 347.507 1.254 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cc1F ZINC001033663776 708444569 /nfs/dbraw/zinc/44/45/69/708444569.db2.gz YWWFIPFVKBHENH-HZPDHXFCSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cc1F ZINC001033663776 708444570 /nfs/dbraw/zinc/44/45/70/708444570.db2.gz YWWFIPFVKBHENH-HZPDHXFCSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1F ZINC001033663776 708444573 /nfs/dbraw/zinc/44/45/73/708444573.db2.gz YWWFIPFVKBHENH-HZPDHXFCSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001033663776 708444576 /nfs/dbraw/zinc/44/45/76/708444576.db2.gz YWWFIPFVKBHENH-HZPDHXFCSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001033664333 708446072 /nfs/dbraw/zinc/44/60/72/708446072.db2.gz GJUWWJLLAPVPFO-CVEARBPZSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001033664333 708446074 /nfs/dbraw/zinc/44/60/74/708446074.db2.gz GJUWWJLLAPVPFO-CVEARBPZSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033664333 708446076 /nfs/dbraw/zinc/44/60/76/708446076.db2.gz GJUWWJLLAPVPFO-CVEARBPZSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033664333 708446077 /nfs/dbraw/zinc/44/60/77/708446077.db2.gz GJUWWJLLAPVPFO-CVEARBPZSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)ccc1C ZINC001033662207 708477277 /nfs/dbraw/zinc/47/72/77/708477277.db2.gz OWPHRPZOHLPBRK-ROUUACIJSA-N 2 1 345.487 1.988 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)ccc1C ZINC001033662207 708477279 /nfs/dbraw/zinc/47/72/79/708477279.db2.gz OWPHRPZOHLPBRK-ROUUACIJSA-N 2 1 345.487 1.988 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)ccc1C ZINC001033662207 708477281 /nfs/dbraw/zinc/47/72/81/708477281.db2.gz OWPHRPZOHLPBRK-ROUUACIJSA-N 2 1 345.487 1.988 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](CC[C@H]3CCCCO3)CC2)C1 ZINC001002120169 708633681 /nfs/dbraw/zinc/63/36/81/708633681.db2.gz HEQMUJQCKPMRPE-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP COc1ncccc1C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002121585 708635394 /nfs/dbraw/zinc/63/53/94/708635394.db2.gz RRCJFGXOYNOGAX-MRXNPFEDSA-N 2 1 346.475 1.370 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033826922 708826818 /nfs/dbraw/zinc/82/68/18/708826818.db2.gz XEFFNLALDPWNEF-ROUUACIJSA-N 2 1 347.507 1.679 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033826922 708826822 /nfs/dbraw/zinc/82/68/22/708826822.db2.gz XEFFNLALDPWNEF-ROUUACIJSA-N 2 1 347.507 1.679 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033826922 708826827 /nfs/dbraw/zinc/82/68/27/708826827.db2.gz XEFFNLALDPWNEF-ROUUACIJSA-N 2 1 347.507 1.679 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001033830649 708852733 /nfs/dbraw/zinc/85/27/33/708852733.db2.gz MKMARVKWIAVPOQ-AEFFLSMTSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001033830649 708852736 /nfs/dbraw/zinc/85/27/36/708852736.db2.gz MKMARVKWIAVPOQ-AEFFLSMTSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001033835294 708862708 /nfs/dbraw/zinc/86/27/08/708862708.db2.gz XKUZIVPPXHIIJJ-BPQIPLTHSA-N 2 1 347.507 1.492 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033835294 708862711 /nfs/dbraw/zinc/86/27/11/708862711.db2.gz XKUZIVPPXHIIJJ-BPQIPLTHSA-N 2 1 347.507 1.492 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033835294 708862715 /nfs/dbraw/zinc/86/27/15/708862715.db2.gz XKUZIVPPXHIIJJ-BPQIPLTHSA-N 2 1 347.507 1.492 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ccc(F)cn3)CC2)CC[N@@H+]1C ZINC001005407722 708911302 /nfs/dbraw/zinc/91/13/02/708911302.db2.gz QOWQDYRQIVANPZ-RDTXWAMCSA-N 2 1 348.466 1.984 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ccc(F)cn3)CC2)CC[N@H+]1C ZINC001005407722 708911303 /nfs/dbraw/zinc/91/13/03/708911303.db2.gz QOWQDYRQIVANPZ-RDTXWAMCSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+]([C@H](C)COC)C1 ZINC001033897561 709017073 /nfs/dbraw/zinc/01/70/73/709017073.db2.gz LLACGXVDVAHZPU-RHSMWYFYSA-N 2 1 330.432 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001033926585 709056352 /nfs/dbraw/zinc/05/63/52/709056352.db2.gz FJEPXMXQWHCZAW-CVEARBPZSA-N 2 1 334.464 1.890 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001033926585 709056356 /nfs/dbraw/zinc/05/63/56/709056356.db2.gz FJEPXMXQWHCZAW-CVEARBPZSA-N 2 1 334.464 1.890 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001033926585 709056360 /nfs/dbraw/zinc/05/63/60/709056360.db2.gz FJEPXMXQWHCZAW-CVEARBPZSA-N 2 1 334.464 1.890 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001033926585 709056362 /nfs/dbraw/zinc/05/63/62/709056362.db2.gz FJEPXMXQWHCZAW-CVEARBPZSA-N 2 1 334.464 1.890 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033927457 709057997 /nfs/dbraw/zinc/05/79/97/709057997.db2.gz MEUBKJQEGNGFAN-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033927457 709058000 /nfs/dbraw/zinc/05/80/00/709058000.db2.gz MEUBKJQEGNGFAN-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033927457 709058003 /nfs/dbraw/zinc/05/80/03/709058003.db2.gz MEUBKJQEGNGFAN-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033927457 709058006 /nfs/dbraw/zinc/05/80/06/709058006.db2.gz MEUBKJQEGNGFAN-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC001005478013 709104019 /nfs/dbraw/zinc/10/40/19/709104019.db2.gz SXRZOHAYICCMTG-CVEARBPZSA-N 2 1 338.496 1.048 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001033939813 709145404 /nfs/dbraw/zinc/14/54/04/709145404.db2.gz CPNBZEIVDBVZLF-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC001034013968 709228455 /nfs/dbraw/zinc/22/84/55/709228455.db2.gz SFKWAGFKFXPOBB-GOSISDBHSA-N 2 1 342.487 1.909 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034042305 709292223 /nfs/dbraw/zinc/29/22/23/709292223.db2.gz MXXUTWMZUOAMPZ-HOCLYGCPSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034042305 709292225 /nfs/dbraw/zinc/29/22/25/709292225.db2.gz MXXUTWMZUOAMPZ-HOCLYGCPSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034042305 709292230 /nfs/dbraw/zinc/29/22/30/709292230.db2.gz MXXUTWMZUOAMPZ-HOCLYGCPSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034042305 709292232 /nfs/dbraw/zinc/29/22/32/709292232.db2.gz MXXUTWMZUOAMPZ-HOCLYGCPSA-N 2 1 334.464 1.612 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001002792021 709399866 /nfs/dbraw/zinc/39/98/66/709399866.db2.gz MKWNZTDXEISNOD-GOSISDBHSA-N 2 1 347.507 1.416 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCCC[N@@H+](CC3CCC3)C2)n1 ZINC001034209162 709558782 /nfs/dbraw/zinc/55/87/82/709558782.db2.gz IOAOAUVQJMFOIM-KRWDZBQOSA-N 2 1 347.507 1.829 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cncn2)C1 ZINC001034238866 709620808 /nfs/dbraw/zinc/62/08/08/709620808.db2.gz GHWDSXLAUGSBAL-IRXDYDNUSA-N 2 1 348.495 1.123 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCn2cncn2)C1 ZINC001034238866 709620810 /nfs/dbraw/zinc/62/08/10/709620810.db2.gz GHWDSXLAUGSBAL-IRXDYDNUSA-N 2 1 348.495 1.123 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCn2cncn2)C1 ZINC001034238866 709620812 /nfs/dbraw/zinc/62/08/12/709620812.db2.gz GHWDSXLAUGSBAL-IRXDYDNUSA-N 2 1 348.495 1.123 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001002994322 709741800 /nfs/dbraw/zinc/74/18/00/709741800.db2.gz GIXILWSNYBUHLW-IAGOWNOFSA-N 2 1 337.508 1.581 20 0 EDADMP COCC[N@@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034311738 709756665 /nfs/dbraw/zinc/75/66/65/709756665.db2.gz IYJTYXZJQINKOL-OAHLLOKOSA-N 2 1 334.464 1.379 20 0 EDADMP COCC[N@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034311738 709756667 /nfs/dbraw/zinc/75/66/67/709756667.db2.gz IYJTYXZJQINKOL-OAHLLOKOSA-N 2 1 334.464 1.379 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CC2)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321056 709771082 /nfs/dbraw/zinc/77/10/82/709771082.db2.gz PZMXCAJJOGXCAW-ISXWCOSWSA-N 2 1 333.476 1.230 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CC2CC2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001034321056 709771084 /nfs/dbraw/zinc/77/10/84/709771084.db2.gz PZMXCAJJOGXCAW-ISXWCOSWSA-N 2 1 333.476 1.230 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CC2CC2)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001034321056 709771088 /nfs/dbraw/zinc/77/10/88/709771088.db2.gz PZMXCAJJOGXCAW-ISXWCOSWSA-N 2 1 333.476 1.230 20 0 EDADMP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001003007534 709776753 /nfs/dbraw/zinc/77/67/53/709776753.db2.gz JLNHZDQSMFOOCS-SFHVURJKSA-N 2 1 335.492 1.620 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@H](N(C)c2cc(C)[nH+]c(C)n2)C1)[NH+](C)C ZINC001061221086 709788683 /nfs/dbraw/zinc/78/86/83/709788683.db2.gz SZWYZZUHBKLJSD-JKSUJKDBSA-N 2 1 333.480 1.861 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccnn3C)CC2)C1 ZINC001003009372 709795191 /nfs/dbraw/zinc/79/51/91/709795191.db2.gz VMCPGGPMKGKFBN-INIZCTEOSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccnn3C)CC2)C1 ZINC001003009372 709795193 /nfs/dbraw/zinc/79/51/93/709795193.db2.gz VMCPGGPMKGKFBN-INIZCTEOSA-N 2 1 347.507 1.479 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nc(C)[nH+]1 ZINC001061234526 709880441 /nfs/dbraw/zinc/88/04/41/709880441.db2.gz RNQHWHWGLWZYIF-FUHWJXTLSA-N 2 1 345.491 1.861 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001034384349 709911039 /nfs/dbraw/zinc/91/10/39/709911039.db2.gz DKTSTUVIFPJIAP-GOSISDBHSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3ccsc3)CC2)O1 ZINC001003132265 710016457 /nfs/dbraw/zinc/01/64/57/710016457.db2.gz AGTIIKMDWDVVBW-CZUORRHYSA-N 2 1 337.489 1.548 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3ccsc3)CC2)O1 ZINC001003132265 710016461 /nfs/dbraw/zinc/01/64/61/710016461.db2.gz AGTIIKMDWDVVBW-CZUORRHYSA-N 2 1 337.489 1.548 20 0 EDADMP CO[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1)C1CCC1 ZINC001003161131 710070378 /nfs/dbraw/zinc/07/03/78/710070378.db2.gz UZGYLBWWQLXXCO-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034490821 710110010 /nfs/dbraw/zinc/11/00/10/710110010.db2.gz NZGXAKXOBMRFFV-CVEARBPZSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034490821 710110012 /nfs/dbraw/zinc/11/00/12/710110012.db2.gz NZGXAKXOBMRFFV-CVEARBPZSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034490821 710110014 /nfs/dbraw/zinc/11/00/14/710110014.db2.gz NZGXAKXOBMRFFV-CVEARBPZSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001034526659 710179096 /nfs/dbraw/zinc/17/90/96/710179096.db2.gz AWSPYWURDXHTSP-SJORKVTESA-N 2 1 334.464 1.731 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001034526659 710179097 /nfs/dbraw/zinc/17/90/97/710179097.db2.gz AWSPYWURDXHTSP-SJORKVTESA-N 2 1 334.464 1.731 20 0 EDADMP Cc1ncccc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528114 710181518 /nfs/dbraw/zinc/18/15/18/710181518.db2.gz KHGYCWHTKYSJJZ-SFHVURJKSA-N 2 1 330.476 1.957 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)nn1 ZINC001034612043 710286768 /nfs/dbraw/zinc/28/67/68/710286768.db2.gz OYOJUJFANGXNEI-ZOBUZTSGSA-N 2 1 348.495 1.470 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](C[C@@H]3CC(C)(C)CO3)C2)CC[N@H+]1C ZINC001032840120 710289412 /nfs/dbraw/zinc/28/94/12/710289412.db2.gz UJOIGZCKDZDPFK-NXOAAHMSSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CC(C)(C)CO3)C2)CC[NH+]1C ZINC001032840120 710289415 /nfs/dbraw/zinc/28/94/15/710289415.db2.gz UJOIGZCKDZDPFK-NXOAAHMSSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CC(C)(C)CO3)C2)CC[NH+]1C ZINC001032840120 710289417 /nfs/dbraw/zinc/28/94/17/710289417.db2.gz UJOIGZCKDZDPFK-NXOAAHMSSA-N 2 1 337.508 1.722 20 0 EDADMP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001061763335 710296430 /nfs/dbraw/zinc/29/64/30/710296430.db2.gz IUVNBIGEJMDWDP-FVQBIDKESA-N 2 1 331.464 1.376 20 0 EDADMP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001061763335 710296438 /nfs/dbraw/zinc/29/64/38/710296438.db2.gz IUVNBIGEJMDWDP-FVQBIDKESA-N 2 1 331.464 1.376 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nc(C)no3)CC2)CC[N@@H+]1C ZINC001034649773 710326430 /nfs/dbraw/zinc/32/64/30/710326430.db2.gz UIGPDKISCAWSDM-YHUYYLMFSA-N 2 1 349.479 1.625 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nc(C)no3)CC2)CC[N@H+]1C ZINC001034649773 710326432 /nfs/dbraw/zinc/32/64/32/710326432.db2.gz UIGPDKISCAWSDM-YHUYYLMFSA-N 2 1 349.479 1.625 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC001003636119 710463103 /nfs/dbraw/zinc/46/31/03/710463103.db2.gz SRPDCBIFUIRZJY-SUMWQHHRSA-N 2 1 346.475 1.830 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC001003636119 710463104 /nfs/dbraw/zinc/46/31/04/710463104.db2.gz SRPDCBIFUIRZJY-SUMWQHHRSA-N 2 1 346.475 1.830 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncs2)CC1 ZINC001034734840 710913857 /nfs/dbraw/zinc/91/38/57/710913857.db2.gz AIABRIQEKFZTJY-MGPQQGTHSA-N 2 1 337.493 1.539 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001034734280 710915290 /nfs/dbraw/zinc/91/52/90/710915290.db2.gz LZYNHAQBKYUEGD-BZUAXINKSA-N 2 1 348.495 1.157 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001034734492 710916486 /nfs/dbraw/zinc/91/64/86/710916486.db2.gz PXEJGLTVFNVDIL-RBSFLKMASA-N 2 1 349.479 1.491 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001034734492 710916489 /nfs/dbraw/zinc/91/64/89/710916489.db2.gz PXEJGLTVFNVDIL-RBSFLKMASA-N 2 1 349.479 1.491 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001034734613 710916949 /nfs/dbraw/zinc/91/69/49/710916949.db2.gz RZGNWCUMGAXLOH-FVQBIDKESA-N 2 1 334.464 1.842 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC001034734612 710917129 /nfs/dbraw/zinc/91/71/29/710917129.db2.gz RZGNWCUMGAXLOH-BPUTZDHNSA-N 2 1 334.464 1.842 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)ncn1 ZINC001034734712 710917392 /nfs/dbraw/zinc/91/73/92/710917392.db2.gz WAMLYHQXYNPCSZ-XIRDDKMYSA-N 2 1 345.491 1.644 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034735564 710920828 /nfs/dbraw/zinc/92/08/28/710920828.db2.gz IPSBDDNJPHCUHW-BZUAXINKSA-N 2 1 333.480 1.421 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)CC1 ZINC001034739251 710933512 /nfs/dbraw/zinc/93/35/12/710933512.db2.gz ZQWBTABEZWRJIW-NBOOPKSLSA-N 2 1 347.507 1.177 20 0 EDADMP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034739207 710933524 /nfs/dbraw/zinc/93/35/24/710933524.db2.gz ZEGSYKMPVTYUIG-ANQUJSFKSA-N 2 1 348.495 1.013 20 0 EDADMP Cc1nc(CC[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cs1 ZINC001032958449 710951108 /nfs/dbraw/zinc/95/11/08/710951108.db2.gz AFPPKFKYRSGFLX-JKSUJKDBSA-N 2 1 336.505 1.621 20 0 EDADMP Cc1nc(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cs1 ZINC001032958449 710951111 /nfs/dbraw/zinc/95/11/11/710951111.db2.gz AFPPKFKYRSGFLX-JKSUJKDBSA-N 2 1 336.505 1.621 20 0 EDADMP Cc1nc(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cs1 ZINC001032958449 710951117 /nfs/dbraw/zinc/95/11/17/710951117.db2.gz AFPPKFKYRSGFLX-JKSUJKDBSA-N 2 1 336.505 1.621 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034794652 711111568 /nfs/dbraw/zinc/11/15/68/711111568.db2.gz MXEVWLPAMFQARW-BRWVUGGUSA-N 2 1 334.464 1.635 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC001034791798 711117051 /nfs/dbraw/zinc/11/70/51/711117051.db2.gz RUSWSZJTIWKZOL-JYJNAYRXSA-N 2 1 348.495 1.328 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034792681 711120041 /nfs/dbraw/zinc/12/00/41/711120041.db2.gz KQEYMWGYDNLTBH-WKILWMFISA-N 2 1 330.436 1.105 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1ncccn1 ZINC001034793301 711123218 /nfs/dbraw/zinc/12/32/18/711123218.db2.gz VUHXYXFATRQUMX-FZKCQIBNSA-N 2 1 331.464 1.506 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001003974018 711131191 /nfs/dbraw/zinc/13/11/91/711131191.db2.gz HYGATZCQKYAEPE-HNNXBMFYSA-N 2 1 348.491 1.968 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC001005719635 711143381 /nfs/dbraw/zinc/14/33/81/711143381.db2.gz SOBOECAEMXGJIK-UHFFFAOYSA-N 2 1 345.447 1.919 20 0 EDADMP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC001034823626 711225279 /nfs/dbraw/zinc/22/52/79/711225279.db2.gz XGRPMCKNKPPNMV-SFHVURJKSA-N 2 1 333.476 1.910 20 0 EDADMP Cn1cncc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001034831886 711238062 /nfs/dbraw/zinc/23/80/62/711238062.db2.gz YLECBZBNBDVGFK-KRWDZBQOSA-N 2 1 341.459 1.278 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(Cl)n1 ZINC001034885540 711290376 /nfs/dbraw/zinc/29/03/76/711290376.db2.gz VWCPSQXVAZHVCN-OLZOCXBDSA-N 2 1 342.896 1.971 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(Cl)n1 ZINC001034885540 711290378 /nfs/dbraw/zinc/29/03/78/711290378.db2.gz VWCPSQXVAZHVCN-OLZOCXBDSA-N 2 1 342.896 1.971 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)oc1C ZINC001034957546 711429239 /nfs/dbraw/zinc/42/92/39/711429239.db2.gz ZZNOUWQIPJBWNA-OAHLLOKOSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)[nH]1 ZINC001034937013 711437321 /nfs/dbraw/zinc/43/73/21/711437321.db2.gz YRRKTPIYFJDGRN-HUUCEWRRSA-N 2 1 334.468 1.067 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)[nH]1 ZINC001034937013 711437325 /nfs/dbraw/zinc/43/73/25/711437325.db2.gz YRRKTPIYFJDGRN-HUUCEWRRSA-N 2 1 334.468 1.067 20 0 EDADMP CCc1nocc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034939453 711441565 /nfs/dbraw/zinc/44/15/65/711441565.db2.gz AWKXHSDVAYHQTR-FVQBIDKESA-N 2 1 334.464 1.658 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(N(C)C)nc1)C2 ZINC000922385674 711445314 /nfs/dbraw/zinc/44/53/14/711445314.db2.gz BWBBAFAAURESOF-CBZIJGRNSA-N 2 1 333.480 1.112 20 0 EDADMP Cc1c(Cl)c(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)nn1C ZINC000922391021 711454892 /nfs/dbraw/zinc/45/48/92/711454892.db2.gz QSIBUZLGNQJROD-WNOSKKOXSA-N 2 1 340.899 1.951 20 0 EDADMP Cc1c(Cl)c(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)nn1C ZINC000922391021 711454894 /nfs/dbraw/zinc/45/48/94/711454894.db2.gz QSIBUZLGNQJROD-WNOSKKOXSA-N 2 1 340.899 1.951 20 0 EDADMP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033121834 711849094 /nfs/dbraw/zinc/84/90/94/711849094.db2.gz IFCGKZGRNLCUCR-DZGCQCFKSA-N 2 1 339.505 1.991 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033121834 711849095 /nfs/dbraw/zinc/84/90/95/711849095.db2.gz IFCGKZGRNLCUCR-DZGCQCFKSA-N 2 1 339.505 1.991 20 0 EDADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633180 712054490 /nfs/dbraw/zinc/05/44/90/712054490.db2.gz LSJSNYHZYPGXKV-FJIDUMEYSA-N 2 1 339.524 1.778 20 0 EDADMP CC(C)=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642875 712129077 /nfs/dbraw/zinc/12/90/77/712129077.db2.gz SZFABAJCBINQOH-AKHDSKFASA-N 2 1 349.519 1.842 20 0 EDADMP CC(C)=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642875 712129078 /nfs/dbraw/zinc/12/90/78/712129078.db2.gz SZFABAJCBINQOH-AKHDSKFASA-N 2 1 349.519 1.842 20 0 EDADMP CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642875 712129079 /nfs/dbraw/zinc/12/90/79/712129079.db2.gz SZFABAJCBINQOH-AKHDSKFASA-N 2 1 349.519 1.842 20 0 EDADMP CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642875 712129081 /nfs/dbraw/zinc/12/90/81/712129081.db2.gz SZFABAJCBINQOH-AKHDSKFASA-N 2 1 349.519 1.842 20 0 EDADMP Cc1cc(N2CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C2=O)n(C)n1 ZINC000173778454 231030566 /nfs/dbraw/zinc/03/05/66/231030566.db2.gz RTWMQQBHWCNTEU-CABCVRRESA-N 2 1 335.496 1.790 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000362274621 282220555 /nfs/dbraw/zinc/22/05/55/282220555.db2.gz FKKZPMWGUXZVSZ-KRWDZBQOSA-N 2 1 337.508 1.726 20 0 EDADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000153667427 539342548 /nfs/dbraw/zinc/34/25/48/539342548.db2.gz WDDCCGIYJJALSU-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000153667427 539342552 /nfs/dbraw/zinc/34/25/52/539342552.db2.gz WDDCCGIYJJALSU-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1(CO)CC1 ZINC000186803049 529834960 /nfs/dbraw/zinc/83/49/60/529834960.db2.gz GIKPHGPCYKNSND-UHFFFAOYSA-N 2 1 345.487 1.603 20 0 EDADMP C[N@@H+](CC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@@H]1CCSC1 ZINC000345010961 282348575 /nfs/dbraw/zinc/34/85/75/282348575.db2.gz GNYSBWVHDDUEDW-HZPDHXFCSA-N 2 1 325.522 1.614 20 0 EDADMP Cc1ccc(S(=O)(=O)NCCN[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000177996552 232052706 /nfs/dbraw/zinc/05/27/06/232052706.db2.gz GSNGYPMWWURVBQ-GJZGRUSLSA-N 2 1 337.489 1.488 20 0 EDADMP Cc1ccc(S(=O)(=O)NCCN[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000177996552 232052708 /nfs/dbraw/zinc/05/27/08/232052708.db2.gz GSNGYPMWWURVBQ-GJZGRUSLSA-N 2 1 337.489 1.488 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000330008440 539488881 /nfs/dbraw/zinc/48/88/81/539488881.db2.gz GPXHHUCRCBVAOE-HNNXBMFYSA-N 2 1 344.463 1.636 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000330008440 539488886 /nfs/dbraw/zinc/48/88/86/539488886.db2.gz GPXHHUCRCBVAOE-HNNXBMFYSA-N 2 1 344.463 1.636 20 0 EDADMP C[C@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000561151723 306282870 /nfs/dbraw/zinc/28/28/70/306282870.db2.gz QQYRUDMLVGQNJL-HZPDHXFCSA-N 2 1 330.476 1.732 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000332930230 539615532 /nfs/dbraw/zinc/61/55/32/539615532.db2.gz QDMOJPOONLREMH-RDJZCZTQSA-N 2 1 348.495 1.120 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC000332930230 539615537 /nfs/dbraw/zinc/61/55/37/539615537.db2.gz QDMOJPOONLREMH-RDJZCZTQSA-N 2 1 348.495 1.120 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)CC[NH+]1C ZINC000332930230 539615541 /nfs/dbraw/zinc/61/55/41/539615541.db2.gz QDMOJPOONLREMH-RDJZCZTQSA-N 2 1 348.495 1.120 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)CC[NH+]1C ZINC000332930230 539615544 /nfs/dbraw/zinc/61/55/44/539615544.db2.gz QDMOJPOONLREMH-RDJZCZTQSA-N 2 1 348.495 1.120 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000333454409 539630665 /nfs/dbraw/zinc/63/06/65/539630665.db2.gz XZSTVHSCDNEBSX-RVKKMQEKSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000333454409 539630668 /nfs/dbraw/zinc/63/06/68/539630668.db2.gz XZSTVHSCDNEBSX-RVKKMQEKSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000333793778 539653474 /nfs/dbraw/zinc/65/34/74/539653474.db2.gz GPOCIENJJJEKMK-NCOADZHNSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)[C@H](CNC(=O)CC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCOCC1 ZINC000339244927 539701878 /nfs/dbraw/zinc/70/18/78/539701878.db2.gz LAHSGCNDEJEJGG-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)[C@H](CNC(=O)CC[N@H+]1CCCC[C@@H]1C)[NH+]1CCOCC1 ZINC000339244927 539701879 /nfs/dbraw/zinc/70/18/79/539701879.db2.gz LAHSGCNDEJEJGG-IRXDYDNUSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000151068098 539736499 /nfs/dbraw/zinc/73/64/99/539736499.db2.gz FUHWSACIONSAOT-IRXDYDNUSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000151068098 539736504 /nfs/dbraw/zinc/73/65/04/539736504.db2.gz FUHWSACIONSAOT-IRXDYDNUSA-N 2 1 340.512 1.661 20 0 EDADMP COCCN1CCC([NH2+]Cc2ccncc2OCC[NH+](C)C)CC1 ZINC000343929812 539800456 /nfs/dbraw/zinc/80/04/56/539800456.db2.gz LRRXXBIPKMZXGE-UHFFFAOYSA-N 2 1 336.480 1.222 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H](OC)C[NH+]2C)CC1 ZINC000345109465 539824837 /nfs/dbraw/zinc/82/48/37/539824837.db2.gz YVYVPSAHVBIOGE-IRXDYDNUSA-N 2 1 325.497 1.676 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000345109465 539824842 /nfs/dbraw/zinc/82/48/42/539824842.db2.gz YVYVPSAHVBIOGE-IRXDYDNUSA-N 2 1 325.497 1.676 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000345109465 539824848 /nfs/dbraw/zinc/82/48/48/539824848.db2.gz YVYVPSAHVBIOGE-IRXDYDNUSA-N 2 1 325.497 1.676 20 0 EDADMP Cc1ccc(CCC[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cn1 ZINC000354328916 539942098 /nfs/dbraw/zinc/94/20/98/539942098.db2.gz JYBBYCGBCUKIDH-UHFFFAOYSA-N 2 1 332.492 1.855 20 0 EDADMP C[C@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[NH2+]1 ZINC000562748823 306307795 /nfs/dbraw/zinc/30/77/95/306307795.db2.gz SCABDFUFUUPTIU-HNNXBMFYSA-N 2 1 332.448 1.387 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000345623865 535208177 /nfs/dbraw/zinc/20/81/77/535208177.db2.gz DILCSVQSQGKABX-UONOGXRCSA-N 2 1 325.478 1.576 20 0 EDADMP C[C@]1(C(N)=O)CCCCN1C/C=C\C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000588445376 539990487 /nfs/dbraw/zinc/99/04/87/539990487.db2.gz VZDJYDBEBXQPOU-BTFXCVNISA-N 2 1 336.480 1.002 20 0 EDADMP C[C@]1(C(N)=O)CCCC[NH+]1C/C=C\C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000588445376 539990490 /nfs/dbraw/zinc/99/04/90/539990490.db2.gz VZDJYDBEBXQPOU-BTFXCVNISA-N 2 1 336.480 1.002 20 0 EDADMP C[C@]1(C(N)=O)CCCC[NH+]1C/C=C\C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000588445376 539990492 /nfs/dbraw/zinc/99/04/92/539990492.db2.gz VZDJYDBEBXQPOU-BTFXCVNISA-N 2 1 336.480 1.002 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000562949521 306313400 /nfs/dbraw/zinc/31/34/00/306313400.db2.gz HRWJPDSZTWMGGU-HKUYNNGSSA-N 2 1 331.460 1.176 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc3c(c1)OCCO3)CC[NH2+]CC2 ZINC000562968934 306314085 /nfs/dbraw/zinc/31/40/85/306314085.db2.gz CAUNHRQQTKVMNM-CQSZACIVSA-N 2 1 345.443 1.860 20 0 EDADMP CCOc1cc(C[N@@H+](C)CCC[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000563130474 306319508 /nfs/dbraw/zinc/31/95/08/306319508.db2.gz YUUXLWKVYZLXOY-AWEZNQCLSA-N 2 1 337.464 1.721 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@H]2C1 ZINC000348586145 283086089 /nfs/dbraw/zinc/08/60/89/283086089.db2.gz DTFVBXYTKCBVMS-BZSNNMDCSA-N 2 1 335.492 1.715 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@H]2C1 ZINC000348586145 283086091 /nfs/dbraw/zinc/08/60/91/283086091.db2.gz DTFVBXYTKCBVMS-BZSNNMDCSA-N 2 1 335.492 1.715 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@H]2C1 ZINC000348586145 283086095 /nfs/dbraw/zinc/08/60/95/283086095.db2.gz DTFVBXYTKCBVMS-BZSNNMDCSA-N 2 1 335.492 1.715 20 0 EDADMP CC1(NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[NH2+]CC1 ZINC000563560758 306339104 /nfs/dbraw/zinc/33/91/04/306339104.db2.gz ZIVCEAOVONWDQJ-UHFFFAOYSA-N 2 1 346.475 1.460 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000079945339 138263147 /nfs/dbraw/zinc/26/31/47/138263147.db2.gz QLAFJVIXVBPEPO-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000079945339 138263148 /nfs/dbraw/zinc/26/31/48/138263148.db2.gz QLAFJVIXVBPEPO-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000079945339 138263149 /nfs/dbraw/zinc/26/31/49/138263149.db2.gz QLAFJVIXVBPEPO-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000079945339 138263150 /nfs/dbraw/zinc/26/31/50/138263150.db2.gz QLAFJVIXVBPEPO-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000563580474 306339602 /nfs/dbraw/zinc/33/96/02/306339602.db2.gz IXNNISIBRMANSK-HYVNUMGLSA-N 2 1 332.448 1.191 20 0 EDADMP NC(=O)c1cccnc1N1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000372459236 283387486 /nfs/dbraw/zinc/38/74/86/283387486.db2.gz AMEJMHUUIMCDOL-UHFFFAOYSA-N 2 1 345.491 1.569 20 0 EDADMP NC(=O)c1cccnc1N1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000372459236 283387488 /nfs/dbraw/zinc/38/74/88/283387488.db2.gz AMEJMHUUIMCDOL-UHFFFAOYSA-N 2 1 345.491 1.569 20 0 EDADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000564644909 306361796 /nfs/dbraw/zinc/36/17/96/306361796.db2.gz OREQVIJGDIEVDM-HZPDHXFCSA-N 2 1 331.464 1.516 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C[C@H]1c1cccc(F)c1 ZINC000564953102 306371210 /nfs/dbraw/zinc/37/12/10/306371210.db2.gz SHMBSJDAYLHQOZ-VHDGCEQUSA-N 2 1 343.406 1.193 20 0 EDADMP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1nccn1C ZINC000347256976 299351242 /nfs/dbraw/zinc/35/12/42/299351242.db2.gz AGJFGXDAGLOVSB-RDJZCZTQSA-N 2 1 343.475 1.360 20 0 EDADMP CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414703714 304130396 /nfs/dbraw/zinc/13/03/96/304130396.db2.gz MROMHLKLKKUAGS-OALUTQOASA-N 2 1 347.503 1.703 20 0 EDADMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414750098 304137241 /nfs/dbraw/zinc/13/72/41/304137241.db2.gz ZIVOCFIGXYTDME-ZWKOTPCHSA-N 2 1 344.503 1.785 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414794868 304141316 /nfs/dbraw/zinc/14/13/16/304141316.db2.gz GAAJLJQGYYCCQQ-AWEZNQCLSA-N 2 1 332.448 1.588 20 0 EDADMP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)CC1 ZINC000414830393 304145744 /nfs/dbraw/zinc/14/57/44/304145744.db2.gz AZEYYCGGIBTUNR-GDBMZVCRSA-N 2 1 341.496 1.530 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415118130 304161423 /nfs/dbraw/zinc/16/14/23/304161423.db2.gz DRMZKIBYGSBYAU-MRXNPFEDSA-N 2 1 329.404 1.361 20 0 EDADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cn1 ZINC000415132781 304162767 /nfs/dbraw/zinc/16/27/67/304162767.db2.gz UMILSUCLXXXLQU-KRWDZBQOSA-N 2 1 343.479 1.814 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000415139046 304163557 /nfs/dbraw/zinc/16/35/57/304163557.db2.gz HSKAIYYJPPGRHE-CZUORRHYSA-N 2 1 330.432 1.040 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415144730 304164256 /nfs/dbraw/zinc/16/42/56/304164256.db2.gz VUMNPXAXJZWJBK-SJORKVTESA-N 2 1 330.428 1.674 20 0 EDADMP CC(C)C[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000236629822 139027233 /nfs/dbraw/zinc/02/72/33/139027233.db2.gz DQSBJCOMPDWBEE-MSOLQXFVSA-N 2 1 333.476 1.940 20 0 EDADMP CC(C)C[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000236629150 139027313 /nfs/dbraw/zinc/02/73/13/139027313.db2.gz DEBNDCLALHLGQI-HQSKLWIPSA-N 2 1 337.508 1.770 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000236704552 139029218 /nfs/dbraw/zinc/02/92/18/139029218.db2.gz BLQZYQOUGYSUOJ-HLLBOEOZSA-N 2 1 325.497 1.852 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000236707883 139029311 /nfs/dbraw/zinc/02/93/11/139029311.db2.gz MTFONFCXJMJDMR-SFHVURJKSA-N 2 1 332.492 1.424 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000415191279 304173190 /nfs/dbraw/zinc/17/31/90/304173190.db2.gz GNFGSQQKEIJIOU-XJKSGUPXSA-N 2 1 346.475 1.881 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000415193635 304173573 /nfs/dbraw/zinc/17/35/73/304173573.db2.gz MJQQEOFCAMMIBB-SUMWQHHRSA-N 2 1 344.459 1.778 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000237758629 139059635 /nfs/dbraw/zinc/05/96/35/139059635.db2.gz RIIGXVILFMEYBE-INIZCTEOSA-N 2 1 339.386 1.034 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)NCC[N@@H+]1CCc2sccc2C1 ZINC000238053713 139067738 /nfs/dbraw/zinc/06/77/38/139067738.db2.gz PKKCISFKYXLZHH-CYBMUJFWSA-N 2 1 325.503 1.318 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)NCC[N@H+]1CCc2sccc2C1 ZINC000238053713 139067739 /nfs/dbraw/zinc/06/77/39/139067739.db2.gz PKKCISFKYXLZHH-CYBMUJFWSA-N 2 1 325.503 1.318 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000111855385 220209188 /nfs/dbraw/zinc/20/91/88/220209188.db2.gz LYQAGSXXYNTTKI-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP CC[NH+]1CCN(C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000243429094 139070535 /nfs/dbraw/zinc/07/05/35/139070535.db2.gz MYDPQSYCPVZUBR-UHFFFAOYSA-N 2 1 344.503 1.671 20 0 EDADMP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000245811123 139086720 /nfs/dbraw/zinc/08/67/20/139086720.db2.gz GRRNXCJIYLLYSV-TWMKSMIVSA-N 2 1 325.497 1.578 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000245811123 139086721 /nfs/dbraw/zinc/08/67/21/139086721.db2.gz GRRNXCJIYLLYSV-TWMKSMIVSA-N 2 1 325.497 1.578 20 0 EDADMP CC[NH+]1CC[C@H](CNC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000245811123 139086722 /nfs/dbraw/zinc/08/67/22/139086722.db2.gz GRRNXCJIYLLYSV-TWMKSMIVSA-N 2 1 325.497 1.578 20 0 EDADMP CC[NH+]1CC[C@H](CNC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000245811123 139086723 /nfs/dbraw/zinc/08/67/23/139086723.db2.gz GRRNXCJIYLLYSV-TWMKSMIVSA-N 2 1 325.497 1.578 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000246276369 139102047 /nfs/dbraw/zinc/10/20/47/139102047.db2.gz BCSPSZGTXWDMBW-VXIBKDFQSA-N 2 1 345.487 1.985 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CN1CCOc1ccccc1 ZINC000246519420 139111823 /nfs/dbraw/zinc/11/18/23/139111823.db2.gz UNRCLGMPXHQHHI-SQNIBIBYSA-N 2 1 343.471 1.883 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246794281 139121735 /nfs/dbraw/zinc/12/17/35/139121735.db2.gz QEMCNOAVPAYSDC-VVLHAWIVSA-N 2 1 337.508 1.865 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C)C1 ZINC000247083730 139134936 /nfs/dbraw/zinc/13/49/36/139134936.db2.gz OZZIQSBIYGPWEK-YOEHRIQHSA-N 2 1 339.505 1.757 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C)C1 ZINC000247083730 139134937 /nfs/dbraw/zinc/13/49/37/139134937.db2.gz OZZIQSBIYGPWEK-YOEHRIQHSA-N 2 1 339.505 1.757 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000247293574 139143816 /nfs/dbraw/zinc/14/38/16/139143816.db2.gz UGSRCLUPHMNLCF-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000247293574 139143817 /nfs/dbraw/zinc/14/38/17/139143817.db2.gz UGSRCLUPHMNLCF-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000247293574 139143818 /nfs/dbraw/zinc/14/38/18/139143818.db2.gz UGSRCLUPHMNLCF-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000247449305 139148950 /nfs/dbraw/zinc/14/89/50/139148950.db2.gz YWMQYJZHXZYCAA-RYQLBKOJSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000247449305 139148951 /nfs/dbraw/zinc/14/89/51/139148951.db2.gz YWMQYJZHXZYCAA-RYQLBKOJSA-N 2 1 331.460 1.473 20 0 EDADMP C[N@H+](CCC(=O)NC(N)=O)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821016 218172018 /nfs/dbraw/zinc/17/20/18/218172018.db2.gz PTPMORMLCGQCFD-UHFFFAOYSA-N 2 1 333.436 1.205 20 0 EDADMP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)(N2CCOCC2)C1 ZINC000248989356 139182530 /nfs/dbraw/zinc/18/25/30/139182530.db2.gz MYYLONNYAFOKOH-BKVYNOPKSA-N 2 1 339.524 1.576 20 0 EDADMP Cc1ccc2cc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)ccc2n1 ZINC000261661852 139215416 /nfs/dbraw/zinc/21/54/16/139215416.db2.gz KSBFVJQTKGCZJP-QGZVFWFLSA-N 2 1 326.444 1.830 20 0 EDADMP CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000261930651 139238044 /nfs/dbraw/zinc/23/80/44/139238044.db2.gz LNLFMJSOEWCMIZ-CABCVRRESA-N 2 1 335.452 1.054 20 0 EDADMP CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000261930651 139238045 /nfs/dbraw/zinc/23/80/45/139238045.db2.gz LNLFMJSOEWCMIZ-CABCVRRESA-N 2 1 335.452 1.054 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N(C)C1CC[NH2+]CC1)[NH+](C)C ZINC000416831656 251112179 /nfs/dbraw/zinc/11/21/79/251112179.db2.gz HSVKDGHGGZWWCS-INIZCTEOSA-N 2 1 334.464 1.691 20 0 EDADMP CN(CC(C)(C)C[NH3+])C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416873692 251114454 /nfs/dbraw/zinc/11/44/54/251114454.db2.gz DOBQWJXNUQGVEA-UHFFFAOYSA-N 2 1 348.491 1.645 20 0 EDADMP CC[C@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417008346 251128959 /nfs/dbraw/zinc/12/89/59/251128959.db2.gz IMINDCBLCQHOOR-QZTJIDSGSA-N 2 1 346.475 1.192 20 0 EDADMP [NH3+][C@H]1CCC[C@H](CNC(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417012309 251130690 /nfs/dbraw/zinc/13/06/90/251130690.db2.gz WWZHQRDUGZFRSQ-YJBOKZPZSA-N 2 1 330.476 1.861 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@H]1C[NH2+]CCCO1 ZINC000417015262 251132395 /nfs/dbraw/zinc/13/23/95/251132395.db2.gz FHPQRHLWZCLGIA-GOSISDBHSA-N 2 1 346.475 1.113 20 0 EDADMP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417019385 251134664 /nfs/dbraw/zinc/13/46/64/251134664.db2.gz ISGKSCKATXQRGU-AEFFLSMTSA-N 2 1 330.476 1.861 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417019386 251134895 /nfs/dbraw/zinc/13/48/95/251134895.db2.gz ISGKSCKATXQRGU-FUHWJXTLSA-N 2 1 330.476 1.861 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262325737 139270476 /nfs/dbraw/zinc/27/04/76/139270476.db2.gz DLQDPECTABCMQI-OHQAAIJDSA-N 2 1 345.487 1.504 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417204266 251146372 /nfs/dbraw/zinc/14/63/72/251146372.db2.gz ZZTGRKXWZJLUHY-FUHWJXTLSA-N 2 1 336.455 1.502 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000262344014 139271871 /nfs/dbraw/zinc/27/18/71/139271871.db2.gz HKNRRKWGIUSNKO-CUSZFKRNSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@H]1C[C@@H](C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]1 ZINC000262385811 139275290 /nfs/dbraw/zinc/27/52/90/139275290.db2.gz MBINHZMRINZJET-QRTARXTBSA-N 2 1 344.459 1.463 20 0 EDADMP C[C@H]1C[C@@H](C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC[NH2+]1 ZINC000262385811 139275291 /nfs/dbraw/zinc/27/52/91/139275291.db2.gz MBINHZMRINZJET-QRTARXTBSA-N 2 1 344.459 1.463 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417657490 251215926 /nfs/dbraw/zinc/21/59/26/251215926.db2.gz WDUNDOZOFYXGPH-FGTMMUONSA-N 2 1 328.460 1.512 20 0 EDADMP Cc1ccc(NC(=O)[C@@H](C)C[NH3+])cc1NC(=O)C[NH+]1CCCCC1 ZINC000262411505 139277174 /nfs/dbraw/zinc/27/71/74/139277174.db2.gz QPOUSHGFSFFLPG-AWEZNQCLSA-N 2 1 332.448 1.953 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000417751091 251253962 /nfs/dbraw/zinc/25/39/62/251253962.db2.gz LBFXOAZZESKFHB-CVEARBPZSA-N 2 1 327.517 1.077 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000417753048 251255594 /nfs/dbraw/zinc/25/55/94/251255594.db2.gz NVIGWSJWKRWQIB-HZPDHXFCSA-N 2 1 347.507 1.389 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)CCCN1CCC([NH3+])CC1 ZINC000417827740 251287224 /nfs/dbraw/zinc/28/72/24/251287224.db2.gz FZVMJGWNROHAGT-GOSISDBHSA-N 2 1 332.492 1.568 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NC[C@H]([NH3+])C(C)C)CC2)nc(C)[nH+]1 ZINC000417828835 251288169 /nfs/dbraw/zinc/28/81/69/251288169.db2.gz HWTGSTPJRDCZHW-HNNXBMFYSA-N 2 1 334.468 1.345 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH2+]C[C@H]1C ZINC000417816057 251281540 /nfs/dbraw/zinc/28/15/40/251281540.db2.gz BZKYFBJIIMECEF-JFIYKMOQSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC000417880111 251311124 /nfs/dbraw/zinc/31/11/24/251311124.db2.gz SLOKPBBSLZPRFX-HPBDAGMYSA-N 2 1 328.460 1.653 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC[C@@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000418079760 251321404 /nfs/dbraw/zinc/32/14/04/251321404.db2.gz RFJRJCYIULPVLF-ZDUSSCGKSA-N 2 1 338.418 1.950 20 0 EDADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)N1CCC[NH2+]CC1 ZINC000418077003 251321607 /nfs/dbraw/zinc/32/16/07/251321607.db2.gz KQPMVYKAHJOVFP-QGZVFWFLSA-N 2 1 348.516 1.609 20 0 EDADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)N1CCC[NH2+]CC1 ZINC000418077003 251321611 /nfs/dbraw/zinc/32/16/11/251321611.db2.gz KQPMVYKAHJOVFP-QGZVFWFLSA-N 2 1 348.516 1.609 20 0 EDADMP CN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000418105837 251322328 /nfs/dbraw/zinc/32/23/28/251322328.db2.gz MDEUWBCUIORHHW-KRWDZBQOSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)NCc2c[nH+]c(N(C)C)n2C)cc1 ZINC000417855566 251298488 /nfs/dbraw/zinc/29/84/88/251298488.db2.gz VKXWHCHFRDQUDA-LBPRGKRZSA-N 2 1 330.436 1.505 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000418193648 251353202 /nfs/dbraw/zinc/35/32/02/251353202.db2.gz CLXGYRBUTIBBTA-UAGQMJEPSA-N 2 1 340.512 1.643 20 0 EDADMP C[C@@H](NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000418713799 251393160 /nfs/dbraw/zinc/39/31/60/251393160.db2.gz YFNWTNUJJRXLLG-DLBZAZTESA-N 2 1 347.507 1.181 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1CCOC ZINC000418680167 251383790 /nfs/dbraw/zinc/38/37/90/251383790.db2.gz FQUUNRLIMJZUDZ-BRWVUGGUSA-N 2 1 340.512 1.504 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[NH2+]CC3CC3)cc2)C1 ZINC000262632140 139291585 /nfs/dbraw/zinc/29/15/85/139291585.db2.gz FPXFSJWYNBTOKD-INIZCTEOSA-N 2 1 344.459 1.322 20 0 EDADMP [NH3+][C@@H]1CC[C@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000262632272 139291628 /nfs/dbraw/zinc/29/16/28/139291628.db2.gz FVEKKQLCODULNP-GOEBONIOSA-N 2 1 334.439 1.191 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000262642277 139292530 /nfs/dbraw/zinc/29/25/30/139292530.db2.gz LOOPJEHEDAGHGR-DOTOQJQBSA-N 2 1 332.492 1.687 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)cs1 ZINC000262710166 139297944 /nfs/dbraw/zinc/29/79/44/139297944.db2.gz CKKBNUFNJHSGQM-LRDDRELGSA-N 2 1 336.505 1.778 20 0 EDADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCCNc2ccc(C)c[nH+]2)C1(C)C ZINC000262793268 139304075 /nfs/dbraw/zinc/30/40/75/139304075.db2.gz OWRJTBGHMFIXNB-KBXCAEBGSA-N 2 1 334.464 1.841 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262805497 139304942 /nfs/dbraw/zinc/30/49/42/139304942.db2.gz PQTOLHVCJSQISD-DZGCQCFKSA-N 2 1 330.436 1.379 20 0 EDADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422901720 252017023 /nfs/dbraw/zinc/01/70/23/252017023.db2.gz LUGLORYKLONNDA-HOTGVXAUSA-N 2 1 325.478 1.685 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000423783127 252072326 /nfs/dbraw/zinc/07/23/26/252072326.db2.gz JJAKJAPAGGJBOX-GJZGRUSLSA-N 2 1 339.480 1.108 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422904303 252018677 /nfs/dbraw/zinc/01/86/77/252018677.db2.gz GSOBWWSSWNYIFS-JWTNVVGKSA-N 3 1 330.476 1.351 20 0 EDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422906701 252018740 /nfs/dbraw/zinc/01/87/40/252018740.db2.gz AGEWJFFOYCLQSZ-ROUUACIJSA-N 3 1 330.476 1.482 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423840050 252087239 /nfs/dbraw/zinc/08/72/39/252087239.db2.gz YNBIHWREIQDVRH-DFBGVHRSSA-N 2 1 325.815 1.950 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000423792806 252077845 /nfs/dbraw/zinc/07/78/45/252077845.db2.gz VZXHJUDYNFJKPE-PMPSAXMXSA-N 2 1 339.480 1.108 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000423793639 252078059 /nfs/dbraw/zinc/07/80/59/252078059.db2.gz IWJBAWFOQBUGEX-RYQLBKOJSA-N 2 1 330.476 1.750 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000423795940 252079958 /nfs/dbraw/zinc/07/99/58/252079958.db2.gz KYZNPJWSXXPWDW-HKUYNNGSSA-N 2 1 330.476 1.752 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000423798159 252080003 /nfs/dbraw/zinc/08/00/03/252080003.db2.gz OFPTZQVHQMWYES-CVEARBPZSA-N 2 1 325.497 1.711 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000423799902 252081035 /nfs/dbraw/zinc/08/10/35/252081035.db2.gz QVEZFKLQVVYAEO-HKUYNNGSSA-N 2 1 330.476 1.894 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000423799938 252081477 /nfs/dbraw/zinc/08/14/77/252081477.db2.gz KYJBVRSIPNKNRE-HUUCEWRRSA-N 2 1 334.468 1.053 20 0 EDADMP C[C@H]([NH3+])CCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262917166 139312626 /nfs/dbraw/zinc/31/26/26/139312626.db2.gz ZBFSCCYRPSHSCN-DZGCQCFKSA-N 2 1 332.448 1.450 20 0 EDADMP Cn1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c([C@H]2CCC[NH2+]C2)n1 ZINC000424132965 252136307 /nfs/dbraw/zinc/13/63/07/252136307.db2.gz LNGQWROAQDFFHA-IMJJTQAJSA-N 2 1 331.464 1.244 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000262959559 139315313 /nfs/dbraw/zinc/31/53/13/139315313.db2.gz WJCQPPJJYXWVBD-KBAYOESNSA-N 2 1 330.476 1.232 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)c1 ZINC000424469567 252241825 /nfs/dbraw/zinc/24/18/25/252241825.db2.gz QJPNWFOZVBFJNI-UHFFFAOYSA-N 2 1 330.432 1.160 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000424446841 252234525 /nfs/dbraw/zinc/23/45/25/252234525.db2.gz JUCQURZAPGGMBO-MQVJKMGUSA-N 2 1 330.432 1.134 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1 ZINC000458377718 285032938 /nfs/dbraw/zinc/03/29/38/285032938.db2.gz WJFIAUHIRLDLSI-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000458377718 285032939 /nfs/dbraw/zinc/03/29/39/285032939.db2.gz WJFIAUHIRLDLSI-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000458377718 285032940 /nfs/dbraw/zinc/03/29/40/285032940.db2.gz WJFIAUHIRLDLSI-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C[C@H](C)O1 ZINC000263161342 139325738 /nfs/dbraw/zinc/32/57/38/139325738.db2.gz DVECLYDNGBUDBR-JTOWHCCKSA-N 2 1 325.497 1.898 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C[C@H](C)O1 ZINC000263161342 139325739 /nfs/dbraw/zinc/32/57/39/139325739.db2.gz DVECLYDNGBUDBR-JTOWHCCKSA-N 2 1 325.497 1.898 20 0 EDADMP CC(C)CS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000263685497 139352755 /nfs/dbraw/zinc/35/27/55/139352755.db2.gz NOYBPPUUOIOKNO-UHFFFAOYSA-N 2 1 340.493 1.169 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000493969615 255228850 /nfs/dbraw/zinc/22/88/50/255228850.db2.gz OSVDMHMNKWWDSQ-QWHCGFSZSA-N 2 1 345.447 1.359 20 0 EDADMP C[NH+](C)C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000495193501 255272510 /nfs/dbraw/zinc/27/25/10/255272510.db2.gz WJZFRHLVPADOPU-JALIKCBVSA-N 2 1 327.469 1.429 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000495185500 255271559 /nfs/dbraw/zinc/27/15/59/255271559.db2.gz UBFXVZYYCZEOAI-HUUCEWRRSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000495185500 255271560 /nfs/dbraw/zinc/27/15/60/255271560.db2.gz UBFXVZYYCZEOAI-HUUCEWRRSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000495185500 255271561 /nfs/dbraw/zinc/27/15/61/255271561.db2.gz UBFXVZYYCZEOAI-HUUCEWRRSA-N 2 1 336.480 1.118 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]1CO)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000118400594 221146068 /nfs/dbraw/zinc/14/60/68/221146068.db2.gz IXNIAMBGHYFJGF-KRWDZBQOSA-N 2 1 349.500 1.631 20 0 EDADMP O=C(C[N@@H+]1CCC[C@H]1CO)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000118400594 221146070 /nfs/dbraw/zinc/14/60/70/221146070.db2.gz IXNIAMBGHYFJGF-KRWDZBQOSA-N 2 1 349.500 1.631 20 0 EDADMP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)C[C@@H]1[NH3+] ZINC000415835965 304279458 /nfs/dbraw/zinc/27/94/58/304279458.db2.gz WTBCZXQURHMTQS-DYVFJYSZSA-N 2 1 344.459 1.067 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)COc2ccccc2)CC1 ZINC000264309098 139395884 /nfs/dbraw/zinc/39/58/84/139395884.db2.gz ZLUUCFBWDZDXNO-SJLPKXTDSA-N 2 1 336.476 1.451 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000353743307 285396950 /nfs/dbraw/zinc/39/69/50/285396950.db2.gz CJRPGYNNRWBCMQ-AEFFLSMTSA-N 2 1 346.523 1.533 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000353743307 285396951 /nfs/dbraw/zinc/39/69/51/285396951.db2.gz CJRPGYNNRWBCMQ-AEFFLSMTSA-N 2 1 346.523 1.533 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000415909272 304284695 /nfs/dbraw/zinc/28/46/95/304284695.db2.gz SQAHTJAQFFHJSN-QAPCUYQASA-N 2 1 346.475 1.981 20 0 EDADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416239122 304299497 /nfs/dbraw/zinc/29/94/97/304299497.db2.gz JYIVGVINQAISKV-NXHRZFHOSA-N 2 1 333.476 1.593 20 0 EDADMP CO[C@@H](CC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(F)(F)F ZINC000344802018 285589058 /nfs/dbraw/zinc/58/90/58/285589058.db2.gz XRAPEZQPZOGFDO-ZDUSSCGKSA-N 2 1 347.385 1.285 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)c1cccc(F)c1 ZINC000272043356 140391834 /nfs/dbraw/zinc/39/18/34/140391834.db2.gz DUIVBQSJWSEAQX-QGZVFWFLSA-N 2 1 334.439 1.990 20 0 EDADMP NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000331352409 141010548 /nfs/dbraw/zinc/01/05/48/141010548.db2.gz OPWWAHJKDLGKDR-KRWDZBQOSA-N 2 1 337.489 1.535 20 0 EDADMP NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000331352409 141010549 /nfs/dbraw/zinc/01/05/49/141010549.db2.gz OPWWAHJKDLGKDR-KRWDZBQOSA-N 2 1 337.489 1.535 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)nc(C)[nH+]1 ZINC000332089847 141121070 /nfs/dbraw/zinc/12/10/70/141121070.db2.gz UUKQZOGVEPVLHZ-GOEBONIOSA-N 2 1 346.479 1.631 20 0 EDADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000332548199 141201102 /nfs/dbraw/zinc/20/11/02/141201102.db2.gz DMPRBXVNCHUONZ-KGLIPLIRSA-N 2 1 336.484 1.406 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000332548199 141201103 /nfs/dbraw/zinc/20/11/03/141201103.db2.gz DMPRBXVNCHUONZ-KGLIPLIRSA-N 2 1 336.484 1.406 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)n1C ZINC000333125640 141268214 /nfs/dbraw/zinc/26/82/14/141268214.db2.gz BBSSPKIRIZGLAZ-AWEZNQCLSA-N 2 1 334.468 1.017 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[N@H+]1Cc1ccccc1 ZINC000333136165 141270058 /nfs/dbraw/zinc/27/00/58/141270058.db2.gz CIBCIHUWRRZHCL-WBVHZDCISA-N 2 1 344.459 1.033 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n1C ZINC000333288657 141293339 /nfs/dbraw/zinc/29/33/39/141293339.db2.gz QZZGRKBQFHOFLL-OAHLLOKOSA-N 2 1 348.495 1.646 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000333455122 141319654 /nfs/dbraw/zinc/31/96/54/141319654.db2.gz YCZWSAWQPISMFM-OAGGEKHMSA-N 2 1 340.512 1.658 20 0 EDADMP Cc1cnccc1OC1CCN(CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000333573098 141339056 /nfs/dbraw/zinc/33/90/56/141339056.db2.gz IWTHIHAKAIANBJ-ZDUSSCGKSA-N 2 1 332.404 1.174 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NC(=O)Nc1ccccc1)CC[NH2+]CC2 ZINC000333587856 141341141 /nfs/dbraw/zinc/34/11/41/141341141.db2.gz OQIYLYIMXIYNJH-CQSZACIVSA-N 2 1 330.432 1.799 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000333806192 141385125 /nfs/dbraw/zinc/38/51/25/141385125.db2.gz IOIAFQBNYFEIGN-VYDXJSESSA-N 2 1 338.496 1.399 20 0 EDADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCN3C(=O)N[C@H](C)C3=O)C1)CCCC2 ZINC000333812887 141386456 /nfs/dbraw/zinc/38/64/56/141386456.db2.gz HECRGMDTCCFURB-TZMCWYRMSA-N 2 1 345.447 1.257 20 0 EDADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCN3C(=O)N[C@H](C)C3=O)C1)CCCC2 ZINC000333812887 141386457 /nfs/dbraw/zinc/38/64/57/141386457.db2.gz HECRGMDTCCFURB-TZMCWYRMSA-N 2 1 345.447 1.257 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000339847906 142176377 /nfs/dbraw/zinc/17/63/77/142176377.db2.gz LFQZRQPXKCABSF-OAHLLOKOSA-N 2 1 327.517 1.042 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000339847906 142176379 /nfs/dbraw/zinc/17/63/79/142176379.db2.gz LFQZRQPXKCABSF-OAHLLOKOSA-N 2 1 327.517 1.042 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000339847906 142176380 /nfs/dbraw/zinc/17/63/80/142176380.db2.gz LFQZRQPXKCABSF-OAHLLOKOSA-N 2 1 327.517 1.042 20 0 EDADMP CCOCCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340367895 142361723 /nfs/dbraw/zinc/36/17/23/142361723.db2.gz XRBHKPYDJOHNEL-OTWHNJEPSA-N 2 1 336.476 1.826 20 0 EDADMP CCOCCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340367895 142361725 /nfs/dbraw/zinc/36/17/25/142361725.db2.gz XRBHKPYDJOHNEL-OTWHNJEPSA-N 2 1 336.476 1.826 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NCc2ccc(C[NH+](C)C)cc2)[N@@H+](C)C1 ZINC000346007920 143156806 /nfs/dbraw/zinc/15/68/06/143156806.db2.gz IHDBEOWTAUGLIA-MSOLQXFVSA-N 2 1 348.491 1.609 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000346082668 143165764 /nfs/dbraw/zinc/16/57/64/143165764.db2.gz IHNNUKFOMCYRPK-MRXNPFEDSA-N 2 1 333.476 1.470 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000346082668 143165765 /nfs/dbraw/zinc/16/57/65/143165765.db2.gz IHNNUKFOMCYRPK-MRXNPFEDSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCOCC[NH+](C)C ZINC000346163216 143174024 /nfs/dbraw/zinc/17/40/24/143174024.db2.gz LHWQVTTXLKIUNX-WMZOPIPTSA-N 2 1 333.476 1.449 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000346592604 143219962 /nfs/dbraw/zinc/21/99/62/143219962.db2.gz MYZXGXOKKQOWIK-CRAIPNDOSA-N 2 1 331.460 1.589 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000346592604 143219963 /nfs/dbraw/zinc/21/99/63/143219963.db2.gz MYZXGXOKKQOWIK-CRAIPNDOSA-N 2 1 331.460 1.589 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2csc(C3CC3)n2)C1)N1CC[NH2+]CC1 ZINC000347019941 143272363 /nfs/dbraw/zinc/27/23/63/143272363.db2.gz MIQOTQOYVWUDNV-CQSZACIVSA-N 2 1 334.489 1.664 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1)N1CC[NH2+]CC1 ZINC000347019941 143272364 /nfs/dbraw/zinc/27/23/64/143272364.db2.gz MIQOTQOYVWUDNV-CQSZACIVSA-N 2 1 334.489 1.664 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000347034258 143274326 /nfs/dbraw/zinc/27/43/26/143274326.db2.gz CMQAEXSJBLSWTQ-NEWSRXKRSA-N 2 1 332.492 1.338 20 0 EDADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000347034258 143274327 /nfs/dbraw/zinc/27/43/27/143274327.db2.gz CMQAEXSJBLSWTQ-NEWSRXKRSA-N 2 1 332.492 1.338 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000347048704 143276339 /nfs/dbraw/zinc/27/63/39/143276339.db2.gz QRFVSPQQQINIAI-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000347048704 143276340 /nfs/dbraw/zinc/27/63/40/143276340.db2.gz QRFVSPQQQINIAI-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000347048704 143276341 /nfs/dbraw/zinc/27/63/41/143276341.db2.gz QRFVSPQQQINIAI-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP CCOCc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1OC ZINC000347061102 143277624 /nfs/dbraw/zinc/27/76/24/143277624.db2.gz YLEKQRWANHTGEH-MRXNPFEDSA-N 2 1 349.475 1.519 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000347061670 143277735 /nfs/dbraw/zinc/27/77/35/143277735.db2.gz BMEAKELVMWKGRE-IRXDYDNUSA-N 2 1 334.464 1.309 20 0 EDADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000347147263 143287655 /nfs/dbraw/zinc/28/76/55/143287655.db2.gz MOIVXMUTRSTJEK-HZPDHXFCSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1nccn1C ZINC000347256977 143300992 /nfs/dbraw/zinc/30/09/92/143300992.db2.gz AGJFGXDAGLOVSB-WBVHZDCISA-N 2 1 343.475 1.360 20 0 EDADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCC[NH+]1CCOCC1 ZINC000347350519 143311672 /nfs/dbraw/zinc/31/16/72/143311672.db2.gz WQMAIQDDXQDCKE-KSZLIROESA-N 2 1 339.524 1.972 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCC[NH+]1CCOCC1 ZINC000347350519 143311673 /nfs/dbraw/zinc/31/16/73/143311673.db2.gz WQMAIQDDXQDCKE-KSZLIROESA-N 2 1 339.524 1.972 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)C[N@@H+](C)[C@@H]2CCSC2)C[C@@H](C)O1 ZINC000347426287 143319516 /nfs/dbraw/zinc/31/95/16/143319516.db2.gz KZXSQDXPTHKCLP-BZUAXINKSA-N 2 1 343.537 1.429 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1)C[NH+]1CCCCC1 ZINC000347492453 143328282 /nfs/dbraw/zinc/32/82/82/143328282.db2.gz DBXMPEZTOITFDU-HZPDHXFCSA-N 2 1 333.480 1.867 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)[NH+](C)C1 ZINC000347582576 143337416 /nfs/dbraw/zinc/33/74/16/143337416.db2.gz FZPUZFPTSQCTQE-JJXSEGSLSA-N 2 1 326.485 1.076 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)[N@H+](C)C1 ZINC000347582576 143337417 /nfs/dbraw/zinc/33/74/17/143337417.db2.gz FZPUZFPTSQCTQE-JJXSEGSLSA-N 2 1 326.485 1.076 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)[N@@H+](C)C1 ZINC000347582576 143337418 /nfs/dbraw/zinc/33/74/18/143337418.db2.gz FZPUZFPTSQCTQE-JJXSEGSLSA-N 2 1 326.485 1.076 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000416788018 304349094 /nfs/dbraw/zinc/34/90/94/304349094.db2.gz HKNTWRFJUNXQDZ-IRXDYDNUSA-N 2 1 338.496 1.272 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000417670867 286060624 /nfs/dbraw/zinc/06/06/24/286060624.db2.gz OYGNMNFCRYVZMC-JJXSEGSLSA-N 2 1 326.485 1.112 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000416867482 304353058 /nfs/dbraw/zinc/35/30/58/304353058.db2.gz LIWQMJZGDGEOHH-BZUAXINKSA-N 2 1 326.485 1.160 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000353672880 149484411 /nfs/dbraw/zinc/48/44/11/149484411.db2.gz ASPIYKFXWRLTFI-ZMSDIMECSA-N 2 1 333.480 1.082 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000355182731 150156992 /nfs/dbraw/zinc/15/69/92/150156992.db2.gz FCBWQGCXOCMRSE-KRWDZBQOSA-N 2 1 345.491 1.461 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417027668 304362167 /nfs/dbraw/zinc/36/21/67/304362167.db2.gz UFSXLLSNCLLIRW-QZTJIDSGSA-N 2 1 347.507 1.402 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000417027668 304362168 /nfs/dbraw/zinc/36/21/68/304362168.db2.gz UFSXLLSNCLLIRW-QZTJIDSGSA-N 2 1 347.507 1.402 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000417027668 304362170 /nfs/dbraw/zinc/36/21/70/304362170.db2.gz UFSXLLSNCLLIRW-QZTJIDSGSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000417030227 304362628 /nfs/dbraw/zinc/36/26/28/304362628.db2.gz AMASPQRASKJUGX-FUHWJXTLSA-N 2 1 345.491 1.330 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000357390088 151016184 /nfs/dbraw/zinc/01/61/84/151016184.db2.gz KLINHHUKXYUFHF-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000357390088 151016185 /nfs/dbraw/zinc/01/61/85/151016185.db2.gz KLINHHUKXYUFHF-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000357638498 151095787 /nfs/dbraw/zinc/09/57/87/151095787.db2.gz SOVCKBSAGDTZTL-IXDOHACOSA-N 2 1 339.524 1.943 20 0 EDADMP C[NH+](C)CCC1CC[NH+](CC(=O)NCC(=O)c2cccs2)CC1 ZINC000357875727 151180766 /nfs/dbraw/zinc/18/07/66/151180766.db2.gz XIZMIJBHHRTTAE-UHFFFAOYSA-N 2 1 337.489 1.711 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCC(=O)N(C)C ZINC000358002550 151231071 /nfs/dbraw/zinc/23/10/71/151231071.db2.gz GNNJHAYDLNQTBN-GOEBONIOSA-N 2 1 349.475 1.592 20 0 EDADMP C[C@H](NC(=O)NCCNc1cc[nH+]cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358111338 151274975 /nfs/dbraw/zinc/27/49/75/151274975.db2.gz LPDUAXKZZKKSQR-JKSUJKDBSA-N 2 1 345.491 1.868 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000358277510 151324303 /nfs/dbraw/zinc/32/43/03/151324303.db2.gz KPVYQRCMJQJNEQ-HUUCEWRRSA-N 2 1 349.479 1.409 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@H]1C ZINC000358449366 151380379 /nfs/dbraw/zinc/38/03/79/151380379.db2.gz MJXOIUUJSOUTMK-HUUCEWRRSA-N 2 1 334.464 1.577 20 0 EDADMP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1OC ZINC000360572830 152103815 /nfs/dbraw/zinc/10/38/15/152103815.db2.gz MPVFCOBCPCFYPV-KBPBESRZSA-N 2 1 334.420 1.503 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000360789564 152205765 /nfs/dbraw/zinc/20/57/65/152205765.db2.gz VOXDIKZGISYEEO-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)C[C@@H]1C ZINC000360796427 152208455 /nfs/dbraw/zinc/20/84/55/152208455.db2.gz GKMXSDOUTLHIQX-HRCADAONSA-N 2 1 328.501 1.203 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1 ZINC000360803037 152212200 /nfs/dbraw/zinc/21/22/00/152212200.db2.gz UKUXZCKOMFAEKE-ARFHVFGLSA-N 2 1 328.501 1.203 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000360803037 152212201 /nfs/dbraw/zinc/21/22/01/152212201.db2.gz UKUXZCKOMFAEKE-ARFHVFGLSA-N 2 1 328.501 1.203 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000360803037 152212202 /nfs/dbraw/zinc/21/22/02/152212202.db2.gz UKUXZCKOMFAEKE-ARFHVFGLSA-N 2 1 328.501 1.203 20 0 EDADMP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000360897792 152245619 /nfs/dbraw/zinc/24/56/19/152245619.db2.gz OUGOEMFHRYZGHT-QFBILLFUSA-N 2 1 344.503 1.785 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000361000598 152275951 /nfs/dbraw/zinc/27/59/51/152275951.db2.gz YYRSFSSKUFZXMD-NZSAHSFTSA-N 2 1 342.487 1.013 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000361000598 152275953 /nfs/dbraw/zinc/27/59/53/152275953.db2.gz YYRSFSSKUFZXMD-NZSAHSFTSA-N 2 1 342.487 1.013 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000361000598 152275956 /nfs/dbraw/zinc/27/59/56/152275956.db2.gz YYRSFSSKUFZXMD-NZSAHSFTSA-N 2 1 342.487 1.013 20 0 EDADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)COC2 ZINC000361184907 152328955 /nfs/dbraw/zinc/32/89/55/152328955.db2.gz ZOADWPLQRCHOOY-HOCLYGCPSA-N 2 1 331.460 1.955 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000361215084 152337542 /nfs/dbraw/zinc/33/75/42/152337542.db2.gz MHNVVCHTRXMELM-IBGZPJMESA-N 2 1 342.487 1.289 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000361271348 152349975 /nfs/dbraw/zinc/34/99/75/152349975.db2.gz LFTYELOTTFJCAJ-CVEARBPZSA-N 2 1 335.452 1.086 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000361271348 152349977 /nfs/dbraw/zinc/34/99/77/152349977.db2.gz LFTYELOTTFJCAJ-CVEARBPZSA-N 2 1 335.452 1.086 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000361407004 152385547 /nfs/dbraw/zinc/38/55/47/152385547.db2.gz XKEYCVSOKARYAP-DLBZAZTESA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](NC(=O)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000361428149 152391911 /nfs/dbraw/zinc/39/19/11/152391911.db2.gz AQOGKJIGFGZHHS-HKUYNNGSSA-N 2 1 344.503 1.576 20 0 EDADMP CCC[NH+]1CCN(C2CC[NH+](CCS(=O)(=O)C(C)C)CC2)CC1 ZINC000370167376 155359825 /nfs/dbraw/zinc/35/98/25/155359825.db2.gz NORUVLJSXYKGRI-UHFFFAOYSA-N 2 1 345.553 1.302 20 0 EDADMP CC[NH2+]CCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417169860 304380419 /nfs/dbraw/zinc/38/04/19/304380419.db2.gz IGRSOSMFFMLMOR-UHFFFAOYSA-N 2 1 340.418 1.838 20 0 EDADMP O=C(NCCC[NH2+]C1CC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417169333 304380423 /nfs/dbraw/zinc/38/04/23/304380423.db2.gz DEALDEBQCUNDBK-UHFFFAOYSA-N 2 1 346.475 1.460 20 0 EDADMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000363798581 153060197 /nfs/dbraw/zinc/06/01/97/153060197.db2.gz JKRFTPBFOXEPEP-UHFFFAOYSA-N 2 1 344.503 1.975 20 0 EDADMP CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000364206980 153172394 /nfs/dbraw/zinc/17/23/94/153172394.db2.gz MOGIQBQLCKPBBS-QGZVFWFLSA-N 2 1 344.459 1.543 20 0 EDADMP CC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000364206980 153172396 /nfs/dbraw/zinc/17/23/96/153172396.db2.gz MOGIQBQLCKPBBS-QGZVFWFLSA-N 2 1 344.459 1.543 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364214451 153176690 /nfs/dbraw/zinc/17/66/90/153176690.db2.gz LCVTYCFRYQEHFK-IEBWSBKVSA-N 2 1 329.444 1.499 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000364382885 153221857 /nfs/dbraw/zinc/22/18/57/153221857.db2.gz POLGGRGPBLJDKR-UKRRQHHQSA-N 2 1 348.472 1.799 20 0 EDADMP O[C@H]1C[N@@H+](Cc2ccccc2C[NH+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000364441406 153237969 /nfs/dbraw/zinc/23/79/69/153237969.db2.gz DXZQISCSQYHKIH-HDICACEKSA-N 2 1 328.456 1.600 20 0 EDADMP O[C@H]1C[NH+](Cc2ccccc2C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000364441406 153237972 /nfs/dbraw/zinc/23/79/72/153237972.db2.gz DXZQISCSQYHKIH-HDICACEKSA-N 2 1 328.456 1.600 20 0 EDADMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000364661134 153296847 /nfs/dbraw/zinc/29/68/47/153296847.db2.gz JCNGTECZCKUIKQ-OAGGEKHMSA-N 2 1 333.480 1.816 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000364661134 153296848 /nfs/dbraw/zinc/29/68/48/153296848.db2.gz JCNGTECZCKUIKQ-OAGGEKHMSA-N 2 1 333.480 1.816 20 0 EDADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000364839249 153347662 /nfs/dbraw/zinc/34/76/62/153347662.db2.gz IRLGJZWHNOGLMM-OAHLLOKOSA-N 2 1 326.466 1.082 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000364839249 153347665 /nfs/dbraw/zinc/34/76/65/153347665.db2.gz IRLGJZWHNOGLMM-OAHLLOKOSA-N 2 1 326.466 1.082 20 0 EDADMP C[C@@H]1CCC[C@](CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)([NH+](C)C)C1 ZINC000417210396 304384700 /nfs/dbraw/zinc/38/47/00/304384700.db2.gz DMFSGCRTNYRBGV-OIISXLGYSA-N 2 1 328.476 1.840 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000417240115 304387056 /nfs/dbraw/zinc/38/70/56/304387056.db2.gz PDRRUBKSVRAVAR-HRCADAONSA-N 2 1 340.512 1.645 20 0 EDADMP COC[C@@]1(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417241442 304387329 /nfs/dbraw/zinc/38/73/29/304387329.db2.gz RMOCDDMAJIJFEM-QAPCUYQASA-N 2 1 340.512 1.565 20 0 EDADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367911873 154322817 /nfs/dbraw/zinc/32/28/17/154322817.db2.gz ZZKPEPSIKGNEIL-AWEZNQCLSA-N 2 1 347.463 1.464 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCN(C)[C@@H](c3nccn3C)C2)CC1 ZINC000369498544 155060944 /nfs/dbraw/zinc/06/09/44/155060944.db2.gz BYMUFFSHPBSZMW-GOSISDBHSA-N 2 1 348.539 1.125 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000369575037 155093771 /nfs/dbraw/zinc/09/37/71/155093771.db2.gz DMWVVBUQBCTMLI-DLBZAZTESA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000369575037 155093773 /nfs/dbraw/zinc/09/37/73/155093773.db2.gz DMWVVBUQBCTMLI-DLBZAZTESA-N 2 1 338.496 1.223 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000369657560 155123157 /nfs/dbraw/zinc/12/31/57/155123157.db2.gz NYJCWGBDPKDQIR-UHFFFAOYSA-N 2 1 340.512 1.472 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N(C)C1C[NH2+]C1)c1ccccc1 ZINC000417487925 304399931 /nfs/dbraw/zinc/39/99/31/304399931.db2.gz BSCXSPBRKWRCMW-KRWDZBQOSA-N 2 1 334.464 1.309 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CN3CCCC[C@H]3CO2)C1 ZINC000372341782 156344891 /nfs/dbraw/zinc/34/48/91/156344891.db2.gz IWMMNFWQHWPXHW-IKGGRYGDSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000372341782 156344894 /nfs/dbraw/zinc/34/48/94/156344894.db2.gz IWMMNFWQHWPXHW-IKGGRYGDSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000372341782 156344895 /nfs/dbraw/zinc/34/48/95/156344895.db2.gz IWMMNFWQHWPXHW-IKGGRYGDSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)C1 ZINC000372341782 156344899 /nfs/dbraw/zinc/34/48/99/156344899.db2.gz IWMMNFWQHWPXHW-IKGGRYGDSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)C1 ZINC000372341782 156344900 /nfs/dbraw/zinc/34/49/00/156344900.db2.gz IWMMNFWQHWPXHW-IKGGRYGDSA-N 2 1 338.496 1.271 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000372416321 156378553 /nfs/dbraw/zinc/37/85/53/156378553.db2.gz KKOFXGHXVFGAJS-CQSZACIVSA-N 2 1 332.448 1.905 20 0 EDADMP C[C@H](O)COC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000373863120 157039384 /nfs/dbraw/zinc/03/93/84/157039384.db2.gz PPGQMGFUZXTGFO-IKGGRYGDSA-N 2 1 326.481 1.887 20 0 EDADMP C[C@H](O)COC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000373863120 157039388 /nfs/dbraw/zinc/03/93/88/157039388.db2.gz PPGQMGFUZXTGFO-IKGGRYGDSA-N 2 1 326.481 1.887 20 0 EDADMP C[C@H](O)COC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000373863120 157039392 /nfs/dbraw/zinc/03/93/92/157039392.db2.gz PPGQMGFUZXTGFO-IKGGRYGDSA-N 2 1 326.481 1.887 20 0 EDADMP C[C@H](O)COC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000373863120 157039395 /nfs/dbraw/zinc/03/93/95/157039395.db2.gz PPGQMGFUZXTGFO-IKGGRYGDSA-N 2 1 326.481 1.887 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC1 ZINC000377830818 158002794 /nfs/dbraw/zinc/00/27/94/158002794.db2.gz HQZHDXQIXACMPA-SFHVURJKSA-N 2 1 348.535 1.392 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC1 ZINC000377830818 158002797 /nfs/dbraw/zinc/00/27/97/158002797.db2.gz HQZHDXQIXACMPA-SFHVURJKSA-N 2 1 348.535 1.392 20 0 EDADMP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000377934387 158032209 /nfs/dbraw/zinc/03/22/09/158032209.db2.gz AAOSELXDLUPEDG-PBHICJAKSA-N 2 1 329.460 1.283 20 0 EDADMP C[C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000377934387 158032210 /nfs/dbraw/zinc/03/22/10/158032210.db2.gz AAOSELXDLUPEDG-PBHICJAKSA-N 2 1 329.460 1.283 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000378116715 158082695 /nfs/dbraw/zinc/08/26/95/158082695.db2.gz CVRSBLGYCHMJAX-ARFHVFGLSA-N 2 1 326.485 1.269 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000378116715 158082699 /nfs/dbraw/zinc/08/26/99/158082699.db2.gz CVRSBLGYCHMJAX-ARFHVFGLSA-N 2 1 326.485 1.269 20 0 EDADMP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378435177 158172377 /nfs/dbraw/zinc/17/23/77/158172377.db2.gz NFIKKGUGCQNXCD-ROUUACIJSA-N 2 1 338.540 1.641 20 0 EDADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378435177 158172380 /nfs/dbraw/zinc/17/23/80/158172380.db2.gz NFIKKGUGCQNXCD-ROUUACIJSA-N 2 1 338.540 1.641 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000378633669 158223049 /nfs/dbraw/zinc/22/30/49/158223049.db2.gz ACXMRGCWAHTJCO-HNNXBMFYSA-N 2 1 329.448 1.882 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000423974497 304921801 /nfs/dbraw/zinc/92/18/01/304921801.db2.gz ICQPGLONXWANIN-UWWQBHOKSA-N 2 1 325.497 1.567 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000352499820 162214817 /nfs/dbraw/zinc/21/48/17/162214817.db2.gz LWMFYBMNIHRZJC-MRXNPFEDSA-N 2 1 339.505 1.901 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000074851353 287274040 /nfs/dbraw/zinc/27/40/40/287274040.db2.gz UTAQWQROZLLGRL-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000074851353 287274042 /nfs/dbraw/zinc/27/40/42/287274042.db2.gz UTAQWQROZLLGRL-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000278246905 273256733 /nfs/dbraw/zinc/25/67/33/273256733.db2.gz MDQDZQPRHVZHMW-YOEHRIQHSA-N 2 1 335.448 1.710 20 0 EDADMP COCCO[C@H]1C[C@H](CO)CN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000278364194 273261518 /nfs/dbraw/zinc/26/15/18/273261518.db2.gz RVMTVXTWDXCKNH-IRXDYDNUSA-N 2 1 346.431 1.113 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1[NH+]1CCCC1 ZINC000355800048 274181007 /nfs/dbraw/zinc/18/10/07/274181007.db2.gz ULECVMIAWZOSHW-USXIJHARSA-N 2 1 348.516 1.792 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417723806 274219549 /nfs/dbraw/zinc/21/95/49/274219549.db2.gz CNIWZZSPADGAJX-HOTGVXAUSA-N 2 1 333.480 1.186 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH+](C)CCN2C(=O)NC3(CCCC3)C2=O)[C@@H](C)C1 ZINC000245414259 276224905 /nfs/dbraw/zinc/22/49/05/276224905.db2.gz CDJZGLRCMWNOQI-GJZGRUSLSA-N 2 1 336.480 1.513 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)CCN2C(=O)NC3(CCCC3)C2=O)[C@@H](C)C1 ZINC000245414259 276224906 /nfs/dbraw/zinc/22/49/06/276224906.db2.gz CDJZGLRCMWNOQI-GJZGRUSLSA-N 2 1 336.480 1.513 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)[C@@H](C)C1 ZINC000245414259 276224907 /nfs/dbraw/zinc/22/49/07/276224907.db2.gz CDJZGLRCMWNOQI-GJZGRUSLSA-N 2 1 336.480 1.513 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)[C@@H](C)C1 ZINC000245414259 276224908 /nfs/dbraw/zinc/22/49/08/276224908.db2.gz CDJZGLRCMWNOQI-GJZGRUSLSA-N 2 1 336.480 1.513 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[NH+](C)[C@@H](C)CC)C1 ZINC000359257055 276247804 /nfs/dbraw/zinc/24/78/04/276247804.db2.gz AWCLGXMIUHHDKE-JKSUJKDBSA-N 2 1 340.512 1.023 20 0 EDADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC)C1 ZINC000359257055 276247806 /nfs/dbraw/zinc/24/78/06/276247806.db2.gz AWCLGXMIUHHDKE-JKSUJKDBSA-N 2 1 340.512 1.023 20 0 EDADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC)C1 ZINC000359257055 276247807 /nfs/dbraw/zinc/24/78/07/276247807.db2.gz AWCLGXMIUHHDKE-JKSUJKDBSA-N 2 1 340.512 1.023 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)Cc1ccccc1 ZINC000342686175 276825112 /nfs/dbraw/zinc/82/51/12/276825112.db2.gz AAYWSZMAKDBHKU-HUUCEWRRSA-N 2 1 325.403 1.520 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000414946098 277033526 /nfs/dbraw/zinc/03/35/26/277033526.db2.gz SNCWTHFCKKSSFS-WFASDCNBSA-N 2 1 330.432 1.086 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C1 ZINC000346697605 277304871 /nfs/dbraw/zinc/30/48/71/277304871.db2.gz FHJGOCMWCNJCAI-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[N@H+](C)C1 ZINC000346697605 277304872 /nfs/dbraw/zinc/30/48/72/277304872.db2.gz FHJGOCMWCNJCAI-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[N@@H+](C)C1 ZINC000346697605 277304875 /nfs/dbraw/zinc/30/48/75/277304875.db2.gz FHJGOCMWCNJCAI-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000286441787 288006701 /nfs/dbraw/zinc/00/67/01/288006701.db2.gz RKTHPZSKORUBSI-UHFFFAOYSA-N 2 1 349.479 1.031 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000286441787 288006703 /nfs/dbraw/zinc/00/67/03/288006703.db2.gz RKTHPZSKORUBSI-UHFFFAOYSA-N 2 1 349.479 1.031 20 0 EDADMP C[C@H](CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC[NH2+]CC1 ZINC000377199732 278163792 /nfs/dbraw/zinc/16/37/92/278163792.db2.gz VWZMNLXJTDPNSG-WBVHZDCISA-N 2 1 336.524 1.297 20 0 EDADMP C[C@H](CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC[NH2+]CC1 ZINC000377199732 278163793 /nfs/dbraw/zinc/16/37/93/278163793.db2.gz VWZMNLXJTDPNSG-WBVHZDCISA-N 2 1 336.524 1.297 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000305635610 278170444 /nfs/dbraw/zinc/17/04/44/278170444.db2.gz HRCXYWHWHWYKJH-BPQIPLTHSA-N 2 1 348.491 1.261 20 0 EDADMP C[C@@](O)(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000374803054 279150018 /nfs/dbraw/zinc/15/00/18/279150018.db2.gz YHNUVBLAKHQSEX-GOSISDBHSA-N 2 1 334.460 1.053 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000357980010 279157234 /nfs/dbraw/zinc/15/72/34/279157234.db2.gz URSWNXMTFKBGLN-BZUAXINKSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[NH+]1CCSCC1 ZINC000343958895 279204266 /nfs/dbraw/zinc/20/42/66/279204266.db2.gz RCFWWBZFGNLQEH-GDBMZVCRSA-N 2 1 325.522 1.614 20 0 EDADMP C[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[NH+]1CCSCC1 ZINC000343958895 279204268 /nfs/dbraw/zinc/20/42/68/279204268.db2.gz RCFWWBZFGNLQEH-GDBMZVCRSA-N 2 1 325.522 1.614 20 0 EDADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000332548200 279311094 /nfs/dbraw/zinc/31/10/94/279311094.db2.gz DMPRBXVNCHUONZ-UONOGXRCSA-N 2 1 336.484 1.406 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000332548200 279311096 /nfs/dbraw/zinc/31/10/96/279311096.db2.gz DMPRBXVNCHUONZ-UONOGXRCSA-N 2 1 336.484 1.406 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000287033294 288142266 /nfs/dbraw/zinc/14/22/66/288142266.db2.gz IBFLAXPVMCPTEW-KBPBESRZSA-N 2 1 340.493 1.059 20 0 EDADMP CC(C)[C@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[NH+](C)C ZINC000106426221 280169322 /nfs/dbraw/zinc/16/93/22/280169322.db2.gz SECHTMWYVVBTQC-MRXNPFEDSA-N 2 1 325.497 1.724 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000291840476 289194135 /nfs/dbraw/zinc/19/41/35/289194135.db2.gz CSZMLGQLSVDGLX-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000291840476 289194136 /nfs/dbraw/zinc/19/41/36/289194136.db2.gz CSZMLGQLSVDGLX-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000291840476 289194138 /nfs/dbraw/zinc/19/41/38/289194138.db2.gz CSZMLGQLSVDGLX-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000291840476 289194139 /nfs/dbraw/zinc/19/41/39/289194139.db2.gz CSZMLGQLSVDGLX-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000291872543 289202496 /nfs/dbraw/zinc/20/24/96/289202496.db2.gz IMSPHGANCSOMEV-UYAOXDASSA-N 2 1 344.503 1.897 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292050455 289248740 /nfs/dbraw/zinc/24/87/40/289248740.db2.gz BMAIWJLYYNUODI-ICSRJNTNSA-N 3 1 344.503 1.433 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000292093911 289259711 /nfs/dbraw/zinc/25/97/11/289259711.db2.gz NQUGWPGGNADDHN-WBVHZDCISA-N 2 1 344.459 1.607 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000292093911 289259712 /nfs/dbraw/zinc/25/97/12/289259712.db2.gz NQUGWPGGNADDHN-WBVHZDCISA-N 2 1 344.459 1.607 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292237991 289296104 /nfs/dbraw/zinc/29/61/04/289296104.db2.gz WLRGTCPIHKFRBI-UGSOOPFHSA-N 2 1 330.432 1.140 20 0 EDADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@H](C)CO ZINC000292288815 289306985 /nfs/dbraw/zinc/30/69/85/289306985.db2.gz UAMHINZPDXHCNJ-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@H](C)CO ZINC000292288815 289306988 /nfs/dbraw/zinc/30/69/88/289306988.db2.gz UAMHINZPDXHCNJ-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@H](C)CO ZINC000292288815 289306991 /nfs/dbraw/zinc/30/69/91/289306991.db2.gz UAMHINZPDXHCNJ-GOSISDBHSA-N 2 1 347.503 1.732 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCCO[C@H]3CCCCO3)C2)CC1 ZINC000367284021 290047194 /nfs/dbraw/zinc/04/71/94/290047194.db2.gz CBXCUCVEIXKFNA-OALUTQOASA-N 2 1 339.524 1.879 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCCCN(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000422632326 297366861 /nfs/dbraw/zinc/36/68/61/297366861.db2.gz GQTXNDMBKXZTOK-SQNIBIBYSA-N 2 1 346.519 1.934 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCCCN(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000422632326 297366862 /nfs/dbraw/zinc/36/68/62/297366862.db2.gz GQTXNDMBKXZTOK-SQNIBIBYSA-N 2 1 346.519 1.934 20 0 EDADMP C[C@H](CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C[NH+](C)C ZINC000293753423 303013378 /nfs/dbraw/zinc/01/33/78/303013378.db2.gz MJBDHXFVUFKPRF-MRXNPFEDSA-N 2 1 332.492 1.362 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c2nccn2c1 ZINC000295116150 303174944 /nfs/dbraw/zinc/17/49/44/303174944.db2.gz XXRYRVZLLVUATB-CQSZACIVSA-N 2 1 345.447 1.818 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000295116150 303174946 /nfs/dbraw/zinc/17/49/46/303174946.db2.gz XXRYRVZLLVUATB-CQSZACIVSA-N 2 1 345.447 1.818 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000295116150 303174947 /nfs/dbraw/zinc/17/49/47/303174947.db2.gz XXRYRVZLLVUATB-CQSZACIVSA-N 2 1 345.447 1.818 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411210752 303889784 /nfs/dbraw/zinc/88/97/84/303889784.db2.gz WCPYDRKBUZKFAF-UHFFFAOYSA-N 2 1 343.431 1.316 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC[NH2+]C)cc1 ZINC000423209013 304889452 /nfs/dbraw/zinc/88/94/52/304889452.db2.gz ZLVCMGGLXVRKNP-CQSZACIVSA-N 2 1 327.494 1.977 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000423401707 304894591 /nfs/dbraw/zinc/89/45/91/304894591.db2.gz GQTHKUKQVZJHQM-LERXQTSPSA-N 2 1 341.249 1.833 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424042793 304926169 /nfs/dbraw/zinc/92/61/69/304926169.db2.gz XLMQTJRGINRENX-YXJHDRRASA-N 2 1 343.402 1.787 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000427993029 305003216 /nfs/dbraw/zinc/00/32/16/305003216.db2.gz OAILFOAFOJYHOJ-HUUCEWRRSA-N 2 1 325.497 1.865 20 0 EDADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NC(=O)NCc1ccccc1 ZINC000428028560 305004435 /nfs/dbraw/zinc/00/44/35/305004435.db2.gz APELMGLNPACXOZ-HZPDHXFCSA-N 2 1 330.432 1.086 20 0 EDADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NC(=O)NCc1ccccc1 ZINC000428028560 305004436 /nfs/dbraw/zinc/00/44/36/305004436.db2.gz APELMGLNPACXOZ-HZPDHXFCSA-N 2 1 330.432 1.086 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000428998311 305022037 /nfs/dbraw/zinc/02/20/37/305022037.db2.gz DLXORKZXANKSOM-VSZNYVQBSA-N 2 1 336.524 1.201 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000428998311 305022038 /nfs/dbraw/zinc/02/20/38/305022038.db2.gz DLXORKZXANKSOM-VSZNYVQBSA-N 2 1 336.524 1.201 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC[C@H]2C[NH3+])CC1 ZINC000430589406 305057492 /nfs/dbraw/zinc/05/74/92/305057492.db2.gz AJGKARNKPIGVSF-IBGZPJMESA-N 2 1 344.503 1.452 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000430606817 305058439 /nfs/dbraw/zinc/05/84/39/305058439.db2.gz AUOFKVKPVXWGPW-CQSZACIVSA-N 2 1 346.406 1.768 20 0 EDADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430609204 305058560 /nfs/dbraw/zinc/05/85/60/305058560.db2.gz HIIXDMYHLLMUKD-CVEARBPZSA-N 2 1 346.475 1.417 20 0 EDADMP Cc1ccccc1OCCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430653634 305061358 /nfs/dbraw/zinc/06/13/58/305061358.db2.gz PCKMAROFJXLTRK-GOSISDBHSA-N 2 1 345.487 1.908 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000430684145 305062492 /nfs/dbraw/zinc/06/24/92/305062492.db2.gz MLXSEFQEUYJEIJ-GFCCVEGCSA-N 2 1 345.451 1.082 20 0 EDADMP C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[N@H+]1CCCC[C@@H]1C ZINC000430747935 305064044 /nfs/dbraw/zinc/06/40/44/305064044.db2.gz NZHSZPOJKOXNSF-KBPBESRZSA-N 2 1 334.468 1.195 20 0 EDADMP COCC[C@]1(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430781562 305064941 /nfs/dbraw/zinc/06/49/41/305064941.db2.gz UDDZQRZAUGYCFA-XKGZKEIXSA-N 2 1 345.487 1.782 20 0 EDADMP COCC[C@]1(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430781563 305065002 /nfs/dbraw/zinc/06/50/02/305065002.db2.gz UDDZQRZAUGYCFA-YVWKXTFCSA-N 2 1 345.487 1.782 20 0 EDADMP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430933357 305069051 /nfs/dbraw/zinc/06/90/51/305069051.db2.gz HYQFFVOWJGMUPY-ZDUSSCGKSA-N 2 1 327.375 1.527 20 0 EDADMP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430933357 305069052 /nfs/dbraw/zinc/06/90/52/305069052.db2.gz HYQFFVOWJGMUPY-ZDUSSCGKSA-N 2 1 327.375 1.527 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430935002 305069144 /nfs/dbraw/zinc/06/91/44/305069144.db2.gz OUBFEJUTZTYQQR-PKOBYXMFSA-N 2 1 344.503 1.308 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000431850768 305083834 /nfs/dbraw/zinc/08/38/34/305083834.db2.gz LADJNLVPRXYUMX-QZTJIDSGSA-N 2 1 337.508 1.964 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000431850768 305083835 /nfs/dbraw/zinc/08/38/35/305083835.db2.gz LADJNLVPRXYUMX-QZTJIDSGSA-N 2 1 337.508 1.964 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000433120392 305100927 /nfs/dbraw/zinc/10/09/27/305100927.db2.gz YSYSTWFGKQUEQN-HOTGVXAUSA-N 2 1 346.475 1.553 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433294776 305105426 /nfs/dbraw/zinc/10/54/26/305105426.db2.gz NFQQTIGMOQZKEO-IRXDYDNUSA-N 2 1 342.528 1.763 20 0 EDADMP C[N@H+]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C2(CCCCC2)C1 ZINC000433394193 305107680 /nfs/dbraw/zinc/10/76/80/305107680.db2.gz KTAISXLUWNSKHD-OAHLLOKOSA-N 2 1 346.479 1.293 20 0 EDADMP Cc1c([C@H]2[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC(=O)N2C)cnn1C ZINC000433593373 305111425 /nfs/dbraw/zinc/11/14/25/305111425.db2.gz KFSXSFXTFKFQFK-KKBFJZEXSA-N 2 1 331.464 1.217 20 0 EDADMP Cc1c([C@H]2[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC(=O)N2C)cnn1C ZINC000433593373 305111426 /nfs/dbraw/zinc/11/14/26/305111426.db2.gz KFSXSFXTFKFQFK-KKBFJZEXSA-N 2 1 331.464 1.217 20 0 EDADMP C[C@@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CCC(C)CC1 ZINC000435495194 305141247 /nfs/dbraw/zinc/14/12/47/305141247.db2.gz ZWLCEXNKECKCRQ-AWEZNQCLSA-N 2 1 336.484 1.406 20 0 EDADMP CCC[N@@H+](C)CC(=O)N(Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435572402 305142798 /nfs/dbraw/zinc/14/27/98/305142798.db2.gz FIVOVOOGZIIRAT-INIZCTEOSA-N 2 1 347.507 1.716 20 0 EDADMP CC[N@H+](CC(=O)NCCN1CCc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435613164 305143263 /nfs/dbraw/zinc/14/32/63/305143263.db2.gz JDHMSYSAKPAXTO-SFHVURJKSA-N 2 1 344.503 1.629 20 0 EDADMP CC[N@@H+](CC(=O)NCCN1CCc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435613164 305143264 /nfs/dbraw/zinc/14/32/64/305143264.db2.gz JDHMSYSAKPAXTO-SFHVURJKSA-N 2 1 344.503 1.629 20 0 EDADMP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436056701 305151675 /nfs/dbraw/zinc/15/16/75/305151675.db2.gz TXDBYGRQTLVORG-HOTGVXAUSA-N 2 1 338.496 1.097 20 0 EDADMP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436056701 305151676 /nfs/dbraw/zinc/15/16/76/305151676.db2.gz TXDBYGRQTLVORG-HOTGVXAUSA-N 2 1 338.496 1.097 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436065227 305152015 /nfs/dbraw/zinc/15/20/15/305152015.db2.gz OQZZBRMXTPRCNG-ZACQAIPSSA-N 2 1 325.497 1.901 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000444551948 305250410 /nfs/dbraw/zinc/25/04/10/305250410.db2.gz NJZQDGTVCFVSSO-WBVHZDCISA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000444551948 305250411 /nfs/dbraw/zinc/25/04/11/305250411.db2.gz NJZQDGTVCFVSSO-WBVHZDCISA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000444551948 305250412 /nfs/dbraw/zinc/25/04/12/305250412.db2.gz NJZQDGTVCFVSSO-WBVHZDCISA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000444551948 305250413 /nfs/dbraw/zinc/25/04/13/305250413.db2.gz NJZQDGTVCFVSSO-WBVHZDCISA-N 2 1 337.508 1.697 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000447435998 305280349 /nfs/dbraw/zinc/28/03/49/305280349.db2.gz SQWTUYUYOAGTRV-RKVPGOIHSA-N 2 1 349.475 1.276 20 0 EDADMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000447844513 305286926 /nfs/dbraw/zinc/28/69/26/305286926.db2.gz QKFIRFTXEVPNKT-XCDZQEORSA-N 2 1 342.524 1.598 20 0 EDADMP C[C@@H](O)C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447844513 305286927 /nfs/dbraw/zinc/28/69/27/305286927.db2.gz QKFIRFTXEVPNKT-XCDZQEORSA-N 2 1 342.524 1.598 20 0 EDADMP C[C@@H](O)C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447844513 305286928 /nfs/dbraw/zinc/28/69/28/305286928.db2.gz QKFIRFTXEVPNKT-XCDZQEORSA-N 2 1 342.524 1.598 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@H](C)O1 ZINC000449331500 305311596 /nfs/dbraw/zinc/31/15/96/305311596.db2.gz ZFRHOYAISKLMHK-VVLHAWIVSA-N 2 1 325.497 1.900 20 0 EDADMP CO[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451565628 305354068 /nfs/dbraw/zinc/35/40/68/305354068.db2.gz LMBNDZQNVJORGL-TVFCKZIOSA-N 2 1 328.497 1.717 20 0 EDADMP CO[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451565628 305354069 /nfs/dbraw/zinc/35/40/69/305354069.db2.gz LMBNDZQNVJORGL-TVFCKZIOSA-N 2 1 328.497 1.717 20 0 EDADMP CO[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451565628 305354070 /nfs/dbraw/zinc/35/40/70/305354070.db2.gz LMBNDZQNVJORGL-TVFCKZIOSA-N 2 1 328.497 1.717 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@H+](C)Cc1ccccc1 ZINC000452387165 305396777 /nfs/dbraw/zinc/39/67/77/305396777.db2.gz GTXWHDVQKAKVTJ-AEFFLSMTSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@@H+](C)Cc1ccccc1 ZINC000452387165 305396778 /nfs/dbraw/zinc/39/67/78/305396778.db2.gz GTXWHDVQKAKVTJ-AEFFLSMTSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+](C)Cc1ccccc1 ZINC000452387165 305396779 /nfs/dbraw/zinc/39/67/79/305396779.db2.gz GTXWHDVQKAKVTJ-AEFFLSMTSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+](C)Cc1ccccc1 ZINC000452387165 305396780 /nfs/dbraw/zinc/39/67/80/305396780.db2.gz GTXWHDVQKAKVTJ-AEFFLSMTSA-N 2 1 333.476 1.470 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458412226 447353011 /nfs/dbraw/zinc/35/30/11/447353011.db2.gz BFRKDMCJXIHPGC-INIZCTEOSA-N 2 1 337.468 1.118 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458412226 447353018 /nfs/dbraw/zinc/35/30/18/447353018.db2.gz BFRKDMCJXIHPGC-INIZCTEOSA-N 2 1 337.468 1.118 20 0 EDADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000516643020 305739754 /nfs/dbraw/zinc/73/97/54/305739754.db2.gz VFHNREJMFUGFEI-GDBMZVCRSA-N 2 1 339.505 1.851 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449021826 447359502 /nfs/dbraw/zinc/35/95/02/447359502.db2.gz VPBDFPMYTGVIQN-GASCZTMLSA-N 2 1 335.496 1.928 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449021826 447359508 /nfs/dbraw/zinc/35/95/08/447359508.db2.gz VPBDFPMYTGVIQN-GASCZTMLSA-N 2 1 335.496 1.928 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000449021827 447359717 /nfs/dbraw/zinc/35/97/17/447359717.db2.gz VPBDFPMYTGVIQN-GJZGRUSLSA-N 2 1 335.496 1.928 20 0 EDADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000414945843 447366699 /nfs/dbraw/zinc/36/66/99/447366699.db2.gz SHCQFHRYLMLRLZ-RDJZCZTQSA-N 2 1 331.460 1.775 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000414935288 447363738 /nfs/dbraw/zinc/36/37/38/447363738.db2.gz VHEGQKNXBRHCBW-HNNXBMFYSA-N 2 1 330.432 1.041 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000536553782 306022329 /nfs/dbraw/zinc/02/23/29/306022329.db2.gz JXFYSBFIQQZAOM-DLBZAZTESA-N 2 1 339.528 1.138 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(C)nn3)C2)CC1 ZINC000539076601 306034209 /nfs/dbraw/zinc/03/42/09/306034209.db2.gz DUNKAKRVFOKNQG-QGZVFWFLSA-N 2 1 333.480 1.454 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)CCN(C)c3cc[nH+]cc3)CC2)c1 ZINC000540927019 306041808 /nfs/dbraw/zinc/04/18/08/306041808.db2.gz TZUTYNVYIMYYHU-UHFFFAOYSA-N 2 1 339.443 1.960 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000546590933 306093771 /nfs/dbraw/zinc/09/37/71/306093771.db2.gz BCFSNNJUMINBNM-IBGZPJMESA-N 2 1 346.475 1.148 20 0 EDADMP CNS(=O)(=O)C1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000552113737 306175464 /nfs/dbraw/zinc/17/54/64/306175464.db2.gz HWIKSDDORMJDGD-UHFFFAOYSA-N 2 1 349.460 1.089 20 0 EDADMP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000555596536 306203568 /nfs/dbraw/zinc/20/35/68/306203568.db2.gz KBGMBEYDTBJJMH-QFBILLFUSA-N 2 1 331.460 1.270 20 0 EDADMP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000555596536 306203569 /nfs/dbraw/zinc/20/35/69/306203569.db2.gz KBGMBEYDTBJJMH-QFBILLFUSA-N 2 1 331.460 1.270 20 0 EDADMP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000555596537 306203619 /nfs/dbraw/zinc/20/36/19/306203619.db2.gz KBGMBEYDTBJJMH-VQIMIIECSA-N 2 1 331.460 1.270 20 0 EDADMP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000555596537 306203620 /nfs/dbraw/zinc/20/36/20/306203620.db2.gz KBGMBEYDTBJJMH-VQIMIIECSA-N 2 1 331.460 1.270 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@H+]([C@@H]3CCc4ccccc4NC3=O)C2)nn1 ZINC000557339406 306227544 /nfs/dbraw/zinc/22/75/44/306227544.db2.gz RBDZXNOVPSBKKL-DOTOQJQBSA-N 2 1 340.431 1.327 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000414949977 447370964 /nfs/dbraw/zinc/37/09/64/447370964.db2.gz GYZUMPALYDTXSK-XEZPLFJOSA-N 2 1 333.432 1.920 20 0 EDADMP CC[C@H](CNS(C)(=O)=O)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449443858 447374207 /nfs/dbraw/zinc/37/42/07/447374207.db2.gz WHINYVULFISNGT-ZMSDIMECSA-N 2 1 345.553 1.947 20 0 EDADMP CC1CCC(O)(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)CC1 ZINC000377854923 447379418 /nfs/dbraw/zinc/37/94/18/447379418.db2.gz HUGIIYYZTXCXPP-IAFLDTSXSA-N 2 1 339.524 1.264 20 0 EDADMP CC1CCC(O)(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)CC1 ZINC000377854923 447379422 /nfs/dbraw/zinc/37/94/22/447379422.db2.gz HUGIIYYZTXCXPP-IAFLDTSXSA-N 2 1 339.524 1.264 20 0 EDADMP CC1CCC(O)(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)CC1 ZINC000377854923 447379427 /nfs/dbraw/zinc/37/94/27/447379427.db2.gz HUGIIYYZTXCXPP-IAFLDTSXSA-N 2 1 339.524 1.264 20 0 EDADMP CC1CCC(O)(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)CC1 ZINC000377854923 447379432 /nfs/dbraw/zinc/37/94/32/447379432.db2.gz HUGIIYYZTXCXPP-IAFLDTSXSA-N 2 1 339.524 1.264 20 0 EDADMP CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(N3CCN(C)CC3)nc2)C12CCC2 ZINC000449634918 447381127 /nfs/dbraw/zinc/38/11/27/447381127.db2.gz SKUBZGYCYYQMHJ-IAGOWNOFSA-N 2 1 345.491 1.618 20 0 EDADMP CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C12CCC2 ZINC000449634918 447381139 /nfs/dbraw/zinc/38/11/39/447381139.db2.gz SKUBZGYCYYQMHJ-IAGOWNOFSA-N 2 1 345.491 1.618 20 0 EDADMP C[C@@H](C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H](C)[NH3+] ZINC000493960438 447420413 /nfs/dbraw/zinc/42/04/13/447420413.db2.gz LWVLHPUCODTOJW-VNHYZAJKSA-N 2 1 332.448 1.306 20 0 EDADMP C[C@H](CCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCCCC1 ZINC000458648632 447437604 /nfs/dbraw/zinc/43/76/04/447437604.db2.gz MFVJQZYDYUOKLM-SJORKVTESA-N 2 1 340.512 1.397 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000080545717 441178566 /nfs/dbraw/zinc/17/85/66/441178566.db2.gz USGUXCHMVOBRND-GOSISDBHSA-N 2 1 334.508 1.988 20 0 EDADMP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000105103698 441233088 /nfs/dbraw/zinc/23/30/88/441233088.db2.gz MDGGHDGUUSAPKB-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000105103698 441233094 /nfs/dbraw/zinc/23/30/94/441233094.db2.gz MDGGHDGUUSAPKB-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000080880274 441202963 /nfs/dbraw/zinc/20/29/63/441202963.db2.gz ZYZRYUOMOSBFRF-GOSISDBHSA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)C1CC1 ZINC000104856375 441216780 /nfs/dbraw/zinc/21/67/80/441216780.db2.gz ILCUWCMYNZVRLG-RBUKOAKNSA-N 2 1 345.487 1.641 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)CC2)c1 ZINC000105263359 441245719 /nfs/dbraw/zinc/24/57/19/441245719.db2.gz RUQRZDRTPTTZRB-CQSZACIVSA-N 2 1 347.463 1.405 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000073033982 441286992 /nfs/dbraw/zinc/28/69/92/441286992.db2.gz FYRRTHYZSMFVEH-JQHSSLGASA-N 2 1 331.460 1.659 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000073033982 441286997 /nfs/dbraw/zinc/28/69/97/441286997.db2.gz FYRRTHYZSMFVEH-JQHSSLGASA-N 2 1 331.460 1.659 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000073033982 441287001 /nfs/dbraw/zinc/28/70/01/441287001.db2.gz FYRRTHYZSMFVEH-JQHSSLGASA-N 2 1 331.460 1.659 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000073033982 441287008 /nfs/dbraw/zinc/28/70/08/441287008.db2.gz FYRRTHYZSMFVEH-JQHSSLGASA-N 2 1 331.460 1.659 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000073664042 441339582 /nfs/dbraw/zinc/33/95/82/441339582.db2.gz OZYKKNZONADNRM-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000073664042 441339588 /nfs/dbraw/zinc/33/95/88/441339588.db2.gz OZYKKNZONADNRM-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000106402488 441340215 /nfs/dbraw/zinc/34/02/15/441340215.db2.gz PUFNSSBEQPVFMX-SFHVURJKSA-N 2 1 345.487 1.566 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000106402488 441340219 /nfs/dbraw/zinc/34/02/19/441340219.db2.gz PUFNSSBEQPVFMX-SFHVURJKSA-N 2 1 345.487 1.566 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000083720269 441370896 /nfs/dbraw/zinc/37/08/96/441370896.db2.gz ZMATUUJNCVBWKJ-AWEZNQCLSA-N 2 1 336.484 1.406 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000083720269 441370900 /nfs/dbraw/zinc/37/09/00/441370900.db2.gz ZMATUUJNCVBWKJ-AWEZNQCLSA-N 2 1 336.484 1.406 20 0 EDADMP CNC(=O)NC(=O)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322048 441422491 /nfs/dbraw/zinc/42/24/91/441422491.db2.gz XLMZJQUFTRLZDH-UHFFFAOYSA-N 2 1 332.448 1.429 20 0 EDADMP CNC(=O)NC(=O)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322048 441422494 /nfs/dbraw/zinc/42/24/94/441422494.db2.gz XLMZJQUFTRLZDH-UHFFFAOYSA-N 2 1 332.448 1.429 20 0 EDADMP COc1ccc(CCNC(=[NH2+])NC[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000066245619 441516084 /nfs/dbraw/zinc/51/60/84/441516084.db2.gz HLXSJZUBAXXHKY-INIZCTEOSA-N 2 1 347.507 1.235 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000113454727 441609815 /nfs/dbraw/zinc/60/98/15/441609815.db2.gz DSDFDUOTDSLDPQ-HKUYNNGSSA-N 2 1 344.503 1.385 20 0 EDADMP CO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000076345080 441633971 /nfs/dbraw/zinc/63/39/71/441633971.db2.gz SCDZFFFCDYIFGB-UHOSZYNNSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000076345080 441633975 /nfs/dbraw/zinc/63/39/75/441633975.db2.gz SCDZFFFCDYIFGB-UHOSZYNNSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@H]1CCC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000076345080 441633979 /nfs/dbraw/zinc/63/39/79/441633979.db2.gz SCDZFFFCDYIFGB-UHOSZYNNSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@H]1CCC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000076345080 441633984 /nfs/dbraw/zinc/63/39/84/441633984.db2.gz SCDZFFFCDYIFGB-UHOSZYNNSA-N 2 1 345.487 1.876 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCC[C@H](C(N)=O)C1 ZINC000114074607 441634642 /nfs/dbraw/zinc/63/46/42/441634642.db2.gz CPVYFXMGSFWJEI-DOTOQJQBSA-N 2 1 344.459 1.417 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCC[C@H](C(N)=O)C1 ZINC000114074607 441634644 /nfs/dbraw/zinc/63/46/44/441634644.db2.gz CPVYFXMGSFWJEI-DOTOQJQBSA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000114074607 441634650 /nfs/dbraw/zinc/63/46/50/441634650.db2.gz CPVYFXMGSFWJEI-DOTOQJQBSA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000114074607 441634654 /nfs/dbraw/zinc/63/46/54/441634654.db2.gz CPVYFXMGSFWJEI-DOTOQJQBSA-N 2 1 344.459 1.417 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(CO)CC1 ZINC000076991987 441705809 /nfs/dbraw/zinc/70/58/09/441705809.db2.gz DALBFRMNUANWIS-APWZRJJASA-N 2 1 345.487 1.470 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(CO)CC1 ZINC000076991987 441705811 /nfs/dbraw/zinc/70/58/11/441705811.db2.gz DALBFRMNUANWIS-APWZRJJASA-N 2 1 345.487 1.470 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000139467530 441818383 /nfs/dbraw/zinc/81/83/83/441818383.db2.gz XLSNQCOFPMXNTP-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000139467530 441818388 /nfs/dbraw/zinc/81/83/88/441818388.db2.gz XLSNQCOFPMXNTP-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000139467530 441818393 /nfs/dbraw/zinc/81/83/93/441818393.db2.gz XLSNQCOFPMXNTP-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP C[C@@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[N@@H+](C)C1CC1 ZINC000077593416 441810802 /nfs/dbraw/zinc/81/08/02/441810802.db2.gz YARFJHHFMXRIPA-LSDHHAIUSA-N 2 1 338.496 1.269 20 0 EDADMP COc1cccc([C@H](CNC(=O)[C@H](C)N2CC[NH+](C)CC2)[NH+](C)C)c1 ZINC000121930639 441814320 /nfs/dbraw/zinc/81/43/20/441814320.db2.gz XYDQCBGDZKKUDV-YJBOKZPZSA-N 2 1 348.491 1.050 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000068598437 441829895 /nfs/dbraw/zinc/82/98/95/441829895.db2.gz GEHODIIGHFGHNR-QGZVFWFLSA-N 2 1 347.507 1.448 20 0 EDADMP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174711908 441955426 /nfs/dbraw/zinc/95/54/26/441955426.db2.gz HEGGYBCVQKUZSC-GOSISDBHSA-N 2 1 346.519 1.569 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000125165876 441991780 /nfs/dbraw/zinc/99/17/80/441991780.db2.gz URPINRXUQVVGIB-INIZCTEOSA-N 2 1 342.528 1.717 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000125165876 441991784 /nfs/dbraw/zinc/99/17/84/441991784.db2.gz URPINRXUQVVGIB-INIZCTEOSA-N 2 1 342.528 1.717 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CCc1ccccn1)c1ccccc1 ZINC000176128910 442179577 /nfs/dbraw/zinc/17/95/77/442179577.db2.gz CQAPPEVEOGEDLM-LJQANCHMSA-N 2 1 340.471 1.975 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CCc1ccccn1)c1ccccc1 ZINC000176128910 442179582 /nfs/dbraw/zinc/17/95/82/442179582.db2.gz CQAPPEVEOGEDLM-LJQANCHMSA-N 2 1 340.471 1.975 20 0 EDADMP C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000127328226 442193756 /nfs/dbraw/zinc/19/37/56/442193756.db2.gz RKLKTDPQFYPMCS-ZWKOTPCHSA-N 2 1 348.535 1.914 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000176339187 442211472 /nfs/dbraw/zinc/21/14/72/442211472.db2.gz NKCFPOXEAJJJCL-IKGGRYGDSA-N 2 1 339.528 1.042 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000167232511 442219763 /nfs/dbraw/zinc/21/97/63/442219763.db2.gz KOSNSVMTUWZCRZ-QGZVFWFLSA-N 2 1 335.448 1.012 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000168506177 442224484 /nfs/dbraw/zinc/22/44/84/442224484.db2.gz UWHNOGHFCVAFOQ-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000168506177 442224488 /nfs/dbraw/zinc/22/44/88/442224488.db2.gz UWHNOGHFCVAFOQ-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CSCN3)c2)C[C@H](C)O1 ZINC000169200434 442226002 /nfs/dbraw/zinc/22/60/02/442226002.db2.gz SRADQLJUZWQSNH-ZENOOKHLSA-N 2 1 335.473 1.897 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176591490 442238066 /nfs/dbraw/zinc/23/80/66/442238066.db2.gz UMQSNKHQADZRMM-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170758189 442258702 /nfs/dbraw/zinc/25/87/02/442258702.db2.gz SLHAJZIMZWEJDI-OAGGEKHMSA-N 2 1 342.528 1.904 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170758189 442258703 /nfs/dbraw/zinc/25/87/03/442258703.db2.gz SLHAJZIMZWEJDI-OAGGEKHMSA-N 2 1 342.528 1.904 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170758189 442258706 /nfs/dbraw/zinc/25/87/06/442258706.db2.gz SLHAJZIMZWEJDI-OAGGEKHMSA-N 2 1 342.528 1.904 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170758189 442258708 /nfs/dbraw/zinc/25/87/08/442258708.db2.gz SLHAJZIMZWEJDI-OAGGEKHMSA-N 2 1 342.528 1.904 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000171161331 442321709 /nfs/dbraw/zinc/32/17/09/442321709.db2.gz UKODPXBUMUSEFD-UHFFFAOYSA-N 2 1 333.480 1.685 20 0 EDADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)CN3CCOCC3)C2)CC1 ZINC000154739200 442353961 /nfs/dbraw/zinc/35/39/61/442353961.db2.gz CGKJXPHUZPIQPJ-RTBURBONSA-N 2 1 339.524 1.123 20 0 EDADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)CN3CCOCC3)C2)CC1 ZINC000154739200 442353964 /nfs/dbraw/zinc/35/39/64/442353964.db2.gz CGKJXPHUZPIQPJ-RTBURBONSA-N 2 1 339.524 1.123 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C[N@H+]1C1CC1 ZINC000177221108 442315117 /nfs/dbraw/zinc/31/51/17/442315117.db2.gz NGZGEEOETQHASF-HZPDHXFCSA-N 2 1 335.492 1.763 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CCCCC2)[C@H](C)C1 ZINC000178022127 442402372 /nfs/dbraw/zinc/40/23/72/442402372.db2.gz YWHRQCBGDYLNGH-SJORKVTESA-N 2 1 325.497 1.726 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCCCC2)[C@H](C)C1 ZINC000178022127 442402375 /nfs/dbraw/zinc/40/23/75/442402375.db2.gz YWHRQCBGDYLNGH-SJORKVTESA-N 2 1 325.497 1.726 20 0 EDADMP CCC[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000133816840 442435251 /nfs/dbraw/zinc/43/52/51/442435251.db2.gz OIVKNUOBCURQOI-UHFFFAOYSA-N 2 1 339.505 1.901 20 0 EDADMP Cc1cc(N2CCC(NC(=O)C3(C[NH3+])CCCC3)CC2)nc(C)[nH+]1 ZINC000178846200 442502095 /nfs/dbraw/zinc/50/20/95/442502095.db2.gz KWRHMFQYUCATEN-UHFFFAOYSA-N 2 1 331.464 1.698 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000156678519 442508117 /nfs/dbraw/zinc/50/81/17/442508117.db2.gz YAMCBOJRGORYHP-PKOBYXMFSA-N 2 1 344.503 1.261 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)ccn1 ZINC000156279062 442462313 /nfs/dbraw/zinc/46/23/13/442462313.db2.gz DVXYBICCEPJMOY-JKSUJKDBSA-N 2 1 332.448 1.331 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000178890019 442516018 /nfs/dbraw/zinc/51/60/18/442516018.db2.gz XXYACYACXBCHAA-QZTJIDSGSA-N 2 1 344.503 1.785 20 0 EDADMP CC[N@@H+](CCO)CCN[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000186575544 442565625 /nfs/dbraw/zinc/56/56/25/442565625.db2.gz RUKRCUGSQGITLX-SLFFLAALSA-N 2 1 331.504 1.801 20 0 EDADMP CC[NH+](CCO)CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000186575544 442565629 /nfs/dbraw/zinc/56/56/29/442565629.db2.gz RUKRCUGSQGITLX-SLFFLAALSA-N 2 1 331.504 1.801 20 0 EDADMP CC[NH+](CCO)CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000186575544 442565632 /nfs/dbraw/zinc/56/56/32/442565632.db2.gz RUKRCUGSQGITLX-SLFFLAALSA-N 2 1 331.504 1.801 20 0 EDADMP CCN(CCO)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000186575544 442565635 /nfs/dbraw/zinc/56/56/35/442565635.db2.gz RUKRCUGSQGITLX-SLFFLAALSA-N 2 1 331.504 1.801 20 0 EDADMP CCN(CCO)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000186575544 442565637 /nfs/dbraw/zinc/56/56/37/442565637.db2.gz RUKRCUGSQGITLX-SLFFLAALSA-N 2 1 331.504 1.801 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000187629625 442683390 /nfs/dbraw/zinc/68/33/90/442683390.db2.gz KRGAXGINZUTGRX-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000188038927 442704300 /nfs/dbraw/zinc/70/43/00/442704300.db2.gz AQERXZODDKGAPD-IBGZPJMESA-N 2 1 347.507 1.601 20 0 EDADMP CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000188038927 442704302 /nfs/dbraw/zinc/70/43/02/442704302.db2.gz AQERXZODDKGAPD-IBGZPJMESA-N 2 1 347.507 1.601 20 0 EDADMP CCN(C)C(=O)CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188273014 442732218 /nfs/dbraw/zinc/73/22/18/442732218.db2.gz WDGFSVCOAINBSF-LJQANCHMSA-N 2 1 333.476 1.424 20 0 EDADMP CCN(C)C(=O)CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188273014 442732220 /nfs/dbraw/zinc/73/22/20/442732220.db2.gz WDGFSVCOAINBSF-LJQANCHMSA-N 2 1 333.476 1.424 20 0 EDADMP CCN(C)C(=O)CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188273014 442732221 /nfs/dbraw/zinc/73/22/21/442732221.db2.gz WDGFSVCOAINBSF-LJQANCHMSA-N 2 1 333.476 1.424 20 0 EDADMP CCN(C)C(=O)CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188273014 442732223 /nfs/dbraw/zinc/73/22/23/442732223.db2.gz WDGFSVCOAINBSF-LJQANCHMSA-N 2 1 333.476 1.424 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)cc2F)CC1 ZINC000193501146 442748695 /nfs/dbraw/zinc/74/86/95/442748695.db2.gz ZZHACMNKINXFSD-RHSMWYFYSA-N 2 1 348.466 1.838 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000188449883 442751411 /nfs/dbraw/zinc/75/14/11/442751411.db2.gz GYIVYVFSIPLQTA-GJZGRUSLSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000188449883 442751414 /nfs/dbraw/zinc/75/14/14/442751414.db2.gz GYIVYVFSIPLQTA-GJZGRUSLSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000188449883 442751415 /nfs/dbraw/zinc/75/14/15/442751415.db2.gz GYIVYVFSIPLQTA-GJZGRUSLSA-N 2 1 328.501 1.203 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000188540152 442761682 /nfs/dbraw/zinc/76/16/82/442761682.db2.gz GOYBSYQUZJQPKD-HOTGVXAUSA-N 2 1 342.528 1.857 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000246363984 442776911 /nfs/dbraw/zinc/77/69/11/442776911.db2.gz YNZNPVXSRLJEPA-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000193741067 442777168 /nfs/dbraw/zinc/77/71/68/442777168.db2.gz PVKBMZQHHHMWLR-UHFFFAOYSA-N 2 1 340.512 1.472 20 0 EDADMP CC(C)CNC(=O)NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246447879 442782992 /nfs/dbraw/zinc/78/29/92/442782992.db2.gz DSBBRMNAEDDEQR-GOEBONIOSA-N 2 1 336.480 1.417 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[N@H+]1CCOC ZINC000246742215 442808809 /nfs/dbraw/zinc/80/88/09/442808809.db2.gz ZCZOPBOYVAPIEJ-BRWVUGGUSA-N 2 1 325.497 1.853 20 0 EDADMP Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)c(OCC[NH+](C)C)c1 ZINC000182798185 442827162 /nfs/dbraw/zinc/82/71/62/442827162.db2.gz ZYLBIFBBDXZOQS-MRXNPFEDSA-N 2 1 348.491 1.510 20 0 EDADMP Cc1cc(N2CC[C@H](N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C2=O)n(C)n1 ZINC000247993752 442876127 /nfs/dbraw/zinc/87/61/27/442876127.db2.gz JRPXYKRXKUNZLU-PMPSAXMXSA-N 2 1 331.464 1.250 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCn3ccnc3)CC2)CC1 ZINC000183189855 442899070 /nfs/dbraw/zinc/89/90/70/442899070.db2.gz WDKUXGBUQPVHHQ-UHFFFAOYSA-N 2 1 333.480 1.149 20 0 EDADMP C[N@@H+](CCCO)C1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000189325469 442921260 /nfs/dbraw/zinc/92/12/60/442921260.db2.gz MGKIPSNHSVSBSE-UHFFFAOYSA-N 2 1 330.366 1.682 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000248742057 442922979 /nfs/dbraw/zinc/92/29/79/442922979.db2.gz DPUYKZJHHCVYLM-MSOLQXFVSA-N 2 1 325.497 1.632 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000248742057 442922981 /nfs/dbraw/zinc/92/29/81/442922981.db2.gz DPUYKZJHHCVYLM-MSOLQXFVSA-N 2 1 325.497 1.632 20 0 EDADMP C[C@H]([NH3+])CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000194939185 442970270 /nfs/dbraw/zinc/97/02/70/442970270.db2.gz JVFLIQRELSGXLB-SWLSCSKDSA-N 2 1 329.366 1.904 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCN2CCO[C@@H](C)C2)CC1 ZINC000249101951 442952089 /nfs/dbraw/zinc/95/20/89/442952089.db2.gz WLPLNJZKKBOCNP-OTWHNJEPSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC[NH+]2CCO[C@@H](C)C2)CC1 ZINC000249101951 442952092 /nfs/dbraw/zinc/95/20/92/442952092.db2.gz WLPLNJZKKBOCNP-OTWHNJEPSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC[NH+]2CCO[C@@H](C)C2)CC1 ZINC000249101951 442952095 /nfs/dbraw/zinc/95/20/95/442952095.db2.gz WLPLNJZKKBOCNP-OTWHNJEPSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(CC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000249101951 442952100 /nfs/dbraw/zinc/95/21/00/442952100.db2.gz WLPLNJZKKBOCNP-OTWHNJEPSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000249101951 442952102 /nfs/dbraw/zinc/95/21/02/442952102.db2.gz WLPLNJZKKBOCNP-OTWHNJEPSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCN2CCO[C@@H](C)C2)CC1 ZINC000249101951 442952105 /nfs/dbraw/zinc/95/21/05/442952105.db2.gz WLPLNJZKKBOCNP-OTWHNJEPSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCN2CCO[C@@H](C)C2)CC1 ZINC000249101951 442952108 /nfs/dbraw/zinc/95/21/08/442952108.db2.gz WLPLNJZKKBOCNP-OTWHNJEPSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C[C@@H]1[NH+](C)C ZINC000266181589 443048294 /nfs/dbraw/zinc/04/82/94/443048294.db2.gz LWAWHHHEWNMTIF-AYOQOUSVSA-N 2 1 345.487 1.593 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000184202174 443002068 /nfs/dbraw/zinc/00/20/68/443002068.db2.gz ZPIUTXJFIZTWND-UHFFFAOYSA-N 2 1 346.519 1.894 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000236754803 443146659 /nfs/dbraw/zinc/14/66/59/443146659.db2.gz CSCLHGRTLFOTSL-OALUTQOASA-N 2 1 346.519 1.807 20 0 EDADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCSc2ccccc21 ZINC000261762445 443168690 /nfs/dbraw/zinc/16/86/90/443168690.db2.gz VXUNRHWXHKFCGC-OAHLLOKOSA-N 2 1 346.500 1.105 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCSc2ccccc21 ZINC000261762445 443168696 /nfs/dbraw/zinc/16/86/96/443168696.db2.gz VXUNRHWXHKFCGC-OAHLLOKOSA-N 2 1 346.500 1.105 20 0 EDADMP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000261767526 443169262 /nfs/dbraw/zinc/16/92/62/443169262.db2.gz WOASWWNSTGOQGI-OAHLLOKOSA-N 2 1 332.448 1.029 20 0 EDADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000261767526 443169266 /nfs/dbraw/zinc/16/92/66/443169266.db2.gz WOASWWNSTGOQGI-OAHLLOKOSA-N 2 1 332.448 1.029 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261863985 443172656 /nfs/dbraw/zinc/17/26/56/443172656.db2.gz SLNWKBNDMVPMAG-NUJGCVRESA-N 2 1 337.508 1.853 20 0 EDADMP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c(OC)c1 ZINC000262052594 443181543 /nfs/dbraw/zinc/18/15/43/443181543.db2.gz ZSKWWTJEXOAJPJ-KURKYZTESA-N 2 1 334.460 1.993 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262321348 443190593 /nfs/dbraw/zinc/19/05/93/443190593.db2.gz RJZGZGFYMZBHDZ-IYBDPMFKSA-N 2 1 333.480 1.341 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000236938349 443151921 /nfs/dbraw/zinc/15/19/21/443151921.db2.gz HOMYMZKAAOJIHL-CVEARBPZSA-N 2 1 325.497 1.772 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262899232 443215699 /nfs/dbraw/zinc/21/56/99/443215699.db2.gz PITCDUWHQHRJIE-JQHSSLGASA-N 2 1 333.476 1.862 20 0 EDADMP C[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185744803 443248954 /nfs/dbraw/zinc/24/89/54/443248954.db2.gz SIFVPFWPHKPVCX-KBPBESRZSA-N 2 1 338.496 1.853 20 0 EDADMP C[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185744803 443248957 /nfs/dbraw/zinc/24/89/57/443248957.db2.gz SIFVPFWPHKPVCX-KBPBESRZSA-N 2 1 338.496 1.853 20 0 EDADMP COC[C@@]1(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]C1 ZINC000382723528 319124688 /nfs/dbraw/zinc/12/46/88/319124688.db2.gz PNMMOORXHVYOND-HXUWFJFHSA-N 2 1 345.487 1.736 20 0 EDADMP COC[C@@]1(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]C1 ZINC000382723528 319124689 /nfs/dbraw/zinc/12/46/89/319124689.db2.gz PNMMOORXHVYOND-HXUWFJFHSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)COC1CC[NH2+]CC1 ZINC000382752250 319124962 /nfs/dbraw/zinc/12/49/62/319124962.db2.gz CSMHBHTXFIEARZ-QGZVFWFLSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000397299118 319134203 /nfs/dbraw/zinc/13/42/03/319134203.db2.gz CSRBFEVMHMQUAM-IIAWOOMASA-N 2 1 339.505 1.742 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000397299118 319134205 /nfs/dbraw/zinc/13/42/05/319134205.db2.gz CSRBFEVMHMQUAM-IIAWOOMASA-N 2 1 339.505 1.742 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264198381 443254939 /nfs/dbraw/zinc/25/49/39/443254939.db2.gz DRYFGPSJRUMVFO-PKOBYXMFSA-N 2 1 346.519 1.822 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264198381 443254942 /nfs/dbraw/zinc/25/49/42/443254942.db2.gz DRYFGPSJRUMVFO-PKOBYXMFSA-N 2 1 346.519 1.822 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413861125 319295079 /nfs/dbraw/zinc/29/50/79/319295079.db2.gz NKNYAMREFZTCGG-KRWDZBQOSA-N 2 1 345.487 1.811 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413861125 319295081 /nfs/dbraw/zinc/29/50/81/319295081.db2.gz NKNYAMREFZTCGG-KRWDZBQOSA-N 2 1 345.487 1.811 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000414661968 319337795 /nfs/dbraw/zinc/33/77/95/319337795.db2.gz PHMIEJJFDGDIDK-HNNXBMFYSA-N 2 1 346.475 1.725 20 0 EDADMP C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414687969 319342873 /nfs/dbraw/zinc/34/28/73/319342873.db2.gz CIQYFTJMRLKLNS-RYRKJORJSA-N 2 1 331.460 1.646 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000415235882 319354938 /nfs/dbraw/zinc/35/49/38/319354938.db2.gz XHUULJURUYAZQL-AWEZNQCLSA-N 2 1 332.448 1.287 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000415235882 319354940 /nfs/dbraw/zinc/35/49/40/319354940.db2.gz XHUULJURUYAZQL-AWEZNQCLSA-N 2 1 332.448 1.287 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415244363 319356342 /nfs/dbraw/zinc/35/63/42/319356342.db2.gz XUHQOHPOTFQNGX-ZIAGYGMSSA-N 2 1 334.464 1.881 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000415940692 319384299 /nfs/dbraw/zinc/38/42/99/319384299.db2.gz FMFLTCDKJZIQCU-UHFFFAOYSA-N 2 1 347.463 1.082 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000415969435 319386018 /nfs/dbraw/zinc/38/60/18/319386018.db2.gz GUGUICDRBPGVQP-JKSUJKDBSA-N 2 1 330.432 1.917 20 0 EDADMP CC(C)C[C@H](CNC(=O)Nc1ncccc1C[NH3+])[NH+]1CCOCC1 ZINC000415999487 319388764 /nfs/dbraw/zinc/38/87/64/319388764.db2.gz VQURLIGFRFJRTI-OAHLLOKOSA-N 2 1 335.452 1.409 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000416152875 319392493 /nfs/dbraw/zinc/39/24/93/319392493.db2.gz ZKXLJGOZBFYLNB-IRXDYDNUSA-N 2 1 346.475 1.135 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269272740 443261389 /nfs/dbraw/zinc/26/13/89/443261389.db2.gz UFIYKIPIYXGPAW-NXHRZFHOSA-N 2 1 331.460 1.392 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000185834178 443267024 /nfs/dbraw/zinc/26/70/24/443267024.db2.gz KNXBQEWPGUDJOA-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)CC[N@H+]1C ZINC000186037691 443301789 /nfs/dbraw/zinc/30/17/89/443301789.db2.gz UTGUAHRJJPQUPB-HOCLYGCPSA-N 2 1 337.489 1.799 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000416934376 319478012 /nfs/dbraw/zinc/47/80/12/319478012.db2.gz DITYRWSEVREIQF-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000416949122 319483309 /nfs/dbraw/zinc/48/33/09/319483309.db2.gz ZOIIDOFFMFGOTF-SJORKVTESA-N 2 1 334.464 1.342 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000267062522 443328876 /nfs/dbraw/zinc/32/88/76/443328876.db2.gz ACTKYXGTRSAYNX-YJBOKZPZSA-N 2 1 333.476 1.641 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423405251 319771984 /nfs/dbraw/zinc/77/19/84/319771984.db2.gz SYWKMEATUPUVTR-IPYPFGDCSA-N 2 1 325.478 1.599 20 0 EDADMP COC(=O)CC1([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCC1 ZINC000279637992 443613612 /nfs/dbraw/zinc/61/36/12/443613612.db2.gz IWERCEYRJUHNER-UHFFFAOYSA-N 2 1 347.463 1.194 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452389916 320249111 /nfs/dbraw/zinc/24/91/11/320249111.db2.gz NBVXURYSIGSCJN-MRXNPFEDSA-N 2 1 349.475 1.204 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455838690 320304322 /nfs/dbraw/zinc/30/43/22/320304322.db2.gz CABBVWUXOGTKME-KSSFIOAISA-N 2 1 346.475 1.766 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000458596592 320337742 /nfs/dbraw/zinc/33/77/42/320337742.db2.gz OFPGSSHPCXRLOD-KRWDZBQOSA-N 2 1 339.528 1.137 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458787251 320341313 /nfs/dbraw/zinc/34/13/13/320341313.db2.gz MNRBNFXMZXMMAA-CVEARBPZSA-N 2 1 328.501 1.253 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458787251 320341314 /nfs/dbraw/zinc/34/13/14/320341314.db2.gz MNRBNFXMZXMMAA-CVEARBPZSA-N 2 1 328.501 1.253 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458787251 320341315 /nfs/dbraw/zinc/34/13/15/320341315.db2.gz MNRBNFXMZXMMAA-CVEARBPZSA-N 2 1 328.501 1.253 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000458791360 320341583 /nfs/dbraw/zinc/34/15/83/320341583.db2.gz PHTHFYSWBWFMKZ-HNNXBMFYSA-N 2 1 342.553 1.940 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000497263504 320421877 /nfs/dbraw/zinc/42/18/77/320421877.db2.gz TYSDGQHMBAGLRH-KRWDZBQOSA-N 2 1 327.469 1.479 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCc2cncn2C)CC[N@H+]1Cc1ccccc1 ZINC000292103837 443777086 /nfs/dbraw/zinc/77/70/86/443777086.db2.gz VQNODZUFBPNYKG-WMLDXEAASA-N 2 1 327.432 1.882 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](c3cccnc3)C3CC3)cn2)CC1 ZINC000536096947 320722146 /nfs/dbraw/zinc/72/21/46/320722146.db2.gz XWDKHEIHMINKKA-GOSISDBHSA-N 2 1 338.459 1.864 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1ccccc1 ZINC000288652020 443945261 /nfs/dbraw/zinc/94/52/61/443945261.db2.gz YCPUFKOHZRENGH-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1ccccc1 ZINC000288652020 443945266 /nfs/dbraw/zinc/94/52/66/443945266.db2.gz YCPUFKOHZRENGH-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)NC(=O)NCc1ccccc1 ZINC000281511669 443931357 /nfs/dbraw/zinc/93/13/57/443931357.db2.gz YSWXHFSNEXWNFE-UHFFFAOYSA-N 2 1 346.475 1.820 20 0 EDADMP COc1ccc(CC[C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1O ZINC000277342441 443967456 /nfs/dbraw/zinc/96/74/56/443967456.db2.gz YGUPXIRAMJLFHS-HNNXBMFYSA-N 2 1 349.475 1.476 20 0 EDADMP CCCN1C[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1=O ZINC000556839626 320994639 /nfs/dbraw/zinc/99/46/39/320994639.db2.gz NSPXZCGMEFHAQI-AWEZNQCLSA-N 2 1 345.447 1.030 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCn3cccn3)CC2)CC1 ZINC000561135889 321034318 /nfs/dbraw/zinc/03/43/18/321034318.db2.gz WJLQIOIKQWFTPY-UHFFFAOYSA-N 2 1 347.507 1.586 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCc3cnc4n3CCCC4)C2)C1 ZINC000562671543 321068481 /nfs/dbraw/zinc/06/84/81/321068481.db2.gz BYGPSMJDRYBDNU-GOSISDBHSA-N 2 1 331.464 1.847 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCc3c[nH+]c4n3CCCC4)C2)C1 ZINC000562671543 321068484 /nfs/dbraw/zinc/06/84/84/321068484.db2.gz BYGPSMJDRYBDNU-GOSISDBHSA-N 2 1 331.464 1.847 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000562680886 321069547 /nfs/dbraw/zinc/06/95/47/321069547.db2.gz MYCMUEBEKCMFNN-QGZVFWFLSA-N 2 1 345.491 1.662 20 0 EDADMP C[NH+](C)CCn1c2cc(NC[C@H](O)C[N@@H+](C)C3CC3)ccc2oc1=O ZINC000564863130 321153075 /nfs/dbraw/zinc/15/30/75/321153075.db2.gz IFNKGTOIWRHARO-HNNXBMFYSA-N 2 1 348.447 1.023 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000564950418 321159356 /nfs/dbraw/zinc/15/93/56/321159356.db2.gz ANGYHDMDNQZVSP-UHFFFAOYSA-N 2 1 333.480 1.582 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCO[C@H](C)C3)CC2)CC1 ZINC000565192004 321176423 /nfs/dbraw/zinc/17/64/23/321176423.db2.gz MJRRVLISMRXGNF-WBVHZDCISA-N 2 1 337.508 1.866 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2cc(C)ccc2C)CC1 ZINC000565652500 321194906 /nfs/dbraw/zinc/19/49/06/321194906.db2.gz SRQCAFQESVMQBX-SFHVURJKSA-N 2 1 336.476 1.744 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccc(Oc4cnccn4)cc3)CCN2C1=O ZINC000565843674 321203011 /nfs/dbraw/zinc/20/30/11/321203011.db2.gz PXPAFTBQGMZKBT-GOEBONIOSA-N 2 1 339.399 1.013 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccc(Oc4cnccn4)cc3)CCN2C1=O ZINC000565843674 321203013 /nfs/dbraw/zinc/20/30/13/321203013.db2.gz PXPAFTBQGMZKBT-GOEBONIOSA-N 2 1 339.399 1.013 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000565881413 321204657 /nfs/dbraw/zinc/20/46/57/321204657.db2.gz JUAMJNCJFSPTRS-MSOLQXFVSA-N 2 1 346.475 1.329 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000565882028 321204829 /nfs/dbraw/zinc/20/48/29/321204829.db2.gz RZALGFLUXYPPGF-ZIAGYGMSSA-N 2 1 339.509 1.025 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000565882020 321204839 /nfs/dbraw/zinc/20/48/39/321204839.db2.gz RZALGFLUXYPPGF-KBPBESRZSA-N 2 1 339.509 1.025 20 0 EDADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000567471470 321242640 /nfs/dbraw/zinc/24/26/40/321242640.db2.gz NNQNYNUKDBJSQU-LSDHHAIUSA-N 2 1 348.491 1.385 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CC3(O)CCCC3)c2)C1 ZINC000567692473 321253239 /nfs/dbraw/zinc/25/32/39/321253239.db2.gz UULWZXSSHQAZSW-GOSISDBHSA-N 2 1 345.487 1.779 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000567806491 321259047 /nfs/dbraw/zinc/25/90/47/321259047.db2.gz OHMCTAPKTSSKFX-YJBOKZPZSA-N 2 1 346.475 1.249 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000568183978 321278958 /nfs/dbraw/zinc/27/89/58/321278958.db2.gz HXJOBEVMTDBPRO-QGZVFWFLSA-N 2 1 341.459 1.449 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1Cn1cnc2ccccc21)C1CC1 ZINC000289297169 444099786 /nfs/dbraw/zinc/09/97/86/444099786.db2.gz CAYXAXRIZBCWFT-DLBZAZTESA-N 2 1 328.460 1.956 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1Cn1cnc2ccccc21)C1CC1 ZINC000289297169 444099790 /nfs/dbraw/zinc/09/97/90/444099790.db2.gz CAYXAXRIZBCWFT-DLBZAZTESA-N 2 1 328.460 1.956 20 0 EDADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21)C1CC1 ZINC000289297169 444099792 /nfs/dbraw/zinc/09/97/92/444099792.db2.gz CAYXAXRIZBCWFT-DLBZAZTESA-N 2 1 328.460 1.956 20 0 EDADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21)C1CC1 ZINC000289297169 444099795 /nfs/dbraw/zinc/09/97/95/444099795.db2.gz CAYXAXRIZBCWFT-DLBZAZTESA-N 2 1 328.460 1.956 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000569927878 321332154 /nfs/dbraw/zinc/33/21/54/321332154.db2.gz OQVIIXCCVBISDG-RRFJBIMHSA-N 2 1 340.512 1.245 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[NH2+]1 ZINC000570028690 321334750 /nfs/dbraw/zinc/33/47/50/321334750.db2.gz JLGCAAYMARGUBT-QAPCUYQASA-N 2 1 346.475 1.459 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000570616761 321350045 /nfs/dbraw/zinc/35/00/45/321350045.db2.gz HKEBMVUXHZKKAO-HZPDHXFCSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000570616761 321350046 /nfs/dbraw/zinc/35/00/46/321350046.db2.gz HKEBMVUXHZKKAO-HZPDHXFCSA-N 2 1 325.497 1.555 20 0 EDADMP O=S(=O)(c1ccc(F)cc1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000571423226 321386848 /nfs/dbraw/zinc/38/68/48/321386848.db2.gz JBJWFAGWGDPYLA-AWEZNQCLSA-N 2 1 341.452 1.132 20 0 EDADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000571676922 321397053 /nfs/dbraw/zinc/39/70/53/321397053.db2.gz RJMWHBOKKPBBLC-CXAGYDPISA-N 2 1 325.416 1.535 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)[NH+]1CCOCC1 ZINC000571773457 321399737 /nfs/dbraw/zinc/39/97/37/321399737.db2.gz YTHWBMZAKQSUIT-YVSFHVDLSA-N 2 1 338.496 1.112 20 0 EDADMP COc1cc[nH+]c(N2CCN(Cc3cnc([C@H](C)O)s3)CC2)c1 ZINC000289319739 444106684 /nfs/dbraw/zinc/10/66/84/444106684.db2.gz JWOHIVGMWIUQCL-LBPRGKRZSA-N 2 1 334.445 1.922 20 0 EDADMP C[C@H]([NH2+][C@H]1COC[C@H]1n1ccnn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289532970 444165942 /nfs/dbraw/zinc/16/59/42/444165942.db2.gz QANHKAZBLZYSDO-DSLXNQLJSA-N 2 1 341.459 1.718 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000285834884 444124070 /nfs/dbraw/zinc/12/40/70/444124070.db2.gz VQUYLGQRCDIINU-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP Cc1nccn1-c1cncc(N[C@H](C)CCN2CC[NH+](C)CC2)n1 ZINC000302299939 444211396 /nfs/dbraw/zinc/21/13/96/444211396.db2.gz YHQSXMWQXUYJML-CQSZACIVSA-N 2 1 329.452 1.409 20 0 EDADMP CCCN(C(=O)[C@@H](C[NH3+])OC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000289903857 444217680 /nfs/dbraw/zinc/21/76/80/444217680.db2.gz JFTRSFOGIBEKFW-QZTJIDSGSA-N 2 1 333.476 1.863 20 0 EDADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000304409602 444249191 /nfs/dbraw/zinc/24/91/91/444249191.db2.gz UFWOKUMLGVAHDC-LFDJNIOPSA-N 2 1 339.524 1.404 20 0 EDADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000304409602 444249193 /nfs/dbraw/zinc/24/91/93/444249193.db2.gz UFWOKUMLGVAHDC-LFDJNIOPSA-N 2 1 339.524 1.404 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000290311180 444265464 /nfs/dbraw/zinc/26/54/64/444265464.db2.gz GBDHZMSNQYGKKQ-OAHLLOKOSA-N 2 1 348.491 1.923 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)C1CC1 ZINC000289980015 444226408 /nfs/dbraw/zinc/22/64/08/444226408.db2.gz XRKDBXPVSBBFED-ZGXWSNOMSA-N 2 1 330.472 1.946 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)C1CC1 ZINC000289980015 444226410 /nfs/dbraw/zinc/22/64/10/444226410.db2.gz XRKDBXPVSBBFED-ZGXWSNOMSA-N 2 1 330.472 1.946 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)C1CC1 ZINC000289980015 444226411 /nfs/dbraw/zinc/22/64/11/444226411.db2.gz XRKDBXPVSBBFED-ZGXWSNOMSA-N 2 1 330.472 1.946 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)C1CC1 ZINC000289980015 444226413 /nfs/dbraw/zinc/22/64/13/444226413.db2.gz XRKDBXPVSBBFED-ZGXWSNOMSA-N 2 1 330.472 1.946 20 0 EDADMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303268822 444235659 /nfs/dbraw/zinc/23/56/59/444235659.db2.gz JBHXIKLMDLRQEV-LSDHHAIUSA-N 2 1 327.513 1.704 20 0 EDADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000290077470 444239291 /nfs/dbraw/zinc/23/92/91/444239291.db2.gz IQFAZWUPEUGRPO-RBUKOAKNSA-N 2 1 344.503 1.655 20 0 EDADMP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000305755174 444277780 /nfs/dbraw/zinc/27/77/80/444277780.db2.gz AKKZATGDOVVRCE-BZUAXINKSA-N 2 1 332.510 1.169 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305766535 444279667 /nfs/dbraw/zinc/27/96/67/444279667.db2.gz RWWJYSZGUOPODF-ZAWLATJESA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305766535 444279668 /nfs/dbraw/zinc/27/96/68/444279668.db2.gz RWWJYSZGUOPODF-ZAWLATJESA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C)[C@H](O)C1 ZINC000305766535 444279669 /nfs/dbraw/zinc/27/96/69/444279669.db2.gz RWWJYSZGUOPODF-ZAWLATJESA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C)[C@H](O)C1 ZINC000305766535 444279671 /nfs/dbraw/zinc/27/96/71/444279671.db2.gz RWWJYSZGUOPODF-ZAWLATJESA-N 2 1 345.487 1.468 20 0 EDADMP C[NH+](C)C[C@](C)(O)CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000305832995 444282908 /nfs/dbraw/zinc/28/29/08/444282908.db2.gz FBJJRIIFFGGYGU-IYWMVGAKSA-N 2 1 331.504 1.799 20 0 EDADMP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CO2 ZINC000297826133 444339155 /nfs/dbraw/zinc/33/91/55/444339155.db2.gz RONHANIVYVGZMX-DLBZAZTESA-N 2 1 334.460 1.825 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000578608005 321800859 /nfs/dbraw/zinc/80/08/59/321800859.db2.gz YTIFBGACROTKBJ-KFWWJZLASA-N 2 1 326.485 1.173 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@H]1CCC[NH2+]C1 ZINC000578738908 321822055 /nfs/dbraw/zinc/82/20/55/321822055.db2.gz NGDXHCKZEWQROZ-KRWDZBQOSA-N 2 1 332.448 1.435 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000340518596 444423194 /nfs/dbraw/zinc/42/31/94/444423194.db2.gz OMAMYZQFOKPINJ-UHOSZYNNSA-N 2 1 349.519 1.866 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000580711581 322085619 /nfs/dbraw/zinc/08/56/19/322085619.db2.gz IHJRLZBEKZSPRL-UHOSZYNNSA-N 2 1 344.503 1.479 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000580711581 322085622 /nfs/dbraw/zinc/08/56/22/322085622.db2.gz IHJRLZBEKZSPRL-UHOSZYNNSA-N 2 1 344.503 1.479 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000580711581 322085625 /nfs/dbraw/zinc/08/56/25/322085625.db2.gz IHJRLZBEKZSPRL-UHOSZYNNSA-N 2 1 344.503 1.479 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NCC[N@@H+]1CCCC1(C)C)n2C ZINC000580996453 322121708 /nfs/dbraw/zinc/12/17/08/322121708.db2.gz GJYZJVBBEWFODJ-UHFFFAOYSA-N 2 1 344.463 1.639 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NCC[N@H+]1CCCC1(C)C)n2C ZINC000580996453 322121709 /nfs/dbraw/zinc/12/17/09/322121709.db2.gz GJYZJVBBEWFODJ-UHFFFAOYSA-N 2 1 344.463 1.639 20 0 EDADMP CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581014318 322124985 /nfs/dbraw/zinc/12/49/85/322124985.db2.gz SXJWDZSRTXNWFZ-FGTMMUONSA-N 2 1 331.460 1.534 20 0 EDADMP CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581014318 322124986 /nfs/dbraw/zinc/12/49/86/322124986.db2.gz SXJWDZSRTXNWFZ-FGTMMUONSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581074487 322132849 /nfs/dbraw/zinc/13/28/49/322132849.db2.gz NDRROOPCKUYWFR-SZMVWBNQSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581074487 322132850 /nfs/dbraw/zinc/13/28/50/322132850.db2.gz NDRROOPCKUYWFR-SZMVWBNQSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H](C(=O)NC1CC1)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000581076282 322132854 /nfs/dbraw/zinc/13/28/54/322132854.db2.gz CMLAZQHZORYEQS-HNNXBMFYSA-N 2 1 342.487 1.117 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)CCCC[NH3+])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000581308415 322162212 /nfs/dbraw/zinc/16/22/12/322162212.db2.gz MUGLZWFASDUUDO-QGZVFWFLSA-N 2 1 346.475 1.920 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000581424386 322175831 /nfs/dbraw/zinc/17/58/31/322175831.db2.gz MJUMNOGAHKGZPD-INIZCTEOSA-N 2 1 342.867 1.780 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000582002645 322243418 /nfs/dbraw/zinc/24/34/18/322243418.db2.gz XDGSQMMSPQZCFQ-KZNAEPCWSA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000582002645 322243420 /nfs/dbraw/zinc/24/34/20/322243420.db2.gz XDGSQMMSPQZCFQ-KZNAEPCWSA-N 2 1 331.460 1.521 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC[N@@H+]1C ZINC000332237527 444506325 /nfs/dbraw/zinc/50/63/25/444506325.db2.gz SVUVIXJXGOQWJI-SUYBPPKGSA-N 2 1 337.489 1.784 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC[N@H+]1C ZINC000332237527 444506327 /nfs/dbraw/zinc/50/63/27/444506327.db2.gz SVUVIXJXGOQWJI-SUYBPPKGSA-N 2 1 337.489 1.784 20 0 EDADMP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000329229824 444506908 /nfs/dbraw/zinc/50/69/08/444506908.db2.gz JOGQNYPWZPGVFW-GOSISDBHSA-N 2 1 342.447 1.390 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000329229824 444506913 /nfs/dbraw/zinc/50/69/13/444506913.db2.gz JOGQNYPWZPGVFW-GOSISDBHSA-N 2 1 342.447 1.390 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342129105 444524631 /nfs/dbraw/zinc/52/46/31/444524631.db2.gz NDOUVURBIKBECY-CGTJXYLNSA-N 2 1 331.460 1.508 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342129105 444524637 /nfs/dbraw/zinc/52/46/37/444524637.db2.gz NDOUVURBIKBECY-CGTJXYLNSA-N 2 1 331.460 1.508 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342135906 444527456 /nfs/dbraw/zinc/52/74/56/444527456.db2.gz QOTORXZJBCQLCT-JQHSSLGASA-N 2 1 331.460 1.549 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342135906 444527458 /nfs/dbraw/zinc/52/74/58/444527458.db2.gz QOTORXZJBCQLCT-JQHSSLGASA-N 2 1 331.460 1.549 20 0 EDADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000333010892 444628536 /nfs/dbraw/zinc/62/85/36/444628536.db2.gz SCEOCOMDHTVDNB-FGTMMUONSA-N 2 1 335.492 1.497 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCC[N@H+]1C ZINC000343823108 444611890 /nfs/dbraw/zinc/61/18/90/444611890.db2.gz SZWWIACZCNBNGC-VYDXJSESSA-N 2 1 338.496 1.269 20 0 EDADMP CC[NH+](CC)CCC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000338301407 444618959 /nfs/dbraw/zinc/61/89/59/444618959.db2.gz IXGNORDXYBFSES-IRXDYDNUSA-N 2 1 339.503 1.996 20 0 EDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000338301407 444618965 /nfs/dbraw/zinc/61/89/65/444618965.db2.gz IXGNORDXYBFSES-IRXDYDNUSA-N 2 1 339.503 1.996 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343920790 444670441 /nfs/dbraw/zinc/67/04/41/444670441.db2.gz ILQWYWQMGSAJKP-GGPKGHCWSA-N 2 1 347.503 1.384 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000341098235 444672992 /nfs/dbraw/zinc/67/29/92/444672992.db2.gz YRJCNDQZOJVUFS-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)C1CC1 ZINC000341105068 444676534 /nfs/dbraw/zinc/67/65/34/444676534.db2.gz FMOBZGJHJSTAGN-UHFFFAOYSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000341191825 444720332 /nfs/dbraw/zinc/72/03/32/444720332.db2.gz GBMCJIMKABSKOU-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000341191825 444720333 /nfs/dbraw/zinc/72/03/33/444720333.db2.gz GBMCJIMKABSKOU-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000333926859 444720884 /nfs/dbraw/zinc/72/08/84/444720884.db2.gz VWDNJGHNGIAJNO-INIZCTEOSA-N 2 1 338.496 1.272 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000333946310 444726032 /nfs/dbraw/zinc/72/60/32/444726032.db2.gz UMRFRCAUMNEWGD-ZNMIVQPWSA-N 2 1 326.485 1.031 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000344055239 444752940 /nfs/dbraw/zinc/75/29/40/444752940.db2.gz GTERGAOURVNADL-OAHLLOKOSA-N 2 1 339.505 1.997 20 0 EDADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000344055239 444752950 /nfs/dbraw/zinc/75/29/50/444752950.db2.gz GTERGAOURVNADL-OAHLLOKOSA-N 2 1 339.505 1.997 20 0 EDADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000344055239 444752954 /nfs/dbraw/zinc/75/29/54/444752954.db2.gz GTERGAOURVNADL-OAHLLOKOSA-N 2 1 339.505 1.997 20 0 EDADMP CCc1nccn1[C@@H]1CCCN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000334078132 444772034 /nfs/dbraw/zinc/77/20/34/444772034.db2.gz KNQIJDFYBDHSOO-MRXNPFEDSA-N 2 1 349.479 1.514 20 0 EDADMP COC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336719756 444796384 /nfs/dbraw/zinc/79/63/84/444796384.db2.gz RTWBHQMOHHFQTK-ZHALLVOQSA-N 2 1 332.444 1.364 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336719756 444796389 /nfs/dbraw/zinc/79/63/89/444796389.db2.gz RTWBHQMOHHFQTK-ZHALLVOQSA-N 2 1 332.444 1.364 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336719756 444796392 /nfs/dbraw/zinc/79/63/92/444796392.db2.gz RTWBHQMOHHFQTK-ZHALLVOQSA-N 2 1 332.444 1.364 20 0 EDADMP COc1cccc(CNC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000336877699 444823247 /nfs/dbraw/zinc/82/32/47/444823247.db2.gz UEUWPYGPAUWLGZ-UHFFFAOYSA-N 2 1 335.448 1.141 20 0 EDADMP CCC1(CC)[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@@H]1OC ZINC000344178712 444824015 /nfs/dbraw/zinc/82/40/15/444824015.db2.gz VTIFNSMSXCEILW-XHSDSOJGSA-N 2 1 325.497 1.757 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000342718479 444832819 /nfs/dbraw/zinc/83/28/19/444832819.db2.gz FBOPRQLOMGSBSW-CQSZACIVSA-N 2 1 333.423 1.237 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000342732654 444839211 /nfs/dbraw/zinc/83/92/11/444839211.db2.gz KRCNMCBNXATPBM-DZGCQCFKSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000342732654 444839216 /nfs/dbraw/zinc/83/92/16/444839216.db2.gz KRCNMCBNXATPBM-DZGCQCFKSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000344237061 444856150 /nfs/dbraw/zinc/85/61/50/444856150.db2.gz NVHHESUOQXFTSI-HOTGVXAUSA-N 2 1 325.497 1.676 20 0 EDADMP CC[N@@H+](CCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000338803501 444859633 /nfs/dbraw/zinc/85/96/33/444859633.db2.gz QSMZUTCEQFIKMS-HOTGVXAUSA-N 2 1 328.501 1.515 20 0 EDADMP CC(C)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)[NH+]1CCCCC1 ZINC000342949188 444959858 /nfs/dbraw/zinc/95/98/58/444959858.db2.gz BWAUONCEXMJLLS-ROUUACIJSA-N 2 1 339.524 1.850 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000341917879 445072012 /nfs/dbraw/zinc/07/20/12/445072012.db2.gz FPUSNUJTALZGSK-AOIWGVFYSA-N 2 1 345.487 1.906 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2noc3c2CCCC3)CC1 ZINC000619176591 450421630 /nfs/dbraw/zinc/42/16/30/450421630.db2.gz DZTRHJXETOCTHX-UHFFFAOYSA-N 2 1 341.415 1.953 20 0 EDADMP CC(C)[C@H](CNC(=O)NCCC[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000339410879 445136549 /nfs/dbraw/zinc/13/65/49/445136549.db2.gz YNWFOINZARZFAZ-KRWDZBQOSA-N 2 1 339.528 1.044 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccsc1 ZINC000343192212 445125831 /nfs/dbraw/zinc/12/58/31/445125831.db2.gz SWADPKKDGSISFP-KBPBESRZSA-N 2 1 327.519 1.904 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000344684951 445127282 /nfs/dbraw/zinc/12/72/82/445127282.db2.gz AUALCBJTGDFNLO-QGZVFWFLSA-N 2 1 336.524 1.347 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000344684951 445127284 /nfs/dbraw/zinc/12/72/84/445127284.db2.gz AUALCBJTGDFNLO-QGZVFWFLSA-N 2 1 336.524 1.347 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000344684951 445127287 /nfs/dbraw/zinc/12/72/87/445127287.db2.gz AUALCBJTGDFNLO-QGZVFWFLSA-N 2 1 336.524 1.347 20 0 EDADMP CC(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1 ZINC000345090747 445162893 /nfs/dbraw/zinc/16/28/93/445162893.db2.gz AHUBZEVPPYRENI-QFBILLFUSA-N 2 1 345.491 1.687 20 0 EDADMP OC[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000339755288 445166647 /nfs/dbraw/zinc/16/66/47/445166647.db2.gz XDOKRADYJNBRLF-QZTJIDSGSA-N 2 1 328.497 1.192 20 0 EDADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccccc1 ZINC000343265660 445168512 /nfs/dbraw/zinc/16/85/12/445168512.db2.gz FCLLBKFNFKIFGM-WMZOPIPTSA-N 2 1 344.503 1.622 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000342097207 445170534 /nfs/dbraw/zinc/17/05/34/445170534.db2.gz SLJDCEVGMGCZKH-CRAIPNDOSA-N 2 1 330.476 1.570 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342116759 445180673 /nfs/dbraw/zinc/18/06/73/445180673.db2.gz YQXFDBIRBSEJDZ-CWRNSKLLSA-N 2 1 330.432 1.173 20 0 EDADMP COc1ccccc1CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342116613 445181416 /nfs/dbraw/zinc/18/14/16/445181416.db2.gz YDBJQDAIWBAEHU-XIRDDKMYSA-N 2 1 331.460 1.713 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000339550138 445149152 /nfs/dbraw/zinc/14/91/52/445149152.db2.gz ZOOVXCVQXOGVJJ-OIISXLGYSA-N 2 1 334.508 1.985 20 0 EDADMP CCn1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000346065868 445205670 /nfs/dbraw/zinc/20/56/70/445205670.db2.gz KDLOWWPERUVWHN-CZUORRHYSA-N 2 1 335.496 1.758 20 0 EDADMP CCn1nc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000346065868 445205671 /nfs/dbraw/zinc/20/56/71/445205671.db2.gz KDLOWWPERUVWHN-CZUORRHYSA-N 2 1 335.496 1.758 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348093168 445265548 /nfs/dbraw/zinc/26/55/48/445265548.db2.gz ZEGPAHBXRDSUOQ-HZPDHXFCSA-N 2 1 332.427 1.526 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348093168 445265552 /nfs/dbraw/zinc/26/55/52/445265552.db2.gz ZEGPAHBXRDSUOQ-HZPDHXFCSA-N 2 1 332.427 1.526 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000348201543 445314172 /nfs/dbraw/zinc/31/41/72/445314172.db2.gz PMKIDESLBFVIEU-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000348201543 445314175 /nfs/dbraw/zinc/31/41/75/445314175.db2.gz PMKIDESLBFVIEU-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP CCC(CC)[C@H](C(=O)N(CC)CCC[NH+](C)C)[NH+]1CCOCC1 ZINC000348141498 445287277 /nfs/dbraw/zinc/28/72/77/445287277.db2.gz GELGJFHVNUNUBL-QGZVFWFLSA-N 2 1 327.513 1.924 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000354673876 445335691 /nfs/dbraw/zinc/33/56/91/445335691.db2.gz OUMKXBCIFGSPDI-ULQDDVLXSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000354673876 445335693 /nfs/dbraw/zinc/33/56/93/445335693.db2.gz OUMKXBCIFGSPDI-ULQDDVLXSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000351842469 445340374 /nfs/dbraw/zinc/34/03/74/445340374.db2.gz NDDXIKPMHSPRFC-OAHLLOKOSA-N 2 1 334.464 1.268 20 0 EDADMP C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000348641449 445343227 /nfs/dbraw/zinc/34/32/27/445343227.db2.gz JIDZPTVTHNMKIX-WMZOPIPTSA-N 2 1 347.507 1.744 20 0 EDADMP C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000348641449 445343228 /nfs/dbraw/zinc/34/32/28/445343228.db2.gz JIDZPTVTHNMKIX-WMZOPIPTSA-N 2 1 347.507 1.744 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351865439 445347818 /nfs/dbraw/zinc/34/78/18/445347818.db2.gz MVQSBPCMKDGVSM-DOTOQJQBSA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351865439 445347819 /nfs/dbraw/zinc/34/78/19/445347819.db2.gz MVQSBPCMKDGVSM-DOTOQJQBSA-N 2 1 333.476 1.897 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000348840593 445409810 /nfs/dbraw/zinc/40/98/10/445409810.db2.gz IMXSFCJQRALTNY-LJQANCHMSA-N 2 1 345.487 1.350 20 0 EDADMP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CCOCC[NH3+])C2)cc1 ZINC000357110467 445434250 /nfs/dbraw/zinc/43/42/50/445434250.db2.gz XLWONDCJINXYEH-MRXNPFEDSA-N 2 1 334.464 1.804 20 0 EDADMP C[NH2+][C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnn(C)c1 ZINC000357170324 445465531 /nfs/dbraw/zinc/46/55/31/445465531.db2.gz DXPZMPXZZHSSHM-INMHGKMJSA-N 2 1 335.496 1.555 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000355581765 445469609 /nfs/dbraw/zinc/46/96/09/445469609.db2.gz ZWCMVNBUVVQOCS-PKOBYXMFSA-N 2 1 342.487 1.328 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000355581765 445469614 /nfs/dbraw/zinc/46/96/14/445469614.db2.gz ZWCMVNBUVVQOCS-PKOBYXMFSA-N 2 1 342.487 1.328 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000362711519 445512410 /nfs/dbraw/zinc/51/24/10/445512410.db2.gz QFELUWLYJRIDGZ-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000362711519 445512415 /nfs/dbraw/zinc/51/24/15/445512415.db2.gz QFELUWLYJRIDGZ-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362711519 445512418 /nfs/dbraw/zinc/51/24/18/445512418.db2.gz QFELUWLYJRIDGZ-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362711519 445512420 /nfs/dbraw/zinc/51/24/20/445512420.db2.gz QFELUWLYJRIDGZ-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP CC[C@H](C(=O)N1CCC[NH+]([C@@H](C)CO)CC1)[N@@H+](C)Cc1ccccc1 ZINC000355974210 445552063 /nfs/dbraw/zinc/55/20/63/445552063.db2.gz SWXQIWHKIZEPDM-PKOBYXMFSA-N 2 1 347.503 1.812 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000356137146 445641157 /nfs/dbraw/zinc/64/11/57/445641157.db2.gz ZLWWQXDRYHACHM-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000356137146 445641162 /nfs/dbraw/zinc/64/11/62/445641162.db2.gz ZLWWQXDRYHACHM-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000362923135 445611696 /nfs/dbraw/zinc/61/16/96/445611696.db2.gz QRUXYLCXKPAXQX-AWEZNQCLSA-N 2 1 332.423 1.984 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000358277700 445615536 /nfs/dbraw/zinc/61/55/36/445615536.db2.gz PZLBUBPBGAMXLE-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)C[C@@H]1CC ZINC000353431669 445598444 /nfs/dbraw/zinc/59/84/44/445598444.db2.gz RHYMQESSMKGGAD-GVDBMIGSSA-N 2 1 325.497 1.580 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)CCN1CCCS1(=O)=O ZINC000353552583 445653423 /nfs/dbraw/zinc/65/34/23/445653423.db2.gz ZDZUWBFVCNHJHY-UHFFFAOYSA-N 2 1 329.466 1.069 20 0 EDADMP CN(CCC[N@H+](C)CCN1CCCS1(=O)=O)Cc1ccco1 ZINC000353552583 445653426 /nfs/dbraw/zinc/65/34/26/445653426.db2.gz ZDZUWBFVCNHJHY-UHFFFAOYSA-N 2 1 329.466 1.069 20 0 EDADMP CN(CCC[N@@H+](C)CCN1CCCS1(=O)=O)Cc1ccco1 ZINC000353552583 445653430 /nfs/dbraw/zinc/65/34/30/445653430.db2.gz ZDZUWBFVCNHJHY-UHFFFAOYSA-N 2 1 329.466 1.069 20 0 EDADMP Cc1ccc(NCCCNC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1 ZINC000363041254 445658339 /nfs/dbraw/zinc/65/83/39/445658339.db2.gz NCTYKZJHUNJWQN-ALOPSCKCSA-N 2 1 345.491 2.364 20 0 EDADMP Cc1ccc(NCCCNC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]c1 ZINC000363041254 445658341 /nfs/dbraw/zinc/65/83/41/445658341.db2.gz NCTYKZJHUNJWQN-ALOPSCKCSA-N 2 1 345.491 2.364 20 0 EDADMP Cc1ccc(NCCCNC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]c1 ZINC000363041254 445658343 /nfs/dbraw/zinc/65/83/43/445658343.db2.gz NCTYKZJHUNJWQN-ALOPSCKCSA-N 2 1 345.491 2.364 20 0 EDADMP CCc1ccc([C@H](CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000358691346 445719754 /nfs/dbraw/zinc/71/97/54/445719754.db2.gz YPJHNBITPRZXAR-HKUYNNGSSA-N 2 1 348.491 1.218 20 0 EDADMP CN1CC[NH+](C2(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CCCC2)CC1 ZINC000363137399 445692880 /nfs/dbraw/zinc/69/28/80/445692880.db2.gz YLPUKKCQSVBJLL-SJORKVTESA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)OCC[C@@H](O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349851565 445699220 /nfs/dbraw/zinc/69/92/20/445699220.db2.gz HPLUNODISZZKKD-FUHWJXTLSA-N 2 1 327.513 1.263 20 0 EDADMP Cc1[nH]nc2ncc(C[NH2+]CC(=O)NCC[NH+]3CCCCCC3)cc12 ZINC000353671618 445701903 /nfs/dbraw/zinc/70/19/03/445701903.db2.gz LDJHNSLIZCZDSV-UHFFFAOYSA-N 2 1 344.463 1.348 20 0 EDADMP CC(C)C[N@@H+]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000363250581 445739949 /nfs/dbraw/zinc/73/99/49/445739949.db2.gz PSZURUUGTGNQQK-KRWDZBQOSA-N 2 1 340.512 1.328 20 0 EDADMP CC(C)C[N@H+]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000363250581 445739953 /nfs/dbraw/zinc/73/99/53/445739953.db2.gz PSZURUUGTGNQQK-KRWDZBQOSA-N 2 1 340.512 1.328 20 0 EDADMP CC[C@H]1CN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000361009310 445743859 /nfs/dbraw/zinc/74/38/59/445743859.db2.gz JWQYSYFZZXUSLM-CABCVRRESA-N 2 1 335.496 1.947 20 0 EDADMP CC[C@H]1CN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC[N@H+]1C[C@@H](C)O ZINC000361009310 445743862 /nfs/dbraw/zinc/74/38/62/445743862.db2.gz JWQYSYFZZXUSLM-CABCVRRESA-N 2 1 335.496 1.947 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)cn2)CC1 ZINC000353767454 445744724 /nfs/dbraw/zinc/74/47/24/445744724.db2.gz LASNDFQXHPDWKG-LJQANCHMSA-N 2 1 345.491 1.621 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@]4(CCCOC4)C3)cn2)CC1 ZINC000353767454 445744728 /nfs/dbraw/zinc/74/47/28/445744728.db2.gz LASNDFQXHPDWKG-LJQANCHMSA-N 2 1 345.491 1.621 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](CCN2C(=O)CNC2=O)CC1)CC(C)C ZINC000358737512 445750951 /nfs/dbraw/zinc/75/09/51/445750951.db2.gz ASKDWEZGLSLCFB-UHFFFAOYSA-N 2 1 338.496 1.618 20 0 EDADMP CN(CC[N@@H+]1CCCOCC1)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000361391371 445762951 /nfs/dbraw/zinc/76/29/51/445762951.db2.gz OZRJTYDXDKOLCF-PKOBYXMFSA-N 2 1 349.523 1.457 20 0 EDADMP CN(CC[N@H+]1CCCOCC1)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000361391371 445762956 /nfs/dbraw/zinc/76/29/56/445762956.db2.gz OZRJTYDXDKOLCF-PKOBYXMFSA-N 2 1 349.523 1.457 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000361391371 445762962 /nfs/dbraw/zinc/76/29/62/445762962.db2.gz OZRJTYDXDKOLCF-PKOBYXMFSA-N 2 1 349.523 1.457 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000361391371 445762966 /nfs/dbraw/zinc/76/29/66/445762966.db2.gz OZRJTYDXDKOLCF-PKOBYXMFSA-N 2 1 349.523 1.457 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000353801806 445763361 /nfs/dbraw/zinc/76/33/61/445763361.db2.gz UHCMMYHMFODDQU-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000353801806 445763365 /nfs/dbraw/zinc/76/33/65/445763365.db2.gz UHCMMYHMFODDQU-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1C ZINC000353801806 445763367 /nfs/dbraw/zinc/76/33/67/445763367.db2.gz UHCMMYHMFODDQU-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C[C@@H]1C ZINC000353801806 445763370 /nfs/dbraw/zinc/76/33/70/445763370.db2.gz UHCMMYHMFODDQU-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP COC(=O)CCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358866759 445820339 /nfs/dbraw/zinc/82/03/39/445820339.db2.gz UMAWOPBSVMFPIU-HZPDHXFCSA-N 2 1 342.480 1.530 20 0 EDADMP Cc1cccc(NC2CC[NH+](CCN3C(=O)NC(C)(C)C3=O)CC2)[nH+]1 ZINC000361514802 445797876 /nfs/dbraw/zinc/79/78/76/445797876.db2.gz MOQYFUACJLKVCL-UHFFFAOYSA-N 2 1 345.447 1.597 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2(O)CCOCC2)[C@@H](C)C1 ZINC000353904631 445806890 /nfs/dbraw/zinc/80/68/90/445806890.db2.gz AXERHNXGDOQOFX-DLBZAZTESA-N 2 1 328.497 1.645 20 0 EDADMP CCOC(=O)CCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000361686708 445877891 /nfs/dbraw/zinc/87/78/91/445877891.db2.gz LCDAOLPWUDDCDD-MRXNPFEDSA-N 2 1 339.480 1.348 20 0 EDADMP CCOC(=O)CCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000361686708 445877897 /nfs/dbraw/zinc/87/78/97/445877897.db2.gz LCDAOLPWUDDCDD-MRXNPFEDSA-N 2 1 339.480 1.348 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)Nc3ccon3)CC2)CC1 ZINC000363889570 445881853 /nfs/dbraw/zinc/88/18/53/445881853.db2.gz PNXARTIANIXLCW-UHFFFAOYSA-N 2 1 335.452 1.992 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)NCC[N@@H+](C)C3CC3)C2)nc(C)[nH+]1 ZINC000363527508 445845533 /nfs/dbraw/zinc/84/55/33/445845533.db2.gz KYFBWHNTJGQQTK-HNNXBMFYSA-N 2 1 346.479 1.456 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)NCC[N@H+](C)C3CC3)C2)nc(C)[nH+]1 ZINC000363527508 445845537 /nfs/dbraw/zinc/84/55/37/445845537.db2.gz KYFBWHNTJGQQTK-HNNXBMFYSA-N 2 1 346.479 1.456 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000361622350 445852327 /nfs/dbraw/zinc/85/23/27/445852327.db2.gz KKIZVOXGXJAIJF-PMPSAXMXSA-N 2 1 325.522 1.899 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000363556645 445857144 /nfs/dbraw/zinc/85/71/44/445857144.db2.gz CFJUNOSNIUCRCD-SFHVURJKSA-N 2 1 330.476 1.894 20 0 EDADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000356577004 445868050 /nfs/dbraw/zinc/86/80/50/445868050.db2.gz JZXCGNSNKIDSIO-SFHVURJKSA-N 2 1 336.524 1.489 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364578310 445933820 /nfs/dbraw/zinc/93/38/20/445933820.db2.gz WRVFMFSNGZTERK-YJBOKZPZSA-N 2 1 339.443 1.965 20 0 EDADMP COCC[C@]1(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC[NH2+]C1 ZINC000361722757 445898453 /nfs/dbraw/zinc/89/84/53/445898453.db2.gz CHOOECNQGYMIAK-HXUWFJFHSA-N 2 1 345.487 1.655 20 0 EDADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365921981 445907805 /nfs/dbraw/zinc/90/78/05/445907805.db2.gz CUZGYARCSDGNTB-QZWWFDLISA-N 2 1 336.480 1.118 20 0 EDADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000365921981 445907813 /nfs/dbraw/zinc/90/78/13/445907813.db2.gz CUZGYARCSDGNTB-QZWWFDLISA-N 2 1 336.480 1.118 20 0 EDADMP Cc1cccn2c(=O)cc(C[N@H+](C)C[C@H]3CCn4cc[nH+]c4C3)nc12 ZINC000366000971 445953240 /nfs/dbraw/zinc/95/32/40/445953240.db2.gz OFFYACFOTKMVBS-HNNXBMFYSA-N 2 1 337.427 1.894 20 0 EDADMP Cc1cccn2c(=O)cc(C[N@@H+](C)C[C@H]3CCn4cc[nH+]c4C3)nc12 ZINC000366000971 445953246 /nfs/dbraw/zinc/95/32/46/445953246.db2.gz OFFYACFOTKMVBS-HNNXBMFYSA-N 2 1 337.427 1.894 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000361802744 445958459 /nfs/dbraw/zinc/95/84/59/445958459.db2.gz BINGOCWLGLVFRJ-UHFFFAOYSA-N 2 1 336.524 1.491 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C[C@@H]1C ZINC000373011382 445974717 /nfs/dbraw/zinc/97/47/17/445974717.db2.gz FTSZNEWRNAQIFM-BQFCYCMXSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C[C@@H]1C ZINC000373011382 445974724 /nfs/dbraw/zinc/97/47/24/445974724.db2.gz FTSZNEWRNAQIFM-BQFCYCMXSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@@H]1C ZINC000373011382 445974729 /nfs/dbraw/zinc/97/47/29/445974729.db2.gz FTSZNEWRNAQIFM-BQFCYCMXSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@@H]1C ZINC000373011382 445974732 /nfs/dbraw/zinc/97/47/32/445974732.db2.gz FTSZNEWRNAQIFM-BQFCYCMXSA-N 2 1 337.508 1.697 20 0 EDADMP CCCCOC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000366108668 446017602 /nfs/dbraw/zinc/01/76/02/446017602.db2.gz MSYOKRZJAQLOBA-QZTJIDSGSA-N 2 1 327.513 1.264 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)[C@H]2C1 ZINC000373120525 446043567 /nfs/dbraw/zinc/04/35/67/446043567.db2.gz GGHCVWBJVBQFOA-IRXDYDNUSA-N 2 1 335.492 1.574 20 0 EDADMP CN(C)c1ccc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000369277954 446045545 /nfs/dbraw/zinc/04/55/45/446045545.db2.gz OOZXLNFEGQYIHF-HNNXBMFYSA-N 2 1 331.464 1.046 20 0 EDADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(=O)c(OC)co2)CC1 ZINC000351230060 446015208 /nfs/dbraw/zinc/01/52/08/446015208.db2.gz RWQXJRHYCIJONF-UHFFFAOYSA-N 2 1 338.448 1.971 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000583829899 326148663 /nfs/dbraw/zinc/14/86/63/326148663.db2.gz WCTIMZYGQAENMW-WMLDXEAASA-N 2 1 344.459 1.417 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000583829899 326148664 /nfs/dbraw/zinc/14/86/64/326148664.db2.gz WCTIMZYGQAENMW-WMLDXEAASA-N 2 1 344.459 1.417 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000583829899 326148665 /nfs/dbraw/zinc/14/86/65/326148665.db2.gz WCTIMZYGQAENMW-WMLDXEAASA-N 2 1 344.459 1.417 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000583829899 326148666 /nfs/dbraw/zinc/14/86/66/326148666.db2.gz WCTIMZYGQAENMW-WMLDXEAASA-N 2 1 344.459 1.417 20 0 EDADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000583875695 326158602 /nfs/dbraw/zinc/15/86/02/326158602.db2.gz QLRYUGWNGSESML-APWZRJJASA-N 2 1 332.488 1.978 20 0 EDADMP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351487294 446088006 /nfs/dbraw/zinc/08/80/06/446088006.db2.gz CEVMJROCGBDRIO-BHYGNILZSA-N 2 1 329.444 1.644 20 0 EDADMP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351487294 446088007 /nfs/dbraw/zinc/08/80/07/446088007.db2.gz CEVMJROCGBDRIO-BHYGNILZSA-N 2 1 329.444 1.644 20 0 EDADMP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000351480206 446081216 /nfs/dbraw/zinc/08/12/16/446081216.db2.gz UMDDZMSMPDBJBD-SOUVJXGZSA-N 2 1 330.432 1.621 20 0 EDADMP Cc1cccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000351480206 446081222 /nfs/dbraw/zinc/08/12/22/446081222.db2.gz UMDDZMSMPDBJBD-SOUVJXGZSA-N 2 1 330.432 1.621 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000359251051 446084897 /nfs/dbraw/zinc/08/48/97/446084897.db2.gz MAXLUXHRPUYNLA-LSDHHAIUSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000369654412 446139121 /nfs/dbraw/zinc/13/91/21/446139121.db2.gz LIVCSTXTOOFYHB-GDBMZVCRSA-N 2 1 348.495 2.000 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCN(c4ccccc4F)CC3)C[C@@H]12 ZINC000351497095 446102077 /nfs/dbraw/zinc/10/20/77/446102077.db2.gz SPWSISYAADJLCN-BFYDXBDKSA-N 2 1 346.450 1.143 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCN(c4ccccc4F)CC3)C[C@@H]12 ZINC000351497095 446102083 /nfs/dbraw/zinc/10/20/83/446102083.db2.gz SPWSISYAADJLCN-BFYDXBDKSA-N 2 1 346.450 1.143 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000369402804 446117271 /nfs/dbraw/zinc/11/72/71/446117271.db2.gz SLPXWHAEVHFPKM-LTIDMASMSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000369402804 446117278 /nfs/dbraw/zinc/11/72/78/446117278.db2.gz SLPXWHAEVHFPKM-LTIDMASMSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000369402804 446117284 /nfs/dbraw/zinc/11/72/84/446117284.db2.gz SLPXWHAEVHFPKM-LTIDMASMSA-N 2 1 338.496 1.269 20 0 EDADMP Cc1nc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000354379858 446162354 /nfs/dbraw/zinc/16/23/54/446162354.db2.gz GDHPVFGYZOJSLG-LJQANCHMSA-N 2 1 326.444 2.451 20 0 EDADMP Cc1nc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000354379858 446162363 /nfs/dbraw/zinc/16/23/63/446162363.db2.gz GDHPVFGYZOJSLG-LJQANCHMSA-N 2 1 326.444 2.451 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000359390770 446193473 /nfs/dbraw/zinc/19/34/73/446193473.db2.gz MXLILHHFTSVJJY-GOSISDBHSA-N 2 1 342.487 1.793 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000359390770 446193481 /nfs/dbraw/zinc/19/34/81/446193481.db2.gz MXLILHHFTSVJJY-GOSISDBHSA-N 2 1 342.487 1.793 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000369679774 446146272 /nfs/dbraw/zinc/14/62/72/446146272.db2.gz KRVIJXDVWMIPHT-KRWDZBQOSA-N 2 1 337.439 1.437 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000369679774 446146278 /nfs/dbraw/zinc/14/62/78/446146278.db2.gz KRVIJXDVWMIPHT-KRWDZBQOSA-N 2 1 337.439 1.437 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3C[C@@H](C)[C@H](CO)C3)c2)C[C@@H]1CO ZINC000362074933 446195305 /nfs/dbraw/zinc/19/53/05/446195305.db2.gz HCPJAQPYWMIGPI-OBMJPTGESA-N 2 1 332.488 1.807 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(C[N@@H+]3C[C@@H](C)[C@H](CO)C3)c2)C[C@@H]1CO ZINC000362074933 446195307 /nfs/dbraw/zinc/19/53/07/446195307.db2.gz HCPJAQPYWMIGPI-OBMJPTGESA-N 2 1 332.488 1.807 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(C[N@H+]3C[C@@H](C)[C@H](CO)C3)c2)C[C@@H]1CO ZINC000362074933 446195313 /nfs/dbraw/zinc/19/53/13/446195313.db2.gz HCPJAQPYWMIGPI-OBMJPTGESA-N 2 1 332.488 1.807 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)CC1 ZINC000370269038 446205687 /nfs/dbraw/zinc/20/56/87/446205687.db2.gz PZPVQTJDOCYYPP-SFHVURJKSA-N 2 1 330.476 1.651 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CCc2ccccc2)CC1 ZINC000370269038 446205692 /nfs/dbraw/zinc/20/56/92/446205692.db2.gz PZPVQTJDOCYYPP-SFHVURJKSA-N 2 1 330.476 1.651 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCC[C@@H]1CO ZINC000370300123 446221319 /nfs/dbraw/zinc/22/13/19/446221319.db2.gz NJEGWTSKKPQAFO-GVDBMIGSSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000370300123 446221325 /nfs/dbraw/zinc/22/13/25/446221325.db2.gz NJEGWTSKKPQAFO-GVDBMIGSSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000370300123 446221331 /nfs/dbraw/zinc/22/13/31/446221331.db2.gz NJEGWTSKKPQAFO-GVDBMIGSSA-N 2 1 340.512 1.347 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000362232240 446276450 /nfs/dbraw/zinc/27/64/50/446276450.db2.gz BHLRMQKOBKDPOV-HOTGVXAUSA-N 2 1 334.464 1.779 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000362232240 446276454 /nfs/dbraw/zinc/27/64/54/446276454.db2.gz BHLRMQKOBKDPOV-HOTGVXAUSA-N 2 1 334.464 1.779 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000365659124 446290589 /nfs/dbraw/zinc/29/05/89/446290589.db2.gz AKGKMZXZWHVBFH-SFHVURJKSA-N 2 1 344.519 1.541 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000365659124 446290592 /nfs/dbraw/zinc/29/05/92/446290592.db2.gz AKGKMZXZWHVBFH-SFHVURJKSA-N 2 1 344.519 1.541 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000365659124 446290596 /nfs/dbraw/zinc/29/05/96/446290596.db2.gz AKGKMZXZWHVBFH-SFHVURJKSA-N 2 1 344.519 1.541 20 0 EDADMP CN(CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)CC[NH+](C)C ZINC000365659124 446290598 /nfs/dbraw/zinc/29/05/98/446290598.db2.gz AKGKMZXZWHVBFH-SFHVURJKSA-N 2 1 344.519 1.541 20 0 EDADMP CN(CCCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)CC[NH+](C)C ZINC000365659124 446290601 /nfs/dbraw/zinc/29/06/01/446290601.db2.gz AKGKMZXZWHVBFH-SFHVURJKSA-N 2 1 344.519 1.541 20 0 EDADMP C[C@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1[NH+](C)C ZINC000362284378 446305743 /nfs/dbraw/zinc/30/57/43/446305743.db2.gz SJLMVAKPPYKEQU-PKOBYXMFSA-N 2 1 344.503 1.213 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417500450 446355988 /nfs/dbraw/zinc/35/59/88/446355988.db2.gz INWOQVZJTKRGPO-ZWKOTPCHSA-N 2 1 332.492 1.834 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417562482 446365549 /nfs/dbraw/zinc/36/55/49/446365549.db2.gz FZCYTWYPNUCLGC-KRWDZBQOSA-N 2 1 340.512 1.709 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000370675675 446382749 /nfs/dbraw/zinc/38/27/49/446382749.db2.gz DEGYIULTLOSJDM-AKHDSKFASA-N 2 1 339.524 1.312 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCSC3(CCCCC3)C2)CC1 ZINC000376239865 446395594 /nfs/dbraw/zinc/39/55/94/446395594.db2.gz MGGYXEVSVXTWGA-UHFFFAOYSA-N 2 1 325.522 1.902 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCSC3(CCCCC3)C2)CC1 ZINC000376239865 446395601 /nfs/dbraw/zinc/39/56/01/446395601.db2.gz MGGYXEVSVXTWGA-UHFFFAOYSA-N 2 1 325.522 1.902 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418083061 446434063 /nfs/dbraw/zinc/43/40/63/446434063.db2.gz YZCJCAYPZIUIMN-GOEBONIOSA-N 2 1 336.505 1.641 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418083061 446434066 /nfs/dbraw/zinc/43/40/66/446434066.db2.gz YZCJCAYPZIUIMN-GOEBONIOSA-N 2 1 336.505 1.641 20 0 EDADMP CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000420282445 446449924 /nfs/dbraw/zinc/44/99/24/446449924.db2.gz MYILLIBIIXSHPC-LORHWOILSA-N 2 1 347.507 2.513 20 0 EDADMP Cc1csc(=O)n1CC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000366916027 446409783 /nfs/dbraw/zinc/40/97/83/446409783.db2.gz JSXFVGWPYRNEEU-MRXNPFEDSA-N 2 1 338.521 1.178 20 0 EDADMP Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000366916027 446409789 /nfs/dbraw/zinc/40/97/89/446409789.db2.gz JSXFVGWPYRNEEU-MRXNPFEDSA-N 2 1 338.521 1.178 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417994768 446410106 /nfs/dbraw/zinc/41/01/06/446410106.db2.gz YZXGHHHCVOFNCB-TZMCWYRMSA-N 2 1 328.407 1.789 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418008206 446413989 /nfs/dbraw/zinc/41/39/89/446413989.db2.gz GWOGXPHYBQLTQK-YSHGAJCASA-N 2 1 342.487 1.900 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418009184 446414544 /nfs/dbraw/zinc/41/45/44/446414544.db2.gz HVSHWWFTDDHKKI-UBDQQSCGSA-N 2 1 330.476 1.934 20 0 EDADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000423211122 446454644 /nfs/dbraw/zinc/45/46/44/446454644.db2.gz YAPZNDWUSYAACF-SFHVURJKSA-N 2 1 330.520 1.577 20 0 EDADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCN2CC[NH2+]CC2)CC1 ZINC000423211122 446454650 /nfs/dbraw/zinc/45/46/50/446454650.db2.gz YAPZNDWUSYAACF-SFHVURJKSA-N 2 1 330.520 1.577 20 0 EDADMP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000420302665 446465524 /nfs/dbraw/zinc/46/55/24/446465524.db2.gz BUHHEAIFDSTYOR-AWEZNQCLSA-N 2 1 333.432 1.781 20 0 EDADMP C[N@@H+](CCN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000420311958 446475264 /nfs/dbraw/zinc/47/52/64/446475264.db2.gz HIMSPCBSIIGQST-LJQANCHMSA-N 3 1 330.520 1.736 20 0 EDADMP COC[C@@H]1C[NH+](CCC(C)CC[N@H+]2CCO[C@H](COC)C2)CCO1 ZINC000411302222 446479818 /nfs/dbraw/zinc/47/98/18/446479818.db2.gz ATIDDQIDHQXJKX-ROUUACIJSA-N 2 1 344.496 1.097 20 0 EDADMP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420324639 446491760 /nfs/dbraw/zinc/49/17/60/446491760.db2.gz AVUGIYGICDRKKC-IYBDPMFKSA-N 2 1 344.459 1.883 20 0 EDADMP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322843 446488840 /nfs/dbraw/zinc/48/88/40/446488840.db2.gz FPAJGXZEXJQMQV-NVXWUHKLSA-N 2 1 343.471 1.652 20 0 EDADMP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322843 446488846 /nfs/dbraw/zinc/48/88/46/446488846.db2.gz FPAJGXZEXJQMQV-NVXWUHKLSA-N 2 1 343.471 1.652 20 0 EDADMP CCN(C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000420333216 446502164 /nfs/dbraw/zinc/50/21/64/446502164.db2.gz SMMHQBFLBZUNOC-INIZCTEOSA-N 2 1 331.460 1.727 20 0 EDADMP CCN(C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000420333216 446502173 /nfs/dbraw/zinc/50/21/73/446502173.db2.gz SMMHQBFLBZUNOC-INIZCTEOSA-N 2 1 331.460 1.727 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 ZINC000423362448 446502192 /nfs/dbraw/zinc/50/21/92/446502192.db2.gz HVSHOKBJBDRJJL-GRDNDAEWSA-N 2 1 327.419 1.754 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420336765 446506257 /nfs/dbraw/zinc/50/62/57/446506257.db2.gz WGVZKWPIHWYKKH-DLBZAZTESA-N 3 1 333.476 1.425 20 0 EDADMP COc1ccc([C@@H](C[NH3+])CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420336765 446506262 /nfs/dbraw/zinc/50/62/62/446506262.db2.gz WGVZKWPIHWYKKH-DLBZAZTESA-N 2 1 333.476 1.425 20 0 EDADMP C[C@H](NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418342738 446508867 /nfs/dbraw/zinc/50/88/67/446508867.db2.gz NESPMRNSNJWLJG-UHOSZYNNSA-N 2 1 344.503 1.943 20 0 EDADMP C[C@H](NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418342738 446508875 /nfs/dbraw/zinc/50/88/75/446508875.db2.gz NESPMRNSNJWLJG-UHOSZYNNSA-N 2 1 344.503 1.943 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2)CC12CCOCC2 ZINC000420328374 446497399 /nfs/dbraw/zinc/49/73/99/446497399.db2.gz MIFJKGNEDMUIAP-CQSZACIVSA-N 2 1 335.423 1.842 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1OC ZINC000420382280 446559409 /nfs/dbraw/zinc/55/94/09/446559409.db2.gz POGJQPWGYXDLOU-ZBFHGGJFSA-N 2 1 349.475 1.579 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1OC ZINC000420382280 446559414 /nfs/dbraw/zinc/55/94/14/446559414.db2.gz POGJQPWGYXDLOU-ZBFHGGJFSA-N 2 1 349.475 1.579 20 0 EDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418487778 446562723 /nfs/dbraw/zinc/56/27/23/446562723.db2.gz JFAFJXHKRGSSIO-YKDOHLLJSA-N 2 1 338.496 1.038 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418368558 446517152 /nfs/dbraw/zinc/51/71/52/446517152.db2.gz MVNYEDJAWVOWGS-AEFFLSMTSA-N 2 1 330.476 1.902 20 0 EDADMP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420344047 446517360 /nfs/dbraw/zinc/51/73/60/446517360.db2.gz RUWVWVASAFOYBT-JKSUJKDBSA-N 2 1 344.459 1.905 20 0 EDADMP O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)N[C@H]1CCCC[NH2+]C1 ZINC000418370550 446518288 /nfs/dbraw/zinc/51/82/88/446518288.db2.gz PSAHKUIFJKWPCU-BZSNNMDCSA-N 2 1 346.475 1.063 20 0 EDADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346421 446518392 /nfs/dbraw/zinc/51/83/92/446518392.db2.gz CSYROPCDLXYYBE-IAGOWNOFSA-N 2 1 330.476 1.610 20 0 EDADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346421 446518399 /nfs/dbraw/zinc/51/83/99/446518399.db2.gz CSYROPCDLXYYBE-IAGOWNOFSA-N 2 1 330.476 1.610 20 0 EDADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000420346445 446518930 /nfs/dbraw/zinc/51/89/30/446518930.db2.gz CVIXWJTYOBKGRP-IRXDYDNUSA-N 2 1 330.476 1.610 20 0 EDADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000420346445 446518934 /nfs/dbraw/zinc/51/89/34/446518934.db2.gz CVIXWJTYOBKGRP-IRXDYDNUSA-N 2 1 330.476 1.610 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@H+]3CCCC4(CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000367199481 446522108 /nfs/dbraw/zinc/52/21/08/446522108.db2.gz KLYDDRQPPJYDHD-KRWDZBQOSA-N 2 1 345.491 1.723 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000418388124 446524161 /nfs/dbraw/zinc/52/41/61/446524161.db2.gz POLKZWWFTQVAKB-IRXDYDNUSA-N 2 1 333.480 1.528 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccccc1Br)C[C@H](O)C[NH3+] ZINC000420348763 446525991 /nfs/dbraw/zinc/52/59/91/446525991.db2.gz AVPGPOXLOBDCNK-SNVBAGLBSA-N 2 1 330.226 1.029 20 0 EDADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1C ZINC000420349954 446527899 /nfs/dbraw/zinc/52/78/99/446527899.db2.gz RARPXNFFZCWKKH-AEFFLSMTSA-N 2 1 330.476 1.610 20 0 EDADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1C ZINC000420349954 446527908 /nfs/dbraw/zinc/52/79/08/446527908.db2.gz RARPXNFFZCWKKH-AEFFLSMTSA-N 2 1 330.476 1.610 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000423427985 446532913 /nfs/dbraw/zinc/53/29/13/446532913.db2.gz RASRJCOTNBRCPC-SLEUVZQESA-N 2 1 339.461 1.138 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C[N@H+]1Cc1ccccc1 ZINC000423434988 446536522 /nfs/dbraw/zinc/53/65/22/446536522.db2.gz KZIUAIJSNHUNLW-ZBFHGGJFSA-N 2 1 342.447 1.020 20 0 EDADMP COC(=O)c1ccc(N2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)[C@@H](C)C2)cc1 ZINC000420357977 446538525 /nfs/dbraw/zinc/53/85/25/446538525.db2.gz IJXPECDPUCXDPA-HOTGVXAUSA-N 2 1 331.460 1.983 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000418420279 446538628 /nfs/dbraw/zinc/53/86/28/446538628.db2.gz YZOWMLPTYAVLNX-VXLLPVPCSA-N 2 1 337.512 1.020 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]CC1 ZINC000423474072 446550233 /nfs/dbraw/zinc/55/02/33/446550233.db2.gz JHTOLXAPAVZIRO-QWHCGFSZSA-N 3 1 333.423 1.142 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000420376729 446554373 /nfs/dbraw/zinc/55/43/73/446554373.db2.gz KEGXXHFOTQTMKM-GDBMZVCRSA-N 2 1 349.475 1.579 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000420376729 446554379 /nfs/dbraw/zinc/55/43/79/446554379.db2.gz KEGXXHFOTQTMKM-GDBMZVCRSA-N 2 1 349.475 1.579 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376632368 446618218 /nfs/dbraw/zinc/61/82/18/446618218.db2.gz MCJILUOEWDVIMQ-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC1(C)CN(C(=O)NC[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418512481 446575224 /nfs/dbraw/zinc/57/52/24/446575224.db2.gz FOVQVPANEUUAAQ-QGZVFWFLSA-N 2 1 330.476 1.902 20 0 EDADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NC1CC[NH+](C2CC2)CC1 ZINC000420406535 446580164 /nfs/dbraw/zinc/58/01/64/446580164.db2.gz UMXRSDJOKFKZNQ-MAUKXSAKSA-N 3 1 334.508 1.193 20 0 EDADMP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NC1CC[NH+](C2CC2)CC1 ZINC000420406535 446580172 /nfs/dbraw/zinc/58/01/72/446580172.db2.gz UMXRSDJOKFKZNQ-MAUKXSAKSA-N 3 1 334.508 1.193 20 0 EDADMP Cc1ccc(CC[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420405979 446580687 /nfs/dbraw/zinc/58/06/87/446580687.db2.gz QFRBQHOJRBAGMD-RBUKOAKNSA-N 2 1 342.487 1.758 20 0 EDADMP [NH3+]CC1(O)CC[NH+](CC(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000420407585 446581317 /nfs/dbraw/zinc/58/13/17/446581317.db2.gz UQNXASXDXCIVOB-UHFFFAOYSA-N 2 1 345.487 1.400 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418529362 446582113 /nfs/dbraw/zinc/58/21/13/446582113.db2.gz TXCRPLCWDHBGBX-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP C[N@H+]1CC[C@H](NC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000420412183 446586179 /nfs/dbraw/zinc/58/61/79/446586179.db2.gz SFAGLULTZJMERI-TUFLPTIASA-N 2 1 339.483 1.952 20 0 EDADMP CN1CC[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000420412183 446586188 /nfs/dbraw/zinc/58/61/88/446586188.db2.gz SFAGLULTZJMERI-TUFLPTIASA-N 2 1 339.483 1.952 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]2)CC[N@H+]1CCOC ZINC000418555163 446592799 /nfs/dbraw/zinc/59/27/99/446592799.db2.gz VZQPZJANWNGUSY-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C[C@H]1CC ZINC000418591892 446606190 /nfs/dbraw/zinc/60/61/90/446606190.db2.gz KUYGEKHVGRYJEH-ARFHVFGLSA-N 2 1 326.485 1.127 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418659386 446639262 /nfs/dbraw/zinc/63/92/62/446639262.db2.gz XHXJJRJPAUJDNC-WMZOPIPTSA-N 2 1 348.491 1.395 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000376678100 446646619 /nfs/dbraw/zinc/64/66/19/446646619.db2.gz GWTAMDPAFFPBJD-KSZLIROESA-N 2 1 345.491 1.858 20 0 EDADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000376684392 446649327 /nfs/dbraw/zinc/64/93/27/446649327.db2.gz BANRQEIONBKYMI-HIFRSBDPSA-N 2 1 334.468 1.254 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418633314 446625314 /nfs/dbraw/zinc/62/53/14/446625314.db2.gz DDEGLKIMROWEBS-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CNC(=O)NC(=O)CN1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371096685 446626053 /nfs/dbraw/zinc/62/60/53/446626053.db2.gz BBDXEOGVTVZYOG-MRXNPFEDSA-N 2 1 332.448 1.429 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423755642 446685916 /nfs/dbraw/zinc/68/59/16/446685916.db2.gz KCPXLWPTNPCLAZ-XVLXNVKGSA-N 2 1 348.535 1.536 20 0 EDADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C2)c1 ZINC000371205329 446689104 /nfs/dbraw/zinc/68/91/04/446689104.db2.gz QVKANAOXRDOZCU-INIZCTEOSA-N 2 1 337.489 1.949 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C2)c1 ZINC000371205329 446689117 /nfs/dbraw/zinc/68/91/17/446689117.db2.gz QVKANAOXRDOZCU-INIZCTEOSA-N 2 1 337.489 1.949 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]([NH3+])CC2CCCCC2)C[C@H](C)O1 ZINC000423762844 446690513 /nfs/dbraw/zinc/69/05/13/446690513.db2.gz ORMYAZOFRLTFEG-UXLLHSPISA-N 2 1 325.497 1.852 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]([NH3+])CC2CCCCC2)C[C@H](C)O1 ZINC000423762844 446690521 /nfs/dbraw/zinc/69/05/21/446690521.db2.gz ORMYAZOFRLTFEG-UXLLHSPISA-N 2 1 325.497 1.852 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423761238 446690587 /nfs/dbraw/zinc/69/05/87/446690587.db2.gz LSLQNTGXQMITPI-IYBDPMFKSA-N 2 1 333.476 1.630 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423761238 446690592 /nfs/dbraw/zinc/69/05/92/446690592.db2.gz LSLQNTGXQMITPI-IYBDPMFKSA-N 2 1 333.476 1.630 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)[N@@H+]1CCc2sccc2C1 ZINC000376749751 446696416 /nfs/dbraw/zinc/69/64/16/446696416.db2.gz IJEFMMMRHALGSK-CQSZACIVSA-N 2 1 348.516 1.984 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)[N@H+]1CCc2sccc2C1 ZINC000376749751 446696422 /nfs/dbraw/zinc/69/64/22/446696422.db2.gz IJEFMMMRHALGSK-CQSZACIVSA-N 2 1 348.516 1.984 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000423830437 446719718 /nfs/dbraw/zinc/71/97/18/446719718.db2.gz ASMMXPDKNXQVLI-GOEBONIOSA-N 2 1 341.459 1.737 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CC[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000423833574 446720805 /nfs/dbraw/zinc/72/08/05/446720805.db2.gz TUKBGAPTNLEGIU-FHLIZLRMSA-N 2 1 329.444 1.699 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C[C@@H]1C ZINC000368231083 446723846 /nfs/dbraw/zinc/72/38/46/446723846.db2.gz IKEDILMLOKKQOK-GRDNDAEWSA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C[C@@H]1C ZINC000368231083 446723855 /nfs/dbraw/zinc/72/38/55/446723855.db2.gz IKEDILMLOKKQOK-GRDNDAEWSA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H]1C ZINC000368231083 446723859 /nfs/dbraw/zinc/72/38/59/446723859.db2.gz IKEDILMLOKKQOK-GRDNDAEWSA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1C ZINC000368231083 446723865 /nfs/dbraw/zinc/72/38/65/446723865.db2.gz IKEDILMLOKKQOK-GRDNDAEWSA-N 2 1 329.460 1.112 20 0 EDADMP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000371271403 446730396 /nfs/dbraw/zinc/73/03/96/446730396.db2.gz QIVWNDVUZCQKFK-QYZOEREBSA-N 2 1 343.471 1.630 20 0 EDADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000368165722 446681096 /nfs/dbraw/zinc/68/10/96/446681096.db2.gz SKUXHHUWHCNXFN-PBHICJAKSA-N 2 1 331.476 1.672 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371290565 446748681 /nfs/dbraw/zinc/74/86/81/446748681.db2.gz DEHRCIXYKSZPOP-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP CC[C@@H]1C[C@H](CC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCO1 ZINC000376866966 446763075 /nfs/dbraw/zinc/76/30/75/446763075.db2.gz OZEKRDOPGYBCKZ-JFIYKMOQSA-N 2 1 337.508 1.866 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CCC[N@H+]1C ZINC000423930105 446782233 /nfs/dbraw/zinc/78/22/33/446782233.db2.gz JTCILMMORKNMAT-MGTHKWJCSA-N 2 1 347.507 1.827 20 0 EDADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000423935117 446787800 /nfs/dbraw/zinc/78/78/00/446787800.db2.gz YKTMFUABRVVUSC-SPUZQDLCSA-N 2 1 333.476 1.938 20 0 EDADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000423935117 446787808 /nfs/dbraw/zinc/78/78/08/446787808.db2.gz YKTMFUABRVVUSC-SPUZQDLCSA-N 2 1 333.476 1.938 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418838134 446743076 /nfs/dbraw/zinc/74/30/76/446743076.db2.gz BQPYGLLRLMAWPH-INIZCTEOSA-N 2 1 346.475 1.011 20 0 EDADMP Cc1cn2c(n1)[C@H](CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C)CCC2 ZINC000376945207 446813822 /nfs/dbraw/zinc/81/38/22/446813822.db2.gz MXGDRCMLXLMAJK-XHSDSOJGSA-N 2 1 349.479 1.165 20 0 EDADMP Cc1cn2c(n1)[C@H](CNC(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C)CCC2 ZINC000376945207 446813830 /nfs/dbraw/zinc/81/38/30/446813830.db2.gz MXGDRCMLXLMAJK-XHSDSOJGSA-N 2 1 349.479 1.165 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000424037484 446829489 /nfs/dbraw/zinc/82/94/89/446829489.db2.gz URCOQRKKSRCPJN-FGTMMUONSA-N 2 1 349.450 1.578 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000424037484 446829494 /nfs/dbraw/zinc/82/94/94/446829494.db2.gz URCOQRKKSRCPJN-FGTMMUONSA-N 2 1 349.450 1.578 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000454284454 446833836 /nfs/dbraw/zinc/83/38/36/446833836.db2.gz YKZMTFOXZWUZCR-QGZVFWFLSA-N 2 1 334.464 1.717 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000440199587 446837814 /nfs/dbraw/zinc/83/78/14/446837814.db2.gz IRHWCIQFLIIBDE-UHFFFAOYSA-N 2 1 341.544 1.386 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cc2F)CC1 ZINC000423983688 446806380 /nfs/dbraw/zinc/80/63/80/446806380.db2.gz TUYCEEFTBGNBLB-CZUORRHYSA-N 2 1 334.439 1.387 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1nc(C)n2c1CCCC2 ZINC000371446523 446861000 /nfs/dbraw/zinc/86/10/00/446861000.db2.gz DYVZTVAPINYNAY-HNNXBMFYSA-N 2 1 349.479 1.438 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000371446523 446861004 /nfs/dbraw/zinc/86/10/04/446861004.db2.gz DYVZTVAPINYNAY-HNNXBMFYSA-N 2 1 349.479 1.438 20 0 EDADMP CCC1(CC)[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C[C@@H]1OC ZINC000371513163 446906464 /nfs/dbraw/zinc/90/64/64/446906464.db2.gz CFNJDEKUAFGIPB-KURKYZTESA-N 2 1 339.524 1.576 20 0 EDADMP [NH3+]CC[C@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000442609681 446915379 /nfs/dbraw/zinc/91/53/79/446915379.db2.gz ZMIFKQIFODXAQS-LJQANCHMSA-N 2 1 344.503 1.392 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442611590 446915637 /nfs/dbraw/zinc/91/56/37/446915637.db2.gz TWPXWECPDLPPFG-UHFFFAOYSA-N 2 1 341.544 1.242 20 0 EDADMP C[C@H]1C[N@@H+](CCC(=O)NC2CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000371692411 446948567 /nfs/dbraw/zinc/94/85/67/446948567.db2.gz JAZRUJHXRWYKPF-INIZCTEOSA-N 2 1 336.524 1.536 20 0 EDADMP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442762407 446955673 /nfs/dbraw/zinc/95/56/73/446955673.db2.gz QQZVFAXLNZYIDY-NEPJUHHUSA-N 2 1 325.840 1.634 20 0 EDADMP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442762407 446955680 /nfs/dbraw/zinc/95/56/80/446955680.db2.gz QQZVFAXLNZYIDY-NEPJUHHUSA-N 2 1 325.840 1.634 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000442766277 446957147 /nfs/dbraw/zinc/95/71/47/446957147.db2.gz NXBIGOCJROVCLO-KBPBESRZSA-N 2 1 326.444 1.722 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000442766277 446957151 /nfs/dbraw/zinc/95/71/51/446957151.db2.gz NXBIGOCJROVCLO-KBPBESRZSA-N 2 1 326.444 1.722 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000442766530 446959037 /nfs/dbraw/zinc/95/90/37/446959037.db2.gz WRJFVVDPGBUWAB-GXTWGEPZSA-N 2 1 341.402 1.616 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000442766530 446959041 /nfs/dbraw/zinc/95/90/41/446959041.db2.gz WRJFVVDPGBUWAB-GXTWGEPZSA-N 2 1 341.402 1.616 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442767204 446959315 /nfs/dbraw/zinc/95/93/15/446959315.db2.gz YCYRFHHKZVUIOH-IKGGRYGDSA-N 2 1 330.476 1.393 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000442770393 446961617 /nfs/dbraw/zinc/96/16/17/446961617.db2.gz PQGFOIWOWXMKON-CABCVRRESA-N 2 1 334.439 1.143 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000442770393 446961621 /nfs/dbraw/zinc/96/16/21/446961621.db2.gz PQGFOIWOWXMKON-CABCVRRESA-N 2 1 334.439 1.143 20 0 EDADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000442797264 446972841 /nfs/dbraw/zinc/97/28/41/446972841.db2.gz WLJNTOLBEBLPDG-SJORKVTESA-N 2 1 333.476 1.810 20 0 EDADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000442797264 446972847 /nfs/dbraw/zinc/97/28/47/446972847.db2.gz WLJNTOLBEBLPDG-SJORKVTESA-N 2 1 333.476 1.810 20 0 EDADMP OCC[C@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421017462 446988741 /nfs/dbraw/zinc/98/87/41/446988741.db2.gz NGFPGIQRBUFRKZ-ROUUACIJSA-N 2 1 342.524 1.316 20 0 EDADMP COCCOc1ccc(CNC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443057583 447000080 /nfs/dbraw/zinc/00/00/80/447000080.db2.gz HDQHHLNFQSJTNU-QGZVFWFLSA-N 2 1 349.475 1.389 20 0 EDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000443058951 447000701 /nfs/dbraw/zinc/00/07/01/447000701.db2.gz OUEQMBMFGHUNQB-YJBOKZPZSA-N 2 1 349.450 1.786 20 0 EDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000443059385 447001872 /nfs/dbraw/zinc/00/18/72/447001872.db2.gz MOSJVIKBQYNXLW-AWEZNQCLSA-N 2 1 339.867 1.896 20 0 EDADMP C[C@H](C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000372102490 447002299 /nfs/dbraw/zinc/00/22/99/447002299.db2.gz OTUGGPMNWTZGRS-UAGQMJEPSA-N 2 1 333.501 1.972 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)c1cc(N2CC[C@@H]([C@H](C)O)C2)ncn1 ZINC000413210865 447070485 /nfs/dbraw/zinc/07/04/85/447070485.db2.gz WMWBDJHZWQTFKL-GOEBONIOSA-N 2 1 344.463 1.715 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000419327335 447093390 /nfs/dbraw/zinc/09/33/90/447093390.db2.gz ZLYCVEOTYRZKSD-XEZPLFJOSA-N 2 1 344.459 1.064 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CCCC3)C2)CC1 ZINC000375906671 447136344 /nfs/dbraw/zinc/13/63/44/447136344.db2.gz PNCWSEOXXXACEB-WMZOPIPTSA-N 2 1 336.524 1.534 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CCCC3)C2)CC1 ZINC000375906671 447136352 /nfs/dbraw/zinc/13/63/52/447136352.db2.gz PNCWSEOXXXACEB-WMZOPIPTSA-N 2 1 336.524 1.534 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)N3C[C@@H](C)O[C@H](C)C3)C2)c1 ZINC000377488004 447159684 /nfs/dbraw/zinc/15/96/84/447159684.db2.gz KMGMRNTUKPIIND-ZACQAIPSSA-N 2 1 346.475 1.760 20 0 EDADMP COc1c(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c(C)nn1C ZINC000377620370 447248036 /nfs/dbraw/zinc/24/80/36/447248036.db2.gz FIUKLQXJFLWOGR-INIZCTEOSA-N 2 1 335.496 1.197 20 0 EDADMP COc1c(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c(C)nn1C ZINC000377620370 447248040 /nfs/dbraw/zinc/24/80/40/447248040.db2.gz FIUKLQXJFLWOGR-INIZCTEOSA-N 2 1 335.496 1.197 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000419511226 447233638 /nfs/dbraw/zinc/23/36/38/447233638.db2.gz HWBVUKDLGVVKFG-OAGGEKHMSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419511226 447233645 /nfs/dbraw/zinc/23/36/45/447233645.db2.gz HWBVUKDLGVVKFG-OAGGEKHMSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419511226 447233650 /nfs/dbraw/zinc/23/36/50/447233650.db2.gz HWBVUKDLGVVKFG-OAGGEKHMSA-N 2 1 328.501 1.203 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1CCC(=O)OC(C)(C)C ZINC000369050141 447287523 /nfs/dbraw/zinc/28/75/23/447287523.db2.gz BYGVANQNYBLJDJ-CVEARBPZSA-N 2 1 341.496 1.055 20 0 EDADMP COC1([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CCCCC1 ZINC000421826673 447261553 /nfs/dbraw/zinc/26/15/53/447261553.db2.gz UHYHNTFOSNDNSV-HOTGVXAUSA-N 2 1 325.497 1.901 20 0 EDADMP C[C@H](CC[NH2+]C[C@H](O)CN1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000379631023 447454264 /nfs/dbraw/zinc/45/42/64/447454264.db2.gz LQFZLJZIJXRYQF-MJGOQNOKSA-N 2 1 335.492 1.180 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450353504 447465422 /nfs/dbraw/zinc/46/54/22/447465422.db2.gz FZPGLNQFUGVHPX-IEBWSBKVSA-N 2 1 347.503 1.637 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]1F ZINC000458888580 447495214 /nfs/dbraw/zinc/49/52/14/447495214.db2.gz QPTCIXLEVHKBBF-XHSDSOJGSA-N 2 1 328.476 1.935 20 0 EDADMP CC[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[N@H+]1C[C@@H](C)O ZINC000426772213 447500135 /nfs/dbraw/zinc/50/01/35/447500135.db2.gz CHGQMANNRPFTJG-SJORKVTESA-N 2 1 339.524 1.802 20 0 EDADMP COCCOC[C@@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000450494691 447507030 /nfs/dbraw/zinc/50/70/30/447507030.db2.gz OBTXQWWWXVBRFD-MJGOQNOKSA-N 2 1 342.524 1.987 20 0 EDADMP CC1(C)CC(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC(C)(C)[NH2+]1 ZINC000457400241 447574009 /nfs/dbraw/zinc/57/40/09/447574009.db2.gz ZHSNQZRAXFAEIB-HNNXBMFYSA-N 2 1 340.512 1.442 20 0 EDADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000427293640 447576129 /nfs/dbraw/zinc/57/61/29/447576129.db2.gz DFAZDYOUULPVTF-OAHLLOKOSA-N 2 1 344.459 1.402 20 0 EDADMP CC(C)[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000393083964 447529511 /nfs/dbraw/zinc/52/95/11/447529511.db2.gz IIIZBCHHSYRCIX-OALUTQOASA-N 2 1 346.519 1.855 20 0 EDADMP CC[C@@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000419990625 447532455 /nfs/dbraw/zinc/53/24/55/447532455.db2.gz GGRORDFQVBCPQD-HKUYNNGSSA-N 2 1 335.492 1.716 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000450636654 447545454 /nfs/dbraw/zinc/54/54/54/447545454.db2.gz DZQXZGOZBPMPGQ-GOSISDBHSA-N 2 1 339.524 1.973 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H](C)S(C)(=O)=O)CC1 ZINC000450638353 447545579 /nfs/dbraw/zinc/54/55/79/447545579.db2.gz IQRGFCINBWPSHQ-HNNXBMFYSA-N 2 1 334.526 1.490 20 0 EDADMP C[N@@H+](CCCCNC(=O)N[C@@H]1CCC[NH+](CCCO)C1)C1CC1 ZINC000459160779 447601176 /nfs/dbraw/zinc/60/11/76/447601176.db2.gz OZWJHZRRYAJADC-OAHLLOKOSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCCCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000459160779 447601180 /nfs/dbraw/zinc/60/11/80/447601180.db2.gz OZWJHZRRYAJADC-OAHLLOKOSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCCCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000459160779 447601184 /nfs/dbraw/zinc/60/11/84/447601184.db2.gz OZWJHZRRYAJADC-OAHLLOKOSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000457782317 447627026 /nfs/dbraw/zinc/62/70/26/447627026.db2.gz YSWSRBLHRMLAPP-GOSISDBHSA-N 2 1 348.491 1.394 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495908443 447634690 /nfs/dbraw/zinc/63/46/90/447634690.db2.gz BOOAEJSDLFMMQW-CRAIPNDOSA-N 2 1 336.480 1.134 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)[NH+](C)C ZINC000416854764 447696401 /nfs/dbraw/zinc/69/64/01/447696401.db2.gz VLPAVSFOGZLDCC-ZOBUZTSGSA-N 2 1 348.491 1.924 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CCC[NH2+][C@@H]1C)[NH+](C)C ZINC000416851854 447696439 /nfs/dbraw/zinc/69/64/39/447696439.db2.gz RRIUOGNJPRMPEA-KBMXLJTQSA-N 2 1 334.464 1.738 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416884603 447701698 /nfs/dbraw/zinc/70/16/98/447701698.db2.gz PIDVUMAGLJFLJF-CRAIPNDOSA-N 2 1 346.475 1.398 20 0 EDADMP CSC[C@H]1CCC[N@@H+]1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496091695 447709724 /nfs/dbraw/zinc/70/97/24/447709724.db2.gz JISPGHHNLZUSHB-GDBMZVCRSA-N 2 1 325.478 1.688 20 0 EDADMP CSC[C@H]1CCC[N@H+]1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496091695 447709728 /nfs/dbraw/zinc/70/97/28/447709728.db2.gz JISPGHHNLZUSHB-GDBMZVCRSA-N 2 1 325.478 1.688 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000422631549 447679470 /nfs/dbraw/zinc/67/94/70/447679470.db2.gz FQHIASKKAIVRJJ-UXLLHSPISA-N 2 1 333.476 1.959 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000422631549 447679473 /nfs/dbraw/zinc/67/94/73/447679473.db2.gz FQHIASKKAIVRJJ-UXLLHSPISA-N 2 1 333.476 1.959 20 0 EDADMP CCC[C@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416953191 447724834 /nfs/dbraw/zinc/72/48/34/447724834.db2.gz TXBODGNUWGHKAP-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000422718132 447727021 /nfs/dbraw/zinc/72/70/21/447727021.db2.gz WSIUAKCWYRZZRW-GOSISDBHSA-N 3 1 335.492 1.875 20 0 EDADMP COCC[N@H+](C)CCOc1cccc(CN[C@@H]2CCC[NH2+]CC2)c1 ZINC000422718132 447727024 /nfs/dbraw/zinc/72/70/24/447727024.db2.gz WSIUAKCWYRZZRW-GOSISDBHSA-N 2 1 335.492 1.875 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CN[C@@H]2CCC[NH2+]CC2)c1 ZINC000422718132 447727026 /nfs/dbraw/zinc/72/70/26/447727026.db2.gz WSIUAKCWYRZZRW-GOSISDBHSA-N 2 1 335.492 1.875 20 0 EDADMP C[N@H+](CCCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)C1CCCCC1 ZINC000417017780 447729764 /nfs/dbraw/zinc/72/97/64/447729764.db2.gz PGWDDWPFIZCBIZ-QGZVFWFLSA-N 2 1 328.476 1.984 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)C1CCCCC1 ZINC000417017780 447729767 /nfs/dbraw/zinc/72/97/67/447729767.db2.gz PGWDDWPFIZCBIZ-QGZVFWFLSA-N 2 1 328.476 1.984 20 0 EDADMP CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422726057 447729943 /nfs/dbraw/zinc/72/99/43/447729943.db2.gz ZDIOELVRHNMJIX-HNNXBMFYSA-N 2 1 339.505 1.995 20 0 EDADMP Cc1ccc(NCCCNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)[nH+]c1 ZINC000417066573 447733247 /nfs/dbraw/zinc/73/32/47/447733247.db2.gz QMXWFUOLXHWGET-OAHLLOKOSA-N 2 1 333.480 2.269 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN[C@@H]2C(=O)OCC)[C@H](C)C1 ZINC000422743098 447735575 /nfs/dbraw/zinc/73/55/75/447735575.db2.gz HVXVDYPEKYHMKV-TWMKSMIVSA-N 2 1 341.496 1.007 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN[C@@H]2C(=O)OCC)[C@H](C)C1 ZINC000422743098 447735579 /nfs/dbraw/zinc/73/55/79/447735579.db2.gz HVXVDYPEKYHMKV-TWMKSMIVSA-N 2 1 341.496 1.007 20 0 EDADMP C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1c[nH+]ccc1N ZINC000422823947 447760525 /nfs/dbraw/zinc/76/05/25/447760525.db2.gz FNRZPXFOJUKQIJ-OAHLLOKOSA-N 2 1 341.463 1.147 20 0 EDADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422950010 447778305 /nfs/dbraw/zinc/77/83/05/447778305.db2.gz WZLNDUSXLADHDP-CEXWTWQISA-N 2 1 345.487 1.782 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C(C)(C)C[NH3+])[C@H](c2ccccc2)C1 ZINC000431022069 447789946 /nfs/dbraw/zinc/78/99/46/447789946.db2.gz MBDYLJFVWDXSCD-KRWDZBQOSA-N 2 1 332.492 1.466 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C(C)(C)C[NH3+])[C@H](c2ccccc2)C1 ZINC000431022069 447789949 /nfs/dbraw/zinc/78/99/49/447789949.db2.gz MBDYLJFVWDXSCD-KRWDZBQOSA-N 2 1 332.492 1.466 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C(C)(C)C[NH3+])[C@H](c2ccccc2)C1 ZINC000431022069 447789951 /nfs/dbraw/zinc/78/99/51/447789951.db2.gz MBDYLJFVWDXSCD-KRWDZBQOSA-N 2 1 332.492 1.466 20 0 EDADMP C[C@H](CCNC(=O)N1CCN(C)C[C@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000569676593 447863668 /nfs/dbraw/zinc/86/36/68/447863668.db2.gz LQJWBACDTUPHLW-SJLPKXTDSA-N 3 1 347.507 1.181 20 0 EDADMP CC(C)[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000488189691 447843074 /nfs/dbraw/zinc/84/30/74/447843074.db2.gz COIPGPJOEJDNPO-MOPGFXCFSA-N 2 1 346.519 1.678 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000486987341 447827135 /nfs/dbraw/zinc/82/71/35/447827135.db2.gz MNZZUZXMOXONIH-KBMXLJTQSA-N 2 1 331.464 1.358 20 0 EDADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000569912712 447915428 /nfs/dbraw/zinc/91/54/28/447915428.db2.gz FIHLQWFWPWIUCL-DOTOQJQBSA-N 2 1 337.489 1.583 20 0 EDADMP CC(C)NC(=O)NCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569924310 447919054 /nfs/dbraw/zinc/91/90/54/447919054.db2.gz UQUMZASVVROKMC-IYBDPMFKSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCN(S(C)(=O)=O)C3)CC2)C1 ZINC000575928224 447930357 /nfs/dbraw/zinc/93/03/57/447930357.db2.gz GGYLTHUNBGXQHU-DJIMGWMZSA-N 2 1 343.537 1.653 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000570581627 448033605 /nfs/dbraw/zinc/03/36/05/448033605.db2.gz LHJSUGHQPIFCAI-BHIYHBOVSA-N 2 1 345.487 1.327 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000570581627 448033608 /nfs/dbraw/zinc/03/36/08/448033608.db2.gz LHJSUGHQPIFCAI-BHIYHBOVSA-N 2 1 345.487 1.327 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000570581627 448033611 /nfs/dbraw/zinc/03/36/11/448033611.db2.gz LHJSUGHQPIFCAI-BHIYHBOVSA-N 2 1 345.487 1.327 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1C ZINC000531439210 448083798 /nfs/dbraw/zinc/08/37/98/448083798.db2.gz OIKWNWFKIHRVHW-CYBMUJFWSA-N 2 1 334.468 1.302 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)n1C ZINC000531439210 448083800 /nfs/dbraw/zinc/08/38/00/448083800.db2.gz OIKWNWFKIHRVHW-CYBMUJFWSA-N 2 1 334.468 1.302 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000502755090 448105641 /nfs/dbraw/zinc/10/56/41/448105641.db2.gz DYAPZVYOQWLEMV-XIRDDKMYSA-N 2 1 338.496 1.364 20 0 EDADMP Cc1nc(N2C[C@H](C)[NH+](C)C[C@H]2C)cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000525958801 448066124 /nfs/dbraw/zinc/06/61/24/448066124.db2.gz JFTNIOIDAOCQEC-YHUYYLMFSA-N 2 1 346.523 1.843 20 0 EDADMP Cc1nc(N2C[C@H](C)[N@H+](C)C[C@H]2C)cc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000525958801 448066129 /nfs/dbraw/zinc/06/61/29/448066129.db2.gz JFTNIOIDAOCQEC-YHUYYLMFSA-N 2 1 346.523 1.843 20 0 EDADMP Cc1nc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000525958801 448066131 /nfs/dbraw/zinc/06/61/31/448066131.db2.gz JFTNIOIDAOCQEC-YHUYYLMFSA-N 2 1 346.523 1.843 20 0 EDADMP C[N@@H+](CCC(=O)NC[C@H]1CCC[NH+]1CCCO)C1CCCCC1 ZINC000556402050 448115214 /nfs/dbraw/zinc/11/52/14/448115214.db2.gz PAWIGKHMKRCULB-QGZVFWFLSA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@@H+]1CCCO)C1CCCCC1 ZINC000556402050 448115219 /nfs/dbraw/zinc/11/52/19/448115219.db2.gz PAWIGKHMKRCULB-QGZVFWFLSA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@H+]1CCCO)C1CCCCC1 ZINC000556402050 448115224 /nfs/dbraw/zinc/11/52/24/448115224.db2.gz PAWIGKHMKRCULB-QGZVFWFLSA-N 2 1 325.497 1.604 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnn(CC(F)F)c3)C2)CC1 ZINC000556810164 448161192 /nfs/dbraw/zinc/16/11/92/448161192.db2.gz OPFCQLTVKBDLJL-MRXNPFEDSA-N 2 1 341.450 1.749 20 0 EDADMP CC(C)[C@H](C(=O)N(C)CC1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000505725731 448123923 /nfs/dbraw/zinc/12/39/23/448123923.db2.gz HOASOKQEWHOGHQ-SOLBZPMBSA-N 2 1 339.524 1.920 20 0 EDADMP CC(C)[C@H](C(=O)N(C)CC1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000505725731 448123929 /nfs/dbraw/zinc/12/39/29/448123929.db2.gz HOASOKQEWHOGHQ-SOLBZPMBSA-N 2 1 339.524 1.920 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000576758405 448133236 /nfs/dbraw/zinc/13/32/36/448133236.db2.gz PBALQPVUKXVOJW-MJGOQNOKSA-N 2 1 344.503 1.846 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000557113488 448181277 /nfs/dbraw/zinc/18/12/77/448181277.db2.gz IASMRUJVLABLFG-RDJZCZTQSA-N 2 1 340.512 1.504 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000532077687 448195900 /nfs/dbraw/zinc/19/59/00/448195900.db2.gz VFVOHYMAKXWCNI-SZVBFZGTSA-N 2 1 342.487 1.893 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000532077687 448195906 /nfs/dbraw/zinc/19/59/06/448195906.db2.gz VFVOHYMAKXWCNI-SZVBFZGTSA-N 2 1 342.487 1.893 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)CCC[NH+]1C ZINC000571896439 448231102 /nfs/dbraw/zinc/23/11/02/448231102.db2.gz ZTSTZWJBXNJZJQ-MAUKXSAKSA-N 2 1 347.507 1.651 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@@H+]1C ZINC000571896439 448231105 /nfs/dbraw/zinc/23/11/05/448231105.db2.gz ZTSTZWJBXNJZJQ-MAUKXSAKSA-N 2 1 347.507 1.651 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@H+]1C ZINC000571896439 448231109 /nfs/dbraw/zinc/23/11/09/448231109.db2.gz ZTSTZWJBXNJZJQ-MAUKXSAKSA-N 2 1 347.507 1.651 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](N3CCOCC3)C2)CC1 ZINC000514870413 448217949 /nfs/dbraw/zinc/21/79/49/448217949.db2.gz JRHLZMOWYIYZBP-IBGZPJMESA-N 2 1 338.540 1.199 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532506429 448268042 /nfs/dbraw/zinc/26/80/42/448268042.db2.gz XTEVGPZESUJAJP-QGZVFWFLSA-N 2 1 333.480 1.272 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)O1 ZINC000527549516 448270113 /nfs/dbraw/zinc/27/01/13/448270113.db2.gz OIBPEGQRLQEWCL-BPQIPLTHSA-N 2 1 346.475 1.081 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)O1 ZINC000527549516 448270119 /nfs/dbraw/zinc/27/01/19/448270119.db2.gz OIBPEGQRLQEWCL-BPQIPLTHSA-N 2 1 346.475 1.081 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)O1 ZINC000527549516 448270124 /nfs/dbraw/zinc/27/01/24/448270124.db2.gz OIBPEGQRLQEWCL-BPQIPLTHSA-N 2 1 346.475 1.081 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)O1 ZINC000527549516 448270129 /nfs/dbraw/zinc/27/01/29/448270129.db2.gz OIBPEGQRLQEWCL-BPQIPLTHSA-N 2 1 346.475 1.081 20 0 EDADMP O=C(NCC1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000582535686 448265789 /nfs/dbraw/zinc/26/57/89/448265789.db2.gz YFOOXAWFMRKEBR-GOSISDBHSA-N 2 1 330.476 1.950 20 0 EDADMP CC1(C)CCC[NH+]1CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000572218695 448316533 /nfs/dbraw/zinc/31/65/33/448316533.db2.gz JXZXAUQCYPXUBG-FQEVSTJZSA-N 2 1 345.487 1.614 20 0 EDADMP CC1(C)CCC[NH+]1CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000572218695 448316537 /nfs/dbraw/zinc/31/65/37/448316537.db2.gz JXZXAUQCYPXUBG-FQEVSTJZSA-N 2 1 345.487 1.614 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000572116160 448290968 /nfs/dbraw/zinc/29/09/68/448290968.db2.gz MWMSDJMVGCTPBR-SJLPKXTDSA-N 2 1 331.460 1.346 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)c1ccccc1 ZINC000591459414 448371763 /nfs/dbraw/zinc/37/17/63/448371763.db2.gz GYNRRVNMWWYNRV-ZWKOTPCHSA-N 2 1 333.476 1.764 20 0 EDADMP COCC[NH+](C)CC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000591459414 448371768 /nfs/dbraw/zinc/37/17/68/448371768.db2.gz GYNRRVNMWWYNRV-ZWKOTPCHSA-N 2 1 333.476 1.764 20 0 EDADMP COCC[NH+](C)CC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000591459414 448371771 /nfs/dbraw/zinc/37/17/71/448371771.db2.gz GYNRRVNMWWYNRV-ZWKOTPCHSA-N 2 1 333.476 1.764 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]C1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000515809217 448351665 /nfs/dbraw/zinc/35/16/65/448351665.db2.gz PDOSFFKZQOAZNA-ROUUACIJSA-N 2 1 330.476 1.950 20 0 EDADMP C[C@H](CN1CCOCC1)[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000515851344 448358629 /nfs/dbraw/zinc/35/86/29/448358629.db2.gz DPEOKMOAALULSY-LJQANCHMSA-N 2 1 346.519 1.115 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000572379196 448364556 /nfs/dbraw/zinc/36/45/56/448364556.db2.gz XQZQSWNBPWKQDI-QLFBSQMISA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000572379196 448364559 /nfs/dbraw/zinc/36/45/59/448364559.db2.gz XQZQSWNBPWKQDI-QLFBSQMISA-N 2 1 326.485 1.255 20 0 EDADMP Cc1cc(=O)[nH]c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000515549944 448328908 /nfs/dbraw/zinc/32/89/08/448328908.db2.gz MWNMQLJXBZBSBV-UHFFFAOYSA-N 2 1 327.388 1.495 20 0 EDADMP C[N@@H+](CC[C@@H]1CCNC1=O)C1CCN(CCc2ccccn2)CC1 ZINC000582763583 448330429 /nfs/dbraw/zinc/33/04/29/448330429.db2.gz JQERFQBORXKGRY-INIZCTEOSA-N 2 1 330.476 1.547 20 0 EDADMP O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000572272465 448333719 /nfs/dbraw/zinc/33/37/19/448333719.db2.gz WDCJLVZIRWHPSF-ZZJWQFMZSA-N 2 1 343.471 1.968 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)C1 ZINC000577589726 448333901 /nfs/dbraw/zinc/33/39/01/448333901.db2.gz JXWCOJASMAPCJZ-WBVHZDCISA-N 2 1 341.459 1.480 20 0 EDADMP CC(=O)c1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n(C)c1 ZINC000516207948 448398114 /nfs/dbraw/zinc/39/81/14/448398114.db2.gz LCDHPCZTLZPKMN-UHFFFAOYSA-N 2 1 341.415 1.627 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccccc1 ZINC000566179752 448405794 /nfs/dbraw/zinc/40/57/94/448405794.db2.gz XGVQIJHGRLIPDR-NJAFHUGGSA-N 2 1 333.476 1.810 20 0 EDADMP C[N@H+]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C(C)(C)C1 ZINC000516323324 448413192 /nfs/dbraw/zinc/41/31/92/448413192.db2.gz ZMQICMIBFDAXLZ-UHFFFAOYSA-N 2 1 345.491 1.146 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)[C@H](C)C1 ZINC000566296299 448437394 /nfs/dbraw/zinc/43/73/94/448437394.db2.gz CLFRQPCDUMOABB-PVAVHDDUSA-N 2 1 333.480 1.610 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000578068193 448453457 /nfs/dbraw/zinc/45/34/57/448453457.db2.gz SGOGTSUQPGXWHT-JZXOWHBKSA-N 2 1 335.492 1.478 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)CC2(C[NH3+])CC2)CC1 ZINC000578189931 448480352 /nfs/dbraw/zinc/48/03/52/448480352.db2.gz JEESUTOVLZBFAD-UHFFFAOYSA-N 2 1 344.503 1.569 20 0 EDADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC000516922559 448496792 /nfs/dbraw/zinc/49/67/92/448496792.db2.gz IAUVCYKOLIKACU-GOSISDBHSA-N 2 1 336.476 1.905 20 0 EDADMP CC(C)[C@H]1CN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC[N@H+]1C ZINC000528709627 448640748 /nfs/dbraw/zinc/64/07/48/448640748.db2.gz DEYLSEPBDQAPFB-MRXNPFEDSA-N 2 1 332.448 1.973 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)C1=O ZINC000578953179 448674933 /nfs/dbraw/zinc/67/49/33/448674933.db2.gz BREAPNKCUPBMPV-HOCLYGCPSA-N 2 1 349.862 1.818 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@H](c3cccc(Cl)c3)C2)C1=O ZINC000578953179 448674937 /nfs/dbraw/zinc/67/49/37/448674937.db2.gz BREAPNKCUPBMPV-HOCLYGCPSA-N 2 1 349.862 1.818 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000578878593 448660640 /nfs/dbraw/zinc/66/06/40/448660640.db2.gz CMXZXKSMFYMGHT-MTQWCTHYSA-N 2 1 348.487 1.430 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000578878593 448660649 /nfs/dbraw/zinc/66/06/49/448660649.db2.gz CMXZXKSMFYMGHT-MTQWCTHYSA-N 2 1 348.487 1.430 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000578878593 448660654 /nfs/dbraw/zinc/66/06/54/448660654.db2.gz CMXZXKSMFYMGHT-MTQWCTHYSA-N 2 1 348.487 1.430 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000578878593 448660661 /nfs/dbraw/zinc/66/06/61/448660661.db2.gz CMXZXKSMFYMGHT-MTQWCTHYSA-N 2 1 348.487 1.430 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@]12C[C@H]1CC[NH2+]2 ZINC000573593974 448666627 /nfs/dbraw/zinc/66/66/27/448666627.db2.gz ADJSTRASFSJDSY-LMMKCTJWSA-N 2 1 329.444 1.146 20 0 EDADMP [NH3+]C[C@@H]1CCCN1C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000518499062 448685594 /nfs/dbraw/zinc/68/55/94/448685594.db2.gz GLNICFQZGFCDKB-DLBZAZTESA-N 2 1 348.516 1.737 20 0 EDADMP [NH3+]C[C@@H]1CCCN1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000518499062 448685597 /nfs/dbraw/zinc/68/55/97/448685597.db2.gz GLNICFQZGFCDKB-DLBZAZTESA-N 2 1 348.516 1.737 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)COc2ccc(F)cc2)CC1(C)C ZINC000573676977 448686553 /nfs/dbraw/zinc/68/65/53/448686553.db2.gz PRFPUGQPJIRULJ-INIZCTEOSA-N 2 1 339.455 1.181 20 0 EDADMP Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000573680899 448687673 /nfs/dbraw/zinc/68/76/73/448687673.db2.gz HMXGJHXXOHNHGP-BBWFWOEESA-N 2 1 339.443 1.924 20 0 EDADMP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000573681041 448687948 /nfs/dbraw/zinc/68/79/48/448687948.db2.gz OBQBLMYEIAAVFF-HNNXBMFYSA-N 2 1 346.479 1.121 20 0 EDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000573783620 448709630 /nfs/dbraw/zinc/70/96/30/448709630.db2.gz VWDPMYMNLRKDKT-GDBMZVCRSA-N 2 1 337.489 1.847 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000573786430 448711350 /nfs/dbraw/zinc/71/13/50/448711350.db2.gz IOHFIXSQHXFQLG-ZWKOTPCHSA-N 2 1 328.460 1.693 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000567571523 448715296 /nfs/dbraw/zinc/71/52/96/448715296.db2.gz LPYZUNMUMCIGJG-KBXCAEBGSA-N 2 1 328.460 1.657 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000579328659 448768029 /nfs/dbraw/zinc/76/80/29/448768029.db2.gz JILANHQJBVYRPP-UHFFFAOYSA-N 2 1 344.459 1.214 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000519119943 448743798 /nfs/dbraw/zinc/74/37/98/448743798.db2.gz ANIWRUAHBQDBPS-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000519119943 448743800 /nfs/dbraw/zinc/74/38/00/448743800.db2.gz ANIWRUAHBQDBPS-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@H]1CCC[NH2+]C1 ZINC000519634086 448806024 /nfs/dbraw/zinc/80/60/24/448806024.db2.gz FCEXPYGJQCBEAD-ZWKOTPCHSA-N 2 1 330.476 1.807 20 0 EDADMP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000529302775 448813116 /nfs/dbraw/zinc/81/31/16/448813116.db2.gz ZUKQDZLYYOTNAU-ZWKOTPCHSA-N 2 1 346.475 1.186 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000519584548 448791202 /nfs/dbraw/zinc/79/12/02/448791202.db2.gz MJAPKIKSOOKCDW-UYAOXDASSA-N 2 1 345.487 1.565 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000519584548 448791204 /nfs/dbraw/zinc/79/12/04/448791204.db2.gz MJAPKIKSOOKCDW-UYAOXDASSA-N 2 1 345.487 1.565 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000519584548 448791206 /nfs/dbraw/zinc/79/12/06/448791206.db2.gz MJAPKIKSOOKCDW-UYAOXDASSA-N 2 1 345.487 1.565 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]([NH3+])C3CCC3)cc2)CC1 ZINC000579468321 448801110 /nfs/dbraw/zinc/80/11/10/448801110.db2.gz CEDRYIUAAYNYOA-IBGZPJMESA-N 2 1 344.503 1.568 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000529320869 448821448 /nfs/dbraw/zinc/82/14/48/448821448.db2.gz GUNUBKBITSSSDQ-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)(C)c1cccc(OCCC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000579615686 448838871 /nfs/dbraw/zinc/83/88/71/448838871.db2.gz POSJMVUFBJAWAB-WMZOPIPTSA-N 2 1 345.487 1.997 20 0 EDADMP CC(C)(C)c1cccc(OCCC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000579615686 448838875 /nfs/dbraw/zinc/83/88/75/448838875.db2.gz POSJMVUFBJAWAB-WMZOPIPTSA-N 2 1 345.487 1.997 20 0 EDADMP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000579662486 448842458 /nfs/dbraw/zinc/84/24/58/448842458.db2.gz KCIAHKMDBLEBBC-QLFBSQMISA-N 2 1 338.448 1.516 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000519828284 448854561 /nfs/dbraw/zinc/85/45/61/448854561.db2.gz VDTCSJUETLLTOY-SFHVURJKSA-N 2 1 332.492 1.552 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000520234957 448876304 /nfs/dbraw/zinc/87/63/04/448876304.db2.gz LJAHSCMWAOGKML-INIZCTEOSA-N 3 1 339.443 1.862 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000520424680 448895686 /nfs/dbraw/zinc/89/56/86/448895686.db2.gz APWJYYJARSZSPZ-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520424680 448895691 /nfs/dbraw/zinc/89/56/91/448895691.db2.gz APWJYYJARSZSPZ-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520424680 448895698 /nfs/dbraw/zinc/89/56/98/448895698.db2.gz APWJYYJARSZSPZ-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592956135 449076331 /nfs/dbraw/zinc/07/63/31/449076331.db2.gz DTWALLJNNKCFQN-FZKCQIBNSA-N 2 1 347.507 1.815 20 0 EDADMP C[C@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[N@H+]1CCCC[C@H]1C ZINC000592956108 449076736 /nfs/dbraw/zinc/07/67/36/449076736.db2.gz DJQVHFYMTRYPPT-KFWWJZLASA-N 2 1 333.480 1.712 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)C[C@@H](C)O)CC2)CC1 ZINC000582310805 449064285 /nfs/dbraw/zinc/06/42/85/449064285.db2.gz UBSIYTZSZWMIIU-HUUCEWRRSA-N 2 1 325.497 1.458 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000599967176 449131235 /nfs/dbraw/zinc/13/12/35/449131235.db2.gz UYAYULCUYUYJLJ-UHFFFAOYSA-N 2 1 332.448 1.233 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000575409211 449094724 /nfs/dbraw/zinc/09/47/24/449094724.db2.gz DWTLMPKGSYHZDI-ZHALLVOQSA-N 2 1 344.503 1.701 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000601828435 449171745 /nfs/dbraw/zinc/17/17/45/449171745.db2.gz JTHZNMLIGFODMZ-OAHLLOKOSA-N 2 1 325.522 1.806 20 0 EDADMP C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](Cc3cccnc3)C1)C2 ZINC000614039559 449427784 /nfs/dbraw/zinc/42/77/84/449427784.db2.gz XCSJKKYTIMILSS-KRWDZBQOSA-N 2 1 328.460 1.458 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCC23CCC[NH+]2CCC3)CC1 ZINC000614226669 449514877 /nfs/dbraw/zinc/51/48/77/449514877.db2.gz IUSAVZXSINNKIQ-UHFFFAOYSA-N 2 1 345.491 1.377 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000607235993 449590010 /nfs/dbraw/zinc/59/00/10/449590010.db2.gz NUMBVSKLEVXCNI-SJORKVTESA-N 3 1 341.544 1.242 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C1CCOCC1 ZINC000602481622 449625759 /nfs/dbraw/zinc/62/57/59/449625759.db2.gz HCYQPGHFYKDFBQ-MOPGFXCFSA-N 2 1 339.524 1.528 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602581025 449685327 /nfs/dbraw/zinc/68/53/27/449685327.db2.gz GRAFGOOHEDKUGA-OIISXLGYSA-N 2 1 335.517 1.951 20 0 EDADMP CCN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000617555768 449685993 /nfs/dbraw/zinc/68/59/93/449685993.db2.gz BICWDOMFVCXTRP-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CCN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000617555768 449685998 /nfs/dbraw/zinc/68/59/98/449685998.db2.gz BICWDOMFVCXTRP-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP Cc1cccc2c1O[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C2 ZINC000617503573 449647565 /nfs/dbraw/zinc/64/75/65/449647565.db2.gz PAAWKQMKJCNHQL-RDJZCZTQSA-N 2 1 333.476 1.687 20 0 EDADMP Cc1cccc2c1O[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C2 ZINC000617503573 449647569 /nfs/dbraw/zinc/64/75/69/449647569.db2.gz PAAWKQMKJCNHQL-RDJZCZTQSA-N 2 1 333.476 1.687 20 0 EDADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C2([NH+](C)C)CC2)c1 ZINC000614886222 449860538 /nfs/dbraw/zinc/86/05/38/449860538.db2.gz OKYZPUOJRHBSKE-UHFFFAOYSA-N 2 1 332.448 2.000 20 0 EDADMP COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000602964210 449965406 /nfs/dbraw/zinc/96/54/06/449965406.db2.gz NGRQMLCRWYJAIA-QAPCUYQASA-N 2 1 344.496 1.368 20 0 EDADMP COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000602964210 449965412 /nfs/dbraw/zinc/96/54/12/449965412.db2.gz NGRQMLCRWYJAIA-QAPCUYQASA-N 2 1 344.496 1.368 20 0 EDADMP COC[C@]1(C(=O)OC(C)(C)C)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000602964210 449965414 /nfs/dbraw/zinc/96/54/14/449965414.db2.gz NGRQMLCRWYJAIA-QAPCUYQASA-N 2 1 344.496 1.368 20 0 EDADMP COC[C@]1(C(=O)OC(C)(C)C)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000602964210 449965418 /nfs/dbraw/zinc/96/54/18/449965418.db2.gz NGRQMLCRWYJAIA-QAPCUYQASA-N 2 1 344.496 1.368 20 0 EDADMP Cc1ccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)c(N2CCCC2)[nH+]1 ZINC000612979333 449968621 /nfs/dbraw/zinc/96/86/21/449968621.db2.gz DZHZJASHOPCMNE-MRXNPFEDSA-N 2 1 343.475 1.932 20 0 EDADMP CO[C@@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCC1 ZINC000613004974 449979636 /nfs/dbraw/zinc/97/96/36/449979636.db2.gz JHFJGGIGOYNABC-UJJTZGENSA-N 2 1 335.492 1.571 20 0 EDADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000615309053 450057068 /nfs/dbraw/zinc/05/70/68/450057068.db2.gz PJILHKKDAMHOCQ-AYBZRNKSSA-N 2 1 331.460 1.174 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000615316911 450060323 /nfs/dbraw/zinc/06/03/23/450060323.db2.gz ZZCPKMJBOFGTKY-DGCLKSJQSA-N 2 1 330.436 1.199 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CC(C(=O)OC)C[C@@H]2C)CC1 ZINC000599689248 450154874 /nfs/dbraw/zinc/15/48/74/450154874.db2.gz HZTFPRBLVHIESK-KBPBESRZSA-N 2 1 339.480 1.249 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H](C)[NH+](C)C ZINC000610550926 450259772 /nfs/dbraw/zinc/25/97/72/450259772.db2.gz AZMYFEJDRIIJEG-GJZGRUSLSA-N 2 1 327.469 1.203 20 0 EDADMP COc1cncc(CN(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1 ZINC000625352792 450308206 /nfs/dbraw/zinc/30/82/06/450308206.db2.gz REMGGBKHBCWKHT-KBXCAEBGSA-N 2 1 344.463 1.734 20 0 EDADMP COc1cncc(C[N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1 ZINC000625352792 450308210 /nfs/dbraw/zinc/30/82/10/450308210.db2.gz REMGGBKHBCWKHT-KBXCAEBGSA-N 2 1 344.463 1.734 20 0 EDADMP COc1cncc(C[N@@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1 ZINC000625352792 450308214 /nfs/dbraw/zinc/30/82/14/450308214.db2.gz REMGGBKHBCWKHT-KBXCAEBGSA-N 2 1 344.463 1.734 20 0 EDADMP CC[C@@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[NH+](CC)CC ZINC000619970475 450387742 /nfs/dbraw/zinc/38/77/42/450387742.db2.gz MPCBLUQCTXMVIS-GVDBMIGSSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[NH+](C)CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC000616782638 450483684 /nfs/dbraw/zinc/48/36/84/450483684.db2.gz MTANZERPULUVLF-HOTGVXAUSA-N 2 1 340.512 1.214 20 0 EDADMP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000623344517 450502167 /nfs/dbraw/zinc/50/21/67/450502167.db2.gz PZWNXMKOPUHSPR-RBUKOAKNSA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000623344517 450502169 /nfs/dbraw/zinc/50/21/69/450502169.db2.gz PZWNXMKOPUHSPR-RBUKOAKNSA-N 2 1 327.472 1.919 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1COCCN1C)[N@H+]1CCc2ccccc2C1 ZINC000623393741 450512830 /nfs/dbraw/zinc/51/28/30/450512830.db2.gz NRSAECWESBFQHG-QAPCUYQASA-N 2 1 346.475 1.063 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1COCCN1C)N1CCc2ccccc2C1 ZINC000623393741 450512834 /nfs/dbraw/zinc/51/28/34/450512834.db2.gz NRSAECWESBFQHG-QAPCUYQASA-N 2 1 346.475 1.063 20 0 EDADMP Cn1ccnc1CN1CCC[C@@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1=O ZINC000623488702 450530384 /nfs/dbraw/zinc/53/03/84/450530384.db2.gz AIRQFELOVGFXDG-LSDHHAIUSA-N 3 1 333.480 1.374 20 0 EDADMP Cn1ccnc1CN1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623488702 450530387 /nfs/dbraw/zinc/53/03/87/450530387.db2.gz AIRQFELOVGFXDG-LSDHHAIUSA-N 2 1 333.480 1.374 20 0 EDADMP Cn1ccnc1CN1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1=O ZINC000623488702 450530390 /nfs/dbraw/zinc/53/03/90/450530390.db2.gz AIRQFELOVGFXDG-LSDHHAIUSA-N 2 1 333.480 1.374 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C2 ZINC000620978074 450568600 /nfs/dbraw/zinc/56/86/00/450568600.db2.gz CQJYOOBATNGAAQ-DOTOQJQBSA-N 2 1 334.464 1.323 20 0 EDADMP Nc1nc(N)[nH+]c(NCc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000623966839 450654458 /nfs/dbraw/zinc/65/44/58/450654458.db2.gz CYYCCRFSCGFTDD-UHFFFAOYSA-N 2 1 327.436 1.107 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635126106 450671229 /nfs/dbraw/zinc/67/12/29/450671229.db2.gz UQXFKRLLFVPUBH-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000624023310 450674083 /nfs/dbraw/zinc/67/40/83/450674083.db2.gz VPLKPDGRBHTJGW-UHFFFAOYSA-N 2 1 329.404 1.122 20 0 EDADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCc3nc[nH]c3C2)CC1 ZINC000627369619 450681818 /nfs/dbraw/zinc/68/18/18/450681818.db2.gz YPGSNILIXJGQCF-UHFFFAOYSA-N 2 1 325.416 1.914 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)CC[C@@H]2CO)CC1 ZINC000621379506 450706653 /nfs/dbraw/zinc/70/66/53/450706653.db2.gz WZIVFTSTCGSAOO-MRXNPFEDSA-N 2 1 325.497 1.458 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+])c1ccc(Cl)cc1 ZINC000629578286 450745444 /nfs/dbraw/zinc/74/54/44/450745444.db2.gz AOZUDSBVIQHYIZ-OLZOCXBDSA-N 2 1 327.856 1.813 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000635217736 450760950 /nfs/dbraw/zinc/76/09/50/450760950.db2.gz SWVUCKHJZFGOPZ-WMZOPIPTSA-N 2 1 331.460 1.518 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000631787154 450776398 /nfs/dbraw/zinc/77/63/98/450776398.db2.gz BFQIGPZHYKFHGI-GASCZTMLSA-N 2 1 345.553 1.757 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000631787154 450776401 /nfs/dbraw/zinc/77/64/01/450776401.db2.gz BFQIGPZHYKFHGI-GASCZTMLSA-N 2 1 345.553 1.757 20 0 EDADMP O=C(NCCN1CCN(c2ccccc2)CC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635252852 450784390 /nfs/dbraw/zinc/78/43/90/450784390.db2.gz CHFMMPMMNGSBGU-IAGOWNOFSA-N 2 1 339.443 1.452 20 0 EDADMP C[C@@H]1C[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000631839593 450809303 /nfs/dbraw/zinc/80/93/03/450809303.db2.gz IDNOXRCGMMKBAQ-CHWSQXEVSA-N 2 1 325.840 1.362 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000631839593 450809308 /nfs/dbraw/zinc/80/93/08/450809308.db2.gz IDNOXRCGMMKBAQ-CHWSQXEVSA-N 2 1 325.840 1.362 20 0 EDADMP CCOc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000631841377 450810434 /nfs/dbraw/zinc/81/04/34/450810434.db2.gz JYMDPLQNBFPLOP-IJEWVQPXSA-N 2 1 349.475 1.798 20 0 EDADMP CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000631841377 450810438 /nfs/dbraw/zinc/81/04/38/450810438.db2.gz JYMDPLQNBFPLOP-IJEWVQPXSA-N 2 1 349.475 1.798 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842319 450812540 /nfs/dbraw/zinc/81/25/40/450812540.db2.gz YSGXANSAPXKNSV-MGPQQGTHSA-N 2 1 333.432 1.702 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842319 450812544 /nfs/dbraw/zinc/81/25/44/450812544.db2.gz YSGXANSAPXKNSV-MGPQQGTHSA-N 2 1 333.432 1.702 20 0 EDADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000635286081 450817002 /nfs/dbraw/zinc/81/70/02/450817002.db2.gz CEJLWIHHNKLLAY-QGZVFWFLSA-N 2 1 344.503 1.655 20 0 EDADMP O[C@H](CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COCc1ccccc1 ZINC000624318336 450793218 /nfs/dbraw/zinc/79/32/18/450793218.db2.gz IRNMZUGNJCUCJB-VQTJNVASSA-N 2 1 348.487 1.797 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000631940173 450897671 /nfs/dbraw/zinc/89/76/71/450897671.db2.gz QRYBVRTZBCCPRO-GJZGRUSLSA-N 2 1 329.510 1.122 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635415061 450921487 /nfs/dbraw/zinc/92/14/87/450921487.db2.gz GVOCLSFMSXZXEZ-IXDOHACOSA-N 2 1 339.524 1.827 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3([NH2+]C)CCC3)CC2)CC1 ZINC000630004074 450945810 /nfs/dbraw/zinc/94/58/10/450945810.db2.gz LWVMPCGNJMRKKD-UHFFFAOYSA-N 3 1 336.524 1.441 20 0 EDADMP C[N@H+](CC(=O)NC[C@H]1C[NH+](C)CCN1Cc1ccccc1)C1CCC1 ZINC000630016238 450955916 /nfs/dbraw/zinc/95/59/16/450955916.db2.gz GMKCXFCYFBCVNK-IBGZPJMESA-N 2 1 344.503 1.403 20 0 EDADMP C[N@@H+](CC(=O)NC[C@H]1C[NH+](C)CCN1Cc1ccccc1)C1CCC1 ZINC000630016238 450955919 /nfs/dbraw/zinc/95/59/19/450955919.db2.gz GMKCXFCYFBCVNK-IBGZPJMESA-N 2 1 344.503 1.403 20 0 EDADMP C[NH+](CC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)C1CCC1 ZINC000630016238 450955922 /nfs/dbraw/zinc/95/59/22/450955922.db2.gz GMKCXFCYFBCVNK-IBGZPJMESA-N 2 1 344.503 1.403 20 0 EDADMP C[NH+](CC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)C1CCC1 ZINC000630016238 450955925 /nfs/dbraw/zinc/95/59/25/450955925.db2.gz GMKCXFCYFBCVNK-IBGZPJMESA-N 2 1 344.503 1.403 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1ccnc1C(C)C ZINC000635464041 450963093 /nfs/dbraw/zinc/96/30/93/450963093.db2.gz FSHYMGJBDNSUPA-QGZVFWFLSA-N 2 1 349.523 1.881 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc[nH+]c1C(C)C ZINC000635464041 450963100 /nfs/dbraw/zinc/96/31/00/450963100.db2.gz FSHYMGJBDNSUPA-QGZVFWFLSA-N 3 1 349.523 1.881 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc[nH+]c1C(C)C ZINC000635464041 450963105 /nfs/dbraw/zinc/96/31/05/450963105.db2.gz FSHYMGJBDNSUPA-QGZVFWFLSA-N 3 1 349.523 1.881 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626937786 451019455 /nfs/dbraw/zinc/01/94/55/451019455.db2.gz YUWNCCWGNQAOMR-HNNXBMFYSA-N 2 1 326.485 1.306 20 0 EDADMP CCN(CC[NH3+])C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000626975856 451045455 /nfs/dbraw/zinc/04/54/55/451045455.db2.gz HOMDMBCWTUURNM-UHFFFAOYSA-N 2 1 337.468 1.494 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCOCCC[NH3+])C1 ZINC000626947250 451026384 /nfs/dbraw/zinc/02/63/84/451026384.db2.gz QADQXZXCXNPLSK-GASCZTMLSA-N 2 1 328.501 1.408 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000626948201 451027232 /nfs/dbraw/zinc/02/72/32/451027232.db2.gz OXNJNFUFZPIZTD-ZNMIVQPWSA-N 2 1 326.485 1.160 20 0 EDADMP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000626954926 451032490 /nfs/dbraw/zinc/03/24/90/451032490.db2.gz NOTHUELBFPXAQX-SFHVURJKSA-N 2 1 348.491 1.515 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626960745 451035494 /nfs/dbraw/zinc/03/54/94/451035494.db2.gz WYTHELKUTLBZSD-NWDGAFQWSA-N 2 1 333.358 1.360 20 0 EDADMP Cc1cn2c(n1)C[C@@H](C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000628015969 451088723 /nfs/dbraw/zinc/08/87/23/451088723.db2.gz NYQQUVOOOGQZGR-WCVJEAGWSA-N 2 1 334.464 1.368 20 0 EDADMP CC1(C)CN(C(=O)NCC2([NH3+])CCCCCC2)CC[N@H+]1CCO ZINC000634019245 451156967 /nfs/dbraw/zinc/15/69/67/451156967.db2.gz QWVOWZOLGZHFEC-UHFFFAOYSA-N 2 1 326.485 1.136 20 0 EDADMP CCN1CC[NH+](CCC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000634092390 451189902 /nfs/dbraw/zinc/18/99/02/451189902.db2.gz VEJBDBGZDLRXKG-UHFFFAOYSA-N 2 1 348.495 1.116 20 0 EDADMP [NH3+]C[C@]1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCCOC1 ZINC000638118190 451286687 /nfs/dbraw/zinc/28/66/87/451286687.db2.gz QOROXMICMHJFIF-IEBWSBKVSA-N 2 1 331.460 1.523 20 0 EDADMP Cc1cc(C)c(CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)c(C)[nH+]1 ZINC000630583475 451262022 /nfs/dbraw/zinc/26/20/22/451262022.db2.gz QKLSLSPGNOONFZ-KSSFIOAISA-N 2 1 330.432 1.946 20 0 EDADMP Cc1c[nH+]cn1C1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635813896 451262557 /nfs/dbraw/zinc/26/25/57/451262557.db2.gz FHUVCEDHVXWMAB-UHFFFAOYSA-N 2 1 334.464 1.713 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000638103311 451270087 /nfs/dbraw/zinc/27/00/87/451270087.db2.gz ZTLWHBVPWJDXDO-KBPBESRZSA-N 2 1 345.365 1.542 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000638103311 451270095 /nfs/dbraw/zinc/27/00/95/451270095.db2.gz ZTLWHBVPWJDXDO-KBPBESRZSA-N 2 1 345.365 1.542 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000638113235 451280910 /nfs/dbraw/zinc/28/09/10/451280910.db2.gz AFHPBEMCWRRXQR-CJNGLKHVSA-N 2 1 325.478 1.496 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000638113235 451280913 /nfs/dbraw/zinc/28/09/13/451280913.db2.gz AFHPBEMCWRRXQR-CJNGLKHVSA-N 2 1 325.478 1.496 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000638113235 451280915 /nfs/dbraw/zinc/28/09/15/451280915.db2.gz AFHPBEMCWRRXQR-CJNGLKHVSA-N 2 1 325.478 1.496 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638121056 451290532 /nfs/dbraw/zinc/29/05/32/451290532.db2.gz DCTQIPFMZIDXIK-CQSZACIVSA-N 2 1 347.381 1.790 20 0 EDADMP COc1cccc(CN(CC[NH+](C)C)C(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000635847410 451294947 /nfs/dbraw/zinc/29/49/47/451294947.db2.gz XGSXHWGIRFCVBE-QGZVFWFLSA-N 2 1 333.476 1.927 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C3=CC[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000638133042 451306017 /nfs/dbraw/zinc/30/60/17/451306017.db2.gz YTJUOZAPNFFDNZ-CVEARBPZSA-N 2 1 345.443 1.442 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C3=CC[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000638133042 451306023 /nfs/dbraw/zinc/30/60/23/451306023.db2.gz YTJUOZAPNFFDNZ-CVEARBPZSA-N 2 1 345.443 1.442 20 0 EDADMP CC[NH2+][C@H](C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000638134125 451307536 /nfs/dbraw/zinc/30/75/36/451307536.db2.gz ZUTQFNCCTFFDGO-OAHLLOKOSA-N 2 1 346.475 1.330 20 0 EDADMP CC[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638135628 451308558 /nfs/dbraw/zinc/30/85/58/451308558.db2.gz UUUXRXNZYOJUJL-QYZOEREBSA-N 2 1 343.471 1.830 20 0 EDADMP CC[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638135628 451308565 /nfs/dbraw/zinc/30/85/65/451308565.db2.gz UUUXRXNZYOJUJL-QYZOEREBSA-N 2 1 343.471 1.830 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000638141808 451316157 /nfs/dbraw/zinc/31/61/57/451316157.db2.gz IGHHKNHQPDQAJO-OALUTQOASA-N 2 1 344.503 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000638141808 451316164 /nfs/dbraw/zinc/31/61/64/451316164.db2.gz IGHHKNHQPDQAJO-OALUTQOASA-N 2 1 344.503 1.436 20 0 EDADMP CN(C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638146194 451320068 /nfs/dbraw/zinc/32/00/68/451320068.db2.gz PXZCVMMZLMDABY-UJJTZGENSA-N 2 1 330.476 1.187 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638146194 451320074 /nfs/dbraw/zinc/32/00/74/451320074.db2.gz PXZCVMMZLMDABY-UJJTZGENSA-N 2 1 330.476 1.187 20 0 EDADMP C[NH+](C)CCN(C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000638273206 451392386 /nfs/dbraw/zinc/39/23/86/451392386.db2.gz ZAJRRDPSZIKTLH-IBGZPJMESA-N 2 1 346.519 1.779 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638287756 451405217 /nfs/dbraw/zinc/40/52/17/451405217.db2.gz XENWNJVWEJHSMC-XJKSGUPXSA-N 2 1 325.416 1.186 20 0 EDADMP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000638302643 451417455 /nfs/dbraw/zinc/41/74/55/451417455.db2.gz KAIPGNHPILXVRF-ZWKOTPCHSA-N 2 1 329.444 1.441 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000638309895 451423940 /nfs/dbraw/zinc/42/39/40/451423940.db2.gz QLNIOUQXGIGRDJ-RYQLBKOJSA-N 2 1 331.460 1.508 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638366047 451462880 /nfs/dbraw/zinc/46/28/80/451462880.db2.gz KKGGIDREFBZIMT-HNNXBMFYSA-N 2 1 339.505 1.936 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@H]1CCSC1 ZINC000628904678 451466822 /nfs/dbraw/zinc/46/68/22/451466822.db2.gz QUTYLCCDGQWAGQ-HNNXBMFYSA-N 2 1 341.521 1.137 20 0 EDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638380253 451475534 /nfs/dbraw/zinc/47/55/34/451475534.db2.gz ADCXTCHFNYMYQP-NSHDSACASA-N 2 1 338.253 1.923 20 0 EDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638380253 451475539 /nfs/dbraw/zinc/47/55/39/451475539.db2.gz ADCXTCHFNYMYQP-NSHDSACASA-N 2 1 338.253 1.923 20 0 EDADMP CCC(=O)N1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634707331 451484703 /nfs/dbraw/zinc/48/47/03/451484703.db2.gz DIINVZUQNUBXJQ-MJGOQNOKSA-N 2 1 331.460 1.224 20 0 EDADMP CCC(=O)N1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634707331 451484709 /nfs/dbraw/zinc/48/47/09/451484709.db2.gz DIINVZUQNUBXJQ-MJGOQNOKSA-N 2 1 331.460 1.224 20 0 EDADMP O[C@]1(C[NH2+][C@@H]2CCn3ccnc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634711953 451491665 /nfs/dbraw/zinc/49/16/65/451491665.db2.gz XCNXAHQPTCHOBI-MJGOQNOKSA-N 2 1 326.444 1.425 20 0 EDADMP O[C@]1(C[NH2+][C@@H]2CCn3ccnc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711953 451491668 /nfs/dbraw/zinc/49/16/68/451491668.db2.gz XCNXAHQPTCHOBI-MJGOQNOKSA-N 2 1 326.444 1.425 20 0 EDADMP O[C@@]1(C[NH2+]CC2(N3CCOCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634713109 451493083 /nfs/dbraw/zinc/49/30/83/451493083.db2.gz QMXBFSXYBXFRGH-HXUWFJFHSA-N 2 1 345.487 1.078 20 0 EDADMP O[C@@]1(C[NH2+]CC2(N3CCOCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713109 451493090 /nfs/dbraw/zinc/49/30/90/451493090.db2.gz QMXBFSXYBXFRGH-HXUWFJFHSA-N 2 1 345.487 1.078 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000638340827 451445010 /nfs/dbraw/zinc/44/50/10/451445010.db2.gz GHZGUMCEJHGLQG-ROUUACIJSA-N 2 1 345.491 1.108 20 0 EDADMP OCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000634721099 451500613 /nfs/dbraw/zinc/50/06/13/451500613.db2.gz UGKYLWJSUKYXEA-PMACEKPBSA-N 2 1 348.487 1.391 20 0 EDADMP OCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000634721099 451500618 /nfs/dbraw/zinc/50/06/18/451500618.db2.gz UGKYLWJSUKYXEA-PMACEKPBSA-N 2 1 348.487 1.391 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000638425116 451508421 /nfs/dbraw/zinc/50/84/21/451508421.db2.gz HSUBFDYYNAPKQB-KURKYZTESA-N 2 1 343.471 1.521 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000638505829 451550456 /nfs/dbraw/zinc/55/04/56/451550456.db2.gz OTQGSCBQQPWMHR-DLBZAZTESA-N 2 1 328.460 1.694 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000638511477 451552294 /nfs/dbraw/zinc/55/22/94/451552294.db2.gz AMAZPUZEMJFABE-RCCFBDPRSA-N 2 1 331.460 1.472 20 0 EDADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NCCOCCC[NH3+])cc2)C[C@H](C)O1 ZINC000638661674 451637933 /nfs/dbraw/zinc/63/79/33/451637933.db2.gz VZSMMLMDGWMYMA-HOTGVXAUSA-N 2 1 349.475 1.391 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)CC(C)(C)C ZINC000638793446 451693878 /nfs/dbraw/zinc/69/38/78/451693878.db2.gz YBMFXKQPNMIEDH-MRXNPFEDSA-N 2 1 325.497 1.581 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638857753 451713296 /nfs/dbraw/zinc/71/32/96/451713296.db2.gz YNOGWFACJBEVPW-YVWKXTFCSA-N 2 1 345.487 1.626 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000641042988 451740072 /nfs/dbraw/zinc/74/00/72/451740072.db2.gz KOGZICFLUHERHD-VQHPVUNQSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000637151128 451741669 /nfs/dbraw/zinc/74/16/69/451741669.db2.gz XPJDZCIHTUPMPA-CGTJXYLNSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC000637151128 451741672 /nfs/dbraw/zinc/74/16/72/451741672.db2.gz XPJDZCIHTUPMPA-CGTJXYLNSA-N 2 1 346.475 1.015 20 0 EDADMP O=C(N[C@@H]1CCC[NH2+]CC1)N1CC[NH+](CCc2cccs2)CC1 ZINC000641053646 451742120 /nfs/dbraw/zinc/74/21/20/451742120.db2.gz VPMCXZQBTXVRDZ-OAHLLOKOSA-N 2 1 336.505 1.760 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cccc4c3CCOC4)nn2)CC1 ZINC000641095252 451748327 /nfs/dbraw/zinc/74/83/27/451748327.db2.gz FDZRUQQTCYSAJA-UHFFFAOYSA-N 2 1 341.459 1.365 20 0 EDADMP CCO[C@@H]1C[C@](CO)([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1(C)C ZINC000639084799 451764890 /nfs/dbraw/zinc/76/48/90/451764890.db2.gz BJHQUPJAZFRPPS-CRAIPNDOSA-N 2 1 328.497 1.377 20 0 EDADMP CO[C@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000639171816 451784776 /nfs/dbraw/zinc/78/47/76/451784776.db2.gz DHPZQNPGBOOSSU-RBUKOAKNSA-N 2 1 339.524 1.528 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000637372626 451804029 /nfs/dbraw/zinc/80/40/29/451804029.db2.gz LRQREQYDKCHXGZ-MRXNPFEDSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000637372626 451804033 /nfs/dbraw/zinc/80/40/33/451804033.db2.gz LRQREQYDKCHXGZ-MRXNPFEDSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+](CCO)CCNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000637372626 451804037 /nfs/dbraw/zinc/80/40/37/451804037.db2.gz LRQREQYDKCHXGZ-MRXNPFEDSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000649071954 451808098 /nfs/dbraw/zinc/80/80/98/451808098.db2.gz VMRCZZSBMLNGKM-HNNXBMFYSA-N 2 1 338.496 1.219 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000644524089 451840455 /nfs/dbraw/zinc/84/04/55/451840455.db2.gz QFWZPFNIYNZVIE-GUDVDZBRSA-N 2 1 348.487 1.832 20 0 EDADMP C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000646857461 451893290 /nfs/dbraw/zinc/89/32/90/451893290.db2.gz CYAAUIOLZWBXLV-NVXWUHKLSA-N 2 1 349.523 1.808 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]CCC(=O)Nc2ccccc2F)CC1(C)C ZINC000644639600 451911208 /nfs/dbraw/zinc/91/12/08/451911208.db2.gz JWVYXETZEOEOTQ-UHFFFAOYSA-N 2 1 336.455 1.770 20 0 EDADMP COCCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000649278791 451949478 /nfs/dbraw/zinc/94/94/78/451949478.db2.gz BXIKTBGHKDKDGS-GOSISDBHSA-N 2 1 345.487 1.783 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CCN(c3ccccn3)C1)CC2 ZINC000651568893 451923476 /nfs/dbraw/zinc/92/34/76/451923476.db2.gz AWXZVOJXXBRINZ-CABCVRRESA-N 2 1 325.416 1.544 20 0 EDADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000646923737 451940924 /nfs/dbraw/zinc/94/09/24/451940924.db2.gz YXXLJSQZFGYLRX-AEFFLSMTSA-N 2 1 328.460 1.769 20 0 EDADMP CC1(C)C[NH2+]CCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649273560 451945011 /nfs/dbraw/zinc/94/50/11/451945011.db2.gz SOTWDVPIXOROQJ-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP CC1(C)C[NH2+]CCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649273560 451945017 /nfs/dbraw/zinc/94/50/17/451945017.db2.gz SOTWDVPIXOROQJ-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642750480 451948408 /nfs/dbraw/zinc/94/84/08/451948408.db2.gz BQOXPJVAXITQAZ-HZPDHXFCSA-N 2 1 338.496 1.016 20 0 EDADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)ccc21 ZINC000651610500 451958264 /nfs/dbraw/zinc/95/82/64/451958264.db2.gz GIYCERBKJAOTBL-RDJZCZTQSA-N 2 1 344.459 1.384 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NCC(=O)Nc2ccccn2)[C@H](C)C1 ZINC000639588598 451959273 /nfs/dbraw/zinc/95/92/73/451959273.db2.gz DQKNDMGOOCLQJN-CVEARBPZSA-N 2 1 334.464 1.747 20 0 EDADMP O[C@@]1(CN2CCO[C@]3(CCOC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639589478 451959459 /nfs/dbraw/zinc/95/94/59/451959459.db2.gz PRBHLPFBLGZPFR-RBUKOAKNSA-N 2 1 332.444 1.115 20 0 EDADMP CC1(C)CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000639602061 451968270 /nfs/dbraw/zinc/96/82/70/451968270.db2.gz NXUPSCVRUAZSNX-HXUWFJFHSA-N 2 1 347.503 1.012 20 0 EDADMP CC1(C)CN(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCO ZINC000639602061 451968277 /nfs/dbraw/zinc/96/82/77/451968277.db2.gz NXUPSCVRUAZSNX-HXUWFJFHSA-N 2 1 347.503 1.012 20 0 EDADMP CC1(C)CN(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCO ZINC000639602061 451968282 /nfs/dbraw/zinc/96/82/82/451968282.db2.gz NXUPSCVRUAZSNX-HXUWFJFHSA-N 2 1 347.503 1.012 20 0 EDADMP COCCC1(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000649293136 451969400 /nfs/dbraw/zinc/96/94/00/451969400.db2.gz AHKPDMPGQJGVHI-HOTGVXAUSA-N 2 1 325.497 1.629 20 0 EDADMP [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000649304201 451980443 /nfs/dbraw/zinc/98/04/43/451980443.db2.gz NWLVQZWBBWWUTJ-AEFFLSMTSA-N 2 1 331.460 1.875 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649305507 451981279 /nfs/dbraw/zinc/98/12/79/451981279.db2.gz UXPHFUJELATORD-MSOLQXFVSA-N 2 1 331.460 1.251 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cnn1C ZINC000649310407 451987714 /nfs/dbraw/zinc/98/77/14/451987714.db2.gz DLVWIVJHEAXZQE-JQHSSLGASA-N 2 1 347.507 1.268 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649318901 451998681 /nfs/dbraw/zinc/99/86/81/451998681.db2.gz UOEWBVYUWDGXIH-CABCVRRESA-N 2 1 325.840 1.567 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649318901 451998690 /nfs/dbraw/zinc/99/86/90/451998690.db2.gz UOEWBVYUWDGXIH-CABCVRRESA-N 2 1 325.840 1.567 20 0 EDADMP C[C@@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1CCO ZINC000639664936 452008728 /nfs/dbraw/zinc/00/87/28/452008728.db2.gz TWJWLFSBFFZEAG-WSTZPKSXSA-N 2 1 347.503 1.010 20 0 EDADMP C[C@@H]1CN(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@H+]1CCO ZINC000639664936 452008735 /nfs/dbraw/zinc/00/87/35/452008735.db2.gz TWJWLFSBFFZEAG-WSTZPKSXSA-N 2 1 347.503 1.010 20 0 EDADMP C[C@@H]1CN(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@@H+]1CCO ZINC000639664936 452008740 /nfs/dbraw/zinc/00/87/40/452008740.db2.gz TWJWLFSBFFZEAG-WSTZPKSXSA-N 2 1 347.503 1.010 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000649351043 452032886 /nfs/dbraw/zinc/03/28/86/452032886.db2.gz GCOKTAKXZUPCPH-ZIFCJYIRSA-N 2 1 344.503 1.688 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000649351042 452033394 /nfs/dbraw/zinc/03/33/94/452033394.db2.gz GCOKTAKXZUPCPH-LMMKCTJWSA-N 2 1 344.503 1.688 20 0 EDADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649351176 452035467 /nfs/dbraw/zinc/03/54/67/452035467.db2.gz XFTSJWAPPGULMW-QRVBRYPASA-N 2 1 342.487 1.061 20 0 EDADMP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(C)nc4ncnn43)CC2)CC1 ZINC000643197210 452064259 /nfs/dbraw/zinc/06/42/59/452064259.db2.gz GNVHZDNPDGPGMJ-UHFFFAOYSA-N 2 1 343.479 1.429 20 0 EDADMP CC[NH+]1CCC([N@H+]2CCCN(c3cc(C)nc4ncnn43)CC2)CC1 ZINC000643197210 452064265 /nfs/dbraw/zinc/06/42/65/452064265.db2.gz GNVHZDNPDGPGMJ-UHFFFAOYSA-N 2 1 343.479 1.429 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000649411941 452075347 /nfs/dbraw/zinc/07/53/47/452075347.db2.gz XFLJWKMPAVHWAN-PMACEKPBSA-N 3 1 333.520 1.970 20 0 EDADMP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)C2=O)n(C)n1 ZINC000649418231 452080704 /nfs/dbraw/zinc/08/07/04/452080704.db2.gz LOUAHAZKPDKDHI-BBWFWOEESA-N 2 1 345.491 1.545 20 0 EDADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000637797545 452087303 /nfs/dbraw/zinc/08/73/03/452087303.db2.gz ASQCENHGLGORCQ-IEBWSBKVSA-N 2 1 331.460 1.488 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@@H+](C)[C@H](C(C)(C)C)C2)CC1 ZINC000639748977 452091999 /nfs/dbraw/zinc/09/19/99/452091999.db2.gz PJHVRTSAMAISGF-KRWDZBQOSA-N 2 1 338.540 1.638 20 0 EDADMP Cc1ccc2nc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)cc(=O)n2c1 ZINC000639758419 452096048 /nfs/dbraw/zinc/09/60/48/452096048.db2.gz SPMGZJBMKOHFQR-UHFFFAOYSA-N 2 1 326.444 1.921 20 0 EDADMP Nc1ccc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000637827864 452103908 /nfs/dbraw/zinc/10/39/08/452103908.db2.gz BLBSWSRYKNOSMM-UHFFFAOYSA-N 2 1 339.443 1.986 20 0 EDADMP OC[C@H]1CCCCC[N@H+]1CC1(C[NH+]2CCCCC[C@H]2CO)COC1 ZINC000653783338 452113659 /nfs/dbraw/zinc/11/36/59/452113659.db2.gz IRGCQBQJYBVNEH-HDICACEKSA-N 2 1 340.508 1.477 20 0 EDADMP OC[C@H]1CCCCC[NH+]1CC1(C[N@@H+]2CCCCC[C@H]2CO)COC1 ZINC000653783338 452113668 /nfs/dbraw/zinc/11/36/68/452113668.db2.gz IRGCQBQJYBVNEH-HDICACEKSA-N 2 1 340.508 1.477 20 0 EDADMP OC[C@H]1CCCCC[NH+]1CC1(C[N@H+]2CCCCC[C@H]2CO)COC1 ZINC000653783338 452113674 /nfs/dbraw/zinc/11/36/74/452113674.db2.gz IRGCQBQJYBVNEH-HDICACEKSA-N 2 1 340.508 1.477 20 0 EDADMP O=C([C@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000647486374 452230481 /nfs/dbraw/zinc/23/04/81/452230481.db2.gz IZDKQLYCNCOIAQ-IRXDYDNUSA-N 2 1 343.471 1.697 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C1CCCC1 ZINC000645267164 452244948 /nfs/dbraw/zinc/24/49/48/452244948.db2.gz HBEBRYHYAFQLKA-UHFFFAOYSA-N 2 1 338.496 1.367 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)CC2)nc(C)[nH+]1 ZINC000655451463 452245892 /nfs/dbraw/zinc/24/58/92/452245892.db2.gz PMPWFIASOOPSTR-LPHOPBHVSA-N 2 1 343.475 1.568 20 0 EDADMP C[C@H](CO)C1CC[NH+](CC(O)C[NH+]2CCC([C@H](C)CO)CC2)CC1 ZINC000649799464 452264557 /nfs/dbraw/zinc/26/45/57/452264557.db2.gz XPFJDNUMNXEHRH-HZPDHXFCSA-N 2 1 342.524 1.028 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659423659 452265107 /nfs/dbraw/zinc/26/51/07/452265107.db2.gz KLRWZLAEQSBBCJ-QGZVFWFLSA-N 2 1 338.496 1.130 20 0 EDADMP Cc1cccc(C[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000647529772 452266608 /nfs/dbraw/zinc/26/66/08/452266608.db2.gz AIGKBNHADQFQMD-SFTDATJTSA-N 2 1 342.483 1.981 20 0 EDADMP Cc1cccc(C[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000647529772 452266618 /nfs/dbraw/zinc/26/66/18/452266618.db2.gz AIGKBNHADQFQMD-SFTDATJTSA-N 2 1 342.483 1.981 20 0 EDADMP C[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1(C)C ZINC000641799467 452275265 /nfs/dbraw/zinc/27/52/65/452275265.db2.gz NWZZQXMEZUDUMN-OAHLLOKOSA-N 2 1 338.496 1.223 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCCc1cccc2cccnc21 ZINC000641802011 452276591 /nfs/dbraw/zinc/27/65/91/452276591.db2.gz XQJHQTPZXSLBAR-CVEARBPZSA-N 2 1 326.444 1.609 20 0 EDADMP CO[C@]1(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)CCOC1 ZINC000638031769 452281607 /nfs/dbraw/zinc/28/16/07/452281607.db2.gz AHNQNBZUNZFAHI-FQEVSTJZSA-N 2 1 347.503 1.542 20 0 EDADMP CCCN(C(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000645304364 452283040 /nfs/dbraw/zinc/28/30/40/452283040.db2.gz SEVSMPRBEQPQTA-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP CCCN(C(=O)NCCCCN1CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000645304364 452283045 /nfs/dbraw/zinc/28/30/45/452283045.db2.gz SEVSMPRBEQPQTA-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP CCCN(C(=O)NCCCCN1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000645304364 452283054 /nfs/dbraw/zinc/28/30/54/452283054.db2.gz SEVSMPRBEQPQTA-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000641805339 452283965 /nfs/dbraw/zinc/28/39/65/452283965.db2.gz NBMUYRGODUWIEQ-NSNWQYSKSA-N 2 1 347.459 1.389 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)NCC12CC(C1)C[NH2+]2 ZINC000659455454 452304891 /nfs/dbraw/zinc/30/48/91/452304891.db2.gz ZELRDJWGDBBGKP-HFCFLWKCSA-N 2 1 328.460 1.702 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000659456980 452308694 /nfs/dbraw/zinc/30/86/94/452308694.db2.gz VELKPRBCPUPGOC-JJXSEGSLSA-N 2 1 344.475 1.204 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659458134 452310016 /nfs/dbraw/zinc/31/00/16/452310016.db2.gz PKXVKTXZTFGFSV-QZTJIDSGSA-N 2 1 334.508 1.892 20 0 EDADMP CCO[C@@H]1CN(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652128207 452323384 /nfs/dbraw/zinc/32/33/84/452323384.db2.gz SCIXNGNRXMTCFB-KLHDSHLOSA-N 2 1 326.485 1.112 20 0 EDADMP [NH3+]CC1(CCNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000652134102 452330749 /nfs/dbraw/zinc/33/07/49/452330749.db2.gz IXVLURWUJMKKCE-UHFFFAOYSA-N 2 1 346.475 1.447 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652150481 452343271 /nfs/dbraw/zinc/34/32/71/452343271.db2.gz YADWIDKQUXCUMV-HNNXBMFYSA-N 2 1 338.427 1.194 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000652158968 452352556 /nfs/dbraw/zinc/35/25/56/452352556.db2.gz OIMAXOJANMUUEU-INIZCTEOSA-N 2 1 347.507 1.089 20 0 EDADMP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657594486 452359788 /nfs/dbraw/zinc/35/97/88/452359788.db2.gz ATNICQMLRIJPMX-QGZVFWFLSA-N 2 1 329.448 1.463 20 0 EDADMP [NH3+]Cc1ncc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000638070928 452376242 /nfs/dbraw/zinc/37/62/42/452376242.db2.gz YDHRHWPGPLMOHR-UHFFFAOYSA-N 2 1 325.416 1.114 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC2([NH3+])CCC2)C1 ZINC000659530107 452393143 /nfs/dbraw/zinc/39/31/43/452393143.db2.gz NISJCEYPFRQMLF-KRWDZBQOSA-N 2 1 330.476 1.826 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC000652225111 452417216 /nfs/dbraw/zinc/41/72/16/452417216.db2.gz QGBUECZSUGZEPR-UHFFFAOYSA-N 2 1 328.501 1.374 20 0 EDADMP CC[N@@H+](CCCNC(=O)N1CCO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000652227353 452418714 /nfs/dbraw/zinc/41/87/14/452418714.db2.gz DYBHJNGPGFECCR-MRXNPFEDSA-N 2 1 326.485 1.400 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000663693502 452431811 /nfs/dbraw/zinc/43/18/11/452431811.db2.gz OZXOXEDXUNGVTI-DOTOQJQBSA-N 2 1 340.512 1.203 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)[C@H]2C1 ZINC000659578535 452434056 /nfs/dbraw/zinc/43/40/56/452434056.db2.gz DKZNHKLWNYJWGX-MANSERQUSA-N 2 1 342.487 1.868 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(C[NH3+])cc3F)CC[C@@H]21 ZINC000652276214 452464198 /nfs/dbraw/zinc/46/41/98/452464198.db2.gz MDVNIRNOUSQHPN-RDJZCZTQSA-N 2 1 334.439 1.910 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659609624 452465477 /nfs/dbraw/zinc/46/54/77/452465477.db2.gz KNHRYVUCXVRENK-ARFHVFGLSA-N 2 1 336.480 1.023 20 0 EDADMP CN(C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1CC[NH2+]CC1 ZINC000659609376 452465596 /nfs/dbraw/zinc/46/55/96/452465596.db2.gz JTTKLUDRPDGAQA-HZPDHXFCSA-N 2 1 336.480 1.023 20 0 EDADMP CCN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000663765427 452493992 /nfs/dbraw/zinc/49/39/92/452493992.db2.gz XPRZCTVUFNQXMI-ROUUACIJSA-N 2 1 332.492 1.895 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652321626 452495124 /nfs/dbraw/zinc/49/51/24/452495124.db2.gz KCTWTBIBHGJOJI-UHFFFAOYSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654435609 452495892 /nfs/dbraw/zinc/49/58/92/452495892.db2.gz XJQJVMQAHKJAMR-JONQDZQNSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654435609 452495898 /nfs/dbraw/zinc/49/58/98/452495898.db2.gz XJQJVMQAHKJAMR-JONQDZQNSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654435609 452495904 /nfs/dbraw/zinc/49/59/04/452495904.db2.gz XJQJVMQAHKJAMR-JONQDZQNSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654435609 452495912 /nfs/dbraw/zinc/49/59/12/452495912.db2.gz XJQJVMQAHKJAMR-JONQDZQNSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C(=O)N1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655687641 452510317 /nfs/dbraw/zinc/51/03/17/452510317.db2.gz UGXIKOTXKVDKHH-SFHVURJKSA-N 2 1 337.508 1.866 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)NCc3ccc(F)cc3)C2)C1 ZINC000652345458 452520592 /nfs/dbraw/zinc/52/05/92/452520592.db2.gz CEUMCXWPVIKNAN-JQHSSLGASA-N 2 1 349.450 1.660 20 0 EDADMP NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346835 452522824 /nfs/dbraw/zinc/52/28/24/452522824.db2.gz JRUXPXBMVJGCOI-SVGFKBNWSA-N 2 1 335.423 1.570 20 0 EDADMP NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346835 452522831 /nfs/dbraw/zinc/52/28/31/452522831.db2.gz JRUXPXBMVJGCOI-SVGFKBNWSA-N 2 1 335.423 1.570 20 0 EDADMP O=C(NCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(O)c1 ZINC000655704890 452523771 /nfs/dbraw/zinc/52/37/71/452523771.db2.gz PGTNSJCOUNRNEL-QGZVFWFLSA-N 2 1 347.459 1.355 20 0 EDADMP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350888 452527263 /nfs/dbraw/zinc/52/72/63/452527263.db2.gz RQOAGSRAPDGFGM-ALKREAHSSA-N 2 1 333.451 1.934 20 0 EDADMP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350888 452527267 /nfs/dbraw/zinc/52/72/67/452527267.db2.gz RQOAGSRAPDGFGM-ALKREAHSSA-N 2 1 333.451 1.934 20 0 EDADMP COc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652361061 452540949 /nfs/dbraw/zinc/54/09/49/452540949.db2.gz XDOYEXLPDXEPFS-OLMNPRSZSA-N 2 1 347.459 1.995 20 0 EDADMP COc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652361061 452540960 /nfs/dbraw/zinc/54/09/60/452540960.db2.gz XDOYEXLPDXEPFS-OLMNPRSZSA-N 2 1 347.459 1.995 20 0 EDADMP CN(CC(F)(F)F)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361243 452542483 /nfs/dbraw/zinc/54/24/83/452542483.db2.gz AFROCSRSLQIHKF-XQQFMLRXSA-N 2 1 337.386 1.368 20 0 EDADMP CN(CC(F)(F)F)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361243 452542485 /nfs/dbraw/zinc/54/24/85/452542485.db2.gz AFROCSRSLQIHKF-XQQFMLRXSA-N 2 1 337.386 1.368 20 0 EDADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655734036 452545872 /nfs/dbraw/zinc/54/58/72/452545872.db2.gz XVNDQRJEJNCDRQ-GUDVDZBRSA-N 2 1 337.508 1.207 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000655741885 452552304 /nfs/dbraw/zinc/55/23/04/452552304.db2.gz RSHDDSGMMZAYPS-SJLPKXTDSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000655741885 452552313 /nfs/dbraw/zinc/55/23/13/452552313.db2.gz RSHDDSGMMZAYPS-SJLPKXTDSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000655741885 452552321 /nfs/dbraw/zinc/55/23/21/452552321.db2.gz RSHDDSGMMZAYPS-SJLPKXTDSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000655741885 452552330 /nfs/dbraw/zinc/55/23/30/452552330.db2.gz RSHDDSGMMZAYPS-SJLPKXTDSA-N 2 1 346.475 1.319 20 0 EDADMP OCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCOCC1 ZINC000655755241 452559786 /nfs/dbraw/zinc/55/97/86/452559786.db2.gz UUXYMGQQRDMCCT-QZTJIDSGSA-N 2 1 326.481 1.397 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)C1=O ZINC000666123825 452619891 /nfs/dbraw/zinc/61/98/91/452619891.db2.gz OACUKYDAOLVELC-LAIHZFQQSA-N 2 1 333.476 1.434 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000647957261 452699951 /nfs/dbraw/zinc/69/99/51/452699951.db2.gz HQFZKFCUJGGLPU-SFHVURJKSA-N 2 1 335.492 1.384 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000647957261 452699954 /nfs/dbraw/zinc/69/99/54/452699954.db2.gz HQFZKFCUJGGLPU-SFHVURJKSA-N 2 1 335.492 1.384 20 0 EDADMP O=c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2sccn21 ZINC000647977040 452721389 /nfs/dbraw/zinc/72/13/89/452721389.db2.gz XJLOMECRZVKEGY-UONOGXRCSA-N 2 1 332.473 1.968 20 0 EDADMP Cc1c(N(C)C[C@H]2CCC[N@H+]2C)ncnc1N(C)C[C@@H]1CCC[NH+]1C ZINC000664029261 452729239 /nfs/dbraw/zinc/72/92/39/452729239.db2.gz MFCWCBIBNWGORC-CALCHBBNSA-N 2 1 346.523 1.846 20 0 EDADMP Cc1c(N(C)C[C@H]2CCC[NH+]2C)ncnc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000664029261 452729244 /nfs/dbraw/zinc/72/92/44/452729244.db2.gz MFCWCBIBNWGORC-CALCHBBNSA-N 2 1 346.523 1.846 20 0 EDADMP Cc1c(N(C)C[C@H]2CCC[NH+]2C)ncnc1N(C)C[C@@H]1CCC[N@H+]1C ZINC000664029261 452729248 /nfs/dbraw/zinc/72/92/48/452729248.db2.gz MFCWCBIBNWGORC-CALCHBBNSA-N 2 1 346.523 1.846 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964149 452746877 /nfs/dbraw/zinc/74/68/77/452746877.db2.gz PHTCQECIVABCIY-AIANPOQGSA-N 2 1 340.512 1.691 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964149 452746882 /nfs/dbraw/zinc/74/68/82/452746882.db2.gz PHTCQECIVABCIY-AIANPOQGSA-N 2 1 340.512 1.691 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000655971159 452752783 /nfs/dbraw/zinc/75/27/83/452752783.db2.gz UPGFMZVXMSKZOB-QMHWVQJVSA-N 2 1 326.485 1.253 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000655971159 452752791 /nfs/dbraw/zinc/75/27/91/452752791.db2.gz UPGFMZVXMSKZOB-QMHWVQJVSA-N 2 1 326.485 1.253 20 0 EDADMP C[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971156 452752947 /nfs/dbraw/zinc/75/29/47/452752947.db2.gz UOHGGUKIGIUMMD-SOUVJXGZSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971156 452752952 /nfs/dbraw/zinc/75/29/52/452752952.db2.gz UOHGGUKIGIUMMD-SOUVJXGZSA-N 2 1 326.485 1.255 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654665457 452778669 /nfs/dbraw/zinc/77/86/69/452778669.db2.gz IPAKHTSIUJJNCD-GASCZTMLSA-N 2 1 326.485 1.079 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654665457 452778677 /nfs/dbraw/zinc/77/86/77/452778677.db2.gz IPAKHTSIUJJNCD-GASCZTMLSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000664219183 452894146 /nfs/dbraw/zinc/89/41/46/452894146.db2.gz QFUOQZZJTTXOSV-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000660012037 452919969 /nfs/dbraw/zinc/91/99/69/452919969.db2.gz KGLRGDRKVQVINQ-KSZLIROESA-N 2 1 336.524 1.203 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000660012037 452919977 /nfs/dbraw/zinc/91/99/77/452919977.db2.gz KGLRGDRKVQVINQ-KSZLIROESA-N 2 1 336.524 1.203 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000660012037 452919985 /nfs/dbraw/zinc/91/99/85/452919985.db2.gz KGLRGDRKVQVINQ-KSZLIROESA-N 2 1 336.524 1.203 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(-n4cncn4)cc3)C2)C1 ZINC000650706647 452942781 /nfs/dbraw/zinc/94/27/81/452942781.db2.gz PBUKDHTVEUELGQ-LMMKCTJWSA-N 2 1 341.459 1.986 20 0 EDADMP CN1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000650720269 452949367 /nfs/dbraw/zinc/94/93/67/452949367.db2.gz KDPVPSIERFPWIW-RTBURBONSA-N 2 1 344.503 1.042 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000652813426 452972398 /nfs/dbraw/zinc/97/23/98/452972398.db2.gz CPJAXHWXWWDDAD-QYZOEREBSA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000652813426 452972411 /nfs/dbraw/zinc/97/24/11/452972411.db2.gz CPJAXHWXWWDDAD-QYZOEREBSA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000652813426 452972421 /nfs/dbraw/zinc/97/24/21/452972421.db2.gz CPJAXHWXWWDDAD-QYZOEREBSA-N 2 1 343.471 1.583 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664296393 452975304 /nfs/dbraw/zinc/97/53/04/452975304.db2.gz KRCGYUFPCBLFRG-INIZCTEOSA-N 2 1 328.501 1.471 20 0 EDADMP CCn1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1=O ZINC000664315076 452990225 /nfs/dbraw/zinc/99/02/25/452990225.db2.gz RAMQXRRMOZITEY-AWEZNQCLSA-N 2 1 337.468 1.262 20 0 EDADMP CCn1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1=O ZINC000664315076 452990233 /nfs/dbraw/zinc/99/02/33/452990233.db2.gz RAMQXRRMOZITEY-AWEZNQCLSA-N 2 1 337.468 1.262 20 0 EDADMP c1ccc(-n2nnnc2C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662297736 453019135 /nfs/dbraw/zinc/01/91/35/453019135.db2.gz RJQMAPBRNDYLCP-MRXNPFEDSA-N 2 1 326.448 1.874 20 0 EDADMP c1ccc(-n2nnnc2C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662297736 453019139 /nfs/dbraw/zinc/01/91/39/453019139.db2.gz RJQMAPBRNDYLCP-MRXNPFEDSA-N 2 1 326.448 1.874 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000654923368 453039266 /nfs/dbraw/zinc/03/92/66/453039266.db2.gz MRVREXDDBQIUDF-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000654923368 453039275 /nfs/dbraw/zinc/03/92/75/453039275.db2.gz MRVREXDDBQIUDF-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000654923368 453039286 /nfs/dbraw/zinc/03/92/86/453039286.db2.gz MRVREXDDBQIUDF-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP Cc1noc([C@H](C)[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338503 453057219 /nfs/dbraw/zinc/05/72/19/453057219.db2.gz SJVBQTQCEMFEHM-JSGCOSHPSA-N 2 1 345.451 1.451 20 0 EDADMP Cc1noc([C@H](C)[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338503 453057227 /nfs/dbraw/zinc/05/72/27/453057227.db2.gz SJVBQTQCEMFEHM-JSGCOSHPSA-N 2 1 345.451 1.451 20 0 EDADMP C[C@H]1CN(c2ccccc2F)CC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666699065 453077321 /nfs/dbraw/zinc/07/73/21/453077321.db2.gz IWOQOVXHXRJPLM-HOTGVXAUSA-N 2 1 348.466 1.534 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000662379614 453087105 /nfs/dbraw/zinc/08/71/05/453087105.db2.gz GCLFEOBAOKBZCE-RVKKMQEKSA-N 2 1 333.476 1.910 20 0 EDADMP [NH3+][C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1Br ZINC000662412532 453122465 /nfs/dbraw/zinc/12/24/65/453122465.db2.gz NFHTUXHRDIWJHI-ZWNOBZJWSA-N 2 1 326.238 1.565 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662391789 453102699 /nfs/dbraw/zinc/10/26/99/453102699.db2.gz IPJAHQKSLPNFJD-FZMZJTMJSA-N 2 1 340.265 1.907 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)COc1ccccc1F)CCO2 ZINC000646103628 453107586 /nfs/dbraw/zinc/10/75/86/453107586.db2.gz ZBEGLKHBKRSFLV-HNNXBMFYSA-N 2 1 338.423 1.362 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)COc1ccccc1F)CCO2 ZINC000646103628 453107590 /nfs/dbraw/zinc/10/75/90/453107590.db2.gz ZBEGLKHBKRSFLV-HNNXBMFYSA-N 2 1 338.423 1.362 20 0 EDADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000666754435 453117654 /nfs/dbraw/zinc/11/76/54/453117654.db2.gz NHDIWPLEYPBLAC-IAGOWNOFSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000652940405 453118604 /nfs/dbraw/zinc/11/86/04/453118604.db2.gz JPHTXWVGACMJBA-FXAWDEMLSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000652940405 453118614 /nfs/dbraw/zinc/11/86/14/453118614.db2.gz JPHTXWVGACMJBA-FXAWDEMLSA-N 2 1 344.503 1.403 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662434670 453141619 /nfs/dbraw/zinc/14/16/19/453141619.db2.gz HKIXNYKMAWZGHR-CQSZACIVSA-N 2 1 340.265 1.907 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662442784 453150659 /nfs/dbraw/zinc/15/06/59/453150659.db2.gz YFNJCTHWJJHZLE-MSOLQXFVSA-N 2 1 345.487 1.906 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000662475763 453189165 /nfs/dbraw/zinc/18/91/65/453189165.db2.gz OSAKSRQJZQWVID-SJORKVTESA-N 2 1 346.475 1.789 20 0 EDADMP [NH3+][C@H](c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)[C@@H]1CCCO1 ZINC000656468778 453205028 /nfs/dbraw/zinc/20/50/28/453205028.db2.gz SHNVEGOQWDVPGA-NZSAHSFTSA-N 2 1 341.459 1.979 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000646203467 453215057 /nfs/dbraw/zinc/21/50/57/453215057.db2.gz KMFUQVPJJUGFTQ-CRAIPNDOSA-N 2 1 349.475 1.768 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000646203467 453215065 /nfs/dbraw/zinc/21/50/65/453215065.db2.gz KMFUQVPJJUGFTQ-CRAIPNDOSA-N 2 1 349.475 1.768 20 0 EDADMP C[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)[N@@H+]1CCO ZINC000648756459 453237708 /nfs/dbraw/zinc/23/77/08/453237708.db2.gz GNCHHSUBLMYVQB-CALCHBBNSA-N 2 1 335.492 1.514 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)N1CCO ZINC000648756459 453237713 /nfs/dbraw/zinc/23/77/13/453237713.db2.gz GNCHHSUBLMYVQB-CALCHBBNSA-N 2 1 335.492 1.514 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)N1CCO ZINC000648756459 453237719 /nfs/dbraw/zinc/23/77/19/453237719.db2.gz GNCHHSUBLMYVQB-CALCHBBNSA-N 2 1 335.492 1.514 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000666925921 453254194 /nfs/dbraw/zinc/25/41/94/453254194.db2.gz HQSOSFFUKQNSSP-QGZVFWFLSA-N 2 1 338.496 1.225 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CC1 ZINC000655162356 453277073 /nfs/dbraw/zinc/27/70/73/453277073.db2.gz HPWSLAJTADFPGO-KURKYZTESA-N 2 1 335.492 1.619 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)COCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000646277763 453283208 /nfs/dbraw/zinc/28/32/08/453283208.db2.gz JAWXUFQPUJDRTB-MLGOLLRUSA-N 2 1 343.830 1.563 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)c2sc3c(c2Br)C[NH2+]C3)CC[NH2+]1 ZINC000662562880 453291353 /nfs/dbraw/zinc/29/13/53/453291353.db2.gz QQRXYBAOEGFCEN-YUMQZZPRSA-N 2 1 344.278 1.984 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000660431467 453303502 /nfs/dbraw/zinc/30/35/02/453303502.db2.gz ZJOIIXMTYQABGU-IKGGRYGDSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000660431467 453303508 /nfs/dbraw/zinc/30/35/08/453303508.db2.gz ZJOIIXMTYQABGU-IKGGRYGDSA-N 2 1 325.497 1.281 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCc3sccc3C2)C1 ZINC000660450839 453319697 /nfs/dbraw/zinc/31/96/97/453319697.db2.gz WPBNAJPIUYEWOY-OAHLLOKOSA-N 2 1 336.505 1.890 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCc3sccc3C2)C1 ZINC000660450839 453319701 /nfs/dbraw/zinc/31/97/01/453319701.db2.gz WPBNAJPIUYEWOY-OAHLLOKOSA-N 2 1 336.505 1.890 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000660450839 453319709 /nfs/dbraw/zinc/31/97/09/453319709.db2.gz WPBNAJPIUYEWOY-OAHLLOKOSA-N 2 1 336.505 1.890 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000660450839 453319716 /nfs/dbraw/zinc/31/97/16/453319716.db2.gz WPBNAJPIUYEWOY-OAHLLOKOSA-N 2 1 336.505 1.890 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000651197400 453351128 /nfs/dbraw/zinc/35/11/28/453351128.db2.gz HVLQMBJWYVGOGB-JQHSSLGASA-N 2 1 337.508 1.580 20 0 EDADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000662663405 453377744 /nfs/dbraw/zinc/37/77/44/453377744.db2.gz FJHSHWDIWCLMSH-AEFFLSMTSA-N 2 1 329.444 1.544 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000653202940 453398220 /nfs/dbraw/zinc/39/82/20/453398220.db2.gz VTPIGKOFVQOYPB-VYHSGFQXSA-N 2 1 327.472 1.962 20 0 EDADMP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[N@H+]1CCC[C@@H](C)C1 ZINC000662680738 453400555 /nfs/dbraw/zinc/40/05/55/453400555.db2.gz XDQMMQVWYPSAFU-OAGGEKHMSA-N 2 1 348.495 1.443 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000662701485 453423328 /nfs/dbraw/zinc/42/33/28/453423328.db2.gz QUIKMHBXEJDION-KSZLIROESA-N 2 1 331.460 1.031 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000662704585 453426669 /nfs/dbraw/zinc/42/66/69/453426669.db2.gz FABRXLITFHKXDB-BVIKNXMNSA-N 2 1 333.476 1.136 20 0 EDADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000653246870 453430805 /nfs/dbraw/zinc/43/08/05/453430805.db2.gz BPAVMRZMYNJXMT-GUDVDZBRSA-N 2 1 345.487 1.721 20 0 EDADMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@H]1C[NH3+] ZINC000653246922 453432761 /nfs/dbraw/zinc/43/27/61/453432761.db2.gz DLIZIZDXJWGHQV-KZNAEPCWSA-N 2 1 346.475 1.116 20 0 EDADMP C[N@@H+]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)[C@@H](Cc2ccccc2)C1 ZINC000653253814 453438467 /nfs/dbraw/zinc/43/84/67/453438467.db2.gz BAVOOKMEQJGYRT-ZWKOTPCHSA-N 2 1 327.472 1.761 20 0 EDADMP C[N@H+]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)[C@@H](Cc2ccccc2)C1 ZINC000653253814 453438471 /nfs/dbraw/zinc/43/84/71/453438471.db2.gz BAVOOKMEQJGYRT-ZWKOTPCHSA-N 2 1 327.472 1.761 20 0 EDADMP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC[N@H+](C2CC2)C1 ZINC000667171424 453451597 /nfs/dbraw/zinc/45/15/97/453451597.db2.gz YKCSKIBMKORYLS-ZDUSSCGKSA-N 2 1 330.432 1.027 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662741185 453465650 /nfs/dbraw/zinc/46/56/50/453465650.db2.gz DGYMQHVOFGAXTM-WMZOPIPTSA-N 2 1 332.492 1.307 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662741185 453465658 /nfs/dbraw/zinc/46/56/58/453465658.db2.gz DGYMQHVOFGAXTM-WMZOPIPTSA-N 2 1 332.492 1.307 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662741611 453467395 /nfs/dbraw/zinc/46/73/95/453467395.db2.gz FWUKDBLDCMUYTH-SZMVWBNQSA-N 2 1 332.492 1.292 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662741611 453467405 /nfs/dbraw/zinc/46/74/05/453467405.db2.gz FWUKDBLDCMUYTH-SZMVWBNQSA-N 2 1 332.492 1.292 20 0 EDADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662749548 453479426 /nfs/dbraw/zinc/47/94/26/453479426.db2.gz JLHAHXBKOQPAEE-WFASDCNBSA-N 2 1 329.391 1.438 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)(N2CCCCC2)CC1 ZINC000662755579 453492600 /nfs/dbraw/zinc/49/26/00/453492600.db2.gz CDLPUTCAUSLBEQ-INIZCTEOSA-N 2 1 336.524 1.441 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000660706350 453531798 /nfs/dbraw/zinc/53/17/98/453531798.db2.gz OVMPDIZEROCIOI-QGZVFWFLSA-N 2 1 338.496 1.128 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662819211 453549745 /nfs/dbraw/zinc/54/97/45/453549745.db2.gz IJLRGNMUCVWLJZ-AWEZNQCLSA-N 2 1 337.386 1.098 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000662857353 453573117 /nfs/dbraw/zinc/57/31/17/453573117.db2.gz AIVYUTWCAGFWHD-KURKYZTESA-N 2 1 331.460 1.387 20 0 EDADMP O=C(NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)[C@H]1CCC[NH2+]1 ZINC000662887730 453588199 /nfs/dbraw/zinc/58/81/99/453588199.db2.gz OWXNDDAOEJTLIJ-QGZVFWFLSA-N 2 1 328.460 1.209 20 0 EDADMP CC[N@@H+](CCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CC1 ZINC000659034972 453591414 /nfs/dbraw/zinc/59/14/14/453591414.db2.gz SDPPKKISOXRSGI-KRWDZBQOSA-N 2 1 332.448 1.953 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1COCc2ccccc21 ZINC000665160281 453596490 /nfs/dbraw/zinc/59/64/90/453596490.db2.gz HDHOWEASWUZLDP-MAUKXSAKSA-N 2 1 348.491 1.829 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1COCc2ccccc21 ZINC000665160281 453596491 /nfs/dbraw/zinc/59/64/91/453596491.db2.gz HDHOWEASWUZLDP-MAUKXSAKSA-N 2 1 348.491 1.829 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662939799 453615732 /nfs/dbraw/zinc/61/57/32/453615732.db2.gz JASFVHZEMACSMB-ROUUACIJSA-N 2 1 344.503 1.307 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662939799 453615735 /nfs/dbraw/zinc/61/57/35/453615735.db2.gz JASFVHZEMACSMB-ROUUACIJSA-N 2 1 344.503 1.307 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000659091053 453625298 /nfs/dbraw/zinc/62/52/98/453625298.db2.gz MLSXQHXKSUUKIY-AWEZNQCLSA-N 2 1 332.448 1.320 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659096824 453629195 /nfs/dbraw/zinc/62/91/95/453629195.db2.gz WTKFQPMATPQOSX-AWEZNQCLSA-N 2 1 332.448 1.334 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662972481 453630802 /nfs/dbraw/zinc/63/08/02/453630802.db2.gz JOSNMSSNMYDJKU-YOEHRIQHSA-N 2 1 335.448 1.264 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)CCO2 ZINC000665356094 453664508 /nfs/dbraw/zinc/66/45/08/453664508.db2.gz GKSJMFTUQQTCED-HNNXBMFYSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000665356451 453664539 /nfs/dbraw/zinc/66/45/39/453664539.db2.gz PLTRYSUUSVXABK-LSDHHAIUSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000665356451 453664543 /nfs/dbraw/zinc/66/45/43/453664543.db2.gz PLTRYSUUSVXABK-LSDHHAIUSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000665356451 453664545 /nfs/dbraw/zinc/66/45/45/453664545.db2.gz PLTRYSUUSVXABK-LSDHHAIUSA-N 2 1 326.485 1.005 20 0 EDADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661035875 453689069 /nfs/dbraw/zinc/68/90/69/453689069.db2.gz BDYZNPDIYZMPET-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661035875 453689071 /nfs/dbraw/zinc/68/90/71/453689071.db2.gz BDYZNPDIYZMPET-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661035875 453689073 /nfs/dbraw/zinc/68/90/73/453689073.db2.gz BDYZNPDIYZMPET-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[NH2+]C(C)C)cc2)CC1 ZINC000659287689 453702623 /nfs/dbraw/zinc/70/26/23/453702623.db2.gz KTXKIEJPOLJJAA-UHFFFAOYSA-N 2 1 346.475 1.330 20 0 EDADMP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000661100807 453715675 /nfs/dbraw/zinc/71/56/75/453715675.db2.gz WVGMJNSHSZHZML-KRWDZBQOSA-N 2 1 330.476 1.712 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C[C@H](C)O1 ZINC000665554324 453745425 /nfs/dbraw/zinc/74/54/25/453745425.db2.gz JUIIYUAMLHEQSQ-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C[C@H](C)O1 ZINC000665554324 453745428 /nfs/dbraw/zinc/74/54/28/453745428.db2.gz JUIIYUAMLHEQSQ-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C[C@H](C)O1 ZINC000665554324 453745431 /nfs/dbraw/zinc/74/54/31/453745431.db2.gz JUIIYUAMLHEQSQ-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C[C@H](C)O1 ZINC000665554324 453745434 /nfs/dbraw/zinc/74/54/34/453745434.db2.gz JUIIYUAMLHEQSQ-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665556558 453749233 /nfs/dbraw/zinc/74/92/33/453749233.db2.gz ZKTXNMDGAYSTOE-JKSUJKDBSA-N 2 1 340.512 1.611 20 0 EDADMP CCN(C[C@H]1CCOC1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665639107 453778850 /nfs/dbraw/zinc/77/88/50/453778850.db2.gz MMNLTVUHYKVJGF-JKSUJKDBSA-N 2 1 328.501 1.326 20 0 EDADMP CCN(C[C@H]1CCOC1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665639107 453778852 /nfs/dbraw/zinc/77/88/52/453778852.db2.gz MMNLTVUHYKVJGF-JKSUJKDBSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000671307931 486651146 /nfs/dbraw/zinc/65/11/46/486651146.db2.gz ZDFUYPBYBPJOFV-IAGOWNOFSA-N 2 1 335.492 1.514 20 0 EDADMP CC[NH+](CC)CCCC1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000679915691 486670933 /nfs/dbraw/zinc/67/09/33/486670933.db2.gz VGIQRXCZDLEHKN-UHFFFAOYSA-N 2 1 338.540 1.594 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000680005870 486693370 /nfs/dbraw/zinc/69/33/70/486693370.db2.gz GZCDKHLSWHRODI-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@H](NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000676245893 486706422 /nfs/dbraw/zinc/70/64/22/486706422.db2.gz PPBGNQUGJWHOPR-LVQVYYBASA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000676245893 486706426 /nfs/dbraw/zinc/70/64/26/486706426.db2.gz PPBGNQUGJWHOPR-LVQVYYBASA-N 2 1 326.485 1.268 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)CC2)C1 ZINC000676698074 486845156 /nfs/dbraw/zinc/84/51/56/486845156.db2.gz LJEWVAVTWXYBTP-MOPGFXCFSA-N 2 1 348.535 1.632 20 0 EDADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)C1 ZINC000676698074 486845157 /nfs/dbraw/zinc/84/51/57/486845157.db2.gz LJEWVAVTWXYBTP-MOPGFXCFSA-N 2 1 348.535 1.632 20 0 EDADMP O=C(CN1CCN(c2[nH]cc[nH+]2)CC1)NCc1ccc(Cl)cc1 ZINC000683895279 486856373 /nfs/dbraw/zinc/85/63/73/486856373.db2.gz MTABLMNUCUUKJJ-UHFFFAOYSA-N 2 1 333.823 1.502 20 0 EDADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673515916 487038285 /nfs/dbraw/zinc/03/82/85/487038285.db2.gz OMZLHMGPJKTXBY-RBUKOAKNSA-N 2 1 343.471 1.564 20 0 EDADMP C[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000673670701 487085463 /nfs/dbraw/zinc/08/54/63/487085463.db2.gz NKXWOBORDSKRHW-OXJNMPFZSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000673749887 487106393 /nfs/dbraw/zinc/10/63/93/487106393.db2.gz QQLGTWQJWWORTP-MRXNPFEDSA-N 2 1 338.883 1.306 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000677712145 487155551 /nfs/dbraw/zinc/15/55/51/487155551.db2.gz OSTNLFAKUOXEKI-GOSISDBHSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000677712145 487155555 /nfs/dbraw/zinc/15/55/55/487155555.db2.gz OSTNLFAKUOXEKI-GOSISDBHSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000677712145 487155557 /nfs/dbraw/zinc/15/55/57/487155557.db2.gz OSTNLFAKUOXEKI-GOSISDBHSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000673992383 487178908 /nfs/dbraw/zinc/17/89/08/487178908.db2.gz FLOSYCSODNZIFC-HZPDHXFCSA-N 2 1 340.512 1.068 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC000673992383 487178910 /nfs/dbraw/zinc/17/89/10/487178910.db2.gz FLOSYCSODNZIFC-HZPDHXFCSA-N 2 1 340.512 1.068 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000673992383 487178914 /nfs/dbraw/zinc/17/89/14/487178914.db2.gz FLOSYCSODNZIFC-HZPDHXFCSA-N 2 1 340.512 1.068 20 0 EDADMP C[C@@H](Cc1ccncc1)NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000674160874 487209208 /nfs/dbraw/zinc/20/92/08/487209208.db2.gz ZDNBMTDNBSIZHP-RDJZCZTQSA-N 2 1 345.491 1.480 20 0 EDADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(NS(C)(=O)=O)c3)CC[C@@H]21 ZINC000678341246 487292395 /nfs/dbraw/zinc/29/23/95/487292395.db2.gz ZMIUXRGYKCSCBB-WBVHZDCISA-N 2 1 337.489 1.974 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(NS(C)(=O)=O)c3)CC[C@@H]21 ZINC000678341246 487292399 /nfs/dbraw/zinc/29/23/99/487292399.db2.gz ZMIUXRGYKCSCBB-WBVHZDCISA-N 2 1 337.489 1.974 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(NS(C)(=O)=O)c3)CC[C@@H]21 ZINC000678341246 487292400 /nfs/dbraw/zinc/29/24/00/487292400.db2.gz ZMIUXRGYKCSCBB-WBVHZDCISA-N 2 1 337.489 1.974 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(NS(C)(=O)=O)c3)CC[C@@H]21 ZINC000678341246 487292404 /nfs/dbraw/zinc/29/24/04/487292404.db2.gz ZMIUXRGYKCSCBB-WBVHZDCISA-N 2 1 337.489 1.974 20 0 EDADMP COC1(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000682943507 487433344 /nfs/dbraw/zinc/43/33/44/487433344.db2.gz ZCEGYELTXAWYKS-QGZVFWFLSA-N 2 1 325.497 1.332 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)NC/C=C\C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000669554177 485553816 /nfs/dbraw/zinc/55/38/16/485553816.db2.gz NNOSJIABUXGYMG-CJBXHNHZSA-N 2 1 344.459 1.787 20 0 EDADMP C[C@H](NC(=O)NC1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000669554651 485554184 /nfs/dbraw/zinc/55/41/84/485554184.db2.gz IKRZXJFSGVJHKZ-RDJZCZTQSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000669573792 485606103 /nfs/dbraw/zinc/60/61/03/485606103.db2.gz YIOOVHDDAXQMTN-CGTJXYLNSA-N 2 1 346.475 1.266 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc(N2CCCC2)[nH+]1 ZINC000669588623 485643595 /nfs/dbraw/zinc/64/35/95/485643595.db2.gz RNXWWFKVGVNGAK-MRXNPFEDSA-N 2 1 331.464 1.932 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000456877600 485647873 /nfs/dbraw/zinc/64/78/73/485647873.db2.gz IHGMUARJBUTUDN-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000456877600 485647881 /nfs/dbraw/zinc/64/78/81/485647881.db2.gz IHGMUARJBUTUDN-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000456877600 485647888 /nfs/dbraw/zinc/64/78/88/485647888.db2.gz IHGMUARJBUTUDN-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000673770736 485722267 /nfs/dbraw/zinc/72/22/67/485722267.db2.gz DNWIRFLHTWPFPA-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000669145103 485733828 /nfs/dbraw/zinc/73/38/28/485733828.db2.gz IVNVZLDDKRPQFF-LSDHHAIUSA-N 2 1 340.512 1.022 20 0 EDADMP C[C@@H](CNC(=O)NC1CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000669367596 486014314 /nfs/dbraw/zinc/01/43/14/486014314.db2.gz UTODNYBYVKWBDM-INIZCTEOSA-N 2 1 345.491 1.248 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000669389702 486025473 /nfs/dbraw/zinc/02/54/73/486025473.db2.gz ZOTBSNBRWZDZKG-IIAWOOMASA-N 2 1 348.516 1.888 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000669389702 486025478 /nfs/dbraw/zinc/02/54/78/486025478.db2.gz ZOTBSNBRWZDZKG-IIAWOOMASA-N 2 1 348.516 1.888 20 0 EDADMP CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092100171 491202240 /nfs/dbraw/zinc/20/22/40/491202240.db2.gz LRCMKONNMAVBSH-GOSISDBHSA-N 2 1 331.460 1.872 20 0 EDADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000132866528 491216944 /nfs/dbraw/zinc/21/69/44/491216944.db2.gz JTRBMMLMRYHGKB-GJZGRUSLSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000132866528 491216947 /nfs/dbraw/zinc/21/69/47/491216947.db2.gz JTRBMMLMRYHGKB-GJZGRUSLSA-N 2 1 326.485 1.269 20 0 EDADMP Cn1cc(C[C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C2)cn1 ZINC000304515601 491005032 /nfs/dbraw/zinc/00/50/32/491005032.db2.gz VLUWYGALRPSQSS-ICSRJNTNSA-N 2 1 342.487 1.777 20 0 EDADMP Cn1cc(C[C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C2)cn1 ZINC000304515601 491005033 /nfs/dbraw/zinc/00/50/33/491005033.db2.gz VLUWYGALRPSQSS-ICSRJNTNSA-N 2 1 342.487 1.777 20 0 EDADMP Cn1cc(C[C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)Cc3ccccc3)C2)cn1 ZINC000304515601 491005034 /nfs/dbraw/zinc/00/50/34/491005034.db2.gz VLUWYGALRPSQSS-ICSRJNTNSA-N 2 1 342.487 1.777 20 0 EDADMP Cn1cc(C[C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)Cc3ccccc3)C2)cn1 ZINC000304515601 491005035 /nfs/dbraw/zinc/00/50/35/491005035.db2.gz VLUWYGALRPSQSS-ICSRJNTNSA-N 2 1 342.487 1.777 20 0 EDADMP COC[C@@]1(CO)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420959067 491006401 /nfs/dbraw/zinc/00/64/01/491006401.db2.gz FEOHKOHPJBEGEY-IBGZPJMESA-N 2 1 334.460 1.350 20 0 EDADMP COC[C@@]1(CO)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420959067 491006402 /nfs/dbraw/zinc/00/64/02/491006402.db2.gz FEOHKOHPJBEGEY-IBGZPJMESA-N 2 1 334.460 1.350 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C[C@@H]3CNc4ccnn4C3)cc2)C1 ZINC000668490356 491179789 /nfs/dbraw/zinc/17/97/89/491179789.db2.gz QHEFGLFNBLMSMS-QZTJIDSGSA-N 2 1 341.459 1.281 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000171902838 528740938 /nfs/dbraw/zinc/74/09/38/528740938.db2.gz UJXJOEKFHBBJPP-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000158761748 528993993 /nfs/dbraw/zinc/99/39/93/528993993.db2.gz PGPYASMSEZNPBS-SJLPKXTDSA-N 2 1 336.524 1.392 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@]1(CC)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000119589491 535143666 /nfs/dbraw/zinc/14/36/66/535143666.db2.gz OYYBEVHLGOALJC-FUHWJXTLSA-N 2 1 325.497 1.629 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)C1 ZINC000352827099 535171078 /nfs/dbraw/zinc/17/10/78/535171078.db2.gz MAPNQXJRRPJUDL-IXDOHACOSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000352827099 535171082 /nfs/dbraw/zinc/17/10/82/535171082.db2.gz MAPNQXJRRPJUDL-IXDOHACOSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000352827099 535171083 /nfs/dbraw/zinc/17/10/83/535171083.db2.gz MAPNQXJRRPJUDL-IXDOHACOSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000343686846 535330768 /nfs/dbraw/zinc/33/07/68/535330768.db2.gz FGFBPJGPLBDVNQ-UHFFFAOYSA-N 2 1 338.496 1.437 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[N@H+]2CCCC[C@H]2C)C1(C)C ZINC000249096594 535440424 /nfs/dbraw/zinc/44/04/24/535440424.db2.gz IIBWUSQBKHLYGU-IIDMSEBBSA-N 2 1 325.497 1.900 20 0 EDADMP CCN1CCC([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000271718007 535473461 /nfs/dbraw/zinc/47/34/61/535473461.db2.gz PNSKEIMWWSFJJR-UHFFFAOYSA-N 2 1 332.492 1.552 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262662254 535714895 /nfs/dbraw/zinc/71/48/95/535714895.db2.gz YYKXOCXBBTVWST-TVFCKZIOSA-N 2 1 336.524 1.297 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000345897467 535777600 /nfs/dbraw/zinc/77/76/00/535777600.db2.gz BNFBQFWOGWYLOB-JKSUJKDBSA-N 2 1 345.491 1.388 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000345897467 535777602 /nfs/dbraw/zinc/77/76/02/535777602.db2.gz BNFBQFWOGWYLOB-JKSUJKDBSA-N 2 1 345.491 1.388 20 0 EDADMP Cn1nccc1[C@@H]1OCC[C@@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352708091 536057675 /nfs/dbraw/zinc/05/76/75/536057675.db2.gz VAYZBOHSMCAKSR-MLGOLLRUSA-N 2 1 335.477 1.806 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCC[NH+]1CCSCC1)c1ccccc1 ZINC000264905817 536128531 /nfs/dbraw/zinc/12/85/31/536128531.db2.gz VRSJOUKAALLWAE-INIZCTEOSA-N 2 1 336.505 1.637 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)c1cnn(C)c1 ZINC000262025727 536383453 /nfs/dbraw/zinc/38/34/53/536383453.db2.gz ACEHYOGCYJOFNY-IRXDYDNUSA-N 2 1 345.447 1.108 20 0 EDADMP COCCOc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@@H]([NH3+])[C@H]3C1)OCO2 ZINC000346830918 536602320 /nfs/dbraw/zinc/60/23/20/536602320.db2.gz PPXGTYHFVDAUKU-AEGPPILISA-N 2 1 334.416 1.610 20 0 EDADMP COCCOc1cc2c(cc1C[N@H+]1C[C@@H]3CC[C@@H]([NH3+])[C@H]3C1)OCO2 ZINC000346830918 536602327 /nfs/dbraw/zinc/60/23/27/536602327.db2.gz PPXGTYHFVDAUKU-AEGPPILISA-N 2 1 334.416 1.610 20 0 EDADMP COC[C@]1(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261555628 536658125 /nfs/dbraw/zinc/65/81/25/536658125.db2.gz BNQFWTMWSHFYLJ-KPFFTGBYSA-N 2 1 345.487 1.639 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000247195870 536798427 /nfs/dbraw/zinc/79/84/27/536798427.db2.gz VZRDPUDSRPIFBW-PKOBYXMFSA-N 2 1 334.508 1.850 20 0 EDADMP C[C@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1CCCCC1 ZINC000741081819 579396614 /nfs/dbraw/zinc/39/66/14/579396614.db2.gz UGQLARNXBBVMOB-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP COc1cccc(COC[C@H](O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000741384486 579414042 /nfs/dbraw/zinc/41/40/42/579414042.db2.gz BXZRTTSWQBUWDY-ZWKOTPCHSA-N 2 1 336.476 1.846 20 0 EDADMP COc1cccc(COC[C@H](O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000741384486 579414043 /nfs/dbraw/zinc/41/40/43/579414043.db2.gz BXZRTTSWQBUWDY-ZWKOTPCHSA-N 2 1 336.476 1.846 20 0 EDADMP COc1cccc(COC[C@H](O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000741384486 579414044 /nfs/dbraw/zinc/41/40/44/579414044.db2.gz BXZRTTSWQBUWDY-ZWKOTPCHSA-N 2 1 336.476 1.846 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000729926886 578597872 /nfs/dbraw/zinc/59/78/72/578597872.db2.gz QWCPIGMMASYAJS-OAHLLOKOSA-N 2 1 349.475 1.075 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)/C=C\c1ncc[nH]1 ZINC000493121984 578635106 /nfs/dbraw/zinc/63/51/06/578635106.db2.gz SPWLCTIZGDSIRX-JDZPGQNUSA-N 2 1 342.447 1.698 20 0 EDADMP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000733165261 578745624 /nfs/dbraw/zinc/74/56/24/578745624.db2.gz AKEVUKFOWXRXKB-QZTJIDSGSA-N 2 1 332.492 1.996 20 0 EDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737498943 579098764 /nfs/dbraw/zinc/09/87/64/579098764.db2.gz HPGPAVZNYZSZKL-UHFFFAOYSA-N 2 1 337.391 1.199 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C[C@H](C(C)C)CC2=O)C1 ZINC000747469630 579645205 /nfs/dbraw/zinc/64/52/05/579645205.db2.gz GMEDFDDZBBXBRL-IAGOWNOFSA-N 2 1 325.497 1.881 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C[C@H](C(C)C)CC2=O)C1 ZINC000747469630 579645206 /nfs/dbraw/zinc/64/52/06/579645206.db2.gz GMEDFDDZBBXBRL-IAGOWNOFSA-N 2 1 325.497 1.881 20 0 EDADMP C[NH+](C)CC1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000749735600 579737428 /nfs/dbraw/zinc/73/74/28/579737428.db2.gz KRBBVCMPTIROGQ-UHFFFAOYSA-N 2 1 342.553 1.293 20 0 EDADMP COCCC[N@H+]1Cc2ccc(NC(=S)NCC[NH+](C)C)cc2C1 ZINC000751026730 579792082 /nfs/dbraw/zinc/79/20/82/579792082.db2.gz WPFIVCQIRFQQMX-UHFFFAOYSA-N 2 1 336.505 1.887 20 0 EDADMP CC[C@@H](CNC(=O)CC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000751322726 579801496 /nfs/dbraw/zinc/80/14/96/579801496.db2.gz IGWLXTDLWHZWSS-IBGZPJMESA-N 2 1 345.487 1.662 20 0 EDADMP CC[C@@H](CNC(=O)CC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000751322726 579801498 /nfs/dbraw/zinc/80/14/98/579801498.db2.gz IGWLXTDLWHZWSS-IBGZPJMESA-N 2 1 345.487 1.662 20 0 EDADMP COc1cccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000752295011 579844531 /nfs/dbraw/zinc/84/45/31/579844531.db2.gz DRLZRDQDEYOSNW-UHFFFAOYSA-N 2 1 327.388 1.489 20 0 EDADMP CCCC[C@H]1NC(=O)N(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000755782178 579934881 /nfs/dbraw/zinc/93/48/81/579934881.db2.gz YGDLIYOYAZAGMN-JKSUJKDBSA-N 2 1 336.480 1.718 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C(=O)N[C@](C)(C4CC4)C3=O)C2)CC1 ZINC000755781369 579934950 /nfs/dbraw/zinc/93/49/50/579934950.db2.gz VJDVVYWALYKUCB-RDTXWAMCSA-N 2 1 334.464 1.328 20 0 EDADMP CC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000758244903 579978302 /nfs/dbraw/zinc/97/83/02/579978302.db2.gz XXTIRLVNLOBUFO-BEFAXECRSA-N 2 1 348.491 1.718 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000763121174 580093450 /nfs/dbraw/zinc/09/34/50/580093450.db2.gz LSFHAOSBZQMSHN-GOSISDBHSA-N 2 1 340.512 1.399 20 0 EDADMP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[S@]1=O ZINC000763491267 580100935 /nfs/dbraw/zinc/10/09/35/580100935.db2.gz MWDDYDLBJXNKJX-WAIKUNEKSA-N 2 1 335.517 1.781 20 0 EDADMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[S@]1=O ZINC000763491267 580100936 /nfs/dbraw/zinc/10/09/36/580100936.db2.gz MWDDYDLBJXNKJX-WAIKUNEKSA-N 2 1 335.517 1.781 20 0 EDADMP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[S@]1=O ZINC000763491263 580100941 /nfs/dbraw/zinc/10/09/41/580100941.db2.gz MWDDYDLBJXNKJX-QMHKHESXSA-N 2 1 335.517 1.781 20 0 EDADMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[S@]1=O ZINC000763491263 580100942 /nfs/dbraw/zinc/10/09/42/580100942.db2.gz MWDDYDLBJXNKJX-QMHKHESXSA-N 2 1 335.517 1.781 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CCCC2)[C@H](C)C1 ZINC000764605875 580124541 /nfs/dbraw/zinc/12/45/41/580124541.db2.gz DYFPNGYEKHOPKS-SJORKVTESA-N 2 1 325.497 1.726 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)CC[N@H+]1C ZINC000765279120 580139134 /nfs/dbraw/zinc/13/91/34/580139134.db2.gz FOSYRMVJEJJYQB-DYEKYZERSA-N 2 1 334.386 1.632 20 0 EDADMP OC[C@H]1CSCC[NH+]1CCCCCC[N@@H+]1CCSC[C@@H]1CO ZINC000767120368 580182067 /nfs/dbraw/zinc/18/20/67/580182067.db2.gz SDHGFPDAJWAQPP-HOTGVXAUSA-N 2 1 348.578 1.366 20 0 EDADMP C[C@H]([NH2+][C@@H](CCO)C1CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000771803402 580294688 /nfs/dbraw/zinc/29/46/88/580294688.db2.gz RWGCNBIOFZUCMR-SNRMKQJTSA-N 2 1 345.487 1.516 20 0 EDADMP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000776596181 580423480 /nfs/dbraw/zinc/42/34/80/580423480.db2.gz LNGGOGPDXRPZMR-JXMROGBWSA-N 2 1 331.460 1.804 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N2[C@H](C)CCC[C@H]2C)C1 ZINC000779649088 580492673 /nfs/dbraw/zinc/49/26/73/580492673.db2.gz HHPLYUFDCWVGHQ-KFWWJZLASA-N 2 1 340.468 1.384 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N2[C@H](C)CCC[C@H]2C)C1 ZINC000779649088 580492674 /nfs/dbraw/zinc/49/26/74/580492674.db2.gz HHPLYUFDCWVGHQ-KFWWJZLASA-N 2 1 340.468 1.384 20 0 EDADMP Cc1ccc(NC(=O)CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)cc1C ZINC000779650981 580492990 /nfs/dbraw/zinc/49/29/90/580492990.db2.gz BRYOZBJNIDQVIY-INIZCTEOSA-N 2 1 348.447 1.850 20 0 EDADMP Cc1ccc(NC(=O)CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)cc1C ZINC000779650981 580492991 /nfs/dbraw/zinc/49/29/91/580492991.db2.gz BRYOZBJNIDQVIY-INIZCTEOSA-N 2 1 348.447 1.850 20 0 EDADMP CC(C)CN(C(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1)C1CC1 ZINC000779651887 580493032 /nfs/dbraw/zinc/49/30/32/580493032.db2.gz MKPVVFABQCKOQW-HNNXBMFYSA-N 2 1 340.468 1.241 20 0 EDADMP CC(C)CN(C(=O)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1)C1CC1 ZINC000779651887 580493033 /nfs/dbraw/zinc/49/30/33/580493033.db2.gz MKPVVFABQCKOQW-HNNXBMFYSA-N 2 1 340.468 1.241 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000779654007 580493288 /nfs/dbraw/zinc/49/32/88/580493288.db2.gz NANUJZUFHLRABO-RBSFLKMASA-N 2 1 340.468 1.099 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000779654007 580493289 /nfs/dbraw/zinc/49/32/89/580493289.db2.gz NANUJZUFHLRABO-RBSFLKMASA-N 2 1 340.468 1.099 20 0 EDADMP CCOC(=O)N1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000781421948 580549232 /nfs/dbraw/zinc/54/92/32/580549232.db2.gz JCGCDUFSPZRGJP-QGZVFWFLSA-N 2 1 339.480 1.840 20 0 EDADMP O=C(C[N@H+]1C[C@@H]2C[C@]2(CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000782617682 580580598 /nfs/dbraw/zinc/58/05/98/580580598.db2.gz MKACUHNRNCWQHQ-AZUAARDMSA-N 2 1 343.471 1.213 20 0 EDADMP O=C(C[N@@H+]1C[C@@H]2C[C@]2(CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000782617682 580580599 /nfs/dbraw/zinc/58/05/99/580580599.db2.gz MKACUHNRNCWQHQ-AZUAARDMSA-N 2 1 343.471 1.213 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000785732598 580651569 /nfs/dbraw/zinc/65/15/69/580651569.db2.gz OCLWRIXINZUOEZ-OKILXGFUSA-N 2 1 337.464 1.145 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000785732598 580651570 /nfs/dbraw/zinc/65/15/70/580651570.db2.gz OCLWRIXINZUOEZ-OKILXGFUSA-N 2 1 337.464 1.145 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)CCCCO)cc2)CC1 ZINC000788278676 580715776 /nfs/dbraw/zinc/71/57/76/580715776.db2.gz LAAXKHDECARTDG-UHFFFAOYSA-N 2 1 348.491 1.471 20 0 EDADMP CC(C)(CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000790290968 580766190 /nfs/dbraw/zinc/76/61/90/580766190.db2.gz RJPMLMMVNITIPM-HZPDHXFCSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000799376605 581026862 /nfs/dbraw/zinc/02/68/62/581026862.db2.gz BQIYUKLMBZZJLC-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000891806108 590629211 /nfs/dbraw/zinc/62/92/11/590629211.db2.gz VPMPKBLAFPCOHM-MRXNPFEDSA-N 2 1 345.491 1.830 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000891816284 590633899 /nfs/dbraw/zinc/63/38/99/590633899.db2.gz VCJWIKIKOLIWJW-WMZOPIPTSA-N 2 1 346.475 1.473 20 0 EDADMP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000891816298 590634423 /nfs/dbraw/zinc/63/44/23/590634423.db2.gz VKVZRKPGHHXCNU-AEFFLSMTSA-N 2 1 346.475 1.473 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCCO1 ZINC000891857148 590657899 /nfs/dbraw/zinc/65/78/99/590657899.db2.gz ZAIZIDHIFFXWOY-JKSUJKDBSA-N 2 1 340.512 1.565 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893190702 590702971 /nfs/dbraw/zinc/70/29/71/590702971.db2.gz FSJHGGZINLBICX-IAGOWNOFSA-N 2 1 349.479 1.212 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000893190702 590702974 /nfs/dbraw/zinc/70/29/74/590702974.db2.gz FSJHGGZINLBICX-IAGOWNOFSA-N 2 1 349.479 1.212 20 0 EDADMP C[N@@H+](CCCO)C1CCN([C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892045692 590769583 /nfs/dbraw/zinc/76/95/83/590769583.db2.gz ZRYSXGDHQRHIRA-HZPDHXFCSA-N 2 1 330.444 1.399 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000890897137 590838533 /nfs/dbraw/zinc/83/85/33/590838533.db2.gz PTVHEMCRVFQHPX-KRWDZBQOSA-N 2 1 326.529 1.495 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CC[C@H]21 ZINC000892252153 590887657 /nfs/dbraw/zinc/88/76/57/590887657.db2.gz FSPNNENCYRIAIL-WJFTUGDTSA-N 2 1 342.487 1.868 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000892336122 590964237 /nfs/dbraw/zinc/96/42/37/590964237.db2.gz ZOSFNGMDLUBENW-UHFFFAOYSA-N 2 1 326.485 1.128 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)[C@H]1OC ZINC000892397802 591010685 /nfs/dbraw/zinc/01/06/85/591010685.db2.gz SXRUXRFKJGWCGJ-IYWMVGAKSA-N 2 1 347.503 1.757 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000892399962 591011942 /nfs/dbraw/zinc/01/19/42/591011942.db2.gz MDPUTFROMYFUOH-QZTJIDSGSA-N 2 1 332.492 1.930 20 0 EDADMP CN1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+](C)CC1 ZINC000888993670 591013421 /nfs/dbraw/zinc/01/34/21/591013421.db2.gz BMPUFXWEQDKQNJ-UHFFFAOYSA-N 2 1 344.503 1.602 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892467613 591037549 /nfs/dbraw/zinc/03/75/49/591037549.db2.gz HMFPHLVTRULJBO-NXVRBGIVSA-N 2 1 336.480 1.247 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000893699348 591052545 /nfs/dbraw/zinc/05/25/45/591052545.db2.gz KYZDNYUPKSURIP-DLBZAZTESA-N 2 1 340.512 1.707 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N(C)CCOCC[NH3+])C2)cc1 ZINC000892529862 591059806 /nfs/dbraw/zinc/05/98/06/591059806.db2.gz DAVAZONAIBYFEK-QGZVFWFLSA-N 2 1 334.464 1.186 20 0 EDADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000891365203 591062661 /nfs/dbraw/zinc/06/26/61/591062661.db2.gz HIMRMSONFZVVBF-NSHDSACASA-N 2 1 335.477 1.154 20 0 EDADMP CCC1([NH3+])CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2C)CC1 ZINC000891405971 591067651 /nfs/dbraw/zinc/06/76/51/591067651.db2.gz HAGUTENJWKVIQP-UHFFFAOYSA-N 2 1 342.447 1.989 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000893765730 591088312 /nfs/dbraw/zinc/08/83/12/591088312.db2.gz ZLKDQAMPMVLZCK-PMPSAXMXSA-N 2 1 326.485 1.079 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000893765730 591088318 /nfs/dbraw/zinc/08/83/18/591088318.db2.gz ZLKDQAMPMVLZCK-PMPSAXMXSA-N 2 1 326.485 1.079 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891507959 591098767 /nfs/dbraw/zinc/09/87/67/591098767.db2.gz LDVYOWAMGYMGOB-QRVBRYPASA-N 2 1 342.487 1.697 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CCCC1 ZINC000891510382 591099265 /nfs/dbraw/zinc/09/92/65/591099265.db2.gz VTGQHACGEQYKNY-CVEARBPZSA-N 2 1 338.496 1.101 20 0 EDADMP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000891513599 591101167 /nfs/dbraw/zinc/10/11/67/591101167.db2.gz FSCWEOBCIHKIAW-KDOFPFPSSA-N 2 1 346.475 1.834 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000891538415 591112674 /nfs/dbraw/zinc/11/26/74/591112674.db2.gz XXDZKCWNVZWWCH-LSDHHAIUSA-N 2 1 326.485 1.175 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000891576708 591133036 /nfs/dbraw/zinc/13/30/36/591133036.db2.gz NMGJJFXLAHWTQW-HOTGVXAUSA-N 2 1 338.496 1.319 20 0 EDADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000891578723 591133665 /nfs/dbraw/zinc/13/36/65/591133665.db2.gz ZVGYHPUJAUBJSU-ROUUACIJSA-N 2 1 328.460 1.484 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000891583339 591135279 /nfs/dbraw/zinc/13/52/79/591135279.db2.gz LUHWWOXFDMUKEG-YJBOKZPZSA-N 2 1 340.512 1.361 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000891601023 591143621 /nfs/dbraw/zinc/14/36/21/591143621.db2.gz DWHUEMXAVVBUJZ-IRXDYDNUSA-N 2 1 339.528 1.173 20 0 EDADMP Cc1[nH+]ccc(NC[C@@H]2CCC[N@H+]2CCCO)c1Br ZINC000894020962 591168922 /nfs/dbraw/zinc/16/89/22/591168922.db2.gz AXVAQYOLUBQKDT-LBPRGKRZSA-N 2 1 328.254 1.833 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1C ZINC000892780607 591173351 /nfs/dbraw/zinc/17/33/51/591173351.db2.gz SMIJMCKJRUIRCV-BZUAXINKSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000891673338 591180040 /nfs/dbraw/zinc/18/00/40/591180040.db2.gz KNQJEZDJMOSDHA-KYJSFNMBSA-N 2 1 330.476 1.728 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891673670 591180072 /nfs/dbraw/zinc/18/00/72/591180072.db2.gz QLWRRJQQSANEHV-JQWIXIFHSA-N 2 1 335.477 1.152 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892804606 591184399 /nfs/dbraw/zinc/18/43/99/591184399.db2.gz XHKLUDWEVFOGHX-JLSDUUJJSA-N 2 1 330.476 1.683 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891685493 591184667 /nfs/dbraw/zinc/18/46/67/591184667.db2.gz MBUYMUOFOZYCIJ-CVYDXHPNSA-N 2 1 336.480 1.214 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000891697583 591189031 /nfs/dbraw/zinc/18/90/31/591189031.db2.gz GXZHXRFMSKBPKI-CABCVRRESA-N 2 1 346.466 1.898 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000892817144 591190382 /nfs/dbraw/zinc/19/03/82/591190382.db2.gz AGPCDXOKQMZHQP-CABCVRRESA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000892817325 591192891 /nfs/dbraw/zinc/19/28/91/591192891.db2.gz BQTNRKJUPPPFCJ-XHSDSOJGSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000891727063 591200464 /nfs/dbraw/zinc/20/04/64/591200464.db2.gz DJRVRNQLGRDQKY-BZUAXINKSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1ccnc(N2CCCC2)c1 ZINC000891741762 591206719 /nfs/dbraw/zinc/20/67/19/591206719.db2.gz RZDMCQDAQWNTSS-OAHLLOKOSA-N 2 1 331.464 1.965 20 0 EDADMP CN(C(=O)N1CCc2sc(C[NH3+])nc2C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000892883249 591215746 /nfs/dbraw/zinc/21/57/46/591215746.db2.gz VDSYHJYSTSFJLW-LBPRGKRZSA-N 2 1 335.477 1.248 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000892883780 591216498 /nfs/dbraw/zinc/21/64/98/591216498.db2.gz GEQBPDARUURSSC-OAHLLOKOSA-N 2 1 340.512 1.611 20 0 EDADMP C[N@@H+](CCCNC(=O)C1C[NH+](C2CCOCC2)C1)C1CCCCC1 ZINC000895626730 591235026 /nfs/dbraw/zinc/23/50/26/591235026.db2.gz VNRDGHOQQVJDQV-UHFFFAOYSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000894232083 591238511 /nfs/dbraw/zinc/23/85/11/591238511.db2.gz BTGXNPJQJGPHCB-YSHGAJCASA-N 2 1 342.487 1.710 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894232083 591238514 /nfs/dbraw/zinc/23/85/14/591238514.db2.gz BTGXNPJQJGPHCB-YSHGAJCASA-N 2 1 342.487 1.710 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000894232083 591238517 /nfs/dbraw/zinc/23/85/17/591238517.db2.gz BTGXNPJQJGPHCB-YSHGAJCASA-N 2 1 342.487 1.710 20 0 EDADMP C[C@H](Cc1cccnc1)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000895666102 591246600 /nfs/dbraw/zinc/24/66/00/591246600.db2.gz KFTPMRMIPNUDNA-CVEARBPZSA-N 2 1 335.496 1.584 20 0 EDADMP C[C@H](Cc1cccnc1)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000895666102 591246601 /nfs/dbraw/zinc/24/66/01/591246601.db2.gz KFTPMRMIPNUDNA-CVEARBPZSA-N 2 1 335.496 1.584 20 0 EDADMP C[C@@H]1[C@@H](Nc2nc3ccccc3nc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000895737427 591265117 /nfs/dbraw/zinc/26/51/17/591265117.db2.gz UPPYKZZWMMUNAL-CABCVRRESA-N 2 1 340.475 1.886 20 0 EDADMP C[C@@H]1[C@@H](Nc2nc3ccccc3nc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000895737427 591265119 /nfs/dbraw/zinc/26/51/19/591265119.db2.gz UPPYKZZWMMUNAL-CABCVRRESA-N 2 1 340.475 1.886 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1nc(Br)nn1C ZINC000894287715 591267153 /nfs/dbraw/zinc/26/71/53/591267153.db2.gz KNBDHVLWNXVWSW-UHFFFAOYSA-N 2 1 327.230 1.653 20 0 EDADMP C[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)cc(C(F)(F)F)n1 ZINC000895772225 591269975 /nfs/dbraw/zinc/26/99/75/591269975.db2.gz YLYBMVCYCKZFPR-QWRGUYRKSA-N 2 1 344.385 1.727 20 0 EDADMP C[NH+]1CC[C@H]1CNc1cc(C(F)(F)F)nc(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895772225 591269976 /nfs/dbraw/zinc/26/99/76/591269976.db2.gz YLYBMVCYCKZFPR-QWRGUYRKSA-N 2 1 344.385 1.727 20 0 EDADMP C[NH+]1CC[C@H]1CNc1cc(C(F)(F)F)nc(NC[C@@H]2CC[N@H+]2C)n1 ZINC000895772225 591269978 /nfs/dbraw/zinc/26/99/78/591269978.db2.gz YLYBMVCYCKZFPR-QWRGUYRKSA-N 2 1 344.385 1.727 20 0 EDADMP COc1ccc(C[C@@H](CO)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1O ZINC000894472407 591319515 /nfs/dbraw/zinc/31/95/15/591319515.db2.gz LNJVPBHHSQRNMM-MGNMYUMUSA-N 2 1 334.460 1.767 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC[N@H+]3C(C)(C)C)CC2)c1 ZINC000896177973 591373174 /nfs/dbraw/zinc/37/31/74/591373174.db2.gz HGFHRNHCUJZVLC-OAHLLOKOSA-N 2 1 332.448 1.612 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000897437020 591427182 /nfs/dbraw/zinc/42/71/82/591427182.db2.gz FNXKKEYOTXAIBZ-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000898636561 591450840 /nfs/dbraw/zinc/45/08/40/591450840.db2.gz GACFUWKAVCMADV-SFHVURJKSA-N 2 1 335.492 1.763 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000897454117 591459565 /nfs/dbraw/zinc/45/95/65/591459565.db2.gz BCBMKALOXFDYCI-CVEARBPZSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000897454117 591459568 /nfs/dbraw/zinc/45/95/68/591459568.db2.gz BCBMKALOXFDYCI-CVEARBPZSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000897454117 591459571 /nfs/dbraw/zinc/45/95/71/591459571.db2.gz BCBMKALOXFDYCI-CVEARBPZSA-N 2 1 338.496 1.223 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000896422773 591462431 /nfs/dbraw/zinc/46/24/31/591462431.db2.gz XXPZGVDONLVTSB-GOSISDBHSA-N 2 1 337.508 1.678 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000894905212 591468021 /nfs/dbraw/zinc/46/80/21/591468021.db2.gz BYCGIMPVBNSAMM-ULQDDVLXSA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000894905212 591468023 /nfs/dbraw/zinc/46/80/23/591468023.db2.gz BYCGIMPVBNSAMM-ULQDDVLXSA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000894905212 591468024 /nfs/dbraw/zinc/46/80/24/591468024.db2.gz BYCGIMPVBNSAMM-ULQDDVLXSA-N 2 1 340.512 1.347 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc(N2CCCC2)[nH+]1 ZINC000894948707 591495512 /nfs/dbraw/zinc/49/55/12/591495512.db2.gz XMOOLWOKUQPTGH-IRXDYDNUSA-N 2 1 343.475 1.836 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc(N2CCCC2)[nH+]1 ZINC000894948707 591495517 /nfs/dbraw/zinc/49/55/17/591495517.db2.gz XMOOLWOKUQPTGH-IRXDYDNUSA-N 2 1 343.475 1.836 20 0 EDADMP C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000897498126 591501249 /nfs/dbraw/zinc/50/12/49/591501249.db2.gz JHUVEQQZRDGQDR-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000897498126 591501252 /nfs/dbraw/zinc/50/12/52/591501252.db2.gz JHUVEQQZRDGQDR-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000897498126 591501254 /nfs/dbraw/zinc/50/12/54/591501254.db2.gz JHUVEQQZRDGQDR-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000897498126 591501257 /nfs/dbraw/zinc/50/12/57/591501257.db2.gz JHUVEQQZRDGQDR-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CCO1 ZINC000897558534 591553887 /nfs/dbraw/zinc/55/38/87/591553887.db2.gz JEPIGCDCSWJIMI-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)C1C[NH+](C2CCOCC2)C1 ZINC000898986406 591626732 /nfs/dbraw/zinc/62/67/32/591626732.db2.gz CDZXWQCZYPLKFI-IBGZPJMESA-N 2 1 343.471 1.488 20 0 EDADMP COC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000896884814 591646832 /nfs/dbraw/zinc/64/68/32/591646832.db2.gz VNYUEUNZEPKJJJ-RTBURBONSA-N 2 1 345.487 1.906 20 0 EDADMP C[C@H]1CC2(CC([NH2+]Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)CO1 ZINC000897781061 591665532 /nfs/dbraw/zinc/66/55/32/591665532.db2.gz OBONGOZHLGQQDT-NXVRBGIVSA-N 2 1 331.464 1.276 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC000896959977 591691793 /nfs/dbraw/zinc/69/17/93/591691793.db2.gz RMMDBKSJVZVJNT-WMLDXEAASA-N 2 1 333.480 1.884 20 0 EDADMP C[N@@H+](CCCCNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO)C1CC1 ZINC000895282114 591699391 /nfs/dbraw/zinc/69/93/91/591699391.db2.gz MHBCKIAQSNAFNC-IRXDYDNUSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)C1CC1 ZINC000895282114 591699394 /nfs/dbraw/zinc/69/93/94/591699394.db2.gz MHBCKIAQSNAFNC-IRXDYDNUSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C1CC1 ZINC000895282114 591699396 /nfs/dbraw/zinc/69/93/96/591699396.db2.gz MHBCKIAQSNAFNC-IRXDYDNUSA-N 2 1 338.496 1.101 20 0 EDADMP C[N@H+]1C[C@@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@H](c2ccccc2)C1 ZINC000898088579 591772124 /nfs/dbraw/zinc/77/21/24/591772124.db2.gz PMUACBUAJDEARL-QRQLOZEOSA-N 2 1 343.471 1.169 20 0 EDADMP CC(C)(O)C[NH+]1CCC(NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000897229913 591779793 /nfs/dbraw/zinc/77/97/93/591779793.db2.gz YNWXJVVDGSHWRT-KRWDZBQOSA-N 2 1 325.497 1.065 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCN2C2CCOCC2)CC1 ZINC000897229913 591779795 /nfs/dbraw/zinc/77/97/95/591779795.db2.gz YNWXJVVDGSHWRT-KRWDZBQOSA-N 2 1 325.497 1.065 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898117399 591787650 /nfs/dbraw/zinc/78/76/50/591787650.db2.gz AXDQXPZZORAUHF-SFHVURJKSA-N 2 1 349.519 1.747 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604359 591816173 /nfs/dbraw/zinc/81/61/73/591816173.db2.gz APJWEQJFVIYYLI-QXSJWSMHSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+]1CCC[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604359 591816176 /nfs/dbraw/zinc/81/61/76/591816176.db2.gz APJWEQJFVIYYLI-QXSJWSMHSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCC[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604359 591816181 /nfs/dbraw/zinc/81/61/81/591816181.db2.gz APJWEQJFVIYYLI-QXSJWSMHSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCC[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604359 591816183 /nfs/dbraw/zinc/81/61/83/591816183.db2.gz APJWEQJFVIYYLI-QXSJWSMHSA-N 2 1 326.485 1.268 20 0 EDADMP CCC1([NH+]2CCC2)CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000899558261 591849517 /nfs/dbraw/zinc/84/95/17/591849517.db2.gz HTSUZSOFJYKUIP-HNNXBMFYSA-N 2 1 325.522 1.901 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000900013684 591872822 /nfs/dbraw/zinc/87/28/22/591872822.db2.gz OAIZEDCJICOIST-ICSRJNTNSA-N 2 1 345.487 1.787 20 0 EDADMP CC(C)[C@@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)[NH+]1CCC(C)CC1 ZINC000900190226 591934843 /nfs/dbraw/zinc/93/48/43/591934843.db2.gz DETZYTXUGFMMIA-IEBWSBKVSA-N 2 1 339.524 1.706 20 0 EDADMP CC(C)[C@]12C[C@H]1C(=O)N(C[N@H+]1CC[C@@H](C3CC[NH+](C)CC3)C1)C2=O ZINC000902200520 591943937 /nfs/dbraw/zinc/94/39/37/591943937.db2.gz FHLZNWAPBGOAEO-JTDSTZFVSA-N 2 1 333.476 1.639 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900245018 591953297 /nfs/dbraw/zinc/95/32/97/591953297.db2.gz GBFANGVTIHFDPS-QUCCMNQESA-N 2 1 345.487 1.531 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@H+]1CCC12CC[NH+](C)CC2 ZINC000899911379 591979716 /nfs/dbraw/zinc/97/97/16/591979716.db2.gz SXIZAPQWIQQWJI-QGZVFWFLSA-N 2 1 334.460 1.743 20 0 EDADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CN1C[C@@]2(CCCOC2)C1=O ZINC000902359638 591986397 /nfs/dbraw/zinc/98/63/97/591986397.db2.gz FOFCRTXNGBNVTG-LJQANCHMSA-N 2 1 337.508 1.883 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900338745 591989081 /nfs/dbraw/zinc/98/90/81/591989081.db2.gz GPCRQRFPPZOQOZ-HNNXBMFYSA-N 2 1 335.496 1.685 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902498172 592002651 /nfs/dbraw/zinc/00/26/51/592002651.db2.gz CLDSEZFZXNPWDJ-VNDHCKRVSA-N 2 1 331.460 1.584 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccn2nccc2n1 ZINC000900480137 592030209 /nfs/dbraw/zinc/03/02/09/592030209.db2.gz CNMGSBSESATWMN-OAHLLOKOSA-N 2 1 344.463 1.217 20 0 EDADMP CCO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000902796650 592064806 /nfs/dbraw/zinc/06/48/06/592064806.db2.gz PXUATRHRBHCRPS-SJORKVTESA-N 2 1 325.497 1.866 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000900601257 592065840 /nfs/dbraw/zinc/06/58/40/592065840.db2.gz LQTGBQNBWQNDJT-UHFFFAOYSA-N 2 1 344.459 1.820 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC000900622086 592074170 /nfs/dbraw/zinc/07/41/70/592074170.db2.gz AWGJBCIUIJCKDQ-MRXNPFEDSA-N 2 1 330.432 1.741 20 0 EDADMP C(CN1CCOCC1)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903098513 592120248 /nfs/dbraw/zinc/12/02/48/592120248.db2.gz PUWRXNWHGUPFAS-FQVATPOOSA-N 2 1 348.535 1.140 20 0 EDADMP C(C[N@@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1)N1CCOCC1 ZINC000903098513 592120251 /nfs/dbraw/zinc/12/02/51/592120251.db2.gz PUWRXNWHGUPFAS-FQVATPOOSA-N 2 1 348.535 1.140 20 0 EDADMP C(C[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1)N1CCOCC1 ZINC000903098513 592120252 /nfs/dbraw/zinc/12/02/52/592120252.db2.gz PUWRXNWHGUPFAS-FQVATPOOSA-N 2 1 348.535 1.140 20 0 EDADMP C(C[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1)N1CCOCC1 ZINC000903098513 592120254 /nfs/dbraw/zinc/12/02/54/592120254.db2.gz PUWRXNWHGUPFAS-FQVATPOOSA-N 2 1 348.535 1.140 20 0 EDADMP C(C[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1)N1CCOCC1 ZINC000903098513 592120256 /nfs/dbraw/zinc/12/02/56/592120256.db2.gz PUWRXNWHGUPFAS-FQVATPOOSA-N 2 1 348.535 1.140 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900871020 592151934 /nfs/dbraw/zinc/15/19/34/592151934.db2.gz WOLOQZSZZAGKAJ-ICSRJNTNSA-N 2 1 345.487 1.566 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900871020 592151936 /nfs/dbraw/zinc/15/19/36/592151936.db2.gz WOLOQZSZZAGKAJ-ICSRJNTNSA-N 2 1 345.487 1.566 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900871020 592151938 /nfs/dbraw/zinc/15/19/38/592151938.db2.gz WOLOQZSZZAGKAJ-ICSRJNTNSA-N 2 1 345.487 1.566 20 0 EDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000903433939 592169645 /nfs/dbraw/zinc/16/96/45/592169645.db2.gz HBLCAILJWHLOHL-GFPRJFBKSA-N 2 1 337.855 1.344 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903422595 592170541 /nfs/dbraw/zinc/17/05/41/592170541.db2.gz FBELPZWGPBTUEM-ARFHVFGLSA-N 2 1 337.414 1.822 20 0 EDADMP CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499677 592179681 /nfs/dbraw/zinc/17/96/81/592179681.db2.gz LPGYAGVNYLCGJG-VXGBXAGGSA-N 2 1 339.461 1.780 20 0 EDADMP CCOC(=O)c1ccsc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499677 592179682 /nfs/dbraw/zinc/17/96/82/592179682.db2.gz LPGYAGVNYLCGJG-VXGBXAGGSA-N 2 1 339.461 1.780 20 0 EDADMP C[C@H](C(=O)N1CCCCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510910 592190511 /nfs/dbraw/zinc/19/05/11/592190511.db2.gz UHGDSUWMEQQYHE-QRQLOZEOSA-N 2 1 348.535 1.678 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@@H]1C ZINC000906665445 592246889 /nfs/dbraw/zinc/24/68/89/592246889.db2.gz WBMVMYDUXJGYPZ-UONOGXRCSA-N 2 1 346.475 1.760 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@@H]1C ZINC000906665445 592246892 /nfs/dbraw/zinc/24/68/92/592246892.db2.gz WBMVMYDUXJGYPZ-UONOGXRCSA-N 2 1 346.475 1.760 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000901151747 592263393 /nfs/dbraw/zinc/26/33/93/592263393.db2.gz JXORLMAENAUAGN-MRXNPFEDSA-N 2 1 335.496 1.543 20 0 EDADMP CC1CC[NH+](C2CCC(NC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)CC2)CC1 ZINC000901187548 592269428 /nfs/dbraw/zinc/26/94/28/592269428.db2.gz RWYBVYKLLLUDDJ-AKSNENBUSA-N 2 1 337.508 1.601 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000906703328 592275967 /nfs/dbraw/zinc/27/59/67/592275967.db2.gz OQNBLVBABKRVNS-IBGZPJMESA-N 2 1 344.503 1.261 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000906703328 592275972 /nfs/dbraw/zinc/27/59/72/592275972.db2.gz OQNBLVBABKRVNS-IBGZPJMESA-N 2 1 344.503 1.261 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000906703328 592275977 /nfs/dbraw/zinc/27/59/77/592275977.db2.gz OQNBLVBABKRVNS-IBGZPJMESA-N 2 1 344.503 1.261 20 0 EDADMP C[N@@H+](C[C@H](O)COCc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725616 592285318 /nfs/dbraw/zinc/28/53/18/592285318.db2.gz DSGMWGOMUNUUJP-OALUTQOASA-N 2 1 348.487 1.655 20 0 EDADMP C[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCN(c2ccccc2)C1=O ZINC000903730766 592287017 /nfs/dbraw/zinc/28/70/17/592287017.db2.gz YZCTZYRZDXTHIS-QZTJIDSGSA-N 2 1 343.471 1.882 20 0 EDADMP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCN(c2ccccc2)C1=O ZINC000903730766 592287018 /nfs/dbraw/zinc/28/70/18/592287018.db2.gz YZCTZYRZDXTHIS-QZTJIDSGSA-N 2 1 343.471 1.882 20 0 EDADMP c1ccc(N(CC[NH+]2CCOCC2)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903731985 592288224 /nfs/dbraw/zinc/28/82/24/592288224.db2.gz BMRCNKJQCVWAAU-UXHICEINSA-N 2 1 345.487 1.594 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000906721032 592289793 /nfs/dbraw/zinc/28/97/93/592289793.db2.gz HYZMMALRFRCUOR-UHFFFAOYSA-N 2 1 332.448 1.193 20 0 EDADMP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC000903712031 592290496 /nfs/dbraw/zinc/29/04/96/592290496.db2.gz BUOXKTRPEZTSEM-CHWSQXEVSA-N 2 1 340.411 1.428 20 0 EDADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906692066 592291853 /nfs/dbraw/zinc/29/18/53/592291853.db2.gz WTALCSYRMDNIMH-OAHLLOKOSA-N 2 1 332.448 1.273 20 0 EDADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906692066 592291859 /nfs/dbraw/zinc/29/18/59/592291859.db2.gz WTALCSYRMDNIMH-OAHLLOKOSA-N 2 1 332.448 1.273 20 0 EDADMP c1csc(C[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000903745506 592292272 /nfs/dbraw/zinc/29/22/72/592292272.db2.gz JDFLMUUYTMFIJY-QXSJWSMHSA-N 2 1 349.500 1.891 20 0 EDADMP c1csc(C[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000903745506 592292276 /nfs/dbraw/zinc/29/22/76/592292276.db2.gz JDFLMUUYTMFIJY-QXSJWSMHSA-N 2 1 349.500 1.891 20 0 EDADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000903740147 592301242 /nfs/dbraw/zinc/30/12/42/592301242.db2.gz SEFWTWSBMCAXFN-JKSUJKDBSA-N 2 1 345.491 1.562 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)N(CC[NH2+]C)C(C)C)C1 ZINC000903812852 592331500 /nfs/dbraw/zinc/33/15/00/592331500.db2.gz QXITXGFOFJCBAG-OAHLLOKOSA-N 2 1 349.479 1.065 20 0 EDADMP C([C@@H]1CCC2(CCOCC2)CO1)[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819303 592332409 /nfs/dbraw/zinc/33/24/09/592332409.db2.gz FTUHOOWDBRETKF-KRWDZBQOSA-N 2 1 338.492 1.807 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[NH2+]CCC23CCOCC3)CC1 ZINC000903818242 592341325 /nfs/dbraw/zinc/34/13/25/592341325.db2.gz CUZQIRCHXDEXPE-UHFFFAOYSA-N 3 1 338.540 1.247 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCNCCC23CCOCC3)CC1 ZINC000903818242 592341328 /nfs/dbraw/zinc/34/13/28/592341328.db2.gz CUZQIRCHXDEXPE-UHFFFAOYSA-N 2 1 338.540 1.247 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCNCCC23CCOCC3)CC1 ZINC000903818242 592341331 /nfs/dbraw/zinc/34/13/31/592341331.db2.gz CUZQIRCHXDEXPE-UHFFFAOYSA-N 2 1 338.540 1.247 20 0 EDADMP CCn1cc(C2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000903888563 592351466 /nfs/dbraw/zinc/35/14/66/592351466.db2.gz GBKKNZQKMCSQFY-KRWDZBQOSA-N 2 1 343.479 1.799 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](CCC(N)=O)Cc2ccccc2)cnn1C ZINC000903878922 592360136 /nfs/dbraw/zinc/36/01/36/592360136.db2.gz NJHIARCNMSRGRJ-QGZVFWFLSA-N 2 1 343.475 1.224 20 0 EDADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908182455 592363835 /nfs/dbraw/zinc/36/38/35/592363835.db2.gz JKPSGQIBMOYDKA-SFHVURJKSA-N 2 1 337.464 1.407 20 0 EDADMP COc1ccccc1CC[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903892890 592365607 /nfs/dbraw/zinc/36/56/07/592365607.db2.gz XPGNIYCWEQXOSV-MRXNPFEDSA-N 2 1 329.448 1.886 20 0 EDADMP COc1ccccc1CC[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903892890 592365609 /nfs/dbraw/zinc/36/56/09/592365609.db2.gz XPGNIYCWEQXOSV-MRXNPFEDSA-N 2 1 329.448 1.886 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000903902569 592371488 /nfs/dbraw/zinc/37/14/88/592371488.db2.gz JTYQGUSQMLJKTP-HOTGVXAUSA-N 2 1 349.479 1.220 20 0 EDADMP COCCC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCS(=O)(=O)C1 ZINC000903905740 592373145 /nfs/dbraw/zinc/37/31/45/592373145.db2.gz MYPXRJMCNZNAEW-UYTSQGDYSA-N 2 1 330.494 1.043 20 0 EDADMP c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000903920680 592377625 /nfs/dbraw/zinc/37/76/25/592377625.db2.gz KTHWQYNZRHIVGP-MRXNPFEDSA-N 3 1 329.488 1.923 20 0 EDADMP C[C@@H](CCNC(=O)C1CN(C)CC[N@@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000906877780 592379892 /nfs/dbraw/zinc/37/98/92/592379892.db2.gz BPZPLSXYDNBPED-KRWDZBQOSA-N 2 1 346.519 1.507 20 0 EDADMP C[C@@H](CCNC(=O)C1CN(C)CC[NH+](C)C1)[N@H+](C)Cc1ccccc1 ZINC000906877780 592379898 /nfs/dbraw/zinc/37/98/98/592379898.db2.gz BPZPLSXYDNBPED-KRWDZBQOSA-N 2 1 346.519 1.507 20 0 EDADMP C[C@@H](CCNC(=O)C1CN(C)CC[NH+](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000906877780 592379900 /nfs/dbraw/zinc/37/99/00/592379900.db2.gz BPZPLSXYDNBPED-KRWDZBQOSA-N 2 1 346.519 1.507 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903931828 592383860 /nfs/dbraw/zinc/38/38/60/592383860.db2.gz JAIHPBJJWNWYHD-AHCXZYCDSA-N 3 1 348.495 1.063 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903931828 592383863 /nfs/dbraw/zinc/38/38/63/592383863.db2.gz JAIHPBJJWNWYHD-AHCXZYCDSA-N 2 1 348.495 1.063 20 0 EDADMP O[C@H](CCC1(O)CCC1)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000905024929 592385068 /nfs/dbraw/zinc/38/50/68/592385068.db2.gz KOBASPJCJVLLMC-LJQANCHMSA-N 2 1 348.487 1.665 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cnn1C ZINC000903937997 592387528 /nfs/dbraw/zinc/38/75/28/592387528.db2.gz XEFVALILSMJUSB-WBVHZDCISA-N 3 1 342.491 1.452 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cnn1C ZINC000903937997 592387536 /nfs/dbraw/zinc/38/75/36/592387536.db2.gz XEFVALILSMJUSB-WBVHZDCISA-N 3 1 342.491 1.452 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C/C=C\c1ccccc1OC)C2 ZINC000903978744 592400086 /nfs/dbraw/zinc/40/00/86/592400086.db2.gz LOJNDRZRNXWVNZ-WMXZZFSLSA-N 2 1 330.428 1.921 20 0 EDADMP O=C(NCC[NH+]1CCCCC1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000905151072 592440432 /nfs/dbraw/zinc/44/04/32/592440432.db2.gz QLWFWJOPNBNMHQ-GJZGRUSLSA-N 2 1 326.510 1.351 20 0 EDADMP CC(C)(C(=O)NCCCC[N@H+]1CCC[C@H]1CO)[NH+]1CCCCC1 ZINC000907069756 592505178 /nfs/dbraw/zinc/50/51/78/592505178.db2.gz ZRFHPURNUWTPND-INIZCTEOSA-N 2 1 325.497 1.604 20 0 EDADMP O[C@H](CC[C@H](O)c1ccccc1)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000905384354 592513831 /nfs/dbraw/zinc/51/38/31/592513831.db2.gz VUDPJNAZCDDOQK-ZCNNSNEGSA-N 2 1 348.487 1.704 20 0 EDADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000908539872 592530067 /nfs/dbraw/zinc/53/00/67/592530067.db2.gz DHFAXWSPLNENTK-QGZVFWFLSA-N 2 1 344.459 1.867 20 0 EDADMP C[C@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000907285856 592584590 /nfs/dbraw/zinc/58/45/90/592584590.db2.gz OUGICXJNDSAHFZ-HOTGVXAUSA-N 2 1 347.507 1.828 20 0 EDADMP CCOc1cc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)nc(C)n1 ZINC000905702860 592616382 /nfs/dbraw/zinc/61/63/82/592616382.db2.gz YYTBFVOFYCSTRS-IYBDPMFKSA-N 2 1 331.464 1.589 20 0 EDADMP [NH3+]C1CC[NH+](CCNc2cc(OCc3ccccc3)ncn2)CC1 ZINC000905704479 592616911 /nfs/dbraw/zinc/61/69/11/592616911.db2.gz BMQLLSBRAUVEJK-UHFFFAOYSA-N 2 1 327.432 1.891 20 0 EDADMP CN1CC[NH+](CCC(C)(C)NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000907456719 592664758 /nfs/dbraw/zinc/66/47/58/592664758.db2.gz OGJMGJSGGDQTPI-SJORKVTESA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000907456719 592664760 /nfs/dbraw/zinc/66/47/60/592664760.db2.gz OGJMGJSGGDQTPI-SJORKVTESA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000907456719 592664764 /nfs/dbraw/zinc/66/47/64/592664764.db2.gz OGJMGJSGGDQTPI-SJORKVTESA-N 2 1 336.524 1.536 20 0 EDADMP CC[C@](O)(C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)C(F)(F)F ZINC000905934188 592688053 /nfs/dbraw/zinc/68/80/53/592688053.db2.gz RKQMKGBIIUEFKC-OCCSQVGLSA-N 2 1 326.403 1.714 20 0 EDADMP O=C(NCc1ccccc1)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000909035464 592709948 /nfs/dbraw/zinc/70/99/48/592709948.db2.gz QNHXHDXGWVWYMG-LJQANCHMSA-N 2 1 345.487 1.472 20 0 EDADMP Cc1cc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)ccc1OCC[NH+](C)C ZINC000909920513 592713603 /nfs/dbraw/zinc/71/36/03/592713603.db2.gz MSNRUBUOSFBPRC-CRAIPNDOSA-N 2 1 335.448 1.329 20 0 EDADMP Cc1cc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)ccc1OCC[NH+](C)C ZINC000909920513 592713607 /nfs/dbraw/zinc/71/36/07/592713607.db2.gz MSNRUBUOSFBPRC-CRAIPNDOSA-N 2 1 335.448 1.329 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218838 592760550 /nfs/dbraw/zinc/76/05/50/592760550.db2.gz OEFLGSUESWOKTK-HZPDHXFCSA-N 2 1 331.464 1.047 20 0 EDADMP CCCn1ccnc1CCCN(C)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000907740445 592766652 /nfs/dbraw/zinc/76/66/52/592766652.db2.gz KLAXGGRBMGBUJB-GOSISDBHSA-N 2 1 336.480 1.531 20 0 EDADMP CC[N@H+]1CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)[C@H](C)C1 ZINC000910269585 592814900 /nfs/dbraw/zinc/81/49/00/592814900.db2.gz KOYAPVGEZNMGFF-WWDZGPRUSA-N 2 1 337.508 1.820 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCC([NH+]2CCCOCC2)CC1 ZINC000910366811 592845311 /nfs/dbraw/zinc/84/53/11/592845311.db2.gz UHOCCTHORDDLII-QZTJIDSGSA-N 2 1 335.492 1.717 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[NH+]21)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000910366811 592845313 /nfs/dbraw/zinc/84/53/13/592845313.db2.gz UHOCCTHORDDLII-QZTJIDSGSA-N 2 1 335.492 1.717 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[NH+]21)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000910366811 592845314 /nfs/dbraw/zinc/84/53/14/592845314.db2.gz UHOCCTHORDDLII-QZTJIDSGSA-N 2 1 335.492 1.717 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000734270576 592959603 /nfs/dbraw/zinc/95/96/03/592959603.db2.gz XSYQYUQENWGUQP-HNNXBMFYSA-N 2 1 340.431 1.612 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000734270576 592959606 /nfs/dbraw/zinc/95/96/06/592959606.db2.gz XSYQYUQENWGUQP-HNNXBMFYSA-N 2 1 340.431 1.612 20 0 EDADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911625451 592968032 /nfs/dbraw/zinc/96/80/32/592968032.db2.gz WRZNPCYJUJWLAF-MFKMUULPSA-N 2 1 342.237 1.407 20 0 EDADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000911656356 592978499 /nfs/dbraw/zinc/97/84/99/592978499.db2.gz NQPQQBHNLGZGFF-ZDUSSCGKSA-N 2 1 342.237 1.279 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911836486 593020103 /nfs/dbraw/zinc/02/01/03/593020103.db2.gz ZEVCRZCHHKAXFM-WCQYABFASA-N 2 1 342.237 1.311 20 0 EDADMP O[C@@H](C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000838847594 593224017 /nfs/dbraw/zinc/22/40/17/593224017.db2.gz MZUHZBNRXCAUFI-PMACEKPBSA-N 2 1 329.488 1.649 20 0 EDADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000838939128 593242211 /nfs/dbraw/zinc/24/22/11/593242211.db2.gz YBXUYXPKPQAAOC-HUUCEWRRSA-N 2 1 339.480 1.744 20 0 EDADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000838939128 593242213 /nfs/dbraw/zinc/24/22/13/593242213.db2.gz YBXUYXPKPQAAOC-HUUCEWRRSA-N 2 1 339.480 1.744 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH+](C)C ZINC000810755595 593427513 /nfs/dbraw/zinc/42/75/13/593427513.db2.gz XNUGKNKKDOFHGH-XJKCOSOUSA-N 2 1 331.501 1.703 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)C[C@@H]2C1 ZINC000812344056 593499493 /nfs/dbraw/zinc/49/94/93/593499493.db2.gz SHYBZBZKSASHNJ-CEXWTWQISA-N 2 1 343.471 1.298 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)C[C@@H]2C1 ZINC000812344056 593499494 /nfs/dbraw/zinc/49/94/94/593499494.db2.gz SHYBZBZKSASHNJ-CEXWTWQISA-N 2 1 343.471 1.298 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@@H]2C1 ZINC000812344056 593499495 /nfs/dbraw/zinc/49/94/95/593499495.db2.gz SHYBZBZKSASHNJ-CEXWTWQISA-N 2 1 343.471 1.298 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@@H]2C1 ZINC000812344056 593499496 /nfs/dbraw/zinc/49/94/96/593499496.db2.gz SHYBZBZKSASHNJ-CEXWTWQISA-N 2 1 343.471 1.298 20 0 EDADMP C[NH+](C)C1CC(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000819679708 593762929 /nfs/dbraw/zinc/76/29/29/593762929.db2.gz FOUUQYYNCDBKIP-UHFFFAOYSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](CO)CC1 ZINC000820086498 593789608 /nfs/dbraw/zinc/78/96/08/593789608.db2.gz GEFMYGQUDZPJJF-HOTGVXAUSA-N 2 1 328.501 1.062 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](CO)CC1 ZINC000820086498 593789609 /nfs/dbraw/zinc/78/96/09/593789609.db2.gz GEFMYGQUDZPJJF-HOTGVXAUSA-N 2 1 328.501 1.062 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000821500970 593847841 /nfs/dbraw/zinc/84/78/41/593847841.db2.gz IUFXLUDLKSNEOI-INIZCTEOSA-N 2 1 348.495 1.688 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821624958 593885487 /nfs/dbraw/zinc/88/54/87/593885487.db2.gz BHAHLOXUAYJTIB-GOEBONIOSA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821624958 593885489 /nfs/dbraw/zinc/88/54/89/593885489.db2.gz BHAHLOXUAYJTIB-GOEBONIOSA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821624958 593885491 /nfs/dbraw/zinc/88/54/91/593885491.db2.gz BHAHLOXUAYJTIB-GOEBONIOSA-N 2 1 342.447 1.662 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000827533737 594226441 /nfs/dbraw/zinc/22/64/41/594226441.db2.gz JPWGRYOCTQWHPX-CVEARBPZSA-N 2 1 330.432 1.202 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000827533737 594226443 /nfs/dbraw/zinc/22/64/43/594226443.db2.gz JPWGRYOCTQWHPX-CVEARBPZSA-N 2 1 330.432 1.202 20 0 EDADMP CC1(C)[C@H](O)CC[N@H+]1Cc1cncc(C[NH+]2CC[C@H](O)C2(C)C)c1 ZINC000829973433 594304666 /nfs/dbraw/zinc/30/46/66/594304666.db2.gz FEETXIFGHYMOFB-CALCHBBNSA-N 2 1 333.476 1.772 20 0 EDADMP CC1(C)[C@H](O)CC[NH+]1Cc1cncc(C[N@@H+]2CC[C@H](O)C2(C)C)c1 ZINC000829973433 594304669 /nfs/dbraw/zinc/30/46/69/594304669.db2.gz FEETXIFGHYMOFB-CALCHBBNSA-N 2 1 333.476 1.772 20 0 EDADMP CC1(C)[C@H](O)CC[NH+]1Cc1cncc(C[N@H+]2CC[C@H](O)C2(C)C)c1 ZINC000829973433 594304672 /nfs/dbraw/zinc/30/46/72/594304672.db2.gz FEETXIFGHYMOFB-CALCHBBNSA-N 2 1 333.476 1.772 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000827498004 594677597 /nfs/dbraw/zinc/67/75/97/594677597.db2.gz AADRAXBQZKRSRE-KRWDZBQOSA-N 2 1 344.459 1.069 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NCc2cccnc2-n2cc[nH+]c2C)C1 ZINC000841726141 594944044 /nfs/dbraw/zinc/94/40/44/594944044.db2.gz GPYNJGUFDPGZBN-OAHLLOKOSA-N 2 1 328.420 1.469 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000841726760 594944166 /nfs/dbraw/zinc/94/41/66/594944166.db2.gz LRTXJKODEFZYCS-CJNGLKHVSA-N 2 1 342.447 1.702 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCCCCC[NH3+])[C@H]1c1ccccc1 ZINC000843258727 595055403 /nfs/dbraw/zinc/05/54/03/595055403.db2.gz FBONCBOXKWSEKY-DLBZAZTESA-N 2 1 346.475 1.183 20 0 EDADMP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843362557 595087729 /nfs/dbraw/zinc/08/77/29/595087729.db2.gz KFGHSINSWOIWSQ-BZUAXINKSA-N 2 1 346.475 1.519 20 0 EDADMP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843362557 595087733 /nfs/dbraw/zinc/08/77/33/595087733.db2.gz KFGHSINSWOIWSQ-BZUAXINKSA-N 2 1 346.475 1.519 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843378356 595094313 /nfs/dbraw/zinc/09/43/13/595094313.db2.gz RLUGKGDVZGOHPH-RYUDHWBXSA-N 2 1 331.420 1.656 20 0 EDADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000834564478 595163574 /nfs/dbraw/zinc/16/35/74/595163574.db2.gz LBZYLQAELLQKGE-IAGOWNOFSA-N 2 1 329.460 1.114 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCCCCCC[NH+](C)C ZINC000837883706 595219405 /nfs/dbraw/zinc/21/94/05/595219405.db2.gz HBYJBNAZVZQXGL-INIZCTEOSA-N 2 1 328.501 1.207 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCCCCCC[NH+](C)C ZINC000837883706 595219407 /nfs/dbraw/zinc/21/94/07/595219407.db2.gz HBYJBNAZVZQXGL-INIZCTEOSA-N 2 1 328.501 1.207 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000843073424 595281370 /nfs/dbraw/zinc/28/13/70/595281370.db2.gz PMPKJTVNIVJZQI-WMLDXEAASA-N 2 1 328.403 1.825 20 0 EDADMP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000844168022 595289433 /nfs/dbraw/zinc/28/94/33/595289433.db2.gz XWDWHJLDSADJIW-GOSISDBHSA-N 2 1 331.460 1.142 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H]3CCC(=O)NC3=O)C2)s1 ZINC000844327359 595325570 /nfs/dbraw/zinc/32/55/70/595325570.db2.gz QCJMSGXOLIXNCY-ZFWWWQNUSA-N 2 1 335.473 1.615 20 0 EDADMP COCC[N@H+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000848244994 595346022 /nfs/dbraw/zinc/34/60/22/595346022.db2.gz HJFFRSLSMWVOKH-UHFFFAOYSA-N 2 1 347.503 1.974 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000849065094 595476908 /nfs/dbraw/zinc/47/69/08/595476908.db2.gz OPDFKMZHBCNETF-GOEBONIOSA-N 2 1 349.454 1.068 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000849104848 595482577 /nfs/dbraw/zinc/48/25/77/595482577.db2.gz ZCGHYFPPGGNNRK-LMMKCTJWSA-N 2 1 348.466 1.890 20 0 EDADMP [NH2+]=C(NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)N1CCC1 ZINC000849110738 595483717 /nfs/dbraw/zinc/48/37/17/595483717.db2.gz MHNCQNZGFPUAON-UHFFFAOYSA-N 2 1 345.447 1.077 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C1(O)CCOCC1 ZINC000849118059 595484851 /nfs/dbraw/zinc/48/48/51/595484851.db2.gz IFVIXKYIAZWIRY-CQSZACIVSA-N 2 1 326.485 1.152 20 0 EDADMP CCn1cc(NC(=S)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000849275173 595499671 /nfs/dbraw/zinc/49/96/71/595499671.db2.gz JWRKMFWLQLSRJE-ZDUSSCGKSA-N 2 1 326.514 1.461 20 0 EDADMP CCn1cc(NC(=S)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000849275173 595499675 /nfs/dbraw/zinc/49/96/75/595499675.db2.gz JWRKMFWLQLSRJE-ZDUSSCGKSA-N 2 1 326.514 1.461 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NCCC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849480959 595546825 /nfs/dbraw/zinc/54/68/25/595546825.db2.gz IKDZCTJVROGNAX-DLBZAZTESA-N 2 1 335.496 1.302 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC[NH+](C)C2CCCC2)cn1 ZINC000849522714 595557965 /nfs/dbraw/zinc/55/79/65/595557965.db2.gz NOVAIATUDBNLIJ-MSOLQXFVSA-N 2 1 347.507 1.446 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@H]2C(=O)NCC[N@H+](C)C2CCCC2)cn1 ZINC000849522714 595557968 /nfs/dbraw/zinc/55/79/68/595557968.db2.gz NOVAIATUDBNLIJ-MSOLQXFVSA-N 2 1 347.507 1.446 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@H]2C(=O)NCC[N@@H+](C)C2CCCC2)cn1 ZINC000849522714 595557971 /nfs/dbraw/zinc/55/79/71/595557971.db2.gz NOVAIATUDBNLIJ-MSOLQXFVSA-N 2 1 347.507 1.446 20 0 EDADMP CC(C)(CNC(=O)C1=NO[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000852858504 595580162 /nfs/dbraw/zinc/58/01/62/595580162.db2.gz FGHKGAPTMHASMZ-OAHLLOKOSA-N 2 1 330.432 1.043 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C=C3CC[NH2+]CC3)c2)CCO1 ZINC000852862983 595584187 /nfs/dbraw/zinc/58/41/87/595584187.db2.gz OHAZWZMWPBQJNW-MRXNPFEDSA-N 2 1 343.471 1.833 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C=C3CC[NH2+]CC3)c2)CCO1 ZINC000852862983 595584189 /nfs/dbraw/zinc/58/41/89/595584189.db2.gz OHAZWZMWPBQJNW-MRXNPFEDSA-N 2 1 343.471 1.833 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849597101 595586601 /nfs/dbraw/zinc/58/66/01/595586601.db2.gz RAGDADVKLSHTQP-PVAVHDDUSA-N 2 1 335.496 1.300 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849597101 595586605 /nfs/dbraw/zinc/58/66/05/595586605.db2.gz RAGDADVKLSHTQP-PVAVHDDUSA-N 2 1 335.496 1.300 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849597101 595586607 /nfs/dbraw/zinc/58/66/07/595586607.db2.gz RAGDADVKLSHTQP-PVAVHDDUSA-N 2 1 335.496 1.300 20 0 EDADMP C[NH+](C)CCCNC(=S)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000853029231 595645505 /nfs/dbraw/zinc/64/55/05/595645505.db2.gz KJSQGXDCFQAPEQ-HUUCEWRRSA-N 2 1 340.537 1.046 20 0 EDADMP CCC[N@H+](C)CC(C)(C)NC(=S)NCCC[NH+]1CCOCC1 ZINC000853044396 595648426 /nfs/dbraw/zinc/64/84/26/595648426.db2.gz JEWZVASLPPMDKH-UHFFFAOYSA-N 2 1 330.542 1.293 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=S)NCCC[NH+]1CCOCC1 ZINC000853044396 595648429 /nfs/dbraw/zinc/64/84/29/595648429.db2.gz JEWZVASLPPMDKH-UHFFFAOYSA-N 2 1 330.542 1.293 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000851865309 595954137 /nfs/dbraw/zinc/95/41/37/595954137.db2.gz UAEYVBOZOWHNMW-JYJNAYRXSA-N 2 1 343.512 1.923 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000851865309 595954138 /nfs/dbraw/zinc/95/41/38/595954138.db2.gz UAEYVBOZOWHNMW-JYJNAYRXSA-N 2 1 343.512 1.923 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000851865309 595954139 /nfs/dbraw/zinc/95/41/39/595954139.db2.gz UAEYVBOZOWHNMW-JYJNAYRXSA-N 2 1 343.512 1.923 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000851865309 595954141 /nfs/dbraw/zinc/95/41/41/595954141.db2.gz UAEYVBOZOWHNMW-JYJNAYRXSA-N 2 1 343.512 1.923 20 0 EDADMP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000851951897 595983954 /nfs/dbraw/zinc/98/39/54/595983954.db2.gz GVBQHRHUVFIQDW-OWCLPIDISA-N 2 1 329.485 1.534 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccnn3C)C2)ccn1 ZINC000856555476 596017650 /nfs/dbraw/zinc/01/76/50/596017650.db2.gz PNVJBYRKLWOFAA-SFHVURJKSA-N 2 1 329.448 1.920 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccnn3C)C2)ccn1 ZINC000856555476 596017654 /nfs/dbraw/zinc/01/76/54/596017654.db2.gz PNVJBYRKLWOFAA-SFHVURJKSA-N 2 1 329.448 1.920 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccnn3C)C2)ccn1 ZINC000856555476 596017656 /nfs/dbraw/zinc/01/76/56/596017656.db2.gz PNVJBYRKLWOFAA-SFHVURJKSA-N 2 1 329.448 1.920 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccnn3C)C2)ccn1 ZINC000856555476 596017660 /nfs/dbraw/zinc/01/76/60/596017660.db2.gz PNVJBYRKLWOFAA-SFHVURJKSA-N 2 1 329.448 1.920 20 0 EDADMP CCCNC(=O)OC[C@H]1CCCCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000852047848 596022485 /nfs/dbraw/zinc/02/24/85/596022485.db2.gz IXJSOYKPLCEMKJ-HZPDHXFCSA-N 2 1 329.485 1.678 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[S@](C)=O)C2)ccn1 ZINC000856603765 596032069 /nfs/dbraw/zinc/03/20/69/596032069.db2.gz FPMBCHKADOAASA-SBUREZEXSA-N 2 1 339.505 1.753 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC[S@](C)=O)C2)ccn1 ZINC000856603765 596032073 /nfs/dbraw/zinc/03/20/73/596032073.db2.gz FPMBCHKADOAASA-SBUREZEXSA-N 2 1 339.505 1.753 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC[S@](C)=O)C2)ccn1 ZINC000856603765 596032077 /nfs/dbraw/zinc/03/20/77/596032077.db2.gz FPMBCHKADOAASA-SBUREZEXSA-N 2 1 339.505 1.753 20 0 EDADMP CC[C@H](NC(=O)N(C)C[C@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000861611861 596046458 /nfs/dbraw/zinc/04/64/58/596046458.db2.gz ZSJZISFEDDQMJM-RYQLBKOJSA-N 2 1 348.491 1.655 20 0 EDADMP CC[C@H](NC(=O)N(C)C[C@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000861611861 596046461 /nfs/dbraw/zinc/04/64/61/596046461.db2.gz ZSJZISFEDDQMJM-RYQLBKOJSA-N 2 1 348.491 1.655 20 0 EDADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866707512 596302024 /nfs/dbraw/zinc/30/20/24/596302024.db2.gz IKMROANFZWWSTE-JQHSSLGASA-N 2 1 345.443 1.549 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000866709508 596303180 /nfs/dbraw/zinc/30/31/80/596303180.db2.gz RPWBYSMZSCRRRG-CFVMTHIKSA-N 2 1 339.798 1.846 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000866709508 596303183 /nfs/dbraw/zinc/30/31/83/596303183.db2.gz RPWBYSMZSCRRRG-CFVMTHIKSA-N 2 1 339.798 1.846 20 0 EDADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)n1 ZINC000866711773 596304980 /nfs/dbraw/zinc/30/49/80/596304980.db2.gz NHAMUVSSXPZRRC-OIISXLGYSA-N 2 1 330.432 1.374 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000866711574 596305164 /nfs/dbraw/zinc/30/51/64/596305164.db2.gz MOBVYCWBEFXWBE-KFWWJZLASA-N 2 1 337.370 1.991 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000866712823 596305830 /nfs/dbraw/zinc/30/58/30/596305830.db2.gz YKCYLAFKWUQHBT-KCITZHQASA-N 2 1 341.455 1.973 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870942368 596414286 /nfs/dbraw/zinc/41/42/86/596414286.db2.gz MAJKDRZRHFDIHX-RCDNUKIMSA-N 2 1 329.444 1.700 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H](C)C1CC[NH2+]CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000870987096 596431231 /nfs/dbraw/zinc/43/12/31/596431231.db2.gz SXKYRZRHODUDHA-PNBKFKSVSA-N 2 1 325.497 1.625 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1cc[nH+]cc1C(F)(F)F ZINC000865499083 596592210 /nfs/dbraw/zinc/59/22/10/596592210.db2.gz KIUTYNNUCSPDJO-CQSZACIVSA-N 2 1 344.381 1.877 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(C)C[C@@H](C)[NH3+])CC1 ZINC000863570101 596621256 /nfs/dbraw/zinc/62/12/56/596621256.db2.gz RXUBZSROGGBYNR-QGZVFWFLSA-N 2 1 332.492 1.308 20 0 EDADMP Cc1cccc(CNC(=O)CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000871786227 596700706 /nfs/dbraw/zinc/70/07/06/596700706.db2.gz VISYZQOCHGXXNV-ALOPSCKCSA-N 2 1 344.459 1.982 20 0 EDADMP Cc1cccc(CNC(=O)CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000871786227 596700708 /nfs/dbraw/zinc/70/07/08/596700708.db2.gz VISYZQOCHGXXNV-ALOPSCKCSA-N 2 1 344.459 1.982 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)[nH+]c1 ZINC000868273659 596758443 /nfs/dbraw/zinc/75/84/43/596758443.db2.gz VGNDYEICPROTLW-HOTGVXAUSA-N 2 1 331.464 1.928 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)[nH+]c1 ZINC000868273659 596758444 /nfs/dbraw/zinc/75/84/44/596758444.db2.gz VGNDYEICPROTLW-HOTGVXAUSA-N 2 1 331.464 1.928 20 0 EDADMP COC(=O)N1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000872200395 596832912 /nfs/dbraw/zinc/83/29/12/596832912.db2.gz QGNCONRQJODQIO-HKUYNNGSSA-N 2 1 347.459 1.444 20 0 EDADMP COC(=O)N1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000872200395 596832918 /nfs/dbraw/zinc/83/29/18/596832918.db2.gz QGNCONRQJODQIO-HKUYNNGSSA-N 2 1 347.459 1.444 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000875810182 596993214 /nfs/dbraw/zinc/99/32/14/596993214.db2.gz XYDVTTWABAJNDM-XHHISWJOSA-N 2 1 347.507 1.395 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000875810182 596993217 /nfs/dbraw/zinc/99/32/17/596993217.db2.gz XYDVTTWABAJNDM-XHHISWJOSA-N 2 1 347.507 1.395 20 0 EDADMP Cc1nccc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)n1 ZINC000873210151 597228938 /nfs/dbraw/zinc/22/89/38/597228938.db2.gz WWJWOGRXDBTIAM-UHFFFAOYSA-N 2 1 329.473 1.814 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875134611 597296097 /nfs/dbraw/zinc/29/60/97/597296097.db2.gz YATBCQIUUBRYSM-GBESFXJTSA-N 2 1 344.503 1.895 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)cn1 ZINC000876721006 597304694 /nfs/dbraw/zinc/30/46/94/597304694.db2.gz OPUDPIIDHQQYEU-ZKKXHLJNSA-N 2 1 325.416 1.748 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H](N)C[NH+](C)C)cc2)C1 ZINC000876722435 597305971 /nfs/dbraw/zinc/30/59/71/597305971.db2.gz UTBAIVYULUVDCY-FCEWJHQRSA-N 2 1 346.519 1.670 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)c2sc(C3CC[NH2+]CC3)nc2C)C1 ZINC000876728101 597309023 /nfs/dbraw/zinc/30/90/23/597309023.db2.gz YAEGNZXRULRBOZ-ZDUSSCGKSA-N 2 1 336.505 1.990 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000876779869 597337707 /nfs/dbraw/zinc/33/77/07/597337707.db2.gz CVPCLUXLDOVSPW-IMJJTQAJSA-N 2 1 331.464 1.329 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]([NH3+])C3(C)C)cc2)CC1 ZINC000876782599 597338685 /nfs/dbraw/zinc/33/86/85/597338685.db2.gz XTFJNSXRWGUJDL-ROUUACIJSA-N 2 1 344.503 1.424 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000876883391 597368339 /nfs/dbraw/zinc/36/83/39/597368339.db2.gz GKFXNILFKRTFAH-OAGGEKHMSA-N 2 1 331.464 1.425 20 0 EDADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000876961790 597398062 /nfs/dbraw/zinc/39/80/62/597398062.db2.gz XDFMHTQKMJRVNN-WJQBDSKDSA-N 2 1 343.471 1.281 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000877016315 597412346 /nfs/dbraw/zinc/41/23/46/597412346.db2.gz LCKCRBFWAHOAFH-CHWSQXEVSA-N 2 1 332.370 1.957 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000875427849 597424511 /nfs/dbraw/zinc/42/45/11/597424511.db2.gz XDLZWKCINCAUQS-RDJZCZTQSA-N 2 1 346.475 1.318 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000875427849 597424512 /nfs/dbraw/zinc/42/45/12/597424512.db2.gz XDLZWKCINCAUQS-RDJZCZTQSA-N 2 1 346.475 1.318 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000875427849 597424515 /nfs/dbraw/zinc/42/45/15/597424515.db2.gz XDLZWKCINCAUQS-RDJZCZTQSA-N 2 1 346.475 1.318 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000875427849 597424519 /nfs/dbraw/zinc/42/45/19/597424519.db2.gz XDLZWKCINCAUQS-RDJZCZTQSA-N 2 1 346.475 1.318 20 0 EDADMP C[NH+]1CCC(CNC(=O)c2csc(C[NH3+])n2)(c2ccccc2)CC1 ZINC000877227818 597467859 /nfs/dbraw/zinc/46/78/59/597467859.db2.gz QDRNLBOMSSVWDH-UHFFFAOYSA-N 2 1 344.484 1.995 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000877230230 597470097 /nfs/dbraw/zinc/47/00/97/597470097.db2.gz YGTHOYXVXVSEKI-ZWKOTPCHSA-N 2 1 345.487 1.700 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000877230230 597470099 /nfs/dbraw/zinc/47/00/99/597470099.db2.gz YGTHOYXVXVSEKI-ZWKOTPCHSA-N 2 1 345.487 1.700 20 0 EDADMP [NH3+][C@@H](C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(F)cc1F ZINC000877341531 597495791 /nfs/dbraw/zinc/49/57/91/597495791.db2.gz YXTUVAQUWAFGTE-WMLDXEAASA-N 2 1 331.366 1.795 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000877451921 597517444 /nfs/dbraw/zinc/51/74/44/597517444.db2.gz VZOOWLRMQSPFRF-RYQLBKOJSA-N 2 1 326.444 1.733 20 0 EDADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000878123836 597579945 /nfs/dbraw/zinc/57/99/45/597579945.db2.gz ACHMKQGXFSMDEJ-JQHSSLGASA-N 2 1 337.508 1.722 20 0 EDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)CC2(O)CCOCC2)cc1 ZINC000878314659 597594704 /nfs/dbraw/zinc/59/47/04/597594704.db2.gz RZYVRMXQPVDHAS-SFHVURJKSA-N 2 1 336.476 1.473 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)NC(=O)NCc3ccccc3)CC[C@H]21 ZINC000879572056 597636513 /nfs/dbraw/zinc/63/65/13/597636513.db2.gz NURICFNEYKFXNX-IAGOWNOFSA-N 2 1 344.459 1.429 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)NC(=O)NCc3ccccc3)CC[C@H]21 ZINC000879572056 597636516 /nfs/dbraw/zinc/63/65/16/597636516.db2.gz NURICFNEYKFXNX-IAGOWNOFSA-N 2 1 344.459 1.429 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)NC(=O)NCc3ccccc3)CC[C@H]21 ZINC000879572056 597636519 /nfs/dbraw/zinc/63/65/19/597636519.db2.gz NURICFNEYKFXNX-IAGOWNOFSA-N 2 1 344.459 1.429 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)CC[C@H]21 ZINC000879572056 597636521 /nfs/dbraw/zinc/63/65/21/597636521.db2.gz NURICFNEYKFXNX-IAGOWNOFSA-N 2 1 344.459 1.429 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1C[C@H](O)CC(C)(C)C1 ZINC000879620839 597661475 /nfs/dbraw/zinc/66/14/75/597661475.db2.gz LNAFEACTKCIXPF-HZPDHXFCSA-N 2 1 346.475 1.212 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)[NH+]1CCSCC1 ZINC000881633419 597665876 /nfs/dbraw/zinc/66/58/76/597665876.db2.gz WYDBSTNHHVMFHS-CABCVRRESA-N 2 1 334.489 1.556 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000883323042 597713809 /nfs/dbraw/zinc/71/38/09/597713809.db2.gz DLOXEEKPCMYOKN-RTBURBONSA-N 2 1 344.503 1.944 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000883323042 597713810 /nfs/dbraw/zinc/71/38/10/597713810.db2.gz DLOXEEKPCMYOKN-RTBURBONSA-N 2 1 344.503 1.944 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000883323042 597713811 /nfs/dbraw/zinc/71/38/11/597713811.db2.gz DLOXEEKPCMYOKN-RTBURBONSA-N 2 1 344.503 1.944 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000883332529 597716539 /nfs/dbraw/zinc/71/65/39/597716539.db2.gz WZQURBUPGKQDDJ-GOEBONIOSA-N 2 1 338.496 1.412 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000878825315 597725110 /nfs/dbraw/zinc/72/51/10/597725110.db2.gz DGLBVOLYOWRZQG-ILXRZTDVSA-N 2 1 341.496 1.723 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000878825315 597725111 /nfs/dbraw/zinc/72/51/11/597725111.db2.gz DGLBVOLYOWRZQG-ILXRZTDVSA-N 2 1 341.496 1.723 20 0 EDADMP COCC[N@@H+](C[C@@H]1CC(C(=O)OC)=C(C)O1)CC1CC[NH+](C)CC1 ZINC000879125460 597826816 /nfs/dbraw/zinc/82/68/16/597826816.db2.gz BPFLPBSUGIVXTB-INIZCTEOSA-N 2 1 340.464 1.513 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880475500 597940785 /nfs/dbraw/zinc/94/07/85/597940785.db2.gz VIHCAJHXBPSLEL-HNNXBMFYSA-N 2 1 341.496 1.822 20 0 EDADMP C[NH2+][C@@H](CC(C)C)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000884053637 597979717 /nfs/dbraw/zinc/97/97/17/597979717.db2.gz CDMRTKZHTDKYNP-INIZCTEOSA-N 2 1 325.497 1.772 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000884074833 597986468 /nfs/dbraw/zinc/98/64/68/597986468.db2.gz CPKQOZNGHFJUGK-HNNXBMFYSA-N 2 1 342.447 1.897 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@H](CC(C)C)[NH2+]C)[NH+]1CCOCC1 ZINC000884183935 598017662 /nfs/dbraw/zinc/01/76/62/598017662.db2.gz ASQVTKSJULMQPV-DLBZAZTESA-N 2 1 327.513 1.874 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000914075981 695071332 /nfs/dbraw/zinc/07/13/32/695071332.db2.gz MYBQQYJUIBMHLN-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000914075981 695071337 /nfs/dbraw/zinc/07/13/37/695071337.db2.gz MYBQQYJUIBMHLN-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000914075981 695071339 /nfs/dbraw/zinc/07/13/39/695071339.db2.gz MYBQQYJUIBMHLN-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP CC[C@H](C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1)OC ZINC001030986963 695086173 /nfs/dbraw/zinc/08/61/73/695086173.db2.gz GIYPXXPHRDYEKZ-QRVBRYPASA-N 2 1 345.487 1.557 20 0 EDADMP CC[C@H](C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1)OC ZINC001030986963 695086176 /nfs/dbraw/zinc/08/61/76/695086176.db2.gz GIYPXXPHRDYEKZ-QRVBRYPASA-N 2 1 345.487 1.557 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000914150604 695159532 /nfs/dbraw/zinc/15/95/32/695159532.db2.gz PLJKIWFUJHBDNX-FPCVCCKLSA-N 2 1 338.521 1.492 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914150604 695159533 /nfs/dbraw/zinc/15/95/33/695159533.db2.gz PLJKIWFUJHBDNX-FPCVCCKLSA-N 2 1 338.521 1.492 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914150604 695159534 /nfs/dbraw/zinc/15/95/34/695159534.db2.gz PLJKIWFUJHBDNX-FPCVCCKLSA-N 2 1 338.521 1.492 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccon3)[C@H]2C1)C1CCC1 ZINC000992719485 695235570 /nfs/dbraw/zinc/23/55/70/695235570.db2.gz ZPUKPUYUCXOBBK-WBAXXEDZSA-N 2 1 346.475 1.876 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[N@H+]1C ZINC000914191663 695267465 /nfs/dbraw/zinc/26/74/65/695267465.db2.gz BVGYNWGEHIRWGO-CABCVRRESA-N 2 1 340.537 1.740 20 0 EDADMP O=C(NCC1C[NH+](CC2CCCCC2)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031857572 700017629 /nfs/dbraw/zinc/01/76/29/700017629.db2.gz ZDIXNBINSUHLMS-IPCDKGFNSA-N 2 1 347.503 1.478 20 0 EDADMP CCOC1CC(C[NH+]2CC(NC(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001031236483 695933813 /nfs/dbraw/zinc/93/38/13/695933813.db2.gz YUUDPCNMRODGPH-UHFFFAOYSA-N 2 1 349.519 1.724 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](CCc2cnn(C)c2)[C@H]1C ZINC000993585153 696236128 /nfs/dbraw/zinc/23/61/28/696236128.db2.gz CGOZYNQUGWKQLG-DOTOQJQBSA-N 2 1 344.463 1.137 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](CCc2cnn(C)c2)[C@H]1C ZINC000993585153 696236129 /nfs/dbraw/zinc/23/61/29/696236129.db2.gz CGOZYNQUGWKQLG-DOTOQJQBSA-N 2 1 344.463 1.137 20 0 EDADMP CCCC[N@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993980705 696480401 /nfs/dbraw/zinc/48/04/01/696480401.db2.gz BPGUIARICAVKMB-RDJZCZTQSA-N 2 1 335.496 1.828 20 0 EDADMP Cc1nc(CC[NH+]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cs1 ZINC001015708524 696626463 /nfs/dbraw/zinc/62/64/63/696626463.db2.gz HTICDHALKAUBKY-ZFWWWQNUSA-N 2 1 336.505 1.526 20 0 EDADMP Cc1nc(CC[NH+]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cs1 ZINC001015708524 696626464 /nfs/dbraw/zinc/62/64/64/696626464.db2.gz HTICDHALKAUBKY-ZFWWWQNUSA-N 2 1 336.505 1.526 20 0 EDADMP Cc1nc(CC[N@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cs1 ZINC001015708524 696626465 /nfs/dbraw/zinc/62/64/65/696626465.db2.gz HTICDHALKAUBKY-ZFWWWQNUSA-N 2 1 336.505 1.526 20 0 EDADMP Cc1nc(CC[N@@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cs1 ZINC001015708524 696626466 /nfs/dbraw/zinc/62/64/66/696626466.db2.gz HTICDHALKAUBKY-ZFWWWQNUSA-N 2 1 336.505 1.526 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)C(C)C ZINC000916165737 696632465 /nfs/dbraw/zinc/63/24/65/696632465.db2.gz WKXJQDPRGAEVMD-CABCVRRESA-N 2 1 328.526 1.596 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)on1 ZINC000994249384 696639583 /nfs/dbraw/zinc/63/95/83/696639583.db2.gz GCVKAESRTHZHTK-ZBFHGGJFSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)on1 ZINC000994249384 696639584 /nfs/dbraw/zinc/63/95/84/696639584.db2.gz GCVKAESRTHZHTK-ZBFHGGJFSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nn1C ZINC000940008364 700109772 /nfs/dbraw/zinc/10/97/72/700109772.db2.gz KPJNNZGPYVSJNM-MRXNPFEDSA-N 2 1 333.480 1.293 20 0 EDADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000917007778 696874710 /nfs/dbraw/zinc/87/47/10/696874710.db2.gz SGODCPSACOEAPU-BRWVUGGUSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)C[C@@H]1CN(C)CCN1C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000917007778 696874712 /nfs/dbraw/zinc/87/47/12/696874712.db2.gz SGODCPSACOEAPU-BRWVUGGUSA-N 2 1 340.512 1.467 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)C2)nc(C)[nH+]1 ZINC000917632606 697055535 /nfs/dbraw/zinc/05/55/35/697055535.db2.gz DDVJVGIGHSQSSQ-CWRNSKLLSA-N 2 1 346.479 1.454 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@@H+](C)[C@H]3C)C2)nc(C)[nH+]1 ZINC000917632606 697055537 /nfs/dbraw/zinc/05/55/37/697055537.db2.gz DDVJVGIGHSQSSQ-CWRNSKLLSA-N 2 1 346.479 1.454 20 0 EDADMP CCc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC001031595046 697295108 /nfs/dbraw/zinc/29/51/08/697295108.db2.gz PVKGGGPTTXTLNR-SFHVURJKSA-N 2 1 331.460 1.128 20 0 EDADMP CCc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001031595046 697295110 /nfs/dbraw/zinc/29/51/10/697295110.db2.gz PVKGGGPTTXTLNR-SFHVURJKSA-N 2 1 331.460 1.128 20 0 EDADMP Cc1ccccc1CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031596060 697295842 /nfs/dbraw/zinc/29/58/42/697295842.db2.gz FLJNJOCGUYFQLP-IBGZPJMESA-N 2 1 345.487 1.306 20 0 EDADMP Cc1ccccc1CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031596060 697295844 /nfs/dbraw/zinc/29/58/44/697295844.db2.gz FLJNJOCGUYFQLP-IBGZPJMESA-N 2 1 345.487 1.306 20 0 EDADMP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+](CCC3CCOCC3)C2)CC1 ZINC001015797225 697406239 /nfs/dbraw/zinc/40/62/39/697406239.db2.gz ZWMGQJRZQJVOSV-SFHVURJKSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1cc(CN2CC(CNC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)on1 ZINC001031668684 697462488 /nfs/dbraw/zinc/46/24/88/697462488.db2.gz LZMMKMUNSHOMSX-HZPDHXFCSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031688937 697528208 /nfs/dbraw/zinc/52/82/08/697528208.db2.gz OFSYVAMRKONYJM-OALUTQOASA-N 2 1 343.471 1.406 20 0 EDADMP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031689609 697531151 /nfs/dbraw/zinc/53/11/51/697531151.db2.gz XKBWPJGBVACAIG-OALUTQOASA-N 2 1 349.519 1.868 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000921242499 697537208 /nfs/dbraw/zinc/53/72/08/697537208.db2.gz PRTOKBICQFCQQW-HOCLYGCPSA-N 2 1 326.485 1.268 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000921422624 697601593 /nfs/dbraw/zinc/60/15/93/697601593.db2.gz BEFKRFRHUQSVHN-WCVJEAGWSA-N 2 1 340.537 1.594 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000921422624 697601594 /nfs/dbraw/zinc/60/15/94/697601594.db2.gz BEFKRFRHUQSVHN-WCVJEAGWSA-N 2 1 340.537 1.594 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2c(C)noc2C)C1 ZINC001031712260 697720892 /nfs/dbraw/zinc/72/08/92/697720892.db2.gz USSVLJCZYZCTAX-KRWDZBQOSA-N 2 1 334.464 1.714 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2c(C)noc2C)C1 ZINC001031712260 697720894 /nfs/dbraw/zinc/72/08/94/697720894.db2.gz USSVLJCZYZCTAX-KRWDZBQOSA-N 2 1 334.464 1.714 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001031729623 698055386 /nfs/dbraw/zinc/05/53/86/698055386.db2.gz RDPYALYKAZHXQQ-FUHWJXTLSA-N 2 1 337.508 1.439 20 0 EDADMP O=C(NCC1C[NH+](C[C@@H]2CCCOC2)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001031732147 698120950 /nfs/dbraw/zinc/12/09/50/698120950.db2.gz VPUMNIOGCCUOMH-GOEBONIOSA-N 2 1 332.448 1.235 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C)C1 ZINC000995040999 700248421 /nfs/dbraw/zinc/24/84/21/700248421.db2.gz XVIJISXIYVXXJK-NVXWUHKLSA-N 2 1 344.463 1.308 20 0 EDADMP COCc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001031777181 699162448 /nfs/dbraw/zinc/16/24/48/699162448.db2.gz YAGCCWRXTNJWGN-LJQANCHMSA-N 2 1 345.487 1.865 20 0 EDADMP CN(C)c1cc(CN2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)ccn1 ZINC001031776700 699168797 /nfs/dbraw/zinc/16/87/97/699168797.db2.gz MOZQTUCACDGVSH-KRWDZBQOSA-N 2 1 345.491 1.180 20 0 EDADMP CN(C)c1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)ccn1 ZINC001031776700 699168800 /nfs/dbraw/zinc/16/88/00/699168800.db2.gz MOZQTUCACDGVSH-KRWDZBQOSA-N 2 1 345.491 1.180 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)co1 ZINC000939137526 699224424 /nfs/dbraw/zinc/22/44/24/699224424.db2.gz JLWGOZXUOPCFMT-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)co1 ZINC000939137526 699224425 /nfs/dbraw/zinc/22/44/25/699224425.db2.gz JLWGOZXUOPCFMT-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000941567367 701579773 /nfs/dbraw/zinc/57/97/73/701579773.db2.gz SABYPNCHGNZTCR-QGZVFWFLSA-N 2 1 334.508 1.265 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000941567367 701579774 /nfs/dbraw/zinc/57/97/74/701579774.db2.gz SABYPNCHGNZTCR-QGZVFWFLSA-N 2 1 334.508 1.265 20 0 EDADMP CC(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567494 701579922 /nfs/dbraw/zinc/57/99/22/701579922.db2.gz VFZSYNQPXWIVTO-FUHWJXTLSA-N 2 1 336.524 1.059 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031802940 699352166 /nfs/dbraw/zinc/35/21/66/699352166.db2.gz YEJDPXCCXJWXQT-SFHVURJKSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031802940 699352169 /nfs/dbraw/zinc/35/21/69/699352169.db2.gz YEJDPXCCXJWXQT-SFHVURJKSA-N 2 1 348.491 1.960 20 0 EDADMP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+]CC1CC1 ZINC000939408493 699562994 /nfs/dbraw/zinc/56/29/94/699562994.db2.gz PGPKBFQTCBNLDN-CXAGYDPISA-N 2 1 325.416 1.727 20 0 EDADMP CCc1nc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)cs1 ZINC000939550932 699700159 /nfs/dbraw/zinc/70/01/59/699700159.db2.gz QIFYTOJMRDLWBI-HIFRSBDPSA-N 2 1 348.516 1.738 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)s1 ZINC000939748826 699895672 /nfs/dbraw/zinc/89/56/72/699895672.db2.gz ROTIWMGIVABCLI-XHDPSFHLSA-N 2 1 333.461 1.593 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CCN(C2C[NH+](Cc3ccccc3)C2)CC1 ZINC000941666026 701620070 /nfs/dbraw/zinc/62/00/70/701620070.db2.gz MHHRDWWJCMHOGQ-UHFFFAOYSA-N 2 1 342.487 1.111 20 0 EDADMP Cn1cc(C[NH2+]C2(C)CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000940159601 700291833 /nfs/dbraw/zinc/29/18/33/700291833.db2.gz LRBQRNSLALMEBS-KRWDZBQOSA-N 2 1 347.507 1.765 20 0 EDADMP O=C(N[C@@H]1CC[C@H](C[NH2+]Cc2cnsn2)C1)C12CC[NH+](CC1)C2 ZINC000995167207 701634569 /nfs/dbraw/zinc/63/45/69/701634569.db2.gz IKYLGYPPHBUXAG-QWHCGFSZSA-N 2 1 335.477 1.008 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940327781 700505218 /nfs/dbraw/zinc/50/52/18/700505218.db2.gz UAZNFJRCYATOPE-QWHCGFSZSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1 ZINC000940328376 700506371 /nfs/dbraw/zinc/50/63/71/700506371.db2.gz ICMXQLRMCSHORI-TZMCWYRMSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1 ZINC000940328376 700506374 /nfs/dbraw/zinc/50/63/74/700506374.db2.gz ICMXQLRMCSHORI-TZMCWYRMSA-N 2 1 337.493 1.207 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)nn1C ZINC000940328350 700506381 /nfs/dbraw/zinc/50/63/81/700506381.db2.gz HMXHQXWRVWATJB-HNNXBMFYSA-N 2 1 347.507 1.541 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1 ZINC000940329693 700509545 /nfs/dbraw/zinc/50/95/45/700509545.db2.gz XEVWNTLKDMFQOQ-ZDUSSCGKSA-N 2 1 337.493 1.493 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]Cc3nccs3)CC2)C1 ZINC000940426126 700619534 /nfs/dbraw/zinc/61/95/34/700619534.db2.gz GLRWUPOPFCUVSC-AWEZNQCLSA-N 2 1 336.505 1.956 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC000940426727 700620591 /nfs/dbraw/zinc/62/05/91/700620591.db2.gz ZISNMBCNANYANV-MRXNPFEDSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000940457488 700661289 /nfs/dbraw/zinc/66/12/89/700661289.db2.gz HVCPGJNSLZKNFS-HNNXBMFYSA-N 2 1 334.464 1.714 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCn2cccn2)CC1(C)C ZINC000940618198 700799931 /nfs/dbraw/zinc/79/99/31/700799931.db2.gz QLFUNPAGQPKDDE-CVEARBPZSA-N 2 1 333.480 1.194 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCn2cccn2)CC1(C)C ZINC000940618198 700799932 /nfs/dbraw/zinc/79/99/32/700799932.db2.gz QLFUNPAGQPKDDE-CVEARBPZSA-N 2 1 333.480 1.194 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cccn2)CC1(C)C ZINC000940618198 700799933 /nfs/dbraw/zinc/79/99/33/700799933.db2.gz QLFUNPAGQPKDDE-CVEARBPZSA-N 2 1 333.480 1.194 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940894859 700985857 /nfs/dbraw/zinc/98/58/57/700985857.db2.gz HULUFXCAFDUNPI-BBRMVZONSA-N 2 1 330.432 1.545 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941025994 701065476 /nfs/dbraw/zinc/06/54/76/701065476.db2.gz HQHSYINAUUHONO-DLBZAZTESA-N 2 1 347.507 1.442 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941025994 701065478 /nfs/dbraw/zinc/06/54/78/701065478.db2.gz HQHSYINAUUHONO-DLBZAZTESA-N 2 1 347.507 1.442 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941025994 701065480 /nfs/dbraw/zinc/06/54/80/701065480.db2.gz HQHSYINAUUHONO-DLBZAZTESA-N 2 1 347.507 1.442 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cnn(C)c3)CC2(C)C)C1 ZINC000941033264 701075807 /nfs/dbraw/zinc/07/58/07/701075807.db2.gz MYZRUIOZHDTPAQ-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)c3)CC2(C)C)C1 ZINC000941033264 701075808 /nfs/dbraw/zinc/07/58/08/701075808.db2.gz MYZRUIOZHDTPAQ-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)c3)CC2(C)C)C1 ZINC000941033264 701075810 /nfs/dbraw/zinc/07/58/10/701075810.db2.gz MYZRUIOZHDTPAQ-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cnn(C)c3)CC2(C)C)C1 ZINC000941033265 701075903 /nfs/dbraw/zinc/07/59/03/701075903.db2.gz MYZRUIOZHDTPAQ-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)c3)CC2(C)C)C1 ZINC000941033265 701075906 /nfs/dbraw/zinc/07/59/06/701075906.db2.gz MYZRUIOZHDTPAQ-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)c3)CC2(C)C)C1 ZINC000941033265 701075910 /nfs/dbraw/zinc/07/59/10/701075910.db2.gz MYZRUIOZHDTPAQ-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001032197539 701695411 /nfs/dbraw/zinc/69/54/11/701695411.db2.gz NIOBJETWTDKRAG-RTBURBONSA-N 2 1 345.487 1.906 20 0 EDADMP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001032197539 701695414 /nfs/dbraw/zinc/69/54/14/701695414.db2.gz NIOBJETWTDKRAG-RTBURBONSA-N 2 1 345.487 1.906 20 0 EDADMP CCc1noc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000995171212 701693653 /nfs/dbraw/zinc/69/36/53/701693653.db2.gz ZHLSNCCIJBOENJ-ZIAGYGMSSA-N 2 1 347.463 1.102 20 0 EDADMP Cc1ncccc1C[N@H+]1CC[C@H](NC(=O)Cn2ccnc2)[C@H](C)C1 ZINC000945806334 701196089 /nfs/dbraw/zinc/19/60/89/701196089.db2.gz CQEVJZPUGVQLMP-PBHICJAKSA-N 2 1 327.432 1.613 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c(C)o1 ZINC000999168464 706596235 /nfs/dbraw/zinc/59/62/35/706596235.db2.gz BLAFUUZYWZTKEG-DLBZAZTESA-N 2 1 346.475 1.714 20 0 EDADMP CC1(C)C[N@@H+](C[C@@H]2CCCCO2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941215115 701401364 /nfs/dbraw/zinc/40/13/64/701401364.db2.gz LRAAUGAYSXMICH-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(Cc3nccs3)CC2(C)C)C1 ZINC000941215715 701401865 /nfs/dbraw/zinc/40/18/65/701401865.db2.gz AJZCITZFCFSJDS-UONOGXRCSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1cc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)no1 ZINC000941216025 701402234 /nfs/dbraw/zinc/40/22/34/701402234.db2.gz BZWXUNMZJWJPSZ-HOCLYGCPSA-N 2 1 334.464 1.651 20 0 EDADMP CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941436946 701540167 /nfs/dbraw/zinc/54/01/67/701540167.db2.gz MCOYMNCWLXBTFL-QGZVFWFLSA-N 2 1 345.491 1.389 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC3CC3)C2)CC1 ZINC000941460038 701544203 /nfs/dbraw/zinc/54/42/03/701544203.db2.gz MLHBXJUENHUJHD-SFHVURJKSA-N 2 1 334.508 1.099 20 0 EDADMP COc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)ccc1C ZINC001031976264 701952565 /nfs/dbraw/zinc/95/25/65/701952565.db2.gz IAUFTIOMKOPZOX-QAPCUYQASA-N 2 1 345.487 1.749 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1C[NH+](CC3CC(C)C3)C1)C2 ZINC001031978056 701985501 /nfs/dbraw/zinc/98/55/01/701985501.db2.gz NELODBNQDNFWIM-PUJMQQBBSA-N 2 1 330.476 1.848 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001031977126 702011645 /nfs/dbraw/zinc/01/16/45/702011645.db2.gz WZRDPTZGRJRUTI-FOIQADDNSA-N 2 1 341.499 1.921 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCOc2ccccc2F)C1 ZINC001031977355 702019349 /nfs/dbraw/zinc/01/93/49/702019349.db2.gz YNJNHXVPLUPQQU-GDBMZVCRSA-N 2 1 349.450 1.450 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCOc2ccccc2F)C1 ZINC001031977355 702019356 /nfs/dbraw/zinc/01/93/56/702019356.db2.gz YNJNHXVPLUPQQU-GDBMZVCRSA-N 2 1 349.450 1.450 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001031978303 702079444 /nfs/dbraw/zinc/07/94/44/702079444.db2.gz RSGYYSUGCQJULZ-HNAYVOBHSA-N 2 1 344.503 1.498 20 0 EDADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995829780 702103648 /nfs/dbraw/zinc/10/36/48/702103648.db2.gz DFAJEMLFCJWRJA-IIAWOOMASA-N 2 1 334.464 1.650 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1)C1CCC1 ZINC000995918407 702238005 /nfs/dbraw/zinc/23/80/05/702238005.db2.gz NPBZIUVGLMUEAJ-QGZVFWFLSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@H](NCc2ncccn2)C(C)(C)C1)C1CCC1 ZINC000995920115 702240545 /nfs/dbraw/zinc/24/05/45/702240545.db2.gz SLSPUEQSOPWYLY-HNNXBMFYSA-N 2 1 331.464 1.288 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@H]([NH2+]Cc2ncccn2)C(C)(C)C1)C1CCC1 ZINC000995920115 702240552 /nfs/dbraw/zinc/24/05/52/702240552.db2.gz SLSPUEQSOPWYLY-HNNXBMFYSA-N 2 1 331.464 1.288 20 0 EDADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)cn1 ZINC000995920749 702242553 /nfs/dbraw/zinc/24/25/53/702242553.db2.gz UZYPNUAFLHJXTQ-MRXNPFEDSA-N 2 1 333.480 1.231 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1)[NH+](C)C ZINC000995922581 702246260 /nfs/dbraw/zinc/24/62/60/702246260.db2.gz FMFBVBSWQZSVLQ-ZBFHGGJFSA-N 2 1 333.480 1.389 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)C(C)(C)C2)O1 ZINC000995949012 702297029 /nfs/dbraw/zinc/29/70/29/702297029.db2.gz AYTMLGFEMJPHQN-KBAYOESNSA-N 2 1 345.487 1.732 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)C(C)(C)C2)O1 ZINC000995949012 702297033 /nfs/dbraw/zinc/29/70/33/702297033.db2.gz AYTMLGFEMJPHQN-KBAYOESNSA-N 2 1 345.487 1.732 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000995985585 702346802 /nfs/dbraw/zinc/34/68/02/702346802.db2.gz WJJBZQRHARIISH-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995986566 702348447 /nfs/dbraw/zinc/34/84/47/702348447.db2.gz YXIJPMFYIAXUQP-CVEARBPZSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995986566 702348455 /nfs/dbraw/zinc/34/84/55/702348455.db2.gz YXIJPMFYIAXUQP-CVEARBPZSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944156916 702453265 /nfs/dbraw/zinc/45/32/65/702453265.db2.gz WSTGHYKPRDBFSE-JKSUJKDBSA-N 2 1 345.491 1.325 20 0 EDADMP CCn1ccnc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944156916 702453267 /nfs/dbraw/zinc/45/32/67/702453267.db2.gz WSTGHYKPRDBFSE-JKSUJKDBSA-N 2 1 345.491 1.325 20 0 EDADMP C[C@H]1C[N@@H+](CCCF)CC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942058582 702509894 /nfs/dbraw/zinc/50/98/94/702509894.db2.gz YPSINNQTYDZPSH-LSDHHAIUSA-N 2 1 339.459 1.245 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]([NH2+]Cc3nccn3C)C(C)(C)C2)CC[N@H+]1C ZINC000996196490 702623318 /nfs/dbraw/zinc/62/33/18/702623318.db2.gz NRTHGXJVOIMAJN-JYJNAYRXSA-N 2 1 347.507 1.477 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ncccn3)C(C)(C)C2)CC1 ZINC000996233973 702643620 /nfs/dbraw/zinc/64/36/20/702643620.db2.gz BZAYCXZYDJBJTP-OAHLLOKOSA-N 2 1 331.464 1.145 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cncn3C)C(C)(C)C2)C1 ZINC000996293004 702684938 /nfs/dbraw/zinc/68/49/38/702684938.db2.gz AEFCBTRPPDQPIA-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP COc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)on1 ZINC000995210382 702685656 /nfs/dbraw/zinc/68/56/56/702685656.db2.gz LORRILAYHSUWKX-ZIAGYGMSSA-N 2 1 347.419 1.263 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)cn1 ZINC000996300045 702690982 /nfs/dbraw/zinc/69/09/82/702690982.db2.gz JDHOURLQQXTKTB-YOEHRIQHSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)nn1C ZINC000996300959 702692529 /nfs/dbraw/zinc/69/25/29/702692529.db2.gz PQORZXRAWPRMNX-PBHICJAKSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)nn1C ZINC000996301107 702693058 /nfs/dbraw/zinc/69/30/58/702693058.db2.gz PQORZXRAWPRMNX-YOEHRIQHSA-N 2 1 347.507 1.539 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H](NCc2ncccn2)C(C)(C)C1 ZINC000996301474 702693466 /nfs/dbraw/zinc/69/34/66/702693466.db2.gz UDUULIYMWLVKEE-GJZGRUSLSA-N 2 1 331.464 1.288 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000996301474 702693471 /nfs/dbraw/zinc/69/34/71/702693471.db2.gz UDUULIYMWLVKEE-GJZGRUSLSA-N 2 1 331.464 1.288 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)co1 ZINC000996301569 702693689 /nfs/dbraw/zinc/69/36/89/702693689.db2.gz UXSLLJFYOZZJRN-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)co1 ZINC000996301569 702693691 /nfs/dbraw/zinc/69/36/91/702693691.db2.gz UXSLLJFYOZZJRN-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP CC(C)c1noc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995213031 702707676 /nfs/dbraw/zinc/70/76/76/702707676.db2.gz PPEMUZYRZFLHRA-HUUCEWRRSA-N 2 1 349.479 1.663 20 0 EDADMP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)nn1C ZINC000995214695 702710759 /nfs/dbraw/zinc/71/07/59/702710759.db2.gz RYJSBYAGZJJLLV-HZPDHXFCSA-N 2 1 344.463 1.308 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996384593 702749044 /nfs/dbraw/zinc/74/90/44/702749044.db2.gz ASKLZFZOSOZLCD-INIZCTEOSA-N 2 1 349.479 1.437 20 0 EDADMP CC1CC(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC2(C)C)C1 ZINC000996415652 702766262 /nfs/dbraw/zinc/76/62/62/702766262.db2.gz WPJRMTXFHMNYSW-OFLPRAFFSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1conc1C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942258533 702768077 /nfs/dbraw/zinc/76/80/77/702768077.db2.gz PICYDBAHKRVEJD-GDBMZVCRSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1conc1C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942258533 702768078 /nfs/dbraw/zinc/76/80/78/702768078.db2.gz PICYDBAHKRVEJD-GDBMZVCRSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942258935 702768797 /nfs/dbraw/zinc/76/87/97/702768797.db2.gz QUARPUGWJYEGIJ-HOCLYGCPSA-N 2 1 346.475 1.938 20 0 EDADMP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC000996465099 702792250 /nfs/dbraw/zinc/79/22/50/702792250.db2.gz QJBOHWFRJIVDEF-GOSISDBHSA-N 2 1 347.507 1.856 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000996465539 702792764 /nfs/dbraw/zinc/79/27/64/702792764.db2.gz UUMUXACOSZNTAI-QGZVFWFLSA-N 2 1 333.480 1.374 20 0 EDADMP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518246 702853784 /nfs/dbraw/zinc/85/37/84/702853784.db2.gz IUFQMRXYLNNQDA-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cncc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC000996605378 702914835 /nfs/dbraw/zinc/91/48/35/702914835.db2.gz DJLQHZFRQCXGLV-CRAIPNDOSA-N 2 1 330.476 1.811 20 0 EDADMP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996618240 702924925 /nfs/dbraw/zinc/92/49/25/702924925.db2.gz WWIMILIWFIOTQX-GDBMZVCRSA-N 2 1 348.491 1.824 20 0 EDADMP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)c1 ZINC000996619046 702925569 /nfs/dbraw/zinc/92/55/69/702925569.db2.gz YIHCUHWVZBCKAJ-IAGOWNOFSA-N 2 1 330.476 1.668 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCc1ccccc1F ZINC001032315305 702968824 /nfs/dbraw/zinc/96/88/24/702968824.db2.gz IAKYTGWKDDHVAT-BQFCYCMXSA-N 2 1 331.435 1.748 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)on1 ZINC000996671628 702972855 /nfs/dbraw/zinc/97/28/55/702972855.db2.gz IPFVNNIDRFUSCY-UHFFFAOYSA-N 2 1 336.436 1.248 20 0 EDADMP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[NH+]2C)c1C ZINC001032315504 702975474 /nfs/dbraw/zinc/97/54/74/702975474.db2.gz OKPOHNORWBJTHB-BZSNNMDCSA-N 2 1 343.471 1.883 20 0 EDADMP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[NH+]2C)c1C ZINC001032315504 702975476 /nfs/dbraw/zinc/97/54/76/702975476.db2.gz OKPOHNORWBJTHB-BZSNNMDCSA-N 2 1 343.471 1.883 20 0 EDADMP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@@H+]2C)c1C ZINC001032315504 702975478 /nfs/dbraw/zinc/97/54/78/702975478.db2.gz OKPOHNORWBJTHB-BZSNNMDCSA-N 2 1 343.471 1.883 20 0 EDADMP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@H+]2C)c1C ZINC001032315504 702975480 /nfs/dbraw/zinc/97/54/80/702975480.db2.gz OKPOHNORWBJTHB-BZSNNMDCSA-N 2 1 343.471 1.883 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)nn1 ZINC000996727657 703022571 /nfs/dbraw/zinc/02/25/71/703022571.db2.gz HZKPCGACSBORQO-INIZCTEOSA-N 2 1 347.463 1.050 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1)C(N)=O ZINC000996752874 703042261 /nfs/dbraw/zinc/04/22/61/703042261.db2.gz QPTBTFRCZKVLMY-CYBMUJFWSA-N 2 1 338.496 1.094 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]CCc2csc(C)n2)CC1 ZINC000996797578 703089913 /nfs/dbraw/zinc/08/99/13/703089913.db2.gz GDIQVZXAVGDFCA-UHFFFAOYSA-N 2 1 347.488 1.780 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)nn1C ZINC000942598495 703113697 /nfs/dbraw/zinc/11/36/97/703113697.db2.gz YGUVYELKQDFUFG-KSSFIOAISA-N 2 1 347.507 1.397 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)nn1C ZINC000942598495 703113699 /nfs/dbraw/zinc/11/36/99/703113699.db2.gz YGUVYELKQDFUFG-KSSFIOAISA-N 2 1 347.507 1.397 20 0 EDADMP Cn1cc(CC[NH+]2CC(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)cn1 ZINC001032042537 703203194 /nfs/dbraw/zinc/20/31/94/703203194.db2.gz DEVBNOJXYPWZFF-ROUUACIJSA-N 2 1 345.491 1.028 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032044631 703245597 /nfs/dbraw/zinc/24/55/97/703245597.db2.gz VTFGMPVHFKJKGC-ZWKOTPCHSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032044631 703245599 /nfs/dbraw/zinc/24/55/99/703245599.db2.gz VTFGMPVHFKJKGC-ZWKOTPCHSA-N 2 1 328.460 1.647 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000996994847 703251429 /nfs/dbraw/zinc/25/14/29/703251429.db2.gz KSZUAVREXCPJAI-AWEZNQCLSA-N 2 1 333.480 1.293 20 0 EDADMP Cc1ncoc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000996996855 703260173 /nfs/dbraw/zinc/26/01/73/703260173.db2.gz ATCNMUPFNOVAKG-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997007783 703265277 /nfs/dbraw/zinc/26/52/77/703265277.db2.gz JMWFPQFKBZJAJB-SUMWQHHRSA-N 2 1 333.480 1.007 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997007771 703265285 /nfs/dbraw/zinc/26/52/85/703265285.db2.gz JMWFPQFKBZJAJB-DYVFJYSZSA-N 2 1 333.480 1.007 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001032052849 703396729 /nfs/dbraw/zinc/39/67/29/703396729.db2.gz DLRRNVIGGRFOHF-UHFFFAOYSA-N 2 1 342.443 1.906 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC1CCC1 ZINC001032400144 703411820 /nfs/dbraw/zinc/41/18/20/703411820.db2.gz VPCKAZWNTBQTGH-XYJFISCASA-N 2 1 335.492 1.713 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC1CCC1 ZINC001032400144 703411821 /nfs/dbraw/zinc/41/18/21/703411821.db2.gz VPCKAZWNTBQTGH-XYJFISCASA-N 2 1 335.492 1.713 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032400144 703411822 /nfs/dbraw/zinc/41/18/22/703411822.db2.gz VPCKAZWNTBQTGH-XYJFISCASA-N 2 1 335.492 1.713 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032400144 703411823 /nfs/dbraw/zinc/41/18/23/703411823.db2.gz VPCKAZWNTBQTGH-XYJFISCASA-N 2 1 335.492 1.713 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997183562 703468851 /nfs/dbraw/zinc/46/88/51/703468851.db2.gz KUTSCGWKCYTDHP-OAHLLOKOSA-N 2 1 348.495 1.281 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)no1 ZINC000997185822 703474805 /nfs/dbraw/zinc/47/48/05/703474805.db2.gz FRNWKNIMDFAYRN-GFCCVEGCSA-N 2 1 333.436 1.115 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997185821 703474873 /nfs/dbraw/zinc/47/48/73/703474873.db2.gz SEQHNOAVQKTPSU-HOTGVXAUSA-N 2 1 345.491 1.768 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(F)c(F)c3)CC2)C1 ZINC000997296748 703555335 /nfs/dbraw/zinc/55/53/35/703555335.db2.gz BSFZRTDNVLESLJ-AWEZNQCLSA-N 2 1 337.414 1.997 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC000997297940 703556275 /nfs/dbraw/zinc/55/62/75/703556275.db2.gz HPJGCLWNTJFNJG-MAUKXSAKSA-N 2 1 349.450 1.391 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)c(C)o1 ZINC000997308155 703566337 /nfs/dbraw/zinc/56/63/37/703566337.db2.gz BSDMXTNODORGDS-UHFFFAOYSA-N 2 1 331.420 1.577 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC000997308694 703566425 /nfs/dbraw/zinc/56/64/25/703566425.db2.gz HFBVBSKQBWCQEI-QAPCUYQASA-N 2 1 332.448 1.199 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000997360181 703590650 /nfs/dbraw/zinc/59/06/50/703590650.db2.gz MIGNHVQIVUAMQX-IYBDPMFKSA-N 2 1 347.507 1.416 20 0 EDADMP CCn1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)nn1 ZINC000997361583 703595642 /nfs/dbraw/zinc/59/56/42/703595642.db2.gz WHQWYKQIHUGYOA-GASCZTMLSA-N 2 1 348.495 1.251 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000997365378 703598999 /nfs/dbraw/zinc/59/89/99/703598999.db2.gz UBCHQGQRTUGBBY-INIZCTEOSA-N 2 1 333.480 1.375 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000997366830 703600738 /nfs/dbraw/zinc/60/07/38/703600738.db2.gz NHXUZNZVPKKHGA-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C)C1CCC1 ZINC001032459410 703639178 /nfs/dbraw/zinc/63/91/78/703639178.db2.gz BILKGPVMGXAQLJ-FJIDUMEYSA-N 2 1 337.508 1.673 20 0 EDADMP C[C@@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032474982 703695052 /nfs/dbraw/zinc/69/50/52/703695052.db2.gz CXEFVXFRDDPSDX-PMPSAXMXSA-N 2 1 341.471 1.378 20 0 EDADMP Cc1ncsc1CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001032480330 703721479 /nfs/dbraw/zinc/72/14/79/703721479.db2.gz XIDABSJXOUVCCF-HRCADAONSA-N 2 1 348.516 1.763 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001032480330 703721480 /nfs/dbraw/zinc/72/14/80/703721480.db2.gz XIDABSJXOUVCCF-HRCADAONSA-N 2 1 348.516 1.763 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001032480330 703721481 /nfs/dbraw/zinc/72/14/81/703721481.db2.gz XIDABSJXOUVCCF-HRCADAONSA-N 2 1 348.516 1.763 20 0 EDADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C ZINC001032480330 703721483 /nfs/dbraw/zinc/72/14/83/703721483.db2.gz XIDABSJXOUVCCF-HRCADAONSA-N 2 1 348.516 1.763 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997588577 703876865 /nfs/dbraw/zinc/87/68/65/703876865.db2.gz XZSUGRGIZSKVNM-DOTOQJQBSA-N 2 1 325.497 1.458 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000997608313 703905252 /nfs/dbraw/zinc/90/52/52/703905252.db2.gz UQBDQWPTIGFDKS-OAHLLOKOSA-N 2 1 347.463 1.369 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000997608313 703905253 /nfs/dbraw/zinc/90/52/53/703905253.db2.gz UQBDQWPTIGFDKS-OAHLLOKOSA-N 2 1 347.463 1.369 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC[NH+](CCO)CC1 ZINC000997617058 703918450 /nfs/dbraw/zinc/91/84/50/703918450.db2.gz AMPJZIBIEYHDPU-YJBOKZPZSA-N 2 1 337.508 1.602 20 0 EDADMP CCn1nncc1C[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001004205067 703944278 /nfs/dbraw/zinc/94/42/78/703944278.db2.gz YPPPBFOTEGMDEI-HUUCEWRRSA-N 2 1 348.495 1.251 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997641517 703949742 /nfs/dbraw/zinc/94/97/42/703949742.db2.gz FWUXTRWVFLWSDQ-YJBOKZPZSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1 ZINC000997652764 703967834 /nfs/dbraw/zinc/96/78/34/703967834.db2.gz FFGKWBIBILFUGO-RDJZCZTQSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CC[NH+](CC2CC2)CC1 ZINC000997653717 703970568 /nfs/dbraw/zinc/97/05/68/703970568.db2.gz PUEMKMCJONHJBK-ZDUSSCGKSA-N 2 1 334.464 1.977 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033068798 704080136 /nfs/dbraw/zinc/08/01/36/704080136.db2.gz DDUKRMANXWVUPR-ZWKOTPCHSA-N 2 1 347.507 1.368 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001033068798 704080137 /nfs/dbraw/zinc/08/01/37/704080137.db2.gz DDUKRMANXWVUPR-ZWKOTPCHSA-N 2 1 347.507 1.368 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001033068798 704080138 /nfs/dbraw/zinc/08/01/38/704080138.db2.gz DDUKRMANXWVUPR-ZWKOTPCHSA-N 2 1 347.507 1.368 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001033082900 704140777 /nfs/dbraw/zinc/14/07/77/704140777.db2.gz VRAIPXHYKIDELO-ROUUACIJSA-N 2 1 343.475 1.160 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001033082900 704140779 /nfs/dbraw/zinc/14/07/79/704140779.db2.gz VRAIPXHYKIDELO-ROUUACIJSA-N 2 1 343.475 1.160 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033079928 704143945 /nfs/dbraw/zinc/14/39/45/704143945.db2.gz AIWKOBGSROZZDC-ROUUACIJSA-N 2 1 328.460 1.456 20 0 EDADMP CC[C@H](F)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033083977 704153053 /nfs/dbraw/zinc/15/30/53/704153053.db2.gz DCNGCDMQOJFRHV-GJZGRUSLSA-N 2 1 339.459 1.339 20 0 EDADMP CC[C@H](F)C[N@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033083977 704153055 /nfs/dbraw/zinc/15/30/55/704153055.db2.gz DCNGCDMQOJFRHV-GJZGRUSLSA-N 2 1 339.459 1.339 20 0 EDADMP CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946591341 704191987 /nfs/dbraw/zinc/19/19/87/704191987.db2.gz UCOLPBBKYQAVHY-OQIJWPOYSA-N 2 1 349.519 1.534 20 0 EDADMP CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598130 704298968 /nfs/dbraw/zinc/29/89/68/704298968.db2.gz YKJFLHYXMZDZTR-XMTFNYHQSA-N 2 1 335.492 1.430 20 0 EDADMP CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598130 704298971 /nfs/dbraw/zinc/29/89/71/704298971.db2.gz YKJFLHYXMZDZTR-XMTFNYHQSA-N 2 1 335.492 1.430 20 0 EDADMP CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598130 704298974 /nfs/dbraw/zinc/29/89/74/704298974.db2.gz YKJFLHYXMZDZTR-XMTFNYHQSA-N 2 1 335.492 1.430 20 0 EDADMP O=C(NCc1ccc2c[nH+]cn2c1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000922834306 704399584 /nfs/dbraw/zinc/39/95/84/704399584.db2.gz JWVOUZIDULVHTK-JKSUJKDBSA-N 2 1 345.472 1.713 20 0 EDADMP O=C(NCc1ccc2c[nH+]cn2c1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000922835681 704401423 /nfs/dbraw/zinc/40/14/23/704401423.db2.gz ZAESRKQFIUZESH-QGZVFWFLSA-N 2 1 343.431 1.387 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)oc1C ZINC000947936682 704669446 /nfs/dbraw/zinc/66/94/46/704669446.db2.gz XTGJHPOERNNOQC-XJKSGUPXSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)oc1C ZINC000947936682 704669447 /nfs/dbraw/zinc/66/94/47/704669447.db2.gz XTGJHPOERNNOQC-XJKSGUPXSA-N 2 1 346.475 1.856 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)CC[N@H+]1C ZINC000997791894 704700343 /nfs/dbraw/zinc/70/03/43/704700343.db2.gz AXWDSVLNCICRBK-JKSUJKDBSA-N 2 1 335.452 1.128 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3nnc(C)o3)CC2)CC[N@H+]1C ZINC000997793562 704706410 /nfs/dbraw/zinc/70/64/10/704706410.db2.gz QVILTANYHHNVOL-JKSUJKDBSA-N 2 1 349.479 1.437 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000997862907 704770453 /nfs/dbraw/zinc/77/04/53/704770453.db2.gz ZQAPOFKGBXPHQA-MRXNPFEDSA-N 2 1 336.505 1.956 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000997864402 704771109 /nfs/dbraw/zinc/77/11/09/704771109.db2.gz GYEROHLXNNDJKO-CZUORRHYSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC000997864402 704771110 /nfs/dbraw/zinc/77/11/10/704771110.db2.gz GYEROHLXNNDJKO-CZUORRHYSA-N 2 1 349.479 1.752 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997861433 704771725 /nfs/dbraw/zinc/77/17/25/704771725.db2.gz RZMLQVJJCUHSGW-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC(C)(C)C)C1 ZINC001032587780 705115639 /nfs/dbraw/zinc/11/56/39/705115639.db2.gz TZFKRWUVYGIUAL-YESZJQIVSA-N 2 1 337.508 1.817 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC(C)(C)C)C1 ZINC001032587780 705115640 /nfs/dbraw/zinc/11/56/40/705115640.db2.gz TZFKRWUVYGIUAL-YESZJQIVSA-N 2 1 337.508 1.817 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(C)(C)C)C1 ZINC001032587780 705115641 /nfs/dbraw/zinc/11/56/41/705115641.db2.gz TZFKRWUVYGIUAL-YESZJQIVSA-N 2 1 337.508 1.817 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(C)(C)C)C1 ZINC001032587780 705115643 /nfs/dbraw/zinc/11/56/43/705115643.db2.gz TZFKRWUVYGIUAL-YESZJQIVSA-N 2 1 337.508 1.817 20 0 EDADMP CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CCC[N@@H+](CC)CC1 ZINC000998008047 705167036 /nfs/dbraw/zinc/16/70/36/705167036.db2.gz QVOOBQLAORNLMH-INIZCTEOSA-N 2 1 335.496 1.781 20 0 EDADMP C[NH+]1CCC(C(=O)N2CCC(C[NH2+]Cc3cnsn3)CC2)CC1 ZINC000998030091 705213597 /nfs/dbraw/zinc/21/35/97/705213597.db2.gz DYZCKTLCLLPQKI-UHFFFAOYSA-N 2 1 337.493 1.208 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000998066938 705279348 /nfs/dbraw/zinc/27/93/48/705279348.db2.gz RENGQJBGPWUIDC-SFANZJOMSA-N 2 1 349.519 1.961 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000998066938 705279350 /nfs/dbraw/zinc/27/93/50/705279350.db2.gz RENGQJBGPWUIDC-SFANZJOMSA-N 2 1 349.519 1.961 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000998066938 705279354 /nfs/dbraw/zinc/27/93/54/705279354.db2.gz RENGQJBGPWUIDC-SFANZJOMSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998082561 705309824 /nfs/dbraw/zinc/30/98/24/705309824.db2.gz QSERIENWVRWZJV-QAPCUYQASA-N 2 1 330.476 1.608 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998082553 705310340 /nfs/dbraw/zinc/31/03/40/705310340.db2.gz QSERIENWVRWZJV-CRAIPNDOSA-N 2 1 330.476 1.608 20 0 EDADMP CCn1ccc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000998083016 705310823 /nfs/dbraw/zinc/31/08/23/705310823.db2.gz STICFFFLDOOQMV-INIZCTEOSA-N 2 1 347.507 1.573 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000998083030 705310874 /nfs/dbraw/zinc/31/08/74/705310874.db2.gz SXXVUWPWGLXALE-HNNXBMFYSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3cscn3)CC2)C1 ZINC000998083004 705311074 /nfs/dbraw/zinc/31/10/74/705311074.db2.gz SNMIQRBRTYFBHY-AWEZNQCLSA-N 2 1 336.505 1.813 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CC(C)(C)CO1)[NH+](C)C ZINC001032611549 705579735 /nfs/dbraw/zinc/57/97/35/705579735.db2.gz NJWLGCKMTPYMND-MWDXBVQZSA-N 2 1 337.508 1.673 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CC(C)(C)CO1)[NH+](C)C ZINC001032611549 705579737 /nfs/dbraw/zinc/57/97/37/705579737.db2.gz NJWLGCKMTPYMND-MWDXBVQZSA-N 2 1 337.508 1.673 20 0 EDADMP CC(C)n1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998265931 705637571 /nfs/dbraw/zinc/63/75/71/705637571.db2.gz NESLDGJJNDTIAH-QGZVFWFLSA-N 2 1 347.507 1.744 20 0 EDADMP COc1cc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)on1 ZINC000998269910 705646801 /nfs/dbraw/zinc/64/68/01/705646801.db2.gz QSPRQJDKTVHGGQ-UHFFFAOYSA-N 2 1 347.419 1.217 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000998273334 705653184 /nfs/dbraw/zinc/65/31/84/705653184.db2.gz OJVPEUMRJSJPIV-INIZCTEOSA-N 2 1 334.439 1.501 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000998289360 705686722 /nfs/dbraw/zinc/68/67/22/705686722.db2.gz IGKBTBHAOFDFRW-QZTJIDSGSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1 ZINC000998309103 705715226 /nfs/dbraw/zinc/71/52/26/705715226.db2.gz CVGXNTJMGMUOFH-KBPBESRZSA-N 2 1 344.381 1.971 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCOCC1 ZINC001032627489 705731073 /nfs/dbraw/zinc/73/10/73/705731073.db2.gz YAIHOIMVGGQCER-NJAFHUGGSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032627489 705731076 /nfs/dbraw/zinc/73/10/76/705731076.db2.gz YAIHOIMVGGQCER-NJAFHUGGSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032627489 705731078 /nfs/dbraw/zinc/73/10/78/705731078.db2.gz YAIHOIMVGGQCER-NJAFHUGGSA-N 2 1 335.492 1.573 20 0 EDADMP COc1nscc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998547840 705980354 /nfs/dbraw/zinc/98/03/54/705980354.db2.gz BAFFFSWZSAPXNU-RUXDESIVSA-N 2 1 338.477 1.325 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000998555207 705993704 /nfs/dbraw/zinc/99/37/04/705993704.db2.gz DDKLQQRMDXAFMP-YMAMQOFZSA-N 2 1 336.867 1.908 20 0 EDADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000998584247 706020900 /nfs/dbraw/zinc/02/09/00/706020900.db2.gz COJUVNBJTDCDTI-DAWZGUTISA-N 2 1 331.460 1.405 20 0 EDADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000998584247 706020902 /nfs/dbraw/zinc/02/09/02/706020902.db2.gz COJUVNBJTDCDTI-DAWZGUTISA-N 2 1 331.460 1.405 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC000998587991 706027251 /nfs/dbraw/zinc/02/72/51/706027251.db2.gz WUMWFEJDQKXBLF-DAWZGUTISA-N 2 1 335.492 1.787 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC000998587991 706027254 /nfs/dbraw/zinc/02/72/54/706027254.db2.gz WUMWFEJDQKXBLF-DAWZGUTISA-N 2 1 335.492 1.787 20 0 EDADMP CCc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998724629 706156128 /nfs/dbraw/zinc/15/61/28/706156128.db2.gz UZWBGVOLXFNBAM-WMLDXEAASA-N 2 1 334.464 1.720 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC000998721547 706157310 /nfs/dbraw/zinc/15/73/10/706157310.db2.gz MRRMCKHZPREVEA-VXGBXAGGSA-N 2 1 342.896 1.971 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC000998721547 706157311 /nfs/dbraw/zinc/15/73/11/706157311.db2.gz MRRMCKHZPREVEA-VXGBXAGGSA-N 2 1 342.896 1.971 20 0 EDADMP Cc1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998815755 706257719 /nfs/dbraw/zinc/25/77/19/706257719.db2.gz APHNDTBNBTVGFT-ROUUACIJSA-N 2 1 331.460 1.406 20 0 EDADMP Cc1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998815755 706257721 /nfs/dbraw/zinc/25/77/21/706257721.db2.gz APHNDTBNBTVGFT-ROUUACIJSA-N 2 1 331.460 1.406 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1CC(NCc2cnon2)C1 ZINC000998902817 706339573 /nfs/dbraw/zinc/33/95/73/706339573.db2.gz YPCSEAZNXRCPNN-SIWZUTFBSA-N 2 1 335.452 1.412 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1CC([NH2+]Cc2cnon2)C1 ZINC000998902817 706339574 /nfs/dbraw/zinc/33/95/74/706339574.db2.gz YPCSEAZNXRCPNN-SIWZUTFBSA-N 2 1 335.452 1.412 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1CC([NH2+]Cc2cnon2)C1 ZINC000998902817 706339578 /nfs/dbraw/zinc/33/95/78/706339578.db2.gz YPCSEAZNXRCPNN-SIWZUTFBSA-N 2 1 335.452 1.412 20 0 EDADMP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)C1CC([NH2+]Cc2cccnc2)C1 ZINC000998902872 706339620 /nfs/dbraw/zinc/33/96/20/706339620.db2.gz ZLXVUKZZVWKLIX-OFLPRAFFSA-N 2 1 339.443 1.935 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946517913 706554868 /nfs/dbraw/zinc/55/48/68/706554868.db2.gz MBFOERVUPPTXPH-WNRNVDISSA-N 2 1 335.492 1.288 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946517913 706554869 /nfs/dbraw/zinc/55/48/69/706554869.db2.gz MBFOERVUPPTXPH-WNRNVDISSA-N 2 1 335.492 1.288 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946517913 706554871 /nfs/dbraw/zinc/55/48/71/706554871.db2.gz MBFOERVUPPTXPH-WNRNVDISSA-N 2 1 335.492 1.288 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)co1 ZINC000999143705 706557280 /nfs/dbraw/zinc/55/72/80/706557280.db2.gz IDELCHSZOBAYTJ-DOTOQJQBSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)co1 ZINC000999143705 706557284 /nfs/dbraw/zinc/55/72/84/706557284.db2.gz IDELCHSZOBAYTJ-DOTOQJQBSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC000999144237 706557688 /nfs/dbraw/zinc/55/76/88/706557688.db2.gz KJUKGUOPRJVMFD-WBVHZDCISA-N 2 1 334.464 1.936 20 0 EDADMP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999145979 706559435 /nfs/dbraw/zinc/55/94/35/706559435.db2.gz TZUJKICQVBSDLC-CVEARBPZSA-N 2 1 334.464 1.936 20 0 EDADMP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ncccn1 ZINC000999354771 706843826 /nfs/dbraw/zinc/84/38/26/706843826.db2.gz RXSZELQCEAATCF-CABCVRRESA-N 2 1 331.464 1.603 20 0 EDADMP Cc1nnsc1C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999377564 706871727 /nfs/dbraw/zinc/87/17/27/706871727.db2.gz NMASBRZMZBBBCX-ZDUSSCGKSA-N 2 1 337.493 1.411 20 0 EDADMP Cc1ccncc1C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999365178 706878396 /nfs/dbraw/zinc/87/83/96/706878396.db2.gz PTQILLOHEHSYTB-KRWDZBQOSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)oc1C ZINC000999372112 706886402 /nfs/dbraw/zinc/88/64/02/706886402.db2.gz OEIQOSBBBAAXNJ-WBVHZDCISA-N 2 1 334.464 1.712 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)o1 ZINC000999407516 706916918 /nfs/dbraw/zinc/91/69/18/706916918.db2.gz WECIFYGNYFKVOS-WLYUNCDWSA-N 2 1 349.479 1.756 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)o1 ZINC000999407516 706916920 /nfs/dbraw/zinc/91/69/20/706916920.db2.gz WECIFYGNYFKVOS-WLYUNCDWSA-N 2 1 349.479 1.756 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](NCc2nnc(C3CC3)o2)C1 ZINC000999508975 707006066 /nfs/dbraw/zinc/00/60/66/707006066.db2.gz IBVVDBURPSADGJ-GJZGRUSLSA-N 2 1 347.463 1.512 20 0 EDADMP CN1CCCC[C@H]1C(=O)N1CCC[C@H](NCc2nnc(C3CC3)o2)C1 ZINC000999508975 707006067 /nfs/dbraw/zinc/00/60/67/707006067.db2.gz IBVVDBURPSADGJ-GJZGRUSLSA-N 2 1 347.463 1.512 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000999571836 707077705 /nfs/dbraw/zinc/07/77/05/707077705.db2.gz AIAUHNPUJIPKDB-ZWKOTPCHSA-N 2 1 347.507 1.584 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999687025 707239794 /nfs/dbraw/zinc/23/97/94/707239794.db2.gz DJAJDIBCQKQTFL-QQFBHYJXSA-N 2 1 348.491 1.966 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)sn1 ZINC000999687772 707241595 /nfs/dbraw/zinc/24/15/95/707241595.db2.gz JQKWXMPQGOXWGE-NFOMZHRRSA-N 2 1 336.505 1.872 20 0 EDADMP CCn1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999690076 707246168 /nfs/dbraw/zinc/24/61/68/707246168.db2.gz VEQNAJWSVJFKBH-QQFBHYJXSA-N 2 1 348.495 1.027 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000999727541 707270112 /nfs/dbraw/zinc/27/01/12/707270112.db2.gz QCEUFXNQFSPPTQ-ZWKOTPCHSA-N 2 1 348.491 1.713 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cnccn2)C1 ZINC000999706480 707297436 /nfs/dbraw/zinc/29/74/36/707297436.db2.gz AONTVSZBKRYJCG-GJZGRUSLSA-N 2 1 328.420 1.323 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)COC)C[C@H]2CC1)[NH+](C)C ZINC000946784401 707309020 /nfs/dbraw/zinc/30/90/20/707309020.db2.gz JGNOEWPRRZORSF-NXOAAHMSSA-N 2 1 325.497 1.532 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cnc(Cl)s2)C1 ZINC000999835461 707469305 /nfs/dbraw/zinc/46/93/05/707469305.db2.gz GHEZCSNDYWMQBJ-UNXYVOJBSA-N 2 1 342.896 1.827 20 0 EDADMP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000999836068 707470581 /nfs/dbraw/zinc/47/05/81/707470581.db2.gz IJUFOHGGSZDTLP-UHFFFAOYSA-N 2 1 330.436 1.187 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(C)no2)C1 ZINC000999877008 707525393 /nfs/dbraw/zinc/52/53/93/707525393.db2.gz XKMDDZPGVDBXFA-NRXISQOPSA-N 2 1 335.452 1.331 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(C)no2)C1 ZINC000999877008 707525397 /nfs/dbraw/zinc/52/53/97/707525397.db2.gz XKMDDZPGVDBXFA-NRXISQOPSA-N 2 1 335.452 1.331 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccnn1C ZINC001004890839 707570138 /nfs/dbraw/zinc/57/01/38/707570138.db2.gz DVRCKCNZSNLOTA-NVXWUHKLSA-N 2 1 344.463 1.484 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819189 707584887 /nfs/dbraw/zinc/58/48/87/707584887.db2.gz WAVDFOCZRNLYGS-ZSYWTGECSA-N 2 1 349.519 1.820 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946819189 707584890 /nfs/dbraw/zinc/58/48/90/707584890.db2.gz WAVDFOCZRNLYGS-ZSYWTGECSA-N 2 1 349.519 1.820 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946819189 707584892 /nfs/dbraw/zinc/58/48/92/707584892.db2.gz WAVDFOCZRNLYGS-ZSYWTGECSA-N 2 1 349.519 1.820 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819188 707585170 /nfs/dbraw/zinc/58/51/70/707585170.db2.gz WAVDFOCZRNLYGS-RDGPPVDQSA-N 2 1 349.519 1.820 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC[C@@H]2C1 ZINC000946819188 707585172 /nfs/dbraw/zinc/58/51/72/707585172.db2.gz WAVDFOCZRNLYGS-RDGPPVDQSA-N 2 1 349.519 1.820 20 0 EDADMP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946819188 707585175 /nfs/dbraw/zinc/58/51/75/707585175.db2.gz WAVDFOCZRNLYGS-RDGPPVDQSA-N 2 1 349.519 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC000999975507 707589738 /nfs/dbraw/zinc/58/97/38/707589738.db2.gz UCFYTIKSQQRVJO-IRXDYDNUSA-N 2 1 347.507 1.623 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CC)C2)nn1 ZINC000999987865 707660780 /nfs/dbraw/zinc/66/07/80/707660780.db2.gz QQZYKFOVHVWHAO-HZPDHXFCSA-N 2 1 334.468 1.035 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CC)C2)nn1 ZINC000999987865 707660784 /nfs/dbraw/zinc/66/07/84/707660784.db2.gz QQZYKFOVHVWHAO-HZPDHXFCSA-N 2 1 334.468 1.035 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CC)C2)nn1 ZINC000999987865 707660789 /nfs/dbraw/zinc/66/07/89/707660789.db2.gz QQZYKFOVHVWHAO-HZPDHXFCSA-N 2 1 334.468 1.035 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999993604 707670917 /nfs/dbraw/zinc/67/09/17/707670917.db2.gz WWIIEQNZAFCGFC-IAGOWNOFSA-N 2 1 348.495 1.422 20 0 EDADMP CC(C)[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999993604 707670920 /nfs/dbraw/zinc/67/09/20/707670920.db2.gz WWIIEQNZAFCGFC-IAGOWNOFSA-N 2 1 348.495 1.422 20 0 EDADMP CC(C)[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)nn2)C1 ZINC000999993604 707670922 /nfs/dbraw/zinc/67/09/22/707670922.db2.gz WWIIEQNZAFCGFC-IAGOWNOFSA-N 2 1 348.495 1.422 20 0 EDADMP C[C@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004927938 707672677 /nfs/dbraw/zinc/67/26/77/707672677.db2.gz OPGJWYGQNNFXLT-YOEHRIQHSA-N 2 1 348.495 1.016 20 0 EDADMP CCc1cc(NC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nc(C)[nH+]1 ZINC001060897674 707694764 /nfs/dbraw/zinc/69/47/64/707694764.db2.gz IMUIKDGDLUXTTQ-HNNXBMFYSA-N 2 1 343.475 1.704 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033374088 707711780 /nfs/dbraw/zinc/71/17/80/707711780.db2.gz WMYLVCXOHAMNKC-ZBFHGGJFSA-N 2 1 335.448 1.524 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033374088 707711784 /nfs/dbraw/zinc/71/17/84/707711784.db2.gz WMYLVCXOHAMNKC-ZBFHGGJFSA-N 2 1 335.448 1.524 20 0 EDADMP Cc1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@H+](C)C2)sn1 ZINC001032731855 707735024 /nfs/dbraw/zinc/73/50/24/707735024.db2.gz RJJTUGJYCUYCNJ-ILXRZTDVSA-N 2 1 334.489 1.578 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCOCC1)C12CC[NH+](CC1)C2 ZINC001032733947 707742709 /nfs/dbraw/zinc/74/27/09/707742709.db2.gz NWYZFAMFUDSAEP-ROUUACIJSA-N 2 1 347.503 1.574 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1)C12CC[NH+](CC1)C2 ZINC001032734164 707743991 /nfs/dbraw/zinc/74/39/91/707743991.db2.gz ZMLKGLNAKMEADA-IRXDYDNUSA-N 2 1 333.476 1.184 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033389596 707760047 /nfs/dbraw/zinc/76/00/47/707760047.db2.gz DDAKHZZGYAHUIW-SFHVURJKSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391428 707767077 /nfs/dbraw/zinc/76/70/77/707767077.db2.gz RRSXTDXSLDWMQJ-GOSISDBHSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1noc(CCC[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001033416053 707793117 /nfs/dbraw/zinc/79/31/17/707793117.db2.gz MSBRJHONTPFKBZ-ZBFHGGJFSA-N 2 1 349.479 1.328 20 0 EDADMP Cc1noc(CCC[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033416053 707793120 /nfs/dbraw/zinc/79/31/20/707793120.db2.gz MSBRJHONTPFKBZ-ZBFHGGJFSA-N 2 1 349.479 1.328 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033416053 707793124 /nfs/dbraw/zinc/79/31/24/707793124.db2.gz MSBRJHONTPFKBZ-ZBFHGGJFSA-N 2 1 349.479 1.328 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCC3CCOCC3)C2)C1 ZINC001033419547 707827704 /nfs/dbraw/zinc/82/77/04/707827704.db2.gz JYOUEWPWTCBXIF-FUHWJXTLSA-N 2 1 337.508 1.678 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCC3CCOCC3)C2)C1 ZINC001033419547 707827706 /nfs/dbraw/zinc/82/77/06/707827706.db2.gz JYOUEWPWTCBXIF-FUHWJXTLSA-N 2 1 337.508 1.678 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCOCC3)C2)C1 ZINC001033419547 707827709 /nfs/dbraw/zinc/82/77/09/707827709.db2.gz JYOUEWPWTCBXIF-FUHWJXTLSA-N 2 1 337.508 1.678 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)o1 ZINC001033420476 707831811 /nfs/dbraw/zinc/83/18/11/707831811.db2.gz PPKVAYWXKCKWKZ-BBRMVZONSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)o1 ZINC001033420476 707831814 /nfs/dbraw/zinc/83/18/14/707831814.db2.gz PPKVAYWXKCKWKZ-BBRMVZONSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)o1 ZINC001033420476 707831817 /nfs/dbraw/zinc/83/18/17/707831817.db2.gz PPKVAYWXKCKWKZ-BBRMVZONSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)o1 ZINC001033420476 707831819 /nfs/dbraw/zinc/83/18/19/707831819.db2.gz PPKVAYWXKCKWKZ-BBRMVZONSA-N 2 1 334.464 1.666 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)cn1 ZINC001033423451 707839526 /nfs/dbraw/zinc/83/95/26/707839526.db2.gz NBLFQVYGSYDPBO-SJLPKXTDSA-N 2 1 347.507 1.463 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC001033423451 707839529 /nfs/dbraw/zinc/83/95/29/707839529.db2.gz NBLFQVYGSYDPBO-SJLPKXTDSA-N 2 1 347.507 1.463 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)cn1 ZINC001033423451 707839533 /nfs/dbraw/zinc/83/95/33/707839533.db2.gz NBLFQVYGSYDPBO-SJLPKXTDSA-N 2 1 347.507 1.463 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033427287 707851219 /nfs/dbraw/zinc/85/12/19/707851219.db2.gz ZVOYUOLKYGMYSB-QGZVFWFLSA-N 2 1 347.507 1.227 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033427287 707851222 /nfs/dbraw/zinc/85/12/22/707851222.db2.gz ZVOYUOLKYGMYSB-QGZVFWFLSA-N 2 1 347.507 1.227 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033427287 707851228 /nfs/dbraw/zinc/85/12/28/707851228.db2.gz ZVOYUOLKYGMYSB-QGZVFWFLSA-N 2 1 347.507 1.227 20 0 EDADMP Cc1noc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)n1 ZINC001004981251 707858656 /nfs/dbraw/zinc/85/86/56/707858656.db2.gz MHADBMXXIYXSLC-DZGCQCFKSA-N 2 1 347.463 1.333 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@@H]1CC[N@H+](CCF)C1 ZINC001033441819 707871898 /nfs/dbraw/zinc/87/18/98/707871898.db2.gz HRDBLWONSAWKHA-KURKYZTESA-N 2 1 333.451 1.834 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033441819 707871903 /nfs/dbraw/zinc/87/19/03/707871903.db2.gz HRDBLWONSAWKHA-KURKYZTESA-N 2 1 333.451 1.834 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CC[NH+](CCF)C1 ZINC001033441819 707871907 /nfs/dbraw/zinc/87/19/07/707871907.db2.gz HRDBLWONSAWKHA-KURKYZTESA-N 2 1 333.451 1.834 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CC[NH+](CCF)C1 ZINC001033441819 707871912 /nfs/dbraw/zinc/87/19/12/707871912.db2.gz HRDBLWONSAWKHA-KURKYZTESA-N 2 1 333.451 1.834 20 0 EDADMP CC(C)[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CC2)CC1 ZINC001000213930 707876088 /nfs/dbraw/zinc/87/60/88/707876088.db2.gz KXUDXEVFBYLFSV-RMXPPQQLSA-N 2 1 347.503 1.619 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000921720006 707900385 /nfs/dbraw/zinc/90/03/85/707900385.db2.gz YJUCRKKFVCGEKT-UHFFFAOYSA-N 2 1 329.510 1.407 20 0 EDADMP Cc1ccccc1OCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032780821 707965306 /nfs/dbraw/zinc/96/53/06/707965306.db2.gz DSQBFAXNLQMYKJ-BZSNNMDCSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1ccccc1OCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032780821 707965310 /nfs/dbraw/zinc/96/53/10/707965310.db2.gz DSQBFAXNLQMYKJ-BZSNNMDCSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1ccccc1OCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032780821 707965311 /nfs/dbraw/zinc/96/53/11/707965311.db2.gz DSQBFAXNLQMYKJ-BZSNNMDCSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1ccccc1OCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032780821 707965314 /nfs/dbraw/zinc/96/53/14/707965314.db2.gz DSQBFAXNLQMYKJ-BZSNNMDCSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1ccccc1OCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032780821 707965317 /nfs/dbraw/zinc/96/53/17/707965317.db2.gz DSQBFAXNLQMYKJ-BZSNNMDCSA-N 2 1 343.471 1.611 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2Cc2ccccc2)CC[N@@H+]1C ZINC000925348340 708064193 /nfs/dbraw/zinc/06/41/93/708064193.db2.gz KBGSNFODRZGZPV-BPQIPLTHSA-N 2 1 330.476 1.647 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2Cc2ccccc2)CC[N@H+]1C ZINC000925348340 708064194 /nfs/dbraw/zinc/06/41/94/708064194.db2.gz KBGSNFODRZGZPV-BPQIPLTHSA-N 2 1 330.476 1.647 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC[NH+]1C ZINC000925348340 708064195 /nfs/dbraw/zinc/06/41/95/708064195.db2.gz KBGSNFODRZGZPV-BPQIPLTHSA-N 2 1 330.476 1.647 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC[NH+]1C ZINC000925348340 708064196 /nfs/dbraw/zinc/06/41/96/708064196.db2.gz KBGSNFODRZGZPV-BPQIPLTHSA-N 2 1 330.476 1.647 20 0 EDADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCCOC1 ZINC001032802231 708085494 /nfs/dbraw/zinc/08/54/94/708085494.db2.gz RICGRTRZXTZIJV-SQNIBIBYSA-N 2 1 335.492 1.574 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC1CCC1 ZINC001032802710 708089238 /nfs/dbraw/zinc/08/92/38/708089238.db2.gz KUGLEDRIAMNDTM-BQFCYCMXSA-N 2 1 335.492 1.715 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC1CCC1 ZINC001032802710 708089242 /nfs/dbraw/zinc/08/92/42/708089242.db2.gz KUGLEDRIAMNDTM-BQFCYCMXSA-N 2 1 335.492 1.715 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032802710 708089246 /nfs/dbraw/zinc/08/92/46/708089246.db2.gz KUGLEDRIAMNDTM-BQFCYCMXSA-N 2 1 335.492 1.715 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032802710 708089250 /nfs/dbraw/zinc/08/92/50/708089250.db2.gz KUGLEDRIAMNDTM-BQFCYCMXSA-N 2 1 335.492 1.715 20 0 EDADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033594550 708296839 /nfs/dbraw/zinc/29/68/39/708296839.db2.gz NNRBGICGCGKNGS-LSDHHAIUSA-N 2 1 336.505 1.560 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC001033594550 708296840 /nfs/dbraw/zinc/29/68/40/708296840.db2.gz NNRBGICGCGKNGS-LSDHHAIUSA-N 2 1 336.505 1.560 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC001033594550 708296843 /nfs/dbraw/zinc/29/68/43/708296843.db2.gz NNRBGICGCGKNGS-LSDHHAIUSA-N 2 1 336.505 1.560 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)co1 ZINC001001794579 708309158 /nfs/dbraw/zinc/30/91/58/708309158.db2.gz HPLCVVORDUGBFF-UHFFFAOYSA-N 2 1 334.464 1.653 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2F)C1 ZINC001033665746 708448995 /nfs/dbraw/zinc/44/89/95/708448995.db2.gz QMNKZWVEPGBMQZ-MAUKXSAKSA-N 2 1 349.450 1.488 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2F)C1 ZINC001033665746 708448997 /nfs/dbraw/zinc/44/89/97/708448997.db2.gz QMNKZWVEPGBMQZ-MAUKXSAKSA-N 2 1 349.450 1.488 20 0 EDADMP CCc1onc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033666245 708450520 /nfs/dbraw/zinc/45/05/20/708450520.db2.gz VHFWNXXEWSQCBD-OAHLLOKOSA-N 2 1 334.464 1.674 20 0 EDADMP CCc1onc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033666245 708450523 /nfs/dbraw/zinc/45/05/23/708450523.db2.gz VHFWNXXEWSQCBD-OAHLLOKOSA-N 2 1 334.464 1.674 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001033670203 708460374 /nfs/dbraw/zinc/46/03/74/708460374.db2.gz UPVZKXXCXSRLNQ-SJORKVTESA-N 2 1 334.464 1.683 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001033670203 708460377 /nfs/dbraw/zinc/46/03/77/708460377.db2.gz UPVZKXXCXSRLNQ-SJORKVTESA-N 2 1 334.464 1.683 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033658765 708469919 /nfs/dbraw/zinc/46/99/19/708469919.db2.gz UHAGGDCTFDCEFW-MSOLQXFVSA-N 2 1 337.508 1.556 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001033660586 708473418 /nfs/dbraw/zinc/47/34/18/708473418.db2.gz IPVVWUSJRUNUPG-HUUCEWRRSA-N 2 1 342.443 1.812 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001033660586 708473420 /nfs/dbraw/zinc/47/34/20/708473420.db2.gz IPVVWUSJRUNUPG-HUUCEWRRSA-N 2 1 342.443 1.812 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2nc3ccccc3o2)C1 ZINC001033660586 708473422 /nfs/dbraw/zinc/47/34/22/708473422.db2.gz IPVVWUSJRUNUPG-HUUCEWRRSA-N 2 1 342.443 1.812 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2nc3ccccc3o2)C1 ZINC001033660586 708473425 /nfs/dbraw/zinc/47/34/25/708473425.db2.gz IPVVWUSJRUNUPG-HUUCEWRRSA-N 2 1 342.443 1.812 20 0 EDADMP O=C(NCC1CC[NH+](CCF)CC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001001976145 708491137 /nfs/dbraw/zinc/49/11/37/708491137.db2.gz YTLFWVNNKUIWLZ-UHFFFAOYSA-N 2 1 331.395 1.679 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CCCO)C2)o1 ZINC001033696954 708510671 /nfs/dbraw/zinc/51/06/71/708510671.db2.gz ADXJUXWGZRNUPM-OAHLLOKOSA-N 2 1 337.464 1.650 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002121180 708634953 /nfs/dbraw/zinc/63/49/53/708634953.db2.gz PGPAXEXJYJOMSG-INIZCTEOSA-N 2 1 334.464 1.571 20 0 EDADMP Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)c(C)n1 ZINC001002121598 708635424 /nfs/dbraw/zinc/63/54/24/708635424.db2.gz RXVHUESMKVHMCN-IBGZPJMESA-N 2 1 344.503 1.978 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](CCc3ccns3)CC2)C1 ZINC001002124614 708639652 /nfs/dbraw/zinc/63/96/52/708639652.db2.gz GZDPOPMPJBXEPF-HNNXBMFYSA-N 2 1 336.505 1.466 20 0 EDADMP CCN(C(=O)[C@@H]1CN(C)CCO1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033789418 708700113 /nfs/dbraw/zinc/70/01/13/708700113.db2.gz NXWAASOTXKICTK-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(Cc2cc(OC)no2)C1 ZINC001033777012 708704238 /nfs/dbraw/zinc/70/42/38/708704238.db2.gz SECRWPNZLNDOGL-UKRRQHHQSA-N 2 1 336.436 1.200 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C1=CC[NH+](C)CC1 ZINC000921880188 708770390 /nfs/dbraw/zinc/77/03/90/708770390.db2.gz IGIAHRNNRVECHC-IMJJTQAJSA-N 2 1 338.521 1.516 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)C1=CC[N@H+](C)CC1 ZINC000921880188 708770391 /nfs/dbraw/zinc/77/03/91/708770391.db2.gz IGIAHRNNRVECHC-IMJJTQAJSA-N 2 1 338.521 1.516 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)C1=CC[N@@H+](C)CC1 ZINC000921880188 708770393 /nfs/dbraw/zinc/77/03/93/708770393.db2.gz IGIAHRNNRVECHC-IMJJTQAJSA-N 2 1 338.521 1.516 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001033830731 708852592 /nfs/dbraw/zinc/85/25/92/708852592.db2.gz MKMARVKWIAVPOQ-WMZOPIPTSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001033830731 708852594 /nfs/dbraw/zinc/85/25/94/708852594.db2.gz MKMARVKWIAVPOQ-WMZOPIPTSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1nocc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005407188 708937121 /nfs/dbraw/zinc/93/71/21/708937121.db2.gz MYEBEZFBWFEGSL-RHSMWYFYSA-N 2 1 334.464 1.746 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC[NH+](CCC2CC2)CC1 ZINC001005423897 708941726 /nfs/dbraw/zinc/94/17/26/708941726.db2.gz GOZTUYFMTICTPY-ROUUACIJSA-N 2 1 335.492 1.573 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)sc1C ZINC001002445028 708965561 /nfs/dbraw/zinc/96/55/61/708965561.db2.gz RSZBYGFIECRNGA-OAHLLOKOSA-N 2 1 336.505 1.935 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)sc1C ZINC001002445028 708965563 /nfs/dbraw/zinc/96/55/63/708965563.db2.gz RSZBYGFIECRNGA-OAHLLOKOSA-N 2 1 336.505 1.935 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC001033897563 709017152 /nfs/dbraw/zinc/01/71/52/709017152.db2.gz LLACGXVDVAHZPU-YOEHRIQHSA-N 2 1 330.432 1.906 20 0 EDADMP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC001002524998 709080264 /nfs/dbraw/zinc/08/02/64/709080264.db2.gz XWKZGWRIRGKPOP-SFHVURJKSA-N 2 1 331.460 1.406 20 0 EDADMP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC001002524998 709080267 /nfs/dbraw/zinc/08/02/67/709080267.db2.gz XWKZGWRIRGKPOP-SFHVURJKSA-N 2 1 331.460 1.406 20 0 EDADMP CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033939286 709144472 /nfs/dbraw/zinc/14/44/72/709144472.db2.gz GPBQYLAFAQDKHH-DOTOQJQBSA-N 2 1 334.464 1.059 20 0 EDADMP CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033939286 709144473 /nfs/dbraw/zinc/14/44/73/709144473.db2.gz GPBQYLAFAQDKHH-DOTOQJQBSA-N 2 1 334.464 1.059 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001033940931 709147198 /nfs/dbraw/zinc/14/71/98/709147198.db2.gz LRSPEKTWXKLMJY-SJLPKXTDSA-N 2 1 337.508 1.678 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001033941664 709148583 /nfs/dbraw/zinc/14/85/83/709148583.db2.gz RQMSWXLHGDWFKE-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001033989143 709195220 /nfs/dbraw/zinc/19/52/20/709195220.db2.gz LKFJFHWEUNLJBO-WMLDXEAASA-N 2 1 346.475 1.158 20 0 EDADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001033989143 709195222 /nfs/dbraw/zinc/19/52/22/709195222.db2.gz LKFJFHWEUNLJBO-WMLDXEAASA-N 2 1 346.475 1.158 20 0 EDADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033988367 709218430 /nfs/dbraw/zinc/21/84/30/709218430.db2.gz DEVWFBLJEIENBD-KRWDZBQOSA-N 2 1 346.475 1.031 20 0 EDADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033988367 709218432 /nfs/dbraw/zinc/21/84/32/709218432.db2.gz DEVWFBLJEIENBD-KRWDZBQOSA-N 2 1 346.475 1.031 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC001034037793 709270071 /nfs/dbraw/zinc/27/00/71/709270071.db2.gz FMEHWUFAZODQNN-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cnc(C)s2)C1 ZINC001034037793 709270073 /nfs/dbraw/zinc/27/00/73/709270073.db2.gz FMEHWUFAZODQNN-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cnc(C)s2)C1 ZINC001034037793 709270074 /nfs/dbraw/zinc/27/00/74/709270074.db2.gz FMEHWUFAZODQNN-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034042306 709292419 /nfs/dbraw/zinc/29/24/19/709292419.db2.gz MXXUTWMZUOAMPZ-ZBFHGGJFSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034042306 709292420 /nfs/dbraw/zinc/29/24/20/709292420.db2.gz MXXUTWMZUOAMPZ-ZBFHGGJFSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034042306 709292421 /nfs/dbraw/zinc/29/24/21/709292421.db2.gz MXXUTWMZUOAMPZ-ZBFHGGJFSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034042306 709292422 /nfs/dbraw/zinc/29/24/22/709292422.db2.gz MXXUTWMZUOAMPZ-ZBFHGGJFSA-N 2 1 334.464 1.612 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702122600 709335915 /nfs/dbraw/zinc/33/59/15/709335915.db2.gz NGCYQAUGKRWPTG-JENIJYKNSA-N 2 1 331.460 1.331 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC1([NH+](C)C)CC1 ZINC000921991931 709380511 /nfs/dbraw/zinc/38/05/11/709380511.db2.gz TTYSQSDZJUGHLZ-DOTOQJQBSA-N 2 1 330.476 1.900 20 0 EDADMP Cc1ccccc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034149695 709421624 /nfs/dbraw/zinc/42/16/24/709421624.db2.gz ZGRXOZAOUPDCKE-MOPGFXCFSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034149695 709421626 /nfs/dbraw/zinc/42/16/26/709421626.db2.gz ZGRXOZAOUPDCKE-MOPGFXCFSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149695 709421628 /nfs/dbraw/zinc/42/16/28/709421628.db2.gz ZGRXOZAOUPDCKE-MOPGFXCFSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149695 709421629 /nfs/dbraw/zinc/42/16/29/709421629.db2.gz ZGRXOZAOUPDCKE-MOPGFXCFSA-N 2 1 345.487 1.796 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001002822976 709432873 /nfs/dbraw/zinc/43/28/73/709432873.db2.gz JOCRFCFUFUBZQV-CVEARBPZSA-N 2 1 337.508 1.602 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1 ZINC001034228411 709583742 /nfs/dbraw/zinc/58/37/42/709583742.db2.gz DXDUGAFREURYNH-OAHLLOKOSA-N 2 1 339.505 1.776 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1 ZINC001034228411 709583746 /nfs/dbraw/zinc/58/37/46/709583746.db2.gz DXDUGAFREURYNH-OAHLLOKOSA-N 2 1 339.505 1.776 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001002953774 709653836 /nfs/dbraw/zinc/65/38/36/709653836.db2.gz CIUOKBNTCBXZLM-KRWDZBQOSA-N 2 1 333.480 1.375 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001002953774 709653839 /nfs/dbraw/zinc/65/38/39/709653839.db2.gz CIUOKBNTCBXZLM-KRWDZBQOSA-N 2 1 333.480 1.375 20 0 EDADMP CC(C)(C)[NH2+]CCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702603898 709700760 /nfs/dbraw/zinc/70/07/60/709700760.db2.gz OUTKXJAUQDPIJG-IBGZPJMESA-N 2 1 333.476 1.518 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](CCc2ccns2)C1 ZINC001034310658 709754347 /nfs/dbraw/zinc/75/43/47/709754347.db2.gz ZVUDZYGGNZZLEJ-OAHLLOKOSA-N 2 1 347.488 1.861 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](CCc2ccns2)C1 ZINC001034310658 709754349 /nfs/dbraw/zinc/75/43/49/709754349.db2.gz ZVUDZYGGNZZLEJ-OAHLLOKOSA-N 2 1 347.488 1.861 20 0 EDADMP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)[C@H]1CCCc2[nH+]ccn21 ZINC001003016080 709803658 /nfs/dbraw/zinc/80/36/58/709803658.db2.gz JDEBLXMSQGIBGL-DOTOQJQBSA-N 2 1 346.475 1.768 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034368809 709853551 /nfs/dbraw/zinc/85/35/51/709853551.db2.gz QBXJBBTZBBTDBR-IRXDYDNUSA-N 2 1 325.497 1.462 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCCC[N@H+](CCCO)C2)C1 ZINC001034368809 709853554 /nfs/dbraw/zinc/85/35/54/709853554.db2.gz QBXJBBTZBBTDBR-IRXDYDNUSA-N 2 1 325.497 1.462 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)C1 ZINC001034368809 709853559 /nfs/dbraw/zinc/85/35/59/709853559.db2.gz QBXJBBTZBBTDBR-IRXDYDNUSA-N 2 1 325.497 1.462 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CCCC[N@@H+](CCO)C2)cc1 ZINC001034406207 709922084 /nfs/dbraw/zinc/92/20/84/709922084.db2.gz YEWYSISVUXHQMB-SFHVURJKSA-N 2 1 333.476 1.367 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034393872 709928583 /nfs/dbraw/zinc/92/85/83/709928583.db2.gz GYJBUJWKCZTLBY-GDBMZVCRSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001034393872 709928584 /nfs/dbraw/zinc/92/85/84/709928584.db2.gz GYJBUJWKCZTLBY-GDBMZVCRSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034393872 709928587 /nfs/dbraw/zinc/92/85/87/709928587.db2.gz GYJBUJWKCZTLBY-GDBMZVCRSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034393872 709928588 /nfs/dbraw/zinc/92/85/88/709928588.db2.gz GYJBUJWKCZTLBY-GDBMZVCRSA-N 2 1 334.464 1.796 20 0 EDADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034434879 710007090 /nfs/dbraw/zinc/00/70/90/710007090.db2.gz DQUPXNHDKKYIJI-SFHVURJKSA-N 2 1 347.507 1.995 20 0 EDADMP COC[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034463760 710033287 /nfs/dbraw/zinc/03/32/87/710033287.db2.gz VNGBQNSMYVOKQT-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCO)C1 ZINC001034482122 710106591 /nfs/dbraw/zinc/10/65/91/710106591.db2.gz ZTNPYSMTDZMBKF-ROUUACIJSA-N 2 1 339.524 1.994 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034482122 710106595 /nfs/dbraw/zinc/10/65/95/710106595.db2.gz ZTNPYSMTDZMBKF-ROUUACIJSA-N 2 1 339.524 1.994 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1 ZINC001034482122 710106599 /nfs/dbraw/zinc/10/65/99/710106599.db2.gz ZTNPYSMTDZMBKF-ROUUACIJSA-N 2 1 339.524 1.994 20 0 EDADMP O=C(NC1CC[NH+](Cc2cncc(F)c2)CC1)C12CCC[NH+]1CCC2 ZINC001003244152 710167250 /nfs/dbraw/zinc/16/72/50/710167250.db2.gz KOHPCCZCZOYKJJ-UHFFFAOYSA-N 2 1 346.450 1.930 20 0 EDADMP Cc1nnsc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526066 710177290 /nfs/dbraw/zinc/17/72/90/710177290.db2.gz SOVCEPJYQLVWKS-ZIAGYGMSSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1nnsc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034526066 710177293 /nfs/dbraw/zinc/17/72/93/710177293.db2.gz SOVCEPJYQLVWKS-ZIAGYGMSSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1nnsc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034526066 710177296 /nfs/dbraw/zinc/17/72/96/710177296.db2.gz SOVCEPJYQLVWKS-ZIAGYGMSSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1nnsc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034526066 710177297 /nfs/dbraw/zinc/17/72/97/710177297.db2.gz SOVCEPJYQLVWKS-ZIAGYGMSSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1csc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034526184 710177567 /nfs/dbraw/zinc/17/75/67/710177567.db2.gz VJNMIWKWQMEFTM-LSDHHAIUSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1csc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034526184 710177569 /nfs/dbraw/zinc/17/75/69/710177569.db2.gz VJNMIWKWQMEFTM-LSDHHAIUSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1csc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034526184 710177571 /nfs/dbraw/zinc/17/75/71/710177571.db2.gz VJNMIWKWQMEFTM-LSDHHAIUSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1csc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034526184 710177574 /nfs/dbraw/zinc/17/75/74/710177574.db2.gz VJNMIWKWQMEFTM-LSDHHAIUSA-N 2 1 336.505 1.874 20 0 EDADMP CC1(C)CO[C@@H](C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001034529299 710183775 /nfs/dbraw/zinc/18/37/75/710183775.db2.gz YGKCYDILBGPXTK-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034534098 710195100 /nfs/dbraw/zinc/19/51/00/710195100.db2.gz HQNQZXIVGPGCOG-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034534098 710195102 /nfs/dbraw/zinc/19/51/02/710195102.db2.gz HQNQZXIVGPGCOG-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CCCC3)C2)C1 ZINC001034534098 710195104 /nfs/dbraw/zinc/19/51/04/710195104.db2.gz HQNQZXIVGPGCOG-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CCCC3)C2)C1 ZINC001034534098 710195107 /nfs/dbraw/zinc/19/51/07/710195107.db2.gz HQNQZXIVGPGCOG-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001034606803 710269990 /nfs/dbraw/zinc/26/99/90/710269990.db2.gz DWBBJVXIPTVBKQ-ZOBUZTSGSA-N 2 1 333.480 1.514 20 0 EDADMP CCc1ccc([C@H](O)C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032838305 710279217 /nfs/dbraw/zinc/27/92/17/710279217.db2.gz HWWVCGFHPLKAAN-GUDVDZBRSA-N 2 1 345.487 1.567 20 0 EDADMP CCc1ccc([C@H](O)C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001032838305 710279218 /nfs/dbraw/zinc/27/92/18/710279218.db2.gz HWWVCGFHPLKAAN-GUDVDZBRSA-N 2 1 345.487 1.567 20 0 EDADMP CCc1ccc([C@H](O)C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001032838305 710279221 /nfs/dbraw/zinc/27/92/21/710279221.db2.gz HWWVCGFHPLKAAN-GUDVDZBRSA-N 2 1 345.487 1.567 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(F)c3)CC2)C1 ZINC001034617174 710292277 /nfs/dbraw/zinc/29/22/77/710292277.db2.gz JQVXMJMLXQPMDI-BZSNNMDCSA-N 2 1 349.450 1.673 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(F)c3)CC2)C1 ZINC001034617174 710292280 /nfs/dbraw/zinc/29/22/80/710292280.db2.gz JQVXMJMLXQPMDI-BZSNNMDCSA-N 2 1 349.450 1.673 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)c(C)o1 ZINC001003549125 710414483 /nfs/dbraw/zinc/41/44/83/710414483.db2.gz ZTALCUNPHQCMRZ-UHFFFAOYSA-N 2 1 334.464 1.714 20 0 EDADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cnc3n2CCOC3)[C@H](c2ccccc2)C1 ZINC000922211892 710442561 /nfs/dbraw/zinc/44/25/61/710442561.db2.gz KNPJHTSOFUMCRV-AEFFLSMTSA-N 2 1 326.444 1.848 20 0 EDADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cnc3n2CCOC3)[C@H](c2ccccc2)C1 ZINC000922211892 710442563 /nfs/dbraw/zinc/44/25/63/710442563.db2.gz KNPJHTSOFUMCRV-AEFFLSMTSA-N 2 1 326.444 1.848 20 0 EDADMP Cc1cncc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC001003636642 710456846 /nfs/dbraw/zinc/45/68/46/710456846.db2.gz XAWPTPIBAQYCLO-MAUKXSAKSA-N 2 1 330.476 1.668 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC001003629942 710459541 /nfs/dbraw/zinc/45/95/41/710459541.db2.gz GXTVEJQSLBUHEN-KDOFPFPSSA-N 2 1 346.475 1.369 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)c1 ZINC001003629942 710459544 /nfs/dbraw/zinc/45/95/44/710459544.db2.gz GXTVEJQSLBUHEN-KDOFPFPSSA-N 2 1 346.475 1.369 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003630698 710459928 /nfs/dbraw/zinc/45/99/28/710459928.db2.gz NAUYASAKCIXKBL-WBMJQRKESA-N 2 1 334.464 1.570 20 0 EDADMP CCc1nocc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003636939 710466939 /nfs/dbraw/zinc/46/69/39/710466939.db2.gz YTAOSWOUFSZWFH-CJNGLKHVSA-N 2 1 334.464 1.515 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](C)O)CC2)C1 ZINC001034662830 710596031 /nfs/dbraw/zinc/59/60/31/710596031.db2.gz PFRYMJQEADYQFE-QBPKDAKJSA-N 2 1 325.497 1.362 20 0 EDADMP Cn1nccc1CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001034672635 710605979 /nfs/dbraw/zinc/60/59/79/710605979.db2.gz PYLLWJIHUTXYOJ-BQFCYCMXSA-N 2 1 347.507 1.464 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1 ZINC001034675253 710627190 /nfs/dbraw/zinc/62/71/90/710627190.db2.gz YJFBBMGRYMJNJW-XLAORIBOSA-N 2 1 337.508 1.914 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCCO2)CC1 ZINC001034693460 710784035 /nfs/dbraw/zinc/78/40/35/710784035.db2.gz ZYTBNGBEJRPOTG-ULQDDVLXSA-N 2 1 334.464 1.778 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC001034739154 710932834 /nfs/dbraw/zinc/93/28/34/710932834.db2.gz YJTLSPLLAFFKMN-TUUVXOQKSA-N 2 1 334.464 1.698 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC001034739151 710933118 /nfs/dbraw/zinc/93/31/18/710933118.db2.gz YJTLSPLLAFFKMN-QCEMKRCNSA-N 2 1 334.464 1.698 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1 ZINC001034738588 710953956 /nfs/dbraw/zinc/95/39/56/710953956.db2.gz ULEGIPCXSWYNRA-AJNGGQMLSA-N 2 1 336.505 1.858 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001034754257 710975798 /nfs/dbraw/zinc/97/57/98/710975798.db2.gz XTPZRGGYMUVHHL-SRABZTEZSA-N 2 1 347.463 1.604 20 0 EDADMP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC001034776073 711050997 /nfs/dbraw/zinc/05/09/97/711050997.db2.gz OZTFFNVDCLTHBX-UKMLZYKCSA-N 2 1 349.479 1.798 20 0 EDADMP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001034776073 711050998 /nfs/dbraw/zinc/05/09/98/711050998.db2.gz OZTFFNVDCLTHBX-UKMLZYKCSA-N 2 1 349.479 1.798 20 0 EDADMP Cn1nccc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034778297 711079410 /nfs/dbraw/zinc/07/94/10/711079410.db2.gz GQJBAGPIZGSVLT-JYJNAYRXSA-N 2 1 333.480 1.279 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC001005712356 711097271 /nfs/dbraw/zinc/09/72/71/711097271.db2.gz CPANRXPQVXWDFO-RDJZCZTQSA-N 2 1 334.464 1.682 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001034784771 711099635 /nfs/dbraw/zinc/09/96/35/711099635.db2.gz KHMQXEDWNMHHRW-LNLFQRSKSA-N 2 1 346.475 1.986 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2nccnc2C)CC1 ZINC001034795206 711112968 /nfs/dbraw/zinc/11/29/68/711112968.db2.gz WCAUYTNFYRAWHJ-WKILWMFISA-N 2 1 342.447 1.507 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001034795604 711114428 /nfs/dbraw/zinc/11/44/28/711114428.db2.gz LOVKRDMDEDAEIM-ULQDDVLXSA-N 2 1 348.495 1.170 20 0 EDADMP CCc1noc(C)c1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003967714 711138344 /nfs/dbraw/zinc/13/83/44/711138344.db2.gz NMUSHCOMPSJXHK-HNNXBMFYSA-N 2 1 348.491 1.968 20 0 EDADMP Cc1cc(CNCc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)on1 ZINC001034831446 711237532 /nfs/dbraw/zinc/23/75/32/711237532.db2.gz QTSOAKUAIXHFLK-QGZVFWFLSA-N 2 1 342.443 1.841 20 0 EDADMP Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)on1 ZINC001034831446 711237534 /nfs/dbraw/zinc/23/75/34/711237534.db2.gz QTSOAKUAIXHFLK-QGZVFWFLSA-N 2 1 342.443 1.841 20 0 EDADMP Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)on1 ZINC001034831446 711237536 /nfs/dbraw/zinc/23/75/36/711237536.db2.gz QTSOAKUAIXHFLK-QGZVFWFLSA-N 2 1 342.443 1.841 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1O ZINC000922388051 711429691 /nfs/dbraw/zinc/42/96/91/711429691.db2.gz NTHQVAGPIRKPQF-SKWUIDRYSA-N 2 1 334.460 1.970 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001034936778 711437135 /nfs/dbraw/zinc/43/71/35/711437135.db2.gz WAEBULBLPMUNNR-MSOLQXFVSA-N 2 1 347.507 1.682 20 0 EDADMP COC(=O)c1cc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c[nH]1 ZINC000922386237 711447265 /nfs/dbraw/zinc/44/72/65/711447265.db2.gz FHLMMSLDCOEOFP-XLMAVXFVSA-N 2 1 335.448 1.371 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)C2 ZINC000922386550 711448043 /nfs/dbraw/zinc/44/80/43/711448043.db2.gz FWYGHHOMUINHHU-VXNCWWDNSA-N 2 1 348.491 1.286 20 0 EDADMP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)cn1 ZINC001034972298 711452332 /nfs/dbraw/zinc/45/23/32/711452332.db2.gz DWQGHPAJJCKPQM-SJORKVTESA-N 2 1 346.475 1.655 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnn4c3CCC4)C2)[C@H]1C(C)C ZINC000922395535 711469069 /nfs/dbraw/zinc/46/90/69/711469069.db2.gz SSBRURNINFRVIU-NXWXRZEISA-N 2 1 332.492 1.789 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2C[C@]3(C[N@H+](CC)[C@H]3C(C)C)C[C@H]2O)n1 ZINC000922395598 711469285 /nfs/dbraw/zinc/46/92/85/711469285.db2.gz UFPQLWYSQGHXQT-NRSFXHEJSA-N 2 1 335.496 1.566 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2C[C@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)n1 ZINC000922395598 711469287 /nfs/dbraw/zinc/46/92/87/711469287.db2.gz UFPQLWYSQGHXQT-NRSFXHEJSA-N 2 1 335.496 1.566 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC001004146870 711557561 /nfs/dbraw/zinc/55/75/61/711557561.db2.gz BJMJMKKNTSFNQT-FUHWJXTLSA-N 2 1 331.460 1.252 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCCC3CCC3)CC2)C1 ZINC001004177843 711632009 /nfs/dbraw/zinc/63/20/09/711632009.db2.gz CVLQADOJXSUPRX-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCCC3CCC3)CC2)C1 ZINC001004177843 711632012 /nfs/dbraw/zinc/63/20/12/711632012.db2.gz CVLQADOJXSUPRX-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004603826 712053200 /nfs/dbraw/zinc/05/32/00/712053200.db2.gz JCCVDWJTTAANSC-QGZVFWFLSA-N 2 1 335.492 1.432 20 0 EDADMP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]2C1 ZINC000946662574 712290901 /nfs/dbraw/zinc/29/09/01/712290901.db2.gz BMWUDKXGIIPAPL-OIISXLGYSA-N 2 1 342.443 1.499 20 0 EDADMP CC[NH+]1CCN(c2cc(N3CC[N@H+](CC)C[C@@H]3C)nc(C)n2)[C@H](C)C1 ZINC000557696098 306233446 /nfs/dbraw/zinc/23/34/46/306233446.db2.gz OKTDLIBVZKHAHH-IYBDPMFKSA-N 2 1 346.523 1.846 20 0 EDADMP CC[NH+]1CCN(c2cc(N3CC[N@H+](CC)C[C@H]3C)nc(C)n2)[C@@H](C)C1 ZINC000557696098 306233447 /nfs/dbraw/zinc/23/34/47/306233447.db2.gz OKTDLIBVZKHAHH-IYBDPMFKSA-N 2 1 346.523 1.846 20 0 EDADMP CC[NH+]1CCN(c2cc(N3CC[N@@H+](CC)C[C@H]3C)nc(C)n2)[C@@H](C)C1 ZINC000557696098 306233448 /nfs/dbraw/zinc/23/34/48/306233448.db2.gz OKTDLIBVZKHAHH-IYBDPMFKSA-N 2 1 346.523 1.846 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000132625579 529688966 /nfs/dbraw/zinc/68/89/66/529688966.db2.gz UNYOCSTZXIKAEO-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000132625579 529688968 /nfs/dbraw/zinc/68/89/68/529688968.db2.gz UNYOCSTZXIKAEO-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132625579 529688970 /nfs/dbraw/zinc/68/89/70/529688970.db2.gz UNYOCSTZXIKAEO-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132625579 529688972 /nfs/dbraw/zinc/68/89/72/529688972.db2.gz UNYOCSTZXIKAEO-WMZOPIPTSA-N 2 1 333.476 1.734 20 0 EDADMP COCCOc1ccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000178669904 232359926 /nfs/dbraw/zinc/35/99/26/232359926.db2.gz JWJRWRKPZLSHNN-MRXNPFEDSA-N 2 1 349.475 1.527 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CC[NH2+]CC3)c2)CCO1 ZINC000561176997 306283904 /nfs/dbraw/zinc/28/39/04/306283904.db2.gz IFBRBFRSUWXHJL-HNNXBMFYSA-N 2 1 332.448 1.022 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CCC[NH2+][C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000333942473 539661712 /nfs/dbraw/zinc/66/17/12/539661712.db2.gz PZXVVNLMPFWSAM-KCQAQPDRSA-N 2 1 336.505 1.934 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CCC[NH2+][C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000333942473 539661717 /nfs/dbraw/zinc/66/17/17/539661717.db2.gz PZXVVNLMPFWSAM-KCQAQPDRSA-N 2 1 336.505 1.934 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[NH2+]C(C)(C)C)CC2)CC1 ZINC000561257737 306285822 /nfs/dbraw/zinc/28/58/22/306285822.db2.gz XGPOJYAOKMLBIT-UHFFFAOYSA-N 3 1 338.540 1.687 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000339266014 539703993 /nfs/dbraw/zinc/70/39/93/539703993.db2.gz RJBANQZYLVBDHL-QGZVFWFLSA-N 2 1 337.508 1.822 20 0 EDADMP CCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccccc2)CC1 ZINC000006879357 539750498 /nfs/dbraw/zinc/75/04/98/539750498.db2.gz AXEAWJKIXACJAI-UHFFFAOYSA-N 2 1 325.478 1.429 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000343019600 539777917 /nfs/dbraw/zinc/77/79/17/539777917.db2.gz ZXMQJGFKVLZISX-HOCLYGCPSA-N 2 1 349.479 1.029 20 0 EDADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000152450876 539813653 /nfs/dbraw/zinc/81/36/53/539813653.db2.gz XZXSELROIZJJHU-SJLPKXTDSA-N 2 1 348.491 1.479 20 0 EDADMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000152450876 539813656 /nfs/dbraw/zinc/81/36/56/539813656.db2.gz XZXSELROIZJJHU-SJLPKXTDSA-N 2 1 348.491 1.479 20 0 EDADMP C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000152559586 539820584 /nfs/dbraw/zinc/82/05/84/539820584.db2.gz YTZHHLYXZOGFRV-GOEBONIOSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152559586 539820588 /nfs/dbraw/zinc/82/05/88/539820588.db2.gz YTZHHLYXZOGFRV-GOEBONIOSA-N 2 1 326.485 1.221 20 0 EDADMP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)s1 ZINC000181506274 234210619 /nfs/dbraw/zinc/21/06/19/234210619.db2.gz OESONOLODBCSNK-BXUZGUMPSA-N 2 1 345.534 1.716 20 0 EDADMP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)s1 ZINC000181506274 234210624 /nfs/dbraw/zinc/21/06/24/234210624.db2.gz OESONOLODBCSNK-BXUZGUMPSA-N 2 1 345.534 1.716 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000342765987 291049075 /nfs/dbraw/zinc/04/90/75/291049075.db2.gz RJDAGEDPYCWDGV-OAGGEKHMSA-N 2 1 339.480 1.380 20 0 EDADMP C[C@H](CNC(=O)CC[NH2+]C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000563410985 306332290 /nfs/dbraw/zinc/33/22/90/306332290.db2.gz TWVISYMTLSXNTF-MRXNPFEDSA-N 2 1 330.476 1.455 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000041712073 138104312 /nfs/dbraw/zinc/10/43/12/138104312.db2.gz OIQGGMZCVWWYDN-OAHLLOKOSA-N 2 1 346.475 1.535 20 0 EDADMP CC[C@H](C)[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000068450523 138194231 /nfs/dbraw/zinc/19/42/31/138194231.db2.gz PNXSLXGPDAVOEK-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP CC[C@H](C)[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000068450523 138194232 /nfs/dbraw/zinc/19/42/32/138194232.db2.gz PNXSLXGPDAVOEK-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000563559205 306338896 /nfs/dbraw/zinc/33/88/96/306338896.db2.gz LFAOCBKVTMECTC-JKSUJKDBSA-N 2 1 338.496 1.400 20 0 EDADMP COCC[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000077408998 138252734 /nfs/dbraw/zinc/25/27/34/138252734.db2.gz UWVKBRQCIIGYQE-INIZCTEOSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000098030140 138297361 /nfs/dbraw/zinc/29/73/61/138297361.db2.gz QGUCYSXAHCCURW-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000098030140 138297362 /nfs/dbraw/zinc/29/73/62/138297362.db2.gz QGUCYSXAHCCURW-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000133579395 138395348 /nfs/dbraw/zinc/39/53/48/138395348.db2.gz YOBJCFPJSFOHRG-IAGOWNOFSA-N 3 1 332.496 1.061 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)CCN1C ZINC000133579395 138395349 /nfs/dbraw/zinc/39/53/49/138395349.db2.gz YOBJCFPJSFOHRG-IAGOWNOFSA-N 3 1 332.496 1.061 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](O)CC12CCC2)c1ccccc1 ZINC000563855769 306350041 /nfs/dbraw/zinc/35/00/41/306350041.db2.gz AOEVVMZSCLNXPC-ROUUACIJSA-N 2 1 345.487 1.785 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(CC[NH3+])CCO)CC[N@H+]1Cc1ccccc1 ZINC000417828687 291135111 /nfs/dbraw/zinc/13/51/11/291135111.db2.gz FUURKCBQMCZMJC-DOTOQJQBSA-N 2 1 334.464 1.002 20 0 EDADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813726 291157185 /nfs/dbraw/zinc/15/71/85/291157185.db2.gz AVMZUBBZIKNZHF-QXDIGNSFSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813726 291157186 /nfs/dbraw/zinc/15/71/86/291157186.db2.gz AVMZUBBZIKNZHF-QXDIGNSFSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813726 291157187 /nfs/dbraw/zinc/15/71/87/291157187.db2.gz AVMZUBBZIKNZHF-QXDIGNSFSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000178749770 138745476 /nfs/dbraw/zinc/74/54/76/138745476.db2.gz QXSSQUQEPBUQLO-DAYGRLMNSA-N 2 1 331.460 1.778 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000178749770 138745477 /nfs/dbraw/zinc/74/54/77/138745477.db2.gz QXSSQUQEPBUQLO-DAYGRLMNSA-N 2 1 331.460 1.778 20 0 EDADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000564839207 306366301 /nfs/dbraw/zinc/36/63/01/306366301.db2.gz FCQSTQTZYGDZMG-JKSUJKDBSA-N 2 1 327.432 1.373 20 0 EDADMP COC(=O)[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC[N@H+](C)C1 ZINC000413926567 304090733 /nfs/dbraw/zinc/09/07/33/304090733.db2.gz WMDKPNAUVIQBEL-JKSUJKDBSA-N 2 1 339.480 1.060 20 0 EDADMP COC(=O)[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC[N@@H+](C)C1 ZINC000413926567 304090734 /nfs/dbraw/zinc/09/07/34/304090734.db2.gz WMDKPNAUVIQBEL-JKSUJKDBSA-N 2 1 339.480 1.060 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000565753247 306390649 /nfs/dbraw/zinc/39/06/49/306390649.db2.gz QXEPIDMVWQTCJH-QWQRMKEZSA-N 2 1 330.476 1.671 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000565753247 306390650 /nfs/dbraw/zinc/39/06/50/306390650.db2.gz QXEPIDMVWQTCJH-QWQRMKEZSA-N 2 1 330.476 1.671 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000565753247 306390651 /nfs/dbraw/zinc/39/06/51/306390651.db2.gz QXEPIDMVWQTCJH-QWQRMKEZSA-N 2 1 330.476 1.671 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000565753247 306390652 /nfs/dbraw/zinc/39/06/52/306390652.db2.gz QXEPIDMVWQTCJH-QWQRMKEZSA-N 2 1 330.476 1.671 20 0 EDADMP C[N@H+]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C2(CCCCC2)C1 ZINC000566012697 306396390 /nfs/dbraw/zinc/39/63/90/306396390.db2.gz OSQYUMRXEQGZED-OALUTQOASA-N 2 1 331.504 1.868 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414703060 304129783 /nfs/dbraw/zinc/12/97/83/304129783.db2.gz LMKZZBSMBUVHLH-CYBMUJFWSA-N 2 1 330.432 1.076 20 0 EDADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000414708401 304130864 /nfs/dbraw/zinc/13/08/64/304130864.db2.gz QHGVXHDRJYKFIL-KBPBESRZSA-N 2 1 332.448 1.320 20 0 EDADMP CN1CCN(c2ncc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2)CC1 ZINC000414773672 304139413 /nfs/dbraw/zinc/13/94/13/304139413.db2.gz DQRIAHJDCWCIEV-ROUUACIJSA-N 2 1 344.507 1.050 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2)CC1 ZINC000414773672 304139415 /nfs/dbraw/zinc/13/94/15/304139415.db2.gz DQRIAHJDCWCIEV-ROUUACIJSA-N 3 1 344.507 1.050 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2)CC1 ZINC000414773672 304139417 /nfs/dbraw/zinc/13/94/17/304139417.db2.gz DQRIAHJDCWCIEV-ROUUACIJSA-N 3 1 344.507 1.050 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414773537 304139180 /nfs/dbraw/zinc/13/91/80/304139180.db2.gz DNGHVYKPPNFLJG-LSDHHAIUSA-N 2 1 327.428 1.604 20 0 EDADMP COCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414783220 304140198 /nfs/dbraw/zinc/14/01/98/304140198.db2.gz PQJIILDDGGPFEY-QGZVFWFLSA-N 2 1 334.460 1.899 20 0 EDADMP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414991271 304148924 /nfs/dbraw/zinc/14/89/24/304148924.db2.gz AXLNDRZGQJYEEP-UKPHBRMFSA-N 2 1 342.480 1.932 20 0 EDADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415043527 304153930 /nfs/dbraw/zinc/15/39/30/304153930.db2.gz RPWVLGRDKYMYSP-CYBMUJFWSA-N 2 1 348.399 1.696 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cn2)CC1 ZINC000415056171 304155153 /nfs/dbraw/zinc/15/51/53/304155153.db2.gz RROPSJVOMYQZAN-ZWKOTPCHSA-N 3 1 344.507 1.192 20 0 EDADMP c1ccc(OCCN2CCOCC2)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000415075403 304157641 /nfs/dbraw/zinc/15/76/41/304157641.db2.gz FCLHZDPAHJOMSO-QGZVFWFLSA-N 2 1 333.476 1.487 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000415139047 304163540 /nfs/dbraw/zinc/16/35/40/304163540.db2.gz HSKAIYYJPPGRHE-XJKSGUPXSA-N 2 1 330.432 1.040 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000415142054 304163970 /nfs/dbraw/zinc/16/39/70/304163970.db2.gz QQGJQCVWFBEMKQ-QZTJIDSGSA-N 2 1 328.460 1.715 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000078647901 217094281 /nfs/dbraw/zinc/09/42/81/217094281.db2.gz NMTSFYHUMOWQAL-PKOBYXMFSA-N 2 1 344.503 1.403 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000236955434 139036427 /nfs/dbraw/zinc/03/64/27/139036427.db2.gz ADFOEZVYSOMOCE-LJQANCHMSA-N 2 1 344.503 1.582 20 0 EDADMP COCC[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000237193101 139043533 /nfs/dbraw/zinc/04/35/33/139043533.db2.gz DLZJZDGHWMQDHZ-AWEZNQCLSA-N 2 1 325.478 1.312 20 0 EDADMP C[C@H](C(=O)N1CCC([NH3+])CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237441663 139051303 /nfs/dbraw/zinc/05/13/03/139051303.db2.gz AUGXGVAZDOGRCP-CQSZACIVSA-N 2 1 334.439 1.286 20 0 EDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237522922 139053252 /nfs/dbraw/zinc/05/32/52/139053252.db2.gz AJEHRLINEJCRGP-ZDUSSCGKSA-N 2 1 325.478 1.682 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)c1 ZINC000237627738 139056241 /nfs/dbraw/zinc/05/62/41/139056241.db2.gz LDXRTBFRQVLOGV-KRWDZBQOSA-N 2 1 333.501 1.734 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000237719214 139058602 /nfs/dbraw/zinc/05/86/02/139058602.db2.gz PNBVDTZWGJWTHU-AWEZNQCLSA-N 2 1 336.505 1.779 20 0 EDADMP [NH3+]CCC(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000237851483 139061877 /nfs/dbraw/zinc/06/18/77/139061877.db2.gz ROVAHXAEVRTHBL-UHFFFAOYSA-N 2 1 349.460 1.224 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000111794345 220192177 /nfs/dbraw/zinc/19/21/77/220192177.db2.gz FMPASDDSRZETCI-SFHVURJKSA-N 2 1 348.491 1.653 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@H+](C[C@@H](O)Cc3ccccc3)C2)CC1 ZINC000245580355 139080115 /nfs/dbraw/zinc/08/01/15/139080115.db2.gz CHPDWQVXQDBLRL-PMACEKPBSA-N 2 1 331.504 1.692 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)CC1 ZINC000245580355 139080116 /nfs/dbraw/zinc/08/01/16/139080116.db2.gz CHPDWQVXQDBLRL-PMACEKPBSA-N 2 1 331.504 1.692 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000245703033 139083715 /nfs/dbraw/zinc/08/37/15/139083715.db2.gz RSICBEZQKGBOBH-GDBMZVCRSA-N 2 1 349.479 1.918 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000245703033 139083716 /nfs/dbraw/zinc/08/37/16/139083716.db2.gz RSICBEZQKGBOBH-GDBMZVCRSA-N 2 1 349.479 1.918 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000567822540 306464646 /nfs/dbraw/zinc/46/46/46/306464646.db2.gz AOIIFDMEWRIEAX-QRVBRYPASA-N 2 1 343.471 1.633 20 0 EDADMP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246299638 139103301 /nfs/dbraw/zinc/10/33/01/139103301.db2.gz PPDADXNMLVKQLY-QZTJIDSGSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246299638 139103302 /nfs/dbraw/zinc/10/33/02/139103302.db2.gz PPDADXNMLVKQLY-QZTJIDSGSA-N 2 1 336.524 1.489 20 0 EDADMP O=C1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CN1CCOc1ccccc1 ZINC000246519407 139111858 /nfs/dbraw/zinc/11/18/58/139111858.db2.gz UNRCLGMPXHQHHI-BZSNNMDCSA-N 2 1 343.471 1.883 20 0 EDADMP CC(C)OC[C@H](O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246786975 139121600 /nfs/dbraw/zinc/12/16/00/139121600.db2.gz ZTLOOQOFILTTEQ-ZIFCJYIRSA-N 2 1 342.524 1.984 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000247429893 139148454 /nfs/dbraw/zinc/14/84/54/139148454.db2.gz OPJNPRZSVNOCHA-DOTOQJQBSA-N 2 1 345.491 1.246 20 0 EDADMP CC(C)CCOCCNC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247977464 139156547 /nfs/dbraw/zinc/15/65/47/139156547.db2.gz HYKUYCNCJKPQEX-IRXDYDNUSA-N 2 1 325.497 1.581 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247972057 139156592 /nfs/dbraw/zinc/15/65/92/139156592.db2.gz JSSVUQGICXASBI-GGPKGHCWSA-N 2 1 348.487 1.989 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000247972057 139156593 /nfs/dbraw/zinc/15/65/93/139156593.db2.gz JSSVUQGICXASBI-GGPKGHCWSA-N 2 1 348.487 1.989 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000112214044 220264004 /nfs/dbraw/zinc/26/40/04/220264004.db2.gz ZJSCLJNZKWALDP-IAGOWNOFSA-N 2 1 338.496 1.225 20 0 EDADMP Cc1cnc(CC[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)s1 ZINC000093807292 218250017 /nfs/dbraw/zinc/25/00/17/218250017.db2.gz DICCZGRPLBWBSM-UHFFFAOYSA-N 2 1 346.504 1.668 20 0 EDADMP Cc1cnc(CC[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)s1 ZINC000093807292 218250020 /nfs/dbraw/zinc/25/00/20/218250020.db2.gz DICCZGRPLBWBSM-UHFFFAOYSA-N 2 1 346.504 1.668 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000250090818 139200336 /nfs/dbraw/zinc/20/03/36/139200336.db2.gz QFGUGDFOKUKWHX-MJGOQNOKSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000250090818 139200337 /nfs/dbraw/zinc/20/03/37/139200337.db2.gz QFGUGDFOKUKWHX-MJGOQNOKSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000250090818 139200338 /nfs/dbraw/zinc/20/03/38/139200338.db2.gz QFGUGDFOKUKWHX-MJGOQNOKSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000250090818 139200339 /nfs/dbraw/zinc/20/03/39/139200339.db2.gz QFGUGDFOKUKWHX-MJGOQNOKSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550240 139208888 /nfs/dbraw/zinc/20/88/88/139208888.db2.gz LBNYZZZZCDBBKS-SZMVWBNQSA-N 2 1 331.460 1.392 20 0 EDADMP CCOc1ccc(OCC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261612989 139211082 /nfs/dbraw/zinc/21/10/82/139211082.db2.gz DYKPQUCUJJIAJU-OAHLLOKOSA-N 2 1 335.448 1.251 20 0 EDADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261653429 139214611 /nfs/dbraw/zinc/21/46/11/139214611.db2.gz FFYSDWVWTSSXAU-ZRGWGRIASA-N 2 1 347.459 1.344 20 0 EDADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261653429 139214612 /nfs/dbraw/zinc/21/46/12/139214612.db2.gz FFYSDWVWTSSXAU-ZRGWGRIASA-N 2 1 347.459 1.344 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261670803 139216096 /nfs/dbraw/zinc/21/60/96/139216096.db2.gz BUUQEXIKGFMCFQ-NVXWUHKLSA-N 2 1 331.460 1.664 20 0 EDADMP CCc1cc(N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nc(C)[nH+]1 ZINC000261739523 139222197 /nfs/dbraw/zinc/22/21/97/139222197.db2.gz SQAIDGHLJIJPQP-GOEBONIOSA-N 2 1 331.464 1.432 20 0 EDADMP [NH3+][C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000261743222 139222406 /nfs/dbraw/zinc/22/24/06/139222406.db2.gz KQCKQOHNWGYIHV-MSOLQXFVSA-N 2 1 331.460 1.521 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261877958 139233418 /nfs/dbraw/zinc/23/34/18/139233418.db2.gz TWHPSEWCKZFNNS-BPQIPLTHSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261877958 139233419 /nfs/dbraw/zinc/23/34/19/139233419.db2.gz TWHPSEWCKZFNNS-BPQIPLTHSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@H]([NH3+])CC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000261914813 139236532 /nfs/dbraw/zinc/23/65/32/139236532.db2.gz WVLDDRRVWBDUBZ-AWEZNQCLSA-N 2 1 330.432 1.649 20 0 EDADMP C[C@@H](c1ccc(NC(=O)[C@H]([NH3+])C2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000261920231 139236988 /nfs/dbraw/zinc/23/69/88/139236988.db2.gz YNRPYFHNQZPYIW-KBXCAEBGSA-N 2 1 347.459 1.772 20 0 EDADMP Cc1ncsc1CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261965784 139240580 /nfs/dbraw/zinc/24/05/80/139240580.db2.gz YILNQKRRCDACQB-HUUCEWRRSA-N 2 1 336.505 1.574 20 0 EDADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262124861 139252971 /nfs/dbraw/zinc/25/29/71/139252971.db2.gz MVSNCMAZPIRLJN-LJQANCHMSA-N 2 1 339.487 1.969 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000269247949 296314378 /nfs/dbraw/zinc/31/43/78/296314378.db2.gz VWWLYOHBCUDNTN-ZTFGCOKTSA-N 2 1 331.460 1.400 20 0 EDADMP O=C(CC[N@H+]1CC[C@H](CSc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000262187648 139258427 /nfs/dbraw/zinc/25/84/27/139258427.db2.gz RJIJMKNDROPYRE-INIZCTEOSA-N 2 1 333.501 1.923 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000262210761 139260354 /nfs/dbraw/zinc/26/03/54/139260354.db2.gz ITLOPJSLNBJKLC-AHCXZYCDSA-N 2 1 331.460 1.533 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000262210761 139260355 /nfs/dbraw/zinc/26/03/55/139260355.db2.gz ITLOPJSLNBJKLC-AHCXZYCDSA-N 2 1 331.460 1.533 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416013154 251046351 /nfs/dbraw/zinc/04/63/51/251046351.db2.gz RJXCDOYMBUJJQN-UHFFFAOYSA-N 2 1 333.480 1.637 20 0 EDADMP CN(CCCN(C)C(=O)Nc1ccc2c(c1)C[NH2+]C2)CC[NH+](C)C ZINC000416013154 251046355 /nfs/dbraw/zinc/04/63/55/251046355.db2.gz RJXCDOYMBUJJQN-UHFFFAOYSA-N 2 1 333.480 1.637 20 0 EDADMP [NH3+]CC[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(F)(F)F ZINC000416011805 251046628 /nfs/dbraw/zinc/04/66/28/251046628.db2.gz SAJNLMFQGAGVGC-STQMWFEESA-N 2 1 336.402 1.830 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[NH2+]C[C@](C)(F)C1)c1cccs1 ZINC000416441759 251068461 /nfs/dbraw/zinc/06/84/61/251068461.db2.gz WGAKQOQFEGFPKH-WFASDCNBSA-N 2 1 328.457 1.694 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000416873705 251114199 /nfs/dbraw/zinc/11/41/99/251114199.db2.gz DOLHABYINZTUAV-QGZVFWFLSA-N 2 1 332.448 1.022 20 0 EDADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417012946 251130878 /nfs/dbraw/zinc/13/08/78/251130878.db2.gz BESQZMXATGEAPF-MAUKXSAKSA-N 2 1 330.476 1.732 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417087957 251140686 /nfs/dbraw/zinc/14/06/86/251140686.db2.gz FWWWJRQAGNHGIN-DLBZAZTESA-N 2 1 334.464 1.010 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000417221451 251147999 /nfs/dbraw/zinc/14/79/99/251147999.db2.gz NMPWCFGUDVBRKS-WBVHZDCISA-N 2 1 334.464 1.357 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000417223156 251148586 /nfs/dbraw/zinc/14/85/86/251148586.db2.gz RCVWMQQLEWYEIQ-ZNMIVQPWSA-N 2 1 326.485 1.112 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000262343389 139271667 /nfs/dbraw/zinc/27/16/67/139271667.db2.gz TXBJMFPEAVJQOQ-QAPCUYQASA-N 2 1 331.460 1.666 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417385207 251160661 /nfs/dbraw/zinc/16/06/61/251160661.db2.gz LUNBLTVAQWLTLD-MRXNPFEDSA-N 2 1 348.495 1.020 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417562968 251188536 /nfs/dbraw/zinc/18/85/36/251188536.db2.gz GNCLKKNPVNKIRH-JYJNAYRXSA-N 2 1 326.485 1.162 20 0 EDADMP C[C@H]1C[C@@H](C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC[NH2+]1 ZINC000262385809 139275293 /nfs/dbraw/zinc/27/52/93/139275293.db2.gz MBINHZMRINZJET-JLJPHGGASA-N 2 1 344.459 1.463 20 0 EDADMP C[C@H]1C[C@@H](C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC[NH2+]1 ZINC000262385809 139275294 /nfs/dbraw/zinc/27/52/94/139275294.db2.gz MBINHZMRINZJET-JLJPHGGASA-N 2 1 344.459 1.463 20 0 EDADMP [NH3+]CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000417647262 251211865 /nfs/dbraw/zinc/21/18/65/251211865.db2.gz HEHZECJTXREITL-CYBMUJFWSA-N 2 1 330.354 1.538 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000417651509 251214250 /nfs/dbraw/zinc/21/42/50/251214250.db2.gz NKCIUPVTBJTIGD-FUHWJXTLSA-N 2 1 330.476 1.950 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417615068 251206714 /nfs/dbraw/zinc/20/67/14/251206714.db2.gz WMNCPQSQLSHWRV-HOTGVXAUSA-N 2 1 340.537 1.599 20 0 EDADMP C[NH2+][C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cnn(C)c1 ZINC000262440123 139279169 /nfs/dbraw/zinc/27/91/69/139279169.db2.gz UTJCVBMUCLSRIQ-ZWKOTPCHSA-N 2 1 341.459 1.634 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000417761046 251260128 /nfs/dbraw/zinc/26/01/28/251260128.db2.gz YPJCGERZZHFMSL-OAHLLOKOSA-N 2 1 327.517 1.077 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000417723777 251242544 /nfs/dbraw/zinc/24/25/44/251242544.db2.gz CIPHFUTTWXIJFD-MRXNPFEDSA-N 2 1 345.491 2.000 20 0 EDADMP COCC1(CNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000262444550 139279417 /nfs/dbraw/zinc/27/94/17/139279417.db2.gz VGJVQPYTQDHHHI-MRXNPFEDSA-N 2 1 333.476 1.639 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000417839653 251293392 /nfs/dbraw/zinc/29/33/92/251293392.db2.gz RPGBMPAYVWSVEL-GFCCVEGCSA-N 2 1 334.468 1.217 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@H](C)CCCC[NH3+])CC2)nc(C)[nH+]1 ZINC000417842043 251293866 /nfs/dbraw/zinc/29/38/66/251293866.db2.gz GLDYGZJQRVUARV-CYBMUJFWSA-N 2 1 348.495 1.879 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000417791911 251271330 /nfs/dbraw/zinc/27/13/30/251271330.db2.gz JWTOWKDSOSHDPP-DOTOQJQBSA-N 2 1 326.460 1.594 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000417791911 251271336 /nfs/dbraw/zinc/27/13/36/251271336.db2.gz JWTOWKDSOSHDPP-DOTOQJQBSA-N 2 1 326.460 1.594 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417816000 251281006 /nfs/dbraw/zinc/28/10/06/251281006.db2.gz BWJSUFJGMIJSRF-SOLBZPMBSA-N 2 1 330.476 1.900 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000417991801 251319528 /nfs/dbraw/zinc/31/95/28/251319528.db2.gz LQCLHCHXZJGTQT-MSOLQXFVSA-N 2 1 346.475 1.147 20 0 EDADMP CO[C@@H]1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000418105077 251322950 /nfs/dbraw/zinc/32/29/50/251322950.db2.gz YZPMYLWTOQMWQZ-RRFJBIMHSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418111286 251327099 /nfs/dbraw/zinc/32/70/99/251327099.db2.gz GRLPPHNJZPWCMR-WBVHZDCISA-N 2 1 340.512 1.694 20 0 EDADMP C[NH2+]CC1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000418113934 251329578 /nfs/dbraw/zinc/32/95/78/251329578.db2.gz KOHXNILPVOFOBH-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H](CC[NH3+])C2)CCCO1 ZINC000418117699 251330504 /nfs/dbraw/zinc/33/05/04/251330504.db2.gz SBLVVKRRBFPMRX-HOTGVXAUSA-N 2 1 326.485 1.258 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000418428797 251368133 /nfs/dbraw/zinc/36/81/33/251368133.db2.gz MYASEPUFAUHLMZ-PVAVHDDUSA-N 2 1 332.448 1.049 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418434464 251370908 /nfs/dbraw/zinc/37/09/08/251370908.db2.gz VNHRPMNYDGJEQM-KRWDZBQOSA-N 2 1 348.491 1.686 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH2+]CC1 ZINC000418165524 251351382 /nfs/dbraw/zinc/35/13/82/251351382.db2.gz YHXQQLXPYCYXLG-KRWDZBQOSA-N 2 1 330.476 1.902 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000418345411 251362010 /nfs/dbraw/zinc/36/20/10/251362010.db2.gz SYCVJLZFZQXPQV-QGZVFWFLSA-N 2 1 330.476 1.822 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@H+]1CCOC ZINC000418384416 251364266 /nfs/dbraw/zinc/36/42/66/251364266.db2.gz OHIWQNJTLJWUAG-IRXDYDNUSA-N 2 1 340.512 1.646 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000418704882 251390637 /nfs/dbraw/zinc/39/06/37/251390637.db2.gz GPMJIXWMCKASEE-RYUDHWBXSA-N 2 1 329.395 1.775 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@H](C)CCCC[NH3+])C[C@H]1CC ZINC000418716427 251395570 /nfs/dbraw/zinc/39/55/70/251395570.db2.gz YYJALJAVXGHWOR-HZPDHXFCSA-N 2 1 328.501 1.646 20 0 EDADMP CN(CC(C)(C)C[NH3+])C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000262585418 139288509 /nfs/dbraw/zinc/28/85/09/139288509.db2.gz OEXIELCAFJSDQK-UHFFFAOYSA-N 2 1 332.492 1.491 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C3([NH3+])CCCCC3)cc2)CC1 ZINC000262626387 139291096 /nfs/dbraw/zinc/29/10/96/139291096.db2.gz BVTWFZCQYGHJDK-UHFFFAOYSA-N 2 1 344.503 1.712 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262630423 139291360 /nfs/dbraw/zinc/29/13/60/139291360.db2.gz DRBWUVRHWCGZQP-QZTJIDSGSA-N 2 1 330.476 1.178 20 0 EDADMP O=C(C[NH2+]CC1CC1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000262633178 139291799 /nfs/dbraw/zinc/29/17/99/139291799.db2.gz XUBMFZGSTNAYPT-UHFFFAOYSA-N 2 1 337.386 1.099 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)cs1 ZINC000262710165 139298028 /nfs/dbraw/zinc/29/80/28/139298028.db2.gz CKKBNUFNJHSGQM-BLLLJJGKSA-N 2 1 336.505 1.778 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)C[C@@H](C[NH3+])OC)cc2)CC1 ZINC000262785663 139303557 /nfs/dbraw/zinc/30/35/57/139303557.db2.gz CPZDUYSVYOJAFM-KRWDZBQOSA-N 2 1 334.464 1.126 20 0 EDADMP CS(=O)(=O)c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1C(F)(F)F ZINC000423091776 252037051 /nfs/dbraw/zinc/03/70/51/252037051.db2.gz YTFYBMAACKZZQR-UHFFFAOYSA-N 2 1 336.379 1.951 20 0 EDADMP COC[C@@]1(C(=O)N2CC[NH+](CCc3cccs3)CC2)CC[NH2+]C1 ZINC000423348062 252049565 /nfs/dbraw/zinc/04/95/65/252049565.db2.gz SKXSQVGNJGKJLB-QGZVFWFLSA-N 2 1 337.489 1.061 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000423932235 252105521 /nfs/dbraw/zinc/10/55/21/252105521.db2.gz NTUJVWAVFIIEFU-JPLJXNOCSA-N 2 1 343.471 1.564 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000423932235 252105526 /nfs/dbraw/zinc/10/55/26/252105526.db2.gz NTUJVWAVFIIEFU-JPLJXNOCSA-N 2 1 343.471 1.564 20 0 EDADMP CN(CC[NH3+])C(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000424013299 252114614 /nfs/dbraw/zinc/11/46/14/252114614.db2.gz WGMLTUCYSRLPAH-OAHLLOKOSA-N 2 1 329.366 1.858 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000423801631 252081682 /nfs/dbraw/zinc/08/16/82/252081682.db2.gz UDAQETLLXOHHFI-CRAIPNDOSA-N 2 1 325.497 1.711 20 0 EDADMP [NH3+][C@@H]1CCc2ncc(NC(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)cc2C1 ZINC000424154501 252148193 /nfs/dbraw/zinc/14/81/93/252148193.db2.gz MNQIBSHADQIBNI-WCQYABFASA-N 2 1 340.431 1.340 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262917168 139312587 /nfs/dbraw/zinc/31/25/87/139312587.db2.gz ZBFSCCYRPSHSCN-HIFRSBDPSA-N 2 1 332.448 1.450 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000424464581 252237821 /nfs/dbraw/zinc/23/78/21/252237821.db2.gz ITLLZMJPKGCHMN-CJNGLKHVSA-N 2 1 332.448 1.333 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000424464586 252237915 /nfs/dbraw/zinc/23/79/15/252237915.db2.gz ITLLZMJPKGCHMN-CZUORRHYSA-N 2 1 332.448 1.333 20 0 EDADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424475019 252244206 /nfs/dbraw/zinc/24/42/06/252244206.db2.gz YJIOLVHKANDVIV-IRXDYDNUSA-N 2 1 344.459 1.477 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C[C@H]1CC ZINC000263031728 139318760 /nfs/dbraw/zinc/31/87/60/139318760.db2.gz RZOUANJWQSAPHT-RYRKJORJSA-N 2 1 325.497 1.853 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000365789359 285012086 /nfs/dbraw/zinc/01/20/86/285012086.db2.gz WSWREPBSRZQSHM-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000569814196 306521554 /nfs/dbraw/zinc/52/15/54/306521554.db2.gz TXVPXYWMCPWCHP-SJLPKXTDSA-N 2 1 332.492 1.544 20 0 EDADMP CCC[NH+]1CCC(N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000112358337 220312889 /nfs/dbraw/zinc/31/28/89/220312889.db2.gz ILCPDNOGMWCIJC-UHFFFAOYSA-N 2 1 344.503 1.778 20 0 EDADMP COCC[C@H](C)[NH2+]C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354931008 285163359 /nfs/dbraw/zinc/16/33/59/285163359.db2.gz ZRSDTHMBMVXDJK-MELADBBJSA-N 2 1 325.432 1.474 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415707548 304260210 /nfs/dbraw/zinc/26/02/10/304260210.db2.gz WKHTVJHBMLJEPV-LSDHHAIUSA-N 2 1 346.475 1.581 20 0 EDADMP COCC[N@H+](C)CCNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000263747329 139357437 /nfs/dbraw/zinc/35/74/37/139357437.db2.gz IMTBBNNVTRPSSB-UHFFFAOYSA-N 2 1 348.491 1.135 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000263747329 139357438 /nfs/dbraw/zinc/35/74/38/139357438.db2.gz IMTBBNNVTRPSSB-UHFFFAOYSA-N 2 1 348.491 1.135 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CC[NH+](CC4CCCC4)C3)C2)C1 ZINC000489373634 255067836 /nfs/dbraw/zinc/06/78/36/255067836.db2.gz SLCHTIKFPZQQHA-HKUYNNGSSA-N 2 1 334.508 1.988 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)C2)C1 ZINC000489373634 255067838 /nfs/dbraw/zinc/06/78/38/255067838.db2.gz SLCHTIKFPZQQHA-HKUYNNGSSA-N 2 1 334.508 1.988 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)C2)C1 ZINC000489373634 255067840 /nfs/dbraw/zinc/06/78/40/255067840.db2.gz SLCHTIKFPZQQHA-HKUYNNGSSA-N 2 1 334.508 1.988 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccco1 ZINC000188652525 285251080 /nfs/dbraw/zinc/25/10/80/285251080.db2.gz DKKOMPFTMLAYQD-CQSZACIVSA-N 2 1 329.466 1.316 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496164389 255359832 /nfs/dbraw/zinc/35/98/32/255359832.db2.gz BKVQWRMUWWSSMC-JKSUJKDBSA-N 2 1 343.512 1.924 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)CNC(=O)OC(C)(C)C ZINC000496341922 255383653 /nfs/dbraw/zinc/38/36/53/255383653.db2.gz IOFDVDWUKYMVRO-UONOGXRCSA-N 2 1 341.500 1.745 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1conc1COC ZINC000362692534 285281716 /nfs/dbraw/zinc/28/17/16/285281716.db2.gz KWCWBOYVJZKGHH-AWEZNQCLSA-N 2 1 338.452 1.309 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262641558 285322111 /nfs/dbraw/zinc/32/21/11/285322111.db2.gz KXSFMGUZSGKLJR-LMMKCTJWSA-N 2 1 346.519 1.712 20 0 EDADMP CC[N@@H+](CCCO)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000270738000 140159273 /nfs/dbraw/zinc/15/92/73/140159273.db2.gz POCTTXFFKSWGIF-KRWDZBQOSA-N 2 1 347.503 1.860 20 0 EDADMP C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000325358145 140664266 /nfs/dbraw/zinc/66/42/66/140664266.db2.gz FMOZLLVEBMQVLX-HNNXBMFYSA-N 2 1 331.460 1.794 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000333274359 141291032 /nfs/dbraw/zinc/29/10/32/141291032.db2.gz GNNGECQNMXQLDE-UKRRQHHQSA-N 2 1 331.464 1.703 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000333466189 141321634 /nfs/dbraw/zinc/32/16/34/141321634.db2.gz QKXOHBIBWXRJCQ-SMDDNHRTSA-N 2 1 342.447 1.578 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000333466189 141321635 /nfs/dbraw/zinc/32/16/35/141321635.db2.gz QKXOHBIBWXRJCQ-SMDDNHRTSA-N 2 1 342.447 1.578 20 0 EDADMP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000333471216 141322762 /nfs/dbraw/zinc/32/27/62/141322762.db2.gz ASXPRBMMAVBGKX-HOCLYGCPSA-N 2 1 329.510 1.312 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@H]3C[NH2+]CC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000333646253 141349874 /nfs/dbraw/zinc/34/98/74/141349874.db2.gz VCIHLORPEZKAGH-LRDDRELGSA-N 2 1 346.479 1.359 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCC[N@H+]1C ZINC000333693250 141359465 /nfs/dbraw/zinc/35/94/65/141359465.db2.gz CRKYJEUVLHUXLX-QBYUYEEZSA-N 2 1 348.495 1.372 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000333853561 141395198 /nfs/dbraw/zinc/39/51/98/141395198.db2.gz QMDTVUBUISQDED-PVAVHDDUSA-N 2 1 338.496 1.256 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000339313741 142011272 /nfs/dbraw/zinc/01/12/72/142011272.db2.gz FBACFZLDKOYPOK-IYBDPMFKSA-N 2 1 328.501 1.232 20 0 EDADMP COCC[NH+](C)CCNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339313741 142011274 /nfs/dbraw/zinc/01/12/74/142011274.db2.gz FBACFZLDKOYPOK-IYBDPMFKSA-N 2 1 328.501 1.232 20 0 EDADMP COCC[NH+](C)CCNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339313741 142011276 /nfs/dbraw/zinc/01/12/76/142011276.db2.gz FBACFZLDKOYPOK-IYBDPMFKSA-N 2 1 328.501 1.232 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000339415866 142041787 /nfs/dbraw/zinc/04/17/87/142041787.db2.gz WOADXCUCWLJFQN-IYBDPMFKSA-N 2 1 326.485 1.271 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000339923484 142201447 /nfs/dbraw/zinc/20/14/47/142201447.db2.gz OFHSZJUJTLZWDF-OAHLLOKOSA-N 2 1 340.512 1.070 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340249591 142319323 /nfs/dbraw/zinc/31/93/23/142319323.db2.gz CBBFGLBVUGFMQX-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP C[C@@H](CCNC(=O)NCC[NH+]1CCSCC1)[NH+]1CCCCC1 ZINC000345561830 143106098 /nfs/dbraw/zinc/10/60/98/143106098.db2.gz KYWQVUIMCGJWCD-HNNXBMFYSA-N 2 1 328.526 1.599 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCCC[NH+]2CCC(C)CC2)[N@@H+](C)C1 ZINC000345966760 143152295 /nfs/dbraw/zinc/15/22/95/143152295.db2.gz BWEDFSHXOXDSAN-DLBZAZTESA-N 2 1 340.512 1.469 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NCCC[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000345999560 143155744 /nfs/dbraw/zinc/15/57/44/143155744.db2.gz VSMMRTCWGRMURZ-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000346000102 143155923 /nfs/dbraw/zinc/15/59/23/143155923.db2.gz YMRMNGYEBHTKFT-IAGOWNOFSA-N 2 1 335.492 1.765 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[NH+]2CCCC2)o1 ZINC000346338673 143193537 /nfs/dbraw/zinc/19/35/37/143193537.db2.gz SFXRNFQAQROGFG-SJLPKXTDSA-N 2 1 349.475 1.950 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000347030331 143273892 /nfs/dbraw/zinc/27/38/92/143273892.db2.gz XTDIDXFUYZIXQC-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000347036662 143274658 /nfs/dbraw/zinc/27/46/58/143274658.db2.gz WBPWSPWIURICTN-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000347036662 143274659 /nfs/dbraw/zinc/27/46/59/143274659.db2.gz WBPWSPWIURICTN-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000347036662 143274660 /nfs/dbraw/zinc/27/46/60/143274660.db2.gz WBPWSPWIURICTN-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP C[C@@H]1COCCN1CCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000347968947 143385032 /nfs/dbraw/zinc/38/50/32/143385032.db2.gz RUFVJHHGKHYTQA-WBVHZDCISA-N 2 1 338.496 1.080 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000416843924 304351135 /nfs/dbraw/zinc/35/11/35/304351135.db2.gz PSEWQUVBBNAORL-DOTOQJQBSA-N 2 1 348.491 1.987 20 0 EDADMP COC[C@]1(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000416846835 304351761 /nfs/dbraw/zinc/35/17/61/304351761.db2.gz UQDJZNNAWPFWCH-IEBWSBKVSA-N 2 1 346.475 1.329 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)C1 ZINC000416863889 304353320 /nfs/dbraw/zinc/35/33/20/304353320.db2.gz HJDRWZBWUJZZLA-HOCLYGCPSA-N 2 1 326.485 1.112 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000352652301 149102433 /nfs/dbraw/zinc/10/24/33/149102433.db2.gz JRFTZRMGFJEGTQ-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000352652301 149102434 /nfs/dbraw/zinc/10/24/34/149102434.db2.gz JRFTZRMGFJEGTQ-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352652301 149102436 /nfs/dbraw/zinc/10/24/36/149102436.db2.gz JRFTZRMGFJEGTQ-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352652301 149102439 /nfs/dbraw/zinc/10/24/39/149102439.db2.gz JRFTZRMGFJEGTQ-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP CN(CCCN1CC[NH+](C)CC1)Cc1csc(N(C)C2CC2)n1 ZINC000352776282 149160614 /nfs/dbraw/zinc/16/06/14/149160614.db2.gz BLHDNENAEDNDJY-UHFFFAOYSA-N 2 1 337.537 1.811 20 0 EDADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000353093600 149283722 /nfs/dbraw/zinc/28/37/22/149283722.db2.gz UWVPSIBNIYABBU-BKQWOMNUSA-N 2 1 334.508 1.285 20 0 EDADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C[N@H+]1C1CC1 ZINC000353093600 149283724 /nfs/dbraw/zinc/28/37/24/149283724.db2.gz UWVPSIBNIYABBU-BKQWOMNUSA-N 2 1 334.508 1.285 20 0 EDADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[NH+]1C1CC1 ZINC000353093600 149283728 /nfs/dbraw/zinc/28/37/28/149283728.db2.gz UWVPSIBNIYABBU-BKQWOMNUSA-N 2 1 334.508 1.285 20 0 EDADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[NH+]1C1CC1 ZINC000353093600 149283730 /nfs/dbraw/zinc/28/37/30/149283730.db2.gz UWVPSIBNIYABBU-BKQWOMNUSA-N 2 1 334.508 1.285 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000416960183 304355602 /nfs/dbraw/zinc/35/56/02/304355602.db2.gz ZOWRKZBTTWBKTG-QXSJWSMHSA-N 2 1 326.485 1.302 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(N2CCN(C)CC2)CCCC1 ZINC000369928754 155239254 /nfs/dbraw/zinc/23/92/54/155239254.db2.gz VUHGWOZIQMUCQO-QGZVFWFLSA-N 2 1 336.524 1.537 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000369928754 155239258 /nfs/dbraw/zinc/23/92/58/155239258.db2.gz VUHGWOZIQMUCQO-QGZVFWFLSA-N 2 1 336.524 1.537 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CC[C@@H](C[NH2+]C)C1)[NH+]1CCOCC1 ZINC000416967169 304356733 /nfs/dbraw/zinc/35/67/33/304356733.db2.gz ZERJYOVBSCHFBW-DOTOQJQBSA-N 2 1 340.512 1.374 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000354904484 150023057 /nfs/dbraw/zinc/02/30/57/150023057.db2.gz WCMPSZJOCYZJCT-FUHWJXTLSA-N 2 1 348.491 1.713 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[NH2+][C@@H]2CCCSC2)cc[nH+]1 ZINC000354928262 150036930 /nfs/dbraw/zinc/03/69/30/150036930.db2.gz SYSYRNXSIIOVCK-MCIONIFRSA-N 2 1 339.484 1.945 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)cn2)CC1 ZINC000355224535 150172822 /nfs/dbraw/zinc/17/28/22/150172822.db2.gz QOZJHLYWRIGRCA-ZWKOTPCHSA-N 2 1 345.491 1.477 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]([C@@H]4CCOC4)C3)cn2)CC1 ZINC000355224535 150172823 /nfs/dbraw/zinc/17/28/23/150172823.db2.gz QOZJHLYWRIGRCA-ZWKOTPCHSA-N 2 1 345.491 1.477 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](C)CC[C@H]2C)C[C@@H](C)O1 ZINC000355483090 150286983 /nfs/dbraw/zinc/28/69/83/150286983.db2.gz RILHIUAEJYPSTL-BZUAXINKSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417044276 304365490 /nfs/dbraw/zinc/36/54/90/304365490.db2.gz QBNIIXAZIFWPKB-CVEARBPZSA-N 2 1 333.480 1.234 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC23CCCC3)C1 ZINC000370031886 155290878 /nfs/dbraw/zinc/29/08/78/155290878.db2.gz IKYDAYMYWJAEDY-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC23CCCC3)C1 ZINC000370031886 155290879 /nfs/dbraw/zinc/29/08/79/155290879.db2.gz IKYDAYMYWJAEDY-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC23CCCC3)C1 ZINC000370031886 155290880 /nfs/dbraw/zinc/29/08/80/155290880.db2.gz IKYDAYMYWJAEDY-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357658975 151105665 /nfs/dbraw/zinc/10/56/65/151105665.db2.gz CINWVZJDJZMKID-GVDBMIGSSA-N 2 1 342.528 1.905 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000357809018 151157009 /nfs/dbraw/zinc/15/70/09/151157009.db2.gz RPNVJPPDIFJVFJ-HZPDHXFCSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358122678 151279462 /nfs/dbraw/zinc/27/94/62/151279462.db2.gz ZGMYDRREMBAZNR-BQFCYCMXSA-N 2 1 334.508 1.146 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358122678 151279463 /nfs/dbraw/zinc/27/94/63/151279463.db2.gz ZGMYDRREMBAZNR-BQFCYCMXSA-N 2 1 334.508 1.146 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358122678 151279467 /nfs/dbraw/zinc/27/94/67/151279467.db2.gz ZGMYDRREMBAZNR-BQFCYCMXSA-N 2 1 334.508 1.146 20 0 EDADMP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)ccc1OCC(F)(F)F ZINC000358154614 151289659 /nfs/dbraw/zinc/28/96/59/151289659.db2.gz DSJIGTZZKKPJCK-OAHLLOKOSA-N 2 1 348.365 1.793 20 0 EDADMP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)ccc1OCC(F)(F)F ZINC000358154614 151289662 /nfs/dbraw/zinc/28/96/62/151289662.db2.gz DSJIGTZZKKPJCK-OAHLLOKOSA-N 2 1 348.365 1.793 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000358250955 151317250 /nfs/dbraw/zinc/31/72/50/151317250.db2.gz KLUWRHXRVBYGCQ-QGZVFWFLSA-N 2 1 325.403 1.590 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000358250955 151317251 /nfs/dbraw/zinc/31/72/51/151317251.db2.gz KLUWRHXRVBYGCQ-QGZVFWFLSA-N 2 1 325.403 1.590 20 0 EDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000358259714 151319961 /nfs/dbraw/zinc/31/99/61/151319961.db2.gz UQVSMSMJVKLCAD-SCLBCKFNSA-N 2 1 332.448 1.688 20 0 EDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000358259714 151319964 /nfs/dbraw/zinc/31/99/64/151319964.db2.gz UQVSMSMJVKLCAD-SCLBCKFNSA-N 2 1 332.448 1.688 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCOC)[C@@H](C)C1 ZINC000358311155 151333815 /nfs/dbraw/zinc/33/38/15/151333815.db2.gz KMGHVGSOZZQUMB-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCOC)[C@@H](C)C1 ZINC000358311155 151333816 /nfs/dbraw/zinc/33/38/16/151333816.db2.gz KMGHVGSOZZQUMB-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000358311155 151333818 /nfs/dbraw/zinc/33/38/18/151333818.db2.gz KMGHVGSOZZQUMB-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000358311155 151333820 /nfs/dbraw/zinc/33/38/20/151333820.db2.gz KMGHVGSOZZQUMB-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCCC[C@@H]2C)C1 ZINC000358409821 151366204 /nfs/dbraw/zinc/36/62/04/151366204.db2.gz ITQFKXYNOZQUDU-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCCC[C@@H]2C)C1 ZINC000358409821 151366207 /nfs/dbraw/zinc/36/62/07/151366207.db2.gz ITQFKXYNOZQUDU-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCCC[C@@H]2C)C1 ZINC000358409821 151366210 /nfs/dbraw/zinc/36/62/10/151366210.db2.gz ITQFKXYNOZQUDU-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000358419809 151368974 /nfs/dbraw/zinc/36/89/74/151368974.db2.gz JMPSYSWFVOCDPJ-IRXDYDNUSA-N 2 1 342.528 1.763 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000358419809 151368975 /nfs/dbraw/zinc/36/89/75/151368975.db2.gz JMPSYSWFVOCDPJ-IRXDYDNUSA-N 2 1 342.528 1.763 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000358419809 151368976 /nfs/dbraw/zinc/36/89/76/151368976.db2.gz JMPSYSWFVOCDPJ-IRXDYDNUSA-N 2 1 342.528 1.763 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000358430105 151372428 /nfs/dbraw/zinc/37/24/28/151372428.db2.gz YYZYOYAJVRDXSN-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000358430105 151372430 /nfs/dbraw/zinc/37/24/30/151372430.db2.gz YYZYOYAJVRDXSN-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000417116695 304374074 /nfs/dbraw/zinc/37/40/74/304374074.db2.gz PTWRNIQZQNHEAL-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000417116695 304374075 /nfs/dbraw/zinc/37/40/75/304374075.db2.gz PTWRNIQZQNHEAL-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000417116958 304374229 /nfs/dbraw/zinc/37/42/29/304374229.db2.gz REGYJZOPFARTGH-MPGHIAIKSA-N 2 1 348.491 1.832 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000360509448 152074469 /nfs/dbraw/zinc/07/44/69/152074469.db2.gz XTIFBSWYXVKBTM-MRXNPFEDSA-N 2 1 345.491 1.583 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360745763 152182285 /nfs/dbraw/zinc/18/22/85/152182285.db2.gz NDJDNXYILYIISI-DOTOQJQBSA-N 2 1 342.553 1.940 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@@H](C)C1 ZINC000361174801 152326982 /nfs/dbraw/zinc/32/69/82/152326982.db2.gz GDIDMVGFOLQLML-PKOBYXMFSA-N 3 1 341.540 1.417 20 0 EDADMP CCOCCCN1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@@H](C)C1 ZINC000361174801 152326985 /nfs/dbraw/zinc/32/69/85/152326985.db2.gz GDIDMVGFOLQLML-PKOBYXMFSA-N 2 1 341.540 1.417 20 0 EDADMP COC[C@@H](C)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363591106 153007696 /nfs/dbraw/zinc/00/76/96/153007696.db2.gz ALELXOMZDBYJHV-OAHLLOKOSA-N 2 1 340.512 1.517 20 0 EDADMP COCc1noc([C@H](C)[NH2+][C@H]2CCCN(c3cc(C)nc(C)n3)C2)n1 ZINC000363650882 153023038 /nfs/dbraw/zinc/02/30/38/153023038.db2.gz JHBTTZISUQFCCA-JSGCOSHPSA-N 2 1 346.435 1.942 20 0 EDADMP Cn1ccc(CC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000363692734 153031537 /nfs/dbraw/zinc/03/15/37/153031537.db2.gz WWWOMBVNQXJVLK-UHFFFAOYSA-N 2 1 347.507 1.275 20 0 EDADMP C(C[N@H+]1CCC2(C1)CC[NH+](CCC1OCCO1)CC2)C1OCCO1 ZINC000364120557 153149631 /nfs/dbraw/zinc/14/96/31/153149631.db2.gz PVYDUMRAVUHKPA-UHFFFAOYSA-N 2 1 340.464 1.300 20 0 EDADMP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000364218598 153178196 /nfs/dbraw/zinc/17/81/96/153178196.db2.gz HRKNDBIIOJJSGF-GOSISDBHSA-N 2 1 331.460 1.270 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000367200662 154039515 /nfs/dbraw/zinc/03/95/15/154039515.db2.gz PLQCNPYQDNCABX-AZUAARDMSA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000367200662 154039518 /nfs/dbraw/zinc/03/95/18/154039518.db2.gz PLQCNPYQDNCABX-AZUAARDMSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000367200662 154039520 /nfs/dbraw/zinc/03/95/20/154039520.db2.gz PLQCNPYQDNCABX-AZUAARDMSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000367200662 154039523 /nfs/dbraw/zinc/03/95/23/154039523.db2.gz PLQCNPYQDNCABX-AZUAARDMSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCOCC3)n2)[C@H]2CCC[C@@H]21 ZINC000367621808 154202713 /nfs/dbraw/zinc/20/27/13/154202713.db2.gz UFQLMCDCEHVOGQ-SQNIBIBYSA-N 2 1 330.476 1.881 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)COCC(F)(F)F ZINC000367925468 154329670 /nfs/dbraw/zinc/32/96/70/154329670.db2.gz LUMKUDJGVVMMCK-XJFOESAGSA-N 2 1 340.386 1.110 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000375059962 292348827 /nfs/dbraw/zinc/34/88/27/292348827.db2.gz KZWKTBXFWQJTMT-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP CCCC(=O)N1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000374290835 157227755 /nfs/dbraw/zinc/22/77/55/157227755.db2.gz HBGHFZKEWIIEOE-UHFFFAOYSA-N 2 1 338.540 1.737 20 0 EDADMP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374295077 157230415 /nfs/dbraw/zinc/23/04/15/157230415.db2.gz IXGACCWFYMZDBS-KGLIPLIRSA-N 2 1 348.491 1.559 20 0 EDADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000374557952 157328236 /nfs/dbraw/zinc/32/82/36/157328236.db2.gz AVCGWIUXLXOQLZ-HXUWFJFHSA-N 2 1 345.487 1.177 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000374557952 157328244 /nfs/dbraw/zinc/32/82/44/157328244.db2.gz AVCGWIUXLXOQLZ-HXUWFJFHSA-N 2 1 345.487 1.177 20 0 EDADMP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000377934389 158032731 /nfs/dbraw/zinc/03/27/31/158032731.db2.gz AAOSELXDLUPEDG-WMLDXEAASA-N 2 1 329.460 1.283 20 0 EDADMP C[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000377934389 158032733 /nfs/dbraw/zinc/03/27/33/158032733.db2.gz AAOSELXDLUPEDG-WMLDXEAASA-N 2 1 329.460 1.283 20 0 EDADMP Cc1nc(C)c(C)c(NC2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000378158149 158095790 /nfs/dbraw/zinc/09/57/90/158095790.db2.gz KYIMBHFUMZBEPR-UHFFFAOYSA-N 2 1 331.464 1.901 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000352208720 162052203 /nfs/dbraw/zinc/05/22/03/162052203.db2.gz SFKDTKJNTABUIF-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000352215024 162055407 /nfs/dbraw/zinc/05/54/07/162055407.db2.gz YXKJAUMUKYTLAG-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP O=C(NC1CCN(Cc2ccccn2)CC1)[C@@H]1CCCc2nccn21 ZINC000352453609 162189304 /nfs/dbraw/zinc/18/93/04/162189304.db2.gz PBUDVJNTIIGROQ-KRWDZBQOSA-N 2 1 339.443 1.936 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000352562371 162256508 /nfs/dbraw/zinc/25/65/08/162256508.db2.gz KAYAITACROSYLN-MRXNPFEDSA-N 2 1 342.509 1.575 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000352562371 162256510 /nfs/dbraw/zinc/25/65/10/162256510.db2.gz KAYAITACROSYLN-MRXNPFEDSA-N 2 1 342.509 1.575 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000363063540 162312459 /nfs/dbraw/zinc/31/24/59/162312459.db2.gz DYNHOGZHOPXDNV-BRWVUGGUSA-N 2 1 338.496 1.413 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363063540 162312465 /nfs/dbraw/zinc/31/24/65/162312465.db2.gz DYNHOGZHOPXDNV-BRWVUGGUSA-N 2 1 338.496 1.413 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363063540 162312467 /nfs/dbraw/zinc/31/24/67/162312467.db2.gz DYNHOGZHOPXDNV-BRWVUGGUSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C[C@H]1C ZINC000186122779 287091757 /nfs/dbraw/zinc/09/17/57/287091757.db2.gz GZPJYAYSPAVXMV-GVDBMIGSSA-N 2 1 340.512 1.347 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000418312783 304478472 /nfs/dbraw/zinc/47/84/72/304478472.db2.gz HPZWLRHRCYKDDH-HNNXBMFYSA-N 2 1 336.505 1.617 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000665763936 452348258 /nfs/dbraw/zinc/34/82/58/452348258.db2.gz POSZNIWFPGVJAX-ARFHVFGLSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000665763936 452348266 /nfs/dbraw/zinc/34/82/66/452348266.db2.gz POSZNIWFPGVJAX-ARFHVFGLSA-N 2 1 328.501 1.515 20 0 EDADMP Cc1c(C(=O)NCC[N@H+](C)C2CCCCC2)nnn1C1CC[NH2+]CC1 ZINC000237147872 273008161 /nfs/dbraw/zinc/00/81/61/273008161.db2.gz YRWHCYYJYWRGQY-UHFFFAOYSA-N 2 1 348.495 1.505 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261749311 273017291 /nfs/dbraw/zinc/01/72/91/273017291.db2.gz LAUGCEXQPVODNL-IEBWSBKVSA-N 2 1 345.487 1.721 20 0 EDADMP CC[N@@H+](CCC(=O)OC)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000274675855 268181313 /nfs/dbraw/zinc/18/13/13/268181313.db2.gz UUVJBPMOJFQWJO-INIZCTEOSA-N 2 1 335.448 1.291 20 0 EDADMP COc1ccc(C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)c(OC)c1 ZINC000275303214 268318490 /nfs/dbraw/zinc/31/84/90/268318490.db2.gz QGQMBJOSDVFPCM-UHFFFAOYSA-N 2 1 335.448 1.300 20 0 EDADMP COc1ccc(C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)c(OC)c1 ZINC000275303214 268318493 /nfs/dbraw/zinc/31/84/93/268318493.db2.gz QGQMBJOSDVFPCM-UHFFFAOYSA-N 2 1 335.448 1.300 20 0 EDADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000279042175 268774521 /nfs/dbraw/zinc/77/45/21/268774521.db2.gz XHFSSJKWJCMMPI-QWHCGFSZSA-N 2 1 334.445 1.444 20 0 EDADMP C[C@@H](C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000273564215 273045174 /nfs/dbraw/zinc/04/51/74/273045174.db2.gz XALIWYZSUOIEGS-INIZCTEOSA-N 2 1 348.491 1.338 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCCCO ZINC000276341226 273161169 /nfs/dbraw/zinc/16/11/69/273161169.db2.gz HCGDPHNXLDKKSS-WMZOPIPTSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCCCO ZINC000276341226 273161171 /nfs/dbraw/zinc/16/11/71/273161171.db2.gz HCGDPHNXLDKKSS-WMZOPIPTSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCCCO ZINC000276341226 273161172 /nfs/dbraw/zinc/16/11/72/273161172.db2.gz HCGDPHNXLDKKSS-WMZOPIPTSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655911704 452668461 /nfs/dbraw/zinc/66/84/61/452668461.db2.gz LWPMGUHUOJOULV-FRRDWIJNSA-N 2 1 338.418 1.933 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000178674043 273893264 /nfs/dbraw/zinc/89/32/64/273893264.db2.gz OMOMAGPTLVUHMN-KRWDZBQOSA-N 2 1 333.501 1.771 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000283637667 273911668 /nfs/dbraw/zinc/91/16/68/273911668.db2.gz XAHKJFPRJIULOY-UHFFFAOYSA-N 2 1 349.479 1.080 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000284027846 274052865 /nfs/dbraw/zinc/05/28/65/274052865.db2.gz OOXBLGQGOPQULJ-QGZVFWFLSA-N 2 1 340.471 1.963 20 0 EDADMP CCC(CC)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378436124 276211110 /nfs/dbraw/zinc/21/11/10/276211110.db2.gz VMKJXNVPFVDIMO-MAUKXSAKSA-N 2 1 338.540 1.780 20 0 EDADMP CCC(CC)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378436124 276211113 /nfs/dbraw/zinc/21/11/13/276211113.db2.gz VMKJXNVPFVDIMO-MAUKXSAKSA-N 2 1 338.540 1.780 20 0 EDADMP CC[N@@H+]1CCc2nc(NC(=O)C[C@H]3CSCC[NH2+]3)sc2C1 ZINC000236828202 276237249 /nfs/dbraw/zinc/23/72/49/276237249.db2.gz YKTONJGLYJDAKE-JTQLQIEISA-N 2 1 326.491 1.555 20 0 EDADMP CC[N@H+]1CCc2nc(NC(=O)C[C@H]3CSCC[NH2+]3)sc2C1 ZINC000236828202 276237250 /nfs/dbraw/zinc/23/72/50/276237250.db2.gz YKTONJGLYJDAKE-JTQLQIEISA-N 2 1 326.491 1.555 20 0 EDADMP C[NH+]1CCC(O)(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000267024053 277032300 /nfs/dbraw/zinc/03/23/00/277032300.db2.gz DCKIKALPFYDZQP-GOSISDBHSA-N 2 1 345.487 1.614 20 0 EDADMP COC1(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CCOCC1 ZINC000372967466 277185429 /nfs/dbraw/zinc/18/54/29/277185429.db2.gz NLOIMGKGCWTRBC-DLBZAZTESA-N 2 1 325.497 1.140 20 0 EDADMP CO[C@@H]1CC[C@H]2OCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC000249207553 277296657 /nfs/dbraw/zinc/29/66/57/277296657.db2.gz BWIDXPNZKRFLRZ-GUDVDZBRSA-N 2 1 339.524 1.671 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@@H]1[NH+]1CCCC1 ZINC000355803440 277522443 /nfs/dbraw/zinc/52/24/43/277522443.db2.gz IKOSEPCVSHVNFF-QLFBSQMISA-N 2 1 334.489 1.799 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000338283140 278111785 /nfs/dbraw/zinc/11/17/85/278111785.db2.gz HFYDESDXJHASDD-BFYDXBDKSA-N 2 1 341.521 1.217 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000338283140 278111787 /nfs/dbraw/zinc/11/17/87/278111787.db2.gz HFYDESDXJHASDD-BFYDXBDKSA-N 2 1 341.521 1.217 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000338283140 278111788 /nfs/dbraw/zinc/11/17/88/278111788.db2.gz HFYDESDXJHASDD-BFYDXBDKSA-N 2 1 341.521 1.217 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272754165 278228876 /nfs/dbraw/zinc/22/88/76/278228876.db2.gz JJRPDFSQIXKSPJ-YJBOKZPZSA-N 2 1 348.491 1.393 20 0 EDADMP C[C@@H](CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000358722428 278232688 /nfs/dbraw/zinc/23/26/88/278232688.db2.gz ODLUVBQVMGVOJD-QFBILLFUSA-N 2 1 348.491 1.263 20 0 EDADMP C[C@@H](CCNC(=O)NC[C@]1(O)CC[NH+](C)C1)[N@H+](C)Cc1ccccc1 ZINC000358722428 278232690 /nfs/dbraw/zinc/23/26/90/278232690.db2.gz ODLUVBQVMGVOJD-QFBILLFUSA-N 2 1 348.491 1.263 20 0 EDADMP C[C@@H](CCNC(=O)NC[C@]1(O)CC[NH+](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000358722428 278232691 /nfs/dbraw/zinc/23/26/91/278232691.db2.gz ODLUVBQVMGVOJD-QFBILLFUSA-N 2 1 348.491 1.263 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000347921387 278783803 /nfs/dbraw/zinc/78/38/03/278783803.db2.gz CITWBXPRJBJZME-UHFFFAOYSA-N 2 1 346.479 1.838 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000357966706 279125615 /nfs/dbraw/zinc/12/56/15/279125615.db2.gz ZIBODQNNVXDLQR-ZACQAIPSSA-N 2 1 340.512 1.467 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000341242581 279302695 /nfs/dbraw/zinc/30/26/95/279302695.db2.gz WZHOCNGZJZKFIK-BRWVUGGUSA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000363802814 279321155 /nfs/dbraw/zinc/32/11/55/279321155.db2.gz KFNPPNSNXNVXPL-YESZJQIVSA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000363802814 279321158 /nfs/dbraw/zinc/32/11/58/279321158.db2.gz KFNPPNSNXNVXPL-YESZJQIVSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000287071508 288149749 /nfs/dbraw/zinc/14/97/49/288149749.db2.gz QBDHQRYABYANBU-XJKSGUPXSA-N 2 1 347.463 1.208 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000287071508 288149752 /nfs/dbraw/zinc/14/97/52/288149752.db2.gz QBDHQRYABYANBU-XJKSGUPXSA-N 2 1 347.463 1.208 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000418197554 280104390 /nfs/dbraw/zinc/10/43/90/280104390.db2.gz TWWRZCZATKOWEX-RANZSIQMSA-N 2 1 328.460 1.653 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000287308503 288206184 /nfs/dbraw/zinc/20/61/84/288206184.db2.gz DWVFOGGAVNOWNJ-PBHICJAKSA-N 2 1 329.444 1.993 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1CCCCC1 ZINC000452781678 280175152 /nfs/dbraw/zinc/17/51/52/280175152.db2.gz JDEOPQYRIJONFR-IAGOWNOFSA-N 2 1 325.497 1.460 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000372826476 280175366 /nfs/dbraw/zinc/17/53/66/280175366.db2.gz VJNMUEZVZSMYHW-FGTMMUONSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000372826476 280175367 /nfs/dbraw/zinc/17/53/67/280175367.db2.gz VJNMUEZVZSMYHW-FGTMMUONSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)[NH+]1CCOCC1 ZINC000355448741 280245983 /nfs/dbraw/zinc/24/59/83/280245983.db2.gz VDKRNODBWYQWDL-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1CCOCC1 ZINC000355448741 280245988 /nfs/dbraw/zinc/24/59/88/280245988.db2.gz VDKRNODBWYQWDL-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)[NH+]1CCN(C)CC1 ZINC000345476109 280247022 /nfs/dbraw/zinc/24/70/22/280247022.db2.gz GAIDQFLBAXNOCY-BBWFWOEESA-N 2 1 339.528 1.040 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000345476109 280247023 /nfs/dbraw/zinc/24/70/23/280247023.db2.gz GAIDQFLBAXNOCY-BBWFWOEESA-N 2 1 339.528 1.040 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000345476109 280247025 /nfs/dbraw/zinc/24/70/25/280247025.db2.gz GAIDQFLBAXNOCY-BBWFWOEESA-N 2 1 339.528 1.040 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)CCCCC2)CCO1 ZINC000444180748 281230347 /nfs/dbraw/zinc/23/03/47/281230347.db2.gz IAMYOLFLFCCYGE-APWZRJJASA-N 2 1 349.519 1.916 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCn2cncc2C1 ZINC000291202329 289017413 /nfs/dbraw/zinc/01/74/13/289017413.db2.gz UTAQUMKWUJQSAV-GOSISDBHSA-N 2 1 340.427 1.516 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCn2cncc2C1 ZINC000291202329 289017415 /nfs/dbraw/zinc/01/74/15/289017415.db2.gz UTAQUMKWUJQSAV-GOSISDBHSA-N 2 1 340.427 1.516 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000291670338 289144738 /nfs/dbraw/zinc/14/47/38/289144738.db2.gz BEDBIWYCXPFFNM-ZIFCJYIRSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+](C)CCNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000378286973 289160815 /nfs/dbraw/zinc/16/08/15/289160815.db2.gz AKSKPQXXHNAXNZ-UHFFFAOYSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[NH+]1CCSCC1 ZINC000152852719 289277774 /nfs/dbraw/zinc/27/77/74/289277774.db2.gz FPYWRHVZLWTYQW-CVEARBPZSA-N 2 1 325.522 1.901 20 0 EDADMP C[C@H](C(=O)N1CC[NH2+]C[C@H]1c1nccn1C)[C@@H]([NH3+])c1ccccc1 ZINC000375071473 289289395 /nfs/dbraw/zinc/28/93/95/289289395.db2.gz OQGPYTCUOOTTID-CWRNSKLLSA-N 2 1 327.432 1.229 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCSC1 ZINC000458526773 289399829 /nfs/dbraw/zinc/39/98/29/289399829.db2.gz WMTBGPJENBCYGL-IRXDYDNUSA-N 2 1 340.537 1.551 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NCC[NH2+]C(C)(C)C)c2ccccc2)CC1 ZINC000097594113 290053538 /nfs/dbraw/zinc/05/35/38/290053538.db2.gz XMXCWCHGTAATOH-QGZVFWFLSA-N 2 1 332.492 1.479 20 0 EDADMP C[C@H](C1CC1)N(C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CC1 ZINC000420324735 298251732 /nfs/dbraw/zinc/25/17/32/298251732.db2.gz HOXZESNTHGPLID-GDBMZVCRSA-N 2 1 335.492 1.463 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000414958862 299004666 /nfs/dbraw/zinc/00/46/66/299004666.db2.gz DSLODEKOHGIVMM-LXZKKBNFSA-N 2 1 344.459 1.588 20 0 EDADMP C[C@H]1CN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH+](C)C ZINC000362652134 300139874 /nfs/dbraw/zinc/13/98/74/300139874.db2.gz JLEJVRYFSLLTEB-CAOSSQGBSA-N 2 1 340.512 1.466 20 0 EDADMP C[C@H]1CN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH+](C)C ZINC000362652134 300139875 /nfs/dbraw/zinc/13/98/75/300139875.db2.gz JLEJVRYFSLLTEB-CAOSSQGBSA-N 2 1 340.512 1.466 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000422026261 447315124 /nfs/dbraw/zinc/31/51/24/447315124.db2.gz SYLQANAFICMULS-NCOADZHNSA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000422026261 447315131 /nfs/dbraw/zinc/31/51/31/447315131.db2.gz SYLQANAFICMULS-NCOADZHNSA-N 2 1 325.497 1.673 20 0 EDADMP Cc1cnn([C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)c1 ZINC000377723862 447316922 /nfs/dbraw/zinc/31/69/22/447316922.db2.gz NJOFNBJHFHVSKM-KRWDZBQOSA-N 2 1 333.480 1.427 20 0 EDADMP Cc1cnn([C@H]2CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)c1 ZINC000377723862 447316926 /nfs/dbraw/zinc/31/69/26/447316926.db2.gz NJOFNBJHFHVSKM-KRWDZBQOSA-N 2 1 333.480 1.427 20 0 EDADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414755002 447322946 /nfs/dbraw/zinc/32/29/46/447322946.db2.gz GYJHXEAVGPXJMH-QAPCUYQASA-N 2 1 339.480 1.095 20 0 EDADMP Cn1nccc1[C@H]1OCC[C@H]1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000343513974 303090940 /nfs/dbraw/zinc/09/09/40/303090940.db2.gz IIUYHPFMKUAHLF-RDJZCZTQSA-N 2 1 335.496 1.113 20 0 EDADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295502678 303227617 /nfs/dbraw/zinc/22/76/17/303227617.db2.gz BTBBLKIFZZZQAO-WMLDXEAASA-N 2 1 325.416 1.966 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@H](C)CO)CC1 ZINC000295872145 303278225 /nfs/dbraw/zinc/27/82/25/303278225.db2.gz ZCYUQMFHUWBNRW-IAGOWNOFSA-N 2 1 333.476 1.246 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000458369294 447331065 /nfs/dbraw/zinc/33/10/65/447331065.db2.gz OFWSWLXECVJMOV-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000458369294 447331071 /nfs/dbraw/zinc/33/10/71/447331071.db2.gz OFWSWLXECVJMOV-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000458369294 447331077 /nfs/dbraw/zinc/33/10/77/447331077.db2.gz OFWSWLXECVJMOV-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000419667533 447333208 /nfs/dbraw/zinc/33/32/08/447333208.db2.gz BVIFRUJWEWYSTC-HZPDHXFCSA-N 2 1 340.512 1.055 20 0 EDADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414881996 447342440 /nfs/dbraw/zinc/34/24/40/447342440.db2.gz LUDHOBHYPLDNSX-CJNGLKHVSA-N 2 1 332.448 1.443 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414881996 447342442 /nfs/dbraw/zinc/34/24/42/447342442.db2.gz LUDHOBHYPLDNSX-CJNGLKHVSA-N 2 1 332.448 1.443 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)C(C)C ZINC000422098306 447346314 /nfs/dbraw/zinc/34/63/14/447346314.db2.gz BUENOYPDVWLYLF-INIZCTEOSA-N 2 1 340.512 1.116 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)COC1CC[NH2+]CC1)[NH+](C)C ZINC000423310914 304892132 /nfs/dbraw/zinc/89/21/32/304892132.db2.gz SPGGJFDLTCWGCD-MRXNPFEDSA-N 2 1 335.448 1.183 20 0 EDADMP [NH3+]C1CCN(CCCC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000423705986 304904757 /nfs/dbraw/zinc/90/47/57/304904757.db2.gz AOLXSLIXDURXCM-UHFFFAOYSA-N 2 1 336.524 1.667 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)cc2F)CC1 ZINC000423983686 304922262 /nfs/dbraw/zinc/92/22/62/304922262.db2.gz TUYCEEFTBGNBLB-CJNGLKHVSA-N 2 1 334.439 1.387 20 0 EDADMP C[C@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000428950633 305020731 /nfs/dbraw/zinc/02/07/31/305020731.db2.gz GBXKSZIRDKLFEZ-QFBILLFUSA-N 2 1 344.503 1.552 20 0 EDADMP COC1(C[C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)CCC1 ZINC000429531919 305031676 /nfs/dbraw/zinc/03/16/76/305031676.db2.gz YGAGLWNGXWNXGY-OAHLLOKOSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000430608837 305058575 /nfs/dbraw/zinc/05/85/75/305058575.db2.gz GHPUHVRMNYDJTR-HKUYNNGSSA-N 2 1 344.503 1.533 20 0 EDADMP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cs2)o1 ZINC000430612464 305058892 /nfs/dbraw/zinc/05/88/92/305058892.db2.gz RMZFNUPVEWABRV-CYBMUJFWSA-N 2 1 348.472 1.998 20 0 EDADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cs2)o1 ZINC000430612464 305058893 /nfs/dbraw/zinc/05/88/93/305058893.db2.gz RMZFNUPVEWABRV-CYBMUJFWSA-N 2 1 348.472 1.998 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000430778759 305064809 /nfs/dbraw/zinc/06/48/09/305064809.db2.gz VESZOFPNBCXRDT-KSSFIOAISA-N 2 1 347.459 1.312 20 0 EDADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C1 ZINC000430941234 305069606 /nfs/dbraw/zinc/06/96/06/305069606.db2.gz VDYCYZFVHVHQRX-CYBMUJFWSA-N 2 1 345.365 1.525 20 0 EDADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C1 ZINC000430941234 305069607 /nfs/dbraw/zinc/06/96/07/305069607.db2.gz VDYCYZFVHVHQRX-CYBMUJFWSA-N 2 1 345.365 1.525 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(C)[C@@H](C)C[NH3+])CC1 ZINC000430950006 305070127 /nfs/dbraw/zinc/07/01/27/305070127.db2.gz PFZRYTLGGMKBRP-KRWDZBQOSA-N 2 1 332.492 1.308 20 0 EDADMP CCC[N@H+](CC(=O)NCCOc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000431094769 305075148 /nfs/dbraw/zinc/07/51/48/305075148.db2.gz CMMONLLCDSPHRZ-UHFFFAOYSA-N 2 1 337.439 1.785 20 0 EDADMP CCC[N@@H+](CC(=O)NCCOc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000431094769 305075149 /nfs/dbraw/zinc/07/51/49/305075149.db2.gz CMMONLLCDSPHRZ-UHFFFAOYSA-N 2 1 337.439 1.785 20 0 EDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000431955954 305085140 /nfs/dbraw/zinc/08/51/40/305085140.db2.gz SHKCQQXVWUFBEY-WBVHZDCISA-N 2 1 330.436 1.185 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000433395210 305107739 /nfs/dbraw/zinc/10/77/39/305107739.db2.gz PZNHNWZGMFEWPE-HZPDHXFCSA-N 2 1 338.496 1.437 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000433395210 305107740 /nfs/dbraw/zinc/10/77/40/305107740.db2.gz PZNHNWZGMFEWPE-HZPDHXFCSA-N 2 1 338.496 1.437 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000433395210 305107741 /nfs/dbraw/zinc/10/77/41/305107741.db2.gz PZNHNWZGMFEWPE-HZPDHXFCSA-N 2 1 338.496 1.437 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000434684561 305127567 /nfs/dbraw/zinc/12/75/67/305127567.db2.gz LQYZBBFECCXFSI-HIFRSBDPSA-N 2 1 332.448 1.450 20 0 EDADMP C[NH+](C)CCC1CC[NH+](CC(=O)NCC(=O)c2ccccc2)CC1 ZINC000434813488 305130932 /nfs/dbraw/zinc/13/09/32/305130932.db2.gz IATBESPZXXKDLL-UHFFFAOYSA-N 2 1 331.460 1.649 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000435373062 305139429 /nfs/dbraw/zinc/13/94/29/305139429.db2.gz LRQLMARQKBFYBN-JKSUJKDBSA-N 2 1 331.460 1.857 20 0 EDADMP C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000435580265 305142869 /nfs/dbraw/zinc/14/28/69/305142869.db2.gz PPHYDLBNLANMRK-HOTGVXAUSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2CC(C)C)C1 ZINC000438854427 305190129 /nfs/dbraw/zinc/19/01/29/305190129.db2.gz WITPOCXLXBMWGX-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000438854427 305190130 /nfs/dbraw/zinc/19/01/30/305190130.db2.gz WITPOCXLXBMWGX-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000438854427 305190131 /nfs/dbraw/zinc/19/01/31/305190131.db2.gz WITPOCXLXBMWGX-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-n3ccnc3)cc2)CC1(C)C ZINC000441388168 305221888 /nfs/dbraw/zinc/22/18/88/305221888.db2.gz RPQIGGIFSWOHEP-UHFFFAOYSA-N 2 1 327.476 1.988 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000442890545 305230377 /nfs/dbraw/zinc/23/03/77/305230377.db2.gz OTVIJAQGNRQQPH-LLVKDONJSA-N 2 1 334.386 1.953 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000444371297 305247280 /nfs/dbraw/zinc/24/72/80/305247280.db2.gz GKXKZRBEZTWBHA-YJBOKZPZSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000444371297 305247281 /nfs/dbraw/zinc/24/72/81/305247281.db2.gz GKXKZRBEZTWBHA-YJBOKZPZSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000444371297 305247282 /nfs/dbraw/zinc/24/72/82/305247282.db2.gz GKXKZRBEZTWBHA-YJBOKZPZSA-N 2 1 337.508 1.697 20 0 EDADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000446365714 305263798 /nfs/dbraw/zinc/26/37/98/305263798.db2.gz BEQISSVTMMPXLN-PSFFPDNBSA-N 2 1 335.492 1.652 20 0 EDADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cccc21 ZINC000447723990 305284537 /nfs/dbraw/zinc/28/45/37/305284537.db2.gz SMVOHRPLABVWEN-SJORKVTESA-N 2 1 344.459 1.400 20 0 EDADMP CC[N@@H+](CCO)CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449246576 305309458 /nfs/dbraw/zinc/30/94/58/305309458.db2.gz CGAICSBSHBMJOI-SFHVURJKSA-N 2 1 333.520 1.986 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449329031 305311740 /nfs/dbraw/zinc/31/17/40/305311740.db2.gz HDRNNJWTHJDHNZ-BEFAXECRSA-N 2 1 326.444 1.875 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000449349032 305312332 /nfs/dbraw/zinc/31/23/32/305312332.db2.gz OBFVMIMZUACYGN-POAQFYNOSA-N 2 1 345.487 1.221 20 0 EDADMP CCC(CC)[C@@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000449684302 305316849 /nfs/dbraw/zinc/31/68/49/305316849.db2.gz OYYFQADGOFUHIJ-IRXDYDNUSA-N 2 1 325.497 1.772 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cn1ccnn1 ZINC000459697937 305523571 /nfs/dbraw/zinc/52/35/71/305523571.db2.gz NFPXUUCWEUTUNX-GOSISDBHSA-N 2 1 347.438 1.075 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000414934720 447362920 /nfs/dbraw/zinc/36/29/20/447362920.db2.gz TUOMXQJGSBTOFS-INIZCTEOSA-N 2 1 330.432 1.041 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000414934720 447362925 /nfs/dbraw/zinc/36/29/25/447362925.db2.gz TUOMXQJGSBTOFS-INIZCTEOSA-N 2 1 330.432 1.041 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000543713591 306067487 /nfs/dbraw/zinc/06/74/87/306067487.db2.gz WJJMGXXDRNGXTO-UHFFFAOYSA-N 2 1 336.399 1.962 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000548102186 306119884 /nfs/dbraw/zinc/11/98/84/306119884.db2.gz YBEXBGDBCMHWBP-DLBZAZTESA-N 2 1 338.496 1.100 20 0 EDADMP O=C([C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1)N1CCOCC1 ZINC000556952043 306221911 /nfs/dbraw/zinc/22/19/11/306221911.db2.gz RGMOZEHQGCTRGB-QZTJIDSGSA-N 2 1 331.460 1.188 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000557133924 306224703 /nfs/dbraw/zinc/22/47/03/306224703.db2.gz GWGJEBKWPIAMQV-KBAYOESNSA-N 2 1 330.476 1.948 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)Cn3cccn3)CC2)CC1 ZINC000557515280 306228870 /nfs/dbraw/zinc/22/88/70/306228870.db2.gz UBUFXZAUFAMYGK-INIZCTEOSA-N 2 1 347.507 1.584 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[NH+](C)[C@@H]1C ZINC000426210180 447399504 /nfs/dbraw/zinc/39/95/04/447399504.db2.gz LBVGRJZKHNOLLO-BFYDXBDKSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000426210180 447399509 /nfs/dbraw/zinc/39/95/09/447399509.db2.gz LBVGRJZKHNOLLO-BFYDXBDKSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000426210180 447399513 /nfs/dbraw/zinc/39/95/13/447399513.db2.gz LBVGRJZKHNOLLO-BFYDXBDKSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[N@@H+](C)C1CC1 ZINC000105169894 441239634 /nfs/dbraw/zinc/23/96/34/441239634.db2.gz LWGXNGSPEKDBNA-WBVHZDCISA-N 2 1 332.492 1.941 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)C[NH+]1CCCC1 ZINC000072987542 441283049 /nfs/dbraw/zinc/28/30/49/441283049.db2.gz KXFAHRCCIUTIDS-AEFFLSMTSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)C[NH+]1CCCC1 ZINC000072987542 441283053 /nfs/dbraw/zinc/28/30/53/441283053.db2.gz KXFAHRCCIUTIDS-AEFFLSMTSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)C[NH+]1CCCCC1 ZINC000083712535 441368811 /nfs/dbraw/zinc/36/88/11/441368811.db2.gz UIGLQTLWRKHMTB-CQSZACIVSA-N 2 1 336.484 1.407 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000052004122 441430920 /nfs/dbraw/zinc/43/09/20/441430920.db2.gz QSTOXPPAAGDTDP-QGZVFWFLSA-N 2 1 336.524 1.489 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NC(=O)NCC(C)C)CC1 ZINC000052208534 441440424 /nfs/dbraw/zinc/44/04/24/441440424.db2.gz SPVBLJUXXWTVTC-UHFFFAOYSA-N 2 1 340.512 1.912 20 0 EDADMP C[N@@H+](CCCN1C(=O)CNC1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110206 441599759 /nfs/dbraw/zinc/59/97/59/441599759.db2.gz UGWKIHGLSASXNJ-QGZVFWFLSA-N 2 1 344.459 1.382 20 0 EDADMP C[NH+](CCCN1C(=O)CNC1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110206 441599762 /nfs/dbraw/zinc/59/97/62/441599762.db2.gz UGWKIHGLSASXNJ-QGZVFWFLSA-N 2 1 344.459 1.382 20 0 EDADMP C[NH+](CCCN1C(=O)CNC1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110206 441599766 /nfs/dbraw/zinc/59/97/66/441599766.db2.gz UGWKIHGLSASXNJ-QGZVFWFLSA-N 2 1 344.459 1.382 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000091367813 441697944 /nfs/dbraw/zinc/69/79/44/441697944.db2.gz GTNMQOFTTCEUPS-YUELXQCFSA-N 2 1 325.478 1.857 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000158189645 441702375 /nfs/dbraw/zinc/70/23/75/441702375.db2.gz KLOVHQALLGMSAR-KGLIPLIRSA-N 2 1 325.478 1.587 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000158189645 441702385 /nfs/dbraw/zinc/70/23/85/441702385.db2.gz KLOVHQALLGMSAR-KGLIPLIRSA-N 2 1 325.478 1.587 20 0 EDADMP CC[NH+](CC)CC(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000067726344 441674770 /nfs/dbraw/zinc/67/47/70/441674770.db2.gz IURWYGWUCJRYDR-UHFFFAOYSA-N 2 1 346.475 1.745 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000121737021 441769221 /nfs/dbraw/zinc/76/92/21/441769221.db2.gz VZEBSUMZZDRCEF-LJQANCHMSA-N 2 1 348.491 1.047 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000091865175 441748702 /nfs/dbraw/zinc/74/87/02/441748702.db2.gz SUMMGZROSJPQEY-KRWDZBQOSA-N 2 1 343.475 1.038 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000091865175 441748710 /nfs/dbraw/zinc/74/87/10/441748710.db2.gz SUMMGZROSJPQEY-KRWDZBQOSA-N 2 1 343.475 1.038 20 0 EDADMP CC[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)CC1 ZINC000115786163 441777764 /nfs/dbraw/zinc/77/77/64/441777764.db2.gz JUVQQGUJGCGYCJ-UHFFFAOYSA-N 2 1 348.495 1.122 20 0 EDADMP CC[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)CC1 ZINC000115786163 441777766 /nfs/dbraw/zinc/77/77/66/441777766.db2.gz JUVQQGUJGCGYCJ-UHFFFAOYSA-N 2 1 348.495 1.122 20 0 EDADMP COc1ccc([C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000173637329 441809759 /nfs/dbraw/zinc/80/97/59/441809759.db2.gz CPTNUTSBDUYEMS-ZWKOTPCHSA-N 2 1 347.459 1.279 20 0 EDADMP COc1ccc([C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000173637329 441809763 /nfs/dbraw/zinc/80/97/63/441809763.db2.gz CPTNUTSBDUYEMS-ZWKOTPCHSA-N 2 1 347.459 1.279 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000140194802 441834921 /nfs/dbraw/zinc/83/49/21/441834921.db2.gz KJWCFLIDUKTJDY-UHFFFAOYSA-N 2 1 333.480 1.954 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000140194802 441834925 /nfs/dbraw/zinc/83/49/25/441834925.db2.gz KJWCFLIDUKTJDY-UHFFFAOYSA-N 2 1 333.480 1.954 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000124276519 441913338 /nfs/dbraw/zinc/91/33/38/441913338.db2.gz WSDMGUYLZRTPAF-WBVHZDCISA-N 2 1 346.475 1.797 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cscn1 ZINC000174463545 441926705 /nfs/dbraw/zinc/92/67/05/441926705.db2.gz XFBSXDHTQSILMM-OAHLLOKOSA-N 2 1 339.509 1.701 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000174360136 441916177 /nfs/dbraw/zinc/91/61/77/441916177.db2.gz YZXQKVIOWNKRIS-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP CN1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)Cc2ccccc21 ZINC000069087214 441887627 /nfs/dbraw/zinc/88/76/27/441887627.db2.gz QKQQMCWPHHUCDA-UHFFFAOYSA-N 2 1 342.487 1.681 20 0 EDADMP CN1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)Cc2ccccc21 ZINC000069087214 441887631 /nfs/dbraw/zinc/88/76/31/441887631.db2.gz QKQQMCWPHHUCDA-UHFFFAOYSA-N 2 1 342.487 1.681 20 0 EDADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CC1 ZINC000078031118 441896725 /nfs/dbraw/zinc/89/67/25/441896725.db2.gz DACJEZJCRMGTSD-UHFFFAOYSA-N 2 1 345.491 1.194 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000119819568 441958705 /nfs/dbraw/zinc/95/87/05/441958705.db2.gz OZMHAYMJQCHLEI-UHFFFAOYSA-N 2 1 333.480 1.954 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000119819568 441958711 /nfs/dbraw/zinc/95/87/11/441958711.db2.gz OZMHAYMJQCHLEI-UHFFFAOYSA-N 2 1 333.480 1.954 20 0 EDADMP Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)ccc1OCC[NH+]1CCCC1 ZINC000175024405 441997217 /nfs/dbraw/zinc/99/72/17/441997217.db2.gz LJTFLXXARJUPJO-SFHVURJKSA-N 2 1 347.459 1.739 20 0 EDADMP Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1OCC[NH+]1CCCC1 ZINC000175024405 441997220 /nfs/dbraw/zinc/99/72/20/441997220.db2.gz LJTFLXXARJUPJO-SFHVURJKSA-N 2 1 347.459 1.739 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000069637945 441997802 /nfs/dbraw/zinc/99/78/02/441997802.db2.gz RNRLXBHFJPYLSD-GOSISDBHSA-N 2 1 331.460 1.685 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000175109790 442005668 /nfs/dbraw/zinc/00/56/68/442005668.db2.gz RTQKHMLWOWRFMP-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000175109790 442005673 /nfs/dbraw/zinc/00/56/73/442005673.db2.gz RTQKHMLWOWRFMP-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000175109790 442005678 /nfs/dbraw/zinc/00/56/78/442005678.db2.gz RTQKHMLWOWRFMP-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000175109790 442005682 /nfs/dbraw/zinc/00/56/82/442005682.db2.gz RTQKHMLWOWRFMP-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP Cc1cc(N2CC[C@@H]([N@H+](C)CCCn3cc[nH+]c3C)C2=O)n(C)n1 ZINC000120291850 442044587 /nfs/dbraw/zinc/04/45/87/442044587.db2.gz TXLFOQOKGQGXAL-OAHLLOKOSA-N 2 1 330.436 1.361 20 0 EDADMP Cc1cc(N2CC[C@@H]([N@@H+](C)CCCn3cc[nH+]c3C)C2=O)n(C)n1 ZINC000120291850 442044590 /nfs/dbraw/zinc/04/45/90/442044590.db2.gz TXLFOQOKGQGXAL-OAHLLOKOSA-N 2 1 330.436 1.361 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCC2CCOCC2)CC1 ZINC000120498226 442083667 /nfs/dbraw/zinc/08/36/67/442083667.db2.gz TZHYKZPWSBYREW-UHFFFAOYSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000120524318 442089013 /nfs/dbraw/zinc/08/90/13/442089013.db2.gz AZXIGQMTLHLCJB-YLJYHZDGSA-N 2 1 344.503 1.703 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@@]2(C)CCC[NH2+]C2)(N2CCCCC2)CC1 ZINC000120525259 442089505 /nfs/dbraw/zinc/08/95/05/442089505.db2.gz DBSHGJQPEFYJFZ-SFHVURJKSA-N 2 1 336.524 1.443 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126427642 442110733 /nfs/dbraw/zinc/11/07/33/442110733.db2.gz RGAMODZAVMMCHV-IBGZPJMESA-N 2 1 349.519 1.693 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)NCC[N@@H+](C)CC)[NH+]1CCOCC1 ZINC000120733531 442124817 /nfs/dbraw/zinc/12/48/17/442124817.db2.gz BCDWFUMNRGZQNN-MRXNPFEDSA-N 2 1 328.501 1.374 20 0 EDADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000458672509 447447020 /nfs/dbraw/zinc/44/70/20/447447020.db2.gz YOUADRXUWLQYDT-IAGOWNOFSA-N 2 1 340.512 1.397 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000152439806 442213240 /nfs/dbraw/zinc/21/32/40/442213240.db2.gz QNNRQTDYIDZDRY-UONOGXRCSA-N 2 1 337.489 1.730 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000152439806 442213244 /nfs/dbraw/zinc/21/32/44/442213244.db2.gz QNNRQTDYIDZDRY-UONOGXRCSA-N 2 1 337.489 1.730 20 0 EDADMP CC1CCC(N(C)C(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000129789382 442332216 /nfs/dbraw/zinc/33/22/16/442332216.db2.gz TYXROKOLJBNXTM-UHFFFAOYSA-N 2 1 338.540 1.593 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000177725588 442376827 /nfs/dbraw/zinc/37/68/27/442376827.db2.gz CRBBXRGPJHGBCR-IRXDYDNUSA-N 2 1 336.524 1.393 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000133450442 442418731 /nfs/dbraw/zinc/41/87/31/442418731.db2.gz PXOLIWHMTOPCAL-QGZVFWFLSA-N 2 1 349.500 1.230 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000133628373 442426965 /nfs/dbraw/zinc/42/69/65/442426965.db2.gz YXTUEGHYLOQVKJ-KURKYZTESA-N 3 1 346.523 1.307 20 0 EDADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000133628373 442426969 /nfs/dbraw/zinc/42/69/69/442426969.db2.gz YXTUEGHYLOQVKJ-KURKYZTESA-N 3 1 346.523 1.307 20 0 EDADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000179674460 442488573 /nfs/dbraw/zinc/48/85/73/442488573.db2.gz ALNIXTBFBZHCSG-UHFFFAOYSA-N 2 1 343.393 1.994 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000178889980 442515806 /nfs/dbraw/zinc/51/58/06/442515806.db2.gz ZNSNMZSJXIDSFE-IAGOWNOFSA-N 2 1 330.476 1.394 20 0 EDADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CCOC1 ZINC000156898762 442531226 /nfs/dbraw/zinc/53/12/26/442531226.db2.gz AWHPUKFOJFCJOO-AYOQOUSVSA-N 2 1 345.487 1.899 20 0 EDADMP COc1cccc(COC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000157340003 442574531 /nfs/dbraw/zinc/57/45/31/442574531.db2.gz MWLSSOKIGMJWRN-MOPGFXCFSA-N 2 1 348.487 1.990 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCc2cccnc2)[C@H](C)C1 ZINC000187017493 442646171 /nfs/dbraw/zinc/64/61/71/442646171.db2.gz FHJHBLPNAKNIIG-AEFFLSMTSA-N 2 1 348.491 1.424 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCc2cccnc2)[C@H](C)C1 ZINC000187017493 442646173 /nfs/dbraw/zinc/64/61/73/442646173.db2.gz FHJHBLPNAKNIIG-AEFFLSMTSA-N 2 1 348.491 1.424 20 0 EDADMP C[C@@H]1CN(C(C)(C)CNC(=O)[C@](C)(N)c2ccccc2)C[C@@H](C)O1 ZINC000192513742 442655732 /nfs/dbraw/zinc/65/57/32/442655732.db2.gz LJVVFCFTQCNGLC-SPYBWZPUSA-N 2 1 333.476 1.865 20 0 EDADMP C[C@@H]1CN(C(C)(C)CNC(=O)[C@](C)(N)c2ccccc2)C[C@H](C)O1 ZINC000192513713 442656038 /nfs/dbraw/zinc/65/60/38/442656038.db2.gz LJVVFCFTQCNGLC-ZRGWGRIASA-N 2 1 333.476 1.865 20 0 EDADMP CC[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000192231287 442618985 /nfs/dbraw/zinc/61/89/85/442618985.db2.gz BRJSNWLSTKNBLC-ROUUACIJSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000186915935 442629428 /nfs/dbraw/zinc/62/94/28/442629428.db2.gz XIHTXCSANMJRLJ-IAGOWNOFSA-N 2 1 340.512 1.376 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000187933477 442698726 /nfs/dbraw/zinc/69/87/26/442698726.db2.gz KFKIMJWKSQGNRF-OFQRWUPVSA-N 2 1 337.489 1.453 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000188142534 442715682 /nfs/dbraw/zinc/71/56/82/442715682.db2.gz UTPLVAZTPUSWSD-GASCZTMLSA-N 2 1 331.464 1.294 20 0 EDADMP Cc1ccc(NCCCNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]c1 ZINC000193850133 442798770 /nfs/dbraw/zinc/79/87/70/442798770.db2.gz BJNLTGIOIXUQDX-HNNXBMFYSA-N 2 1 331.464 1.976 20 0 EDADMP Cc1ccc(NCCCNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]c1 ZINC000193850133 442798776 /nfs/dbraw/zinc/79/87/76/442798776.db2.gz BJNLTGIOIXUQDX-HNNXBMFYSA-N 2 1 331.464 1.976 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000268104132 442849412 /nfs/dbraw/zinc/84/94/12/442849412.db2.gz AXJCRNKCXFSBQW-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](C)CC2)C[NH+]1Cc1ccccc1 ZINC000268104132 442849416 /nfs/dbraw/zinc/84/94/16/442849416.db2.gz AXJCRNKCXFSBQW-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](C)CC2)C[NH+]1Cc1ccccc1 ZINC000268104132 442849422 /nfs/dbraw/zinc/84/94/22/442849422.db2.gz AXJCRNKCXFSBQW-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@@H]1C ZINC000248593946 442904594 /nfs/dbraw/zinc/90/45/94/442904594.db2.gz HTWCDGXIDXFJOB-GJZGRUSLSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCOCC[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248748977 442923664 /nfs/dbraw/zinc/92/36/64/442923664.db2.gz GBDOCMFXDRYICI-MAPUTHEBSA-N 2 1 328.497 1.470 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000189438899 442954136 /nfs/dbraw/zinc/95/41/36/442954136.db2.gz GVAGUCKEKKAFPN-UHFFFAOYSA-N 2 1 331.460 1.735 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000249365933 442968546 /nfs/dbraw/zinc/96/85/46/442968546.db2.gz VTHQINMWIVNCOT-MSOLQXFVSA-N 2 1 325.497 1.282 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265924955 442970965 /nfs/dbraw/zinc/97/09/65/442970965.db2.gz WATHBZSSGMBMPV-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265924955 442970969 /nfs/dbraw/zinc/97/09/69/442970969.db2.gz WATHBZSSGMBMPV-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000249424296 442973765 /nfs/dbraw/zinc/97/37/65/442973765.db2.gz XUCFUGYBYDAGMI-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000249424296 442973768 /nfs/dbraw/zinc/97/37/68/442973768.db2.gz XUCFUGYBYDAGMI-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@](C)(O)c3ccccc3)cn2)CC1 ZINC000268581619 443041610 /nfs/dbraw/zinc/04/16/10/443041610.db2.gz SAZVJIMVCWMKAW-IBGZPJMESA-N 2 1 341.459 1.226 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000249737112 443003260 /nfs/dbraw/zinc/00/32/60/443003260.db2.gz FTGQISDFVXZJRQ-QZTJIDSGSA-N 2 1 346.475 1.453 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000185124529 443142830 /nfs/dbraw/zinc/14/28/30/443142830.db2.gz MAJFTCODKDTXMT-UHFFFAOYSA-N 2 1 345.491 1.782 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CCCC[NH2+]3)c2)CCO1 ZINC000237637463 443177699 /nfs/dbraw/zinc/17/76/99/443177699.db2.gz DXQCWSLXNAFUON-MAUKXSAKSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCCC[NH2+]3)c2)CCO1 ZINC000237637463 443177703 /nfs/dbraw/zinc/17/77/03/443177703.db2.gz DXQCWSLXNAFUON-MAUKXSAKSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262266166 443188325 /nfs/dbraw/zinc/18/83/25/443188325.db2.gz MPEJKPNCIHSLTP-NBMJBFSESA-N 2 1 345.487 1.875 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262266166 443188331 /nfs/dbraw/zinc/18/83/31/443188331.db2.gz MPEJKPNCIHSLTP-NBMJBFSESA-N 2 1 345.487 1.875 20 0 EDADMP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237936526 443189378 /nfs/dbraw/zinc/18/93/78/443189378.db2.gz JYUNNFHYTCPZGK-QZTJIDSGSA-N 2 1 331.460 1.536 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1COCC[NH2+]1 ZINC000238055798 443193295 /nfs/dbraw/zinc/19/32/95/443193295.db2.gz JRCVGJKWQRSECU-SFHVURJKSA-N 2 1 331.460 1.667 20 0 EDADMP C[N@H+]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000266792210 443242874 /nfs/dbraw/zinc/24/28/74/443242874.db2.gz PLRDYCJIOGGFOJ-UHFFFAOYSA-N 2 1 330.476 1.363 20 0 EDADMP COCCN(C)c1ccc(C[NH2+]C2CC[NH+](CCOC)CC2)cn1 ZINC000190876293 443201958 /nfs/dbraw/zinc/20/19/58/443201958.db2.gz FPIWLEPFDWHQPC-UHFFFAOYSA-N 2 1 336.480 1.365 20 0 EDADMP C[C@H]([NH3+])CCC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262861446 443215876 /nfs/dbraw/zinc/21/58/76/443215876.db2.gz UECHFCZYKUYVMG-YOEHRIQHSA-N 2 1 346.475 1.128 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000383719861 319126022 /nfs/dbraw/zinc/12/60/22/319126022.db2.gz YDTNHHHEEGFYDR-AABGKKOBSA-N 2 1 331.504 1.753 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000383719861 319126024 /nfs/dbraw/zinc/12/60/24/319126024.db2.gz YDTNHHHEEGFYDR-AABGKKOBSA-N 2 1 331.504 1.753 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000383719861 319126027 /nfs/dbraw/zinc/12/60/27/319126027.db2.gz YDTNHHHEEGFYDR-AABGKKOBSA-N 3 1 331.504 1.753 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000397343533 319134129 /nfs/dbraw/zinc/13/41/29/319134129.db2.gz WWVHTROXBLLFPI-MGPQQGTHSA-N 2 1 341.477 1.018 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397609417 319135783 /nfs/dbraw/zinc/13/57/83/319135783.db2.gz YNYDVUFHIYIONE-MJGOQNOKSA-N 3 1 331.504 1.943 20 0 EDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397609417 319135785 /nfs/dbraw/zinc/13/57/85/319135785.db2.gz YNYDVUFHIYIONE-MJGOQNOKSA-N 2 1 331.504 1.943 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC000412680647 319239358 /nfs/dbraw/zinc/23/93/58/319239358.db2.gz ZLXQYXMRRRBFMS-RTBURBONSA-N 2 1 347.503 1.980 20 0 EDADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000412680647 319239360 /nfs/dbraw/zinc/23/93/60/319239360.db2.gz ZLXQYXMRRRBFMS-RTBURBONSA-N 2 1 347.503 1.980 20 0 EDADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000412680647 319239363 /nfs/dbraw/zinc/23/93/63/319239363.db2.gz ZLXQYXMRRRBFMS-RTBURBONSA-N 2 1 347.503 1.980 20 0 EDADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)CC(=O)NC ZINC000414268515 319323430 /nfs/dbraw/zinc/32/34/30/319323430.db2.gz OCWKDVSFTHGAOO-CGTJXYLNSA-N 2 1 333.476 1.638 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)CC(=O)NC ZINC000414268515 319323432 /nfs/dbraw/zinc/32/34/32/319323432.db2.gz OCWKDVSFTHGAOO-CGTJXYLNSA-N 2 1 333.476 1.638 20 0 EDADMP [NH3+]CCCn1ccc2cc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)ccc21 ZINC000269267147 443258503 /nfs/dbraw/zinc/25/85/03/443258503.db2.gz PQGJONJBNZERRV-QGZVFWFLSA-N 2 1 326.444 1.910 20 0 EDADMP C[N@@H+](CCO)C1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)CC1 ZINC000416174605 319398639 /nfs/dbraw/zinc/39/86/39/319398639.db2.gz CMDJLDCGTFUFMJ-UHFFFAOYSA-N 2 1 345.487 1.350 20 0 EDADMP C[NH+](CCO)C1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416174605 319398640 /nfs/dbraw/zinc/39/86/40/319398640.db2.gz CMDJLDCGTFUFMJ-UHFFFAOYSA-N 2 1 345.487 1.350 20 0 EDADMP C[NH+](CCO)C1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000416174605 319398642 /nfs/dbraw/zinc/39/86/42/319398642.db2.gz CMDJLDCGTFUFMJ-UHFFFAOYSA-N 2 1 345.487 1.350 20 0 EDADMP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000267089014 443338146 /nfs/dbraw/zinc/33/81/46/443338146.db2.gz UHXWRWBBOQRKPG-SFHVURJKSA-N 2 1 332.492 1.754 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CC[NH+](CCOC)CC1 ZINC000418656626 319508848 /nfs/dbraw/zinc/50/88/48/319508848.db2.gz SPMIJWSXVWWXHQ-KRWDZBQOSA-N 2 1 334.464 1.222 20 0 EDADMP C[C@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)C1=CC[NH+](C)CC1 ZINC000272701406 443413794 /nfs/dbraw/zinc/41/37/94/443413794.db2.gz FROCPIVPUSOESY-INIZCTEOSA-N 2 1 342.487 1.994 20 0 EDADMP C[C@H](NC(=O)NCC[NH+]1CCc2ccccc2C1)C1=CC[N@H+](C)CC1 ZINC000272701406 443413800 /nfs/dbraw/zinc/41/38/00/443413800.db2.gz FROCPIVPUSOESY-INIZCTEOSA-N 2 1 342.487 1.994 20 0 EDADMP C[C@H](NC(=O)NCC[NH+]1CCc2ccccc2C1)C1=CC[N@@H+](C)CC1 ZINC000272701406 443413802 /nfs/dbraw/zinc/41/38/02/443413802.db2.gz FROCPIVPUSOESY-INIZCTEOSA-N 2 1 342.487 1.994 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000269689799 443398135 /nfs/dbraw/zinc/39/81/35/443398135.db2.gz NTBQUTDBUGQKGQ-KEYYUXOJSA-N 2 1 329.444 1.991 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H](O)C2)CC1 ZINC000264954113 443490009 /nfs/dbraw/zinc/49/00/09/443490009.db2.gz CQSCYHZCXGMBBH-SFHVURJKSA-N 2 1 331.460 1.096 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](O)C2)CC1 ZINC000264954113 443490011 /nfs/dbraw/zinc/49/00/11/443490011.db2.gz CQSCYHZCXGMBBH-SFHVURJKSA-N 2 1 331.460 1.096 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000264954113 443490015 /nfs/dbraw/zinc/49/00/15/443490015.db2.gz CQSCYHZCXGMBBH-SFHVURJKSA-N 2 1 331.460 1.096 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC000264954113 443490016 /nfs/dbraw/zinc/49/00/16/443490016.db2.gz CQSCYHZCXGMBBH-SFHVURJKSA-N 2 1 331.460 1.096 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2)CC1 ZINC000278842652 443458873 /nfs/dbraw/zinc/45/88/73/443458873.db2.gz KERXEFFTSJERAY-GOSISDBHSA-N 2 1 329.444 1.857 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])s1 ZINC000422931994 319739055 /nfs/dbraw/zinc/73/90/55/319739055.db2.gz DLFIXPMEIAWBAX-RYUDHWBXSA-N 2 1 333.523 1.994 20 0 EDADMP O=C(NC[C@H](O)C[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279928046 443644179 /nfs/dbraw/zinc/64/41/79/443644179.db2.gz QRZOAGMJILVMID-OALUTQOASA-N 2 1 343.471 1.149 20 0 EDADMP O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000279928046 443644182 /nfs/dbraw/zinc/64/41/82/443644182.db2.gz QRZOAGMJILVMID-OALUTQOASA-N 2 1 343.471 1.149 20 0 EDADMP O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000279928046 443644185 /nfs/dbraw/zinc/64/41/85/443644185.db2.gz QRZOAGMJILVMID-OALUTQOASA-N 2 1 343.471 1.149 20 0 EDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1-n1ccnn1 ZINC000286150905 443656873 /nfs/dbraw/zinc/65/68/73/443656873.db2.gz PLAVHXFINNJZRX-HZPDHXFCSA-N 2 1 329.448 1.765 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH+](CCc2cccs2)CC1 ZINC000434867654 320005385 /nfs/dbraw/zinc/00/53/85/320005385.db2.gz IGMOGLXCSCDIIY-AWEZNQCLSA-N 2 1 339.530 1.530 20 0 EDADMP C[NH+](C)CC1CCC(NC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000440873766 320085472 /nfs/dbraw/zinc/08/54/72/320085472.db2.gz KGIWUOKNNFPLIN-UHFFFAOYSA-N 2 1 328.526 1.455 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000447442907 320142008 /nfs/dbraw/zinc/14/20/08/320142008.db2.gz SUHSFLPLCBFQHX-ROUUACIJSA-N 2 1 347.503 1.939 20 0 EDADMP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000449514846 320193346 /nfs/dbraw/zinc/19/33/46/320193346.db2.gz XEFVVPWNDRNCLX-CVEARBPZSA-N 2 1 347.463 1.050 20 0 EDADMP OC1CCN(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000449645273 320196675 /nfs/dbraw/zinc/19/66/75/320196675.db2.gz JDYWXLLDYQHDJD-CEWLAPEOSA-N 2 1 343.515 1.943 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000449717607 320201626 /nfs/dbraw/zinc/20/16/26/320201626.db2.gz DUWITLPFNPCSBD-NJAFHUGGSA-N 2 1 330.476 1.219 20 0 EDADMP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000449748902 320204543 /nfs/dbraw/zinc/20/45/43/320204543.db2.gz CZIPLYGQTJMZLA-SJORKVTESA-N 2 1 331.460 1.534 20 0 EDADMP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000449748902 320204545 /nfs/dbraw/zinc/20/45/45/320204545.db2.gz CZIPLYGQTJMZLA-SJORKVTESA-N 2 1 331.460 1.534 20 0 EDADMP COCC[NH+](CCOC)C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000286223002 443671281 /nfs/dbraw/zinc/67/12/81/443671281.db2.gz CGWUFJRTINAEHA-UHFFFAOYSA-N 2 1 333.436 1.522 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H](C)[NH+](C)C)CC2)cc1 ZINC000455443202 320303272 /nfs/dbraw/zinc/30/32/72/320303272.db2.gz PJSZINGGULXHSI-INIZCTEOSA-N 2 1 348.491 1.863 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)C[C@H](C)[N@@H+]1CCO ZINC000457781153 320335969 /nfs/dbraw/zinc/33/59/69/320335969.db2.gz XHLDRJMIIQKIIO-IYBDPMFKSA-N 2 1 348.491 1.345 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCCC2)C[C@@H]1C ZINC000458841813 320342919 /nfs/dbraw/zinc/34/29/19/320342919.db2.gz GDEKJMNMHAVLCL-DLBZAZTESA-N 2 1 340.512 1.349 20 0 EDADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000458851064 320343057 /nfs/dbraw/zinc/34/30/57/320343057.db2.gz USLAHSXZOOBICJ-OAHLLOKOSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCCOCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000471647398 320352925 /nfs/dbraw/zinc/35/29/25/320352925.db2.gz GVUFNHKQCSCHTM-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP C[NH+]1CCN(Cc2ccc(C(=O)NCC[N@@H+]3CC=CCC3)cc2)CC1 ZINC000280257304 443684708 /nfs/dbraw/zinc/68/47/08/443684708.db2.gz OBRRDBXEYNZRKH-UHFFFAOYSA-N 2 1 342.487 1.426 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000286382546 443702705 /nfs/dbraw/zinc/70/27/05/443702705.db2.gz CHLAWCYRHUHPGG-OIISXLGYSA-N 2 1 346.475 1.004 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298559173 443799337 /nfs/dbraw/zinc/79/93/37/443799337.db2.gz VUABGTXSEPQYPD-IBGZPJMESA-N 3 1 332.492 1.877 20 0 EDADMP Cn1cncc1CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000292106014 443777207 /nfs/dbraw/zinc/77/72/07/443777207.db2.gz VWWSRDYWIRKTBE-UHFFFAOYSA-N 2 1 345.422 1.977 20 0 EDADMP Cn1cncc1CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000292106014 443777212 /nfs/dbraw/zinc/77/72/12/443777212.db2.gz VWWSRDYWIRKTBE-UHFFFAOYSA-N 2 1 345.422 1.977 20 0 EDADMP C[N@@H+](CC[C@@H]1CCOC1=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285430800 443982151 /nfs/dbraw/zinc/98/21/51/443982151.db2.gz KOLCYWTUNKCVGL-LJQANCHMSA-N 2 1 345.487 1.689 20 0 EDADMP Cn1ccnc1CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281740903 443994244 /nfs/dbraw/zinc/99/42/44/443994244.db2.gz UWBDXGQGWREDOW-UHFFFAOYSA-N 2 1 349.822 1.390 20 0 EDADMP Cc1c([C@H]2[C@H]([NH2+]CCC[NH+]3CCCCC3)CC(=O)N2C)cnn1C ZINC000548728072 320896126 /nfs/dbraw/zinc/89/61/26/320896126.db2.gz AUQVDNCCWZQCPG-AEFFLSMTSA-N 2 1 333.480 1.466 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000289136722 444061650 /nfs/dbraw/zinc/06/16/50/444061650.db2.gz FHSXUJSGOZQYTB-ZHALLVOQSA-N 2 1 345.487 1.769 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000289136722 444061656 /nfs/dbraw/zinc/06/16/56/444061656.db2.gz FHSXUJSGOZQYTB-ZHALLVOQSA-N 2 1 345.487 1.769 20 0 EDADMP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3CCC[N@@H+]3C)ccc2oc1=O ZINC000299499967 444063857 /nfs/dbraw/zinc/06/38/57/444063857.db2.gz KIEKSJXDCZZCDW-ZDUSSCGKSA-N 2 1 332.404 1.189 20 0 EDADMP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3CCC[N@H+]3C)ccc2oc1=O ZINC000299499967 444063861 /nfs/dbraw/zinc/06/38/61/444063861.db2.gz KIEKSJXDCZZCDW-ZDUSSCGKSA-N 2 1 332.404 1.189 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC1CC2 ZINC000558363652 321011921 /nfs/dbraw/zinc/01/19/21/321011921.db2.gz RJZRBURRSGJKOE-QGZVFWFLSA-N 2 1 328.460 1.751 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000561428181 321040982 /nfs/dbraw/zinc/04/09/82/321040982.db2.gz SQLAVMDKEYVKSP-AZUAARDMSA-N 2 1 345.487 1.614 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000561428181 321040984 /nfs/dbraw/zinc/04/09/84/321040984.db2.gz SQLAVMDKEYVKSP-AZUAARDMSA-N 2 1 345.487 1.614 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000561428181 321040986 /nfs/dbraw/zinc/04/09/86/321040986.db2.gz SQLAVMDKEYVKSP-AZUAARDMSA-N 2 1 345.487 1.614 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000562817806 321078857 /nfs/dbraw/zinc/07/88/57/321078857.db2.gz KSROMQPWZWKTLX-KDOFPFPSSA-N 2 1 339.443 1.957 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CC1 ZINC000562991233 321085930 /nfs/dbraw/zinc/08/59/30/321085930.db2.gz MFQSUVDYLUHXAS-SJLPKXTDSA-N 2 1 331.460 1.080 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CC1 ZINC000562991233 321085932 /nfs/dbraw/zinc/08/59/32/321085932.db2.gz MFQSUVDYLUHXAS-SJLPKXTDSA-N 2 1 331.460 1.080 20 0 EDADMP CCCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1CC[NH2+]C1 ZINC000563099955 321095301 /nfs/dbraw/zinc/09/53/01/321095301.db2.gz ILJAGAYUJHVMMU-QZTJIDSGSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@](C)(CC)CO)CC2)CC1 ZINC000563972059 321118436 /nfs/dbraw/zinc/11/84/36/321118436.db2.gz JWSYEJBVQNFSTA-SFHVURJKSA-N 2 1 325.497 1.460 20 0 EDADMP Cn1ccnc1[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000564386093 321128442 /nfs/dbraw/zinc/12/84/42/321128442.db2.gz ZEGLHAPUSBQIMD-IAGOWNOFSA-N 2 1 332.423 1.693 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)[C@@H](C)[NH+]3CC(C)C3)CCCC2)CC1 ZINC000564736109 321144523 /nfs/dbraw/zinc/14/45/23/321144523.db2.gz IAADHPSJHYNAJE-MRXNPFEDSA-N 2 1 337.508 1.866 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000565040289 321165644 /nfs/dbraw/zinc/16/56/44/321165644.db2.gz NDWJZZFVEVSOSP-ZNMIVQPWSA-N 2 1 333.432 1.132 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000565040289 321165646 /nfs/dbraw/zinc/16/56/46/321165646.db2.gz NDWJZZFVEVSOSP-ZNMIVQPWSA-N 2 1 333.432 1.132 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000565882025 321204978 /nfs/dbraw/zinc/20/49/78/321204978.db2.gz RZALGFLUXYPPGF-KGLIPLIRSA-N 2 1 339.509 1.025 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000566103320 321214953 /nfs/dbraw/zinc/21/49/53/321214953.db2.gz GIBWYXVISCGHBO-YJBOKZPZSA-N 2 1 349.475 1.558 20 0 EDADMP CC(C)[C@@H](C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H](C)[NH3+] ZINC000566971858 321237627 /nfs/dbraw/zinc/23/76/27/321237627.db2.gz QSORGURVCISIEH-MAUKXSAKSA-N 2 1 332.492 1.992 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)CCCC[NH3+])cc2)CC1 ZINC000567806436 321258951 /nfs/dbraw/zinc/25/89/51/321258951.db2.gz IYBSWWJEYHSLQI-UHFFFAOYSA-N 2 1 334.464 1.380 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](C)CCCO)CC2)CC1 ZINC000568229278 321283219 /nfs/dbraw/zinc/28/32/19/321283219.db2.gz VEJCMSADDVGITK-MRXNPFEDSA-N 2 1 339.524 1.708 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CN1c1ccccc1 ZINC000568499388 321294047 /nfs/dbraw/zinc/29/40/47/321294047.db2.gz PYUJWRUAUFYHFA-DZJNRPSUSA-N 2 1 329.444 1.539 20 0 EDADMP CSC1(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC[NH+](C)CC1 ZINC000569048052 321315755 /nfs/dbraw/zinc/31/57/55/321315755.db2.gz KRVFDHGLGTVGKN-AWEZNQCLSA-N 2 1 328.526 1.455 20 0 EDADMP [NH3+]Cc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000569966872 321332584 /nfs/dbraw/zinc/33/25/84/321332584.db2.gz IEUMFQZKZPNJRD-ROUUACIJSA-N 2 1 346.475 1.588 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000570030211 321334722 /nfs/dbraw/zinc/33/47/22/321334722.db2.gz YTEUQYFQZDQJNC-ZWKOTPCHSA-N 2 1 345.491 1.830 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000571082882 321370282 /nfs/dbraw/zinc/37/02/82/321370282.db2.gz WELGSTCMIGSKHS-QXSJWSMHSA-N 2 1 328.501 1.548 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000571267802 321381630 /nfs/dbraw/zinc/38/16/30/321381630.db2.gz IJFDEDJBHSMNIT-JYJNAYRXSA-N 2 1 326.485 1.031 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc2F)CC1 ZINC000571885344 321405343 /nfs/dbraw/zinc/40/53/43/321405343.db2.gz KMDOLQQRGQSAIL-KBPBESRZSA-N 2 1 336.455 1.823 20 0 EDADMP C[C@H]1CCNC(=O)[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000282305899 444143430 /nfs/dbraw/zinc/14/34/30/444143430.db2.gz MSORIQLKAQGGFY-KSSFIOAISA-N 2 1 333.451 1.947 20 0 EDADMP CS[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1[NH+](C)C ZINC000295518769 444187782 /nfs/dbraw/zinc/18/77/82/444187782.db2.gz MFACIHWTDUUWIS-LSDHHAIUSA-N 2 1 331.445 1.385 20 0 EDADMP Cc1ccccc1-n1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)nn1 ZINC000290219286 444255550 /nfs/dbraw/zinc/25/55/50/444255550.db2.gz WVWICPPJJXHHMI-UHFFFAOYSA-N 2 1 342.491 1.691 20 0 EDADMP Cc1ccccc1-n1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)nn1 ZINC000290219286 444255553 /nfs/dbraw/zinc/25/55/53/444255553.db2.gz WVWICPPJJXHHMI-UHFFFAOYSA-N 2 1 342.491 1.691 20 0 EDADMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2cc[nH+]cc2C(N)=O)C1 ZINC000302848325 444227322 /nfs/dbraw/zinc/22/73/22/444227322.db2.gz HMAMBNBVYYAEIK-CYBMUJFWSA-N 2 1 345.472 1.904 20 0 EDADMP CCC[N@H+]1CC[C@H](CNc2cc(N3CCCC[C@@H]3CO)ncn2)C1 ZINC000302918424 444231641 /nfs/dbraw/zinc/23/16/41/444231641.db2.gz XRONUSTZAJDXOO-HZPDHXFCSA-N 2 1 333.480 1.972 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000290041503 444234270 /nfs/dbraw/zinc/23/42/70/444234270.db2.gz UQAPKPZIMQTABP-ICSRJNTNSA-N 2 1 343.471 1.490 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000290041503 444234271 /nfs/dbraw/zinc/23/42/71/444234271.db2.gz UQAPKPZIMQTABP-ICSRJNTNSA-N 2 1 343.471 1.490 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000290104242 444242969 /nfs/dbraw/zinc/24/29/69/444242969.db2.gz XXMXZVSULFSIIJ-IKGGRYGDSA-N 2 1 344.459 1.463 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000290104242 444242970 /nfs/dbraw/zinc/24/29/70/444242970.db2.gz XXMXZVSULFSIIJ-IKGGRYGDSA-N 2 1 344.459 1.463 20 0 EDADMP OC1CC[NH+](CCC[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000305817924 444281892 /nfs/dbraw/zinc/28/18/92/444281892.db2.gz ANSITSPDNRAOQX-UHFFFAOYSA-N 2 1 337.430 1.840 20 0 EDADMP COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc(OC)c1O ZINC000290456570 444283147 /nfs/dbraw/zinc/28/31/47/444283147.db2.gz TVPGNELURDYSJX-HNNXBMFYSA-N 2 1 338.448 1.736 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[NH+](Cc2ccccc2)CC1 ZINC000310312144 444291166 /nfs/dbraw/zinc/29/11/66/444291166.db2.gz WTJJVAXDIWEZGD-LJQANCHMSA-N 2 1 335.492 1.133 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000310312144 444291169 /nfs/dbraw/zinc/29/11/69/444291169.db2.gz WTJJVAXDIWEZGD-LJQANCHMSA-N 2 1 335.492 1.133 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000310312144 444291171 /nfs/dbraw/zinc/29/11/71/444291171.db2.gz WTJJVAXDIWEZGD-LJQANCHMSA-N 2 1 335.492 1.133 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[N@@H+]1C ZINC000340255527 444374513 /nfs/dbraw/zinc/37/45/13/444374513.db2.gz HCPNCSDACMERSX-MRRJBJDNSA-N 2 1 337.489 1.784 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[N@H+]1C ZINC000340255527 444374514 /nfs/dbraw/zinc/37/45/14/444374514.db2.gz HCPNCSDACMERSX-MRRJBJDNSA-N 2 1 337.489 1.784 20 0 EDADMP C[C@H]1CC[N@@H+](CCc2cncn2C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000297771155 444331870 /nfs/dbraw/zinc/33/18/70/444331870.db2.gz VOBXCPSFPBQAFS-GVXVVHGQSA-N 2 1 332.370 1.740 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCN3CCCS3(=O)=O)C2)[nH+]1 ZINC000328610072 444392701 /nfs/dbraw/zinc/39/27/01/444392701.db2.gz NKKOVGMPJYLXSQ-HNNXBMFYSA-N 2 1 338.477 1.159 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCN3CCCS3(=O)=O)C2)[nH+]1 ZINC000328610072 444392703 /nfs/dbraw/zinc/39/27/03/444392703.db2.gz NKKOVGMPJYLXSQ-HNNXBMFYSA-N 2 1 338.477 1.159 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000579229705 321903692 /nfs/dbraw/zinc/90/36/92/321903692.db2.gz QAUORWMGFMLJSR-MRXNPFEDSA-N 2 1 333.480 1.281 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(c3cc(N4CCC[C@H]4CO)ncn3)C2)C1 ZINC000328699492 444434389 /nfs/dbraw/zinc/43/43/89/444434389.db2.gz MGWCEOGQCXMWHF-YJBOKZPZSA-N 2 1 331.464 1.360 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000580071929 322005799 /nfs/dbraw/zinc/00/57/99/322005799.db2.gz FYMYLBMQDOBHNP-FUHWJXTLSA-N 2 1 330.476 1.752 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000338044461 444498081 /nfs/dbraw/zinc/49/80/81/444498081.db2.gz AVLCKDJPASMIDB-SCTDSRPQSA-N 2 1 344.503 1.574 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000338044461 444498085 /nfs/dbraw/zinc/49/80/85/444498085.db2.gz AVLCKDJPASMIDB-SCTDSRPQSA-N 2 1 344.503 1.574 20 0 EDADMP C[C@@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[N@@H+]1CCc2ccccc2C1 ZINC000580415251 322047671 /nfs/dbraw/zinc/04/76/71/322047671.db2.gz OIQOQRXYYYVJAL-YWZLYKJASA-N 2 1 343.471 1.006 20 0 EDADMP C[C@@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[N@H+]1CCc2ccccc2C1 ZINC000580415251 322047672 /nfs/dbraw/zinc/04/76/72/322047672.db2.gz OIQOQRXYYYVJAL-YWZLYKJASA-N 2 1 343.471 1.006 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580763949 322091993 /nfs/dbraw/zinc/09/19/93/322091993.db2.gz FNHRMJPPENEHTE-JKSUJKDBSA-N 2 1 338.496 1.127 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580763949 322091996 /nfs/dbraw/zinc/09/19/96/322091996.db2.gz FNHRMJPPENEHTE-JKSUJKDBSA-N 2 1 338.496 1.127 20 0 EDADMP [NH3+][C@@H](C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CCC1 ZINC000581188063 322146958 /nfs/dbraw/zinc/14/69/58/322146958.db2.gz NLTDRVWNQZBYIF-LJQANCHMSA-N 2 1 344.503 1.438 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccccc2F)CCCO1 ZINC000581247060 322153905 /nfs/dbraw/zinc/15/39/05/322153905.db2.gz OFAVPPFDLZBGBH-CVEARBPZSA-N 2 1 340.439 1.656 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)C1=O ZINC000581285645 322158379 /nfs/dbraw/zinc/15/83/79/322158379.db2.gz ZQPJFRKBRSYHEW-NEPJUHHUSA-N 2 1 349.397 1.586 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)C1=O ZINC000581285645 322158380 /nfs/dbraw/zinc/15/83/80/322158380.db2.gz ZQPJFRKBRSYHEW-NEPJUHHUSA-N 2 1 349.397 1.586 20 0 EDADMP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338269529 444601178 /nfs/dbraw/zinc/60/11/78/444601178.db2.gz FBNSVMSHDPQSOV-HZPDHXFCSA-N 2 1 325.497 1.676 20 0 EDADMP CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338269529 444601181 /nfs/dbraw/zinc/60/11/81/444601181.db2.gz FBNSVMSHDPQSOV-HZPDHXFCSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000333292881 444654398 /nfs/dbraw/zinc/65/43/98/444654398.db2.gz HZKKEHZGUOVKAF-XUWVNRHRSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000333292881 444654404 /nfs/dbraw/zinc/65/44/04/444654404.db2.gz HZKKEHZGUOVKAF-XUWVNRHRSA-N 2 1 338.496 1.125 20 0 EDADMP COC(=O)CCC[NH+]1CCC(N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000342494883 444715637 /nfs/dbraw/zinc/71/56/37/444715637.db2.gz MNZQLVOXFARDNT-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C1C[NH2+]C1 ZINC000342498027 444717513 /nfs/dbraw/zinc/71/75/13/444717513.db2.gz BJETUQFIWBIKQM-KDOFPFPSSA-N 2 1 330.476 1.668 20 0 EDADMP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C1C[NH2+]C1 ZINC000342498027 444717516 /nfs/dbraw/zinc/71/75/16/444717516.db2.gz BJETUQFIWBIKQM-KDOFPFPSSA-N 2 1 330.476 1.668 20 0 EDADMP Cc1ccc(NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1F ZINC000344009641 444725570 /nfs/dbraw/zinc/72/55/70/444725570.db2.gz BINHOXZLSAFBDD-UHFFFAOYSA-N 2 1 338.471 1.888 20 0 EDADMP Cc1ccc(NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1F ZINC000344009641 444725573 /nfs/dbraw/zinc/72/55/73/444725573.db2.gz BINHOXZLSAFBDD-UHFFFAOYSA-N 2 1 338.471 1.888 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000343940461 444683611 /nfs/dbraw/zinc/68/36/11/444683611.db2.gz GPDIWUXUYUIPMZ-UHFFFAOYSA-N 2 1 342.443 1.886 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCO1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000333600761 444684291 /nfs/dbraw/zinc/68/42/91/444684291.db2.gz WKGJMZJUAWKYQN-QGZVFWFLSA-N 2 1 338.496 1.272 20 0 EDADMP COC(=O)COc1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000341124267 444686224 /nfs/dbraw/zinc/68/62/24/444686224.db2.gz ASCYVDAOGKBZMM-QGZVFWFLSA-N 2 1 348.443 1.393 20 0 EDADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344045022 444747385 /nfs/dbraw/zinc/74/73/85/444747385.db2.gz XZDDRONUELVXAK-MSOLQXFVSA-N 2 1 340.556 1.839 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC([NH+](C)CCO)CC1 ZINC000334081001 444773888 /nfs/dbraw/zinc/77/38/88/444773888.db2.gz JWRJIPDBJGGSSX-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000334081001 444773890 /nfs/dbraw/zinc/77/38/90/444773890.db2.gz JWRJIPDBJGGSSX-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000334081001 444773893 /nfs/dbraw/zinc/77/38/93/444773893.db2.gz JWRJIPDBJGGSSX-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCN4CCOCC4)C[C@@H]3C2)cc1 ZINC000336701112 444794578 /nfs/dbraw/zinc/79/45/78/444794578.db2.gz JUZJEHWWXMPVNL-PMACEKPBSA-N 2 1 329.488 1.773 20 0 EDADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCN4CCOCC4)C[C@@H]3C2)cc1 ZINC000336701112 444794582 /nfs/dbraw/zinc/79/45/82/444794582.db2.gz JUZJEHWWXMPVNL-PMACEKPBSA-N 2 1 329.488 1.773 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCN4CCOCC4)C[C@@H]3C2)cc1 ZINC000336701112 444794586 /nfs/dbraw/zinc/79/45/86/444794586.db2.gz JUZJEHWWXMPVNL-PMACEKPBSA-N 2 1 329.488 1.773 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COC2CCOCC2)C1 ZINC000336870226 444814470 /nfs/dbraw/zinc/81/44/70/444814470.db2.gz ICZTZUPXLWJEEJ-IAGOWNOFSA-N 2 1 326.481 1.207 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000336870226 444814472 /nfs/dbraw/zinc/81/44/72/444814472.db2.gz ICZTZUPXLWJEEJ-IAGOWNOFSA-N 2 1 326.481 1.207 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000336870226 444814476 /nfs/dbraw/zinc/81/44/76/444814476.db2.gz ICZTZUPXLWJEEJ-IAGOWNOFSA-N 2 1 326.481 1.207 20 0 EDADMP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC[NH2+]CC1(F)F ZINC000342718946 444832729 /nfs/dbraw/zinc/83/27/29/444832729.db2.gz WYGFLLGZXXYARO-MRXNPFEDSA-N 2 1 337.414 1.796 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH2+]CC1(F)F ZINC000342718946 444832731 /nfs/dbraw/zinc/83/27/31/444832731.db2.gz WYGFLLGZXXYARO-MRXNPFEDSA-N 2 1 337.414 1.796 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000341561405 444895849 /nfs/dbraw/zinc/89/58/49/444895849.db2.gz SLBRTEIUMZMBPK-IYBDPMFKSA-N 2 1 328.501 1.469 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCCOC3)CC2)C1 ZINC000342915715 444939667 /nfs/dbraw/zinc/93/96/67/444939667.db2.gz GGLFEDYWWBXYAI-QZTJIDSGSA-N 2 1 325.497 1.140 20 0 EDADMP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000341769678 444992821 /nfs/dbraw/zinc/99/28/21/444992821.db2.gz MRRQEEOYRRJFSU-LPHOPBHVSA-N 2 1 344.503 1.960 20 0 EDADMP c1cc(N2CCN(CCC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC000339068233 445017130 /nfs/dbraw/zinc/01/71/30/445017130.db2.gz NDKDGATYJDTNOQ-QUCCMNQESA-N 3 1 343.519 1.810 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N(C)C[C@@H]2C[C@@H](OC)C[NH+]2C)C1 ZINC000344530151 445037792 /nfs/dbraw/zinc/03/77/92/445037792.db2.gz YDSGPLOQJGQCEX-OWCLPIDISA-N 2 1 326.485 1.079 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@@H+]2C)C1 ZINC000344530151 445037799 /nfs/dbraw/zinc/03/77/99/445037799.db2.gz YDSGPLOQJGQCEX-OWCLPIDISA-N 2 1 326.485 1.079 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@H+]2C)C1 ZINC000344530151 445037804 /nfs/dbraw/zinc/03/78/04/445037804.db2.gz YDSGPLOQJGQCEX-OWCLPIDISA-N 2 1 326.485 1.079 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000337340268 445039371 /nfs/dbraw/zinc/03/93/71/445039371.db2.gz SOAPJNWKMPAGLI-MSOLQXFVSA-N 2 1 336.524 1.489 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000337340268 445039374 /nfs/dbraw/zinc/03/93/74/445039374.db2.gz SOAPJNWKMPAGLI-MSOLQXFVSA-N 2 1 336.524 1.489 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000337340268 445039379 /nfs/dbraw/zinc/03/93/79/445039379.db2.gz SOAPJNWKMPAGLI-MSOLQXFVSA-N 2 1 336.524 1.489 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000343163369 445107807 /nfs/dbraw/zinc/10/78/07/445107807.db2.gz LFEWFKQDHQBQCD-SFHVURJKSA-N 2 1 334.508 1.101 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000339801149 445171384 /nfs/dbraw/zinc/17/13/84/445171384.db2.gz XJEZVALPLNFJCF-QAETUUGQSA-N 2 1 327.513 1.967 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000339801149 445171386 /nfs/dbraw/zinc/17/13/86/445171386.db2.gz XJEZVALPLNFJCF-QAETUUGQSA-N 2 1 327.513 1.967 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)NC(=O)Nc3ccccc3)C[C@H]21 ZINC000342111835 445177258 /nfs/dbraw/zinc/17/72/58/445177258.db2.gz UOFDXDNBPNVEFY-FVQBIDKESA-N 2 1 330.432 1.784 20 0 EDADMP COc1ccccc1CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342116610 445180978 /nfs/dbraw/zinc/18/09/78/445180978.db2.gz YDBJQDAIWBAEHU-UAGQMJEPSA-N 2 1 331.460 1.713 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCCC(F)(F)C3)cn2)CC1 ZINC000344798210 445143177 /nfs/dbraw/zinc/14/31/77/445143177.db2.gz UECIYKHPXSUREI-AWEZNQCLSA-N 2 1 325.407 1.896 20 0 EDADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000343439711 445222979 /nfs/dbraw/zinc/22/29/79/445222979.db2.gz FUOFNZCEBUVMQR-WMLDXEAASA-N 2 1 349.450 1.999 20 0 EDADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000343439711 445222981 /nfs/dbraw/zinc/22/29/81/445222981.db2.gz FUOFNZCEBUVMQR-WMLDXEAASA-N 2 1 349.450 1.999 20 0 EDADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000347193152 445233827 /nfs/dbraw/zinc/23/38/27/445233827.db2.gz JGGRWDWBDBUGBJ-DLBZAZTESA-N 2 1 337.508 1.556 20 0 EDADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000347193152 445233829 /nfs/dbraw/zinc/23/38/29/445233829.db2.gz JGGRWDWBDBUGBJ-DLBZAZTESA-N 2 1 337.508 1.556 20 0 EDADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000347193152 445233831 /nfs/dbraw/zinc/23/38/31/445233831.db2.gz JGGRWDWBDBUGBJ-DLBZAZTESA-N 2 1 337.508 1.556 20 0 EDADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000347881327 445252864 /nfs/dbraw/zinc/25/28/64/445252864.db2.gz YAVJIZZBXUTCJT-MAUKXSAKSA-N 2 1 335.496 1.603 20 0 EDADMP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000347881327 445252868 /nfs/dbraw/zinc/25/28/68/445252868.db2.gz YAVJIZZBXUTCJT-MAUKXSAKSA-N 2 1 335.496 1.603 20 0 EDADMP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000347881327 445252872 /nfs/dbraw/zinc/25/28/72/445252872.db2.gz YAVJIZZBXUTCJT-MAUKXSAKSA-N 2 1 335.496 1.603 20 0 EDADMP C[C@H]([NH2+][C@@H]1COC[C@H]1n1ccnn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348516168 445310805 /nfs/dbraw/zinc/31/08/05/445310805.db2.gz QANHKAZBLZYSDO-JCHJZTRSSA-N 2 1 341.459 1.718 20 0 EDADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000354673880 445335590 /nfs/dbraw/zinc/33/55/90/445335590.db2.gz OUMKXBCIFGSPDI-ZACQAIPSSA-N 2 1 325.497 1.724 20 0 EDADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000354673880 445335593 /nfs/dbraw/zinc/33/55/93/445335593.db2.gz OUMKXBCIFGSPDI-ZACQAIPSSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000351859126 445345260 /nfs/dbraw/zinc/34/52/60/445345260.db2.gz ZZPQTUVVEFKCHQ-IAGOWNOFSA-N 2 1 330.476 1.313 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000351859126 445345262 /nfs/dbraw/zinc/34/52/62/445345262.db2.gz ZZPQTUVVEFKCHQ-IAGOWNOFSA-N 2 1 330.476 1.313 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000351864271 445346941 /nfs/dbraw/zinc/34/69/41/445346941.db2.gz XGTOBZAXBQGHQL-GJZGRUSLSA-N 2 1 335.448 1.249 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000351864271 445346944 /nfs/dbraw/zinc/34/69/44/445346944.db2.gz XGTOBZAXBQGHQL-GJZGRUSLSA-N 2 1 335.448 1.249 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000351916252 445373802 /nfs/dbraw/zinc/37/38/02/445373802.db2.gz ARLWRGMWUFINMT-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000348822323 445402314 /nfs/dbraw/zinc/40/23/14/445402314.db2.gz ZGWSZFWBJJRMPK-IRXDYDNUSA-N 2 1 339.528 1.042 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc4c(c3)OCO4)CC[C@H]21 ZINC000359763315 445414308 /nfs/dbraw/zinc/41/43/08/445414308.db2.gz CDHRKTTVFVTVBH-BFYDXBDKSA-N 2 1 348.443 1.571 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc4c(c3)OCO4)CC[C@H]21 ZINC000359763315 445414311 /nfs/dbraw/zinc/41/43/11/445414311.db2.gz CDHRKTTVFVTVBH-BFYDXBDKSA-N 2 1 348.443 1.571 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc4c(c3)OCO4)CC[C@H]21 ZINC000359763315 445414313 /nfs/dbraw/zinc/41/43/13/445414313.db2.gz CDHRKTTVFVTVBH-BFYDXBDKSA-N 2 1 348.443 1.571 20 0 EDADMP COc1ccc(OC)c(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357080554 445414359 /nfs/dbraw/zinc/41/43/59/445414359.db2.gz MYQAAFBADRTUKI-HNNXBMFYSA-N 2 1 347.459 1.964 20 0 EDADMP COc1ccc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357089595 445421119 /nfs/dbraw/zinc/42/11/19/445421119.db2.gz UXNFAEQNYMLSRG-HNNXBMFYSA-N 2 1 347.459 1.964 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2cccc(O)c2)cc[nH+]1 ZINC000354929866 445434116 /nfs/dbraw/zinc/43/41/16/445434116.db2.gz WJDMRKICOZJKAX-GJZGRUSLSA-N 2 1 345.422 1.955 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000354957799 445436432 /nfs/dbraw/zinc/43/64/32/445436432.db2.gz GYSHBEZTIKKTFK-IRXDYDNUSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000354957799 445436436 /nfs/dbraw/zinc/43/64/36/445436436.db2.gz GYSHBEZTIKKTFK-IRXDYDNUSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000354957799 445436438 /nfs/dbraw/zinc/43/64/38/445436438.db2.gz GYSHBEZTIKKTFK-IRXDYDNUSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362564483 445441318 /nfs/dbraw/zinc/44/13/18/445441318.db2.gz LCOYQBNKMCVNCL-HUUCEWRRSA-N 2 1 333.480 1.871 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362721596 445518194 /nfs/dbraw/zinc/51/81/94/445518194.db2.gz BQSFPAPLAGYTGI-ZJPYXAASSA-N 2 1 336.524 1.201 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000362721596 445518197 /nfs/dbraw/zinc/51/81/97/445518197.db2.gz BQSFPAPLAGYTGI-ZJPYXAASSA-N 2 1 336.524 1.201 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000362721596 445518200 /nfs/dbraw/zinc/51/82/00/445518200.db2.gz BQSFPAPLAGYTGI-ZJPYXAASSA-N 2 1 336.524 1.201 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000359919843 445488751 /nfs/dbraw/zinc/48/87/51/445488751.db2.gz WXRZGWPSQFSDDV-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@@H]2C)C1 ZINC000357889787 445590116 /nfs/dbraw/zinc/59/01/16/445590116.db2.gz FKZLUAHLIAIJLO-LTIDMASMSA-N 2 1 338.496 1.220 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@@H]2C)C1 ZINC000357889787 445590121 /nfs/dbraw/zinc/59/01/21/445590121.db2.gz FKZLUAHLIAIJLO-LTIDMASMSA-N 2 1 338.496 1.220 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)CC[N@H+]1CCOC ZINC000360123108 445579594 /nfs/dbraw/zinc/57/95/94/445579594.db2.gz GDEIBVSGCRXLAN-DLBZAZTESA-N 2 1 342.528 1.857 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC[NH+]1CCOC ZINC000360123108 445579598 /nfs/dbraw/zinc/57/95/98/445579598.db2.gz GDEIBVSGCRXLAN-DLBZAZTESA-N 2 1 342.528 1.857 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC[NH+]1CCOC ZINC000360123108 445579601 /nfs/dbraw/zinc/57/96/01/445579601.db2.gz GDEIBVSGCRXLAN-DLBZAZTESA-N 2 1 342.528 1.857 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000360126878 445582254 /nfs/dbraw/zinc/58/22/54/445582254.db2.gz WFKWBMXKUNGQTH-XHSDSOJGSA-N 2 1 326.485 1.077 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000360126878 445582258 /nfs/dbraw/zinc/58/22/58/445582258.db2.gz WFKWBMXKUNGQTH-XHSDSOJGSA-N 2 1 326.485 1.077 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000362771527 445542227 /nfs/dbraw/zinc/54/22/27/445542227.db2.gz YSDIRPKHCJGGOU-WBVHZDCISA-N 2 1 333.480 1.004 20 0 EDADMP CSC1(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](C)CC1 ZINC000358297533 445616364 /nfs/dbraw/zinc/61/63/64/445616364.db2.gz KXSWIFORQWRKOW-CABCVRRESA-N 2 1 340.537 1.740 20 0 EDADMP CN(C(=O)NCC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000349644724 445632344 /nfs/dbraw/zinc/63/23/44/445632344.db2.gz LOPHNCOEUOEBLO-LJQANCHMSA-N 2 1 342.487 1.923 20 0 EDADMP CN(C(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000349644724 445632347 /nfs/dbraw/zinc/63/23/47/445632347.db2.gz LOPHNCOEUOEBLO-LJQANCHMSA-N 2 1 342.487 1.923 20 0 EDADMP CN(C(=O)NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000349644724 445632350 /nfs/dbraw/zinc/63/23/50/445632350.db2.gz LOPHNCOEUOEBLO-LJQANCHMSA-N 2 1 342.487 1.923 20 0 EDADMP Cn1c2ccc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)cc2oc1=O ZINC000353506264 445633593 /nfs/dbraw/zinc/63/35/93/445633593.db2.gz XNWSBGLQFSAYRL-UHFFFAOYSA-N 2 1 332.448 1.201 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000353530164 445644690 /nfs/dbraw/zinc/64/46/90/445644690.db2.gz UGMRASAGVWLZAS-MSOLQXFVSA-N 2 1 331.460 1.523 20 0 EDADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000353543341 445650566 /nfs/dbraw/zinc/65/05/66/445650566.db2.gz OWDBTYXBLCLUDX-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CC(C)OCC[C@@H](O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349851566 445698866 /nfs/dbraw/zinc/69/88/66/445698866.db2.gz HPLUNODISZZKKD-SJLPKXTDSA-N 2 1 327.513 1.263 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000353717146 445722151 /nfs/dbraw/zinc/72/21/51/445722151.db2.gz YTXWVEHUDJNZDU-SJORKVTESA-N 2 1 347.507 1.446 20 0 EDADMP CSC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC[NH+](C)CC1 ZINC000360695739 445722847 /nfs/dbraw/zinc/72/28/47/445722847.db2.gz PUDLKYHZDABBHS-HUUCEWRRSA-N 2 1 342.553 1.795 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000363296596 445755864 /nfs/dbraw/zinc/75/58/64/445755864.db2.gz BIMPHQRHZQWVBC-UHFFFAOYSA-N 2 1 330.476 1.606 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000363304155 445758768 /nfs/dbraw/zinc/75/87/68/445758768.db2.gz ZQIACIXJHWINDO-QGZVFWFLSA-N 2 1 336.524 1.347 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)c1ccc(F)cc1 ZINC000358773599 445768337 /nfs/dbraw/zinc/76/83/37/445768337.db2.gz JMTLRLKOGZGPAQ-QGZVFWFLSA-N 2 1 349.450 1.883 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000358850417 445809495 /nfs/dbraw/zinc/80/94/95/445809495.db2.gz BCVMPZLNPOLXEP-IYBDPMFKSA-N 2 1 326.481 1.492 20 0 EDADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000358850417 445809500 /nfs/dbraw/zinc/80/95/00/445809500.db2.gz BCVMPZLNPOLXEP-IYBDPMFKSA-N 2 1 326.481 1.492 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000356521439 445838627 /nfs/dbraw/zinc/83/86/27/445838627.db2.gz KHVDESOKVYKGJE-INIZCTEOSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000356521439 445838631 /nfs/dbraw/zinc/83/86/31/445838631.db2.gz KHVDESOKVYKGJE-INIZCTEOSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000356521439 445838633 /nfs/dbraw/zinc/83/86/33/445838633.db2.gz KHVDESOKVYKGJE-INIZCTEOSA-N 2 1 340.512 1.071 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3nnc(N(C)C)cc3C2)CC1 ZINC000369112085 445935368 /nfs/dbraw/zinc/93/53/68/445935368.db2.gz JWDJXUMASYBBOO-UHFFFAOYSA-N 2 1 346.523 1.317 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1O ZINC000369112179 445936224 /nfs/dbraw/zinc/93/62/24/445936224.db2.gz KHPJVXNJAKADSN-WBVHZDCISA-N 2 1 333.476 1.859 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1O ZINC000369112179 445936227 /nfs/dbraw/zinc/93/62/27/445936227.db2.gz KHPJVXNJAKADSN-WBVHZDCISA-N 2 1 333.476 1.859 20 0 EDADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365921983 445908168 /nfs/dbraw/zinc/90/81/68/445908168.db2.gz CUZGYARCSDGNTB-YYIAUSFCSA-N 2 1 336.480 1.118 20 0 EDADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365921983 445908175 /nfs/dbraw/zinc/90/81/75/445908175.db2.gz CUZGYARCSDGNTB-YYIAUSFCSA-N 2 1 336.480 1.118 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000354178207 445974682 /nfs/dbraw/zinc/97/46/82/445974682.db2.gz JYKBFHAQCBRSHU-YESZJQIVSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000354178207 445974686 /nfs/dbraw/zinc/97/46/86/445974686.db2.gz JYKBFHAQCBRSHU-YESZJQIVSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000354178207 445974692 /nfs/dbraw/zinc/97/46/92/445974692.db2.gz JYKBFHAQCBRSHU-YESZJQIVSA-N 2 1 340.512 1.061 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)NCCc1ccc(F)cc1)C2 ZINC000365082129 446012740 /nfs/dbraw/zinc/01/27/40/446012740.db2.gz HZSXWOUSMVLCMX-RHSMWYFYSA-N 2 1 344.434 1.982 20 0 EDADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000583206717 326026643 /nfs/dbraw/zinc/02/66/43/326026643.db2.gz HYPVUTMUZSOXOS-AWEZNQCLSA-N 3 1 333.480 1.796 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)C(C)(C)O)CC2)CC1 ZINC000583272393 326040363 /nfs/dbraw/zinc/04/03/63/326040363.db2.gz INRLBYAQYXIPII-UHFFFAOYSA-N 2 1 339.524 1.848 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000583371139 326059544 /nfs/dbraw/zinc/05/95/44/326059544.db2.gz FSAZVAIIBUYDJO-BPQIPLTHSA-N 2 1 347.459 1.440 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)CCCC[NH3+])cc2)CC1 ZINC000583751295 326132507 /nfs/dbraw/zinc/13/25/07/326132507.db2.gz OCJMJIDXXOTCBG-UHFFFAOYSA-N 2 1 332.448 1.418 20 0 EDADMP COC(=O)C[C@H](C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000584016033 326184513 /nfs/dbraw/zinc/18/45/13/326184513.db2.gz GXEBMZYIOQWVMM-CYBMUJFWSA-N 2 1 334.420 1.361 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000584050808 326190752 /nfs/dbraw/zinc/19/07/52/326190752.db2.gz PWPHGSXRLUSLCK-LMMKCTJWSA-N 2 1 346.519 1.933 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000365228912 446089253 /nfs/dbraw/zinc/08/92/53/446089253.db2.gz LXWDACWGVOPCJA-FCGDIQPGSA-N 2 1 342.524 1.985 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000365228912 446089260 /nfs/dbraw/zinc/08/92/60/446089260.db2.gz LXWDACWGVOPCJA-FCGDIQPGSA-N 2 1 342.524 1.985 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000365228912 446089263 /nfs/dbraw/zinc/08/92/63/446089263.db2.gz LXWDACWGVOPCJA-FCGDIQPGSA-N 2 1 342.524 1.985 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000365228912 446089271 /nfs/dbraw/zinc/08/92/71/446089271.db2.gz LXWDACWGVOPCJA-FCGDIQPGSA-N 2 1 342.524 1.985 20 0 EDADMP O=C1C[C@H](N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207267 446095988 /nfs/dbraw/zinc/09/59/88/446095988.db2.gz WGIWTAFPPJLQFX-LOWDOPEQSA-N 2 1 345.365 1.092 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000359262450 446098050 /nfs/dbraw/zinc/09/80/50/446098050.db2.gz MIYCHLWHKAKELU-HNNXBMFYSA-N 2 1 340.512 1.023 20 0 EDADMP COCCN(C)c1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000369366882 446107279 /nfs/dbraw/zinc/10/72/79/446107279.db2.gz SWJYNHIYYRNUON-HNNXBMFYSA-N 2 1 329.448 1.713 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000366283781 446126217 /nfs/dbraw/zinc/12/62/17/446126217.db2.gz PDVPJIWKDPJBDJ-HOTGVXAUSA-N 2 1 338.496 1.269 20 0 EDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000369550161 446131370 /nfs/dbraw/zinc/13/13/70/446131370.db2.gz ZTIRVAIHMDTAMR-GJZGRUSLSA-N 2 1 330.411 1.644 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351568934 446165838 /nfs/dbraw/zinc/16/58/38/446165838.db2.gz SGPKDHKHVKKBQO-AWEZNQCLSA-N 2 1 327.494 1.757 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000366325414 446152277 /nfs/dbraw/zinc/15/22/77/446152277.db2.gz PYYRLNIUAUKHAN-KRWDZBQOSA-N 3 1 336.524 1.299 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC[NH+]1C ZINC000365627047 446279124 /nfs/dbraw/zinc/27/91/24/446279124.db2.gz ZKZYYTUXKBZJGP-LAQRGFTBSA-N 2 1 330.476 1.921 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC[NH+]1C ZINC000365627047 446279128 /nfs/dbraw/zinc/27/91/28/446279128.db2.gz ZKZYYTUXKBZJGP-LAQRGFTBSA-N 2 1 330.476 1.921 20 0 EDADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000362288633 446307295 /nfs/dbraw/zinc/30/72/95/446307295.db2.gz QHLIYQGMCWJDMN-JTQLQIEISA-N 2 1 333.367 1.426 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)c(=O)n1C ZINC000370533706 446321265 /nfs/dbraw/zinc/32/12/65/446321265.db2.gz ASLCWZHORNGWLL-JCGIZDLHSA-N 2 1 333.476 1.673 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000417337828 446347502 /nfs/dbraw/zinc/34/75/02/446347502.db2.gz JFRHKBZNLMMQFF-YQQAZPJKSA-N 2 1 330.476 1.812 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000417338909 446347701 /nfs/dbraw/zinc/34/77/01/446347701.db2.gz KVAARTMCUNUJIV-BZUAXINKSA-N 2 1 330.476 1.825 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000370573479 446337846 /nfs/dbraw/zinc/33/78/46/446337846.db2.gz FUWRFTFEGXAOLO-KZNAEPCWSA-N 2 1 339.524 1.576 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417503740 446356283 /nfs/dbraw/zinc/35/62/83/446356283.db2.gz MIXVHFCIDDCZPP-OALUTQOASA-N 2 1 344.503 1.850 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417514281 446359011 /nfs/dbraw/zinc/35/90/11/446359011.db2.gz IZYUZEISZPQQHL-WMZOPIPTSA-N 2 1 348.491 1.686 20 0 EDADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCC(=O)N1CCOCC1)CC2)C1CC1 ZINC000374294626 446361017 /nfs/dbraw/zinc/36/10/17/446361017.db2.gz HMXRFNSLDVZIAQ-MRXNPFEDSA-N 2 1 335.492 1.432 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCNCC2(F)F)C1 ZINC000417891143 446376538 /nfs/dbraw/zinc/37/65/38/446376538.db2.gz QNVSZEHYHHMPIH-KGLIPLIRSA-N 2 1 332.439 1.508 20 0 EDADMP C[C@H](CN1CCOCC1)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370671619 446380099 /nfs/dbraw/zinc/38/00/99/446380099.db2.gz VKFVGQKNOCHTOP-ZJPYXAASSA-N 2 1 325.497 1.186 20 0 EDADMP C[C@H](CN1CCOCC1)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370671619 446380103 /nfs/dbraw/zinc/38/01/03/446380103.db2.gz VKFVGQKNOCHTOP-ZJPYXAASSA-N 2 1 325.497 1.186 20 0 EDADMP CC[C@H](NC(=O)NC[C@H](C)[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417903378 446382908 /nfs/dbraw/zinc/38/29/08/446382908.db2.gz ZIKGJNKIEHRFDZ-RYQLBKOJSA-N 2 1 348.491 1.573 20 0 EDADMP CC[C@H](NC(=O)NC[C@H](C)[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417903378 446382912 /nfs/dbraw/zinc/38/29/12/446382912.db2.gz ZIKGJNKIEHRFDZ-RYQLBKOJSA-N 2 1 348.491 1.573 20 0 EDADMP COC[C@@]1(CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000417912894 446383864 /nfs/dbraw/zinc/38/38/64/446383864.db2.gz PETLMJGKOJTGCI-WMZOPIPTSA-N 2 1 340.512 1.422 20 0 EDADMP Clc1cnn2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)cnc12 ZINC000423147931 446439672 /nfs/dbraw/zinc/43/96/72/446439672.db2.gz UBOKLACOLKNYRF-NUEKZKHPSA-N 2 1 349.866 1.672 20 0 EDADMP COc1cc2[nH+]c(N3C[C@@H](C)[C@](C)(C[NH3+])C3)nc(N)c2cc1OC ZINC000420278300 446446754 /nfs/dbraw/zinc/44/67/54/446446754.db2.gz ITXNURFOJKGSOM-BMLIUANNSA-N 2 1 331.420 1.650 20 0 EDADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000411255322 446447720 /nfs/dbraw/zinc/44/77/20/446447720.db2.gz PCNHASVPIBQIBX-CQSZACIVSA-N 2 1 329.404 1.071 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000411255322 446447727 /nfs/dbraw/zinc/44/77/27/446447727.db2.gz PCNHASVPIBQIBX-CQSZACIVSA-N 2 1 329.404 1.071 20 0 EDADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000420282947 446449671 /nfs/dbraw/zinc/44/96/71/446449671.db2.gz BLSHGJIWEUTFEG-UHFFFAOYSA-N 2 1 333.432 1.733 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)CC1 ZINC000366994790 446450427 /nfs/dbraw/zinc/45/04/27/446450427.db2.gz IYLJCNLDUTXGIO-UHFFFAOYSA-N 2 1 348.878 1.988 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)CC1 ZINC000366994790 446450434 /nfs/dbraw/zinc/45/04/34/446450434.db2.gz IYLJCNLDUTXGIO-UHFFFAOYSA-N 2 1 348.878 1.988 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418012125 446415317 /nfs/dbraw/zinc/41/53/17/446415317.db2.gz RTZJKABALPEISW-RYQLBKOJSA-N 2 1 330.476 1.887 20 0 EDADMP COCC[C@@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC[NH2+]C1 ZINC000370762760 446422152 /nfs/dbraw/zinc/42/21/52/446422152.db2.gz AOTIBHBXVIUFSW-YJBOKZPZSA-N 2 1 325.497 1.629 20 0 EDADMP C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366950959 446424464 /nfs/dbraw/zinc/42/44/64/446424464.db2.gz IDHXNGKODMLKES-ZWKOTPCHSA-N 2 1 329.444 1.955 20 0 EDADMP C[N@@H+](C[C@@H](O)COCc1ccccc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366950959 446424470 /nfs/dbraw/zinc/42/44/70/446424470.db2.gz IDHXNGKODMLKES-ZWKOTPCHSA-N 2 1 329.444 1.955 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000370766823 446425761 /nfs/dbraw/zinc/42/57/61/446425761.db2.gz OTQYUNDJPQOSJI-GDBMZVCRSA-N 2 1 346.479 1.292 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376365722 446456531 /nfs/dbraw/zinc/45/65/31/446456531.db2.gz HCCCEWGICMILGO-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000418229238 446467237 /nfs/dbraw/zinc/46/72/37/446467237.db2.gz CLXGYRBUTIBBTA-PVAVHDDUSA-N 2 1 340.512 1.643 20 0 EDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423266800 446470539 /nfs/dbraw/zinc/47/05/39/446470539.db2.gz SFFFCBHZYIWSAX-CZUORRHYSA-N 2 1 325.478 1.674 20 0 EDADMP Cn1ccnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(N)=O)C1 ZINC000376429566 446491489 /nfs/dbraw/zinc/49/14/89/446491489.db2.gz UTYRZVGCHFKHFS-CYBMUJFWSA-N 2 1 341.415 1.337 20 0 EDADMP CC[NH2+]CCNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000418332113 446502573 /nfs/dbraw/zinc/50/25/73/446502573.db2.gz YRZFHRWDXNELCR-UHFFFAOYSA-N 2 1 332.492 1.946 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000418329935 446502898 /nfs/dbraw/zinc/50/28/98/446502898.db2.gz BZRRHRVDGRTVEL-HNNXBMFYSA-N 2 1 336.505 1.617 20 0 EDADMP CC[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000423395439 446516173 /nfs/dbraw/zinc/51/61/73/446516173.db2.gz SOJGVUGTOKMONP-LSDHHAIUSA-N 2 1 349.479 1.060 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418337125 446505804 /nfs/dbraw/zinc/50/58/04/446505804.db2.gz JKZXLUCFMBLOJU-SJORKVTESA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418337125 446505807 /nfs/dbraw/zinc/50/58/07/446505807.db2.gz JKZXLUCFMBLOJU-SJORKVTESA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000420339442 446510105 /nfs/dbraw/zinc/51/01/05/446510105.db2.gz YZKWMMTYASJRCF-DOTOQJQBSA-N 2 1 331.460 1.551 20 0 EDADMP C[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000420339442 446510113 /nfs/dbraw/zinc/51/01/13/446510113.db2.gz YZKWMMTYASJRCF-DOTOQJQBSA-N 2 1 331.460 1.551 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000423397361 446516353 /nfs/dbraw/zinc/51/63/53/446516353.db2.gz BYJZVKMTEZMZEI-LERXQTSPSA-N 2 1 341.249 1.833 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423398219 446516528 /nfs/dbraw/zinc/51/65/28/446516528.db2.gz VDADGQWGEVHWIU-UMVBOHGHSA-N 2 1 325.478 1.728 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCCC[NH2+]Cc3cccnc3)C2)C1 ZINC000418328446 446500323 /nfs/dbraw/zinc/50/03/23/446500323.db2.gz NXXASFRQADLRPD-LJQANCHMSA-N 2 1 345.491 1.689 20 0 EDADMP CC1(C)CCC[N@@H+](CCNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418328459 446500562 /nfs/dbraw/zinc/50/05/62/446500562.db2.gz NYKPDNNGWPCASN-UHFFFAOYSA-N 2 1 347.507 1.983 20 0 EDADMP CC[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000423395439 446516162 /nfs/dbraw/zinc/51/61/62/446516162.db2.gz SOJGVUGTOKMONP-LSDHHAIUSA-N 2 1 349.479 1.060 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423506440 446557884 /nfs/dbraw/zinc/55/78/84/446557884.db2.gz IZDUYJSTRMMTDQ-OKZBNKHCSA-N 2 1 333.476 1.862 20 0 EDADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NCCc1ccc(F)cc1 ZINC000420386342 446560313 /nfs/dbraw/zinc/56/03/13/446560313.db2.gz FOWRPWXEDCIJAK-SJLPKXTDSA-N 2 1 333.451 1.948 20 0 EDADMP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NCCc1ccc(F)cc1 ZINC000420386342 446560318 /nfs/dbraw/zinc/56/03/18/446560318.db2.gz FOWRPWXEDCIJAK-SJLPKXTDSA-N 2 1 333.451 1.948 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418370574 446518336 /nfs/dbraw/zinc/51/83/36/446518336.db2.gz ORTZEAGHYDPBRO-QZTJIDSGSA-N 2 1 345.491 1.830 20 0 EDADMP Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346201 446518787 /nfs/dbraw/zinc/51/87/87/446518787.db2.gz XPXHBKHFSKRFTJ-OALUTQOASA-N 2 1 329.488 1.975 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(COC)CC[NH2+]C2)C1 ZINC000423410689 446521903 /nfs/dbraw/zinc/52/19/03/446521903.db2.gz SJOPZPFFQLUZIP-QAPCUYQASA-N 2 1 325.497 1.629 20 0 EDADMP O=C1[C@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCCN1c1ccccc1F ZINC000420348929 446525887 /nfs/dbraw/zinc/52/58/87/446525887.db2.gz NLEIITIYCAWYSU-MAUKXSAKSA-N 2 1 346.450 1.301 20 0 EDADMP O=C1[C@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCCN1c1ccccc1F ZINC000420348929 446525891 /nfs/dbraw/zinc/52/58/91/446525891.db2.gz NLEIITIYCAWYSU-MAUKXSAKSA-N 2 1 346.450 1.301 20 0 EDADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000420352726 446531497 /nfs/dbraw/zinc/53/14/97/446531497.db2.gz ZTZKTNBCTPDVRK-UYAOXDASSA-N 2 1 342.487 1.233 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000420352726 446531506 /nfs/dbraw/zinc/53/15/06/446531506.db2.gz ZTZKTNBCTPDVRK-UYAOXDASSA-N 2 1 342.487 1.233 20 0 EDADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000418404619 446532511 /nfs/dbraw/zinc/53/25/11/446532511.db2.gz CXTFIAVZOXYQJK-RBEWDSDLSA-N 2 1 332.492 1.928 20 0 EDADMP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000433139176 446535630 /nfs/dbraw/zinc/53/56/30/446535630.db2.gz WBDJSNGCVNYRCQ-CYBMUJFWSA-N 2 1 339.402 1.331 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H]1CC ZINC000418416483 446536779 /nfs/dbraw/zinc/53/67/79/446536779.db2.gz UEWLCTJUKGBBMV-GVDBMIGSSA-N 2 1 340.512 1.646 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000375048959 446542028 /nfs/dbraw/zinc/54/20/28/446542028.db2.gz KVXCEASNQWDBMO-WBVHZDCISA-N 2 1 331.460 1.793 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418437656 446542649 /nfs/dbraw/zinc/54/26/49/446542649.db2.gz XJMQLLWWSJDHJL-JKSUJKDBSA-N 2 1 339.528 1.219 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC000420363675 446543645 /nfs/dbraw/zinc/54/36/45/446543645.db2.gz BUZQXDVFOYVJPV-KRWDZBQOSA-N 2 1 334.460 1.867 20 0 EDADMP CNC(=O)C[NH+]1CCC(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433227547 446550895 /nfs/dbraw/zinc/55/08/95/446550895.db2.gz RVIAZZFKVVCXRE-QGZVFWFLSA-N 2 1 346.475 1.006 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)NC(=O)NCc1ccccc1 ZINC000420375437 446552911 /nfs/dbraw/zinc/55/29/11/446552911.db2.gz SXUMYQCQIVSXCY-CKEIUWERSA-N 2 1 332.448 1.379 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418601197 446610535 /nfs/dbraw/zinc/61/05/35/446610535.db2.gz UEBLWKMWWIYBOI-OQIJWPOYSA-N 2 1 342.487 1.758 20 0 EDADMP COCc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420401346 446575268 /nfs/dbraw/zinc/57/52/68/446575268.db2.gz PHOYFQWZHVTACV-OALUTQOASA-N 2 1 345.487 1.913 20 0 EDADMP COCc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420401346 446575272 /nfs/dbraw/zinc/57/52/72/446575272.db2.gz PHOYFQWZHVTACV-OALUTQOASA-N 2 1 345.487 1.913 20 0 EDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCC[NH3+] ZINC000418517632 446576965 /nfs/dbraw/zinc/57/69/65/446576965.db2.gz ZPIXALNKBJHRLM-SFHVURJKSA-N 2 1 334.464 1.004 20 0 EDADMP O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418520861 446578237 /nfs/dbraw/zinc/57/82/37/446578237.db2.gz HYYVECXLCLNHFY-CEXWTWQISA-N 2 1 342.487 1.759 20 0 EDADMP CN(C(=O)NCC1=CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418535334 446583034 /nfs/dbraw/zinc/58/30/34/446583034.db2.gz DAAGUHVPFXQOJU-SFHVURJKSA-N 2 1 328.460 1.822 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000418621632 446618899 /nfs/dbraw/zinc/61/88/99/446618899.db2.gz SYMOGHXICUUSAF-BHYGNILZSA-N 2 1 339.528 1.312 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418536771 446585506 /nfs/dbraw/zinc/58/55/06/446585506.db2.gz CFXJXPOJBKQPHA-HRCADAONSA-N 2 1 340.512 1.645 20 0 EDADMP C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCC[N@H+]1C ZINC000433874402 446605893 /nfs/dbraw/zinc/60/58/93/446605893.db2.gz JOPQGPSZLMHGBJ-CZUORRHYSA-N 2 1 325.478 1.509 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000423617781 446609225 /nfs/dbraw/zinc/60/92/25/446609225.db2.gz XVIOIJZMCQBYHE-FGTMMUONSA-N 2 1 331.460 1.297 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000423617781 446609228 /nfs/dbraw/zinc/60/92/28/446609228.db2.gz XVIOIJZMCQBYHE-FGTMMUONSA-N 2 1 331.460 1.297 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000418601113 446609271 /nfs/dbraw/zinc/60/92/71/446609271.db2.gz LKOJVHXIMVLAIG-AYBZRNKSSA-N 2 1 346.475 1.063 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000375196031 446636239 /nfs/dbraw/zinc/63/62/39/446636239.db2.gz ZFZMIWDBBBYRPJ-GDBMZVCRSA-N 2 1 332.448 1.378 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC[C@@H]21 ZINC000418684095 446647011 /nfs/dbraw/zinc/64/70/11/446647011.db2.gz KPWMFDZQEJAWBC-OKYOBFRVSA-N 2 1 342.487 1.868 20 0 EDADMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000434467608 446647090 /nfs/dbraw/zinc/64/70/90/446647090.db2.gz OUYPHVQWGPWHPW-HUUCEWRRSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000434467608 446647098 /nfs/dbraw/zinc/64/70/98/446647098.db2.gz OUYPHVQWGPWHPW-HUUCEWRRSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000434467608 446647105 /nfs/dbraw/zinc/64/71/05/446647105.db2.gz OUYPHVQWGPWHPW-HUUCEWRRSA-N 2 1 336.505 1.826 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418681502 446647485 /nfs/dbraw/zinc/64/74/85/446647485.db2.gz HCBHEEWMBXIDKK-QAQDUYKDSA-N 2 1 341.544 1.276 20 0 EDADMP CN(CCCN(C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)CC[NH+](C)C ZINC000418681502 446647494 /nfs/dbraw/zinc/64/74/94/446647494.db2.gz HCBHEEWMBXIDKK-QAQDUYKDSA-N 2 1 341.544 1.276 20 0 EDADMP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000418691236 446650790 /nfs/dbraw/zinc/65/07/90/446650790.db2.gz XZCZUJMURPSKDA-FGTMMUONSA-N 2 1 328.460 1.622 20 0 EDADMP O=C(C1CCN(CC(F)F)CC1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376708867 446667015 /nfs/dbraw/zinc/66/70/15/446667015.db2.gz DUEZPJAFCFITJT-ARFHVFGLSA-N 2 1 341.446 1.906 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418750239 446669614 /nfs/dbraw/zinc/66/96/14/446669614.db2.gz NUCWJHCMFRVEPO-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418750239 446669620 /nfs/dbraw/zinc/66/96/20/446669620.db2.gz NUCWJHCMFRVEPO-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000368149347 446671245 /nfs/dbraw/zinc/67/12/45/446671245.db2.gz ASCJYKBKVCWWSB-MRXNPFEDSA-N 2 1 334.464 1.766 20 0 EDADMP COC(C)(C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371092358 446622844 /nfs/dbraw/zinc/62/28/44/446622844.db2.gz DVZVOXQFSLLEGJ-UHFFFAOYSA-N 2 1 325.497 1.724 20 0 EDADMP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418646188 446630833 /nfs/dbraw/zinc/63/08/33/446630833.db2.gz WSACQPKLJIMQAF-WMZOPIPTSA-N 2 1 346.475 1.019 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)CC2)cs1 ZINC000368156803 446676073 /nfs/dbraw/zinc/67/60/73/446676073.db2.gz AVNJHAUCRBLLIX-GOEBONIOSA-N 2 1 334.489 1.484 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000418768164 446687193 /nfs/dbraw/zinc/68/71/93/446687193.db2.gz QWGQFSIBROHQNU-OAHLLOKOSA-N 2 1 338.402 1.509 20 0 EDADMP C[N@@H+](C[C@H](O)Cn1cccn1)C1CCN(Cc2ccncc2)CC1 ZINC000371205100 446688319 /nfs/dbraw/zinc/68/83/19/446688319.db2.gz NUUWJWKSYKSEQR-SFHVURJKSA-N 2 1 329.448 1.235 20 0 EDADMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000368188837 446695203 /nfs/dbraw/zinc/69/52/03/446695203.db2.gz FKZLUAHLIAIJLO-QBPKDAKJSA-N 2 1 338.496 1.220 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000368188837 446695208 /nfs/dbraw/zinc/69/52/08/446695208.db2.gz FKZLUAHLIAIJLO-QBPKDAKJSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)cc2)C[C@@H](C)O1 ZINC000368192932 446698331 /nfs/dbraw/zinc/69/83/31/446698331.db2.gz IVLUEVLQHRSUSH-VVWQDTPRSA-N 2 1 343.471 1.730 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)cn2)CC1 ZINC000375301352 446704049 /nfs/dbraw/zinc/70/40/49/446704049.db2.gz GDJNDRFOZJTCNM-GOSISDBHSA-N 2 1 331.464 1.231 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@]4(C3)CCCOC4)cn2)CC1 ZINC000375301352 446704055 /nfs/dbraw/zinc/70/40/55/446704055.db2.gz GDJNDRFOZJTCNM-GOSISDBHSA-N 2 1 331.464 1.231 20 0 EDADMP CC[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)[C@@H]1CCC[NH2+]CC1 ZINC000435628403 446704087 /nfs/dbraw/zinc/70/40/87/446704087.db2.gz UVVPPRKZVOJDHY-CVEARBPZSA-N 2 1 347.459 1.407 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@H]1COc2ccccc2O1)[C@@H]1CCC[NH2+]CC1 ZINC000435628403 446704091 /nfs/dbraw/zinc/70/40/91/446704091.db2.gz UVVPPRKZVOJDHY-CVEARBPZSA-N 2 1 347.459 1.407 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C[C@H]1C ZINC000368231085 446724600 /nfs/dbraw/zinc/72/46/00/446724600.db2.gz IKEDILMLOKKQOK-KEYYUXOJSA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C[C@H]1C ZINC000368231085 446724605 /nfs/dbraw/zinc/72/46/05/446724605.db2.gz IKEDILMLOKKQOK-KEYYUXOJSA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC000368231085 446724614 /nfs/dbraw/zinc/72/46/14/446724614.db2.gz IKEDILMLOKKQOK-KEYYUXOJSA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC000368231085 446724620 /nfs/dbraw/zinc/72/46/20/446724620.db2.gz IKEDILMLOKKQOK-KEYYUXOJSA-N 2 1 329.460 1.112 20 0 EDADMP CC[C@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1[NH+]1CCOCC1 ZINC000423876069 446737365 /nfs/dbraw/zinc/73/73/65/446737365.db2.gz NMUMWRXECOOBLX-GUMUBFQMSA-N 2 1 335.492 1.476 20 0 EDADMP O=C(N1CCC[N@@H+](CCCc2ccccc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423754972 446684267 /nfs/dbraw/zinc/68/42/67/446684267.db2.gz ZYODZIWUMLCAGI-QUCCMNQESA-N 2 1 327.472 1.906 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000371287719 446747141 /nfs/dbraw/zinc/74/71/41/446747141.db2.gz RZYWWQCDIFNSOK-JYJNAYRXSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000371287719 446747146 /nfs/dbraw/zinc/74/71/46/446747146.db2.gz RZYWWQCDIFNSOK-JYJNAYRXSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371287719 446747152 /nfs/dbraw/zinc/74/71/52/446747152.db2.gz RZYWWQCDIFNSOK-JYJNAYRXSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371287719 446747157 /nfs/dbraw/zinc/74/71/57/446747157.db2.gz RZYWWQCDIFNSOK-JYJNAYRXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)COC2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000423902832 446754621 /nfs/dbraw/zinc/75/46/21/446754621.db2.gz MMGXVNBSINBXCK-WBVHZDCISA-N 2 1 331.460 1.392 20 0 EDADMP CCn1ccnc1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368282180 446757654 /nfs/dbraw/zinc/75/76/54/446757654.db2.gz QNYKRKOUVCVPJS-UHFFFAOYSA-N 2 1 347.507 1.829 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH3+])CCOCC3)C[C@@H]2[C@H]1c1ccccc1 ZINC000375400133 446774802 /nfs/dbraw/zinc/77/48/02/446774802.db2.gz LHHSIADRNIVCNY-FGTMMUONSA-N 2 1 343.471 1.503 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000437947481 446779840 /nfs/dbraw/zinc/77/98/40/446779840.db2.gz OXAXOZWZYLRAOZ-GUDVDZBRSA-N 2 1 345.487 1.829 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C[N@H+](C)Cc1ccccc1 ZINC000437947481 446779845 /nfs/dbraw/zinc/77/98/45/446779845.db2.gz OXAXOZWZYLRAOZ-GUDVDZBRSA-N 2 1 345.487 1.829 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)[C@@H]1c1ccccc1 ZINC000423928769 446780883 /nfs/dbraw/zinc/78/08/83/446780883.db2.gz HTZGFLKMFLSVKQ-YCPHGPKFSA-N 2 1 341.402 1.547 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)[C@@H]1c1ccccc1 ZINC000423928769 446780885 /nfs/dbraw/zinc/78/08/85/446780885.db2.gz HTZGFLKMFLSVKQ-YCPHGPKFSA-N 2 1 341.402 1.547 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2nccn21 ZINC000454220296 446812924 /nfs/dbraw/zinc/81/29/24/446812924.db2.gz DLZRVPLRLKURGQ-BYNSBNAKSA-N 2 1 335.452 1.687 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@@H]1CCN2CCO[C@H]1C2)[N@H+]1CCCC[C@H]1C ZINC000454252425 446826637 /nfs/dbraw/zinc/82/66/37/446826637.db2.gz DHFIFDLDKVXVQM-TWMKSMIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000368415877 446848443 /nfs/dbraw/zinc/84/84/43/446848443.db2.gz FJWMHYQPAFRTTQ-OLMNPRSZSA-N 2 1 349.519 1.770 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000368415877 446848449 /nfs/dbraw/zinc/84/84/49/446848449.db2.gz FJWMHYQPAFRTTQ-OLMNPRSZSA-N 2 1 349.519 1.770 20 0 EDADMP [NH3+]C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000423971751 446802362 /nfs/dbraw/zinc/80/23/62/446802362.db2.gz YXIUUPSDFUPJEW-ZWKOTPCHSA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+]C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000423971751 446802371 /nfs/dbraw/zinc/80/23/71/446802371.db2.gz YXIUUPSDFUPJEW-ZWKOTPCHSA-N 2 1 331.460 1.521 20 0 EDADMP O=C1C[C@@]2(CN1)CCC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420928552 446899083 /nfs/dbraw/zinc/89/90/83/446899083.db2.gz BOSQTGZUVBJTGM-HXUWFJFHSA-N 2 1 343.471 1.621 20 0 EDADMP O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420928552 446899090 /nfs/dbraw/zinc/89/90/90/446899090.db2.gz BOSQTGZUVBJTGM-HXUWFJFHSA-N 2 1 343.471 1.621 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000454539996 446906252 /nfs/dbraw/zinc/90/62/52/446906252.db2.gz JKJXCMLRZYUUQW-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1)c1cnn(C)c1 ZINC000368594908 446967888 /nfs/dbraw/zinc/96/78/88/446967888.db2.gz UYAOALMERHEHKN-RDJZCZTQSA-N 2 1 333.480 1.594 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1)c1cnn(C)c1 ZINC000368594908 446967892 /nfs/dbraw/zinc/96/78/92/446967892.db2.gz UYAOALMERHEHKN-RDJZCZTQSA-N 2 1 333.480 1.594 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000419196010 447005450 /nfs/dbraw/zinc/00/54/50/447005450.db2.gz AFGDMOYJXRDOJE-HNNXBMFYSA-N 2 1 348.491 1.115 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454795223 446972491 /nfs/dbraw/zinc/97/24/91/446972491.db2.gz HFWJJFDIYRMMAA-QXCFHYIPSA-N 2 1 342.487 1.852 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454795223 446972497 /nfs/dbraw/zinc/97/24/97/446972497.db2.gz HFWJJFDIYRMMAA-QXCFHYIPSA-N 2 1 342.487 1.852 20 0 EDADMP O=C(NCC[N@H+]1CC=CCC1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000375693452 446980849 /nfs/dbraw/zinc/98/08/49/446980849.db2.gz SCTAMBBNDKMDOH-DLBZAZTESA-N 2 1 336.480 1.191 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000375693452 446980855 /nfs/dbraw/zinc/98/08/55/446980855.db2.gz SCTAMBBNDKMDOH-DLBZAZTESA-N 2 1 336.480 1.191 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1OCC(N)=O ZINC000368615252 446982270 /nfs/dbraw/zinc/98/22/70/446982270.db2.gz POCQTFIFMLFDHG-BZUAXINKSA-N 2 1 347.459 1.522 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419172306 446987644 /nfs/dbraw/zinc/98/76/44/446987644.db2.gz QVUUYJQYDQPTBZ-ARFHVFGLSA-N 2 1 338.496 1.143 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000372095345 446998670 /nfs/dbraw/zinc/99/86/70/446998670.db2.gz MXNWMIQGXQWTIB-FXUDXRNXSA-N 2 1 341.521 1.087 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)C1 ZINC000372098756 447000709 /nfs/dbraw/zinc/00/07/09/447000709.db2.gz NCOZNFWADOKHCY-OWSLCNJRSA-N 2 1 334.508 1.146 20 0 EDADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000425330561 447119211 /nfs/dbraw/zinc/11/92/11/447119211.db2.gz AXMVSLAFGMQCSQ-IGQOVBAYSA-N 2 1 339.484 1.943 20 0 EDADMP C[N@@H+](C[C@@](C)(O)c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375829850 447084983 /nfs/dbraw/zinc/08/49/83/447084983.db2.gz HTOBPVZIYBVDOP-WOJBJXKFSA-N 2 1 331.504 1.994 20 0 EDADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC[N@@H+](C)C2CCCCC2)C1(C)C ZINC000444178866 447090521 /nfs/dbraw/zinc/09/05/21/447090521.db2.gz YLEWCYVVXWAGKT-MAUKXSAKSA-N 2 1 325.497 1.900 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000377374716 447097305 /nfs/dbraw/zinc/09/73/05/447097305.db2.gz ZBQXMEAUSJTLCP-RYQLBKOJSA-N 2 1 349.523 1.848 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375906680 447137008 /nfs/dbraw/zinc/13/70/08/447137008.db2.gz PQCMHPPVQGPMOF-KSZLIROESA-N 2 1 338.540 1.780 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375906680 447137011 /nfs/dbraw/zinc/13/70/11/447137011.db2.gz PQCMHPPVQGPMOF-KSZLIROESA-N 2 1 338.540 1.780 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000419413608 447160649 /nfs/dbraw/zinc/16/06/49/447160649.db2.gz SFWDEJXFIYHXFB-UHFFFAOYSA-N 2 1 340.512 1.391 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000425437638 447160969 /nfs/dbraw/zinc/16/09/69/447160969.db2.gz BJTKEEJHIFIEAH-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375893580 447127126 /nfs/dbraw/zinc/12/71/26/447127126.db2.gz ZZQQEIJNAHQZCJ-IRXDYDNUSA-N 2 1 325.497 1.819 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC000455428711 447127805 /nfs/dbraw/zinc/12/78/05/447127805.db2.gz HCRXULUOTLISOR-HNNXBMFYSA-N 2 1 336.455 1.993 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425458178 447173396 /nfs/dbraw/zinc/17/33/96/447173396.db2.gz MBHPSERCOQIKPI-QGZVFWFLSA-N 2 1 338.540 1.735 20 0 EDADMP C[C@@H](CN1CCOCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425503254 447197517 /nfs/dbraw/zinc/19/75/17/447197517.db2.gz RSCRAEQKLKSLCT-YSIASYRMSA-N 2 1 329.488 1.913 20 0 EDADMP CSC1(C[NH2+]Cc2c(C)nn(C)c2N2CCC[N@@H+](C)CC2)CC1 ZINC000377623169 447250613 /nfs/dbraw/zinc/25/06/13/447250613.db2.gz ZZOSCDZGRQQTEK-UHFFFAOYSA-N 2 1 337.537 1.856 20 0 EDADMP CN(Cc1cnc(N2CC[NH+](C)CC2)nc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377626692 447254498 /nfs/dbraw/zinc/25/44/98/447254498.db2.gz NTPKMBFHDNDSON-JWTNVVGKSA-N 2 1 344.507 1.285 20 0 EDADMP CN(Cc1cnc(N2CC[NH+](C)CC2)nc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377626692 447254507 /nfs/dbraw/zinc/25/45/07/447254507.db2.gz NTPKMBFHDNDSON-JWTNVVGKSA-N 2 1 344.507 1.285 20 0 EDADMP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369046772 447285693 /nfs/dbraw/zinc/28/56/93/447285693.db2.gz IMONEYQHDYFPDX-IRXDYDNUSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)[NH+](CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(C)C ZINC000369027086 447272724 /nfs/dbraw/zinc/27/27/24/447272724.db2.gz LAMKVBGMWYUAJH-HOTGVXAUSA-N 2 1 326.485 1.268 20 0 EDADMP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000494670541 447455736 /nfs/dbraw/zinc/45/57/36/447455736.db2.gz SPHIEZJYPIGDJR-RLFYNMQTSA-N 2 1 333.476 1.895 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458813565 447481048 /nfs/dbraw/zinc/48/10/48/447481048.db2.gz MNRBNFXMZXMMAA-HOTGVXAUSA-N 2 1 328.501 1.253 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458813565 447481053 /nfs/dbraw/zinc/48/10/53/447481053.db2.gz MNRBNFXMZXMMAA-HOTGVXAUSA-N 2 1 328.501 1.253 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458813565 447481061 /nfs/dbraw/zinc/48/10/61/447481061.db2.gz MNRBNFXMZXMMAA-HOTGVXAUSA-N 2 1 328.501 1.253 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000426772702 447500812 /nfs/dbraw/zinc/50/08/12/447500812.db2.gz LECJJTRISHPLMD-MRXNPFEDSA-N 2 1 347.507 1.684 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419938011 447502138 /nfs/dbraw/zinc/50/21/38/447502138.db2.gz WMRJTBFWKMWRSL-HLLBOEOZSA-N 2 1 346.475 1.182 20 0 EDADMP O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390847575 447502924 /nfs/dbraw/zinc/50/29/24/447502924.db2.gz BYWFXUOHJVZWBV-MSOLQXFVSA-N 2 1 331.460 1.536 20 0 EDADMP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390867558 447504926 /nfs/dbraw/zinc/50/49/26/447504926.db2.gz ONMCAPZCYOIEDF-ZWKOTPCHSA-N 2 1 333.476 1.625 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000457529604 447587959 /nfs/dbraw/zinc/58/79/59/447587959.db2.gz RERMTUXNBDYMBJ-INIZCTEOSA-N 2 1 326.485 1.008 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000457125429 447529399 /nfs/dbraw/zinc/52/93/99/447529399.db2.gz ODWGLKOZBPNFID-INIZCTEOSA-N 2 1 331.460 1.421 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000457125429 447529404 /nfs/dbraw/zinc/52/94/04/447529404.db2.gz ODWGLKOZBPNFID-INIZCTEOSA-N 2 1 331.460 1.421 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000396379031 447542464 /nfs/dbraw/zinc/54/24/64/447542464.db2.gz PJXMYIUBUCQTNY-MJGOQNOKSA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000396379031 447542473 /nfs/dbraw/zinc/54/24/73/447542473.db2.gz PJXMYIUBUCQTNY-MJGOQNOKSA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000396379031 447542477 /nfs/dbraw/zinc/54/24/77/447542477.db2.gz PJXMYIUBUCQTNY-MJGOQNOKSA-N 2 1 335.492 1.132 20 0 EDADMP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000416318051 447570919 /nfs/dbraw/zinc/57/09/19/447570919.db2.gz XIFFZMJMNKGBCM-IRXDYDNUSA-N 2 1 345.487 1.810 20 0 EDADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000416318051 447570925 /nfs/dbraw/zinc/57/09/25/447570925.db2.gz XIFFZMJMNKGBCM-IRXDYDNUSA-N 2 1 345.487 1.810 20 0 EDADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495852378 447607842 /nfs/dbraw/zinc/60/78/42/447607842.db2.gz WJDUFHUYVGEFPN-LSDHHAIUSA-N 2 1 327.469 1.383 20 0 EDADMP C[C@@H]1CCC[C@](CNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)([NH+](C)C)C1 ZINC000458002664 447694367 /nfs/dbraw/zinc/69/43/67/447694367.db2.gz NELDOEXZJJXUFM-RYRKJORJSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1CCC[C@](CNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)([NH+](C)C)C1 ZINC000458002664 447694374 /nfs/dbraw/zinc/69/43/74/447694374.db2.gz NELDOEXZJJXUFM-RYRKJORJSA-N 2 1 340.512 1.205 20 0 EDADMP CN(CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000495962054 447678847 /nfs/dbraw/zinc/67/88/47/447678847.db2.gz OFNRPIKDDHYBAV-WMZOPIPTSA-N 2 1 334.464 1.029 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000422634402 447681022 /nfs/dbraw/zinc/68/10/22/447681022.db2.gz JOKLVJDGTVIWLL-NFAWXSAZSA-N 2 1 332.448 1.419 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000457955689 447684468 /nfs/dbraw/zinc/68/44/68/447684468.db2.gz XWPDCQDJYLBHSX-ZACQAIPSSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccco1 ZINC000416812646 447690126 /nfs/dbraw/zinc/69/01/26/447690126.db2.gz LUSWPEVJGBGXJO-BZUAXINKSA-N 2 1 334.464 1.913 20 0 EDADMP CCC[C@H]1C[NH2+]CCN1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416923409 447711119 /nfs/dbraw/zinc/71/11/19/447711119.db2.gz PUTVZQWVBRWZJQ-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP CCC[C@H]1C[NH2+]CCN1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416923409 447711127 /nfs/dbraw/zinc/71/11/27/447711127.db2.gz PUTVZQWVBRWZJQ-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP CCCN(C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000416947380 447721530 /nfs/dbraw/zinc/72/15/30/447721530.db2.gz XZVKBWBYUHYRRY-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]CC[N@H+](C)C2CCCC2)CC[NH2+]CC1 ZINC000422743093 447735184 /nfs/dbraw/zinc/73/51/84/447735184.db2.gz QXANFEUFEAGARS-HNNXBMFYSA-N 3 1 325.497 1.772 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)CC[NH2+]CC1 ZINC000422743093 447735188 /nfs/dbraw/zinc/73/51/88/447735188.db2.gz QXANFEUFEAGARS-HNNXBMFYSA-N 3 1 325.497 1.772 20 0 EDADMP O=S(=O)(c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1)N1CCCCC1 ZINC000422767340 447744764 /nfs/dbraw/zinc/74/47/64/447744764.db2.gz MVTWAHXXKKHRAB-UHFFFAOYSA-N 2 1 337.489 1.703 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000459733024 447754378 /nfs/dbraw/zinc/75/43/78/447754378.db2.gz GEZSJZRRWJJKGX-MRXNPFEDSA-N 2 1 336.480 1.885 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CC[NH2+]C3)C2=O)c1 ZINC000422916930 447772460 /nfs/dbraw/zinc/77/24/60/447772460.db2.gz BYIHODFTFISSDL-AHIWAGSCSA-N 2 1 333.432 1.397 20 0 EDADMP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1ccc2c(c1)OCCO2 ZINC000430543213 447775881 /nfs/dbraw/zinc/77/58/81/447775881.db2.gz DOUZSJRBBVGHEH-ZIAGYGMSSA-N 2 1 349.475 1.940 20 0 EDADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1ccc2c(c1)OCCO2 ZINC000430543213 447775885 /nfs/dbraw/zinc/77/58/85/447775885.db2.gz DOUZSJRBBVGHEH-ZIAGYGMSSA-N 2 1 349.475 1.940 20 0 EDADMP COCc1ccccc1CNC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430547993 447776151 /nfs/dbraw/zinc/77/61/51/447776151.db2.gz VONBFCKDFASXAT-UHFFFAOYSA-N 2 1 349.475 1.279 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)c2csc(C[NH3+])n2)CC1 ZINC000430716376 447784745 /nfs/dbraw/zinc/78/47/45/447784745.db2.gz VTVAAJGZISISFK-UHFFFAOYSA-N 2 1 326.466 1.221 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000431023654 447789513 /nfs/dbraw/zinc/78/95/13/447789513.db2.gz MOOKYMJBDCKUBJ-SQNIBIBYSA-N 2 1 338.540 1.674 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C12CCOCC2 ZINC000423048579 447797614 /nfs/dbraw/zinc/79/76/14/447797614.db2.gz ISDOROLTLZAZJK-FLXSYLCISA-N 2 1 338.492 1.707 20 0 EDADMP CN(CC[NH2+][C@H]1CCCCC[C@H]1[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423105267 447805776 /nfs/dbraw/zinc/80/57/76/447805776.db2.gz YVCQMIXECGGWEO-CVEARBPZSA-N 2 1 343.468 1.696 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)C1 ZINC000489165887 447852061 /nfs/dbraw/zinc/85/20/61/447852061.db2.gz FODVHTZWZINZGU-LTIDMASMSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000489573952 447864376 /nfs/dbraw/zinc/86/43/76/447864376.db2.gz QNVPVNZDGYVQEK-MPGHIAIKSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000489573952 447864382 /nfs/dbraw/zinc/86/43/82/447864382.db2.gz QNVPVNZDGYVQEK-MPGHIAIKSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000489573952 447864388 /nfs/dbraw/zinc/86/43/88/447864388.db2.gz QNVPVNZDGYVQEK-MPGHIAIKSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574956 447864482 /nfs/dbraw/zinc/86/44/82/447864482.db2.gz TXYRIOCTCCULIF-OLEVXBPZSA-N 2 1 334.508 1.841 20 0 EDADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574956 447864486 /nfs/dbraw/zinc/86/44/86/447864486.db2.gz TXYRIOCTCCULIF-OLEVXBPZSA-N 2 1 334.508 1.841 20 0 EDADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574956 447864494 /nfs/dbraw/zinc/86/44/94/447864494.db2.gz TXYRIOCTCCULIF-OLEVXBPZSA-N 2 1 334.508 1.841 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000489326853 447854665 /nfs/dbraw/zinc/85/46/65/447854665.db2.gz KPOLEOCXRHTBML-DLBZAZTESA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[NH+](C)CC(=O)N(C)CC(C)(C)CNC(=O)C[N@H+](C)C(C)C ZINC000478988183 447822362 /nfs/dbraw/zinc/82/23/62/447822362.db2.gz OGTMFVHBVSWFCZ-UHFFFAOYSA-N 2 1 342.528 1.268 20 0 EDADMP CC(C)[NH+](C)CC(=O)NCC(C)(C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC000478988183 447822365 /nfs/dbraw/zinc/82/23/65/447822365.db2.gz OGTMFVHBVSWFCZ-UHFFFAOYSA-N 2 1 342.528 1.268 20 0 EDADMP CC(C)[NH+](C)CC(=O)NCC(C)(C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC000478988183 447822366 /nfs/dbraw/zinc/82/23/66/447822366.db2.gz OGTMFVHBVSWFCZ-UHFFFAOYSA-N 2 1 342.528 1.268 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C[C@H](C)O1 ZINC000530702473 447943136 /nfs/dbraw/zinc/94/31/36/447943136.db2.gz NOVOCPZGGPJFDR-SOLBZPMBSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C[C@H](C)O1 ZINC000530702473 447943139 /nfs/dbraw/zinc/94/31/39/447943139.db2.gz NOVOCPZGGPJFDR-SOLBZPMBSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C[C@H](C)O1 ZINC000530702473 447943144 /nfs/dbraw/zinc/94/31/44/447943144.db2.gz NOVOCPZGGPJFDR-SOLBZPMBSA-N 2 1 337.508 1.676 20 0 EDADMP OCCN1CC[NH+](CCCC[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000524403443 447929724 /nfs/dbraw/zinc/92/97/24/447929724.db2.gz VHQFCEHUTPURIL-UHFFFAOYSA-N 2 1 331.464 1.043 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](O)C(C)(C)C3)CC2)CC1 ZINC000575934885 447933013 /nfs/dbraw/zinc/93/30/13/447933013.db2.gz ZUYBPABWPYCRGM-KRWDZBQOSA-N 2 1 337.508 1.412 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497258890 448013987 /nfs/dbraw/zinc/01/39/87/448013987.db2.gz FLQDEAUNDPEVKR-CABCVRRESA-N 2 1 329.485 1.536 20 0 EDADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000576196041 447995598 /nfs/dbraw/zinc/99/55/98/447995598.db2.gz LWAWITWRJXRKKE-IPMKNSEASA-N 2 1 349.519 1.745 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000531007150 447999071 /nfs/dbraw/zinc/99/90/71/447999071.db2.gz AJNMFAGBVMAHMJ-GOEBONIOSA-N 2 1 328.526 1.453 20 0 EDADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497213122 447966917 /nfs/dbraw/zinc/96/69/17/447966917.db2.gz HMFQHDXEUWZPLK-CVEARBPZSA-N 2 1 343.512 1.878 20 0 EDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497213122 447966923 /nfs/dbraw/zinc/96/69/23/447966923.db2.gz HMFQHDXEUWZPLK-CVEARBPZSA-N 2 1 343.512 1.878 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CNC[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000576100678 447970786 /nfs/dbraw/zinc/97/07/86/447970786.db2.gz XDLYRESKPYZBHG-HNBVOPMISA-N 2 1 349.519 1.219 20 0 EDADMP [NH3+]C[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000570428568 448012890 /nfs/dbraw/zinc/01/28/90/448012890.db2.gz CCSINDIKAQBVRU-MOPGFXCFSA-N 2 1 344.503 1.931 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576290987 448021077 /nfs/dbraw/zinc/02/10/77/448021077.db2.gz VXNZUFZRSGRKML-RTBURBONSA-N 2 1 345.487 1.472 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496940958 448055896 /nfs/dbraw/zinc/05/58/96/448055896.db2.gz FMNJXEASNATYHN-HOCLYGCPSA-N 2 1 341.496 1.821 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496940958 448055901 /nfs/dbraw/zinc/05/59/01/448055901.db2.gz FMNJXEASNATYHN-HOCLYGCPSA-N 2 1 341.496 1.821 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)[N@@H+](C)C1 ZINC000501742042 448096034 /nfs/dbraw/zinc/09/60/34/448096034.db2.gz AAMWXXATCONZFM-FZKCQIBNSA-N 2 1 326.485 1.220 20 0 EDADMP CCc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)C2)ncn1 ZINC000576631063 448100226 /nfs/dbraw/zinc/10/02/26/448100226.db2.gz YITBCCQSWKPVTO-DOTOQJQBSA-N 2 1 333.480 1.053 20 0 EDADMP CCc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)C2)ncn1 ZINC000576631063 448100231 /nfs/dbraw/zinc/10/02/31/448100231.db2.gz YITBCCQSWKPVTO-DOTOQJQBSA-N 2 1 333.480 1.053 20 0 EDADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000576704477 448120382 /nfs/dbraw/zinc/12/03/82/448120382.db2.gz UMQHGMARHBZZDJ-WOJBJXKFSA-N 3 1 330.520 1.564 20 0 EDADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000576704477 448120386 /nfs/dbraw/zinc/12/03/86/448120386.db2.gz UMQHGMARHBZZDJ-WOJBJXKFSA-N 2 1 330.520 1.564 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000576729887 448128241 /nfs/dbraw/zinc/12/82/41/448128241.db2.gz GPAKTCHQOYNHTO-INMHGKMJSA-N 2 1 334.464 1.312 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000576729887 448128242 /nfs/dbraw/zinc/12/82/42/448128242.db2.gz GPAKTCHQOYNHTO-INMHGKMJSA-N 2 1 334.464 1.312 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000526975561 448128758 /nfs/dbraw/zinc/12/87/58/448128758.db2.gz SJQCQMAXRUVZFA-AWEZNQCLSA-N 2 1 345.447 1.159 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571295709 448129850 /nfs/dbraw/zinc/12/98/50/448129850.db2.gz XWZUMFJSWYRIEM-CYBMUJFWSA-N 2 1 332.448 1.117 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000527058442 448150093 /nfs/dbraw/zinc/15/00/93/448150093.db2.gz LOIYFOROAILLAL-HXUWFJFHSA-N 2 1 347.503 1.814 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000571611027 448176486 /nfs/dbraw/zinc/17/64/86/448176486.db2.gz CHWGRNTZVCMRCC-HZPDHXFCSA-N 2 1 339.528 1.042 20 0 EDADMP CC[C@@H](CO)N1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576954073 448180680 /nfs/dbraw/zinc/18/06/80/448180680.db2.gz DQRRVVLZXHGESX-MOPGFXCFSA-N 2 1 345.487 1.424 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000576954073 448180685 /nfs/dbraw/zinc/18/06/85/448180685.db2.gz DQRRVVLZXHGESX-MOPGFXCFSA-N 2 1 345.487 1.424 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576954073 448180689 /nfs/dbraw/zinc/18/06/89/448180689.db2.gz DQRRVVLZXHGESX-MOPGFXCFSA-N 2 1 345.487 1.424 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CC1CCN(C(=O)c2ccccc2)CC1)C1CC1 ZINC000571754536 448199279 /nfs/dbraw/zinc/19/92/79/448199279.db2.gz OCYSEYYWLXNSHG-LJQANCHMSA-N 2 1 345.487 1.584 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CC1CCN(C(=O)c2ccccc2)CC1)C1CC1 ZINC000571754536 448199283 /nfs/dbraw/zinc/19/92/83/448199283.db2.gz OCYSEYYWLXNSHG-LJQANCHMSA-N 2 1 345.487 1.584 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](C[NH3+])C2)[C@H](C)C1 ZINC000577047285 448199599 /nfs/dbraw/zinc/19/95/99/448199599.db2.gz QNHRULFQXIPRBP-ZACQAIPSSA-N 2 1 340.512 1.504 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H](N)c1cscn1 ZINC000582414554 448229766 /nfs/dbraw/zinc/22/97/66/448229766.db2.gz DSZMCHAGBIOZFB-XNRPHZJLSA-N 2 1 330.457 1.780 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCc3ccccc3)C2)O1 ZINC000527553812 448276266 /nfs/dbraw/zinc/27/62/66/448276266.db2.gz BBFSRYZKKIRHMD-NZSAHSFTSA-N 2 1 345.487 1.481 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCc3ccccc3)C2)O1 ZINC000527553812 448276271 /nfs/dbraw/zinc/27/62/71/448276271.db2.gz BBFSRYZKKIRHMD-NZSAHSFTSA-N 2 1 345.487 1.481 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)O1 ZINC000527553812 448276274 /nfs/dbraw/zinc/27/62/74/448276274.db2.gz BBFSRYZKKIRHMD-NZSAHSFTSA-N 2 1 345.487 1.481 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)O1 ZINC000527553812 448276280 /nfs/dbraw/zinc/27/62/80/448276280.db2.gz BBFSRYZKKIRHMD-NZSAHSFTSA-N 2 1 345.487 1.481 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)O1 ZINC000527543756 448260749 /nfs/dbraw/zinc/26/07/49/448260749.db2.gz QFKFYNPTHUUPCD-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)O1 ZINC000527543756 448260752 /nfs/dbraw/zinc/26/07/52/448260752.db2.gz QFKFYNPTHUUPCD-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)O1 ZINC000527543756 448260758 /nfs/dbraw/zinc/26/07/58/448260758.db2.gz QFKFYNPTHUUPCD-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)O1 ZINC000527543756 448260765 /nfs/dbraw/zinc/26/07/65/448260765.db2.gz QFKFYNPTHUUPCD-NZSAHSFTSA-N 2 1 345.487 1.876 20 0 EDADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000591272373 448303425 /nfs/dbraw/zinc/30/34/25/448303425.db2.gz CALRFIHJUPSFHZ-JKSUJKDBSA-N 2 1 339.480 1.239 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC[N@H+]1C[C@H](C)O ZINC000515840060 448357032 /nfs/dbraw/zinc/35/70/32/448357032.db2.gz CWFHXOZHUUEYGW-LESCRADOSA-N 2 1 331.460 1.177 20 0 EDADMP COc1cccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[NH+]2CCCC2)c1 ZINC000591418230 448357176 /nfs/dbraw/zinc/35/71/76/448357176.db2.gz UNESNPVCMWVXGT-FUHWJXTLSA-N 2 1 331.460 1.900 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CNCC(C)(C)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000572394508 448367786 /nfs/dbraw/zinc/36/77/86/448367786.db2.gz FKLVIJUHCFVKJK-BRWVUGGUSA-N 2 1 327.513 1.168 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)C(C)(C)C)C1 ZINC000532928151 448332961 /nfs/dbraw/zinc/33/29/61/448332961.db2.gz KVAPQQFIHZIYHP-HZPDHXFCSA-N 2 1 327.513 1.826 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H](C)C(C)(C)C)C1 ZINC000532928151 448332967 /nfs/dbraw/zinc/33/29/67/448332967.db2.gz KVAPQQFIHZIYHP-HZPDHXFCSA-N 2 1 327.513 1.826 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H](C)C(C)(C)C)C1 ZINC000532928151 448332971 /nfs/dbraw/zinc/33/29/71/448332971.db2.gz KVAPQQFIHZIYHP-HZPDHXFCSA-N 2 1 327.513 1.826 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000582972303 448393655 /nfs/dbraw/zinc/39/36/55/448393655.db2.gz NAAOMPNIZNIWDL-DZGCQCFKSA-N 2 1 325.403 1.997 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000582972303 448393661 /nfs/dbraw/zinc/39/36/61/448393661.db2.gz NAAOMPNIZNIWDL-DZGCQCFKSA-N 2 1 325.403 1.997 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN2CCOC[C@@H]2C)C1 ZINC000591573200 448393672 /nfs/dbraw/zinc/39/36/72/448393672.db2.gz KJDLTQVCZGRYKR-HOTGVXAUSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000566192729 448410152 /nfs/dbraw/zinc/41/01/52/448410152.db2.gz BPIQBVVXSGOYEZ-GASCZTMLSA-N 2 1 348.491 1.832 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000566192729 448410159 /nfs/dbraw/zinc/41/01/59/448410159.db2.gz BPIQBVVXSGOYEZ-GASCZTMLSA-N 2 1 348.491 1.832 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)CO[C@H]1CCCc2ccccc21 ZINC000566232814 448424162 /nfs/dbraw/zinc/42/41/62/448424162.db2.gz CWGQCVHITKXZCS-NSHGMRRFSA-N 2 1 348.487 1.488 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000566298721 448440062 /nfs/dbraw/zinc/44/00/62/448440062.db2.gz CSBBKVDNYUEKCG-UXLLHSPISA-N 2 1 344.459 1.529 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000566352288 448452143 /nfs/dbraw/zinc/45/21/43/448452143.db2.gz GIEPNCJSWIYEGQ-HNNXBMFYSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2conc2C(C)(C)[NH3+])C[C@H](C)O1 ZINC000516783978 448473596 /nfs/dbraw/zinc/47/35/96/448473596.db2.gz HJZDXBPPGHIGNH-BETUJISGSA-N 2 1 338.452 1.488 20 0 EDADMP CS(=O)(=O)N(CC[N@@H+]1CCC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000578237757 448494948 /nfs/dbraw/zinc/49/49/48/448494948.db2.gz IDJNRKWXKGXJCX-INIZCTEOSA-N 2 1 325.478 1.119 20 0 EDADMP CS(=O)(=O)N(CC[N@H+]1CCC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000578237757 448494954 /nfs/dbraw/zinc/49/49/54/448494954.db2.gz IDJNRKWXKGXJCX-INIZCTEOSA-N 2 1 325.478 1.119 20 0 EDADMP CO[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)[C@@H](C[NH3+])C1 ZINC000517225340 448556050 /nfs/dbraw/zinc/55/60/50/448556050.db2.gz DGBHXDGNMKLPHH-BZUAXINKSA-N 2 1 326.485 1.255 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000517240683 448560876 /nfs/dbraw/zinc/56/08/76/448560876.db2.gz KDPVUYOYVRRWMA-QGZVFWFLSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000536638771 448535622 /nfs/dbraw/zinc/53/56/22/448535622.db2.gz BQQZBGYQBQOUSI-JFIYKMOQSA-N 2 1 330.476 1.845 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000536638771 448535626 /nfs/dbraw/zinc/53/56/26/448535626.db2.gz BQQZBGYQBQOUSI-JFIYKMOQSA-N 2 1 330.476 1.845 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000536638771 448535629 /nfs/dbraw/zinc/53/56/29/448535629.db2.gz BQQZBGYQBQOUSI-JFIYKMOQSA-N 2 1 330.476 1.845 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000584726106 448612530 /nfs/dbraw/zinc/61/25/30/448612530.db2.gz WPSNMUDZGFATTN-BLLLJJGKSA-N 2 1 340.855 1.356 20 0 EDADMP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CCCC[NH+]1CCOCC1 ZINC000573396851 448615581 /nfs/dbraw/zinc/61/55/81/448615581.db2.gz ZXYINHWXWGWHSP-KRWDZBQOSA-N 2 1 325.497 1.822 20 0 EDADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CCCC[NH+]1CCOCC1 ZINC000573396851 448615585 /nfs/dbraw/zinc/61/55/85/448615585.db2.gz ZXYINHWXWGWHSP-KRWDZBQOSA-N 2 1 325.497 1.822 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000517752875 448615949 /nfs/dbraw/zinc/61/59/49/448615949.db2.gz LJZAZKKECNHGBC-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000517752875 448615952 /nfs/dbraw/zinc/61/59/52/448615952.db2.gz LJZAZKKECNHGBC-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000517752875 448615955 /nfs/dbraw/zinc/61/59/55/448615955.db2.gz LJZAZKKECNHGBC-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000578866683 448656729 /nfs/dbraw/zinc/65/67/29/448656729.db2.gz WBHDGCAWBLQFDD-SJORKVTESA-N 2 1 331.460 1.824 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000578866683 448656732 /nfs/dbraw/zinc/65/67/32/448656732.db2.gz WBHDGCAWBLQFDD-SJORKVTESA-N 2 1 331.460 1.824 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NCC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000578905510 448669572 /nfs/dbraw/zinc/66/95/72/448669572.db2.gz GMSXKUQNKDOSPQ-OAHLLOKOSA-N 2 1 339.867 1.516 20 0 EDADMP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c(C)s1 ZINC000540148794 448632214 /nfs/dbraw/zinc/63/22/14/448632214.db2.gz DVTLLMKBVZZJHI-RISCZKNCSA-N 2 1 345.534 1.573 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000541544299 448679541 /nfs/dbraw/zinc/67/95/41/448679541.db2.gz SYLRXXAIRVCTAX-HNNXBMFYSA-N 2 1 330.432 1.214 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[NH2+]C[C@@H]1C(C)C)[NH+](C)C ZINC000529280559 448806390 /nfs/dbraw/zinc/80/63/90/448806390.db2.gz CCUSWCRSGYSMNY-SJORKVTESA-N 2 1 348.491 1.937 20 0 EDADMP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000545918513 448807931 /nfs/dbraw/zinc/80/79/31/448807931.db2.gz PATQHPYFXTZAGF-SJORKVTESA-N 2 1 347.507 1.910 20 0 EDADMP [NH3+]C1CCC(OCC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000579350445 448773770 /nfs/dbraw/zinc/77/37/70/448773770.db2.gz MSBROMPENCVFIH-BACDZXNISA-N 2 1 339.480 1.033 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]2(C)CO)CC1 ZINC000545396505 448794002 /nfs/dbraw/zinc/79/40/02/448794002.db2.gz QAAQFTTVILPPFE-YLJYHZDGSA-N 2 1 345.487 1.739 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]2(C)CO)CC1 ZINC000545396505 448794005 /nfs/dbraw/zinc/79/40/05/448794005.db2.gz QAAQFTTVILPPFE-YLJYHZDGSA-N 2 1 345.487 1.739 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000568458518 448872241 /nfs/dbraw/zinc/87/22/41/448872241.db2.gz JBENENXEPDWKJU-XIRDDKMYSA-N 2 1 340.512 1.392 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000520577787 448912605 /nfs/dbraw/zinc/91/26/05/448912605.db2.gz ANTUOYLJGYXCAJ-GASCZTMLSA-N 2 1 334.464 1.444 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC[NH2+]1 ZINC000579935156 448913544 /nfs/dbraw/zinc/91/35/44/448913544.db2.gz WKXCUYQWTPCILJ-CVEARBPZSA-N 2 1 346.475 1.411 20 0 EDADMP [NH3+]C1(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CCCCC1 ZINC000574666556 448929582 /nfs/dbraw/zinc/92/95/82/448929582.db2.gz OCCDAHMCBKPJGI-HZPDHXFCSA-N 2 1 338.496 1.591 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H](C[NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000569367044 449014935 /nfs/dbraw/zinc/01/49/35/449014935.db2.gz XASGVNMSJXJHQK-ZWKOTPCHSA-N 2 1 333.476 1.688 20 0 EDADMP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000582125098 449018026 /nfs/dbraw/zinc/01/80/26/449018026.db2.gz GUGMFUYGNDELRL-LJQANCHMSA-N 2 1 343.471 1.444 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)ccn1 ZINC000530021871 449026265 /nfs/dbraw/zinc/02/62/65/449026265.db2.gz AFRCLJXBTAYQOT-QGZVFWFLSA-N 2 1 346.475 1.769 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000522330339 449077969 /nfs/dbraw/zinc/07/79/69/449077969.db2.gz UHRPOESDGCQTKB-MRXNPFEDSA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000522330339 449077972 /nfs/dbraw/zinc/07/79/72/449077972.db2.gz UHRPOESDGCQTKB-MRXNPFEDSA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000522330339 449077975 /nfs/dbraw/zinc/07/79/75/449077975.db2.gz UHRPOESDGCQTKB-MRXNPFEDSA-N 2 1 339.528 1.042 20 0 EDADMP C[N@H+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C2(CCCCC2)C1 ZINC000592960637 449084515 /nfs/dbraw/zinc/08/45/15/449084515.db2.gz AHMXVECPULXSEH-OAHLLOKOSA-N 2 1 345.491 1.810 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC(N)=O)cc2)[C@@H](C)C1 ZINC000604418250 449228040 /nfs/dbraw/zinc/22/80/40/449228040.db2.gz NMCIIYQAXZHBAA-LPHOPBHVSA-N 2 1 347.503 1.941 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)C[C@@H]1C ZINC000595956133 449280525 /nfs/dbraw/zinc/28/05/25/449280525.db2.gz KRHIBNYZSJIOEU-GJZGRUSLSA-N 2 1 327.469 1.093 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)C[C@@H]1C ZINC000595956133 449280531 /nfs/dbraw/zinc/28/05/31/449280531.db2.gz KRHIBNYZSJIOEU-GJZGRUSLSA-N 2 1 327.469 1.093 20 0 EDADMP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)c21 ZINC000595958608 449282668 /nfs/dbraw/zinc/28/26/68/449282668.db2.gz FQSTYERZMJXACS-BPUTZDHNSA-N 2 1 331.464 1.466 20 0 EDADMP COc1ccc2c(NCC[N@H+](C)CCC[NH+](C)C)ncnc2c1F ZINC000596425225 449495370 /nfs/dbraw/zinc/49/53/70/449495370.db2.gz QWXVUDBRWUQBNB-UHFFFAOYSA-N 2 1 335.427 2.073 20 0 EDADMP COc1ccc2c(NCC[N@@H+](C)CCC[NH+](C)C)ncnc2c1F ZINC000596425225 449495375 /nfs/dbraw/zinc/49/53/75/449495375.db2.gz QWXVUDBRWUQBNB-UHFFFAOYSA-N 2 1 335.427 2.073 20 0 EDADMP C[NH+]1CCN(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000600946905 449608912 /nfs/dbraw/zinc/60/89/12/449608912.db2.gz FZFMACBBOZNULP-UHFFFAOYSA-N 2 1 330.476 1.146 20 0 EDADMP Cc1cccn2cc(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc12 ZINC000617504664 449650102 /nfs/dbraw/zinc/65/01/02/449650102.db2.gz DTRCUJNOQNCILR-INIZCTEOSA-N 2 1 345.491 1.573 20 0 EDADMP Cc1cccn2cc(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc12 ZINC000617504664 449650105 /nfs/dbraw/zinc/65/01/05/449650105.db2.gz DTRCUJNOQNCILR-INIZCTEOSA-N 2 1 345.491 1.573 20 0 EDADMP Cc1[nH]nc2ncc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc12 ZINC000617504955 449650440 /nfs/dbraw/zinc/65/04/40/449650440.db2.gz QQNAHCBQACAPDW-LBPRGKRZSA-N 2 1 332.452 1.268 20 0 EDADMP Cc1[nH]nc2ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc12 ZINC000617504955 449650444 /nfs/dbraw/zinc/65/04/44/449650444.db2.gz QQNAHCBQACAPDW-LBPRGKRZSA-N 2 1 332.452 1.268 20 0 EDADMP Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506620 449656728 /nfs/dbraw/zinc/65/67/28/449656728.db2.gz UALMWVVFJIFXQH-KBPBESRZSA-N 2 1 337.512 1.908 20 0 EDADMP Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506620 449656740 /nfs/dbraw/zinc/65/67/40/449656740.db2.gz UALMWVVFJIFXQH-KBPBESRZSA-N 2 1 337.512 1.908 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000601027540 449660764 /nfs/dbraw/zinc/66/07/64/449660764.db2.gz PNYYEWVICNHNDB-KRWDZBQOSA-N 2 1 331.460 1.729 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)COc1ccccc1F ZINC000617503766 449646090 /nfs/dbraw/zinc/64/60/90/449646090.db2.gz YFKSTLGXBREVJX-AWEZNQCLSA-N 2 1 325.428 1.593 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)COc1ccccc1F ZINC000617503766 449646093 /nfs/dbraw/zinc/64/60/93/449646093.db2.gz YFKSTLGXBREVJX-AWEZNQCLSA-N 2 1 325.428 1.593 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCc2ccccc2O1 ZINC000617502548 449646139 /nfs/dbraw/zinc/64/61/39/449646139.db2.gz UBIQFLJHXVGWIO-YJBOKZPZSA-N 2 1 333.476 1.768 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCc2ccccc2O1 ZINC000617502548 449646141 /nfs/dbraw/zinc/64/61/41/449646141.db2.gz UBIQFLJHXVGWIO-YJBOKZPZSA-N 2 1 333.476 1.768 20 0 EDADMP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000594917288 449805762 /nfs/dbraw/zinc/80/57/62/449805762.db2.gz IVAPDWUAVMEVFS-FHLIZLRMSA-N 2 1 332.444 1.806 20 0 EDADMP C[C@@]1(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000612877268 449922923 /nfs/dbraw/zinc/92/29/23/449922923.db2.gz RDAQALICLUQBPM-PKOBYXMFSA-N 2 1 330.476 1.950 20 0 EDADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000612964244 449960021 /nfs/dbraw/zinc/96/00/21/449960021.db2.gz OWUROKVPZAADSY-DLBZAZTESA-N 2 1 328.460 1.702 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCN3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000595340350 450054239 /nfs/dbraw/zinc/05/42/39/450054239.db2.gz RTJIDLKBTBVOLT-QRVBRYPASA-N 2 1 338.540 1.196 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3COc4ccccc4O3)C2)CC1 ZINC000610250277 450163751 /nfs/dbraw/zinc/16/37/51/450163751.db2.gz LZUCABGOKSLNSC-ROUUACIJSA-N 2 1 345.487 1.927 20 0 EDADMP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1Cc1ccccn1)C2 ZINC000615616630 450168765 /nfs/dbraw/zinc/16/87/65/450168765.db2.gz LNGZVJAYFIJTKY-UYAOXDASSA-N 2 1 342.487 1.990 20 0 EDADMP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1Cc1ccccn1)C2 ZINC000615616630 450168770 /nfs/dbraw/zinc/16/87/70/450168770.db2.gz LNGZVJAYFIJTKY-UYAOXDASSA-N 2 1 342.487 1.990 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C2 ZINC000615616630 450168774 /nfs/dbraw/zinc/16/87/74/450168774.db2.gz LNGZVJAYFIJTKY-UYAOXDASSA-N 2 1 342.487 1.990 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)C2 ZINC000615616630 450168778 /nfs/dbraw/zinc/16/87/78/450168778.db2.gz LNGZVJAYFIJTKY-UYAOXDASSA-N 2 1 342.487 1.990 20 0 EDADMP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1Cc1ccccn1)C2 ZINC000615616629 450169436 /nfs/dbraw/zinc/16/94/36/450169436.db2.gz LNGZVJAYFIJTKY-QUCCMNQESA-N 2 1 342.487 1.990 20 0 EDADMP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1Cc1ccccn1)C2 ZINC000615616629 450169441 /nfs/dbraw/zinc/16/94/41/450169441.db2.gz LNGZVJAYFIJTKY-QUCCMNQESA-N 2 1 342.487 1.990 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C2 ZINC000615616629 450169447 /nfs/dbraw/zinc/16/94/47/450169447.db2.gz LNGZVJAYFIJTKY-QUCCMNQESA-N 2 1 342.487 1.990 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)C2 ZINC000615616629 450169454 /nfs/dbraw/zinc/16/94/54/450169454.db2.gz LNGZVJAYFIJTKY-QUCCMNQESA-N 2 1 342.487 1.990 20 0 EDADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000618307373 450132126 /nfs/dbraw/zinc/13/21/26/450132126.db2.gz CEJZFJMYZXJZBR-UHFFFAOYSA-N 2 1 340.512 1.119 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1)C1CC1 ZINC000595550946 450226186 /nfs/dbraw/zinc/22/61/86/450226186.db2.gz PQLCBPBOFRLKCP-HNNXBMFYSA-N 2 1 342.480 1.312 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1)C1CC1 ZINC000595550946 450226190 /nfs/dbraw/zinc/22/61/90/450226190.db2.gz PQLCBPBOFRLKCP-HNNXBMFYSA-N 2 1 342.480 1.312 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000618553553 450242280 /nfs/dbraw/zinc/24/22/80/450242280.db2.gz JJZRWSTYBAIEIT-MAUKXSAKSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CCC[NH+](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000618553553 450242285 /nfs/dbraw/zinc/24/22/85/450242285.db2.gz JJZRWSTYBAIEIT-MAUKXSAKSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CCC[NH+](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000618553553 450242288 /nfs/dbraw/zinc/24/22/88/450242288.db2.gz JJZRWSTYBAIEIT-MAUKXSAKSA-N 2 1 330.476 1.827 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000625362903 450314091 /nfs/dbraw/zinc/31/40/91/450314091.db2.gz GCMWZWXFESLMSN-OKZBNKHCSA-N 2 1 331.460 1.169 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000625362903 450314095 /nfs/dbraw/zinc/31/40/95/450314095.db2.gz GCMWZWXFESLMSN-OKZBNKHCSA-N 2 1 331.460 1.169 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000625362903 450314101 /nfs/dbraw/zinc/31/41/01/450314101.db2.gz GCMWZWXFESLMSN-OKZBNKHCSA-N 2 1 331.460 1.169 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000619898643 450366455 /nfs/dbraw/zinc/36/64/55/450366455.db2.gz SPLILUGNBXPKHT-PKOBYXMFSA-N 2 1 345.487 1.785 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000619898643 450366462 /nfs/dbraw/zinc/36/64/62/450366462.db2.gz SPLILUGNBXPKHT-PKOBYXMFSA-N 2 1 345.487 1.785 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000619899842 450367323 /nfs/dbraw/zinc/36/73/23/450367323.db2.gz PRUXXHGSXZWKJZ-MJGOQNOKSA-N 2 1 331.460 1.224 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000619899842 450367327 /nfs/dbraw/zinc/36/73/27/450367327.db2.gz PRUXXHGSXZWKJZ-MJGOQNOKSA-N 2 1 331.460 1.224 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000619899842 450367331 /nfs/dbraw/zinc/36/73/31/450367331.db2.gz PRUXXHGSXZWKJZ-MJGOQNOKSA-N 2 1 331.460 1.224 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000619904861 450369913 /nfs/dbraw/zinc/36/99/13/450369913.db2.gz QYPVNIKDVMLHSA-CVEARBPZSA-N 2 1 325.522 1.804 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC000616783033 450483947 /nfs/dbraw/zinc/48/39/47/450483947.db2.gz XXWKBVIDGFMJNJ-HOTGVXAUSA-N 2 1 340.512 1.210 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C[NH+]1CCOCC1 ZINC000625748845 450495238 /nfs/dbraw/zinc/49/52/38/450495238.db2.gz RNOVIYKYOXBGEP-YTQUADARSA-N 2 1 345.487 1.416 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C[NH+]1CCOCC1 ZINC000625748845 450495241 /nfs/dbraw/zinc/49/52/41/450495241.db2.gz RNOVIYKYOXBGEP-YTQUADARSA-N 2 1 345.487 1.416 20 0 EDADMP C[NH+](C)[C@H](CC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620478874 450498006 /nfs/dbraw/zinc/49/80/06/450498006.db2.gz JISYPHKMMWZYKD-RTBURBONSA-N 2 1 345.487 1.737 20 0 EDADMP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000620723666 450532813 /nfs/dbraw/zinc/53/28/13/450532813.db2.gz OZQHGTOGIUMWFH-GOSISDBHSA-N 2 1 332.492 1.259 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000620723666 450532814 /nfs/dbraw/zinc/53/28/14/450532814.db2.gz OZQHGTOGIUMWFH-GOSISDBHSA-N 2 1 332.492 1.259 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000620723666 450532816 /nfs/dbraw/zinc/53/28/16/450532816.db2.gz OZQHGTOGIUMWFH-GOSISDBHSA-N 2 1 332.492 1.259 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000620723666 450532817 /nfs/dbraw/zinc/53/28/17/450532817.db2.gz OZQHGTOGIUMWFH-GOSISDBHSA-N 2 1 332.492 1.259 20 0 EDADMP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000623574877 450545635 /nfs/dbraw/zinc/54/56/35/450545635.db2.gz ZPFPGKQKJBANFX-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP CN(c1ccccc1C[N@@H+](C)CCOCC[NH3+])C1CC[NH+](C)CC1 ZINC000629665852 450774737 /nfs/dbraw/zinc/77/47/37/450774737.db2.gz QFRYMNLLBJTNPO-UHFFFAOYSA-N 3 1 334.508 1.624 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840273 450807976 /nfs/dbraw/zinc/80/79/76/450807976.db2.gz RBJSSNRHOCDUFW-BZUAXINKSA-N 2 1 348.466 1.389 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)CC2 ZINC000631843246 450813470 /nfs/dbraw/zinc/81/34/70/450813470.db2.gz LFEOYBNCLDSLSK-CZUORRHYSA-N 2 1 347.459 1.115 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)CC2 ZINC000631843246 450813473 /nfs/dbraw/zinc/81/34/73/450813473.db2.gz LFEOYBNCLDSLSK-CZUORRHYSA-N 2 1 347.459 1.115 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621656727 450818341 /nfs/dbraw/zinc/81/83/41/450818341.db2.gz VZYZDQQVOYYPCU-RDJZCZTQSA-N 2 1 331.460 1.948 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000631860055 450830624 /nfs/dbraw/zinc/83/06/24/450830624.db2.gz GYPPBEDPELGUCF-PKOBYXMFSA-N 2 1 344.503 1.451 20 0 EDADMP C[C@H](C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+](C)C ZINC000635266599 450795066 /nfs/dbraw/zinc/79/50/66/450795066.db2.gz PKRZVCFYNDBEOG-OWCLPIDISA-N 2 1 333.476 1.862 20 0 EDADMP CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000631829388 450801073 /nfs/dbraw/zinc/80/10/73/450801073.db2.gz PJJRXDHJSKOJEV-HRCADAONSA-N 2 1 349.479 1.450 20 0 EDADMP CCCn1nccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000631829388 450801078 /nfs/dbraw/zinc/80/10/78/450801078.db2.gz PJJRXDHJSKOJEV-HRCADAONSA-N 2 1 349.479 1.450 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631889399 450851037 /nfs/dbraw/zinc/85/10/37/450851037.db2.gz FMYTZKHAWSFXPN-UHFFFAOYSA-N 2 1 345.553 1.854 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)CCC[NH+](C)C)C1 ZINC000631940295 450897499 /nfs/dbraw/zinc/89/74/99/450897499.db2.gz SNFDDEDNWVZKRH-HNNXBMFYSA-N 2 1 333.542 1.758 20 0 EDADMP C[C@@H](CNS(=O)(=O)CCC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000631940489 450897768 /nfs/dbraw/zinc/89/77/68/450897768.db2.gz YKXPUSRQUNBIHO-HNNXBMFYSA-N 2 1 327.494 1.378 20 0 EDADMP C[N@H+]1CCCC[C@@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000624616627 450926472 /nfs/dbraw/zinc/92/64/72/450926472.db2.gz HKFFSLOAISLYBE-INIZCTEOSA-N 2 1 331.464 1.645 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[NH2+]1 ZINC000626924771 451007790 /nfs/dbraw/zinc/00/77/90/451007790.db2.gz XDDZFDSZDPKNNE-CRAIPNDOSA-N 2 1 346.475 1.459 20 0 EDADMP [NH3+]CCCOCCNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000626934956 451017283 /nfs/dbraw/zinc/01/72/83/451017283.db2.gz SIEATVKABCNNQD-UHFFFAOYSA-N 2 1 334.464 1.099 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000626964902 451037704 /nfs/dbraw/zinc/03/77/04/451037704.db2.gz LLAYAVIIDMLDFD-AAEUAGOBSA-N 2 1 336.402 1.639 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC000635550837 451046274 /nfs/dbraw/zinc/04/62/74/451046274.db2.gz JIFQCWRZXSSGSH-MRXNPFEDSA-N 2 1 334.508 1.147 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC000635550837 451046280 /nfs/dbraw/zinc/04/62/80/451046280.db2.gz JIFQCWRZXSSGSH-MRXNPFEDSA-N 2 1 334.508 1.147 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000626969225 451041642 /nfs/dbraw/zinc/04/16/42/451041642.db2.gz RLYGKEZECMHURF-CEXWTWQISA-N 2 1 344.503 1.991 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000633865064 451052778 /nfs/dbraw/zinc/05/27/78/451052778.db2.gz BHARWPJTAUKPST-JKSUJKDBSA-N 2 1 339.528 1.183 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000633865064 451052784 /nfs/dbraw/zinc/05/27/84/451052784.db2.gz BHARWPJTAUKPST-JKSUJKDBSA-N 2 1 339.528 1.183 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000633865064 451052790 /nfs/dbraw/zinc/05/27/90/451052790.db2.gz BHARWPJTAUKPST-JKSUJKDBSA-N 2 1 339.528 1.183 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000633865064 451052796 /nfs/dbraw/zinc/05/27/96/451052796.db2.gz BHARWPJTAUKPST-JKSUJKDBSA-N 2 1 339.528 1.183 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000633865064 451052801 /nfs/dbraw/zinc/05/28/01/451052801.db2.gz BHARWPJTAUKPST-JKSUJKDBSA-N 2 1 339.528 1.183 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000632144615 451070032 /nfs/dbraw/zinc/07/00/32/451070032.db2.gz HCTDVZRBYRMREK-OAHLLOKOSA-N 2 1 329.510 1.074 20 0 EDADMP C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627010787 451074849 /nfs/dbraw/zinc/07/48/49/451074849.db2.gz SJJWQHDNGOTWHZ-WMZOPIPTSA-N 2 1 348.491 1.514 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627011585 451075420 /nfs/dbraw/zinc/07/54/20/451075420.db2.gz DZCUGECSAVTRJY-HUUCEWRRSA-N 2 1 326.485 1.175 20 0 EDADMP Cc1ccc(CNC(=O)NC2(C[NH3+])CCOCC2)c(N2CCCC2)[nH+]1 ZINC000627011795 451075919 /nfs/dbraw/zinc/07/59/19/451075919.db2.gz KJUSTYXZEZKBDX-UHFFFAOYSA-N 2 1 347.463 1.297 20 0 EDADMP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000635631033 451119994 /nfs/dbraw/zinc/11/99/94/451119994.db2.gz PZPPVXZODWOCOE-IBGZPJMESA-N 2 1 331.460 1.081 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000622497725 451159644 /nfs/dbraw/zinc/15/96/44/451159644.db2.gz CUZDJANJFTXFBI-QGZVFWFLSA-N 2 1 328.416 1.075 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000622497725 451159649 /nfs/dbraw/zinc/15/96/49/451159649.db2.gz CUZDJANJFTXFBI-QGZVFWFLSA-N 2 1 328.416 1.075 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC[N@H+]1CCOC ZINC000627202070 451185039 /nfs/dbraw/zinc/18/50/39/451185039.db2.gz NDWKLFLXAANCTF-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC000635723182 451199025 /nfs/dbraw/zinc/19/90/25/451199025.db2.gz ZDIZTJOJMXAXOQ-BZUAXINKSA-N 2 1 325.497 1.674 20 0 EDADMP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)[NH+](C)C ZINC000635734537 451206359 /nfs/dbraw/zinc/20/63/59/451206359.db2.gz ONBYVTLZTCTBHU-KBAYOESNSA-N 2 1 338.540 1.732 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000632337766 451208272 /nfs/dbraw/zinc/20/82/72/451208272.db2.gz WAQWKBIYLFCZBA-HNNXBMFYSA-N 2 1 331.457 1.300 20 0 EDADMP C[C@H]1C[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)CC[N@H+]1C ZINC000634194303 451231470 /nfs/dbraw/zinc/23/14/70/451231470.db2.gz RYNODJWRCXTLAA-GJZGRUSLSA-N 2 1 331.464 1.502 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638085875 451250972 /nfs/dbraw/zinc/25/09/72/451250972.db2.gz UPKJJYHGFKCDSN-QGZVFWFLSA-N 3 1 346.519 1.826 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1 ZINC000628453898 451254934 /nfs/dbraw/zinc/25/49/34/451254934.db2.gz NYKNAEDONQXJRV-KDURUIRLSA-N 2 1 336.476 1.440 20 0 EDADMP C[C@H](O)CN1CCN(C(=O)C[C@H](n2ccnc2)C(F)(F)F)[C@H](C)C1 ZINC000635818830 451266273 /nfs/dbraw/zinc/26/62/73/451266273.db2.gz MRJUUIJBRHSHDY-AGIUHOORSA-N 2 1 348.369 1.290 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@]2(C)C[NH2+]CCO2)cc1)[NH+]1CCOCC1 ZINC000638101141 451266480 /nfs/dbraw/zinc/26/64/80/451266480.db2.gz NZZLEUOCBMDYAP-KDOFPFPSSA-N 2 1 333.432 1.397 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000638103478 451269974 /nfs/dbraw/zinc/26/99/74/451269974.db2.gz OTBSNQPJGLJTHA-KPFFTGBYSA-N 2 1 345.487 1.911 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)c2cnc(C[NH3+])nc2)CC[N@H+]1Cc1ccccc1 ZINC000638104427 451272231 /nfs/dbraw/zinc/27/22/31/451272231.db2.gz ZQCGKEXMFRPGGM-PBHICJAKSA-N 2 1 339.443 1.718 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000638110596 451278418 /nfs/dbraw/zinc/27/84/18/451278418.db2.gz GTBYCLLCNYXRSW-SJLPKXTDSA-N 2 1 333.476 1.659 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000638116013 451284967 /nfs/dbraw/zinc/28/49/67/451284967.db2.gz BZUIZGHBKKMVTL-ZIFCJYIRSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000638137408 451310016 /nfs/dbraw/zinc/31/00/16/451310016.db2.gz JXOFKGYDMYCEQX-WBVHZDCISA-N 2 1 328.460 1.361 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@]3(C[NH3+])CCCOC3)cc2)CC1 ZINC000638137456 451310596 /nfs/dbraw/zinc/31/05/96/451310596.db2.gz VNGDOBQQMSLKOJ-IBGZPJMESA-N 2 1 346.475 1.128 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)CCC2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000638137790 451313242 /nfs/dbraw/zinc/31/32/42/451313242.db2.gz NVSNNEJBNLOSII-IBGZPJMESA-N 2 1 344.503 1.481 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)CCC2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000638137790 451313250 /nfs/dbraw/zinc/31/32/50/451313250.db2.gz NVSNNEJBNLOSII-IBGZPJMESA-N 2 1 344.503 1.481 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)CCC2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000638137790 451313258 /nfs/dbraw/zinc/31/32/58/451313258.db2.gz NVSNNEJBNLOSII-IBGZPJMESA-N 2 1 344.503 1.481 20 0 EDADMP CC[NH2+][C@H](C)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000638139149 451315263 /nfs/dbraw/zinc/31/52/63/451315263.db2.gz JDHIDAFRVUZQJB-OAHLLOKOSA-N 2 1 334.464 1.249 20 0 EDADMP [NH3+][C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)C1CC1 ZINC000638155708 451325961 /nfs/dbraw/zinc/32/59/61/451325961.db2.gz XWUQJRWFRSOQGT-IPMKNSEASA-N 2 1 327.472 1.998 20 0 EDADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC000635948117 451388894 /nfs/dbraw/zinc/38/88/94/451388894.db2.gz HYEZWPKAUNLHQA-OAHLLOKOSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635948117 451388898 /nfs/dbraw/zinc/38/88/98/451388898.db2.gz HYEZWPKAUNLHQA-OAHLLOKOSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635948117 451388903 /nfs/dbraw/zinc/38/89/03/451388903.db2.gz HYEZWPKAUNLHQA-OAHLLOKOSA-N 2 1 325.497 1.676 20 0 EDADMP CN(C(=O)c1cnc(C[NH3+])nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638272367 451392549 /nfs/dbraw/zinc/39/25/49/451392549.db2.gz MNLSXIHCTVQMQV-MRXNPFEDSA-N 2 1 325.416 1.282 20 0 EDADMP CO[C@]1(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CCOC1 ZINC000638285711 451403089 /nfs/dbraw/zinc/40/30/89/451403089.db2.gz JYSVOSZVVBOFAV-WBVHZDCISA-N 2 1 339.505 1.432 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638288029 451404009 /nfs/dbraw/zinc/40/40/09/451404009.db2.gz YVHOGVHVJSLKFA-KBAYOESNSA-N 2 1 332.492 1.244 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638288029 451404014 /nfs/dbraw/zinc/40/40/14/451404014.db2.gz YVHOGVHVJSLKFA-KBAYOESNSA-N 2 1 332.492 1.244 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638288029 451404017 /nfs/dbraw/zinc/40/40/17/451404017.db2.gz YVHOGVHVJSLKFA-KBAYOESNSA-N 2 1 332.492 1.244 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638335312 451439721 /nfs/dbraw/zinc/43/97/21/451439721.db2.gz LUQRGBDJZACFPL-JTQLQIEISA-N 2 1 328.463 1.326 20 0 EDADMP C[NH+](C)Cc1ccnc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000640569702 451414996 /nfs/dbraw/zinc/41/49/96/451414996.db2.gz UMSAKDAPPKAUHD-UHFFFAOYSA-N 2 1 348.495 1.291 20 0 EDADMP CC(C)[NH+]1CCC([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000638320829 451430677 /nfs/dbraw/zinc/43/06/77/451430677.db2.gz SFDJOWWRNBKNGB-UHFFFAOYSA-N 2 1 331.526 1.699 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ncccn2n1 ZINC000630878975 451457809 /nfs/dbraw/zinc/45/78/09/451457809.db2.gz CUJATGVVFHFGDZ-HNNXBMFYSA-N 2 1 344.463 1.217 20 0 EDADMP CCNC(=O)N1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634707976 451485232 /nfs/dbraw/zinc/48/52/32/451485232.db2.gz OMMBBCWKGYJZSV-PKOBYXMFSA-N 2 1 346.475 1.017 20 0 EDADMP CCNC(=O)N1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634707976 451485239 /nfs/dbraw/zinc/48/52/39/451485239.db2.gz OMMBBCWKGYJZSV-PKOBYXMFSA-N 2 1 346.475 1.017 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000638402397 451491401 /nfs/dbraw/zinc/49/14/01/451491401.db2.gz LTPSIAVKQLUAIQ-NVXWUHKLSA-N 2 1 333.476 1.802 20 0 EDADMP CN(CC[NH3+])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000638343104 451446368 /nfs/dbraw/zinc/44/63/68/451446368.db2.gz LBHUJDGVCZPBOG-HZPDHXFCSA-N 2 1 344.484 1.776 20 0 EDADMP CN(CC[NH3+])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000638342889 451446950 /nfs/dbraw/zinc/44/69/50/451446950.db2.gz IZHAVAIDEDJUGT-RBUKOAKNSA-N 2 1 338.455 1.714 20 0 EDADMP CCCN1C[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000634717254 451497034 /nfs/dbraw/zinc/49/70/34/451497034.db2.gz IHYCDRAPCOTTDK-ICSRJNTNSA-N 2 1 345.487 1.472 20 0 EDADMP CCCN1C[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000634717254 451497036 /nfs/dbraw/zinc/49/70/36/451497036.db2.gz IHYCDRAPCOTTDK-ICSRJNTNSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000634724284 451505398 /nfs/dbraw/zinc/50/53/98/451505398.db2.gz NGDSPMUNJJWCCJ-RLLQIKCJSA-N 2 1 347.503 1.037 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cn2)CC1 ZINC000636814681 451529521 /nfs/dbraw/zinc/52/95/21/451529521.db2.gz GSRJDXCTBVKAJY-HNNXBMFYSA-N 2 1 346.479 1.756 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)O1 ZINC000634769977 451538208 /nfs/dbraw/zinc/53/82/08/451538208.db2.gz VFRJJRFBVICGED-UIXUWTQFSA-N 2 1 343.471 1.534 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)O1 ZINC000634769977 451538214 /nfs/dbraw/zinc/53/82/14/451538214.db2.gz VFRJJRFBVICGED-UIXUWTQFSA-N 2 1 343.471 1.534 20 0 EDADMP [NH3+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000638539516 451568265 /nfs/dbraw/zinc/56/82/65/451568265.db2.gz BFFXSONRKPQKEZ-KRWDZBQOSA-N 2 1 331.460 1.665 20 0 EDADMP [NH3+][C@@H](C(=O)NCC1([NH3+])CCOCC1)c1ccccc1Br ZINC000638541614 451568703 /nfs/dbraw/zinc/56/87/03/451568703.db2.gz SSCODWUUYHMFCU-GFCCVEGCSA-N 2 1 342.237 1.073 20 0 EDADMP Cc1nc2ccccc2nc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000638548215 451572536 /nfs/dbraw/zinc/57/25/36/451572536.db2.gz DGBNTRJRUHOTFX-UHFFFAOYSA-N 2 1 327.432 1.192 20 0 EDADMP C[N@@H+](CC(=O)N(CCN1CCOCC1)CC1CC1)CC(C)(C)C ZINC000636225167 451601944 /nfs/dbraw/zinc/60/19/44/451601944.db2.gz SYPHTIPKDXHKIA-UHFFFAOYSA-N 2 1 325.497 1.535 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638567109 451579580 /nfs/dbraw/zinc/57/95/80/451579580.db2.gz WDIYOFJRXNXWPJ-OAHLLOKOSA-N 2 1 325.478 1.544 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638567109 451579584 /nfs/dbraw/zinc/57/95/84/451579584.db2.gz WDIYOFJRXNXWPJ-OAHLLOKOSA-N 2 1 325.478 1.544 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000634998321 451641238 /nfs/dbraw/zinc/64/12/38/451641238.db2.gz DEOJBOWCFILPCR-TZMCWYRMSA-N 2 1 328.416 1.875 20 0 EDADMP O=c1c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cccn1C(F)F ZINC000638669995 451642454 /nfs/dbraw/zinc/64/24/54/451642454.db2.gz YXGSMIKQWNXVJG-CYBMUJFWSA-N 2 1 341.402 1.834 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000632905695 451643710 /nfs/dbraw/zinc/64/37/10/451643710.db2.gz YSWOGUXBJACORU-GDBMZVCRSA-N 2 1 332.448 1.515 20 0 EDADMP O=C1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CCCN1 ZINC000638686424 451653327 /nfs/dbraw/zinc/65/33/27/451653327.db2.gz LMQSLTYCYDOQIU-KSZLIROESA-N 2 1 331.460 1.128 20 0 EDADMP O=C1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CCCN1 ZINC000638686424 451653332 /nfs/dbraw/zinc/65/33/32/451653332.db2.gz LMQSLTYCYDOQIU-KSZLIROESA-N 2 1 331.460 1.128 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638800640 451694825 /nfs/dbraw/zinc/69/48/25/451694825.db2.gz OBJCKFHJBAWNHR-ICSRJNTNSA-N 2 1 345.487 1.783 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N2CCCCC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000638820611 451701090 /nfs/dbraw/zinc/70/10/90/451701090.db2.gz XKEHZUFZZNOWPQ-RTBURBONSA-N 2 1 344.503 1.705 20 0 EDADMP CCCCc1nc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)no1 ZINC000640994090 451724186 /nfs/dbraw/zinc/72/41/86/451724186.db2.gz OJYHMVUYRRAMQW-UHFFFAOYSA-N 2 1 333.440 1.018 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2F)CC1 ZINC000638914021 451734217 /nfs/dbraw/zinc/73/42/17/451734217.db2.gz IEQSUTSKFOKBRR-GJZGRUSLSA-N 2 1 332.423 1.154 20 0 EDADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000636497098 451737929 /nfs/dbraw/zinc/73/79/29/451737929.db2.gz IQZFBKUYHKFVJS-GOSISDBHSA-N 2 1 348.491 1.394 20 0 EDADMP C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000639144498 451776541 /nfs/dbraw/zinc/77/65/41/451776541.db2.gz ZUGOOWRSWVNJAB-OWCLPIDISA-N 2 1 339.505 1.816 20 0 EDADMP C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000639144498 451776542 /nfs/dbraw/zinc/77/65/42/451776542.db2.gz ZUGOOWRSWVNJAB-OWCLPIDISA-N 2 1 339.505 1.816 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N[C@@H]2Cc3cncn3C2)CC[N@H+]1Cc1ccccc1 ZINC000637150641 451741564 /nfs/dbraw/zinc/74/15/64/451741564.db2.gz PVMRDBGSFQLMIW-KYJSFNMBSA-N 2 1 339.443 1.770 20 0 EDADMP C[C@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)[C@H]1CCC[NH2+]C1 ZINC000638987684 451747941 /nfs/dbraw/zinc/74/79/41/451747941.db2.gz WIYKVOUZDPZRDC-CABCVRRESA-N 2 1 331.464 1.456 20 0 EDADMP COc1cc(C)nc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000641154976 451763927 /nfs/dbraw/zinc/76/39/27/451763927.db2.gz MRJGMIDCEDPDDV-UHFFFAOYSA-N 2 1 330.436 1.004 20 0 EDADMP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000641168524 451768039 /nfs/dbraw/zinc/76/80/39/451768039.db2.gz YJCXUIXCPJFXRY-SFHVURJKSA-N 2 1 344.459 1.296 20 0 EDADMP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(=O)NCCc1ccccc1 ZINC000639248980 451798608 /nfs/dbraw/zinc/79/86/08/451798608.db2.gz QSXRWYFUCXELEC-MRXNPFEDSA-N 2 1 347.503 1.559 20 0 EDADMP COCC[N@H+](C)CC[C@@H]([NH2+]CC1(O)CCOCC1)c1ccccc1 ZINC000644546224 451854269 /nfs/dbraw/zinc/85/42/69/451854269.db2.gz BBBVLQBIFRLEMS-GOSISDBHSA-N 2 1 336.476 1.827 20 0 EDADMP COCC[N@@H+](C)CC[C@@H]([NH2+]CC1(O)CCOCC1)c1ccccc1 ZINC000644546224 451854277 /nfs/dbraw/zinc/85/42/77/451854277.db2.gz BBBVLQBIFRLEMS-GOSISDBHSA-N 2 1 336.476 1.827 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCO1 ZINC000646839373 451877803 /nfs/dbraw/zinc/87/78/03/451877803.db2.gz BCMIEJOOMVBNTP-IAOVAPTHSA-N 2 1 335.423 1.365 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCO1 ZINC000646839373 451877809 /nfs/dbraw/zinc/87/78/09/451877809.db2.gz BCMIEJOOMVBNTP-IAOVAPTHSA-N 2 1 335.423 1.365 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000644607353 451892126 /nfs/dbraw/zinc/89/21/26/451892126.db2.gz ILXROGOTEMYXFS-MOPGFXCFSA-N 2 1 340.471 1.743 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000644607353 451892129 /nfs/dbraw/zinc/89/21/29/451892129.db2.gz ILXROGOTEMYXFS-MOPGFXCFSA-N 2 1 340.471 1.743 20 0 EDADMP O=C([C@H]1CCc2cncn2C1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000649209203 451905717 /nfs/dbraw/zinc/90/57/17/451905717.db2.gz GVZFAFJJJWSECD-DOTOQJQBSA-N 2 1 332.448 1.159 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc[nH]c1=O ZINC000637522590 451922835 /nfs/dbraw/zinc/92/28/35/451922835.db2.gz GVUDZGNUMPKDQK-MRXNPFEDSA-N 2 1 349.479 1.345 20 0 EDADMP [NH3+][C@H](CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000649279244 451951312 /nfs/dbraw/zinc/95/13/12/451951312.db2.gz AFVIQYJBDMYMME-ROUUACIJSA-N 2 1 331.460 1.270 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)[N@@H+]1CCc2sccc2C1 ZINC000649299333 451976967 /nfs/dbraw/zinc/97/69/67/451976967.db2.gz LBCQMAFAAOYYRK-DGCLKSJQSA-N 2 1 343.443 1.856 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)[N@H+]1CCc2sccc2C1 ZINC000649299333 451976969 /nfs/dbraw/zinc/97/69/69/451976969.db2.gz LBCQMAFAAOYYRK-DGCLKSJQSA-N 2 1 343.443 1.856 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649305513 451981364 /nfs/dbraw/zinc/98/13/64/451981364.db2.gz UXPHFUJELATORD-ROUUACIJSA-N 2 1 331.460 1.251 20 0 EDADMP COCC[N@H+](C)C[C@@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653492965 451981722 /nfs/dbraw/zinc/98/17/22/451981722.db2.gz FLNUKVMOORFZDE-LJQANCHMSA-N 2 1 341.540 1.514 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653492965 451981728 /nfs/dbraw/zinc/98/17/28/451981728.db2.gz FLNUKVMOORFZDE-LJQANCHMSA-N 2 1 341.540 1.514 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CCC(C)(C)[NH3+])cc2)CC1 ZINC000649308470 451984449 /nfs/dbraw/zinc/98/44/49/451984449.db2.gz ILWKNXCBQIFFSL-UHFFFAOYSA-N 2 1 346.475 1.920 20 0 EDADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[NH2+]CCOC1 ZINC000649312925 451991578 /nfs/dbraw/zinc/99/15/78/451991578.db2.gz LHRUSBBJDDDDEZ-OAHLLOKOSA-N 2 1 335.473 1.410 20 0 EDADMP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)nnn1C(C)C ZINC000644795749 451993682 /nfs/dbraw/zinc/99/36/82/451993682.db2.gz DSQVWVIZGFBHJA-CQSZACIVSA-N 2 1 334.468 1.066 20 0 EDADMP Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)nnn1C(C)C ZINC000644795749 451993687 /nfs/dbraw/zinc/99/36/87/451993687.db2.gz DSQVWVIZGFBHJA-CQSZACIVSA-N 2 1 334.468 1.066 20 0 EDADMP CCOC[C@H](O)C[NH+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000649327528 452008593 /nfs/dbraw/zinc/00/85/93/452008593.db2.gz ZTRCJZMQKYRAGW-MSOLQXFVSA-N 2 1 349.475 1.008 20 0 EDADMP O[C@H](COC1CCOCC1)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681950 452020811 /nfs/dbraw/zinc/02/08/11/452020811.db2.gz AZNFAAQJGHPIMX-KRWDZBQOSA-N 2 1 335.448 1.150 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649342657 452022861 /nfs/dbraw/zinc/02/28/61/452022861.db2.gz HDOMSPGECIZNNJ-JKSUJKDBSA-N 2 1 337.414 1.964 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COC1(C)C[NH2+]C1 ZINC000649345392 452025733 /nfs/dbraw/zinc/02/57/33/452025733.db2.gz YXNHHZDPJFOCCP-GOSISDBHSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@]3(N)CC[NH+](C)C3)cc2)C1 ZINC000649345709 452025911 /nfs/dbraw/zinc/02/59/11/452025911.db2.gz LSBROGBIBFNFSJ-DNVCBOLYSA-N 2 1 346.475 1.379 20 0 EDADMP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)[C@@]3(N)CC[N@H+](C)C3)cc2)C1 ZINC000649345709 452025916 /nfs/dbraw/zinc/02/59/16/452025916.db2.gz LSBROGBIBFNFSJ-DNVCBOLYSA-N 2 1 346.475 1.379 20 0 EDADMP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)[C@@]3(N)CC[N@@H+](C)C3)cc2)C1 ZINC000649345709 452025921 /nfs/dbraw/zinc/02/59/21/452025921.db2.gz LSBROGBIBFNFSJ-DNVCBOLYSA-N 2 1 346.475 1.379 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000644858423 452031574 /nfs/dbraw/zinc/03/15/74/452031574.db2.gz KEIAEQOPJVWMII-WBVHZDCISA-N 2 1 342.443 1.457 20 0 EDADMP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000649351107 452036243 /nfs/dbraw/zinc/03/62/43/452036243.db2.gz OOCQVNVRRAZUPP-AEFFLSMTSA-N 2 1 330.476 1.300 20 0 EDADMP CC[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[C@H]1[NH3+] ZINC000649358725 452040302 /nfs/dbraw/zinc/04/03/02/452040302.db2.gz ANJUEASMZLNMFI-IEBWSBKVSA-N 2 1 344.503 1.633 20 0 EDADMP CCC[C@@H]1CN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC[N@H+]1CCOC ZINC000649379028 452052281 /nfs/dbraw/zinc/05/22/81/452052281.db2.gz CDKQFYBZPFGYTG-ZACQAIPSSA-N 2 1 325.497 1.853 20 0 EDADMP [NH3+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000637797522 452087689 /nfs/dbraw/zinc/08/76/89/452087689.db2.gz OTKLFUSKSVUPHZ-GGPKGHCWSA-N 2 1 343.471 1.475 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000637797554 452087790 /nfs/dbraw/zinc/08/77/90/452087790.db2.gz ASQCENHGLGORCQ-PKOBYXMFSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000637802078 452090847 /nfs/dbraw/zinc/09/08/47/452090847.db2.gz OZMZHJQABZODQA-WSTZPKSXSA-N 2 1 343.471 1.345 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000637808227 452094036 /nfs/dbraw/zinc/09/40/36/452094036.db2.gz AEPUQLJOZXDLNS-QGZVFWFLSA-N 2 1 326.444 1.804 20 0 EDADMP C[C@@H]1CC[C@H](O)C[NH+]1Cc1cncc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c1 ZINC000643254790 452099237 /nfs/dbraw/zinc/09/92/37/452099237.db2.gz FQCMCHQYASUMGU-LTDCPUDJSA-N 2 1 333.476 1.772 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000639764518 452105866 /nfs/dbraw/zinc/10/58/66/452105866.db2.gz GHVQTXSFWDYPQU-ZBFHGGJFSA-N 2 1 328.478 1.014 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000639764518 452105873 /nfs/dbraw/zinc/10/58/73/452105873.db2.gz GHVQTXSFWDYPQU-ZBFHGGJFSA-N 2 1 328.478 1.014 20 0 EDADMP COc1ncncc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000647180620 452110921 /nfs/dbraw/zinc/11/09/21/452110921.db2.gz LHVBCCFCQCVNSN-UHFFFAOYSA-N 2 1 342.443 1.732 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643294139 452120813 /nfs/dbraw/zinc/12/08/13/452120813.db2.gz GJZCLRQQTAICQZ-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643294139 452120817 /nfs/dbraw/zinc/12/08/17/452120817.db2.gz GJZCLRQQTAICQZ-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000643299876 452123138 /nfs/dbraw/zinc/12/31/38/452123138.db2.gz GPMMSJDWWLJXMN-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647217124 452130255 /nfs/dbraw/zinc/13/02/55/452130255.db2.gz AAUBVLKTXUHGKA-LBPRGKRZSA-N 2 1 329.441 1.295 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CCCCC1 ZINC000637881888 452134372 /nfs/dbraw/zinc/13/43/72/452134372.db2.gz RXCYWQSPTAZJCN-SFHVURJKSA-N 2 1 346.519 1.826 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000637881888 452134376 /nfs/dbraw/zinc/13/43/76/452134376.db2.gz RXCYWQSPTAZJCN-SFHVURJKSA-N 2 1 346.519 1.826 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC3(CC2)C(F)(F)C3(F)F)CC1 ZINC000649709441 452207341 /nfs/dbraw/zinc/20/73/41/452207341.db2.gz MLZLXHVGYHWOJG-UHFFFAOYSA-N 2 1 337.361 1.517 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(c3ccc(F)cn3)CC2)CC1 ZINC000639873841 452211604 /nfs/dbraw/zinc/21/16/04/452211604.db2.gz FFFKAQUWTOHRDN-UHFFFAOYSA-N 2 1 334.439 1.564 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCC[C@H]3[NH3+])c2)C1 ZINC000643462708 452234549 /nfs/dbraw/zinc/23/45/49/452234549.db2.gz HOQXNVVIZPJIIB-KURKYZTESA-N 2 1 330.476 1.353 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])c2)C1 ZINC000643462708 452234555 /nfs/dbraw/zinc/23/45/55/452234555.db2.gz HOQXNVVIZPJIIB-KURKYZTESA-N 3 1 330.476 1.353 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])c2)C1 ZINC000643462708 452234558 /nfs/dbraw/zinc/23/45/58/452234558.db2.gz HOQXNVVIZPJIIB-KURKYZTESA-N 3 1 330.476 1.353 20 0 EDADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647492704 452235171 /nfs/dbraw/zinc/23/51/71/452235171.db2.gz UMPJGPPUAVIQPI-UHFFFAOYSA-N 2 1 328.464 1.221 20 0 EDADMP CCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nc1 ZINC000647509503 452246738 /nfs/dbraw/zinc/24/67/38/452246738.db2.gz HCTNZSWSRCSWQX-QAPCUYQASA-N 2 1 346.475 1.561 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641782792 452252044 /nfs/dbraw/zinc/25/20/44/452252044.db2.gz MEXOTTQHDGRHKD-UHFFFAOYSA-N 2 1 348.491 1.863 20 0 EDADMP C[C@@H](O)C[C@@H](C)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638014862 452257300 /nfs/dbraw/zinc/25/73/00/452257300.db2.gz GNXDVBWFKZTWKC-IAGOWNOFSA-N 2 1 347.503 1.893 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC2CC1(C[NH3+])C2)[NH+]1CCOCC1 ZINC000659432048 452277154 /nfs/dbraw/zinc/27/71/54/452277154.db2.gz VXUUMIBWNRNQOH-HQVVEAJESA-N 2 1 338.496 1.256 20 0 EDADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000641802728 452278222 /nfs/dbraw/zinc/27/82/22/452278222.db2.gz BGWWVXNSLNWYGK-AFAVFJNCSA-N 2 1 328.460 1.931 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659433214 452278659 /nfs/dbraw/zinc/27/86/59/452278659.db2.gz ICPLCSQDVUXXCD-INIZCTEOSA-N 2 1 347.507 1.231 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000641805935 452285296 /nfs/dbraw/zinc/28/52/96/452285296.db2.gz PBNGAGLBHLVKSC-NEPJUHHUSA-N 2 1 327.331 1.662 20 0 EDADMP COc1ccc(CCNC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1OC ZINC000641808179 452288842 /nfs/dbraw/zinc/28/88/42/452288842.db2.gz XJQUCSPSBYNTNC-HOTGVXAUSA-N 2 1 335.448 1.078 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659441936 452290207 /nfs/dbraw/zinc/29/02/07/452290207.db2.gz XCGSCWJJXPMMII-GVDBMIGSSA-N 2 1 334.439 1.665 20 0 EDADMP CC[NH+]1CCCN(c2ncnc(N3CCC[N@H+](CC)CC3)c2C)CC1 ZINC000663578562 452302012 /nfs/dbraw/zinc/30/20/12/452302012.db2.gz GEASJTYCVBLZRN-UHFFFAOYSA-N 2 1 346.523 1.849 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)CO[C@@H](C)COC)CC1 ZINC000639985891 452317688 /nfs/dbraw/zinc/31/76/88/452317688.db2.gz DYHCENVKYOGZIA-IRXDYDNUSA-N 2 1 328.497 1.739 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000638050470 452318810 /nfs/dbraw/zinc/31/88/10/452318810.db2.gz OMXJYOSZXBOTNF-IBGZPJMESA-N 2 1 346.519 1.828 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000638050470 452318821 /nfs/dbraw/zinc/31/88/21/452318821.db2.gz OMXJYOSZXBOTNF-IBGZPJMESA-N 2 1 346.519 1.828 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000665758989 452328158 /nfs/dbraw/zinc/32/81/58/452328158.db2.gz WFQUQLOBKQVYGX-SOUVJXGZSA-N 2 1 330.542 1.794 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000665758989 452328168 /nfs/dbraw/zinc/32/81/68/452328168.db2.gz WFQUQLOBKQVYGX-SOUVJXGZSA-N 2 1 330.542 1.794 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000665762330 452338681 /nfs/dbraw/zinc/33/86/81/452338681.db2.gz AUWRVJRQULFLOZ-OFQRWUPVSA-N 2 1 346.466 1.945 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000665762330 452338692 /nfs/dbraw/zinc/33/86/92/452338692.db2.gz AUWRVJRQULFLOZ-OFQRWUPVSA-N 2 1 346.466 1.945 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC2(C1)CCCOC2 ZINC000665762889 452340568 /nfs/dbraw/zinc/34/05/68/452340568.db2.gz STVBZCLKRSBOAT-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC2(C1)CCCOC2 ZINC000665762889 452340581 /nfs/dbraw/zinc/34/05/81/452340581.db2.gz STVBZCLKRSBOAT-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1)[NH+]1CCOCC1 ZINC000638058927 452348510 /nfs/dbraw/zinc/34/85/10/452348510.db2.gz CTNHDSSOHCJLHS-SOLBZPMBSA-N 2 1 341.496 1.007 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000638067599 452370042 /nfs/dbraw/zinc/37/00/42/452370042.db2.gz FPAMEZPCCFKOJX-AOIWGVFYSA-N 2 1 346.519 1.682 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638067599 452370046 /nfs/dbraw/zinc/37/00/46/452370046.db2.gz FPAMEZPCCFKOJX-AOIWGVFYSA-N 2 1 346.519 1.682 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000638067599 452370083 /nfs/dbraw/zinc/37/00/83/452370083.db2.gz FPAMEZPCCFKOJX-AOIWGVFYSA-N 2 1 346.519 1.682 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638068508 452373519 /nfs/dbraw/zinc/37/35/19/452373519.db2.gz YDCUIHRLAOYNHS-SJLPKXTDSA-N 2 1 325.497 1.724 20 0 EDADMP [NH3+]C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCOC1 ZINC000638071106 452376730 /nfs/dbraw/zinc/37/67/30/452376730.db2.gz FFLYSWQCOLVFTO-IEBWSBKVSA-N 2 1 331.460 1.523 20 0 EDADMP C[NH2+]CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659513696 452378865 /nfs/dbraw/zinc/37/88/65/452378865.db2.gz YHEHYISXERQCLJ-QGZVFWFLSA-N 2 1 330.476 1.807 20 0 EDADMP COC[C@@]1(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC[NH2+]1 ZINC000638077411 452389111 /nfs/dbraw/zinc/38/91/11/452389111.db2.gz SBLZLZSZXGDJPE-SOLBZPMBSA-N 2 1 341.496 1.151 20 0 EDADMP C[C@@H](CC[NH+](C)C[C@@H]1COCCO1)CC[N@@H+](C)C[C@H]1COCCO1 ZINC000661613177 452432625 /nfs/dbraw/zinc/43/26/25/452432625.db2.gz GZQONGRLFQCBCD-BCDXTJNWSA-N 2 1 344.496 1.097 20 0 EDADMP C[C@H](CC[NH+](C)C[C@H]1COCCO1)CC[N@H+](C)C[C@@H]1COCCO1 ZINC000661613177 452432631 /nfs/dbraw/zinc/43/26/31/452432631.db2.gz GZQONGRLFQCBCD-BCDXTJNWSA-N 2 1 344.496 1.097 20 0 EDADMP C[C@H](CC[NH+](C)C[C@H]1COCCO1)CC[N@@H+](C)C[C@@H]1COCCO1 ZINC000661613177 452432639 /nfs/dbraw/zinc/43/26/39/452432639.db2.gz GZQONGRLFQCBCD-BCDXTJNWSA-N 2 1 344.496 1.097 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659609626 452465776 /nfs/dbraw/zinc/46/57/76/452465776.db2.gz KNHRYVUCXVRENK-BZUAXINKSA-N 2 1 336.480 1.023 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654435611 452495691 /nfs/dbraw/zinc/49/56/91/452495691.db2.gz XJQJVMQAHKJAMR-WCVJEAGWSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654435611 452495698 /nfs/dbraw/zinc/49/56/98/452495698.db2.gz XJQJVMQAHKJAMR-WCVJEAGWSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654435611 452495706 /nfs/dbraw/zinc/49/57/06/452495706.db2.gz XJQJVMQAHKJAMR-WCVJEAGWSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654435611 452495715 /nfs/dbraw/zinc/49/57/15/452495715.db2.gz XJQJVMQAHKJAMR-WCVJEAGWSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](C(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1)[NH+]1CCSCC1 ZINC000647764097 452497872 /nfs/dbraw/zinc/49/78/72/452497872.db2.gz QOFINQYSMNTAPZ-LSDHHAIUSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@H](C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1)[NH+]1CCSCC1 ZINC000647764097 452497881 /nfs/dbraw/zinc/49/78/81/452497881.db2.gz QOFINQYSMNTAPZ-LSDHHAIUSA-N 2 1 341.521 1.135 20 0 EDADMP O=S(=O)(NC1CC1)c1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000652335457 452503738 /nfs/dbraw/zinc/50/37/38/452503738.db2.gz JMBYEQUXUMGRDQ-UHFFFAOYSA-N 2 1 349.500 1.844 20 0 EDADMP O=S(=O)(NC1CC1)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000652335457 452503749 /nfs/dbraw/zinc/50/37/49/452503749.db2.gz JMBYEQUXUMGRDQ-UHFFFAOYSA-N 2 1 349.500 1.844 20 0 EDADMP c1ncn(Cc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)n1 ZINC000655685612 452508975 /nfs/dbraw/zinc/50/89/75/452508975.db2.gz JHQQBWYNWVLYCR-IBGZPJMESA-N 2 1 341.459 1.669 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000652341043 452512657 /nfs/dbraw/zinc/51/26/57/452512657.db2.gz YFZZTYILNLCMHH-INIZCTEOSA-N 2 1 337.489 1.831 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000652341043 452512668 /nfs/dbraw/zinc/51/26/68/452512668.db2.gz YFZZTYILNLCMHH-INIZCTEOSA-N 2 1 337.489 1.831 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000647786183 452520739 /nfs/dbraw/zinc/52/07/39/452520739.db2.gz JXANWNZICYCDAJ-PCCBWWKXSA-N 3 1 342.531 1.912 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655703497 452524040 /nfs/dbraw/zinc/52/40/40/452524040.db2.gz HJPNIMURERYNBB-LJQANCHMSA-N 2 1 347.503 1.970 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)NCc2ccccc2F)C1 ZINC000652361270 452541910 /nfs/dbraw/zinc/54/19/10/452541910.db2.gz BKOLWOMGYCSZEO-NXHRZFHOSA-N 2 1 349.450 1.803 20 0 EDADMP Cn1cc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)on2)cn1 ZINC000652364038 452543748 /nfs/dbraw/zinc/54/37/48/452543748.db2.gz VWMSCAWNPMFBKR-OLMNPRSZSA-N 2 1 345.447 1.936 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2nnc3n2CCCCC3)C1 ZINC000652363676 452543836 /nfs/dbraw/zinc/54/38/36/452543836.db2.gz KVPUFDAPCMZTFK-OAGGEKHMSA-N 2 1 333.480 1.865 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2nnc3n2CCCCC3)C1 ZINC000652363676 452543844 /nfs/dbraw/zinc/54/38/44/452543844.db2.gz KVPUFDAPCMZTFK-OAGGEKHMSA-N 2 1 333.480 1.865 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC2CC[NH+](C[C@H]3CCCO3)CC2)CCCO1 ZINC000655760009 452561737 /nfs/dbraw/zinc/56/17/37/452561737.db2.gz UVNSJPUZLKTFTE-IEBWSBKVSA-N 3 1 339.524 1.720 20 0 EDADMP C[C@H](CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000659690703 452569224 /nfs/dbraw/zinc/56/92/24/452569224.db2.gz SDZITJZIONIWIM-OAHLLOKOSA-N 2 1 348.491 1.209 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Cc1cccc(F)c1 ZINC000655771204 452569791 /nfs/dbraw/zinc/56/97/91/452569791.db2.gz COYGWNLQTCINQY-RTBURBONSA-N 2 1 336.451 1.962 20 0 EDADMP C[N@H+](CCC(=O)NCc1ccccc1Cl)CCN1CC[NH2+]CC1 ZINC000647835084 452570768 /nfs/dbraw/zinc/57/07/68/452570768.db2.gz MAKPZLILMMRNKT-UHFFFAOYSA-N 2 1 338.883 1.183 20 0 EDADMP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834916 452570887 /nfs/dbraw/zinc/57/08/87/452570887.db2.gz FBTRQUHALXGQIW-INIZCTEOSA-N 2 1 330.476 1.191 20 0 EDADMP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834916 452570891 /nfs/dbraw/zinc/57/08/91/452570891.db2.gz FBTRQUHALXGQIW-INIZCTEOSA-N 2 1 330.476 1.191 20 0 EDADMP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655781094 452574895 /nfs/dbraw/zinc/57/48/95/452574895.db2.gz SQACUMKYRMZICL-AEFFLSMTSA-N 2 1 345.487 1.996 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654528595 452609832 /nfs/dbraw/zinc/60/98/32/452609832.db2.gz XOFVLLBVPXBVCY-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP C[C@@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655907418 452664580 /nfs/dbraw/zinc/66/45/80/452664580.db2.gz IQUPOEGNYVUTIA-SOUVJXGZSA-N 2 1 346.475 1.952 20 0 EDADMP C[C@@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655907418 452664584 /nfs/dbraw/zinc/66/45/84/452664584.db2.gz IQUPOEGNYVUTIA-SOUVJXGZSA-N 2 1 346.475 1.952 20 0 EDADMP [NH3+]C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655909812 452666119 /nfs/dbraw/zinc/66/61/19/452666119.db2.gz GNYXKSBTXHWYIM-STQMWFEESA-N 2 1 330.354 1.450 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000647941263 452685529 /nfs/dbraw/zinc/68/55/29/452685529.db2.gz ALONXMPKNMEETO-OAHLLOKOSA-N 2 1 325.420 1.811 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000647941263 452685534 /nfs/dbraw/zinc/68/55/34/452685534.db2.gz ALONXMPKNMEETO-OAHLLOKOSA-N 2 1 325.420 1.811 20 0 EDADMP C[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000664001821 452701027 /nfs/dbraw/zinc/70/10/27/452701027.db2.gz APEOKLLHSRUOIH-SFHVURJKSA-N 2 1 330.476 1.902 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000661951467 452711946 /nfs/dbraw/zinc/71/19/46/452711946.db2.gz ORNQQVFYGXIGOU-OAHLLOKOSA-N 2 1 347.463 1.406 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCCOc1ccccc1 ZINC000647975638 452720002 /nfs/dbraw/zinc/72/00/02/452720002.db2.gz DACVLZMKFXPELE-ROUUACIJSA-N 2 1 345.487 1.893 20 0 EDADMP O=c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc2ccccn12 ZINC000647975681 452721098 /nfs/dbraw/zinc/72/10/98/452721098.db2.gz DMXYYDJPJSUEHC-CVEARBPZSA-N 2 1 326.444 1.906 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655958516 452739874 /nfs/dbraw/zinc/73/98/74/452739874.db2.gz LXQGPQFEKYYGHN-JQFCIGGWSA-N 2 1 344.459 1.778 20 0 EDADMP CC(C)[N@@H+]1CCCN(C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654649971 452745110 /nfs/dbraw/zinc/74/51/10/452745110.db2.gz RKOOSSPQWHJFAQ-YESZJQIVSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654649971 452745117 /nfs/dbraw/zinc/74/51/17/452745117.db2.gz RKOOSSPQWHJFAQ-YESZJQIVSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654649971 452745124 /nfs/dbraw/zinc/74/51/24/452745124.db2.gz RKOOSSPQWHJFAQ-YESZJQIVSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654649971 452745132 /nfs/dbraw/zinc/74/51/32/452745132.db2.gz RKOOSSPQWHJFAQ-YESZJQIVSA-N 2 1 340.512 1.610 20 0 EDADMP CCCN(C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000655969936 452750484 /nfs/dbraw/zinc/75/04/84/452750484.db2.gz DOUZXCVOBLXDGJ-HRCADAONSA-N 2 1 340.512 1.658 20 0 EDADMP CCCN(C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000655969936 452750491 /nfs/dbraw/zinc/75/04/91/452750491.db2.gz DOUZXCVOBLXDGJ-HRCADAONSA-N 2 1 340.512 1.658 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000654660679 452775122 /nfs/dbraw/zinc/77/51/22/452775122.db2.gz BODDKWOODUQVGX-LMSBXDPUSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H]1CC2(C[N@@H+]1Cc1cnc(N3CC[NH+](C)CC3)nc1)CCOCC2 ZINC000648070728 452799436 /nfs/dbraw/zinc/79/94/36/452799436.db2.gz HPCPZSQJLHLKER-INIZCTEOSA-N 2 1 345.491 1.619 20 0 EDADMP C[C@H]1CC2(C[N@H+]1Cc1cnc(N3CC[NH+](C)CC3)nc1)CCOCC2 ZINC000648070728 452799442 /nfs/dbraw/zinc/79/94/42/452799442.db2.gz HPCPZSQJLHLKER-INIZCTEOSA-N 2 1 345.491 1.619 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)CC[N@H+]1C ZINC000648118984 452834706 /nfs/dbraw/zinc/83/47/06/452834706.db2.gz CNBDDKXCVJTNBD-KFWWJZLASA-N 2 1 348.516 1.954 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[C@H]3C[NH3+])CC2)cn1 ZINC000648152983 452864528 /nfs/dbraw/zinc/86/45/28/452864528.db2.gz UWIPYEBMEUPGTK-IRXDYDNUSA-N 2 1 333.480 1.312 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[C@H]3C[NH3+])CC2)cn1 ZINC000648152983 452864538 /nfs/dbraw/zinc/86/45/38/452864538.db2.gz UWIPYEBMEUPGTK-IRXDYDNUSA-N 2 1 333.480 1.312 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648159971 452869291 /nfs/dbraw/zinc/86/92/91/452869291.db2.gz FNUQKUAGCPORKX-CYBMUJFWSA-N 2 1 333.423 1.048 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)COC2(C)C[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000648162101 452872340 /nfs/dbraw/zinc/87/23/40/452872340.db2.gz JZRYLLNOVWTEJN-GDBMZVCRSA-N 2 1 337.851 1.580 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)COC2(C)C[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000648162101 452872344 /nfs/dbraw/zinc/87/23/44/452872344.db2.gz JZRYLLNOVWTEJN-GDBMZVCRSA-N 2 1 337.851 1.580 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@@H]1C ZINC000659983495 452890330 /nfs/dbraw/zinc/89/03/30/452890330.db2.gz NZQQMHGNVYKUDT-GOEBONIOSA-N 2 1 339.505 1.899 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@@H]1C ZINC000659983495 452890351 /nfs/dbraw/zinc/89/03/51/452890351.db2.gz NZQQMHGNVYKUDT-GOEBONIOSA-N 2 1 339.505 1.899 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@@H]1C ZINC000659983495 452890356 /nfs/dbraw/zinc/89/03/56/452890356.db2.gz NZQQMHGNVYKUDT-GOEBONIOSA-N 2 1 339.505 1.899 20 0 EDADMP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000648277197 452966446 /nfs/dbraw/zinc/96/64/46/452966446.db2.gz QEOIALULVWDCQC-SJORKVTESA-N 2 1 325.416 1.966 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000648277197 452966451 /nfs/dbraw/zinc/96/64/51/452966451.db2.gz QEOIALULVWDCQC-SJORKVTESA-N 2 1 325.416 1.966 20 0 EDADMP CC[NH+](CC)CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000652813903 452972588 /nfs/dbraw/zinc/97/25/88/452972588.db2.gz NGUYTBAYRVDZMZ-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@@H+](CC(=O)Nc1c(F)cccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249387 452975072 /nfs/dbraw/zinc/97/50/72/452975072.db2.gz LWAZOZCONXOJSV-GFCCVEGCSA-N 2 1 339.386 1.746 20 0 EDADMP CC[N@H+](CC(=O)Nc1c(F)cccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249387 452975079 /nfs/dbraw/zinc/97/50/79/452975079.db2.gz LWAZOZCONXOJSV-GFCCVEGCSA-N 2 1 339.386 1.746 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000660073476 452989420 /nfs/dbraw/zinc/98/94/20/452989420.db2.gz GBXKVLRUSURYGP-IBGZPJMESA-N 2 1 347.503 1.924 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000660073476 452989429 /nfs/dbraw/zinc/98/94/29/452989429.db2.gz GBXKVLRUSURYGP-IBGZPJMESA-N 2 1 347.503 1.924 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000660073476 452989431 /nfs/dbraw/zinc/98/94/31/452989431.db2.gz GBXKVLRUSURYGP-IBGZPJMESA-N 2 1 347.503 1.924 20 0 EDADMP CCOc1ncccc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664314128 452990408 /nfs/dbraw/zinc/99/04/08/452990408.db2.gz GSQLPYNXTLXPGR-AWEZNQCLSA-N 2 1 337.468 1.874 20 0 EDADMP CCOc1ncccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664314128 452990414 /nfs/dbraw/zinc/99/04/14/452990414.db2.gz GSQLPYNXTLXPGR-AWEZNQCLSA-N 2 1 337.468 1.874 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000662265086 452995880 /nfs/dbraw/zinc/99/58/80/452995880.db2.gz UOVKYBFQMIRNCJ-LJQANCHMSA-N 2 1 328.504 1.544 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000662265086 452995892 /nfs/dbraw/zinc/99/58/92/452995892.db2.gz UOVKYBFQMIRNCJ-LJQANCHMSA-N 3 1 328.504 1.544 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000662265086 452995897 /nfs/dbraw/zinc/99/58/97/452995897.db2.gz UOVKYBFQMIRNCJ-LJQANCHMSA-N 3 1 328.504 1.544 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(S(=O)(=O)NC)cc2)[C@@H](C)C1 ZINC000660084509 453000327 /nfs/dbraw/zinc/00/03/27/453000327.db2.gz ZTYFDWDHTQKOJP-YOEHRIQHSA-N 2 1 339.505 1.757 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)[C@@H](C)C1 ZINC000660084509 453000338 /nfs/dbraw/zinc/00/03/38/453000338.db2.gz ZTYFDWDHTQKOJP-YOEHRIQHSA-N 2 1 339.505 1.757 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)[C@@H](C)C1 ZINC000660084509 453000348 /nfs/dbraw/zinc/00/03/48/453000348.db2.gz ZTYFDWDHTQKOJP-YOEHRIQHSA-N 2 1 339.505 1.757 20 0 EDADMP COc1ccc(-c2cc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)on2)cc1 ZINC000662275629 453001500 /nfs/dbraw/zinc/00/15/00/453001500.db2.gz FUSIRRROANVNRR-INIZCTEOSA-N 2 1 342.443 1.830 20 0 EDADMP CC(C)(C)n1nnc(CC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000662287071 453012198 /nfs/dbraw/zinc/01/21/98/453012198.db2.gz VIPWLADIXNHHAX-ZNMIVQPWSA-N 2 1 336.484 1.189 20 0 EDADMP C[C@H]1CN(CCO)CCN1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666660459 453044855 /nfs/dbraw/zinc/04/48/55/453044855.db2.gz NXUMYVIZFVPXRN-JKSUJKDBSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000666660459 453044872 /nfs/dbraw/zinc/04/48/72/453044872.db2.gz NXUMYVIZFVPXRN-JKSUJKDBSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000666660459 453044881 /nfs/dbraw/zinc/04/48/81/453044881.db2.gz NXUMYVIZFVPXRN-JKSUJKDBSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666660459 453044894 /nfs/dbraw/zinc/04/48/94/453044894.db2.gz NXUMYVIZFVPXRN-JKSUJKDBSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666660459 453044903 /nfs/dbraw/zinc/04/49/03/453044903.db2.gz NXUMYVIZFVPXRN-JKSUJKDBSA-N 2 1 338.496 1.101 20 0 EDADMP COC[C@H](C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)OC ZINC000662327554 453046750 /nfs/dbraw/zinc/04/67/50/453046750.db2.gz RTIUECTVFPCVJP-INIZCTEOSA-N 2 1 336.480 1.718 20 0 EDADMP C[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662401668 453111928 /nfs/dbraw/zinc/11/19/28/453111928.db2.gz ZEEJHSBNTZGDQB-GXFFZTMASA-N 2 1 326.238 1.659 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662401668 453111933 /nfs/dbraw/zinc/11/19/33/453111933.db2.gz ZEEJHSBNTZGDQB-GXFFZTMASA-N 2 1 326.238 1.659 20 0 EDADMP O=C([C@H]1C[NH2+]CCC1(F)F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644165999 453096275 /nfs/dbraw/zinc/09/62/75/453096275.db2.gz VBTVQDPSXJGMHD-GVDBMIGSSA-N 2 1 349.425 1.964 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000664441227 453097780 /nfs/dbraw/zinc/09/77/80/453097780.db2.gz LQLVBTQVBHYHLR-MWDXBVQZSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000664441227 453097784 /nfs/dbraw/zinc/09/77/84/453097784.db2.gz LQLVBTQVBHYHLR-MWDXBVQZSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000662389144 453099139 /nfs/dbraw/zinc/09/91/39/453099139.db2.gz VTNMXGOFJSBGTF-ZIAGYGMSSA-N 2 1 334.468 1.053 20 0 EDADMP [NH3+]C[C@H]1CCCc2ccc(C(=O)NCC[NH+]3CCSCC3)cc21 ZINC000662457218 453165679 /nfs/dbraw/zinc/16/56/79/453165679.db2.gz FGWZISOTZCFRGR-MRXNPFEDSA-N 2 1 333.501 1.844 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1C(=O)CN(C)C1=O ZINC000660304765 453195765 /nfs/dbraw/zinc/19/57/65/453195765.db2.gz HEYWYAPWNJNMBC-RDJZCZTQSA-N 2 1 344.459 1.381 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1C(=O)CN(C)C1=O ZINC000660304765 453195776 /nfs/dbraw/zinc/19/57/76/453195776.db2.gz HEYWYAPWNJNMBC-RDJZCZTQSA-N 2 1 344.459 1.381 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000666906454 453228175 /nfs/dbraw/zinc/22/81/75/453228175.db2.gz DUKLFCYWPHNZOK-RDJZCZTQSA-N 2 1 346.475 1.762 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCC[NH2+]C2CC2)c1 ZINC000666939590 453262978 /nfs/dbraw/zinc/26/29/78/453262978.db2.gz RPKDKRVFULQJGT-INIZCTEOSA-N 2 1 345.447 1.010 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCC[NH2+]C2CC2)c1 ZINC000666939590 453262985 /nfs/dbraw/zinc/26/29/85/453262985.db2.gz RPKDKRVFULQJGT-INIZCTEOSA-N 2 1 345.447 1.010 20 0 EDADMP C[C@H](CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000664626840 453263135 /nfs/dbraw/zinc/26/31/35/453263135.db2.gz UMPNIELBCFWMRQ-CRAIPNDOSA-N 2 1 348.491 1.393 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC000648786952 453274197 /nfs/dbraw/zinc/27/41/97/453274197.db2.gz XFPBQRGXUFDOCL-BRWVUGGUSA-N 2 1 327.513 1.826 20 0 EDADMP CCCN(C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000666978735 453298777 /nfs/dbraw/zinc/29/87/77/453298777.db2.gz CROKPQOFJZUZMD-DLBZAZTESA-N 2 1 338.496 1.365 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1F ZINC000653112705 453300138 /nfs/dbraw/zinc/30/01/38/453300138.db2.gz HSBCKORKXQWGBK-KSSFIOAISA-N 2 1 344.390 1.172 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C[C@@H]1C[NH3+] ZINC000662574507 453300901 /nfs/dbraw/zinc/30/09/01/453300901.db2.gz NQNPWKFYXIGUCI-UHIISALHSA-N 2 1 340.265 1.892 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccc3CC[NH3+])C2)CC1 ZINC000653120655 453309932 /nfs/dbraw/zinc/30/99/32/453309932.db2.gz WQEPBLWZJNTRIP-MRXNPFEDSA-N 2 1 330.476 1.086 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccccc3CC[NH3+])C2)CC1 ZINC000653120655 453309940 /nfs/dbraw/zinc/30/99/40/453309940.db2.gz WQEPBLWZJNTRIP-MRXNPFEDSA-N 2 1 330.476 1.086 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653124899 453318449 /nfs/dbraw/zinc/31/84/49/453318449.db2.gz LQCZVQOSFSDWDJ-GOSISDBHSA-N 2 1 344.503 1.657 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CC[N@H+]1C ZINC000648842518 453323514 /nfs/dbraw/zinc/32/35/14/453323514.db2.gz AHEREHBHEQOJPQ-QXCFHYIPSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC[NH+]1C ZINC000648842518 453323520 /nfs/dbraw/zinc/32/35/20/453323520.db2.gz AHEREHBHEQOJPQ-QXCFHYIPSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC[NH+]1C ZINC000648842518 453323525 /nfs/dbraw/zinc/32/35/25/453323525.db2.gz AHEREHBHEQOJPQ-QXCFHYIPSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)CC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000653158198 453350637 /nfs/dbraw/zinc/35/06/37/453350637.db2.gz XIJJXWBTUQAQSC-QRQLOZEOSA-N 3 1 346.519 1.682 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000648899327 453379467 /nfs/dbraw/zinc/37/94/67/453379467.db2.gz HPQVPQDQHVFSTR-JYYAWHABSA-N 2 1 333.480 1.259 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC[NH+]1C ZINC000648899327 453379473 /nfs/dbraw/zinc/37/94/73/453379473.db2.gz HPQVPQDQHVFSTR-JYYAWHABSA-N 2 1 333.480 1.259 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC[NH+]1C ZINC000648899327 453379478 /nfs/dbraw/zinc/37/94/78/453379478.db2.gz HPQVPQDQHVFSTR-JYYAWHABSA-N 2 1 333.480 1.259 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000664758947 453383937 /nfs/dbraw/zinc/38/39/37/453383937.db2.gz QZLGJPJXYJDSOH-MRXNPFEDSA-N 2 1 342.528 1.907 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000664758947 453383941 /nfs/dbraw/zinc/38/39/41/453383941.db2.gz QZLGJPJXYJDSOH-MRXNPFEDSA-N 2 1 342.528 1.907 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000664758947 453383950 /nfs/dbraw/zinc/38/39/50/453383950.db2.gz QZLGJPJXYJDSOH-MRXNPFEDSA-N 2 1 342.528 1.907 20 0 EDADMP CC1(C)CC[NH2+][C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000662674451 453391176 /nfs/dbraw/zinc/39/11/76/453391176.db2.gz BUGXZSHSWAJYCL-KRWDZBQOSA-N 2 1 331.460 1.523 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782620 453444632 /nfs/dbraw/zinc/44/46/32/453444632.db2.gz HVUFPAOFKIDKNP-INIZCTEOSA-N 2 1 341.455 1.994 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662728524 453455844 /nfs/dbraw/zinc/45/58/44/453455844.db2.gz BDDNSZHCHBTFHN-HOTGVXAUSA-N 2 1 348.495 1.300 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662745924 453474307 /nfs/dbraw/zinc/47/43/07/453474307.db2.gz PVIZRDQPHHXRRV-CQSZACIVSA-N 2 1 334.468 1.149 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662757066 453494006 /nfs/dbraw/zinc/49/40/06/453494006.db2.gz KEUZHZRJAVAOQW-MSOLQXFVSA-N 2 1 346.475 1.126 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664934592 453498916 /nfs/dbraw/zinc/49/89/16/453498916.db2.gz FKCHHNXVBURHRS-NVXWUHKLSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664934592 453498924 /nfs/dbraw/zinc/49/89/24/453498924.db2.gz FKCHHNXVBURHRS-NVXWUHKLSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664934592 453498930 /nfs/dbraw/zinc/49/89/30/453498930.db2.gz FKCHHNXVBURHRS-NVXWUHKLSA-N 2 1 340.512 1.347 20 0 EDADMP O=C(CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1)N1CCOCC1 ZINC000660674470 453504760 /nfs/dbraw/zinc/50/47/60/453504760.db2.gz CLLNDNIBSHXVML-UHFFFAOYSA-N 2 1 331.460 1.490 20 0 EDADMP [NH3+][C@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1ccc(F)cc1F ZINC000662779798 453515005 /nfs/dbraw/zinc/51/50/05/453515005.db2.gz UQBKETAADQXGLU-SDBXPKJASA-N 2 1 338.383 1.876 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000662785324 453518883 /nfs/dbraw/zinc/51/88/83/453518883.db2.gz GNNQXMYSEFKBSZ-QGZVFWFLSA-N 2 1 334.464 1.131 20 0 EDADMP COc1cccc2c(N3CCN(CC[NH+](C)C)C(=O)C3)cc(C)[nH+]c12 ZINC000651382994 453522373 /nfs/dbraw/zinc/52/23/73/453522373.db2.gz CTNKZUQRPWWKKH-UHFFFAOYSA-N 2 1 342.443 1.762 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000662798948 453533175 /nfs/dbraw/zinc/53/31/75/453533175.db2.gz HPDHUWZNEUOGOU-KURKYZTESA-N 2 1 331.460 1.473 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000665271055 453630887 /nfs/dbraw/zinc/63/08/87/453630887.db2.gz GFFURDLNAUBJEU-IRXDYDNUSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000659389688 453736563 /nfs/dbraw/zinc/73/65/63/453736563.db2.gz PKEABQQLGUFKEZ-DTTOXWODSA-N 2 1 349.450 1.807 20 0 EDADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000663364647 453780643 /nfs/dbraw/zinc/78/06/43/453780643.db2.gz SURWUVSRSGWXMM-MOPGFXCFSA-N 2 1 348.487 1.886 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657430709 453785576 /nfs/dbraw/zinc/78/55/76/453785576.db2.gz AXQAPFJSOMFTPN-GOSISDBHSA-N 2 1 326.444 1.686 20 0 EDADMP CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC(=O)N(C)C1=O ZINC000670271983 486777037 /nfs/dbraw/zinc/77/70/37/486777037.db2.gz SMTJKBUWMPREGP-KRWDZBQOSA-N 2 1 347.459 1.596 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000683986259 486897262 /nfs/dbraw/zinc/89/72/62/486897262.db2.gz RXHHMRMZZMWVNK-HNNXBMFYSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000683986259 486897267 /nfs/dbraw/zinc/89/72/67/486897267.db2.gz RXHHMRMZZMWVNK-HNNXBMFYSA-N 2 1 340.512 1.469 20 0 EDADMP C[NH+]1CCC[C@H](CNc2nccnc2NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000680956700 486908177 /nfs/dbraw/zinc/90/81/77/486908177.db2.gz ALFPMCLGWMUIIQ-HZPDHXFCSA-N 2 1 332.496 1.984 20 0 EDADMP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000667795832 486968639 /nfs/dbraw/zinc/96/86/39/486968639.db2.gz RFMUWDZCLULEAT-MRXNPFEDSA-N 2 1 345.447 1.056 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000677429916 487078766 /nfs/dbraw/zinc/07/87/66/487078766.db2.gz NUUALQFIDMCVLB-SJLPKXTDSA-N 2 1 328.460 1.957 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000677429916 487078771 /nfs/dbraw/zinc/07/87/71/487078771.db2.gz NUUALQFIDMCVLB-SJLPKXTDSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000677429916 487078775 /nfs/dbraw/zinc/07/87/75/487078775.db2.gz NUUALQFIDMCVLB-SJLPKXTDSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000677429916 487078780 /nfs/dbraw/zinc/07/87/80/487078780.db2.gz NUUALQFIDMCVLB-SJLPKXTDSA-N 2 1 328.460 1.957 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000673706948 487097343 /nfs/dbraw/zinc/09/73/43/487097343.db2.gz SLCMJBKJBSHONZ-MRXNPFEDSA-N 2 1 340.512 1.469 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673866457 487139068 /nfs/dbraw/zinc/13/90/68/487139068.db2.gz CNRKVLIICFQURM-MRXNPFEDSA-N 2 1 336.484 1.783 20 0 EDADMP OCC[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](CCO)C2)C1 ZINC000674232635 487219473 /nfs/dbraw/zinc/21/94/73/487219473.db2.gz HNELICSSWJCWHD-QZTJIDSGSA-N 2 1 328.497 1.192 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000675177529 487385418 /nfs/dbraw/zinc/38/54/18/487385418.db2.gz UHODRHOKXLQCIR-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H](CC)C[NH+]2CCCC2)CC1 ZINC000675197634 487388233 /nfs/dbraw/zinc/38/82/33/487388233.db2.gz QCQTZNXFGSCNEZ-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP CC[C@H](NC(=O)NC[C@@H](C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669532982 485508143 /nfs/dbraw/zinc/50/81/43/485508143.db2.gz HUSVVBBEKLNJRV-PVAVHDDUSA-N 2 1 334.464 1.312 20 0 EDADMP CC[C@H](NC(=O)NC[C@@H](C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669532982 485508147 /nfs/dbraw/zinc/50/81/47/485508147.db2.gz HUSVVBBEKLNJRV-PVAVHDDUSA-N 2 1 334.464 1.312 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)N3CC[C@@H]([NH3+])C3)CC[N@H+]2C2CC2)c1 ZINC000669554350 485551555 /nfs/dbraw/zinc/55/15/55/485551555.db2.gz DYHXQAMDHULTGE-ZTFGCOKTSA-N 2 1 344.459 1.716 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)NC[C@@H](C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000669554263 485553297 /nfs/dbraw/zinc/55/32/97/485553297.db2.gz ZTHNNEORHUOVAC-CSMYWGQOSA-N 2 1 332.448 1.619 20 0 EDADMP Cc1ccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000669555619 485556442 /nfs/dbraw/zinc/55/64/42/485556442.db2.gz SIQSSKOJPSLQNO-MRXNPFEDSA-N 2 1 347.463 1.249 20 0 EDADMP C[C@@H](NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000669555796 485557060 /nfs/dbraw/zinc/55/70/60/485557060.db2.gz HVVWVZIVZSSSTE-HWMZRRJGSA-N 2 1 338.496 1.397 20 0 EDADMP CN(CC[NH3+])C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000669556920 485559815 /nfs/dbraw/zinc/55/98/15/485559815.db2.gz NUEMGYGDCNRJFN-RCCFBDPRSA-N 2 1 330.476 1.887 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669573789 485605746 /nfs/dbraw/zinc/60/57/46/485605746.db2.gz YINQGPPANHOHOM-GBESFXJTSA-N 2 1 342.487 1.902 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC2C[NH2+]C2)C1 ZINC000669125117 485706307 /nfs/dbraw/zinc/70/63/07/485706307.db2.gz KTFYHHYKCKMACP-HNNXBMFYSA-N 2 1 330.476 1.937 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368620238 485742486 /nfs/dbraw/zinc/74/24/86/485742486.db2.gz XMRDJIYQRTYADE-WCXIOVBPSA-N 2 1 336.480 1.118 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000669184425 485785525 /nfs/dbraw/zinc/78/55/25/485785525.db2.gz ZAPATGBPVPOPGX-INIZCTEOSA-N 2 1 340.512 1.212 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669312715 485959603 /nfs/dbraw/zinc/95/96/03/485959603.db2.gz CQCLEZCSLGCHSV-MJGOQNOKSA-N 2 1 342.487 1.828 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000668641870 485985372 /nfs/dbraw/zinc/98/53/72/485985372.db2.gz CFNMUJNQRMAXAS-ZOBUZTSGSA-N 2 1 346.475 1.549 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)NC/C=C\C[NH3+])[C@@H](c2ccccc2)C1 ZINC000669347612 485995523 /nfs/dbraw/zinc/99/55/23/485995523.db2.gz SDIUNGZHFDNARY-OOFWQKGWSA-N 2 1 345.491 1.179 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)NC/C=C\C[NH3+])[C@@H](c2ccccc2)C1 ZINC000669347612 485995525 /nfs/dbraw/zinc/99/55/25/485995525.db2.gz SDIUNGZHFDNARY-OOFWQKGWSA-N 2 1 345.491 1.179 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)NC/C=C\C[NH3+])[C@@H](c2ccccc2)C1 ZINC000669347612 485995530 /nfs/dbraw/zinc/99/55/30/485995530.db2.gz SDIUNGZHFDNARY-OOFWQKGWSA-N 2 1 345.491 1.179 20 0 EDADMP COCCOc1ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668741236 486114250 /nfs/dbraw/zinc/11/42/50/486114250.db2.gz PVZHZAPEANOARL-GOSISDBHSA-N 2 1 334.460 1.743 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000668809923 486219122 /nfs/dbraw/zinc/21/91/22/486219122.db2.gz YBMIRNTZGCDOIV-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000669484418 486250035 /nfs/dbraw/zinc/25/00/35/486250035.db2.gz WDJWFCDDUPMYEP-SJLPKXTDSA-N 2 1 345.491 1.154 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000669484418 486250041 /nfs/dbraw/zinc/25/00/41/486250041.db2.gz WDJWFCDDUPMYEP-SJLPKXTDSA-N 2 1 345.491 1.154 20 0 EDADMP C[C@H](CCNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000669511480 486294731 /nfs/dbraw/zinc/29/47/31/486294731.db2.gz LVGXNKBFSMIRLB-RYRKJORJSA-N 2 1 348.491 1.655 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000275497965 486536272 /nfs/dbraw/zinc/53/62/72/486536272.db2.gz BXOITWNAIARJDV-KZNAEPCWSA-N 2 1 331.460 1.664 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000275497965 486536274 /nfs/dbraw/zinc/53/62/74/486536274.db2.gz BXOITWNAIARJDV-KZNAEPCWSA-N 2 1 331.460 1.664 20 0 EDADMP CN(C)C[C@](C)(O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000131466489 491212664 /nfs/dbraw/zinc/21/26/64/491212664.db2.gz VWKWAJRQTZGVLP-LJQANCHMSA-N 2 1 335.492 1.563 20 0 EDADMP C[C@H](NC(=O)NC/C=C\C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494758 490998407 /nfs/dbraw/zinc/99/84/07/490998407.db2.gz KJILOMJHKGQJDC-RDTQODSXSA-N 2 1 332.448 1.090 20 0 EDADMP C[C@H](NC(=O)NC/C=C\C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494758 490998408 /nfs/dbraw/zinc/99/84/08/490998408.db2.gz KJILOMJHKGQJDC-RDTQODSXSA-N 2 1 332.448 1.090 20 0 EDADMP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000073125317 491007496 /nfs/dbraw/zinc/00/74/96/491007496.db2.gz HZVIWMMYKCRLKA-AEFFLSMTSA-N 2 1 330.476 1.894 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000073125317 491007497 /nfs/dbraw/zinc/00/74/97/491007497.db2.gz HZVIWMMYKCRLKA-AEFFLSMTSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000073125317 491007498 /nfs/dbraw/zinc/00/74/98/491007498.db2.gz HZVIWMMYKCRLKA-AEFFLSMTSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000073125317 491007499 /nfs/dbraw/zinc/00/74/99/491007499.db2.gz HZVIWMMYKCRLKA-AEFFLSMTSA-N 2 1 330.476 1.894 20 0 EDADMP COCCOc1ccccc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000083455433 491184296 /nfs/dbraw/zinc/18/42/96/491184296.db2.gz CRQOMRWNWCLVBX-UHFFFAOYSA-N 2 1 335.492 1.829 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](CCO)C(C)C)CC1 ZINC000176361846 534811919 /nfs/dbraw/zinc/81/19/19/534811919.db2.gz NLKZISSHMMNIFP-UHFFFAOYSA-N 2 1 347.503 1.778 20 0 EDADMP CC(C)(CNC(=O)C[NH2+]C[C@@H]1CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000164922273 527108081 /nfs/dbraw/zinc/10/80/81/527108081.db2.gz QJSYGUUBFXIKKB-SFHVURJKSA-N 2 1 345.487 1.708 20 0 EDADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000173738253 527805435 /nfs/dbraw/zinc/80/54/35/527805435.db2.gz VYAGOBXARGLCHT-AWEZNQCLSA-N 2 1 344.459 1.371 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000173738253 527805441 /nfs/dbraw/zinc/80/54/41/527805441.db2.gz VYAGOBXARGLCHT-AWEZNQCLSA-N 2 1 344.459 1.371 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000173738253 527805443 /nfs/dbraw/zinc/80/54/43/527805443.db2.gz VYAGOBXARGLCHT-AWEZNQCLSA-N 2 1 344.459 1.371 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000173738253 527805449 /nfs/dbraw/zinc/80/54/49/527805449.db2.gz VYAGOBXARGLCHT-AWEZNQCLSA-N 2 1 344.459 1.371 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000166126847 528550181 /nfs/dbraw/zinc/55/01/81/528550181.db2.gz PFEIZLFMJCSCDW-QAPCUYQASA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000166126847 528550185 /nfs/dbraw/zinc/55/01/85/528550185.db2.gz PFEIZLFMJCSCDW-QAPCUYQASA-N 2 1 333.476 1.897 20 0 EDADMP CC1(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)COC1 ZINC000352772762 535153457 /nfs/dbraw/zinc/15/34/57/535153457.db2.gz RPGHTWKYJHLRER-UHFFFAOYSA-N 2 1 347.459 1.474 20 0 EDADMP CC(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000339520771 535187560 /nfs/dbraw/zinc/18/75/60/535187560.db2.gz DJTPAYKXGGLZAN-SFHVURJKSA-N 2 1 330.476 1.997 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000345854994 535200302 /nfs/dbraw/zinc/20/03/02/535200302.db2.gz XYGVLTHPXATLLN-GUDVDZBRSA-N 2 1 339.524 1.264 20 0 EDADMP CCC[C@@H]1CN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC[N@@H+]1CCOC ZINC000347497494 535427914 /nfs/dbraw/zinc/42/79/14/535427914.db2.gz YVYDQEAMOGSSHD-YESZJQIVSA-N 2 1 325.497 1.819 20 0 EDADMP CCC[C@@H]1CN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC[N@H+]1CCOC ZINC000347497494 535427919 /nfs/dbraw/zinc/42/79/19/535427919.db2.gz YVYDQEAMOGSSHD-YESZJQIVSA-N 2 1 325.497 1.819 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000073437669 535512200 /nfs/dbraw/zinc/51/22/00/535512200.db2.gz LFTVYXKNTIRWAB-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CC[C@@H](C)[C@@H](NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C)C(=O)OC ZINC000269901833 535657587 /nfs/dbraw/zinc/65/75/87/535657587.db2.gz OLPXKNWJBKLTBU-CZUORRHYSA-N 2 1 338.452 1.217 20 0 EDADMP CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C)C(=O)OC ZINC000269901833 535657591 /nfs/dbraw/zinc/65/75/91/535657591.db2.gz OLPXKNWJBKLTBU-CZUORRHYSA-N 2 1 338.452 1.217 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000262674665 535711648 /nfs/dbraw/zinc/71/16/48/535711648.db2.gz QPCBALZHECDRJI-QGZVFWFLSA-N 2 1 338.540 1.676 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000073104707 535760379 /nfs/dbraw/zinc/76/03/79/535760379.db2.gz SIEPVXBFLJUUIR-MRXNPFEDSA-N 2 1 348.447 1.236 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000073104707 535760387 /nfs/dbraw/zinc/76/03/87/535760387.db2.gz SIEPVXBFLJUUIR-MRXNPFEDSA-N 2 1 348.447 1.236 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NCC1(COC)CC[NH2+]CC1)c1ccccc1 ZINC000261820028 535761767 /nfs/dbraw/zinc/76/17/67/535761767.db2.gz XTYFVMCIPVGTTK-KRWDZBQOSA-N 2 1 333.476 1.812 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)ccc1=O ZINC000270060084 535934442 /nfs/dbraw/zinc/93/44/42/535934442.db2.gz FCTOQCSUMDDCAK-SFHVURJKSA-N 2 1 342.443 1.651 20 0 EDADMP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000332312180 535993907 /nfs/dbraw/zinc/99/39/07/535993907.db2.gz KQXZAOBKFXUNFH-UHFFFAOYSA-N 2 1 333.436 1.801 20 0 EDADMP CC[C@@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CCC[NH2+]1 ZINC000262384776 536027378 /nfs/dbraw/zinc/02/73/78/536027378.db2.gz LBFFEBILMTUBKJ-APWZRJJASA-N 2 1 344.459 1.607 20 0 EDADMP CC[C@@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CCC[NH2+]1 ZINC000262384776 536027381 /nfs/dbraw/zinc/02/73/81/536027381.db2.gz LBFFEBILMTUBKJ-APWZRJJASA-N 2 1 344.459 1.607 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000262301509 536386232 /nfs/dbraw/zinc/38/62/32/536386232.db2.gz BOWCGPSAQASWTF-QGTPRVQTSA-N 2 1 341.459 1.460 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000262301509 536386233 /nfs/dbraw/zinc/38/62/33/536386233.db2.gz BOWCGPSAQASWTF-QGTPRVQTSA-N 2 1 341.459 1.460 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000237200661 536406866 /nfs/dbraw/zinc/40/68/66/536406866.db2.gz LKKIHLGOZRINEV-INIZCTEOSA-N 2 1 330.432 1.155 20 0 EDADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)c2C)cc1 ZINC000263157140 536590908 /nfs/dbraw/zinc/59/09/08/536590908.db2.gz DOJLMSQYGZWJNR-QFBILLFUSA-N 2 1 344.459 1.227 20 0 EDADMP COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000261928988 536874243 /nfs/dbraw/zinc/87/42/43/536874243.db2.gz JFGKLXUGXHUFNG-NSHDSACASA-N 2 1 325.434 1.534 20 0 EDADMP COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000261928988 536874245 /nfs/dbraw/zinc/87/42/45/536874245.db2.gz JFGKLXUGXHUFNG-NSHDSACASA-N 2 1 325.434 1.534 20 0 EDADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000742194794 579439320 /nfs/dbraw/zinc/43/93/20/579439320.db2.gz JPGUFJIWQNFPNB-QGZVFWFLSA-N 2 1 344.503 1.993 20 0 EDADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000742194794 579439321 /nfs/dbraw/zinc/43/93/21/579439321.db2.gz JPGUFJIWQNFPNB-QGZVFWFLSA-N 2 1 344.503 1.993 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000729683933 578587370 /nfs/dbraw/zinc/58/73/70/578587370.db2.gz HBIFIGKZDGMWSK-QGZVFWFLSA-N 2 1 326.444 1.912 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000729683933 578587371 /nfs/dbraw/zinc/58/73/71/578587371.db2.gz HBIFIGKZDGMWSK-QGZVFWFLSA-N 2 1 326.444 1.912 20 0 EDADMP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000733165260 578745523 /nfs/dbraw/zinc/74/55/23/578745523.db2.gz AKEVUKFOWXRXKB-MSOLQXFVSA-N 2 1 332.492 1.996 20 0 EDADMP COC(=O)C1CC[NH+](CCCNc2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000733187926 578751135 /nfs/dbraw/zinc/75/11/35/578751135.db2.gz WYHMWIHPTMAGAR-UHFFFAOYSA-N 2 1 347.463 1.764 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000734552945 578823054 /nfs/dbraw/zinc/82/30/54/578823054.db2.gz YSHCPUHGQNFBKP-SFHVURJKSA-N 2 1 338.540 1.737 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000734552945 578823055 /nfs/dbraw/zinc/82/30/55/578823055.db2.gz YSHCPUHGQNFBKP-SFHVURJKSA-N 2 1 338.540 1.737 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000734552945 578823056 /nfs/dbraw/zinc/82/30/56/578823056.db2.gz YSHCPUHGQNFBKP-SFHVURJKSA-N 2 1 338.540 1.737 20 0 EDADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)NCc1ccccn1 ZINC000745948421 579568275 /nfs/dbraw/zinc/56/82/75/579568275.db2.gz HFRXKXLBFVLHII-UHFFFAOYSA-N 2 1 346.475 1.275 20 0 EDADMP [NH3+]CCCCCC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000746307887 579586386 /nfs/dbraw/zinc/58/63/86/579586386.db2.gz DVXFKYLLOWNRQR-UHFFFAOYSA-N 2 1 336.455 1.583 20 0 EDADMP O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000747674046 579653335 /nfs/dbraw/zinc/65/33/35/579653335.db2.gz BDAAAQNNTHCYPZ-JKSUJKDBSA-N 2 1 332.448 1.189 20 0 EDADMP O=C(Nc1ccccn1)[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000747674046 579653336 /nfs/dbraw/zinc/65/33/36/579653336.db2.gz BDAAAQNNTHCYPZ-JKSUJKDBSA-N 2 1 332.448 1.189 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCN2CCOC2=O)CC1 ZINC000749331088 579721984 /nfs/dbraw/zinc/72/19/84/579721984.db2.gz HRRZGTUUUXPTJN-IAGOWNOFSA-N 2 1 338.496 1.319 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000751322133 579801421 /nfs/dbraw/zinc/80/14/21/579801421.db2.gz AKTFFUYFFTWQTR-UHFFFAOYSA-N 2 1 331.460 1.621 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC000765811840 580151800 /nfs/dbraw/zinc/15/18/00/580151800.db2.gz RHMQJQHUDIRUGQ-WMZOPIPTSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC000765811840 580151801 /nfs/dbraw/zinc/15/18/01/580151801.db2.gz RHMQJQHUDIRUGQ-WMZOPIPTSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000766086488 580158610 /nfs/dbraw/zinc/15/86/10/580158610.db2.gz MAAWQSBDSKAQGE-GDBMZVCRSA-N 2 1 334.468 1.393 20 0 EDADMP C[C@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000770434874 580260415 /nfs/dbraw/zinc/26/04/15/580260415.db2.gz IFGQFLPKGBJHBG-YJBOKZPZSA-N 2 1 348.491 1.609 20 0 EDADMP C[C@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000770434874 580260416 /nfs/dbraw/zinc/26/04/16/580260416.db2.gz IFGQFLPKGBJHBG-YJBOKZPZSA-N 2 1 348.491 1.609 20 0 EDADMP O=C(CC1([NH+]2CCOCC2)CCCC1)OCCC[NH+]1CCOCC1 ZINC000786100255 580661367 /nfs/dbraw/zinc/66/13/67/580661367.db2.gz NZUHPPMCNQBLDW-UHFFFAOYSA-N 2 1 340.464 1.287 20 0 EDADMP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000787676837 580701500 /nfs/dbraw/zinc/70/15/00/580701500.db2.gz RQPFYIAEACSZTF-OAHLLOKOSA-N 2 1 327.469 1.698 20 0 EDADMP CC(C)(C)OC(=O)NCCN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000787676837 580701501 /nfs/dbraw/zinc/70/15/01/580701501.db2.gz RQPFYIAEACSZTF-OAHLLOKOSA-N 2 1 327.469 1.698 20 0 EDADMP COC(=O)CC[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C(C)C ZINC000790363706 580767680 /nfs/dbraw/zinc/76/76/80/580767680.db2.gz UWHDNSOTMCLMRS-KRWDZBQOSA-N 2 1 339.436 1.134 20 0 EDADMP COC(=O)CC[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C(C)C ZINC000790363706 580767681 /nfs/dbraw/zinc/76/76/81/580767681.db2.gz UWHDNSOTMCLMRS-KRWDZBQOSA-N 2 1 339.436 1.134 20 0 EDADMP CC(C)[NH+]1CCN(CCCOC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000792203276 580813331 /nfs/dbraw/zinc/81/33/31/580813331.db2.gz JANZKUXNISYMDW-CALCHBBNSA-N 2 1 325.497 1.819 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2cc(Br)no2)C1 ZINC000793845209 580857761 /nfs/dbraw/zinc/85/77/61/580857761.db2.gz TZEQZILEVONTIM-JTQLQIEISA-N 2 1 347.213 1.545 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cc(Br)no2)C1 ZINC000793845209 580857762 /nfs/dbraw/zinc/85/77/62/580857762.db2.gz TZEQZILEVONTIM-JTQLQIEISA-N 2 1 347.213 1.545 20 0 EDADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)s1 ZINC000796321032 580950851 /nfs/dbraw/zinc/95/08/51/580950851.db2.gz SETHQEHNIQPTKI-HOTGVXAUSA-N 2 1 338.521 1.938 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(OCC(N)=O)cc3)C2)CC1 ZINC000798957400 581012330 /nfs/dbraw/zinc/01/23/30/581012330.db2.gz VWCGQKSQLIXNPE-UHFFFAOYSA-N 2 1 331.460 1.859 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000891856582 590658155 /nfs/dbraw/zinc/65/81/55/590658155.db2.gz RZSQHOLNTAPFKY-BPQIPLTHSA-N 2 1 346.475 1.409 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891909876 590683702 /nfs/dbraw/zinc/68/37/02/590683702.db2.gz NWPXGSXFCODARQ-CVEARBPZSA-N 2 1 340.512 1.565 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000892015922 590747458 /nfs/dbraw/zinc/74/74/58/590747458.db2.gz RRDMWPWCBDITOP-KBAYOESNSA-N 2 1 330.476 1.806 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000892018391 590748906 /nfs/dbraw/zinc/74/89/06/590748906.db2.gz BEKMWLGUEWDIBP-ZYSHUDEJSA-N 2 1 342.487 1.636 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)CC[C@H]21 ZINC000892119121 590809261 /nfs/dbraw/zinc/80/92/61/590809261.db2.gz MQJGOUCUTMFZNT-KBAYOESNSA-N 2 1 328.460 1.609 20 0 EDADMP C[N@H+]1C[C@@H](CNC(=O)N[C@H]2CCC[NH+](C)C2)[C@H](c2ccccc2)C1 ZINC000892237404 590880045 /nfs/dbraw/zinc/88/00/45/590880045.db2.gz JGRADXAUOFXGTN-SQNIBIBYSA-N 2 1 330.476 1.725 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)N[C@H]2CCC[N@H+](C)C2)[C@H](c2ccccc2)C1 ZINC000892237404 590880051 /nfs/dbraw/zinc/88/00/51/590880051.db2.gz JGRADXAUOFXGTN-SQNIBIBYSA-N 2 1 330.476 1.725 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)N[C@H]2CCC[N@@H+](C)C2)[C@H](c2ccccc2)C1 ZINC000892237404 590880057 /nfs/dbraw/zinc/88/00/57/590880057.db2.gz JGRADXAUOFXGTN-SQNIBIBYSA-N 2 1 330.476 1.725 20 0 EDADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC000892236880 590880553 /nfs/dbraw/zinc/88/05/53/590880553.db2.gz UGBZPKNTZLMKNO-OCCSQVGLSA-N 2 1 349.504 1.686 20 0 EDADMP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@@H+](C)C(C)(C)C3)cc2n1 ZINC000891008801 590910981 /nfs/dbraw/zinc/91/09/81/590910981.db2.gz LCTFDYYNQVZXQY-UHFFFAOYSA-N 2 1 329.404 1.134 20 0 EDADMP [NH3+]CC12CCC(CC1)N2C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000892475086 591040753 /nfs/dbraw/zinc/04/07/53/591040753.db2.gz TXEQEZIVCQIOOW-UHFFFAOYSA-N 2 1 342.487 1.922 20 0 EDADMP Nc1cc[nH+]c(CNC(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000891349805 591054863 /nfs/dbraw/zinc/05/48/63/591054863.db2.gz WLLMDAHXYKAOJY-UHFFFAOYSA-N 2 1 325.416 1.521 20 0 EDADMP C[NH+]1CC[C@@H](NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)[C@@H]1c1ccccc1 ZINC000893873943 591125019 /nfs/dbraw/zinc/12/50/19/591125019.db2.gz DUDGFTNCEKUTML-MLHJIOFPSA-N 2 1 328.460 1.777 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000893914181 591135532 /nfs/dbraw/zinc/13/55/32/591135532.db2.gz LJNWEIJDZCFQGP-HNNXBMFYSA-N 2 1 349.479 1.306 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)n1C ZINC000891653595 591169809 /nfs/dbraw/zinc/16/98/09/591169809.db2.gz FPCMJKAUNKQELW-OAHLLOKOSA-N 2 1 348.495 1.598 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000891727265 591200696 /nfs/dbraw/zinc/20/06/96/591200696.db2.gz FYRBCKXWPJYIHH-PMPSAXMXSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1=CC[N@@H+](C)CC1 ZINC000891766086 591216663 /nfs/dbraw/zinc/21/66/63/591216663.db2.gz RBJRFMIFWCZUJS-KDOFPFPSSA-N 2 1 328.460 1.651 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1cc[nH+]cc1CO ZINC000894199166 591224698 /nfs/dbraw/zinc/22/46/98/591224698.db2.gz VOYVCEJQSSJLRF-YLJYHZDGSA-N 2 1 341.455 1.945 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000892932299 591229646 /nfs/dbraw/zinc/22/96/46/591229646.db2.gz FIWVWGWVZGNNHX-OAHLLOKOSA-N 2 1 338.496 1.495 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892938965 591231135 /nfs/dbraw/zinc/23/11/35/591231135.db2.gz VNIXCUSAULPFAU-SJORKVTESA-N 2 1 343.487 1.483 20 0 EDADMP CC[NH+]1CCN(c2nccc(N3CC[N@H+](CC)[C@H](C)C3)n2)C[C@H]1C ZINC000892971787 591243217 /nfs/dbraw/zinc/24/32/17/591243217.db2.gz UPXYAXYUMKOXDY-HZPDHXFCSA-N 2 1 332.496 1.537 20 0 EDADMP CC[NH+]1CCN(c2ccnc(N3CC[N@H+](CC)[C@H](C)C3)n2)C[C@H]1C ZINC000892971787 591243218 /nfs/dbraw/zinc/24/32/18/591243218.db2.gz UPXYAXYUMKOXDY-HZPDHXFCSA-N 2 1 332.496 1.537 20 0 EDADMP CC[NH+]1CCN(c2ccnc(N3CC[N@@H+](CC)[C@H](C)C3)n2)C[C@H]1C ZINC000892971787 591243219 /nfs/dbraw/zinc/24/32/19/591243219.db2.gz UPXYAXYUMKOXDY-HZPDHXFCSA-N 2 1 332.496 1.537 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](CC3CC[NH+](C)CC3)CC23CCOCC3)cn1 ZINC000894708152 591393790 /nfs/dbraw/zinc/39/37/90/591393790.db2.gz TXCRRLBKRFLHKZ-GOSISDBHSA-N 2 1 332.492 1.958 20 0 EDADMP C[C@@H]1CCc2[nH]nc(C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)c2C1 ZINC000896324875 591419431 /nfs/dbraw/zinc/41/94/31/591419431.db2.gz KVTNBFVRAPBWGX-KGLIPLIRSA-N 2 1 345.491 1.433 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000897455004 591460313 /nfs/dbraw/zinc/46/03/13/591460313.db2.gz MTSWYFXZPIMGNM-HRCADAONSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000897455004 591460315 /nfs/dbraw/zinc/46/03/15/591460315.db2.gz MTSWYFXZPIMGNM-HRCADAONSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000897455004 591460317 /nfs/dbraw/zinc/46/03/17/591460317.db2.gz MTSWYFXZPIMGNM-HRCADAONSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000897455004 591460318 /nfs/dbraw/zinc/46/03/18/591460318.db2.gz MTSWYFXZPIMGNM-HRCADAONSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000897466448 591468255 /nfs/dbraw/zinc/46/82/55/591468255.db2.gz UQKBUZQJCFBIAD-SJORKVTESA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000897470589 591472945 /nfs/dbraw/zinc/47/29/45/591472945.db2.gz HAYVWGHUIFYWKB-JKSUJKDBSA-N 2 1 331.464 1.644 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000897515125 591515303 /nfs/dbraw/zinc/51/53/03/591515303.db2.gz JMRZDVVPBZIEGV-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000897517537 591517690 /nfs/dbraw/zinc/51/76/90/591517690.db2.gz AZQVVCVPVHBFTE-NVXWUHKLSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000897518869 591520052 /nfs/dbraw/zinc/52/00/52/591520052.db2.gz MYIKUIARMJGVEC-CVEARBPZSA-N 2 1 331.464 1.786 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000900009492 591865793 /nfs/dbraw/zinc/86/57/93/591865793.db2.gz JKVWUZFQROJPRN-UHFFFAOYSA-N 2 1 326.529 1.497 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N(C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000900080684 591891548 /nfs/dbraw/zinc/89/15/48/591891548.db2.gz QUJDKUDNBWDATC-UHFFFAOYSA-N 2 1 338.540 1.734 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000900204611 591940672 /nfs/dbraw/zinc/94/06/72/591940672.db2.gz LNPDWIRJJVXKPL-MRXNPFEDSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000900204611 591940674 /nfs/dbraw/zinc/94/06/74/591940674.db2.gz LNPDWIRJJVXKPL-MRXNPFEDSA-N 2 1 339.480 1.110 20 0 EDADMP COc1c[nH]c(CO)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=O ZINC000902201692 591944574 /nfs/dbraw/zinc/94/45/74/591944574.db2.gz OXCOUKKSNATFEV-CQSZACIVSA-N 2 1 335.448 1.040 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900218231 591947194 /nfs/dbraw/zinc/94/71/94/591947194.db2.gz JDSHTTXMTRMJRS-HPFXQQBRSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900218231 591947197 /nfs/dbraw/zinc/94/71/97/591947197.db2.gz JDSHTTXMTRMJRS-HPFXQQBRSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900218231 591947201 /nfs/dbraw/zinc/94/72/01/591947201.db2.gz JDSHTTXMTRMJRS-HPFXQQBRSA-N 2 1 325.497 1.316 20 0 EDADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900240386 591952262 /nfs/dbraw/zinc/95/22/62/591952262.db2.gz KGLYPEBISBLSQB-IKJBURDNSA-N 2 1 335.492 1.620 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000900285138 591971497 /nfs/dbraw/zinc/97/14/97/591971497.db2.gz IPRZMTRIMGMMKI-FUHWJXTLSA-N 2 1 337.439 1.391 20 0 EDADMP C[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)C1([NH3+])CC1 ZINC000902360602 591986227 /nfs/dbraw/zinc/98/62/27/591986227.db2.gz HPUAURRBTWAENL-CQSZACIVSA-N 2 1 337.489 1.582 20 0 EDADMP CSCC1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000902390565 591989898 /nfs/dbraw/zinc/98/98/98/591989898.db2.gz NRMXFZSKMGTDFH-UHFFFAOYSA-N 2 1 340.493 1.035 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000900390845 592004273 /nfs/dbraw/zinc/00/42/73/592004273.db2.gz JRJLOWKZSSYNBF-UHFFFAOYSA-N 2 1 338.540 1.783 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000900390845 592004275 /nfs/dbraw/zinc/00/42/75/592004275.db2.gz JRJLOWKZSSYNBF-UHFFFAOYSA-N 2 1 338.540 1.783 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000900390845 592004277 /nfs/dbraw/zinc/00/42/77/592004277.db2.gz JRJLOWKZSSYNBF-UHFFFAOYSA-N 2 1 338.540 1.783 20 0 EDADMP C[NH+](C)CCOc1cccc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)c1 ZINC000900455999 592022733 /nfs/dbraw/zinc/02/27/33/592022733.db2.gz HIGRHEGVOLQVIC-GOSISDBHSA-N 2 1 335.448 1.412 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)C)C1 ZINC000900564664 592053775 /nfs/dbraw/zinc/05/37/75/592053775.db2.gz ZFGRUZCEEDMAOA-HOTGVXAUSA-N 2 1 339.480 1.204 20 0 EDADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900685466 592094031 /nfs/dbraw/zinc/09/40/31/592094031.db2.gz TYFMULRWKIJDTJ-SQNIBIBYSA-N 2 1 335.492 1.763 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903425081 592171069 /nfs/dbraw/zinc/17/10/69/592171069.db2.gz QWOSEEWVQIHDDE-GJZGRUSLSA-N 2 1 345.443 1.358 20 0 EDADMP CC[C@@H]1C[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1[NH3+] ZINC000903450289 592173807 /nfs/dbraw/zinc/17/38/07/592173807.db2.gz SREURTFBLAGDTM-PBHICJAKSA-N 2 1 345.443 1.358 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000900958496 592185093 /nfs/dbraw/zinc/18/50/93/592185093.db2.gz JMRYSIWRWURZFD-MSOLQXFVSA-N 2 1 338.540 1.782 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1nc(-c3ccsc3)no1)C2 ZINC000903493460 592185441 /nfs/dbraw/zinc/18/54/41/592185441.db2.gz XZEACKYJNZCRLR-OZVIIMIRSA-N 2 1 348.428 1.510 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cccnc1C(F)(F)F)C2 ZINC000903495139 592186741 /nfs/dbraw/zinc/18/67/41/592186741.db2.gz WVLSMSPSWWDEIT-ZOWXZIJZSA-N 2 1 343.349 1.813 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000903494499 592186940 /nfs/dbraw/zinc/18/69/40/592186940.db2.gz HAWFDIYAWVYNFE-SCTDSRPQSA-N 3 1 329.444 1.045 20 0 EDADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495876 592187760 /nfs/dbraw/zinc/18/77/60/592187760.db2.gz AZGFQZIOJFZPOP-FPCVCCKLSA-N 2 1 347.459 1.248 20 0 EDADMP O=C(CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)Nc1ccccc1 ZINC000903508590 592189492 /nfs/dbraw/zinc/18/94/92/592189492.db2.gz NEKINXXSONIYAZ-KDURUIRLSA-N 2 1 342.487 1.916 20 0 EDADMP O=C(CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)Nc1ccccc1 ZINC000903508590 592189493 /nfs/dbraw/zinc/18/94/93/592189493.db2.gz NEKINXXSONIYAZ-KDURUIRLSA-N 2 1 342.487 1.916 20 0 EDADMP O=C(CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)Nc1ccccc1 ZINC000903508590 592189495 /nfs/dbraw/zinc/18/94/95/592189495.db2.gz NEKINXXSONIYAZ-KDURUIRLSA-N 2 1 342.487 1.916 20 0 EDADMP CC(C)(C)CCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903509341 592189894 /nfs/dbraw/zinc/18/98/94/592189894.db2.gz FLOBXHOFBKJYML-CALCHBBNSA-N 2 1 336.524 1.439 20 0 EDADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906668243 592249924 /nfs/dbraw/zinc/24/99/24/592249924.db2.gz LPLDBGYYNSAVOM-MRXNPFEDSA-N 2 1 346.475 1.762 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906668243 592249927 /nfs/dbraw/zinc/24/99/27/592249927.db2.gz LPLDBGYYNSAVOM-MRXNPFEDSA-N 2 1 346.475 1.762 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(CO)(C(F)(F)F)CC2)cnn1C ZINC000904429038 592253787 /nfs/dbraw/zinc/25/37/87/592253787.db2.gz VBZQRWVUPYAQHZ-ZDUSSCGKSA-N 2 1 348.413 1.483 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000906706890 592279532 /nfs/dbraw/zinc/27/95/32/592279532.db2.gz QRHQKASWOYNYKR-HNAYVOBHSA-N 2 1 344.459 1.145 20 0 EDADMP c1ccc(CN2CCC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903733241 592281863 /nfs/dbraw/zinc/28/18/63/592281863.db2.gz LIOMNSJMYSLXLC-UXHICEINSA-N 2 1 329.488 1.963 20 0 EDADMP c1ccc(C[N@H+]2CCCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903733241 592281865 /nfs/dbraw/zinc/28/18/65/592281865.db2.gz LIOMNSJMYSLXLC-UXHICEINSA-N 2 1 329.488 1.963 20 0 EDADMP c1ccc(C[N@@H+]2CCCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903733241 592281867 /nfs/dbraw/zinc/28/18/67/592281867.db2.gz LIOMNSJMYSLXLC-UXHICEINSA-N 2 1 329.488 1.963 20 0 EDADMP Cc1nc(C[C@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903730300 592287368 /nfs/dbraw/zinc/28/73/68/592287368.db2.gz VGSPHHKHJABEPK-HZPDHXFCSA-N 2 1 334.464 1.791 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@H](C)[N@H+]1CCO ZINC000904594498 592292552 /nfs/dbraw/zinc/29/25/52/592292552.db2.gz DKTZWZFPDSKNDJ-OKILXGFUSA-N 2 1 334.464 1.799 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@H](C)[N@@H+]1CCO ZINC000904594498 592292555 /nfs/dbraw/zinc/29/25/55/592292555.db2.gz DKTZWZFPDSKNDJ-OKILXGFUSA-N 2 1 334.464 1.799 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903739017 592300011 /nfs/dbraw/zinc/30/00/11/592300011.db2.gz AVVDHCVQVMLRHW-SJLPKXTDSA-N 3 1 339.524 1.170 20 0 EDADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000903737618 592300939 /nfs/dbraw/zinc/30/09/39/592300939.db2.gz TXTFTTMEOPRLDU-BXWFABGCSA-N 2 1 345.491 1.910 20 0 EDADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000903737618 592300945 /nfs/dbraw/zinc/30/09/45/592300945.db2.gz TXTFTTMEOPRLDU-BXWFABGCSA-N 2 1 345.491 1.910 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000903757152 592315289 /nfs/dbraw/zinc/31/52/89/592315289.db2.gz YPZMXZDRQFJFAY-HUUCEWRRSA-N 2 1 329.452 1.025 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000903757152 592315294 /nfs/dbraw/zinc/31/52/94/592315294.db2.gz YPZMXZDRQFJFAY-HUUCEWRRSA-N 2 1 329.452 1.025 20 0 EDADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[N@H+](CCC(=O)OC)Cc1ccccc1 ZINC000903793970 592316823 /nfs/dbraw/zinc/31/68/23/592316823.db2.gz LNZVDIOZRQCJMX-SJORKVTESA-N 2 1 348.443 1.593 20 0 EDADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[N@@H+](CCC(=O)OC)Cc1ccccc1 ZINC000903793970 592316829 /nfs/dbraw/zinc/31/68/29/592316829.db2.gz LNZVDIOZRQCJMX-SJORKVTESA-N 2 1 348.443 1.593 20 0 EDADMP COCC[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)CC1CC[NH+](C)CC1 ZINC000903775059 592318381 /nfs/dbraw/zinc/31/83/81/592318381.db2.gz GUITWFRUHBAEAV-MSOLQXFVSA-N 3 1 325.497 1.045 20 0 EDADMP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903819511 592332626 /nfs/dbraw/zinc/33/26/26/592332626.db2.gz JLZAHISVTVLEDU-GOSISDBHSA-N 2 1 348.487 1.888 20 0 EDADMP Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903819511 592332632 /nfs/dbraw/zinc/33/26/32/592332632.db2.gz JLZAHISVTVLEDU-GOSISDBHSA-N 2 1 348.487 1.888 20 0 EDADMP O=C(CN1CCC[C@]12CC[NH2+]C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000903867279 592342305 /nfs/dbraw/zinc/34/23/05/592342305.db2.gz OQGZSLCFNXPXJA-HXUWFJFHSA-N 2 1 342.487 1.159 20 0 EDADMP [NH3+][C@@H](CC(F)F)CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000903893810 592365691 /nfs/dbraw/zinc/36/56/91/592365691.db2.gz ZOPAMPOSDJGISF-GJZGRUSLSA-N 2 1 343.418 1.026 20 0 EDADMP Cc1nc(C[C@@H]2CCC[N@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)no1 ZINC000903892404 592366252 /nfs/dbraw/zinc/36/62/52/592366252.db2.gz RPEMRASVJHBPRU-JKSUJKDBSA-N 2 1 346.479 1.492 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000908192271 592369146 /nfs/dbraw/zinc/36/91/46/592369146.db2.gz WAQXZPYCJVWJGH-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000903909667 592374738 /nfs/dbraw/zinc/37/47/38/592374738.db2.gz WRYPGYQYERWNBJ-IAGOWNOFSA-N 2 1 326.448 1.662 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000903918603 592376267 /nfs/dbraw/zinc/37/62/67/592376267.db2.gz COMYHSYKQSMECF-CRAIPNDOSA-N 2 1 326.448 1.179 20 0 EDADMP CCn1nc(C)c(C[N@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)c1C ZINC000903933930 592386012 /nfs/dbraw/zinc/38/60/12/592386012.db2.gz BESLKOZYFSSSJP-MRXNPFEDSA-N 2 1 332.496 1.811 20 0 EDADMP CCn1nc(C)c(C[N@@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)c1C ZINC000903933930 592386018 /nfs/dbraw/zinc/38/60/18/592386018.db2.gz BESLKOZYFSSSJP-MRXNPFEDSA-N 2 1 332.496 1.811 20 0 EDADMP Cc1c(C[C@H](C[NH3+])CN2CCC(C)([NH+]3CCOCC3)CC2)cnn1C ZINC000903935498 592386098 /nfs/dbraw/zinc/38/60/98/592386098.db2.gz QOWXYMCWJXTIRP-QGZVFWFLSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)C3(O)CCCC3)c2)CCO1 ZINC000905062358 592397533 /nfs/dbraw/zinc/39/75/33/592397533.db2.gz XJMOPKCFXGSEEF-QFBILLFUSA-N 2 1 348.487 1.663 20 0 EDADMP C[C@@H](O)c1ncc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)s1 ZINC000903980304 592400804 /nfs/dbraw/zinc/40/08/04/592400804.db2.gz OHLXXBWAIFDDCQ-YUELXQCFSA-N 2 1 336.505 1.597 20 0 EDADMP C[C@@H](O)c1ncc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)s1 ZINC000903980304 592400807 /nfs/dbraw/zinc/40/08/07/592400807.db2.gz OHLXXBWAIFDDCQ-YUELXQCFSA-N 2 1 336.505 1.597 20 0 EDADMP Cn1ccc([C@H]2CCC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903987398 592405906 /nfs/dbraw/zinc/40/59/06/592405906.db2.gz FKSDFTWUFDVFMJ-LSDHHAIUSA-N 2 1 329.452 1.316 20 0 EDADMP Cn1ccc([C@H]2CCC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903987398 592405909 /nfs/dbraw/zinc/40/59/09/592405909.db2.gz FKSDFTWUFDVFMJ-LSDHHAIUSA-N 2 1 329.452 1.316 20 0 EDADMP Cn1ccc(C2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000903988627 592407324 /nfs/dbraw/zinc/40/73/24/592407324.db2.gz VDNWLMCZKQVIMW-HNNXBMFYSA-N 2 1 329.452 1.316 20 0 EDADMP C[NH+]1CCC2(CCC(NC(=O)C[C@@]3(O)CCC[N@@H+](C)C3)CC2)CC1 ZINC000908491458 592508238 /nfs/dbraw/zinc/50/82/38/592508238.db2.gz OJYNTGLYQVBDJV-IBGZPJMESA-N 2 1 337.508 1.604 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C2 ZINC000905501877 592546169 /nfs/dbraw/zinc/54/61/69/592546169.db2.gz HSIGMZVYNFZELV-IEWDOMPSSA-N 2 1 336.451 1.928 20 0 EDADMP CN(C)c1cc[nH+]c(CNC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000905524194 592560909 /nfs/dbraw/zinc/56/09/09/592560909.db2.gz GIBAUHSGCZIQKE-FQEVSTJZSA-N 2 1 340.471 1.656 20 0 EDADMP Cc1nn(C)c(Cl)c1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841088010 592728664 /nfs/dbraw/zinc/72/86/64/592728664.db2.gz UTHVXLMZGWIPLA-UHFFFAOYSA-N 2 1 325.888 1.688 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)[C@@H](C)C1 ZINC000906217807 592760034 /nfs/dbraw/zinc/76/00/34/592760034.db2.gz WQRCMEWSXMRSKF-JKSUJKDBSA-N 2 1 333.480 1.151 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@H](C)CC)CC2)C1 ZINC000909261557 592788750 /nfs/dbraw/zinc/78/87/50/592788750.db2.gz KPMPAGGBOJWZDC-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@H](C)CC)CC2)C1 ZINC000909261557 592788753 /nfs/dbraw/zinc/78/87/53/592788753.db2.gz KPMPAGGBOJWZDC-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000910876606 592899480 /nfs/dbraw/zinc/89/94/80/592899480.db2.gz XEQLNYJYEQJDIP-KRWDZBQOSA-N 2 1 325.497 1.270 20 0 EDADMP CC(C)[NH+](CCO)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000910876606 592899481 /nfs/dbraw/zinc/89/94/81/592899481.db2.gz XEQLNYJYEQJDIP-KRWDZBQOSA-N 2 1 325.497 1.270 20 0 EDADMP CC(C)[NH+](CCO)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000910876606 592899482 /nfs/dbraw/zinc/89/94/82/592899482.db2.gz XEQLNYJYEQJDIP-KRWDZBQOSA-N 2 1 325.497 1.270 20 0 EDADMP CC[C@H](C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)[NH+](CC)CC ZINC000911837644 593020615 /nfs/dbraw/zinc/02/06/15/593020615.db2.gz DMYJRRXCOSBHPU-PMPSAXMXSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000911881404 593030087 /nfs/dbraw/zinc/03/00/87/593030087.db2.gz RAXKMNJYYNFWBC-ATLSCFEFSA-N 2 1 331.460 1.329 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000911913448 593036296 /nfs/dbraw/zinc/03/62/96/593036296.db2.gz CLLIBIXZGBSAGY-VQTJNVASSA-N 2 1 345.487 1.614 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736856687 593042768 /nfs/dbraw/zinc/04/27/68/593042768.db2.gz LTXSGAWVLZAKAL-KRWDZBQOSA-N 2 1 341.463 1.079 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736856687 593042769 /nfs/dbraw/zinc/04/27/69/593042769.db2.gz LTXSGAWVLZAKAL-KRWDZBQOSA-N 2 1 341.463 1.079 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCc2sccc2C1 ZINC000912239040 593074871 /nfs/dbraw/zinc/07/48/71/593074871.db2.gz NRVFBGQXSDPNIB-OAHLLOKOSA-N 2 1 336.505 1.890 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCc2sccc2C1 ZINC000912239040 593074873 /nfs/dbraw/zinc/07/48/73/593074873.db2.gz NRVFBGQXSDPNIB-OAHLLOKOSA-N 2 1 336.505 1.890 20 0 EDADMP C[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000912239040 593074875 /nfs/dbraw/zinc/07/48/75/593074875.db2.gz NRVFBGQXSDPNIB-OAHLLOKOSA-N 2 1 336.505 1.890 20 0 EDADMP C[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000912239040 593074878 /nfs/dbraw/zinc/07/48/78/593074878.db2.gz NRVFBGQXSDPNIB-OAHLLOKOSA-N 2 1 336.505 1.890 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000912350579 593087986 /nfs/dbraw/zinc/08/79/86/593087986.db2.gz FCFNYRGFFJINHL-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP COC[C@@]1(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)CCC[NH2+]1 ZINC000817975084 593652898 /nfs/dbraw/zinc/65/28/98/593652898.db2.gz QNOASOVYGPLXOL-LRDDRELGSA-N 2 1 340.855 1.810 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC000818038991 593659866 /nfs/dbraw/zinc/65/98/66/593659866.db2.gz NUBMJPJOFHFSGN-HDMKZQKVSA-N 2 1 341.471 1.521 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC000818038991 593659868 /nfs/dbraw/zinc/65/98/68/593659868.db2.gz NUBMJPJOFHFSGN-HDMKZQKVSA-N 2 1 341.471 1.521 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC000818038991 593659870 /nfs/dbraw/zinc/65/98/70/593659870.db2.gz NUBMJPJOFHFSGN-HDMKZQKVSA-N 2 1 341.471 1.521 20 0 EDADMP CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000818167763 593676591 /nfs/dbraw/zinc/67/65/91/593676591.db2.gz VGIABAKQPZRPBW-XHSDSOJGSA-N 2 1 339.480 1.146 20 0 EDADMP CON(C)C(=O)CC[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000818953884 593730131 /nfs/dbraw/zinc/73/01/31/593730131.db2.gz RDBRIKNUXRCDJX-SFHVURJKSA-N 2 1 348.491 1.365 20 0 EDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000818967856 593730951 /nfs/dbraw/zinc/73/09/51/593730951.db2.gz DDEDGUNXIZOYOP-MRXNPFEDSA-N 2 1 337.445 1.308 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000818973355 593731460 /nfs/dbraw/zinc/73/14/60/593731460.db2.gz WDUPZJLIQNPEFO-HIFRSBDPSA-N 2 1 327.469 1.336 20 0 EDADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820127040 593792977 /nfs/dbraw/zinc/79/29/77/593792977.db2.gz HQQRYCPGXAJDED-QGZVFWFLSA-N 2 1 344.463 1.705 20 0 EDADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820127040 593792978 /nfs/dbraw/zinc/79/29/78/593792978.db2.gz HQQRYCPGXAJDED-QGZVFWFLSA-N 2 1 344.463 1.705 20 0 EDADMP C[NH+]1CCN(CCCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821626930 593887917 /nfs/dbraw/zinc/88/79/17/593887917.db2.gz GEZVHRWQSQYDSA-UHFFFAOYSA-N 2 1 335.481 1.045 20 0 EDADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1-c1nn[nH]n1 ZINC000821808362 593945008 /nfs/dbraw/zinc/94/50/08/593945008.db2.gz FKTDSTYZLKSTEK-ZDUSSCGKSA-N 2 1 328.420 1.449 20 0 EDADMP Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000822192068 594006009 /nfs/dbraw/zinc/00/60/09/594006009.db2.gz YAVPQJXFZJDGJK-KGLIPLIRSA-N 2 1 327.436 1.799 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC000825851328 594262545 /nfs/dbraw/zinc/26/25/45/594262545.db2.gz WDRPNXVTWOIOIG-ZACQAIPSSA-N 2 1 342.447 1.550 20 0 EDADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000829578362 594644273 /nfs/dbraw/zinc/64/42/73/594644273.db2.gz DGEAMEDCLUSNCG-QGZVFWFLSA-N 2 1 338.540 1.449 20 0 EDADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000829584248 594645309 /nfs/dbraw/zinc/64/53/09/594645309.db2.gz XGCPJUVORRDYOW-GOSISDBHSA-N 2 1 336.524 1.203 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827430501 594671342 /nfs/dbraw/zinc/67/13/42/594671342.db2.gz QJEMBEBIFRAXGL-INIZCTEOSA-N 2 1 347.507 1.635 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CC[NH+](C)C2)CCOCC1 ZINC000831595339 594686238 /nfs/dbraw/zinc/68/62/38/594686238.db2.gz RGYCJLZSQCIVPA-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC000831595339 594686239 /nfs/dbraw/zinc/68/62/39/594686239.db2.gz RGYCJLZSQCIVPA-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC000831595339 594686240 /nfs/dbraw/zinc/68/62/40/594686240.db2.gz RGYCJLZSQCIVPA-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP CCO[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C[NH+](C)C ZINC000831745587 594698781 /nfs/dbraw/zinc/69/87/81/594698781.db2.gz TVBOTESRDIOWEK-WBVHZDCISA-N 2 1 325.497 1.724 20 0 EDADMP CCO[C@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)C[NH+](C)C ZINC000831752334 594699493 /nfs/dbraw/zinc/69/94/93/594699493.db2.gz XTEPYGOVLQNBHP-CRAIPNDOSA-N 2 1 333.476 1.516 20 0 EDADMP CCO[C@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)C[NH+](C)C ZINC000831752334 594699494 /nfs/dbraw/zinc/69/94/94/594699494.db2.gz XTEPYGOVLQNBHP-CRAIPNDOSA-N 2 1 333.476 1.516 20 0 EDADMP Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841069818 594847331 /nfs/dbraw/zinc/84/73/31/594847331.db2.gz DQWHFOXRYRORLJ-LLVKDONJSA-N 2 1 339.793 1.308 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000841327206 594885402 /nfs/dbraw/zinc/88/54/02/594885402.db2.gz FBDWZYXCRFTKPG-HOTGVXAUSA-N 2 1 346.431 1.153 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)[NH+]1CCCCC1 ZINC000841726861 594943946 /nfs/dbraw/zinc/94/39/46/594943946.db2.gz VIEHPJINIVLDDD-WBVHZDCISA-N 2 1 331.464 1.612 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCCC[NH2+]C1CC1 ZINC000841726345 594944163 /nfs/dbraw/zinc/94/41/63/594944163.db2.gz JHSFOQDAZUDJRE-UHFFFAOYSA-N 2 1 328.420 1.517 20 0 EDADMP C[C@@]1(CNC(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841898921 594977341 /nfs/dbraw/zinc/97/73/41/594977341.db2.gz QNTBRWALGZGATF-HKUYNNGSSA-N 2 1 346.475 1.186 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843258889 595055261 /nfs/dbraw/zinc/05/52/61/595055261.db2.gz DBXVQYZSFNSGIA-XHSDSOJGSA-N 2 1 340.512 1.104 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)o1 ZINC000843387159 595096547 /nfs/dbraw/zinc/09/65/47/595096547.db2.gz OYPFRJAQYSDFLR-UHFFFAOYSA-N 2 1 327.450 1.105 20 0 EDADMP Cc1cc2oc(=O)cc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)c2cc1C ZINC000843385550 595096772 /nfs/dbraw/zinc/09/67/72/595096772.db2.gz PGSXCDLRZWHHER-QGZVFWFLSA-N 2 1 341.455 1.889 20 0 EDADMP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)cc1Cl ZINC000843062421 595277657 /nfs/dbraw/zinc/27/76/57/595277657.db2.gz PMUDBCQQURJHKH-MRXNPFEDSA-N 2 1 330.831 1.949 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846672885 595298152 /nfs/dbraw/zinc/29/81/52/595298152.db2.gz MMLXYNGEMLWDFJ-CVEARBPZSA-N 2 1 325.416 1.723 20 0 EDADMP OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848535521 595403510 /nfs/dbraw/zinc/40/35/10/595403510.db2.gz DEIRWUUDSZYCOU-XUVXKRRUSA-N 2 1 348.487 1.704 20 0 EDADMP Brc1cnn(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000848550231 595404545 /nfs/dbraw/zinc/40/45/45/595404545.db2.gz GVJXJKBLEKEGCE-AWEZNQCLSA-N 2 1 343.269 1.489 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000849065098 595476951 /nfs/dbraw/zinc/47/69/51/595476951.db2.gz OPDFKMZHBCNETF-ZBFHGGJFSA-N 2 1 349.454 1.068 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(SC)CC[NH+](C)CC1 ZINC000849085135 595479803 /nfs/dbraw/zinc/47/98/03/595479803.db2.gz ZBHANFCRDACBKW-AWEZNQCLSA-N 3 1 327.542 1.412 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nccc(C(F)(F)F)n1 ZINC000849116092 595484640 /nfs/dbraw/zinc/48/46/40/595484640.db2.gz KEAWUROQPGAORK-SNVBAGLBSA-N 2 1 330.358 1.594 20 0 EDADMP C[NH+](C)CCNC(=S)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000849291842 595502685 /nfs/dbraw/zinc/50/26/85/595502685.db2.gz JJSNDONPWVFNLB-KRWDZBQOSA-N 2 1 334.533 1.671 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849579932 595580263 /nfs/dbraw/zinc/58/02/63/595580263.db2.gz SWOFHHSGTMPYBW-IAGOWNOFSA-N 2 1 333.480 1.008 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849579932 595580266 /nfs/dbraw/zinc/58/02/66/595580266.db2.gz SWOFHHSGTMPYBW-IAGOWNOFSA-N 2 1 333.480 1.008 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849579932 595580270 /nfs/dbraw/zinc/58/02/70/595580270.db2.gz SWOFHHSGTMPYBW-IAGOWNOFSA-N 2 1 333.480 1.008 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC(C[NH+](C)C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849596636 595586355 /nfs/dbraw/zinc/58/63/55/595586355.db2.gz AWOZNVIGSNLRPD-ZWKOTPCHSA-N 2 1 347.507 1.254 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849612222 595596523 /nfs/dbraw/zinc/59/65/23/595596523.db2.gz GXQHVZKTDQSJOE-XIRDDKMYSA-N 2 1 335.496 1.300 20 0 EDADMP CCC1(CC)CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000853563082 595805181 /nfs/dbraw/zinc/80/51/81/595805181.db2.gz KGFHYWSXNZEXPV-UHFFFAOYSA-N 2 1 336.480 1.862 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC(OC)OC)CC2)CC1 ZINC000851765539 595914430 /nfs/dbraw/zinc/91/44/30/595914430.db2.gz VSDHYPQMKGWZQF-UHFFFAOYSA-N 2 1 341.496 1.262 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000851913736 595971413 /nfs/dbraw/zinc/97/14/13/595971413.db2.gz YWKKPQOWRSCFMY-JYJNAYRXSA-N 2 1 343.512 1.923 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000851913736 595971415 /nfs/dbraw/zinc/97/14/15/595971415.db2.gz YWKKPQOWRSCFMY-JYJNAYRXSA-N 2 1 343.512 1.923 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000851913736 595971416 /nfs/dbraw/zinc/97/14/16/595971416.db2.gz YWKKPQOWRSCFMY-JYJNAYRXSA-N 2 1 343.512 1.923 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000851913736 595971419 /nfs/dbraw/zinc/97/14/19/595971419.db2.gz YWKKPQOWRSCFMY-JYJNAYRXSA-N 2 1 343.512 1.923 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCO1 ZINC000856431577 595989138 /nfs/dbraw/zinc/98/91/38/595989138.db2.gz SXDTVPJZKNYAKD-MAUKXSAKSA-N 2 1 343.487 1.768 20 0 EDADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000866665255 596284545 /nfs/dbraw/zinc/28/45/45/596284545.db2.gz AQDXQVZVRSPJMW-RTBURBONSA-N 2 1 344.503 1.716 20 0 EDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000866705293 596301058 /nfs/dbraw/zinc/30/10/58/596301058.db2.gz XHQFIRGWIOKIRB-CYBMUJFWSA-N 2 1 338.374 1.071 20 0 EDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000866705293 596301061 /nfs/dbraw/zinc/30/10/61/596301061.db2.gz XHQFIRGWIOKIRB-CYBMUJFWSA-N 2 1 338.374 1.071 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000866709591 596304450 /nfs/dbraw/zinc/30/44/50/596304450.db2.gz LEARPUKWUVOVPN-RYQLBKOJSA-N 2 1 345.443 1.713 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000866714234 596306314 /nfs/dbraw/zinc/30/63/14/596306314.db2.gz JFJJCROFAKVODU-OKZBNKHCSA-N 2 1 327.428 1.542 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)Cc2cn3cc(F)ccc3n2)C[C@@H]1C ZINC000869078517 596400725 /nfs/dbraw/zinc/40/07/25/596400725.db2.gz XZBVRIZLHOYPQG-OKILXGFUSA-N 2 1 348.422 1.584 20 0 EDADMP COCCN1[C@H](C)CN(C(=O)Cc2cn3cc(F)ccc3n2)C[C@@H]1C ZINC000869078517 596400726 /nfs/dbraw/zinc/40/07/26/596400726.db2.gz XZBVRIZLHOYPQG-OKILXGFUSA-N 2 1 348.422 1.584 20 0 EDADMP CCOC1CC2(C[C@H]2C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000864984585 596435662 /nfs/dbraw/zinc/43/56/62/596435662.db2.gz XELBLTNWJJFVNJ-HVEKOLDVSA-N 2 1 344.459 1.977 20 0 EDADMP C[NH+](C)C1(C)CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000871358588 596542294 /nfs/dbraw/zinc/54/22/94/596542294.db2.gz YUJUNFZMTFDSJW-UHFFFAOYSA-N 2 1 325.497 1.868 20 0 EDADMP C[N@@H+](CC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2)[C@@H]1CCSC1 ZINC000869815559 596647256 /nfs/dbraw/zinc/64/72/56/596647256.db2.gz QDSCTLJIHIZAIW-QGZVFWFLSA-N 2 1 345.512 1.768 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc([C@@H](F)[C@H]4CC[NH2+]C4)n3)cn2)CC1 ZINC000863669333 596651800 /nfs/dbraw/zinc/65/18/00/596651800.db2.gz VFLNGCXHUWIFKY-WFASDCNBSA-N 2 1 346.410 1.504 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc([C@H](F)[C@H]4CC[NH2+]C4)n3)cn2)CC1 ZINC000863669332 596651817 /nfs/dbraw/zinc/65/18/17/596651817.db2.gz VFLNGCXHUWIFKY-SWLSCSKDSA-N 2 1 346.410 1.504 20 0 EDADMP C[C@H](CNC(=O)/C=C\CN1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000865696447 596652573 /nfs/dbraw/zinc/65/25/73/596652573.db2.gz DIYJLDYYGTTYPD-UXHZXRBQSA-N 2 1 331.460 1.512 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH2+]CC1 ZINC000868011823 596653897 /nfs/dbraw/zinc/65/38/97/596653897.db2.gz YGUJTJKWHJJDOA-MAUKXSAKSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH2+]CC1 ZINC000868011823 596653899 /nfs/dbraw/zinc/65/38/99/596653899.db2.gz YGUJTJKWHJJDOA-MAUKXSAKSA-N 2 1 331.460 1.392 20 0 EDADMP O=C1CC[C@@H]([NH+]2CCN(c3cc[nH+]cc3C(F)(F)F)CC2)CCN1 ZINC000865860875 596703841 /nfs/dbraw/zinc/70/38/41/596703841.db2.gz KWFIDXGUJUCZNL-GFCCVEGCSA-N 2 1 342.365 1.891 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NOCCC(F)(F)F ZINC000119689827 596709047 /nfs/dbraw/zinc/70/90/47/596709047.db2.gz LMWIXCWXFLJWMN-UHFFFAOYSA-N 2 1 340.390 1.538 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NOCCC(F)(F)F ZINC000119689827 596709048 /nfs/dbraw/zinc/70/90/48/596709048.db2.gz LMWIXCWXFLJWMN-UHFFFAOYSA-N 2 1 340.390 1.538 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@H+]1C ZINC000868237800 596740216 /nfs/dbraw/zinc/74/02/16/596740216.db2.gz NDSGIIZVYVZDAK-VDNDLQMASA-N 2 1 344.459 1.381 20 0 EDADMP CS[C@H]1C[C@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000868287805 596767740 /nfs/dbraw/zinc/76/77/40/596767740.db2.gz LSFJXTFMMPLAOC-UMVBOHGHSA-N 2 1 326.510 1.348 20 0 EDADMP CC(C)(C)S(=O)(=O)CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000872144046 596809426 /nfs/dbraw/zinc/80/94/26/596809426.db2.gz ARTXJTPCGHBZPH-BZUAXINKSA-N 2 1 346.537 1.951 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)C1)[C@@H]1CCC[NH2+]1 ZINC000872143689 596809461 /nfs/dbraw/zinc/80/94/61/596809461.db2.gz POVMSXUDIQMUIZ-ZBFHGGJFSA-N 2 1 346.475 1.634 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1)[C@@H]1CCC[NH2+]1 ZINC000872143689 596809463 /nfs/dbraw/zinc/80/94/63/596809463.db2.gz POVMSXUDIQMUIZ-ZBFHGGJFSA-N 2 1 346.475 1.634 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](CCc2nnnn2-c2ccccc2)C[C@H]1C(F)(F)F ZINC000872151607 596813264 /nfs/dbraw/zinc/81/32/64/596813264.db2.gz WQLKQGLPSNRSRY-WCQYABFASA-N 2 1 340.353 1.274 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CCc2nnnn2-c2ccccc2)C[C@H]1C(F)(F)F ZINC000872151607 596813267 /nfs/dbraw/zinc/81/32/67/596813267.db2.gz WQLKQGLPSNRSRY-WCQYABFASA-N 2 1 340.353 1.274 20 0 EDADMP CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156187 596815829 /nfs/dbraw/zinc/81/58/29/596815829.db2.gz GAQCZOJMDPXHBM-RDJZCZTQSA-N 2 1 345.553 1.888 20 0 EDADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257378 596857427 /nfs/dbraw/zinc/85/74/27/596857427.db2.gz QMCRQASOKSZQMR-OWLYRPNTSA-N 2 1 329.444 1.732 20 0 EDADMP C(C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)C1CCCC1)[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000872319498 596880283 /nfs/dbraw/zinc/88/02/83/596880283.db2.gz IFJMROAATTYESW-FGYAAKKASA-N 2 1 334.504 1.949 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000874252913 596986618 /nfs/dbraw/zinc/98/66/18/596986618.db2.gz HDBSBTAPZYBPFE-MSOLQXFVSA-N 2 1 331.460 1.140 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000874252913 596986622 /nfs/dbraw/zinc/98/66/22/596986622.db2.gz HDBSBTAPZYBPFE-MSOLQXFVSA-N 2 1 331.460 1.140 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000874252913 596986624 /nfs/dbraw/zinc/98/66/24/596986624.db2.gz HDBSBTAPZYBPFE-MSOLQXFVSA-N 2 1 331.460 1.140 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000874365653 597036999 /nfs/dbraw/zinc/03/69/99/597036999.db2.gz RUXLTZKAPREFGW-DLBZAZTESA-N 2 1 344.459 1.382 20 0 EDADMP CC[C@H]1COCCN1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000874702876 597146984 /nfs/dbraw/zinc/14/69/84/597146984.db2.gz OYLITUQCEUYPJQ-ROUUACIJSA-N 2 1 346.475 1.273 20 0 EDADMP CC[C@H]1COCCN1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000874702876 597146987 /nfs/dbraw/zinc/14/69/87/597146987.db2.gz OYLITUQCEUYPJQ-ROUUACIJSA-N 2 1 346.475 1.273 20 0 EDADMP CCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CCS(=O)(=O)C1 ZINC000873201769 597225286 /nfs/dbraw/zinc/22/52/86/597225286.db2.gz WKLZAFNZTXLVED-ZDUSSCGKSA-N 2 1 328.503 1.793 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC[C@@H](C(F)(F)F)O1 ZINC000873228506 597234315 /nfs/dbraw/zinc/23/43/15/597234315.db2.gz FHASRNCRVGBSCS-UPJWGTAASA-N 2 1 337.386 1.225 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873228554 597235009 /nfs/dbraw/zinc/23/50/09/597235009.db2.gz GGMCAZDASANUTR-MAUKXSAKSA-N 2 1 334.464 1.493 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873228554 597235015 /nfs/dbraw/zinc/23/50/15/597235015.db2.gz GGMCAZDASANUTR-MAUKXSAKSA-N 2 1 334.464 1.493 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)/C=C\[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000876737864 597314774 /nfs/dbraw/zinc/31/47/74/597314774.db2.gz VABHPTLASVQXLP-RWXIQHKWSA-N 2 1 335.492 1.642 20 0 EDADMP CC[NH+]1CCN(c2ccc(NCc3c[nH+]c(N)nc3N)cc2)CC1 ZINC000876820153 597351980 /nfs/dbraw/zinc/35/19/80/597351980.db2.gz LJEWIHHHJBPPOG-UHFFFAOYSA-N 2 1 327.436 1.395 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000877053751 597423236 /nfs/dbraw/zinc/42/32/36/597423236.db2.gz AQGXCUYQPDOTLN-OAHLLOKOSA-N 2 1 328.403 1.823 20 0 EDADMP Cc1ccccc1[C@H](N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877143585 597442004 /nfs/dbraw/zinc/44/20/04/597442004.db2.gz SHXPWOZJOONUCZ-NUJGCVRESA-N 2 1 332.492 1.193 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000877153600 597444618 /nfs/dbraw/zinc/44/46/18/597444618.db2.gz ILLPRKLUSLMLHS-INIZCTEOSA-N 2 1 347.507 1.527 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C2 ZINC000877374644 597504137 /nfs/dbraw/zinc/50/41/37/597504137.db2.gz MEWZLJCFUTXRCG-YQVWRLOYSA-N 2 1 345.512 1.844 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000877451221 597517397 /nfs/dbraw/zinc/51/73/97/597517397.db2.gz KQFMXDILALVGSW-LSDHHAIUSA-N 2 1 334.489 1.919 20 0 EDADMP COCC[N@H+](Cc1cc(C(=O)OC)n(C)c1)CC1CC[NH+](C)CC1 ZINC000877664730 597545974 /nfs/dbraw/zinc/54/59/74/597545974.db2.gz UUWLNQWSKYPVNH-UHFFFAOYSA-N 2 1 337.464 1.602 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3C[C@@H](OC)C3)CC2)CC1 ZINC000878089850 597577409 /nfs/dbraw/zinc/57/74/09/597577409.db2.gz ORWXAVJRIZCXEO-HDICACEKSA-N 2 1 337.508 1.678 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@@H](O)C(C)C)CC2)CC1 ZINC000878090620 597577484 /nfs/dbraw/zinc/57/74/84/597577484.db2.gz ZHNIQPRPUVWDRE-GOSISDBHSA-N 2 1 339.524 1.660 20 0 EDADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878114941 597579627 /nfs/dbraw/zinc/57/96/27/597579627.db2.gz AMVILJKZGRRSAM-UHFFFAOYSA-N 2 1 342.484 1.043 20 0 EDADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000878123840 597580071 /nfs/dbraw/zinc/58/00/71/597580071.db2.gz ACHMKQGXFSMDEJ-NXHRZFHOSA-N 2 1 337.508 1.722 20 0 EDADMP CN(CC[N@@H+](C)C[C@@H](O)C[C@@H](O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000878311711 597594684 /nfs/dbraw/zinc/59/46/84/597594684.db2.gz VMAUSIFYDXOROM-VQTJNVASSA-N 2 1 349.519 1.429 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)[C@@H]1CCSC1 ZINC000881473865 597630967 /nfs/dbraw/zinc/63/09/67/597630967.db2.gz BHQOAWCRFIQVLH-JKSUJKDBSA-N 2 1 341.521 1.183 20 0 EDADMP CCC1([NH+]2CCCCC2)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000881627088 597663495 /nfs/dbraw/zinc/66/34/95/597663495.db2.gz WLLBHYWODAYNQX-UHFFFAOYSA-N 2 1 337.508 1.966 20 0 EDADMP COC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCCOC1 ZINC000883190242 597681998 /nfs/dbraw/zinc/68/19/98/597681998.db2.gz YGZZJSSVTZBJAW-NJAFHUGGSA-N 2 1 326.481 1.661 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)C(C)C ZINC000883289686 597701487 /nfs/dbraw/zinc/70/14/87/597701487.db2.gz XAQHNJYZQUOCQY-QGZVFWFLSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)CC[N@H+]1C ZINC000883456796 597755615 /nfs/dbraw/zinc/75/56/15/597755615.db2.gz JKEDWIPYLGXYMN-OIISXLGYSA-N 2 1 338.496 1.412 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CCOCC3)CCO1 ZINC000879001535 597781151 /nfs/dbraw/zinc/78/11/51/597781151.db2.gz ZVAMINIEOQCGSR-IAGOWNOFSA-N 2 1 326.481 1.615 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CCOCC3)CCO1 ZINC000879001535 597781152 /nfs/dbraw/zinc/78/11/52/597781152.db2.gz ZVAMINIEOQCGSR-IAGOWNOFSA-N 2 1 326.481 1.615 20 0 EDADMP CC(=O)Nc1ccc2c(c1)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000880030903 597816270 /nfs/dbraw/zinc/81/62/70/597816270.db2.gz FYZRZZYYIFVFKS-UHFFFAOYSA-N 2 1 344.459 1.167 20 0 EDADMP CC(=O)Nc1ccc2c(c1)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000880030903 597816273 /nfs/dbraw/zinc/81/62/73/597816273.db2.gz FYZRZZYYIFVFKS-UHFFFAOYSA-N 2 1 344.459 1.167 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879247010 597863539 /nfs/dbraw/zinc/86/35/39/597863539.db2.gz ZWIINIGOYFZWBJ-HKUYNNGSSA-N 2 1 331.460 1.395 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000889333299 597941978 /nfs/dbraw/zinc/94/19/78/597941978.db2.gz ZVYDYQLLOAIHJJ-SOUVJXGZSA-N 2 1 328.526 1.263 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000889333299 597941980 /nfs/dbraw/zinc/94/19/80/597941980.db2.gz ZVYDYQLLOAIHJJ-SOUVJXGZSA-N 2 1 328.526 1.263 20 0 EDADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000884319554 598064782 /nfs/dbraw/zinc/06/47/82/598064782.db2.gz XTUAYGMTWSBXCP-HNNXBMFYSA-N 2 1 327.513 1.813 20 0 EDADMP C[C@H](CCNC(=O)C(=O)NCCC(C)(C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000884510365 598124748 /nfs/dbraw/zinc/12/47/48/598124748.db2.gz DYNOVOFYHUMYHI-OAHLLOKOSA-N 2 1 348.491 1.257 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000914183498 695261060 /nfs/dbraw/zinc/26/10/60/695261060.db2.gz XFCDXVJCHZBLQM-NVXWUHKLSA-N 2 1 340.512 1.515 20 0 EDADMP CCc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)nc(C)[nH+]1 ZINC001060476510 695406969 /nfs/dbraw/zinc/40/69/69/695406969.db2.gz VTHQXNVMYRDVDM-WDPJMHHHSA-N 2 1 343.475 1.096 20 0 EDADMP CCc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)nc(C)[nH+]1 ZINC001060476510 695406970 /nfs/dbraw/zinc/40/69/70/695406970.db2.gz VTHQXNVMYRDVDM-WDPJMHHHSA-N 2 1 343.475 1.096 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCC[N@H+]1CCCO ZINC000993800684 696377799 /nfs/dbraw/zinc/37/77/99/696377799.db2.gz AGFWXBCYLZACGI-VQIMIIECSA-N 2 1 347.503 1.756 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000993925979 696445969 /nfs/dbraw/zinc/44/59/69/696445969.db2.gz JAHFWZJYJCTVAD-QAPCUYQASA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1Cc1cnn(C)c1 ZINC000993925979 696445972 /nfs/dbraw/zinc/44/59/72/696445972.db2.gz JAHFWZJYJCTVAD-QAPCUYQASA-N 2 1 347.507 1.621 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994253970 696656717 /nfs/dbraw/zinc/65/67/17/696656717.db2.gz OVDJQGHXJHFOBP-NVXWUHKLSA-N 2 1 345.491 1.293 20 0 EDADMP CCn1nnc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000940008575 700110330 /nfs/dbraw/zinc/11/03/30/700110330.db2.gz ULFRAHOEENYNCK-HNNXBMFYSA-N 2 1 348.495 1.171 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)oc1C ZINC000940008413 700110397 /nfs/dbraw/zinc/11/03/97/700110397.db2.gz MREDETLRHNJLJH-HNNXBMFYSA-N 2 1 334.464 1.856 20 0 EDADMP CO[C@H](Cc1ccccc1)CN1CC(NC(=O)CN2CCCC2)C1 ZINC001031389275 697009625 /nfs/dbraw/zinc/00/96/25/697009625.db2.gz JQNZIOGBEJHCHW-GOSISDBHSA-N 2 1 331.460 1.140 20 0 EDADMP COCc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001031579641 697275094 /nfs/dbraw/zinc/27/50/94/697275094.db2.gz IXMKNWDRHVDNOV-SFHVURJKSA-N 2 1 331.460 1.475 20 0 EDADMP CC(=O)Nc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001031580862 697278506 /nfs/dbraw/zinc/27/85/06/697278506.db2.gz XHMUESSMSIRQPM-GOSISDBHSA-N 2 1 344.459 1.287 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000924021138 697288316 /nfs/dbraw/zinc/28/83/16/697288316.db2.gz KJMSDTYWALIAPV-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@H]3CCCc4ccccc43)C2)C1 ZINC001031596109 697296142 /nfs/dbraw/zinc/29/61/42/697296142.db2.gz GPOKXLPNHNVVKR-OALUTQOASA-N 2 1 343.471 1.443 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@H]3CCCc4ccccc43)C2)C1 ZINC001031596109 697296143 /nfs/dbraw/zinc/29/61/43/697296143.db2.gz GPOKXLPNHNVVKR-OALUTQOASA-N 2 1 343.471 1.443 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001031665725 697446325 /nfs/dbraw/zinc/44/63/25/697446325.db2.gz FPCYWRRNVSAVPS-LJQANCHMSA-N 2 1 345.487 1.600 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668582 697461297 /nfs/dbraw/zinc/46/12/97/697461297.db2.gz KLHKFPXYDOPKEP-IEBWSBKVSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668582 697461298 /nfs/dbraw/zinc/46/12/98/697461298.db2.gz KLHKFPXYDOPKEP-IEBWSBKVSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1cnc([C@@H](C)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001031681320 697504448 /nfs/dbraw/zinc/50/44/48/697504448.db2.gz MTQHKTGOTLYKIX-IIAWOOMASA-N 2 1 331.464 1.234 20 0 EDADMP Cc1ccc(NCCNC(=O)NC[C@]2([NH+](C)C)CCSC2)[nH+]c1 ZINC000921312177 697554920 /nfs/dbraw/zinc/55/49/20/697554920.db2.gz RLNKOUWFKUFEHU-MRXNPFEDSA-N 2 1 337.493 1.538 20 0 EDADMP CC[N@H+]1C[C@H](C)[C@H](NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000921406546 697594823 /nfs/dbraw/zinc/59/48/23/697594823.db2.gz KOWGEZWKMGSTRW-USXIJHARSA-N 2 1 333.480 1.714 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnccc2C)C1 ZINC001031711011 697715583 /nfs/dbraw/zinc/71/55/83/697715583.db2.gz BOWPHMXPDIFHCE-GOSISDBHSA-N 2 1 330.476 1.812 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnccc2C)C1 ZINC001031711011 697715585 /nfs/dbraw/zinc/71/55/85/697715585.db2.gz BOWPHMXPDIFHCE-GOSISDBHSA-N 2 1 330.476 1.812 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001031713749 697735580 /nfs/dbraw/zinc/73/55/80/697735580.db2.gz DXRXGQRPSQAGSC-SFHVURJKSA-N 2 1 337.508 1.726 20 0 EDADMP CC[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1)OC ZINC001031729621 698055575 /nfs/dbraw/zinc/05/55/75/698055575.db2.gz RDBZVVXQZSSERG-SJORKVTESA-N 2 1 325.497 1.437 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC000995038069 700196295 /nfs/dbraw/zinc/19/62/95/700196295.db2.gz PRSFLBYGFXUZCS-OLZOCXBDSA-N 2 1 334.449 1.118 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnccc2C)C1 ZINC000995037085 700203417 /nfs/dbraw/zinc/20/34/17/700203417.db2.gz MPIVSTGUWLDGBE-AEFFLSMTSA-N 2 1 341.459 1.970 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943517071 698431034 /nfs/dbraw/zinc/43/10/34/698431034.db2.gz OACXDAYBWOFMDF-MAUKXSAKSA-N 2 1 333.476 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCN(C2C[NH+](CCC(C)C)C2)CC1 ZINC000941490353 701557258 /nfs/dbraw/zinc/55/72/58/701557258.db2.gz ZREOJRPBQMIEKO-UHFFFAOYSA-N 2 1 333.480 1.066 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)c(C)o1 ZINC000939137047 699223421 /nfs/dbraw/zinc/22/34/21/699223421.db2.gz DOWWINCDCSOUSI-DYVFJYSZSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)c(C)o1 ZINC000939137047 699223423 /nfs/dbraw/zinc/22/34/23/699223423.db2.gz DOWWINCDCSOUSI-DYVFJYSZSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1cncc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000939319469 699497744 /nfs/dbraw/zinc/49/77/44/699497744.db2.gz ITTBVGBPTGVCCS-WMZOPIPTSA-N 2 1 346.475 1.049 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1[NH2+]Cc1ccon1 ZINC000939316843 699506877 /nfs/dbraw/zinc/50/68/77/699506877.db2.gz SVWOITIANGBCQT-KSSFIOAISA-N 2 1 342.443 1.987 20 0 EDADMP CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941604421 701593800 /nfs/dbraw/zinc/59/38/00/701593800.db2.gz ZIYSRWCRZICABS-SJLPKXTDSA-N 2 1 334.508 1.242 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ncccn3)[C@@H](C)C2)CC1 ZINC000939453270 699599528 /nfs/dbraw/zinc/59/95/28/699599528.db2.gz HHDAGYQFQCGJRN-RDJZCZTQSA-N 2 1 345.491 1.534 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)c(C)o1 ZINC000939552283 699701954 /nfs/dbraw/zinc/70/19/54/699701954.db2.gz XEECVZYGKQBHSA-BLLLJJGKSA-N 2 1 332.448 1.324 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000939749676 699896851 /nfs/dbraw/zinc/89/68/51/699896851.db2.gz WXIZGWLXEUHSOP-CXAGYDPISA-N 2 1 330.407 1.967 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000939753765 699903372 /nfs/dbraw/zinc/90/33/72/699903372.db2.gz IQUJETVAAQWSRB-SUMWQHHRSA-N 2 1 330.407 1.967 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCN(C2C[NH+](CC3CC(C)C3)C2)CC1 ZINC000941668052 701622291 /nfs/dbraw/zinc/62/22/91/701622291.db2.gz DPAGHGGWYKLULD-UHFFFAOYSA-N 2 1 345.491 1.066 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)no1 ZINC000940149419 700282320 /nfs/dbraw/zinc/28/23/20/700282320.db2.gz LENJXZNLZOUPIX-INIZCTEOSA-N 2 1 349.479 1.443 20 0 EDADMP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1)[NH+](C)C ZINC000940176264 700308234 /nfs/dbraw/zinc/30/82/34/700308234.db2.gz BWHSMJIQACPPHM-CYBMUJFWSA-N 2 1 325.482 1.349 20 0 EDADMP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000940179280 700313367 /nfs/dbraw/zinc/31/33/67/700313367.db2.gz SPALUYPBQNGUMK-MRXNPFEDSA-N 2 1 347.507 1.858 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000940211564 700377423 /nfs/dbraw/zinc/37/74/23/700377423.db2.gz HRZHSIPWQOEMKY-IAGOWNOFSA-N 2 1 348.491 1.977 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccon3)CC2)CC[N@H+]1C ZINC000940282249 700471242 /nfs/dbraw/zinc/47/12/42/700471242.db2.gz KOMOBZKLVYGJDQ-GJZGRUSLSA-N 2 1 334.464 1.876 20 0 EDADMP Cc1conc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000940329759 700509441 /nfs/dbraw/zinc/50/94/41/700509441.db2.gz YLKJKRHOIJRPRG-AWEZNQCLSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000940329674 700509569 /nfs/dbraw/zinc/50/95/69/700509569.db2.gz WMMCXLIDSGFOIY-CQSZACIVSA-N 2 1 334.464 1.938 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1 ZINC000940363936 700544806 /nfs/dbraw/zinc/54/48/06/700544806.db2.gz MJQNHMPNBBFYLY-MRXNPFEDSA-N 2 1 349.479 1.803 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000940426065 700619603 /nfs/dbraw/zinc/61/96/03/700619603.db2.gz DNVSZUPWPVSEMV-HNNXBMFYSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940426036 700619706 /nfs/dbraw/zinc/61/97/06/700619706.db2.gz CSLZGCMDQUCAEP-HNNXBMFYSA-N 2 1 334.464 1.796 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncnn2C)CC1 ZINC000940472770 700658051 /nfs/dbraw/zinc/65/80/51/700658051.db2.gz WWFHCYZZAAEUJT-HNNXBMFYSA-N 2 1 348.495 1.160 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940620713 700781611 /nfs/dbraw/zinc/78/16/11/700781611.db2.gz JGHNARSTVZDXJO-CVEARBPZSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940620713 700781614 /nfs/dbraw/zinc/78/16/14/700781614.db2.gz JGHNARSTVZDXJO-CVEARBPZSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940620713 700781616 /nfs/dbraw/zinc/78/16/16/700781616.db2.gz JGHNARSTVZDXJO-CVEARBPZSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(CNC[C@@H]2CC[C@H](NC(=O)Cc3c[nH]cn3)C2)c(C)o1 ZINC000995105271 700919529 /nfs/dbraw/zinc/91/95/29/700919529.db2.gz FLSVXUUPPCASFC-KGLIPLIRSA-N 2 1 331.420 1.632 20 0 EDADMP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CCCO)CC2(C)C)cn1 ZINC000940836962 700934744 /nfs/dbraw/zinc/93/47/44/700934744.db2.gz PGSHRBIXEUEZIP-HNNXBMFYSA-N 2 1 336.480 1.526 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCCO2)CC1(C)C ZINC000940894059 700963813 /nfs/dbraw/zinc/96/38/13/700963813.db2.gz WDLUWOFKLKSEFE-IAGOWNOFSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)CC1(C)C ZINC000940894059 700963814 /nfs/dbraw/zinc/96/38/14/700963814.db2.gz WDLUWOFKLKSEFE-IAGOWNOFSA-N 2 1 348.491 1.977 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3c(C)noc3C)C2)C1 ZINC001031918709 701036862 /nfs/dbraw/zinc/03/68/62/701036862.db2.gz SQRWTMGJESXMOT-QGZVFWFLSA-N 2 1 348.491 1.961 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3c(C)noc3C)C2)C1 ZINC001031918709 701036864 /nfs/dbraw/zinc/03/68/64/701036864.db2.gz SQRWTMGJESXMOT-QGZVFWFLSA-N 2 1 348.491 1.961 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000940990861 701044006 /nfs/dbraw/zinc/04/40/06/701044006.db2.gz CFRPHNUPNCKSHK-HNNXBMFYSA-N 2 1 337.464 1.818 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)cc1 ZINC001031919571 701048610 /nfs/dbraw/zinc/04/86/10/701048610.db2.gz DPNWELBCTMKWKW-IBGZPJMESA-N 2 1 345.487 1.652 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CCCO)CC2(C)C)C1 ZINC000941027523 701067359 /nfs/dbraw/zinc/06/73/59/701067359.db2.gz HINWBWGSAROFPP-OAHLLOKOSA-N 2 1 325.497 1.317 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCCO)CC2(C)C)C1 ZINC000941027523 701067363 /nfs/dbraw/zinc/06/73/63/701067363.db2.gz HINWBWGSAROFPP-OAHLLOKOSA-N 2 1 325.497 1.317 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCCO)CC2(C)C)C1 ZINC000941027523 701067366 /nfs/dbraw/zinc/06/73/66/701067366.db2.gz HINWBWGSAROFPP-OAHLLOKOSA-N 2 1 325.497 1.317 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CC[C@@H]3CCCCO3)C2)CC[N@H+]1C ZINC001031925795 701126729 /nfs/dbraw/zinc/12/67/29/701126729.db2.gz NVTCZSKEBRYBIC-SZMVWBNQSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(CO)cc3)C2)CC[N@H+]1C ZINC001031926278 701164628 /nfs/dbraw/zinc/16/46/28/701164628.db2.gz YLAITLMDJDCUKD-KXBFYZLASA-N 2 1 345.487 1.457 20 0 EDADMP CC1(C)C[N@@H+](CC[C@H]2CCCO2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166013 701377092 /nfs/dbraw/zinc/37/70/92/701377092.db2.gz DCPGTUXQIBZJLN-SJORKVTESA-N 2 1 349.519 1.868 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCOCC3)CC2(C)C)C1 ZINC000941221287 701411732 /nfs/dbraw/zinc/41/17/32/701411732.db2.gz PGKWKYQBHULKOL-SJORKVTESA-N 2 1 337.508 1.581 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCOCC3)CC2(C)C)C1 ZINC000941221287 701411733 /nfs/dbraw/zinc/41/17/33/701411733.db2.gz PGKWKYQBHULKOL-SJORKVTESA-N 2 1 337.508 1.581 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCOCC3)CC2(C)C)C1 ZINC000941221287 701411734 /nfs/dbraw/zinc/41/17/34/701411734.db2.gz PGKWKYQBHULKOL-SJORKVTESA-N 2 1 337.508 1.581 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC3CCOCC3)CC2(C)C)C1 ZINC000941221284 701411736 /nfs/dbraw/zinc/41/17/36/701411736.db2.gz PGKWKYQBHULKOL-DLBZAZTESA-N 2 1 337.508 1.581 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC3CCOCC3)CC2(C)C)C1 ZINC000941221284 701411737 /nfs/dbraw/zinc/41/17/37/701411737.db2.gz PGKWKYQBHULKOL-DLBZAZTESA-N 2 1 337.508 1.581 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCOCC3)CC2(C)C)C1 ZINC000941221284 701411738 /nfs/dbraw/zinc/41/17/38/701411738.db2.gz PGKWKYQBHULKOL-DLBZAZTESA-N 2 1 337.508 1.581 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941237399 701428093 /nfs/dbraw/zinc/42/80/93/701428093.db2.gz MSMPGSRTVJCSIW-SFHVURJKSA-N 2 1 347.503 1.961 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941404678 701518953 /nfs/dbraw/zinc/51/89/53/701518953.db2.gz MXMKMMRAKOLPQH-LJQANCHMSA-N 2 1 348.535 1.488 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001031976530 701966160 /nfs/dbraw/zinc/96/61/60/701966160.db2.gz OAJYPPFPUIZVFN-KBXCAEBGSA-N 2 1 340.471 1.914 20 0 EDADMP CCc1onc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189944 706632633 /nfs/dbraw/zinc/63/26/33/706632633.db2.gz ORPGKHDWYKSTRA-OWCLPIDISA-N 2 1 348.491 1.966 20 0 EDADMP Cc1ccc(OCC[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cc1 ZINC001031977122 702011688 /nfs/dbraw/zinc/01/16/88/702011688.db2.gz WZAVOFBVUKZTNZ-APWZRJJASA-N 2 1 345.487 1.620 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1C[NH+](C[C@H]3CCCCO3)C1)C2 ZINC001031977507 702023521 /nfs/dbraw/zinc/02/35/21/702023521.db2.gz CGKFJQPWZOZHRO-SJLPKXTDSA-N 2 1 346.475 1.371 20 0 EDADMP Cc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031977537 702024085 /nfs/dbraw/zinc/02/40/85/702024085.db2.gz CQPITPPVYRGGJU-KBXCAEBGSA-N 2 1 333.451 1.880 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncnn2C)C(C)(C)C1 ZINC000995802051 702046041 /nfs/dbraw/zinc/04/60/41/702046041.db2.gz NCTSTTQQHUGWOU-LSDHHAIUSA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncnn2C)C(C)(C)C1 ZINC000995802051 702046049 /nfs/dbraw/zinc/04/60/49/702046049.db2.gz NCTSTTQQHUGWOU-LSDHHAIUSA-N 2 1 348.495 1.015 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2(C)C)co1 ZINC000995817867 702134007 /nfs/dbraw/zinc/13/40/07/702134007.db2.gz ATKVVWDELLSOLJ-DLBZAZTESA-N 2 1 346.475 1.651 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000995887147 702225494 /nfs/dbraw/zinc/22/54/94/702225494.db2.gz PBUSBVVRUMSLTE-SJORKVTESA-N 2 1 347.507 1.621 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3OC3CC3)C2)C1 ZINC001032186291 702322836 /nfs/dbraw/zinc/32/28/36/702322836.db2.gz MZLSAOGLMCIHAZ-QGZVFWFLSA-N 2 1 343.471 1.728 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3OC3CC3)C2)C1 ZINC001032186291 702322843 /nfs/dbraw/zinc/32/28/43/702322843.db2.gz MZLSAOGLMCIHAZ-QGZVFWFLSA-N 2 1 343.471 1.728 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnoc3C)C2)CC[N@H+]1C ZINC000999206277 706659780 /nfs/dbraw/zinc/65/97/80/706659780.db2.gz IRQPKEVGVIXNHW-YESZJQIVSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995986627 702348029 /nfs/dbraw/zinc/34/80/29/702348029.db2.gz ZCUCWHLDANDCQY-HOCLYGCPSA-N 2 1 334.464 1.794 20 0 EDADMP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)cn1 ZINC000995986444 702348623 /nfs/dbraw/zinc/34/86/23/702348623.db2.gz YHXVWYFJUCXBLY-JKSUJKDBSA-N 2 1 333.480 1.231 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnns3)C2)CC[N@H+]1C ZINC000999211004 706663785 /nfs/dbraw/zinc/66/37/85/706663785.db2.gz WOYNSGOFWQFYOZ-AEGPPILISA-N 2 1 337.493 1.349 20 0 EDADMP CCn1ccc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC000944169695 702411789 /nfs/dbraw/zinc/41/17/89/702411789.db2.gz PSLMPXQRUUMNRC-WBVHZDCISA-N 2 1 345.491 1.325 20 0 EDADMP CCn1ccc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC000944169695 702411792 /nfs/dbraw/zinc/41/17/92/702411792.db2.gz PSLMPXQRUUMNRC-WBVHZDCISA-N 2 1 345.491 1.325 20 0 EDADMP C[C@@H]1C[N@H+](Cc2nccs2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944154102 702443808 /nfs/dbraw/zinc/44/38/08/702443808.db2.gz JRHFFBNLXPNBMK-ZIAGYGMSSA-N 2 1 334.489 1.566 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2nccs2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944154102 702443810 /nfs/dbraw/zinc/44/38/10/702443810.db2.gz JRHFFBNLXPNBMK-ZIAGYGMSSA-N 2 1 334.489 1.566 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944154588 702445447 /nfs/dbraw/zinc/44/54/47/702445447.db2.gz LKHZYIVORCZRCW-BBRMVZONSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1csc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)n1 ZINC000944156891 702453299 /nfs/dbraw/zinc/45/32/99/702453299.db2.gz WLHDNWHWSDICHF-DZGCQCFKSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1csc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)n1 ZINC000944156891 702453302 /nfs/dbraw/zinc/45/33/02/702453302.db2.gz WLHDNWHWSDICHF-DZGCQCFKSA-N 2 1 348.516 1.874 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000942052855 702483827 /nfs/dbraw/zinc/48/38/27/702483827.db2.gz HLKXSPBSICJDSX-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996221457 702632609 /nfs/dbraw/zinc/63/26/09/702632609.db2.gz JLEBAOHDLXCAJB-MRXNPFEDSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3nccs3)C(C)(C)C2)C1 ZINC000996299705 702690704 /nfs/dbraw/zinc/69/07/04/702690704.db2.gz CRTSKWOSOADPMO-KGLIPLIRSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3nccs3)C(C)(C)C2)C1 ZINC000996299705 702690705 /nfs/dbraw/zinc/69/07/05/702690705.db2.gz CRTSKWOSOADPMO-KGLIPLIRSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996302582 702694607 /nfs/dbraw/zinc/69/46/07/702694607.db2.gz XJOFSWXBDGGJJE-SWLSCSKDSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996302582 702694609 /nfs/dbraw/zinc/69/46/09/702694609.db2.gz XJOFSWXBDGGJJE-SWLSCSKDSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)cn1 ZINC000996463535 702791182 /nfs/dbraw/zinc/79/11/82/702791182.db2.gz HQVAREAYVVPMQO-GOSISDBHSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996500578 702839535 /nfs/dbraw/zinc/83/95/35/702839535.db2.gz GXZKAFIALZQRGG-WBVHZDCISA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)cs1 ZINC000996608219 702911577 /nfs/dbraw/zinc/91/15/77/702911577.db2.gz CEKOJRPZYVKZGO-OAHLLOKOSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]Cc2nccnc2C)C(C)(C)C1 ZINC000996608738 702912266 /nfs/dbraw/zinc/91/22/66/702912266.db2.gz FHBCSTQXOQOQFE-MRXNPFEDSA-N 2 1 342.447 1.317 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)sn1 ZINC000996605272 702914797 /nfs/dbraw/zinc/91/47/97/702914797.db2.gz CHVUGVGDUVLPSD-CZUORRHYSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)s1 ZINC000996610799 702915799 /nfs/dbraw/zinc/91/57/99/702915799.db2.gz KUPUYCAMEURZKP-KBPBESRZSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996610823 702916110 /nfs/dbraw/zinc/91/61/10/702916110.db2.gz KVLFOXMFVFBIJL-ZFWWWQNUSA-N 2 1 336.505 1.730 20 0 EDADMP CCn1ccnc1C[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000996664755 702967153 /nfs/dbraw/zinc/96/71/53/702967153.db2.gz IQPOLIMABUWTGN-UHFFFAOYSA-N 2 1 333.480 1.468 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)[nH]2)CC1 ZINC000996665753 702968189 /nfs/dbraw/zinc/96/81/89/702968189.db2.gz ZFEMVILHBOTBQB-CJNGLKHVSA-N 2 1 348.495 1.629 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996671752 702972888 /nfs/dbraw/zinc/97/28/88/702972888.db2.gz MRIRNPFXSNUBLD-MRXNPFEDSA-N 2 1 349.479 1.581 20 0 EDADMP CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000995256983 703007370 /nfs/dbraw/zinc/00/73/70/703007370.db2.gz HGLHDSJESXLFTR-MSOLQXFVSA-N 2 1 346.475 1.083 20 0 EDADMP CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000995256983 703007373 /nfs/dbraw/zinc/00/73/73/703007373.db2.gz HGLHDSJESXLFTR-MSOLQXFVSA-N 2 1 346.475 1.083 20 0 EDADMP CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000995256983 703007376 /nfs/dbraw/zinc/00/73/76/703007376.db2.gz HGLHDSJESXLFTR-MSOLQXFVSA-N 2 1 346.475 1.083 20 0 EDADMP CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000995256983 703007380 /nfs/dbraw/zinc/00/73/80/703007380.db2.gz HGLHDSJESXLFTR-MSOLQXFVSA-N 2 1 346.475 1.083 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2conc2C)C[C@H]1C ZINC000942519153 703020555 /nfs/dbraw/zinc/02/05/55/703020555.db2.gz ZGPPCFPABKTHLN-WBMJQRKESA-N 2 1 331.420 1.515 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2conc2C)C[C@H]1C ZINC000942519153 703020557 /nfs/dbraw/zinc/02/05/57/703020557.db2.gz ZGPPCFPABKTHLN-WBMJQRKESA-N 2 1 331.420 1.515 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)n1 ZINC000996767709 703059018 /nfs/dbraw/zinc/05/90/18/703059018.db2.gz QYNLEIOCEGJHAW-CYBMUJFWSA-N 2 1 347.463 1.648 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)oc1C ZINC000942598125 703113165 /nfs/dbraw/zinc/11/31/65/703113165.db2.gz RSQKYNUPLKWTAH-CXAGYDPISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)oc1C ZINC000942598125 703113166 /nfs/dbraw/zinc/11/31/66/703113166.db2.gz RSQKYNUPLKWTAH-CXAGYDPISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000942598129 703113262 /nfs/dbraw/zinc/11/32/62/703113262.db2.gz RSUKPJPLXURPTA-CXAGYDPISA-N 2 1 334.464 1.651 20 0 EDADMP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CN(C)CCO2)cc1C ZINC001032331856 703113415 /nfs/dbraw/zinc/11/34/15/703113415.db2.gz LXHBJHUENWEVFI-FHWLQOOXSA-N 2 1 343.471 1.419 20 0 EDADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CN(C)CCO2)cc1C ZINC001032331856 703113417 /nfs/dbraw/zinc/11/34/17/703113417.db2.gz LXHBJHUENWEVFI-FHWLQOOXSA-N 2 1 343.471 1.419 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042684 703204411 /nfs/dbraw/zinc/20/44/11/703204411.db2.gz DVHXYOHOXNQJCC-WMZOPIPTSA-N 2 1 346.475 1.802 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032042684 703204414 /nfs/dbraw/zinc/20/44/14/703204414.db2.gz DVHXYOHOXNQJCC-WMZOPIPTSA-N 2 1 346.475 1.802 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000996951647 703222286 /nfs/dbraw/zinc/22/22/86/703222286.db2.gz HNHIMDDHWBOBRS-LBPRGKRZSA-N 2 1 335.452 1.361 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000996978729 703234041 /nfs/dbraw/zinc/23/40/41/703234041.db2.gz IUOUXVQMQDXVHB-KDOFPFPSSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1ncoc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000996977332 703242181 /nfs/dbraw/zinc/24/21/81/703242181.db2.gz IDMVFTYUIFORJW-CJNGLKHVSA-N 2 1 334.464 1.794 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032044629 703245778 /nfs/dbraw/zinc/24/57/78/703245778.db2.gz VTFGMPVHFKJKGC-QZTJIDSGSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032044629 703245780 /nfs/dbraw/zinc/24/57/80/703245780.db2.gz VTFGMPVHFKJKGC-QZTJIDSGSA-N 2 1 328.460 1.647 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1)c1nncn1C ZINC000996996880 703260689 /nfs/dbraw/zinc/26/06/89/703260689.db2.gz BETMCEKWBZSPET-AWEZNQCLSA-N 2 1 348.495 1.189 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)nc1 ZINC000997005752 703263043 /nfs/dbraw/zinc/26/30/43/703263043.db2.gz JYZFJZGUZBQDHA-CQSZACIVSA-N 2 1 331.464 1.207 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)C1 ZINC000997007132 703264513 /nfs/dbraw/zinc/26/45/13/703264513.db2.gz OVIPHPLZNIQEKJ-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)[nH]1 ZINC000997007858 703265147 /nfs/dbraw/zinc/26/51/47/703265147.db2.gz QZQRQUNVCFLQDD-UONOGXRCSA-N 2 1 348.495 1.351 20 0 EDADMP Cc1csc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997008017 703265507 /nfs/dbraw/zinc/26/55/07/703265507.db2.gz TZZUEQJPTZXXEC-ZDUSSCGKSA-N 2 1 336.505 1.874 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000997060180 703305449 /nfs/dbraw/zinc/30/54/49/703305449.db2.gz FWXPJZSLXHDMMU-MRXNPFEDSA-N 2 1 335.452 1.413 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)n1 ZINC000997063215 703308164 /nfs/dbraw/zinc/30/81/64/703308164.db2.gz OVQDLDBEAUIEAB-MRXNPFEDSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)n1 ZINC000997063215 703308165 /nfs/dbraw/zinc/30/81/65/703308165.db2.gz OVQDLDBEAUIEAB-MRXNPFEDSA-N 2 1 349.479 1.722 20 0 EDADMP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000997086608 703332365 /nfs/dbraw/zinc/33/23/65/703332365.db2.gz AHFHALAXFDUNIY-FUHWJXTLSA-N 2 1 345.491 1.518 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cnccc2C)CC[N@@H+]1C ZINC001032412430 703461919 /nfs/dbraw/zinc/46/19/19/703461919.db2.gz WTIZDILEAJJRKR-CADBVGFASA-N 2 1 342.487 1.905 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cnccc2C)CC[N@H+]1C ZINC001032412430 703461921 /nfs/dbraw/zinc/46/19/21/703461921.db2.gz WTIZDILEAJJRKR-CADBVGFASA-N 2 1 342.487 1.905 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cnccc2C)CC[NH+]1C ZINC001032412430 703461923 /nfs/dbraw/zinc/46/19/23/703461923.db2.gz WTIZDILEAJJRKR-CADBVGFASA-N 2 1 342.487 1.905 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cnccc2C)CC[NH+]1C ZINC001032412430 703461925 /nfs/dbraw/zinc/46/19/25/703461925.db2.gz WTIZDILEAJJRKR-CADBVGFASA-N 2 1 342.487 1.905 20 0 EDADMP C[C@H](NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000921553646 703513060 /nfs/dbraw/zinc/51/30/60/703513060.db2.gz KSCCUOOLIANQIL-UERKLNTKSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000921553646 703513063 /nfs/dbraw/zinc/51/30/63/703513063.db2.gz KSCCUOOLIANQIL-UERKLNTKSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000997260815 703539947 /nfs/dbraw/zinc/53/99/47/703539947.db2.gz LSUJPFMTKACLCU-IIDMSEBBSA-N 2 1 345.491 1.849 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997300504 703544200 /nfs/dbraw/zinc/54/42/00/703544200.db2.gz WJMHFNNZKHBDGZ-CHWSQXEVSA-N 2 1 335.452 1.225 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997300504 703544202 /nfs/dbraw/zinc/54/42/02/703544202.db2.gz WJMHFNNZKHBDGZ-CHWSQXEVSA-N 2 1 335.452 1.225 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)c1ccccc1)[NH+](C)C ZINC001032475055 703695162 /nfs/dbraw/zinc/69/51/62/703695162.db2.gz VDTFSUGMPFLDMH-WNRNVDISSA-N 2 1 331.460 1.345 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)c1ccccc1)[NH+](C)C ZINC001032475055 703695164 /nfs/dbraw/zinc/69/51/64/703695164.db2.gz VDTFSUGMPFLDMH-WNRNVDISSA-N 2 1 331.460 1.345 20 0 EDADMP CC(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997532020 703785957 /nfs/dbraw/zinc/78/59/57/703785957.db2.gz YNPPYLVAQYVDLE-RDJZCZTQSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997532020 703785958 /nfs/dbraw/zinc/78/59/58/703785958.db2.gz YNPPYLVAQYVDLE-RDJZCZTQSA-N 2 1 325.497 1.580 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1)C12CCC[NH+]1CCC2 ZINC001032497834 703795221 /nfs/dbraw/zinc/79/52/21/703795221.db2.gz BAOPFTSFWQQZQJ-HOTGVXAUSA-N 2 1 333.476 1.469 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1)C12CCC[NH+]1CCC2 ZINC001032497834 703795223 /nfs/dbraw/zinc/79/52/23/703795223.db2.gz BAOPFTSFWQQZQJ-HOTGVXAUSA-N 2 1 333.476 1.469 20 0 EDADMP CC(C)c1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997605589 703903200 /nfs/dbraw/zinc/90/32/00/703903200.db2.gz GNAGSLASHRTICS-OAHLLOKOSA-N 2 1 349.479 1.615 20 0 EDADMP CC(C)c1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000997605589 703903203 /nfs/dbraw/zinc/90/32/03/703903203.db2.gz GNAGSLASHRTICS-OAHLLOKOSA-N 2 1 349.479 1.615 20 0 EDADMP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995553174 703964788 /nfs/dbraw/zinc/96/47/88/703964788.db2.gz SRCGXCPRSBIZPK-DZGCQCFKSA-N 2 1 336.505 1.872 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3ncnn3C)C2)C1 ZINC000999291175 706786623 /nfs/dbraw/zinc/78/66/23/706786623.db2.gz PNFPOABFGLOCQH-FHERZECASA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033069854 704098404 /nfs/dbraw/zinc/09/84/04/704098404.db2.gz MASAMQAOSMWTJU-ZWKOTPCHSA-N 2 1 347.507 1.368 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033069854 704098406 /nfs/dbraw/zinc/09/84/06/704098406.db2.gz MASAMQAOSMWTJU-ZWKOTPCHSA-N 2 1 347.507 1.368 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033069854 704098409 /nfs/dbraw/zinc/09/84/09/704098409.db2.gz MASAMQAOSMWTJU-ZWKOTPCHSA-N 2 1 347.507 1.368 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033072506 704108365 /nfs/dbraw/zinc/10/83/65/704108365.db2.gz LCMDSWFIGDBKIM-ROUUACIJSA-N 2 1 330.476 1.987 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033072506 704108366 /nfs/dbraw/zinc/10/83/66/704108366.db2.gz LCMDSWFIGDBKIM-ROUUACIJSA-N 2 1 330.476 1.987 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033072506 704108368 /nfs/dbraw/zinc/10/83/68/704108368.db2.gz LCMDSWFIGDBKIM-ROUUACIJSA-N 2 1 330.476 1.987 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033072506 704108370 /nfs/dbraw/zinc/10/83/70/704108370.db2.gz LCMDSWFIGDBKIM-ROUUACIJSA-N 2 1 330.476 1.987 20 0 EDADMP CC[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084710 704154995 /nfs/dbraw/zinc/15/49/95/704154995.db2.gz KKANFESLCSOYLT-CVEARBPZSA-N 2 1 335.496 1.637 20 0 EDADMP CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033090092 704171896 /nfs/dbraw/zinc/17/18/96/704171896.db2.gz FKOIXFPZLHWXNC-KURKYZTESA-N 2 1 337.508 1.676 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000999303735 706797440 /nfs/dbraw/zinc/79/74/40/706797440.db2.gz ITWIYVAJJMLRRU-LSDHHAIUSA-N 2 1 334.468 1.068 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000999303735 706797441 /nfs/dbraw/zinc/79/74/41/706797441.db2.gz ITWIYVAJJMLRRU-LSDHHAIUSA-N 2 1 334.468 1.068 20 0 EDADMP Cc1conc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000999304325 706798124 /nfs/dbraw/zinc/79/81/24/706798124.db2.gz SMSPRNDTGIGHGI-FXQLRMTLSA-N 2 1 334.464 1.792 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC3CC3)CC2)C1 ZINC001004377358 704352974 /nfs/dbraw/zinc/35/29/74/704352974.db2.gz AYQXGUVARSQRHW-QZTJIDSGSA-N 2 1 335.492 1.430 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC3CC3)CC2)C1 ZINC001004377358 704352977 /nfs/dbraw/zinc/35/29/77/704352977.db2.gz AYQXGUVARSQRHW-QZTJIDSGSA-N 2 1 335.492 1.430 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001004377358 704352980 /nfs/dbraw/zinc/35/29/80/704352980.db2.gz AYQXGUVARSQRHW-QZTJIDSGSA-N 2 1 335.492 1.430 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC3CC3)CC2)C1 ZINC001004377358 704352983 /nfs/dbraw/zinc/35/29/83/704352983.db2.gz AYQXGUVARSQRHW-QZTJIDSGSA-N 2 1 335.492 1.430 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)C1 ZINC000995604738 704568128 /nfs/dbraw/zinc/56/81/28/704568128.db2.gz MROXIDVCGSRLAF-KGLIPLIRSA-N 2 1 345.434 1.189 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)C1 ZINC000995604738 704568129 /nfs/dbraw/zinc/56/81/29/704568129.db2.gz MROXIDVCGSRLAF-KGLIPLIRSA-N 2 1 345.434 1.189 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997822994 704742954 /nfs/dbraw/zinc/74/29/54/704742954.db2.gz ISIRKITXILQHDH-KRWDZBQOSA-N 2 1 349.479 1.661 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000997860765 704771505 /nfs/dbraw/zinc/77/15/05/704771505.db2.gz CUPLUSPIZNBTJP-BBRMVZONSA-N 2 1 349.479 1.752 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000997864526 704771521 /nfs/dbraw/zinc/77/15/21/704771521.db2.gz KILIVTWXONVMJE-OAHLLOKOSA-N 2 1 337.493 1.351 20 0 EDADMP CCc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997861400 704771829 /nfs/dbraw/zinc/77/18/29/704771829.db2.gz RPOJDUYPMNWBSJ-GOEBONIOSA-N 2 1 348.491 1.905 20 0 EDADMP CCc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997861400 704771830 /nfs/dbraw/zinc/77/18/30/704771830.db2.gz RPOJDUYPMNWBSJ-GOEBONIOSA-N 2 1 348.491 1.905 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1)c1cnccn1 ZINC000997865264 704772598 /nfs/dbraw/zinc/77/25/98/704772598.db2.gz NBOUNSSFAVNPGI-CRAIPNDOSA-N 2 1 345.491 1.850 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2nccnc2C)C[C@H]1C ZINC000944942766 704795082 /nfs/dbraw/zinc/79/50/82/704795082.db2.gz CXIUDBZFXQHMFB-CZUORRHYSA-N 2 1 342.447 1.317 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2nccnc2C)C[C@H]1C ZINC000944942766 704795083 /nfs/dbraw/zinc/79/50/83/704795083.db2.gz CXIUDBZFXQHMFB-CZUORRHYSA-N 2 1 342.447 1.317 20 0 EDADMP Cc1cnc(CN2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)s1 ZINC000944965432 704835948 /nfs/dbraw/zinc/83/59/48/704835948.db2.gz SOPRLXVEABHJNK-DOMZBBRYSA-N 2 1 347.488 1.983 20 0 EDADMP CCN(C(=O)[C@@H]1CCn2cncc2C1)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000998042803 705237640 /nfs/dbraw/zinc/23/76/40/705237640.db2.gz AOJMZWLSPRDZAW-IAGOWNOFSA-N 2 1 348.491 1.795 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)co1 ZINC000998081676 705303247 /nfs/dbraw/zinc/30/32/47/705303247.db2.gz LTZLNYOSYLDIRG-CQSZACIVSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000998215623 705536884 /nfs/dbraw/zinc/53/68/84/705536884.db2.gz COWCQHSFFWRDNF-MRXNPFEDSA-N 2 1 334.464 1.653 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C)C1CCC1 ZINC001032610985 705581061 /nfs/dbraw/zinc/58/10/61/705581061.db2.gz BILKGPVMGXAQLJ-XLAORIBOSA-N 2 1 337.508 1.673 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000998269941 705647572 /nfs/dbraw/zinc/64/75/72/705647572.db2.gz ROVNKTPIVIHIEH-PKOBYXMFSA-N 2 1 346.475 1.446 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000998547951 705982815 /nfs/dbraw/zinc/98/28/15/705982815.db2.gz CXOIJWNIVYNEER-NRXISQOPSA-N 2 1 336.867 1.908 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000998548396 705983669 /nfs/dbraw/zinc/98/36/69/705983669.db2.gz HNPWKIKUIPRPER-JXQTWKCFSA-N 2 1 348.495 1.275 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC(NCc2nnsc2Cl)C1 ZINC000998550640 705987136 /nfs/dbraw/zinc/98/71/36/705987136.db2.gz NWCAJIXXPJVAAU-CBINBANVSA-N 2 1 343.884 1.365 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000998553355 705991026 /nfs/dbraw/zinc/99/10/26/705991026.db2.gz WMPKEUIEJPEUJY-CTWPCTMYSA-N 2 1 343.471 1.890 20 0 EDADMP CCc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC000998729062 706159599 /nfs/dbraw/zinc/15/95/99/706159599.db2.gz FBEJVBLOYAPZFA-LSDHHAIUSA-N 2 1 334.464 1.720 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)nc1 ZINC000998763228 706202179 /nfs/dbraw/zinc/20/21/79/706202179.db2.gz MOGMAVIYVMIYJP-JCYILVPMSA-N 2 1 345.491 1.737 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nc1 ZINC000998763228 706202183 /nfs/dbraw/zinc/20/21/83/706202183.db2.gz MOGMAVIYVMIYJP-JCYILVPMSA-N 2 1 345.491 1.737 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000998763562 706202562 /nfs/dbraw/zinc/20/25/62/706202562.db2.gz NRDMCACWFYBRHJ-OFLPRAFFSA-N 2 1 333.480 1.335 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000998765233 706204652 /nfs/dbraw/zinc/20/46/52/706204652.db2.gz XAJINDJQMUOWRF-VMWRSERWSA-N 2 1 347.507 1.414 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC000998831253 706261013 /nfs/dbraw/zinc/26/10/13/706261013.db2.gz ZZCVZVMDJDTWEX-ROUUACIJSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC000998831253 706261016 /nfs/dbraw/zinc/26/10/16/706261016.db2.gz ZZCVZVMDJDTWEX-ROUUACIJSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C)c1 ZINC000998825169 706271721 /nfs/dbraw/zinc/27/17/21/706271721.db2.gz LYLCVGCLJPRGPU-MOPGFXCFSA-N 2 1 345.487 1.715 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C)c1 ZINC000998825169 706271723 /nfs/dbraw/zinc/27/17/23/706271723.db2.gz LYLCVGCLJPRGPU-MOPGFXCFSA-N 2 1 345.487 1.715 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C)n1 ZINC000998826830 706273760 /nfs/dbraw/zinc/27/37/60/706273760.db2.gz QERKTYXDXWIZSG-ROUUACIJSA-N 2 1 346.475 1.110 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C)n1 ZINC000998826830 706273762 /nfs/dbraw/zinc/27/37/62/706273762.db2.gz QERKTYXDXWIZSG-ROUUACIJSA-N 2 1 346.475 1.110 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC000998827236 706274353 /nfs/dbraw/zinc/27/43/53/706274353.db2.gz RALWXVHOCSSLJK-QZTJIDSGSA-N 2 1 349.450 1.567 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC000998827236 706274355 /nfs/dbraw/zinc/27/43/55/706274355.db2.gz RALWXVHOCSSLJK-QZTJIDSGSA-N 2 1 349.450 1.567 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)ncn1 ZINC000998994044 706411197 /nfs/dbraw/zinc/41/11/97/706411197.db2.gz JQUYPDYLIYNVQA-BDVYOWHSSA-N 2 1 331.464 1.348 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)s1 ZINC000998994932 706412092 /nfs/dbraw/zinc/41/20/92/706412092.db2.gz MJQWIACISDWKHJ-RUXDESIVSA-N 2 1 337.493 1.410 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)s1 ZINC000998994932 706412094 /nfs/dbraw/zinc/41/20/94/706412094.db2.gz MJQWIACISDWKHJ-RUXDESIVSA-N 2 1 337.493 1.410 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CC([NH2+]Cc2ccon2)C1 ZINC000998986370 706418600 /nfs/dbraw/zinc/41/86/00/706418600.db2.gz FSYMHDAKSVJBCO-UHFFFAOYSA-N 2 1 332.448 1.630 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999131217 706566283 /nfs/dbraw/zinc/56/62/83/706566283.db2.gz AVWHHXCKDNCXOC-SJORKVTESA-N 2 1 333.480 1.337 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000999340524 706842371 /nfs/dbraw/zinc/84/23/71/706842371.db2.gz AOWAGCFGMYGFEE-UHFFFAOYSA-N 2 1 335.452 1.053 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000999340560 706851851 /nfs/dbraw/zinc/85/18/51/706851851.db2.gz BTABHXMJIAHSER-UHFFFAOYSA-N 2 1 349.479 1.443 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)[nH]1 ZINC000999349247 706861459 /nfs/dbraw/zinc/86/14/59/706861459.db2.gz RYWZQTOVQCYZRQ-HOTGVXAUSA-N 2 1 348.495 1.172 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)[nH]1 ZINC000999349247 706861464 /nfs/dbraw/zinc/86/14/64/706861464.db2.gz RYWZQTOVQCYZRQ-HOTGVXAUSA-N 2 1 348.495 1.172 20 0 EDADMP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)c1ncccn1 ZINC000999373195 706867915 /nfs/dbraw/zinc/86/79/15/706867915.db2.gz GRZZFGSGDTWNBU-CABCVRRESA-N 2 1 331.464 1.603 20 0 EDADMP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ncccn1 ZINC000999373195 706867916 /nfs/dbraw/zinc/86/79/16/706867916.db2.gz GRZZFGSGDTWNBU-CABCVRRESA-N 2 1 331.464 1.603 20 0 EDADMP Cc1oncc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000999373726 706868328 /nfs/dbraw/zinc/86/83/28/706868328.db2.gz QZADWNYDYLBGKP-CVEARBPZSA-N 2 1 343.431 1.838 20 0 EDADMP CCn1cc(CC[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)cn1 ZINC000999363534 706877417 /nfs/dbraw/zinc/87/74/17/706877417.db2.gz IFBNRIIMHCCXIS-QGZVFWFLSA-N 2 1 347.507 1.510 20 0 EDADMP Cc1cccnc1C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999364530 706878075 /nfs/dbraw/zinc/87/80/75/706878075.db2.gz NLVSUMGCLNVFTP-MRXNPFEDSA-N 2 1 330.476 1.955 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999402096 706910154 /nfs/dbraw/zinc/91/01/54/706910154.db2.gz DJDWCHVVOQGJGN-IUDNXUCKSA-N 2 1 348.495 1.027 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999404419 706913423 /nfs/dbraw/zinc/91/34/23/706913423.db2.gz WHQUAKPSWIYAHA-IUDNXUCKSA-N 2 1 348.491 1.966 20 0 EDADMP C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cnon2)C1)[NH+]1CCCCCC1 ZINC000999505674 707003040 /nfs/dbraw/zinc/00/30/40/707003040.db2.gz KTVZCDGPTFIPRP-HLIUYOAVSA-N 2 1 335.452 1.413 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)c1ncccn1 ZINC000999597921 707100569 /nfs/dbraw/zinc/10/05/69/707100569.db2.gz RZORDUXBMKJCSC-HZPDHXFCSA-N 2 1 343.475 1.747 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038555388 707180175 /nfs/dbraw/zinc/18/01/75/707180175.db2.gz LWDHXMGJEVHRCV-NVXWUHKLSA-N 2 1 333.476 1.630 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000999686879 707240024 /nfs/dbraw/zinc/24/00/24/707240024.db2.gz AVQDIWKBWVQIIU-QQFBHYJXSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000999686879 707240027 /nfs/dbraw/zinc/24/00/27/707240027.db2.gz AVQDIWKBWVQIIU-QQFBHYJXSA-N 2 1 331.464 1.206 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000999689223 707244425 /nfs/dbraw/zinc/24/44/25/707244425.db2.gz PRVZWCDJROKJQT-WWDZGPRUSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]2CC1 ZINC000946780124 707247526 /nfs/dbraw/zinc/24/75/26/707247526.db2.gz ZTZKGZZKXWWDLN-CUSZFKRNSA-N 2 1 346.475 1.543 20 0 EDADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]2CC1 ZINC000946780124 707247529 /nfs/dbraw/zinc/24/75/29/707247529.db2.gz ZTZKGZZKXWWDLN-CUSZFKRNSA-N 2 1 346.475 1.543 20 0 EDADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]2CC1 ZINC000946780124 707247536 /nfs/dbraw/zinc/24/75/36/707247536.db2.gz ZTZKGZZKXWWDLN-CUSZFKRNSA-N 2 1 346.475 1.543 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2oc(C)nc2C)C1 ZINC000999728712 707271573 /nfs/dbraw/zinc/27/15/73/707271573.db2.gz STESTXMFFWCQEN-HNNXBMFYSA-N 2 1 331.420 1.577 20 0 EDADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000999764392 707318752 /nfs/dbraw/zinc/31/87/52/707318752.db2.gz JQTDSUOZPHIFJI-DHADLLTHSA-N 2 1 333.476 1.230 20 0 EDADMP CC(C)=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033276738 707341285 /nfs/dbraw/zinc/34/12/85/707341285.db2.gz GCGOOUYEXKCJIX-ISXWCOSWSA-N 2 1 333.476 1.349 20 0 EDADMP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033276738 707341288 /nfs/dbraw/zinc/34/12/88/707341288.db2.gz GCGOOUYEXKCJIX-ISXWCOSWSA-N 2 1 333.476 1.349 20 0 EDADMP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033276738 707341292 /nfs/dbraw/zinc/34/12/92/707341292.db2.gz GCGOOUYEXKCJIX-ISXWCOSWSA-N 2 1 333.476 1.349 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295852 707404899 /nfs/dbraw/zinc/40/48/99/707404899.db2.gz NXKBEASFWDWWIJ-MSOLQXFVSA-N 2 1 346.475 1.890 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295852 707404901 /nfs/dbraw/zinc/40/49/01/707404901.db2.gz NXKBEASFWDWWIJ-MSOLQXFVSA-N 2 1 346.475 1.890 20 0 EDADMP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)n1 ZINC000999838838 707411429 /nfs/dbraw/zinc/41/14/29/707411429.db2.gz YNZNYHMQGXDEDU-UHFFFAOYSA-N 2 1 330.436 1.187 20 0 EDADMP O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2CC1 ZINC000946797842 707425225 /nfs/dbraw/zinc/42/52/25/707425225.db2.gz LHWTVFLSVYJCFZ-ZACQAIPSSA-N 2 1 346.475 1.549 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]CCc2ccccc2F)C1 ZINC000999828989 707457907 /nfs/dbraw/zinc/45/79/07/707457907.db2.gz HZAHIZLLXZPSNL-KLAILNCOSA-N 2 1 333.451 1.899 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001033319401 707497969 /nfs/dbraw/zinc/49/79/69/707497969.db2.gz PUCKQPLMWABXHC-DLBZAZTESA-N 2 1 337.508 1.963 20 0 EDADMP C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004873525 707535176 /nfs/dbraw/zinc/53/51/76/707535176.db2.gz AMTPAGLKJDBMCF-RHSMWYFYSA-N 2 1 348.495 1.159 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC000999971560 707582198 /nfs/dbraw/zinc/58/21/98/707582198.db2.gz BVZSWXOQRTVFRO-MSOLQXFVSA-N 2 1 347.507 1.586 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCn3cccn3)C2)C1 ZINC001033354006 707609533 /nfs/dbraw/zinc/60/95/33/707609533.db2.gz LKPBCWKKBKZKKF-ZWKOTPCHSA-N 2 1 347.507 1.538 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCn3cccn3)C2)C1 ZINC001033354006 707609535 /nfs/dbraw/zinc/60/95/35/707609535.db2.gz LKPBCWKKBKZKKF-ZWKOTPCHSA-N 2 1 347.507 1.538 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCn3cccn3)C2)C1 ZINC001033354006 707609537 /nfs/dbraw/zinc/60/95/37/707609537.db2.gz LKPBCWKKBKZKKF-ZWKOTPCHSA-N 2 1 347.507 1.538 20 0 EDADMP C[C@@H]1Cc2cc(C[NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)ccc2O1 ZINC000921690967 707729949 /nfs/dbraw/zinc/72/99/49/707729949.db2.gz RNBZJQFJODEZTG-ZBFHGGJFSA-N 2 1 331.460 1.687 20 0 EDADMP CCOC1CC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001032734125 707743572 /nfs/dbraw/zinc/74/35/72/707743572.db2.gz XYJXBLRKJDADBF-YZUHTNEWSA-N 2 1 333.476 1.182 20 0 EDADMP CN(C)C(=O)c1cccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000921691383 707750925 /nfs/dbraw/zinc/75/09/25/707750925.db2.gz VRBIHAADZWAZBS-QGZVFWFLSA-N 2 1 346.475 1.065 20 0 EDADMP CN(C)C(=O)c1cccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000921691383 707750929 /nfs/dbraw/zinc/75/09/29/707750929.db2.gz VRBIHAADZWAZBS-QGZVFWFLSA-N 2 1 346.475 1.065 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2(C3CC[NH+](C[C@H](C)O)CC3)CC2)CC[N@H+]1C ZINC001000156526 707771750 /nfs/dbraw/zinc/77/17/50/707771750.db2.gz FQVUTMSZXLZUQF-BHYGNILZSA-N 2 1 337.508 1.458 20 0 EDADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)no1 ZINC001004980604 707823453 /nfs/dbraw/zinc/82/34/53/707823453.db2.gz KTCUMFKVCWURCO-RDJZCZTQSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001000194471 707830876 /nfs/dbraw/zinc/83/08/76/707830876.db2.gz VQGNXZSTFVEDCC-MAUKXSAKSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420749 707831723 /nfs/dbraw/zinc/83/17/23/707831723.db2.gz SIYMQTLGGXGXCO-UKRRQHHQSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033420749 707831726 /nfs/dbraw/zinc/83/17/26/707831726.db2.gz SIYMQTLGGXGXCO-UKRRQHHQSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420749 707831730 /nfs/dbraw/zinc/83/17/30/707831730.db2.gz SIYMQTLGGXGXCO-UKRRQHHQSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420749 707831733 /nfs/dbraw/zinc/83/17/33/707831733.db2.gz SIYMQTLGGXGXCO-UKRRQHHQSA-N 2 1 336.505 1.826 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001033421440 707833824 /nfs/dbraw/zinc/83/38/24/707833824.db2.gz XDZCLTYZWDPYIW-ZFWWWQNUSA-N 2 1 329.435 1.906 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001033421440 707833826 /nfs/dbraw/zinc/83/38/26/707833826.db2.gz XDZCLTYZWDPYIW-ZFWWWQNUSA-N 2 1 329.435 1.906 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001033421440 707833828 /nfs/dbraw/zinc/83/38/28/707833828.db2.gz XDZCLTYZWDPYIW-ZFWWWQNUSA-N 2 1 329.435 1.906 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)cn1 ZINC001033423440 707839334 /nfs/dbraw/zinc/83/93/34/707839334.db2.gz NBLFQVYGSYDPBO-AEFFLSMTSA-N 2 1 347.507 1.463 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC001033423440 707839338 /nfs/dbraw/zinc/83/93/38/707839338.db2.gz NBLFQVYGSYDPBO-AEFFLSMTSA-N 2 1 347.507 1.463 20 0 EDADMP CCn1cc(CC[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)cn1 ZINC001033423440 707839341 /nfs/dbraw/zinc/83/93/41/707839341.db2.gz NBLFQVYGSYDPBO-AEFFLSMTSA-N 2 1 347.507 1.463 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)o1 ZINC001033425329 707844185 /nfs/dbraw/zinc/84/41/85/707844185.db2.gz WFZHNASTYBXVCH-CJNGLKHVSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)o1 ZINC001033425329 707844180 /nfs/dbraw/zinc/84/41/80/707844180.db2.gz WFZHNASTYBXVCH-CJNGLKHVSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)o1 ZINC001033425329 707844181 /nfs/dbraw/zinc/84/41/81/707844181.db2.gz WFZHNASTYBXVCH-CJNGLKHVSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)o1 ZINC001033425329 707844183 /nfs/dbraw/zinc/84/41/83/707844183.db2.gz WFZHNASTYBXVCH-CJNGLKHVSA-N 2 1 334.464 1.808 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2=CCCCC2)C1 ZINC001032793176 708052194 /nfs/dbraw/zinc/05/21/94/708052194.db2.gz WNGLICYRWBEJIX-GBESFXJTSA-N 2 1 347.503 1.883 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2=CCCCC2)C1 ZINC001032793176 708052196 /nfs/dbraw/zinc/05/21/96/708052196.db2.gz WNGLICYRWBEJIX-GBESFXJTSA-N 2 1 347.503 1.883 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2=CCCCC2)C1 ZINC001032793176 708052198 /nfs/dbraw/zinc/05/21/98/708052198.db2.gz WNGLICYRWBEJIX-GBESFXJTSA-N 2 1 347.503 1.883 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2=CCCCC2)C1 ZINC001032793176 708052200 /nfs/dbraw/zinc/05/22/00/708052200.db2.gz WNGLICYRWBEJIX-GBESFXJTSA-N 2 1 347.503 1.883 20 0 EDADMP O=C(CN1CCc2sccc2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001032798101 708071882 /nfs/dbraw/zinc/07/18/82/708071882.db2.gz QINLOBHFZXZBSM-GJZGRUSLSA-N 2 1 337.464 1.751 20 0 EDADMP O=C(CN1CCc2sccc2C1)N1C[C@@H]2C[C@H]1CN2CCCF ZINC001032798101 708071884 /nfs/dbraw/zinc/07/18/84/708071884.db2.gz QINLOBHFZXZBSM-GJZGRUSLSA-N 2 1 337.464 1.751 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)C1 ZINC001000927401 708077673 /nfs/dbraw/zinc/07/76/73/708077673.db2.gz LQMJXQDQGVOSOM-HZPDHXFCSA-N 2 1 345.491 1.252 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc(C)[nH+]1 ZINC001060992333 708109957 /nfs/dbraw/zinc/10/99/57/708109957.db2.gz RWVVHNBCVLZZKB-GOEBONIOSA-N 2 1 345.491 1.950 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)cc(C)[nH+]1 ZINC001060992333 708109960 /nfs/dbraw/zinc/10/99/60/708109960.db2.gz RWVVHNBCVLZZKB-GOEBONIOSA-N 2 1 345.491 1.950 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001005208217 708229648 /nfs/dbraw/zinc/22/96/48/708229648.db2.gz DFNIHWJDDGWIEJ-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001005208217 708229650 /nfs/dbraw/zinc/22/96/50/708229650.db2.gz DFNIHWJDDGWIEJ-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CC[NH+]([C@H](C)COC)CC2)C1 ZINC001001738515 708253588 /nfs/dbraw/zinc/25/35/88/708253588.db2.gz NVUWVDCYTTWIAU-AEFFLSMTSA-N 2 1 339.524 1.972 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033582390 708265925 /nfs/dbraw/zinc/26/59/25/708265925.db2.gz OQKQVHASJXUVPY-HOTGVXAUSA-N 2 1 349.479 1.185 20 0 EDADMP Cc1noc(CCC[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001033582390 708265927 /nfs/dbraw/zinc/26/59/27/708265927.db2.gz OQKQVHASJXUVPY-HOTGVXAUSA-N 2 1 349.479 1.185 20 0 EDADMP Cc1noc(CCC[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033582390 708265929 /nfs/dbraw/zinc/26/59/29/708265929.db2.gz OQKQVHASJXUVPY-HOTGVXAUSA-N 2 1 349.479 1.185 20 0 EDADMP COC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001001763998 708287016 /nfs/dbraw/zinc/28/70/16/708287016.db2.gz FGEBFEATFMPUAY-ZOBUZTSGSA-N 2 1 325.497 1.580 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001033594881 708297221 /nfs/dbraw/zinc/29/72/21/708297221.db2.gz SBENGCRZSOCYDU-IAGOWNOFSA-N 2 1 335.492 1.574 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC001033665748 708448952 /nfs/dbraw/zinc/44/89/52/708448952.db2.gz QMNKZWVEPGBMQZ-YJBOKZPZSA-N 2 1 349.450 1.488 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC001033665748 708448954 /nfs/dbraw/zinc/44/89/54/708448954.db2.gz QMNKZWVEPGBMQZ-YJBOKZPZSA-N 2 1 349.450 1.488 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001033659208 708470299 /nfs/dbraw/zinc/47/02/99/708470299.db2.gz BVILIIVSZHUPEI-CABCVRRESA-N 2 1 332.448 1.536 20 0 EDADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001033659208 708470301 /nfs/dbraw/zinc/47/03/01/708470301.db2.gz BVILIIVSZHUPEI-CABCVRRESA-N 2 1 332.448 1.536 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001033659208 708470304 /nfs/dbraw/zinc/47/03/04/708470304.db2.gz BVILIIVSZHUPEI-CABCVRRESA-N 2 1 332.448 1.536 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001033659208 708470306 /nfs/dbraw/zinc/47/03/06/708470306.db2.gz BVILIIVSZHUPEI-CABCVRRESA-N 2 1 332.448 1.536 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001033659255 708470772 /nfs/dbraw/zinc/47/07/72/708470772.db2.gz WOLAPFRQLAULIM-LJQANCHMSA-N 2 1 343.471 1.845 20 0 EDADMP CCn1cc(CC[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001002122200 708636265 /nfs/dbraw/zinc/63/62/65/708636265.db2.gz ASYCKWIHCGBTCC-GOSISDBHSA-N 2 1 347.507 1.225 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002125918 708641101 /nfs/dbraw/zinc/64/11/01/708641101.db2.gz MJTDSXMQNMSURF-MRXNPFEDSA-N 2 1 348.491 1.825 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(Cc2cnc(C)cn2)C1 ZINC001033777091 708704276 /nfs/dbraw/zinc/70/42/76/708704276.db2.gz TZFVPFQSNNBCQN-IAGOWNOFSA-N 2 1 331.464 1.302 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cc(C)ns2)C1 ZINC001033777323 708705159 /nfs/dbraw/zinc/70/51/59/708705159.db2.gz UXRHRZXENLPLMS-GOEBONIOSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cc(C)ns2)C1 ZINC001033777323 708705161 /nfs/dbraw/zinc/70/51/61/708705161.db2.gz UXRHRZXENLPLMS-GOEBONIOSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cc(C)ns2)C1 ZINC001033777323 708705163 /nfs/dbraw/zinc/70/51/63/708705163.db2.gz UXRHRZXENLPLMS-GOEBONIOSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cc(C)ns2)C1 ZINC001033777323 708705165 /nfs/dbraw/zinc/70/51/65/708705165.db2.gz UXRHRZXENLPLMS-GOEBONIOSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC001033778225 708706719 /nfs/dbraw/zinc/70/67/19/708706719.db2.gz YUJGMKMOXRJIJO-RDJZCZTQSA-N 2 1 334.464 1.808 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC001033778225 708706721 /nfs/dbraw/zinc/70/67/21/708706721.db2.gz YUJGMKMOXRJIJO-RDJZCZTQSA-N 2 1 334.464 1.808 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2c(C)noc2C)C1 ZINC001033778225 708706724 /nfs/dbraw/zinc/70/67/24/708706724.db2.gz YUJGMKMOXRJIJO-RDJZCZTQSA-N 2 1 334.464 1.808 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2c(C)noc2C)C1 ZINC001033778225 708706726 /nfs/dbraw/zinc/70/67/26/708706726.db2.gz YUJGMKMOXRJIJO-RDJZCZTQSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1ccc(CNC(=O)NCC2([NH+](C)C)CC2)c(N2CCCC2)[nH+]1 ZINC000921873663 708756731 /nfs/dbraw/zinc/75/67/31/708756731.db2.gz KXXSLGQTVLLKAR-UHFFFAOYSA-N 2 1 331.464 1.884 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033831468 708853971 /nfs/dbraw/zinc/85/39/71/708853971.db2.gz WLBOOAXKYXDSBW-RTBURBONSA-N 2 1 342.487 1.846 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001033831821 708854587 /nfs/dbraw/zinc/85/45/87/708854587.db2.gz YZRWYUNUPWNPEI-IRXDYDNUSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001033831821 708854591 /nfs/dbraw/zinc/85/45/91/708854591.db2.gz YZRWYUNUPWNPEI-IRXDYDNUSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033835105 708862340 /nfs/dbraw/zinc/86/23/40/708862340.db2.gz AWWGSLNKCLGMGT-INIZCTEOSA-N 2 1 333.480 1.391 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC[NH+](CC2CCCC2)CC1 ZINC001005427320 708982162 /nfs/dbraw/zinc/98/21/62/708982162.db2.gz WNIQSHJQGJTRLB-MOPGFXCFSA-N 2 1 349.519 1.963 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC001002472375 709005310 /nfs/dbraw/zinc/00/53/10/709005310.db2.gz ABXWVBZNKSMPJB-ZWKOTPCHSA-N 2 1 337.508 1.602 20 0 EDADMP COc1ncccc1CN1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001002481864 709015299 /nfs/dbraw/zinc/01/52/99/709015299.db2.gz VCOAFSQDUYWCGB-INIZCTEOSA-N 2 1 332.448 1.265 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001002481864 709015305 /nfs/dbraw/zinc/01/53/05/709015305.db2.gz VCOAFSQDUYWCGB-INIZCTEOSA-N 2 1 332.448 1.265 20 0 EDADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033897620 709018019 /nfs/dbraw/zinc/01/80/19/709018019.db2.gz MNWQFBCRNPNUNJ-JKSUJKDBSA-N 2 1 343.431 1.135 20 0 EDADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033897620 709018020 /nfs/dbraw/zinc/01/80/20/709018020.db2.gz MNWQFBCRNPNUNJ-JKSUJKDBSA-N 2 1 343.431 1.135 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033904413 709032200 /nfs/dbraw/zinc/03/22/00/709032200.db2.gz GHUKXJMJAFLGOF-VIHIWDAPSA-N 2 1 333.476 1.182 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033904413 709032205 /nfs/dbraw/zinc/03/22/05/709032205.db2.gz GHUKXJMJAFLGOF-VIHIWDAPSA-N 2 1 333.476 1.182 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033904413 709032209 /nfs/dbraw/zinc/03/22/09/709032209.db2.gz GHUKXJMJAFLGOF-VIHIWDAPSA-N 2 1 333.476 1.182 20 0 EDADMP CCc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC001002522099 709075733 /nfs/dbraw/zinc/07/57/33/709075733.db2.gz GUWNFXWIVPDTPN-LJQANCHMSA-N 2 1 345.487 1.660 20 0 EDADMP CCc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC001002522099 709075735 /nfs/dbraw/zinc/07/57/35/709075735.db2.gz GUWNFXWIVPDTPN-LJQANCHMSA-N 2 1 345.487 1.660 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](C(C)C)CCO1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033932063 709099143 /nfs/dbraw/zinc/09/91/43/709099143.db2.gz GDPDANQEXPIQPK-MSOLQXFVSA-N 2 1 337.508 1.985 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](C(C)C)CCO1)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033932063 709099146 /nfs/dbraw/zinc/09/91/46/709099146.db2.gz GDPDANQEXPIQPK-MSOLQXFVSA-N 2 1 337.508 1.985 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001033932063 709099149 /nfs/dbraw/zinc/09/91/49/709099149.db2.gz GDPDANQEXPIQPK-MSOLQXFVSA-N 2 1 337.508 1.985 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001033932063 709099152 /nfs/dbraw/zinc/09/91/52/709099152.db2.gz GDPDANQEXPIQPK-MSOLQXFVSA-N 2 1 337.508 1.985 20 0 EDADMP CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033951145 709131731 /nfs/dbraw/zinc/13/17/31/709131731.db2.gz BFDZWEOZSUERIQ-GOSISDBHSA-N 2 1 333.476 1.319 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001034017615 709235104 /nfs/dbraw/zinc/23/51/04/709235104.db2.gz SQIDJHSZHRVTQC-KRWDZBQOSA-N 2 1 343.475 1.304 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001034017615 709235108 /nfs/dbraw/zinc/23/51/08/709235108.db2.gz SQIDJHSZHRVTQC-KRWDZBQOSA-N 2 1 343.475 1.304 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001034147835 709418528 /nfs/dbraw/zinc/41/85/28/709418528.db2.gz CMWGIZBUNWGPMW-CABCVRRESA-N 2 1 345.434 1.333 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001034147835 709418529 /nfs/dbraw/zinc/41/85/29/709418529.db2.gz CMWGIZBUNWGPMW-CABCVRRESA-N 2 1 345.434 1.333 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034147835 709418530 /nfs/dbraw/zinc/41/85/30/709418530.db2.gz CMWGIZBUNWGPMW-CABCVRRESA-N 2 1 345.434 1.333 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034147835 709418531 /nfs/dbraw/zinc/41/85/31/709418531.db2.gz CMWGIZBUNWGPMW-CABCVRRESA-N 2 1 345.434 1.333 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002830600 709441842 /nfs/dbraw/zinc/44/18/42/709441842.db2.gz ASURBKPRLTYUCV-QGZVFWFLSA-N 2 1 332.448 1.405 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCCC[N@@H+](CC3CCC3)C2)n1 ZINC001034209163 709558596 /nfs/dbraw/zinc/55/85/96/709558596.db2.gz IOAOAUVQJMFOIM-QGZVFWFLSA-N 2 1 347.507 1.829 20 0 EDADMP COCC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034210988 709561765 /nfs/dbraw/zinc/56/17/65/709561765.db2.gz JVWKMOFTZHMELM-MRXNPFEDSA-N 2 1 325.497 1.868 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCCC[N@@H+](CCC3CC3)C2)n1 ZINC001034211094 709561808 /nfs/dbraw/zinc/56/18/08/709561808.db2.gz XNFKRLGUKSKKFX-KRWDZBQOSA-N 2 1 347.507 1.829 20 0 EDADMP C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034213212 709565208 /nfs/dbraw/zinc/56/52/08/709565208.db2.gz WGKZAMUQZWQEIE-JKSUJKDBSA-N 2 1 325.497 1.602 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](CCn3cccn3)C2)CC[NH+]1C ZINC001034215426 709569082 /nfs/dbraw/zinc/56/90/82/709569082.db2.gz ZIIDXSYYDRCSDS-IXDOHACOSA-N 2 1 333.480 1.194 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCn3cccn3)C2)CC[NH+]1C ZINC001034215426 709569085 /nfs/dbraw/zinc/56/90/85/709569085.db2.gz ZIIDXSYYDRCSDS-IXDOHACOSA-N 2 1 333.480 1.194 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCCC[NH+](CCCO)C1 ZINC001034248526 709609708 /nfs/dbraw/zinc/60/97/08/709609708.db2.gz DCLAALZUNJVFPD-DLBZAZTESA-N 2 1 325.497 1.602 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034248526 709609714 /nfs/dbraw/zinc/60/97/14/709609714.db2.gz DCLAALZUNJVFPD-DLBZAZTESA-N 2 1 325.497 1.602 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCCC[N@@H+](CCCO)C1 ZINC001034248526 709609717 /nfs/dbraw/zinc/60/97/17/709609717.db2.gz DCLAALZUNJVFPD-DLBZAZTESA-N 2 1 325.497 1.602 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034240126 709623749 /nfs/dbraw/zinc/62/37/49/709623749.db2.gz PIOVHVBOVNRTSZ-AEFFLSMTSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034240126 709623751 /nfs/dbraw/zinc/62/37/51/709623751.db2.gz PIOVHVBOVNRTSZ-AEFFLSMTSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccnn2C)C1 ZINC001034240126 709623756 /nfs/dbraw/zinc/62/37/56/709623756.db2.gz PIOVHVBOVNRTSZ-AEFFLSMTSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccnn2C)C1 ZINC001034240126 709623760 /nfs/dbraw/zinc/62/37/60/709623760.db2.gz PIOVHVBOVNRTSZ-AEFFLSMTSA-N 2 1 347.507 1.765 20 0 EDADMP Cc1c(C(=O)N[C@@H]2CCCC[N@H+](C[C@H](C)O)C2)ccc2c[nH+]cn21 ZINC001034286008 709689807 /nfs/dbraw/zinc/68/98/07/709689807.db2.gz VRFPHXLOXKDCBL-DZGCQCFKSA-N 2 1 330.432 1.608 20 0 EDADMP CCc1nc(N(C)[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc(C)[nH+]1 ZINC001061213951 709737418 /nfs/dbraw/zinc/73/74/18/709737418.db2.gz JNCMNVVGWUNHQD-HOTGVXAUSA-N 2 1 345.491 1.726 20 0 EDADMP CCc1nc(N(C)[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc(C)[nH+]1 ZINC001061213951 709737420 /nfs/dbraw/zinc/73/74/20/709737420.db2.gz JNCMNVVGWUNHQD-HOTGVXAUSA-N 2 1 345.491 1.726 20 0 EDADMP COCC[N@@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034311733 709756725 /nfs/dbraw/zinc/75/67/25/709756725.db2.gz IYJTYXZJQINKOL-HNNXBMFYSA-N 2 1 334.464 1.379 20 0 EDADMP COCC[N@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034311733 709756727 /nfs/dbraw/zinc/75/67/27/709756727.db2.gz IYJTYXZJQINKOL-HNNXBMFYSA-N 2 1 334.464 1.379 20 0 EDADMP O=C(N[C@H]1CCCC[N@H+](CCCF)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034319519 709768816 /nfs/dbraw/zinc/76/88/16/709768816.db2.gz IKENGXJOAAHGBL-BNQMIIOLSA-N 2 1 339.455 1.180 20 0 EDADMP O=C(N[C@H]1CCCC[NH+](CCCF)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001034319519 709768819 /nfs/dbraw/zinc/76/88/19/709768819.db2.gz IKENGXJOAAHGBL-BNQMIIOLSA-N 2 1 339.455 1.180 20 0 EDADMP O=C(N[C@H]1CCCC[NH+](CCCF)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001034319519 709768821 /nfs/dbraw/zinc/76/88/21/709768821.db2.gz IKENGXJOAAHGBL-BNQMIIOLSA-N 2 1 339.455 1.180 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3ccccn3)C2)CC1 ZINC001034385807 709914602 /nfs/dbraw/zinc/91/46/02/709914602.db2.gz OKIWKQYUUWYOAO-SFHVURJKSA-N 2 1 330.476 1.894 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)ncn1 ZINC001034386900 709915712 /nfs/dbraw/zinc/91/57/12/709915712.db2.gz VDNYQEXZHZNBNP-KRWDZBQOSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)ncn1 ZINC001034386900 709915714 /nfs/dbraw/zinc/91/57/14/709915714.db2.gz VDNYQEXZHZNBNP-KRWDZBQOSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034400226 709943784 /nfs/dbraw/zinc/94/37/84/709943784.db2.gz XBRFZYJJSYUBFF-HOCLYGCPSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034400226 709943787 /nfs/dbraw/zinc/94/37/87/709943787.db2.gz XBRFZYJJSYUBFF-HOCLYGCPSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1ncoc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034400226 709943790 /nfs/dbraw/zinc/94/37/90/709943790.db2.gz XBRFZYJJSYUBFF-HOCLYGCPSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034400226 709943793 /nfs/dbraw/zinc/94/37/93/709943793.db2.gz XBRFZYJJSYUBFF-HOCLYGCPSA-N 2 1 334.464 1.938 20 0 EDADMP CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444734 709988583 /nfs/dbraw/zinc/98/85/83/709988583.db2.gz KOTPTMHHIJRXJL-KRWDZBQOSA-N 2 1 346.475 1.079 20 0 EDADMP CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444734 709988587 /nfs/dbraw/zinc/98/85/87/709988587.db2.gz KOTPTMHHIJRXJL-KRWDZBQOSA-N 2 1 346.475 1.079 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034488414 710137430 /nfs/dbraw/zinc/13/74/30/710137430.db2.gz VPDFTUIZTIHOSL-QGZVFWFLSA-N 2 1 345.491 1.295 20 0 EDADMP Cc1csc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034526183 710177357 /nfs/dbraw/zinc/17/73/57/710177357.db2.gz VJNMIWKWQMEFTM-HUUCEWRRSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1csc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001034526183 710177360 /nfs/dbraw/zinc/17/73/60/710177360.db2.gz VJNMIWKWQMEFTM-HUUCEWRRSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1csc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034526183 710177362 /nfs/dbraw/zinc/17/73/62/710177362.db2.gz VJNMIWKWQMEFTM-HUUCEWRRSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1csc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034526183 710177365 /nfs/dbraw/zinc/17/73/65/710177365.db2.gz VJNMIWKWQMEFTM-HUUCEWRRSA-N 2 1 336.505 1.874 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034534101 710195224 /nfs/dbraw/zinc/19/52/24/710195224.db2.gz HQNQZXIVGPGCOG-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034534101 710195226 /nfs/dbraw/zinc/19/52/26/710195226.db2.gz HQNQZXIVGPGCOG-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](CC3CCCC3)C2)C1 ZINC001034534101 710195227 /nfs/dbraw/zinc/19/52/27/710195227.db2.gz HQNQZXIVGPGCOG-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CCCC3)C2)C1 ZINC001034534101 710195230 /nfs/dbraw/zinc/19/52/30/710195230.db2.gz HQNQZXIVGPGCOG-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC001034612561 710287676 /nfs/dbraw/zinc/28/76/76/710287676.db2.gz SVMZAIYIXGRIQK-BRWVUGGUSA-N 2 1 346.475 1.701 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]CCO)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001034644090 710320046 /nfs/dbraw/zinc/32/00/46/710320046.db2.gz HOFZNKVYPBQROI-BRWVUGGUSA-N 2 1 337.508 1.650 20 0 EDADMP CC[C@@H](F)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001003497314 710382238 /nfs/dbraw/zinc/38/22/38/710382238.db2.gz SSYPLMHHACHZLK-GDBMZVCRSA-N 2 1 329.460 1.424 20 0 EDADMP CC[C@@H](F)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001003497314 710382241 /nfs/dbraw/zinc/38/22/41/710382241.db2.gz SSYPLMHHACHZLK-GDBMZVCRSA-N 2 1 329.460 1.424 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)c1 ZINC001003625067 710453684 /nfs/dbraw/zinc/45/36/84/710453684.db2.gz ALKKUSALRMRHGC-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)c1 ZINC001003625067 710453685 /nfs/dbraw/zinc/45/36/85/710453685.db2.gz ALKKUSALRMRHGC-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC001003625636 710454808 /nfs/dbraw/zinc/45/48/08/710454808.db2.gz HXXHELPNHBJJRO-GDBMZVCRSA-N 2 1 345.491 1.768 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC001003625636 710454809 /nfs/dbraw/zinc/45/48/09/710454809.db2.gz HXXHELPNHBJJRO-GDBMZVCRSA-N 2 1 345.491 1.768 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003626920 710455699 /nfs/dbraw/zinc/45/56/99/710455699.db2.gz XMKQDRJWDARQNK-CYBMUJFWSA-N 2 1 334.464 1.714 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001003628713 710458434 /nfs/dbraw/zinc/45/84/34/710458434.db2.gz VCDPYKXMZIWMTO-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001003628714 710458731 /nfs/dbraw/zinc/45/87/31/710458731.db2.gz VCDPYKXMZIWMTO-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001003631164 710460441 /nfs/dbraw/zinc/46/04/41/710460441.db2.gz RWVJIELILXUSHD-AWEZNQCLSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001003631164 710460442 /nfs/dbraw/zinc/46/04/42/710460442.db2.gz RWVJIELILXUSHD-AWEZNQCLSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001034672865 710607253 /nfs/dbraw/zinc/60/72/53/710607253.db2.gz SVKLXSYCRLSHPL-JFIYKMOQSA-N 2 1 345.491 1.786 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC001034673548 710611384 /nfs/dbraw/zinc/61/13/84/710611384.db2.gz CLXBKTHQYFDFPB-KKUMJFAQSA-N 2 1 335.452 1.379 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001034673548 710611385 /nfs/dbraw/zinc/61/13/85/710611385.db2.gz CLXBKTHQYFDFPB-KKUMJFAQSA-N 2 1 335.452 1.379 20 0 EDADMP Cn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001034672010 710617867 /nfs/dbraw/zinc/61/78/67/710617867.db2.gz GOSOMTUWUHBZQE-KZNAEPCWSA-N 2 1 347.507 1.464 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)on1 ZINC001034673970 710637264 /nfs/dbraw/zinc/63/72/64/710637264.db2.gz IGGFYVJPCDXUOQ-ZOBUZTSGSA-N 2 1 334.464 1.984 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2cnn(C)c2)CC1 ZINC001034692487 710782024 /nfs/dbraw/zinc/78/20/24/710782024.db2.gz KNSUFHQXTUFVJG-QAQDUYKDSA-N 2 1 344.463 1.185 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1 ZINC001034693262 710783605 /nfs/dbraw/zinc/78/36/05/710783605.db2.gz VQUUARRYUBSFPV-HDJSIYSDSA-N 2 1 333.461 1.865 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3nccn3C)CC2)C1 ZINC001034733899 710914789 /nfs/dbraw/zinc/91/47/89/710914789.db2.gz GPAPIUHRCHJYMZ-JYJNAYRXSA-N 2 1 333.480 1.279 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCc3ccnn3C)CC2)C1 ZINC001034733846 710914826 /nfs/dbraw/zinc/91/48/26/710914826.db2.gz DYCWBHNWDPYPKL-ULQDDVLXSA-N 2 1 347.507 1.321 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)nn1C ZINC001034734557 710916672 /nfs/dbraw/zinc/91/66/72/710916672.db2.gz RGDCCJZXDFNIIN-DJIMGWMZSA-N 2 1 347.507 1.587 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001034734801 710917962 /nfs/dbraw/zinc/91/79/62/710917962.db2.gz ZHLNIJKVSKVQGV-XIRDDKMYSA-N 2 1 345.491 1.644 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC001034734973 710918498 /nfs/dbraw/zinc/91/84/98/710918498.db2.gz CTZZOCWNYVFPLZ-FVQBIDKESA-N 2 1 334.464 1.984 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034738823 710931731 /nfs/dbraw/zinc/93/17/31/710931731.db2.gz VQQQFOWWMIQCDH-QCEMKRCNSA-N 2 1 334.464 1.698 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032958951 710981854 /nfs/dbraw/zinc/98/18/54/710981854.db2.gz CKBINHXGGNABLW-LSDHHAIUSA-N 2 1 336.505 1.621 20 0 EDADMP Cc1ncsc1CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032958951 710981857 /nfs/dbraw/zinc/98/18/57/710981857.db2.gz CKBINHXGGNABLW-LSDHHAIUSA-N 2 1 336.505 1.621 20 0 EDADMP Cc1ncsc1CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032958951 710981859 /nfs/dbraw/zinc/98/18/59/710981859.db2.gz CKBINHXGGNABLW-LSDHHAIUSA-N 2 1 336.505 1.621 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)CC2)o1 ZINC001034763322 711035047 /nfs/dbraw/zinc/03/50/47/711035047.db2.gz NRGFGFFYIPQOMM-WKILWMFISA-N 2 1 349.479 1.627 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC001034776696 711054042 /nfs/dbraw/zinc/05/40/42/711054042.db2.gz XUUHBPSFYFQHIM-BRSBDYLESA-N 2 1 337.508 1.914 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](Cc2ccccn2)CC1 ZINC001005712917 711087296 /nfs/dbraw/zinc/08/72/96/711087296.db2.gz JZEWJGLNSHDOAL-UHFFFAOYSA-N 2 1 327.432 1.710 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034794234 711110188 /nfs/dbraw/zinc/11/01/88/711110188.db2.gz COKGPCMALDQRJF-QAQDUYKDSA-N 2 1 334.464 1.635 20 0 EDADMP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001034792153 711118692 /nfs/dbraw/zinc/11/86/92/711118692.db2.gz GFMZAWJDVVNYMM-MXAVVETBSA-N 2 1 334.468 1.143 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1csnn1 ZINC001034793213 711122371 /nfs/dbraw/zinc/12/23/71/711122371.db2.gz SPVZQZAQPBGHOB-CRWXNKLISA-N 2 1 337.493 1.568 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1ncccn1 ZINC001034793304 711123193 /nfs/dbraw/zinc/12/31/93/711123193.db2.gz VUHXYXFATRQUMX-VGWMRTNUSA-N 2 1 331.464 1.506 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001003968644 711140469 /nfs/dbraw/zinc/14/04/69/711140469.db2.gz SIXHGKSAXXFQSP-WBVHZDCISA-N 2 1 347.507 1.621 20 0 EDADMP Cc1ncc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2)o1 ZINC001034810251 711170801 /nfs/dbraw/zinc/17/08/01/711170801.db2.gz CDDXITCULJIARW-GOSISDBHSA-N 2 1 342.443 1.983 20 0 EDADMP Cc1ncc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2)o1 ZINC001034810251 711170803 /nfs/dbraw/zinc/17/08/03/711170803.db2.gz CDDXITCULJIARW-GOSISDBHSA-N 2 1 342.443 1.983 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(C)nc1 ZINC001034954413 711420383 /nfs/dbraw/zinc/42/03/83/711420383.db2.gz PUNDYINFISQIHB-MSOLQXFVSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1cccnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034939460 711442438 /nfs/dbraw/zinc/44/24/38/711442438.db2.gz BDCPKAWWVICMIT-BRWVUGGUSA-N 2 1 330.476 1.811 20 0 EDADMP CCCn1cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](CC)[C@@H]3C(C)C)C[C@H]2O)nn1 ZINC000922395570 711469124 /nfs/dbraw/zinc/46/91/24/711469124.db2.gz TXEFXZIZIIZDBD-TVFCKZIOSA-N 2 1 335.496 1.648 20 0 EDADMP CCCn1cc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@H]2O)nn1 ZINC000922395570 711469126 /nfs/dbraw/zinc/46/91/26/711469126.db2.gz TXEFXZIZIIZDBD-TVFCKZIOSA-N 2 1 335.496 1.648 20 0 EDADMP COCc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001004146714 711557379 /nfs/dbraw/zinc/55/73/79/711557379.db2.gz ZXQQHGZUBJXXJA-SFHVURJKSA-N 2 1 345.487 1.865 20 0 EDADMP COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623378 711922962 /nfs/dbraw/zinc/92/29/62/711922962.db2.gz JPLNERDMHHOOIA-ZACQAIPSSA-N 2 1 337.508 1.676 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nccn3C)C[C@H]2CC1)[NH+](C)C ZINC000946642691 712128586 /nfs/dbraw/zinc/12/85/86/712128586.db2.gz PRQYKLASEXPMSM-IXDOHACOSA-N 2 1 347.507 1.431 20 0 EDADMP CCC(CC)[C@H](C(=O)NCC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000152750753 282254284 /nfs/dbraw/zinc/25/42/84/282254284.db2.gz ZFBGNEGYJVJCMA-NVXWUHKLSA-N 2 1 325.497 1.629 20 0 EDADMP CC(C)[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000101976263 219177778 /nfs/dbraw/zinc/17/77/78/219177778.db2.gz RFPQWZKYHQLYMU-UHFFFAOYSA-N 2 1 348.491 1.658 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000101976263 219177780 /nfs/dbraw/zinc/17/77/80/219177780.db2.gz RFPQWZKYHQLYMU-UHFFFAOYSA-N 2 1 348.491 1.658 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434101239 539559766 /nfs/dbraw/zinc/55/97/66/539559766.db2.gz DOEOXFPCGKNMDH-OAHLLOKOSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434101239 539559770 /nfs/dbraw/zinc/55/97/70/539559770.db2.gz DOEOXFPCGKNMDH-OAHLLOKOSA-N 2 1 328.501 1.469 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000412426586 304006855 /nfs/dbraw/zinc/00/68/55/304006855.db2.gz NPNPGRLTRDAALQ-KRWDZBQOSA-N 2 1 325.497 1.770 20 0 EDADMP C[NH+]1CCN(c2ccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339070542 539699995 /nfs/dbraw/zinc/69/99/95/539699995.db2.gz ZMPNDIIEKVMSMJ-ROUUACIJSA-N 2 1 329.492 1.550 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000339275497 539705442 /nfs/dbraw/zinc/70/54/42/539705442.db2.gz LKSUIHNRUMPTDQ-KRWDZBQOSA-N 2 1 347.507 1.719 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000339275497 539705444 /nfs/dbraw/zinc/70/54/44/539705444.db2.gz LKSUIHNRUMPTDQ-KRWDZBQOSA-N 2 1 347.507 1.719 20 0 EDADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000339275497 539705447 /nfs/dbraw/zinc/70/54/47/539705447.db2.gz LKSUIHNRUMPTDQ-KRWDZBQOSA-N 2 1 347.507 1.719 20 0 EDADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000339275497 539705449 /nfs/dbraw/zinc/70/54/49/539705449.db2.gz LKSUIHNRUMPTDQ-KRWDZBQOSA-N 2 1 347.507 1.719 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+](CC)CC)C1 ZINC000342975714 539768246 /nfs/dbraw/zinc/76/82/46/539768246.db2.gz JIGCXTHOQYMZPB-HZPDHXFCSA-N 2 1 340.512 1.023 20 0 EDADMP COc1cccc([C@H](CNC(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)[NH+](C)C)c1 ZINC000343283599 539781806 /nfs/dbraw/zinc/78/18/06/539781806.db2.gz DCEHENQHERGHJX-ULQDDVLXSA-N 2 1 335.448 1.133 20 0 EDADMP COc1cccc([C@H](CNC(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)[NH+](C)C)c1 ZINC000343283599 539781812 /nfs/dbraw/zinc/78/18/12/539781812.db2.gz DCEHENQHERGHJX-ULQDDVLXSA-N 2 1 335.448 1.133 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)CC2CCCCC2)[N@@H+](C)C1 ZINC000346699720 539857222 /nfs/dbraw/zinc/85/72/22/539857222.db2.gz NZIACJRFEWCWAX-IRXDYDNUSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352803533 539927749 /nfs/dbraw/zinc/92/77/49/539927749.db2.gz OKXZGDSRHZZEMI-AVEIZBFRSA-N 2 1 325.497 1.015 20 0 EDADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352803533 539927753 /nfs/dbraw/zinc/92/77/53/539927753.db2.gz OKXZGDSRHZZEMI-AVEIZBFRSA-N 2 1 325.497 1.015 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)CCc3cnc[nH]3)CCCC2)CC1 ZINC000353446865 539933746 /nfs/dbraw/zinc/93/37/46/539933746.db2.gz MWHSLDACHOYMEO-UHFFFAOYSA-N 2 1 334.464 1.882 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000412848948 304040910 /nfs/dbraw/zinc/04/09/10/304040910.db2.gz SRHVHQJTMKUSBJ-QGZVFWFLSA-N 2 1 330.476 1.653 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000369648963 283092558 /nfs/dbraw/zinc/09/25/58/283092558.db2.gz OYKBIMIKUGZTPX-FUHWJXTLSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)NCCCCN2CC[NH+](C)CC2)cc1 ZINC000563378163 306330673 /nfs/dbraw/zinc/33/06/73/306330673.db2.gz LOCGLFXSYNBRRK-UHFFFAOYSA-N 2 1 346.519 1.548 20 0 EDADMP O=C(NCC[NH+]1CCCCC1)NCC[N@H+]1CCc2ccccc2C1 ZINC000045196156 138112718 /nfs/dbraw/zinc/11/27/18/138112718.db2.gz OGBAYNWWWCHXIT-UHFFFAOYSA-N 2 1 330.476 1.830 20 0 EDADMP COc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000042293693 138106813 /nfs/dbraw/zinc/10/68/13/138106813.db2.gz DPJFLJKLSIGCOO-UHFFFAOYSA-N 2 1 331.460 1.870 20 0 EDADMP COc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000042293693 138106815 /nfs/dbraw/zinc/10/68/15/138106815.db2.gz DPJFLJKLSIGCOO-UHFFFAOYSA-N 2 1 331.460 1.870 20 0 EDADMP C[C@@]1(C[NH3+])CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000563559265 306338821 /nfs/dbraw/zinc/33/88/21/306338821.db2.gz PTAVJMUIIYMCAG-KRWDZBQOSA-N 2 1 338.496 1.402 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000077208564 138251994 /nfs/dbraw/zinc/25/19/94/138251994.db2.gz NALSQGQSPDTNLP-KRWDZBQOSA-N 2 1 339.528 1.045 20 0 EDADMP O=S(=O)(C1CC1)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090231560 138278317 /nfs/dbraw/zinc/27/83/17/138278317.db2.gz XDOYAXAPARLVOT-HUUCEWRRSA-N 2 1 327.494 1.159 20 0 EDADMP O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000104959797 138300721 /nfs/dbraw/zinc/30/07/21/138300721.db2.gz CFXNSQIQGZTMBE-INIZCTEOSA-N 2 1 336.480 1.516 20 0 EDADMP O=C1CNC(=O)N1CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000104959797 138300722 /nfs/dbraw/zinc/30/07/22/138300722.db2.gz CFXNSQIQGZTMBE-INIZCTEOSA-N 2 1 336.480 1.516 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCN2CCOCC2)CC1 ZINC000092974893 138291221 /nfs/dbraw/zinc/29/12/21/138291221.db2.gz DWRZESJXDRIPQR-UHFFFAOYSA-N 2 1 346.519 1.593 20 0 EDADMP C[C@@H]1CN(C(=O)C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000119098622 138313469 /nfs/dbraw/zinc/31/34/69/138313469.db2.gz NCRZACSKUUKGLF-NUJGCVRESA-N 2 1 337.508 1.819 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NC[C@H]3CCC[N@H+]3C)CC2)[nH+]1 ZINC000117039344 138312121 /nfs/dbraw/zinc/31/21/21/138312121.db2.gz HHKSYEZIOULZIJ-MRXNPFEDSA-N 2 1 331.464 1.752 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NC[C@H]3CCC[N@@H+]3C)CC2)[nH+]1 ZINC000117039344 138312122 /nfs/dbraw/zinc/31/21/22/138312122.db2.gz HHKSYEZIOULZIJ-MRXNPFEDSA-N 2 1 331.464 1.752 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000563609797 306341727 /nfs/dbraw/zinc/34/17/27/306341727.db2.gz PINLCIIWNFVSDN-SJLPKXTDSA-N 2 1 346.475 1.281 20 0 EDADMP CC(C)C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000133480821 138393907 /nfs/dbraw/zinc/39/39/07/138393907.db2.gz YAHMZMGKOBJXKP-OALUTQOASA-N 2 1 347.503 1.980 20 0 EDADMP CC(C)C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000133480821 138393909 /nfs/dbraw/zinc/39/39/09/138393909.db2.gz YAHMZMGKOBJXKP-OALUTQOASA-N 2 1 347.503 1.980 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000447302751 305277444 /nfs/dbraw/zinc/27/74/44/305277444.db2.gz FYNUIGHQLIUSEY-UIBIWLFHSA-N 2 1 328.497 1.641 20 0 EDADMP [NH3+]CC1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564064097 306354648 /nfs/dbraw/zinc/35/46/48/306354648.db2.gz HDRWDTNVNCAKEO-GOSISDBHSA-N 2 1 330.476 1.889 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C[NH3+])c2ccccc2)[C@H](C)C1 ZINC000564089290 306355628 /nfs/dbraw/zinc/35/56/28/306355628.db2.gz GSIBREFFBZKYSN-QRQLOZEOSA-N 2 1 347.503 1.982 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCC[NH+]1CCSCC1 ZINC000447958897 305289639 /nfs/dbraw/zinc/28/96/39/305289639.db2.gz LCYFACJTHRQIFV-CQSZACIVSA-N 2 1 328.526 1.455 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000564318539 306358133 /nfs/dbraw/zinc/35/81/33/306358133.db2.gz MRJBLPMPBXHTMO-QZTJIDSGSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000564318539 306358134 /nfs/dbraw/zinc/35/81/34/306358134.db2.gz MRJBLPMPBXHTMO-QZTJIDSGSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000564318539 306358135 /nfs/dbraw/zinc/35/81/35/306358135.db2.gz MRJBLPMPBXHTMO-QZTJIDSGSA-N 2 1 330.476 1.846 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000564654637 306362368 /nfs/dbraw/zinc/36/23/68/306362368.db2.gz HNETYDVCPWZFCK-PKOBYXMFSA-N 2 1 328.460 1.506 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000565209278 306378424 /nfs/dbraw/zinc/37/84/24/306378424.db2.gz JVABNQWCLTYLMA-UHFFFAOYSA-N 2 1 347.503 1.974 20 0 EDADMP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+]1CCCC[C@H]1C ZINC000414697352 304128724 /nfs/dbraw/zinc/12/87/24/304128724.db2.gz HAQVVNCYPIZWSS-KGLIPLIRSA-N 2 1 344.459 1.607 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000414702192 304129669 /nfs/dbraw/zinc/12/96/69/304129669.db2.gz UVOXDDFRVWLNED-CEXWTWQISA-N 3 1 338.540 1.101 20 0 EDADMP CC(C)N1CCO[C@H](CN2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000414702192 304129670 /nfs/dbraw/zinc/12/96/70/304129670.db2.gz UVOXDDFRVWLNED-CEXWTWQISA-N 2 1 338.540 1.101 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCSC3(CCCCC3)C2)C1 ZINC000414702136 304129829 /nfs/dbraw/zinc/12/98/29/304129829.db2.gz HWXIMWBSXJOCEC-HNNXBMFYSA-N 2 1 325.522 1.935 20 0 EDADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)C12CCCC2 ZINC000414717138 304132335 /nfs/dbraw/zinc/13/23/35/304132335.db2.gz XUDHEMMZKDAXDR-GVDBMIGSSA-N 2 1 337.508 1.853 20 0 EDADMP C[N@@H+](CCCOCc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414741361 304135792 /nfs/dbraw/zinc/13/57/92/304135792.db2.gz KSAUSJTUBVRSDF-SFHVURJKSA-N 2 1 333.476 1.722 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)C1 ZINC000414746115 304136340 /nfs/dbraw/zinc/13/63/40/304136340.db2.gz QEEHNVVLSJFWQB-ZIAGYGMSSA-N 2 1 337.414 1.951 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000414785352 304140444 /nfs/dbraw/zinc/14/04/44/304140444.db2.gz SMVCNVVQUWZAHM-IRXDYDNUSA-N 2 1 348.491 1.885 20 0 EDADMP CN(c1ccccc1C[N@@H+]1CCCO[C@H](C[NH3+])C1)C1CC[NH+](C)CC1 ZINC000415115681 304160858 /nfs/dbraw/zinc/16/08/58/304160858.db2.gz XBPRSVYAWXMWPA-LJQANCHMSA-N 3 1 346.519 1.767 20 0 EDADMP CN(c1ccccc1C[N@H+]1CCCO[C@H](C[NH3+])C1)C1CC[NH+](C)CC1 ZINC000415115681 304160860 /nfs/dbraw/zinc/16/08/60/304160860.db2.gz XBPRSVYAWXMWPA-LJQANCHMSA-N 3 1 346.519 1.767 20 0 EDADMP COc1cc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1O ZINC000194975510 139003572 /nfs/dbraw/zinc/00/35/72/139003572.db2.gz CSOFEJSLEWYJTJ-OAHLLOKOSA-N 2 1 333.432 1.139 20 0 EDADMP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000195031399 139005197 /nfs/dbraw/zinc/00/51/97/139005197.db2.gz KYOAGZQQKSGJNU-SJORKVTESA-N 2 1 329.448 1.721 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000195031399 139005198 /nfs/dbraw/zinc/00/51/98/139005198.db2.gz KYOAGZQQKSGJNU-SJORKVTESA-N 2 1 329.448 1.721 20 0 EDADMP CCc1nn(C)c(CC)c1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415142022 304163867 /nfs/dbraw/zinc/16/38/67/304163867.db2.gz QKWWZEINULDNLP-QAPCUYQASA-N 2 1 332.492 1.745 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[N@@H+]1CCc2ccccc2C1 ZINC000078596234 217082659 /nfs/dbraw/zinc/08/26/59/217082659.db2.gz JKSLJKGBKOLHMR-ATZDWAIDSA-N 2 1 343.471 1.413 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[N@H+]1CCc2ccccc2C1 ZINC000078596234 217082660 /nfs/dbraw/zinc/08/26/60/217082660.db2.gz JKSLJKGBKOLHMR-ATZDWAIDSA-N 2 1 343.471 1.413 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCc2ccccc2C1 ZINC000078596234 217082661 /nfs/dbraw/zinc/08/26/61/217082661.db2.gz JKSLJKGBKOLHMR-ATZDWAIDSA-N 2 1 343.471 1.413 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCc2ccccc2C1 ZINC000078596234 217082662 /nfs/dbraw/zinc/08/26/62/217082662.db2.gz JKSLJKGBKOLHMR-ATZDWAIDSA-N 2 1 343.471 1.413 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000236934038 139035699 /nfs/dbraw/zinc/03/56/99/139035699.db2.gz IBDOIEUNCSHJSA-NUJGCVRESA-N 2 1 332.492 1.687 20 0 EDADMP CC[C@@H](NC(=O)CC(C)(C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236882737 139034175 /nfs/dbraw/zinc/03/41/75/139034175.db2.gz TUVUNHPWOPYRQW-IAGOWNOFSA-N 2 1 333.476 1.910 20 0 EDADMP CC[C@@H](NC(=O)CC(C)(C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236882737 139034176 /nfs/dbraw/zinc/03/41/76/139034176.db2.gz TUVUNHPWOPYRQW-IAGOWNOFSA-N 2 1 333.476 1.910 20 0 EDADMP C[N@@H+](CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1)C1CCCCC1 ZINC000237074620 139039853 /nfs/dbraw/zinc/03/98/53/139039853.db2.gz CFGCNHMOFSLMIS-UHFFFAOYSA-N 2 1 348.495 1.587 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000237187318 139043414 /nfs/dbraw/zinc/04/34/14/139043414.db2.gz YXZVIYYCQUQVGV-WBVHZDCISA-N 2 1 344.459 1.401 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)nc(C)[nH+]1 ZINC000237288814 139046761 /nfs/dbraw/zinc/04/67/61/139046761.db2.gz IABYUDNNJFIGSQ-HZPDHXFCSA-N 2 1 331.464 1.648 20 0 EDADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C1 ZINC000378513630 284349952 /nfs/dbraw/zinc/34/99/52/284349952.db2.gz SWHRBFGKRPXMQN-MRXNPFEDSA-N 2 1 347.507 1.525 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C1 ZINC000378513630 284349954 /nfs/dbraw/zinc/34/99/54/284349954.db2.gz SWHRBFGKRPXMQN-MRXNPFEDSA-N 2 1 347.507 1.525 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C1 ZINC000378513630 284349955 /nfs/dbraw/zinc/34/99/55/284349955.db2.gz SWHRBFGKRPXMQN-MRXNPFEDSA-N 2 1 347.507 1.525 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C1 ZINC000378513630 284349957 /nfs/dbraw/zinc/34/99/57/284349957.db2.gz SWHRBFGKRPXMQN-MRXNPFEDSA-N 2 1 347.507 1.525 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H]1C[NH3+] ZINC000237422566 139050790 /nfs/dbraw/zinc/05/07/90/139050790.db2.gz OJCWIQBNGPIEIO-KBAYOESNSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H]1C[NH3+] ZINC000237422566 139050791 /nfs/dbraw/zinc/05/07/91/139050791.db2.gz OJCWIQBNGPIEIO-KBAYOESNSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000237510954 139052979 /nfs/dbraw/zinc/05/29/79/139052979.db2.gz WVIKGPSOMPCWDF-FXAWDEMLSA-N 2 1 344.503 1.846 20 0 EDADMP C[C@@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H]2CNCCO2)CC1 ZINC000237496496 139052591 /nfs/dbraw/zinc/05/25/91/139052591.db2.gz UXPRUDQEDUECKX-BBRMVZONSA-N 2 1 337.851 1.534 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000111796243 220191095 /nfs/dbraw/zinc/19/10/95/220191095.db2.gz WKONMJMLSDZMTE-GJZGRUSLSA-N 2 1 338.452 1.292 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000111796243 220191098 /nfs/dbraw/zinc/19/10/98/220191098.db2.gz WKONMJMLSDZMTE-GJZGRUSLSA-N 2 1 338.452 1.292 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000111864807 220213955 /nfs/dbraw/zinc/21/39/55/220213955.db2.gz XHOCWNZRGAZPNU-KRWDZBQOSA-N 2 1 340.512 1.709 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(C[NH3+])cc3)C2)C1 ZINC000415245491 304178118 /nfs/dbraw/zinc/17/81/18/304178118.db2.gz PBHRQTCRJAEGFC-GOSISDBHSA-N 2 1 330.432 1.028 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)C1 ZINC000415290094 304186805 /nfs/dbraw/zinc/18/68/05/304186805.db2.gz BQDUMBPCUNTPLO-GOEBONIOSA-N 2 1 344.459 1.417 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)CCO1 ZINC000246228277 139100172 /nfs/dbraw/zinc/10/01/72/139100172.db2.gz HMGOMXOOPWXLHQ-ATLSCFEFSA-N 2 1 335.492 1.619 20 0 EDADMP CO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000246146309 139096698 /nfs/dbraw/zinc/09/66/98/139096698.db2.gz SCDZFFFCDYIFGB-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000246146309 139096699 /nfs/dbraw/zinc/09/66/99/139096699.db2.gz SCDZFFFCDYIFGB-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@@H]1CCC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000246146309 139096700 /nfs/dbraw/zinc/09/67/00/139096700.db2.gz SCDZFFFCDYIFGB-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@@H]1CCC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000246146309 139096701 /nfs/dbraw/zinc/09/67/01/139096701.db2.gz SCDZFFFCDYIFGB-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)s1 ZINC000246501988 139111061 /nfs/dbraw/zinc/11/10/61/139111061.db2.gz SPKCGVHEKPPAIU-YRGRVCCFSA-N 2 1 345.534 1.653 20 0 EDADMP C[NH2+]CCNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000415356476 304202482 /nfs/dbraw/zinc/20/24/82/304202482.db2.gz FWTYLTJDZIXEKC-ZDUSSCGKSA-N 2 1 332.448 1.321 20 0 EDADMP COc1cccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248026793 139157296 /nfs/dbraw/zinc/15/72/96/139157296.db2.gz PJHWFZPLWOHOIL-GGPKGHCWSA-N 2 1 348.487 1.989 20 0 EDADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248026793 139157297 /nfs/dbraw/zinc/15/72/97/139157297.db2.gz PJHWFZPLWOHOIL-GGPKGHCWSA-N 2 1 348.487 1.989 20 0 EDADMP COc1cccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248026793 139157298 /nfs/dbraw/zinc/15/72/98/139157298.db2.gz PJHWFZPLWOHOIL-GGPKGHCWSA-N 2 1 348.487 1.989 20 0 EDADMP CNC(=O)NC(=O)CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821005 218171515 /nfs/dbraw/zinc/17/15/15/218171515.db2.gz BVEDAVRFFMCDRS-UHFFFAOYSA-N 2 1 347.463 1.466 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)CC1 ZINC000093132925 218196592 /nfs/dbraw/zinc/19/65/92/218196592.db2.gz AWANTHXWMBGOLE-IBGZPJMESA-N 2 1 330.476 1.857 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000410771525 250373173 /nfs/dbraw/zinc/37/31/73/250373173.db2.gz AEUCDLOSSLATPM-IYBDPMFKSA-N 2 1 340.512 1.115 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)C(C)C ZINC000410771525 250373176 /nfs/dbraw/zinc/37/31/76/250373176.db2.gz AEUCDLOSSLATPM-IYBDPMFKSA-N 2 1 340.512 1.115 20 0 EDADMP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000249748637 139198109 /nfs/dbraw/zinc/19/81/09/139198109.db2.gz BBMHMJDMIAHGPT-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000249748637 139198110 /nfs/dbraw/zinc/19/81/10/139198110.db2.gz BBMHMJDMIAHGPT-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP COCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000261551743 139208898 /nfs/dbraw/zinc/20/88/98/139208898.db2.gz XFWFPFVHBBGIDY-GOSISDBHSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261764124 139224040 /nfs/dbraw/zinc/22/40/40/139224040.db2.gz LXUHTKNLFJPLQV-AYOQOUSVSA-N 2 1 345.487 1.910 20 0 EDADMP O=C(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)NCc1ccccc1 ZINC000261865517 139232566 /nfs/dbraw/zinc/23/25/66/139232566.db2.gz CNSWIXFSVRYRJK-RCCFBDPRSA-N 2 1 331.460 1.440 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C[NH3+])C1 ZINC000261911435 139236381 /nfs/dbraw/zinc/23/63/81/139236381.db2.gz XOHRRSNJRCJGMN-BPQIPLTHSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C[NH3+])C1 ZINC000261911435 139236382 /nfs/dbraw/zinc/23/63/82/139236382.db2.gz XOHRRSNJRCJGMN-BPQIPLTHSA-N 2 1 331.460 1.473 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000261936443 139238459 /nfs/dbraw/zinc/23/84/59/139238459.db2.gz DHYKGLWQZWCWNC-KRWDZBQOSA-N 2 1 341.459 1.896 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000261936443 139238460 /nfs/dbraw/zinc/23/84/60/139238460.db2.gz DHYKGLWQZWCWNC-KRWDZBQOSA-N 2 1 341.459 1.896 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000261936293 139238549 /nfs/dbraw/zinc/23/85/49/139238549.db2.gz DFNRTROIKTVCSD-LJQANCHMSA-N 2 1 347.459 1.396 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000261936293 139238550 /nfs/dbraw/zinc/23/85/50/139238550.db2.gz DFNRTROIKTVCSD-LJQANCHMSA-N 2 1 347.459 1.396 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](c2nc(C3([NH3+])CCC3)no2)CC1=O ZINC000261999432 139242930 /nfs/dbraw/zinc/24/29/30/139242930.db2.gz TYYDFROHOPXXPQ-OLZOCXBDSA-N 2 1 333.436 1.208 20 0 EDADMP C[C@]1(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)CC[NH2+]C1 ZINC000262028384 139245034 /nfs/dbraw/zinc/24/50/34/139245034.db2.gz NTLVHDBDIRTDFJ-IBGZPJMESA-N 2 1 333.451 1.902 20 0 EDADMP C[C@]1(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)CC[NH2+]C1 ZINC000262028384 139245035 /nfs/dbraw/zinc/24/50/35/139245035.db2.gz NTLVHDBDIRTDFJ-IBGZPJMESA-N 2 1 333.451 1.902 20 0 EDADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1OC ZINC000262042175 139246127 /nfs/dbraw/zinc/24/61/27/139246127.db2.gz PHJPOCNXBIWVDJ-MRXNPFEDSA-N 2 1 349.475 1.913 20 0 EDADMP Cn1c2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2sc1=O ZINC000262168347 139256843 /nfs/dbraw/zinc/25/68/43/139256843.db2.gz UPAWBGZJTANVNI-AWEZNQCLSA-N 2 1 332.473 1.080 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2cccc(C[NH2+]C)c2)CC[N@H+]1C[C@H](C)O ZINC000415941078 251036382 /nfs/dbraw/zinc/03/63/82/251036382.db2.gz GFOBZRZDFYXNNZ-YOEHRIQHSA-N 2 1 334.464 1.715 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262220348 139261079 /nfs/dbraw/zinc/26/10/79/139261079.db2.gz JLOIPVHOTHECEK-ZACQAIPSSA-N 2 1 333.480 1.104 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)C3(C[NH3+])CCOCC3)CC2)c1 ZINC000262245298 139263116 /nfs/dbraw/zinc/26/31/16/139263116.db2.gz LECRMNCUDFCNNC-UHFFFAOYSA-N 2 1 331.460 1.395 20 0 EDADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262284282 139266461 /nfs/dbraw/zinc/26/64/61/139266461.db2.gz ZMZSUHGATQSCBE-OAHLLOKOSA-N 2 1 342.447 1.082 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+](C)C ZINC000416832039 251112997 /nfs/dbraw/zinc/11/29/97/251112997.db2.gz IDXYSYIXHVLASX-YJBOKZPZSA-N 2 1 334.464 1.678 20 0 EDADMP CO[C@@H]1CCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417015916 251133376 /nfs/dbraw/zinc/13/33/76/251133376.db2.gz NGXYRZNYTYJOAC-CAOSSQGBSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417015101 251133427 /nfs/dbraw/zinc/13/34/27/251133427.db2.gz DZNKUVKVPLUFNB-MAUKXSAKSA-N 2 1 330.476 1.875 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417019375 251134685 /nfs/dbraw/zinc/13/46/85/251134685.db2.gz IRDFDKTWNZJTSK-MOPGFXCFSA-N 2 1 342.487 1.971 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417019364 251134912 /nfs/dbraw/zinc/13/49/12/251134912.db2.gz IOSUILURODPEKN-MRXNPFEDSA-N 2 1 330.476 1.686 20 0 EDADMP C[C@@H]([NH3+])CCNC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417097629 251142841 /nfs/dbraw/zinc/14/28/41/251142841.db2.gz ASUTWQKLJQKCER-OAGGEKHMSA-N 2 1 348.491 1.832 20 0 EDADMP C[C@@H]([NH3+])CCNC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417097629 251142845 /nfs/dbraw/zinc/14/28/45/251142845.db2.gz ASUTWQKLJQKCER-OAGGEKHMSA-N 2 1 348.491 1.832 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000417557544 251187575 /nfs/dbraw/zinc/18/75/75/251187575.db2.gz RYSGJKJOYVMAEP-IKGGRYGDSA-N 2 1 340.512 1.789 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@](C)(C[NH3+])C2)[C@@H](C)C1 ZINC000417669651 251221581 /nfs/dbraw/zinc/22/15/81/251221581.db2.gz MNWDEDAHVGSRTR-BQFCYCMXSA-N 2 1 340.512 1.504 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)C[NH+]1CCOCC1 ZINC000417716854 251239006 /nfs/dbraw/zinc/23/90/06/251239006.db2.gz KDPXZDZKVGLVSN-WMZOPIPTSA-N 2 1 348.491 1.734 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N3CCCC[C@@H]3C[NH3+])CC2)[nH+]c1 ZINC000417725896 251245465 /nfs/dbraw/zinc/24/54/65/251245465.db2.gz GWLNJXZYESFNOG-MRXNPFEDSA-N 2 1 331.464 1.882 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417753076 251256868 /nfs/dbraw/zinc/25/68/68/251256868.db2.gz NXFZEMCVYNMXKI-IRXDYDNUSA-N 2 1 341.544 1.275 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000417835055 251290670 /nfs/dbraw/zinc/29/06/70/251290670.db2.gz NNHANQGBKOYGFB-GDBMZVCRSA-N 2 1 346.479 1.489 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418346903 251362392 /nfs/dbraw/zinc/36/23/92/251362392.db2.gz MVRZDVONZIALIC-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H](NC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1)[C@H](C)[NH3+] ZINC000418707374 251389694 /nfs/dbraw/zinc/38/96/94/251389694.db2.gz TUKFPHHINWNQRY-JKSUJKDBSA-N 2 1 349.479 1.051 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418687722 251386802 /nfs/dbraw/zinc/38/68/02/251386802.db2.gz RZSRQUJJWRBLBS-ZWKOTPCHSA-N 2 1 341.459 1.979 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000262705430 139297713 /nfs/dbraw/zinc/29/77/13/139297713.db2.gz DBZMFNJBTMJWHS-XHSDSOJGSA-N 2 1 349.479 1.037 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)CC[C@@H](C)[NH3+])cc2)CC1 ZINC000262819698 139305934 /nfs/dbraw/zinc/30/59/34/139305934.db2.gz PLAASCYJWQDUPM-MRXNPFEDSA-N 2 1 332.492 1.568 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000423791193 252076373 /nfs/dbraw/zinc/07/63/73/252076373.db2.gz HCYJEZCMFVDBGX-OTWHNJEPSA-N 2 1 344.503 1.996 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000424439981 252231879 /nfs/dbraw/zinc/23/18/79/252231879.db2.gz PNVBSQHDIYBUIE-LSDHHAIUSA-N 2 1 346.475 1.771 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000425003455 252292525 /nfs/dbraw/zinc/29/25/25/252292525.db2.gz HZNMQEYQIIFIAP-RCCFBDPRSA-N 2 1 329.444 1.050 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000425003455 252292530 /nfs/dbraw/zinc/29/25/30/252292530.db2.gz HZNMQEYQIIFIAP-RCCFBDPRSA-N 2 1 329.444 1.050 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000425003455 252292532 /nfs/dbraw/zinc/29/25/32/252292532.db2.gz HZNMQEYQIIFIAP-RCCFBDPRSA-N 2 1 329.444 1.050 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000425003455 252292536 /nfs/dbraw/zinc/29/25/36/252292536.db2.gz HZNMQEYQIIFIAP-RCCFBDPRSA-N 2 1 329.444 1.050 20 0 EDADMP C[C@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[N@@H+](C)C1CC1 ZINC000112285784 220286115 /nfs/dbraw/zinc/28/61/15/220286115.db2.gz GDQXYJLPARZHRN-CQSZACIVSA-N 2 1 331.464 1.046 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000331186044 285229458 /nfs/dbraw/zinc/22/94/58/285229458.db2.gz JGVLPJPBMMXPGY-INIZCTEOSA-N 2 1 339.505 1.758 20 0 EDADMP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C2CC[NH+](CCOC)CC2)C1 ZINC000495561837 255301455 /nfs/dbraw/zinc/30/14/55/255301455.db2.gz AQADALZDYUHZNP-CVEARBPZSA-N 2 1 341.496 1.944 20 0 EDADMP C[NH+]1CCC([NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000496301510 255377767 /nfs/dbraw/zinc/37/77/67/255377767.db2.gz FULSKRAWSDKLLP-SFHVURJKSA-N 2 1 341.496 1.822 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnc(C)n1 ZINC000362049474 285279348 /nfs/dbraw/zinc/27/93/48/285279348.db2.gz WDADPNREBYUBAA-HNNXBMFYSA-N 2 1 334.468 1.665 20 0 EDADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000343862316 285321622 /nfs/dbraw/zinc/32/16/22/285321622.db2.gz OHVMDSCXDMCZHB-BRWVUGGUSA-N 2 1 339.528 1.042 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000343862316 285321623 /nfs/dbraw/zinc/32/16/23/285321623.db2.gz OHVMDSCXDMCZHB-BRWVUGGUSA-N 2 1 339.528 1.042 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000343862316 285321625 /nfs/dbraw/zinc/32/16/25/285321625.db2.gz OHVMDSCXDMCZHB-BRWVUGGUSA-N 2 1 339.528 1.042 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000415934966 304286463 /nfs/dbraw/zinc/28/64/63/304286463.db2.gz SYFMIBVOMCLRIK-MRXNPFEDSA-N 2 1 334.464 1.764 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC000416213213 304296387 /nfs/dbraw/zinc/29/63/87/304296387.db2.gz FYMZQKIHQJRMSC-AEFFLSMTSA-N 2 1 347.503 1.983 20 0 EDADMP C[C@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000270288329 140073875 /nfs/dbraw/zinc/07/38/75/140073875.db2.gz YHAUSNGEOSSHDF-QLFBSQMISA-N 2 1 334.464 1.610 20 0 EDADMP C[NH2+]C(C)(C)CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000270467684 140105822 /nfs/dbraw/zinc/10/58/22/140105822.db2.gz FNRPRGLEPMIAFN-HNNXBMFYSA-N 2 1 347.463 1.256 20 0 EDADMP C[NH2+]C(C)(C)CNC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000270467684 140105824 /nfs/dbraw/zinc/10/58/24/140105824.db2.gz FNRPRGLEPMIAFN-HNNXBMFYSA-N 2 1 347.463 1.256 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)N3CC[NH2+][C@@H](C)C3)CC2)oc1C ZINC000333381197 141309086 /nfs/dbraw/zinc/30/90/86/141309086.db2.gz NPFRNFDRRZOVRN-ZDUSSCGKSA-N 2 1 349.479 1.507 20 0 EDADMP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000333471212 141322663 /nfs/dbraw/zinc/32/26/63/141322663.db2.gz ASXPRBMMAVBGKX-GDBMZVCRSA-N 2 1 329.510 1.312 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000333487186 141325374 /nfs/dbraw/zinc/32/53/74/141325374.db2.gz CAWAKJGGRGLXEM-ADHGMGHFSA-N 2 1 328.460 1.811 20 0 EDADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000333635597 141348367 /nfs/dbraw/zinc/34/83/67/141348367.db2.gz HGRJCGRMCKGTQK-IJEWVQPXSA-N 2 1 334.468 1.163 20 0 EDADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000333635597 141348368 /nfs/dbraw/zinc/34/83/68/141348368.db2.gz HGRJCGRMCKGTQK-IJEWVQPXSA-N 2 1 334.468 1.163 20 0 EDADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000333647995 141350237 /nfs/dbraw/zinc/35/02/37/141350237.db2.gz JILSMNFAMZSJTD-GJZGRUSLSA-N 2 1 329.452 1.025 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000333721841 141366020 /nfs/dbraw/zinc/36/60/20/141366020.db2.gz UUAHHLIGBNSTKP-HUUCEWRRSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000333721841 141366022 /nfs/dbraw/zinc/36/60/22/141366022.db2.gz UUAHHLIGBNSTKP-HUUCEWRRSA-N 2 1 326.485 1.127 20 0 EDADMP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333785193 141381374 /nfs/dbraw/zinc/38/13/74/141381374.db2.gz LOKUUJFFTCXDNQ-MSOLQXFVSA-N 2 1 343.475 1.754 20 0 EDADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333785193 141381375 /nfs/dbraw/zinc/38/13/75/141381375.db2.gz LOKUUJFFTCXDNQ-MSOLQXFVSA-N 2 1 343.475 1.754 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC)C1)N1CCO[C@H](CC)C1 ZINC000339281488 142003081 /nfs/dbraw/zinc/00/30/81/142003081.db2.gz KIZNHXBLBILOPD-ZACQAIPSSA-N 2 1 325.497 1.676 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H](C[NH+](C)CC)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339281488 142003083 /nfs/dbraw/zinc/00/30/83/142003083.db2.gz KIZNHXBLBILOPD-ZACQAIPSSA-N 2 1 325.497 1.676 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H](C[NH+](C)CC)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000339281488 142003085 /nfs/dbraw/zinc/00/30/85/142003085.db2.gz KIZNHXBLBILOPD-ZACQAIPSSA-N 2 1 325.497 1.676 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000339281488 142003086 /nfs/dbraw/zinc/00/30/86/142003086.db2.gz KIZNHXBLBILOPD-ZACQAIPSSA-N 2 1 325.497 1.676 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000339281488 142003089 /nfs/dbraw/zinc/00/30/89/142003089.db2.gz KIZNHXBLBILOPD-ZACQAIPSSA-N 2 1 325.497 1.676 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(CCCN3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC000339395954 142036224 /nfs/dbraw/zinc/03/62/24/142036224.db2.gz VCDNPOAWJBULHT-RBUKOAKNSA-N 2 1 338.540 1.198 20 0 EDADMP CC[N@@H+]1CC[C@H]2OCCN(CCC[NH+]3CCN(C(C)C)CC3)[C@H]2C1 ZINC000339395954 142036225 /nfs/dbraw/zinc/03/62/25/142036225.db2.gz VCDNPOAWJBULHT-RBUKOAKNSA-N 2 1 338.540 1.198 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(CCC[NH+]3CCN(C(C)C)CC3)[C@H]2C1 ZINC000339395954 142036227 /nfs/dbraw/zinc/03/62/27/142036227.db2.gz VCDNPOAWJBULHT-RBUKOAKNSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]([NH3+])CC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000340184681 142295716 /nfs/dbraw/zinc/29/57/16/142295716.db2.gz IDOKUCPMBLCNGY-CQSZACIVSA-N 2 1 338.883 1.706 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCC[N@H+]1C ZINC000345434659 143090773 /nfs/dbraw/zinc/09/07/73/143090773.db2.gz WXAXYXJVRRZUCN-KBAYOESNSA-N 2 1 332.492 1.941 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000345751576 143129020 /nfs/dbraw/zinc/12/90/20/143129020.db2.gz CRPLIASAKXJWGI-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000346378183 143198582 /nfs/dbraw/zinc/19/85/82/143198582.db2.gz RTEQKXAFAYJBFJ-IRXDYDNUSA-N 2 1 345.491 1.193 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+](CC3CC3)CC2)[N@@H+](C)C1 ZINC000346632412 143224212 /nfs/dbraw/zinc/22/42/12/143224212.db2.gz KPDXYUGGOXVJQL-DLBZAZTESA-N 2 1 338.496 1.221 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000346814130 143248250 /nfs/dbraw/zinc/24/82/50/143248250.db2.gz BQLSELQXPJLYSQ-BHYGNILZSA-N 2 1 334.464 1.622 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000346814132 143248253 /nfs/dbraw/zinc/24/82/53/143248253.db2.gz BQLSELQXPJLYSQ-USXIJHARSA-N 2 1 334.464 1.622 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346841565 143250701 /nfs/dbraw/zinc/25/07/01/143250701.db2.gz GWTMMECVJPVARE-BHYGNILZSA-N 2 1 334.464 1.621 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000347028003 143273540 /nfs/dbraw/zinc/27/35/40/143273540.db2.gz VRLIIIBCRZDISC-TZMCWYRMSA-N 2 1 338.477 1.282 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000347226880 143297408 /nfs/dbraw/zinc/29/74/08/143297408.db2.gz HKCBKSSBRAJMRC-HNNXBMFYSA-N 2 1 335.496 1.479 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[NH+](C)C1 ZINC000347479901 143326915 /nfs/dbraw/zinc/32/69/15/143326915.db2.gz NILJTFFEXMNHAN-SLUKUZTOSA-N 2 1 338.496 1.362 20 0 EDADMP CC[C@@H](C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1)[NH+](C)C ZINC000347485894 143327533 /nfs/dbraw/zinc/32/75/33/143327533.db2.gz PPNHMYUFIJTWFQ-KRWDZBQOSA-N 2 1 327.513 1.924 20 0 EDADMP COCCN1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)CC1 ZINC000369819504 155189643 /nfs/dbraw/zinc/18/96/43/155189643.db2.gz OJMKEQZRVAINPV-AWEZNQCLSA-N 2 1 334.464 1.429 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000416843926 304350964 /nfs/dbraw/zinc/35/09/64/304350964.db2.gz PSEWQUVBBNAORL-NVXWUHKLSA-N 2 1 348.491 1.987 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000416842138 304350584 /nfs/dbraw/zinc/35/05/84/304350584.db2.gz MSETWADNOOUMSQ-FUHWJXTLSA-N 2 1 334.439 1.604 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000416842138 304350587 /nfs/dbraw/zinc/35/05/87/304350587.db2.gz MSETWADNOOUMSQ-FUHWJXTLSA-N 2 1 334.439 1.604 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000416844253 304351267 /nfs/dbraw/zinc/35/12/67/304351267.db2.gz PYUKEKCJYLVPLV-GOEBONIOSA-N 2 1 334.464 1.597 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)C1 ZINC000416867012 304353181 /nfs/dbraw/zinc/35/31/81/304353181.db2.gz KVVVDMFLXPORKI-HZPDHXFCSA-N 2 1 328.501 1.358 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000352751247 149149226 /nfs/dbraw/zinc/14/92/26/149149226.db2.gz HKDBCZUYKKSZCT-JCGIZDLHSA-N 2 1 338.879 1.803 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000352751247 149149228 /nfs/dbraw/zinc/14/92/28/149149228.db2.gz HKDBCZUYKKSZCT-JCGIZDLHSA-N 2 1 338.879 1.803 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000352751247 149149231 /nfs/dbraw/zinc/14/92/31/149149231.db2.gz HKDBCZUYKKSZCT-JCGIZDLHSA-N 2 1 338.879 1.803 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+]1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000352751247 149149233 /nfs/dbraw/zinc/14/92/33/149149233.db2.gz HKDBCZUYKKSZCT-JCGIZDLHSA-N 2 1 338.879 1.803 20 0 EDADMP C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)N1CCOCC1 ZINC000352817858 149178001 /nfs/dbraw/zinc/17/80/01/149178001.db2.gz JJIPLVDCRUVPQT-UIJGJVKASA-N 2 1 338.496 1.362 20 0 EDADMP CC[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000352851114 149189828 /nfs/dbraw/zinc/18/98/28/149189828.db2.gz AFVNDWVCTUYDKL-RTBURBONSA-N 2 1 347.503 1.860 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000353027662 149259315 /nfs/dbraw/zinc/25/93/15/149259315.db2.gz JIJSPEYJDDSIAS-OAHLLOKOSA-N 2 1 342.553 1.845 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000353163081 149308065 /nfs/dbraw/zinc/30/80/65/149308065.db2.gz QZGXDINMSTUFFJ-AWEZNQCLSA-N 2 1 326.485 1.004 20 0 EDADMP CCC[C@H]1CN(c2ccnc(N3CCOCC3)n2)CC[N@H+]1CCOC ZINC000353265831 149346316 /nfs/dbraw/zinc/34/63/16/149346316.db2.gz MXJBYRGSXDCDGV-INIZCTEOSA-N 2 1 349.479 1.250 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](CC[NH+]3Cc3ccccc3)C2)C1 ZINC000369950287 155248941 /nfs/dbraw/zinc/24/89/41/155248941.db2.gz GLSNVXLRXDYYTD-FHWLQOOXSA-N 2 1 343.471 1.440 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](CC[NH+]3Cc3ccccc3)C2)C1 ZINC000369950287 155248945 /nfs/dbraw/zinc/24/89/45/155248945.db2.gz GLSNVXLRXDYYTD-FHWLQOOXSA-N 2 1 343.471 1.440 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000369950287 155248948 /nfs/dbraw/zinc/24/89/48/155248948.db2.gz GLSNVXLRXDYYTD-FHWLQOOXSA-N 2 1 343.471 1.440 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)C1 ZINC000369950287 155248949 /nfs/dbraw/zinc/24/89/49/155248949.db2.gz GLSNVXLRXDYYTD-FHWLQOOXSA-N 2 1 343.471 1.440 20 0 EDADMP CCOC[C@H](C)[NH2+]C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354932209 150039757 /nfs/dbraw/zinc/03/97/57/150039757.db2.gz QOTKWBULHQILLG-MJBXVCDLSA-N 2 1 325.432 1.474 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354948200 150049792 /nfs/dbraw/zinc/04/97/92/150049792.db2.gz QJUILELJDZKPPA-FUHWJXTLSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000355089722 150111720 /nfs/dbraw/zinc/11/17/20/150111720.db2.gz SBTITXUMEGKJKK-JFIYKMOQSA-N 2 1 332.492 1.430 20 0 EDADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCCc2[nH+]ccn21 ZINC000355221704 150170972 /nfs/dbraw/zinc/17/09/72/150170972.db2.gz FFILWNGAKNYKSZ-ZACQAIPSSA-N 2 1 346.475 1.645 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H](c3ccccc3)N(C)C)[C@@H]2C1 ZINC000355378103 150241237 /nfs/dbraw/zinc/24/12/37/150241237.db2.gz ZVFZMKWMEBYIQW-FGTMMUONSA-N 2 1 331.460 1.611 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC000355378103 150241243 /nfs/dbraw/zinc/24/12/43/150241243.db2.gz ZVFZMKWMEBYIQW-FGTMMUONSA-N 2 1 331.460 1.611 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000355452933 150274412 /nfs/dbraw/zinc/27/44/12/150274412.db2.gz TUZQUHRDPKZNNJ-AEFFLSMTSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000417030225 304362460 /nfs/dbraw/zinc/36/24/60/304362460.db2.gz AMASPQRASKJUGX-AEFFLSMTSA-N 2 1 345.491 1.330 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000355658472 150352793 /nfs/dbraw/zinc/35/27/93/150352793.db2.gz KVBVMAPLBMNVCK-CABCVRRESA-N 2 1 348.491 1.865 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000355658472 150352796 /nfs/dbraw/zinc/35/27/96/150352796.db2.gz KVBVMAPLBMNVCK-CABCVRRESA-N 2 1 348.491 1.865 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000417048381 304366505 /nfs/dbraw/zinc/36/65/05/304366505.db2.gz WWGIIWGGNIJIAJ-PMPSAXMXSA-N 2 1 333.480 1.232 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC23CCCC3)C1 ZINC000370031885 155290535 /nfs/dbraw/zinc/29/05/35/155290535.db2.gz IKYDAYMYWJAEDY-KRWDZBQOSA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC23CCCC3)C1 ZINC000370031885 155290539 /nfs/dbraw/zinc/29/05/39/155290539.db2.gz IKYDAYMYWJAEDY-KRWDZBQOSA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC23CCCC3)C1 ZINC000370031885 155290542 /nfs/dbraw/zinc/29/05/42/155290542.db2.gz IKYDAYMYWJAEDY-KRWDZBQOSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H](CCO)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370038955 155294570 /nfs/dbraw/zinc/29/45/70/155294570.db2.gz YYIBMWKFFPCRIS-HNNXBMFYSA-N 2 1 340.512 1.253 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000417068384 304368768 /nfs/dbraw/zinc/36/87/68/304368768.db2.gz JMUKJYILIOUJAL-WMLDXEAASA-N 2 1 334.508 1.890 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](CCO)C1 ZINC000357825776 151162781 /nfs/dbraw/zinc/16/27/81/151162781.db2.gz FJAUAXDNBXXUMA-BHIYHBOVSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](CCO)C1 ZINC000357825776 151162783 /nfs/dbraw/zinc/16/27/83/151162783.db2.gz FJAUAXDNBXXUMA-BHIYHBOVSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](CCO)C1 ZINC000357825776 151162785 /nfs/dbraw/zinc/16/27/85/151162785.db2.gz FJAUAXDNBXXUMA-BHIYHBOVSA-N 2 1 345.487 1.470 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000357960638 151212056 /nfs/dbraw/zinc/21/20/56/151212056.db2.gz QOASTKJTFYAPNC-HZPDHXFCSA-N 2 1 327.517 1.042 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000357960638 151212060 /nfs/dbraw/zinc/21/20/60/151212060.db2.gz QOASTKJTFYAPNC-HZPDHXFCSA-N 2 1 327.517 1.042 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000357960638 151212062 /nfs/dbraw/zinc/21/20/62/151212062.db2.gz QOASTKJTFYAPNC-HZPDHXFCSA-N 2 1 327.517 1.042 20 0 EDADMP COC(=O)c1cn([C@H]2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)nn1 ZINC000358027142 151238977 /nfs/dbraw/zinc/23/89/77/151238977.db2.gz VDBJURFSTXWGEB-CABCVRRESA-N 2 1 335.452 1.576 20 0 EDADMP COC(=O)c1cn([C@H]2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)nn1 ZINC000358027142 151238978 /nfs/dbraw/zinc/23/89/78/151238978.db2.gz VDBJURFSTXWGEB-CABCVRRESA-N 2 1 335.452 1.576 20 0 EDADMP COC(=O)c1cn([C@H]2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000358027142 151238980 /nfs/dbraw/zinc/23/89/80/151238980.db2.gz VDBJURFSTXWGEB-CABCVRRESA-N 2 1 335.452 1.576 20 0 EDADMP COC(=O)c1cn([C@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC000358027142 151238982 /nfs/dbraw/zinc/23/89/82/151238982.db2.gz VDBJURFSTXWGEB-CABCVRRESA-N 2 1 335.452 1.576 20 0 EDADMP COC(=O)c1cn([C@@H]2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)nn1 ZINC000358027158 151238988 /nfs/dbraw/zinc/23/89/88/151238988.db2.gz VDBJURFSTXWGEB-LSDHHAIUSA-N 2 1 335.452 1.576 20 0 EDADMP COC(=O)c1cn([C@@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)nn1 ZINC000358027158 151238993 /nfs/dbraw/zinc/23/89/93/151238993.db2.gz VDBJURFSTXWGEB-LSDHHAIUSA-N 2 1 335.452 1.576 20 0 EDADMP COC(=O)c1cn([C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000358027158 151238994 /nfs/dbraw/zinc/23/89/94/151238994.db2.gz VDBJURFSTXWGEB-LSDHHAIUSA-N 2 1 335.452 1.576 20 0 EDADMP COC(=O)c1cn([C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC000358027158 151238996 /nfs/dbraw/zinc/23/89/96/151238996.db2.gz VDBJURFSTXWGEB-LSDHHAIUSA-N 2 1 335.452 1.576 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@]2(O)CC[NH+](C)C2)cc1 ZINC000358059238 151251875 /nfs/dbraw/zinc/25/18/75/151251875.db2.gz DCBURSBYXCXGCM-IBGZPJMESA-N 2 1 333.476 1.715 20 0 EDADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358059238 151251876 /nfs/dbraw/zinc/25/18/76/151251876.db2.gz DCBURSBYXCXGCM-IBGZPJMESA-N 2 1 333.476 1.715 20 0 EDADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358059238 151251879 /nfs/dbraw/zinc/25/18/79/151251879.db2.gz DCBURSBYXCXGCM-IBGZPJMESA-N 2 1 333.476 1.715 20 0 EDADMP C[N@H+](CCC(=O)NCC(=O)c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000358069916 151257617 /nfs/dbraw/zinc/25/76/17/151257617.db2.gz TYAOQGVCUOGXGO-INIZCTEOSA-N 2 1 331.460 1.649 20 0 EDADMP C[N@@H+](CCC(=O)NCC(=O)c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000358069916 151257620 /nfs/dbraw/zinc/25/76/20/151257620.db2.gz TYAOQGVCUOGXGO-INIZCTEOSA-N 2 1 331.460 1.649 20 0 EDADMP C[NH+](CCC(=O)NCC(=O)c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000358069916 151257622 /nfs/dbraw/zinc/25/76/22/151257622.db2.gz TYAOQGVCUOGXGO-INIZCTEOSA-N 2 1 331.460 1.649 20 0 EDADMP C[NH+](CCC(=O)NCC(=O)c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000358069916 151257623 /nfs/dbraw/zinc/25/76/23/151257623.db2.gz TYAOQGVCUOGXGO-INIZCTEOSA-N 2 1 331.460 1.649 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000358260691 151319845 /nfs/dbraw/zinc/31/98/45/151319845.db2.gz VPYUMNZJXFBLNY-LJQANCHMSA-N 2 1 335.467 1.489 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000358433793 151374545 /nfs/dbraw/zinc/37/45/45/151374545.db2.gz IINSHJBDISEBTB-JKSUJKDBSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000358433793 151374548 /nfs/dbraw/zinc/37/45/48/151374548.db2.gz IINSHJBDISEBTB-JKSUJKDBSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000358433793 151374551 /nfs/dbraw/zinc/37/45/51/151374551.db2.gz IINSHJBDISEBTB-JKSUJKDBSA-N 2 1 342.528 1.593 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000370063857 155308876 /nfs/dbraw/zinc/30/88/76/155308876.db2.gz FHQSGMPISQDWQS-NVXWUHKLSA-N 2 1 336.480 1.119 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000417111250 304373294 /nfs/dbraw/zinc/37/32/94/304373294.db2.gz LPOUEFWTVMNWJO-UMVBOHGHSA-N 2 1 336.505 1.921 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000417111250 304373296 /nfs/dbraw/zinc/37/32/96/304373296.db2.gz LPOUEFWTVMNWJO-UMVBOHGHSA-N 2 1 336.505 1.921 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(CCCCN3CC[C@@H]4CC[N@H+](C)[C@@H]4C3)C[C@H]21 ZINC000370084318 155316842 /nfs/dbraw/zinc/31/68/42/155316842.db2.gz VBLZUAXJCQRHRW-IYWMVGAKSA-N 2 1 334.552 1.819 20 0 EDADMP C[NH+]1CC[C@H]2CCN(CCCCN3CC[C@H]4CC[N@H+](C)[C@@H]4C3)C[C@H]21 ZINC000370084318 155316846 /nfs/dbraw/zinc/31/68/46/155316846.db2.gz VBLZUAXJCQRHRW-IYWMVGAKSA-N 2 1 334.552 1.819 20 0 EDADMP C[NH+]1CC[C@H]2CCN(CCCCN3CC[C@H]4CC[N@@H+](C)[C@@H]4C3)C[C@H]21 ZINC000370084318 155316850 /nfs/dbraw/zinc/31/68/50/155316850.db2.gz VBLZUAXJCQRHRW-IYWMVGAKSA-N 2 1 334.552 1.819 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417144521 304377429 /nfs/dbraw/zinc/37/74/29/304377429.db2.gz IFVWEGDIOSQODW-VXGBXAGGSA-N 2 1 340.418 1.964 20 0 EDADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000574138520 306642813 /nfs/dbraw/zinc/64/28/13/306642813.db2.gz SHPBNMQBUJKXFX-UHFFFAOYSA-N 2 1 333.885 1.809 20 0 EDADMP Cc1cc(N2CC[C@H]([N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)C2=O)n(C)n1 ZINC000363577796 153004898 /nfs/dbraw/zinc/00/48/98/153004898.db2.gz SZNIHQCCCCCFBG-HZMVEIRTSA-N 2 1 343.475 1.250 20 0 EDADMP Cc1cc(N2CC[C@H]([N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)C2=O)n(C)n1 ZINC000363577796 153004900 /nfs/dbraw/zinc/00/49/00/153004900.db2.gz SZNIHQCCCCCFBG-HZMVEIRTSA-N 2 1 343.475 1.250 20 0 EDADMP Cc1cc(N2CC[C@H]([NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)C2=O)n(C)n1 ZINC000363577796 153004904 /nfs/dbraw/zinc/00/49/04/153004904.db2.gz SZNIHQCCCCCFBG-HZMVEIRTSA-N 2 1 343.475 1.250 20 0 EDADMP Cc1cc(N2CC[C@H]([NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)C2=O)n(C)n1 ZINC000363577796 153004906 /nfs/dbraw/zinc/00/49/06/153004906.db2.gz SZNIHQCCCCCFBG-HZMVEIRTSA-N 2 1 343.475 1.250 20 0 EDADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363588287 153007063 /nfs/dbraw/zinc/00/70/63/153007063.db2.gz FWTXBCADKIBULR-PKOBYXMFSA-N 2 1 335.467 1.879 20 0 EDADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363588287 153007066 /nfs/dbraw/zinc/00/70/66/153007066.db2.gz FWTXBCADKIBULR-PKOBYXMFSA-N 2 1 335.467 1.879 20 0 EDADMP C[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC000363708463 153035729 /nfs/dbraw/zinc/03/57/29/153035729.db2.gz SUEYGCZZJQITGS-FXUDXRNXSA-N 2 1 347.463 1.283 20 0 EDADMP CCOCCCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363822475 153066758 /nfs/dbraw/zinc/06/67/58/153066758.db2.gz OEEYRXHVPQAOOB-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](CC)C2)C[C@H]1[NH+]1CCOCC1 ZINC000363949610 153105289 /nfs/dbraw/zinc/10/52/89/153105289.db2.gz APCCDWNODPGFQV-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](CC)C2)C[C@H]1[NH+]1CCOCC1 ZINC000363949610 153105291 /nfs/dbraw/zinc/10/52/91/153105291.db2.gz APCCDWNODPGFQV-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)C1 ZINC000363959716 153107663 /nfs/dbraw/zinc/10/76/63/153107663.db2.gz FNKRBKBBSLCNRD-HNAYVOBHSA-N 2 1 331.460 1.779 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000364061493 153136056 /nfs/dbraw/zinc/13/60/56/153136056.db2.gz PIBZSKQLPAZVOY-MRXNPFEDSA-N 2 1 331.460 1.937 20 0 EDADMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnn(C)c2)CC3)cn1 ZINC000364080178 153139545 /nfs/dbraw/zinc/13/95/45/153139545.db2.gz DUOQIRWVXTXYBK-UHFFFAOYSA-N 2 1 328.464 1.642 20 0 EDADMP CC[N@H+]1CCCN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC000364332536 153206943 /nfs/dbraw/zinc/20/69/43/153206943.db2.gz PQAQVWAUXQNXKC-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+]1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000364332536 153206945 /nfs/dbraw/zinc/20/69/45/153206945.db2.gz PQAQVWAUXQNXKC-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+]1CCCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000364332536 153206947 /nfs/dbraw/zinc/20/69/47/153206947.db2.gz PQAQVWAUXQNXKC-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364668770 153299417 /nfs/dbraw/zinc/29/94/17/153299417.db2.gz BAJNUCUNSYHMBL-ZDUSSCGKSA-N 2 1 333.436 1.098 20 0 EDADMP C[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364668770 153299420 /nfs/dbraw/zinc/29/94/20/153299420.db2.gz BAJNUCUNSYHMBL-ZDUSSCGKSA-N 2 1 333.436 1.098 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000417240117 304386980 /nfs/dbraw/zinc/38/69/80/304386980.db2.gz PDRRUBKSVRAVAR-OWCLPIDISA-N 2 1 340.512 1.645 20 0 EDADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000417237164 304387079 /nfs/dbraw/zinc/38/70/79/304387079.db2.gz IIOKENQMXCDBKL-WMLDXEAASA-N 2 1 328.476 1.840 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000417237164 304387081 /nfs/dbraw/zinc/38/70/81/304387081.db2.gz IIOKENQMXCDBKL-WMLDXEAASA-N 2 1 328.476 1.840 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[NH2+]CC2)cc1F ZINC000417281925 304389170 /nfs/dbraw/zinc/38/91/70/304389170.db2.gz TXSIPZURCZSTTA-UHFFFAOYSA-N 2 1 331.395 1.825 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2C[NH+]3CCN2CCC3)c1 ZINC000367202597 154040833 /nfs/dbraw/zinc/04/08/33/154040833.db2.gz WIDWKGZQOFMCPN-GOSISDBHSA-N 2 1 330.476 1.144 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000367202597 154040836 /nfs/dbraw/zinc/04/08/36/154040836.db2.gz WIDWKGZQOFMCPN-GOSISDBHSA-N 2 1 330.476 1.144 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000367202597 154040838 /nfs/dbraw/zinc/04/08/38/154040838.db2.gz WIDWKGZQOFMCPN-GOSISDBHSA-N 2 1 330.476 1.144 20 0 EDADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCCOC(=O)NC(N)=O)CC2)C1CC1 ZINC000367397105 154105312 /nfs/dbraw/zinc/10/53/12/154105312.db2.gz QTVLJTQIWUAHBJ-CYBMUJFWSA-N 2 1 338.452 1.378 20 0 EDADMP COCCCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367904144 154318653 /nfs/dbraw/zinc/31/86/53/154318653.db2.gz NJKHICSNRXDKKD-INIZCTEOSA-N 2 1 348.491 1.771 20 0 EDADMP CO[C@@H](C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000368458407 154568277 /nfs/dbraw/zinc/56/82/77/154568277.db2.gz OJVXDGADLITYRL-GOSISDBHSA-N 2 1 337.508 1.724 20 0 EDADMP [NH3+]C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000417358320 304394914 /nfs/dbraw/zinc/39/49/14/304394914.db2.gz FIYCHQFAVVYERQ-CJNGLKHVSA-N 2 1 336.505 1.997 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000369395572 155012274 /nfs/dbraw/zinc/01/22/74/155012274.db2.gz NUGYNNWAYHUBNM-OIISXLGYSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000369395572 155012278 /nfs/dbraw/zinc/01/22/78/155012278.db2.gz NUGYNNWAYHUBNM-OIISXLGYSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCC[N@@H+](C)C1CC1 ZINC000369395572 155012280 /nfs/dbraw/zinc/01/22/80/155012280.db2.gz NUGYNNWAYHUBNM-OIISXLGYSA-N 2 1 338.496 1.269 20 0 EDADMP CCCCCCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369408650 155017999 /nfs/dbraw/zinc/01/79/99/155017999.db2.gz PZLQGZDQGIPHSU-SFHVURJKSA-N 2 1 338.540 1.783 20 0 EDADMP CCCCCCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369408650 155018002 /nfs/dbraw/zinc/01/80/02/155018002.db2.gz PZLQGZDQGIPHSU-SFHVURJKSA-N 2 1 338.540 1.783 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000372440207 156391425 /nfs/dbraw/zinc/39/14/25/156391425.db2.gz XDGBIESSWGKQEU-APWZRJJASA-N 2 1 342.443 1.012 20 0 EDADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000373886617 157049792 /nfs/dbraw/zinc/04/97/92/157049792.db2.gz UKWMFIJVKGOUKO-FUHWJXTLSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@@H]1CN(Cc2ncc(Cl)n2C)CC[N@@H+]1C1CCN(C)CC1 ZINC000374253130 157213763 /nfs/dbraw/zinc/21/37/63/157213763.db2.gz FBZYJIBJECWCBS-CYBMUJFWSA-N 2 1 325.888 1.674 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC34CCOCC4)cn2)CC1 ZINC000374281546 157224055 /nfs/dbraw/zinc/22/40/55/157224055.db2.gz ABUJKCHWWYMIKG-UHFFFAOYSA-N 2 1 331.464 1.373 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC34CCOCC4)cn2)CC1 ZINC000374281546 157224059 /nfs/dbraw/zinc/22/40/59/157224059.db2.gz ABUJKCHWWYMIKG-UHFFFAOYSA-N 2 1 331.464 1.373 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000377955036 158039323 /nfs/dbraw/zinc/03/93/23/158039323.db2.gz XULULEVUNYQDBE-MRXNPFEDSA-N 3 1 335.496 1.493 20 0 EDADMP CC[C@H](NC(=O)/C=C/C[NH+](C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000378156794 158095258 /nfs/dbraw/zinc/09/52/58/158095258.db2.gz AIBUJTVIVROOJI-GWDHXLPESA-N 2 1 345.487 1.900 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000378206572 158108815 /nfs/dbraw/zinc/10/88/15/158108815.db2.gz PIZXRYAMOYFUAO-UBDQQSCGSA-N 2 1 331.460 1.692 20 0 EDADMP COC(=O)c1ccnc(N2CCC[N@@H+](CCCn3ccnc3)CC2)c1 ZINC000378445281 158175547 /nfs/dbraw/zinc/17/55/47/158175547.db2.gz RMIUKVOACWNMQN-UHFFFAOYSA-N 2 1 343.431 1.667 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000352208909 162051788 /nfs/dbraw/zinc/05/17/88/162051788.db2.gz VXURNLJAQBHRCL-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000352208719 162052403 /nfs/dbraw/zinc/05/24/03/162052403.db2.gz SFKDTKJNTABUIF-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)CC[NH+](CC)CC)C1 ZINC000352274850 162087667 /nfs/dbraw/zinc/08/76/67/162087667.db2.gz IQUOFFBTPFCKDM-OAHLLOKOSA-N 2 1 342.509 1.754 20 0 EDADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000352496651 162212331 /nfs/dbraw/zinc/21/23/31/162212331.db2.gz XYYFFZFSSYOKPH-IEBWSBKVSA-N 2 1 344.503 1.832 20 0 EDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000352496651 162212335 /nfs/dbraw/zinc/21/23/35/162212335.db2.gz XYYFFZFSSYOKPH-IEBWSBKVSA-N 2 1 344.503 1.832 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000366349654 162377535 /nfs/dbraw/zinc/37/75/35/162377535.db2.gz VVQZJFKTPKFVKT-CQSZACIVSA-N 2 1 329.448 1.984 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418301323 304477314 /nfs/dbraw/zinc/47/73/14/304477314.db2.gz OMMTUEKDAFHLHA-UHFFFAOYSA-N 2 1 330.476 1.964 20 0 EDADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CSC[NH2+]1 ZINC000168788108 226222429 /nfs/dbraw/zinc/22/24/29/226222429.db2.gz NWTHCBFQOBNJEB-HMQMGEFJSA-N 2 1 331.485 1.961 20 0 EDADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CSC[NH2+]1 ZINC000168788108 226222435 /nfs/dbraw/zinc/22/24/35/226222435.db2.gz NWTHCBFQOBNJEB-HMQMGEFJSA-N 2 1 331.485 1.961 20 0 EDADMP C[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000188796898 272959714 /nfs/dbraw/zinc/95/97/14/272959714.db2.gz NMPSXYUHHWWIPN-HLLBOEOZSA-N 2 1 334.439 1.013 20 0 EDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000274895790 268232866 /nfs/dbraw/zinc/23/28/66/268232866.db2.gz IPZKNWLQTXMMDG-CYBMUJFWSA-N 2 1 336.461 1.564 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]CCCCCOc2ccccc2)CC1 ZINC000275875959 268380302 /nfs/dbraw/zinc/38/03/02/268380302.db2.gz ZOKORJLURFFFHG-UHFFFAOYSA-N 2 1 333.476 1.989 20 0 EDADMP C[C@@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000276246985 273154750 /nfs/dbraw/zinc/15/47/50/273154750.db2.gz MVTCSDVECHHVSF-INIZCTEOSA-N 2 1 332.492 1.043 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000277267849 273185252 /nfs/dbraw/zinc/18/52/52/273185252.db2.gz MFEPWMKZNPWIPS-MOPGFXCFSA-N 2 1 345.487 1.830 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000277267849 273185254 /nfs/dbraw/zinc/18/52/54/273185254.db2.gz MFEPWMKZNPWIPS-MOPGFXCFSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cnccn1 ZINC000279667786 273315956 /nfs/dbraw/zinc/31/59/56/273315956.db2.gz HGAOTIOTHOPYRL-KRWDZBQOSA-N 2 1 333.480 1.284 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280686361 273385613 /nfs/dbraw/zinc/38/56/13/273385613.db2.gz ARPGNXMBRWYERQ-CRAIPNDOSA-N 2 1 325.416 1.582 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000363847227 274019281 /nfs/dbraw/zinc/01/92/81/274019281.db2.gz MONAVKWZBWOEKA-QGZVFWFLSA-N 2 1 348.491 1.691 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000363847227 274019283 /nfs/dbraw/zinc/01/92/83/274019283.db2.gz MONAVKWZBWOEKA-QGZVFWFLSA-N 2 1 348.491 1.691 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000284655504 274281399 /nfs/dbraw/zinc/28/13/99/274281399.db2.gz PBYXJYFBKFYGHL-KRWDZBQOSA-N 2 1 332.452 1.738 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000284655504 274281400 /nfs/dbraw/zinc/28/14/00/274281400.db2.gz PBYXJYFBKFYGHL-KRWDZBQOSA-N 2 1 332.452 1.738 20 0 EDADMP CC[NH+](CC)CC(=O)NC[C@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000347446347 276094550 /nfs/dbraw/zinc/09/45/50/276094550.db2.gz JYMROSUBZJCMJI-MJGOQNOKSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](CC)CC(=O)NC[C@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000347446347 276094551 /nfs/dbraw/zinc/09/45/51/276094551.db2.gz JYMROSUBZJCMJI-MJGOQNOKSA-N 2 1 333.476 1.906 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000416995221 276196915 /nfs/dbraw/zinc/19/69/15/276196915.db2.gz SQWUEQSYXBQXBG-HZPDHXFCSA-N 2 1 347.507 1.359 20 0 EDADMP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC000329511695 276234623 /nfs/dbraw/zinc/23/46/23/276234623.db2.gz CCACOQJMHJYTGE-HYVNUMGLSA-N 2 1 332.448 1.076 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC000329511695 276234624 /nfs/dbraw/zinc/23/46/24/276234624.db2.gz CCACOQJMHJYTGE-HYVNUMGLSA-N 2 1 332.448 1.076 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000340115340 276315450 /nfs/dbraw/zinc/31/54/50/276315450.db2.gz YULFYWIHTOMSKO-HZMVEIRTSA-N 2 1 325.497 1.615 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000659864299 452745039 /nfs/dbraw/zinc/74/50/39/452745039.db2.gz YQEVLJSGHJFPHX-ULQDDVLXSA-N 2 1 327.513 1.704 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000659864299 452745047 /nfs/dbraw/zinc/74/50/47/452745047.db2.gz YQEVLJSGHJFPHX-ULQDDVLXSA-N 2 1 327.513 1.704 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000659864299 452745054 /nfs/dbraw/zinc/74/50/54/452745054.db2.gz YQEVLJSGHJFPHX-ULQDDVLXSA-N 2 1 327.513 1.704 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000659864299 452745059 /nfs/dbraw/zinc/74/50/59/452745059.db2.gz YQEVLJSGHJFPHX-ULQDDVLXSA-N 2 1 327.513 1.704 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)N3CCC[N@@H+](C4CC4)CC3)ccn2)CC1 ZINC000171802097 277112401 /nfs/dbraw/zinc/11/24/01/277112401.db2.gz LMEUJSGLSIXAAH-UHFFFAOYSA-N 2 1 343.475 1.144 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)N3CCC[N@H+](C4CC4)CC3)ccn2)CC1 ZINC000171802097 277112402 /nfs/dbraw/zinc/11/24/02/277112402.db2.gz LMEUJSGLSIXAAH-UHFFFAOYSA-N 2 1 343.475 1.144 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccccc1 ZINC000340090979 277167767 /nfs/dbraw/zinc/16/77/67/277167767.db2.gz VLPZBZOKTBXPFI-SZMVWBNQSA-N 2 1 328.460 1.968 20 0 EDADMP C[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@@H]1c1ccccc1 ZINC000340090979 277167768 /nfs/dbraw/zinc/16/77/68/277167768.db2.gz VLPZBZOKTBXPFI-SZMVWBNQSA-N 2 1 328.460 1.968 20 0 EDADMP C[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@@H]1c1ccccc1 ZINC000340090979 277167769 /nfs/dbraw/zinc/16/77/69/277167769.db2.gz VLPZBZOKTBXPFI-SZMVWBNQSA-N 2 1 328.460 1.968 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000107844935 277212380 /nfs/dbraw/zinc/21/23/80/277212380.db2.gz FDSRCKDKSZFDCW-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000367048898 277237661 /nfs/dbraw/zinc/23/76/61/277237661.db2.gz AFGVVSYZHJDJSH-BZSNNMDCSA-N 2 1 325.497 1.188 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362564595 278002813 /nfs/dbraw/zinc/00/28/13/278002813.db2.gz MHZIBJMZTNORCQ-QLFBSQMISA-N 2 1 333.480 1.584 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000360042103 278832188 /nfs/dbraw/zinc/83/21/88/278832188.db2.gz LKCCKEYEJUISNT-CQSZACIVSA-N 2 1 340.512 1.260 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496207841 279040360 /nfs/dbraw/zinc/04/03/60/279040360.db2.gz RXGJFTPIKPOOKD-CRAIPNDOSA-N 2 1 343.512 1.878 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496207841 279040361 /nfs/dbraw/zinc/04/03/61/279040361.db2.gz RXGJFTPIKPOOKD-CRAIPNDOSA-N 2 1 343.512 1.878 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496207841 279040362 /nfs/dbraw/zinc/04/03/62/279040362.db2.gz RXGJFTPIKPOOKD-CRAIPNDOSA-N 2 1 343.512 1.878 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496207841 279040363 /nfs/dbraw/zinc/04/03/63/279040363.db2.gz RXGJFTPIKPOOKD-CRAIPNDOSA-N 2 1 343.512 1.878 20 0 EDADMP Cc1[nH+]c(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c2n1CCCC2 ZINC000378434350 279084991 /nfs/dbraw/zinc/08/49/91/279084991.db2.gz RIZADVGXRUFYOI-HIFRSBDPSA-N 2 1 331.464 1.906 20 0 EDADMP Cc1[nH+]c(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c2n1CCCC2 ZINC000378434350 279084993 /nfs/dbraw/zinc/08/49/93/279084993.db2.gz RIZADVGXRUFYOI-HIFRSBDPSA-N 2 1 331.464 1.906 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)C1 ZINC000360735681 279149549 /nfs/dbraw/zinc/14/95/49/279149549.db2.gz RSCPDSRVZWDSHB-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)C1 ZINC000360735681 279149551 /nfs/dbraw/zinc/14/95/51/279149551.db2.gz RSCPDSRVZWDSHB-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)C1 ZINC000090680434 279149790 /nfs/dbraw/zinc/14/97/90/279149790.db2.gz RSCPDSRVZWDSHB-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)C1 ZINC000090680434 279149792 /nfs/dbraw/zinc/14/97/92/279149792.db2.gz RSCPDSRVZWDSHB-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000174860505 279167066 /nfs/dbraw/zinc/16/70/66/279167066.db2.gz YEMKZPCGDXICLO-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCn2cncc2C1 ZINC000343340167 279302645 /nfs/dbraw/zinc/30/26/45/279302645.db2.gz MWCXZUBXMKEOHN-DLBZAZTESA-N 2 1 347.507 1.320 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000347890737 279349907 /nfs/dbraw/zinc/34/99/07/279349907.db2.gz AVMYCQXIVGQXGG-YJBOKZPZSA-N 2 1 335.496 1.602 20 0 EDADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000347890737 279349909 /nfs/dbraw/zinc/34/99/09/279349909.db2.gz AVMYCQXIVGQXGG-YJBOKZPZSA-N 2 1 335.496 1.602 20 0 EDADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000347890737 279349911 /nfs/dbraw/zinc/34/99/11/279349911.db2.gz AVMYCQXIVGQXGG-YJBOKZPZSA-N 2 1 335.496 1.602 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418638004 288145375 /nfs/dbraw/zinc/14/53/75/288145375.db2.gz KKVBEMVNZUANIQ-HUUCEWRRSA-N 2 1 340.512 1.251 20 0 EDADMP CC(C)[C@H](C(=O)NCCC1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245385548 280170197 /nfs/dbraw/zinc/17/01/97/280170197.db2.gz DUVPUTBHQXOQSK-JFIYKMOQSA-N 2 1 339.524 1.968 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000121816798 280283127 /nfs/dbraw/zinc/28/31/27/280283127.db2.gz QAIXCSONYJFPCG-INIZCTEOSA-N 2 1 348.491 1.801 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000121816798 280283130 /nfs/dbraw/zinc/28/31/30/280283130.db2.gz QAIXCSONYJFPCG-INIZCTEOSA-N 2 1 348.491 1.801 20 0 EDADMP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](O)c1ccccc1 ZINC000288566426 288516065 /nfs/dbraw/zinc/51/60/65/288516065.db2.gz MRVQGQWWFOJSFP-CRAIPNDOSA-N 2 1 341.459 1.440 20 0 EDADMP CC[N@H+](CC(=O)N1CCN(Cc2cccs2)CC1)C[C@@H](C)OC ZINC000291124794 289004614 /nfs/dbraw/zinc/00/46/14/289004614.db2.gz BCDSJLZFFBRRHB-OAHLLOKOSA-N 2 1 339.505 1.749 20 0 EDADMP CCN(CC(=O)N1CCN(Cc2cccs2)CC1)C[C@@H](C)OC ZINC000291124794 289004617 /nfs/dbraw/zinc/00/46/17/289004617.db2.gz BCDSJLZFFBRRHB-OAHLLOKOSA-N 2 1 339.505 1.749 20 0 EDADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422824985 289172651 /nfs/dbraw/zinc/17/26/51/289172651.db2.gz OUIFWBHKETXGAJ-GUDVDZBRSA-N 3 1 347.503 1.874 20 0 EDADMP COc1ccc([C@@H](O)C2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000291844532 289194678 /nfs/dbraw/zinc/19/46/78/289194678.db2.gz OSGGWUJFTMCHQX-UYAOXDASSA-N 2 1 348.487 1.896 20 0 EDADMP COc1ccc([C@@H](O)C2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000291844532 289194680 /nfs/dbraw/zinc/19/46/80/289194680.db2.gz OSGGWUJFTMCHQX-UYAOXDASSA-N 2 1 348.487 1.896 20 0 EDADMP C[C@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)[NH+]1CCSCC1 ZINC000374166281 289264613 /nfs/dbraw/zinc/26/46/13/289264613.db2.gz WHFXHBWGIQFMJN-OAHLLOKOSA-N 2 1 325.522 1.758 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CCSC1 ZINC000292284155 289305996 /nfs/dbraw/zinc/30/59/96/289305996.db2.gz XQXPYAJSEAKMNP-MRXNPFEDSA-N 2 1 338.477 1.438 20 0 EDADMP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349093 289328944 /nfs/dbraw/zinc/32/89/44/289328944.db2.gz NRWZSQYPHPPNNQ-NUJGCVRESA-N 2 1 342.487 1.332 20 0 EDADMP CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000360748587 289341601 /nfs/dbraw/zinc/34/16/01/289341601.db2.gz XBJQJAFMEFPMBA-GDBMZVCRSA-N 2 1 326.510 1.302 20 0 EDADMP C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422860205 289604674 /nfs/dbraw/zinc/60/46/74/289604674.db2.gz MAUOMMOJEUJRFQ-POAQFYNOSA-N 2 1 344.503 1.468 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000356217854 297357552 /nfs/dbraw/zinc/35/75/52/297357552.db2.gz DMILTYLKGKGVEK-CALCHBBNSA-N 2 1 347.507 1.973 20 0 EDADMP Cc1cc(NC(=O)CN2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)no1 ZINC000377713118 447310498 /nfs/dbraw/zinc/31/04/98/447310498.db2.gz SDGWZJLIHQTJPD-CQSZACIVSA-N 2 1 331.420 2.406 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000372842835 447311221 /nfs/dbraw/zinc/31/12/21/447311221.db2.gz QWAFVOBKIKGFAJ-JFIYKMOQSA-N 2 1 349.519 1.866 20 0 EDADMP C[N@@H+]1CCC[C@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)CC[C@@H]21 ZINC000294963695 303157710 /nfs/dbraw/zinc/15/77/10/303157710.db2.gz NITIOAAWWPWYTF-YOEHRIQHSA-N 2 1 325.416 1.824 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)CC[C@@H]21 ZINC000294963695 303157713 /nfs/dbraw/zinc/15/77/13/303157713.db2.gz NITIOAAWWPWYTF-YOEHRIQHSA-N 2 1 325.416 1.824 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000295216692 303189989 /nfs/dbraw/zinc/18/99/89/303189989.db2.gz BBSAAUASYNNQMU-JKSUJKDBSA-N 2 1 333.476 1.912 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000295216692 303189990 /nfs/dbraw/zinc/18/99/90/303189990.db2.gz BBSAAUASYNNQMU-JKSUJKDBSA-N 2 1 333.476 1.912 20 0 EDADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000295909181 303282305 /nfs/dbraw/zinc/28/23/05/303282305.db2.gz IVDPEZBYYQEGGW-HUUCEWRRSA-N 2 1 334.464 1.856 20 0 EDADMP CC(C)N(C)C(=O)[C@@H](C)N1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000295909181 303282307 /nfs/dbraw/zinc/28/23/07/303282307.db2.gz IVDPEZBYYQEGGW-HUUCEWRRSA-N 2 1 334.464 1.856 20 0 EDADMP C[NH2+]CCC[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000414861323 447331302 /nfs/dbraw/zinc/33/13/02/447331302.db2.gz RWUMCLFOBOUWCQ-UHFFFAOYSA-N 2 1 341.883 1.750 20 0 EDADMP CC(C)OC[C@H](O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000303260947 303744242 /nfs/dbraw/zinc/74/42/42/303744242.db2.gz NYLLBWSKNAQHMN-OKZBNKHCSA-N 2 1 327.513 1.263 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)C(C)C ZINC000414875785 447339131 /nfs/dbraw/zinc/33/91/31/447339131.db2.gz JSLIQVVFGDEXTL-UHFFFAOYSA-N 2 1 332.448 1.117 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000423887643 304913588 /nfs/dbraw/zinc/91/35/88/304913588.db2.gz YHVLUERDKSEGFM-OLMNPRSZSA-N 2 1 349.450 1.437 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000427900608 305000763 /nfs/dbraw/zinc/00/07/63/305000763.db2.gz ZFDYKBKYORBJOX-YJBOKZPZSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000430585092 305057145 /nfs/dbraw/zinc/05/71/45/305057145.db2.gz WGSYLMQPUJIVEW-CVEARBPZSA-N 2 1 325.497 1.901 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000430585092 305057146 /nfs/dbraw/zinc/05/71/46/305057146.db2.gz WGSYLMQPUJIVEW-CVEARBPZSA-N 2 1 325.497 1.901 20 0 EDADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430628131 305060009 /nfs/dbraw/zinc/06/00/09/305060009.db2.gz OBYGPWACVGEMAT-CABCVRRESA-N 2 1 332.448 1.109 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000430636154 305060591 /nfs/dbraw/zinc/06/05/91/305060591.db2.gz IKABCCZMJROCKW-AWEZNQCLSA-N 2 1 345.422 1.298 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000430636154 305060592 /nfs/dbraw/zinc/06/05/92/305060592.db2.gz IKABCCZMJROCKW-AWEZNQCLSA-N 2 1 345.422 1.298 20 0 EDADMP CC(C)(C[NH3+])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000430705434 305062927 /nfs/dbraw/zinc/06/29/27/305062927.db2.gz AINNVGNHCQGVTF-UHFFFAOYSA-N 2 1 325.497 1.901 20 0 EDADMP C[NH+](C)CCOc1ccc(CCNC(=O)c2csc(C[NH3+])n2)cc1 ZINC000430908661 305067660 /nfs/dbraw/zinc/06/76/60/305067660.db2.gz KKYBPLRFFBBUIC-UHFFFAOYSA-N 2 1 348.472 1.515 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430923526 305068324 /nfs/dbraw/zinc/06/83/24/305068324.db2.gz FSVAJOZBLCHVQE-MELADBBJSA-N 2 1 335.448 1.550 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430923526 305068325 /nfs/dbraw/zinc/06/83/25/305068325.db2.gz FSVAJOZBLCHVQE-MELADBBJSA-N 2 1 335.448 1.550 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CC[C@@H](C[NH3+])C2)CC1 ZINC000430960082 305071021 /nfs/dbraw/zinc/07/10/21/305071021.db2.gz GXGDOXFCLLLTTJ-SFHVURJKSA-N 2 1 344.503 1.310 20 0 EDADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000430962218 305071248 /nfs/dbraw/zinc/07/12/48/305071248.db2.gz GOPGKNAWGIZTLO-KRWDZBQOSA-N 2 1 331.460 1.475 20 0 EDADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000430962218 305071249 /nfs/dbraw/zinc/07/12/49/305071249.db2.gz GOPGKNAWGIZTLO-KRWDZBQOSA-N 2 1 331.460 1.475 20 0 EDADMP CCN1CC[NH+](C[C@H](C)CNC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431856304 305084025 /nfs/dbraw/zinc/08/40/25/305084025.db2.gz VLODMLFSUJQISV-QZTJIDSGSA-N 2 1 338.540 1.641 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431856304 305084026 /nfs/dbraw/zinc/08/40/26/305084026.db2.gz VLODMLFSUJQISV-QZTJIDSGSA-N 2 1 338.540 1.641 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431856304 305084027 /nfs/dbraw/zinc/08/40/27/305084027.db2.gz VLODMLFSUJQISV-QZTJIDSGSA-N 2 1 338.540 1.641 20 0 EDADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](n2c(C)nc3c2CCCC3)C1 ZINC000432076196 305087000 /nfs/dbraw/zinc/08/70/00/305087000.db2.gz GSQTZBDBJHXCTK-OCCSQVGLSA-N 2 1 347.463 1.551 20 0 EDADMP C[N@@H+](CCNC(=O)CCC[NH+]1CCC([NH3+])CC1)Cc1ccccc1 ZINC000433122246 305101079 /nfs/dbraw/zinc/10/10/79/305101079.db2.gz VFNGYAXISWZGEZ-UHFFFAOYSA-N 3 1 332.492 1.438 20 0 EDADMP [NH3+]C1CCN(CCCC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000433127057 305101290 /nfs/dbraw/zinc/10/12/90/305101290.db2.gz QUHAMNZSDWYBDL-UHFFFAOYSA-N 2 1 336.524 1.667 20 0 EDADMP CC(C)[C@@H](C[NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000433162318 305102176 /nfs/dbraw/zinc/10/21/76/305102176.db2.gz UHOMLOFTHNJACF-QGZVFWFLSA-N 2 1 336.455 1.295 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433458675 305109952 /nfs/dbraw/zinc/10/99/52/305109952.db2.gz IEQNXRYVQDNFMB-QGZVFWFLSA-N 2 1 342.528 1.861 20 0 EDADMP C[C@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[N@@H+]1CCC[C@H](C)C1 ZINC000435548132 305142127 /nfs/dbraw/zinc/14/21/27/305142127.db2.gz BSADHYXYEVPEOH-UONOGXRCSA-N 2 1 336.484 1.406 20 0 EDADMP C[C@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[N@H+]1CCC[C@H](C)C1 ZINC000435548132 305142128 /nfs/dbraw/zinc/14/21/28/305142128.db2.gz BSADHYXYEVPEOH-UONOGXRCSA-N 2 1 336.484 1.406 20 0 EDADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436062765 305151840 /nfs/dbraw/zinc/15/18/40/305151840.db2.gz JRZXHZYQYFNKOE-CVEARBPZSA-N 2 1 340.512 1.199 20 0 EDADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436062765 305151841 /nfs/dbraw/zinc/15/18/41/305151841.db2.gz JRZXHZYQYFNKOE-CVEARBPZSA-N 2 1 340.512 1.199 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC[N@H+]1C ZINC000442144584 305226066 /nfs/dbraw/zinc/22/60/66/305226066.db2.gz IGPIPDKLUJEOMP-RHSMWYFYSA-N 2 1 346.475 1.328 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000444541268 305250153 /nfs/dbraw/zinc/25/01/53/305250153.db2.gz BOPJDBXXLCLWAZ-HNNXBMFYSA-N 2 1 345.553 1.365 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000444541268 305250154 /nfs/dbraw/zinc/25/01/54/305250154.db2.gz BOPJDBXXLCLWAZ-HNNXBMFYSA-N 2 1 345.553 1.365 20 0 EDADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCC[NH+]1CCSCC1 ZINC000447958897 305289638 /nfs/dbraw/zinc/28/96/38/305289638.db2.gz LCYFACJTHRQIFV-CQSZACIVSA-N 2 1 328.526 1.455 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449329034 305311669 /nfs/dbraw/zinc/31/16/69/305311669.db2.gz HDRNNJWTHJDHNZ-KXBFYZLASA-N 2 1 326.444 1.875 20 0 EDADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449351038 305312324 /nfs/dbraw/zinc/31/23/24/305312324.db2.gz NRDKXYJEYUBQQS-QFBILLFUSA-N 2 1 331.460 1.145 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000451410124 305344264 /nfs/dbraw/zinc/34/42/64/305344264.db2.gz BKSZIPHUPFVJDP-RCCFBDPRSA-N 2 1 337.508 1.601 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000451410120 305344301 /nfs/dbraw/zinc/34/43/01/305344301.db2.gz BKSZIPHUPFVJDP-KURKYZTESA-N 2 1 337.508 1.601 20 0 EDADMP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](CC3(O)CCCC3)C2)CC1 ZINC000451535287 305351930 /nfs/dbraw/zinc/35/19/30/305351930.db2.gz OGZYBHUCYUSQRL-GOSISDBHSA-N 2 1 337.508 1.558 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CC3(O)CCCC3)C2)CC1 ZINC000451535287 305351931 /nfs/dbraw/zinc/35/19/31/305351931.db2.gz OGZYBHUCYUSQRL-GOSISDBHSA-N 2 1 337.508 1.558 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CC3(O)CCCC3)C2)CC1 ZINC000451535287 305351932 /nfs/dbraw/zinc/35/19/32/305351932.db2.gz OGZYBHUCYUSQRL-GOSISDBHSA-N 2 1 337.508 1.558 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CC3(O)CCCC3)C2)CC1 ZINC000451535287 305351933 /nfs/dbraw/zinc/35/19/33/305351933.db2.gz OGZYBHUCYUSQRL-GOSISDBHSA-N 2 1 337.508 1.558 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CC3(O)CCCC3)C2)CC1 ZINC000451535287 305351934 /nfs/dbraw/zinc/35/19/34/305351934.db2.gz OGZYBHUCYUSQRL-GOSISDBHSA-N 2 1 337.508 1.558 20 0 EDADMP CO[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451565630 305353950 /nfs/dbraw/zinc/35/39/50/305353950.db2.gz LMBNDZQNVJORGL-USTZCAOPSA-N 2 1 328.497 1.717 20 0 EDADMP CO[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451565630 305353951 /nfs/dbraw/zinc/35/39/51/305353951.db2.gz LMBNDZQNVJORGL-USTZCAOPSA-N 2 1 328.497 1.717 20 0 EDADMP CO[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451565630 305353952 /nfs/dbraw/zinc/35/39/52/305353952.db2.gz LMBNDZQNVJORGL-USTZCAOPSA-N 2 1 328.497 1.717 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](CCCO)C1)c1ccccc1 ZINC000452126840 305384299 /nfs/dbraw/zinc/38/42/99/305384299.db2.gz VAINENCEHFZXKY-AEFFLSMTSA-N 2 1 333.476 1.500 20 0 EDADMP CC[C@H](C(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@@H+](C)Cc1ccccc1 ZINC000452367689 305393527 /nfs/dbraw/zinc/39/35/27/305393527.db2.gz BTDKKFWUBWVHEI-RBUKOAKNSA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+](C)Cc1ccccc1 ZINC000452367689 305393528 /nfs/dbraw/zinc/39/35/28/305393528.db2.gz BTDKKFWUBWVHEI-RBUKOAKNSA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+](C)Cc1ccccc1 ZINC000452367689 305393529 /nfs/dbraw/zinc/39/35/29/305393529.db2.gz BTDKKFWUBWVHEI-RBUKOAKNSA-N 2 1 347.503 1.860 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)C[NH+]1CCOCC1 ZINC000458408774 447351477 /nfs/dbraw/zinc/35/14/77/447351477.db2.gz HAYAUERLBBFJME-AEFFLSMTSA-N 2 1 338.496 1.082 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)C[NH+]1CCOCC1 ZINC000458408774 447351482 /nfs/dbraw/zinc/35/14/82/447351482.db2.gz HAYAUERLBBFJME-AEFFLSMTSA-N 2 1 338.496 1.082 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccccn1)CC2 ZINC000515658266 305726401 /nfs/dbraw/zinc/72/64/01/305726401.db2.gz RIDMZUFGFPELMM-INIZCTEOSA-N 2 1 341.459 1.739 20 0 EDADMP CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000456323641 447360191 /nfs/dbraw/zinc/36/01/91/447360191.db2.gz WILFPHSVTWALFR-DEFDSWJHSA-N 2 1 337.508 1.862 20 0 EDADMP CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000456323641 447360194 /nfs/dbraw/zinc/36/01/94/447360194.db2.gz WILFPHSVTWALFR-DEFDSWJHSA-N 2 1 337.508 1.862 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2ccccn2)CC1 ZINC000521721326 305792189 /nfs/dbraw/zinc/79/21/89/305792189.db2.gz SLQRJUHVLUFNCW-UHFFFAOYSA-N 2 1 325.416 1.800 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H](O)C2CCCCC2)CC1 ZINC000527357779 305845591 /nfs/dbraw/zinc/84/55/91/305845591.db2.gz USHWIBBIMCWNDM-QGZVFWFLSA-N 2 1 332.448 1.713 20 0 EDADMP COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cn1c[nH+]cc1C ZINC000529487367 305915329 /nfs/dbraw/zinc/91/53/29/305915329.db2.gz KYHUHURDDDPDFM-UHFFFAOYSA-N 2 1 332.404 1.779 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCc3n[nH]cc3C2)CC1 ZINC000535989290 306018718 /nfs/dbraw/zinc/01/87/18/306018718.db2.gz QROBLDGMCGXYRH-ZDUSSCGKSA-N 2 1 340.431 1.300 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)[C@H]2C1 ZINC000540913508 306041366 /nfs/dbraw/zinc/04/13/66/306041366.db2.gz RKBOVBQZIQNHEE-QRVBRYPASA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)[C@H]2C1 ZINC000540913508 306041367 /nfs/dbraw/zinc/04/13/67/306041367.db2.gz RKBOVBQZIQNHEE-QRVBRYPASA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)[C@H]2C1 ZINC000540913508 306041368 /nfs/dbraw/zinc/04/13/68/306041368.db2.gz RKBOVBQZIQNHEE-QRVBRYPASA-N 2 1 342.487 1.846 20 0 EDADMP CN(CCC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc[nH+]cc1 ZINC000541856500 306048315 /nfs/dbraw/zinc/04/83/15/306048315.db2.gz MBSYPUMYKGFDMG-ROUUACIJSA-N 2 1 346.475 1.668 20 0 EDADMP CC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000547649330 306106240 /nfs/dbraw/zinc/10/62/40/306106240.db2.gz MCZYIIXJAHMQQB-HQRMLTQVSA-N 2 1 345.487 1.612 20 0 EDADMP CC[C@]1(O)CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000547649330 306106241 /nfs/dbraw/zinc/10/62/41/306106241.db2.gz MCZYIIXJAHMQQB-HQRMLTQVSA-N 2 1 345.487 1.612 20 0 EDADMP CC[C@]1(O)CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000547649330 306106242 /nfs/dbraw/zinc/10/62/42/306106242.db2.gz MCZYIIXJAHMQQB-HQRMLTQVSA-N 2 1 345.487 1.612 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000548102189 306119997 /nfs/dbraw/zinc/11/99/97/306119997.db2.gz YBEXBGDBCMHWBP-SJORKVTESA-N 2 1 338.496 1.100 20 0 EDADMP CC[N@@H+](CCNC(=O)N(C)CC[NH+]1CCCC1)CCC(F)(F)F ZINC000425957640 447367859 /nfs/dbraw/zinc/36/78/59/447367859.db2.gz JJFICNHEJWGPGO-UHFFFAOYSA-N 2 1 338.418 1.998 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000556162328 306208606 /nfs/dbraw/zinc/20/86/06/306208606.db2.gz SFFCFKQDMICLPV-QGZVFWFLSA-N 2 1 343.431 1.090 20 0 EDADMP C[C@H](CNC(=O)C(=O)NCCCCn1ccnc1)[N@H+]1CCC[C@@H](C)C1 ZINC000556642575 306212473 /nfs/dbraw/zinc/21/24/73/306212473.db2.gz UQRZHLABBNKDHO-HZPDHXFCSA-N 2 1 349.479 1.016 20 0 EDADMP CC[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000557182809 306225581 /nfs/dbraw/zinc/22/55/81/306225581.db2.gz MWWAQWPEBOOJNQ-SQNIBIBYSA-N 2 1 346.475 1.409 20 0 EDADMP CC[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000557182809 306225582 /nfs/dbraw/zinc/22/55/82/306225582.db2.gz MWWAQWPEBOOJNQ-SQNIBIBYSA-N 2 1 346.475 1.409 20 0 EDADMP C[C@]1(CNC(=O)NC[C@@H]2C[NH2+]CCO2)CCC[N@H+]1Cc1ccccc1 ZINC000557204746 306226378 /nfs/dbraw/zinc/22/63/78/306226378.db2.gz HMRFRNSKNMXNRE-PKOBYXMFSA-N 2 1 346.475 1.329 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)NCc2cccc(C[NH+]3CCO[C@@H](C)C3)c2)C1 ZINC000557568500 306229575 /nfs/dbraw/zinc/22/95/75/306229575.db2.gz DLPGJACRVBXUEL-IRXDYDNUSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(C[NH+]3CCO[C@@H](C)C3)c2)C1 ZINC000557568500 306229576 /nfs/dbraw/zinc/22/95/76/306229576.db2.gz DLPGJACRVBXUEL-IRXDYDNUSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000557568500 306229577 /nfs/dbraw/zinc/22/95/77/306229577.db2.gz DLPGJACRVBXUEL-IRXDYDNUSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000557568500 306229578 /nfs/dbraw/zinc/22/95/78/306229578.db2.gz DLPGJACRVBXUEL-IRXDYDNUSA-N 2 1 345.487 1.865 20 0 EDADMP COC[C@]1(C[NH2+][C@H](C)CC(=O)Nc2cccc(OC)c2)CCC[NH2+]1 ZINC000414948780 447368783 /nfs/dbraw/zinc/36/87/83/447368783.db2.gz XZFQZOBJKKGLNW-RDTXWAMCSA-N 2 1 335.448 1.771 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](CN[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000414955995 447372200 /nfs/dbraw/zinc/37/22/00/447372200.db2.gz PJRBTFWKQAZMQW-BEFAXECRSA-N 2 1 340.471 1.627 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)C(C)(C)C[NH+](C)C ZINC000458515202 447396784 /nfs/dbraw/zinc/39/67/84/447396784.db2.gz KWPLSSRBGXEYGY-GJZGRUSLSA-N 2 1 328.501 1.109 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](Nc3ccc(C(F)(F)F)nn3)C2)CC1 ZINC000378363866 447422492 /nfs/dbraw/zinc/42/24/92/447422492.db2.gz NEIOLHHPAYHNIN-NSHDSACASA-N 2 1 329.370 2.076 20 0 EDADMP C[C@H](CCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCCCC1 ZINC000458648628 447437792 /nfs/dbraw/zinc/43/77/92/447437792.db2.gz MFVJQZYDYUOKLM-IAGOWNOFSA-N 2 1 340.512 1.397 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000081023300 441222154 /nfs/dbraw/zinc/22/21/54/441222154.db2.gz LXQOXHOKJVHRPI-MSOLQXFVSA-N 2 1 337.508 1.678 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000081023300 441222162 /nfs/dbraw/zinc/22/21/62/441222162.db2.gz LXQOXHOKJVHRPI-MSOLQXFVSA-N 2 1 337.508 1.678 20 0 EDADMP CN(C)C(=O)Cc1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)cs1 ZINC000104947478 441223271 /nfs/dbraw/zinc/22/32/71/441223271.db2.gz QIGNPTUCKWYFAJ-UHFFFAOYSA-N 2 1 338.521 1.938 20 0 EDADMP C[C@H](c1ccccc1)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000104961258 441224875 /nfs/dbraw/zinc/22/48/75/441224875.db2.gz PEENRUXNAHKSQC-SJLPKXTDSA-N 2 1 331.460 1.349 20 0 EDADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C(C)C ZINC000081397530 441264106 /nfs/dbraw/zinc/26/41/06/441264106.db2.gz JTWGMKUPZTUIGT-UHFFFAOYSA-N 2 1 347.507 1.440 20 0 EDADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000106388386 441336331 /nfs/dbraw/zinc/33/63/31/441336331.db2.gz HMWIGOLZUPHBEY-HNNXBMFYSA-N 2 1 336.432 1.571 20 0 EDADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000106388386 441336334 /nfs/dbraw/zinc/33/63/34/441336334.db2.gz HMWIGOLZUPHBEY-HNNXBMFYSA-N 2 1 336.432 1.571 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000378531038 447439640 /nfs/dbraw/zinc/43/96/40/447439640.db2.gz SQUXYFNHVYWELP-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1)C(C)C ZINC000106556161 441355750 /nfs/dbraw/zinc/35/57/50/441355750.db2.gz OFCURFPKYFDFCX-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000050203691 441377630 /nfs/dbraw/zinc/37/76/30/441377630.db2.gz JRIJPLKOLHYJSO-KRWDZBQOSA-N 2 1 344.459 1.383 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000085362918 441433918 /nfs/dbraw/zinc/43/39/18/441433918.db2.gz SWUFXJCSYURAIM-CVEARBPZSA-N 2 1 341.544 1.145 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000085387884 441436382 /nfs/dbraw/zinc/43/63/82/441436382.db2.gz DJJFEAXYEJENNM-ZACQAIPSSA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000085387884 441436388 /nfs/dbraw/zinc/43/63/88/441436388.db2.gz DJJFEAXYEJENNM-ZACQAIPSSA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000085387884 441436392 /nfs/dbraw/zinc/43/63/92/441436392.db2.gz DJJFEAXYEJENNM-ZACQAIPSSA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000108344742 441446755 /nfs/dbraw/zinc/44/67/55/441446755.db2.gz RWDDCVGEWFOXEG-YVSFHVDLSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000108344742 441446759 /nfs/dbraw/zinc/44/67/59/441446759.db2.gz RWDDCVGEWFOXEG-YVSFHVDLSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000108344742 441446762 /nfs/dbraw/zinc/44/67/62/441446762.db2.gz RWDDCVGEWFOXEG-YVSFHVDLSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000108344742 441446765 /nfs/dbraw/zinc/44/67/65/441446765.db2.gz RWDDCVGEWFOXEG-YVSFHVDLSA-N 2 1 325.497 1.578 20 0 EDADMP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000052501853 441455323 /nfs/dbraw/zinc/45/53/23/441455323.db2.gz NVPONQXOAMOYBG-SFHVURJKSA-N 2 1 346.475 1.412 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000052501853 441455328 /nfs/dbraw/zinc/45/53/28/441455328.db2.gz NVPONQXOAMOYBG-SFHVURJKSA-N 2 1 346.475 1.412 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000108590999 441467200 /nfs/dbraw/zinc/46/72/00/441467200.db2.gz DMFSHSLJTAJQND-KRWDZBQOSA-N 2 1 338.496 1.082 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000089592169 441561870 /nfs/dbraw/zinc/56/18/70/441561870.db2.gz BCEMTOOMGABWCL-QGZVFWFLSA-N 2 1 345.487 1.736 20 0 EDADMP CN(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)S(=O)(=O)c1cccs1 ZINC000090579677 441635609 /nfs/dbraw/zinc/63/56/09/441635609.db2.gz NAOHORALSMWKGY-ZIAGYGMSSA-N 2 1 343.518 1.585 20 0 EDADMP CN(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)S(=O)(=O)c1cccs1 ZINC000090579677 441635614 /nfs/dbraw/zinc/63/56/14/441635614.db2.gz NAOHORALSMWKGY-ZIAGYGMSSA-N 2 1 343.518 1.585 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000173388032 441731609 /nfs/dbraw/zinc/73/16/09/441731609.db2.gz VDHWNZRJQFDIPO-INIZCTEOSA-N 2 1 339.528 1.042 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000173398463 441734031 /nfs/dbraw/zinc/73/40/31/441734031.db2.gz MFXCFSFQNCLRKQ-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1C[NH+](CC2CCN(c3cc[nH+]c(N(C)C)n3)CC2)C[C@H](C)O1 ZINC000077215600 441734173 /nfs/dbraw/zinc/73/41/73/441734173.db2.gz YCCGVJPTHSJOGT-GJZGRUSLSA-N 2 1 333.480 1.868 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)C[N@@H+](C)CCc2ccccc2)C[C@H](C)O1 ZINC000077171452 441728107 /nfs/dbraw/zinc/72/81/07/441728107.db2.gz SACBTDDCTWBBGR-ROUUACIJSA-N 2 1 347.503 1.776 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000173894432 441857695 /nfs/dbraw/zinc/85/76/95/441857695.db2.gz JPVFZOZRGKQIAK-GOSISDBHSA-N 2 1 349.523 1.060 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2CC[NH+](C)CC2)CC1 ZINC000116454748 441823901 /nfs/dbraw/zinc/82/39/01/441823901.db2.gz KCZIJVQIVNPTMM-QGZVFWFLSA-N 2 1 344.503 1.576 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCc3nc4ccccc4c(=O)[nH]3)CC[C@@H]21 ZINC000140024541 441831608 /nfs/dbraw/zinc/83/16/08/441831608.db2.gz KOOSRHMHTOYMEK-YOEHRIQHSA-N 2 1 326.444 1.882 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3nc4ccccc4c(=O)[nH]3)CC[C@@H]21 ZINC000140024541 441831610 /nfs/dbraw/zinc/83/16/10/441831610.db2.gz KOOSRHMHTOYMEK-YOEHRIQHSA-N 2 1 326.444 1.882 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3nc4ccccc4c(=O)[nH]3)CC[C@@H]21 ZINC000140024541 441831616 /nfs/dbraw/zinc/83/16/16/441831616.db2.gz KOOSRHMHTOYMEK-YOEHRIQHSA-N 2 1 326.444 1.882 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3nc4ccccc4c(=O)[nH]3)CC[C@@H]21 ZINC000140024541 441831623 /nfs/dbraw/zinc/83/16/23/441831623.db2.gz KOOSRHMHTOYMEK-YOEHRIQHSA-N 2 1 326.444 1.882 20 0 EDADMP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068636317 441832899 /nfs/dbraw/zinc/83/28/99/441832899.db2.gz IXBAINXWSMRWDG-QZTJIDSGSA-N 2 1 328.460 1.928 20 0 EDADMP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000068636317 441832905 /nfs/dbraw/zinc/83/29/05/441832905.db2.gz IXBAINXWSMRWDG-QZTJIDSGSA-N 2 1 328.460 1.928 20 0 EDADMP C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174239801 441906266 /nfs/dbraw/zinc/90/62/66/441906266.db2.gz JCHPIAXYOVSIMW-OAHLLOKOSA-N 2 1 347.463 1.380 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000174375841 441919262 /nfs/dbraw/zinc/91/92/62/441919262.db2.gz ZDFWDPNYEDUPTB-SFHVURJKSA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000174375841 441919267 /nfs/dbraw/zinc/91/92/67/441919267.db2.gz ZDFWDPNYEDUPTB-SFHVURJKSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)NC(N)=O ZINC000174155632 441893970 /nfs/dbraw/zinc/89/39/70/441893970.db2.gz IIGFQHPVEHBXCY-ZDUSSCGKSA-N 2 1 344.415 1.585 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000174804868 441970933 /nfs/dbraw/zinc/97/09/33/441970933.db2.gz QOOOTKPPHAFBSJ-UHFFFAOYSA-N 2 1 328.501 1.563 20 0 EDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000151121345 442008117 /nfs/dbraw/zinc/00/81/17/442008117.db2.gz XYEITKZSUWOPOU-LSDHHAIUSA-N 2 1 339.505 1.977 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000151121345 442008122 /nfs/dbraw/zinc/00/81/22/442008122.db2.gz XYEITKZSUWOPOU-LSDHHAIUSA-N 2 1 339.505 1.977 20 0 EDADMP CO[C@H](C)c1noc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)n1 ZINC000162188301 442071862 /nfs/dbraw/zinc/07/18/62/442071862.db2.gz UAVDKDOAWBQNMS-CYBMUJFWSA-N 2 1 325.457 1.235 20 0 EDADMP CO[C@H](C)c1noc(CN(C)CCN(C)C2CC[NH+](C)CC2)n1 ZINC000162188301 442071868 /nfs/dbraw/zinc/07/18/68/442071868.db2.gz UAVDKDOAWBQNMS-CYBMUJFWSA-N 2 1 325.457 1.235 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175754191 442116493 /nfs/dbraw/zinc/11/64/93/442116493.db2.gz BHVZKLFYZUBLEX-QGZVFWFLSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC000121150625 442183364 /nfs/dbraw/zinc/18/33/64/442183364.db2.gz XVNUVTQAJURNJW-IQMFZBJNSA-N 2 1 338.517 1.949 20 0 EDADMP CN(CC(=O)N1CCC(c2ccccc2)=N1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152377915 442205215 /nfs/dbraw/zinc/20/52/15/442205215.db2.gz RBXYVXLTUWDYBB-INIZCTEOSA-N 2 1 328.460 1.897 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000127915709 442233192 /nfs/dbraw/zinc/23/31/92/442233192.db2.gz PLPRABUPICNXPS-IYBDPMFKSA-N 2 1 342.528 1.905 20 0 EDADMP CC[NH+](CC)CCCNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000127915709 442233195 /nfs/dbraw/zinc/23/31/95/442233195.db2.gz PLPRABUPICNXPS-IYBDPMFKSA-N 2 1 342.528 1.905 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000129591778 442324457 /nfs/dbraw/zinc/32/44/57/442324457.db2.gz ARQJQYZLTBUKBP-INIZCTEOSA-N 2 1 333.480 1.869 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000129591778 442324460 /nfs/dbraw/zinc/32/44/60/442324460.db2.gz ARQJQYZLTBUKBP-INIZCTEOSA-N 2 1 333.480 1.869 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000171200552 442326776 /nfs/dbraw/zinc/32/67/76/442326776.db2.gz BBOLIOVMJVNZME-NVXWUHKLSA-N 2 1 328.501 1.374 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-n2ccnc2)nc1 ZINC000129782939 442331474 /nfs/dbraw/zinc/33/14/74/442331474.db2.gz ZGPBPBDORSIAOV-UHFFFAOYSA-N 2 1 328.464 1.337 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)CC[N@@H+]1C ZINC000177768435 442381982 /nfs/dbraw/zinc/38/19/82/442381982.db2.gz LSZSSBGLIAKZMC-HOCLYGCPSA-N 2 1 325.478 1.178 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)CC[N@H+]1C ZINC000177768435 442381984 /nfs/dbraw/zinc/38/19/84/442381984.db2.gz LSZSSBGLIAKZMC-HOCLYGCPSA-N 2 1 325.478 1.178 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCOCC2)[C@H](C)C1 ZINC000155318562 442387072 /nfs/dbraw/zinc/38/70/72/442387072.db2.gz ZPTXYWQWLKSABF-MSOLQXFVSA-N 2 1 341.540 1.824 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000177844177 442390750 /nfs/dbraw/zinc/39/07/50/442390750.db2.gz WMOGDHVGYXTXCN-IAGOWNOFSA-N 2 1 340.512 1.326 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000177844177 442390752 /nfs/dbraw/zinc/39/07/52/442390752.db2.gz WMOGDHVGYXTXCN-IAGOWNOFSA-N 2 1 340.512 1.326 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000177844177 442390755 /nfs/dbraw/zinc/39/07/55/442390755.db2.gz WMOGDHVGYXTXCN-IAGOWNOFSA-N 2 1 340.512 1.326 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CCN1CCOC ZINC000130984061 442361257 /nfs/dbraw/zinc/36/12/57/442361257.db2.gz MLBKGIJVEBYVKI-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1CCOC ZINC000130984061 442361262 /nfs/dbraw/zinc/36/12/62/442361262.db2.gz MLBKGIJVEBYVKI-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1CCOC ZINC000130984061 442361266 /nfs/dbraw/zinc/36/12/66/442361266.db2.gz MLBKGIJVEBYVKI-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1CCOC ZINC000130984061 442361270 /nfs/dbraw/zinc/36/12/70/442361270.db2.gz MLBKGIJVEBYVKI-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000133218843 442408873 /nfs/dbraw/zinc/40/88/73/442408873.db2.gz SQJLKLDTRLVTLY-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000133218843 442408875 /nfs/dbraw/zinc/40/88/75/442408875.db2.gz SQJLKLDTRLVTLY-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000133218843 442408877 /nfs/dbraw/zinc/40/88/77/442408877.db2.gz SQJLKLDTRLVTLY-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000133218843 442408882 /nfs/dbraw/zinc/40/88/82/442408882.db2.gz SQJLKLDTRLVTLY-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCN(c2ncc(CNC3CC(C)(C)[NH2+]C(C)(C)C3)cn2)CC1 ZINC000133620201 442427028 /nfs/dbraw/zinc/42/70/28/442427028.db2.gz IGPYVBQZUMQLGX-UHFFFAOYSA-N 2 1 346.523 1.627 20 0 EDADMP CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000178869409 442509127 /nfs/dbraw/zinc/50/91/27/442509127.db2.gz XEVSWQBCHWGKJH-GUDVDZBRSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000178869409 442509130 /nfs/dbraw/zinc/50/91/30/442509130.db2.gz XEVSWQBCHWGKJH-GUDVDZBRSA-N 2 1 345.487 1.782 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CCC[NH2+]3)cc2F)CC1 ZINC000178750583 442474639 /nfs/dbraw/zinc/47/46/39/442474639.db2.gz CCDUNJZJJKQBNX-OAHLLOKOSA-N 2 1 334.439 1.449 20 0 EDADMP COCCN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000179562510 442475132 /nfs/dbraw/zinc/47/51/32/442475132.db2.gz JUJQICRCPRVZNL-LSDHHAIUSA-N 2 1 329.485 1.942 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000178975537 442542692 /nfs/dbraw/zinc/54/26/92/442542692.db2.gz WEFLDBANKAFAKK-UHFFFAOYSA-N 2 1 325.478 1.205 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N(C)CCC[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000186400844 442526808 /nfs/dbraw/zinc/52/68/08/442526808.db2.gz OALLHRLAYGAWSI-UHFFFAOYSA-N 2 1 348.495 1.655 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000157605978 442597434 /nfs/dbraw/zinc/59/74/34/442597434.db2.gz ICFIBPXDJGFFJJ-CALCHBBNSA-N 2 1 325.497 1.018 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000179214803 442598017 /nfs/dbraw/zinc/59/80/17/442598017.db2.gz VEQNLAVHZRQWLQ-HKUYNNGSSA-N 2 1 344.503 1.390 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000186763180 442607381 /nfs/dbraw/zinc/60/73/81/442607381.db2.gz GCJYEYZKKKDAGN-INMHGKMJSA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000186763180 442607384 /nfs/dbraw/zinc/60/73/84/442607384.db2.gz GCJYEYZKKKDAGN-INMHGKMJSA-N 2 1 325.497 1.673 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000186976360 442637836 /nfs/dbraw/zinc/63/78/36/442637836.db2.gz GZXKVSJINFPHOB-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NCCOc1ccccc1 ZINC000136297428 442658363 /nfs/dbraw/zinc/65/83/63/442658363.db2.gz PMCAXEUBNSJGAW-UHFFFAOYSA-N 2 1 330.432 1.709 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCCOc1ccccc1 ZINC000136297428 442658366 /nfs/dbraw/zinc/65/83/66/442658366.db2.gz PMCAXEUBNSJGAW-UHFFFAOYSA-N 2 1 330.432 1.709 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000187140794 442655487 /nfs/dbraw/zinc/65/54/87/442655487.db2.gz PCHHGFLZABPPKK-HNNXBMFYSA-N 2 1 340.512 1.346 20 0 EDADMP CCn1nccc1N1CCC[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000188570566 442764364 /nfs/dbraw/zinc/76/43/64/442764364.db2.gz UQPVQBVTFIWFBE-ARFHVFGLSA-N 2 1 331.464 1.615 20 0 EDADMP CCn1nccc1N1CCC[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000188570566 442764367 /nfs/dbraw/zinc/76/43/67/442764367.db2.gz UQPVQBVTFIWFBE-ARFHVFGLSA-N 2 1 331.464 1.615 20 0 EDADMP C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000246333556 442773356 /nfs/dbraw/zinc/77/33/56/442773356.db2.gz IILOWIOBYQOJGV-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000265577306 442830531 /nfs/dbraw/zinc/83/05/31/442830531.db2.gz XRCXXPXNCFIASI-QGZVFWFLSA-N 2 1 330.476 1.116 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000265577306 442830535 /nfs/dbraw/zinc/83/05/35/442830535.db2.gz XRCXXPXNCFIASI-QGZVFWFLSA-N 2 1 330.476 1.116 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000265577306 442830539 /nfs/dbraw/zinc/83/05/39/442830539.db2.gz XRCXXPXNCFIASI-QGZVFWFLSA-N 2 1 330.476 1.116 20 0 EDADMP C[NH+](C)C/C=C/C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000265624855 442851049 /nfs/dbraw/zinc/85/10/49/442851049.db2.gz IEGWOQVXHJDAJZ-MQDFFIGUSA-N 2 1 344.459 1.440 20 0 EDADMP C[N@@H+](CCN1CCOCC1)CCN1CCN(c2ccccc2)CC1 ZINC000265633177 442854109 /nfs/dbraw/zinc/85/41/09/442854109.db2.gz FORSZWXFGKQIRJ-UHFFFAOYSA-N 2 1 332.492 1.073 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC000248599551 442904486 /nfs/dbraw/zinc/90/44/86/442904486.db2.gz IVEQLNBKCQMTPS-NXOAAHMSSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC000248599551 442904491 /nfs/dbraw/zinc/90/44/91/442904491.db2.gz IVEQLNBKCQMTPS-NXOAAHMSSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC000248599551 442904496 /nfs/dbraw/zinc/90/44/96/442904496.db2.gz IVEQLNBKCQMTPS-NXOAAHMSSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)CO[C@@H]1CCN(C[C@@H](O)C[N@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000248733390 442921935 /nfs/dbraw/zinc/92/19/35/442921935.db2.gz LUHCPZHMSAXDLY-LDLYASANSA-N 2 1 342.524 1.841 20 0 EDADMP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000194647369 442931445 /nfs/dbraw/zinc/93/14/45/442931445.db2.gz CRXMMWHGJFQUQK-KRWDZBQOSA-N 2 1 344.503 1.535 20 0 EDADMP COC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000265853656 442945607 /nfs/dbraw/zinc/94/56/07/442945607.db2.gz YXYWUFQGJUPSRT-QXAKKESOSA-N 2 1 345.487 1.734 20 0 EDADMP COC[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000265853656 442945612 /nfs/dbraw/zinc/94/56/12/442945612.db2.gz YXYWUFQGJUPSRT-QXAKKESOSA-N 2 1 345.487 1.734 20 0 EDADMP COC[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000265853656 442945614 /nfs/dbraw/zinc/94/56/14/442945614.db2.gz YXYWUFQGJUPSRT-QXAKKESOSA-N 2 1 345.487 1.734 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1(C)C ZINC000249052312 442947829 /nfs/dbraw/zinc/94/78/29/442947829.db2.gz BLLQQYKJQCTATL-FSZRXZPDSA-N 2 1 325.497 1.756 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000194746475 442948120 /nfs/dbraw/zinc/94/81/20/442948120.db2.gz ZJNYKIBIMDCVTM-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000194746475 442948124 /nfs/dbraw/zinc/94/81/24/442948124.db2.gz ZJNYKIBIMDCVTM-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000194746475 442948127 /nfs/dbraw/zinc/94/81/27/442948127.db2.gz ZJNYKIBIMDCVTM-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000194746475 442948132 /nfs/dbraw/zinc/94/81/32/442948132.db2.gz ZJNYKIBIMDCVTM-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000189449081 442957058 /nfs/dbraw/zinc/95/70/58/442957058.db2.gz GWRCKAXPFJIQCR-UHFFFAOYSA-N 2 1 348.491 1.923 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H](C)C(C)C)[C@@H](C)C1 ZINC000249288224 442963307 /nfs/dbraw/zinc/96/33/07/442963307.db2.gz LZBPRAUUOZBZRD-ULQDDVLXSA-N 2 1 327.513 1.874 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H](C)C(C)C)[C@@H](C)C1 ZINC000249288224 442963310 /nfs/dbraw/zinc/96/33/10/442963310.db2.gz LZBPRAUUOZBZRD-ULQDDVLXSA-N 2 1 327.513 1.874 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@H](C)C(C)C)[C@@H](C)C1 ZINC000249288219 442963611 /nfs/dbraw/zinc/96/36/11/442963611.db2.gz LZBPRAUUOZBZRD-BBWFWOEESA-N 2 1 327.513 1.874 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@H](C)C(C)C)[C@@H](C)C1 ZINC000249288219 442963616 /nfs/dbraw/zinc/96/36/16/442963616.db2.gz LZBPRAUUOZBZRD-BBWFWOEESA-N 2 1 327.513 1.874 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000195130063 442987816 /nfs/dbraw/zinc/98/78/16/442987816.db2.gz ZPZPYIIYPOKYFL-MAUKXSAKSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000195130063 442987823 /nfs/dbraw/zinc/98/78/23/442987823.db2.gz ZPZPYIIYPOKYFL-MAUKXSAKSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000195130063 442987829 /nfs/dbraw/zinc/98/78/29/442987829.db2.gz ZPZPYIIYPOKYFL-MAUKXSAKSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000195321453 443009559 /nfs/dbraw/zinc/00/95/59/443009559.db2.gz APSQGUFJRKHYGJ-GJZGRUSLSA-N 2 1 337.508 1.865 20 0 EDADMP CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000184586063 443045104 /nfs/dbraw/zinc/04/51/04/443045104.db2.gz XXCKRXLFPDJCHJ-MJGOQNOKSA-N 2 1 346.519 1.679 20 0 EDADMP CCN1CC[NH+](CCC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1 ZINC000266197966 443053259 /nfs/dbraw/zinc/05/32/59/443053259.db2.gz YIDYSQIOIRAEHL-UHFFFAOYSA-N 2 1 346.519 1.604 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000266477616 443139724 /nfs/dbraw/zinc/13/97/24/443139724.db2.gz CYXHSBCJUJZBOP-RTBURBONSA-N 2 1 345.487 1.642 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000185138437 443145583 /nfs/dbraw/zinc/14/55/83/443145583.db2.gz SRYZBYVITYVNQL-INIZCTEOSA-N 2 1 341.544 1.432 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268809998 443115728 /nfs/dbraw/zinc/11/57/28/443115728.db2.gz DNAVHZCCVMIKFD-FUHWJXTLSA-N 3 1 335.492 1.734 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)C[NH2+]C3CC3)CC[N@H+]2C2CC2)c1 ZINC000237544255 443175402 /nfs/dbraw/zinc/17/54/02/443175402.db2.gz HEQCLMLQLKARBD-PKOBYXMFSA-N 2 1 329.444 1.841 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C3([NH3+])CCCC3)CC2)oc1C ZINC000237720099 443180137 /nfs/dbraw/zinc/18/01/37/443180137.db2.gz UCWGLUKDIFUUHH-UHFFFAOYSA-N 2 1 334.464 1.891 20 0 EDADMP c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)nc1 ZINC000262052735 443181407 /nfs/dbraw/zinc/18/14/07/443181407.db2.gz ZVPZYOBPODESIY-KZNAEPCWSA-N 2 1 330.476 1.797 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000237977367 443190923 /nfs/dbraw/zinc/19/09/23/443190923.db2.gz MZGLHPALWSULBB-MOPGFXCFSA-N 2 1 344.503 1.438 20 0 EDADMP COCC1(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000262382388 443192159 /nfs/dbraw/zinc/19/21/59/443192159.db2.gz NZRYTMWQYAISIY-WMZOPIPTSA-N 2 1 345.487 1.782 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000185209533 443160911 /nfs/dbraw/zinc/16/09/11/443160911.db2.gz GUSBFODPVBEVNV-KRWDZBQOSA-N 2 1 332.492 1.895 20 0 EDADMP CC(C)CNC(=O)NC(=O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674621 443236544 /nfs/dbraw/zinc/23/65/44/443236544.db2.gz TWBSYFOQRICCCH-CABCVRRESA-N 2 1 338.496 1.711 20 0 EDADMP CC(C)CNC(=O)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674621 443236548 /nfs/dbraw/zinc/23/65/48/443236548.db2.gz TWBSYFOQRICCCH-CABCVRRESA-N 2 1 338.496 1.711 20 0 EDADMP CC(C)CNC(=O)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674621 443236553 /nfs/dbraw/zinc/23/65/53/443236553.db2.gz TWBSYFOQRICCCH-CABCVRRESA-N 2 1 338.496 1.711 20 0 EDADMP CC(C)[C@@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000269126034 443205546 /nfs/dbraw/zinc/20/55/46/443205546.db2.gz KKAARFIXGHPOKR-SFHVURJKSA-N 2 1 347.507 1.296 20 0 EDADMP C[N@H+]1CC[C@@H](c2nc(-c3ccccc3N3CC[NH+](C)CC3)no2)C1 ZINC000350090048 319041504 /nfs/dbraw/zinc/04/15/04/319041504.db2.gz ZJGZZJHUWBVGCC-CQSZACIVSA-N 2 1 327.432 1.908 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[N@H+]1C ZINC000397449410 319134939 /nfs/dbraw/zinc/13/49/39/319134939.db2.gz QIEDJCUCDXWXMB-KFWWJZLASA-N 2 1 327.469 1.695 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC[NH+]([C@H]3CCCCNC3=O)CC2)C[C@H](C)O1 ZINC000245864379 443252124 /nfs/dbraw/zinc/25/21/24/443252124.db2.gz LFYJTTGMTVNMEH-JZXOWHBKSA-N 2 1 337.508 1.866 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000266825150 443258246 /nfs/dbraw/zinc/25/82/46/443258246.db2.gz ITIQYXJCOMZDEV-INIZCTEOSA-N 2 1 333.476 1.734 20 0 EDADMP CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@H]([NH3+])CC(C)C)CC1 ZINC000415084811 319346215 /nfs/dbraw/zinc/34/62/15/319346215.db2.gz ROIICPKGJYHYHC-GOSISDBHSA-N 2 1 332.492 1.818 20 0 EDADMP C[N@@H+](Cc1ccccc1NC(=O)C(=O)NCC[NH3+])C1CCCCC1 ZINC000415268141 319358568 /nfs/dbraw/zinc/35/85/68/319358568.db2.gz JXVHBNSPZYSYKJ-UHFFFAOYSA-N 2 1 332.448 1.465 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000415735919 319367796 /nfs/dbraw/zinc/36/77/96/319367796.db2.gz ZVPZNSJRCCQHIX-KGLIPLIRSA-N 2 1 346.475 1.709 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC[N@H+]1CCOC ZINC000415970744 319386045 /nfs/dbraw/zinc/38/60/45/319386045.db2.gz IIOPHBVJMAXBDO-KRWDZBQOSA-N 2 1 334.464 1.981 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[NH2+]C[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000269274989 443262519 /nfs/dbraw/zinc/26/25/19/443262519.db2.gz WATHQLFIWIUXBO-NZSAHSFTSA-N 2 1 345.487 1.924 20 0 EDADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418587201 319507063 /nfs/dbraw/zinc/50/70/63/319507063.db2.gz GLNBMOMIRSKEHS-WMZOPIPTSA-N 2 1 330.476 1.554 20 0 EDADMP C[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CCN1c1nccn2cnnc12 ZINC000269661542 443384030 /nfs/dbraw/zinc/38/40/30/443384030.db2.gz ONTVMVSNUJQOMB-CVEARBPZSA-N 2 1 343.479 1.509 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCN(Cc1ccccc1)S(C)(=O)=O ZINC000420369944 319612170 /nfs/dbraw/zinc/61/21/70/319612170.db2.gz VJPXDCHQPWYMFY-MRXNPFEDSA-N 2 1 339.505 1.426 20 0 EDADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000422730444 319734219 /nfs/dbraw/zinc/73/42/19/319734219.db2.gz FANZMGCZETXYSX-OAHLLOKOSA-N 2 1 325.478 1.605 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[NH+]1C ZINC000264981749 443499138 /nfs/dbraw/zinc/49/91/38/443499138.db2.gz LNWKNWBKZGTZJA-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000264981749 443499139 /nfs/dbraw/zinc/49/91/39/443499139.db2.gz LNWKNWBKZGTZJA-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000264981749 443499142 /nfs/dbraw/zinc/49/91/42/443499142.db2.gz LNWKNWBKZGTZJA-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CCC(O)CC3)c2)C1 ZINC000286025846 443628393 /nfs/dbraw/zinc/62/83/93/443628393.db2.gz JYPOQLARLLYJKL-VIQWUECVSA-N 2 1 345.487 1.777 20 0 EDADMP COc1c(C)cnc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1C ZINC000436069595 320018852 /nfs/dbraw/zinc/01/88/52/320018852.db2.gz YNJMXOLPPJJTHB-HNNXBMFYSA-N 2 1 334.464 1.527 20 0 EDADMP COc1c(C)cnc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1C ZINC000436069595 320018855 /nfs/dbraw/zinc/01/88/55/320018855.db2.gz YNJMXOLPPJJTHB-HNNXBMFYSA-N 2 1 334.464 1.527 20 0 EDADMP COc1c(C)c[nH+]c(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1C ZINC000436069595 320018859 /nfs/dbraw/zinc/01/88/59/320018859.db2.gz YNJMXOLPPJJTHB-HNNXBMFYSA-N 2 1 334.464 1.527 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000444355362 320126775 /nfs/dbraw/zinc/12/67/75/320126775.db2.gz YVKGZIXNXRHMGG-LPHOPBHVSA-N 2 1 347.503 1.463 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000447442908 320142203 /nfs/dbraw/zinc/14/22/03/320142203.db2.gz SUHSFLPLCBFQHX-ZWKOTPCHSA-N 2 1 347.503 1.939 20 0 EDADMP [NH3+]CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)F ZINC000449623046 320195380 /nfs/dbraw/zinc/19/53/80/320195380.db2.gz KYOLLRKDFLXXIA-GJZGRUSLSA-N 2 1 325.403 1.997 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000457711752 320332779 /nfs/dbraw/zinc/33/27/79/320332779.db2.gz NGFZTAYZUYWBSD-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000457711752 320332780 /nfs/dbraw/zinc/33/27/80/320332780.db2.gz NGFZTAYZUYWBSD-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000457711752 320332781 /nfs/dbraw/zinc/33/27/81/320332781.db2.gz NGFZTAYZUYWBSD-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000457711752 320332782 /nfs/dbraw/zinc/33/27/82/320332782.db2.gz NGFZTAYZUYWBSD-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCCOCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000471647401 320353078 /nfs/dbraw/zinc/35/30/78/320353078.db2.gz GVUFNHKQCSCHTM-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000286266392 443679734 /nfs/dbraw/zinc/67/97/34/443679734.db2.gz VVGWLILAOZAUSD-MSOLQXFVSA-N 2 1 331.460 1.617 20 0 EDADMP [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000286266392 443679738 /nfs/dbraw/zinc/67/97/38/443679738.db2.gz VVGWLILAOZAUSD-MSOLQXFVSA-N 2 1 331.460 1.617 20 0 EDADMP O=S(=O)(CC[NH2+]C1CC[NH+](C2CC2)CC1)NCc1ccccc1 ZINC000298261761 443733320 /nfs/dbraw/zinc/73/33/20/443733320.db2.gz FSOYEMBDOKORPF-UHFFFAOYSA-N 2 1 337.489 1.322 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000299257934 443998645 /nfs/dbraw/zinc/99/86/45/443998645.db2.gz SPOYLYBVNLPQKS-SFHVURJKSA-N 2 1 346.475 1.777 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000299257934 443998649 /nfs/dbraw/zinc/99/86/49/443998649.db2.gz SPOYLYBVNLPQKS-SFHVURJKSA-N 2 1 346.475 1.777 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000288984313 444027990 /nfs/dbraw/zinc/02/79/90/444027990.db2.gz DWNHYVIWXQMECK-KRWDZBQOSA-N 2 1 348.491 1.217 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000288984313 444027994 /nfs/dbraw/zinc/02/79/94/444027994.db2.gz DWNHYVIWXQMECK-KRWDZBQOSA-N 2 1 348.491 1.217 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000299494546 444061815 /nfs/dbraw/zinc/06/18/15/444061815.db2.gz GSYCZWFNTXPNGE-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000557261521 321001602 /nfs/dbraw/zinc/00/16/02/321001602.db2.gz MFZPYFZQYBABTF-UHFFFAOYSA-N 2 1 340.512 1.167 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000557261521 321001603 /nfs/dbraw/zinc/00/16/03/321001603.db2.gz MFZPYFZQYBABTF-UHFFFAOYSA-N 2 1 340.512 1.167 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000557261521 321001604 /nfs/dbraw/zinc/00/16/04/321001604.db2.gz MFZPYFZQYBABTF-UHFFFAOYSA-N 2 1 340.512 1.167 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CC1 ZINC000562991231 321085693 /nfs/dbraw/zinc/08/56/93/321085693.db2.gz MFQSUVDYLUHXAS-AEFFLSMTSA-N 2 1 331.460 1.080 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CC1 ZINC000562991231 321085696 /nfs/dbraw/zinc/08/56/96/321085696.db2.gz MFQSUVDYLUHXAS-AEFFLSMTSA-N 2 1 331.460 1.080 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000563208847 321100378 /nfs/dbraw/zinc/10/03/78/321100378.db2.gz BEDMTZJWVHXRCO-MJGOQNOKSA-N 2 1 344.503 1.681 20 0 EDADMP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000563960520 321117760 /nfs/dbraw/zinc/11/77/60/321117760.db2.gz STVADHYODZFJFB-CZUORRHYSA-N 2 1 330.432 1.011 20 0 EDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564857347 321151949 /nfs/dbraw/zinc/15/19/49/321151949.db2.gz KCDYGBZXUAUAGU-GJZGRUSLSA-N 2 1 336.432 1.477 20 0 EDADMP CN1CC[NH+](CCC(C)(C)NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000565312876 321181492 /nfs/dbraw/zinc/18/14/92/321181492.db2.gz YAKJHHVIUFUGRH-QGZVFWFLSA-N 2 1 338.540 1.783 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000565312876 321181493 /nfs/dbraw/zinc/18/14/93/321181493.db2.gz YAKJHHVIUFUGRH-QGZVFWFLSA-N 2 1 338.540 1.783 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000565312876 321181494 /nfs/dbraw/zinc/18/14/94/321181494.db2.gz YAKJHHVIUFUGRH-QGZVFWFLSA-N 2 1 338.540 1.783 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000565670269 321196918 /nfs/dbraw/zinc/19/69/18/321196918.db2.gz INVUMXLCKWISIH-AWEZNQCLSA-N 2 1 342.447 1.864 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)CC2 ZINC000567054669 321240641 /nfs/dbraw/zinc/24/06/41/321240641.db2.gz XDNINGALPDJTJS-HIFRSBDPSA-N 2 1 334.464 1.058 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)CC2 ZINC000567054669 321240643 /nfs/dbraw/zinc/24/06/43/321240643.db2.gz XDNINGALPDJTJS-HIFRSBDPSA-N 2 1 334.464 1.058 20 0 EDADMP Cc1ccc(NC(=O)[C@@H]2CCCN(C[C@@H](O)C[N@H+](C)C3CC3)C2)nc1 ZINC000289299516 444100724 /nfs/dbraw/zinc/10/07/24/444100724.db2.gz CKPWFWAOEOIICH-WBVHZDCISA-N 2 1 346.475 1.496 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CO)C(C)(C)C)CC2)CC1 ZINC000569000982 321314432 /nfs/dbraw/zinc/31/44/32/321314432.db2.gz VGBUZJJLUHFKBL-QGZVFWFLSA-N 2 1 339.524 1.706 20 0 EDADMP O[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)COc1cccc2[nH]ccc21 ZINC000569921507 321331845 /nfs/dbraw/zinc/33/18/45/321331845.db2.gz VSDGGEVRPRPDGQ-GDBMZVCRSA-N 2 1 329.444 1.982 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(OC(F)F)C3)CC2)CC1 ZINC000570653961 321351810 /nfs/dbraw/zinc/35/18/10/321351810.db2.gz VZQLOFVFUOCCCE-UHFFFAOYSA-N 2 1 345.434 1.633 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@@H](C)C[N@H+]1CCO ZINC000570943743 321365793 /nfs/dbraw/zinc/36/57/93/321365793.db2.gz SISDXXAJBDFXQN-HLLBOEOZSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@@H](C)C[NH+]1CCO ZINC000570943743 321365795 /nfs/dbraw/zinc/36/57/95/321365795.db2.gz SISDXXAJBDFXQN-HLLBOEOZSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@@H](C)C[NH+]1CCO ZINC000570943743 321365796 /nfs/dbraw/zinc/36/57/96/321365796.db2.gz SISDXXAJBDFXQN-HLLBOEOZSA-N 2 1 338.496 1.100 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C2CCN(c3ccccn3)CC2)CC1(C)C ZINC000282325615 444149096 /nfs/dbraw/zinc/14/90/96/444149096.db2.gz NUOSMLGSOIKGQR-UHFFFAOYSA-N 2 1 331.508 1.666 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000301444122 444172277 /nfs/dbraw/zinc/17/22/77/444172277.db2.gz JLMOKEOFVDJVIE-JKSUJKDBSA-N 2 1 333.480 1.748 20 0 EDADMP [NH3+]C1(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCCCC1 ZINC000574666554 321494666 /nfs/dbraw/zinc/49/46/66/321494666.db2.gz OCCDAHMCBKPJGI-CVEARBPZSA-N 2 1 338.496 1.591 20 0 EDADMP Nc1nc(-n2cccn2)cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)[nH+]1 ZINC000301973298 444199180 /nfs/dbraw/zinc/19/91/80/444199180.db2.gz JNEUOUTYLBFIRJ-MELADBBJSA-N 2 1 325.420 1.165 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCC(O)CC1 ZINC000296107806 444204977 /nfs/dbraw/zinc/20/49/77/444204977.db2.gz ZHDZIHUWLXEWGR-PXNSSMCTSA-N 2 1 331.504 1.943 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCC(O)CC1 ZINC000296107806 444204978 /nfs/dbraw/zinc/20/49/78/444204978.db2.gz ZHDZIHUWLXEWGR-PXNSSMCTSA-N 2 1 331.504 1.943 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000305116333 444259096 /nfs/dbraw/zinc/25/90/96/444259096.db2.gz AOVXXPZNELUHAM-JYJNAYRXSA-N 2 1 339.480 1.839 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000305116333 444259098 /nfs/dbraw/zinc/25/90/98/444259098.db2.gz AOVXXPZNELUHAM-JYJNAYRXSA-N 2 1 339.480 1.839 20 0 EDADMP NC(=O)c1c[nH+]ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000302782480 444224525 /nfs/dbraw/zinc/22/45/25/444224525.db2.gz KHBPUVQQNNOSAC-INIZCTEOSA-N 2 1 340.427 1.884 20 0 EDADMP NC(=O)c1c[nH+]ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000302782480 444224527 /nfs/dbraw/zinc/22/45/27/444224527.db2.gz KHBPUVQQNNOSAC-INIZCTEOSA-N 2 1 340.427 1.884 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000577074272 321621082 /nfs/dbraw/zinc/62/10/82/321621082.db2.gz PFHFPHCSDIGOTR-UHFFFAOYSA-N 2 1 325.403 1.794 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000304060949 444241271 /nfs/dbraw/zinc/24/12/71/444241271.db2.gz PAJCOQCYKILBNJ-DLBZAZTESA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3c[nH]c4nccnc34)CC2)CC1 ZINC000290420621 444278867 /nfs/dbraw/zinc/27/88/67/444278867.db2.gz MFHYHRRXSXYZEZ-UHFFFAOYSA-N 2 1 342.491 1.948 20 0 EDADMP [NH3+]Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000310322406 444291358 /nfs/dbraw/zinc/29/13/58/444291358.db2.gz IDINCLOIQMDPOK-UHFFFAOYSA-N 2 1 338.455 1.902 20 0 EDADMP COCCOC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311224356 444292832 /nfs/dbraw/zinc/29/28/32/444292832.db2.gz PDCDHPVRMMFOSM-VAMGGRTRSA-N 2 1 348.487 1.464 20 0 EDADMP COCCOC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311224356 444292834 /nfs/dbraw/zinc/29/28/34/444292834.db2.gz PDCDHPVRMMFOSM-VAMGGRTRSA-N 2 1 348.487 1.464 20 0 EDADMP COCCOC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311224356 444292835 /nfs/dbraw/zinc/29/28/35/444292835.db2.gz PDCDHPVRMMFOSM-VAMGGRTRSA-N 2 1 348.487 1.464 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)C2 ZINC000290565799 444295978 /nfs/dbraw/zinc/29/59/78/444295978.db2.gz YZHJJXHBJQSPGG-HNNXBMFYSA-N 2 1 330.432 1.937 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000337683781 444351031 /nfs/dbraw/zinc/35/10/31/444351031.db2.gz OPUQCCINAIGETH-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000337683781 444351033 /nfs/dbraw/zinc/35/10/33/444351033.db2.gz OPUQCCINAIGETH-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000337683781 444351036 /nfs/dbraw/zinc/35/10/36/444351036.db2.gz OPUQCCINAIGETH-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP c1csc(-c2noc(CCC[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000326438954 444374607 /nfs/dbraw/zinc/37/46/07/444374607.db2.gz UHJNXASPNKCJNS-AWEZNQCLSA-N 2 1 347.488 1.710 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000327861762 444384382 /nfs/dbraw/zinc/38/43/82/444384382.db2.gz OSMDWUADFXAFIP-RDTXWAMCSA-N 2 1 349.450 1.915 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000340479031 444395868 /nfs/dbraw/zinc/39/58/68/444395868.db2.gz ORMNOAUCNUGMSR-HNNXBMFYSA-N 2 1 343.431 1.572 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000340479031 444395871 /nfs/dbraw/zinc/39/58/71/444395871.db2.gz ORMNOAUCNUGMSR-HNNXBMFYSA-N 2 1 343.431 1.572 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000580053734 322002388 /nfs/dbraw/zinc/00/23/88/322002388.db2.gz LBLCTASWJYXUEW-CABCVRRESA-N 2 1 326.485 1.447 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[NH+](Cc2ccccc2)C[C@@H]1C ZINC000580462067 322055208 /nfs/dbraw/zinc/05/52/08/322055208.db2.gz PGHIKXLKRIBHNU-BJLQDIEVSA-N 2 1 349.519 1.520 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000580462067 322055209 /nfs/dbraw/zinc/05/52/09/322055209.db2.gz PGHIKXLKRIBHNU-BJLQDIEVSA-N 2 1 349.519 1.520 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000580462067 322055211 /nfs/dbraw/zinc/05/52/11/322055211.db2.gz PGHIKXLKRIBHNU-BJLQDIEVSA-N 2 1 349.519 1.520 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000580881054 322106929 /nfs/dbraw/zinc/10/69/29/322106929.db2.gz DGMBXRDPGXGVHF-MRXNPFEDSA-N 2 1 348.447 1.401 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000580946169 322115312 /nfs/dbraw/zinc/11/53/12/322115312.db2.gz FGVZQSKVLAHXNK-MNEFBYGVSA-N 2 1 344.503 1.472 20 0 EDADMP C[C@H](C(=O)NC1CC1)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000581076284 322132985 /nfs/dbraw/zinc/13/29/85/322132985.db2.gz CMLAZQHZORYEQS-OAHLLOKOSA-N 2 1 342.487 1.117 20 0 EDADMP [NH3+]C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CCCC1 ZINC000581120953 322138156 /nfs/dbraw/zinc/13/81/56/322138156.db2.gz GYCVFVBEITYEAK-IXDOHACOSA-N 2 1 338.496 1.447 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000581142882 322141770 /nfs/dbraw/zinc/14/17/70/322141770.db2.gz IPGWOLPQRAKZCT-NZSAHSFTSA-N 2 1 344.503 1.943 20 0 EDADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000581191708 322147592 /nfs/dbraw/zinc/14/75/92/322147592.db2.gz DVWOHJUHTGOMLF-GOSISDBHSA-N 2 1 343.471 1.635 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)CCCO)CC2)CC1 ZINC000581438147 322177904 /nfs/dbraw/zinc/17/79/04/322177904.db2.gz HARIIXOKQSVPCB-HNNXBMFYSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000581545055 322190465 /nfs/dbraw/zinc/19/04/65/322190465.db2.gz YNQRMTJJXBRGAC-ZFWWWQNUSA-N 2 1 336.505 1.293 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000581770951 322218380 /nfs/dbraw/zinc/21/83/80/322218380.db2.gz PYAYNDSVLHUKDW-OAHLLOKOSA-N 2 1 340.512 1.611 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342131470 444525138 /nfs/dbraw/zinc/52/51/38/444525138.db2.gz HXNVGYTZCDGGEG-PBWTXFEYSA-N 2 1 345.487 1.938 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000333014338 444629382 /nfs/dbraw/zinc/62/93/82/444629382.db2.gz WBDUFPHXDWJXRE-CIRFHOKZSA-N 2 1 337.508 1.743 20 0 EDADMP CN(CCC[N@H+](C)Cc1ccco1)c1cc[nH+]c(N2CCOCC2)n1 ZINC000343779879 444586880 /nfs/dbraw/zinc/58/68/80/444586880.db2.gz LGSYEMVPTIQFFL-UHFFFAOYSA-N 2 1 345.447 1.865 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)c1cc[nH+]c(N2CCOCC2)n1 ZINC000343779879 444586886 /nfs/dbraw/zinc/58/68/86/444586886.db2.gz LGSYEMVPTIQFFL-UHFFFAOYSA-N 2 1 345.447 1.865 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCCC[C@H]1C ZINC000340941639 444587985 /nfs/dbraw/zinc/58/79/85/444587985.db2.gz UHUBHHHHNYABMY-CVEARBPZSA-N 2 1 328.501 1.517 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000340941639 444587989 /nfs/dbraw/zinc/58/79/89/444587989.db2.gz UHUBHHHHNYABMY-CVEARBPZSA-N 2 1 328.501 1.517 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000340941639 444587993 /nfs/dbraw/zinc/58/79/93/444587993.db2.gz UHUBHHHHNYABMY-CVEARBPZSA-N 2 1 328.501 1.517 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000332947557 444606775 /nfs/dbraw/zinc/60/67/75/444606775.db2.gz SAWCUEWISHIKBR-DOMZBBRYSA-N 2 1 344.463 1.681 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000332947557 444606776 /nfs/dbraw/zinc/60/67/76/444606776.db2.gz SAWCUEWISHIKBR-DOMZBBRYSA-N 2 1 344.463 1.681 20 0 EDADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[NH2+]CC1(F)F ZINC000343860734 444633061 /nfs/dbraw/zinc/63/30/61/444633061.db2.gz GHXCPYHICOBVFN-OAHLLOKOSA-N 2 1 338.402 1.659 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333248917 444650866 /nfs/dbraw/zinc/65/08/66/444650866.db2.gz GIKBYCXRDTVWCJ-MGMWPHTOSA-N 2 1 334.508 1.876 20 0 EDADMP Cc1cnc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000333301731 444655780 /nfs/dbraw/zinc/65/57/80/444655780.db2.gz HSGFVQGBWGRXIC-YLFCFFPRSA-N 3 1 346.523 2.574 20 0 EDADMP Cc1cnc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000333301731 444655784 /nfs/dbraw/zinc/65/57/84/444655784.db2.gz HSGFVQGBWGRXIC-YLFCFFPRSA-N 3 1 346.523 2.574 20 0 EDADMP Cc1cnc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000333301731 444655786 /nfs/dbraw/zinc/65/57/86/444655786.db2.gz HSGFVQGBWGRXIC-YLFCFFPRSA-N 3 1 346.523 2.574 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@H]1C ZINC000343916187 444666353 /nfs/dbraw/zinc/66/63/53/444666353.db2.gz KWOYGUKINVHPSE-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CCC[N@H+]1C ZINC000343919997 444669468 /nfs/dbraw/zinc/66/94/68/444669468.db2.gz CNAYQRTWXOIIJD-GOEBONIOSA-N 2 1 349.479 1.304 20 0 EDADMP COC(=O)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000343934650 444679568 /nfs/dbraw/zinc/67/95/68/444679568.db2.gz HYTQIDPDVZTIRF-VQIMIIECSA-N 2 1 334.460 1.801 20 0 EDADMP COC(=O)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000343934650 444679571 /nfs/dbraw/zinc/67/95/71/444679571.db2.gz HYTQIDPDVZTIRF-VQIMIIECSA-N 2 1 334.460 1.801 20 0 EDADMP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCSCC1 ZINC000341113186 444680168 /nfs/dbraw/zinc/68/01/68/444680168.db2.gz AUYLWYQECWUGFI-LSDHHAIUSA-N 2 1 326.510 1.303 20 0 EDADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCSCC1 ZINC000341113186 444680172 /nfs/dbraw/zinc/68/01/72/444680172.db2.gz AUYLWYQECWUGFI-LSDHHAIUSA-N 2 1 326.510 1.303 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000341159687 444702998 /nfs/dbraw/zinc/70/29/98/444702998.db2.gz JGKPGDAGVDJCTP-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000341159687 444703003 /nfs/dbraw/zinc/70/30/03/444703003.db2.gz JGKPGDAGVDJCTP-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000341159687 444703006 /nfs/dbraw/zinc/70/30/06/444703006.db2.gz JGKPGDAGVDJCTP-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C[C@H]1C ZINC000344004466 444721762 /nfs/dbraw/zinc/72/17/62/444721762.db2.gz ZOPZBXJKCBINBS-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C[C@H]1C ZINC000344004466 444721766 /nfs/dbraw/zinc/72/17/66/444721766.db2.gz ZOPZBXJKCBINBS-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)C1 ZINC000344008459 444724167 /nfs/dbraw/zinc/72/41/67/444724167.db2.gz JNJQBPAQNCAIIT-CVEARBPZSA-N 2 1 343.537 1.383 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000333943792 444724863 /nfs/dbraw/zinc/72/48/63/444724863.db2.gz RJKKWYJPLOCZLR-SOLBZPMBSA-N 2 1 345.491 1.858 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)[N@H+]1CCC[C@@H](C)C1 ZINC000333943792 444724865 /nfs/dbraw/zinc/72/48/65/444724865.db2.gz RJKKWYJPLOCZLR-SOLBZPMBSA-N 2 1 345.491 1.858 20 0 EDADMP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344013592 444728090 /nfs/dbraw/zinc/72/80/90/444728090.db2.gz CMDSDEGUOZSSOU-KSZLIROESA-N 2 1 340.556 1.980 20 0 EDADMP COCC1(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC[NH2+]CC1 ZINC000333680607 444689510 /nfs/dbraw/zinc/68/95/10/444689510.db2.gz ORCWVMOJTIIRNU-GOSISDBHSA-N 2 1 338.496 1.130 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000341136832 444692312 /nfs/dbraw/zinc/69/23/12/444692312.db2.gz XDDHGKRXSXLBIZ-HNNXBMFYSA-N 2 1 328.526 1.409 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000341136832 444692317 /nfs/dbraw/zinc/69/23/17/444692317.db2.gz XDDHGKRXSXLBIZ-HNNXBMFYSA-N 2 1 328.526 1.409 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@H+](C3CCOCC3)C[C@@H]1C)C2 ZINC000329721736 444692445 /nfs/dbraw/zinc/69/24/45/444692445.db2.gz NDZTXFWBROWVSA-HOCLYGCPSA-N 2 1 346.475 1.466 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@@H+](C3CCOCC3)C[C@@H]1C)C2 ZINC000329721736 444692450 /nfs/dbraw/zinc/69/24/50/444692450.db2.gz NDZTXFWBROWVSA-HOCLYGCPSA-N 2 1 346.475 1.466 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(I)c2)C1 ZINC000341269511 444754695 /nfs/dbraw/zinc/75/46/95/444754695.db2.gz JJUXDMXLMUISSN-ZDUSSCGKSA-N 2 1 346.212 1.447 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(I)c2)C1 ZINC000341269511 444754699 /nfs/dbraw/zinc/75/46/99/444754699.db2.gz JJUXDMXLMUISSN-ZDUSSCGKSA-N 2 1 346.212 1.447 20 0 EDADMP CN(C)c1nccc(N2C[C@@H](F)C[C@@H]2C[NH2+]C2CC[NH+](C)CC2)n1 ZINC000341393043 444809014 /nfs/dbraw/zinc/80/90/14/444809014.db2.gz YULCFMBVQWIVRY-DZGCQCFKSA-N 2 1 336.459 1.143 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000342692399 444817593 /nfs/dbraw/zinc/81/75/93/444817593.db2.gz CYLNTGUNPDWQOO-HNNXBMFYSA-N 2 1 341.402 1.488 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[C@H]([NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000341469117 444847570 /nfs/dbraw/zinc/84/75/70/444847570.db2.gz XBKQIMGGCQQMSK-XWTMOSNGSA-N 2 1 325.497 1.017 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000342814437 444876746 /nfs/dbraw/zinc/87/67/46/444876746.db2.gz XITWLWYPDRELRN-LJQANCHMSA-N 2 1 345.487 1.530 20 0 EDADMP CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000341636247 444928391 /nfs/dbraw/zinc/92/83/91/444928391.db2.gz LBBVNCMOCJMZLB-GDBMZVCRSA-N 2 1 340.512 1.022 20 0 EDADMP [NH3+]CC1(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC000344443422 444975429 /nfs/dbraw/zinc/97/54/29/444975429.db2.gz CDNGZHQNSDDHRR-UHFFFAOYSA-N 2 1 331.460 1.307 20 0 EDADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)NC(=O)NCC(F)(F)F ZINC000337226926 444994585 /nfs/dbraw/zinc/99/45/85/444994585.db2.gz PTZUUZWAORDKDJ-UHFFFAOYSA-N 2 1 338.374 1.182 20 0 EDADMP C[C@@H](CNC(=O)NCCC[NH+]1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000337367585 445050729 /nfs/dbraw/zinc/05/07/29/445050729.db2.gz MWJIWIKLUIXQJG-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H](CNC(=O)NCCC[NH+]1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000337367585 445050732 /nfs/dbraw/zinc/05/07/32/445050732.db2.gz MWJIWIKLUIXQJG-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[NH+]1CCC(C)CC1 ZINC000343092611 445057557 /nfs/dbraw/zinc/05/75/57/445057557.db2.gz CXFXADJJPBOIJA-QZTJIDSGSA-N 2 1 336.524 1.249 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000341903213 445062727 /nfs/dbraw/zinc/06/27/27/445062727.db2.gz TYAUUCCWBZDWBK-RBSFLKMASA-N 2 1 336.480 1.559 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000337343804 445040505 /nfs/dbraw/zinc/04/05/05/445040505.db2.gz YASYHXPQKKXLTB-IYBDPMFKSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000337343804 445040509 /nfs/dbraw/zinc/04/05/09/445040509.db2.gz YASYHXPQKKXLTB-IYBDPMFKSA-N 2 1 325.497 1.676 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCSC1 ZINC000343199964 445130768 /nfs/dbraw/zinc/13/07/68/445130768.db2.gz LCKZSDXCHRPQIT-QGZVFWFLSA-N 2 1 348.516 1.600 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(CCCN3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC000339395949 445135813 /nfs/dbraw/zinc/13/58/13/445135813.db2.gz VCDNPOAWJBULHT-MOPGFXCFSA-N 2 1 338.540 1.198 20 0 EDADMP CC[N@@H+]1CC[C@@H]2OCCN(CCC[NH+]3CCN(C(C)C)CC3)[C@@H]2C1 ZINC000339395949 445135820 /nfs/dbraw/zinc/13/58/20/445135820.db2.gz VCDNPOAWJBULHT-MOPGFXCFSA-N 2 1 338.540 1.198 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(CCC[NH+]3CCN(C(C)C)CC3)[C@@H]2C1 ZINC000339395949 445135825 /nfs/dbraw/zinc/13/58/25/445135825.db2.gz VCDNPOAWJBULHT-MOPGFXCFSA-N 2 1 338.540 1.198 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COC1CCCC1 ZINC000337568221 445141836 /nfs/dbraw/zinc/14/18/36/445141836.db2.gz BBWFLXJSQHYYHY-MRXNPFEDSA-N 2 1 325.497 1.820 20 0 EDADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3ccc4c(c3)OCO4)C2)C1 ZINC000339435234 445140772 /nfs/dbraw/zinc/14/07/72/445140772.db2.gz AZANSRKBBKOGGM-HNAYVOBHSA-N 2 1 348.443 1.573 20 0 EDADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3ccc4c(c3)OCO4)C2)C1 ZINC000339435234 445140777 /nfs/dbraw/zinc/14/07/77/445140777.db2.gz AZANSRKBBKOGGM-HNAYVOBHSA-N 2 1 348.443 1.573 20 0 EDADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc4c(c3)OCO4)C2)C1 ZINC000339435234 445140781 /nfs/dbraw/zinc/14/07/81/445140781.db2.gz AZANSRKBBKOGGM-HNAYVOBHSA-N 2 1 348.443 1.573 20 0 EDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc4c(c3)OCO4)C2)C1 ZINC000339435234 445140784 /nfs/dbraw/zinc/14/07/84/445140784.db2.gz AZANSRKBBKOGGM-HNAYVOBHSA-N 2 1 348.443 1.573 20 0 EDADMP CCn1nccc1[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000343390677 445214613 /nfs/dbraw/zinc/21/46/13/445214613.db2.gz BWORILBBAMGQFS-YJBOKZPZSA-N 2 1 336.480 1.681 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343400943 445216203 /nfs/dbraw/zinc/21/62/03/445216203.db2.gz KXOWNLCANFCAGA-QYZOEREBSA-N 2 1 348.535 1.489 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343400943 445216205 /nfs/dbraw/zinc/21/62/05/445216205.db2.gz KXOWNLCANFCAGA-QYZOEREBSA-N 2 1 348.535 1.489 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343400943 445216207 /nfs/dbraw/zinc/21/62/07/445216207.db2.gz KXOWNLCANFCAGA-QYZOEREBSA-N 2 1 348.535 1.489 20 0 EDADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000337671892 445195355 /nfs/dbraw/zinc/19/53/55/445195355.db2.gz DKZNASLBTLMXAE-SJORKVTESA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@@H](C)C1 ZINC000337671892 445195357 /nfs/dbraw/zinc/19/53/57/445195357.db2.gz DKZNASLBTLMXAE-SJORKVTESA-N 2 1 345.487 1.865 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)[NH+](C)C1 ZINC000346697220 445223652 /nfs/dbraw/zinc/22/36/52/445223652.db2.gz BESJBTQAYWRLMP-CGTJXYLNSA-N 2 1 333.476 1.684 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)[NH+](C)C1 ZINC000346697220 445223654 /nfs/dbraw/zinc/22/36/54/445223654.db2.gz BESJBTQAYWRLMP-CGTJXYLNSA-N 2 1 333.476 1.684 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H](C)[NH+](C)Cc2ccccc2)[N@H+](C)C1 ZINC000346697220 445223656 /nfs/dbraw/zinc/22/36/56/445223656.db2.gz BESJBTQAYWRLMP-CGTJXYLNSA-N 2 1 333.476 1.684 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H](C)[NH+](C)Cc2ccccc2)[N@@H+](C)C1 ZINC000346697220 445223658 /nfs/dbraw/zinc/22/36/58/445223658.db2.gz BESJBTQAYWRLMP-CGTJXYLNSA-N 2 1 333.476 1.684 20 0 EDADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000343517956 445237363 /nfs/dbraw/zinc/23/73/63/445237363.db2.gz XNUAPXUHOZEFMT-CJNGLKHVSA-N 2 1 349.450 1.999 20 0 EDADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000343517956 445237364 /nfs/dbraw/zinc/23/73/64/445237364.db2.gz XNUAPXUHOZEFMT-CJNGLKHVSA-N 2 1 349.450 1.999 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@@H+](C)C1 ZINC000347542815 445242119 /nfs/dbraw/zinc/24/21/19/445242119.db2.gz MOXHEDWQMCYZBH-RRFJBIMHSA-N 2 1 328.501 1.323 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H]2CCO[C@@H]2c2ccnn2C)CCCO1 ZINC000343551614 445242658 /nfs/dbraw/zinc/24/26/58/445242658.db2.gz KDTDVUNZNNWUEL-RYRKJORJSA-N 2 1 336.480 1.588 20 0 EDADMP CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)[NH+](C)C ZINC000347924831 445256292 /nfs/dbraw/zinc/25/62/92/445256292.db2.gz KAAGGGRQDLOTKT-UAGQMJEPSA-N 2 1 335.496 1.650 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@H+](C)CCn2cccn2)cc[nH+]1 ZINC000348162101 445295912 /nfs/dbraw/zinc/29/59/12/445295912.db2.gz YPEVAQRWCFODHC-LSDHHAIUSA-N 2 1 347.442 1.288 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@@H+](C)CCn2cccn2)cc[nH+]1 ZINC000348162101 445295914 /nfs/dbraw/zinc/29/59/14/445295914.db2.gz YPEVAQRWCFODHC-LSDHHAIUSA-N 2 1 347.442 1.288 20 0 EDADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000351860935 445345787 /nfs/dbraw/zinc/34/57/87/445345787.db2.gz JPEPOVVEGWIIQB-DLBZAZTESA-N 2 1 333.476 1.810 20 0 EDADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000351860935 445345789 /nfs/dbraw/zinc/34/57/89/445345789.db2.gz JPEPOVVEGWIIQB-DLBZAZTESA-N 2 1 333.476 1.810 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000362420906 445373054 /nfs/dbraw/zinc/37/30/54/445373054.db2.gz PNPIJBLJFXXJCF-AWEZNQCLSA-N 2 1 336.484 1.263 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000362420906 445373060 /nfs/dbraw/zinc/37/30/60/445373060.db2.gz PNPIJBLJFXXJCF-AWEZNQCLSA-N 2 1 336.484 1.263 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000351967088 445405513 /nfs/dbraw/zinc/40/55/13/445405513.db2.gz HYVYKZCAEQXCGE-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349002958 445472515 /nfs/dbraw/zinc/47/25/15/445472515.db2.gz PWFLXXIASRKMQW-IGOJGBNBSA-N 2 1 345.487 1.638 20 0 EDADMP CC[NH+](CC)CC1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000362564103 445441053 /nfs/dbraw/zinc/44/10/53/445441053.db2.gz HKKKJFGTRRJEPQ-OAHLLOKOSA-N 2 1 333.480 1.681 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362566022 445443088 /nfs/dbraw/zinc/44/30/88/445443088.db2.gz DVYCIXVZAIXHNT-GJZGRUSLSA-N 2 1 331.464 1.291 20 0 EDADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000362566022 445443092 /nfs/dbraw/zinc/44/30/92/445443092.db2.gz DVYCIXVZAIXHNT-GJZGRUSLSA-N 2 1 331.464 1.291 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000362566022 445443094 /nfs/dbraw/zinc/44/30/94/445443094.db2.gz DVYCIXVZAIXHNT-GJZGRUSLSA-N 2 1 331.464 1.291 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000355406568 445458225 /nfs/dbraw/zinc/45/82/25/445458225.db2.gz DQUJVXXFFKZSFQ-KSZLIROESA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000355406568 445458229 /nfs/dbraw/zinc/45/82/29/445458229.db2.gz DQUJVXXFFKZSFQ-KSZLIROESA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000355406568 445458232 /nfs/dbraw/zinc/45/82/32/445458232.db2.gz DQUJVXXFFKZSFQ-KSZLIROESA-N 2 1 336.524 1.488 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000359996304 445520478 /nfs/dbraw/zinc/52/04/78/445520478.db2.gz WDGBMAXIGXLNQZ-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000359996304 445520482 /nfs/dbraw/zinc/52/04/82/445520482.db2.gz WDGBMAXIGXLNQZ-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359996304 445520484 /nfs/dbraw/zinc/52/04/84/445520484.db2.gz WDGBMAXIGXLNQZ-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP Cn1nccc1[C@@H]1OCC[C@@H]1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349301382 445559874 /nfs/dbraw/zinc/55/98/74/445559874.db2.gz USXFTJXRMQYAPG-SJLPKXTDSA-N 2 1 335.496 1.067 20 0 EDADMP C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000357557474 445566116 /nfs/dbraw/zinc/56/61/16/445566116.db2.gz ACTGJHUMSGESAL-CQSZACIVSA-N 2 1 325.478 1.463 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000357557474 445566118 /nfs/dbraw/zinc/56/61/18/445566118.db2.gz ACTGJHUMSGESAL-CQSZACIVSA-N 2 1 325.478 1.463 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357575401 445568250 /nfs/dbraw/zinc/56/82/50/445568250.db2.gz WQLFZFQBSQMMCS-VQHPVUNQSA-N 2 1 325.497 1.673 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC ZINC000362831171 445571511 /nfs/dbraw/zinc/57/15/11/445571511.db2.gz OUODNFOFIGHXGR-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000356038616 445583643 /nfs/dbraw/zinc/58/36/43/445583643.db2.gz MQJNBTBRYYCXSK-HOCLYGCPSA-N 2 1 332.448 1.472 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000356038616 445583647 /nfs/dbraw/zinc/58/36/47/445583647.db2.gz MQJNBTBRYYCXSK-HOCLYGCPSA-N 2 1 332.448 1.472 20 0 EDADMP CC[NH+](CC)CCNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000355957757 445544773 /nfs/dbraw/zinc/54/47/73/445544773.db2.gz LWWWNQBHHARDMA-LJQANCHMSA-N 2 1 348.491 1.264 20 0 EDADMP C[C@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000357315510 445545036 /nfs/dbraw/zinc/54/50/36/445545036.db2.gz RXGZJOVOFXVPQI-QILLFSRXSA-N 2 1 334.464 1.044 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000358134388 445606692 /nfs/dbraw/zinc/60/66/92/445606692.db2.gz JBENENXEPDWKJU-PVAVHDDUSA-N 2 1 340.512 1.392 20 0 EDADMP CC[NH+]1CCN(CC(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000360183369 445616637 /nfs/dbraw/zinc/61/66/37/445616637.db2.gz KNWGGTAXZGLXNW-UHFFFAOYSA-N 2 1 332.492 1.262 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000356102956 445622828 /nfs/dbraw/zinc/62/28/28/445622828.db2.gz XTGSZSAEWBANAJ-UHFFFAOYSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000358537134 445640749 /nfs/dbraw/zinc/64/07/49/445640749.db2.gz ZHAHMRGGLSRPEX-NVXWUHKLSA-N 2 1 333.480 1.495 20 0 EDADMP CCc1nn(C)cc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000356053060 445592523 /nfs/dbraw/zinc/59/25/23/445592523.db2.gz WGPGCIXTCQJESB-OAHLLOKOSA-N 2 1 335.496 1.471 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)C[NH+]1CCOCC1 ZINC000349687117 445645253 /nfs/dbraw/zinc/64/52/53/445645253.db2.gz YQPPGUXQHDVOPT-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP COCC[NH+]1CCC(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000360245072 445653214 /nfs/dbraw/zinc/65/32/14/445653214.db2.gz KFKFNXWUDOVNJC-HXUWFJFHSA-N 2 1 347.503 1.324 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000353581030 445665609 /nfs/dbraw/zinc/66/56/09/445665609.db2.gz WEGRBBBXIZLOMQ-DOTOQJQBSA-N 2 1 333.480 1.083 20 0 EDADMP C[N@@H+](CCNC(=O)NCCNc1cc[nH+]cc1)Cc1ccccc1 ZINC000356177465 445663021 /nfs/dbraw/zinc/66/30/21/445663021.db2.gz BJVIBISKMFRERR-UHFFFAOYSA-N 2 1 327.432 1.347 20 0 EDADMP CCC[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000358608294 445673172 /nfs/dbraw/zinc/67/31/72/445673172.db2.gz ARHHZPKEZPXPMU-INIZCTEOSA-N 2 1 332.448 1.417 20 0 EDADMP CCC[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000358608294 445673175 /nfs/dbraw/zinc/67/31/75/445673175.db2.gz ARHHZPKEZPXPMU-INIZCTEOSA-N 2 1 332.448 1.417 20 0 EDADMP CCC[NH+](C)CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000358608294 445673179 /nfs/dbraw/zinc/67/31/79/445673179.db2.gz ARHHZPKEZPXPMU-INIZCTEOSA-N 2 1 332.448 1.417 20 0 EDADMP CCC[NH+](C)CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000358608294 445673182 /nfs/dbraw/zinc/67/31/82/445673182.db2.gz ARHHZPKEZPXPMU-INIZCTEOSA-N 2 1 332.448 1.417 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000358623250 445681515 /nfs/dbraw/zinc/68/15/15/445681515.db2.gz CINOGGAQKXFRSL-UHFFFAOYSA-N 2 1 338.540 1.642 20 0 EDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)[C@H]1C ZINC000358653118 445695308 /nfs/dbraw/zinc/69/53/08/445695308.db2.gz GIXJNRVXGOLARV-ULQDDVLXSA-N 2 1 325.497 1.581 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000363150176 445697516 /nfs/dbraw/zinc/69/75/16/445697516.db2.gz MPRQFZRDFQWKFX-IKGGRYGDSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000363150176 445697518 /nfs/dbraw/zinc/69/75/18/445697518.db2.gz MPRQFZRDFQWKFX-IKGGRYGDSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H]1CCCN(c2cc(N3CCC([N@@H+](C)CCO)CC3)ncn2)C1 ZINC000349870793 445704958 /nfs/dbraw/zinc/70/49/58/445704958.db2.gz WWOBVDKOHKISRN-HNNXBMFYSA-N 2 1 333.480 1.606 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000361347707 445761744 /nfs/dbraw/zinc/76/17/44/445761744.db2.gz XZCRAAIHNOKJMK-INIZCTEOSA-N 2 1 333.480 1.330 20 0 EDADMP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)nc2)CC1 ZINC000363316655 445764095 /nfs/dbraw/zinc/76/40/95/445764095.db2.gz NTJVYSXWWHFIKG-JKSUJKDBSA-N 2 1 343.475 1.646 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000363379260 445781819 /nfs/dbraw/zinc/78/18/19/445781819.db2.gz NLCIROGOLKMIDK-KRWDZBQOSA-N 2 1 341.459 2.048 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000363379260 445781822 /nfs/dbraw/zinc/78/18/22/445781822.db2.gz NLCIROGOLKMIDK-KRWDZBQOSA-N 2 1 341.459 2.048 20 0 EDADMP C[C@H](C(=O)NCc1ccncc1OCC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000356459289 445801487 /nfs/dbraw/zinc/80/14/87/445801487.db2.gz OARQOGFFROTOLH-OWCLPIDISA-N 2 1 348.491 1.900 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC000350283912 445805910 /nfs/dbraw/zinc/80/59/10/445805910.db2.gz ATDLDJNEUFSIHA-NVXWUHKLSA-N 2 1 325.497 1.866 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000350670538 445877617 /nfs/dbraw/zinc/87/76/17/445877617.db2.gz RWFSQGGPKJYFMU-QGZVFWFLSA-N 2 1 347.503 1.858 20 0 EDADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C2)c1 ZINC000365986528 445943904 /nfs/dbraw/zinc/94/39/04/445943904.db2.gz YSBKXDLDHACLIL-LSDHHAIUSA-N 2 1 325.478 1.805 20 0 EDADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@H](C)CS(C)(=O)=O)C2)c1 ZINC000365986528 445943908 /nfs/dbraw/zinc/94/39/08/445943908.db2.gz YSBKXDLDHACLIL-LSDHHAIUSA-N 2 1 325.478 1.805 20 0 EDADMP Cn1cc([C@H]2[C@H](CNC(=O)CC3CC[NH+](C)CC3)CCC[N@H+]2C)cn1 ZINC000365971730 445935018 /nfs/dbraw/zinc/93/50/18/445935018.db2.gz JGMYNMDMTZAZIE-QFBILLFUSA-N 2 1 347.507 1.651 20 0 EDADMP Cn1cc([C@@H]2[C@@H](CNC(=O)CC3CC[NH+](C)CC3)CCC[N@H+]2C)cn1 ZINC000365971722 445935605 /nfs/dbraw/zinc/93/56/05/445935605.db2.gz JGMYNMDMTZAZIE-APWZRJJASA-N 2 1 347.507 1.651 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000364641210 445939969 /nfs/dbraw/zinc/93/99/69/445939969.db2.gz LPRBZFPBZYTUBR-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000359028392 445897060 /nfs/dbraw/zinc/89/70/60/445897060.db2.gz AXOGKDMEPFGPPS-HZPDHXFCSA-N 2 1 328.501 1.515 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000359028392 445897062 /nfs/dbraw/zinc/89/70/62/445897062.db2.gz AXOGKDMEPFGPPS-HZPDHXFCSA-N 2 1 328.501 1.515 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000359028392 445897064 /nfs/dbraw/zinc/89/70/64/445897064.db2.gz AXOGKDMEPFGPPS-HZPDHXFCSA-N 2 1 328.501 1.515 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000361790724 445948082 /nfs/dbraw/zinc/94/80/82/445948082.db2.gz VZYPHNIWGIRTMB-HZPDHXFCSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000361888787 446043674 /nfs/dbraw/zinc/04/36/74/446043674.db2.gz RFJRCBLXYAOVRG-MTFMMBMASA-N 2 1 331.504 1.799 20 0 EDADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000361888787 446043679 /nfs/dbraw/zinc/04/36/79/446043679.db2.gz RFJRCBLXYAOVRG-MTFMMBMASA-N 2 1 331.504 1.799 20 0 EDADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000361888787 446043684 /nfs/dbraw/zinc/04/36/84/446043684.db2.gz RFJRCBLXYAOVRG-MTFMMBMASA-N 2 1 331.504 1.799 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@H](C)O1 ZINC000373076329 446010143 /nfs/dbraw/zinc/01/01/43/446010143.db2.gz MLMYVHAAWPOCPN-GASCZTMLSA-N 2 1 325.497 1.722 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000583386372 326063723 /nfs/dbraw/zinc/06/37/23/326063723.db2.gz UDPYTIFCOZLIPD-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@@H](C1CC1)[NH+](C)C)n2C ZINC000583906387 326162380 /nfs/dbraw/zinc/16/23/80/326162380.db2.gz GZFWNSNEUMNFEO-AWEZNQCLSA-N 2 1 330.436 1.104 20 0 EDADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000584221520 326221888 /nfs/dbraw/zinc/22/18/88/326221888.db2.gz PYVKSIXYYUNKLI-NUJGCVRESA-N 2 1 336.480 1.025 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H](C)C[NH+](C)C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584236496 326226587 /nfs/dbraw/zinc/22/65/87/326226587.db2.gz KCJFJJWXSCGJSG-MWDXBVQZSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H](C)C[NH+](C)C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584236496 326226589 /nfs/dbraw/zinc/22/65/89/326226589.db2.gz KCJFJJWXSCGJSG-MWDXBVQZSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584236496 326226590 /nfs/dbraw/zinc/22/65/90/326226590.db2.gz KCJFJJWXSCGJSG-MWDXBVQZSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584236496 326226591 /nfs/dbraw/zinc/22/65/91/326226591.db2.gz KCJFJJWXSCGJSG-MWDXBVQZSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH+](C)C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584236497 326226760 /nfs/dbraw/zinc/22/67/60/326226760.db2.gz KCJFJJWXSCGJSG-NXOAAHMSSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH+](C)C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584236497 326226761 /nfs/dbraw/zinc/22/67/61/326226761.db2.gz KCJFJJWXSCGJSG-NXOAAHMSSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584236497 326226765 /nfs/dbraw/zinc/22/67/65/326226765.db2.gz KCJFJJWXSCGJSG-NXOAAHMSSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584236497 326226769 /nfs/dbraw/zinc/22/67/69/326226769.db2.gz KCJFJJWXSCGJSG-NXOAAHMSSA-N 2 1 327.513 1.965 20 0 EDADMP O=C(Nc1c[nH+]ccc1-n1ccnc1)c1cnc2c(c1)NC(=O)CO2 ZINC000373163884 446067856 /nfs/dbraw/zinc/06/78/56/446067856.db2.gz CJXMACJWEVDBHK-UHFFFAOYSA-N 2 1 336.311 1.246 20 0 EDADMP CC[NH+](CC)CCC[NH+]1CCC(CC(=O)N2CCOCC2)CC1 ZINC000365189271 446071626 /nfs/dbraw/zinc/07/16/26/446071626.db2.gz KEDZYOWIOMGKEV-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351477143 446077007 /nfs/dbraw/zinc/07/70/07/446077007.db2.gz MKFDHIHWLGBSSS-UHOSZYNNSA-N 2 1 345.487 1.899 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351477143 446077014 /nfs/dbraw/zinc/07/70/14/446077014.db2.gz MKFDHIHWLGBSSS-UHOSZYNNSA-N 2 1 345.487 1.899 20 0 EDADMP COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000351475216 446077262 /nfs/dbraw/zinc/07/72/62/446077262.db2.gz HYBCUJCGMKCMLM-VIRABCJISA-N 2 1 333.432 1.700 20 0 EDADMP COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000351475216 446077269 /nfs/dbraw/zinc/07/72/69/446077269.db2.gz HYBCUJCGMKCMLM-VIRABCJISA-N 2 1 333.432 1.700 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000359270960 446108063 /nfs/dbraw/zinc/10/80/63/446108063.db2.gz KZHDJJIPRKVWOY-HNNXBMFYSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000359288669 446123409 /nfs/dbraw/zinc/12/34/09/446123409.db2.gz MPVVOOSLMWWFAB-HNNXBMFYSA-N 2 1 340.512 1.166 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000359361153 446173906 /nfs/dbraw/zinc/17/39/06/446173906.db2.gz BNHVWCPMWPEPQM-WMZOPIPTSA-N 2 1 330.476 1.695 20 0 EDADMP c1cc(N[C@@H]2CCCOC2)nc(NC2CC[NH+]([C@H]3CCOC3)CC2)[nH+]1 ZINC000370238588 446194874 /nfs/dbraw/zinc/19/48/74/446194874.db2.gz MFLNQLNLRIIUBF-CVEARBPZSA-N 2 1 347.463 1.733 20 0 EDADMP C[NH+](C)[C@]1(C(=O)NCC[C@H]2CCC[NH2+]C2)CCOc2ccccc21 ZINC000370265175 446202116 /nfs/dbraw/zinc/20/21/16/446202116.db2.gz FZOMCKKDGBVDBX-DNVCBOLYSA-N 2 1 331.460 1.732 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000365548770 446250378 /nfs/dbraw/zinc/25/03/78/446250378.db2.gz DIQGSGMKGWCXLD-HNNXBMFYSA-N 2 1 344.463 1.114 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000365553428 446251825 /nfs/dbraw/zinc/25/18/25/446251825.db2.gz BFAPVNPEGORWIC-XHSDSOJGSA-N 2 1 338.496 1.269 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365553428 446251830 /nfs/dbraw/zinc/25/18/30/446251830.db2.gz BFAPVNPEGORWIC-XHSDSOJGSA-N 2 1 338.496 1.269 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000365553428 446251831 /nfs/dbraw/zinc/25/18/31/446251831.db2.gz BFAPVNPEGORWIC-XHSDSOJGSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCCCC1 ZINC000359500078 446260872 /nfs/dbraw/zinc/26/08/72/446260872.db2.gz ADYDSIKNUMSIFY-IXDOHACOSA-N 2 1 325.497 1.410 20 0 EDADMP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000365676773 446296992 /nfs/dbraw/zinc/29/69/92/446296992.db2.gz YPDVYFHZQGNEPM-MRXNPFEDSA-N 2 1 342.443 1.925 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000365716591 446312845 /nfs/dbraw/zinc/31/28/45/446312845.db2.gz DGRHJFPQJINUFE-ULQDDVLXSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000417337829 446347230 /nfs/dbraw/zinc/34/72/30/446347230.db2.gz JFRHKBZNLMMQFF-ZOBUZTSGSA-N 2 1 330.476 1.812 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000365721126 446314705 /nfs/dbraw/zinc/31/47/05/446314705.db2.gz YQTOIIQULCEEJN-GOSISDBHSA-N 2 1 331.460 1.488 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000365721126 446314708 /nfs/dbraw/zinc/31/47/08/446314708.db2.gz YQTOIIQULCEEJN-GOSISDBHSA-N 2 1 331.460 1.488 20 0 EDADMP OC[C@H]1CCC[N@H+]1C[C@@H]1CCCN1CC1CCC2(CC1)OCCO2 ZINC000373812191 446334917 /nfs/dbraw/zinc/33/49/17/446334917.db2.gz KKRLZWGNQNWUIC-ZWKOTPCHSA-N 2 1 338.492 1.841 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000370601991 446352487 /nfs/dbraw/zinc/35/24/87/446352487.db2.gz CINIWQDOXWQUFU-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP Cn1ccc(N2CCC[C@H]([N@H+]3CCCC4(CC[NH+](C)CC4)C3)C2=O)n1 ZINC000374170068 446355850 /nfs/dbraw/zinc/35/58/50/446355850.db2.gz AHRSYGBGAJUOAF-INIZCTEOSA-N 2 1 345.491 1.723 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417544438 446363930 /nfs/dbraw/zinc/36/39/30/446363930.db2.gz MTXXWVXDYZBBSW-FUHWJXTLSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@@H+]1C ZINC000366818563 446367629 /nfs/dbraw/zinc/36/76/29/446367629.db2.gz FESQZEKBWUGNMA-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@H+]1C ZINC000366818563 446367632 /nfs/dbraw/zinc/36/76/32/446367632.db2.gz FESQZEKBWUGNMA-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417898845 446379630 /nfs/dbraw/zinc/37/96/30/446379630.db2.gz RRTZKQGIXVTDCP-IRXDYDNUSA-N 2 1 348.491 1.703 20 0 EDADMP CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417898845 446379632 /nfs/dbraw/zinc/37/96/32/446379632.db2.gz RRTZKQGIXVTDCP-IRXDYDNUSA-N 2 1 348.491 1.703 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000417899276 446380552 /nfs/dbraw/zinc/38/05/52/446380552.db2.gz YMKOLTQTWGXDSO-FUHWJXTLSA-N 2 1 336.524 1.995 20 0 EDADMP CC[C@H](NC(=O)N[C@H](C)CC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417902409 446381054 /nfs/dbraw/zinc/38/10/54/446381054.db2.gz XOJCKDBQTMBQRW-NJAFHUGGSA-N 2 1 348.491 1.703 20 0 EDADMP CC[C@H](NC(=O)N[C@H](C)CC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417902409 446381058 /nfs/dbraw/zinc/38/10/58/446381058.db2.gz XOJCKDBQTMBQRW-NJAFHUGGSA-N 2 1 348.491 1.703 20 0 EDADMP CO[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)[C@@H](C[NH3+])C1 ZINC000417915260 446384831 /nfs/dbraw/zinc/38/48/31/446384831.db2.gz UEBOTNMUHXIHHB-BRWVUGGUSA-N 2 1 340.512 1.502 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000370771258 446430026 /nfs/dbraw/zinc/43/00/26/446430026.db2.gz GPRZHJKAWBURKR-VNBWJKKMSA-N 2 1 349.519 1.913 20 0 EDADMP [NH3+][C@@H](CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000418071783 446431620 /nfs/dbraw/zinc/43/16/20/446431620.db2.gz JHRMYJUNVLAGQV-MSOLQXFVSA-N 2 1 346.475 1.314 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@H](C[NH2+]C)C1)CCC(F)(F)F ZINC000418073867 446432768 /nfs/dbraw/zinc/43/27/68/446432768.db2.gz DVHZNMGCGFKWLB-CYBMUJFWSA-N 2 1 338.418 1.902 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)N[C@@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000417985277 446407920 /nfs/dbraw/zinc/40/79/20/446407920.db2.gz HAWHVVNFWDFQTK-ZLIFDBKOSA-N 2 1 332.448 1.619 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000417997824 446411374 /nfs/dbraw/zinc/41/13/74/446411374.db2.gz GKMKDNPFKQFCLW-XIRDDKMYSA-N 2 1 346.475 1.834 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000417997824 446411379 /nfs/dbraw/zinc/41/13/79/446411379.db2.gz GKMKDNPFKQFCLW-XIRDDKMYSA-N 2 1 346.475 1.834 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418004069 446412121 /nfs/dbraw/zinc/41/21/21/446412121.db2.gz ZLUYELBBQLQDAN-KRWDZBQOSA-N 2 1 348.491 1.570 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000418029879 446419672 /nfs/dbraw/zinc/41/96/72/446419672.db2.gz IVFOSMLTMORRAH-OKZBNKHCSA-N 2 1 348.491 1.023 20 0 EDADMP C[N@H+](C[C@@H](O)COc1ccc(F)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366950146 446423868 /nfs/dbraw/zinc/42/38/68/446423868.db2.gz CHBCCZHSYIGSIF-GOEBONIOSA-N 2 1 333.407 1.956 20 0 EDADMP C[N@@H+](C[C@@H](O)COc1ccc(F)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366950146 446423871 /nfs/dbraw/zinc/42/38/71/446423871.db2.gz CHBCCZHSYIGSIF-GOEBONIOSA-N 2 1 333.407 1.956 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(NCCC[C@H]2CCC[NH2+]2)n1 ZINC000420289534 446455097 /nfs/dbraw/zinc/45/50/97/446455097.db2.gz TWGVBRLOHNTSHQ-RYRKJORJSA-N 2 1 347.507 1.880 20 0 EDADMP CS(=O)(=O)N(CC[N@@H+]1CCCC[C@@H]1CC[NH3+])Cc1ccccc1 ZINC000420314302 446477587 /nfs/dbraw/zinc/47/75/87/446477587.db2.gz KQYRGTGRBQOVBG-QGZVFWFLSA-N 2 1 339.505 1.652 20 0 EDADMP CS(=O)(=O)N(CC[N@H+]1CCCC[C@@H]1CC[NH3+])Cc1ccccc1 ZINC000420314302 446477592 /nfs/dbraw/zinc/47/75/92/446477592.db2.gz KQYRGTGRBQOVBG-QGZVFWFLSA-N 2 1 339.505 1.652 20 0 EDADMP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322841 446489531 /nfs/dbraw/zinc/48/95/31/446489531.db2.gz FPAJGXZEXJQMQV-DOTOQJQBSA-N 2 1 343.471 1.652 20 0 EDADMP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322841 446489534 /nfs/dbraw/zinc/48/95/34/446489534.db2.gz FPAJGXZEXJQMQV-DOTOQJQBSA-N 2 1 343.471 1.652 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000423326053 446489748 /nfs/dbraw/zinc/48/97/48/446489748.db2.gz JDNARKMAVNYUIN-BBRMVZONSA-N 2 1 333.432 1.890 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000423326053 446489752 /nfs/dbraw/zinc/48/97/52/446489752.db2.gz JDNARKMAVNYUIN-BBRMVZONSA-N 2 1 333.432 1.890 20 0 EDADMP C[N@@H+](CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)Cc1ccccc1 ZINC000423362311 446501419 /nfs/dbraw/zinc/50/14/19/446501419.db2.gz XVBSZDDZWZVWOG-GOSISDBHSA-N 2 1 341.459 1.669 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418330246 446501613 /nfs/dbraw/zinc/50/16/13/446501613.db2.gz QDQOBEUHPVXCCV-KRWDZBQOSA-N 2 1 333.480 1.687 20 0 EDADMP CC[NH2+]CCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418332605 446503642 /nfs/dbraw/zinc/50/36/42/446503642.db2.gz ZQFLHSLONKAPBN-LJQANCHMSA-N 2 1 330.476 1.904 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420335709 446505907 /nfs/dbraw/zinc/50/59/07/446505907.db2.gz LXNZZAXVMAAOKA-OIISXLGYSA-N 2 1 344.459 1.332 20 0 EDADMP C[C@H](NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418342742 446508780 /nfs/dbraw/zinc/50/87/80/446508780.db2.gz NESPMRNSNJWLJG-WDSOQIARSA-N 2 1 344.503 1.943 20 0 EDADMP C[C@H](NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418342742 446508784 /nfs/dbraw/zinc/50/87/84/446508784.db2.gz NESPMRNSNJWLJG-WDSOQIARSA-N 2 1 344.503 1.943 20 0 EDADMP C[C@@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000420339445 446510214 /nfs/dbraw/zinc/51/02/14/446510214.db2.gz YZKWMMTYASJRCF-WBVHZDCISA-N 2 1 331.460 1.551 20 0 EDADMP C[C@@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000420339445 446510223 /nfs/dbraw/zinc/51/02/23/446510223.db2.gz YZKWMMTYASJRCF-WBVHZDCISA-N 2 1 331.460 1.551 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418352730 446510381 /nfs/dbraw/zinc/51/03/81/446510381.db2.gz UIGQUFJJRBCAIS-LJQANCHMSA-N 2 1 344.503 1.946 20 0 EDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCN(Cc1ccccc1)S(C)(=O)=O ZINC000420328411 446496709 /nfs/dbraw/zinc/49/67/09/446496709.db2.gz ZIRCTZSWIBZJPY-MRXNPFEDSA-N 2 1 327.494 1.411 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH2+]Cc2cccnc2)[C@H](C)C1 ZINC000418323991 446498554 /nfs/dbraw/zinc/49/85/54/446498554.db2.gz GKJZYMMMSQVYCG-SJLPKXTDSA-N 2 1 347.507 1.933 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420330244 446499276 /nfs/dbraw/zinc/49/92/76/446499276.db2.gz AOQYSEQNJLJTFZ-MSOLQXFVSA-N 2 1 345.487 1.812 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc2c(c1)OCO2 ZINC000420331470 446500642 /nfs/dbraw/zinc/50/06/42/446500642.db2.gz CAASRIGPOWKYLP-KGLIPLIRSA-N 2 1 331.416 1.675 20 0 EDADMP Cc1cccc2nc(C[N@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)cn21 ZINC000420382422 446558401 /nfs/dbraw/zinc/55/84/01/446558401.db2.gz AJMLLZYTIHJBDA-SJORKVTESA-N 2 1 326.444 1.843 20 0 EDADMP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344861 446516969 /nfs/dbraw/zinc/51/69/69/446516969.db2.gz UVUNNZHXCGROKJ-WBVHZDCISA-N 2 1 331.460 1.633 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418391578 446526436 /nfs/dbraw/zinc/52/64/36/446526436.db2.gz CCCBFGJTRKUPRU-YJBOKZPZSA-N 2 1 330.476 1.887 20 0 EDADMP CC(C)[C@@H](NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420350139 446527136 /nfs/dbraw/zinc/52/71/36/446527136.db2.gz RNDOPFONDDTUCD-AZUAARDMSA-N 2 1 344.503 1.479 20 0 EDADMP CC(C)[C@@H](NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420350139 446527141 /nfs/dbraw/zinc/52/71/41/446527141.db2.gz RNDOPFONDDTUCD-AZUAARDMSA-N 2 1 344.503 1.479 20 0 EDADMP C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420390891 446567075 /nfs/dbraw/zinc/56/70/75/446567075.db2.gz ZYJPBSIBKUIKRW-KGYLQXTDSA-N 2 1 337.386 1.272 20 0 EDADMP CC(C)([NH3+])CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418415194 446535327 /nfs/dbraw/zinc/53/53/27/446535327.db2.gz NEPJWYURJYLXEC-DLBZAZTESA-N 2 1 330.476 1.887 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)C2(C)C[NH2+]C2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000423436107 446536112 /nfs/dbraw/zinc/53/61/12/446536112.db2.gz ZHZSCFDIPWIWNW-MRXNPFEDSA-N 2 1 344.459 1.401 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@H](O)C[NH3+] ZINC000420359789 446539922 /nfs/dbraw/zinc/53/99/22/446539922.db2.gz WCVQAIVLSMSGFU-GFCCVEGCSA-N 2 1 330.226 1.029 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418426402 446540227 /nfs/dbraw/zinc/54/02/27/446540227.db2.gz LWLGGXLKWBRLIL-SQNIBIBYSA-N 2 1 348.491 1.294 20 0 EDADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423492559 446553348 /nfs/dbraw/zinc/55/33/48/446553348.db2.gz NQCADTRIKVVVCF-ROUUACIJSA-N 2 1 329.448 1.686 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000420377608 446554431 /nfs/dbraw/zinc/55/44/31/446554431.db2.gz PVGRYHIBZVOVMI-IEBWSBKVSA-N 2 1 344.503 1.308 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3C[C@@H](C)[NH2+]C[C@H]3C)CC2)c1 ZINC000420399326 446573882 /nfs/dbraw/zinc/57/38/82/446573882.db2.gz NWJIBGZZSGEAOL-QZTJIDSGSA-N 2 1 344.503 1.321 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N(C)CCOc2ccccc2F)C[C@H]1C[NH3+] ZINC000420406288 446580654 /nfs/dbraw/zinc/58/06/54/446580654.db2.gz NMGWKURHNGDSPN-LSDHHAIUSA-N 2 1 337.439 1.580 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCOc2ccccc2F)C[C@H]1C[NH3+] ZINC000420406288 446580660 /nfs/dbraw/zinc/58/06/60/446580660.db2.gz NMGWKURHNGDSPN-LSDHHAIUSA-N 2 1 337.439 1.580 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376636168 446619667 /nfs/dbraw/zinc/61/96/67/446619667.db2.gz FCIIBYVWPKSMAH-AEFFLSMTSA-N 2 1 345.487 1.916 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376636168 446619670 /nfs/dbraw/zinc/61/96/70/446619670.db2.gz FCIIBYVWPKSMAH-AEFFLSMTSA-N 2 1 345.487 1.916 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000418587662 446603579 /nfs/dbraw/zinc/60/35/79/446603579.db2.gz GYUSWPRIXSBZGE-SJLPKXTDSA-N 2 1 330.476 1.902 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418586626 446603776 /nfs/dbraw/zinc/60/37/76/446603776.db2.gz QKLIPLDZQHZCOK-BRWVUGGUSA-N 2 1 337.512 1.068 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)c1 ZINC000418592624 446606375 /nfs/dbraw/zinc/60/63/75/446606375.db2.gz LLDSVPMVTSYOMU-WMZOPIPTSA-N 2 1 330.476 1.820 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCCC2=CC[NH2+]CC2)C[C@@H]1CC ZINC000418596050 446608895 /nfs/dbraw/zinc/60/88/95/446608895.db2.gz BJFTYQKRLFAFLL-KRWDZBQOSA-N 2 1 338.496 1.439 20 0 EDADMP O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434351850 446637115 /nfs/dbraw/zinc/63/71/15/446637115.db2.gz LTKCMVDMYPXSPE-SJORKVTESA-N 2 1 338.496 1.149 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000376678099 446646214 /nfs/dbraw/zinc/64/62/14/446646214.db2.gz GWTAMDPAFFPBJD-BZSNNMDCSA-N 2 1 345.491 1.858 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000418736376 446660488 /nfs/dbraw/zinc/66/04/88/446660488.db2.gz URCFEOREEZDGLS-GOSISDBHSA-N 2 1 347.507 1.183 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000418744867 446667186 /nfs/dbraw/zinc/66/71/86/446667186.db2.gz UXBMKQNQMYZENE-ZDUSSCGKSA-N 2 1 342.390 1.925 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CCCOC3)CC2)CC1 ZINC000371093099 446625034 /nfs/dbraw/zinc/62/50/34/446625034.db2.gz ITELBZHDZPLIDK-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C[C@@H]1C ZINC000418646985 446630721 /nfs/dbraw/zinc/63/07/21/446630721.db2.gz XTACDDDAJAMOAS-MPGHIAIKSA-N 2 1 330.476 1.998 20 0 EDADMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000423825779 446713326 /nfs/dbraw/zinc/71/33/26/446713326.db2.gz LZEHIXYXLAUZBP-IEBWSBKVSA-N 2 1 347.459 1.325 20 0 EDADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000376805990 446731181 /nfs/dbraw/zinc/73/11/81/446731181.db2.gz GFUZDFWNHUJKQU-HNNXBMFYSA-N 2 1 346.475 1.898 20 0 EDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000376805990 446731187 /nfs/dbraw/zinc/73/11/87/446731187.db2.gz GFUZDFWNHUJKQU-HNNXBMFYSA-N 2 1 346.475 1.898 20 0 EDADMP CC(C)CCOCC[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375336948 446731568 /nfs/dbraw/zinc/73/15/68/446731568.db2.gz PYCFMOJDQAXSEW-UHFFFAOYSA-N 2 1 327.513 1.389 20 0 EDADMP CC(C)CCOCC[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375336948 446731573 /nfs/dbraw/zinc/73/15/73/446731573.db2.gz PYCFMOJDQAXSEW-UHFFFAOYSA-N 2 1 327.513 1.389 20 0 EDADMP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371293302 446750008 /nfs/dbraw/zinc/75/00/08/446750008.db2.gz GMTVVPSWQQTVJY-FTEYMNFISA-N 2 1 348.487 1.918 20 0 EDADMP O=C(COC1C[NH2+]C1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423900537 446752360 /nfs/dbraw/zinc/75/23/60/446752360.db2.gz KGJUUBVXKFPXOH-IEBWSBKVSA-N 2 1 343.471 1.488 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423917404 446767511 /nfs/dbraw/zinc/76/75/11/446767511.db2.gz ZMXRWHWBNYCLLF-CEXWTWQISA-N 2 1 345.487 1.863 20 0 EDADMP COC1([C@@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCC1 ZINC000412020164 446787517 /nfs/dbraw/zinc/78/75/17/446787517.db2.gz JXSBMHLBLFATIR-HZPDHXFCSA-N 2 1 341.496 1.007 20 0 EDADMP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000423952539 446794910 /nfs/dbraw/zinc/79/49/10/446794910.db2.gz LASSIFCEIHFPBB-IAGOWNOFSA-N 2 1 333.476 1.767 20 0 EDADMP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000423952539 446794920 /nfs/dbraw/zinc/79/49/20/446794920.db2.gz LASSIFCEIHFPBB-IAGOWNOFSA-N 2 1 333.476 1.767 20 0 EDADMP C[NH2+]CCCN(C)C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000424018752 446825691 /nfs/dbraw/zinc/82/56/91/446825691.db2.gz JSJUROORNTULOX-IYBDPMFKSA-N 2 1 333.476 1.977 20 0 EDADMP C[NH2+]CCCN(C)C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000424018752 446825695 /nfs/dbraw/zinc/82/56/95/446825695.db2.gz JSJUROORNTULOX-IYBDPMFKSA-N 2 1 333.476 1.977 20 0 EDADMP C[C@@H]1OCC[C@H]1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371406528 446836003 /nfs/dbraw/zinc/83/60/03/446836003.db2.gz LYKZEROLLHCIJY-MAUKXSAKSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1C[NH3+] ZINC000424063985 446836534 /nfs/dbraw/zinc/83/65/34/446836534.db2.gz DKFDIZLONBQGIO-JFRXWTBNSA-N 2 1 345.487 1.719 20 0 EDADMP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1C[NH3+] ZINC000424063985 446836541 /nfs/dbraw/zinc/83/65/41/446836541.db2.gz DKFDIZLONBQGIO-JFRXWTBNSA-N 2 1 345.487 1.719 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000376928360 446801918 /nfs/dbraw/zinc/80/19/18/446801918.db2.gz AFGIACATMQIPEJ-UHFFFAOYSA-N 2 1 348.495 1.045 20 0 EDADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438885963 446803094 /nfs/dbraw/zinc/80/30/94/446803094.db2.gz WCBDZLFBAWTZLB-PBHICJAKSA-N 2 1 344.459 1.265 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423982390 446805397 /nfs/dbraw/zinc/80/53/97/446805397.db2.gz IVZURQYFLYRAIP-XLKGFZLASA-N 2 1 325.497 1.564 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423982390 446805400 /nfs/dbraw/zinc/80/54/00/446805400.db2.gz IVZURQYFLYRAIP-XLKGFZLASA-N 2 1 325.497 1.564 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423982384 446805473 /nfs/dbraw/zinc/80/54/73/446805473.db2.gz IVZURQYFLYRAIP-KCYAQADSSA-N 2 1 325.497 1.564 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423982384 446805478 /nfs/dbraw/zinc/80/54/78/446805478.db2.gz IVZURQYFLYRAIP-KCYAQADSSA-N 2 1 325.497 1.564 20 0 EDADMP C[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000368427561 446856885 /nfs/dbraw/zinc/85/68/85/446856885.db2.gz WQHZUVIKNUBQMX-UYAOXDASSA-N 2 1 331.504 1.861 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377032484 446872723 /nfs/dbraw/zinc/87/27/23/446872723.db2.gz RBKXUFWLKSNGPT-QYZOEREBSA-N 2 1 335.540 1.172 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000371675442 446947813 /nfs/dbraw/zinc/94/78/13/446947813.db2.gz HLXQZAJGTBQYBO-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371675442 446947816 /nfs/dbraw/zinc/94/78/16/446947816.db2.gz HLXQZAJGTBQYBO-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371675442 446947823 /nfs/dbraw/zinc/94/78/23/446947823.db2.gz HLXQZAJGTBQYBO-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371675442 446947830 /nfs/dbraw/zinc/94/78/30/446947830.db2.gz HLXQZAJGTBQYBO-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371675442 446947834 /nfs/dbraw/zinc/94/78/34/446947834.db2.gz HLXQZAJGTBQYBO-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)C2=O)c1 ZINC000442756878 446953330 /nfs/dbraw/zinc/95/33/30/446953330.db2.gz AXABMDLEFFMNJX-AHIWAGSCSA-N 2 1 333.432 1.478 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)C2=O)c1 ZINC000442756878 446953335 /nfs/dbraw/zinc/95/33/35/446953335.db2.gz AXABMDLEFFMNJX-AHIWAGSCSA-N 2 1 333.432 1.478 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)C2=O)c1 ZINC000442756881 446953469 /nfs/dbraw/zinc/95/34/69/446953469.db2.gz AXABMDLEFFMNJX-DCGLDWPTSA-N 2 1 333.432 1.478 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([N@H+]3C[C@H](C[NH3+])C[C@@H]3C)C2=O)c1 ZINC000442756881 446953477 /nfs/dbraw/zinc/95/34/77/446953477.db2.gz AXABMDLEFFMNJX-DCGLDWPTSA-N 2 1 333.432 1.478 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1F ZINC000442784965 446967820 /nfs/dbraw/zinc/96/78/20/446967820.db2.gz SRDVMOVKPWUOFB-VNHYZAJKSA-N 2 1 337.439 1.850 20 0 EDADMP CCOC1CC(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)C1 ZINC000375685411 446974022 /nfs/dbraw/zinc/97/40/22/446974022.db2.gz QBVBUPOVXCUHEA-AQEOSJORSA-N 2 1 325.497 1.138 20 0 EDADMP CCOC1CC(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)C1 ZINC000375685411 446974030 /nfs/dbraw/zinc/97/40/30/446974030.db2.gz QBVBUPOVXCUHEA-AQEOSJORSA-N 2 1 325.497 1.138 20 0 EDADMP CCOC1CC(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)C1 ZINC000375685411 446974037 /nfs/dbraw/zinc/97/40/37/446974037.db2.gz QBVBUPOVXCUHEA-AQEOSJORSA-N 2 1 325.497 1.138 20 0 EDADMP CCOC1CC(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)C1 ZINC000375685411 446974047 /nfs/dbraw/zinc/97/40/47/446974047.db2.gz QBVBUPOVXCUHEA-AQEOSJORSA-N 2 1 325.497 1.138 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419176444 446992020 /nfs/dbraw/zinc/99/20/20/446992020.db2.gz ZEFDUYFWJJMINS-OWCLPIDISA-N 2 1 338.496 1.014 20 0 EDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000443059617 447002595 /nfs/dbraw/zinc/00/25/95/447002595.db2.gz NIXKZZNLWCHXRN-HNNXBMFYSA-N 2 1 337.439 1.772 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000419191354 447002876 /nfs/dbraw/zinc/00/28/76/447002876.db2.gz OAGCPVQJRFYSRZ-GJZGRUSLSA-N 2 1 346.475 1.141 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[NH+]3CCC2CC3)C[C@@H](C)O1 ZINC000377303765 447051833 /nfs/dbraw/zinc/05/18/33/447051833.db2.gz KUMKDRUNEIZOKS-HUUCEWRRSA-N 2 1 338.496 1.364 20 0 EDADMP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3c[nH+]c4n3CCCC4)CC[C@H]21 ZINC000377313932 447060116 /nfs/dbraw/zinc/06/01/16/447060116.db2.gz ALWNQNBLWXEFML-GOEBONIOSA-N 2 1 331.464 1.845 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3c[nH+]c4n3CCCC4)CC[C@H]21 ZINC000377313932 447060122 /nfs/dbraw/zinc/06/01/22/447060122.db2.gz ALWNQNBLWXEFML-GOEBONIOSA-N 2 1 331.464 1.845 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[NH+](CC(C)(C)O)CC1 ZINC000368717833 447064594 /nfs/dbraw/zinc/06/45/94/447064594.db2.gz CGIOTSJGZFTYPO-UHFFFAOYSA-N 2 1 328.501 1.207 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000368717833 447064602 /nfs/dbraw/zinc/06/46/02/447064602.db2.gz CGIOTSJGZFTYPO-UHFFFAOYSA-N 2 1 328.501 1.207 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000368717833 447064611 /nfs/dbraw/zinc/06/46/11/447064611.db2.gz CGIOTSJGZFTYPO-UHFFFAOYSA-N 2 1 328.501 1.207 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C(C)(C)C)CC1 ZINC000444670191 447118330 /nfs/dbraw/zinc/11/83/30/447118330.db2.gz AIASHKHUFRQLOB-FUHWJXTLSA-N 2 1 347.503 1.888 20 0 EDADMP Cc1ncsc1/C=C/C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372489764 447084787 /nfs/dbraw/zinc/08/47/87/447084787.db2.gz HVPSSOPCENGJJO-RDFMZFSFSA-N 2 1 334.489 1.749 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000375912538 447142595 /nfs/dbraw/zinc/14/25/95/447142595.db2.gz PNEKZYJCDCPRSY-SFHVURJKSA-N 2 1 331.460 1.408 20 0 EDADMP COc1cccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000375897808 447130303 /nfs/dbraw/zinc/13/03/03/447130303.db2.gz LSSWVGXANAOZBS-KZNAEPCWSA-N 2 1 331.460 1.887 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000425462312 447174147 /nfs/dbraw/zinc/17/41/47/447174147.db2.gz DXUIMDMPKIDSCB-CABCVRRESA-N 2 1 326.485 1.221 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cn1C ZINC000377615660 447244879 /nfs/dbraw/zinc/24/48/79/447244879.db2.gz NBIWUPZNNLBPHQ-QGZVFWFLSA-N 2 1 348.491 1.412 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CCCO1 ZINC000425733422 447283185 /nfs/dbraw/zinc/28/31/85/447283185.db2.gz AKPMWHGRRFRSIO-YESZJQIVSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CCCO1 ZINC000425733422 447283191 /nfs/dbraw/zinc/28/31/91/447283191.db2.gz AKPMWHGRRFRSIO-YESZJQIVSA-N 2 1 338.496 1.223 20 0 EDADMP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458707133 447457928 /nfs/dbraw/zinc/45/79/28/447457928.db2.gz NKCKLIKQEADTPP-MRXNPFEDSA-N 2 1 338.496 1.007 20 0 EDADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426675111 447490023 /nfs/dbraw/zinc/49/00/23/447490023.db2.gz PHHIWOBBENUWNG-GOSISDBHSA-N 2 1 337.508 1.963 20 0 EDADMP O[C@@H](CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(F)(F)F ZINC000390890774 447504227 /nfs/dbraw/zinc/50/42/27/447504227.db2.gz ZBAHHWHJRATRES-CABCVRRESA-N 2 1 332.366 1.790 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)C(F)(F)F ZINC000390890774 447504234 /nfs/dbraw/zinc/50/42/34/447504234.db2.gz ZBAHHWHJRATRES-CABCVRRESA-N 2 1 332.366 1.790 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)Cn1cccn1 ZINC000390878658 447504887 /nfs/dbraw/zinc/50/48/87/447504887.db2.gz VDDITWTYFBYNMP-RBUKOAKNSA-N 2 1 344.459 1.125 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)Cn1cccn1 ZINC000390878658 447504891 /nfs/dbraw/zinc/50/48/91/447504891.db2.gz VDDITWTYFBYNMP-RBUKOAKNSA-N 2 1 344.459 1.125 20 0 EDADMP CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)c1ccco1 ZINC000457437988 447582203 /nfs/dbraw/zinc/58/22/03/447582203.db2.gz INEJLCANPYJTCQ-HUUCEWRRSA-N 2 1 338.452 1.028 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccco1 ZINC000457437988 447582208 /nfs/dbraw/zinc/58/22/08/447582208.db2.gz INEJLCANPYJTCQ-HUUCEWRRSA-N 2 1 338.452 1.028 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CC[NH+](C2CCC2)CC1 ZINC000459117091 447582273 /nfs/dbraw/zinc/58/22/73/447582273.db2.gz VDGMFNBFYDRUAW-KRWDZBQOSA-N 2 1 338.496 1.149 20 0 EDADMP COC[C@]1(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]C1 ZINC000396405355 447542697 /nfs/dbraw/zinc/54/26/97/447542697.db2.gz CYGXIPGDXGYTOQ-LPHOPBHVSA-N 2 1 331.460 1.345 20 0 EDADMP COC[C@]1(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]C1 ZINC000396405355 447542701 /nfs/dbraw/zinc/54/27/01/447542701.db2.gz CYGXIPGDXGYTOQ-LPHOPBHVSA-N 2 1 331.460 1.345 20 0 EDADMP CC1(C)CC(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC(C)(C)[NH2+]1 ZINC000457397779 447572386 /nfs/dbraw/zinc/57/23/86/447572386.db2.gz WIAZALTWYZKTTR-HNNXBMFYSA-N 2 1 340.512 1.442 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)C[C@@H]3CC[NH2+]C3)CCCCC2)CCO1 ZINC000427274947 447573788 /nfs/dbraw/zinc/57/37/88/447573788.db2.gz RFYBMORIYWHYFB-INIZCTEOSA-N 2 1 337.508 1.916 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459333277 447636736 /nfs/dbraw/zinc/63/67/36/447636736.db2.gz IIFYDMUKUBPWRY-ZDUSSCGKSA-N 2 1 334.464 1.584 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1CC[NH3+] ZINC000404300863 447598467 /nfs/dbraw/zinc/59/84/67/447598467.db2.gz ZDENXBOKOIXUQY-YOEHRIQHSA-N 2 1 339.505 1.886 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CN1CC[NH2+]CC1 ZINC000404403927 447599127 /nfs/dbraw/zinc/59/91/27/447599127.db2.gz XULMHGMIXZGZGD-RCCFBDPRSA-N 2 1 344.503 1.402 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@H](C)O1 ZINC000459163405 447602788 /nfs/dbraw/zinc/60/27/88/447602788.db2.gz LABVKXVQYHFRPU-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000457729981 447623591 /nfs/dbraw/zinc/62/35/91/447623591.db2.gz JGNMKJWRULBYJL-MRXNPFEDSA-N 2 1 333.480 2.318 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000416861973 447698438 /nfs/dbraw/zinc/69/84/38/447698438.db2.gz FOUPYKXSEDFIQV-JKSUJKDBSA-N 2 1 326.485 1.032 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459541356 447700397 /nfs/dbraw/zinc/70/03/97/447700397.db2.gz WEFIQWBMUMMMPA-UHFFFAOYSA-N 2 1 347.507 1.909 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC(C)(C)CC[NH3+])c2)CCO1 ZINC000422602108 447665095 /nfs/dbraw/zinc/66/50/95/447665095.db2.gz ZPDWDQPVGCNLDJ-OAHLLOKOSA-N 2 1 348.491 1.834 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC(C)(C)CC[NH3+])c2)CCO1 ZINC000422602108 447665097 /nfs/dbraw/zinc/66/50/97/447665097.db2.gz ZPDWDQPVGCNLDJ-OAHLLOKOSA-N 2 1 348.491 1.834 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCCOc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000422640701 447684022 /nfs/dbraw/zinc/68/40/22/447684022.db2.gz VVPSSGQGNCHLMP-QLFBSQMISA-N 2 1 337.439 1.626 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCCOc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000422640701 447684024 /nfs/dbraw/zinc/68/40/24/447684024.db2.gz VVPSSGQGNCHLMP-QLFBSQMISA-N 2 1 337.439 1.626 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416923408 447711454 /nfs/dbraw/zinc/71/14/54/447711454.db2.gz PUTVZQWVBRWZJQ-OWCLPIDISA-N 2 1 340.512 1.658 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416923408 447711459 /nfs/dbraw/zinc/71/14/59/447711459.db2.gz PUTVZQWVBRWZJQ-OWCLPIDISA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416927328 447712632 /nfs/dbraw/zinc/71/26/32/447712632.db2.gz VUIXFLWOOVGBTO-XHSDSOJGSA-N 2 1 342.528 1.889 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416927328 447712637 /nfs/dbraw/zinc/71/26/37/447712637.db2.gz VUIXFLWOOVGBTO-XHSDSOJGSA-N 2 1 342.528 1.889 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000416938867 447716062 /nfs/dbraw/zinc/71/60/62/447716062.db2.gz LWPWXPCCHXPQAA-ZBFHGGJFSA-N 2 1 326.485 1.112 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000416938080 447716145 /nfs/dbraw/zinc/71/61/45/447716145.db2.gz KKFMMMKZGPNQFC-YESZJQIVSA-N 2 1 340.512 1.421 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+]1CCOCC1 ZINC000416945383 447721311 /nfs/dbraw/zinc/72/13/11/447721311.db2.gz WFCRGUMVJBYMPK-OAGGEKHMSA-N 2 1 326.485 1.112 20 0 EDADMP CC[C@H](CNC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417005549 447729346 /nfs/dbraw/zinc/72/93/46/447729346.db2.gz DMWNTFZDQJPQKX-OLMNPRSZSA-N 2 1 330.476 1.812 20 0 EDADMP CC[C@H](CNC(=O)NC1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000417009293 447729653 /nfs/dbraw/zinc/72/96/53/447729653.db2.gz KEGCUYJZPHCJGM-GOSISDBHSA-N 2 1 330.476 1.875 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[nH+]c1 ZINC000417056874 447732347 /nfs/dbraw/zinc/73/23/47/447732347.db2.gz AEXREBQDNLLKDI-JYJNAYRXSA-N 2 1 331.464 1.961 20 0 EDADMP CC[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422845845 447767560 /nfs/dbraw/zinc/76/75/60/447767560.db2.gz OWRSBWHFQQILQP-SJORKVTESA-N 2 1 345.491 1.241 20 0 EDADMP COc1ccc([C@H](NC[C@@H]2C[N@@H+](C)CCN2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422914789 447771786 /nfs/dbraw/zinc/77/17/86/447771786.db2.gz VZVBBTRHYCHYKK-QRQLOZEOSA-N 2 1 332.492 1.324 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000430553638 447776619 /nfs/dbraw/zinc/77/66/19/447776619.db2.gz UJYHFLHEKFSPEL-MAUKXSAKSA-N 2 1 333.476 1.899 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000430553638 447776621 /nfs/dbraw/zinc/77/66/21/447776621.db2.gz UJYHFLHEKFSPEL-MAUKXSAKSA-N 2 1 333.476 1.899 20 0 EDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000430551766 447776877 /nfs/dbraw/zinc/77/68/77/447776877.db2.gz INBCIDVSLZQPEF-VHSXEESVSA-N 2 1 326.363 1.068 20 0 EDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000430551766 447776880 /nfs/dbraw/zinc/77/68/80/447776880.db2.gz INBCIDVSLZQPEF-VHSXEESVSA-N 2 1 326.363 1.068 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCCN(C)c2ccccc2)C1 ZINC000430561733 447780011 /nfs/dbraw/zinc/78/00/11/447780011.db2.gz ABKURJHGUPLFAJ-DLBZAZTESA-N 2 1 332.492 1.688 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCCN(C)c2ccccc2)C1 ZINC000430561733 447780015 /nfs/dbraw/zinc/78/00/15/447780015.db2.gz ABKURJHGUPLFAJ-DLBZAZTESA-N 2 1 332.492 1.688 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000422973949 447785873 /nfs/dbraw/zinc/78/58/73/447785873.db2.gz CZNUMNMQQNYHPV-CEXWTWQISA-N 3 1 335.492 1.213 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000422973949 447785879 /nfs/dbraw/zinc/78/58/79/447785879.db2.gz CZNUMNMQQNYHPV-CEXWTWQISA-N 3 1 335.492 1.213 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)[C@@H](C)C1 ZINC000430798816 447786496 /nfs/dbraw/zinc/78/64/96/447786496.db2.gz VDUYTDOWXAPRGJ-BBRMVZONSA-N 2 1 348.495 1.313 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430930406 447788019 /nfs/dbraw/zinc/78/80/19/447788019.db2.gz ALIWYTQAWUZGMA-WMZOPIPTSA-N 3 1 344.503 1.436 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430930406 447788022 /nfs/dbraw/zinc/78/80/22/447788022.db2.gz ALIWYTQAWUZGMA-WMZOPIPTSA-N 3 1 344.503 1.436 20 0 EDADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000423111900 447807985 /nfs/dbraw/zinc/80/79/85/447807985.db2.gz RGCMYVNADSUOMV-KXNHARMFSA-N 2 1 325.482 1.794 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000487962295 447839561 /nfs/dbraw/zinc/83/95/61/447839561.db2.gz YAHJVRBAYLFVNX-YSHGAJCASA-N 2 1 345.487 1.762 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000487962295 447839563 /nfs/dbraw/zinc/83/95/63/447839563.db2.gz YAHJVRBAYLFVNX-YSHGAJCASA-N 2 1 345.487 1.762 20 0 EDADMP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000487962295 447839566 /nfs/dbraw/zinc/83/95/66/447839566.db2.gz YAHJVRBAYLFVNX-YSHGAJCASA-N 2 1 345.487 1.762 20 0 EDADMP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000487962295 447839568 /nfs/dbraw/zinc/83/95/68/447839568.db2.gz YAHJVRBAYLFVNX-YSHGAJCASA-N 2 1 345.487 1.762 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000487083919 447827230 /nfs/dbraw/zinc/82/72/30/447827230.db2.gz LXGOERWBXKRYHR-OAGGEKHMSA-N 2 1 325.522 1.899 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000487330575 447829482 /nfs/dbraw/zinc/82/94/82/447829482.db2.gz FIYGMTKQZXZMMQ-OAHLLOKOSA-N 2 1 333.476 1.665 20 0 EDADMP CCOC(=O)N1CCC[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000496749557 447879705 /nfs/dbraw/zinc/87/97/05/447879705.db2.gz CBJAVIFNKHSLHG-MRXNPFEDSA-N 2 1 335.448 1.902 20 0 EDADMP CCOC(=O)N1CCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000496749557 447879712 /nfs/dbraw/zinc/87/97/12/447879712.db2.gz CBJAVIFNKHSLHG-MRXNPFEDSA-N 2 1 335.448 1.902 20 0 EDADMP C[N@@H+]1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c2ccccc2C1 ZINC000575804875 447902308 /nfs/dbraw/zinc/90/23/08/447902308.db2.gz CKRBSHFNEGKOPO-HNNXBMFYSA-N 2 1 340.431 1.122 20 0 EDADMP C[N@H+]1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c2ccccc2C1 ZINC000575804875 447902311 /nfs/dbraw/zinc/90/23/11/447902311.db2.gz CKRBSHFNEGKOPO-HNNXBMFYSA-N 2 1 340.431 1.122 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000524694269 447940911 /nfs/dbraw/zinc/94/09/11/447940911.db2.gz GGTGGFPUYKOENF-IEBWSBKVSA-N 2 1 342.487 1.989 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000524694269 447940916 /nfs/dbraw/zinc/94/09/16/447940916.db2.gz GGTGGFPUYKOENF-IEBWSBKVSA-N 2 1 342.487 1.989 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000524694269 447940919 /nfs/dbraw/zinc/94/09/19/447940919.db2.gz GGTGGFPUYKOENF-IEBWSBKVSA-N 2 1 342.487 1.989 20 0 EDADMP Cc1cc(N2CC[C@H]([NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)C2=O)n(C)n1 ZINC000570062751 447942515 /nfs/dbraw/zinc/94/25/15/447942515.db2.gz CIQUROQRADXWMZ-BMFZPTHFSA-N 2 1 333.480 1.734 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cn[nH]c1 ZINC000530711909 447944944 /nfs/dbraw/zinc/94/49/44/447944944.db2.gz LHIVXAZMHYVRPI-UHFFFAOYSA-N 2 1 333.480 1.678 20 0 EDADMP Cc1cccn2cc(CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)nc12 ZINC000524160260 447917697 /nfs/dbraw/zinc/91/76/97/447917697.db2.gz OVZFJMWXHWUUHV-KRWDZBQOSA-N 2 1 344.459 1.658 20 0 EDADMP Cc1cccn2cc(CC(=O)NC[C@H]3CN(CC(C)C)CCO3)nc12 ZINC000524160260 447917703 /nfs/dbraw/zinc/91/77/03/447917703.db2.gz OVZFJMWXHWUUHV-KRWDZBQOSA-N 2 1 344.459 1.658 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCC2=CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000570382552 447997983 /nfs/dbraw/zinc/99/79/83/447997983.db2.gz PAWKPXRSRAXVEA-CRAIPNDOSA-N 2 1 328.460 1.868 20 0 EDADMP CC1(C)C[NH+](Cc2cncc(C[N@H+]3C[C@H](O)C(C)(C)C3)c2)C[C@@H]1O ZINC000576227702 448004050 /nfs/dbraw/zinc/00/40/50/448004050.db2.gz YSHRYFCFBRJQQU-IRXDYDNUSA-N 2 1 333.476 1.487 20 0 EDADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253175 448008071 /nfs/dbraw/zinc/00/80/71/448008071.db2.gz POEGLAKQWXPCGS-IAGOWNOFSA-N 2 1 327.469 1.290 20 0 EDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253175 448008076 /nfs/dbraw/zinc/00/80/76/448008076.db2.gz POEGLAKQWXPCGS-IAGOWNOFSA-N 2 1 327.469 1.290 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253175 448008080 /nfs/dbraw/zinc/00/80/80/448008080.db2.gz POEGLAKQWXPCGS-IAGOWNOFSA-N 2 1 327.469 1.290 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253175 448008081 /nfs/dbraw/zinc/00/80/81/448008081.db2.gz POEGLAKQWXPCGS-IAGOWNOFSA-N 2 1 327.469 1.290 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000497254617 448009938 /nfs/dbraw/zinc/00/99/38/448009938.db2.gz VYRZOJLKGZDVLW-CQSZACIVSA-N 2 1 339.484 1.405 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](CCOC[C@H]3CCCO3)CC2)CC1 ZINC000570270702 447973332 /nfs/dbraw/zinc/97/33/32/447973332.db2.gz IGVYFEGJVTURKZ-LJQANCHMSA-N 2 1 339.524 1.674 20 0 EDADMP CCN(CC)C(=O)OC[C@H]1CCCCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000496906583 448023258 /nfs/dbraw/zinc/02/32/58/448023258.db2.gz GHMONSIOQAMXMS-SJORKVTESA-N 2 1 341.496 1.774 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000576443838 448054127 /nfs/dbraw/zinc/05/41/27/448054127.db2.gz FEEPJTBNECIUPO-KRWDZBQOSA-N 2 1 348.491 1.863 20 0 EDADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531293685 448056411 /nfs/dbraw/zinc/05/64/11/448056411.db2.gz GVCWFZDBIITQFA-FQEVSTJZSA-N 2 1 345.487 1.424 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)[C@H](C)C1 ZINC000497608329 448072786 /nfs/dbraw/zinc/07/27/86/448072786.db2.gz DGWKGQLZQMQSLJ-OWCLPIDISA-N 2 1 328.501 1.373 20 0 EDADMP COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000570964318 448086443 /nfs/dbraw/zinc/08/64/43/448086443.db2.gz KGXBHZCINSJHCC-QGZVFWFLSA-N 2 1 346.475 1.312 20 0 EDADMP COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000570964318 448086449 /nfs/dbraw/zinc/08/64/49/448086449.db2.gz KGXBHZCINSJHCC-QGZVFWFLSA-N 2 1 346.475 1.312 20 0 EDADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000571053861 448101637 /nfs/dbraw/zinc/10/16/37/448101637.db2.gz ICUKMJOXKITRBF-OLZOCXBDSA-N 2 1 342.281 1.931 20 0 EDADMP C[NH+]1CCN(CCCC[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000556093109 448106479 /nfs/dbraw/zinc/10/64/79/448106479.db2.gz NWAHRHGHRCWMLA-UHFFFAOYSA-N 2 1 327.476 1.990 20 0 EDADMP COC[C@@]1(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CCC[NH2+]1 ZINC000576871957 448158946 /nfs/dbraw/zinc/15/89/46/448158946.db2.gz MQRJOZCTKFZLHO-HKUYNNGSSA-N 2 1 346.475 1.178 20 0 EDADMP C[NH2+]CCCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000576730055 448127396 /nfs/dbraw/zinc/12/73/96/448127396.db2.gz ZXFZMUMLHUZFQS-RDJZCZTQSA-N 2 1 334.464 1.185 20 0 EDADMP C[NH2+]CCCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000576730055 448127398 /nfs/dbraw/zinc/12/73/98/448127398.db2.gz ZXFZMUMLHUZFQS-RDJZCZTQSA-N 2 1 334.464 1.185 20 0 EDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531714376 448132072 /nfs/dbraw/zinc/13/20/72/448132072.db2.gz CGNZQYQWKZFKEQ-MNEFBYGVSA-N 2 1 344.503 1.424 20 0 EDADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000576799244 448140605 /nfs/dbraw/zinc/14/06/05/448140605.db2.gz IZOBEIKGTWVIEG-WMZOPIPTSA-N 2 1 345.491 1.603 20 0 EDADMP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[N@@H+](C)C1CC1 ZINC000531770778 448141764 /nfs/dbraw/zinc/14/17/64/448141764.db2.gz FKPJQILJSMCHED-COXVUDFISA-N 2 1 338.496 1.146 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000571817924 448211088 /nfs/dbraw/zinc/21/10/88/448211088.db2.gz CPOIROJPRGELHD-INIZCTEOSA-N 2 1 335.496 1.543 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000576898594 448167082 /nfs/dbraw/zinc/16/70/82/448167082.db2.gz IYPLGVTZWWAMSE-MSOLQXFVSA-N 2 1 332.492 1.432 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000582556488 448274345 /nfs/dbraw/zinc/27/43/45/448274345.db2.gz ODWWTMOZFHPSQK-HOTGVXAUSA-N 2 1 345.491 1.388 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000577264965 448250844 /nfs/dbraw/zinc/25/08/44/448250844.db2.gz JOHRHYIDAAECBS-QZTJIDSGSA-N 2 1 332.492 1.895 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)NCC[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000515144882 448266030 /nfs/dbraw/zinc/26/60/30/448266030.db2.gz QXXBJDPRPSTOSE-MRXNPFEDSA-N 2 1 348.495 1.120 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)NCC[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000515144882 448266036 /nfs/dbraw/zinc/26/60/36/448266036.db2.gz QXXBJDPRPSTOSE-MRXNPFEDSA-N 2 1 348.495 1.120 20 0 EDADMP CC1(C)CCC[NH+]1CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000572218696 448316314 /nfs/dbraw/zinc/31/63/14/448316314.db2.gz JXZXAUQCYPXUBG-HXUWFJFHSA-N 2 1 345.487 1.614 20 0 EDADMP CC1(C)CCC[NH+]1CCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000572218696 448316322 /nfs/dbraw/zinc/31/63/22/448316322.db2.gz JXZXAUQCYPXUBG-HXUWFJFHSA-N 2 1 345.487 1.614 20 0 EDADMP C[N@@H+](CCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O)Cc1ccccc1 ZINC000577403305 448289238 /nfs/dbraw/zinc/28/92/38/448289238.db2.gz JSVLXZAKIGZUMB-UHFFFAOYSA-N 2 1 344.459 1.619 20 0 EDADMP CC(C)[C@H]1OCC[C@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000515750428 448346129 /nfs/dbraw/zinc/34/61/29/448346129.db2.gz ITCFHXWSCLIXBH-RHSMWYFYSA-N 2 1 332.448 1.833 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000591418493 448357587 /nfs/dbraw/zinc/35/75/87/448357587.db2.gz DMAVKZBAEHSIMC-LSDHHAIUSA-N 2 1 336.505 1.105 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000591418493 448357591 /nfs/dbraw/zinc/35/75/91/448357591.db2.gz DMAVKZBAEHSIMC-LSDHHAIUSA-N 2 1 336.505 1.105 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]31)CC2 ZINC000582849418 448359460 /nfs/dbraw/zinc/35/94/60/448359460.db2.gz KDEFBAYMQJJWHC-JOCBIADPSA-N 2 1 346.475 1.464 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC(CC[NH3+])CC2)C[C@H](C)O1 ZINC000515855902 448359486 /nfs/dbraw/zinc/35/94/86/448359486.db2.gz LAAFHJANMUDAMM-GASCZTMLSA-N 2 1 326.485 1.256 20 0 EDADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000516018471 448369274 /nfs/dbraw/zinc/36/92/74/448369274.db2.gz YODVGSJJEDOOOZ-HNNXBMFYSA-N 2 1 344.459 1.214 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000516018471 448369277 /nfs/dbraw/zinc/36/92/77/448369277.db2.gz YODVGSJJEDOOOZ-HNNXBMFYSA-N 2 1 344.459 1.214 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000572285701 448336863 /nfs/dbraw/zinc/33/68/63/448336863.db2.gz ASKLNQFTCRRGMN-QZTJIDSGSA-N 2 1 344.507 1.335 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCN1CCOC[C@H]1C ZINC000591574034 448393633 /nfs/dbraw/zinc/39/36/33/448393633.db2.gz UWRZDWHFYOCVBS-YYIAUSFCSA-N 2 1 340.512 1.373 20 0 EDADMP CNC(=O)CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516192316 448395149 /nfs/dbraw/zinc/39/51/49/448395149.db2.gz YQNIYHRHMKILQV-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)c1 ZINC000566162928 448400549 /nfs/dbraw/zinc/40/05/49/448400549.db2.gz NHVWZOAXJGMTMB-CRAIPNDOSA-N 2 1 349.475 1.258 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000583023581 448406172 /nfs/dbraw/zinc/40/61/72/448406172.db2.gz YLTJLWWQAWJUBA-HCMIALLCSA-N 2 1 337.512 1.065 20 0 EDADMP C[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000572585287 448414502 /nfs/dbraw/zinc/41/45/02/448414502.db2.gz JDXLMCRTMPAOCL-OXJNMPFZSA-N 2 1 347.503 1.716 20 0 EDADMP CN(CCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000572636821 448430038 /nfs/dbraw/zinc/43/00/38/448430038.db2.gz DIXVCVGJENVLKO-UHFFFAOYSA-N 2 1 347.503 1.672 20 0 EDADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCC(CO)CC1 ZINC000578243894 448497675 /nfs/dbraw/zinc/49/76/75/448497675.db2.gz VBUXFROYYXLFTF-UHFFFAOYSA-N 2 1 333.480 1.211 20 0 EDADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCC(CO)CC1 ZINC000578243894 448497682 /nfs/dbraw/zinc/49/76/82/448497682.db2.gz VBUXFROYYXLFTF-UHFFFAOYSA-N 2 1 333.480 1.211 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000566610757 448518747 /nfs/dbraw/zinc/51/87/47/448518747.db2.gz XOUYQVCABCPHAH-NJAFHUGGSA-N 2 1 346.475 1.409 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000537583430 448562406 /nfs/dbraw/zinc/56/24/06/448562406.db2.gz RNOCMHWTXMDIPD-TZMCWYRMSA-N 2 1 344.463 1.447 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000537583430 448562412 /nfs/dbraw/zinc/56/24/12/448562412.db2.gz RNOCMHWTXMDIPD-TZMCWYRMSA-N 2 1 344.463 1.447 20 0 EDADMP C[C@H](c1cccc(NC[C@H](O)C[N@H+](C)C2CC2)c1)[NH+]1CCOCC1 ZINC000566851480 448570461 /nfs/dbraw/zinc/57/04/61/448570461.db2.gz YIMFHWOJIBSRAU-BEFAXECRSA-N 2 1 333.476 1.947 20 0 EDADMP C[C@H](c1cccc(NC[C@H](O)C[N@@H+](C)C2CC2)c1)[NH+]1CCOCC1 ZINC000566851480 448570468 /nfs/dbraw/zinc/57/04/68/448570468.db2.gz YIMFHWOJIBSRAU-BEFAXECRSA-N 2 1 333.476 1.947 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000537961717 448575699 /nfs/dbraw/zinc/57/56/99/448575699.db2.gz VLMWSJXZHDFHOY-BZUAXINKSA-N 2 1 343.479 1.271 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCCOc3ccc4ccccc4c3)CCN2C1=O ZINC000578550717 448577465 /nfs/dbraw/zinc/57/74/65/448577465.db2.gz MFSLRZDIPOTZPI-PKOBYXMFSA-N 2 1 339.439 1.853 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCCOc3ccc4ccccc4c3)CCN2C1=O ZINC000578550717 448577469 /nfs/dbraw/zinc/57/74/69/448577469.db2.gz MFSLRZDIPOTZPI-PKOBYXMFSA-N 2 1 339.439 1.853 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000517107569 448538843 /nfs/dbraw/zinc/53/88/43/448538843.db2.gz LHWVVEJPSDQAHU-MRXNPFEDSA-N 2 1 338.496 1.415 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000539439359 448612269 /nfs/dbraw/zinc/61/22/69/448612269.db2.gz XRMQQLLMRWCVKY-LJQANCHMSA-N 2 1 329.444 1.002 20 0 EDADMP C[NH+]1CC=C(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000539439359 448612274 /nfs/dbraw/zinc/61/22/74/448612274.db2.gz XRMQQLLMRWCVKY-LJQANCHMSA-N 2 1 329.444 1.002 20 0 EDADMP C[NH+]1CC=C(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000539439359 448612282 /nfs/dbraw/zinc/61/22/82/448612282.db2.gz XRMQQLLMRWCVKY-LJQANCHMSA-N 2 1 329.444 1.002 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000573407133 448618335 /nfs/dbraw/zinc/61/83/35/448618335.db2.gz FPMPPNCDLODPAA-WMZOPIPTSA-N 2 1 337.508 1.747 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000573275608 448585144 /nfs/dbraw/zinc/58/51/44/448585144.db2.gz VQCKNBYJPGXBPV-SYJJWHGVSA-N 2 1 336.480 1.751 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000573308870 448592528 /nfs/dbraw/zinc/59/25/28/448592528.db2.gz NNRVKXVZPABRFK-BFYDXBDKSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000584828960 448647261 /nfs/dbraw/zinc/64/72/61/448647261.db2.gz QGPCQWAOPRWAOI-CVEARBPZSA-N 2 1 338.496 1.271 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000592095621 448679193 /nfs/dbraw/zinc/67/91/93/448679193.db2.gz YDKOSNNYGPVTNI-MRXNPFEDSA-N 2 1 349.475 1.468 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)CC(F)(F)C[NH3+])[NH+]1CCCC1 ZINC000567622767 448725283 /nfs/dbraw/zinc/72/52/83/448725283.db2.gz TULMSDFVVDWQQA-CQSZACIVSA-N 2 1 341.402 1.932 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000579260289 448756565 /nfs/dbraw/zinc/75/65/65/448756565.db2.gz KSCGHYSZYBDWRH-AEFFLSMTSA-N 2 1 332.492 1.800 20 0 EDADMP CC[NH+]1CCC(CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000586788738 448812528 /nfs/dbraw/zinc/81/25/28/448812528.db2.gz CHLFLDODLUXOIP-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000579662489 448842636 /nfs/dbraw/zinc/84/26/36/448842636.db2.gz KCIAHKMDBLEBBC-SOUVJXGZSA-N 2 1 338.448 1.516 20 0 EDADMP Cc1nc(NCC2=CC[N@@H+](C)CC2)cc(NCC2=CC[NH+](C)CC2)[nH+]1 ZINC000546888278 448853376 /nfs/dbraw/zinc/85/33/76/448853376.db2.gz ATWNYAOHVWKORA-UHFFFAOYSA-N 3 1 342.491 2.133 20 0 EDADMP Cc1nc(NCC2=CC[NH+](C)CC2)cc(NCC2=CC[N@H+](C)CC2)[nH+]1 ZINC000546888278 448853380 /nfs/dbraw/zinc/85/33/80/448853380.db2.gz ATWNYAOHVWKORA-UHFFFAOYSA-N 3 1 342.491 2.133 20 0 EDADMP Cc1nc(NCC2=CC[NH+](C)CC2)cc(NCC2=CC[N@@H+](C)CC2)[nH+]1 ZINC000546888278 448853384 /nfs/dbraw/zinc/85/33/84/448853384.db2.gz ATWNYAOHVWKORA-UHFFFAOYSA-N 3 1 342.491 2.133 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]C4)C2)C1 ZINC000579932101 448911919 /nfs/dbraw/zinc/91/19/19/448911919.db2.gz OLTKAWWOEBKOLJ-IBGZPJMESA-N 2 1 342.443 1.173 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C[C@H]1C ZINC000574641777 448923584 /nfs/dbraw/zinc/92/35/84/448923584.db2.gz ZREICYPNNVPYSY-PVAVHDDUSA-N 2 1 333.480 1.752 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000521029733 448947423 /nfs/dbraw/zinc/94/74/23/448947423.db2.gz ORLBEUWHGSFYSR-UHFFFAOYSA-N 2 1 346.475 1.725 20 0 EDADMP C[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)S(C)(=O)=O ZINC000568983303 448948473 /nfs/dbraw/zinc/94/84/73/448948473.db2.gz HDSFDIJZZWHXDN-YOEHRIQHSA-N 2 1 340.489 1.166 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000574889566 448982028 /nfs/dbraw/zinc/98/20/28/448982028.db2.gz IILGTYNRJHMILR-OAHLLOKOSA-N 2 1 331.420 1.875 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000574889566 448982030 /nfs/dbraw/zinc/98/20/30/448982030.db2.gz IILGTYNRJHMILR-OAHLLOKOSA-N 2 1 331.420 1.875 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000521881171 449023495 /nfs/dbraw/zinc/02/34/95/449023495.db2.gz SQEFAJFACNRSEN-SFHVURJKSA-N 2 1 345.487 1.879 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000582365262 449076478 /nfs/dbraw/zinc/07/64/78/449076478.db2.gz OTHMXQYBWAZGJA-OAHLLOKOSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@]1(C[NH3+])CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000582230946 449043007 /nfs/dbraw/zinc/04/30/07/449043007.db2.gz RTOCQEKLHMNNJT-AZUAARDMSA-N 2 1 344.503 1.931 20 0 EDADMP C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000548717037 449088453 /nfs/dbraw/zinc/08/84/53/449088453.db2.gz DTXHZLLJIMCMRY-HOTGVXAUSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000548717037 449088458 /nfs/dbraw/zinc/08/84/58/449088458.db2.gz DTXHZLLJIMCMRY-HOTGVXAUSA-N 2 1 325.497 1.866 20 0 EDADMP CCOC(=O)C[C@@H](C)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601966609 449249929 /nfs/dbraw/zinc/24/99/29/449249929.db2.gz SDOTZRFCBICKQS-VQIMIIECSA-N 2 1 334.460 1.802 20 0 EDADMP CCOC(=O)C[C@@H](C)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601966609 449249935 /nfs/dbraw/zinc/24/99/35/449249935.db2.gz SDOTZRFCBICKQS-VQIMIIECSA-N 2 1 334.460 1.802 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)[nH+]c1 ZINC000606641813 449496933 /nfs/dbraw/zinc/49/69/33/449496933.db2.gz YRJLRBMCGONNJK-HNNXBMFYSA-N 2 1 333.480 2.222 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC[NH+](C)CC1 ZINC000606702541 449511615 /nfs/dbraw/zinc/51/16/15/449511615.db2.gz ZVUOTNXOIUYWIG-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C1CCOCC1 ZINC000602481628 449625766 /nfs/dbraw/zinc/62/57/66/449625766.db2.gz HCYQPGHFYKDFBQ-RBUKOAKNSA-N 2 1 339.524 1.528 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccnn1-c1ccccc1 ZINC000617506903 449656077 /nfs/dbraw/zinc/65/60/77/449656077.db2.gz BWYLKCBQLWCAQA-INIZCTEOSA-N 2 1 343.475 1.874 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccnn1-c1ccccc1 ZINC000617506903 449656081 /nfs/dbraw/zinc/65/60/81/449656081.db2.gz BWYLKCBQLWCAQA-INIZCTEOSA-N 2 1 343.475 1.874 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nnc(C(C)(C)C)s1 ZINC000617507250 449656539 /nfs/dbraw/zinc/65/65/39/449656539.db2.gz OAPAVVHQQHBULY-LBPRGKRZSA-N 2 1 341.525 1.837 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nnc(C(C)(C)C)s1 ZINC000617507250 449656544 /nfs/dbraw/zinc/65/65/44/449656544.db2.gz OAPAVVHQQHBULY-LBPRGKRZSA-N 2 1 341.525 1.837 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(CO)c(F)c1 ZINC000617507510 449659287 /nfs/dbraw/zinc/65/92/87/449659287.db2.gz ZLPWESGDJPHVAV-ZDUSSCGKSA-N 2 1 325.428 1.320 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(CO)c(F)c1 ZINC000617507510 449659293 /nfs/dbraw/zinc/65/92/93/449659293.db2.gz ZLPWESGDJPHVAV-ZDUSSCGKSA-N 2 1 325.428 1.320 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@H]1CCC[N@@H+](C)C1 ZINC000607686982 449635151 /nfs/dbraw/zinc/63/51/51/449635151.db2.gz NUBXZAIBDSYHGK-MSOLQXFVSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1CCC[NH+](C)C1 ZINC000607686982 449635155 /nfs/dbraw/zinc/63/51/55/449635155.db2.gz NUBXZAIBDSYHGK-MSOLQXFVSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1CCC[NH+](C)C1 ZINC000607686982 449635160 /nfs/dbraw/zinc/63/51/60/449635160.db2.gz NUBXZAIBDSYHGK-MSOLQXFVSA-N 2 1 330.476 1.846 20 0 EDADMP CCN(C(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000617555078 449684411 /nfs/dbraw/zinc/68/44/11/449684411.db2.gz PMYCXRMDFHSEFQ-LJQANCHMSA-N 2 1 344.503 1.600 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000617504174 449645998 /nfs/dbraw/zinc/64/59/98/449645998.db2.gz JAIXASDHCFXJIX-ZDUSSCGKSA-N 2 1 333.436 1.672 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000617504174 449646002 /nfs/dbraw/zinc/64/60/02/449646002.db2.gz JAIXASDHCFXJIX-ZDUSSCGKSA-N 2 1 333.436 1.672 20 0 EDADMP CC(C)(C)OC(=O)COCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000601296685 449808449 /nfs/dbraw/zinc/80/84/49/449808449.db2.gz XGLIEEAAFOSZON-INIZCTEOSA-N 2 1 342.480 1.578 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000617765071 449827186 /nfs/dbraw/zinc/82/71/86/449827186.db2.gz SEVWOAVKKXAIRD-SFHVURJKSA-N 2 1 338.540 1.783 20 0 EDADMP COC(=O)c1coc([C@H](C)[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)n1 ZINC000601325786 449834065 /nfs/dbraw/zinc/83/40/65/449834065.db2.gz NZMGPFAAUNMQJT-WHOFXGATSA-N 2 1 337.420 1.741 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)N1CCOCC1 ZINC000599301060 449874033 /nfs/dbraw/zinc/87/40/33/449874033.db2.gz APMIKVBDVSWNKZ-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000612901518 449934027 /nfs/dbraw/zinc/93/40/27/449934027.db2.gz GCVXXYJEAPVOTO-IEBWSBKVSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612882301 449925017 /nfs/dbraw/zinc/92/50/17/449925017.db2.gz FZSVSDWXQYVEBT-APWZRJJASA-N 2 1 345.491 1.248 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000609133450 449964840 /nfs/dbraw/zinc/96/48/40/449964840.db2.gz HQCLEMNGVRLIQF-UHFFFAOYSA-N 2 1 326.485 1.663 20 0 EDADMP CO[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCC1 ZINC000613004975 449980630 /nfs/dbraw/zinc/98/06/30/449980630.db2.gz JHFJGGIGOYNABC-WFFDWFOESA-N 2 1 335.492 1.571 20 0 EDADMP COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000609625420 450074997 /nfs/dbraw/zinc/07/49/97/450074997.db2.gz JTCVGFBRSGDAAK-MRXNPFEDSA-N 2 1 339.480 1.393 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3ccncn3)C2)CC1 ZINC000613210612 450083045 /nfs/dbraw/zinc/08/30/45/450083045.db2.gz MXDOBCSGUHACAC-OAHLLOKOSA-N 2 1 331.464 1.257 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3ccncn3)C2)CC1 ZINC000613210612 450083049 /nfs/dbraw/zinc/08/30/49/450083049.db2.gz MXDOBCSGUHACAC-OAHLLOKOSA-N 2 1 331.464 1.257 20 0 EDADMP C[C@H]1C[N@@H+](CC(=O)N2CCN(C)CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585601 450086130 /nfs/dbraw/zinc/08/61/30/450086130.db2.gz FQZUKRQZDRFRQM-GJZGRUSLSA-N 2 1 339.480 1.060 20 0 EDADMP C[NH+](C)CCOCCNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000613284892 450117926 /nfs/dbraw/zinc/11/79/26/450117926.db2.gz JPCZFGCRTQPWOU-LJQANCHMSA-N 2 1 347.503 1.636 20 0 EDADMP COC(=O)[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@@H]1c1ccccc1 ZINC000595530798 450211158 /nfs/dbraw/zinc/21/11/58/450211158.db2.gz UGQUDLVFMUHHGD-RCCFBDPRSA-N 2 1 334.460 1.576 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@@H]1c1ccccc1 ZINC000595530798 450211160 /nfs/dbraw/zinc/21/11/60/450211160.db2.gz UGQUDLVFMUHHGD-RCCFBDPRSA-N 2 1 334.460 1.576 20 0 EDADMP COC(=O)[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C[C@@H]1c1ccccc1 ZINC000595530798 450211165 /nfs/dbraw/zinc/21/11/65/450211165.db2.gz UGQUDLVFMUHHGD-RCCFBDPRSA-N 2 1 334.460 1.576 20 0 EDADMP COC(=O)[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C[C@@H]1c1ccccc1 ZINC000595530798 450211169 /nfs/dbraw/zinc/21/11/69/450211169.db2.gz UGQUDLVFMUHHGD-RCCFBDPRSA-N 2 1 334.460 1.576 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000603430647 450298887 /nfs/dbraw/zinc/29/88/87/450298887.db2.gz AZSKATIUPXAMFV-NILFDRSVSA-N 2 1 333.432 1.193 20 0 EDADMP C[C@@H]1CC[C@@H](CN)[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1C ZINC000603434525 450300746 /nfs/dbraw/zinc/30/07/46/450300746.db2.gz RFZYABHYDYOEEM-VWYCJHECSA-N 2 1 338.374 1.212 20 0 EDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1C ZINC000603434525 450300752 /nfs/dbraw/zinc/30/07/52/450300752.db2.gz RFZYABHYDYOEEM-VWYCJHECSA-N 2 1 338.374 1.212 20 0 EDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1C ZINC000603434525 450300756 /nfs/dbraw/zinc/30/07/56/450300756.db2.gz RFZYABHYDYOEEM-VWYCJHECSA-N 2 1 338.374 1.212 20 0 EDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1C ZINC000603434525 450300760 /nfs/dbraw/zinc/30/07/60/450300760.db2.gz RFZYABHYDYOEEM-VWYCJHECSA-N 2 1 338.374 1.212 20 0 EDADMP C[NH+](C)CC1(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCCCC1 ZINC000620479392 450499036 /nfs/dbraw/zinc/49/90/36/450499036.db2.gz UMTWMYDJGCZQSM-KRWDZBQOSA-N 2 1 337.508 1.556 20 0 EDADMP CC(C)C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000623475594 450527892 /nfs/dbraw/zinc/52/78/92/450527892.db2.gz UAKUJIRUKTVNCH-HOTGVXAUSA-N 2 1 326.529 1.541 20 0 EDADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000623475594 450527893 /nfs/dbraw/zinc/52/78/93/450527893.db2.gz UAKUJIRUKTVNCH-HOTGVXAUSA-N 3 1 326.529 1.541 20 0 EDADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000623475594 450527894 /nfs/dbraw/zinc/52/78/94/450527894.db2.gz UAKUJIRUKTVNCH-HOTGVXAUSA-N 3 1 326.529 1.541 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)CC[N@@H+]1C ZINC000620722311 450531428 /nfs/dbraw/zinc/53/14/28/450531428.db2.gz NQHCHQMXEVDYTG-BHIYHBOVSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)CC[N@H+]1C ZINC000620722311 450531429 /nfs/dbraw/zinc/53/14/29/450531429.db2.gz NQHCHQMXEVDYTG-BHIYHBOVSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC[NH+]1C ZINC000620722311 450531431 /nfs/dbraw/zinc/53/14/31/450531431.db2.gz NQHCHQMXEVDYTG-BHIYHBOVSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC[NH+]1C ZINC000620722311 450531433 /nfs/dbraw/zinc/53/14/33/450531433.db2.gz NQHCHQMXEVDYTG-BHIYHBOVSA-N 2 1 344.503 1.259 20 0 EDADMP CC[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[NH+](C)C ZINC000620722679 450533119 /nfs/dbraw/zinc/53/31/19/450533119.db2.gz HGNLCRZZGRZPEP-QZTJIDSGSA-N 2 1 332.492 1.259 20 0 EDADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[NH+](C)C ZINC000620722679 450533120 /nfs/dbraw/zinc/53/31/20/450533120.db2.gz HGNLCRZZGRZPEP-QZTJIDSGSA-N 2 1 332.492 1.259 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)CC1(C)C ZINC000623650551 450559720 /nfs/dbraw/zinc/55/97/20/450559720.db2.gz MCCSQUVLDZTYQS-UONOGXRCSA-N 2 1 329.452 1.165 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000623722847 450572727 /nfs/dbraw/zinc/57/27/27/450572727.db2.gz XUVWRALQPCIIID-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000623722847 450572729 /nfs/dbraw/zinc/57/27/29/450572729.db2.gz XUVWRALQPCIIID-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC3CC3)C1)C2 ZINC000621110932 450583522 /nfs/dbraw/zinc/58/35/22/450583522.db2.gz YRZSKPHXYNHNIV-IRXDYDNUSA-N 2 1 330.476 1.992 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000621110932 450583526 /nfs/dbraw/zinc/58/35/26/450583526.db2.gz YRZSKPHXYNHNIV-IRXDYDNUSA-N 2 1 330.476 1.992 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000621154099 450601800 /nfs/dbraw/zinc/60/18/00/450601800.db2.gz FYTVGIFRZYOLAZ-QZTJIDSGSA-N 2 1 331.460 1.344 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000621154099 450601805 /nfs/dbraw/zinc/60/18/05/450601805.db2.gz FYTVGIFRZYOLAZ-QZTJIDSGSA-N 2 1 331.460 1.344 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000621154003 450602092 /nfs/dbraw/zinc/60/20/92/450602092.db2.gz DAMCQQXYRLYVMN-OALUTQOASA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000621154003 450602098 /nfs/dbraw/zinc/60/20/98/450602098.db2.gz DAMCQQXYRLYVMN-OALUTQOASA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000627310816 450639915 /nfs/dbraw/zinc/63/99/15/450639915.db2.gz DAMJIUQZYYBGFX-PBHICJAKSA-N 2 1 346.475 1.011 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627332498 450654799 /nfs/dbraw/zinc/65/47/99/450654799.db2.gz BHTOVMXJJBFLQS-OWCLPIDISA-N 2 1 338.496 1.014 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)N[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000633080548 450667224 /nfs/dbraw/zinc/66/72/24/450667224.db2.gz CVWHPKUZBRXCOR-ROUUACIJSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N[C@H]3CCC[NH+](C)C3)C2)cc1 ZINC000633080548 450667228 /nfs/dbraw/zinc/66/72/28/450667228.db2.gz CVWHPKUZBRXCOR-ROUUACIJSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@H]3CCC[NH+](C)C3)C2)cc1 ZINC000633080548 450667233 /nfs/dbraw/zinc/66/72/33/450667233.db2.gz CVWHPKUZBRXCOR-ROUUACIJSA-N 2 1 330.476 1.963 20 0 EDADMP CCC1([NH+](C)C)CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000633088396 450672647 /nfs/dbraw/zinc/67/26/47/450672647.db2.gz RWPNJSSLILBSSD-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000629570589 450742741 /nfs/dbraw/zinc/74/27/41/450742741.db2.gz DOQQEQZQAHCGHD-KRWDZBQOSA-N 2 1 337.439 1.797 20 0 EDADMP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629579972 450746761 /nfs/dbraw/zinc/74/67/61/450746761.db2.gz ZPQSYJMEXVUGBP-LBPRGKRZSA-N 2 1 329.391 1.391 20 0 EDADMP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629579972 450746763 /nfs/dbraw/zinc/74/67/63/450746763.db2.gz ZPQSYJMEXVUGBP-LBPRGKRZSA-N 2 1 329.391 1.391 20 0 EDADMP CC(C)[C@@H](NC(=O)C[N@H+](C)CCOCC[NH3+])c1ccc(F)cc1 ZINC000629580009 450747803 /nfs/dbraw/zinc/74/78/03/450747803.db2.gz RSYGKIPHPMDAFG-QGZVFWFLSA-N 2 1 325.428 1.546 20 0 EDADMP CC(C)[C@@H](NC(=O)C[N@@H+](C)CCOCC[NH3+])c1ccc(F)cc1 ZINC000629580009 450747805 /nfs/dbraw/zinc/74/78/05/450747805.db2.gz RSYGKIPHPMDAFG-QGZVFWFLSA-N 2 1 325.428 1.546 20 0 EDADMP CC1([NH+]2CCCC2)CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000633266307 450765597 /nfs/dbraw/zinc/76/55/97/450765597.db2.gz QNXVOXWVASXPPI-UHFFFAOYSA-N 2 1 338.496 1.369 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000631785512 450774439 /nfs/dbraw/zinc/77/44/39/450774439.db2.gz PGVWEHGPYHXODJ-OAGGEKHMSA-N 2 1 343.537 1.748 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC000631840508 450809318 /nfs/dbraw/zinc/80/93/18/450809318.db2.gz CPUGTGBXJRXQJK-VNHYZAJKSA-N 2 1 337.439 1.708 20 0 EDADMP [NH3+][C@@]12CCC[C@H]1CN(C(=O)CN1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000621683094 450831732 /nfs/dbraw/zinc/83/17/32/450831732.db2.gz PUANSACPUIUYJF-AZUAARDMSA-N 2 1 342.487 1.144 20 0 EDADMP Cc1ccc([C@@H](CNS(=O)(=O)CCC[NH+](C)C)[NH+]2CCCC2)o1 ZINC000631876314 450839876 /nfs/dbraw/zinc/83/98/76/450839876.db2.gz IRNFURQSKOTSDK-OAHLLOKOSA-N 2 1 343.493 1.596 20 0 EDADMP C[C@@H]1CN(C(=O)Cc2ccc(-n3ccnc3)cc2)C[C@H](C)[N@@H+]1CCO ZINC000633317793 450795855 /nfs/dbraw/zinc/79/58/55/450795855.db2.gz AFNUMIFYPXBLIH-IYBDPMFKSA-N 2 1 342.443 1.328 20 0 EDADMP C[C@@H]1CN(C(=O)Cc2ccc(-n3ccnc3)cc2)C[C@H](C)N1CCO ZINC000633317793 450795862 /nfs/dbraw/zinc/79/58/62/450795862.db2.gz AFNUMIFYPXBLIH-IYBDPMFKSA-N 2 1 342.443 1.328 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(OC)ns1 ZINC000621820906 450878433 /nfs/dbraw/zinc/87/84/33/450878433.db2.gz JULZFNKZAVRGOO-CYBMUJFWSA-N 2 1 340.493 1.640 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000629914416 450883337 /nfs/dbraw/zinc/88/33/37/450883337.db2.gz SMTJGESHFIWFHL-ROUUACIJSA-N 2 1 331.460 1.224 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000629914416 450883342 /nfs/dbraw/zinc/88/33/42/450883342.db2.gz SMTJGESHFIWFHL-ROUUACIJSA-N 2 1 331.460 1.224 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000629914416 450883346 /nfs/dbraw/zinc/88/33/46/450883346.db2.gz SMTJGESHFIWFHL-ROUUACIJSA-N 2 1 331.460 1.224 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631962206 450919449 /nfs/dbraw/zinc/91/94/49/450919449.db2.gz FNSRLPWIXPKWLK-INIZCTEOSA-N 2 1 331.526 1.656 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC3CC([NH+](C)C)C3)cc2F)CC1 ZINC000622010063 450985157 /nfs/dbraw/zinc/98/51/57/450985157.db2.gz UOWWFFGVSQAKCR-UHFFFAOYSA-N 2 1 348.466 1.790 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000635492185 450987562 /nfs/dbraw/zinc/98/75/62/450987562.db2.gz VULYSSUHSZXICG-IEBWSBKVSA-N 2 1 344.503 1.433 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626937124 451018424 /nfs/dbraw/zinc/01/84/24/451018424.db2.gz QKBKJESMNKOUEC-IYBDPMFKSA-N 2 1 340.512 1.552 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)CCOCC[NH3+])cc1F ZINC000626950341 451029711 /nfs/dbraw/zinc/02/97/11/451029711.db2.gz XXTJFFXGKLVEOF-UHFFFAOYSA-N 2 1 349.410 1.437 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000622144321 451065205 /nfs/dbraw/zinc/06/52/05/451065205.db2.gz VISQOTNNXVXAPE-INIZCTEOSA-N 2 1 334.464 1.520 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000632150972 451076125 /nfs/dbraw/zinc/07/61/25/451076125.db2.gz TZMBMGFGAWLROZ-HOTGVXAUSA-N 2 1 325.478 1.303 20 0 EDADMP CCN(CC[NH3+])C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626985059 451051688 /nfs/dbraw/zinc/05/16/88/451051688.db2.gz BICMLXFFVAAYOR-DOTOQJQBSA-N 2 1 334.464 1.266 20 0 EDADMP CCN(CC[NH3+])C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626985059 451051691 /nfs/dbraw/zinc/05/16/91/451051691.db2.gz BICMLXFFVAAYOR-DOTOQJQBSA-N 2 1 334.464 1.266 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000627176451 451165855 /nfs/dbraw/zinc/16/58/55/451165855.db2.gz UZJTVIRJCINXEU-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627194088 451179356 /nfs/dbraw/zinc/17/93/56/451179356.db2.gz UHLCFJJXRONUFT-WMZOPIPTSA-N 2 1 330.476 1.963 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000632301073 451183943 /nfs/dbraw/zinc/18/39/43/451183943.db2.gz LZKHVPJQLPOMQS-INIZCTEOSA-N 2 1 343.537 1.797 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000632301073 451183947 /nfs/dbraw/zinc/18/39/47/451183947.db2.gz LZKHVPJQLPOMQS-INIZCTEOSA-N 2 1 343.537 1.797 20 0 EDADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000635716541 451194736 /nfs/dbraw/zinc/19/47/36/451194736.db2.gz TXPSWFOVVNSEIZ-QGZVFWFLSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000635748387 451216382 /nfs/dbraw/zinc/21/63/82/451216382.db2.gz BZFCILLDQLYOCE-IAGOWNOFSA-N 2 1 347.507 1.491 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638127321 451298854 /nfs/dbraw/zinc/29/88/54/451298854.db2.gz CETNUONWIVZFQR-RBUKOAKNSA-N 2 1 346.519 1.636 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638127321 451298861 /nfs/dbraw/zinc/29/88/61/451298861.db2.gz CETNUONWIVZFQR-RBUKOAKNSA-N 2 1 346.519 1.636 20 0 EDADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638127321 451298867 /nfs/dbraw/zinc/29/88/67/451298867.db2.gz CETNUONWIVZFQR-RBUKOAKNSA-N 2 1 346.519 1.636 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638127321 451298870 /nfs/dbraw/zinc/29/88/70/451298870.db2.gz CETNUONWIVZFQR-RBUKOAKNSA-N 2 1 346.519 1.636 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N[C@H]1Cc2cncn2C1 ZINC000636556065 451298879 /nfs/dbraw/zinc/29/88/79/451298879.db2.gz MFMFOCJYXHTOEV-KRWDZBQOSA-N 2 1 339.443 1.555 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638127321 451298877 /nfs/dbraw/zinc/29/88/77/451298877.db2.gz CETNUONWIVZFQR-RBUKOAKNSA-N 2 1 346.519 1.636 20 0 EDADMP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000635863113 451309708 /nfs/dbraw/zinc/30/97/08/451309708.db2.gz VIHIVNBUBIDNBE-UHFFFAOYSA-N 2 1 325.497 1.583 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000636578169 451319409 /nfs/dbraw/zinc/31/94/09/451319409.db2.gz DQJJCSFZLNXHTB-RHSMWYFYSA-N 2 1 346.479 1.898 20 0 EDADMP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000635877988 451324517 /nfs/dbraw/zinc/32/45/17/451324517.db2.gz QNYAHYYKBRGMNT-HDICACEKSA-N 2 1 327.472 1.919 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N(C)Cc2ncc[nH]2)C1 ZINC000636548198 451288578 /nfs/dbraw/zinc/28/85/78/451288578.db2.gz DRCXJNDIYODCDL-GASCZTMLSA-N 2 1 349.479 1.242 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638201577 451352640 /nfs/dbraw/zinc/35/26/40/451352640.db2.gz DAKYRJBORPMPGD-SJLPKXTDSA-N 3 1 344.503 1.484 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000632513675 451358486 /nfs/dbraw/zinc/35/84/86/451358486.db2.gz KRFLKFIMWOAVCS-QGZVFWFLSA-N 2 1 339.505 1.522 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638213782 451358646 /nfs/dbraw/zinc/35/86/46/451358646.db2.gz OZMHMBTYWDRUHG-KPFFTGBYSA-N 2 1 345.487 1.639 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000638257036 451382492 /nfs/dbraw/zinc/38/24/92/451382492.db2.gz ZYVJCHIKVBOZLX-UWWQBHOKSA-N 2 1 333.451 1.977 20 0 EDADMP CO[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CCOCC1 ZINC000638184631 451344992 /nfs/dbraw/zinc/34/49/92/451344992.db2.gz ZGEMSGFGURBNSP-XMTFNYHQSA-N 2 1 326.481 1.612 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638288028 451405039 /nfs/dbraw/zinc/40/50/39/451405039.db2.gz YVHOGVHVJSLKFA-BPQIPLTHSA-N 2 1 332.492 1.244 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638288028 451405041 /nfs/dbraw/zinc/40/50/41/451405041.db2.gz YVHOGVHVJSLKFA-BPQIPLTHSA-N 2 1 332.492 1.244 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638288028 451405046 /nfs/dbraw/zinc/40/50/46/451405046.db2.gz YVHOGVHVJSLKFA-BPQIPLTHSA-N 2 1 332.492 1.244 20 0 EDADMP C[C@@H]1CN(CCNC(=O)Nc2cc(CN(C)C)ccn2)[C@@H](C)CO1 ZINC000640576513 451420380 /nfs/dbraw/zinc/42/03/80/451420380.db2.gz WEAYLYPPLAYKAN-UONOGXRCSA-N 2 1 335.452 1.374 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000638379081 451473859 /nfs/dbraw/zinc/47/38/59/451473859.db2.gz WPJQAKOSGVNYAE-DOTOQJQBSA-N 2 1 331.460 1.664 20 0 EDADMP O[C@@]1(C[NH2+]CCOC[C@H]2CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704709 451480346 /nfs/dbraw/zinc/48/03/46/451480346.db2.gz OJJCTLLACSYSNK-RBUKOAKNSA-N 2 1 334.460 1.266 20 0 EDADMP O[C@@]1(C[NH2+]CCOC[C@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704709 451480352 /nfs/dbraw/zinc/48/03/52/451480352.db2.gz OJJCTLLACSYSNK-RBUKOAKNSA-N 2 1 334.460 1.266 20 0 EDADMP CCNC(=O)C(C)(C)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634709958 451488635 /nfs/dbraw/zinc/48/86/35/451488635.db2.gz QMNNPHBGGWRIOM-LJQANCHMSA-N 2 1 333.476 1.375 20 0 EDADMP CCNC(=O)C(C)(C)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709958 451488640 /nfs/dbraw/zinc/48/86/40/451488640.db2.gz QMNNPHBGGWRIOM-LJQANCHMSA-N 2 1 333.476 1.375 20 0 EDADMP O[C@@]1(C[NH+]2CC(C3CCOCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634647797 451442026 /nfs/dbraw/zinc/44/20/26/451442026.db2.gz FWOVLVAREOPCDQ-FQEVSTJZSA-N 2 1 330.472 1.982 20 0 EDADMP O[C@@]1(C[NH+]2CC(C3CCOCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634647797 451442029 /nfs/dbraw/zinc/44/20/29/451442029.db2.gz FWOVLVAREOPCDQ-FQEVSTJZSA-N 2 1 330.472 1.982 20 0 EDADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000634729539 451510205 /nfs/dbraw/zinc/51/02/05/451510205.db2.gz NZUGDTZPQPQHQA-XJKSGUPXSA-N 2 1 340.489 1.238 20 0 EDADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000634729539 451510210 /nfs/dbraw/zinc/51/02/10/451510210.db2.gz NZUGDTZPQPQHQA-XJKSGUPXSA-N 2 1 340.489 1.238 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000638435111 451513914 /nfs/dbraw/zinc/51/39/14/451513914.db2.gz BHKLMCLXQLJYPH-HKUYNNGSSA-N 2 1 345.487 1.803 20 0 EDADMP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(=O)N1CCCC[C@H]1C ZINC000638490563 451542281 /nfs/dbraw/zinc/54/22/81/451542281.db2.gz YQNDYMWZEDOZGB-CABCVRRESA-N 2 1 325.497 1.601 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000636257018 451627391 /nfs/dbraw/zinc/62/73/91/451627391.db2.gz ZYWGJMKADORDJP-IRXDYDNUSA-N 2 1 331.460 1.728 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000636257018 451627396 /nfs/dbraw/zinc/62/73/96/451627396.db2.gz ZYWGJMKADORDJP-IRXDYDNUSA-N 2 1 331.460 1.728 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000636257018 451627400 /nfs/dbraw/zinc/62/74/00/451627400.db2.gz ZYWGJMKADORDJP-IRXDYDNUSA-N 2 1 331.460 1.728 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000636257018 451627404 /nfs/dbraw/zinc/62/74/04/451627404.db2.gz ZYWGJMKADORDJP-IRXDYDNUSA-N 2 1 331.460 1.728 20 0 EDADMP C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000637032460 451689333 /nfs/dbraw/zinc/68/93/33/451689333.db2.gz AYOPMUVLEYGUNA-HLLBOEOZSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+]1CC[C@@H](O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637032460 451689337 /nfs/dbraw/zinc/68/93/37/451689337.db2.gz AYOPMUVLEYGUNA-HLLBOEOZSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+]1CC[C@@H](O)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000637032460 451689341 /nfs/dbraw/zinc/68/93/41/451689341.db2.gz AYOPMUVLEYGUNA-HLLBOEOZSA-N 2 1 338.496 1.005 20 0 EDADMP Cn1nnnc1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638851234 451710679 /nfs/dbraw/zinc/71/06/79/451710679.db2.gz KQYABVRUIXNYJN-DOTOQJQBSA-N 2 1 326.448 1.710 20 0 EDADMP Cn1nnnc1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638851234 451710683 /nfs/dbraw/zinc/71/06/83/451710683.db2.gz KQYABVRUIXNYJN-DOTOQJQBSA-N 2 1 326.448 1.710 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638856936 451711966 /nfs/dbraw/zinc/71/19/66/451711966.db2.gz WJTQULSFLHFDFP-JQHSSLGASA-N 2 1 333.476 1.623 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000638858238 451713225 /nfs/dbraw/zinc/71/32/25/451713225.db2.gz ZHIBOGBNEZHWJI-NFBUACBFSA-N 2 1 345.487 1.638 20 0 EDADMP Cc1nnsc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000638873246 451715382 /nfs/dbraw/zinc/71/53/82/451715382.db2.gz OLMGSAVVMNAPKN-UHFFFAOYSA-N 2 1 333.461 1.428 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000637151127 451741393 /nfs/dbraw/zinc/74/13/93/451741393.db2.gz XPJDZCIHTUPMPA-BPQIPLTHSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC000637151127 451741395 /nfs/dbraw/zinc/74/13/95/451741395.db2.gz XPJDZCIHTUPMPA-BPQIPLTHSA-N 2 1 346.475 1.015 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@]3(OC)CCOC3)CC2)CC1 ZINC000639277370 451803050 /nfs/dbraw/zinc/80/30/50/451803050.db2.gz VEADEXROUGMITK-GOSISDBHSA-N 2 1 325.497 1.284 20 0 EDADMP O=C(NCCC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000653271652 451806996 /nfs/dbraw/zinc/80/69/96/451806996.db2.gz DBXCHISCLIBMOT-GOSISDBHSA-N 2 1 331.460 1.393 20 0 EDADMP O=C(NCCC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000653271652 451807001 /nfs/dbraw/zinc/80/70/01/451807001.db2.gz DBXCHISCLIBMOT-GOSISDBHSA-N 2 1 331.460 1.393 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)N(C)CC[NH+](C)C)cc1 ZINC000637384677 451814140 /nfs/dbraw/zinc/81/41/40/451814140.db2.gz ALDSIQBASASAMO-INIZCTEOSA-N 2 1 334.464 1.473 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)N(C)CC[NH+](C)C)cc1 ZINC000637384677 451814146 /nfs/dbraw/zinc/81/41/46/451814146.db2.gz ALDSIQBASASAMO-INIZCTEOSA-N 2 1 334.464 1.473 20 0 EDADMP CC[C@@H](O)C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000644525417 451840945 /nfs/dbraw/zinc/84/09/45/451840945.db2.gz IYUQCQBKSVUNDQ-QGZVFWFLSA-N 2 1 335.448 1.208 20 0 EDADMP OCCCCOc1ccccc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000639331750 451830825 /nfs/dbraw/zinc/83/08/25/451830825.db2.gz YTWINPCGZIEKTI-IBGZPJMESA-N 2 1 348.487 1.869 20 0 EDADMP COc1cc2[nH+]ccc(N3CC([N@H+]4CC[C@@H](O)C4)C3)c2cc1OC ZINC000651449234 451835260 /nfs/dbraw/zinc/83/52/60/451835260.db2.gz FTXFMJGUEINAKU-CYBMUJFWSA-N 2 1 329.400 1.507 20 0 EDADMP CNC(=O)[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639486771 451896143 /nfs/dbraw/zinc/89/61/43/451896143.db2.gz RSAMIMMNOTUQDC-IEBWSBKVSA-N 2 1 331.460 1.081 20 0 EDADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639486771 451896148 /nfs/dbraw/zinc/89/61/48/451896148.db2.gz RSAMIMMNOTUQDC-IEBWSBKVSA-N 2 1 331.460 1.081 20 0 EDADMP CNC(=O)[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639486771 451896152 /nfs/dbraw/zinc/89/61/52/451896152.db2.gz RSAMIMMNOTUQDC-IEBWSBKVSA-N 2 1 331.460 1.081 20 0 EDADMP CNC(=O)[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639486771 451896158 /nfs/dbraw/zinc/89/61/58/451896158.db2.gz RSAMIMMNOTUQDC-IEBWSBKVSA-N 2 1 331.460 1.081 20 0 EDADMP [NH3+]C[C@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000649279153 451950618 /nfs/dbraw/zinc/95/06/18/451950618.db2.gz ZGXPROSRSMPRKU-SJORKVTESA-N 2 1 335.423 1.191 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000639557656 451945291 /nfs/dbraw/zinc/94/52/91/451945291.db2.gz MGCCVDBBQNZYFX-UHFFFAOYSA-N 2 1 341.455 1.894 20 0 EDADMP CC1(OCC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C[NH2+]C1 ZINC000649283442 451956254 /nfs/dbraw/zinc/95/62/54/451956254.db2.gz AQCAMELONGBPIT-UHFFFAOYSA-N 2 1 335.423 1.239 20 0 EDADMP CC1(OCC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C[NH2+]C1 ZINC000649283442 451956263 /nfs/dbraw/zinc/95/62/63/451956263.db2.gz AQCAMELONGBPIT-UHFFFAOYSA-N 2 1 335.423 1.239 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)C[C@@H](C)O1 ZINC000649283894 451958105 /nfs/dbraw/zinc/95/81/05/451958105.db2.gz RJXXCYVEJNNUFD-UPJWGTAASA-N 2 1 333.423 1.235 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649308867 451986271 /nfs/dbraw/zinc/98/62/71/451986271.db2.gz DIKZHSNGLDTSBC-GJZGRUSLSA-N 2 1 337.489 1.312 20 0 EDADMP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000649321887 452002167 /nfs/dbraw/zinc/00/21/67/452002167.db2.gz SYJAHHKXOGWMKV-POAQFYNOSA-N 2 1 345.487 1.924 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000647009794 452003419 /nfs/dbraw/zinc/00/34/19/452003419.db2.gz IYZIBYWBEAFIKJ-NZSAHSFTSA-N 2 1 344.503 1.561 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)NCC[N@@H+]3CC=CCC3)cn2)CC1 ZINC000637663476 452006346 /nfs/dbraw/zinc/00/63/46/452006346.db2.gz DRCATMHOAYVVJL-UHFFFAOYSA-N 2 1 332.452 1.533 20 0 EDADMP CC[N@H+]1CCCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000637666462 452008444 /nfs/dbraw/zinc/00/84/44/452008444.db2.gz CNYUXYXGLLZHHV-UHFFFAOYSA-N 2 1 334.468 1.709 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649331935 452012779 /nfs/dbraw/zinc/01/27/79/452012779.db2.gz IQROPNHTGHHBHS-ZWKOTPCHSA-N 2 1 331.460 1.203 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000649350492 452033810 /nfs/dbraw/zinc/03/38/10/452033810.db2.gz IEUGDGASUYBQTE-PIIMJCKOSA-N 2 1 328.460 1.228 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649351775 452036060 /nfs/dbraw/zinc/03/60/60/452036060.db2.gz RDXDIKFQIIBCOS-GFCCVEGCSA-N 3 1 339.390 1.017 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000649362742 452043469 /nfs/dbraw/zinc/04/34/69/452043469.db2.gz GLYMFEUXWMFMCV-IEBWSBKVSA-N 2 1 342.487 1.894 20 0 EDADMP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000649362742 452043475 /nfs/dbraw/zinc/04/34/75/452043475.db2.gz GLYMFEUXWMFMCV-IEBWSBKVSA-N 2 1 342.487 1.894 20 0 EDADMP C[C@H](c1ccncc1)[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000649420766 452083287 /nfs/dbraw/zinc/08/32/87/452083287.db2.gz RKOQQGGZZDXAHY-XOKHGSTOSA-N 2 1 329.448 1.363 20 0 EDADMP [NH3+]C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000637797879 452087672 /nfs/dbraw/zinc/08/76/72/452087672.db2.gz GVMLUHWSSDDAMH-AZUAARDMSA-N 2 1 343.471 1.475 20 0 EDADMP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637827231 452103962 /nfs/dbraw/zinc/10/39/62/452103962.db2.gz OBMNNLGGZGUKKP-NLWGTHIKSA-N 2 1 343.471 1.393 20 0 EDADMP C[NH+](C)C[C@]1(O)CCCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639763459 452103980 /nfs/dbraw/zinc/10/39/80/452103980.db2.gz QSMIDBWCGGUKBH-WOJBJXKFSA-N 2 1 347.503 1.012 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639776801 452121575 /nfs/dbraw/zinc/12/15/75/452121575.db2.gz RVVIUBWUXGLDSG-IAGOWNOFSA-N 2 1 327.538 1.610 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639776801 452121581 /nfs/dbraw/zinc/12/15/81/452121581.db2.gz RVVIUBWUXGLDSG-IAGOWNOFSA-N 2 1 327.538 1.610 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639776801 452121587 /nfs/dbraw/zinc/12/15/87/452121587.db2.gz RVVIUBWUXGLDSG-IAGOWNOFSA-N 2 1 327.538 1.610 20 0 EDADMP O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000647538264 452270923 /nfs/dbraw/zinc/27/09/23/452270923.db2.gz KMOGYQMAGRXKKM-QGZVFWFLSA-N 2 1 337.489 1.892 20 0 EDADMP CC[C@](C)(C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000638033325 452284923 /nfs/dbraw/zinc/28/49/23/452284923.db2.gz CWUMGAQGLXOHHP-GOSISDBHSA-N 2 1 325.497 1.678 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000641808989 452288593 /nfs/dbraw/zinc/28/85/93/452288593.db2.gz VJXORBWKSMXFJM-CVEARBPZSA-N 2 1 327.432 1.204 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC23CC(C2)C[NH2+]3)cc1F ZINC000659443462 452291855 /nfs/dbraw/zinc/29/18/55/452291855.db2.gz UBTKYNMKBUIQKX-UHFFFAOYSA-N 2 1 343.406 1.871 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659453274 452302800 /nfs/dbraw/zinc/30/28/00/452302800.db2.gz IVBBQSBWLVPJOW-RRFJBIMHSA-N 2 1 328.476 1.968 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@@H](C)C1 ZINC000659456183 452308619 /nfs/dbraw/zinc/30/86/19/452308619.db2.gz IZLFRJXARVKZAQ-LSDHHAIUSA-N 2 1 328.501 1.502 20 0 EDADMP CCN(C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@@H+](C)C1 ZINC000663585243 452310264 /nfs/dbraw/zinc/31/02/64/452310264.db2.gz FUDLCIBCONDHDY-KRWDZBQOSA-N 2 1 348.491 1.863 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000639981615 452315412 /nfs/dbraw/zinc/31/54/12/452315412.db2.gz MTBGDFGNZSMCIP-KRWDZBQOSA-N 2 1 336.524 1.489 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000639987038 452317612 /nfs/dbraw/zinc/31/76/12/452317612.db2.gz VBJMKKFZCUKSPB-QGZVFWFLSA-N 2 1 340.508 1.883 20 0 EDADMP CCOC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665757202 452323866 /nfs/dbraw/zinc/32/38/66/452323866.db2.gz BEBYCJHREJAFHG-DLBZAZTESA-N 2 1 342.528 1.717 20 0 EDADMP CCOC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665757202 452323873 /nfs/dbraw/zinc/32/38/73/452323873.db2.gz BEBYCJHREJAFHG-DLBZAZTESA-N 2 1 342.528 1.717 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)[C@@]3(C[NH3+])CCCOC3)CC2)c1 ZINC000638051290 452324802 /nfs/dbraw/zinc/32/48/02/452324802.db2.gz DXPSAGNRTCFCPD-LJQANCHMSA-N 2 1 331.460 1.395 20 0 EDADMP C[C@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000659471237 452328748 /nfs/dbraw/zinc/32/87/48/452328748.db2.gz RKUWDOCFALJHJQ-UAGQMJEPSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659471237 452328758 /nfs/dbraw/zinc/32/87/58/452328758.db2.gz RKUWDOCFALJHJQ-UAGQMJEPSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1(O)CCCCCC1 ZINC000665758833 452329097 /nfs/dbraw/zinc/32/90/97/452329097.db2.gz QQFCEBMHUVHFEM-INIZCTEOSA-N 2 1 342.528 1.643 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1(O)CCCCCC1 ZINC000665758833 452329104 /nfs/dbraw/zinc/32/91/04/452329104.db2.gz QQFCEBMHUVHFEM-INIZCTEOSA-N 2 1 342.528 1.643 20 0 EDADMP Cc1ccc(CNC(=O)NCC23CC(C2)C[NH2+]3)c(N2CCCC2)[nH+]1 ZINC000659480783 452339238 /nfs/dbraw/zinc/33/92/38/452339238.db2.gz SLHXQIFLKCXFJT-UHFFFAOYSA-N 2 1 329.448 1.541 20 0 EDADMP C[C@@H](O)C[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665762581 452341205 /nfs/dbraw/zinc/34/12/05/452341205.db2.gz JECFUXDASDAIPI-GVDBMIGSSA-N 2 1 342.528 1.593 20 0 EDADMP C[C@@H](O)C[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665762581 452341214 /nfs/dbraw/zinc/34/12/14/452341214.db2.gz JECFUXDASDAIPI-GVDBMIGSSA-N 2 1 342.528 1.593 20 0 EDADMP CCO[C@@H]1CN(C(=O)NCC[N@H+]2CCCC[C@@H]2CC)C[C@H]1C[NH3+] ZINC000652154829 452346876 /nfs/dbraw/zinc/34/68/76/452346876.db2.gz PLABEXQDQLORDX-OWCLPIDISA-N 2 1 326.485 1.256 20 0 EDADMP C[NH+](C)CC1CCN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638066338 452369356 /nfs/dbraw/zinc/36/93/56/452369356.db2.gz GSFSODWNQRKFFO-SFHVURJKSA-N 2 1 332.492 1.246 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000638066338 452369367 /nfs/dbraw/zinc/36/93/67/452369367.db2.gz GSFSODWNQRKFFO-SFHVURJKSA-N 2 1 332.492 1.246 20 0 EDADMP CC[C@H](CNC(=O)c1cnc(C[NH3+])nc1)[N@H+]1CCc2ccccc2C1 ZINC000638069575 452373804 /nfs/dbraw/zinc/37/38/04/452373804.db2.gz QOWXULKSTNEMCU-QGZVFWFLSA-N 2 1 339.443 1.502 20 0 EDADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000638075153 452387413 /nfs/dbraw/zinc/38/74/13/452387413.db2.gz GORAPTHDPJXPME-IEBWSBKVSA-N 2 1 337.508 1.868 20 0 EDADMP CCN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000638080239 452396868 /nfs/dbraw/zinc/39/68/68/452396868.db2.gz SXRQMYWTJPIACC-PKOBYXMFSA-N 2 1 344.503 1.576 20 0 EDADMP CC[N@@H+](CCCNC(=O)NCCN1CC[NH2+]CC1)C1CCCCC1 ZINC000652201538 452398590 /nfs/dbraw/zinc/39/85/90/452398590.db2.gz IQZSQIJOSNPOIS-UHFFFAOYSA-N 2 1 339.528 1.236 20 0 EDADMP [NH3+][C@H]1CCC[C@@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659540430 452399403 /nfs/dbraw/zinc/39/94/03/452399403.db2.gz SWVVXHWZOZTSGX-ZJIFWQFVSA-N 2 1 336.480 1.199 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000652225112 452417151 /nfs/dbraw/zinc/41/71/51/452417151.db2.gz QHGGMCRGPNZCST-INIZCTEOSA-N 2 1 340.512 1.361 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654387810 452440524 /nfs/dbraw/zinc/44/05/24/452440524.db2.gz CSNPLQZDXJNBEK-VVLHAWIVSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654387810 452440531 /nfs/dbraw/zinc/44/05/31/452440531.db2.gz CSNPLQZDXJNBEK-VVLHAWIVSA-N 2 1 340.512 1.515 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652274876 452462497 /nfs/dbraw/zinc/46/24/97/452462497.db2.gz XTACEMKPDXFKBF-WBVHZDCISA-N 2 1 334.439 1.910 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(C[NH3+])cc3F)CC[C@H]21 ZINC000652276212 452463459 /nfs/dbraw/zinc/46/34/59/452463459.db2.gz MDVNIRNOUSQHPN-DOTOQJQBSA-N 2 1 334.439 1.910 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000655680201 452507362 /nfs/dbraw/zinc/50/73/62/452507362.db2.gz JOKXMGHTACDUCW-JKSUJKDBSA-N 2 1 326.485 1.007 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)C1 ZINC000652339784 452510108 /nfs/dbraw/zinc/51/01/08/452510108.db2.gz MLPFWVSYHWTGSE-HXUWFJFHSA-N 2 1 328.504 1.544 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)C1 ZINC000652339784 452510117 /nfs/dbraw/zinc/51/01/17/452510117.db2.gz MLPFWVSYHWTGSE-HXUWFJFHSA-N 3 1 328.504 1.544 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)C1 ZINC000652339784 452510123 /nfs/dbraw/zinc/51/01/23/452510123.db2.gz MLPFWVSYHWTGSE-HXUWFJFHSA-N 3 1 328.504 1.544 20 0 EDADMP C[C@H]1CC[N@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C[C@H]1C[NH3+] ZINC000652341354 452512873 /nfs/dbraw/zinc/51/28/73/452512873.db2.gz HUACJGYQDXUBMW-DZGCQCFKSA-N 2 1 337.489 1.544 20 0 EDADMP C[C@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C[C@H]1C[NH3+] ZINC000652341354 452512883 /nfs/dbraw/zinc/51/28/83/452512883.db2.gz HUACJGYQDXUBMW-DZGCQCFKSA-N 2 1 337.489 1.544 20 0 EDADMP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655690064 452513384 /nfs/dbraw/zinc/51/33/84/452513384.db2.gz UDEJWWJUSBSORB-PKOBYXMFSA-N 3 1 338.540 1.245 20 0 EDADMP C[C@@H]1CN(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000655698811 452519810 /nfs/dbraw/zinc/51/98/10/452519810.db2.gz WMNJBIFNNRJHHJ-SCTDSRPQSA-N 2 1 339.524 1.719 20 0 EDADMP CC1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652346069 452520621 /nfs/dbraw/zinc/52/06/21/452520621.db2.gz SKGZNVXUYKKUBU-MWOZMSIYSA-N 2 1 337.508 1.900 20 0 EDADMP CCCN(CCC)C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347219 452524051 /nfs/dbraw/zinc/52/40/51/452524051.db2.gz VYJVUUIXTXFYOT-YESZJQIVSA-N 2 1 325.497 1.853 20 0 EDADMP CO[C@@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC000657781769 452527214 /nfs/dbraw/zinc/52/72/14/452527214.db2.gz HUJZUWLKFMCVCP-SFHVURJKSA-N 2 1 347.507 1.913 20 0 EDADMP C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1nnc2n1CCCCC2 ZINC000655707871 452527134 /nfs/dbraw/zinc/52/71/34/452527134.db2.gz GNCNWFCEZJKBBC-QGZVFWFLSA-N 2 1 347.507 1.780 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NCCCOC1CCCCC1)C2 ZINC000652351523 452529198 /nfs/dbraw/zinc/52/91/98/452529198.db2.gz CKTJPYOOVWPJOP-LPHOPBHVSA-N 2 1 337.508 1.903 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCCCOC1CCCCC1)C2 ZINC000652351523 452529208 /nfs/dbraw/zinc/52/92/08/452529208.db2.gz CKTJPYOOVWPJOP-LPHOPBHVSA-N 2 1 337.508 1.903 20 0 EDADMP Cn1nc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000655757642 452562298 /nfs/dbraw/zinc/56/22/98/452562298.db2.gz WGTSIMCDVBLHHQ-MRXNPFEDSA-N 2 1 328.460 1.959 20 0 EDADMP C[NH+](C)CCOc1ccc(CNC2(CCO)CC[NH+](C)CC2)cc1 ZINC000655790862 452582986 /nfs/dbraw/zinc/58/29/86/452582986.db2.gz WFQLNVQRMOZIOV-UHFFFAOYSA-N 2 1 335.492 1.563 20 0 EDADMP C[NH+](C)CCOc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000655790862 452582993 /nfs/dbraw/zinc/58/29/93/452582993.db2.gz WFQLNVQRMOZIOV-UHFFFAOYSA-N 3 1 335.492 1.563 20 0 EDADMP Cc1cn2nc(N[C@H]3CC[N@H+](CCC[NH+]4CCCCC4)C3)ccc2n1 ZINC000647947571 452691300 /nfs/dbraw/zinc/69/13/00/452691300.db2.gz QSKIBTGFQOVRRQ-KRWDZBQOSA-N 2 1 342.491 2.400 20 0 EDADMP Cc1cn2nc(N[C@H]3CC[N@@H+](CCC[NH+]4CCCCC4)C3)ccc2n1 ZINC000647947571 452691305 /nfs/dbraw/zinc/69/13/05/452691305.db2.gz QSKIBTGFQOVRRQ-KRWDZBQOSA-N 2 1 342.491 2.400 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H](Cc2ccccc2)C1 ZINC000655931017 452700135 /nfs/dbraw/zinc/70/01/35/452700135.db2.gz FMUCIBLRHMJEDN-UONOGXRCSA-N 2 1 344.381 1.444 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H](Cc2ccccc2)C1 ZINC000655931017 452700143 /nfs/dbraw/zinc/70/01/43/452700143.db2.gz FMUCIBLRHMJEDN-UONOGXRCSA-N 2 1 344.381 1.444 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCc1noc2ccccc12 ZINC000655939216 452707932 /nfs/dbraw/zinc/70/79/32/452707932.db2.gz MIDWVJXWNVZORI-AWEZNQCLSA-N 2 1 330.432 1.690 20 0 EDADMP c1ccc(-n2nnnc2C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976415 452721162 /nfs/dbraw/zinc/72/11/62/452721162.db2.gz OBLABFRUVKGFHC-HOTGVXAUSA-N 2 1 326.448 1.874 20 0 EDADMP c1ccc(-n2nnnc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976415 452721170 /nfs/dbraw/zinc/72/11/70/452721170.db2.gz OBLABFRUVKGFHC-HOTGVXAUSA-N 2 1 326.448 1.874 20 0 EDADMP C[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649787 452741035 /nfs/dbraw/zinc/74/10/35/452741035.db2.gz NNBBBQJNCKQTDS-OAGGEKHMSA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649787 452741044 /nfs/dbraw/zinc/74/10/44/452741044.db2.gz NNBBBQJNCKQTDS-OAGGEKHMSA-N 2 1 340.512 1.467 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000655969937 452749994 /nfs/dbraw/zinc/74/99/94/452749994.db2.gz DOUZXCVOBLXDGJ-OAGGEKHMSA-N 2 1 340.512 1.658 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000655969937 452749998 /nfs/dbraw/zinc/74/99/98/452749998.db2.gz DOUZXCVOBLXDGJ-OAGGEKHMSA-N 2 1 340.512 1.658 20 0 EDADMP CCN(C(=O)NC[C@H]1CCC[NH+]1CCOC)[C@@H]1CC[N@@H+](CC)C1 ZINC000664066296 452760203 /nfs/dbraw/zinc/76/02/03/452760203.db2.gz UGZRSVXDOIBWIC-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCN(C(=O)NC[C@H]1CCC[N@@H+]1CCOC)[C@@H]1CC[NH+](CC)C1 ZINC000664066296 452760204 /nfs/dbraw/zinc/76/02/04/452760204.db2.gz UGZRSVXDOIBWIC-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCN(C(=O)NC[C@H]1CCC[N@H+]1CCOC)[C@@H]1CC[NH+](CC)C1 ZINC000664066296 452760208 /nfs/dbraw/zinc/76/02/08/452760208.db2.gz UGZRSVXDOIBWIC-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000654657140 452770312 /nfs/dbraw/zinc/77/03/12/452770312.db2.gz VGOIRPIUZUNBIP-HDICACEKSA-N 2 1 330.476 1.854 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664076815 452771795 /nfs/dbraw/zinc/77/17/95/452771795.db2.gz KZEPPGHDFFCEMC-DLBZAZTESA-N 2 1 341.544 1.432 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000664076815 452771800 /nfs/dbraw/zinc/77/18/00/452771800.db2.gz KZEPPGHDFFCEMC-DLBZAZTESA-N 3 1 341.544 1.432 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000664076815 452771808 /nfs/dbraw/zinc/77/18/08/452771808.db2.gz KZEPPGHDFFCEMC-DLBZAZTESA-N 3 1 341.544 1.432 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664076815 452771815 /nfs/dbraw/zinc/77/18/15/452771815.db2.gz KZEPPGHDFFCEMC-DLBZAZTESA-N 3 1 341.544 1.432 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664076815 452771823 /nfs/dbraw/zinc/77/18/23/452771823.db2.gz KZEPPGHDFFCEMC-DLBZAZTESA-N 3 1 341.544 1.432 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664077949 452772668 /nfs/dbraw/zinc/77/26/68/452772668.db2.gz VNKVTCDPGHGBBR-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000658260263 452815319 /nfs/dbraw/zinc/81/53/19/452815319.db2.gz IAOOHROROMCGLQ-MRXNPFEDSA-N 2 1 346.475 1.676 20 0 EDADMP C[NH+]1CCC(CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000643934581 452828533 /nfs/dbraw/zinc/82/85/33/452828533.db2.gz PDCUKZNTKBIIGH-UHFFFAOYSA-N 2 1 344.503 1.657 20 0 EDADMP CCN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000658356000 452862082 /nfs/dbraw/zinc/86/20/82/452862082.db2.gz GCJQIIPDDNHNPP-MRXNPFEDSA-N 2 1 332.448 1.239 20 0 EDADMP CCN(C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000658362592 452874635 /nfs/dbraw/zinc/87/46/35/452874635.db2.gz RUCQDXQXPVLFSN-MRXNPFEDSA-N 2 1 346.475 1.548 20 0 EDADMP [NH3+]C1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)Cc2ccccc2C1 ZINC000648167943 452878759 /nfs/dbraw/zinc/87/87/59/452878759.db2.gz JUCUUANELNCDTQ-HKUYNNGSSA-N 2 1 339.483 1.958 20 0 EDADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccn(C(C)(C)C)n3)C2)CC1 ZINC000654775384 452907125 /nfs/dbraw/zinc/90/71/25/452907125.db2.gz KUTJTKVOMPTFFH-CQSZACIVSA-N 2 1 333.480 1.536 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccn(C(C)(C)C)n3)C2)CC1 ZINC000654775384 452907133 /nfs/dbraw/zinc/90/71/33/452907133.db2.gz KUTJTKVOMPTFFH-CQSZACIVSA-N 2 1 333.480 1.536 20 0 EDADMP C[NH+](C)CCC[N@H+](C)CCNc1cc(C(F)(F)F)nc2ncnn21 ZINC000664247334 452927425 /nfs/dbraw/zinc/92/74/25/452927425.db2.gz KDGRJEKSELEYFI-UHFFFAOYSA-N 2 1 345.373 1.439 20 0 EDADMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(C(F)(F)F)nc2ncnn21 ZINC000664247334 452927431 /nfs/dbraw/zinc/92/74/31/452927431.db2.gz KDGRJEKSELEYFI-UHFFFAOYSA-N 2 1 345.373 1.439 20 0 EDADMP CC1(C)C[NH2+][C@H]1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000645955476 452934686 /nfs/dbraw/zinc/93/46/86/452934686.db2.gz ZQJQANLJLZWGSH-HNNXBMFYSA-N 2 1 337.508 1.914 20 0 EDADMP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000645977542 452965720 /nfs/dbraw/zinc/96/57/20/452965720.db2.gz GAAWDSAGYPHWLH-IXDOHACOSA-N 2 1 336.524 1.297 20 0 EDADMP C[C@H](CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000645977542 452965731 /nfs/dbraw/zinc/96/57/31/452965731.db2.gz GAAWDSAGYPHWLH-IXDOHACOSA-N 2 1 336.524 1.297 20 0 EDADMP CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1CCOCC1 ZINC000664288574 452967881 /nfs/dbraw/zinc/96/78/81/452967881.db2.gz SOKQIMHDGIAPEM-DOTOQJQBSA-N 2 1 342.528 1.763 20 0 EDADMP CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1CCOCC1 ZINC000664288574 452967886 /nfs/dbraw/zinc/96/78/86/452967886.db2.gz SOKQIMHDGIAPEM-DOTOQJQBSA-N 2 1 342.528 1.763 20 0 EDADMP CCC[N@@H+](C)CC(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000652813607 452972903 /nfs/dbraw/zinc/97/29/03/452972903.db2.gz HPOWIBZEMIWJHG-MOPGFXCFSA-N 2 1 345.487 1.830 20 0 EDADMP CCC[NH+](C)CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000652813607 452972909 /nfs/dbraw/zinc/97/29/09/452972909.db2.gz HPOWIBZEMIWJHG-MOPGFXCFSA-N 2 1 345.487 1.830 20 0 EDADMP CCC[NH+](C)CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000652813607 452972915 /nfs/dbraw/zinc/97/29/15/452972915.db2.gz HPOWIBZEMIWJHG-MOPGFXCFSA-N 2 1 345.487 1.830 20 0 EDADMP Clc1cccc(CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662259503 452987723 /nfs/dbraw/zinc/98/77/23/452987723.db2.gz YGQRHWSCFWXLGW-QGZVFWFLSA-N 2 1 335.879 1.979 20 0 EDADMP CCCCOCCNC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295564 453017886 /nfs/dbraw/zinc/01/78/86/453017886.db2.gz GWPCOOOVLRWTOO-KRWDZBQOSA-N 2 1 325.497 1.631 20 0 EDADMP Cc1cc(=O)n2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)sc2n1 ZINC000662297857 453020005 /nfs/dbraw/zinc/02/00/05/453020005.db2.gz SLQFDLBZXRZOFI-CQSZACIVSA-N 2 1 347.488 1.671 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2F)CCO1 ZINC000662319393 453035204 /nfs/dbraw/zinc/03/52/04/453035204.db2.gz MEXPEGOYXXVCQJ-JKSUJKDBSA-N 2 1 340.439 1.608 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2F)CCO1 ZINC000662319393 453035212 /nfs/dbraw/zinc/03/52/12/453035212.db2.gz MEXPEGOYXXVCQJ-JKSUJKDBSA-N 2 1 340.439 1.608 20 0 EDADMP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666665018 453052077 /nfs/dbraw/zinc/05/20/77/453052077.db2.gz RTXJJTZGELIWPS-OAHLLOKOSA-N 2 1 338.496 1.149 20 0 EDADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662336722 453053466 /nfs/dbraw/zinc/05/34/66/453053466.db2.gz GCBUVUYMQAERIS-DLBZAZTESA-N 3 1 346.523 1.388 20 0 EDADMP C[N@H+](CCNC(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1)C1CC1 ZINC000650868633 453070632 /nfs/dbraw/zinc/07/06/32/453070632.db2.gz LLKGYVRHWRMGSO-SFHVURJKSA-N 2 1 330.476 1.649 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1)C1CC1 ZINC000650868633 453070638 /nfs/dbraw/zinc/07/06/38/453070638.db2.gz LLKGYVRHWRMGSO-SFHVURJKSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+](CCNC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)C1CC1 ZINC000650868633 453070644 /nfs/dbraw/zinc/07/06/44/453070644.db2.gz LLKGYVRHWRMGSO-SFHVURJKSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+](CCNC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)C1CC1 ZINC000650868633 453070648 /nfs/dbraw/zinc/07/06/48/453070648.db2.gz LLKGYVRHWRMGSO-SFHVURJKSA-N 2 1 330.476 1.649 20 0 EDADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660156854 453090921 /nfs/dbraw/zinc/09/09/21/453090921.db2.gz SCZJMAIVEAJXSA-MTHXSQLBSA-N 2 1 348.535 1.392 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)C[C@@H](C)[NH2+]1 ZINC000662415995 453126267 /nfs/dbraw/zinc/12/62/67/453126267.db2.gz PQBNMUJQVISTKS-GIPNMCIBSA-N 2 1 326.238 1.658 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662428542 453135159 /nfs/dbraw/zinc/13/51/59/453135159.db2.gz FMLFGYPSIAYTEO-GJZGRUSLSA-N 2 1 333.480 1.871 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc4c3C[NH2+]C4)CC2)C1 ZINC000662463452 453172414 /nfs/dbraw/zinc/17/24/14/453172414.db2.gz ZXYNRTOPPRVIRA-MRXNPFEDSA-N 2 1 328.460 1.142 20 0 EDADMP C[N@H+]1CCCN(C(=O)C[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000644249996 453198865 /nfs/dbraw/zinc/19/88/65/453198865.db2.gz JYUKLCWLVYWLMI-FQEVSTJZSA-N 2 1 345.487 1.568 20 0 EDADMP C[NH+]1CCCN(C(=O)C[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000644249996 453198873 /nfs/dbraw/zinc/19/88/73/453198873.db2.gz JYUKLCWLVYWLMI-FQEVSTJZSA-N 2 1 345.487 1.568 20 0 EDADMP C[NH+]1CCCN(C(=O)C[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000644249996 453198881 /nfs/dbraw/zinc/19/88/81/453198881.db2.gz JYUKLCWLVYWLMI-FQEVSTJZSA-N 2 1 345.487 1.568 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662498611 453214461 /nfs/dbraw/zinc/21/44/61/453214461.db2.gz RMZKSYJWLVGKQK-CQSZACIVSA-N 2 1 334.464 1.849 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000662526900 453246825 /nfs/dbraw/zinc/24/68/25/453246825.db2.gz MFOWEBNHAQXFTG-KRWDZBQOSA-N 2 1 326.529 1.387 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000662531855 453255487 /nfs/dbraw/zinc/25/54/87/453255487.db2.gz KBHFRLRGHVNFNB-DAYGRLMNSA-N 2 1 331.460 1.789 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000662531855 453255493 /nfs/dbraw/zinc/25/54/93/453255493.db2.gz KBHFRLRGHVNFNB-DAYGRLMNSA-N 2 1 331.460 1.789 20 0 EDADMP C[C@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000651091522 453261397 /nfs/dbraw/zinc/26/13/97/453261397.db2.gz JDBYZLQNKVFRAE-BMGDILEWSA-N 2 1 346.475 1.138 20 0 EDADMP C[C@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000651091522 453261399 /nfs/dbraw/zinc/26/13/99/453261399.db2.gz JDBYZLQNKVFRAE-BMGDILEWSA-N 2 1 346.475 1.138 20 0 EDADMP Cc1nnc([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000664658925 453293439 /nfs/dbraw/zinc/29/34/39/453293439.db2.gz HPMSIHWLLSPTMG-RYUDHWBXSA-N 2 1 342.513 1.479 20 0 EDADMP Cc1nnc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000664658925 453293449 /nfs/dbraw/zinc/29/34/49/453293449.db2.gz HPMSIHWLLSPTMG-RYUDHWBXSA-N 2 1 342.513 1.479 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653109187 453293703 /nfs/dbraw/zinc/29/37/03/453293703.db2.gz WVPMIDMQAMJBKX-OALUTQOASA-N 2 1 343.471 1.666 20 0 EDADMP [NH3+][C@H](C(=O)NCCC1CC[NH2+]CC1)c1ccccc1Br ZINC000662584062 453312608 /nfs/dbraw/zinc/31/26/08/453312608.db2.gz KVDAMWSKTOIYPA-AWEZNQCLSA-N 2 1 340.265 1.955 20 0 EDADMP C[C@H]1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000653122695 453313015 /nfs/dbraw/zinc/31/30/15/453313015.db2.gz AYKSPWKTHNQJDZ-WMZOPIPTSA-N 2 1 332.492 1.388 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998316 453320399 /nfs/dbraw/zinc/32/03/99/453320399.db2.gz NMWPLSVUFQTYKT-MRXNPFEDSA-N 2 1 331.460 1.918 20 0 EDADMP CC(C)c1nn(C)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000666996103 453320507 /nfs/dbraw/zinc/32/05/07/453320507.db2.gz JPPDZZGWPPAUJX-AWEZNQCLSA-N 2 1 338.500 1.937 20 0 EDADMP CC(C)c1nn(C)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000666996103 453320515 /nfs/dbraw/zinc/32/05/15/453320515.db2.gz JPPDZZGWPPAUJX-AWEZNQCLSA-N 2 1 338.500 1.937 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC(C[NH+]2CCOCC2)C1 ZINC000646356501 453342548 /nfs/dbraw/zinc/34/25/48/453342548.db2.gz CCGMWXUKWZAKJX-IBGZPJMESA-N 2 1 343.471 1.442 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC(C[NH+]2CCOCC2)C1 ZINC000646356501 453342555 /nfs/dbraw/zinc/34/25/55/453342555.db2.gz CCGMWXUKWZAKJX-IBGZPJMESA-N 2 1 343.471 1.442 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@@H]1c1ccc(Cl)cc1 ZINC000653154197 453342951 /nfs/dbraw/zinc/34/29/51/453342951.db2.gz LDHNBIRLMNAXSW-MBGYTDRXSA-N 2 1 349.862 1.437 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@@H]1c1ccc(Cl)cc1 ZINC000653154197 453342957 /nfs/dbraw/zinc/34/29/57/453342957.db2.gz LDHNBIRLMNAXSW-MBGYTDRXSA-N 2 1 349.862 1.437 20 0 EDADMP CON1CCC(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC000667054504 453370286 /nfs/dbraw/zinc/37/02/86/453370286.db2.gz KUFMJMUYYWVFFX-UHFFFAOYSA-N 2 1 347.463 1.435 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000662668051 453382622 /nfs/dbraw/zinc/38/26/22/453382622.db2.gz HHVJZXOZILIBTN-WMZOPIPTSA-N 2 1 345.491 1.944 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662689196 453410282 /nfs/dbraw/zinc/41/02/82/453410282.db2.gz UQIWZKJRCUNJNF-UKRRQHHQSA-N 2 1 345.451 1.164 20 0 EDADMP [NH3+]C1(CC(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)CC1 ZINC000662703139 453425772 /nfs/dbraw/zinc/42/57/72/453425772.db2.gz PVLQVAVNUCTUOM-UHFFFAOYSA-N 2 1 342.443 1.793 20 0 EDADMP C[C@H](CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@H]1CCC[NH2+]C1 ZINC000662705746 453429034 /nfs/dbraw/zinc/42/90/34/453429034.db2.gz SSGUVPMEJWIIJD-XMTFNYHQSA-N 2 1 349.519 1.772 20 0 EDADMP CCN(C(=O)C(=O)NCCC[NH+](C)CC(C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000658820096 453435382 /nfs/dbraw/zinc/43/53/82/453435382.db2.gz CCGBOICFONDNML-INIZCTEOSA-N 2 1 340.512 1.023 20 0 EDADMP CCN(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)[C@H]1CC[NH+](CC)C1 ZINC000658820096 453435391 /nfs/dbraw/zinc/43/53/91/453435391.db2.gz CCGBOICFONDNML-INIZCTEOSA-N 2 1 340.512 1.023 20 0 EDADMP CCN(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)[C@H]1CC[NH+](CC)C1 ZINC000658820096 453435403 /nfs/dbraw/zinc/43/54/03/453435403.db2.gz CCGBOICFONDNML-INIZCTEOSA-N 2 1 340.512 1.023 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000662717925 453441983 /nfs/dbraw/zinc/44/19/83/453441983.db2.gz DVABZGUNBBZGMD-NRSFXHEJSA-N 2 1 331.460 1.520 20 0 EDADMP C[C@@]1(C[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]C1 ZINC000656787692 453448206 /nfs/dbraw/zinc/44/82/06/453448206.db2.gz RUEVVWQVAFLBCB-JTDSTZFVSA-N 2 1 327.428 1.103 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000662726198 453452506 /nfs/dbraw/zinc/45/25/06/453452506.db2.gz FRHOUVHHRBDMGO-OQIJWPOYSA-N 2 1 345.487 1.862 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])c2)C[C@H](C)O1 ZINC000662738120 453462569 /nfs/dbraw/zinc/46/25/69/453462569.db2.gz GWOIPYWCTKQKTN-LTCOOKNTSA-N 2 1 347.459 1.598 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])c2)C[C@H](C)O1 ZINC000662738120 453462575 /nfs/dbraw/zinc/46/25/75/453462575.db2.gz GWOIPYWCTKQKTN-LTCOOKNTSA-N 2 1 347.459 1.598 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000662741133 453466553 /nfs/dbraw/zinc/46/65/53/453466553.db2.gz CSZFLPDPBNWBFG-SFHVURJKSA-N 2 1 344.503 1.438 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000662741133 453466560 /nfs/dbraw/zinc/46/65/60/453466560.db2.gz CSZFLPDPBNWBFG-SFHVURJKSA-N 2 1 344.503 1.438 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCCSC1 ZINC000664903038 453472875 /nfs/dbraw/zinc/47/28/75/453472875.db2.gz ATMDINBLBNHYSB-GJZGRUSLSA-N 2 1 330.542 1.701 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCCSC1 ZINC000664903038 453472885 /nfs/dbraw/zinc/47/28/85/453472885.db2.gz ATMDINBLBNHYSB-GJZGRUSLSA-N 2 1 330.542 1.701 20 0 EDADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1nnnn1-c1ccccc1)C2 ZINC000660653786 453490518 /nfs/dbraw/zinc/49/05/18/453490518.db2.gz ATOVRDSRXRJXOJ-SFHVURJKSA-N 2 1 326.448 1.623 20 0 EDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1nnnn1-c1ccccc1)C2 ZINC000660653786 453490525 /nfs/dbraw/zinc/49/05/25/453490525.db2.gz ATOVRDSRXRJXOJ-SFHVURJKSA-N 2 1 326.448 1.623 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000660653786 453490531 /nfs/dbraw/zinc/49/05/31/453490531.db2.gz ATOVRDSRXRJXOJ-SFHVURJKSA-N 2 1 326.448 1.623 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000660653786 453490539 /nfs/dbraw/zinc/49/05/39/453490539.db2.gz ATOVRDSRXRJXOJ-SFHVURJKSA-N 2 1 326.448 1.623 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000660658112 453494236 /nfs/dbraw/zinc/49/42/36/453494236.db2.gz CIYUWTSZELKAQA-LJQANCHMSA-N 2 1 336.524 1.393 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000660690328 453516797 /nfs/dbraw/zinc/51/67/97/453516797.db2.gz AQIIJDDHASDUFG-QGZVFWFLSA-N 2 1 329.448 1.821 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000660690328 453516807 /nfs/dbraw/zinc/51/68/07/453516807.db2.gz AQIIJDDHASDUFG-QGZVFWFLSA-N 2 1 329.448 1.821 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C[C@H](C)O1 ZINC000662791797 453525461 /nfs/dbraw/zinc/52/54/61/453525461.db2.gz LWQKNMLJDDINLL-SCRDCRAPSA-N 2 1 337.386 1.096 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C[C@H](C)O1 ZINC000662791797 453525466 /nfs/dbraw/zinc/52/54/66/453525466.db2.gz LWQKNMLJDDINLL-SCRDCRAPSA-N 2 1 337.386 1.096 20 0 EDADMP CN1CCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)[C@H](C[NH3+])C1 ZINC000667279419 453530041 /nfs/dbraw/zinc/53/00/41/453530041.db2.gz WALSRSLLJHRQLC-SNVBAGLBSA-N 2 1 338.362 1.607 20 0 EDADMP Cc1c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)nnn1C1CC[NH2+]CC1 ZINC000662838721 453563837 /nfs/dbraw/zinc/56/38/37/453563837.db2.gz NXEFTPRJBDXUOD-JKSUJKDBSA-N 2 1 346.479 1.258 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC[NH2+]1 ZINC000662857689 453574257 /nfs/dbraw/zinc/57/42/57/453574257.db2.gz CEPRJASWEJIAJS-JCGIZDLHSA-N 2 1 331.460 1.258 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659038771 453592999 /nfs/dbraw/zinc/59/29/99/453592999.db2.gz CHLKLEFATKGMQV-IAGOWNOFSA-N 2 1 332.448 1.953 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660886709 453632005 /nfs/dbraw/zinc/63/20/05/453632005.db2.gz HAUWYCGVDYBWJK-KDOFPFPSSA-N 2 1 334.508 1.890 20 0 EDADMP CC(C)CCO[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000663223084 453732373 /nfs/dbraw/zinc/73/23/73/453732373.db2.gz OXALJVVGSVVSJB-CVEARBPZSA-N 2 1 339.480 1.203 20 0 EDADMP CC(C)CCO[C@@H]1CC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000663223084 453732376 /nfs/dbraw/zinc/73/23/76/453732376.db2.gz OXALJVVGSVVSJB-CVEARBPZSA-N 2 1 339.480 1.203 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000663404019 453790625 /nfs/dbraw/zinc/79/06/25/453790625.db2.gz UBLKLWBBHYBLIG-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663498439 453810502 /nfs/dbraw/zinc/81/05/02/453810502.db2.gz SRCRIYWVDFJTBD-VHDGCEQUSA-N 3 1 336.505 1.650 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663498439 453810504 /nfs/dbraw/zinc/81/05/04/453810504.db2.gz SRCRIYWVDFJTBD-VHDGCEQUSA-N 3 1 336.505 1.650 20 0 EDADMP Nc1ncc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000663513736 453813439 /nfs/dbraw/zinc/81/34/39/453813439.db2.gz VRFUMFNLOCVGIF-GFCCVEGCSA-N 2 1 347.492 1.238 20 0 EDADMP C[C@H](NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676246061 486705918 /nfs/dbraw/zinc/70/59/18/486705918.db2.gz QGDUVUDEOCGYGK-UAGQMJEPSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246061 486705921 /nfs/dbraw/zinc/70/59/21/486705921.db2.gz QGDUVUDEOCGYGK-UAGQMJEPSA-N 2 1 340.512 1.515 20 0 EDADMP O=C(NCC[NH+]1CCCC1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000680176655 486715444 /nfs/dbraw/zinc/71/54/44/486715444.db2.gz LBMFNLAKJFEZPF-GOSISDBHSA-N 2 1 331.460 1.396 20 0 EDADMP C[NH2+]CCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000417996503 486820739 /nfs/dbraw/zinc/82/07/39/486820739.db2.gz SLRLTJOWABLIGL-ZWKOTPCHSA-N 2 1 346.475 1.834 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000683849796 486839885 /nfs/dbraw/zinc/83/98/85/486839885.db2.gz BQDXVWDNEMEYHT-MSOLQXFVSA-N 2 1 334.508 1.240 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000683989092 486899642 /nfs/dbraw/zinc/89/96/42/486899642.db2.gz VQIZTQVZADJNDY-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000683989092 486899646 /nfs/dbraw/zinc/89/96/46/486899646.db2.gz VQIZTQVZADJNDY-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@@H]1CCOC1 ZINC000681208997 486973439 /nfs/dbraw/zinc/97/34/39/486973439.db2.gz QUUUBBVEUZBXJR-WMZOPIPTSA-N 2 1 333.476 1.764 20 0 EDADMP CC[NH+]1CCN(c2nc(N3CC[N@H+](CC)[C@@H](C)C3)ncc2C)C[C@H]1C ZINC000677153821 486987005 /nfs/dbraw/zinc/98/70/05/486987005.db2.gz WIPKSKOGYACEAC-SJORKVTESA-N 2 1 346.523 1.846 20 0 EDADMP CC[NH+]1CCN(c2ncc(C)c(N3CC[N@H+](CC)[C@H](C)C3)n2)C[C@@H]1C ZINC000677153821 486987010 /nfs/dbraw/zinc/98/70/10/486987010.db2.gz WIPKSKOGYACEAC-SJORKVTESA-N 2 1 346.523 1.846 20 0 EDADMP CC[NH+]1CCN(c2ncc(C)c(N3CC[N@@H+](CC)[C@H](C)C3)n2)C[C@@H]1C ZINC000677153821 486987012 /nfs/dbraw/zinc/98/70/12/486987012.db2.gz WIPKSKOGYACEAC-SJORKVTESA-N 2 1 346.523 1.846 20 0 EDADMP CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@@H]1C ZINC000677197964 487007150 /nfs/dbraw/zinc/00/71/50/487007150.db2.gz ZHXQGUZTNRTKCG-KRWDZBQOSA-N 2 1 345.491 1.146 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000684436871 487059422 /nfs/dbraw/zinc/05/94/22/487059422.db2.gz NCKXZTOEYCEGCW-OAHLLOKOSA-N 2 1 342.447 1.437 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000684436871 487059427 /nfs/dbraw/zinc/05/94/27/487059427.db2.gz NCKXZTOEYCEGCW-OAHLLOKOSA-N 2 1 342.447 1.437 20 0 EDADMP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000673560092 487061517 /nfs/dbraw/zinc/06/15/17/487061517.db2.gz KVUIQXPATCUDOK-OAHLLOKOSA-N 2 1 349.479 1.163 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(Cc3ccnn3-c3cc[nH+]cc3)[C@H]2C1 ZINC000668193687 487138167 /nfs/dbraw/zinc/13/81/67/487138167.db2.gz MARBXBJCZOSDAJ-ZWKOTPCHSA-N 2 1 327.432 1.562 20 0 EDADMP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000677863560 487184902 /nfs/dbraw/zinc/18/49/02/487184902.db2.gz PRXCGRYPZGCATD-LJQANCHMSA-N 2 1 348.535 1.491 20 0 EDADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000677981100 487218378 /nfs/dbraw/zinc/21/83/78/487218378.db2.gz UOMSOTKTJDFXPZ-GOSISDBHSA-N 2 1 335.492 1.432 20 0 EDADMP C[C@@H](NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000674400609 487252185 /nfs/dbraw/zinc/25/21/85/487252185.db2.gz SUWUDJOMJOCPNF-INMHGKMJSA-N 2 1 338.496 1.079 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000681926812 487252345 /nfs/dbraw/zinc/25/23/45/487252345.db2.gz YRGWSAULJPVPKY-QZTJIDSGSA-N 2 1 330.476 1.846 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000681926812 487252349 /nfs/dbraw/zinc/25/23/49/487252349.db2.gz YRGWSAULJPVPKY-QZTJIDSGSA-N 2 1 330.476 1.846 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000681926812 487252354 /nfs/dbraw/zinc/25/23/54/487252354.db2.gz YRGWSAULJPVPKY-QZTJIDSGSA-N 2 1 330.476 1.846 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000685768305 487320597 /nfs/dbraw/zinc/32/05/97/487320597.db2.gz RUEKZWWDPWPFMF-CYBMUJFWSA-N 2 1 344.419 1.051 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000682352440 487348776 /nfs/dbraw/zinc/34/87/76/487348776.db2.gz MHNOFQDRTZXVKT-QGZVFWFLSA-N 2 1 344.459 1.560 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000682352440 487348778 /nfs/dbraw/zinc/34/87/78/487348778.db2.gz MHNOFQDRTZXVKT-QGZVFWFLSA-N 2 1 344.459 1.560 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NC/C=C\C[NH3+])cc2)CC1 ZINC000669236500 485846261 /nfs/dbraw/zinc/84/62/61/485846261.db2.gz OGVHCBPCUUBAOF-ARJAWSKDSA-N 2 1 345.491 1.138 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000345443645 485975126 /nfs/dbraw/zinc/97/51/26/485975126.db2.gz ZVJDGKVYDZBYOE-KURKYZTESA-N 2 1 337.508 1.676 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)[C@H](C)C1 ZINC000430798158 486084358 /nfs/dbraw/zinc/08/43/58/486084358.db2.gz SCFLUCLZZAPFTG-CZUORRHYSA-N 2 1 334.468 1.005 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000669474362 486227694 /nfs/dbraw/zinc/22/76/94/486227694.db2.gz GRTXSEUSPJEKPT-XHSDSOJGSA-N 2 1 340.512 1.645 20 0 EDADMP C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000133195792 491220114 /nfs/dbraw/zinc/22/01/14/491220114.db2.gz RAGQCGDMNNEKSH-WMLDXEAASA-N 2 1 334.464 1.267 20 0 EDADMP C[C@@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494671 490998437 /nfs/dbraw/zinc/99/84/37/490998437.db2.gz FKLQGCMHQMHWDK-PVAVHDDUSA-N 2 1 332.448 1.019 20 0 EDADMP C[C@@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494671 490998438 /nfs/dbraw/zinc/99/84/38/490998438.db2.gz FKLQGCMHQMHWDK-PVAVHDDUSA-N 2 1 332.448 1.019 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC/C=C\C[NH3+] ZINC000669495490 490998634 /nfs/dbraw/zinc/99/86/34/490998634.db2.gz UTKPGJULOWJPTB-OGZRUICASA-N 2 1 331.464 1.011 20 0 EDADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(-n2cnnn2)c1 ZINC000128235099 491017287 /nfs/dbraw/zinc/01/72/87/491017287.db2.gz XGCUYZGQGWLDOO-MRXNPFEDSA-N 2 1 343.479 1.341 20 0 EDADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCSCC2)C1 ZINC000353394442 536474787 /nfs/dbraw/zinc/47/47/87/536474787.db2.gz FIQNFUPSDJGTFU-HUUCEWRRSA-N 2 1 326.510 1.161 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCSCC2)C1 ZINC000353394442 536474789 /nfs/dbraw/zinc/47/47/89/536474789.db2.gz FIQNFUPSDJGTFU-HUUCEWRRSA-N 2 1 326.510 1.161 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000159199559 529147627 /nfs/dbraw/zinc/14/76/27/529147627.db2.gz KYFBRTIGEXAKLT-QGZVFWFLSA-N 2 1 341.544 1.242 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000339318843 536545099 /nfs/dbraw/zinc/54/50/99/536545099.db2.gz RKVNXZJSKCHQBQ-IAGOWNOFSA-N 2 1 338.496 1.413 20 0 EDADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000261803703 535025329 /nfs/dbraw/zinc/02/53/29/535025329.db2.gz HEPRNFTZJBBHOA-INIZCTEOSA-N 2 1 333.480 1.213 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346241720 535219827 /nfs/dbraw/zinc/21/98/27/535219827.db2.gz QTJOIFSRTGLTEZ-YVSFHVDLSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346241720 535219829 /nfs/dbraw/zinc/21/98/29/535219829.db2.gz QTJOIFSRTGLTEZ-YVSFHVDLSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346241720 535219833 /nfs/dbraw/zinc/21/98/33/535219833.db2.gz QTJOIFSRTGLTEZ-YVSFHVDLSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346241720 535219838 /nfs/dbraw/zinc/21/98/38/535219838.db2.gz QTJOIFSRTGLTEZ-YVSFHVDLSA-N 2 1 325.497 1.578 20 0 EDADMP CC1(C)CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000261935664 535334656 /nfs/dbraw/zinc/33/46/56/535334656.db2.gz IYGLWAJKLUPVDJ-ROUUACIJSA-N 2 1 345.487 1.863 20 0 EDADMP CC1(C)CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000261935664 535334660 /nfs/dbraw/zinc/33/46/60/535334660.db2.gz IYGLWAJKLUPVDJ-ROUUACIJSA-N 2 1 345.487 1.863 20 0 EDADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2C[N@H+](CC)CCO2)cc1 ZINC000073404327 535606292 /nfs/dbraw/zinc/60/62/92/535606292.db2.gz KABZDBFKYDGYBZ-GOSISDBHSA-N 2 1 333.476 1.865 20 0 EDADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC000073404327 535606296 /nfs/dbraw/zinc/60/62/96/535606296.db2.gz KABZDBFKYDGYBZ-GOSISDBHSA-N 2 1 333.476 1.865 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCn3ccnc3C)CC2)CC1 ZINC000346304199 535613535 /nfs/dbraw/zinc/61/35/35/535613535.db2.gz HARVOPSHBHIESW-UHFFFAOYSA-N 2 1 347.507 1.458 20 0 EDADMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000236928991 535679463 /nfs/dbraw/zinc/67/94/63/535679463.db2.gz GGLOOMNUBKLAHK-YOEHRIQHSA-N 2 1 335.448 1.522 20 0 EDADMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000236928991 535679469 /nfs/dbraw/zinc/67/94/69/535679469.db2.gz GGLOOMNUBKLAHK-YOEHRIQHSA-N 2 1 335.448 1.522 20 0 EDADMP CC[N@@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000246299981 535772746 /nfs/dbraw/zinc/77/27/46/535772746.db2.gz PQORCBLYXDWXCR-CRAIPNDOSA-N 2 1 330.476 1.893 20 0 EDADMP CC[NH+](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000246299981 535772749 /nfs/dbraw/zinc/77/27/49/535772749.db2.gz PQORCBLYXDWXCR-CRAIPNDOSA-N 2 1 330.476 1.893 20 0 EDADMP CC[NH+](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000246299981 535772751 /nfs/dbraw/zinc/77/27/51/535772751.db2.gz PQORCBLYXDWXCR-CRAIPNDOSA-N 2 1 330.476 1.893 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)ccc1=O ZINC000270084068 535935111 /nfs/dbraw/zinc/93/51/11/535935111.db2.gz JEBVCAYFDFOEIV-QGZVFWFLSA-N 2 1 346.475 1.755 20 0 EDADMP C[NH2+][C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000262461368 536336935 /nfs/dbraw/zinc/33/69/35/536336935.db2.gz XFNDVYAUXSAGJV-DLBZAZTESA-N 2 1 327.432 1.071 20 0 EDADMP C[NH2+][C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000262461368 536336937 /nfs/dbraw/zinc/33/69/37/536336937.db2.gz XFNDVYAUXSAGJV-DLBZAZTESA-N 2 1 327.432 1.071 20 0 EDADMP C[NH2+][C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000262335740 536338033 /nfs/dbraw/zinc/33/80/33/536338033.db2.gz FCQQNLUSLPWRJV-MRXNPFEDSA-N 2 1 331.420 1.260 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261729177 536373878 /nfs/dbraw/zinc/37/38/78/536373878.db2.gz KTWZECALIRGLQI-HIFRSBDPSA-N 2 1 340.265 1.833 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCCCC[NH+]3CCOCC3)CC[C@H]21 ZINC000246956184 536378114 /nfs/dbraw/zinc/37/81/14/536378114.db2.gz OBEZRAQOOFBICS-IAGOWNOFSA-N 2 1 338.496 1.225 20 0 EDADMP C[N@@H+](CCOc1cccc(CNC(=O)C(C)(C)[NH3+])c1)C1CCOCC1 ZINC000237189582 536400657 /nfs/dbraw/zinc/40/06/57/536400657.db2.gz ZCDOODRCQUJELO-UHFFFAOYSA-N 2 1 349.475 1.530 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)CC1 ZINC000237201065 536406423 /nfs/dbraw/zinc/40/64/23/536406423.db2.gz BNNOXLTXIAIQJT-LJQANCHMSA-N 2 1 344.459 1.545 20 0 EDADMP COc1cc(C)nc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000347144151 536689289 /nfs/dbraw/zinc/68/92/89/536689289.db2.gz XKLFBDLSGHMVFH-OAHLLOKOSA-N 2 1 332.448 1.042 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H](C)C[NH+]2CCCC2)[N@@H+](C)C1 ZINC000346661142 536775165 /nfs/dbraw/zinc/77/51/65/536775165.db2.gz ONIYUFSCACYJNW-HRCADAONSA-N 2 1 326.485 1.079 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@@H+](C)C1 ZINC000347314409 536777245 /nfs/dbraw/zinc/77/72/45/536777245.db2.gz RCYZNEVNARIXJS-ARFHVFGLSA-N 2 1 342.528 1.713 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000339858385 536783943 /nfs/dbraw/zinc/78/39/43/536783943.db2.gz FNSQAHHEWLHOSB-UHFFFAOYSA-N 2 1 328.501 1.328 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCN2CCO[C@H](C)C2)C1 ZINC000729605803 578584375 /nfs/dbraw/zinc/58/43/75/578584375.db2.gz MIPGWNDVVNOKDP-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000729683932 578587359 /nfs/dbraw/zinc/58/73/59/578587359.db2.gz HBIFIGKZDGMWSK-KRWDZBQOSA-N 2 1 326.444 1.912 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000729683932 578587360 /nfs/dbraw/zinc/58/73/60/578587360.db2.gz HBIFIGKZDGMWSK-KRWDZBQOSA-N 2 1 326.444 1.912 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCOC1CCC1 ZINC000745906919 579567335 /nfs/dbraw/zinc/56/73/35/579567335.db2.gz TVKXJAYFZQOPEH-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@@H+](CN3C(=O)NC4(CCCCC4)C3=O)C2)CC1 ZINC000755778997 579934829 /nfs/dbraw/zinc/93/48/29/579934829.db2.gz HJKKEEKCGWZFKU-INIZCTEOSA-N 2 1 348.491 1.862 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000766086494 580158605 /nfs/dbraw/zinc/15/86/05/580158605.db2.gz MAAWQSBDSKAQGE-ZBFHGGJFSA-N 2 1 334.468 1.393 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2nncn2-c2ccccc2)C1 ZINC000766708764 580172382 /nfs/dbraw/zinc/17/23/82/580172382.db2.gz FEXHFOXKNXKDCR-OAHLLOKOSA-N 2 1 344.419 1.375 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2nncn2-c2ccccc2)C1 ZINC000766708764 580172383 /nfs/dbraw/zinc/17/23/83/580172383.db2.gz FEXHFOXKNXKDCR-OAHLLOKOSA-N 2 1 344.419 1.375 20 0 EDADMP C[N@H+](CC(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000766774934 580173608 /nfs/dbraw/zinc/17/36/08/580173608.db2.gz FNMRQZASTADQGQ-OAHLLOKOSA-N 2 1 348.516 1.814 20 0 EDADMP C[N@@H+](CC(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000766774934 580173609 /nfs/dbraw/zinc/17/36/09/580173609.db2.gz FNMRQZASTADQGQ-OAHLLOKOSA-N 2 1 348.516 1.814 20 0 EDADMP C[NH+]1CCC2(CCCN2C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000768284356 580210112 /nfs/dbraw/zinc/21/01/12/580210112.db2.gz BCNOIYJELDGCJR-UHFFFAOYSA-N 2 1 340.537 1.143 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cn(-c3ccccc3)nn2)CC1 ZINC000769946571 580249497 /nfs/dbraw/zinc/24/94/97/580249497.db2.gz HKPVWGVLAWFSAT-UHFFFAOYSA-N 2 1 342.491 1.773 20 0 EDADMP CCCCC[C@@H](C)NC(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779652373 580493113 /nfs/dbraw/zinc/49/31/13/580493113.db2.gz HQQQOXWBXRBKKS-CABCVRRESA-N 2 1 342.484 1.679 20 0 EDADMP CCCCC[C@@H](C)NC(=O)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779652373 580493114 /nfs/dbraw/zinc/49/31/14/580493114.db2.gz HQQQOXWBXRBKKS-CABCVRRESA-N 2 1 342.484 1.679 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCC2CCCCC2)C1 ZINC000779653343 580493377 /nfs/dbraw/zinc/49/33/77/580493377.db2.gz KTIJWQSHXMEVIV-OAHLLOKOSA-N 2 1 340.468 1.291 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCC2CCCCC2)C1 ZINC000779653343 580493378 /nfs/dbraw/zinc/49/33/78/580493378.db2.gz KTIJWQSHXMEVIV-OAHLLOKOSA-N 2 1 340.468 1.291 20 0 EDADMP Cc1cccc(NC(=O)CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)c1C ZINC000779655187 580493598 /nfs/dbraw/zinc/49/35/98/580493598.db2.gz SOYXNHSENXHJLH-MRXNPFEDSA-N 2 1 348.447 1.850 20 0 EDADMP Cc1cccc(NC(=O)CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)c1C ZINC000779655187 580493599 /nfs/dbraw/zinc/49/35/99/580493599.db2.gz SOYXNHSENXHJLH-MRXNPFEDSA-N 2 1 348.447 1.850 20 0 EDADMP Cc1cc(C)cc(NC(=O)CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000779655315 580493627 /nfs/dbraw/zinc/49/36/27/580493627.db2.gz TVHLCWRXCPEQFJ-MRXNPFEDSA-N 2 1 348.447 1.850 20 0 EDADMP Cc1cc(C)cc(NC(=O)CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000779655315 580493628 /nfs/dbraw/zinc/49/36/28/580493628.db2.gz TVHLCWRXCPEQFJ-MRXNPFEDSA-N 2 1 348.447 1.850 20 0 EDADMP Cn1nc(Br)cc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000799346895 581026222 /nfs/dbraw/zinc/02/62/22/581026222.db2.gz SVFMCRXOCKBRCD-UHFFFAOYSA-N 2 1 344.301 1.298 20 0 EDADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000893107171 590664519 /nfs/dbraw/zinc/66/45/19/590664519.db2.gz YBQFNFPBNDNMEX-UHFFFAOYSA-N 2 1 343.475 1.651 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000891980438 590722040 /nfs/dbraw/zinc/72/20/40/590722040.db2.gz VIBYHTFXQDISSW-ROUUACIJSA-N 2 1 330.476 1.868 20 0 EDADMP C[N@@H+](CCCO)C1CCN([C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892045691 590769790 /nfs/dbraw/zinc/76/97/90/590769790.db2.gz ZRYSXGDHQRHIRA-HOTGVXAUSA-N 2 1 330.444 1.399 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893320811 590777734 /nfs/dbraw/zinc/77/77/34/590777734.db2.gz RVMMJOAZZMGDOQ-HOTGVXAUSA-N 2 1 329.460 1.237 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000893398074 590843013 /nfs/dbraw/zinc/84/30/13/590843013.db2.gz HNSQUTJWOPPBPT-RDJZCZTQSA-N 2 1 338.496 1.221 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000892211716 590865690 /nfs/dbraw/zinc/86/56/90/590865690.db2.gz LXHROJGFFADYEP-OKZBNKHCSA-N 2 1 330.476 1.505 20 0 EDADMP CN1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+](C)CC1 ZINC000888985014 590953732 /nfs/dbraw/zinc/95/37/32/590953732.db2.gz ICUSKQPCBLAFQN-UHFFFAOYSA-N 2 1 344.503 1.602 20 0 EDADMP [NH3+][C@@H](CCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)Cc1ccccc1 ZINC000892407915 591015009 /nfs/dbraw/zinc/01/50/09/591015009.db2.gz JAIQXVOLNGAYLF-ROUUACIJSA-N 2 1 348.491 1.093 20 0 EDADMP [NH3+][C@@H]1CCCCCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000891346624 591052681 /nfs/dbraw/zinc/05/26/81/591052681.db2.gz AKXDCAKUNJCDBS-GOSISDBHSA-N 2 1 330.476 1.958 20 0 EDADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000891362288 591060571 /nfs/dbraw/zinc/06/05/71/591060571.db2.gz ZGPQFJZNADZSAS-GOEBONIOSA-N 2 1 349.454 1.079 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000892535344 591064161 /nfs/dbraw/zinc/06/41/61/591064161.db2.gz DECSXMYGYOGVNT-KBAYOESNSA-N 2 1 346.475 1.327 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000892535344 591064164 /nfs/dbraw/zinc/06/41/64/591064164.db2.gz DECSXMYGYOGVNT-KBAYOESNSA-N 2 1 346.475 1.327 20 0 EDADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000891508531 591098553 /nfs/dbraw/zinc/09/85/53/591098553.db2.gz NNVAQMYRCZKFIG-KURKYZTESA-N 2 1 330.476 1.588 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000892625986 591101360 /nfs/dbraw/zinc/10/13/60/591101360.db2.gz KFFDYHQTSUOLDY-IXDOHACOSA-N 2 1 346.475 1.928 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538918 591112748 /nfs/dbraw/zinc/11/27/48/591112748.db2.gz WVYJUZAJJIGPRO-HOTGVXAUSA-N 2 1 338.496 1.319 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000892687843 591130799 /nfs/dbraw/zinc/13/07/99/591130799.db2.gz YFPBSRNKMFPJGL-DLBZAZTESA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000891590955 591138416 /nfs/dbraw/zinc/13/84/16/591138416.db2.gz GFKJPHLUONGIDZ-LEUOFYLZSA-N 2 1 344.459 1.032 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000891590955 591138418 /nfs/dbraw/zinc/13/84/18/591138418.db2.gz GFKJPHLUONGIDZ-LEUOFYLZSA-N 2 1 344.459 1.032 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891597734 591143081 /nfs/dbraw/zinc/14/30/81/591143081.db2.gz SPIKWYGCVOVFAC-GOSISDBHSA-N 2 1 341.459 1.985 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892758593 591162020 /nfs/dbraw/zinc/16/20/20/591162020.db2.gz KOLDIWJPTABXIL-HZPDHXFCSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C[N@H+]1Cc1ccccc1 ZINC000891673247 591179397 /nfs/dbraw/zinc/17/93/97/591179397.db2.gz IPXJOPCFUPSSRP-WOGUSJMUSA-N 2 1 342.487 1.900 20 0 EDADMP Nc1cc[nH+]c(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000891685542 591184765 /nfs/dbraw/zinc/18/47/65/591184765.db2.gz NQYOUSVEOSWZAR-CVEARBPZSA-N 2 1 333.436 1.106 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(c3cncc(C(=O)OC)n3)CC2)CC1 ZINC000894246090 591245074 /nfs/dbraw/zinc/24/50/74/591245074.db2.gz IWPIXNYRMUIDQV-UHFFFAOYSA-N 2 1 347.463 1.260 20 0 EDADMP CCN1CCC([N@H+]2CCCN(c3cncc(C(=O)OC)n3)CC2)CC1 ZINC000894246090 591245075 /nfs/dbraw/zinc/24/50/75/591245075.db2.gz IWPIXNYRMUIDQV-UHFFFAOYSA-N 2 1 347.463 1.260 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000895665588 591245974 /nfs/dbraw/zinc/24/59/74/591245974.db2.gz DIWKWZQSNIXRMO-ULQDDVLXSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000895665588 591245977 /nfs/dbraw/zinc/24/59/77/591245977.db2.gz DIWKWZQSNIXRMO-ULQDDVLXSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000895665588 591245979 /nfs/dbraw/zinc/24/59/79/591245979.db2.gz DIWKWZQSNIXRMO-ULQDDVLXSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000895665588 591245981 /nfs/dbraw/zinc/24/59/81/591245981.db2.gz DIWKWZQSNIXRMO-ULQDDVLXSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000895665588 591245984 /nfs/dbraw/zinc/24/59/84/591245984.db2.gz DIWKWZQSNIXRMO-ULQDDVLXSA-N 3 1 339.528 1.137 20 0 EDADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(S(N)(=O)=O)o1 ZINC000895682136 591252028 /nfs/dbraw/zinc/25/20/28/591252028.db2.gz BCNNSEZUYIYCDS-UHFFFAOYSA-N 2 1 329.466 1.625 20 0 EDADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(S(N)(=O)=O)o1 ZINC000895682136 591252032 /nfs/dbraw/zinc/25/20/32/591252032.db2.gz BCNNSEZUYIYCDS-UHFFFAOYSA-N 2 1 329.466 1.625 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000895851545 591287800 /nfs/dbraw/zinc/28/78/00/591287800.db2.gz ZFROEKIIBZRGBE-AYOQOUSVSA-N 2 1 343.471 1.659 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000894377794 591295186 /nfs/dbraw/zinc/29/51/86/591295186.db2.gz HBNUKDFLVKHIOM-UHFFFAOYSA-N 2 1 340.512 1.659 20 0 EDADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000894424864 591308416 /nfs/dbraw/zinc/30/84/16/591308416.db2.gz AODAFIFOOUUBBF-IRXDYDNUSA-N 2 1 339.480 1.698 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c2c(nn1C)CCOC2 ZINC000894456859 591316350 /nfs/dbraw/zinc/31/63/50/591316350.db2.gz STQMGHSJPOAPEX-INIZCTEOSA-N 2 1 349.523 1.341 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(C4(O)CCC4)CC3)cn2)CC1 ZINC000897528566 591531628 /nfs/dbraw/zinc/53/16/28/591531628.db2.gz LAKCIOSLBFOYHT-UHFFFAOYSA-N 2 1 331.464 1.013 20 0 EDADMP C[N@H+]1CCCC[C@H](CNC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000896609461 591551951 /nfs/dbraw/zinc/55/19/51/591551951.db2.gz NVDZEBJWYITBRD-OWCLPIDISA-N 2 1 340.537 1.597 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000896609461 591551952 /nfs/dbraw/zinc/55/19/52/591551952.db2.gz NVDZEBJWYITBRD-OWCLPIDISA-N 2 1 340.537 1.597 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000896609461 591551953 /nfs/dbraw/zinc/55/19/53/591551953.db2.gz NVDZEBJWYITBRD-OWCLPIDISA-N 2 1 340.537 1.597 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000909436109 591567340 /nfs/dbraw/zinc/56/73/40/591567340.db2.gz DXGDQNPSYJNSAO-SFHVURJKSA-N 2 1 338.540 1.734 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000909436109 591567344 /nfs/dbraw/zinc/56/73/44/591567344.db2.gz DXGDQNPSYJNSAO-SFHVURJKSA-N 2 1 338.540 1.734 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000909436109 591567345 /nfs/dbraw/zinc/56/73/45/591567345.db2.gz DXGDQNPSYJNSAO-SFHVURJKSA-N 2 1 338.540 1.734 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C3CC4(C3)COC(C)(C)C4)cn2)CC1 ZINC000897972668 591727460 /nfs/dbraw/zinc/72/74/60/591727460.db2.gz GSKSSBKFGKVQML-UHFFFAOYSA-N 2 1 345.491 1.666 20 0 EDADMP COc1cc2[nH+]ccc(N3CCN(C)CC[N@@H+](C)CC3)c2cc1OC ZINC000897095795 591737669 /nfs/dbraw/zinc/73/76/69/591737669.db2.gz YJTOVJSNZFXLRZ-UHFFFAOYSA-N 2 1 344.459 1.936 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898141293 591800806 /nfs/dbraw/zinc/80/08/06/591800806.db2.gz YRDUVFDNVDQBTH-GOSISDBHSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)cc2)CC1 ZINC000899981169 591851504 /nfs/dbraw/zinc/85/15/04/591851504.db2.gz OGVASLDJZXVRTQ-PKOBYXMFSA-N 2 1 346.475 1.222 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)cc2)CC1 ZINC000899981169 591851511 /nfs/dbraw/zinc/85/15/11/591851511.db2.gz OGVASLDJZXVRTQ-PKOBYXMFSA-N 2 1 346.475 1.222 20 0 EDADMP C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000897352283 591887636 /nfs/dbraw/zinc/88/76/36/591887636.db2.gz HAKGMUKLDFLLQH-CVEARBPZSA-N 2 1 349.519 1.866 20 0 EDADMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1=O ZINC000902114663 591921850 /nfs/dbraw/zinc/92/18/50/591921850.db2.gz RZQPIWCZYLJCIC-DRMAHVMPSA-N 2 1 331.460 1.415 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1=O ZINC000902114663 591921853 /nfs/dbraw/zinc/92/18/53/591921853.db2.gz RZQPIWCZYLJCIC-DRMAHVMPSA-N 2 1 331.460 1.415 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000900179575 591930207 /nfs/dbraw/zinc/93/02/07/591930207.db2.gz MWYKUOSWDUJYGE-QUCCMNQESA-N 2 1 345.487 1.614 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000900179575 591930210 /nfs/dbraw/zinc/93/02/10/591930210.db2.gz MWYKUOSWDUJYGE-QUCCMNQESA-N 2 1 345.487 1.614 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000900179575 591930213 /nfs/dbraw/zinc/93/02/13/591930213.db2.gz MWYKUOSWDUJYGE-QUCCMNQESA-N 2 1 345.487 1.614 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000900187735 591933864 /nfs/dbraw/zinc/93/38/64/591933864.db2.gz MSJXIVTZKXXITP-UYAOXDASSA-N 2 1 345.487 1.265 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000900335381 591987580 /nfs/dbraw/zinc/98/75/80/591987580.db2.gz XLXXDYKDIQWLFL-UHFFFAOYSA-N 2 1 347.488 1.294 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000900335381 591987583 /nfs/dbraw/zinc/98/75/83/591987583.db2.gz XLXXDYKDIQWLFL-UHFFFAOYSA-N 2 1 347.488 1.294 20 0 EDADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CNCCOC4)C[C@@H]3C2)cc1 ZINC000902516468 592009311 /nfs/dbraw/zinc/00/93/11/592009311.db2.gz DWNFABDUJZHEIN-ZGXWSNOMSA-N 2 1 329.488 1.865 20 0 EDADMP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)cc1 ZINC000900565049 592054019 /nfs/dbraw/zinc/05/40/19/592054019.db2.gz DZLOPANLSNDJBV-VQIMIIECSA-N 2 1 349.475 1.088 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000900623212 592074746 /nfs/dbraw/zinc/07/47/46/592074746.db2.gz GPISJOYPMMCVRE-GOSISDBHSA-N 2 1 336.524 1.489 20 0 EDADMP CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000903069518 592118849 /nfs/dbraw/zinc/11/88/49/592118849.db2.gz XEKGJMAMRUKTGZ-QZTJIDSGSA-N 2 1 331.460 1.731 20 0 EDADMP CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903131873 592123919 /nfs/dbraw/zinc/12/39/19/592123919.db2.gz XGZXWYNEVBCKJO-JONQDZQNSA-N 2 1 333.480 1.838 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCO[C@@]34CCOC4)C2)nc(C)[nH+]1 ZINC000903136972 592126335 /nfs/dbraw/zinc/12/63/35/592126335.db2.gz XABDPWKKDDSYDB-XYJFISCASA-N 2 1 332.448 1.600 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCOCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000903459301 592171874 /nfs/dbraw/zinc/17/18/74/592171874.db2.gz GELBNUAGLHFCDX-UHFFFAOYSA-N 2 1 343.427 1.127 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000903445012 592173193 /nfs/dbraw/zinc/17/31/93/592173193.db2.gz WSXSMGBBYYSVPX-MSOLQXFVSA-N 3 1 336.524 1.380 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000903449872 592173760 /nfs/dbraw/zinc/17/37/60/592173760.db2.gz KKOWPCAHZPBXBC-RWMBFGLXSA-N 2 1 337.386 1.416 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903476245 592176137 /nfs/dbraw/zinc/17/61/37/592176137.db2.gz RPAKRUFAMZVMEH-HYVNUMGLSA-N 2 1 326.400 1.535 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H](C(=O)N(C)C)c1ccccc1)C2 ZINC000903493671 592186132 /nfs/dbraw/zinc/18/61/32/592186132.db2.gz ZKMLCFZACYOUBZ-RCJHGTSTSA-N 2 1 345.443 1.028 20 0 EDADMP Cn1c2ccccc2nc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903508563 592189328 /nfs/dbraw/zinc/18/93/28/592189328.db2.gz LRYIMGMWIPYUMO-CALCHBBNSA-N 2 1 339.487 1.974 20 0 EDADMP C[C@@]1(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)CCC[NH2+]C1 ZINC000904349794 592237107 /nfs/dbraw/zinc/23/71/07/592237107.db2.gz BXNWHBRSGFJHDL-MRXNPFEDSA-N 2 1 329.510 1.266 20 0 EDADMP C[C@]1(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000904372927 592239951 /nfs/dbraw/zinc/23/99/51/592239951.db2.gz JXTPOUIWNCWGGV-IBGZPJMESA-N 3 1 330.520 1.959 20 0 EDADMP C[C@]1(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CCC[NH2+]C1 ZINC000904369571 592240095 /nfs/dbraw/zinc/24/00/95/592240095.db2.gz YLEACRBJVNFQNH-KRWDZBQOSA-N 2 1 337.489 1.706 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904384334 592247496 /nfs/dbraw/zinc/24/74/96/592247496.db2.gz IVGVLRLVYJAWRS-XYJFISCASA-N 2 1 343.427 1.379 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1OC ZINC000904412559 592251188 /nfs/dbraw/zinc/25/11/88/592251188.db2.gz WIHJJXZDBUXGQX-GOEBONIOSA-N 2 1 349.475 1.627 20 0 EDADMP CN1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@@H+](C)CC1 ZINC000904511483 592274706 /nfs/dbraw/zinc/27/47/06/592274706.db2.gz TXAYYRWMRSUKOF-UHFFFAOYSA-N 2 1 349.454 1.183 20 0 EDADMP [NH3+]CCOc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000904512368 592274740 /nfs/dbraw/zinc/27/47/40/592274740.db2.gz ZRXYEQOPJWKYKI-IAGOWNOFSA-N 2 1 348.447 1.087 20 0 EDADMP Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719426 592281469 /nfs/dbraw/zinc/28/14/69/592281469.db2.gz ZNQBXWJZYDELRO-VQIMIIECSA-N 2 1 331.460 1.942 20 0 EDADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719426 592281471 /nfs/dbraw/zinc/28/14/71/592281471.db2.gz ZNQBXWJZYDELRO-VQIMIIECSA-N 2 1 331.460 1.942 20 0 EDADMP CCCC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000903719062 592281614 /nfs/dbraw/zinc/28/16/14/592281614.db2.gz USKFNVDSKOCXDE-JYJNAYRXSA-N 2 1 330.494 1.044 20 0 EDADMP Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719423 592281801 /nfs/dbraw/zinc/28/18/01/592281801.db2.gz ZNQBXWJZYDELRO-LPHOPBHVSA-N 2 1 331.460 1.942 20 0 EDADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719423 592281802 /nfs/dbraw/zinc/28/18/02/592281802.db2.gz ZNQBXWJZYDELRO-LPHOPBHVSA-N 2 1 331.460 1.942 20 0 EDADMP C[NH+](C)CCOc1ccccc1-c1noc(C[C@@H]([NH3+])C(F)F)n1 ZINC000904603810 592293243 /nfs/dbraw/zinc/29/32/43/592293243.db2.gz LBDQAIZYNASGGA-LLVKDONJSA-N 2 1 326.347 1.812 20 0 EDADMP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000903733497 592297061 /nfs/dbraw/zinc/29/70/61/592297061.db2.gz LIVZYLUJXVNWTF-ARFHVFGLSA-N 2 1 344.521 1.433 20 0 EDADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000903733497 592297064 /nfs/dbraw/zinc/29/70/64/592297064.db2.gz LIVZYLUJXVNWTF-ARFHVFGLSA-N 2 1 344.521 1.433 20 0 EDADMP FC(F)(c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1)C1CC[NH2+]CC1 ZINC000904636612 592299675 /nfs/dbraw/zinc/29/96/75/592299675.db2.gz CSNQXLSGJDJJMN-VXGBXAGGSA-N 2 1 328.363 1.697 20 0 EDADMP FC(F)(c1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1)C1CC[NH2+]CC1 ZINC000904636612 592299680 /nfs/dbraw/zinc/29/96/80/592299680.db2.gz CSNQXLSGJDJJMN-VXGBXAGGSA-N 2 1 328.363 1.697 20 0 EDADMP Cc1nc(CN2CCC[C@H]([N@@H+](C)C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)no1 ZINC000903738993 592300519 /nfs/dbraw/zinc/30/05/19/592300519.db2.gz AMYPTOBDHUSOCE-LZLYRXPVSA-N 2 1 349.479 1.043 20 0 EDADMP Cc1cc(C)n(C[C@H]2C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)n1 ZINC000903740364 592303627 /nfs/dbraw/zinc/30/36/27/592303627.db2.gz VAEBTOKXCNTQRN-ZWKOTPCHSA-N 2 1 348.491 1.359 20 0 EDADMP Cc1cc(C)n(C[C@H]2C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)n1 ZINC000903740364 592303632 /nfs/dbraw/zinc/30/36/32/592303632.db2.gz VAEBTOKXCNTQRN-ZWKOTPCHSA-N 2 1 348.491 1.359 20 0 EDADMP COC(=O)c1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c2ncccc12 ZINC000903761447 592308127 /nfs/dbraw/zinc/30/81/27/592308127.db2.gz SPYVFPQZKWHXDI-AWEZNQCLSA-N 2 1 329.400 1.571 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c2ncccc12 ZINC000903761447 592308133 /nfs/dbraw/zinc/30/81/33/592308133.db2.gz SPYVFPQZKWHXDI-AWEZNQCLSA-N 2 1 329.400 1.571 20 0 EDADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@@H](O)COC[C@@H]2CCCO2)CCC1 ZINC000903810556 592331066 /nfs/dbraw/zinc/33/10/66/592331066.db2.gz DWJSXEDVUROECN-IKGGRYGDSA-N 2 1 326.481 1.526 20 0 EDADMP Cc1noc(C[C@@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903824433 592334616 /nfs/dbraw/zinc/33/46/16/592334616.db2.gz QPFRNYWWIFRFNQ-JKSUJKDBSA-N 2 1 334.464 1.791 20 0 EDADMP CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903888443 592350875 /nfs/dbraw/zinc/35/08/75/592350875.db2.gz CCAYUSACSRXQFV-JKSUJKDBSA-N 2 1 348.495 1.331 20 0 EDADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903888443 592350880 /nfs/dbraw/zinc/35/08/80/592350880.db2.gz CCAYUSACSRXQFV-JKSUJKDBSA-N 2 1 348.495 1.331 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](CCCO)Cc2ccccc2)cnn1C ZINC000903890733 592352571 /nfs/dbraw/zinc/35/25/71/592352571.db2.gz GPOLFADEZTXQAB-GOSISDBHSA-N 2 1 330.476 1.731 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cnn1C ZINC000903932389 592383702 /nfs/dbraw/zinc/38/37/02/592383702.db2.gz QJTLQUCJUZMQLS-KCITZHQASA-N 3 1 349.523 1.064 20 0 EDADMP C[NH+]1CCN(C[C@H]([NH2+]C[C@@](C)(O)C(F)F)c2ccccc2)CC1 ZINC000905089029 592392448 /nfs/dbraw/zinc/39/24/48/592392448.db2.gz LBECOSDDXKOYFA-DOTOQJQBSA-N 2 1 327.419 1.581 20 0 EDADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975309 592398351 /nfs/dbraw/zinc/39/83/51/592398351.db2.gz ZPHSAAUGMVTIGM-DLBZAZTESA-N 2 1 337.508 1.916 20 0 EDADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC000905072936 592402149 /nfs/dbraw/zinc/40/21/49/592402149.db2.gz UAZGYFDCHQHELL-UFYCRDLUSA-N 2 1 348.487 1.391 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)Nc2cccc(C[NH+]3CC[C@H](O)C3)c2)C1 ZINC000908319967 592432307 /nfs/dbraw/zinc/43/23/07/592432307.db2.gz ZIRQYBTXCGUGQT-HKUYNNGSSA-N 2 1 347.459 1.039 20 0 EDADMP C[C@]1(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905244003 592474303 /nfs/dbraw/zinc/47/43/03/592474303.db2.gz OEIZNTACRZHBOR-AQNXPRMDSA-N 2 1 348.487 1.391 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1(C)C ZINC000905248352 592475918 /nfs/dbraw/zinc/47/59/18/592475918.db2.gz TUDFTRCVYGNMHR-GFCCVEGCSA-N 2 1 347.372 1.551 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905333934 592508847 /nfs/dbraw/zinc/50/88/47/592508847.db2.gz MPJQBAGVWZSPLT-HLLBOEOZSA-N 2 1 343.537 1.653 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)c1cccc(C)c1)C2 ZINC000905371132 592518046 /nfs/dbraw/zinc/51/80/46/592518046.db2.gz GKTUYRPARBATOF-LPHOPBHVSA-N 2 1 329.444 1.673 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c3ccccn3)C2)[C@@H]1C(C)C ZINC000905503663 592546716 /nfs/dbraw/zinc/54/67/16/592546716.db2.gz RNDCBIZCDIHFNT-QQXKLLMISA-N 2 1 333.476 1.574 20 0 EDADMP C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000907449753 592661167 /nfs/dbraw/zinc/66/11/67/592661167.db2.gz YNEDMWRBEJUHBH-MAUKXSAKSA-N 2 1 332.492 1.287 20 0 EDADMP O[C@@H](CN1CC[NH+](C/C=C/c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000906637093 592864125 /nfs/dbraw/zinc/86/41/25/592864125.db2.gz YZRRNRFLQRZZCY-AQDCRGGLSA-N 2 1 329.488 1.774 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=S)NCCC[NH+](C)C)[C@@H](C)C1 ZINC000734386751 592961837 /nfs/dbraw/zinc/96/18/37/592961837.db2.gz UXCTXGLXJNEJFT-HOTGVXAUSA-N 2 1 344.569 1.539 20 0 EDADMP C[NH2+][C@H]1CCN(C(=O)[C@H]([NH3+])c2cc(Br)ccc2OC)C1 ZINC000911657774 592978517 /nfs/dbraw/zinc/97/85/17/592978517.db2.gz ZILLGOGOHFFNAY-GXFFZTMASA-N 2 1 342.237 1.278 20 0 EDADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000911740712 592994288 /nfs/dbraw/zinc/99/42/88/592994288.db2.gz OPOHHTNNNUCXMI-UFBFGSQYSA-N 2 1 330.226 1.311 20 0 EDADMP [NH3+]CCc1ccc(CNC(=O)[C@@H]2[NH2+]CCOc3ccccc32)cc1 ZINC000911733768 592998997 /nfs/dbraw/zinc/99/89/97/592998997.db2.gz CWMHMGBJEGAJGR-GOSISDBHSA-N 2 1 325.412 1.527 20 0 EDADMP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000912583319 593106190 /nfs/dbraw/zinc/10/61/90/593106190.db2.gz DHROHEIBCCGHTG-DLBZAZTESA-N 2 1 337.508 1.602 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(CN3C[C@](C)(c4ccccn4)CC3=O)C2)C1 ZINC000840086157 593154256 /nfs/dbraw/zinc/15/42/56/593154256.db2.gz KRKXPQZNLISYGA-WOJBJXKFSA-N 2 1 342.487 1.947 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000810467919 593403997 /nfs/dbraw/zinc/40/39/97/593403997.db2.gz HFJLXEPVMRHYNX-SFHVURJKSA-N 2 1 341.471 1.522 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000810467919 593403998 /nfs/dbraw/zinc/40/39/98/593403998.db2.gz HFJLXEPVMRHYNX-SFHVURJKSA-N 2 1 341.471 1.522 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000812831591 593510337 /nfs/dbraw/zinc/51/03/37/593510337.db2.gz ZKUYHKCEUYRGHP-UHFFFAOYSA-N 2 1 340.493 1.306 20 0 EDADMP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000817276971 593587607 /nfs/dbraw/zinc/58/76/07/593587607.db2.gz VTCGZTGLKXGOBT-OAGGEKHMSA-N 2 1 326.481 1.885 20 0 EDADMP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000817276971 593587608 /nfs/dbraw/zinc/58/76/08/593587608.db2.gz VTCGZTGLKXGOBT-OAGGEKHMSA-N 2 1 326.481 1.885 20 0 EDADMP Cc1ccccc1[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000818998204 593733144 /nfs/dbraw/zinc/73/31/44/593733144.db2.gz QEPBFQZEYVDIMH-ZWKOTPCHSA-N 2 1 333.476 1.561 20 0 EDADMP Cc1ccccc1[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000818998204 593733145 /nfs/dbraw/zinc/73/31/45/593733145.db2.gz QEPBFQZEYVDIMH-ZWKOTPCHSA-N 2 1 333.476 1.561 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000821581095 593867411 /nfs/dbraw/zinc/86/74/11/593867411.db2.gz CFQWGSMMUWXRBW-KBPBESRZSA-N 2 1 340.435 1.477 20 0 EDADMP CCOCCN1CCN(c2nc(C)cc(C)c2-c2nn[nH]n2)C[C@H]1C ZINC000821377822 594032037 /nfs/dbraw/zinc/03/20/37/594032037.db2.gz FGSGFKXHPQZIPU-CQSZACIVSA-N 2 1 345.451 1.426 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCCCC[NH3+])cn1 ZINC000831110511 594558671 /nfs/dbraw/zinc/55/86/71/594558671.db2.gz RJSUQWKOKUIQCX-UHFFFAOYSA-N 2 1 330.436 1.894 20 0 EDADMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000829257714 594588925 /nfs/dbraw/zinc/58/89/25/594588925.db2.gz RHRBCKKKNYTABL-SFHVURJKSA-N 2 1 349.519 1.964 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@]2(O)CCc3ccccc32)CC1 ZINC000829302417 594594746 /nfs/dbraw/zinc/59/47/46/594594746.db2.gz HWLJVZYBYDTJPD-HXUWFJFHSA-N 2 1 345.487 1.353 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@]2(O)CCc3ccccc32)CC1 ZINC000829302417 594594747 /nfs/dbraw/zinc/59/47/47/594594747.db2.gz HWLJVZYBYDTJPD-HXUWFJFHSA-N 2 1 345.487 1.353 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NCCCCCC[NH3+])CC1 ZINC000831275524 594597267 /nfs/dbraw/zinc/59/72/67/594597267.db2.gz WHPROSVYFFOSOD-UHFFFAOYSA-N 2 1 327.517 1.221 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000827080541 594636006 /nfs/dbraw/zinc/63/60/06/594636006.db2.gz FFPSTNHXCSECNT-YESZJQIVSA-N 2 1 342.528 1.857 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000827080541 594636008 /nfs/dbraw/zinc/63/60/08/594636008.db2.gz FFPSTNHXCSECNT-YESZJQIVSA-N 2 1 342.528 1.857 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000827080541 594636010 /nfs/dbraw/zinc/63/60/10/594636010.db2.gz FFPSTNHXCSECNT-YESZJQIVSA-N 2 1 342.528 1.857 20 0 EDADMP [NH3+]CCOc1cccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000841287587 594881834 /nfs/dbraw/zinc/88/18/34/594881834.db2.gz FDDNZZOFBNZRJS-HOCLYGCPSA-N 2 1 334.420 1.009 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCc1ccc(CC[NH3+])cc1)[NH+]1CCOCC1 ZINC000841677578 594934728 /nfs/dbraw/zinc/93/47/28/594934728.db2.gz UNEGZROJLMFDJI-GOSISDBHSA-N 2 1 348.491 1.344 20 0 EDADMP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000841790279 594953374 /nfs/dbraw/zinc/95/33/74/594953374.db2.gz BNCFFYQQAKNNBS-IAGOWNOFSA-N 2 1 332.448 1.020 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(N2CCCC2)[nH+]1 ZINC000841873031 594970262 /nfs/dbraw/zinc/97/02/62/594970262.db2.gz UBCBARVEOHHJQA-ZBFHGGJFSA-N 2 1 329.448 1.494 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841928647 594983558 /nfs/dbraw/zinc/98/35/58/594983558.db2.gz QPTOULFSIURDKF-INIZCTEOSA-N 2 1 347.507 1.013 20 0 EDADMP CC[N@@H+](CCC1CCN(C(=O)[C@H](O)c2c[nH]cn2)CC1)CC1CC1 ZINC000867192798 594995210 /nfs/dbraw/zinc/99/52/10/594995210.db2.gz XLSBHUZEIJNBES-QGZVFWFLSA-N 2 1 334.464 1.804 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc(C[C@@H]4CCC[NH2+]4)n3)cn2)CC1 ZINC000843198638 595030481 /nfs/dbraw/zinc/03/04/81/595030481.db2.gz MZIZOVYTIIZHPR-AWEZNQCLSA-N 2 1 328.420 1.178 20 0 EDADMP Cc1ccc2c(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1C ZINC000843385321 595096274 /nfs/dbraw/zinc/09/62/74/595096274.db2.gz JZUKWIJKYFRLQL-QGZVFWFLSA-N 2 1 341.455 1.889 20 0 EDADMP O=C1[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCN1C1CCOCC1 ZINC000843386033 595096686 /nfs/dbraw/zinc/09/66/86/595096686.db2.gz BIKBHBADZIHIHL-JFIYKMOQSA-N 2 1 335.492 1.478 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2cccc(C(N)=O)c2)cc1 ZINC000842471966 595113565 /nfs/dbraw/zinc/11/35/65/595113565.db2.gz JNRTYBXBUAAANY-QGZVFWFLSA-N 2 1 327.428 1.968 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834442161 595124446 /nfs/dbraw/zinc/12/44/46/595124446.db2.gz QZQPHOJOKFWWKG-GOSISDBHSA-N 2 1 342.487 1.896 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)NCc2ccccn2)C1 ZINC000846226837 595179534 /nfs/dbraw/zinc/17/95/34/595179534.db2.gz COZKZGFEIUUFKC-DJIMGWMZSA-N 2 1 332.448 1.059 20 0 EDADMP O=C(CC[NH+]1CCOCC1)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000834794847 595214004 /nfs/dbraw/zinc/21/40/04/595214004.db2.gz ISTRSGZLPMNFOL-UHFFFAOYSA-N 2 1 326.400 1.908 20 0 EDADMP C[C@@]1(NC(=O)CC[NH+]2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000846591873 595280263 /nfs/dbraw/zinc/28/02/63/595280263.db2.gz HJFPHBUAAISAHW-LJQANCHMSA-N 2 1 331.460 1.490 20 0 EDADMP C[C@@]1(NC(=O)CC[NH+]2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000846591873 595280264 /nfs/dbraw/zinc/28/02/64/595280264.db2.gz HJFPHBUAAISAHW-LJQANCHMSA-N 2 1 331.460 1.490 20 0 EDADMP C[C@@H](C1CC1)n1nccc1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000844225321 595309231 /nfs/dbraw/zinc/30/92/31/595309231.db2.gz NDWOBPCNVOWIIU-AWEZNQCLSA-N 2 1 331.464 1.290 20 0 EDADMP COC(=O)[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000844428844 595341948 /nfs/dbraw/zinc/34/19/48/595341948.db2.gz MSNXEDMMDKJVGZ-FGTMMUONSA-N 2 1 332.444 1.332 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000844428844 595341949 /nfs/dbraw/zinc/34/19/49/595341949.db2.gz MSNXEDMMDKJVGZ-FGTMMUONSA-N 2 1 332.444 1.332 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C[C@H](C(=O)OC(C)(C)C)CC1=O ZINC000844691358 595373560 /nfs/dbraw/zinc/37/35/60/595373560.db2.gz JOZFYXQQZUZJOA-OAHLLOKOSA-N 2 1 339.480 1.408 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848410771 595375104 /nfs/dbraw/zinc/37/51/04/595375104.db2.gz RZZSCTYYPKKPCZ-QAPCUYQASA-N 2 1 325.416 1.582 20 0 EDADMP CCOC(=O)N[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC(C)C ZINC000848517929 595402168 /nfs/dbraw/zinc/40/21/68/595402168.db2.gz HSGTXQNJWNFNRB-DLBZAZTESA-N 2 1 341.496 1.990 20 0 EDADMP C[C@H](CNC(=S)NC1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848647914 595422225 /nfs/dbraw/zinc/42/22/25/595422225.db2.gz OAFJAELELOKWGH-MCIONIFRSA-N 2 1 328.526 1.042 20 0 EDADMP C[C@H](CNC(=S)NC1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848647914 595422227 /nfs/dbraw/zinc/42/22/27/595422227.db2.gz OAFJAELELOKWGH-MCIONIFRSA-N 2 1 328.526 1.042 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCCO[C@H](C)C1 ZINC000849104035 595482594 /nfs/dbraw/zinc/48/25/94/595482594.db2.gz JRDGWPFGPTUPTR-HZPDHXFCSA-N 3 1 325.501 1.086 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000849104035 595482596 /nfs/dbraw/zinc/48/25/96/595482596.db2.gz JRDGWPFGPTUPTR-HZPDHXFCSA-N 3 1 325.501 1.086 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000849104035 595482598 /nfs/dbraw/zinc/48/25/98/595482598.db2.gz JRDGWPFGPTUPTR-HZPDHXFCSA-N 3 1 325.501 1.086 20 0 EDADMP COCC[NH+]1CCC(OC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000847885723 595497098 /nfs/dbraw/zinc/49/70/98/595497098.db2.gz JNAGIWAEZVFVBJ-UHFFFAOYSA-N 2 1 330.388 1.535 20 0 EDADMP COCC[NH+]1CCC(OC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000847886341 595497228 /nfs/dbraw/zinc/49/72/28/595497228.db2.gz UOIBYHDYKVTMJP-QGZVFWFLSA-N 2 1 330.444 1.853 20 0 EDADMP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)cc21 ZINC000852797740 595547885 /nfs/dbraw/zinc/54/78/85/595547885.db2.gz AKIDEEHYAOTLCZ-BZSNNMDCSA-N 2 1 343.471 1.658 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000852867568 595587803 /nfs/dbraw/zinc/58/78/03/595587803.db2.gz XTUYRMOXOARNPJ-HYVNUMGLSA-N 2 1 344.459 1.602 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H]1c1cccs1 ZINC000852870623 595590476 /nfs/dbraw/zinc/59/04/76/595590476.db2.gz OLTPKRYZZVXOIJ-LALPHHSUSA-N 2 1 336.461 1.351 20 0 EDADMP COc1cccc([C@H](O)C2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)c1 ZINC000860134137 595592105 /nfs/dbraw/zinc/59/21/05/595592105.db2.gz KHTOONKMSYTSIU-AZUAARDMSA-N 2 1 348.487 1.896 20 0 EDADMP COc1cccc([C@H](O)C2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)c1 ZINC000860134137 595592107 /nfs/dbraw/zinc/59/21/07/595592107.db2.gz KHTOONKMSYTSIU-AZUAARDMSA-N 2 1 348.487 1.896 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000852873204 595592495 /nfs/dbraw/zinc/59/24/95/595592495.db2.gz QNRYFOWRFUKQGJ-IRXDYDNUSA-N 2 1 332.448 1.131 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccnc1-n1cccn1 ZINC000855345940 595680372 /nfs/dbraw/zinc/68/03/72/595680372.db2.gz KVYSCLKOYHRZIX-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccnc1-n1cccn1 ZINC000855345940 595680375 /nfs/dbraw/zinc/68/03/75/595680375.db2.gz KVYSCLKOYHRZIX-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP CCN(C(=O)NCc1ccc(-n2ccnc2C)nc1)[C@H]1CC[N@@H+](C)C1 ZINC000853464081 595758113 /nfs/dbraw/zinc/75/81/13/595758113.db2.gz PKOQXGVRTGCDGR-INIZCTEOSA-N 2 1 342.447 1.811 20 0 EDADMP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)[C@H]1CC[N@@H+](C)C1 ZINC000853464081 595758117 /nfs/dbraw/zinc/75/81/17/595758117.db2.gz PKOQXGVRTGCDGR-INIZCTEOSA-N 2 1 342.447 1.811 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(C3CCC3)CC1)C2=O ZINC000853535273 595788887 /nfs/dbraw/zinc/78/88/87/595788887.db2.gz VECYQJTWJYHHSR-UHFFFAOYSA-N 2 1 334.464 1.472 20 0 EDADMP [NH3+]CCCCCCNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000851668237 595877342 /nfs/dbraw/zinc/87/73/42/595877342.db2.gz SUAJTDHJONQKNG-SFHVURJKSA-N 2 1 348.491 1.572 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000853823526 595892524 /nfs/dbraw/zinc/89/25/24/595892524.db2.gz XSIFRDLNXAYCSQ-USXIJHARSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[N@H+](CC[C@@H]2COC(C)(C)O2)CC[C@H]1N1CCN(C)CC1 ZINC000851882736 595962022 /nfs/dbraw/zinc/96/20/22/595962022.db2.gz FJPVDECLJDBAHS-BRWVUGGUSA-N 2 1 325.497 1.486 20 0 EDADMP C[C@@H]1C[N@@H+](CC[C@@H]2COC(C)(C)O2)CC[C@H]1N1CCN(C)CC1 ZINC000851882736 595962025 /nfs/dbraw/zinc/96/20/25/595962025.db2.gz FJPVDECLJDBAHS-BRWVUGGUSA-N 2 1 325.497 1.486 20 0 EDADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213896 596006122 /nfs/dbraw/zinc/00/61/22/596006122.db2.gz KVNCECNTZJUBNQ-CYBMUJFWSA-N 2 1 332.448 1.557 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000852075631 596034019 /nfs/dbraw/zinc/03/40/19/596034019.db2.gz LSMAJPFUZOGNFD-MJGOQNOKSA-N 2 1 334.460 1.504 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000852075631 596034024 /nfs/dbraw/zinc/03/40/24/596034024.db2.gz LSMAJPFUZOGNFD-MJGOQNOKSA-N 2 1 334.460 1.504 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000852075631 596034025 /nfs/dbraw/zinc/03/40/25/596034025.db2.gz LSMAJPFUZOGNFD-MJGOQNOKSA-N 2 1 334.460 1.504 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000852075631 596034032 /nfs/dbraw/zinc/03/40/32/596034032.db2.gz LSMAJPFUZOGNFD-MJGOQNOKSA-N 2 1 334.460 1.504 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)Cn3ccnc3)C2)ccn1 ZINC000856625292 596037637 /nfs/dbraw/zinc/03/76/37/596037637.db2.gz DXWCEQCGASVPBD-QGZVFWFLSA-N 2 1 343.431 1.410 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3cn(C)nn3)C2)ccn1 ZINC000859363778 596066984 /nfs/dbraw/zinc/06/69/84/596066984.db2.gz VVUKPJVITSBXRJ-SFHVURJKSA-N 2 1 344.463 1.358 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3cn(C)nn3)C2)ccn1 ZINC000859363778 596066988 /nfs/dbraw/zinc/06/69/88/596066988.db2.gz VVUKPJVITSBXRJ-SFHVURJKSA-N 2 1 344.463 1.358 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3cn(C)nn3)C2)ccn1 ZINC000859363778 596066992 /nfs/dbraw/zinc/06/69/92/596066992.db2.gz VVUKPJVITSBXRJ-SFHVURJKSA-N 2 1 344.463 1.358 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC[C@H](C)[NH3+] ZINC000857115749 596160822 /nfs/dbraw/zinc/16/08/22/596160822.db2.gz SBDIHKYVSBKHNW-RDJZCZTQSA-N 2 1 333.480 1.815 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC[C@H](C)[NH3+] ZINC000857115748 596160877 /nfs/dbraw/zinc/16/08/77/596160877.db2.gz SBDIHKYVSBKHNW-DOTOQJQBSA-N 2 1 333.480 1.815 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857123012 596163313 /nfs/dbraw/zinc/16/33/13/596163313.db2.gz UTQIHTHTVZICSG-RTBURBONSA-N 2 1 344.503 1.471 20 0 EDADMP CN1CC[NH+](C)C[C@H]1CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857123012 596163315 /nfs/dbraw/zinc/16/33/15/596163315.db2.gz UTQIHTHTVZICSG-RTBURBONSA-N 2 1 344.503 1.471 20 0 EDADMP CN1CC[NH+](C)C[C@H]1CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857123012 596163317 /nfs/dbraw/zinc/16/33/17/596163317.db2.gz UTQIHTHTVZICSG-RTBURBONSA-N 2 1 344.503 1.471 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C1 ZINC000857123178 596163394 /nfs/dbraw/zinc/16/33/94/596163394.db2.gz HYOKSDJBQGHTNA-OALUTQOASA-N 2 1 345.487 1.946 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857123178 596163395 /nfs/dbraw/zinc/16/33/95/596163395.db2.gz HYOKSDJBQGHTNA-OALUTQOASA-N 2 1 345.487 1.946 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857123178 596163398 /nfs/dbraw/zinc/16/33/98/596163398.db2.gz HYOKSDJBQGHTNA-OALUTQOASA-N 2 1 345.487 1.946 20 0 EDADMP C[N@@H+](CC(=O)N1CCC2(CC1)CC[NH+](C)CC2)[C@@H]1CCSC1 ZINC000870508166 596264506 /nfs/dbraw/zinc/26/45/06/596264506.db2.gz VAWXLQMJELAUKZ-OAHLLOKOSA-N 2 1 325.522 1.758 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000866712826 596305998 /nfs/dbraw/zinc/30/59/98/596305998.db2.gz YKCYLAFKWUQHBT-ZAWLATJESA-N 2 1 341.455 1.973 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000870891801 596392358 /nfs/dbraw/zinc/39/23/58/596392358.db2.gz LNIAAGDULLILQV-OWYHZJEWSA-N 2 1 345.487 1.910 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000870891801 596392362 /nfs/dbraw/zinc/39/23/62/596392362.db2.gz LNIAAGDULLILQV-OWYHZJEWSA-N 2 1 345.487 1.910 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000867794376 596553369 /nfs/dbraw/zinc/55/33/69/596553369.db2.gz PJTNEWKKHVTUIS-MRXNPFEDSA-N 2 1 331.526 1.655 20 0 EDADMP C[C@@H](NCC1([NH3+])CCOCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000863540979 596612994 /nfs/dbraw/zinc/61/29/94/596612994.db2.gz IJLDCXVJLTXECY-AEFFLSMTSA-N 2 1 333.476 1.373 20 0 EDADMP C[C@@H](NCC1([NH3+])CCOCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000863540979 596612997 /nfs/dbraw/zinc/61/29/97/596612997.db2.gz IJLDCXVJLTXECY-AEFFLSMTSA-N 2 1 333.476 1.373 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000869762145 596620832 /nfs/dbraw/zinc/62/08/32/596620832.db2.gz FWYCLWONRZZMNH-RDJZCZTQSA-N 2 1 325.497 1.534 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[NH+]1CCCCC1 ZINC000869782120 596634134 /nfs/dbraw/zinc/63/41/34/596634134.db2.gz HEVCYDYUZOQROT-HOTGVXAUSA-N 2 1 325.497 1.458 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc([C@H](F)[C@@H]4CC[NH2+]C4)n3)cn2)CC1 ZINC000863669331 596652042 /nfs/dbraw/zinc/65/20/42/596652042.db2.gz VFLNGCXHUWIFKY-IUODEOHRSA-N 2 1 346.410 1.504 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000868226440 596734932 /nfs/dbraw/zinc/73/49/32/596734932.db2.gz BYVKFPZUFKEFDI-YVSFHVDLSA-N 2 1 342.443 1.183 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868228188 596735634 /nfs/dbraw/zinc/73/56/34/596735634.db2.gz BJMRTMWMZPXVSJ-YESZJQIVSA-N 2 1 344.459 1.430 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000864055469 596745709 /nfs/dbraw/zinc/74/57/09/596745709.db2.gz QEHVZJKMAAYKSB-CAOSSQGBSA-N 2 1 340.512 1.562 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000864055469 596745710 /nfs/dbraw/zinc/74/57/10/596745710.db2.gz QEHVZJKMAAYKSB-CAOSSQGBSA-N 2 1 340.512 1.562 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000872145442 596810565 /nfs/dbraw/zinc/81/05/65/596810565.db2.gz SOISBKZVHOOGSN-MWTISTBLSA-N 2 1 348.491 1.164 20 0 EDADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1)C1CCCC1 ZINC000872157043 596816152 /nfs/dbraw/zinc/81/61/52/596816152.db2.gz NERNRQFSGHSAQL-BBRMVZONSA-N 2 1 336.480 1.594 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1C ZINC000872256945 596857207 /nfs/dbraw/zinc/85/72/07/596857207.db2.gz GKIKICCYDCXNMX-UXLLHSPISA-N 2 1 331.416 1.371 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cn2cc[nH+]c12 ZINC000874176625 596955488 /nfs/dbraw/zinc/95/54/88/596955488.db2.gz VJYIMDHTOMQOKC-ZFWWWQNUSA-N 2 1 341.415 1.134 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cn2cc[nH+]c12 ZINC000874176625 596955489 /nfs/dbraw/zinc/95/54/89/596955489.db2.gz VJYIMDHTOMQOKC-ZFWWWQNUSA-N 2 1 341.415 1.134 20 0 EDADMP C[N@H+]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CCC1(C)C ZINC000872696467 597035805 /nfs/dbraw/zinc/03/58/05/597035805.db2.gz SUEUEYXUUHQHEB-SFHVURJKSA-N 2 1 336.480 1.277 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)C1 ZINC000876202374 597131862 /nfs/dbraw/zinc/13/18/62/597131862.db2.gz MWYDADFQAMTUSV-WMZOPIPTSA-N 2 1 338.496 1.149 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000876723233 597306499 /nfs/dbraw/zinc/30/64/99/597306499.db2.gz QMKMZZREAZUCOT-HYVNUMGLSA-N 2 1 347.507 1.966 20 0 EDADMP C[C@H](CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000876728526 597309107 /nfs/dbraw/zinc/30/91/07/597309107.db2.gz OUIQEAVJCZAWEH-LALPHHSUSA-N 2 1 325.453 1.559 20 0 EDADMP C[C@H](CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000876728526 597309110 /nfs/dbraw/zinc/30/91/10/597309110.db2.gz OUIQEAVJCZAWEH-LALPHHSUSA-N 2 1 325.453 1.559 20 0 EDADMP C[NH+](C)C[C@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000876735495 597313161 /nfs/dbraw/zinc/31/31/61/597313161.db2.gz OVNXCLOLURBXFR-IBGZPJMESA-N 2 1 346.519 1.956 20 0 EDADMP C[C@H]1C[N@H+](Cc2cnc3c(cnn3C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000876782181 597338355 /nfs/dbraw/zinc/33/83/55/597338355.db2.gz NBWWSCAWCCNCQV-YJBOKZPZSA-N 2 1 342.491 1.426 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cnc3c(cnn3C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000876782181 597338358 /nfs/dbraw/zinc/33/83/58/597338358.db2.gz NBWWSCAWCCNCQV-YJBOKZPZSA-N 2 1 342.491 1.426 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H](F)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000876782527 597338420 /nfs/dbraw/zinc/33/84/20/597338420.db2.gz WTVIYHBWWJOLJJ-FUHWJXTLSA-N 2 1 348.466 1.710 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000877229691 597469779 /nfs/dbraw/zinc/46/97/79/597469779.db2.gz PUEFRWDWBSXFNW-AZUAARDMSA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000877229691 597469780 /nfs/dbraw/zinc/46/97/80/597469780.db2.gz PUEFRWDWBSXFNW-AZUAARDMSA-N 2 1 345.487 1.702 20 0 EDADMP COCC[N@H+](Cc1cc2c(cn1)OCCO2)CC1CC[NH+](C)CC1 ZINC000877664667 597545945 /nfs/dbraw/zinc/54/59/45/597545945.db2.gz SXOQHJYMSXEMFG-UHFFFAOYSA-N 2 1 335.448 1.643 20 0 EDADMP CC(C)[C@H](CO)[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878169410 597583704 /nfs/dbraw/zinc/58/37/04/597583704.db2.gz MNLRMKLKRPETMD-IBGZPJMESA-N 2 1 347.503 1.716 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+](CCO)[C@H]2CCc3ccccc32)CC1 ZINC000878168739 597583712 /nfs/dbraw/zinc/58/37/12/597583712.db2.gz GEHAWWDPWVWLPW-SFHVURJKSA-N 2 1 331.460 1.179 20 0 EDADMP CC(C)[C@H](O)CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000878247463 597589896 /nfs/dbraw/zinc/58/98/96/597589896.db2.gz YXEOPGZBBXQRHS-QGZVFWFLSA-N 2 1 325.497 1.270 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H]1CC2(CO1)CCOCC2 ZINC000878288529 597592785 /nfs/dbraw/zinc/59/27/85/597592785.db2.gz YIIXGDLYBNUWTM-BRSBDYLESA-N 2 1 338.492 1.756 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H]1CCC2(CCOCC2)CO1 ZINC000878315929 597594887 /nfs/dbraw/zinc/59/48/87/597594887.db2.gz YFQHOMWOGRPJHH-GOSISDBHSA-N 2 1 339.524 1.532 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)CC(C)(C)O)CC1 ZINC000878377640 597598360 /nfs/dbraw/zinc/59/83/60/597598360.db2.gz VHFRBLHYBWFQNN-UHFFFAOYSA-N 2 1 333.476 1.470 20 0 EDADMP COc1ccccc1OCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592554 597648898 /nfs/dbraw/zinc/64/88/98/597648898.db2.gz LEHNKOSCTHCGTD-UHFFFAOYSA-N 2 1 333.476 1.786 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+][C@H](COC)[C@@H]2CCCOC2)CC1 ZINC000883172533 597676873 /nfs/dbraw/zinc/67/68/73/597676873.db2.gz KPDBUZYCPUTYMG-QZTJIDSGSA-N 2 1 327.513 1.435 20 0 EDADMP Cc1nccn1-c1ncccc1CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000883181900 597678830 /nfs/dbraw/zinc/67/88/30/597678830.db2.gz NIRBORHDYQEXFC-UHFFFAOYSA-N 2 1 342.447 1.811 20 0 EDADMP Cc1nccn1-c1ncccc1CNC(=O)N1CCN(C)C(C)(C)C1 ZINC000883181900 597678834 /nfs/dbraw/zinc/67/88/34/597678834.db2.gz NIRBORHDYQEXFC-UHFFFAOYSA-N 2 1 342.447 1.811 20 0 EDADMP C[C@H](C[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000878706303 597685106 /nfs/dbraw/zinc/68/51/06/597685106.db2.gz VOAOYHSJQSTFON-CYBMUJFWSA-N 2 1 327.469 1.106 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(F)(F)C(F)(F)F ZINC000883362919 597724594 /nfs/dbraw/zinc/72/45/94/597724594.db2.gz QSJWNBWMBAHRQB-NEPJUHHUSA-N 2 1 346.340 1.778 20 0 EDADMP COc1cccc([C@]2(C)CC[N@H+](CC(=O)NC3CC[NH+](C)CC3)C2)c1 ZINC000878950526 597764565 /nfs/dbraw/zinc/76/45/65/597764565.db2.gz XPSOVQHOYPNZNA-HXUWFJFHSA-N 2 1 345.487 1.869 20 0 EDADMP COc1cccc([C@]2(C)CC[N@@H+](CC(=O)NC3CC[NH+](C)CC3)C2)c1 ZINC000878950526 597764569 /nfs/dbraw/zinc/76/45/69/597764569.db2.gz XPSOVQHOYPNZNA-HXUWFJFHSA-N 2 1 345.487 1.869 20 0 EDADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)N[C@H](CO)C[NH+]3CCCC3)c2)C1 ZINC000879990687 597799945 /nfs/dbraw/zinc/79/99/45/597799945.db2.gz FTDGSOGKVJSMGP-MOPGFXCFSA-N 2 1 345.487 1.682 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883585700 597814207 /nfs/dbraw/zinc/81/42/07/597814207.db2.gz VTGKDUYFQVBZGY-JCGIZDLHSA-N 2 1 343.475 1.843 20 0 EDADMP COCC[N@@H+](CCC(=O)N1CCC[C@@H]1C)CC1CC[NH+](C)CC1 ZINC000879124804 597826978 /nfs/dbraw/zinc/82/69/78/597826978.db2.gz DLUVGDALNHNJOJ-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCN(C(C)C)C1=O ZINC000879125072 597827151 /nfs/dbraw/zinc/82/71/51/597827151.db2.gz NXDKVPAHWBZFKS-QGZVFWFLSA-N 2 1 325.497 1.676 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879244773 597862600 /nfs/dbraw/zinc/86/26/00/597862600.db2.gz GISPQXOOBUYMRJ-HKUYNNGSSA-N 2 1 331.460 1.349 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879244773 597862601 /nfs/dbraw/zinc/86/26/01/597862601.db2.gz GISPQXOOBUYMRJ-HKUYNNGSSA-N 2 1 331.460 1.349 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000883719971 597875056 /nfs/dbraw/zinc/87/50/56/597875056.db2.gz AOVQPWLFXDNDEY-SFHVURJKSA-N 2 1 345.491 1.687 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3nccs3)C2)CC1 ZINC000880317207 597900273 /nfs/dbraw/zinc/90/02/73/597900273.db2.gz PXWQOJSMZXBOFC-AWEZNQCLSA-N 2 1 336.505 1.921 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3nccs3)C2)CC1 ZINC000880317207 597900275 /nfs/dbraw/zinc/90/02/75/597900275.db2.gz PXWQOJSMZXBOFC-AWEZNQCLSA-N 2 1 336.505 1.921 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882378494 597951029 /nfs/dbraw/zinc/95/10/29/597951029.db2.gz AOFWBULACKKUDT-UHFFFAOYSA-N 2 1 347.503 1.860 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C1 ZINC000133256234 597953486 /nfs/dbraw/zinc/95/34/86/597953486.db2.gz KWPNHCHDCQOCNZ-HNNXBMFYSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1nc(C(C)C)ncc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000880664369 597990778 /nfs/dbraw/zinc/99/07/78/597990778.db2.gz PZQCLDOUVPPPHV-AWEZNQCLSA-N 2 1 335.496 1.910 20 0 EDADMP Cc1nc(C(C)C)ncc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000880664369 597990780 /nfs/dbraw/zinc/99/07/80/597990780.db2.gz PZQCLDOUVPPPHV-AWEZNQCLSA-N 2 1 335.496 1.910 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(C(F)F)nc2ncnn21 ZINC000882580643 597997819 /nfs/dbraw/zinc/99/78/19/597997819.db2.gz DHWNVBOARHLOBE-NSHDSACASA-N 2 1 341.410 1.746 20 0 EDADMP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000884192247 598021057 /nfs/dbraw/zinc/02/10/57/598021057.db2.gz AGDSVVQOECKZTJ-CXAGYDPISA-N 2 1 327.428 1.903 20 0 EDADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCC[NH+]1CCSCC1 ZINC000884197450 598024152 /nfs/dbraw/zinc/02/41/52/598024152.db2.gz UUJSYGSZXUZTOY-OAHLLOKOSA-N 2 1 349.504 1.351 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)[C@H](C)C1 ZINC000884220884 598033474 /nfs/dbraw/zinc/03/34/74/598033474.db2.gz DPGRQTZURDOPDW-OAGGEKHMSA-N 2 1 325.497 1.485 20 0 EDADMP C[NH2+]CCOc1ccccc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000884227421 598036327 /nfs/dbraw/zinc/03/63/27/598036327.db2.gz PKAZGEXXRNRYQL-INIZCTEOSA-N 2 1 347.459 1.079 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884227243 598036625 /nfs/dbraw/zinc/03/66/25/598036625.db2.gz LKCRYFCZQMBBKT-FZMZJTMJSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884227243 598036629 /nfs/dbraw/zinc/03/66/29/598036629.db2.gz LKCRYFCZQMBBKT-FZMZJTMJSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000884229559 598037697 /nfs/dbraw/zinc/03/76/97/598037697.db2.gz UJKDLBUPFNBMTK-HLLBOEOZSA-N 2 1 347.463 1.021 20 0 EDADMP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000884229559 598037701 /nfs/dbraw/zinc/03/77/01/598037701.db2.gz UJKDLBUPFNBMTK-HLLBOEOZSA-N 2 1 347.463 1.021 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)[C@H]([NH3+])C(C)C)CC1 ZINC000884315842 598063593 /nfs/dbraw/zinc/06/35/93/598063593.db2.gz BQIHBSCEYYDZKH-UKRRQHHQSA-N 2 1 327.469 1.092 20 0 EDADMP CC1(C)C[NH2+]C[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000884401195 598093690 /nfs/dbraw/zinc/09/36/90/598093690.db2.gz HJDDYUSAQPEQBM-SJORKVTESA-N 2 1 331.460 1.115 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000914182806 695260649 /nfs/dbraw/zinc/26/06/49/695260649.db2.gz BLKXULIQFHJWCG-BZUAXINKSA-N 2 1 342.553 1.842 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@@H+]1CCCO ZINC000993399495 696049277 /nfs/dbraw/zinc/04/92/77/696049277.db2.gz UDUBKIZPZUJVOU-HIFRSBDPSA-N 2 1 339.505 1.775 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@H+]1CCCO ZINC000993399495 696049279 /nfs/dbraw/zinc/04/92/79/696049279.db2.gz UDUBKIZPZUJVOU-HIFRSBDPSA-N 2 1 339.505 1.775 20 0 EDADMP Cc1ncsc1CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001015707071 696609380 /nfs/dbraw/zinc/60/93/80/696609380.db2.gz ZGLCUZSAACXSIC-HIFRSBDPSA-N 2 1 336.505 1.526 20 0 EDADMP Cc1ncsc1CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015707071 696609381 /nfs/dbraw/zinc/60/93/81/696609381.db2.gz ZGLCUZSAACXSIC-HIFRSBDPSA-N 2 1 336.505 1.526 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015707071 696609382 /nfs/dbraw/zinc/60/93/82/696609382.db2.gz ZGLCUZSAACXSIC-HIFRSBDPSA-N 2 1 336.505 1.526 20 0 EDADMP Cc1nccnc1C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994256935 696662582 /nfs/dbraw/zinc/66/25/82/696662582.db2.gz RWBNXXFZAVXPRW-CVEARBPZSA-N 2 1 343.475 1.350 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994256935 696662584 /nfs/dbraw/zinc/66/25/84/696662584.db2.gz RWBNXXFZAVXPRW-CVEARBPZSA-N 2 1 343.475 1.350 20 0 EDADMP C[C@@H]1[C@H](NC(=O)CN2CCCC2)CCC[N@H+]1Cc1ccc(CO)cc1 ZINC000994404700 696827491 /nfs/dbraw/zinc/82/74/91/696827491.db2.gz GRPOGXCYVAODGS-VQIMIIECSA-N 2 1 345.487 1.744 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(CO)cc1 ZINC000994404700 696827500 /nfs/dbraw/zinc/82/75/00/696827500.db2.gz GRPOGXCYVAODGS-VQIMIIECSA-N 2 1 345.487 1.744 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)n1 ZINC000994406003 696829198 /nfs/dbraw/zinc/82/91/98/696829198.db2.gz JYNOXXKCGXAKJX-MSOLQXFVSA-N 2 1 347.507 1.565 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccc(F)cn2)CC1 ZINC000940008700 700110786 /nfs/dbraw/zinc/11/07/86/700110786.db2.gz YRIDEKLCXZYWOH-MRXNPFEDSA-N 2 1 334.439 1.786 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CN(CC[C@@H]3CCc4ccccc43)C2)C1 ZINC001031382586 697000982 /nfs/dbraw/zinc/00/09/82/697000982.db2.gz YRCDJKHKLZMIHP-IRXDYDNUSA-N 2 1 327.472 1.859 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](CC[C@@H]3CCc4ccccc43)C2)C1 ZINC001031382586 697000983 /nfs/dbraw/zinc/00/09/83/697000983.db2.gz YRCDJKHKLZMIHP-IRXDYDNUSA-N 2 1 327.472 1.859 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](CC[C@@H]3CCc4ccccc43)C2)C1 ZINC001031382586 697000986 /nfs/dbraw/zinc/00/09/86/697000986.db2.gz YRCDJKHKLZMIHP-IRXDYDNUSA-N 2 1 327.472 1.859 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](CC[C@H]3CCCO3)C2)c1 ZINC001031433797 697095839 /nfs/dbraw/zinc/09/58/39/697095839.db2.gz RDDQDSBRJXXVNR-GOSISDBHSA-N 2 1 331.460 1.731 20 0 EDADMP COC[C@H](C)[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040848490 697339172 /nfs/dbraw/zinc/33/91/72/697339172.db2.gz JSXAGXLURAGUMP-SJORKVTESA-N 2 1 337.508 1.678 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=S)NCCCN1CCOCC1 ZINC000920073587 697390902 /nfs/dbraw/zinc/39/09/02/697390902.db2.gz KLEMFOYEFSRDDY-HOTGVXAUSA-N 2 1 342.553 1.293 20 0 EDADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=S)NCCC[NH+]1CCOCC1 ZINC000920073587 697390905 /nfs/dbraw/zinc/39/09/05/697390905.db2.gz KLEMFOYEFSRDDY-HOTGVXAUSA-N 2 1 342.553 1.293 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=S)NCCC[NH+]1CCOCC1 ZINC000920073587 697390907 /nfs/dbraw/zinc/39/09/07/697390907.db2.gz KLEMFOYEFSRDDY-HOTGVXAUSA-N 2 1 342.553 1.293 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)n1C ZINC000921364480 697567983 /nfs/dbraw/zinc/56/79/83/697567983.db2.gz JACIWCZIAIXHEM-UHFFFAOYSA-N 2 1 348.495 1.692 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2conc2CC)C1 ZINC001031712443 697731191 /nfs/dbraw/zinc/73/11/91/697731191.db2.gz ZBURENPYEDCDEK-QGZVFWFLSA-N 2 1 334.464 1.659 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2conc2CC)C1 ZINC001031712443 697731193 /nfs/dbraw/zinc/73/11/93/697731193.db2.gz ZBURENPYEDCDEK-QGZVFWFLSA-N 2 1 334.464 1.659 20 0 EDADMP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001031731833 698154087 /nfs/dbraw/zinc/15/40/87/698154087.db2.gz NFBQIFDOTHQRCH-INIZCTEOSA-N 2 1 332.448 1.378 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941475287 701551406 /nfs/dbraw/zinc/55/14/06/701551406.db2.gz NXGXVHRCARTIIJ-UHFFFAOYSA-N 2 1 346.519 1.409 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCN(C2C[NH+](CCC(C)(C)C)C2)CC1 ZINC000941487198 701555898 /nfs/dbraw/zinc/55/58/98/701555898.db2.gz HJPHUUZERAGLGT-UHFFFAOYSA-N 2 1 347.507 1.456 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031765550 699051873 /nfs/dbraw/zinc/05/18/73/699051873.db2.gz ZOIKVLSYPIRNNC-UHFFFAOYSA-N 2 1 332.448 1.407 20 0 EDADMP Cc1ccc(OCC[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001031771689 699093351 /nfs/dbraw/zinc/09/33/51/699093351.db2.gz GIIZGVBJNGEYPB-LJQANCHMSA-N 2 1 345.487 1.906 20 0 EDADMP CC1CC[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)CC1 ZINC000183266839 701569437 /nfs/dbraw/zinc/56/94/37/701569437.db2.gz OEWSCESKSGKMHN-HDICACEKSA-N 2 1 341.455 1.793 20 0 EDADMP CC1CC[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)CC1 ZINC000183266839 701569438 /nfs/dbraw/zinc/56/94/38/701569438.db2.gz OEWSCESKSGKMHN-HDICACEKSA-N 2 1 341.455 1.793 20 0 EDADMP CN(CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O)C1CCCC1 ZINC000183275473 701573525 /nfs/dbraw/zinc/57/35/25/701573525.db2.gz CCLKECKSZMTKRX-HDICACEKSA-N 2 1 341.455 1.935 20 0 EDADMP C[N@H+](CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CCCC1 ZINC000183275473 701573526 /nfs/dbraw/zinc/57/35/26/701573526.db2.gz CCLKECKSZMTKRX-HDICACEKSA-N 2 1 341.455 1.935 20 0 EDADMP C[N@@H+](CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CCCC1 ZINC000183275473 701573527 /nfs/dbraw/zinc/57/35/27/701573527.db2.gz CCLKECKSZMTKRX-HDICACEKSA-N 2 1 341.455 1.935 20 0 EDADMP C[NH+](CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C1CCCC1 ZINC000183275473 701573528 /nfs/dbraw/zinc/57/35/28/701573528.db2.gz CCLKECKSZMTKRX-HDICACEKSA-N 2 1 341.455 1.935 20 0 EDADMP C[NH+](CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O)C1CCCC1 ZINC000183275473 701573529 /nfs/dbraw/zinc/57/35/29/701573529.db2.gz CCLKECKSZMTKRX-HDICACEKSA-N 2 1 341.455 1.935 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941567366 701579734 /nfs/dbraw/zinc/57/97/34/701579734.db2.gz SABYPNCHGNZTCR-KRWDZBQOSA-N 2 1 334.508 1.265 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941567366 701579735 /nfs/dbraw/zinc/57/97/35/701579735.db2.gz SABYPNCHGNZTCR-KRWDZBQOSA-N 2 1 334.508 1.265 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnn(C)c2)C1 ZINC001031801521 699347512 /nfs/dbraw/zinc/34/75/12/699347512.db2.gz GNJQOQRZGOREPE-QGZVFWFLSA-N 2 1 333.480 1.089 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnn(C)c2)C1 ZINC001031801521 699347516 /nfs/dbraw/zinc/34/75/16/699347516.db2.gz GNJQOQRZGOREPE-QGZVFWFLSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC000939320156 699498603 /nfs/dbraw/zinc/49/86/03/699498603.db2.gz QPPLTGGGINQOKZ-WMZOPIPTSA-N 2 1 346.475 1.049 20 0 EDADMP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1[NH2+]Cc1cnon1 ZINC000939505994 699630094 /nfs/dbraw/zinc/63/00/94/699630094.db2.gz KZTCKBPASYJGGI-DYVFJYSZSA-N 2 1 347.463 1.128 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)cs1 ZINC000939551264 699700523 /nfs/dbraw/zinc/70/05/23/699700523.db2.gz RSSBABLKCRHJKA-IUODEOHRSA-N 2 1 334.489 1.484 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000939754655 699904900 /nfs/dbraw/zinc/90/49/00/699904900.db2.gz OCHFMSMHWOSDSJ-RHSMWYFYSA-N 2 1 334.464 1.445 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2)C1 ZINC000939756673 699923102 /nfs/dbraw/zinc/92/31/02/699923102.db2.gz VRNJVLFKODIMAQ-CRAIPNDOSA-N 2 1 326.444 1.871 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)nc1 ZINC000939810536 699958867 /nfs/dbraw/zinc/95/88/67/699958867.db2.gz NLUKPYRLUUENPV-IRXDYDNUSA-N 2 1 345.491 1.598 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cscn2)CC1 ZINC000940327610 700504783 /nfs/dbraw/zinc/50/47/83/700504783.db2.gz KQUYDZREIKGIKV-DZGCQCFKSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1 ZINC000940328910 700507571 /nfs/dbraw/zinc/50/75/71/700507571.db2.gz NDVXCROVZYENCJ-CYBMUJFWSA-N 2 1 337.493 1.493 20 0 EDADMP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000940328941 700508032 /nfs/dbraw/zinc/50/80/32/700508032.db2.gz OCSZDUOAHRTMDX-CYBMUJFWSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)cn1 ZINC000940329570 700508957 /nfs/dbraw/zinc/50/89/57/700508957.db2.gz VLRZAEAJXCATGH-MRXNPFEDSA-N 2 1 345.491 1.740 20 0 EDADMP Cn1cc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)cn1 ZINC000940329700 700509740 /nfs/dbraw/zinc/50/97/40/700509740.db2.gz XNFHKSXGDQIFTE-UHFFFAOYSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940426560 700620404 /nfs/dbraw/zinc/62/04/04/700620404.db2.gz WYJQNXHJLCKITI-OAHLLOKOSA-N 2 1 333.480 1.233 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940426489 700620715 /nfs/dbraw/zinc/62/07/15/700620715.db2.gz SRHWFIXLWMICIX-CQSZACIVSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940426489 700620717 /nfs/dbraw/zinc/62/07/17/700620717.db2.gz SRHWFIXLWMICIX-CQSZACIVSA-N 2 1 349.479 1.445 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nc(C)no2)CC1 ZINC000940472103 700657497 /nfs/dbraw/zinc/65/74/97/700657497.db2.gz JHQKOSDGGDWCMI-OAHLLOKOSA-N 2 1 349.479 1.723 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nc(C)no2)CC1 ZINC000940472103 700657498 /nfs/dbraw/zinc/65/74/98/700657498.db2.gz JHQKOSDGGDWCMI-OAHLLOKOSA-N 2 1 349.479 1.723 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000940457472 700661149 /nfs/dbraw/zinc/66/11/49/700661149.db2.gz HMLURNASDSPBKH-CYBMUJFWSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000940457472 700661150 /nfs/dbraw/zinc/66/11/50/700661150.db2.gz HMLURNASDSPBKH-CYBMUJFWSA-N 2 1 335.452 1.054 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3C)CC2)c(C)o1 ZINC000940461827 700665213 /nfs/dbraw/zinc/66/52/13/700665213.db2.gz MVSIOILQLJEIPH-UHFFFAOYSA-N 2 1 345.447 1.967 20 0 EDADMP Cc1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)o1 ZINC000995099834 700885969 /nfs/dbraw/zinc/88/59/69/700885969.db2.gz APNGYFPTYHDRCC-HUUCEWRRSA-N 2 1 349.479 1.484 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940795157 700914092 /nfs/dbraw/zinc/91/40/92/700914092.db2.gz GLJWCCRGTMAGHR-CABCVRRESA-N 2 1 334.464 1.624 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940795157 700914094 /nfs/dbraw/zinc/91/40/94/700914094.db2.gz GLJWCCRGTMAGHR-CABCVRRESA-N 2 1 334.464 1.624 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867611 700948592 /nfs/dbraw/zinc/94/85/92/700948592.db2.gz GAIDYDMZBINYJW-CJNGLKHVSA-N 2 1 330.432 1.545 20 0 EDADMP Cc1c(C(=O)N[C@H]2CC[N@@H+](CCCO)CC2(C)C)ccc2c[nH+]cn21 ZINC000940852765 700952866 /nfs/dbraw/zinc/95/28/66/700952866.db2.gz DFQKECKNEHCVSH-KRWDZBQOSA-N 2 1 344.459 1.855 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901852 700976907 /nfs/dbraw/zinc/97/69/07/700976907.db2.gz RFLNYDQTBLILJE-ZEVUXNIQSA-N 2 1 349.519 1.722 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901852 700976908 /nfs/dbraw/zinc/97/69/08/700976908.db2.gz RFLNYDQTBLILJE-ZEVUXNIQSA-N 2 1 349.519 1.722 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901852 700976910 /nfs/dbraw/zinc/97/69/10/700976910.db2.gz RFLNYDQTBLILJE-ZEVUXNIQSA-N 2 1 349.519 1.722 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](CCc3cnn(C)c3)C2)C1 ZINC001031919273 701043936 /nfs/dbraw/zinc/04/39/36/701043936.db2.gz QKRQPEHMQUARGY-SFHVURJKSA-N 2 1 347.507 1.133 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cncn2C)CC1(C)C ZINC000941033710 701077125 /nfs/dbraw/zinc/07/71/25/701077125.db2.gz SNCVTSXKJOREFC-DOTOQJQBSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)CC1(C)C ZINC000941033710 701077127 /nfs/dbraw/zinc/07/71/27/701077127.db2.gz SNCVTSXKJOREFC-DOTOQJQBSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)CC1(C)C ZINC000941033710 701077129 /nfs/dbraw/zinc/07/71/29/701077129.db2.gz SNCVTSXKJOREFC-DOTOQJQBSA-N 2 1 347.507 1.621 20 0 EDADMP CC1(C)C[N@@H+](C[C@@H]2CCOC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167011 701377859 /nfs/dbraw/zinc/37/78/59/701377859.db2.gz OPKORRAFUNBVLB-JKSUJKDBSA-N 2 1 335.492 1.335 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCOC3CCC3)CC2(C)C)C1 ZINC000941217394 701403820 /nfs/dbraw/zinc/40/38/20/701403820.db2.gz NRBCSENZKCKNJO-DOTOQJQBSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CCOC3CCC3)CC2(C)C)C1 ZINC000941217394 701403821 /nfs/dbraw/zinc/40/38/21/701403821.db2.gz NRBCSENZKCKNJO-DOTOQJQBSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCOC3CCC3)CC2(C)C)C1 ZINC000941217394 701403822 /nfs/dbraw/zinc/40/38/22/701403822.db2.gz NRBCSENZKCKNJO-DOTOQJQBSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)on1 ZINC000941218183 701408849 /nfs/dbraw/zinc/40/88/49/701408849.db2.gz WWTJAMBUXVUXKU-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)on1 ZINC000941218183 701408851 /nfs/dbraw/zinc/40/88/51/701408851.db2.gz WWTJAMBUXVUXKU-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)on1 ZINC000941218183 701408853 /nfs/dbraw/zinc/40/88/53/701408853.db2.gz WWTJAMBUXVUXKU-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941408944 701521255 /nfs/dbraw/zinc/52/12/55/701521255.db2.gz ZLRPHDUFTJLXRX-MSOLQXFVSA-N 2 1 346.519 1.099 20 0 EDADMP C[C@@H](F)CC[NH+]1CC(N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000941438000 701540707 /nfs/dbraw/zinc/54/07/07/701540707.db2.gz HXVDWRUQHJVSLN-OAHLLOKOSA-N 2 1 340.487 1.047 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001031976707 701972933 /nfs/dbraw/zinc/97/29/33/701972933.db2.gz RABYLZCJYVMEEM-QAPCUYQASA-N 2 1 331.460 1.311 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ncn1 ZINC000999188908 706630601 /nfs/dbraw/zinc/63/06/01/706630601.db2.gz FQKLQDVOVFKCGR-BFYDXBDKSA-N 2 1 331.464 1.206 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001031978167 701993164 /nfs/dbraw/zinc/99/31/64/701993164.db2.gz PUMQXESJYHJWDV-IFXJQAMLSA-N 2 1 343.471 1.463 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncccn3)C2)CC[N@@H+]1C ZINC000999203537 706648369 /nfs/dbraw/zinc/64/83/69/706648369.db2.gz BYEQDEWBSPLTMG-OWCLPIDISA-N 2 1 331.464 1.288 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncccn3)C2)CC[N@H+]1C ZINC000999203537 706648370 /nfs/dbraw/zinc/64/83/70/706648370.db2.gz BYEQDEWBSPLTMG-OWCLPIDISA-N 2 1 331.464 1.288 20 0 EDADMP COc1cccc(OCC[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032182564 702203849 /nfs/dbraw/zinc/20/38/49/702203849.db2.gz NPZPHXWHYIDAAJ-MRXNPFEDSA-N 2 1 347.459 1.074 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)nn1 ZINC000995886184 702222479 /nfs/dbraw/zinc/22/24/79/702222479.db2.gz KDFMSAFKEOQYOV-HNNXBMFYSA-N 2 1 348.495 1.109 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995917501 702235845 /nfs/dbraw/zinc/23/58/45/702235845.db2.gz VNFDHHZSJLNWSK-IAGOWNOFSA-N 2 1 347.507 1.584 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000999221350 706651879 /nfs/dbraw/zinc/65/18/79/706651879.db2.gz ACLZCPBHAPBMJL-GRTSSRMGSA-N 2 1 349.479 1.892 20 0 EDADMP Cn1cc(C[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)cn1 ZINC000995920748 702242454 /nfs/dbraw/zinc/24/24/54/702242454.db2.gz UZYPNUAFLHJXTQ-INIZCTEOSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1ccc(OCC[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032186225 702319197 /nfs/dbraw/zinc/31/91/97/702319197.db2.gz LJKWIXMNVMKNLC-KRWDZBQOSA-N 2 1 331.460 1.374 20 0 EDADMP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995982901 702342125 /nfs/dbraw/zinc/34/21/25/702342125.db2.gz QPXQOIFSQORAMB-IAGOWNOFSA-N 2 1 347.507 1.714 20 0 EDADMP CCn1ncnc1CN[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995973945 702359431 /nfs/dbraw/zinc/35/94/31/702359431.db2.gz GLOZORAPBQVPAR-GJZGRUSLSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995973945 702359443 /nfs/dbraw/zinc/35/94/43/702359443.db2.gz GLOZORAPBQVPAR-GJZGRUSLSA-N 2 1 348.495 1.109 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nccn3CC)C2)CC[N@H+]1C ZINC000999211231 706663994 /nfs/dbraw/zinc/66/39/94/706663994.db2.gz XQAULDCCNSCOFR-YESZJQIVSA-N 2 1 347.507 1.714 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944169113 702410370 /nfs/dbraw/zinc/41/03/70/702410370.db2.gz MDTKDBJFDCJHFZ-GOEBONIOSA-N 2 1 343.475 1.207 20 0 EDADMP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)on1 ZINC000995195040 702421504 /nfs/dbraw/zinc/42/15/04/702421504.db2.gz HWHFQBGFIXDQTG-HUUCEWRRSA-N 2 1 331.420 1.563 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996137922 702588550 /nfs/dbraw/zinc/58/85/50/702588550.db2.gz SOLGYJYFMMDNQN-HNNXBMFYSA-N 2 1 349.479 1.579 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]([NH2+]Cc3cnon3)C(C)(C)C2)C1 ZINC000996189624 702595231 /nfs/dbraw/zinc/59/52/31/702595231.db2.gz JFDUCZHJUMJGPZ-HOCLYGCPSA-N 2 1 349.479 1.518 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]([NH2+]Cc3cnon3)C(C)(C)C2)C1 ZINC000996189624 702595235 /nfs/dbraw/zinc/59/52/35/702595235.db2.gz JFDUCZHJUMJGPZ-HOCLYGCPSA-N 2 1 349.479 1.518 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)C1 ZINC000996300219 702691977 /nfs/dbraw/zinc/69/19/77/702691977.db2.gz KJNCVSLUJWALQV-RDJZCZTQSA-N 2 1 347.507 1.131 20 0 EDADMP CC[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675802 706694980 /nfs/dbraw/zinc/69/49/80/706694980.db2.gz PEHOBGQGWQFUFH-PVAVHDDUSA-N 2 1 333.480 1.390 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942260240 702769785 /nfs/dbraw/zinc/76/97/85/702769785.db2.gz XXTXUALOYNBGBH-DOTOQJQBSA-N 2 1 345.491 1.375 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)[nH]1 ZINC000996500593 702839769 /nfs/dbraw/zinc/83/97/69/702839769.db2.gz HBLDKQOFWNQBRG-GOEBONIOSA-N 2 1 346.479 1.068 20 0 EDADMP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996514923 702850122 /nfs/dbraw/zinc/85/01/22/702850122.db2.gz OEBAGVIADBENOU-DOTOQJQBSA-N 2 1 347.507 1.131 20 0 EDADMP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996521397 702857106 /nfs/dbraw/zinc/85/71/06/702857106.db2.gz VRZWPHCXZZCDRU-GDBMZVCRSA-N 2 1 348.491 1.905 20 0 EDADMP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996521397 702857109 /nfs/dbraw/zinc/85/71/09/702857109.db2.gz VRZWPHCXZZCDRU-GDBMZVCRSA-N 2 1 348.491 1.905 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)nn1C ZINC000996608769 702912078 /nfs/dbraw/zinc/91/20/78/702912078.db2.gz HNOYBKQBCPYNRG-ZBFHGGJFSA-N 2 1 333.480 1.007 20 0 EDADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)n[nH]1 ZINC000996623006 702928406 /nfs/dbraw/zinc/92/84/06/702928406.db2.gz ULZNEJSMELBWQE-QGZVFWFLSA-N 2 1 331.464 1.781 20 0 EDADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)n[nH]1 ZINC000996623006 702928407 /nfs/dbraw/zinc/92/84/07/702928407.db2.gz ULZNEJSMELBWQE-QGZVFWFLSA-N 2 1 331.464 1.781 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996665256 702967821 /nfs/dbraw/zinc/96/78/21/702967821.db2.gz AQXFTLDAXRNIHR-SJORKVTESA-N 2 1 347.507 1.621 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1)C1CC1 ZINC000996679174 702978341 /nfs/dbraw/zinc/97/83/41/702978341.db2.gz QCNQFFCPJBSACV-MRXNPFEDSA-N 2 1 347.463 1.368 20 0 EDADMP C[C@H](c1ccccc1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684035 706714570 /nfs/dbraw/zinc/71/45/70/706714570.db2.gz BHQQLGQCDBNVGW-NEWSRXKRSA-N 2 1 343.471 1.755 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684035 706714573 /nfs/dbraw/zinc/71/45/73/706714573.db2.gz BHQQLGQCDBNVGW-NEWSRXKRSA-N 2 1 343.471 1.755 20 0 EDADMP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000996722060 703017159 /nfs/dbraw/zinc/01/71/59/703017159.db2.gz INLLKCBTDRHWKS-KRWDZBQOSA-N 2 1 348.495 1.171 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000996722508 703017728 /nfs/dbraw/zinc/01/77/28/703017728.db2.gz ISLUHMJPOGXHOP-QGZVFWFLSA-N 2 1 334.464 1.856 20 0 EDADMP CCc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000996728334 703023231 /nfs/dbraw/zinc/02/32/31/703023231.db2.gz IXCAIAGAHCQCBU-INIZCTEOSA-N 2 1 334.464 1.802 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000996731166 703028124 /nfs/dbraw/zinc/02/81/24/703028124.db2.gz VGJFKTOGWVJBAJ-QGZVFWFLSA-N 2 1 346.475 1.655 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CCc3cnn(C)c3)CC2)CC[N@H+]1C ZINC000996924924 703198859 /nfs/dbraw/zinc/19/88/59/703198859.db2.gz XIPHFTZOMZKNBG-RDJZCZTQSA-N 2 1 347.507 1.274 20 0 EDADMP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032042624 703204013 /nfs/dbraw/zinc/20/40/13/703204013.db2.gz GWWRNYVKXDVWPD-QZTJIDSGSA-N 2 1 345.491 1.028 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042966 703211061 /nfs/dbraw/zinc/21/10/61/703211061.db2.gz PWYOGFCDQSKWQR-IRXDYDNUSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032042966 703211064 /nfs/dbraw/zinc/21/10/64/703211064.db2.gz PWYOGFCDQSKWQR-IRXDYDNUSA-N 2 1 332.448 1.548 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccccn2)CC1 ZINC000996979147 703234619 /nfs/dbraw/zinc/23/46/19/703234619.db2.gz LUNXQVCABMYUGQ-CRAIPNDOSA-N 2 1 330.476 1.893 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)n1 ZINC000997001488 703258165 /nfs/dbraw/zinc/25/81/65/703258165.db2.gz UNFKIVPXKQRARG-ZDUSSCGKSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)n1 ZINC000997001488 703258166 /nfs/dbraw/zinc/25/81/66/703258166.db2.gz UNFKIVPXKQRARG-ZDUSSCGKSA-N 2 1 349.479 1.752 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC000996996966 703260673 /nfs/dbraw/zinc/26/06/73/703260673.db2.gz AXWPSISUJLUTTE-NVXWUHKLSA-N 2 1 337.508 1.724 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC000997008951 703260958 /nfs/dbraw/zinc/26/09/58/703260958.db2.gz NJVGAYKOKMKRLU-PBHICJAKSA-N 2 1 346.475 1.369 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000997007654 703264715 /nfs/dbraw/zinc/26/47/15/703264715.db2.gz JBICFMGJEJAMGN-DOMZBBRYSA-N 2 1 347.463 1.225 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000997007654 703264717 /nfs/dbraw/zinc/26/47/17/703264717.db2.gz JBICFMGJEJAMGN-DOMZBBRYSA-N 2 1 347.463 1.225 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1)c1cnccn1 ZINC000997008561 703266758 /nfs/dbraw/zinc/26/67/58/703266758.db2.gz VOVGXBBBGDMXTF-HUUCEWRRSA-N 2 1 331.464 1.460 20 0 EDADMP Cc1nnsc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997013224 703272769 /nfs/dbraw/zinc/27/27/69/703272769.db2.gz ZDQIIAGKDNPYRX-RISCZKNCSA-N 2 1 337.493 1.125 20 0 EDADMP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997094756 703333657 /nfs/dbraw/zinc/33/36/57/703333657.db2.gz UMIGVRDAFWDHMQ-IAGOWNOFSA-N 2 1 343.475 1.574 20 0 EDADMP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000997133261 703393293 /nfs/dbraw/zinc/39/32/93/703393293.db2.gz VSHYYQATDCUPIY-UHFFFAOYSA-N 2 1 325.416 1.872 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCCOC1)[NH+]1CCCCC1 ZINC001032404278 703424090 /nfs/dbraw/zinc/42/40/90/703424090.db2.gz DHHMQQRVXKXYHK-BZSNNMDCSA-N 2 1 349.519 1.963 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CC2)n1 ZINC001032409040 703438405 /nfs/dbraw/zinc/43/84/05/703438405.db2.gz VFBNULIXFIVSEB-HOTGVXAUSA-N 2 1 331.464 1.144 20 0 EDADMP CC(C)n1cc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC000997181930 703467010 /nfs/dbraw/zinc/46/70/10/703467010.db2.gz COUBRNXPQBCDQB-OAHLLOKOSA-N 2 1 348.495 1.281 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000997185072 703473796 /nfs/dbraw/zinc/47/37/96/703473796.db2.gz PFPKLRFTRWZCGG-CYBMUJFWSA-N 2 1 329.435 1.954 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3noc(C4CCC4)n3)CC2)C1 ZINC000997300450 703543971 /nfs/dbraw/zinc/54/39/71/703543971.db2.gz VFHKGSHXWMLJLF-CQSZACIVSA-N 2 1 347.463 1.369 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3noc(C4CCC4)n3)CC2)C1 ZINC000997300450 703543973 /nfs/dbraw/zinc/54/39/73/703543973.db2.gz VFHKGSHXWMLJLF-CQSZACIVSA-N 2 1 347.463 1.369 20 0 EDADMP CCn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+](C)C)cn1 ZINC001032445767 703614687 /nfs/dbraw/zinc/61/46/87/703614687.db2.gz QFCGWDNCUJGFRK-OKZBNKHCSA-N 2 1 345.491 1.071 20 0 EDADMP CCn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+](C)C)cn1 ZINC001032445767 703614689 /nfs/dbraw/zinc/61/46/89/703614689.db2.gz QFCGWDNCUJGFRK-OKZBNKHCSA-N 2 1 345.491 1.071 20 0 EDADMP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001032444126 703621163 /nfs/dbraw/zinc/62/11/63/703621163.db2.gz LSCYTKHGKMDIOY-BZSNNMDCSA-N 2 1 335.492 1.715 20 0 EDADMP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032444126 703621164 /nfs/dbraw/zinc/62/11/64/703621164.db2.gz LSCYTKHGKMDIOY-BZSNNMDCSA-N 2 1 335.492 1.715 20 0 EDADMP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001032444126 703621165 /nfs/dbraw/zinc/62/11/65/703621165.db2.gz LSCYTKHGKMDIOY-BZSNNMDCSA-N 2 1 335.492 1.715 20 0 EDADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CC(C)(C)CO2)CCC1 ZINC001032444409 703621680 /nfs/dbraw/zinc/62/16/80/703621680.db2.gz XSLPJCCUBHRUPO-HRCADAONSA-N 2 1 335.492 1.571 20 0 EDADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CC(C)(C)CO2)CCC1 ZINC001032444409 703621681 /nfs/dbraw/zinc/62/16/81/703621681.db2.gz XSLPJCCUBHRUPO-HRCADAONSA-N 2 1 335.492 1.571 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCOCC1)C1CCC1 ZINC001032448194 703623391 /nfs/dbraw/zinc/62/33/91/703623391.db2.gz MZRVFYPLKMZPDE-OALUTQOASA-N 2 1 349.519 1.963 20 0 EDADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCOCC1)C1CCC1 ZINC001032448194 703623392 /nfs/dbraw/zinc/62/33/92/703623392.db2.gz MZRVFYPLKMZPDE-OALUTQOASA-N 2 1 349.519 1.963 20 0 EDADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCOCC1)C1CCC1 ZINC001032448194 703623393 /nfs/dbraw/zinc/62/33/93/703623393.db2.gz MZRVFYPLKMZPDE-OALUTQOASA-N 2 1 349.519 1.963 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C1CCC1 ZINC001032448009 703631610 /nfs/dbraw/zinc/63/16/10/703631610.db2.gz ISFDORCJQCLRHK-HOTGVXAUSA-N 2 1 348.516 1.763 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C1CCC1 ZINC001032448009 703631611 /nfs/dbraw/zinc/63/16/11/703631611.db2.gz ISFDORCJQCLRHK-HOTGVXAUSA-N 2 1 348.516 1.763 20 0 EDADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1 ZINC001032448009 703631612 /nfs/dbraw/zinc/63/16/12/703631612.db2.gz ISFDORCJQCLRHK-HOTGVXAUSA-N 2 1 348.516 1.763 20 0 EDADMP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1 ZINC001032448009 703631613 /nfs/dbraw/zinc/63/16/13/703631613.db2.gz ISFDORCJQCLRHK-HOTGVXAUSA-N 2 1 348.516 1.763 20 0 EDADMP CCn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C(C)C)[NH+](C)C)cn1 ZINC001032460450 703641785 /nfs/dbraw/zinc/64/17/85/703641785.db2.gz NSTCIFNKYPWTRJ-BZSNNMDCSA-N 2 1 347.507 1.317 20 0 EDADMP CCn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C(C)C)[NH+](C)C)cn1 ZINC001032460450 703641786 /nfs/dbraw/zinc/64/17/86/703641786.db2.gz NSTCIFNKYPWTRJ-BZSNNMDCSA-N 2 1 347.507 1.317 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)co1 ZINC000997513945 703762347 /nfs/dbraw/zinc/76/23/47/703762347.db2.gz AIPSTIUBGYVXJE-SUMWQHHRSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)co1 ZINC000997513945 703762349 /nfs/dbraw/zinc/76/23/49/703762349.db2.gz AIPSTIUBGYVXJE-SUMWQHHRSA-N 2 1 334.464 1.794 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997615481 703914823 /nfs/dbraw/zinc/91/48/23/703914823.db2.gz XGZGUXDXXHOWSX-DOTOQJQBSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000997642527 703948841 /nfs/dbraw/zinc/94/88/41/703948841.db2.gz RAOLMRJSTLZOFA-FUHWJXTLSA-N 2 1 347.507 1.584 20 0 EDADMP Cc1ncccc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997644126 703951474 /nfs/dbraw/zinc/95/14/74/703951474.db2.gz DPNNTBQNRGEGBT-SFHVURJKSA-N 2 1 346.475 1.049 20 0 EDADMP Cc1ncccc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997644126 703951477 /nfs/dbraw/zinc/95/14/77/703951477.db2.gz DPNNTBQNRGEGBT-SFHVURJKSA-N 2 1 346.475 1.049 20 0 EDADMP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995553723 703965486 /nfs/dbraw/zinc/96/54/86/703965486.db2.gz SVEJZKWSUKXYQG-TZMCWYRMSA-N 2 1 337.493 1.267 20 0 EDADMP C[N@@H+](CCCCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)C1CC1 ZINC000922810247 704377614 /nfs/dbraw/zinc/37/76/14/704377614.db2.gz OPGWLBUPRTVBKU-KRWDZBQOSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](CCCCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)C1CC1 ZINC000922810247 704377615 /nfs/dbraw/zinc/37/76/15/704377615.db2.gz OPGWLBUPRTVBKU-KRWDZBQOSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](CCCCNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)C1CC1 ZINC000922810247 704377616 /nfs/dbraw/zinc/37/76/16/704377616.db2.gz OPGWLBUPRTVBKU-KRWDZBQOSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1)C1CC1 ZINC001004457351 704450644 /nfs/dbraw/zinc/45/06/44/704450644.db2.gz KEIQMLWSHLGHME-QZTJIDSGSA-N 2 1 337.508 1.412 20 0 EDADMP C[C@H](O)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997728479 704621284 /nfs/dbraw/zinc/62/12/84/704621284.db2.gz HCUUQEZWIDVHDT-JKQORVJESA-N 2 1 325.497 1.314 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C)o1 ZINC000947936660 704667845 /nfs/dbraw/zinc/66/78/45/704667845.db2.gz XLJDWAITWXJAPU-CJNGLKHVSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997784932 704688733 /nfs/dbraw/zinc/68/87/33/704688733.db2.gz FQTOMGVYQZLVTN-RHSMWYFYSA-N 2 1 348.491 1.960 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3nccn3C)CC2)CC[N@H+]1C ZINC000997794180 704702411 /nfs/dbraw/zinc/70/24/11/704702411.db2.gz XMYIANIUIILOAU-DLBZAZTESA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCCCO1)[NH+]1CCCC1 ZINC001032557721 704734006 /nfs/dbraw/zinc/73/40/06/704734006.db2.gz QBFAETDXIFZXSX-YESZJQIVSA-N 2 1 335.492 1.715 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCCCO1)[NH+]1CCCC1 ZINC001032557721 704734008 /nfs/dbraw/zinc/73/40/08/704734008.db2.gz QBFAETDXIFZXSX-YESZJQIVSA-N 2 1 335.492 1.715 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1)C1CCC1 ZINC000997831647 704749756 /nfs/dbraw/zinc/74/97/56/704749756.db2.gz WQWNQUFIYCANDZ-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1oncc1C[NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000997832073 704750439 /nfs/dbraw/zinc/75/04/39/704750439.db2.gz YIAHTOQYBNMXNQ-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)cn1 ZINC000997831096 704751380 /nfs/dbraw/zinc/75/13/80/704751380.db2.gz QGANJWFGOZJFIT-UHFFFAOYSA-N 2 1 345.491 1.598 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918448 704769723 /nfs/dbraw/zinc/76/97/23/704769723.db2.gz JCBXWTUIZYOTMJ-VQIMIIECSA-N 2 1 345.487 1.601 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997867634 704773118 /nfs/dbraw/zinc/77/31/18/704773118.db2.gz QEVOKPNCHAEVAD-GUYCJALGSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2nccnc2C)C[C@@H]1C ZINC000944942764 704795013 /nfs/dbraw/zinc/79/50/13/704795013.db2.gz CXIUDBZFXQHMFB-BBRMVZONSA-N 2 1 342.447 1.317 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2nccnc2C)C[C@@H]1C ZINC000944942764 704795015 /nfs/dbraw/zinc/79/50/15/704795015.db2.gz CXIUDBZFXQHMFB-BBRMVZONSA-N 2 1 342.447 1.317 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944946205 704798925 /nfs/dbraw/zinc/79/89/25/704798925.db2.gz VJAKILAEJZJRRJ-RDJZCZTQSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)C[C@H]1C ZINC000944964914 704833438 /nfs/dbraw/zinc/83/34/38/704833438.db2.gz NCJYKANUFDQBLA-QAPCUYQASA-N 2 1 348.491 1.835 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)C[C@H]1C ZINC000944964914 704833444 /nfs/dbraw/zinc/83/34/44/704833444.db2.gz NCJYKANUFDQBLA-QAPCUYQASA-N 2 1 348.491 1.835 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC000997951136 705077958 /nfs/dbraw/zinc/07/79/58/705077958.db2.gz VOBRTZRTZSYJDB-WMZOPIPTSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2ccnn2C)CC1 ZINC000997951136 705077963 /nfs/dbraw/zinc/07/79/63/705077963.db2.gz VOBRTZRTZSYJDB-WMZOPIPTSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2ccnn2C)CC1 ZINC000997951136 705077968 /nfs/dbraw/zinc/07/79/68/705077968.db2.gz VOBRTZRTZSYJDB-WMZOPIPTSA-N 2 1 347.507 1.717 20 0 EDADMP CN(C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCOC1 ZINC001032592127 705188533 /nfs/dbraw/zinc/18/85/33/705188533.db2.gz HYMBRYLJKLUJGF-XIRDDKMYSA-N 2 1 347.459 1.667 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCOC1 ZINC001032592127 705188537 /nfs/dbraw/zinc/18/85/37/705188537.db2.gz HYMBRYLJKLUJGF-XIRDDKMYSA-N 2 1 347.459 1.667 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000998081196 705301196 /nfs/dbraw/zinc/30/11/96/705301196.db2.gz GSHBPQNMHXFSQX-ZFWWWQNUSA-N 2 1 336.505 1.669 20 0 EDADMP Cc1ccncc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000998082134 705308566 /nfs/dbraw/zinc/30/85/66/705308566.db2.gz NRATUYWIPSOBGQ-VQIMIIECSA-N 2 1 344.503 1.916 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3cc4n(n3)CCC4)CC2)C1 ZINC000998265260 705632280 /nfs/dbraw/zinc/63/22/80/705632280.db2.gz KDUCBZPRCQRMFV-INIZCTEOSA-N 2 1 345.491 1.109 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000998270784 705649864 /nfs/dbraw/zinc/64/98/64/705649864.db2.gz ZKUMWRCTZLNIPD-UHFFFAOYSA-N 2 1 345.422 1.754 20 0 EDADMP CCn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC[C@@H]2C)cn1 ZINC001032626306 705723899 /nfs/dbraw/zinc/72/38/99/705723899.db2.gz CXKRIRXREPHWNB-SZMVWBNQSA-N 2 1 345.491 1.215 20 0 EDADMP CCn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC[C@@H]2C)cn1 ZINC001032626306 705723902 /nfs/dbraw/zinc/72/39/02/705723902.db2.gz CXKRIRXREPHWNB-SZMVWBNQSA-N 2 1 345.491 1.215 20 0 EDADMP CCn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CCC[C@@H]2C)cn1 ZINC001032626306 705723903 /nfs/dbraw/zinc/72/39/03/705723903.db2.gz CXKRIRXREPHWNB-SZMVWBNQSA-N 2 1 345.491 1.215 20 0 EDADMP CCn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CCC[C@@H]2C)cn1 ZINC001032626306 705723907 /nfs/dbraw/zinc/72/39/07/705723907.db2.gz CXKRIRXREPHWNB-SZMVWBNQSA-N 2 1 345.491 1.215 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(F)(F)C2)C1 ZINC001032627680 705737010 /nfs/dbraw/zinc/73/70/10/705737010.db2.gz FFEKOWLKMFPOIQ-QEJZJMRPSA-N 2 1 327.419 1.659 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(F)(F)C2)C1 ZINC001032627680 705737015 /nfs/dbraw/zinc/73/70/15/705737015.db2.gz FFEKOWLKMFPOIQ-QEJZJMRPSA-N 2 1 327.419 1.659 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(F)(F)C2)C1 ZINC001032627680 705737020 /nfs/dbraw/zinc/73/70/20/705737020.db2.gz FFEKOWLKMFPOIQ-QEJZJMRPSA-N 2 1 327.419 1.659 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000998552125 705981457 /nfs/dbraw/zinc/98/14/57/705981457.db2.gz SKUBLMFMUQRSIO-QWFMPGPPSA-N 2 1 331.464 1.003 20 0 EDADMP COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000998548256 705983551 /nfs/dbraw/zinc/98/35/51/705983551.db2.gz FKYLHYKKUMNHTI-HTWSVDAQSA-N 2 1 331.460 1.868 20 0 EDADMP COc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998718992 706150782 /nfs/dbraw/zinc/15/07/82/706150782.db2.gz DPSAWHCLEFSNKY-JKSUJKDBSA-N 2 1 332.448 1.265 20 0 EDADMP CCc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cs1 ZINC000998728637 706159327 /nfs/dbraw/zinc/15/93/27/706159327.db2.gz CXIJYWZYIPETPE-DZGCQCFKSA-N 2 1 336.505 1.880 20 0 EDADMP CCc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cs1 ZINC000998728637 706159330 /nfs/dbraw/zinc/15/93/30/706159330.db2.gz CXIJYWZYIPETPE-DZGCQCFKSA-N 2 1 336.505 1.880 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2csc(Cl)n2)C1 ZINC000999834799 707467980 /nfs/dbraw/zinc/46/79/80/707467980.db2.gz WLFCYPZBLYDWHV-UHFFFAOYSA-N 2 1 342.896 1.971 20 0 EDADMP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)CC[C@@H]3C2)cn1 ZINC000946518087 706569714 /nfs/dbraw/zinc/56/97/14/706569714.db2.gz OAFRRGDPPGCHHT-FGTMMUONSA-N 2 1 345.491 1.185 20 0 EDADMP Cn1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC[C@@H]3C2)cn1 ZINC000946518087 706569716 /nfs/dbraw/zinc/56/97/16/706569716.db2.gz OAFRRGDPPGCHHT-FGTMMUONSA-N 2 1 345.491 1.185 20 0 EDADMP Cn1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC[C@@H]3C2)cn1 ZINC000946518087 706569717 /nfs/dbraw/zinc/56/97/17/706569717.db2.gz OAFRRGDPPGCHHT-FGTMMUONSA-N 2 1 345.491 1.185 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000999339050 706830702 /nfs/dbraw/zinc/83/07/02/706830702.db2.gz JLFGJOFYEUKEMV-UHFFFAOYSA-N 2 1 335.452 1.053 20 0 EDADMP C[C@@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-n2ccnc2)ccn1 ZINC001032712879 706836920 /nfs/dbraw/zinc/83/69/20/706836920.db2.gz NFEUEZVKNVWFNA-KBMXLJTQSA-N 2 1 343.406 1.914 20 0 EDADMP C[C@@H](F)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-n2ccnc2)ccn1 ZINC001032712879 706836923 /nfs/dbraw/zinc/83/69/23/706836923.db2.gz NFEUEZVKNVWFNA-KBMXLJTQSA-N 2 1 343.406 1.914 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999351605 706864116 /nfs/dbraw/zinc/86/41/16/706864116.db2.gz FBDRXUKBGLAOQN-MSOLQXFVSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC000999351696 706864676 /nfs/dbraw/zinc/86/46/76/706864676.db2.gz HECKDGXJRRDWQU-JKSUJKDBSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC000999351696 706864678 /nfs/dbraw/zinc/86/46/78/706864678.db2.gz HECKDGXJRRDWQU-JKSUJKDBSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000999353345 706866733 /nfs/dbraw/zinc/86/67/33/706866733.db2.gz MEEMSFJRIBTQNO-ZWKOTPCHSA-N 2 1 347.507 1.727 20 0 EDADMP CCn1nncc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999397999 706892386 /nfs/dbraw/zinc/89/23/86/706892386.db2.gz ASERPCQAUNSJHF-CVEARBPZSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)ncn1 ZINC000999401610 706909088 /nfs/dbraw/zinc/90/90/88/706909088.db2.gz PFYNTQHZNZNSMA-AEFFLSMTSA-N 2 1 345.491 1.740 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2ccns2)C1 ZINC000999409684 706919217 /nfs/dbraw/zinc/91/92/17/706919217.db2.gz RPOGVGKKQJUVGN-UHFFFAOYSA-N 2 1 336.505 1.954 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC000999409829 706919707 /nfs/dbraw/zinc/91/97/07/706919707.db2.gz TYLSHAVQPNRFHY-WLYUNCDWSA-N 2 1 349.479 1.443 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC000999409829 706919710 /nfs/dbraw/zinc/91/97/10/706919710.db2.gz TYLSHAVQPNRFHY-WLYUNCDWSA-N 2 1 349.479 1.443 20 0 EDADMP Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC000999496795 706994374 /nfs/dbraw/zinc/99/43/74/706994374.db2.gz PHXCTNCIOPVLHI-NZSAHSFTSA-N 2 1 345.487 1.795 20 0 EDADMP Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC000999496795 706994377 /nfs/dbraw/zinc/99/43/77/706994377.db2.gz PHXCTNCIOPVLHI-NZSAHSFTSA-N 2 1 345.487 1.795 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000999500688 706998401 /nfs/dbraw/zinc/99/84/01/706998401.db2.gz DHNABPUBVBIRKH-FHERZECASA-N 2 1 349.479 1.722 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)O1 ZINC000999493365 707029955 /nfs/dbraw/zinc/02/99/55/707029955.db2.gz DYKSERIHZFXQDX-KBAYOESNSA-N 2 1 349.519 1.866 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)O1 ZINC000999493365 707029957 /nfs/dbraw/zinc/02/99/57/707029957.db2.gz DYKSERIHZFXQDX-KBAYOESNSA-N 2 1 349.519 1.866 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)n2CC)C1)[NH+](C)C ZINC000999494812 707031387 /nfs/dbraw/zinc/03/13/87/707031387.db2.gz IODGCUGCSZXWJB-LSDHHAIUSA-N 2 1 336.484 1.027 20 0 EDADMP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946697359 707144884 /nfs/dbraw/zinc/14/48/84/707144884.db2.gz RQNYJYJNJRCYCP-FGTMMUONSA-N 2 1 335.492 1.024 20 0 EDADMP CCCn1ncnc1C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999681937 707167292 /nfs/dbraw/zinc/16/72/92/707167292.db2.gz LFHVRTWOZRGHEL-FHERZECASA-N 2 1 348.495 1.109 20 0 EDADMP CCOC1CC(C[NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000999723487 707264234 /nfs/dbraw/zinc/26/42/34/707264234.db2.gz GKWBQRVWBRVSNQ-CGZBRXJRSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2sc(C)nc2C)C1 ZINC001033265889 707291434 /nfs/dbraw/zinc/29/14/34/707291434.db2.gz KUKCLQZLTBDTRW-OAHLLOKOSA-N 2 1 347.488 1.998 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2sc(C)nc2C)C1 ZINC001033265889 707291440 /nfs/dbraw/zinc/29/14/40/707291440.db2.gz KUKCLQZLTBDTRW-OAHLLOKOSA-N 2 1 347.488 1.998 20 0 EDADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033274130 707323743 /nfs/dbraw/zinc/32/37/43/707323743.db2.gz XCEOHJGSUZJNAH-KRWDZBQOSA-N 2 1 338.415 1.414 20 0 EDADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033274130 707323744 /nfs/dbraw/zinc/32/37/44/707323744.db2.gz XCEOHJGSUZJNAH-KRWDZBQOSA-N 2 1 338.415 1.414 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000999828114 707456572 /nfs/dbraw/zinc/45/65/72/707456572.db2.gz CRDFTSXSIVVZHL-NFOMZHRRSA-N 2 1 336.867 1.766 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000948706095 707496695 /nfs/dbraw/zinc/49/66/95/707496695.db2.gz UCBUFEKKDFEWFB-DLBZAZTESA-N 2 1 325.497 1.817 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000948706095 707496697 /nfs/dbraw/zinc/49/66/97/707496697.db2.gz UCBUFEKKDFEWFB-DLBZAZTESA-N 2 1 325.497 1.817 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](C(C)C)CC2)C1 ZINC000948706095 707496701 /nfs/dbraw/zinc/49/67/01/707496701.db2.gz UCBUFEKKDFEWFB-DLBZAZTESA-N 2 1 325.497 1.817 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000948706095 707496703 /nfs/dbraw/zinc/49/67/03/707496703.db2.gz UCBUFEKKDFEWFB-DLBZAZTESA-N 2 1 325.497 1.817 20 0 EDADMP O=C([C@H]1CCC[C@@H]2CCC[NH+]21)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946818124 707574044 /nfs/dbraw/zinc/57/40/44/707574044.db2.gz FEMXQBGKTMPAML-FCGDIQPGSA-N 2 1 349.519 1.556 20 0 EDADMP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946818124 707574048 /nfs/dbraw/zinc/57/40/48/707574048.db2.gz FEMXQBGKTMPAML-FCGDIQPGSA-N 2 1 349.519 1.556 20 0 EDADMP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946818124 707574052 /nfs/dbraw/zinc/57/40/52/707574052.db2.gz FEMXQBGKTMPAML-FCGDIQPGSA-N 2 1 349.519 1.556 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC000999972513 707583987 /nfs/dbraw/zinc/58/39/87/707583987.db2.gz GBNMFLJJPQENFA-CVEARBPZSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC000999972513 707583991 /nfs/dbraw/zinc/58/39/91/707583991.db2.gz GBNMFLJJPQENFA-CVEARBPZSA-N 2 1 348.495 1.018 20 0 EDADMP O=C([C@@H]1CCC[C@H]2CCC[NH+]21)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946819171 707584700 /nfs/dbraw/zinc/58/47/00/707584700.db2.gz VPXSXENEOXYKHM-MHORFTMASA-N 2 1 335.492 1.166 20 0 EDADMP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946819171 707584706 /nfs/dbraw/zinc/58/47/06/707584706.db2.gz VPXSXENEOXYKHM-MHORFTMASA-N 2 1 335.492 1.166 20 0 EDADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946819171 707584712 /nfs/dbraw/zinc/58/47/12/707584712.db2.gz VPXSXENEOXYKHM-MHORFTMASA-N 2 1 335.492 1.166 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC000999973406 707586008 /nfs/dbraw/zinc/58/60/08/707586008.db2.gz KMNCQYACJQMNIW-CVEARBPZSA-N 2 1 348.495 1.018 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001033365587 707659907 /nfs/dbraw/zinc/65/99/07/707659907.db2.gz IDVQSDKZWUQLBI-DOTOQJQBSA-N 2 1 349.475 1.914 20 0 EDADMP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001033365587 707659911 /nfs/dbraw/zinc/65/99/11/707659911.db2.gz IDVQSDKZWUQLBI-DOTOQJQBSA-N 2 1 349.475 1.914 20 0 EDADMP CCCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999989083 707663422 /nfs/dbraw/zinc/66/34/22/707663422.db2.gz ZOLGRFCKLRMFSY-DJIMGWMZSA-N 2 1 348.495 1.281 20 0 EDADMP CCCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999989083 707663426 /nfs/dbraw/zinc/66/34/26/707663426.db2.gz ZOLGRFCKLRMFSY-DJIMGWMZSA-N 2 1 348.495 1.281 20 0 EDADMP CCCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999989083 707663431 /nfs/dbraw/zinc/66/34/31/707663431.db2.gz ZOLGRFCKLRMFSY-DJIMGWMZSA-N 2 1 348.495 1.281 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCCCO1)C12CC[NH+](CC1)C2 ZINC001032733575 707741889 /nfs/dbraw/zinc/74/18/89/707741889.db2.gz BAOQJOBAJKKJEW-ULQDDVLXSA-N 2 1 333.476 1.327 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)c1ccccc1)C12CC[NH+](CC1)C2 ZINC001032734103 707743444 /nfs/dbraw/zinc/74/34/44/707743444.db2.gz XFFYEZDQBARJEL-OKZBNKHCSA-N 2 1 341.455 1.101 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)c1ccccc1)C12CC[NH+](CC1)C2 ZINC001032734103 707743448 /nfs/dbraw/zinc/74/34/48/707743448.db2.gz XFFYEZDQBARJEL-OKZBNKHCSA-N 2 1 341.455 1.101 20 0 EDADMP CN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033416380 707796039 /nfs/dbraw/zinc/79/60/39/707796039.db2.gz PEOYVVQNFRLRTG-RHSMWYFYSA-N 2 1 329.460 1.114 20 0 EDADMP CN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033416380 707796040 /nfs/dbraw/zinc/79/60/40/707796040.db2.gz PEOYVVQNFRLRTG-RHSMWYFYSA-N 2 1 329.460 1.114 20 0 EDADMP CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033416380 707796041 /nfs/dbraw/zinc/79/60/41/707796041.db2.gz PEOYVVQNFRLRTG-RHSMWYFYSA-N 2 1 329.460 1.114 20 0 EDADMP Cn1nccc1C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001000183352 707816210 /nfs/dbraw/zinc/81/62/10/707816210.db2.gz IUUAKDQBMVEQSP-HNNXBMFYSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420491 707831980 /nfs/dbraw/zinc/83/19/80/707831980.db2.gz PWSDEPWBRXPXRD-RHSMWYFYSA-N 2 1 333.480 1.103 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033420491 707831984 /nfs/dbraw/zinc/83/19/84/707831984.db2.gz PWSDEPWBRXPXRD-RHSMWYFYSA-N 2 1 333.480 1.103 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420491 707831986 /nfs/dbraw/zinc/83/19/86/707831986.db2.gz PWSDEPWBRXPXRD-RHSMWYFYSA-N 2 1 333.480 1.103 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420491 707831990 /nfs/dbraw/zinc/83/19/90/707831990.db2.gz PWSDEPWBRXPXRD-RHSMWYFYSA-N 2 1 333.480 1.103 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033422812 707837351 /nfs/dbraw/zinc/83/73/51/707837351.db2.gz LHTMSBRQQGUECY-LPHOPBHVSA-N 2 1 347.503 1.972 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1nc(Br)c[nH]1 ZINC000921720574 707901583 /nfs/dbraw/zinc/90/15/83/707901583.db2.gz BDTRNDSMNKUYOG-NSHDSACASA-N 2 1 331.258 1.499 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033472475 707960382 /nfs/dbraw/zinc/96/03/82/707960382.db2.gz WNSDFAFOPBSEJZ-QZTJIDSGSA-N 2 1 347.507 1.679 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033472475 707960385 /nfs/dbraw/zinc/96/03/85/707960385.db2.gz WNSDFAFOPBSEJZ-QZTJIDSGSA-N 2 1 347.507 1.679 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033472475 707960387 /nfs/dbraw/zinc/96/03/87/707960387.db2.gz WNSDFAFOPBSEJZ-QZTJIDSGSA-N 2 1 347.507 1.679 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033508418 707979812 /nfs/dbraw/zinc/97/98/12/707979812.db2.gz MKYPSFZUAQMVPV-QAPCUYQASA-N 2 1 333.476 1.929 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001005184999 708112061 /nfs/dbraw/zinc/11/20/61/708112061.db2.gz OLHXWQPQACENTH-DLBZAZTESA-N 2 1 337.508 1.819 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001005209606 708234841 /nfs/dbraw/zinc/23/48/41/708234841.db2.gz MTVYOMDEIGCEHG-IBGZPJMESA-N 2 1 345.487 1.748 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001005209606 708234844 /nfs/dbraw/zinc/23/48/44/708234844.db2.gz MTVYOMDEIGCEHG-IBGZPJMESA-N 2 1 345.487 1.748 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001033580708 708261478 /nfs/dbraw/zinc/26/14/78/708261478.db2.gz HLDSXKGHVJQWON-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001033580708 708261482 /nfs/dbraw/zinc/26/14/82/708261482.db2.gz HLDSXKGHVJQWON-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)s1 ZINC001033580708 708261485 /nfs/dbraw/zinc/26/14/85/708261485.db2.gz HLDSXKGHVJQWON-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)s1 ZINC001033580708 708261489 /nfs/dbraw/zinc/26/14/89/708261489.db2.gz HLDSXKGHVJQWON-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033580720 708261620 /nfs/dbraw/zinc/26/16/20/708261620.db2.gz HOCYETIPLQGDQY-RTBURBONSA-N 2 1 345.487 1.553 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033580720 708261622 /nfs/dbraw/zinc/26/16/22/708261622.db2.gz HOCYETIPLQGDQY-RTBURBONSA-N 2 1 345.487 1.553 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033580720 708261624 /nfs/dbraw/zinc/26/16/24/708261624.db2.gz HOCYETIPLQGDQY-RTBURBONSA-N 2 1 345.487 1.553 20 0 EDADMP COCC[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001772616 708265152 /nfs/dbraw/zinc/26/51/52/708265152.db2.gz MILOWNLFGKLWNQ-INIZCTEOSA-N 2 1 334.464 1.229 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)o1 ZINC001033582418 708265784 /nfs/dbraw/zinc/26/57/84/708265784.db2.gz PCTNTZMRDSEZBK-HZPDHXFCSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001033582418 708265785 /nfs/dbraw/zinc/26/57/85/708265785.db2.gz PCTNTZMRDSEZBK-HZPDHXFCSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001033582418 708265787 /nfs/dbraw/zinc/26/57/87/708265787.db2.gz PCTNTZMRDSEZBK-HZPDHXFCSA-N 2 1 348.491 1.920 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC001033594515 708297011 /nfs/dbraw/zinc/29/70/11/708297011.db2.gz QVYLNTSILRVTRI-CQSZACIVSA-N 2 1 334.489 1.580 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC001033594515 708297015 /nfs/dbraw/zinc/29/70/15/708297015.db2.gz QVYLNTSILRVTRI-CQSZACIVSA-N 2 1 334.489 1.580 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594933 708297254 /nfs/dbraw/zinc/29/72/54/708297254.db2.gz SVHMYHCAXULKOB-OAHLLOKOSA-N 2 1 332.448 1.420 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594933 708297256 /nfs/dbraw/zinc/29/72/56/708297256.db2.gz SVHMYHCAXULKOB-OAHLLOKOSA-N 2 1 332.448 1.420 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)ccn1 ZINC001033664889 708446881 /nfs/dbraw/zinc/44/68/81/708446881.db2.gz JUVNCWBGOBRXHN-JKSUJKDBSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)ccn1 ZINC001033664889 708446882 /nfs/dbraw/zinc/44/68/82/708446882.db2.gz JUVNCWBGOBRXHN-JKSUJKDBSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)ccn1 ZINC001033664889 708446883 /nfs/dbraw/zinc/44/68/83/708446883.db2.gz JUVNCWBGOBRXHN-JKSUJKDBSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC001033664889 708446884 /nfs/dbraw/zinc/44/68/84/708446884.db2.gz JUVNCWBGOBRXHN-JKSUJKDBSA-N 2 1 332.448 1.075 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033666772 708452285 /nfs/dbraw/zinc/45/22/85/708452285.db2.gz ZGPHSJKOMPSVDL-SFHVURJKSA-N 2 1 347.507 1.901 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033666772 708452287 /nfs/dbraw/zinc/45/22/87/708452287.db2.gz ZGPHSJKOMPSVDL-SFHVURJKSA-N 2 1 347.507 1.901 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033667412 708454287 /nfs/dbraw/zinc/45/42/87/708454287.db2.gz GILDOQJZKWDVHK-KRWDZBQOSA-N 2 1 334.464 1.541 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033667412 708454290 /nfs/dbraw/zinc/45/42/90/708454290.db2.gz GILDOQJZKWDVHK-KRWDZBQOSA-N 2 1 334.464 1.541 20 0 EDADMP CO[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1)C1CCC1 ZINC001033667621 708454708 /nfs/dbraw/zinc/45/47/08/708454708.db2.gz ILRMRBWQRUSVPT-IRXDYDNUSA-N 2 1 334.464 1.539 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1)C1CCC1 ZINC001033667621 708454712 /nfs/dbraw/zinc/45/47/12/708454712.db2.gz ILRMRBWQRUSVPT-IRXDYDNUSA-N 2 1 334.464 1.539 20 0 EDADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033684703 708498044 /nfs/dbraw/zinc/49/80/44/708498044.db2.gz HRSQOCIPKIEFSR-GOEBONIOSA-N 2 1 346.475 1.029 20 0 EDADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033684703 708498046 /nfs/dbraw/zinc/49/80/46/708498046.db2.gz HRSQOCIPKIEFSR-GOEBONIOSA-N 2 1 346.475 1.029 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3ccc(F)cn3)CC2)C1 ZINC001002120191 708634105 /nfs/dbraw/zinc/63/41/05/708634105.db2.gz HXPMJELZKXSFEK-HNNXBMFYSA-N 2 1 334.439 1.501 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3ccc(F)cn3)CC2)C1 ZINC001002120191 708634107 /nfs/dbraw/zinc/63/41/07/708634107.db2.gz HXPMJELZKXSFEK-HNNXBMFYSA-N 2 1 334.439 1.501 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033837635 708866939 /nfs/dbraw/zinc/86/69/39/708866939.db2.gz TXLRVXYDOXAUIQ-SJLPKXTDSA-N 2 1 337.508 1.556 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2ccns2)CC1 ZINC001005399194 708885381 /nfs/dbraw/zinc/88/53/81/708885381.db2.gz QWCVVXJYMAXCBZ-QGZVFWFLSA-N 2 1 348.516 1.908 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002445641 708967021 /nfs/dbraw/zinc/96/70/21/708967021.db2.gz UYXMOZCHBAPCJT-LJQANCHMSA-N 2 1 344.503 1.927 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001002476772 709013619 /nfs/dbraw/zinc/01/36/19/709013619.db2.gz UBGUTSKLKHXZOL-UONOGXRCSA-N 2 1 331.407 1.085 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001033898751 709018662 /nfs/dbraw/zinc/01/86/62/709018662.db2.gz RZPTWDLYPYWAAS-CJNGLKHVSA-N 2 1 343.431 1.005 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001033898751 709018663 /nfs/dbraw/zinc/01/86/63/709018663.db2.gz RZPTWDLYPYWAAS-CJNGLKHVSA-N 2 1 343.431 1.005 20 0 EDADMP CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033951146 709131819 /nfs/dbraw/zinc/13/18/19/709131819.db2.gz BFDZWEOZSUERIQ-SFHVURJKSA-N 2 1 333.476 1.319 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001033939814 709145207 /nfs/dbraw/zinc/14/52/07/709145207.db2.gz CPNBZEIVDBVZLF-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001034015942 709232727 /nfs/dbraw/zinc/23/27/27/709232727.db2.gz JITLFUVVDBXTRJ-HNNXBMFYSA-N 2 1 332.448 1.502 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001034015942 709232730 /nfs/dbraw/zinc/23/27/30/709232730.db2.gz JITLFUVVDBXTRJ-HNNXBMFYSA-N 2 1 332.448 1.502 20 0 EDADMP COC(=O)COc1ccccc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000922026245 709452129 /nfs/dbraw/zinc/45/21/29/709452129.db2.gz SEXZWWGNRQOCPL-AWEZNQCLSA-N 2 1 329.400 1.787 20 0 EDADMP CCc1noc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002850654 709455494 /nfs/dbraw/zinc/45/54/94/709455494.db2.gz ALDIYNILUKSVJV-CZUORRHYSA-N 2 1 348.491 1.966 20 0 EDADMP O=C(NC1CC[NH+](CCC(F)(F)F)CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001002875097 709482222 /nfs/dbraw/zinc/48/22/22/709482222.db2.gz NGQKDYWJLFQWRB-ZIAGYGMSSA-N 2 1 349.397 1.383 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccsc2)CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001002873359 709493796 /nfs/dbraw/zinc/49/37/96/709493796.db2.gz BFAZWPJSCZALJY-IRXDYDNUSA-N 2 1 349.500 1.692 20 0 EDADMP C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034228089 709582760 /nfs/dbraw/zinc/58/27/60/709582760.db2.gz AFGVCVGZYDABSS-DZGCQCFKSA-N 2 1 339.505 1.775 20 0 EDADMP C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034228089 709582762 /nfs/dbraw/zinc/58/27/62/709582762.db2.gz AFGVCVGZYDABSS-DZGCQCFKSA-N 2 1 339.505 1.775 20 0 EDADMP CC[C@H](C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1)OC ZINC001034378020 709898820 /nfs/dbraw/zinc/89/88/20/709898820.db2.gz NRFCVDGURJCYIJ-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC001034378990 709900461 /nfs/dbraw/zinc/90/04/61/709900461.db2.gz ZQIXTGQMSBEZKI-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)ncn1 ZINC001034395247 709932201 /nfs/dbraw/zinc/93/22/01/709932201.db2.gz WMKCFBIJASIBJL-RDJZCZTQSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)ncn1 ZINC001034395247 709932204 /nfs/dbraw/zinc/93/22/04/709932204.db2.gz WMKCFBIJASIBJL-RDJZCZTQSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)ncn1 ZINC001034395247 709932207 /nfs/dbraw/zinc/93/22/07/709932207.db2.gz WMKCFBIJASIBJL-RDJZCZTQSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)ncn1 ZINC001034395247 709932210 /nfs/dbraw/zinc/93/22/10/709932210.db2.gz WMKCFBIJASIBJL-RDJZCZTQSA-N 2 1 345.491 1.598 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3cnn(C)c3)C2)C1 ZINC001034396725 709936485 /nfs/dbraw/zinc/93/64/85/709936485.db2.gz GRFBQCWEPATWQS-DOTOQJQBSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3cnn(C)c3)C2)C1 ZINC001034396725 709936487 /nfs/dbraw/zinc/93/64/87/709936487.db2.gz GRFBQCWEPATWQS-DOTOQJQBSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](Cc3cnn(C)c3)C2)C1 ZINC001034396725 709936489 /nfs/dbraw/zinc/93/64/89/709936489.db2.gz GRFBQCWEPATWQS-DOTOQJQBSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3cnn(C)c3)C2)C1 ZINC001034396725 709936490 /nfs/dbraw/zinc/93/64/90/709936490.db2.gz GRFBQCWEPATWQS-DOTOQJQBSA-N 2 1 333.480 1.233 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCO)C1 ZINC001034481699 710096491 /nfs/dbraw/zinc/09/64/91/710096491.db2.gz WIKZFYWKNAHTLY-SJORKVTESA-N 2 1 325.497 1.604 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCO)C1 ZINC001034481699 710096496 /nfs/dbraw/zinc/09/64/96/710096496.db2.gz WIKZFYWKNAHTLY-SJORKVTESA-N 2 1 325.497 1.604 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCO)C1 ZINC001034481699 710096499 /nfs/dbraw/zinc/09/64/99/710096499.db2.gz WIKZFYWKNAHTLY-SJORKVTESA-N 2 1 325.497 1.604 20 0 EDADMP Cc1nccnc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034489645 710107421 /nfs/dbraw/zinc/10/74/21/710107421.db2.gz HQSDNLXGRPNTKP-DLBZAZTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034489645 710107425 /nfs/dbraw/zinc/10/74/25/710107425.db2.gz HQSDNLXGRPNTKP-DLBZAZTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034489645 710107429 /nfs/dbraw/zinc/10/74/29/710107429.db2.gz HQSDNLXGRPNTKP-DLBZAZTESA-N 2 1 345.491 1.598 20 0 EDADMP Cn1nccc1CC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034491017 710111137 /nfs/dbraw/zinc/11/11/37/710111137.db2.gz OVUSKCFUWXPFEE-DLBZAZTESA-N 2 1 347.507 1.275 20 0 EDADMP Cn1nccc1CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034491017 710111140 /nfs/dbraw/zinc/11/11/40/710111140.db2.gz OVUSKCFUWXPFEE-DLBZAZTESA-N 2 1 347.507 1.275 20 0 EDADMP Cn1nccc1CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034491017 710111141 /nfs/dbraw/zinc/11/11/41/710111141.db2.gz OVUSKCFUWXPFEE-DLBZAZTESA-N 2 1 347.507 1.275 20 0 EDADMP Cc1ccncc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034523864 710171637 /nfs/dbraw/zinc/17/16/37/710171637.db2.gz CELWXKAVVCFDJF-WMZOPIPTSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ccncc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034523864 710171639 /nfs/dbraw/zinc/17/16/39/710171639.db2.gz CELWXKAVVCFDJF-WMZOPIPTSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ccncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034523864 710171641 /nfs/dbraw/zinc/17/16/41/710171641.db2.gz CELWXKAVVCFDJF-WMZOPIPTSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC001034526700 710179184 /nfs/dbraw/zinc/17/91/84/710179184.db2.gz BJAGNIHMUZWJIN-KRWDZBQOSA-N 2 1 334.464 1.589 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCOCC2)C1 ZINC001034526700 710179186 /nfs/dbraw/zinc/17/91/86/710179186.db2.gz BJAGNIHMUZWJIN-KRWDZBQOSA-N 2 1 334.464 1.589 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001034527780 710180849 /nfs/dbraw/zinc/18/08/49/710180849.db2.gz HXNUWUSPTLHTNI-QZTJIDSGSA-N 2 1 337.508 1.870 20 0 EDADMP Cc1noc(CCC[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001034528501 710182376 /nfs/dbraw/zinc/18/23/76/710182376.db2.gz OFMYQDVLECAUOX-INIZCTEOSA-N 2 1 349.479 1.377 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ncccn1 ZINC001034607883 710264647 /nfs/dbraw/zinc/26/46/47/710264647.db2.gz UTSQPDBUKHUDCI-VGWMRTNUSA-N 2 1 331.464 1.649 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCC[C@H]3CCOC3)C2)CC[N@H+]1C ZINC001032840099 710289009 /nfs/dbraw/zinc/28/90/09/710289009.db2.gz PSIKCMZBYFKKCQ-XLAORIBOSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CCC[C@H]3CCOC3)C2)CC[NH+]1C ZINC001032840099 710289012 /nfs/dbraw/zinc/28/90/12/710289012.db2.gz PSIKCMZBYFKKCQ-XLAORIBOSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCC[C@H]3CCOC3)C2)CC[NH+]1C ZINC001032840099 710289014 /nfs/dbraw/zinc/28/90/14/710289014.db2.gz PSIKCMZBYFKKCQ-XLAORIBOSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034643511 710319814 /nfs/dbraw/zinc/31/98/14/710319814.db2.gz XJBCXSVKKGSFLJ-BZSNNMDCSA-N 2 1 347.507 1.810 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034647327 710323729 /nfs/dbraw/zinc/32/37/29/710323729.db2.gz FHYKGMLRNMDXPI-KLHDSHLOSA-N 2 1 334.464 1.840 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cn(C)nn3)CC2)CC[N@H+]1C ZINC001034648791 710325558 /nfs/dbraw/zinc/32/55/58/710325558.db2.gz AWSKWAMLGQNJBC-NXNVCVFFSA-N 2 1 348.495 1.062 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CCc3ccnn3C)CC2)CC[N@H+]1C ZINC001003493563 710376140 /nfs/dbraw/zinc/37/61/40/710376140.db2.gz WMOPKCOPLXOGER-HOTGVXAUSA-N 2 1 347.507 1.274 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000922189695 710391267 /nfs/dbraw/zinc/39/12/67/710391267.db2.gz BOYYAMPDQAWUDN-ROUUACIJSA-N 2 1 346.475 1.281 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000922189695 710391269 /nfs/dbraw/zinc/39/12/69/710391269.db2.gz BOYYAMPDQAWUDN-ROUUACIJSA-N 2 1 346.475 1.281 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000922189695 710391270 /nfs/dbraw/zinc/39/12/70/710391270.db2.gz BOYYAMPDQAWUDN-ROUUACIJSA-N 2 1 346.475 1.281 20 0 EDADMP C[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccc(F)cn3)CC2)CC1 ZINC001003543580 710412182 /nfs/dbraw/zinc/41/21/82/710412182.db2.gz CATQMHZRTUPDAI-UHFFFAOYSA-N 2 1 334.439 1.643 20 0 EDADMP Cc1noc(CCC[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001003626507 710455911 /nfs/dbraw/zinc/45/59/11/710455911.db2.gz RDUYBNRHUTXACO-CQSZACIVSA-N 2 1 349.479 1.233 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003627983 710457783 /nfs/dbraw/zinc/45/77/83/710457783.db2.gz LDLWJEAZFVPKEV-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003627983 710457785 /nfs/dbraw/zinc/45/77/85/710457785.db2.gz LDLWJEAZFVPKEV-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H](O)C[NH+]1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001003628501 710458684 /nfs/dbraw/zinc/45/86/84/710458684.db2.gz RBDGSIAXVPEWAS-GUYCJALGSA-N 2 1 329.460 1.160 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001003634391 710461735 /nfs/dbraw/zinc/46/17/35/710461735.db2.gz KAYDEDXOICFHKQ-DNVCBOLYSA-N 2 1 345.487 1.457 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC001003634446 710462175 /nfs/dbraw/zinc/46/21/75/710462175.db2.gz KLNCJMOPZDVPSA-HNAYVOBHSA-N 2 1 345.487 1.974 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC001003636117 710463114 /nfs/dbraw/zinc/46/31/14/710463114.db2.gz SRPDCBIFUIRZJY-DYVFJYSZSA-N 2 1 346.475 1.830 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC001003636117 710463115 /nfs/dbraw/zinc/46/31/15/710463115.db2.gz SRPDCBIFUIRZJY-DYVFJYSZSA-N 2 1 346.475 1.830 20 0 EDADMP Cc1cccc(NCCNC(=O)NCC2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000922218588 710466445 /nfs/dbraw/zinc/46/64/45/710466445.db2.gz AGUCIFRWHDLXMM-UHFFFAOYSA-N 2 1 331.464 1.976 20 0 EDADMP CCc1nocc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003636942 710466802 /nfs/dbraw/zinc/46/68/02/710466802.db2.gz YTAOSWOUFSZWFH-XJKSGUPXSA-N 2 1 334.464 1.515 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1 ZINC001034659775 710589159 /nfs/dbraw/zinc/58/91/59/710589159.db2.gz ZLYYMOYVTHURCN-TVFCKZIOSA-N 2 1 337.508 1.914 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001034672864 710606995 /nfs/dbraw/zinc/60/69/95/710606995.db2.gz SVKLXSYCRLSHPL-BQFCYCMXSA-N 2 1 345.491 1.786 20 0 EDADMP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034673601 710611973 /nfs/dbraw/zinc/61/19/73/710611973.db2.gz DEZQTEGNZCUHHM-BFYDXBDKSA-N 2 1 348.495 1.299 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](C)O2)CC1 ZINC001034693068 710783734 /nfs/dbraw/zinc/78/37/34/710783734.db2.gz UGNCFELDIKPVOZ-QBPKDAKJSA-N 2 1 334.464 1.776 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)no1 ZINC001034736183 710922563 /nfs/dbraw/zinc/92/25/63/710922563.db2.gz RYRIXZVBTVYKHY-BPUTZDHNSA-N 2 1 334.464 1.984 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034736970 710947857 /nfs/dbraw/zinc/94/78/57/710947857.db2.gz FSXWUNSCJVZSKY-STECZYCISA-N 2 1 334.464 1.698 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)nn1 ZINC001034738225 710953770 /nfs/dbraw/zinc/95/37/70/710953770.db2.gz RRWNXHPKKOQRTG-BZUAXINKSA-N 2 1 348.495 1.299 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ncccn2)CC1 ZINC001034794622 711111708 /nfs/dbraw/zinc/11/17/08/711111708.db2.gz LDNDUVUFUBURJU-FVQBIDKESA-N 2 1 342.447 1.760 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034793391 711124014 /nfs/dbraw/zinc/12/40/14/711124014.db2.gz YXWQVJKWVUQRTI-MGPQQGTHSA-N 2 1 335.452 1.101 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034793391 711124019 /nfs/dbraw/zinc/12/40/19/711124019.db2.gz YXWQVJKWVUQRTI-MGPQQGTHSA-N 2 1 335.452 1.101 20 0 EDADMP Cn1cncc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001034831887 711237905 /nfs/dbraw/zinc/23/79/05/711237905.db2.gz YLECBZBNBDVGFK-QGZVFWFLSA-N 2 1 341.459 1.278 20 0 EDADMP CCn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001034936242 711364879 /nfs/dbraw/zinc/36/48/79/711364879.db2.gz MKUGFIJIIHGFJX-HZPDHXFCSA-N 2 1 348.495 1.251 20 0 EDADMP CCn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001034936242 711364883 /nfs/dbraw/zinc/36/48/83/711364883.db2.gz MKUGFIJIIHGFJX-HZPDHXFCSA-N 2 1 348.495 1.251 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nncs1 ZINC001034953463 711417672 /nfs/dbraw/zinc/41/76/72/711417672.db2.gz BGYYZZZZDMVGAK-KGLIPLIRSA-N 2 1 337.493 1.493 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nncs1 ZINC001034953463 711417675 /nfs/dbraw/zinc/41/76/75/711417675.db2.gz BGYYZZZZDMVGAK-KGLIPLIRSA-N 2 1 337.493 1.493 20 0 EDADMP CCn1nnc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001034957730 711429769 /nfs/dbraw/zinc/42/97/69/711429769.db2.gz HAHRDAHSQQPGHG-MRXNPFEDSA-N 2 1 348.495 1.171 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cncc(F)c1)C1CCC1 ZINC001034957640 711429835 /nfs/dbraw/zinc/42/98/35/711429835.db2.gz DHQJCYILTYFDLE-QGZVFWFLSA-N 2 1 334.439 1.786 20 0 EDADMP Cc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001034958072 711431154 /nfs/dbraw/zinc/43/11/54/711431154.db2.gz YRRWTEAUCIXRCM-GOSISDBHSA-N 2 1 330.476 1.955 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cnc(C)nc2)CC[N@H+]1C ZINC001034941753 711446650 /nfs/dbraw/zinc/44/66/50/711446650.db2.gz WILJOIIDBLPLNS-FGTMMUONSA-N 2 1 345.491 1.596 20 0 EDADMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C4CCC4)nn3)C2)[C@@H]1C(C)C ZINC000922394618 711461161 /nfs/dbraw/zinc/46/11/61/711461161.db2.gz PKRVGPQBEJWWHS-YRXWBPOGSA-N 2 1 347.507 1.963 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C4CCC4)nn3)C2)[C@@H]1C(C)C ZINC000922394618 711461163 /nfs/dbraw/zinc/46/11/63/711461163.db2.gz PKRVGPQBEJWWHS-YRXWBPOGSA-N 2 1 347.507 1.963 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3c4c(nn3C)CCC4)C2)[C@H]1C(C)C ZINC000922394576 711461239 /nfs/dbraw/zinc/46/12/39/711461239.db2.gz OQQOLMZIBAFOTL-AFYVEPGGSA-N 2 1 346.519 1.868 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001004159428 711584039 /nfs/dbraw/zinc/58/40/39/711584039.db2.gz AUXKGXYOXCXVBV-CQSZACIVSA-N 2 1 342.390 1.196 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922516639 711635828 /nfs/dbraw/zinc/63/58/28/711635828.db2.gz SQRWWJYSFUMIJN-PMPSAXMXSA-N 2 1 342.553 1.986 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001004187051 711639426 /nfs/dbraw/zinc/63/94/26/711639426.db2.gz YJYAGYZSQXRKAA-INIZCTEOSA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001004187051 711639432 /nfs/dbraw/zinc/63/94/32/711639432.db2.gz YJYAGYZSQXRKAA-INIZCTEOSA-N 2 1 325.497 1.724 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000922510218 711639814 /nfs/dbraw/zinc/63/98/14/711639814.db2.gz LHDVJISKADXAGC-DOTOQJQBSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922510218 711639817 /nfs/dbraw/zinc/63/98/17/711639817.db2.gz LHDVJISKADXAGC-DOTOQJQBSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000922510218 711639820 /nfs/dbraw/zinc/63/98/20/711639820.db2.gz LHDVJISKADXAGC-DOTOQJQBSA-N 2 1 340.512 1.659 20 0 EDADMP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033121837 711849134 /nfs/dbraw/zinc/84/91/34/711849134.db2.gz IFCGKZGRNLCUCR-HIFRSBDPSA-N 2 1 339.505 1.991 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033121837 711849137 /nfs/dbraw/zinc/84/91/37/711849137.db2.gz IFCGKZGRNLCUCR-HIFRSBDPSA-N 2 1 339.505 1.991 20 0 EDADMP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033124430 711870972 /nfs/dbraw/zinc/87/09/72/711870972.db2.gz XEFNWSBOLHXUSN-ZFWWWQNUSA-N 2 1 339.505 1.991 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033124430 711870973 /nfs/dbraw/zinc/87/09/73/711870973.db2.gz XEFNWSBOLHXUSN-ZFWWWQNUSA-N 2 1 339.505 1.991 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004483947 711874893 /nfs/dbraw/zinc/87/48/93/711874893.db2.gz KMTCAUANTATHMF-QGZVFWFLSA-N 2 1 334.464 1.277 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004483947 711874894 /nfs/dbraw/zinc/87/48/94/711874894.db2.gz KMTCAUANTATHMF-QGZVFWFLSA-N 2 1 334.464 1.277 20 0 EDADMP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946624029 711927140 /nfs/dbraw/zinc/92/71/40/711927140.db2.gz ZJSUEALVUMCUMB-MWDXBVQZSA-N 2 1 346.475 1.312 20 0 EDADMP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946624029 711927142 /nfs/dbraw/zinc/92/71/42/711927142.db2.gz ZJSUEALVUMCUMB-MWDXBVQZSA-N 2 1 346.475 1.312 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144636 711968504 /nfs/dbraw/zinc/96/85/04/711968504.db2.gz ZVWVGGJQERGRTB-WMZOPIPTSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033144636 711968506 /nfs/dbraw/zinc/96/85/06/711968506.db2.gz ZVWVGGJQERGRTB-WMZOPIPTSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144636 711968507 /nfs/dbraw/zinc/96/85/07/711968507.db2.gz ZVWVGGJQERGRTB-WMZOPIPTSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144636 711968510 /nfs/dbraw/zinc/96/85/10/711968510.db2.gz ZVWVGGJQERGRTB-WMZOPIPTSA-N 2 1 348.491 1.994 20 0 EDADMP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]2C1 ZINC000946678258 712370546 /nfs/dbraw/zinc/37/05/46/712370546.db2.gz WLRRWQRFQHJOBG-HRCADAONSA-N 2 1 342.443 1.499 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000344599266 282212691 /nfs/dbraw/zinc/21/26/91/282212691.db2.gz VKKCQGFSWXAIDD-FPCVCCKLSA-N 2 1 341.521 1.134 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)CCn2ccnc2)cc[nH+]1 ZINC000348178238 282324240 /nfs/dbraw/zinc/32/42/40/282324240.db2.gz LXVKHRYPXMHRCB-CABCVRRESA-N 2 1 347.442 1.288 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)CCn2ccnc2)cc[nH+]1 ZINC000348178238 282324243 /nfs/dbraw/zinc/32/42/43/282324243.db2.gz LXVKHRYPXMHRCB-CABCVRRESA-N 2 1 347.442 1.288 20 0 EDADMP CN(c1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1)C1CC[NH+](C)CC1 ZINC000174139345 530035279 /nfs/dbraw/zinc/03/52/79/530035279.db2.gz PRDWYRFNRJZFCV-SFHVURJKSA-N 2 1 346.475 1.486 20 0 EDADMP CN(c1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1)C1CC[NH+](C)CC1 ZINC000174139345 530035280 /nfs/dbraw/zinc/03/52/80/530035280.db2.gz PRDWYRFNRJZFCV-SFHVURJKSA-N 2 1 346.475 1.486 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000560519366 306273288 /nfs/dbraw/zinc/27/32/88/306273288.db2.gz QCCPYOXWBWFWAM-KRWDZBQOSA-N 2 1 336.455 1.993 20 0 EDADMP CC[C@H]1C[NH+](C)CCN1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000560519366 306273289 /nfs/dbraw/zinc/27/32/89/306273289.db2.gz QCCPYOXWBWFWAM-KRWDZBQOSA-N 2 1 336.455 1.993 20 0 EDADMP CC[C@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000560519366 306273290 /nfs/dbraw/zinc/27/32/90/306273290.db2.gz QCCPYOXWBWFWAM-KRWDZBQOSA-N 2 1 336.455 1.993 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)C[C@H]12 ZINC000333948095 539662148 /nfs/dbraw/zinc/66/21/48/539662148.db2.gz WBWFYUBDEPNBOG-VHDGCEQUSA-N 2 1 334.489 1.485 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)C[C@H]12 ZINC000333948095 539662152 /nfs/dbraw/zinc/66/21/52/539662152.db2.gz WBWFYUBDEPNBOG-VHDGCEQUSA-N 2 1 334.489 1.485 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)COc1ccc(F)c(F)c1 ZINC000339068761 539699956 /nfs/dbraw/zinc/69/99/56/539699956.db2.gz PTTURXLPISNIMI-HZSPNIEDSA-N 2 1 326.387 1.921 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1c1ccc(Cl)cc1 ZINC000562808847 306309840 /nfs/dbraw/zinc/30/98/40/306309840.db2.gz GJBCQFFTNHWLML-ZVDSWSACSA-N 2 1 334.851 1.602 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1c1ccc(Cl)cc1 ZINC000562808847 306309841 /nfs/dbraw/zinc/30/98/41/306309841.db2.gz GJBCQFFTNHWLML-ZVDSWSACSA-N 2 1 334.851 1.602 20 0 EDADMP Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1CC[NH2+]1 ZINC000563089819 306318581 /nfs/dbraw/zinc/31/85/81/306318581.db2.gz AEHHDNNRIKPCQD-DLBZAZTESA-N 2 1 339.443 1.939 20 0 EDADMP C[NH2+]C[C@H](O)C[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000563143401 306320075 /nfs/dbraw/zinc/32/00/75/306320075.db2.gz RHKYXAKNTDVLFR-INIZCTEOSA-N 2 1 343.427 1.977 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000493897478 540050290 /nfs/dbraw/zinc/05/02/90/540050290.db2.gz OMAMYZQFOKPINJ-NZSAHSFTSA-N 2 1 349.519 1.866 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCCOCC1 ZINC000187031433 540153279 /nfs/dbraw/zinc/15/32/79/540153279.db2.gz WKELBJNAEVUBMG-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187031433 540153282 /nfs/dbraw/zinc/15/32/82/540153282.db2.gz WKELBJNAEVUBMG-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000187031433 540153285 /nfs/dbraw/zinc/15/32/85/540153285.db2.gz WKELBJNAEVUBMG-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)[C@H]1c1ccccc1 ZINC000333487190 283124502 /nfs/dbraw/zinc/12/45/02/283124502.db2.gz CAWAKJGGRGLXEM-KFGODFMUSA-N 2 1 328.460 1.811 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000360886071 283175533 /nfs/dbraw/zinc/17/55/33/283175533.db2.gz FMHSRVAGBFIUAO-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000360886071 283175538 /nfs/dbraw/zinc/17/55/38/283175538.db2.gz FMHSRVAGBFIUAO-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000360886071 283175542 /nfs/dbraw/zinc/17/55/42/283175542.db2.gz FMHSRVAGBFIUAO-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000563545960 306338347 /nfs/dbraw/zinc/33/83/47/306338347.db2.gz XYKILWCZIYLXGU-BBWFWOEESA-N 2 1 338.496 1.031 20 0 EDADMP C[NH+](C)CCC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000092381208 138288513 /nfs/dbraw/zinc/28/85/13/138288513.db2.gz WWDUJFUKVMFVPD-UHFFFAOYSA-N 3 1 346.523 1.392 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093193250 138292519 /nfs/dbraw/zinc/29/25/19/138292519.db2.gz MZUJQAQPFULOCT-UHFFFAOYSA-N 2 1 330.476 1.766 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000106514805 138302917 /nfs/dbraw/zinc/30/29/17/138302917.db2.gz BJWVGNCJEPRLLS-CQSZACIVSA-N 2 1 339.528 1.231 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125510523 138334619 /nfs/dbraw/zinc/33/46/19/138334619.db2.gz VIVFXGJZFRVLPN-INIZCTEOSA-N 2 1 336.480 1.835 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125510523 138334620 /nfs/dbraw/zinc/33/46/20/138334620.db2.gz VIVFXGJZFRVLPN-INIZCTEOSA-N 2 1 336.480 1.835 20 0 EDADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000563697953 306345342 /nfs/dbraw/zinc/34/53/42/306345342.db2.gz WWNPSLJSNUAEDD-HNNXBMFYSA-N 2 1 332.448 1.971 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cnc(C)o3)CC2)CC1 ZINC000563819878 306348726 /nfs/dbraw/zinc/34/87/26/306348726.db2.gz PVDXMUSKGINAJI-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[NH2+]C2CCCCCC2)[C@@H](C)C1 ZINC000564064088 306354586 /nfs/dbraw/zinc/35/45/86/306354586.db2.gz GFUMVMLEPMTVML-JKSUJKDBSA-N 2 1 340.512 1.395 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000413832375 304079389 /nfs/dbraw/zinc/07/93/89/304079389.db2.gz HWBONRGDFBZKMJ-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000413832375 304079390 /nfs/dbraw/zinc/07/93/90/304079390.db2.gz HWBONRGDFBZKMJ-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000413832375 304079392 /nfs/dbraw/zinc/07/93/92/304079392.db2.gz HWBONRGDFBZKMJ-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)CC[NH2+]C2CC2)CC1 ZINC000565215129 306378860 /nfs/dbraw/zinc/37/88/60/306378860.db2.gz RBESTLOYBKPIJR-UHFFFAOYSA-N 2 1 344.503 1.582 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000565753244 306390665 /nfs/dbraw/zinc/39/06/65/306390665.db2.gz QXEPIDMVWQTCJH-GLJUWKHASA-N 2 1 330.476 1.671 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000565753244 306390666 /nfs/dbraw/zinc/39/06/66/306390666.db2.gz QXEPIDMVWQTCJH-GLJUWKHASA-N 2 1 330.476 1.671 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000565753244 306390667 /nfs/dbraw/zinc/39/06/67/306390667.db2.gz QXEPIDMVWQTCJH-GLJUWKHASA-N 2 1 330.476 1.671 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000565753244 306390668 /nfs/dbraw/zinc/39/06/68/306390668.db2.gz QXEPIDMVWQTCJH-GLJUWKHASA-N 2 1 330.476 1.671 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000414694841 304128289 /nfs/dbraw/zinc/12/82/89/304128289.db2.gz GFEODWVBHCKWRQ-IRXDYDNUSA-N 2 1 342.443 1.014 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC000414737067 304134884 /nfs/dbraw/zinc/13/48/84/304134884.db2.gz IILUWQWUSXIUEZ-MRXNPFEDSA-N 2 1 332.448 1.335 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000414749803 304137284 /nfs/dbraw/zinc/13/72/84/304137284.db2.gz WPGIGYYZMZLZDL-LSDHHAIUSA-N 2 1 346.475 1.581 20 0 EDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496629341 296130729 /nfs/dbraw/zinc/13/07/29/296130729.db2.gz CMPRXCWGJDDCMP-VKJFTORMSA-N 2 1 341.496 1.821 20 0 EDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496629341 296130730 /nfs/dbraw/zinc/13/07/30/296130730.db2.gz CMPRXCWGJDDCMP-VKJFTORMSA-N 2 1 341.496 1.821 20 0 EDADMP CC(C)C[C@@H]([NH3+])CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000415092977 304159124 /nfs/dbraw/zinc/15/91/24/304159124.db2.gz UOKLKHOBXLWTHO-RBUKOAKNSA-N 2 1 346.519 1.847 20 0 EDADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000415092977 304159126 /nfs/dbraw/zinc/15/91/26/304159126.db2.gz UOKLKHOBXLWTHO-RBUKOAKNSA-N 3 1 346.519 1.847 20 0 EDADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000415092977 304159128 /nfs/dbraw/zinc/15/91/28/304159128.db2.gz UOKLKHOBXLWTHO-RBUKOAKNSA-N 3 1 346.519 1.847 20 0 EDADMP [NH3+]CCc1nc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cs1 ZINC000194828470 139000912 /nfs/dbraw/zinc/00/09/12/139000912.db2.gz WDTORDBNKOBGNS-UHFFFAOYSA-N 2 1 330.457 1.432 20 0 EDADMP [NH3+]CCc1nc(C(=O)NCC[N@H+]2CCc3ccccc3C2)cs1 ZINC000194828470 139000913 /nfs/dbraw/zinc/00/09/13/139000913.db2.gz WDTORDBNKOBGNS-UHFFFAOYSA-N 2 1 330.457 1.432 20 0 EDADMP c1cc(N2CCCC2)ncc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415141686 304164024 /nfs/dbraw/zinc/16/40/24/304164024.db2.gz PTBNEPYUWLQGNT-MSOLQXFVSA-N 2 1 342.487 1.882 20 0 EDADMP O=C1N[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415143160 304164043 /nfs/dbraw/zinc/16/40/43/304164043.db2.gz SATGFRXCBLJIEJ-SJORKVTESA-N 2 1 332.423 1.546 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415143160 304164045 /nfs/dbraw/zinc/16/40/45/304164045.db2.gz SATGFRXCBLJIEJ-SJORKVTESA-N 2 1 332.423 1.546 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C[C@@H]1C ZINC000415149742 304165598 /nfs/dbraw/zinc/16/55/98/304165598.db2.gz NVDLOMRFRPSUOC-IHRRRGAJSA-N 2 1 332.448 1.586 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C[C@@H]1C ZINC000415149742 304165600 /nfs/dbraw/zinc/16/56/00/304165600.db2.gz NVDLOMRFRPSUOC-IHRRRGAJSA-N 2 1 332.448 1.586 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000237210888 139044461 /nfs/dbraw/zinc/04/44/61/139044461.db2.gz OUBVYRSDCKCEDO-LJQANCHMSA-N 2 1 346.475 1.251 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)C[C@@H]([NH3+])c3ccccc3)CC2)CCO1 ZINC000237601100 139055264 /nfs/dbraw/zinc/05/52/64/139055264.db2.gz VSSOYBMGPVTIBX-MAUKXSAKSA-N 2 1 331.460 1.788 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000237684964 139057896 /nfs/dbraw/zinc/05/78/96/139057896.db2.gz SHZFXEZPMVKILC-YJBOKZPZSA-N 2 1 330.476 1.798 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000081032366 217353428 /nfs/dbraw/zinc/35/34/28/217353428.db2.gz LEXRBBFCHIFOAZ-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000081032366 217353429 /nfs/dbraw/zinc/35/34/29/217353429.db2.gz LEXRBBFCHIFOAZ-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000081032366 217353432 /nfs/dbraw/zinc/35/34/32/217353432.db2.gz LEXRBBFCHIFOAZ-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000081032366 217353434 /nfs/dbraw/zinc/35/34/34/217353434.db2.gz LEXRBBFCHIFOAZ-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184582042 296199857 /nfs/dbraw/zinc/19/98/57/296199857.db2.gz OSLWDLRXZZOHPR-NJAFHUGGSA-N 2 1 333.476 1.641 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)C1 ZINC000237914915 139063624 /nfs/dbraw/zinc/06/36/24/139063624.db2.gz VOQBNSCHLKUXBB-MRXNPFEDSA-N 2 1 344.459 1.322 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000238089786 139068833 /nfs/dbraw/zinc/06/88/33/139068833.db2.gz MRLGLQWYCSUOIV-KRWDZBQOSA-N 2 1 349.500 1.230 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000111858147 220212096 /nfs/dbraw/zinc/21/20/96/220212096.db2.gz QLUYYRMOKUIZGJ-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000111858147 220212106 /nfs/dbraw/zinc/21/21/06/220212106.db2.gz QLUYYRMOKUIZGJ-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000246110254 139095216 /nfs/dbraw/zinc/09/52/16/139095216.db2.gz IDUWPSHCVHUNQY-RTBURBONSA-N 2 1 345.487 1.388 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000246110254 139095217 /nfs/dbraw/zinc/09/52/17/139095217.db2.gz IDUWPSHCVHUNQY-RTBURBONSA-N 2 1 345.487 1.388 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000246110254 139095218 /nfs/dbraw/zinc/09/52/18/139095218.db2.gz IDUWPSHCVHUNQY-RTBURBONSA-N 2 1 345.487 1.388 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000246110254 139095219 /nfs/dbraw/zinc/09/52/19/139095219.db2.gz IDUWPSHCVHUNQY-RTBURBONSA-N 2 1 345.487 1.388 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246176223 139097773 /nfs/dbraw/zinc/09/77/73/139097773.db2.gz JPQFESVRWDXCDJ-RBUKOAKNSA-N 2 1 348.487 1.990 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC2(C)C)cc1 ZINC000415297323 304188307 /nfs/dbraw/zinc/18/83/07/304188307.db2.gz NMJXUCQSPYJHCN-CYBMUJFWSA-N 2 1 332.448 1.635 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000247048953 139133110 /nfs/dbraw/zinc/13/31/10/139133110.db2.gz NKCFPOXEAJJJCL-IXDOHACOSA-N 2 1 339.528 1.042 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000247452509 139148931 /nfs/dbraw/zinc/14/89/31/139148931.db2.gz ZXKVNIAEJAOSGL-NUJGCVRESA-N 2 1 345.487 1.977 20 0 EDADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000247472446 139149614 /nfs/dbraw/zinc/14/96/14/139149614.db2.gz HFAXZHSLBJCMAM-IRXDYDNUSA-N 2 1 338.540 1.639 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000247472446 139149615 /nfs/dbraw/zinc/14/96/15/139149615.db2.gz HFAXZHSLBJCMAM-IRXDYDNUSA-N 2 1 338.540 1.639 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000247681581 139154003 /nfs/dbraw/zinc/15/40/03/139154003.db2.gz ZRLFNXXRLPMVJP-OGWHTMIXSA-N 2 1 345.487 1.590 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000247681581 139154004 /nfs/dbraw/zinc/15/40/04/139154004.db2.gz ZRLFNXXRLPMVJP-OGWHTMIXSA-N 2 1 345.487 1.590 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000247681581 139154005 /nfs/dbraw/zinc/15/40/05/139154005.db2.gz ZRLFNXXRLPMVJP-OGWHTMIXSA-N 2 1 345.487 1.590 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000247681581 139154006 /nfs/dbraw/zinc/15/40/06/139154006.db2.gz ZRLFNXXRLPMVJP-OGWHTMIXSA-N 2 1 345.487 1.590 20 0 EDADMP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248741508 139173919 /nfs/dbraw/zinc/17/39/19/139173919.db2.gz DOZCPZGKFKSZGM-CYGHRXIMSA-N 2 1 333.476 1.639 20 0 EDADMP CCNC(=O)NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821412 218172163 /nfs/dbraw/zinc/17/21/63/218172163.db2.gz OBIYBTJNFJOPAC-UHFFFAOYSA-N 2 1 347.463 1.466 20 0 EDADMP CCOCC[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093311487 218212682 /nfs/dbraw/zinc/21/26/82/218212682.db2.gz GNTMLFBSTXSUCY-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP CCOCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093311487 218212684 /nfs/dbraw/zinc/21/26/84/218212684.db2.gz GNTMLFBSTXSUCY-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP CCOCC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093311487 218212686 /nfs/dbraw/zinc/21/26/86/218212686.db2.gz GNTMLFBSTXSUCY-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP CCOCC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093311487 218212687 /nfs/dbraw/zinc/21/26/87/218212687.db2.gz GNTMLFBSTXSUCY-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C[C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000249278038 139190168 /nfs/dbraw/zinc/19/01/68/139190168.db2.gz DXOCCUHVQXZPNW-QRVBRYPASA-N 2 1 347.503 1.888 20 0 EDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c2C1 ZINC000415418115 304219025 /nfs/dbraw/zinc/21/90/25/304219025.db2.gz NZLGMUJNLGEDHB-KGLIPLIRSA-N 2 1 346.475 1.791 20 0 EDADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000249857799 139199399 /nfs/dbraw/zinc/19/93/99/139199399.db2.gz DUCMESCGBLNTOT-KGLIPLIRSA-N 2 1 347.463 1.828 20 0 EDADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@@H](CNc2ccccn2)C1 ZINC000249857799 139199400 /nfs/dbraw/zinc/19/94/00/139199400.db2.gz DUCMESCGBLNTOT-KGLIPLIRSA-N 2 1 347.463 1.828 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000252449877 139204647 /nfs/dbraw/zinc/20/46/47/139204647.db2.gz PPDZCUOIHVBVBQ-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC000252977984 139205540 /nfs/dbraw/zinc/20/55/40/139205540.db2.gz XJKUATWEEDWRAA-BBWFWOEESA-N 2 1 340.512 1.203 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261618287 139211527 /nfs/dbraw/zinc/21/15/27/139211527.db2.gz FSRBKQKCIUKATJ-AWEZNQCLSA-N 2 1 346.406 1.768 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261660602 139215290 /nfs/dbraw/zinc/21/52/90/139215290.db2.gz FQQPZDLQTDVIMG-IQUTYRLHSA-N 2 1 347.459 1.694 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261660602 139215291 /nfs/dbraw/zinc/21/52/91/139215291.db2.gz FQQPZDLQTDVIMG-IQUTYRLHSA-N 2 1 347.459 1.694 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000261746337 139222606 /nfs/dbraw/zinc/22/26/06/139222606.db2.gz UCTBWBRRUZUBLM-AWEZNQCLSA-N 2 1 330.407 1.661 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]([NH3+])C2CCOCC2)cc1F ZINC000261787051 139225927 /nfs/dbraw/zinc/22/59/27/139225927.db2.gz GKHMYSNCECVXJH-QGZVFWFLSA-N 2 1 346.406 1.690 20 0 EDADMP CC(C)N(C)c1cnn([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c(=O)c1 ZINC000261826161 139229525 /nfs/dbraw/zinc/22/95/25/139229525.db2.gz QWLZALAMUSQHTR-IAGOWNOFSA-N 2 1 347.507 1.724 20 0 EDADMP CC(C)N(C)c1cnn([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c(=O)c1 ZINC000261826161 139229526 /nfs/dbraw/zinc/22/95/26/139229526.db2.gz QWLZALAMUSQHTR-IAGOWNOFSA-N 2 1 347.507 1.724 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3C[C@H](C[NH3+])C[C@H]3C)CC2)cs1 ZINC000261843012 139230858 /nfs/dbraw/zinc/23/08/58/139230858.db2.gz PHDFDXDOOUBFOW-OCCSQVGLSA-N 2 1 336.505 1.859 20 0 EDADMP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261919306 139237010 /nfs/dbraw/zinc/23/70/10/139237010.db2.gz YMTALRYABPNNRG-LIRRHRJNSA-N 2 1 328.460 1.886 20 0 EDADMP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261919306 139237011 /nfs/dbraw/zinc/23/70/11/139237011.db2.gz YMTALRYABPNNRG-LIRRHRJNSA-N 2 1 328.460 1.886 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000174860525 284828067 /nfs/dbraw/zinc/82/80/67/284828067.db2.gz YEMKZPCGDXICLO-DLBZAZTESA-N 2 1 340.512 1.469 20 0 EDADMP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261978092 139241337 /nfs/dbraw/zinc/24/13/37/139241337.db2.gz NWFJVLPBEOPSHG-SUMWQHHRSA-N 2 1 343.406 1.412 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000261979771 139241480 /nfs/dbraw/zinc/24/14/80/139241480.db2.gz RFWFAUKVVODFPI-USXIJHARSA-N 2 1 334.464 1.622 20 0 EDADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261985763 139241880 /nfs/dbraw/zinc/24/18/80/139241880.db2.gz SDDZPGXZHUEALT-OTWHNJEPSA-N 2 1 347.459 1.771 20 0 EDADMP COC(=O)c1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])oc1C ZINC000262039341 139245843 /nfs/dbraw/zinc/24/58/43/139245843.db2.gz OXEWHFZQAUHOBK-ZDUSSCGKSA-N 2 1 337.420 1.194 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])oc1C ZINC000262039341 139245844 /nfs/dbraw/zinc/24/58/44/139245844.db2.gz OXEWHFZQAUHOBK-ZDUSSCGKSA-N 2 1 337.420 1.194 20 0 EDADMP COc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1OC ZINC000262130407 139253591 /nfs/dbraw/zinc/25/35/91/139253591.db2.gz YCFUMZLVVMFCNC-HNNXBMFYSA-N 2 1 335.448 1.523 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000262170950 139257003 /nfs/dbraw/zinc/25/70/03/139257003.db2.gz XGCNJLGYXLZGRO-FQEVSTJZSA-N 2 1 346.519 1.828 20 0 EDADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NC3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000262160369 139256149 /nfs/dbraw/zinc/25/61/49/139256149.db2.gz NGADFEZIIUCSPP-GJZGRUSLSA-N 2 1 331.460 1.778 20 0 EDADMP CCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000262177924 139257582 /nfs/dbraw/zinc/25/75/82/139257582.db2.gz QUHNZNSCLGAVGW-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415964436 251039772 /nfs/dbraw/zinc/03/97/72/251039772.db2.gz SQCWIADYORNVFD-HNNXBMFYSA-N 2 1 342.447 1.957 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)NCC[NH+]1CCCOCC1 ZINC000416218449 251059409 /nfs/dbraw/zinc/05/94/09/251059409.db2.gz VFEGGJZYTFFMJV-UHFFFAOYSA-N 2 1 331.460 1.273 20 0 EDADMP O=C(CC[NH+]1CCc2ccccc2C1)NCC[N@@H+]1CCCOCC1 ZINC000416218449 251059413 /nfs/dbraw/zinc/05/94/13/251059413.db2.gz VFEGGJZYTFFMJV-UHFFFAOYSA-N 2 1 331.460 1.273 20 0 EDADMP O=C(CC[NH+]1CCc2ccccc2C1)NCC[N@H+]1CCCOCC1 ZINC000416218449 251059417 /nfs/dbraw/zinc/05/94/17/251059417.db2.gz VFEGGJZYTFFMJV-UHFFFAOYSA-N 2 1 331.460 1.273 20 0 EDADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000416790571 251110729 /nfs/dbraw/zinc/11/07/29/251110729.db2.gz MVGACQZLHDFFBA-SFHVURJKSA-N 2 1 348.491 1.831 20 0 EDADMP [NH3+]CC[C@H]1CCCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417013597 251131790 /nfs/dbraw/zinc/13/17/90/251131790.db2.gz YURYDGKPRRRQBX-MRXNPFEDSA-N 2 1 330.476 1.815 20 0 EDADMP C[C@H]1[NH2+]CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@H]1C ZINC000417024764 251138814 /nfs/dbraw/zinc/13/88/14/251138814.db2.gz MPIXDIISIMHBOF-CVEARBPZSA-N 2 1 330.476 1.827 20 0 EDADMP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000262352878 139272461 /nfs/dbraw/zinc/27/24/61/139272461.db2.gz JIJMDROMAHYKQP-MSOLQXFVSA-N 2 1 331.460 1.536 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000417566770 251191322 /nfs/dbraw/zinc/19/13/22/251191322.db2.gz MZHCIRLFJUSOTD-CABCVRRESA-N 2 1 326.485 1.175 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262379375 139274722 /nfs/dbraw/zinc/27/47/22/139274722.db2.gz MUIFHOLKJLMQHM-KBAYOESNSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417580803 251196401 /nfs/dbraw/zinc/19/64/01/251196401.db2.gz GDLXJJGBYVILHN-HUUCEWRRSA-N 2 1 340.512 1.835 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)[nH+]1 ZINC000417703504 251234013 /nfs/dbraw/zinc/23/40/13/251234013.db2.gz REHHGWIUBOKXKG-GOEBONIOSA-N 2 1 331.464 1.799 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000417674226 251224843 /nfs/dbraw/zinc/22/48/43/251224843.db2.gz YYKBPHUFGYLGLJ-PMPSAXMXSA-N 2 1 328.501 1.406 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000417761452 251259771 /nfs/dbraw/zinc/25/97/71/251259771.db2.gz ZCGMEOWRRDVMSQ-IAGOWNOFSA-N 2 1 339.528 1.091 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000417847033 251295215 /nfs/dbraw/zinc/29/52/15/251295215.db2.gz UNVVJCFOBJBJTC-NJAFHUGGSA-N 2 1 346.475 1.409 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)c2C1 ZINC000415578912 304231164 /nfs/dbraw/zinc/23/11/64/304231164.db2.gz PPSKPJPNKIATNY-KBPBESRZSA-N 2 1 344.459 1.546 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)c2C1 ZINC000415578912 304231167 /nfs/dbraw/zinc/23/11/67/304231167.db2.gz PPSKPJPNKIATNY-KBPBESRZSA-N 2 1 344.459 1.546 20 0 EDADMP C[C@@H](CCNC(=O)N1CCCO[C@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000417810901 251279042 /nfs/dbraw/zinc/27/90/42/251279042.db2.gz JAPXVUFVBYLAJW-FUHWJXTLSA-N 2 1 348.491 1.656 20 0 EDADMP C[NH2+]CC1CCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000417821144 251282348 /nfs/dbraw/zinc/28/23/48/251282348.db2.gz HYNHGGYVDAGGCA-UHFFFAOYSA-N 2 1 336.455 1.899 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000417991802 251319097 /nfs/dbraw/zinc/31/90/97/251319097.db2.gz LQCLHCHXZJGTQT-QZTJIDSGSA-N 2 1 346.475 1.147 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418080486 251320906 /nfs/dbraw/zinc/32/09/06/251320906.db2.gz RVGCTGCPPKXACV-OFQRWUPVSA-N 2 1 336.505 1.639 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418080486 251320912 /nfs/dbraw/zinc/32/09/12/251320912.db2.gz RVGCTGCPPKXACV-OFQRWUPVSA-N 2 1 336.505 1.639 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000418104694 251322683 /nfs/dbraw/zinc/32/26/83/251322683.db2.gz KJZWYYUWMPMTFW-SOLBZPMBSA-N 2 1 330.476 1.900 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418199044 251354998 /nfs/dbraw/zinc/35/49/98/251354998.db2.gz IKRPQQZRRHTESM-HNNXBMFYSA-N 2 1 328.501 1.422 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)C[C@@H]1C ZINC000418386367 251364136 /nfs/dbraw/zinc/36/41/36/251364136.db2.gz QARIRDXYIQJARE-GOEBONIOSA-N 2 1 326.485 1.256 20 0 EDADMP COCC[N@H+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)C[C@@H]1C ZINC000418386367 251364139 /nfs/dbraw/zinc/36/41/39/251364139.db2.gz QARIRDXYIQJARE-GOEBONIOSA-N 2 1 326.485 1.256 20 0 EDADMP [NH3+]CC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C(F)F ZINC000418712895 251393462 /nfs/dbraw/zinc/39/34/62/251393462.db2.gz ONGNRCABXBNMDI-HNNXBMFYSA-N 2 1 340.418 1.886 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)C3([NH3+])CCCC3)cc2)CC1 ZINC000262633370 139291730 /nfs/dbraw/zinc/29/17/30/139291730.db2.gz GLOZQDKPONCPMD-UHFFFAOYSA-N 2 1 346.475 1.523 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1([NH3+])CCCCC1 ZINC000262649676 139293039 /nfs/dbraw/zinc/29/30/39/139293039.db2.gz QFZZFVBTRTWQQZ-QGZVFWFLSA-N 2 1 344.503 1.975 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262702358 139297385 /nfs/dbraw/zinc/29/73/85/139297385.db2.gz CMYHGWCPIRJKCF-CVEARBPZSA-N 2 1 333.480 1.658 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262709955 139297975 /nfs/dbraw/zinc/29/79/75/139297975.db2.gz FDSHIUDIIXHXKT-PMPSAXMXSA-N 2 1 331.464 1.506 20 0 EDADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)C[NH3+])c2C1 ZINC000415598139 304236202 /nfs/dbraw/zinc/23/62/02/304236202.db2.gz KFQGOHJCBXJZLK-CHWSQXEVSA-N 2 1 332.448 1.449 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000423784326 252072032 /nfs/dbraw/zinc/07/20/32/252072032.db2.gz RADXVJTVHFSBGQ-QGTPRVQTSA-N 2 1 341.459 1.317 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000423784326 252072036 /nfs/dbraw/zinc/07/20/36/252072036.db2.gz RADXVJTVHFSBGQ-QGTPRVQTSA-N 2 1 341.459 1.317 20 0 EDADMP COCC[C@]1(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000423773559 252069024 /nfs/dbraw/zinc/06/90/24/252069024.db2.gz JPNQHOYYKCOEEP-IMFGXOCKSA-N 2 1 345.487 1.639 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1c[nH+]ccc1N ZINC000422904632 252019003 /nfs/dbraw/zinc/01/90/03/252019003.db2.gz XSBJFZBBQOVFBO-NWDGAFQWSA-N 2 1 331.372 1.313 20 0 EDADMP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000423857599 252094784 /nfs/dbraw/zinc/09/47/84/252094784.db2.gz XYEAZHLERJQKCU-GUDVDZBRSA-N 2 1 345.487 1.769 20 0 EDADMP C[C@@H]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C[NH3+] ZINC000424011844 252114442 /nfs/dbraw/zinc/11/44/42/252114442.db2.gz ZHLHXPJDECTLEU-NZSAHSFTSA-N 2 1 345.487 1.721 20 0 EDADMP C[C@@H]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C[NH3+] ZINC000424011844 252114445 /nfs/dbraw/zinc/11/44/45/252114445.db2.gz ZHLHXPJDECTLEU-NZSAHSFTSA-N 2 1 345.487 1.721 20 0 EDADMP Cn1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424132999 252135565 /nfs/dbraw/zinc/13/55/65/252135565.db2.gz LOXICQFKRLQKCA-RRFJBIMHSA-N 2 1 331.464 1.244 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000424436346 252229730 /nfs/dbraw/zinc/22/97/30/252229730.db2.gz MIBHOHMPWIUCIG-UHFFFAOYSA-N 2 1 347.507 1.943 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000424436346 252229733 /nfs/dbraw/zinc/22/97/33/252229733.db2.gz MIBHOHMPWIUCIG-UHFFFAOYSA-N 2 1 347.507 1.943 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424479868 252248281 /nfs/dbraw/zinc/24/82/81/252248281.db2.gz PDJLATSWHMUQOC-GBESFXJTSA-N 2 1 342.487 1.902 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000349917290 285021240 /nfs/dbraw/zinc/02/12/40/285021240.db2.gz RIWHPYXZSMAKNO-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246578838 285023190 /nfs/dbraw/zinc/02/31/90/285023190.db2.gz CDCWZCNULFOUIB-GVDBMIGSSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246578838 285023191 /nfs/dbraw/zinc/02/31/91/285023191.db2.gz CDCWZCNULFOUIB-GVDBMIGSSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246578838 285023192 /nfs/dbraw/zinc/02/31/92/285023192.db2.gz CDCWZCNULFOUIB-GVDBMIGSSA-N 2 1 338.496 1.223 20 0 EDADMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)ccc1OCc1ccncc1 ZINC000263123555 139323657 /nfs/dbraw/zinc/32/36/57/139323657.db2.gz BDASGTPIVRKLKW-IAGOWNOFSA-N 2 1 343.427 1.339 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000377344594 285203993 /nfs/dbraw/zinc/20/39/93/285203993.db2.gz IMSCIHWQUXLKBE-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000377344594 285203999 /nfs/dbraw/zinc/20/39/99/285203999.db2.gz IMSCIHWQUXLKBE-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000358418442 285228678 /nfs/dbraw/zinc/22/86/78/285228678.db2.gz HBLHVCQKSBMMPH-HNNXBMFYSA-N 2 1 342.553 1.845 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC(C)(C)C[NH+]2CCCC2)CCCO1 ZINC000458732465 254939442 /nfs/dbraw/zinc/93/94/42/254939442.db2.gz SVLYXLSRIVPLOC-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP OC1(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000368693829 285238602 /nfs/dbraw/zinc/23/86/02/285238602.db2.gz UZOHQPGOSUEHNR-MOPGFXCFSA-N 2 1 330.472 1.982 20 0 EDADMP OC1(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000368693829 285238604 /nfs/dbraw/zinc/23/86/04/285238604.db2.gz UZOHQPGOSUEHNR-MOPGFXCFSA-N 2 1 330.472 1.982 20 0 EDADMP OC1(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000368693829 285238605 /nfs/dbraw/zinc/23/86/05/285238605.db2.gz UZOHQPGOSUEHNR-MOPGFXCFSA-N 2 1 330.472 1.982 20 0 EDADMP COC(=O)CCCN1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459786781 255000790 /nfs/dbraw/zinc/00/07/90/255000790.db2.gz PKBQRGXGJJLHPP-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000471834884 255016157 /nfs/dbraw/zinc/01/61/57/255016157.db2.gz PLCFMPDWFWYMFN-OALUTQOASA-N 2 1 345.487 1.517 20 0 EDADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC(=O)N1CCOCC1 ZINC000471834884 255016159 /nfs/dbraw/zinc/01/61/59/255016159.db2.gz PLCFMPDWFWYMFN-OALUTQOASA-N 2 1 345.487 1.517 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)[C@H]2C)CC1 ZINC000488728093 255051334 /nfs/dbraw/zinc/05/13/34/255051334.db2.gz XQWFMEVRGAIBFW-LMMKCTJWSA-N 2 1 345.487 1.595 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CO)[C@H]2C)CC1 ZINC000488728093 255051335 /nfs/dbraw/zinc/05/13/35/255051335.db2.gz XQWFMEVRGAIBFW-LMMKCTJWSA-N 2 1 345.487 1.595 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000433450991 285244836 /nfs/dbraw/zinc/24/48/36/285244836.db2.gz AXAPUVZKNACQFA-GVDBMIGSSA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCOC[C@H]1C ZINC000433450989 285245073 /nfs/dbraw/zinc/24/50/73/285245073.db2.gz AXAPUVZKNACQFA-BRWVUGGUSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000490093254 255078618 /nfs/dbraw/zinc/07/86/18/255078618.db2.gz AJVNDNLMLYCVCX-QZTJIDSGSA-N 2 1 349.475 1.143 20 0 EDADMP COCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000490093254 255078620 /nfs/dbraw/zinc/07/86/20/255078620.db2.gz AJVNDNLMLYCVCX-QZTJIDSGSA-N 2 1 349.475 1.143 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C/c2cscn2)CC1 ZINC000491387955 255124777 /nfs/dbraw/zinc/12/47/77/255124777.db2.gz ROLYTTICHUBFJY-NSCUHMNNSA-N 2 1 329.429 1.942 20 0 EDADMP C[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000496178895 255361905 /nfs/dbraw/zinc/36/19/05/255361905.db2.gz OWQTVUCDDSLXAA-KGLIPLIRSA-N 2 1 341.500 1.888 20 0 EDADMP CN(C[C@H](O)C[N@H+](C)CCC[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000496193878 255362616 /nfs/dbraw/zinc/36/26/16/255362616.db2.gz DYMDNLYVQGAFCM-OAHLLOKOSA-N 2 1 329.485 1.632 20 0 EDADMP CN(C[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000496193878 255362617 /nfs/dbraw/zinc/36/26/17/255362617.db2.gz DYMDNLYVQGAFCM-OAHLLOKOSA-N 2 1 329.485 1.632 20 0 EDADMP C[N@@H+](C[C@H](O)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496390509 255391025 /nfs/dbraw/zinc/39/10/25/255391025.db2.gz AEZYWXLKKBXTRU-HIFRSBDPSA-N 2 1 327.469 1.431 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000496483460 255397755 /nfs/dbraw/zinc/39/77/55/255397755.db2.gz YRXSVZQHEPIECM-UHFFFAOYSA-N 2 1 342.528 1.859 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000417752390 285320659 /nfs/dbraw/zinc/32/06/59/285320659.db2.gz MMQCWJUIPGAFFS-IKGGRYGDSA-N 2 1 339.528 1.029 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000264304178 139395528 /nfs/dbraw/zinc/39/55/28/139395528.db2.gz ORFWMRXFYXTEFP-CYBMUJFWSA-N 2 1 342.447 1.858 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000264304178 139395529 /nfs/dbraw/zinc/39/55/29/139395529.db2.gz ORFWMRXFYXTEFP-CYBMUJFWSA-N 2 1 342.447 1.858 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000415910981 304284942 /nfs/dbraw/zinc/28/49/42/304284942.db2.gz CSWZIODKZOWHHH-INIZCTEOSA-N 2 1 347.507 1.944 20 0 EDADMP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[N@@H+](C)CC3(C)C)c2)CC1 ZINC000270917773 140198203 /nfs/dbraw/zinc/19/82/03/140198203.db2.gz DQDVOUZLWSBMSM-UHFFFAOYSA-N 2 1 344.503 1.600 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)CC1 ZINC000331318446 141007052 /nfs/dbraw/zinc/00/70/52/141007052.db2.gz KDZSAJLATWNKKP-WBVHZDCISA-N 2 1 325.497 1.601 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)NC1CCC([NH3+])CC1 ZINC000331369444 141012553 /nfs/dbraw/zinc/01/25/53/141012553.db2.gz FSBFEYIVNRIOIR-XUJLQICISA-N 2 1 332.448 1.621 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccn1C ZINC000416386513 304313756 /nfs/dbraw/zinc/31/37/56/304313756.db2.gz RTVFCNOOOOPYKF-OAHLLOKOSA-N 2 1 342.509 1.062 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000333481220 141324277 /nfs/dbraw/zinc/32/42/77/141324277.db2.gz CDUXINXLMVSHHY-TWMKSMIVSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000333481220 141324278 /nfs/dbraw/zinc/32/42/78/141324278.db2.gz CDUXINXLMVSHHY-TWMKSMIVSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)ncn2)CC[N@H+](C2CC2)C1 ZINC000333678825 141355397 /nfs/dbraw/zinc/35/53/97/141355397.db2.gz KSKUQZZZAFKEBO-CVEARBPZSA-N 2 1 345.491 1.606 20 0 EDADMP [NH3+]C1CC[NH+](CCCc2nc(CC(=O)Nc3ccccc3)no2)CC1 ZINC000339354391 142025808 /nfs/dbraw/zinc/02/58/08/142025808.db2.gz IVALTCBDMRUVLD-UHFFFAOYSA-N 2 1 343.431 1.607 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](CCCCOc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000339408770 142040027 /nfs/dbraw/zinc/04/00/27/142040027.db2.gz VLKFBHGPANQXQR-GOSISDBHSA-N 2 1 345.487 1.989 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCOC[C@@H]1C ZINC000345719274 143125299 /nfs/dbraw/zinc/12/52/99/143125299.db2.gz BPPFYDWUUVYVLU-GVDBMIGSSA-N 2 1 325.497 1.534 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000345769575 143131494 /nfs/dbraw/zinc/13/14/94/143131494.db2.gz NRUIWYMZICVACD-IYBDPMFKSA-N 2 1 336.524 1.534 20 0 EDADMP CC[C@@H]1CN(C(=O)CSCC[NH+](CC)CC)CC[N@@H+]1C[C@@H](C)O ZINC000346265135 143185021 /nfs/dbraw/zinc/18/50/21/143185021.db2.gz RFFQWHRFMLBISL-HZPDHXFCSA-N 2 1 345.553 1.365 20 0 EDADMP CC[C@@H]1CN(C(=O)CSCC[NH+](CC)CC)CC[N@H+]1C[C@@H](C)O ZINC000346265135 143185022 /nfs/dbraw/zinc/18/50/22/143185022.db2.gz RFFQWHRFMLBISL-HZPDHXFCSA-N 2 1 345.553 1.365 20 0 EDADMP CCN(CC[NH+]1CCCCCC1)C(=O)CC[NH+]1CCN(CC)CC1 ZINC000346313353 143190643 /nfs/dbraw/zinc/19/06/43/143190643.db2.gz MEBUPGYNFUSPTE-UHFFFAOYSA-N 2 1 338.540 1.739 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCSCC2)[C@@H](C)C1 ZINC000346620967 143222955 /nfs/dbraw/zinc/22/29/55/143222955.db2.gz RVAYAVPRDOIWKM-IRXDYDNUSA-N 2 1 329.554 1.762 20 0 EDADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000346693350 143232775 /nfs/dbraw/zinc/23/27/75/143232775.db2.gz MLFXDEXYWMKWGF-RDJZCZTQSA-N 2 1 347.507 1.718 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C1 ZINC000346697607 143233390 /nfs/dbraw/zinc/23/33/90/143233390.db2.gz FHJGOCMWCNJCAI-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[N@H+](C)C1 ZINC000346697607 143233391 /nfs/dbraw/zinc/23/33/91/143233391.db2.gz FHJGOCMWCNJCAI-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[N@@H+](C)C1 ZINC000346697607 143233392 /nfs/dbraw/zinc/23/33/92/143233392.db2.gz FHJGOCMWCNJCAI-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000346960490 143266303 /nfs/dbraw/zinc/26/63/03/143266303.db2.gz HUIZSHWURBNNRQ-LSDHHAIUSA-N 2 1 325.497 1.865 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000346986793 143268711 /nfs/dbraw/zinc/26/87/11/143268711.db2.gz LMWWCWHZSDGXGG-KRWDZBQOSA-N 2 1 334.464 1.268 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000347042470 143275649 /nfs/dbraw/zinc/27/56/49/143275649.db2.gz LCFWXNCYFRNTKI-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000347042470 143275650 /nfs/dbraw/zinc/27/56/50/143275650.db2.gz LCFWXNCYFRNTKI-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000347042470 143275651 /nfs/dbraw/zinc/27/56/51/143275651.db2.gz LCFWXNCYFRNTKI-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000347050429 143276460 /nfs/dbraw/zinc/27/64/60/143276460.db2.gz NOLHZZSCUUEPAZ-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCC[NH+]1CCOCC1 ZINC000347350515 143311766 /nfs/dbraw/zinc/31/17/66/143311766.db2.gz WQMAIQDDXQDCKE-FGTMMUONSA-N 2 1 339.524 1.972 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCC[NH+]1CCOCC1 ZINC000347350515 143311767 /nfs/dbraw/zinc/31/17/67/143311767.db2.gz WQMAIQDDXQDCKE-FGTMMUONSA-N 2 1 339.524 1.972 20 0 EDADMP CC[C@H](C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1)[NH+](C)C ZINC000347485895 143327576 /nfs/dbraw/zinc/32/75/76/143327576.db2.gz PPNHMYUFIJTWFQ-QGZVFWFLSA-N 2 1 327.513 1.924 20 0 EDADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000348021198 143392074 /nfs/dbraw/zinc/39/20/74/143392074.db2.gz QVDJPMHKCUMXJS-CVEARBPZSA-N 2 1 340.512 1.166 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)C[C@@H]1CC ZINC000342664725 286084910 /nfs/dbraw/zinc/08/49/10/286084910.db2.gz QHYAVBJWGSWCQJ-SJORKVTESA-N 2 1 342.528 1.859 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000352663207 149106492 /nfs/dbraw/zinc/10/64/92/149106492.db2.gz DYCDTCLYFBIUIX-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000352663207 149106494 /nfs/dbraw/zinc/10/64/94/149106494.db2.gz DYCDTCLYFBIUIX-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1CCSCC1 ZINC000352681408 149115170 /nfs/dbraw/zinc/11/51/70/149115170.db2.gz YNJRKWMMAOIWAT-LSDHHAIUSA-N 2 1 328.526 1.455 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1CCSCC1 ZINC000352681408 149115172 /nfs/dbraw/zinc/11/51/72/149115172.db2.gz YNJRKWMMAOIWAT-LSDHHAIUSA-N 2 1 328.526 1.455 20 0 EDADMP C[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000352766007 149156642 /nfs/dbraw/zinc/15/66/42/149156642.db2.gz AXNVVWOWEWNTAJ-FGTMMUONSA-N 2 1 338.540 1.497 20 0 EDADMP C[C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000352766007 149156644 /nfs/dbraw/zinc/15/66/44/149156644.db2.gz AXNVVWOWEWNTAJ-FGTMMUONSA-N 2 1 338.540 1.497 20 0 EDADMP Cn1nnc2cc(C[NH+]3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)ccc21 ZINC000353405592 149394205 /nfs/dbraw/zinc/39/42/05/149394205.db2.gz OUVLIUHDFBFIFS-KRWDZBQOSA-N 2 1 342.491 1.570 20 0 EDADMP Cn1nnc2cc(C[NH+]3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)ccc21 ZINC000353405592 149394207 /nfs/dbraw/zinc/39/42/07/149394207.db2.gz OUVLIUHDFBFIFS-KRWDZBQOSA-N 2 1 342.491 1.570 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000416964113 304356300 /nfs/dbraw/zinc/35/63/00/304356300.db2.gz VOGVLSNXVHQHMD-GDBMZVCRSA-N 2 1 326.485 1.127 20 0 EDADMP C[NH+](C)CC1(CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CCCC1 ZINC000573548293 306623650 /nfs/dbraw/zinc/62/36/50/306623650.db2.gz UHYHNKYJVZKEJN-KRWDZBQOSA-N 2 1 345.491 1.860 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000416964114 304356490 /nfs/dbraw/zinc/35/64/90/304356490.db2.gz VOGVLSNXVHQHMD-GOEBONIOSA-N 2 1 326.485 1.127 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[NH2+]C[C@H]2CCSC2)cc[nH+]1 ZINC000354927579 150036818 /nfs/dbraw/zinc/03/68/18/150036818.db2.gz RZSJTZVJBYMUCQ-MGPQQGTHSA-N 2 1 339.484 1.802 20 0 EDADMP CC[N@@H+]1CCC[C@H](CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000355373030 150238826 /nfs/dbraw/zinc/23/88/26/150238826.db2.gz SEPYHQPWFBGXNE-OAHLLOKOSA-N 2 1 344.463 1.684 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000355373030 150238828 /nfs/dbraw/zinc/23/88/28/150238828.db2.gz SEPYHQPWFBGXNE-OAHLLOKOSA-N 2 1 344.463 1.684 20 0 EDADMP CCC[N@@H+](C)CC(=O)Nc1ccccc1C[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000355595406 150329226 /nfs/dbraw/zinc/32/92/26/150329226.db2.gz IOCAJEWVAFVPFL-MRXNPFEDSA-N 2 1 346.475 1.664 20 0 EDADMP CCC[NH+](C)CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000355595406 150329228 /nfs/dbraw/zinc/32/92/28/150329228.db2.gz IOCAJEWVAFVPFL-MRXNPFEDSA-N 2 1 346.475 1.664 20 0 EDADMP CCC[NH+](C)CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000355595406 150329230 /nfs/dbraw/zinc/32/92/30/150329230.db2.gz IOCAJEWVAFVPFL-MRXNPFEDSA-N 2 1 346.475 1.664 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](CO)CCC(C)(C)C)cn2)CC1 ZINC000355741308 150382125 /nfs/dbraw/zinc/38/21/25/150382125.db2.gz ZHRBJUIMIGIRRU-MRXNPFEDSA-N 2 1 335.496 1.505 20 0 EDADMP COC[C@@]1(CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000417042617 304365295 /nfs/dbraw/zinc/36/52/95/304365295.db2.gz LSXIVXTYGMPVKZ-WMZOPIPTSA-N 2 1 340.512 1.709 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417042940 304365626 /nfs/dbraw/zinc/36/56/26/304365626.db2.gz WVSOCJNEABXUFU-HDICACEKSA-N 2 1 328.460 1.296 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000358037550 151242565 /nfs/dbraw/zinc/24/25/65/151242565.db2.gz QSJBOEWLDJJYFN-MRXNPFEDSA-N 2 1 331.460 1.649 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000358037550 151242566 /nfs/dbraw/zinc/24/25/66/151242566.db2.gz QSJBOEWLDJJYFN-MRXNPFEDSA-N 2 1 331.460 1.649 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000358037550 151242568 /nfs/dbraw/zinc/24/25/68/151242568.db2.gz QSJBOEWLDJJYFN-MRXNPFEDSA-N 2 1 331.460 1.649 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000358037550 151242570 /nfs/dbraw/zinc/24/25/70/151242570.db2.gz QSJBOEWLDJJYFN-MRXNPFEDSA-N 2 1 331.460 1.649 20 0 EDADMP COCC[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000358078622 151262599 /nfs/dbraw/zinc/26/25/99/151262599.db2.gz CZGJVJKEBKRRMF-UHFFFAOYSA-N 2 1 345.487 1.992 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC000358305097 151331395 /nfs/dbraw/zinc/33/13/95/151331395.db2.gz WUVFWTNHOVUSHE-CABCVRRESA-N 2 1 342.553 1.938 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000358311153 151334102 /nfs/dbraw/zinc/33/41/02/151334102.db2.gz KMGHVGSOZZQUMB-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000358311153 151334104 /nfs/dbraw/zinc/33/41/04/151334104.db2.gz KMGHVGSOZZQUMB-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000358311153 151334106 /nfs/dbraw/zinc/33/41/06/151334106.db2.gz KMGHVGSOZZQUMB-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000358311153 151334109 /nfs/dbraw/zinc/33/41/09/151334109.db2.gz KMGHVGSOZZQUMB-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(CO)CCOCC2)[C@@H](C)C1 ZINC000358327615 151338315 /nfs/dbraw/zinc/33/83/15/151338315.db2.gz JPYUWLCTGFMDOC-IRXDYDNUSA-N 2 1 328.497 1.502 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000358433776 151374365 /nfs/dbraw/zinc/37/43/65/151374365.db2.gz IINSHJBDISEBTB-CVEARBPZSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000358433776 151374367 /nfs/dbraw/zinc/37/43/67/151374367.db2.gz IINSHJBDISEBTB-CVEARBPZSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000358433776 151374368 /nfs/dbraw/zinc/37/43/68/151374368.db2.gz IINSHJBDISEBTB-CVEARBPZSA-N 2 1 342.528 1.593 20 0 EDADMP CNC(=O)[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Cc1ccc(OC)c(F)c1 ZINC000573847717 306637044 /nfs/dbraw/zinc/63/70/44/306637044.db2.gz PKNXZXKJGNFVEX-NOLJZWGESA-N 2 1 337.439 1.469 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000358804102 151501675 /nfs/dbraw/zinc/50/16/75/151501675.db2.gz IIPRFYVHDJTDEO-QZTJIDSGSA-N 2 1 325.497 1.632 20 0 EDADMP C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)[NH3+] ZINC000417120185 304374604 /nfs/dbraw/zinc/37/46/04/304374604.db2.gz YRJQRDXZNZOWEA-XUWVNRHRSA-N 2 1 348.491 1.831 20 0 EDADMP C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)[NH3+] ZINC000417120185 304374605 /nfs/dbraw/zinc/37/46/05/304374605.db2.gz YRJQRDXZNZOWEA-XUWVNRHRSA-N 2 1 348.491 1.831 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCN1CCO[C@@H](CC)C1 ZINC000360804995 152212595 /nfs/dbraw/zinc/21/25/95/152212595.db2.gz ZHLZUSAJNVPCKG-CVEARBPZSA-N 2 1 328.501 1.517 20 0 EDADMP COc1cccc(CNC(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000360930220 152255177 /nfs/dbraw/zinc/25/51/77/152255177.db2.gz ZSHORHOFALMWDO-NEWSRXKRSA-N 2 1 343.471 1.728 20 0 EDADMP Cn1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c(C(F)F)n1 ZINC000361117832 152310185 /nfs/dbraw/zinc/31/01/85/152310185.db2.gz OXJFGOIYCTXUHD-UHFFFAOYSA-N 2 1 341.450 1.817 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000361125857 152313845 /nfs/dbraw/zinc/31/38/45/152313845.db2.gz TZXSJDGDBUKWPQ-SFHVURJKSA-N 2 1 334.435 1.972 20 0 EDADMP COc1ccc(NC(=O)C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000574062324 306642561 /nfs/dbraw/zinc/64/25/61/306642561.db2.gz DGORLTQSXGPAMJ-MJGOQNOKSA-N 2 1 347.459 1.852 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3C(N)=O)C2)CC[N@@H+]1C ZINC000363788068 153056771 /nfs/dbraw/zinc/05/67/71/153056771.db2.gz VYCJRZDQNNTRJQ-OWCLPIDISA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3C(N)=O)C2)CC[N@H+]1C ZINC000363788068 153056773 /nfs/dbraw/zinc/05/67/73/153056773.db2.gz VYCJRZDQNNTRJQ-OWCLPIDISA-N 2 1 330.476 1.827 20 0 EDADMP C[NH+](C)C1CCN(C(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)CC1 ZINC000364251936 153187816 /nfs/dbraw/zinc/18/78/16/153187816.db2.gz CLNYVEMFJWWCMB-LJQANCHMSA-N 2 1 331.460 1.779 20 0 EDADMP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000364255792 153189051 /nfs/dbraw/zinc/18/90/51/153189051.db2.gz OJGVEZMBPSBJJN-HOCLYGCPSA-N 2 1 336.484 1.344 20 0 EDADMP Fc1ccc(CN2CCN(CC[N@H+]3CCCOCC3)CC2)cc1F ZINC000364326534 153206375 /nfs/dbraw/zinc/20/63/75/153206375.db2.gz GKHKZVGBPTZCPL-UHFFFAOYSA-N 2 1 339.430 1.805 20 0 EDADMP C[NH+](C)CCOc1cc(CNC(=O)[C@H]2CCCc3[nH+]ccn32)ccn1 ZINC000365695256 153592081 /nfs/dbraw/zinc/59/20/81/153592081.db2.gz BWLIHZLCLOYOAQ-OAHLLOKOSA-N 2 1 343.431 1.412 20 0 EDADMP C[NH+](C)CCNC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367116469 154012584 /nfs/dbraw/zinc/01/25/84/154012584.db2.gz CWBBBEHCVNPCKJ-UHFFFAOYSA-N 3 1 339.528 1.044 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000367128388 154017225 /nfs/dbraw/zinc/01/72/25/154017225.db2.gz AEMFJDUWSBRGSG-MWDXBVQZSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000367128388 154017227 /nfs/dbraw/zinc/01/72/27/154017227.db2.gz AEMFJDUWSBRGSG-MWDXBVQZSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000367128388 154017230 /nfs/dbraw/zinc/01/72/30/154017230.db2.gz AEMFJDUWSBRGSG-MWDXBVQZSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000367128388 154017232 /nfs/dbraw/zinc/01/72/32/154017232.db2.gz AEMFJDUWSBRGSG-MWDXBVQZSA-N 2 1 336.480 1.166 20 0 EDADMP Cc1nccn1CCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000367168759 154027269 /nfs/dbraw/zinc/02/72/69/154027269.db2.gz WLCNUMKCIVIVQI-UHFFFAOYSA-N 2 1 347.507 1.458 20 0 EDADMP C[NH2+][C@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)c1cnn(C)c1 ZINC000367664356 154220514 /nfs/dbraw/zinc/22/05/14/154220514.db2.gz JDPOYJWBEIOTJJ-UYJHFMRCSA-N 2 1 347.507 1.840 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000417343779 304392944 /nfs/dbraw/zinc/39/29/44/304392944.db2.gz QTSUBJHNYMOVDI-SZVBFZGTSA-N 2 1 342.487 1.684 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000369417404 155020437 /nfs/dbraw/zinc/02/04/37/155020437.db2.gz BPMUDUGNIZEXJS-SJORKVTESA-N 2 1 338.496 1.367 20 0 EDADMP CN1CCN(C[C@@H]2CN(Cc3cnc4ccccc4c3)CCO2)CC1 ZINC000369451127 155040382 /nfs/dbraw/zinc/04/03/82/155040382.db2.gz HZJQBQPEUBGNOH-LJQANCHMSA-N 2 1 340.471 1.683 20 0 EDADMP CN1CC[NH+](C[C@@H]2CN(Cc3cnc4ccccc4c3)CCO2)CC1 ZINC000369451127 155040384 /nfs/dbraw/zinc/04/03/84/155040384.db2.gz HZJQBQPEUBGNOH-LJQANCHMSA-N 2 1 340.471 1.683 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000371598337 156024178 /nfs/dbraw/zinc/02/41/78/156024178.db2.gz GMXZWAXBWMCMBJ-QZTJIDSGSA-N 2 1 345.491 1.687 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000371598337 156024182 /nfs/dbraw/zinc/02/41/82/156024182.db2.gz GMXZWAXBWMCMBJ-QZTJIDSGSA-N 2 1 345.491 1.687 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000371598337 156024186 /nfs/dbraw/zinc/02/41/86/156024186.db2.gz GMXZWAXBWMCMBJ-QZTJIDSGSA-N 2 1 345.491 1.687 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417747010 292335375 /nfs/dbraw/zinc/33/53/75/292335375.db2.gz GQNMVGFSMGNEQS-INIZCTEOSA-N 2 1 340.512 1.374 20 0 EDADMP O=C(NCCCCN1CCOCC1)N1CCC(c2c[nH]cn2)CC1 ZINC000371907901 156163090 /nfs/dbraw/zinc/16/30/90/156163090.db2.gz VZSFUFKEDYQGML-UHFFFAOYSA-N 2 1 335.452 1.411 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCC1([NH+](C)C)CCOCC1 ZINC000372048257 156224984 /nfs/dbraw/zinc/22/49/84/156224984.db2.gz YHUJCHMFPWDQDN-KZNAEPCWSA-N 2 1 339.524 1.576 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000355387216 292348810 /nfs/dbraw/zinc/34/88/10/292348810.db2.gz SQTYETQATIZLQX-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)CC1 ZINC000377832447 158004691 /nfs/dbraw/zinc/00/46/91/158004691.db2.gz SAUPTZXRFNBZOD-PMACEKPBSA-N 2 1 331.504 1.690 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000377935111 158033365 /nfs/dbraw/zinc/03/33/65/158033365.db2.gz CXCAYYVELHZAQY-DISONHOPSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCO2)CC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000377935111 158033366 /nfs/dbraw/zinc/03/33/66/158033366.db2.gz CXCAYYVELHZAQY-DISONHOPSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCO2)CC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000377935111 158033367 /nfs/dbraw/zinc/03/33/67/158033367.db2.gz CXCAYYVELHZAQY-DISONHOPSA-N 2 1 337.508 1.722 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccnn1C ZINC000378012549 158056093 /nfs/dbraw/zinc/05/60/93/158056093.db2.gz WBCFYRFKXSHAIJ-UHFFFAOYSA-N 2 1 347.507 1.688 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000378205080 158109346 /nfs/dbraw/zinc/10/93/46/158109346.db2.gz MIBQAMSJNXEAPH-ROUUACIJSA-N 2 1 330.476 1.091 20 0 EDADMP Cn1cnc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000378284238 158129112 /nfs/dbraw/zinc/12/91/12/158129112.db2.gz DTDJZBAXVPHESQ-UHFFFAOYSA-N 2 1 333.480 1.346 20 0 EDADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H]3CCCS(=O)(=O)C3)C2)nc(C)[nH+]1 ZINC000378479161 158185323 /nfs/dbraw/zinc/18/53/23/158185323.db2.gz VHYWVBFBTPCBKB-CABCVRRESA-N 2 1 338.477 1.229 20 0 EDADMP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000378480914 158186389 /nfs/dbraw/zinc/18/63/89/158186389.db2.gz HUAYHEXNVDBLSY-OAHLLOKOSA-N 2 1 333.432 1.911 20 0 EDADMP CC[NH+](CC)CC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000051589576 287221225 /nfs/dbraw/zinc/22/12/25/287221225.db2.gz VXTMFCCVIVWHOG-QGZVFWFLSA-N 2 1 332.492 1.655 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000073660326 287262850 /nfs/dbraw/zinc/26/28/50/287262850.db2.gz TVLGQQAEKFTYDF-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000073866788 287265607 /nfs/dbraw/zinc/26/56/07/287265607.db2.gz TVPSCMKXVQCJHU-IXDOHACOSA-N 2 1 342.528 1.620 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000073866788 287265609 /nfs/dbraw/zinc/26/56/09/287265609.db2.gz TVPSCMKXVQCJHU-IXDOHACOSA-N 2 1 342.528 1.620 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000073866788 287265612 /nfs/dbraw/zinc/26/56/12/287265612.db2.gz TVPSCMKXVQCJHU-IXDOHACOSA-N 2 1 342.528 1.620 20 0 EDADMP C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000074100622 287267488 /nfs/dbraw/zinc/26/74/88/287267488.db2.gz SDCNMDYKROYYSE-ZBFHGGJFSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062715 287318775 /nfs/dbraw/zinc/31/87/75/287318775.db2.gz VERSTQKNXDKSER-BRWVUGGUSA-N 2 1 325.497 1.759 20 0 EDADMP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000158783872 225085314 /nfs/dbraw/zinc/08/53/14/225085314.db2.gz PARPHPBCXJBONC-SFHVURJKSA-N 2 1 348.466 1.202 20 0 EDADMP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000158783872 225085319 /nfs/dbraw/zinc/08/53/19/225085319.db2.gz PARPHPBCXJBONC-SFHVURJKSA-N 2 1 348.466 1.202 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000122139340 222022395 /nfs/dbraw/zinc/02/23/95/222022395.db2.gz FIIZKPOYAUGJBB-OAHLLOKOSA-N 2 1 325.497 1.724 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000171645850 227194522 /nfs/dbraw/zinc/19/45/22/227194522.db2.gz NBGDKQVUCNMXAB-UHFFFAOYSA-N 2 1 343.475 1.536 20 0 EDADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](CCc2cccs2)CC1 ZINC000418455822 304497359 /nfs/dbraw/zinc/49/73/59/304497359.db2.gz RYJBNDFVVMODQI-XYPWUTKMSA-N 2 1 348.516 1.901 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NC[C@]2(C)CCC[NH2+]C2)c2ccccc2)CC1 ZINC000273015263 267960820 /nfs/dbraw/zinc/96/08/20/267960820.db2.gz PLHKFTUENAMXSW-UYAOXDASSA-N 2 1 344.503 1.481 20 0 EDADMP COC(=O)CNC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274814386 268212750 /nfs/dbraw/zinc/21/27/50/268212750.db2.gz IMLTUFVIEKGJGI-WBVHZDCISA-N 2 1 347.459 1.166 20 0 EDADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000275932526 268384738 /nfs/dbraw/zinc/38/47/38/268384738.db2.gz KRDYYNJSFGURLA-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP C[NH+](Cc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000275932526 268384740 /nfs/dbraw/zinc/38/47/40/268384740.db2.gz KRDYYNJSFGURLA-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP C[NH+](Cc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000275932526 268384742 /nfs/dbraw/zinc/38/47/42/268384742.db2.gz KRDYYNJSFGURLA-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C2)[nH+]1 ZINC000284270933 274141043 /nfs/dbraw/zinc/14/10/43/274141043.db2.gz XKWNYNKRTPONGI-CVEARBPZSA-N 2 1 337.489 1.949 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C2)[nH+]1 ZINC000284270933 274141044 /nfs/dbraw/zinc/14/10/44/274141044.db2.gz XKWNYNKRTPONGI-CVEARBPZSA-N 2 1 337.489 1.949 20 0 EDADMP CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000420013447 276060111 /nfs/dbraw/zinc/06/01/11/276060111.db2.gz LEURMDZVIZAPNI-BFYDXBDKSA-N 2 1 346.475 1.134 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000345102516 276361408 /nfs/dbraw/zinc/36/14/08/276361408.db2.gz HHJFAOWIKSFOCG-OKZBNKHCSA-N 2 1 336.524 1.345 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc(C)n1 ZINC000347947350 276370829 /nfs/dbraw/zinc/37/08/29/276370829.db2.gz SMXALHFEMZOKST-MRXNPFEDSA-N 2 1 333.480 1.582 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000350321662 276388482 /nfs/dbraw/zinc/38/84/82/276388482.db2.gz RQQISCGWQNBTOX-LJQANCHMSA-N 2 1 344.503 1.345 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000354252032 277044997 /nfs/dbraw/zinc/04/49/97/277044997.db2.gz BYNLIZARDNGKMS-SJORKVTESA-N 2 1 345.491 1.389 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000354252032 277045000 /nfs/dbraw/zinc/04/50/00/277045000.db2.gz BYNLIZARDNGKMS-SJORKVTESA-N 2 1 345.491 1.389 20 0 EDADMP COC(=O)C[N@@H+](Cc1cc(OC)cc(OC)c1)CC1CC[NH2+]CC1 ZINC000261982379 277060725 /nfs/dbraw/zinc/06/07/25/277060725.db2.gz RMYDBSBYHSKEKZ-UHFFFAOYSA-N 2 1 336.432 1.678 20 0 EDADMP COC(=O)C[N@H+](Cc1cc(OC)cc(OC)c1)CC1CC[NH2+]CC1 ZINC000261982379 277060728 /nfs/dbraw/zinc/06/07/28/277060728.db2.gz RMYDBSBYHSKEKZ-UHFFFAOYSA-N 2 1 336.432 1.678 20 0 EDADMP C[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2C)[C@H]1c1ccc(F)cc1 ZINC000366854514 277063123 /nfs/dbraw/zinc/06/31/23/277063123.db2.gz PUYXCMHNEGXZIY-BRWVUGGUSA-N 2 1 334.439 1.964 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000366854514 277063124 /nfs/dbraw/zinc/06/31/24/277063124.db2.gz PUYXCMHNEGXZIY-BRWVUGGUSA-N 2 1 334.439 1.964 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000366854514 277063125 /nfs/dbraw/zinc/06/31/25/277063125.db2.gz PUYXCMHNEGXZIY-BRWVUGGUSA-N 2 1 334.439 1.964 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000378277511 277212312 /nfs/dbraw/zinc/21/23/12/277212312.db2.gz NFJDKWMKMCZZPY-MOPGFXCFSA-N 2 1 343.471 1.933 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000378277511 277212313 /nfs/dbraw/zinc/21/23/13/277212313.db2.gz NFJDKWMKMCZZPY-MOPGFXCFSA-N 2 1 343.471 1.933 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000378277511 277212314 /nfs/dbraw/zinc/21/23/14/277212314.db2.gz NFJDKWMKMCZZPY-MOPGFXCFSA-N 2 1 343.471 1.933 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000378277511 277212315 /nfs/dbraw/zinc/21/23/15/277212315.db2.gz NFJDKWMKMCZZPY-MOPGFXCFSA-N 2 1 343.471 1.933 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[NH+](C)C1 ZINC000348703196 277310163 /nfs/dbraw/zinc/31/01/63/277310163.db2.gz NINVCXVFRNEYGP-KZNAEPCWSA-N 2 1 337.508 1.961 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)[N@H+](C)C1 ZINC000348703196 277310164 /nfs/dbraw/zinc/31/01/64/277310164.db2.gz NINVCXVFRNEYGP-KZNAEPCWSA-N 2 1 337.508 1.961 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)[N@@H+](C)C1 ZINC000348703196 277310165 /nfs/dbraw/zinc/31/01/65/277310165.db2.gz NINVCXVFRNEYGP-KZNAEPCWSA-N 2 1 337.508 1.961 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000164843562 277966272 /nfs/dbraw/zinc/96/62/72/277966272.db2.gz LUHDWMOGIJZFIA-MDZRGWNJSA-N 2 1 345.487 1.769 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC[N@@H+]1C ZINC000345304075 278027619 /nfs/dbraw/zinc/02/76/19/278027619.db2.gz LLLGGBIYSBNGDH-LRCYWBKYSA-N 2 1 328.460 1.958 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC[N@H+]1C ZINC000345304075 278027620 /nfs/dbraw/zinc/02/76/20/278027620.db2.gz LLLGGBIYSBNGDH-LRCYWBKYSA-N 2 1 328.460 1.958 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C[C@@H]1C ZINC000351169864 278291102 /nfs/dbraw/zinc/29/11/02/278291102.db2.gz RFRCYZFFENDEFZ-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504837 278335980 /nfs/dbraw/zinc/33/59/80/278335980.db2.gz ITLWWARFOMCZMM-GJZGRUSLSA-N 2 1 336.480 1.466 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000351002535 279142097 /nfs/dbraw/zinc/14/20/97/279142097.db2.gz OCQJWJHFSUJDAC-XHSDSOJGSA-N 2 1 340.512 1.212 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000102066479 279193679 /nfs/dbraw/zinc/19/36/79/279193679.db2.gz OLTMABLDEKYWJX-UHFFFAOYSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000369046801 279335525 /nfs/dbraw/zinc/33/55/25/279335525.db2.gz ITDBDANJKBFKQZ-INMHGKMJSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000347890734 279350050 /nfs/dbraw/zinc/35/00/50/279350050.db2.gz AVMYCQXIVGQXGG-CRAIPNDOSA-N 2 1 335.496 1.602 20 0 EDADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000347890734 279350053 /nfs/dbraw/zinc/35/00/53/279350053.db2.gz AVMYCQXIVGQXGG-CRAIPNDOSA-N 2 1 335.496 1.602 20 0 EDADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000347890734 279350054 /nfs/dbraw/zinc/35/00/54/279350054.db2.gz AVMYCQXIVGQXGG-CRAIPNDOSA-N 2 1 335.496 1.602 20 0 EDADMP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000174735784 279361824 /nfs/dbraw/zinc/36/18/24/279361824.db2.gz LJOPAIOVDBIDHX-CVEARBPZSA-N 2 1 339.528 1.042 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000174735784 279361825 /nfs/dbraw/zinc/36/18/25/279361825.db2.gz LJOPAIOVDBIDHX-CVEARBPZSA-N 2 1 339.528 1.042 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000174735784 279361826 /nfs/dbraw/zinc/36/18/26/279361826.db2.gz LJOPAIOVDBIDHX-CVEARBPZSA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC([NH+](C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248214655 280141837 /nfs/dbraw/zinc/14/18/37/280141837.db2.gz FSQBMYYFSWTETL-HLLBOEOZSA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC([NH+](C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248214655 280141838 /nfs/dbraw/zinc/14/18/38/280141838.db2.gz FSQBMYYFSWTETL-HLLBOEOZSA-N 2 1 325.497 1.673 20 0 EDADMP O=C1O[C@]2(CN1C[N@H+]1CCC[C@@H]1C1CCOCC1)C[NH+]1CCC2CC1 ZINC000495860429 280312801 /nfs/dbraw/zinc/31/28/01/280312801.db2.gz ZTAVJVIZDYGXPL-MJGOQNOKSA-N 2 1 349.475 1.752 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCS[C@@H]1C ZINC000645915858 452896092 /nfs/dbraw/zinc/89/60/92/452896092.db2.gz HHVUFHIEWMEVHF-OAGGEKHMSA-N 2 1 342.553 1.938 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000292049109 289248516 /nfs/dbraw/zinc/24/85/16/289248516.db2.gz IXRRYLVNCAOKSW-AEFFLSMTSA-N 2 1 333.476 1.911 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000292049109 289248517 /nfs/dbraw/zinc/24/85/17/289248517.db2.gz IXRRYLVNCAOKSW-AEFFLSMTSA-N 2 1 333.476 1.911 20 0 EDADMP C[C@H](C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)[NH+]1CCSCC1 ZINC000344586226 289291795 /nfs/dbraw/zinc/29/17/95/289291795.db2.gz BBWYLOAUIBQAOU-KLHDSHLOSA-N 2 1 341.521 1.134 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[NH2+]CC34CCCCC4)cn2)CC1 ZINC000347112822 290058971 /nfs/dbraw/zinc/05/89/71/290058971.db2.gz RWQYDGMLAOISQH-UHFFFAOYSA-N 2 1 344.507 1.337 20 0 EDADMP [NH3+]C1(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C2CC3CC(C2)CC1C3 ZINC000333836346 295207536 /nfs/dbraw/zinc/20/75/36/295207536.db2.gz UILLVHFKLFVKTA-ZQVUSRCWSA-N 2 1 346.519 1.924 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448465866 447321816 /nfs/dbraw/zinc/32/18/16/447321816.db2.gz KDUPSJQVDGBYJI-KRWDZBQOSA-N 2 1 342.528 1.574 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cn2cc[nH+]c12 ZINC000294138603 303068153 /nfs/dbraw/zinc/06/81/53/303068153.db2.gz QFMWCXIMFOUNJJ-ZFWWWQNUSA-N 2 1 343.431 1.570 20 0 EDADMP CSc1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000294422198 303104876 /nfs/dbraw/zinc/10/48/76/303104876.db2.gz NJODKKPUUMKQLT-CVEARBPZSA-N 2 1 337.489 1.458 20 0 EDADMP CSc1ccc([C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000294422198 303104877 /nfs/dbraw/zinc/10/48/77/303104877.db2.gz NJODKKPUUMKQLT-CVEARBPZSA-N 2 1 337.489 1.458 20 0 EDADMP COCCOC[C@@H](O)C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000294993623 303160392 /nfs/dbraw/zinc/16/03/92/303160392.db2.gz QZCSTSCCIOPGLK-IBGZPJMESA-N 2 1 336.476 1.607 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc(F)ncc2F)cc1 ZINC000295405874 303215055 /nfs/dbraw/zinc/21/50/55/303215055.db2.gz MNUZWAJKQGOKNN-UHFFFAOYSA-N 2 1 348.397 1.941 20 0 EDADMP COc1nccnc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000295480137 303224667 /nfs/dbraw/zinc/22/46/67/303224667.db2.gz SBNYMQZDRWIUTK-UHFFFAOYSA-N 2 1 328.420 1.651 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC000448521341 447327418 /nfs/dbraw/zinc/32/74/18/447327418.db2.gz OCVOHDCGPJRZFO-VYDXJSESSA-N 2 1 342.553 1.795 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000297115285 303361095 /nfs/dbraw/zinc/36/10/95/303361095.db2.gz YJEZCPRWPHEDPB-VQIMIIECSA-N 2 1 345.487 1.327 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000297293787 303382303 /nfs/dbraw/zinc/38/23/03/303382303.db2.gz ACSZMYHMDWVIAJ-UHFFFAOYSA-N 3 1 331.508 1.666 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000414878503 447340221 /nfs/dbraw/zinc/34/02/21/447340221.db2.gz NXKPJVMLSDQBNA-UHFFFAOYSA-N 2 1 346.475 1.725 20 0 EDADMP C[C@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000428943098 305020737 /nfs/dbraw/zinc/02/07/37/305020737.db2.gz DJRXNPCMQPOAOD-PKOBYXMFSA-N 2 1 344.503 1.309 20 0 EDADMP Cc1cccc2nc(C[N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cn21 ZINC000430608069 305058563 /nfs/dbraw/zinc/05/85/63/305058563.db2.gz CCLHQNFNMADKEF-MRXNPFEDSA-N 2 1 341.459 1.287 20 0 EDADMP C[N@H+](CCSc1ccc(Cl)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430623821 305059846 /nfs/dbraw/zinc/05/98/46/305059846.db2.gz NGQDLWIRCBVJOX-UHFFFAOYSA-N 2 1 327.881 1.796 20 0 EDADMP C[N@@H+](CCSc1ccc(Cl)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430623821 305059847 /nfs/dbraw/zinc/05/98/47/305059847.db2.gz NGQDLWIRCBVJOX-UHFFFAOYSA-N 2 1 327.881 1.796 20 0 EDADMP COc1ccc(OCC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430624157 305059897 /nfs/dbraw/zinc/05/98/97/305059897.db2.gz IJDZSWRBHJENTA-INIZCTEOSA-N 2 1 347.459 1.218 20 0 EDADMP [NH3+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430935418 305069200 /nfs/dbraw/zinc/06/92/00/305069200.db2.gz SUXPTBCYDXPLGV-AWEZNQCLSA-N 2 1 330.432 1.423 20 0 EDADMP CCCN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000430950520 305070145 /nfs/dbraw/zinc/07/01/45/305070145.db2.gz ICIMAOSEKDTDHT-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430965391 305071392 /nfs/dbraw/zinc/07/13/92/305071392.db2.gz JAZPEQGSMQCIOU-UONOGXRCSA-N 2 1 339.867 1.846 20 0 EDADMP C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430965391 305071393 /nfs/dbraw/zinc/07/13/93/305071393.db2.gz JAZPEQGSMQCIOU-UONOGXRCSA-N 2 1 339.867 1.846 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)CC1 ZINC000433071999 305099713 /nfs/dbraw/zinc/09/97/13/305099713.db2.gz MMEJLQJVISPBKK-KRWDZBQOSA-N 2 1 345.553 1.159 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000433341309 305106150 /nfs/dbraw/zinc/10/61/50/305106150.db2.gz RVBBOKMBUPVZJE-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000433341309 305106151 /nfs/dbraw/zinc/10/61/51/305106151.db2.gz RVBBOKMBUPVZJE-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000433341309 305106152 /nfs/dbraw/zinc/10/61/52/305106152.db2.gz RVBBOKMBUPVZJE-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000433401358 305108032 /nfs/dbraw/zinc/10/80/32/305108032.db2.gz XRJGMVWAWIXXRB-BBWFWOEESA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[NH+]1C[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000433401358 305108033 /nfs/dbraw/zinc/10/80/33/305108033.db2.gz XRJGMVWAWIXXRB-BBWFWOEESA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[NH+]1C[C@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000433401358 305108034 /nfs/dbraw/zinc/10/80/34/305108034.db2.gz XRJGMVWAWIXXRB-BBWFWOEESA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)CCCCCO)CC1 ZINC000434681950 305127294 /nfs/dbraw/zinc/12/72/94/305127294.db2.gz UDDQHLMXJQFYJE-SFHVURJKSA-N 2 1 347.503 1.986 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)CCCCCO)CC1 ZINC000434681950 305127295 /nfs/dbraw/zinc/12/72/95/305127295.db2.gz UDDQHLMXJQFYJE-SFHVURJKSA-N 2 1 347.503 1.986 20 0 EDADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000434693656 305127769 /nfs/dbraw/zinc/12/77/69/305127769.db2.gz OBHCUOXDCULIET-GUYCJALGSA-N 2 1 328.420 1.777 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000435373059 305139249 /nfs/dbraw/zinc/13/92/49/305139249.db2.gz LRQLMARQKBFYBN-CVEARBPZSA-N 2 1 331.460 1.857 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000435382429 305139435 /nfs/dbraw/zinc/13/94/35/305139435.db2.gz ZUAPYPPYZBZJPS-ZBFHGGJFSA-N 2 1 331.460 1.761 20 0 EDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000435384793 305139578 /nfs/dbraw/zinc/13/95/78/305139578.db2.gz NWIKBSDCYWOKKK-MRXNPFEDSA-N 2 1 331.460 1.729 20 0 EDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000435384793 305139579 /nfs/dbraw/zinc/13/95/79/305139579.db2.gz NWIKBSDCYWOKKK-MRXNPFEDSA-N 2 1 331.460 1.729 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC[C@H]3CCOC3)CC2)C1 ZINC000438107984 305181402 /nfs/dbraw/zinc/18/14/02/305181402.db2.gz DXTLABCEILSXRK-ROUUACIJSA-N 2 1 325.497 1.140 20 0 EDADMP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065416 305234466 /nfs/dbraw/zinc/23/44/66/305234466.db2.gz ZTGYGAXGMIEVSB-OAHLLOKOSA-N 2 1 337.439 1.724 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000447054167 305273183 /nfs/dbraw/zinc/27/31/83/305273183.db2.gz KZOLDPHKTGGVHP-UHFFFAOYSA-N 2 1 338.496 1.225 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000449317546 305311220 /nfs/dbraw/zinc/31/12/20/305311220.db2.gz SMLBFZWBWVLUMT-UYAOXDASSA-N 2 1 345.487 1.391 20 0 EDADMP C[C@H]1C[C@@H](C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)CC[N@H+]1C ZINC000450130541 305325624 /nfs/dbraw/zinc/32/56/24/305325624.db2.gz CWVCGBFHUULBBF-YQQAZPJKSA-N 2 1 349.475 1.657 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000452385959 305396362 /nfs/dbraw/zinc/39/63/62/305396362.db2.gz VVMAUJOBHITROQ-DLBZAZTESA-N 2 1 337.508 1.604 20 0 EDADMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000452385959 305396363 /nfs/dbraw/zinc/39/63/63/305396363.db2.gz VVMAUJOBHITROQ-DLBZAZTESA-N 2 1 337.508 1.604 20 0 EDADMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000452385959 305396364 /nfs/dbraw/zinc/39/63/64/305396364.db2.gz VVMAUJOBHITROQ-DLBZAZTESA-N 2 1 337.508 1.604 20 0 EDADMP CC(C)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1(CO)CCCC1 ZINC000459521145 305520646 /nfs/dbraw/zinc/52/06/46/305520646.db2.gz DCWMOGWZYKCXKD-KRWDZBQOSA-N 2 1 325.497 1.317 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000414913661 447354726 /nfs/dbraw/zinc/35/47/26/447354726.db2.gz WLORUQKDPIUHKY-HUUCEWRRSA-N 2 1 346.475 1.835 20 0 EDADMP O=C([C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOCC1 ZINC000518165815 305759367 /nfs/dbraw/zinc/75/93/67/305759367.db2.gz OBGLQLPHBZUWLB-ZZJWQFMZSA-N 2 1 343.471 1.329 20 0 EDADMP C[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000458438207 447366945 /nfs/dbraw/zinc/36/69/45/447366945.db2.gz LOZGFACUAJDIRI-MRXNPFEDSA-N 2 1 341.544 1.290 20 0 EDADMP C[C@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000541896824 306049296 /nfs/dbraw/zinc/04/92/96/306049296.db2.gz HWANZTRJWSHBIW-JXFKEZNVSA-N 2 1 343.471 1.390 20 0 EDADMP C[C@H](NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000541896824 306049297 /nfs/dbraw/zinc/04/92/97/306049297.db2.gz HWANZTRJWSHBIW-JXFKEZNVSA-N 2 1 343.471 1.390 20 0 EDADMP C[C@H](NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000541896824 306049298 /nfs/dbraw/zinc/04/92/98/306049298.db2.gz HWANZTRJWSHBIW-JXFKEZNVSA-N 2 1 343.471 1.390 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000553164495 306183399 /nfs/dbraw/zinc/18/33/99/306183399.db2.gz SRZTYIWMVOWYFK-KRWDZBQOSA-N 2 1 337.508 1.727 20 0 EDADMP C[NH2+]CCN(C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000557167177 306225294 /nfs/dbraw/zinc/22/52/94/306225294.db2.gz KPUZCAWSJRMUEW-RDJZCZTQSA-N 2 1 334.464 1.137 20 0 EDADMP C[NH2+]CCN(C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000557167177 306225295 /nfs/dbraw/zinc/22/52/95/306225295.db2.gz KPUZCAWSJRMUEW-RDJZCZTQSA-N 2 1 334.464 1.137 20 0 EDADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)c(Cl)c1 ZINC000414978640 447381525 /nfs/dbraw/zinc/38/15/25/447381525.db2.gz SCDILBYFGTUHMO-KGLIPLIRSA-N 2 1 338.883 1.859 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000449708152 447388324 /nfs/dbraw/zinc/38/83/24/447388324.db2.gz UEWZWBUHTKAKRA-QZTJIDSGSA-N 2 1 345.487 1.782 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000449708152 447388330 /nfs/dbraw/zinc/38/83/30/447388330.db2.gz UEWZWBUHTKAKRA-QZTJIDSGSA-N 2 1 345.487 1.782 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N1CC[N@H+](CCO)C[C@@H]1C)C(C)C ZINC000458499803 447389474 /nfs/dbraw/zinc/38/94/74/447389474.db2.gz KOMHNDBQORKFGF-INIZCTEOSA-N 2 1 328.501 1.203 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)C(C)C ZINC000458499803 447389479 /nfs/dbraw/zinc/38/94/79/447389479.db2.gz KOMHNDBQORKFGF-INIZCTEOSA-N 2 1 328.501 1.203 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000665356449 453664519 /nfs/dbraw/zinc/66/45/19/453664519.db2.gz PLTRYSUUSVXABK-GJZGRUSLSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000665356449 453664522 /nfs/dbraw/zinc/66/45/22/453664522.db2.gz PLTRYSUUSVXABK-GJZGRUSLSA-N 2 1 326.485 1.005 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)C[C@H]2CCC[NH+]2C)CCCO1 ZINC000422207837 447403775 /nfs/dbraw/zinc/40/37/75/447403775.db2.gz QPYCHPCKYDHDFM-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)CCCO1 ZINC000422207837 447403779 /nfs/dbraw/zinc/40/37/79/447403779.db2.gz QPYCHPCKYDHDFM-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CCC[N@H+]2C)CCCO1 ZINC000422207837 447403781 /nfs/dbraw/zinc/40/37/81/447403781.db2.gz QPYCHPCKYDHDFM-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000458568447 447415330 /nfs/dbraw/zinc/41/53/30/447415330.db2.gz JKRNDLNFELHUKN-OFLPRAFFSA-N 2 1 340.512 1.253 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000422248336 447422310 /nfs/dbraw/zinc/42/23/10/447422310.db2.gz ZRPPPHDMWHQUSY-QQFBHYJXSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000422248336 447422315 /nfs/dbraw/zinc/42/23/15/447422315.db2.gz ZRPPPHDMWHQUSY-QQFBHYJXSA-N 2 1 326.485 1.221 20 0 EDADMP CCCC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000046773377 441122957 /nfs/dbraw/zinc/12/29/57/441122957.db2.gz FSKYPYIEJXDZDU-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP CCCC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000046773377 441122960 /nfs/dbraw/zinc/12/29/60/441122960.db2.gz FSKYPYIEJXDZDU-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP CCCC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000046773377 441122962 /nfs/dbraw/zinc/12/29/62/441122962.db2.gz FSKYPYIEJXDZDU-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP CCNC(=O)NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843814 441138053 /nfs/dbraw/zinc/13/80/53/441138053.db2.gz YTNJQPAPEFULTH-UHFFFAOYSA-N 2 1 346.475 1.676 20 0 EDADMP C[C@H](CNC(=O)NCc1ccccc1OCC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000105205385 441242400 /nfs/dbraw/zinc/24/24/00/441242400.db2.gz WMCWRCRFLLYTAF-OAHLLOKOSA-N 2 1 348.491 1.909 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000105149666 441238561 /nfs/dbraw/zinc/23/85/61/441238561.db2.gz ZQAMKTSNQXKOPT-MRXNPFEDSA-N 2 1 342.487 1.923 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000105149666 441238564 /nfs/dbraw/zinc/23/85/64/441238564.db2.gz ZQAMKTSNQXKOPT-MRXNPFEDSA-N 2 1 342.487 1.923 20 0 EDADMP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000073074747 441291055 /nfs/dbraw/zinc/29/10/55/441291055.db2.gz XSQRDXJZKTZKBB-QGZVFWFLSA-N 2 1 342.487 1.552 20 0 EDADMP CC[NH+](CC)CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000063445214 441329095 /nfs/dbraw/zinc/32/90/95/441329095.db2.gz YKXMZCOEMKOZLR-UHFFFAOYSA-N 2 1 332.492 1.262 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000062503869 441303512 /nfs/dbraw/zinc/30/35/12/441303512.db2.gz XNWYISPFESEKAX-HNNXBMFYSA-N 2 1 338.521 1.958 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000074846666 441471395 /nfs/dbraw/zinc/47/13/95/441471395.db2.gz PEVABOYYEIOVAV-MRXNPFEDSA-N 2 1 334.508 1.987 20 0 EDADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000075021860 441487838 /nfs/dbraw/zinc/48/78/38/441487838.db2.gz FNDRLKMTVQPLJE-GVDBMIGSSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@@H]1C[C@H](C)C[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000075021860 441487841 /nfs/dbraw/zinc/48/78/41/441487841.db2.gz FNDRLKMTVQPLJE-GVDBMIGSSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@@H]1C[C@H](C)C[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000075021860 441487844 /nfs/dbraw/zinc/48/78/44/441487844.db2.gz FNDRLKMTVQPLJE-GVDBMIGSSA-N 2 1 325.497 1.580 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000052591678 441463306 /nfs/dbraw/zinc/46/33/06/441463306.db2.gz YJENYJGRBSVVBQ-GOSISDBHSA-N 2 1 330.476 1.916 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000052591678 441463310 /nfs/dbraw/zinc/46/33/10/441463310.db2.gz YJENYJGRBSVVBQ-GOSISDBHSA-N 2 1 330.476 1.916 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108567665 441464443 /nfs/dbraw/zinc/46/44/43/441464443.db2.gz YUUILNDQDCJYFZ-MRXNPFEDSA-N 2 1 348.491 1.768 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111838691 441542087 /nfs/dbraw/zinc/54/20/87/441542087.db2.gz BXPALNLFGPUWED-JKSUJKDBSA-N 2 1 340.512 1.110 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[NH+](C)CC3)c(C)c2)CC1 ZINC000053919627 441548050 /nfs/dbraw/zinc/54/80/50/441548050.db2.gz UJLKHWSDFKWGSS-UHFFFAOYSA-N 2 1 345.491 1.916 20 0 EDADMP C[C@H]1C[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1C ZINC000076113005 441598923 /nfs/dbraw/zinc/59/89/23/441598923.db2.gz LDBCUULOUKISKX-IRXDYDNUSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090121582 441621974 /nfs/dbraw/zinc/62/19/74/441621974.db2.gz NDWWKJQZEAQCSF-RTBURBONSA-N 2 1 344.503 1.694 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090121582 441621981 /nfs/dbraw/zinc/62/19/81/441621981.db2.gz NDWWKJQZEAQCSF-RTBURBONSA-N 3 1 344.503 1.694 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090121582 441621986 /nfs/dbraw/zinc/62/19/86/441621986.db2.gz NDWWKJQZEAQCSF-RTBURBONSA-N 3 1 344.503 1.694 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)C2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000076310081 441627566 /nfs/dbraw/zinc/62/75/66/441627566.db2.gz IZTYWHCITDUUKZ-INIZCTEOSA-N 2 1 329.488 1.934 20 0 EDADMP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c(C)s1 ZINC000090580182 441635940 /nfs/dbraw/zinc/63/59/40/441635940.db2.gz DVTLLMKBVZZJHI-FZMZJTMJSA-N 2 1 345.534 1.573 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCCc3cn4c(n3)CCCC4)CC[C@@H]21 ZINC000136966185 441735139 /nfs/dbraw/zinc/73/51/39/441735139.db2.gz YYFJWRFPANRSQO-WBVHZDCISA-N 2 1 345.491 1.888 20 0 EDADMP CN1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CC1=O ZINC000092385832 441795577 /nfs/dbraw/zinc/79/55/77/441795577.db2.gz GYXVHYDHLFPKKX-ZDUSSCGKSA-N 2 1 336.867 1.412 20 0 EDADMP C[C@@H]1C[N@@H+](C2CCN(C(=O)C[NH+](C)Cc3ccccc3)CC2)CCO1 ZINC000068429824 441796777 /nfs/dbraw/zinc/79/67/77/441796777.db2.gz UYAGIPFEQWCUIP-QGZVFWFLSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C[NH+](C)Cc3ccccc3)CC2)CCO1 ZINC000068429824 441796782 /nfs/dbraw/zinc/79/67/82/441796782.db2.gz UYAGIPFEQWCUIP-QGZVFWFLSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)C[N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000068429824 441796789 /nfs/dbraw/zinc/79/67/89/441796789.db2.gz UYAGIPFEQWCUIP-QGZVFWFLSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000068429824 441796796 /nfs/dbraw/zinc/79/67/96/441796796.db2.gz UYAGIPFEQWCUIP-QGZVFWFLSA-N 2 1 345.487 1.830 20 0 EDADMP COCCCNC(=O)[C@@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173976707 441872304 /nfs/dbraw/zinc/87/23/04/441872304.db2.gz XIGWIJNXSWDQGV-MJGOQNOKSA-N 2 1 347.503 1.982 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(CC(=O)Nc3ccccc3C(N)=O)CC[C@@H]21 ZINC000139856789 441827162 /nfs/dbraw/zinc/82/71/62/441827162.db2.gz SJNUDQWHQNFHKW-BBRMVZONSA-N 2 1 330.432 1.140 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C(C)C)C1 ZINC000140476007 441838489 /nfs/dbraw/zinc/83/84/89/441838489.db2.gz QUFQBLAUDFPORX-DLBZAZTESA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@H](NC(=O)Cn1ccnc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123868391 441902280 /nfs/dbraw/zinc/90/22/80/441902280.db2.gz OCMHZXVMWWTSNU-ROUUACIJSA-N 2 1 342.443 1.679 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000174280733 441910716 /nfs/dbraw/zinc/91/07/16/441910716.db2.gz RJDMLJLICJLUAA-IRXDYDNUSA-N 2 1 338.496 1.082 20 0 EDADMP C[C@H](CCNC(=O)[C@H](C)N1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000174417001 441922503 /nfs/dbraw/zinc/92/25/03/441922503.db2.gz FFVLAJMVGQPBKL-MSOLQXFVSA-N 2 1 346.519 1.649 20 0 EDADMP C[C@H](CCNC(=O)[C@H](C)N1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000174417001 441922508 /nfs/dbraw/zinc/92/25/08/441922508.db2.gz FFVLAJMVGQPBKL-MSOLQXFVSA-N 2 1 346.519 1.649 20 0 EDADMP C[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000174851888 441975183 /nfs/dbraw/zinc/97/51/83/441975183.db2.gz XTPBMHBJYJKBSH-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP C[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000174851888 441975194 /nfs/dbraw/zinc/97/51/94/441975194.db2.gz XTPBMHBJYJKBSH-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)C1)Cc1ccc(F)cc1 ZINC000175748259 442115705 /nfs/dbraw/zinc/11/57/05/442115705.db2.gz DVOVSZFAAXHXPO-MRXNPFEDSA-N 2 1 336.455 1.899 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@H+](C)C1)Cc1ccc(F)cc1 ZINC000175748259 442115708 /nfs/dbraw/zinc/11/57/08/442115708.db2.gz DVOVSZFAAXHXPO-MRXNPFEDSA-N 2 1 336.455 1.899 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](C)C1)Cc1ccc(F)cc1 ZINC000175748259 442115712 /nfs/dbraw/zinc/11/57/12/442115712.db2.gz DVOVSZFAAXHXPO-MRXNPFEDSA-N 2 1 336.455 1.899 20 0 EDADMP COc1cc(CN(C)CC(=O)N2CC[NH+](C)CC2)ccc1SC ZINC000120875795 442145490 /nfs/dbraw/zinc/14/54/90/442145490.db2.gz VIYPYUTWWYRCKZ-UHFFFAOYSA-N 2 1 337.489 1.623 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000121130552 442180984 /nfs/dbraw/zinc/18/09/84/442180984.db2.gz CLOZHMKBRJKKSA-HZPDHXFCSA-N 2 1 347.463 1.070 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)cn2)CC1 ZINC000121245804 442195774 /nfs/dbraw/zinc/19/57/74/442195774.db2.gz JAXWDZUOUVGTPD-INIZCTEOSA-N 2 1 341.463 1.331 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](c4cc[nH]n4)C3)cn2)CC1 ZINC000121245804 442195776 /nfs/dbraw/zinc/19/57/76/442195776.db2.gz JAXWDZUOUVGTPD-INIZCTEOSA-N 2 1 341.463 1.331 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)oc1C ZINC000168625414 442224844 /nfs/dbraw/zinc/22/48/44/442224844.db2.gz HCYHAEIGLIXDFK-HZPDHXFCSA-N 2 1 334.464 1.747 20 0 EDADMP CC[N@H+](CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1)C1CC1 ZINC000171140725 442319137 /nfs/dbraw/zinc/31/91/37/442319137.db2.gz QZCTZMVPSQNWQE-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP CC[N@@H+](CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1)C1CC1 ZINC000171140725 442319138 /nfs/dbraw/zinc/31/91/38/442319138.db2.gz QZCTZMVPSQNWQE-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129544198 442321579 /nfs/dbraw/zinc/32/15/79/442321579.db2.gz UACHAGYRBRQWCD-WNRNVDISSA-N 2 1 337.508 1.534 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000130524310 442348812 /nfs/dbraw/zinc/34/88/12/442348812.db2.gz JDVZTFYWLWQGDF-AWEZNQCLSA-N 2 1 330.432 1.012 20 0 EDADMP C[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCSCC1 ZINC000131179862 442366385 /nfs/dbraw/zinc/36/63/85/442366385.db2.gz HUSBXOLKRFSEDD-OWCLPIDISA-N 2 1 327.538 1.908 20 0 EDADMP C[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCSCC1 ZINC000131179862 442366388 /nfs/dbraw/zinc/36/63/88/442366388.db2.gz HUSBXOLKRFSEDD-OWCLPIDISA-N 2 1 327.538 1.908 20 0 EDADMP C[C@H]1CCC[C@@](CNC(=O)NCCC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000131538445 442374378 /nfs/dbraw/zinc/37/43/78/442374378.db2.gz GSRBLELGXAHHAT-FUHWJXTLSA-N 2 1 340.512 1.518 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000177865103 442391904 /nfs/dbraw/zinc/39/19/04/442391904.db2.gz HOJLQLSQFCYJQR-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171979860 442395646 /nfs/dbraw/zinc/39/56/46/442395646.db2.gz ZKEOYNGNHYCFQA-UHFFFAOYSA-N 2 1 337.508 1.823 20 0 EDADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)C[NH+]1CCOCC1 ZINC000155525754 442405708 /nfs/dbraw/zinc/40/57/08/442405708.db2.gz WOBSLOQKAZCQAL-INIZCTEOSA-N 2 1 348.491 1.516 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000133397941 442416517 /nfs/dbraw/zinc/41/65/17/442416517.db2.gz CLIWYWFOOZXWFP-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000133397941 442416519 /nfs/dbraw/zinc/41/65/19/442416519.db2.gz CLIWYWFOOZXWFP-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000155755642 442424979 /nfs/dbraw/zinc/42/49/79/442424979.db2.gz ZAPZORFFSDZEFQ-WBVHZDCISA-N 2 1 325.497 1.722 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000178811331 442492623 /nfs/dbraw/zinc/49/26/23/442492623.db2.gz IQHLDDQIIOSFFC-UHFFFAOYSA-N 2 1 333.476 1.392 20 0 EDADMP C[C@H](NC(=O)c1ccc(C[NH3+])cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000178823160 442494976 /nfs/dbraw/zinc/49/49/76/442494976.db2.gz OFVVNSHNRHAINV-HNNXBMFYSA-N 2 1 331.460 1.909 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000178857289 442505200 /nfs/dbraw/zinc/50/52/00/442505200.db2.gz MTZPRSFEHDPUMQ-JZXOWHBKSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000134390975 442477182 /nfs/dbraw/zinc/47/71/82/442477182.db2.gz NRERMDBROFSJQU-IAGOWNOFSA-N 2 1 333.480 1.379 20 0 EDADMP [NH3+]Cc1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000186481770 442542951 /nfs/dbraw/zinc/54/29/51/442542951.db2.gz NCIBRVZVKQUZNR-RTBURBONSA-N 2 1 339.439 1.511 20 0 EDADMP Cc1cnc(CC[N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)s1 ZINC000157648833 442600824 /nfs/dbraw/zinc/60/08/24/442600824.db2.gz GLHDCITYAUGLNW-UHFFFAOYSA-N 2 1 336.505 1.669 20 0 EDADMP Cc1cnc(CC[N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)s1 ZINC000157648833 442600828 /nfs/dbraw/zinc/60/08/28/442600828.db2.gz GLHDCITYAUGLNW-UHFFFAOYSA-N 2 1 336.505 1.669 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000180753632 442655632 /nfs/dbraw/zinc/65/56/32/442655632.db2.gz VASUGZAITJYPIE-JKSUJKDBSA-N 2 1 340.512 1.203 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000136250184 442657115 /nfs/dbraw/zinc/65/71/15/442657115.db2.gz WFKDVWWKAPDFNN-UHFFFAOYSA-N 2 1 333.480 1.954 20 0 EDADMP CC(C)[NH+]1CCN(CCCN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000192838751 442691597 /nfs/dbraw/zinc/69/15/97/442691597.db2.gz TUYRILBSHJRTDS-GOSISDBHSA-N 2 1 340.556 1.180 20 0 EDADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1C[NH2+]CCO1 ZINC000188070161 442707446 /nfs/dbraw/zinc/70/74/46/442707446.db2.gz DXEBXVPWZGLTKL-HZPDHXFCSA-N 2 1 337.851 1.582 20 0 EDADMP C[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000192559064 442662420 /nfs/dbraw/zinc/66/24/20/442662420.db2.gz MZNPCLWTNKEZJS-SNRMKQJTSA-N 2 1 345.487 1.899 20 0 EDADMP C[C@H](CCNC(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000181810112 442717721 /nfs/dbraw/zinc/71/77/21/442717721.db2.gz UFMUIQSKILGAIU-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP CC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCCO1 ZINC000182228503 442748191 /nfs/dbraw/zinc/74/81/91/442748191.db2.gz LSEUQNCYGGQVTN-IXDOHACOSA-N 2 1 341.496 1.007 20 0 EDADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCOCC1 ZINC000188445814 442750930 /nfs/dbraw/zinc/75/09/30/442750930.db2.gz VMOKVEKILCFDHD-VQTJNVASSA-N 2 1 348.487 1.784 20 0 EDADMP CC[N@@H+]1CCc2nc(NC(=O)c3n[nH]c4c3C[NH2+]CC4)sc2C1 ZINC000188689415 442788478 /nfs/dbraw/zinc/78/84/78/442788478.db2.gz VLSQOUZFZZJYRB-UHFFFAOYSA-N 2 1 332.433 1.142 20 0 EDADMP CC[N@H+]1CCc2nc(NC(=O)c3n[nH]c4c3C[NH2+]CC4)sc2C1 ZINC000188689415 442788481 /nfs/dbraw/zinc/78/84/81/442788481.db2.gz VLSQOUZFZZJYRB-UHFFFAOYSA-N 2 1 332.433 1.142 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188742485 442801672 /nfs/dbraw/zinc/80/16/72/442801672.db2.gz WXSOVJWEHTWPPK-VNHYZAJKSA-N 2 1 325.453 1.776 20 0 EDADMP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000182683673 442806452 /nfs/dbraw/zinc/80/64/52/442806452.db2.gz GYLNOQQXVXFBDC-AWEZNQCLSA-N 2 1 328.478 1.540 20 0 EDADMP CCn1nccc1N1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000188570528 442764431 /nfs/dbraw/zinc/76/44/31/442764431.db2.gz UQPVQBVTFIWFBE-BZUAXINKSA-N 2 1 331.464 1.615 20 0 EDADMP CCn1nccc1N1CCC[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000188570528 442764432 /nfs/dbraw/zinc/76/44/32/442764432.db2.gz UQPVQBVTFIWFBE-BZUAXINKSA-N 2 1 331.464 1.615 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000194134501 442849802 /nfs/dbraw/zinc/84/98/02/442849802.db2.gz MHAXDGRRCRGDKV-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000194134501 442849805 /nfs/dbraw/zinc/84/98/05/442849805.db2.gz MHAXDGRRCRGDKV-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000194134501 442849807 /nfs/dbraw/zinc/84/98/07/442849807.db2.gz MHAXDGRRCRGDKV-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)NCCCNc2ccc(C)c[nH+]2)C1 ZINC000265660118 442868258 /nfs/dbraw/zinc/86/82/58/442868258.db2.gz ZMYWSBNAHNNIAU-OAHLLOKOSA-N 2 1 335.452 1.212 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCCNc2ccc(C)c[nH+]2)C1 ZINC000265660118 442868262 /nfs/dbraw/zinc/86/82/62/442868262.db2.gz ZMYWSBNAHNNIAU-OAHLLOKOSA-N 2 1 335.452 1.212 20 0 EDADMP Cc1cc(N2CCC([NH2+][C@H](C)CS(C)(=O)=O)CC2)nc(C)[nH+]1 ZINC000183082313 442876193 /nfs/dbraw/zinc/87/61/93/442876193.db2.gz JKVOGBWEAGPICY-GFCCVEGCSA-N 2 1 326.466 1.085 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)/C=C/C[NH+](C)C)cc2)CC1 ZINC000265637438 442855501 /nfs/dbraw/zinc/85/55/01/442855501.db2.gz LEACMPKEDKDJDR-SNAWJCMRSA-N 2 1 330.476 1.168 20 0 EDADMP COC[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000265755573 442908622 /nfs/dbraw/zinc/90/86/22/442908622.db2.gz GCCGJLUBMOQPIR-SFHVURJKSA-N 2 1 345.487 1.608 20 0 EDADMP COC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000265755573 442908627 /nfs/dbraw/zinc/90/86/27/442908627.db2.gz GCCGJLUBMOQPIR-SFHVURJKSA-N 2 1 345.487 1.608 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000189634646 442988125 /nfs/dbraw/zinc/98/81/25/442988125.db2.gz HKHUMAGGMIJYKM-HNNXBMFYSA-N 2 1 340.493 1.508 20 0 EDADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)CC[C@@H]1C ZINC000251994299 443021241 /nfs/dbraw/zinc/02/12/41/443021241.db2.gz WEGQKTXTSMUSSZ-YESZJQIVSA-N 2 1 346.475 1.476 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@](C)(O)c3ccsc3)cn2)CC1 ZINC000268541406 443027654 /nfs/dbraw/zinc/02/76/54/443027654.db2.gz KUBVZHJLSVPXHZ-KRWDZBQOSA-N 2 1 347.488 1.287 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000249762419 443003693 /nfs/dbraw/zinc/00/36/93/443003693.db2.gz MHAXDGRRCRGDKV-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000249762419 443003698 /nfs/dbraw/zinc/00/36/98/443003698.db2.gz MHAXDGRRCRGDKV-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000249762419 443003703 /nfs/dbraw/zinc/00/37/03/443003703.db2.gz MHAXDGRRCRGDKV-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP COC(=O)[C@@H](C)C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000184719484 443066133 /nfs/dbraw/zinc/06/61/33/443066133.db2.gz AXDMYVPKQCWLGJ-AWEZNQCLSA-N 2 1 347.463 1.002 20 0 EDADMP COC(=O)[C@@H](C)C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000184719484 443066136 /nfs/dbraw/zinc/06/61/36/443066136.db2.gz AXDMYVPKQCWLGJ-AWEZNQCLSA-N 2 1 347.463 1.002 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1[NH+](C)C ZINC000266234916 443068417 /nfs/dbraw/zinc/06/84/17/443068417.db2.gz UFIOUWVJPHUQBS-QRQLOZEOSA-N 2 1 345.487 1.686 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1[NH+](C)C ZINC000266234916 443068418 /nfs/dbraw/zinc/06/84/18/443068418.db2.gz UFIOUWVJPHUQBS-QRQLOZEOSA-N 2 1 345.487 1.686 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000268874482 443133327 /nfs/dbraw/zinc/13/33/27/443133327.db2.gz WCZDEJZXNOVARR-XJKSGUPXSA-N 2 1 341.477 1.165 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000268793263 443109479 /nfs/dbraw/zinc/10/94/79/443109479.db2.gz FDCKBHRFYCMDST-AEFFLSMTSA-N 2 1 345.487 1.769 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000268865583 443130199 /nfs/dbraw/zinc/13/01/99/443130199.db2.gz TWVOVGXMFNWICV-WMLDXEAASA-N 2 1 333.432 1.751 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@H]1C ZINC000185573655 443221633 /nfs/dbraw/zinc/22/16/33/443221633.db2.gz HTWCDGXIDXFJOB-HUUCEWRRSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000266765177 443233598 /nfs/dbraw/zinc/23/35/98/443233598.db2.gz DUQIUQAWAUHDMS-OAHLLOKOSA-N 2 1 344.503 1.868 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000262641473 443205219 /nfs/dbraw/zinc/20/52/19/443205219.db2.gz KUKJCCRJPVYDCJ-QZTJIDSGSA-N 2 1 346.519 1.855 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000262641473 443205222 /nfs/dbraw/zinc/20/52/22/443205222.db2.gz KUKJCCRJPVYDCJ-QZTJIDSGSA-N 2 1 346.519 1.855 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000262641473 443205226 /nfs/dbraw/zinc/20/52/26/443205226.db2.gz KUKJCCRJPVYDCJ-QZTJIDSGSA-N 2 1 346.519 1.855 20 0 EDADMP CCS(=O)(=O)NCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730472 443246050 /nfs/dbraw/zinc/24/60/50/443246050.db2.gz UXTPVKGVUIJAOR-CABCVRRESA-N 2 1 331.526 1.558 20 0 EDADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185759655 443252255 /nfs/dbraw/zinc/25/22/55/443252255.db2.gz MQNRPDMWRKJSKN-RDBSUJKOSA-N 2 1 336.480 1.606 20 0 EDADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185759655 443252258 /nfs/dbraw/zinc/25/22/58/443252258.db2.gz MQNRPDMWRKJSKN-RDBSUJKOSA-N 2 1 336.480 1.606 20 0 EDADMP CCN(C)C(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000264274621 443256937 /nfs/dbraw/zinc/25/69/37/443256937.db2.gz BUSJLEPKQMBTDR-LJQANCHMSA-N 2 1 347.503 1.842 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2)C1 ZINC000269261958 443255755 /nfs/dbraw/zinc/25/57/55/443255755.db2.gz WNTGEHKTXRVIKP-WBVHZDCISA-N 2 1 344.459 1.465 20 0 EDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000414201871 319318984 /nfs/dbraw/zinc/31/89/84/319318984.db2.gz YIBAZZPCTRORMV-KGLIPLIRSA-N 2 1 325.478 1.717 20 0 EDADMP C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414664903 319338414 /nfs/dbraw/zinc/33/84/14/319338414.db2.gz DABRJOORPJLHBU-CQSZACIVSA-N 2 1 341.402 1.917 20 0 EDADMP C[N@@H+](CCOc1ccccc1Cl)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414673141 319339517 /nfs/dbraw/zinc/33/95/17/319339517.db2.gz BVBGMYUHECXYLP-AWEZNQCLSA-N 2 1 339.867 1.848 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000414682603 319341896 /nfs/dbraw/zinc/34/18/96/319341896.db2.gz YQADEWCETJVTIO-RHSMWYFYSA-N 2 1 335.423 1.396 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000414682603 319341898 /nfs/dbraw/zinc/34/18/98/319341898.db2.gz YQADEWCETJVTIO-RHSMWYFYSA-N 2 1 335.423 1.396 20 0 EDADMP C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414687966 319342677 /nfs/dbraw/zinc/34/26/77/319342677.db2.gz CIQYFTJMRLKLNS-JFIYKMOQSA-N 2 1 331.460 1.646 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)c1 ZINC000415936327 319383610 /nfs/dbraw/zinc/38/36/10/319383610.db2.gz UANLSGDXELOESY-RHSMWYFYSA-N 2 1 334.464 1.715 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000266891194 443282190 /nfs/dbraw/zinc/28/21/90/443282190.db2.gz VBMRSJNJDWDVOX-GOSISDBHSA-N 2 1 342.487 1.575 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000185846976 443268834 /nfs/dbraw/zinc/26/88/34/443268834.db2.gz MJLNYEAJCVLTJQ-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000269469725 443316559 /nfs/dbraw/zinc/31/65/59/443316559.db2.gz UKTCZKWLEDLTFU-LJQANCHMSA-N 2 1 342.487 1.111 20 0 EDADMP O=C(CN1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000269469725 443316563 /nfs/dbraw/zinc/31/65/63/443316563.db2.gz UKTCZKWLEDLTFU-LJQANCHMSA-N 2 1 342.487 1.111 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000416923733 319475893 /nfs/dbraw/zinc/47/58/93/319475893.db2.gz QIWHPUHLNQPTND-KBUPBQIOSA-N 2 1 326.485 1.301 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416939146 319479616 /nfs/dbraw/zinc/47/96/16/319479616.db2.gz MJXWJAATUYISBA-YESZJQIVSA-N 2 1 340.512 1.360 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416942854 319481011 /nfs/dbraw/zinc/48/10/11/319481011.db2.gz SLYHFEZMRKOYJQ-BZUAXINKSA-N 2 1 326.485 1.160 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCCO1 ZINC000278584142 443368533 /nfs/dbraw/zinc/36/85/33/443368533.db2.gz QDPARBHLNQPGOT-HKUYNNGSSA-N 2 1 347.503 1.776 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264736602 443397965 /nfs/dbraw/zinc/39/79/65/443397965.db2.gz FVNVLXDHIBLMCP-WMZOPIPTSA-N 2 1 332.492 1.432 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000267267589 443399724 /nfs/dbraw/zinc/39/97/24/443399724.db2.gz DSRSKKGKYQCKMN-UHFFFAOYSA-N 2 1 343.431 1.316 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000267503157 443479198 /nfs/dbraw/zinc/47/91/98/443479198.db2.gz JOSDFHWLTJBZOS-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000267503157 443479200 /nfs/dbraw/zinc/47/92/00/443479200.db2.gz JOSDFHWLTJBZOS-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[N@@H+](CCNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1)C1CC1 ZINC000272789123 443446325 /nfs/dbraw/zinc/44/63/25/443446325.db2.gz PNXSJSDNMCUHGG-SFHVURJKSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+](CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000272789123 443446330 /nfs/dbraw/zinc/44/63/30/443446330.db2.gz PNXSJSDNMCUHGG-SFHVURJKSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+](CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000272789123 443446333 /nfs/dbraw/zinc/44/63/33/443446333.db2.gz PNXSJSDNMCUHGG-SFHVURJKSA-N 2 1 346.475 1.147 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000272270369 443574870 /nfs/dbraw/zinc/57/48/70/443574870.db2.gz NRSJUOYNCHLQAU-UAGQMJEPSA-N 2 1 333.501 1.972 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000273148482 443551344 /nfs/dbraw/zinc/55/13/44/443551344.db2.gz YKHZRTYSVAODAV-SJORKVTESA-N 2 1 333.476 1.591 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@@H]1C ZINC000265280183 443593687 /nfs/dbraw/zinc/59/36/87/443593687.db2.gz JMYBFHWOKODYQT-INIZCTEOSA-N 2 1 349.475 1.420 20 0 EDADMP COCC[N@H+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@@H]1C ZINC000265280183 443593690 /nfs/dbraw/zinc/59/36/90/443593690.db2.gz JMYBFHWOKODYQT-INIZCTEOSA-N 2 1 349.475 1.420 20 0 EDADMP COc1nccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000449018291 320174639 /nfs/dbraw/zinc/17/46/39/320174639.db2.gz JGCTWRHCWLJKFU-GASCZTMLSA-N 2 1 334.464 1.806 20 0 EDADMP COc1nccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000449018291 320174641 /nfs/dbraw/zinc/17/46/41/320174641.db2.gz JGCTWRHCWLJKFU-GASCZTMLSA-N 2 1 334.464 1.806 20 0 EDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000449714829 320201296 /nfs/dbraw/zinc/20/12/96/320201296.db2.gz AESYBEKLECUOPL-MSOLQXFVSA-N 2 1 330.476 1.048 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)[N@@H+]1C ZINC000457469333 320326993 /nfs/dbraw/zinc/32/69/93/320326993.db2.gz CPBVRTHJMPVKKG-JZXOWHBKSA-N 2 1 332.492 1.893 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000457607585 320330908 /nfs/dbraw/zinc/33/09/08/320330908.db2.gz SBPUQTZQYAMCEA-DLBZAZTESA-N 2 1 340.512 1.469 20 0 EDADMP CC1CC[NH+](CCCCNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)CC1 ZINC000457750453 320335018 /nfs/dbraw/zinc/33/50/18/320335018.db2.gz RAZLAXOWLFMMQA-KRWDZBQOSA-N 2 1 340.512 1.207 20 0 EDADMP CC1CC[NH+](CCCCNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000457750453 320335019 /nfs/dbraw/zinc/33/50/19/320335019.db2.gz RAZLAXOWLFMMQA-KRWDZBQOSA-N 2 1 340.512 1.207 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000458121816 320336358 /nfs/dbraw/zinc/33/63/58/320336358.db2.gz BQDCJSYQQJXGEK-QGZVFWFLSA-N 2 1 340.512 1.254 20 0 EDADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000488157979 320357654 /nfs/dbraw/zinc/35/76/54/320357654.db2.gz FXEBUPUGQXVELS-DAYGRLMNSA-N 2 1 334.508 1.985 20 0 EDADMP CC[C@H]1CO[C@@H](C)C[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000298268909 443734840 /nfs/dbraw/zinc/73/48/40/443734840.db2.gz GDYRWTLCXDFBQM-IRXDYDNUSA-N 2 1 346.475 1.620 20 0 EDADMP CN(CCC[N@@H+](C)[C@@H]1CCc2ccccc2NC1=O)CC[NH+](C)C ZINC000298531390 443792742 /nfs/dbraw/zinc/79/27/42/443792742.db2.gz MEFTYGVEEVKAAM-GOSISDBHSA-N 2 1 332.492 1.755 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@H]1C ZINC000276578782 443753435 /nfs/dbraw/zinc/75/34/35/443753435.db2.gz HVEALUCCMCZXSA-OAHLLOKOSA-N 2 1 331.460 1.168 20 0 EDADMP COCC[N@H+]1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@H]1C ZINC000276578782 443753437 /nfs/dbraw/zinc/75/34/37/443753437.db2.gz HVEALUCCMCZXSA-OAHLLOKOSA-N 2 1 331.460 1.168 20 0 EDADMP O=C1[C@@H]([NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCN1CC(F)(F)F ZINC000530241938 320617240 /nfs/dbraw/zinc/61/72/40/320617240.db2.gz RXJFNQMJBKMPOE-KBPBESRZSA-N 2 1 349.397 1.240 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000292953685 443888145 /nfs/dbraw/zinc/88/81/45/443888145.db2.gz ASOLERNXHKZVCF-FQEVSTJZSA-N 2 1 333.520 1.938 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000293013046 443902455 /nfs/dbraw/zinc/90/24/55/443902455.db2.gz HQCUYAJHZYONBD-HNAYVOBHSA-N 2 1 338.467 1.754 20 0 EDADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000288608420 443932677 /nfs/dbraw/zinc/93/26/77/443932677.db2.gz QIYZZYSAXALSAY-UHFFFAOYSA-N 2 1 342.443 1.801 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)CCCO)CC2)cc1 ZINC000281522211 443934661 /nfs/dbraw/zinc/93/46/61/443934661.db2.gz BWXHXLBXQFHKNN-UHFFFAOYSA-N 2 1 333.476 1.344 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CCCO)CC2)cc1 ZINC000281522211 443934666 /nfs/dbraw/zinc/93/46/66/443934666.db2.gz BWXHXLBXQFHKNN-UHFFFAOYSA-N 2 1 333.476 1.344 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)CCCO)CC2)cc1 ZINC000281522211 443934669 /nfs/dbraw/zinc/93/46/69/443934669.db2.gz BWXHXLBXQFHKNN-UHFFFAOYSA-N 2 1 333.476 1.344 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)CCCO)CC2)cc1 ZINC000281522211 443934674 /nfs/dbraw/zinc/93/46/74/443934674.db2.gz BWXHXLBXQFHKNN-UHFFFAOYSA-N 2 1 333.476 1.344 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@H](O)CC1 ZINC000293245234 443961112 /nfs/dbraw/zinc/96/11/12/443961112.db2.gz SZEJQAZCINXMQY-NEWSRXKRSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H](O)CC1 ZINC000293245234 443961116 /nfs/dbraw/zinc/96/11/16/443961116.db2.gz SZEJQAZCINXMQY-NEWSRXKRSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H](O)CC1 ZINC000293245234 443961122 /nfs/dbraw/zinc/96/11/22/443961122.db2.gz SZEJQAZCINXMQY-NEWSRXKRSA-N 2 1 345.487 1.612 20 0 EDADMP c1ccc2c(c1)CC[N@H+](CCNc1cc(N3CCOCC3)ncn1)C2 ZINC000277319585 443963656 /nfs/dbraw/zinc/96/36/56/443963656.db2.gz DHZMWHKIQBYCGH-UHFFFAOYSA-N 2 1 339.443 1.783 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1CN(C)CCN1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000288741221 443969345 /nfs/dbraw/zinc/96/93/45/443969345.db2.gz BMJBXYAVYJWHCR-SZMVWBNQSA-N 2 1 347.507 1.223 20 0 EDADMP CCOCC[C@@H](O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000277525580 444000388 /nfs/dbraw/zinc/00/03/88/444000388.db2.gz OHWUAIVOYOAXQB-HXUWFJFHSA-N 2 1 349.519 1.524 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000561213099 321036293 /nfs/dbraw/zinc/03/62/93/321036293.db2.gz UWZARPWNARUTBS-OAGGEKHMSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000562993528 321086474 /nfs/dbraw/zinc/08/64/74/321086474.db2.gz IMXZPTQUVIWTOS-APWZRJJASA-N 2 1 347.503 1.683 20 0 EDADMP C[N@@H+](C[C@@H](O)CNCc1cccc(NC(=O)[C@@H]2CCCO2)c1)C1CC1 ZINC000564444330 321131957 /nfs/dbraw/zinc/13/19/57/321131957.db2.gz NTKIYYJCFFOLIB-ROUUACIJSA-N 2 1 347.459 1.349 20 0 EDADMP Cc1nc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[nH]c1C ZINC000565237182 321178101 /nfs/dbraw/zinc/17/81/01/321178101.db2.gz GBUNWIXKBMKSDO-UHFFFAOYSA-N 2 1 328.464 1.723 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C[NH+]1CCCC1 ZINC000569085533 321317843 /nfs/dbraw/zinc/31/78/43/321317843.db2.gz YRCXUCPJCYZLJY-DOTOQJQBSA-N 2 1 331.464 1.469 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(C(C)=O)cc2)C1 ZINC000569228402 321322031 /nfs/dbraw/zinc/32/20/31/321322031.db2.gz DELUKSBNFOZBRR-SJLPKXTDSA-N 2 1 334.460 1.950 20 0 EDADMP CCN1CCN([C@@H]2CCN(C(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000570043454 321335993 /nfs/dbraw/zinc/33/59/93/321335993.db2.gz XRJRTVXFRLYAFP-RCCFBDPRSA-N 2 1 336.524 1.251 20 0 EDADMP CN(CCC[N@@H+](C)C[C@@H](O)COc1ccc(F)cc1)CC[NH+](C)C ZINC000289380198 444124490 /nfs/dbraw/zinc/12/44/90/444124490.db2.gz JDPVATHWDALVIL-QGZVFWFLSA-N 2 1 341.471 1.381 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCO)[C@H]2CCc3ccccc32)CC1 ZINC000304762893 444253089 /nfs/dbraw/zinc/25/30/89/444253089.db2.gz WDSXMNNMYJIZDQ-IBGZPJMESA-N 2 1 345.487 1.569 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)C1 ZINC000305237667 444267149 /nfs/dbraw/zinc/26/71/49/444267149.db2.gz OLSDXZDCKNQEPN-PMACEKPBSA-N 2 1 347.503 1.276 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)C1 ZINC000305237667 444267151 /nfs/dbraw/zinc/26/71/51/444267151.db2.gz OLSDXZDCKNQEPN-PMACEKPBSA-N 2 1 347.503 1.276 20 0 EDADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000290041509 444234129 /nfs/dbraw/zinc/23/41/29/444234129.db2.gz UQAPKPZIMQTABP-QUCCMNQESA-N 2 1 343.471 1.490 20 0 EDADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000290041509 444234130 /nfs/dbraw/zinc/23/41/30/444234130.db2.gz UQAPKPZIMQTABP-QUCCMNQESA-N 2 1 343.471 1.490 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000290103120 444242446 /nfs/dbraw/zinc/24/24/46/444242446.db2.gz XUSLDHPISGJKJH-ROUUACIJSA-N 2 1 331.460 1.888 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000304147654 444242719 /nfs/dbraw/zinc/24/27/19/444242719.db2.gz JGLVERZYVCYCSR-OALUTQOASA-N 2 1 347.503 1.447 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000304147654 444242720 /nfs/dbraw/zinc/24/27/20/444242720.db2.gz JGLVERZYVCYCSR-OALUTQOASA-N 2 1 347.503 1.447 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000290731941 444316730 /nfs/dbraw/zinc/31/67/30/444316730.db2.gz WRFANWNABSGXBY-IBGZPJMESA-N 2 1 346.519 1.651 20 0 EDADMP CN(C)CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000290731941 444316733 /nfs/dbraw/zinc/31/67/33/444316733.db2.gz WRFANWNABSGXBY-IBGZPJMESA-N 2 1 346.519 1.651 20 0 EDADMP CN(C)CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000290731941 444316736 /nfs/dbraw/zinc/31/67/36/444316736.db2.gz WRFANWNABSGXBY-IBGZPJMESA-N 2 1 346.519 1.651 20 0 EDADMP CN(CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)CC[NH+](C)C ZINC000290731941 444316738 /nfs/dbraw/zinc/31/67/38/444316738.db2.gz WRFANWNABSGXBY-IBGZPJMESA-N 2 1 346.519 1.651 20 0 EDADMP CN(CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)CC[NH+](C)C ZINC000290731941 444316740 /nfs/dbraw/zinc/31/67/40/444316740.db2.gz WRFANWNABSGXBY-IBGZPJMESA-N 2 1 346.519 1.651 20 0 EDADMP CCC[N@H+](CC(=O)N[C@H](C(=O)OC)[C@H](C)CC)C1CC[NH2+]CC1 ZINC000319857615 444326256 /nfs/dbraw/zinc/32/62/56/444326256.db2.gz OINGDWXLEFICOX-CJNGLKHVSA-N 2 1 327.469 1.154 20 0 EDADMP CCC[N@@H+](CC(=O)N[C@H](C(=O)OC)[C@H](C)CC)C1CC[NH2+]CC1 ZINC000319857615 444326260 /nfs/dbraw/zinc/32/62/60/444326260.db2.gz OINGDWXLEFICOX-CJNGLKHVSA-N 2 1 327.469 1.154 20 0 EDADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000580168700 322017181 /nfs/dbraw/zinc/01/71/81/322017181.db2.gz MGGFSUIPLFYMQV-KRWDZBQOSA-N 2 1 344.459 1.069 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000580168700 322017183 /nfs/dbraw/zinc/01/71/83/322017183.db2.gz MGGFSUIPLFYMQV-KRWDZBQOSA-N 2 1 344.459 1.069 20 0 EDADMP COc1ccc2ccccc2c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000580570563 322069606 /nfs/dbraw/zinc/06/96/06/322069606.db2.gz CHPTYOZNKIFTKH-RHSMWYFYSA-N 2 1 325.412 1.592 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000580655061 322079057 /nfs/dbraw/zinc/07/90/57/322079057.db2.gz DRMYDECACIAILH-RWUQJRKBSA-N 2 1 337.508 1.850 20 0 EDADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000580711741 322085556 /nfs/dbraw/zinc/08/55/56/322085556.db2.gz MLDXXVGXRQVZQT-QZTJIDSGSA-N 2 1 330.476 1.761 20 0 EDADMP CO[C@H]1CCC[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000580751718 322089999 /nfs/dbraw/zinc/08/99/99/322089999.db2.gz NALJEGGPEGEZQM-GJZGRUSLSA-N 2 1 332.448 1.977 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000580783462 322095698 /nfs/dbraw/zinc/09/56/98/322095698.db2.gz RHDJZQRLOLQJJU-OAHLLOKOSA-N 2 1 325.497 1.270 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000581235755 322151853 /nfs/dbraw/zinc/15/18/53/322151853.db2.gz IDLWEGHSQLUMKC-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000581245507 322153501 /nfs/dbraw/zinc/15/35/01/322153501.db2.gz DNQWRQGCJQSDJW-QAPCUYQASA-N 2 1 330.476 1.677 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)NCC3([NH3+])CCC3)CC2)oc1C ZINC000581359210 322167587 /nfs/dbraw/zinc/16/75/87/322167587.db2.gz AEAYSPHTVMKROM-UHFFFAOYSA-N 2 1 349.479 1.684 20 0 EDADMP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342134320 444527174 /nfs/dbraw/zinc/52/71/74/444527174.db2.gz PPKZZLUKWDEOCJ-UAGQMJEPSA-N 2 1 344.459 1.386 20 0 EDADMP CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342134320 444527178 /nfs/dbraw/zinc/52/71/78/444527178.db2.gz PPKZZLUKWDEOCJ-UAGQMJEPSA-N 2 1 344.459 1.386 20 0 EDADMP CCc1nc(NCCN2CCN(C(=O)C3CCC3)CC2)cc(C)[nH+]1 ZINC000329386695 444559193 /nfs/dbraw/zinc/55/91/93/444559193.db2.gz PTZSUHBDWWHEMT-UHFFFAOYSA-N 2 1 331.464 1.704 20 0 EDADMP CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000338319007 444629699 /nfs/dbraw/zinc/62/96/99/444629699.db2.gz UEDUFSKIOXHGIR-CVEARBPZSA-N 2 1 329.510 1.076 20 0 EDADMP CS(=O)(=O)N1CC[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000338319007 444629702 /nfs/dbraw/zinc/62/97/02/444629702.db2.gz UEDUFSKIOXHGIR-CVEARBPZSA-N 2 1 329.510 1.076 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000343856805 444630348 /nfs/dbraw/zinc/63/03/48/444630348.db2.gz ZDYYTTSBHFJWDW-GDBMZVCRSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCO[C@H]2CCCCO2)CC1 ZINC000338275282 444604634 /nfs/dbraw/zinc/60/46/34/444604634.db2.gz PGCPCXWGVQXXJH-WMZOPIPTSA-N 2 1 328.497 1.944 20 0 EDADMP CC(C)C[C@H](CNc1ncnc2c1CN(C)CC2)[NH+]1CCOCC1 ZINC000329502093 444606102 /nfs/dbraw/zinc/60/61/02/444606102.db2.gz KQOGRIJDXFZEQY-OAHLLOKOSA-N 2 1 333.480 1.623 20 0 EDADMP CC(=O)N1CCN(Cc2ccccc2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000333389599 444663545 /nfs/dbraw/zinc/66/35/45/444663545.db2.gz YXGQZYPZNPJUOO-SFHVURJKSA-N 2 1 344.459 1.383 20 0 EDADMP CC(=O)N1CCN(Cc2ccccc2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000333389599 444663549 /nfs/dbraw/zinc/66/35/49/444663549.db2.gz YXGQZYPZNPJUOO-SFHVURJKSA-N 2 1 344.459 1.383 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000342349523 444647545 /nfs/dbraw/zinc/64/75/45/444647545.db2.gz RNYKBGAVUZWDLZ-UWWQBHOKSA-N 2 1 334.508 1.842 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000342349523 444647550 /nfs/dbraw/zinc/64/75/50/444647550.db2.gz RNYKBGAVUZWDLZ-UWWQBHOKSA-N 2 1 334.508 1.842 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000342349523 444647555 /nfs/dbraw/zinc/64/75/55/444647555.db2.gz RNYKBGAVUZWDLZ-UWWQBHOKSA-N 2 1 334.508 1.842 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000342470253 444704645 /nfs/dbraw/zinc/70/46/45/444704645.db2.gz VSFHLYULAMMYSA-PBHICJAKSA-N 2 1 343.475 1.046 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000333901172 444713224 /nfs/dbraw/zinc/71/32/24/444713224.db2.gz ZVHHIIFTQPUTQN-CVEARBPZSA-N 2 1 338.496 1.271 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@H+]1CCOC ZINC000341203568 444726674 /nfs/dbraw/zinc/72/66/74/444726674.db2.gz OLOQLOTUGHFHBB-BZUAXINKSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1CCOC ZINC000341203568 444726678 /nfs/dbraw/zinc/72/66/78/444726678.db2.gz OLOQLOTUGHFHBB-BZUAXINKSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1CCOC ZINC000341203568 444726682 /nfs/dbraw/zinc/72/66/82/444726682.db2.gz OLOQLOTUGHFHBB-BZUAXINKSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000341241577 444745280 /nfs/dbraw/zinc/74/52/80/444745280.db2.gz XXDOSEGEBPDUNA-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CC(C)[N@@H+]1CCCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000341241577 444745285 /nfs/dbraw/zinc/74/52/85/444745285.db2.gz XXDOSEGEBPDUNA-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000341241577 444745289 /nfs/dbraw/zinc/74/52/89/444745289.db2.gz XXDOSEGEBPDUNA-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CNS(=O)(=O)CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336707997 444794748 /nfs/dbraw/zinc/79/47/48/444794748.db2.gz JJSWEAODFFQDTM-KRWDZBQOSA-N 2 1 339.505 1.380 20 0 EDADMP CNS(=O)(=O)CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336707997 444794752 /nfs/dbraw/zinc/79/47/52/444794752.db2.gz JJSWEAODFFQDTM-KRWDZBQOSA-N 2 1 339.505 1.380 20 0 EDADMP CNS(=O)(=O)CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336707997 444794755 /nfs/dbraw/zinc/79/47/55/444794755.db2.gz JJSWEAODFFQDTM-KRWDZBQOSA-N 2 1 339.505 1.380 20 0 EDADMP CNS(=O)(=O)CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336707997 444794759 /nfs/dbraw/zinc/79/47/59/444794759.db2.gz JJSWEAODFFQDTM-KRWDZBQOSA-N 2 1 339.505 1.380 20 0 EDADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cn2cccnc2n1 ZINC000344127945 444796737 /nfs/dbraw/zinc/79/67/37/444796737.db2.gz HOGZVRVVIUAYFY-UHFFFAOYSA-N 2 1 330.480 1.579 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cn2cccnc2n1 ZINC000344127945 444796738 /nfs/dbraw/zinc/79/67/38/444796738.db2.gz HOGZVRVVIUAYFY-UHFFFAOYSA-N 2 1 330.480 1.579 20 0 EDADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)NC(C)(C)CC ZINC000344130037 444797629 /nfs/dbraw/zinc/79/76/29/444797629.db2.gz MNTWCSJHUAOQJQ-UHFFFAOYSA-N 2 1 326.529 1.641 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)NC(C)(C)CC ZINC000344130037 444797632 /nfs/dbraw/zinc/79/76/32/444797632.db2.gz MNTWCSJHUAOQJQ-UHFFFAOYSA-N 2 1 326.529 1.641 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330009661 444809566 /nfs/dbraw/zinc/80/95/66/444809566.db2.gz HLCGZNOWDSDXHX-OAHLLOKOSA-N 2 1 344.463 1.779 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330009661 444809571 /nfs/dbraw/zinc/80/95/71/444809571.db2.gz HLCGZNOWDSDXHX-OAHLLOKOSA-N 2 1 344.463 1.779 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000342715688 444830997 /nfs/dbraw/zinc/83/09/97/444830997.db2.gz XAOUEECLJTWVQG-ROUUACIJSA-N 2 1 345.487 1.986 20 0 EDADMP COC(=O)CCC[NH+]1CCC(NC2CC[NH+](C(C)C)CC2)CC1 ZINC000342783658 444865815 /nfs/dbraw/zinc/86/58/15/444865815.db2.gz OZUCVBVXNBPNHY-UHFFFAOYSA-N 2 1 325.497 1.866 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000337144460 444961192 /nfs/dbraw/zinc/96/11/92/444961192.db2.gz WMFFJXPGIHTTKB-UHFFFAOYSA-N 2 1 337.508 1.823 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)[C@H]2CCSC2)C1 ZINC000344453839 444983641 /nfs/dbraw/zinc/98/36/41/444983641.db2.gz MIROUWAUGKDIHV-CVEARBPZSA-N 2 1 327.538 1.908 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000344453839 444983645 /nfs/dbraw/zinc/98/36/45/444983645.db2.gz MIROUWAUGKDIHV-CVEARBPZSA-N 2 1 327.538 1.908 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000344453839 444983648 /nfs/dbraw/zinc/98/36/48/444983648.db2.gz MIROUWAUGKDIHV-CVEARBPZSA-N 2 1 327.538 1.908 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000341765884 444990550 /nfs/dbraw/zinc/99/05/50/444990550.db2.gz ABADOTQNXAIRBQ-ZHALLVOQSA-N 2 1 344.503 1.511 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000341765884 444990552 /nfs/dbraw/zinc/99/05/52/444990552.db2.gz ABADOTQNXAIRBQ-ZHALLVOQSA-N 2 1 344.503 1.511 20 0 EDADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343060564 445034830 /nfs/dbraw/zinc/03/48/30/445034830.db2.gz YSLHWINNMBZECG-RBUKOAKNSA-N 2 1 342.487 1.330 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)C(=O)NCC[N@@H+](CC)C(C)C)CC1 ZINC000343021471 445010400 /nfs/dbraw/zinc/01/04/00/445010400.db2.gz BDTIUPXBIYITFJ-UHFFFAOYSA-N 2 1 340.512 1.071 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000344599269 445080719 /nfs/dbraw/zinc/08/07/19/445080719.db2.gz VKKCQGFSWXAIDD-QXSJWSMHSA-N 2 1 341.521 1.134 20 0 EDADMP CC[N@@H+](CCOCCO)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000337463027 445092269 /nfs/dbraw/zinc/09/22/69/445092269.db2.gz KYNLZOJMABNHAJ-UHFFFAOYSA-N 2 1 335.492 1.659 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000339435153 445140304 /nfs/dbraw/zinc/14/03/04/445140304.db2.gz XMRUKMGEDDIZAR-LJQANCHMSA-N 2 1 334.508 1.147 20 0 EDADMP CN(CCOc1ccccc1F)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342095733 445169567 /nfs/dbraw/zinc/16/95/67/445169567.db2.gz YZPHDTNDPSQDHP-YQQAZPJKSA-N 2 1 349.450 1.722 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC000337651421 445187916 /nfs/dbraw/zinc/18/79/16/445187916.db2.gz KIWXGJPTGMWICF-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000337651421 445187919 /nfs/dbraw/zinc/18/79/19/445187919.db2.gz KIWXGJPTGMWICF-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000337651421 445187923 /nfs/dbraw/zinc/18/79/23/445187923.db2.gz KIWXGJPTGMWICF-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000337657685 445190506 /nfs/dbraw/zinc/19/05/06/445190506.db2.gz OGBKXXGCCGLZIM-UHFFFAOYSA-N 2 1 342.528 1.718 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000337657685 445190507 /nfs/dbraw/zinc/19/05/07/445190507.db2.gz OGBKXXGCCGLZIM-UHFFFAOYSA-N 2 1 342.528 1.718 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cnn(C)c1 ZINC000337573754 445144950 /nfs/dbraw/zinc/14/49/50/445144950.db2.gz FWXBJULDPYIPOT-KRWDZBQOSA-N 2 1 335.496 1.227 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)C[C@@H]21 ZINC000342079113 445160703 /nfs/dbraw/zinc/16/07/03/445160703.db2.gz DUORMEWDDIXSDV-YESZJQIVSA-N 2 1 344.459 1.462 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)[NH+](C)C1 ZINC000346697222 445223810 /nfs/dbraw/zinc/22/38/10/445223810.db2.gz BESJBTQAYWRLMP-RYQLBKOJSA-N 2 1 333.476 1.684 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)[NH+](C)C1 ZINC000346697222 445223812 /nfs/dbraw/zinc/22/38/12/445223812.db2.gz BESJBTQAYWRLMP-RYQLBKOJSA-N 2 1 333.476 1.684 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H](C)[NH+](C)Cc2ccccc2)[N@H+](C)C1 ZINC000346697222 445223814 /nfs/dbraw/zinc/22/38/14/445223814.db2.gz BESJBTQAYWRLMP-RYQLBKOJSA-N 2 1 333.476 1.684 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H](C)[NH+](C)Cc2ccccc2)[N@@H+](C)C1 ZINC000346697222 445223816 /nfs/dbraw/zinc/22/38/16/445223816.db2.gz BESJBTQAYWRLMP-RYQLBKOJSA-N 2 1 333.476 1.684 20 0 EDADMP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000346972448 445228954 /nfs/dbraw/zinc/22/89/54/445228954.db2.gz HJNFWYNLISLZPV-MRXNPFEDSA-N 2 1 329.510 1.312 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)[C@@H](C)C1 ZINC000347194514 445233782 /nfs/dbraw/zinc/23/37/82/445233782.db2.gz GYYBRPIFNMBSQO-LSDHHAIUSA-N 2 1 336.480 1.561 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343529569 445239336 /nfs/dbraw/zinc/23/93/36/445239336.db2.gz UCKYFLOFBAXLLS-SJLPKXTDSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343529569 445239338 /nfs/dbraw/zinc/23/93/38/445239338.db2.gz UCKYFLOFBAXLLS-SJLPKXTDSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343529569 445239340 /nfs/dbraw/zinc/23/93/40/445239340.db2.gz UCKYFLOFBAXLLS-SJLPKXTDSA-N 2 1 330.476 1.013 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347506853 445240034 /nfs/dbraw/zinc/24/00/34/445240034.db2.gz SLHSKSWUVQPIRS-IBGZPJMESA-N 2 1 342.487 1.532 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347524244 445241341 /nfs/dbraw/zinc/24/13/41/445241341.db2.gz QCFKZXHPUNCZBU-OAHLLOKOSA-N 2 1 330.476 1.293 20 0 EDADMP Cc1cc[nH+]c(NCCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000347741660 445246207 /nfs/dbraw/zinc/24/62/07/445246207.db2.gz QOFVPSMTNVGEEO-UHFFFAOYSA-N 2 1 326.448 2.194 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000343583329 445251527 /nfs/dbraw/zinc/25/15/27/445251527.db2.gz YSWKERCPWCKEOD-KRWDZBQOSA-N 2 1 345.491 1.438 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[NH+](C)C1 ZINC000348074676 445264538 /nfs/dbraw/zinc/26/45/38/445264538.db2.gz UGHDUEYHSROQJY-YESZJQIVSA-N 2 1 338.496 1.364 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[N@H+](C)C1 ZINC000348074676 445264539 /nfs/dbraw/zinc/26/45/39/445264539.db2.gz UGHDUEYHSROQJY-YESZJQIVSA-N 2 1 338.496 1.364 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[N@@H+](C)C1 ZINC000348074676 445264540 /nfs/dbraw/zinc/26/45/40/445264540.db2.gz UGHDUEYHSROQJY-YESZJQIVSA-N 2 1 338.496 1.364 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2ccncc2)cc[nH+]1 ZINC000348172603 445303050 /nfs/dbraw/zinc/30/30/50/445303050.db2.gz RZXJHGAZXYZELD-HOTGVXAUSA-N 2 1 344.438 1.986 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2ccncc2)cc[nH+]1 ZINC000348172603 445303054 /nfs/dbraw/zinc/30/30/54/445303054.db2.gz RZXJHGAZXYZELD-HOTGVXAUSA-N 2 1 344.438 1.986 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC000351820139 445333231 /nfs/dbraw/zinc/33/32/31/445333231.db2.gz COTUSXGPUHUADG-HKUYNNGSSA-N 2 1 345.487 1.342 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC000351820139 445333232 /nfs/dbraw/zinc/33/32/32/445333232.db2.gz COTUSXGPUHUADG-HKUYNNGSSA-N 2 1 345.487 1.342 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC000351820139 445333236 /nfs/dbraw/zinc/33/32/36/445333236.db2.gz COTUSXGPUHUADG-HKUYNNGSSA-N 2 1 345.487 1.342 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000351852250 445343322 /nfs/dbraw/zinc/34/33/22/445343322.db2.gz MEYZZNHJPTZXJY-STQMWFEESA-N 2 1 325.840 1.504 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000351852250 445343325 /nfs/dbraw/zinc/34/33/25/445343325.db2.gz MEYZZNHJPTZXJY-STQMWFEESA-N 2 1 325.840 1.504 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000351857328 445344932 /nfs/dbraw/zinc/34/49/32/445344932.db2.gz XGCTXTZSKDUPRA-OCCSQVGLSA-N 2 1 341.402 1.616 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000351857328 445344934 /nfs/dbraw/zinc/34/49/34/445344934.db2.gz XGCTXTZSKDUPRA-OCCSQVGLSA-N 2 1 341.402 1.616 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)CC2 ZINC000351862128 445346859 /nfs/dbraw/zinc/34/68/59/445346859.db2.gz NKKKIMSORRSLJK-HIFRSBDPSA-N 2 1 347.459 1.258 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)CC2 ZINC000351862128 445346861 /nfs/dbraw/zinc/34/68/61/445346861.db2.gz NKKKIMSORRSLJK-HIFRSBDPSA-N 2 1 347.459 1.258 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000348707098 445350294 /nfs/dbraw/zinc/35/02/94/445350294.db2.gz WNNXLTPUZQOTML-BBWFWOEESA-N 2 1 325.497 1.674 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000351904514 445366491 /nfs/dbraw/zinc/36/64/91/445366491.db2.gz CBMZJIGPZSYDHB-ROUUACIJSA-N 2 1 330.476 1.649 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000351904514 445366493 /nfs/dbraw/zinc/36/64/93/445366493.db2.gz CBMZJIGPZSYDHB-ROUUACIJSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000351904514 445366495 /nfs/dbraw/zinc/36/64/95/445366495.db2.gz CBMZJIGPZSYDHB-ROUUACIJSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000351904514 445366498 /nfs/dbraw/zinc/36/64/98/445366498.db2.gz CBMZJIGPZSYDHB-ROUUACIJSA-N 2 1 330.476 1.649 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000348822322 445402128 /nfs/dbraw/zinc/40/21/28/445402128.db2.gz ZGWSZFWBJJRMPK-IAGOWNOFSA-N 2 1 339.528 1.042 20 0 EDADMP [NH3+]CCOCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000357082155 445414850 /nfs/dbraw/zinc/41/48/50/445414850.db2.gz HETZZMDZDGHUCI-LBPRGKRZSA-N 2 1 326.828 1.361 20 0 EDADMP C[NH+](C)C[C@@H]1CCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000362504925 445415621 /nfs/dbraw/zinc/41/56/21/445415621.db2.gz BWOSRURJEFBCJZ-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000354845807 445421494 /nfs/dbraw/zinc/42/14/94/445421494.db2.gz DFASJNOSABRQHW-IRXDYDNUSA-N 2 1 346.454 1.583 20 0 EDADMP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000357093966 445424750 /nfs/dbraw/zinc/42/47/50/445424750.db2.gz XEKKUUJEZKMXNJ-KRWDZBQOSA-N 2 1 332.492 1.655 20 0 EDADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000357093966 445424753 /nfs/dbraw/zinc/42/47/53/445424753.db2.gz XEKKUUJEZKMXNJ-KRWDZBQOSA-N 2 1 332.492 1.655 20 0 EDADMP Cc1ccc(C[NH2+]C[C@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)nc1 ZINC000354935671 445435631 /nfs/dbraw/zinc/43/56/31/445435631.db2.gz RHPMFTIDMHAKBE-GDBMZVCRSA-N 2 1 344.438 1.953 20 0 EDADMP CC(C)CN(CC[NH+](C)C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000348903426 445435996 /nfs/dbraw/zinc/43/59/96/445435996.db2.gz GOSGFFDSVXJGJP-UHFFFAOYSA-N 2 1 334.512 1.248 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)[C@H](C)C1 ZINC000355628898 445471210 /nfs/dbraw/zinc/47/12/10/445471210.db2.gz CTABKWFVCOQSRU-OWCLPIDISA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)[C@H](C)C1 ZINC000355628898 445471216 /nfs/dbraw/zinc/47/12/16/445471216.db2.gz CTABKWFVCOQSRU-OWCLPIDISA-N 2 1 340.512 1.203 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](CCC)[NH2+]C(C)C)CC1 ZINC000352128380 445510951 /nfs/dbraw/zinc/51/09/51/445510951.db2.gz DBKGYUVXKQVSBR-INIZCTEOSA-N 2 1 340.512 1.260 20 0 EDADMP O=C(C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)NC1CC[NH+](C2CC2)CC1 ZINC000352421264 445528840 /nfs/dbraw/zinc/52/88/40/445528840.db2.gz CCYDMJZDWCSIME-HKUYNNGSSA-N 2 1 347.503 1.763 20 0 EDADMP O=C(C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)NC1CC[NH+](C2CC2)CC1 ZINC000352421264 445528845 /nfs/dbraw/zinc/52/88/45/445528845.db2.gz CCYDMJZDWCSIME-HKUYNNGSSA-N 2 1 347.503 1.763 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000362663029 445485066 /nfs/dbraw/zinc/48/50/66/445485066.db2.gz KMSHCMQBCZWBER-JSGCOSHPSA-N 2 1 346.431 1.292 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C ZINC000359919553 445489221 /nfs/dbraw/zinc/48/92/21/445489221.db2.gz VEHQUXKYWXRCGW-XHSDSOJGSA-N 2 1 328.501 1.203 20 0 EDADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000352122137 445506160 /nfs/dbraw/zinc/50/61/60/445506160.db2.gz SXNNCBUTTLNILM-IEBWSBKVSA-N 2 1 333.476 1.470 20 0 EDADMP Cc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)ccc1-n1cncn1 ZINC000349319492 445562483 /nfs/dbraw/zinc/56/24/83/445562483.db2.gz SYVHNUWQEVXJOQ-UHFFFAOYSA-N 2 1 342.491 1.645 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000353034898 445572759 /nfs/dbraw/zinc/57/27/59/445572759.db2.gz VTYZFMBJMZBXNW-MRXNPFEDSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000360125032 445580353 /nfs/dbraw/zinc/58/03/53/445580353.db2.gz NFEFZGNRROJPRQ-HZPDHXFCSA-N 2 1 342.528 1.449 20 0 EDADMP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1nc2ccccc2o1 ZINC000349227779 445540920 /nfs/dbraw/zinc/54/09/20/445540920.db2.gz VGJKWDUXJGECQL-INIZCTEOSA-N 2 1 346.475 1.869 20 0 EDADMP CC[C@H](C(=O)N1CC[C@@H]([NH+](C)CCO)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000356070330 445601449 /nfs/dbraw/zinc/60/14/49/445601449.db2.gz RPZACNGAZHELBE-QXAKKESOSA-N 2 1 347.503 1.811 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]([NH+](C)CCO)[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000356071790 445602377 /nfs/dbraw/zinc/60/23/77/445602377.db2.gz UOYNPIDXHDYHKA-FCEWJHQRSA-N 2 1 345.487 1.347 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]([N@H+](C)CCO)[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000356071790 445602382 /nfs/dbraw/zinc/60/23/82/445602382.db2.gz UOYNPIDXHDYHKA-FCEWJHQRSA-N 2 1 345.487 1.347 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCO)[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000356071790 445602386 /nfs/dbraw/zinc/60/23/86/445602386.db2.gz UOYNPIDXHDYHKA-FCEWJHQRSA-N 2 1 345.487 1.347 20 0 EDADMP CC(C)CNC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000362910183 445606738 /nfs/dbraw/zinc/60/67/38/445606738.db2.gz GEGJTUTXRYPNDV-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NC[C@@H]1Cc2ccccc2O1 ZINC000358515563 445627910 /nfs/dbraw/zinc/62/79/10/445627910.db2.gz ZENLXZZBHQKBRN-INIZCTEOSA-N 2 1 329.444 1.182 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358520543 445630367 /nfs/dbraw/zinc/63/03/67/445630367.db2.gz VXOYWYFXQGTBJH-CYBMUJFWSA-N 2 1 330.432 1.188 20 0 EDADMP C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000356050881 445591017 /nfs/dbraw/zinc/59/10/17/445591017.db2.gz SUGHBCALOFIHNI-APWZRJJASA-N 2 1 345.487 1.810 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000363001416 445645650 /nfs/dbraw/zinc/64/56/50/445645650.db2.gz NFKSLUIWWOHEEW-AEFFLSMTSA-N 2 1 339.524 1.781 20 0 EDADMP COCC[NH+](C)CCCC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000363001416 445645652 /nfs/dbraw/zinc/64/56/52/445645652.db2.gz NFKSLUIWWOHEEW-AEFFLSMTSA-N 2 1 339.524 1.781 20 0 EDADMP COCC[NH+](C)CCCC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000363001416 445645655 /nfs/dbraw/zinc/64/56/55/445645655.db2.gz NFKSLUIWWOHEEW-AEFFLSMTSA-N 2 1 339.524 1.781 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000356143525 445644193 /nfs/dbraw/zinc/64/41/93/445644193.db2.gz LMAHIOGGCCPMSC-UHFFFAOYSA-N 2 1 332.452 1.636 20 0 EDADMP CCC[N@@H+](C)CC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000358588193 445662843 /nfs/dbraw/zinc/66/28/43/445662843.db2.gz JWAYZZPYYGXVPO-UHFFFAOYSA-N 2 1 346.475 1.032 20 0 EDADMP C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000363097994 445676149 /nfs/dbraw/zinc/67/61/49/445676149.db2.gz VVFKGFGEGQOALA-UHFFFAOYSA-N 2 1 344.459 1.371 20 0 EDADMP C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000363097994 445676151 /nfs/dbraw/zinc/67/61/51/445676151.db2.gz VVFKGFGEGQOALA-UHFFFAOYSA-N 2 1 344.459 1.371 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+]1CCCC1 ZINC000358658577 445699048 /nfs/dbraw/zinc/69/90/48/445699048.db2.gz FFNRSMAUYHCNRH-SJLPKXTDSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)N2CCN(Cc3cccc(O)c3)CC2)CC[N@H+]1C ZINC000353688941 445707858 /nfs/dbraw/zinc/70/78/58/445707858.db2.gz BGDKBQBGVHYIHN-WBVHZDCISA-N 2 1 331.460 1.767 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353588911 445669140 /nfs/dbraw/zinc/66/91/40/445669140.db2.gz OEPWJOMGRIRACT-KSZLIROESA-N 2 1 345.487 1.816 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(C)C ZINC000356302813 445725741 /nfs/dbraw/zinc/72/57/41/445725741.db2.gz RKOLJEMGXKRWSO-UHFFFAOYSA-N 2 1 340.512 1.661 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc(N3CCN(C)CC3)nc2)C[C@@H]1C ZINC000353743310 445735683 /nfs/dbraw/zinc/73/56/83/445735683.db2.gz CJRPGYNNRWBCMQ-WMZOPIPTSA-N 3 1 346.523 1.533 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000353743310 445735687 /nfs/dbraw/zinc/73/56/87/445735687.db2.gz CJRPGYNNRWBCMQ-WMZOPIPTSA-N 3 1 346.523 1.533 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000353743310 445735692 /nfs/dbraw/zinc/73/56/92/445735692.db2.gz CJRPGYNNRWBCMQ-WMZOPIPTSA-N 3 1 346.523 1.533 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000353775245 445750025 /nfs/dbraw/zinc/75/00/25/445750025.db2.gz DXEZZOZNWXLPGR-INIZCTEOSA-N 2 1 336.480 1.966 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000361267928 445757133 /nfs/dbraw/zinc/75/71/33/445757133.db2.gz CKTLYPFQUHORTE-GUDVDZBRSA-N 3 1 338.540 1.103 20 0 EDADMP C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000361267928 445757137 /nfs/dbraw/zinc/75/71/37/445757137.db2.gz CKTLYPFQUHORTE-GUDVDZBRSA-N 2 1 338.540 1.103 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000363304154 445758977 /nfs/dbraw/zinc/75/89/77/445758977.db2.gz ZQIACIXJHWINDO-KRWDZBQOSA-N 2 1 336.524 1.347 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000363312413 445761633 /nfs/dbraw/zinc/76/16/33/445761633.db2.gz KVJBYPVVLIXZCC-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000353804312 445763564 /nfs/dbraw/zinc/76/35/64/445763564.db2.gz RYXGFRNIKNPYCG-SFHVURJKSA-N 2 1 333.476 1.859 20 0 EDADMP CC[C@H]1CCCCN1C(=O)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363417553 445795506 /nfs/dbraw/zinc/79/55/06/445795506.db2.gz JVKDZHLIWOYZFU-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCOCC1 ZINC000363436443 445801621 /nfs/dbraw/zinc/80/16/21/445801621.db2.gz KNAOJIIAJFUCDZ-QGZVFWFLSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCOCC1 ZINC000363436443 445801626 /nfs/dbraw/zinc/80/16/26/445801626.db2.gz KNAOJIIAJFUCDZ-QGZVFWFLSA-N 2 1 345.487 1.878 20 0 EDADMP COC[C@@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000361695438 445882381 /nfs/dbraw/zinc/88/23/81/445882381.db2.gz XWFYXFQIHJQZTP-MRXNPFEDSA-N 2 1 349.475 1.354 20 0 EDADMP COC[C@@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000361695438 445882382 /nfs/dbraw/zinc/88/23/82/445882382.db2.gz XWFYXFQIHJQZTP-MRXNPFEDSA-N 2 1 349.475 1.354 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000353985608 445840481 /nfs/dbraw/zinc/84/04/81/445840481.db2.gz DGKPNVQZVWKJEX-GLHLROKDSA-N 2 1 336.524 1.388 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000350619198 445856891 /nfs/dbraw/zinc/85/68/91/445856891.db2.gz PJFGLAJFNXVJNQ-LSDHHAIUSA-N 2 1 340.512 1.022 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@]2(F)CC[NH2+]C2)C[C@@H](C)O1 ZINC000361711546 445892331 /nfs/dbraw/zinc/89/23/31/445892331.db2.gz SUHCSBGUZGXGQF-SPYBWZPUSA-N 2 1 349.450 1.614 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000361743079 445909703 /nfs/dbraw/zinc/90/97/03/445909703.db2.gz BWMBIMHSHCFGRI-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000356765195 445995636 /nfs/dbraw/zinc/99/56/36/445995636.db2.gz KDGVYZHBVZHCBW-OAHLLOKOSA-N 2 1 335.496 1.477 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000356765195 445995643 /nfs/dbraw/zinc/99/56/43/445995643.db2.gz KDGVYZHBVZHCBW-OAHLLOKOSA-N 2 1 335.496 1.477 20 0 EDADMP CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000361793031 445951022 /nfs/dbraw/zinc/95/10/22/445951022.db2.gz TYLGHYYIPJWFJX-IJEWVQPXSA-N 2 1 331.526 1.507 20 0 EDADMP CCNc1nc(NC(C)(C)C)nc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000366110061 446018928 /nfs/dbraw/zinc/01/89/28/446018928.db2.gz HIPIXXLAVPETRN-QGZVFWFLSA-N 2 1 333.484 1.468 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000583554604 326094212 /nfs/dbraw/zinc/09/42/12/326094212.db2.gz UKLYPBSQKCUQLX-QGZVFWFLSA-N 2 1 345.491 1.202 20 0 EDADMP CC[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000583682519 326117454 /nfs/dbraw/zinc/11/74/54/326117454.db2.gz ZFTNECUENGUHCO-MSOLQXFVSA-N 2 1 330.476 1.875 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000583867365 326155405 /nfs/dbraw/zinc/15/54/05/326155405.db2.gz DGQMWMFXZVKHGT-KRWDZBQOSA-N 2 1 335.492 1.350 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000583997156 326180559 /nfs/dbraw/zinc/18/05/59/326180559.db2.gz WCDCDNPJNJTMDW-IRXDYDNUSA-N 2 1 330.476 1.313 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCc3cnn(-c4ccccc4)c3)C[C@H]12 ZINC000351472208 446072590 /nfs/dbraw/zinc/07/25/90/446072590.db2.gz AFTMREIZATXTQE-RYQLBKOJSA-N 2 1 339.443 1.158 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCc3cnn(-c4ccccc4)c3)C[C@H]12 ZINC000351472208 446072601 /nfs/dbraw/zinc/07/26/01/446072601.db2.gz AFTMREIZATXTQE-RYQLBKOJSA-N 2 1 339.443 1.158 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)C[C@@H]12 ZINC000351482419 446082634 /nfs/dbraw/zinc/08/26/34/446082634.db2.gz ZOJZNYYFXZBVJD-VDHUWJSZSA-N 2 1 347.434 1.395 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)C[C@@H]12 ZINC000351482419 446082637 /nfs/dbraw/zinc/08/26/37/446082637.db2.gz ZOJZNYYFXZBVJD-VDHUWJSZSA-N 2 1 347.434 1.395 20 0 EDADMP O=C1C[C@H](N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207273 446096537 /nfs/dbraw/zinc/09/65/37/446096537.db2.gz WGIWTAFPPJLQFX-RVMXOQNASA-N 2 1 345.365 1.092 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N3CCN(c4ccccc4F)CC3)C[C@@H]12 ZINC000351497098 446103517 /nfs/dbraw/zinc/10/35/17/446103517.db2.gz SPWSISYAADJLCN-ZMSDIMECSA-N 2 1 346.450 1.143 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CCN(c4ccccc4F)CC3)C[C@@H]12 ZINC000351497098 446103518 /nfs/dbraw/zinc/10/35/18/446103518.db2.gz SPWSISYAADJLCN-ZMSDIMECSA-N 2 1 346.450 1.143 20 0 EDADMP CC[C@H]1CN(C(=O)NCCC[NH+](CC)CC)C[C@@H]1[NH+]1CCOCC1 ZINC000366384501 446184678 /nfs/dbraw/zinc/18/46/78/446184678.db2.gz KLFPMLAIYFVBFC-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)CC1 ZINC000362065059 446189009 /nfs/dbraw/zinc/18/90/09/446189009.db2.gz RUGHABALMBUAHS-DLBZAZTESA-N 2 1 338.496 1.412 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)CC1 ZINC000362065059 446189012 /nfs/dbraw/zinc/18/90/12/446189012.db2.gz RUGHABALMBUAHS-DLBZAZTESA-N 2 1 338.496 1.412 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)no1 ZINC000359402589 446202724 /nfs/dbraw/zinc/20/27/24/446202724.db2.gz SHPMITKYZNOEPH-SUMWQHHRSA-N 2 1 332.448 1.825 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)no1 ZINC000359402589 446202729 /nfs/dbraw/zinc/20/27/29/446202729.db2.gz SHPMITKYZNOEPH-SUMWQHHRSA-N 2 1 332.448 1.825 20 0 EDADMP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000366430518 446211068 /nfs/dbraw/zinc/21/10/68/446211068.db2.gz ILVPGGLRLXHAHW-CVEARBPZSA-N 2 1 329.510 1.361 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000366430518 446211069 /nfs/dbraw/zinc/21/10/69/446211069.db2.gz ILVPGGLRLXHAHW-CVEARBPZSA-N 2 1 329.510 1.361 20 0 EDADMP c1nc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc(N2CCOCC2)n1 ZINC000365470613 446222331 /nfs/dbraw/zinc/22/23/31/446222331.db2.gz ITBOZAYCNCAMLZ-JYJNAYRXSA-N 2 1 329.448 1.234 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000373527228 446249517 /nfs/dbraw/zinc/24/95/17/446249517.db2.gz CCAZIVVJNGTLKB-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000373527228 446249520 /nfs/dbraw/zinc/24/95/20/446249520.db2.gz CCAZIVVJNGTLKB-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000370376800 446253758 /nfs/dbraw/zinc/25/37/58/446253758.db2.gz HCLYOWXHWMHOQO-IAGOWNOFSA-N 2 1 339.480 1.696 20 0 EDADMP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000370376800 446253761 /nfs/dbraw/zinc/25/37/61/446253761.db2.gz HCLYOWXHWMHOQO-IAGOWNOFSA-N 2 1 339.480 1.696 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000365564099 446256305 /nfs/dbraw/zinc/25/63/05/446256305.db2.gz DUPXOGHKCWAOMJ-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC000362272483 446297335 /nfs/dbraw/zinc/29/73/35/446297335.db2.gz GAQGBPVFSUYHBS-BPQIPLTHSA-N 2 1 337.508 1.914 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC000362272483 446297338 /nfs/dbraw/zinc/29/73/38/446297338.db2.gz GAQGBPVFSUYHBS-BPQIPLTHSA-N 2 1 337.508 1.914 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3Cc4ccccc4[C@H]3O)C2)CC1 ZINC000362238514 446280279 /nfs/dbraw/zinc/28/02/79/446280279.db2.gz QUTHGTIROIDOES-YZGWKJHDSA-N 2 1 329.488 1.745 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417339425 446347628 /nfs/dbraw/zinc/34/76/28/446347628.db2.gz ZXDCIWGORIQAIR-IRXDYDNUSA-N 2 1 347.507 1.981 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000370577467 446339050 /nfs/dbraw/zinc/33/90/50/446339050.db2.gz HCYPFTKCVSZDPF-OAGGEKHMSA-N 2 1 335.448 1.488 20 0 EDADMP Cn1cc(N2CC[C@H]([N@H+]3CCCC4(CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000366888314 446398945 /nfs/dbraw/zinc/39/89/45/446398945.db2.gz UTHNZALSIXRNLW-INIZCTEOSA-N 2 1 331.464 1.333 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417589100 446365105 /nfs/dbraw/zinc/36/51/05/446365105.db2.gz VGJPVXPYRRDEOP-HNNXBMFYSA-N 2 1 340.512 1.694 20 0 EDADMP CC[C@H](NC(=O)NCC[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417893604 446377545 /nfs/dbraw/zinc/37/75/45/446377545.db2.gz NAAAVRZEBVRQKI-IRXDYDNUSA-N 2 1 334.464 1.185 20 0 EDADMP CC[C@H](NC(=O)NCC[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417893604 446377546 /nfs/dbraw/zinc/37/75/46/446377546.db2.gz NAAAVRZEBVRQKI-IRXDYDNUSA-N 2 1 334.464 1.185 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)N(CC[NH3+])CCO)C[N@H+]1Cc1ccccc1 ZINC000417929592 446389001 /nfs/dbraw/zinc/38/90/01/446389001.db2.gz SVKGIIJOFJTYBC-AEFFLSMTSA-N 2 1 348.491 1.250 20 0 EDADMP C[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000431793033 446433026 /nfs/dbraw/zinc/43/30/26/446433026.db2.gz FRHRGDKFCXPLIT-WMZOPIPTSA-N 2 1 333.476 1.764 20 0 EDADMP COc1cc2[nH+]c(N3CC[C@@H]4[NH2+]CC[C@@H]4C3)nc(N)c2cc1OC ZINC000420265556 446440537 /nfs/dbraw/zinc/44/05/37/446440537.db2.gz WDCQRRRPFZJVMO-PWSUYJOCSA-N 2 1 329.404 1.417 20 0 EDADMP COc1ccc([C@H](NC[C@@H]2CCC[N@H+]2CCCO)[C@@H]2CCC[NH2+]2)cc1 ZINC000423144946 446440733 /nfs/dbraw/zinc/44/07/33/446440733.db2.gz ILDFVAZVFWKGKP-IHPCNDPISA-N 2 1 347.503 1.925 20 0 EDADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(-n2cnnn2)cc1 ZINC000423189847 446448533 /nfs/dbraw/zinc/44/85/33/446448533.db2.gz QAGIKQPNSPESBH-OAHLLOKOSA-N 2 1 337.431 1.888 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(NC[C@H]2C[NH2+]CCCO2)cc[nH+]1 ZINC000420282430 446449847 /nfs/dbraw/zinc/44/98/47/446449847.db2.gz WPVZYOWOTTZIJF-INMHGKMJSA-N 2 1 349.479 1.883 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000420284629 446450990 /nfs/dbraw/zinc/45/09/90/446450990.db2.gz URNZQCLQHCFLCM-MRXNPFEDSA-N 2 1 327.432 1.988 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)cn2)CC1 ZINC000370720411 446402542 /nfs/dbraw/zinc/40/25/42/446402542.db2.gz NUHJCABZSYLLNM-IRXDYDNUSA-N 2 1 331.464 1.087 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H]([C@H]4CCOC4)C3)cn2)CC1 ZINC000370720411 446402546 /nfs/dbraw/zinc/40/25/46/446402546.db2.gz NUHJCABZSYLLNM-IRXDYDNUSA-N 2 1 331.464 1.087 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCNC[C@](C)(F)C1 ZINC000417989963 446409475 /nfs/dbraw/zinc/40/94/75/446409475.db2.gz UEKGRWZLUXMDCY-YJBOKZPZSA-N 2 1 336.455 1.850 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000417989963 446409479 /nfs/dbraw/zinc/40/94/79/446409479.db2.gz UEKGRWZLUXMDCY-YJBOKZPZSA-N 2 1 336.455 1.850 20 0 EDADMP CCOC(=O)c1c[nH+]c2cc3c(cc2c1N1C[C@H]([NH3+])[C@@H](C)C1)OCO3 ZINC000420285449 446451506 /nfs/dbraw/zinc/45/15/06/446451506.db2.gz VPNOAEGJIQFNFA-GWCFXTLKSA-N 2 1 343.383 1.924 20 0 EDADMP Cc1[nH+]ccn1-c1cccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000370748820 446415108 /nfs/dbraw/zinc/41/51/08/446415108.db2.gz TVCKIOKSZRAHDB-INIZCTEOSA-N 2 1 327.432 1.734 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000418017700 446417125 /nfs/dbraw/zinc/41/71/25/446417125.db2.gz SWSLQXGMGCKQRV-LMSBXDPUSA-N 2 1 330.476 1.886 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418017817 446417769 /nfs/dbraw/zinc/41/77/69/446417769.db2.gz UDTSIONBESNKNB-HPBDAGMYSA-N 2 1 328.460 1.510 20 0 EDADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000420291758 446456131 /nfs/dbraw/zinc/45/61/31/446456131.db2.gz KSALHAYFOJHECT-HOTGVXAUSA-N 2 1 346.475 1.417 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)CC[C@@H]3CC[NH2+]C3)C2=O)c1 ZINC000420299870 446461220 /nfs/dbraw/zinc/46/12/20/446461220.db2.gz JPUAOQCVLYPXLJ-KSSFIOAISA-N 2 1 347.459 1.741 20 0 EDADMP CC(C)C(=O)N[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420306672 446469509 /nfs/dbraw/zinc/46/95/09/446469509.db2.gz QVUURSIYLRNLFP-BZSNNMDCSA-N 2 1 333.476 1.154 20 0 EDADMP CC(C)C(=O)N[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420306672 446469514 /nfs/dbraw/zinc/46/95/14/446469514.db2.gz QVUURSIYLRNLFP-BZSNNMDCSA-N 2 1 333.476 1.154 20 0 EDADMP CN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370840967 446473042 /nfs/dbraw/zinc/47/30/42/446473042.db2.gz LGISWXYEYRTQNA-MRXNPFEDSA-N 2 1 345.443 1.656 20 0 EDADMP CN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370840967 446473050 /nfs/dbraw/zinc/47/30/50/446473050.db2.gz LGISWXYEYRTQNA-MRXNPFEDSA-N 2 1 345.443 1.656 20 0 EDADMP CC[C@H]1CN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC[N@H+]1CCOC ZINC000420309750 446473109 /nfs/dbraw/zinc/47/31/09/446473109.db2.gz FEYFFRHEMWDEJT-ROUUACIJSA-N 2 1 335.492 1.780 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](NC(=O)C(C)C)C2)cc1 ZINC000420312311 446476514 /nfs/dbraw/zinc/47/65/14/446476514.db2.gz WSSLWHMAGNVCBU-DLBZAZTESA-N 2 1 333.476 1.974 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](NC(=O)C(C)C)C2)cc1 ZINC000420312311 446476521 /nfs/dbraw/zinc/47/65/21/446476521.db2.gz WSSLWHMAGNVCBU-DLBZAZTESA-N 2 1 333.476 1.974 20 0 EDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423298330 446477460 /nfs/dbraw/zinc/47/74/60/446477460.db2.gz OBSZHTQWXBSHTQ-CZUORRHYSA-N 2 1 325.478 1.819 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000376412550 446482720 /nfs/dbraw/zinc/48/27/20/446482720.db2.gz IAILDZVUMJIZTI-CABCVRRESA-N 2 1 331.464 1.988 20 0 EDADMP C[NH2+]CCCNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418282974 446482808 /nfs/dbraw/zinc/48/28/08/446482808.db2.gz ZGUVKHIZVXNCEJ-QGZVFWFLSA-N 2 1 333.480 1.687 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(C[NH+](C)C)c2)CCCO1 ZINC000432546975 446484552 /nfs/dbraw/zinc/48/45/52/446484552.db2.gz QMTLDJULEXYPDD-MRXNPFEDSA-N 2 1 333.476 1.979 20 0 EDADMP C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)[N@H+]1CCCC[C@H]1C ZINC000423318621 446486891 /nfs/dbraw/zinc/48/68/91/446486891.db2.gz CRDALENAVAJSHU-ILXRZTDVSA-N 2 1 333.480 1.869 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423363740 446501150 /nfs/dbraw/zinc/50/11/50/446501150.db2.gz VDBOIJKZUIMIHX-OAHLLOKOSA-N 2 1 336.484 1.401 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423367601 446503117 /nfs/dbraw/zinc/50/31/17/446503117.db2.gz DJBSRKAXHSPLGF-CABCVRRESA-N 2 1 333.480 1.491 20 0 EDADMP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(C)n1 ZINC000411358918 446504272 /nfs/dbraw/zinc/50/42/72/446504272.db2.gz QKDNPQFUELTMJS-LSDHHAIUSA-N 2 1 330.432 1.498 20 0 EDADMP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c(C)n1 ZINC000411358918 446504279 /nfs/dbraw/zinc/50/42/79/446504279.db2.gz QKDNPQFUELTMJS-LSDHHAIUSA-N 2 1 330.432 1.498 20 0 EDADMP COC[C@]1(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CC[NH2+]C1 ZINC000423375128 446507368 /nfs/dbraw/zinc/50/73/68/446507368.db2.gz XLVMKVTWQGRKPM-SFHVURJKSA-N 2 1 346.406 1.562 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418341240 446507745 /nfs/dbraw/zinc/50/77/45/446507745.db2.gz OVEDQEZYHPDMHN-DLBZAZTESA-N 3 1 339.528 1.044 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)C1CCCCC1 ZINC000418343122 446508411 /nfs/dbraw/zinc/50/84/11/446508411.db2.gz AMFFWACIHXYKPL-JKSUJKDBSA-N 2 1 326.485 1.040 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000423392018 446514934 /nfs/dbraw/zinc/51/49/34/446514934.db2.gz XGSMGQNCPFVSNG-PMPSAXMXSA-N 2 1 340.512 1.007 20 0 EDADMP CCC[NH2+]CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000418491052 446563247 /nfs/dbraw/zinc/56/32/47/446563247.db2.gz QTTPYIHMXVUFAQ-XYPWUTKMSA-N 2 1 326.485 1.269 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)C[NH3+] ZINC000418492175 446563533 /nfs/dbraw/zinc/56/35/33/446563533.db2.gz PECUETOKIGNVPL-RDJZCZTQSA-N 2 1 333.480 1.672 20 0 EDADMP O=C(N[C@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418496749 446566107 /nfs/dbraw/zinc/56/61/07/446566107.db2.gz GBLAARUFBLFLGP-FHWLQOOXSA-N 2 1 342.487 1.902 20 0 EDADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347280 446520616 /nfs/dbraw/zinc/52/06/16/446520616.db2.gz GHSMEMLJLFRGDM-HOCLYGCPSA-N 2 1 334.439 1.441 20 0 EDADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347280 446520625 /nfs/dbraw/zinc/52/06/25/446520625.db2.gz GHSMEMLJLFRGDM-HOCLYGCPSA-N 2 1 334.439 1.441 20 0 EDADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348269 446522684 /nfs/dbraw/zinc/52/26/84/446522684.db2.gz KLQKGRGYOBQLKE-HNNXBMFYSA-N 2 1 334.439 1.442 20 0 EDADMP CCc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420350115 446527559 /nfs/dbraw/zinc/52/75/59/446527559.db2.gz RJLDOHQYKVINSV-LPHOPBHVSA-N 2 1 344.503 1.406 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349702 446527700 /nfs/dbraw/zinc/52/77/00/446527700.db2.gz QDPBTMCLTRNPOG-JSGCOSHPSA-N 2 1 338.402 1.271 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349702 446527708 /nfs/dbraw/zinc/52/77/08/446527708.db2.gz QDPBTMCLTRNPOG-JSGCOSHPSA-N 2 1 338.402 1.271 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C3(C)C[NH2+]C3)C2)cc(OC)c1 ZINC000423422073 446528423 /nfs/dbraw/zinc/52/84/23/446528423.db2.gz CQFZPKBUEORTKD-AWEZNQCLSA-N 2 1 333.432 1.004 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C3(C)C[NH2+]C3)C2)cc(OC)c1 ZINC000423422073 446528429 /nfs/dbraw/zinc/52/84/29/446528429.db2.gz CQFZPKBUEORTKD-AWEZNQCLSA-N 2 1 333.432 1.004 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000418419045 446539131 /nfs/dbraw/zinc/53/91/31/446539131.db2.gz ZAGCSHSCCXKZPP-DLBZAZTESA-N 3 1 341.544 1.417 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000367411140 446542975 /nfs/dbraw/zinc/54/29/75/446542975.db2.gz WSAVWQGVXXRMTM-MRXNPFEDSA-N 2 1 330.476 1.997 20 0 EDADMP [NH3+][C@@H](CNC(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000418447643 446545112 /nfs/dbraw/zinc/54/51/12/446545112.db2.gz ISHWIQMPLJJUBO-ABHNRTSZSA-N 2 1 345.491 1.202 20 0 EDADMP COCC[NH+](CCOC)C1CC[NH+](CCC2CCOCC2)CC1 ZINC000433206578 446547921 /nfs/dbraw/zinc/54/79/21/446547921.db2.gz OIWQTRNZUAVCSW-UHFFFAOYSA-N 2 1 328.497 1.862 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418458302 446550126 /nfs/dbraw/zinc/55/01/26/446550126.db2.gz FKHQERAUJSFFGL-TWMKSMIVSA-N 2 1 340.512 1.787 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418458302 446550132 /nfs/dbraw/zinc/55/01/32/446550132.db2.gz FKHQERAUJSFFGL-TWMKSMIVSA-N 2 1 340.512 1.787 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000453241997 446550658 /nfs/dbraw/zinc/55/06/58/446550658.db2.gz DZNJDKOFYMUWAU-MBNYWOFBSA-N 2 1 342.281 1.929 20 0 EDADMP CCC[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000418464171 446554104 /nfs/dbraw/zinc/55/41/04/446554104.db2.gz AORLXVMFCLJVSO-ROUUACIJSA-N 2 1 348.491 1.168 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)NCC(F)F)CC2)CC1 ZINC000371075708 446612855 /nfs/dbraw/zinc/61/28/55/446612855.db2.gz QOHGOXYDTZRNKN-UHFFFAOYSA-N 2 1 332.439 1.747 20 0 EDADMP [NH3+]CC1(O)CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000420402013 446575407 /nfs/dbraw/zinc/57/54/07/446575407.db2.gz HSUIWXRGMLMQQW-CQSZACIVSA-N 2 1 341.814 1.370 20 0 EDADMP O=C(NCC1=CC[NH2+]CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418536658 446584679 /nfs/dbraw/zinc/58/46/79/446584679.db2.gz HBUHLOPJHJJOJC-KDURUIRLSA-N 2 1 340.471 1.680 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418551744 446590412 /nfs/dbraw/zinc/59/04/12/446590412.db2.gz GZNFRRWVWVVELF-SJLPKXTDSA-N 2 1 330.476 1.697 20 0 EDADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418622576 446619926 /nfs/dbraw/zinc/61/99/26/446619926.db2.gz VBNFIKOVHGXELL-ZVZYQTTQSA-N 2 1 347.507 1.979 20 0 EDADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418622576 446619930 /nfs/dbraw/zinc/61/99/30/446619930.db2.gz VBNFIKOVHGXELL-ZVZYQTTQSA-N 2 1 347.507 1.979 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C[C@@H]1CC ZINC000418591895 446607337 /nfs/dbraw/zinc/60/73/37/446607337.db2.gz KUYGEKHVGRYJEH-HRCADAONSA-N 2 1 326.485 1.127 20 0 EDADMP O=C(NCCC[C@H]1CCC[NH2+]1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000418677419 446645592 /nfs/dbraw/zinc/64/55/92/446645592.db2.gz UMZACSLLUGYPLW-KLAILNCOSA-N 2 1 337.512 1.034 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000423721230 446659337 /nfs/dbraw/zinc/65/93/37/446659337.db2.gz FHCZGFZCJZPTGF-QGZVFWFLSA-N 2 1 347.459 1.108 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@@H]3C)cc2F)CC1 ZINC000423646990 446622717 /nfs/dbraw/zinc/62/27/17/446622717.db2.gz MOVTWFQCHYEUKO-XJKSGUPXSA-N 2 1 334.439 1.529 20 0 EDADMP CCO[C@@H]1C[C@@H]1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371096146 446627052 /nfs/dbraw/zinc/62/70/52/446627052.db2.gz ZNCIUZULKRBCEY-ZWKOTPCHSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C[C@H](C)O1 ZINC000423756989 446687788 /nfs/dbraw/zinc/68/77/88/446687788.db2.gz CDZXWYMJPCTVAD-VVLHAWIVSA-N 2 1 325.497 1.852 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C[C@H](C)O1 ZINC000423756989 446687793 /nfs/dbraw/zinc/68/77/93/446687793.db2.gz CDZXWYMJPCTVAD-VVLHAWIVSA-N 2 1 325.497 1.852 20 0 EDADMP COCCC[NH+]1CCC(Nc2nc(N[C@H]3CCCOC3)cc[nH+]2)CC1 ZINC000435350164 446693623 /nfs/dbraw/zinc/69/36/23/446693623.db2.gz NNZGRHLZBYUPKI-INIZCTEOSA-N 2 1 349.479 1.980 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)cn1 ZINC000423767355 446694497 /nfs/dbraw/zinc/69/44/97/446694497.db2.gz YSLPQTDJQLRUGK-IAGOWNOFSA-N 2 1 333.480 1.455 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)cn1 ZINC000423767355 446694504 /nfs/dbraw/zinc/69/45/04/446694504.db2.gz YSLPQTDJQLRUGK-IAGOWNOFSA-N 2 1 333.480 1.455 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418787891 446702176 /nfs/dbraw/zinc/70/21/76/446702176.db2.gz KJZOAKVPHFECBM-SJLPKXTDSA-N 2 1 330.476 1.950 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280646 446739077 /nfs/dbraw/zinc/73/90/77/446739077.db2.gz RJVLTRXWCWQAJW-AEFFLSMTSA-N 2 1 330.476 1.361 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280646 446739086 /nfs/dbraw/zinc/73/90/86/446739086.db2.gz RJVLTRXWCWQAJW-AEFFLSMTSA-N 2 1 330.476 1.361 20 0 EDADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418795680 446708008 /nfs/dbraw/zinc/70/80/08/446708008.db2.gz SIDZRRIJOKODIQ-LMMKCTJWSA-N 2 1 346.475 1.050 20 0 EDADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000371251428 446716219 /nfs/dbraw/zinc/71/62/19/446716219.db2.gz LLGOBHQXQZOMLC-LJQANCHMSA-N 2 1 344.503 1.535 20 0 EDADMP CC[C@@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000423827829 446717271 /nfs/dbraw/zinc/71/72/71/446717271.db2.gz QJXLDXDMQBMORW-GOSISDBHSA-N 2 1 345.487 1.865 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)C3([NH3+])CCC3)CC[N@H+]2C2CC2)c1 ZINC000423828610 446718558 /nfs/dbraw/zinc/71/85/58/446718558.db2.gz OHKHVXSHEDXRCK-SJORKVTESA-N 2 1 329.444 1.971 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)CC1 ZINC000376790147 446720199 /nfs/dbraw/zinc/72/01/99/446720199.db2.gz VRKLTTHTWSSRCF-AUUYWEPGSA-N 2 1 331.460 1.812 20 0 EDADMP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000376817321 446736644 /nfs/dbraw/zinc/73/66/44/446736644.db2.gz AWNXKNJLRHDEAN-IKGGRYGDSA-N 2 1 349.500 1.666 20 0 EDADMP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000376817321 446736651 /nfs/dbraw/zinc/73/66/51/446736651.db2.gz AWNXKNJLRHDEAN-IKGGRYGDSA-N 2 1 349.500 1.666 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[NH2+][C@@H]3C)CC2)cn1 ZINC000423754387 446683755 /nfs/dbraw/zinc/68/37/55/446683755.db2.gz HXLGDXBCOMOVDE-AEFFLSMTSA-N 2 1 347.507 1.716 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[NH2+][C@@H]3C)CC2)cn1 ZINC000423754387 446683759 /nfs/dbraw/zinc/68/37/59/446683759.db2.gz HXLGDXBCOMOVDE-AEFFLSMTSA-N 2 1 347.507 1.716 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000423888959 446744575 /nfs/dbraw/zinc/74/45/75/446744575.db2.gz ZJRDMUILLGEPOO-BRSBDYLESA-N 2 1 337.508 1.853 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1(C)C ZINC000423903622 446753705 /nfs/dbraw/zinc/75/37/05/446753705.db2.gz NFKTVBRMDYCTPD-ASKNOMKYSA-N 2 1 349.519 1.994 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCOCC2(CCC2)C1)c1ccccc1 ZINC000375380163 446758922 /nfs/dbraw/zinc/75/89/22/446758922.db2.gz VIJHNOAGZZTFCM-GOSISDBHSA-N 2 1 345.487 1.908 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCOCC2(CCC2)C1)c1ccccc1 ZINC000375380163 446758927 /nfs/dbraw/zinc/75/89/27/446758927.db2.gz VIJHNOAGZZTFCM-GOSISDBHSA-N 2 1 345.487 1.908 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC(C)(C)C[C@H]2C)C1 ZINC000412019895 446787340 /nfs/dbraw/zinc/78/73/40/446787340.db2.gz GRNIBTWAGXYLFD-HZPDHXFCSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC(C)(C)C[C@H]2C)C1 ZINC000412019895 446787343 /nfs/dbraw/zinc/78/73/43/446787343.db2.gz GRNIBTWAGXYLFD-HZPDHXFCSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC(C)(C)C[C@H]2C)C1 ZINC000412019895 446787350 /nfs/dbraw/zinc/78/73/50/446787350.db2.gz GRNIBTWAGXYLFD-HZPDHXFCSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCCC[C@H]1C ZINC000438695793 446796974 /nfs/dbraw/zinc/79/69/74/446796974.db2.gz LUGVEPRIBLRNKE-CABCVRRESA-N 2 1 336.484 1.829 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH+]1CCOCC1 ZINC000454227279 446816089 /nfs/dbraw/zinc/81/60/89/446816089.db2.gz LWSRXJDHPSIBGT-YESZJQIVSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH+]1CCOCC1 ZINC000454227279 446816095 /nfs/dbraw/zinc/81/60/95/446816095.db2.gz LWSRXJDHPSIBGT-YESZJQIVSA-N 2 1 338.496 1.079 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)[nH+]c1 ZINC000368386249 446828990 /nfs/dbraw/zinc/82/89/90/446828990.db2.gz VMFCMIPNTOLNOB-SJORKVTESA-N 2 1 328.460 1.817 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424140042 446859524 /nfs/dbraw/zinc/85/95/24/446859524.db2.gz AWVURSUHGMVUBU-RBSFLKMASA-N 2 1 334.468 1.053 20 0 EDADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)C1 ZINC000368440306 446864882 /nfs/dbraw/zinc/86/48/82/446864882.db2.gz BWKMUOOUUCJVJO-JCHJZTRSSA-N 2 1 337.508 1.724 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@H](C)C1 ZINC000424459839 446878574 /nfs/dbraw/zinc/87/85/74/446878574.db2.gz HPGPKMQPGCORJX-WCXIOVBPSA-N 2 1 340.512 1.693 20 0 EDADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000424462014 446878694 /nfs/dbraw/zinc/87/86/94/446878694.db2.gz LXMIUTKTCYTXGD-KZNAEPCWSA-N 2 1 346.475 1.322 20 0 EDADMP COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420961227 446933443 /nfs/dbraw/zinc/93/34/43/446933443.db2.gz ITYAWNQRHPCCDY-RBUKOAKNSA-N 2 1 334.460 1.755 20 0 EDADMP COC[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420961227 446933447 /nfs/dbraw/zinc/93/34/47/446933447.db2.gz ITYAWNQRHPCCDY-RBUKOAKNSA-N 2 1 334.460 1.755 20 0 EDADMP O[C@H]1C[C@@H](C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000420962628 446933689 /nfs/dbraw/zinc/93/36/89/446933689.db2.gz KSAHQLOGAZHYLV-AQNXPRMDSA-N 2 1 329.488 1.649 20 0 EDADMP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000442772547 446963857 /nfs/dbraw/zinc/96/38/57/446963857.db2.gz AZSIFMKQUTXFQX-HZPDHXFCSA-N 2 1 333.476 1.974 20 0 EDADMP CC(C)c1ccc(OCCNC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000442772547 446963862 /nfs/dbraw/zinc/96/38/62/446963862.db2.gz AZSIFMKQUTXFQX-HZPDHXFCSA-N 2 1 333.476 1.974 20 0 EDADMP CN(CC(=O)Nc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375746121 447018589 /nfs/dbraw/zinc/01/85/89/447018589.db2.gz WYPRUVRWYNYGAQ-XYPWUTKMSA-N 2 1 345.443 1.953 20 0 EDADMP C[N@H+]1CC[C@H](Nc2ccc3c(c2)CN(CC(N)=O)CC3)[C@@H]2CCC[C@H]21 ZINC000368608366 446978001 /nfs/dbraw/zinc/97/80/01/446978001.db2.gz NYBRLJMVAONSEP-GBESFXJTSA-N 2 1 342.487 1.815 20 0 EDADMP C[N@@H+]1CC[C@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)[C@@H]2CCC[C@H]21 ZINC000368608366 446978007 /nfs/dbraw/zinc/97/80/07/446978007.db2.gz NYBRLJMVAONSEP-GBESFXJTSA-N 2 1 342.487 1.815 20 0 EDADMP C[N@H+]1CC[C@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)[C@@H]2CCC[C@H]21 ZINC000368608366 446978013 /nfs/dbraw/zinc/97/80/13/446978013.db2.gz NYBRLJMVAONSEP-GBESFXJTSA-N 2 1 342.487 1.815 20 0 EDADMP C[NH+]1CC[C@H](Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)[C@@H]2CCC[C@H]21 ZINC000368608366 446978020 /nfs/dbraw/zinc/97/80/20/446978020.db2.gz NYBRLJMVAONSEP-GBESFXJTSA-N 2 1 342.487 1.815 20 0 EDADMP C[NH+]1CC[C@H](Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)[C@@H]2CCC[C@H]21 ZINC000368608366 446978029 /nfs/dbraw/zinc/97/80/29/446978029.db2.gz NYBRLJMVAONSEP-GBESFXJTSA-N 2 1 342.487 1.815 20 0 EDADMP Cc1nc(CNC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c2n1CCCC2 ZINC000371982647 446980214 /nfs/dbraw/zinc/98/02/14/446980214.db2.gz CBPJPWWDTNKAQG-ZIAGYGMSSA-N 2 1 349.479 1.124 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1OCC(N)=O ZINC000368615254 446981924 /nfs/dbraw/zinc/98/19/24/446981924.db2.gz POCQTFIFMLFDHG-XHSDSOJGSA-N 2 1 347.459 1.522 20 0 EDADMP C[C@H](C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000372099441 447000547 /nfs/dbraw/zinc/00/05/47/447000547.db2.gz UVYDISXFPHYMQE-UHOSZYNNSA-N 2 1 344.503 1.561 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CCC[NH2+]CC3)CC2)cs1 ZINC000368704523 447053745 /nfs/dbraw/zinc/05/37/45/447053745.db2.gz RGQRZKAQRKZNNT-HNNXBMFYSA-N 2 1 336.505 1.922 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC)C1)CC(C)C ZINC000421232052 447075534 /nfs/dbraw/zinc/07/55/34/447075534.db2.gz KXBAOEIAIXVKEO-HZPDHXFCSA-N 2 1 340.512 1.070 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425439027 447163366 /nfs/dbraw/zinc/16/33/66/447163366.db2.gz BSMOBVBYVCLCKD-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3)C2)CC1 ZINC000375892492 447127251 /nfs/dbraw/zinc/12/72/51/447127251.db2.gz VHWKIKUYRCFGNP-RTBURBONSA-N 2 1 347.503 1.527 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1COc2cccc(Cl)c21 ZINC000377437471 447133213 /nfs/dbraw/zinc/13/32/13/447133213.db2.gz CYBPBZKLOBWKTL-ZDUSSCGKSA-N 2 1 338.839 1.610 20 0 EDADMP CO[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1)C1CC1 ZINC000425475440 447182677 /nfs/dbraw/zinc/18/26/77/447182677.db2.gz JFDGBUJPWALYAE-MJGOQNOKSA-N 2 1 337.508 1.678 20 0 EDADMP CO[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1)C1CC1 ZINC000425475440 447182681 /nfs/dbraw/zinc/18/26/81/447182681.db2.gz JFDGBUJPWALYAE-MJGOQNOKSA-N 2 1 337.508 1.678 20 0 EDADMP CO[C@@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1)C1CC1 ZINC000425475440 447182685 /nfs/dbraw/zinc/18/26/85/447182685.db2.gz JFDGBUJPWALYAE-MJGOQNOKSA-N 2 1 337.508 1.678 20 0 EDADMP CO[C@@H](C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1)C1CC1 ZINC000425475440 447182689 /nfs/dbraw/zinc/18/26/89/447182689.db2.gz JFDGBUJPWALYAE-MJGOQNOKSA-N 2 1 337.508 1.678 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000369046799 447286621 /nfs/dbraw/zinc/28/66/21/447286621.db2.gz ITDBDANJKBFKQZ-BFYDXBDKSA-N 2 1 338.496 1.269 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000419584472 447280499 /nfs/dbraw/zinc/28/04/99/447280499.db2.gz KVCIZWJSMHKVCT-PBHICJAKSA-N 2 1 346.475 1.313 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c2C1 ZINC000415465930 447456656 /nfs/dbraw/zinc/45/66/56/447456656.db2.gz SXVYJWISJKMSFR-OAHLLOKOSA-N 2 1 332.448 1.450 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c2C1 ZINC000415465930 447456660 /nfs/dbraw/zinc/45/66/60/447456660.db2.gz SXVYJWISJKMSFR-OAHLLOKOSA-N 2 1 332.448 1.450 20 0 EDADMP CC1(C)CCC[N@@H+](CCNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000458841741 447488100 /nfs/dbraw/zinc/48/81/00/447488100.db2.gz LAZYFWNWEFSZRR-UHFFFAOYSA-N 2 1 326.485 1.130 20 0 EDADMP CC1(C)CCC[NH+](CCNC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000458841741 447488106 /nfs/dbraw/zinc/48/81/06/447488106.db2.gz LAZYFWNWEFSZRR-UHFFFAOYSA-N 2 1 326.485 1.130 20 0 EDADMP CC1(C)CCC[NH+](CCNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000458841741 447488112 /nfs/dbraw/zinc/48/81/12/447488112.db2.gz LAZYFWNWEFSZRR-UHFFFAOYSA-N 2 1 326.485 1.130 20 0 EDADMP COC1(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000389885369 447488793 /nfs/dbraw/zinc/48/87/93/447488793.db2.gz RAPXKNDMJDPCBP-WBVHZDCISA-N 2 1 331.460 1.392 20 0 EDADMP COCCOC[C@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000450494692 447506447 /nfs/dbraw/zinc/50/64/47/447506447.db2.gz OBTXQWWWXVBRFD-PKOBYXMFSA-N 2 1 342.524 1.987 20 0 EDADMP CC(C)[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000393083966 447529443 /nfs/dbraw/zinc/52/94/43/447529443.db2.gz IIIZBCHHSYRCIX-RTBURBONSA-N 2 1 346.519 1.855 20 0 EDADMP COCCCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000397965359 447553702 /nfs/dbraw/zinc/55/37/02/447553702.db2.gz GQDFXJUOTCKEGQ-AEFFLSMTSA-N 2 1 333.476 1.639 20 0 EDADMP COCCCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000397965359 447553707 /nfs/dbraw/zinc/55/37/07/447553707.db2.gz GQDFXJUOTCKEGQ-AEFFLSMTSA-N 2 1 333.476 1.639 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C[C@@H]1C ZINC000420127918 447620847 /nfs/dbraw/zinc/62/08/47/447620847.db2.gz PBFAWFRGUYDZOY-KKUMJFAQSA-N 2 1 346.475 1.264 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C[C@@H]1C ZINC000420127918 447620854 /nfs/dbraw/zinc/62/08/54/447620854.db2.gz PBFAWFRGUYDZOY-KKUMJFAQSA-N 2 1 346.475 1.264 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000422537069 447624841 /nfs/dbraw/zinc/62/48/41/447624841.db2.gz DVRQTYUQFBVVTO-MRXNPFEDSA-N 2 1 340.512 1.023 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000416870602 447700099 /nfs/dbraw/zinc/70/00/99/447700099.db2.gz OGXFAYBFXPSUNR-HOTGVXAUSA-N 2 1 326.485 1.114 20 0 EDADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000451081259 447672753 /nfs/dbraw/zinc/67/27/53/447672753.db2.gz DDZMWSGATUHDFE-FUHWJXTLSA-N 2 1 337.508 1.699 20 0 EDADMP CC(C)c1ccc([C@H]([NH3+])CNc2cc(NC[C@@H](C)O)[nH+]cn2)cc1 ZINC000420217048 447673787 /nfs/dbraw/zinc/67/37/87/447673787.db2.gz MITQWRVWOBAYQT-CZUORRHYSA-N 2 1 329.448 2.505 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CCNS(=O)(=O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000422636607 447682832 /nfs/dbraw/zinc/68/28/32/447682832.db2.gz NFJAWQONBVJEDF-ILXRZTDVSA-N 2 1 325.478 1.270 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CCNS(=O)(=O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000422636607 447682835 /nfs/dbraw/zinc/68/28/35/447682835.db2.gz NFJAWQONBVJEDF-ILXRZTDVSA-N 2 1 325.478 1.270 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)[NH+](C)C)cc1 ZINC000458049184 447708491 /nfs/dbraw/zinc/70/84/91/447708491.db2.gz PVTMPYJFZUQSFO-SJLPKXTDSA-N 2 1 348.491 1.306 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](CCO)C[C@H]2C)[NH+](C)C)cc1 ZINC000458049184 447708497 /nfs/dbraw/zinc/70/84/97/447708497.db2.gz PVTMPYJFZUQSFO-SJLPKXTDSA-N 2 1 348.491 1.306 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000416925766 447711258 /nfs/dbraw/zinc/71/12/58/447711258.db2.gz SVTCDEMKVQGIGU-FPCVCCKLSA-N 2 1 340.512 1.643 20 0 EDADMP CC(C)C[C@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000416942870 447719092 /nfs/dbraw/zinc/71/90/92/447719092.db2.gz SNFRQXXYGLQFLO-IAGOWNOFSA-N 2 1 340.512 1.565 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000416955506 447726638 /nfs/dbraw/zinc/72/66/38/447726638.db2.gz VQYZSCAUZSCVDL-XUWVNRHRSA-N 2 1 326.485 1.302 20 0 EDADMP CC(C)(CNC(=O)N1CC[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417088374 447733599 /nfs/dbraw/zinc/73/35/99/447733599.db2.gz KHFGOTREZSSYKK-HNNXBMFYSA-N 2 1 330.476 1.814 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC(C)(C)C[NH3+])c2)CCO1 ZINC000417267607 447740324 /nfs/dbraw/zinc/74/03/24/447740324.db2.gz HMEUZDUXXKRLGM-CQSZACIVSA-N 2 1 334.464 1.444 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC(C)(C)C[NH3+])c2)CCO1 ZINC000417267607 447740326 /nfs/dbraw/zinc/74/03/26/447740326.db2.gz HMEUZDUXXKRLGM-CQSZACIVSA-N 2 1 334.464 1.444 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000496192619 447740613 /nfs/dbraw/zinc/74/06/13/447740613.db2.gz FURGUEONGDSXMH-IIAWOOMASA-N 2 1 341.496 1.819 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000496192619 447740616 /nfs/dbraw/zinc/74/06/16/447740616.db2.gz FURGUEONGDSXMH-IIAWOOMASA-N 2 1 341.496 1.819 20 0 EDADMP CC[C@@H](CSC)[N@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496286569 447752676 /nfs/dbraw/zinc/75/26/76/447752676.db2.gz WCOVGUSLKMJGGA-HOCLYGCPSA-N 2 1 327.494 1.934 20 0 EDADMP CC[C@@H](CSC)[N@@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496286569 447752677 /nfs/dbraw/zinc/75/26/77/447752677.db2.gz WCOVGUSLKMJGGA-HOCLYGCPSA-N 2 1 327.494 1.934 20 0 EDADMP COC[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000452087896 447814519 /nfs/dbraw/zinc/81/45/19/447814519.db2.gz PRNFFVBKIWEBEF-MRXNPFEDSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H](CN1CCN(C)CC1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422860203 447769313 /nfs/dbraw/zinc/76/93/13/447769313.db2.gz MAUOMMOJEUJRFQ-IMFGXOCKSA-N 2 1 344.503 1.468 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000422933934 447776119 /nfs/dbraw/zinc/77/61/19/447776119.db2.gz IWUDJOOEDAKNHQ-TZMCWYRMSA-N 2 1 345.534 1.996 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000430554917 447777503 /nfs/dbraw/zinc/77/75/03/447777503.db2.gz WKKLOINMALAYEN-HZPDHXFCSA-N 2 1 348.466 1.534 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000430554917 447777508 /nfs/dbraw/zinc/77/75/08/447777508.db2.gz WKKLOINMALAYEN-HZPDHXFCSA-N 2 1 348.466 1.534 20 0 EDADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423032142 447794556 /nfs/dbraw/zinc/79/45/56/447794556.db2.gz VTZJETFVMPVJCM-ROUUACIJSA-N 3 1 332.492 1.007 20 0 EDADMP C[C@@H](CNC(=O)NCCOCC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000471633272 447805226 /nfs/dbraw/zinc/80/52/26/447805226.db2.gz APVWBVNNCIRPAG-INIZCTEOSA-N 2 1 348.491 1.311 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471649855 447807368 /nfs/dbraw/zinc/80/73/68/447807368.db2.gz QXLHCPWVBVJMPR-HNNXBMFYSA-N 2 1 328.501 1.374 20 0 EDADMP CCOC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000496627965 447836528 /nfs/dbraw/zinc/83/65/28/447836528.db2.gz TVGFOLBBSNEZDY-IKGGRYGDSA-N 2 1 335.448 1.128 20 0 EDADMP CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000496627965 447836530 /nfs/dbraw/zinc/83/65/30/447836530.db2.gz TVGFOLBBSNEZDY-IKGGRYGDSA-N 2 1 335.448 1.128 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000487946699 447838663 /nfs/dbraw/zinc/83/86/63/447838663.db2.gz BWIOHRQECCAWPM-WBTNSWJXSA-N 2 1 333.480 1.117 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000487946699 447838664 /nfs/dbraw/zinc/83/86/64/447838664.db2.gz BWIOHRQECCAWPM-WBTNSWJXSA-N 2 1 333.480 1.117 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000487946699 447838665 /nfs/dbraw/zinc/83/86/65/447838665.db2.gz BWIOHRQECCAWPM-WBTNSWJXSA-N 2 1 333.480 1.117 20 0 EDADMP C[C@@H](C[NH2+]Cc1c(Br)cnn1C)CN1CC[NH+](C)CC1 ZINC000487327344 447829471 /nfs/dbraw/zinc/82/94/71/447829471.db2.gz YZFBPWSNYSBIQY-LBPRGKRZSA-N 2 1 344.301 1.156 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000497201268 447952083 /nfs/dbraw/zinc/95/20/83/447952083.db2.gz GOSMKWOLVQIADD-JYJNAYRXSA-N 2 1 341.496 1.630 20 0 EDADMP CN(C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000497201268 447952089 /nfs/dbraw/zinc/95/20/89/447952089.db2.gz GOSMKWOLVQIADD-JYJNAYRXSA-N 2 1 341.496 1.630 20 0 EDADMP CN(C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000497201268 447952095 /nfs/dbraw/zinc/95/20/95/447952095.db2.gz GOSMKWOLVQIADD-JYJNAYRXSA-N 2 1 341.496 1.630 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000552034777 447929825 /nfs/dbraw/zinc/92/98/25/447929825.db2.gz XLMBTFFKMBCWRH-ULQDDVLXSA-N 2 1 337.489 1.427 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000553223257 447978670 /nfs/dbraw/zinc/97/86/70/447978670.db2.gz YHBDYIYCRQHWJH-SFHVURJKSA-N 2 1 345.487 1.601 20 0 EDADMP CC1(C)CC[NH+](CC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000553223257 447978677 /nfs/dbraw/zinc/97/86/77/447978677.db2.gz YHBDYIYCRQHWJH-SFHVURJKSA-N 2 1 345.487 1.601 20 0 EDADMP CC1(C)CC[NH+](CC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000553223257 447978681 /nfs/dbraw/zinc/97/86/81/447978681.db2.gz YHBDYIYCRQHWJH-SFHVURJKSA-N 2 1 345.487 1.601 20 0 EDADMP CC(=O)N1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525463701 448000665 /nfs/dbraw/zinc/00/06/65/448000665.db2.gz VCTBZPBBEYJJGM-IBGZPJMESA-N 2 1 331.460 1.224 20 0 EDADMP CC(=O)N1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000525463701 448000671 /nfs/dbraw/zinc/00/06/71/448000671.db2.gz VCTBZPBBEYJJGM-IBGZPJMESA-N 2 1 331.460 1.224 20 0 EDADMP C[N@@H+](CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000497250214 448005346 /nfs/dbraw/zinc/00/53/46/448005346.db2.gz BUKMCYXZDAUGDV-UHFFFAOYSA-N 2 1 341.500 1.890 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000531058652 448010637 /nfs/dbraw/zinc/01/06/37/448010637.db2.gz STJCXFUFVGFZMZ-AYBZRNKSSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000531058652 448010642 /nfs/dbraw/zinc/01/06/42/448010642.db2.gz STJCXFUFVGFZMZ-AYBZRNKSSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000531058652 448010644 /nfs/dbraw/zinc/01/06/44/448010644.db2.gz STJCXFUFVGFZMZ-AYBZRNKSSA-N 2 1 331.460 1.222 20 0 EDADMP CN(C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000530819343 447965829 /nfs/dbraw/zinc/96/58/29/447965829.db2.gz SYZWNLUAVIZPKI-QUCCMNQESA-N 2 1 343.471 1.319 20 0 EDADMP CN(C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000530819343 447965836 /nfs/dbraw/zinc/96/58/36/447965836.db2.gz SYZWNLUAVIZPKI-QUCCMNQESA-N 2 1 343.471 1.319 20 0 EDADMP CN(C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000530819343 447965842 /nfs/dbraw/zinc/96/58/42/447965842.db2.gz SYZWNLUAVIZPKI-QUCCMNQESA-N 2 1 343.471 1.319 20 0 EDADMP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000576465650 448061497 /nfs/dbraw/zinc/06/14/97/448061497.db2.gz HXVKNQHQURHQEI-MSOLQXFVSA-N 2 1 330.476 1.942 20 0 EDADMP C[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)[N@H+]1CCCC[C@H]1C ZINC000570634974 448039702 /nfs/dbraw/zinc/03/97/02/448039702.db2.gz QOFXRPKROXWOGD-QLFBSQMISA-N 2 1 334.468 1.023 20 0 EDADMP CC[NH+]1CCC(CNC(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000576601158 448095497 /nfs/dbraw/zinc/09/54/97/448095497.db2.gz ZCUNFKQRFNUELP-UHFFFAOYSA-N 2 1 333.480 2.223 20 0 EDADMP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000571153669 448111353 /nfs/dbraw/zinc/11/13/53/448111353.db2.gz OHVWNVXADGSNKU-PKOBYXMFSA-N 2 1 335.492 1.356 20 0 EDADMP C[NH+](C)C/C=C\C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000491882281 448142886 /nfs/dbraw/zinc/14/28/86/448142886.db2.gz INHVDEKNHKQDQW-IJVDHGTGSA-N 2 1 336.505 1.271 20 0 EDADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CC[N@@H+](C)C3)nc2)CC1 ZINC000531913241 448171365 /nfs/dbraw/zinc/17/13/65/448171365.db2.gz MLFGWMUXOYDOQR-CQSZACIVSA-N 2 1 331.464 1.502 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000571547372 448171474 /nfs/dbraw/zinc/17/14/74/448171474.db2.gz JILXWZUBQUVVMF-OAHLLOKOSA-N 2 1 334.468 1.708 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCOCC1 ZINC000557115921 448182269 /nfs/dbraw/zinc/18/22/69/448182269.db2.gz AXEAPZHIRDMACL-KBPBESRZSA-N 2 1 348.438 1.030 20 0 EDADMP COc1cc2[nH+]c(NC[C@@H]3CC[N@@H+](C4CC4)C3)nc(N)c2cc1OC ZINC000558080611 448190713 /nfs/dbraw/zinc/19/07/13/448190713.db2.gz VZNFFXZDPOLBKD-NSHDSACASA-N 2 1 343.431 1.547 20 0 EDADMP COc1cc2[nH+]c(NC[C@@H]3CC[N@H+](C4CC4)C3)nc(N)c2cc1OC ZINC000558080611 448190719 /nfs/dbraw/zinc/19/07/19/448190719.db2.gz VZNFFXZDPOLBKD-NSHDSACASA-N 2 1 343.431 1.547 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N(C)CCC[NH3+])c2)CCO1 ZINC000514590543 448166668 /nfs/dbraw/zinc/16/66/68/448166668.db2.gz YTYLGCIYELBPRM-HNNXBMFYSA-N 2 1 334.464 1.398 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N(C)CCC[NH3+])c2)CCO1 ZINC000514590543 448166671 /nfs/dbraw/zinc/16/66/71/448166671.db2.gz YTYLGCIYELBPRM-HNNXBMFYSA-N 2 1 334.464 1.398 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000577195798 448233709 /nfs/dbraw/zinc/23/37/09/448233709.db2.gz IORGMTORRBNPJH-HNNXBMFYSA-N 2 1 348.495 2.098 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000577120860 448214473 /nfs/dbraw/zinc/21/44/73/448214473.db2.gz CGNSRJJEOREFSU-QGZVFWFLSA-N 2 1 345.491 1.052 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000532210072 448215690 /nfs/dbraw/zinc/21/56/90/448215690.db2.gz OCKFBOLZWJZHMY-MDZRGWNJSA-N 2 1 345.487 1.977 20 0 EDADMP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 ZINC000571882591 448226044 /nfs/dbraw/zinc/22/60/44/448226044.db2.gz LRKTUQWKOSKUCC-CHWSQXEVSA-N 2 1 341.463 1.740 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000515809218 448352199 /nfs/dbraw/zinc/35/21/99/448352199.db2.gz PDOSFFKZQOAZNA-ZWKOTPCHSA-N 2 1 330.476 1.950 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000591409572 448353924 /nfs/dbraw/zinc/35/39/24/448353924.db2.gz UCDMTKWMGFITPQ-BPQIPLTHSA-N 2 1 346.475 1.452 20 0 EDADMP C[C@@H]([NH3+])c1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000566157014 448397570 /nfs/dbraw/zinc/39/75/70/448397570.db2.gz BNEFOUYBENYOIZ-CJNGLKHVSA-N 2 1 332.448 1.024 20 0 EDADMP C[N@@H+](C[C@H](O)CNCc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000583079192 448418139 /nfs/dbraw/zinc/41/81/39/448418139.db2.gz LWBAOIUFQWBEFZ-HXUWFJFHSA-N 2 1 347.503 1.188 20 0 EDADMP CC(C)[NH2+]CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000578084335 448458959 /nfs/dbraw/zinc/45/89/59/448458959.db2.gz WMLDCINYOQHTSR-QGZVFWFLSA-N 2 1 346.475 1.789 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566400886 448459823 /nfs/dbraw/zinc/45/98/23/448459823.db2.gz IRVWQOJIGSEYJA-BRWVUGGUSA-N 2 1 338.496 1.128 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000516660861 448460615 /nfs/dbraw/zinc/46/06/15/448460615.db2.gz DOBIAZJRTNYUCS-UHFFFAOYSA-N 2 1 347.463 1.632 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000591717073 448469630 /nfs/dbraw/zinc/46/96/30/448469630.db2.gz GGISOUUIDRJRQZ-UHFFFAOYSA-N 2 1 346.454 1.524 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000528329930 448489118 /nfs/dbraw/zinc/48/91/18/448489118.db2.gz LVGBHHQYZMEJPN-HOTGVXAUSA-N 2 1 333.480 1.209 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000584533153 448561769 /nfs/dbraw/zinc/56/17/69/448561769.db2.gz SIYYUZFDPIGMBE-ZBFHGGJFSA-N 2 1 333.480 1.828 20 0 EDADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000584471148 448540417 /nfs/dbraw/zinc/54/04/17/448540417.db2.gz ZVZRTPIOQUMFSI-CXAGYDPISA-N 2 1 325.416 1.185 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CSCC[NH+]2Cc2ccccc2)C1 ZINC000573346175 448605254 /nfs/dbraw/zinc/60/52/54/448605254.db2.gz XRJRYWXGYUBMRY-DLBZAZTESA-N 2 1 333.501 1.672 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CSCC[NH+]2Cc2ccccc2)C1 ZINC000573346175 448605258 /nfs/dbraw/zinc/60/52/58/448605258.db2.gz XRJRYWXGYUBMRY-DLBZAZTESA-N 2 1 333.501 1.672 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000573346175 448605260 /nfs/dbraw/zinc/60/52/60/448605260.db2.gz XRJRYWXGYUBMRY-DLBZAZTESA-N 2 1 333.501 1.672 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000573346175 448605264 /nfs/dbraw/zinc/60/52/64/448605264.db2.gz XRJRYWXGYUBMRY-DLBZAZTESA-N 2 1 333.501 1.672 20 0 EDADMP COCCc1noc(CC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000528629149 448609690 /nfs/dbraw/zinc/60/96/90/448609690.db2.gz XCPHRQMJFKARSQ-MRXNPFEDSA-N 2 1 336.480 1.997 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000538374148 448583911 /nfs/dbraw/zinc/58/39/11/448583911.db2.gz BYWUQFCCUIBGRL-UHFFFAOYSA-N 2 1 338.496 1.437 20 0 EDADMP C[NH+](C)C[C@@H](O)C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000584598376 448583902 /nfs/dbraw/zinc/58/39/02/448583902.db2.gz GEVUYNFDYUWNKX-ZDUSSCGKSA-N 2 1 333.354 1.546 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000567240908 448647773 /nfs/dbraw/zinc/64/77/73/448647773.db2.gz FIMGSCHLQQQAIZ-INIZCTEOSA-N 2 1 339.528 1.030 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000567352235 448673983 /nfs/dbraw/zinc/67/39/83/448673983.db2.gz VXRFXADYISRXGG-UONOGXRCSA-N 2 1 346.475 1.504 20 0 EDADMP C[N@H+](CCNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C1CCCC1 ZINC000579090677 448711410 /nfs/dbraw/zinc/71/14/10/448711410.db2.gz HFKQNTBSZPVURS-KRWDZBQOSA-N 2 1 331.464 1.612 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C1CCCC1 ZINC000579090677 448711415 /nfs/dbraw/zinc/71/14/15/448711415.db2.gz HFKQNTBSZPVURS-KRWDZBQOSA-N 2 1 331.464 1.612 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CC3(O)CCC3)CC2)CC1 ZINC000579242821 448752234 /nfs/dbraw/zinc/75/22/34/448752234.db2.gz MBIGOTUSHYIFGI-UHFFFAOYSA-N 2 1 337.508 1.556 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+]1CCC(C)CC1 ZINC000545883141 448803002 /nfs/dbraw/zinc/80/30/02/448803002.db2.gz OXUJLUZNLNLVDH-FUHWJXTLSA-N 2 1 340.512 1.109 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+]1CCC(C)CC1 ZINC000545883140 448803497 /nfs/dbraw/zinc/80/34/97/448803497.db2.gz OXUJLUZNLNLVDH-AEFFLSMTSA-N 2 1 340.512 1.109 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000545883376 448804008 /nfs/dbraw/zinc/80/40/08/448804008.db2.gz ARSBFWOQOVQVCB-MJGOQNOKSA-N 2 1 346.475 1.189 20 0 EDADMP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000545918510 448808724 /nfs/dbraw/zinc/80/87/24/448808724.db2.gz PATQHPYFXTZAGF-DLBZAZTESA-N 2 1 347.507 1.910 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529291544 448810052 /nfs/dbraw/zinc/81/00/52/448810052.db2.gz IMUJOUUYOMHJJC-KRWDZBQOSA-N 2 1 328.460 1.629 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000529295825 448811389 /nfs/dbraw/zinc/81/13/89/448811389.db2.gz BPIHWEIRNIRASY-HNNXBMFYSA-N 2 1 336.505 1.746 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000529295825 448811393 /nfs/dbraw/zinc/81/13/93/448811393.db2.gz BPIHWEIRNIRASY-HNNXBMFYSA-N 2 1 336.505 1.746 20 0 EDADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000529295826 448812017 /nfs/dbraw/zinc/81/20/17/448812017.db2.gz BPIHWEIRNIRASY-OAHLLOKOSA-N 2 1 336.505 1.746 20 0 EDADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000529295826 448812022 /nfs/dbraw/zinc/81/20/22/448812022.db2.gz BPIHWEIRNIRASY-OAHLLOKOSA-N 2 1 336.505 1.746 20 0 EDADMP C[NH+](C)CC1(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CCC1 ZINC000545283884 448784271 /nfs/dbraw/zinc/78/42/71/448784271.db2.gz XIABPOKMRJSXOV-QGZVFWFLSA-N 2 1 330.476 1.894 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+](CCOC)C1)c1ccccc1 ZINC000592313566 448787766 /nfs/dbraw/zinc/78/77/66/448787766.db2.gz SUOQQOVJWKVYBO-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+](CCOC)C1)c1ccccc1 ZINC000592313566 448787772 /nfs/dbraw/zinc/78/77/72/448787772.db2.gz SUOQQOVJWKVYBO-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CCOC)C1)c1ccccc1 ZINC000592313566 448787776 /nfs/dbraw/zinc/78/77/76/448787776.db2.gz SUOQQOVJWKVYBO-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCOC)C1)c1ccccc1 ZINC000592313566 448787781 /nfs/dbraw/zinc/78/77/81/448787781.db2.gz SUOQQOVJWKVYBO-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP C[N@@H+](CCC(=O)NC[C@@H]1CCCC[NH+]1CCO)C1CCCCC1 ZINC000574130761 448796302 /nfs/dbraw/zinc/79/63/02/448796302.db2.gz QJWWRITWYODTCB-KRWDZBQOSA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+](CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C1CCCCC1 ZINC000574130761 448796308 /nfs/dbraw/zinc/79/63/08/448796308.db2.gz QJWWRITWYODTCB-KRWDZBQOSA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+](CCC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C1CCCCC1 ZINC000574130761 448796314 /nfs/dbraw/zinc/79/63/14/448796314.db2.gz QJWWRITWYODTCB-KRWDZBQOSA-N 2 1 325.497 1.604 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000529323059 448822956 /nfs/dbraw/zinc/82/29/56/448822956.db2.gz CBZHYXMMTBCOKF-WBVHZDCISA-N 2 1 346.475 1.457 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn3c(n2)CCC3)CC1 ZINC000579595235 448830643 /nfs/dbraw/zinc/83/06/43/448830643.db2.gz RDTCBFXNLMNFLZ-UHFFFAOYSA-N 2 1 326.404 1.228 20 0 EDADMP C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CCC[NH3+] ZINC000592473822 448851905 /nfs/dbraw/zinc/85/19/05/448851905.db2.gz PUIUZQXXZKOCRX-QLFDAEIZSA-N 2 1 336.480 1.450 20 0 EDADMP C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CCC[NH3+] ZINC000592473822 448851908 /nfs/dbraw/zinc/85/19/08/448851908.db2.gz PUIUZQXXZKOCRX-QLFDAEIZSA-N 2 1 336.480 1.450 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C(N)=O)s2)CC1 ZINC000588642181 448905780 /nfs/dbraw/zinc/90/57/80/448905780.db2.gz ZHWRUGBMYKBDKE-UHFFFAOYSA-N 2 1 345.428 1.246 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000521314952 448970482 /nfs/dbraw/zinc/97/04/82/448970482.db2.gz AFELPLRZLULOCI-FUHWJXTLSA-N 2 1 339.524 1.993 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2c(ccnc2N(C)C)c1)N1CC[NH+](C)CC1 ZINC000574723900 448940599 /nfs/dbraw/zinc/94/05/99/448940599.db2.gz MRHZIBQDZAPFTB-AWEZNQCLSA-N 2 1 341.459 1.875 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)Cn2c[nH+]c3c2CCCC3)CCCO1 ZINC000574745344 448945417 /nfs/dbraw/zinc/94/54/17/448945417.db2.gz SKKHHCSQPDPAMP-OAHLLOKOSA-N 2 1 334.464 1.379 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)Cn2c[nH+]c3c2CCCC3)CCCO1 ZINC000574745344 448945423 /nfs/dbraw/zinc/94/54/23/448945423.db2.gz SKKHHCSQPDPAMP-OAHLLOKOSA-N 2 1 334.464 1.379 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000521880798 449023916 /nfs/dbraw/zinc/02/39/16/449023916.db2.gz FXORUAQCCCIIPQ-MRXNPFEDSA-N 2 1 332.492 1.854 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000574916026 448990239 /nfs/dbraw/zinc/99/02/39/448990239.db2.gz UQJGJWYGMKCUPG-CGTJXYLNSA-N 2 1 330.476 1.927 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](C)C1 ZINC000548419824 449038938 /nfs/dbraw/zinc/03/89/38/449038938.db2.gz VCXDKGSKMAPKCK-XLAORIBOSA-N 2 1 339.524 1.970 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](C)C1 ZINC000548419824 449038939 /nfs/dbraw/zinc/03/89/39/449038939.db2.gz VCXDKGSKMAPKCK-XLAORIBOSA-N 2 1 339.524 1.970 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](C)C1 ZINC000548419824 449038942 /nfs/dbraw/zinc/03/89/42/449038942.db2.gz VCXDKGSKMAPKCK-XLAORIBOSA-N 2 1 339.524 1.970 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)CC1 ZINC000569589662 449051927 /nfs/dbraw/zinc/05/19/27/449051927.db2.gz PNSDOHOCMFVKMS-DLBZAZTESA-N 2 1 330.476 1.732 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)N2CC[C@@H](c3cc(C)ccn3)C2)CC1 ZINC000569589662 449051928 /nfs/dbraw/zinc/05/19/28/449051928.db2.gz PNSDOHOCMFVKMS-DLBZAZTESA-N 2 1 330.476 1.732 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C[C@@H]1C ZINC000592963745 449086496 /nfs/dbraw/zinc/08/64/96/449086496.db2.gz BPKHGYCWYYEPEJ-ZNMIVQPWSA-N 2 1 333.480 1.664 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C[C@H]1C ZINC000592963736 449086799 /nfs/dbraw/zinc/08/67/99/449086799.db2.gz BPKHGYCWYYEPEJ-ILXRZTDVSA-N 2 1 333.480 1.664 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900832 449241577 /nfs/dbraw/zinc/24/15/77/449241577.db2.gz MVIFYSJWOUPKIM-HOCLYGCPSA-N 2 1 338.496 1.568 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000590739313 449263815 /nfs/dbraw/zinc/26/38/15/449263815.db2.gz OIRDXSYSSQYTSP-SFHVURJKSA-N 2 1 330.476 1.848 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1C ZINC000593314838 449223011 /nfs/dbraw/zinc/22/30/11/449223011.db2.gz AWQHLAJSKITMKC-UHFFFAOYSA-N 2 1 348.422 1.951 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000590786573 449295040 /nfs/dbraw/zinc/29/50/40/449295040.db2.gz GJMYZQGPOPKDTI-HOTGVXAUSA-N 2 1 325.497 1.674 20 0 EDADMP [NH3+]C[C@H]1CCCn2ncc(C(=O)NC[C@H]3CCC[N@@H+](CC4CC4)C3)c21 ZINC000595991760 449300694 /nfs/dbraw/zinc/30/06/94/449300694.db2.gz JYTYSPPTPVLTSY-HZPDHXFCSA-N 2 1 345.491 1.571 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@H]1C ZINC000595955062 449279853 /nfs/dbraw/zinc/27/98/53/449279853.db2.gz DNKMHXHPGPEDQA-RHSMWYFYSA-N 2 1 345.443 1.317 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@H]1C ZINC000595955062 449279858 /nfs/dbraw/zinc/27/98/58/449279858.db2.gz DNKMHXHPGPEDQA-RHSMWYFYSA-N 2 1 345.443 1.317 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CCN2C1=O ZINC000594736438 449655979 /nfs/dbraw/zinc/65/59/79/449655979.db2.gz IHKHNGWFCLCMJA-CABCVRRESA-N 2 1 345.834 1.474 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CCN2C1=O ZINC000594736438 449655986 /nfs/dbraw/zinc/65/59/86/449655986.db2.gz IHKHNGWFCLCMJA-CABCVRRESA-N 2 1 345.834 1.474 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000614506815 449657277 /nfs/dbraw/zinc/65/72/77/449657277.db2.gz IYEVXASGZMLGGB-WMZOPIPTSA-N 2 1 334.508 1.147 20 0 EDADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000614506815 449657281 /nfs/dbraw/zinc/65/72/81/449657281.db2.gz IYEVXASGZMLGGB-WMZOPIPTSA-N 2 1 334.508 1.147 20 0 EDADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000614506815 449657284 /nfs/dbraw/zinc/65/72/84/449657284.db2.gz IYEVXASGZMLGGB-WMZOPIPTSA-N 2 1 334.508 1.147 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000614506814 449657426 /nfs/dbraw/zinc/65/74/26/449657426.db2.gz IYEVXASGZMLGGB-SJLPKXTDSA-N 2 1 334.508 1.147 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000614506814 449657431 /nfs/dbraw/zinc/65/74/31/449657431.db2.gz IYEVXASGZMLGGB-SJLPKXTDSA-N 2 1 334.508 1.147 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000614506814 449657438 /nfs/dbraw/zinc/65/74/38/449657438.db2.gz IYEVXASGZMLGGB-SJLPKXTDSA-N 2 1 334.508 1.147 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCc2cccc(O)c21 ZINC000617508187 449659976 /nfs/dbraw/zinc/65/99/76/449659976.db2.gz WPFUIOPMMNIBRS-GOEBONIOSA-N 2 1 333.476 1.810 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCc2cccc(O)c21 ZINC000617508187 449659980 /nfs/dbraw/zinc/65/99/80/449659980.db2.gz WPFUIOPMMNIBRS-GOEBONIOSA-N 2 1 333.476 1.810 20 0 EDADMP COC(=O)c1cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)[nH]c1C ZINC000602544474 449665006 /nfs/dbraw/zinc/66/50/06/449665006.db2.gz JRHUMRUKDQCOLN-UHFFFAOYSA-N 2 1 336.480 1.473 20 0 EDADMP COCc1csc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000617502627 449647106 /nfs/dbraw/zinc/64/71/06/449647106.db2.gz WQKADMWEWKOKER-ZDUSSCGKSA-N 2 1 327.494 1.896 20 0 EDADMP COCc1csc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617502627 449647113 /nfs/dbraw/zinc/64/71/13/449647113.db2.gz WQKADMWEWKOKER-ZDUSSCGKSA-N 2 1 327.494 1.896 20 0 EDADMP CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617505019 449648967 /nfs/dbraw/zinc/64/89/67/449648967.db2.gz TZTOFEXGRXOLTC-JKSUJKDBSA-N 2 1 340.512 1.166 20 0 EDADMP CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617505019 449648971 /nfs/dbraw/zinc/64/89/71/449648971.db2.gz TZTOFEXGRXOLTC-JKSUJKDBSA-N 2 1 340.512 1.166 20 0 EDADMP C[C@@H]1CN(CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)CO1 ZINC000617720311 449770366 /nfs/dbraw/zinc/77/03/66/449770366.db2.gz AWGYBBXNVXGZQM-UONOGXRCSA-N 2 1 329.404 1.106 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000608356997 449817269 /nfs/dbraw/zinc/81/72/69/449817269.db2.gz ZROUPESTEAXCKU-KRWDZBQOSA-N 2 1 330.476 1.653 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000594954219 449818914 /nfs/dbraw/zinc/81/89/14/449818914.db2.gz RTRPOXKRZFQYAZ-SJORKVTESA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000594954219 449818919 /nfs/dbraw/zinc/81/89/19/449818919.db2.gz RTRPOXKRZFQYAZ-SJORKVTESA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000594954219 449818927 /nfs/dbraw/zinc/81/89/27/449818927.db2.gz RTRPOXKRZFQYAZ-SJORKVTESA-N 2 1 338.496 1.127 20 0 EDADMP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000601325269 449833165 /nfs/dbraw/zinc/83/31/65/449833165.db2.gz BTGDAFUWGFMXON-CQSZACIVSA-N 2 1 349.822 1.624 20 0 EDADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000601325269 449833171 /nfs/dbraw/zinc/83/31/71/449833171.db2.gz BTGDAFUWGFMXON-CQSZACIVSA-N 2 1 349.822 1.624 20 0 EDADMP C[N@@H+](CC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C1CCC1 ZINC000608500762 449860874 /nfs/dbraw/zinc/86/08/74/449860874.db2.gz CMZVPCGOYUNURM-UHFFFAOYSA-N 2 1 344.503 1.799 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CN3CC[NH+](C)CC3)C2)CC1 ZINC000599321858 449891022 /nfs/dbraw/zinc/89/10/22/449891022.db2.gz VSPWJTXFJTXEPT-SFHVURJKSA-N 2 1 336.524 1.204 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC([N@H+]3CCOC[C@H]3C)CC1)C2 ZINC000615086454 449945768 /nfs/dbraw/zinc/94/57/68/449945768.db2.gz FKMICIOVXMREMD-GDBMZVCRSA-N 2 1 346.475 1.466 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC([N@@H+]3CCOC[C@H]3C)CC1)C2 ZINC000615086454 449945771 /nfs/dbraw/zinc/94/57/71/449945771.db2.gz FKMICIOVXMREMD-GDBMZVCRSA-N 2 1 346.475 1.466 20 0 EDADMP Cc1nnc2n1C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000609260081 449990204 /nfs/dbraw/zinc/99/02/04/449990204.db2.gz INKRDMBDFZXNAP-QZTJIDSGSA-N 2 1 343.475 1.231 20 0 EDADMP Cc1nnc2n1C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC000609260081 449990207 /nfs/dbraw/zinc/99/02/07/449990207.db2.gz INKRDMBDFZXNAP-QZTJIDSGSA-N 2 1 343.475 1.231 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613523731 450212397 /nfs/dbraw/zinc/21/23/97/450212397.db2.gz YPOBUNBXKWAVFB-IEBWSBKVSA-N 2 1 331.460 1.049 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613662610 450263443 /nfs/dbraw/zinc/26/34/43/450263443.db2.gz CAZURKGWFMKEAB-ZIAGYGMSSA-N 2 1 330.436 1.435 20 0 EDADMP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000618825959 450314442 /nfs/dbraw/zinc/31/44/42/450314442.db2.gz IXJIARIZMAVMTH-GOSISDBHSA-N 2 1 330.476 1.258 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000625460299 450374096 /nfs/dbraw/zinc/37/40/96/450374096.db2.gz JYABDXOUUIITCV-RBUKOAKNSA-N 2 1 345.487 1.513 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000625460299 450374100 /nfs/dbraw/zinc/37/41/00/450374100.db2.gz JYABDXOUUIITCV-RBUKOAKNSA-N 2 1 345.487 1.513 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620478871 450498400 /nfs/dbraw/zinc/49/84/00/450498400.db2.gz JISYPHKMMWZYKD-MOPGFXCFSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC000623512265 450535379 /nfs/dbraw/zinc/53/53/79/450535379.db2.gz MWJUWFYYEUBXRX-CALCHBBNSA-N 2 1 332.492 1.376 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC000623512265 450535382 /nfs/dbraw/zinc/53/53/82/450535382.db2.gz MWJUWFYYEUBXRX-CALCHBBNSA-N 2 1 332.492 1.376 20 0 EDADMP C[C@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@H]1C[N@H+](C)CCO1 ZINC000625942693 450539456 /nfs/dbraw/zinc/53/94/56/450539456.db2.gz VHMMFIVKYUGARV-BLLLJJGKSA-N 2 1 334.420 1.009 20 0 EDADMP C[C@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@H]1C[N@@H+](C)CCO1 ZINC000625942693 450539457 /nfs/dbraw/zinc/53/94/57/450539457.db2.gz VHMMFIVKYUGARV-BLLLJJGKSA-N 2 1 334.420 1.009 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CCSC1 ZINC000623708266 450569028 /nfs/dbraw/zinc/56/90/28/450569028.db2.gz BIEATFGDUQCPBO-DOTOQJQBSA-N 2 1 340.537 1.740 20 0 EDADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3nc(N)nc(N)[nH+]3)cc2)C1 ZINC000623864463 450619032 /nfs/dbraw/zinc/61/90/32/450619032.db2.gz PHXUILKPWUZTGL-STQMWFEESA-N 2 1 341.463 1.209 20 0 EDADMP Fc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)co1 ZINC000629537183 450727317 /nfs/dbraw/zinc/72/73/17/450727317.db2.gz MSKRTNSWYCKFKH-OAHLLOKOSA-N 2 1 330.407 1.960 20 0 EDADMP Fc1ccccc1-c1nc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)co1 ZINC000629537183 450727325 /nfs/dbraw/zinc/72/73/25/450727325.db2.gz MSKRTNSWYCKFKH-OAHLLOKOSA-N 2 1 330.407 1.960 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2cccnc2)CC[C@H]1C(F)(F)F ZINC000629559792 450736086 /nfs/dbraw/zinc/73/60/86/450736086.db2.gz BWJUCXJSJIYVOC-WCQYABFASA-N 2 1 330.354 1.869 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cccnc2)CC[C@H]1C(F)(F)F ZINC000629559792 450736090 /nfs/dbraw/zinc/73/60/90/450736090.db2.gz BWJUCXJSJIYVOC-WCQYABFASA-N 2 1 330.354 1.869 20 0 EDADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624187389 450739402 /nfs/dbraw/zinc/73/94/02/450739402.db2.gz WVKWCXOOIBWENI-YJBOKZPZSA-N 2 1 329.444 1.656 20 0 EDADMP Cn1cc(-c2ccc(C[NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)s2)cn1 ZINC000629653957 450772301 /nfs/dbraw/zinc/77/23/01/450772301.db2.gz SJOUDUHSAMJYLF-UHFFFAOYSA-N 2 1 330.417 1.393 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000629570705 450742491 /nfs/dbraw/zinc/74/24/91/450742491.db2.gz BMVFIXDHUUKHMC-OAHLLOKOSA-N 2 1 343.830 1.752 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000629570705 450742492 /nfs/dbraw/zinc/74/24/92/450742492.db2.gz BMVFIXDHUUKHMC-OAHLLOKOSA-N 2 1 343.830 1.752 20 0 EDADMP C[C@H](NC(=O)C[N@H+](C)CCOCC[NH3+])c1ccc2ccccc2c1 ZINC000629574465 450744427 /nfs/dbraw/zinc/74/44/27/450744427.db2.gz HVTCPHNGZRVDLV-HNNXBMFYSA-N 2 1 329.444 1.924 20 0 EDADMP C[C@H](NC(=O)C[N@@H+](C)CCOCC[NH3+])c1ccc2ccccc2c1 ZINC000629574465 450744431 /nfs/dbraw/zinc/74/44/31/450744431.db2.gz HVTCPHNGZRVDLV-HNNXBMFYSA-N 2 1 329.444 1.924 20 0 EDADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+])c1cc2ccccc2o1 ZINC000629578681 450746001 /nfs/dbraw/zinc/74/60/01/450746001.db2.gz DAPZREFSQLDKQB-ZIAGYGMSSA-N 2 1 333.432 1.906 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631758803 450754622 /nfs/dbraw/zinc/75/46/22/450754622.db2.gz JTQKFDBUCWDLBS-CALCHBBNSA-N 2 1 345.553 1.760 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)nn1 ZINC000629648528 450770389 /nfs/dbraw/zinc/77/03/89/450770389.db2.gz QFKUWMZZXHTBIN-QGZVFWFLSA-N 2 1 325.416 1.850 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)CCC[NH+](C)C)C1 ZINC000631787429 450776382 /nfs/dbraw/zinc/77/63/82/450776382.db2.gz DAPUPZOMSZLIBE-WBVHZDCISA-N 2 1 339.505 1.693 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2)[NH+](C)C ZINC000635254805 450785720 /nfs/dbraw/zinc/78/57/20/450785720.db2.gz IGODEPWFMCUPSY-KPFFTGBYSA-N 2 1 345.487 1.591 20 0 EDADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+](Cc3cccnc3)C1)C2 ZINC000621693086 450837030 /nfs/dbraw/zinc/83/70/30/450837030.db2.gz TZHFBBZVCQYCDD-LNLFQRSKSA-N 2 1 328.460 1.633 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cccc4c3CCOC4)C2)nn1 ZINC000631828235 450800708 /nfs/dbraw/zinc/80/07/08/450800708.db2.gz JNWNPTPUMSXJKA-KRWDZBQOSA-N 2 1 327.432 1.647 20 0 EDADMP CCCn1nccc1NC(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000631828813 450801448 /nfs/dbraw/zinc/80/14/48/450801448.db2.gz ZBEJYRGGQYPREI-CVEARBPZSA-N 2 1 349.479 1.450 20 0 EDADMP C[N@@H+]1C[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)[C@@H](c2ccccc2)C1 ZINC000626680567 450850521 /nfs/dbraw/zinc/85/05/21/450850521.db2.gz PKBYCRNFFKXYSE-YDZRNGNQSA-N 2 1 345.462 1.977 20 0 EDADMP C[N@H+]1C[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)[C@@H](c2ccccc2)C1 ZINC000626680567 450850525 /nfs/dbraw/zinc/85/05/25/450850525.db2.gz PKBYCRNFFKXYSE-YDZRNGNQSA-N 2 1 345.462 1.977 20 0 EDADMP C[N@@H+](CCNC(=O)C(C)(C)C[NH+]1CCOCC1)Cc1ccccc1 ZINC000635410640 450916661 /nfs/dbraw/zinc/91/66/61/450916661.db2.gz KNACFPLWBFFYJK-UHFFFAOYSA-N 2 1 333.476 1.593 20 0 EDADMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000626811315 450924124 /nfs/dbraw/zinc/92/41/24/450924124.db2.gz AIRBVUQLKUDJMD-CEXWTWQISA-N 2 1 347.503 1.541 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)c2C1 ZINC000626888229 450985398 /nfs/dbraw/zinc/98/53/98/450985398.db2.gz JRFIJMQFQBPKHJ-DZGCQCFKSA-N 2 1 344.459 1.607 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)c2C1 ZINC000626888229 450985403 /nfs/dbraw/zinc/98/54/03/450985403.db2.gz JRFIJMQFQBPKHJ-DZGCQCFKSA-N 2 1 344.459 1.607 20 0 EDADMP C[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000626974470 451044398 /nfs/dbraw/zinc/04/43/98/451044398.db2.gz GZPJEJBEXAFQDW-HNNXBMFYSA-N 2 1 334.464 1.314 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626966464 451039276 /nfs/dbraw/zinc/03/92/76/451039276.db2.gz VPOFINAPMYIKQO-YNEHKIRRSA-N 2 1 338.418 1.885 20 0 EDADMP C[C@H](NC(=O)NCCOCCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627009346 451073722 /nfs/dbraw/zinc/07/37/22/451073722.db2.gz GRIVMDBMKDQRNI-FUHWJXTLSA-N 2 1 348.491 1.562 20 0 EDADMP CCN(CC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000627009903 451073858 /nfs/dbraw/zinc/07/38/58/451073858.db2.gz LEASUZBUGRNVCZ-QZTJIDSGSA-N 2 1 346.475 1.963 20 0 EDADMP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000627011477 451076254 /nfs/dbraw/zinc/07/62/54/451076254.db2.gz BJQGFPSOXLFYMG-CABCVRRESA-N 2 1 326.485 1.256 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCCO1 ZINC000627020659 451085678 /nfs/dbraw/zinc/08/56/78/451085678.db2.gz KGRAAFIRGSYFCV-NXHRZFHOSA-N 2 1 338.496 1.128 20 0 EDADMP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000635597945 451093947 /nfs/dbraw/zinc/09/39/47/451093947.db2.gz AJMZGBPJDIXGFI-QXAKKESOSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000635597945 451093951 /nfs/dbraw/zinc/09/39/51/451093951.db2.gz AJMZGBPJDIXGFI-QXAKKESOSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000635597945 451093957 /nfs/dbraw/zinc/09/39/57/451093957.db2.gz AJMZGBPJDIXGFI-QXAKKESOSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000635597945 451093962 /nfs/dbraw/zinc/09/39/62/451093962.db2.gz AJMZGBPJDIXGFI-QXAKKESOSA-N 2 1 345.487 1.734 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627194087 451178960 /nfs/dbraw/zinc/17/89/60/451178960.db2.gz UHLCFJJXRONUFT-SJLPKXTDSA-N 2 1 330.476 1.963 20 0 EDADMP C[C@H]1CC[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C[NH2+]1 ZINC000627201320 451183636 /nfs/dbraw/zinc/18/36/36/451183636.db2.gz GARCYUXNYVQADO-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1CN(C(=O)NCCOCCC[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000627219754 451193679 /nfs/dbraw/zinc/19/36/79/451193679.db2.gz IGWMTOPKRJRFQI-KRWDZBQOSA-N 2 1 348.491 1.515 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H]2CC[NH+]2C2CCCC2)CC[N@@H+]1CCOC ZINC000635753224 451220107 /nfs/dbraw/zinc/22/01/07/451220107.db2.gz PGQHHSKGEKTNIR-ZWKOTPCHSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H]2CC[NH+]2C2CCCC2)CC[N@H+]1CCOC ZINC000635753224 451220111 /nfs/dbraw/zinc/22/01/11/451220111.db2.gz PGQHHSKGEKTNIR-ZWKOTPCHSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1CCOC ZINC000635753224 451220113 /nfs/dbraw/zinc/22/01/13/451220113.db2.gz PGQHHSKGEKTNIR-ZWKOTPCHSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC[NH+]1CCOC ZINC000635753224 451220116 /nfs/dbraw/zinc/22/01/16/451220116.db2.gz PGQHHSKGEKTNIR-ZWKOTPCHSA-N 2 1 337.508 1.963 20 0 EDADMP C[N@@H+](CCn1cc([C@@H]([NH3+])C2CCOCC2)nn1)Cc1cccc(F)c1 ZINC000630589079 451266729 /nfs/dbraw/zinc/26/67/29/451266729.db2.gz DAGXNKWOKMBPDL-SFHVURJKSA-N 2 1 347.438 1.976 20 0 EDADMP C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1cnc(CN)nc1 ZINC000638112920 451281591 /nfs/dbraw/zinc/28/15/91/451281591.db2.gz XBPUQDDCZPONQN-CQSZACIVSA-N 2 1 325.416 1.282 20 0 EDADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000636563320 451305487 /nfs/dbraw/zinc/30/54/87/451305487.db2.gz RTMBFFWGGQLHRV-ULQDDVLXSA-N 2 1 340.512 1.110 20 0 EDADMP Cc1ocnc1CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638170279 451335051 /nfs/dbraw/zinc/33/50/51/451335051.db2.gz INWZERYXFRSVKW-UHFFFAOYSA-N 2 1 342.443 1.983 20 0 EDADMP C[C@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000640518115 451369396 /nfs/dbraw/zinc/36/93/96/451369396.db2.gz GTCFIDJITGWYPN-ZHCJQAHYSA-N 2 1 337.508 1.863 20 0 EDADMP C[C@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000640518115 451369399 /nfs/dbraw/zinc/36/93/99/451369399.db2.gz GTCFIDJITGWYPN-ZHCJQAHYSA-N 2 1 337.508 1.863 20 0 EDADMP O=C(CCC1C[NH2+]C1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000638270753 451390161 /nfs/dbraw/zinc/39/01/61/451390161.db2.gz HZSZXYCVCINXKO-UHFFFAOYSA-N 2 1 346.475 1.132 20 0 EDADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638178253 451340391 /nfs/dbraw/zinc/34/03/91/451340391.db2.gz LQILNNYKHSVIGO-FUHWJXTLSA-N 3 1 344.503 1.484 20 0 EDADMP O=C(C[C@@H](n1ccnc1)C(F)(F)F)NC[C@H]1CCC[N@@H+]1CCCO ZINC000635976139 451411098 /nfs/dbraw/zinc/41/10/98/451411098.db2.gz WJSYQEYQLXHJTI-CHWSQXEVSA-N 2 1 348.369 1.340 20 0 EDADMP CN(CCc1ccccc1)CC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000635975643 451411220 /nfs/dbraw/zinc/41/12/20/451411220.db2.gz BSGMLMNAYVNQDV-SFHVURJKSA-N 2 1 333.476 1.124 20 0 EDADMP C[N@H+](CCc1ccccc1)CC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000635975643 451411224 /nfs/dbraw/zinc/41/12/24/451411224.db2.gz BSGMLMNAYVNQDV-SFHVURJKSA-N 2 1 333.476 1.124 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000635975643 451411228 /nfs/dbraw/zinc/41/12/28/451411228.db2.gz BSGMLMNAYVNQDV-SFHVURJKSA-N 2 1 333.476 1.124 20 0 EDADMP C[NH+](CCc1ccccc1)CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000635975643 451411233 /nfs/dbraw/zinc/41/12/33/451411233.db2.gz BSGMLMNAYVNQDV-SFHVURJKSA-N 2 1 333.476 1.124 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000638299680 451414705 /nfs/dbraw/zinc/41/47/05/451414705.db2.gz PDYUWLQNQKYANV-HBFSDRIKSA-N 2 1 345.487 1.876 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000638299680 451414707 /nfs/dbraw/zinc/41/47/07/451414707.db2.gz PDYUWLQNQKYANV-HBFSDRIKSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638308372 451422313 /nfs/dbraw/zinc/42/23/13/451422313.db2.gz NDVZBFZUDXYFIK-HYJFEMIMSA-N 2 1 345.487 1.780 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000630852078 451438364 /nfs/dbraw/zinc/43/83/64/451438364.db2.gz GWXBFPSMMLBNOM-SOLBZPMBSA-N 2 1 347.507 1.922 20 0 EDADMP Cn1cc(CCC[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cn1 ZINC000638366330 451463842 /nfs/dbraw/zinc/46/38/42/451463842.db2.gz HGYYZWSWEPVTIB-UHFFFAOYSA-N 2 1 341.503 1.890 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)ccn1 ZINC000640616655 451465231 /nfs/dbraw/zinc/46/52/31/451465231.db2.gz KLCXTNHBAVPSOQ-UHFFFAOYSA-N 2 1 347.463 1.472 20 0 EDADMP CC(C)[C@@H](CO)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638398854 451488478 /nfs/dbraw/zinc/48/84/78/451488478.db2.gz FSYYGSAXCOACMI-QGZVFWFLSA-N 2 1 333.476 1.503 20 0 EDADMP OC[C@@H](Cc1ccncc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720246 451498968 /nfs/dbraw/zinc/49/89/68/451498968.db2.gz HGWIBHPNZLUGDQ-UXHICEINSA-N 2 1 341.455 1.212 20 0 EDADMP OC[C@@H](Cc1ccncc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720246 451498978 /nfs/dbraw/zinc/49/89/78/451498978.db2.gz HGWIBHPNZLUGDQ-UXHICEINSA-N 2 1 341.455 1.212 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638432996 451512172 /nfs/dbraw/zinc/51/21/72/451512172.db2.gz PKKRWFKBTSUXAW-IEZWGBDMSA-N 2 1 331.460 1.249 20 0 EDADMP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000634760495 451532175 /nfs/dbraw/zinc/53/21/75/451532175.db2.gz FYGUBBYSQLEUJY-ROUUACIJSA-N 2 1 345.487 1.782 20 0 EDADMP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000634760495 451532180 /nfs/dbraw/zinc/53/21/80/451532180.db2.gz FYGUBBYSQLEUJY-ROUUACIJSA-N 2 1 345.487 1.782 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)[C@]12CCCO2 ZINC000638483906 451537487 /nfs/dbraw/zinc/53/74/87/451537487.db2.gz PRZJASHLLFCJRJ-RCCFBDPRSA-N 2 1 326.481 1.804 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H]4COC[C@@H]4C3)CC2)CC1 ZINC000634775382 451540762 /nfs/dbraw/zinc/54/07/62/451540762.db2.gz FRJFGGUFQIGQDS-CALCHBBNSA-N 2 1 335.492 1.288 20 0 EDADMP CN(C)C(=O)CCN1CCC([NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000631068703 451566386 /nfs/dbraw/zinc/56/63/86/451566386.db2.gz LKUDJLXEYAPUIF-UHFFFAOYSA-N 2 1 347.507 1.331 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000636244964 451615861 /nfs/dbraw/zinc/61/58/61/451615861.db2.gz PZEJQRCYXDGBGS-RBUKOAKNSA-N 2 1 344.503 1.261 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000636244964 451615870 /nfs/dbraw/zinc/61/58/70/451615870.db2.gz PZEJQRCYXDGBGS-RBUKOAKNSA-N 2 1 344.503 1.261 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000636244964 451615875 /nfs/dbraw/zinc/61/58/75/451615875.db2.gz PZEJQRCYXDGBGS-RBUKOAKNSA-N 2 1 344.503 1.261 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000636244964 451615882 /nfs/dbraw/zinc/61/58/82/451615882.db2.gz PZEJQRCYXDGBGS-RBUKOAKNSA-N 2 1 344.503 1.261 20 0 EDADMP [NH3+]CCCOCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000638662533 451638412 /nfs/dbraw/zinc/63/84/12/451638412.db2.gz WQOZKEVENWSNME-INIZCTEOSA-N 2 1 348.491 1.975 20 0 EDADMP c1nnc([C@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c2ccccc2)[nH]1 ZINC000635007053 451647844 /nfs/dbraw/zinc/64/78/44/451647844.db2.gz DJWQYMFAQPPYJL-QGZVFWFLSA-N 2 1 335.415 1.811 20 0 EDADMP CCC[C@H]1CN(C(=O)NC[C@H]2CCCC[NH2+]2)CC[N@H+]1CCOC ZINC000637001848 451672303 /nfs/dbraw/zinc/67/23/03/451672303.db2.gz OPSTWPMZZXGLJZ-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP C[NH+](C)C1(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)CCCCCC1 ZINC000636483597 451731490 /nfs/dbraw/zinc/73/14/90/451731490.db2.gz RNDAJOXMIJHMIN-HNNXBMFYSA-N 2 1 326.485 1.007 20 0 EDADMP CO[C@@]1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCOC1 ZINC000638968894 451743069 /nfs/dbraw/zinc/74/30/69/451743069.db2.gz CXQRTUHSGDKXHU-RBUKOAKNSA-N 2 1 334.460 1.538 20 0 EDADMP [NH3+]C1(CC(=O)N2CCn3nccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000639034306 451755288 /nfs/dbraw/zinc/75/52/88/451755288.db2.gz DIMLPZIWLNUTEG-UHFFFAOYSA-N 2 1 339.443 1.613 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641214288 451783833 /nfs/dbraw/zinc/78/38/33/451783833.db2.gz CAZVWCOCNUQOLP-HKUYNNGSSA-N 2 1 343.475 1.313 20 0 EDADMP O=C(NCC[NH2+]C1CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000637317803 451788252 /nfs/dbraw/zinc/78/82/52/451788252.db2.gz RCSOQGXPUWQQDV-CALCHBBNSA-N 2 1 328.460 1.512 20 0 EDADMP CCC[C@@H]([NH3+])c1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641230744 451791319 /nfs/dbraw/zinc/79/13/19/451791319.db2.gz STQODXUCQSCKCN-SJLPKXTDSA-N 2 1 329.448 1.715 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000641255305 451795202 /nfs/dbraw/zinc/79/52/02/451795202.db2.gz BLVMDJLOZXKQLO-KBAYOESNSA-N 2 1 330.476 1.900 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000637389904 451819934 /nfs/dbraw/zinc/81/99/34/451819934.db2.gz JTYAKJQECHRTOV-MRXNPFEDSA-N 2 1 348.491 1.909 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000637389904 451819941 /nfs/dbraw/zinc/81/99/41/451819941.db2.gz JTYAKJQECHRTOV-MRXNPFEDSA-N 2 1 348.491 1.909 20 0 EDADMP COCC[NH+]1CCC(NC[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644528700 451842280 /nfs/dbraw/zinc/84/22/80/451842280.db2.gz QAONAQXKHUMXCN-IBGZPJMESA-N 2 1 335.492 1.180 20 0 EDADMP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@H]1CCSC1 ZINC000649102762 451846847 /nfs/dbraw/zinc/84/68/47/451846847.db2.gz KHIBQZFPCSOFAG-SQNIBIBYSA-N 2 1 347.528 1.885 20 0 EDADMP C[NH+](CC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CCSC1 ZINC000649102762 451846854 /nfs/dbraw/zinc/84/68/54/451846854.db2.gz KHIBQZFPCSOFAG-SQNIBIBYSA-N 2 1 347.528 1.885 20 0 EDADMP C[NH+](CC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCSC1 ZINC000649102762 451846861 /nfs/dbraw/zinc/84/68/61/451846861.db2.gz KHIBQZFPCSOFAG-SQNIBIBYSA-N 2 1 347.528 1.885 20 0 EDADMP CNC(=O)[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639486773 451895822 /nfs/dbraw/zinc/89/58/22/451895822.db2.gz RSAMIMMNOTUQDC-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639486773 451895826 /nfs/dbraw/zinc/89/58/26/451895826.db2.gz RSAMIMMNOTUQDC-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP CNC(=O)[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639486773 451895829 /nfs/dbraw/zinc/89/58/29/451895829.db2.gz RSAMIMMNOTUQDC-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP CNC(=O)[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639486773 451895833 /nfs/dbraw/zinc/89/58/33/451895833.db2.gz RSAMIMMNOTUQDC-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639506868 451912867 /nfs/dbraw/zinc/91/28/67/451912867.db2.gz RYKMLJSVDMUGPR-VQTJNVASSA-N 2 1 347.503 1.012 20 0 EDADMP COC[C@]1(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CCC[NH2+]1 ZINC000649279557 451950567 /nfs/dbraw/zinc/95/05/67/451950567.db2.gz XWLCRWABEBBFTA-WBVHZDCISA-N 2 1 339.867 1.828 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)c1ccccc1Cl ZINC000649279338 451951358 /nfs/dbraw/zinc/95/13/58/451951358.db2.gz HEWFHJSUKURWIO-IUODEOHRSA-N 2 1 325.840 1.295 20 0 EDADMP CN(C(=O)CCc1cncnc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000644795687 451993715 /nfs/dbraw/zinc/99/37/15/451993715.db2.gz JKVNSOOUKYQOMI-QGZVFWFLSA-N 2 1 331.464 1.036 20 0 EDADMP CN(C(=O)CCc1cncnc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644795687 451993722 /nfs/dbraw/zinc/99/37/22/451993722.db2.gz JKVNSOOUKYQOMI-QGZVFWFLSA-N 2 1 331.464 1.036 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)C1 ZINC000649315882 451994256 /nfs/dbraw/zinc/99/42/56/451994256.db2.gz YVMLYRJUAVJZKC-SRABZTEZSA-N 2 1 342.443 1.073 20 0 EDADMP Cc1ncc(CNC(=O)CC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)s1 ZINC000639659823 452004742 /nfs/dbraw/zinc/00/47/42/452004742.db2.gz POASMWLBGINARL-KRWDZBQOSA-N 2 1 336.505 1.876 20 0 EDADMP Cc1ncc(CNC(=O)CC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC000639659823 452004745 /nfs/dbraw/zinc/00/47/45/452004745.db2.gz POASMWLBGINARL-KRWDZBQOSA-N 2 1 336.505 1.876 20 0 EDADMP Cc1ncc(CNC(=O)CC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC000639659823 452004749 /nfs/dbraw/zinc/00/47/49/452004749.db2.gz POASMWLBGINARL-KRWDZBQOSA-N 2 1 336.505 1.876 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C[C@H]1CC ZINC000649325188 452005142 /nfs/dbraw/zinc/00/51/42/452005142.db2.gz LVCHWRWRYWGYQK-KGLIPLIRSA-N 2 1 333.423 1.191 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000649326550 452007066 /nfs/dbraw/zinc/00/70/66/452007066.db2.gz BNEPLCWXYJLYNO-POORBHPNSA-N 2 1 335.492 1.604 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c2)C[C@H](C)O1 ZINC000649337760 452018372 /nfs/dbraw/zinc/01/83/72/452018372.db2.gz NJDMNIPGOIXTTO-AXRYGOTBSA-N 2 1 329.444 1.985 20 0 EDADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@]2(N)CC[NH+](C)C2)c1 ZINC000649346617 452028050 /nfs/dbraw/zinc/02/80/50/452028050.db2.gz VZIDIRKZPKLIDC-HXUWFJFHSA-N 2 1 346.519 1.958 20 0 EDADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@@]2(N)CC[N@H+](C)C2)c1 ZINC000649346617 452028057 /nfs/dbraw/zinc/02/80/57/452028057.db2.gz VZIDIRKZPKLIDC-HXUWFJFHSA-N 2 1 346.519 1.958 20 0 EDADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@@]2(N)CC[N@@H+](C)C2)c1 ZINC000649346617 452028066 /nfs/dbraw/zinc/02/80/66/452028066.db2.gz VZIDIRKZPKLIDC-HXUWFJFHSA-N 2 1 346.519 1.958 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@@]3(N)CC[N@@H+](C)C3)c(C)c2)CC1 ZINC000649348931 452032356 /nfs/dbraw/zinc/03/23/56/452032356.db2.gz HBWPWCGDDHMEOG-LJQANCHMSA-N 2 1 345.491 1.108 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000649350101 452033772 /nfs/dbraw/zinc/03/37/72/452033772.db2.gz FCCUYRIXBKPRHT-RBUKOAKNSA-N 2 1 344.503 1.425 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2(OC)CC[NH2+]CC2)[C@@H](C)C1 ZINC000649381280 452054118 /nfs/dbraw/zinc/05/41/18/452054118.db2.gz YQJCGSOVFAMDBB-HOTGVXAUSA-N 2 1 341.496 1.008 20 0 EDADMP CO[C@H](Cc1ccccc1)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000649382203 452054739 /nfs/dbraw/zinc/05/47/39/452054739.db2.gz VREDZNRJOSKOBK-VQTJNVASSA-N 2 1 331.504 1.956 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@@H]2C1 ZINC000645006968 452110086 /nfs/dbraw/zinc/11/00/86/452110086.db2.gz JIXAKBZZXGWJPK-GOEBONIOSA-N 2 1 346.479 1.708 20 0 EDADMP CC(C)([NH3+])CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637858073 452117980 /nfs/dbraw/zinc/11/79/80/452117980.db2.gz UXGQGIAUONPSCN-VQIMIIECSA-N 2 1 331.460 1.379 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)C3)cn2)CC1 ZINC000647248373 452143984 /nfs/dbraw/zinc/14/39/84/452143984.db2.gz RCUDNZHCLWFYJB-IYBDPMFKSA-N 2 1 333.480 1.664 20 0 EDADMP O=C1CC[C@@H]2C[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CC[C@@H]2N1 ZINC000639813802 452148546 /nfs/dbraw/zinc/14/85/46/452148546.db2.gz LEEZLKOCIGWIDZ-HBFSDRIKSA-N 2 1 343.471 1.224 20 0 EDADMP O=C1CC[C@@H]2C[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CC[C@@H]2N1 ZINC000639813802 452148552 /nfs/dbraw/zinc/14/85/52/452148552.db2.gz LEEZLKOCIGWIDZ-HBFSDRIKSA-N 2 1 343.471 1.224 20 0 EDADMP O=C1CC[C@@H]2C[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC[C@@H]2N1 ZINC000639813802 452148559 /nfs/dbraw/zinc/14/85/59/452148559.db2.gz LEEZLKOCIGWIDZ-HBFSDRIKSA-N 2 1 343.471 1.224 20 0 EDADMP O=C1CC[C@@H]2C[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]2N1 ZINC000639813802 452148564 /nfs/dbraw/zinc/14/85/64/452148564.db2.gz LEEZLKOCIGWIDZ-HBFSDRIKSA-N 2 1 343.471 1.224 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H](n2ccnn2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000639818009 452149976 /nfs/dbraw/zinc/14/99/76/452149976.db2.gz YEBOGGHXLWJTQT-QGZVFWFLSA-N 2 1 346.479 1.048 20 0 EDADMP CCCN(C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645155052 452182578 /nfs/dbraw/zinc/18/25/78/452182578.db2.gz VMPFPISVPNLNKO-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP CCCN(C(=O)NC1CC[NH+](CCN(C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000645155052 452182582 /nfs/dbraw/zinc/18/25/82/452182582.db2.gz VMPFPISVPNLNKO-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP CCCN(C(=O)NC1CC[NH+](CCN(C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645155052 452182590 /nfs/dbraw/zinc/18/25/90/452182590.db2.gz VMPFPISVPNLNKO-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)C[C@@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000645183298 452199384 /nfs/dbraw/zinc/19/93/84/452199384.db2.gz UDSFIHVUCSJQQK-GJZGRUSLSA-N 2 1 336.505 1.152 20 0 EDADMP CC(C)O[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000649700595 452203712 /nfs/dbraw/zinc/20/37/12/452203712.db2.gz HVEYCWPKKGWOLP-QGZVFWFLSA-N 2 1 325.497 1.865 20 0 EDADMP CC[N@@H+](CCNc1nc(N)[nH+]c2c1CCCC2)CCC(F)(F)F ZINC000645223250 452218937 /nfs/dbraw/zinc/21/89/37/452218937.db2.gz AGSHIHNODYQFEB-UHFFFAOYSA-N 2 1 331.386 2.046 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)C1)N1CC[NH2+]CC1 ZINC000647486391 452230242 /nfs/dbraw/zinc/23/02/42/452230242.db2.gz KRWLYJNKPOQNQZ-LJQANCHMSA-N 2 1 338.455 1.879 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655468124 452262455 /nfs/dbraw/zinc/26/24/55/452262455.db2.gz IDTVHZJIKNWZKG-ZIFCJYIRSA-N 2 1 334.508 1.005 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645284944 452262927 /nfs/dbraw/zinc/26/29/27/452262927.db2.gz FOLBPDZKRPVDPV-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP COc1cc(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc(OC)c1OC ZINC000641808593 452288643 /nfs/dbraw/zinc/28/86/43/452288643.db2.gz ZACKXIGQDGAGCD-UONOGXRCSA-N 2 1 337.420 1.366 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)NCC12CC(C1)C[NH2+]2 ZINC000659444898 452293255 /nfs/dbraw/zinc/29/32/55/452293255.db2.gz CAIIQZGPJPDLJR-PGYGNJIDSA-N 2 1 342.487 1.950 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@H](C)O1 ZINC000652123869 452319242 /nfs/dbraw/zinc/31/92/42/452319242.db2.gz CYJGVTKAFAUASU-DFGXFYAUSA-N 2 1 338.496 1.256 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665759892 452332132 /nfs/dbraw/zinc/33/21/32/452332132.db2.gz SLQKCZKZGUQFJS-IRXDYDNUSA-N 3 1 341.544 1.384 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665759892 452332141 /nfs/dbraw/zinc/33/21/41/452332141.db2.gz SLQKCZKZGUQFJS-IRXDYDNUSA-N 3 1 341.544 1.384 20 0 EDADMP CC[C@@]1(CO)CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665761461 452336510 /nfs/dbraw/zinc/33/65/10/452336510.db2.gz FBLIROAHEVEMLX-RDJZCZTQSA-N 2 1 328.501 1.205 20 0 EDADMP CC[C@@]1(CO)CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665761461 452336515 /nfs/dbraw/zinc/33/65/15/452336515.db2.gz FBLIROAHEVEMLX-RDJZCZTQSA-N 2 1 328.501 1.205 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659481594 452342468 /nfs/dbraw/zinc/34/24/68/452342468.db2.gz JAGWKUPIRHWNTA-WAZRQNRBSA-N 2 1 328.460 1.640 20 0 EDADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000641956730 452353266 /nfs/dbraw/zinc/35/32/66/452353266.db2.gz KYGVPCYXADIFAE-MUUBBLDRSA-N 2 1 329.448 1.253 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC[N@H+]1C ZINC000652159099 452353751 /nfs/dbraw/zinc/35/37/51/452353751.db2.gz RMHXZPKUJKGYFL-DRRXZNNHSA-N 2 1 338.496 1.397 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CN3CC[NH2+]CC3)cc2)C1 ZINC000638062244 452354108 /nfs/dbraw/zinc/35/41/08/452354108.db2.gz DESRZRROUJGSPF-QGZVFWFLSA-N 2 1 344.503 1.440 20 0 EDADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000640017284 452356833 /nfs/dbraw/zinc/35/68/33/452356833.db2.gz KYHBZKLVUOXZSG-UHFFFAOYSA-N 2 1 346.475 1.920 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652179622 452373122 /nfs/dbraw/zinc/37/31/22/452373122.db2.gz SSXFWWFSBGYWQW-NVXWUHKLSA-N 2 1 330.476 1.935 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652179621 452373353 /nfs/dbraw/zinc/37/33/53/452373353.db2.gz SSXFWWFSBGYWQW-DOTOQJQBSA-N 2 1 330.476 1.935 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000638071242 452378726 /nfs/dbraw/zinc/37/87/26/452378726.db2.gz AVCXPPNIHFWCHN-KURKYZTESA-N 2 1 330.476 1.189 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638071242 452378734 /nfs/dbraw/zinc/37/87/34/452378734.db2.gz AVCXPPNIHFWCHN-KURKYZTESA-N 2 1 330.476 1.189 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000638071242 452378741 /nfs/dbraw/zinc/37/87/41/452378741.db2.gz AVCXPPNIHFWCHN-KURKYZTESA-N 2 1 330.476 1.189 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638071242 452378748 /nfs/dbraw/zinc/37/87/48/452378748.db2.gz AVCXPPNIHFWCHN-KURKYZTESA-N 2 1 330.476 1.189 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000638071242 452378756 /nfs/dbraw/zinc/37/87/56/452378756.db2.gz AVCXPPNIHFWCHN-KURKYZTESA-N 2 1 330.476 1.189 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652215597 452410059 /nfs/dbraw/zinc/41/00/59/452410059.db2.gz WXVITDRPPPXUHJ-MSOLQXFVSA-N 2 1 330.476 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652215597 452410072 /nfs/dbraw/zinc/41/00/72/452410072.db2.gz WXVITDRPPPXUHJ-MSOLQXFVSA-N 2 1 330.476 1.697 20 0 EDADMP [NH3+]CC1(CCNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000652235819 452424059 /nfs/dbraw/zinc/42/40/59/452424059.db2.gz UFSMPUADLKBVSU-HDICACEKSA-N 2 1 342.487 1.889 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000659584786 452440753 /nfs/dbraw/zinc/44/07/53/452440753.db2.gz METQSZDWVRJSQY-QZTJIDSGSA-N 2 1 346.450 1.832 20 0 EDADMP C[C@@H]1C[N@H+](CCN2CC[C@H]([NH+](C)CCc3ccccc3)C2)CCO1 ZINC000661648228 452461194 /nfs/dbraw/zinc/46/11/94/452461194.db2.gz LVOJPXFRHVHMGG-QUCCMNQESA-N 2 1 331.504 1.956 20 0 EDADMP C[C@@H]1C[N@@H+](CCN2CC[C@H]([NH+](C)CCc3ccccc3)C2)CCO1 ZINC000661648228 452461205 /nfs/dbraw/zinc/46/12/05/452461205.db2.gz LVOJPXFRHVHMGG-QUCCMNQESA-N 2 1 331.504 1.956 20 0 EDADMP C[C@@H]1C[NH+](CCN2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CCO1 ZINC000661648228 452461216 /nfs/dbraw/zinc/46/12/16/452461216.db2.gz LVOJPXFRHVHMGG-QUCCMNQESA-N 2 1 331.504 1.956 20 0 EDADMP C[C@@H]1C[NH+](CCN2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CCO1 ZINC000661648228 452461224 /nfs/dbraw/zinc/46/12/24/452461224.db2.gz LVOJPXFRHVHMGG-QUCCMNQESA-N 2 1 331.504 1.956 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654437012 452494943 /nfs/dbraw/zinc/49/49/43/452494943.db2.gz AXCUVIYOCSEFOC-BRWVUGGUSA-N 2 1 338.496 1.413 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652322177 452497224 /nfs/dbraw/zinc/49/72/24/452497224.db2.gz CYAYTLPQJHPTJK-UHFFFAOYSA-N 2 1 339.528 1.091 20 0 EDADMP CC[C@H](C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1)[NH+](CC)CC ZINC000647765428 452499996 /nfs/dbraw/zinc/49/99/96/452499996.db2.gz OGCPLKHLRNZJHS-NVXWUHKLSA-N 2 1 325.497 1.819 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCOCC1 ZINC000654443834 452506587 /nfs/dbraw/zinc/50/65/87/452506587.db2.gz BKKGDUZEMRKJOC-HZPDHXFCSA-N 2 1 338.496 1.413 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(S(=O)(=O)NC4CC4)cc3)C[C@H]21 ZINC000652340425 452510507 /nfs/dbraw/zinc/51/05/07/452510507.db2.gz UHZFIJBEXUJCEV-BMGDILEWSA-N 2 1 349.500 1.687 20 0 EDADMP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345977 452520195 /nfs/dbraw/zinc/52/01/95/452520195.db2.gz QIUDBKUDKURHMZ-CBBWQLFWSA-N 2 1 333.436 1.022 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3nc(CC(F)(F)F)no3)C2)C1 ZINC000652348679 452521733 /nfs/dbraw/zinc/52/17/33/452521733.db2.gz NAWDEXYUDBIMDD-IJLUTSLNSA-N 2 1 348.369 1.893 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3nc(CC(F)(F)F)no3)C2)C1 ZINC000652348679 452521744 /nfs/dbraw/zinc/52/17/44/452521744.db2.gz NAWDEXYUDBIMDD-IJLUTSLNSA-N 2 1 348.369 1.893 20 0 EDADMP CC(C)CN(C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347493 452522324 /nfs/dbraw/zinc/52/23/24/452522324.db2.gz CFEOSCFVMREFLM-BQFCYCMXSA-N 2 1 337.508 1.852 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661718743 452526365 /nfs/dbraw/zinc/52/63/65/452526365.db2.gz JUCCMQCBSLRXAV-WOGUSJMUSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661718743 452526379 /nfs/dbraw/zinc/52/63/79/452526379.db2.gz JUCCMQCBSLRXAV-WOGUSJMUSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661718743 452526391 /nfs/dbraw/zinc/52/63/91/452526391.db2.gz JUCCMQCBSLRXAV-WOGUSJMUSA-N 2 1 343.471 1.222 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661718743 452526399 /nfs/dbraw/zinc/52/63/99/452526399.db2.gz JUCCMQCBSLRXAV-WOGUSJMUSA-N 2 1 343.471 1.222 20 0 EDADMP CCOc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652351995 452529670 /nfs/dbraw/zinc/52/96/70/452529670.db2.gz SINULCMZCDAUHA-LPHOPBHVSA-N 2 1 331.460 1.762 20 0 EDADMP CCOc1cccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652351995 452529679 /nfs/dbraw/zinc/52/96/79/452529679.db2.gz SINULCMZCDAUHA-LPHOPBHVSA-N 2 1 331.460 1.762 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NCCOc1ccc(F)cc1)C2 ZINC000652352043 452530275 /nfs/dbraw/zinc/53/02/75/452530275.db2.gz YOBXHQUSQJGNQV-KSSFIOAISA-N 2 1 335.423 1.382 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCCOc1ccc(F)cc1)C2 ZINC000652352043 452530281 /nfs/dbraw/zinc/53/02/81/452530281.db2.gz YOBXHQUSQJGNQV-KSSFIOAISA-N 2 1 335.423 1.382 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)NC(C2CC2)C2CC2)C1 ZINC000652361902 452541224 /nfs/dbraw/zinc/54/12/24/452541224.db2.gz SDYFFHHQNBFEIZ-IKGGRYGDSA-N 2 1 335.492 1.652 20 0 EDADMP FC(F)C(F)(F)COCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655760059 452561516 /nfs/dbraw/zinc/56/15/16/452561516.db2.gz WJVCFVKSOXFNNL-LBPRGKRZSA-N 2 1 328.350 1.746 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000659698738 452584056 /nfs/dbraw/zinc/58/40/56/452584056.db2.gz KULFMHYEAMWYCW-JKSUJKDBSA-N 2 1 340.512 1.247 20 0 EDADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000657889542 452594841 /nfs/dbraw/zinc/59/48/41/452594841.db2.gz SEERHYNTKINSIX-KBAYOESNSA-N 2 1 329.448 1.139 20 0 EDADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000657889542 452594852 /nfs/dbraw/zinc/59/48/52/452594852.db2.gz SEERHYNTKINSIX-KBAYOESNSA-N 2 1 329.448 1.139 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000647882919 452620574 /nfs/dbraw/zinc/62/05/74/452620574.db2.gz OJFLPELTMLXEHS-PMACEKPBSA-N 2 1 326.440 1.724 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)NC(C)(C)C[NH+]2CCCC2)CC1(C)C ZINC000655891323 452646613 /nfs/dbraw/zinc/64/66/13/452646613.db2.gz DBEKTIAWHOMTRI-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]1 ZINC000647905659 452647336 /nfs/dbraw/zinc/64/73/36/452647336.db2.gz IOLKOWSYPCMPOR-ZWKOTPCHSA-N 3 1 336.524 1.346 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654567170 452652323 /nfs/dbraw/zinc/65/23/23/452652323.db2.gz AKCOCQMDWPEIAV-QXSJWSMHSA-N 2 1 328.501 1.512 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654567170 452652327 /nfs/dbraw/zinc/65/23/27/452652327.db2.gz AKCOCQMDWPEIAV-QXSJWSMHSA-N 2 1 328.501 1.512 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654567170 452652335 /nfs/dbraw/zinc/65/23/35/452652335.db2.gz AKCOCQMDWPEIAV-QXSJWSMHSA-N 2 1 328.501 1.512 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654567170 452652340 /nfs/dbraw/zinc/65/23/40/452652340.db2.gz AKCOCQMDWPEIAV-QXSJWSMHSA-N 2 1 328.501 1.512 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000666183566 452666818 /nfs/dbraw/zinc/66/68/18/452666818.db2.gz KMJUIEFWPYWJIP-MRXNPFEDSA-N 2 1 348.495 1.688 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000652486210 452682052 /nfs/dbraw/zinc/68/20/52/452682052.db2.gz TWWPHIGLEGZCNT-INIZCTEOSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655922136 452686449 /nfs/dbraw/zinc/68/64/49/452686449.db2.gz QDKYXBXMXMVVNS-TZMCWYRMSA-N 2 1 344.381 1.792 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655922136 452686452 /nfs/dbraw/zinc/68/64/52/452686452.db2.gz QDKYXBXMXMVVNS-TZMCWYRMSA-N 2 1 344.381 1.792 20 0 EDADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)Cn1cncn1 ZINC000658034593 452696005 /nfs/dbraw/zinc/69/60/05/452696005.db2.gz JVJKGCMVKLMLLN-BHIYHBOVSA-N 2 1 343.475 1.793 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)Cn1cncn1 ZINC000658034593 452696010 /nfs/dbraw/zinc/69/60/10/452696010.db2.gz JVJKGCMVKLMLLN-BHIYHBOVSA-N 2 1 343.475 1.793 20 0 EDADMP C(c1nnnn1CC1CCOCC1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978701 452722425 /nfs/dbraw/zinc/72/24/25/452722425.db2.gz WWTXZFLHCBOHNW-SJORKVTESA-N 2 1 348.495 1.311 20 0 EDADMP C(c1nnnn1CC1CCOCC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978701 452722432 /nfs/dbraw/zinc/72/24/32/452722432.db2.gz WWTXZFLHCBOHNW-SJORKVTESA-N 2 1 348.495 1.311 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655958843 452739809 /nfs/dbraw/zinc/73/98/09/452739809.db2.gz OTQVQOCSAZZUQJ-IAGOWNOFSA-N 2 1 342.443 1.361 20 0 EDADMP C[C@@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964929 452745353 /nfs/dbraw/zinc/74/53/53/452745353.db2.gz JFXZJIZZEJPBSC-LJIGWXMPSA-N 2 1 326.485 1.173 20 0 EDADMP C[C@@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964929 452745358 /nfs/dbraw/zinc/74/53/58/452745358.db2.gz JFXZJIZZEJPBSC-LJIGWXMPSA-N 2 1 326.485 1.173 20 0 EDADMP COCC1(CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH2+]CC1 ZINC000655966604 452747885 /nfs/dbraw/zinc/74/78/85/452747885.db2.gz BKGVGVNUYXAZCJ-HZPDHXFCSA-N 2 1 338.496 1.319 20 0 EDADMP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970776 452752810 /nfs/dbraw/zinc/75/28/10/452752810.db2.gz LOJFJGHTAMHUSV-WCVJEAGWSA-N 2 1 326.485 1.268 20 0 EDADMP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970776 452752816 /nfs/dbraw/zinc/75/28/16/452752816.db2.gz LOJFJGHTAMHUSV-WCVJEAGWSA-N 2 1 326.485 1.268 20 0 EDADMP CCN(C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000664174793 452843552 /nfs/dbraw/zinc/84/35/52/452843552.db2.gz VMGSGPBDMNAQCQ-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000664180804 452848600 /nfs/dbraw/zinc/84/86/00/452848600.db2.gz ADYUOCHLDZCGMG-DOTOQJQBSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000664180804 452848603 /nfs/dbraw/zinc/84/86/03/452848603.db2.gz ADYUOCHLDZCGMG-DOTOQJQBSA-N 3 1 339.528 1.042 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000664180804 452848605 /nfs/dbraw/zinc/84/86/05/452848605.db2.gz ADYUOCHLDZCGMG-DOTOQJQBSA-N 3 1 339.528 1.042 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000664180804 452848610 /nfs/dbraw/zinc/84/86/10/452848610.db2.gz ADYUOCHLDZCGMG-DOTOQJQBSA-N 3 1 339.528 1.042 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000664180804 452848613 /nfs/dbraw/zinc/84/86/13/452848613.db2.gz ADYUOCHLDZCGMG-DOTOQJQBSA-N 3 1 339.528 1.042 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000648160074 452869773 /nfs/dbraw/zinc/86/97/73/452869773.db2.gz WJDOOIRCNXJDNF-BZSNNMDCSA-N 2 1 330.476 1.737 20 0 EDADMP CC(C)[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000648175892 452887311 /nfs/dbraw/zinc/88/73/11/452887311.db2.gz AJRKTBDQUQBTDE-RLFYNMQTSA-N 2 1 335.496 1.635 20 0 EDADMP COCCCn1nccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650725322 452954670 /nfs/dbraw/zinc/95/46/70/452954670.db2.gz YFTMREHHTOUKST-NXHRZFHOSA-N 2 1 336.480 1.780 20 0 EDADMP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000656256596 452992937 /nfs/dbraw/zinc/99/29/37/452992937.db2.gz WLEHIBYWDRLNHD-BZSNNMDCSA-N 2 1 348.491 1.873 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)CC2)C1 ZINC000646003177 452998724 /nfs/dbraw/zinc/99/87/24/452998724.db2.gz VNXWVSXGEQJFPR-GOSISDBHSA-N 2 1 328.460 1.142 20 0 EDADMP FC1(F)Oc2ccc(CC[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cc2O1 ZINC000662274353 453001593 /nfs/dbraw/zinc/00/15/93/453001593.db2.gz WHBLHHNVYKVTGM-AWEZNQCLSA-N 2 1 339.386 1.530 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000662274149 453001813 /nfs/dbraw/zinc/00/18/13/453001813.db2.gz FLVFFYRKQGPNHD-HZPDHXFCSA-N 2 1 337.489 1.416 20 0 EDADMP NS(=O)(=O)c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)co1 ZINC000662273454 453003072 /nfs/dbraw/zinc/00/30/72/453003072.db2.gz MRBSVBCIYIXGPF-UONOGXRCSA-N 2 1 327.450 1.139 20 0 EDADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(C[C@H]4C[NH2+]CCO4)CC[C@H]32)cc1 ZINC000662278791 453003809 /nfs/dbraw/zinc/00/38/09/453003809.db2.gz ARLSQPCDLVVSGG-VAMGGRTRSA-N 2 1 329.488 1.961 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCC(C)(C)C)C1 ZINC000646027615 453022388 /nfs/dbraw/zinc/02/23/88/453022388.db2.gz SKIHXMZIGPMQPY-MRXNPFEDSA-N 2 1 327.513 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CCC(C)(C)C)C1 ZINC000646027615 453022395 /nfs/dbraw/zinc/02/23/95/453022395.db2.gz SKIHXMZIGPMQPY-MRXNPFEDSA-N 2 1 327.513 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CCC(C)(C)C)C1 ZINC000646027615 453022401 /nfs/dbraw/zinc/02/24/01/453022401.db2.gz SKIHXMZIGPMQPY-MRXNPFEDSA-N 2 1 327.513 1.827 20 0 EDADMP COc1cccc([C@]2(C)CC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)c1 ZINC000662309640 453029159 /nfs/dbraw/zinc/02/91/59/453029159.db2.gz BIHVTJXKLPPYPM-LJQANCHMSA-N 2 1 331.460 1.481 20 0 EDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)[C@@H]1CCC[NH3+] ZINC000662315784 453032277 /nfs/dbraw/zinc/03/22/77/453032277.db2.gz VAFRXIWEVWESNW-OWCLPIDISA-N 2 1 331.526 1.497 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CN(c3ccccc3)CCO2)CCO1 ZINC000662326575 453046285 /nfs/dbraw/zinc/04/62/85/453046285.db2.gz WEDNZFXDOHEESG-VQTJNVASSA-N 2 1 347.503 1.934 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CN(c3ccccc3)CCO2)CCO1 ZINC000662326575 453046297 /nfs/dbraw/zinc/04/62/97/453046297.db2.gz WEDNZFXDOHEESG-VQTJNVASSA-N 2 1 347.503 1.934 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000666670102 453055076 /nfs/dbraw/zinc/05/50/76/453055076.db2.gz INCOICMGVLHKJX-ZDUSSCGKSA-N 2 1 339.488 1.427 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000666670102 453055080 /nfs/dbraw/zinc/05/50/80/453055080.db2.gz INCOICMGVLHKJX-ZDUSSCGKSA-N 2 1 339.488 1.427 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000662390536 453100880 /nfs/dbraw/zinc/10/08/80/453100880.db2.gz LPDUVJATGZSEKB-LJQANCHMSA-N 2 1 346.519 1.699 20 0 EDADMP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662401672 453112927 /nfs/dbraw/zinc/11/29/27/453112927.db2.gz ZEEJHSBNTZGDQB-ZWNOBZJWSA-N 2 1 326.238 1.659 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662401672 453112933 /nfs/dbraw/zinc/11/29/33/453112933.db2.gz ZEEJHSBNTZGDQB-ZWNOBZJWSA-N 2 1 326.238 1.659 20 0 EDADMP C[C@@H](NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000644196351 453126169 /nfs/dbraw/zinc/12/61/69/453126169.db2.gz BKQKZXZXRGOKHQ-UXLLHSPISA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000644196351 453126177 /nfs/dbraw/zinc/12/61/77/453126177.db2.gz BKQKZXZXRGOKHQ-UXLLHSPISA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000644196351 453126183 /nfs/dbraw/zinc/12/61/83/453126183.db2.gz BKQKZXZXRGOKHQ-UXLLHSPISA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000644196351 453126187 /nfs/dbraw/zinc/12/61/87/453126187.db2.gz BKQKZXZXRGOKHQ-UXLLHSPISA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](Cn2cc([C@H]([NH3+])c3ccc(F)cc3)nn2)C1 ZINC000656448925 453189052 /nfs/dbraw/zinc/18/90/52/453189052.db2.gz PYPIEVYGTRBYAF-SJLPKXTDSA-N 2 1 347.438 1.822 20 0 EDADMP [NH3+][C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1Br ZINC000662514691 453232655 /nfs/dbraw/zinc/23/26/55/453232655.db2.gz NXISODNQCUSVQY-ZFWWWQNUSA-N 2 1 338.249 1.661 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653059123 453236978 /nfs/dbraw/zinc/23/69/78/453236978.db2.gz VPKBMWNVSCZJIY-DLBZAZTESA-N 2 1 335.492 1.668 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000660362634 453246660 /nfs/dbraw/zinc/24/66/60/453246660.db2.gz RKQQEVPWXCMGHI-GOSISDBHSA-N 2 1 345.491 1.830 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000664639212 453275514 /nfs/dbraw/zinc/27/55/14/453275514.db2.gz DLOKALLFTOSWJE-GVDBMIGSSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000664639212 453275516 /nfs/dbraw/zinc/27/55/16/453275516.db2.gz DLOKALLFTOSWJE-GVDBMIGSSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@H]1CCO[C@@H](C)C1 ZINC000664639213 453276415 /nfs/dbraw/zinc/27/64/15/453276415.db2.gz DLOKALLFTOSWJE-ULQDDVLXSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@H]1CCO[C@@H](C)C1 ZINC000664639213 453276419 /nfs/dbraw/zinc/27/64/19/453276419.db2.gz DLOKALLFTOSWJE-ULQDDVLXSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662550555 453280655 /nfs/dbraw/zinc/28/06/55/453280655.db2.gz DDTXIEBJBZYOLQ-OPQQBVKSSA-N 2 1 326.238 1.645 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666973081 453287654 /nfs/dbraw/zinc/28/76/54/453287654.db2.gz OODJBXMJBMGJOI-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662560794 453289812 /nfs/dbraw/zinc/28/98/12/453289812.db2.gz HLYBXKVESKEXBE-CBAPKCEASA-N 2 1 344.278 1.984 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653109189 453293770 /nfs/dbraw/zinc/29/37/70/453293770.db2.gz WVPMIDMQAMJBKX-RTBURBONSA-N 2 1 343.471 1.666 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666977518 453296650 /nfs/dbraw/zinc/29/66/50/453296650.db2.gz BSIRAUCCFTUCLB-IRXDYDNUSA-N 2 1 338.496 1.365 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000653113738 453300949 /nfs/dbraw/zinc/30/09/49/453300949.db2.gz MXCKQGRFJBKHGV-OAHLLOKOSA-N 2 1 325.403 1.651 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000653113738 453300956 /nfs/dbraw/zinc/30/09/56/453300956.db2.gz MXCKQGRFJBKHGV-OAHLLOKOSA-N 2 1 325.403 1.651 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)CCCO1 ZINC000662574796 453301968 /nfs/dbraw/zinc/30/19/68/453301968.db2.gz KRAXYVVWUQIUIE-GXFFZTMASA-N 2 1 342.237 1.025 20 0 EDADMP C[NH+](C)CC[C@@H](N)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000653117422 453304403 /nfs/dbraw/zinc/30/44/03/453304403.db2.gz LJPWLFGQNWTWLC-QGZVFWFLSA-N 2 1 332.492 1.388 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@H+]1Cc1ccccc1 ZINC000653117729 453307273 /nfs/dbraw/zinc/30/72/73/453307273.db2.gz UQMPAOINISKQSC-CAIZAGQASA-N 2 1 343.471 1.392 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000653124714 453317594 /nfs/dbraw/zinc/31/75/94/453317594.db2.gz FRJLWXXFALAURU-FUHWJXTLSA-N 2 1 330.476 1.890 20 0 EDADMP c1cc(N2CCC[C@H](C3CC[NH2+]CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000656609763 453317960 /nfs/dbraw/zinc/31/79/60/453317960.db2.gz UBNZJJRKNPAQDV-INIZCTEOSA-N 2 1 331.464 1.529 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000662592239 453319186 /nfs/dbraw/zinc/31/91/86/453319186.db2.gz IICFEEFMOUBABE-UONOGXRCSA-N 2 1 334.468 1.053 20 0 EDADMP O=C(CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1cnccn1 ZINC000660481651 453337045 /nfs/dbraw/zinc/33/70/45/453337045.db2.gz UPGKBCYIEXBBRQ-CQSZACIVSA-N 2 1 340.431 1.828 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)[C@H](N)CC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000653158197 453350890 /nfs/dbraw/zinc/35/08/90/453350890.db2.gz XIJJXWBTUQAQSC-NZSAHSFTSA-N 3 1 346.519 1.682 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000662658404 453370647 /nfs/dbraw/zinc/37/06/47/453370647.db2.gz FEHMEAJXMCMBHJ-QWFCFKBJSA-N 2 1 327.472 1.761 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)[NH+]1CCOCC1 ZINC000653194304 453384207 /nfs/dbraw/zinc/38/42/07/453384207.db2.gz BYJURVPUHPSCNT-LNLFQRSKSA-N 2 1 337.508 1.711 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000653202937 453398373 /nfs/dbraw/zinc/39/83/73/453398373.db2.gz VTPIGKOFVQOYPB-JFUJAIADSA-N 2 1 327.472 1.962 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3[NH2+]CCC3(C)C)cc2)CC1 ZINC000662694625 453416528 /nfs/dbraw/zinc/41/65/28/453416528.db2.gz YMZONGMQCWRQKC-MRXNPFEDSA-N 2 1 344.459 1.401 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667119513 453416763 /nfs/dbraw/zinc/41/67/63/453416763.db2.gz SHMMQNZSVFTZJM-OAHLLOKOSA-N 2 1 332.448 1.320 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000662717923 453442214 /nfs/dbraw/zinc/44/22/14/453442214.db2.gz DVABZGUNBBZGMD-BGTYHANMSA-N 2 1 331.460 1.520 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@@H]1C ZINC000662743745 453470559 /nfs/dbraw/zinc/47/05/59/453470559.db2.gz UDTOHSZHORNBHX-JYJNAYRXSA-N 2 1 348.495 1.538 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662745123 453474121 /nfs/dbraw/zinc/47/41/21/453474121.db2.gz VFTGMMXXMAQHEM-FHWLQOOXSA-N 2 1 344.503 1.307 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662745123 453474130 /nfs/dbraw/zinc/47/41/30/453474130.db2.gz VFTGMMXXMAQHEM-FHWLQOOXSA-N 2 1 344.503 1.307 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000646664118 453549169 /nfs/dbraw/zinc/54/91/69/453549169.db2.gz YHYDMOXZUQLCDO-JQHSSLGASA-N 2 1 330.476 1.798 20 0 EDADMP CCC[C@@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)CC[N@H+]1CCOC ZINC000662826018 453553810 /nfs/dbraw/zinc/55/38/10/453553810.db2.gz QPMDMGBBSPZXOD-MRXNPFEDSA-N 2 1 331.460 1.863 20 0 EDADMP O=C(CC1CC[NH2+]CC1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662857592 453574340 /nfs/dbraw/zinc/57/43/40/453574340.db2.gz BLOJKULRGVREIH-GOSISDBHSA-N 2 1 331.460 1.259 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1C ZINC000659038601 453593644 /nfs/dbraw/zinc/59/36/44/453593644.db2.gz TVOJDLRRQSRLDX-JKIFEVAISA-N 2 1 332.448 1.904 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000665211383 453609277 /nfs/dbraw/zinc/60/92/77/453609277.db2.gz VFGAJBJERQOJAG-HRCADAONSA-N 2 1 342.528 1.904 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000665211383 453609283 /nfs/dbraw/zinc/60/92/83/453609283.db2.gz VFGAJBJERQOJAG-HRCADAONSA-N 2 1 342.528 1.904 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000662940368 453616007 /nfs/dbraw/zinc/61/60/07/453616007.db2.gz MUPJSWLAGKHRPP-ICSRJNTNSA-N 2 1 344.503 1.309 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000662940368 453616011 /nfs/dbraw/zinc/61/60/11/453616011.db2.gz MUPJSWLAGKHRPP-ICSRJNTNSA-N 2 1 344.503 1.309 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000659096385 453628912 /nfs/dbraw/zinc/62/89/12/453628912.db2.gz PWBLHRGUBHKAOK-AWEZNQCLSA-N 2 1 344.459 1.260 20 0 EDADMP [NH3+]C1(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)Cc2ccccc2C1 ZINC000663000562 453642738 /nfs/dbraw/zinc/64/27/38/453642738.db2.gz JNCHAWBRKGFQMK-INIZCTEOSA-N 2 1 327.472 1.721 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000663004074 453644563 /nfs/dbraw/zinc/64/45/63/453644563.db2.gz PBEPIAMRIQRSCD-AEFFLSMTSA-N 2 1 345.491 1.659 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000660934004 453652423 /nfs/dbraw/zinc/65/24/23/453652423.db2.gz JBESKRHHZJHQCY-JYJNAYRXSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000660934004 453652426 /nfs/dbraw/zinc/65/24/26/453652426.db2.gz JBESKRHHZJHQCY-JYJNAYRXSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000665356449 453664517 /nfs/dbraw/zinc/66/45/17/453664517.db2.gz PLTRYSUUSVXABK-GJZGRUSLSA-N 2 1 326.485 1.005 20 0 EDADMP CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cnc[nH]1 ZINC000661087042 453708554 /nfs/dbraw/zinc/70/85/54/453708554.db2.gz MQAVBFJZNZQEHP-UHFFFAOYSA-N 2 1 341.459 1.754 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665556556 453748790 /nfs/dbraw/zinc/74/87/90/453748790.db2.gz ZKTXNMDGAYSTOE-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N(C)CC2C[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000661193915 453753712 /nfs/dbraw/zinc/75/37/12/453753712.db2.gz VEMCBMRVXQTCOF-CRAIPNDOSA-N 2 1 330.476 1.852 20 0 EDADMP Cn1ncc(C(F)(F)F)c1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000657348139 453770626 /nfs/dbraw/zinc/77/06/26/453770626.db2.gz LNXNQXPAVWWCNL-UHFFFAOYSA-N 2 1 347.429 1.802 20 0 EDADMP CC[C@@H]1CO[C@@H](C)CN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665636657 453777586 /nfs/dbraw/zinc/77/75/86/453777586.db2.gz FMFVFJLPZZKDOA-HRCADAONSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@@H]1CO[C@@H](C)CN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665636657 453777590 /nfs/dbraw/zinc/77/75/90/453777590.db2.gz FMFVFJLPZZKDOA-HRCADAONSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1CCS(=O)(=O)CC1 ZINC000663464088 453804135 /nfs/dbraw/zinc/80/41/35/453804135.db2.gz CFDXTAVSNCDDGC-GDBMZVCRSA-N 2 1 328.522 1.911 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCS(=O)(=O)CC1 ZINC000663464088 453804136 /nfs/dbraw/zinc/80/41/36/453804136.db2.gz CFDXTAVSNCDDGC-GDBMZVCRSA-N 2 1 328.522 1.911 20 0 EDADMP CO[C@@]1(CO)CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000661389188 453805462 /nfs/dbraw/zinc/80/54/62/453805462.db2.gz IUFXBWRZKDZGKB-IBGZPJMESA-N 2 1 334.460 1.492 20 0 EDADMP CO[C@@]1(CO)CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000661389188 453805464 /nfs/dbraw/zinc/80/54/64/453805464.db2.gz IUFXBWRZKDZGKB-IBGZPJMESA-N 2 1 334.460 1.492 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2-n2cncn2)CCCO1 ZINC000683343867 486693049 /nfs/dbraw/zinc/69/30/49/486693049.db2.gz AHEFDANQURPJOY-MRXNPFEDSA-N 2 1 329.448 1.858 20 0 EDADMP C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000683375564 486699738 /nfs/dbraw/zinc/69/97/38/486699738.db2.gz DRWUXPOPXCEGEJ-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000676245116 486705332 /nfs/dbraw/zinc/70/53/32/486705332.db2.gz FFZZTYSBKOLQMX-ARFHVFGLSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676245116 486705337 /nfs/dbraw/zinc/70/53/37/486705337.db2.gz FFZZTYSBKOLQMX-ARFHVFGLSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676245116 486705342 /nfs/dbraw/zinc/70/53/42/486705342.db2.gz FFZZTYSBKOLQMX-ARFHVFGLSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676245116 486705346 /nfs/dbraw/zinc/70/53/46/486705346.db2.gz FFZZTYSBKOLQMX-ARFHVFGLSA-N 2 1 326.485 1.269 20 0 EDADMP c1cc(N2CCOCC2)nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)[nH+]1 ZINC000676311343 486732836 /nfs/dbraw/zinc/73/28/36/486732836.db2.gz PGFNYIVPIUYYQJ-HNNXBMFYSA-N 2 1 347.463 1.226 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)C1(C)C ZINC000572839966 486734881 /nfs/dbraw/zinc/73/48/81/486734881.db2.gz FOGNVGSERIYWAD-RDTXWAMCSA-N 2 1 349.479 1.038 20 0 EDADMP CC1(C)CC(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000672663462 486756179 /nfs/dbraw/zinc/75/61/79/486756179.db2.gz KYWYKYYAMIIHKN-UHFFFAOYSA-N 2 1 340.512 1.394 20 0 EDADMP CN1CC[NH+](CC2(C)CC[NH+](CCCCS(C)(=O)=O)CC2)CC1 ZINC000680432267 486774218 /nfs/dbraw/zinc/77/42/18/486774218.db2.gz UDGYKGSHMDHMRV-UHFFFAOYSA-N 2 1 345.553 1.161 20 0 EDADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000672753963 486791168 /nfs/dbraw/zinc/79/11/68/486791168.db2.gz DBFKUSJTFCGKGS-NVXWUHKLSA-N 2 1 334.464 1.691 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1Cc1ccccc1 ZINC000672754047 486790444 /nfs/dbraw/zinc/79/04/44/486790444.db2.gz LNLQBPKHWJHPGF-MSOLQXFVSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)C[C@@H]1Cc1ccccc1 ZINC000672754047 486790448 /nfs/dbraw/zinc/79/04/48/486790448.db2.gz LNLQBPKHWJHPGF-MSOLQXFVSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000672754047 486790450 /nfs/dbraw/zinc/79/04/50/486790450.db2.gz LNLQBPKHWJHPGF-MSOLQXFVSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000672754047 486790454 /nfs/dbraw/zinc/79/04/54/486790454.db2.gz LNLQBPKHWJHPGF-MSOLQXFVSA-N 2 1 330.476 1.649 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)CC[C@H]3CCCC[NH+]3C)C2)CC1 ZINC000672889237 486831910 /nfs/dbraw/zinc/83/19/10/486831910.db2.gz MKNVSGTWWSZCHZ-IAGOWNOFSA-N 2 1 336.524 1.536 20 0 EDADMP CN1CCC([NH+]2CC[C@@H](NC(=O)CC[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000672889237 486831916 /nfs/dbraw/zinc/83/19/16/486831916.db2.gz MKNVSGTWWSZCHZ-IAGOWNOFSA-N 2 1 336.524 1.536 20 0 EDADMP CN1CCC([NH+]2CC[C@@H](NC(=O)CC[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000672889237 486831919 /nfs/dbraw/zinc/83/19/19/486831919.db2.gz MKNVSGTWWSZCHZ-IAGOWNOFSA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CC[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000672889237 486831925 /nfs/dbraw/zinc/83/19/25/486831925.db2.gz MKNVSGTWWSZCHZ-IAGOWNOFSA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CC[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000672889237 486831929 /nfs/dbraw/zinc/83/19/29/486831929.db2.gz MKNVSGTWWSZCHZ-IAGOWNOFSA-N 2 1 336.524 1.536 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000667742335 486943122 /nfs/dbraw/zinc/94/31/22/486943122.db2.gz PBKNJWOSMLAWBB-SFHVURJKSA-N 2 1 344.459 1.661 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000684119719 486952196 /nfs/dbraw/zinc/95/21/96/486952196.db2.gz XVOODTNRCZMKQD-SOUVJXGZSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000684119719 486952200 /nfs/dbraw/zinc/95/22/00/486952200.db2.gz XVOODTNRCZMKQD-SOUVJXGZSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000684119719 486952206 /nfs/dbraw/zinc/95/22/06/486952206.db2.gz XVOODTNRCZMKQD-SOUVJXGZSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000684119719 486952211 /nfs/dbraw/zinc/95/22/11/486952211.db2.gz XVOODTNRCZMKQD-SOUVJXGZSA-N 2 1 326.485 1.125 20 0 EDADMP O=C(NCC[NH+]1CCC1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000677010222 486953745 /nfs/dbraw/zinc/95/37/45/486953745.db2.gz XXGRUDIPCUROPP-GOSISDBHSA-N 2 1 330.476 1.904 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](OC)C1CCC1 ZINC000667812293 486976217 /nfs/dbraw/zinc/97/62/17/486976217.db2.gz IVGVTALTLZIKEX-DLBZAZTESA-N 2 1 325.497 1.676 20 0 EDADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CNc3ccnn3C2)C1 ZINC000684201671 486983666 /nfs/dbraw/zinc/98/36/66/486983666.db2.gz QILFQCPDLUBCIM-ZWKOTPCHSA-N 2 1 340.475 1.774 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CNc3ccnn3C2)C1 ZINC000684201671 486983671 /nfs/dbraw/zinc/98/36/71/486983671.db2.gz QILFQCPDLUBCIM-ZWKOTPCHSA-N 2 1 340.475 1.774 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H]2CNc3ccnn3C2)C1 ZINC000684201671 486983677 /nfs/dbraw/zinc/98/36/77/486983677.db2.gz QILFQCPDLUBCIM-ZWKOTPCHSA-N 2 1 340.475 1.774 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H]2CNc3ccnn3C2)C1 ZINC000684201671 486983683 /nfs/dbraw/zinc/98/36/83/486983683.db2.gz QILFQCPDLUBCIM-ZWKOTPCHSA-N 2 1 340.475 1.774 20 0 EDADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673666860 487083277 /nfs/dbraw/zinc/08/32/77/487083277.db2.gz KSBLNFPAAASOIE-UYAOXDASSA-N 2 1 343.471 1.224 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000673666860 487083282 /nfs/dbraw/zinc/08/32/82/487083282.db2.gz KSBLNFPAAASOIE-UYAOXDASSA-N 2 1 343.471 1.224 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000673666860 487083285 /nfs/dbraw/zinc/08/32/85/487083285.db2.gz KSBLNFPAAASOIE-UYAOXDASSA-N 2 1 343.471 1.224 20 0 EDADMP CN(CCC[N@H+](C)Cc1cc(C(F)(F)F)nn1C)CC[NH+](C)C ZINC000668176186 487130504 /nfs/dbraw/zinc/13/05/04/487130504.db2.gz MKGOKXPOECOFHZ-UHFFFAOYSA-N 2 1 335.418 1.754 20 0 EDADMP CN(CCC[N@@H+](C)Cc1cc(C(F)(F)F)nn1C)CC[NH+](C)C ZINC000668176186 487130508 /nfs/dbraw/zinc/13/05/08/487130508.db2.gz MKGOKXPOECOFHZ-UHFFFAOYSA-N 2 1 335.418 1.754 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCO[C@@H]3C3CC3)C2)CC1 ZINC000677653220 487141664 /nfs/dbraw/zinc/14/16/64/487141664.db2.gz BKOSFOQQEQITHX-BHYGNILZSA-N 2 1 336.480 1.022 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CCO[C@@H]3C3CC3)C2)CC1 ZINC000677653220 487141668 /nfs/dbraw/zinc/14/16/68/487141668.db2.gz BKOSFOQQEQITHX-BHYGNILZSA-N 2 1 336.480 1.022 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000677798889 487170436 /nfs/dbraw/zinc/17/04/36/487170436.db2.gz DQDBKRWVRICLKN-OGWHTMIXSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000677798889 487170440 /nfs/dbraw/zinc/17/04/40/487170440.db2.gz DQDBKRWVRICLKN-OGWHTMIXSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000677798889 487170442 /nfs/dbraw/zinc/17/04/42/487170442.db2.gz DQDBKRWVRICLKN-OGWHTMIXSA-N 2 1 345.487 1.611 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCSC1 ZINC000673979703 487175904 /nfs/dbraw/zinc/17/59/04/487175904.db2.gz IXXFCEMCDMCVJT-ZBFHGGJFSA-N 2 1 326.510 1.207 20 0 EDADMP NS(=O)(=O)c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1Cl ZINC000685325219 487260038 /nfs/dbraw/zinc/26/00/38/487260038.db2.gz JLCRGLCEUHITFZ-GFCCVEGCSA-N 2 1 343.880 1.561 20 0 EDADMP NS(=O)(=O)c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1Cl ZINC000685325219 487260043 /nfs/dbraw/zinc/26/00/43/487260043.db2.gz JLCRGLCEUHITFZ-GFCCVEGCSA-N 2 1 343.880 1.561 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)[N@H+](C)C1 ZINC000500379294 487395521 /nfs/dbraw/zinc/39/55/21/487395521.db2.gz MUYOZYFHYLLULT-LAQRGFTBSA-N 2 1 333.476 1.822 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)[N@@H+](C)C1 ZINC000500379294 487395523 /nfs/dbraw/zinc/39/55/23/487395523.db2.gz MUYOZYFHYLLULT-LAQRGFTBSA-N 2 1 333.476 1.822 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1=CC[N@H+](C)CC1 ZINC000679710194 487460084 /nfs/dbraw/zinc/46/00/84/487460084.db2.gz QLSZEUUHRXJVJC-NVXWUHKLSA-N 2 1 336.480 1.143 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1=CC[N@@H+](C)CC1 ZINC000679710194 487460086 /nfs/dbraw/zinc/46/00/86/487460086.db2.gz QLSZEUUHRXJVJC-NVXWUHKLSA-N 2 1 336.480 1.143 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Cc1ccc(F)cc1 ZINC000669518041 485483648 /nfs/dbraw/zinc/48/36/48/485483648.db2.gz UPAKNEPQBINUJQ-RDJZCZTQSA-N 2 1 334.439 1.651 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Cc1ccc(F)cc1 ZINC000669518042 485483735 /nfs/dbraw/zinc/48/37/35/485483735.db2.gz UPAKNEPQBINUJQ-WBVHZDCISA-N 2 1 334.439 1.651 20 0 EDADMP Cc1ccc(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000669555772 485557296 /nfs/dbraw/zinc/55/72/96/485557296.db2.gz GPKVHGPMDNKLAW-ZBFHGGJFSA-N 2 1 331.464 1.917 20 0 EDADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)N[C@H]1CCC[NH2+]CC1 ZINC000669556100 485558938 /nfs/dbraw/zinc/55/89/38/485558938.db2.gz HBTVYHMAPXEGOA-ROUUACIJSA-N 2 1 346.475 1.195 20 0 EDADMP C[NH2+]CCNC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000669557174 485559828 /nfs/dbraw/zinc/55/98/28/485559828.db2.gz WSJZDXGUOZZOCZ-OKZBNKHCSA-N 2 1 330.476 1.806 20 0 EDADMP O=C(NCC1C[NH2+]C1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000669556897 485560043 /nfs/dbraw/zinc/56/00/43/485560043.db2.gz NDQOLSCWKAALNM-GBESFXJTSA-N 2 1 342.487 1.806 20 0 EDADMP [NH3+]CCCNC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000669557205 485561006 /nfs/dbraw/zinc/56/10/06/485561006.db2.gz YJKWRPKZNIHIGI-KZNAEPCWSA-N 2 1 330.476 1.935 20 0 EDADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000669610181 485717867 /nfs/dbraw/zinc/71/78/67/485717867.db2.gz SGIOBAVYQPREPH-INIZCTEOSA-N 2 1 339.528 1.184 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427179253 485888456 /nfs/dbraw/zinc/88/84/56/485888456.db2.gz PQMBRYPFYDVKOX-QZTJIDSGSA-N 2 1 337.508 1.964 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000344684720 485948938 /nfs/dbraw/zinc/94/89/38/485948938.db2.gz IBDDRJKGELFIRG-MSOLQXFVSA-N 2 1 337.508 1.676 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000516175594 486062043 /nfs/dbraw/zinc/06/20/43/486062043.db2.gz QKIVEQSZYALPDA-FGTMMUONSA-N 2 1 334.460 1.789 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000516175594 486062054 /nfs/dbraw/zinc/06/20/54/486062054.db2.gz QKIVEQSZYALPDA-FGTMMUONSA-N 2 1 334.460 1.789 20 0 EDADMP [NH3+][C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000669420212 486139364 /nfs/dbraw/zinc/13/93/64/486139364.db2.gz DVXPNBTUPHPXDX-WMZOPIPTSA-N 2 1 330.476 1.935 20 0 EDADMP CN(c1nnc([C@@H]2C[NH+]3CCC[C@@H]3CO2)n1C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000668931669 486357290 /nfs/dbraw/zinc/35/72/90/486357290.db2.gz KYBMGJCYPBJOOI-XHSDSOJGSA-N 2 1 346.479 1.024 20 0 EDADMP CN(c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C)[C@H]1CC[NH+](C2CC2)C1 ZINC000668931669 486357295 /nfs/dbraw/zinc/35/72/95/486357295.db2.gz KYBMGJCYPBJOOI-XHSDSOJGSA-N 2 1 346.479 1.024 20 0 EDADMP CN(c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1C)[C@H]1CC[NH+](C2CC2)C1 ZINC000668931669 486357298 /nfs/dbraw/zinc/35/72/98/486357298.db2.gz KYBMGJCYPBJOOI-XHSDSOJGSA-N 2 1 346.479 1.024 20 0 EDADMP C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000133016677 491218950 /nfs/dbraw/zinc/21/89/50/491218950.db2.gz WSLFKAPDLXMIMI-TZMCWYRMSA-N 2 1 326.485 1.314 20 0 EDADMP C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000133016677 491218951 /nfs/dbraw/zinc/21/89/51/491218951.db2.gz WSLFKAPDLXMIMI-TZMCWYRMSA-N 2 1 326.485 1.314 20 0 EDADMP C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1)N1CC[NH+](C)CC1 ZINC000363011412 518181501 /nfs/dbraw/zinc/18/15/01/518181501.db2.gz IWELUMMARPFQQQ-MSOLQXFVSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000153286296 534448413 /nfs/dbraw/zinc/44/84/13/534448413.db2.gz ZSUQGHCUYOFRKC-HOSILWTGSA-N 2 1 336.432 1.473 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000187085314 528537499 /nfs/dbraw/zinc/53/74/99/528537499.db2.gz FKKRYDRHJDCHRC-MRXNPFEDSA-N 2 1 340.443 1.042 20 0 EDADMP CCC(CC)(C[NH3+])C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000236689107 534934491 /nfs/dbraw/zinc/93/44/91/534934491.db2.gz PMUCKSJYROLPFD-UHFFFAOYSA-N 2 1 333.476 1.900 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000236609896 535175680 /nfs/dbraw/zinc/17/56/80/535175680.db2.gz COUQNCSFIJRSLE-CQSZACIVSA-N 2 1 334.468 1.053 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346241721 535210500 /nfs/dbraw/zinc/21/05/00/535210500.db2.gz QTJOIFSRTGLTEZ-YYIAUSFCSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346241721 535210506 /nfs/dbraw/zinc/21/05/06/535210506.db2.gz QTJOIFSRTGLTEZ-YYIAUSFCSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346241721 535210509 /nfs/dbraw/zinc/21/05/09/535210509.db2.gz QTJOIFSRTGLTEZ-YYIAUSFCSA-N 2 1 325.497 1.578 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346241721 535210512 /nfs/dbraw/zinc/21/05/12/535210512.db2.gz QTJOIFSRTGLTEZ-YYIAUSFCSA-N 2 1 325.497 1.578 20 0 EDADMP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)cc1 ZINC000262318954 535554090 /nfs/dbraw/zinc/55/40/90/535554090.db2.gz RCYRBYMERVKADG-QAPCUYQASA-N 2 1 349.475 1.400 20 0 EDADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000344810602 535593645 /nfs/dbraw/zinc/59/36/45/535593645.db2.gz HLHOEEDLOBWYLE-GDBMZVCRSA-N 2 1 336.480 1.074 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCC[NH+]1CCSCC1)C1CCCCC1 ZINC000352657805 536129688 /nfs/dbraw/zinc/12/96/88/536129688.db2.gz WDAPVRFUUKTZTG-INIZCTEOSA-N 2 1 342.553 1.845 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353098968 536365931 /nfs/dbraw/zinc/36/59/31/536365931.db2.gz SXLHCUQZIKNFSQ-UHFFFAOYSA-N 2 1 338.496 1.367 20 0 EDADMP C[N@@H+](CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)Cc1ccccc1 ZINC000262740951 536384852 /nfs/dbraw/zinc/38/48/52/536384852.db2.gz JHVNJPKWRKITCI-KRWDZBQOSA-N 2 1 341.459 1.669 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)o1 ZINC000262276297 536666081 /nfs/dbraw/zinc/66/60/81/536666081.db2.gz TWVOQDXNHJHUPP-UKRRQHHQSA-N 2 1 349.431 1.146 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@H](C)O)[C@H](CC)C1 ZINC000742780639 579462309 /nfs/dbraw/zinc/46/23/09/579462309.db2.gz MUYFGZAGGBYESI-DLBZAZTESA-N 2 1 327.513 1.802 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000742780639 579462310 /nfs/dbraw/zinc/46/23/10/579462310.db2.gz MUYFGZAGGBYESI-DLBZAZTESA-N 2 1 327.513 1.802 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000742780639 579462315 /nfs/dbraw/zinc/46/23/15/579462315.db2.gz MUYFGZAGGBYESI-DLBZAZTESA-N 2 1 327.513 1.802 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000727931736 578541250 /nfs/dbraw/zinc/54/12/50/578541250.db2.gz QWOHSNFBGWJIBK-UHFFFAOYSA-N 2 1 329.466 1.304 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000729618158 578584780 /nfs/dbraw/zinc/58/47/80/578584780.db2.gz HKISIHGUYPRNNN-BRWVUGGUSA-N 2 1 336.480 1.119 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729683383 578587312 /nfs/dbraw/zinc/58/73/12/578587312.db2.gz MCQLPKZVDOMTJE-ARFHVFGLSA-N 2 1 339.480 1.839 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729683383 578587313 /nfs/dbraw/zinc/58/73/13/578587313.db2.gz MCQLPKZVDOMTJE-ARFHVFGLSA-N 2 1 339.480 1.839 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=S)NCC[NH+](C)C)[C@H](C)C1 ZINC000734386759 578812702 /nfs/dbraw/zinc/81/27/02/578812702.db2.gz VEQGRKNYQMZBOK-CABCVRRESA-N 2 1 330.542 1.149 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736149045 578957734 /nfs/dbraw/zinc/95/77/34/578957734.db2.gz RAUQPKDXLPBQID-CQSZACIVSA-N 2 1 344.463 1.391 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739447016 579206629 /nfs/dbraw/zinc/20/66/29/579206629.db2.gz ACJPNIJRPVJMSY-MRXNPFEDSA-N 2 1 340.537 1.001 20 0 EDADMP CC(C)C[C@@H]1CC(=O)N(C[NH+]2CCC(OCC[NH+](C)C)CC2)C1 ZINC000744435483 579510747 /nfs/dbraw/zinc/51/07/47/579510747.db2.gz VUWOWLCVRKCVNJ-MRXNPFEDSA-N 2 1 325.497 1.881 20 0 EDADMP C[C@H](CNC(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000747553943 579648715 /nfs/dbraw/zinc/64/87/15/579648715.db2.gz AVZUYFPLDJGJGG-LSDHHAIUSA-N 2 1 336.484 1.829 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000748982723 579709309 /nfs/dbraw/zinc/70/93/09/579709309.db2.gz LJLOGAVSNOHFPD-HNNXBMFYSA-N 2 1 346.475 1.596 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC000748993824 579709517 /nfs/dbraw/zinc/70/95/17/579709517.db2.gz FZFQLYNMZMUJMN-PKOBYXMFSA-N 2 1 345.487 1.585 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC000748993824 579709518 /nfs/dbraw/zinc/70/95/18/579709518.db2.gz FZFQLYNMZMUJMN-PKOBYXMFSA-N 2 1 345.487 1.585 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC000748993816 579709555 /nfs/dbraw/zinc/70/95/55/579709555.db2.gz FZFQLYNMZMUJMN-HKUYNNGSSA-N 2 1 345.487 1.585 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC000748993816 579709556 /nfs/dbraw/zinc/70/95/56/579709556.db2.gz FZFQLYNMZMUJMN-HKUYNNGSSA-N 2 1 345.487 1.585 20 0 EDADMP CN1CC[NH+](CC2(C)CC[NH+](CN3C[C@H](C4CC4)CC3=O)CC2)CC1 ZINC000758251343 579978543 /nfs/dbraw/zinc/97/85/43/579978543.db2.gz DHDRSGJEZKIQLJ-GOSISDBHSA-N 2 1 348.535 1.552 20 0 EDADMP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000780068912 580511008 /nfs/dbraw/zinc/51/10/08/580511008.db2.gz HIUUSWYCAZJUTJ-GOSISDBHSA-N 2 1 346.475 1.084 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000780068912 580511009 /nfs/dbraw/zinc/51/10/09/580511009.db2.gz HIUUSWYCAZJUTJ-GOSISDBHSA-N 2 1 346.475 1.084 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCCOC1 ZINC000793328797 580842268 /nfs/dbraw/zinc/84/22/68/580842268.db2.gz FRAVYHINGGJGSJ-SJORKVTESA-N 2 1 325.497 1.678 20 0 EDADMP CON(C)C(=O)CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000796277455 580949846 /nfs/dbraw/zinc/94/98/46/580949846.db2.gz YOCFLKJYDDFQGN-UHFFFAOYSA-N 2 1 348.491 1.146 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2cn(C)cn2)[C@@H](C)C1 ZINC000893051125 590634854 /nfs/dbraw/zinc/63/48/54/590634854.db2.gz RBDZZZXXCYHMIW-GOEBONIOSA-N 2 1 337.468 1.356 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC000891854045 590656584 /nfs/dbraw/zinc/65/65/84/590656584.db2.gz ABHSZTXBTJYNBZ-NXOAAHMSSA-N 2 1 338.496 1.317 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N(C)CCCCCC[NH3+])CCCO1 ZINC000891855284 590656706 /nfs/dbraw/zinc/65/67/06/590656706.db2.gz IHQCOJAVIIWOJK-INIZCTEOSA-N 2 1 328.501 1.648 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000891881478 590667991 /nfs/dbraw/zinc/66/79/91/590667991.db2.gz GAHBSYKAQDYCDB-INIZCTEOSA-N 2 1 330.476 1.828 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000891881478 590667995 /nfs/dbraw/zinc/66/79/95/590667995.db2.gz GAHBSYKAQDYCDB-INIZCTEOSA-N 2 1 330.476 1.828 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000891881478 590668001 /nfs/dbraw/zinc/66/80/01/590668001.db2.gz GAHBSYKAQDYCDB-INIZCTEOSA-N 2 1 330.476 1.828 20 0 EDADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCCc1cn2c(n1)CCCC2 ZINC000891990531 590731037 /nfs/dbraw/zinc/73/10/37/590731037.db2.gz VYIVJOJLRHDRPT-HOTGVXAUSA-N 2 1 331.464 1.640 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000892020427 590753193 /nfs/dbraw/zinc/75/31/93/590753193.db2.gz XBQZUTNBQQZFGJ-OTWHNJEPSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000892020427 590753195 /nfs/dbraw/zinc/75/31/95/590753195.db2.gz XBQZUTNBQQZFGJ-OTWHNJEPSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000892020427 590753197 /nfs/dbraw/zinc/75/31/97/590753197.db2.gz XBQZUTNBQQZFGJ-OTWHNJEPSA-N 2 1 342.487 1.997 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000892052641 590773393 /nfs/dbraw/zinc/77/33/93/590773393.db2.gz DPLDQFBINJLMGL-RDJZCZTQSA-N 2 1 330.476 1.935 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCC3=CC[NH2+]CC3)C2)cc1 ZINC000892067231 590782095 /nfs/dbraw/zinc/78/20/95/590782095.db2.gz RJVSJAOMMSHHMD-GOSISDBHSA-N 2 1 328.460 1.788 20 0 EDADMP CN(C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000892130589 590815189 /nfs/dbraw/zinc/81/51/89/590815189.db2.gz NZWYLYCVIJYGJC-GOSISDBHSA-N 2 1 345.491 1.782 20 0 EDADMP C[C@H](CNC(=O)N1CCCCC[C@@H]([NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232894 590877275 /nfs/dbraw/zinc/87/72/75/590877275.db2.gz OUNSKEFVVNEXQA-LVQVYYBASA-N 2 1 326.485 1.397 20 0 EDADMP C[C@H](CNC(=O)N1CCCCC[C@@H]([NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232894 590877279 /nfs/dbraw/zinc/87/72/79/590877279.db2.gz OUNSKEFVVNEXQA-LVQVYYBASA-N 2 1 326.485 1.397 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000892294556 590920222 /nfs/dbraw/zinc/92/02/22/590920222.db2.gz KFHNCJRUZDWXOB-KBAYOESNSA-N 2 1 346.475 1.042 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000893699216 591052414 /nfs/dbraw/zinc/05/24/14/591052414.db2.gz IFPVOMDFXBCIIU-ZACQAIPSSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000893699216 591052418 /nfs/dbraw/zinc/05/24/18/591052418.db2.gz IFPVOMDFXBCIIU-ZACQAIPSSA-N 2 1 338.496 1.413 20 0 EDADMP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000891546099 591118488 /nfs/dbraw/zinc/11/84/88/591118488.db2.gz PGUMFARYMJNCJA-QGZVFWFLSA-N 2 1 332.448 1.445 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000891598408 591143000 /nfs/dbraw/zinc/14/30/00/591143000.db2.gz SQWIKUODNSPKAN-INIZCTEOSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000891598408 591143004 /nfs/dbraw/zinc/14/30/04/591143004.db2.gz SQWIKUODNSPKAN-INIZCTEOSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@H+]2CCC(C)(C)C2)C1 ZINC000891598408 591143006 /nfs/dbraw/zinc/14/30/06/591143006.db2.gz SQWIKUODNSPKAN-INIZCTEOSA-N 2 1 340.512 1.374 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000891623145 591154505 /nfs/dbraw/zinc/15/45/05/591154505.db2.gz MFVCEHYCNQCEIN-IRXDYDNUSA-N 2 1 338.496 1.103 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000891673340 591179927 /nfs/dbraw/zinc/17/99/27/591179927.db2.gz KNQJEZDJMOSDHA-UWWQBHOKSA-N 2 1 330.476 1.728 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891798375 591227733 /nfs/dbraw/zinc/22/77/33/591227733.db2.gz MOUCVKNKGOSEDX-DZJNRPSUSA-N 2 1 328.460 1.653 20 0 EDADMP CN(C(=O)NCc1cccnc1N1CCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000895663904 591243169 /nfs/dbraw/zinc/24/31/69/591243169.db2.gz UKNFVJOTVXDXPP-MRXNPFEDSA-N 2 1 331.464 1.917 20 0 EDADMP C[NH+]1CC[C@H]1CNc1cc(NC[C@@H]2CC[N@@H+]2C)nc2cnccc21 ZINC000895768495 591269122 /nfs/dbraw/zinc/26/91/22/591269122.db2.gz CZKZNVDSHBZORG-KBPBESRZSA-N 2 1 326.448 1.862 20 0 EDADMP C[NH+]1CC[C@H]1CNc1cc(NC[C@@H]2CC[N@@H+]2C)c2ccncc2n1 ZINC000895768495 591269123 /nfs/dbraw/zinc/26/91/23/591269123.db2.gz CZKZNVDSHBZORG-KBPBESRZSA-N 2 1 326.448 1.862 20 0 EDADMP C[NH+]1CC[C@H]1CNc1cc(NC[C@@H]2CC[N@H+]2C)c2ccncc2n1 ZINC000895768495 591269124 /nfs/dbraw/zinc/26/91/24/591269124.db2.gz CZKZNVDSHBZORG-KBPBESRZSA-N 2 1 326.448 1.862 20 0 EDADMP COCCOc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)o1 ZINC000894465238 591318587 /nfs/dbraw/zinc/31/85/87/591318587.db2.gz JKNJKTODNYZDGA-UHFFFAOYSA-N 2 1 325.453 1.374 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NC[C@H]3CC[NH+]3C3CCCCCC3)C[C@H]2C1 ZINC000896238392 591397227 /nfs/dbraw/zinc/39/72/27/591397227.db2.gz VJLQTYGTXIPPNF-SOLBZPMBSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@H]3CC[N@@H+]3C3CCCCCC3)C[C@H]2C1 ZINC000896238392 591397229 /nfs/dbraw/zinc/39/72/29/591397229.db2.gz VJLQTYGTXIPPNF-SOLBZPMBSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@H]3CC[N@H+]3C3CCCCCC3)C[C@H]2C1 ZINC000896238392 591397234 /nfs/dbraw/zinc/39/72/34/591397234.db2.gz VJLQTYGTXIPPNF-SOLBZPMBSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896568955 591530929 /nfs/dbraw/zinc/53/09/29/591530929.db2.gz QJWSBIGWXQNDKZ-LPHOPBHVSA-N 2 1 344.503 1.647 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CCCC[NH+](C)C2)CC1 ZINC000897548830 591547652 /nfs/dbraw/zinc/54/76/52/591547652.db2.gz OYKQCIORZJLENN-INIZCTEOSA-N 2 1 340.512 1.207 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000897548830 591547653 /nfs/dbraw/zinc/54/76/53/591547653.db2.gz OYKQCIORZJLENN-INIZCTEOSA-N 2 1 340.512 1.207 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897548830 591547657 /nfs/dbraw/zinc/54/76/57/591547657.db2.gz OYKQCIORZJLENN-INIZCTEOSA-N 2 1 340.512 1.207 20 0 EDADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000895270146 591693758 /nfs/dbraw/zinc/69/37/58/591693758.db2.gz YAEKMUQGJBELKP-GDBMZVCRSA-N 2 1 334.489 1.556 20 0 EDADMP C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000895328496 591714730 /nfs/dbraw/zinc/71/47/30/591714730.db2.gz GPWCRCKCPKBMFH-HKUYNNGSSA-N 2 1 334.460 1.479 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000897237318 591782162 /nfs/dbraw/zinc/78/21/62/591782162.db2.gz GZMCVIJIRWAJRZ-IPMKNSEASA-N 2 1 345.487 1.595 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000897237318 591782165 /nfs/dbraw/zinc/78/21/65/591782165.db2.gz GZMCVIJIRWAJRZ-IPMKNSEASA-N 2 1 345.487 1.595 20 0 EDADMP CC[N@H+]1CC[C@H](NCc2cccc(N(C)S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000898285090 591853337 /nfs/dbraw/zinc/85/33/37/591853337.db2.gz SCSKZNSCADMFFJ-YOEHRIQHSA-N 2 1 339.505 1.902 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000898285090 591853342 /nfs/dbraw/zinc/85/33/42/591853342.db2.gz SCSKZNSCADMFFJ-YOEHRIQHSA-N 2 1 339.505 1.902 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000897356094 591901247 /nfs/dbraw/zinc/90/12/47/591901247.db2.gz MGSBJSVWMUUKAN-ZWKOTPCHSA-N 2 1 345.487 1.742 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000897356094 591901250 /nfs/dbraw/zinc/90/12/50/591901250.db2.gz MGSBJSVWMUUKAN-ZWKOTPCHSA-N 2 1 345.487 1.742 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000897356094 591901251 /nfs/dbraw/zinc/90/12/51/591901251.db2.gz MGSBJSVWMUUKAN-ZWKOTPCHSA-N 2 1 345.487 1.742 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900209149 591943628 /nfs/dbraw/zinc/94/36/28/591943628.db2.gz QBFLESYQIHIBLU-WWDZGPRUSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900214571 591945404 /nfs/dbraw/zinc/94/54/04/591945404.db2.gz FHEBRACNDQCRJM-SJLPKXTDSA-N 2 1 325.497 1.604 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900214571 591945406 /nfs/dbraw/zinc/94/54/06/591945406.db2.gz FHEBRACNDQCRJM-SJLPKXTDSA-N 2 1 325.497 1.604 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900214571 591945408 /nfs/dbraw/zinc/94/54/08/591945408.db2.gz FHEBRACNDQCRJM-SJLPKXTDSA-N 2 1 325.497 1.604 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900335580 591987493 /nfs/dbraw/zinc/98/74/93/591987493.db2.gz YWZNVOBZTBJRTC-KPFFTGBYSA-N 2 1 345.487 1.785 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900335580 591987495 /nfs/dbraw/zinc/98/74/95/591987495.db2.gz YWZNVOBZTBJRTC-KPFFTGBYSA-N 2 1 345.487 1.785 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900335580 591987499 /nfs/dbraw/zinc/98/74/99/591987499.db2.gz YWZNVOBZTBJRTC-KPFFTGBYSA-N 2 1 345.487 1.785 20 0 EDADMP C[C@@H]1CCC[C@](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)([NH+](C)C)C1 ZINC000900319928 591989617 /nfs/dbraw/zinc/98/96/17/591989617.db2.gz AVZQJBTVJCKIIX-BPQIPLTHSA-N 2 1 325.497 1.460 20 0 EDADMP O=C(NC1CC1)c1cc(N2CC[NH2+]CC[NH2+]CC2)nc2ccccc21 ZINC000900369848 591998752 /nfs/dbraw/zinc/99/87/52/591998752.db2.gz NGCBMKQDCZLWIJ-UHFFFAOYSA-N 2 1 339.443 1.126 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000900540657 592051636 /nfs/dbraw/zinc/05/16/36/592051636.db2.gz QWGPXJMFDGSRFI-UHFFFAOYSA-N 2 1 337.508 1.820 20 0 EDADMP COc1nc(C)cc(C)c1CONC(=[NH2+])[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902807732 592063887 /nfs/dbraw/zinc/06/38/87/592063887.db2.gz OSGJFIZWEINOLJ-DZGCQCFKSA-N 2 1 334.420 1.569 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000900687127 592094492 /nfs/dbraw/zinc/09/44/92/592094492.db2.gz QVJQACSTQLYOOW-MRXNPFEDSA-N 2 1 339.480 1.062 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C[C@H]1C(F)(F)F ZINC000903093767 592122110 /nfs/dbraw/zinc/12/21/10/592122110.db2.gz UOSFIMJXMFGFIY-UMSGYPCISA-N 2 1 340.386 1.409 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000903116553 592123271 /nfs/dbraw/zinc/12/32/71/592123271.db2.gz RSTIUIFEKOLFQW-WTGUMLROSA-N 3 1 335.536 1.930 20 0 EDADMP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CCN(CC3CC3)CC1)C2 ZINC000903116553 592123273 /nfs/dbraw/zinc/12/32/73/592123273.db2.gz RSTIUIFEKOLFQW-WTGUMLROSA-N 2 1 335.536 1.930 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CCN(CC3CC3)CC1)C2 ZINC000903116553 592123275 /nfs/dbraw/zinc/12/32/75/592123275.db2.gz RSTIUIFEKOLFQW-WTGUMLROSA-N 2 1 335.536 1.930 20 0 EDADMP O=C1COc2ccccc2CN1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903181856 592131905 /nfs/dbraw/zinc/13/19/05/592131905.db2.gz WRAVRGGVMWVDED-SJORKVTESA-N 2 1 329.444 1.624 20 0 EDADMP C[C@@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000900801534 592143216 /nfs/dbraw/zinc/14/32/16/592143216.db2.gz BLYKBNVFEOTNKS-RHSMWYFYSA-N 2 1 343.475 1.655 20 0 EDADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@]2(CO)COCCN2C)CC1 ZINC000903279083 592150607 /nfs/dbraw/zinc/15/06/07/592150607.db2.gz IGDMLDKNLJJUMN-NZSAHSFTSA-N 2 1 339.524 1.312 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900900125 592164474 /nfs/dbraw/zinc/16/44/74/592164474.db2.gz IXLKTMVWVIPPNS-CHPDAQJUSA-N 2 1 349.519 1.963 20 0 EDADMP O=C([C@@H]1CCC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1)N1CC[NH2+]CC1 ZINC000903422296 592170511 /nfs/dbraw/zinc/17/05/11/592170511.db2.gz XLBAVMNBBKWXCW-APIJFGDWSA-N 2 1 327.419 1.422 20 0 EDADMP CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000903445706 592173098 /nfs/dbraw/zinc/17/30/98/592173098.db2.gz NKDHPYJGSHNPHQ-KFWWJZLASA-N 2 1 337.468 1.412 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000903449871 592173633 /nfs/dbraw/zinc/17/36/33/592173633.db2.gz KKOWPCAHZPBXBC-AVGNSLFASA-N 2 1 337.386 1.416 20 0 EDADMP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCCC2)NC(=O)NCC(F)(F)F ZINC000903484668 592177727 /nfs/dbraw/zinc/17/77/27/592177727.db2.gz UURIJLYWOMXKEB-JTQLQIEISA-N 2 1 336.358 1.029 20 0 EDADMP COCc1nc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cs1 ZINC000903493394 592185693 /nfs/dbraw/zinc/18/56/93/592185693.db2.gz RGHVFKPVQVHXHY-RWSFTLGLSA-N 2 1 325.434 1.002 20 0 EDADMP COCc1nc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cs1 ZINC000903493394 592185695 /nfs/dbraw/zinc/18/56/95/592185695.db2.gz RGHVFKPVQVHXHY-RWSFTLGLSA-N 2 1 325.434 1.002 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1CC[NH3+] ZINC000903496324 592187581 /nfs/dbraw/zinc/18/75/81/592187581.db2.gz KGXVWBJQDRFPSM-HUUCEWRRSA-N 2 1 344.459 1.669 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCCc3cc(CC[NH3+])ccc32)CC1 ZINC000903599459 592230661 /nfs/dbraw/zinc/23/06/61/592230661.db2.gz QILKOMSXXDGFTG-UHFFFAOYSA-N 2 1 337.489 1.364 20 0 EDADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[N@@H+](C)C1CC1 ZINC000906649776 592233916 /nfs/dbraw/zinc/23/39/16/592233916.db2.gz GZQKJBPABGWTEX-LBPRGKRZSA-N 2 1 332.448 1.418 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906656206 592238304 /nfs/dbraw/zinc/23/83/04/592238304.db2.gz RKPHNZSFFVCXGM-CQSZACIVSA-N 2 1 346.475 1.619 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCN(CC[NH3+])CC3)c2)CCO1 ZINC000904366850 592241833 /nfs/dbraw/zinc/24/18/33/592241833.db2.gz RGWYXRPSHLIBFU-QGZVFWFLSA-N 3 1 346.519 1.420 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCN(CC[NH3+])CC3)c2)CCO1 ZINC000904366850 592241838 /nfs/dbraw/zinc/24/18/38/592241838.db2.gz RGWYXRPSHLIBFU-QGZVFWFLSA-N 3 1 346.519 1.420 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC000904376958 592244998 /nfs/dbraw/zinc/24/49/98/592244998.db2.gz ZEZHJRBYBAMSGY-NXHRZFHOSA-N 3 1 348.491 1.550 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)CC(C)C ZINC000906673575 592254860 /nfs/dbraw/zinc/25/48/60/592254860.db2.gz LZHNSINYEWTBCE-KRWDZBQOSA-N 2 1 326.529 1.353 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H](C3CCOCC3)C2)cnn1C ZINC000904432930 592256150 /nfs/dbraw/zinc/25/61/50/592256150.db2.gz JBYOMIKEBLOJLJ-AEFFLSMTSA-N 2 1 334.508 1.985 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1 ZINC000906706954 592279545 /nfs/dbraw/zinc/27/95/45/592279545.db2.gz RFVIEWHWPZOLPN-HNAYVOBHSA-N 2 1 344.459 1.145 20 0 EDADMP CCC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000903717922 592280732 /nfs/dbraw/zinc/28/07/32/592280732.db2.gz FWDUCZSFUGMUJL-HUUCEWRRSA-N 2 1 330.494 1.044 20 0 EDADMP CCC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000903717922 592280735 /nfs/dbraw/zinc/28/07/35/592280735.db2.gz FWDUCZSFUGMUJL-HUUCEWRRSA-N 2 1 330.494 1.044 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cccn1CCN1CCOCC1 ZINC000906710490 592282298 /nfs/dbraw/zinc/28/22/98/592282298.db2.gz NLALUCHALBPNGW-QGZVFWFLSA-N 2 1 348.491 1.234 20 0 EDADMP O=C1C[C@H](c2ccccc2)[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903723325 592283856 /nfs/dbraw/zinc/28/38/56/592283856.db2.gz VGOJZQQKTTYQBA-SCTDSRPQSA-N 2 1 329.444 1.318 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1 ZINC000904604325 592293468 /nfs/dbraw/zinc/29/34/68/592293468.db2.gz PSPYYFYCKBWVND-HNNXBMFYSA-N 2 1 334.464 1.847 20 0 EDADMP Cc1ncc(CN2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)s1 ZINC000903740102 592301851 /nfs/dbraw/zinc/30/18/51/592301851.db2.gz DFSGKCFWPYTJIA-RDJZCZTQSA-N 2 1 336.505 1.338 20 0 EDADMP Cc1nc(C)n([C@@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903739397 592302227 /nfs/dbraw/zinc/30/22/27/592302227.db2.gz INRHNVVAQSCIFE-SJORKVTESA-N 2 1 333.480 1.691 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903766652 592310253 /nfs/dbraw/zinc/31/02/53/592310253.db2.gz BNZRZXODXDIBQC-OWSLCNJRSA-N 3 1 337.508 1.506 20 0 EDADMP Cn1cc(C[N@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c(C(F)(F)F)n1 ZINC000903755493 592313606 /nfs/dbraw/zinc/31/36/06/592313606.db2.gz IAHZTLTXLQNXEM-TZMCWYRMSA-N 2 1 332.370 1.639 20 0 EDADMP Cn1cc(C[N@@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c(C(F)(F)F)n1 ZINC000903755493 592313610 /nfs/dbraw/zinc/31/36/10/592313610.db2.gz IAHZTLTXLQNXEM-TZMCWYRMSA-N 2 1 332.370 1.639 20 0 EDADMP CC(=O)Nc1ccc2c(c1)C[N@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903781154 592319994 /nfs/dbraw/zinc/31/99/94/592319994.db2.gz OYNLZXTZYUBZHA-RBUKOAKNSA-N 2 1 329.444 1.772 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2C[C@H](C)[NH+](CC)C[C@@H]2C)C1 ZINC000901271119 592320347 /nfs/dbraw/zinc/32/03/47/592320347.db2.gz KWPNMHNBBAPKJL-HRCADAONSA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2C[C@H](C)[NH+](CC)C[C@@H]2C)C1 ZINC000901271119 592320350 /nfs/dbraw/zinc/32/03/50/592320350.db2.gz KWPNMHNBBAPKJL-HRCADAONSA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)C1 ZINC000901271119 592320354 /nfs/dbraw/zinc/32/03/54/592320354.db2.gz KWPNMHNBBAPKJL-HRCADAONSA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)C1 ZINC000901271119 592320358 /nfs/dbraw/zinc/32/03/58/592320358.db2.gz KWPNMHNBBAPKJL-HRCADAONSA-N 2 1 339.480 1.203 20 0 EDADMP NC(=O)c1c[nH]nc1[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779828 592320341 /nfs/dbraw/zinc/32/03/41/592320341.db2.gz BPWIWWBRRQIGGM-ZFWWWQNUSA-N 2 1 347.463 1.194 20 0 EDADMP NC(=O)c1c[nH]nc1[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779828 592320345 /nfs/dbraw/zinc/32/03/45/592320345.db2.gz BPWIWWBRRQIGGM-ZFWWWQNUSA-N 2 1 347.463 1.194 20 0 EDADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1)C1CCCC1 ZINC000903782281 592321535 /nfs/dbraw/zinc/32/15/35/592321535.db2.gz IZLQWFZIMRDMAG-NVXWUHKLSA-N 2 1 343.537 1.642 20 0 EDADMP C[N@@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903781934 592321626 /nfs/dbraw/zinc/32/16/26/592321626.db2.gz XRDUHQHHKZQZFA-LNLFQRSKSA-N 2 1 345.443 1.712 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC[C@H]2CN2CCOCC2)cnn1C ZINC000903891093 592352626 /nfs/dbraw/zinc/35/26/26/592352626.db2.gz JNZIGQRIRQPLAJ-MJGOQNOKSA-N 2 1 349.523 1.033 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)C[C@@H]2COc3ccccc3O2)cnn1C ZINC000903876688 592356698 /nfs/dbraw/zinc/35/66/98/592356698.db2.gz HLLHENVTUYHIMY-DOTOQJQBSA-N 2 1 344.459 1.618 20 0 EDADMP COCCCOC1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903895852 592367213 /nfs/dbraw/zinc/36/72/13/592367213.db2.gz QRQNNMSOLIKHHZ-HNNXBMFYSA-N 2 1 337.468 1.220 20 0 EDADMP COc1c(C)c[nH+]c(CN(C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1C ZINC000903905937 592373074 /nfs/dbraw/zinc/37/30/74/592373074.db2.gz PXPOOMNLDDKEBU-OAHLLOKOSA-N 2 1 344.463 1.855 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@H](Cc3ccncc3)C2)cnn1C ZINC000903908297 592373480 /nfs/dbraw/zinc/37/34/80/592373480.db2.gz GHJACAGJZXPSKP-MSOLQXFVSA-N 2 1 327.476 1.806 20 0 EDADMP Cc1c(C[C@H](C[NH3+])CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cnn1C ZINC000903930091 592381692 /nfs/dbraw/zinc/38/16/92/592381692.db2.gz SBJXXCWJDAWNOE-AYOQOUSVSA-N 2 1 349.523 1.064 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cnn1C ZINC000903932388 592383306 /nfs/dbraw/zinc/38/33/06/592383306.db2.gz QJTLQUCJUZMQLS-JFRXWTBNSA-N 3 1 349.523 1.064 20 0 EDADMP Cn1ccc([C@@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903987395 592406504 /nfs/dbraw/zinc/40/65/04/592406504.db2.gz FKSDFTWUFDVFMJ-CABCVRRESA-N 2 1 329.452 1.316 20 0 EDADMP Cn1ccc([C@@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903987395 592406505 /nfs/dbraw/zinc/40/65/05/592406505.db2.gz FKSDFTWUFDVFMJ-CABCVRRESA-N 2 1 329.452 1.316 20 0 EDADMP CCOC(=O)[C@H]1CCCN(CC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000908261655 592411569 /nfs/dbraw/zinc/41/15/69/592411569.db2.gz LODLHOJPSXBAPN-GJZGRUSLSA-N 2 1 327.469 1.106 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)C[NH+](C)C(C)C)C1 ZINC000908261655 592411571 /nfs/dbraw/zinc/41/15/71/592411571.db2.gz LODLHOJPSXBAPN-GJZGRUSLSA-N 2 1 327.469 1.106 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)C[NH+](C)C(C)C)C1 ZINC000908261655 592411575 /nfs/dbraw/zinc/41/15/75/592411575.db2.gz LODLHOJPSXBAPN-GJZGRUSLSA-N 2 1 327.469 1.106 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000908261655 592411579 /nfs/dbraw/zinc/41/15/79/592411579.db2.gz LODLHOJPSXBAPN-GJZGRUSLSA-N 2 1 327.469 1.106 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000908261655 592411581 /nfs/dbraw/zinc/41/15/81/592411581.db2.gz LODLHOJPSXBAPN-GJZGRUSLSA-N 2 1 327.469 1.106 20 0 EDADMP Cc1cc(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc(N2CCCC2)[nH+]1 ZINC000908286262 592425327 /nfs/dbraw/zinc/42/53/27/592425327.db2.gz QURYUWPINKJKDN-IBGZPJMESA-N 2 1 346.475 1.453 20 0 EDADMP Cc1cc(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc(N2CCCC2)[nH+]1 ZINC000908286262 592425329 /nfs/dbraw/zinc/42/53/29/592425329.db2.gz QURYUWPINKJKDN-IBGZPJMESA-N 2 1 346.475 1.453 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1C ZINC000904299661 592471606 /nfs/dbraw/zinc/47/16/06/592471606.db2.gz LIFYPFJLQBKELG-HNNXBMFYSA-N 2 1 333.432 1.069 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](Cc2nccn2C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000904302621 592472099 /nfs/dbraw/zinc/47/20/99/592472099.db2.gz XHCHCGSYVPHTNT-GDBMZVCRSA-N 2 1 331.464 1.298 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2nccn2C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000904302621 592472101 /nfs/dbraw/zinc/47/21/01/592472101.db2.gz XHCHCGSYVPHTNT-GDBMZVCRSA-N 2 1 331.464 1.298 20 0 EDADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C(F)F ZINC000905360298 592506812 /nfs/dbraw/zinc/50/68/12/592506812.db2.gz LYIXAHQVNLTPHD-VYDXJSESSA-N 2 1 328.403 1.475 20 0 EDADMP C[C@](O)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C(F)F ZINC000905360298 592506815 /nfs/dbraw/zinc/50/68/15/592506815.db2.gz LYIXAHQVNLTPHD-VYDXJSESSA-N 2 1 328.403 1.475 20 0 EDADMP O[C@@H](CC[C@H](O)c1ccccc1)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000905340165 592511020 /nfs/dbraw/zinc/51/10/20/592511020.db2.gz FLEVOHWFALJCIB-OALUTQOASA-N 2 1 336.476 1.298 20 0 EDADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000905342085 592511969 /nfs/dbraw/zinc/51/19/69/592511969.db2.gz FEPFCCWIWBGJRN-WBVHZDCISA-N 2 1 341.521 1.265 20 0 EDADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905365619 592516319 /nfs/dbraw/zinc/51/63/19/592516319.db2.gz CDHSYTPRRGOIRW-ZWKOTPCHSA-N 2 1 334.460 1.009 20 0 EDADMP CC[C@](O)(C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O)C(F)(F)F ZINC000905495924 592553675 /nfs/dbraw/zinc/55/36/75/592553675.db2.gz OAUPTNXLCTUMHS-ZSAUSMIDSA-N 2 1 338.414 1.759 20 0 EDADMP CN(C)Cc1csc(CNC[C@H](O)COCc2ccco2)n1 ZINC000905528143 592562467 /nfs/dbraw/zinc/56/24/67/592562467.db2.gz FSZASKQXWGZWBB-ZDUSSCGKSA-N 2 1 325.434 1.465 20 0 EDADMP CN(C)Cc1csc(CNC[C@@H](O)COCc2ccco2)n1 ZINC000905528142 592562481 /nfs/dbraw/zinc/56/24/81/592562481.db2.gz FSZASKQXWGZWBB-CYBMUJFWSA-N 2 1 325.434 1.465 20 0 EDADMP O=C(Cc1c[nH]cn1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000907288787 592585944 /nfs/dbraw/zinc/58/59/44/592585944.db2.gz WZSWLCDNOANOEO-KRWDZBQOSA-N 2 1 328.416 1.225 20 0 EDADMP O=C(Cc1cnc[nH]1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000907288787 592585946 /nfs/dbraw/zinc/58/59/46/592585946.db2.gz WZSWLCDNOANOEO-KRWDZBQOSA-N 2 1 328.416 1.225 20 0 EDADMP O=C(Cc1cnc[nH]1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000907288787 592585948 /nfs/dbraw/zinc/58/59/48/592585948.db2.gz WZSWLCDNOANOEO-KRWDZBQOSA-N 2 1 328.416 1.225 20 0 EDADMP CCn1c([C@@H]2CN(C)C[C@@H](C)O2)nnc1N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000908831711 592636368 /nfs/dbraw/zinc/63/63/68/592636368.db2.gz VYENWTIUUFLXGX-LDDOYCOJSA-N 2 1 348.495 1.078 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)C[C@@]3(O)CCOC3)C2)[nH+]1 ZINC000905926050 592685422 /nfs/dbraw/zinc/68/54/22/592685422.db2.gz VUIHCEDDGBYZCW-BQFCYCMXSA-N 2 1 335.448 1.026 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)C[C@@]3(O)CCOC3)C2)[nH+]1 ZINC000905926050 592685425 /nfs/dbraw/zinc/68/54/25/592685425.db2.gz VUIHCEDDGBYZCW-BQFCYCMXSA-N 2 1 335.448 1.026 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)C12CC[NH+](CC1)C2 ZINC000907567550 592712916 /nfs/dbraw/zinc/71/29/16/592712916.db2.gz NZTJWEGNAUDTBW-DOTOQJQBSA-N 2 1 345.491 1.357 20 0 EDADMP Cc1cc(NC(=O)C2CN(C)CC[N@@H+](C)C2)ccc1OCC[NH+](C)C ZINC000909924476 592721721 /nfs/dbraw/zinc/72/17/21/592721721.db2.gz ZBYNNVHLPIPBMQ-UHFFFAOYSA-N 2 1 348.491 1.367 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)[C@H](C)C1 ZINC000906217806 592759828 /nfs/dbraw/zinc/75/98/28/592759828.db2.gz WQRCMEWSXMRSKF-HZPDHXFCSA-N 2 1 333.480 1.151 20 0 EDADMP CC[NH+](CC)Cc1cccc(CNC(=O)C2CN(C)CC[N@@H+](C)C2)c1 ZINC000906257790 592775256 /nfs/dbraw/zinc/77/52/56/592775256.db2.gz MIEOXENWWBTHIF-UHFFFAOYSA-N 2 1 346.519 1.638 20 0 EDADMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cnccn1 ZINC000906385446 592814708 /nfs/dbraw/zinc/81/47/08/592814708.db2.gz PXYBDMSPQUEWLN-CYBMUJFWSA-N 2 1 326.404 1.366 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000906588304 592852353 /nfs/dbraw/zinc/85/23/53/592852353.db2.gz ZCEBSHKIGJEYST-GOSISDBHSA-N 2 1 347.507 1.576 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000906588304 592852356 /nfs/dbraw/zinc/85/23/56/592852356.db2.gz ZCEBSHKIGJEYST-GOSISDBHSA-N 2 1 347.507 1.576 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)C1 ZINC000906588304 592852359 /nfs/dbraw/zinc/85/23/59/592852359.db2.gz ZCEBSHKIGJEYST-GOSISDBHSA-N 2 1 347.507 1.576 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)C1 ZINC000906588304 592852360 /nfs/dbraw/zinc/85/23/60/592852360.db2.gz ZCEBSHKIGJEYST-GOSISDBHSA-N 2 1 347.507 1.576 20 0 EDADMP CC(C)[NH+](CCO)CC1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000910874951 592899217 /nfs/dbraw/zinc/89/92/17/592899217.db2.gz GBDQNOCVMFFYDK-KRWDZBQOSA-N 2 1 339.524 1.801 20 0 EDADMP CC(C)[NH+](CCO)CC1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000910874951 592899218 /nfs/dbraw/zinc/89/92/18/592899218.db2.gz GBDQNOCVMFFYDK-KRWDZBQOSA-N 2 1 339.524 1.801 20 0 EDADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911836482 593019974 /nfs/dbraw/zinc/01/99/74/593019974.db2.gz ZEVCRZCHHKAXFM-AAEUAGOBSA-N 2 1 342.237 1.311 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1C)[NH+]1CCN(C)CC1 ZINC000911891805 593031797 /nfs/dbraw/zinc/03/17/97/593031797.db2.gz NOFKRADUCSGTPI-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000911891805 593031798 /nfs/dbraw/zinc/03/17/98/593031798.db2.gz NOFKRADUCSGTPI-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000911891805 593031800 /nfs/dbraw/zinc/03/18/00/593031800.db2.gz NOFKRADUCSGTPI-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP C[N@@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000736798133 593038192 /nfs/dbraw/zinc/03/81/92/593038192.db2.gz QJNBHGNAHBGXDA-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP C[NH+](CCCOc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000736798133 593038193 /nfs/dbraw/zinc/03/81/93/593038193.db2.gz QJNBHGNAHBGXDA-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP C[NH+](CCCOc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000736798133 593038194 /nfs/dbraw/zinc/03/81/94/593038194.db2.gz QJNBHGNAHBGXDA-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@H]1CCCC[N@H+]1C ZINC000912237169 593074677 /nfs/dbraw/zinc/07/46/77/593074677.db2.gz WQZMVQPPWXDSJA-MRXNPFEDSA-N 2 1 342.447 1.859 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000912237169 593074679 /nfs/dbraw/zinc/07/46/79/593074679.db2.gz WQZMVQPPWXDSJA-MRXNPFEDSA-N 2 1 342.447 1.859 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000803857885 593368831 /nfs/dbraw/zinc/36/88/31/593368831.db2.gz AEBHKPJFGAQEQQ-JKSUJKDBSA-N 2 1 339.480 1.347 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000803857885 593368833 /nfs/dbraw/zinc/36/88/33/593368833.db2.gz AEBHKPJFGAQEQQ-JKSUJKDBSA-N 2 1 339.480 1.347 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000810466982 593403989 /nfs/dbraw/zinc/40/39/89/593403989.db2.gz ZHUBSUOWBRKDDH-ULQDDVLXSA-N 2 1 325.497 1.676 20 0 EDADMP OC[C@]1(Cc2ccccc2)CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000812873945 593511900 /nfs/dbraw/zinc/51/19/00/593511900.db2.gz PPGUJGHXTOBOJT-PMACEKPBSA-N 2 1 332.488 1.760 20 0 EDADMP OC[C@]1(Cc2ccccc2)CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000812873945 593511901 /nfs/dbraw/zinc/51/19/01/593511901.db2.gz PPGUJGHXTOBOJT-PMACEKPBSA-N 2 1 332.488 1.760 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000817927821 593649586 /nfs/dbraw/zinc/64/95/86/593649586.db2.gz NHHVSQOSGZCYJK-NLWGTHIKSA-N 2 1 345.487 1.782 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000817927821 593649588 /nfs/dbraw/zinc/64/95/88/593649588.db2.gz NHHVSQOSGZCYJK-NLWGTHIKSA-N 2 1 345.487 1.782 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000819063068 593736704 /nfs/dbraw/zinc/73/67/04/593736704.db2.gz WPGORDINPUGTPQ-HNNXBMFYSA-N 2 1 325.840 1.127 20 0 EDADMP Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000822192070 594006370 /nfs/dbraw/zinc/00/63/70/594006370.db2.gz YAVPQJXFZJDGJK-ZIAGYGMSSA-N 2 1 327.436 1.799 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000824736825 594065761 /nfs/dbraw/zinc/06/57/61/594065761.db2.gz YNNXUYIPLLLYKB-GOSISDBHSA-N 2 1 330.476 1.015 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000824736825 594065763 /nfs/dbraw/zinc/06/57/63/594065763.db2.gz YNNXUYIPLLLYKB-GOSISDBHSA-N 2 1 330.476 1.015 20 0 EDADMP C[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000822916328 594121705 /nfs/dbraw/zinc/12/17/05/594121705.db2.gz ZJOZWCMGNZYPMU-TZMCWYRMSA-N 2 1 328.420 1.349 20 0 EDADMP Cc1ccccc1[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC[NH2+]1 ZINC000825154725 594137621 /nfs/dbraw/zinc/13/76/21/594137621.db2.gz YEDKZDQDFCLJAA-SFHVURJKSA-N 2 1 341.459 1.540 20 0 EDADMP Cc1ccccc1CN1CCO[C@@H](CNC(=O)CN2CCCC2)C1 ZINC000825369594 594174320 /nfs/dbraw/zinc/17/43/20/594174320.db2.gz XUUGIAVFMVCYLF-SFHVURJKSA-N 2 1 331.460 1.408 20 0 EDADMP CC(C)(C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]([NH3+])c1ccccc1 ZINC000827936847 594306806 /nfs/dbraw/zinc/30/68/06/594306806.db2.gz WVBQVAHRDOWAPU-BBWFWOEESA-N 2 1 331.460 1.692 20 0 EDADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC[C@@H]21 ZINC000826033470 594311003 /nfs/dbraw/zinc/31/10/03/594311003.db2.gz DRWAWVJDTPSRRB-DOMZBBRYSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC[C@@H]21 ZINC000826033470 594311006 /nfs/dbraw/zinc/31/10/06/594311006.db2.gz DRWAWVJDTPSRRB-DOMZBBRYSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3F)CC[C@@H]21 ZINC000826033470 594311009 /nfs/dbraw/zinc/31/10/09/594311009.db2.gz DRWAWVJDTPSRRB-DOMZBBRYSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3F)CC[C@@H]21 ZINC000826033470 594311012 /nfs/dbraw/zinc/31/10/12/594311012.db2.gz DRWAWVJDTPSRRB-DOMZBBRYSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@H+](C[C@H]1CN(c3ccccc3)C(=O)O1)CCO2 ZINC000830637791 594444590 /nfs/dbraw/zinc/44/45/90/594444590.db2.gz OSRYGARNROUQAL-KRWDZBQOSA-N 2 1 345.443 1.808 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1CN(c3ccccc3)C(=O)O1)CCO2 ZINC000830637791 594444591 /nfs/dbraw/zinc/44/45/91/594444591.db2.gz OSRYGARNROUQAL-KRWDZBQOSA-N 2 1 345.443 1.808 20 0 EDADMP Cc1cccc(CN2CCO[C@@H](CNC(=O)[C@@H]3CCCCN3C)C2)c1 ZINC000826557685 594525641 /nfs/dbraw/zinc/52/56/41/594525641.db2.gz OGPKGNBQJFYGBF-OALUTQOASA-N 2 1 345.487 1.796 20 0 EDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@]1(F)CC[NH2+]C1 ZINC000832054565 594722499 /nfs/dbraw/zinc/72/24/99/594722499.db2.gz ORPZKNOMKJBFHN-WMZOPIPTSA-N 2 1 335.423 1.095 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000843261513 595056645 /nfs/dbraw/zinc/05/66/45/595056645.db2.gz LFXDNPUNOMIXMZ-UHFFFAOYSA-N 2 1 340.512 1.201 20 0 EDADMP C[N@@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)C1CCC([NH3+])CC1 ZINC000843354954 595085115 /nfs/dbraw/zinc/08/51/15/595085115.db2.gz GOXAWGNQUPPQOV-UHFFFAOYSA-N 2 1 341.459 1.690 20 0 EDADMP CN(CCOc1ccccc1F)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354706 595085530 /nfs/dbraw/zinc/08/55/30/595085530.db2.gz DFWBCEMBXDGYMZ-UHFFFAOYSA-N 2 1 337.439 1.865 20 0 EDADMP C[N@@H+](CC(=O)NCCCOc1ccccc1F)C1CCC([NH3+])CC1 ZINC000843355437 595085802 /nfs/dbraw/zinc/08/58/02/595085802.db2.gz OOWVJTQKYGYMRQ-UHFFFAOYSA-N 2 1 337.439 1.913 20 0 EDADMP CC(=O)Nc1ccc2c(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)cc(=O)oc2c1 ZINC000843362290 595087866 /nfs/dbraw/zinc/08/78/66/595087866.db2.gz BZIYWHUSTMNZPB-YPMHNXCESA-N 2 1 329.400 1.921 20 0 EDADMP [NH3+][C@@H](CC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1)C1CC1 ZINC000843488359 595127128 /nfs/dbraw/zinc/12/71/28/595127128.db2.gz WIVKKJVSRMECDD-SFHVURJKSA-N 2 1 346.475 1.260 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1)N1CC[NH2+]CC1 ZINC000843047553 595273210 /nfs/dbraw/zinc/27/32/10/595273210.db2.gz VXIBUSMMAOEFFU-MRXNPFEDSA-N 2 1 329.444 1.361 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CO[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000844165538 595288404 /nfs/dbraw/zinc/28/84/04/595288404.db2.gz IUYVAXMZDPJATN-GOSISDBHSA-N 2 1 331.460 1.408 20 0 EDADMP CC[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000844172194 595290984 /nfs/dbraw/zinc/29/09/84/595290984.db2.gz QYAWQLCJJIGJQF-RTBURBONSA-N 2 1 345.487 1.708 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844175143 595292291 /nfs/dbraw/zinc/29/22/91/595292291.db2.gz BEAGJSVOEBBUBK-KBAYOESNSA-N 2 1 331.460 1.707 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000844175080 595292631 /nfs/dbraw/zinc/29/26/31/595292631.db2.gz FADAHGONWYCBSM-KRWDZBQOSA-N 2 1 344.459 1.530 20 0 EDADMP C[C@H](O)c1ncc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])s1 ZINC000843122702 595292691 /nfs/dbraw/zinc/29/26/91/595292691.db2.gz SUZNUJWUYUFELM-NWDGAFQWSA-N 2 1 326.466 1.016 20 0 EDADMP C[C@H](O)c1ncc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])s1 ZINC000843122702 595292693 /nfs/dbraw/zinc/29/26/93/595292693.db2.gz SUZNUJWUYUFELM-NWDGAFQWSA-N 2 1 326.466 1.016 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846672886 595298123 /nfs/dbraw/zinc/29/81/23/595298123.db2.gz MMLXYNGEMLWDFJ-HOTGVXAUSA-N 2 1 325.416 1.723 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846699361 595303792 /nfs/dbraw/zinc/30/37/92/595303792.db2.gz MMVYQLQWKFIORE-ZACQAIPSSA-N 2 1 334.464 1.859 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H]4[C@@H](C3)C4(F)F)CC2)CC1 ZINC000848247095 595346510 /nfs/dbraw/zinc/34/65/10/595346510.db2.gz ZGZFXWSPHXWBCE-IYBDPMFKSA-N 2 1 341.446 1.906 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(C)OCCO3)CC2)CC1 ZINC000847601027 595455214 /nfs/dbraw/zinc/45/52/14/595455214.db2.gz HBRDKVQGXAVXJT-UHFFFAOYSA-N 2 1 339.480 1.062 20 0 EDADMP CC(C)(C)Oc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000849049547 595475248 /nfs/dbraw/zinc/47/52/48/595475248.db2.gz HLLQOVIDYPFKQT-UHFFFAOYSA-N 2 1 349.479 1.595 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849509896 595554691 /nfs/dbraw/zinc/55/46/91/595554691.db2.gz GIDCOTZGVBYTHT-BPQIPLTHSA-N 2 1 347.507 1.302 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849509896 595554694 /nfs/dbraw/zinc/55/46/94/595554694.db2.gz GIDCOTZGVBYTHT-BPQIPLTHSA-N 2 1 347.507 1.302 20 0 EDADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849509896 595554697 /nfs/dbraw/zinc/55/46/97/595554697.db2.gz GIDCOTZGVBYTHT-BPQIPLTHSA-N 2 1 347.507 1.302 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849508984 595554774 /nfs/dbraw/zinc/55/47/74/595554774.db2.gz KMZLHKSVACKLFX-ZWKOTPCHSA-N 2 1 347.507 1.304 20 0 EDADMP [NH3+][C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1Br ZINC000852833025 595565531 /nfs/dbraw/zinc/56/55/31/595565531.db2.gz SUSCFCUFOJPQQP-WDEREUQCSA-N 2 1 348.191 1.562 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)CC[N@@H+]1C ZINC000849571403 595574799 /nfs/dbraw/zinc/57/47/99/595574799.db2.gz IMUGVZKWIGQBSW-WTTBNOFXSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC[NH+]1C ZINC000849571403 595574803 /nfs/dbraw/zinc/57/48/03/595574803.db2.gz IMUGVZKWIGQBSW-WTTBNOFXSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC[NH+]1C ZINC000849571403 595574808 /nfs/dbraw/zinc/57/48/08/595574808.db2.gz IMUGVZKWIGQBSW-WTTBNOFXSA-N 2 1 333.480 1.006 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)N(C)CCC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849574750 595577982 /nfs/dbraw/zinc/57/79/82/595577982.db2.gz HWRBBLJBKQBIIP-QZTJIDSGSA-N 2 1 349.523 1.644 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597099 595586777 /nfs/dbraw/zinc/58/67/77/595586777.db2.gz RAGDADVKLSHTQP-HYVNUMGLSA-N 2 1 335.496 1.300 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597099 595586780 /nfs/dbraw/zinc/58/67/80/595586780.db2.gz RAGDADVKLSHTQP-HYVNUMGLSA-N 2 1 335.496 1.300 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597099 595586781 /nfs/dbraw/zinc/58/67/81/595586781.db2.gz RAGDADVKLSHTQP-HYVNUMGLSA-N 2 1 335.496 1.300 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849602695 595590725 /nfs/dbraw/zinc/59/07/25/595590725.db2.gz PYYHIGHMVRRVSB-KSZLIROESA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849602695 595590728 /nfs/dbraw/zinc/59/07/28/595590728.db2.gz PYYHIGHMVRRVSB-KSZLIROESA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849602695 595590731 /nfs/dbraw/zinc/59/07/31/595590731.db2.gz PYYHIGHMVRRVSB-KSZLIROESA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849613613 595596762 /nfs/dbraw/zinc/59/67/62/595596762.db2.gz UKTGIIIDEXRWFE-KURKYZTESA-N 2 1 347.507 1.444 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)COc1ccc2c(c1)CCC2 ZINC000855346326 595680223 /nfs/dbraw/zinc/68/02/23/595680223.db2.gz WYMGQVSVZFBUHU-INIZCTEOSA-N 2 1 347.503 1.942 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)COc1ccc2c(c1)CCC2 ZINC000855346326 595680224 /nfs/dbraw/zinc/68/02/24/595680224.db2.gz WYMGQVSVZFBUHU-INIZCTEOSA-N 2 1 347.503 1.942 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2n[nH]nc2cc1F ZINC000855347041 595681971 /nfs/dbraw/zinc/68/19/71/595681971.db2.gz QRNJGUPPRCISKF-NSHDSACASA-N 2 1 336.415 1.099 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2n[nH]nc2cc1F ZINC000855347041 595681975 /nfs/dbraw/zinc/68/19/75/595681975.db2.gz QRNJGUPPRCISKF-NSHDSACASA-N 2 1 336.415 1.099 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@]23C[C@H]2C[NH2+]C3)CCCO1 ZINC000853245651 595718598 /nfs/dbraw/zinc/71/85/98/595718598.db2.gz ASSCPZQIAFZMEB-JJRVBVJISA-N 2 1 325.453 1.212 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)CCCO1 ZINC000853245651 595718601 /nfs/dbraw/zinc/71/86/01/595718601.db2.gz ASSCPZQIAFZMEB-JJRVBVJISA-N 2 1 325.453 1.212 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000853683615 595854600 /nfs/dbraw/zinc/85/46/00/595854600.db2.gz UVYGZLIAFNNEGY-HUUCEWRRSA-N 2 1 326.485 1.269 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000853683615 595854604 /nfs/dbraw/zinc/85/46/04/595854604.db2.gz UVYGZLIAFNNEGY-HUUCEWRRSA-N 2 1 326.485 1.269 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000853683615 595854606 /nfs/dbraw/zinc/85/46/06/595854606.db2.gz UVYGZLIAFNNEGY-HUUCEWRRSA-N 2 1 326.485 1.269 20 0 EDADMP COC(=O)CC[C@@H](C(=O)OC)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000852009092 596005858 /nfs/dbraw/zinc/00/58/58/596005858.db2.gz YHSFOBTZBJJMFJ-AWEZNQCLSA-N 2 1 326.437 1.289 20 0 EDADMP COC(=O)CC[C@@H](C(=O)OC)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000852009092 596005860 /nfs/dbraw/zinc/00/58/60/596005860.db2.gz YHSFOBTZBJJMFJ-AWEZNQCLSA-N 2 1 326.437 1.289 20 0 EDADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnnn3C)C2)ccn1 ZINC000856558721 596018323 /nfs/dbraw/zinc/01/83/23/596018323.db2.gz AUSFFQKKVWAXBP-GOSISDBHSA-N 2 1 344.463 1.704 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnnn3C)C2)ccn1 ZINC000856558721 596018327 /nfs/dbraw/zinc/01/83/27/596018327.db2.gz AUSFFQKKVWAXBP-GOSISDBHSA-N 2 1 344.463 1.704 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnnn3C)C2)ccn1 ZINC000856558721 596018331 /nfs/dbraw/zinc/01/83/31/596018331.db2.gz AUSFFQKKVWAXBP-GOSISDBHSA-N 2 1 344.463 1.704 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnnn3C)C2)ccn1 ZINC000856558721 596018334 /nfs/dbraw/zinc/01/83/34/596018334.db2.gz AUSFFQKKVWAXBP-GOSISDBHSA-N 2 1 344.463 1.704 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCNC(C)=O)C2)ccn1 ZINC000856585999 596023594 /nfs/dbraw/zinc/02/35/94/596023594.db2.gz ONTLINRTIRBSOS-SFHVURJKSA-N 2 1 334.464 1.513 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCNC(C)=O)C2)ccn1 ZINC000856585999 596023597 /nfs/dbraw/zinc/02/35/97/596023597.db2.gz ONTLINRTIRBSOS-SFHVURJKSA-N 2 1 334.464 1.513 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCNC(C)=O)C2)ccn1 ZINC000856585999 596023601 /nfs/dbraw/zinc/02/36/01/596023601.db2.gz ONTLINRTIRBSOS-SFHVURJKSA-N 2 1 334.464 1.513 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)N3CCC3)C2)ccn1 ZINC000856590914 596025645 /nfs/dbraw/zinc/02/56/45/596025645.db2.gz DXTXRPVLZHKSIY-KRWDZBQOSA-N 2 1 332.448 1.219 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)N3CCC3)C2)ccn1 ZINC000856590914 596025650 /nfs/dbraw/zinc/02/56/50/596025650.db2.gz DXTXRPVLZHKSIY-KRWDZBQOSA-N 2 1 332.448 1.219 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)ccn1 ZINC000856590914 596025654 /nfs/dbraw/zinc/02/56/54/596025654.db2.gz DXTXRPVLZHKSIY-KRWDZBQOSA-N 2 1 332.448 1.219 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)ccn1 ZINC000856590914 596025659 /nfs/dbraw/zinc/02/56/59/596025659.db2.gz DXTXRPVLZHKSIY-KRWDZBQOSA-N 2 1 332.448 1.219 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000861555492 596028503 /nfs/dbraw/zinc/02/85/03/596028503.db2.gz OAONATIXOKHORE-FUHWJXTLSA-N 2 1 347.507 1.354 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000861555492 596028507 /nfs/dbraw/zinc/02/85/07/596028507.db2.gz OAONATIXOKHORE-FUHWJXTLSA-N 2 1 347.507 1.354 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000861555492 596028511 /nfs/dbraw/zinc/02/85/11/596028511.db2.gz OAONATIXOKHORE-FUHWJXTLSA-N 2 1 347.507 1.354 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000861702425 596073123 /nfs/dbraw/zinc/07/31/23/596073123.db2.gz NVKQWTTUUAJBMB-WDYCEAGBSA-N 2 1 346.475 1.015 20 0 EDADMP Cc1cccnc1NC(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000866666678 596285212 /nfs/dbraw/zinc/28/52/12/596285212.db2.gz UTJZMCPLGMENSP-NVXWUHKLSA-N 2 1 332.448 1.547 20 0 EDADMP NC(=O)c1ccc(CC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000866669153 596286275 /nfs/dbraw/zinc/28/62/75/596286275.db2.gz RSZCRWNLLZANCK-KGLIPLIRSA-N 2 1 329.366 1.787 20 0 EDADMP NC(=O)c1ccc(CC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000866669153 596286276 /nfs/dbraw/zinc/28/62/76/596286276.db2.gz RSZCRWNLLZANCK-KGLIPLIRSA-N 2 1 329.366 1.787 20 0 EDADMP Cc1cc(C)c(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)c1 ZINC000866709212 596302772 /nfs/dbraw/zinc/30/27/72/596302772.db2.gz IZVKKTUXQICNBW-JQHSSLGASA-N 2 1 329.444 1.979 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000866757211 596324721 /nfs/dbraw/zinc/32/47/21/596324721.db2.gz MOXRAAIPQLYRDN-OAHLLOKOSA-N 2 1 325.478 1.261 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870890211 596391828 /nfs/dbraw/zinc/39/18/28/596391828.db2.gz JWFKKWJCYXWWCB-BRWVUGGUSA-N 2 1 345.491 1.226 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000870948115 596415738 /nfs/dbraw/zinc/41/57/38/596415738.db2.gz NAFUSDKFTWOGNC-SQGPQFPESA-N 2 1 342.487 1.224 20 0 EDADMP CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000120404746 596495964 /nfs/dbraw/zinc/49/59/64/596495964.db2.gz XCMIGESUJUFMFJ-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP CC(=O)NCC1CCC([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000865544228 596606587 /nfs/dbraw/zinc/60/65/87/596606587.db2.gz MOYPMSNMSQOMQS-ZLPCBKJTSA-N 2 1 325.497 1.772 20 0 EDADMP CC(=O)NCC1CCC([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000865544228 596606589 /nfs/dbraw/zinc/60/65/89/596606589.db2.gz MOYPMSNMSQOMQS-ZLPCBKJTSA-N 2 1 325.497 1.772 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000869762653 596621649 /nfs/dbraw/zinc/62/16/49/596621649.db2.gz JRNOWQRBMAXGIS-KRWDZBQOSA-N 2 1 348.491 1.571 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000869783047 596634162 /nfs/dbraw/zinc/63/41/62/596634162.db2.gz WISUSFOGXNMSJB-YJBOKZPZSA-N 2 1 345.487 1.395 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)[N@H+]1CCc2ccccc2C1 ZINC000869783047 596634164 /nfs/dbraw/zinc/63/41/64/596634164.db2.gz WISUSFOGXNMSJB-YJBOKZPZSA-N 2 1 345.487 1.395 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+]1CCc2ccccc2C1 ZINC000869783047 596634166 /nfs/dbraw/zinc/63/41/66/596634166.db2.gz WISUSFOGXNMSJB-YJBOKZPZSA-N 2 1 345.487 1.395 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[NH+]1CCc2ccccc2C1 ZINC000869783047 596634167 /nfs/dbraw/zinc/63/41/67/596634167.db2.gz WISUSFOGXNMSJB-YJBOKZPZSA-N 2 1 345.487 1.395 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn([C@@H]3CCCc4cccnc43)nn2)CC1 ZINC000871619850 596653009 /nfs/dbraw/zinc/65/30/09/596653009.db2.gz YMEUZYSGJDXLDP-QGZVFWFLSA-N 2 1 326.448 1.564 20 0 EDADMP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000870023479 596713081 /nfs/dbraw/zinc/71/30/81/596713081.db2.gz ZXFRBFJZOWYRRY-IGKNDFSCSA-N 3 1 338.540 1.446 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)[nH+]c1 ZINC000868273658 596758478 /nfs/dbraw/zinc/75/84/78/596758478.db2.gz VGNDYEICPROTLW-CVEARBPZSA-N 2 1 331.464 1.928 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)[nH+]c1 ZINC000868273658 596758480 /nfs/dbraw/zinc/75/84/80/596758480.db2.gz VGNDYEICPROTLW-CVEARBPZSA-N 2 1 331.464 1.928 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868310074 596783165 /nfs/dbraw/zinc/78/31/65/596783165.db2.gz QWUMDUZHDUENBJ-RDJZCZTQSA-N 2 1 344.459 1.287 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)C1 ZINC000870183075 596788819 /nfs/dbraw/zinc/78/88/19/596788819.db2.gz RHAYJYKTKSUDFY-KRWDZBQOSA-N 2 1 327.472 1.944 20 0 EDADMP CC(C)(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000872144081 596808802 /nfs/dbraw/zinc/80/88/02/596808802.db2.gz BQGJIIVXYFYASG-XHSDSOJGSA-N 2 1 346.537 1.808 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2scnc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000872143735 596808958 /nfs/dbraw/zinc/80/89/58/596808958.db2.gz QAFUQYOZLNKFJW-VXGBXAGGSA-N 2 1 342.896 1.877 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](Cc2scnc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000872143735 596808960 /nfs/dbraw/zinc/80/89/60/596808960.db2.gz QAFUQYOZLNKFJW-VXGBXAGGSA-N 2 1 342.896 1.877 20 0 EDADMP CC1(C)CO[C@@H](C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000872144695 596810261 /nfs/dbraw/zinc/81/02/61/596810261.db2.gz DQFMGUAJLAHAMN-JKSUJKDBSA-N 2 1 347.507 1.814 20 0 EDADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157025 596815906 /nfs/dbraw/zinc/81/59/06/596815906.db2.gz MZSUDBFNBIXRFL-GOEBONIOSA-N 2 1 339.480 1.285 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)C(F)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000868422747 596831786 /nfs/dbraw/zinc/83/17/86/596831786.db2.gz BWNLREXMQYNVRN-KBPBESRZSA-N 2 1 346.491 1.014 20 0 EDADMP COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000872252575 596854806 /nfs/dbraw/zinc/85/48/06/596854806.db2.gz TXYLJZQAVKXZOI-SUNYJGFJSA-N 2 1 338.448 1.172 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@H+]1CCOC ZINC000872302102 596874130 /nfs/dbraw/zinc/87/41/30/596874130.db2.gz OMYNJZYCQCZCII-ZACQAIPSSA-N 2 1 325.497 1.853 20 0 EDADMP C[C@@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000866411969 596879767 /nfs/dbraw/zinc/87/97/67/596879767.db2.gz ACJAXICAJRFCID-PBHICJAKSA-N 2 1 333.476 1.884 20 0 EDADMP C[C@@H](N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000866411969 596879770 /nfs/dbraw/zinc/87/97/70/596879770.db2.gz ACJAXICAJRFCID-PBHICJAKSA-N 2 1 333.476 1.884 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000122205909 596888436 /nfs/dbraw/zinc/88/84/36/596888436.db2.gz IZIDBOJVUGKSBW-XHSDSOJGSA-N 2 1 338.496 1.221 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1C ZINC000122205909 596888439 /nfs/dbraw/zinc/88/84/39/596888439.db2.gz IZIDBOJVUGKSBW-XHSDSOJGSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000875714227 596958149 /nfs/dbraw/zinc/95/81/49/596958149.db2.gz UHGUOEDWBGSSAR-ARFHVFGLSA-N 2 1 342.553 1.653 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000875714227 596958150 /nfs/dbraw/zinc/95/81/50/596958150.db2.gz UHGUOEDWBGSSAR-ARFHVFGLSA-N 2 1 342.553 1.653 20 0 EDADMP COCC[N@H+](CC1CC[NH+](C)CC1)CN1C[C@@H](C(C)C)CC1=O ZINC000872631796 597000554 /nfs/dbraw/zinc/00/05/54/597000554.db2.gz HSIBKWWIWJWTDQ-KRWDZBQOSA-N 2 1 325.497 1.739 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CN1C[C@@H](C(C)C)CC1=O ZINC000872631796 597000559 /nfs/dbraw/zinc/00/05/59/597000559.db2.gz HSIBKWWIWJWTDQ-KRWDZBQOSA-N 2 1 325.497 1.739 20 0 EDADMP COC(=O)[C@H]1CC(=O)N(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC000872743622 597055233 /nfs/dbraw/zinc/05/52/33/597055233.db2.gz GKRAARJYVYSOBB-INIZCTEOSA-N 2 1 339.480 1.265 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000876519941 597228682 /nfs/dbraw/zinc/22/86/82/597228682.db2.gz PDWPPMRVPDRTRJ-UHFFFAOYSA-N 2 1 342.399 1.739 20 0 EDADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000876556249 597239383 /nfs/dbraw/zinc/23/93/83/597239383.db2.gz KJSAFAAKSXEKFO-IZYLRLOCSA-N 2 1 335.492 1.549 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876556712 597239558 /nfs/dbraw/zinc/23/95/58/597239558.db2.gz QJBNVMNBLMONJB-APWZRJJASA-N 2 1 335.492 1.670 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876735894 597313209 /nfs/dbraw/zinc/31/32/09/597313209.db2.gz RJPNRAGEYQIBSH-BZSNNMDCSA-N 2 1 333.451 1.962 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876747180 597319680 /nfs/dbraw/zinc/31/96/80/597319680.db2.gz XQIDFPGYUXXOOB-LNMLPRMJSA-N 2 1 348.535 1.559 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@H](C)C1 ZINC000876765216 597329249 /nfs/dbraw/zinc/32/92/49/597329249.db2.gz QIFOFTPYIAISMF-FXUDXRNXSA-N 2 1 325.497 1.613 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@H](F)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000876782332 597338398 /nfs/dbraw/zinc/33/83/98/597338398.db2.gz PAYSRYPYXNZNGW-WMLDXEAASA-N 2 1 334.439 1.715 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876785306 597339662 /nfs/dbraw/zinc/33/96/62/597339662.db2.gz UNKLLNRBWNPYLV-JFIYKMOQSA-N 2 1 348.466 1.261 20 0 EDADMP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000876839495 597355017 /nfs/dbraw/zinc/35/50/17/597355017.db2.gz XYAMBDTXZKBAHG-NILFDRSVSA-N 2 1 325.815 1.761 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000876901778 597378009 /nfs/dbraw/zinc/37/80/09/597378009.db2.gz HBFGTKNAGZYNJB-NXHRZFHOSA-N 2 1 332.492 1.292 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000875315013 597380704 /nfs/dbraw/zinc/38/07/04/597380704.db2.gz RBDRLAFUEQWVDC-HNNXBMFYSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)C(C)C ZINC000875334025 597388589 /nfs/dbraw/zinc/38/85/89/597388589.db2.gz WUEQJXDNFLXOMP-INIZCTEOSA-N 2 1 342.528 1.640 20 0 EDADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000876936025 597389968 /nfs/dbraw/zinc/38/99/68/597389968.db2.gz GPZGYWNCWZZPQT-GJZGRUSLSA-N 2 1 339.505 1.792 20 0 EDADMP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H](N)CC[NH+](C)C ZINC000877030922 597416861 /nfs/dbraw/zinc/41/68/61/597416861.db2.gz NSOOAHHEOHZRQS-SOLBZPMBSA-N 2 1 330.476 1.408 20 0 EDADMP CC1(C)CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)[NH2+]C1 ZINC000877154154 597445255 /nfs/dbraw/zinc/44/52/55/597445255.db2.gz LWZYGGZPNCKJQQ-WBVHZDCISA-N 2 1 330.476 1.940 20 0 EDADMP CC1(C)CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)[NH2+]C1 ZINC000877154154 597445257 /nfs/dbraw/zinc/44/52/57/597445257.db2.gz LWZYGGZPNCKJQQ-WBVHZDCISA-N 2 1 330.476 1.940 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000877231569 597470564 /nfs/dbraw/zinc/47/05/64/597470564.db2.gz OIBMEPNZCFUCPD-IAGOWNOFSA-N 2 1 333.476 1.685 20 0 EDADMP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C3=CC[C@@H]([NH3+])C3)C2)c1 ZINC000877247912 597478376 /nfs/dbraw/zinc/47/83/76/597478376.db2.gz CEMXKVMIUBDXNZ-QZTJIDSGSA-N 2 1 329.444 1.360 20 0 EDADMP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C3=CC[C@@H]([NH3+])C3)C2)c1 ZINC000877247912 597478378 /nfs/dbraw/zinc/47/83/78/597478378.db2.gz CEMXKVMIUBDXNZ-QZTJIDSGSA-N 2 1 329.444 1.360 20 0 EDADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000877247634 597478408 /nfs/dbraw/zinc/47/84/08/597478408.db2.gz SJGHOJPOVOKHHT-NLWGTHIKSA-N 2 1 345.487 1.924 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)CC[C@@H]21 ZINC000877250980 597479955 /nfs/dbraw/zinc/47/99/55/597479955.db2.gz VJDNMMMDNRIUIF-WMZOPIPTSA-N 2 1 327.472 1.860 20 0 EDADMP CCOC(=O)N1CCC(C)(C[NH2+]C2(CCO)CC[NH+](C)CC2)CC1 ZINC000877359419 597500845 /nfs/dbraw/zinc/50/08/45/597500845.db2.gz GXQIDMOJAYUGHE-UHFFFAOYSA-N 2 1 341.496 1.681 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000878103015 597578619 /nfs/dbraw/zinc/57/86/19/597578619.db2.gz GOIHFBVLRCQXJV-UHFFFAOYSA-N 2 1 331.460 1.815 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)[C@H]1CCSC1 ZINC000881473863 597631192 /nfs/dbraw/zinc/63/11/92/597631192.db2.gz BHQOAWCRFIQVLH-HOTGVXAUSA-N 2 1 341.521 1.183 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879570064 597635466 /nfs/dbraw/zinc/63/54/66/597635466.db2.gz WYPWFVNRLIYCDG-ZHALLVOQSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879570064 597635467 /nfs/dbraw/zinc/63/54/67/597635467.db2.gz WYPWFVNRLIYCDG-ZHALLVOQSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000879570064 597635468 /nfs/dbraw/zinc/63/54/68/597635468.db2.gz WYPWFVNRLIYCDG-ZHALLVOQSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000879570064 597635469 /nfs/dbraw/zinc/63/54/69/597635469.db2.gz WYPWFVNRLIYCDG-ZHALLVOQSA-N 2 1 334.460 1.599 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C/C=C/CN3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)CC[C@H]21 ZINC000879577943 597641219 /nfs/dbraw/zinc/64/12/19/597641219.db2.gz OREFNVBZFSWAOG-JGLMUCMASA-N 2 1 332.536 1.595 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(CCCOC(C)(C)C)CC1 ZINC000883205214 597685248 /nfs/dbraw/zinc/68/52/48/597685248.db2.gz RDSBNKHQZPCFGI-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000883205214 597685250 /nfs/dbraw/zinc/68/52/50/597685250.db2.gz RDSBNKHQZPCFGI-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000883205214 597685252 /nfs/dbraw/zinc/68/52/52/597685252.db2.gz RDSBNKHQZPCFGI-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000883323039 597714057 /nfs/dbraw/zinc/71/40/57/597714057.db2.gz DLOXEEKPCMYOKN-MOPGFXCFSA-N 2 1 344.503 1.944 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000883323039 597714058 /nfs/dbraw/zinc/71/40/58/597714058.db2.gz DLOXEEKPCMYOKN-MOPGFXCFSA-N 2 1 344.503 1.944 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000883323039 597714061 /nfs/dbraw/zinc/71/40/61/597714061.db2.gz DLOXEEKPCMYOKN-MOPGFXCFSA-N 2 1 344.503 1.944 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878826051 597725844 /nfs/dbraw/zinc/72/58/44/597725844.db2.gz PANKDFRIRNCLRC-QLFBSQMISA-N 2 1 343.512 1.969 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)C[C@@H](O)c2ccccc2)CCO1 ZINC000879001238 597781432 /nfs/dbraw/zinc/78/14/32/597781432.db2.gz TWKXOOUVUWBPLE-GUDVDZBRSA-N 2 1 336.476 1.514 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)C[C@@H](O)c2ccccc2)CCO1 ZINC000879001238 597781434 /nfs/dbraw/zinc/78/14/34/597781434.db2.gz TWKXOOUVUWBPLE-GUDVDZBRSA-N 2 1 336.476 1.514 20 0 EDADMP C[C@]12CN(CCN3CCNC3=O)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880022560 597813208 /nfs/dbraw/zinc/81/32/08/597813208.db2.gz STRYLBGTCLRBII-PKOBYXMFSA-N 2 1 328.460 1.466 20 0 EDADMP [NH3+][C@H]1C[C@@H](CNC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883585662 597813618 /nfs/dbraw/zinc/81/36/18/597813618.db2.gz URZUVVKSCQVMGG-RVKKMQEKSA-N 2 1 343.475 1.830 20 0 EDADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)N1CC[NH2+]CC1 ZINC000883586138 597814303 /nfs/dbraw/zinc/81/43/03/597814303.db2.gz FXKYNXBGDGJBNU-QGZVFWFLSA-N 2 1 329.448 1.408 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883586601 597815486 /nfs/dbraw/zinc/81/54/86/597815486.db2.gz OLZQURIXJGFBGC-SJLPKXTDSA-N 2 1 343.475 1.797 20 0 EDADMP COCC[N@@H+](Cc1nccc(OC)c1OC)CC1CC[NH+](C)CC1 ZINC000879125772 597827876 /nfs/dbraw/zinc/82/78/76/597827876.db2.gz HTWJCXWHWRQVOL-UHFFFAOYSA-N 2 1 337.464 1.889 20 0 EDADMP COCC[N@H+](Cc1nccc(OC)c1OC)CC1CC[NH+](C)CC1 ZINC000879125772 597827877 /nfs/dbraw/zinc/82/78/77/597827877.db2.gz HTWJCXWHWRQVOL-UHFFFAOYSA-N 2 1 337.464 1.889 20 0 EDADMP CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000882484643 597973069 /nfs/dbraw/zinc/97/30/69/597973069.db2.gz IYSYFINFZIASME-INIZCTEOSA-N 2 1 348.466 1.792 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000882484643 597973071 /nfs/dbraw/zinc/97/30/71/597973071.db2.gz IYSYFINFZIASME-INIZCTEOSA-N 2 1 348.466 1.792 20 0 EDADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000884199598 598025388 /nfs/dbraw/zinc/02/53/88/598025388.db2.gz DWVSIKJDAOKVMN-INIZCTEOSA-N 2 1 326.529 1.386 20 0 EDADMP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000884212615 598031059 /nfs/dbraw/zinc/03/10/59/598031059.db2.gz JJPAFFICUSJECL-DOTOQJQBSA-N 2 1 326.444 1.638 20 0 EDADMP [NH3+][C@@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1C(F)(F)F ZINC000884292667 598057650 /nfs/dbraw/zinc/05/76/50/598057650.db2.gz IGFUXOYQTFYSSZ-CHWSQXEVSA-N 2 1 327.350 1.964 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000884363165 598081301 /nfs/dbraw/zinc/08/13/01/598081301.db2.gz XYTFIVYDSXMGHR-GRYCIOLGSA-N 2 1 326.238 1.691 20 0 EDADMP CCC[C@H]1CN(C(=O)C(C)(C)[C@@H]([NH3+])C(C)C)CC[N@H+]1CCOC ZINC000884378321 598085982 /nfs/dbraw/zinc/08/59/82/598085982.db2.gz OWDVTGAQFHBEKQ-HOTGVXAUSA-N 2 1 327.513 1.955 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(CC3CCC4(CC3)OCCO4)nn2)CC1 ZINC000881352287 598131861 /nfs/dbraw/zinc/13/18/61/598131861.db2.gz VZDAFRWRXCOPMO-UHFFFAOYSA-N 2 1 349.479 1.177 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)C[NH+]1CCCC1 ZINC000914243822 695303393 /nfs/dbraw/zinc/30/33/93/695303393.db2.gz UTABGROSJMLNEJ-DOTOQJQBSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000914337839 695369597 /nfs/dbraw/zinc/36/95/97/695369597.db2.gz PRHGYDYXGZRISO-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000914337839 695369599 /nfs/dbraw/zinc/36/95/99/695369599.db2.gz PRHGYDYXGZRISO-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000914337839 695369602 /nfs/dbraw/zinc/36/96/02/695369602.db2.gz PRHGYDYXGZRISO-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC000992839610 695399632 /nfs/dbraw/zinc/39/96/32/695399632.db2.gz BENXQEHUJKBYMO-RCCFBDPRSA-N 2 1 337.508 1.581 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)NC2C[NH+](CCC3=CCCCC3)C2)cn1 ZINC001031083483 695489468 /nfs/dbraw/zinc/48/94/68/695489468.db2.gz JINMXKLNDUKVQS-UHFFFAOYSA-N 2 1 345.491 1.749 20 0 EDADMP Cc1cc(N[C@@H]2CC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]32)nc(C)[nH+]1 ZINC001060536016 695840580 /nfs/dbraw/zinc/84/05/80/695840580.db2.gz YREZUGACYNIKNX-YESZJQIVSA-N 2 1 343.475 1.838 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CCC[N@H+]1CCCO ZINC000993319111 695966786 /nfs/dbraw/zinc/96/67/86/695966786.db2.gz WEYWDVMTSQHVNA-HZPDHXFCSA-N 2 1 325.497 1.602 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2C[NH+](CCC3CCOCC3)C2)C1 ZINC001031253986 696025158 /nfs/dbraw/zinc/02/51/58/696025158.db2.gz MSDDFLMEXDKDND-FUHWJXTLSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC001031260020 696066563 /nfs/dbraw/zinc/06/65/63/696066563.db2.gz JNLKFMMZWOZQHB-KGLIPLIRSA-N 2 1 329.435 1.954 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC001031260020 696066564 /nfs/dbraw/zinc/06/65/64/696066564.db2.gz JNLKFMMZWOZQHB-KGLIPLIRSA-N 2 1 329.435 1.954 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC001031260700 696067659 /nfs/dbraw/zinc/06/76/59/696067659.db2.gz SOXIGCJNFDQORP-AWEZNQCLSA-N 2 1 329.435 1.954 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC001031260700 696067662 /nfs/dbraw/zinc/06/76/62/696067662.db2.gz SOXIGCJNFDQORP-AWEZNQCLSA-N 2 1 329.435 1.954 20 0 EDADMP Cc1ccc(CCC[NH+]2CC(NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001031266601 696079321 /nfs/dbraw/zinc/07/93/21/696079321.db2.gz WREAVVLPYZJDHC-UHFFFAOYSA-N 2 1 327.472 1.824 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](CCc2cnn(C)c2)[C@@H]1C ZINC000993585155 696236207 /nfs/dbraw/zinc/23/62/07/696236207.db2.gz CGOZYNQUGWKQLG-NVXWUHKLSA-N 2 1 344.463 1.137 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](CCc2cnn(C)c2)[C@@H]1C ZINC000993585155 696236209 /nfs/dbraw/zinc/23/62/09/696236209.db2.gz CGOZYNQUGWKQLG-NVXWUHKLSA-N 2 1 344.463 1.137 20 0 EDADMP C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCC[N@H+]1CCOC1CCC1 ZINC000994219002 696587708 /nfs/dbraw/zinc/58/77/08/696587708.db2.gz AIKDIGZNNYPRPA-RHSMWYFYSA-N 2 1 334.464 1.501 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994253972 696656620 /nfs/dbraw/zinc/65/66/20/696656620.db2.gz OVDJQGHXJHFOBP-RDJZCZTQSA-N 2 1 345.491 1.293 20 0 EDADMP COc1cncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000940008300 700109948 /nfs/dbraw/zinc/10/99/48/700109948.db2.gz IARBUFNBHLIMIN-HNNXBMFYSA-N 2 1 347.463 1.050 20 0 EDADMP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)Cn3ccnc3)[C@@H]2C)s1 ZINC000994510330 696954534 /nfs/dbraw/zinc/95/45/34/696954534.db2.gz URBUGQLBQHMLAB-WFASDCNBSA-N 2 1 333.461 1.817 20 0 EDADMP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)Cn3ccnc3)[C@@H]2C)s1 ZINC000994510330 696954536 /nfs/dbraw/zinc/95/45/36/696954536.db2.gz URBUGQLBQHMLAB-WFASDCNBSA-N 2 1 333.461 1.817 20 0 EDADMP Cc1nc(CN2CCC(CNC(=O)NC[C@@H]3CC[N@@H+]3C)CC2)oc1C ZINC000918061175 697127628 /nfs/dbraw/zinc/12/76/28/697127628.db2.gz NHERHNPNIPNTHS-INIZCTEOSA-N 2 1 349.479 1.507 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NC2C[NH+](CC[C@H]3CCOC3)C2)o1 ZINC001031467271 697148560 /nfs/dbraw/zinc/14/85/60/697148560.db2.gz BSVGKNYPNSINHE-HNNXBMFYSA-N 2 1 349.475 1.962 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000924019328 697254350 /nfs/dbraw/zinc/25/43/50/697254350.db2.gz HIOKOXNELIZOCC-HNNXBMFYSA-N 2 1 349.479 1.710 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000924019328 697254351 /nfs/dbraw/zinc/25/43/51/697254351.db2.gz HIOKOXNELIZOCC-HNNXBMFYSA-N 2 1 349.479 1.710 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001031584705 697280040 /nfs/dbraw/zinc/28/00/40/697280040.db2.gz IADYQRPSNPHHAS-ZWKOTPCHSA-N 2 1 331.435 1.955 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1C ZINC001031596478 697296932 /nfs/dbraw/zinc/29/69/32/697296932.db2.gz LVBNZVMGRNGKFA-SFHVURJKSA-N 2 1 331.460 1.182 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1C ZINC001031596478 697296933 /nfs/dbraw/zinc/29/69/33/697296933.db2.gz LVBNZVMGRNGKFA-SFHVURJKSA-N 2 1 331.460 1.182 20 0 EDADMP CC(C)[C@@H](CNC(=O)CCCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000920759799 697475824 /nfs/dbraw/zinc/47/58/24/697475824.db2.gz KEGCCVFHWFHYHB-QGZVFWFLSA-N 2 1 325.497 1.726 20 0 EDADMP CO[C@H](C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CCCC1 ZINC001031681533 697505016 /nfs/dbraw/zinc/50/50/16/697505016.db2.gz WSNIMVMTUJVNAF-ZTFGCOKTSA-N 2 1 337.508 1.580 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3cccc(OC)n3)C2)CC[N@H+]1C ZINC001031684690 697512100 /nfs/dbraw/zinc/51/21/00/697512100.db2.gz YSRLFGUTLVDNGB-DLBZAZTESA-N 2 1 346.475 1.369 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cccc(OC)n3)C2)CC[N@@H+]1C ZINC001031684690 697512102 /nfs/dbraw/zinc/51/21/02/697512102.db2.gz YSRLFGUTLVDNGB-DLBZAZTESA-N 2 1 346.475 1.369 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cccc(OC)n3)C2)CC[N@H+]1C ZINC001031684690 697512105 /nfs/dbraw/zinc/51/21/05/697512105.db2.gz YSRLFGUTLVDNGB-DLBZAZTESA-N 2 1 346.475 1.369 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1nc(CN(C)C)cs1 ZINC000921434950 697611187 /nfs/dbraw/zinc/61/11/87/697611187.db2.gz RNCIQICONSTIKP-RISCZKNCSA-N 2 1 337.493 1.487 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCO[C@H]2CC2(F)F)C1 ZINC001031715394 697739381 /nfs/dbraw/zinc/73/93/81/697739381.db2.gz TWXMYJGLDFHGPW-CABCVRRESA-N 2 1 345.434 1.333 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCO[C@H]2CC2(F)F)C1 ZINC001031715394 697739383 /nfs/dbraw/zinc/73/93/83/697739383.db2.gz TWXMYJGLDFHGPW-CABCVRRESA-N 2 1 345.434 1.333 20 0 EDADMP CC(C)=CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727769 697978264 /nfs/dbraw/zinc/97/82/64/697978264.db2.gz SEGFAQCQCLGJDR-GOSISDBHSA-N 2 1 335.492 1.644 20 0 EDADMP O=C(NCC1C[NH+](C[C@H]2CCCCO2)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001031731982 698157477 /nfs/dbraw/zinc/15/74/77/698157477.db2.gz PRSGSULVBYLRMC-HZPDHXFCSA-N 2 1 332.448 1.378 20 0 EDADMP CC1CC(C[NH+]2CC(CNC(=O)c3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC001032079353 698265703 /nfs/dbraw/zinc/26/57/03/698265703.db2.gz WGKQJUNKFFDJNT-UHFFFAOYSA-N 2 1 339.443 1.975 20 0 EDADMP C[C@H]1C[N@@H+](CCC2CC2)CC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943516044 698430276 /nfs/dbraw/zinc/43/02/76/698430276.db2.gz KEAHXBJJBPJXJT-MAUKXSAKSA-N 2 1 347.507 1.685 20 0 EDADMP C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000943516314 698430630 /nfs/dbraw/zinc/43/06/30/698430630.db2.gz LIWRKCMIQVCOMN-YJBOKZPZSA-N 2 1 333.476 1.571 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC000940117484 700249905 /nfs/dbraw/zinc/24/99/05/700249905.db2.gz TXPLLAJQQZGUJQ-RHSMWYFYSA-N 2 1 345.491 1.596 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001031776727 699169351 /nfs/dbraw/zinc/16/93/51/699169351.db2.gz NAQKZDKDXYTUCC-GOSISDBHSA-N 2 1 331.460 1.211 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1ccnn1C ZINC000939127361 699205266 /nfs/dbraw/zinc/20/52/66/699205266.db2.gz COWKTNSKMLSFLV-HOCLYGCPSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H](F)CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941567059 701579666 /nfs/dbraw/zinc/57/96/66/701579666.db2.gz PQNVDGORQRMGSV-HOTGVXAUSA-N 2 1 340.487 1.047 20 0 EDADMP CC[C@@H](C(=O)N1CCN(C2C[NH+](Cc3ccccc3)C2)CC1)[NH+](C)C ZINC000941571162 701580848 /nfs/dbraw/zinc/58/08/48/701580848.db2.gz NBZBFGSCFVJDHH-IBGZPJMESA-N 2 1 344.503 1.355 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)oc1C ZINC000939258205 699435775 /nfs/dbraw/zinc/43/57/75/699435775.db2.gz QLCDOPBWWPBZMQ-DYVFJYSZSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)c(C)o1 ZINC000939260113 699438137 /nfs/dbraw/zinc/43/81/37/699438137.db2.gz ZFEHYTYTWVPTPD-ACJLOTCBSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000939319467 699497754 /nfs/dbraw/zinc/49/77/54/699497754.db2.gz ITTBVGBPTGVCCS-FUHWJXTLSA-N 2 1 346.475 1.049 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)nc1 ZINC000939395981 699546085 /nfs/dbraw/zinc/54/60/85/699546085.db2.gz IKIDTLLEFSKOIM-IAGOWNOFSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)c(C)o1 ZINC000939397679 699547237 /nfs/dbraw/zinc/54/72/37/699547237.db2.gz MEPYUTZLMQEQDP-KDOFPFPSSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)c(C)o1 ZINC000939397695 699547321 /nfs/dbraw/zinc/54/73/21/699547321.db2.gz MEPYUTZLMQEQDP-RDTXWAMCSA-N 2 1 348.491 1.960 20 0 EDADMP CC(C)C[NH2+][C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000939407813 699562483 /nfs/dbraw/zinc/56/24/83/699562483.db2.gz JUJBOPZLJRUFMQ-PBHICJAKSA-N 2 1 327.432 1.973 20 0 EDADMP CCc1nc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)cs1 ZINC000939550933 699700182 /nfs/dbraw/zinc/70/01/82/699700182.db2.gz QIFYTOJMRDLWBI-UKRRQHHQSA-N 2 1 348.516 1.738 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000939750307 699897961 /nfs/dbraw/zinc/89/79/61/699897961.db2.gz YQVYEPRBNOCGIZ-DOMZBBRYSA-N 2 1 347.850 1.877 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000939745943 699911624 /nfs/dbraw/zinc/91/16/24/699911624.db2.gz FGPYXKJGCDXJAM-LRDDRELGSA-N 2 1 331.420 1.379 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)n1 ZINC000939808911 699957583 /nfs/dbraw/zinc/95/75/83/699957583.db2.gz HAGNXNWCCWMLCC-RDJZCZTQSA-N 2 1 348.495 1.111 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)n1 ZINC000939811071 699959241 /nfs/dbraw/zinc/95/92/41/699959241.db2.gz QOWUMIRBZXRNTD-WBVHZDCISA-N 2 1 345.491 1.598 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940142309 700270520 /nfs/dbraw/zinc/27/05/20/700270520.db2.gz OOGLKOHYWCFBEV-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP Cn1cc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)cn1 ZINC000940154464 700284803 /nfs/dbraw/zinc/28/48/03/700284803.db2.gz YQIINLCRECSKMH-UHFFFAOYSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000940214306 700354060 /nfs/dbraw/zinc/35/40/60/700354060.db2.gz GQFYWAPNCWTNEA-INIZCTEOSA-N 2 1 334.464 1.589 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000940327709 700504589 /nfs/dbraw/zinc/50/45/89/700504589.db2.gz OZBNRIMILKRFHM-ZIAGYGMSSA-N 2 1 349.479 1.300 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000940327709 700504591 /nfs/dbraw/zinc/50/45/91/700504591.db2.gz OZBNRIMILKRFHM-ZIAGYGMSSA-N 2 1 349.479 1.300 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1 ZINC000940329511 700508808 /nfs/dbraw/zinc/50/88/08/700508808.db2.gz UXDFIODDABVONY-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3cccnc3)CC2)C1 ZINC000940329520 700508816 /nfs/dbraw/zinc/50/88/16/700508816.db2.gz UYAPHQKMHCJWHM-MRXNPFEDSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3nccn3C)CC2)C1 ZINC000940329579 700509001 /nfs/dbraw/zinc/50/90/01/700509001.db2.gz VPXDHRCZEGLMOO-OAHLLOKOSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)ncn1 ZINC000940329898 700509948 /nfs/dbraw/zinc/50/99/48/700509948.db2.gz ZNCLPAANQNKNJL-YOEHRIQHSA-N 2 1 345.491 1.453 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]Cc3cccnc3)CC2)C1 ZINC000940466707 700652917 /nfs/dbraw/zinc/65/29/17/700652917.db2.gz CNUXNALCAMERNZ-QGZVFWFLSA-N 2 1 346.475 1.273 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]Cc3cccnc3)CC2)C1 ZINC000940466707 700652918 /nfs/dbraw/zinc/65/29/18/700652918.db2.gz CNUXNALCAMERNZ-QGZVFWFLSA-N 2 1 346.475 1.273 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC000940457420 700660921 /nfs/dbraw/zinc/66/09/21/700660921.db2.gz FCCXKAHDZSTPQK-AWEZNQCLSA-N 2 1 336.505 1.874 20 0 EDADMP CC(C)c1noc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000940461463 700664614 /nfs/dbraw/zinc/66/46/14/700664614.db2.gz CCGDXNFFHUUOGA-UHFFFAOYSA-N 2 1 349.479 1.760 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCOCC2)CC1(C)C ZINC000940618166 700800024 /nfs/dbraw/zinc/80/00/24/700800024.db2.gz PIKIBERVJCJUGW-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCOCC2)CC1(C)C ZINC000940618166 700800027 /nfs/dbraw/zinc/80/00/27/700800027.db2.gz PIKIBERVJCJUGW-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)CC1(C)C ZINC000940618166 700800029 /nfs/dbraw/zinc/80/00/29/700800029.db2.gz PIKIBERVJCJUGW-IRXDYDNUSA-N 2 1 337.508 1.724 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940795164 700914165 /nfs/dbraw/zinc/91/41/65/700914165.db2.gz GLJWCCRGTMAGHR-LSDHHAIUSA-N 2 1 334.464 1.624 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940795164 700914166 /nfs/dbraw/zinc/91/41/66/700914166.db2.gz GLJWCCRGTMAGHR-LSDHHAIUSA-N 2 1 334.464 1.624 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940835279 700933334 /nfs/dbraw/zinc/93/33/34/700933334.db2.gz BEVDRGNYIMTYRT-HZPDHXFCSA-N 2 1 337.508 1.460 20 0 EDADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900007 700975403 /nfs/dbraw/zinc/97/54/03/700975403.db2.gz APTHLKFONFRZKW-ZEVUXNIQSA-N 2 1 349.519 1.866 20 0 EDADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900007 700975404 /nfs/dbraw/zinc/97/54/04/700975404.db2.gz APTHLKFONFRZKW-ZEVUXNIQSA-N 2 1 349.519 1.866 20 0 EDADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900007 700975405 /nfs/dbraw/zinc/97/54/05/700975405.db2.gz APTHLKFONFRZKW-ZEVUXNIQSA-N 2 1 349.519 1.866 20 0 EDADMP CC(C)N1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](C(C)C)CC2(C)C)C1 ZINC000940973441 701015498 /nfs/dbraw/zinc/01/54/98/701015498.db2.gz VDZKQBKJJTYTGM-HZPDHXFCSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973441 701015499 /nfs/dbraw/zinc/01/54/99/701015499.db2.gz VDZKQBKJJTYTGM-HZPDHXFCSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973441 701015501 /nfs/dbraw/zinc/01/55/01/701015501.db2.gz VDZKQBKJJTYTGM-HZPDHXFCSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](C(C)C)CC2(C)C)C1 ZINC000940973441 701015503 /nfs/dbraw/zinc/01/55/03/701015503.db2.gz VDZKQBKJJTYTGM-HZPDHXFCSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](C(C)C)CC2(C)C)C1 ZINC000940973441 701015505 /nfs/dbraw/zinc/01/55/05/701015505.db2.gz VDZKQBKJJTYTGM-HZPDHXFCSA-N 2 1 325.497 1.721 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CN(Cc3ccc(F)cn3)C2)C1 ZINC001031917378 701028679 /nfs/dbraw/zinc/02/86/79/701028679.db2.gz YKRVXVPJCYURCC-INIZCTEOSA-N 2 1 348.466 1.891 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941032564 701074276 /nfs/dbraw/zinc/07/42/76/701074276.db2.gz ILQXSZSCBGCNSX-RDJZCZTQSA-N 2 1 348.491 1.617 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941032564 701074279 /nfs/dbraw/zinc/07/42/79/701074279.db2.gz ILQXSZSCBGCNSX-RDJZCZTQSA-N 2 1 348.491 1.617 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941215911 701402368 /nfs/dbraw/zinc/40/23/68/701402368.db2.gz BGJCLQBNKJAEKD-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215911 701402370 /nfs/dbraw/zinc/40/23/70/701402370.db2.gz BGJCLQBNKJAEKD-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215911 701402372 /nfs/dbraw/zinc/40/23/72/701402372.db2.gz BGJCLQBNKJAEKD-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)c(C)o1 ZINC000941216504 701402938 /nfs/dbraw/zinc/40/29/38/701402938.db2.gz DKVULJCQIWSEDX-WBVHZDCISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)c(C)o1 ZINC000941216504 701402939 /nfs/dbraw/zinc/40/29/39/701402939.db2.gz DKVULJCQIWSEDX-WBVHZDCISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)c(C)o1 ZINC000941216504 701402940 /nfs/dbraw/zinc/40/29/40/701402940.db2.gz DKVULJCQIWSEDX-WBVHZDCISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)c(C)o1 ZINC000941216504 701402941 /nfs/dbraw/zinc/40/29/41/701402941.db2.gz DKVULJCQIWSEDX-WBVHZDCISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948386 701514539 /nfs/dbraw/zinc/51/45/39/701514539.db2.gz XQMAOZJPSTWIQY-UHFFFAOYSA-N 2 1 336.505 1.650 20 0 EDADMP CCC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941436979 701540232 /nfs/dbraw/zinc/54/02/32/701540232.db2.gz NAZNFIBNZVGCKP-KRWDZBQOSA-N 2 1 336.524 1.488 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sn1 ZINC000999188588 706629914 /nfs/dbraw/zinc/62/99/14/706629914.db2.gz BSMBMSHOMYSBRK-IIAWOOMASA-N 2 1 336.505 1.872 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3coc(C4CC4)n3)C2)CC[N@@H+]1C ZINC000999189016 706630925 /nfs/dbraw/zinc/63/09/25/706630925.db2.gz GEXYHJNSDCFHPY-UKPHBRMFSA-N 2 1 346.475 1.973 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3coc(C4CC4)n3)C2)CC[N@H+]1C ZINC000999189016 706630927 /nfs/dbraw/zinc/63/09/27/706630927.db2.gz GEXYHJNSDCFHPY-UKPHBRMFSA-N 2 1 346.475 1.973 20 0 EDADMP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999191304 706633873 /nfs/dbraw/zinc/63/38/73/706633873.db2.gz XGPVCSYLYDJHLJ-KBAYOESNSA-N 2 1 330.476 1.811 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(F)cn3)C2)CC[N@H+]1C ZINC000999191509 706634047 /nfs/dbraw/zinc/63/40/47/706634047.db2.gz YSFZXYOVGVQFGQ-XOKHGSTOSA-N 2 1 334.439 1.642 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995826712 702099453 /nfs/dbraw/zinc/09/94/53/702099453.db2.gz RPTCNOFMRAXWHH-UNEWFSDZSA-N 2 1 348.491 1.958 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)CC[N@H+]1C ZINC000995827770 702101552 /nfs/dbraw/zinc/10/15/52/702101552.db2.gz WGCWYGDBCVTQMZ-KBRIMQKVSA-N 2 1 348.466 1.888 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2(C)C)no1 ZINC000995820113 702137156 /nfs/dbraw/zinc/13/71/56/702137156.db2.gz GCHOFYHLYFHROH-SJORKVTESA-N 2 1 346.475 1.651 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCc4c3c(F)ccc4F)C2)C1 ZINC001032182928 702152598 /nfs/dbraw/zinc/15/25/98/702152598.db2.gz WBYLXDQRZBDNPB-SUMWQHHRSA-N 2 1 349.425 1.952 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCc4c3c(F)ccc4F)C2)C1 ZINC001032182928 702152602 /nfs/dbraw/zinc/15/26/02/702152602.db2.gz WBYLXDQRZBDNPB-SUMWQHHRSA-N 2 1 349.425 1.952 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995871364 702175082 /nfs/dbraw/zinc/17/50/82/702175082.db2.gz KSVIQZVOLGWCOQ-IRXDYDNUSA-N 2 1 347.507 1.584 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1)C1CCC1 ZINC000995918672 702237906 /nfs/dbraw/zinc/23/79/06/702237906.db2.gz OQSXTOQRLJNTKO-IRXDYDNUSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1nnc(CN[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995920102 702240672 /nfs/dbraw/zinc/24/06/72/702240672.db2.gz SHVGPCBUMMPGJT-CQSZACIVSA-N 2 1 335.452 1.189 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1)C1CCC1 ZINC000995920778 702242346 /nfs/dbraw/zinc/24/23/46/702242346.db2.gz VLVKPJKQJLRNEI-QGZVFWFLSA-N 2 1 330.476 1.893 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000995912572 702270484 /nfs/dbraw/zinc/27/04/84/702270484.db2.gz FWXPOYNMFMYAEF-HZPDHXFCSA-N 2 1 345.491 1.678 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000995912572 702270489 /nfs/dbraw/zinc/27/04/89/702270489.db2.gz FWXPOYNMFMYAEF-HZPDHXFCSA-N 2 1 345.491 1.678 20 0 EDADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C)c1nncn1C ZINC000995916394 702277606 /nfs/dbraw/zinc/27/76/06/702277606.db2.gz IJXUMPYSSWPUKI-DZGCQCFKSA-N 2 1 348.495 1.187 20 0 EDADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C)c1nncn1C ZINC000995916394 702277607 /nfs/dbraw/zinc/27/76/07/702277607.db2.gz IJXUMPYSSWPUKI-DZGCQCFKSA-N 2 1 348.495 1.187 20 0 EDADMP COc1ccc(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032185869 702310433 /nfs/dbraw/zinc/31/04/33/702310433.db2.gz DLJGPYNCJZOPSC-MRXNPFEDSA-N 2 1 331.460 1.503 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CCC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944169330 702411162 /nfs/dbraw/zinc/41/11/62/702411162.db2.gz OBLXAXYESIOFBY-NVXWUHKLSA-N 2 1 335.492 1.478 20 0 EDADMP Cc1nnsc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944171541 702417621 /nfs/dbraw/zinc/41/76/21/702417621.db2.gz YEKFVCZRAYSYRX-GXTWGEPZSA-N 2 1 349.504 1.269 20 0 EDADMP Cc1nnsc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944171541 702417625 /nfs/dbraw/zinc/41/76/25/702417625.db2.gz YEKFVCZRAYSYRX-GXTWGEPZSA-N 2 1 349.504 1.269 20 0 EDADMP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)on1 ZINC000995195039 702421476 /nfs/dbraw/zinc/42/14/76/702421476.db2.gz HWHFQBGFIXDQTG-GJZGRUSLSA-N 2 1 331.420 1.563 20 0 EDADMP Cc1cccnc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944155308 702448456 /nfs/dbraw/zinc/44/84/56/702448456.db2.gz MFRABYCYDVUBCU-IRXDYDNUSA-N 2 1 342.487 1.812 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CCC1CC1 ZINC000996071006 702482085 /nfs/dbraw/zinc/48/20/85/702482085.db2.gz NFOGRAVKRRZUEP-ASPXRTSYSA-N 2 1 347.503 1.476 20 0 EDADMP Cc1nnsc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995207190 702663812 /nfs/dbraw/zinc/66/38/12/702663812.db2.gz DKWYYXGDKKMQPV-ZIAGYGMSSA-N 2 1 348.476 1.426 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC2)CC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942207144 702712561 /nfs/dbraw/zinc/71/25/61/702712561.db2.gz JRZMKYHZYWXTMM-CJNGLKHVSA-N 2 1 334.464 1.977 20 0 EDADMP C[C@@H]1C[N@@H+](CCC2CC2)CC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942207144 702712563 /nfs/dbraw/zinc/71/25/63/702712563.db2.gz JRZMKYHZYWXTMM-CJNGLKHVSA-N 2 1 334.464 1.977 20 0 EDADMP CCn1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)n1 ZINC000995217288 702737449 /nfs/dbraw/zinc/73/74/49/702737449.db2.gz WJIVOERNZROJSV-CVEARBPZSA-N 2 1 344.463 1.483 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)cn1 ZINC000996463547 702791229 /nfs/dbraw/zinc/79/12/29/702791229.db2.gz HTWVYWWDCRJWRM-SFHVURJKSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)[nH]1 ZINC000996465765 702793134 /nfs/dbraw/zinc/79/31/34/702793134.db2.gz YNMURLCLBDJOJE-BBRMVZONSA-N 2 1 348.495 1.628 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)n1 ZINC000996476219 702808339 /nfs/dbraw/zinc/80/83/39/702808339.db2.gz DXBJQGFHHGKWRF-GOEBONIOSA-N 2 1 347.463 1.333 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)n1 ZINC000996476219 702808342 /nfs/dbraw/zinc/80/83/42/702808342.db2.gz DXBJQGFHHGKWRF-GOEBONIOSA-N 2 1 347.463 1.333 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000996606373 702909664 /nfs/dbraw/zinc/90/96/64/702909664.db2.gz GWMWCNHCACYCQY-UKRRQHHQSA-N 2 1 349.479 1.614 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996606373 702909665 /nfs/dbraw/zinc/90/96/65/702909665.db2.gz GWMWCNHCACYCQY-UKRRQHHQSA-N 2 1 349.479 1.614 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cn(C)nc3C)CC2)CC[N@H+]1C ZINC000996603989 702913598 /nfs/dbraw/zinc/91/35/98/702913598.db2.gz PEZMRDLEYJJAEE-ZWKOTPCHSA-N 2 1 347.507 1.539 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cnc(C)cn3)CC2)CC[N@H+]1C ZINC000996604636 702914103 /nfs/dbraw/zinc/91/41/03/702914103.db2.gz VVWHQDYFUNMZQF-ZWKOTPCHSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)C(C)(C)C1 ZINC000996623970 702921661 /nfs/dbraw/zinc/92/16/61/702921661.db2.gz OPYSLNFVYHGFBW-QGZVFWFLSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)ncn1 ZINC000996615920 702923381 /nfs/dbraw/zinc/92/33/81/702923381.db2.gz RXIKIVRVOYROTB-GDBMZVCRSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)nc1 ZINC000996666943 702963649 /nfs/dbraw/zinc/96/36/49/702963649.db2.gz USUNZTZWSDANGS-UHFFFAOYSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)co1 ZINC000996674864 702969944 /nfs/dbraw/zinc/96/99/44/702969944.db2.gz DDSLEENITJDTFT-INIZCTEOSA-N 2 1 343.431 1.838 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)o1 ZINC000996669089 702970622 /nfs/dbraw/zinc/97/06/22/702970622.db2.gz FPDFXTBTFLYXLN-UHFFFAOYSA-N 2 1 349.479 1.758 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)[nH]1 ZINC000996672189 702973161 /nfs/dbraw/zinc/97/31/61/702973161.db2.gz LJBPMGVYHPTTNX-GFCCVEGCSA-N 2 1 334.468 1.239 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996680106 702978844 /nfs/dbraw/zinc/97/88/44/702978844.db2.gz SOUFAZAZXXNBFA-MRXNPFEDSA-N 2 1 349.479 1.614 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)on1 ZINC000996688196 702985279 /nfs/dbraw/zinc/98/52/79/702985279.db2.gz GOURVSIXGWRFLY-INIZCTEOSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)sn1 ZINC000942518272 703012243 /nfs/dbraw/zinc/01/22/43/703012243.db2.gz PFZCBIKDWJBLFX-BLLLJJGKSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)sn1 ZINC000942518272 703012246 /nfs/dbraw/zinc/01/22/46/703012246.db2.gz PFZCBIKDWJBLFX-BLLLJJGKSA-N 2 1 347.488 1.983 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000996726046 703021086 /nfs/dbraw/zinc/02/10/86/703021086.db2.gz VQHUNYGABZVWEU-DZGCQCFKSA-N 2 1 349.479 1.758 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000942521660 703023980 /nfs/dbraw/zinc/02/39/80/703023980.db2.gz YEYIPYPIFJJWOS-ZBFHGGJFSA-N 2 1 330.476 1.999 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000942521660 703023982 /nfs/dbraw/zinc/02/39/82/703023982.db2.gz YEYIPYPIFJJWOS-ZBFHGGJFSA-N 2 1 330.476 1.999 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001032027826 703049652 /nfs/dbraw/zinc/04/96/52/703049652.db2.gz ZHIVNAVAUUUMKO-AEFFLSMTSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]Cc3cncn3C)CC2)CC[N@H+]1C ZINC000996925175 703199115 /nfs/dbraw/zinc/19/91/15/703199115.db2.gz YMHABIBRIVSOPP-GJZGRUSLSA-N 2 1 333.480 1.231 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC000996997766 703254560 /nfs/dbraw/zinc/25/45/60/703254560.db2.gz GMYXZUGSWDTAKU-UONOGXRCSA-N 2 1 349.479 1.758 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC000997004497 703261658 /nfs/dbraw/zinc/26/16/58/703261658.db2.gz DIZBZAFHDIVNMB-ZBFHGGJFSA-N 2 1 345.491 1.768 20 0 EDADMP COc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000997006447 703263990 /nfs/dbraw/zinc/26/39/90/703263990.db2.gz GJNMJVIMDWRTSE-RDTXWAMCSA-N 2 1 346.475 1.369 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000997003581 703267739 /nfs/dbraw/zinc/26/77/39/703267739.db2.gz CEXOBIXBPJRQEE-UHFFFAOYSA-N 2 1 335.452 1.191 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)o1 ZINC000997057114 703302768 /nfs/dbraw/zinc/30/27/68/703302768.db2.gz IXLIDQIPZQTYSH-UHFFFAOYSA-N 2 1 349.479 1.445 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC000997059396 703304952 /nfs/dbraw/zinc/30/49/52/703304952.db2.gz CQVVPZVPZKPLOO-MRXNPFEDSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC000997065141 703309596 /nfs/dbraw/zinc/30/95/96/703309596.db2.gz YUXXUHVDWNOGNI-QGZVFWFLSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000997065671 703310045 /nfs/dbraw/zinc/31/00/45/703310045.db2.gz SYRJBXKIUWBFDG-UHFFFAOYSA-N 2 1 344.463 1.521 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000997093657 703341012 /nfs/dbraw/zinc/34/10/12/703341012.db2.gz KSGMSLSDZRNYHD-UHFFFAOYSA-N 2 1 349.450 1.629 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)C1 ZINC000997185851 703474846 /nfs/dbraw/zinc/47/48/46/703474846.db2.gz SVJDXMRISBNFIA-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1)C2 ZINC000997296602 703555318 /nfs/dbraw/zinc/55/53/18/703555318.db2.gz DOTLJOZCKCZWKY-PBHICJAKSA-N 2 1 348.491 1.353 20 0 EDADMP COc1ccc(F)cc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997297001 703555567 /nfs/dbraw/zinc/55/55/67/703555567.db2.gz CJPMOJQXQASRBH-AWEZNQCLSA-N 2 1 349.450 1.867 20 0 EDADMP CC(C)c1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997299901 703557248 /nfs/dbraw/zinc/55/72/48/703557248.db2.gz QZDYTIWTVKHALQ-ZIAGYGMSSA-N 2 1 349.479 1.786 20 0 EDADMP CC(C)c1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997299901 703557250 /nfs/dbraw/zinc/55/72/50/703557250.db2.gz QZDYTIWTVKHALQ-ZIAGYGMSSA-N 2 1 349.479 1.786 20 0 EDADMP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC000997308098 703566200 /nfs/dbraw/zinc/56/62/00/703566200.db2.gz AQOKVYROGATEBS-UHFFFAOYSA-N 2 1 344.463 1.286 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000997366945 703600958 /nfs/dbraw/zinc/60/09/58/703600958.db2.gz QVYZBJWEADBURI-CRAIPNDOSA-N 2 1 345.491 1.993 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C2CC[NH+](CC=C(C)C)CC2)C1 ZINC000997436247 703665421 /nfs/dbraw/zinc/66/54/21/703665421.db2.gz SDWGDFOBFAZOGJ-AEFFLSMTSA-N 2 1 337.508 1.890 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C2CC[NH+](CC=C(C)C)CC2)C1 ZINC000997436247 703665423 /nfs/dbraw/zinc/66/54/23/703665423.db2.gz SDWGDFOBFAZOGJ-AEFFLSMTSA-N 2 1 337.508 1.890 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCOC2CCC2)CC1 ZINC000997422837 703671297 /nfs/dbraw/zinc/67/12/97/703671297.db2.gz ZQNLYNCAYUOJNI-WBVHZDCISA-N 2 1 337.508 1.724 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)Cc1ccccc1)[NH+](C)C ZINC001032475208 703695333 /nfs/dbraw/zinc/69/53/33/703695333.db2.gz WWXCDFFXGNQZTF-CADBVGFASA-N 2 1 345.487 1.215 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)Cc1ccccc1)[NH+](C)C ZINC001032475208 703695335 /nfs/dbraw/zinc/69/53/35/703695335.db2.gz WWXCDFFXGNQZTF-CADBVGFASA-N 2 1 345.487 1.215 20 0 EDADMP CCn1nc(C)c(CN[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995550488 703953798 /nfs/dbraw/zinc/95/37/98/703953798.db2.gz JQHBZKKYJUPVQA-HOTGVXAUSA-N 2 1 348.495 1.027 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995550488 703953803 /nfs/dbraw/zinc/95/38/03/703953803.db2.gz JQHBZKKYJUPVQA-HOTGVXAUSA-N 2 1 348.495 1.027 20 0 EDADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995553753 703965482 /nfs/dbraw/zinc/96/54/82/703965482.db2.gz SZEUBVLEMWXFDE-JKSUJKDBSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033080820 704135488 /nfs/dbraw/zinc/13/54/88/704135488.db2.gz JOITXJAQKZSRBG-ZWKOTPCHSA-N 2 1 342.487 1.765 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033081480 704136754 /nfs/dbraw/zinc/13/67/54/704136754.db2.gz JUCJZAWXNILTEH-WMZOPIPTSA-N 2 1 337.508 1.556 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](CCCO)C1 ZINC001033081480 704136756 /nfs/dbraw/zinc/13/67/56/704136756.db2.gz JUCJZAWXNILTEH-WMZOPIPTSA-N 2 1 337.508 1.556 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](CCCO)C1 ZINC001033081480 704136758 /nfs/dbraw/zinc/13/67/58/704136758.db2.gz JUCJZAWXNILTEH-WMZOPIPTSA-N 2 1 337.508 1.556 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033081737 704137496 /nfs/dbraw/zinc/13/74/96/704137496.db2.gz NSPMQNOFEKDJHN-QZTJIDSGSA-N 2 1 345.491 1.103 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033079927 704144014 /nfs/dbraw/zinc/14/40/14/704144014.db2.gz AIWKOBGSROZZDC-QZTJIDSGSA-N 2 1 328.460 1.456 20 0 EDADMP CC[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084711 704154890 /nfs/dbraw/zinc/15/48/90/704154890.db2.gz KKANFESLCSOYLT-HOTGVXAUSA-N 2 1 335.496 1.637 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCOCC3)C2)CC[N@H+]1C ZINC001033090568 704172821 /nfs/dbraw/zinc/17/28/21/704172821.db2.gz CNFCEPGUISCQAJ-KBAYOESNSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC3CCOCC3)C2)CC[NH+]1C ZINC001033090568 704172825 /nfs/dbraw/zinc/17/28/25/704172825.db2.gz CNFCEPGUISCQAJ-KBAYOESNSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCOCC3)C2)CC[NH+]1C ZINC001033090568 704172826 /nfs/dbraw/zinc/17/28/26/704172826.db2.gz CNFCEPGUISCQAJ-KBAYOESNSA-N 2 1 337.508 1.676 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC3CCC3)CC2)C1 ZINC001004383481 704362527 /nfs/dbraw/zinc/36/25/27/704362527.db2.gz YWDZXHWLQZHTHW-RBUKOAKNSA-N 2 1 349.519 1.820 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC3CCC3)CC2)C1 ZINC001004383481 704362530 /nfs/dbraw/zinc/36/25/30/704362530.db2.gz YWDZXHWLQZHTHW-RBUKOAKNSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC3CCC3)CC2)C1 ZINC001004383481 704362533 /nfs/dbraw/zinc/36/25/33/704362533.db2.gz YWDZXHWLQZHTHW-RBUKOAKNSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC3CCC3)CC2)C1 ZINC001004383481 704362535 /nfs/dbraw/zinc/36/25/35/704362535.db2.gz YWDZXHWLQZHTHW-RBUKOAKNSA-N 2 1 349.519 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000999311263 706814047 /nfs/dbraw/zinc/81/40/47/706814047.db2.gz ZZVCOZCQFUBEMN-UKRRQHHQSA-N 2 1 337.493 1.493 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCOC1)[NH+]1CCCC1 ZINC001032557362 704736420 /nfs/dbraw/zinc/73/64/20/704736420.db2.gz HOJWIKZKDSHPTI-IKGGRYGDSA-N 2 1 335.492 1.573 20 0 EDADMP Cn1cc(C[NH2+]CC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)nn1 ZINC000997840736 704757136 /nfs/dbraw/zinc/75/71/36/704757136.db2.gz QJPMSYOOEIMQPI-QGZVFWFLSA-N 2 1 348.495 1.018 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000997860438 704769188 /nfs/dbraw/zinc/76/91/88/704769188.db2.gz HEZYTIGLLXRVPL-YJBOKZPZSA-N 2 1 330.476 1.750 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000997860886 704771293 /nfs/dbraw/zinc/77/12/93/704771293.db2.gz CUPLUSPIZNBTJP-CJNGLKHVSA-N 2 1 349.479 1.752 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1)c1nncn1C ZINC000997865167 704772374 /nfs/dbraw/zinc/77/23/74/704772374.db2.gz LSPXVTMLLXVJIQ-ZBFHGGJFSA-N 2 1 348.495 1.189 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)cn1 ZINC000944945228 704798274 /nfs/dbraw/zinc/79/82/74/704798274.db2.gz QDINOOWHADVKHS-WBVHZDCISA-N 2 1 346.475 1.513 20 0 EDADMP O=C([C@H]1COCCN1C1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC1 ZINC001032585557 705068268 /nfs/dbraw/zinc/06/82/68/705068268.db2.gz MUXFUKCIJHJRHX-GBESFXJTSA-N 2 1 347.503 1.715 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)C1 ZINC000997997457 705152487 /nfs/dbraw/zinc/15/24/87/705152487.db2.gz UEXZKKHRKYLLRS-INIZCTEOSA-N 2 1 349.479 1.520 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)oc1C ZINC000998080505 705306278 /nfs/dbraw/zinc/30/62/78/705306278.db2.gz BRTYVRPEBUOLMP-SUMWQHHRSA-N 2 1 348.491 1.817 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1)c1nncn1C ZINC000998082528 705309918 /nfs/dbraw/zinc/30/99/18/705309918.db2.gz QJWSORMOEMGBEZ-LSDHHAIUSA-N 2 1 348.495 1.046 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000998083032 705311132 /nfs/dbraw/zinc/31/11/32/705311132.db2.gz SXXVUWPWGLXALE-OAHLLOKOSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000998084112 705314770 /nfs/dbraw/zinc/31/47/70/705314770.db2.gz ZQSZHUVDULBUCW-CZUORRHYSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)n1 ZINC000998135558 705394168 /nfs/dbraw/zinc/39/41/68/705394168.db2.gz IZVXICXQFOQLCG-UHFFFAOYSA-N 2 1 349.479 1.438 20 0 EDADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998165941 705456777 /nfs/dbraw/zinc/45/67/77/705456777.db2.gz OGMGAXMTMBDHMN-GOSISDBHSA-N 2 1 339.524 1.802 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC000998176772 705473367 /nfs/dbraw/zinc/47/33/67/705473367.db2.gz OBISMNUIJBQVDH-QZTJIDSGSA-N 2 1 349.519 1.822 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+][C@@H](C)c2cnccn2)CC1 ZINC000998270729 705649288 /nfs/dbraw/zinc/64/92/88/705649288.db2.gz YXAZHQGYTVRPKR-AWEZNQCLSA-N 2 1 342.447 1.571 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000998547858 705982679 /nfs/dbraw/zinc/98/26/79/705982679.db2.gz BFSYYUHEPDEYJQ-JXQTWKCFSA-N 2 1 335.452 1.195 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000998547858 705982683 /nfs/dbraw/zinc/98/26/83/705982683.db2.gz BFSYYUHEPDEYJQ-JXQTWKCFSA-N 2 1 335.452 1.195 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000998548335 705983817 /nfs/dbraw/zinc/98/38/17/705983817.db2.gz GNFBINXBXVMDGR-NRXISQOPSA-N 2 1 336.867 1.908 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ccc3nonc3c2)C1 ZINC000998549489 705985808 /nfs/dbraw/zinc/98/58/08/705985808.db2.gz LFJZWIKGSUKZTA-KVULBXGLSA-N 2 1 343.431 1.396 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2cc(CO)ccc2F)C1 ZINC000998550473 705987164 /nfs/dbraw/zinc/98/71/64/705987164.db2.gz MGGYNTRWSHQBQU-HTWSVDAQSA-N 2 1 349.450 1.491 20 0 EDADMP CC(C)n1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC000998552889 705990451 /nfs/dbraw/zinc/99/04/51/705990451.db2.gz UOXBREXFDILFGP-BCLQGDPASA-N 2 1 334.468 1.032 20 0 EDADMP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998553282 705991069 /nfs/dbraw/zinc/99/10/69/705991069.db2.gz VUOQIEZNKRAAOZ-GPANFISMSA-N 2 1 332.448 1.263 20 0 EDADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1C ZINC000998586216 706024887 /nfs/dbraw/zinc/02/48/87/706024887.db2.gz OONZKVJVRQXNNB-CTWPCTMYSA-N 2 1 345.487 1.713 20 0 EDADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1C ZINC000998586216 706024889 /nfs/dbraw/zinc/02/48/89/706024889.db2.gz OONZKVJVRQXNNB-CTWPCTMYSA-N 2 1 345.487 1.713 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2conc2C)C1 ZINC000998866633 706296382 /nfs/dbraw/zinc/29/63/82/706296382.db2.gz MSCWXLPPGGVGEF-OFLPRAFFSA-N 2 1 334.464 1.936 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998868324 706297530 /nfs/dbraw/zinc/29/75/30/706297530.db2.gz WUNLKHAYKZVJRI-OFLPRAFFSA-N 2 1 333.480 1.374 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(C)nn2)C1 ZINC000999034857 706449780 /nfs/dbraw/zinc/44/97/80/706449780.db2.gz FFIQGSVWWHZDJZ-BDVYOWHSSA-N 2 1 348.495 1.015 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999128305 706530047 /nfs/dbraw/zinc/53/00/47/706530047.db2.gz WBBRKZGJYWZGOU-UHFFFAOYSA-N 2 1 342.443 1.463 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]2CC1 ZINC000946518039 706555039 /nfs/dbraw/zinc/55/50/39/706555039.db2.gz MVQZZJZPYYUMQV-HLLBOEOZSA-N 2 1 332.448 1.439 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]2CC1 ZINC000946518039 706555041 /nfs/dbraw/zinc/55/50/41/706555041.db2.gz MVQZZJZPYYUMQV-HLLBOEOZSA-N 2 1 332.448 1.439 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]2CC1 ZINC000946518039 706555043 /nfs/dbraw/zinc/55/50/43/706555043.db2.gz MVQZZJZPYYUMQV-HLLBOEOZSA-N 2 1 332.448 1.439 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC([NH2+]CC2CCCC2)C1 ZINC000999143929 706557617 /nfs/dbraw/zinc/55/76/17/706557617.db2.gz RHMQUCAQAMQTPL-AZRLCKCBSA-N 2 1 347.503 1.619 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC([NH2+]CC2CCC2)C1 ZINC000999143882 706557707 /nfs/dbraw/zinc/55/77/07/706557707.db2.gz RASNTTLZFJYIPA-WCWCZOKXSA-N 2 1 333.476 1.229 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)ncn1 ZINC000999144268 706558099 /nfs/dbraw/zinc/55/80/99/706558099.db2.gz KYRZFIRSURMZHZ-SJLPKXTDSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000999318358 706826387 /nfs/dbraw/zinc/82/63/87/706826387.db2.gz RSNIIJVXANCNPF-KRWDZBQOSA-N 2 1 327.432 1.827 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC000999351693 706864845 /nfs/dbraw/zinc/86/48/45/706864845.db2.gz HECKDGXJRRDWQU-CVEARBPZSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC000999351693 706864849 /nfs/dbraw/zinc/86/48/49/706864849.db2.gz HECKDGXJRRDWQU-CVEARBPZSA-N 2 1 348.495 1.159 20 0 EDADMP Cc1oncc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999399653 706894427 /nfs/dbraw/zinc/89/44/27/706894427.db2.gz IXCFTNXLTRJMIP-SJORKVTESA-N 2 1 334.464 1.938 20 0 EDADMP CCCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999511975 707010637 /nfs/dbraw/zinc/01/06/37/707010637.db2.gz NXBKOHUIVPFCAK-CVEARBPZSA-N 2 1 348.495 1.253 20 0 EDADMP CCCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999511975 707010639 /nfs/dbraw/zinc/01/06/39/707010639.db2.gz NXBKOHUIVPFCAK-CVEARBPZSA-N 2 1 348.495 1.253 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999512455 707011065 /nfs/dbraw/zinc/01/10/65/707011065.db2.gz PUOCBRFYHGJEEI-HZPDHXFCSA-N 2 1 348.495 1.171 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999512455 707011067 /nfs/dbraw/zinc/01/10/67/707011067.db2.gz PUOCBRFYHGJEEI-HZPDHXFCSA-N 2 1 348.495 1.171 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC000999688555 707243314 /nfs/dbraw/zinc/24/33/14/707243314.db2.gz OBWVPQDVQWJULC-HSBZDZAISA-N 2 1 335.452 1.053 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC000999688555 707243318 /nfs/dbraw/zinc/24/33/18/707243318.db2.gz OBWVPQDVQWJULC-HSBZDZAISA-N 2 1 335.452 1.053 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033265858 707291042 /nfs/dbraw/zinc/29/10/42/707291042.db2.gz KNWZVTPLTYUYOI-QZTJIDSGSA-N 2 1 342.443 1.458 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033265858 707291046 /nfs/dbraw/zinc/29/10/46/707291046.db2.gz KNWZVTPLTYUYOI-QZTJIDSGSA-N 2 1 342.443 1.458 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033276663 707340757 /nfs/dbraw/zinc/34/07/57/707340757.db2.gz DTBOSQHPSGHTRS-ASPXRTSYSA-N 2 1 349.519 1.819 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033276663 707340760 /nfs/dbraw/zinc/34/07/60/707340760.db2.gz DTBOSQHPSGHTRS-ASPXRTSYSA-N 2 1 349.519 1.819 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033276663 707340764 /nfs/dbraw/zinc/34/07/64/707340764.db2.gz DTBOSQHPSGHTRS-ASPXRTSYSA-N 2 1 349.519 1.819 20 0 EDADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001033274472 707352576 /nfs/dbraw/zinc/35/25/76/707352576.db2.gz YYDYSSNIJADKSH-CRAIPNDOSA-N 2 1 342.443 1.907 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)ccn1 ZINC000999838791 707410401 /nfs/dbraw/zinc/41/04/01/707410401.db2.gz XIHJJUJJKRZGJB-UHFFFAOYSA-N 2 1 343.431 1.374 20 0 EDADMP CN(C)C(=O)c1cccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000921687124 707415052 /nfs/dbraw/zinc/41/50/52/707415052.db2.gz XNVWGZRSRPFEHK-UHFFFAOYSA-N 2 1 346.519 1.752 20 0 EDADMP COCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001033299185 707443423 /nfs/dbraw/zinc/44/34/23/707443423.db2.gz AIDPYTDPAZXYLZ-KRWDZBQOSA-N 2 1 328.416 1.665 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199758 707452413 /nfs/dbraw/zinc/45/24/13/707452413.db2.gz XURPFAMRYNLGJG-SJORKVTESA-N 2 1 333.480 1.246 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199758 707452414 /nfs/dbraw/zinc/45/24/14/707452414.db2.gz XURPFAMRYNLGJG-SJORKVTESA-N 2 1 333.480 1.246 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033199758 707452416 /nfs/dbraw/zinc/45/24/16/707452416.db2.gz XURPFAMRYNLGJG-SJORKVTESA-N 2 1 333.480 1.246 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033199758 707452418 /nfs/dbraw/zinc/45/24/18/707452418.db2.gz XURPFAMRYNLGJG-SJORKVTESA-N 2 1 333.480 1.246 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nc(C(F)F)no2)C1 ZINC000999833682 707465401 /nfs/dbraw/zinc/46/54/01/707465401.db2.gz BMQARPGQAJFENH-WHXUTIOJSA-N 2 1 343.378 1.038 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nc(C(F)F)no2)C1 ZINC000999833682 707465402 /nfs/dbraw/zinc/46/54/02/707465402.db2.gz BMQARPGQAJFENH-WHXUTIOJSA-N 2 1 343.378 1.038 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)on2)C1 ZINC000999876625 707524354 /nfs/dbraw/zinc/52/43/54/707524354.db2.gz PXCMSHULZVDAFA-PREGVCBESA-N 2 1 334.464 1.936 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)on2)C1 ZINC000999876625 707524357 /nfs/dbraw/zinc/52/43/57/707524357.db2.gz PXCMSHULZVDAFA-PREGVCBESA-N 2 1 334.464 1.936 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000999876905 707525270 /nfs/dbraw/zinc/52/52/70/707525270.db2.gz WYGGOOZETZGBOG-OFLPRAFFSA-N 2 1 333.480 1.337 20 0 EDADMP CCn1ncnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000999876870 707525311 /nfs/dbraw/zinc/52/53/11/707525311.db2.gz VBOCIJWGJJQGQD-GPANFISMSA-N 2 1 348.495 1.251 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnoc2C)C1 ZINC000999877012 707525326 /nfs/dbraw/zinc/52/53/26/707525326.db2.gz XLIXAXRZDXNLII-JCYILVPMSA-N 2 1 334.464 1.936 20 0 EDADMP C[C@H](NCc1cnn(C)n1)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004876235 707541490 /nfs/dbraw/zinc/54/14/90/707541490.db2.gz HSUCROVBYYTUOG-YOEHRIQHSA-N 2 1 348.495 1.159 20 0 EDADMP C[C@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004876235 707541496 /nfs/dbraw/zinc/54/14/96/707541496.db2.gz HSUCROVBYYTUOG-YOEHRIQHSA-N 2 1 348.495 1.159 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[NH+](C(C)C)C2)nn1 ZINC000999986954 707659179 /nfs/dbraw/zinc/65/91/79/707659179.db2.gz LAXNQVXYCZRFBA-DLBZAZTESA-N 2 1 348.495 1.424 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000999986954 707659184 /nfs/dbraw/zinc/65/91/84/707659184.db2.gz LAXNQVXYCZRFBA-DLBZAZTESA-N 2 1 348.495 1.424 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999986954 707659186 /nfs/dbraw/zinc/65/91/86/707659186.db2.gz LAXNQVXYCZRFBA-DLBZAZTESA-N 2 1 348.495 1.424 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033359468 707685633 /nfs/dbraw/zinc/68/56/33/707685633.db2.gz ZTPUPADWWNMVHH-XIRDDKMYSA-N 2 1 345.491 1.548 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033359468 707685636 /nfs/dbraw/zinc/68/56/36/707685636.db2.gz ZTPUPADWWNMVHH-XIRDDKMYSA-N 2 1 345.491 1.548 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033359468 707685638 /nfs/dbraw/zinc/68/56/38/707685638.db2.gz ZTPUPADWWNMVHH-XIRDDKMYSA-N 2 1 345.491 1.548 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033359468 707685640 /nfs/dbraw/zinc/68/56/40/707685640.db2.gz ZTPUPADWWNMVHH-XIRDDKMYSA-N 2 1 345.491 1.548 20 0 EDADMP COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001032725639 707712989 /nfs/dbraw/zinc/71/29/89/707712989.db2.gz XKSNBDZGJCDFIW-JLSDUUJJSA-N 2 1 335.492 1.428 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033396504 707735397 /nfs/dbraw/zinc/73/53/97/707735397.db2.gz ORDBWDDCYQIKTP-MRXNPFEDSA-N 2 1 334.464 1.666 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)ccn1 ZINC001033420129 707829743 /nfs/dbraw/zinc/82/97/43/707829743.db2.gz MHAWZZRFGOVCIR-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)ccn1 ZINC001033420129 707829747 /nfs/dbraw/zinc/82/97/47/707829747.db2.gz MHAWZZRFGOVCIR-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)ccn1 ZINC001033420129 707829750 /nfs/dbraw/zinc/82/97/50/707829750.db2.gz MHAWZZRFGOVCIR-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)ccn1 ZINC001033420129 707829754 /nfs/dbraw/zinc/82/97/54/707829754.db2.gz MHAWZZRFGOVCIR-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001033421436 707833872 /nfs/dbraw/zinc/83/38/72/707833872.db2.gz XDZCLTYZWDPYIW-DZGCQCFKSA-N 2 1 329.435 1.906 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001033421436 707833874 /nfs/dbraw/zinc/83/38/74/707833874.db2.gz XDZCLTYZWDPYIW-DZGCQCFKSA-N 2 1 329.435 1.906 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001033421436 707833877 /nfs/dbraw/zinc/83/38/77/707833877.db2.gz XDZCLTYZWDPYIW-DZGCQCFKSA-N 2 1 329.435 1.906 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001004992310 707873212 /nfs/dbraw/zinc/87/32/12/707873212.db2.gz NXVKGAHCVKCVMA-YOEHRIQHSA-N 2 1 344.463 1.484 20 0 EDADMP CCn1ccnc1CN[C@H](C)[C@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001005010412 707928436 /nfs/dbraw/zinc/92/84/36/707928436.db2.gz PYXWOIJPEDDKBL-HZPDHXFCSA-N 2 1 344.463 1.659 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033471506 707934192 /nfs/dbraw/zinc/93/41/92/707934192.db2.gz KCKFKMRMROCSHZ-GOSISDBHSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033474814 707964236 /nfs/dbraw/zinc/96/42/36/707964236.db2.gz KUHCEIICZLIJLD-GOSISDBHSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1 ZINC001032784523 707985391 /nfs/dbraw/zinc/98/53/91/707985391.db2.gz ABXOOZJQXSYLLQ-WDSOQIARSA-N 2 1 349.519 1.820 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1 ZINC001032784523 707985392 /nfs/dbraw/zinc/98/53/92/707985392.db2.gz ABXOOZJQXSYLLQ-WDSOQIARSA-N 2 1 349.519 1.820 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001000917839 708076753 /nfs/dbraw/zinc/07/67/53/708076753.db2.gz NABKQUNFKABMHT-IRXDYDNUSA-N 2 1 331.460 1.728 20 0 EDADMP Cc1cccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC001005208198 708229558 /nfs/dbraw/zinc/22/95/58/708229558.db2.gz CSSKYACINIDBRD-IBGZPJMESA-N 2 1 345.487 1.748 20 0 EDADMP Cc1cccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC001005208198 708229562 /nfs/dbraw/zinc/22/95/62/708229562.db2.gz CSSKYACINIDBRD-IBGZPJMESA-N 2 1 345.487 1.748 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001033594508 708296804 /nfs/dbraw/zinc/29/68/04/708296804.db2.gz QTJVWOKVQOFSFZ-KRWDZBQOSA-N 2 1 345.491 1.128 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001033594885 708297461 /nfs/dbraw/zinc/29/74/61/708297461.db2.gz SBENGCRZSOCYDU-SJORKVTESA-N 2 1 335.492 1.574 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033595462 708299360 /nfs/dbraw/zinc/29/93/60/708299360.db2.gz UGOHJDGOYCQPJS-QGZVFWFLSA-N 2 1 335.492 1.432 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2nccs2)CC1 ZINC001001831837 708335896 /nfs/dbraw/zinc/33/58/96/708335896.db2.gz ASWQFNJGWRHHEP-HIFRSBDPSA-N 2 1 336.505 1.669 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2nccs2)CC1 ZINC001001831837 708335901 /nfs/dbraw/zinc/33/59/01/708335901.db2.gz ASWQFNJGWRHHEP-HIFRSBDPSA-N 2 1 336.505 1.669 20 0 EDADMP COCC[NH+]1CCC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001834700 708361589 /nfs/dbraw/zinc/36/15/89/708361589.db2.gz SVPLKGZVBOFQEY-MRXNPFEDSA-N 2 1 334.464 1.229 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](CCCO)CC1 ZINC001001911137 708416351 /nfs/dbraw/zinc/41/63/51/708416351.db2.gz KKDKBZYKNAQNFF-KRWDZBQOSA-N 2 1 325.497 1.460 20 0 EDADMP COc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033666529 708451427 /nfs/dbraw/zinc/45/14/27/708451427.db2.gz XELFVOPYVAQQEA-HZPDHXFCSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033666529 708451428 /nfs/dbraw/zinc/45/14/28/708451428.db2.gz XELFVOPYVAQQEA-HZPDHXFCSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033666529 708451430 /nfs/dbraw/zinc/45/14/30/708451430.db2.gz XELFVOPYVAQQEA-HZPDHXFCSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033666529 708451432 /nfs/dbraw/zinc/45/14/32/708451432.db2.gz XELFVOPYVAQQEA-HZPDHXFCSA-N 2 1 332.448 1.075 20 0 EDADMP COCc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)c1 ZINC001033659187 708470237 /nfs/dbraw/zinc/47/02/37/708470237.db2.gz VWXPPUJXTNVEHY-IBGZPJMESA-N 2 1 345.487 1.962 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCOc2ccccc2F)C1 ZINC001033659172 708470350 /nfs/dbraw/zinc/47/03/50/708470350.db2.gz BTVRPNAEZLZDSN-HOTGVXAUSA-N 2 1 349.450 1.689 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC001033659172 708470355 /nfs/dbraw/zinc/47/03/55/708470355.db2.gz BTVRPNAEZLZDSN-HOTGVXAUSA-N 2 1 349.450 1.689 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC001033659172 708470356 /nfs/dbraw/zinc/47/03/56/708470356.db2.gz BTVRPNAEZLZDSN-HOTGVXAUSA-N 2 1 349.450 1.689 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033686184 708500272 /nfs/dbraw/zinc/50/02/72/708500272.db2.gz OCFRKEKHHCZTKZ-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033686184 708500274 /nfs/dbraw/zinc/50/02/74/708500274.db2.gz OCFRKEKHHCZTKZ-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033686184 708500275 /nfs/dbraw/zinc/50/02/75/708500275.db2.gz OCFRKEKHHCZTKZ-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033686184 708500277 /nfs/dbraw/zinc/50/02/77/708500277.db2.gz OCFRKEKHHCZTKZ-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001033687199 708502704 /nfs/dbraw/zinc/50/27/04/708502704.db2.gz ZQUXEBBXYULRBF-JKSUJKDBSA-N 2 1 334.464 1.890 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001033687199 708502707 /nfs/dbraw/zinc/50/27/07/708502707.db2.gz ZQUXEBBXYULRBF-JKSUJKDBSA-N 2 1 334.464 1.890 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001033687199 708502710 /nfs/dbraw/zinc/50/27/10/708502710.db2.gz ZQUXEBBXYULRBF-JKSUJKDBSA-N 2 1 334.464 1.890 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001033687199 708502714 /nfs/dbraw/zinc/50/27/14/708502714.db2.gz ZQUXEBBXYULRBF-JKSUJKDBSA-N 2 1 334.464 1.890 20 0 EDADMP Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c(C)n1 ZINC001002121599 708635479 /nfs/dbraw/zinc/63/54/79/708635479.db2.gz RXVHUESMKVHMCN-LJQANCHMSA-N 2 1 344.503 1.978 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033777389 708705243 /nfs/dbraw/zinc/70/52/43/708705243.db2.gz VIUKANMIXMTHLG-MOPGFXCFSA-N 2 1 345.487 1.696 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033777389 708705244 /nfs/dbraw/zinc/70/52/44/708705244.db2.gz VIUKANMIXMTHLG-MOPGFXCFSA-N 2 1 345.487 1.696 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033777389 708705246 /nfs/dbraw/zinc/70/52/46/708705246.db2.gz VIUKANMIXMTHLG-MOPGFXCFSA-N 2 1 345.487 1.696 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033829909 708850237 /nfs/dbraw/zinc/85/02/37/708850237.db2.gz CMTYGGPAAGLIJP-SJLPKXTDSA-N 2 1 345.491 1.185 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033829909 708850240 /nfs/dbraw/zinc/85/02/40/708850240.db2.gz CMTYGGPAAGLIJP-SJLPKXTDSA-N 2 1 345.491 1.185 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001033831819 708854632 /nfs/dbraw/zinc/85/46/32/708854632.db2.gz YZRWYUNUPWNPEI-DLBZAZTESA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001033831819 708854635 /nfs/dbraw/zinc/85/46/35/708854635.db2.gz YZRWYUNUPWNPEI-DLBZAZTESA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033837030 708864772 /nfs/dbraw/zinc/86/47/72/708864772.db2.gz FIQNPNCHVQCOAL-WMLDXEAASA-N 2 1 349.479 1.095 20 0 EDADMP CCN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033837030 708864775 /nfs/dbraw/zinc/86/47/75/708864775.db2.gz FIQNPNCHVQCOAL-WMLDXEAASA-N 2 1 349.479 1.095 20 0 EDADMP CCN(C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)[C@H]1CC[NH+](CCCO)C1 ZINC001033837030 708864777 /nfs/dbraw/zinc/86/47/77/708864777.db2.gz FIQNPNCHVQCOAL-WMLDXEAASA-N 2 1 349.479 1.095 20 0 EDADMP CCN(C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)[C@H]1CC[NH+](CCCO)C1 ZINC001033837030 708864780 /nfs/dbraw/zinc/86/47/80/708864780.db2.gz FIQNPNCHVQCOAL-WMLDXEAASA-N 2 1 349.479 1.095 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001005408261 708915674 /nfs/dbraw/zinc/91/56/74/708915674.db2.gz VZXKWMCNAQBAPR-CRAIPNDOSA-N 2 1 347.507 1.226 20 0 EDADMP CCc1noc(C)c1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002445742 708967581 /nfs/dbraw/zinc/96/75/81/708967581.db2.gz XKMLLEYSEFISIR-QGZVFWFLSA-N 2 1 334.464 1.720 20 0 EDADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033897618 709017276 /nfs/dbraw/zinc/01/72/76/709017276.db2.gz MNWQFBCRNPNUNJ-HZPDHXFCSA-N 2 1 343.431 1.135 20 0 EDADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033897618 709017280 /nfs/dbraw/zinc/01/72/80/709017280.db2.gz MNWQFBCRNPNUNJ-HZPDHXFCSA-N 2 1 343.431 1.135 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[NH+](CCOC)C2)C1 ZINC001033932629 709090853 /nfs/dbraw/zinc/09/08/53/709090853.db2.gz QKRVTQPKSAYJEF-IRXDYDNUSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[N@H+](CCOC)C2)C1 ZINC001033932629 709090857 /nfs/dbraw/zinc/09/08/57/709090857.db2.gz QKRVTQPKSAYJEF-IRXDYDNUSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC001033932629 709090861 /nfs/dbraw/zinc/09/08/61/709090861.db2.gz QKRVTQPKSAYJEF-IRXDYDNUSA-N 2 1 325.497 1.678 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001034014742 709230101 /nfs/dbraw/zinc/23/01/01/709230101.db2.gz CROSYCVQEOUXNH-QZTJIDSGSA-N 2 1 349.519 1.822 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001034015466 709232343 /nfs/dbraw/zinc/23/23/43/709232343.db2.gz HLNWEQRKRPCYKW-DLBZAZTESA-N 2 1 335.492 1.432 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001034039560 709272301 /nfs/dbraw/zinc/27/23/01/709272301.db2.gz KEUQHAICYIXCHA-SJORKVTESA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001034039560 709272303 /nfs/dbraw/zinc/27/23/03/709272303.db2.gz KEUQHAICYIXCHA-SJORKVTESA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001034039560 709272305 /nfs/dbraw/zinc/27/23/05/709272305.db2.gz KEUQHAICYIXCHA-SJORKVTESA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001034039560 709272307 /nfs/dbraw/zinc/27/23/07/709272307.db2.gz KEUQHAICYIXCHA-SJORKVTESA-N 2 1 331.464 1.160 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034042304 709292466 /nfs/dbraw/zinc/29/24/66/709292466.db2.gz MXXUTWMZUOAMPZ-GOEBONIOSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034042304 709292467 /nfs/dbraw/zinc/29/24/67/709292467.db2.gz MXXUTWMZUOAMPZ-GOEBONIOSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034042304 709292468 /nfs/dbraw/zinc/29/24/68/709292468.db2.gz MXXUTWMZUOAMPZ-GOEBONIOSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034042304 709292469 /nfs/dbraw/zinc/29/24/69/709292469.db2.gz MXXUTWMZUOAMPZ-GOEBONIOSA-N 2 1 334.464 1.612 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001002790952 709398516 /nfs/dbraw/zinc/39/85/16/709398516.db2.gz CSWVKEANZLDPML-WMZOPIPTSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)on1 ZINC001002791989 709400027 /nfs/dbraw/zinc/40/00/27/709400027.db2.gz LKYLCDBOACDFKJ-QGZVFWFLSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)on1 ZINC001002791989 709400028 /nfs/dbraw/zinc/40/00/28/709400028.db2.gz LKYLCDBOACDFKJ-QGZVFWFLSA-N 2 1 334.464 1.936 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001002792440 709400238 /nfs/dbraw/zinc/40/02/38/709400238.db2.gz NYUCALKOUPZVGQ-KRWDZBQOSA-N 2 1 333.480 1.374 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001002792440 709400240 /nfs/dbraw/zinc/40/02/40/709400240.db2.gz NYUCALKOUPZVGQ-KRWDZBQOSA-N 2 1 333.480 1.374 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034240129 709623405 /nfs/dbraw/zinc/62/34/05/709623405.db2.gz PIOVHVBOVNRTSZ-WMZOPIPTSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034240129 709623408 /nfs/dbraw/zinc/62/34/08/709623408.db2.gz PIOVHVBOVNRTSZ-WMZOPIPTSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccnn2C)C1 ZINC001034240129 709623410 /nfs/dbraw/zinc/62/34/10/709623410.db2.gz PIOVHVBOVNRTSZ-WMZOPIPTSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccnn2C)C1 ZINC001034240129 709623413 /nfs/dbraw/zinc/62/34/13/709623413.db2.gz PIOVHVBOVNRTSZ-WMZOPIPTSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001002953781 709653660 /nfs/dbraw/zinc/65/36/60/709653660.db2.gz CKTOFBWDHGRFPJ-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034396906 709936465 /nfs/dbraw/zinc/93/64/65/709936465.db2.gz IVAVLXCWKGBVHT-RDJZCZTQSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034396906 709936466 /nfs/dbraw/zinc/93/64/66/709936466.db2.gz IVAVLXCWKGBVHT-RDJZCZTQSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](Cc2cnn(C)c2)C1 ZINC001034396906 709936468 /nfs/dbraw/zinc/93/64/68/709936468.db2.gz IVAVLXCWKGBVHT-RDJZCZTQSA-N 2 1 333.480 1.375 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001034396906 709936470 /nfs/dbraw/zinc/93/64/70/709936470.db2.gz IVAVLXCWKGBVHT-RDJZCZTQSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034400223 709943186 /nfs/dbraw/zinc/94/31/86/709943186.db2.gz XBRFZYJJSYUBFF-GOEBONIOSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034400223 709943189 /nfs/dbraw/zinc/94/31/89/709943189.db2.gz XBRFZYJJSYUBFF-GOEBONIOSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1ncoc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034400223 709943192 /nfs/dbraw/zinc/94/31/92/709943192.db2.gz XBRFZYJJSYUBFF-GOEBONIOSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034400223 709943196 /nfs/dbraw/zinc/94/31/96/709943196.db2.gz XBRFZYJJSYUBFF-GOEBONIOSA-N 2 1 334.464 1.938 20 0 EDADMP Cn1cc(CC[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001003161140 710070633 /nfs/dbraw/zinc/07/06/33/710070633.db2.gz VKYOLJXZXDWYPD-KRWDZBQOSA-N 2 1 333.480 1.028 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034487209 710134416 /nfs/dbraw/zinc/13/44/16/710134416.db2.gz MWBJSRKAIISKLM-MRXNPFEDSA-N 2 1 346.475 1.858 20 0 EDADMP C[C@@H](F)CC[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001003220486 710138598 /nfs/dbraw/zinc/13/85/98/710138598.db2.gz FPPKYZBNRDZNGD-GFCCVEGCSA-N 2 1 326.416 1.679 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cc(C4CC4)no3)C2)C1 ZINC001034525826 710177149 /nfs/dbraw/zinc/17/71/49/710177149.db2.gz QEOYKPWRXJVDMQ-JKSUJKDBSA-N 2 1 346.475 1.974 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cc(C4CC4)no3)C2)C1 ZINC001034525826 710177153 /nfs/dbraw/zinc/17/71/53/710177153.db2.gz QEOYKPWRXJVDMQ-JKSUJKDBSA-N 2 1 346.475 1.974 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cc(C4CC4)no3)C2)C1 ZINC001034525826 710177156 /nfs/dbraw/zinc/17/71/56/710177156.db2.gz QEOYKPWRXJVDMQ-JKSUJKDBSA-N 2 1 346.475 1.974 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cc(C4CC4)no3)C2)C1 ZINC001034525826 710177159 /nfs/dbraw/zinc/17/71/59/710177159.db2.gz QEOYKPWRXJVDMQ-JKSUJKDBSA-N 2 1 346.475 1.974 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001034528034 710181601 /nfs/dbraw/zinc/18/16/01/710181601.db2.gz IQDYFJMHASMYJJ-LSDHHAIUSA-N 2 1 345.434 1.477 20 0 EDADMP CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034536888 710208918 /nfs/dbraw/zinc/20/89/18/710208918.db2.gz HNRXMUYTPYPRSI-KRWDZBQOSA-N 2 1 346.475 1.079 20 0 EDADMP CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034536888 710208919 /nfs/dbraw/zinc/20/89/19/710208919.db2.gz HNRXMUYTPYPRSI-KRWDZBQOSA-N 2 1 346.475 1.079 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001003320050 710248782 /nfs/dbraw/zinc/24/87/82/710248782.db2.gz ZTCILJRBGVRLOS-INIZCTEOSA-N 2 1 334.464 1.589 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001034611139 710285322 /nfs/dbraw/zinc/28/53/22/710285322.db2.gz IEQTWXQJKUVYPP-DZKIICNBSA-N 2 1 334.464 1.848 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccsc3)CC2)C1 ZINC001034617661 710292647 /nfs/dbraw/zinc/29/26/47/710292647.db2.gz TWOOTOWHBGLVKA-JYJNAYRXSA-N 2 1 337.489 1.596 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccsc3)CC2)C1 ZINC001034617661 710292649 /nfs/dbraw/zinc/29/26/49/710292649.db2.gz TWOOTOWHBGLVKA-JYJNAYRXSA-N 2 1 337.489 1.596 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001034647582 710324288 /nfs/dbraw/zinc/32/42/88/710324288.db2.gz MNDUXGQTVBAHHG-YFHUEUNASA-N 2 1 347.507 1.760 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC001034648497 710325403 /nfs/dbraw/zinc/32/54/03/710325403.db2.gz KBZNAQYBSUUVEW-BZUAXINKSA-N 2 1 347.463 1.237 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ncccn3)CC2)CC[N@H+]1C ZINC001034649699 710326104 /nfs/dbraw/zinc/32/61/04/710326104.db2.gz PYAGZDAECUTGEA-LUKYLMHMSA-N 2 1 345.491 1.724 20 0 EDADMP CO[C@H](C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1)C1CCC1 ZINC001003628478 710458119 /nfs/dbraw/zinc/45/81/19/710458119.db2.gz QKKGOXUDDDXPKB-CRAIPNDOSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001003630024 710459676 /nfs/dbraw/zinc/45/96/76/710459676.db2.gz HXYREEQDTJEPIN-NVXWUHKLSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](Cc3ccccn3)CC2)O1 ZINC001005574670 710605280 /nfs/dbraw/zinc/60/52/80/710605280.db2.gz LRXIGQGHTXXMLL-CRAIPNDOSA-N 2 1 346.475 1.224 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](Cc3ccccn3)CC2)O1 ZINC001005574670 710605283 /nfs/dbraw/zinc/60/52/83/710605283.db2.gz LRXIGQGHTXXMLL-CRAIPNDOSA-N 2 1 346.475 1.224 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001034673227 710609987 /nfs/dbraw/zinc/60/99/87/710609987.db2.gz WZOXJNICRJIOKG-RBSFLKMASA-N 2 1 349.479 1.633 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC001034673227 710609991 /nfs/dbraw/zinc/60/99/91/710609991.db2.gz WZOXJNICRJIOKG-RBSFLKMASA-N 2 1 349.479 1.633 20 0 EDADMP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001005590720 710645742 /nfs/dbraw/zinc/64/57/42/710645742.db2.gz DFHRDKJTLLOWTF-SFHVURJKSA-N 2 1 345.491 1.692 20 0 EDADMP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001005590720 710645745 /nfs/dbraw/zinc/64/57/45/710645745.db2.gz DFHRDKJTLLOWTF-SFHVURJKSA-N 2 1 345.491 1.692 20 0 EDADMP Cc1cc(N2CC[C@@H](CNC(=O)C34CCC[NH+]3CCC4)C2)nc(C)[nH+]1 ZINC001061783193 710761920 /nfs/dbraw/zinc/76/19/20/710761920.db2.gz WQAQIZVLKIUQHG-INIZCTEOSA-N 2 1 343.475 1.664 20 0 EDADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001034693763 710785572 /nfs/dbraw/zinc/78/55/72/710785572.db2.gz GQTZBZRFLKWNNH-RVKOJVRFSA-N 2 1 335.492 1.523 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001034734826 710913471 /nfs/dbraw/zinc/91/34/71/710913471.db2.gz ADRGUDMXRSTTMA-KBRIMQKVSA-N 2 1 334.464 1.984 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001034734022 710915439 /nfs/dbraw/zinc/91/54/39/710915439.db2.gz HIKUFXWKEUEQCB-BPLDGKMQSA-N 2 1 335.452 1.237 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001034734022 710915443 /nfs/dbraw/zinc/91/54/43/710915443.db2.gz HIKUFXWKEUEQCB-BPLDGKMQSA-N 2 1 335.452 1.237 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034736690 710923980 /nfs/dbraw/zinc/92/39/80/710923980.db2.gz AGKRBOFRICYPOH-DZUCGIPZSA-N 2 1 348.491 1.952 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC001034736954 710948153 /nfs/dbraw/zinc/94/81/53/710948153.db2.gz FJDFMWYKTYQACK-MXAVVETBSA-N 2 1 335.452 1.093 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC001034736954 710948155 /nfs/dbraw/zinc/94/81/55/710948155.db2.gz FJDFMWYKTYQACK-MXAVVETBSA-N 2 1 335.452 1.093 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001034738613 710954141 /nfs/dbraw/zinc/95/41/41/710954141.db2.gz UOTYPRKQNHBPGZ-QBYUYEEZSA-N 2 1 348.495 1.013 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001032960301 710968160 /nfs/dbraw/zinc/96/81/60/710968160.db2.gz QSUFCKOWNDKPRL-CABCVRRESA-N 2 1 339.871 1.163 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001032960301 710968163 /nfs/dbraw/zinc/96/81/63/710968163.db2.gz QSUFCKOWNDKPRL-CABCVRRESA-N 2 1 339.871 1.163 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCn2cc(Cl)cn2)C1 ZINC001032960301 710968168 /nfs/dbraw/zinc/96/81/68/710968168.db2.gz QSUFCKOWNDKPRL-CABCVRRESA-N 2 1 339.871 1.163 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCn2cc(Cl)cn2)C1 ZINC001032960301 710968171 /nfs/dbraw/zinc/96/81/71/710968171.db2.gz QSUFCKOWNDKPRL-CABCVRRESA-N 2 1 339.871 1.163 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCOC3)CC2)C1 ZINC001034775837 711050410 /nfs/dbraw/zinc/05/04/10/711050410.db2.gz KEAURGCMPQZBGY-MHORFTMASA-N 2 1 337.508 1.772 20 0 EDADMP Cc1ccc(CC[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032975301 711064369 /nfs/dbraw/zinc/06/43/69/711064369.db2.gz HEGQVCDGMVZBBW-RBUKOAKNSA-N 2 1 345.487 1.401 20 0 EDADMP Cc1ccc(CC[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032975301 711064371 /nfs/dbraw/zinc/06/43/71/711064371.db2.gz HEGQVCDGMVZBBW-RBUKOAKNSA-N 2 1 345.487 1.401 20 0 EDADMP Cc1ccc(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001032975301 711064375 /nfs/dbraw/zinc/06/43/75/711064375.db2.gz HEGQVCDGMVZBBW-RBUKOAKNSA-N 2 1 345.487 1.401 20 0 EDADMP Cc1ccc(CC[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001032975301 711064378 /nfs/dbraw/zinc/06/43/78/711064378.db2.gz HEGQVCDGMVZBBW-RBUKOAKNSA-N 2 1 345.487 1.401 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034779396 711086099 /nfs/dbraw/zinc/08/60/99/711086099.db2.gz SUMQJBIGJODRIV-JYJNAYRXSA-N 2 1 348.495 1.157 20 0 EDADMP CCn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001034793179 711121706 /nfs/dbraw/zinc/12/17/06/711121706.db2.gz RIHFCEFFLLBGTG-BZSNNMDCSA-N 2 1 347.507 1.414 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)CC2)s1 ZINC001034793503 711124052 /nfs/dbraw/zinc/12/40/52/711124052.db2.gz FWZSWIRTGHRJNN-HDJSIYSDSA-N 2 1 348.476 1.569 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](CC2CCOCC2)CC1 ZINC001005719147 711142143 /nfs/dbraw/zinc/14/21/43/711142143.db2.gz NRYYQMCOGQZSJC-UHFFFAOYSA-N 2 1 334.464 1.541 20 0 EDADMP Cc1oncc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001034811570 711175751 /nfs/dbraw/zinc/17/57/51/711175751.db2.gz VXNWHQIQTANBLP-SFHVURJKSA-N 2 1 342.443 1.983 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncnn1C(C)(C)C ZINC001034882948 711284387 /nfs/dbraw/zinc/28/43/87/711284387.db2.gz ITVCQIRFFJCRAA-HUUCEWRRSA-N 2 1 348.495 1.208 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncnn1C(C)(C)C ZINC001034882948 711284389 /nfs/dbraw/zinc/28/43/89/711284389.db2.gz ITVCQIRFFJCRAA-HUUCEWRRSA-N 2 1 348.495 1.208 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncccn1 ZINC001034935663 711363772 /nfs/dbraw/zinc/36/37/72/711363772.db2.gz BSPSGMFVHPYBLS-CVEARBPZSA-N 2 1 331.464 1.430 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncccn1 ZINC001034935663 711363774 /nfs/dbraw/zinc/36/37/74/711363774.db2.gz BSPSGMFVHPYBLS-CVEARBPZSA-N 2 1 331.464 1.430 20 0 EDADMP CCn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)n1 ZINC001034957557 711428943 /nfs/dbraw/zinc/42/89/43/711428943.db2.gz AKXSZVOVBNEVIN-QGZVFWFLSA-N 2 1 333.480 1.468 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccn(C)n1 ZINC001034958246 711431516 /nfs/dbraw/zinc/43/15/16/711431516.db2.gz FDBBRULLGYIQGO-QZTJIDSGSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cncn2C)C1 ZINC001034958857 711432712 /nfs/dbraw/zinc/43/27/12/711432712.db2.gz MPMASLGHLUCNRC-IAGOWNOFSA-N 2 1 347.507 1.479 20 0 EDADMP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCc3[nH+]ccn32)o1 ZINC001034958797 711432862 /nfs/dbraw/zinc/43/28/62/711432862.db2.gz MCSKVGKRXDQCPA-GDBMZVCRSA-N 2 1 343.431 1.838 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001034958858 711432947 /nfs/dbraw/zinc/43/29/47/711432947.db2.gz MQPDHHQWNOLUNI-IAGOWNOFSA-N 2 1 347.463 1.557 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001034958858 711432949 /nfs/dbraw/zinc/43/29/49/711432949.db2.gz MQPDHHQWNOLUNI-IAGOWNOFSA-N 2 1 347.463 1.557 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004141989 711541593 /nfs/dbraw/zinc/54/15/93/711541593.db2.gz FGTXEIXQTDFENN-AWEZNQCLSA-N 2 1 332.448 1.123 20 0 EDADMP COc1ncccc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004141989 711541595 /nfs/dbraw/zinc/54/15/95/711541595.db2.gz FGTXEIXQTDFENN-AWEZNQCLSA-N 2 1 332.448 1.123 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c(C)s1 ZINC001004145817 711556121 /nfs/dbraw/zinc/55/61/21/711556121.db2.gz VMJHENCOUHJZLB-CQSZACIVSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c(C)s1 ZINC001004145817 711556123 /nfs/dbraw/zinc/55/61/23/711556123.db2.gz VMJHENCOUHJZLB-CQSZACIVSA-N 2 1 336.505 1.792 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC001004149114 711562851 /nfs/dbraw/zinc/56/28/51/711562851.db2.gz FNHITHUMHKLNTP-KGLIPLIRSA-N 2 1 329.435 1.954 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001004159497 711584020 /nfs/dbraw/zinc/58/40/20/711584020.db2.gz FFOLENVGHFKKQQ-INIZCTEOSA-N 2 1 334.464 1.587 20 0 EDADMP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623897 711925331 /nfs/dbraw/zinc/92/53/31/711925331.db2.gz SPEFSIHQFRASPF-BBWFWOEESA-N 2 1 346.475 1.577 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623897 711925332 /nfs/dbraw/zinc/92/53/32/711925332.db2.gz SPEFSIHQFRASPF-BBWFWOEESA-N 2 1 346.475 1.577 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004594657 712034117 /nfs/dbraw/zinc/03/41/17/712034117.db2.gz BPYJYQKFXCHCET-KRWDZBQOSA-N 2 1 346.475 1.457 20 0 EDADMP CO[C@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608407 712061088 /nfs/dbraw/zinc/06/10/88/712061088.db2.gz ZJJCNXKSXLJXLD-AEFFLSMTSA-N 2 1 349.519 1.820 20 0 EDADMP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642319 712126198 /nfs/dbraw/zinc/12/61/98/712126198.db2.gz DWOWLVWYHIIMBT-ZJPYXAASSA-N 2 1 337.508 1.676 20 0 EDADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642319 712126200 /nfs/dbraw/zinc/12/62/00/712126200.db2.gz DWOWLVWYHIIMBT-ZJPYXAASSA-N 2 1 337.508 1.676 20 0 EDADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642319 712126202 /nfs/dbraw/zinc/12/62/02/712126202.db2.gz DWOWLVWYHIIMBT-ZJPYXAASSA-N 2 1 337.508 1.676 20 0 EDADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642319 712126204 /nfs/dbraw/zinc/12/62/04/712126204.db2.gz DWOWLVWYHIIMBT-ZJPYXAASSA-N 2 1 337.508 1.676 20 0 EDADMP [NH3+]C[C@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000050248401 214052137 /nfs/dbraw/zinc/05/21/37/214052137.db2.gz IDXJRFNFENRQCD-SNVBAGLBSA-N 2 1 337.221 1.238 20 0 EDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000050248401 214052139 /nfs/dbraw/zinc/05/21/39/214052139.db2.gz IDXJRFNFENRQCD-SNVBAGLBSA-N 2 1 337.221 1.238 20 0 EDADMP CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@H]1CCC[N@H+]1C ZINC000421012557 282170357 /nfs/dbraw/zinc/17/03/57/282170357.db2.gz UCYONSCULCYPEY-MSOLQXFVSA-N 2 1 332.492 1.432 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000347575743 536776692 /nfs/dbraw/zinc/77/66/92/536776692.db2.gz XXCNOHWGUZGWPG-UHFFFAOYSA-N 2 1 325.497 1.678 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000129764480 529773995 /nfs/dbraw/zinc/77/39/95/529773995.db2.gz GFMQSCXDUPFOCF-QGZVFWFLSA-N 2 1 330.476 1.163 20 0 EDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1nccn1C ZINC000354851338 282308166 /nfs/dbraw/zinc/30/81/66/282308166.db2.gz FTLMAPBDNSVVQX-CVEARBPZSA-N 2 1 346.454 1.583 20 0 EDADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154256739 539573263 /nfs/dbraw/zinc/57/32/63/539573263.db2.gz NHIAVOLPZPXXCS-SMDDNHRTSA-N 2 1 347.381 1.935 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000343015019 539776262 /nfs/dbraw/zinc/77/62/62/539776262.db2.gz PHGYXVKYTHGLFQ-HRCADAONSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C)c1ccsc1 ZINC000343738146 539796514 /nfs/dbraw/zinc/79/65/14/539796514.db2.gz OXEKMQOIBUYWRQ-HRCADAONSA-N 2 1 339.505 1.966 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C)c1ccsc1 ZINC000343738146 539796518 /nfs/dbraw/zinc/79/65/18/539796518.db2.gz OXEKMQOIBUYWRQ-HRCADAONSA-N 2 1 339.505 1.966 20 0 EDADMP C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152565115 539820972 /nfs/dbraw/zinc/82/09/72/539820972.db2.gz UCUHHQLAKZZKIE-HOCLYGCPSA-N 2 1 326.485 1.317 20 0 EDADMP C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152565115 539820976 /nfs/dbraw/zinc/82/09/76/539820976.db2.gz UCUHHQLAKZZKIE-HOCLYGCPSA-N 2 1 326.485 1.317 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000152695462 539826495 /nfs/dbraw/zinc/82/64/95/539826495.db2.gz MIEGGHQORBABBP-GDBMZVCRSA-N 2 1 326.485 1.269 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000152695462 539826500 /nfs/dbraw/zinc/82/65/00/539826500.db2.gz MIEGGHQORBABBP-GDBMZVCRSA-N 2 1 326.485 1.269 20 0 EDADMP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000354326285 539942018 /nfs/dbraw/zinc/94/20/18/539942018.db2.gz CNUDDCPTHDUNEU-WBVHZDCISA-N 2 1 325.497 1.724 20 0 EDADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000354326283 539942079 /nfs/dbraw/zinc/94/20/79/539942079.db2.gz CNUDDCPTHDUNEU-RDJZCZTQSA-N 2 1 325.497 1.724 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353521347 539934560 /nfs/dbraw/zinc/93/45/60/539934560.db2.gz RFOVPBMDFIQMDK-RCCFBDPRSA-N 2 1 336.524 1.392 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000562794264 306309310 /nfs/dbraw/zinc/30/93/10/306309310.db2.gz DQVRXTHGCPDOJU-SJLPKXTDSA-N 2 1 330.476 1.950 20 0 EDADMP CC(C)[NH2+]CCC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000563198115 306322786 /nfs/dbraw/zinc/32/27/86/306322786.db2.gz FUHJQAIWVHQGQX-MRXNPFEDSA-N 2 1 346.475 1.711 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000495155151 540052959 /nfs/dbraw/zinc/05/29/59/540052959.db2.gz YTKZUNZMMAYXMO-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP CS(=O)(=O)CCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000164030439 540059374 /nfs/dbraw/zinc/05/93/74/540059374.db2.gz TYIJFEVQAFQIPG-UHFFFAOYSA-N 2 1 332.510 1.388 20 0 EDADMP CCOC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000184574412 540144031 /nfs/dbraw/zinc/14/40/31/540144031.db2.gz LTTXIBQEMAPHPF-SFHVURJKSA-N 2 1 333.476 1.906 20 0 EDADMP C[C@H](CNC(=O)NCC[N@H+]1CCCOCC1)[NH+]1CCC(C)CC1 ZINC000187047032 540153644 /nfs/dbraw/zinc/15/36/44/540153644.db2.gz OJRXRLXUUIDGNA-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)[C@]1(CO)CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000339701751 535308978 /nfs/dbraw/zinc/30/89/78/535308978.db2.gz NNTZADNGPFYVKZ-LJQANCHMSA-N 2 1 337.508 1.460 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000089134893 138273165 /nfs/dbraw/zinc/27/31/65/138273165.db2.gz OPMBDCNAKYKQMI-MAUKXSAKSA-N 2 1 325.497 1.722 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)C1 ZINC000090603123 138280038 /nfs/dbraw/zinc/28/00/38/138280038.db2.gz VCBDDFKVKXONAW-YLFCFFPRSA-N 2 1 338.496 1.412 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)C1 ZINC000090603123 138280039 /nfs/dbraw/zinc/28/00/39/138280039.db2.gz VCBDDFKVKXONAW-YLFCFFPRSA-N 2 1 338.496 1.412 20 0 EDADMP COc1ccc(CCN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000104068175 138299435 /nfs/dbraw/zinc/29/94/35/138299435.db2.gz AVGFMSFOCCLMMP-GOSISDBHSA-N 2 1 331.460 1.652 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000106546289 138303117 /nfs/dbraw/zinc/30/31/17/138303117.db2.gz BDKVDJOSJQKSFK-MRXNPFEDSA-N 2 1 338.496 1.413 20 0 EDADMP [NH3+]C1(C(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)Cc2ccccc2C1 ZINC000372101499 283398158 /nfs/dbraw/zinc/39/81/58/283398158.db2.gz JQHFSLWEESVUJT-MRXNPFEDSA-N 2 1 331.485 1.132 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000130505580 223158504 /nfs/dbraw/zinc/15/85/04/223158504.db2.gz CIFGRTNYDCUGII-JTQLQIEISA-N 2 1 349.357 1.290 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000130505580 223158506 /nfs/dbraw/zinc/15/85/06/223158506.db2.gz CIFGRTNYDCUGII-JTQLQIEISA-N 2 1 349.357 1.290 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000414694842 304128484 /nfs/dbraw/zinc/12/84/84/304128484.db2.gz GFEODWVBHCKWRQ-SJORKVTESA-N 2 1 342.443 1.014 20 0 EDADMP COc1ccccc1[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414699973 304129425 /nfs/dbraw/zinc/12/94/25/304129425.db2.gz JZGOCYMABWPTBP-JKSUJKDBSA-N 2 1 331.460 1.682 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000414710345 304131202 /nfs/dbraw/zinc/13/12/02/304131202.db2.gz SICHCEKSUTUHSU-HUUCEWRRSA-N 2 1 346.475 1.581 20 0 EDADMP C[N@@H+](CCCOCc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414741359 304135627 /nfs/dbraw/zinc/13/56/27/304135627.db2.gz KSAUSJTUBVRSDF-GOSISDBHSA-N 2 1 333.476 1.722 20 0 EDADMP CCOc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000414807995 304143396 /nfs/dbraw/zinc/14/33/96/304143396.db2.gz RUMPMCDLQMJBBJ-CYBMUJFWSA-N 2 1 337.464 1.768 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414823405 304144803 /nfs/dbraw/zinc/14/48/03/304144803.db2.gz DEFQHBCYPNQBFP-XYPWUTKMSA-N 2 1 334.464 1.824 20 0 EDADMP COc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000415020734 304151278 /nfs/dbraw/zinc/15/12/78/304151278.db2.gz UCFRVNWCQLJJHI-KBPBESRZSA-N 2 1 335.448 1.522 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000415067541 304156625 /nfs/dbraw/zinc/15/66/25/304156625.db2.gz USOHCUYQQVKJOY-CVEARBPZSA-N 2 1 347.463 1.241 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000415067541 304156627 /nfs/dbraw/zinc/15/66/27/304156627.db2.gz USOHCUYQQVKJOY-CVEARBPZSA-N 2 1 347.463 1.241 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000415145177 304164951 /nfs/dbraw/zinc/16/49/51/304164951.db2.gz VWZVVWHHOOPHTF-ZFWWWQNUSA-N 2 1 330.432 1.040 20 0 EDADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000195519165 139019380 /nfs/dbraw/zinc/01/93/80/139019380.db2.gz PMRXGXLISSWHQU-UHFFFAOYSA-N 2 1 330.432 1.718 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000236742613 139030134 /nfs/dbraw/zinc/03/01/34/139030134.db2.gz ZBVRCWJTRLJLDP-IBGZPJMESA-N 2 1 346.519 1.684 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236955153 139036460 /nfs/dbraw/zinc/03/64/60/139036460.db2.gz FJTRQFJWRCZVLD-QGZVFWFLSA-N 2 1 330.476 1.050 20 0 EDADMP CC[C@H](NC(=O)[C@@H](C)C[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237017390 139038242 /nfs/dbraw/zinc/03/82/42/139038242.db2.gz SMXLIMYCYAWUTN-SZMVWBNQSA-N 2 1 333.476 1.638 20 0 EDADMP CC[C@H](NC(=O)[C@@H](C)C[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237017390 139038243 /nfs/dbraw/zinc/03/82/43/139038243.db2.gz SMXLIMYCYAWUTN-SZMVWBNQSA-N 2 1 333.476 1.638 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CC3CC[NH2+]CC3)c2)CCO1 ZINC000237421530 139050744 /nfs/dbraw/zinc/05/07/44/139050744.db2.gz UIMLLBGVVAMQQN-MRXNPFEDSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CC3CC[NH2+]CC3)c2)CCO1 ZINC000237421530 139050745 /nfs/dbraw/zinc/05/07/45/139050745.db2.gz UIMLLBGVVAMQQN-MRXNPFEDSA-N 2 1 345.487 1.913 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000415193770 304173550 /nfs/dbraw/zinc/17/35/50/304173550.db2.gz MPVUHVUJWUQZSQ-QGZVFWFLSA-N 2 1 344.459 1.478 20 0 EDADMP C[C@H](CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000237523695 139053276 /nfs/dbraw/zinc/05/32/76/139053276.db2.gz QNMURPREIHTXBX-KURKYZTESA-N 2 1 337.508 1.726 20 0 EDADMP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000237890746 139063031 /nfs/dbraw/zinc/06/30/31/139063031.db2.gz YRBBFMZNPJWNDG-SFHVURJKSA-N 2 1 331.460 1.142 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000238003320 139066153 /nfs/dbraw/zinc/06/61/53/139066153.db2.gz GATCRBIZIZCDCF-MRXNPFEDSA-N 2 1 335.492 1.527 20 0 EDADMP [NH3+]Cc1nc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cs1 ZINC000238036059 139067263 /nfs/dbraw/zinc/06/72/63/139067263.db2.gz CDPIBWWKWIWCFS-AWEZNQCLSA-N 2 1 330.457 1.996 20 0 EDADMP [NH3+]Cc1nc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cs1 ZINC000238036059 139067264 /nfs/dbraw/zinc/06/72/64/139067264.db2.gz CDPIBWWKWIWCFS-AWEZNQCLSA-N 2 1 330.457 1.996 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000245496040 139077036 /nfs/dbraw/zinc/07/70/36/139077036.db2.gz QQXINELFXXISCR-KURKYZTESA-N 2 1 336.524 1.486 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000245496040 139077037 /nfs/dbraw/zinc/07/70/37/139077037.db2.gz QQXINELFXXISCR-KURKYZTESA-N 2 1 336.524 1.486 20 0 EDADMP C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000245949700 139091057 /nfs/dbraw/zinc/09/10/57/139091057.db2.gz OZBBZWBIDUWTOD-BMGDILEWSA-N 2 1 331.460 1.651 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000246030901 139092889 /nfs/dbraw/zinc/09/28/89/139092889.db2.gz AHTORSAZDUQLCY-GDBMZVCRSA-N 2 1 337.489 1.407 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000246030901 139092890 /nfs/dbraw/zinc/09/28/90/139092890.db2.gz AHTORSAZDUQLCY-GDBMZVCRSA-N 2 1 337.489 1.407 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000246030901 139092891 /nfs/dbraw/zinc/09/28/91/139092891.db2.gz AHTORSAZDUQLCY-GDBMZVCRSA-N 2 1 337.489 1.407 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000246030901 139092892 /nfs/dbraw/zinc/09/28/92/139092892.db2.gz AHTORSAZDUQLCY-GDBMZVCRSA-N 2 1 337.489 1.407 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000246370745 139105794 /nfs/dbraw/zinc/10/57/94/139105794.db2.gz AIXALRKUYSORCE-GUDVDZBRSA-N 2 1 345.487 1.876 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000246370745 139105795 /nfs/dbraw/zinc/10/57/95/139105795.db2.gz AIXALRKUYSORCE-GUDVDZBRSA-N 2 1 345.487 1.876 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000246702142 139117950 /nfs/dbraw/zinc/11/79/50/139117950.db2.gz CBDQDNQPHZRAQH-SJLPKXTDSA-N 2 1 336.476 1.846 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000246702142 139117951 /nfs/dbraw/zinc/11/79/51/139117951.db2.gz CBDQDNQPHZRAQH-SJLPKXTDSA-N 2 1 336.476 1.846 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000246702142 139117952 /nfs/dbraw/zinc/11/79/52/139117952.db2.gz CBDQDNQPHZRAQH-SJLPKXTDSA-N 2 1 336.476 1.846 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246888519 139125457 /nfs/dbraw/zinc/12/54/57/139125457.db2.gz BYFZPSOPZNBFSN-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246888519 139125458 /nfs/dbraw/zinc/12/54/58/139125458.db2.gz BYFZPSOPZNBFSN-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246888519 139125459 /nfs/dbraw/zinc/12/54/59/139125459.db2.gz BYFZPSOPZNBFSN-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246888519 139125460 /nfs/dbraw/zinc/12/54/60/139125460.db2.gz BYFZPSOPZNBFSN-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000247118085 139136397 /nfs/dbraw/zinc/13/63/97/139136397.db2.gz FMYIXEDNQCQMFJ-FUHWJXTLSA-N 2 1 334.460 1.903 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])cc2)C1 ZINC000415379309 304208962 /nfs/dbraw/zinc/20/89/62/304208962.db2.gz JDSQTSAIZBMFAV-AWEZNQCLSA-N 2 1 346.475 1.711 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000247452482 139148954 /nfs/dbraw/zinc/14/89/54/139148954.db2.gz ZXKVNIAEJAOSGL-BQFCYCMXSA-N 2 1 345.487 1.977 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)CC2)[nH+]c1 ZINC000248592016 139168325 /nfs/dbraw/zinc/16/83/25/139168325.db2.gz HIMDKLPCVUMHJV-YESZJQIVSA-N 2 1 328.460 1.802 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000248766215 139174813 /nfs/dbraw/zinc/17/48/13/139174813.db2.gz GXQYXCQTXMESIO-ZIFCJYIRSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000248766215 139174814 /nfs/dbraw/zinc/17/48/14/139174814.db2.gz GXQYXCQTXMESIO-ZIFCJYIRSA-N 2 1 344.503 1.259 20 0 EDADMP CC[C@H](NC(=O)CC[C@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000248827715 139176735 /nfs/dbraw/zinc/17/67/35/139176735.db2.gz AEQIJOYFLXNAKT-RYQLBKOJSA-N 2 1 333.476 1.910 20 0 EDADMP CC[C@H](NC(=O)CC[C@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000248827715 139176736 /nfs/dbraw/zinc/17/67/36/139176736.db2.gz AEQIJOYFLXNAKT-RYQLBKOJSA-N 2 1 333.476 1.910 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000410535278 250342690 /nfs/dbraw/zinc/34/26/90/250342690.db2.gz RBNSFJOSZFBHOF-HNNXBMFYSA-N 2 1 347.463 1.058 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000410535278 250342696 /nfs/dbraw/zinc/34/26/96/250342696.db2.gz RBNSFJOSZFBHOF-HNNXBMFYSA-N 2 1 347.463 1.058 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000410535278 250342699 /nfs/dbraw/zinc/34/26/99/250342699.db2.gz RBNSFJOSZFBHOF-HNNXBMFYSA-N 2 1 347.463 1.058 20 0 EDADMP C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CCN1CCO ZINC000249526577 139195030 /nfs/dbraw/zinc/19/50/30/139195030.db2.gz YRHRYKFJHXNSML-FUHWJXTLSA-N 2 1 331.460 1.176 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000261620924 139211851 /nfs/dbraw/zinc/21/18/51/139211851.db2.gz AVOQKNBLLJYSJD-ZWKOTPCHSA-N 2 1 331.460 1.653 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261627875 139212375 /nfs/dbraw/zinc/21/23/75/139212375.db2.gz BMKPWMQVZNEPFF-OIISXLGYSA-N 2 1 344.459 1.450 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261627875 139212376 /nfs/dbraw/zinc/21/23/76/139212376.db2.gz BMKPWMQVZNEPFF-OIISXLGYSA-N 2 1 344.459 1.450 20 0 EDADMP CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261638075 139213246 /nfs/dbraw/zinc/21/32/46/139213246.db2.gz IAZNGFRLVJZRHA-GOSISDBHSA-N 2 1 330.476 1.728 20 0 EDADMP CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261638075 139213247 /nfs/dbraw/zinc/21/32/47/139213247.db2.gz IAZNGFRLVJZRHA-GOSISDBHSA-N 2 1 330.476 1.728 20 0 EDADMP CCn1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c2ccccc21 ZINC000261679517 139216802 /nfs/dbraw/zinc/21/68/02/139216802.db2.gz ADQCVRFVHZRVRK-OAHLLOKOSA-N 2 1 343.475 1.876 20 0 EDADMP CCn1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c2ccccc21 ZINC000261679517 139216803 /nfs/dbraw/zinc/21/68/03/139216803.db2.gz ADQCVRFVHZRVRK-OAHLLOKOSA-N 2 1 343.475 1.876 20 0 EDADMP [NH3+][C@@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CCOCC1 ZINC000261696693 139218507 /nfs/dbraw/zinc/21/85/07/139218507.db2.gz HWOGPPQNNLHCTR-GOSISDBHSA-N 2 1 347.459 1.254 20 0 EDADMP COCC[N@H+]1CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000261760560 139223769 /nfs/dbraw/zinc/22/37/69/139223769.db2.gz VSMWYPXCJPKFQR-KRWDZBQOSA-N 2 1 344.459 1.218 20 0 EDADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261788510 139226179 /nfs/dbraw/zinc/22/61/79/139226179.db2.gz YONQUYCFTKHICH-SJLPKXTDSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261831258 139229729 /nfs/dbraw/zinc/22/97/29/139229729.db2.gz YTOSWXAIJWCUQS-LJQANCHMSA-N 2 1 348.466 1.535 20 0 EDADMP COCC1(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC[NH2+]CC1 ZINC000261834694 139230104 /nfs/dbraw/zinc/23/01/04/139230104.db2.gz IFNNKWPKVOOCDE-UHFFFAOYSA-N 2 1 325.497 1.773 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCC(C)(C)[NH3+])cc2)C1 ZINC000415460297 304223576 /nfs/dbraw/zinc/22/35/76/304223576.db2.gz AAAGYWAVSSIBOU-CQSZACIVSA-N 2 1 346.475 1.711 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261855031 139231655 /nfs/dbraw/zinc/23/16/55/139231655.db2.gz RVWCESYNGJUFCK-HNAYVOBHSA-N 2 1 348.466 1.534 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261855031 139231656 /nfs/dbraw/zinc/23/16/56/139231656.db2.gz RVWCESYNGJUFCK-HNAYVOBHSA-N 2 1 348.466 1.534 20 0 EDADMP CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)no1 ZINC000261887246 139234048 /nfs/dbraw/zinc/23/40/48/139234048.db2.gz SGAQYMZYEMHGNY-RHSMWYFYSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)no1 ZINC000261887246 139234049 /nfs/dbraw/zinc/23/40/49/139234049.db2.gz SGAQYMZYEMHGNY-RHSMWYFYSA-N 2 1 335.452 1.054 20 0 EDADMP [NH3+]C1(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CCOCC1 ZINC000261905254 139235643 /nfs/dbraw/zinc/23/56/43/139235643.db2.gz SGGYEFDJLVYMBV-UHFFFAOYSA-N 2 1 333.432 1.008 20 0 EDADMP O=C(CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CC[NH2+]CC1 ZINC000262176034 139257438 /nfs/dbraw/zinc/25/74/38/139257438.db2.gz QQSIWVNIHYTPLM-INIZCTEOSA-N 2 1 345.443 1.417 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(OCC[NH3+])cc3)CC[C@@H]21 ZINC000415945794 251037113 /nfs/dbraw/zinc/03/71/13/251037113.db2.gz LOTZUXOIUXZXBD-YOEHRIQHSA-N 2 1 332.448 1.972 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000415968660 251040121 /nfs/dbraw/zinc/04/01/21/251040121.db2.gz XWXFCYCPZYWZRB-CQSZACIVSA-N 2 1 334.464 1.715 20 0 EDADMP CCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H]1COc2ccccc2O1 ZINC000262236685 139262539 /nfs/dbraw/zinc/26/25/39/139262539.db2.gz VVAYSHLPWYFVSS-MRXNPFEDSA-N 2 1 347.459 1.360 20 0 EDADMP [NH3+]CC1(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCOCC1 ZINC000262296822 139267664 /nfs/dbraw/zinc/26/76/64/139267664.db2.gz PEGGANAGJCKDTP-UHFFFAOYSA-N 2 1 349.450 1.616 20 0 EDADMP [NH3+]CC1(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCOCC1 ZINC000262296822 139267665 /nfs/dbraw/zinc/26/76/65/139267665.db2.gz PEGGANAGJCKDTP-UHFFFAOYSA-N 2 1 349.450 1.616 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417012435 251131377 /nfs/dbraw/zinc/13/13/77/251131377.db2.gz AMPDAVIMYACXCN-MJGOQNOKSA-N 2 1 342.487 1.686 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@H]1CCC[NH2+]C1 ZINC000417014497 251132050 /nfs/dbraw/zinc/13/20/50/251132050.db2.gz DLJPEJJDDBFMEJ-INIZCTEOSA-N 2 1 330.476 1.734 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417021861 251136352 /nfs/dbraw/zinc/13/63/52/251136352.db2.gz NTPKXIIHQMPFDJ-FUHWJXTLSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000417021861 251136354 /nfs/dbraw/zinc/13/63/54/251136354.db2.gz NTPKXIIHQMPFDJ-FUHWJXTLSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000417021861 251136358 /nfs/dbraw/zinc/13/63/58/251136358.db2.gz NTPKXIIHQMPFDJ-FUHWJXTLSA-N 2 1 347.507 1.402 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417173317 251145473 /nfs/dbraw/zinc/14/54/73/251145473.db2.gz IQJXJXHKFRMFSM-QGZVFWFLSA-N 2 1 334.464 1.301 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000262437519 139279031 /nfs/dbraw/zinc/27/90/31/139279031.db2.gz SJLCJMYNMRFNRD-LPHOPBHVSA-N 2 1 344.503 1.438 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NC[C@H]3CCC[NH2+]C3)CC2)[nH+]1 ZINC000417709647 251237521 /nfs/dbraw/zinc/23/75/21/251237521.db2.gz ZYMRAPKDWJWALJ-HNNXBMFYSA-N 2 1 331.464 1.658 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CCCC[C@@H]3C[NH3+])CC2)[nH+]1 ZINC000417704557 251235479 /nfs/dbraw/zinc/23/54/79/251235479.db2.gz SPASGTGNIYYKMK-MRXNPFEDSA-N 2 1 331.464 1.882 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CCC(C[NH3+])CC3)CC2)[nH+]1 ZINC000417705314 251235558 /nfs/dbraw/zinc/23/55/58/251235558.db2.gz UKJOFLOJLINVMQ-UHFFFAOYSA-N 2 1 331.464 1.739 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000417726926 251244500 /nfs/dbraw/zinc/24/45/00/251244500.db2.gz IJHKKUJJXUJYLD-NUJGCVRESA-N 2 1 345.491 1.328 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417730054 251246804 /nfs/dbraw/zinc/24/68/04/251246804.db2.gz LZJDACNJOZHIGC-FUHWJXTLSA-N 2 1 347.507 1.480 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@H](CC[NH3+])C(F)F)Cc1ccc(F)cc1 ZINC000417830137 251287972 /nfs/dbraw/zinc/28/79/72/251287972.db2.gz RNJFDBVZUDVSIM-CYBMUJFWSA-N 2 1 332.370 1.539 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N(C)CC(C)(C)C[NH3+])CC2)nc(C)[nH+]1 ZINC000417842351 251293503 /nfs/dbraw/zinc/29/35/03/251293503.db2.gz UOJHJPLMGFZVNS-UHFFFAOYSA-N 2 1 348.495 1.689 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000417792660 251272409 /nfs/dbraw/zinc/27/24/09/251272409.db2.gz JOALFKGRQFQYGQ-CYBMUJFWSA-N 2 1 325.416 1.775 20 0 EDADMP O=C(NCCC[NH2+]C1CC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418109260 251325411 /nfs/dbraw/zinc/32/54/11/251325411.db2.gz TWQNOHGEUKJAPO-KRWDZBQOSA-N 2 1 330.476 1.950 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@]2(C)CCC[NH2+]C2)CCCO1 ZINC000418122814 251334985 /nfs/dbraw/zinc/33/49/85/251334985.db2.gz YITFDDUZAPPRFK-DOTOQJQBSA-N 2 1 326.485 1.176 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000262495263 139282370 /nfs/dbraw/zinc/28/23/70/139282370.db2.gz ZZFZFWLHMUGORZ-ROUUACIJSA-N 2 1 344.503 1.655 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000418434589 251370964 /nfs/dbraw/zinc/37/09/64/251370964.db2.gz FHELPYMGGDNELY-IRXDYDNUSA-N 2 1 339.528 1.171 20 0 EDADMP CN(Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)(C)C[NH+]1CCCC1 ZINC000418150557 251346364 /nfs/dbraw/zinc/34/63/64/251346364.db2.gz WHBGSAYWXLKHJI-UHFFFAOYSA-N 2 1 346.523 1.535 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000418196510 251354195 /nfs/dbraw/zinc/35/41/95/251354195.db2.gz HSKPJOGRMHNGFG-CZUORRHYSA-N 2 1 331.464 1.787 20 0 EDADMP CC[NH2+]CCNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418318279 251359243 /nfs/dbraw/zinc/35/92/43/251359243.db2.gz OXNNOJFOUVNPGZ-MSOLQXFVSA-N 2 1 330.476 1.759 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418346192 251361583 /nfs/dbraw/zinc/36/15/83/251361583.db2.gz UIVDOHOAYNIKDZ-QGZVFWFLSA-N 2 1 333.480 1.545 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262655778 139293534 /nfs/dbraw/zinc/29/35/34/139293534.db2.gz UJUDSFBFKLGULG-PKOBYXMFSA-N 2 1 346.519 1.856 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262701071 139297406 /nfs/dbraw/zinc/29/74/06/139297406.db2.gz IEGHNSAZGSZISW-KXBFYZLASA-N 2 1 346.475 1.840 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000423863769 252095592 /nfs/dbraw/zinc/09/55/92/252095592.db2.gz WYEJUKOBSVEVNC-DAYGRLMNSA-N 2 1 347.459 1.418 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000423863769 252095595 /nfs/dbraw/zinc/09/55/95/252095595.db2.gz WYEJUKOBSVEVNC-DAYGRLMNSA-N 2 1 347.459 1.418 20 0 EDADMP O=C([C@H]1COCC[NH2+]1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423838477 252087055 /nfs/dbraw/zinc/08/70/55/252087055.db2.gz CHNLOTIDMWMCGL-GOSISDBHSA-N 2 1 343.471 1.490 20 0 EDADMP O=C([C@H]1COCC[NH2+]1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423838477 252087060 /nfs/dbraw/zinc/08/70/60/252087060.db2.gz CHNLOTIDMWMCGL-GOSISDBHSA-N 2 1 343.471 1.490 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424154839 252147146 /nfs/dbraw/zinc/14/71/46/252147146.db2.gz MFBVIVUWZJXTSF-GJZGRUSLSA-N 2 1 334.468 1.053 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000424218374 252165140 /nfs/dbraw/zinc/16/51/40/252165140.db2.gz STBBIUMULLNKNO-RYTJFDOTSA-N 2 1 337.508 1.709 20 0 EDADMP COC(=O)c1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)[nH]1 ZINC000424379759 252204248 /nfs/dbraw/zinc/20/42/48/252204248.db2.gz OZHSKRGESJZVCP-UHFFFAOYSA-N 2 1 329.404 1.438 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000424439698 252231065 /nfs/dbraw/zinc/23/10/65/252231065.db2.gz OSODKHXUXPTFPK-DZGCQCFKSA-N 2 1 346.475 1.629 20 0 EDADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC000426159570 252318759 /nfs/dbraw/zinc/31/87/59/252318759.db2.gz GBGNOSCILSRCOW-SFHVURJKSA-N 2 1 338.540 1.737 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CCO)CC1 ZINC000426196379 252322419 /nfs/dbraw/zinc/32/24/19/252322419.db2.gz ZSZUNOXIJIUIEK-IEBWSBKVSA-N 2 1 345.487 1.739 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2CCO)CC1 ZINC000426196379 252322424 /nfs/dbraw/zinc/32/24/24/252322424.db2.gz ZSZUNOXIJIUIEK-IEBWSBKVSA-N 2 1 345.487 1.739 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000362845389 285022120 /nfs/dbraw/zinc/02/21/20/285022120.db2.gz ZRZYIOYMMILBRL-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000362845389 285022121 /nfs/dbraw/zinc/02/21/21/285022121.db2.gz ZRZYIOYMMILBRL-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000362845389 285022122 /nfs/dbraw/zinc/02/21/22/285022122.db2.gz ZRZYIOYMMILBRL-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000345020870 285022709 /nfs/dbraw/zinc/02/27/09/285022709.db2.gz OICBGXQNDIPLRJ-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1OCc1cccnc1 ZINC000263308709 139334972 /nfs/dbraw/zinc/33/49/72/139334972.db2.gz YFSKFNSGDQIHAV-IAGOWNOFSA-N 2 1 343.427 1.339 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000112464674 220333558 /nfs/dbraw/zinc/33/35/58/220333558.db2.gz APGXSPHWVRFPRM-INIZCTEOSA-N 2 1 328.501 1.110 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCC[N@@H+](C)CC2)CC1 ZINC000263787845 139360367 /nfs/dbraw/zinc/36/03/67/139360367.db2.gz PTWRIEQPMDWDQB-UHFFFAOYSA-N 2 1 344.503 1.277 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCC[N@H+](C)CC2)CC1 ZINC000263787845 139360368 /nfs/dbraw/zinc/36/03/68/139360368.db2.gz PTWRIEQPMDWDQB-UHFFFAOYSA-N 2 1 344.503 1.277 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2[C@H](C)C[NH2+]C[C@@H]2C)CC1 ZINC000493547987 255214922 /nfs/dbraw/zinc/21/49/22/255214922.db2.gz ORGHUTRJHYIBIY-HDICACEKSA-N 2 1 344.503 1.321 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495458838 255286318 /nfs/dbraw/zinc/28/63/18/255286318.db2.gz NPQVJWLUOCRYEH-DLBZAZTESA-N 2 1 327.469 1.290 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495458838 255286319 /nfs/dbraw/zinc/28/63/19/255286319.db2.gz NPQVJWLUOCRYEH-DLBZAZTESA-N 2 1 327.469 1.290 20 0 EDADMP CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]C2CC[NH+](CCOC)CC2)C1 ZINC000495561840 255301458 /nfs/dbraw/zinc/30/14/58/255301458.db2.gz AQADALZDYUHZNP-JKSUJKDBSA-N 2 1 341.496 1.944 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496164424 255359870 /nfs/dbraw/zinc/35/98/70/255359870.db2.gz BPADJVTVHSDICV-YJBOKZPZSA-N 2 1 343.512 1.972 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496238670 255368748 /nfs/dbraw/zinc/36/87/48/255368748.db2.gz MGTKAYFXLPNIFX-ZDUSSCGKSA-N 2 1 327.473 1.357 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417750185 285321388 /nfs/dbraw/zinc/32/13/88/285321388.db2.gz KFDQCQMXJVGQBU-IXDOHACOSA-N 2 1 339.528 1.077 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C ZINC000361674577 285368262 /nfs/dbraw/zinc/36/82/62/285368262.db2.gz GHWWOXZFWUXVBF-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C ZINC000361674577 285368263 /nfs/dbraw/zinc/36/82/63/285368263.db2.gz GHWWOXZFWUXVBF-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000361674576 285387385 /nfs/dbraw/zinc/38/73/85/285387385.db2.gz GHWWOXZFWUXVBF-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000361674576 285387388 /nfs/dbraw/zinc/38/73/88/285387388.db2.gz GHWWOXZFWUXVBF-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000415928522 304285817 /nfs/dbraw/zinc/28/58/17/304285817.db2.gz FQTRMZDFYIOAJO-QGZVFWFLSA-N 2 1 334.464 1.764 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000270361821 140086015 /nfs/dbraw/zinc/08/60/15/140086015.db2.gz RPZIJMNLLCUVNN-DLBZAZTESA-N 2 1 327.432 1.936 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000270361821 140086017 /nfs/dbraw/zinc/08/60/17/140086017.db2.gz RPZIJMNLLCUVNN-DLBZAZTESA-N 2 1 327.432 1.936 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000271145517 140245812 /nfs/dbraw/zinc/24/58/12/140245812.db2.gz TURLXYMJNUCZMZ-MJGOQNOKSA-N 2 1 345.487 1.736 20 0 EDADMP NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000331352410 141010628 /nfs/dbraw/zinc/01/06/28/141010628.db2.gz OPWWAHJKDLGKDR-QGZVFWFLSA-N 2 1 337.489 1.535 20 0 EDADMP NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000331352410 141010629 /nfs/dbraw/zinc/01/06/29/141010629.db2.gz OPWWAHJKDLGKDR-QGZVFWFLSA-N 2 1 337.489 1.535 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)CC1 ZINC000331533224 141044116 /nfs/dbraw/zinc/04/41/16/141044116.db2.gz BIBKTBZNNNETAZ-INIZCTEOSA-N 2 1 333.480 1.764 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)CC1 ZINC000331533224 141044117 /nfs/dbraw/zinc/04/41/17/141044117.db2.gz BIBKTBZNNNETAZ-INIZCTEOSA-N 2 1 333.480 1.764 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)nc(C)[nH+]1 ZINC000332089850 141121177 /nfs/dbraw/zinc/12/11/77/141121177.db2.gz UUKQZOGVEPVLHZ-ZBFHGGJFSA-N 2 1 346.479 1.631 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc(N2CCCC2)[nH+]1 ZINC000332173082 141134906 /nfs/dbraw/zinc/13/49/06/141134906.db2.gz QPUMAEOOGUIFIP-XJKSGUPXSA-N 2 1 331.464 1.869 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000332534018 141198152 /nfs/dbraw/zinc/19/81/52/141198152.db2.gz IHDNFOKUBZBMQZ-ZIAGYGMSSA-N 2 1 346.479 1.454 20 0 EDADMP CN1CCO[C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000333221843 141283122 /nfs/dbraw/zinc/28/31/22/141283122.db2.gz DUYJXSNGBMIAMD-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000333349025 141303428 /nfs/dbraw/zinc/30/34/28/141303428.db2.gz RDXXOQNOGUPCGD-UONOGXRCSA-N 2 1 332.448 1.251 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC[N@H+]1C ZINC000333387125 141309954 /nfs/dbraw/zinc/30/99/54/141309954.db2.gz WXYUTMXNRVTANK-XPKDYRNWSA-N 2 1 331.464 1.844 20 0 EDADMP Cc1cc(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000333471000 141322647 /nfs/dbraw/zinc/32/26/47/141322647.db2.gz AJKLPMSFOKAAJM-ULQDDVLXSA-N 2 1 343.475 1.869 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000333553156 141335692 /nfs/dbraw/zinc/33/56/92/141335692.db2.gz MWBHFKLGGUZQMU-DOTOQJQBSA-N 2 1 331.464 1.850 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000333553156 141335693 /nfs/dbraw/zinc/33/56/93/141335693.db2.gz MWBHFKLGGUZQMU-DOTOQJQBSA-N 2 1 331.464 1.850 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC2=CC[NH2+]CC2)C[C@@H](C)O1 ZINC000333644683 141349605 /nfs/dbraw/zinc/34/96/05/141349605.db2.gz IVDZRTFAXGFLPZ-INMHGKMJSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000333867769 141397857 /nfs/dbraw/zinc/39/78/57/141397857.db2.gz TZWKVVBLIYAHCN-UXLLHSPISA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000333867769 141397859 /nfs/dbraw/zinc/39/78/59/141397859.db2.gz TZWKVVBLIYAHCN-UXLLHSPISA-N 2 1 326.485 1.127 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000340202447 142301736 /nfs/dbraw/zinc/30/17/36/142301736.db2.gz IYUGOCHUROHEIN-INIZCTEOSA-N 2 1 349.479 1.031 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000340202447 142301737 /nfs/dbraw/zinc/30/17/37/142301737.db2.gz IYUGOCHUROHEIN-INIZCTEOSA-N 2 1 349.479 1.031 20 0 EDADMP CS(=O)(=O)CC1CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000340235513 142315233 /nfs/dbraw/zinc/31/52/33/142315233.db2.gz HCFBKFQXGQOXEJ-JCYILVPMSA-N 2 1 346.537 1.416 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000340347065 142352612 /nfs/dbraw/zinc/35/26/12/142352612.db2.gz GLFATQFDSSZLSF-CVEARBPZSA-N 2 1 340.512 1.071 20 0 EDADMP CO[C@H](CC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(F)(F)F ZINC000344802011 143013413 /nfs/dbraw/zinc/01/34/13/143013413.db2.gz XRAPEZQPZOGFDO-CYBMUJFWSA-N 2 1 347.385 1.285 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CCC[N@H+]1C ZINC000345294402 143074321 /nfs/dbraw/zinc/07/43/21/143074321.db2.gz BQNHUQZVJRGRHN-HUUCEWRRSA-N 2 1 331.464 1.046 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000346206387 143178800 /nfs/dbraw/zinc/17/88/00/143178800.db2.gz CNUNLFWQAGZZRN-KRWDZBQOSA-N 2 1 327.513 1.922 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000346206387 143178801 /nfs/dbraw/zinc/17/88/01/143178801.db2.gz CNUNLFWQAGZZRN-KRWDZBQOSA-N 2 1 327.513 1.922 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000346211790 143179347 /nfs/dbraw/zinc/17/93/47/143179347.db2.gz WIPOOTPONKDXPI-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346819213 143248751 /nfs/dbraw/zinc/24/87/51/143248751.db2.gz ICLMLZACXZWGKX-WBVHZDCISA-N 2 1 325.497 1.581 20 0 EDADMP C[NH+]1CCC(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000346862922 143252806 /nfs/dbraw/zinc/25/28/06/143252806.db2.gz LAJQLDVNJXZCPC-UHFFFAOYSA-N 2 1 345.487 1.867 20 0 EDADMP C(CC[NH+]1CCOCC1)Cc1nc(CC2=[NH+][C@@H]3CCCC[C@@H]3N2)no1 ZINC000346935552 143263378 /nfs/dbraw/zinc/26/33/78/143263378.db2.gz KIJFIOJFKQPAKD-GASCZTMLSA-N 2 1 347.463 1.580 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346979665 143268021 /nfs/dbraw/zinc/26/80/21/143268021.db2.gz MYQJNWNTTSZSHJ-SJLPKXTDSA-N 2 1 339.524 1.972 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)C[C@@H]1C[C@@H](OC)C[NH+]1C ZINC000347241644 143299154 /nfs/dbraw/zinc/29/91/54/143299154.db2.gz DPRAMHXWDJQPAU-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)C[C@@H]1C[C@@H](OC)C[N@@H+]1C ZINC000347241644 143299155 /nfs/dbraw/zinc/29/91/55/143299155.db2.gz DPRAMHXWDJQPAU-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)C[C@@H]1C[C@@H](OC)C[N@H+]1C ZINC000347241644 143299156 /nfs/dbraw/zinc/29/91/56/143299156.db2.gz DPRAMHXWDJQPAU-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+]([C@@H](C)CO)CC1)c1ccccc1 ZINC000347246050 143299610 /nfs/dbraw/zinc/29/96/10/143299610.db2.gz WHSZZRFHBRUPRF-WMZOPIPTSA-N 2 1 333.476 1.595 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+]([C@@H](C)CO)CC1)c1ccccc1 ZINC000347246050 143299611 /nfs/dbraw/zinc/29/96/11/143299611.db2.gz WHSZZRFHBRUPRF-WMZOPIPTSA-N 2 1 333.476 1.595 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1)c1ccccc1 ZINC000347246050 143299612 /nfs/dbraw/zinc/29/96/12/143299612.db2.gz WHSZZRFHBRUPRF-WMZOPIPTSA-N 2 1 333.476 1.595 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1)c1ccccc1 ZINC000347246050 143299613 /nfs/dbraw/zinc/29/96/13/143299613.db2.gz WHSZZRFHBRUPRF-WMZOPIPTSA-N 2 1 333.476 1.595 20 0 EDADMP CC[NH+](CC)CCOC1CCN(C(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000341088560 143846505 /nfs/dbraw/zinc/84/65/05/143846505.db2.gz NQIVCXBMOWTUEX-UHFFFAOYSA-N 2 1 342.528 1.859 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000369742645 155157631 /nfs/dbraw/zinc/15/76/31/155157631.db2.gz SOTPMYAHJRIAGY-HNNXBMFYSA-N 2 1 326.485 1.271 20 0 EDADMP CCOC1CC(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)(N2CCOCC2)C1 ZINC000193394853 286012601 /nfs/dbraw/zinc/01/26/01/286012601.db2.gz LZKSNUUQOAGRRI-VEZWFGLTSA-N 2 1 325.497 1.329 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000416841174 304350690 /nfs/dbraw/zinc/35/06/90/304350690.db2.gz LOLBYCZTWQPODI-KBMXLJTQSA-N 2 1 334.464 1.595 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CCC[C@@H]1C[NH3+])[NH+](C)C ZINC000416855599 304352075 /nfs/dbraw/zinc/35/20/75/304352075.db2.gz WBMVSFIAPSGODY-KBMXLJTQSA-N 2 1 334.464 1.725 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000341070494 149062903 /nfs/dbraw/zinc/06/29/03/149062903.db2.gz QGFBNLSNXKJNBM-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP Cc1cccc2nc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)cc(=O)n12 ZINC000352774477 149159939 /nfs/dbraw/zinc/15/99/39/149159939.db2.gz WFPFIHYKCLYBEK-UHFFFAOYSA-N 2 1 343.475 1.072 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)C1 ZINC000352827097 149184339 /nfs/dbraw/zinc/18/43/39/149184339.db2.gz MAPNQXJRRPJUDL-IKGGRYGDSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000352827097 149184341 /nfs/dbraw/zinc/18/43/41/149184341.db2.gz MAPNQXJRRPJUDL-IKGGRYGDSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000352827097 149184343 /nfs/dbraw/zinc/18/43/43/149184343.db2.gz MAPNQXJRRPJUDL-IKGGRYGDSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000353248571 149339388 /nfs/dbraw/zinc/33/93/88/149339388.db2.gz BHPDRHVXMFDOEG-APWZRJJASA-N 2 1 343.475 1.628 20 0 EDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000353248571 149339391 /nfs/dbraw/zinc/33/93/91/149339391.db2.gz BHPDRHVXMFDOEG-APWZRJJASA-N 2 1 343.475 1.628 20 0 EDADMP Cc1[nH]nc2ncc(C[N@H+]3CCC[C@H](CN4CCOCC4)C3)cc12 ZINC000353285280 149351434 /nfs/dbraw/zinc/35/14/34/149351434.db2.gz HDSYPCCOOCLYIX-OAHLLOKOSA-N 2 1 329.448 1.811 20 0 EDADMP CCOCC[C@@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000444683723 286127326 /nfs/dbraw/zinc/12/73/26/286127326.db2.gz ZGQZEZXUFDSPSJ-UJJTZGENSA-N 2 1 325.497 1.017 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000355240436 150180354 /nfs/dbraw/zinc/18/03/54/150180354.db2.gz RRXWJTNQGAJLJV-LJQANCHMSA-N 2 1 347.503 1.935 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355267490 150192400 /nfs/dbraw/zinc/19/24/00/150192400.db2.gz DISGRMZXPKREQB-JKSUJKDBSA-N 2 1 340.512 1.214 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)ccc1=O ZINC000355335351 150223225 /nfs/dbraw/zinc/22/32/25/150223225.db2.gz PHRHBENPJPQHNS-MRXNPFEDSA-N 2 1 334.464 1.613 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417028782 304362040 /nfs/dbraw/zinc/36/20/40/304362040.db2.gz BVJQEESQOOCJGG-MHORFTMASA-N 2 1 336.524 1.995 20 0 EDADMP [NH3+]CC[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000357391367 151016719 /nfs/dbraw/zinc/01/67/19/151016719.db2.gz ORAROSNGEPLYJD-LJQANCHMSA-N 2 1 344.503 1.534 20 0 EDADMP CSC1(CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC[NH+](C)CC1 ZINC000357610247 151083835 /nfs/dbraw/zinc/08/38/35/151083835.db2.gz SMFOAZNLUUJOGP-HNNXBMFYSA-N 2 1 342.553 1.845 20 0 EDADMP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000357972197 151216977 /nfs/dbraw/zinc/21/69/77/151216977.db2.gz IZCMQUYXYGMTPK-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000358094984 151268162 /nfs/dbraw/zinc/26/81/62/151268162.db2.gz LMTVYJNPZGGMOM-SJLPKXTDSA-N 2 1 349.523 1.058 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000358167454 151293381 /nfs/dbraw/zinc/29/33/81/151293381.db2.gz MNXYWUAMCBZBJS-NUJGCVRESA-N 2 1 331.460 1.596 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000358167454 151293382 /nfs/dbraw/zinc/29/33/82/151293382.db2.gz MNXYWUAMCBZBJS-NUJGCVRESA-N 2 1 331.460 1.596 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417120184 304374805 /nfs/dbraw/zinc/37/48/05/304374805.db2.gz YRJQRDXZNZOWEA-QKPAOTATSA-N 2 1 348.491 1.831 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417120184 304374807 /nfs/dbraw/zinc/37/48/07/304374807.db2.gz YRJQRDXZNZOWEA-QKPAOTATSA-N 2 1 348.491 1.831 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360742717 152180331 /nfs/dbraw/zinc/18/03/31/152180331.db2.gz AIXOKIGNPYLCBL-GDBMZVCRSA-N 2 1 328.526 1.549 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000360889935 152242876 /nfs/dbraw/zinc/24/28/76/152242876.db2.gz VOJOMSBQLZNXIJ-BBWFWOEESA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000360889935 152242877 /nfs/dbraw/zinc/24/28/77/152242877.db2.gz VOJOMSBQLZNXIJ-BBWFWOEESA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000360889935 152242879 /nfs/dbraw/zinc/24/28/79/152242879.db2.gz VOJOMSBQLZNXIJ-BBWFWOEESA-N 2 1 342.528 1.593 20 0 EDADMP COc1cccc(CNC(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000360930218 152255407 /nfs/dbraw/zinc/25/54/07/152255407.db2.gz ZSHORHOFALMWDO-BHIYHBOVSA-N 2 1 343.471 1.728 20 0 EDADMP Cn1cc([C@H]2[C@@H](CNC(=O)NCC[N@@H+](C)C3CC3)CCC[NH+]2C)cn1 ZINC000361069014 152294579 /nfs/dbraw/zinc/29/45/79/152294579.db2.gz RROUABUNHDNYHZ-RHSMWYFYSA-N 2 1 348.495 1.196 20 0 EDADMP Cn1cc([C@H]2[C@@H](CNC(=O)NCC[NH+](C)C3CC3)CCC[N@@H+]2C)cn1 ZINC000361069014 152294581 /nfs/dbraw/zinc/29/45/81/152294581.db2.gz RROUABUNHDNYHZ-RHSMWYFYSA-N 2 1 348.495 1.196 20 0 EDADMP Cn1cc([C@H]2[C@@H](CNC(=O)NCC[NH+](C)C3CC3)CCC[N@H+]2C)cn1 ZINC000361069014 152294583 /nfs/dbraw/zinc/29/45/83/152294583.db2.gz RROUABUNHDNYHZ-RHSMWYFYSA-N 2 1 348.495 1.196 20 0 EDADMP COCc1noc([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(C)nc(C)n3)C2)n1 ZINC000363650884 153023392 /nfs/dbraw/zinc/02/33/92/153023392.db2.gz JHBTTZISUQFCCA-TZMCWYRMSA-N 2 1 346.435 1.942 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417190174 304382929 /nfs/dbraw/zinc/38/29/29/304382929.db2.gz WYUOXUHGCUDTLR-GOSISDBHSA-N 2 1 348.491 1.836 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)C1CC1 ZINC000364203194 153171524 /nfs/dbraw/zinc/17/15/24/153171524.db2.gz YXYYNZKBWKDCGA-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000364724390 153314322 /nfs/dbraw/zinc/31/43/22/153314322.db2.gz OQOUKHSBFUQRNI-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000364724390 153314325 /nfs/dbraw/zinc/31/43/25/153314325.db2.gz OQOUKHSBFUQRNI-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417243174 304387234 /nfs/dbraw/zinc/38/72/34/304387234.db2.gz VGNWLMMMJFLUNU-KRWDZBQOSA-N 2 1 333.480 1.592 20 0 EDADMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367588726 154190142 /nfs/dbraw/zinc/19/01/42/154190142.db2.gz NPAUENKKTOCIMH-GVDBMIGSSA-N 2 1 337.489 1.557 20 0 EDADMP COC(=O)[C@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@@H]1C1CC1 ZINC000367600265 154195359 /nfs/dbraw/zinc/19/53/59/154195359.db2.gz JDSIBGYVXZDPPM-MSOLQXFVSA-N 2 1 337.508 1.534 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000367625417 154204265 /nfs/dbraw/zinc/20/42/65/154204265.db2.gz XYVWPAUDOPJHJF-OKZBNKHCSA-N 2 1 330.476 1.881 20 0 EDADMP CCc1nc(CN2CCC[C@H]([NH2+][C@H]3CC[N@H+](CC)C[C@H]3C)C2)no1 ZINC000367703462 154236934 /nfs/dbraw/zinc/23/69/34/154236934.db2.gz YNAGIBYYHSXCLX-PMPSAXMXSA-N 2 1 335.496 1.916 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000367834039 154291361 /nfs/dbraw/zinc/29/13/61/154291361.db2.gz VMZOUGRYBDCVOL-QYZOEREBSA-N 2 1 343.471 1.583 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000367834039 154291362 /nfs/dbraw/zinc/29/13/62/154291362.db2.gz VMZOUGRYBDCVOL-QYZOEREBSA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000367834039 154291365 /nfs/dbraw/zinc/29/13/65/154291365.db2.gz VMZOUGRYBDCVOL-QYZOEREBSA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000367834039 154291367 /nfs/dbraw/zinc/29/13/67/154291367.db2.gz VMZOUGRYBDCVOL-QYZOEREBSA-N 2 1 343.471 1.583 20 0 EDADMP Cc1nccn1CCC[N@H+](C)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000368038017 154380791 /nfs/dbraw/zinc/38/07/91/154380791.db2.gz BNVFPSVCCNBZMM-UHFFFAOYSA-N 2 1 325.420 1.904 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000368038017 154380796 /nfs/dbraw/zinc/38/07/96/154380796.db2.gz BNVFPSVCCNBZMM-UHFFFAOYSA-N 2 1 325.420 1.904 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000371569151 156008293 /nfs/dbraw/zinc/00/82/93/156008293.db2.gz DSQWGGDLXMTIGF-QZTJIDSGSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000371908121 156163006 /nfs/dbraw/zinc/16/30/06/156163006.db2.gz ZNUCUKKQLIAMHZ-JQHSSLGASA-N 2 1 337.508 1.412 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)NCCCF)CC2)CC1 ZINC000372033764 156220136 /nfs/dbraw/zinc/22/01/36/156220136.db2.gz PMWMOGNJYCTWQN-UHFFFAOYSA-N 2 1 328.476 1.842 20 0 EDADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000372309652 156324730 /nfs/dbraw/zinc/32/47/30/156324730.db2.gz PAFPMGPGBYVSIM-GOSISDBHSA-N 2 1 346.475 1.998 20 0 EDADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000372309652 156324734 /nfs/dbraw/zinc/32/47/34/156324734.db2.gz PAFPMGPGBYVSIM-GOSISDBHSA-N 2 1 346.475 1.998 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CN3CCCC[C@H]3CO2)C1 ZINC000372341783 156344311 /nfs/dbraw/zinc/34/43/11/156344311.db2.gz IWMMNFWQHWPXHW-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000372341783 156344314 /nfs/dbraw/zinc/34/43/14/156344314.db2.gz IWMMNFWQHWPXHW-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000372341783 156344317 /nfs/dbraw/zinc/34/43/17/156344317.db2.gz IWMMNFWQHWPXHW-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)C1 ZINC000372341783 156344319 /nfs/dbraw/zinc/34/43/19/156344319.db2.gz IWMMNFWQHWPXHW-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)C1 ZINC000372341783 156344321 /nfs/dbraw/zinc/34/43/21/156344321.db2.gz IWMMNFWQHWPXHW-IXDOHACOSA-N 2 1 338.496 1.271 20 0 EDADMP Cc1nc2n(c1C)CCN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C2 ZINC000374249874 157213748 /nfs/dbraw/zinc/21/37/48/157213748.db2.gz QJRZAZJJBCIYQS-UHFFFAOYSA-N 2 1 348.495 1.051 20 0 EDADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCCN1C(=O)CNC1=O)CC2)C1CC1 ZINC000374284575 157225707 /nfs/dbraw/zinc/22/57/07/157225707.db2.gz AMAGAYVWYRYIKZ-CQSZACIVSA-N 2 1 334.464 1.125 20 0 EDADMP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000374585108 157336979 /nfs/dbraw/zinc/33/69/79/157336979.db2.gz NUPVTVUSXINVKM-MJGOQNOKSA-N 2 1 345.487 1.769 20 0 EDADMP CC1(C)CN=C(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)S1 ZINC000377927046 158030424 /nfs/dbraw/zinc/03/04/24/158030424.db2.gz ODYPWSXXERGQHD-CYBMUJFWSA-N 2 1 347.488 1.786 20 0 EDADMP CC(C)OCCN1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377970940 158043082 /nfs/dbraw/zinc/04/30/82/158043082.db2.gz QYSCIZXDFRLLEJ-GOSISDBHSA-N 2 1 343.487 1.768 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000378200729 158106493 /nfs/dbraw/zinc/10/64/93/158106493.db2.gz MGJZYAJBWLAPKT-ROUUACIJSA-N 2 1 330.476 1.315 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000352477616 162202825 /nfs/dbraw/zinc/20/28/25/162202825.db2.gz NOMOTEOIJYOUID-AWEZNQCLSA-N 2 1 349.431 1.114 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000352477616 162202826 /nfs/dbraw/zinc/20/28/26/162202826.db2.gz NOMOTEOIJYOUID-AWEZNQCLSA-N 2 1 349.431 1.114 20 0 EDADMP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000366430520 162382604 /nfs/dbraw/zinc/38/26/04/162382604.db2.gz ILVPGGLRLXHAHW-HZPDHXFCSA-N 2 1 329.510 1.361 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000366430520 162382606 /nfs/dbraw/zinc/38/26/06/162382606.db2.gz ILVPGGLRLXHAHW-HZPDHXFCSA-N 2 1 329.510 1.361 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+](CC)CC)CC[N@H+]1CCOC ZINC000344059342 287146684 /nfs/dbraw/zinc/14/66/84/287146684.db2.gz LQKARUIAHJHECO-HZPDHXFCSA-N 2 1 328.501 1.469 20 0 EDADMP CC(C)[N@H+](C)CC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000063582701 287238283 /nfs/dbraw/zinc/23/82/83/287238283.db2.gz CFNWIWMYVYPBND-UHFFFAOYSA-N 2 1 346.475 1.282 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000063582701 287238284 /nfs/dbraw/zinc/23/82/84/287238284.db2.gz CFNWIWMYVYPBND-UHFFFAOYSA-N 2 1 346.475 1.282 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000073827301 287265241 /nfs/dbraw/zinc/26/52/41/287265241.db2.gz CTKVVEXLDOSALS-HZPDHXFCSA-N 2 1 328.501 1.374 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000073827301 287265244 /nfs/dbraw/zinc/26/52/44/287265244.db2.gz CTKVVEXLDOSALS-HZPDHXFCSA-N 2 1 328.501 1.374 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000073827301 287265247 /nfs/dbraw/zinc/26/52/47/287265247.db2.gz CTKVVEXLDOSALS-HZPDHXFCSA-N 2 1 328.501 1.374 20 0 EDADMP Cc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000166190750 226151050 /nfs/dbraw/zinc/15/10/50/226151050.db2.gz RTWOKDZIROXQTO-HNNXBMFYSA-N 2 1 344.459 1.967 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC2([NH+](C)C)CCC2)C[C@@H](C)O1 ZINC000445875632 296940374 /nfs/dbraw/zinc/94/03/74/296940374.db2.gz OWUVTDSGDYIBTG-HUUCEWRRSA-N 2 1 340.512 1.658 20 0 EDADMP Cc1cc2ncn(C[C@@H](O)C[N@H+](C)C[C@H]3CC[NH+](C)C3)c2cc1C ZINC000275401643 268337408 /nfs/dbraw/zinc/33/74/08/268337408.db2.gz BHZGYNJRRYAGFO-IRXDYDNUSA-N 2 1 330.476 1.898 20 0 EDADMP Cc1cc2ncn(C[C@@H](O)C[NH+](C)C[C@H]3CC[N@H+](C)C3)c2cc1C ZINC000275401643 268337409 /nfs/dbraw/zinc/33/74/09/268337409.db2.gz BHZGYNJRRYAGFO-IRXDYDNUSA-N 2 1 330.476 1.898 20 0 EDADMP Cc1cc2ncn(C[C@@H](O)C[NH+](C)C[C@H]3CC[N@@H+](C)C3)c2cc1C ZINC000275401643 268337411 /nfs/dbraw/zinc/33/74/11/268337411.db2.gz BHZGYNJRRYAGFO-IRXDYDNUSA-N 2 1 330.476 1.898 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000275859145 268378886 /nfs/dbraw/zinc/37/88/86/268378886.db2.gz ZBJFWNVPNFLGBN-KRWDZBQOSA-N 2 1 345.491 1.639 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000275859145 268378887 /nfs/dbraw/zinc/37/88/87/268378887.db2.gz ZBJFWNVPNFLGBN-KRWDZBQOSA-N 2 1 345.491 1.639 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000275859145 268378888 /nfs/dbraw/zinc/37/88/88/268378888.db2.gz ZBJFWNVPNFLGBN-KRWDZBQOSA-N 2 1 345.491 1.639 20 0 EDADMP CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)CCCn1cc[nH+]c1C ZINC000273837764 273056356 /nfs/dbraw/zinc/05/63/56/273056356.db2.gz INVIVMZKNGJBGV-HNNXBMFYSA-N 2 1 337.468 1.064 20 0 EDADMP CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)CCCn1cc[nH+]c1C ZINC000273837764 273056357 /nfs/dbraw/zinc/05/63/57/273056357.db2.gz INVIVMZKNGJBGV-HNNXBMFYSA-N 2 1 337.468 1.064 20 0 EDADMP CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(C)(C)O ZINC000274553402 273095944 /nfs/dbraw/zinc/09/59/44/273095944.db2.gz AHFRRVKNAHPEMD-QGZVFWFLSA-N 2 1 335.492 1.888 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000275241411 273109086 /nfs/dbraw/zinc/10/90/86/273109086.db2.gz NIPFKCHQRJLPOI-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000275241411 273109088 /nfs/dbraw/zinc/10/90/88/273109088.db2.gz NIPFKCHQRJLPOI-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275979113 273138649 /nfs/dbraw/zinc/13/86/49/273138649.db2.gz YAYMUCOTSKSURH-GOEBONIOSA-N 2 1 325.478 1.178 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275979113 273138650 /nfs/dbraw/zinc/13/86/50/273138650.db2.gz YAYMUCOTSKSURH-GOEBONIOSA-N 2 1 325.478 1.178 20 0 EDADMP C[NH+](C)CCc1ccc(CNC(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000276065816 273146030 /nfs/dbraw/zinc/14/60/30/273146030.db2.gz CROXKSNOZGMJNC-UHFFFAOYSA-N 2 1 330.476 1.780 20 0 EDADMP CC[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000172984544 272932831 /nfs/dbraw/zinc/93/28/31/272932831.db2.gz QPIHNHIBIHGFMY-OAHLLOKOSA-N 2 1 341.496 1.354 20 0 EDADMP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000362564188 275011270 /nfs/dbraw/zinc/01/12/70/275011270.db2.gz IKOZXONMHMUQOK-AWEZNQCLSA-N 2 1 331.464 1.577 20 0 EDADMP O=S1(=O)CCCN1[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647990275 452733528 /nfs/dbraw/zinc/73/35/28/452733528.db2.gz NHPQCCFHUPNLPO-INIZCTEOSA-N 2 1 329.510 1.266 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@](CO)(C(C)C)C2)CC1 ZINC000339704505 276149886 /nfs/dbraw/zinc/14/98/86/276149886.db2.gz WUPZQTFDPWOKNT-SFHVURJKSA-N 2 1 325.497 1.317 20 0 EDADMP CCOCC[N@H+](C)C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348155466 276317462 /nfs/dbraw/zinc/31/74/62/276317462.db2.gz CAGHXWDCESCLJR-ZIAGYGMSSA-N 2 1 325.432 1.428 20 0 EDADMP CCOCC[N@@H+](C)C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348155466 276317464 /nfs/dbraw/zinc/31/74/64/276317464.db2.gz CAGHXWDCESCLJR-ZIAGYGMSSA-N 2 1 325.432 1.428 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N[C@@H](C[NH3+])C2CCCC2)c2ccccc2)CC1 ZINC000423959925 277110349 /nfs/dbraw/zinc/11/03/49/277110349.db2.gz NCGWLNSIZWMMRO-RBUKOAKNSA-N 2 1 344.503 1.609 20 0 EDADMP COCCC[N@H+](C)C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348188343 277205727 /nfs/dbraw/zinc/20/57/27/277205727.db2.gz YCMHXJTVNVVJFR-UONOGXRCSA-N 2 1 325.432 1.428 20 0 EDADMP COCCC[N@@H+](C)C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348188343 277205728 /nfs/dbraw/zinc/20/57/28/277205728.db2.gz YCMHXJTVNVVJFR-UONOGXRCSA-N 2 1 325.432 1.428 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000357221047 277213894 /nfs/dbraw/zinc/21/38/94/277213894.db2.gz BPFRCNNSWHJQLK-ROUUACIJSA-N 2 1 349.475 1.191 20 0 EDADMP COCC[C@@H]1CCCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000368657447 277237105 /nfs/dbraw/zinc/23/71/05/277237105.db2.gz BXMSMICQYLONNC-KRWDZBQOSA-N 2 1 347.507 1.867 20 0 EDADMP COCC[C@@H]1CCCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000368657447 277237108 /nfs/dbraw/zinc/23/71/08/277237108.db2.gz BXMSMICQYLONNC-KRWDZBQOSA-N 2 1 347.507 1.867 20 0 EDADMP COC(=O)CCC[NH+]1CCC(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000342772613 277315897 /nfs/dbraw/zinc/31/58/97/277315897.db2.gz AEKNZSYPFVKRCB-WBVHZDCISA-N 2 1 325.497 1.722 20 0 EDADMP Cn1cc([C@H]2[C@H](CNc3[nH+]cnc4[nH]ccc43)CCC[N@@H+]2C)cn1 ZINC000377703328 447304896 /nfs/dbraw/zinc/30/48/96/447304896.db2.gz MGHNKNFPEXAKHM-SWLSCSKDSA-N 2 1 325.420 2.186 20 0 EDADMP Cn1cc([C@H]2[C@H](CNc3[nH+]cnc4[nH]ccc43)CCC[N@H+]2C)cn1 ZINC000377703328 447304900 /nfs/dbraw/zinc/30/49/00/447304900.db2.gz MGHNKNFPEXAKHM-SWLSCSKDSA-N 2 1 325.420 2.186 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000373886618 278191746 /nfs/dbraw/zinc/19/17/46/278191746.db2.gz UKWMFIJVKGOUKO-SJLPKXTDSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@@H](C(=O)N1CC[C@]2(CC[NH+](C)C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000346318718 278196867 /nfs/dbraw/zinc/19/68/67/278196867.db2.gz KASSADAZYZMKEA-JXFKEZNVSA-N 2 1 327.472 1.987 20 0 EDADMP C[C@@H](C(=O)N1CC[C@]2(CC[NH+](C)C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000346318718 278196868 /nfs/dbraw/zinc/19/68/68/278196868.db2.gz KASSADAZYZMKEA-JXFKEZNVSA-N 2 1 327.472 1.987 20 0 EDADMP C[C@@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000346318718 278196869 /nfs/dbraw/zinc/19/68/69/278196869.db2.gz KASSADAZYZMKEA-JXFKEZNVSA-N 2 1 327.472 1.987 20 0 EDADMP C[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000346318718 278196870 /nfs/dbraw/zinc/19/68/70/278196870.db2.gz KASSADAZYZMKEA-JXFKEZNVSA-N 2 1 327.472 1.987 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000262850960 278305990 /nfs/dbraw/zinc/30/59/90/278305990.db2.gz SHIQUHPTBDUDLJ-SJLPKXTDSA-N 2 1 332.492 1.609 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000262850960 278305991 /nfs/dbraw/zinc/30/59/91/278305991.db2.gz SHIQUHPTBDUDLJ-SJLPKXTDSA-N 2 1 332.492 1.609 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000262850960 278305994 /nfs/dbraw/zinc/30/59/94/278305994.db2.gz SHIQUHPTBDUDLJ-SJLPKXTDSA-N 2 1 332.492 1.609 20 0 EDADMP C[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749126 278346563 /nfs/dbraw/zinc/34/65/63/278346563.db2.gz PEHUHVUKLPTXBX-KGLIPLIRSA-N 2 1 336.480 1.559 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C)C1CC1 ZINC000347864571 279055192 /nfs/dbraw/zinc/05/51/92/279055192.db2.gz PVKCHBXPSFBDRH-KDOFPFPSSA-N 2 1 333.480 1.404 20 0 EDADMP CC[NH+](CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C1CC1 ZINC000347864571 279055193 /nfs/dbraw/zinc/05/51/93/279055193.db2.gz PVKCHBXPSFBDRH-KDOFPFPSSA-N 2 1 333.480 1.404 20 0 EDADMP CC[NH+](CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C1CC1 ZINC000347864571 279055194 /nfs/dbraw/zinc/05/51/94/279055194.db2.gz PVKCHBXPSFBDRH-KDOFPFPSSA-N 2 1 333.480 1.404 20 0 EDADMP CC[C@H](O)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000338287951 288101218 /nfs/dbraw/zinc/10/12/18/288101218.db2.gz WCLRLPTURXBWHD-SFHVURJKSA-N 2 1 333.476 1.424 20 0 EDADMP CC[C@H](O)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000338287951 288101222 /nfs/dbraw/zinc/10/12/22/288101222.db2.gz WCLRLPTURXBWHD-SFHVURJKSA-N 2 1 333.476 1.424 20 0 EDADMP CC(C)C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000346815244 279147560 /nfs/dbraw/zinc/14/75/60/279147560.db2.gz NZMQNOYGEAKPQW-QGZVFWFLSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[C@H](CNC(=O)NCC[N@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000101978668 279153271 /nfs/dbraw/zinc/15/32/71/279153271.db2.gz PKGVBPLBLXQNFJ-MRXNPFEDSA-N 2 1 328.501 1.373 20 0 EDADMP CC(C)C[C@H](CNC(=O)NCC[N@@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000101978668 279153273 /nfs/dbraw/zinc/15/32/73/279153273.db2.gz PKGVBPLBLXQNFJ-MRXNPFEDSA-N 2 1 328.501 1.373 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000166433526 279175364 /nfs/dbraw/zinc/17/53/64/279175364.db2.gz AQUBNWKZBHPCFK-UXLLHSPISA-N 2 1 325.497 1.708 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH+]1CC(C)C)C(C)C ZINC000359554789 279190747 /nfs/dbraw/zinc/19/07/47/279190747.db2.gz NILUBRIAZOJJOT-INIZCTEOSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC000359554789 279190749 /nfs/dbraw/zinc/19/07/49/279190749.db2.gz NILUBRIAZOJJOT-INIZCTEOSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC000359554789 279190751 /nfs/dbraw/zinc/19/07/51/279190751.db2.gz NILUBRIAZOJJOT-INIZCTEOSA-N 2 1 340.512 1.070 20 0 EDADMP CC[N@H+](CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)C(C)C ZINC000355651700 279203203 /nfs/dbraw/zinc/20/32/03/279203203.db2.gz LACIUFOVDUZKLW-LJQANCHMSA-N 2 1 346.519 1.822 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)C(C)C ZINC000355651700 279203204 /nfs/dbraw/zinc/20/32/04/279203204.db2.gz LACIUFOVDUZKLW-LJQANCHMSA-N 2 1 346.519 1.822 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000342566352 279329034 /nfs/dbraw/zinc/32/90/34/279329034.db2.gz GDCDXQZXBTZVNW-JKSUJKDBSA-N 2 1 347.507 1.704 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000342566352 279329035 /nfs/dbraw/zinc/32/90/35/279329035.db2.gz GDCDXQZXBTZVNW-JKSUJKDBSA-N 2 1 347.507 1.704 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000342566352 279329037 /nfs/dbraw/zinc/32/90/37/279329037.db2.gz GDCDXQZXBTZVNW-JKSUJKDBSA-N 2 1 347.507 1.704 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)N3CCCCCC3)C2)CC1 ZINC000245914158 279369354 /nfs/dbraw/zinc/36/93/54/279369354.db2.gz KEMXZOKQJXBVSP-QZTJIDSGSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCC(F)(F)C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000417871030 280004434 /nfs/dbraw/zinc/00/44/34/280004434.db2.gz JDCYQUDRBGOPBB-JSGCOSHPSA-N 2 1 326.391 1.543 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCC(F)(F)C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000417871030 280004435 /nfs/dbraw/zinc/00/44/35/280004435.db2.gz JDCYQUDRBGOPBB-JSGCOSHPSA-N 2 1 326.391 1.543 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262224957 281074215 /nfs/dbraw/zinc/07/42/15/281074215.db2.gz JUUIZXHBFWKEME-HNNXBMFYSA-N 2 1 325.497 1.759 20 0 EDADMP CCCc1nc(C)c(CNCc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000291784126 289179499 /nfs/dbraw/zinc/17/94/99/289179499.db2.gz VGYLKJQNUCNAKD-UHFFFAOYSA-N 2 1 344.463 1.767 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc(N2CCCC2)[nH+]1 ZINC000291887934 289206844 /nfs/dbraw/zinc/20/68/44/289206844.db2.gz JSXYRQSUSOFECI-INIZCTEOSA-N 2 1 331.464 1.836 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)[C@H](c2ccccc2)C1 ZINC000333757128 290014832 /nfs/dbraw/zinc/01/48/32/290014832.db2.gz ZYYDQTWLXMVSSE-SJORKVTESA-N 2 1 332.448 1.063 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)[C@H](c2ccccc2)C1 ZINC000333757128 290014834 /nfs/dbraw/zinc/01/48/34/290014834.db2.gz ZYYDQTWLXMVSSE-SJORKVTESA-N 2 1 332.448 1.063 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C[C@H]1C ZINC000351883065 290095355 /nfs/dbraw/zinc/09/53/55/290095355.db2.gz MZEVPURHXFTGDG-TWMKSMIVSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C[C@H]1C ZINC000351883065 290095357 /nfs/dbraw/zinc/09/53/57/290095357.db2.gz MZEVPURHXFTGDG-TWMKSMIVSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C[C@H]1C ZINC000351883065 290095361 /nfs/dbraw/zinc/09/53/61/290095361.db2.gz MZEVPURHXFTGDG-TWMKSMIVSA-N 2 1 340.512 1.346 20 0 EDADMP Cn1cc([C@H]2[C@H](CNC(=O)NC3CC[NH+](C)CC3)CCC[N@H+]2C)cn1 ZINC000377713064 447310340 /nfs/dbraw/zinc/31/03/40/447310340.db2.gz RPVZCHWAHOUQFW-WMLDXEAASA-N 2 1 348.495 1.196 20 0 EDADMP COCCc1ccc(OC[C@@H](O)C[N@@H+](C)CCCn2ccnc2)cc1 ZINC000293710193 303007279 /nfs/dbraw/zinc/00/72/79/303007279.db2.gz DQUBPYKIFDGTGG-SFHVURJKSA-N 2 1 347.459 1.834 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000294132476 303067276 /nfs/dbraw/zinc/06/72/76/303067276.db2.gz LJFFOCYAMBIEAI-UHFFFAOYSA-N 2 1 345.447 1.772 20 0 EDADMP C[C@@H](C[NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000295273087 303197752 /nfs/dbraw/zinc/19/77/52/303197752.db2.gz VTGWPLSUJZOAGF-ZDUSSCGKSA-N 2 1 325.403 1.822 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000664758946 453384343 /nfs/dbraw/zinc/38/43/43/453384343.db2.gz QZLGJPJXYJDSOH-INIZCTEOSA-N 2 1 342.528 1.907 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000664758946 453384351 /nfs/dbraw/zinc/38/43/51/453384351.db2.gz QZLGJPJXYJDSOH-INIZCTEOSA-N 2 1 342.528 1.907 20 0 EDADMP CC[C@@H](CO)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000295624773 303243584 /nfs/dbraw/zinc/24/35/84/303243584.db2.gz FKPMXIAFWLRIFO-IBGZPJMESA-N 2 1 347.503 1.732 20 0 EDADMP CC[C@@H](CO)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000295624773 303243586 /nfs/dbraw/zinc/24/35/86/303243586.db2.gz FKPMXIAFWLRIFO-IBGZPJMESA-N 2 1 347.503 1.732 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000296480228 303319485 /nfs/dbraw/zinc/31/94/85/303319485.db2.gz WPMMXTQTJNQVMA-KRWDZBQOSA-N 2 1 334.464 1.717 20 0 EDADMP CCOc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414888158 447345043 /nfs/dbraw/zinc/34/50/43/447345043.db2.gz JVTKQGWGTLDQDL-BBRMVZONSA-N 2 1 349.475 1.768 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)/C=C/C[NH+](C)C ZINC000493574223 447345112 /nfs/dbraw/zinc/34/51/12/447345112.db2.gz ABWDZNTUOSXPHW-AXJDHONKSA-N 2 1 345.487 1.758 20 0 EDADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CC2 ZINC000422996620 304882532 /nfs/dbraw/zinc/88/25/32/304882532.db2.gz UDDMPGMYHMSQTD-FPCVCCKLSA-N 2 1 333.480 1.463 20 0 EDADMP COC[C@@]1(C[NH2+][C@H](C)CC(=O)Nc2ccccc2OC)CCC[NH2+]1 ZINC000423427339 304895809 /nfs/dbraw/zinc/89/58/09/304895809.db2.gz NUJIOICSUSVXFG-KDOFPFPSSA-N 2 1 335.448 1.771 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)cc2F)CC1 ZINC000429169075 305025067 /nfs/dbraw/zinc/02/50/67/305025067.db2.gz GQNNQYVNMDFDPA-WMLDXEAASA-N 2 1 348.466 1.777 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000429669956 305034590 /nfs/dbraw/zinc/03/45/90/305034590.db2.gz FQSUAXDHGOQHSX-UHFFFAOYSA-N 2 1 338.540 1.594 20 0 EDADMP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000429669956 305034591 /nfs/dbraw/zinc/03/45/91/305034591.db2.gz FQSUAXDHGOQHSX-UHFFFAOYSA-N 3 1 338.540 1.594 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000429669956 305034592 /nfs/dbraw/zinc/03/45/92/305034592.db2.gz FQSUAXDHGOQHSX-UHFFFAOYSA-N 3 1 338.540 1.594 20 0 EDADMP [NH3+]CCCOC1CC[NH+]([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000430596981 305057853 /nfs/dbraw/zinc/05/78/53/305057853.db2.gz KODABGOIKVZJRY-KRWDZBQOSA-N 2 1 335.423 1.761 20 0 EDADMP O=C(COC1C[NH2+]C1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000430744157 305063715 /nfs/dbraw/zinc/06/37/15/305063715.db2.gz MXCCBLZCJRMWOW-UHFFFAOYSA-N 2 1 337.851 1.363 20 0 EDADMP O=C(COC1C[NH2+]C1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000430744157 305063716 /nfs/dbraw/zinc/06/37/16/305063716.db2.gz MXCCBLZCJRMWOW-UHFFFAOYSA-N 2 1 337.851 1.363 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000430938389 305069351 /nfs/dbraw/zinc/06/93/51/305069351.db2.gz HUBATMJYVHWILC-ZFWWWQNUSA-N 2 1 335.448 1.032 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000430938389 305069352 /nfs/dbraw/zinc/06/93/52/305069352.db2.gz HUBATMJYVHWILC-ZFWWWQNUSA-N 2 1 335.448 1.032 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430964200 305071235 /nfs/dbraw/zinc/07/12/35/305071235.db2.gz DCBDLZXWXWKVIK-CABCVRRESA-N 2 1 334.439 1.143 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430964200 305071236 /nfs/dbraw/zinc/07/12/36/305071236.db2.gz DCBDLZXWXWKVIK-CABCVRRESA-N 2 1 334.439 1.143 20 0 EDADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2c(C)nc3c2CCCC3)C1 ZINC000432076197 305086871 /nfs/dbraw/zinc/08/68/71/305086871.db2.gz GSQTZBDBJHXCTK-TZMCWYRMSA-N 2 1 347.463 1.551 20 0 EDADMP CN(C)[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccs1 ZINC000433121198 305100834 /nfs/dbraw/zinc/10/08/34/305100834.db2.gz QTZDNGQJLZLWPH-OAHLLOKOSA-N 2 1 338.521 1.670 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000433156956 305101929 /nfs/dbraw/zinc/10/19/29/305101929.db2.gz DLIJKAHDNFIMFN-OALUTQOASA-N 2 1 346.519 1.712 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000433156956 305101930 /nfs/dbraw/zinc/10/19/30/305101930.db2.gz DLIJKAHDNFIMFN-OALUTQOASA-N 2 1 346.519 1.712 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000433156956 305101931 /nfs/dbraw/zinc/10/19/31/305101931.db2.gz DLIJKAHDNFIMFN-OALUTQOASA-N 2 1 346.519 1.712 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC2CC[NH+](C3CC3)CC2)CCCO1 ZINC000433285161 305105013 /nfs/dbraw/zinc/10/50/13/305105013.db2.gz LJNBFYSYGQYRSG-HNNXBMFYSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000433386165 305107246 /nfs/dbraw/zinc/10/72/46/305107246.db2.gz GYMLPTUXKYAIND-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000433386165 305107247 /nfs/dbraw/zinc/10/72/47/305107247.db2.gz GYMLPTUXKYAIND-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000433386165 305107248 /nfs/dbraw/zinc/10/72/48/305107248.db2.gz GYMLPTUXKYAIND-OAGGEKHMSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000433395208 305107764 /nfs/dbraw/zinc/10/77/64/305107764.db2.gz PZNHNWZGMFEWPE-CVEARBPZSA-N 2 1 338.496 1.437 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000433395208 305107765 /nfs/dbraw/zinc/10/77/65/305107765.db2.gz PZNHNWZGMFEWPE-CVEARBPZSA-N 2 1 338.496 1.437 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000433395208 305107766 /nfs/dbraw/zinc/10/77/66/305107766.db2.gz PZNHNWZGMFEWPE-CVEARBPZSA-N 2 1 338.496 1.437 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CCC[N@H+]1C ZINC000433411718 305108407 /nfs/dbraw/zinc/10/84/07/305108407.db2.gz QWECWKRQLOKIBT-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CCC[NH+]1C ZINC000433411718 305108408 /nfs/dbraw/zinc/10/84/08/305108408.db2.gz QWECWKRQLOKIBT-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CCC[NH+]1C ZINC000433411718 305108409 /nfs/dbraw/zinc/10/84/09/305108409.db2.gz QWECWKRQLOKIBT-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433919148 305114629 /nfs/dbraw/zinc/11/46/29/305114629.db2.gz MMGYPMJCCQOIHR-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433919148 305114630 /nfs/dbraw/zinc/11/46/30/305114630.db2.gz MMGYPMJCCQOIHR-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433919148 305114631 /nfs/dbraw/zinc/11/46/31/305114631.db2.gz MMGYPMJCCQOIHR-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000433980631 305116382 /nfs/dbraw/zinc/11/63/82/305116382.db2.gz JGPGPGJDZNIYCI-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000433980631 305116383 /nfs/dbraw/zinc/11/63/83/305116383.db2.gz JGPGPGJDZNIYCI-IYBDPMFKSA-N 2 1 340.512 1.611 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000434455426 305123049 /nfs/dbraw/zinc/12/30/49/305123049.db2.gz ZDDZYRVCBJOSSL-QGZVFWFLSA-N 2 1 330.476 1.704 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435235363 305137593 /nfs/dbraw/zinc/13/75/93/305137593.db2.gz DJGOIROOCQPGBU-RTBURBONSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435235363 305137594 /nfs/dbraw/zinc/13/75/94/305137594.db2.gz DJGOIROOCQPGBU-RTBURBONSA-N 2 1 343.471 1.630 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000435374491 305139241 /nfs/dbraw/zinc/13/92/41/305139241.db2.gz JCAIAJRAXLKQGD-RDJZCZTQSA-N 2 1 331.460 1.857 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000435374491 305139242 /nfs/dbraw/zinc/13/92/42/305139242.db2.gz JCAIAJRAXLKQGD-RDJZCZTQSA-N 2 1 331.460 1.857 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OCC(=O)N3CCCC3)C[C@@H]12 ZINC000435385758 305139586 /nfs/dbraw/zinc/13/95/86/305139586.db2.gz UAHJQTQBGJSPMJ-KBAYOESNSA-N 2 1 343.471 1.857 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436065226 305151934 /nfs/dbraw/zinc/15/19/34/305151934.db2.gz OQZZBRMXTPRCNG-IXDOHACOSA-N 2 1 325.497 1.901 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000436488730 305158635 /nfs/dbraw/zinc/15/86/35/305158635.db2.gz NOZALSJHDIGQON-HUUCEWRRSA-N 2 1 334.468 1.535 20 0 EDADMP Cc1noc(C2CCC([NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)n1 ZINC000438828964 305189760 /nfs/dbraw/zinc/18/97/60/305189760.db2.gz IXRXFRZLWDJKKW-HWOWSKLDSA-N 2 1 349.479 1.581 20 0 EDADMP CC(C)[C@H](C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000442968613 305232333 /nfs/dbraw/zinc/23/23/33/305232333.db2.gz SIRPWDHQFXSYFQ-QGZVFWFLSA-N 2 1 338.540 1.639 20 0 EDADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](CO)CC(C)(C)C ZINC000449582093 305314650 /nfs/dbraw/zinc/31/46/50/305314650.db2.gz DNVHBPZHQDVQRD-MRXNPFEDSA-N 2 1 335.496 1.457 20 0 EDADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](CO)CC(C)(C)C ZINC000449582093 305314651 /nfs/dbraw/zinc/31/46/51/305314651.db2.gz DNVHBPZHQDVQRD-MRXNPFEDSA-N 2 1 335.496 1.457 20 0 EDADMP CCOc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)on1 ZINC000448852063 447352354 /nfs/dbraw/zinc/35/23/54/447352354.db2.gz HSIRVUFYXJVVLX-CQSZACIVSA-N 2 1 338.452 1.561 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH+](C)C)[C@@H](C)C1 ZINC000458412819 447354563 /nfs/dbraw/zinc/35/45/63/447354563.db2.gz OPBZJCQEQGJQQH-HOTGVXAUSA-N 2 1 342.528 1.763 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000517651938 305754661 /nfs/dbraw/zinc/75/46/61/305754661.db2.gz TWZCWVYCKBJGKZ-UHFFFAOYSA-N 2 1 339.399 1.185 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414922031 447358172 /nfs/dbraw/zinc/35/81/72/447358172.db2.gz GCDWOZOGYGKKDM-XJKSGUPXSA-N 2 1 332.448 1.588 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000414940247 447366329 /nfs/dbraw/zinc/36/63/29/447366329.db2.gz XLVZMDWLEAVWCN-CZUORRHYSA-N 2 1 330.432 1.342 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000414940247 447366334 /nfs/dbraw/zinc/36/63/34/447366334.db2.gz XLVZMDWLEAVWCN-CZUORRHYSA-N 2 1 330.432 1.342 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000535013496 306010402 /nfs/dbraw/zinc/01/04/02/306010402.db2.gz WXVXURWHYQLLFH-SQNIBIBYSA-N 2 1 325.497 1.140 20 0 EDADMP CN1CCC[C@@H]([NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000539811881 306036916 /nfs/dbraw/zinc/03/69/16/306036916.db2.gz RKJJGAYAIRZAOK-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CN1CCC[C@@H]([NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000539811881 306036917 /nfs/dbraw/zinc/03/69/17/306036917.db2.gz RKJJGAYAIRZAOK-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000542649066 306055931 /nfs/dbraw/zinc/05/59/31/306055931.db2.gz WRQMNSALFLZILI-ZDUSSCGKSA-N 2 1 344.463 1.496 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000542649066 306055932 /nfs/dbraw/zinc/05/59/32/306055932.db2.gz WRQMNSALFLZILI-ZDUSSCGKSA-N 2 1 344.463 1.496 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000543027391 306060100 /nfs/dbraw/zinc/06/01/00/306060100.db2.gz RNVCSJKAILBFLN-ZWKOTPCHSA-N 2 1 330.476 1.704 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000543393475 306063411 /nfs/dbraw/zinc/06/34/11/306063411.db2.gz GJZLCOXURGEQCV-GOSISDBHSA-N 2 1 325.416 1.678 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000548102792 306119964 /nfs/dbraw/zinc/11/99/64/306119964.db2.gz FXOVEBFKEHKNAN-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000548102792 306119965 /nfs/dbraw/zinc/11/99/65/306119965.db2.gz FXOVEBFKEHKNAN-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000548102792 306119966 /nfs/dbraw/zinc/11/99/66/306119966.db2.gz FXOVEBFKEHKNAN-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP C[N@H+]1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1(C)C ZINC000550107470 306150707 /nfs/dbraw/zinc/15/07/07/306150707.db2.gz OFTBXBHUBZSOSR-GOSISDBHSA-N 2 1 345.487 1.830 20 0 EDADMP CN1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1(C)C ZINC000550107470 306150708 /nfs/dbraw/zinc/15/07/08/306150708.db2.gz OFTBXBHUBZSOSR-GOSISDBHSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1C[C@@H](C)O[C@@H]1C ZINC000665146265 453588965 /nfs/dbraw/zinc/58/89/65/453588965.db2.gz UPQNXMFZCFPJRL-ZJIFWQFVSA-N 2 1 328.501 1.371 20 0 EDADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cc1Cl ZINC000414979486 447382983 /nfs/dbraw/zinc/38/29/83/447382983.db2.gz UJZKWXRQORLOOZ-UKRRQHHQSA-N 2 1 338.883 1.859 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CSCC(C)=O ZINC000426117353 447392531 /nfs/dbraw/zinc/39/25/31/447392531.db2.gz DSWIDJYPWYPSJH-OAHLLOKOSA-N 2 1 329.510 1.183 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000426125440 447394291 /nfs/dbraw/zinc/39/42/91/447394291.db2.gz DTWZGDLHIVSPDH-SCTDSRPQSA-N 2 1 348.535 1.630 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426125440 447394295 /nfs/dbraw/zinc/39/42/95/447394295.db2.gz DTWZGDLHIVSPDH-SCTDSRPQSA-N 2 1 348.535 1.630 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426125440 447394299 /nfs/dbraw/zinc/39/42/99/447394299.db2.gz DTWZGDLHIVSPDH-SCTDSRPQSA-N 2 1 348.535 1.630 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659309862 453710699 /nfs/dbraw/zinc/71/06/99/453710699.db2.gz ZQCIUCPUKHWOTH-VXNVDRBHSA-N 2 1 344.278 1.842 20 0 EDADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCN3C(=O)CNC3=O)C2)CC1 ZINC000104949709 441222989 /nfs/dbraw/zinc/22/29/89/441222989.db2.gz JFWXGYOJBNGNMF-INIZCTEOSA-N 2 1 336.480 1.372 20 0 EDADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCN3C(=O)CNC3=O)C2)CC1 ZINC000104949709 441222992 /nfs/dbraw/zinc/22/29/92/441222992.db2.gz JFWXGYOJBNGNMF-INIZCTEOSA-N 2 1 336.480 1.372 20 0 EDADMP C[C@H](CNC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)[NH+](C)C1CC1 ZINC000105262723 441245540 /nfs/dbraw/zinc/24/55/40/441245540.db2.gz BKMUPNMXXFRFGF-CABCVRRESA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H](CNC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1)[N@H+](C)C1CC1 ZINC000105262723 441245544 /nfs/dbraw/zinc/24/55/44/441245544.db2.gz BKMUPNMXXFRFGF-CABCVRRESA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H](CNC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1)[N@@H+](C)C1CC1 ZINC000105262723 441245548 /nfs/dbraw/zinc/24/55/48/441245548.db2.gz BKMUPNMXXFRFGF-CABCVRRESA-N 2 1 338.496 1.364 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000081385191 441263046 /nfs/dbraw/zinc/26/30/46/441263046.db2.gz IUOGWGRYDZNFGO-GOSISDBHSA-N 2 1 339.443 1.801 20 0 EDADMP CC[NH+]1CCN(CC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000073553583 441324256 /nfs/dbraw/zinc/32/42/56/441324256.db2.gz ZQTHMLREIXRKLA-QGZVFWFLSA-N 2 1 332.492 1.261 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NCC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000073643394 441336979 /nfs/dbraw/zinc/33/69/79/441336979.db2.gz NCVPHNGRMDDSMQ-UHFFFAOYSA-N 2 1 338.540 1.497 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](CCOC)CC2)o1 ZINC000048429129 441305943 /nfs/dbraw/zinc/30/59/43/441305943.db2.gz USJIUOQULWHGMC-UHFFFAOYSA-N 2 1 337.464 1.916 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000074371419 441428599 /nfs/dbraw/zinc/42/85/99/441428599.db2.gz VOULGNWBELHNDQ-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000074181705 441403918 /nfs/dbraw/zinc/40/39/18/441403918.db2.gz STBNPZOQNMTMLW-INIZCTEOSA-N 2 1 329.488 1.886 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000074855661 441472924 /nfs/dbraw/zinc/47/29/24/441472924.db2.gz MWZHYDDOKZMGAS-RCCFBDPRSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000074855661 441472927 /nfs/dbraw/zinc/47/29/27/441472927.db2.gz MWZHYDDOKZMGAS-RCCFBDPRSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000074855661 441472933 /nfs/dbraw/zinc/47/29/33/441472933.db2.gz MWZHYDDOKZMGAS-RCCFBDPRSA-N 2 1 334.508 1.987 20 0 EDADMP CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000108547656 441462716 /nfs/dbraw/zinc/46/27/16/441462716.db2.gz MJLKEJWZSXBBID-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000108547656 441462720 /nfs/dbraw/zinc/46/27/20/441462720.db2.gz MJLKEJWZSXBBID-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000108549815 441463466 /nfs/dbraw/zinc/46/34/66/441463466.db2.gz VMEYEHXONUGFJT-KRWDZBQOSA-N 2 1 348.491 1.768 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@H]1CC[NH+](CC2CC2)C1)Cc1ccccc1 ZINC000108562865 441464989 /nfs/dbraw/zinc/46/49/89/441464989.db2.gz RPXGQLQANRYQBS-SFHVURJKSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+](CCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000108562865 441464992 /nfs/dbraw/zinc/46/49/92/441464992.db2.gz RPXGQLQANRYQBS-SFHVURJKSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+](CCNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000108562865 441464995 /nfs/dbraw/zinc/46/49/95/441464995.db2.gz RPXGQLQANRYQBS-SFHVURJKSA-N 2 1 330.476 1.902 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000108562709 441465259 /nfs/dbraw/zinc/46/52/59/441465259.db2.gz CGHPZHLEXBOPML-INIZCTEOSA-N 2 1 348.516 1.890 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000108562709 441465263 /nfs/dbraw/zinc/46/52/63/441465263.db2.gz CGHPZHLEXBOPML-INIZCTEOSA-N 2 1 348.516 1.890 20 0 EDADMP O=C(NCC[NH+]1CCc2sccc2C1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108562709 441465266 /nfs/dbraw/zinc/46/52/66/441465266.db2.gz CGHPZHLEXBOPML-INIZCTEOSA-N 2 1 348.516 1.890 20 0 EDADMP O=C(NCC[NH+]1CCc2sccc2C1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108562709 441465269 /nfs/dbraw/zinc/46/52/69/441465269.db2.gz CGHPZHLEXBOPML-INIZCTEOSA-N 2 1 348.516 1.890 20 0 EDADMP Cc1nn(C)c2ncc(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)cc12 ZINC000111386090 441535745 /nfs/dbraw/zinc/53/57/45/441535745.db2.gz MXLSKCKQKJYGLV-INIZCTEOSA-N 2 1 331.464 1.603 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000067286781 441624657 /nfs/dbraw/zinc/62/46/57/441624657.db2.gz MCNCBIMDRIXHSJ-QZTJIDSGSA-N 2 1 339.524 1.970 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000158189803 441702344 /nfs/dbraw/zinc/70/23/44/441702344.db2.gz KLOVHQALLGMSAR-UONOGXRCSA-N 2 1 325.478 1.587 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000158189803 441702354 /nfs/dbraw/zinc/70/23/54/441702354.db2.gz KLOVHQALLGMSAR-UONOGXRCSA-N 2 1 325.478 1.587 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCCN1CCOCC1 ZINC000159002230 441780494 /nfs/dbraw/zinc/78/04/94/441780494.db2.gz IPYNBJXKMGWJIW-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP CC[NH+](CC)C[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC000173562824 441792703 /nfs/dbraw/zinc/79/27/03/441792703.db2.gz NCROCXREPRLGMN-QGZVFWFLSA-N 2 1 325.497 1.679 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC[NH+](C)C1CC1 ZINC000077596717 441812848 /nfs/dbraw/zinc/81/28/48/441812848.db2.gz DIVXKSISGWTHLE-MRXNPFEDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC[NH+](C)C1CC1 ZINC000077596717 441812854 /nfs/dbraw/zinc/81/28/54/441812854.db2.gz DIVXKSISGWTHLE-MRXNPFEDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NCC[N@H+](C)C1CC1 ZINC000077596717 441812862 /nfs/dbraw/zinc/81/28/62/441812862.db2.gz DIVXKSISGWTHLE-MRXNPFEDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000077596717 441812867 /nfs/dbraw/zinc/81/28/67/441812867.db2.gz DIVXKSISGWTHLE-MRXNPFEDSA-N 2 1 330.476 1.997 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000139603344 441822363 /nfs/dbraw/zinc/82/23/63/441822363.db2.gz KJMNWDLIKLQFTQ-GOSISDBHSA-N 2 1 345.491 1.202 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000139603344 441822371 /nfs/dbraw/zinc/82/23/71/441822371.db2.gz KJMNWDLIKLQFTQ-GOSISDBHSA-N 2 1 345.491 1.202 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116549377 441828716 /nfs/dbraw/zinc/82/87/16/441828716.db2.gz MHAHFSZWTWBNHJ-HZPDHXFCSA-N 2 1 342.528 1.763 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000174453585 441926968 /nfs/dbraw/zinc/92/69/68/441926968.db2.gz SBOJHNBLCVTZHF-LSDHHAIUSA-N 2 1 337.489 1.722 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000174453585 441926971 /nfs/dbraw/zinc/92/69/71/441926971.db2.gz SBOJHNBLCVTZHF-LSDHHAIUSA-N 2 1 337.489 1.722 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000174648730 441949168 /nfs/dbraw/zinc/94/91/68/441949168.db2.gz WLXXXSHRRSYJEP-UHFFFAOYSA-N 2 1 346.519 1.652 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000174648730 441949169 /nfs/dbraw/zinc/94/91/69/441949169.db2.gz WLXXXSHRRSYJEP-UHFFFAOYSA-N 2 1 346.519 1.652 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCC(=O)OC(C)(C)C)CC1 ZINC000150872059 441965680 /nfs/dbraw/zinc/96/56/80/441965680.db2.gz WHHLYYANVWKBAO-UHFFFAOYSA-N 2 1 341.496 1.639 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCC(=O)OC(C)(C)C)CC1 ZINC000150872059 441965685 /nfs/dbraw/zinc/96/56/85/441965685.db2.gz WHHLYYANVWKBAO-UHFFFAOYSA-N 2 1 341.496 1.639 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000079077002 442017145 /nfs/dbraw/zinc/01/71/45/442017145.db2.gz VKGIELKEHVQYDG-UHFFFAOYSA-N 2 1 328.501 1.563 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC([NH+](C)CCO)CC1 ZINC000162326375 442083566 /nfs/dbraw/zinc/08/35/66/442083566.db2.gz JWRJIPDBJGGSSX-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000162326375 442083572 /nfs/dbraw/zinc/08/35/72/442083572.db2.gz JWRJIPDBJGGSSX-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000151566584 442085816 /nfs/dbraw/zinc/08/58/16/442085816.db2.gz GJPMKIXGYNBLNV-YJBOKZPZSA-N 2 1 335.492 1.763 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC1 ZINC000163183703 442149276 /nfs/dbraw/zinc/14/92/76/442149276.db2.gz QMLBRMLKJMSWQF-UHFFFAOYSA-N 2 1 330.432 1.125 20 0 EDADMP CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC1 ZINC000163183703 442149281 /nfs/dbraw/zinc/14/92/81/442149281.db2.gz QMLBRMLKJMSWQF-UHFFFAOYSA-N 2 1 330.432 1.125 20 0 EDADMP CC[NH+]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000163183703 442149285 /nfs/dbraw/zinc/14/92/85/442149285.db2.gz QMLBRMLKJMSWQF-UHFFFAOYSA-N 2 1 330.432 1.125 20 0 EDADMP CC[NH+]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000163183703 442149289 /nfs/dbraw/zinc/14/92/89/442149289.db2.gz QMLBRMLKJMSWQF-UHFFFAOYSA-N 2 1 330.432 1.125 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000162806495 442123791 /nfs/dbraw/zinc/12/37/91/442123791.db2.gz HNKPIKNKYAONTP-QZTJIDSGSA-N 2 1 333.476 1.911 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000162806495 442123794 /nfs/dbraw/zinc/12/37/94/442123794.db2.gz HNKPIKNKYAONTP-QZTJIDSGSA-N 2 1 333.476 1.911 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000126616167 442127063 /nfs/dbraw/zinc/12/70/63/442127063.db2.gz NQSBZLOUBRRWFX-INIZCTEOSA-N 2 1 342.487 1.828 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000126616167 442127067 /nfs/dbraw/zinc/12/70/67/442127067.db2.gz NQSBZLOUBRRWFX-INIZCTEOSA-N 2 1 342.487 1.828 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000126616167 442127068 /nfs/dbraw/zinc/12/70/68/442127068.db2.gz NQSBZLOUBRRWFX-INIZCTEOSA-N 2 1 342.487 1.828 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000151871413 442132155 /nfs/dbraw/zinc/13/21/55/442132155.db2.gz HRKTYOVZDITPBG-KCQAQPDRSA-N 2 1 325.478 1.728 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000151871413 442132159 /nfs/dbraw/zinc/13/21/59/442132159.db2.gz HRKTYOVZDITPBG-KCQAQPDRSA-N 2 1 325.478 1.728 20 0 EDADMP CC[C@H](C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000126387485 442105918 /nfs/dbraw/zinc/10/59/18/442105918.db2.gz ZIRVXOWVMKWEKH-RTBURBONSA-N 2 1 346.519 1.822 20 0 EDADMP CC[C@H](C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000126387485 442105924 /nfs/dbraw/zinc/10/59/24/442105924.db2.gz ZIRVXOWVMKWEKH-RTBURBONSA-N 2 1 346.519 1.822 20 0 EDADMP CC[C@H](C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000126387485 442105930 /nfs/dbraw/zinc/10/59/30/442105930.db2.gz ZIRVXOWVMKWEKH-RTBURBONSA-N 2 1 346.519 1.822 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000176147226 442182706 /nfs/dbraw/zinc/18/27/06/442182706.db2.gz PAWFVRRMQBVETG-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP COC1(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC[NH2+]CC1 ZINC000164607950 442200188 /nfs/dbraw/zinc/20/01/88/442200188.db2.gz VYJUDHXVSYINEH-UHFFFAOYSA-N 2 1 333.476 1.912 20 0 EDADMP CC[N@@H+](CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)C1CC1 ZINC000152060578 442159842 /nfs/dbraw/zinc/15/98/42/442159842.db2.gz VENFXGXRWJQYSD-UHFFFAOYSA-N 2 1 346.475 1.079 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152478815 442217546 /nfs/dbraw/zinc/21/75/46/442217546.db2.gz OAGLCYIHOAHBPN-CQSZACIVSA-N 2 1 332.448 1.388 20 0 EDADMP C[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152478815 442217549 /nfs/dbraw/zinc/21/75/49/442217549.db2.gz OAGLCYIHOAHBPN-CQSZACIVSA-N 2 1 332.448 1.388 20 0 EDADMP C[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152478815 442217551 /nfs/dbraw/zinc/21/75/51/442217551.db2.gz OAGLCYIHOAHBPN-CQSZACIVSA-N 2 1 332.448 1.388 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000171034574 442302119 /nfs/dbraw/zinc/30/21/19/442302119.db2.gz DGGZJQQVPWKXKD-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000171034574 442302123 /nfs/dbraw/zinc/30/21/23/442302123.db2.gz DGGZJQQVPWKXKD-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000171034574 442302124 /nfs/dbraw/zinc/30/21/24/442302124.db2.gz DGGZJQQVPWKXKD-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2C[NH+]3CCCC[C@@H]3CO2)C1 ZINC000153027728 442257271 /nfs/dbraw/zinc/25/72/71/442257271.db2.gz JVBCBEPABSDMEX-VQHPVUNQSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2C[NH+]3CCCC[C@@H]3CO2)C1 ZINC000153027728 442257272 /nfs/dbraw/zinc/25/72/72/442257272.db2.gz JVBCBEPABSDMEX-VQHPVUNQSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)C1 ZINC000153027728 442257274 /nfs/dbraw/zinc/25/72/74/442257274.db2.gz JVBCBEPABSDMEX-VQHPVUNQSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)C1 ZINC000153027728 442257276 /nfs/dbraw/zinc/25/72/76/442257276.db2.gz JVBCBEPABSDMEX-VQHPVUNQSA-N 2 1 338.496 1.268 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000177327738 442329054 /nfs/dbraw/zinc/32/90/54/442329054.db2.gz YPUOYCKVABACDV-MSOLQXFVSA-N 2 1 336.524 1.534 20 0 EDADMP COC(=O)c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000177376066 442333577 /nfs/dbraw/zinc/33/35/77/442333577.db2.gz ACIIQLRBFFOQOW-UHFFFAOYSA-N 2 1 333.476 1.931 20 0 EDADMP COC(=O)c1cccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000177379173 442333696 /nfs/dbraw/zinc/33/36/96/442333696.db2.gz ZZXCWWMFPCJGPI-UHFFFAOYSA-N 2 1 333.476 1.931 20 0 EDADMP C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000177903310 442394509 /nfs/dbraw/zinc/39/45/09/442394509.db2.gz YGHAPFYWCVDUNK-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000177903310 442394511 /nfs/dbraw/zinc/39/45/11/442394511.db2.gz YGHAPFYWCVDUNK-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000177579374 442359363 /nfs/dbraw/zinc/35/93/63/442359363.db2.gz AIXALRKUYSORCE-QRVBRYPASA-N 2 1 345.487 1.876 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000177579374 442359365 /nfs/dbraw/zinc/35/93/65/442359365.db2.gz AIXALRKUYSORCE-QRVBRYPASA-N 2 1 345.487 1.876 20 0 EDADMP COC[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000178701405 442458029 /nfs/dbraw/zinc/45/80/29/442458029.db2.gz YVMAHYOGESNXRY-HDICACEKSA-N 2 1 328.497 1.720 20 0 EDADMP COC[C@@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@H](COC)C2)C1 ZINC000178701405 442458031 /nfs/dbraw/zinc/45/80/31/442458031.db2.gz YVMAHYOGESNXRY-HDICACEKSA-N 2 1 328.497 1.720 20 0 EDADMP COC[C@@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@H](COC)C2)C1 ZINC000178701405 442458034 /nfs/dbraw/zinc/45/80/34/442458034.db2.gz YVMAHYOGESNXRY-HDICACEKSA-N 2 1 328.497 1.720 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000178812574 442491976 /nfs/dbraw/zinc/49/19/76/442491976.db2.gz SWVJMLXGRGQYNQ-MAUKXSAKSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000178812574 442491981 /nfs/dbraw/zinc/49/19/81/442491981.db2.gz SWVJMLXGRGQYNQ-MAUKXSAKSA-N 2 1 331.460 1.473 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CC(C)(C)[NH3+])C2)cc(OC)c1 ZINC000178842054 442500351 /nfs/dbraw/zinc/50/03/51/442500351.db2.gz LQXYWQXWFYGMPL-CQSZACIVSA-N 2 1 335.448 1.522 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)CC(C)(C)[NH3+])C2)cc(OC)c1 ZINC000178842054 442500355 /nfs/dbraw/zinc/50/03/55/442500355.db2.gz LQXYWQXWFYGMPL-CQSZACIVSA-N 2 1 335.448 1.522 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](CO)C(C)C)CC1 ZINC000156252776 442459178 /nfs/dbraw/zinc/45/91/78/442459178.db2.gz FMTLNKNPYMGJAJ-LJQANCHMSA-N 2 1 347.503 1.636 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000178889989 442515425 /nfs/dbraw/zinc/51/54/25/442515425.db2.gz ZNSNMZSJXIDSFE-DLBZAZTESA-N 2 1 330.476 1.394 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)N1CC[NH+](C)CC1 ZINC000157412373 442581289 /nfs/dbraw/zinc/58/12/89/442581289.db2.gz CCDIUBPFHRQTHS-QGZVFWFLSA-N 2 1 341.544 1.240 20 0 EDADMP C[C@H](CNC(=O)NCC[N@H+]1CCCOCC1)C[NH+]1CCCCC1 ZINC000186988784 442640935 /nfs/dbraw/zinc/64/09/35/442640935.db2.gz WVQLVJDIMPSXBF-MRXNPFEDSA-N 2 1 326.485 1.130 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000173176363 442617389 /nfs/dbraw/zinc/61/73/89/442617389.db2.gz ALYGOZZBCJRJQR-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000187411021 442675075 /nfs/dbraw/zinc/67/50/75/442675075.db2.gz BXXUSPIXBXWCOE-HZPDHXFCSA-N 2 1 340.512 1.253 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187411021 442675078 /nfs/dbraw/zinc/67/50/78/442675078.db2.gz BXXUSPIXBXWCOE-HZPDHXFCSA-N 2 1 340.512 1.253 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187411021 442675080 /nfs/dbraw/zinc/67/50/80/442675080.db2.gz BXXUSPIXBXWCOE-HZPDHXFCSA-N 2 1 340.512 1.253 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000187888620 442697017 /nfs/dbraw/zinc/69/70/17/442697017.db2.gz QQYDBRLHZALERC-GLQYFDAESA-N 2 1 325.840 1.436 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC000187931600 442698397 /nfs/dbraw/zinc/69/83/97/442698397.db2.gz MDICCLPGKGIAIW-DZGCQCFKSA-N 2 1 332.379 1.313 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000188068166 442707686 /nfs/dbraw/zinc/70/76/86/442707686.db2.gz SJQAIQVWBHKRJX-JTDSTZFVSA-N 2 1 345.487 1.769 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188060804 442706679 /nfs/dbraw/zinc/70/66/79/442706679.db2.gz SQKIAFDZEKQLPQ-CRAIPNDOSA-N 2 1 331.460 1.666 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000193437538 442742534 /nfs/dbraw/zinc/74/25/34/442742534.db2.gz YGZYRYFLDHJMSU-ZWKOTPCHSA-N 2 1 327.428 1.677 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000193437538 442742537 /nfs/dbraw/zinc/74/25/37/442742537.db2.gz YGZYRYFLDHJMSU-ZWKOTPCHSA-N 2 1 327.428 1.677 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000188562655 442763883 /nfs/dbraw/zinc/76/38/83/442763883.db2.gz BSDBJTIKMBTFTK-KRWDZBQOSA-N 2 1 341.544 1.242 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000189139575 442884606 /nfs/dbraw/zinc/88/46/06/442884606.db2.gz ZIVARMYZHIHUFZ-OAGGEKHMSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248575269 442902767 /nfs/dbraw/zinc/90/27/67/442902767.db2.gz NDVCEAWBTRQLQD-YYIAUSFCSA-N 2 1 337.508 1.865 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248575269 442902770 /nfs/dbraw/zinc/90/27/70/442902770.db2.gz NDVCEAWBTRQLQD-YYIAUSFCSA-N 2 1 337.508 1.865 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000248999716 442943936 /nfs/dbraw/zinc/94/39/36/442943936.db2.gz OJZHNRGWGCAQIB-RCCFBDPRSA-N 2 1 348.466 1.181 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000248999716 442943941 /nfs/dbraw/zinc/94/39/41/442943941.db2.gz OJZHNRGWGCAQIB-RCCFBDPRSA-N 2 1 348.466 1.181 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000248999716 442943944 /nfs/dbraw/zinc/94/39/44/442943944.db2.gz OJZHNRGWGCAQIB-RCCFBDPRSA-N 2 1 348.466 1.181 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194841898 442960010 /nfs/dbraw/zinc/96/00/10/442960010.db2.gz DIYDQXVAKBLIKU-HRCADAONSA-N 2 1 328.501 1.467 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194841898 442960015 /nfs/dbraw/zinc/96/00/15/442960015.db2.gz DIYDQXVAKBLIKU-HRCADAONSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000249424292 442973891 /nfs/dbraw/zinc/97/38/91/442973891.db2.gz XUCFUGYBYDAGMI-CVEARBPZSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000249424292 442973893 /nfs/dbraw/zinc/97/38/93/442973893.db2.gz XUCFUGYBYDAGMI-CVEARBPZSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000195130051 442987456 /nfs/dbraw/zinc/98/74/56/442987456.db2.gz ZPZPYIIYPOKYFL-QAPCUYQASA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000195130051 442987458 /nfs/dbraw/zinc/98/74/58/442987458.db2.gz ZPZPYIIYPOKYFL-QAPCUYQASA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000195130051 442987459 /nfs/dbraw/zinc/98/74/59/442987459.db2.gz ZPZPYIIYPOKYFL-QAPCUYQASA-N 2 1 330.476 1.827 20 0 EDADMP CCS(=O)(=O)CCCCC[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000190541145 443131955 /nfs/dbraw/zinc/13/19/55/443131955.db2.gz VTFHUTVQRYSWBS-KRWDZBQOSA-N 2 1 346.537 1.636 20 0 EDADMP CCS(=O)(=O)CCCCCN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000190541145 443131957 /nfs/dbraw/zinc/13/19/57/443131957.db2.gz VTFHUTVQRYSWBS-KRWDZBQOSA-N 2 1 346.537 1.636 20 0 EDADMP Cc1nc(C)c(C)c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1 ZINC000255961368 443114883 /nfs/dbraw/zinc/11/48/83/443114883.db2.gz DNGJQQKEHLYHOP-SFHVURJKSA-N 2 1 347.507 1.633 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000237214259 443164322 /nfs/dbraw/zinc/16/43/22/443164322.db2.gz YVJUKHVYQSYULY-QZTJIDSGSA-N 2 1 330.476 1.291 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261686444 443164919 /nfs/dbraw/zinc/16/49/19/443164919.db2.gz ISLYQFGCFHZVBV-BJJXKVORSA-N 2 1 330.432 1.037 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261686444 443164925 /nfs/dbraw/zinc/16/49/25/443164925.db2.gz ISLYQFGCFHZVBV-BJJXKVORSA-N 2 1 330.432 1.037 20 0 EDADMP c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261997055 443179462 /nfs/dbraw/zinc/17/94/62/443179462.db2.gz UDSSSRQFBWRORZ-RCCFBDPRSA-N 2 1 330.476 1.929 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185498542 443208726 /nfs/dbraw/zinc/20/87/26/443208726.db2.gz IRTVMSONPGPMCI-UHFFFAOYSA-N 2 1 341.544 1.434 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000185498542 443208729 /nfs/dbraw/zinc/20/87/29/443208729.db2.gz IRTVMSONPGPMCI-UHFFFAOYSA-N 2 1 341.544 1.434 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000185498542 443208732 /nfs/dbraw/zinc/20/87/32/443208732.db2.gz IRTVMSONPGPMCI-UHFFFAOYSA-N 2 1 341.544 1.434 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262899234 443216890 /nfs/dbraw/zinc/21/68/90/443216890.db2.gz PITCDUWHQHRJIE-NJAFHUGGSA-N 2 1 333.476 1.862 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCOC)[C@@H]2CCC[C@@H]2C)CC1 ZINC000411628653 319191094 /nfs/dbraw/zinc/19/10/94/319191094.db2.gz WZEZBJOIEFXGOD-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000411645934 319191502 /nfs/dbraw/zinc/19/15/02/319191502.db2.gz LSRIYJRFHMIRSO-NVXWUHKLSA-N 2 1 325.497 1.458 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)CC1 ZINC000411645938 319191580 /nfs/dbraw/zinc/19/15/80/319191580.db2.gz LSRIYJRFHMIRSO-WBVHZDCISA-N 2 1 325.497 1.458 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000412680177 319239247 /nfs/dbraw/zinc/23/92/47/319239247.db2.gz YOGOVESIDBPANB-CEXWTWQISA-N 2 1 345.487 1.734 20 0 EDADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000412680177 319239249 /nfs/dbraw/zinc/23/92/49/319239249.db2.gz YOGOVESIDBPANB-CEXWTWQISA-N 2 1 345.487 1.734 20 0 EDADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000412680177 319239250 /nfs/dbraw/zinc/23/92/50/319239250.db2.gz YOGOVESIDBPANB-CEXWTWQISA-N 2 1 345.487 1.734 20 0 EDADMP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000413935571 319304952 /nfs/dbraw/zinc/30/49/52/319304952.db2.gz DTMQFPDLGCGERE-DZGCQCFKSA-N 2 1 335.448 1.772 20 0 EDADMP CC(C)C[C@H]([NH2+][C@H](C)c1cc2n(n1)CCC2)C(=O)NCC[NH+](C)C ZINC000414093309 319317032 /nfs/dbraw/zinc/31/70/32/319317032.db2.gz HGACDBQZWNBPIZ-PBHICJAKSA-N 2 1 335.496 1.572 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415256895 319357528 /nfs/dbraw/zinc/35/75/28/319357528.db2.gz PHHPVSNVFUOLSS-CQSZACIVSA-N 2 1 332.448 1.287 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@@H]1C ZINC000415939103 319383900 /nfs/dbraw/zinc/38/39/00/319383900.db2.gz QFPOYKGLQWILMY-AWEZNQCLSA-N 2 1 336.436 1.209 20 0 EDADMP COCC[N@H+]1CCN(C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@@H]1C ZINC000415939103 319383903 /nfs/dbraw/zinc/38/39/03/319383903.db2.gz QFPOYKGLQWILMY-AWEZNQCLSA-N 2 1 336.436 1.209 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000266863872 443271229 /nfs/dbraw/zinc/27/12/29/443271229.db2.gz VGBQGVOYLHHIMM-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000266863872 443271231 /nfs/dbraw/zinc/27/12/31/443271231.db2.gz VGBQGVOYLHHIMM-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000266863872 443271235 /nfs/dbraw/zinc/27/12/35/443271235.db2.gz VGBQGVOYLHHIMM-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000266863872 443271237 /nfs/dbraw/zinc/27/12/37/443271237.db2.gz VGBQGVOYLHHIMM-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1 ZINC000415984542 319387167 /nfs/dbraw/zinc/38/71/67/319387167.db2.gz PUKITVBAGKACFR-UHFFFAOYSA-N 2 1 335.496 1.753 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)N(C)CCCN(C)CC[NH+](C)C)cc1 ZINC000415984542 319387168 /nfs/dbraw/zinc/38/71/68/319387168.db2.gz PUKITVBAGKACFR-UHFFFAOYSA-N 2 1 335.496 1.753 20 0 EDADMP CCC[C@@H]1CN(C(=O)Nc2ncccc2C[NH3+])CC[N@H+]1CCOC ZINC000415985765 319387199 /nfs/dbraw/zinc/38/71/99/319387199.db2.gz GGITVPRREXGNLN-OAHLLOKOSA-N 2 1 335.452 1.505 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000246167919 443274559 /nfs/dbraw/zinc/27/45/59/443274559.db2.gz LBLSAAFROLZKNF-IRXDYDNUSA-N 2 1 341.544 1.290 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000246167919 443274561 /nfs/dbraw/zinc/27/45/61/443274561.db2.gz LBLSAAFROLZKNF-IRXDYDNUSA-N 2 1 341.544 1.290 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000246167919 443274565 /nfs/dbraw/zinc/27/45/65/443274565.db2.gz LBLSAAFROLZKNF-IRXDYDNUSA-N 2 1 341.544 1.290 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269308589 443276435 /nfs/dbraw/zinc/27/64/35/443276435.db2.gz VBOIKGYKPVZZQP-KRWDZBQOSA-N 2 1 332.448 1.146 20 0 EDADMP C[NH+](C)C/C=C/C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000266887669 443279645 /nfs/dbraw/zinc/27/96/45/443279645.db2.gz CNGSBMHLWBFJEQ-VMPITWQZSA-N 2 1 344.459 1.059 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000269280028 443265343 /nfs/dbraw/zinc/26/53/43/443265343.db2.gz DWIKYIWFTRGEAH-HXUWFJFHSA-N 2 1 344.503 1.440 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@H]3CCSC3)cc2)CC1 ZINC000278396710 443318685 /nfs/dbraw/zinc/31/86/85/443318685.db2.gz NDPLUHGFNNVABQ-MRXNPFEDSA-N 2 1 333.501 1.917 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC(C)(C)O ZINC000267174553 443368283 /nfs/dbraw/zinc/36/82/83/443368283.db2.gz VXEYUQHKMJXIPV-WBVHZDCISA-N 2 1 333.476 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)O ZINC000267174553 443368286 /nfs/dbraw/zinc/36/82/86/443368286.db2.gz VXEYUQHKMJXIPV-WBVHZDCISA-N 2 1 333.476 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)O ZINC000267174553 443368291 /nfs/dbraw/zinc/36/82/91/443368291.db2.gz VXEYUQHKMJXIPV-WBVHZDCISA-N 2 1 333.476 1.468 20 0 EDADMP COc1ccc([C@@H](NCCC[NH+]2CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422728225 319733847 /nfs/dbraw/zinc/73/38/47/319733847.db2.gz FOJIHETVTYRPIT-RTBURBONSA-N 2 1 333.476 1.800 20 0 EDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000423049136 319749419 /nfs/dbraw/zinc/74/94/19/319749419.db2.gz JDVCRMHTZHAHDE-UONOGXRCSA-N 2 1 327.425 1.335 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1=CC[NH+](C)CC1 ZINC000273029582 443524111 /nfs/dbraw/zinc/52/41/11/443524111.db2.gz UTRWBYJZMIACOZ-QFBILLFUSA-N 2 1 343.471 1.654 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1=CC[NH+](C)CC1 ZINC000273029582 443524114 /nfs/dbraw/zinc/52/41/14/443524114.db2.gz UTRWBYJZMIACOZ-QFBILLFUSA-N 2 1 343.471 1.654 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)C1=CC[N@H+](C)CC1 ZINC000273029582 443524116 /nfs/dbraw/zinc/52/41/16/443524116.db2.gz UTRWBYJZMIACOZ-QFBILLFUSA-N 2 1 343.471 1.654 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)C1=CC[N@@H+](C)CC1 ZINC000273029582 443524118 /nfs/dbraw/zinc/52/41/18/443524118.db2.gz UTRWBYJZMIACOZ-QFBILLFUSA-N 2 1 343.471 1.654 20 0 EDADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H]1OCCc2ccccc21 ZINC000283346365 443608634 /nfs/dbraw/zinc/60/86/34/443608634.db2.gz BCYWPROXCFAAHZ-SFHVURJKSA-N 2 1 331.460 1.396 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H]1OCCc2ccccc21 ZINC000283346365 443608636 /nfs/dbraw/zinc/60/86/36/443608636.db2.gz BCYWPROXCFAAHZ-SFHVURJKSA-N 2 1 331.460 1.396 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2cn3cc(C)ccc3n2)[N@@H+](C)C1 ZINC000286113610 443648446 /nfs/dbraw/zinc/64/84/46/443648446.db2.gz JCMPNCJWJCPRAA-HOTGVXAUSA-N 2 1 345.447 1.503 20 0 EDADMP COC(=O)COC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000449063981 320177048 /nfs/dbraw/zinc/17/70/48/320177048.db2.gz SFORVYMZKDVXQF-HNNXBMFYSA-N 2 1 336.432 1.187 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C)CC(C)C ZINC000457596739 320329947 /nfs/dbraw/zinc/32/99/47/320329947.db2.gz BTUFJIBLSXMSGU-IRXDYDNUSA-N 2 1 342.528 1.451 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)CC(C)C ZINC000457596739 320329948 /nfs/dbraw/zinc/32/99/48/320329948.db2.gz BTUFJIBLSXMSGU-IRXDYDNUSA-N 2 1 342.528 1.451 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)c1 ZINC000457771305 320335638 /nfs/dbraw/zinc/33/56/38/320335638.db2.gz IISOXGRRECPYSI-GOSISDBHSA-N 2 1 348.491 1.394 20 0 EDADMP Cn1ccc(/C=C/C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000492942945 320391335 /nfs/dbraw/zinc/39/13/35/320391335.db2.gz AZXYLKFOXKSKKC-ONEGZZNKSA-N 2 1 325.416 1.824 20 0 EDADMP O=C(C[NH2+][C@H]1CCC[C@H]1CCO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000286272531 443680970 /nfs/dbraw/zinc/68/09/70/443680970.db2.gz UDWVHWHJOLAVQB-OALUTQOASA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000285004460 443817672 /nfs/dbraw/zinc/81/76/72/443817672.db2.gz HDSMOMFIMPDILM-INIZCTEOSA-N 2 1 337.414 1.918 20 0 EDADMP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000285004460 443817675 /nfs/dbraw/zinc/81/76/75/443817675.db2.gz HDSMOMFIMPDILM-INIZCTEOSA-N 2 1 337.414 1.918 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000293013017 443902259 /nfs/dbraw/zinc/90/22/59/443902259.db2.gz HPXWJDZHKUEVQY-MOPGFXCFSA-N 2 1 335.467 1.441 20 0 EDADMP Cc1cccn2c(=O)cc(CN3CC[C@@]4(C3)CCC[N@H+](C)C4)nc12 ZINC000293117294 443928823 /nfs/dbraw/zinc/92/88/23/443928823.db2.gz YWWDVFORBHIDCN-IBGZPJMESA-N 2 1 326.444 1.921 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnc3n2CCCC3)CC1 ZINC000551460833 320915194 /nfs/dbraw/zinc/91/51/94/320915194.db2.gz TYNCJOWIXHWYLR-UHFFFAOYSA-N 2 1 340.431 1.619 20 0 EDADMP C[C@@H](NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1cccs1 ZINC000289169487 444068133 /nfs/dbraw/zinc/06/81/33/444068133.db2.gz FFURUORGTKFJHI-OAHLLOKOSA-N 2 1 340.537 1.741 20 0 EDADMP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000299572571 444082360 /nfs/dbraw/zinc/08/23/60/444082360.db2.gz AZSSLKPZKMIYLD-SFHVURJKSA-N 2 1 344.503 1.357 20 0 EDADMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000299572571 444082365 /nfs/dbraw/zinc/08/23/65/444082365.db2.gz AZSSLKPZKMIYLD-SFHVURJKSA-N 2 1 344.503 1.357 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000299473439 444056121 /nfs/dbraw/zinc/05/61/21/444056121.db2.gz YQPLYHDZSLRDHV-NEWSRXKRSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000299473439 444056125 /nfs/dbraw/zinc/05/61/25/444056125.db2.gz YQPLYHDZSLRDHV-NEWSRXKRSA-N 2 1 345.487 1.782 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000299482694 444058759 /nfs/dbraw/zinc/05/87/59/444058759.db2.gz DCWJVRNBPPFCQM-SFHVURJKSA-N 2 1 330.476 1.015 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)NCCCCN2CC[NH+](C)CC2)c1 ZINC000562770796 321076234 /nfs/dbraw/zinc/07/62/34/321076234.db2.gz OBSRPEVEHUVBAQ-UHFFFAOYSA-N 2 1 347.507 1.945 20 0 EDADMP CCCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1CC[NH2+]C1 ZINC000563099954 321095437 /nfs/dbraw/zinc/09/54/37/321095437.db2.gz ILJAGAYUJHVMMU-MSOLQXFVSA-N 2 1 330.476 1.894 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000563212493 321100794 /nfs/dbraw/zinc/10/07/94/321100794.db2.gz XXZOILCUBVDUCP-GJZGRUSLSA-N 2 1 335.477 1.172 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000563212493 321100795 /nfs/dbraw/zinc/10/07/95/321100795.db2.gz XXZOILCUBVDUCP-GJZGRUSLSA-N 2 1 335.477 1.172 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000563886023 321114501 /nfs/dbraw/zinc/11/45/01/321114501.db2.gz ZYVAIZPVYVSPQL-DLBZAZTESA-N 2 1 346.475 1.170 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@H](C)C1 ZINC000563961334 321118164 /nfs/dbraw/zinc/11/81/64/321118164.db2.gz ZOOFNJGWOFCQBC-NZSAHSFTSA-N 2 1 347.503 1.810 20 0 EDADMP CCn1nnc(C)c1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000564409418 321129766 /nfs/dbraw/zinc/12/97/66/321129766.db2.gz TXQAFLPDIQRMDW-INIZCTEOSA-N 2 1 348.520 1.746 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COCc2ccccc2)CCCO1 ZINC000564863304 321152889 /nfs/dbraw/zinc/15/28/89/321152889.db2.gz IKYKFVVJCRQRCH-PKOBYXMFSA-N 2 1 336.476 1.655 20 0 EDADMP CC[C@@H](CCO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000566440468 321230630 /nfs/dbraw/zinc/23/06/30/321230630.db2.gz INRVFLDDDHJAHU-INIZCTEOSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000568231759 321283539 /nfs/dbraw/zinc/28/35/39/321283539.db2.gz JNQOWQKVBCDAQX-AHCXZYCDSA-N 2 1 330.476 1.947 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000568288024 321286078 /nfs/dbraw/zinc/28/60/78/321286078.db2.gz SBQJQAGSQMTFKZ-LJQANCHMSA-N 2 1 344.503 1.944 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NCCC[NH2+]C(C)C)[NH+](C)C ZINC000568608789 321298813 /nfs/dbraw/zinc/29/88/13/321298813.db2.gz HIAOCTXZUHSWAB-INIZCTEOSA-N 2 1 336.480 1.985 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC3(CO)CC3)CC2)CC1 ZINC000568881216 321309679 /nfs/dbraw/zinc/30/96/79/321309679.db2.gz MJVOBCHEJGVMGN-UHFFFAOYSA-N 2 1 337.508 1.462 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000569001240 321314257 /nfs/dbraw/zinc/31/42/57/321314257.db2.gz YXSWUWSKOHFYNB-VQIMIIECSA-N 2 1 331.460 1.081 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000569001240 321314258 /nfs/dbraw/zinc/31/42/58/321314258.db2.gz YXSWUWSKOHFYNB-VQIMIIECSA-N 2 1 331.460 1.081 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000569001240 321314260 /nfs/dbraw/zinc/31/42/60/321314260.db2.gz YXSWUWSKOHFYNB-VQIMIIECSA-N 2 1 331.460 1.081 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000569927877 321332257 /nfs/dbraw/zinc/33/22/57/321332257.db2.gz OQVIIXCCVBISDG-RBSFLKMASA-N 2 1 340.512 1.245 20 0 EDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)NC1CC[NH2+]CC1 ZINC000570066355 321336245 /nfs/dbraw/zinc/33/62/45/321336245.db2.gz MYHDTPDDKAMSKC-SFHVURJKSA-N 2 1 346.475 1.329 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[NH+]1CCOCC1 ZINC000570546800 321346988 /nfs/dbraw/zinc/34/69/88/321346988.db2.gz FGIOHRSTTHCTES-ZACQAIPSSA-N 2 1 338.496 1.127 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(O)c(F)c2)CC1 ZINC000570896887 321362038 /nfs/dbraw/zinc/36/20/38/321362038.db2.gz CKKVLITWRVQIQS-UHFFFAOYSA-N 2 1 344.390 1.859 20 0 EDADMP c1ncn(CCN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000285854726 444130244 /nfs/dbraw/zinc/13/02/44/444130244.db2.gz IGVCJVNUWIPFIM-IBGZPJMESA-N 2 1 340.475 1.170 20 0 EDADMP c1ncn(CC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000285854726 444130248 /nfs/dbraw/zinc/13/02/48/444130248.db2.gz IGVCJVNUWIPFIM-IBGZPJMESA-N 2 1 340.475 1.170 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000285987596 444170072 /nfs/dbraw/zinc/17/00/72/444170072.db2.gz NIEGDASLJOQRJQ-GOEBONIOSA-N 2 1 349.479 1.029 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000285987596 444170076 /nfs/dbraw/zinc/17/00/76/444170076.db2.gz NIEGDASLJOQRJQ-GOEBONIOSA-N 2 1 349.479 1.029 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000289388788 444126954 /nfs/dbraw/zinc/12/69/54/444126954.db2.gz MGJDJZZWMNPWKD-UHFFFAOYSA-N 2 1 328.460 1.963 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000289388788 444126957 /nfs/dbraw/zinc/12/69/57/444126957.db2.gz MGJDJZZWMNPWKD-UHFFFAOYSA-N 2 1 328.460 1.963 20 0 EDADMP NC(=O)c1c[nH+]ccc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000302147214 444206474 /nfs/dbraw/zinc/20/64/74/444206474.db2.gz JZHLEPXUBSOXRK-OAHLLOKOSA-N 2 1 326.400 1.359 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000296219154 444212887 /nfs/dbraw/zinc/21/28/87/444212887.db2.gz BWEXSAVEVWTLLV-CJNGLKHVSA-N 2 1 332.448 1.463 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000296219154 444212890 /nfs/dbraw/zinc/21/28/90/444212890.db2.gz BWEXSAVEVWTLLV-CJNGLKHVSA-N 2 1 332.448 1.463 20 0 EDADMP CN(CCC[N@@H+](C)CCn1cnc2ccccc2c1=O)CC[NH+](C)C ZINC000289563027 444172520 /nfs/dbraw/zinc/17/25/20/444172520.db2.gz XYWKFIKERGNPOL-UHFFFAOYSA-N 2 1 345.491 1.212 20 0 EDADMP NC(=O)c1c[nH+]ccc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000302903034 444230567 /nfs/dbraw/zinc/23/05/67/444230567.db2.gz UJRDZNNYDLEKIU-MRXNPFEDSA-N 2 1 340.427 1.749 20 0 EDADMP NC(=O)c1c[nH+]ccc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000302903030 444230784 /nfs/dbraw/zinc/23/07/84/444230784.db2.gz UJRDZNNYDLEKIU-INIZCTEOSA-N 2 1 340.427 1.749 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000304171247 444242548 /nfs/dbraw/zinc/24/25/48/444242548.db2.gz RIDNIODJRLWJHQ-MOPGFXCFSA-N 2 1 347.503 1.447 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000304171247 444242551 /nfs/dbraw/zinc/24/25/51/444242551.db2.gz RIDNIODJRLWJHQ-MOPGFXCFSA-N 2 1 347.503 1.447 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305766533 444279210 /nfs/dbraw/zinc/27/92/10/444279210.db2.gz RWWJYSZGUOPODF-PSBWJHGTSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305766533 444279212 /nfs/dbraw/zinc/27/92/12/444279212.db2.gz RWWJYSZGUOPODF-PSBWJHGTSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C)[C@H](O)C1 ZINC000305766533 444279213 /nfs/dbraw/zinc/27/92/13/444279213.db2.gz RWWJYSZGUOPODF-PSBWJHGTSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C)[C@H](O)C1 ZINC000305766533 444279214 /nfs/dbraw/zinc/27/92/14/444279214.db2.gz RWWJYSZGUOPODF-PSBWJHGTSA-N 2 1 345.487 1.468 20 0 EDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000290796305 444324460 /nfs/dbraw/zinc/32/44/60/444324460.db2.gz VCIJFYCCKHEGMP-QGZVFWFLSA-N 2 1 335.473 1.563 20 0 EDADMP COCC1(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000311100695 444292668 /nfs/dbraw/zinc/29/26/68/444292668.db2.gz KCSBCMDDJMWXME-GOSISDBHSA-N 2 1 345.487 1.736 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000324446792 444355124 /nfs/dbraw/zinc/35/51/24/444355124.db2.gz CTGUNLFVYIZJJZ-PBHICJAKSA-N 2 1 328.460 1.884 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H](C)C1 ZINC000340114955 444362311 /nfs/dbraw/zinc/36/23/11/444362311.db2.gz VAYPBKPISNMFTM-NXOAAHMSSA-N 2 1 325.497 1.757 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000331026364 444364241 /nfs/dbraw/zinc/36/42/41/444364241.db2.gz WPTVVUAHVQZJKC-OAHLLOKOSA-N 2 1 339.505 1.758 20 0 EDADMP O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000329166159 444489772 /nfs/dbraw/zinc/48/97/72/444489772.db2.gz HXQMGYJTAASHCH-RRFJBIMHSA-N 2 1 327.494 1.159 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000338048501 444499278 /nfs/dbraw/zinc/49/92/78/444499278.db2.gz FIFMWBMJMLYOCY-HKUYNNGSSA-N 2 1 338.540 1.641 20 0 EDADMP C[N@H+]1CC[C@](O)(CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000580873129 322105867 /nfs/dbraw/zinc/10/58/67/322105867.db2.gz QDJGWJCXJWLPKK-HAGHYFMRSA-N 2 1 329.488 1.838 20 0 EDADMP C[NH+]1CC[C@](O)(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000580873129 322105869 /nfs/dbraw/zinc/10/58/69/322105869.db2.gz QDJGWJCXJWLPKK-HAGHYFMRSA-N 2 1 329.488 1.838 20 0 EDADMP C[NH+]1CC[C@](O)(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000580873129 322105871 /nfs/dbraw/zinc/10/58/71/322105871.db2.gz QDJGWJCXJWLPKK-HAGHYFMRSA-N 2 1 329.488 1.838 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)[C@H]2CCC[C@@H]21 ZINC000580908331 322111313 /nfs/dbraw/zinc/11/13/13/322111313.db2.gz IOONCURCKOEPJN-IKGGRYGDSA-N 2 1 334.485 1.979 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000581009615 322124248 /nfs/dbraw/zinc/12/42/48/322124248.db2.gz FNUFWWSVLHBKRY-SFHVURJKSA-N 2 1 330.476 1.394 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000581015246 322125225 /nfs/dbraw/zinc/12/52/25/322125225.db2.gz JTICOWFRTOUYCC-AWEZNQCLSA-N 2 1 331.254 1.730 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000581015246 322125227 /nfs/dbraw/zinc/12/52/27/322125227.db2.gz JTICOWFRTOUYCC-AWEZNQCLSA-N 2 1 331.254 1.730 20 0 EDADMP C[C@H]1CC2(C[N@H+]1CCn1cnc3ccccc3c1=O)CC[NH2+]CC2 ZINC000581185500 322146180 /nfs/dbraw/zinc/14/61/80/322146180.db2.gz QGIVMOLYMHDLTD-HNNXBMFYSA-N 2 1 326.444 1.861 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)[C@@H]2C1 ZINC000332189545 444504103 /nfs/dbraw/zinc/50/41/03/444504103.db2.gz XLAOYFLDLPCJAC-IKGGRYGDSA-N 2 1 331.460 1.644 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)CC2 ZINC000581888885 322229467 /nfs/dbraw/zinc/22/94/67/322229467.db2.gz XTCMRODIVIPHSA-HOCLYGCPSA-N 2 1 334.464 1.371 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000581888885 322229468 /nfs/dbraw/zinc/22/94/68/322229468.db2.gz XTCMRODIVIPHSA-HOCLYGCPSA-N 2 1 334.464 1.371 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000581948491 322237179 /nfs/dbraw/zinc/23/71/79/322237179.db2.gz PBJCXKJTJHETIC-IFXJQAMLSA-N 2 1 342.443 1.955 20 0 EDADMP COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)nn1 ZINC000582008551 322244742 /nfs/dbraw/zinc/24/47/42/322244742.db2.gz RAKIFDZQQWUGAJ-MRXNPFEDSA-N 2 1 341.415 1.157 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000332272829 444507293 /nfs/dbraw/zinc/50/72/93/444507293.db2.gz GWZBRHFDIYFDCA-CIRFHOKZSA-N 2 1 330.476 1.886 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342142611 444530709 /nfs/dbraw/zinc/53/07/09/444530709.db2.gz VSFVARHRLLPDME-QXAKKESOSA-N 2 1 345.487 1.899 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342142611 444530711 /nfs/dbraw/zinc/53/07/11/444530711.db2.gz VSFVARHRLLPDME-QXAKKESOSA-N 2 1 345.487 1.899 20 0 EDADMP C[C@@H]1C[N@@H+](CCC(=O)N2CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000343706729 444533537 /nfs/dbraw/zinc/53/35/37/444533537.db2.gz HIQVZOPEUKIXRM-QGZVFWFLSA-N 2 1 336.524 1.489 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC000340941644 444587633 /nfs/dbraw/zinc/58/76/33/444587633.db2.gz UHUBHHHHNYABMY-HOTGVXAUSA-N 2 1 328.501 1.517 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000340941644 444587638 /nfs/dbraw/zinc/58/76/38/444587638.db2.gz UHUBHHHHNYABMY-HOTGVXAUSA-N 2 1 328.501 1.517 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000340941644 444587642 /nfs/dbraw/zinc/58/76/42/444587642.db2.gz UHUBHHHHNYABMY-HOTGVXAUSA-N 2 1 328.501 1.517 20 0 EDADMP CC(C)OC(=O)C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338276752 444606448 /nfs/dbraw/zinc/60/64/48/444606448.db2.gz AWLARYKKDXWNGF-MRXNPFEDSA-N 2 1 339.480 1.204 20 0 EDADMP CC(C)OC(=O)C[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338276752 444606450 /nfs/dbraw/zinc/60/64/50/444606450.db2.gz AWLARYKKDXWNGF-MRXNPFEDSA-N 2 1 339.480 1.204 20 0 EDADMP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000333251701 444651089 /nfs/dbraw/zinc/65/10/89/444651089.db2.gz GYCZXCYCDUJSRN-RRFJBIMHSA-N 2 1 327.428 1.935 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000333467291 444673583 /nfs/dbraw/zinc/67/35/83/444673583.db2.gz QOZVYLMGZFPHRR-UHFFFAOYSA-N 2 1 344.463 1.827 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000333467291 444673587 /nfs/dbraw/zinc/67/35/87/444673587.db2.gz QOZVYLMGZFPHRR-UHFFFAOYSA-N 2 1 344.463 1.827 20 0 EDADMP C[C@]12CCC[N@@H+]1C[C@H](c1noc([C@H]3CCn4ccnc4C3)n1)OC2 ZINC000329672543 444674482 /nfs/dbraw/zinc/67/44/82/444674482.db2.gz NNWFHAPLNJNLTM-OGHNNQOOSA-N 2 1 329.404 1.922 20 0 EDADMP C[C@]12CCC[N@H+]1C[C@H](c1noc([C@H]3CCn4ccnc4C3)n1)OC2 ZINC000329672543 444674484 /nfs/dbraw/zinc/67/44/84/444674484.db2.gz NNWFHAPLNJNLTM-OGHNNQOOSA-N 2 1 329.404 1.922 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)cn1 ZINC000342453119 444698554 /nfs/dbraw/zinc/69/85/54/444698554.db2.gz BYOWCHGKLRGYQH-WBVHZDCISA-N 2 1 333.480 1.135 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)cn1 ZINC000342453119 444698557 /nfs/dbraw/zinc/69/85/57/444698557.db2.gz BYOWCHGKLRGYQH-WBVHZDCISA-N 2 1 333.480 1.135 20 0 EDADMP CCn1cc(C[NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC000342453119 444698561 /nfs/dbraw/zinc/69/85/61/444698561.db2.gz BYOWCHGKLRGYQH-WBVHZDCISA-N 2 1 333.480 1.135 20 0 EDADMP CCn1cc(C[NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC000342453119 444698567 /nfs/dbraw/zinc/69/85/67/444698567.db2.gz BYOWCHGKLRGYQH-WBVHZDCISA-N 2 1 333.480 1.135 20 0 EDADMP COC(=O)c1ccccc1N(C)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341179793 444712742 /nfs/dbraw/zinc/71/27/42/444712742.db2.gz YDZUBRPIRVTXSB-UHFFFAOYSA-N 2 1 347.459 1.710 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000333917242 444717757 /nfs/dbraw/zinc/71/77/57/444717757.db2.gz NRMFSBWILAVGLH-SFHVURJKSA-N 2 1 345.491 1.858 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1C ZINC000341204605 444728213 /nfs/dbraw/zinc/72/82/13/444728213.db2.gz PWMOMWYKTLZMOE-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000334027173 444751462 /nfs/dbraw/zinc/75/14/62/444751462.db2.gz HXZIGGQGFZSQDN-ZIAGYGMSSA-N 2 1 333.480 1.889 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000334043636 444758504 /nfs/dbraw/zinc/75/85/04/444758504.db2.gz PGTWTVUUAXMLCJ-ULQDDVLXSA-N 2 1 338.496 1.148 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000334043634 444758622 /nfs/dbraw/zinc/75/86/22/444758622.db2.gz PGTWTVUUAXMLCJ-BBWFWOEESA-N 2 1 338.496 1.148 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c2nccn21 ZINC000334064076 444767381 /nfs/dbraw/zinc/76/73/81/444767381.db2.gz CKUNJDMRIHAXSW-MCIONIFRSA-N 2 1 335.452 1.376 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c2nccn21 ZINC000334064076 444767382 /nfs/dbraw/zinc/76/73/82/444767382.db2.gz CKUNJDMRIHAXSW-MCIONIFRSA-N 2 1 335.452 1.376 20 0 EDADMP CN(CCC[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O)CC[NH+](C)C ZINC000344080771 444770268 /nfs/dbraw/zinc/77/02/68/444770268.db2.gz ZKMQRXFRHWPADI-IBGZPJMESA-N 2 1 346.519 1.997 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000342694591 444818500 /nfs/dbraw/zinc/81/85/00/444818500.db2.gz OFBNLRFABJXYBI-HOTGVXAUSA-N 2 1 333.432 1.048 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341463507 444845049 /nfs/dbraw/zinc/84/50/49/444845049.db2.gz PORDQFFDWHNQAE-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000342756342 444851101 /nfs/dbraw/zinc/85/11/01/444851101.db2.gz RPTHASOHZROERU-HLLBOEOZSA-N 2 1 331.460 1.635 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000342756342 444851106 /nfs/dbraw/zinc/85/11/06/444851106.db2.gz RPTHASOHZROERU-HLLBOEOZSA-N 2 1 331.460 1.635 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000338803821 444859107 /nfs/dbraw/zinc/85/91/07/444859107.db2.gz ZSYLCLRZDKSDLV-HOTGVXAUSA-N 2 1 342.528 1.904 20 0 EDADMP CC[N@H+](CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000338803821 444859111 /nfs/dbraw/zinc/85/91/11/444859111.db2.gz ZSYLCLRZDKSDLV-HOTGVXAUSA-N 2 1 342.528 1.904 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000338803821 444859116 /nfs/dbraw/zinc/85/91/16/444859116.db2.gz ZSYLCLRZDKSDLV-HOTGVXAUSA-N 2 1 342.528 1.904 20 0 EDADMP O=C(NCCNc1cc[nH+]cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000344242523 444859483 /nfs/dbraw/zinc/85/94/83/444859483.db2.gz OBQSMHMFNUPNII-GOSISDBHSA-N 2 1 338.455 1.944 20 0 EDADMP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000342954417 444964193 /nfs/dbraw/zinc/96/41/93/444964193.db2.gz BWMAGPGVWVJHCV-RTBURBONSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000342954417 444964197 /nfs/dbraw/zinc/96/41/97/444964197.db2.gz BWMAGPGVWVJHCV-RTBURBONSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000342954417 444964202 /nfs/dbraw/zinc/96/42/02/444964202.db2.gz BWMAGPGVWVJHCV-RTBURBONSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000342954417 444964206 /nfs/dbraw/zinc/96/42/06/444964206.db2.gz BWMAGPGVWVJHCV-RTBURBONSA-N 2 1 345.487 1.614 20 0 EDADMP Cc1ccc(NC(=O)C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c(C)n1 ZINC000341833629 445024522 /nfs/dbraw/zinc/02/45/22/445024522.db2.gz HRHDGJIREJKPLB-OGHNNQOOSA-N 2 1 344.459 1.826 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C2(CCO)CCOCC2)CC1 ZINC000337315926 445029546 /nfs/dbraw/zinc/02/95/46/445029546.db2.gz KGLQOXKBEZHATK-UHFFFAOYSA-N 2 1 327.513 1.266 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000339028825 444996572 /nfs/dbraw/zinc/99/65/72/444996572.db2.gz FVDFKWQNHBWNKI-LJQANCHMSA-N 2 1 347.503 1.778 20 0 EDADMP C[N@@H+](CCCNC(=O)C1(n2cccn2)CC[NH2+]CC1)C1CCCCC1 ZINC000344489390 445006349 /nfs/dbraw/zinc/00/63/49/445006349.db2.gz KAVJKKYOILKHIT-UHFFFAOYSA-N 2 1 347.507 1.733 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000341882616 445051557 /nfs/dbraw/zinc/05/15/57/445051557.db2.gz JGRAGHUZRXPPLS-DLBZAZTESA-N 2 1 325.497 1.439 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343147832 445095571 /nfs/dbraw/zinc/09/55/71/445095571.db2.gz DEEFEVKZWAVXKX-BHIYHBOVSA-N 2 1 342.487 1.328 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343147832 445095576 /nfs/dbraw/zinc/09/55/76/445095576.db2.gz DEEFEVKZWAVXKX-BHIYHBOVSA-N 2 1 342.487 1.328 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343147832 445095582 /nfs/dbraw/zinc/09/55/82/445095582.db2.gz DEEFEVKZWAVXKX-BHIYHBOVSA-N 2 1 342.487 1.328 20 0 EDADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000337479094 445098986 /nfs/dbraw/zinc/09/89/86/445098986.db2.gz ZURUFGADOGVFAK-GOSISDBHSA-N 2 1 346.519 1.775 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCCCOc3ccccc3F)C[C@H]21 ZINC000342082901 445162147 /nfs/dbraw/zinc/16/21/47/445162147.db2.gz JIABRVPSOCTVTN-BFYDXBDKSA-N 2 1 349.450 1.770 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000342096338 445169551 /nfs/dbraw/zinc/16/95/51/445169551.db2.gz HGOUVQSMZCMWMW-QLFBSQMISA-N 2 1 331.416 1.091 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000342096338 445169554 /nfs/dbraw/zinc/16/95/54/445169554.db2.gz HGOUVQSMZCMWMW-QLFBSQMISA-N 2 1 331.416 1.091 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NC(=O)NCc3ccccc3)C[C@H]21 ZINC000342111271 445177909 /nfs/dbraw/zinc/17/79/09/445177909.db2.gz UJINBJZEHOHRDO-ARFHVFGLSA-N 2 1 330.432 1.072 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NC(=O)NCc3ccccc3)C[C@H]21 ZINC000342111271 445177911 /nfs/dbraw/zinc/17/79/11/445177911.db2.gz UJINBJZEHOHRDO-ARFHVFGLSA-N 2 1 330.432 1.072 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1 ZINC000342115752 445181312 /nfs/dbraw/zinc/18/13/12/445181312.db2.gz NMUCJXHETFAXCB-GPMSIDNRSA-N 2 1 345.487 1.721 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1 ZINC000342115752 445181316 /nfs/dbraw/zinc/18/13/16/445181316.db2.gz NMUCJXHETFAXCB-GPMSIDNRSA-N 2 1 345.487 1.721 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000342115752 445181321 /nfs/dbraw/zinc/18/13/21/445181321.db2.gz NMUCJXHETFAXCB-GPMSIDNRSA-N 2 1 345.487 1.721 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000342115752 445181322 /nfs/dbraw/zinc/18/13/22/445181322.db2.gz NMUCJXHETFAXCB-GPMSIDNRSA-N 2 1 345.487 1.721 20 0 EDADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C[C@@H](C)O1 ZINC000343243958 445157019 /nfs/dbraw/zinc/15/70/19/445157019.db2.gz GNTBGYCVKSPCBK-UJWQCDCRSA-N 3 1 339.524 1.623 20 0 EDADMP CC(=O)c1c[nH]c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000619177334 450422253 /nfs/dbraw/zinc/42/22/53/450422253.db2.gz SLUIKDOQPRFMSR-UHFFFAOYSA-N 2 1 327.388 1.616 20 0 EDADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)N1CCOCC1 ZINC000343248968 445160410 /nfs/dbraw/zinc/16/04/10/445160410.db2.gz AMJYBOLQORYITL-TVFCKZIOSA-N 2 1 325.497 1.090 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NCC1=CC[N@H+](C)CC1)[NH+](C)C ZINC000343348433 445207241 /nfs/dbraw/zinc/20/72/41/445207241.db2.gz XXPCWVUOXOBWOC-KRWDZBQOSA-N 2 1 346.475 1.859 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)[NH+](C)C ZINC000343348433 445207243 /nfs/dbraw/zinc/20/72/43/445207243.db2.gz XXPCWVUOXOBWOC-KRWDZBQOSA-N 2 1 346.475 1.859 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[NH+]2CCC(C)CC2)[N@@H+](C)C1 ZINC000346236817 445209081 /nfs/dbraw/zinc/20/90/81/445209081.db2.gz MHMGKINWPVQHGQ-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000343439708 445222892 /nfs/dbraw/zinc/22/28/92/445222892.db2.gz FUOFNZCEBUVMQR-RHSMWYFYSA-N 2 1 349.450 1.999 20 0 EDADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000343439708 445222894 /nfs/dbraw/zinc/22/28/94/445222894.db2.gz FUOFNZCEBUVMQR-RHSMWYFYSA-N 2 1 349.450 1.999 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000346964293 445228884 /nfs/dbraw/zinc/22/88/84/445228884.db2.gz NJNHMZFKRJJRKE-OAHLLOKOSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000347076879 445230930 /nfs/dbraw/zinc/23/09/30/445230930.db2.gz CUFDVBOBRVWYLA-SJLPKXTDSA-N 2 1 333.476 1.074 20 0 EDADMP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000347076879 445230932 /nfs/dbraw/zinc/23/09/32/445230932.db2.gz CUFDVBOBRVWYLA-SJLPKXTDSA-N 2 1 333.476 1.074 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C[C@@H]1CC ZINC000347521595 445240852 /nfs/dbraw/zinc/24/08/52/445240852.db2.gz JRPSEPWPVCNLJG-SFHVURJKSA-N 2 1 331.460 1.863 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C[C@@H]1CC ZINC000347521595 445240854 /nfs/dbraw/zinc/24/08/54/445240854.db2.gz JRPSEPWPVCNLJG-SFHVURJKSA-N 2 1 331.460 1.863 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[N@@H+](C)C1 ZINC000347542814 445242139 /nfs/dbraw/zinc/24/21/39/445242139.db2.gz MOXHEDWQMCYZBH-RBSFLKMASA-N 2 1 328.501 1.323 20 0 EDADMP Cn1nccc1[C@H]1OCC[C@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000343575123 445247421 /nfs/dbraw/zinc/24/74/21/445247421.db2.gz HYIKVYWKTWSKFB-YJBOKZPZSA-N 2 1 336.480 1.276 20 0 EDADMP Cn1nccc1[C@H]1OCC[C@H]1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000343575123 445247424 /nfs/dbraw/zinc/24/74/24/445247424.db2.gz HYIKVYWKTWSKFB-YJBOKZPZSA-N 2 1 336.480 1.276 20 0 EDADMP COC(=O)CN(C)C(=O)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347951986 445258091 /nfs/dbraw/zinc/25/80/91/445258091.db2.gz JMISKOYNQSQSHY-GJZGRUSLSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@](C)(O)C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348330919 445259561 /nfs/dbraw/zinc/25/95/61/445259561.db2.gz ZEAXUTKXXGFDQJ-JENIJYKNSA-N 2 1 332.444 1.364 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1)C1CC1 ZINC000348123220 445280975 /nfs/dbraw/zinc/28/09/75/445280975.db2.gz DGFFEJVZELZVPV-IRXDYDNUSA-N 2 1 338.496 1.365 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1cnn(C)c1 ZINC000348123482 445281240 /nfs/dbraw/zinc/28/12/40/445281240.db2.gz SESWSROIPFYQNA-MSOLQXFVSA-N 2 1 348.470 1.860 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1cnn(C)c1 ZINC000348123482 445281242 /nfs/dbraw/zinc/28/12/42/445281242.db2.gz SESWSROIPFYQNA-MSOLQXFVSA-N 2 1 348.470 1.860 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)CC[C@H]3CCCC[NH+]3C)CC2)CCO1 ZINC000351706388 445282945 /nfs/dbraw/zinc/28/29/45/445282945.db2.gz IOZOGNWOVLMSOA-DLBZAZTESA-N 2 1 337.508 1.963 20 0 EDADMP C[C@H]1C[NH+](C2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000351706388 445282949 /nfs/dbraw/zinc/28/29/49/445282949.db2.gz IOZOGNWOVLMSOA-DLBZAZTESA-N 2 1 337.508 1.963 20 0 EDADMP C[C@H]1C[NH+](C2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000351706388 445282952 /nfs/dbraw/zinc/28/29/52/445282952.db2.gz IOZOGNWOVLMSOA-DLBZAZTESA-N 2 1 337.508 1.963 20 0 EDADMP CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000351853513 445343859 /nfs/dbraw/zinc/34/38/59/445343859.db2.gz OKSUYFFSNVVLRP-OFQRWUPVSA-N 2 1 349.475 1.940 20 0 EDADMP CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000351853513 445343861 /nfs/dbraw/zinc/34/38/61/445343861.db2.gz OKSUYFFSNVVLRP-OFQRWUPVSA-N 2 1 349.475 1.940 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)CC1 ZINC000351805409 445327050 /nfs/dbraw/zinc/32/70/50/445327050.db2.gz BXKMQCSXRXGVKD-VQIMIIECSA-N 2 1 345.487 1.388 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000359789388 445429833 /nfs/dbraw/zinc/42/98/33/445429833.db2.gz HEMMUGMYYHCHOK-BIVLZKPYSA-N 2 1 325.497 1.529 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000349007575 445474352 /nfs/dbraw/zinc/47/43/52/445474352.db2.gz NUAJUJPETMCMBD-OKZBNKHCSA-N 2 1 338.540 1.639 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362564830 445442314 /nfs/dbraw/zinc/44/23/14/445442314.db2.gz OHQIKIBRDSVIHH-GJZGRUSLSA-N 2 1 333.480 1.729 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000352339969 445521010 /nfs/dbraw/zinc/52/10/10/445521010.db2.gz JZJQWDMUFNDXJK-FUHWJXTLSA-N 2 1 332.492 1.895 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000352339969 445521015 /nfs/dbraw/zinc/52/10/15/445521015.db2.gz JZJQWDMUFNDXJK-FUHWJXTLSA-N 2 1 332.492 1.895 20 0 EDADMP CN(C[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1)S(C)(=O)=O ZINC000352543961 445536898 /nfs/dbraw/zinc/53/68/98/445536898.db2.gz LSNIBNVHTIRIGJ-JKSUJKDBSA-N 2 1 331.526 1.464 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1)S(C)(=O)=O ZINC000352543961 445536902 /nfs/dbraw/zinc/53/69/02/445536902.db2.gz LSNIBNVHTIRIGJ-JKSUJKDBSA-N 2 1 331.526 1.464 20 0 EDADMP CN(C[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1)S(C)(=O)=O ZINC000352543961 445536905 /nfs/dbraw/zinc/53/69/05/445536905.db2.gz LSNIBNVHTIRIGJ-JKSUJKDBSA-N 2 1 331.526 1.464 20 0 EDADMP CN(C[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1)S(C)(=O)=O ZINC000352543961 445536908 /nfs/dbraw/zinc/53/69/08/445536908.db2.gz LSNIBNVHTIRIGJ-JKSUJKDBSA-N 2 1 331.526 1.464 20 0 EDADMP C[NH+](C)[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)Cc1ccccc1 ZINC000352397457 445526549 /nfs/dbraw/zinc/52/65/49/445526549.db2.gz KEXHMKKJPYAURY-QGZVFWFLSA-N 2 1 341.459 1.898 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000359924904 445490776 /nfs/dbraw/zinc/49/07/76/445490776.db2.gz PMKQXKJDXQXKKJ-DLBZAZTESA-N 2 1 342.528 1.859 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000359924904 445490777 /nfs/dbraw/zinc/49/07/77/445490777.db2.gz PMKQXKJDXQXKKJ-DLBZAZTESA-N 2 1 342.528 1.859 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000359924904 445490781 /nfs/dbraw/zinc/49/07/81/445490781.db2.gz PMKQXKJDXQXKKJ-DLBZAZTESA-N 2 1 342.528 1.859 20 0 EDADMP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000359928191 445492534 /nfs/dbraw/zinc/49/25/34/445492534.db2.gz ZITICXWBDCHUSL-OALUTQOASA-N 2 1 345.487 1.979 20 0 EDADMP CCC1(O)CC[NH+](CC2(C[NH+]3CCC(O)(CC)CC3)COC2)CC1 ZINC000360029045 445536024 /nfs/dbraw/zinc/53/60/24/445536024.db2.gz ZPUSVNNTKNBWBE-UHFFFAOYSA-N 2 1 340.508 1.477 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000362799618 445555905 /nfs/dbraw/zinc/55/59/05/445555905.db2.gz WVKQVDUGDIFCST-IAGOWNOFSA-N 2 1 345.491 1.612 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(CC)CCC[NH+](C)C ZINC000349405700 445579704 /nfs/dbraw/zinc/57/97/04/445579704.db2.gz AGYBZHIGVLJBGX-MRXNPFEDSA-N 2 1 340.512 1.167 20 0 EDADMP C[C@@H]1C[N@@H+](CCCCNc2cc[nH+]c(N3CCOCC3)n2)C[C@H](C)O1 ZINC000353267495 445584746 /nfs/dbraw/zinc/58/47/46/445584746.db2.gz PQXIBSFXIWSGJO-IYBDPMFKSA-N 2 1 349.479 1.615 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNc2cc[nH+]c(N3CCOCC3)n2)C[C@H](C)O1 ZINC000353267495 445584749 /nfs/dbraw/zinc/58/47/49/445584749.db2.gz PQXIBSFXIWSGJO-IYBDPMFKSA-N 2 1 349.479 1.615 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000362860933 445585089 /nfs/dbraw/zinc/58/50/89/445585089.db2.gz CNAMZAQJNUGIBV-IRXDYDNUSA-N 2 1 336.524 1.251 20 0 EDADMP C[C@H](C(=O)N1CC[NH+](C2CCC(C)CC2)CC1)N1CC[NH+](C)CC1 ZINC000360032391 445538032 /nfs/dbraw/zinc/53/80/32/445538032.db2.gz VFJOHEATTIOMEC-LXPRWKDFSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000362936444 445616794 /nfs/dbraw/zinc/61/67/94/445616794.db2.gz VNFKWBXWEPFUHS-UKPHBRMFSA-N 2 1 335.448 1.124 20 0 EDADMP CN(C(=O)NCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000349644723 445632261 /nfs/dbraw/zinc/63/22/61/445632261.db2.gz LOPHNCOEUOEBLO-IBGZPJMESA-N 2 1 342.487 1.923 20 0 EDADMP CN(C(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000349644723 445632264 /nfs/dbraw/zinc/63/22/64/445632264.db2.gz LOPHNCOEUOEBLO-IBGZPJMESA-N 2 1 342.487 1.923 20 0 EDADMP CN(C(=O)NCC[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000349644723 445632266 /nfs/dbraw/zinc/63/22/66/445632266.db2.gz LOPHNCOEUOEBLO-IBGZPJMESA-N 2 1 342.487 1.923 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000358553553 445647474 /nfs/dbraw/zinc/64/74/74/445647474.db2.gz BYZOJNZATPHPJD-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)CC(C)C ZINC000358658434 445698055 /nfs/dbraw/zinc/69/80/55/445698055.db2.gz DZIAEKHVNSJGNZ-DOTOQJQBSA-N 2 1 328.501 1.109 20 0 EDADMP COc1cc2[nH+]c(N(C)CCC[NH+]3CCCC3)nc(N)c2cc1OC ZINC000358666439 445702273 /nfs/dbraw/zinc/70/22/73/445702273.db2.gz PFXXXHNMWPKGDL-UHFFFAOYSA-N 2 1 345.447 2.151 20 0 EDADMP C[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000363338478 445771523 /nfs/dbraw/zinc/77/15/23/445771523.db2.gz GXIFYYAOGKVXIY-IBGZPJMESA-N 2 1 345.487 1.688 20 0 EDADMP C[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000363338478 445771525 /nfs/dbraw/zinc/77/15/25/445771525.db2.gz GXIFYYAOGKVXIY-IBGZPJMESA-N 2 1 345.487 1.688 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000349937089 445726645 /nfs/dbraw/zinc/72/66/45/445726645.db2.gz RKONVCDMPNYZNJ-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1=CCCOC1 ZINC000358706805 445731163 /nfs/dbraw/zinc/73/11/63/445731163.db2.gz COLYXXDMRVUVES-QGZVFWFLSA-N 2 1 338.496 1.391 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccco1 ZINC000358710599 445734598 /nfs/dbraw/zinc/73/45/98/445734598.db2.gz SSQNDWBIVWIHJY-RHSMWYFYSA-N 2 1 338.452 1.028 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000360915359 445738864 /nfs/dbraw/zinc/73/88/64/445738864.db2.gz XTQRCVRQPZIMMU-WMZOPIPTSA-N 2 1 337.508 1.556 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000360915359 445738869 /nfs/dbraw/zinc/73/88/69/445738869.db2.gz XTQRCVRQPZIMMU-WMZOPIPTSA-N 2 1 337.508 1.556 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)NC(=O)NC)CC1)CC(C)C ZINC000358733837 445749656 /nfs/dbraw/zinc/74/96/56/445749656.db2.gz CYMABBIOCVHKNS-UHFFFAOYSA-N 2 1 340.512 1.912 20 0 EDADMP CC[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[NH+](CC)CC ZINC000353777409 445750675 /nfs/dbraw/zinc/75/06/75/445750675.db2.gz CWUOECLVOUPYST-CVEARBPZSA-N 2 1 340.512 1.166 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000363475449 445819102 /nfs/dbraw/zinc/81/91/02/445819102.db2.gz WRGBJOFNUSCKMF-SQNIBIBYSA-N 2 1 331.460 1.659 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000363475449 445819103 /nfs/dbraw/zinc/81/91/03/445819103.db2.gz WRGBJOFNUSCKMF-SQNIBIBYSA-N 2 1 331.460 1.659 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000363475449 445819106 /nfs/dbraw/zinc/81/91/06/445819106.db2.gz WRGBJOFNUSCKMF-SQNIBIBYSA-N 2 1 331.460 1.659 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000350267824 445803706 /nfs/dbraw/zinc/80/37/06/445803706.db2.gz OMKFIJHSDBAHKF-IKGGRYGDSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000350267824 445803708 /nfs/dbraw/zinc/80/37/08/445803708.db2.gz OMKFIJHSDBAHKF-IKGGRYGDSA-N 2 1 340.512 1.517 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC000350283914 445805960 /nfs/dbraw/zinc/80/59/60/445805960.db2.gz ATDLDJNEUFSIHA-WBVHZDCISA-N 2 1 325.497 1.866 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000350337929 445813134 /nfs/dbraw/zinc/81/31/34/445813134.db2.gz XLVCRUDIETZXHR-HNNXBMFYSA-N 2 1 343.475 2.145 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000350337929 445813138 /nfs/dbraw/zinc/81/31/38/445813138.db2.gz XLVCRUDIETZXHR-HNNXBMFYSA-N 2 1 343.475 2.145 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000350619196 445856267 /nfs/dbraw/zinc/85/62/67/445856267.db2.gz PJFGLAJFNXVJNQ-GJZGRUSLSA-N 2 1 340.512 1.022 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCC[N@H+]1C ZINC000350619395 445856292 /nfs/dbraw/zinc/85/62/92/445856292.db2.gz QNJUDKXLNHRJRZ-QLFBSQMISA-N 2 1 340.512 1.068 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000358961492 445866010 /nfs/dbraw/zinc/86/60/10/445866010.db2.gz VHLSPCIYYSFZFH-MRXNPFEDSA-N 2 1 341.544 1.432 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000361720351 445897299 /nfs/dbraw/zinc/89/72/99/445897299.db2.gz YFNIJDGCHJQSAS-CRAIPNDOSA-N 2 1 334.439 1.015 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000369203075 445991218 /nfs/dbraw/zinc/99/12/18/445991218.db2.gz FUSHCZDABLGIID-IXDOHACOSA-N 2 1 338.496 1.101 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)CCCOC)C[C@@H]1C ZINC000361790684 445949051 /nfs/dbraw/zinc/94/90/51/445949051.db2.gz VPZZWBWTYAKURL-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@H](NC(=O)N(C)C[C@H]1CCc2[nH+]ccn2C1)C1=CC[N@H+](C)CC1 ZINC000369249840 446021945 /nfs/dbraw/zinc/02/19/45/446021945.db2.gz JNQPKVUUGDFKOK-LSDHHAIUSA-N 2 1 331.464 1.737 20 0 EDADMP C[C@H](NC(=O)N(C)C[C@H]1CCc2[nH+]ccn2C1)C1=CC[N@@H+](C)CC1 ZINC000369249840 446021951 /nfs/dbraw/zinc/02/19/51/446021951.db2.gz JNQPKVUUGDFKOK-LSDHHAIUSA-N 2 1 331.464 1.737 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CN(C)CCO2)CCN1CC[C@H]1CCCC[N@@H+]1C ZINC000366162660 446053251 /nfs/dbraw/zinc/05/32/51/446053251.db2.gz HWHZSHCSWHPXES-GUDVDZBRSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CN(C)CCO2)CCN1CC[C@H]1CCCC[N@H+]1C ZINC000366162660 446053255 /nfs/dbraw/zinc/05/32/55/446053255.db2.gz HWHZSHCSWHPXES-GUDVDZBRSA-N 2 1 338.540 1.198 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000583554603 326094198 /nfs/dbraw/zinc/09/41/98/326094198.db2.gz UKLYPBSQKCUQLX-KRWDZBQOSA-N 2 1 345.491 1.202 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000583811673 326144945 /nfs/dbraw/zinc/14/49/45/326144945.db2.gz PAJUQGGPZHBQFG-CVEARBPZSA-N 2 1 334.468 1.163 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351476859 446077680 /nfs/dbraw/zinc/07/76/80/446077680.db2.gz LRDAEFRESCJOMK-OKZBNKHCSA-N 2 1 331.460 1.508 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351476859 446077683 /nfs/dbraw/zinc/07/76/83/446077683.db2.gz LRDAEFRESCJOMK-OKZBNKHCSA-N 2 1 331.460 1.508 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N3CCN(Cc4cccs4)CC3)C[C@@H]12 ZINC000351479284 446079297 /nfs/dbraw/zinc/07/92/97/446079297.db2.gz REEGDQWOFHBQEP-USXIJHARSA-N 2 1 348.516 1.061 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CCN(Cc4cccs4)CC3)C[C@@H]12 ZINC000351479284 446079306 /nfs/dbraw/zinc/07/93/06/446079306.db2.gz REEGDQWOFHBQEP-USXIJHARSA-N 2 1 348.516 1.061 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000373182163 446081297 /nfs/dbraw/zinc/08/12/97/446081297.db2.gz ZQABNHSZIFBCRI-DVOMOZLQSA-N 2 1 325.478 1.611 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000366218358 446088949 /nfs/dbraw/zinc/08/89/49/446088949.db2.gz LMVYTJMTCNVNOD-AFYVEPGGSA-N 2 1 344.503 1.745 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000366218358 446088955 /nfs/dbraw/zinc/08/89/55/446088955.db2.gz LMVYTJMTCNVNOD-AFYVEPGGSA-N 2 1 344.503 1.745 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000366218358 446088960 /nfs/dbraw/zinc/08/89/60/446088960.db2.gz LMVYTJMTCNVNOD-AFYVEPGGSA-N 2 1 344.503 1.745 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000366218358 446088963 /nfs/dbraw/zinc/08/89/63/446088963.db2.gz LMVYTJMTCNVNOD-AFYVEPGGSA-N 2 1 344.503 1.745 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351494107 446097964 /nfs/dbraw/zinc/09/79/64/446097964.db2.gz NHVHNOVXCUHWCD-YTQUADARSA-N 2 1 345.487 1.897 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351494107 446097971 /nfs/dbraw/zinc/09/79/71/446097971.db2.gz NHVHNOVXCUHWCD-YTQUADARSA-N 2 1 345.487 1.897 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351496331 446101185 /nfs/dbraw/zinc/10/11/85/446101185.db2.gz RCBIWESHQYCPGZ-BVUBDWEXSA-N 2 1 330.432 1.070 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351496331 446101192 /nfs/dbraw/zinc/10/11/92/446101192.db2.gz RCBIWESHQYCPGZ-BVUBDWEXSA-N 2 1 330.432 1.070 20 0 EDADMP CCOC(=O)C1(C)CCC([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000354325380 446115378 /nfs/dbraw/zinc/11/53/78/446115378.db2.gz AATRENJDCKPFOZ-UHFFFAOYSA-N 2 1 339.480 1.252 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365277280 446121948 /nfs/dbraw/zinc/12/19/48/446121948.db2.gz TTXRBPAEJZNDPZ-BRWVUGGUSA-N 2 1 335.492 1.430 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(CCO)CCOC2)[C@@H](C)C1 ZINC000361982815 446127352 /nfs/dbraw/zinc/12/73/52/446127352.db2.gz LHCQARVKLZGTLR-BZSNNMDCSA-N 2 1 328.497 1.502 20 0 EDADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCC3OCCO3)CC2)CC1 ZINC000373354569 446177986 /nfs/dbraw/zinc/17/79/86/446177986.db2.gz PPBFORDECUHZIZ-UHFFFAOYSA-N 2 1 339.524 1.878 20 0 EDADMP C[N@H+](CCC1OCCO1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000373354569 446177993 /nfs/dbraw/zinc/17/79/93/446177993.db2.gz PPBFORDECUHZIZ-UHFFFAOYSA-N 3 1 339.524 1.878 20 0 EDADMP C[N@@H+](CCC1OCCO1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000373354569 446177996 /nfs/dbraw/zinc/17/79/96/446177996.db2.gz PPBFORDECUHZIZ-UHFFFAOYSA-N 3 1 339.524 1.878 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2CC)C[C@@H]1[NH+]1CCOCC1 ZINC000366384262 446184639 /nfs/dbraw/zinc/18/46/39/446184639.db2.gz JSUMQSVBRVLGNW-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2CC)C[C@@H]1[NH+]1CCOCC1 ZINC000366384262 446184641 /nfs/dbraw/zinc/18/46/41/446184641.db2.gz JSUMQSVBRVLGNW-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000373373472 446187535 /nfs/dbraw/zinc/18/75/35/446187535.db2.gz QPQACBPHAQTLFV-OBVSXPTNSA-N 2 1 337.508 1.817 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000373373472 446187541 /nfs/dbraw/zinc/18/75/41/446187541.db2.gz QPQACBPHAQTLFV-OBVSXPTNSA-N 2 1 337.508 1.817 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000366327169 446154350 /nfs/dbraw/zinc/15/43/50/446154350.db2.gz SPVGPRAREPVBSH-FGTMMUONSA-N 2 1 330.476 1.927 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000351623071 446216955 /nfs/dbraw/zinc/21/69/55/446216955.db2.gz GJOURYBVBKHDPS-DZVNLGKHSA-N 2 1 337.508 1.863 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000351623071 446216960 /nfs/dbraw/zinc/21/69/60/446216960.db2.gz GJOURYBVBKHDPS-DZVNLGKHSA-N 2 1 337.508 1.863 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCCS(C)(=O)=O ZINC000373459759 446224795 /nfs/dbraw/zinc/22/47/95/446224795.db2.gz GVWMKLXUQSBZKK-BRWVUGGUSA-N 2 1 346.537 1.680 20 0 EDADMP C[C@@H](CNC(=O)[C@]1([NH+](C)C)CCOc2ccccc21)[N@H+](C)C1CC1 ZINC000365536130 446245124 /nfs/dbraw/zinc/24/51/24/446245124.db2.gz IVPWWMGHSFAOAF-LIRRHRJNSA-N 2 1 331.460 1.825 20 0 EDADMP C[C@@H](CNC(=O)[C@]1([NH+](C)C)CCOc2ccccc21)[N@@H+](C)C1CC1 ZINC000365536130 446245131 /nfs/dbraw/zinc/24/51/31/446245131.db2.gz IVPWWMGHSFAOAF-LIRRHRJNSA-N 2 1 331.460 1.825 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[N@H+]1C1CC1 ZINC000370323248 446230698 /nfs/dbraw/zinc/23/06/98/446230698.db2.gz DGVMIZNLXQRWKI-RYRKJORJSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[NH+]1C1CC1 ZINC000370323248 446230701 /nfs/dbraw/zinc/23/07/01/446230701.db2.gz DGVMIZNLXQRWKI-RYRKJORJSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[NH+]1C1CC1 ZINC000370323248 446230703 /nfs/dbraw/zinc/23/07/03/446230703.db2.gz DGVMIZNLXQRWKI-RYRKJORJSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000365498339 446231791 /nfs/dbraw/zinc/23/17/91/446231791.db2.gz NDUCXLMZNRZCQH-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000365498339 446231794 /nfs/dbraw/zinc/23/17/94/446231794.db2.gz NDUCXLMZNRZCQH-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000365498339 446231796 /nfs/dbraw/zinc/23/17/96/446231796.db2.gz NDUCXLMZNRZCQH-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)CC2)cs1 ZINC000366575961 446265583 /nfs/dbraw/zinc/26/55/83/446265583.db2.gz WFIPKOSOCPDXQY-KBPBESRZSA-N 2 1 340.468 1.480 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCCC[NH+]2CCC[C@H]2CO)C1 ZINC000365602819 446270304 /nfs/dbraw/zinc/27/03/04/446270304.db2.gz OXPDMJDRBNSQOD-MAUKXSAKSA-N 2 1 343.487 1.552 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000365602819 446270308 /nfs/dbraw/zinc/27/03/08/446270308.db2.gz OXPDMJDRBNSQOD-MAUKXSAKSA-N 2 1 343.487 1.552 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000365602819 446270312 /nfs/dbraw/zinc/27/03/12/446270312.db2.gz OXPDMJDRBNSQOD-MAUKXSAKSA-N 2 1 343.487 1.552 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000366590886 446272747 /nfs/dbraw/zinc/27/27/47/446272747.db2.gz SMGUUQHPEQBFBL-ZWKOTPCHSA-N 2 1 331.460 1.659 20 0 EDADMP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CC3(SC)CCC3)CC2)C1 ZINC000365613507 446274412 /nfs/dbraw/zinc/27/44/12/446274412.db2.gz QBSXKAVGWHOYHW-INIZCTEOSA-N 2 1 327.538 1.610 20 0 EDADMP CC[N@H+]1CCO[C@H](CN2CC[NH+](CC3(SC)CCC3)CC2)C1 ZINC000365613507 446274417 /nfs/dbraw/zinc/27/44/17/446274417.db2.gz QBSXKAVGWHOYHW-INIZCTEOSA-N 2 1 327.538 1.610 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CC3(SC)CCC3)CC2)C1 ZINC000365613508 446274487 /nfs/dbraw/zinc/27/44/87/446274487.db2.gz QBSXKAVGWHOYHW-MRXNPFEDSA-N 2 1 327.538 1.610 20 0 EDADMP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CC3(SC)CCC3)CC2)C1 ZINC000365613508 446274492 /nfs/dbraw/zinc/27/44/92/446274492.db2.gz QBSXKAVGWHOYHW-MRXNPFEDSA-N 2 1 327.538 1.610 20 0 EDADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000365628460 446280875 /nfs/dbraw/zinc/28/08/75/446280875.db2.gz VWJUKSNQHBNSHA-KSSFIOAISA-N 2 1 343.487 1.503 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000365628460 446280879 /nfs/dbraw/zinc/28/08/79/446280879.db2.gz VWJUKSNQHBNSHA-KSSFIOAISA-N 2 1 343.487 1.503 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000365628460 446280883 /nfs/dbraw/zinc/28/08/83/446280883.db2.gz VWJUKSNQHBNSHA-KSSFIOAISA-N 2 1 343.487 1.503 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000365628460 446280887 /nfs/dbraw/zinc/28/08/87/446280887.db2.gz VWJUKSNQHBNSHA-KSSFIOAISA-N 2 1 343.487 1.503 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC[N@H+](CC(C)(C)O)CC1)c1ccccc1 ZINC000366689516 446311581 /nfs/dbraw/zinc/31/15/81/446311581.db2.gz OZUONZAFYHXHGO-KRWDZBQOSA-N 2 1 333.476 1.595 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)c1ccccc1 ZINC000366689516 446311582 /nfs/dbraw/zinc/31/15/82/446311582.db2.gz OZUONZAFYHXHGO-KRWDZBQOSA-N 2 1 333.476 1.595 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC[N@H+](CC(C)(C)O)CC1)c1ccccc1 ZINC000366689517 446311677 /nfs/dbraw/zinc/31/16/77/446311677.db2.gz OZUONZAFYHXHGO-QGZVFWFLSA-N 2 1 333.476 1.595 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)c1ccccc1 ZINC000366689517 446311681 /nfs/dbraw/zinc/31/16/81/446311681.db2.gz OZUONZAFYHXHGO-QGZVFWFLSA-N 2 1 333.476 1.595 20 0 EDADMP CCC[NH+]1CCC(N2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)CC1 ZINC000373724469 446314170 /nfs/dbraw/zinc/31/41/70/446314170.db2.gz CLIAQVYXGJCINN-HNNXBMFYSA-N 2 1 337.430 1.792 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCOc3ccccc3C2)CC[N@H+]1C ZINC000370541626 446324500 /nfs/dbraw/zinc/32/45/00/446324500.db2.gz HZNVHCHHIQYHMI-DOTOQJQBSA-N 2 1 331.460 1.870 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417273036 446336967 /nfs/dbraw/zinc/33/69/67/446336967.db2.gz WEBWNSAYFPMJBA-HUUCEWRRSA-N 2 1 334.464 1.314 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417273036 446336975 /nfs/dbraw/zinc/33/69/75/446336975.db2.gz WEBWNSAYFPMJBA-HUUCEWRRSA-N 2 1 334.464 1.314 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000417445192 446352056 /nfs/dbraw/zinc/35/20/56/446352056.db2.gz FUXTUDQHKKXDLH-CABCVRRESA-N 2 1 326.485 1.114 20 0 EDADMP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417508530 446357399 /nfs/dbraw/zinc/35/73/99/446357399.db2.gz TUZMJAZPEGFZPJ-FUHWJXTLSA-N 2 1 332.492 1.978 20 0 EDADMP CC[C@@H](NC(=O)N[C@@H](C)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417898411 446380592 /nfs/dbraw/zinc/38/05/92/446380592.db2.gz RMBHEHHRWSEKOO-UAGQMJEPSA-N 2 1 334.464 1.312 20 0 EDADMP CC[C@@H](NC(=O)N[C@@H](C)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417898411 446380594 /nfs/dbraw/zinc/38/05/94/446380594.db2.gz RMBHEHHRWSEKOO-UAGQMJEPSA-N 2 1 334.464 1.312 20 0 EDADMP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(F)cc1 ZINC000366854515 446382974 /nfs/dbraw/zinc/38/29/74/446382974.db2.gz PUYXCMHNEGXZIY-IKGGRYGDSA-N 2 1 334.439 1.964 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000366854515 446382980 /nfs/dbraw/zinc/38/29/80/446382980.db2.gz PUYXCMHNEGXZIY-IKGGRYGDSA-N 2 1 334.439 1.964 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000366854515 446382984 /nfs/dbraw/zinc/38/29/84/446382984.db2.gz PUYXCMHNEGXZIY-IKGGRYGDSA-N 2 1 334.439 1.964 20 0 EDADMP CCOC(=O)c1c[nH+]c2cc3c(cc2c1NCCCC[NH3+])OCO3 ZINC000420244515 446428853 /nfs/dbraw/zinc/42/88/53/446428853.db2.gz YMDDRBGISHLMIL-UHFFFAOYSA-N 2 1 331.372 1.713 20 0 EDADMP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418081895 446434232 /nfs/dbraw/zinc/43/42/32/446434232.db2.gz WCSWWPAOHRJGBD-NVXWUHKLSA-N 2 1 348.516 1.607 20 0 EDADMP COc1cc2[nH+]c(N3CC[C@H]4[NH2+]CC[C@@H]4C3)nc(N)c2cc1OC ZINC000420265559 446439388 /nfs/dbraw/zinc/43/93/88/446439388.db2.gz WDCQRRRPFZJVMO-ZYHUDNBSSA-N 2 1 329.404 1.417 20 0 EDADMP [NH3+]CCC[C@H](Nc1cc[nH+]c(N2CCOCC2)n1)c1ccccc1 ZINC000420267678 446440673 /nfs/dbraw/zinc/44/06/73/446440673.db2.gz DEOVYGKFSRXVEB-INIZCTEOSA-N 2 1 327.432 2.205 20 0 EDADMP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420286809 446452847 /nfs/dbraw/zinc/45/28/47/446452847.db2.gz FQOKNDBNENSJHN-ZBFHGGJFSA-N 2 1 346.475 1.363 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CC[NH2+]C1)C1CC1 ZINC000418148204 446442114 /nfs/dbraw/zinc/44/21/14/446442114.db2.gz REGIFVNRGOZTPI-WMZOPIPTSA-N 2 1 330.476 1.806 20 0 EDADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(S(N)(=O)=O)c1 ZINC000423185099 446447422 /nfs/dbraw/zinc/44/74/22/446447422.db2.gz JBCIVFTYAFBWIY-AWEZNQCLSA-N 2 1 348.472 1.560 20 0 EDADMP C[C@H](NC(=O)N1CC[NH2+]C[C@@](C)(F)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417988810 446408863 /nfs/dbraw/zinc/40/88/63/446408863.db2.gz IVOOLWUZWVCORR-HDMKZQKVSA-N 2 1 340.487 1.982 20 0 EDADMP C[C@H](NC(=O)N1CC[NH2+]C[C@@](C)(F)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417988810 446408866 /nfs/dbraw/zinc/40/88/66/446408866.db2.gz IVOOLWUZWVCORR-HDMKZQKVSA-N 2 1 340.487 1.982 20 0 EDADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccccc2C(=O)N(C)C)CCCO1 ZINC000418039826 446423318 /nfs/dbraw/zinc/42/33/18/446423318.db2.gz UIQHPHINIDRCSA-MRXNPFEDSA-N 2 1 333.476 1.979 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2C(=O)N(C)C)CCCO1 ZINC000418039826 446423322 /nfs/dbraw/zinc/42/33/22/446423322.db2.gz UIQHPHINIDRCSA-MRXNPFEDSA-N 2 1 333.476 1.979 20 0 EDADMP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420292210 446456023 /nfs/dbraw/zinc/45/60/23/446456023.db2.gz LOMSYPMUKGTYNC-CQSZACIVSA-N 2 1 342.443 1.446 20 0 EDADMP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420292210 446456030 /nfs/dbraw/zinc/45/60/30/446456030.db2.gz LOMSYPMUKGTYNC-CQSZACIVSA-N 2 1 342.443 1.446 20 0 EDADMP [NH3+]CCC[C@H](NC(=O)NCC[N@H+]1CCCOCC1)c1ccccc1 ZINC000418220562 446462437 /nfs/dbraw/zinc/46/24/37/446462437.db2.gz HDGYAKCNDHLMNA-KRWDZBQOSA-N 2 1 334.464 1.488 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000420304652 446467748 /nfs/dbraw/zinc/46/77/48/446467748.db2.gz FHJVZKJPRPUBRG-IRXDYDNUSA-N 3 1 348.491 1.057 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000420304652 446467754 /nfs/dbraw/zinc/46/77/54/446467754.db2.gz FHJVZKJPRPUBRG-IRXDYDNUSA-N 3 1 348.491 1.057 20 0 EDADMP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000420318326 446482991 /nfs/dbraw/zinc/48/29/91/446482991.db2.gz OMFYXIVEYJTZSX-SQNIBIBYSA-N 2 1 342.439 1.689 20 0 EDADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000420318326 446482995 /nfs/dbraw/zinc/48/29/95/446482995.db2.gz OMFYXIVEYJTZSX-SQNIBIBYSA-N 2 1 342.439 1.689 20 0 EDADMP C[C@@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+]1CCCCCC1 ZINC000432547329 446484986 /nfs/dbraw/zinc/48/49/86/446484986.db2.gz SXEKYHYHUBOVCJ-SJORKVTESA-N 2 1 325.497 1.868 20 0 EDADMP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420326737 446492515 /nfs/dbraw/zinc/49/25/15/446492515.db2.gz KQFAHPXDLSVLLI-FUHWJXTLSA-N 2 1 345.487 1.721 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000420326036 446493074 /nfs/dbraw/zinc/49/30/74/446493074.db2.gz JBBNBTWQVDVYHY-WBVHZDCISA-N 2 1 346.431 1.163 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420331179 446501138 /nfs/dbraw/zinc/50/11/38/446501138.db2.gz BSHQIUVPENEEOG-QZTJIDSGSA-N 2 1 345.487 1.975 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc2c(c1)OCO2 ZINC000420331477 446501562 /nfs/dbraw/zinc/50/15/62/446501562.db2.gz CAASRIGPOWKYLP-ZIAGYGMSSA-N 2 1 331.416 1.675 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CNCC[C@H]1c1ccc(F)c(F)c1 ZINC000423362451 446502051 /nfs/dbraw/zinc/50/20/51/446502051.db2.gz HVSHOKBJBDRJJL-ZQIUZPCESA-N 2 1 327.419 1.754 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418341243 446507301 /nfs/dbraw/zinc/50/73/01/446507301.db2.gz OVEDQEZYHPDMHN-IAGOWNOFSA-N 3 1 339.528 1.044 20 0 EDADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCC[NH3+] ZINC000418354514 446511903 /nfs/dbraw/zinc/51/19/03/446511903.db2.gz OQTUZNCNFRKGSB-YJBOKZPZSA-N 2 1 347.507 1.981 20 0 EDADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCC[NH3+] ZINC000418354514 446511907 /nfs/dbraw/zinc/51/19/07/446511907.db2.gz OQTUZNCNFRKGSB-YJBOKZPZSA-N 2 1 347.507 1.981 20 0 EDADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000420342435 446513554 /nfs/dbraw/zinc/51/35/54/446513554.db2.gz PJWGVFRYEMFVEL-CABCVRRESA-N 2 1 347.459 1.964 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423391261 446514080 /nfs/dbraw/zinc/51/40/80/446514080.db2.gz NLGOZEINZISLGO-GJZGRUSLSA-N 2 1 333.480 1.443 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000423392016 446515658 /nfs/dbraw/zinc/51/56/58/446515658.db2.gz XGSMGQNCPFVSNG-OAGGEKHMSA-N 2 1 340.512 1.007 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423354391 446498276 /nfs/dbraw/zinc/49/82/76/446498276.db2.gz CVSDLDKVSILKEZ-QKPAOTATSA-N 2 1 347.507 1.973 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]C1 ZINC000423361212 446500377 /nfs/dbraw/zinc/50/03/77/446500377.db2.gz RGPXSDANRJVMAW-UYAOXDASSA-N 2 1 345.487 1.293 20 0 EDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000418487434 446562334 /nfs/dbraw/zinc/56/23/34/446562334.db2.gz ILFDECURVDRWAC-YKDOHLLJSA-N 2 1 338.496 1.038 20 0 EDADMP O=C(NCC1C[NH2+]C1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000418488586 446562739 /nfs/dbraw/zinc/56/27/39/446562739.db2.gz MWZMDZXUODEFMU-FQEVSTJZSA-N 2 1 342.487 1.904 20 0 EDADMP CC(=O)c1ccccc1OCC[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420388667 446563360 /nfs/dbraw/zinc/56/33/60/446563360.db2.gz MCHMSDMRHFOFOE-MSOLQXFVSA-N 2 1 344.455 1.968 20 0 EDADMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423397362 446516783 /nfs/dbraw/zinc/51/67/83/446516783.db2.gz BYJZVKMTEZMZEI-LEWSCRJBSA-N 2 1 341.249 1.833 20 0 EDADMP Cc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc(=O)n2c1 ZINC000420346088 446518613 /nfs/dbraw/zinc/51/86/13/446518613.db2.gz XJYNSEFNMCLGIN-HOTGVXAUSA-N 2 1 326.444 1.824 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc2c(c1)OCCO2 ZINC000420346271 446519471 /nfs/dbraw/zinc/51/94/71/446519471.db2.gz XYJNRPXDUXPVQC-HUUCEWRRSA-N 2 1 345.443 1.718 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423409811 446521815 /nfs/dbraw/zinc/52/18/15/446521815.db2.gz CGSKCHGTPXDSOK-OIISXLGYSA-N 2 1 331.464 1.506 20 0 EDADMP Fc1cc(OCC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC000420347540 446523222 /nfs/dbraw/zinc/52/32/22/446523222.db2.gz HGZPNVIFZLCYHY-ZDUSSCGKSA-N 2 1 327.831 1.837 20 0 EDADMP O=C1[C@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCCN1c1cccc(F)c1 ZINC000420347416 446523912 /nfs/dbraw/zinc/52/39/12/446523912.db2.gz GPAIIKLCDUMNFJ-QZTJIDSGSA-N 2 1 346.450 1.301 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])CC2)cn1 ZINC000418400579 446529738 /nfs/dbraw/zinc/52/97/38/446529738.db2.gz FXFGRDMGFFOFOA-SJORKVTESA-N 2 1 348.495 1.248 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])CC2)cn1 ZINC000418400579 446529744 /nfs/dbraw/zinc/52/97/44/446529744.db2.gz FXFGRDMGFFOFOA-SJORKVTESA-N 2 1 348.495 1.248 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418403256 446530615 /nfs/dbraw/zinc/53/06/15/446530615.db2.gz BSXDYKORPGGMJI-GJZGRUSLSA-N 2 1 326.485 1.256 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418403256 446530620 /nfs/dbraw/zinc/53/06/20/446530620.db2.gz BSXDYKORPGGMJI-GJZGRUSLSA-N 2 1 326.485 1.256 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423428238 446532193 /nfs/dbraw/zinc/53/21/93/446532193.db2.gz OENAXCHGGMSSSN-LSDHHAIUSA-N 2 1 333.480 1.871 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000418403577 446532736 /nfs/dbraw/zinc/53/27/36/446532736.db2.gz BTDQOHQUUNWYPI-XUWVNRHRSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000418403577 446532742 /nfs/dbraw/zinc/53/27/42/446532742.db2.gz BTDQOHQUUNWYPI-XUWVNRHRSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C[N@H+]1Cc1ccccc1 ZINC000423434985 446535703 /nfs/dbraw/zinc/53/57/03/446535703.db2.gz KZIUAIJSNHUNLW-GDBMZVCRSA-N 2 1 342.447 1.020 20 0 EDADMP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000420392056 446567382 /nfs/dbraw/zinc/56/73/82/446567382.db2.gz IWNKCWUZDXYJTH-IRXDYDNUSA-N 2 1 330.476 1.013 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000420358511 446538652 /nfs/dbraw/zinc/53/86/52/446538652.db2.gz JGWMPKZFGDQIGO-HZPDHXFCSA-N 2 1 341.459 1.989 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)NCCOc1cccc(Cl)c1 ZINC000420358786 446540004 /nfs/dbraw/zinc/54/00/04/446540004.db2.gz JEGGMFRIUPXWFV-OAHLLOKOSA-N 2 1 339.867 1.813 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000453241992 446551073 /nfs/dbraw/zinc/55/10/73/446551073.db2.gz DZNJDKOFYMUWAU-BZPMIXESSA-N 2 1 342.281 1.929 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000453246915 446551292 /nfs/dbraw/zinc/55/12/92/446551292.db2.gz JVYBHULXDAIXTB-WCQYABFASA-N 2 1 328.254 1.541 20 0 EDADMP COCC[NH2+]CCNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000418504257 446570017 /nfs/dbraw/zinc/57/00/17/446570017.db2.gz ASXHZZRJSFKBRV-SJORKVTESA-N 2 1 348.491 1.527 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3cnsn3)CC2)CC1 ZINC000371084759 446618409 /nfs/dbraw/zinc/61/84/09/446618409.db2.gz HPIMYPGQCXPQNP-UHFFFAOYSA-N 2 1 337.493 1.464 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420399805 446573420 /nfs/dbraw/zinc/57/34/20/446573420.db2.gz OJPKEXHCSJKTDQ-HKUYNNGSSA-N 2 1 345.487 1.913 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420399805 446573426 /nfs/dbraw/zinc/57/34/26/446573426.db2.gz OJPKEXHCSJKTDQ-HKUYNNGSSA-N 2 1 345.487 1.913 20 0 EDADMP CC[C@@H](CO)[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1 ZINC000411506549 446575556 /nfs/dbraw/zinc/57/55/56/446575556.db2.gz QHASTAABTBGKEW-IBGZPJMESA-N 2 1 347.503 1.860 20 0 EDADMP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418529366 446582318 /nfs/dbraw/zinc/58/23/18/446582318.db2.gz TXLSHLNHTNROOI-SJLPKXTDSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C[C@H]1C[NH3+] ZINC000420410775 446583507 /nfs/dbraw/zinc/58/35/07/446583507.db2.gz RKEVPACWTGUVON-LSDHHAIUSA-N 2 1 340.471 1.969 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C[C@H]1C[NH3+] ZINC000420410775 446583512 /nfs/dbraw/zinc/58/35/12/446583512.db2.gz RKEVPACWTGUVON-LSDHHAIUSA-N 2 1 340.471 1.969 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)C1 ZINC000418626943 446620014 /nfs/dbraw/zinc/62/00/14/446620014.db2.gz AHSIUMBOTARQBO-DOTOQJQBSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000423691605 446643581 /nfs/dbraw/zinc/64/35/81/446643581.db2.gz IVSQFRBMQLOOGF-HRCADAONSA-N 2 1 338.496 1.048 20 0 EDADMP C[C@@H]1CN(CCN(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H](C)O1 ZINC000368108789 446646655 /nfs/dbraw/zinc/64/66/55/446646655.db2.gz APDGCPRMTUQXDA-RVKKMQEKSA-N 2 1 343.487 1.767 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418727537 446656048 /nfs/dbraw/zinc/65/60/48/446656048.db2.gz MJODCJVMUGJYMD-AEFFLSMTSA-N 2 1 334.464 1.002 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H](CC[NH3+])C(F)F)CC[N@H+]1CCOC ZINC000418732763 446659576 /nfs/dbraw/zinc/65/95/76/446659576.db2.gz JYRJAXMFVZSTTC-STQMWFEESA-N 2 1 336.427 1.111 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418628076 446622106 /nfs/dbraw/zinc/62/21/06/446622106.db2.gz OMPUIVGKZYQCTB-QFBILLFUSA-N 2 1 330.476 1.902 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418646186 446630162 /nfs/dbraw/zinc/63/01/62/446630162.db2.gz WSACQPKLJIMQAF-FUHWJXTLSA-N 2 1 346.475 1.019 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418644949 446630527 /nfs/dbraw/zinc/63/05/27/446630527.db2.gz VOBNHTZCRGXJLG-UWWQBHOKSA-N 2 1 328.460 1.752 20 0 EDADMP COCC[C@]1(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CC[NH2+]C1 ZINC000423755443 446685196 /nfs/dbraw/zinc/68/51/96/446685196.db2.gz FELYEZXHVJDPEX-GOSISDBHSA-N 2 1 325.497 1.726 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000418766470 446685430 /nfs/dbraw/zinc/68/54/30/446685430.db2.gz KSIQVKSMEOAWBP-ARFHVFGLSA-N 2 1 326.485 1.005 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000423757969 446687602 /nfs/dbraw/zinc/68/76/02/446687602.db2.gz NFXSIDFNYCAQII-MOPGFXCFSA-N 2 1 344.503 1.357 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418782244 446700596 /nfs/dbraw/zinc/70/05/96/446700596.db2.gz ZYRXQUREKPYTKZ-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280647 446739695 /nfs/dbraw/zinc/73/96/95/446739695.db2.gz RJVLTRXWCWQAJW-FUHWJXTLSA-N 2 1 330.476 1.361 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280647 446739703 /nfs/dbraw/zinc/73/97/03/446739703.db2.gz RJVLTRXWCWQAJW-FUHWJXTLSA-N 2 1 330.476 1.361 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)C[C@H](C[NH3+])OC)CC[N@H+]2C2CC2)c1 ZINC000423828054 446718575 /nfs/dbraw/zinc/71/85/75/446718575.db2.gz NVXQVTMSGIYUTP-ZHALLVOQSA-N 2 1 347.459 1.453 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3C[NH2+]CCO3)CC[N@H+]2C2CC2)c1 ZINC000423833970 446723073 /nfs/dbraw/zinc/72/30/73/446723073.db2.gz TXWIBUVWWIHMOZ-KZNAEPCWSA-N 2 1 345.443 1.078 20 0 EDADMP C[C@H](NC(=O)[C@H]([NH3+])C1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423886039 446744152 /nfs/dbraw/zinc/74/41/52/446744152.db2.gz ZOYNIUBHPPXDHZ-KFKAGJAMSA-N 2 1 345.487 1.767 20 0 EDADMP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423905140 446756462 /nfs/dbraw/zinc/75/64/62/446756462.db2.gz OXKFWDLWOPVVPQ-CEXWTWQISA-N 2 1 343.471 1.488 20 0 EDADMP C[NH2+][C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cnn(C)c1 ZINC000423910096 446760066 /nfs/dbraw/zinc/76/00/66/446760066.db2.gz UQIKUVXKBIMPNU-COXVUDFISA-N 2 1 331.464 1.156 20 0 EDADMP COCC[C@]1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]C1 ZINC000423913037 446763025 /nfs/dbraw/zinc/76/30/25/446763025.db2.gz WOHOFVDCLMPGIH-SZVBFZGTSA-N 2 1 335.492 1.478 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H]1[NH3+] ZINC000423990377 446811960 /nfs/dbraw/zinc/81/19/60/446811960.db2.gz ZHWQPVWQGKUMFT-OIPACUDHSA-N 2 1 331.460 1.715 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H]1[NH3+] ZINC000423990377 446811967 /nfs/dbraw/zinc/81/19/67/446811967.db2.gz ZHWQPVWQGKUMFT-OIPACUDHSA-N 2 1 331.460 1.715 20 0 EDADMP C[N@@H+]1CCC[C@H](C[NH2+]CC(=O)N2CCNC2=O)[C@H]1c1ccccc1 ZINC000375458480 446813545 /nfs/dbraw/zinc/81/35/45/446813545.db2.gz GNCPDCPPGPJWOR-NVXWUHKLSA-N 2 1 330.432 1.211 20 0 EDADMP C[N@H+]1CCC[C@H](C[NH2+]CC(=O)N2CCNC2=O)[C@H]1c1ccccc1 ZINC000375458480 446813548 /nfs/dbraw/zinc/81/35/48/446813548.db2.gz GNCPDCPPGPJWOR-NVXWUHKLSA-N 2 1 330.432 1.211 20 0 EDADMP COC(=O)[C@@]1(C)CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000412059850 446820875 /nfs/dbraw/zinc/82/08/75/446820875.db2.gz DCICXYAYWQEWJE-SFHVURJKSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@@H](C(=O)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1)N1CC[NH+](C)CC1 ZINC000371407367 446835752 /nfs/dbraw/zinc/83/57/52/446835752.db2.gz BQPBJRVVDMDFHM-IRXDYDNUSA-N 2 1 348.535 1.345 20 0 EDADMP C[C@@H](C(=O)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1)N1CC[NH+](C)CC1 ZINC000371407367 446835759 /nfs/dbraw/zinc/83/57/59/446835759.db2.gz BQPBJRVVDMDFHM-IRXDYDNUSA-N 2 1 348.535 1.345 20 0 EDADMP C[N@@H+](C[C@H](O)c1ccccc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371424119 446846228 /nfs/dbraw/zinc/84/62/28/446846228.db2.gz MDHHHXINUGTOLH-LPHOPBHVSA-N 2 1 335.467 1.959 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000419018007 446869617 /nfs/dbraw/zinc/86/96/17/446869617.db2.gz BICLFGVWELMAPM-GJZGRUSLSA-N 2 1 340.512 1.103 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000419079752 446909904 /nfs/dbraw/zinc/90/99/04/446909904.db2.gz NTJPHLSFEAYTRS-CABCVRRESA-N 2 1 326.485 1.001 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C2CCCCCC2)C1 ZINC000371522470 446912205 /nfs/dbraw/zinc/91/22/05/446912205.db2.gz UILMFECCLFILSP-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000371522470 446912214 /nfs/dbraw/zinc/91/22/14/446912214.db2.gz UILMFECCLFILSP-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000371522470 446912224 /nfs/dbraw/zinc/91/22/24/446912224.db2.gz UILMFECCLFILSP-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000419082686 446912674 /nfs/dbraw/zinc/91/26/74/446912674.db2.gz UUYPPIFZSWBSHX-AWEZNQCLSA-N 2 1 326.485 1.001 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000442614554 446915625 /nfs/dbraw/zinc/91/56/25/446915625.db2.gz BDYIVBLHIUYNNO-NCOADZHNSA-N 2 1 325.497 1.708 20 0 EDADMP C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000412275100 446919364 /nfs/dbraw/zinc/91/93/64/446919364.db2.gz WOVUTZXKGQICDE-JONQDZQNSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000412275100 446919371 /nfs/dbraw/zinc/91/93/71/446919371.db2.gz WOVUTZXKGQICDE-JONQDZQNSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@](F)(CO)C1 ZINC000368536047 446928187 /nfs/dbraw/zinc/92/81/87/446928187.db2.gz CRONVRWENRRFMT-SZVBFZGTSA-N 2 1 349.450 1.172 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000377121026 446935138 /nfs/dbraw/zinc/93/51/38/446935138.db2.gz RZLQSEPRTXVVBU-MRXNPFEDSA-N 2 1 343.537 1.751 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000377121026 446935144 /nfs/dbraw/zinc/93/51/44/446935144.db2.gz RZLQSEPRTXVVBU-MRXNPFEDSA-N 2 1 343.537 1.751 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000375634261 446939812 /nfs/dbraw/zinc/93/98/12/446939812.db2.gz HIRRKARDPHQBKY-QLCXLMDBSA-N 2 1 335.492 1.382 20 0 EDADMP C[N@@H+]1CC[C@H]2OCCN(Cc3cccc(C[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000420969389 446938929 /nfs/dbraw/zinc/93/89/29/446938929.db2.gz YBJKQIOLGWQRBH-WOJBJXKFSA-N 2 1 345.487 1.424 20 0 EDADMP C[N@H+]1CC[C@H]2OCCN(Cc3cccc(C[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000420969389 446938932 /nfs/dbraw/zinc/93/89/32/446938932.db2.gz YBJKQIOLGWQRBH-WOJBJXKFSA-N 2 1 345.487 1.424 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000368574409 446952312 /nfs/dbraw/zinc/95/23/12/446952312.db2.gz BBYISYLETMWAHU-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000442758559 446953652 /nfs/dbraw/zinc/95/36/52/446953652.db2.gz ORQRKAYLXOHKBD-AAEUAGOBSA-N 2 1 345.365 1.871 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000442758559 446953658 /nfs/dbraw/zinc/95/36/58/446953658.db2.gz ORQRKAYLXOHKBD-AAEUAGOBSA-N 2 1 345.365 1.871 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000413126574 447020457 /nfs/dbraw/zinc/02/04/57/447020457.db2.gz HWQCSSWWBOZWKW-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000413126574 447020463 /nfs/dbraw/zinc/02/04/63/447020463.db2.gz HWQCSSWWBOZWKW-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000413126574 447020469 /nfs/dbraw/zinc/02/04/69/447020469.db2.gz HWQCSSWWBOZWKW-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000424998529 446986823 /nfs/dbraw/zinc/98/68/23/446986823.db2.gz IZSHZCWLDWCNPJ-XHSDSOJGSA-N 2 1 325.497 1.817 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000424998529 446986828 /nfs/dbraw/zinc/98/68/28/446986828.db2.gz IZSHZCWLDWCNPJ-XHSDSOJGSA-N 2 1 325.497 1.817 20 0 EDADMP COC(=O)CN1CCC(N[C@H]2c3ccccc3CC[C@H]2[NH+](C)C)CC1 ZINC000368629801 446991636 /nfs/dbraw/zinc/99/16/36/446991636.db2.gz BANLBPRQNFGQGO-QUCCMNQESA-N 2 1 345.487 1.831 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058186 446999403 /nfs/dbraw/zinc/99/94/03/446999403.db2.gz JRNXXXQNQBGKFC-MRXNPFEDSA-N 2 1 349.475 1.641 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)on1 ZINC000372097734 446999429 /nfs/dbraw/zinc/99/94/29/446999429.db2.gz CFDSFNBPBLAKPM-GJZGRUSLSA-N 2 1 334.464 1.923 20 0 EDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000443060231 447001452 /nfs/dbraw/zinc/00/14/52/447001452.db2.gz OSMKRNIPVUUIAF-AWEZNQCLSA-N 2 1 347.488 1.992 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000368694554 447043776 /nfs/dbraw/zinc/04/37/76/447043776.db2.gz MCSJLHSLTUOITB-MJGOQNOKSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000368694554 447043779 /nfs/dbraw/zinc/04/37/79/447043779.db2.gz MCSJLHSLTUOITB-MJGOQNOKSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000368694554 447043786 /nfs/dbraw/zinc/04/37/86/447043786.db2.gz MCSJLHSLTUOITB-MJGOQNOKSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000368694554 447043793 /nfs/dbraw/zinc/04/37/93/447043793.db2.gz MCSJLHSLTUOITB-MJGOQNOKSA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)N1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)C1=O ZINC000372353261 447045867 /nfs/dbraw/zinc/04/58/67/447045867.db2.gz DJTNBRDKWUIWMP-VSZNYVQBSA-N 2 1 337.508 1.865 20 0 EDADMP CC(C)N1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)C1=O ZINC000372353261 447045870 /nfs/dbraw/zinc/04/58/70/447045870.db2.gz DJTNBRDKWUIWMP-VSZNYVQBSA-N 2 1 337.508 1.865 20 0 EDADMP CCc1nc(CN2C[C@@H]3C[N@H+](CC[C@@H]4CCC[NH+]4C)C[C@@H]3C2)no1 ZINC000372426459 447056309 /nfs/dbraw/zinc/05/63/09/447056309.db2.gz VXDILTBXZTUCNH-XHSDSOJGSA-N 2 1 333.480 1.480 20 0 EDADMP COc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375802677 447063550 /nfs/dbraw/zinc/06/35/50/447063550.db2.gz VQCDYMUFKJFVSS-RCCFBDPRSA-N 2 1 331.460 1.887 20 0 EDADMP CN(C)c1ncc(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)n1C ZINC000425320219 447113344 /nfs/dbraw/zinc/11/33/44/447113344.db2.gz CGJWMRVEEOXUSQ-QGZVFWFLSA-N 2 1 332.448 1.496 20 0 EDADMP CN(C)c1ncc(CN(C)C[C@@H](O)COCc2ccccc2)n1C ZINC000425320219 447113350 /nfs/dbraw/zinc/11/33/50/447113350.db2.gz CGJWMRVEEOXUSQ-QGZVFWFLSA-N 2 1 332.448 1.496 20 0 EDADMP CCN1CCC[C@@H](C[N@@H+](C)CCN2CCCC2=O)[C@@H]1c1cnn(C)c1 ZINC000372536326 447118103 /nfs/dbraw/zinc/11/81/03/447118103.db2.gz CNWSEWOVZDAAND-QFBILLFUSA-N 2 1 347.507 1.747 20 0 EDADMP CC[N@@H+]1CCC[C@@H](CN(C)CCN2CCCC2=O)[C@@H]1c1cnn(C)c1 ZINC000372536326 447118107 /nfs/dbraw/zinc/11/81/07/447118107.db2.gz CNWSEWOVZDAAND-QFBILLFUSA-N 2 1 347.507 1.747 20 0 EDADMP CC[N@H+]1CCC[C@@H](CN(C)CCN2CCCC2=O)[C@@H]1c1cnn(C)c1 ZINC000372536326 447118112 /nfs/dbraw/zinc/11/81/12/447118112.db2.gz CNWSEWOVZDAAND-QFBILLFUSA-N 2 1 347.507 1.747 20 0 EDADMP C[C@H](C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)[NH+]1CCCCCC1 ZINC000372494787 447089612 /nfs/dbraw/zinc/08/96/12/447089612.db2.gz KKBLBMVESCGIOE-MRXNPFEDSA-N 2 1 325.497 1.556 20 0 EDADMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)NCc3ccco3)CC2)CC1 ZINC000368826950 447140144 /nfs/dbraw/zinc/14/01/44/447140144.db2.gz XUUVQNPOMKZXJS-UHFFFAOYSA-N 2 1 348.491 1.245 20 0 EDADMP COC(=O)c1coc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375908776 447141812 /nfs/dbraw/zinc/14/18/12/447141812.db2.gz YOCUOLCIBGMIJS-INIZCTEOSA-N 2 1 335.448 1.667 20 0 EDADMP COC(=O)c1coc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375908776 447141819 /nfs/dbraw/zinc/14/18/19/447141819.db2.gz YOCUOLCIBGMIJS-INIZCTEOSA-N 2 1 335.448 1.667 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCCC1)N1CC[NH+](C)CC1 ZINC000372572965 447152695 /nfs/dbraw/zinc/15/26/95/447152695.db2.gz RMBNDOJEAVUWEE-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)C1CCCCC1 ZINC000419414179 447160594 /nfs/dbraw/zinc/16/05/94/447160594.db2.gz SWVZTXCRYZBAPI-OAHLLOKOSA-N 2 1 338.496 1.016 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000375901685 447133246 /nfs/dbraw/zinc/13/32/46/447133246.db2.gz CRSJVJXOCPEYEL-RTBURBONSA-N 2 1 335.467 1.959 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cn(C)nc1C1CCC1 ZINC000413431563 447178131 /nfs/dbraw/zinc/17/81/31/447178131.db2.gz BBEWCGPJOYRDFB-UHFFFAOYSA-N 2 1 347.507 1.786 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cn(C)nc1C1CCC1 ZINC000413431563 447178136 /nfs/dbraw/zinc/17/81/36/447178136.db2.gz BBEWCGPJOYRDFB-UHFFFAOYSA-N 2 1 347.507 1.786 20 0 EDADMP O=C1NCCN1CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377547093 447194469 /nfs/dbraw/zinc/19/44/69/447194469.db2.gz ZKJTWNRVKQAVIG-UHFFFAOYSA-N 2 1 342.487 2.000 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH+]2CCC(S(N)(=O)=O)CC2)cc1 ZINC000377624028 447251791 /nfs/dbraw/zinc/25/17/91/447251791.db2.gz KETNUFGSKHCVRX-CYBMUJFWSA-N 2 1 348.472 1.995 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426479327 447453419 /nfs/dbraw/zinc/45/34/19/447453419.db2.gz JDSDHUPCUSFWGQ-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000458730441 447466021 /nfs/dbraw/zinc/46/60/21/447466021.db2.gz FVFVLBVLXPPSPA-HOTGVXAUSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458730441 447466026 /nfs/dbraw/zinc/46/60/26/447466026.db2.gz FVFVLBVLXPPSPA-HOTGVXAUSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458730441 447466032 /nfs/dbraw/zinc/46/60/32/447466032.db2.gz FVFVLBVLXPPSPA-HOTGVXAUSA-N 2 1 340.512 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000458782238 447477287 /nfs/dbraw/zinc/47/72/87/447477287.db2.gz SCFPPXYXAZLRJQ-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458782238 447477294 /nfs/dbraw/zinc/47/72/94/447477294.db2.gz SCFPPXYXAZLRJQ-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458782238 447477297 /nfs/dbraw/zinc/47/72/97/447477297.db2.gz SCFPPXYXAZLRJQ-HOTGVXAUSA-N 2 1 326.485 1.007 20 0 EDADMP CN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388545780 447478988 /nfs/dbraw/zinc/47/89/88/447478988.db2.gz VDIDPKGLOZHQRM-GOSISDBHSA-N 2 1 330.476 1.015 20 0 EDADMP CC(C)[NH+](CCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)C(C)C ZINC000457413977 447576185 /nfs/dbraw/zinc/57/61/85/447576185.db2.gz BCNVTQHDXGEZPT-MRXNPFEDSA-N 2 1 328.501 1.251 20 0 EDADMP C[C@H]1CN(C(C)(C)CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[C@H](C)O1 ZINC000457559741 447597193 /nfs/dbraw/zinc/59/71/93/447597193.db2.gz HZHAWWAUTOAUTK-YHUYYLMFSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[C@H](C)O1 ZINC000457559741 447597196 /nfs/dbraw/zinc/59/71/96/447597196.db2.gz HZHAWWAUTOAUTK-YHUYYLMFSA-N 2 1 338.496 1.220 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000457997491 447692796 /nfs/dbraw/zinc/69/27/96/447692796.db2.gz ZJFZVUVCRVDROE-MRXNPFEDSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000416916165 447708844 /nfs/dbraw/zinc/70/88/44/447708844.db2.gz HMFMEISXEJSLBY-CAOSSQGBSA-N 2 1 340.512 1.501 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000416916165 447708850 /nfs/dbraw/zinc/70/88/50/447708850.db2.gz HMFMEISXEJSLBY-CAOSSQGBSA-N 2 1 340.512 1.501 20 0 EDADMP O[C@@]1(CNC2CC[NH+](C3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000459419417 447659100 /nfs/dbraw/zinc/65/91/00/447659100.db2.gz AMRBCDCTRDJZEN-HXUWFJFHSA-N 3 1 329.488 1.840 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000416915721 447707263 /nfs/dbraw/zinc/70/72/63/447707263.db2.gz HBHNQGUNXCRGQR-CBBWQLFWSA-N 2 1 326.485 1.314 20 0 EDADMP O=C1CNCCN1[C@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000420238300 447682697 /nfs/dbraw/zinc/68/26/97/447682697.db2.gz KNSVKYKHWZTHNX-NSHDSACASA-N 2 1 339.237 1.245 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000428299113 447688446 /nfs/dbraw/zinc/68/84/46/447688446.db2.gz HLBXEWZFAYDCIS-UHFFFAOYSA-N 2 1 345.487 1.208 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416939151 447716163 /nfs/dbraw/zinc/71/61/63/447716163.db2.gz MLBPHLIWNSJAFE-INIZCTEOSA-N 2 1 326.485 1.127 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000416945271 447721033 /nfs/dbraw/zinc/72/10/33/447721033.db2.gz FEAXHDBCCGGRTL-ZOBUZTSGSA-N 2 1 340.512 1.515 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000416946590 447721280 /nfs/dbraw/zinc/72/12/80/447721280.db2.gz FZSJOBFNZKFVFM-MRXNPFEDSA-N 2 1 340.512 1.517 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496156323 447730244 /nfs/dbraw/zinc/73/02/44/447730244.db2.gz SARVJHJFSWIKKJ-MAUKXSAKSA-N 2 1 343.512 1.926 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496156323 447730248 /nfs/dbraw/zinc/73/02/48/447730248.db2.gz SARVJHJFSWIKKJ-MAUKXSAKSA-N 2 1 343.512 1.926 20 0 EDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496156323 447730250 /nfs/dbraw/zinc/73/02/50/447730250.db2.gz SARVJHJFSWIKKJ-MAUKXSAKSA-N 2 1 343.512 1.926 20 0 EDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496156323 447730251 /nfs/dbraw/zinc/73/02/51/447730251.db2.gz SARVJHJFSWIKKJ-MAUKXSAKSA-N 2 1 343.512 1.926 20 0 EDADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000422789666 447750363 /nfs/dbraw/zinc/75/03/63/447750363.db2.gz OUPCAIUZHUZKJE-KDOFPFPSSA-N 2 1 327.428 1.599 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000422825046 447760988 /nfs/dbraw/zinc/76/09/88/447760988.db2.gz PAFNUTBARFGNMI-RYQLBKOJSA-N 2 1 333.476 1.780 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422825046 447760992 /nfs/dbraw/zinc/76/09/92/447760992.db2.gz PAFNUTBARFGNMI-RYQLBKOJSA-N 2 1 333.476 1.780 20 0 EDADMP CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471843795 447814866 /nfs/dbraw/zinc/81/48/66/447814866.db2.gz IGNUDQWYHWAXMQ-IAGOWNOFSA-N 2 1 346.475 1.504 20 0 EDADMP CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471843795 447814868 /nfs/dbraw/zinc/81/48/68/447814868.db2.gz IGNUDQWYHWAXMQ-IAGOWNOFSA-N 2 1 346.475 1.504 20 0 EDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000422878193 447770353 /nfs/dbraw/zinc/77/03/53/447770353.db2.gz JIRCQWFTZWFALG-KZNAEPCWSA-N 2 1 338.540 1.830 20 0 EDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000422878193 447770356 /nfs/dbraw/zinc/77/03/56/447770356.db2.gz JIRCQWFTZWFALG-KZNAEPCWSA-N 2 1 338.540 1.830 20 0 EDADMP CCN1CC[NH+](Cc2ccc(N[C@@H](CCC[NH3+])COC)cc2)CC1 ZINC000422923617 447773461 /nfs/dbraw/zinc/77/34/61/447773461.db2.gz SBQWCZCCZALREB-IBGZPJMESA-N 2 1 334.508 1.990 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000430547693 447775739 /nfs/dbraw/zinc/77/57/39/447775739.db2.gz FWNFVCORQKMPTO-LSDHHAIUSA-N 2 1 340.489 1.918 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000430547693 447775742 /nfs/dbraw/zinc/77/57/42/447775742.db2.gz FWNFVCORQKMPTO-LSDHHAIUSA-N 2 1 340.489 1.918 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000422949076 447778810 /nfs/dbraw/zinc/77/88/10/447778810.db2.gz SQKLEDBMNNKIBL-IHETXDGRSA-N 2 1 331.460 1.905 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430593928 447782698 /nfs/dbraw/zinc/78/26/98/447782698.db2.gz UIOBHOMENZWAHP-RCCFBDPRSA-N 2 1 344.503 1.783 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430593928 447782701 /nfs/dbraw/zinc/78/27/01/447782701.db2.gz UIOBHOMENZWAHP-RCCFBDPRSA-N 2 1 344.503 1.783 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471657899 447808630 /nfs/dbraw/zinc/80/86/30/447808630.db2.gz JCYQVNQLAXTHHM-MRXNPFEDSA-N 2 1 328.501 1.232 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000489165389 447852139 /nfs/dbraw/zinc/85/21/39/447852139.db2.gz DZPAFPPBYWQBBE-HOTGVXAUSA-N 2 1 338.496 1.223 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000522830394 447857805 /nfs/dbraw/zinc/85/78/05/447857805.db2.gz LYGWJRGWVJACMG-LJQANCHMSA-N 2 1 342.487 1.848 20 0 EDADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497143359 447888761 /nfs/dbraw/zinc/88/87/61/447888761.db2.gz HZBCHMPEQTZUJK-RKVPGOIHSA-N 2 1 341.496 1.821 20 0 EDADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497143359 447888766 /nfs/dbraw/zinc/88/87/66/447888766.db2.gz HZBCHMPEQTZUJK-RKVPGOIHSA-N 2 1 341.496 1.821 20 0 EDADMP CCc1cc(N2CCC([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)CC2)ncn1 ZINC000569803148 447893209 /nfs/dbraw/zinc/89/32/09/447893209.db2.gz DSPKLNAGEXKVCH-QGZVFWFLSA-N 2 1 333.480 1.053 20 0 EDADMP CCc1cc(N2CCC([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)CC2)ncn1 ZINC000569803148 447893213 /nfs/dbraw/zinc/89/32/13/447893213.db2.gz DSPKLNAGEXKVCH-QGZVFWFLSA-N 2 1 333.480 1.053 20 0 EDADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000525002129 447964480 /nfs/dbraw/zinc/96/44/80/447964480.db2.gz BNFDMEAVPGCSAD-ZWKOTPCHSA-N 2 1 325.497 1.284 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000525002129 447964486 /nfs/dbraw/zinc/96/44/86/447964486.db2.gz BNFDMEAVPGCSAD-ZWKOTPCHSA-N 2 1 325.497 1.284 20 0 EDADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)COc1ccc2ccccc2c1 ZINC000570161990 447956346 /nfs/dbraw/zinc/95/63/46/447956346.db2.gz CFFNIUUBLFFVRN-OALUTQOASA-N 2 1 344.455 1.626 20 0 EDADMP CC[N@@H+]1CCc2nc(NC(=O)c3ccn(CC[NH+](C)C)n3)sc2C1 ZINC000570174418 447960284 /nfs/dbraw/zinc/96/02/84/447960284.db2.gz ZIIYPNVYVCPHDK-UHFFFAOYSA-N 2 1 348.476 1.532 20 0 EDADMP CC[N@H+]1CCc2nc(NC(=O)c3ccn(CC[NH+](C)C)n3)sc2C1 ZINC000570174418 447960285 /nfs/dbraw/zinc/96/02/85/447960285.db2.gz ZIIYPNVYVCPHDK-UHFFFAOYSA-N 2 1 348.476 1.532 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1C ZINC000530962084 447991931 /nfs/dbraw/zinc/99/19/31/447991931.db2.gz KIBDCRAXLITITC-AWEZNQCLSA-N 2 1 334.468 1.113 20 0 EDADMP CCC(CC)[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)N1CCOCC1 ZINC000525670397 448008623 /nfs/dbraw/zinc/00/86/23/448008623.db2.gz JZOQIMUWOIAMLN-AEFFLSMTSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000497276868 448030183 /nfs/dbraw/zinc/03/01/83/448030183.db2.gz OORJOJOZGDEFCD-AEFFLSMTSA-N 2 1 336.480 1.275 20 0 EDADMP O=c1c2ccccc2ncn1CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000570698204 448053562 /nfs/dbraw/zinc/05/35/62/448053562.db2.gz INMXGGJGRFPSFX-QAPCUYQASA-N 2 1 326.444 1.861 20 0 EDADMP O=c1c2ccccc2ncn1CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000570698204 448053567 /nfs/dbraw/zinc/05/35/67/448053567.db2.gz INMXGGJGRFPSFX-QAPCUYQASA-N 2 1 326.444 1.861 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000576451151 448057853 /nfs/dbraw/zinc/05/78/53/448057853.db2.gz OJZULJWCDSIVGZ-FZCLSBEQSA-N 2 1 330.476 1.804 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000570851838 448075356 /nfs/dbraw/zinc/07/53/56/448075356.db2.gz NGHAHGLIIHWIPK-UHFFFAOYSA-N 2 1 326.485 1.271 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981559 448090154 /nfs/dbraw/zinc/09/01/54/448090154.db2.gz QWXYVGRHILIBFP-STQMWFEESA-N 2 1 348.413 1.931 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000531482902 448091069 /nfs/dbraw/zinc/09/10/69/448091069.db2.gz QZYPUDWLBNSNIF-OXFYSEKESA-N 2 1 343.471 1.365 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000531482902 448091075 /nfs/dbraw/zinc/09/10/75/448091075.db2.gz QZYPUDWLBNSNIF-OXFYSEKESA-N 2 1 343.471 1.365 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000531482902 448091083 /nfs/dbraw/zinc/09/10/83/448091083.db2.gz QZYPUDWLBNSNIF-OXFYSEKESA-N 2 1 343.471 1.365 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000531482901 448091166 /nfs/dbraw/zinc/09/11/66/448091166.db2.gz QZYPUDWLBNSNIF-MDYRTPRTSA-N 2 1 343.471 1.365 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000531482901 448091173 /nfs/dbraw/zinc/09/11/73/448091173.db2.gz QZYPUDWLBNSNIF-MDYRTPRTSA-N 2 1 343.471 1.365 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000531482901 448091179 /nfs/dbraw/zinc/09/11/79/448091179.db2.gz QZYPUDWLBNSNIF-MDYRTPRTSA-N 2 1 343.471 1.365 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[NH+](C)C1 ZINC000503765251 448107098 /nfs/dbraw/zinc/10/70/98/448107098.db2.gz NINVCXVFRNEYGP-BZSNNMDCSA-N 2 1 337.508 1.961 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[N@H+](C)C1 ZINC000503765251 448107102 /nfs/dbraw/zinc/10/71/02/448107102.db2.gz NINVCXVFRNEYGP-BZSNNMDCSA-N 2 1 337.508 1.961 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[N@@H+](C)C1 ZINC000503765251 448107106 /nfs/dbraw/zinc/10/71/06/448107106.db2.gz NINVCXVFRNEYGP-BZSNNMDCSA-N 2 1 337.508 1.961 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000570784414 448063193 /nfs/dbraw/zinc/06/31/93/448063193.db2.gz DJNXYZZFGKXMSJ-FGTMMUONSA-N 2 1 346.475 1.234 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000511918855 448154729 /nfs/dbraw/zinc/15/47/29/448154729.db2.gz IJGDBVCFIGGKSI-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000511918855 448154734 /nfs/dbraw/zinc/15/47/34/448154734.db2.gz IJGDBVCFIGGKSI-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP CC(C)(C)c1ccc(OCCC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000571298604 448131542 /nfs/dbraw/zinc/13/15/42/448131542.db2.gz GEHNIROTHAGOOJ-FUHWJXTLSA-N 2 1 345.487 1.997 20 0 EDADMP CC(C)(C)c1ccc(OCCC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000571298604 448131548 /nfs/dbraw/zinc/13/15/48/448131548.db2.gz GEHNIROTHAGOOJ-FUHWJXTLSA-N 2 1 345.487 1.997 20 0 EDADMP C[N@@H+](C[C@H](O)CNC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000571315363 448135734 /nfs/dbraw/zinc/13/57/34/448135734.db2.gz GQJBULYAUSAFOA-AVVWSFFYSA-N 2 1 349.441 1.836 20 0 EDADMP C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000576801595 448141833 /nfs/dbraw/zinc/14/18/33/448141833.db2.gz WSRQKHWMIZNKFD-CABCVRRESA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000571611028 448176774 /nfs/dbraw/zinc/17/67/74/448176774.db2.gz CHWGRNTZVCMRCC-JKSUJKDBSA-N 2 1 339.528 1.042 20 0 EDADMP CC1(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[NH2+]CC1 ZINC000571640990 448185160 /nfs/dbraw/zinc/18/51/60/448185160.db2.gz WLSIFGAVECCMFL-QGZVFWFLSA-N 2 1 330.476 1.800 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)CC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000527253810 448195105 /nfs/dbraw/zinc/19/51/05/448195105.db2.gz IPZBGPJWRNBTHC-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC000527253810 448195107 /nfs/dbraw/zinc/19/51/07/448195107.db2.gz IPZBGPJWRNBTHC-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC000527253810 448195111 /nfs/dbraw/zinc/19/51/11/448195111.db2.gz IPZBGPJWRNBTHC-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532172557 448212057 /nfs/dbraw/zinc/21/20/57/448212057.db2.gz MGMMXUGBTNZANH-DJIMGWMZSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532172557 448212062 /nfs/dbraw/zinc/21/20/62/448212062.db2.gz MGMMXUGBTNZANH-DJIMGWMZSA-N 2 1 336.480 1.166 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000571766181 448203260 /nfs/dbraw/zinc/20/32/60/448203260.db2.gz CZOYVEGWVMBTJO-IBGZPJMESA-N 2 1 348.491 1.528 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000571777534 448205762 /nfs/dbraw/zinc/20/57/62/448205762.db2.gz VTCWLDZVYKZPNB-BPQIPLTHSA-N 2 1 346.475 1.327 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1csc(CC[NH3+])n1 ZINC000582421684 448234784 /nfs/dbraw/zinc/23/47/84/448234784.db2.gz MAFOTQXWYUYSHY-UHFFFAOYSA-N 2 1 340.493 1.075 20 0 EDADMP CC(C)NC(=O)NCCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000571914017 448235695 /nfs/dbraw/zinc/23/56/95/448235695.db2.gz YORBBWIINCSEEJ-CALCHBBNSA-N 2 1 339.528 1.184 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](O)C3(C)C)CC2)CC1 ZINC000582430310 448237216 /nfs/dbraw/zinc/23/72/16/448237216.db2.gz UMDMBJZTIDVEAT-KRWDZBQOSA-N 2 1 337.508 1.555 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)/C=C\c1ccc(O)cc1 ZINC000492618740 448238733 /nfs/dbraw/zinc/23/87/33/448238733.db2.gz ZDFMGHOPEALNLT-TWGQIWQCSA-N 2 1 331.460 1.890 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CC=CCC2)C[C@H](C)O1 ZINC000527507746 448241874 /nfs/dbraw/zinc/24/18/74/448241874.db2.gz RXMZSUIGUBBZPU-HOTGVXAUSA-N 2 1 338.496 1.435 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CC=CCC2)C[C@H](C)O1 ZINC000527507746 448241882 /nfs/dbraw/zinc/24/18/82/448241882.db2.gz RXMZSUIGUBBZPU-HOTGVXAUSA-N 2 1 338.496 1.435 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000577347232 448269554 /nfs/dbraw/zinc/26/95/54/448269554.db2.gz IOYSQUCCZBCTBE-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NC1C[NH2+]C1 ZINC000577475409 448306235 /nfs/dbraw/zinc/30/62/35/448306235.db2.gz XEKKHOYCXQLZJP-KRWDZBQOSA-N 2 1 330.476 1.730 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000577498623 448313252 /nfs/dbraw/zinc/31/32/52/448313252.db2.gz BWXKYFGFLBRHMQ-FHLIZLRMSA-N 2 1 334.464 1.346 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000577498623 448313258 /nfs/dbraw/zinc/31/32/58/448313258.db2.gz BWXKYFGFLBRHMQ-FHLIZLRMSA-N 2 1 334.464 1.346 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[NH2+]1 ZINC000582833022 448351739 /nfs/dbraw/zinc/35/17/39/448351739.db2.gz BJYQQGHZUYTDQJ-QAPCUYQASA-N 2 1 346.475 1.823 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC(F)(F)CN)C1 ZINC000515870040 448361440 /nfs/dbraw/zinc/36/14/40/448361440.db2.gz JSGGKSJRNKKWQB-OAHLLOKOSA-N 2 1 340.418 1.539 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC(F)(F)C[NH3+])C1 ZINC000515870040 448361456 /nfs/dbraw/zinc/36/14/56/448361456.db2.gz JSGGKSJRNKKWQB-OAHLLOKOSA-N 2 1 340.418 1.539 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)n1C ZINC000527807588 448365183 /nfs/dbraw/zinc/36/51/83/448365183.db2.gz LPZFGRAMPQXWBZ-CQSZACIVSA-N 2 1 334.468 1.302 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)n1C ZINC000527807588 448365187 /nfs/dbraw/zinc/36/51/87/448365187.db2.gz LPZFGRAMPQXWBZ-CQSZACIVSA-N 2 1 334.468 1.302 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H](O)CNCC(C)(C)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000572394510 448367603 /nfs/dbraw/zinc/36/76/03/448367603.db2.gz FKLVIJUHCFVKJK-ZACQAIPSSA-N 2 1 327.513 1.168 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000515635607 448336236 /nfs/dbraw/zinc/33/62/36/448336236.db2.gz ISVLUNPFQWRFRP-HUUCEWRRSA-N 2 1 334.468 1.053 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3ccn(C)n3)CC2)CC1 ZINC000582916132 448380221 /nfs/dbraw/zinc/38/02/21/448380221.db2.gz RNYYEXJPVTZLII-UHFFFAOYSA-N 2 1 333.480 1.579 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000578010983 448439136 /nfs/dbraw/zinc/43/91/36/448439136.db2.gz KMDLTOJUENXBTK-CVEARBPZSA-N 2 1 326.529 1.400 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000578190361 448481860 /nfs/dbraw/zinc/48/18/60/448481860.db2.gz DLSSUTHXWKWZHM-WMZOPIPTSA-N 2 1 345.491 1.612 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)CC2 ZINC000566553704 448505577 /nfs/dbraw/zinc/50/55/77/448505577.db2.gz QZNOJPYZEWGHIK-HNNXBMFYSA-N 2 1 330.432 1.937 20 0 EDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000573091737 448540925 /nfs/dbraw/zinc/54/09/25/448540925.db2.gz TXYFHVIBNIKRBA-INIZCTEOSA-N 2 1 337.439 1.519 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC3(O)CCCC3)CC2)CC1 ZINC000566953858 448590578 /nfs/dbraw/zinc/59/05/78/448590578.db2.gz YFJJGGVSRBSEJE-UHFFFAOYSA-N 2 1 337.508 1.558 20 0 EDADMP C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000540644285 448642386 /nfs/dbraw/zinc/64/23/86/448642386.db2.gz JELKRJQTHLVWHI-DZGCQCFKSA-N 2 1 330.432 1.777 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000567268558 448655052 /nfs/dbraw/zinc/65/50/52/448655052.db2.gz GPYIEVGLGYWJIT-DLBZAZTESA-N 2 1 330.476 1.798 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000578771067 448633955 /nfs/dbraw/zinc/63/39/55/448633955.db2.gz MLSQEQBLUCHTOB-SFHVURJKSA-N 3 1 338.540 1.090 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000518734026 448703350 /nfs/dbraw/zinc/70/33/50/448703350.db2.gz RNVICKFCKQFCNN-KRWDZBQOSA-N 2 1 331.464 1.612 20 0 EDADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000567366539 448677911 /nfs/dbraw/zinc/67/79/11/448677911.db2.gz BKUBAIBDMPZSHR-SQNIBIBYSA-N 2 1 332.492 1.135 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH2+][C@@H]3C)C2)cc(OC)c1 ZINC000567818286 448766368 /nfs/dbraw/zinc/76/63/68/448766368.db2.gz OCFIEKYXJLTZML-XUWXXGDYSA-N 2 1 347.459 1.392 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH2+][C@@H]3C)C2)cc(OC)c1 ZINC000567818286 448766370 /nfs/dbraw/zinc/76/63/70/448766370.db2.gz OCFIEKYXJLTZML-XUWXXGDYSA-N 2 1 347.459 1.392 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000518984737 448728798 /nfs/dbraw/zinc/72/87/98/448728798.db2.gz FPCCIRNHTAEGMA-NVXWUHKLSA-N 2 1 325.497 1.853 20 0 EDADMP CCOC(=O)c1ccc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000573855542 448730220 /nfs/dbraw/zinc/73/02/20/448730220.db2.gz LUWYWRCMSNINSW-UHFFFAOYSA-N 2 1 333.432 1.863 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000573902736 448740205 /nfs/dbraw/zinc/74/02/05/448740205.db2.gz DLOUSDSVYWUCII-UXHICEINSA-N 2 1 349.494 1.829 20 0 EDADMP CN(C(=O)CC[N@H+]1CCc2ccccc2C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000519116238 448743418 /nfs/dbraw/zinc/74/34/18/448743418.db2.gz XYZSABWNLBFVNK-LJQANCHMSA-N 2 1 327.472 1.987 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000567754487 448752235 /nfs/dbraw/zinc/75/22/35/448752235.db2.gz YQWRCGYGPYEVEF-NZSAHSFTSA-N 2 1 344.503 1.943 20 0 EDADMP Cc1cc(CN2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)on1 ZINC000568050203 448807720 /nfs/dbraw/zinc/80/77/20/448807720.db2.gz QLMYGUYNNNYQPL-UHFFFAOYSA-N 2 1 326.444 1.947 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000574170697 448809909 /nfs/dbraw/zinc/80/99/09/448809909.db2.gz RMPGYNZPAWRCLX-GOEBONIOSA-N 2 1 325.522 1.662 20 0 EDADMP CC[NH+]1CCC(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC1 ZINC000546036903 448816986 /nfs/dbraw/zinc/81/69/86/448816986.db2.gz PPAPRJCJXJYOEW-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000568254773 448847611 /nfs/dbraw/zinc/84/76/11/448847611.db2.gz NHCGMTPLCMBLKN-ZBFHGGJFSA-N 2 1 337.420 1.656 20 0 EDADMP O=C(NC[C@H]1COCC[NH2+]1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000529373922 448847687 /nfs/dbraw/zinc/84/76/87/448847687.db2.gz KNURLZAQPRARRN-KRWDZBQOSA-N 2 1 338.496 1.272 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC(=O)NC1CCCC1 ZINC000592492560 448862697 /nfs/dbraw/zinc/86/26/97/448862697.db2.gz AKSDZVNKPJZYHZ-GJZGRUSLSA-N 2 1 336.480 1.466 20 0 EDADMP COCc1ncc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000574539691 448899981 /nfs/dbraw/zinc/89/99/81/448899981.db2.gz SXOJCCCMQLPCJX-UHFFFAOYSA-N 2 1 347.444 1.689 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CCO)C(C)C)CC2)CC1 ZINC000520836339 448936173 /nfs/dbraw/zinc/93/61/73/448936173.db2.gz LTRFXGFNVVFRDP-SFHVURJKSA-N 2 1 339.524 1.706 20 0 EDADMP CC[NH+]1CCN(CCC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000529722132 448936358 /nfs/dbraw/zinc/93/63/58/448936358.db2.gz HKTZZPBDVZKASF-SFHVURJKSA-N 2 1 336.524 1.537 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000529722132 448936364 /nfs/dbraw/zinc/93/63/64/448936364.db2.gz HKTZZPBDVZKASF-SFHVURJKSA-N 2 1 336.524 1.537 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000529722132 448936369 /nfs/dbraw/zinc/93/63/69/448936369.db2.gz HKTZZPBDVZKASF-SFHVURJKSA-N 2 1 336.524 1.537 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC000529830467 448974308 /nfs/dbraw/zinc/97/43/08/448974308.db2.gz GIEJHVMNYHAIOL-AEFFLSMTSA-N 2 1 333.476 1.972 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC000529830467 448974313 /nfs/dbraw/zinc/97/43/13/448974313.db2.gz GIEJHVMNYHAIOL-AEFFLSMTSA-N 2 1 333.476 1.972 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000569440194 449024860 /nfs/dbraw/zinc/02/48/60/449024860.db2.gz RNEGJZPZRSMSPV-MRXNPFEDSA-N 2 1 340.512 1.694 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000569449479 449027331 /nfs/dbraw/zinc/02/73/31/449027331.db2.gz DXDBLNQOXVSDNP-NSHGMRRFSA-N 2 1 343.471 1.176 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000569449479 449027333 /nfs/dbraw/zinc/02/73/33/449027333.db2.gz DXDBLNQOXVSDNP-NSHGMRRFSA-N 2 1 343.471 1.176 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000569449479 449027335 /nfs/dbraw/zinc/02/73/35/449027335.db2.gz DXDBLNQOXVSDNP-NSHGMRRFSA-N 2 1 343.471 1.176 20 0 EDADMP CC(C)O[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000582357660 449073533 /nfs/dbraw/zinc/07/35/33/449073533.db2.gz HCFFMKIJARRHQJ-MSOLQXFVSA-N 2 1 333.476 1.905 20 0 EDADMP CC(C)O[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000582357660 449073536 /nfs/dbraw/zinc/07/35/36/449073536.db2.gz HCFFMKIJARRHQJ-MSOLQXFVSA-N 2 1 333.476 1.905 20 0 EDADMP O=C(NCc1ccccc1-n1ccnc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522305335 449076010 /nfs/dbraw/zinc/07/60/10/449076010.db2.gz GCELKRXOFQNMCS-OAHLLOKOSA-N 2 1 325.416 1.908 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)nc1 ZINC000593731243 449165133 /nfs/dbraw/zinc/16/51/33/449165133.db2.gz VACYODIHZCSAPU-OIISXLGYSA-N 2 1 333.432 1.729 20 0 EDADMP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736193 449170420 /nfs/dbraw/zinc/17/04/20/449170420.db2.gz JNCSPCUZRTYBQV-AFIMGQEJSA-N 2 1 336.480 1.452 20 0 EDADMP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736193 449170421 /nfs/dbraw/zinc/17/04/21/449170421.db2.gz JNCSPCUZRTYBQV-AFIMGQEJSA-N 2 1 336.480 1.452 20 0 EDADMP COC[C@]1(C(=O)OC)CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000595803830 449177181 /nfs/dbraw/zinc/17/71/81/449177181.db2.gz AUXTURFSRDJJJN-SFHVURJKSA-N 2 1 341.496 1.057 20 0 EDADMP COC[C@]1(C(=O)OC)CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000595803830 449177184 /nfs/dbraw/zinc/17/71/84/449177184.db2.gz AUXTURFSRDJJJN-SFHVURJKSA-N 2 1 341.496 1.057 20 0 EDADMP COC(=O)CC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000601956638 449244038 /nfs/dbraw/zinc/24/40/38/449244038.db2.gz SGFZDGHUBSAYRT-HXUWFJFHSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)CC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000601956638 449244045 /nfs/dbraw/zinc/24/40/45/449244045.db2.gz SGFZDGHUBSAYRT-HXUWFJFHSA-N 2 1 346.471 1.899 20 0 EDADMP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000600636438 449467416 /nfs/dbraw/zinc/46/74/16/449467416.db2.gz YBYIKDQUVBQYIM-AWEZNQCLSA-N 2 1 326.466 1.063 20 0 EDADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000600636438 449467441 /nfs/dbraw/zinc/46/74/41/449467441.db2.gz YBYIKDQUVBQYIM-AWEZNQCLSA-N 2 1 326.466 1.063 20 0 EDADMP COC(=O)[C@H]1CCC[C@H](n2cc(CC[NH+]3CCC([NH3+])CC3)nn2)C1 ZINC000600978693 449629838 /nfs/dbraw/zinc/62/98/38/449629838.db2.gz FJWJNDQBAHABIQ-BBRMVZONSA-N 2 1 335.452 1.148 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c4c(nn3C)CCCC4)C2)CC1 ZINC000602481149 449624245 /nfs/dbraw/zinc/62/42/45/449624245.db2.gz FNYHWVMZMPSXDU-QGZVFWFLSA-N 2 1 345.535 1.899 20 0 EDADMP COC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C ZINC000602485099 449627468 /nfs/dbraw/zinc/62/74/68/449627468.db2.gz PYIKBJUFOXLOLA-KRWDZBQOSA-N 2 1 348.491 1.412 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C ZINC000602485099 449627472 /nfs/dbraw/zinc/62/74/72/449627472.db2.gz PYIKBJUFOXLOLA-KRWDZBQOSA-N 2 1 348.491 1.412 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CN1CCCCCCC1=O ZINC000617504669 449651068 /nfs/dbraw/zinc/65/10/68/449651068.db2.gz DWYRWUUNEWXPGL-INIZCTEOSA-N 2 1 340.512 1.167 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CN1CCCCCCC1=O ZINC000617504669 449651075 /nfs/dbraw/zinc/65/10/75/449651075.db2.gz DWYRWUUNEWXPGL-INIZCTEOSA-N 2 1 340.512 1.167 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000602533532 449656553 /nfs/dbraw/zinc/65/65/53/449656553.db2.gz VFMRPIHUONWABS-OAHLLOKOSA-N 2 1 344.459 1.355 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000602533532 449656558 /nfs/dbraw/zinc/65/65/58/449656558.db2.gz VFMRPIHUONWABS-OAHLLOKOSA-N 2 1 344.459 1.355 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000602533532 449656565 /nfs/dbraw/zinc/65/65/65/449656565.db2.gz VFMRPIHUONWABS-OAHLLOKOSA-N 2 1 344.459 1.355 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2[nH][nH]c(=O)c2c1 ZINC000617508172 449658453 /nfs/dbraw/zinc/65/84/53/449658453.db2.gz VZFAWXQTAOLDRN-LBPRGKRZSA-N 2 1 333.436 1.270 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2[nH][nH]c(=O)c2c1 ZINC000617508172 449658460 /nfs/dbraw/zinc/65/84/60/449658460.db2.gz VZFAWXQTAOLDRN-LBPRGKRZSA-N 2 1 333.436 1.270 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)CCN2C1=O ZINC000594737021 449658750 /nfs/dbraw/zinc/65/87/50/449658750.db2.gz VZOGCUZXWDHGOM-GXTWGEPZSA-N 2 1 343.349 1.372 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)CCN2C1=O ZINC000594737021 449658755 /nfs/dbraw/zinc/65/87/55/449658755.db2.gz VZOGCUZXWDHGOM-GXTWGEPZSA-N 2 1 343.349 1.372 20 0 EDADMP COC(=O)c1csc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000602551153 449669043 /nfs/dbraw/zinc/66/90/43/449669043.db2.gz NOLZGGSCJNKPOO-AWEZNQCLSA-N 2 1 326.462 1.861 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000607686985 449634948 /nfs/dbraw/zinc/63/49/48/449634948.db2.gz NUBXZAIBDSYHGK-ZWKOTPCHSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CCC[NH+](C)C1 ZINC000607686985 449634953 /nfs/dbraw/zinc/63/49/53/449634953.db2.gz NUBXZAIBDSYHGK-ZWKOTPCHSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1CCC[NH+](C)C1 ZINC000607686985 449634960 /nfs/dbraw/zinc/63/49/60/449634960.db2.gz NUBXZAIBDSYHGK-ZWKOTPCHSA-N 2 1 330.476 1.846 20 0 EDADMP COC1(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCC(F)(F)CC1 ZINC000617502385 449644846 /nfs/dbraw/zinc/64/48/46/449644846.db2.gz NPASBOMTBAZTIX-AWEZNQCLSA-N 2 1 349.466 1.969 20 0 EDADMP COC1(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCC(F)(F)CC1 ZINC000617502385 449644849 /nfs/dbraw/zinc/64/48/49/449644849.db2.gz NPASBOMTBAZTIX-AWEZNQCLSA-N 2 1 349.466 1.969 20 0 EDADMP C[C@@H](C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)[NH+]1CCCCCC1 ZINC000608351672 449814383 /nfs/dbraw/zinc/81/43/83/449814383.db2.gz MUBYDPPSAXFIFL-ROUUACIJSA-N 2 1 337.508 1.964 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000594944730 449816470 /nfs/dbraw/zinc/81/64/70/449816470.db2.gz VNJBESSTJZEFSG-WQANXHIZSA-N 2 1 346.471 1.931 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)o1 ZINC000608371322 449821433 /nfs/dbraw/zinc/82/14/33/449821433.db2.gz BHXDPKMNJRSCPO-UHFFFAOYSA-N 2 1 345.447 1.817 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC000601275031 449792734 /nfs/dbraw/zinc/79/27/34/449792734.db2.gz DPTJNWXMXNJRJI-OAHLLOKOSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCN(CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000599309231 449880680 /nfs/dbraw/zinc/88/06/80/449880680.db2.gz LXTXMPPWEDRWFS-UHFFFAOYSA-N 2 1 330.476 1.858 20 0 EDADMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000599312976 449883836 /nfs/dbraw/zinc/88/38/36/449883836.db2.gz WMOCGMFXIJGKRP-QGZVFWFLSA-N 2 1 345.491 1.324 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)NC(=O)NCc3ccccc3)C2)CC1 ZINC000602877830 449885426 /nfs/dbraw/zinc/88/54/26/449885426.db2.gz RVDBJZQXZBCODJ-UHFFFAOYSA-N 2 1 344.459 1.430 20 0 EDADMP C[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000612897983 449932917 /nfs/dbraw/zinc/93/29/17/449932917.db2.gz AFXJQRQBUUNIBW-WDYCEAGBSA-N 2 1 330.476 1.948 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000617976325 449959125 /nfs/dbraw/zinc/95/91/25/449959125.db2.gz WEYXMYGBDFISPZ-SFHVURJKSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000625368321 450316540 /nfs/dbraw/zinc/31/65/40/450316540.db2.gz MJAQKTCEJRFCSO-INIZCTEOSA-N 2 1 331.526 1.655 20 0 EDADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000625381897 450323420 /nfs/dbraw/zinc/32/34/20/450323420.db2.gz UXBCMAUOYNDQGQ-QRVBRYPASA-N 2 1 327.472 1.932 20 0 EDADMP C[NH+]1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000625381897 450323423 /nfs/dbraw/zinc/32/34/23/450323423.db2.gz UXBCMAUOYNDQGQ-QRVBRYPASA-N 2 1 327.472 1.932 20 0 EDADMP C[NH+]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000625381897 450323429 /nfs/dbraw/zinc/32/34/29/450323429.db2.gz UXBCMAUOYNDQGQ-QRVBRYPASA-N 2 1 327.472 1.932 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000619900631 450368322 /nfs/dbraw/zinc/36/83/22/450368322.db2.gz XDMLXYPDBXUHHN-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000619900631 450368329 /nfs/dbraw/zinc/36/83/29/450368329.db2.gz XDMLXYPDBXUHHN-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000619900631 450368335 /nfs/dbraw/zinc/36/83/35/450368335.db2.gz XDMLXYPDBXUHHN-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000619900631 450368339 /nfs/dbraw/zinc/36/83/39/450368339.db2.gz XDMLXYPDBXUHHN-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000619900633 450368354 /nfs/dbraw/zinc/36/83/54/450368354.db2.gz XDMLXYPDBXUHHN-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000619900633 450368357 /nfs/dbraw/zinc/36/83/57/450368357.db2.gz XDMLXYPDBXUHHN-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000619900633 450368361 /nfs/dbraw/zinc/36/83/61/450368361.db2.gz XDMLXYPDBXUHHN-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000619900633 450368365 /nfs/dbraw/zinc/36/83/65/450368365.db2.gz XDMLXYPDBXUHHN-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619972810 450389406 /nfs/dbraw/zinc/38/94/06/450389406.db2.gz YJLNKJLUBBHYNO-GVDBMIGSSA-N 2 1 335.492 1.620 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619972810 450389408 /nfs/dbraw/zinc/38/94/08/450389408.db2.gz YJLNKJLUBBHYNO-GVDBMIGSSA-N 2 1 335.492 1.620 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000623403771 450515051 /nfs/dbraw/zinc/51/50/51/450515051.db2.gz GZXHVKJRGKQZDB-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000623403771 450515052 /nfs/dbraw/zinc/51/50/52/450515052.db2.gz GZXHVKJRGKQZDB-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCCCC1 ZINC000620486686 450503582 /nfs/dbraw/zinc/50/35/82/450503582.db2.gz LLQUFJWMJDMVMM-QZTJIDSGSA-N 2 1 337.508 1.555 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623397759 450513316 /nfs/dbraw/zinc/51/33/16/450513316.db2.gz OHGODKAEUOCZMN-SFHVURJKSA-N 2 1 346.519 1.940 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623397759 450513321 /nfs/dbraw/zinc/51/33/21/450513321.db2.gz OHGODKAEUOCZMN-SFHVURJKSA-N 3 1 346.519 1.940 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623397759 450513326 /nfs/dbraw/zinc/51/33/26/450513326.db2.gz OHGODKAEUOCZMN-SFHVURJKSA-N 3 1 346.519 1.940 20 0 EDADMP O[C@@H]1CC[N@H+](CCNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000623759152 450579216 /nfs/dbraw/zinc/57/92/16/450579216.db2.gz APXWSQSNXMDLMI-LJQANCHMSA-N 2 1 335.467 1.489 20 0 EDADMP O[C@@H]1CC[N@@H+](CCNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000623759152 450579219 /nfs/dbraw/zinc/57/92/19/450579219.db2.gz APXWSQSNXMDLMI-LJQANCHMSA-N 2 1 335.467 1.489 20 0 EDADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623866030 450619099 /nfs/dbraw/zinc/61/90/99/450619099.db2.gz IUMHTMGDARLELH-STQMWFEESA-N 2 1 341.463 1.209 20 0 EDADMP CC1([NH+]2CCCC2)CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000633076129 450662048 /nfs/dbraw/zinc/66/20/48/450662048.db2.gz RWVIYIOOLXIMDP-UHFFFAOYSA-N 2 1 340.537 1.695 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000631657764 450700630 /nfs/dbraw/zinc/70/06/30/450700630.db2.gz YYSBAVFZWMCFMF-CQSZACIVSA-N 2 1 329.466 1.288 20 0 EDADMP Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)no1 ZINC000629561566 450735992 /nfs/dbraw/zinc/73/59/92/450735992.db2.gz JKRCUJWEFGTKNC-GHMZBOCLSA-N 2 1 334.342 1.771 20 0 EDADMP Cc1cc(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)no1 ZINC000629561566 450735998 /nfs/dbraw/zinc/73/59/98/450735998.db2.gz JKRCUJWEFGTKNC-GHMZBOCLSA-N 2 1 334.342 1.771 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)C[NH+]1CCCC1 ZINC000629561761 450737092 /nfs/dbraw/zinc/73/70/92/450737092.db2.gz ZYHYLSCJPMDZIF-HUUCEWRRSA-N 2 1 325.403 1.590 20 0 EDADMP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000629577904 450745920 /nfs/dbraw/zinc/74/59/20/450745920.db2.gz LDDNTTDDZQUTNN-UHFFFAOYSA-N 2 1 337.468 1.309 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000629577904 450745923 /nfs/dbraw/zinc/74/59/23/450745923.db2.gz LDDNTTDDZQUTNN-UHFFFAOYSA-N 2 1 337.468 1.309 20 0 EDADMP C[C@@H]1[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC(=O)N1Cc1ccccc1 ZINC000629577784 450746044 /nfs/dbraw/zinc/74/60/44/450746044.db2.gz IYRPXVBMBCXVKX-BPQIPLTHSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CC[N@@H+]1C ZINC000631744493 450746302 /nfs/dbraw/zinc/74/63/02/450746302.db2.gz VIJNFTWYFBJMAN-RRCSTGOVSA-N 2 1 329.510 1.452 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CC[N@H+]1C ZINC000631744493 450746305 /nfs/dbraw/zinc/74/63/05/450746305.db2.gz VIJNFTWYFBJMAN-RRCSTGOVSA-N 2 1 329.510 1.452 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+])cc1F ZINC000629579734 450747027 /nfs/dbraw/zinc/74/70/27/450747027.db2.gz QHCTYTTZAPKNEA-CYBMUJFWSA-N 2 1 341.427 1.088 20 0 EDADMP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000629581304 450748134 /nfs/dbraw/zinc/74/81/34/450748134.db2.gz VOJDSPGHKJBZJU-GOSISDBHSA-N 3 1 347.503 1.706 20 0 EDADMP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000621669287 450824406 /nfs/dbraw/zinc/82/44/06/450824406.db2.gz IXSOXJODJDCCGJ-AEFFLSMTSA-N 2 1 336.524 1.393 20 0 EDADMP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000621669287 450824414 /nfs/dbraw/zinc/82/44/14/450824414.db2.gz IXSOXJODJDCCGJ-AEFFLSMTSA-N 2 1 336.524 1.393 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000631859452 450830436 /nfs/dbraw/zinc/83/04/36/450830436.db2.gz AFBKNRLOZGJUJU-SJLPKXTDSA-N 2 1 330.476 1.061 20 0 EDADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC000629953006 450912141 /nfs/dbraw/zinc/91/21/41/450912141.db2.gz LFNZXEPRWHNAEU-UHFFFAOYSA-N 2 1 332.448 2.000 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000635416083 450923449 /nfs/dbraw/zinc/92/34/49/450923449.db2.gz XSAKPXXQPRQJAB-HNNXBMFYSA-N 2 1 344.459 1.355 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000635416083 450923456 /nfs/dbraw/zinc/92/34/56/450923456.db2.gz XSAKPXXQPRQJAB-HNNXBMFYSA-N 2 1 344.459 1.355 20 0 EDADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO)C1CCC1 ZINC000629979005 450930457 /nfs/dbraw/zinc/93/04/57/450930457.db2.gz NCCBWMABIJQJML-PKOBYXMFSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1CCC1 ZINC000629979005 450930461 /nfs/dbraw/zinc/93/04/61/450930461.db2.gz NCCBWMABIJQJML-PKOBYXMFSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C1CCC1 ZINC000629979005 450930465 /nfs/dbraw/zinc/93/04/65/450930465.db2.gz NCCBWMABIJQJML-PKOBYXMFSA-N 2 1 345.487 1.470 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCn1ccccc1=O ZINC000624650394 450940547 /nfs/dbraw/zinc/94/05/47/450940547.db2.gz XTRPJTWFDPYPBH-KRWDZBQOSA-N 2 1 348.491 1.113 20 0 EDADMP COCc1sccc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000633614906 450944371 /nfs/dbraw/zinc/94/43/71/450944371.db2.gz VWSLCXKTJZEPDT-ZDUSSCGKSA-N 2 1 327.494 1.896 20 0 EDADMP COCc1sccc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000633614906 450944375 /nfs/dbraw/zinc/94/43/75/450944375.db2.gz VWSLCXKTJZEPDT-ZDUSSCGKSA-N 2 1 327.494 1.896 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1)[NH+](C)C ZINC000635467236 450966592 /nfs/dbraw/zinc/96/65/92/450966592.db2.gz KHCRPIJPWUNFMD-UKRRQHHQSA-N 2 1 332.448 1.273 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635467131 450966662 /nfs/dbraw/zinc/96/66/62/450966662.db2.gz YKEVJDURGPIWCQ-ARFHVFGLSA-N 2 1 333.480 1.388 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635467131 450966664 /nfs/dbraw/zinc/96/66/64/450966664.db2.gz YKEVJDURGPIWCQ-ARFHVFGLSA-N 2 1 333.480 1.388 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635467131 450966666 /nfs/dbraw/zinc/96/66/66/450966666.db2.gz YKEVJDURGPIWCQ-ARFHVFGLSA-N 2 1 333.480 1.388 20 0 EDADMP C[NH+]1C[C@H](C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC000627836501 450969562 /nfs/dbraw/zinc/96/95/62/450969562.db2.gz VZHLXTDOXDKFIM-ZSYWTGECSA-N 2 1 327.472 1.884 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000627836501 450969571 /nfs/dbraw/zinc/96/95/71/450969571.db2.gz VZHLXTDOXDKFIM-ZSYWTGECSA-N 2 1 327.472 1.884 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000627836501 450969576 /nfs/dbraw/zinc/96/95/76/450969576.db2.gz VZHLXTDOXDKFIM-ZSYWTGECSA-N 2 1 327.472 1.884 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000635474003 450973656 /nfs/dbraw/zinc/97/36/56/450973656.db2.gz UJFLPJTXFPGIQA-OAHLLOKOSA-N 2 1 349.479 1.065 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000635474003 450973663 /nfs/dbraw/zinc/97/36/63/450973663.db2.gz UJFLPJTXFPGIQA-OAHLLOKOSA-N 2 1 349.479 1.065 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000626953547 451031484 /nfs/dbraw/zinc/03/14/84/451031484.db2.gz VKQGXWROJARYOG-FHLIZLRMSA-N 2 1 330.476 1.873 20 0 EDADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635559148 451058436 /nfs/dbraw/zinc/05/84/36/451058436.db2.gz FREMAFUVQCDVCN-FUHWJXTLSA-N 2 1 336.524 1.393 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635559148 451058444 /nfs/dbraw/zinc/05/84/44/451058444.db2.gz FREMAFUVQCDVCN-FUHWJXTLSA-N 2 1 336.524 1.393 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635559148 451058450 /nfs/dbraw/zinc/05/84/50/451058450.db2.gz FREMAFUVQCDVCN-FUHWJXTLSA-N 2 1 336.524 1.393 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC000635571772 451070159 /nfs/dbraw/zinc/07/01/59/451070159.db2.gz CMUOVZWMKCSDAJ-IKGGRYGDSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC000635571772 451070166 /nfs/dbraw/zinc/07/01/66/451070166.db2.gz CMUOVZWMKCSDAJ-IKGGRYGDSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC000635571772 451070172 /nfs/dbraw/zinc/07/01/72/451070172.db2.gz CMUOVZWMKCSDAJ-IKGGRYGDSA-N 2 1 325.497 1.724 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000627016619 451081983 /nfs/dbraw/zinc/08/19/83/451081983.db2.gz OJCLSXLAUCUZAI-QZTJIDSGSA-N 2 1 346.475 1.185 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC[N@H+]1CCOC ZINC000627202069 451184762 /nfs/dbraw/zinc/18/47/62/451184762.db2.gz NDWKLFLXAANCTF-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP [NH3+]CCCOCCNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000627217285 451193047 /nfs/dbraw/zinc/19/30/47/451193047.db2.gz LJUDBISIAIZQTI-HDICACEKSA-N 2 1 346.475 1.125 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635721296 451197928 /nfs/dbraw/zinc/19/79/28/451197928.db2.gz JPECRYWZDDAQFS-BDXSIMOUSA-N 2 1 335.492 1.713 20 0 EDADMP Cc1c[nH+]cn1C1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632326621 451199234 /nfs/dbraw/zinc/19/92/34/451199234.db2.gz CZASRADCSWVEMQ-UHFFFAOYSA-N 2 1 340.493 1.644 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000640340660 451272342 /nfs/dbraw/zinc/27/23/42/451272342.db2.gz HDEHDKQEKJLWMD-KRWDZBQOSA-N 2 1 334.464 1.138 20 0 EDADMP CC[N@H+]1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000632449526 451297203 /nfs/dbraw/zinc/29/72/03/451297203.db2.gz FPPUDEYOGGURNA-HNNXBMFYSA-N 2 1 339.505 1.853 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C3=CC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000638133045 451305668 /nfs/dbraw/zinc/30/56/68/451305668.db2.gz YTJUOZAPNFFDNZ-HOTGVXAUSA-N 2 1 345.443 1.442 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C3=CC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000638133045 451305673 /nfs/dbraw/zinc/30/56/73/451305673.db2.gz YTJUOZAPNFFDNZ-HOTGVXAUSA-N 2 1 345.443 1.442 20 0 EDADMP CC[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638135626 451308646 /nfs/dbraw/zinc/30/86/46/451308646.db2.gz UUUXRXNZYOJUJL-GBESFXJTSA-N 2 1 343.471 1.830 20 0 EDADMP CC[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638135626 451308652 /nfs/dbraw/zinc/30/86/52/451308652.db2.gz UUUXRXNZYOJUJL-GBESFXJTSA-N 2 1 343.471 1.830 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C[NH+](C)CC(C)(C)C ZINC000635865602 451312210 /nfs/dbraw/zinc/31/22/10/451312210.db2.gz XTDXFTVEVDOZJA-HNNXBMFYSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC000635865602 451312211 /nfs/dbraw/zinc/31/22/11/451312211.db2.gz XTDXFTVEVDOZJA-HNNXBMFYSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635865602 451312213 /nfs/dbraw/zinc/31/22/13/451312213.db2.gz XTDXFTVEVDOZJA-HNNXBMFYSA-N 2 1 325.497 1.676 20 0 EDADMP [NH3+][C@H]1CC=C(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000638138409 451312557 /nfs/dbraw/zinc/31/25/57/451312557.db2.gz AKCYNPOCWQNXIR-INIZCTEOSA-N 2 1 348.878 1.626 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CCO1 ZINC000638170127 451334425 /nfs/dbraw/zinc/33/44/25/451334425.db2.gz DHOZYGDVOVSDKK-GBESFXJTSA-N 2 1 343.471 1.331 20 0 EDADMP COCCCN(C(=O)Cn1cc[nH+]c1C(C)C)C1CC[NH+](C)CC1 ZINC000635945912 451387641 /nfs/dbraw/zinc/38/76/41/451387641.db2.gz JTOFQLBCFPXHPS-UHFFFAOYSA-N 2 1 336.480 1.966 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ncc3n2CCCC3)CC1 ZINC000630809884 451414394 /nfs/dbraw/zinc/41/43/94/451414394.db2.gz ILEBRQUXSDYLBH-UHFFFAOYSA-N 2 1 340.431 1.619 20 0 EDADMP C[NH+](C)Cc1ccnc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000640571530 451416588 /nfs/dbraw/zinc/41/65/88/451416588.db2.gz RYKNMTYLLLXGMZ-MRXNPFEDSA-N 2 1 347.463 1.329 20 0 EDADMP CO[C@]1(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CCOC1 ZINC000638355638 451457973 /nfs/dbraw/zinc/45/79/73/451457973.db2.gz OZWNQSVIBFQZJG-UXHICEINSA-N 2 1 347.503 1.760 20 0 EDADMP COc1cc(OCC[NH+](C)C)ccc1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636045780 451462564 /nfs/dbraw/zinc/46/25/64/451462564.db2.gz YMVXSWPAZFRRSR-AWEZNQCLSA-N 2 1 335.448 1.916 20 0 EDADMP FC(F)(F)c1ccn(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000634686842 451464877 /nfs/dbraw/zinc/46/48/77/451464877.db2.gz SRBJZOTWAHQWJY-CYBMUJFWSA-N 2 1 332.370 1.745 20 0 EDADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638369121 451467113 /nfs/dbraw/zinc/46/71/13/451467113.db2.gz DFJYQCOOCAJNGO-HZPDHXFCSA-N 3 1 332.492 1.612 20 0 EDADMP C[C@](O)(C[C@H](O)C[NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000634702555 451477356 /nfs/dbraw/zinc/47/73/56/451477356.db2.gz IIULUXKHCLAGMQ-IRXDYDNUSA-N 2 1 326.481 1.133 20 0 EDADMP [NH3+]C1(CC(=O)N[C@H](CO)C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638405479 451492792 /nfs/dbraw/zinc/49/27/92/451492792.db2.gz ZZRDBRIEAZZLGP-GOSISDBHSA-N 2 1 345.487 1.647 20 0 EDADMP O[C@@]1(C[NH2+]CC2(CF)CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634716118 451497368 /nfs/dbraw/zinc/49/73/68/451497368.db2.gz OWIMKMGOWYXYCF-LJQANCHMSA-N 2 1 336.451 1.979 20 0 EDADMP O[C@@]1(C[NH2+]CC2(CF)CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716118 451497371 /nfs/dbraw/zinc/49/73/71/451497371.db2.gz OWIMKMGOWYXYCF-LJQANCHMSA-N 2 1 336.451 1.979 20 0 EDADMP O[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000634720855 451501652 /nfs/dbraw/zinc/50/16/52/451501652.db2.gz PUXYPDSOHGDKGZ-RBUKOAKNSA-N 2 1 334.460 1.001 20 0 EDADMP O[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000634720855 451501656 /nfs/dbraw/zinc/50/16/56/451501656.db2.gz PUXYPDSOHGDKGZ-RBUKOAKNSA-N 2 1 334.460 1.001 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000634724394 451505486 /nfs/dbraw/zinc/50/54/86/451505486.db2.gz PBOYQATWQRYCLS-QRQLOZEOSA-N 2 1 328.460 1.602 20 0 EDADMP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000636098368 451514902 /nfs/dbraw/zinc/51/49/02/451514902.db2.gz SFKVETMSYXNZBQ-KSZLIROESA-N 2 1 328.460 1.789 20 0 EDADMP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000636098368 451514905 /nfs/dbraw/zinc/51/49/05/451514905.db2.gz SFKVETMSYXNZBQ-KSZLIROESA-N 2 1 328.460 1.789 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000638513480 451552732 /nfs/dbraw/zinc/55/27/32/451552732.db2.gz MKMCOAZPZBBION-GBESFXJTSA-N 2 1 345.487 1.719 20 0 EDADMP CCN(C(=O)[C@@H]1CCN1Cc1ccc(OC)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000636159587 451554023 /nfs/dbraw/zinc/55/40/23/451554023.db2.gz CZZXECIGECRBSS-AEFFLSMTSA-N 2 1 331.460 1.822 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631055909 451558166 /nfs/dbraw/zinc/55/81/66/451558166.db2.gz HXIZLIMGMIJJOT-CYBMUJFWSA-N 2 1 345.896 1.807 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631055909 451558168 /nfs/dbraw/zinc/55/81/68/451558168.db2.gz HXIZLIMGMIJJOT-CYBMUJFWSA-N 2 1 345.896 1.807 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000638592879 451594746 /nfs/dbraw/zinc/59/47/46/451594746.db2.gz UGURVSDIXQGPIZ-QGZVFWFLSA-N 2 1 337.439 1.485 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000638592879 451594753 /nfs/dbraw/zinc/59/47/53/451594753.db2.gz UGURVSDIXQGPIZ-QGZVFWFLSA-N 2 1 337.439 1.485 20 0 EDADMP [NH3+]CC1(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCOCC1 ZINC000638634338 451622820 /nfs/dbraw/zinc/62/28/20/451622820.db2.gz ORZBNWSRBOGDDU-INIZCTEOSA-N 2 1 349.450 1.662 20 0 EDADMP COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)C[NH3+])cc1 ZINC000638861881 451713838 /nfs/dbraw/zinc/71/38/38/451713838.db2.gz BDMNKBUXJJOVQD-RBUKOAKNSA-N 2 1 339.439 1.738 20 0 EDADMP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000638985170 451746896 /nfs/dbraw/zinc/74/68/96/451746896.db2.gz BCRFSHCNWLAIAU-QGZVFWFLSA-N 2 1 337.427 1.317 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639023106 451753413 /nfs/dbraw/zinc/75/34/13/451753413.db2.gz RSLPLQYTLHLZOB-SQNIBIBYSA-N 2 1 330.476 1.046 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@@H]3CCC4(CCCC4)O3)nn2)CC1 ZINC000641151760 451763204 /nfs/dbraw/zinc/76/32/04/451763204.db2.gz PPDQLNMTFJXEHD-KRWDZBQOSA-N 2 1 333.480 1.736 20 0 EDADMP C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000646720416 451807869 /nfs/dbraw/zinc/80/78/69/451807869.db2.gz RRGHSOIITDZMOJ-GOSISDBHSA-N 2 1 330.476 1.752 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646795496 451845465 /nfs/dbraw/zinc/84/54/65/451845465.db2.gz MWTCPQRRXNIPBT-SFHVURJKSA-N 2 1 333.476 1.560 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)Cn1c[nH+]c3c1CCCC3)CCO2 ZINC000649131274 451864095 /nfs/dbraw/zinc/86/40/95/451864095.db2.gz FSWJPQDSIKIBJX-UHFFFAOYSA-N 2 1 332.448 1.085 20 0 EDADMP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)CN1CCOCC1 ZINC000644572196 451869116 /nfs/dbraw/zinc/86/91/16/451869116.db2.gz SDBKUNJLCDFYGE-MJGOQNOKSA-N 2 1 335.492 1.037 20 0 EDADMP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)CN1CCOCC1 ZINC000644572196 451869125 /nfs/dbraw/zinc/86/91/25/451869125.db2.gz SDBKUNJLCDFYGE-MJGOQNOKSA-N 2 1 335.492 1.037 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642645154 451904914 /nfs/dbraw/zinc/90/49/14/451904914.db2.gz SPPAXQVCZZDETF-HOTGVXAUSA-N 2 1 338.496 1.016 20 0 EDADMP COCCOC[C@@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639506719 451912192 /nfs/dbraw/zinc/91/21/92/451912192.db2.gz REVAHMDIZDFLMA-WOJBJXKFSA-N 2 1 348.487 1.608 20 0 EDADMP COCCOC[C@@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639506719 451912199 /nfs/dbraw/zinc/91/21/99/451912199.db2.gz REVAHMDIZDFLMA-WOJBJXKFSA-N 2 1 348.487 1.608 20 0 EDADMP COCCOC[C@@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639506719 451912205 /nfs/dbraw/zinc/91/22/05/451912205.db2.gz REVAHMDIZDFLMA-WOJBJXKFSA-N 2 1 348.487 1.608 20 0 EDADMP COCCOC[C@@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639506719 451912210 /nfs/dbraw/zinc/91/22/10/451912210.db2.gz REVAHMDIZDFLMA-WOJBJXKFSA-N 2 1 348.487 1.608 20 0 EDADMP O[C@H](CNc1ccc(CC[NH+]2CCCC2)cc1)C[NH+]1CCOCC1 ZINC000644689760 451940142 /nfs/dbraw/zinc/94/01/42/451940142.db2.gz VAPNIQGLPMUMMZ-LJQANCHMSA-N 2 1 333.476 1.430 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000642732711 451942628 /nfs/dbraw/zinc/94/26/28/451942628.db2.gz VFBPMQSYOOWMDG-HNNXBMFYSA-N 2 1 338.496 1.016 20 0 EDADMP COCCOC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639492685 451900385 /nfs/dbraw/zinc/90/03/85/451900385.db2.gz ZTNAUXGNZAREIS-HXUWFJFHSA-N 2 1 348.487 1.751 20 0 EDADMP COCCOC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639492685 451900393 /nfs/dbraw/zinc/90/03/93/451900393.db2.gz ZTNAUXGNZAREIS-HXUWFJFHSA-N 2 1 348.487 1.751 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000642753711 451951963 /nfs/dbraw/zinc/95/19/63/451951963.db2.gz XYWADRCWCHXZLX-NUWOQIAWSA-N 2 1 338.496 1.100 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCOCC1 ZINC000649285017 451957755 /nfs/dbraw/zinc/95/77/55/451957755.db2.gz UIHQKQXMDSFZPB-HUUCEWRRSA-N 2 1 347.450 1.484 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@]1(COC)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000649285061 451958930 /nfs/dbraw/zinc/95/89/30/451958930.db2.gz ZCTLPEQMXLVQTE-WMZOPIPTSA-N 2 1 341.496 1.008 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)[C@H](C)C1 ZINC000639589602 451960962 /nfs/dbraw/zinc/96/09/62/451960962.db2.gz POKRCUPZCBCQOM-NJAFHUGGSA-N 2 1 337.508 1.866 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)[C@H](C)C1 ZINC000639589602 451960968 /nfs/dbraw/zinc/96/09/68/451960968.db2.gz POKRCUPZCBCQOM-NJAFHUGGSA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000649308508 451985131 /nfs/dbraw/zinc/98/51/31/451985131.db2.gz LBZKPRRXFGGHQB-MRXNPFEDSA-N 2 1 344.459 1.402 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(N)CC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000649321642 451999455 /nfs/dbraw/zinc/99/94/55/451999455.db2.gz JOTPKKOFMKJNLF-SZVBFZGTSA-N 2 1 330.476 1.189 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(N)CC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000649321642 451999460 /nfs/dbraw/zinc/99/94/60/451999460.db2.gz JOTPKKOFMKJNLF-SZVBFZGTSA-N 2 1 330.476 1.189 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(N)CC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000649321642 451999465 /nfs/dbraw/zinc/99/94/65/451999465.db2.gz JOTPKKOFMKJNLF-SZVBFZGTSA-N 2 1 330.476 1.189 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2([NH3+])CCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000649321642 451999466 /nfs/dbraw/zinc/99/94/66/451999466.db2.gz JOTPKKOFMKJNLF-SZVBFZGTSA-N 2 1 330.476 1.189 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2([NH3+])CCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000649321642 451999472 /nfs/dbraw/zinc/99/94/72/451999472.db2.gz JOTPKKOFMKJNLF-SZVBFZGTSA-N 2 1 330.476 1.189 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000647009723 452003236 /nfs/dbraw/zinc/00/32/36/452003236.db2.gz IFLRIIUMTJWORK-JJTUDDRGSA-N 2 1 325.497 1.706 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000647009723 452003241 /nfs/dbraw/zinc/00/32/41/452003241.db2.gz IFLRIIUMTJWORK-JJTUDDRGSA-N 2 1 325.497 1.706 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649332181 452013719 /nfs/dbraw/zinc/01/37/19/452013719.db2.gz CRVTZUTXCJSRFN-CYBMUJFWSA-N 2 1 340.374 1.370 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000649344981 452026211 /nfs/dbraw/zinc/02/62/11/452026211.db2.gz BKXXLTOHFZJZRT-CYBMUJFWSA-N 2 1 328.416 1.736 20 0 EDADMP Cn1ccnc1[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000653590935 452029878 /nfs/dbraw/zinc/02/98/78/452029878.db2.gz HHANFJBPDLYJGR-CYBMUJFWSA-N 2 1 342.399 1.967 20 0 EDADMP [NH3+]CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C(F)(F)F ZINC000647083854 452050674 /nfs/dbraw/zinc/05/06/74/452050674.db2.gz YYBPBJJKTCXAEW-KBPBESRZSA-N 2 1 344.381 1.690 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649378551 452052523 /nfs/dbraw/zinc/05/25/23/452052523.db2.gz IVDZSPTXAQEDSU-FUHWJXTLSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3ncccn3n2)CC1 ZINC000644935182 452071893 /nfs/dbraw/zinc/07/18/93/452071893.db2.gz DSQOZXYTCAGLFL-UHFFFAOYSA-N 2 1 337.387 1.128 20 0 EDADMP Cc1cc(C)n(-c2ccc(C[N@@H+](C)CCN3CC[NH2+]CC3)cc2)n1 ZINC000649409625 452074490 /nfs/dbraw/zinc/07/44/90/452074490.db2.gz FQWAPGLAUXXCIV-UHFFFAOYSA-N 2 1 327.476 1.826 20 0 EDADMP CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3cccc(C)c3)CC2)CC[C@@H]1[NH3+] ZINC000649416880 452079165 /nfs/dbraw/zinc/07/91/65/452079165.db2.gz OQZZFBGKJJGFRK-MJGOQNOKSA-N 2 1 344.503 1.703 20 0 EDADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3cccc(C)c3)CC2)CC[C@@H]1[NH3+] ZINC000649416880 452079171 /nfs/dbraw/zinc/07/91/71/452079171.db2.gz OQZZFBGKJJGFRK-MJGOQNOKSA-N 2 1 344.503 1.703 20 0 EDADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3nc(-c4ccccn4)no3)CC2)C1 ZINC000649420591 452082191 /nfs/dbraw/zinc/08/21/91/452082191.db2.gz CBTAOQJCCLEHDW-HOCLYGCPSA-N 2 1 343.431 1.850 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000643301881 452124726 /nfs/dbraw/zinc/12/47/26/452124726.db2.gz HGSPQXQYUPDZAE-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000643301881 452124734 /nfs/dbraw/zinc/12/47/34/452124734.db2.gz HGSPQXQYUPDZAE-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP C[C@@H]1C[NH+](CCN2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)C[C@@H](C)O1 ZINC000639880834 452216709 /nfs/dbraw/zinc/21/67/09/452216709.db2.gz SDHYDHBXMNSPFM-KURKYZTESA-N 2 1 339.524 1.671 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)n2C ZINC000654066223 452233049 /nfs/dbraw/zinc/23/30/49/452233049.db2.gz OXWHFDYSXFDYSX-TXEJJXNPSA-N 2 1 330.436 1.104 20 0 EDADMP C[C@@H](CCCO)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638005868 452243470 /nfs/dbraw/zinc/24/34/70/452243470.db2.gz ZTHPSOPFHDKFST-INIZCTEOSA-N 2 1 333.476 1.647 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000647522568 452256985 /nfs/dbraw/zinc/25/69/85/452256985.db2.gz ODWKXIISKLCQNL-WOJBJXKFSA-N 2 1 328.456 1.673 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000647522568 452256996 /nfs/dbraw/zinc/25/69/96/452256996.db2.gz ODWKXIISKLCQNL-WOJBJXKFSA-N 2 1 328.456 1.673 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000641801433 452276959 /nfs/dbraw/zinc/27/69/59/452276959.db2.gz CDRIENIEGFWYEE-CVEARBPZSA-N 2 1 334.439 1.190 20 0 EDADMP COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000647550783 452277508 /nfs/dbraw/zinc/27/75/08/452277508.db2.gz GPUSKJYZKXJXGN-MAUKXSAKSA-N 2 1 345.487 1.816 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[NH2+][C@H]3C[C@H]([NH3+])C3(C)C)CC2)c1 ZINC000641802798 452277965 /nfs/dbraw/zinc/27/79/65/452277965.db2.gz OXZUZDPYEPYPPL-IRXDYDNUSA-N 2 1 330.476 1.359 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccccc1N1CCCC1=O ZINC000641803060 452277980 /nfs/dbraw/zinc/27/79/80/452277980.db2.gz CRSSYFPPBQDKDS-CABCVRRESA-N 2 1 330.432 1.467 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000641805579 452283309 /nfs/dbraw/zinc/28/33/09/452283309.db2.gz NXIINTVHODJXFP-ZIAGYGMSSA-N 2 1 348.838 1.575 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000661514321 452322915 /nfs/dbraw/zinc/32/29/15/452322915.db2.gz LZSXJGUUTUAPPK-HNNXBMFYSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@]1(C)CCO[C@H]1C1CC1 ZINC000665760731 452331266 /nfs/dbraw/zinc/33/12/66/452331266.db2.gz ODEMAXBKARMPAH-QILLFSRXSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@]1(C)CCO[C@H]1C1CC1 ZINC000665760731 452331270 /nfs/dbraw/zinc/33/12/70/452331270.db2.gz ODEMAXBKARMPAH-QILLFSRXSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCc2ncsc2C1 ZINC000665761622 452335882 /nfs/dbraw/zinc/33/58/82/452335882.db2.gz KTDZTSVBSHBIHG-ZDUSSCGKSA-N 2 1 339.509 1.483 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCc2ncsc2C1 ZINC000665761622 452335887 /nfs/dbraw/zinc/33/58/87/452335887.db2.gz KTDZTSVBSHBIHG-ZDUSSCGKSA-N 2 1 339.509 1.483 20 0 EDADMP [NH3+]C1(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CCCC1 ZINC000659481289 452341820 /nfs/dbraw/zinc/34/18/20/452341820.db2.gz XGWNWABQZVPWMM-KRWDZBQOSA-N 2 1 346.475 1.324 20 0 EDADMP Cc1nn(-c2ccncc2)cc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573741 452342844 /nfs/dbraw/zinc/34/28/44/452342844.db2.gz RWVMDEQVKDGCBM-INIZCTEOSA-N 2 1 344.507 1.937 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)C1 ZINC000652152487 452344347 /nfs/dbraw/zinc/34/43/47/452344347.db2.gz ORCIITIYCTTWJI-AIANPOQGSA-N 2 1 336.480 1.151 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000659485403 452346505 /nfs/dbraw/zinc/34/65/05/452346505.db2.gz PYCKQQXYJMNMNT-GDBMZVCRSA-N 2 1 336.505 1.511 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000659485403 452346511 /nfs/dbraw/zinc/34/65/11/452346511.db2.gz PYCKQQXYJMNMNT-GDBMZVCRSA-N 2 1 336.505 1.511 20 0 EDADMP CCO[C@@H]1CN(C(=O)NCC[N@H+]2CCCC[C@H]2CC)C[C@H]1C[NH3+] ZINC000652154828 452347074 /nfs/dbraw/zinc/34/70/74/452347074.db2.gz PLABEXQDQLORDX-BZUAXINKSA-N 2 1 326.485 1.256 20 0 EDADMP Cc1noc([C@@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000665763779 452350506 /nfs/dbraw/zinc/35/05/06/452350506.db2.gz LLTQYVXYDIMAPK-QWHCGFSZSA-N 2 1 340.472 1.352 20 0 EDADMP Cc1noc([C@@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000665763779 452350518 /nfs/dbraw/zinc/35/05/18/452350518.db2.gz LLTQYVXYDIMAPK-QWHCGFSZSA-N 2 1 340.472 1.352 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NCCC3(C[NH3+])CC3)CC2)nc(C)[nH+]1 ZINC000652164091 452359346 /nfs/dbraw/zinc/35/93/46/452359346.db2.gz DTENDTKIKMRLIP-UHFFFAOYSA-N 2 1 346.479 1.490 20 0 EDADMP [NH3+]C[C@@]1(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCCOC1 ZINC000638068546 452374586 /nfs/dbraw/zinc/37/45/86/452374586.db2.gz CMMLBGAENQNRQQ-IBGZPJMESA-N 2 1 331.460 1.307 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)CC1 ZINC000649913656 452384854 /nfs/dbraw/zinc/38/48/54/452384854.db2.gz RGJQUTORNBUZSM-IAGOWNOFSA-N 2 1 325.497 1.281 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)CC1 ZINC000649913656 452384861 /nfs/dbraw/zinc/38/48/61/452384861.db2.gz RGJQUTORNBUZSM-IAGOWNOFSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)C[NH+]1CCCCC1 ZINC000638077545 452389430 /nfs/dbraw/zinc/38/94/30/452389430.db2.gz ULOSOSGBTJBTDP-IEBWSBKVSA-N 2 1 346.519 1.684 20 0 EDADMP C[C@H](CNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1)C[NH+]1CCCCC1 ZINC000638077545 452389436 /nfs/dbraw/zinc/38/94/36/452389436.db2.gz ULOSOSGBTJBTDP-IEBWSBKVSA-N 2 1 346.519 1.684 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638079356 452394760 /nfs/dbraw/zinc/39/47/60/452394760.db2.gz SMIXFGGDAIPPIQ-ZWKOTPCHSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638079356 452394766 /nfs/dbraw/zinc/39/47/66/452394766.db2.gz SMIXFGGDAIPPIQ-ZWKOTPCHSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638079356 452394776 /nfs/dbraw/zinc/39/47/76/452394776.db2.gz SMIXFGGDAIPPIQ-ZWKOTPCHSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638079356 452394784 /nfs/dbraw/zinc/39/47/84/452394784.db2.gz SMIXFGGDAIPPIQ-ZWKOTPCHSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638079356 452394792 /nfs/dbraw/zinc/39/47/92/452394792.db2.gz SMIXFGGDAIPPIQ-ZWKOTPCHSA-N 2 1 332.492 1.292 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659536064 452395779 /nfs/dbraw/zinc/39/57/79/452395779.db2.gz DXKNYFWQPWBTHK-NVXWUHKLSA-N 2 1 330.476 1.935 20 0 EDADMP COc1cccc([C@H]([NH3+])C(=O)NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000638080477 452395958 /nfs/dbraw/zinc/39/59/58/452395958.db2.gz NVUSMNMKJRMMEE-SFHVURJKSA-N 2 1 327.428 1.943 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000659540365 452399494 /nfs/dbraw/zinc/39/94/94/452399494.db2.gz RRXIKUCGYZATIL-OLMNPRSZSA-N 2 1 346.475 1.050 20 0 EDADMP C[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](C)[C@H]2CO)[C@@H]1CO ZINC000640057063 452399922 /nfs/dbraw/zinc/39/99/22/452399922.db2.gz QJVVSHPYSRMBIA-BRSBDYLESA-N 2 1 328.497 1.189 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[NH2+]1 ZINC000659544886 452403554 /nfs/dbraw/zinc/40/35/54/452403554.db2.gz YINBMLACWFGKKK-QKPAOTATSA-N 2 1 336.480 1.070 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652224244 452417582 /nfs/dbraw/zinc/41/75/82/452417582.db2.gz WCVGXYQMCFJNON-KURKYZTESA-N 2 1 330.476 1.682 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652224244 452417589 /nfs/dbraw/zinc/41/75/89/452417589.db2.gz WCVGXYQMCFJNON-KURKYZTESA-N 2 1 330.476 1.682 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000647707661 452440964 /nfs/dbraw/zinc/44/09/64/452440964.db2.gz BGXQNBCQCFVXDU-LZQZEXGQSA-N 2 1 343.471 1.101 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000647707661 452440973 /nfs/dbraw/zinc/44/09/73/452440973.db2.gz BGXQNBCQCFVXDU-LZQZEXGQSA-N 2 1 343.471 1.101 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000647707661 452440979 /nfs/dbraw/zinc/44/09/79/452440979.db2.gz BGXQNBCQCFVXDU-LZQZEXGQSA-N 2 1 343.471 1.101 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000647707661 452440988 /nfs/dbraw/zinc/44/09/88/452440988.db2.gz BGXQNBCQCFVXDU-LZQZEXGQSA-N 2 1 343.471 1.101 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@](O)(C2CC2)C1)c1ccccc1 ZINC000661629676 452449911 /nfs/dbraw/zinc/44/99/11/452449911.db2.gz ZZZBWRNZHIZQRM-AZUAARDMSA-N 2 1 345.487 1.642 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000655680198 452507043 /nfs/dbraw/zinc/50/70/43/452507043.db2.gz JOKXMGHTACDUCW-CVEARBPZSA-N 2 1 326.485 1.007 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)C[NH2+]C ZINC000659646706 452507908 /nfs/dbraw/zinc/50/79/08/452507908.db2.gz PRUDLBLADIEFNS-WBVHZDCISA-N 2 1 333.480 1.685 20 0 EDADMP CC[C@H]1C[N@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC[C@@H]1[NH3+] ZINC000652341074 452513635 /nfs/dbraw/zinc/51/36/35/452513635.db2.gz ZSCLBCGRPUCMTL-YOEHRIQHSA-N 2 1 337.489 1.687 20 0 EDADMP CC[C@H]1C[N@@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC[C@@H]1[NH3+] ZINC000652341074 452513640 /nfs/dbraw/zinc/51/36/40/452513640.db2.gz ZSCLBCGRPUCMTL-YOEHRIQHSA-N 2 1 337.489 1.687 20 0 EDADMP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000652354725 452532942 /nfs/dbraw/zinc/53/29/42/452532942.db2.gz GJFDIGPGFFNZOY-CRAIPNDOSA-N 2 1 333.476 1.899 20 0 EDADMP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000652354725 452532954 /nfs/dbraw/zinc/53/29/54/452532954.db2.gz GJFDIGPGFFNZOY-CRAIPNDOSA-N 2 1 333.476 1.899 20 0 EDADMP C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)COC[C@H]1CCOC1 ZINC000655716093 452533779 /nfs/dbraw/zinc/53/37/79/452533779.db2.gz RSPUCXLETKNDCF-AEFFLSMTSA-N 2 1 326.481 1.663 20 0 EDADMP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655721105 452538165 /nfs/dbraw/zinc/53/81/65/452538165.db2.gz LBQVIGVVZJAHAX-ZWKOTPCHSA-N 3 1 327.513 1.576 20 0 EDADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655734034 452544997 /nfs/dbraw/zinc/54/49/97/452544997.db2.gz XVNDQRJEJNCDRQ-CEXWTWQISA-N 2 1 337.508 1.207 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC2CC[NH+](C[C@H]3CCCO3)CC2)CCCO1 ZINC000655760011 452562907 /nfs/dbraw/zinc/56/29/07/452562907.db2.gz UVNSJPUZLKTFTE-PKOBYXMFSA-N 3 1 339.524 1.720 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NC1(c2ccccc2)CCC1 ZINC000647835876 452573657 /nfs/dbraw/zinc/57/36/57/452573657.db2.gz SPIJIQXYTJJSCA-UHFFFAOYSA-N 2 1 330.476 1.019 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NC1(c2ccccc2)CCC1 ZINC000647835876 452573667 /nfs/dbraw/zinc/57/36/67/452573667.db2.gz SPIJIQXYTJJSCA-UHFFFAOYSA-N 2 1 330.476 1.019 20 0 EDADMP O=C(N[C@@H]1CCN(c2ccccn2)C1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654506152 452580418 /nfs/dbraw/zinc/58/04/18/452580418.db2.gz PCXQGPAHOLRCKE-IKGGRYGDSA-N 2 1 343.475 1.976 20 0 EDADMP COC[C@@H](CC1CCOCC1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000657870323 452580800 /nfs/dbraw/zinc/58/08/00/452580800.db2.gz DYKRNSGDDIOKRQ-LJQANCHMSA-N 2 1 341.540 1.681 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663887286 452611916 /nfs/dbraw/zinc/61/19/16/452611916.db2.gz GZAADMOOYXQHNP-YOEHRIQHSA-N 2 1 349.479 1.068 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000663887286 452611923 /nfs/dbraw/zinc/61/19/23/452611923.db2.gz GZAADMOOYXQHNP-YOEHRIQHSA-N 2 1 349.479 1.068 20 0 EDADMP O=S(=O)(NC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000647880327 452618159 /nfs/dbraw/zinc/61/81/59/452618159.db2.gz HUMVRHGFHLDUMP-ZDUSSCGKSA-N 2 1 341.452 1.178 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)c1 ZINC000655912473 452670848 /nfs/dbraw/zinc/67/08/48/452670848.db2.gz OMHDMEGQJLSEFT-CQSZACIVSA-N 2 1 344.381 1.712 20 0 EDADMP C[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000655915148 452674676 /nfs/dbraw/zinc/67/46/76/452674676.db2.gz ROXARRWWEHNKGT-SMDDNHRTSA-N 2 1 344.381 1.622 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655916049 452677532 /nfs/dbraw/zinc/67/75/32/452677532.db2.gz ZKZUDCKADMEKSW-GRYCIOLGSA-N 2 1 338.418 1.932 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000661946902 452703750 /nfs/dbraw/zinc/70/37/50/452703750.db2.gz CXTUULQSFITHCA-DLBZAZTESA-N 2 1 338.496 1.225 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000645718640 452719673 /nfs/dbraw/zinc/71/96/73/452719673.db2.gz QYNVZLKOODWRAO-XUWVNRHRSA-N 2 1 348.495 1.126 20 0 EDADMP O=c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2ccccn12 ZINC000647975684 452721469 /nfs/dbraw/zinc/72/14/69/452721469.db2.gz DMXYYDJPJSUEHC-JKSUJKDBSA-N 2 1 326.444 1.906 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C(C)(C)n1cncn1 ZINC000658138381 452745649 /nfs/dbraw/zinc/74/56/49/452745649.db2.gz MRCXYQOTBDZHJR-MAUKXSAKSA-N 2 1 343.475 1.758 20 0 EDADMP Cc1c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)nnn1C1CC[NH2+]CC1 ZINC000648157828 452867565 /nfs/dbraw/zinc/86/75/65/452867565.db2.gz HWUMTFWMIIKCSI-GDBMZVCRSA-N 2 1 346.479 1.067 20 0 EDADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153983 452891309 /nfs/dbraw/zinc/89/13/09/452891309.db2.gz VTQUKVJLTKAJCN-INIZCTEOSA-N 2 1 349.450 1.994 20 0 EDADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153983 452891320 /nfs/dbraw/zinc/89/13/20/452891320.db2.gz VTQUKVJLTKAJCN-INIZCTEOSA-N 2 1 349.450 1.994 20 0 EDADMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C1 ZINC000662160109 452898959 /nfs/dbraw/zinc/89/89/59/452898959.db2.gz MMDRZESGJYHMPX-IBGZPJMESA-N 2 1 326.444 1.903 20 0 EDADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C1 ZINC000662160109 452898965 /nfs/dbraw/zinc/89/89/65/452898965.db2.gz MMDRZESGJYHMPX-IBGZPJMESA-N 2 1 326.444 1.903 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650708762 452945915 /nfs/dbraw/zinc/94/59/15/452945915.db2.gz LKEVHBZQVWKKCT-LPHOPBHVSA-N 2 1 331.460 1.714 20 0 EDADMP c1nnc([C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)[nH]1 ZINC000656261718 452996408 /nfs/dbraw/zinc/99/64/08/452996408.db2.gz DKZPNDIHAUGTKM-ZWKOTPCHSA-N 2 1 341.459 1.780 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000662283023 453008336 /nfs/dbraw/zinc/00/83/36/453008336.db2.gz ZOHGMBFZFQHPQI-BRWVUGGUSA-N 2 1 336.480 1.166 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327830 453044778 /nfs/dbraw/zinc/04/47/78/453044778.db2.gz WLZXUCHTQDRCDP-UHFFFAOYSA-N 2 1 333.480 1.534 20 0 EDADMP CCN(CC)C(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327502 453045715 /nfs/dbraw/zinc/04/57/15/453045715.db2.gz PWKMURLNYQWRDE-UHFFFAOYSA-N 2 1 347.507 1.925 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000660120169 453047186 /nfs/dbraw/zinc/04/71/86/453047186.db2.gz DRJJLXCONKSUIE-SOLBZPMBSA-N 2 1 336.524 1.378 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000660120169 453047189 /nfs/dbraw/zinc/04/71/89/453047189.db2.gz DRJJLXCONKSUIE-SOLBZPMBSA-N 2 1 336.524 1.378 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000660120169 453047194 /nfs/dbraw/zinc/04/71/94/453047194.db2.gz DRJJLXCONKSUIE-SOLBZPMBSA-N 2 1 336.524 1.378 20 0 EDADMP CC(C)OCCC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338279 453056128 /nfs/dbraw/zinc/05/61/28/453056128.db2.gz PVYRYTOGSDDBCI-INIZCTEOSA-N 2 1 335.496 1.814 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666699167 453077732 /nfs/dbraw/zinc/07/77/32/453077732.db2.gz YVKNVZBBHLXXTP-KGLIPLIRSA-N 2 1 332.448 1.320 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000662367517 453078611 /nfs/dbraw/zinc/07/86/11/453078611.db2.gz AYFIQQYVSIWCRS-DAYGRLMNSA-N 2 1 331.460 1.837 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662382785 453093191 /nfs/dbraw/zinc/09/31/91/453093191.db2.gz QNAHMSHBXQPJJG-UHFFFAOYSA-N 2 1 344.459 1.010 20 0 EDADMP C[C@H](CNC(=O)c1cc(C2CC[NH2+]CC2)no1)[N@H+]1CCC[C@H](C)C1 ZINC000662386683 453096998 /nfs/dbraw/zinc/09/69/98/453096998.db2.gz DPWCVTRQIIVVGQ-UONOGXRCSA-N 2 1 334.464 1.992 20 0 EDADMP Cc1cnccc1C[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000648533271 453130252 /nfs/dbraw/zinc/13/02/52/453130252.db2.gz NYSVOOMSEFDFLV-HOTGVXAUSA-N 2 1 344.438 1.953 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662421800 453131015 /nfs/dbraw/zinc/13/10/15/453131015.db2.gz PBDSNRQQGMKWDD-CQSZACIVSA-N 2 1 334.464 1.992 20 0 EDADMP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000655032184 453154402 /nfs/dbraw/zinc/15/44/02/453154402.db2.gz HFNDWLYZEOOCTC-HNNXBMFYSA-N 2 1 331.464 1.713 20 0 EDADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000655032184 453154407 /nfs/dbraw/zinc/15/44/07/453154407.db2.gz HFNDWLYZEOOCTC-HNNXBMFYSA-N 2 1 331.464 1.713 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1 ZINC000648614134 453163181 /nfs/dbraw/zinc/16/31/81/453163181.db2.gz ZPRRWNQSYWVZBZ-OALUTQOASA-N 2 1 333.476 1.532 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000655048103 453169043 /nfs/dbraw/zinc/16/90/43/453169043.db2.gz ORUPWMJIWWGRGV-ZWKOTPCHSA-N 2 1 348.491 1.255 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000655048103 453169048 /nfs/dbraw/zinc/16/90/48/453169048.db2.gz ORUPWMJIWWGRGV-ZWKOTPCHSA-N 2 1 348.491 1.255 20 0 EDADMP C[C@H](CNC(=O)N(C)Cc1c[nH]cn1)[N@H+]1CCc2ccccc2C1 ZINC000660281584 453170538 /nfs/dbraw/zinc/17/05/38/453170538.db2.gz GTKRMSWAWRHRAT-CQSZACIVSA-N 2 1 327.432 1.998 20 0 EDADMP C[C@H](CNC(=O)N(C)Cc1cnc[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000660281584 453170546 /nfs/dbraw/zinc/17/05/46/453170546.db2.gz GTKRMSWAWRHRAT-CQSZACIVSA-N 2 1 327.432 1.998 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000660298327 453188054 /nfs/dbraw/zinc/18/80/54/453188054.db2.gz USNXXBBWUZLSAX-CVEARBPZSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000660298327 453188061 /nfs/dbraw/zinc/18/80/61/453188061.db2.gz USNXXBBWUZLSAX-CVEARBPZSA-N 2 1 340.512 1.515 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000662475762 453189431 /nfs/dbraw/zinc/18/94/31/453189431.db2.gz OSAKSRQJZQWVID-IRXDYDNUSA-N 2 1 346.475 1.789 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662498609 453213950 /nfs/dbraw/zinc/21/39/50/453213950.db2.gz RMZKSYJWLVGKQK-AWEZNQCLSA-N 2 1 334.464 1.849 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000662531857 453255157 /nfs/dbraw/zinc/25/51/57/453255157.db2.gz KBHFRLRGHVNFNB-RVKKMQEKSA-N 2 1 331.460 1.789 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000662531857 453255167 /nfs/dbraw/zinc/25/51/67/453255167.db2.gz KBHFRLRGHVNFNB-RVKKMQEKSA-N 2 1 331.460 1.789 20 0 EDADMP CN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000653111130 453297929 /nfs/dbraw/zinc/29/79/29/453297929.db2.gz FMHRSEHFJYLELV-QZTJIDSGSA-N 3 1 332.492 1.388 20 0 EDADMP CCN(C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000666978710 453299022 /nfs/dbraw/zinc/29/90/22/453299022.db2.gz BYYHMCVQRCWZDC-IRXDYDNUSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000666978305 453299558 /nfs/dbraw/zinc/29/95/58/453299558.db2.gz WJVBGVXJAPNMOI-DLBZAZTESA-N 2 1 338.496 1.364 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653122825 453315716 /nfs/dbraw/zinc/31/57/16/453315716.db2.gz FLODUXUIECZXOW-RTBURBONSA-N 2 1 346.519 1.636 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H](N)CC[NH+](C)C)cc2)C1 ZINC000653123136 453316057 /nfs/dbraw/zinc/31/60/57/453316057.db2.gz OXCHTBUWYCDTQV-MAUKXSAKSA-N 2 1 348.491 1.625 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[NH2+][C@@H](C(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000646328515 453323299 /nfs/dbraw/zinc/32/32/99/453323299.db2.gz DMYJCNMRZBTITA-YYIAUSFCSA-N 2 1 325.497 1.577 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[NH2+][C@@H](C(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000646328515 453323302 /nfs/dbraw/zinc/32/33/02/453323302.db2.gz DMYJCNMRZBTITA-YYIAUSFCSA-N 2 1 325.497 1.577 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000651201201 453355158 /nfs/dbraw/zinc/35/51/58/453355158.db2.gz FWIODRKAPNDHHQ-JQHSSLGASA-N 2 1 337.508 1.581 20 0 EDADMP [NH3+]C1(CNC(=O)[C@@H]2CCC[NH2+]CC2)CCN(Cc2ccccc2)CC1 ZINC000653164430 453357327 /nfs/dbraw/zinc/35/73/27/453357327.db2.gz LPLMSYWBDYTWIH-GOSISDBHSA-N 2 1 344.503 1.486 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000655247102 453371314 /nfs/dbraw/zinc/37/13/14/453371314.db2.gz SIKWSUXEHATGCC-SCTDSRPQSA-N 2 1 331.460 1.080 20 0 EDADMP Cc1cc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cn2cc[nH+]c12 ZINC000646413600 453374569 /nfs/dbraw/zinc/37/45/69/453374569.db2.gz JNDNSIALYGETTR-UHFFFAOYSA-N 2 1 343.431 1.971 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000664758946 453384334 /nfs/dbraw/zinc/38/43/34/453384334.db2.gz QZLGJPJXYJDSOH-INIZCTEOSA-N 2 1 342.528 1.907 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)C1 ZINC000662675624 453392333 /nfs/dbraw/zinc/39/23/33/453392333.db2.gz NVSFGWBTQUFPGP-AYOQOUSVSA-N 2 1 345.487 1.899 20 0 EDADMP [NH3+]C1(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC2(CCC2)C1 ZINC000662675578 453392658 /nfs/dbraw/zinc/39/26/58/453392658.db2.gz PWQUKNQUQAERLI-UHFFFAOYSA-N 2 1 343.471 1.797 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662680656 453400648 /nfs/dbraw/zinc/40/06/48/453400648.db2.gz XUCMIWIEYOQBEE-MRXNPFEDSA-N 2 1 341.377 1.703 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662690576 453410076 /nfs/dbraw/zinc/41/00/76/453410076.db2.gz BGUOKFFWERKFIZ-OAHLLOKOSA-N 2 1 327.375 1.192 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662704591 453426399 /nfs/dbraw/zinc/42/63/99/453426399.db2.gz FCBZYONOCPKQBB-GVDBMIGSSA-N 2 1 337.508 1.757 20 0 EDADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000651295859 453443503 /nfs/dbraw/zinc/44/35/03/453443503.db2.gz QSGWFJMELWCKSJ-KSZLIROESA-N 2 1 335.492 1.334 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1COc2ccccc21 ZINC000664914959 453480273 /nfs/dbraw/zinc/48/02/73/453480273.db2.gz CUGOOVUHKLXHJI-HOTGVXAUSA-N 2 1 348.491 1.734 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1COc2ccccc21 ZINC000664914959 453480278 /nfs/dbraw/zinc/48/02/78/453480278.db2.gz CUGOOVUHKLXHJI-HOTGVXAUSA-N 2 1 348.491 1.734 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664919451 453484287 /nfs/dbraw/zinc/48/42/87/453484287.db2.gz GGCSORQFPVMBPR-SJORKVTESA-N 2 1 342.528 1.859 20 0 EDADMP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH+](CCc2cccs2)CC1 ZINC000655444653 453531391 /nfs/dbraw/zinc/53/13/91/453531391.db2.gz MFXVZXFJCHRWFE-FUHWJXTLSA-N 2 1 333.501 1.825 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000667328041 453561172 /nfs/dbraw/zinc/56/11/72/453561172.db2.gz CJQZUNYTJXFTPY-GUDVDZBRSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000667328041 453561178 /nfs/dbraw/zinc/56/11/78/453561178.db2.gz CJQZUNYTJXFTPY-GUDVDZBRSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000667328041 453561184 /nfs/dbraw/zinc/56/11/84/453561184.db2.gz CJQZUNYTJXFTPY-GUDVDZBRSA-N 2 1 342.487 1.997 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000667332231 453565959 /nfs/dbraw/zinc/56/59/59/453565959.db2.gz WVVIDBRWVXWHLW-IBGZPJMESA-N 2 1 342.487 1.998 20 0 EDADMP O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662857581 453574280 /nfs/dbraw/zinc/57/42/80/453574280.db2.gz BKKQASGKVBEFGW-AEFFLSMTSA-N 2 1 331.460 1.259 20 0 EDADMP CCN1CC[NH+](CCC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000662885747 453587567 /nfs/dbraw/zinc/58/75/67/453587567.db2.gz WFFCBFNQDJWAFQ-SFHVURJKSA-N 2 1 346.475 1.314 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1C[C@@H](C)O[C@@H]1C ZINC000665146265 453588959 /nfs/dbraw/zinc/58/89/59/453588959.db2.gz UPQNXMFZCFPJRL-ZJIFWQFVSA-N 2 1 328.501 1.371 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659034598 453591830 /nfs/dbraw/zinc/59/18/30/453591830.db2.gz OWNHGOYXZFQQRI-IRXDYDNUSA-N 2 1 348.447 1.190 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000660829454 453592796 /nfs/dbraw/zinc/59/27/96/453592796.db2.gz GFBLXVROXOXGHD-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000660829454 453592802 /nfs/dbraw/zinc/59/28/02/453592802.db2.gz GFBLXVROXOXGHD-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000660829454 453592806 /nfs/dbraw/zinc/59/28/06/453592806.db2.gz GFBLXVROXOXGHD-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659041361 453596463 /nfs/dbraw/zinc/59/64/63/453596463.db2.gz HXDCYRNHXOUOKL-KRWDZBQOSA-N 2 1 348.447 1.191 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000662940598 453616063 /nfs/dbraw/zinc/61/60/63/453616063.db2.gz MXOGRJJLOGJBRI-RTBURBONSA-N 2 1 344.503 1.309 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000662940598 453616066 /nfs/dbraw/zinc/61/60/66/453616066.db2.gz MXOGRJJLOGJBRI-RTBURBONSA-N 2 1 344.503 1.309 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000665289325 453637168 /nfs/dbraw/zinc/63/71/68/453637168.db2.gz LKQGXXCNUXGCOD-QZTJIDSGSA-N 2 1 330.476 1.711 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000665289325 453637170 /nfs/dbraw/zinc/63/71/70/453637170.db2.gz LKQGXXCNUXGCOD-QZTJIDSGSA-N 2 1 330.476 1.711 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000665363961 453668265 /nfs/dbraw/zinc/66/82/65/453668265.db2.gz GNZKLTJCHOSJFO-HZPDHXFCSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000659264012 453691536 /nfs/dbraw/zinc/69/15/36/453691536.db2.gz IROQEVZFOCLUFE-OFQRWUPVSA-N 2 1 339.505 2.000 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000659287678 453702829 /nfs/dbraw/zinc/70/28/29/453702829.db2.gz RVEVWGQWARKPPZ-SZMVWBNQSA-N 2 1 333.476 1.908 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659302935 453707841 /nfs/dbraw/zinc/70/78/41/453707841.db2.gz RANXIULDBMZLTP-SFYZADRCSA-N 2 1 344.278 1.923 20 0 EDADMP C[C@@H](CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[NH+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000661203482 453757611 /nfs/dbraw/zinc/75/76/11/453757611.db2.gz NYOQYKTVFLDPGS-JPPDAWHYSA-N 2 1 336.520 1.951 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCn2cccc2[C@@H]1C ZINC000665637211 453777944 /nfs/dbraw/zinc/77/79/44/453777944.db2.gz YARYMDPNJFLCID-HOTGVXAUSA-N 2 1 335.496 1.846 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCn2cccc2[C@@H]1C ZINC000665637211 453777947 /nfs/dbraw/zinc/77/79/47/453777947.db2.gz YARYMDPNJFLCID-HOTGVXAUSA-N 2 1 335.496 1.846 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361427 453799547 /nfs/dbraw/zinc/79/95/47/453799547.db2.gz MCGMCXPOZNNRIT-LVQVYYBASA-N 2 1 326.485 1.268 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361427 453799553 /nfs/dbraw/zinc/79/95/53/453799553.db2.gz MCGMCXPOZNNRIT-LVQVYYBASA-N 2 1 326.485 1.268 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361427 453799554 /nfs/dbraw/zinc/79/95/54/453799554.db2.gz MCGMCXPOZNNRIT-LVQVYYBASA-N 2 1 326.485 1.268 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361427 453799556 /nfs/dbraw/zinc/79/95/56/453799556.db2.gz MCGMCXPOZNNRIT-LVQVYYBASA-N 2 1 326.485 1.268 20 0 EDADMP CCN(C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663480841 453805702 /nfs/dbraw/zinc/80/57/02/453805702.db2.gz UDPOJTPOPCGOJL-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP CCN(C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CC[NH+](CC)C1 ZINC000663480841 453805704 /nfs/dbraw/zinc/80/57/04/453805704.db2.gz UDPOJTPOPCGOJL-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP CCN(C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CC[NH+](CC)C1 ZINC000663480841 453805706 /nfs/dbraw/zinc/80/57/06/453805706.db2.gz UDPOJTPOPCGOJL-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1CCN(C(=O)COC2(C)C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000382767265 486695729 /nfs/dbraw/zinc/69/57/29/486695729.db2.gz WVSHSXFBGQSFOJ-MRXNPFEDSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000676244540 486705095 /nfs/dbraw/zinc/70/50/95/486705095.db2.gz BWMKDFYDEYGAHX-OWCLPIDISA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C[NH+]1CCCCC1 ZINC000676244540 486705098 /nfs/dbraw/zinc/70/50/98/486705098.db2.gz BWMKDFYDEYGAHX-OWCLPIDISA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CCC(Nc2nc(N[C@@H]3CCCOC3)cc[nH+]2)CC1 ZINC000435347226 486712161 /nfs/dbraw/zinc/71/21/61/486712161.db2.gz YCOFPXKBSDLFCM-OAHLLOKOSA-N 2 1 335.452 1.590 20 0 EDADMP COC1CC[NH+](CCNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000683420256 486713989 /nfs/dbraw/zinc/71/39/89/486713989.db2.gz CYRNAELYJQXCED-INIZCTEOSA-N 2 1 338.496 1.413 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH+](C[C@H]2CCCO2)CC1 ZINC000672740148 486786790 /nfs/dbraw/zinc/78/67/90/486786790.db2.gz TUJYZQAAHIVKQU-QZTJIDSGSA-N 2 1 337.508 1.964 20 0 EDADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000672740148 486786793 /nfs/dbraw/zinc/78/67/93/486786793.db2.gz TUJYZQAAHIVKQU-QZTJIDSGSA-N 2 1 337.508 1.964 20 0 EDADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000672740148 486786795 /nfs/dbraw/zinc/78/67/95/486786795.db2.gz TUJYZQAAHIVKQU-QZTJIDSGSA-N 2 1 337.508 1.964 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)NCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000673872502 487142391 /nfs/dbraw/zinc/14/23/91/487142391.db2.gz YVCSGYCFKNLKEJ-UHFFFAOYSA-N 2 1 344.463 1.698 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(C)CCC1 ZINC000684842032 487175438 /nfs/dbraw/zinc/17/54/38/487175438.db2.gz ZRVNZEPRBSRATO-MRXNPFEDSA-N 2 1 345.553 1.854 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(C)CCC1 ZINC000684842032 487175442 /nfs/dbraw/zinc/17/54/42/487175442.db2.gz ZRVNZEPRBSRATO-MRXNPFEDSA-N 2 1 345.553 1.854 20 0 EDADMP Cc1cc(NC(=O)N[C@H]2CCC[N@@H+](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000674318933 487236093 /nfs/dbraw/zinc/23/60/93/487236093.db2.gz KINUKEVVPPMHFJ-AWEZNQCLSA-N 2 1 334.468 1.674 20 0 EDADMP O=C1CC[C@@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN12 ZINC000678224052 487268321 /nfs/dbraw/zinc/26/83/21/487268321.db2.gz RRQRPPDQSRKTBA-GOSISDBHSA-N 2 1 343.471 1.968 20 0 EDADMP O=C1CC[C@@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN12 ZINC000678224052 487268324 /nfs/dbraw/zinc/26/83/24/487268324.db2.gz RRQRPPDQSRKTBA-GOSISDBHSA-N 2 1 343.471 1.968 20 0 EDADMP C[C@H]([NH2+][C@]1(C)CCO[C@@H]1C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000683146897 487455202 /nfs/dbraw/zinc/45/52/02/487455202.db2.gz QUCUOGZLBXEUCG-WBQJQJEBSA-N 2 1 345.487 1.923 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)NC/C=C/C[NH3+])C2)cc(OC)c1 ZINC000669526081 485497127 /nfs/dbraw/zinc/49/71/27/485497127.db2.gz XXNJOYMSYSPYEU-BWPKMQGJSA-N 2 1 348.447 1.092 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)NC/C=C/C[NH3+])C2)cc(OC)c1 ZINC000669526081 485497134 /nfs/dbraw/zinc/49/71/34/485497134.db2.gz XXNJOYMSYSPYEU-BWPKMQGJSA-N 2 1 348.447 1.092 20 0 EDADMP C[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000669538207 485518955 /nfs/dbraw/zinc/51/89/55/485518955.db2.gz DPPNYPTZESCVBN-NVXWUHKLSA-N 2 1 334.464 1.266 20 0 EDADMP C[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538207 485518964 /nfs/dbraw/zinc/51/89/64/485518964.db2.gz DPPNYPTZESCVBN-NVXWUHKLSA-N 2 1 334.464 1.266 20 0 EDADMP Cc1ccc(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(N2CCCC2)[nH+]1 ZINC000669555751 485557694 /nfs/dbraw/zinc/55/76/94/485557694.db2.gz FYPBHAOPSOEHLU-BBRMVZONSA-N 2 1 331.464 1.787 20 0 EDADMP CN(CC[NH3+])C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000669556919 485560066 /nfs/dbraw/zinc/56/00/66/485560066.db2.gz NUEMGYGDCNRJFN-OKZBNKHCSA-N 2 1 330.476 1.887 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N[C@@H]1CCC[NH2+]C1 ZINC000669570465 485589617 /nfs/dbraw/zinc/58/96/17/485589617.db2.gz VUXIFZJFVORMCC-QZTJIDSGSA-N 2 1 346.475 1.329 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)C(C)C ZINC000668348535 485616437 /nfs/dbraw/zinc/61/64/37/485616437.db2.gz WLLZQMDTDAAUQF-HNNXBMFYSA-N 2 1 340.512 1.210 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000669091488 485638400 /nfs/dbraw/zinc/63/84/00/485638400.db2.gz KVYSGNPOIKFYEZ-HNNXBMFYSA-N 2 1 349.479 1.077 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000669091488 485638405 /nfs/dbraw/zinc/63/84/05/485638405.db2.gz KVYSGNPOIKFYEZ-HNNXBMFYSA-N 2 1 349.479 1.077 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000668436821 485749231 /nfs/dbraw/zinc/74/92/31/485749231.db2.gz OYOGCNYNEGTJRD-OALUTQOASA-N 2 1 345.487 1.703 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000669306367 485951266 /nfs/dbraw/zinc/95/12/66/485951266.db2.gz QGNXBUYDARHOQU-GDBMZVCRSA-N 2 1 326.485 1.399 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)NC/C=C/C[NH3+])[C@@H](c2ccccc2)C1 ZINC000669347611 485996029 /nfs/dbraw/zinc/99/60/29/485996029.db2.gz SDIUNGZHFDNARY-DUMMIQTOSA-N 2 1 345.491 1.179 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)NC/C=C/C[NH3+])[C@@H](c2ccccc2)C1 ZINC000669347611 485996038 /nfs/dbraw/zinc/99/60/38/485996038.db2.gz SDIUNGZHFDNARY-DUMMIQTOSA-N 2 1 345.491 1.179 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)NC/C=C/C[NH3+])[C@@H](c2ccccc2)C1 ZINC000669347611 485996039 /nfs/dbraw/zinc/99/60/39/485996039.db2.gz SDIUNGZHFDNARY-DUMMIQTOSA-N 2 1 345.491 1.179 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCOCC2)[C@@H](C)C1 ZINC000678601659 486044975 /nfs/dbraw/zinc/04/49/75/486044975.db2.gz BPVSRIASYDOPQC-IRXDYDNUSA-N 2 1 328.497 1.909 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000669420514 486141068 /nfs/dbraw/zinc/14/10/68/486141068.db2.gz NTQFRQDZTDNALE-SJLPKXTDSA-N 2 1 330.476 1.935 20 0 EDADMP O=C1NC[C@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN12 ZINC000091865608 491201210 /nfs/dbraw/zinc/20/12/10/491201210.db2.gz SOVFWEWXUSQPFZ-KRWDZBQOSA-N 2 1 344.459 1.371 20 0 EDADMP O=C1NC[C@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN12 ZINC000091865608 491201214 /nfs/dbraw/zinc/20/12/14/491201214.db2.gz SOVFWEWXUSQPFZ-KRWDZBQOSA-N 2 1 344.459 1.371 20 0 EDADMP CN(CCC(=O)NCCCN1CCC[N@@H+](C)CC1)c1cc[nH+]cc1 ZINC000679408790 491011203 /nfs/dbraw/zinc/01/12/03/491011203.db2.gz ODTUDACSVBSODC-UHFFFAOYSA-N 2 1 333.480 1.052 20 0 EDADMP CN(CCC(=O)NCCC[N@@H+]1CCCN(C)CC1)c1cc[nH+]cc1 ZINC000679408790 491011206 /nfs/dbraw/zinc/01/12/06/491011206.db2.gz ODTUDACSVBSODC-UHFFFAOYSA-N 2 1 333.480 1.052 20 0 EDADMP CN(CCC(=O)NCCC[N@H+]1CCCN(C)CC1)c1cc[nH+]cc1 ZINC000679408790 491011208 /nfs/dbraw/zinc/01/12/08/491011208.db2.gz ODTUDACSVBSODC-UHFFFAOYSA-N 2 1 333.480 1.052 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C1CC1 ZINC000132726483 534025669 /nfs/dbraw/zinc/02/56/69/534025669.db2.gz FMORXNZIXRKJIK-MAUKXSAKSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C1CC1 ZINC000132726483 534025677 /nfs/dbraw/zinc/02/56/77/534025677.db2.gz FMORXNZIXRKJIK-MAUKXSAKSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)[N@H+](C)C1CC1 ZINC000132726483 534025690 /nfs/dbraw/zinc/02/56/90/534025690.db2.gz FMORXNZIXRKJIK-MAUKXSAKSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)[N@@H+](C)C1CC1 ZINC000132726483 534025697 /nfs/dbraw/zinc/02/56/97/534025697.db2.gz FMORXNZIXRKJIK-MAUKXSAKSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H](C(=O)N1CC[C@H](C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000178571778 534292926 /nfs/dbraw/zinc/29/29/26/534292926.db2.gz PVZQQCYDBYCPNK-HUUCEWRRSA-N 2 1 334.439 1.143 20 0 EDADMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc2c(c1)CCO2 ZINC000178669874 529158997 /nfs/dbraw/zinc/15/89/97/529158997.db2.gz LUXPIYACFILNLK-QGZVFWFLSA-N 2 1 331.460 1.826 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000339612020 535065563 /nfs/dbraw/zinc/06/55/63/535065563.db2.gz HJQNKIGSISWQPN-HOTGVXAUSA-N 2 1 340.512 1.020 20 0 EDADMP CC(C)n1nccc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261787889 535146833 /nfs/dbraw/zinc/14/68/33/535146833.db2.gz FZYJCJAYHHCYGP-NVXWUHKLSA-N 2 1 333.480 1.544 20 0 EDADMP CC(CN1CC[NH+](CC2CC2)CC1)C[NH+]1CCN(CC2CC2)CC1 ZINC000346445262 535175526 /nfs/dbraw/zinc/17/55/26/535175526.db2.gz YRXAMKPDNKLCMD-UHFFFAOYSA-N 2 1 334.552 1.678 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@H]1[NH3+] ZINC000262108950 535343623 /nfs/dbraw/zinc/34/36/23/535343623.db2.gz VOVVRTOVLGSXGK-DLBZAZTESA-N 2 1 331.460 1.473 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@H]1[NH3+] ZINC000262108950 535343627 /nfs/dbraw/zinc/34/36/27/535343627.db2.gz VOVVRTOVLGSXGK-DLBZAZTESA-N 2 1 331.460 1.473 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COc1ccc(O)cc1 ZINC000345235127 535594699 /nfs/dbraw/zinc/59/46/99/535594699.db2.gz XLMKWZQWYSYHII-INIZCTEOSA-N 2 1 349.475 1.646 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[NH+](CC)C(C)C)CC[N@H+]1CCOC ZINC000347064308 535735876 /nfs/dbraw/zinc/73/58/76/535735876.db2.gz GMOUITMGACJMLV-KRWDZBQOSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[N@H+](CC)C(C)C)CC[NH+]1CCOC ZINC000347064308 535735883 /nfs/dbraw/zinc/73/58/83/535735883.db2.gz GMOUITMGACJMLV-KRWDZBQOSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[N@@H+](CC)C(C)C)CC[NH+]1CCOC ZINC000347064308 535735887 /nfs/dbraw/zinc/73/58/87/535735887.db2.gz GMOUITMGACJMLV-KRWDZBQOSA-N 2 1 342.528 1.859 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246064695 535765266 /nfs/dbraw/zinc/76/52/66/535765266.db2.gz BQZOJUQKHROOAK-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246064695 535765269 /nfs/dbraw/zinc/76/52/69/535765269.db2.gz BQZOJUQKHROOAK-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000246064695 535765274 /nfs/dbraw/zinc/76/52/74/535765274.db2.gz BQZOJUQKHROOAK-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000246064695 535765277 /nfs/dbraw/zinc/76/52/77/535765277.db2.gz BQZOJUQKHROOAK-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP CCc1cnc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000346693540 536034873 /nfs/dbraw/zinc/03/48/73/536034873.db2.gz NQEQOQRLMGKDKS-UKRRQHHQSA-N 2 1 336.505 1.786 20 0 EDADMP CCc1cnc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000346693540 536034878 /nfs/dbraw/zinc/03/48/78/536034878.db2.gz NQEQOQRLMGKDKS-UKRRQHHQSA-N 2 1 336.505 1.786 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cnn(C)c1 ZINC000262440116 536383507 /nfs/dbraw/zinc/38/35/07/536383507.db2.gz UTJCVBMUCLSRIQ-MSOLQXFVSA-N 2 1 341.459 1.634 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2COCC[NH2+]2)[C@@H]1c1cccs1 ZINC000262435605 536385884 /nfs/dbraw/zinc/38/58/84/536385884.db2.gz UGXAFAPRLIFRIF-JKIFEVAISA-N 2 1 337.489 1.626 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)[C@H](C)[NH3+])C2)cc(OC)c1 ZINC000248947153 536768928 /nfs/dbraw/zinc/76/89/28/536768928.db2.gz ASJIDLOOAZNWIZ-IPYPFGDCSA-N 2 1 335.448 1.378 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)[C@H](C)[NH3+])C2)cc(OC)c1 ZINC000248947153 536768934 /nfs/dbraw/zinc/76/89/34/536768934.db2.gz ASJIDLOOAZNWIZ-IPYPFGDCSA-N 2 1 335.448 1.378 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)C(=S)NCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000741482365 579419438 /nfs/dbraw/zinc/41/94/38/579419438.db2.gz BUJAWEMSTHFUFS-HZPDHXFCSA-N 2 1 342.553 1.245 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=S)NCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000741482365 579419439 /nfs/dbraw/zinc/41/94/39/579419439.db2.gz BUJAWEMSTHFUFS-HZPDHXFCSA-N 2 1 342.553 1.245 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000743397882 579478868 /nfs/dbraw/zinc/47/88/68/579478868.db2.gz BUUYKBVKUDHQOQ-CQSZACIVSA-N 2 1 331.468 1.878 20 0 EDADMP Cc1nn(C)c(C)c1CN(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000726797061 578361597 /nfs/dbraw/zinc/36/15/97/578361597.db2.gz YJLABGCKXFDILW-GOSISDBHSA-N 2 1 330.476 1.962 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCN2CCOCC2)C1 ZINC000732136750 578693069 /nfs/dbraw/zinc/69/30/69/578693069.db2.gz VEDAQNIFJUEMQD-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[NH+]2CCOCC2)C1 ZINC000732136750 578693070 /nfs/dbraw/zinc/69/30/70/578693070.db2.gz VEDAQNIFJUEMQD-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH+]2CCOCC2)C1 ZINC000732136750 578693072 /nfs/dbraw/zinc/69/30/72/578693072.db2.gz VEDAQNIFJUEMQD-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760488355 580031881 /nfs/dbraw/zinc/03/18/81/580031881.db2.gz SAPOLTRRIGEQGK-INIZCTEOSA-N 2 1 326.554 1.866 20 0 EDADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cn(-c3ccccc3)nn2)CC1 ZINC000760702975 580036761 /nfs/dbraw/zinc/03/67/61/580036761.db2.gz LTGGMGBFOGSJEY-UHFFFAOYSA-N 2 1 329.448 1.592 20 0 EDADMP O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000747674044 579653261 /nfs/dbraw/zinc/65/32/61/579653261.db2.gz BDAAAQNNTHCYPZ-HOTGVXAUSA-N 2 1 332.448 1.189 20 0 EDADMP O=C(Nc1ccccn1)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000747674044 579653262 /nfs/dbraw/zinc/65/32/62/579653262.db2.gz BDAAAQNNTHCYPZ-HOTGVXAUSA-N 2 1 332.448 1.189 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1=COCC1 ZINC000750851298 579783733 /nfs/dbraw/zinc/78/37/33/579783733.db2.gz IFQYLNGYLLKRGO-UHFFFAOYSA-N 2 1 335.492 1.945 20 0 EDADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000751320358 579801354 /nfs/dbraw/zinc/80/13/54/579801354.db2.gz YUHQYIAZRADNHJ-INIZCTEOSA-N 2 1 331.460 1.272 20 0 EDADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000751320358 579801355 /nfs/dbraw/zinc/80/13/55/579801355.db2.gz YUHQYIAZRADNHJ-INIZCTEOSA-N 2 1 331.460 1.272 20 0 EDADMP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000754784537 579912040 /nfs/dbraw/zinc/91/20/40/579912040.db2.gz FREGKDQTUPYSGU-IRXDYDNUSA-N 2 1 337.489 1.322 20 0 EDADMP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754784537 579912041 /nfs/dbraw/zinc/91/20/41/579912041.db2.gz FREGKDQTUPYSGU-IRXDYDNUSA-N 2 1 337.489 1.322 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000756815403 579957478 /nfs/dbraw/zinc/95/74/78/579957478.db2.gz ZWFSEYHIRFUSRY-JKSUJKDBSA-N 2 1 326.554 1.913 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000756815403 579957479 /nfs/dbraw/zinc/95/74/79/579957479.db2.gz ZWFSEYHIRFUSRY-JKSUJKDBSA-N 2 1 326.554 1.913 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000756815403 579957480 /nfs/dbraw/zinc/95/74/80/579957480.db2.gz ZWFSEYHIRFUSRY-JKSUJKDBSA-N 2 1 326.554 1.913 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(NC)s1 ZINC000764099523 580113333 /nfs/dbraw/zinc/11/33/33/580113333.db2.gz AEKJHUKZIUUHRP-ZDUSSCGKSA-N 2 1 339.509 1.673 20 0 EDADMP CC[NH+]1CCC([NH2+]CCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000765277295 580139081 /nfs/dbraw/zinc/13/90/81/580139081.db2.gz FIRPYXRJUPMMCY-UHFFFAOYSA-N 2 1 325.478 1.180 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@@H](C)[C@@H](O)C3)cc2)CC1 ZINC000768764699 580219723 /nfs/dbraw/zinc/21/97/23/580219723.db2.gz AKOPOWUWZHQFRB-QAPCUYQASA-N 2 1 346.475 1.080 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3C[C@@H](C)[C@@H](O)C3)cc2)CC1 ZINC000768764699 580219724 /nfs/dbraw/zinc/21/97/24/580219724.db2.gz AKOPOWUWZHQFRB-QAPCUYQASA-N 2 1 346.475 1.080 20 0 EDADMP C[C@H]([NH2+][C@H](CCO)C1CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000771803403 580294699 /nfs/dbraw/zinc/29/46/99/580294699.db2.gz RWGCNBIOFZUCMR-ZYSHUDEJSA-N 2 1 345.487 1.516 20 0 EDADMP C[C@@H](CCO)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000779390070 580484856 /nfs/dbraw/zinc/48/48/56/580484856.db2.gz FDOPPGREHSNNCO-HNNXBMFYSA-N 2 1 335.448 1.208 20 0 EDADMP Cc1ccc(CNC(=O)CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000779653273 580493222 /nfs/dbraw/zinc/49/32/22/580493222.db2.gz WIZDRFZTXNHFRD-MRXNPFEDSA-N 2 1 348.447 1.219 20 0 EDADMP Cc1ccc(CNC(=O)CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)cc1 ZINC000779653273 580493223 /nfs/dbraw/zinc/49/32/23/580493223.db2.gz WIZDRFZTXNHFRD-MRXNPFEDSA-N 2 1 348.447 1.219 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000779654003 580493383 /nfs/dbraw/zinc/49/33/83/580493383.db2.gz NANUJZUFHLRABO-KFWWJZLASA-N 2 1 340.468 1.099 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000779654003 580493384 /nfs/dbraw/zinc/49/33/84/580493384.db2.gz NANUJZUFHLRABO-KFWWJZLASA-N 2 1 340.468 1.099 20 0 EDADMP CC[C@H](C(=O)O[C@@H](C)C(=O)N1CCN(CC)CC1)N(CC)CC ZINC000783782819 580606197 /nfs/dbraw/zinc/60/61/97/580606197.db2.gz JWTPFWDZJABNNA-LSDHHAIUSA-N 2 1 327.469 1.203 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)C[C@@H]2C1 ZINC000793956870 580861778 /nfs/dbraw/zinc/86/17/78/580861778.db2.gz PYPXIHMHYMZZPG-RYRKJORJSA-N 2 1 328.460 1.456 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)C[C@@H]2C1 ZINC000793956870 580861779 /nfs/dbraw/zinc/86/17/79/580861779.db2.gz PYPXIHMHYMZZPG-RYRKJORJSA-N 2 1 328.460 1.456 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C[C@@H]2C1 ZINC000793956870 580861780 /nfs/dbraw/zinc/86/17/80/580861780.db2.gz PYPXIHMHYMZZPG-RYRKJORJSA-N 2 1 328.460 1.456 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C[C@@H]2C1 ZINC000793956870 580861781 /nfs/dbraw/zinc/86/17/81/580861781.db2.gz PYPXIHMHYMZZPG-RYRKJORJSA-N 2 1 328.460 1.456 20 0 EDADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000796600076 580957776 /nfs/dbraw/zinc/95/77/76/580957776.db2.gz WHMCYJHIDZYWDE-XHSDSOJGSA-N 2 1 339.480 1.242 20 0 EDADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000796600076 580957777 /nfs/dbraw/zinc/95/77/77/580957777.db2.gz WHMCYJHIDZYWDE-XHSDSOJGSA-N 2 1 339.480 1.242 20 0 EDADMP CO[C@H](C)C[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000796640981 580958766 /nfs/dbraw/zinc/95/87/66/580958766.db2.gz TWXMUARKUSVTJD-MRXNPFEDSA-N 2 1 333.476 1.865 20 0 EDADMP C[C@@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000799376597 581026857 /nfs/dbraw/zinc/02/68/57/581026857.db2.gz BQIYUKLMBZZJLC-INIZCTEOSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891910243 590683857 /nfs/dbraw/zinc/68/38/57/590683857.db2.gz PNSMKWPBLNOPHJ-LBPRGKRZSA-N 2 1 339.509 1.790 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000891954126 590704928 /nfs/dbraw/zinc/70/49/28/590704928.db2.gz CQCRYROWMXEPCM-UPJWGTAASA-N 2 1 336.402 1.497 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCc1cn2c(n1)CCCC2 ZINC000891990535 590731402 /nfs/dbraw/zinc/73/14/02/590731402.db2.gz VYIVJOJLRHDRPT-JKSUJKDBSA-N 2 1 331.464 1.640 20 0 EDADMP [NH3+]C[C@@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000892028593 590757657 /nfs/dbraw/zinc/75/76/57/590757657.db2.gz RULGGCJHTWJMFK-IPMKNSEASA-N 2 1 342.487 1.887 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000892049755 590772677 /nfs/dbraw/zinc/77/26/77/590772677.db2.gz YNLWJZMFNHMBCP-FHLIZLRMSA-N 2 1 330.476 1.791 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000892052640 590773366 /nfs/dbraw/zinc/77/33/66/590773366.db2.gz DPLDQFBINJLMGL-NVXWUHKLSA-N 2 1 330.476 1.935 20 0 EDADMP CN(C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000893431661 590866480 /nfs/dbraw/zinc/86/64/80/590866480.db2.gz OAPRLMPXXSNTFP-QGZVFWFLSA-N 2 1 336.455 1.993 20 0 EDADMP CN(C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CCC[NH+](C)C1 ZINC000893431661 590866485 /nfs/dbraw/zinc/86/64/85/590866485.db2.gz OAPRLMPXXSNTFP-QGZVFWFLSA-N 2 1 336.455 1.993 20 0 EDADMP CN(C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CCC[NH+](C)C1 ZINC000893431661 590866489 /nfs/dbraw/zinc/86/64/89/590866489.db2.gz OAPRLMPXXSNTFP-QGZVFWFLSA-N 2 1 336.455 1.993 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3COC[C@H]3C3CC3)CC2)CC1 ZINC000891037388 590924426 /nfs/dbraw/zinc/92/44/26/590924426.db2.gz CPQPBJKZUNHZLE-OALUTQOASA-N 2 1 349.519 1.724 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892321996 590944152 /nfs/dbraw/zinc/94/41/52/590944152.db2.gz GXVZHMWCOKXVDO-CGTJXYLNSA-N 2 1 330.476 1.887 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000892400730 591011550 /nfs/dbraw/zinc/01/15/50/591011550.db2.gz UNUVUZWAFCDNBS-MSOLQXFVSA-N 2 1 332.492 1.928 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000892400913 591012303 /nfs/dbraw/zinc/01/23/03/591012303.db2.gz YHIVKHGREBAXAP-GOSISDBHSA-N 2 1 348.491 1.310 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000892401092 591012500 /nfs/dbraw/zinc/01/25/00/591012500.db2.gz YUZOEHWREAADIM-MSOLQXFVSA-N 2 1 332.492 1.930 20 0 EDADMP C[NH+]1CCC[C@@H](CNc2nccc(NC[C@H]3CCC[N@H+](C)C3)n2)C1 ZINC000892421896 591022081 /nfs/dbraw/zinc/02/20/81/591022081.db2.gz QHDIWQRBQSLQJW-CVEARBPZSA-N 3 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@@H](CNc2nc(NC[C@H]3CCC[N@@H+](C)C3)cc[nH+]2)C1 ZINC000892421896 591022088 /nfs/dbraw/zinc/02/20/88/591022088.db2.gz QHDIWQRBQSLQJW-CVEARBPZSA-N 3 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@@H](CNc2nc(NC[C@H]3CCC[N@H+](C)C3)cc[nH+]2)C1 ZINC000892421896 591022091 /nfs/dbraw/zinc/02/20/91/591022091.db2.gz QHDIWQRBQSLQJW-CVEARBPZSA-N 3 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@H](CNc2cc[nH+]c(NC[C@@H]3CCC[N@H+](C)C3)n2)C1 ZINC000892421896 591022094 /nfs/dbraw/zinc/02/20/94/591022094.db2.gz QHDIWQRBQSLQJW-CVEARBPZSA-N 3 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@H](CNc2cc[nH+]c(NC[C@@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000892421896 591022097 /nfs/dbraw/zinc/02/20/97/591022097.db2.gz QHDIWQRBQSLQJW-CVEARBPZSA-N 3 1 332.496 1.984 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892535670 591063250 /nfs/dbraw/zinc/06/32/50/591063250.db2.gz HEQXFSZIKMHHFY-JQHSSLGASA-N 2 1 346.475 1.232 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892535670 591063256 /nfs/dbraw/zinc/06/32/56/591063256.db2.gz HEQXFSZIKMHHFY-JQHSSLGASA-N 2 1 346.475 1.232 20 0 EDADMP CC(C)([NH3+])CCNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000891509763 591099016 /nfs/dbraw/zinc/09/90/16/591099016.db2.gz VVODLTFJMDFYEL-QGZVFWFLSA-N 2 1 332.492 1.978 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000891536061 591111496 /nfs/dbraw/zinc/11/14/96/591111496.db2.gz CBOZETMPDVYEGN-ZWKOTPCHSA-N 2 1 348.491 1.357 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891538125 591113320 /nfs/dbraw/zinc/11/33/20/591113320.db2.gz QFKFTJPKXTWEGS-FUHWJXTLSA-N 2 1 338.496 1.272 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000893872408 591123653 /nfs/dbraw/zinc/12/36/53/591123653.db2.gz KMGGMFLFBUBWKS-PYUISTEWSA-N 2 1 331.460 1.851 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCCC[C@H]2C[NH3+])[C@H](C)C1 ZINC000891565644 591127934 /nfs/dbraw/zinc/12/79/34/591127934.db2.gz QUTNLHQLTRDALE-IXDOHACOSA-N 2 1 340.512 1.646 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000894077996 591188044 /nfs/dbraw/zinc/18/80/44/591188044.db2.gz YKXCMLOIBIRURW-KSSFIOAISA-N 2 1 343.475 1.726 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000894077996 591188045 /nfs/dbraw/zinc/18/80/45/591188045.db2.gz YKXCMLOIBIRURW-KSSFIOAISA-N 2 1 343.475 1.726 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000892817410 591192672 /nfs/dbraw/zinc/19/26/72/591192672.db2.gz DIGYHLMCBGDDLJ-GVDBMIGSSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000891737242 591204481 /nfs/dbraw/zinc/20/44/81/591204481.db2.gz YXWCBTXLTGLFTJ-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000891737242 591204482 /nfs/dbraw/zinc/20/44/82/591204482.db2.gz YXWCBTXLTGLFTJ-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H](NC(=O)NCc1cccc2c1CC[NH2+]C2)C1=CC[N@@H+](C)CC1 ZINC000891765723 591216639 /nfs/dbraw/zinc/21/66/39/591216639.db2.gz PLJHRVAQZJQOIV-AWEZNQCLSA-N 2 1 328.460 1.782 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000892932331 591229624 /nfs/dbraw/zinc/22/96/24/591229624.db2.gz GICDBVXJEFJWPV-GASCZTMLSA-N 2 1 326.485 1.351 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000892932331 591229625 /nfs/dbraw/zinc/22/96/25/591229625.db2.gz GICDBVXJEFJWPV-GASCZTMLSA-N 2 1 326.485 1.351 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000893028912 591259717 /nfs/dbraw/zinc/25/97/17/591259717.db2.gz BNAUVDJIMUZGLR-MKXGPGLRSA-N 2 1 334.460 1.405 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000893028912 591259719 /nfs/dbraw/zinc/25/97/19/591259719.db2.gz BNAUVDJIMUZGLR-MKXGPGLRSA-N 2 1 334.460 1.405 20 0 EDADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3C(=O)NCC34CCOCC4)CC2)C1 ZINC000895771278 591269574 /nfs/dbraw/zinc/26/95/74/591269574.db2.gz JMNHRSIPEPJHCJ-NXHRZFHOSA-N 2 1 349.519 1.914 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000895781073 591273869 /nfs/dbraw/zinc/27/38/69/591273869.db2.gz AAAZZLMWPQKEBQ-CYGHRXIMSA-N 2 1 335.492 1.571 20 0 EDADMP COC(=O)[C@H]1[C@@H](C[NH2+]C2CC[NH+](CCOC(C)C)CC2)C1(F)F ZINC000894324397 591279090 /nfs/dbraw/zinc/27/90/90/591279090.db2.gz ZOVNXCMZQLBRMA-ZIAGYGMSSA-N 2 1 334.407 1.520 20 0 EDADMP C[C@H](NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000151112853 591347487 /nfs/dbraw/zinc/34/74/87/591347487.db2.gz QGDUVUDEOCGYGK-XIRDDKMYSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000151112853 591347492 /nfs/dbraw/zinc/34/74/92/591347492.db2.gz QGDUVUDEOCGYGK-XIRDDKMYSA-N 2 1 340.512 1.515 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000896257396 591399906 /nfs/dbraw/zinc/39/99/06/591399906.db2.gz DRVWPANBYIFRCJ-RCCFBDPRSA-N 2 1 331.460 1.516 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000896257396 591399910 /nfs/dbraw/zinc/39/99/10/591399910.db2.gz DRVWPANBYIFRCJ-RCCFBDPRSA-N 2 1 331.460 1.516 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000896257396 591399914 /nfs/dbraw/zinc/39/99/14/591399914.db2.gz DRVWPANBYIFRCJ-RCCFBDPRSA-N 2 1 331.460 1.516 20 0 EDADMP CN(C)c1ccnc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c1 ZINC000896299151 591412318 /nfs/dbraw/zinc/41/23/18/591412318.db2.gz UNIIYXAYWUFZNU-UHFFFAOYSA-N 2 1 340.493 1.488 20 0 EDADMP CC(C)Cn1ccc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000896324404 591418889 /nfs/dbraw/zinc/41/88/89/591418889.db2.gz CPPGFYNZYXJNJI-HNNXBMFYSA-N 2 1 333.480 1.437 20 0 EDADMP Cc1nc(C)c(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000898585293 591423269 /nfs/dbraw/zinc/42/32/69/591423269.db2.gz RLQGYQHGPJIBMZ-LBPRGKRZSA-N 2 1 326.510 1.691 20 0 EDADMP Cc1nc(C)c(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000898585293 591423271 /nfs/dbraw/zinc/42/32/71/591423271.db2.gz RLQGYQHGPJIBMZ-LBPRGKRZSA-N 2 1 326.510 1.691 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cncc(F)c1Cl ZINC000898585418 591423662 /nfs/dbraw/zinc/42/36/62/591423662.db2.gz WQHWUGVHQFQIQE-NSHDSACASA-N 2 1 330.835 1.876 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cncc(F)c1Cl ZINC000898585418 591423665 /nfs/dbraw/zinc/42/36/65/591423665.db2.gz WQHWUGVHQFQIQE-NSHDSACASA-N 2 1 330.835 1.876 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000897437019 591427286 /nfs/dbraw/zinc/42/72/86/591427286.db2.gz FNXKKEYOTXAIBZ-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@@H+]1CCO ZINC000897455147 591460881 /nfs/dbraw/zinc/46/08/81/591460881.db2.gz LPAQZDRLLFJVSV-KBAYOESNSA-N 2 1 331.460 1.204 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@H+]1CCO ZINC000897455147 591460883 /nfs/dbraw/zinc/46/08/83/591460883.db2.gz LPAQZDRLLFJVSV-KBAYOESNSA-N 2 1 331.460 1.204 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC[NH+]1CCO ZINC000897455147 591460886 /nfs/dbraw/zinc/46/08/86/591460886.db2.gz LPAQZDRLLFJVSV-KBAYOESNSA-N 2 1 331.460 1.204 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC[NH+]1CCO ZINC000897455147 591460888 /nfs/dbraw/zinc/46/08/88/591460888.db2.gz LPAQZDRLLFJVSV-KBAYOESNSA-N 2 1 331.460 1.204 20 0 EDADMP C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C12CCC2 ZINC000898828066 591550575 /nfs/dbraw/zinc/55/05/75/591550575.db2.gz BCUNJVPPTXLART-HOTGVXAUSA-N 2 1 332.448 1.873 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000896609443 591552081 /nfs/dbraw/zinc/55/20/81/591552081.db2.gz NUWVIVNZTIAFCV-CABCVRRESA-N 2 1 328.526 1.644 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000909439623 591572070 /nfs/dbraw/zinc/57/20/70/591572070.db2.gz QWELPXOWJDRSBV-HOTGVXAUSA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000909439623 591572073 /nfs/dbraw/zinc/57/20/73/591572073.db2.gz QWELPXOWJDRSBV-HOTGVXAUSA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000909439623 591572077 /nfs/dbraw/zinc/57/20/77/591572077.db2.gz QWELPXOWJDRSBV-HOTGVXAUSA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000909439623 591572079 /nfs/dbraw/zinc/57/20/79/591572079.db2.gz QWELPXOWJDRSBV-HOTGVXAUSA-N 2 1 339.480 1.203 20 0 EDADMP CC[N@@H+](CCC(N)=O)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000896714560 591591793 /nfs/dbraw/zinc/59/17/93/591591793.db2.gz GLJUSTUWLQEQOF-UHFFFAOYSA-N 2 1 332.492 1.914 20 0 EDADMP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000897649600 591603889 /nfs/dbraw/zinc/60/38/89/591603889.db2.gz JMTODUCQOBGUJL-ZJIFWQFVSA-N 2 1 339.480 1.837 20 0 EDADMP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897649600 591603891 /nfs/dbraw/zinc/60/38/91/591603891.db2.gz JMTODUCQOBGUJL-ZJIFWQFVSA-N 2 1 339.480 1.837 20 0 EDADMP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000897736187 591656698 /nfs/dbraw/zinc/65/66/98/591656698.db2.gz YBOHHZFMRUJCTI-JKIFEVAISA-N 2 1 347.463 1.112 20 0 EDADMP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897736187 591656704 /nfs/dbraw/zinc/65/67/04/591656704.db2.gz YBOHHZFMRUJCTI-JKIFEVAISA-N 2 1 347.463 1.112 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCSC(C)(C)C3)cn2)CC1 ZINC000897796995 591671697 /nfs/dbraw/zinc/67/16/97/591671697.db2.gz BOBSVRFDPTZAFV-HNNXBMFYSA-N 2 1 335.521 1.992 20 0 EDADMP COCC[N@@H+](C[C@@H]1[C@@H](C(=O)OC)C1(F)F)CC1CC[NH+](C)CC1 ZINC000895417330 591750557 /nfs/dbraw/zinc/75/05/57/591750557.db2.gz YDMADJNGZODMFU-KGLIPLIRSA-N 2 1 334.407 1.331 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000899958517 591844258 /nfs/dbraw/zinc/84/42/58/591844258.db2.gz VBZAHZGKJXLMRE-APWZRJJASA-N 2 1 349.475 1.770 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000900021472 591871792 /nfs/dbraw/zinc/87/17/92/591871792.db2.gz NIKVQZNGXPODDK-QGZVFWFLSA-N 2 1 341.459 1.449 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000900179576 591930318 /nfs/dbraw/zinc/93/03/18/591930318.db2.gz MWYKUOSWDUJYGE-UYAOXDASSA-N 2 1 345.487 1.614 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000900179576 591930320 /nfs/dbraw/zinc/93/03/20/591930320.db2.gz MWYKUOSWDUJYGE-UYAOXDASSA-N 2 1 345.487 1.614 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000900179576 591930322 /nfs/dbraw/zinc/93/03/22/591930322.db2.gz MWYKUOSWDUJYGE-UYAOXDASSA-N 2 1 345.487 1.614 20 0 EDADMP CC(C)[C@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)[NH+]1CCC(C)CC1 ZINC000900190228 591934812 /nfs/dbraw/zinc/93/48/12/591934812.db2.gz DETZYTXUGFMMIA-PKOBYXMFSA-N 2 1 339.524 1.706 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000900191174 591935119 /nfs/dbraw/zinc/93/51/19/591935119.db2.gz NPNNHCSSECOVLH-NUJGCVRESA-N 2 1 325.497 1.314 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[NH+]1CCC(C)CC1 ZINC000900191174 591935123 /nfs/dbraw/zinc/93/51/23/591935123.db2.gz NPNNHCSSECOVLH-NUJGCVRESA-N 2 1 325.497 1.314 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000900203673 591940695 /nfs/dbraw/zinc/94/06/95/591940695.db2.gz FKBVTHLTIJEPNB-MSOLQXFVSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000900203673 591940697 /nfs/dbraw/zinc/94/06/97/591940697.db2.gz FKBVTHLTIJEPNB-MSOLQXFVSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000900203673 591940699 /nfs/dbraw/zinc/94/06/99/591940699.db2.gz FKBVTHLTIJEPNB-MSOLQXFVSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000900208853 591943171 /nfs/dbraw/zinc/94/31/71/591943171.db2.gz OBEUOHJOGHMIMR-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000900208853 591943173 /nfs/dbraw/zinc/94/31/73/591943173.db2.gz OBEUOHJOGHMIMR-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000900208853 591943176 /nfs/dbraw/zinc/94/31/76/591943176.db2.gz OBEUOHJOGHMIMR-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900216190 591945654 /nfs/dbraw/zinc/94/56/54/591945654.db2.gz RTDIARSRAVWZSD-AEFFLSMTSA-N 2 1 325.497 1.462 20 0 EDADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900216190 591945656 /nfs/dbraw/zinc/94/56/56/591945656.db2.gz RTDIARSRAVWZSD-AEFFLSMTSA-N 2 1 325.497 1.462 20 0 EDADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900216190 591945658 /nfs/dbraw/zinc/94/56/58/591945658.db2.gz RTDIARSRAVWZSD-AEFFLSMTSA-N 2 1 325.497 1.462 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000900233244 591949863 /nfs/dbraw/zinc/94/98/63/591949863.db2.gz ROHQFAKBPCEPRP-VQIMIIECSA-N 2 1 346.475 1.533 20 0 EDADMP CN1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000900233244 591949867 /nfs/dbraw/zinc/94/98/67/591949867.db2.gz ROHQFAKBPCEPRP-VQIMIIECSA-N 2 1 346.475 1.533 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[NH2+]CC(C)(C)C3)C2=O)n(C)n1 ZINC000902369750 591981209 /nfs/dbraw/zinc/98/12/09/591981209.db2.gz KMUXJGJTNMKVEZ-GJZGRUSLSA-N 2 1 333.480 1.592 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900335582 591987324 /nfs/dbraw/zinc/98/73/24/591987324.db2.gz YWZNVOBZTBJRTC-YVWKXTFCSA-N 2 1 345.487 1.785 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900335582 591987327 /nfs/dbraw/zinc/98/73/27/591987327.db2.gz YWZNVOBZTBJRTC-YVWKXTFCSA-N 2 1 345.487 1.785 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900335582 591987330 /nfs/dbraw/zinc/98/73/30/591987330.db2.gz YWZNVOBZTBJRTC-YVWKXTFCSA-N 2 1 345.487 1.785 20 0 EDADMP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cc1 ZINC000900565048 592054119 /nfs/dbraw/zinc/05/41/19/592054119.db2.gz DZLOPANLSNDJBV-QFBILLFUSA-N 2 1 349.475 1.088 20 0 EDADMP CC(C)[C@H](C[NH+](C)C)NC(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000900692910 592097178 /nfs/dbraw/zinc/09/71/78/592097178.db2.gz LHNMHLSLJALZCZ-KRWDZBQOSA-N 2 1 326.529 1.495 20 0 EDADMP COC(=O)N1CCC([NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000903117573 592123679 /nfs/dbraw/zinc/12/36/79/592123679.db2.gz VCASXRBFYADKIO-XLMAVXFVSA-N 2 1 339.480 1.287 20 0 EDADMP Cn1nccc1[C@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCC(=O)N1C ZINC000903124850 592124673 /nfs/dbraw/zinc/12/46/73/592124673.db2.gz VXWXTVFAQPUANI-CKEIUWERSA-N 2 1 333.480 1.544 20 0 EDADMP Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)n[nH]1 ZINC000903136433 592125822 /nfs/dbraw/zinc/12/58/22/592125822.db2.gz YAWIYRIMLSSGPP-HYVNUMGLSA-N 2 1 349.479 1.424 20 0 EDADMP Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[nH]1 ZINC000903136433 592125823 /nfs/dbraw/zinc/12/58/23/592125823.db2.gz YAWIYRIMLSSGPP-HYVNUMGLSA-N 2 1 349.479 1.424 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903461067 592171822 /nfs/dbraw/zinc/17/18/22/592171822.db2.gz OGWAUYQDZOONFK-ZIAGYGMSSA-N 2 1 331.416 1.111 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000900973125 592182265 /nfs/dbraw/zinc/18/22/65/592182265.db2.gz FZYXCWAMSLFUCI-DLVXIWMQSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000900973125 592182266 /nfs/dbraw/zinc/18/22/66/592182266.db2.gz FZYXCWAMSLFUCI-DLVXIWMQSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000900973125 592182267 /nfs/dbraw/zinc/18/22/67/592182267.db2.gz FZYXCWAMSLFUCI-DLVXIWMQSA-N 2 1 345.487 1.611 20 0 EDADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900978660 592184669 /nfs/dbraw/zinc/18/46/69/592184669.db2.gz KERSYTFRMKZVAC-AEFFLSMTSA-N 2 1 325.497 1.316 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCOCc1ccc(OC)cc1)C2 ZINC000903492935 592185706 /nfs/dbraw/zinc/18/57/06/592185706.db2.gz MBSIMFZIIHFVGI-FCEWJHQRSA-N 2 1 348.443 1.424 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CCOc2ccccc2F)C[C@H]1CC[NH3+] ZINC000903496841 592188522 /nfs/dbraw/zinc/18/85/22/592188522.db2.gz GWVZROQWMKVONE-HUUCEWRRSA-N 2 1 337.439 1.580 20 0 EDADMP NC(=O)[C@H](c1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903509400 592190013 /nfs/dbraw/zinc/19/00/13/592190013.db2.gz HYZVKOKRUYLIRJ-KSZLIROESA-N 2 1 328.460 1.114 20 0 EDADMP CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)nc1 ZINC000903506952 592198727 /nfs/dbraw/zinc/19/87/27/592198727.db2.gz GTTBPIOCEQEEEV-HDICACEKSA-N 2 1 330.476 1.881 20 0 EDADMP CC(C)Cn1ncnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507014 592198753 /nfs/dbraw/zinc/19/87/53/592198753.db2.gz JIAYSLPHHVRWPI-CALCHBBNSA-N 2 1 332.496 1.335 20 0 EDADMP CC(C)(C)CCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562811 592210555 /nfs/dbraw/zinc/21/05/55/592210555.db2.gz VGJRFDXDRYWEBJ-IYBDPMFKSA-N 2 1 343.537 1.653 20 0 EDADMP CC(C)(C)CCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562811 592210557 /nfs/dbraw/zinc/21/05/57/592210557.db2.gz VGJRFDXDRYWEBJ-IYBDPMFKSA-N 2 1 343.537 1.653 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906646643 592231963 /nfs/dbraw/zinc/23/19/63/592231963.db2.gz VSIOESZYDCKAKB-UHFFFAOYSA-N 2 1 334.464 1.665 20 0 EDADMP CC[N@@H+](CC(=O)Nc1cccc(OC)c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718626 592280607 /nfs/dbraw/zinc/28/06/07/592280607.db2.gz PRXSTEDHIIHXNM-PKOBYXMFSA-N 2 1 347.459 1.724 20 0 EDADMP CC[N@H+](CC(=O)Nc1cccc(OC)c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718626 592280609 /nfs/dbraw/zinc/28/06/09/592280609.db2.gz PRXSTEDHIIHXNM-PKOBYXMFSA-N 2 1 347.459 1.724 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000908036959 592283492 /nfs/dbraw/zinc/28/34/92/592283492.db2.gz RTBLWRVMUHJQLE-QZTJIDSGSA-N 2 1 337.508 1.679 20 0 EDADMP NC(=O)c1ccc(C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)cc1 ZINC000903725441 592285267 /nfs/dbraw/zinc/28/52/67/592285267.db2.gz ZQNGFPKBBZMGRV-GOSISDBHSA-N 2 1 343.471 1.909 20 0 EDADMP c1csc(C[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000903745507 592292187 /nfs/dbraw/zinc/29/21/87/592292187.db2.gz JDFLMUUYTMFIJY-UGUYLWEFSA-N 2 1 349.500 1.891 20 0 EDADMP c1csc(C[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000903745507 592292190 /nfs/dbraw/zinc/29/21/90/592292190.db2.gz JDFLMUUYTMFIJY-UGUYLWEFSA-N 2 1 349.500 1.891 20 0 EDADMP CC(C)COC(=O)N1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903751615 592295447 /nfs/dbraw/zinc/29/54/47/592295447.db2.gz HKMSFTXPSRRRFF-SJLPKXTDSA-N 2 1 339.480 1.555 20 0 EDADMP C[C@H](N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)C(F)(F)F ZINC000903739869 592301910 /nfs/dbraw/zinc/30/19/10/592301910.db2.gz ANTVQLZVNFHQNF-KBPBESRZSA-N 2 1 335.414 1.714 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1)CC(F)(F)F ZINC000903742679 592303965 /nfs/dbraw/zinc/30/39/65/592303965.db2.gz ZIRUANCJNITMPO-ARFHVFGLSA-N 2 1 349.441 1.961 20 0 EDADMP CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903765377 592308853 /nfs/dbraw/zinc/30/88/53/592308853.db2.gz YYIFVDIMTOUJIO-ROUUACIJSA-N 2 1 343.471 1.318 20 0 EDADMP CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903765377 592308858 /nfs/dbraw/zinc/30/88/58/592308858.db2.gz YYIFVDIMTOUJIO-ROUUACIJSA-N 2 1 343.471 1.318 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2C[C@@H](C)[NH+](CC)C[C@@H]2C)C1 ZINC000901271120 592320265 /nfs/dbraw/zinc/32/02/65/592320265.db2.gz KWPNMHNBBAPKJL-OWCLPIDISA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)[NH+](CC)C[C@@H]2C)C1 ZINC000901271120 592320268 /nfs/dbraw/zinc/32/02/68/592320268.db2.gz KWPNMHNBBAPKJL-OWCLPIDISA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)C1 ZINC000901271120 592320270 /nfs/dbraw/zinc/32/02/70/592320270.db2.gz KWPNMHNBBAPKJL-OWCLPIDISA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)C1 ZINC000901271120 592320274 /nfs/dbraw/zinc/32/02/74/592320274.db2.gz KWPNMHNBBAPKJL-OWCLPIDISA-N 2 1 339.480 1.203 20 0 EDADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000903809874 592330993 /nfs/dbraw/zinc/33/09/93/592330993.db2.gz OKTOQDLYQBYTJK-AWEZNQCLSA-N 2 1 342.867 1.828 20 0 EDADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000903809874 592330996 /nfs/dbraw/zinc/33/09/96/592330996.db2.gz OKTOQDLYQBYTJK-AWEZNQCLSA-N 2 1 342.867 1.828 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)CN1CCC[C@H](C(=O)OCC)C1 ZINC000908171041 592359297 /nfs/dbraw/zinc/35/92/97/592359297.db2.gz LTNYKFRUFJZJIC-HOTGVXAUSA-N 2 1 339.480 1.252 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cnn1C ZINC000903896716 592367625 /nfs/dbraw/zinc/36/76/25/592367625.db2.gz DOBZRFOLSQSZBH-WFASDCNBSA-N 2 1 348.413 1.481 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@]2(CO)CCOc3ccccc32)cnn1C ZINC000903925012 592379522 /nfs/dbraw/zinc/37/95/22/592379522.db2.gz BIRNGJXHTSWGJI-DNVCBOLYSA-N 2 1 344.459 1.106 20 0 EDADMP [NH3+][C@H](C[NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)CC(F)F ZINC000903926838 592381493 /nfs/dbraw/zinc/38/14/93/592381493.db2.gz UTAAWTMATSCJLU-QWHCGFSZSA-N 2 1 327.375 1.238 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000903937741 592387268 /nfs/dbraw/zinc/38/72/68/592387268.db2.gz QNTSSBUCRHHLAI-MSOLQXFVSA-N 2 1 344.503 1.563 20 0 EDADMP CCC(CC)Nc1cc[nH+]cc1NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908327806 592462481 /nfs/dbraw/zinc/46/24/81/592462481.db2.gz GGQPVMBNSBZMJL-GOSISDBHSA-N 2 1 334.464 1.889 20 0 EDADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905367170 592517114 /nfs/dbraw/zinc/51/71/14/592517114.db2.gz JFROFQKNAAZTOI-OALUTQOASA-N 2 1 348.487 1.399 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000907152026 592538655 /nfs/dbraw/zinc/53/86/55/592538655.db2.gz XLORPXURWHGKJM-QZTJIDSGSA-N 2 1 330.476 1.041 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000907152026 592538657 /nfs/dbraw/zinc/53/86/57/592538657.db2.gz XLORPXURWHGKJM-QZTJIDSGSA-N 2 1 330.476 1.041 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000907152026 592538658 /nfs/dbraw/zinc/53/86/58/592538658.db2.gz XLORPXURWHGKJM-QZTJIDSGSA-N 2 1 330.476 1.041 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)COCC(C)C)C2)[C@@H]1C(C)C ZINC000905503692 592546677 /nfs/dbraw/zinc/54/66/77/592546677.db2.gz SHQZUTKLPOATLW-QQXKLLMISA-N 2 1 342.524 1.479 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000905608382 592577557 /nfs/dbraw/zinc/57/75/57/592577557.db2.gz MQSGUICXJBADQK-TVFCKZIOSA-N 2 1 334.460 1.751 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000905608382 592577559 /nfs/dbraw/zinc/57/75/59/592577559.db2.gz MQSGUICXJBADQK-TVFCKZIOSA-N 2 1 334.460 1.751 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(n2cc(Br)cn2)CC1)C1CC1 ZINC000905588762 592583773 /nfs/dbraw/zinc/58/37/73/592583773.db2.gz YOQCTJUNZACSQV-ZDUSSCGKSA-N 2 1 343.269 1.179 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(n2cc(Br)cn2)CC1)C1CC1 ZINC000905588762 592583776 /nfs/dbraw/zinc/58/37/76/592583776.db2.gz YOQCTJUNZACSQV-ZDUSSCGKSA-N 2 1 343.269 1.179 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000905669425 592607259 /nfs/dbraw/zinc/60/72/59/592607259.db2.gz XNZMTJFAIGPFGN-ZACQAIPSSA-N 2 1 325.497 1.724 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000907533911 592691894 /nfs/dbraw/zinc/69/18/94/592691894.db2.gz ZGELNQUNDWUIDY-RLLQIKCJSA-N 2 1 345.487 1.612 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000907533911 592691898 /nfs/dbraw/zinc/69/18/98/592691898.db2.gz ZGELNQUNDWUIDY-RLLQIKCJSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000907533911 592691901 /nfs/dbraw/zinc/69/19/01/592691901.db2.gz ZGELNQUNDWUIDY-RLLQIKCJSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000907533911 592691905 /nfs/dbraw/zinc/69/19/05/592691905.db2.gz ZGELNQUNDWUIDY-RLLQIKCJSA-N 2 1 345.487 1.612 20 0 EDADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907567428 592712953 /nfs/dbraw/zinc/71/29/53/592712953.db2.gz OLXUNBSJTXJUSS-HNNXBMFYSA-N 2 1 348.516 1.828 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH+](C)C[C@H](C)O)CC2)C1 ZINC000907579046 592719861 /nfs/dbraw/zinc/71/98/61/592719861.db2.gz PBZYOLJHOMYZDS-HOTGVXAUSA-N 2 1 325.497 1.412 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([N@H+](C)C[C@H](C)O)CC2)C1 ZINC000907579046 592719862 /nfs/dbraw/zinc/71/98/62/592719862.db2.gz PBZYOLJHOMYZDS-HOTGVXAUSA-N 2 1 325.497 1.412 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)C1 ZINC000907579046 592719864 /nfs/dbraw/zinc/71/98/64/592719864.db2.gz PBZYOLJHOMYZDS-HOTGVXAUSA-N 2 1 325.497 1.412 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)[C@H](C)C1 ZINC000906217804 592760204 /nfs/dbraw/zinc/76/02/04/592760204.db2.gz WQRCMEWSXMRSKF-CVEARBPZSA-N 2 1 333.480 1.151 20 0 EDADMP CC[N@H+]1CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC000910269584 592814989 /nfs/dbraw/zinc/81/49/89/592814989.db2.gz KOYAPVGEZNMGFF-AOCRQIFASA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@@H+](CCNC(=O)c1cccn1CCN1CCOCC1)C1CC1 ZINC000906552707 592849731 /nfs/dbraw/zinc/84/97/31/592849731.db2.gz JDWZEXLJZBSVEZ-UHFFFAOYSA-N 2 1 334.464 1.034 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC000912001237 593047695 /nfs/dbraw/zinc/04/76/95/593047695.db2.gz BAJGTYXBDJMLMZ-QGZVFWFLSA-N 2 1 339.528 1.188 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000912001237 593047696 /nfs/dbraw/zinc/04/76/96/593047696.db2.gz BAJGTYXBDJMLMZ-QGZVFWFLSA-N 2 1 339.528 1.188 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC000912001237 593047697 /nfs/dbraw/zinc/04/76/97/593047697.db2.gz BAJGTYXBDJMLMZ-QGZVFWFLSA-N 2 1 339.528 1.188 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000912296312 593083811 /nfs/dbraw/zinc/08/38/11/593083811.db2.gz LIVDLJNPDWLIEM-AQFXKWCLSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@]2(C)C[NH+]3CCC2CC3)CC1 ZINC000912373481 593091169 /nfs/dbraw/zinc/09/11/69/593091169.db2.gz DSMZOCSHVHSRSZ-LJQANCHMSA-N 2 1 336.524 1.393 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(CN3C(=O)C(C)(C)[C@H]3[C@@H]3CCCO3)C2)C1 ZINC000840087593 593156826 /nfs/dbraw/zinc/15/68/26/593156826.db2.gz KTJQCRZSYPXNTA-FCEWJHQRSA-N 2 1 335.492 1.778 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCn2ccnc21 ZINC000838638093 593199587 /nfs/dbraw/zinc/19/95/87/593199587.db2.gz IISKNDOBSDFHFF-JKSUJKDBSA-N 2 1 348.495 1.385 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=S)NC2CC[NH+](C)CC2)CCCO1 ZINC000761547089 593417641 /nfs/dbraw/zinc/41/76/41/593417641.db2.gz GJDDNAVFXJYSFM-AWEZNQCLSA-N 2 1 328.526 1.046 20 0 EDADMP COCCCN(C(=O)CCCn1cc[nH+]c1C)C1CC[NH+](C)CC1 ZINC000811943533 593486974 /nfs/dbraw/zinc/48/69/74/593486974.db2.gz IVJVAKSJTGCNEC-UHFFFAOYSA-N 2 1 336.480 1.931 20 0 EDADMP COC(=O)CCC[NH+]1CCC(NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000812747181 593508669 /nfs/dbraw/zinc/50/86/69/593508669.db2.gz QZPQZBIUYOXLMK-MRXNPFEDSA-N 2 1 325.497 1.868 20 0 EDADMP C[C@@H](C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)C[NH+](C)C ZINC000813877106 593559393 /nfs/dbraw/zinc/55/93/93/593559393.db2.gz KRTMWUWXRIWEKB-BLLLJJGKSA-N 2 1 325.478 1.499 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000817288825 593589636 /nfs/dbraw/zinc/58/96/36/593589636.db2.gz NQRFHCKTFUPMON-OAGGEKHMSA-N 2 1 326.481 1.743 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000817288825 593589637 /nfs/dbraw/zinc/58/96/37/593589637.db2.gz NQRFHCKTFUPMON-OAGGEKHMSA-N 2 1 326.481 1.743 20 0 EDADMP Cc1ccc([C@@H](O)CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)o1 ZINC000820074972 593788693 /nfs/dbraw/zinc/78/86/93/593788693.db2.gz PYKFDSMLIOMJNN-ZFWWWQNUSA-N 2 1 340.468 1.193 20 0 EDADMP Cc1ccc([C@@H](O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)o1 ZINC000820074972 593788694 /nfs/dbraw/zinc/78/86/94/593788694.db2.gz PYKFDSMLIOMJNN-ZFWWWQNUSA-N 2 1 340.468 1.193 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625078 593886309 /nfs/dbraw/zinc/88/63/09/593886309.db2.gz FCZPBSJAGWHPRE-WBVHZDCISA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625078 593886311 /nfs/dbraw/zinc/88/63/11/593886311.db2.gz FCZPBSJAGWHPRE-WBVHZDCISA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625078 593886313 /nfs/dbraw/zinc/88/63/13/593886313.db2.gz FCZPBSJAGWHPRE-WBVHZDCISA-N 2 1 342.447 1.662 20 0 EDADMP COCC[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CCC[N@@H+]1CCOC)C2 ZINC000820808853 593895140 /nfs/dbraw/zinc/89/51/40/593895140.db2.gz PBMPADVPWKFFOI-FBVQUNGASA-N 2 1 325.497 1.329 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000820808853 593895141 /nfs/dbraw/zinc/89/51/41/593895141.db2.gz PBMPADVPWKFFOI-FBVQUNGASA-N 2 1 325.497 1.329 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000820808853 593895142 /nfs/dbraw/zinc/89/51/42/593895142.db2.gz PBMPADVPWKFFOI-FBVQUNGASA-N 2 1 325.497 1.329 20 0 EDADMP COCCN1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000820808853 593895143 /nfs/dbraw/zinc/89/51/43/593895143.db2.gz PBMPADVPWKFFOI-FBVQUNGASA-N 2 1 325.497 1.329 20 0 EDADMP Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@H](O)C[NH+]2CCCCC2)[nH+]1 ZINC000822193410 594006730 /nfs/dbraw/zinc/00/67/30/594006730.db2.gz WPNIEGQSLQBSGX-ZDUSSCGKSA-N 2 1 331.424 1.137 20 0 EDADMP c1ccc(C[N@H+]2CCC[C@@H](c3nc(N4CC[NH2+]CC4)no3)C2)cc1 ZINC000823315529 594184741 /nfs/dbraw/zinc/18/47/41/594184741.db2.gz MYODNGIJQOGKPD-MRXNPFEDSA-N 2 1 327.432 1.859 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC000825851320 594262634 /nfs/dbraw/zinc/26/26/34/594262634.db2.gz WDRPNXVTWOIOIG-IKGGRYGDSA-N 2 1 342.447 1.550 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCON2C(=O)c3ccccc3C2=O)C1 ZINC000827991814 594316434 /nfs/dbraw/zinc/31/64/34/594316434.db2.gz XDMFBLUOQCQFMQ-OAHLLOKOSA-N 2 1 345.443 1.878 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCON2C(=O)c3ccccc3C2=O)C1 ZINC000827991814 594316437 /nfs/dbraw/zinc/31/64/37/594316437.db2.gz XDMFBLUOQCQFMQ-OAHLLOKOSA-N 2 1 345.443 1.878 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCON2C(=O)c3ccccc3C2=O)C1 ZINC000827991814 594316439 /nfs/dbraw/zinc/31/64/39/594316439.db2.gz XDMFBLUOQCQFMQ-OAHLLOKOSA-N 2 1 345.443 1.878 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000830470141 594401829 /nfs/dbraw/zinc/40/18/29/594401829.db2.gz BINOFSHFFXJSOO-CQSZACIVSA-N 2 1 342.871 1.518 20 0 EDADMP COC(=O)Cc1ccccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830647247 594447059 /nfs/dbraw/zinc/44/70/59/594447059.db2.gz HYIDJKGFSVNPDH-UHFFFAOYSA-N 2 1 332.444 1.699 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccnn3C)CC2)CC1 ZINC000828915209 594529567 /nfs/dbraw/zinc/52/95/67/594529567.db2.gz NZWWXXDHVVLOII-HNNXBMFYSA-N 2 1 347.507 1.794 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCCCCCC[NH3+])C[C@H](C)O1 ZINC000831093967 594554776 /nfs/dbraw/zinc/55/47/76/594554776.db2.gz HGFRLQBDABUZJN-GASCZTMLSA-N 2 1 328.501 1.693 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCCCCCC[NH3+])C[C@H](C)O1 ZINC000831093967 594554778 /nfs/dbraw/zinc/55/47/78/594554778.db2.gz HGFRLQBDABUZJN-GASCZTMLSA-N 2 1 328.501 1.693 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)CCCCC[NH3+])cc2)CC1 ZINC000827080591 594636203 /nfs/dbraw/zinc/63/62/03/594636203.db2.gz GEMNMLFBIWFNNQ-UHFFFAOYSA-N 2 1 332.492 1.569 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)COC2CCC([NH3+])CC2)cn1 ZINC000827450797 594673503 /nfs/dbraw/zinc/67/35/03/594673503.db2.gz MZIMUOTXTBJWNI-UHFFFAOYSA-N 2 1 343.431 1.478 20 0 EDADMP Cc1cc([C@@H]([NH3+])CC(=O)NCC[N@H+]2CCCOCC2)cc(Cl)n1 ZINC000832002551 594718429 /nfs/dbraw/zinc/71/84/29/594718429.db2.gz OQAPCOIQXZQBCI-AWEZNQCLSA-N 2 1 340.855 1.272 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000841727674 594944525 /nfs/dbraw/zinc/94/45/25/594944525.db2.gz VRKZZKBBIRYQCZ-HNNXBMFYSA-N 2 1 328.420 1.599 20 0 EDADMP C[C@]1(CNC(=O)N2CCC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841898572 594976878 /nfs/dbraw/zinc/97/68/78/594976878.db2.gz OAZPIDGFOZUVHO-LJQANCHMSA-N 2 1 330.476 1.904 20 0 EDADMP CCOC(=O)CN(C(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843355646 595085621 /nfs/dbraw/zinc/08/56/21/595085621.db2.gz YYMSYNJYYZTVBW-UHFFFAOYSA-N 2 1 347.459 1.784 20 0 EDADMP Cc1ccc(N2CC[C@@H]([N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)C2=O)cc1 ZINC000843388539 595097226 /nfs/dbraw/zinc/09/72/26/595097226.db2.gz RJCKEEFTLLCLIB-FUHWJXTLSA-N 2 1 343.471 1.788 20 0 EDADMP Cc1ccc(N2CC[C@@H]([N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)C2=O)cc1 ZINC000843388539 595097231 /nfs/dbraw/zinc/09/72/31/595097231.db2.gz RJCKEEFTLLCLIB-FUHWJXTLSA-N 2 1 343.471 1.788 20 0 EDADMP [NH3+]C1(c2noc([C@]3(O)CC[N@@H+](Cc4ccccc4)C3)n2)CCCC1 ZINC000842593194 595134342 /nfs/dbraw/zinc/13/43/42/595134342.db2.gz VHMFUTXENKHRLG-SFHVURJKSA-N 2 1 328.416 1.891 20 0 EDADMP O=C(CO[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000843508574 595136708 /nfs/dbraw/zinc/13/67/08/595136708.db2.gz XTLARJACZRAGCT-IPMKNSEASA-N 2 1 343.471 1.488 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000846144883 595156268 /nfs/dbraw/zinc/15/62/68/595156268.db2.gz KSJBEEWCTHHIKJ-SJORKVTESA-N 2 1 332.448 1.068 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000834854286 595231400 /nfs/dbraw/zinc/23/14/00/595231400.db2.gz UVHQQUPSKNCAJQ-MRXNPFEDSA-N 2 1 325.497 1.712 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC000844018657 595244614 /nfs/dbraw/zinc/24/46/14/595244614.db2.gz SVRRGJSEZMTCCG-CALCHBBNSA-N 2 1 325.497 1.820 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000843061345 595276962 /nfs/dbraw/zinc/27/69/62/595276962.db2.gz FNLDATGWGWNORO-LSDHHAIUSA-N 2 1 343.265 1.529 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000843074438 595281364 /nfs/dbraw/zinc/28/13/64/595281364.db2.gz ZTWSXGMRVPLMEG-PBHICJAKSA-N 2 1 328.403 1.825 20 0 EDADMP COCC[NH+]1CCN(C(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)CC1 ZINC000844167452 595289329 /nfs/dbraw/zinc/28/93/29/595289329.db2.gz IOJLFBJAROZRDM-AWEZNQCLSA-N 2 1 340.855 1.224 20 0 EDADMP CN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844174243 595291932 /nfs/dbraw/zinc/29/19/32/595291932.db2.gz SCOWGBCBKYPABD-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CN(C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C1CCC([NH3+])CC1 ZINC000844205943 595301766 /nfs/dbraw/zinc/30/17/66/595301766.db2.gz SNOPOYBQULQDHV-ACBHZAAOSA-N 2 1 344.503 1.703 20 0 EDADMP C[N@@H+]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000846695979 595303190 /nfs/dbraw/zinc/30/31/90/595303190.db2.gz HSSKHCSBLCGVIA-MSOLQXFVSA-N 2 1 331.460 1.140 20 0 EDADMP C[N@H+]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000846695979 595303191 /nfs/dbraw/zinc/30/31/91/595303191.db2.gz HSSKHCSBLCGVIA-MSOLQXFVSA-N 2 1 331.460 1.140 20 0 EDADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844219947 595305730 /nfs/dbraw/zinc/30/57/30/595305730.db2.gz OYXSGIJMJLUKKM-MRXNPFEDSA-N 2 1 346.475 1.393 20 0 EDADMP COC(=O)N1CCC(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000848550339 595404499 /nfs/dbraw/zinc/40/44/99/595404499.db2.gz JRLPWDNFPWKEDA-QGZVFWFLSA-N 2 1 339.480 1.698 20 0 EDADMP C[C@H](CNC(=S)NCC1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848648390 595422004 /nfs/dbraw/zinc/42/20/04/595422004.db2.gz YMWHQQJOYNAICB-KFWWJZLASA-N 2 1 342.553 1.290 20 0 EDADMP C[C@H](CNC(=S)NCC1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848648390 595422005 /nfs/dbraw/zinc/42/20/05/595422005.db2.gz YMWHQQJOYNAICB-KFWWJZLASA-N 2 1 342.553 1.290 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848657316 595423773 /nfs/dbraw/zinc/42/37/73/595423773.db2.gz WXSFKHHKKNHRIY-HZPDHXFCSA-N 2 1 340.537 1.190 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848657316 595423774 /nfs/dbraw/zinc/42/37/74/595423774.db2.gz WXSFKHHKKNHRIY-HZPDHXFCSA-N 2 1 340.537 1.190 20 0 EDADMP CC(C)(C)OC(=O)NC/C=C/C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848908018 595465539 /nfs/dbraw/zinc/46/55/39/595465539.db2.gz WOXFMSJXUNJGBW-APHBUQMISA-N 2 1 339.480 1.910 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)COc1cccc(F)c1 ZINC000849059803 595476751 /nfs/dbraw/zinc/47/67/51/595476751.db2.gz OQFNRUASVIORNX-CABCVRRESA-N 2 1 338.427 1.164 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nccn1CC(F)(F)F ZINC000849074468 595478484 /nfs/dbraw/zinc/47/84/84/595478484.db2.gz QCVPNESVSQVPKE-LLVKDONJSA-N 2 1 332.374 1.544 20 0 EDADMP C[C@@H](O)c1ncc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000857441016 595527617 /nfs/dbraw/zinc/52/76/17/595527617.db2.gz HYKCNJINMBURDX-LLVKDONJSA-N 2 1 347.444 1.596 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849521664 595558132 /nfs/dbraw/zinc/55/81/32/595558132.db2.gz USWLBGAOKIWAKP-IRXDYDNUSA-N 2 1 333.480 1.010 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)cn1 ZINC000849525123 595558884 /nfs/dbraw/zinc/55/88/84/595558884.db2.gz LTUKCYFCBCRHOW-FGTMMUONSA-N 2 1 345.491 1.056 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cn1 ZINC000849525123 595558888 /nfs/dbraw/zinc/55/88/88/595558888.db2.gz LTUKCYFCBCRHOW-FGTMMUONSA-N 2 1 345.491 1.056 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cn1 ZINC000849525123 595558893 /nfs/dbraw/zinc/55/88/93/595558893.db2.gz LTUKCYFCBCRHOW-FGTMMUONSA-N 2 1 345.491 1.056 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849531471 595559570 /nfs/dbraw/zinc/55/95/70/595559570.db2.gz DTOGBGZMMSWFPI-DLBZAZTESA-N 2 1 335.496 1.304 20 0 EDADMP CCCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849531471 595559574 /nfs/dbraw/zinc/55/95/74/595559574.db2.gz DTOGBGZMMSWFPI-DLBZAZTESA-N 2 1 335.496 1.304 20 0 EDADMP CCCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849531471 595559578 /nfs/dbraw/zinc/55/95/78/595559578.db2.gz DTOGBGZMMSWFPI-DLBZAZTESA-N 2 1 335.496 1.304 20 0 EDADMP [NH3+][C@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1Br ZINC000852834415 595566933 /nfs/dbraw/zinc/56/69/33/595566933.db2.gz PQFRJLWISQYRKX-DZGCQCFKSA-N 2 1 338.249 1.803 20 0 EDADMP CN(C)c1cc[nH+]c(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849571769 595575591 /nfs/dbraw/zinc/57/55/91/595575591.db2.gz IHWNWVJTQYLIJU-JKSUJKDBSA-N 2 1 342.447 1.555 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000855345490 595680833 /nfs/dbraw/zinc/68/08/33/595680833.db2.gz BUENVGODQCYLDK-MAUKXSAKSA-N 2 1 346.475 1.892 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000855345490 595680836 /nfs/dbraw/zinc/68/08/36/595680836.db2.gz BUENVGODQCYLDK-MAUKXSAKSA-N 2 1 346.475 1.892 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC1(Cl)Cl ZINC000853238836 595717260 /nfs/dbraw/zinc/71/72/60/595717260.db2.gz SKWZFVUERGMYPZ-RYUDHWBXSA-N 2 1 339.311 1.751 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC1(Cl)Cl ZINC000853238836 595717258 /nfs/dbraw/zinc/71/72/58/595717258.db2.gz SKWZFVUERGMYPZ-RYUDHWBXSA-N 2 1 339.311 1.751 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000851849440 595946437 /nfs/dbraw/zinc/94/64/37/595946437.db2.gz UPKWRLOVSZSNPK-OAGGEKHMSA-N 2 1 343.512 1.923 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2C)C1 ZINC000851999570 596002592 /nfs/dbraw/zinc/00/25/92/596002592.db2.gz MZZFLJVJSAUDKZ-MRXNPFEDSA-N 2 1 342.447 1.859 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2C)C1 ZINC000851999570 596002596 /nfs/dbraw/zinc/00/25/96/596002596.db2.gz MZZFLJVJSAUDKZ-MRXNPFEDSA-N 2 1 342.447 1.859 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnn(C)c3)C2)ccn1 ZINC000856554520 596016731 /nfs/dbraw/zinc/01/67/31/596016731.db2.gz KHMAPCXGSHHQIG-GOSISDBHSA-N 2 1 329.448 1.920 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)ccn1 ZINC000856554520 596016734 /nfs/dbraw/zinc/01/67/34/596016734.db2.gz KHMAPCXGSHHQIG-GOSISDBHSA-N 2 1 329.448 1.920 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)ccn1 ZINC000856554520 596016737 /nfs/dbraw/zinc/01/67/37/596016737.db2.gz KHMAPCXGSHHQIG-GOSISDBHSA-N 2 1 329.448 1.920 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC(=O)N(C)C)C2)ccn1 ZINC000856597850 596028783 /nfs/dbraw/zinc/02/87/83/596028783.db2.gz CJGFALNZWLPJRH-GOSISDBHSA-N 2 1 348.491 1.853 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC(=O)N(C)C)C2)ccn1 ZINC000856597850 596028785 /nfs/dbraw/zinc/02/87/85/596028785.db2.gz CJGFALNZWLPJRH-GOSISDBHSA-N 2 1 348.491 1.853 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC(=O)N(C)C)C2)ccn1 ZINC000856597850 596028789 /nfs/dbraw/zinc/02/87/89/596028789.db2.gz CJGFALNZWLPJRH-GOSISDBHSA-N 2 1 348.491 1.853 20 0 EDADMP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000861626312 596050855 /nfs/dbraw/zinc/05/08/55/596050855.db2.gz OBBXBSRJWYBQDA-NVXWUHKLSA-N 2 1 334.464 1.266 20 0 EDADMP O=C1OCCN1c1cccc2c1CC[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000852747217 596237496 /nfs/dbraw/zinc/23/74/96/596237496.db2.gz ZENOOCVSPWWPTE-OAHLLOKOSA-N 2 1 343.427 1.522 20 0 EDADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000866666436 596285527 /nfs/dbraw/zinc/28/55/27/596285527.db2.gz QKTPTWKTEHKILL-QZTJIDSGSA-N 2 1 330.476 1.692 20 0 EDADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708052 596303077 /nfs/dbraw/zinc/30/30/77/596303077.db2.gz CNYJGPNHZMBZQS-JZXOWHBKSA-N 2 1 345.443 1.841 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000866712711 596305710 /nfs/dbraw/zinc/30/57/10/596305710.db2.gz VWDZUVZZCIBTEA-YVSFHVDLSA-N 2 1 331.416 1.241 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000870891800 596392810 /nfs/dbraw/zinc/39/28/10/596392810.db2.gz LNIAAGDULLILQV-NXWXRZEISA-N 2 1 345.487 1.910 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000870891800 596392814 /nfs/dbraw/zinc/39/28/14/596392814.db2.gz LNIAAGDULLILQV-NXWXRZEISA-N 2 1 345.487 1.910 20 0 EDADMP C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000870892619 596392945 /nfs/dbraw/zinc/39/29/45/596392945.db2.gz WHIFOZLCMFXFNN-NWDGLCLDSA-N 2 1 343.471 1.520 20 0 EDADMP C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000870892619 596392950 /nfs/dbraw/zinc/39/29/50/596392950.db2.gz WHIFOZLCMFXFNN-NWDGLCLDSA-N 2 1 343.471 1.520 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC[N@@H+]1C ZINC000864951199 596426121 /nfs/dbraw/zinc/42/61/21/596426121.db2.gz GMCLUJXEKZMUDC-JKSUJKDBSA-N 2 1 327.432 1.922 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC[N@H+]1C ZINC000864951199 596426123 /nfs/dbraw/zinc/42/61/23/596426123.db2.gz GMCLUJXEKZMUDC-JKSUJKDBSA-N 2 1 327.432 1.922 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000871282489 596522348 /nfs/dbraw/zinc/52/23/48/596522348.db2.gz CEDXJRRMAGVVFN-GOSISDBHSA-N 2 1 333.476 1.652 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000871282489 596522351 /nfs/dbraw/zinc/52/23/51/596522351.db2.gz CEDXJRRMAGVVFN-GOSISDBHSA-N 2 1 333.476 1.652 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC000871282489 596522353 /nfs/dbraw/zinc/52/23/53/596522353.db2.gz CEDXJRRMAGVVFN-GOSISDBHSA-N 2 1 333.476 1.652 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC000871282489 596522356 /nfs/dbraw/zinc/52/23/56/596522356.db2.gz CEDXJRRMAGVVFN-GOSISDBHSA-N 2 1 333.476 1.652 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000865484452 596588043 /nfs/dbraw/zinc/58/80/43/596588043.db2.gz XBPLCOMJNTZQIP-QWHCGFSZSA-N 2 1 345.896 1.950 20 0 EDADMP Cn1ncc2cc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cnc21 ZINC000865496341 596590769 /nfs/dbraw/zinc/59/07/69/596590769.db2.gz VIQSXBZUXXCXNG-DLBZAZTESA-N 2 1 329.448 1.436 20 0 EDADMP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)c1ccccc1 ZINC000869781783 596633465 /nfs/dbraw/zinc/63/34/65/596633465.db2.gz XVMCSADASJMTRN-DLBZAZTESA-N 2 1 333.476 1.641 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)c1ccccc1 ZINC000869781783 596633466 /nfs/dbraw/zinc/63/34/66/596633466.db2.gz XVMCSADASJMTRN-DLBZAZTESA-N 2 1 333.476 1.641 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccccc1 ZINC000869781783 596633467 /nfs/dbraw/zinc/63/34/67/596633467.db2.gz XVMCSADASJMTRN-DLBZAZTESA-N 2 1 333.476 1.641 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccccc1 ZINC000869781783 596633468 /nfs/dbraw/zinc/63/34/68/596633468.db2.gz XVMCSADASJMTRN-DLBZAZTESA-N 2 1 333.476 1.641 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccc(-n4ccnc4)nc3)CC[C@@H]21 ZINC000868019823 596656999 /nfs/dbraw/zinc/65/69/99/596656999.db2.gz DDEQYAWQTVAAAU-HOTGVXAUSA-N 2 1 340.431 1.503 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C[C@@H](C)O1 ZINC000868022650 596658473 /nfs/dbraw/zinc/65/84/73/596658473.db2.gz YNHWZPJGTIWIRG-QBPKDAKJSA-N 2 1 338.496 1.221 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)cn2)CC1 ZINC000865762639 596673032 /nfs/dbraw/zinc/67/30/32/596673032.db2.gz SETCNXRPYGBMNW-ROUUACIJSA-N 2 1 345.491 1.523 20 0 EDADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC000863897962 596709718 /nfs/dbraw/zinc/70/97/18/596709718.db2.gz YWIVMFDUOLILAH-UHFFFAOYSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@H+]1C ZINC000868237799 596740380 /nfs/dbraw/zinc/74/03/80/596740380.db2.gz NDSGIIZVYVZDAK-OSMBCOQSSA-N 2 1 344.459 1.381 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1 ZINC000868298182 596774370 /nfs/dbraw/zinc/77/43/70/596774370.db2.gz QEXHYFAEIKFSAJ-CYBMUJFWSA-N 2 1 332.448 1.588 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000868309546 596782541 /nfs/dbraw/zinc/78/25/41/596782541.db2.gz KPPVWBNDIXDVSS-NOLJZWGESA-N 2 1 330.432 1.197 20 0 EDADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC000872036151 596798279 /nfs/dbraw/zinc/79/82/79/596798279.db2.gz SBBPBFQXKPVGSL-KSZLIROESA-N 2 1 339.524 1.576 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(OC)c1 ZINC000872254406 596855720 /nfs/dbraw/zinc/85/57/20/596855720.db2.gz CLAGFDMKXRDFMN-UNEWFSDZSA-N 2 1 347.415 1.071 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000872257486 596857723 /nfs/dbraw/zinc/85/77/23/596857723.db2.gz RULNEFVMXJRPOO-RYQLBKOJSA-N 2 1 338.411 1.602 20 0 EDADMP O=C1N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C[C@@H]2CCCCN12 ZINC000872559985 596965192 /nfs/dbraw/zinc/96/51/92/596965192.db2.gz FIDRXXRCJYSFAW-KRWDZBQOSA-N 2 1 336.480 1.278 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H](C3CCC3)CC1)C2=O ZINC000872701344 597037119 /nfs/dbraw/zinc/03/71/19/597037119.db2.gz VEVSDHPFNOTFNE-MRXNPFEDSA-N 2 1 348.491 1.862 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000873112748 597200372 /nfs/dbraw/zinc/20/03/72/597200372.db2.gz WZKVDLVKBUTVMM-HZPDHXFCSA-N 2 1 330.432 1.040 20 0 EDADMP COC(=O)CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@@H]1CCCO1 ZINC000873205394 597227275 /nfs/dbraw/zinc/22/72/75/597227275.db2.gz NXIMVPSFKAKLLM-AWEZNQCLSA-N 2 1 338.473 1.938 20 0 EDADMP COCC(COC)[NH+]1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873214158 597229817 /nfs/dbraw/zinc/22/98/17/597229817.db2.gz ZJRMJZMOGOCKHZ-UHFFFAOYSA-N 2 1 339.505 1.173 20 0 EDADMP CC1CC[NH+](CCCNC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000875020226 597246854 /nfs/dbraw/zinc/24/68/54/597246854.db2.gz OBNUSJOQMIUANI-INIZCTEOSA-N 2 1 340.512 1.253 20 0 EDADMP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000876720213 597303952 /nfs/dbraw/zinc/30/39/52/597303952.db2.gz DSLLXRTTZDYBNQ-DKRLNXSXSA-N 2 1 343.471 1.691 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876719945 597304389 /nfs/dbraw/zinc/30/43/89/597304389.db2.gz BIHPODVIHBJSMP-IRXDYDNUSA-N 2 1 335.423 1.083 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000876723231 597306390 /nfs/dbraw/zinc/30/63/90/597306390.db2.gz QMKMZZREAZUCOT-BHYGNILZSA-N 2 1 347.507 1.966 20 0 EDADMP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000876726482 597307446 /nfs/dbraw/zinc/30/74/46/597307446.db2.gz IDZMEWOJDAGRIN-UKRRQHHQSA-N 2 1 325.453 1.382 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)/C=C\[C@H]2CCC[NH2+]C2)cc1 ZINC000876762368 597328114 /nfs/dbraw/zinc/32/81/14/597328114.db2.gz AGOWZGHKKCNPGG-XTXQVDMPSA-N 2 1 330.432 1.681 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000875215798 597335707 /nfs/dbraw/zinc/33/57/07/597335707.db2.gz MFMJPRYPOVTFBI-UHFFFAOYSA-N 2 1 342.528 1.574 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876784457 597339738 /nfs/dbraw/zinc/33/97/38/597339738.db2.gz GPTCFFKVNLFNLC-BPQIPLTHSA-N 2 1 344.503 1.687 20 0 EDADMP CC[C@H]1COCCN1CCNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000875368903 597403380 /nfs/dbraw/zinc/40/33/80/597403380.db2.gz BFNAXYFWYRFNSS-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000875371541 597404677 /nfs/dbraw/zinc/40/46/77/597404677.db2.gz QPLHIQCZSCEWAF-DOTOQJQBSA-N 2 1 334.508 1.987 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH2+]CC2CC2)C1 ZINC000877230233 597469794 /nfs/dbraw/zinc/46/97/94/597469794.db2.gz YHPJYAZTZBHBGX-IBGZPJMESA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)CC[NH2+]CC2CC2)C1 ZINC000877230233 597469795 /nfs/dbraw/zinc/46/97/95/597469795.db2.gz YHPJYAZTZBHBGX-IBGZPJMESA-N 2 1 345.487 1.702 20 0 EDADMP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000877244646 597476993 /nfs/dbraw/zinc/47/69/93/597476993.db2.gz IJKHHBFSPRYIDS-CGBFIWBNSA-N 2 1 343.471 1.379 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877257931 597482116 /nfs/dbraw/zinc/48/21/16/597482116.db2.gz UOPOIUKJFPZKFM-XLIONFOSSA-N 2 1 346.519 1.669 20 0 EDADMP COCCOc1ccccc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877747599 597552855 /nfs/dbraw/zinc/55/28/55/597552855.db2.gz SYPBESCQEDMICN-UHFFFAOYSA-N 2 1 347.503 1.924 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCc3ccc(C(N)=O)cc3)CC2)C1 ZINC000878248209 597589793 /nfs/dbraw/zinc/58/97/93/597589793.db2.gz SIINYIVDYJMUQU-SFHVURJKSA-N 2 1 330.476 1.040 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)CC3(CO)CCCC3)CC2)C1 ZINC000878248235 597589844 /nfs/dbraw/zinc/58/98/44/597589844.db2.gz SVUQFXHNWVBWDV-ROUUACIJSA-N 2 1 339.524 1.002 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CC4(CO3)CCOCC4)CC2)C1 ZINC000878247691 597589951 /nfs/dbraw/zinc/58/99/51/597589951.db2.gz FFQJAUIYKAZDGW-QZTJIDSGSA-N 2 1 337.508 1.284 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CC4(CO3)CCOCC4)CC2)C1 ZINC000878247691 597589952 /nfs/dbraw/zinc/58/99/52/597589952.db2.gz FFQJAUIYKAZDGW-QZTJIDSGSA-N 2 1 337.508 1.284 20 0 EDADMP CN(CC[N@@H+](C)C[C@@H](O)CC1(O)CCCC1)C1CC[NH+](C)CC1 ZINC000878311268 597594626 /nfs/dbraw/zinc/59/46/26/597594626.db2.gz GMIGJNPGMJGONX-KRWDZBQOSA-N 2 1 327.513 1.000 20 0 EDADMP O=C1NC2(CO1)CC[NH+](C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000878405958 597600009 /nfs/dbraw/zinc/60/00/09/597600009.db2.gz MVOCFQYLZGSMMJ-LJQANCHMSA-N 2 1 345.443 1.198 20 0 EDADMP O=C1NC2(CO1)CC[NH+](C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000878405958 597600010 /nfs/dbraw/zinc/60/00/10/597600010.db2.gz MVOCFQYLZGSMMJ-LJQANCHMSA-N 2 1 345.443 1.198 20 0 EDADMP CN(CCC[N@@H+](C)C[C@@H]1CCC2(CCOCC2)CO1)CC[NH+](C)C ZINC000878623660 597658733 /nfs/dbraw/zinc/65/87/33/597658733.db2.gz UBZBSMSINMIBQK-SFHVURJKSA-N 2 1 341.540 1.778 20 0 EDADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000879703344 597695207 /nfs/dbraw/zinc/69/52/07/597695207.db2.gz JCHZGXPFBBMICD-FQEVSTJZSA-N 2 1 347.503 1.659 20 0 EDADMP CCS(=O)(=O)NCCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703995 597695392 /nfs/dbraw/zinc/69/53/92/597695392.db2.gz HZKPCTWJOPJHGO-UHFFFAOYSA-N 2 1 333.542 1.616 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C1CC1 ZINC000883285253 597699648 /nfs/dbraw/zinc/69/96/48/597699648.db2.gz KMMMCIOLAXQTMZ-HNNXBMFYSA-N 2 1 331.464 1.786 20 0 EDADMP CC(=O)Nc1ccc2c(C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)cc(=O)oc2c1 ZINC000883442551 597748630 /nfs/dbraw/zinc/74/86/30/597748630.db2.gz NMFKTENDKVGMNP-HZPDHXFCSA-N 2 1 329.400 1.967 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000883442951 597748785 /nfs/dbraw/zinc/74/87/85/597748785.db2.gz WPSBPOXLGFCWOY-HOTGVXAUSA-N 2 1 332.448 1.177 20 0 EDADMP COc1cccc([C@@H]2C[NH2+]CCN2CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000883454574 597754057 /nfs/dbraw/zinc/75/40/57/597754057.db2.gz FTUSEIVZJHJIIW-OTWHNJEPSA-N 2 1 331.460 1.505 20 0 EDADMP COc1cccc([C@@H]2C[NH2+]CCN2CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000883454574 597754060 /nfs/dbraw/zinc/75/40/60/597754060.db2.gz FTUSEIVZJHJIIW-OTWHNJEPSA-N 2 1 331.460 1.505 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883458842 597756447 /nfs/dbraw/zinc/75/64/47/597756447.db2.gz ZAPXBGRUTDGMLO-MRXNPFEDSA-N 2 1 349.479 1.270 20 0 EDADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000879947317 597779669 /nfs/dbraw/zinc/77/96/69/597779669.db2.gz DMBXGQRECFUDSU-QZTJIDSGSA-N 2 1 340.508 1.883 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC000879995814 597803077 /nfs/dbraw/zinc/80/30/77/597803077.db2.gz FZLWJOPXNQECGJ-SFHVURJKSA-N 2 1 349.450 1.879 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC000879995814 597803080 /nfs/dbraw/zinc/80/30/80/597803080.db2.gz FZLWJOPXNQECGJ-SFHVURJKSA-N 2 1 349.450 1.879 20 0 EDADMP COc1ccc([C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](C)CC3)C2)cc1F ZINC000879064777 597807928 /nfs/dbraw/zinc/80/79/28/597807928.db2.gz OURKMQVNIINSLV-OAHLLOKOSA-N 2 1 349.450 1.834 20 0 EDADMP COc1ccc([C@@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C)CC3)C2)cc1F ZINC000879064777 597807931 /nfs/dbraw/zinc/80/79/31/597807931.db2.gz OURKMQVNIINSLV-OAHLLOKOSA-N 2 1 349.450 1.834 20 0 EDADMP CN(CCC[NH3+])C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883586539 597815512 /nfs/dbraw/zinc/81/55/12/597815512.db2.gz NINHWUAGWMQKNT-QGZVFWFLSA-N 2 1 331.464 1.784 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000879211249 597850095 /nfs/dbraw/zinc/85/00/95/597850095.db2.gz DWQKTVILFODESF-BZUAXINKSA-N 2 1 341.496 1.536 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCC(C)(C)CO1 ZINC000883770346 597894970 /nfs/dbraw/zinc/89/49/70/597894970.db2.gz PANSKZVYORKSPS-JKSUJKDBSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCC(C)(C)CO1 ZINC000883770346 597894973 /nfs/dbraw/zinc/89/49/73/597894973.db2.gz PANSKZVYORKSPS-JKSUJKDBSA-N 2 1 342.528 1.763 20 0 EDADMP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000884227638 598036546 /nfs/dbraw/zinc/03/65/46/598036546.db2.gz UWPASDKQVBXFCP-CVEARBPZSA-N 2 1 325.497 1.770 20 0 EDADMP CN(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000881132895 598084583 /nfs/dbraw/zinc/08/45/83/598084583.db2.gz QHDZMSFWHOQNOT-SFHVURJKSA-N 2 1 345.491 1.996 20 0 EDADMP CC[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000914072865 695063601 /nfs/dbraw/zinc/06/36/01/695063601.db2.gz ZMLOQYVSDUMUSA-ZWKOTPCHSA-N 2 1 330.476 1.827 20 0 EDADMP CC[C@@H](CNC(=O)NC[C@H]1CC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000914072865 695063604 /nfs/dbraw/zinc/06/36/04/695063604.db2.gz ZMLOQYVSDUMUSA-ZWKOTPCHSA-N 2 1 330.476 1.827 20 0 EDADMP CC[C@@H](CNC(=O)NC[C@H]1CC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000914072865 695063607 /nfs/dbraw/zinc/06/36/07/695063607.db2.gz ZMLOQYVSDUMUSA-ZWKOTPCHSA-N 2 1 330.476 1.827 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)[C@@H](C)C1 ZINC000914179170 695258963 /nfs/dbraw/zinc/25/89/63/695258963.db2.gz CNRMWGOUGJDZPU-BBWFWOEESA-N 2 1 343.537 1.464 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@@H]2C1 ZINC000992764499 695300228 /nfs/dbraw/zinc/30/02/28/695300228.db2.gz BRYSGQCRRITQPK-ARFHVFGLSA-N 2 1 348.466 1.948 20 0 EDADMP CCOC1CC(C[NH+]2CC(NC(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001031188441 695706845 /nfs/dbraw/zinc/70/68/45/695706845.db2.gz MIHTYBFNHKUFOV-UHFFFAOYSA-N 2 1 337.508 1.722 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1CN(Cc2cncn2C)C1 ZINC001031237059 695940144 /nfs/dbraw/zinc/94/01/44/695940144.db2.gz RAGIPCKHRZIOOL-KRWDZBQOSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CCc2ccnn2C)[C@H]1C ZINC000993602884 696253461 /nfs/dbraw/zinc/25/34/61/696253461.db2.gz BMQMHVSDFQQEQV-RDJZCZTQSA-N 2 1 344.463 1.137 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CCc2ccnn2C)[C@H]1C ZINC000993602884 696253462 /nfs/dbraw/zinc/25/34/62/696253462.db2.gz BMQMHVSDFQQEQV-RDJZCZTQSA-N 2 1 344.463 1.137 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CC2CCOCC2)[C@H]1C ZINC000993589534 696265925 /nfs/dbraw/zinc/26/59/25/696265925.db2.gz KXJAKIZODJSVIU-RDJZCZTQSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CC2CCOCC2)[C@H]1C ZINC000993589534 696265926 /nfs/dbraw/zinc/26/59/26/696265926.db2.gz KXJAKIZODJSVIU-RDJZCZTQSA-N 2 1 334.464 1.587 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC[N@@H+]1CCCO ZINC000994115323 696539624 /nfs/dbraw/zinc/53/96/24/696539624.db2.gz RJWHEVAWMUKPGF-PBHICJAKSA-N 2 1 343.431 1.232 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC[N@H+]1CCCO ZINC000994115323 696539625 /nfs/dbraw/zinc/53/96/25/696539625.db2.gz RJWHEVAWMUKPGF-PBHICJAKSA-N 2 1 343.431 1.232 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)C1CC1 ZINC000916117338 696622921 /nfs/dbraw/zinc/62/29/21/696622921.db2.gz LZWVHXRTORYKPS-CABCVRRESA-N 2 1 326.510 1.350 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000916841698 696796498 /nfs/dbraw/zinc/79/64/98/696796498.db2.gz HACYSCSZKFMKDI-DOTOQJQBSA-N 2 1 338.496 1.271 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000916841698 696796501 /nfs/dbraw/zinc/79/65/01/696796501.db2.gz HACYSCSZKFMKDI-DOTOQJQBSA-N 2 1 338.496 1.271 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000916841698 696796503 /nfs/dbraw/zinc/79/65/03/696796503.db2.gz HACYSCSZKFMKDI-DOTOQJQBSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1[C@H](NC(=O)Cn2ccnc2)CCC[N@H+]1CC1CC(F)(F)C1 ZINC000994512419 696957185 /nfs/dbraw/zinc/95/71/85/696957185.db2.gz YVFWVEPPCDDETH-TZMCWYRMSA-N 2 1 326.391 1.898 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)cc1 ZINC000919842692 697342911 /nfs/dbraw/zinc/34/29/11/697342911.db2.gz UVDGJHFEWUBSJW-CVEARBPZSA-N 2 1 337.489 1.605 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)C1CCC1 ZINC001015796095 697400137 /nfs/dbraw/zinc/40/01/37/697400137.db2.gz JCPJPDBZVRVMGL-ZWKOTPCHSA-N 2 1 337.508 1.724 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC001031666358 697447303 /nfs/dbraw/zinc/44/73/03/697447303.db2.gz NMOGNCGYUUSQHK-MRXNPFEDSA-N 2 1 348.491 1.966 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC001031666358 697447304 /nfs/dbraw/zinc/44/73/04/697447304.db2.gz NMOGNCGYUUSQHK-MRXNPFEDSA-N 2 1 348.491 1.966 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001031674458 697483038 /nfs/dbraw/zinc/48/30/38/697483038.db2.gz JUPRETBBQXQWSN-INIZCTEOSA-N 2 1 346.475 1.435 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C[N@H+]1C1CC1 ZINC000921383952 697582401 /nfs/dbraw/zinc/58/24/01/697582401.db2.gz GLKOMMRPHZXEET-QGPMSJSTSA-N 2 1 345.491 1.999 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000921424716 697602811 /nfs/dbraw/zinc/60/28/11/697602811.db2.gz PBXPYVWOISTRQP-OIISXLGYSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000921424716 697602812 /nfs/dbraw/zinc/60/28/12/697602812.db2.gz PBXPYVWOISTRQP-OIISXLGYSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000921424716 697602813 /nfs/dbraw/zinc/60/28/13/697602813.db2.gz PBXPYVWOISTRQP-OIISXLGYSA-N 2 1 338.496 1.268 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cn(C)nc2C)C1 ZINC001031713539 697732993 /nfs/dbraw/zinc/73/29/93/697732993.db2.gz BPGPJGMLHPCCAB-KRWDZBQOSA-N 2 1 333.480 1.151 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cn(C)nc2C)C1 ZINC001031713539 697732997 /nfs/dbraw/zinc/73/29/97/697732997.db2.gz BPGPJGMLHPCCAB-KRWDZBQOSA-N 2 1 333.480 1.151 20 0 EDADMP O=C(NCC1C[NH+](C[C@H]2CCOC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001031730211 698066623 /nfs/dbraw/zinc/06/66/23/698066623.db2.gz HEKAIZHGNOQUQG-CRAIPNDOSA-N 2 1 335.492 1.478 20 0 EDADMP CC(C)=CC[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001040882908 698489356 /nfs/dbraw/zinc/48/93/56/698489356.db2.gz NMORMHLGQGSIHE-UHFFFAOYSA-N 2 1 349.519 1.989 20 0 EDADMP CC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000940124491 700258240 /nfs/dbraw/zinc/25/82/40/700258240.db2.gz FJUXREHXHNYSPX-IRXDYDNUSA-N 2 1 335.492 1.620 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766554 699063858 /nfs/dbraw/zinc/06/38/58/699063858.db2.gz KWKFLSDNXXWBTE-IEBWSBKVSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766554 699063862 /nfs/dbraw/zinc/06/38/62/699063862.db2.gz KWKFLSDNXXWBTE-IEBWSBKVSA-N 2 1 342.487 1.955 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCOc2cccc(F)c2)C1 ZINC001031771715 699093386 /nfs/dbraw/zinc/09/33/86/699093386.db2.gz GZFLAAXLCKYJDC-SFHVURJKSA-N 2 1 349.450 1.737 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)nc1 ZINC000939064052 699131180 /nfs/dbraw/zinc/13/11/80/699131180.db2.gz QBEDCJCXDPTZSI-ZBFHGGJFSA-N 2 1 331.464 1.063 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1nccs1 ZINC000939127346 699205188 /nfs/dbraw/zinc/20/51/88/699205188.db2.gz CLLRRTYXHZBYRQ-ZIAGYGMSSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939137932 699225855 /nfs/dbraw/zinc/22/58/55/699225855.db2.gz PLNNDKWTFYEROL-UKRRQHHQSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1[NH2+]CC1CC1 ZINC000939145364 699246122 /nfs/dbraw/zinc/24/61/22/699246122.db2.gz BMNZJXYDPUTUHQ-GUYCJALGSA-N 2 1 332.448 1.731 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001031806647 699431307 /nfs/dbraw/zinc/43/13/07/699431307.db2.gz JFRGYXNMFPRBGH-MSOLQXFVSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)o1 ZINC000939259913 699437897 /nfs/dbraw/zinc/43/78/97/699437897.db2.gz XGBSSRQDHSSWQJ-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)sn1 ZINC001031813179 699486113 /nfs/dbraw/zinc/48/61/13/699486113.db2.gz OTXJKDZTPIYKGS-UHFFFAOYSA-N 2 1 334.489 1.628 20 0 EDADMP Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC000939315560 699488828 /nfs/dbraw/zinc/48/88/28/699488828.db2.gz OXRZJBZAAJDDKW-PKOBYXMFSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)cs1 ZINC000939551266 699700425 /nfs/dbraw/zinc/70/04/25/699700425.db2.gz RSSBABLKCRHJKA-WFASDCNBSA-N 2 1 334.489 1.484 20 0 EDADMP COc1cc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)ccn1 ZINC000939748381 699895182 /nfs/dbraw/zinc/89/51/82/699895182.db2.gz PCSLWTOVANJUCU-CJNGLKHVSA-N 2 1 343.431 1.232 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000939748574 699895490 /nfs/dbraw/zinc/89/54/90/699895490.db2.gz QOWBNELJGZFZIZ-DOMZBBRYSA-N 2 1 347.850 1.877 20 0 EDADMP CC(C)c1cnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)o1 ZINC000939755292 699906435 /nfs/dbraw/zinc/90/64/35/699906435.db2.gz BPKBMNGEKSVICY-HUUCEWRRSA-N 2 1 334.464 1.830 20 0 EDADMP Cc1nc(CC[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)cs1 ZINC000939756998 699923938 /nfs/dbraw/zinc/92/39/38/699923938.db2.gz WJPUQZOGMWINAL-BLLLJJGKSA-N 2 1 347.488 1.636 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000940159331 700292238 /nfs/dbraw/zinc/29/22/38/700292238.db2.gz GXZWZHUNWMFVJK-HNNXBMFYSA-N 2 1 348.495 1.458 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC000940178234 700311756 /nfs/dbraw/zinc/31/17/56/700311756.db2.gz DBBCOXSRIFQZSE-MRXNPFEDSA-N 2 1 345.491 1.740 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC(C)([NH2+]C[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000940281900 700470705 /nfs/dbraw/zinc/47/07/05/700470705.db2.gz CMEDETSNQUIDNT-ULQDDVLXSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)co1 ZINC000940327943 700505446 /nfs/dbraw/zinc/50/54/46/700505446.db2.gz AFXIZCCNASFPGG-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)c(C)o1 ZINC000940327988 700505798 /nfs/dbraw/zinc/50/57/98/700505798.db2.gz BVSZJLXHCLXISI-CJNGLKHVSA-N 2 1 348.491 1.960 20 0 EDADMP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000940328367 700506412 /nfs/dbraw/zinc/50/64/12/700506412.db2.gz HUHAISUTMRVIGJ-ZBFHGGJFSA-N 2 1 348.491 1.905 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3ccnn3C)CC2)C1 ZINC000940328546 700507035 /nfs/dbraw/zinc/50/70/35/700507035.db2.gz KGPQVPPLEARTGA-OAHLLOKOSA-N 2 1 333.480 1.233 20 0 EDADMP Cn1nccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000995106614 700935287 /nfs/dbraw/zinc/93/52/87/700935287.db2.gz MRLOHIMCKPCTHP-JKSUJKDBSA-N 2 1 347.507 1.527 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3conc3C)C2)C1 ZINC001031917228 701001478 /nfs/dbraw/zinc/00/14/78/701001478.db2.gz RMCAGQSFUYRMCM-INIZCTEOSA-N 2 1 334.464 1.653 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3conc3C)C2)C1 ZINC001031917228 701001480 /nfs/dbraw/zinc/00/14/80/701001480.db2.gz RMCAGQSFUYRMCM-INIZCTEOSA-N 2 1 334.464 1.653 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000940990880 701043957 /nfs/dbraw/zinc/04/39/57/701043957.db2.gz CQZSDOIMIRUEIC-HIFRSBDPSA-N 2 1 337.464 1.552 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cncn3C)CC2(C)C)C1 ZINC000941033808 701077167 /nfs/dbraw/zinc/07/71/67/701077167.db2.gz VSBGBGRHSUMPDO-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3cncn3C)CC2(C)C)C1 ZINC000941033808 701077170 /nfs/dbraw/zinc/07/71/70/701077170.db2.gz VSBGBGRHSUMPDO-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3cncn3C)CC2(C)C)C1 ZINC000941033808 701077173 /nfs/dbraw/zinc/07/71/73/701077173.db2.gz VSBGBGRHSUMPDO-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CC[C@H]3CCCCO3)C2)CC[N@H+]1C ZINC001031925794 701126635 /nfs/dbraw/zinc/12/66/35/701126635.db2.gz NVTCZSKEBRYBIC-RYQLBKOJSA-N 2 1 337.508 1.724 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124011 701181949 /nfs/dbraw/zinc/18/19/49/701181949.db2.gz NIBAFFCXSOQOHR-DLBZAZTESA-N 2 1 339.524 1.970 20 0 EDADMP Cc1ncoc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941215704 701401779 /nfs/dbraw/zinc/40/17/79/701401779.db2.gz AEPWNKXIGAQOTP-ZBFHGGJFSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215704 701401780 /nfs/dbraw/zinc/40/17/80/701401780.db2.gz AEPWNKXIGAQOTP-ZBFHGGJFSA-N 2 1 334.464 1.651 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941237398 701428149 /nfs/dbraw/zinc/42/81/49/701428149.db2.gz MSMPGSRTVJCSIW-GOSISDBHSA-N 2 1 347.503 1.961 20 0 EDADMP CCCC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941443722 701535560 /nfs/dbraw/zinc/53/55/60/701535560.db2.gz RLUBXERAMHPXAP-KRWDZBQOSA-N 2 1 336.524 1.489 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3c(C)cccc3C)C2)C1 ZINC001032201532 701846661 /nfs/dbraw/zinc/84/66/61/701846661.db2.gz HAJMNNABZDEGBP-IBGZPJMESA-N 2 1 345.487 1.572 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3c(C)cccc3C)C2)C1 ZINC001032201532 701846667 /nfs/dbraw/zinc/84/66/67/701846667.db2.gz HAJMNNABZDEGBP-IBGZPJMESA-N 2 1 345.487 1.572 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)on1 ZINC000995824383 702095163 /nfs/dbraw/zinc/09/51/63/702095163.db2.gz ILZBRTIDNLJDTP-BMFZPTHFSA-N 2 1 334.464 1.650 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cnccc2C)C1 ZINC001032206008 702122101 /nfs/dbraw/zinc/12/21/01/702122101.db2.gz PBYPGIAIRUYNMQ-SFHVURJKSA-N 2 1 330.476 1.812 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cnccc2C)C1 ZINC001032206008 702122105 /nfs/dbraw/zinc/12/21/05/702122105.db2.gz PBYPGIAIRUYNMQ-SFHVURJKSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)no1 ZINC000995892838 702193668 /nfs/dbraw/zinc/19/36/68/702193668.db2.gz GIBSDJSZUDJBPH-JKSUJKDBSA-N 2 1 334.464 1.650 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)c(C)o1 ZINC000995894693 702197777 /nfs/dbraw/zinc/19/77/77/702197777.db2.gz KTHRDKLJJWZYJM-DLBZAZTESA-N 2 1 348.491 1.958 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCc4c3cc(F)cc4F)C2)C1 ZINC001032182800 702211121 /nfs/dbraw/zinc/21/11/21/702211121.db2.gz RGEMXEKXLKAXCV-FZKQIMNGSA-N 2 1 349.425 1.952 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCc4c3cc(F)cc4F)C2)C1 ZINC001032182800 702211126 /nfs/dbraw/zinc/21/11/26/702211126.db2.gz RGEMXEKXLKAXCV-FZKQIMNGSA-N 2 1 349.425 1.952 20 0 EDADMP Cn1ncnc1C[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995919310 702238888 /nfs/dbraw/zinc/23/88/88/702238888.db2.gz YQBCPYVMHSXLEF-GJZGRUSLSA-N 2 1 348.495 1.016 20 0 EDADMP Cn1ncnc1C[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995919310 702238891 /nfs/dbraw/zinc/23/88/91/702238891.db2.gz YQBCPYVMHSXLEF-GJZGRUSLSA-N 2 1 348.495 1.016 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC([NH2+]Cc2nncs2)C1 ZINC000999221778 706655064 /nfs/dbraw/zinc/65/50/64/706655064.db2.gz CYXYKPXBULNTAU-UHFFFAOYSA-N 2 1 337.493 1.492 20 0 EDADMP CCc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032186006 702313811 /nfs/dbraw/zinc/31/38/11/702313811.db2.gz FUHXHZCPVJFCIO-IBGZPJMESA-N 2 1 329.488 1.791 20 0 EDADMP CCn1cc(CN[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)nn1 ZINC000995986773 702349646 /nfs/dbraw/zinc/34/96/46/702349646.db2.gz ZHOLUCITRGXIGH-JKSUJKDBSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)nn1 ZINC000995986773 702349662 /nfs/dbraw/zinc/34/96/62/702349662.db2.gz ZHOLUCITRGXIGH-JKSUJKDBSA-N 2 1 348.495 1.109 20 0 EDADMP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)cn1 ZINC000995974053 702359461 /nfs/dbraw/zinc/35/94/61/702359461.db2.gz HGSFAUTZXACFKF-IAGOWNOFSA-N 2 1 347.507 1.274 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccns3)C2)CC[N@H+]1C ZINC000999210620 706663395 /nfs/dbraw/zinc/66/33/95/706663395.db2.gz UEIOXLBZYWHPOT-CWRNSKLLSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@@H]1C[N@@H+](CCc2ccns2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170391 702413325 /nfs/dbraw/zinc/41/33/25/702413325.db2.gz SNDAACBGWIILEM-ZBFHGGJFSA-N 2 1 348.516 1.608 20 0 EDADMP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)on1 ZINC000995195044 702421557 /nfs/dbraw/zinc/42/15/57/702421557.db2.gz HWHFQBGFIXDQTG-LSDHHAIUSA-N 2 1 331.420 1.563 20 0 EDADMP CC1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]Cc1ccon1 ZINC000996046040 702440587 /nfs/dbraw/zinc/44/05/87/702440587.db2.gz YZVOQNOOEXVHHG-MRXNPFEDSA-N 2 1 339.399 1.963 20 0 EDADMP CCn1ccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995196506 702442271 /nfs/dbraw/zinc/44/22/71/702442271.db2.gz LGGUEDHQBNSQHM-CVEARBPZSA-N 2 1 344.463 1.483 20 0 EDADMP CC1(C)CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1[NH2+]CC1CC1 ZINC000996058727 702467459 /nfs/dbraw/zinc/46/74/59/702467459.db2.gz LCDBMEOGEWJHTH-QGZVFWFLSA-N 2 1 330.476 1.999 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cncn3C)C(C)(C)C2)CC[N@H+]1C ZINC000996195404 702622179 /nfs/dbraw/zinc/62/21/79/702622179.db2.gz KATGVQMDZJJHBO-ZOBUZTSGSA-N 2 1 347.507 1.477 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)c(C)o1 ZINC000996221429 702632742 /nfs/dbraw/zinc/63/27/42/702632742.db2.gz IPYJIXXEOHPEFE-QGZVFWFLSA-N 2 1 348.491 1.960 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)C1 ZINC000996300220 702691618 /nfs/dbraw/zinc/69/16/18/702691618.db2.gz KJNCVSLUJWALQV-WBVHZDCISA-N 2 1 347.507 1.131 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996300442 702691743 /nfs/dbraw/zinc/69/17/43/702691743.db2.gz MGVXVTAWDFYVOL-PBHICJAKSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@H]([NH2+]CC3CC3)C(C)(C)C1)C2 ZINC000996310727 702700080 /nfs/dbraw/zinc/70/00/80/702700080.db2.gz PBXFFIFUARGMNX-WBVHZDCISA-N 2 1 330.476 1.991 20 0 EDADMP CC[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C)C(N)=O ZINC000996378753 702744565 /nfs/dbraw/zinc/74/45/65/702744565.db2.gz YRCKRXZCVIYOIL-UONOGXRCSA-N 2 1 349.479 1.097 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CC2)cn1 ZINC001032675766 706694969 /nfs/dbraw/zinc/69/49/69/706694969.db2.gz MHAVZYAPDIIALM-IRXDYDNUSA-N 2 1 331.464 1.144 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000995219495 702761402 /nfs/dbraw/zinc/76/14/02/702761402.db2.gz YWGKLJOGCFNVAQ-WBVHZDCISA-N 2 1 342.447 1.365 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000996465817 702793165 /nfs/dbraw/zinc/79/31/65/702793165.db2.gz YUWAKUJIVKUOOI-MRXNPFEDSA-N 2 1 333.480 1.374 20 0 EDADMP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996515374 702850980 /nfs/dbraw/zinc/85/09/80/702850980.db2.gz RHCQOTZXXJJTEX-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996517013 702852462 /nfs/dbraw/zinc/85/24/62/702852462.db2.gz DCJCQOQNJOLMNA-WBVHZDCISA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)nc1 ZINC000996517946 702853450 /nfs/dbraw/zinc/85/34/50/702853450.db2.gz CMLCKLWWQOKAOK-HNNXBMFYSA-N 2 1 343.475 1.207 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)C1 ZINC000996522331 702857649 /nfs/dbraw/zinc/85/76/49/702857649.db2.gz YQOPQOXDUVNCFF-PBHICJAKSA-N 2 1 348.466 1.889 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@H](C)c3nncn3C)CC2)CC[N@H+]1C ZINC000996602822 702906520 /nfs/dbraw/zinc/90/65/20/702906520.db2.gz HHEBVIAPMRVRLF-VNQPRFMTSA-N 2 1 348.495 1.187 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000996608427 702912245 /nfs/dbraw/zinc/91/22/45/702912245.db2.gz SHXMDJLTNRLSGI-UMVBOHGHSA-N 2 1 349.479 1.614 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+][C@H](C)c2cnccn2)C(C)(C)C1 ZINC000996610680 702915737 /nfs/dbraw/zinc/91/57/37/702915737.db2.gz JROVQYILJVDXJM-CZUORRHYSA-N 2 1 342.447 1.569 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996614374 702919689 /nfs/dbraw/zinc/91/96/89/702919689.db2.gz MYEZXRYRISXIJJ-GDBMZVCRSA-N 2 1 333.480 1.007 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)nn1 ZINC000996614288 702919719 /nfs/dbraw/zinc/91/97/19/702919719.db2.gz MRJXAQVWXNMPLN-HOCLYGCPSA-N 2 1 348.495 1.137 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)nn1 ZINC000996614288 702919721 /nfs/dbraw/zinc/91/97/21/702919721.db2.gz MRJXAQVWXNMPLN-HOCLYGCPSA-N 2 1 348.495 1.137 20 0 EDADMP CCn1cc(CC[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996615016 702922388 /nfs/dbraw/zinc/92/23/88/702922388.db2.gz ONGQDAJTWHCHIZ-SJORKVTESA-N 2 1 347.507 1.224 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)c(C)o1 ZINC000996615043 702922530 /nfs/dbraw/zinc/92/25/30/702922530.db2.gz OQJPIGCAZCIOTN-GOEBONIOSA-N 2 1 334.464 1.570 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)c(C)o1 ZINC000996615043 702922532 /nfs/dbraw/zinc/92/25/32/702922532.db2.gz OQJPIGCAZCIOTN-GOEBONIOSA-N 2 1 334.464 1.570 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]CCC3CCOCC3)C(C)(C)C2)C1 ZINC000996615644 702923124 /nfs/dbraw/zinc/92/31/24/702923124.db2.gz QDNUUEYDMLIQMR-IRXDYDNUSA-N 2 1 337.508 1.581 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(N[C@H](C)c2noc(C)n2)CC1 ZINC000996661543 702958537 /nfs/dbraw/zinc/95/85/37/702958537.db2.gz MENKPKFOAIOBRS-CJNGLKHVSA-N 2 1 349.479 1.894 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2noc(C)n2)CC1 ZINC000996661543 702958538 /nfs/dbraw/zinc/95/85/38/702958538.db2.gz MENKPKFOAIOBRS-CJNGLKHVSA-N 2 1 349.479 1.894 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2noc(C)n2)CC1 ZINC000996661543 702958539 /nfs/dbraw/zinc/95/85/39/702958539.db2.gz MENKPKFOAIOBRS-CJNGLKHVSA-N 2 1 349.479 1.894 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)nc2)CC1 ZINC000996661156 702958584 /nfs/dbraw/zinc/95/85/84/702958584.db2.gz LSICMWNDDWZISA-SFHVURJKSA-N 2 1 345.491 1.740 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([NH2+]C[C@H]2C[C@@]23CCOC3)CC1)C1CCC1 ZINC000996672906 702973966 /nfs/dbraw/zinc/97/39/66/702973966.db2.gz QGFAYUPNQHRVCQ-DNVCBOLYSA-N 2 1 335.492 1.478 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)no1 ZINC000996678273 702977018 /nfs/dbraw/zinc/97/70/18/702977018.db2.gz LXMCXADIWJGGCJ-IAQYHMDHSA-N 2 1 335.452 1.360 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000996680118 702978725 /nfs/dbraw/zinc/97/87/25/702978725.db2.gz SQAVDACTLNCAAH-IAGOWNOFSA-N 2 1 346.475 1.910 20 0 EDADMP CCn1ccc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000996688315 702985693 /nfs/dbraw/zinc/98/56/93/702985693.db2.gz IADWCCLWDNZEDU-GOSISDBHSA-N 2 1 347.507 1.858 20 0 EDADMP CCn1cc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)nn1 ZINC000996689270 702986681 /nfs/dbraw/zinc/98/66/81/702986681.db2.gz KXMUMEMAOYBMJF-KRWDZBQOSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000996692876 702990085 /nfs/dbraw/zinc/99/00/85/702990085.db2.gz ZMCFMZAMRDNXKZ-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP C[C@@H]1C[N@@H+](CCn2cccn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942594553 703107159 /nfs/dbraw/zinc/10/71/59/703107159.db2.gz KNPVZWQIUQHZSR-WBVHZDCISA-N 2 1 333.480 1.052 20 0 EDADMP Cn1cc(CC[NH+]2CC(CNC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)cn1 ZINC001032042538 703203393 /nfs/dbraw/zinc/20/33/93/703203393.db2.gz DEVBNOJXYPWZFF-ZWKOTPCHSA-N 2 1 345.491 1.028 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042863 703208993 /nfs/dbraw/zinc/20/89/93/703208993.db2.gz MLWKOZLVHLYGMY-SJLPKXTDSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032042863 703208995 /nfs/dbraw/zinc/20/89/95/703208995.db2.gz MLWKOZLVHLYGMY-SJLPKXTDSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)c(C)o1 ZINC000997001201 703257860 /nfs/dbraw/zinc/25/78/60/703257860.db2.gz SSPWIKXBMPEDDC-ZDUSSCGKSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)s1 ZINC000996996240 703259468 /nfs/dbraw/zinc/25/94/68/703259468.db2.gz WTGKOSUCFMOUNU-ZDUSSCGKSA-N 2 1 336.505 1.874 20 0 EDADMP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000996996737 703260269 /nfs/dbraw/zinc/26/02/69/703260269.db2.gz ZOZATWSSRPVUJA-ZDUSSCGKSA-N 2 1 347.463 1.512 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000996996737 703260270 /nfs/dbraw/zinc/26/02/70/703260270.db2.gz ZOZATWSSRPVUJA-ZDUSSCGKSA-N 2 1 347.463 1.512 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997005290 703262189 /nfs/dbraw/zinc/26/21/89/703262189.db2.gz HYJRAXJNCIHGSP-OLZOCXBDSA-N 2 1 335.452 1.361 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997005290 703262191 /nfs/dbraw/zinc/26/21/91/703262191.db2.gz HYJRAXJNCIHGSP-OLZOCXBDSA-N 2 1 335.452 1.361 20 0 EDADMP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997008979 703262298 /nfs/dbraw/zinc/26/22/98/703262298.db2.gz NQOAGZJOBYPXHL-HOCLYGCPSA-N 2 1 333.480 1.181 20 0 EDADMP Cn1ccc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)n1 ZINC000997007013 703264436 /nfs/dbraw/zinc/26/44/36/703264436.db2.gz NUIZOLYHUCGTPZ-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nncn2C)CC1 ZINC000997065056 703309641 /nfs/dbraw/zinc/30/96/41/703309641.db2.gz YHTIAKPIGGNSKJ-MRXNPFEDSA-N 2 1 348.495 1.159 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942820806 703329219 /nfs/dbraw/zinc/32/92/19/703329219.db2.gz AGLNQNJBKQIQAW-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[NH+](Cc2ccnn2C)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942820806 703329220 /nfs/dbraw/zinc/32/92/20/703329220.db2.gz AGLNQNJBKQIQAW-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[NH+](Cc2ccnn2C)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942820806 703329222 /nfs/dbraw/zinc/32/92/22/703329222.db2.gz AGLNQNJBKQIQAW-DOTOQJQBSA-N 2 1 347.507 1.479 20 0 EDADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@H]2CCCO2)CC1 ZINC001032699882 706737298 /nfs/dbraw/zinc/73/72/98/706737298.db2.gz BIWFOXKLQBPHHV-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP Cc1cncc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCOCC3)CC2)c1 ZINC000997094920 703334161 /nfs/dbraw/zinc/33/41/61/703334161.db2.gz WJZUAGCNRRZBQR-UHFFFAOYSA-N 2 1 346.475 1.193 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)o1 ZINC000997114624 703365650 /nfs/dbraw/zinc/36/56/50/703365650.db2.gz FDYUNFCQHORSCB-UHFFFAOYSA-N 2 1 349.479 1.445 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)cs1 ZINC000997179317 703463429 /nfs/dbraw/zinc/46/34/29/703463429.db2.gz IIBMKKYUGJLDOR-CQSZACIVSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC000997182552 703466878 /nfs/dbraw/zinc/46/68/78/703466878.db2.gz GQLUFIHEVUHMRV-CQSZACIVSA-N 2 1 336.505 1.874 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997180690 703470960 /nfs/dbraw/zinc/47/09/60/703470960.db2.gz MEYIRCVCGRLYOX-CRAIPNDOSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997180690 703470962 /nfs/dbraw/zinc/47/09/62/703470962.db2.gz MEYIRCVCGRLYOX-CRAIPNDOSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032702916 706752123 /nfs/dbraw/zinc/75/21/23/706752123.db2.gz DOOJYRVAOXGCRD-IRXDYDNUSA-N 2 1 325.416 1.822 20 0 EDADMP CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032702916 706752125 /nfs/dbraw/zinc/75/21/25/706752125.db2.gz DOOJYRVAOXGCRD-IRXDYDNUSA-N 2 1 325.416 1.822 20 0 EDADMP Cc1nc(CC[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cs1 ZINC000997296727 703555484 /nfs/dbraw/zinc/55/54/84/703555484.db2.gz BFPDBLDPRYNFAQ-CQSZACIVSA-N 2 1 336.505 1.526 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000997310219 703567200 /nfs/dbraw/zinc/56/72/00/703567200.db2.gz PCDFMFWGQFOZDO-HOCLYGCPSA-N 2 1 334.464 1.587 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCn1cccn1 ZINC001032433987 703612592 /nfs/dbraw/zinc/61/25/92/703612592.db2.gz WXXIEDFMBZRTJV-YESZJQIVSA-N 2 1 331.464 1.043 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCn1cccn1 ZINC001032433987 703612593 /nfs/dbraw/zinc/61/25/93/703612593.db2.gz WXXIEDFMBZRTJV-YESZJQIVSA-N 2 1 331.464 1.043 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1 ZINC001032433987 703612595 /nfs/dbraw/zinc/61/25/95/703612595.db2.gz WXXIEDFMBZRTJV-YESZJQIVSA-N 2 1 331.464 1.043 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1 ZINC001032433987 703612597 /nfs/dbraw/zinc/61/25/97/703612597.db2.gz WXXIEDFMBZRTJV-YESZJQIVSA-N 2 1 331.464 1.043 20 0 EDADMP Cc1nonc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997421102 703670736 /nfs/dbraw/zinc/67/07/36/703670736.db2.gz NUGGIYKARJVDAS-IUODEOHRSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1nonc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997421102 703670737 /nfs/dbraw/zinc/67/07/37/703670737.db2.gz NUGGIYKARJVDAS-IUODEOHRSA-N 2 1 335.452 1.046 20 0 EDADMP CCn1nncc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997517150 703767100 /nfs/dbraw/zinc/76/71/00/703767100.db2.gz VCUSKQHOTPYSTH-YOEHRIQHSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1nncc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997517150 703767101 /nfs/dbraw/zinc/76/71/01/703767101.db2.gz VCUSKQHOTPYSTH-YOEHRIQHSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1cc(C)c(C(=O)NC2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC000997556447 703828619 /nfs/dbraw/zinc/82/86/19/703828619.db2.gz KFJJXWDGUJZUOJ-HNNXBMFYSA-N 2 1 344.459 1.289 20 0 EDADMP CCc1onc(C)c1C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997612857 703910327 /nfs/dbraw/zinc/91/03/27/703910327.db2.gz KXBIIWMPEZXJGF-KRWDZBQOSA-N 2 1 348.491 1.968 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC000997614616 703914496 /nfs/dbraw/zinc/91/44/96/703914496.db2.gz RJCUXZKUUZVOOH-WFASDCNBSA-N 2 1 335.452 1.361 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC000997614616 703914498 /nfs/dbraw/zinc/91/44/98/703914498.db2.gz RJCUXZKUUZVOOH-WFASDCNBSA-N 2 1 335.452 1.361 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCc2ccns2)C(C)(C)C1 ZINC000995549236 703932362 /nfs/dbraw/zinc/93/23/62/703932362.db2.gz BOKUPGIEFDWGEO-HUUCEWRRSA-N 2 1 336.505 1.606 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2nccnc2C)CC1 ZINC001004207742 703967214 /nfs/dbraw/zinc/96/72/14/703967214.db2.gz ITHPWSGTFCXEOF-SFHVURJKSA-N 2 1 345.491 1.740 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2nccnc2C)CC1 ZINC001004207742 703967217 /nfs/dbraw/zinc/96/72/17/703967217.db2.gz ITHPWSGTFCXEOF-SFHVURJKSA-N 2 1 345.491 1.740 20 0 EDADMP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C)C1CCC1 ZINC001032521641 703974453 /nfs/dbraw/zinc/97/44/53/703974453.db2.gz GLQMRQGCZLWKRI-ULQDDVLXSA-N 2 1 332.448 1.292 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C)C1CCC1 ZINC001032521641 703974455 /nfs/dbraw/zinc/97/44/55/703974455.db2.gz GLQMRQGCZLWKRI-ULQDDVLXSA-N 2 1 332.448 1.292 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)no1 ZINC000999293924 706791372 /nfs/dbraw/zinc/79/13/72/706791372.db2.gz NTIBUAMVTLRAHF-QPDVLNQLSA-N 2 1 334.464 1.792 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)no1 ZINC000999293924 706791375 /nfs/dbraw/zinc/79/13/75/706791375.db2.gz NTIBUAMVTLRAHF-QPDVLNQLSA-N 2 1 334.464 1.792 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC001033082256 704138507 /nfs/dbraw/zinc/13/85/07/704138507.db2.gz PKEBHCNQCZHMBE-HOCLYGCPSA-N 2 1 334.489 1.518 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001033082256 704138511 /nfs/dbraw/zinc/13/85/11/704138511.db2.gz PKEBHCNQCZHMBE-HOCLYGCPSA-N 2 1 334.489 1.518 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033080312 704145861 /nfs/dbraw/zinc/14/58/61/704145861.db2.gz FVJJCGQSQKBCKO-HZPDHXFCSA-N 2 1 341.446 1.906 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC000999304888 706798883 /nfs/dbraw/zinc/79/88/83/706798883.db2.gz YDEDHLPTLMKLPX-HESLUPGFSA-N 2 1 349.479 1.441 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n1 ZINC000999304888 706798884 /nfs/dbraw/zinc/79/88/84/706798884.db2.gz YDEDHLPTLMKLPX-HESLUPGFSA-N 2 1 349.479 1.441 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997786871 704696038 /nfs/dbraw/zinc/69/60/38/704696038.db2.gz QQJQTMRRCLWNBC-FUHWJXTLSA-N 2 1 339.524 1.848 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3nc(C)no3)CC2)CC[N@@H+]1C ZINC000997791877 704700283 /nfs/dbraw/zinc/70/02/83/704700283.db2.gz AFGNTKOXFHEWDO-JKSUJKDBSA-N 2 1 349.479 1.437 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3nc(C)no3)CC2)CC[N@H+]1C ZINC000997791877 704700285 /nfs/dbraw/zinc/70/02/85/704700285.db2.gz AFGNTKOXFHEWDO-JKSUJKDBSA-N 2 1 349.479 1.437 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000997804386 704716279 /nfs/dbraw/zinc/71/62/79/704716279.db2.gz RFMMPICOXUVYEN-OALUTQOASA-N 2 1 349.519 1.868 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCOCC2)C[C@H]1C ZINC000944964912 704833971 /nfs/dbraw/zinc/83/39/71/704833971.db2.gz NCJYKANUFDQBLA-CRAIPNDOSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCC2CCOCC2)C[C@H]1C ZINC000944964912 704833978 /nfs/dbraw/zinc/83/39/78/704833978.db2.gz NCJYKANUFDQBLA-CRAIPNDOSA-N 2 1 348.491 1.835 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2ccon2)CC1 ZINC000997949066 705074422 /nfs/dbraw/zinc/07/44/22/705074422.db2.gz KMCSGIXDKACVDO-IAGOWNOFSA-N 2 1 334.464 1.972 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2ccon2)CC1 ZINC000997949066 705074428 /nfs/dbraw/zinc/07/44/28/705074428.db2.gz KMCSGIXDKACVDO-IAGOWNOFSA-N 2 1 334.464 1.972 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2ccon2)CC1 ZINC000997949066 705074432 /nfs/dbraw/zinc/07/44/32/705074432.db2.gz KMCSGIXDKACVDO-IAGOWNOFSA-N 2 1 334.464 1.972 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2ccon2)CC1 ZINC000997949066 705074438 /nfs/dbraw/zinc/07/44/38/705074438.db2.gz KMCSGIXDKACVDO-IAGOWNOFSA-N 2 1 334.464 1.972 20 0 EDADMP CCc1nocc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998080517 705306473 /nfs/dbraw/zinc/30/64/73/705306473.db2.gz BXNQQCDYWCEZDZ-WMLDXEAASA-N 2 1 348.491 1.763 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3ccnn3C)CC2)C1 ZINC000998083587 705312359 /nfs/dbraw/zinc/31/23/59/705312359.db2.gz WNRXGYOOILWSKZ-OAHLLOKOSA-N 2 1 333.480 1.090 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(Cc2nccn2C)CC1 ZINC000998188825 705493525 /nfs/dbraw/zinc/49/35/25/705493525.db2.gz KQHAEJOWDFEAKF-DLBZAZTESA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2nccn2C)CC1 ZINC000998188825 705493530 /nfs/dbraw/zinc/49/35/30/705493530.db2.gz KQHAEJOWDFEAKF-DLBZAZTESA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000998188825 705493533 /nfs/dbraw/zinc/49/35/33/705493533.db2.gz KQHAEJOWDFEAKF-DLBZAZTESA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](Cc2nccn2C)CC1 ZINC000998188825 705493535 /nfs/dbraw/zinc/49/35/35/705493535.db2.gz KQHAEJOWDFEAKF-DLBZAZTESA-N 2 1 347.507 1.575 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](Cc2nccn2C)CC1 ZINC000998188825 705493540 /nfs/dbraw/zinc/49/35/40/705493540.db2.gz KQHAEJOWDFEAKF-DLBZAZTESA-N 2 1 347.507 1.575 20 0 EDADMP CC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C(F)(F)F ZINC000998266661 705635366 /nfs/dbraw/zinc/63/53/66/705635366.db2.gz KWELXHACOUTZQJ-AAEUAGOBSA-N 2 1 348.369 1.739 20 0 EDADMP Cc1ccncc1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998273298 705653355 /nfs/dbraw/zinc/65/33/55/705653355.db2.gz OBGPHJRGMKUQCS-KRWDZBQOSA-N 2 1 330.476 1.670 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]Cc3cccnc3)CC2)C1 ZINC000998283170 705677906 /nfs/dbraw/zinc/67/79/06/705677906.db2.gz LGWPFMFTCJLJIQ-SFHVURJKSA-N 2 1 346.475 1.131 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]Cc3cccnc3)CC2)C1 ZINC000998283170 705677908 /nfs/dbraw/zinc/67/79/08/705677908.db2.gz LGWPFMFTCJLJIQ-SFHVURJKSA-N 2 1 346.475 1.131 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC000998553123 705990607 /nfs/dbraw/zinc/99/06/07/705990607.db2.gz VFSCSNJROFJILK-YMAMQOFZSA-N 2 1 347.463 1.510 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC000998553123 705990610 /nfs/dbraw/zinc/99/06/10/705990610.db2.gz VFSCSNJROFJILK-YMAMQOFZSA-N 2 1 347.463 1.510 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000998555199 705993932 /nfs/dbraw/zinc/99/39/32/705993932.db2.gz DDKLQQRMDXAFMP-NRXISQOPSA-N 2 1 336.867 1.908 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC([NH2+]CCc2ccccc2)C1 ZINC000998583035 706019128 /nfs/dbraw/zinc/01/91/28/706019128.db2.gz NKHRHTIJJPRDEY-DAWZGUTISA-N 2 1 331.460 1.139 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CCc2ccccc2)C1 ZINC000998583035 706019131 /nfs/dbraw/zinc/01/91/31/706019131.db2.gz NKHRHTIJJPRDEY-DAWZGUTISA-N 2 1 331.460 1.139 20 0 EDADMP CC(C)Cn1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998720202 706152824 /nfs/dbraw/zinc/15/28/24/706152824.db2.gz IRGRAHFLIHFMSE-JKSUJKDBSA-N 2 1 348.495 1.109 20 0 EDADMP CC(C)Cn1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998720202 706152826 /nfs/dbraw/zinc/15/28/26/706152826.db2.gz IRGRAHFLIHFMSE-JKSUJKDBSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998763964 706205316 /nfs/dbraw/zinc/20/53/16/706205316.db2.gz QJYHSAIWZCQFHE-LEOMRAHMSA-N 2 1 345.491 1.737 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cs1 ZINC000998823583 706270426 /nfs/dbraw/zinc/27/04/26/706270426.db2.gz IZQKQOUAQGBBTP-JKSUJKDBSA-N 2 1 337.489 1.468 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cs1 ZINC000998823583 706270428 /nfs/dbraw/zinc/27/04/28/706270428.db2.gz IZQKQOUAQGBBTP-JKSUJKDBSA-N 2 1 337.489 1.468 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccc(C)n2)C1 ZINC000998867293 706296893 /nfs/dbraw/zinc/29/68/93/706296893.db2.gz PZVWTFCZLPEOAK-JCYILVPMSA-N 2 1 345.491 1.738 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccc(C)n2)C1 ZINC000998867293 706296897 /nfs/dbraw/zinc/29/68/97/706296897.db2.gz PZVWTFCZLPEOAK-JCYILVPMSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000998900718 706337411 /nfs/dbraw/zinc/33/74/11/706337411.db2.gz GXEOZKSQOJGABO-GPANFISMSA-N 2 1 343.431 1.836 20 0 EDADMP Cc1nonc1CNC1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999036230 706450919 /nfs/dbraw/zinc/45/09/19/706450919.db2.gz QDLBZLIRVWVHJD-VMBOVVBDSA-N 2 1 349.479 1.577 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999036230 706450921 /nfs/dbraw/zinc/45/09/21/706450921.db2.gz QDLBZLIRVWVHJD-VMBOVVBDSA-N 2 1 349.479 1.577 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999036230 706450925 /nfs/dbraw/zinc/45/09/25/706450925.db2.gz QDLBZLIRVWVHJD-VMBOVVBDSA-N 2 1 349.479 1.577 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncccn2)C1 ZINC000999036849 706452043 /nfs/dbraw/zinc/45/20/43/706452043.db2.gz XGRNZBORHOOCCU-OFLPRAFFSA-N 2 1 345.491 1.676 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncccn2)C1 ZINC000999036849 706452044 /nfs/dbraw/zinc/45/20/44/706452044.db2.gz XGRNZBORHOOCCU-OFLPRAFFSA-N 2 1 345.491 1.676 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nccn3C)C2)C1 ZINC000999346841 706858638 /nfs/dbraw/zinc/85/86/38/706858638.db2.gz GMCQSELRVZMKEI-IRXDYDNUSA-N 2 1 347.507 1.479 20 0 EDADMP Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC000999364347 706878341 /nfs/dbraw/zinc/87/83/41/706878341.db2.gz MPOPJIVIPKSZIN-KRWDZBQOSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)ncn1 ZINC000999401612 706909267 /nfs/dbraw/zinc/90/92/67/706909267.db2.gz PFYNTQHZNZNSMA-FUHWJXTLSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000999402553 706911027 /nfs/dbraw/zinc/91/10/27/706911027.db2.gz SNCPVVWGSRKYTR-CVEARBPZSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC000999402553 706911028 /nfs/dbraw/zinc/91/10/28/706911028.db2.gz SNCPVVWGSRKYTR-CVEARBPZSA-N 2 1 334.464 1.938 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC000999407927 706917530 /nfs/dbraw/zinc/91/75/30/706917530.db2.gz XZMYBDOUIMAOJS-WLYUNCDWSA-N 2 1 349.479 1.585 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC000999407927 706917532 /nfs/dbraw/zinc/91/75/32/706917532.db2.gz XZMYBDOUIMAOJS-WLYUNCDWSA-N 2 1 349.479 1.585 20 0 EDADMP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC000999410515 706920269 /nfs/dbraw/zinc/92/02/69/706920269.db2.gz YGSBENGPSDRQHT-IGEOTXOUSA-N 2 1 331.464 1.206 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCC3CCCC3)C2)O1 ZINC000999499053 706997053 /nfs/dbraw/zinc/99/70/53/706997053.db2.gz YVWDXXHAHBLHMD-BPQIPLTHSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CCC3CCCC3)C2)O1 ZINC000999499053 706997056 /nfs/dbraw/zinc/99/70/56/706997056.db2.gz YVWDXXHAHBLHMD-BPQIPLTHSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000999510522 707008648 /nfs/dbraw/zinc/00/86/48/707008648.db2.gz LIWRHONRPFFULG-CVEARBPZSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999510522 707008650 /nfs/dbraw/zinc/00/86/50/707008650.db2.gz LIWRHONRPFFULG-CVEARBPZSA-N 2 1 331.464 1.350 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cn(C(C)C)nn2)C1)[NH+](C)C ZINC000999489247 707025480 /nfs/dbraw/zinc/02/54/80/707025480.db2.gz JIFXDYLZFAHTBN-GOEBONIOSA-N 2 1 336.484 1.280 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2cnns2)C1 ZINC000999491235 707027529 /nfs/dbraw/zinc/02/75/29/707027529.db2.gz RUCIEWYWDHXTRF-UHFFFAOYSA-N 2 1 348.476 1.637 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000999492216 707029023 /nfs/dbraw/zinc/02/90/23/707029023.db2.gz ZJHPKDYCRRFTAJ-UHFFFAOYSA-N 2 1 344.463 1.519 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1)[NH+](C)C ZINC000999495005 707031310 /nfs/dbraw/zinc/03/13/10/707031310.db2.gz KHUNZTYYLZXJEV-LSDHHAIUSA-N 2 1 334.464 1.973 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000999575919 707082817 /nfs/dbraw/zinc/08/28/17/707082817.db2.gz RFKALEJJSZBNJD-WBVHZDCISA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000999575919 707082820 /nfs/dbraw/zinc/08/28/20/707082820.db2.gz RFKALEJJSZBNJD-WBVHZDCISA-N 2 1 348.495 1.016 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)co1 ZINC000999596293 707099443 /nfs/dbraw/zinc/09/94/43/707099443.db2.gz KVBSQXBTFUJYSA-OAHLLOKOSA-N 2 1 332.448 1.692 20 0 EDADMP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)c1ncccn1 ZINC000999597917 707100565 /nfs/dbraw/zinc/10/05/65/707100565.db2.gz RZORDUXBMKJCSC-CVEARBPZSA-N 2 1 343.475 1.747 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cnccn2)C1 ZINC000999706490 707297418 /nfs/dbraw/zinc/29/74/18/707297418.db2.gz AONTVSZBKRYJCG-LSDHHAIUSA-N 2 1 328.420 1.323 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000999710256 707304256 /nfs/dbraw/zinc/30/42/56/707304256.db2.gz WWUVHVODGYAPBW-OAHLLOKOSA-N 2 1 325.372 1.717 20 0 EDADMP C[C@@H](C[NH2+]Cc1nc(Br)c[nH]1)CN1CC[NH+](C)CC1 ZINC000921686949 707344810 /nfs/dbraw/zinc/34/48/10/707344810.db2.gz ZQSQDJKTKSVKMR-NSHDSACASA-N 2 1 330.274 1.145 20 0 EDADMP Cc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033184935 707367323 /nfs/dbraw/zinc/36/73/23/707367323.db2.gz MICNRHOLYWFSJY-BHIYHBOVSA-N 2 1 345.487 1.747 20 0 EDADMP Cc1ccccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033184935 707367329 /nfs/dbraw/zinc/36/73/29/707367329.db2.gz MICNRHOLYWFSJY-BHIYHBOVSA-N 2 1 345.487 1.747 20 0 EDADMP Cc1ccccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033184935 707367335 /nfs/dbraw/zinc/36/73/35/707367335.db2.gz MICNRHOLYWFSJY-BHIYHBOVSA-N 2 1 345.487 1.747 20 0 EDADMP Cc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033184935 707367346 /nfs/dbraw/zinc/36/73/46/707367346.db2.gz MICNRHOLYWFSJY-BHIYHBOVSA-N 2 1 345.487 1.747 20 0 EDADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033196661 707411060 /nfs/dbraw/zinc/41/10/60/707411060.db2.gz DNTBFNGBSQAOAO-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033196661 707411063 /nfs/dbraw/zinc/41/10/63/707411063.db2.gz DNTBFNGBSQAOAO-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033196661 707411066 /nfs/dbraw/zinc/41/10/66/707411066.db2.gz DNTBFNGBSQAOAO-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP COc1nscc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999828746 707457342 /nfs/dbraw/zinc/45/73/42/707457342.db2.gz FNEIKXJAFVSUDL-LMWSTFAQSA-N 2 1 338.477 1.182 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000999832307 707463178 /nfs/dbraw/zinc/46/31/78/707463178.db2.gz CYGWHEOXLWZBCG-UHFFFAOYSA-N 2 1 332.448 1.727 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999876626 707524416 /nfs/dbraw/zinc/52/44/16/707524416.db2.gz PXSIHNFXYCVKPL-ABHNRTSZSA-N 2 1 347.507 1.416 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000999877112 707525947 /nfs/dbraw/zinc/52/59/47/707525947.db2.gz ZVTLHYXJJSFRQB-NRXISQOPSA-N 2 1 334.468 1.067 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccn(C)n3)C2)C1 ZINC000999973431 707585885 /nfs/dbraw/zinc/58/58/85/707585885.db2.gz KOGMFRQARZHZJG-AEFFLSMTSA-N 2 1 347.507 1.623 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033395843 707733936 /nfs/dbraw/zinc/73/39/36/707733936.db2.gz KRFCIRVYJQHAJJ-RBUKOAKNSA-N 2 1 345.487 1.595 20 0 EDADMP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733571 707741795 /nfs/dbraw/zinc/74/17/95/707741795.db2.gz AVAOJQDBSGQLNI-GJZGRUSLSA-N 2 1 346.500 1.375 20 0 EDADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733571 707741800 /nfs/dbraw/zinc/74/18/00/707741800.db2.gz AVAOJQDBSGQLNI-GJZGRUSLSA-N 2 1 346.500 1.375 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415868 707793494 /nfs/dbraw/zinc/79/34/94/707793494.db2.gz MBPFMXDTNRHVSF-GDBMZVCRSA-N 2 1 334.464 1.754 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415868 707793498 /nfs/dbraw/zinc/79/34/98/707793498.db2.gz MBPFMXDTNRHVSF-GDBMZVCRSA-N 2 1 334.464 1.754 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033415868 707793500 /nfs/dbraw/zinc/79/35/00/707793500.db2.gz MBPFMXDTNRHVSF-GDBMZVCRSA-N 2 1 334.464 1.754 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033415868 707793504 /nfs/dbraw/zinc/79/35/04/707793504.db2.gz MBPFMXDTNRHVSF-GDBMZVCRSA-N 2 1 334.464 1.754 20 0 EDADMP C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001004964619 707794083 /nfs/dbraw/zinc/79/40/83/707794083.db2.gz MOSHXPRIPDXQIT-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001033421439 707833566 /nfs/dbraw/zinc/83/35/66/707833566.db2.gz XDZCLTYZWDPYIW-UKRRQHHQSA-N 2 1 329.435 1.906 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001033421439 707833567 /nfs/dbraw/zinc/83/35/67/707833567.db2.gz XDZCLTYZWDPYIW-UKRRQHHQSA-N 2 1 329.435 1.906 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001033421439 707833570 /nfs/dbraw/zinc/83/35/70/707833570.db2.gz XDZCLTYZWDPYIW-UKRRQHHQSA-N 2 1 329.435 1.906 20 0 EDADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)no1 ZINC001004990584 707852018 /nfs/dbraw/zinc/85/20/18/707852018.db2.gz IQEMLGMDDLDWIK-WBVHZDCISA-N 2 1 334.464 1.938 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CCOCC1 ZINC001004994550 707881201 /nfs/dbraw/zinc/88/12/01/707881201.db2.gz VQXXITULPKBDEK-MAUKXSAKSA-N 2 1 348.491 1.977 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033472476 707960617 /nfs/dbraw/zinc/96/06/17/707960617.db2.gz WNSDFAFOPBSEJZ-ROUUACIJSA-N 2 1 347.507 1.679 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033472476 707960620 /nfs/dbraw/zinc/96/06/20/707960620.db2.gz WNSDFAFOPBSEJZ-ROUUACIJSA-N 2 1 347.507 1.679 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033472476 707960622 /nfs/dbraw/zinc/96/06/22/707960622.db2.gz WNSDFAFOPBSEJZ-ROUUACIJSA-N 2 1 347.507 1.679 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCc2c(F)cccc2F)C1 ZINC001032781480 707968767 /nfs/dbraw/zinc/96/87/67/707968767.db2.gz WYCROSYUUQFVGG-ILXRZTDVSA-N 2 1 349.425 1.744 20 0 EDADMP Cc1nccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@H]1CCOC1 ZINC001032784067 707982717 /nfs/dbraw/zinc/98/27/17/707982717.db2.gz FVCQXGWBPAQDDM-ULQDDVLXSA-N 2 1 332.448 1.293 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@H]1CCOC1 ZINC001032784067 707982722 /nfs/dbraw/zinc/98/27/22/707982722.db2.gz FVCQXGWBPAQDDM-ULQDDVLXSA-N 2 1 332.448 1.293 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@H]1CCOC1 ZINC001032784067 707982727 /nfs/dbraw/zinc/98/27/27/707982727.db2.gz FVCQXGWBPAQDDM-ULQDDVLXSA-N 2 1 332.448 1.293 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](C/C=C\Cl)CC2)O1 ZINC001001531306 708161862 /nfs/dbraw/zinc/16/18/62/708161862.db2.gz DXCQURYYCRYPIS-DFCLBCNGSA-N 2 1 329.872 1.286 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](C/C=C\Cl)CC2)O1 ZINC001001531306 708161865 /nfs/dbraw/zinc/16/18/65/708161865.db2.gz DXCQURYYCRYPIS-DFCLBCNGSA-N 2 1 329.872 1.286 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)o1 ZINC001033582337 708264564 /nfs/dbraw/zinc/26/45/64/708264564.db2.gz OCBRJGBQUVVCHI-HZPDHXFCSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001033582337 708264568 /nfs/dbraw/zinc/26/45/68/708264568.db2.gz OCBRJGBQUVVCHI-HZPDHXFCSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001033582337 708264572 /nfs/dbraw/zinc/26/45/72/708264572.db2.gz OCBRJGBQUVVCHI-HZPDHXFCSA-N 2 1 334.464 1.666 20 0 EDADMP CCc1cnc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001001794660 708309126 /nfs/dbraw/zinc/30/91/26/708309126.db2.gz KFMLNAXONYMVJO-UHFFFAOYSA-N 2 1 348.491 1.907 20 0 EDADMP Cc1ccncc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001831888 708357460 /nfs/dbraw/zinc/35/74/60/708357460.db2.gz BFXZTJUHYBTEMO-APWZRJJASA-N 2 1 344.503 1.916 20 0 EDADMP Cc1nc(CC[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)cs1 ZINC001033656544 708425590 /nfs/dbraw/zinc/42/55/90/708425590.db2.gz BUBWIBQBSFNDPQ-MRXNPFEDSA-N 2 1 336.505 1.623 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)c(C)n1 ZINC001033657572 708428829 /nfs/dbraw/zinc/42/88/29/708428829.db2.gz MUFULGQISUTRAA-SFHVURJKSA-N 2 1 330.476 1.827 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cc1C ZINC001033663471 708443611 /nfs/dbraw/zinc/44/36/11/708443611.db2.gz VYKCEBHHGHXKJR-MSOLQXFVSA-N 2 1 345.487 1.988 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1C ZINC001033663471 708443615 /nfs/dbraw/zinc/44/36/15/708443615.db2.gz VYKCEBHHGHXKJR-MSOLQXFVSA-N 2 1 345.487 1.988 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001033663471 708443618 /nfs/dbraw/zinc/44/36/18/708443618.db2.gz VYKCEBHHGHXKJR-MSOLQXFVSA-N 2 1 345.487 1.988 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001033664501 708446498 /nfs/dbraw/zinc/44/64/98/708446498.db2.gz HIUFMORGKGPSFK-LPHOPBHVSA-N 2 1 343.471 1.701 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001033664501 708446499 /nfs/dbraw/zinc/44/64/99/708446499.db2.gz HIUFMORGKGPSFK-LPHOPBHVSA-N 2 1 343.471 1.701 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001033664501 708446501 /nfs/dbraw/zinc/44/65/01/708446501.db2.gz HIUFMORGKGPSFK-LPHOPBHVSA-N 2 1 343.471 1.701 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033671197 708461471 /nfs/dbraw/zinc/46/14/71/708461471.db2.gz GEJWLXYVZBVPQR-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033671197 708461473 /nfs/dbraw/zinc/46/14/73/708461473.db2.gz GEJWLXYVZBVPQR-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001033671197 708461475 /nfs/dbraw/zinc/46/14/75/708461475.db2.gz GEJWLXYVZBVPQR-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001033671197 708461478 /nfs/dbraw/zinc/46/14/78/708461478.db2.gz GEJWLXYVZBVPQR-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033662167 708477056 /nfs/dbraw/zinc/47/70/56/708477056.db2.gz OGRDCOXSXUHEJG-HUUCEWRRSA-N 2 1 336.505 1.478 20 0 EDADMP Cc1ncsc1CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033662167 708477058 /nfs/dbraw/zinc/47/70/58/708477058.db2.gz OGRDCOXSXUHEJG-HUUCEWRRSA-N 2 1 336.505 1.478 20 0 EDADMP Cc1ncsc1CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033662167 708477062 /nfs/dbraw/zinc/47/70/62/708477062.db2.gz OGRDCOXSXUHEJG-HUUCEWRRSA-N 2 1 336.505 1.478 20 0 EDADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033682731 708494050 /nfs/dbraw/zinc/49/40/50/708494050.db2.gz COJQXOGRWSHBRJ-IAGOWNOFSA-N 2 1 346.475 1.158 20 0 EDADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033682731 708494053 /nfs/dbraw/zinc/49/40/53/708494053.db2.gz COJQXOGRWSHBRJ-IAGOWNOFSA-N 2 1 346.475 1.158 20 0 EDADMP CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033836142 708863744 /nfs/dbraw/zinc/86/37/44/708863744.db2.gz FXMWMOMAKQKADU-KRWDZBQOSA-N 2 1 347.507 1.781 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033837629 708867127 /nfs/dbraw/zinc/86/71/27/708867127.db2.gz TXLRVXYDOXAUIQ-AEFFLSMTSA-N 2 1 337.508 1.556 20 0 EDADMP CCn1nncc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005408345 708916026 /nfs/dbraw/zinc/91/60/26/708916026.db2.gz XHPRVKMOVXUNKS-RHSMWYFYSA-N 2 1 348.495 1.061 20 0 EDADMP CCn1nncc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005408345 708916029 /nfs/dbraw/zinc/91/60/29/708916029.db2.gz XHPRVKMOVXUNKS-RHSMWYFYSA-N 2 1 348.495 1.061 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOc2ccccc2)CC1 ZINC001002459763 708983439 /nfs/dbraw/zinc/98/34/39/708983439.db2.gz JQJLPFZFTXUYHA-SFHVURJKSA-N 2 1 331.460 1.740 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033907999 709040950 /nfs/dbraw/zinc/04/09/50/709040950.db2.gz WWABBVWBGOBRIF-VIHIWDAPSA-N 2 1 335.492 1.428 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033907999 709040953 /nfs/dbraw/zinc/04/09/53/709040953.db2.gz WWABBVWBGOBRIF-VIHIWDAPSA-N 2 1 335.492 1.428 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033907999 709040957 /nfs/dbraw/zinc/04/09/57/709040957.db2.gz WWABBVWBGOBRIF-VIHIWDAPSA-N 2 1 335.492 1.428 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033907998 709041147 /nfs/dbraw/zinc/04/11/47/709041147.db2.gz WWABBVWBGOBRIF-ISXWCOSWSA-N 2 1 335.492 1.428 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001033907998 709041151 /nfs/dbraw/zinc/04/11/51/709041151.db2.gz WWABBVWBGOBRIF-ISXWCOSWSA-N 2 1 335.492 1.428 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001033907998 709041156 /nfs/dbraw/zinc/04/11/56/709041156.db2.gz WWABBVWBGOBRIF-ISXWCOSWSA-N 2 1 335.492 1.428 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033940952 709147477 /nfs/dbraw/zinc/14/74/77/709147477.db2.gz MFONIAPBZYKNOX-SFHVURJKSA-N 2 1 348.466 1.985 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033940952 709147479 /nfs/dbraw/zinc/14/74/79/709147479.db2.gz MFONIAPBZYKNOX-SFHVURJKSA-N 2 1 348.466 1.985 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC001033942363 709149438 /nfs/dbraw/zinc/14/94/38/709149438.db2.gz ZVUJRNJVTJJAHQ-OAHLLOKOSA-N 2 1 336.505 1.908 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001033942363 709149439 /nfs/dbraw/zinc/14/94/39/709149439.db2.gz ZVUJRNJVTJJAHQ-OAHLLOKOSA-N 2 1 336.505 1.908 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001033942353 709149515 /nfs/dbraw/zinc/14/95/15/709149515.db2.gz ZTJIGAOAFNSXCO-GOSISDBHSA-N 2 1 345.491 1.550 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001033942353 709149516 /nfs/dbraw/zinc/14/95/16/709149516.db2.gz ZTJIGAOAFNSXCO-GOSISDBHSA-N 2 1 345.491 1.550 20 0 EDADMP CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034013790 709228443 /nfs/dbraw/zinc/22/84/43/709228443.db2.gz WUYZGDLJVZMSGS-MAUKXSAKSA-N 2 1 337.508 1.412 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001034018131 709235816 /nfs/dbraw/zinc/23/58/16/709235816.db2.gz XLSIMQZBAICUOE-KRWDZBQOSA-N 2 1 343.475 1.304 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001034018131 709235817 /nfs/dbraw/zinc/23/58/17/709235817.db2.gz XLSIMQZBAICUOE-KRWDZBQOSA-N 2 1 343.475 1.304 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001034037682 709270385 /nfs/dbraw/zinc/27/03/85/709270385.db2.gz DJRWXDDYUBIDKK-NVXWUHKLSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001034037682 709270387 /nfs/dbraw/zinc/27/03/87/709270387.db2.gz DJRWXDDYUBIDKK-NVXWUHKLSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001034037682 709270391 /nfs/dbraw/zinc/27/03/91/709270391.db2.gz DJRWXDDYUBIDKK-NVXWUHKLSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001034037682 709270393 /nfs/dbraw/zinc/27/03/93/709270393.db2.gz DJRWXDDYUBIDKK-NVXWUHKLSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034044436 709296461 /nfs/dbraw/zinc/29/64/61/709296461.db2.gz BABVXDGDAPLWJQ-QAPCUYQASA-N 2 1 333.476 1.665 20 0 EDADMP COCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005503888 709328832 /nfs/dbraw/zinc/32/88/32/709328832.db2.gz KTJWEVHJCWOPOX-SFHVURJKSA-N 2 1 337.508 1.963 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1)c1ccccc1 ZINC001032828550 709452910 /nfs/dbraw/zinc/45/29/10/709452910.db2.gz ICDWAHLSNSBIRN-KSZLIROESA-N 2 1 331.460 1.659 20 0 EDADMP CO[C@@H](C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC001032828550 709452912 /nfs/dbraw/zinc/45/29/12/709452912.db2.gz ICDWAHLSNSBIRN-KSZLIROESA-N 2 1 331.460 1.659 20 0 EDADMP CO[C@@H](C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC001032828550 709452914 /nfs/dbraw/zinc/45/29/14/709452914.db2.gz ICDWAHLSNSBIRN-KSZLIROESA-N 2 1 331.460 1.659 20 0 EDADMP CCc1nocc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002850935 709461548 /nfs/dbraw/zinc/46/15/48/709461548.db2.gz DRRMWCNJQCSKGA-CZUORRHYSA-N 2 1 334.464 1.658 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cc(C)ncn3)CC2)CC[N@@H+]1C ZINC001002858378 709466495 /nfs/dbraw/zinc/46/64/95/709466495.db2.gz DEJJSKKEYCMRPO-ZWKOTPCHSA-N 2 1 345.491 1.596 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cc(C)ncn3)CC2)CC[N@H+]1C ZINC001002858378 709466497 /nfs/dbraw/zinc/46/64/97/709466497.db2.gz DEJJSKKEYCMRPO-ZWKOTPCHSA-N 2 1 345.491 1.596 20 0 EDADMP CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001034208256 709557150 /nfs/dbraw/zinc/55/71/50/709557150.db2.gz AHTKJQBUXOXHFW-KSZLIROESA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034210503 709560806 /nfs/dbraw/zinc/56/08/06/709560806.db2.gz PFBSRLYGGBYMHS-INIZCTEOSA-N 2 1 335.496 1.685 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cnnn3C)C2)CC[N@@H+]1C ZINC001034216110 709570719 /nfs/dbraw/zinc/57/07/19/709570719.db2.gz DJNSZDQETZRQBL-BHYGNILZSA-N 2 1 348.495 1.016 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cnnn3C)C2)CC[N@H+]1C ZINC001034216110 709570722 /nfs/dbraw/zinc/57/07/22/709570722.db2.gz DJNSZDQETZRQBL-BHYGNILZSA-N 2 1 348.495 1.016 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cnnn3C)C2)CC[NH+]1C ZINC001034216110 709570725 /nfs/dbraw/zinc/57/07/25/709570725.db2.gz DJNSZDQETZRQBL-BHYGNILZSA-N 2 1 348.495 1.016 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cnnn3C)C2)CC[NH+]1C ZINC001034216110 709570729 /nfs/dbraw/zinc/57/07/29/709570729.db2.gz DJNSZDQETZRQBL-BHYGNILZSA-N 2 1 348.495 1.016 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)C1 ZINC000702605016 709700908 /nfs/dbraw/zinc/70/09/08/709700908.db2.gz STQZRBQYFFGEDJ-CPUCHLNUSA-N 2 1 339.480 1.479 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)C1 ZINC000702605016 709700912 /nfs/dbraw/zinc/70/09/12/709700912.db2.gz STQZRBQYFFGEDJ-CPUCHLNUSA-N 2 1 339.480 1.479 20 0 EDADMP COC[C@@H](C)[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290791 709715760 /nfs/dbraw/zinc/71/57/60/709715760.db2.gz IYGYDBVVQAKNQY-GDBMZVCRSA-N 2 1 330.432 1.954 20 0 EDADMP Cn1cc(C[N@@H+]2CCCC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001034291092 709716621 /nfs/dbraw/zinc/71/66/21/709716621.db2.gz PDRACLOBTKYNCN-KRWDZBQOSA-N 2 1 345.491 1.519 20 0 EDADMP Cn1cc(C[N@H+]2CCCC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001034291092 709716622 /nfs/dbraw/zinc/71/66/22/709716622.db2.gz PDRACLOBTKYNCN-KRWDZBQOSA-N 2 1 345.491 1.519 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)nc(C)[nH+]1 ZINC001061220613 709768653 /nfs/dbraw/zinc/76/86/53/709768653.db2.gz ILBWXQYIGVHUEL-INIZCTEOSA-N 2 1 343.475 1.616 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001034342957 709829879 /nfs/dbraw/zinc/82/98/79/709829879.db2.gz LEOBALXIQRNBOM-IPMKNSEASA-N 2 1 345.487 1.785 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001034342957 709829882 /nfs/dbraw/zinc/82/98/82/709829882.db2.gz LEOBALXIQRNBOM-IPMKNSEASA-N 2 1 345.487 1.785 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001034342957 709829887 /nfs/dbraw/zinc/82/98/87/709829887.db2.gz LEOBALXIQRNBOM-IPMKNSEASA-N 2 1 345.487 1.785 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC[N@H+]1C ZINC000702764983 709843443 /nfs/dbraw/zinc/84/34/43/709843443.db2.gz CBDQDPLQVJVXBN-TUVASFSCSA-N 2 1 327.469 1.287 20 0 EDADMP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001034377269 709897784 /nfs/dbraw/zinc/89/77/84/709897784.db2.gz KVOYZUSXXLEMOC-KRWDZBQOSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001034377269 709897789 /nfs/dbraw/zinc/89/77/89/709897789.db2.gz KVOYZUSXXLEMOC-KRWDZBQOSA-N 2 1 345.491 1.598 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3cncn3C)C2)C1 ZINC001034402683 709948740 /nfs/dbraw/zinc/94/87/40/709948740.db2.gz RVAAEFKXLGHHSM-HOTGVXAUSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3cncn3C)C2)C1 ZINC001034402683 709948742 /nfs/dbraw/zinc/94/87/42/709948742.db2.gz RVAAEFKXLGHHSM-HOTGVXAUSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](Cc3cncn3C)C2)C1 ZINC001034402683 709948744 /nfs/dbraw/zinc/94/87/44/709948744.db2.gz RVAAEFKXLGHHSM-HOTGVXAUSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](Cc3cncn3C)C2)C1 ZINC001034402683 709948745 /nfs/dbraw/zinc/94/87/45/709948745.db2.gz RVAAEFKXLGHHSM-HOTGVXAUSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001034491781 710112680 /nfs/dbraw/zinc/11/26/80/710112680.db2.gz XEADIFLYAXDCJV-MRXNPFEDSA-N 2 1 343.475 1.352 20 0 EDADMP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001034491781 710112683 /nfs/dbraw/zinc/11/26/83/710112683.db2.gz XEADIFLYAXDCJV-MRXNPFEDSA-N 2 1 343.475 1.352 20 0 EDADMP Cc1cccnc1C[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034486374 710133019 /nfs/dbraw/zinc/13/30/19/710133019.db2.gz JAMOPRGUKSVTKV-KRWDZBQOSA-N 2 1 342.487 1.957 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cccnc2)C1 ZINC001034530335 710186890 /nfs/dbraw/zinc/18/68/90/710186890.db2.gz VTDRTBPZMMAXDQ-QGZVFWFLSA-N 2 1 327.432 1.757 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cccnc2)C1 ZINC001034530335 710186893 /nfs/dbraw/zinc/18/68/93/710186893.db2.gz VTDRTBPZMMAXDQ-QGZVFWFLSA-N 2 1 327.432 1.757 20 0 EDADMP C[C@@H](F)CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003332017 710256624 /nfs/dbraw/zinc/25/66/24/710256624.db2.gz JUXLSUHKQVAAEG-GEMJLEDKSA-N 2 1 339.455 1.178 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)[nH]1 ZINC001034642519 710318196 /nfs/dbraw/zinc/31/81/96/710318196.db2.gz GJYXTHWKRUXVHF-BZUAXINKSA-N 2 1 348.495 1.503 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003423630 710339142 /nfs/dbraw/zinc/33/91/42/710339142.db2.gz KMAUZWUHLVYSLS-UHFFFAOYSA-N 2 1 345.491 1.740 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cncs3)CC2)CC[N@@H+]1C ZINC001003493433 710376188 /nfs/dbraw/zinc/37/61/88/710376188.db2.gz VBWMHFFEUDINSV-KBPBESRZSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cncs3)CC2)CC[N@H+]1C ZINC001003493433 710376189 /nfs/dbraw/zinc/37/61/89/710376189.db2.gz VBWMHFFEUDINSV-KBPBESRZSA-N 2 1 336.505 1.954 20 0 EDADMP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1)OC ZINC001003494960 710380360 /nfs/dbraw/zinc/38/03/60/710380360.db2.gz IAEMGGNTCJXEFF-DLBZAZTESA-N 2 1 341.496 1.101 20 0 EDADMP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1)OC ZINC001003494960 710380361 /nfs/dbraw/zinc/38/03/61/710380361.db2.gz IAEMGGNTCJXEFF-DLBZAZTESA-N 2 1 341.496 1.101 20 0 EDADMP Cc1oncc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003631155 710460318 /nfs/dbraw/zinc/46/03/18/710460318.db2.gz RTHJZFCSUSIEMS-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CCC[C@@H]3CCOC3)CC2)C1 ZINC001003631131 710460405 /nfs/dbraw/zinc/46/04/05/710460405.db2.gz RKFLATWWRKMINZ-DLBZAZTESA-N 2 1 337.508 1.726 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003635242 710462389 /nfs/dbraw/zinc/46/23/89/710462389.db2.gz NHRYXXCSEBSCHK-WBVHZDCISA-N 2 1 330.476 1.668 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1 ZINC001034692657 710782603 /nfs/dbraw/zinc/78/26/03/710782603.db2.gz NFRHJOKOHVUNDO-HDJSIYSDSA-N 2 1 333.461 1.865 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001034734268 710915705 /nfs/dbraw/zinc/91/57/05/710915705.db2.gz LXWVXVZXBNFFHA-RRCSTGOVSA-N 2 1 349.479 1.798 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnns3)CC2)C1 ZINC001034734321 710916096 /nfs/dbraw/zinc/91/60/96/710916096.db2.gz NQGVQADSKAGZJY-IHRRRGAJSA-N 2 1 337.493 1.397 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034735291 710919911 /nfs/dbraw/zinc/91/99/11/710919911.db2.gz DZBOHXACZAAUOY-MHORFTMASA-N 2 1 337.508 1.914 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034736590 710924442 /nfs/dbraw/zinc/92/44/42/710924442.db2.gz XPVJDGPQDIUWHZ-JYJNAYRXSA-N 2 1 331.464 1.478 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nc1 ZINC001034738620 710930071 /nfs/dbraw/zinc/93/00/71/710930071.db2.gz URBDDQZRCWHMAH-LUKYLMHMSA-N 2 1 345.491 1.500 20 0 EDADMP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034739211 710933682 /nfs/dbraw/zinc/93/36/82/710933682.db2.gz ZEGSYKMPVTYUIG-KCYZZUKISA-N 2 1 348.495 1.013 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC001034775614 711049615 /nfs/dbraw/zinc/04/96/15/711049615.db2.gz DXUWDDBMPATDTP-BZUAXINKSA-N 2 1 348.495 1.157 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034775842 711050150 /nfs/dbraw/zinc/05/01/50/711050150.db2.gz KKFANAUDSPBFBO-JYJNAYRXSA-N 2 1 334.464 1.842 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001034776682 711054106 /nfs/dbraw/zinc/05/41/06/711054106.db2.gz XIIZCFCZWJUCPD-SZMVWBNQSA-N 2 1 345.491 1.644 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034778470 711080344 /nfs/dbraw/zinc/08/03/44/711080344.db2.gz JDUCOZBDJZBZIV-JYJNAYRXSA-N 2 1 334.464 1.842 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1ncccn1 ZINC001034793303 711123257 /nfs/dbraw/zinc/12/32/57/711123257.db2.gz VUHXYXFATRQUMX-QKPAOTATSA-N 2 1 331.464 1.506 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3ccc(CO)cc3)CC2)C1 ZINC001003976976 711147792 /nfs/dbraw/zinc/14/77/92/711147792.db2.gz UWCNOHDDDHZRML-GOSISDBHSA-N 2 1 345.487 1.601 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](CCc3ccns3)CC2)C1 ZINC001003977948 711152200 /nfs/dbraw/zinc/15/22/00/711152200.db2.gz ZXDZNUIHWBXGIU-CQSZACIVSA-N 2 1 336.505 1.608 20 0 EDADMP O=C(NC1CC[NH+](Cc2cccc(Cl)n2)CC1)C12CC[NH+](CC1)C2 ZINC001003981153 711163637 /nfs/dbraw/zinc/16/36/37/711163637.db2.gz ZSSTUCMVJONVMU-UHFFFAOYSA-N 2 1 348.878 1.911 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2ccc(C[NH2+]CC3CC3)cc2)O1 ZINC001034821004 711222069 /nfs/dbraw/zinc/22/20/69/711222069.db2.gz NMWGTPKEEAPYMA-RDTXWAMCSA-N 2 1 331.460 1.522 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2ccc(C[NH2+]CC3CC3)cc2)O1 ZINC001034821004 711222075 /nfs/dbraw/zinc/22/20/75/711222075.db2.gz NMWGTPKEEAPYMA-RDTXWAMCSA-N 2 1 331.460 1.522 20 0 EDADMP Cc1ncc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2)o1 ZINC001034831035 711237611 /nfs/dbraw/zinc/23/76/11/711237611.db2.gz IJDRLSDIQHHYGE-KRWDZBQOSA-N 2 1 342.443 1.841 20 0 EDADMP Cc1ncc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2)o1 ZINC001034831035 711237614 /nfs/dbraw/zinc/23/76/14/711237614.db2.gz IJDRLSDIQHHYGE-KRWDZBQOSA-N 2 1 342.443 1.841 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccncc1Cl ZINC001034882765 711283794 /nfs/dbraw/zinc/28/37/94/711283794.db2.gz ZOXKUWOUQFBRQF-GDBMZVCRSA-N 2 1 336.867 1.910 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cn3ccccc3n1)C2 ZINC000922388131 711429871 /nfs/dbraw/zinc/42/98/71/711429871.db2.gz OOWHAPKTGQFXIM-RWQQGDIJSA-N 2 1 328.460 1.904 20 0 EDADMP Cc1ccncc1C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001034957843 711430298 /nfs/dbraw/zinc/43/02/98/711430298.db2.gz LRUSDWFBWBDVQB-GOSISDBHSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)ncn1 ZINC001034958047 711431160 /nfs/dbraw/zinc/43/11/60/711431160.db2.gz WRUWVNOAYLNZKR-QGZVFWFLSA-N 2 1 331.464 1.350 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]Cc1ccccn1 ZINC001034959098 711433273 /nfs/dbraw/zinc/43/32/73/711433273.db2.gz RKHSUDPASDFQDE-SJORKVTESA-N 2 1 339.443 1.936 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3n(n1)CCCC3)C2 ZINC000922389757 711438532 /nfs/dbraw/zinc/43/85/32/711438532.db2.gz JWWPFMFDCUMCFI-MKXGPGLRSA-N 2 1 332.492 1.789 20 0 EDADMP Cc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001034971523 711451332 /nfs/dbraw/zinc/45/13/32/711451332.db2.gz OSFAAOOVYMMIMS-ZTFGCOKTSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001034971523 711451335 /nfs/dbraw/zinc/45/13/35/711451335.db2.gz OSFAAOOVYMMIMS-ZTFGCOKTSA-N 2 1 346.475 1.190 20 0 EDADMP COc1cc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)sn1 ZINC001004140941 711539914 /nfs/dbraw/zinc/53/99/14/711539914.db2.gz APEKPLHZNQSMAW-LBPRGKRZSA-N 2 1 338.477 1.184 20 0 EDADMP COc1cc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)sn1 ZINC001004140941 711539917 /nfs/dbraw/zinc/53/99/17/711539917.db2.gz APEKPLHZNQSMAW-LBPRGKRZSA-N 2 1 338.477 1.184 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cccc(Cl)n3)CC2)C1 ZINC001004142020 711541733 /nfs/dbraw/zinc/54/17/33/711541733.db2.gz FZVHJCXMMFDJOB-ZDUSSCGKSA-N 2 1 336.867 1.767 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cccc(Cl)n3)CC2)C1 ZINC001004142020 711541737 /nfs/dbraw/zinc/54/17/37/711541737.db2.gz FZVHJCXMMFDJOB-ZDUSSCGKSA-N 2 1 336.867 1.767 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033127301 711877614 /nfs/dbraw/zinc/87/76/14/711877614.db2.gz UOEQEAWGHQOGJM-ROUUACIJSA-N 2 1 347.507 1.370 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001033127301 711877617 /nfs/dbraw/zinc/87/76/17/711877617.db2.gz UOEQEAWGHQOGJM-ROUUACIJSA-N 2 1 347.507 1.370 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001033127301 711877618 /nfs/dbraw/zinc/87/76/18/711877618.db2.gz UOEQEAWGHQOGJM-ROUUACIJSA-N 2 1 347.507 1.370 20 0 EDADMP CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001004521576 711920514 /nfs/dbraw/zinc/92/05/14/711920514.db2.gz LQWRVJOBKDHJIM-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001004521576 711920515 /nfs/dbraw/zinc/92/05/15/711920515.db2.gz LQWRVJOBKDHJIM-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001004521576 711920517 /nfs/dbraw/zinc/92/05/17/711920517.db2.gz LQWRVJOBKDHJIM-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001004521576 711920518 /nfs/dbraw/zinc/92/05/18/711920518.db2.gz LQWRVJOBKDHJIM-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP Cc1c(C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]3CC2)ccc2c[nH+]cn21 ZINC000946651698 712198729 /nfs/dbraw/zinc/19/87/29/712198729.db2.gz CKKFTSFGLRBHFU-IYBDPMFKSA-N 2 1 342.443 1.419 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000557670270 306232989 /nfs/dbraw/zinc/23/29/89/306232989.db2.gz USNUMOVLGVCTNR-MJGOQNOKSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000557670270 306232990 /nfs/dbraw/zinc/23/29/90/306232990.db2.gz USNUMOVLGVCTNR-MJGOQNOKSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000557670270 306232991 /nfs/dbraw/zinc/23/29/91/306232991.db2.gz USNUMOVLGVCTNR-MJGOQNOKSA-N 2 1 345.487 1.736 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](CO)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000174709645 231285816 /nfs/dbraw/zinc/28/58/16/231285816.db2.gz HCTOHFNYACGETH-MRXNPFEDSA-N 2 1 349.500 1.488 20 0 EDADMP O=C(C[N@@H+]1CC[C@@H](CO)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000174709645 231285821 /nfs/dbraw/zinc/28/58/21/231285821.db2.gz HCTOHFNYACGETH-MRXNPFEDSA-N 2 1 349.500 1.488 20 0 EDADMP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000186763759 529902193 /nfs/dbraw/zinc/90/21/93/529902193.db2.gz LMZNDINRPJGFIW-SFHVURJKSA-N 2 1 331.460 1.440 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000186763759 529902194 /nfs/dbraw/zinc/90/21/94/529902194.db2.gz LMZNDINRPJGFIW-SFHVURJKSA-N 2 1 331.460 1.440 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000186763759 529902196 /nfs/dbraw/zinc/90/21/96/529902196.db2.gz LMZNDINRPJGFIW-SFHVURJKSA-N 2 1 331.460 1.440 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000186763759 529902197 /nfs/dbraw/zinc/90/21/97/529902197.db2.gz LMZNDINRPJGFIW-SFHVURJKSA-N 2 1 331.460 1.440 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@](C)(O)C1 ZINC000177979568 232048855 /nfs/dbraw/zinc/04/88/55/232048855.db2.gz AZPCIKIIQHFXOC-HHXXYDBFSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](C)(O)C1 ZINC000177979568 232048857 /nfs/dbraw/zinc/04/88/57/232048857.db2.gz AZPCIKIIQHFXOC-HHXXYDBFSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](C)(O)C1 ZINC000177979568 232048863 /nfs/dbraw/zinc/04/88/63/232048863.db2.gz AZPCIKIIQHFXOC-HHXXYDBFSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000333454405 539630765 /nfs/dbraw/zinc/63/07/65/539630765.db2.gz XZSTVHSCDNEBSX-DAYGRLMNSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000333454405 539630768 /nfs/dbraw/zinc/63/07/68/539630768.db2.gz XZSTVHSCDNEBSX-DAYGRLMNSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000561202400 306284549 /nfs/dbraw/zinc/28/45/49/306284549.db2.gz AFNCIGFJQYFSSL-AEFFLSMTSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000333802951 539653788 /nfs/dbraw/zinc/65/37/88/539653788.db2.gz OITQJZMUATUWRH-QBYUYEEZSA-N 2 1 348.495 1.243 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1CCCOCC1 ZINC000249207232 539697910 /nfs/dbraw/zinc/69/79/10/539697910.db2.gz WKELBJNAEVUBMG-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000249207232 539697912 /nfs/dbraw/zinc/69/79/12/539697912.db2.gz WKELBJNAEVUBMG-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000249207232 539697915 /nfs/dbraw/zinc/69/79/15/539697915.db2.gz WKELBJNAEVUBMG-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP CC[NH+]1CCN(c2ccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339066318 539700341 /nfs/dbraw/zinc/70/03/41/539700341.db2.gz HHEFJWJAMPHYRW-OALUTQOASA-N 2 1 343.519 1.940 20 0 EDADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339066318 539700343 /nfs/dbraw/zinc/70/03/43/539700343.db2.gz HHEFJWJAMPHYRW-OALUTQOASA-N 3 1 343.519 1.940 20 0 EDADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339066318 539700346 /nfs/dbraw/zinc/70/03/46/539700346.db2.gz HHEFJWJAMPHYRW-OALUTQOASA-N 3 1 343.519 1.940 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000339266013 539704025 /nfs/dbraw/zinc/70/40/25/539704025.db2.gz RJBANQZYLVBDHL-KRWDZBQOSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@H]1C[C@@H](CO)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000561386959 306287355 /nfs/dbraw/zinc/28/73/55/306287355.db2.gz QVLAFDGKHSNJGG-XYJFISCASA-N 2 1 333.476 1.498 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000342989716 539772488 /nfs/dbraw/zinc/77/24/88/539772488.db2.gz PKRKPIYPHXSKLM-CVEARBPZSA-N 2 1 340.512 1.214 20 0 EDADMP CCOc1ccccc1CN1CCN(C[C@H](O)C[N@@H+](C)CC)[C@H](C)C1 ZINC000562442152 306298617 /nfs/dbraw/zinc/29/86/17/306298617.db2.gz KOTDLRXTULUXFW-IEBWSBKVSA-N 2 1 349.519 1.904 20 0 EDADMP CCOc1ccccc1C[N@@H+]1CCN(C[C@H](O)C[NH+](C)CC)[C@H](C)C1 ZINC000562442152 306298618 /nfs/dbraw/zinc/29/86/18/306298618.db2.gz KOTDLRXTULUXFW-IEBWSBKVSA-N 2 1 349.519 1.904 20 0 EDADMP CCOc1ccccc1C[N@H+]1CCN(C[C@H](O)C[NH+](C)CC)[C@H](C)C1 ZINC000562442152 306298619 /nfs/dbraw/zinc/29/86/19/306298619.db2.gz KOTDLRXTULUXFW-IEBWSBKVSA-N 2 1 349.519 1.904 20 0 EDADMP CCOc1ccccc1C[NH+]1CCN(C[C@H](O)C[N@H+](C)CC)[C@H](C)C1 ZINC000562442152 306298620 /nfs/dbraw/zinc/29/86/20/306298620.db2.gz KOTDLRXTULUXFW-IEBWSBKVSA-N 2 1 349.519 1.904 20 0 EDADMP CCOc1ccccc1C[NH+]1CCN(C[C@H](O)C[N@@H+](C)CC)[C@H](C)C1 ZINC000562442152 306298621 /nfs/dbraw/zinc/29/86/21/306298621.db2.gz KOTDLRXTULUXFW-IEBWSBKVSA-N 2 1 349.519 1.904 20 0 EDADMP OCC[NH+]1CCN(CCCC[NH2+]Cc2scnc2C2CC2)CC1 ZINC000487302151 540024102 /nfs/dbraw/zinc/02/41/02/540024102.db2.gz QVJJPEAYCCHBQK-UHFFFAOYSA-N 2 1 338.521 1.500 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)CCC[N@H+]1C ZINC000563161319 306321215 /nfs/dbraw/zinc/32/12/15/306321215.db2.gz XOXUABTVVPEPNP-ZMSDIMECSA-N 2 1 333.480 1.451 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000161625035 540036801 /nfs/dbraw/zinc/03/68/01/540036801.db2.gz MYQVMRGUUZKMJN-CWRNSKLLSA-N 2 1 337.489 1.872 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000161625035 540036804 /nfs/dbraw/zinc/03/68/04/540036804.db2.gz MYQVMRGUUZKMJN-CWRNSKLLSA-N 2 1 337.489 1.872 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000563211208 306323869 /nfs/dbraw/zinc/32/38/69/306323869.db2.gz RHRDVAASYWLEMG-SJORKVTESA-N 2 1 336.524 1.441 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000357940884 283061550 /nfs/dbraw/zinc/06/15/50/283061550.db2.gz GYORADQFHQKXRZ-INIZCTEOSA-N 2 1 336.524 1.393 20 0 EDADMP O=C(CCc1c[nH]cn1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000281224210 540075842 /nfs/dbraw/zinc/07/58/42/540075842.db2.gz OMIWVHFJTGBXCD-FUHWJXTLSA-N 2 1 342.443 1.342 20 0 EDADMP O=C(CCc1cnc[nH]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000281224210 540075847 /nfs/dbraw/zinc/07/58/47/540075847.db2.gz OMIWVHFJTGBXCD-FUHWJXTLSA-N 2 1 342.443 1.342 20 0 EDADMP O=C(CCc1cnc[nH]1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000281224210 540075851 /nfs/dbraw/zinc/07/58/51/540075851.db2.gz OMIWVHFJTGBXCD-FUHWJXTLSA-N 2 1 342.443 1.342 20 0 EDADMP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000413039487 304052136 /nfs/dbraw/zinc/05/21/36/304052136.db2.gz HRYCCHDNXDLREW-GDBMZVCRSA-N 2 1 334.464 1.691 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000413039487 304052137 /nfs/dbraw/zinc/05/21/37/304052137.db2.gz HRYCCHDNXDLREW-GDBMZVCRSA-N 2 1 334.464 1.691 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073210456 138215198 /nfs/dbraw/zinc/21/51/98/138215198.db2.gz BDAZHKJZVABSQB-CQSZACIVSA-N 2 1 337.468 1.238 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CCCC1 ZINC000563560666 306338963 /nfs/dbraw/zinc/33/89/63/306338963.db2.gz QEABSAJTCFCBIY-MRXNPFEDSA-N 2 1 331.464 1.612 20 0 EDADMP CC[C@H](CSC)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000091100034 138282005 /nfs/dbraw/zinc/28/20/05/138282005.db2.gz AJKQVMGTEZDDOC-HZPDHXFCSA-N 2 1 345.553 1.533 20 0 EDADMP CC[C@H](CSC)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000091100034 138282006 /nfs/dbraw/zinc/28/20/06/138282006.db2.gz AJKQVMGTEZDDOC-HZPDHXFCSA-N 2 1 345.553 1.533 20 0 EDADMP CC[C@H](CSC)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000091100034 138282007 /nfs/dbraw/zinc/28/20/07/138282007.db2.gz AJKQVMGTEZDDOC-HZPDHXFCSA-N 2 1 345.553 1.533 20 0 EDADMP CC[NH2+]CCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000563584632 306339940 /nfs/dbraw/zinc/33/99/40/306339940.db2.gz SSSAFIHCVIAUAG-QGZVFWFLSA-N 2 1 334.464 1.052 20 0 EDADMP C[C@@H]1CN(C(=O)C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000119098379 138313590 /nfs/dbraw/zinc/31/35/90/138313590.db2.gz NCRZACSKUUKGLF-JZXOWHBKSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918398 138302785 /nfs/dbraw/zinc/30/27/85/138302785.db2.gz NGAXHCOWANAHRK-GDBMZVCRSA-N 2 1 334.464 1.358 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000111241594 138308090 /nfs/dbraw/zinc/30/80/90/138308090.db2.gz WMJJBEQKXMXRRU-LJQANCHMSA-N 2 1 345.487 1.596 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCC3OCCO3)CC2)C[C@H](C)O1 ZINC000124579365 138327904 /nfs/dbraw/zinc/32/79/04/138327904.db2.gz WOIQDPKCHWYTOJ-IYBDPMFKSA-N 2 1 326.481 1.961 20 0 EDADMP C[C@@H]1C[C@@H](N(C)CCOc2cccc(S(C)(=O)=O)c2)CC[N@H+]1C ZINC000123546294 138319256 /nfs/dbraw/zinc/31/92/56/138319256.db2.gz MUDUYAPYJXVPIW-CABCVRRESA-N 2 1 340.489 1.883 20 0 EDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)[C@@H]1C ZINC000354335001 291120775 /nfs/dbraw/zinc/12/07/75/291120775.db2.gz PMSPNWDZJLNCKC-QZWWFDLISA-N 2 1 326.481 1.791 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000130505798 223158134 /nfs/dbraw/zinc/15/81/34/223158134.db2.gz CIFGRTNYDCUGII-SNVBAGLBSA-N 2 1 349.357 1.290 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000130505798 223158137 /nfs/dbraw/zinc/15/81/37/223158137.db2.gz CIFGRTNYDCUGII-SNVBAGLBSA-N 2 1 349.357 1.290 20 0 EDADMP c1ccc(-n2nnnc2CC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000565709031 306389144 /nfs/dbraw/zinc/38/91/44/306389144.db2.gz WQWPCKVDLRNJKW-NVXWUHKLSA-N 2 1 326.448 1.669 20 0 EDADMP Cc1cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nn1C ZINC000414445393 304115164 /nfs/dbraw/zinc/11/51/64/304115164.db2.gz WIGBTWFYRQIARE-UHFFFAOYSA-N 2 1 347.507 1.543 20 0 EDADMP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000370773235 296069082 /nfs/dbraw/zinc/06/90/82/296069082.db2.gz NQMODOIBVNVTRD-JQHSSLGASA-N 2 1 335.492 1.620 20 0 EDADMP COc1nccnc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414523012 304121841 /nfs/dbraw/zinc/12/18/41/304121841.db2.gz HPPAERPQKACNBZ-UHFFFAOYSA-N 2 1 342.443 1.602 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000414698004 304128901 /nfs/dbraw/zinc/12/89/01/304128901.db2.gz HIHZHJDFIRTDMW-CQSZACIVSA-N 2 1 332.448 1.335 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000414710956 304131437 /nfs/dbraw/zinc/13/14/37/304131437.db2.gz SHGRZICFPSLTRI-JKSUJKDBSA-N 2 1 330.432 1.088 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000414731735 304134269 /nfs/dbraw/zinc/13/42/69/304134269.db2.gz AQGZQKDMYWLQKC-RBSFLKMASA-N 2 1 346.475 1.881 20 0 EDADMP CC(C)[N@H+]1CCc2nc(CN[C@@H]3C[NH2+]CCC3(F)F)sc2C1 ZINC000415007576 304149929 /nfs/dbraw/zinc/14/99/29/304149929.db2.gz VCDZPYQEUMCZBC-CYBMUJFWSA-N 2 1 330.448 1.996 20 0 EDADMP COc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000415020740 304151366 /nfs/dbraw/zinc/15/13/66/304151366.db2.gz UCFRVNWCQLJJHI-ZIAGYGMSSA-N 2 1 335.448 1.522 20 0 EDADMP c1nc(N2CCOCC2)sc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415059870 304155512 /nfs/dbraw/zinc/15/55/12/304155512.db2.gz XREZSXRTINOSDB-HOCLYGCPSA-N 2 1 336.505 1.944 20 0 EDADMP c1nc(N2CCOCC2)sc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415059870 304155514 /nfs/dbraw/zinc/15/55/14/304155514.db2.gz XREZSXRTINOSDB-HOCLYGCPSA-N 2 1 336.505 1.944 20 0 EDADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)o1 ZINC000415119958 304161335 /nfs/dbraw/zinc/16/13/35/304161335.db2.gz FOILDBIVPZXTFI-HNNXBMFYSA-N 2 1 341.419 1.865 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415153297 304166159 /nfs/dbraw/zinc/16/61/59/304166159.db2.gz CPJCTRIMGLUFKO-CVEARBPZSA-N 2 1 344.459 1.430 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000415157094 304167297 /nfs/dbraw/zinc/16/72/97/304167297.db2.gz CWLRNHWAKHWPNJ-YSVLISHTSA-N 2 1 344.459 1.588 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000236972397 139036983 /nfs/dbraw/zinc/03/69/83/139036983.db2.gz BWRHORUWDUFEHJ-XUWXXGDYSA-N 2 1 349.475 1.768 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000236972397 139036984 /nfs/dbraw/zinc/03/69/84/139036984.db2.gz BWRHORUWDUFEHJ-XUWXXGDYSA-N 2 1 349.475 1.768 20 0 EDADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000236988826 139037420 /nfs/dbraw/zinc/03/74/20/139037420.db2.gz BQCDLXWFNQLYSS-CRAIPNDOSA-N 2 1 332.492 1.424 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)CC1 ZINC000237215213 139044618 /nfs/dbraw/zinc/04/46/18/139044618.db2.gz NDFUXLZRGHJWJW-HXUWFJFHSA-N 2 1 344.503 1.582 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)nc(C)[nH+]1 ZINC000237288901 139046657 /nfs/dbraw/zinc/04/66/57/139046657.db2.gz HMEAFPFDRIJPCV-HUUCEWRRSA-N 2 1 331.464 1.648 20 0 EDADMP C[C@]1(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCC[NH2+]C1 ZINC000237571986 139054390 /nfs/dbraw/zinc/05/43/90/139054390.db2.gz AMUIZUVNKHZIHK-IBGZPJMESA-N 2 1 331.460 1.525 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N2CCC[N@H+](C)CC2)c2ccccc2)CC1 ZINC000111660891 220176818 /nfs/dbraw/zinc/17/68/18/220176818.db2.gz VLIBLECQMWIQCX-GOSISDBHSA-N 2 1 330.476 1.139 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N2CCC[N@@H+](C)CC2)c2ccccc2)CC1 ZINC000111660891 220176820 /nfs/dbraw/zinc/17/68/20/220176820.db2.gz VLIBLECQMWIQCX-GOSISDBHSA-N 2 1 330.476 1.139 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000111834689 220201234 /nfs/dbraw/zinc/20/12/34/220201234.db2.gz PPACYLLJNXNANN-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000567636224 306457477 /nfs/dbraw/zinc/45/74/77/306457477.db2.gz NYKUURYAZMAZHN-MRXNPFEDSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246556183 139112785 /nfs/dbraw/zinc/11/27/85/139112785.db2.gz KRHGIZIOQSKSNA-IOASZLSFSA-N 2 1 334.464 1.312 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COCc2cccc(OC)c2)C1 ZINC000247410855 139148207 /nfs/dbraw/zinc/14/82/07/139148207.db2.gz YZPBFTSRENIYQS-ZWKOTPCHSA-N 2 1 336.476 1.846 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COCc2cccc(OC)c2)C1 ZINC000247410855 139148208 /nfs/dbraw/zinc/14/82/08/139148208.db2.gz YZPBFTSRENIYQS-ZWKOTPCHSA-N 2 1 336.476 1.846 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COCc2cccc(OC)c2)C1 ZINC000247410855 139148209 /nfs/dbraw/zinc/14/82/09/139148209.db2.gz YZPBFTSRENIYQS-ZWKOTPCHSA-N 2 1 336.476 1.846 20 0 EDADMP CCCCOC[C@@H](O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248651847 139170274 /nfs/dbraw/zinc/17/02/74/139170274.db2.gz NESJIZQWKPWWLX-MSOLQXFVSA-N 2 1 327.513 1.266 20 0 EDADMP CCCCOC[C@@H](O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248651847 139170275 /nfs/dbraw/zinc/17/02/75/139170275.db2.gz NESJIZQWKPWWLX-MSOLQXFVSA-N 2 1 327.513 1.266 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248826368 139176683 /nfs/dbraw/zinc/17/66/83/139176683.db2.gz LZLYBDYCLGYMLG-AEFFLSMTSA-N 2 1 330.476 1.854 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248826368 139176684 /nfs/dbraw/zinc/17/66/84/139176684.db2.gz LZLYBDYCLGYMLG-AEFFLSMTSA-N 2 1 330.476 1.854 20 0 EDADMP CCOC1CC(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)(N2CCOCC2)C1 ZINC000248989358 139182502 /nfs/dbraw/zinc/18/25/02/139182502.db2.gz MYYLONNYAFOKOH-BMHOQUIDSA-N 2 1 339.524 1.576 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000253146298 139205380 /nfs/dbraw/zinc/20/53/80/139205380.db2.gz JGVSPFFXICMOEJ-HUUCEWRRSA-N 2 1 345.491 1.782 20 0 EDADMP [NH3+]Cc1nc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cs1 ZINC000569101916 306496354 /nfs/dbraw/zinc/49/63/54/306496354.db2.gz HFUXVSATVKBNMH-OLZOCXBDSA-N 2 1 334.420 1.698 20 0 EDADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)c1)C1CC1 ZINC000415453320 304221973 /nfs/dbraw/zinc/22/19/73/304221973.db2.gz MXSPWKOPPMEWFF-QGZVFWFLSA-N 2 1 344.459 1.115 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000261743193 139222412 /nfs/dbraw/zinc/22/24/12/139222412.db2.gz TUXNIKCKNUHSQS-UHFFFAOYSA-N 2 1 339.524 1.973 20 0 EDADMP C[C@H]1C[NH+](CCC2CCN(Cc3noc(C[NH3+])n3)CC2)C[C@H](C)O1 ZINC000261799409 139226974 /nfs/dbraw/zinc/22/69/74/139226974.db2.gz QUZFJICZMRMAHI-KBPBESRZSA-N 2 1 337.468 1.240 20 0 EDADMP COC[C@H](N)C(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000262031755 139245266 /nfs/dbraw/zinc/24/52/66/139245266.db2.gz JXTQTSYHUYXYPJ-JYJNAYRXSA-N 2 1 341.402 1.579 20 0 EDADMP CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OCC ZINC000262087867 139249775 /nfs/dbraw/zinc/24/97/75/139249775.db2.gz GIXDUIKJRQWZSE-QGZVFWFLSA-N 2 1 333.476 1.964 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000262102586 139250952 /nfs/dbraw/zinc/25/09/52/139250952.db2.gz DPIRKGJZKXFTAQ-AWEZNQCLSA-N 2 1 339.402 1.617 20 0 EDADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)c1 ZINC000262249505 139263453 /nfs/dbraw/zinc/26/34/53/139263453.db2.gz WTLFZFWOKHIBNX-QGZVFWFLSA-N 2 1 347.459 1.663 20 0 EDADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1ccccc1 ZINC000262286491 139266728 /nfs/dbraw/zinc/26/67/28/139266728.db2.gz VLCQKPSPEHSCJE-RDJZCZTQSA-N 2 1 344.459 1.205 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1ccccc1 ZINC000262286491 139266729 /nfs/dbraw/zinc/26/67/29/139266729.db2.gz VLCQKPSPEHSCJE-RDJZCZTQSA-N 2 1 344.459 1.205 20 0 EDADMP [NH3+][C@H](CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000416883548 251117681 /nfs/dbraw/zinc/11/76/81/251117681.db2.gz OCNCEYKPPCVKOO-QGZVFWFLSA-N 2 1 332.448 1.055 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417010769 251130234 /nfs/dbraw/zinc/13/02/34/251130234.db2.gz QIMLBMZRHDZEBU-IBGZPJMESA-N 2 1 328.460 1.440 20 0 EDADMP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000417087394 251140933 /nfs/dbraw/zinc/14/09/33/251140933.db2.gz ZYNVJAWNGPNNJC-ZWKOTPCHSA-N 2 1 330.476 1.826 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000417219411 251147886 /nfs/dbraw/zinc/14/78/86/251147886.db2.gz JGOVLPAZJZOYAY-CQSZACIVSA-N 2 1 336.505 1.747 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000417219411 251147888 /nfs/dbraw/zinc/14/78/88/251147888.db2.gz JGOVLPAZJZOYAY-CQSZACIVSA-N 2 1 336.505 1.747 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000417562375 251188585 /nfs/dbraw/zinc/18/85/85/251188585.db2.gz FTMBSQYFQOSLPP-HNNXBMFYSA-N 2 1 326.485 1.448 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])c1ccccc1 ZINC000417494121 251178913 /nfs/dbraw/zinc/17/89/13/251178913.db2.gz OYIOWZUGQHBRBL-UXLLHSPISA-N 2 1 336.480 1.731 20 0 EDADMP C[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000417587597 251200311 /nfs/dbraw/zinc/20/03/11/251200311.db2.gz OAAORXMUMWISCJ-DOTOQJQBSA-N 2 1 334.464 1.266 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NC3(C)CC[NH2+]CC3)CC2)[nH+]1 ZINC000417704878 251235299 /nfs/dbraw/zinc/23/52/99/251235299.db2.gz SYKOYOKBJDWHMI-UHFFFAOYSA-N 2 1 331.464 1.800 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3CCC[C@H]3C[NH3+])CC2)[nH+]1 ZINC000417705269 251236087 /nfs/dbraw/zinc/23/60/87/251236087.db2.gz UHVLUZXHKHGEKN-HOCLYGCPSA-N 2 1 331.464 1.785 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417727349 251244235 /nfs/dbraw/zinc/24/42/35/251244235.db2.gz JBUHNBQHOJMKCA-SJLPKXTDSA-N 2 1 345.491 1.330 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H]1c1cccs1 ZINC000417731065 251246025 /nfs/dbraw/zinc/24/60/25/251246025.db2.gz FGTZJXVKQSBVSP-AIANPOQGSA-N 2 1 348.516 1.992 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417738642 251251021 /nfs/dbraw/zinc/25/10/21/251251021.db2.gz XPIZFVKPECJEIE-YJBOKZPZSA-N 2 1 345.491 1.234 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@H]3CCC[C@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000417835057 251290432 /nfs/dbraw/zinc/29/04/32/251290432.db2.gz NNHANQGBKOYGFB-HOCLYGCPSA-N 2 1 346.479 1.489 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000417792664 251272633 /nfs/dbraw/zinc/27/26/33/251272633.db2.gz JOALFKGRQFQYGQ-ZDUSSCGKSA-N 2 1 325.416 1.775 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417813890 251280491 /nfs/dbraw/zinc/28/04/91/251280491.db2.gz AMTBHWDDTPBSHW-GDAAHCPNSA-N 2 1 342.487 1.758 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(CC[NH3+])CCc2ccccc2)C[N@H+]1C1CC1 ZINC000417858334 251300593 /nfs/dbraw/zinc/30/05/93/251300593.db2.gz PKKMZZZVKQCACU-WBVHZDCISA-N 2 1 330.476 1.825 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418423401 251367206 /nfs/dbraw/zinc/36/72/06/251367206.db2.gz CEOYABVZKGPEGU-TWMKSMIVSA-N 2 1 340.512 1.643 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000418423401 251367210 /nfs/dbraw/zinc/36/72/10/251367210.db2.gz CEOYABVZKGPEGU-TWMKSMIVSA-N 2 1 340.512 1.643 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC[N@H+]1CCOC ZINC000418427579 251368170 /nfs/dbraw/zinc/36/81/70/251368170.db2.gz OHKGNAKJBXIPES-HZPDHXFCSA-N 2 1 328.501 1.502 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000418135076 251338667 /nfs/dbraw/zinc/33/86/67/251338667.db2.gz HIRXSGHTLDFUBE-FUHWJXTLSA-N 2 1 330.476 1.887 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000418198252 251354950 /nfs/dbraw/zinc/35/49/50/251354950.db2.gz VALBUWKVXNIDFU-QXCFHYIPSA-N 2 1 342.487 1.900 20 0 EDADMP O=C(NC1CC[NH2+]CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418306127 251357526 /nfs/dbraw/zinc/35/75/26/251357526.db2.gz JMZVBNXFZYYMGM-CALCHBBNSA-N 2 1 328.460 1.512 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000418714047 251393363 /nfs/dbraw/zinc/39/33/63/251393363.db2.gz HSTVZCWZQDMVSS-HZPDHXFCSA-N 2 1 331.464 1.739 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc2)C1 ZINC000262625309 139291086 /nfs/dbraw/zinc/29/10/86/139291086.db2.gz BHIFWESWGFXJPT-DOTOQJQBSA-N 2 1 344.459 1.465 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C[NH2+]CC3CC3)CC2)C[C@H](C)O1 ZINC000262654105 139293410 /nfs/dbraw/zinc/29/34/10/139293410.db2.gz SQUZSYYTHLGXMX-IYBDPMFKSA-N 2 1 337.508 1.724 20 0 EDADMP [NH3+][C@H]1CC[C@@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000262651595 139293073 /nfs/dbraw/zinc/29/30/73/139293073.db2.gz RELKWSREVDZEIW-MOPGFXCFSA-N 2 1 344.503 1.438 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000262693030 139296693 /nfs/dbraw/zinc/29/66/93/139296693.db2.gz BEUNTUHWJPHBEP-VQIMIIECSA-N 2 1 332.492 1.831 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420345741 251688782 /nfs/dbraw/zinc/68/87/82/251688782.db2.gz WNQNNFNDOAGYFH-HOTGVXAUSA-N 2 1 344.459 1.436 20 0 EDADMP O=C(NCCC[NH2+][C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000422878511 252007782 /nfs/dbraw/zinc/00/77/82/252007782.db2.gz KBXUUAMIURLFJY-ZDUSSCGKSA-N 2 1 326.238 1.521 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422886491 252012109 /nfs/dbraw/zinc/01/21/09/252012109.db2.gz JERQUVWZTXTMOD-RLFYNMQTSA-N 3 1 332.492 1.599 20 0 EDADMP C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CCC[NH2+]1 ZINC000422892927 252013186 /nfs/dbraw/zinc/01/31/86/252013186.db2.gz ZTYOZMSJNVQEAG-SNRMKQJTSA-N 2 1 344.503 1.614 20 0 EDADMP CCCN1CCC([NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CC1 ZINC000422785999 251976962 /nfs/dbraw/zinc/97/69/62/251976962.db2.gz QAVIDFBZEHUVDW-OAHLLOKOSA-N 2 1 325.497 1.772 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@H]1CC[NH2+]C1 ZINC000422901702 252017409 /nfs/dbraw/zinc/01/74/09/252017409.db2.gz LQFBZVQXQWHAHK-JCGIZDLHSA-N 2 1 331.460 1.683 20 0 EDADMP Cn1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000423352273 252050565 /nfs/dbraw/zinc/05/05/65/252050565.db2.gz AFFQJVGDRNVJBB-GJZGRUSLSA-N 2 1 331.464 1.197 20 0 EDADMP Cn1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000423352273 252050566 /nfs/dbraw/zinc/05/05/66/252050566.db2.gz AFFQJVGDRNVJBB-GJZGRUSLSA-N 2 1 331.464 1.197 20 0 EDADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000424374090 252203266 /nfs/dbraw/zinc/20/32/66/252203266.db2.gz ITVZGDKPLOPQEU-CMPLNLGQSA-N 2 1 333.404 1.229 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@@H]1C ZINC000424463570 252238415 /nfs/dbraw/zinc/23/84/15/252238415.db2.gz HRWSXKKLXIHXBT-KBPBESRZSA-N 2 1 332.448 1.333 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@@H]1C ZINC000424463570 252238420 /nfs/dbraw/zinc/23/84/20/252238420.db2.gz HRWSXKKLXIHXBT-KBPBESRZSA-N 2 1 332.448 1.333 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000424435000 252230116 /nfs/dbraw/zinc/23/01/16/252230116.db2.gz KNPYVILIZOZLJG-UHFFFAOYSA-N 2 1 334.464 1.764 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352495119 296344670 /nfs/dbraw/zinc/34/46/70/296344670.db2.gz IPMNPSVKGBTPJQ-ZACQAIPSSA-N 2 1 325.497 1.901 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352495119 296344672 /nfs/dbraw/zinc/34/46/72/296344672.db2.gz IPMNPSVKGBTPJQ-ZACQAIPSSA-N 2 1 325.497 1.901 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000346959069 285058657 /nfs/dbraw/zinc/05/86/57/285058657.db2.gz CYLNVILHJQFWNK-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000346959069 285058659 /nfs/dbraw/zinc/05/86/59/285058659.db2.gz CYLNVILHJQFWNK-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000346959069 285058661 /nfs/dbraw/zinc/05/86/61/285058661.db2.gz CYLNVILHJQFWNK-CVEARBPZSA-N 2 1 340.512 1.517 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000333862110 296361920 /nfs/dbraw/zinc/36/19/20/296361920.db2.gz QDJCZFUOHABYNF-GJZGRUSLSA-N 2 1 334.464 1.315 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415784756 304269837 /nfs/dbraw/zinc/26/98/37/304269837.db2.gz JLJIQGFQSAFUFL-CQSZACIVSA-N 2 1 332.448 1.115 20 0 EDADMP CC1CC[NH+](CCN2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CC1 ZINC000493872512 255224069 /nfs/dbraw/zinc/22/40/69/255224069.db2.gz KUQLZDPSDLPPCC-UHFFFAOYSA-N 2 1 332.496 1.397 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCCC1 ZINC000494182859 255241588 /nfs/dbraw/zinc/24/15/88/255241588.db2.gz NKNVMXRNNBSDSA-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496348121 255384702 /nfs/dbraw/zinc/38/47/02/255384702.db2.gz QFUNVQNBZXBMPI-GJZGRUSLSA-N 2 1 329.485 1.536 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496348121 255384703 /nfs/dbraw/zinc/38/47/03/255384703.db2.gz QFUNVQNBZXBMPI-GJZGRUSLSA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496348121 255384704 /nfs/dbraw/zinc/38/47/04/255384704.db2.gz QFUNVQNBZXBMPI-GJZGRUSLSA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496348121 255384705 /nfs/dbraw/zinc/38/47/05/255384705.db2.gz QFUNVQNBZXBMPI-GJZGRUSLSA-N 2 1 329.485 1.536 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000358817309 285270470 /nfs/dbraw/zinc/27/04/70/285270470.db2.gz BTWITVGAAQNJLG-CABCVRRESA-N 2 1 340.512 1.022 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)C(=O)OC ZINC000354453630 285276965 /nfs/dbraw/zinc/27/69/65/285276965.db2.gz XVMDOGJHDRSECT-GJZGRUSLSA-N 2 1 327.469 1.060 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc(OC)c1 ZINC000337447373 285281232 /nfs/dbraw/zinc/28/12/32/285281232.db2.gz QVXICQZOFJVJKG-KRWDZBQOSA-N 2 1 348.491 1.887 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418408032 285314230 /nfs/dbraw/zinc/31/42/30/285314230.db2.gz MFWHXMHPJDEDRE-HZPDHXFCSA-N 2 1 339.528 1.219 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000338048504 285315109 /nfs/dbraw/zinc/31/51/09/285315109.db2.gz FIFMWBMJMLYOCY-PKOBYXMFSA-N 2 1 338.540 1.641 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417753078 285319919 /nfs/dbraw/zinc/31/99/19/285319919.db2.gz NXFZEMCVYNMXKI-SJORKVTESA-N 2 1 341.544 1.275 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](CC(C)C)OC ZINC000416145005 304292178 /nfs/dbraw/zinc/29/21/78/304292178.db2.gz KFZZIRMUWFXFLB-DLBZAZTESA-N 2 1 327.513 1.922 20 0 EDADMP C[N@H+]1CC[C@H]2OCCN(C(=O)CC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000416240477 304299738 /nfs/dbraw/zinc/29/97/38/304299738.db2.gz JRPZUJJBTCLESA-RTBURBONSA-N 2 1 343.471 1.366 20 0 EDADMP C[NH+]1CC[C@H]2OCCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000416240477 304299740 /nfs/dbraw/zinc/29/97/40/304299740.db2.gz JRPZUJJBTCLESA-RTBURBONSA-N 2 1 343.471 1.366 20 0 EDADMP C[NH+]1CC[C@H]2OCCN(C(=O)CC[N@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000416240477 304299742 /nfs/dbraw/zinc/29/97/42/304299742.db2.gz JRPZUJJBTCLESA-RTBURBONSA-N 2 1 343.471 1.366 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000269892275 140013795 /nfs/dbraw/zinc/01/37/95/140013795.db2.gz KSMYXTXPTAXKRX-LJQANCHMSA-N 2 1 335.492 1.961 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCC3([NH+](C)C)CC3)cc2)CC1 ZINC000416304711 304307815 /nfs/dbraw/zinc/30/78/15/304307815.db2.gz VGWXNOSZOIOQDC-UHFFFAOYSA-N 2 1 330.476 1.258 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000331360516 141011582 /nfs/dbraw/zinc/01/15/82/141011582.db2.gz XXCBWIKJJVEMBF-CVEARBPZSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[N@H+]1Cc1ccccc1 ZINC000333136163 141270051 /nfs/dbraw/zinc/27/00/51/141270051.db2.gz CIBCIHUWRRZHCL-RDJZCZTQSA-N 2 1 344.459 1.033 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000333321984 141299090 /nfs/dbraw/zinc/29/90/90/141299090.db2.gz NCNAUHBXFMROKJ-HOCLYGCPSA-N 2 1 331.464 1.846 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000333321985 141299231 /nfs/dbraw/zinc/29/92/31/141299231.db2.gz NCNAUHBXFMROKJ-ZBFHGGJFSA-N 2 1 331.464 1.846 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333373052 141307557 /nfs/dbraw/zinc/30/75/57/141307557.db2.gz FZCKIEPSSPHVHU-PBHICJAKSA-N 2 1 345.491 1.818 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000333491256 141325973 /nfs/dbraw/zinc/32/59/73/141325973.db2.gz DJVSMKODRJSHHM-HHARLNAUSA-N 2 1 338.496 1.397 20 0 EDADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCN3C(=O)N[C@@H](C)C3=O)C1)CCCC2 ZINC000333812884 141386486 /nfs/dbraw/zinc/38/64/86/141386486.db2.gz HECRGMDTCCFURB-JSGCOSHPSA-N 2 1 345.447 1.257 20 0 EDADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCN3C(=O)N[C@@H](C)C3=O)C1)CCCC2 ZINC000333812884 141386488 /nfs/dbraw/zinc/38/64/88/141386488.db2.gz HECRGMDTCCFURB-JSGCOSHPSA-N 2 1 345.447 1.257 20 0 EDADMP CNC(=O)CN1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340175786 142292179 /nfs/dbraw/zinc/29/21/79/142292179.db2.gz PMXPXPMGNULBFS-MOPGFXCFSA-N 2 1 344.503 1.622 20 0 EDADMP CNC(=O)CN1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340175786 142292181 /nfs/dbraw/zinc/29/21/81/142292181.db2.gz PMXPXPMGNULBFS-MOPGFXCFSA-N 2 1 344.503 1.622 20 0 EDADMP OC[C@H]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)O1 ZINC000340417627 142384381 /nfs/dbraw/zinc/38/43/81/142384381.db2.gz FRABKDGMALTZTQ-RTBURBONSA-N 2 1 336.451 1.962 20 0 EDADMP C[C@@H]1[C@H](NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CCC[N@H+]1C ZINC000345245950 143069167 /nfs/dbraw/zinc/06/91/67/143069167.db2.gz GAVFWQWLXATBHE-IUODEOHRSA-N 2 1 347.463 1.451 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](CC)C1 ZINC000345627262 143114009 /nfs/dbraw/zinc/11/40/09/143114009.db2.gz IOOBLKCGVDRQIH-HZPDHXFCSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000345627262 143114010 /nfs/dbraw/zinc/11/40/10/143114010.db2.gz IOOBLKCGVDRQIH-HZPDHXFCSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000345627262 143114011 /nfs/dbraw/zinc/11/40/11/143114011.db2.gz IOOBLKCGVDRQIH-HZPDHXFCSA-N 2 1 328.501 1.205 20 0 EDADMP CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000346670325 143229564 /nfs/dbraw/zinc/22/95/64/143229564.db2.gz OFQOEUDIUOQPNJ-QZTJIDSGSA-N 2 1 347.507 1.912 20 0 EDADMP Cc1nn(-c2ccncc2)cc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000346671582 143229633 /nfs/dbraw/zinc/22/96/33/143229633.db2.gz JYWJWYACTCGPQD-UHFFFAOYSA-N 2 1 329.448 1.906 20 0 EDADMP CCC1(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCOCC1 ZINC000346694175 143232796 /nfs/dbraw/zinc/23/27/96/143232796.db2.gz SINZENMGXAAFRC-IRXDYDNUSA-N 2 1 337.508 1.773 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)[N@@H+](C)C1 ZINC000346915977 143260427 /nfs/dbraw/zinc/26/04/27/143260427.db2.gz RXMIRLVJDOMSSK-BRWVUGGUSA-N 2 1 340.512 1.467 20 0 EDADMP CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000346947947 143265176 /nfs/dbraw/zinc/26/51/76/143265176.db2.gz FAHMTQJPZBEYMI-SJLPKXTDSA-N 2 1 337.508 1.676 20 0 EDADMP Cc1cccn2c(C[N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cnc12 ZINC000346995556 143269371 /nfs/dbraw/zinc/26/93/71/143269371.db2.gz BZYVIXSPLMAKTJ-MRXNPFEDSA-N 2 1 341.459 1.287 20 0 EDADMP CC(C)c1cnc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000347027953 143273425 /nfs/dbraw/zinc/27/34/25/143273425.db2.gz VHCNRKRCHDSIJA-AWEZNQCLSA-N 2 1 336.505 1.910 20 0 EDADMP CC(C)c1cnc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000347027953 143273426 /nfs/dbraw/zinc/27/34/26/143273426.db2.gz VHCNRKRCHDSIJA-AWEZNQCLSA-N 2 1 336.505 1.910 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000347049660 143276509 /nfs/dbraw/zinc/27/65/09/143276509.db2.gz NOLHZZSCUUEPAZ-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347099121 143282519 /nfs/dbraw/zinc/28/25/19/143282519.db2.gz KKQYKSTXCXAQFD-AEFFLSMTSA-N 2 1 337.508 1.583 20 0 EDADMP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000347244949 143299671 /nfs/dbraw/zinc/29/96/71/143299671.db2.gz VVXBWXFQIAWVRU-INIZCTEOSA-N 2 1 341.459 1.449 20 0 EDADMP CCC[N@H+](C)CC(=O)NC[C@@H]1OCC[NH+](CC)[C@H]1c1ccccc1 ZINC000347450626 143322941 /nfs/dbraw/zinc/32/29/41/143322941.db2.gz ONBBWFXYWBBWPR-HKUYNNGSSA-N 2 1 333.476 1.906 20 0 EDADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1OCC[NH+](CC)[C@H]1c1ccccc1 ZINC000347450626 143322942 /nfs/dbraw/zinc/32/29/42/143322942.db2.gz ONBBWFXYWBBWPR-HKUYNNGSSA-N 2 1 333.476 1.906 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000347450626 143322943 /nfs/dbraw/zinc/32/29/43/143322943.db2.gz ONBBWFXYWBBWPR-HKUYNNGSSA-N 2 1 333.476 1.906 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000347450626 143322944 /nfs/dbraw/zinc/32/29/44/143322944.db2.gz ONBBWFXYWBBWPR-HKUYNNGSSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369779408 155173565 /nfs/dbraw/zinc/17/35/65/155173565.db2.gz VYNMUCROKPFCFM-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000416843930 304351017 /nfs/dbraw/zinc/35/10/17/304351017.db2.gz PSEWQUVBBNAORL-WBVHZDCISA-N 2 1 348.491 1.987 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000417666962 286060650 /nfs/dbraw/zinc/06/06/50/286060650.db2.gz FGUXHURVKJXVSV-ULQDDVLXSA-N 2 1 340.512 1.422 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@H](C)C1 ZINC000261927813 286060906 /nfs/dbraw/zinc/06/09/06/286060906.db2.gz KIYVPTSXDXEIHH-IKGGRYGDSA-N 2 1 337.508 1.629 20 0 EDADMP Cc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)n(C)n1 ZINC000573429712 306620665 /nfs/dbraw/zinc/62/06/65/306620665.db2.gz XKIKYJFQBGAKJN-INIZCTEOSA-N 2 1 333.505 1.868 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[C@H]1O ZINC000352667757 149109458 /nfs/dbraw/zinc/10/94/58/149109458.db2.gz NDFITUSCRVTQGZ-RBUKOAKNSA-N 2 1 345.487 1.744 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416960160 304355684 /nfs/dbraw/zinc/35/56/84/304355684.db2.gz ZNDNZWBEBPHGHZ-XUWVNRHRSA-N 2 1 326.485 1.397 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000416973274 304358309 /nfs/dbraw/zinc/35/83/09/304358309.db2.gz JPMXRNDLNNFIOL-MRXNPFEDSA-N 2 1 339.528 1.090 20 0 EDADMP CCn1cc(C[N@@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2nccn2C)cn1 ZINC000354926250 150035287 /nfs/dbraw/zinc/03/52/87/150035287.db2.gz QLMGGKBIDJQOCT-CVEARBPZSA-N 2 1 334.443 1.681 20 0 EDADMP CCn1cc(CN(C)C[C@@H]2C[C@@H](F)CN2Cc2nccn2C)cn1 ZINC000354926250 150035289 /nfs/dbraw/zinc/03/52/89/150035289.db2.gz QLMGGKBIDJQOCT-CVEARBPZSA-N 2 1 334.443 1.681 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354928911 150036780 /nfs/dbraw/zinc/03/67/80/150036780.db2.gz GOVLZFBBBRTLQN-RTBURBONSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354928911 150036783 /nfs/dbraw/zinc/03/67/83/150036783.db2.gz GOVLZFBBBRTLQN-RTBURBONSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000354928911 150036785 /nfs/dbraw/zinc/03/67/85/150036785.db2.gz GOVLZFBBBRTLQN-RTBURBONSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000354928911 150036787 /nfs/dbraw/zinc/03/67/87/150036787.db2.gz GOVLZFBBBRTLQN-RTBURBONSA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C(C)(C)C)C1 ZINC000355346844 150226346 /nfs/dbraw/zinc/22/63/46/150226346.db2.gz UIRFGLCLUTWXCV-DLBZAZTESA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)C)C1 ZINC000355346844 150226348 /nfs/dbraw/zinc/22/63/48/150226348.db2.gz UIRFGLCLUTWXCV-DLBZAZTESA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C(C)(C)C)C1 ZINC000355346844 150226351 /nfs/dbraw/zinc/22/63/51/150226351.db2.gz UIRFGLCLUTWXCV-DLBZAZTESA-N 2 1 339.524 1.970 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC000355360978 150234002 /nfs/dbraw/zinc/23/40/02/150234002.db2.gz HJKKCTSQYYUDJI-MSOLQXFVSA-N 2 1 331.460 1.683 20 0 EDADMP C[N@H+](CC(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000355442491 150269737 /nfs/dbraw/zinc/26/97/37/150269737.db2.gz KWUHAIRBURDRSI-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP C[N@@H+](CC(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000355442491 150269740 /nfs/dbraw/zinc/26/97/40/150269740.db2.gz KWUHAIRBURDRSI-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000356224805 150558903 /nfs/dbraw/zinc/55/89/03/150558903.db2.gz OCGJGXQWRQNROG-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH3+])CCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417046409 304366273 /nfs/dbraw/zinc/36/62/73/304366273.db2.gz SWYXMNAUXDEUCE-INIZCTEOSA-N 2 1 345.491 1.378 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000417064204 304368304 /nfs/dbraw/zinc/36/83/04/304368304.db2.gz ABYKRWHITJELEE-ZJPYXAASSA-N 2 1 328.460 1.750 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1C ZINC000357409706 151023580 /nfs/dbraw/zinc/02/35/80/151023580.db2.gz IEHAVOCVIXHVRU-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1C ZINC000357409706 151023581 /nfs/dbraw/zinc/02/35/81/151023581.db2.gz IEHAVOCVIXHVRU-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000357409706 151023582 /nfs/dbraw/zinc/02/35/82/151023582.db2.gz IEHAVOCVIXHVRU-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000357409706 151023583 /nfs/dbraw/zinc/02/35/83/151023583.db2.gz IEHAVOCVIXHVRU-NJAFHUGGSA-N 2 1 331.460 1.486 20 0 EDADMP CSC1(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH+](C)CC1 ZINC000357734844 151131300 /nfs/dbraw/zinc/13/13/00/151131300.db2.gz WXGOOHFXZQPYHW-GJZGRUSLSA-N 2 1 340.537 1.740 20 0 EDADMP C[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358081320 151263338 /nfs/dbraw/zinc/26/33/38/151263338.db2.gz UUOIVBGBXAWEEQ-ULQDDVLXSA-N 2 1 336.524 1.392 20 0 EDADMP C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358081320 151263343 /nfs/dbraw/zinc/26/33/43/151263343.db2.gz UUOIVBGBXAWEEQ-ULQDDVLXSA-N 2 1 336.524 1.392 20 0 EDADMP C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358081320 151263347 /nfs/dbraw/zinc/26/33/47/151263347.db2.gz UUOIVBGBXAWEEQ-ULQDDVLXSA-N 2 1 336.524 1.392 20 0 EDADMP O=C(NCCC[NH2+]Cc1cccnc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000417080677 304370942 /nfs/dbraw/zinc/37/09/42/304370942.db2.gz XILFHLJADCYCNZ-MRXNPFEDSA-N 2 1 331.464 1.345 20 0 EDADMP Cc1nc(COc2ccc(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)cc2)no1 ZINC000358166899 151293677 /nfs/dbraw/zinc/29/36/77/151293677.db2.gz PLUAWMFQMOGMHK-QGZVFWFLSA-N 2 1 332.404 1.113 20 0 EDADMP Cc1nc(COc2ccc(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)cc2)no1 ZINC000358166899 151293680 /nfs/dbraw/zinc/29/36/80/151293680.db2.gz PLUAWMFQMOGMHK-QGZVFWFLSA-N 2 1 332.404 1.113 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000358171554 151294452 /nfs/dbraw/zinc/29/44/52/151294452.db2.gz UCCKERYRIRJPQI-SJORKVTESA-N 2 1 342.528 1.763 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000358171554 151294453 /nfs/dbraw/zinc/29/44/53/151294453.db2.gz UCCKERYRIRJPQI-SJORKVTESA-N 2 1 342.528 1.763 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000358171554 151294457 /nfs/dbraw/zinc/29/44/57/151294457.db2.gz UCCKERYRIRJPQI-SJORKVTESA-N 2 1 342.528 1.763 20 0 EDADMP COc1ccc(C[N@@H+](C)C[C@H]2C[C@H](F)CN2Cc2nccn2C)cn1 ZINC000360760677 152191034 /nfs/dbraw/zinc/19/10/34/152191034.db2.gz CXFPBGBEFWALOJ-JKSUJKDBSA-N 2 1 347.438 1.868 20 0 EDADMP COc1ccc(CN(C)C[C@H]2C[C@H](F)CN2Cc2nccn2C)cn1 ZINC000360760677 152191038 /nfs/dbraw/zinc/19/10/38/152191038.db2.gz CXFPBGBEFWALOJ-JKSUJKDBSA-N 2 1 347.438 1.868 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360979247 152269558 /nfs/dbraw/zinc/26/95/58/152269558.db2.gz RNGHDVZHYIKJKL-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360979247 152269560 /nfs/dbraw/zinc/26/95/60/152269560.db2.gz RNGHDVZHYIKJKL-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP COC(=O)[C@H]1CN(C(=O)Nc2cc(C)c3nccn3c2)CC[N@@H+](C)C1 ZINC000417159405 304379126 /nfs/dbraw/zinc/37/91/26/304379126.db2.gz GOYBQCVZODLPHH-CYBMUJFWSA-N 2 1 345.403 1.211 20 0 EDADMP COC(=O)[C@@H]1CN(C)CCN(C(=O)Nc2cc(C)c3nccn3c2)C1 ZINC000417159405 304379128 /nfs/dbraw/zinc/37/91/28/304379128.db2.gz GOYBQCVZODLPHH-CYBMUJFWSA-N 2 1 345.403 1.211 20 0 EDADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370190821 155369845 /nfs/dbraw/zinc/36/98/45/155369845.db2.gz JERKVHNIRRNLAQ-INIZCTEOSA-N 2 1 338.540 1.591 20 0 EDADMP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000363802811 153060810 /nfs/dbraw/zinc/06/08/10/153060810.db2.gz KFNPPNSNXNVXPL-BBWFWOEESA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000363802811 153060812 /nfs/dbraw/zinc/06/08/12/153060812.db2.gz KFNPPNSNXNVXPL-BBWFWOEESA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)CC[N@@H+]1C ZINC000364887412 153361141 /nfs/dbraw/zinc/36/11/41/153361141.db2.gz RXFJVTYQPBPJPX-HZPDHXFCSA-N 2 1 347.507 1.666 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)CC[N@H+]1C ZINC000364887412 153361142 /nfs/dbraw/zinc/36/11/42/153361142.db2.gz RXFJVTYQPBPJPX-HZPDHXFCSA-N 2 1 347.507 1.666 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)CC[NH+]1C ZINC000364887412 153361145 /nfs/dbraw/zinc/36/11/45/153361145.db2.gz RXFJVTYQPBPJPX-HZPDHXFCSA-N 2 1 347.507 1.666 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)CC[NH+]1C ZINC000364887412 153361146 /nfs/dbraw/zinc/36/11/46/153361146.db2.gz RXFJVTYQPBPJPX-HZPDHXFCSA-N 2 1 347.507 1.666 20 0 EDADMP COC[C@]1(CNC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000417248255 304387896 /nfs/dbraw/zinc/38/78/96/304387896.db2.gz BHJWADLKUSZJEU-KYHPRHEASA-N 2 1 340.512 1.421 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCN1CCNC1=O ZINC000367361986 154088965 /nfs/dbraw/zinc/08/89/65/154088965.db2.gz UELJDJCWMHQIMT-WMZOPIPTSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCN1CCNC1=O ZINC000367361986 154088968 /nfs/dbraw/zinc/08/89/68/154088968.db2.gz UELJDJCWMHQIMT-WMZOPIPTSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCN1CCNC1=O ZINC000367361986 154088971 /nfs/dbraw/zinc/08/89/71/154088971.db2.gz UELJDJCWMHQIMT-WMZOPIPTSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCN1CCNC1=O ZINC000367361986 154088973 /nfs/dbraw/zinc/08/89/73/154088973.db2.gz UELJDJCWMHQIMT-WMZOPIPTSA-N 2 1 330.476 1.854 20 0 EDADMP COC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000367533162 154163937 /nfs/dbraw/zinc/16/39/37/154163937.db2.gz ILIURRLOUBICJT-VNQPRFMTSA-N 2 1 339.867 1.813 20 0 EDADMP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)ccn2)CC1 ZINC000367588213 154189830 /nfs/dbraw/zinc/18/98/30/154189830.db2.gz LNADKZOVMYSZIT-IPMKNSEASA-N 3 1 343.519 1.796 20 0 EDADMP CN1CCN(c2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)ccn2)CC1 ZINC000367588213 154189834 /nfs/dbraw/zinc/18/98/34/154189834.db2.gz LNADKZOVMYSZIT-IPMKNSEASA-N 2 1 343.519 1.796 20 0 EDADMP CN1CCN(c2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)ccn2)CC1 ZINC000367588213 154189838 /nfs/dbraw/zinc/18/98/38/154189838.db2.gz LNADKZOVMYSZIT-IPMKNSEASA-N 2 1 343.519 1.796 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H]2COCC[NH2+]2)cc1F ZINC000367651559 154214963 /nfs/dbraw/zinc/21/49/63/154214963.db2.gz SXBSXNLQCGBLCH-WFASDCNBSA-N 2 1 346.406 1.876 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H](C)O1 ZINC000368058568 154390111 /nfs/dbraw/zinc/39/01/11/154390111.db2.gz ADAXWAVSSPASLT-IIDMSEBBSA-N 2 1 343.487 1.814 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cnn(C)c1 ZINC000369424856 155027341 /nfs/dbraw/zinc/02/73/41/155027341.db2.gz VOGMVDGHZKMEMG-HOCLYGCPSA-N 2 1 336.484 1.054 20 0 EDADMP CC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000369424856 155027343 /nfs/dbraw/zinc/02/73/43/155027343.db2.gz VOGMVDGHZKMEMG-HOCLYGCPSA-N 2 1 336.484 1.054 20 0 EDADMP CC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000369424856 155027346 /nfs/dbraw/zinc/02/73/46/155027346.db2.gz VOGMVDGHZKMEMG-HOCLYGCPSA-N 2 1 336.484 1.054 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000369581394 155096779 /nfs/dbraw/zinc/09/67/79/155096779.db2.gz BPYNYWMZXIWNCY-DOTOQJQBSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000369581394 155096782 /nfs/dbraw/zinc/09/67/82/155096782.db2.gz BPYNYWMZXIWNCY-DOTOQJQBSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000369581394 155096785 /nfs/dbraw/zinc/09/67/85/155096785.db2.gz BPYNYWMZXIWNCY-DOTOQJQBSA-N 2 1 338.496 1.101 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)CC3CC[NH+](C)CC3)CC2)cn1 ZINC000371817589 156120699 /nfs/dbraw/zinc/12/06/99/156120699.db2.gz WYUNYGLCHONACR-UHFFFAOYSA-N 2 1 347.507 1.669 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)CC3CC[NH+](C)CC3)CC2)cn1 ZINC000371817589 156120703 /nfs/dbraw/zinc/12/07/03/156120703.db2.gz WYUNYGLCHONACR-UHFFFAOYSA-N 2 1 347.507 1.669 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000371888718 156152410 /nfs/dbraw/zinc/15/24/10/156152410.db2.gz QYJWBVQZWIHWAS-VYDXJSESSA-N 2 1 346.475 1.767 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000371888718 156152412 /nfs/dbraw/zinc/15/24/12/156152412.db2.gz QYJWBVQZWIHWAS-VYDXJSESSA-N 2 1 346.475 1.767 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000372309111 156324290 /nfs/dbraw/zinc/32/42/90/156324290.db2.gz UWZPZXKIYJLHOK-KRWDZBQOSA-N 2 1 333.480 1.955 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000372452250 156396887 /nfs/dbraw/zinc/39/68/87/156396887.db2.gz XPTHZBJFJCAXQQ-SFHVURJKSA-N 2 1 346.475 1.477 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000377932589 158032823 /nfs/dbraw/zinc/03/28/23/158032823.db2.gz NFAVEYZGYJFART-YOEHRIQHSA-N 2 1 329.460 1.426 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377932589 158032825 /nfs/dbraw/zinc/03/28/25/158032825.db2.gz NFAVEYZGYJFART-YOEHRIQHSA-N 2 1 329.460 1.426 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377932589 158032827 /nfs/dbraw/zinc/03/28/27/158032827.db2.gz NFAVEYZGYJFART-YOEHRIQHSA-N 2 1 329.460 1.426 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 ZINC000378117972 158082595 /nfs/dbraw/zinc/08/25/95/158082595.db2.gz FEAZFQHOHVBGED-BBWFWOEESA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000378117972 158082597 /nfs/dbraw/zinc/08/25/97/158082597.db2.gz FEAZFQHOHVBGED-BBWFWOEESA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000378117972 158082600 /nfs/dbraw/zinc/08/26/00/158082600.db2.gz FEAZFQHOHVBGED-BBWFWOEESA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000378117972 158082602 /nfs/dbraw/zinc/08/26/02/158082602.db2.gz FEAZFQHOHVBGED-BBWFWOEESA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000378117972 158082605 /nfs/dbraw/zinc/08/26/05/158082605.db2.gz FEAZFQHOHVBGED-BBWFWOEESA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC(N2CCCS2(=O)=O)CC1 ZINC000378185146 158103470 /nfs/dbraw/zinc/10/34/70/158103470.db2.gz RKYFAQSTJOUWHU-AXRJEEMOSA-N 2 1 343.537 1.651 20 0 EDADMP C[C@H](C(=O)NC(N)=O)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378302297 158133663 /nfs/dbraw/zinc/13/36/63/158133663.db2.gz WJLZRZSUUYHIBC-OAHLLOKOSA-N 2 1 344.459 1.558 20 0 EDADMP O=C(C[N@@H+]1CC[C@H](C2CC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000378315421 158137961 /nfs/dbraw/zinc/13/79/61/158137961.db2.gz ISVKLUFHJRGKHO-SFHVURJKSA-N 2 1 349.519 1.870 20 0 EDADMP O=C(C[N@H+]1CC[C@H](C2CC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000378315421 158137964 /nfs/dbraw/zinc/13/79/64/158137964.db2.gz ISVKLUFHJRGKHO-SFHVURJKSA-N 2 1 349.519 1.870 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000352208721 162052295 /nfs/dbraw/zinc/05/22/95/162052295.db2.gz SFKDTKJNTABUIF-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000352212785 162053370 /nfs/dbraw/zinc/05/33/70/162053370.db2.gz BWRWNOSIENICQV-CVEARBPZSA-N 2 1 328.501 1.326 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000352312297 162110545 /nfs/dbraw/zinc/11/05/45/162110545.db2.gz FFTLGWJVOFHIOT-UHFFFAOYSA-N 2 1 327.494 1.380 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000352312297 162110549 /nfs/dbraw/zinc/11/05/49/162110549.db2.gz FFTLGWJVOFHIOT-UHFFFAOYSA-N 2 1 327.494 1.380 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)CC1 ZINC000352494670 162210705 /nfs/dbraw/zinc/21/07/05/162210705.db2.gz DRECOUFEPZFDNS-UHFFFAOYSA-N 3 1 338.540 1.816 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CN(CCC[NH3+])CC2CCCC2)CC1 ZINC000352494670 162210708 /nfs/dbraw/zinc/21/07/08/162210708.db2.gz DRECOUFEPZFDNS-UHFFFAOYSA-N 2 1 338.540 1.816 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000352496652 162212957 /nfs/dbraw/zinc/21/29/57/162212957.db2.gz XYYFFZFSSYOKPH-MJGOQNOKSA-N 2 1 344.503 1.832 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000352496652 162212961 /nfs/dbraw/zinc/21/29/61/162212961.db2.gz XYYFFZFSSYOKPH-MJGOQNOKSA-N 2 1 344.503 1.832 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1OC ZINC000352520116 162226984 /nfs/dbraw/zinc/22/69/84/162226984.db2.gz VJUVQMJZVZXWHC-MRXNPFEDSA-N 2 1 349.475 1.566 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1OC ZINC000352520116 162226986 /nfs/dbraw/zinc/22/69/86/162226986.db2.gz VJUVQMJZVZXWHC-MRXNPFEDSA-N 2 1 349.475 1.566 20 0 EDADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCS(=O)(=O)CC1 ZINC000354333747 287023050 /nfs/dbraw/zinc/02/30/50/287023050.db2.gz JQQIAYHIGBBBLV-ZBFHGGJFSA-N 2 1 332.510 1.026 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc(N2CCCC2)[nH+]1 ZINC000418203986 304463227 /nfs/dbraw/zinc/46/32/27/304463227.db2.gz WXYNLIZKGXMXJY-XJKSGUPXSA-N 2 1 331.464 1.930 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000074109228 287267539 /nfs/dbraw/zinc/26/75/39/287267539.db2.gz QXOSPHBOPJFUHY-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+](C)C1CCCC1)CN1CC[NH+](C)CC1 ZINC000074109228 287267541 /nfs/dbraw/zinc/26/75/41/287267541.db2.gz QXOSPHBOPJFUHY-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)CN1CC[NH+](C)CC1 ZINC000074109228 287267543 /nfs/dbraw/zinc/26/75/43/287267543.db2.gz QXOSPHBOPJFUHY-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@@H+](CCO)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076951793 287286253 /nfs/dbraw/zinc/28/62/53/287286253.db2.gz AOHHUNOPVZXMRW-UHFFFAOYSA-N 2 1 333.476 1.603 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000164843324 226100289 /nfs/dbraw/zinc/10/02/89/226100289.db2.gz LUHDWMOGIJZFIA-FCEWJHQRSA-N 2 1 345.487 1.769 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000164843324 226100292 /nfs/dbraw/zinc/10/02/92/226100292.db2.gz LUHDWMOGIJZFIA-FCEWJHQRSA-N 2 1 345.487 1.769 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000122211264 222037651 /nfs/dbraw/zinc/03/76/51/222037651.db2.gz UOZIFBVDNXJOFZ-QGZVFWFLSA-N 2 1 325.497 1.726 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@H](C)CO1 ZINC000665763641 452350011 /nfs/dbraw/zinc/35/00/11/452350011.db2.gz HSLFARIWSDKDHK-XHSDSOJGSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@H](C)CO1 ZINC000665763641 452350018 /nfs/dbraw/zinc/35/00/18/452350018.db2.gz HSLFARIWSDKDHK-XHSDSOJGSA-N 2 1 328.501 1.467 20 0 EDADMP C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000275932563 268384874 /nfs/dbraw/zinc/38/48/74/268384874.db2.gz KRDYYNJSFGURLA-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP C[NH+](Cc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000275932563 268384875 /nfs/dbraw/zinc/38/48/75/268384875.db2.gz KRDYYNJSFGURLA-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP C[NH+](Cc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000275932563 268384877 /nfs/dbraw/zinc/38/48/77/268384877.db2.gz KRDYYNJSFGURLA-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP C[NH+](C)CCc1ccc(CNC(=O)NCC2=CC[N@@H+](C)CC2)cc1 ZINC000276120656 268398577 /nfs/dbraw/zinc/39/85/77/268398577.db2.gz GJVDECVVDCTBPW-UHFFFAOYSA-N 2 1 330.476 1.852 20 0 EDADMP COc1cccc([C@@H](CNC(=O)NCC[N@@H+]2CC=CCC2)[NH+](C)C)c1 ZINC000279754204 273323704 /nfs/dbraw/zinc/32/37/04/273323704.db2.gz YJZHNNMMVLBAEL-GOSISDBHSA-N 2 1 346.475 1.859 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280785158 273398131 /nfs/dbraw/zinc/39/81/31/273398131.db2.gz IRGBLBSCZSOMLL-XLIONFOSSA-N 2 1 343.471 1.890 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CC[C@H](C)O3)CC2)CC1 ZINC000190535846 276188755 /nfs/dbraw/zinc/18/87/55/276188755.db2.gz SIBKDDKCEILCEY-FUHWJXTLSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000369523855 276345921 /nfs/dbraw/zinc/34/59/21/276345921.db2.gz YFOMNVSEIALVIA-UHFFFAOYSA-N 2 1 338.496 1.367 20 0 EDADMP CC[NH+](CCNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)C1CC1 ZINC000369523855 276345922 /nfs/dbraw/zinc/34/59/22/276345922.db2.gz YFOMNVSEIALVIA-UHFFFAOYSA-N 2 1 338.496 1.367 20 0 EDADMP CC[NH+](CCNC(=O)N1CCC[N@H+](C2CCOCC2)CC1)C1CC1 ZINC000369523855 276345924 /nfs/dbraw/zinc/34/59/24/276345924.db2.gz YFOMNVSEIALVIA-UHFFFAOYSA-N 2 1 338.496 1.367 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccncc2)cc[nH+]1 ZINC000354936398 276904225 /nfs/dbraw/zinc/90/42/25/276904225.db2.gz WTXFYEMUKISBOV-GJZGRUSLSA-N 2 1 330.411 1.644 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)cn2)CC1 ZINC000093506536 277114359 /nfs/dbraw/zinc/11/43/59/277114359.db2.gz JWGFLFGLRBWKRD-IAGOWNOFSA-N 2 1 331.464 1.229 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H]4OCCC[C@@H]4C3)cn2)CC1 ZINC000093506536 277114361 /nfs/dbraw/zinc/11/43/61/277114361.db2.gz JWGFLFGLRBWKRD-IAGOWNOFSA-N 2 1 331.464 1.229 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCCCCC2)C1 ZINC000361469765 277226330 /nfs/dbraw/zinc/22/63/30/277226330.db2.gz NKZFCLUVFBWAIO-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000411519560 277240235 /nfs/dbraw/zinc/24/02/35/277240235.db2.gz SMMMZFZGEACZRW-INIZCTEOSA-N 2 1 337.464 1.936 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000416008916 277391554 /nfs/dbraw/zinc/39/15/54/277391554.db2.gz ODZGURKDVOJPFO-STQMWFEESA-N 2 1 338.418 1.933 20 0 EDADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000373886619 278260952 /nfs/dbraw/zinc/26/09/52/278260952.db2.gz UKWMFIJVKGOUKO-WMZOPIPTSA-N 2 1 336.524 1.536 20 0 EDADMP CC[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000423170126 288037455 /nfs/dbraw/zinc/03/74/55/288037455.db2.gz LASIUYDVQGHAIN-IRXDYDNUSA-N 2 1 325.497 1.378 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000496345788 279033701 /nfs/dbraw/zinc/03/37/01/279033701.db2.gz OFAYLXHMRPLIGB-RRFJBIMHSA-N 2 1 329.485 1.725 20 0 EDADMP CC[NH+](CC)CCNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000170900733 279107218 /nfs/dbraw/zinc/10/72/18/279107218.db2.gz FRYRWNKBRSEFTN-SFHVURJKSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000352207978 279108061 /nfs/dbraw/zinc/10/80/61/279108061.db2.gz GYFWSGUZFWPRQY-INIZCTEOSA-N 2 1 328.501 1.326 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000378521808 279142562 /nfs/dbraw/zinc/14/25/62/279142562.db2.gz RCJZSWJNXCFMLE-HNNXBMFYSA-N 2 1 335.496 1.571 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000378521808 279142564 /nfs/dbraw/zinc/14/25/64/279142564.db2.gz RCJZSWJNXCFMLE-HNNXBMFYSA-N 2 1 335.496 1.571 20 0 EDADMP CC(C)C[C@H](CNC(=O)N(C)CC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000353496345 279149010 /nfs/dbraw/zinc/14/90/10/279149010.db2.gz APTIJJOGEIEAPR-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N2C[C@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC000348108192 279320558 /nfs/dbraw/zinc/32/05/58/279320558.db2.gz JUNLBTGBXCYLAA-YESZJQIVSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCSC1 ZINC000361916395 279328955 /nfs/dbraw/zinc/32/89/55/279328955.db2.gz QCCCVTUGOCZDJH-HOTGVXAUSA-N 2 1 342.553 1.940 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCOC1(C)C ZINC000458959101 279329057 /nfs/dbraw/zinc/32/90/57/279329057.db2.gz UETHYTCTTWXEPB-JKSUJKDBSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000349758487 288162374 /nfs/dbraw/zinc/16/23/74/288162374.db2.gz OCQCCRLOEHRJDW-INMHGKMJSA-N 2 1 338.496 1.364 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417615066 279842452 /nfs/dbraw/zinc/84/24/52/279842452.db2.gz WMNCPQSQLSHWRV-CVEARBPZSA-N 2 1 340.537 1.599 20 0 EDADMP C[C@](O)(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000374803055 280142403 /nfs/dbraw/zinc/14/24/03/280142403.db2.gz YHNUVBLAKHQSEX-SFHVURJKSA-N 2 1 334.460 1.053 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)CC[N@H+]1C[C@@H](C)O ZINC000181941720 280360906 /nfs/dbraw/zinc/36/09/06/280360906.db2.gz AIDKEZHGNMYCKD-ZJIFWQFVSA-N 2 1 338.496 1.098 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC[NH+]1C[C@@H](C)O ZINC000181941720 280360909 /nfs/dbraw/zinc/36/09/09/280360909.db2.gz AIDKEZHGNMYCKD-ZJIFWQFVSA-N 2 1 338.496 1.098 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC[NH+]1C[C@@H](C)O ZINC000181941720 280360910 /nfs/dbraw/zinc/36/09/10/280360910.db2.gz AIDKEZHGNMYCKD-ZJIFWQFVSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000246270046 288479201 /nfs/dbraw/zinc/47/92/01/288479201.db2.gz LUHDWMOGIJZFIA-GPMSIDNRSA-N 2 1 345.487 1.769 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000290240137 288864152 /nfs/dbraw/zinc/86/41/52/288864152.db2.gz SMXMMFYXZWVKAV-JKSUJKDBSA-N 2 1 327.432 1.826 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000291682668 289149274 /nfs/dbraw/zinc/14/92/74/289149274.db2.gz RLBJKGMUQDSGQB-LJQANCHMSA-N 2 1 330.476 1.985 20 0 EDADMP COc1ccc([C@H](O)C2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000291844527 289194609 /nfs/dbraw/zinc/19/46/09/289194609.db2.gz OSGGWUJFTMCHQX-ICSRJNTNSA-N 2 1 348.487 1.896 20 0 EDADMP COc1ccc([C@H](O)C2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000291844527 289194610 /nfs/dbraw/zinc/19/46/10/289194610.db2.gz OSGGWUJFTMCHQX-ICSRJNTNSA-N 2 1 348.487 1.896 20 0 EDADMP CN(C)[C@@H]1CCC[N@H+](CC2(CN3CCC[C@@H]([NH+](C)C)C3)COC2)C1 ZINC000247856645 289296388 /nfs/dbraw/zinc/29/63/88/289296388.db2.gz YHGTZZREYRWXEP-QZTJIDSGSA-N 2 1 338.540 1.055 20 0 EDADMP CN(C)[C@@H]1CCC[N@@H+](CC2(CN3CCC[C@@H]([NH+](C)C)C3)COC2)C1 ZINC000247856645 289296390 /nfs/dbraw/zinc/29/63/90/289296390.db2.gz YHGTZZREYRWXEP-QZTJIDSGSA-N 2 1 338.540 1.055 20 0 EDADMP C[C@H](C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000101638439 289356616 /nfs/dbraw/zinc/35/66/16/289356616.db2.gz SPGVMTDTVHPNNN-DLBZAZTESA-N 2 1 344.503 1.185 20 0 EDADMP C[C@H](C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000101638439 289356617 /nfs/dbraw/zinc/35/66/17/289356617.db2.gz SPGVMTDTVHPNNN-DLBZAZTESA-N 2 1 344.503 1.185 20 0 EDADMP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000292614690 289395621 /nfs/dbraw/zinc/39/56/21/289395621.db2.gz XOVWCXHKTXNSQY-KURKYZTESA-N 2 1 345.512 1.987 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000166154208 297017729 /nfs/dbraw/zinc/01/77/29/297017729.db2.gz RLHQXHFURKIIGO-DAYGRLMNSA-N 2 1 331.460 1.859 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000166154208 297017730 /nfs/dbraw/zinc/01/77/30/297017730.db2.gz RLHQXHFURKIIGO-DAYGRLMNSA-N 2 1 331.460 1.859 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[NH2+][C@H]3C)CC2)c1 ZINC000418541003 304510332 /nfs/dbraw/zinc/51/03/32/304510332.db2.gz ATWDQFCDELBGTL-WMZOPIPTSA-N 2 1 330.476 1.963 20 0 EDADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000418556362 304512889 /nfs/dbraw/zinc/51/28/89/304512889.db2.gz FJAJXIJKISNPGC-GOEBONIOSA-N 2 1 336.505 1.616 20 0 EDADMP C[C@@H]1C[C@@H](C[N@H+]2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000496459135 297251777 /nfs/dbraw/zinc/25/17/77/297251777.db2.gz PCGAAAZOJCIREY-PMPSAXMXSA-N 2 1 341.496 1.990 20 0 EDADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000186769185 300003047 /nfs/dbraw/zinc/00/30/47/300003047.db2.gz AKCSIUHIYBJZRB-CGTJXYLNSA-N 2 1 330.476 1.089 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3C[C@H](C)[NH2+]C[C@H]3C)CC2)c1 ZINC000420399328 304755605 /nfs/dbraw/zinc/75/56/05/304755605.db2.gz NWJIBGZZSGEAOL-ZWKOTPCHSA-N 2 1 344.503 1.321 20 0 EDADMP COc1ccc([C@@H](NC(=O)C[NH+]2CCC(O)(C[NH3+])CC2)C(C)C)cc1 ZINC000420401499 304755955 /nfs/dbraw/zinc/75/59/55/304755955.db2.gz GOIXMLQQCCUXID-SFHVURJKSA-N 2 1 349.475 1.294 20 0 EDADMP C[NH2+][C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)c1cccc(Cl)c1Cl ZINC000662554780 453284859 /nfs/dbraw/zinc/28/48/59/453284859.db2.gz RKYCULPOEMOSGK-ZANVPECISA-N 2 1 332.231 1.440 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000422040975 447321522 /nfs/dbraw/zinc/32/15/22/447321522.db2.gz SVEZXKXPTXVLSD-IBGZPJMESA-N 2 1 344.503 1.600 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000664720327 453348257 /nfs/dbraw/zinc/34/82/57/453348257.db2.gz LFZFRNYURGMICE-HNNXBMFYSA-N 3 1 327.517 1.042 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000664720327 453348265 /nfs/dbraw/zinc/34/82/65/453348265.db2.gz LFZFRNYURGMICE-HNNXBMFYSA-N 3 1 327.517 1.042 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC000293972741 303046382 /nfs/dbraw/zinc/04/63/82/303046382.db2.gz UVYLKQHGOPRVPY-ZWKOTPCHSA-N 2 1 331.460 1.683 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000294115028 303065017 /nfs/dbraw/zinc/06/50/17/303065017.db2.gz OPGOZKGGVPNUSD-FUHWJXTLSA-N 2 1 345.491 1.227 20 0 EDADMP CCN(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000295399224 303214248 /nfs/dbraw/zinc/21/42/48/303214248.db2.gz IIHVQBBIFNNRDU-QZTJIDSGSA-N 2 1 333.476 1.642 20 0 EDADMP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](CCCO)C1)c1ccccc1 ZINC000295399224 303214249 /nfs/dbraw/zinc/21/42/49/303214249.db2.gz IIHVQBBIFNNRDU-QZTJIDSGSA-N 2 1 333.476 1.642 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](CCCO)C1)c1ccccc1 ZINC000295399224 303214250 /nfs/dbraw/zinc/21/42/50/303214250.db2.gz IIHVQBBIFNNRDU-QZTJIDSGSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000295399224 303214251 /nfs/dbraw/zinc/21/42/51/303214251.db2.gz IIHVQBBIFNNRDU-QZTJIDSGSA-N 2 1 333.476 1.642 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000295632339 303244858 /nfs/dbraw/zinc/24/48/58/303244858.db2.gz HRSNGMKPXVSTMH-HOCLYGCPSA-N 2 1 349.475 1.782 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000295632339 303244860 /nfs/dbraw/zinc/24/48/60/303244860.db2.gz HRSNGMKPXVSTMH-HOCLYGCPSA-N 2 1 349.475 1.782 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000414888135 447344938 /nfs/dbraw/zinc/34/49/38/447344938.db2.gz XRIRZIOBZPYVRL-ZDUSSCGKSA-N 2 1 332.448 1.334 20 0 EDADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422707118 304878941 /nfs/dbraw/zinc/87/89/41/304878941.db2.gz VSIKNQNMBBXHEF-HIFRSBDPSA-N 2 1 325.478 1.730 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCO1 ZINC000423544288 304898323 /nfs/dbraw/zinc/89/83/23/304898323.db2.gz WMSVNAUUPOFMDA-WBVHZDCISA-N 2 1 346.475 1.679 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000423917104 304916091 /nfs/dbraw/zinc/91/60/91/304916091.db2.gz PTUKRGSXCLOXJX-HOTGVXAUSA-N 2 1 333.480 1.803 20 0 EDADMP [NH3+][C@H]1CC[C@H](C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000424035371 304925626 /nfs/dbraw/zinc/92/56/26/304925626.db2.gz FPAMCAGKKNNIBD-IRXDYDNUSA-N 2 1 330.476 1.224 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)cc2F)CC1 ZINC000429169073 305025033 /nfs/dbraw/zinc/02/50/33/305025033.db2.gz GQNNQYVNMDFDPA-PBHICJAKSA-N 2 1 348.466 1.777 20 0 EDADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)c1 ZINC000430632411 305060484 /nfs/dbraw/zinc/06/04/84/305060484.db2.gz XKCULBGHUCMGDM-JKSUJKDBSA-N 2 1 346.475 1.417 20 0 EDADMP COc1cc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)c(OC)cc1Cl ZINC000430638636 305060867 /nfs/dbraw/zinc/06/08/67/305060867.db2.gz CVIQZKXUGWBERW-UHFFFAOYSA-N 2 1 341.839 1.966 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000430691123 305062442 /nfs/dbraw/zinc/06/24/42/305062442.db2.gz IHYPIYIYLBSMHU-QINHECLXSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000430873422 305066573 /nfs/dbraw/zinc/06/65/73/305066573.db2.gz SLQAPJCMCGWKTO-BEFAXECRSA-N 2 1 344.459 1.322 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1 ZINC000431511676 305078534 /nfs/dbraw/zinc/07/85/34/305078534.db2.gz BUDYWIVZGLGXLT-HNNXBMFYSA-N 2 1 335.452 1.117 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1 ZINC000431511676 305078535 /nfs/dbraw/zinc/07/85/35/305078535.db2.gz BUDYWIVZGLGXLT-HNNXBMFYSA-N 2 1 335.452 1.117 20 0 EDADMP C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000433395209 305107772 /nfs/dbraw/zinc/10/77/72/305107772.db2.gz PZNHNWZGMFEWPE-HOTGVXAUSA-N 2 1 338.496 1.437 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1CCCO[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000433395209 305107773 /nfs/dbraw/zinc/10/77/73/305107773.db2.gz PZNHNWZGMFEWPE-HOTGVXAUSA-N 2 1 338.496 1.437 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1CCCO[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000433395209 305107774 /nfs/dbraw/zinc/10/77/74/305107774.db2.gz PZNHNWZGMFEWPE-HOTGVXAUSA-N 2 1 338.496 1.437 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433458683 305110017 /nfs/dbraw/zinc/11/00/17/305110017.db2.gz IGWKKRMEIGODDN-MRXNPFEDSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000434298029 305120028 /nfs/dbraw/zinc/12/00/28/305120028.db2.gz GWYCHFPHXVXYHL-LJIGWXMPSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000434298029 305120029 /nfs/dbraw/zinc/12/00/29/305120029.db2.gz GWYCHFPHXVXYHL-LJIGWXMPSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000434298029 305120030 /nfs/dbraw/zinc/12/00/30/305120030.db2.gz GWYCHFPHXVXYHL-LJIGWXMPSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000434298029 305120031 /nfs/dbraw/zinc/12/00/31/305120031.db2.gz GWYCHFPHXVXYHL-LJIGWXMPSA-N 2 1 338.496 1.220 20 0 EDADMP CCOc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000435388033 305139699 /nfs/dbraw/zinc/13/96/99/305139699.db2.gz DLUIHSVUJPIMDZ-GOEBONIOSA-N 2 1 349.475 1.721 20 0 EDADMP CCOc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000435388033 305139700 /nfs/dbraw/zinc/13/97/00/305139700.db2.gz DLUIHSVUJPIMDZ-GOEBONIOSA-N 2 1 349.475 1.721 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000436051383 305151370 /nfs/dbraw/zinc/15/13/70/305151370.db2.gz AVVZWWDSWDLWJU-QGZVFWFLSA-N 2 1 331.460 1.484 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436236236 305154644 /nfs/dbraw/zinc/15/46/44/305154644.db2.gz FCQCRDXLUAVLBW-CYBMUJFWSA-N 2 1 347.488 1.815 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000436481906 305158501 /nfs/dbraw/zinc/15/85/01/305158501.db2.gz FSGYVYYYLUCHRA-MOPGFXCFSA-N 2 1 346.519 1.678 20 0 EDADMP CC(C)[C@H](C(=O)NCC1([NH+](C)C)CCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000438511541 305186609 /nfs/dbraw/zinc/18/66/09/305186609.db2.gz DDKGLPHZUBSJJF-BZUAXINKSA-N 2 1 325.497 1.721 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000441117322 305217739 /nfs/dbraw/zinc/21/77/39/305217739.db2.gz QUIJFZRONQJRND-LSDHHAIUSA-N 2 1 346.475 1.628 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000441117322 305217740 /nfs/dbraw/zinc/21/77/40/305217740.db2.gz QUIJFZRONQJRND-LSDHHAIUSA-N 2 1 346.475 1.628 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443066170 305234400 /nfs/dbraw/zinc/23/44/00/305234400.db2.gz DMZNDKDYDUBGNE-LSDHHAIUSA-N 2 1 349.475 1.942 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000443077551 305234721 /nfs/dbraw/zinc/23/47/21/305234721.db2.gz UYPQACJWBHGRDX-GFCCVEGCSA-N 2 1 348.403 1.124 20 0 EDADMP CC[C@@](C)(O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000444608658 305251489 /nfs/dbraw/zinc/25/14/89/305251489.db2.gz LQYHFEBIVNBOFF-SOLBZPMBSA-N 2 1 328.497 1.738 20 0 EDADMP CC[C@@](C)(O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000444608658 305251490 /nfs/dbraw/zinc/25/14/90/305251490.db2.gz LQYHFEBIVNBOFF-SOLBZPMBSA-N 2 1 328.497 1.738 20 0 EDADMP CC[NH+]1C[C@H](C)N(CC(O)CN2C[C@H](C)[N@@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316136 305278108 /nfs/dbraw/zinc/27/81/08/305278108.db2.gz WECARWZHNXHBFB-XSLAGTTESA-N 2 1 340.556 1.176 20 0 EDADMP C[N@@H+]1CCN(C(=O)COC2CCC([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000449074462 305305552 /nfs/dbraw/zinc/30/55/52/305305552.db2.gz PEGLONPIYLFJJO-DAWZGUTISA-N 2 1 331.460 1.788 20 0 EDADMP C[N@H+]1CCN(C(=O)COC2CCC([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000449074462 305305553 /nfs/dbraw/zinc/30/55/53/305305553.db2.gz PEGLONPIYLFJJO-DAWZGUTISA-N 2 1 331.460 1.788 20 0 EDADMP COc1cc(C)ccc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000449326290 305311522 /nfs/dbraw/zinc/31/15/22/305311522.db2.gz UMEXONKXPXBDGN-UHFFFAOYSA-N 2 1 345.487 1.990 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CC1 ZINC000451721798 305364574 /nfs/dbraw/zinc/36/45/74/305364574.db2.gz ZBROJWCACWPRAF-SOLBZPMBSA-N 2 1 337.508 1.458 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000452099622 305382763 /nfs/dbraw/zinc/38/27/63/305382763.db2.gz CTHYGJZYQHZCLN-MRXNPFEDSA-N 2 1 339.505 1.851 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCC[NH+]1CCCO)[N@@H+]1CCc2ccccc2C1 ZINC000452349967 305391276 /nfs/dbraw/zinc/39/12/76/305391276.db2.gz NQQQACVHXJBHGQ-QFBILLFUSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCC[NH+]1CCCO)[N@H+]1CCc2ccccc2C1 ZINC000452349967 305391277 /nfs/dbraw/zinc/39/12/77/305391277.db2.gz NQQQACVHXJBHGQ-QFBILLFUSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1CCc2ccccc2C1 ZINC000452349967 305391278 /nfs/dbraw/zinc/39/12/78/305391278.db2.gz NQQQACVHXJBHGQ-QFBILLFUSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1CCc2ccccc2C1 ZINC000452349967 305391279 /nfs/dbraw/zinc/39/12/79/305391279.db2.gz NQQQACVHXJBHGQ-QFBILLFUSA-N 2 1 345.487 1.396 20 0 EDADMP C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)C(C)(C)C ZINC000458409972 447350522 /nfs/dbraw/zinc/35/05/22/447350522.db2.gz MSQZULGUQAXDCB-JKSUJKDBSA-N 2 1 342.528 1.499 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cn(C)nc1C ZINC000448854377 447353985 /nfs/dbraw/zinc/35/39/85/447353985.db2.gz UTYXLYZRYUEDAZ-KRWDZBQOSA-N 2 1 335.496 1.146 20 0 EDADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000419695043 447354176 /nfs/dbraw/zinc/35/41/76/447354176.db2.gz REYHUZYMQDQRRZ-UHFFFAOYSA-N 2 1 329.853 1.339 20 0 EDADMP C[C@@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000458421049 447357183 /nfs/dbraw/zinc/35/71/83/447357183.db2.gz QACRRMYMUFILLA-JKSUJKDBSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000458421049 447357190 /nfs/dbraw/zinc/35/71/90/447357190.db2.gz QACRRMYMUFILLA-JKSUJKDBSA-N 2 1 338.496 1.080 20 0 EDADMP O=C1[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCN1CC(F)(F)F ZINC000425903842 447354731 /nfs/dbraw/zinc/35/47/31/447354731.db2.gz WWAZVKACWDHZKD-LBPRGKRZSA-N 2 1 346.353 1.394 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000414932674 447362154 /nfs/dbraw/zinc/36/21/54/447362154.db2.gz DCQQFFNBAYFCDW-DOMZBBRYSA-N 2 1 330.432 1.086 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000528324814 305869618 /nfs/dbraw/zinc/86/96/18/305869618.db2.gz IUXVYMOEQOXXLB-UHFFFAOYSA-N 2 1 341.459 1.752 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000414944101 447366830 /nfs/dbraw/zinc/36/68/30/447366830.db2.gz NJLUIYDJYDHATP-CJNGLKHVSA-N 2 1 332.448 1.189 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CC[C@@H](c3nccn3C)C2)cc1 ZINC000536068843 306019371 /nfs/dbraw/zinc/01/93/71/306019371.db2.gz NAIDBLWWCGGWQA-OAHLLOKOSA-N 2 1 328.416 1.534 20 0 EDADMP COc1ccc(CNC(=O)CN2CC[C@@H](c3nccn3C)C2)cc1 ZINC000536068843 306019372 /nfs/dbraw/zinc/01/93/72/306019372.db2.gz NAIDBLWWCGGWQA-OAHLLOKOSA-N 2 1 328.416 1.534 20 0 EDADMP CCC[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@H+]1CCOC ZINC000540927776 306041863 /nfs/dbraw/zinc/04/18/63/306041863.db2.gz CTYPFNUNCQRKOJ-SFHVURJKSA-N 2 1 348.491 1.867 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000542466020 306054239 /nfs/dbraw/zinc/05/42/39/306054239.db2.gz BEVPJWLFYMAFEA-QGZVFWFLSA-N 2 1 340.431 1.565 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000542466020 306054240 /nfs/dbraw/zinc/05/42/40/306054240.db2.gz BEVPJWLFYMAFEA-QGZVFWFLSA-N 2 1 340.431 1.565 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC000542784338 306058349 /nfs/dbraw/zinc/05/83/49/306058349.db2.gz UFMIQWVVQKFBCA-OAHLLOKOSA-N 2 1 348.447 1.004 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC000542784338 306058350 /nfs/dbraw/zinc/05/83/50/306058350.db2.gz UFMIQWVVQKFBCA-OAHLLOKOSA-N 2 1 348.447 1.004 20 0 EDADMP CN(CCC(=O)NCCCC[N@H+]1CCC[C@@H]1CO)c1cc[nH+]cc1 ZINC000543714164 306067567 /nfs/dbraw/zinc/06/75/67/306067567.db2.gz KRUVINSSZKYJBI-QGZVFWFLSA-N 2 1 334.464 1.261 20 0 EDADMP CC[NH+]1CCC(n2nccc2NC(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000544488957 306075507 /nfs/dbraw/zinc/07/55/07/306075507.db2.gz VPOSBLYQTOFFAY-HNNXBMFYSA-N 2 1 348.495 1.114 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1coc(COC)n1 ZINC000547518437 306103198 /nfs/dbraw/zinc/10/31/98/306103198.db2.gz IVXULMYWHVPAJP-CQSZACIVSA-N 2 1 338.452 1.309 20 0 EDADMP C[C@@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)[NH+]1CCSCC1 ZINC000549730461 306148054 /nfs/dbraw/zinc/14/80/54/306148054.db2.gz IFOCHOWSBGYDOL-HNNXBMFYSA-N 2 1 325.522 1.758 20 0 EDADMP C[C@@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)[NH+]1CCSCC1 ZINC000549730461 306148055 /nfs/dbraw/zinc/14/80/55/306148055.db2.gz IFOCHOWSBGYDOL-HNNXBMFYSA-N 2 1 325.522 1.758 20 0 EDADMP C[NH+](C)C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000556849988 306219839 /nfs/dbraw/zinc/21/98/39/306219839.db2.gz NNVVDSBKAKXXJL-GOEBONIOSA-N 2 1 339.867 1.432 20 0 EDADMP C[NH+](C)C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000556849988 306219840 /nfs/dbraw/zinc/21/98/40/306219840.db2.gz NNVVDSBKAKXXJL-GOEBONIOSA-N 2 1 339.867 1.432 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000557133933 306224691 /nfs/dbraw/zinc/22/46/91/306224691.db2.gz HIFHMJJJGDARMS-OWCLPIDISA-N 2 1 326.485 1.160 20 0 EDADMP O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000557177768 306225656 /nfs/dbraw/zinc/22/56/56/306225656.db2.gz ULZKXEZLZFRPFP-GVDBMIGSSA-N 2 1 338.496 1.319 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[NH+]2CCC[C@H]2C1)CCC(F)(F)F ZINC000426006870 447377573 /nfs/dbraw/zinc/37/75/73/447377573.db2.gz HPPDVRKYVIPCHD-ZDUSSCGKSA-N 2 1 336.402 1.750 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)CCC(F)(F)F ZINC000426006870 447377575 /nfs/dbraw/zinc/37/75/75/447377575.db2.gz HPPDVRKYVIPCHD-ZDUSSCGKSA-N 2 1 336.402 1.750 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1)CCC(F)(F)F ZINC000426006870 447377580 /nfs/dbraw/zinc/37/75/80/447377580.db2.gz HPPDVRKYVIPCHD-ZDUSSCGKSA-N 2 1 336.402 1.750 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCC(O)CC2)cc1)C1CC1 ZINC000456583681 447418097 /nfs/dbraw/zinc/41/80/97/447418097.db2.gz FHAJSXOPSSHSMR-UHFFFAOYSA-N 2 1 345.487 1.857 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000458577468 447419675 /nfs/dbraw/zinc/41/96/75/447419675.db2.gz OXQFHCKWGCHJEZ-DLBZAZTESA-N 2 1 340.512 1.062 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000458577468 447419681 /nfs/dbraw/zinc/41/96/81/447419681.db2.gz OXQFHCKWGCHJEZ-DLBZAZTESA-N 2 1 340.512 1.062 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)C1 ZINC000458577468 447419691 /nfs/dbraw/zinc/41/96/91/447419691.db2.gz OXQFHCKWGCHJEZ-DLBZAZTESA-N 2 1 340.512 1.062 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)C1 ZINC000458577468 447419699 /nfs/dbraw/zinc/41/96/99/447419699.db2.gz OXQFHCKWGCHJEZ-DLBZAZTESA-N 2 1 340.512 1.062 20 0 EDADMP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000105113826 441234488 /nfs/dbraw/zinc/23/44/88/441234488.db2.gz PZEFICUKNPWJSL-UHFFFAOYSA-N 2 1 346.475 1.617 20 0 EDADMP C[C@H](CNC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)[NH+](C)C1CC1 ZINC000105262718 441245664 /nfs/dbraw/zinc/24/56/64/441245664.db2.gz BKMUPNMXXFRFGF-HUUCEWRRSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H](CNC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1)[N@H+](C)C1CC1 ZINC000105262718 441245668 /nfs/dbraw/zinc/24/56/68/441245668.db2.gz BKMUPNMXXFRFGF-HUUCEWRRSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H](CNC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1)[N@@H+](C)C1CC1 ZINC000105262718 441245670 /nfs/dbraw/zinc/24/56/70/441245670.db2.gz BKMUPNMXXFRFGF-HUUCEWRRSA-N 2 1 338.496 1.364 20 0 EDADMP Cc1nn(C)c2ncc(C[NH2+]CC3CCN(CC[NH+](C)C)CC3)cc12 ZINC000105450928 441256260 /nfs/dbraw/zinc/25/62/60/441256260.db2.gz QGDAKHPPHVPAQQ-UHFFFAOYSA-N 2 1 344.507 1.640 20 0 EDADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000081465913 441273464 /nfs/dbraw/zinc/27/34/64/441273464.db2.gz PUKODDNBLPHJEL-KRWDZBQOSA-N 2 1 337.508 1.964 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000081465913 441273468 /nfs/dbraw/zinc/27/34/68/441273468.db2.gz PUKODDNBLPHJEL-KRWDZBQOSA-N 2 1 337.508 1.964 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000073776427 441352196 /nfs/dbraw/zinc/35/21/96/441352196.db2.gz CWLOUKOJHLTUHF-MRXNPFEDSA-N 2 1 337.468 1.334 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000108590994 441467060 /nfs/dbraw/zinc/46/70/60/441467060.db2.gz DMFSHSLJTAJQND-QGZVFWFLSA-N 2 1 338.496 1.082 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)CN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000109945869 441512385 /nfs/dbraw/zinc/51/23/85/441512385.db2.gz HAZMJKSCIYEULS-IBGZPJMESA-N 2 1 346.519 1.303 20 0 EDADMP CC1CC[NH+](CC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089961714 441605058 /nfs/dbraw/zinc/60/50/58/441605058.db2.gz XPWAVGKAMKTGGR-RTBURBONSA-N 2 1 345.487 1.470 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000067685766 441667046 /nfs/dbraw/zinc/66/70/46/441667046.db2.gz QBMKNGFHRNUTDJ-IRXDYDNUSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000067685766 441667049 /nfs/dbraw/zinc/66/70/49/441667049.db2.gz QBMKNGFHRNUTDJ-IRXDYDNUSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000067685766 441667053 /nfs/dbraw/zinc/66/70/53/441667053.db2.gz QBMKNGFHRNUTDJ-IRXDYDNUSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000173489402 441768114 /nfs/dbraw/zinc/76/81/14/441768114.db2.gz UACRPYLCOCGYCF-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000173489402 441768117 /nfs/dbraw/zinc/76/81/17/441768117.db2.gz UACRPYLCOCGYCF-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000173489402 441768123 /nfs/dbraw/zinc/76/81/23/441768123.db2.gz UACRPYLCOCGYCF-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000077662688 441824911 /nfs/dbraw/zinc/82/49/11/441824911.db2.gz PWWSHKWOOLZKEY-OAHLLOKOSA-N 2 1 338.496 1.271 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000043285700 441830976 /nfs/dbraw/zinc/83/09/76/441830976.db2.gz RSTBXWRMTKLCPD-UHFFFAOYSA-N 2 1 345.491 1.375 20 0 EDADMP C[N@H+](CC(=O)Nc1ccc(Br)cn1)CC1CC[NH2+]CC1 ZINC000094024337 441901961 /nfs/dbraw/zinc/90/19/61/441901961.db2.gz OGSYRMTVIMZOGP-UHFFFAOYSA-N 2 1 341.253 1.714 20 0 EDADMP COC(=O)c1ccc(NC(=O)CN(C)CCCn2ccnc2)cc1 ZINC000124273180 441913445 /nfs/dbraw/zinc/91/34/45/441913445.db2.gz BDIKUBPDOGMAND-UHFFFAOYSA-N 2 1 330.388 1.630 20 0 EDADMP CCC(CC)[C@@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)[NH+]1CCOCC1 ZINC000162033520 442057898 /nfs/dbraw/zinc/05/78/98/442057898.db2.gz LBVOICOUWPBMRD-SJORKVTESA-N 2 1 327.513 1.955 20 0 EDADMP CC(C)[N@H+](C)CC1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000079566041 442062956 /nfs/dbraw/zinc/06/29/56/442062956.db2.gz RWIDTNGGUPEOFK-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000079566041 442062958 /nfs/dbraw/zinc/06/29/58/442062958.db2.gz RWIDTNGGUPEOFK-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000176212308 442192676 /nfs/dbraw/zinc/19/26/76/442192676.db2.gz CHHSYURGXAUKTM-UHFFFAOYSA-N 2 1 332.448 1.419 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000176212308 442192680 /nfs/dbraw/zinc/19/26/80/442192680.db2.gz CHHSYURGXAUKTM-UHFFFAOYSA-N 2 1 332.448 1.419 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000176212308 442192683 /nfs/dbraw/zinc/19/26/83/442192683.db2.gz CHHSYURGXAUKTM-UHFFFAOYSA-N 2 1 332.448 1.419 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000176212308 442192687 /nfs/dbraw/zinc/19/26/87/442192687.db2.gz CHHSYURGXAUKTM-UHFFFAOYSA-N 2 1 332.448 1.419 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000127428153 442201367 /nfs/dbraw/zinc/20/13/67/442201367.db2.gz SVAOZBUEILMTCL-RDJZCZTQSA-N 2 1 345.491 1.388 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000165807262 442211455 /nfs/dbraw/zinc/21/14/55/442211455.db2.gz YRKQBJIVGACMEM-KRWDZBQOSA-N 2 1 344.459 1.084 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000165969944 442212229 /nfs/dbraw/zinc/21/22/29/442212229.db2.gz RYXMQWANZIILMS-AYHJJNSGSA-N 2 1 336.524 1.297 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000152574694 442227966 /nfs/dbraw/zinc/22/79/66/442227966.db2.gz FYVWEZBDXCNVSJ-HKUYNNGSSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000153344991 442277039 /nfs/dbraw/zinc/27/70/39/442277039.db2.gz NWMQMKFIYNEHEO-IRXDYDNUSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000128651565 442280088 /nfs/dbraw/zinc/28/00/88/442280088.db2.gz RDANIYHFQJIWEP-SJORKVTESA-N 2 1 345.491 1.193 20 0 EDADMP CCOC(=O)c1c[n-]n(C2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)c1=N ZINC000128667058 442280814 /nfs/dbraw/zinc/28/08/14/442280814.db2.gz VWULVEJIOKDARU-CQSZACIVSA-N 2 1 349.479 1.594 20 0 EDADMP CCOC(=O)c1c[n-]n(C2CCN(CC[C@H]3CCC[N@H+]3C)CC2)c1=N ZINC000128667058 442280816 /nfs/dbraw/zinc/28/08/16/442280816.db2.gz VWULVEJIOKDARU-CQSZACIVSA-N 2 1 349.479 1.594 20 0 EDADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cc[nH]n2)cc1 ZINC000130183202 442340554 /nfs/dbraw/zinc/34/05/54/442340554.db2.gz PIJUJUKSJYHWFB-UHFFFAOYSA-N 2 1 327.432 1.525 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000154676278 442351119 /nfs/dbraw/zinc/35/11/19/442351119.db2.gz ISZDZKMSVUHLJF-UHFFFAOYSA-N 2 1 340.512 1.207 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000154979344 442368052 /nfs/dbraw/zinc/36/80/52/442368052.db2.gz DFJROESSHGDWRN-QGZVFWFLSA-N 2 1 338.496 1.369 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCCn2ccnc2)CC1 ZINC000171744016 442376219 /nfs/dbraw/zinc/37/62/19/442376219.db2.gz LWGDDVRIBPKYBM-KRWDZBQOSA-N 2 1 348.495 1.085 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000155339634 442388453 /nfs/dbraw/zinc/38/84/53/442388453.db2.gz FUWRFTFEGXAOLO-SQNIBIBYSA-N 2 1 339.524 1.576 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000155755725 442424843 /nfs/dbraw/zinc/42/48/43/442424843.db2.gz ZAPZORFFSDZEFQ-DOTOQJQBSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CCCCN2CCOCC2)C1 ZINC000178645009 442451491 /nfs/dbraw/zinc/45/14/91/442451491.db2.gz FGSJXSGAZHZFJX-SFHVURJKSA-N 2 1 339.524 1.973 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000178645009 442451493 /nfs/dbraw/zinc/45/14/93/442451493.db2.gz FGSJXSGAZHZFJX-SFHVURJKSA-N 2 1 339.524 1.973 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000178645009 442451495 /nfs/dbraw/zinc/45/14/95/442451495.db2.gz FGSJXSGAZHZFJX-SFHVURJKSA-N 2 1 339.524 1.973 20 0 EDADMP CNC(=O)NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000172574742 442494826 /nfs/dbraw/zinc/49/48/26/442494826.db2.gz ISKAJLSDTIZRSX-NVXWUHKLSA-N 2 1 346.475 1.817 20 0 EDADMP CNC(=O)NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000172574742 442494827 /nfs/dbraw/zinc/49/48/27/442494827.db2.gz ISKAJLSDTIZRSX-NVXWUHKLSA-N 2 1 346.475 1.817 20 0 EDADMP CNC(=O)NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000172574742 442494829 /nfs/dbraw/zinc/49/48/29/442494829.db2.gz ISKAJLSDTIZRSX-NVXWUHKLSA-N 2 1 346.475 1.817 20 0 EDADMP CNC(=O)NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000172574742 442494831 /nfs/dbraw/zinc/49/48/31/442494831.db2.gz ISKAJLSDTIZRSX-NVXWUHKLSA-N 2 1 346.475 1.817 20 0 EDADMP C[C@H]1C[C@H]([NH+](C)CCCC(=O)NC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000172575055 442494848 /nfs/dbraw/zinc/49/48/48/442494848.db2.gz LYNBUTCTLFXHNB-DOTOQJQBSA-N 2 1 346.475 1.946 20 0 EDADMP C[C@H]1C[C@H]([NH+](C)CCCC(=O)NC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000172575055 442494849 /nfs/dbraw/zinc/49/48/49/442494849.db2.gz LYNBUTCTLFXHNB-DOTOQJQBSA-N 2 1 346.475 1.946 20 0 EDADMP C[C@H]1C[C@H]([N@H+](C)CCCC(=O)NC(N)=O)CC[NH+]1Cc1ccccc1 ZINC000172575055 442494851 /nfs/dbraw/zinc/49/48/51/442494851.db2.gz LYNBUTCTLFXHNB-DOTOQJQBSA-N 2 1 346.475 1.946 20 0 EDADMP C[C@H]1C[C@H]([N@@H+](C)CCCC(=O)NC(N)=O)CC[NH+]1Cc1ccccc1 ZINC000172575055 442494852 /nfs/dbraw/zinc/49/48/52/442494852.db2.gz LYNBUTCTLFXHNB-DOTOQJQBSA-N 2 1 346.475 1.946 20 0 EDADMP CC[C@@H](COC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156960425 442536732 /nfs/dbraw/zinc/53/67/32/442536732.db2.gz RKHVRLSECXAKPF-ROUUACIJSA-N 2 1 333.476 1.899 20 0 EDADMP CC(C)[N@H+](C)CCNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000172810762 442547025 /nfs/dbraw/zinc/54/70/25/442547025.db2.gz WGVCYIPHXONXIJ-GOSISDBHSA-N 2 1 333.476 1.734 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000172810762 442547032 /nfs/dbraw/zinc/54/70/32/442547032.db2.gz WGVCYIPHXONXIJ-GOSISDBHSA-N 2 1 333.476 1.734 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000172810762 442547034 /nfs/dbraw/zinc/54/70/34/442547034.db2.gz WGVCYIPHXONXIJ-GOSISDBHSA-N 2 1 333.476 1.734 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000172810762 442547040 /nfs/dbraw/zinc/54/70/40/442547040.db2.gz WGVCYIPHXONXIJ-GOSISDBHSA-N 2 1 333.476 1.734 20 0 EDADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000172717775 442525555 /nfs/dbraw/zinc/52/55/55/442525555.db2.gz AADDQNZNZXFQKB-MRXNPFEDSA-N 2 1 339.867 1.561 20 0 EDADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000172717775 442525562 /nfs/dbraw/zinc/52/55/62/442525562.db2.gz AADDQNZNZXFQKB-MRXNPFEDSA-N 2 1 339.867 1.561 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CC[NH+](C)C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000186763143 442607024 /nfs/dbraw/zinc/60/70/24/442607024.db2.gz GCJYEYZKKKDAGN-UXLLHSPISA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CC[NH+](C)C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000186763143 442607026 /nfs/dbraw/zinc/60/70/26/442607026.db2.gz GCJYEYZKKKDAGN-UXLLHSPISA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000186763143 442607028 /nfs/dbraw/zinc/60/70/28/442607028.db2.gz GCJYEYZKKKDAGN-UXLLHSPISA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000186763143 442607031 /nfs/dbraw/zinc/60/70/31/442607031.db2.gz GCJYEYZKKKDAGN-UXLLHSPISA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000192228809 442617706 /nfs/dbraw/zinc/61/77/06/442617706.db2.gz TUNJQZIMQLYLQL-SFHVURJKSA-N 2 1 333.476 1.734 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192228809 442617712 /nfs/dbraw/zinc/61/77/12/442617712.db2.gz TUNJQZIMQLYLQL-SFHVURJKSA-N 2 1 333.476 1.734 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192228809 442617716 /nfs/dbraw/zinc/61/77/16/442617716.db2.gz TUNJQZIMQLYLQL-SFHVURJKSA-N 2 1 333.476 1.734 20 0 EDADMP Cc1[nH+]ccn1CCC[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000136394767 442662110 /nfs/dbraw/zinc/66/21/10/442662110.db2.gz UOOGCQDDIFJWJR-UHFFFAOYSA-N 2 1 344.463 1.457 20 0 EDADMP Cn1c2ccc(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)cc2sc1=O ZINC000192576357 442665182 /nfs/dbraw/zinc/66/51/82/442665182.db2.gz JVYMKOCUSPIEJC-OAHLLOKOSA-N 2 1 349.500 1.927 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000180983443 442673161 /nfs/dbraw/zinc/67/31/61/442673161.db2.gz IJPBKPCBXVPMQL-AEFFLSMTSA-N 2 1 325.497 1.772 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCOCC1 ZINC000181845440 442719384 /nfs/dbraw/zinc/71/93/84/442719384.db2.gz ZKTYVKQBSVKXGB-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1CN(C(=O)CN(C)Cc2ccccc2)CC[N@H+]1CC(C)(C)O ZINC000188716013 442795897 /nfs/dbraw/zinc/79/58/97/442795897.db2.gz ZWUDCYWWKIGXAV-INIZCTEOSA-N 2 1 333.476 1.422 20 0 EDADMP CC(C)N1CCC[C@H]([NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000182623773 442797020 /nfs/dbraw/zinc/79/70/20/442797020.db2.gz FOJHFUJSMLHELF-SWDXFRIISA-N 2 1 348.535 1.629 20 0 EDADMP CC(C)N1CCC[C@H]([NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000182623773 442797025 /nfs/dbraw/zinc/79/70/25/442797025.db2.gz FOJHFUJSMLHELF-SWDXFRIISA-N 2 1 348.535 1.629 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CSC ZINC000246310989 442771327 /nfs/dbraw/zinc/77/13/27/442771327.db2.gz NQGHEOZQSDOABZ-CABCVRRESA-N 2 1 330.542 1.795 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000265577305 442830617 /nfs/dbraw/zinc/83/06/17/442830617.db2.gz XRCXXPXNCFIASI-KRWDZBQOSA-N 2 1 330.476 1.116 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000265577305 442830620 /nfs/dbraw/zinc/83/06/20/442830620.db2.gz XRCXXPXNCFIASI-KRWDZBQOSA-N 2 1 330.476 1.116 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000265577305 442830622 /nfs/dbraw/zinc/83/06/22/442830622.db2.gz XRCXXPXNCFIASI-KRWDZBQOSA-N 2 1 330.476 1.116 20 0 EDADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188796691 442816908 /nfs/dbraw/zinc/81/69/08/442816908.db2.gz CJYBDDFIXGKSMN-ZWKOTPCHSA-N 2 1 348.466 1.011 20 0 EDADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000247413739 442852561 /nfs/dbraw/zinc/85/25/61/442852561.db2.gz JQOBYFDXKRQEJL-CVEARBPZSA-N 2 1 341.496 1.822 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000265639419 442856869 /nfs/dbraw/zinc/85/68/69/442856869.db2.gz UQCIWDCMVSIDKK-LSDHHAIUSA-N 2 1 340.493 1.371 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000268148205 442870609 /nfs/dbraw/zinc/87/06/09/442870609.db2.gz UDWOFVGFYQJGGZ-YJBOKZPZSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000268148205 442870615 /nfs/dbraw/zinc/87/06/15/442870615.db2.gz UDWOFVGFYQJGGZ-YJBOKZPZSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000268148205 442870618 /nfs/dbraw/zinc/87/06/18/442870618.db2.gz UDWOFVGFYQJGGZ-YJBOKZPZSA-N 2 1 330.476 1.900 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000247464003 442855053 /nfs/dbraw/zinc/85/50/53/442855053.db2.gz RCVQJZYFXANYGN-HZPDHXFCSA-N 2 1 328.501 1.374 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247464003 442855056 /nfs/dbraw/zinc/85/50/56/442855056.db2.gz RCVQJZYFXANYGN-HZPDHXFCSA-N 2 1 328.501 1.374 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000247464003 442855058 /nfs/dbraw/zinc/85/50/58/442855058.db2.gz RCVQJZYFXANYGN-HZPDHXFCSA-N 2 1 328.501 1.374 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)C[C@H]12 ZINC000248590397 442903741 /nfs/dbraw/zinc/90/37/41/442903741.db2.gz GYXVGLDTMMMJCZ-BZZMCLGOSA-N 2 1 331.435 1.986 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)C[C@H]12 ZINC000248590397 442903744 /nfs/dbraw/zinc/90/37/44/442903744.db2.gz GYXVGLDTMMMJCZ-BZZMCLGOSA-N 2 1 331.435 1.986 20 0 EDADMP C[C@@H]1CCC[N@H+](CCNC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194843380 442960297 /nfs/dbraw/zinc/96/02/97/442960297.db2.gz GPPPPOHBBXXWLJ-ZACQAIPSSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194843380 442960300 /nfs/dbraw/zinc/96/03/00/442960300.db2.gz GPPPPOHBBXXWLJ-ZACQAIPSSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194843380 442960303 /nfs/dbraw/zinc/96/03/03/442960303.db2.gz GPPPPOHBBXXWLJ-ZACQAIPSSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194843380 442960305 /nfs/dbraw/zinc/96/03/05/442960305.db2.gz GPPPPOHBBXXWLJ-ZACQAIPSSA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1nncs1 ZINC000195118838 442984296 /nfs/dbraw/zinc/98/42/96/442984296.db2.gz NOWGNLHGXVHGJT-LBPRGKRZSA-N 2 1 326.470 1.418 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@H]1O ZINC000249585761 442991525 /nfs/dbraw/zinc/99/15/25/442991525.db2.gz SXSBGXFAIDQHQB-VQIMIIECSA-N 2 1 345.487 1.601 20 0 EDADMP COC(=O)C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000184605957 443048452 /nfs/dbraw/zinc/04/84/52/443048452.db2.gz QDNIIQJTBONPAA-IAGOWNOFSA-N 2 1 347.459 1.433 20 0 EDADMP C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184582021 443043474 /nfs/dbraw/zinc/04/34/74/443043474.db2.gz OSLWDLRXZZOHPR-SZMVWBNQSA-N 2 1 333.476 1.641 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000185086037 443133695 /nfs/dbraw/zinc/13/36/95/443133695.db2.gz GNPVTTYKDVMCSJ-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000268936146 443152466 /nfs/dbraw/zinc/15/24/66/443152466.db2.gz YQXQGWDWPZFIIZ-ATZDWAIDSA-N 2 1 328.460 1.954 20 0 EDADMP NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266769610 443234905 /nfs/dbraw/zinc/23/49/05/443234905.db2.gz RYKUSOIIYJLCCE-GOSISDBHSA-N 2 1 331.460 1.790 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709340 443242493 /nfs/dbraw/zinc/24/24/93/443242493.db2.gz UJHQTRMEYFYKAL-WBVHZDCISA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709340 443242497 /nfs/dbraw/zinc/24/24/97/443242497.db2.gz UJHQTRMEYFYKAL-WBVHZDCISA-N 2 1 347.507 1.621 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@H+]2C)Cc2ccccc2C1 ZINC000266817963 443254775 /nfs/dbraw/zinc/25/47/75/443254775.db2.gz XFJKXTXJLSMAJY-KRWDZBQOSA-N 2 1 330.476 1.479 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC(C)(C)CN1CCOCC1 ZINC000413550637 319276414 /nfs/dbraw/zinc/27/64/14/319276414.db2.gz KSQAVKVUNYFUHH-HNNXBMFYSA-N 2 1 328.501 1.517 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414188397 319318352 /nfs/dbraw/zinc/31/83/52/319318352.db2.gz QQKBATOEXHMFCG-LSDHHAIUSA-N 2 1 339.505 1.977 20 0 EDADMP COC(=O)[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000415010984 319345575 /nfs/dbraw/zinc/34/55/75/319345575.db2.gz VKZFRROSIGHZHB-JSGCOSHPSA-N 2 1 342.386 1.961 20 0 EDADMP COc1cc(C)c(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(C)n1 ZINC000415129840 319347195 /nfs/dbraw/zinc/34/71/95/319347195.db2.gz PWODHMUUWPMMMZ-HNNXBMFYSA-N 2 1 330.436 1.594 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C[C@@H](C)O ZINC000416153353 319392470 /nfs/dbraw/zinc/39/24/70/319392470.db2.gz CFWNPBMSFCDBSF-BHIYHBOVSA-N 2 1 347.503 1.983 20 0 EDADMP CCS(=O)(=O)C[C@H](C)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000191493636 443301964 /nfs/dbraw/zinc/30/19/64/443301964.db2.gz VLMFYVAIZGFLRA-INIZCTEOSA-N 2 1 333.542 1.158 20 0 EDADMP CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000191493636 443301968 /nfs/dbraw/zinc/30/19/68/443301968.db2.gz VLMFYVAIZGFLRA-INIZCTEOSA-N 2 1 333.542 1.158 20 0 EDADMP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000186054575 443304104 /nfs/dbraw/zinc/30/41/04/443304104.db2.gz OHFIISGLCUAYCF-ROUUACIJSA-N 2 1 331.460 1.344 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000186054575 443304108 /nfs/dbraw/zinc/30/41/08/443304108.db2.gz OHFIISGLCUAYCF-ROUUACIJSA-N 2 1 331.460 1.344 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000186054575 443304111 /nfs/dbraw/zinc/30/41/11/443304111.db2.gz OHFIISGLCUAYCF-ROUUACIJSA-N 2 1 331.460 1.344 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000186054575 443304116 /nfs/dbraw/zinc/30/41/16/443304116.db2.gz OHFIISGLCUAYCF-ROUUACIJSA-N 2 1 331.460 1.344 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000267009410 443312734 /nfs/dbraw/zinc/31/27/34/443312734.db2.gz CXHZFCUAMRTSKA-UHFFFAOYSA-N 2 1 348.491 1.577 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000269482981 443321350 /nfs/dbraw/zinc/32/13/50/443321350.db2.gz KWTQBZQBFLZMHL-MRXNPFEDSA-N 2 1 349.475 1.156 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Br)cn1 ZINC000266946382 443299025 /nfs/dbraw/zinc/29/90/25/443299025.db2.gz SMRXAGUWNYYPHQ-UHFFFAOYSA-N 2 1 341.297 1.913 20 0 EDADMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OCC(=O)N(C)C ZINC000267210706 443379213 /nfs/dbraw/zinc/37/92/13/443379213.db2.gz HIZDCCRPEBEWJT-UHFFFAOYSA-N 2 1 335.448 1.346 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000278624824 443382201 /nfs/dbraw/zinc/38/22/01/443382201.db2.gz GDLRYAVUVJFBPX-OAHLLOKOSA-N 2 1 329.444 1.993 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]C(C)(C)COCc2ccccc2)CC1 ZINC000282599632 443385878 /nfs/dbraw/zinc/38/58/78/443385878.db2.gz XVQAFJPEYXIFNX-UHFFFAOYSA-N 2 1 333.476 1.736 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[NH+](C)C[C@@H]43)cc2C1 ZINC000272292010 443582338 /nfs/dbraw/zinc/58/23/38/443582338.db2.gz FLFUCQYNNFVQLO-GUYCJALGSA-N 2 1 342.443 1.123 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[NH+](C)C[C@@H]43)cc2C1 ZINC000272292010 443582341 /nfs/dbraw/zinc/58/23/41/443582341.db2.gz FLFUCQYNNFVQLO-GUYCJALGSA-N 2 1 342.443 1.123 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cc2C1 ZINC000272292010 443582343 /nfs/dbraw/zinc/58/23/43/443582343.db2.gz FLFUCQYNNFVQLO-GUYCJALGSA-N 2 1 342.443 1.123 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cc2C1 ZINC000272292010 443582346 /nfs/dbraw/zinc/58/23/46/443582346.db2.gz FLFUCQYNNFVQLO-GUYCJALGSA-N 2 1 342.443 1.123 20 0 EDADMP COc1ccc(OCC[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000283413336 443626137 /nfs/dbraw/zinc/62/61/37/443626137.db2.gz FKYXLISYNHVDGB-UHFFFAOYSA-N 2 1 335.448 1.170 20 0 EDADMP COc1ccc(OCC[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000283413336 443626139 /nfs/dbraw/zinc/62/61/39/443626139.db2.gz FKYXLISYNHVDGB-UHFFFAOYSA-N 2 1 335.448 1.170 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000272329904 443593775 /nfs/dbraw/zinc/59/37/75/443593775.db2.gz VMOVUNHGALTSRL-YJBOKZPZSA-N 2 1 330.476 1.243 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC000279475178 443594659 /nfs/dbraw/zinc/59/46/59/443594659.db2.gz QFBKEMNHBAUACA-UHFFFAOYSA-N 2 1 330.432 1.754 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)C[C@H](C)O1 ZINC000444272056 320124325 /nfs/dbraw/zinc/12/43/25/320124325.db2.gz WBLVUGMTXBLDQY-WBQJQJEBSA-N 2 1 349.519 1.724 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CC[NH2+]C3(C)C)cc2)CC1 ZINC000449754748 320205240 /nfs/dbraw/zinc/20/52/40/320205240.db2.gz RNLKQBFFCYWABL-KRWDZBQOSA-N 2 1 330.476 1.304 20 0 EDADMP CC[C@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CC[N@H+]1C[C@@H](C)O ZINC000457614817 320331115 /nfs/dbraw/zinc/33/11/15/320331115.db2.gz MJLMBQQOVYYLRN-WBVHZDCISA-N 2 1 337.508 1.555 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000458667618 320338255 /nfs/dbraw/zinc/33/82/55/320338255.db2.gz PHFDNYXKMNAYMW-SFHVURJKSA-N 2 1 340.512 1.472 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458698205 320338809 /nfs/dbraw/zinc/33/88/09/320338809.db2.gz AGUHSFAPHXNPMC-RDJZCZTQSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458698205 320338810 /nfs/dbraw/zinc/33/88/10/320338810.db2.gz AGUHSFAPHXNPMC-RDJZCZTQSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458698205 320338811 /nfs/dbraw/zinc/33/88/11/320338811.db2.gz AGUHSFAPHXNPMC-RDJZCZTQSA-N 2 1 338.496 1.149 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000527758061 320523770 /nfs/dbraw/zinc/52/37/70/320523770.db2.gz SUUJZMZWVSYBAN-RBUKOAKNSA-N 2 1 336.451 1.962 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285055709 443839706 /nfs/dbraw/zinc/83/97/06/443839706.db2.gz BRBCXXQAAQMDKS-AEFFLSMTSA-N 2 1 347.459 1.172 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000293013041 443902222 /nfs/dbraw/zinc/90/22/22/443902222.db2.gz HQCUYAJHZYONBD-BEFAXECRSA-N 2 1 338.467 1.754 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000285703016 444079018 /nfs/dbraw/zinc/07/90/18/444079018.db2.gz CEWYFUUIPFCKHI-NXHRZFHOSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000561213097 321036509 /nfs/dbraw/zinc/03/65/09/321036509.db2.gz UWZARPWNARUTBS-BZUAXINKSA-N 2 1 338.496 1.127 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)[NH+](C)C ZINC000564820721 321149762 /nfs/dbraw/zinc/14/97/62/321149762.db2.gz JVVHBKWTMQXSHP-MRXNPFEDSA-N 2 1 346.475 1.835 20 0 EDADMP CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000566107217 321215790 /nfs/dbraw/zinc/21/57/90/321215790.db2.gz GXXXPXFGRWULLV-IBGZPJMESA-N 2 1 336.476 1.784 20 0 EDADMP C[C@@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CCC[NH2+]1 ZINC000567738420 321256634 /nfs/dbraw/zinc/25/66/34/321256634.db2.gz LQZJCOZHOPTKNZ-QAPCUYQASA-N 2 1 330.432 1.217 20 0 EDADMP C[C@@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CCC[NH2+]1 ZINC000567738420 321256636 /nfs/dbraw/zinc/25/66/36/321256636.db2.gz LQZJCOZHOPTKNZ-QAPCUYQASA-N 2 1 330.432 1.217 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000567746436 321257574 /nfs/dbraw/zinc/25/75/74/321257574.db2.gz CTDXSRRJRJJHMT-GJZGRUSLSA-N 2 1 338.521 1.541 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000567874356 321264047 /nfs/dbraw/zinc/26/40/47/321264047.db2.gz MEBUPBOMAKRVRM-ROUUACIJSA-N 2 1 336.476 1.480 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOCC4(CC4)C3)CC2)CC1 ZINC000568206177 321281431 /nfs/dbraw/zinc/28/14/31/321281431.db2.gz FLOFIAWHDXYXTO-UHFFFAOYSA-N 2 1 349.519 1.822 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc2)CC1 ZINC000568991220 321313641 /nfs/dbraw/zinc/31/36/41/321313641.db2.gz NMTIDQSUVXEDBB-INIZCTEOSA-N 2 1 345.409 1.837 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000570028721 321334664 /nfs/dbraw/zinc/33/46/64/321334664.db2.gz LAWLQNOXWVKJPF-QLFBSQMISA-N 2 1 326.485 1.316 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000570028721 321334665 /nfs/dbraw/zinc/33/46/65/321334665.db2.gz LAWLQNOXWVKJPF-QLFBSQMISA-N 2 1 326.485 1.316 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000570029543 321334793 /nfs/dbraw/zinc/33/47/93/321334793.db2.gz DRRTZMXTPCYCEB-JQHSSLGASA-N 2 1 330.476 1.948 20 0 EDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000570106073 321337934 /nfs/dbraw/zinc/33/79/34/321337934.db2.gz HOPYJWDDOFHXMA-CVEARBPZSA-N 2 1 346.475 1.765 20 0 EDADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C[N@H+]1CCO ZINC000571031743 321368627 /nfs/dbraw/zinc/36/86/27/321368627.db2.gz WSJJCGNOIKIIEX-OZSLIKBDSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C[NH+]1CCO ZINC000571031743 321368628 /nfs/dbraw/zinc/36/86/28/321368628.db2.gz WSJJCGNOIKIIEX-OZSLIKBDSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C[NH+]1CCO ZINC000571031743 321368630 /nfs/dbraw/zinc/36/86/30/321368630.db2.gz WSJJCGNOIKIIEX-OZSLIKBDSA-N 2 1 338.496 1.098 20 0 EDADMP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000571389192 321385671 /nfs/dbraw/zinc/38/56/71/321385671.db2.gz FGYZMZOSUOARHH-KXJMLMMSSA-N 2 1 348.495 1.457 20 0 EDADMP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000571389192 321385673 /nfs/dbraw/zinc/38/56/73/321385673.db2.gz FGYZMZOSUOARHH-KXJMLMMSSA-N 2 1 348.495 1.457 20 0 EDADMP CN(C)c1nc(N2CCN(C(=O)C[C@H]3CCCC[C@H]3[NH3+])CC2)cc[nH+]1 ZINC000571557154 321392297 /nfs/dbraw/zinc/39/22/97/321392297.db2.gz FHPCFWLTAKOHPL-HUUCEWRRSA-N 2 1 346.479 1.099 20 0 EDADMP c1ncn(CCN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000285854729 444130181 /nfs/dbraw/zinc/13/01/81/444130181.db2.gz IGVCJVNUWIPFIM-LJQANCHMSA-N 2 1 340.475 1.170 20 0 EDADMP c1ncn(CC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000285854729 444130188 /nfs/dbraw/zinc/13/01/88/444130188.db2.gz IGVCJVNUWIPFIM-LJQANCHMSA-N 2 1 340.475 1.170 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289778903 444202131 /nfs/dbraw/zinc/20/21/31/444202131.db2.gz IYHTVTSEMPHCQZ-IRXDYDNUSA-N 2 1 347.459 1.247 20 0 EDADMP O[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCc2ccccc2C1 ZINC000305331374 444269263 /nfs/dbraw/zinc/26/92/63/444269263.db2.gz NAMSRXGTCYBMOP-SLFFLAALSA-N 2 1 329.488 1.622 20 0 EDADMP O[C@H](CN[C@H]1CC[NH+]2CCC[C@H]2C1)C[N@@H+]1CCc2ccccc2C1 ZINC000305331374 444269264 /nfs/dbraw/zinc/26/92/64/444269264.db2.gz NAMSRXGTCYBMOP-SLFFLAALSA-N 2 1 329.488 1.622 20 0 EDADMP O[C@H](CN[C@H]1CC[NH+]2CCC[C@H]2C1)C[N@H+]1CCc2ccccc2C1 ZINC000305331374 444269267 /nfs/dbraw/zinc/26/92/67/444269267.db2.gz NAMSRXGTCYBMOP-SLFFLAALSA-N 2 1 329.488 1.622 20 0 EDADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)CN1CCc2ccccc2C1 ZINC000305331374 444269270 /nfs/dbraw/zinc/26/92/70/444269270.db2.gz NAMSRXGTCYBMOP-SLFFLAALSA-N 2 1 329.488 1.622 20 0 EDADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CN1CCc2ccccc2C1 ZINC000305331374 444269272 /nfs/dbraw/zinc/26/92/72/444269272.db2.gz NAMSRXGTCYBMOP-SLFFLAALSA-N 2 1 329.488 1.622 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000303450501 444236996 /nfs/dbraw/zinc/23/69/96/444236996.db2.gz CPSAPRJXXNJOGS-GOSISDBHSA-N 2 1 325.497 1.140 20 0 EDADMP COCCOCc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000290113663 444243834 /nfs/dbraw/zinc/24/38/34/444243834.db2.gz LHVQOPZTELCIHY-UHFFFAOYSA-N 2 1 349.519 1.965 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](C[C@H](O)c3ccc(F)cc3)C2)CC1 ZINC000305825899 444282180 /nfs/dbraw/zinc/28/21/80/444282180.db2.gz MNODOYOALQPRNU-MOPGFXCFSA-N 2 1 335.467 1.961 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C[C@H](O)c3ccc(F)cc3)C2)CC1 ZINC000305825899 444282182 /nfs/dbraw/zinc/28/21/82/444282182.db2.gz MNODOYOALQPRNU-MOPGFXCFSA-N 2 1 335.467 1.961 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](CCOc2cccc(Br)c2)CCCO1 ZINC000313335074 444295961 /nfs/dbraw/zinc/29/59/61/444295961.db2.gz GWCXHZIALRRTNF-CQSZACIVSA-N 2 1 329.238 1.878 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2cccc(Br)c2)CCCO1 ZINC000313335074 444295962 /nfs/dbraw/zinc/29/59/62/444295962.db2.gz GWCXHZIALRRTNF-CQSZACIVSA-N 2 1 329.238 1.878 20 0 EDADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000578120072 321724264 /nfs/dbraw/zinc/72/42/64/321724264.db2.gz LKDAAZAPIJJOFE-MAUKXSAKSA-N 2 1 346.475 1.681 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000579060621 321874842 /nfs/dbraw/zinc/87/48/42/321874842.db2.gz RIBZFIWGADLXJM-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP COc1cc(C)cnc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000580271471 322028530 /nfs/dbraw/zinc/02/85/30/322028530.db2.gz QXORGNUXICRVGM-UHFFFAOYSA-N 2 1 341.415 1.798 20 0 EDADMP O[C@@H](C[NH+]1CCCC[C@@H]1C1(O)CC1)C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000580818991 322098630 /nfs/dbraw/zinc/09/86/30/322098630.db2.gz IBGNSEVXUFVFTD-BJWYYQGGSA-N 2 1 338.492 1.106 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000581015361 322125233 /nfs/dbraw/zinc/12/52/33/322125233.db2.gz JTICOWFRTOUYCC-CQSZACIVSA-N 2 1 331.254 1.730 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000581015361 322125235 /nfs/dbraw/zinc/12/52/35/322125235.db2.gz JTICOWFRTOUYCC-CQSZACIVSA-N 2 1 331.254 1.730 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000581061046 322130080 /nfs/dbraw/zinc/13/00/80/322130080.db2.gz BOFDARWKFCGUKL-ZACQAIPSSA-N 2 1 334.439 1.746 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NCCOc3ccc(F)cc3)C[C@H]21 ZINC000342146574 444533447 /nfs/dbraw/zinc/53/34/47/444533447.db2.gz TYOLNDDUKQXEOH-IAOVAPTHSA-N 2 1 335.423 1.380 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NCCOc3ccc(F)cc3)C[C@H]21 ZINC000342146574 444533448 /nfs/dbraw/zinc/53/34/48/444533448.db2.gz TYOLNDDUKQXEOH-IAOVAPTHSA-N 2 1 335.423 1.380 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000340874998 444554156 /nfs/dbraw/zinc/55/41/56/444554156.db2.gz DZQUTYBCOYMETO-KLHDSHLOSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000340874998 444554161 /nfs/dbraw/zinc/55/41/61/444554161.db2.gz DZQUTYBCOYMETO-KLHDSHLOSA-N 2 1 340.512 1.656 20 0 EDADMP COc1ccc2c(c1OC)CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000338283043 444609569 /nfs/dbraw/zinc/60/95/69/444609569.db2.gz GRPDKSNFVWMKMO-UHFFFAOYSA-N 2 1 347.459 1.226 20 0 EDADMP COc1ccc2c(c1OC)CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000338283043 444609572 /nfs/dbraw/zinc/60/95/72/444609572.db2.gz GRPDKSNFVWMKMO-UHFFFAOYSA-N 2 1 347.459 1.226 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000333281875 444653907 /nfs/dbraw/zinc/65/39/07/444653907.db2.gz MPZPOFAXXJESQN-KYHPRHEASA-N 2 1 347.507 1.650 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338359177 444654659 /nfs/dbraw/zinc/65/46/59/444654659.db2.gz XXVGJJWCZBJMGI-HNNXBMFYSA-N 2 1 342.509 1.439 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338359177 444654665 /nfs/dbraw/zinc/65/46/65/444654665.db2.gz XXVGJJWCZBJMGI-HNNXBMFYSA-N 2 1 342.509 1.439 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000329639968 444660319 /nfs/dbraw/zinc/66/03/19/444660319.db2.gz WVAPHUIFGCZXFS-RHSMWYFYSA-N 2 1 337.489 1.656 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOCC)[C@@H](CC)C1 ZINC000342370131 444661260 /nfs/dbraw/zinc/66/12/60/444661260.db2.gz DXQOPWFLOVWBIY-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOCC)[C@@H](CC)C1 ZINC000342370131 444661264 /nfs/dbraw/zinc/66/12/64/444661264.db2.gz DXQOPWFLOVWBIY-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CCOCC)[C@@H](CC)C1 ZINC000342370131 444661266 /nfs/dbraw/zinc/66/12/66/444661266.db2.gz DXQOPWFLOVWBIY-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000342370131 444661268 /nfs/dbraw/zinc/66/12/68/444661268.db2.gz DXQOPWFLOVWBIY-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000333095575 444637692 /nfs/dbraw/zinc/63/76/92/444637692.db2.gz ADZGZNKOBMEVSO-LBPRGKRZSA-N 2 1 336.411 1.002 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000333095575 444637697 /nfs/dbraw/zinc/63/76/97/444637697.db2.gz ADZGZNKOBMEVSO-LBPRGKRZSA-N 2 1 336.411 1.002 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333908657 444715563 /nfs/dbraw/zinc/71/55/63/444715563.db2.gz KPWFHJAMYJRFKR-INIZCTEOSA-N 2 1 338.496 1.415 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000341189602 444719381 /nfs/dbraw/zinc/71/93/81/444719381.db2.gz DLYSGQWUPIZJPK-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC[N@H+]1CCOC ZINC000344005330 444722736 /nfs/dbraw/zinc/72/27/36/444722736.db2.gz FDJCZSXXBPMWGB-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH+]1CCOC ZINC000344005330 444722740 /nfs/dbraw/zinc/72/27/40/444722740.db2.gz FDJCZSXXBPMWGB-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC[NH+]1CCOC ZINC000344005330 444722744 /nfs/dbraw/zinc/72/27/44/444722744.db2.gz FDJCZSXXBPMWGB-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000341238807 444744308 /nfs/dbraw/zinc/74/43/08/444744308.db2.gz JOVODUCOXCWTIP-LZQZEXGQSA-N 2 1 344.503 1.941 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCC[NH+](CC)CC)CC[N@H+]1CCOC ZINC000344091837 444776775 /nfs/dbraw/zinc/77/67/75/444776775.db2.gz FBDAHPQXWBRAIN-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP CN(C)c1nccc(N2C[C@H](F)C[C@@H]2C[NH2+]C2CC[NH+](C)CC2)n1 ZINC000341393052 444809266 /nfs/dbraw/zinc/80/92/66/444809266.db2.gz YULCFMBVQWIVRY-UKRRQHHQSA-N 2 1 336.459 1.143 20 0 EDADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)N1CCC(C)CC1 ZINC000344166529 444816839 /nfs/dbraw/zinc/81/68/39/444816839.db2.gz NPGUIJYUXDTHLS-UHFFFAOYSA-N 2 1 338.540 1.594 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)N1CCC(C)CC1 ZINC000344166529 444816843 /nfs/dbraw/zinc/81/68/43/444816843.db2.gz NPGUIJYUXDTHLS-UHFFFAOYSA-N 2 1 338.540 1.594 20 0 EDADMP Cc1cc(NC(=O)[C@@H]2CC[NH2+]CC2(F)F)n(C2CC[NH+](C)CC2)n1 ZINC000342716712 444831904 /nfs/dbraw/zinc/83/19/04/444831904.db2.gz DOHDNGHRDJFMRQ-ZDUSSCGKSA-N 2 1 341.406 1.642 20 0 EDADMP C[C@@H]1CN(c2cncc(N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)n2)C[C@H](C)[NH+]1C ZINC000338787515 444851816 /nfs/dbraw/zinc/85/18/16/444851816.db2.gz SMLCLEXACMLATD-GEEKYZPCSA-N 2 1 332.496 1.534 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000337312646 445028925 /nfs/dbraw/zinc/02/89/25/445028925.db2.gz VRTVLCKFKOYGBK-MLHJIOFPSA-N 2 1 337.508 1.555 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000337312646 445028926 /nfs/dbraw/zinc/02/89/26/445028926.db2.gz VRTVLCKFKOYGBK-MLHJIOFPSA-N 2 1 337.508 1.555 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000337321026 445032500 /nfs/dbraw/zinc/03/25/00/445032500.db2.gz IZLFSAPVVWZPNX-RTBURBONSA-N 2 1 342.487 1.971 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337321026 445032505 /nfs/dbraw/zinc/03/25/05/445032505.db2.gz IZLFSAPVVWZPNX-RTBURBONSA-N 2 1 342.487 1.971 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337321026 445032509 /nfs/dbraw/zinc/03/25/09/445032509.db2.gz IZLFSAPVVWZPNX-RTBURBONSA-N 2 1 342.487 1.971 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000341906903 445064865 /nfs/dbraw/zinc/06/48/65/445064865.db2.gz YKYFRDQPYMFLPU-MDZRGWNJSA-N 2 1 345.487 1.977 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000341906903 445064867 /nfs/dbraw/zinc/06/48/67/445064867.db2.gz YKYFRDQPYMFLPU-MDZRGWNJSA-N 2 1 345.487 1.977 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000337450055 445086738 /nfs/dbraw/zinc/08/67/38/445086738.db2.gz DWNYXNQCMWHMCT-KRWDZBQOSA-N 2 1 345.553 1.302 20 0 EDADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000343254292 445163009 /nfs/dbraw/zinc/16/30/09/445163009.db2.gz AZSODNQGOYMQIQ-QXCFHYIPSA-N 2 1 334.460 1.481 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NC(=O)NCc3cccs3)C[C@H]21 ZINC000342091001 445166683 /nfs/dbraw/zinc/16/66/83/445166683.db2.gz CIHSNRMSJIANDN-MRVWCRGKSA-N 2 1 336.461 1.133 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NC(=O)NCc3cccs3)C[C@H]21 ZINC000342091001 445166687 /nfs/dbraw/zinc/16/66/87/445166687.db2.gz CIHSNRMSJIANDN-MRVWCRGKSA-N 2 1 336.461 1.133 20 0 EDADMP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Cc1ccc(F)cc1 ZINC000343268019 445169864 /nfs/dbraw/zinc/16/98/64/445169864.db2.gz KNZPXTOCHGQGES-AITUJVMLSA-N 2 1 336.451 1.723 20 0 EDADMP C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C2)CC1 ZINC000339460822 445144751 /nfs/dbraw/zinc/14/47/51/445144751.db2.gz JRPAMTJODBEOLZ-PKOBYXMFSA-N 2 1 349.519 1.820 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c(C)nn(C)c1C ZINC000337573306 445145363 /nfs/dbraw/zinc/14/53/63/445145363.db2.gz FOWXVUVPWCTTDD-MRXNPFEDSA-N 2 1 335.496 1.525 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[NH+](C)[C@@H](C)CC)CC[N@H+]1CCOC ZINC000347073575 445230982 /nfs/dbraw/zinc/23/09/82/445230982.db2.gz RRAALPKNOZHSCT-IRXDYDNUSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[N@H+](C)[C@@H](C)CC)CC[NH+]1CCOC ZINC000347073575 445230983 /nfs/dbraw/zinc/23/09/83/445230983.db2.gz RRAALPKNOZHSCT-IRXDYDNUSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[C@H]1CN(C(=O)NCC[N@@H+](C)[C@@H](C)CC)CC[NH+]1CCOC ZINC000347073575 445230984 /nfs/dbraw/zinc/23/09/84/445230984.db2.gz RRAALPKNOZHSCT-IRXDYDNUSA-N 2 1 342.528 1.859 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)Nc2cccc(C[NH+](C)C)c2)[N@@H+](C)C1 ZINC000343579506 445249475 /nfs/dbraw/zinc/24/94/75/445249475.db2.gz JWQKFBBGOTVTBB-IAGOWNOFSA-N 2 1 334.464 1.931 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)Nc2cccc(C[NH+](C)C)c2)[N@@H+](C)C1 ZINC000343579507 445249827 /nfs/dbraw/zinc/24/98/27/445249827.db2.gz JWQKFBBGOTVTBB-SJORKVTESA-N 2 1 334.464 1.931 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)CCC[N@H+]1C ZINC000343599084 445257742 /nfs/dbraw/zinc/25/77/42/445257742.db2.gz JIHGEVSZEOZWMW-QAPCUYQASA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC[N@@H+]2CCc3ccccc3C2)CCC[NH+]1C ZINC000343599084 445257746 /nfs/dbraw/zinc/25/77/46/445257746.db2.gz JIHGEVSZEOZWMW-QAPCUYQASA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC[N@H+]2CCc3ccccc3C2)CCC[NH+]1C ZINC000343599084 445257749 /nfs/dbraw/zinc/25/77/49/445257749.db2.gz JIHGEVSZEOZWMW-QAPCUYQASA-N 2 1 330.476 1.827 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000354500818 445265920 /nfs/dbraw/zinc/26/59/20/445265920.db2.gz CZWSKBMKMCJOMC-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000354500818 445265923 /nfs/dbraw/zinc/26/59/23/445265923.db2.gz CZWSKBMKMCJOMC-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000354500818 445265924 /nfs/dbraw/zinc/26/59/24/445265924.db2.gz CZWSKBMKMCJOMC-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000354500818 445265926 /nfs/dbraw/zinc/26/59/26/445265926.db2.gz CZWSKBMKMCJOMC-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000354607213 445311941 /nfs/dbraw/zinc/31/19/41/445311941.db2.gz STKKYLOUHISYEL-CABCVRRESA-N 2 1 342.447 1.579 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000354607213 445311943 /nfs/dbraw/zinc/31/19/43/445311943.db2.gz STKKYLOUHISYEL-CABCVRRESA-N 2 1 342.447 1.579 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@H+]1CCCC[C@H]1C ZINC000348206441 445315494 /nfs/dbraw/zinc/31/54/94/445315494.db2.gz OZMHMUALYCPVGS-CVEARBPZSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000351788103 445321907 /nfs/dbraw/zinc/32/19/07/445321907.db2.gz YUAVHGFSRNPPBY-UHFFFAOYSA-N 2 1 340.512 1.663 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC000348379658 445271843 /nfs/dbraw/zinc/27/18/43/445271843.db2.gz KXBWRLRYYJMAAA-OWCLPIDISA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000351790399 445323040 /nfs/dbraw/zinc/32/30/40/445323040.db2.gz PAXJANJKWWGLNV-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)CCCCCO)cc[nH+]1 ZINC000348161516 445294986 /nfs/dbraw/zinc/29/49/86/445294986.db2.gz WTVWOCZQAJBXSD-GJZGRUSLSA-N 2 1 339.459 1.554 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)CCCCCO)cc[nH+]1 ZINC000348161516 445294990 /nfs/dbraw/zinc/29/49/90/445294990.db2.gz WTVWOCZQAJBXSD-GJZGRUSLSA-N 2 1 339.459 1.554 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354686222 445340483 /nfs/dbraw/zinc/34/04/83/445340483.db2.gz ZJSTXGLGEZVXDY-HOTGVXAUSA-N 2 1 338.496 1.016 20 0 EDADMP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351854422 445343836 /nfs/dbraw/zinc/34/38/36/445343836.db2.gz QYFADJNMDOEELO-QAPCUYQASA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351854422 445343838 /nfs/dbraw/zinc/34/38/38/445343838.db2.gz QYFADJNMDOEELO-QAPCUYQASA-N 2 1 333.476 1.897 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351859149 445345061 /nfs/dbraw/zinc/34/50/61/445345061.db2.gz FQABABYACXFNJJ-JKSUJKDBSA-N 2 1 348.466 1.534 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000351858439 445345372 /nfs/dbraw/zinc/34/53/72/445345372.db2.gz DFGWPUVFIUOFAT-OLZOCXBDSA-N 2 1 332.473 1.624 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000351858439 445345373 /nfs/dbraw/zinc/34/53/73/445345373.db2.gz DFGWPUVFIUOFAT-OLZOCXBDSA-N 2 1 332.473 1.624 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000351862200 445346662 /nfs/dbraw/zinc/34/66/62/445346662.db2.gz OLZHMSQNUBWEGH-JLJPHGGASA-N 2 1 335.423 1.395 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000351862200 445346664 /nfs/dbraw/zinc/34/66/64/445346664.db2.gz OLZHMSQNUBWEGH-JLJPHGGASA-N 2 1 335.423 1.395 20 0 EDADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351865429 445347677 /nfs/dbraw/zinc/34/76/77/445347677.db2.gz MTMIENQERSPILB-JJXSEGSLSA-N 2 1 347.459 1.342 20 0 EDADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351865429 445347680 /nfs/dbraw/zinc/34/76/80/445347680.db2.gz MTMIENQERSPILB-JJXSEGSLSA-N 2 1 347.459 1.342 20 0 EDADMP Cc1nccn1CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000348756964 445363525 /nfs/dbraw/zinc/36/35/25/445363525.db2.gz RNCGFGWBZCPJLO-IAGOWNOFSA-N 2 1 333.480 1.162 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000348756964 445363530 /nfs/dbraw/zinc/36/35/30/445363530.db2.gz RNCGFGWBZCPJLO-IAGOWNOFSA-N 3 1 333.480 1.162 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000348756964 445363537 /nfs/dbraw/zinc/36/35/37/445363537.db2.gz RNCGFGWBZCPJLO-IAGOWNOFSA-N 3 1 333.480 1.162 20 0 EDADMP CC[NH+]1CCC(NC(=O)CN2CC[N@@H+](C)CC23CCCCC3)CC1 ZINC000362478818 445403420 /nfs/dbraw/zinc/40/34/20/445403420.db2.gz HFFUREBVYZCDED-UHFFFAOYSA-N 2 1 336.524 1.537 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000348833798 445407883 /nfs/dbraw/zinc/40/78/83/445407883.db2.gz QMXIZCSBHPMSNM-APWZRJJASA-N 2 1 345.487 1.660 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000348833798 445407884 /nfs/dbraw/zinc/40/78/84/445407884.db2.gz QMXIZCSBHPMSNM-APWZRJJASA-N 2 1 345.487 1.660 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000348833798 445407885 /nfs/dbraw/zinc/40/78/85/445407885.db2.gz QMXIZCSBHPMSNM-APWZRJJASA-N 2 1 345.487 1.660 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000348833798 445407886 /nfs/dbraw/zinc/40/78/86/445407886.db2.gz QMXIZCSBHPMSNM-APWZRJJASA-N 2 1 345.487 1.660 20 0 EDADMP O=C(CCOC1C[NH2+]C1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000349006243 445473121 /nfs/dbraw/zinc/47/31/21/445473121.db2.gz UAAZIMBTJHWOMN-KRWDZBQOSA-N 2 1 331.460 1.046 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)CCOC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000349011516 445475757 /nfs/dbraw/zinc/47/57/57/445475757.db2.gz YNFPOZMSPQFDCN-SJLPKXTDSA-N 2 1 345.487 1.876 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[NH2+]Cc2cncs2)cc[nH+]1 ZINC000354918512 445433430 /nfs/dbraw/zinc/43/34/30/445433430.db2.gz ILKKTIVIQIUEAT-NEPJUHHUSA-N 2 1 336.440 1.706 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362562414 445440429 /nfs/dbraw/zinc/44/04/29/445440429.db2.gz SPWXPRSHTVPSAC-GJZGRUSLSA-N 2 1 333.480 1.871 20 0 EDADMP C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C[N@H+]1C ZINC000355089728 445442430 /nfs/dbraw/zinc/44/24/30/445442430.db2.gz SBTITXUMEGKJKK-RYRKJORJSA-N 2 1 332.492 1.430 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000362564727 445442831 /nfs/dbraw/zinc/44/28/31/445442831.db2.gz NOLWEUXHUAHSLU-OAHLLOKOSA-N 2 1 331.464 1.435 20 0 EDADMP CCN1CCO[C@H](C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000352039408 445455039 /nfs/dbraw/zinc/45/50/39/445455039.db2.gz FYRRTHYZSMFVEH-SZMVWBNQSA-N 2 1 331.460 1.659 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000352039408 445455043 /nfs/dbraw/zinc/45/50/43/445455043.db2.gz FYRRTHYZSMFVEH-SZMVWBNQSA-N 2 1 331.460 1.659 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000352039408 445455046 /nfs/dbraw/zinc/45/50/46/445455046.db2.gz FYRRTHYZSMFVEH-SZMVWBNQSA-N 2 1 331.460 1.659 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000352039408 445455055 /nfs/dbraw/zinc/45/50/55/445455055.db2.gz FYRRTHYZSMFVEH-SZMVWBNQSA-N 2 1 331.460 1.659 20 0 EDADMP CC(C)N1CC[C@H]([NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000355550224 445467379 /nfs/dbraw/zinc/46/73/79/445467379.db2.gz GBNIASZUVMBKPV-JZXOWHBKSA-N 2 1 337.508 1.817 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)CCOC1C[NH2+]C1)c1ccccc1Cl ZINC000348992990 445468400 /nfs/dbraw/zinc/46/84/00/445468400.db2.gz PXIZQOXFDOSUTC-HNNXBMFYSA-N 2 1 325.840 1.437 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000359924248 445491163 /nfs/dbraw/zinc/49/11/63/445491163.db2.gz NBGFXBQLBSVPRH-HZPDHXFCSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000359924248 445491166 /nfs/dbraw/zinc/49/11/66/445491166.db2.gz NBGFXBQLBSVPRH-HZPDHXFCSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000359924248 445491169 /nfs/dbraw/zinc/49/11/69/445491169.db2.gz NBGFXBQLBSVPRH-HZPDHXFCSA-N 2 1 342.528 1.593 20 0 EDADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000352112066 445500101 /nfs/dbraw/zinc/50/01/01/445500101.db2.gz QCSHVHBDLNXKLB-QUCCMNQESA-N 2 1 347.503 1.860 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000353090079 445575377 /nfs/dbraw/zinc/57/53/77/445575377.db2.gz RTGCXWHYPQCTAV-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000360125380 445581388 /nfs/dbraw/zinc/58/13/88/445581388.db2.gz OULVAAPCIJWYMF-MRXNPFEDSA-N 2 1 342.528 1.715 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000360125380 445581391 /nfs/dbraw/zinc/58/13/91/445581391.db2.gz OULVAAPCIJWYMF-MRXNPFEDSA-N 2 1 342.528 1.715 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000360125544 445581687 /nfs/dbraw/zinc/58/16/87/445581687.db2.gz PLGFSESUXMTRTC-CVEARBPZSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000360125544 445581690 /nfs/dbraw/zinc/58/16/90/445581690.db2.gz PLGFSESUXMTRTC-CVEARBPZSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000360125544 445581693 /nfs/dbraw/zinc/58/16/93/445581693.db2.gz PLGFSESUXMTRTC-CVEARBPZSA-N 2 1 340.512 1.610 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000358141664 445607006 /nfs/dbraw/zinc/60/70/06/445607006.db2.gz PXIVCHWXTRBDHV-ULQDDVLXSA-N 2 1 340.512 1.611 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000358141664 445607012 /nfs/dbraw/zinc/60/70/12/445607012.db2.gz PXIVCHWXTRBDHV-ULQDDVLXSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CCCc3[nH+]ccn32)C[C@@H](C)O1 ZINC000362939866 445617886 /nfs/dbraw/zinc/61/78/86/445617886.db2.gz GJMHMIOCYOHBPB-BZUAXINKSA-N 2 1 334.464 1.766 20 0 EDADMP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccn(C)n1 ZINC000349450273 445590821 /nfs/dbraw/zinc/59/08/21/445590821.db2.gz HGMRSBYAXHAHTE-KRWDZBQOSA-N 2 1 343.475 1.952 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000349682512 445643963 /nfs/dbraw/zinc/64/39/63/445643963.db2.gz BTJVYEPUZWWQLG-DLBZAZTESA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)C1 ZINC000349682512 445643969 /nfs/dbraw/zinc/64/39/69/445643969.db2.gz BTJVYEPUZWWQLG-DLBZAZTESA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)C1 ZINC000349682512 445643971 /nfs/dbraw/zinc/64/39/71/445643971.db2.gz BTJVYEPUZWWQLG-DLBZAZTESA-N 2 1 340.512 1.325 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000363014891 445649951 /nfs/dbraw/zinc/64/99/51/445649951.db2.gz QHBMRQQGAITHHN-ULQDDVLXSA-N 2 1 340.512 1.517 20 0 EDADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000353581190 445665208 /nfs/dbraw/zinc/66/52/08/445665208.db2.gz WEGRBBBXIZLOMQ-NVXWUHKLSA-N 2 1 333.480 1.083 20 0 EDADMP C[NH+](C)Cc1ccc(N2CCN(c3[nH+]cnc4[nH]ccc43)CC2)nc1 ZINC000363142399 445694825 /nfs/dbraw/zinc/69/48/25/445694825.db2.gz LNDUPGMUYZREFS-UHFFFAOYSA-N 2 1 337.431 1.741 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000363147098 445696634 /nfs/dbraw/zinc/69/66/34/445696634.db2.gz NOIZPXHXLVGWSA-UHFFFAOYSA-N 2 1 344.503 1.358 20 0 EDADMP CC[N@H+]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000363147098 445696635 /nfs/dbraw/zinc/69/66/35/445696635.db2.gz NOIZPXHXLVGWSA-UHFFFAOYSA-N 2 1 344.503 1.358 20 0 EDADMP COC(=O)c1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000353665486 445698840 /nfs/dbraw/zinc/69/88/40/445698840.db2.gz KHXHNBLOLTXFJI-UHFFFAOYSA-N 2 1 347.459 1.555 20 0 EDADMP Cc1cccc2ncc(C[NH2+]CC(=O)NCC[NH+]3CCCCCC3)n21 ZINC000353667661 445699525 /nfs/dbraw/zinc/69/95/25/445699525.db2.gz CZPFYESYEVWWCJ-UHFFFAOYSA-N 2 1 343.475 1.725 20 0 EDADMP C[C@H]1C[C@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[NH2+]1 ZINC000358678363 445711864 /nfs/dbraw/zinc/71/18/64/445711864.db2.gz HPFATSOJTVDIOO-MAUKXSAKSA-N 2 1 331.460 1.523 20 0 EDADMP C[NH+](C)CCOCCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000349917379 445720859 /nfs/dbraw/zinc/72/08/59/445720859.db2.gz ZTSLIWHMEUQCMA-GOSISDBHSA-N 2 1 348.491 1.386 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000353701637 445715583 /nfs/dbraw/zinc/71/55/83/445715583.db2.gz JEEGXXGUYPCCJR-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000353701637 445715587 /nfs/dbraw/zinc/71/55/87/445715587.db2.gz JEEGXXGUYPCCJR-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000353701637 445715591 /nfs/dbraw/zinc/71/55/91/445715591.db2.gz JEEGXXGUYPCCJR-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000349941906 445729641 /nfs/dbraw/zinc/72/96/41/445729641.db2.gz ZTWLFZUOBMXMMJ-MRXNPFEDSA-N 2 1 326.485 1.319 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)[C@@H]2C)C1 ZINC000350004624 445747378 /nfs/dbraw/zinc/74/73/78/445747378.db2.gz DUFUPKNPCYDEMQ-BBWFWOEESA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)[C@@H]2C)C1 ZINC000350004624 445747380 /nfs/dbraw/zinc/74/73/80/445747380.db2.gz DUFUPKNPCYDEMQ-BBWFWOEESA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363286201 445752443 /nfs/dbraw/zinc/75/24/43/445752443.db2.gz FANBZTJRYGFZRW-KANFNMMFSA-N 2 1 349.519 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000358868665 445821048 /nfs/dbraw/zinc/82/10/48/445821048.db2.gz ZLIUEQHXWPFVBS-BBWFWOEESA-N 2 1 326.481 1.613 20 0 EDADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000358868665 445821050 /nfs/dbraw/zinc/82/10/50/445821050.db2.gz ZLIUEQHXWPFVBS-BBWFWOEESA-N 2 1 326.481 1.613 20 0 EDADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000358868668 445821227 /nfs/dbraw/zinc/82/12/27/445821227.db2.gz ZLIUEQHXWPFVBS-ZACQAIPSSA-N 2 1 326.481 1.613 20 0 EDADMP C[C@H](O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000356443670 445792211 /nfs/dbraw/zinc/79/22/11/445792211.db2.gz FODXAZOSTKGNDT-LNLFQRSKSA-N 2 1 345.487 1.595 20 0 EDADMP C[C@H](O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000356443670 445792214 /nfs/dbraw/zinc/79/22/14/445792214.db2.gz FODXAZOSTKGNDT-LNLFQRSKSA-N 2 1 345.487 1.595 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000358935434 445857036 /nfs/dbraw/zinc/85/70/36/445857036.db2.gz OGBQVHXZIJXRPY-UHFFFAOYSA-N 2 1 349.431 1.367 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1O ZINC000369112177 445935538 /nfs/dbraw/zinc/93/55/38/445935538.db2.gz KHPJVXNJAKADSN-NVXWUHKLSA-N 2 1 333.476 1.859 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1O ZINC000369112177 445935545 /nfs/dbraw/zinc/93/55/45/445935545.db2.gz KHPJVXNJAKADSN-NVXWUHKLSA-N 2 1 333.476 1.859 20 0 EDADMP COC1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000361725262 445899695 /nfs/dbraw/zinc/89/96/95/445899695.db2.gz DFMPPPGCAYHXGX-SFHVURJKSA-N 2 1 345.487 1.783 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000354153700 445951650 /nfs/dbraw/zinc/95/16/50/445951650.db2.gz MCNCBIMDRIXHSJ-ROUUACIJSA-N 2 1 339.524 1.970 20 0 EDADMP CCn1cc(CC[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cn1 ZINC000351264674 446020662 /nfs/dbraw/zinc/02/06/62/446020662.db2.gz BDEYJAAGJWNIBG-QZTJIDSGSA-N 2 1 333.524 1.936 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000583554042 326093787 /nfs/dbraw/zinc/09/37/87/326093787.db2.gz BQZKTVXRHZTQBU-DLBZAZTESA-N 2 1 345.491 1.248 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000583628759 326107375 /nfs/dbraw/zinc/10/73/75/326107375.db2.gz UYZQQYXAUPBWEB-SFHVURJKSA-N 2 1 346.519 1.856 20 0 EDADMP Cc1ccc(OC[C@H](O)C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000583867366 326155413 /nfs/dbraw/zinc/15/54/13/326155413.db2.gz DGQMWMFXZVKHGT-QGZVFWFLSA-N 2 1 335.492 1.350 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351436810 446066209 /nfs/dbraw/zinc/06/62/09/446066209.db2.gz ARACIODCZFOYMZ-UXLLHSPISA-N 2 1 325.497 1.458 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351436810 446066211 /nfs/dbraw/zinc/06/62/11/446066211.db2.gz ARACIODCZFOYMZ-UXLLHSPISA-N 2 1 325.497 1.458 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351436810 446066215 /nfs/dbraw/zinc/06/62/15/446066215.db2.gz ARACIODCZFOYMZ-UXLLHSPISA-N 2 1 325.497 1.458 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351436810 446066221 /nfs/dbraw/zinc/06/62/21/446066221.db2.gz ARACIODCZFOYMZ-UXLLHSPISA-N 2 1 325.497 1.458 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)[C@@H](C)C1 ZINC000361924446 446072710 /nfs/dbraw/zinc/07/27/10/446072710.db2.gz NIXKNYYBMLPYIQ-HOCLYGCPSA-N 2 1 334.464 1.407 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)[C@@H](C)C1 ZINC000361924446 446072719 /nfs/dbraw/zinc/07/27/19/446072719.db2.gz NIXKNYYBMLPYIQ-HOCLYGCPSA-N 2 1 334.464 1.407 20 0 EDADMP COC[C@@H](C)OC[C@H](O)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000373174307 446074285 /nfs/dbraw/zinc/07/42/85/446074285.db2.gz UPJOBTVUJFTXFH-NVXWUHKLSA-N 2 1 337.464 1.679 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)[C@@H](C)[C@H]3C)cc2)CC1 ZINC000356872160 446085135 /nfs/dbraw/zinc/08/51/35/446085135.db2.gz JQNREVWNBWKFQH-DLBZAZTESA-N 2 1 344.503 1.993 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000359262862 446098592 /nfs/dbraw/zinc/09/85/92/446098592.db2.gz HFLVYRNJOFBINM-CVEARBPZSA-N 2 1 340.512 1.214 20 0 EDADMP O=C(CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000359285062 446120386 /nfs/dbraw/zinc/12/03/86/446120386.db2.gz LMMUOHUFYNYZOP-IYBDPMFKSA-N 2 1 346.450 1.016 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2[C@H]1c1ccccc1 ZINC000369915771 446167112 /nfs/dbraw/zinc/16/71/12/446167112.db2.gz JJZDFFCPUMVUNR-XWTMOSNGSA-N 2 1 329.444 1.078 20 0 EDADMP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2[C@H]1c1ccccc1 ZINC000369915771 446167116 /nfs/dbraw/zinc/16/71/16/446167116.db2.gz JJZDFFCPUMVUNR-XWTMOSNGSA-N 2 1 329.444 1.078 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2[C@H]1c1ccccc1 ZINC000369915771 446167120 /nfs/dbraw/zinc/16/71/20/446167120.db2.gz JJZDFFCPUMVUNR-XWTMOSNGSA-N 2 1 329.444 1.078 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2[C@H]1c1ccccc1 ZINC000369915771 446167124 /nfs/dbraw/zinc/16/71/24/446167124.db2.gz JJZDFFCPUMVUNR-XWTMOSNGSA-N 2 1 329.444 1.078 20 0 EDADMP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)[C@H]1c1cccc(Cl)c1 ZINC000366327932 446153697 /nfs/dbraw/zinc/15/36/97/446153697.db2.gz IMFDURWZROIBHL-VNQPRFMTSA-N 2 1 337.851 1.437 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)[C@H]1c1cccc(Cl)c1 ZINC000366327932 446153703 /nfs/dbraw/zinc/15/37/03/446153703.db2.gz IMFDURWZROIBHL-VNQPRFMTSA-N 2 1 337.851 1.437 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)no1 ZINC000359436098 446221636 /nfs/dbraw/zinc/22/16/36/446221636.db2.gz IKOGHEJDASHIRO-UHFFFAOYSA-N 2 1 342.443 1.565 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[NH+](C3CC3)CC2)CCCO1 ZINC000365497103 446231665 /nfs/dbraw/zinc/23/16/65/446231665.db2.gz ILPJGJLQAAYGDI-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[N@@H+](C3CC3)CC2)CCCO1 ZINC000365497103 446231670 /nfs/dbraw/zinc/23/16/70/446231670.db2.gz ILPJGJLQAAYGDI-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[N@H+](C3CC3)CC2)CCCO1 ZINC000365497103 446231676 /nfs/dbraw/zinc/23/16/76/446231676.db2.gz ILPJGJLQAAYGDI-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)cc2)[nH]1 ZINC000365558995 446253968 /nfs/dbraw/zinc/25/39/68/446253968.db2.gz UQEOVJJYIRRLEJ-ZFWWWQNUSA-N 2 1 340.431 1.743 20 0 EDADMP C[C@](O)(C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000373569203 446265036 /nfs/dbraw/zinc/26/50/36/446265036.db2.gz PZUNNMLZDKVTHZ-FQEVSTJZSA-N 2 1 347.503 1.234 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000370470569 446293744 /nfs/dbraw/zinc/29/37/44/446293744.db2.gz HOFGSGGWFHTERZ-NVXWUHKLSA-N 2 1 334.508 1.146 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000370470569 446293748 /nfs/dbraw/zinc/29/37/48/446293748.db2.gz HOFGSGGWFHTERZ-NVXWUHKLSA-N 2 1 334.508 1.146 20 0 EDADMP c1cc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)nc(N2CCOCC2)n1 ZINC000373820600 446335265 /nfs/dbraw/zinc/33/52/65/446335265.db2.gz XKEDOHCHVHSNHW-KRWDZBQOSA-N 2 1 345.491 2.522 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC000365783300 446342172 /nfs/dbraw/zinc/34/21/72/446342172.db2.gz YTNRBBYVJRAMEH-CABCVRRESA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000366771007 446343918 /nfs/dbraw/zinc/34/39/18/446343918.db2.gz YFUSCMAERRRYBZ-SFHVURJKSA-N 2 1 346.475 1.583 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000366771007 446343921 /nfs/dbraw/zinc/34/39/21/446343921.db2.gz YFUSCMAERRRYBZ-SFHVURJKSA-N 2 1 346.475 1.583 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000365837513 446364373 /nfs/dbraw/zinc/36/43/73/446364373.db2.gz LQMOYTSXAUYEKN-HNNXBMFYSA-N 2 1 348.495 2.003 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417580813 446365830 /nfs/dbraw/zinc/36/58/30/446365830.db2.gz GICLJQRFEQJFQI-HNNXBMFYSA-N 2 1 340.512 1.707 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)N(CC[NH3+])CCO)[C@@H]1c1cccs1 ZINC000417745269 446371451 /nfs/dbraw/zinc/37/14/51/446371451.db2.gz ZUSSHNVHHFMWLP-DZGCQCFKSA-N 2 1 340.493 1.094 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000366830856 446372498 /nfs/dbraw/zinc/37/24/98/446372498.db2.gz SSIZRWLYFGXZOY-QZTJIDSGSA-N 2 1 337.508 1.699 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000366830856 446372505 /nfs/dbraw/zinc/37/25/05/446372505.db2.gz SSIZRWLYFGXZOY-QZTJIDSGSA-N 2 1 337.508 1.699 20 0 EDADMP CC[C@H](NC(=O)NCC[C@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417898434 446380477 /nfs/dbraw/zinc/38/04/77/446380477.db2.gz RNRRSCWNOKQEOB-RYQLBKOJSA-N 2 1 348.491 1.703 20 0 EDADMP CC[C@H](NC(=O)NCC[C@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417898434 446380482 /nfs/dbraw/zinc/38/04/82/446380482.db2.gz RNRRSCWNOKQEOB-RYQLBKOJSA-N 2 1 348.491 1.703 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000365881980 446385688 /nfs/dbraw/zinc/38/56/88/446385688.db2.gz DYTXQFQRYFLIKY-SFHVURJKSA-N 2 1 344.503 1.600 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC000366861274 446386820 /nfs/dbraw/zinc/38/68/20/446386820.db2.gz DWGMBBDRCLLEKF-RTBURBONSA-N 2 1 343.471 1.933 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC000366861274 446386825 /nfs/dbraw/zinc/38/68/25/446386825.db2.gz DWGMBBDRCLLEKF-RTBURBONSA-N 2 1 343.471 1.933 20 0 EDADMP CCNc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)nc(NC(C)(C)C)[nH+]1 ZINC000376222341 446388497 /nfs/dbraw/zinc/38/84/97/446388497.db2.gz PXDRFBVCNQJJDW-CYBMUJFWSA-N 2 1 333.484 1.610 20 0 EDADMP [NH3+]CCCN(CC1CCCC1)c1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000420249179 446431757 /nfs/dbraw/zinc/43/17/57/446431757.db2.gz IVWRTDVZLJJSKW-MRXNPFEDSA-N 2 1 333.480 2.413 20 0 EDADMP [NH3+]Cc1nc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cs1 ZINC000374890478 446439064 /nfs/dbraw/zinc/43/90/64/446439064.db2.gz DSZZLNZMXCZURF-CHWSQXEVSA-N 2 1 334.420 1.616 20 0 EDADMP C[NH+]1CCN(C(=O)CCN2CCC[C@H]2C[NH+]2CCCCCC2)CC1 ZINC000366993628 446450570 /nfs/dbraw/zinc/45/05/70/446450570.db2.gz DNBHNMPZXZXLPD-SFHVURJKSA-N 2 1 336.524 1.491 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417989593 446409347 /nfs/dbraw/zinc/40/93/47/446409347.db2.gz TYONWTKGYRRYST-NVXWUHKLSA-N 2 1 334.464 1.185 20 0 EDADMP C[C@H](CC[NH+]1CCCC[C@H]1C(N)=O)CC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000411150994 446410467 /nfs/dbraw/zinc/41/04/67/446410467.db2.gz AHQKZFVEJKIQJQ-MUJYYYPQSA-N 2 1 338.496 1.082 20 0 EDADMP C[C@@H](CC[NH+]1CCCC[C@@H]1C(N)=O)CC[N@@H+]1CCCC[C@H]1C(N)=O ZINC000411150994 446410470 /nfs/dbraw/zinc/41/04/70/446410470.db2.gz AHQKZFVEJKIQJQ-MUJYYYPQSA-N 2 1 338.496 1.082 20 0 EDADMP C[C@@H](CC[NH+]1CCCC[C@@H]1C(N)=O)CC[N@H+]1CCCC[C@H]1C(N)=O ZINC000411150994 446410474 /nfs/dbraw/zinc/41/04/74/446410474.db2.gz AHQKZFVEJKIQJQ-MUJYYYPQSA-N 2 1 338.496 1.082 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000418201813 446455214 /nfs/dbraw/zinc/45/52/14/446455214.db2.gz SPTYAKZSOFIHBG-DOTOQJQBSA-N 2 1 333.480 1.858 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000418201813 446455222 /nfs/dbraw/zinc/45/52/22/446455222.db2.gz SPTYAKZSOFIHBG-DOTOQJQBSA-N 2 1 333.480 1.858 20 0 EDADMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420296889 446459820 /nfs/dbraw/zinc/45/98/20/446459820.db2.gz CLHITMRGUXXCBF-BZSNNMDCSA-N 2 1 333.476 1.250 20 0 EDADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420296889 446459827 /nfs/dbraw/zinc/45/98/27/446459827.db2.gz CLHITMRGUXXCBF-BZSNNMDCSA-N 2 1 333.476 1.250 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000376382316 446465962 /nfs/dbraw/zinc/46/59/62/446465962.db2.gz DAOGJQAMNLWOLO-SFHVURJKSA-N 2 1 330.476 1.306 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CCCc2ccncc2)C1)[C@H]1CCC[NH2+]1 ZINC000420312026 446475663 /nfs/dbraw/zinc/47/56/63/446475663.db2.gz HPGZDEWDBBIIEN-ZWKOTPCHSA-N 2 1 330.476 1.594 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423300675 446477868 /nfs/dbraw/zinc/47/78/68/446477868.db2.gz DVFNNANVDUDGSW-CABCVRRESA-N 2 1 333.480 1.871 20 0 EDADMP COC[C@]1(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC[NH2+]C1 ZINC000423299024 446478110 /nfs/dbraw/zinc/47/81/10/446478110.db2.gz BHOLIEBKLQMTFW-IBGZPJMESA-N 2 1 331.460 1.265 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420317605 446483014 /nfs/dbraw/zinc/48/30/14/446483014.db2.gz ZQQILMJBXSEPKI-WMLDXEAASA-N 2 1 326.444 1.563 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420317605 446483020 /nfs/dbraw/zinc/48/30/20/446483020.db2.gz ZQQILMJBXSEPKI-WMLDXEAASA-N 2 1 326.444 1.563 20 0 EDADMP C[C@@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000423317029 446486867 /nfs/dbraw/zinc/48/68/67/446486867.db2.gz BDNNAUBBZLMRDI-VYDXJSESSA-N 2 1 333.480 1.658 20 0 EDADMP COC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321963 446487725 /nfs/dbraw/zinc/48/77/25/446487725.db2.gz DLTRALYDPGHLSB-CABCVRRESA-N 2 1 345.443 1.733 20 0 EDADMP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322849 446489064 /nfs/dbraw/zinc/48/90/64/446489064.db2.gz FPAJGXZEXJQMQV-WBVHZDCISA-N 2 1 343.471 1.652 20 0 EDADMP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322849 446489067 /nfs/dbraw/zinc/48/90/67/446489067.db2.gz FPAJGXZEXJQMQV-WBVHZDCISA-N 2 1 343.471 1.652 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)CC12CCOCC2 ZINC000420326709 446493255 /nfs/dbraw/zinc/49/32/55/446493255.db2.gz KMHFPIPQJIDRAF-AWEZNQCLSA-N 2 1 335.423 1.842 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000423338470 446495025 /nfs/dbraw/zinc/49/50/25/446495025.db2.gz RSMJZCMMDQYAIK-PBHICJAKSA-N 2 1 347.459 1.425 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423367603 446503841 /nfs/dbraw/zinc/50/38/41/446503841.db2.gz DJBSRKAXHSPLGF-HUUCEWRRSA-N 2 1 333.480 1.491 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418333428 446504025 /nfs/dbraw/zinc/50/40/25/446504025.db2.gz GRIWIWXQBFONQX-SFHVURJKSA-N 2 1 347.507 1.935 20 0 EDADMP CC(C)N(C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C1CCCC1 ZINC000420335013 446504456 /nfs/dbraw/zinc/50/44/56/446504456.db2.gz UREXZSXNTQNPER-INIZCTEOSA-N 2 1 337.508 1.853 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420334058 446505229 /nfs/dbraw/zinc/50/52/29/446505229.db2.gz KZTQMNROMWFQDS-CEXWTWQISA-N 3 1 344.503 1.337 20 0 EDADMP Cc1ccccc1CN(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337119 446507693 /nfs/dbraw/zinc/50/76/93/446507693.db2.gz WKEPFKJJEVRXDX-SFHVURJKSA-N 2 1 345.487 1.641 20 0 EDADMP Cc1ccccc1CN(C)C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337119 446507698 /nfs/dbraw/zinc/50/76/98/446507698.db2.gz WKEPFKJJEVRXDX-SFHVURJKSA-N 2 1 345.487 1.641 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418343822 446509123 /nfs/dbraw/zinc/50/91/23/446509123.db2.gz KBQZYJXACWOZMF-INIZCTEOSA-N 2 1 339.528 1.091 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000423378184 446510002 /nfs/dbraw/zinc/51/00/02/446510002.db2.gz ZKQUZDDYOLYDID-RDJZCZTQSA-N 2 1 331.460 1.707 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420341450 446514205 /nfs/dbraw/zinc/51/42/05/446514205.db2.gz OOFAKUGFVCFRFT-QZTJIDSGSA-N 2 1 345.487 1.675 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCCC[NH2+]Cc2cccnc2)C[C@H]1C ZINC000418323194 446497572 /nfs/dbraw/zinc/49/75/72/446497572.db2.gz DVBFNGXOSMHOAY-HZPDHXFCSA-N 2 1 333.480 1.685 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000420328905 446497791 /nfs/dbraw/zinc/49/77/91/446497791.db2.gz NKICXWONVKQDSY-SQNIBIBYSA-N 2 1 343.471 1.428 20 0 EDADMP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329766 446499068 /nfs/dbraw/zinc/49/90/68/446499068.db2.gz OXUUSGXSVIPWIR-AEFFLSMTSA-N 2 1 345.487 1.687 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000423359380 446500048 /nfs/dbraw/zinc/50/00/48/446500048.db2.gz UYFFFJAVQGDEQV-INIZCTEOSA-N 2 1 333.432 1.544 20 0 EDADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000420331115 446500876 /nfs/dbraw/zinc/50/08/76/446500876.db2.gz QQERWIUVEBEGQJ-GOEBONIOSA-N 2 1 349.450 1.690 20 0 EDADMP C[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000420331115 446500882 /nfs/dbraw/zinc/50/08/82/446500882.db2.gz QQERWIUVEBEGQJ-GOEBONIOSA-N 2 1 349.450 1.690 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420394007 446568340 /nfs/dbraw/zinc/56/83/40/446568340.db2.gz CHPCZNWQJKDMND-KEYYUXOJSA-N 2 1 347.459 1.395 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420394007 446568345 /nfs/dbraw/zinc/56/83/45/446568345.db2.gz CHPCZNWQJKDMND-KEYYUXOJSA-N 2 1 347.459 1.395 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NCC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418492394 446565617 /nfs/dbraw/zinc/56/56/17/446565617.db2.gz VANFQHQAPPQMIR-CRAIPNDOSA-N 2 1 330.476 1.900 20 0 EDADMP CC[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000423395437 446516965 /nfs/dbraw/zinc/51/69/65/446516965.db2.gz SOJGVUGTOKMONP-HUUCEWRRSA-N 2 1 349.479 1.060 20 0 EDADMP CC[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000423395437 446516966 /nfs/dbraw/zinc/51/69/66/446516966.db2.gz SOJGVUGTOKMONP-HUUCEWRRSA-N 2 1 349.479 1.060 20 0 EDADMP O=C(NC[C@@H]1CCC[NH2+]1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418379759 446521020 /nfs/dbraw/zinc/52/10/20/446521020.db2.gz WGXYWMBMONNJMA-QYZOEREBSA-N 2 1 342.487 1.902 20 0 EDADMP C[C@H](C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1)CS(C)(=O)=O ZINC000367209507 446521388 /nfs/dbraw/zinc/52/13/88/446521388.db2.gz RDRFWIOQCPFAQI-HUUCEWRRSA-N 2 1 328.522 1.863 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC2)nc(C)[nH+]1 ZINC000423425011 446531128 /nfs/dbraw/zinc/53/11/28/446531128.db2.gz GHAQMOUIQUPAHM-DYVFJYSZSA-N 2 1 333.480 1.798 20 0 EDADMP COC[C@]1(CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC[NH2+]1 ZINC000423429693 446533299 /nfs/dbraw/zinc/53/32/99/446533299.db2.gz PFAGXAZETUHBMB-NZSAHSFTSA-N 2 1 332.492 1.650 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000433155996 446539376 /nfs/dbraw/zinc/53/93/76/446539376.db2.gz HEEADOBIRMBHIE-LMMKCTJWSA-N 2 1 345.487 1.906 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)ccc1C[NH+](C)C ZINC000411442879 446545183 /nfs/dbraw/zinc/54/51/83/446545183.db2.gz RAEQPIURXANGOE-HUUCEWRRSA-N 2 1 346.475 1.546 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)ccc1C[NH+](C)C ZINC000411442879 446545187 /nfs/dbraw/zinc/54/51/87/446545187.db2.gz RAEQPIURXANGOE-HUUCEWRRSA-N 2 1 346.475 1.546 20 0 EDADMP COCCOC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCOCC1 ZINC000453254489 446553415 /nfs/dbraw/zinc/55/34/15/446553415.db2.gz AFLCBUDJLAIKIQ-BBWFWOEESA-N 2 1 326.481 1.661 20 0 EDADMP COC(=O)c1cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(C)s1 ZINC000420380795 446556762 /nfs/dbraw/zinc/55/67/62/446556762.db2.gz OFEKKCLWHPWLET-AWEZNQCLSA-N 2 1 349.460 1.730 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(C)s1 ZINC000420380795 446556770 /nfs/dbraw/zinc/55/67/70/446556770.db2.gz OFEKKCLWHPWLET-AWEZNQCLSA-N 2 1 349.460 1.730 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)CCC2 ZINC000423501570 446556877 /nfs/dbraw/zinc/55/68/77/446556877.db2.gz LGHBUQZWTNXBPH-IRXDYDNUSA-N 2 1 337.489 1.819 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C[N@@H+]1C1CC1 ZINC000367941856 446611626 /nfs/dbraw/zinc/61/16/26/446611626.db2.gz MSQYKCSCUNQHGE-HUUCEWRRSA-N 2 1 345.491 1.466 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C[N@H+]1C1CC1 ZINC000367941856 446611633 /nfs/dbraw/zinc/61/16/33/446611633.db2.gz MSQYKCSCUNQHGE-HUUCEWRRSA-N 2 1 345.491 1.466 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C[NH+]1C1CC1 ZINC000367941856 446611640 /nfs/dbraw/zinc/61/16/40/446611640.db2.gz MSQYKCSCUNQHGE-HUUCEWRRSA-N 2 1 345.491 1.466 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C[NH+]1C1CC1 ZINC000367941856 446611650 /nfs/dbraw/zinc/61/16/50/446611650.db2.gz MSQYKCSCUNQHGE-HUUCEWRRSA-N 2 1 345.491 1.466 20 0 EDADMP O=C1N[C@H]2C[N@@H+](CCc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420397214 446572042 /nfs/dbraw/zinc/57/20/42/446572042.db2.gz FGVJIHWHCQJNMA-ZWKOTPCHSA-N 2 1 328.460 1.449 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418512874 446575241 /nfs/dbraw/zinc/57/52/41/446575241.db2.gz LPMHMKJOJKVZAK-GWCFXTLKSA-N 2 1 348.344 1.304 20 0 EDADMP CN(C(=O)NCC(F)(F)C[NH3+])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000418516339 446576778 /nfs/dbraw/zinc/57/67/78/446576778.db2.gz RWALEZRLOBHSKW-UHFFFAOYSA-N 2 1 346.344 1.639 20 0 EDADMP CC(C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433467581 446578444 /nfs/dbraw/zinc/57/84/44/446578444.db2.gz QYHZHRMNOTYMHS-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420406587 446579939 /nfs/dbraw/zinc/57/99/39/446579939.db2.gz RBEVEHBKTQPYFG-MOPGFXCFSA-N 2 1 342.487 1.839 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000418601233 446609756 /nfs/dbraw/zinc/60/97/56/446609756.db2.gz UJATUAMJAKZSLR-JFIYKMOQSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000418601233 446609762 /nfs/dbraw/zinc/60/97/62/446609762.db2.gz UJATUAMJAKZSLR-JFIYKMOQSA-N 2 1 330.476 1.900 20 0 EDADMP O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434351848 446637355 /nfs/dbraw/zinc/63/73/55/446637355.db2.gz LTKCMVDMYPXSPE-IAGOWNOFSA-N 2 1 338.496 1.149 20 0 EDADMP CC[C@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1C[C@H](C)O ZINC000418667476 446642035 /nfs/dbraw/zinc/64/20/35/446642035.db2.gz MQZDQUVIHOGMPF-QAETUUGQSA-N 2 1 340.512 1.238 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1CC(C)(C)O ZINC000418670055 446642839 /nfs/dbraw/zinc/64/28/39/446642839.db2.gz QJJNRQSUCDPJJK-BZUAXINKSA-N 2 1 340.512 1.238 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418681783 446647306 /nfs/dbraw/zinc/64/73/06/446647306.db2.gz VUFCNXIUKRWJRL-DOTOQJQBSA-N 2 1 334.464 1.175 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000418737145 446660401 /nfs/dbraw/zinc/66/04/01/446660401.db2.gz VHMXGBIMKWONTG-KGLIPLIRSA-N 2 1 339.509 1.652 20 0 EDADMP C[C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000368148144 446669264 /nfs/dbraw/zinc/66/92/64/446669264.db2.gz JRIRIPJGKWVGMI-QAPCUYQASA-N 2 1 342.503 1.199 20 0 EDADMP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000368148144 446669270 /nfs/dbraw/zinc/66/92/70/446669270.db2.gz JRIRIPJGKWVGMI-QAPCUYQASA-N 2 1 342.503 1.199 20 0 EDADMP C[C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000368148144 446669275 /nfs/dbraw/zinc/66/92/75/446669275.db2.gz JRIRIPJGKWVGMI-QAPCUYQASA-N 2 1 342.503 1.199 20 0 EDADMP CCN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418754161 446672223 /nfs/dbraw/zinc/67/22/23/446672223.db2.gz ASRRJKSXCHXRHY-MSOLQXFVSA-N 2 1 346.475 1.281 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418629623 446621277 /nfs/dbraw/zinc/62/12/77/446621277.db2.gz DKRNNVNDISVUPV-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371093024 446625190 /nfs/dbraw/zinc/62/51/90/446625190.db2.gz IERUUDRFHJVLJQ-UHFFFAOYSA-N 2 1 338.540 1.639 20 0 EDADMP COCCOCC[N@H+](C)[C@@H]1CCC[NH+](CCOCCOC)CC1 ZINC000371099833 446627898 /nfs/dbraw/zinc/62/78/98/446627898.db2.gz OPWIENGVHDJZGZ-QGZVFWFLSA-N 2 1 332.485 1.099 20 0 EDADMP COCCOCC[N@@H+](C)[C@@H]1CCC[NH+](CCOCCOC)CC1 ZINC000371099833 446627904 /nfs/dbraw/zinc/62/79/04/446627904.db2.gz OPWIENGVHDJZGZ-QGZVFWFLSA-N 2 1 332.485 1.099 20 0 EDADMP COCCOCC[NH+](C)[C@@H]1CCC[N@H+](CCOCCOC)CC1 ZINC000371099833 446627912 /nfs/dbraw/zinc/62/79/12/446627912.db2.gz OPWIENGVHDJZGZ-QGZVFWFLSA-N 2 1 332.485 1.099 20 0 EDADMP COCCOCC[NH+](C)[C@@H]1CCC[N@@H+](CCOCCOC)CC1 ZINC000371099833 446627919 /nfs/dbraw/zinc/62/79/19/446627919.db2.gz OPWIENGVHDJZGZ-QGZVFWFLSA-N 2 1 332.485 1.099 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418647510 446631788 /nfs/dbraw/zinc/63/17/88/446631788.db2.gz GRCHFWWFZGVEMF-FUHWJXTLSA-N 2 1 348.491 1.395 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000423812667 446702856 /nfs/dbraw/zinc/70/28/56/446702856.db2.gz RBSRRPQVPXFSHQ-LBPRGKRZSA-N 2 1 344.253 1.813 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000423817704 446707309 /nfs/dbraw/zinc/70/73/09/446707309.db2.gz CKCIDLLVWDWRFX-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP CC[C@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000423820223 446710856 /nfs/dbraw/zinc/71/08/56/446710856.db2.gz GSFZVQUWFFPGOZ-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)C3([NH3+])CCC3)CC[N@H+]2C2CC2)c1 ZINC000423828608 446717179 /nfs/dbraw/zinc/71/71/79/446717179.db2.gz OHKHVXSHEDXRCK-IRXDYDNUSA-N 2 1 329.444 1.971 20 0 EDADMP OCc1ccc(C[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000375335794 446729576 /nfs/dbraw/zinc/72/95/76/446729576.db2.gz LZDTZULNTQCLPM-UHFFFAOYSA-N 2 1 333.476 1.019 20 0 EDADMP OCc1ccc(C[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)cc1 ZINC000375335794 446729579 /nfs/dbraw/zinc/72/95/79/446729579.db2.gz LZDTZULNTQCLPM-UHFFFAOYSA-N 2 1 333.476 1.019 20 0 EDADMP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C1C[NH2+]C1 ZINC000368163524 446679678 /nfs/dbraw/zinc/67/96/78/446679678.db2.gz ASQFXUTWRDZRDS-QGZVFWFLSA-N 2 1 339.443 1.796 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000423895644 446748142 /nfs/dbraw/zinc/74/81/42/446748142.db2.gz GCIHUSFZSNTXAS-LAVFITLUSA-N 2 1 331.460 1.126 20 0 EDADMP CCOC(=O)CCCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371342051 446790625 /nfs/dbraw/zinc/79/06/25/446790625.db2.gz UKRUMWGAMVPTAD-DLBZAZTESA-N 2 1 325.497 1.678 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000412051087 446814365 /nfs/dbraw/zinc/81/43/65/446814365.db2.gz VOYZNKAHEMEDRS-CADBVGFASA-N 2 1 345.487 1.498 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)cs1 ZINC000368368234 446814516 /nfs/dbraw/zinc/81/45/16/446814516.db2.gz AIGXVXZWBRKJCL-RDJZCZTQSA-N 2 1 348.516 1.874 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C(=O)OC ZINC000424286533 446865075 /nfs/dbraw/zinc/86/50/75/446865075.db2.gz HEGQDYDSOLNLLF-LZWOXQAQSA-N 2 1 339.480 1.154 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000419035083 446878104 /nfs/dbraw/zinc/87/81/04/446878104.db2.gz YSMVCKNVMJMDPN-IAGOWNOFSA-N 2 1 346.475 1.141 20 0 EDADMP C[N@@H+]([C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000371473189 446878719 /nfs/dbraw/zinc/87/87/19/446878719.db2.gz LXBJHDKPZBSEGF-IHPCNDPISA-N 2 1 329.488 1.745 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000420903459 446880874 /nfs/dbraw/zinc/88/08/74/446880874.db2.gz ATIQWDPTJRQMDW-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000419079754 446911064 /nfs/dbraw/zinc/91/10/64/446911064.db2.gz NTJPHLSFEAYTRS-HUUCEWRRSA-N 2 1 326.485 1.001 20 0 EDADMP C[C@@H](CNC(=O)NCCCC[N@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000454635366 446927591 /nfs/dbraw/zinc/92/75/91/446927591.db2.gz XFKKBBZMWJMQIM-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000454635366 446927595 /nfs/dbraw/zinc/92/75/95/446927595.db2.gz XFKKBBZMWJMQIM-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP COc1ncc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)c(C)n1 ZINC000375618992 446928605 /nfs/dbraw/zinc/92/86/05/446928605.db2.gz BVZXMGGTSAPKAW-CQSZACIVSA-N 2 1 333.480 1.394 20 0 EDADMP COc1ncc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)c(C)n1 ZINC000375618992 446928610 /nfs/dbraw/zinc/92/86/10/446928610.db2.gz BVZXMGGTSAPKAW-CQSZACIVSA-N 2 1 333.480 1.394 20 0 EDADMP C[N@@H+]1CC[C@H]2OCCN(Cc3ccc(C[NH+]4CCOCC4)cc3)[C@@H]2C1 ZINC000420962882 446933072 /nfs/dbraw/zinc/93/30/72/446933072.db2.gz LAVVGDWCSBPGRF-WOJBJXKFSA-N 2 1 345.487 1.424 20 0 EDADMP C[N@H+]1CC[C@H]2OCCN(Cc3ccc(C[NH+]4CCOCC4)cc3)[C@@H]2C1 ZINC000420962882 446933077 /nfs/dbraw/zinc/93/30/77/446933077.db2.gz LAVVGDWCSBPGRF-WOJBJXKFSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)N(C)CC[NH3+] ZINC000419216420 447014080 /nfs/dbraw/zinc/01/40/80/447014080.db2.gz PLHSQACMXYNXRN-HNNXBMFYSA-N 2 1 346.475 1.094 20 0 EDADMP CCN1CCO[C@H](C(=O)NC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000372154630 447020195 /nfs/dbraw/zinc/02/01/95/447020195.db2.gz BBICLRJVUUYEOC-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000372154630 447020201 /nfs/dbraw/zinc/02/02/01/447020201.db2.gz BBICLRJVUUYEOC-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000372154630 447020207 /nfs/dbraw/zinc/02/02/07/447020207.db2.gz BBICLRJVUUYEOC-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000372154630 447020213 /nfs/dbraw/zinc/02/02/13/447020213.db2.gz BBICLRJVUUYEOC-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000372154630 447020218 /nfs/dbraw/zinc/02/02/18/447020218.db2.gz BBICLRJVUUYEOC-NEWSRXKRSA-N 2 1 345.487 1.734 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419172415 446987896 /nfs/dbraw/zinc/98/78/96/446987896.db2.gz QVUUYJQYDQPTBZ-OWCLPIDISA-N 2 1 338.496 1.143 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000368696894 447047323 /nfs/dbraw/zinc/04/73/23/447047323.db2.gz OMPPVZUEBPBXBU-IAGOWNOFSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000419406897 447157646 /nfs/dbraw/zinc/15/76/46/447157646.db2.gz VPEJHLPWHQJKMI-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP COCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000375984742 447193307 /nfs/dbraw/zinc/19/33/07/447193307.db2.gz CRQZHIUNKXEQHG-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP COCCCCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375984742 447193312 /nfs/dbraw/zinc/19/33/12/447193312.db2.gz CRQZHIUNKXEQHG-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc([C@@H](C)O)s3)C2)CC1 ZINC000377616706 447246367 /nfs/dbraw/zinc/24/63/67/447246367.db2.gz QECVSELHRNXYGG-HUUCEWRRSA-N 2 1 338.521 1.797 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc([C@@H](C)O)s3)C2)CC1 ZINC000377616706 447246371 /nfs/dbraw/zinc/24/63/71/447246371.db2.gz QECVSELHRNXYGG-HUUCEWRRSA-N 2 1 338.521 1.797 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000425550852 447225648 /nfs/dbraw/zinc/22/56/48/447225648.db2.gz IVNIESUZAWVNIK-WMZOPIPTSA-N 2 1 349.519 1.820 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000425550852 447225654 /nfs/dbraw/zinc/22/56/54/447225654.db2.gz IVNIESUZAWVNIK-WMZOPIPTSA-N 2 1 349.519 1.820 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455862481 447243975 /nfs/dbraw/zinc/24/39/75/447243975.db2.gz RULPQVIIQZAEEY-KBXCAEBGSA-N 2 1 346.475 1.766 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455862481 447243982 /nfs/dbraw/zinc/24/39/82/447243982.db2.gz RULPQVIIQZAEEY-KBXCAEBGSA-N 2 1 346.475 1.766 20 0 EDADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000495381611 447499055 /nfs/dbraw/zinc/49/90/55/447499055.db2.gz BNKIXEGKISYXRV-RKVPGOIHSA-N 2 1 341.496 1.821 20 0 EDADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000495381611 447499057 /nfs/dbraw/zinc/49/90/57/447499057.db2.gz BNKIXEGKISYXRV-RKVPGOIHSA-N 2 1 341.496 1.821 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390867552 447505417 /nfs/dbraw/zinc/50/54/17/447505417.db2.gz ONMCAPZCYOIEDF-ROUUACIJSA-N 2 1 333.476 1.625 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCc3cscn3)CC2)CC1 ZINC000450553247 447523903 /nfs/dbraw/zinc/52/39/03/447523903.db2.gz JNMNIABYAVAIML-UHFFFAOYSA-N 2 1 336.505 1.562 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCCC[NH+](CC)CC)CC1 ZINC000457426812 447578777 /nfs/dbraw/zinc/57/87/77/447578777.db2.gz GJHQREYJWCOHAX-UHFFFAOYSA-N 2 1 341.544 1.434 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427148626 447552287 /nfs/dbraw/zinc/55/22/87/447552287.db2.gz YPBQBGZMNIZZLR-KSZLIROESA-N 2 1 337.508 1.963 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000398028097 447554228 /nfs/dbraw/zinc/55/42/28/447554228.db2.gz MMDJFDGTMJZSAK-DFQSSKMNSA-N 2 1 349.519 1.426 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398028097 447554234 /nfs/dbraw/zinc/55/42/34/447554234.db2.gz MMDJFDGTMJZSAK-DFQSSKMNSA-N 2 1 349.519 1.426 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398028097 447554242 /nfs/dbraw/zinc/55/42/42/447554242.db2.gz MMDJFDGTMJZSAK-DFQSSKMNSA-N 2 1 349.519 1.426 20 0 EDADMP COCCCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000427723555 447637663 /nfs/dbraw/zinc/63/76/63/447637663.db2.gz YSODUWAMWMNZSP-IYBDPMFKSA-N 2 1 325.497 1.819 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@H]1C1CCOCC1)C[NH+]1CCC2CC1 ZINC000495860428 447609395 /nfs/dbraw/zinc/60/93/95/447609395.db2.gz ZTAVJVIZDYGXPL-IEBWSBKVSA-N 2 1 349.475 1.752 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000457782319 447627098 /nfs/dbraw/zinc/62/70/98/447627098.db2.gz YSWSRBLHRMLAPP-SFHVURJKSA-N 2 1 348.491 1.394 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)[C@@H]1SC ZINC000459412758 447656750 /nfs/dbraw/zinc/65/67/50/447656750.db2.gz RSCOMWVLIPISPC-ZACQAIPSSA-N 2 1 329.554 1.759 20 0 EDADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000457951850 447682927 /nfs/dbraw/zinc/68/29/27/447682927.db2.gz IRENTOSXAXKTLK-YVSFHVDLSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000457951850 447682931 /nfs/dbraw/zinc/68/29/31/447682931.db2.gz IRENTOSXAXKTLK-YVSFHVDLSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457951850 447682935 /nfs/dbraw/zinc/68/29/35/447682935.db2.gz IRENTOSXAXKTLK-YVSFHVDLSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457951850 447682940 /nfs/dbraw/zinc/68/29/40/447682940.db2.gz IRENTOSXAXKTLK-YVSFHVDLSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCCOc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000422640699 447683824 /nfs/dbraw/zinc/68/38/24/447683824.db2.gz VVPSSGQGNCHLMP-ILXRZTDVSA-N 2 1 337.439 1.626 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCCOc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000422640699 447683829 /nfs/dbraw/zinc/68/38/29/447683829.db2.gz VVPSSGQGNCHLMP-ILXRZTDVSA-N 2 1 337.439 1.626 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCCc2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000422642555 447685819 /nfs/dbraw/zinc/68/58/19/447685819.db2.gz ZOWCGYBOIPJNRZ-MCIONIFRSA-N 2 1 339.430 1.929 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCCc2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000422642555 447685824 /nfs/dbraw/zinc/68/58/24/447685824.db2.gz ZOWCGYBOIPJNRZ-MCIONIFRSA-N 2 1 339.430 1.929 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)[NH+]1CCC(C)CC1 ZINC000458055090 447710523 /nfs/dbraw/zinc/71/05/23/447710523.db2.gz VEEDZFYEODCAAU-DLBZAZTESA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1C[NH2+]C1 ZINC000422702506 447720569 /nfs/dbraw/zinc/72/05/69/447720569.db2.gz FKOIBIZCZJROHX-INIZCTEOSA-N 3 1 347.503 1.874 20 0 EDADMP C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1C[NH2+]C1 ZINC000422702506 447720571 /nfs/dbraw/zinc/72/05/71/447720571.db2.gz FKOIBIZCZJROHX-INIZCTEOSA-N 2 1 347.503 1.874 20 0 EDADMP C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1C[NH2+]C1 ZINC000422702506 447720575 /nfs/dbraw/zinc/72/05/75/447720575.db2.gz FKOIBIZCZJROHX-INIZCTEOSA-N 2 1 347.503 1.874 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000416958381 447727956 /nfs/dbraw/zinc/72/79/56/447727956.db2.gz OZHZCXHZCYNDFQ-HOTGVXAUSA-N 2 1 327.517 1.075 20 0 EDADMP CC[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000417004535 447730177 /nfs/dbraw/zinc/73/01/77/447730177.db2.gz CNPDEYIMPJFVMY-ZTFGCOKTSA-N 2 1 330.476 1.954 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417026252 447730626 /nfs/dbraw/zinc/73/06/26/447730626.db2.gz ABFQGQRDANFHKE-BRWVUGGUSA-N 2 1 340.512 1.646 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000458164592 447732969 /nfs/dbraw/zinc/73/29/69/447732969.db2.gz KGBKEPRLMDHOBF-TVFCKZIOSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000458164592 447732976 /nfs/dbraw/zinc/73/29/76/447732976.db2.gz KGBKEPRLMDHOBF-TVFCKZIOSA-N 2 1 339.524 1.968 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000422841311 447766309 /nfs/dbraw/zinc/76/63/09/447766309.db2.gz VRZPROHSOKSNAF-VVLHAWIVSA-N 2 1 325.497 1.770 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2ccnn2)CC[N@@H+]1Cc1ccccc1 ZINC000459690430 447741405 /nfs/dbraw/zinc/74/14/05/447741405.db2.gz FEWJIDKYITVHIK-NXHRZFHOSA-N 2 1 329.448 1.282 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2ccnn2)CC[N@H+]1Cc1ccccc1 ZINC000459690430 447741411 /nfs/dbraw/zinc/74/14/11/447741411.db2.gz FEWJIDKYITVHIK-NXHRZFHOSA-N 2 1 329.448 1.282 20 0 EDADMP N[C@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1cscn1 ZINC000422931008 447774975 /nfs/dbraw/zinc/77/49/75/447774975.db2.gz WMMQLOAPQYBIRD-AWEZNQCLSA-N 2 1 338.477 1.294 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]C2CCN(C3CCC3)CC2)CC[NH2+]CC1 ZINC000422971140 447784773 /nfs/dbraw/zinc/78/47/73/447784773.db2.gz HZNMAQKZCZLRIH-OAHLLOKOSA-N 2 1 337.508 1.914 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COC1C[NH2+]C1 ZINC000431019919 447788938 /nfs/dbraw/zinc/78/89/38/447788938.db2.gz UJKIJPIQDFXHGV-KRWDZBQOSA-N 2 1 331.460 1.345 20 0 EDADMP CC(C)(C)OC(=O)NC[C@](C)(O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000496511944 447799597 /nfs/dbraw/zinc/79/95/97/447799597.db2.gz JCNPKQDJQPXZFI-QAPCUYQASA-N 2 1 341.496 1.680 20 0 EDADMP CC(C)(C)OC(=O)NC[C@](C)(O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000496511944 447799601 /nfs/dbraw/zinc/79/96/01/447799601.db2.gz JCNPKQDJQPXZFI-QAPCUYQASA-N 2 1 341.496 1.680 20 0 EDADMP COC[C@H]1CCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000452039850 447807521 /nfs/dbraw/zinc/80/75/21/447807521.db2.gz PJEDUJGQRDEIPN-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP CC(C)(C)OC(=O)NCCNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000496609026 447832475 /nfs/dbraw/zinc/83/24/75/447832475.db2.gz VIFWVJMHICTJOB-AWEZNQCLSA-N 2 1 339.484 1.642 20 0 EDADMP CN(C[C@@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C(=O)OC(C)(C)C ZINC000497105905 447859013 /nfs/dbraw/zinc/85/90/13/447859013.db2.gz JCGQRUCYWGIKEW-GJZGRUSLSA-N 2 1 329.485 1.488 20 0 EDADMP C[C@@H](CNC(=O)NCCCCN1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000523004685 447868025 /nfs/dbraw/zinc/86/80/25/447868025.db2.gz QOTBBXGFZROMFI-KRWDZBQOSA-N 2 1 339.528 1.045 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000569787831 447888571 /nfs/dbraw/zinc/88/85/71/447888571.db2.gz PAGMOOCMWHGHDC-MRXNPFEDSA-N 2 1 349.479 1.258 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@H+]1C ZINC000490281406 447891908 /nfs/dbraw/zinc/89/19/08/447891908.db2.gz AGVGSTBGHMOYCW-KRWDZBQOSA-N 2 1 337.508 1.820 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1(C)C ZINC000575858921 447913084 /nfs/dbraw/zinc/91/30/84/447913084.db2.gz BNRMGIFCUWBFGU-UHFFFAOYSA-N 2 1 337.430 1.838 20 0 EDADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000524720421 447943429 /nfs/dbraw/zinc/94/34/29/447943429.db2.gz PSNWZXXTUMYEKE-MJGOQNOKSA-N 2 1 344.503 1.433 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000524720421 447943435 /nfs/dbraw/zinc/94/34/35/447943435.db2.gz PSNWZXXTUMYEKE-MJGOQNOKSA-N 2 1 344.503 1.433 20 0 EDADMP Cc1cc(N2CC[C@H]([NH+]3CCC(C[N@@H+](C)C(C)C)CC3)C2=O)n(C)n1 ZINC000524758662 447949705 /nfs/dbraw/zinc/94/97/05/447949705.db2.gz SDXXIJDHKGVWEG-KRWDZBQOSA-N 2 1 347.507 1.886 20 0 EDADMP Cc1cc(N2CC[C@H]([NH+]3CCC(C[N@H+](C)C(C)C)CC3)C2=O)n(C)n1 ZINC000524758662 447949709 /nfs/dbraw/zinc/94/97/09/447949709.db2.gz SDXXIJDHKGVWEG-KRWDZBQOSA-N 2 1 347.507 1.886 20 0 EDADMP CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000576009865 447950706 /nfs/dbraw/zinc/95/07/06/447950706.db2.gz BDUSGIRGAZCPSY-KRWDZBQOSA-N 2 1 325.497 1.819 20 0 EDADMP CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000576009865 447950707 /nfs/dbraw/zinc/95/07/07/447950707.db2.gz BDUSGIRGAZCPSY-KRWDZBQOSA-N 2 1 325.497 1.819 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCc3sc(Cl)cc3C2)C1 ZINC000576040943 447957759 /nfs/dbraw/zinc/95/77/59/447957759.db2.gz ZPLKTIUASSLPHI-NSHDSACASA-N 2 1 327.881 1.957 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)C2)C1 ZINC000496840238 447959049 /nfs/dbraw/zinc/95/90/49/447959049.db2.gz ZZGZTGOGINZAJC-MOPGFXCFSA-N 2 1 348.491 1.278 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)COCc2cccs2)CC1(C)C ZINC000575862905 447915672 /nfs/dbraw/zinc/91/56/72/447915672.db2.gz WORJHKYRGRPWCU-OAHLLOKOSA-N 2 1 341.521 1.241 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000575883347 447921651 /nfs/dbraw/zinc/92/16/51/447921651.db2.gz PIJKEBJJHJMQNH-GFCCVEGCSA-N 2 1 339.403 1.222 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CNC1(c2ccc(F)cc2F)CCC1 ZINC000570289820 447979099 /nfs/dbraw/zinc/97/90/99/447979099.db2.gz RPIBSLMXGSMPJW-AWEZNQCLSA-N 2 1 328.403 1.873 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000525292842 447989338 /nfs/dbraw/zinc/98/93/38/447989338.db2.gz KLVIFXQEKUCYLP-FUHWJXTLSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000525292842 447989346 /nfs/dbraw/zinc/98/93/46/447989346.db2.gz KLVIFXQEKUCYLP-FUHWJXTLSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000525292842 447989350 /nfs/dbraw/zinc/98/93/50/447989350.db2.gz KLVIFXQEKUCYLP-FUHWJXTLSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000525292842 447989358 /nfs/dbraw/zinc/98/93/58/447989358.db2.gz KLVIFXQEKUCYLP-FUHWJXTLSA-N 2 1 331.460 1.345 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000570632379 448038921 /nfs/dbraw/zinc/03/89/21/448038921.db2.gz MEBUPBOMAKRVRM-MSOLQXFVSA-N 2 1 336.476 1.480 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000570912040 448083523 /nfs/dbraw/zinc/08/35/23/448083523.db2.gz CYQBEGZSMYYETQ-GOSISDBHSA-N 2 1 339.528 1.091 20 0 EDADMP CC(C)C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000496982021 448095251 /nfs/dbraw/zinc/09/52/51/448095251.db2.gz VXHHANKXGSWFQN-RHSMWYFYSA-N 2 1 329.485 1.582 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCNC[C@@H]1C(F)F ZINC000576468298 448063464 /nfs/dbraw/zinc/06/34/64/448063464.db2.gz BUDRRXHMCATFCI-HUUCEWRRSA-N 2 1 338.402 1.359 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000576468298 448063469 /nfs/dbraw/zinc/06/34/69/448063469.db2.gz BUDRRXHMCATFCI-HUUCEWRRSA-N 2 1 338.402 1.359 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000512430738 448155785 /nfs/dbraw/zinc/15/57/85/448155785.db2.gz UIQADMYDCVPAEU-BRWVUGGUSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576730012 448128075 /nfs/dbraw/zinc/12/80/75/448128075.db2.gz UVHZQZRLODSYHH-CGTJXYLNSA-N 2 1 346.475 1.185 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000571303910 448134288 /nfs/dbraw/zinc/13/42/88/448134288.db2.gz HFWRDONXTVGJAP-NJAFHUGGSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000531964781 448176604 /nfs/dbraw/zinc/17/66/04/448176604.db2.gz IXMMEMKPGHVTLV-ICLOAJAWSA-N 2 1 344.459 1.560 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000514949879 448233414 /nfs/dbraw/zinc/23/34/14/448233414.db2.gz MRJZZXSUEZZQRN-SFHVURJKSA-N 2 1 331.460 1.299 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000514949879 448233419 /nfs/dbraw/zinc/23/34/19/448233419.db2.gz MRJZZXSUEZZQRN-SFHVURJKSA-N 2 1 331.460 1.299 20 0 EDADMP Cc1ccc(C(=O)N2CCC([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000514856012 448215079 /nfs/dbraw/zinc/21/50/79/448215079.db2.gz LTSBFOVJDYBLKG-IBGZPJMESA-N 2 1 345.487 1.644 20 0 EDADMP Cc1ccc(C(=O)N2CCC([NH2+]C[C@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000514856012 448215088 /nfs/dbraw/zinc/21/50/88/448215088.db2.gz LTSBFOVJDYBLKG-IBGZPJMESA-N 2 1 345.487 1.644 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000532538431 448272047 /nfs/dbraw/zinc/27/20/47/448272047.db2.gz WTKCPKHNLXXRBR-UHFFFAOYSA-N 2 1 338.496 1.807 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000515347735 448295095 /nfs/dbraw/zinc/29/50/95/448295095.db2.gz MIMLWZWLRQCDAH-FJIDUMEYSA-N 2 1 327.513 1.311 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccccn1)CC2 ZINC000515658267 448340506 /nfs/dbraw/zinc/34/05/06/448340506.db2.gz RIDMZUFGFPELMM-MRXNPFEDSA-N 2 1 341.459 1.739 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000572344768 448351758 /nfs/dbraw/zinc/35/17/58/448351758.db2.gz WCALJURNGKVDCX-CALCHBBNSA-N 2 1 344.459 1.244 20 0 EDADMP C[NH2+]CCSCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000582843476 448357234 /nfs/dbraw/zinc/35/72/34/448357234.db2.gz FWSIWLFFBTTWAX-UHFFFAOYSA-N 2 1 335.517 1.982 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000591453280 448368896 /nfs/dbraw/zinc/36/88/96/448368896.db2.gz DUQDMLWTDCAWQA-HOTGVXAUSA-N 2 1 344.459 1.274 20 0 EDADMP C[NH+]1CC[C@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000591453280 448368900 /nfs/dbraw/zinc/36/89/00/448368900.db2.gz DUQDMLWTDCAWQA-HOTGVXAUSA-N 2 1 344.459 1.274 20 0 EDADMP C[NH+]1CC[C@H](C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000591453280 448368906 /nfs/dbraw/zinc/36/89/06/448368906.db2.gz DUQDMLWTDCAWQA-HOTGVXAUSA-N 2 1 344.459 1.274 20 0 EDADMP CCN1CCOC[C@@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccncc1 ZINC000572249241 448327525 /nfs/dbraw/zinc/32/75/25/448327525.db2.gz ADIZXZKRLXMIHP-QGZVFWFLSA-N 2 1 334.464 1.083 20 0 EDADMP CCC[C@@](C)(CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000572255632 448328214 /nfs/dbraw/zinc/32/82/14/448328214.db2.gz PZMOJXFRUWDQSP-IBGZPJMESA-N 2 1 339.524 1.850 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000582972308 448393345 /nfs/dbraw/zinc/39/33/45/448393345.db2.gz NAAOMPNIZNIWDL-ZFWWWQNUSA-N 2 1 325.403 1.997 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000582972308 448393352 /nfs/dbraw/zinc/39/33/52/448393352.db2.gz NAAOMPNIZNIWDL-ZFWWWQNUSA-N 2 1 325.403 1.997 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NC[C@@H]1Cc3ccccc3O1)CC[NH2+]CC2 ZINC000577857462 448404631 /nfs/dbraw/zinc/40/46/31/448404631.db2.gz IUHROKHDYIZQKG-WBVHZDCISA-N 2 1 343.471 1.570 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000516070447 448375558 /nfs/dbraw/zinc/37/55/58/448375558.db2.gz FBHKALKYTHIGAC-LMSBXDPUSA-N 2 1 330.476 1.796 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000577963016 448427871 /nfs/dbraw/zinc/42/78/71/448427871.db2.gz MBUGKBNQUXVAMN-SFHVURJKSA-N 2 1 333.476 1.367 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000578122264 448465855 /nfs/dbraw/zinc/46/58/55/448465855.db2.gz LTYFDZLMSOMMDG-GVDBMIGSSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000572840025 448476704 /nfs/dbraw/zinc/47/67/04/448476704.db2.gz JDCBTCMGDHNIGZ-QLFBSQMISA-N 2 1 334.468 1.104 20 0 EDADMP COc1cccc(NC(=O)C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000516858067 448483373 /nfs/dbraw/zinc/48/33/73/448483373.db2.gz ZEMGRLNKQCZDFI-MAUKXSAKSA-N 2 1 347.459 1.852 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000572858011 448483940 /nfs/dbraw/zinc/48/39/40/448483940.db2.gz AIHDEXKQXMUEEO-INMHGKMJSA-N 2 1 346.475 1.869 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528339613 448491356 /nfs/dbraw/zinc/49/13/56/448491356.db2.gz XYAQGJDPKNICHD-TXTZMMAHSA-N 2 1 339.524 1.920 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCN(C4CCCCC4)C3=O)C2)CC1 ZINC000528374928 448505038 /nfs/dbraw/zinc/50/50/38/448505038.db2.gz ABVXWSKFCVDROK-RTBURBONSA-N 2 1 348.535 1.632 20 0 EDADMP CCN1CCC([NH+]2CCC(C(=O)NC[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000566571163 448511681 /nfs/dbraw/zinc/51/16/81/448511681.db2.gz ZPFSZOPXGDUWKZ-MRXNPFEDSA-N 2 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000566571163 448511685 /nfs/dbraw/zinc/51/16/85/448511685.db2.gz ZPFSZOPXGDUWKZ-MRXNPFEDSA-N 3 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000566571163 448511691 /nfs/dbraw/zinc/51/16/91/448511691.db2.gz ZPFSZOPXGDUWKZ-MRXNPFEDSA-N 3 1 336.524 1.251 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000517225555 448556520 /nfs/dbraw/zinc/55/65/20/448556520.db2.gz NTDUHIUQADEAMV-LMSBXDPUSA-N 2 1 330.476 1.804 20 0 EDADMP Cc1cc(CNC(=O)NC[C@H]2CCC[NH2+]C2)cc(N2CCCC2)[nH+]1 ZINC000573095409 448542137 /nfs/dbraw/zinc/54/21/37/448542137.db2.gz WSYODFAUBFEPQA-HNNXBMFYSA-N 2 1 331.464 1.789 20 0 EDADMP C[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000573111706 448546605 /nfs/dbraw/zinc/54/66/05/448546605.db2.gz YMWXZIISJDRZFN-UHFFFAOYSA-N 2 1 344.459 1.826 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccc(OCC(F)F)cc3)CCN2C1=O ZINC000573339530 448604633 /nfs/dbraw/zinc/60/46/33/448604633.db2.gz NXHGSDMYCDVHHN-JSGCOSHPSA-N 2 1 325.359 1.074 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)CCN2C1=O ZINC000573339530 448604635 /nfs/dbraw/zinc/60/46/35/448604635.db2.gz NXHGSDMYCDVHHN-JSGCOSHPSA-N 2 1 325.359 1.074 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573375243 448612386 /nfs/dbraw/zinc/61/23/86/448612386.db2.gz TUIUGMZTQWNWNJ-XMTFNYHQSA-N 2 1 331.460 1.520 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573375243 448612390 /nfs/dbraw/zinc/61/23/90/448612390.db2.gz TUIUGMZTQWNWNJ-XMTFNYHQSA-N 2 1 331.460 1.520 20 0 EDADMP CC(C)[NH2+]CCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000567264952 448654124 /nfs/dbraw/zinc/65/41/24/448654124.db2.gz UMUIPCOTTFPCDX-MRXNPFEDSA-N 2 1 346.475 1.711 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000567268560 448655400 /nfs/dbraw/zinc/65/54/00/448655400.db2.gz GPYIEVGLGYWJIT-IRXDYDNUSA-N 2 1 330.476 1.798 20 0 EDADMP O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000518214977 448655821 /nfs/dbraw/zinc/65/58/21/448655821.db2.gz ILSVBGYQNTWHCV-OALUTQOASA-N 2 1 345.487 1.472 20 0 EDADMP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000518214977 448655827 /nfs/dbraw/zinc/65/58/27/448655827.db2.gz ILSVBGYQNTWHCV-OALUTQOASA-N 2 1 345.487 1.472 20 0 EDADMP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518214977 448655832 /nfs/dbraw/zinc/65/58/32/448655832.db2.gz ILSVBGYQNTWHCV-OALUTQOASA-N 2 1 345.487 1.472 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C[C@H]1c1ccccc1F ZINC000578890524 448663579 /nfs/dbraw/zinc/66/35/79/448663579.db2.gz QQFYHHPHIMGYPO-CORIIIEPSA-N 2 1 343.406 1.193 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000573687768 448690328 /nfs/dbraw/zinc/69/03/28/448690328.db2.gz KGOWWGGOIPWMAY-FMKPAKJESA-N 2 1 338.521 1.526 20 0 EDADMP COc1ccc([C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C2CC2)cn1 ZINC000528851351 448695510 /nfs/dbraw/zinc/69/55/10/448695510.db2.gz LZWSNLUFDOKVCN-SFHVURJKSA-N 2 1 332.448 1.295 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000567500698 448704474 /nfs/dbraw/zinc/70/44/74/448704474.db2.gz FDEFWSUGDALQCD-QZTJIDSGSA-N 2 1 330.476 1.894 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH2+][C@H]3C)C2)cc(OC)c1 ZINC000567818284 448767290 /nfs/dbraw/zinc/76/72/90/448767290.db2.gz OCFIEKYXJLTZML-DHSIGJKJSA-N 2 1 347.459 1.392 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH2+][C@H]3C)C2)cc(OC)c1 ZINC000567818284 448767295 /nfs/dbraw/zinc/76/72/95/448767295.db2.gz OCFIEKYXJLTZML-DHSIGJKJSA-N 2 1 347.459 1.392 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000573962364 448759405 /nfs/dbraw/zinc/75/94/05/448759405.db2.gz DGGQPVXWQVLMJJ-WMZOPIPTSA-N 2 1 338.540 1.674 20 0 EDADMP C[C@H]1[C@H](NC(=O)NC2(C[NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000529322715 448823520 /nfs/dbraw/zinc/82/35/20/448823520.db2.gz CBZHYXMMTBCOKF-DOTOQJQBSA-N 2 1 346.475 1.457 20 0 EDADMP CCc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c(C)nn1 ZINC000546795607 448850166 /nfs/dbraw/zinc/85/01/66/448850166.db2.gz YRSWCLQXOSKBET-QGZVFWFLSA-N 2 1 347.507 1.836 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000529395336 448855853 /nfs/dbraw/zinc/85/58/53/448855853.db2.gz HKSIKFZIQCZIEA-UHFFFAOYSA-N 2 1 331.420 1.233 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000574355767 448853508 /nfs/dbraw/zinc/85/35/08/448853508.db2.gz GKMHKMZMYXNQKT-FXAWDEMLSA-N 2 1 346.519 1.822 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](CO)C(C)C)CC2)CC1 ZINC000579728660 448867250 /nfs/dbraw/zinc/86/72/50/448867250.db2.gz BMUROQQKEABUIN-KRWDZBQOSA-N 2 1 339.524 1.563 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NCC3CC[NH2+]CC3)cc2F)CC1 ZINC000568509096 448881407 /nfs/dbraw/zinc/88/14/07/448881407.db2.gz BGXDKNPWGDXZJG-UHFFFAOYSA-N 2 1 348.466 1.697 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC[N@H+]1CCOC ZINC000579715255 448861727 /nfs/dbraw/zinc/86/17/27/448861727.db2.gz VKOQVDLKKZBMJU-IEBWSBKVSA-N 2 1 345.487 1.833 20 0 EDADMP [NH3+]C1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000568856213 448926711 /nfs/dbraw/zinc/92/67/11/448926711.db2.gz RFMXMKGPAHSBNG-SFHVURJKSA-N 2 1 346.475 1.410 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000569103472 448962156 /nfs/dbraw/zinc/96/21/56/448962156.db2.gz INKYSFRAOCEDFX-YQQAZPJKSA-N 2 1 346.475 1.009 20 0 EDADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(S(C)(=O)=O)cc2)CCCO1 ZINC000574910134 448987376 /nfs/dbraw/zinc/98/73/76/448987376.db2.gz OAMQEESLNVKDLA-OAHLLOKOSA-N 2 1 340.489 1.681 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(S(C)(=O)=O)cc2)CCCO1 ZINC000574910134 448987379 /nfs/dbraw/zinc/98/73/79/448987379.db2.gz OAMQEESLNVKDLA-OAHLLOKOSA-N 2 1 340.489 1.681 20 0 EDADMP Cc1cccn2cc(CC(=O)N3CC[N@H+](CC(C)(C)O)C[C@@H]3C)nc12 ZINC000548050732 448977035 /nfs/dbraw/zinc/97/70/35/448977035.db2.gz ZCVURYRPALUSEY-HNNXBMFYSA-N 2 1 344.459 1.489 20 0 EDADMP O[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CC(F)(F)F ZINC000521614310 449001332 /nfs/dbraw/zinc/00/13/32/449001332.db2.gz HSBREDJGXSPXOD-LSDHHAIUSA-N 2 1 332.366 1.656 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000569353053 449010321 /nfs/dbraw/zinc/01/03/21/449010321.db2.gz GMLCTNQVPWFVPW-KDOFPFPSSA-N 2 1 347.459 1.625 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1(COC)CC1 ZINC000582183037 449031927 /nfs/dbraw/zinc/03/19/27/449031927.db2.gz YOZAVPWZMBZHNJ-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)c1 ZINC000575355549 449084290 /nfs/dbraw/zinc/08/42/90/449084290.db2.gz XNJXSEBVHCZESD-DLBZAZTESA-N 2 1 343.475 1.610 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000569578060 449048454 /nfs/dbraw/zinc/04/84/54/449048454.db2.gz GZSCRUKNFPJQOA-HYVNUMGLSA-N 2 1 332.448 1.019 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595721004 449131622 /nfs/dbraw/zinc/13/16/22/449131622.db2.gz TYXBOYJLXBFTOC-RDTXWAMCSA-N 2 1 335.448 1.643 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595721004 449131624 /nfs/dbraw/zinc/13/16/24/449131624.db2.gz TYXBOYJLXBFTOC-RDTXWAMCSA-N 2 1 335.448 1.643 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000601966561 449249983 /nfs/dbraw/zinc/24/99/83/449249983.db2.gz RNEWACGZVVLCNB-WSTZPKSXSA-N 2 1 346.471 1.945 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000601966561 449249990 /nfs/dbraw/zinc/24/99/90/449249990.db2.gz RNEWACGZVVLCNB-WSTZPKSXSA-N 2 1 346.471 1.945 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000617012626 449432393 /nfs/dbraw/zinc/43/23/93/449432393.db2.gz FDJPEVUTFRGKPY-FXAWDEMLSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000617012626 449432398 /nfs/dbraw/zinc/43/23/98/449432398.db2.gz FDJPEVUTFRGKPY-FXAWDEMLSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000617012626 449432402 /nfs/dbraw/zinc/43/24/02/449432402.db2.gz FDJPEVUTFRGKPY-FXAWDEMLSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000606625557 449491905 /nfs/dbraw/zinc/49/19/05/449491905.db2.gz RPXUXQPEBFLVRN-WBVHZDCISA-N 2 1 340.512 1.373 20 0 EDADMP CN(CCCC[NH+](C)C)C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000607033016 449562511 /nfs/dbraw/zinc/56/25/11/449562511.db2.gz IRPGQCAADAYCNC-LJQANCHMSA-N 2 1 346.519 1.775 20 0 EDADMP COC(=O)c1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(C)o1 ZINC000594605254 449590880 /nfs/dbraw/zinc/59/08/80/449590880.db2.gz IRIRTEAGWSWZID-UHFFFAOYSA-N 2 1 347.415 2.000 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(N2CCCC2)nc1 ZINC000617504921 449649304 /nfs/dbraw/zinc/64/93/04/449649304.db2.gz PJCPNJLLOLTYLE-INIZCTEOSA-N 2 1 347.507 1.684 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(N2CCCC2)nc1 ZINC000617504921 449649307 /nfs/dbraw/zinc/64/93/07/449649307.db2.gz PJCPNJLLOLTYLE-INIZCTEOSA-N 2 1 347.507 1.684 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(N2CCCC2)nn1 ZINC000617505032 449649983 /nfs/dbraw/zinc/64/99/83/449649983.db2.gz UEOXNAGKNZVNST-HNNXBMFYSA-N 2 1 348.495 1.079 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(N2CCCC2)nn1 ZINC000617505032 449649989 /nfs/dbraw/zinc/64/99/89/449649989.db2.gz UEOXNAGKNZVNST-HNNXBMFYSA-N 2 1 348.495 1.079 20 0 EDADMP COC(=O)CCN1CCC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1=O ZINC000594728060 449650650 /nfs/dbraw/zinc/65/06/50/449650650.db2.gz GBAQULXDSJFJBD-HNNXBMFYSA-N 2 1 325.453 1.003 20 0 EDADMP CCc1noc2ncc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc12 ZINC000617505171 449651709 /nfs/dbraw/zinc/65/17/09/449651709.db2.gz XEOPGZLEGCNCDK-ZDUSSCGKSA-N 2 1 347.463 1.787 20 0 EDADMP CCc1noc2ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc12 ZINC000617505171 449651714 /nfs/dbraw/zinc/65/17/14/449651714.db2.gz XEOPGZLEGCNCDK-ZDUSSCGKSA-N 2 1 347.463 1.787 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(F)c(F)c1 ZINC000617506221 449652889 /nfs/dbraw/zinc/65/28/89/449652889.db2.gz FZQMVIAAJHSHCR-ZDUSSCGKSA-N 2 1 327.419 1.896 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(F)c(F)c1 ZINC000617506221 449652895 /nfs/dbraw/zinc/65/28/95/449652895.db2.gz FZQMVIAAJHSHCR-ZDUSSCGKSA-N 2 1 327.419 1.896 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CN1Cc2ccccc2C1=O ZINC000617505973 449654174 /nfs/dbraw/zinc/65/41/74/449654174.db2.gz WWMRARIPSIEKLE-HNNXBMFYSA-N 2 1 346.475 1.031 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CN1Cc2ccccc2C1=O ZINC000617505973 449654178 /nfs/dbraw/zinc/65/41/78/449654178.db2.gz WWMRARIPSIEKLE-HNNXBMFYSA-N 2 1 346.475 1.031 20 0 EDADMP CCc1csc(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000617506959 449656904 /nfs/dbraw/zinc/65/69/04/449656904.db2.gz DNGVCMUSJCMDKL-ZDUSSCGKSA-N 2 1 326.510 1.636 20 0 EDADMP CCc1csc(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617506959 449656911 /nfs/dbraw/zinc/65/69/11/449656911.db2.gz DNGVCMUSJCMDKL-ZDUSSCGKSA-N 2 1 326.510 1.636 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)CCN2C1=O ZINC000594737024 449658431 /nfs/dbraw/zinc/65/84/31/449658431.db2.gz VZOGCUZXWDHGOM-TZMCWYRMSA-N 2 1 343.349 1.372 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)CCN2C1=O ZINC000594737024 449658439 /nfs/dbraw/zinc/65/84/39/449658439.db2.gz VZOGCUZXWDHGOM-TZMCWYRMSA-N 2 1 343.349 1.372 20 0 EDADMP CC(C)[C@@H](C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[NH+](C)C ZINC000617700448 449745143 /nfs/dbraw/zinc/74/51/43/449745143.db2.gz DZPINNLOHRVTIO-ROUUACIJSA-N 2 1 333.476 1.456 20 0 EDADMP CS[C@@H]1CN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH+](C)C ZINC000602800828 449819904 /nfs/dbraw/zinc/81/99/04/449819904.db2.gz VQAJQKNAHDBGEV-QRVBRYPASA-N 2 1 349.544 1.601 20 0 EDADMP COC(=O)[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1C1CC1 ZINC000597159124 449844112 /nfs/dbraw/zinc/84/41/12/449844112.db2.gz YPFRPJYDHPHDRB-DLBZAZTESA-N 2 1 326.400 1.898 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1C1CC1 ZINC000597159124 449844118 /nfs/dbraw/zinc/84/41/18/449844118.db2.gz YPFRPJYDHPHDRB-DLBZAZTESA-N 2 1 326.400 1.898 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)NC(=O)Nc3ccccc3)C2)CC1 ZINC000602876137 449884677 /nfs/dbraw/zinc/88/46/77/449884677.db2.gz FCNQVFLZCKWVFA-UHFFFAOYSA-N 2 1 330.432 1.752 20 0 EDADMP COC(=O)[C@@H]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000602901263 449907055 /nfs/dbraw/zinc/90/70/55/449907055.db2.gz AHZFMOGVLMAXPJ-ILZDJORESA-N 2 1 346.471 1.754 20 0 EDADMP COC(=O)[C@@H]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000602901263 449907056 /nfs/dbraw/zinc/90/70/56/449907056.db2.gz AHZFMOGVLMAXPJ-ILZDJORESA-N 2 1 346.471 1.754 20 0 EDADMP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000612978156 449968773 /nfs/dbraw/zinc/96/87/73/449968773.db2.gz SSMYHQQIUMMYLH-PMPSAXMXSA-N 2 1 336.480 1.071 20 0 EDADMP C[C@H](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@H]1CCCO1 ZINC000613005119 449980112 /nfs/dbraw/zinc/98/01/12/449980112.db2.gz KMHPHJKMFWHTPP-BSLJZLGVSA-N 2 1 349.519 1.961 20 0 EDADMP Cc1nnc2n1C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000609260082 449990743 /nfs/dbraw/zinc/99/07/43/449990743.db2.gz INKRDMBDFZXNAP-ROUUACIJSA-N 2 1 343.475 1.231 20 0 EDADMP Cc1nnc2n1C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC000609260082 449990747 /nfs/dbraw/zinc/99/07/47/449990747.db2.gz INKRDMBDFZXNAP-ROUUACIJSA-N 2 1 343.475 1.231 20 0 EDADMP C[NH+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000615262475 450024616 /nfs/dbraw/zinc/02/46/16/450024616.db2.gz GHDIKWHINPCBOO-BHIYHBOVSA-N 2 1 349.519 1.963 20 0 EDADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613208682 450081327 /nfs/dbraw/zinc/08/13/27/450081327.db2.gz DUYAVTPSYYRRGQ-SRVKXCTJSA-N 2 1 331.243 1.884 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC000613522039 450210835 /nfs/dbraw/zinc/21/08/35/450210835.db2.gz HYBVNNNQERLVPS-ICSRJNTNSA-N 2 1 345.487 1.124 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000613522039 450210840 /nfs/dbraw/zinc/21/08/40/450210840.db2.gz HYBVNNNQERLVPS-ICSRJNTNSA-N 2 1 345.487 1.124 20 0 EDADMP C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000613522039 450210844 /nfs/dbraw/zinc/21/08/44/450210844.db2.gz HYBVNNNQERLVPS-ICSRJNTNSA-N 2 1 345.487 1.124 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NCCC[NH+](C)C)cc1 ZINC000623366691 450506936 /nfs/dbraw/zinc/50/69/36/450506936.db2.gz DPNPGBLIUYSCSB-INIZCTEOSA-N 2 1 334.464 1.520 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)NCCC[NH+](C)C)cc1 ZINC000623366691 450506940 /nfs/dbraw/zinc/50/69/40/450506940.db2.gz DPNPGBLIUYSCSB-INIZCTEOSA-N 2 1 334.464 1.520 20 0 EDADMP C[C@H](c1ccc(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1)[NH+]1CCOCC1 ZINC000625859930 450523217 /nfs/dbraw/zinc/52/32/17/450523217.db2.gz HUDDJXBALSBIKQ-JJRVBVJISA-N 2 1 332.448 1.952 20 0 EDADMP Cn1ccnc1CN1CCC[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1=O ZINC000623488700 450530468 /nfs/dbraw/zinc/53/04/68/450530468.db2.gz AIRQFELOVGFXDG-GJZGRUSLSA-N 3 1 333.480 1.374 20 0 EDADMP Cn1ccnc1CN1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623488700 450530469 /nfs/dbraw/zinc/53/04/69/450530469.db2.gz AIRQFELOVGFXDG-GJZGRUSLSA-N 2 1 333.480 1.374 20 0 EDADMP Cn1ccnc1CN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1=O ZINC000623488700 450530471 /nfs/dbraw/zinc/53/04/71/450530471.db2.gz AIRQFELOVGFXDG-GJZGRUSLSA-N 2 1 333.480 1.374 20 0 EDADMP Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)c(N2CCCC2)n1 ZINC000623873036 450621945 /nfs/dbraw/zinc/62/19/45/450621945.db2.gz WRHSKEFYBSWPBA-MRXNPFEDSA-N 2 1 331.464 1.884 20 0 EDADMP Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)c(N2CCCC2)[nH+]1 ZINC000623873036 450621957 /nfs/dbraw/zinc/62/19/57/450621957.db2.gz WRHSKEFYBSWPBA-MRXNPFEDSA-N 2 1 331.464 1.884 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000627310819 450639866 /nfs/dbraw/zinc/63/98/66/450639866.db2.gz DAMJIUQZYYBGFX-YOEHRIQHSA-N 2 1 346.475 1.011 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)C[NH2+]1 ZINC000627363218 450676636 /nfs/dbraw/zinc/67/66/36/450676636.db2.gz JBVPWTFBVBMXRT-BZUAXINKSA-N 2 1 338.496 1.014 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CCCOC)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000633146145 450710341 /nfs/dbraw/zinc/71/03/41/450710341.db2.gz UOTAMZDEDMITFC-DLBZAZTESA-N 2 1 325.497 1.676 20 0 EDADMP O[C@@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000629560321 450735837 /nfs/dbraw/zinc/73/58/37/450735837.db2.gz QWMFOVBLQSZFAY-PMACEKPBSA-N 2 1 331.504 1.597 20 0 EDADMP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842345 450811708 /nfs/dbraw/zinc/81/17/08/450811708.db2.gz ZBNRSGOVRPQBNN-IJEWVQPXSA-N 2 1 347.459 1.032 20 0 EDADMP [NH3+]Cc1cn([C@H]2CC[N@@H+](CCc3nsc4ccccc43)C2)nn1 ZINC000631844794 450814578 /nfs/dbraw/zinc/81/45/78/450814578.db2.gz MOFFHTOQNMQSFI-ZDUSSCGKSA-N 2 1 328.445 1.836 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621653193 450817503 /nfs/dbraw/zinc/81/75/03/450817503.db2.gz ROEZMJDVBAZXAJ-HNNXBMFYSA-N 3 1 331.464 1.552 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000635267797 450796536 /nfs/dbraw/zinc/79/65/36/450796536.db2.gz UVLAOEBXJIZAKD-AWEZNQCLSA-N 2 1 332.448 1.258 20 0 EDADMP Cn1c2cc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)ccc2oc1=O ZINC000631828846 450800773 /nfs/dbraw/zinc/80/07/73/450800773.db2.gz AATZKNQIHPMYNQ-DAYGRLMNSA-N 2 1 345.443 1.850 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC000627649284 450867120 /nfs/dbraw/zinc/86/71/20/450867120.db2.gz QQMIMBVJOPHSBU-INDMIFKZSA-N 2 1 327.472 1.917 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631962208 450919536 /nfs/dbraw/zinc/91/95/36/450919536.db2.gz FNSRLPWIXPKWLK-MRXNPFEDSA-N 2 1 331.526 1.656 20 0 EDADMP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C[N@@H+](C)C3CCC3)nc2)C1 ZINC000629974779 450929304 /nfs/dbraw/zinc/92/93/04/450929304.db2.gz NBOBJOVVNBDDRO-MRXNPFEDSA-N 2 1 331.464 1.645 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000635492186 450987685 /nfs/dbraw/zinc/98/76/85/450987685.db2.gz VULYSSUHSZXICG-MJGOQNOKSA-N 2 1 344.503 1.433 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000632062690 451010158 /nfs/dbraw/zinc/01/01/58/451010158.db2.gz HLENDAZJYFVMGP-JKSUJKDBSA-N 2 1 325.497 1.534 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000632062690 451010163 /nfs/dbraw/zinc/01/01/63/451010163.db2.gz HLENDAZJYFVMGP-JKSUJKDBSA-N 2 1 325.497 1.534 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC[C@H]1C(F)(F)F ZINC000626939872 451021651 /nfs/dbraw/zinc/02/16/51/451021651.db2.gz DPLJUWVESALEGF-SYQHCUMBSA-N 2 1 348.413 1.782 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)[N@@H+](C)C1CC1 ZINC000626970176 451041042 /nfs/dbraw/zinc/04/10/42/451041042.db2.gz KGSRVONJEPESAW-WZRBSPASSA-N 2 1 336.402 1.638 20 0 EDADMP COCCOCC[N@H+](C)CCC(=O)N1CC[NH+](C)Cc2ccccc21 ZINC000635499049 450993573 /nfs/dbraw/zinc/99/35/73/450993573.db2.gz QETYOXAGJHDKPB-UHFFFAOYSA-N 2 1 349.475 1.450 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH+](C)Cc2ccccc21 ZINC000635499049 450993577 /nfs/dbraw/zinc/99/35/77/450993577.db2.gz QETYOXAGJHDKPB-UHFFFAOYSA-N 2 1 349.475 1.450 20 0 EDADMP COCCOCC[NH+](C)CCC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000635499049 450993583 /nfs/dbraw/zinc/99/35/83/450993583.db2.gz QETYOXAGJHDKPB-UHFFFAOYSA-N 2 1 349.475 1.450 20 0 EDADMP COCCOCC[NH+](C)CCC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000635499049 450993588 /nfs/dbraw/zinc/99/35/88/450993588.db2.gz QETYOXAGJHDKPB-UHFFFAOYSA-N 2 1 349.475 1.450 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000626993972 451059827 /nfs/dbraw/zinc/05/98/27/451059827.db2.gz SGRRBIUKRGGACQ-SJLPKXTDSA-N 2 1 348.491 1.432 20 0 EDADMP CC[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626999787 451065610 /nfs/dbraw/zinc/06/56/10/451065610.db2.gz DLJXCKSDSRJTPK-KURKYZTESA-N 2 1 346.475 1.327 20 0 EDADMP CC[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626999787 451065614 /nfs/dbraw/zinc/06/56/14/451065614.db2.gz DLJXCKSDSRJTPK-KURKYZTESA-N 2 1 346.475 1.327 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000627001873 451067450 /nfs/dbraw/zinc/06/74/50/451067450.db2.gz NLAVJHPJKMWHLX-MRXNPFEDSA-N 2 1 328.501 1.232 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn1 ZINC000632160066 451080557 /nfs/dbraw/zinc/08/05/57/451080557.db2.gz SYZWSLYRWXIMIQ-MSOLQXFVSA-N 2 1 341.459 1.620 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCCO1 ZINC000627020661 451085530 /nfs/dbraw/zinc/08/55/30/451085530.db2.gz KGRAAFIRGSYFCV-RYQLBKOJSA-N 2 1 338.496 1.128 20 0 EDADMP C[NH2+]CCOCCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000626978811 451047705 /nfs/dbraw/zinc/04/77/05/451047705.db2.gz LAUFZJINSYCTFY-KRWDZBQOSA-N 2 1 334.464 1.186 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000627178210 451167718 /nfs/dbraw/zinc/16/77/18/451167718.db2.gz RCFJZPGZTGWTIJ-UHFFFAOYSA-N 2 1 348.491 1.448 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[NH2+]1 ZINC000627204633 451185699 /nfs/dbraw/zinc/18/56/99/451185699.db2.gz XWHKIDQYSVVISI-OQIJWPOYSA-N 2 1 342.487 1.900 20 0 EDADMP CCN(C(=O)NCCOCCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627216902 451191686 /nfs/dbraw/zinc/19/16/86/451191686.db2.gz XHDAPBDFAQLFFB-SFHVURJKSA-N 2 1 348.491 1.658 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000635754023 451221512 /nfs/dbraw/zinc/22/15/12/451221512.db2.gz UDRZKNFEXNMTOO-SFHVURJKSA-N 2 1 339.524 1.925 20 0 EDADMP COCC[NH+](C)CCCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635754023 451221513 /nfs/dbraw/zinc/22/15/13/451221513.db2.gz UDRZKNFEXNMTOO-SFHVURJKSA-N 2 1 339.524 1.925 20 0 EDADMP COCC[NH+](C)CCCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635754023 451221514 /nfs/dbraw/zinc/22/15/14/451221514.db2.gz UDRZKNFEXNMTOO-SFHVURJKSA-N 2 1 339.524 1.925 20 0 EDADMP [NH3+]Cc1ncc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000638117596 451286346 /nfs/dbraw/zinc/28/63/46/451286346.db2.gz MRYFWJBUEXQKPC-INIZCTEOSA-N 2 1 325.416 1.330 20 0 EDADMP C[N@@H+](CCn1cc(Cn2cc(C[NH3+])cn2)nn1)Cc1cccc(F)c1 ZINC000630589290 451265844 /nfs/dbraw/zinc/26/58/44/451265844.db2.gz FDWHDLSMXXDVBD-UHFFFAOYSA-N 2 1 343.410 1.253 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3nc4ccccc4o3)nn2)CC1 ZINC000630589210 451266774 /nfs/dbraw/zinc/26/67/74/451266774.db2.gz PJDLQUXAVSRVSM-UHFFFAOYSA-N 2 1 326.404 1.433 20 0 EDADMP COc1ccc(-c2cn(CC[N@H+](C)CCC[NH+](C)C)nn2)c(F)c1 ZINC000630609807 451274756 /nfs/dbraw/zinc/27/47/56/451274756.db2.gz DXCJZZMVRNJWKV-UHFFFAOYSA-N 2 1 335.427 1.976 20 0 EDADMP COc1ccc(-c2cn(CC[N@@H+](C)CCC[NH+](C)C)nn2)c(F)c1 ZINC000630609807 451274758 /nfs/dbraw/zinc/27/47/58/451274758.db2.gz DXCJZZMVRNJWKV-UHFFFAOYSA-N 2 1 335.427 1.976 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000635853548 451302465 /nfs/dbraw/zinc/30/24/65/451302465.db2.gz ISLLZVULFFAPSI-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000635853548 451302469 /nfs/dbraw/zinc/30/24/69/451302469.db2.gz ISLLZVULFFAPSI-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000635853548 451302472 /nfs/dbraw/zinc/30/24/72/451302472.db2.gz ISLLZVULFFAPSI-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP COCC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000635924441 451368770 /nfs/dbraw/zinc/36/87/70/451368770.db2.gz WNEMWLDNZCTJHR-KRWDZBQOSA-N 2 1 341.496 1.057 20 0 EDADMP COC[C@@]1(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000638227773 451368788 /nfs/dbraw/zinc/36/87/88/451368788.db2.gz ASJPJUAYRPPPRF-MJGOQNOKSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000640518112 451369322 /nfs/dbraw/zinc/36/93/22/451369322.db2.gz GTCFIDJITGWYPN-BPKGMFCQSA-N 2 1 337.508 1.863 20 0 EDADMP C[C@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000640518112 451369325 /nfs/dbraw/zinc/36/93/25/451369325.db2.gz GTCFIDJITGWYPN-BPKGMFCQSA-N 2 1 337.508 1.863 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000638265497 451387472 /nfs/dbraw/zinc/38/74/72/451387472.db2.gz COSVQEVXXYXNEK-ZIAGYGMSSA-N 2 1 329.366 1.904 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638285904 451403495 /nfs/dbraw/zinc/40/34/95/451403495.db2.gz OAQSIOGZORFIKV-AYBZRNKSSA-N 2 1 331.460 1.379 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])CC[N@H+]2C2CC2)c1 ZINC000638294245 451410499 /nfs/dbraw/zinc/41/04/99/451410499.db2.gz NDENWPBEDHZHGJ-WNRNVDISSA-N 2 1 345.443 1.205 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cc(-n2ccnc2)ccc1O ZINC000635975504 451410626 /nfs/dbraw/zinc/41/06/26/451410626.db2.gz QAUGSNOPRQLOEQ-OAHLLOKOSA-N 2 1 344.415 1.155 20 0 EDADMP CO[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000638304892 451418456 /nfs/dbraw/zinc/41/84/56/451418456.db2.gz MXWCPYSWTZIURF-RBUKOAKNSA-N 2 1 334.460 1.660 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)CN2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000638310259 451424316 /nfs/dbraw/zinc/42/43/16/451424316.db2.gz QCNCZEZCCJADJZ-IEBWSBKVSA-N 2 1 344.503 1.309 20 0 EDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630843800 451434526 /nfs/dbraw/zinc/43/45/26/451434526.db2.gz SFSJCSYBHOEESL-UHFFFAOYSA-N 2 1 335.496 1.781 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000638347285 451450012 /nfs/dbraw/zinc/45/00/12/451450012.db2.gz QHXVAWCWDLIIIQ-JKSUJKDBSA-N 2 1 334.464 1.751 20 0 EDADMP COC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000634713594 451494075 /nfs/dbraw/zinc/49/40/75/451494075.db2.gz YSIICEQPUAXNNM-GBESFXJTSA-N 2 1 334.460 1.407 20 0 EDADMP COC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000634713594 451494080 /nfs/dbraw/zinc/49/40/80/451494080.db2.gz YSIICEQPUAXNNM-GBESFXJTSA-N 2 1 334.460 1.407 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000638375107 451471690 /nfs/dbraw/zinc/47/16/90/451471690.db2.gz DNUIWSYWBMMDLZ-IRXDYDNUSA-N 2 1 330.476 1.237 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000638375107 451471699 /nfs/dbraw/zinc/47/16/99/451471699.db2.gz DNUIWSYWBMMDLZ-IRXDYDNUSA-N 2 1 330.476 1.237 20 0 EDADMP COCC(C)(C)N1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000636058083 451474224 /nfs/dbraw/zinc/47/42/24/451474224.db2.gz YMRONDQFABFKLS-UHFFFAOYSA-N 2 1 347.503 1.730 20 0 EDADMP CCc1nncn1CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634705769 451482534 /nfs/dbraw/zinc/48/25/34/451482534.db2.gz FTIGPJXMDZTSKA-GOSISDBHSA-N 2 1 329.448 1.067 20 0 EDADMP CCc1nncn1CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634705769 451482540 /nfs/dbraw/zinc/48/25/40/451482540.db2.gz FTIGPJXMDZTSKA-GOSISDBHSA-N 2 1 329.448 1.067 20 0 EDADMP O[C@]1(C[NH2+][C@@H]2CCc3n[nH]cc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634708659 451487052 /nfs/dbraw/zinc/48/70/52/451487052.db2.gz XTRGSSFZEZWAGB-MJGOQNOKSA-N 2 1 326.444 1.494 20 0 EDADMP O[C@]1(C[NH2+][C@@H]2CCc3n[nH]cc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708659 451487054 /nfs/dbraw/zinc/48/70/54/451487054.db2.gz XTRGSSFZEZWAGB-MJGOQNOKSA-N 2 1 326.444 1.494 20 0 EDADMP O[C@@]1(C[NH2+]CCC2(O)CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634715120 451496065 /nfs/dbraw/zinc/49/60/65/451496065.db2.gz XXINYKTXKONFEB-LJQANCHMSA-N 2 1 334.460 1.145 20 0 EDADMP O[C@@]1(C[NH2+]CCC2(O)CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715120 451496071 /nfs/dbraw/zinc/49/60/71/451496071.db2.gz XXINYKTXKONFEB-LJQANCHMSA-N 2 1 334.460 1.145 20 0 EDADMP C[NH+]1CCC([NH2+]Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000631036148 451544170 /nfs/dbraw/zinc/54/41/70/451544170.db2.gz XDMKNXQVWVYPKS-UHFFFAOYSA-N 2 1 333.476 1.581 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000638511606 451552019 /nfs/dbraw/zinc/55/20/19/451552019.db2.gz BNCIRDHOZAVTFV-ZSYWTGECSA-N 2 1 327.472 1.821 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(=O)[nH]c3)cc2)CC1 ZINC000631048511 451553430 /nfs/dbraw/zinc/55/34/30/451553430.db2.gz ZRUKSUGYAWIDAA-UHFFFAOYSA-N 2 1 326.444 1.824 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccncc2Br)CC1 ZINC000631063140 451562870 /nfs/dbraw/zinc/56/28/70/451562870.db2.gz CLBGRTVZKKRWSI-UHFFFAOYSA-N 2 1 341.297 1.961 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638591253 451593974 /nfs/dbraw/zinc/59/39/74/451593974.db2.gz FRCFRKLAJFHLAY-GOSISDBHSA-N 2 1 333.476 1.593 20 0 EDADMP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638613515 451607434 /nfs/dbraw/zinc/60/74/34/451607434.db2.gz XVOACPNTNGTTLB-CEXWTWQISA-N 2 1 343.471 1.249 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3cnccn3)CC2)CC1 ZINC000629290070 451643524 /nfs/dbraw/zinc/64/35/24/451643524.db2.gz BUGRNQGPGIEUEW-UHFFFAOYSA-N 2 1 331.464 1.636 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000634999178 451643903 /nfs/dbraw/zinc/64/39/03/451643903.db2.gz QXQXCVRXVKIXQY-UKRRQHHQSA-N 2 1 335.448 1.237 20 0 EDADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000638679228 451648367 /nfs/dbraw/zinc/64/83/67/451648367.db2.gz RYVVLZUKTWZSPG-KPFFTGBYSA-N 2 1 345.487 1.660 20 0 EDADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000638679228 451648374 /nfs/dbraw/zinc/64/83/74/451648374.db2.gz RYVVLZUKTWZSPG-KPFFTGBYSA-N 2 1 345.487 1.660 20 0 EDADMP C[C@@H]([NH2+]Cc1cnc(N)nc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638914674 451734574 /nfs/dbraw/zinc/73/45/74/451734574.db2.gz CITCRBPYJIRRNU-UKRRQHHQSA-N 2 1 326.448 1.302 20 0 EDADMP C[C@@H]([NH2+]Cc1cnc(N)nc1N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638914674 451734576 /nfs/dbraw/zinc/73/45/76/451734576.db2.gz CITCRBPYJIRRNU-UKRRQHHQSA-N 2 1 326.448 1.302 20 0 EDADMP O=C(N[C@H]1CCC[NH2+]CC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000641072492 451745113 /nfs/dbraw/zinc/74/51/13/451745113.db2.gz JXLJEFRPODOBLO-SFHVURJKSA-N 2 1 330.476 1.698 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000637207526 451756409 /nfs/dbraw/zinc/75/64/09/451756409.db2.gz YZOVHVYBXYWXBW-SFHVURJKSA-N 2 1 330.476 1.902 20 0 EDADMP CO[C@H](Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1)C1CCCCC1 ZINC000641185581 451772651 /nfs/dbraw/zinc/77/26/51/451772651.db2.gz XVNJBZYKOLNQTG-GOSISDBHSA-N 2 1 335.496 1.839 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](CO)C[C@H]1C ZINC000637264963 451774516 /nfs/dbraw/zinc/77/45/16/451774516.db2.gz NWSBCZLQGSNOAD-ARFHVFGLSA-N 2 1 328.501 1.061 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](CO)C[C@H]1C ZINC000637264963 451774518 /nfs/dbraw/zinc/77/45/18/451774518.db2.gz NWSBCZLQGSNOAD-ARFHVFGLSA-N 2 1 328.501 1.061 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000641193800 451775233 /nfs/dbraw/zinc/77/52/33/451775233.db2.gz BMQZGBPVKGMTRR-HHARLNAUSA-N 2 1 338.496 1.540 20 0 EDADMP CC[C@@H](C)[C@@H](C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000639168524 451783794 /nfs/dbraw/zinc/78/37/94/451783794.db2.gz ABKSVVRPQOUJQP-NVXWUHKLSA-N 2 1 325.497 1.534 20 0 EDADMP CO[C@@]1(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000639171222 451784735 /nfs/dbraw/zinc/78/47/35/451784735.db2.gz KICNIZHIXJFIOZ-HXUWFJFHSA-N 2 1 347.503 1.542 20 0 EDADMP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000644524026 451839844 /nfs/dbraw/zinc/83/98/44/451839844.db2.gz LQFNPOBAIKLKLL-FGTMMUONSA-N 2 1 332.444 1.845 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000642006511 451804452 /nfs/dbraw/zinc/80/44/52/451804452.db2.gz AMDSJNBVYZIAAQ-WMZOPIPTSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000642006511 451804459 /nfs/dbraw/zinc/80/44/59/451804459.db2.gz AMDSJNBVYZIAAQ-WMZOPIPTSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@@H]1CN(C[C@H]2CCCN2C(=O)NC[C@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000637381231 451812925 /nfs/dbraw/zinc/81/29/25/451812925.db2.gz GHDBINIGYGIAMK-QBPKDAKJSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NC[C@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000637381231 451812932 /nfs/dbraw/zinc/81/29/32/451812932.db2.gz GHDBINIGYGIAMK-QBPKDAKJSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NC[C@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000637381231 451812938 /nfs/dbraw/zinc/81/29/38/451812938.db2.gz GHDBINIGYGIAMK-QBPKDAKJSA-N 2 1 338.496 1.364 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000637379859 451813102 /nfs/dbraw/zinc/81/31/02/451813102.db2.gz JUMHPFZNOKSFFU-QZTJIDSGSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000637379859 451813109 /nfs/dbraw/zinc/81/31/09/451813109.db2.gz JUMHPFZNOKSFFU-QZTJIDSGSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000637379859 451813115 /nfs/dbraw/zinc/81/31/15/451813115.db2.gz JUMHPFZNOKSFFU-QZTJIDSGSA-N 2 1 346.475 1.147 20 0 EDADMP CC(C)OC[C@@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000644527859 451843269 /nfs/dbraw/zinc/84/32/69/451843269.db2.gz AKDSZQSOUJDCTQ-APWZRJJASA-N 2 1 336.476 1.783 20 0 EDADMP CC(C)OC[C@@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000644527859 451843273 /nfs/dbraw/zinc/84/32/73/451843273.db2.gz AKDSZQSOUJDCTQ-APWZRJJASA-N 2 1 336.476 1.783 20 0 EDADMP O=C(N1CC[NH+](C[C@H]2CCCO2)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000649278952 451949600 /nfs/dbraw/zinc/94/96/00/451949600.db2.gz ORFJCYZAFAYUPO-QUCCMNQESA-N 2 1 343.471 1.241 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc[nH]c(=O)c3)CC2)CC1 ZINC000639532487 451929091 /nfs/dbraw/zinc/92/90/91/451929091.db2.gz VFNFQLPIVNDXKY-UHFFFAOYSA-N 2 1 332.448 1.163 20 0 EDADMP CC(C)C(=O)NCC[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000639555997 451944016 /nfs/dbraw/zinc/94/40/16/451944016.db2.gz YMKADGVSVIHUMT-LJQANCHMSA-N 2 1 333.476 1.327 20 0 EDADMP CC(C)C(=O)NCC[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000639555997 451944020 /nfs/dbraw/zinc/94/40/20/451944020.db2.gz YMKADGVSVIHUMT-LJQANCHMSA-N 2 1 333.476 1.327 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cnn1C ZINC000649280942 451953227 /nfs/dbraw/zinc/95/32/27/451953227.db2.gz XJYGJMAFSFLMRL-OLMNPRSZSA-N 2 1 347.507 1.412 20 0 EDADMP COC[C@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000649287588 451960987 /nfs/dbraw/zinc/96/09/87/451960987.db2.gz SEQLUVSDXDWLOR-FQEVSTJZSA-N 2 1 345.487 1.798 20 0 EDADMP COCCC1(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000649293137 451969945 /nfs/dbraw/zinc/96/99/45/451969945.db2.gz AHKPDMPGQJGVHI-HZPDHXFCSA-N 2 1 325.497 1.629 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649294776 451971733 /nfs/dbraw/zinc/97/17/33/451971733.db2.gz BAFXLTWBDJXBFX-GJZGRUSLSA-N 2 1 334.468 1.197 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CC[NH2+]C(C)C)cc2)CC1 ZINC000649308568 451986540 /nfs/dbraw/zinc/98/65/40/451986540.db2.gz OKYPMKKZUAGDSC-UHFFFAOYSA-N 2 1 346.475 1.791 20 0 EDADMP COC[C@]1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCC[NH2+]1 ZINC000649311409 451989064 /nfs/dbraw/zinc/98/90/64/451989064.db2.gz OGUVPUFGQXXKKQ-LMMKCTJWSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000637651642 451999043 /nfs/dbraw/zinc/99/90/43/451999043.db2.gz MBHOOZDUXCHSIZ-WMZOPIPTSA-N 2 1 330.476 1.902 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000649326549 452007266 /nfs/dbraw/zinc/00/72/66/452007266.db2.gz BNEPLCWXYJLYNO-MZZPOWALSA-N 2 1 335.492 1.604 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000649336732 452017868 /nfs/dbraw/zinc/01/78/68/452017868.db2.gz QUMVDBQOCJNWBS-MNZLEMJZSA-N 2 1 345.487 1.638 20 0 EDADMP C[C@H]1CCN(C(=O)[C@]2(N)CC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000649344859 452027116 /nfs/dbraw/zinc/02/71/16/452027116.db2.gz VELVAPKQWDZLIA-LPHOPBHVSA-N 2 1 330.476 1.142 20 0 EDADMP C[C@H]1CCN(C(=O)[C@]2(N)CC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000649344859 452027120 /nfs/dbraw/zinc/02/71/20/452027120.db2.gz VELVAPKQWDZLIA-LPHOPBHVSA-N 2 1 330.476 1.142 20 0 EDADMP C[C@H]1CCN(C(=O)[C@]2(N)CC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000649344859 452027123 /nfs/dbraw/zinc/02/71/23/452027123.db2.gz VELVAPKQWDZLIA-LPHOPBHVSA-N 2 1 330.476 1.142 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)CCC(C)(C)[NH3+])c2cccs2)CC1 ZINC000649348899 452031474 /nfs/dbraw/zinc/03/14/74/452031474.db2.gz DOGQYGGESPXBDH-CQSZACIVSA-N 2 1 338.521 1.670 20 0 EDADMP C[N@@H+](CCN1CCC([NH+]2CCC[C@H]2C(N)=O)CC1)Cc1ccccc1 ZINC000649393393 452061586 /nfs/dbraw/zinc/06/15/86/452061586.db2.gz GCMYZJHEUCXFKN-IBGZPJMESA-N 2 1 344.503 1.533 20 0 EDADMP C[NH+](CCN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)Cc1ccccc1 ZINC000649393393 452061591 /nfs/dbraw/zinc/06/15/91/452061591.db2.gz GCMYZJHEUCXFKN-IBGZPJMESA-N 2 1 344.503 1.533 20 0 EDADMP C[NH+](CCN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)Cc1ccccc1 ZINC000649393393 452061597 /nfs/dbraw/zinc/06/15/97/452061597.db2.gz GCMYZJHEUCXFKN-IBGZPJMESA-N 2 1 344.503 1.533 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649418224 452080182 /nfs/dbraw/zinc/08/01/82/452080182.db2.gz LCZMXBXGIYKPAE-JZXOWHBKSA-N 2 1 345.491 1.627 20 0 EDADMP CC[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000649416829 452080380 /nfs/dbraw/zinc/08/03/80/452080380.db2.gz NACTXFMTKPIXPS-RTBURBONSA-N 2 1 344.503 1.390 20 0 EDADMP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000637797546 452087707 /nfs/dbraw/zinc/08/77/07/452087707.db2.gz ASQCENHGLGORCQ-MJGOQNOKSA-N 2 1 331.460 1.488 20 0 EDADMP COC[C@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCCC[NH2+]1 ZINC000637798509 452089034 /nfs/dbraw/zinc/08/90/34/452089034.db2.gz HSOROXMFIYROTO-FQEVSTJZSA-N 2 1 345.487 1.880 20 0 EDADMP C[NH+]1CCC2(CC[N@H+](Cc3nnnn3CC3CCOCC3)C2)CC1 ZINC000639756205 452096307 /nfs/dbraw/zinc/09/63/07/452096307.db2.gz ROOLRZUYXSSPLE-UHFFFAOYSA-N 2 1 334.468 1.017 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](Cc3nnnn3CC3CCOCC3)C2)CC1 ZINC000639756205 452096313 /nfs/dbraw/zinc/09/63/13/452096313.db2.gz ROOLRZUYXSSPLE-UHFFFAOYSA-N 2 1 334.468 1.017 20 0 EDADMP CO[C@@]1(CO)CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639798938 452136907 /nfs/dbraw/zinc/13/69/07/452136907.db2.gz RWANMTQWPYXLKL-OALUTQOASA-N 2 1 334.460 1.097 20 0 EDADMP CO[C@@]1(CO)CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639798938 452136912 /nfs/dbraw/zinc/13/69/12/452136912.db2.gz RWANMTQWPYXLKL-OALUTQOASA-N 2 1 334.460 1.097 20 0 EDADMP CO[C@@]1(CO)CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639798938 452136917 /nfs/dbraw/zinc/13/69/17/452136917.db2.gz RWANMTQWPYXLKL-OALUTQOASA-N 2 1 334.460 1.097 20 0 EDADMP CO[C@@]1(CO)CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639798938 452136924 /nfs/dbraw/zinc/13/69/24/452136924.db2.gz RWANMTQWPYXLKL-OALUTQOASA-N 2 1 334.460 1.097 20 0 EDADMP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639818748 452153368 /nfs/dbraw/zinc/15/33/68/452153368.db2.gz CWUBCHQATSLDHO-UONOGXRCSA-N 2 1 325.419 1.646 20 0 EDADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639818748 452153372 /nfs/dbraw/zinc/15/33/72/452153372.db2.gz CWUBCHQATSLDHO-UONOGXRCSA-N 2 1 325.419 1.646 20 0 EDADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639818748 452153377 /nfs/dbraw/zinc/15/33/77/452153377.db2.gz CWUBCHQATSLDHO-UONOGXRCSA-N 2 1 325.419 1.646 20 0 EDADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639818748 452153382 /nfs/dbraw/zinc/15/33/82/452153382.db2.gz CWUBCHQATSLDHO-UONOGXRCSA-N 2 1 325.419 1.646 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@]2(O)CCOC2)[C@@H](C)C1 ZINC000647340727 452182307 /nfs/dbraw/zinc/18/23/07/452182307.db2.gz NNRUXSOLCRNUDI-JENIJYKNSA-N 2 1 342.524 1.891 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000645183297 452199326 /nfs/dbraw/zinc/19/93/26/452199326.db2.gz UDSFIHVUCSJQQK-CABCVRRESA-N 2 1 336.505 1.152 20 0 EDADMP C[NH+](C)CCC1CC[NH+](Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000637964004 452209408 /nfs/dbraw/zinc/20/94/08/452209408.db2.gz FGKFGXPBQZHYOR-UHFFFAOYSA-N 2 1 343.468 1.637 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000639881206 452216876 /nfs/dbraw/zinc/21/68/76/452216876.db2.gz VAAVAOPTYJBWEK-DLBZAZTESA-N 2 1 327.513 1.263 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000641720137 452219371 /nfs/dbraw/zinc/21/93/71/452219371.db2.gz BYHDEKJXGLMLPN-UHFFFAOYSA-N 2 1 345.447 1.301 20 0 EDADMP C[N@H+]1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1(C)C ZINC000641750045 452236680 /nfs/dbraw/zinc/23/66/80/452236680.db2.gz GVUNSXBZZNIVSU-UHFFFAOYSA-N 2 1 345.491 1.782 20 0 EDADMP [NH3+]C1(CC(=O)N[C@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638004825 452242896 /nfs/dbraw/zinc/24/28/96/452242896.db2.gz HRTACYFLRQPQPH-INIZCTEOSA-N 2 1 333.501 1.992 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000643479499 452244333 /nfs/dbraw/zinc/24/43/33/452244333.db2.gz IVEJFWFPVPUCIH-UHOFOFEASA-N 2 1 329.423 1.987 20 0 EDADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657432395 452247433 /nfs/dbraw/zinc/24/74/33/452247433.db2.gz NAGMNCHRTCDUDW-SFHVURJKSA-N 2 1 326.444 1.686 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000647537597 452271033 /nfs/dbraw/zinc/27/10/33/452271033.db2.gz VFOGVOXFKIYDIB-XHSDSOJGSA-N 2 1 328.403 1.618 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000647537597 452271038 /nfs/dbraw/zinc/27/10/38/452271038.db2.gz VFOGVOXFKIYDIB-XHSDSOJGSA-N 2 1 328.403 1.618 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000641804892 452282581 /nfs/dbraw/zinc/28/25/81/452282581.db2.gz MBZNGYFGTOZXHH-STQMWFEESA-N 2 1 345.365 1.917 20 0 EDADMP CN(CCCOc1ccc(F)cc1)C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641804541 452283431 /nfs/dbraw/zinc/28/34/31/452283431.db2.gz KGYVYDSPEXVPNX-HOTGVXAUSA-N 2 1 337.439 1.768 20 0 EDADMP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000659438163 452286003 /nfs/dbraw/zinc/28/60/03/452286003.db2.gz PITNVIIVAKARGE-TVRKMHQQSA-N 2 1 328.460 1.702 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659442648 452291766 /nfs/dbraw/zinc/29/17/66/452291766.db2.gz RBQULSYHISTBGJ-PSPFXIJKSA-N 2 1 328.460 1.873 20 0 EDADMP CC(C)[NH+](CCNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000638047389 452314785 /nfs/dbraw/zinc/31/47/85/452314785.db2.gz GKTXNXPWYRJDMR-SFHVURJKSA-N 2 1 334.508 1.681 20 0 EDADMP CC(C)[NH+](CCNC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1)C(C)C ZINC000638047389 452314795 /nfs/dbraw/zinc/31/47/95/452314795.db2.gz GKTXNXPWYRJDMR-SFHVURJKSA-N 2 1 334.508 1.681 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000659462154 452316330 /nfs/dbraw/zinc/31/63/30/452316330.db2.gz UNDGVVMYCONBAC-UHFFFAOYSA-N 2 1 339.528 1.315 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCCC2(C[NH3+])CC2)C[C@H](C)O1 ZINC000652122940 452317983 /nfs/dbraw/zinc/31/79/83/452317983.db2.gz RULYPEKJTNEBSI-OKILXGFUSA-N 2 1 326.485 1.302 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCCC2(C[NH3+])CC2)C[C@H](C)O1 ZINC000652122940 452317997 /nfs/dbraw/zinc/31/79/97/452317997.db2.gz RULYPEKJTNEBSI-OKILXGFUSA-N 2 1 326.485 1.302 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)CCO)CC1 ZINC000649866056 452325724 /nfs/dbraw/zinc/32/57/24/452325724.db2.gz KOVDLJJRDPBULW-KRWDZBQOSA-N 2 1 347.503 1.778 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000638052044 452326820 /nfs/dbraw/zinc/32/68/20/452326820.db2.gz VUCUCTTVPJENMF-NUTKFTJISA-N 2 1 339.867 1.826 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000665762329 452341423 /nfs/dbraw/zinc/34/14/23/452341423.db2.gz AUWRVJRQULFLOZ-LZWOXQAQSA-N 2 1 346.466 1.945 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000665762329 452341428 /nfs/dbraw/zinc/34/14/28/452341428.db2.gz AUWRVJRQULFLOZ-LZWOXQAQSA-N 2 1 346.466 1.945 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659481642 452341742 /nfs/dbraw/zinc/34/17/42/452341742.db2.gz JTMHYUMUNWUQMC-MWQQHZPXSA-N 2 1 334.439 1.588 20 0 EDADMP CCC[C@@]1(CO)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665762959 452343689 /nfs/dbraw/zinc/34/36/89/452343689.db2.gz VOJHQHMRMQZRSR-FUHWJXTLSA-N 2 1 342.528 1.453 20 0 EDADMP CCC[C@@]1(CO)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665762959 452343699 /nfs/dbraw/zinc/34/36/99/452343699.db2.gz VOJHQHMRMQZRSR-FUHWJXTLSA-N 2 1 342.528 1.453 20 0 EDADMP CO[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C[C@H]1C ZINC000665763786 452348416 /nfs/dbraw/zinc/34/84/16/452348416.db2.gz LPGSXTNITWHGIY-PMPSAXMXSA-N 2 1 328.501 1.325 20 0 EDADMP CO[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C[C@H]1C ZINC000665763786 452348427 /nfs/dbraw/zinc/34/84/27/452348427.db2.gz LPGSXTNITWHGIY-PMPSAXMXSA-N 2 1 328.501 1.325 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](CCCO)C1 ZINC000665764225 452349200 /nfs/dbraw/zinc/34/92/00/452349200.db2.gz YKUNCDJHRGGBTA-JKSUJKDBSA-N 2 1 328.501 1.062 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](CCCO)C1 ZINC000665764225 452349207 /nfs/dbraw/zinc/34/92/07/452349207.db2.gz YKUNCDJHRGGBTA-JKSUJKDBSA-N 2 1 328.501 1.062 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000638058799 452349275 /nfs/dbraw/zinc/34/92/75/452349275.db2.gz XKMQOQHCBORSAT-CVEARBPZSA-N 2 1 337.851 1.491 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000638058799 452349284 /nfs/dbraw/zinc/34/92/84/452349284.db2.gz XKMQOQHCBORSAT-CVEARBPZSA-N 2 1 337.851 1.491 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000638059699 452352160 /nfs/dbraw/zinc/35/21/60/452352160.db2.gz WOAMWIQUOWNNDY-PKOBYXMFSA-N 2 1 331.460 1.140 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000659492769 452355579 /nfs/dbraw/zinc/35/55/79/452355579.db2.gz KFFINTJGTQGTSH-HCMQPCSISA-N 2 1 328.460 1.701 20 0 EDADMP CN(C)c1ncc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000657593650 452360889 /nfs/dbraw/zinc/36/08/89/452360889.db2.gz BEBAQMFCDOGWGE-GOSISDBHSA-N 2 1 341.459 1.399 20 0 EDADMP CC(C)CC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000638065514 452366410 /nfs/dbraw/zinc/36/64/10/452366410.db2.gz UJFCRVZRLNSJFS-GOSISDBHSA-N 2 1 333.476 1.899 20 0 EDADMP CCO[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652174516 452368347 /nfs/dbraw/zinc/36/83/47/452368347.db2.gz WOSZHNGYVNVYQD-XMTFNYHQSA-N 2 1 346.475 1.437 20 0 EDADMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCc2ccc(F)cc21 ZINC000649894789 452369060 /nfs/dbraw/zinc/36/90/60/452369060.db2.gz URSAGVMQKOVQFD-OAHLLOKOSA-N 2 1 333.451 1.951 20 0 EDADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCc2ccc(F)cc21 ZINC000649894789 452369061 /nfs/dbraw/zinc/36/90/61/452369061.db2.gz URSAGVMQKOVQFD-OAHLLOKOSA-N 2 1 333.451 1.951 20 0 EDADMP C[C@@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000638070538 452377042 /nfs/dbraw/zinc/37/70/42/452377042.db2.gz YYOZPPSBTHOOQS-ZIFCJYIRSA-N 2 1 346.519 1.825 20 0 EDADMP C[C@@H](CNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000638070538 452377053 /nfs/dbraw/zinc/37/70/53/452377053.db2.gz YYOZPPSBTHOOQS-ZIFCJYIRSA-N 2 1 346.519 1.825 20 0 EDADMP C[C@@H](CNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000638070538 452377063 /nfs/dbraw/zinc/37/70/63/452377063.db2.gz YYOZPPSBTHOOQS-ZIFCJYIRSA-N 2 1 346.519 1.825 20 0 EDADMP CN1CCN(C(=O)C[N@@H+](C)Cc2cccc(-n3cccn3)c2)CC1 ZINC000640051769 452394549 /nfs/dbraw/zinc/39/45/49/452394549.db2.gz ZKWRTNSTKGWBLR-UHFFFAOYSA-N 2 1 327.432 1.078 20 0 EDADMP CN(CC(=O)N1CCN(C)CC1)Cc1cccc(-n2cccn2)c1 ZINC000640051769 452394554 /nfs/dbraw/zinc/39/45/54/452394554.db2.gz ZKWRTNSTKGWBLR-UHFFFAOYSA-N 2 1 327.432 1.078 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000659538112 452397855 /nfs/dbraw/zinc/39/78/55/452397855.db2.gz VTCHOWRLBAFFOK-JLSDUUJJSA-N 2 1 346.475 1.050 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638081531 452398190 /nfs/dbraw/zinc/39/81/90/452398190.db2.gz ABJQGXNJHOLHJI-BBRMVZONSA-N 2 1 325.416 1.501 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCCC[NH2+]C2CC2)[C@H](Cc2ccccc2)C1 ZINC000652201041 452398791 /nfs/dbraw/zinc/39/87/91/452398791.db2.gz RKQNPYWFHGYKPN-GOSISDBHSA-N 2 1 330.476 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)NCCC[NH2+]C2CC2)[C@H](Cc2ccccc2)C1 ZINC000652201041 452398800 /nfs/dbraw/zinc/39/88/00/452398800.db2.gz RKQNPYWFHGYKPN-GOSISDBHSA-N 2 1 330.476 1.697 20 0 EDADMP CN(C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659616503 452475717 /nfs/dbraw/zinc/47/57/17/452475717.db2.gz LERMWIZCUFVDOL-HFCFLWKCSA-N 2 1 328.460 1.654 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(CC)C2)[C@@H](C)C1 ZINC000652297715 452479808 /nfs/dbraw/zinc/47/98/08/452479808.db2.gz XQMNBEWCYFADIL-ULQDDVLXSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000652335840 452504927 /nfs/dbraw/zinc/50/49/27/452504927.db2.gz KEIKDXFWIZLYPN-INIZCTEOSA-N 2 1 325.478 1.590 20 0 EDADMP O[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000647792960 452523878 /nfs/dbraw/zinc/52/38/78/452523878.db2.gz GMMHBLVMTIPEPX-HAGHYFMRSA-N 3 1 329.488 1.601 20 0 EDADMP O[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000647792960 452523886 /nfs/dbraw/zinc/52/38/86/452523886.db2.gz GMMHBLVMTIPEPX-HAGHYFMRSA-N 3 1 329.488 1.601 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350778 452525332 /nfs/dbraw/zinc/52/53/32/452525332.db2.gz HSFSYLCPRBEIAQ-LPHOPBHVSA-N 2 1 331.460 1.714 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350778 452525337 /nfs/dbraw/zinc/52/53/37/452525337.db2.gz HSFSYLCPRBEIAQ-LPHOPBHVSA-N 2 1 331.460 1.714 20 0 EDADMP Clc1cccnc1OCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655733693 452545602 /nfs/dbraw/zinc/54/56/02/452545602.db2.gz PZHSIZPEIWHVDK-AWEZNQCLSA-N 2 1 325.840 1.957 20 0 EDADMP O[C@@H]1[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC12CCOCC2 ZINC000655765903 452565097 /nfs/dbraw/zinc/56/50/97/452565097.db2.gz KRBFHCTUWUFWJA-CGTJXYLNSA-N 2 1 338.492 1.397 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H]1n1cccn1 ZINC000655771886 452568786 /nfs/dbraw/zinc/56/87/86/452568786.db2.gz QHRHEGLRKLPIBE-HCXYKTFWSA-N 2 1 348.491 1.835 20 0 EDADMP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647835368 452570504 /nfs/dbraw/zinc/57/05/04/452570504.db2.gz VUHAFSOOSMTMQV-SJORKVTESA-N 2 1 346.519 1.652 20 0 EDADMP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647835368 452570514 /nfs/dbraw/zinc/57/05/14/452570514.db2.gz VUHAFSOOSMTMQV-SJORKVTESA-N 2 1 346.519 1.652 20 0 EDADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835363 452571372 /nfs/dbraw/zinc/57/13/72/452571372.db2.gz VPQXNOUANZGHQG-MRXNPFEDSA-N 2 1 346.519 1.975 20 0 EDADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835363 452571379 /nfs/dbraw/zinc/57/13/79/452571379.db2.gz VPQXNOUANZGHQG-MRXNPFEDSA-N 2 1 346.519 1.975 20 0 EDADMP CC[C@H]1C[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647935017 452675309 /nfs/dbraw/zinc/67/53/09/452675309.db2.gz XGHMPVFLFMNXLY-DLBZAZTESA-N 2 1 339.505 1.507 20 0 EDADMP CC[C@H]1C[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647935017 452675316 /nfs/dbraw/zinc/67/53/16/452675316.db2.gz XGHMPVFLFMNXLY-DLBZAZTESA-N 2 1 339.505 1.507 20 0 EDADMP C[C@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654590643 452676621 /nfs/dbraw/zinc/67/66/21/452676621.db2.gz HEUNAEOXZRLAPV-NCOADZHNSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654590643 452676629 /nfs/dbraw/zinc/67/66/29/452676629.db2.gz HEUNAEOXZRLAPV-NCOADZHNSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NCC[C@@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654590643 452676641 /nfs/dbraw/zinc/67/66/41/452676641.db2.gz HEUNAEOXZRLAPV-NCOADZHNSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NCC[C@@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654590643 452676651 /nfs/dbraw/zinc/67/66/51/452676651.db2.gz HEUNAEOXZRLAPV-NCOADZHNSA-N 2 1 340.512 1.515 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655916062 452677140 /nfs/dbraw/zinc/67/71/40/452677140.db2.gz ZMDGRLPVKAFEJA-CYBMUJFWSA-N 2 1 332.370 1.827 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000645685222 452687276 /nfs/dbraw/zinc/68/72/76/452687276.db2.gz WCIMFXMUCHDVDX-ZFWWWQNUSA-N 2 1 340.265 1.833 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655923096 452688234 /nfs/dbraw/zinc/68/82/34/452688234.db2.gz UEPIAHYTVQSQEG-YPMHNXCESA-N 2 1 332.370 1.696 20 0 EDADMP C[NH+](C)C[C@H]1CCN(CC2(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)CCC2)C1 ZINC000647971191 452715746 /nfs/dbraw/zinc/71/57/46/452715746.db2.gz YAWHUVLZFTWRAB-KDURUIRLSA-N 3 1 336.568 1.924 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(CC2(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)CCC2)C1 ZINC000647971191 452715754 /nfs/dbraw/zinc/71/57/54/452715754.db2.gz YAWHUVLZFTWRAB-KDURUIRLSA-N 3 1 336.568 1.924 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(CC2(C[N@H+]3CC[C@H](C[NH+](C)C)C3)CCC2)C1 ZINC000647971191 452715762 /nfs/dbraw/zinc/71/57/62/452715762.db2.gz YAWHUVLZFTWRAB-KDURUIRLSA-N 3 1 336.568 1.924 20 0 EDADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000661976006 452730598 /nfs/dbraw/zinc/73/05/98/452730598.db2.gz QOBYYELFZQGXTM-IXDOHACOSA-N 2 1 336.480 1.166 20 0 EDADMP COCC1(CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH2+]CC1 ZINC000655966605 452748331 /nfs/dbraw/zinc/74/83/31/452748331.db2.gz BKGVGVNUYXAZCJ-JKSUJKDBSA-N 2 1 338.496 1.319 20 0 EDADMP C[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653919 452758961 /nfs/dbraw/zinc/75/89/61/452758961.db2.gz OEYUSWXSIZLFMN-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653919 452758967 /nfs/dbraw/zinc/75/89/67/452758967.db2.gz OEYUSWXSIZLFMN-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)c1 ZINC000652624853 452783630 /nfs/dbraw/zinc/78/36/30/452783630.db2.gz ONIALFVRKADBEM-UHFFFAOYSA-N 2 1 334.464 1.439 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000659931449 452824114 /nfs/dbraw/zinc/82/41/14/452824114.db2.gz PBDWKGZVUHEKSF-KRWDZBQOSA-N 2 1 333.476 1.207 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000659931449 452824124 /nfs/dbraw/zinc/82/41/24/452824124.db2.gz PBDWKGZVUHEKSF-KRWDZBQOSA-N 2 1 333.476 1.207 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000652701846 452852407 /nfs/dbraw/zinc/85/24/07/452852407.db2.gz KEQSSUAPLPJYAV-HNNXBMFYSA-N 2 1 348.491 1.417 20 0 EDADMP COc1c(N)ncnc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000664234751 452909597 /nfs/dbraw/zinc/90/95/97/452909597.db2.gz AFUKQYNGKHWMMO-CQSZACIVSA-N 2 1 329.404 1.246 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000645955477 452934708 /nfs/dbraw/zinc/93/47/08/452934708.db2.gz ZQJQANLJLZWGSH-OAHLLOKOSA-N 2 1 337.508 1.914 20 0 EDADMP CC(C)[C@@H]1CCO[C@@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000648255240 452949816 /nfs/dbraw/zinc/94/98/16/452949816.db2.gz TYEBPCQLGYJATH-YOEHRIQHSA-N 2 1 332.448 1.833 20 0 EDADMP C[C@H](CNc1ccnc(N2CCOCC2)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656211258 452964060 /nfs/dbraw/zinc/96/40/60/452964060.db2.gz QWVHIKMLROFVQL-KFWWJZLASA-N 2 1 335.452 1.223 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000645977734 452965616 /nfs/dbraw/zinc/96/56/16/452965616.db2.gz KDZPULNYZFYTKA-APWZRJJASA-N 2 1 342.487 1.158 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000645977734 452965625 /nfs/dbraw/zinc/96/56/25/452965625.db2.gz KDZPULNYZFYTKA-APWZRJJASA-N 2 1 342.487 1.158 20 0 EDADMP COCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000648280405 452968213 /nfs/dbraw/zinc/96/82/13/452968213.db2.gz SBMYLGNGQHWCGP-OAHLLOKOSA-N 2 1 329.404 1.108 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000648280405 452968221 /nfs/dbraw/zinc/96/82/21/452968221.db2.gz SBMYLGNGQHWCGP-OAHLLOKOSA-N 2 1 329.404 1.108 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000650780929 452993280 /nfs/dbraw/zinc/99/32/80/452993280.db2.gz JEWHLPGKTNTQMO-WMZOPIPTSA-N 2 1 332.492 1.895 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000650780929 452993285 /nfs/dbraw/zinc/99/32/85/452993285.db2.gz JEWHLPGKTNTQMO-WMZOPIPTSA-N 2 1 332.492 1.895 20 0 EDADMP CCN(C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658468387 453004884 /nfs/dbraw/zinc/00/48/84/453004884.db2.gz TXKVEFCDFAXQBN-OAHLLOKOSA-N 2 1 343.431 1.524 20 0 EDADMP CCN(C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658468387 453004892 /nfs/dbraw/zinc/00/48/92/453004892.db2.gz TXKVEFCDFAXQBN-OAHLLOKOSA-N 2 1 343.431 1.524 20 0 EDADMP O=C(CC[NH2+]C1(CO)CC[NH2+]CC1)NCc1ccccc1Cl ZINC000662285356 453010126 /nfs/dbraw/zinc/01/01/26/453010126.db2.gz CNLBIBXJRFVAFM-UHFFFAOYSA-N 2 1 325.840 1.050 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2F)CCO1 ZINC000662319392 453034605 /nfs/dbraw/zinc/03/46/05/453034605.db2.gz MEXPEGOYXXVCQJ-HZPDHXFCSA-N 2 1 340.439 1.608 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2F)CCO1 ZINC000662319392 453034612 /nfs/dbraw/zinc/03/46/12/453034612.db2.gz MEXPEGOYXXVCQJ-HZPDHXFCSA-N 2 1 340.439 1.608 20 0 EDADMP c1ccc2c(c1)CCC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)C2 ZINC000648452227 453095610 /nfs/dbraw/zinc/09/56/10/453095610.db2.gz OSYFWSCCWCHZIE-NHCUHLMSSA-N 2 1 343.515 1.930 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662402925 453115358 /nfs/dbraw/zinc/11/53/58/453115358.db2.gz GPZZATQOSUXIKI-UONOGXRCSA-N 2 1 334.464 1.992 20 0 EDADMP C[C@H](NC(=O)[C@@H]([NH3+])c1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000662404672 453117144 /nfs/dbraw/zinc/11/71/44/453117144.db2.gz UISUUJLSINMZHL-WDMOLILDSA-N 2 1 340.265 1.953 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000662434400 453142830 /nfs/dbraw/zinc/14/28/30/453142830.db2.gz BBGWDKMOMFOSBT-GOEBONIOSA-N 2 1 332.448 1.320 20 0 EDADMP [NH3+][C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1Br ZINC000662514689 453233386 /nfs/dbraw/zinc/23/33/86/453233386.db2.gz NXISODNQCUSVQY-HIFRSBDPSA-N 2 1 338.249 1.661 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000666921579 453245303 /nfs/dbraw/zinc/24/53/03/453245303.db2.gz YXXBEONOJNVXFY-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000666921579 453245309 /nfs/dbraw/zinc/24/53/09/453245309.db2.gz YXXBEONOJNVXFY-SFHVURJKSA-N 2 1 330.476 1.998 20 0 EDADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000662561637 453289063 /nfs/dbraw/zinc/28/90/63/453289063.db2.gz PKZGMCQRLFQOFM-CQSZACIVSA-N 2 1 328.441 1.576 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H](N)CC[NH+](C)C)c2)C[C@H](C)O1 ZINC000653121245 453311083 /nfs/dbraw/zinc/31/10/83/453311083.db2.gz PQQMEJWOAFHETM-DAYGRLMNSA-N 2 1 348.491 1.513 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H](N)CC[NH+](C)C)c2)C[C@H](C)O1 ZINC000653121245 453311090 /nfs/dbraw/zinc/31/10/90/453311090.db2.gz PQQMEJWOAFHETM-DAYGRLMNSA-N 2 1 348.491 1.513 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000648844113 453323338 /nfs/dbraw/zinc/32/33/38/453323338.db2.gz LNPJUPPJEMNUGJ-RHSMWYFYSA-N 2 1 331.460 1.922 20 0 EDADMP C[NH+](C)CCOCCNC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000664732792 453361544 /nfs/dbraw/zinc/36/15/44/453361544.db2.gz ZZWVDISNTHUADS-QGZVFWFLSA-N 2 1 334.464 1.138 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2cc(C3CC3)no2)CC1 ZINC000667054604 453369603 /nfs/dbraw/zinc/36/96/03/453369603.db2.gz OIJMZOGEHHMOJD-UHFFFAOYSA-N 2 1 341.415 1.880 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCc3cccnc32)CC1 ZINC000667054694 453372496 /nfs/dbraw/zinc/37/24/96/453372496.db2.gz RLTBIYYWOIJZGS-HNNXBMFYSA-N 2 1 337.427 1.897 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662668897 453381721 /nfs/dbraw/zinc/38/17/21/453381721.db2.gz SDBHOAJHNPOHQD-CABCVRRESA-N 2 1 346.479 1.167 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662673503 453388652 /nfs/dbraw/zinc/38/86/52/453388652.db2.gz LMEITLPMAQWIOO-ZWKOTPCHSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H](c1ccc(NC(=O)N2CCC[NH2+]CC2)cc1)[NH+]1CCOCC1 ZINC000667091411 453399662 /nfs/dbraw/zinc/39/96/62/453399662.db2.gz KVAUFPYMWBWXLC-OAHLLOKOSA-N 2 1 332.448 1.907 20 0 EDADMP CC[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000662680394 453399666 /nfs/dbraw/zinc/39/96/66/453399666.db2.gz TVFQIUDKLQXAAC-FGTMMUONSA-N 2 1 331.460 1.303 20 0 EDADMP C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[N@H+]1CCC[C@@H](C)C1 ZINC000662680737 453400336 /nfs/dbraw/zinc/40/03/36/453400336.db2.gz XDQMMQVWYPSAFU-BZUAXINKSA-N 2 1 348.495 1.443 20 0 EDADMP [NH3+]Cc1ccc(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cc1 ZINC000662709407 453432695 /nfs/dbraw/zinc/43/26/95/453432695.db2.gz ZYRQZVIXHXEMNU-IAGOWNOFSA-N 2 1 329.444 1.519 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662711377 453436469 /nfs/dbraw/zinc/43/64/69/453436469.db2.gz AOBZSWSNQMBTOG-MOPGFXCFSA-N 2 1 345.487 1.721 20 0 EDADMP C[N@@H+]1CCN(C(=O)COC2CCC([NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC000653254179 453438485 /nfs/dbraw/zinc/43/84/85/453438485.db2.gz KHSHWARMBHAQQB-JLAWEPINSA-N 2 1 345.487 1.658 20 0 EDADMP C[N@H+]1CCN(C(=O)COC2CCC([NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC000653254179 453438488 /nfs/dbraw/zinc/43/84/88/453438488.db2.gz KHSHWARMBHAQQB-JLAWEPINSA-N 2 1 345.487 1.658 20 0 EDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000656787228 453447279 /nfs/dbraw/zinc/44/72/79/453447279.db2.gz HNXNAPKZMYSBHR-SPUZQDLCSA-N 2 1 341.455 1.492 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCc4cc(N)ccc43)cn2)CC1 ZINC000656791567 453447887 /nfs/dbraw/zinc/44/78/87/453447887.db2.gz JFCLAXBBPWDRIU-SFHVURJKSA-N 2 1 338.459 1.588 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660634709 453477327 /nfs/dbraw/zinc/47/73/27/453477327.db2.gz SYTAZEULOVYNLS-IAGOWNOFSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1[NH2+]CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)[C@H]1C ZINC000662776289 453511187 /nfs/dbraw/zinc/51/11/87/453511187.db2.gz WCVHYDCHPXDPIT-YUMQZZPRSA-N 2 1 344.278 1.936 20 0 EDADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)c1cccc2c1CC[NH2+]C2 ZINC000662814314 453546967 /nfs/dbraw/zinc/54/69/67/453546967.db2.gz HVMJWPFTVHUWLY-UHFFFAOYSA-N 2 1 342.487 1.279 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000660734169 453554190 /nfs/dbraw/zinc/55/41/90/453554190.db2.gz HZEYQJSTGDDOIA-SFHVURJKSA-N 2 1 344.503 1.869 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000667330022 453562738 /nfs/dbraw/zinc/56/27/38/453562738.db2.gz WQLJKBIDLYTOSR-RTBURBONSA-N 2 1 340.471 1.917 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662859477 453574181 /nfs/dbraw/zinc/57/41/81/453574181.db2.gz NGRLHIINHJBHHD-GBESFXJTSA-N 2 1 343.471 1.400 20 0 EDADMP CO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000665118986 453581557 /nfs/dbraw/zinc/58/15/57/453581557.db2.gz KERSEMQGYAAMTM-ARFHVFGLSA-N 2 1 340.512 1.515 20 0 EDADMP CO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000665118986 453581558 /nfs/dbraw/zinc/58/15/58/453581558.db2.gz KERSEMQGYAAMTM-ARFHVFGLSA-N 2 1 340.512 1.515 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000660827833 453591904 /nfs/dbraw/zinc/59/19/04/453591904.db2.gz QWVXNYWODVQGPO-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660827833 453591908 /nfs/dbraw/zinc/59/19/08/453591908.db2.gz QWVXNYWODVQGPO-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660827833 453591913 /nfs/dbraw/zinc/59/19/13/453591913.db2.gz QWVXNYWODVQGPO-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP CN(C(=O)C1([NH3+])CC2(CCC2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900255 453593526 /nfs/dbraw/zinc/59/35/26/453593526.db2.gz KTTXHPBKBTXRFV-MRXNPFEDSA-N 2 1 334.508 1.275 20 0 EDADMP CN(C(=O)C1([NH3+])CC2(CCC2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900255 453593530 /nfs/dbraw/zinc/59/35/30/453593530.db2.gz KTTXHPBKBTXRFV-MRXNPFEDSA-N 2 1 334.508 1.275 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000662925509 453608079 /nfs/dbraw/zinc/60/80/79/453608079.db2.gz AIXLHJHCWJYREM-GOSISDBHSA-N 2 1 332.492 1.537 20 0 EDADMP c1cnc(N2CCCC2)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000665236515 453619162 /nfs/dbraw/zinc/61/91/62/453619162.db2.gz OKEUUPHSNGQWNR-FGTMMUONSA-N 2 1 330.476 1.929 20 0 EDADMP CC(C)[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc2[nH]c(=O)oc2c1 ZINC000665291883 453638070 /nfs/dbraw/zinc/63/80/70/453638070.db2.gz NKPDCZYYWCLUMW-MRXNPFEDSA-N 2 1 343.387 1.975 20 0 EDADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661035873 453689230 /nfs/dbraw/zinc/68/92/30/453689230.db2.gz BDYZNPDIYZMPET-CVEARBPZSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661035873 453689233 /nfs/dbraw/zinc/68/92/33/453689233.db2.gz BDYZNPDIYZMPET-CVEARBPZSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661035873 453689237 /nfs/dbraw/zinc/68/92/37/453689237.db2.gz BDYZNPDIYZMPET-CVEARBPZSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@]1(C[NH3+])CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000659310792 453710775 /nfs/dbraw/zinc/71/07/75/453710775.db2.gz CXVUVNQKAZJYGW-CYBMUJFWSA-N 2 1 344.278 1.925 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC[C@H]1F ZINC000659389241 453736587 /nfs/dbraw/zinc/73/65/87/453736587.db2.gz QKRAGIKLPNAFAJ-OAGGEKHMSA-N 2 1 337.464 1.674 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@@H]1c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000663250050 453745984 /nfs/dbraw/zinc/74/59/84/453745984.db2.gz AOQXGDSQTYUJAS-HOTGVXAUSA-N 2 1 344.415 1.400 20 0 EDADMP Cc1c[nH]c(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)n1 ZINC000657414604 453783559 /nfs/dbraw/zinc/78/35/59/453783559.db2.gz CRASQWPIDPAQLC-INIZCTEOSA-N 2 1 329.448 1.097 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360593 453799571 /nfs/dbraw/zinc/79/95/71/453799571.db2.gz GMVYTQRILZFIAX-WCVJEAGWSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360593 453799573 /nfs/dbraw/zinc/79/95/73/453799573.db2.gz GMVYTQRILZFIAX-WCVJEAGWSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360593 453799576 /nfs/dbraw/zinc/79/95/76/453799576.db2.gz GMVYTQRILZFIAX-WCVJEAGWSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000661360593 453799578 /nfs/dbraw/zinc/79/95/78/453799578.db2.gz GMVYTQRILZFIAX-WCVJEAGWSA-N 2 1 340.512 1.656 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000663448545 453801094 /nfs/dbraw/zinc/80/10/94/453801094.db2.gz ZWNORNCKMHHQMX-QZTJIDSGSA-N 2 1 332.492 1.943 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000683224585 486661495 /nfs/dbraw/zinc/66/14/95/486661495.db2.gz MNXCEEBEMQKXLX-ROUUACIJSA-N 2 1 326.440 1.942 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000683224585 486661501 /nfs/dbraw/zinc/66/15/01/486661501.db2.gz MNXCEEBEMQKXLX-ROUUACIJSA-N 2 1 326.440 1.942 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000676246095 486706111 /nfs/dbraw/zinc/70/61/11/486706111.db2.gz QROUWSOHXYLFAT-WCVJEAGWSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000676246095 486706114 /nfs/dbraw/zinc/70/61/14/486706114.db2.gz QROUWSOHXYLFAT-WCVJEAGWSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000676246095 486706119 /nfs/dbraw/zinc/70/61/19/486706119.db2.gz QROUWSOHXYLFAT-WCVJEAGWSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000676246095 486706122 /nfs/dbraw/zinc/70/61/22/486706122.db2.gz QROUWSOHXYLFAT-WCVJEAGWSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676290384 486722643 /nfs/dbraw/zinc/72/26/43/486722643.db2.gz YKCZAFZXIHEYGT-RYQLBKOJSA-N 2 1 348.491 1.178 20 0 EDADMP C[C@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676290384 486722644 /nfs/dbraw/zinc/72/26/44/486722644.db2.gz YKCZAFZXIHEYGT-RYQLBKOJSA-N 2 1 348.491 1.178 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)C[C@H]1Cc1ccccc1 ZINC000672754050 486790842 /nfs/dbraw/zinc/79/08/42/486790842.db2.gz LNLQBPKHWJHPGF-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)C[C@H]1Cc1ccccc1 ZINC000672754050 486790849 /nfs/dbraw/zinc/79/08/49/486790849.db2.gz LNLQBPKHWJHPGF-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000672754050 486790851 /nfs/dbraw/zinc/79/08/51/486790851.db2.gz LNLQBPKHWJHPGF-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000672754050 486790860 /nfs/dbraw/zinc/79/08/60/486790860.db2.gz LNLQBPKHWJHPGF-ZWKOTPCHSA-N 2 1 330.476 1.649 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000417176086 486794633 /nfs/dbraw/zinc/79/46/33/486794633.db2.gz KWCLAICDBSWPDN-QZTJIDSGSA-N 2 1 346.475 1.588 20 0 EDADMP C[C@H](O)CN1CCN(C(=O)NCCN2Cc3ccccc3C2)[C@@H](C)C1 ZINC000672781516 486798720 /nfs/dbraw/zinc/79/87/20/486798720.db2.gz KNUSCBRFQHWIKW-HOTGVXAUSA-N 2 1 346.475 1.099 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[C@@H](c1ccccc1)[NH+](C)C ZINC000672961649 486856517 /nfs/dbraw/zinc/85/65/17/486856517.db2.gz JQQSLRBFWPSHFZ-IDCNUPLLSA-N 2 1 348.491 1.696 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[C@@H](c1ccccc1)[NH+](C)C ZINC000672961649 486856522 /nfs/dbraw/zinc/85/65/22/486856522.db2.gz JQQSLRBFWPSHFZ-IDCNUPLLSA-N 2 1 348.491 1.696 20 0 EDADMP C[C@@H]1C[C@@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)C[N@@H+]1C1CC1 ZINC000683943676 486876072 /nfs/dbraw/zinc/87/60/72/486876072.db2.gz PEXMESCGYVKJFQ-CXAGYDPISA-N 2 1 328.460 1.567 20 0 EDADMP C[C@@H]1C[C@@H](Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)C[N@H+]1C1CC1 ZINC000683943676 486876076 /nfs/dbraw/zinc/87/60/76/486876076.db2.gz PEXMESCGYVKJFQ-CXAGYDPISA-N 2 1 328.460 1.567 20 0 EDADMP C[C@@H]1C[C@@H](Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)C[NH+]1C1CC1 ZINC000683943676 486876079 /nfs/dbraw/zinc/87/60/79/486876079.db2.gz PEXMESCGYVKJFQ-CXAGYDPISA-N 2 1 328.460 1.567 20 0 EDADMP C[C@@H]1C[C@@H](Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)C[NH+]1C1CC1 ZINC000683943676 486876084 /nfs/dbraw/zinc/87/60/84/486876084.db2.gz PEXMESCGYVKJFQ-CXAGYDPISA-N 2 1 328.460 1.567 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc(COC)c1 ZINC000680927818 486896010 /nfs/dbraw/zinc/89/60/10/486896010.db2.gz RDBMRLITPICMEC-GOSISDBHSA-N 2 1 348.491 1.716 20 0 EDADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673512683 487030597 /nfs/dbraw/zinc/03/05/97/487030597.db2.gz MAFLENLQXROBCX-RTBURBONSA-N 2 1 343.471 1.564 20 0 EDADMP C[NH+](C)[C@H](CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000667965185 487037256 /nfs/dbraw/zinc/03/72/56/487037256.db2.gz ONANPBIIEXPXNQ-ZWKOTPCHSA-N 2 1 331.460 1.613 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cn1 ZINC000677489214 487101475 /nfs/dbraw/zinc/10/14/75/487101475.db2.gz NRFMXFYAHPDACS-KRWDZBQOSA-N 2 1 342.447 1.753 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cn1 ZINC000677489214 487101478 /nfs/dbraw/zinc/10/14/78/487101478.db2.gz NRFMXFYAHPDACS-KRWDZBQOSA-N 2 1 342.447 1.753 20 0 EDADMP CC(C)(CO)[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000677647867 487140697 /nfs/dbraw/zinc/14/06/97/487140697.db2.gz HQRQFXVCAXNCCR-UHFFFAOYSA-N 2 1 345.487 1.811 20 0 EDADMP C[C@H](NC(=O)N(C)C[C@H]1CCc2[nH+]ccn2C1)C1CC[NH+](C)CC1 ZINC000681872624 487212052 /nfs/dbraw/zinc/21/20/52/487212052.db2.gz BUUAHJGMXBCYIG-LSDHHAIUSA-N 2 1 333.480 1.817 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1 ZINC000678221136 487268549 /nfs/dbraw/zinc/26/85/49/487268549.db2.gz DHBKCTKFOMJZLF-ZWKOTPCHSA-N 2 1 331.460 1.870 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1 ZINC000678221136 487268551 /nfs/dbraw/zinc/26/85/51/487268551.db2.gz DHBKCTKFOMJZLF-ZWKOTPCHSA-N 2 1 331.460 1.870 20 0 EDADMP CC(C)c1cnc(CN(C)[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC000675233567 487391874 /nfs/dbraw/zinc/39/18/74/487391874.db2.gz WUDXNMLTVZPZIW-LSDHHAIUSA-N 2 1 334.464 1.925 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000668942715 485476521 /nfs/dbraw/zinc/47/65/21/485476521.db2.gz MFEZOEOXCQWOSF-GJZGRUSLSA-N 2 1 340.512 1.070 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Cc1ccc(F)cc1 ZINC000669518040 485483038 /nfs/dbraw/zinc/48/30/38/485483038.db2.gz UPAKNEPQBINUJQ-NVXWUHKLSA-N 2 1 334.439 1.651 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000669534036 485512253 /nfs/dbraw/zinc/51/22/53/485512253.db2.gz CCMKJHKMVFDDAT-YVSFHVDLSA-N 2 1 338.496 1.447 20 0 EDADMP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000669570249 485588294 /nfs/dbraw/zinc/58/82/94/485588294.db2.gz FICJAAYBLLLORK-IRXDYDNUSA-N 2 1 348.516 1.655 20 0 EDADMP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000669570249 485588296 /nfs/dbraw/zinc/58/82/96/485588296.db2.gz FICJAAYBLLLORK-IRXDYDNUSA-N 2 1 348.516 1.655 20 0 EDADMP [NH3+]C[C@H]1CCN(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000669570258 485588396 /nfs/dbraw/zinc/58/83/96/485588396.db2.gz GDBWQUFMTFOFCB-SJORKVTESA-N 2 1 348.516 1.594 20 0 EDADMP [NH3+]C[C@H]1CCN(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000669570258 485588401 /nfs/dbraw/zinc/58/84/01/485588401.db2.gz GDBWQUFMTFOFCB-SJORKVTESA-N 2 1 348.516 1.594 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)CCC[N@H+]1C ZINC000669583392 485632520 /nfs/dbraw/zinc/63/25/20/485632520.db2.gz SNEFWQMLNAOUIV-ZMSDIMECSA-N 2 1 348.495 1.244 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000457091534 485651235 /nfs/dbraw/zinc/65/12/35/485651235.db2.gz MWQAKYKEAMBAFJ-INIZCTEOSA-N 2 1 334.464 1.577 20 0 EDADMP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000325478139 485719480 /nfs/dbraw/zinc/71/94/80/485719480.db2.gz BDHFRXFSZDNRNL-AEFFLSMTSA-N 2 1 329.444 1.197 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000669312784 485960204 /nfs/dbraw/zinc/96/02/04/485960204.db2.gz UUSVBJBJEJOANT-CRAIPNDOSA-N 2 1 346.475 1.192 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)CC3([NH3+])CCC3)CC2)oc1C ZINC000237720226 485999951 /nfs/dbraw/zinc/99/99/51/485999951.db2.gz FCYPEZFYSLEBLF-UHFFFAOYSA-N 2 1 334.464 1.891 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC/C=C/C[NH3+])c2)CCO1 ZINC000669412812 486116161 /nfs/dbraw/zinc/11/61/61/486116161.db2.gz QBPTYZRDIHXWAU-FAAWYNLUSA-N 2 1 332.448 1.221 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC/C=C/C[NH3+])c2)CCO1 ZINC000669412812 486116168 /nfs/dbraw/zinc/11/61/68/486116168.db2.gz QBPTYZRDIHXWAU-FAAWYNLUSA-N 2 1 332.448 1.221 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000669418667 486137963 /nfs/dbraw/zinc/13/79/63/486137963.db2.gz XXXSBWVKOXNVIB-YJBOKZPZSA-N 2 1 330.476 1.875 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)NC1CC[NH2+]CC1 ZINC000669420398 486139489 /nfs/dbraw/zinc/13/94/89/486139489.db2.gz LLQLXVOTGWIUNF-KRWDZBQOSA-N 2 1 330.476 1.950 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000669474360 486227880 /nfs/dbraw/zinc/22/78/80/486227880.db2.gz GRTXSEUSPJEKPT-BZUAXINKSA-N 2 1 340.512 1.645 20 0 EDADMP C[NH+](C)CCOc1ccc(CN2CC[N@@H+](CCO)C(C)(C)C2)cc1 ZINC000682166255 486560830 /nfs/dbraw/zinc/56/08/30/486560830.db2.gz KWCKMXLJYZLHAS-UHFFFAOYSA-N 2 1 335.492 1.516 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCN(CCO)C(C)(C)C2)cc1 ZINC000682166255 486560833 /nfs/dbraw/zinc/56/08/33/486560833.db2.gz KWCKMXLJYZLHAS-UHFFFAOYSA-N 2 1 335.492 1.516 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCN(CCO)C(C)(C)C2)cc1 ZINC000682166255 486560837 /nfs/dbraw/zinc/56/08/37/486560837.db2.gz KWCKMXLJYZLHAS-UHFFFAOYSA-N 2 1 335.492 1.516 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000305694235 491243925 /nfs/dbraw/zinc/24/39/25/491243925.db2.gz BRBXAVQTXQLBPC-AYOQOUSVSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H](O)C1CC1 ZINC000305694235 491243926 /nfs/dbraw/zinc/24/39/26/491243926.db2.gz BRBXAVQTXQLBPC-AYOQOUSVSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H](O)C1CC1 ZINC000305694235 491243927 /nfs/dbraw/zinc/24/39/27/491243927.db2.gz BRBXAVQTXQLBPC-AYOQOUSVSA-N 2 1 345.487 1.468 20 0 EDADMP OCCOC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639546561 501084414 /nfs/dbraw/zinc/08/44/14/501084414.db2.gz BUPHWZXKXSWFMD-IBGZPJMESA-N 2 1 334.460 1.097 20 0 EDADMP OCCOC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639546561 501084420 /nfs/dbraw/zinc/08/44/20/501084420.db2.gz BUPHWZXKXSWFMD-IBGZPJMESA-N 2 1 334.460 1.097 20 0 EDADMP COC[C@]1(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CC[NH2+]C1 ZINC000423435379 518094548 /nfs/dbraw/zinc/09/45/48/518094548.db2.gz SNFLOGWAPJOPNN-SFHVURJKSA-N 2 1 332.448 1.101 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000190159554 528066102 /nfs/dbraw/zinc/06/61/02/528066102.db2.gz ZZZXOMKYYQCWHI-UHFFFAOYSA-N 2 1 346.475 1.761 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000190159554 528066105 /nfs/dbraw/zinc/06/61/05/528066105.db2.gz ZZZXOMKYYQCWHI-UHFFFAOYSA-N 2 1 346.475 1.761 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000173997501 528291923 /nfs/dbraw/zinc/29/19/23/528291923.db2.gz HVTYFGNUNMAESM-IRXDYDNUSA-N 2 1 341.544 1.145 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(C[NH3+])cc2)CC1=O ZINC000131457526 529075649 /nfs/dbraw/zinc/07/56/49/529075649.db2.gz VEOPLLUXGANNOL-NVXWUHKLSA-N 2 1 344.459 1.417 20 0 EDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)C1 ZINC000271727416 534957499 /nfs/dbraw/zinc/95/74/99/534957499.db2.gz BNVYPJXCQJZSEI-UONOGXRCSA-N 2 1 325.478 1.717 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)C1 ZINC000271727416 534957502 /nfs/dbraw/zinc/95/75/02/534957502.db2.gz BNVYPJXCQJZSEI-UONOGXRCSA-N 2 1 325.478 1.717 20 0 EDADMP CCCC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000236838041 535048507 /nfs/dbraw/zinc/04/85/07/535048507.db2.gz KOIRFSVZLRIJCX-CVEARBPZSA-N 2 1 333.480 1.226 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC23CC[NH2+]CC3)[C@H](C)C1 ZINC000261927814 535522713 /nfs/dbraw/zinc/52/27/13/535522713.db2.gz KIYVPTSXDXEIHH-ZACQAIPSSA-N 2 1 337.508 1.629 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000347831311 535545466 /nfs/dbraw/zinc/54/54/66/535545466.db2.gz NQWSTILONHHZHI-OAHLLOKOSA-N 2 1 337.468 1.103 20 0 EDADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000236873648 535557010 /nfs/dbraw/zinc/55/70/10/535557010.db2.gz FMKHDABHQXWCRM-OAHLLOKOSA-N 2 1 337.489 1.686 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COCc1cccnc1 ZINC000352824629 535591951 /nfs/dbraw/zinc/59/19/51/535591951.db2.gz ABTTVKVDLJWTIR-SFHVURJKSA-N 2 1 348.491 1.473 20 0 EDADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCO1 ZINC000346694770 535896084 /nfs/dbraw/zinc/89/60/84/535896084.db2.gz WDKHDIVKYTVZAQ-BRSBDYLESA-N 2 1 337.508 1.772 20 0 EDADMP CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550828 536003898 /nfs/dbraw/zinc/00/38/98/536003898.db2.gz PSUASASBGXYJNB-SJORKVTESA-N 2 1 333.501 1.814 20 0 EDADMP COc1ccc([C@H]2[C@@H](CNC(=O)NCC[NH+](C)C)CCC[N@H+]2C)cc1 ZINC000133693969 536946734 /nfs/dbraw/zinc/94/67/34/536946734.db2.gz OIPOAJPDIFXXFR-AEFFLSMTSA-N 2 1 348.491 1.939 20 0 EDADMP CC[N@@H+](CCCO)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000743869123 579493003 /nfs/dbraw/zinc/49/30/03/579493003.db2.gz LPXUOESZERGTAB-UHFFFAOYSA-N 2 1 348.491 1.471 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3CO)cc2)CC1 ZINC000725796897 578282348 /nfs/dbraw/zinc/28/23/48/578282348.db2.gz QUDFBTIKZORSPC-GOSISDBHSA-N 2 1 346.475 1.224 20 0 EDADMP O=C(CCCC[NH+]1CCCC1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000729347160 578564577 /nfs/dbraw/zinc/56/45/77/578564577.db2.gz NKCSUWAPFIIWCH-SFHVURJKSA-N 2 1 337.508 1.966 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760495799 580032109 /nfs/dbraw/zinc/03/21/09/580032109.db2.gz JQZBDPNUWRPWLW-INIZCTEOSA-N 2 1 326.554 1.770 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC000732782396 578728190 /nfs/dbraw/zinc/72/81/90/578728190.db2.gz YKQDBGXUZCAOMY-QGZVFWFLSA-N 2 1 336.524 1.537 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC000732782396 578728192 /nfs/dbraw/zinc/72/81/92/578728192.db2.gz YKQDBGXUZCAOMY-QGZVFWFLSA-N 2 1 336.524 1.537 20 0 EDADMP Cc1nc2c(cnn2C)c(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000733893978 578789035 /nfs/dbraw/zinc/78/90/35/578789035.db2.gz RGBRAQITGVNHFY-HNNXBMFYSA-N 2 1 343.479 1.276 20 0 EDADMP Cc1nc2c(cnn2C)c(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000733893978 578789036 /nfs/dbraw/zinc/78/90/36/578789036.db2.gz RGBRAQITGVNHFY-HNNXBMFYSA-N 2 1 343.479 1.276 20 0 EDADMP C[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[N@@H+](C)C1CC1 ZINC000734275113 578804293 /nfs/dbraw/zinc/80/42/93/578804293.db2.gz OVUPBJZLMJPZSX-RHSMWYFYSA-N 2 1 338.496 1.412 20 0 EDADMP COc1ccc(COC[C@@H](O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000735870602 578934621 /nfs/dbraw/zinc/93/46/21/578934621.db2.gz MVTHMWSWKYVLIQ-ROUUACIJSA-N 2 1 336.476 1.846 20 0 EDADMP COc1ccc(COC[C@@H](O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000735870602 578934623 /nfs/dbraw/zinc/93/46/23/578934623.db2.gz MVTHMWSWKYVLIQ-ROUUACIJSA-N 2 1 336.476 1.846 20 0 EDADMP COc1ccc(COC[C@@H](O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000735870602 578934624 /nfs/dbraw/zinc/93/46/24/578934624.db2.gz MVTHMWSWKYVLIQ-ROUUACIJSA-N 2 1 336.476 1.846 20 0 EDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736759844 579018315 /nfs/dbraw/zinc/01/83/15/579018315.db2.gz XPBTZDHKOJRALO-CYBMUJFWSA-N 2 1 343.435 1.079 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000745733739 579560164 /nfs/dbraw/zinc/56/01/64/579560164.db2.gz BGNGFQBVIJUNRS-BBRMVZONSA-N 2 1 342.447 1.858 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000745733739 579560165 /nfs/dbraw/zinc/56/01/65/579560165.db2.gz BGNGFQBVIJUNRS-BBRMVZONSA-N 2 1 342.447 1.858 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)N[C@H](C)COC ZINC000751011371 579791213 /nfs/dbraw/zinc/79/12/13/579791213.db2.gz OPGZPTPRHFBZRK-CABCVRRESA-N 2 1 330.542 1.244 20 0 EDADMP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000754784536 579912030 /nfs/dbraw/zinc/91/20/30/579912030.db2.gz FREGKDQTUPYSGU-IAGOWNOFSA-N 2 1 337.489 1.322 20 0 EDADMP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000754784536 579912031 /nfs/dbraw/zinc/91/20/31/579912031.db2.gz FREGKDQTUPYSGU-IAGOWNOFSA-N 2 1 337.489 1.322 20 0 EDADMP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000763058093 580091349 /nfs/dbraw/zinc/09/13/49/580091349.db2.gz XPXWHBXUOFTIGD-FUHWJXTLSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000763058093 580091350 /nfs/dbraw/zinc/09/13/50/580091350.db2.gz XPXWHBXUOFTIGD-FUHWJXTLSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[C@]1(C)NC(=O)N(C[NH+]2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000766382376 580165802 /nfs/dbraw/zinc/16/58/02/580165802.db2.gz QNZFOKMKVIYOIQ-SFHVURJKSA-N 2 1 338.496 1.964 20 0 EDADMP CCNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000772976505 580324559 /nfs/dbraw/zinc/32/45/59/580324559.db2.gz HDJHKOBEWRVWIL-DOTOQJQBSA-N 2 1 339.505 1.426 20 0 EDADMP CCNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000772976505 580324560 /nfs/dbraw/zinc/32/45/60/580324560.db2.gz HDJHKOBEWRVWIL-DOTOQJQBSA-N 2 1 339.505 1.426 20 0 EDADMP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC000775984540 580405757 /nfs/dbraw/zinc/40/57/57/580405757.db2.gz VRPUBHNYZXGYRZ-LJQANCHMSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC000775984540 580405758 /nfs/dbraw/zinc/40/57/58/580405758.db2.gz VRPUBHNYZXGYRZ-LJQANCHMSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000776637869 580425069 /nfs/dbraw/zinc/42/50/69/580425069.db2.gz HDHISAPHJCSIAO-JSNVTFDYSA-N 2 1 343.471 1.993 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000788894655 580731939 /nfs/dbraw/zinc/73/19/39/580731939.db2.gz RWSUJISEBRDKIN-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000788894655 580731940 /nfs/dbraw/zinc/73/19/40/580731940.db2.gz RWSUJISEBRDKIN-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000791931976 580805623 /nfs/dbraw/zinc/80/56/23/580805623.db2.gz SKKVTXSVEHDNNJ-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000791931976 580805624 /nfs/dbraw/zinc/80/56/24/580805624.db2.gz SKKVTXSVEHDNNJ-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000791931977 580805637 /nfs/dbraw/zinc/80/56/37/580805637.db2.gz SKKVTXSVEHDNNJ-QGZVFWFLSA-N 2 1 325.497 1.820 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000791931977 580805638 /nfs/dbraw/zinc/80/56/38/580805638.db2.gz SKKVTXSVEHDNNJ-QGZVFWFLSA-N 2 1 325.497 1.820 20 0 EDADMP C[NH+](C)CCNC(=S)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000795002462 580910418 /nfs/dbraw/zinc/91/04/18/580910418.db2.gz ARAOFUXDUVYZED-CALCHBBNSA-N 2 1 332.517 1.486 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000909397159 590942021 /nfs/dbraw/zinc/94/20/21/590942021.db2.gz OGPFJXQLFCHPGI-IAGOWNOFSA-N 2 1 336.524 1.536 20 0 EDADMP CCC[C@@H]1CN(C(=O)N2C3CCC2(C[NH3+])CC3)CC[N@H+]1CCOC ZINC000892463624 591036650 /nfs/dbraw/zinc/03/66/50/591036650.db2.gz LROCWRXDWIIHIU-UPTPFMHGSA-N 2 1 338.496 1.495 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000892484356 591044211 /nfs/dbraw/zinc/04/42/11/591044211.db2.gz HWJSIWROSYQURA-HUUCEWRRSA-N 2 1 340.512 1.251 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N3CC[C@@](C)(C[NH3+])C3)C2)cc1 ZINC000892530692 591060856 /nfs/dbraw/zinc/06/08/56/591060856.db2.gz VDIFFQJZEJHQKC-MJGOQNOKSA-N 2 1 330.476 1.950 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC3(C[NH3+])CCOCC3)C2)cc1 ZINC000892530167 591061417 /nfs/dbraw/zinc/06/14/17/591061417.db2.gz JWLMHTBNLAPNIY-KRWDZBQOSA-N 2 1 346.475 1.376 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891495167 591094399 /nfs/dbraw/zinc/09/43/99/591094399.db2.gz WQRAYFLMEYABPN-NSHDSACASA-N 2 1 325.482 1.400 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891540181 591117327 /nfs/dbraw/zinc/11/73/27/591117327.db2.gz MEEGQRCWGFNOBZ-UPJWGTAASA-N 2 1 336.402 1.639 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000891583332 591135387 /nfs/dbraw/zinc/13/53/87/591135387.db2.gz LUHWWOXFDMUKEG-CRAIPNDOSA-N 2 1 340.512 1.361 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC(C)(C)[NH3+] ZINC000891592210 591139190 /nfs/dbraw/zinc/13/91/90/591139190.db2.gz BXZUCJAZJHWEBX-INIZCTEOSA-N 2 1 347.507 1.624 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891597197 591142017 /nfs/dbraw/zinc/14/20/17/591142017.db2.gz MGUBEEKQNRUMSN-STQMWFEESA-N 2 1 347.385 1.750 20 0 EDADMP CN(C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000892776449 591171939 /nfs/dbraw/zinc/17/19/39/591171939.db2.gz OBFCOTPPIRLKII-CVEARBPZSA-N 2 1 336.480 1.023 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]21 ZINC000892792614 591177802 /nfs/dbraw/zinc/17/78/02/591177802.db2.gz PRTWAGIXIKBKQO-KURKYZTESA-N 2 1 328.460 1.437 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892802392 591187050 /nfs/dbraw/zinc/18/70/50/591187050.db2.gz FKYMBCRXHCXDRE-MAUKXSAKSA-N 2 1 330.476 1.684 20 0 EDADMP CN(C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000892809073 591187792 /nfs/dbraw/zinc/18/77/92/591187792.db2.gz RWILNYORSASMMG-FUHWJXTLSA-N 2 1 328.460 1.579 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)[NH+]1CCOCC1 ZINC000891740820 591206311 /nfs/dbraw/zinc/20/63/11/591206311.db2.gz YVTVWFHKKPSJNN-ULQDDVLXSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C)[NH+]1CCOCC1 ZINC000891740820 591206315 /nfs/dbraw/zinc/20/63/15/591206315.db2.gz YVTVWFHKKPSJNN-ULQDDVLXSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@@H](C)O1 ZINC000895874927 591292135 /nfs/dbraw/zinc/29/21/35/591292135.db2.gz KEXNARYIFRKYSF-NCOADZHNSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C[C@@H](C)O1 ZINC000895874927 591292137 /nfs/dbraw/zinc/29/21/37/591292137.db2.gz KEXNARYIFRKYSF-NCOADZHNSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000897475922 591479091 /nfs/dbraw/zinc/47/90/91/591479091.db2.gz FXNFBYBDIJRJBS-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP CSC1(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)CC[NH+](C)CC1 ZINC000894953275 591498533 /nfs/dbraw/zinc/49/85/33/591498533.db2.gz GOZCRESIRXHVSU-UONOGXRCSA-N 2 1 326.510 1.159 20 0 EDADMP CN1CCC[C@@H]1c1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[nH]n1 ZINC000897577490 591564824 /nfs/dbraw/zinc/56/48/24/591564824.db2.gz XLVXWXOMZYIHPF-RHSMWYFYSA-N 2 1 331.464 1.923 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000897604101 591580405 /nfs/dbraw/zinc/58/04/05/591580405.db2.gz KNUOTJSZLIQQDY-UHFFFAOYSA-N 2 1 349.479 1.032 20 0 EDADMP CC[N@@H+](CCC(N)=O)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000896707414 591581727 /nfs/dbraw/zinc/58/17/27/591581727.db2.gz RPQAHMDWOCWNFG-UHFFFAOYSA-N 2 1 343.374 1.767 20 0 EDADMP Cc1nc2ccccn2c1CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000898961633 591618006 /nfs/dbraw/zinc/61/80/06/591618006.db2.gz IEJKUCKOKFBBHZ-GOEBONIOSA-N 2 1 327.432 1.878 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000898990120 591627215 /nfs/dbraw/zinc/62/72/15/591627215.db2.gz YJEQUVFRWSAPKK-BBWFWOEESA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](CC[NH2+]Cc1ccc(OCCN2CCOCC2)cc1)[NH+](C)C ZINC000895290554 591704229 /nfs/dbraw/zinc/70/42/29/591704229.db2.gz LZHOPQOVEDOXQR-QGZVFWFLSA-N 2 1 335.492 1.827 20 0 EDADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n[nH]1 ZINC000897015725 591712597 /nfs/dbraw/zinc/71/25/97/591712597.db2.gz BNGJKHDJWWMNEX-KBRIMQKVSA-N 2 1 331.464 1.733 20 0 EDADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n[nH]1 ZINC000897015725 591712600 /nfs/dbraw/zinc/71/26/00/591712600.db2.gz BNGJKHDJWWMNEX-KBRIMQKVSA-N 2 1 331.464 1.733 20 0 EDADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n[nH]1 ZINC000897015725 591712602 /nfs/dbraw/zinc/71/26/02/591712602.db2.gz BNGJKHDJWWMNEX-KBRIMQKVSA-N 2 1 331.464 1.733 20 0 EDADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n[nH]1 ZINC000897015725 591712607 /nfs/dbraw/zinc/71/26/07/591712607.db2.gz BNGJKHDJWWMNEX-KBRIMQKVSA-N 2 1 331.464 1.733 20 0 EDADMP CC(C)(C)OCCCN1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000899224138 591741354 /nfs/dbraw/zinc/74/13/54/591741354.db2.gz VGIXSCUSUBYWLG-HUUCEWRRSA-N 2 1 334.464 1.863 20 0 EDADMP CC(C)(C)OCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC000899224138 591741356 /nfs/dbraw/zinc/74/13/56/591741356.db2.gz VGIXSCUSUBYWLG-HUUCEWRRSA-N 2 1 334.464 1.863 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCCc2nnnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000898040017 591765778 /nfs/dbraw/zinc/76/57/78/591765778.db2.gz MOBMYLQMTVZYMH-NVXWUHKLSA-N 2 1 328.464 1.785 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCCc2nnnn2C)CC[N@H+]1Cc1ccccc1 ZINC000898040017 591765780 /nfs/dbraw/zinc/76/57/80/591765780.db2.gz MOBMYLQMTVZYMH-NVXWUHKLSA-N 2 1 328.464 1.785 20 0 EDADMP CCCCNc1cc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)nc(N)n1 ZINC000897220437 591775739 /nfs/dbraw/zinc/77/57/39/591775739.db2.gz BFUTUMNJYTXFDV-KGLIPLIRSA-N 2 1 334.468 1.306 20 0 EDADMP CC(C)C[C@H](NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)C(=O)NCC[NH+](C)C ZINC000897240574 591783841 /nfs/dbraw/zinc/78/38/41/591783841.db2.gz LNOADXNOOVNLCI-LSDHHAIUSA-N 2 1 340.512 1.068 20 0 EDADMP CC(C)C[C@H](NC(=O)[C@H]1CC[N@H+]1C(C)(C)C)C(=O)NCC[NH+](C)C ZINC000897240574 591783844 /nfs/dbraw/zinc/78/38/44/591783844.db2.gz LNOADXNOOVNLCI-LSDHHAIUSA-N 2 1 340.512 1.068 20 0 EDADMP CCc1ccc([C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)[NH+](C)C)cc1 ZINC000900013093 591862567 /nfs/dbraw/zinc/86/25/67/591862567.db2.gz GWPUYVNFRDFDNE-ZIFCJYIRSA-N 2 1 333.476 1.423 20 0 EDADMP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000900045756 591881610 /nfs/dbraw/zinc/88/16/10/591881610.db2.gz XSNHFBQBAHPIEU-FQEVSTJZSA-N 2 1 345.487 1.220 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000900045756 591881614 /nfs/dbraw/zinc/88/16/14/591881614.db2.gz XSNHFBQBAHPIEU-FQEVSTJZSA-N 2 1 345.487 1.220 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000900159105 591920878 /nfs/dbraw/zinc/92/08/78/591920878.db2.gz AOMAEUHCOBEXDF-IEBWSBKVSA-N 2 1 331.460 1.006 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000900159105 591920881 /nfs/dbraw/zinc/92/08/81/591920881.db2.gz AOMAEUHCOBEXDF-IEBWSBKVSA-N 2 1 331.460 1.006 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000900159105 591920883 /nfs/dbraw/zinc/92/08/83/591920883.db2.gz AOMAEUHCOBEXDF-IEBWSBKVSA-N 2 1 331.460 1.006 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900245021 591953166 /nfs/dbraw/zinc/95/31/66/591953166.db2.gz GBFANGVTIHFDPS-UYAOXDASSA-N 2 1 345.487 1.531 20 0 EDADMP [NH3+]C[C@@H]1CC2(CO1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC000900366063 591997758 /nfs/dbraw/zinc/99/77/58/591997758.db2.gz RROABKLGLLGEFR-HNNXBMFYSA-N 2 1 331.464 1.801 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)[NH+]2CCCC2)o1 ZINC000900491746 592032732 /nfs/dbraw/zinc/03/27/32/592032732.db2.gz LQMARGHPDFCPLB-VQIMIIECSA-N 2 1 349.475 1.688 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900523234 592036309 /nfs/dbraw/zinc/03/63/09/592036309.db2.gz OOUJRAQIAGGWBL-QGZVFWFLSA-N 2 1 326.529 1.639 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000900523234 592036311 /nfs/dbraw/zinc/03/63/11/592036311.db2.gz OOUJRAQIAGGWBL-QGZVFWFLSA-N 2 1 326.529 1.639 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000900523234 592036312 /nfs/dbraw/zinc/03/63/12/592036312.db2.gz OOUJRAQIAGGWBL-QGZVFWFLSA-N 2 1 326.529 1.639 20 0 EDADMP CCOC(=O)[C@@H]1CCCN(CC(=O)NC[C@H]2CCCC[N@H+]2CC)C1 ZINC000900660226 592084099 /nfs/dbraw/zinc/08/40/99/592084099.db2.gz RXDBLNGHORAYHY-HZPDHXFCSA-N 2 1 339.480 1.252 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)oc1C ZINC000900667201 592086337 /nfs/dbraw/zinc/08/63/37/592086337.db2.gz BKVNLRWWDASNMA-UHFFFAOYSA-N 2 1 346.475 1.715 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)CC1 ZINC000900745078 592116032 /nfs/dbraw/zinc/11/60/32/592116032.db2.gz IWDKEKVMZZWZAG-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903085509 592117624 /nfs/dbraw/zinc/11/76/24/592117624.db2.gz DHTCEPURGGHMIZ-DQXYTYHJSA-N 2 1 348.535 1.677 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903085509 592117627 /nfs/dbraw/zinc/11/76/27/592117627.db2.gz DHTCEPURGGHMIZ-DQXYTYHJSA-N 2 1 348.535 1.677 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903085509 592117629 /nfs/dbraw/zinc/11/76/29/592117629.db2.gz DHTCEPURGGHMIZ-DQXYTYHJSA-N 2 1 348.535 1.677 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903085509 592117631 /nfs/dbraw/zinc/11/76/31/592117631.db2.gz DHTCEPURGGHMIZ-DQXYTYHJSA-N 2 1 348.535 1.677 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903085509 592117635 /nfs/dbraw/zinc/11/76/35/592117635.db2.gz DHTCEPURGGHMIZ-DQXYTYHJSA-N 2 1 348.535 1.677 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000900821282 592137281 /nfs/dbraw/zinc/13/72/81/592137281.db2.gz MUWRQQJTYZZLAN-BZUAXINKSA-N 2 1 339.480 1.060 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000900821282 592137284 /nfs/dbraw/zinc/13/72/84/592137284.db2.gz MUWRQQJTYZZLAN-BZUAXINKSA-N 2 1 339.480 1.060 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000900821282 592137287 /nfs/dbraw/zinc/13/72/87/592137287.db2.gz MUWRQQJTYZZLAN-BZUAXINKSA-N 2 1 339.480 1.060 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000900821282 592137290 /nfs/dbraw/zinc/13/72/90/592137290.db2.gz MUWRQQJTYZZLAN-BZUAXINKSA-N 2 1 339.480 1.060 20 0 EDADMP COc1cc(OC)cc(-n2nnnc2C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903441001 592170132 /nfs/dbraw/zinc/17/01/32/592170132.db2.gz GETXKILLGGOADW-OLZOCXBDSA-N 2 1 346.435 1.239 20 0 EDADMP COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903441001 592170134 /nfs/dbraw/zinc/17/01/34/592170134.db2.gz GETXKILLGGOADW-OLZOCXBDSA-N 2 1 346.435 1.239 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903485132 592178100 /nfs/dbraw/zinc/17/81/00/592178100.db2.gz IVBZTSWZSZACCB-OAHLLOKOSA-N 2 1 330.432 1.378 20 0 EDADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906649492 592234139 /nfs/dbraw/zinc/23/41/39/592234139.db2.gz DXSYKITUBMZOAN-INIZCTEOSA-N 2 1 346.475 1.618 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906649492 592234143 /nfs/dbraw/zinc/23/41/43/592234143.db2.gz DXSYKITUBMZOAN-INIZCTEOSA-N 2 1 346.475 1.618 20 0 EDADMP CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904384493 592246920 /nfs/dbraw/zinc/24/69/20/592246920.db2.gz LPSNCZLRBRYXQT-NVXWUHKLSA-N 2 1 335.452 1.191 20 0 EDADMP CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904384493 592246921 /nfs/dbraw/zinc/24/69/21/592246921.db2.gz LPSNCZLRBRYXQT-NVXWUHKLSA-N 2 1 335.452 1.191 20 0 EDADMP [NH3+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000906665688 592248039 /nfs/dbraw/zinc/24/80/39/592248039.db2.gz CITSMLZCYTUTJO-OAHLLOKOSA-N 2 1 330.432 1.217 20 0 EDADMP C[C@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000901138862 592255457 /nfs/dbraw/zinc/25/54/57/592255457.db2.gz DDWAVIBAWPEFMN-XJKSGUPXSA-N 2 1 330.432 1.740 20 0 EDADMP C[C@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000901138862 592255461 /nfs/dbraw/zinc/25/54/61/592255461.db2.gz DDWAVIBAWPEFMN-XJKSGUPXSA-N 2 1 330.432 1.740 20 0 EDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCn3ncc(I)c3C2)C1 ZINC000904433063 592256127 /nfs/dbraw/zinc/25/61/27/592256127.db2.gz JVJWRHMWSJONEV-DTORHVGOSA-N 2 1 332.189 1.041 20 0 EDADMP O=C(c1ccccc1)N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903717657 592280605 /nfs/dbraw/zinc/28/06/05/592280605.db2.gz CTLBKBQVOPTRGZ-PKOBYXMFSA-N 2 1 329.444 1.213 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903739018 592300536 /nfs/dbraw/zinc/30/05/36/592300536.db2.gz AVVDHCVQVMLRHW-WMZOPIPTSA-N 3 1 339.524 1.170 20 0 EDADMP FC(F)C(F)(F)CN1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903740175 592303295 /nfs/dbraw/zinc/30/32/95/592303295.db2.gz SNLZEMUITGCPIA-TZMCWYRMSA-N 2 1 339.377 1.273 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C(=O)OC)c3cccnc23)C[C@H]1C[NH3+] ZINC000903767180 592309732 /nfs/dbraw/zinc/30/97/32/592309732.db2.gz DZXUFSBEHMDYDV-RHSMWYFYSA-N 2 1 343.427 1.817 20 0 EDADMP O=C1[C@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000903767232 592310003 /nfs/dbraw/zinc/31/00/03/592310003.db2.gz FYCXHDBUNLOUHE-KURKYZTESA-N 2 1 341.455 1.493 20 0 EDADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)C2(C[NH3+])CCOCC2)c1C ZINC000903810161 592330722 /nfs/dbraw/zinc/33/07/22/592330722.db2.gz ZSWVSJCJDQQGAZ-QGZVFWFLSA-N 2 1 336.476 1.791 20 0 EDADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)C2(C[NH3+])CCOCC2)c1C ZINC000903810161 592330725 /nfs/dbraw/zinc/33/07/25/592330725.db2.gz ZSWVSJCJDQQGAZ-QGZVFWFLSA-N 2 1 336.476 1.791 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCN(Cc3ccccc3)CC1)C2 ZINC000903843469 592343249 /nfs/dbraw/zinc/34/32/49/592343249.db2.gz LMUBICVSKABUNN-FHWLQOOXSA-N 2 1 342.487 1.142 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCN(Cc3ccccc3)CC1)C2 ZINC000903843469 592343255 /nfs/dbraw/zinc/34/32/55/592343255.db2.gz LMUBICVSKABUNN-FHWLQOOXSA-N 2 1 342.487 1.142 20 0 EDADMP Cc1cnn([C@@H]2CCC[N@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)c1 ZINC000903893279 592365830 /nfs/dbraw/zinc/36/58/30/592365830.db2.gz UIXILZNTAGNSKJ-FUHWJXTLSA-N 2 1 330.480 1.688 20 0 EDADMP CC(C)([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccccc1 ZINC000903899766 592370115 /nfs/dbraw/zinc/37/01/15/592370115.db2.gz UKQHHXJDFYPHBZ-OAHLLOKOSA-N 2 1 342.447 1.710 20 0 EDADMP O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903937583 592388000 /nfs/dbraw/zinc/38/80/00/592388000.db2.gz NQVUGPNUVCEQFJ-SELLCIIESA-N 2 1 349.519 1.649 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)C3(O)CCC3)c2)CCO1 ZINC000905059766 592396532 /nfs/dbraw/zinc/39/65/32/592396532.db2.gz HYPNGUHJZOKZNR-MAUKXSAKSA-N 2 1 334.460 1.273 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)C3(O)CCC3)c2)CCO1 ZINC000905059766 592396538 /nfs/dbraw/zinc/39/65/38/592396538.db2.gz HYPNGUHJZOKZNR-MAUKXSAKSA-N 2 1 334.460 1.273 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)C3(O)CCCC3)c2)CCO1 ZINC000905062359 592397699 /nfs/dbraw/zinc/39/76/99/592397699.db2.gz XJMOPKCFXGSEEF-VQIMIIECSA-N 2 1 348.487 1.663 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cn3cccc(F)c3n1)C2 ZINC000903978211 592399510 /nfs/dbraw/zinc/39/95/10/592399510.db2.gz ADFMNVWHXQMKSA-JKDFXYPNSA-N 2 1 332.379 1.186 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1(O)CCC1 ZINC000905208492 592465613 /nfs/dbraw/zinc/46/56/13/592465613.db2.gz KPKUBRIXIWJGFL-FCGDIQPGSA-N 2 1 330.472 1.763 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)CC2(O)CCCCC2)CC1(C)C ZINC000905249453 592476786 /nfs/dbraw/zinc/47/67/86/592476786.db2.gz YVIOODFVXOJXRZ-MRXNPFEDSA-N 2 1 327.513 1.048 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1)C[NH+]1CCCCC1 ZINC000905369950 592517614 /nfs/dbraw/zinc/51/76/14/592517614.db2.gz BSWWAWCESXAYKO-IPMKNSEASA-N 2 1 336.476 1.298 20 0 EDADMP OC[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Cc1ccoc1 ZINC000905416293 592524686 /nfs/dbraw/zinc/52/46/86/592524686.db2.gz AIJMFQWHQVYDOZ-PMACEKPBSA-N 2 1 344.455 1.657 20 0 EDADMP OC[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cc1ccoc1 ZINC000905416293 592524687 /nfs/dbraw/zinc/52/46/87/592524687.db2.gz AIJMFQWHQVYDOZ-PMACEKPBSA-N 2 1 344.455 1.657 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(c1cc[nH+]cc1Br)C2 ZINC000905695716 592625550 /nfs/dbraw/zinc/62/55/50/592625550.db2.gz QLLMRRRKWHAWLZ-RBZYPMLTSA-N 2 1 340.221 1.561 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C[C@]1(O)CCOC1 ZINC000905870130 592662308 /nfs/dbraw/zinc/66/23/08/592662308.db2.gz FQPUKSWDAYFBSP-RBUKOAKNSA-N 2 1 334.460 1.143 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000905883948 592667422 /nfs/dbraw/zinc/66/74/22/592667422.db2.gz LRGGKUDFFXHCMQ-IBGZPJMESA-N 2 1 344.503 1.433 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CCC1 ZINC000908936193 592672341 /nfs/dbraw/zinc/67/23/41/592672341.db2.gz KPMKRZCNXWZIDP-HKUYNNGSSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CCC1 ZINC000908936193 592672342 /nfs/dbraw/zinc/67/23/42/592672342.db2.gz KPMKRZCNXWZIDP-HKUYNNGSSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CCC1 ZINC000908936193 592672345 /nfs/dbraw/zinc/67/23/45/592672345.db2.gz KPMKRZCNXWZIDP-HKUYNNGSSA-N 2 1 345.487 1.612 20 0 EDADMP O=C(Nc1ccccc1)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000909005710 592692735 /nfs/dbraw/zinc/69/27/35/592692735.db2.gz APFBOZPKSBBIFW-GOSISDBHSA-N 2 1 331.460 1.794 20 0 EDADMP CC[NH2+]CCCNC(=O)[C@H]([NH3+])c1cc(Br)ccc1OC ZINC000911686974 592982063 /nfs/dbraw/zinc/98/20/63/592982063.db2.gz AMVWSOFKBGQMBJ-CYBMUJFWSA-N 2 1 344.253 1.573 20 0 EDADMP C[NH+](C)C1(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)CC1 ZINC000911735107 592992805 /nfs/dbraw/zinc/99/28/05/592992805.db2.gz FMGYXWUHVYGFSL-UHFFFAOYSA-N 2 1 331.416 1.628 20 0 EDADMP CSc1nccnc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000888378809 593039098 /nfs/dbraw/zinc/03/90/98/593039098.db2.gz ACKLAINXFFDKIN-UHFFFAOYSA-N 2 1 344.444 1.598 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)COC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000805611350 593114120 /nfs/dbraw/zinc/11/41/20/593114120.db2.gz QRVCEASLHYUJBI-UHFFFAOYSA-N 2 1 339.480 1.393 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030741 593395061 /nfs/dbraw/zinc/39/50/61/593395061.db2.gz MNCWDXWMCOUHFD-GLJHEFQWSA-N 2 1 345.487 1.781 20 0 EDADMP CCOC(C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1)OCC ZINC000817285217 593589101 /nfs/dbraw/zinc/58/91/01/593589101.db2.gz HNGFTTOPAQLSMY-UHFFFAOYSA-N 2 1 327.513 1.878 20 0 EDADMP CCn1nc(C)c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000815097408 593614721 /nfs/dbraw/zinc/61/47/21/593614721.db2.gz CCCRYWSVUHFGQZ-UHFFFAOYSA-N 2 1 329.408 1.006 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)c2ccccc2Cl)CC1 ZINC000819061279 593736543 /nfs/dbraw/zinc/73/65/43/593736543.db2.gz KKCNZZMNWNMANA-HNNXBMFYSA-N 2 1 325.840 1.127 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccc(F)cc1 ZINC000819062826 593736750 /nfs/dbraw/zinc/73/67/50/593736750.db2.gz UUBICRWRWKJWBP-OALUTQOASA-N 2 1 336.451 1.962 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000819250616 593746704 /nfs/dbraw/zinc/74/67/04/593746704.db2.gz BXFZSPYJDDKBPG-IIAWOOMASA-N 2 1 341.496 1.867 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000819250616 593746705 /nfs/dbraw/zinc/74/67/05/593746705.db2.gz BXFZSPYJDDKBPG-IIAWOOMASA-N 2 1 341.496 1.867 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)cn1 ZINC000824094569 593928208 /nfs/dbraw/zinc/92/82/08/593928208.db2.gz IYSLVPXNNMFJKY-MWDXBVQZSA-N 2 1 347.507 1.300 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(C[NH+]2CCCCC2)o1 ZINC000820990256 593937537 /nfs/dbraw/zinc/93/75/37/593937537.db2.gz MBSKSVHGGJBRRV-INIZCTEOSA-N 2 1 349.475 1.842 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000821160504 593979451 /nfs/dbraw/zinc/97/94/51/593979451.db2.gz MBBDNVSPXSNBIK-CQSZACIVSA-N 2 1 339.447 1.893 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000821160504 593979452 /nfs/dbraw/zinc/97/94/52/593979452.db2.gz MBBDNVSPXSNBIK-CQSZACIVSA-N 2 1 339.447 1.893 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000821160504 593979453 /nfs/dbraw/zinc/97/94/53/593979453.db2.gz MBBDNVSPXSNBIK-CQSZACIVSA-N 2 1 339.447 1.893 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000821160504 593979455 /nfs/dbraw/zinc/97/94/55/593979455.db2.gz MBBDNVSPXSNBIK-CQSZACIVSA-N 2 1 339.447 1.893 20 0 EDADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000824584787 594042782 /nfs/dbraw/zinc/04/27/82/594042782.db2.gz HFWHWWAUFPMDCD-YOEHRIQHSA-N 2 1 344.463 1.754 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000826629512 594543237 /nfs/dbraw/zinc/54/32/37/594543237.db2.gz UZBXQOCUCZKKSU-VVLHAWIVSA-N 2 1 340.512 1.610 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831171383 594574117 /nfs/dbraw/zinc/57/41/17/594574117.db2.gz CLQMYCXWXUJJDC-OAHLLOKOSA-N 2 1 340.431 1.517 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000840754690 594815139 /nfs/dbraw/zinc/81/51/39/594815139.db2.gz OCATWUBQSSDCGR-QGZVFWFLSA-N 2 1 326.554 1.866 20 0 EDADMP [NH3+]CCOc1cccc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000841287586 594881799 /nfs/dbraw/zinc/88/17/99/594881799.db2.gz FDDNZZOFBNZRJS-GOEBONIOSA-N 2 1 334.420 1.009 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000841722418 594943590 /nfs/dbraw/zinc/94/35/90/594943590.db2.gz NSGKAJISHXCHGD-CVEARBPZSA-N 2 1 342.447 1.892 20 0 EDADMP C[C@]1(CNC(=O)N[C@H]2CCC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841896843 594976363 /nfs/dbraw/zinc/97/63/63/594976363.db2.gz RUYJBFRHFHVHGV-PKOBYXMFSA-N 2 1 330.476 1.950 20 0 EDADMP CC(C)C[C@H]([NH3+])c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000843206025 595034893 /nfs/dbraw/zinc/03/48/93/595034893.db2.gz AKLIPVXVAVQGPJ-AWEZNQCLSA-N 2 1 330.436 1.929 20 0 EDADMP C[C@@H]([NH2+]C1CC1)c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000843207816 595035933 /nfs/dbraw/zinc/03/59/33/595035933.db2.gz GBXVGQYHSQAQHY-GFCCVEGCSA-N 2 1 328.420 1.696 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)nc2)CC12CCOCC2 ZINC000843125441 595293222 /nfs/dbraw/zinc/29/32/22/595293222.db2.gz WOCXPPGDCLKFIR-MRXNPFEDSA-N 2 1 327.432 1.455 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000844189917 595297401 /nfs/dbraw/zinc/29/74/01/595297401.db2.gz VFNNETVBXUDHQJ-KBAYOESNSA-N 2 1 331.460 1.534 20 0 EDADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846892363 595333332 /nfs/dbraw/zinc/33/33/32/595333332.db2.gz UUIOHNLJJJDERS-SFHVURJKSA-N 2 1 341.496 1.776 20 0 EDADMP COC(=O)/C=C\c1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)o1 ZINC000848895884 595464265 /nfs/dbraw/zinc/46/42/65/595464265.db2.gz QQMQJHXBIMXYKS-SREVYHEPSA-N 2 1 349.475 1.829 20 0 EDADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000849072916 595478196 /nfs/dbraw/zinc/47/81/96/595478196.db2.gz RGXMDMVUBXPZJG-CVEARBPZSA-N 2 1 339.528 1.903 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1ccc2c(c1)OCCO2 ZINC000849088631 595480033 /nfs/dbraw/zinc/48/00/33/595480033.db2.gz QNACHLBKXQFBDW-MRXNPFEDSA-N 2 1 346.475 1.989 20 0 EDADMP CC(C)NC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000849101967 595482134 /nfs/dbraw/zinc/48/21/34/595482134.db2.gz FXPAYGPDZHZZHM-MRXNPFEDSA-N 2 1 331.464 1.406 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849486334 595547578 /nfs/dbraw/zinc/54/75/78/595547578.db2.gz GMVNWYXRAILDIK-ROUUACIJSA-N 2 1 347.507 1.444 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)cn1 ZINC000849500244 595551605 /nfs/dbraw/zinc/55/16/05/595551605.db2.gz OXIVCWNXCJHPRN-FJIDUMEYSA-N 2 1 345.491 1.198 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000849500244 595551606 /nfs/dbraw/zinc/55/16/06/595551606.db2.gz OXIVCWNXCJHPRN-FJIDUMEYSA-N 2 1 345.491 1.198 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000849500244 595551609 /nfs/dbraw/zinc/55/16/09/595551609.db2.gz OXIVCWNXCJHPRN-FJIDUMEYSA-N 2 1 345.491 1.198 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000849555898 595566260 /nfs/dbraw/zinc/56/62/60/595566260.db2.gz ZOFHZNSUEBNGEF-XDNAFOTISA-N 2 1 345.491 1.151 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000849555898 595566263 /nfs/dbraw/zinc/56/62/63/595566263.db2.gz ZOFHZNSUEBNGEF-XDNAFOTISA-N 2 1 345.491 1.151 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000849555898 595566266 /nfs/dbraw/zinc/56/62/66/595566266.db2.gz ZOFHZNSUEBNGEF-XDNAFOTISA-N 2 1 345.491 1.151 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849569338 595573814 /nfs/dbraw/zinc/57/38/14/595573814.db2.gz UEQAIUWMSVQAIL-DLBZAZTESA-N 2 1 335.496 1.254 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C=C2CC[NH2+]CC2)c1 ZINC000852860121 595581945 /nfs/dbraw/zinc/58/19/45/595581945.db2.gz KOSALTYWUSULSC-KRWDZBQOSA-N 2 1 342.443 1.385 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C=C2CC[NH2+]CC2)c1 ZINC000852860121 595581949 /nfs/dbraw/zinc/58/19/49/595581949.db2.gz KOSALTYWUSULSC-KRWDZBQOSA-N 2 1 342.443 1.385 20 0 EDADMP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849585340 595582780 /nfs/dbraw/zinc/58/27/80/595582780.db2.gz LBWABUTWWLYMRY-ZWKOTPCHSA-N 2 1 347.507 1.400 20 0 EDADMP C[C@H](c1ccc(NC(=O)C2=NO[C@@H](C[NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000852866751 595586743 /nfs/dbraw/zinc/58/67/43/595586743.db2.gz LGJFTMGLDJEQLP-IUODEOHRSA-N 2 1 332.404 1.122 20 0 EDADMP C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852888223 595600462 /nfs/dbraw/zinc/60/04/62/595600462.db2.gz VNVQCWDYFHHLQE-NUEKZKHPSA-N 2 1 330.432 1.117 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000852908447 595610198 /nfs/dbraw/zinc/61/01/98/595610198.db2.gz XQNYRKZZWZOJSB-OALUTQOASA-N 2 1 345.487 1.530 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)C1CC1 ZINC000853123230 595672867 /nfs/dbraw/zinc/67/28/67/595672867.db2.gz NQZZPKOGFYJSRO-NSWWBONSSA-N 2 1 339.480 1.431 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)C1CC1 ZINC000853123230 595672870 /nfs/dbraw/zinc/67/28/70/595672870.db2.gz NQZZPKOGFYJSRO-NSWWBONSSA-N 2 1 339.480 1.431 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000858192588 595726211 /nfs/dbraw/zinc/72/62/11/595726211.db2.gz LHIXYWDNYBLLSN-IXDOHACOSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@H]1CC[NH+]1C1CCCC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000858192588 595726213 /nfs/dbraw/zinc/72/62/13/595726213.db2.gz LHIXYWDNYBLLSN-IXDOHACOSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@H]1CC[NH+]1C1CCCC1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000858192588 595726216 /nfs/dbraw/zinc/72/62/16/595726216.db2.gz LHIXYWDNYBLLSN-IXDOHACOSA-N 2 1 336.480 1.166 20 0 EDADMP Cc1c[nH+]cn1CC(=O)OCCN1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000860716975 595772912 /nfs/dbraw/zinc/77/29/12/595772912.db2.gz XXVGTUDXRSSZFF-CQSZACIVSA-N 2 1 337.420 1.541 20 0 EDADMP NC(=O)[C@](O)(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000851861053 595952142 /nfs/dbraw/zinc/95/21/42/595952142.db2.gz NOBPDHQXKQHMEP-QSFXBCCZSA-N 2 1 343.471 1.308 20 0 EDADMP NC(=O)[C@](O)(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000851861053 595952143 /nfs/dbraw/zinc/95/21/43/595952143.db2.gz NOBPDHQXKQHMEP-QSFXBCCZSA-N 2 1 343.471 1.308 20 0 EDADMP NC(=O)[C@](O)(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000851861053 595952144 /nfs/dbraw/zinc/95/21/44/595952144.db2.gz NOBPDHQXKQHMEP-QSFXBCCZSA-N 2 1 343.471 1.308 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H]3CCCN(C)C3=O)C2)ccn1 ZINC000856585360 596023330 /nfs/dbraw/zinc/02/33/30/596023330.db2.gz COUDMKBSJILZKT-ROUUACIJSA-N 2 1 346.475 1.607 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C2)ccn1 ZINC000856585360 596023333 /nfs/dbraw/zinc/02/33/33/596023333.db2.gz COUDMKBSJILZKT-ROUUACIJSA-N 2 1 346.475 1.607 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)ccn1 ZINC000856585360 596023337 /nfs/dbraw/zinc/02/33/37/596023337.db2.gz COUDMKBSJILZKT-ROUUACIJSA-N 2 1 346.475 1.607 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3COCCO3)C2)ccn1 ZINC000856585129 596023813 /nfs/dbraw/zinc/02/38/13/596023813.db2.gz ZPZWTAWTTVUSOP-QZTJIDSGSA-N 2 1 335.448 1.402 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3COCCO3)C2)ccn1 ZINC000856585129 596023817 /nfs/dbraw/zinc/02/38/17/596023817.db2.gz ZPZWTAWTTVUSOP-QZTJIDSGSA-N 2 1 335.448 1.402 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3COCCO3)C2)ccn1 ZINC000856585129 596023820 /nfs/dbraw/zinc/02/38/20/596023820.db2.gz ZPZWTAWTTVUSOP-QZTJIDSGSA-N 2 1 335.448 1.402 20 0 EDADMP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856594014 596026472 /nfs/dbraw/zinc/02/64/72/596026472.db2.gz SVXNYHDZOGTRCZ-CRAIPNDOSA-N 2 1 348.491 1.901 20 0 EDADMP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856594014 596026475 /nfs/dbraw/zinc/02/64/75/596026475.db2.gz SVXNYHDZOGTRCZ-CRAIPNDOSA-N 2 1 348.491 1.901 20 0 EDADMP CCCNC(=O)[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856594014 596026478 /nfs/dbraw/zinc/02/64/78/596026478.db2.gz SVXNYHDZOGTRCZ-CRAIPNDOSA-N 2 1 348.491 1.901 20 0 EDADMP CCCNC(=O)[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856594014 596026481 /nfs/dbraw/zinc/02/64/81/596026481.db2.gz SVXNYHDZOGTRCZ-CRAIPNDOSA-N 2 1 348.491 1.901 20 0 EDADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)N3CCC3)C2)ccn1 ZINC000856598748 596030079 /nfs/dbraw/zinc/03/00/79/596030079.db2.gz KMGBRCRSCNCABF-SFHVURJKSA-N 2 1 346.475 1.607 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)N3CCC3)C2)ccn1 ZINC000856598748 596030084 /nfs/dbraw/zinc/03/00/84/596030084.db2.gz KMGBRCRSCNCABF-SFHVURJKSA-N 2 1 346.475 1.607 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)ccn1 ZINC000856598748 596030085 /nfs/dbraw/zinc/03/00/85/596030085.db2.gz KMGBRCRSCNCABF-SFHVURJKSA-N 2 1 346.475 1.607 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)ccn1 ZINC000856598748 596030090 /nfs/dbraw/zinc/03/00/90/596030090.db2.gz KMGBRCRSCNCABF-SFHVURJKSA-N 2 1 346.475 1.607 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861564299 596030588 /nfs/dbraw/zinc/03/05/88/596030588.db2.gz IUGKLUUOWBHKSY-WFASDCNBSA-N 2 1 328.420 1.515 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861564296 596031018 /nfs/dbraw/zinc/03/10/18/596031018.db2.gz IUGKLUUOWBHKSY-IUODEOHRSA-N 2 1 328.420 1.515 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861564293 596031217 /nfs/dbraw/zinc/03/12/17/596031217.db2.gz IUGKLUUOWBHKSY-DOMZBBRYSA-N 2 1 328.420 1.515 20 0 EDADMP NC(=O)NC(=O)OCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000852116570 596049056 /nfs/dbraw/zinc/04/90/56/596049056.db2.gz QXPYBLVOSHIRHV-UHFFFAOYSA-N 2 1 334.420 1.436 20 0 EDADMP NC(=O)c1ccc(CC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000866669152 596286144 /nfs/dbraw/zinc/28/61/44/596286144.db2.gz RSZCRWNLLZANCK-KBPBESRZSA-N 2 1 329.366 1.787 20 0 EDADMP NC(=O)c1ccc(CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000866669152 596286147 /nfs/dbraw/zinc/28/61/47/596286147.db2.gz RSZCRWNLLZANCK-KBPBESRZSA-N 2 1 329.366 1.787 20 0 EDADMP CC(C)(C)OC(=O)N1[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)COC1(C)C ZINC000862253491 596288427 /nfs/dbraw/zinc/28/84/27/596288427.db2.gz RQVVMDKXEPJEGR-MELADBBJSA-N 2 1 325.453 1.510 20 0 EDADMP CCc1cccc(OCC[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866706329 596301951 /nfs/dbraw/zinc/30/19/51/596301951.db2.gz BBMPZPRWSHWHGE-NXHRZFHOSA-N 2 1 345.443 1.495 20 0 EDADMP COc1ccc(CC[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866707982 596303168 /nfs/dbraw/zinc/30/31/68/596303168.db2.gz LMIHIKPVJVVZMI-UAGQMJEPSA-N 2 1 331.416 1.105 20 0 EDADMP O=C(CCC12CC(C1)C[NH2+]2)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000870868882 596383944 /nfs/dbraw/zinc/38/39/44/596383944.db2.gz UGJHYWMTZYLHPM-UHFFFAOYSA-N 2 1 343.471 1.667 20 0 EDADMP C[C@@H](NC(=O)CC[NH2+]CC1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000870891981 596392512 /nfs/dbraw/zinc/39/25/12/596392512.db2.gz NZKGZNWNAFGNAF-VQIMIIECSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H](NC(=O)CC[NH2+]CC1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000870891981 596392515 /nfs/dbraw/zinc/39/25/15/596392515.db2.gz NZKGZNWNAFGNAF-VQIMIIECSA-N 2 1 345.487 1.782 20 0 EDADMP O=C(CCC12CC(C1)C[NH2+]2)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000870956265 596418002 /nfs/dbraw/zinc/41/80/02/596418002.db2.gz OQAGYMPXTPHBOQ-GARNVTTQSA-N 2 1 333.476 1.278 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC000865090029 596470693 /nfs/dbraw/zinc/47/06/93/596470693.db2.gz VSUGOBKOSQRAML-FUHWJXTLSA-N 2 1 349.523 1.702 20 0 EDADMP CC[NH+](CC)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000871285174 596524322 /nfs/dbraw/zinc/52/43/22/596524322.db2.gz POGMKYHJEIZRGO-SFHVURJKSA-N 2 1 333.476 1.654 20 0 EDADMP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2C)CCO1 ZINC000871285931 596525370 /nfs/dbraw/zinc/52/53/70/596525370.db2.gz XCKAZCBSVKRGGR-GOSISDBHSA-N 2 1 333.476 1.654 20 0 EDADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2C)CCO1 ZINC000871285931 596525372 /nfs/dbraw/zinc/52/53/72/596525372.db2.gz XCKAZCBSVKRGGR-GOSISDBHSA-N 2 1 333.476 1.654 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000871285931 596525375 /nfs/dbraw/zinc/52/53/75/596525375.db2.gz XCKAZCBSVKRGGR-GOSISDBHSA-N 2 1 333.476 1.654 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000871285931 596525378 /nfs/dbraw/zinc/52/53/78/596525378.db2.gz XCKAZCBSVKRGGR-GOSISDBHSA-N 2 1 333.476 1.654 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1(C)C ZINC000865746867 596668595 /nfs/dbraw/zinc/66/85/95/596668595.db2.gz QJHJWOQZTZSKFB-KKUMJFAQSA-N 2 1 341.496 1.819 20 0 EDADMP CC[C@H]1COCCN1CCNC(=S)NC[C@H]1CCC[N@H+]1CC ZINC000871688724 596672147 /nfs/dbraw/zinc/67/21/47/596672147.db2.gz QQQJMSPRYLQIFC-LSDHHAIUSA-N 2 1 328.526 1.046 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C3(CO)CCCCCCC3)cn2)CC1 ZINC000865767309 596674283 /nfs/dbraw/zinc/67/42/83/596674283.db2.gz DRPSKZSJTTXAHW-UHFFFAOYSA-N 2 1 347.507 1.793 20 0 EDADMP C[C@H](CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)CN1CC[NH+](C)CC1 ZINC000868185697 596715512 /nfs/dbraw/zinc/71/55/12/596715512.db2.gz YRYWQZOQQKHNCP-FHLIZLRMSA-N 2 1 345.491 1.506 20 0 EDADMP CCn1cnc2c1nc(Cl)nc2NCC[N@H+](C)CCC[NH+](C)C ZINC000865939125 596730846 /nfs/dbraw/zinc/73/08/46/596730846.db2.gz PGWPZEQCZDSFGZ-UHFFFAOYSA-N 2 1 339.875 1.795 20 0 EDADMP CCn1cnc2c1nc(Cl)nc2NCC[N@@H+](C)CCC[NH+](C)C ZINC000865939125 596730848 /nfs/dbraw/zinc/73/08/48/596730848.db2.gz PGWPZEQCZDSFGZ-UHFFFAOYSA-N 2 1 339.875 1.795 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1)[C@@H]1CCC[NH2+]1 ZINC000872144131 596809172 /nfs/dbraw/zinc/80/91/72/596809172.db2.gz VJTHUAVBARTEMG-ULQDDVLXSA-N 2 1 335.492 1.526 20 0 EDADMP CC(C)(C)S(=O)(=O)CCC[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000872145668 596809880 /nfs/dbraw/zinc/80/98/80/596809880.db2.gz WBSPOYCWXJIQPX-HOTGVXAUSA-N 2 1 346.537 1.808 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](C[C@@H]3CC4(CCC4)CO3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000872145830 596810511 /nfs/dbraw/zinc/81/05/11/596810511.db2.gz WQOSHELOHKJCEZ-BBWFWOEESA-N 2 1 348.491 1.166 20 0 EDADMP CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156944 596815637 /nfs/dbraw/zinc/81/56/37/596815637.db2.gz MNSHGIZFKMACRX-HIFRSBDPSA-N 2 1 347.511 1.639 20 0 EDADMP CN(C)c1nc(N)nc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156944 596815638 /nfs/dbraw/zinc/81/56/38/596815638.db2.gz MNSHGIZFKMACRX-HIFRSBDPSA-N 2 1 347.511 1.639 20 0 EDADMP Cc1cccc(C[C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000866268212 596842991 /nfs/dbraw/zinc/84/29/91/596842991.db2.gz OYEWGCHTBCQWQL-ICSRJNTNSA-N 2 1 331.504 1.922 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000872256182 596856577 /nfs/dbraw/zinc/85/65/77/596856577.db2.gz QAQWWAWZWIZFTA-RTXFEEFZSA-N 2 1 327.837 1.768 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000872256182 596856579 /nfs/dbraw/zinc/85/65/79/596856579.db2.gz QAQWWAWZWIZFTA-RTXFEEFZSA-N 2 1 327.837 1.768 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000872257096 596857269 /nfs/dbraw/zinc/85/72/69/596857269.db2.gz LBCKSJKZWXZUCZ-SOLBZPMBSA-N 2 1 341.411 1.329 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(F)c1 ZINC000872256912 596857511 /nfs/dbraw/zinc/85/75/11/596857511.db2.gz FQBXODQYEVVXOX-MAZHCROVSA-N 2 1 335.379 1.201 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(F)c1 ZINC000872256912 596857513 /nfs/dbraw/zinc/85/75/13/596857513.db2.gz FQBXODQYEVVXOX-MAZHCROVSA-N 2 1 335.379 1.201 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)N2CC[NH+](C)C(C)(C)CC2)CC1(C)C ZINC000875559289 596897300 /nfs/dbraw/zinc/89/73/00/596897300.db2.gz ROWLGNYTKSACJR-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP C[NH+]1CCN(CCNC(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1(C)C ZINC000875559289 596897301 /nfs/dbraw/zinc/89/73/01/596897301.db2.gz ROWLGNYTKSACJR-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP C[NH+]1CCN(CCNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1(C)C ZINC000875559289 596897304 /nfs/dbraw/zinc/89/73/04/596897304.db2.gz ROWLGNYTKSACJR-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CC[C@@H]1COCCN1CCNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000875662552 596938028 /nfs/dbraw/zinc/93/80/28/596938028.db2.gz LRTXUOHQWNGJHG-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)C1 ZINC000875746624 596971224 /nfs/dbraw/zinc/97/12/24/596971224.db2.gz JZFJUIBZJQZRST-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000874846298 597198423 /nfs/dbraw/zinc/19/84/23/597198423.db2.gz XYBTZDSLSBNRLL-IPMKNSEASA-N 2 1 342.487 1.989 20 0 EDADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000874846298 597198425 /nfs/dbraw/zinc/19/84/25/597198425.db2.gz XYBTZDSLSBNRLL-IPMKNSEASA-N 2 1 342.487 1.989 20 0 EDADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000874846298 597198427 /nfs/dbraw/zinc/19/84/27/597198427.db2.gz XYBTZDSLSBNRLL-IPMKNSEASA-N 2 1 342.487 1.989 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)[C@H](C)C1 ZINC000873218431 597231245 /nfs/dbraw/zinc/23/12/45/597231245.db2.gz GPQMBFADXJLTDY-KDOFPFPSSA-N 3 1 328.464 1.546 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@@H]1C(F)(F)F ZINC000873227765 597234015 /nfs/dbraw/zinc/23/40/15/597234015.db2.gz NGJXTTLJGPVYQW-OCCSQVGLSA-N 2 1 325.338 1.836 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)C[C@@H]1C(F)(F)F ZINC000873227765 597234018 /nfs/dbraw/zinc/23/40/18/597234018.db2.gz NGJXTTLJGPVYQW-OCCSQVGLSA-N 2 1 325.338 1.836 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2-n2cncn2)C[C@H]1C(F)(F)F ZINC000873227119 597234203 /nfs/dbraw/zinc/23/42/03/597234203.db2.gz HGHGMZXYCQHOTN-CHWSQXEVSA-N 2 1 325.338 1.836 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2-n2cncn2)C[C@H]1C(F)(F)F ZINC000873227119 597234205 /nfs/dbraw/zinc/23/42/05/597234205.db2.gz HGHGMZXYCQHOTN-CHWSQXEVSA-N 2 1 325.338 1.836 20 0 EDADMP CC(=O)Nc1ccc2c(c1)C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000873229179 597235165 /nfs/dbraw/zinc/23/51/65/597235165.db2.gz OMDFFHDCHJVNTL-HNNXBMFYSA-N 2 1 344.459 1.200 20 0 EDADMP C[C@@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1cc2n(n1)CCC2 ZINC000873244282 597238014 /nfs/dbraw/zinc/23/80/14/597238014.db2.gz PYIOCWRQMUFOBC-CYBMUJFWSA-N 2 1 337.431 1.720 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000876762814 597328515 /nfs/dbraw/zinc/32/85/15/597328515.db2.gz HCHLDTGDKQPJAF-BBRMVZONSA-N 2 1 325.478 1.496 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000876762814 597328520 /nfs/dbraw/zinc/32/85/20/597328520.db2.gz HCHLDTGDKQPJAF-BBRMVZONSA-N 2 1 325.478 1.496 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000876762814 597328524 /nfs/dbraw/zinc/32/85/24/597328524.db2.gz HCHLDTGDKQPJAF-BBRMVZONSA-N 2 1 325.478 1.496 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000876762814 597328528 /nfs/dbraw/zinc/32/85/28/597328528.db2.gz HCHLDTGDKQPJAF-BBRMVZONSA-N 2 1 325.478 1.496 20 0 EDADMP C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876806723 597346640 /nfs/dbraw/zinc/34/66/40/597346640.db2.gz SLVSEYVUSHEKJH-CYBMUJFWSA-N 2 1 326.238 1.613 20 0 EDADMP C[N@H+]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876806723 597346644 /nfs/dbraw/zinc/34/66/44/597346644.db2.gz SLVSEYVUSHEKJH-CYBMUJFWSA-N 2 1 326.238 1.613 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876976844 597403483 /nfs/dbraw/zinc/40/34/83/597403483.db2.gz RIGVFIDCESAMCU-KURKYZTESA-N 2 1 344.503 1.292 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876976844 597403484 /nfs/dbraw/zinc/40/34/84/597403484.db2.gz RIGVFIDCESAMCU-KURKYZTESA-N 2 1 344.503 1.292 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C1 ZINC000877229224 597469250 /nfs/dbraw/zinc/46/92/50/597469250.db2.gz JFPFZPJDTYREHH-QRQLOZEOSA-N 2 1 347.503 1.931 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C1 ZINC000877229224 597469252 /nfs/dbraw/zinc/46/92/52/597469252.db2.gz JFPFZPJDTYREHH-QRQLOZEOSA-N 2 1 347.503 1.931 20 0 EDADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C3=CC[C@@H]([NH3+])C3)C2)c1 ZINC000877247910 597478325 /nfs/dbraw/zinc/47/83/25/597478325.db2.gz CEMXKVMIUBDXNZ-MSOLQXFVSA-N 2 1 329.444 1.360 20 0 EDADMP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C3=CC[C@@H]([NH3+])C3)C2)c1 ZINC000877247910 597478327 /nfs/dbraw/zinc/47/83/27/597478327.db2.gz CEMXKVMIUBDXNZ-MSOLQXFVSA-N 2 1 329.444 1.360 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285119 597486400 /nfs/dbraw/zinc/48/64/00/597486400.db2.gz XZAIQXJJGLLFJQ-RBUKOAKNSA-N 2 1 342.487 1.157 20 0 EDADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000877451919 597517235 /nfs/dbraw/zinc/51/72/35/597517235.db2.gz VZOOWLRMQSPFRF-JQHSSLGASA-N 2 1 326.444 1.733 20 0 EDADMP C[NH+]1CCC2(CCC[N@H+](Cc3cn(C[C@@H]4CCOC4)nn3)C2)CC1 ZINC000877496684 597524952 /nfs/dbraw/zinc/52/49/52/597524952.db2.gz WRVBVIAJJVRQDG-INIZCTEOSA-N 2 1 333.480 1.622 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cn(C[C@@H]4CCOC4)nn3)C2)CC1 ZINC000877496684 597524954 /nfs/dbraw/zinc/52/49/54/597524954.db2.gz WRVBVIAJJVRQDG-INIZCTEOSA-N 2 1 333.480 1.622 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H]4CSC[C@@H]4C3)cn2)CC1 ZINC000877742064 597552325 /nfs/dbraw/zinc/55/23/25/597552325.db2.gz XKMLUSCMMGIDMM-CVEARBPZSA-N 2 1 333.505 1.413 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H]4CSC[C@@H]4C3)cn2)CC1 ZINC000877742064 597552326 /nfs/dbraw/zinc/55/23/26/597552326.db2.gz XKMLUSCMMGIDMM-CVEARBPZSA-N 2 1 333.505 1.413 20 0 EDADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1N1CCCC1 ZINC000877891544 597562169 /nfs/dbraw/zinc/56/21/69/597562169.db2.gz ANCCREWMNZTCNI-UHFFFAOYSA-N 2 1 344.503 1.929 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1N1CCCC1 ZINC000877891544 597562170 /nfs/dbraw/zinc/56/21/70/597562170.db2.gz ANCCREWMNZTCNI-UHFFFAOYSA-N 2 1 344.503 1.929 20 0 EDADMP Cn1nnnc1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000878197871 597586054 /nfs/dbraw/zinc/58/60/54/597586054.db2.gz RHRYXGDMCDEBBU-ROUUACIJSA-N 2 1 340.475 1.739 20 0 EDADMP Cn1nnnc1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000878197871 597586055 /nfs/dbraw/zinc/58/60/55/597586055.db2.gz RHRYXGDMCDEBBU-ROUUACIJSA-N 2 1 340.475 1.739 20 0 EDADMP Cn1nnnc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000878197871 597586056 /nfs/dbraw/zinc/58/60/56/597586056.db2.gz RHRYXGDMCDEBBU-ROUUACIJSA-N 2 1 340.475 1.739 20 0 EDADMP Cn1nnnc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000878197871 597586057 /nfs/dbraw/zinc/58/60/57/597586057.db2.gz RHRYXGDMCDEBBU-ROUUACIJSA-N 2 1 340.475 1.739 20 0 EDADMP CC[C@H](O)C[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878284252 597592516 /nfs/dbraw/zinc/59/25/16/597592516.db2.gz DJYHAOMWTHBAJU-SFHVURJKSA-N 2 1 333.476 1.470 20 0 EDADMP CC[C@H](O)C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878284252 597592517 /nfs/dbraw/zinc/59/25/17/597592517.db2.gz DJYHAOMWTHBAJU-SFHVURJKSA-N 2 1 333.476 1.470 20 0 EDADMP CN(CC[N@@H+](C)C[C@H](O)CC1(O)CCCC1)C1CC[NH+](C)CC1 ZINC000878311269 597594517 /nfs/dbraw/zinc/59/45/17/597594517.db2.gz GMIGJNPGMJGONX-QGZVFWFLSA-N 2 1 327.513 1.000 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879578890 597641124 /nfs/dbraw/zinc/64/11/24/597641124.db2.gz IIAMLUTUEVNWIK-QLFBSQMISA-N 2 1 327.469 1.288 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879578890 597641127 /nfs/dbraw/zinc/64/11/27/597641127.db2.gz IIAMLUTUEVNWIK-QLFBSQMISA-N 2 1 327.469 1.288 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879578890 597641129 /nfs/dbraw/zinc/64/11/29/597641129.db2.gz IIAMLUTUEVNWIK-QLFBSQMISA-N 2 1 327.469 1.288 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879578890 597641131 /nfs/dbraw/zinc/64/11/31/597641131.db2.gz IIAMLUTUEVNWIK-QLFBSQMISA-N 2 1 327.469 1.288 20 0 EDADMP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1 ZINC000883142653 597665649 /nfs/dbraw/zinc/66/56/49/597665649.db2.gz PYWPUMWPAVORQL-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1 ZINC000883142653 597665653 /nfs/dbraw/zinc/66/56/53/597665653.db2.gz PYWPUMWPAVORQL-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000883142653 597665655 /nfs/dbraw/zinc/66/56/55/597665655.db2.gz PYWPUMWPAVORQL-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000883142653 597665657 /nfs/dbraw/zinc/66/56/57/597665657.db2.gz PYWPUMWPAVORQL-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)[NH+]1CCSCC1 ZINC000881633422 597665979 /nfs/dbraw/zinc/66/59/79/597665979.db2.gz WYDBSTNHHVMFHS-LSDHHAIUSA-N 2 1 334.489 1.556 20 0 EDADMP COC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCCOC1 ZINC000883185825 597680620 /nfs/dbraw/zinc/68/06/20/597680620.db2.gz FLJJYUWKDVFUCS-IAGOWNOFSA-N 2 1 326.481 1.663 20 0 EDADMP Cc1cc(NC(=O)C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)n(C)n1 ZINC000879702293 597694800 /nfs/dbraw/zinc/69/48/00/597694800.db2.gz JASGUHRXTJLWOU-UHFFFAOYSA-N 2 1 335.496 1.967 20 0 EDADMP COC(=O)C1=C(C)O[C@@H](C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000878746336 597698038 /nfs/dbraw/zinc/69/80/38/597698038.db2.gz ATDGSOIOMPRIOY-MRXNPFEDSA-N 2 1 331.416 1.830 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000883300785 597706512 /nfs/dbraw/zinc/70/65/12/597706512.db2.gz HMGOAGIFPRKCJM-SOUVJXGZSA-N 2 1 343.537 1.699 20 0 EDADMP O=C(N1CC[NH2+]CC1)N1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000883437442 597746208 /nfs/dbraw/zinc/74/62/08/597746208.db2.gz RZVFTXSHMVIICO-AWEZNQCLSA-N 2 1 330.423 1.455 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000883490217 597772966 /nfs/dbraw/zinc/77/29/66/597772966.db2.gz HHNKCKDOQSPWGI-INIZCTEOSA-N 2 1 326.485 1.269 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000879973589 597791762 /nfs/dbraw/zinc/79/17/62/597791762.db2.gz ZWRUTTZIBQYJMA-IKGGRYGDSA-N 2 1 334.464 1.323 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000879973589 597791766 /nfs/dbraw/zinc/79/17/66/597791766.db2.gz ZWRUTTZIBQYJMA-IKGGRYGDSA-N 2 1 334.464 1.323 20 0 EDADMP [NH3+][C@H](CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000883586799 597815002 /nfs/dbraw/zinc/81/50/02/597815002.db2.gz SQQCKFYVCHZYNG-QZTJIDSGSA-N 2 1 343.475 1.830 20 0 EDADMP [NH3+][C@H](CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000883586801 597815072 /nfs/dbraw/zinc/81/50/72/597815072.db2.gz SQQCKFYVCHZYNG-ZWKOTPCHSA-N 2 1 343.475 1.830 20 0 EDADMP COCC[N@@H+](CCc1nnn(C(C)(C)C)n1)CC1CC[NH+](C)CC1 ZINC000879127286 597827569 /nfs/dbraw/zinc/82/75/69/597827569.db2.gz UTOHNEGQIZBBLY-UHFFFAOYSA-N 2 1 338.500 1.261 20 0 EDADMP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000883740091 597882656 /nfs/dbraw/zinc/88/26/56/597882656.db2.gz TWRMABVFNNPZCZ-DLBZAZTESA-N 2 1 346.475 1.663 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000883740091 597882660 /nfs/dbraw/zinc/88/26/60/597882660.db2.gz TWRMABVFNNPZCZ-DLBZAZTESA-N 2 1 346.475 1.663 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000883740091 597882661 /nfs/dbraw/zinc/88/26/61/597882661.db2.gz TWRMABVFNNPZCZ-DLBZAZTESA-N 2 1 346.475 1.663 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000883740091 597882664 /nfs/dbraw/zinc/88/26/64/597882664.db2.gz TWRMABVFNNPZCZ-DLBZAZTESA-N 2 1 346.475 1.663 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000883891782 597932807 /nfs/dbraw/zinc/93/28/07/597932807.db2.gz CJEBIEAHQFXRME-KRWDZBQOSA-N 2 1 346.475 1.487 20 0 EDADMP CCN1CC[C@H]1CNC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000883891782 597932810 /nfs/dbraw/zinc/93/28/10/597932810.db2.gz CJEBIEAHQFXRME-KRWDZBQOSA-N 2 1 346.475 1.487 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880578332 597969446 /nfs/dbraw/zinc/96/94/46/597969446.db2.gz RXIKUJWNOALCGT-ROUUACIJSA-N 2 1 328.497 1.454 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880578332 597969447 /nfs/dbraw/zinc/96/94/47/597969447.db2.gz RXIKUJWNOALCGT-ROUUACIJSA-N 2 1 328.497 1.454 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880578332 597969448 /nfs/dbraw/zinc/96/94/48/597969448.db2.gz RXIKUJWNOALCGT-ROUUACIJSA-N 2 1 328.497 1.454 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880578332 597969449 /nfs/dbraw/zinc/96/94/49/597969449.db2.gz RXIKUJWNOALCGT-ROUUACIJSA-N 2 1 328.497 1.454 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000884172729 598013808 /nfs/dbraw/zinc/01/38/08/598013808.db2.gz CJZSISZRAQQRRA-INIZCTEOSA-N 2 1 349.479 1.270 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1)C[NH+]1CCOCC1 ZINC000884206180 598028377 /nfs/dbraw/zinc/02/83/77/598028377.db2.gz OAXQRLXVAMKVCV-YOEHRIQHSA-N 2 1 345.443 1.387 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000884277072 598051744 /nfs/dbraw/zinc/05/17/44/598051744.db2.gz GOBFBOVXZHKXSA-SFHVURJKSA-N 2 1 340.427 1.467 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[C@@H]1C ZINC000130350654 598091346 /nfs/dbraw/zinc/09/13/46/598091346.db2.gz XLIQTJDSVJRPQH-XHSDSOJGSA-N 2 1 342.528 1.713 20 0 EDADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000884413151 598097686 /nfs/dbraw/zinc/09/76/86/598097686.db2.gz LBAMERUSOXVEOX-BZUAXINKSA-N 2 1 337.508 1.756 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914182807 695260571 /nfs/dbraw/zinc/26/05/71/695260571.db2.gz BLKXULIQFHJWCG-OAGGEKHMSA-N 2 1 342.553 1.842 20 0 EDADMP CCO[C@H](CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000914342586 695366951 /nfs/dbraw/zinc/36/69/51/695366951.db2.gz ZZBPVPXFLVNYJG-OWCLPIDISA-N 2 1 328.501 1.373 20 0 EDADMP CCO[C@H](CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1)C[NH+](C)C ZINC000914342585 695367179 /nfs/dbraw/zinc/36/71/79/695367179.db2.gz ZZBPVPXFLVNYJG-HRCADAONSA-N 2 1 328.501 1.373 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1CN(Cc2cncn2C)C1 ZINC001031237060 695940239 /nfs/dbraw/zinc/94/02/39/695940239.db2.gz RAGIPCKHRZIOOL-QGZVFWFLSA-N 2 1 333.480 1.375 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](C[C@H]3CCc4ccccc4C3)C2)C1 ZINC001031257919 696064813 /nfs/dbraw/zinc/06/48/13/696064813.db2.gz AVPPQTCPHMMTNM-DLBZAZTESA-N 2 1 341.499 1.934 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CCC[N@@H+]1CCCO ZINC000993629830 696292639 /nfs/dbraw/zinc/29/26/39/696292639.db2.gz ZUBVQGJLVZZPGI-CABCVRRESA-N 2 1 334.464 1.113 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CCC[N@H+]1CCCO ZINC000993629830 696292641 /nfs/dbraw/zinc/29/26/41/696292641.db2.gz ZUBVQGJLVZZPGI-CABCVRRESA-N 2 1 334.464 1.113 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccnn1C ZINC000993765714 696362983 /nfs/dbraw/zinc/36/29/83/696362983.db2.gz VKSQJUPJBPQQRZ-PBHICJAKSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccnn1C ZINC000993765714 696362985 /nfs/dbraw/zinc/36/29/85/696362985.db2.gz VKSQJUPJBPQQRZ-PBHICJAKSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCCN1Cc1cncn1C ZINC000993801908 696378467 /nfs/dbraw/zinc/37/84/67/696378467.db2.gz DDZBAXBAZFSPKR-WBVHZDCISA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCCN1Cc1cncn1C ZINC000993801903 696378544 /nfs/dbraw/zinc/37/85/44/696378544.db2.gz DDZBAXBAZFSPKR-DOTOQJQBSA-N 2 1 347.507 1.621 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000993980937 696480393 /nfs/dbraw/zinc/48/03/93/696480393.db2.gz CIYIODISBHEGGF-MAUKXSAKSA-N 2 1 333.476 1.977 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001015710556 696647593 /nfs/dbraw/zinc/64/75/93/696647593.db2.gz NPTSHKNBLSRXAC-CVEARBPZSA-N 2 1 337.508 1.724 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@H+](C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001015710556 696647594 /nfs/dbraw/zinc/64/75/94/696647594.db2.gz NPTSHKNBLSRXAC-CVEARBPZSA-N 2 1 337.508 1.724 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001015710556 696647596 /nfs/dbraw/zinc/64/75/96/696647596.db2.gz NPTSHKNBLSRXAC-CVEARBPZSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1CCc1ccnn1C ZINC000994252537 696648889 /nfs/dbraw/zinc/64/88/89/696648889.db2.gz MEPCHNYLNRGATK-NVXWUHKLSA-N 2 1 345.491 1.028 20 0 EDADMP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000940008673 700110737 /nfs/dbraw/zinc/11/07/37/700110737.db2.gz XOOVANXDWJFVQP-INIZCTEOSA-N 2 1 333.480 1.468 20 0 EDADMP Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000940024792 700123502 /nfs/dbraw/zinc/12/35/02/700123502.db2.gz RNNOWULOWBNARR-QGZVFWFLSA-N 2 1 346.475 1.191 20 0 EDADMP Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000940024792 700123504 /nfs/dbraw/zinc/12/35/04/700123504.db2.gz RNNOWULOWBNARR-QGZVFWFLSA-N 2 1 346.475 1.191 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC[C@H]3CCCC3(F)F)C2)C1 ZINC001031418942 697072614 /nfs/dbraw/zinc/07/26/14/697072614.db2.gz PIEFUMCEQGLVKJ-UKRRQHHQSA-N 2 1 345.434 1.333 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CN(CC[C@H]3CCCC3(F)F)C2)C1 ZINC001031418942 697072618 /nfs/dbraw/zinc/07/26/18/697072618.db2.gz PIEFUMCEQGLVKJ-UKRRQHHQSA-N 2 1 345.434 1.333 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000352215297 697119975 /nfs/dbraw/zinc/11/99/75/697119975.db2.gz BYZAMZUTXINJNW-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000352215297 697119977 /nfs/dbraw/zinc/11/99/77/697119977.db2.gz BYZAMZUTXINJNW-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+]1CCC(NC(=S)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000920307975 697419195 /nfs/dbraw/zinc/41/91/95/697419195.db2.gz TZOCYWSXPQXLRP-QGZVFWFLSA-N 2 1 332.517 1.944 20 0 EDADMP C[NH+]1CCC(NC(=S)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000920307975 697419198 /nfs/dbraw/zinc/41/91/98/697419198.db2.gz TZOCYWSXPQXLRP-QGZVFWFLSA-N 2 1 332.517 1.944 20 0 EDADMP Cc1ncccc1CN1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668870 697463356 /nfs/dbraw/zinc/46/33/56/697463356.db2.gz RIVBBJXFJMYMDI-RTBURBONSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668870 697463359 /nfs/dbraw/zinc/46/33/59/697463359.db2.gz RIVBBJXFJMYMDI-RTBURBONSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668870 697463361 /nfs/dbraw/zinc/46/33/61/697463361.db2.gz RIVBBJXFJMYMDI-RTBURBONSA-N 2 1 342.487 1.812 20 0 EDADMP O=C(NCC1C[NH+](CCC(F)(F)F)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031669041 697464198 /nfs/dbraw/zinc/46/41/98/697464198.db2.gz WLKHHKZHERWQEN-UONOGXRCSA-N 2 1 333.398 1.861 20 0 EDADMP O=C(NCC1C[NH+](CCC(F)(F)F)C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031669041 697464199 /nfs/dbraw/zinc/46/41/99/697464199.db2.gz WLKHHKZHERWQEN-UONOGXRCSA-N 2 1 333.398 1.861 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nccs2)C1 ZINC000995035847 700180668 /nfs/dbraw/zinc/18/06/68/700180668.db2.gz JHAPLJJKQJEVIQ-KBPBESRZSA-N 2 1 333.461 1.723 20 0 EDADMP O=C(NCC1C[NH+](C[C@H]2CCCOC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001031730428 698071614 /nfs/dbraw/zinc/07/16/14/698071614.db2.gz OGTQNDBLTXSRLU-APWZRJJASA-N 2 1 349.519 1.868 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000995037525 700208819 /nfs/dbraw/zinc/20/88/19/700208819.db2.gz NTEOXUQLLVVDCZ-KGLIPLIRSA-N 2 1 333.461 1.723 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000995037593 700209080 /nfs/dbraw/zinc/20/90/80/700209080.db2.gz OEAKUNFSTZMTMT-HZPDHXFCSA-N 2 1 327.432 1.661 20 0 EDADMP CCc1nocc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000995038553 700226823 /nfs/dbraw/zinc/22/68/23/700226823.db2.gz QJHFPWSYUWIAOA-GOEBONIOSA-N 2 1 345.447 1.817 20 0 EDADMP CC1([NH2+]Cc2cnsn2)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115673 700230761 /nfs/dbraw/zinc/23/07/61/700230761.db2.gz RMMNSXKLEPOHOS-OAHLLOKOSA-N 2 1 349.504 1.351 20 0 EDADMP CCOC(=O)[C@]1(C)CC(=O)N(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000184885081 698572312 /nfs/dbraw/zinc/57/23/12/698572312.db2.gz UHTYAHYUTPHVRL-RLFYNMQTSA-N 2 1 337.464 1.162 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000995040994 700248160 /nfs/dbraw/zinc/24/81/60/700248160.db2.gz XSMITWZAOWLNBV-DOTOQJQBSA-N 2 1 342.447 1.365 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](C)OC)C1 ZINC001032119267 699002059 /nfs/dbraw/zinc/00/20/59/699002059.db2.gz KQSCEAWFHYZHRO-NVXWUHKLSA-N 2 1 325.497 1.724 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)C12CCC[NH+](CCC1)C2 ZINC001031764218 699041876 /nfs/dbraw/zinc/04/18/76/699041876.db2.gz ATOUCRMWGRVGRW-UHFFFAOYSA-N 2 1 328.460 1.506 20 0 EDADMP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766084 699055596 /nfs/dbraw/zinc/05/55/96/699055596.db2.gz AXLZGGZRSZAYJU-QZTJIDSGSA-N 2 1 345.491 1.028 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031777174 699162179 /nfs/dbraw/zinc/16/21/79/699162179.db2.gz XTRONTSDCUPLFK-INIZCTEOSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031777174 699162180 /nfs/dbraw/zinc/16/21/80/699162180.db2.gz XTRONTSDCUPLFK-INIZCTEOSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)nc1 ZINC000939138319 699230876 /nfs/dbraw/zinc/23/08/76/699230876.db2.gz WTYFSQLRQCFNTD-HOTGVXAUSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)nc1 ZINC000939138319 699230877 /nfs/dbraw/zinc/23/08/77/699230877.db2.gz WTYFSQLRQCFNTD-HOTGVXAUSA-N 2 1 345.491 1.453 20 0 EDADMP CC[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1)OC ZINC001031787132 699241593 /nfs/dbraw/zinc/24/15/93/699241593.db2.gz BFZGZSUZMCVHGG-CABCVRRESA-N 2 1 334.464 1.296 20 0 EDADMP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC000939319724 699498084 /nfs/dbraw/zinc/49/80/84/699498084.db2.gz LUVNTNSTOZGPQF-MAUKXSAKSA-N 2 1 346.475 1.049 20 0 EDADMP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC000939320154 699498646 /nfs/dbraw/zinc/49/86/46/699498646.db2.gz QPPLTGGGINQOKZ-FUHWJXTLSA-N 2 1 346.475 1.049 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1nncs1 ZINC000939394130 699544541 /nfs/dbraw/zinc/54/45/41/699544541.db2.gz BAYKVIGNTWXUAJ-UONOGXRCSA-N 2 1 337.493 1.207 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)s1 ZINC000939544571 699686345 /nfs/dbraw/zinc/68/63/45/699686345.db2.gz KUVJOSWCGWDLQA-STQMWFEESA-N 2 1 349.504 1.133 20 0 EDADMP COC[C@@]1(C)CC(=O)N(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000083112173 700330281 /nfs/dbraw/zinc/33/02/81/700330281.db2.gz XDIBUJJFMHEUIG-SFHVURJKSA-N 2 1 325.497 1.881 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2cnc(C)nc2)CC1 ZINC000940212526 700351054 /nfs/dbraw/zinc/35/10/54/700351054.db2.gz ZNUKRLCDNYOGHB-UHFFFAOYSA-N 2 1 342.447 1.461 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2nccnc2C)CC1 ZINC000940214246 700353761 /nfs/dbraw/zinc/35/37/61/700353761.db2.gz CVQUZVBIAGQODY-UHFFFAOYSA-N 2 1 342.447 1.461 20 0 EDADMP CC1([NH2+]CC2CC2)CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000940219667 700381604 /nfs/dbraw/zinc/38/16/04/700381604.db2.gz UFMNTZGFEDOKQY-WUJZJPHMSA-N 2 1 333.476 1.230 20 0 EDADMP Cc1nonc1C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948244212 700436244 /nfs/dbraw/zinc/43/62/44/700436244.db2.gz FPUJQJUPNAMINP-GOEBONIOSA-N 2 1 335.452 1.285 20 0 EDADMP Cc1nonc1C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948244212 700436246 /nfs/dbraw/zinc/43/62/46/700436246.db2.gz FPUJQJUPNAMINP-GOEBONIOSA-N 2 1 335.452 1.285 20 0 EDADMP Cc1nonc1C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000948244212 700436248 /nfs/dbraw/zinc/43/62/48/700436248.db2.gz FPUJQJUPNAMINP-GOEBONIOSA-N 2 1 335.452 1.285 20 0 EDADMP Cc1nonc1C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000948244212 700436250 /nfs/dbraw/zinc/43/62/50/700436250.db2.gz FPUJQJUPNAMINP-GOEBONIOSA-N 2 1 335.452 1.285 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC000940327624 700504598 /nfs/dbraw/zinc/50/45/98/700504598.db2.gz LHCVLMKGQWQWNU-RHSMWYFYSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1 ZINC000940328548 700506998 /nfs/dbraw/zinc/50/69/98/700506998.db2.gz KIZMUMZTAOMAOI-OAHLLOKOSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000940328976 700507949 /nfs/dbraw/zinc/50/79/49/700507949.db2.gz PGMNFCVZLLDTDE-HNNXBMFYSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)on1 ZINC000940329159 700508604 /nfs/dbraw/zinc/50/86/04/700508604.db2.gz QJUIMUWDZZIFQN-OAHLLOKOSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC000940329234 700508638 /nfs/dbraw/zinc/50/86/38/700508638.db2.gz SBDBYSUAODRKAJ-ZDUSSCGKSA-N 2 1 335.452 1.333 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3cnns3)CC2)C1 ZINC000940329885 700509696 /nfs/dbraw/zinc/50/96/96/700509696.db2.gz ZFEKCGQIMNAKEU-ZDUSSCGKSA-N 2 1 337.493 1.351 20 0 EDADMP Cn1cncc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940426130 700619678 /nfs/dbraw/zinc/61/96/78/700619678.db2.gz GOUVXDZAXYOLBV-HNNXBMFYSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC000940461759 700664830 /nfs/dbraw/zinc/66/48/30/700664830.db2.gz JPTPBTOGVQFYEG-APWZRJJASA-N 2 1 346.475 1.589 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000940461976 700665685 /nfs/dbraw/zinc/66/56/85/700665685.db2.gz UTGCSFGTOLKJFR-INIZCTEOSA-N 2 1 348.491 1.977 20 0 EDADMP CCc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)no1 ZINC000995170149 701676523 /nfs/dbraw/zinc/67/65/23/701676523.db2.gz WFTDYMHLGWDQNS-UONOGXRCSA-N 2 1 347.463 1.102 20 0 EDADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902238 700977086 /nfs/dbraw/zinc/97/70/86/700977086.db2.gz ZTHYAABHKOKQLR-IOSXPMGOSA-N 2 1 335.492 1.475 20 0 EDADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902238 700977087 /nfs/dbraw/zinc/97/70/87/700977087.db2.gz ZTHYAABHKOKQLR-IOSXPMGOSA-N 2 1 335.492 1.475 20 0 EDADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902238 700977088 /nfs/dbraw/zinc/97/70/88/700977088.db2.gz ZTHYAABHKOKQLR-IOSXPMGOSA-N 2 1 335.492 1.475 20 0 EDADMP CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000940917971 700995407 /nfs/dbraw/zinc/99/54/07/700995407.db2.gz HDTHJMTZJVBSPF-IAGOWNOFSA-N 2 1 337.508 1.460 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980741 701020916 /nfs/dbraw/zinc/02/09/16/701020916.db2.gz XGLVHAPCKMGKBA-JYJNAYRXSA-N 2 1 325.497 1.580 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980741 701020918 /nfs/dbraw/zinc/02/09/18/701020918.db2.gz XGLVHAPCKMGKBA-JYJNAYRXSA-N 2 1 325.497 1.580 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980741 701020919 /nfs/dbraw/zinc/02/09/19/701020919.db2.gz XGLVHAPCKMGKBA-JYJNAYRXSA-N 2 1 325.497 1.580 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3cccnc3)C2)C1 ZINC001031918969 701039344 /nfs/dbraw/zinc/03/93/44/701039344.db2.gz ZFNRBQXFBCSMLL-SFHVURJKSA-N 2 1 330.476 1.752 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3cccnc3)C2)C1 ZINC001031918969 701039346 /nfs/dbraw/zinc/03/93/46/701039346.db2.gz ZFNRBQXFBCSMLL-SFHVURJKSA-N 2 1 330.476 1.752 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO)CC1(C)C ZINC000941157457 701221180 /nfs/dbraw/zinc/22/11/80/701221180.db2.gz CJDKLQXKERURRW-DLBZAZTESA-N 2 1 339.524 1.850 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000941157457 701221182 /nfs/dbraw/zinc/22/11/82/701221182.db2.gz CJDKLQXKERURRW-DLBZAZTESA-N 2 1 339.524 1.850 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941157457 701221184 /nfs/dbraw/zinc/22/11/84/701221184.db2.gz CJDKLQXKERURRW-DLBZAZTESA-N 2 1 339.524 1.850 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC000999169852 706598887 /nfs/dbraw/zinc/59/88/87/706598887.db2.gz VPDQYXDZCMDUBM-DQPZFDDXSA-N 2 1 347.463 1.331 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941217390 701403827 /nfs/dbraw/zinc/40/38/27/701403827.db2.gz NPRUYWZPUWJREM-CVEARBPZSA-N 2 1 333.480 1.052 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941217390 701403828 /nfs/dbraw/zinc/40/38/28/701403828.db2.gz NPRUYWZPUWJREM-CVEARBPZSA-N 2 1 333.480 1.052 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941217390 701403829 /nfs/dbraw/zinc/40/38/29/701403829.db2.gz NPRUYWZPUWJREM-CVEARBPZSA-N 2 1 333.480 1.052 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cncc(F)c3)CC2(C)C)C1 ZINC000941218218 701408916 /nfs/dbraw/zinc/40/89/16/701408916.db2.gz XDGCMEGIGHXILI-WBVHZDCISA-N 2 1 348.466 1.889 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cncc(F)c3)CC2(C)C)C1 ZINC000941218218 701408917 /nfs/dbraw/zinc/40/89/17/701408917.db2.gz XDGCMEGIGHXILI-WBVHZDCISA-N 2 1 348.466 1.889 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cncc(F)c3)CC2(C)C)C1 ZINC000941218218 701408918 /nfs/dbraw/zinc/40/89/18/701408918.db2.gz XDGCMEGIGHXILI-WBVHZDCISA-N 2 1 348.466 1.889 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cncc(F)c3)CC2(C)C)C1 ZINC000941218218 701408919 /nfs/dbraw/zinc/40/89/19/701408919.db2.gz XDGCMEGIGHXILI-WBVHZDCISA-N 2 1 348.466 1.889 20 0 EDADMP CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408876 701521281 /nfs/dbraw/zinc/52/12/81/701521281.db2.gz WRGAKGYVQLRRBI-ZWKOTPCHSA-N 2 1 348.535 1.489 20 0 EDADMP CCC[NH+]1CC(N2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)CC2)C1 ZINC000941414493 701529069 /nfs/dbraw/zinc/52/90/69/701529069.db2.gz SKLZJEKVVZTQNJ-INIZCTEOSA-N 2 1 347.507 1.635 20 0 EDADMP CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456672 701543101 /nfs/dbraw/zinc/54/31/01/701543101.db2.gz RWMSZTAGFUNBDL-WMZOPIPTSA-N 2 1 334.508 1.242 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cs1 ZINC000999174060 706605506 /nfs/dbraw/zinc/60/55/06/706605506.db2.gz NTTPLRIJKZTQEG-WBVHZDCISA-N 2 1 348.516 1.874 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cc(C)cc(C)c3)C2)C1 ZINC001032197736 701741931 /nfs/dbraw/zinc/74/19/31/701741931.db2.gz UPRIFDJKKFCCAT-LJQANCHMSA-N 2 1 345.487 1.572 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cc(C)cc(C)c3)C2)C1 ZINC001032197736 701741938 /nfs/dbraw/zinc/74/19/38/701741938.db2.gz UPRIFDJKKFCCAT-LJQANCHMSA-N 2 1 345.487 1.572 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1C[NH+](CC[C@H]3CCOC3)C1)C2 ZINC001031978049 701984487 /nfs/dbraw/zinc/98/44/87/701984487.db2.gz MZPMCIJLLROARQ-RDJZCZTQSA-N 2 1 346.475 1.229 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001031978306 702079224 /nfs/dbraw/zinc/07/92/24/702079224.db2.gz RSGYYSUGCQJULZ-KXBFYZLASA-N 2 1 344.503 1.498 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2(C)C)o1 ZINC000995823193 702093376 /nfs/dbraw/zinc/09/33/76/702093376.db2.gz LGWDBUFOXQHGPD-HOTGVXAUSA-N 2 1 346.475 1.651 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2(C)C)no1 ZINC000995820105 702137351 /nfs/dbraw/zinc/13/73/51/702137351.db2.gz GCHOFYHLYFHROH-IRXDYDNUSA-N 2 1 346.475 1.651 20 0 EDADMP CC(C)C[NH2+][C@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1(C)C ZINC000995897237 702201758 /nfs/dbraw/zinc/20/17/58/702201758.db2.gz QHRDXXOGUGHZTI-HOTGVXAUSA-N 2 1 335.496 1.296 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)co1 ZINC000995900758 702207382 /nfs/dbraw/zinc/20/73/82/702207382.db2.gz ZBFQWHYAQUKMEW-HZPDHXFCSA-N 2 1 334.464 1.650 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)n1 ZINC000995930121 702260447 /nfs/dbraw/zinc/26/04/47/702260447.db2.gz ZLMMJJFDUNKKGS-WBVHZDCISA-N 2 1 347.507 1.698 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)on1 ZINC000995916035 702276375 /nfs/dbraw/zinc/27/63/75/702276375.db2.gz HSRTUXGXDAWDKY-MRXNPFEDSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ccccc1OCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186081 702313994 /nfs/dbraw/zinc/31/39/94/702313994.db2.gz HNTRSBAWVOUHJE-QGZVFWFLSA-N 2 1 331.460 1.374 20 0 EDADMP Cn1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995972943 702357425 /nfs/dbraw/zinc/35/74/25/702357425.db2.gz FJMJTEDYCUOBFJ-HOTGVXAUSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944169112 702410448 /nfs/dbraw/zinc/41/04/48/702410448.db2.gz MDTKDBJFDCJHFZ-GDBMZVCRSA-N 2 1 343.475 1.207 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)no1 ZINC000944152901 702439733 /nfs/dbraw/zinc/43/97/33/702439733.db2.gz FCRADFKMUPGUSA-BBRMVZONSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)no1 ZINC000944152901 702439738 /nfs/dbraw/zinc/43/97/38/702439738.db2.gz FCRADFKMUPGUSA-BBRMVZONSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2conc2C)C(C)(C)C1 ZINC000996041905 702458643 /nfs/dbraw/zinc/45/86/43/702458643.db2.gz ILMUFDBTENAMPJ-OAHLLOKOSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000999225656 706684321 /nfs/dbraw/zinc/68/43/21/706684321.db2.gz ZDDSQICNQQPFBG-LRVUVFPRSA-N 2 1 349.479 1.892 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CCCOC2)CC1 ZINC001032666119 706679783 /nfs/dbraw/zinc/67/97/83/706679783.db2.gz WYWOOLQBPLICRZ-BZSNNMDCSA-N 2 1 335.492 1.430 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CCO ZINC000996187648 702592610 /nfs/dbraw/zinc/59/26/10/702592610.db2.gz CQYLXCYIVMHWRZ-DLBZAZTESA-N 2 1 337.508 1.602 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@@H]1[NH2+]CCO ZINC000996187656 702592862 /nfs/dbraw/zinc/59/28/62/702592862.db2.gz CQYLXCYIVMHWRZ-IRXDYDNUSA-N 2 1 337.508 1.602 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)CC[N@H+]1C ZINC000996195792 702622299 /nfs/dbraw/zinc/62/22/99/702622299.db2.gz KRELKHNDPYQHFP-XIRDDKMYSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]([NH2+]CCn3cccn3)C(C)(C)C2)CC[N@H+]1C ZINC000996199268 702625760 /nfs/dbraw/zinc/62/57/60/702625760.db2.gz YZJILNQKVNURGV-YESZJQIVSA-N 2 1 347.507 1.440 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)nn1C ZINC000996299693 702690354 /nfs/dbraw/zinc/69/03/54/702690354.db2.gz CGBUYQDKVPUYTF-YOEHRIQHSA-N 2 1 347.507 1.397 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cnns3)C(C)(C)C2)C1 ZINC000996299825 702690642 /nfs/dbraw/zinc/69/06/42/702690642.db2.gz DWSHGEIQNRWLAH-GXTWGEPZSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3ccnn3C)C(C)(C)C2)C1 ZINC000996299891 702691285 /nfs/dbraw/zinc/69/12/85/702691285.db2.gz GHJSHWMRUZUNEY-HOCLYGCPSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC000996300672 702692686 /nfs/dbraw/zinc/69/26/86/702692686.db2.gz OGSIVBOYNCCKSO-CJNGLKHVSA-N 2 1 334.464 1.794 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996302675 702694880 /nfs/dbraw/zinc/69/48/80/702694880.db2.gz YRHWRBZSQJPFCE-HIFRSBDPSA-N 2 1 336.505 1.954 20 0 EDADMP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccon3)C(C)(C)C2)C1 ZINC000996309871 702699442 /nfs/dbraw/zinc/69/94/42/702699442.db2.gz LFPCCCZSEDFDJQ-OAHLLOKOSA-N 2 1 334.464 1.733 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccon3)C(C)(C)C2)C1 ZINC000996309871 702699443 /nfs/dbraw/zinc/69/94/43/702699443.db2.gz LFPCCCZSEDFDJQ-OAHLLOKOSA-N 2 1 334.464 1.733 20 0 EDADMP Cc1ncoc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995215823 702727511 /nfs/dbraw/zinc/72/75/11/702727511.db2.gz UETYFJTVQHPGIB-LSDHHAIUSA-N 2 1 331.420 1.563 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942260242 702769856 /nfs/dbraw/zinc/76/98/56/702769856.db2.gz XXTXUALOYNBGBH-RDJZCZTQSA-N 2 1 345.491 1.375 20 0 EDADMP CCn1ncc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC000996462994 702790449 /nfs/dbraw/zinc/79/04/49/702790449.db2.gz DOVYKXQHKXOBHY-QGZVFWFLSA-N 2 1 348.495 1.251 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000996506373 702827390 /nfs/dbraw/zinc/82/73/90/702827390.db2.gz LJYNOEVTFYOURJ-JKSUJKDBSA-N 2 1 325.497 1.460 20 0 EDADMP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996522210 702857790 /nfs/dbraw/zinc/85/77/90/702857790.db2.gz YJJGIERPDZFLLH-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ccn(CC)n3)CC2)CC[N@H+]1C ZINC000996602779 702904333 /nfs/dbraw/zinc/90/43/33/702904333.db2.gz GIWYQQJXGVAVES-ZWKOTPCHSA-N 2 1 347.507 1.714 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ccns3)CC2)CC[N@H+]1C ZINC000996601903 702908800 /nfs/dbraw/zinc/90/88/00/702908800.db2.gz BCSCTIIDKUNUMN-JKSUJKDBSA-N 2 1 336.505 1.954 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cn(CC)nn3)CC2)CC[N@H+]1C ZINC000996603411 702912727 /nfs/dbraw/zinc/91/27/27/702912727.db2.gz LOOLEFPCWWFWMH-DLBZAZTESA-N 2 1 348.495 1.109 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996625396 702928849 /nfs/dbraw/zinc/92/88/49/702928849.db2.gz RVLOJYRDZLREMH-INIZCTEOSA-N 2 1 327.432 1.613 20 0 EDADMP COc1nccc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000996667181 702964284 /nfs/dbraw/zinc/96/42/84/702964284.db2.gz YEAUIKBPUOUEQA-UHFFFAOYSA-N 2 1 347.463 1.050 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000996667759 702964859 /nfs/dbraw/zinc/96/48/59/702964859.db2.gz YFHGSCOJXDXODV-QGZVFWFLSA-N 2 1 347.507 1.479 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1)C1CCC1 ZINC000996673564 702968864 /nfs/dbraw/zinc/96/88/64/702968864.db2.gz VMHOWMDUPBHDSR-QGZVFWFLSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000996691172 702988427 /nfs/dbraw/zinc/98/84/27/702988427.db2.gz BFRKYWVFXAPJOE-WFASDCNBSA-N 2 1 337.468 1.606 20 0 EDADMP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000996725144 703019798 /nfs/dbraw/zinc/01/97/98/703019798.db2.gz SEKFQGBCOIZRSX-VJFUWPCTSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)n1 ZINC000996762343 703054123 /nfs/dbraw/zinc/05/41/23/703054123.db2.gz KWJRTKVOEXITMS-INIZCTEOSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)n1 ZINC000996762343 703054125 /nfs/dbraw/zinc/05/41/25/703054125.db2.gz KWJRTKVOEXITMS-INIZCTEOSA-N 2 1 349.479 1.579 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556265 703070670 /nfs/dbraw/zinc/07/06/70/703070670.db2.gz YMIUAHZIYYNHPM-RDJZCZTQSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1nnc(CN2CCC([C@@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000996979012 703234060 /nfs/dbraw/zinc/23/40/60/703234060.db2.gz LFEQRGZDGKQMLY-DOMZBBRYSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1nnc(CN2CCC([C@@H](C)NC(=O)[C@@H]3CCCN3C)CC2)o1 ZINC000996979012 703234062 /nfs/dbraw/zinc/23/40/62/703234062.db2.gz LFEQRGZDGKQMLY-DOMZBBRYSA-N 2 1 335.452 1.189 20 0 EDADMP CCn1ccnc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000996993804 703250318 /nfs/dbraw/zinc/25/03/18/703250318.db2.gz FPWYHZATDJVXSH-OAHLLOKOSA-N 2 1 333.480 1.468 20 0 EDADMP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000997006200 703263591 /nfs/dbraw/zinc/26/35/91/703263591.db2.gz FLJAKSHUYFKRGB-BBRMVZONSA-N 2 1 348.491 1.824 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)s1 ZINC000997006559 703263778 /nfs/dbraw/zinc/26/37/78/703263778.db2.gz MUNHXESNFWKYLT-GFCCVEGCSA-N 2 1 337.493 1.269 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000997003567 703267632 /nfs/dbraw/zinc/26/76/32/703267632.db2.gz BXLLFDWUQZISTH-OAHLLOKOSA-N 2 1 348.495 1.281 20 0 EDADMP Cc1ccnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997009373 703270158 /nfs/dbraw/zinc/27/01/58/703270158.db2.gz ZWPNBCGVEIHDDM-CQSZACIVSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)no1 ZINC000997058437 703303694 /nfs/dbraw/zinc/30/36/94/703303694.db2.gz QSSJTAPJGRBGFB-CYBMUJFWSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)n1 ZINC000997063211 703308319 /nfs/dbraw/zinc/30/83/19/703308319.db2.gz OVQDLDBEAUIEAB-INIZCTEOSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)n1 ZINC000997063211 703308322 /nfs/dbraw/zinc/30/83/22/703308322.db2.gz OVQDLDBEAUIEAB-INIZCTEOSA-N 2 1 349.479 1.722 20 0 EDADMP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000997086612 703332154 /nfs/dbraw/zinc/33/21/54/703332154.db2.gz AHFHALAXFDUNIY-SJLPKXTDSA-N 2 1 345.491 1.518 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1)CC2 ZINC000997275912 703535669 /nfs/dbraw/zinc/53/56/69/703535669.db2.gz BKUUFAVSVJRPHX-RHSMWYFYSA-N 2 1 348.491 1.353 20 0 EDADMP CC[C@@H](C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC000997261471 703540309 /nfs/dbraw/zinc/54/03/09/703540309.db2.gz QXHOVHCTRRQLSG-HYVNUMGLSA-N 2 1 325.497 1.722 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3F)CC2)C1 ZINC000997300858 703544167 /nfs/dbraw/zinc/54/41/67/703544167.db2.gz YNRGIPIFKLDWKC-KBXCAEBGSA-N 2 1 349.450 1.391 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2noc(C)n2)CC1 ZINC000997367120 703601530 /nfs/dbraw/zinc/60/15/30/703601530.db2.gz ULHUPISBOSCIGY-CJNGLKHVSA-N 2 1 349.479 1.894 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2noc(C)n2)CC1 ZINC000997367120 703601531 /nfs/dbraw/zinc/60/15/31/703601531.db2.gz ULHUPISBOSCIGY-CJNGLKHVSA-N 2 1 349.479 1.894 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C2CC[NH+](C/C=C\Cl)CC2)C1 ZINC000997437586 703665893 /nfs/dbraw/zinc/66/58/93/703665893.db2.gz ZFGJFJZTSVEZRX-ULJGCTHBSA-N 2 1 343.899 1.676 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C2CC[NH+](C/C=C\Cl)CC2)C1 ZINC000997437586 703665894 /nfs/dbraw/zinc/66/58/94/703665894.db2.gz ZFGJFJZTSVEZRX-ULJGCTHBSA-N 2 1 343.899 1.676 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000997515839 703763535 /nfs/dbraw/zinc/76/35/35/703763535.db2.gz NVEWUVCYIZVFRO-DOTOQJQBSA-N 2 1 333.480 1.194 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997612935 703910660 /nfs/dbraw/zinc/91/06/60/703910660.db2.gz MYYAKFMZFSTEKM-AWEZNQCLSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000997612935 703910661 /nfs/dbraw/zinc/91/06/61/703910661.db2.gz MYYAKFMZFSTEKM-AWEZNQCLSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000997610945 703910710 /nfs/dbraw/zinc/91/07/10/703910710.db2.gz AUVCYAQOMFRYHZ-HIFRSBDPSA-N 2 1 348.495 1.351 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000922533044 703933903 /nfs/dbraw/zinc/93/39/03/703933903.db2.gz MCNZUFDTKVYOHE-ZBFHGGJFSA-N 2 1 326.485 1.268 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922533044 703933906 /nfs/dbraw/zinc/93/39/06/703933906.db2.gz MCNZUFDTKVYOHE-ZBFHGGJFSA-N 2 1 326.485 1.268 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000922533044 703933910 /nfs/dbraw/zinc/93/39/10/703933910.db2.gz MCNZUFDTKVYOHE-ZBFHGGJFSA-N 2 1 326.485 1.268 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccc(F)cc3)CC2)C1 ZINC000997644713 703953227 /nfs/dbraw/zinc/95/32/27/703953227.db2.gz KLOLKKIYMVKYDE-GOSISDBHSA-N 2 1 349.450 1.485 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccc(F)cc3)CC2)C1 ZINC000997644713 703953229 /nfs/dbraw/zinc/95/32/29/703953229.db2.gz KLOLKKIYMVKYDE-GOSISDBHSA-N 2 1 349.450 1.485 20 0 EDADMP Cc1csc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995551507 703957385 /nfs/dbraw/zinc/95/73/85/703957385.db2.gz NRUNXXVQYUVAGO-KBPBESRZSA-N 2 1 336.505 1.872 20 0 EDADMP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)o1 ZINC000995551960 703958746 /nfs/dbraw/zinc/95/87/46/703958746.db2.gz PBOHZLFEUFCFQF-GOEBONIOSA-N 2 1 348.491 1.966 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCC(F)(F)C1 ZINC001032522002 703975792 /nfs/dbraw/zinc/97/57/92/703975792.db2.gz PTWVBWIOKABFPX-ILXRZTDVSA-N 2 1 338.402 1.912 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCC(F)(F)C1 ZINC001032522002 703975794 /nfs/dbraw/zinc/97/57/94/703975794.db2.gz PTWVBWIOKABFPX-ILXRZTDVSA-N 2 1 338.402 1.912 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033071234 704092187 /nfs/dbraw/zinc/09/21/87/704092187.db2.gz XVGODGUANCUMOI-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033071234 704092190 /nfs/dbraw/zinc/09/21/90/704092190.db2.gz XVGODGUANCUMOI-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033071234 704092192 /nfs/dbraw/zinc/09/21/92/704092192.db2.gz XVGODGUANCUMOI-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)on1 ZINC000999294362 706791581 /nfs/dbraw/zinc/79/15/81/706791581.db2.gz SFPXIFCVVYYJNY-FXQLRMTLSA-N 2 1 334.464 1.792 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033081033 704135842 /nfs/dbraw/zinc/13/58/42/704135842.db2.gz KZLHRUNAWDTVEL-SJLPKXTDSA-N 2 1 346.475 1.666 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001033082292 704139134 /nfs/dbraw/zinc/13/91/34/704139134.db2.gz PWLFUSFQZHSEQQ-RTBURBONSA-N 2 1 342.487 1.765 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3cnnn3CC)C2)CC[N@H+]1C ZINC001033095757 704183363 /nfs/dbraw/zinc/18/33/63/704183363.db2.gz DTUZYGYTVZYLMN-BHYGNILZSA-N 2 1 348.495 1.061 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2(C)C)cc1 ZINC000995586915 704551805 /nfs/dbraw/zinc/55/18/05/704551805.db2.gz JNXOKQWRUZVLGE-ZWKOTPCHSA-N 2 1 345.487 1.652 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2(C)C)cc1 ZINC000995586915 704551808 /nfs/dbraw/zinc/55/18/08/704551808.db2.gz JNXOKQWRUZVLGE-ZWKOTPCHSA-N 2 1 345.487 1.652 20 0 EDADMP C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC[NH+](Cc2ccon2)CC1 ZINC000997733643 704631523 /nfs/dbraw/zinc/63/15/23/704631523.db2.gz BIYMXFZPJZDUMF-AWEZNQCLSA-N 2 1 334.464 1.733 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)ncn1 ZINC000997793182 704699274 /nfs/dbraw/zinc/69/92/74/704699274.db2.gz NFYZGOVEMIBVCA-CRAIPNDOSA-N 2 1 345.491 1.453 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccnn3C)CC2)CC[N@H+]1C ZINC000997791925 704700245 /nfs/dbraw/zinc/70/02/45/704700245.db2.gz BLEMKDQTDXYUSR-ZWKOTPCHSA-N 2 1 347.507 1.479 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000997792043 704700319 /nfs/dbraw/zinc/70/03/19/704700319.db2.gz FCTARSBQNHNPPA-UKRRQHHQSA-N 2 1 349.479 1.300 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000997792043 704700320 /nfs/dbraw/zinc/70/03/20/704700320.db2.gz FCTARSBQNHNPPA-UKRRQHHQSA-N 2 1 349.479 1.300 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC000997793297 704700700 /nfs/dbraw/zinc/70/07/00/704700700.db2.gz PFUPNBCTCAFRII-BFYDXBDKSA-N 2 1 345.491 1.706 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]C[C@@H]2C[C@@]23CCOC3)CC1)C1CCC1 ZINC000997831451 704749502 /nfs/dbraw/zinc/74/95/02/704749502.db2.gz SHYVLOPBMXVSBJ-FXAWDEMLSA-N 2 1 349.519 1.726 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997831522 704749875 /nfs/dbraw/zinc/74/98/75/704749875.db2.gz UQXXRHFBUZFUQE-IRXDYDNUSA-N 2 1 346.475 1.625 20 0 EDADMP Cc1nonc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997863676 704770864 /nfs/dbraw/zinc/77/08/64/704770864.db2.gz DDEUCNGJIIXLHI-INIZCTEOSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)c(C)o1 ZINC000944946258 704799246 /nfs/dbraw/zinc/79/92/46/704799246.db2.gz WDTDGGYYTOSLJO-XJKSGUPXSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)c(C)o1 ZINC000944946258 704799248 /nfs/dbraw/zinc/79/92/48/704799248.db2.gz WDTDGGYYTOSLJO-XJKSGUPXSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nccn1CC(=O)N[C@@H]1CC[N@H+](CCC(F)(F)F)C[C@@H]1C ZINC000944965641 704836492 /nfs/dbraw/zinc/83/64/92/704836492.db2.gz TVUHJLUVJRANGX-WCQYABFASA-N 2 1 332.370 1.971 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCC(F)(F)F)C[C@@H]1C ZINC000944965641 704836496 /nfs/dbraw/zinc/83/64/96/704836496.db2.gz TVUHJLUVJRANGX-WCQYABFASA-N 2 1 332.370 1.971 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCC(F)(F)F)C[C@@H]1C ZINC000944965641 704836501 /nfs/dbraw/zinc/83/65/01/704836501.db2.gz TVUHJLUVJRANGX-WCQYABFASA-N 2 1 332.370 1.971 20 0 EDADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997932340 705041444 /nfs/dbraw/zinc/04/14/44/705041444.db2.gz VKZIRJWBQPLMSR-HFCFLWKCSA-N 2 1 333.476 1.088 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC000998003897 705164754 /nfs/dbraw/zinc/16/47/54/705164754.db2.gz DYTZGXCCLMRCLX-YJBOKZPZSA-N 2 1 347.507 1.479 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998004313 705166063 /nfs/dbraw/zinc/16/60/63/705166063.db2.gz LJAZRCHZHHNDDY-DLBZAZTESA-N 2 1 325.497 1.555 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CCC[NH+](CCO)CC1 ZINC000998004313 705166065 /nfs/dbraw/zinc/16/60/65/705166065.db2.gz LJAZRCHZHHNDDY-DLBZAZTESA-N 2 1 325.497 1.555 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CCC[NH+](CCO)CC1 ZINC000998004313 705166066 /nfs/dbraw/zinc/16/60/66/705166066.db2.gz LJAZRCHZHHNDDY-DLBZAZTESA-N 2 1 325.497 1.555 20 0 EDADMP CCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998029510 705213168 /nfs/dbraw/zinc/21/31/68/705213168.db2.gz FQVUXMFGFBMQPO-HOTGVXAUSA-N 2 1 334.464 1.456 20 0 EDADMP CCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998029510 705213170 /nfs/dbraw/zinc/21/31/70/705213170.db2.gz FQVUXMFGFBMQPO-HOTGVXAUSA-N 2 1 334.464 1.456 20 0 EDADMP Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998076595 705296433 /nfs/dbraw/zinc/29/64/33/705296433.db2.gz AKVFCQRRAQQWFG-YOEHRIQHSA-N 2 1 345.491 1.311 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC000998081611 705302361 /nfs/dbraw/zinc/30/23/61/705302361.db2.gz KQTBJISKEFPXNZ-AEFFLSMTSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000998081265 705302650 /nfs/dbraw/zinc/30/26/50/705302650.db2.gz IBNGRLMZJRMFAZ-KBXCAEBGSA-N 2 1 348.466 1.747 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000998082586 705310060 /nfs/dbraw/zinc/31/00/60/705310060.db2.gz RFNHUACOLZUWQY-HNNXBMFYSA-N 2 1 333.480 1.090 20 0 EDADMP Cc1ncccc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000998083100 705311796 /nfs/dbraw/zinc/31/17/96/705311796.db2.gz UUPIUSIJZKWMKE-BEFAXECRSA-N 2 1 344.503 1.916 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCC[C@@H]3CCOC3)C2)CC1 ZINC001015898512 705419856 /nfs/dbraw/zinc/41/98/56/705419856.db2.gz FRIBHMCITLRVJV-QZTJIDSGSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000998269951 705647364 /nfs/dbraw/zinc/64/73/64/705647364.db2.gz RZFJKTPTWSGNJE-UHFFFAOYSA-N 2 1 333.461 1.676 20 0 EDADMP CCCc1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998273411 705654020 /nfs/dbraw/zinc/65/40/20/705654020.db2.gz PWTDDOHATLVJRY-OAHLLOKOSA-N 2 1 349.479 1.302 20 0 EDADMP CCCc1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998273411 705654022 /nfs/dbraw/zinc/65/40/22/705654022.db2.gz PWTDDOHATLVJRY-OAHLLOKOSA-N 2 1 349.479 1.302 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]C(C)C)C1 ZINC000998277993 705664481 /nfs/dbraw/zinc/66/44/81/705664481.db2.gz FOGYLWFWXQTZQM-STQMWFEESA-N 2 1 332.370 1.969 20 0 EDADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000925343293 705719012 /nfs/dbraw/zinc/71/90/12/705719012.db2.gz HKHQIWFKIVNNFY-OVYGPGRDSA-N 2 1 338.496 1.362 20 0 EDADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000925343293 705719014 /nfs/dbraw/zinc/71/90/14/705719014.db2.gz HKHQIWFKIVNNFY-OVYGPGRDSA-N 2 1 338.496 1.362 20 0 EDADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000925343293 705719017 /nfs/dbraw/zinc/71/90/17/705719017.db2.gz HKHQIWFKIVNNFY-OVYGPGRDSA-N 2 1 338.496 1.362 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1N(C)C)[NH+](C)C ZINC001032634532 705898113 /nfs/dbraw/zinc/89/81/13/705898113.db2.gz MFZPTDIZDUMVLI-BZSNNMDCSA-N 2 1 344.503 1.878 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1N(C)C)[NH+](C)C ZINC001032634532 705898118 /nfs/dbraw/zinc/89/81/18/705898118.db2.gz MFZPTDIZDUMVLI-BZSNNMDCSA-N 2 1 344.503 1.878 20 0 EDADMP CN(C)c1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998721074 706148336 /nfs/dbraw/zinc/14/83/36/706148336.db2.gz KZMLNKKTLMIBTH-HKUYNNGSSA-N 2 1 344.503 1.927 20 0 EDADMP CC(C)Cn1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998720196 706152605 /nfs/dbraw/zinc/15/26/05/706152605.db2.gz IRGRAHFLIHFMSE-HOTGVXAUSA-N 2 1 348.495 1.109 20 0 EDADMP CC(C)Cn1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998720196 706152608 /nfs/dbraw/zinc/15/26/08/706152608.db2.gz IRGRAHFLIHFMSE-HOTGVXAUSA-N 2 1 348.495 1.109 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC000998721577 706157075 /nfs/dbraw/zinc/15/70/75/706157075.db2.gz MWCHDAVJRSYFRP-YPMHNXCESA-N 2 1 342.896 1.971 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC000998730776 706163244 /nfs/dbraw/zinc/16/32/44/706163244.db2.gz KTFPLASYYXSFJA-HUUCEWRRSA-N 2 1 339.871 1.211 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CC3CC(F)(F)C3)C2)O1 ZINC000998985265 706403122 /nfs/dbraw/zinc/40/31/22/706403122.db2.gz XEURXKYGZGFKMN-GALLPEHLSA-N 2 1 345.434 1.330 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CC3CC(F)(F)C3)C2)O1 ZINC000998985265 706403124 /nfs/dbraw/zinc/40/31/24/706403124.db2.gz XEURXKYGZGFKMN-GALLPEHLSA-N 2 1 345.434 1.330 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000998994883 706412204 /nfs/dbraw/zinc/41/22/04/706412204.db2.gz LZFGIRDRIPWEJR-VMBOVVBDSA-N 2 1 334.464 1.855 20 0 EDADMP C[C@H]([NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1)c1nc(C2CC2)no1 ZINC000999834773 707468258 /nfs/dbraw/zinc/46/82/58/707468258.db2.gz WBARAQOYEUNDHO-GRTSSRMGSA-N 2 1 347.463 1.683 20 0 EDADMP C[C@@H]([NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1)c1ncccn1 ZINC000999049071 706469364 /nfs/dbraw/zinc/46/93/64/706469364.db2.gz BVAGLWCVMRSUQT-QQFBHYJXSA-N 2 1 343.475 1.745 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC000999128649 706530421 /nfs/dbraw/zinc/53/04/21/706530421.db2.gz YTFJNOZREUPBNP-UHFFFAOYSA-N 2 1 345.447 1.830 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000999144142 706557590 /nfs/dbraw/zinc/55/75/90/706557590.db2.gz JLLHLAUQHQVBCS-ROUUACIJSA-N 2 1 347.507 1.416 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)s1 ZINC000999320496 706820557 /nfs/dbraw/zinc/82/05/57/706820557.db2.gz ZQPBHUKUCHWGRZ-CQSZACIVSA-N 2 1 333.461 1.888 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ncccn1 ZINC000999354776 706843872 /nfs/dbraw/zinc/84/38/72/706843872.db2.gz RXSZELQCEAATCF-LSDHHAIUSA-N 2 1 331.464 1.603 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999355260 706844810 /nfs/dbraw/zinc/84/48/10/706844810.db2.gz TZHLYWJCGVPNNM-ROUUACIJSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)[nH]1 ZINC000999356151 706846206 /nfs/dbraw/zinc/84/62/06/706846206.db2.gz YOUSPCRTGGIMIS-HOTGVXAUSA-N 2 1 348.495 1.457 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)[nH]1 ZINC000999356151 706846210 /nfs/dbraw/zinc/84/62/10/706846210.db2.gz YOUSPCRTGGIMIS-HOTGVXAUSA-N 2 1 348.495 1.457 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)c(C)o1 ZINC000999349394 706861364 /nfs/dbraw/zinc/86/13/64/706861364.db2.gz SNUQHPVBUILTMD-OAHLLOKOSA-N 2 1 334.464 1.856 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC000999362537 706876111 /nfs/dbraw/zinc/87/61/11/706876111.db2.gz BDUQKZKLFATOAI-DOTOQJQBSA-N 2 1 348.495 1.280 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2coc(C3CC3)n2)C1)C1CC1 ZINC000999371982 706886486 /nfs/dbraw/zinc/88/64/86/706886486.db2.gz NRSHESKMJMYRND-RDJZCZTQSA-N 2 1 346.475 1.973 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]CCc2ccns2)C1 ZINC000999405770 706914933 /nfs/dbraw/zinc/91/49/33/706914933.db2.gz HWNLFASEAZCENH-WLYUNCDWSA-N 2 1 336.505 1.749 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc(C)[nH+]1 ZINC001060879629 706987803 /nfs/dbraw/zinc/98/78/03/706987803.db2.gz JMUQFEQROOALQA-HUUCEWRRSA-N 2 1 331.464 1.560 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc(C)[nH+]1 ZINC001060879629 706987806 /nfs/dbraw/zinc/98/78/06/706987806.db2.gz JMUQFEQROOALQA-HUUCEWRRSA-N 2 1 331.464 1.560 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)ccn1 ZINC000999507766 707005297 /nfs/dbraw/zinc/00/52/97/707005297.db2.gz DXGVEDRPNCYNGG-IAGOWNOFSA-N 2 1 346.475 1.655 20 0 EDADMP CCn1ncc(C[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC000999508203 707005677 /nfs/dbraw/zinc/00/56/77/707005677.db2.gz HKYQSQXLUFJIPR-UHFFFAOYSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)c(C)o1 ZINC000999508283 707005889 /nfs/dbraw/zinc/00/58/89/707005889.db2.gz GWXDNLPKASEKGU-DOTOQJQBSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)c(C)o1 ZINC000999508283 707005897 /nfs/dbraw/zinc/00/58/97/707005897.db2.gz GWXDNLPKASEKGU-DOTOQJQBSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999490683 707027365 /nfs/dbraw/zinc/02/73/65/707027365.db2.gz RZDHTNKVCKLNLR-HNNXBMFYSA-N 2 1 347.463 1.335 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccon2)C1 ZINC000999576141 707082945 /nfs/dbraw/zinc/08/29/45/707082945.db2.gz TUMIAGQMAXMNPH-IRXDYDNUSA-N 2 1 334.464 1.876 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccon2)C1 ZINC000999576141 707082948 /nfs/dbraw/zinc/08/29/48/707082948.db2.gz TUMIAGQMAXMNPH-IRXDYDNUSA-N 2 1 334.464 1.876 20 0 EDADMP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)ncc4C3)CC[C@@H]2C1 ZINC000946779217 707238067 /nfs/dbraw/zinc/23/80/67/707238067.db2.gz JYWYTKLPRGNZPA-YESZJQIVSA-N 2 1 330.476 1.944 20 0 EDADMP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CC[C@@H]2C1 ZINC000946779217 707238071 /nfs/dbraw/zinc/23/80/71/707238071.db2.gz JYWYTKLPRGNZPA-YESZJQIVSA-N 2 1 330.476 1.944 20 0 EDADMP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CC[C@@H]2C1 ZINC000946779217 707238077 /nfs/dbraw/zinc/23/80/77/707238077.db2.gz JYWYTKLPRGNZPA-YESZJQIVSA-N 2 1 330.476 1.944 20 0 EDADMP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000999687768 707241751 /nfs/dbraw/zinc/24/17/51/707241751.db2.gz JNOXXUACWCTIET-ODIFPOPNSA-N 2 1 331.464 1.206 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]2CC1 ZINC000946780127 707247469 /nfs/dbraw/zinc/24/74/69/707247469.db2.gz ZTZKGZZKXWWDLN-XLMAVXFVSA-N 2 1 346.475 1.543 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]2CC1 ZINC000946780127 707247471 /nfs/dbraw/zinc/24/74/71/707247471.db2.gz ZTZKGZZKXWWDLN-XLMAVXFVSA-N 2 1 346.475 1.543 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]2CC1 ZINC000946780127 707247474 /nfs/dbraw/zinc/24/74/74/707247474.db2.gz ZTZKGZZKXWWDLN-XLMAVXFVSA-N 2 1 346.475 1.543 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999714914 707252747 /nfs/dbraw/zinc/25/27/47/707252747.db2.gz QYQJUCUVQZJDLR-MRXNPFEDSA-N 2 1 331.395 1.506 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000999712069 707308455 /nfs/dbraw/zinc/30/84/55/707308455.db2.gz GLFFDQHPCJAJTQ-INIZCTEOSA-N 2 1 330.436 1.014 20 0 EDADMP CC(C)=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033276741 707341011 /nfs/dbraw/zinc/34/10/11/707341011.db2.gz GCGOOUYEXKCJIX-VZDIDWBNSA-N 2 1 333.476 1.349 20 0 EDADMP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033276741 707341015 /nfs/dbraw/zinc/34/10/15/707341015.db2.gz GCGOOUYEXKCJIX-VZDIDWBNSA-N 2 1 333.476 1.349 20 0 EDADMP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033276741 707341019 /nfs/dbraw/zinc/34/10/19/707341019.db2.gz GCGOOUYEXKCJIX-VZDIDWBNSA-N 2 1 333.476 1.349 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295741 707422343 /nfs/dbraw/zinc/42/23/43/707422343.db2.gz MQQYQRFBHSHUHY-ZWKOTPCHSA-N 2 1 346.475 1.890 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295741 707422346 /nfs/dbraw/zinc/42/23/46/707422346.db2.gz MQQYQRFBHSHUHY-ZWKOTPCHSA-N 2 1 346.475 1.890 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(F)cc3)C2)C1 ZINC000999860352 707431692 /nfs/dbraw/zinc/43/16/92/707431692.db2.gz ADZWZXSAKDPMPX-DAWZGUTISA-N 2 1 349.450 1.625 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(F)cc3)C2)C1 ZINC000999860352 707431694 /nfs/dbraw/zinc/43/16/94/707431694.db2.gz ADZWZXSAKDPMPX-DAWZGUTISA-N 2 1 349.450 1.625 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC000999833620 707463987 /nfs/dbraw/zinc/46/39/87/707463987.db2.gz AMVQTQZTDCOZNL-WLYUNCDWSA-N 2 1 348.495 1.064 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)s1 ZINC001033199013 707465023 /nfs/dbraw/zinc/46/50/23/707465023.db2.gz OZSKAJDIRBGJJF-GDBMZVCRSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)s1 ZINC001033199013 707465026 /nfs/dbraw/zinc/46/50/26/707465026.db2.gz OZSKAJDIRBGJJF-GDBMZVCRSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)s1 ZINC001033199013 707465031 /nfs/dbraw/zinc/46/50/31/707465031.db2.gz OZSKAJDIRBGJJF-GDBMZVCRSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)s1 ZINC001033199013 707465035 /nfs/dbraw/zinc/46/50/35/707465035.db2.gz OZSKAJDIRBGJJF-GDBMZVCRSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2cnccc2C)C1 ZINC000999834976 707468405 /nfs/dbraw/zinc/46/84/05/707468405.db2.gz AYVWGUNOXJXJFQ-UHFFFAOYSA-N 2 1 327.432 1.674 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999876836 707525344 /nfs/dbraw/zinc/52/53/44/707525344.db2.gz ULRCNRJBCNKZIG-ABHNRTSZSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946809153 707527285 /nfs/dbraw/zinc/52/72/85/707527285.db2.gz XBXPOJNYMQENMP-RYQLBKOJSA-N 2 1 337.508 1.270 20 0 EDADMP C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004879954 707553702 /nfs/dbraw/zinc/55/37/02/707553702.db2.gz TWWYXHKXIKRNRT-YJBOKZPZSA-N 2 1 347.507 1.764 20 0 EDADMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCF)C[C@H]3CC2)CC1 ZINC000946758192 707571523 /nfs/dbraw/zinc/57/15/23/707571523.db2.gz CUSIWTYTAXLAKZ-CALCHBBNSA-N 2 1 325.472 1.858 20 0 EDADMP O=C([C@@H]1CCC[C@@H]2CCC[NH+]21)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946818125 707574414 /nfs/dbraw/zinc/57/44/14/707574414.db2.gz FEMXQBGKTMPAML-HCXYKTFWSA-N 2 1 349.519 1.556 20 0 EDADMP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946818125 707574418 /nfs/dbraw/zinc/57/44/18/707574418.db2.gz FEMXQBGKTMPAML-HCXYKTFWSA-N 2 1 349.519 1.556 20 0 EDADMP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946818125 707574420 /nfs/dbraw/zinc/57/44/20/707574420.db2.gz FEMXQBGKTMPAML-HCXYKTFWSA-N 2 1 349.519 1.556 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)n3)C2)C1 ZINC000999976660 707591085 /nfs/dbraw/zinc/59/10/85/707591085.db2.gz YJMPXDKMNGRKAX-CVEARBPZSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)n3)C2)C1 ZINC000999976660 707591087 /nfs/dbraw/zinc/59/10/87/707591087.db2.gz YJMPXDKMNGRKAX-CVEARBPZSA-N 2 1 348.495 1.018 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)nc(C)[nH+]1 ZINC001060899335 707691882 /nfs/dbraw/zinc/69/18/82/707691882.db2.gz DOTPOWSQAKZPSU-GDBMZVCRSA-N 2 1 333.480 1.948 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1)C1CCC1 ZINC001033396105 707734367 /nfs/dbraw/zinc/73/43/67/707734367.db2.gz LSZAKDGDPKWECW-ROUUACIJSA-N 2 1 337.508 1.676 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033397386 707736843 /nfs/dbraw/zinc/73/68/43/707736843.db2.gz SADBSMFOEICQPN-MRXNPFEDSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033397386 707736849 /nfs/dbraw/zinc/73/68/49/707736849.db2.gz SADBSMFOEICQPN-MRXNPFEDSA-N 2 1 348.491 1.920 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccccc1)C12CC[NH+](CC1)C2 ZINC001032734127 707743281 /nfs/dbraw/zinc/74/32/81/707743281.db2.gz YASAVJMGPPGGGK-IRXDYDNUSA-N 2 1 341.455 1.446 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1)C12CC[NH+](CC1)C2 ZINC001032734127 707743284 /nfs/dbraw/zinc/74/32/84/707743284.db2.gz YASAVJMGPPGGGK-IRXDYDNUSA-N 2 1 341.455 1.446 20 0 EDADMP CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033420018 707830102 /nfs/dbraw/zinc/83/01/02/707830102.db2.gz FJQFTOQCBNUYGR-SFHVURJKSA-N 2 1 333.476 1.319 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001033422030 707835709 /nfs/dbraw/zinc/83/57/09/707835709.db2.gz FAVSMWMGGVUBDP-AEFFLSMTSA-N 2 1 347.507 1.517 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033422030 707835714 /nfs/dbraw/zinc/83/57/14/707835714.db2.gz FAVSMWMGGVUBDP-AEFFLSMTSA-N 2 1 347.507 1.517 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033422030 707835718 /nfs/dbraw/zinc/83/57/18/707835718.db2.gz FAVSMWMGGVUBDP-AEFFLSMTSA-N 2 1 347.507 1.517 20 0 EDADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536060 707891972 /nfs/dbraw/zinc/89/19/72/707891972.db2.gz GCIWSMDSFNDBBY-ZJPYXAASSA-N 2 1 337.508 1.534 20 0 EDADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536060 707891976 /nfs/dbraw/zinc/89/19/76/707891976.db2.gz GCIWSMDSFNDBBY-ZJPYXAASSA-N 2 1 337.508 1.534 20 0 EDADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536060 707891980 /nfs/dbraw/zinc/89/19/80/707891980.db2.gz GCIWSMDSFNDBBY-ZJPYXAASSA-N 2 1 337.508 1.534 20 0 EDADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536060 707891981 /nfs/dbraw/zinc/89/19/81/707891981.db2.gz GCIWSMDSFNDBBY-ZJPYXAASSA-N 2 1 337.508 1.534 20 0 EDADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033508781 707981517 /nfs/dbraw/zinc/98/15/17/707981517.db2.gz OTJRCBGGIHRUMU-WMLDXEAASA-N 2 1 346.475 1.029 20 0 EDADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033508781 707981519 /nfs/dbraw/zinc/98/15/19/707981519.db2.gz OTJRCBGGIHRUMU-WMLDXEAASA-N 2 1 346.475 1.029 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1cnn(C)c1 ZINC001032802716 708089351 /nfs/dbraw/zinc/08/93/51/708089351.db2.gz LDSSXVDDXVQFFA-OKZBNKHCSA-N 2 1 345.491 1.122 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1cnn(C)c1 ZINC001032802716 708089354 /nfs/dbraw/zinc/08/93/54/708089354.db2.gz LDSSXVDDXVQFFA-OKZBNKHCSA-N 2 1 345.491 1.122 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1cnn(C)c1 ZINC001032802716 708089358 /nfs/dbraw/zinc/08/93/58/708089358.db2.gz LDSSXVDDXVQFFA-OKZBNKHCSA-N 2 1 345.491 1.122 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1cnn(C)c1 ZINC001032802716 708089362 /nfs/dbraw/zinc/08/93/62/708089362.db2.gz LDSSXVDDXVQFFA-OKZBNKHCSA-N 2 1 345.491 1.122 20 0 EDADMP Cc1cc(NC[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nc(C)[nH+]1 ZINC001060991631 708112639 /nfs/dbraw/zinc/11/26/39/708112639.db2.gz JANRHELVDTZNBK-XJKSGUPXSA-N 2 1 331.464 1.696 20 0 EDADMP Cc1cc(NC[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc(C)[nH+]1 ZINC001060991631 708112641 /nfs/dbraw/zinc/11/26/41/708112641.db2.gz JANRHELVDTZNBK-XJKSGUPXSA-N 2 1 331.464 1.696 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033673412 708466077 /nfs/dbraw/zinc/46/60/77/708466077.db2.gz ZEHOCZAUCYCANZ-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033673412 708466079 /nfs/dbraw/zinc/46/60/79/708466079.db2.gz ZEHOCZAUCYCANZ-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001033673412 708466080 /nfs/dbraw/zinc/46/60/80/708466080.db2.gz ZEHOCZAUCYCANZ-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001033673412 708466081 /nfs/dbraw/zinc/46/60/81/708466081.db2.gz ZEHOCZAUCYCANZ-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001033679361 708489292 /nfs/dbraw/zinc/48/92/92/708489292.db2.gz KZKHQEYIPNMKKH-ROUUACIJSA-N 2 1 335.492 1.740 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001033679361 708489293 /nfs/dbraw/zinc/48/92/93/708489293.db2.gz KZKHQEYIPNMKKH-ROUUACIJSA-N 2 1 335.492 1.740 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001033679361 708489296 /nfs/dbraw/zinc/48/92/96/708489296.db2.gz KZKHQEYIPNMKKH-ROUUACIJSA-N 2 1 335.492 1.740 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001033679361 708489299 /nfs/dbraw/zinc/48/92/99/708489299.db2.gz KZKHQEYIPNMKKH-ROUUACIJSA-N 2 1 335.492 1.740 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033686712 708501765 /nfs/dbraw/zinc/50/17/65/708501765.db2.gz SDCHSJKFYHDTIT-RDJZCZTQSA-N 2 1 333.476 1.929 20 0 EDADMP Cc1nnc([C@H](C)[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC001002051728 708583588 /nfs/dbraw/zinc/58/35/88/708583588.db2.gz BKTQYZFIDQVUEU-ZDUSSCGKSA-N 2 1 347.463 1.363 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001002122334 708636737 /nfs/dbraw/zinc/63/67/37/708636737.db2.gz CJGDFRNKKLVYIC-GOSISDBHSA-N 2 1 345.487 1.845 20 0 EDADMP CC[C@@H](F)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002138221 708675258 /nfs/dbraw/zinc/67/52/58/708675258.db2.gz JAEUAHZXQPJCFY-HZPDHXFCSA-N 2 1 329.460 1.283 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001005424565 708942849 /nfs/dbraw/zinc/94/28/49/708942849.db2.gz LDIKOLFTUDAVDD-JLSIVADVSA-N 2 1 341.883 1.525 20 0 EDADMP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033884012 708985951 /nfs/dbraw/zinc/98/59/51/708985951.db2.gz WGNWHOFQEBYFSH-DOTOQJQBSA-N 2 1 342.443 1.907 20 0 EDADMP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033895701 709013318 /nfs/dbraw/zinc/01/33/18/709013318.db2.gz BMXWWNALIZMFFE-INIZCTEOSA-N 2 1 343.431 1.186 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCCc2nc(C)no2)C1 ZINC001034042529 709292542 /nfs/dbraw/zinc/29/25/42/709292542.db2.gz PNXZLJWCVLDLEG-JKSUJKDBSA-N 2 1 349.479 1.185 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCCc2nc(C)no2)C1 ZINC001034042529 709292543 /nfs/dbraw/zinc/29/25/43/709292543.db2.gz PNXZLJWCVLDLEG-JKSUJKDBSA-N 2 1 349.479 1.185 20 0 EDADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001034044877 709297053 /nfs/dbraw/zinc/29/70/53/709297053.db2.gz FLPIYEWKIHBYRR-SFHVURJKSA-N 2 1 333.476 1.931 20 0 EDADMP Cc1cc(NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)nc(N)[nH+]1 ZINC000702213666 709394455 /nfs/dbraw/zinc/39/44/55/709394455.db2.gz FFUWXJARPCYWHO-MRXNPFEDSA-N 2 1 326.448 1.595 20 0 EDADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2CC[NH+](CCF)CC2)CC1 ZINC001002844083 709455866 /nfs/dbraw/zinc/45/58/66/709455866.db2.gz CHATYCWPOGMTSG-SJORKVTESA-N 2 1 341.471 1.283 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)sn1 ZINC001002861459 709464806 /nfs/dbraw/zinc/46/48/06/709464806.db2.gz ZVKLLTRXCHLQOW-CZUORRHYSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)sn1 ZINC001002861459 709464807 /nfs/dbraw/zinc/46/48/07/709464807.db2.gz ZVKLLTRXCHLQOW-CZUORRHYSA-N 2 1 336.505 1.872 20 0 EDADMP CC1(C)CC(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC001002874467 709481048 /nfs/dbraw/zinc/48/10/48/709481048.db2.gz IKBOKQYADRSSNU-ZWKOTPCHSA-N 2 1 349.519 1.866 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CCc2cnn(C)c2)C1 ZINC001034309394 709751035 /nfs/dbraw/zinc/75/10/35/709751035.db2.gz LLKZTAMAAPWGOZ-KRWDZBQOSA-N 2 1 344.463 1.138 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CCc2cnn(C)c2)C1 ZINC001034309394 709751066 /nfs/dbraw/zinc/75/10/66/709751066.db2.gz LLKZTAMAAPWGOZ-KRWDZBQOSA-N 2 1 344.463 1.138 20 0 EDADMP CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000702811764 709857415 /nfs/dbraw/zinc/85/74/15/709857415.db2.gz HGPZJOJDXGUSIA-WCVJEAGWSA-N 2 1 339.480 1.431 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cnn(C)c3)C2)CC[N@H+]1C ZINC001034363320 709881184 /nfs/dbraw/zinc/88/11/84/709881184.db2.gz NLKJZSRZOUVFKV-SZMVWBNQSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cnn(C)c3)C2)CC[NH+]1C ZINC001034363320 709881190 /nfs/dbraw/zinc/88/11/90/709881190.db2.gz NLKJZSRZOUVFKV-SZMVWBNQSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cnn(C)c3)C2)CC[NH+]1C ZINC001034363320 709881193 /nfs/dbraw/zinc/88/11/93/709881193.db2.gz NLKJZSRZOUVFKV-SZMVWBNQSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1noc(CCC[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001003158263 710065879 /nfs/dbraw/zinc/06/58/79/710065879.db2.gz FSTJFFUSWGWXHE-INIZCTEOSA-N 2 1 349.479 1.376 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](Cc3cncs3)C2)C1 ZINC001034490329 710108296 /nfs/dbraw/zinc/10/82/96/710108296.db2.gz KOSPMBJEXPQATI-CABCVRRESA-N 2 1 336.505 1.956 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](Cc3cncs3)C2)C1 ZINC001034490329 710108298 /nfs/dbraw/zinc/10/82/98/710108298.db2.gz KOSPMBJEXPQATI-CABCVRRESA-N 2 1 336.505 1.956 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@H+](Cc3cncs3)C2)C1 ZINC001034490329 710108300 /nfs/dbraw/zinc/10/83/00/710108300.db2.gz KOSPMBJEXPQATI-CABCVRRESA-N 2 1 336.505 1.956 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@@H+](Cc3cncs3)C2)C1 ZINC001034490329 710108301 /nfs/dbraw/zinc/10/83/01/710108301.db2.gz KOSPMBJEXPQATI-CABCVRRESA-N 2 1 336.505 1.956 20 0 EDADMP Cc1cccnc1C[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034486378 710132867 /nfs/dbraw/zinc/13/28/67/710132867.db2.gz JAMOPRGUKSVTKV-QGZVFWFLSA-N 2 1 342.487 1.957 20 0 EDADMP CCc1nocc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034525452 710175575 /nfs/dbraw/zinc/17/55/75/710175575.db2.gz NAAZUUMOAJEMGH-HOCLYGCPSA-N 2 1 334.464 1.659 20 0 EDADMP CCc1nocc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034525452 710175579 /nfs/dbraw/zinc/17/55/79/710175579.db2.gz NAAZUUMOAJEMGH-HOCLYGCPSA-N 2 1 334.464 1.659 20 0 EDADMP CCc1nocc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034525452 710175581 /nfs/dbraw/zinc/17/55/81/710175581.db2.gz NAAZUUMOAJEMGH-HOCLYGCPSA-N 2 1 334.464 1.659 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001034525841 710176724 /nfs/dbraw/zinc/17/67/24/710176724.db2.gz QHIISEMGUWUPAX-HZPDHXFCSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034525841 710176725 /nfs/dbraw/zinc/17/67/25/710176725.db2.gz QHIISEMGUWUPAX-HZPDHXFCSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034525841 710176726 /nfs/dbraw/zinc/17/67/26/710176726.db2.gz QHIISEMGUWUPAX-HZPDHXFCSA-N 2 1 334.464 1.714 20 0 EDADMP Cn1nccc1CC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527712 710181285 /nfs/dbraw/zinc/18/12/85/710181285.db2.gz GFRYRQDTJBHVRL-MRXNPFEDSA-N 2 1 333.480 1.029 20 0 EDADMP CCN1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001034534521 710205844 /nfs/dbraw/zinc/20/58/44/710205844.db2.gz LYYYRJKDFKXNFJ-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC001034534521 710205847 /nfs/dbraw/zinc/20/58/47/710205847.db2.gz LYYYRJKDFKXNFJ-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC001034534521 710205853 /nfs/dbraw/zinc/20/58/53/710205853.db2.gz LYYYRJKDFKXNFJ-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001034534521 710205861 /nfs/dbraw/zinc/20/58/61/710205861.db2.gz LYYYRJKDFKXNFJ-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538902 710212184 /nfs/dbraw/zinc/21/21/84/710212184.db2.gz VUEQNTVIMAPROF-SFHVURJKSA-N 2 1 333.476 1.979 20 0 EDADMP C[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538938 710212219 /nfs/dbraw/zinc/21/22/19/710212219.db2.gz WXCHLYYXYOJPHW-YOEHRIQHSA-N 2 1 346.475 1.206 20 0 EDADMP C[C@@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538938 710212224 /nfs/dbraw/zinc/21/22/24/710212224.db2.gz WXCHLYYXYOJPHW-YOEHRIQHSA-N 2 1 346.475 1.206 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC001034616899 710291950 /nfs/dbraw/zinc/29/19/50/710291950.db2.gz FMYFPDLIBCEYBT-BRWVUGGUSA-N 2 1 337.508 1.770 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC001034616899 710291952 /nfs/dbraw/zinc/29/19/52/710291952.db2.gz FMYFPDLIBCEYBT-BRWVUGGUSA-N 2 1 337.508 1.770 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC001034643090 710318926 /nfs/dbraw/zinc/31/89/26/710318926.db2.gz OUGPYMPYNYNXEW-JYJNAYRXSA-N 2 1 349.479 1.768 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC001034643090 710318929 /nfs/dbraw/zinc/31/89/29/710318929.db2.gz OUGPYMPYNYNXEW-JYJNAYRXSA-N 2 1 349.479 1.768 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC001034648035 710324532 /nfs/dbraw/zinc/32/45/32/710324532.db2.gz VLRYWPCIDKBIRL-KCYZZUKISA-N 2 1 334.464 1.840 20 0 EDADMP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001034663051 710332457 /nfs/dbraw/zinc/33/24/57/710332457.db2.gz OZDKDEJZFLTIGF-OVWQWFNUSA-N 2 1 337.508 1.791 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)o1 ZINC001003492909 710375598 /nfs/dbraw/zinc/37/55/98/710375598.db2.gz QFDXCWLGPKFJCP-ZFWWWQNUSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC001003492909 710375600 /nfs/dbraw/zinc/37/56/00/710375600.db2.gz QFDXCWLGPKFJCP-ZFWWWQNUSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001003624055 710453721 /nfs/dbraw/zinc/45/37/21/710453721.db2.gz JZPHRMZPKFYDSY-MRXNPFEDSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001003626608 710455896 /nfs/dbraw/zinc/45/58/96/710455896.db2.gz SIGIOEXIEDKDCL-CYBMUJFWSA-N 2 1 334.464 1.714 20 0 EDADMP C[C@H](O)C[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001003628502 710458598 /nfs/dbraw/zinc/45/85/98/710458598.db2.gz RBDGSIAXVPEWAS-SUMWQHHRSA-N 2 1 329.460 1.160 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001003628677 710458653 /nfs/dbraw/zinc/45/86/53/710458653.db2.gz SRXWFPUAFQSQFW-KSSFIOAISA-N 2 1 343.487 1.814 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC001003635371 710462828 /nfs/dbraw/zinc/46/28/28/710462828.db2.gz PDIUAGMJFOHHJZ-WBMJQRKESA-N 2 1 334.464 1.570 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CCCO[C@H]3CCCCO3)cn2)CC1 ZINC000922234304 710484614 /nfs/dbraw/zinc/48/46/14/710484614.db2.gz YBQZEBQLPPUYBM-KRWDZBQOSA-N 2 1 349.479 1.251 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003737129 710518652 /nfs/dbraw/zinc/51/86/52/710518652.db2.gz GMYNDMHRWCROBQ-RDJZCZTQSA-N 2 1 325.497 1.865 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034673560 710611316 /nfs/dbraw/zinc/61/13/16/710611316.db2.gz CTNWBXBQIGLXHK-YDHLFZDLSA-N 2 1 337.493 1.539 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001034673514 710611366 /nfs/dbraw/zinc/61/13/66/710611366.db2.gz CABIUIHPYFGYTC-BZUAXINKSA-N 2 1 334.464 1.984 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034673667 710611873 /nfs/dbraw/zinc/61/18/73/710611873.db2.gz FIWPZDLWTKRZRQ-KZNAEPCWSA-N 2 1 347.507 1.730 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCn3cccn3)CC2)CC[N@H+]1C ZINC001034714951 710850381 /nfs/dbraw/zinc/85/03/81/710850381.db2.gz HYVWDJZGEDSSTQ-XSLAGTTESA-N 2 1 347.507 1.630 20 0 EDADMP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)[nH]1 ZINC001034734085 710915667 /nfs/dbraw/zinc/91/56/67/710915667.db2.gz KDWZGVSAIGKFMW-OCVGTWLNSA-N 2 1 348.495 1.533 20 0 EDADMP Cc1ccncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034791247 711104154 /nfs/dbraw/zinc/10/41/54/711104154.db2.gz HYDXXXHNEASLSQ-SZMVWBNQSA-N 2 1 330.476 1.859 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)n2)CC1 ZINC001034795620 711114218 /nfs/dbraw/zinc/11/42/18/711114218.db2.gz MFAWIUAVHQGQBG-ZOBUZTSGSA-N 2 1 348.495 1.207 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC001034791797 711117067 /nfs/dbraw/zinc/11/70/67/711117067.db2.gz RUSWSZJTIWKZOL-BZUAXINKSA-N 2 1 348.495 1.328 20 0 EDADMP CCc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034792886 711121253 /nfs/dbraw/zinc/12/12/53/711121253.db2.gz NXLGXQCWZFWWGM-AJNGGQMLSA-N 2 1 349.479 1.662 20 0 EDADMP CCc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034792886 711121258 /nfs/dbraw/zinc/12/12/58/711121258.db2.gz NXLGXQCWZFWWGM-AJNGGQMLSA-N 2 1 349.479 1.662 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)n1 ZINC001034793563 711124070 /nfs/dbraw/zinc/12/40/70/711124070.db2.gz IEZRAEFKOYWPGV-HDJSIYSDSA-N 2 1 335.452 1.245 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC001034793923 711125233 /nfs/dbraw/zinc/12/52/33/711125233.db2.gz VLHNBNONTXDMCB-QAQDUYKDSA-N 2 1 327.432 1.804 20 0 EDADMP C[C@H]1CC[C@@H](C[NH+]2CCC(NC(=O)c3c[nH+]ccc3N(C)C)CC2)O1 ZINC001003983862 711183748 /nfs/dbraw/zinc/18/37/48/711183748.db2.gz QTPVJLLWHWGHBX-HOCLYGCPSA-N 2 1 346.475 1.909 20 0 EDADMP CCCn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001034957074 711427827 /nfs/dbraw/zinc/42/78/27/711427827.db2.gz JJCVHMISWCHNCA-OAHLLOKOSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)nc1 ZINC001034957522 711428844 /nfs/dbraw/zinc/42/88/44/711428844.db2.gz YWYVNYKYABGZQI-OAHLLOKOSA-N 2 1 331.464 1.350 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3c(cn1)OCCO3)C2 ZINC000922391073 711455169 /nfs/dbraw/zinc/45/51/69/711455169.db2.gz RLNGAYNGHBWZSB-RGCFKVTRSA-N 2 1 347.459 1.422 20 0 EDADMP CC[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]cn3)CC[C@@H]2C1)OC ZINC000946617302 711869362 /nfs/dbraw/zinc/86/93/62/711869362.db2.gz AZUJVWVGKGYBTL-SOLBZPMBSA-N 2 1 348.491 1.938 20 0 EDADMP CC[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)CC[C@@H]2C1)OC ZINC000946617302 711869365 /nfs/dbraw/zinc/86/93/65/711869365.db2.gz AZUJVWVGKGYBTL-SOLBZPMBSA-N 2 1 348.491 1.938 20 0 EDADMP CC[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)CC[C@@H]2C1)OC ZINC000946617302 711869367 /nfs/dbraw/zinc/86/93/67/711869367.db2.gz AZUJVWVGKGYBTL-SOLBZPMBSA-N 2 1 348.491 1.938 20 0 EDADMP CO[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946624009 711926957 /nfs/dbraw/zinc/92/69/57/711926957.db2.gz YLFGGOQKKSQNRC-ZACQAIPSSA-N 2 1 337.508 1.676 20 0 EDADMP CO[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946624009 711926958 /nfs/dbraw/zinc/92/69/58/711926958.db2.gz YLFGGOQKKSQNRC-ZACQAIPSSA-N 2 1 337.508 1.676 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[NH+]12)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946642643 712128625 /nfs/dbraw/zinc/12/86/25/712128625.db2.gz OJKRWDFDTYTDOX-ZSYWTGECSA-N 2 1 349.519 1.556 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946642643 712128626 /nfs/dbraw/zinc/12/86/26/712128626.db2.gz OJKRWDFDTYTDOX-ZSYWTGECSA-N 2 1 349.519 1.556 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946642643 712128630 /nfs/dbraw/zinc/12/86/30/712128630.db2.gz OJKRWDFDTYTDOX-ZSYWTGECSA-N 2 1 349.519 1.556 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4ccnc4C3)CC[C@@H]2C1 ZINC000946645304 712134563 /nfs/dbraw/zinc/13/45/63/712134563.db2.gz QUGZGZAQFHHACU-YESZJQIVSA-N 2 1 346.475 1.262 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC(OCC[NH+](C)C)CC1)CC2 ZINC000557614300 306231051 /nfs/dbraw/zinc/23/10/51/306231051.db2.gz KNEPUWFZHBIWAL-HNNXBMFYSA-N 2 1 334.464 1.323 20 0 EDADMP O=C(C[N@H+]1CC[C@H](CO)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000174709627 231285518 /nfs/dbraw/zinc/28/55/18/231285518.db2.gz HCTOHFNYACGETH-INIZCTEOSA-N 2 1 349.500 1.488 20 0 EDADMP O=C(C[N@@H+]1CC[C@H](CO)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000174709627 231285520 /nfs/dbraw/zinc/28/55/20/231285520.db2.gz HCTOHFNYACGETH-INIZCTEOSA-N 2 1 349.500 1.488 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH+]1CCOCC1 ZINC000129943628 282237518 /nfs/dbraw/zinc/23/75/18/282237518.db2.gz SPXOQHKGFLKRGW-SJORKVTESA-N 2 1 327.513 1.826 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NCC2(C)CC[NH2+]CC2)c2ccccc2)CC1 ZINC000183311656 529776007 /nfs/dbraw/zinc/77/60/07/529776007.db2.gz OMFULPANKAPLFE-GOSISDBHSA-N 2 1 344.503 1.481 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc2)CC1 ZINC000165805876 530068413 /nfs/dbraw/zinc/06/84/13/530068413.db2.gz ZXYACEWHKUCLQX-QGZVFWFLSA-N 2 1 346.475 1.315 20 0 EDADMP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCCC1)N1CC[NH+](C)CC1 ZINC000372572969 295728846 /nfs/dbraw/zinc/72/88/46/295728846.db2.gz RMBNDOJEAVUWEE-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)CC1 ZINC000560498169 306271880 /nfs/dbraw/zinc/27/18/80/306271880.db2.gz OEXNTZZGFZXTMJ-FUHWJXTLSA-N 2 1 339.524 1.991 20 0 EDADMP COC1(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC[NH2+]CC1 ZINC000178877362 232563896 /nfs/dbraw/zinc/56/38/96/232563896.db2.gz QWMVFJCGSIBSGK-UHFFFAOYSA-N 2 1 346.475 1.536 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433343814 539558407 /nfs/dbraw/zinc/55/84/07/539558407.db2.gz PJCUJUHNYVVQFM-HZPDHXFCSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000332818834 539605265 /nfs/dbraw/zinc/60/52/65/539605265.db2.gz ADHXWDDCPIXJEE-HOTGVXAUSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CCN2C)C1 ZINC000332818834 539605274 /nfs/dbraw/zinc/60/52/74/539605274.db2.gz ADHXWDDCPIXJEE-HOTGVXAUSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CCN2C)C1 ZINC000332818834 539605277 /nfs/dbraw/zinc/60/52/77/539605277.db2.gz ADHXWDDCPIXJEE-HOTGVXAUSA-N 2 1 339.528 1.042 20 0 EDADMP CC1(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000561188385 306283978 /nfs/dbraw/zinc/28/39/78/306283978.db2.gz DNSWAEIKDFRIHT-HZPDHXFCSA-N 2 1 338.496 1.319 20 0 EDADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000151082990 539739378 /nfs/dbraw/zinc/73/93/78/539739378.db2.gz FFZZTYSBKOLQMX-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000151082990 539739381 /nfs/dbraw/zinc/73/93/81/539739381.db2.gz FFZZTYSBKOLQMX-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000151082990 539739385 /nfs/dbraw/zinc/73/93/85/539739385.db2.gz FFZZTYSBKOLQMX-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000151082990 539739388 /nfs/dbraw/zinc/73/93/88/539739388.db2.gz FFZZTYSBKOLQMX-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000342972922 539767909 /nfs/dbraw/zinc/76/79/09/539767909.db2.gz ADAKSSNILLLRIA-CABCVRRESA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000343015021 539776388 /nfs/dbraw/zinc/77/63/88/539776388.db2.gz PHGYXVKYTHGLFQ-JYJNAYRXSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000353356156 539932934 /nfs/dbraw/zinc/93/29/34/539932934.db2.gz RJEZUPRTHSJYHO-ZDUSSCGKSA-N 2 1 348.413 1.970 20 0 EDADMP Cc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)cn1 ZINC000354935377 539950734 /nfs/dbraw/zinc/95/07/34/539950734.db2.gz QAJKIHIQPRUSEC-HOTGVXAUSA-N 2 1 344.438 1.953 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000562807381 306309757 /nfs/dbraw/zinc/30/97/57/306309757.db2.gz LFUTXQCZKNJIRO-BBWFWOEESA-N 2 1 338.496 1.271 20 0 EDADMP [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)sc2C1 ZINC000562809555 306310093 /nfs/dbraw/zinc/31/00/93/306310093.db2.gz ANQCFGHVGVDYFP-JSGCOSHPSA-N 2 1 328.441 1.612 20 0 EDADMP [NH3+][C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000562807342 306309812 /nfs/dbraw/zinc/30/98/12/306309812.db2.gz JDDQFOYJFMBXIH-KZNAEPCWSA-N 2 1 346.475 1.629 20 0 EDADMP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000562836778 306310973 /nfs/dbraw/zinc/31/09/73/306310973.db2.gz UAVYVYOEXWABGU-UHFFFAOYSA-N 2 1 345.896 1.761 20 0 EDADMP CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443070787 305234569 /nfs/dbraw/zinc/23/45/69/305234569.db2.gz LOZSASKQYRODNV-CQSZACIVSA-N 2 1 326.462 1.530 20 0 EDADMP C[N@@H+](CCCC[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000563000941 306315430 /nfs/dbraw/zinc/31/54/30/306315430.db2.gz NOOMVKOCXFEPBF-HNNXBMFYSA-N 2 1 345.443 1.108 20 0 EDADMP CCC[N@@H+](C)CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412779254 304036901 /nfs/dbraw/zinc/03/69/01/304036901.db2.gz MEVJQWPHVCZJAY-UHFFFAOYSA-N 2 1 333.476 1.472 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000563205667 306323401 /nfs/dbraw/zinc/32/34/01/306323401.db2.gz AOINUAJZZHMTMP-IEBWSBKVSA-N 2 1 337.508 1.726 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000495155154 540052966 /nfs/dbraw/zinc/05/29/66/540052966.db2.gz YTKZUNZMMAYXMO-HZPDHXFCSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C1 ZINC000072811597 138210388 /nfs/dbraw/zinc/21/03/88/138210388.db2.gz KGMHVASSTVEGIQ-SFHVURJKSA-N 2 1 346.475 1.406 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C1 ZINC000072811597 138210389 /nfs/dbraw/zinc/21/03/89/138210389.db2.gz KGMHVASSTVEGIQ-SFHVURJKSA-N 2 1 346.475 1.406 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000563539402 306338134 /nfs/dbraw/zinc/33/81/34/306338134.db2.gz QADKSVGXXDSBRN-QUCCMNQESA-N 3 1 348.510 1.968 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CCN(C[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000563539402 306338135 /nfs/dbraw/zinc/33/81/35/306338135.db2.gz QADKSVGXXDSBRN-QUCCMNQESA-N 2 1 348.510 1.968 20 0 EDADMP CC1CCC(N(C)C(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000563670266 306344576 /nfs/dbraw/zinc/34/45/76/306344576.db2.gz ORWPVYGKHFLYRO-BDVYOWHSSA-N 2 1 348.495 1.411 20 0 EDADMP CC1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000563670266 306344577 /nfs/dbraw/zinc/34/45/77/306344577.db2.gz ORWPVYGKHFLYRO-BDVYOWHSSA-N 2 1 348.495 1.411 20 0 EDADMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C[NH+]1CCCC1 ZINC000187630013 236264966 /nfs/dbraw/zinc/26/49/66/236264966.db2.gz ZTECGWAUJFJZMN-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c2C1 ZINC000564212142 306357261 /nfs/dbraw/zinc/35/72/61/306357261.db2.gz XCCYOKYPNWTKDH-STQMWFEESA-N 2 1 332.448 1.593 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c2C1 ZINC000564212142 306357262 /nfs/dbraw/zinc/35/72/62/306357262.db2.gz XCCYOKYPNWTKDH-STQMWFEESA-N 2 1 332.448 1.593 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000564318540 306358189 /nfs/dbraw/zinc/35/81/89/306358189.db2.gz MRJBLPMPBXHTMO-ROUUACIJSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000564318540 306358190 /nfs/dbraw/zinc/35/81/90/306358190.db2.gz MRJBLPMPBXHTMO-ROUUACIJSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000564318540 306358191 /nfs/dbraw/zinc/35/81/91/306358191.db2.gz MRJBLPMPBXHTMO-ROUUACIJSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@@H](c1nnnn1C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000189807405 237270826 /nfs/dbraw/zinc/27/08/26/237270826.db2.gz HZHDPMQCZFJGHD-AWEZNQCLSA-N 2 1 329.452 1.905 20 0 EDADMP C[C@@H](c1nnnn1C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000189807405 237270840 /nfs/dbraw/zinc/27/08/40/237270840.db2.gz HZHDPMQCZFJGHD-AWEZNQCLSA-N 2 1 329.452 1.905 20 0 EDADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)Cn1cccn1 ZINC000564847349 306367201 /nfs/dbraw/zinc/36/72/01/306367201.db2.gz BDISLYKCSMMGBZ-JKSUJKDBSA-N 2 1 334.489 1.807 20 0 EDADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Cn1cccn1 ZINC000564847349 306367202 /nfs/dbraw/zinc/36/72/02/306367202.db2.gz BDISLYKCSMMGBZ-JKSUJKDBSA-N 2 1 334.489 1.807 20 0 EDADMP Cn1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c(-c2ccncc2)n1 ZINC000565219752 306379135 /nfs/dbraw/zinc/37/91/35/306379135.db2.gz ZKIUCADCOOZLNO-UHFFFAOYSA-N 2 1 329.448 1.419 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)C[NH2+]CC2CC2)c2cccs2)CC1 ZINC000565418410 306383448 /nfs/dbraw/zinc/38/34/48/306383448.db2.gz LKAUAVNRHCQFFT-OAHLLOKOSA-N 2 1 336.505 1.152 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000414175276 304104340 /nfs/dbraw/zinc/10/43/40/304104340.db2.gz HHACVRSDTJNBBP-NXHRZFHOSA-N 2 1 329.448 1.139 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000565751866 306390751 /nfs/dbraw/zinc/39/07/51/306390751.db2.gz DQUSCMIKUBPPGP-PXNSSMCTSA-N 2 1 347.503 1.860 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000565751866 306390752 /nfs/dbraw/zinc/39/07/52/306390752.db2.gz DQUSCMIKUBPPGP-PXNSSMCTSA-N 2 1 347.503 1.860 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000565751866 306390753 /nfs/dbraw/zinc/39/07/53/306390753.db2.gz DQUSCMIKUBPPGP-PXNSSMCTSA-N 2 1 347.503 1.860 20 0 EDADMP C[C@H]1CC[NH2+][C@@H](C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000566296999 306407911 /nfs/dbraw/zinc/40/79/11/306407911.db2.gz BOWJDDWCVCKUSQ-PKOBYXMFSA-N 2 1 344.503 1.655 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000414699104 304129466 /nfs/dbraw/zinc/12/94/66/304129466.db2.gz RRGDXXLPJPCXFM-GDBMZVCRSA-N 2 1 345.443 1.750 20 0 EDADMP CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414703715 304130308 /nfs/dbraw/zinc/13/03/08/304130308.db2.gz MROMHLKLKKUAGS-RBUKOAKNSA-N 2 1 347.503 1.703 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)C1 ZINC000414705849 304130384 /nfs/dbraw/zinc/13/03/84/304130384.db2.gz XOJWOEXMZVEJAF-KRWDZBQOSA-N 2 1 341.459 1.609 20 0 EDADMP CCOc1ccnc(N2CCC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)n1 ZINC000414709055 304130899 /nfs/dbraw/zinc/13/08/99/304130899.db2.gz OMNPJISPWFRHDA-HZPDHXFCSA-N 2 1 333.480 1.776 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000414717647 304132129 /nfs/dbraw/zinc/13/21/29/304132129.db2.gz PYIRPMFYXQMKJB-UHFFFAOYSA-N 2 1 332.448 1.145 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C[NH2+]CC)C1 ZINC000414731166 304133974 /nfs/dbraw/zinc/13/39/74/304133974.db2.gz AFCMXTCUOKUGJK-OAHLLOKOSA-N 2 1 346.475 1.583 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccc(NC(N)=O)cc1 ZINC000261857183 299379299 /nfs/dbraw/zinc/37/92/99/299379299.db2.gz BTTOOBMONVEUGU-KKBVYLPWSA-N 2 1 332.448 1.985 20 0 EDADMP COCCOc1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414795992 304141782 /nfs/dbraw/zinc/14/17/82/304141782.db2.gz WXWCPWGEJUAAMO-KRWDZBQOSA-N 2 1 334.460 1.899 20 0 EDADMP C[C@@H](CC(=O)NC1CCN(c2[nH+]ccn2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000566618776 306422097 /nfs/dbraw/zinc/42/20/97/306422097.db2.gz FNOWVPXBXFWTLH-LSDHHAIUSA-N 2 1 333.480 1.531 20 0 EDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496291734 296131717 /nfs/dbraw/zinc/13/17/17/296131717.db2.gz GYMQFFBPBFREPX-ILXRZTDVSA-N 2 1 329.485 1.677 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000567106295 306438101 /nfs/dbraw/zinc/43/81/01/306438101.db2.gz KGOWWGGOIPWMAY-DZKIICNBSA-N 2 1 338.521 1.526 20 0 EDADMP O=C1N[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415143157 304163948 /nfs/dbraw/zinc/16/39/48/304163948.db2.gz SATGFRXCBLJIEJ-IAGOWNOFSA-N 2 1 332.423 1.546 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415143157 304163949 /nfs/dbraw/zinc/16/39/49/304163949.db2.gz SATGFRXCBLJIEJ-IAGOWNOFSA-N 2 1 332.423 1.546 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C[C@H]1C ZINC000415154757 304166635 /nfs/dbraw/zinc/16/66/35/304166635.db2.gz VOXQSXPGYRBPTK-KGLIPLIRSA-N 2 1 332.448 1.286 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C[C@H]1C ZINC000415154757 304166637 /nfs/dbraw/zinc/16/66/37/304166637.db2.gz VOXQSXPGYRBPTK-KGLIPLIRSA-N 2 1 332.448 1.286 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)C(C)(C)[NH3+])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000237127331 139041403 /nfs/dbraw/zinc/04/14/03/139041403.db2.gz NVAASJUELUMCBX-HNNXBMFYSA-N 2 1 332.448 1.529 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000237137417 139041864 /nfs/dbraw/zinc/04/18/64/139041864.db2.gz GDIKHLURMSEYMO-RBUKOAKNSA-N 2 1 344.503 1.390 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000418679994 284343842 /nfs/dbraw/zinc/34/38/42/284343842.db2.gz FMHPPJLCMAKWIH-RYQLBKOJSA-N 2 1 330.476 1.725 20 0 EDADMP C[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000237475467 139052083 /nfs/dbraw/zinc/05/20/83/139052083.db2.gz WJFSKGYSPIGXHO-XLIONFOSSA-N 2 1 344.503 1.846 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000111448403 220156761 /nfs/dbraw/zinc/15/67/61/220156761.db2.gz AWEHPIYZWABHOE-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000111448403 220156763 /nfs/dbraw/zinc/15/67/63/220156763.db2.gz AWEHPIYZWABHOE-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP C[C@]1(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CCC[NH2+]C1 ZINC000237606896 139055439 /nfs/dbraw/zinc/05/54/39/139055439.db2.gz LWUUKXRUPBPZAW-IBGZPJMESA-N 2 1 331.460 1.890 20 0 EDADMP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000237932404 139064165 /nfs/dbraw/zinc/06/41/65/139064165.db2.gz WGODGXQDSAENAB-SFHVURJKSA-N 2 1 327.472 1.763 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000111790722 220189645 /nfs/dbraw/zinc/18/96/45/220189645.db2.gz BXSZTHIQLLLPTA-QGZVFWFLSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000111790722 220189647 /nfs/dbraw/zinc/18/96/47/220189647.db2.gz BXSZTHIQLLLPTA-QGZVFWFLSA-N 2 1 348.491 1.528 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000111875464 220216587 /nfs/dbraw/zinc/21/65/87/220216587.db2.gz MAKGRWRHYNQYBE-QGZVFWFLSA-N 2 1 348.491 1.481 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000111875464 220216590 /nfs/dbraw/zinc/21/65/90/220216590.db2.gz MAKGRWRHYNQYBE-QGZVFWFLSA-N 2 1 348.491 1.481 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000415245521 304178063 /nfs/dbraw/zinc/17/80/63/304178063.db2.gz PECXEGWMBQSAAL-LJQANCHMSA-N 2 1 344.459 1.289 20 0 EDADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000245464196 139075971 /nfs/dbraw/zinc/07/59/71/139075971.db2.gz PFNYQZSRDIMTBQ-CABCVRRESA-N 2 1 339.505 1.929 20 0 EDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000245464196 139075972 /nfs/dbraw/zinc/07/59/72/139075972.db2.gz PFNYQZSRDIMTBQ-CABCVRRESA-N 2 1 339.505 1.929 20 0 EDADMP C[C@@H]1CCN([C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@@H]1n1ccnc1 ZINC000245627538 139081405 /nfs/dbraw/zinc/08/14/05/139081405.db2.gz PEWNGLQARYUMEY-PMPSAXMXSA-N 2 1 342.447 1.695 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000245794779 139086320 /nfs/dbraw/zinc/08/63/20/139086320.db2.gz YCNKOSVZDHWSEC-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000339944708 284669800 /nfs/dbraw/zinc/66/98/00/284669800.db2.gz KQFNHOYPDCXJEI-HZPDHXFCSA-N 2 1 328.501 1.373 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000247337343 139145466 /nfs/dbraw/zinc/14/54/66/139145466.db2.gz YXQJYDDAABELKG-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000247337343 139145467 /nfs/dbraw/zinc/14/54/67/139145467.db2.gz YXQJYDDAABELKG-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000247337343 139145468 /nfs/dbraw/zinc/14/54/68/139145468.db2.gz YXQJYDDAABELKG-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP NC(=O)NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248164813 139159037 /nfs/dbraw/zinc/15/90/37/139159037.db2.gz STHOMUDGVUZUIL-DLBZAZTESA-N 2 1 344.459 1.558 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@](C)(O)C1 ZINC000248372257 139160836 /nfs/dbraw/zinc/16/08/36/139160836.db2.gz ZSGSRSRQWJKIAG-JXFKEZNVSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1)[C@H]([NH3+])c1ccccc1 ZINC000248473107 139165676 /nfs/dbraw/zinc/16/56/76/139165676.db2.gz WPNSGHVRVZHMHX-JQFCIGGWSA-N 2 1 327.432 1.229 20 0 EDADMP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000248741515 139173966 /nfs/dbraw/zinc/17/39/66/139173966.db2.gz DOZCPZGKFKSZGM-MVJTYMMSSA-N 2 1 333.476 1.639 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@H+](C[C@H]3CC4(CCC4)C(=O)O3)C2)CC1 ZINC000248882516 139179105 /nfs/dbraw/zinc/17/91/05/139179105.db2.gz PVKLVXBLXAPWQV-DLBZAZTESA-N 2 1 335.492 1.574 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](C[C@H]3CC4(CCC4)C(=O)O3)C2)CC1 ZINC000248882516 139179106 /nfs/dbraw/zinc/17/91/06/139179106.db2.gz PVKLVXBLXAPWQV-DLBZAZTESA-N 2 1 335.492 1.574 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1C(C)(C)O)c1ccccc1 ZINC000249278787 139190257 /nfs/dbraw/zinc/19/02/57/139190257.db2.gz FJUDLEZTDUJPAG-SJORKVTESA-N 2 1 333.476 1.641 20 0 EDADMP C[C@@H]1CCC[C@H](CO)[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249363853 139191765 /nfs/dbraw/zinc/19/17/65/139191765.db2.gz UBISBUVKBVUFTN-KBAYOESNSA-N 2 1 333.476 1.641 20 0 EDADMP C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261561746 139209113 /nfs/dbraw/zinc/20/91/13/139209113.db2.gz VTDFAEBOGCCZIO-SZMVWBNQSA-N 2 1 331.460 1.392 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000261609920 139210726 /nfs/dbraw/zinc/21/07/26/139210726.db2.gz DMXCIUULQGLVLD-HNNXBMFYSA-N 2 1 328.416 1.629 20 0 EDADMP COc1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261645239 139214097 /nfs/dbraw/zinc/21/40/97/139214097.db2.gz IZOIHURTUKIRPM-AEFFLSMTSA-N 2 1 331.460 1.775 20 0 EDADMP C[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@H+]1Cc1ccccc1 ZINC000261658214 139215144 /nfs/dbraw/zinc/21/51/44/139215144.db2.gz FNLVHZUMQNFRLG-JQHSSLGASA-N 2 1 331.460 1.616 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000261676579 139216629 /nfs/dbraw/zinc/21/66/29/139216629.db2.gz HPZUKUOAHNUNRP-GFCCVEGCSA-N 2 1 338.839 1.065 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000261676579 139216630 /nfs/dbraw/zinc/21/66/30/139216630.db2.gz HPZUKUOAHNUNRP-GFCCVEGCSA-N 2 1 338.839 1.065 20 0 EDADMP COc1cc(C)c(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1OC ZINC000262041127 139245987 /nfs/dbraw/zinc/24/59/87/139245987.db2.gz PDOAOOHXSUFNHF-INIZCTEOSA-N 2 1 349.475 1.832 20 0 EDADMP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])o1 ZINC000262049659 139246672 /nfs/dbraw/zinc/24/66/72/139246672.db2.gz QCFLLBSNZLHCJV-ZDUSSCGKSA-N 2 1 337.420 1.276 20 0 EDADMP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])o1 ZINC000262049659 139246673 /nfs/dbraw/zinc/24/66/73/139246673.db2.gz QCFLLBSNZLHCJV-ZDUSSCGKSA-N 2 1 337.420 1.276 20 0 EDADMP [NH3+]C[C@@H]1CCCCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000414961061 250901396 /nfs/dbraw/zinc/90/13/96/250901396.db2.gz ICPYBDSKYBASLZ-SFHVURJKSA-N 2 1 346.475 1.906 20 0 EDADMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000262117742 139252371 /nfs/dbraw/zinc/25/23/71/139252371.db2.gz LOHBBSVSJCNXAV-APWZRJJASA-N 2 1 349.438 1.604 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416150282 251054277 /nfs/dbraw/zinc/05/42/77/251054277.db2.gz JFVQNLCZRADLHJ-LJQANCHMSA-N 2 1 345.487 1.662 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416150282 251054278 /nfs/dbraw/zinc/05/42/78/251054278.db2.gz JFVQNLCZRADLHJ-LJQANCHMSA-N 2 1 345.487 1.662 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416150282 251054282 /nfs/dbraw/zinc/05/42/82/251054282.db2.gz JFVQNLCZRADLHJ-LJQANCHMSA-N 2 1 345.487 1.662 20 0 EDADMP O=C(CC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2)N1CC[NH2+]CC1 ZINC000262252587 139263707 /nfs/dbraw/zinc/26/37/07/139263707.db2.gz WYBOUXOXEFZLMZ-INIZCTEOSA-N 2 1 345.443 1.417 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000416792279 251109763 /nfs/dbraw/zinc/10/97/63/251109763.db2.gz LHNWWZXHBNSMMG-IBGZPJMESA-N 2 1 348.466 1.994 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000416873961 251114089 /nfs/dbraw/zinc/11/40/89/251114089.db2.gz OONUMXDTKPECKP-ROUUACIJSA-N 2 1 330.476 1.759 20 0 EDADMP C[C@@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000262316380 139269385 /nfs/dbraw/zinc/26/93/85/139269385.db2.gz QXNCAVZPUHGZGC-QGZVFWFLSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000417012565 251130740 /nfs/dbraw/zinc/13/07/40/251130740.db2.gz XFAOXNOHFAJHHE-OAHLLOKOSA-N 2 1 330.476 1.814 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262317138 139269567 /nfs/dbraw/zinc/26/95/67/139269567.db2.gz UWEMQRFDVDZRHG-SQNIBIBYSA-N 2 1 344.503 1.831 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000417014342 251132737 /nfs/dbraw/zinc/13/27/37/251132737.db2.gz DDPGCTYGWVIHJU-QAPCUYQASA-N 2 1 330.476 1.875 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@@H]1C[NH2+]CCCO1 ZINC000417015266 251133387 /nfs/dbraw/zinc/13/33/87/251133387.db2.gz FHPQRHLWZCLGIA-SFHVURJKSA-N 2 1 346.475 1.113 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000417000502 251125012 /nfs/dbraw/zinc/12/50/12/251125012.db2.gz CXUJEWFEFPILDL-QAPCUYQASA-N 2 1 330.476 1.956 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000417271455 251151423 /nfs/dbraw/zinc/15/14/23/251151423.db2.gz QSLOWCYCPYTZIG-YOEHRIQHSA-N 2 1 334.464 1.444 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000417271455 251151426 /nfs/dbraw/zinc/15/14/26/251151426.db2.gz QSLOWCYCPYTZIG-YOEHRIQHSA-N 2 1 334.464 1.444 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000417497137 251180677 /nfs/dbraw/zinc/18/06/77/251180677.db2.gz AJXMCFDMUAIGLE-INIZCTEOSA-N 2 1 336.480 1.733 20 0 EDADMP COCC1(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC[NH2+]CC1 ZINC000262362735 139273269 /nfs/dbraw/zinc/27/32/69/139273269.db2.gz KMSSKUVKXAAKHX-UHFFFAOYSA-N 2 1 343.431 1.208 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417615919 251206862 /nfs/dbraw/zinc/20/68/62/251206862.db2.gz YJJWWLONVAQVEJ-DLBZAZTESA-N 2 1 340.512 1.646 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH2+]C)C2)[C@@H](C)C1 ZINC000417674504 251225049 /nfs/dbraw/zinc/22/50/49/251225049.db2.gz ZOPLCFUICSEPFB-ULQDDVLXSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000262424569 139278194 /nfs/dbraw/zinc/27/81/94/139278194.db2.gz FIIVTOMKYSZHMS-HIFRSBDPSA-N 2 1 325.478 1.354 20 0 EDADMP C[C@@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000262424569 139278195 /nfs/dbraw/zinc/27/81/95/139278195.db2.gz FIIVTOMKYSZHMS-HIFRSBDPSA-N 2 1 325.478 1.354 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH2+]C1CCCCCC1)C[NH+]1CCOCC1 ZINC000417725769 251245472 /nfs/dbraw/zinc/24/54/72/251245472.db2.gz LVZGQKQYOCTHPQ-INIZCTEOSA-N 2 1 340.512 1.566 20 0 EDADMP [NH3+]CCCNC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000417890562 251315892 /nfs/dbraw/zinc/31/58/92/251315892.db2.gz BFJSCBBTJYKSEC-UHFFFAOYSA-N 2 1 339.871 1.110 20 0 EDADMP CC[N@@H+](CCNC(=O)NCCC1=CC[NH2+]CC1)CCC(F)(F)F ZINC000418078589 251320203 /nfs/dbraw/zinc/32/02/03/251320203.db2.gz OERMMBBKBQFZGK-UHFFFAOYSA-N 2 1 336.402 1.870 20 0 EDADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)N1CCC[NH2+]CC1 ZINC000418077002 251321044 /nfs/dbraw/zinc/32/10/44/251321044.db2.gz KQPMVYKAHJOVFP-KRWDZBQOSA-N 2 1 348.516 1.609 20 0 EDADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)N1CCC[NH2+]CC1 ZINC000418077002 251321051 /nfs/dbraw/zinc/32/10/51/251321051.db2.gz KQPMVYKAHJOVFP-KRWDZBQOSA-N 2 1 348.516 1.609 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)CCC(F)(F)F ZINC000418077599 251321068 /nfs/dbraw/zinc/32/10/68/251321068.db2.gz MEDAGFLTCSRSIR-STQMWFEESA-N 2 1 336.402 1.654 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418106378 251322378 /nfs/dbraw/zinc/32/23/78/251322378.db2.gz MZQODAOQUZRBFE-NJAFHUGGSA-N 2 1 330.476 1.887 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C[NH3+])CC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000418424178 251366404 /nfs/dbraw/zinc/36/64/04/251366404.db2.gz GOAJUJPODRZAJM-BZUAXINKSA-N 2 1 326.485 1.112 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC([NH3+])(CC)CC)C[C@H]1[NH+]1CCOCC1 ZINC000418429885 251368923 /nfs/dbraw/zinc/36/89/23/251368923.db2.gz SXOIPOMGKAITQL-HUUCEWRRSA-N 2 1 326.485 1.256 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000418437476 251369943 /nfs/dbraw/zinc/36/99/43/251369943.db2.gz CYBWWKYVFHHDGF-MRXNPFEDSA-N 2 1 336.484 1.155 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000418437476 251369945 /nfs/dbraw/zinc/36/99/45/251369945.db2.gz CYBWWKYVFHHDGF-MRXNPFEDSA-N 2 1 336.484 1.155 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418708096 251390719 /nfs/dbraw/zinc/39/07/19/251390719.db2.gz BYVSSBSUZUFJKA-LSDHHAIUSA-N 2 1 326.485 1.256 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418708096 251390722 /nfs/dbraw/zinc/39/07/22/251390722.db2.gz BYVSSBSUZUFJKA-LSDHHAIUSA-N 2 1 326.485 1.256 20 0 EDADMP [NH3+]CC[C@H](NC(=O)N1CC[NH+](CCc2cccs2)CC1)C(F)F ZINC000418722205 251396927 /nfs/dbraw/zinc/39/69/27/251396927.db2.gz XUGIEHXCYXJUEM-ZDUSSCGKSA-N 2 1 346.447 1.600 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418719828 251397612 /nfs/dbraw/zinc/39/76/12/251397612.db2.gz LEDVQIMZTJIXIR-HOTGVXAUSA-N 2 1 339.528 1.171 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418719828 251397617 /nfs/dbraw/zinc/39/76/17/251397617.db2.gz LEDVQIMZTJIXIR-HOTGVXAUSA-N 2 1 339.528 1.171 20 0 EDADMP C[C@@H](CCCC[NH3+])NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000418677688 251384810 /nfs/dbraw/zinc/38/48/10/251384810.db2.gz UOMQBPPMINFBPY-HNNXBMFYSA-N 2 1 328.501 1.504 20 0 EDADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262832638 139306622 /nfs/dbraw/zinc/30/66/22/139306622.db2.gz QOBOEASUTZQUNZ-JZXOWHBKSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262832638 139306623 /nfs/dbraw/zinc/30/66/23/139306623.db2.gz QOBOEASUTZQUNZ-JZXOWHBKSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000262811452 139305362 /nfs/dbraw/zinc/30/53/62/139305362.db2.gz FYJCZXCDJDEEDJ-CQSZACIVSA-N 2 1 341.402 1.409 20 0 EDADMP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422889623 252011684 /nfs/dbraw/zinc/01/16/84/252011684.db2.gz PYRZVRBFXKOZHR-LPHOPBHVSA-N 3 1 346.519 1.991 20 0 EDADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000423150014 252038585 /nfs/dbraw/zinc/03/85/85/252038585.db2.gz YKLYNIHMXYSQIB-QWHCGFSZSA-N 2 1 328.254 1.860 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@H](c1ccccc1)N1CCOCC1 ZINC000423489197 252055483 /nfs/dbraw/zinc/05/54/83/252055483.db2.gz FOKWTQCAZYJQRV-YTQUADARSA-N 2 1 333.476 1.417 20 0 EDADMP CC[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@H]1[NH+]1CCOCC1 ZINC000423868271 252100231 /nfs/dbraw/zinc/10/02/31/252100231.db2.gz HLCCAOYDZHPNMD-IMBTUZDBSA-N 2 1 335.492 1.335 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424139997 252139708 /nfs/dbraw/zinc/13/97/08/252139708.db2.gz VXTOTNDTCXMLNJ-TZMCWYRMSA-N 2 1 330.436 1.448 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424139880 252140694 /nfs/dbraw/zinc/14/06/94/252140694.db2.gz VSOZOKDYPMFXFX-HZPDHXFCSA-N 2 1 348.495 1.587 20 0 EDADMP CN(C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000424147755 252143902 /nfs/dbraw/zinc/14/39/02/252143902.db2.gz SDISUQKYHDZMEZ-OAGGEKHMSA-N 2 1 330.432 1.139 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424218780 252167879 /nfs/dbraw/zinc/16/78/79/252167879.db2.gz WZGDKMITBDXAKB-CQSZACIVSA-N 2 1 349.479 1.060 20 0 EDADMP C[C@H]([NH3+])CCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262917172 139312591 /nfs/dbraw/zinc/31/25/91/139312591.db2.gz ZBFSCCYRPSHSCN-ZFWWWQNUSA-N 2 1 332.448 1.450 20 0 EDADMP COC(=O)CC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000424308695 252194256 /nfs/dbraw/zinc/19/42/56/252194256.db2.gz HAAPQUGKSATHEW-CHPDAQJUSA-N 2 1 346.471 1.801 20 0 EDADMP COC(=O)CC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000424308695 252194261 /nfs/dbraw/zinc/19/42/61/252194261.db2.gz HAAPQUGKSATHEW-CHPDAQJUSA-N 2 1 346.471 1.801 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+](CCN(C)C)CC2)c1 ZINC000424446213 252234709 /nfs/dbraw/zinc/23/47/09/252234709.db2.gz QXBRZNPYWVNLAF-UHFFFAOYSA-N 2 1 333.480 1.601 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)c2C1 ZINC000415621409 304240671 /nfs/dbraw/zinc/24/06/71/304240671.db2.gz JXTLSVOEBIREPT-SUMWQHHRSA-N 2 1 344.459 1.465 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)c2C1 ZINC000415621409 304240673 /nfs/dbraw/zinc/24/06/73/304240673.db2.gz JXTLSVOEBIREPT-SUMWQHHRSA-N 2 1 344.459 1.465 20 0 EDADMP COC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000165347452 532972601 /nfs/dbraw/zinc/97/26/01/532972601.db2.gz GWDGESCBOGZRKO-QGZVFWFLSA-N 2 1 331.460 1.536 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000458372308 285021672 /nfs/dbraw/zinc/02/16/72/285021672.db2.gz QQRZAENPBGHPOZ-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CC2)C[C@H](C)C1 ZINC000458372308 285021661 /nfs/dbraw/zinc/02/16/61/285021661.db2.gz QQRZAENPBGHPOZ-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000458372308 285021666 /nfs/dbraw/zinc/02/16/66/285021666.db2.gz QQRZAENPBGHPOZ-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416150363 285020283 /nfs/dbraw/zinc/02/02/83/285020283.db2.gz JQIUARFRDRGKCX-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000246578832 285023166 /nfs/dbraw/zinc/02/31/66/285023166.db2.gz CDCWZCNULFOUIB-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246578832 285023167 /nfs/dbraw/zinc/02/31/67/285023167.db2.gz CDCWZCNULFOUIB-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246578832 285023168 /nfs/dbraw/zinc/02/31/68/285023168.db2.gz CDCWZCNULFOUIB-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)C2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263282630 139332978 /nfs/dbraw/zinc/33/29/78/139332978.db2.gz JZSSCVXNKINPLZ-IAQYHMDHSA-N 2 1 325.815 1.808 20 0 EDADMP CC[NH+]1CCN(CCC(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000263732276 139356299 /nfs/dbraw/zinc/35/62/99/139356299.db2.gz YWBHQRRWJYBXEX-UHFFFAOYSA-N 2 1 332.492 1.262 20 0 EDADMP CCN1CC[NH+](CCC(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000263732276 139356300 /nfs/dbraw/zinc/35/63/00/139356300.db2.gz YWBHQRRWJYBXEX-UHFFFAOYSA-N 2 1 332.492 1.262 20 0 EDADMP CCN1CC[NH+](CCC(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000263732276 139356301 /nfs/dbraw/zinc/35/63/01/139356301.db2.gz YWBHQRRWJYBXEX-UHFFFAOYSA-N 2 1 332.492 1.262 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000263804059 139361660 /nfs/dbraw/zinc/36/16/60/139361660.db2.gz WWSOQNKGWDGCGX-UHFFFAOYSA-N 2 1 340.468 1.239 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C)nc1C ZINC000271932595 285250279 /nfs/dbraw/zinc/25/02/79/285250279.db2.gz LFIHOVVDOBMJTF-MRXNPFEDSA-N 2 1 333.480 1.582 20 0 EDADMP CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000496242787 255369750 /nfs/dbraw/zinc/36/97/50/255369750.db2.gz HCVAOXAHBSRPJV-BBRMVZONSA-N 2 1 327.469 1.288 20 0 EDADMP CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000496242787 255369751 /nfs/dbraw/zinc/36/97/51/255369751.db2.gz HCVAOXAHBSRPJV-BBRMVZONSA-N 2 1 327.469 1.288 20 0 EDADMP CN(C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)OC(C)(C)C ZINC000496254719 255371243 /nfs/dbraw/zinc/37/12/43/255371243.db2.gz LIFAKLDEEPMZKQ-ILXRZTDVSA-N 2 1 327.469 1.431 20 0 EDADMP CN(C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)OC(C)(C)C ZINC000496254719 255371244 /nfs/dbraw/zinc/37/12/44/255371244.db2.gz LIFAKLDEEPMZKQ-ILXRZTDVSA-N 2 1 327.469 1.431 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000119079541 221238662 /nfs/dbraw/zinc/23/86/62/221238662.db2.gz BKSXXGGPONCLGW-UHFFFAOYSA-N 2 1 347.507 1.602 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000119079541 221238665 /nfs/dbraw/zinc/23/86/65/221238665.db2.gz BKSXXGGPONCLGW-UHFFFAOYSA-N 2 1 347.507 1.602 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415909454 304284761 /nfs/dbraw/zinc/28/47/61/304284761.db2.gz GDMHFLVRSHVMSZ-INIZCTEOSA-N 2 1 347.507 1.801 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)CC[N@@H+]1C ZINC000181502709 533647067 /nfs/dbraw/zinc/64/70/67/533647067.db2.gz WNHKINRDWYHKFT-OLZOCXBDSA-N 2 1 331.507 1.441 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)CC[N@H+]1C ZINC000181502709 533647071 /nfs/dbraw/zinc/64/70/71/533647071.db2.gz WNHKINRDWYHKFT-OLZOCXBDSA-N 2 1 331.507 1.441 20 0 EDADMP CN(C(=O)CC(F)(F)C[NH3+])C1CC[NH+](CCc2ccccn2)CC1 ZINC000571574862 306568706 /nfs/dbraw/zinc/56/87/06/306568706.db2.gz CZUJZAQWAIWYHH-UHFFFAOYSA-N 2 1 340.418 1.531 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC[C@@H]1[NH3+] ZINC000269281574 139908382 /nfs/dbraw/zinc/90/83/82/139908382.db2.gz QWXXOHGULKDCOL-PVAVHDDUSA-N 2 1 333.501 1.972 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000271182470 140252517 /nfs/dbraw/zinc/25/25/17/140252517.db2.gz YXSULFSFILWBEX-MRXNPFEDSA-N 2 1 333.476 1.723 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C[C@H]4CCOC4)CC3)C2)cc1 ZINC000271452513 140297800 /nfs/dbraw/zinc/29/78/00/140297800.db2.gz UZYMPZPTEWDXCK-WOJBJXKFSA-N 2 1 329.488 1.915 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC000332875526 141242342 /nfs/dbraw/zinc/24/23/42/141242342.db2.gz OYRHQRXDJWYPMI-DQIHPLBOSA-N 2 1 338.496 1.098 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000333312110 141297246 /nfs/dbraw/zinc/29/72/46/141297246.db2.gz LUHOJKIHADYMKL-UAGQMJEPSA-N 2 1 343.475 1.988 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000333399269 141311642 /nfs/dbraw/zinc/31/16/42/141311642.db2.gz PSYHIQMASWFVNC-BBWFWOEESA-N 2 1 331.464 1.610 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000333506877 141328599 /nfs/dbraw/zinc/32/85/99/141328599.db2.gz DYJZTSBDLPKPFM-SFHVURJKSA-N 2 1 349.454 1.641 20 0 EDADMP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)NCC1CCCCC1 ZINC000333630165 141347587 /nfs/dbraw/zinc/34/75/87/141347587.db2.gz AUDLCAOWLUHTLF-SJORKVTESA-N 2 1 335.492 1.383 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000333646257 141349839 /nfs/dbraw/zinc/34/98/39/141349839.db2.gz VCIHLORPEZKAGH-WBMJQRKESA-N 2 1 346.479 1.359 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000333802948 141384473 /nfs/dbraw/zinc/38/44/73/141384473.db2.gz OITQJZMUATUWRH-LJIGWXMPSA-N 2 1 348.495 1.243 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333810112 141385755 /nfs/dbraw/zinc/38/57/55/141385755.db2.gz FKJFSZNHBBEITN-NCOADZHNSA-N 2 1 335.492 1.382 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000339318526 142013491 /nfs/dbraw/zinc/01/34/91/142013491.db2.gz SSPIXKLIJJDNAU-XHSDSOJGSA-N 2 1 328.501 1.230 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339318526 142013492 /nfs/dbraw/zinc/01/34/92/142013492.db2.gz SSPIXKLIJJDNAU-XHSDSOJGSA-N 2 1 328.501 1.230 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339318526 142013493 /nfs/dbraw/zinc/01/34/93/142013493.db2.gz SSPIXKLIJJDNAU-XHSDSOJGSA-N 2 1 328.501 1.230 20 0 EDADMP Cc1ccc(CCC[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000339407834 142040290 /nfs/dbraw/zinc/04/02/90/142040290.db2.gz PAMGIXHQGNNLKB-MOPGFXCFSA-N 2 1 344.503 1.903 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000339612869 142093433 /nfs/dbraw/zinc/09/34/33/142093433.db2.gz GYGWQTAARQJKHX-INIZCTEOSA-N 2 1 340.512 1.164 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000339923482 142201490 /nfs/dbraw/zinc/20/14/90/142201490.db2.gz OFHSZJUJTLZWDF-HNNXBMFYSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000340182310 142294712 /nfs/dbraw/zinc/29/47/12/142294712.db2.gz VHNSWTLCVUAUEX-KRWDZBQOSA-N 2 1 337.489 1.785 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000340205457 142302367 /nfs/dbraw/zinc/30/23/67/142302367.db2.gz IEXVXQRIOIVHNT-UHFFFAOYSA-N 2 1 349.479 1.031 20 0 EDADMP CCOCCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340367896 142362069 /nfs/dbraw/zinc/36/20/69/142362069.db2.gz XRBHKPYDJOHNEL-QRVBRYPASA-N 2 1 336.476 1.826 20 0 EDADMP CCOCCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340367896 142362070 /nfs/dbraw/zinc/36/20/70/142362070.db2.gz XRBHKPYDJOHNEL-QRVBRYPASA-N 2 1 336.476 1.826 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000344747530 143006627 /nfs/dbraw/zinc/00/66/27/143006627.db2.gz MQKRVQVBBFYWCP-NEWSRXKRSA-N 2 1 345.487 1.591 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000344747530 143006628 /nfs/dbraw/zinc/00/66/28/143006628.db2.gz MQKRVQVBBFYWCP-NEWSRXKRSA-N 2 1 345.487 1.591 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000344747530 143006629 /nfs/dbraw/zinc/00/66/29/143006629.db2.gz MQKRVQVBBFYWCP-NEWSRXKRSA-N 2 1 345.487 1.591 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)CCC[N@H+]1C ZINC000345766638 143130968 /nfs/dbraw/zinc/13/09/68/143130968.db2.gz AKIABTVFKFYUGU-NVXWUHKLSA-N 2 1 333.480 1.638 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC2([NH+](C)C)CCCC2)[N@@H+](C)C1 ZINC000345852269 143139725 /nfs/dbraw/zinc/13/97/25/143139725.db2.gz LFDKFVIYBPELEK-LSDHHAIUSA-N 2 1 326.485 1.221 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC2([NH+](C)C)CCCCC2)[N@@H+](C)C1 ZINC000345869583 143141543 /nfs/dbraw/zinc/14/15/43/143141543.db2.gz WPIRZHVHRVNTTI-HZPDHXFCSA-N 2 1 340.512 1.611 20 0 EDADMP CCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000346330414 143192626 /nfs/dbraw/zinc/19/26/26/143192626.db2.gz HDNUNFBVMAMZIJ-QGZVFWFLSA-N 2 1 325.497 1.820 20 0 EDADMP CCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000346330414 143192627 /nfs/dbraw/zinc/19/26/27/143192627.db2.gz HDNUNFBVMAMZIJ-QGZVFWFLSA-N 2 1 325.497 1.820 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000346876884 143254897 /nfs/dbraw/zinc/25/48/97/143254897.db2.gz FZCAWWWZILSJDD-SJLPKXTDSA-N 2 1 330.480 1.940 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000346876884 143254898 /nfs/dbraw/zinc/25/48/98/143254898.db2.gz FZCAWWWZILSJDD-SJLPKXTDSA-N 2 1 330.480 1.940 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000347023859 143272930 /nfs/dbraw/zinc/27/29/30/143272930.db2.gz QFBMBKJRYXPXMA-CQSZACIVSA-N 2 1 345.422 1.503 20 0 EDADMP Cn1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(-c2ccccc2)n1 ZINC000347194326 143293420 /nfs/dbraw/zinc/29/34/20/143293420.db2.gz GRNNVSFFXUIQLW-MRXNPFEDSA-N 2 1 341.459 1.374 20 0 EDADMP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cnccn1 ZINC000347282286 143303603 /nfs/dbraw/zinc/30/36/03/143303603.db2.gz ZJBYARCZXWPZTQ-RDJZCZTQSA-N 2 1 341.459 1.416 20 0 EDADMP C[N@@H+](CCNC(=O)CCCCN1CCOCC1)C1CCCCC1 ZINC000347336587 143310127 /nfs/dbraw/zinc/31/01/27/143310127.db2.gz OJZNLUQXIVWTGV-UHFFFAOYSA-N 2 1 325.497 1.870 20 0 EDADMP C[N@H+](CCNC(=O)CCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000347336587 143310128 /nfs/dbraw/zinc/31/01/28/143310128.db2.gz OJZNLUQXIVWTGV-UHFFFAOYSA-N 2 1 325.497 1.870 20 0 EDADMP C[N@@H+](CCNC(=O)CCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000347336587 143310129 /nfs/dbraw/zinc/31/01/29/143310129.db2.gz OJZNLUQXIVWTGV-UHFFFAOYSA-N 2 1 325.497 1.870 20 0 EDADMP Cn1nccc1CN1C[C@H](F)C[C@H]1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348080319 143398507 /nfs/dbraw/zinc/39/85/07/143398507.db2.gz HZGLFMURZUAWRU-RYRKJORJSA-N 2 1 337.487 1.749 20 0 EDADMP Cn1nccc1CN1C[C@H](F)C[C@H]1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348080319 143398508 /nfs/dbraw/zinc/39/85/08/143398508.db2.gz HZGLFMURZUAWRU-RYRKJORJSA-N 2 1 337.487 1.749 20 0 EDADMP Cn1nccc1CN1C[C@H](F)C[C@H]1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348080319 143398509 /nfs/dbraw/zinc/39/85/09/143398509.db2.gz HZGLFMURZUAWRU-RYRKJORJSA-N 2 1 337.487 1.749 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000349932470 143521406 /nfs/dbraw/zinc/52/14/06/143521406.db2.gz JCUXVZAPHLBTMH-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)cn1 ZINC000369691138 155137299 /nfs/dbraw/zinc/13/72/99/155137299.db2.gz GIUYNHXOZQZPMI-UHFFFAOYSA-N 2 1 345.491 1.329 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)cn1 ZINC000369691138 155137301 /nfs/dbraw/zinc/13/73/01/155137301.db2.gz GIUYNHXOZQZPMI-UHFFFAOYSA-N 2 1 345.491 1.329 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000416842861 304351096 /nfs/dbraw/zinc/35/10/96/304351096.db2.gz NRTVYDBHRGLNRL-RCCFBDPRSA-N 2 1 346.475 1.409 20 0 EDADMP COC[C@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000352874358 149198717 /nfs/dbraw/zinc/19/87/17/149198717.db2.gz VSNFNPKPNKKDGX-ROUUACIJSA-N 2 1 345.487 1.860 20 0 EDADMP COC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000352874358 149198719 /nfs/dbraw/zinc/19/87/19/149198719.db2.gz VSNFNPKPNKKDGX-ROUUACIJSA-N 2 1 345.487 1.860 20 0 EDADMP CC(C)n1cc(C[N@@H+]2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC000369934174 155242525 /nfs/dbraw/zinc/24/25/25/155242525.db2.gz GXCFZCIQVPMRDX-UHFFFAOYSA-N 2 1 347.507 1.840 20 0 EDADMP CC(C)n1cc(C[N@H+]2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC000369934174 155242528 /nfs/dbraw/zinc/24/25/28/155242528.db2.gz GXCFZCIQVPMRDX-UHFFFAOYSA-N 2 1 347.507 1.840 20 0 EDADMP CC(C)C[C@H](CNC(=O)NCC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000573583164 306625612 /nfs/dbraw/zinc/62/56/12/306625612.db2.gz OZMDOQNRLQTWHZ-MRXNPFEDSA-N 2 1 326.485 1.032 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000416975754 304359442 /nfs/dbraw/zinc/35/94/42/304359442.db2.gz ZWTDQTKUHWGYGF-SFHVURJKSA-N 2 1 348.491 1.705 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000354923994 150034248 /nfs/dbraw/zinc/03/42/48/150034248.db2.gz RKKVNLZVHNNVDQ-GOEBONIOSA-N 2 1 334.464 1.312 20 0 EDADMP COCC(C)(C)C[NH2+]C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354936776 150042691 /nfs/dbraw/zinc/04/26/91/150042691.db2.gz ZOJAQXKPZUPNSQ-KGLIPLIRSA-N 2 1 339.459 1.722 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCN1C1CC[NH+](C)CC1 ZINC000355111312 150121478 /nfs/dbraw/zinc/12/14/78/150121478.db2.gz NOURNPBAGWZJDO-JKSUJKDBSA-N 2 1 349.523 1.033 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CCCc3[nH+]ccn32)ccc1=O ZINC000355266328 150192218 /nfs/dbraw/zinc/19/22/18/150192218.db2.gz MUIWTHCYARJKBL-AWEZNQCLSA-N 2 1 329.404 1.123 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCCOCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000355333693 150221010 /nfs/dbraw/zinc/22/10/10/150221010.db2.gz CKBHLRMKVYUNOA-WMZOPIPTSA-N 2 1 348.491 1.527 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cc3)[C@@H]2C1 ZINC000355337197 150223210 /nfs/dbraw/zinc/22/32/10/150223210.db2.gz FKMUFMDPUPLNFG-QZTJIDSGSA-N 2 1 340.427 1.808 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000355400705 150253862 /nfs/dbraw/zinc/25/38/62/150253862.db2.gz UBYXLGHBUANSHA-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000355481041 150285230 /nfs/dbraw/zinc/28/52/30/150285230.db2.gz MCRBZCFLJQKFEB-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000355481041 150285232 /nfs/dbraw/zinc/28/52/32/150285232.db2.gz MCRBZCFLJQKFEB-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP COC[C@@]1(CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417032356 304363138 /nfs/dbraw/zinc/36/31/38/304363138.db2.gz FCZMECNFBKASTA-AEFFLSMTSA-N 2 1 340.512 1.566 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000417034573 304363621 /nfs/dbraw/zinc/36/36/21/304363621.db2.gz GCFJZVOCZFVHBT-IRXDYDNUSA-N 2 1 339.528 1.173 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000358001080 151229757 /nfs/dbraw/zinc/22/97/57/151229757.db2.gz JPJJAROCPUNLJJ-HOTGVXAUSA-N 2 1 328.501 1.374 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000358001080 151229759 /nfs/dbraw/zinc/22/97/59/151229759.db2.gz JPJJAROCPUNLJJ-HOTGVXAUSA-N 2 1 328.501 1.374 20 0 EDADMP CCOc1c(Cl)cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC000358157304 151290005 /nfs/dbraw/zinc/29/00/05/151290005.db2.gz HFMJTKQAJFTOIZ-MRXNPFEDSA-N 2 1 328.840 1.904 20 0 EDADMP CCOc1c(Cl)cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000358157304 151290006 /nfs/dbraw/zinc/29/00/06/151290006.db2.gz HFMJTKQAJFTOIZ-MRXNPFEDSA-N 2 1 328.840 1.904 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000358430107 151372316 /nfs/dbraw/zinc/37/23/16/151372316.db2.gz YYZYOYAJVRDXSN-ULQDDVLXSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000358430107 151372318 /nfs/dbraw/zinc/37/23/18/151372318.db2.gz YYZYOYAJVRDXSN-ULQDDVLXSA-N 2 1 340.512 1.611 20 0 EDADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417090729 304371590 /nfs/dbraw/zinc/37/15/90/304371590.db2.gz YFLUSKPAOQQRNA-GBESFXJTSA-N 2 1 342.487 1.902 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000360388041 152016105 /nfs/dbraw/zinc/01/61/05/152016105.db2.gz CMKAFRHBZMXJHO-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000360388041 152016108 /nfs/dbraw/zinc/01/61/08/152016108.db2.gz CMKAFRHBZMXJHO-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000360388041 152016111 /nfs/dbraw/zinc/01/61/11/152016111.db2.gz CMKAFRHBZMXJHO-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000360388041 152016112 /nfs/dbraw/zinc/01/61/12/152016112.db2.gz CMKAFRHBZMXJHO-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP CC(C)O[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1(C)C ZINC000361237008 152342896 /nfs/dbraw/zinc/34/28/96/152342896.db2.gz HYOZFICEKWDEPV-HRCADAONSA-N 2 1 325.497 1.756 20 0 EDADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1(C)C ZINC000361237007 152343022 /nfs/dbraw/zinc/34/30/22/152343022.db2.gz HYOZFICEKWDEPV-BZUAXINKSA-N 2 1 325.497 1.756 20 0 EDADMP C[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[C@H]1[NH3+] ZINC000417176819 304380688 /nfs/dbraw/zinc/38/06/88/304380688.db2.gz LHIXXIOSOJEGTN-MAUKXSAKSA-N 2 1 346.475 1.398 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000363560893 153000796 /nfs/dbraw/zinc/00/07/96/153000796.db2.gz TWBYWXZHYMONBE-UHFFFAOYSA-N 2 1 335.496 1.831 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363905160 153091632 /nfs/dbraw/zinc/09/16/32/153091632.db2.gz MFJCPZFEHXLXBS-UHFFFAOYSA-N 2 1 332.448 1.475 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000363905160 153091634 /nfs/dbraw/zinc/09/16/34/153091634.db2.gz MFJCPZFEHXLXBS-UHFFFAOYSA-N 2 1 332.448 1.475 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000364022010 153124618 /nfs/dbraw/zinc/12/46/18/153124618.db2.gz XPDMUYYYPVKBGQ-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000364022010 153124622 /nfs/dbraw/zinc/12/46/22/153124622.db2.gz XPDMUYYYPVKBGQ-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1[NH3+] ZINC000417191621 304382675 /nfs/dbraw/zinc/38/26/75/304382675.db2.gz XYMQIVPRPPZPIJ-YOEHRIQHSA-N 2 1 332.448 1.007 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000364705138 153310394 /nfs/dbraw/zinc/31/03/94/153310394.db2.gz HYUGHLVHTOTJIE-HOTGVXAUSA-N 2 1 333.480 1.865 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000364705138 153310395 /nfs/dbraw/zinc/31/03/95/153310395.db2.gz HYUGHLVHTOTJIE-HOTGVXAUSA-N 2 1 333.480 1.865 20 0 EDADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CCC[C@@H]3C[NH+](C)CC[C@@H]31)C2 ZINC000364945379 153379272 /nfs/dbraw/zinc/37/92/72/153379272.db2.gz RLKIUSPAJFCADL-BXEXHWSDSA-N 2 1 334.508 1.985 20 0 EDADMP C[NH+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CCC[C@@H]3C[N@H+](C)CC[C@@H]31)C2 ZINC000364945379 153379273 /nfs/dbraw/zinc/37/92/73/153379273.db2.gz RLKIUSPAJFCADL-BXEXHWSDSA-N 2 1 334.508 1.985 20 0 EDADMP C[NH+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CCC[C@@H]3C[N@@H+](C)CC[C@@H]31)C2 ZINC000364945379 153379274 /nfs/dbraw/zinc/37/92/74/153379274.db2.gz RLKIUSPAJFCADL-BXEXHWSDSA-N 2 1 334.508 1.985 20 0 EDADMP O=C(NCC1(N2CCOCC2)CC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000365013651 153397940 /nfs/dbraw/zinc/39/79/40/153397940.db2.gz DTYLXTMXPNXNQJ-OAHLLOKOSA-N 2 1 336.480 1.167 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000417277971 304389047 /nfs/dbraw/zinc/38/90/47/304389047.db2.gz IYDUIBKJYFOJNB-LBPRGKRZSA-N 2 1 333.411 1.975 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)CC1 ZINC000367305994 154073567 /nfs/dbraw/zinc/07/35/67/154073567.db2.gz SUPKMWWMRJMLMW-OAHLLOKOSA-N 2 1 346.479 1.026 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)CC1 ZINC000367305994 154073570 /nfs/dbraw/zinc/07/35/70/154073570.db2.gz SUPKMWWMRJMLMW-OAHLLOKOSA-N 2 1 346.479 1.026 20 0 EDADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367383532 154098421 /nfs/dbraw/zinc/09/84/21/154098421.db2.gz CGGCTPZFYSENKI-MRXNPFEDSA-N 2 1 337.414 1.964 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000368011311 154368444 /nfs/dbraw/zinc/36/84/44/154368444.db2.gz XKMNGRVMJYWDCB-UKRRQHHQSA-N 2 1 325.453 1.180 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@](O)(c3ccccc3)CC2)CC1 ZINC000368058721 154389603 /nfs/dbraw/zinc/38/96/03/154389603.db2.gz QBRZLUCHGFRZMB-HXUWFJFHSA-N 2 1 345.487 1.524 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@](O)(c3ccccc3)CC2)CC1 ZINC000368058721 154389606 /nfs/dbraw/zinc/38/96/06/154389606.db2.gz QBRZLUCHGFRZMB-HXUWFJFHSA-N 2 1 345.487 1.524 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000417345136 304393307 /nfs/dbraw/zinc/39/33/07/304393307.db2.gz UAOUGJRQBPAGKF-OXJNMPFZSA-N 2 1 342.487 1.828 20 0 EDADMP O[C@H](COCc1ccccc1)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369656493 155121518 /nfs/dbraw/zinc/12/15/18/155121518.db2.gz KMZTVMXLPDSGMF-FUMNGEBKSA-N 2 1 330.472 1.980 20 0 EDADMP O[C@H](COCc1ccccc1)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369656493 155121519 /nfs/dbraw/zinc/12/15/19/155121519.db2.gz KMZTVMXLPDSGMF-FUMNGEBKSA-N 2 1 330.472 1.980 20 0 EDADMP O[C@H](COCc1ccccc1)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369656493 155121520 /nfs/dbraw/zinc/12/15/20/155121520.db2.gz KMZTVMXLPDSGMF-FUMNGEBKSA-N 2 1 330.472 1.980 20 0 EDADMP COCCN1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC000371739401 156084917 /nfs/dbraw/zinc/08/49/17/156084917.db2.gz MBHFAOWCWOACEG-XYTVBORESA-N 2 1 338.496 1.221 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC000371739401 156084919 /nfs/dbraw/zinc/08/49/19/156084919.db2.gz MBHFAOWCWOACEG-XYTVBORESA-N 2 1 338.496 1.221 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC000371739401 156084921 /nfs/dbraw/zinc/08/49/21/156084921.db2.gz MBHFAOWCWOACEG-XYTVBORESA-N 2 1 338.496 1.221 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC000371739401 156084924 /nfs/dbraw/zinc/08/49/24/156084924.db2.gz MBHFAOWCWOACEG-XYTVBORESA-N 2 1 338.496 1.221 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC000371739401 156084925 /nfs/dbraw/zinc/08/49/25/156084925.db2.gz MBHFAOWCWOACEG-XYTVBORESA-N 2 1 338.496 1.221 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(C)ncc2C)CC1=O ZINC000372164942 156250052 /nfs/dbraw/zinc/25/00/52/156250052.db2.gz NZNQHVQFIYEZCI-HZPDHXFCSA-N 2 1 344.459 1.392 20 0 EDADMP COc1ccc([C@@H]2[C@H](CNC(=O)[C@@H]3CSC[NH2+]3)CCC[N@@H+]2C)cc1 ZINC000374460734 157298149 /nfs/dbraw/zinc/29/81/49/157298149.db2.gz IWOXIIDKQWEJET-BHYGNILZSA-N 2 1 349.500 1.857 20 0 EDADMP COc1ccc([C@@H]2[C@H](CNC(=O)[C@@H]3CSC[NH2+]3)CCC[N@H+]2C)cc1 ZINC000374460734 157298152 /nfs/dbraw/zinc/29/81/52/157298152.db2.gz IWOXIIDKQWEJET-BHYGNILZSA-N 2 1 349.500 1.857 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCOc3cc(OC)ccc3C2)CC1 ZINC000374775401 157395865 /nfs/dbraw/zinc/39/58/65/157395865.db2.gz JONXSRRGOCAWQT-OAHLLOKOSA-N 2 1 347.459 1.442 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC000374782285 157398714 /nfs/dbraw/zinc/39/87/14/157398714.db2.gz RTLZPRCWWWMJFW-SFHVURJKSA-N 2 1 333.451 1.997 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC000374782285 157398716 /nfs/dbraw/zinc/39/87/16/157398716.db2.gz RTLZPRCWWWMJFW-SFHVURJKSA-N 2 1 333.451 1.997 20 0 EDADMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000378123577 158084856 /nfs/dbraw/zinc/08/48/56/158084856.db2.gz ZLVZADDVLKMCIW-FUHWJXTLSA-N 2 1 347.507 1.828 20 0 EDADMP COCC[C@@]1(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC[NH2+]C1 ZINC000378203443 158108098 /nfs/dbraw/zinc/10/80/98/158108098.db2.gz RIOPEEIMFVDHJE-AEFFLSMTSA-N 2 1 325.497 1.773 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000378207567 158110094 /nfs/dbraw/zinc/11/00/94/158110094.db2.gz SOHUQZJGYXBACF-GUDVDZBRSA-N 2 1 344.503 1.609 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000378315967 158138324 /nfs/dbraw/zinc/13/83/24/158138324.db2.gz XFGYPMWEOXMIGV-GOSISDBHSA-N 2 1 347.459 1.303 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000378315967 158138326 /nfs/dbraw/zinc/13/83/26/158138326.db2.gz XFGYPMWEOXMIGV-GOSISDBHSA-N 2 1 347.459 1.303 20 0 EDADMP Cc1[nH+]c(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c2n1CCCC2 ZINC000378417597 158167774 /nfs/dbraw/zinc/16/77/74/158167774.db2.gz COLSDKMJDCGBMD-OAHLLOKOSA-N 2 1 349.479 1.174 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000352208718 162052065 /nfs/dbraw/zinc/05/20/65/162052065.db2.gz SFKDTKJNTABUIF-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP COC(=O)COc1c(C)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000357054567 162281518 /nfs/dbraw/zinc/28/15/18/162281518.db2.gz QLDYBOKWUVEGJA-IRXDYDNUSA-N 2 1 332.444 1.897 20 0 EDADMP CC[NH+]1CCN(CC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000073599636 287261750 /nfs/dbraw/zinc/26/17/50/287261750.db2.gz KRVASWZNDXOPJX-UHFFFAOYSA-N 2 1 344.503 1.358 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000073811102 287265198 /nfs/dbraw/zinc/26/51/98/287265198.db2.gz WWGPRDPKTAFEPA-SJLPKXTDSA-N 2 1 342.528 1.764 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc2nccnc2c1 ZINC000122930019 287384382 /nfs/dbraw/zinc/38/43/82/287384382.db2.gz KQNZRLDILVBXOY-UHFFFAOYSA-N 2 1 341.459 1.728 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc2nccnc2c1 ZINC000122930019 287384384 /nfs/dbraw/zinc/38/43/84/287384384.db2.gz KQNZRLDILVBXOY-UHFFFAOYSA-N 2 1 341.459 1.728 20 0 EDADMP O=C(CC1CC[NH2+]CC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000164740664 226095749 /nfs/dbraw/zinc/09/57/49/226095749.db2.gz XXEWYKUIRNODDP-UHFFFAOYSA-N 2 1 331.460 1.525 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000274493667 268150455 /nfs/dbraw/zinc/15/04/55/268150455.db2.gz OJRXAKWNVAGWLN-OALUTQOASA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000274493667 268150457 /nfs/dbraw/zinc/15/04/57/268150457.db2.gz OJRXAKWNVAGWLN-OALUTQOASA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000274493667 268150461 /nfs/dbraw/zinc/15/04/61/268150461.db2.gz OJRXAKWNVAGWLN-OALUTQOASA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000274493667 268150463 /nfs/dbraw/zinc/15/04/63/268150463.db2.gz OJRXAKWNVAGWLN-OALUTQOASA-N 2 1 345.487 1.876 20 0 EDADMP CCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275505574 268352400 /nfs/dbraw/zinc/35/24/00/268352400.db2.gz RRHLKDQIYDYYCA-UHFFFAOYSA-N 2 1 346.475 1.283 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275668689 273117912 /nfs/dbraw/zinc/11/79/12/273117912.db2.gz ORKUYOJVCVXIDV-MRXNPFEDSA-N 2 1 333.480 1.158 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C12CCC[NH+]1CCC2 ZINC000278509002 273264548 /nfs/dbraw/zinc/26/45/48/273264548.db2.gz AIVWPELYIZHSFM-UHFFFAOYSA-N 2 1 343.471 1.763 20 0 EDADMP CCOC(=O)[C@@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280636457 273380344 /nfs/dbraw/zinc/38/03/44/273380344.db2.gz ZEAXUTKXXGFDQJ-SCTDSRPQSA-N 2 1 332.444 1.364 20 0 EDADMP CCOC(=O)[C@@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280636457 273380346 /nfs/dbraw/zinc/38/03/46/273380346.db2.gz ZEAXUTKXXGFDQJ-SCTDSRPQSA-N 2 1 332.444 1.364 20 0 EDADMP CCOC(=O)[C@@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280636457 273380348 /nfs/dbraw/zinc/38/03/48/273380348.db2.gz ZEAXUTKXXGFDQJ-SCTDSRPQSA-N 2 1 332.444 1.364 20 0 EDADMP CCOC(=O)[C@@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280636457 273380350 /nfs/dbraw/zinc/38/03/50/273380350.db2.gz ZEAXUTKXXGFDQJ-SCTDSRPQSA-N 2 1 332.444 1.364 20 0 EDADMP COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414751274 274049040 /nfs/dbraw/zinc/04/90/40/274049040.db2.gz ABVQKBMBPGLPJU-ROUUACIJSA-N 2 1 333.476 1.373 20 0 EDADMP O=C1[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000359293447 275030539 /nfs/dbraw/zinc/03/05/39/275030539.db2.gz VDVCKMULLFLPOQ-SLEUVZQESA-N 2 1 339.361 1.962 20 0 EDADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000337289183 275660301 /nfs/dbraw/zinc/66/03/01/275660301.db2.gz LTDZTCVIRYUFEJ-RBSFLKMASA-N 2 1 339.459 1.863 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368454528 276063717 /nfs/dbraw/zinc/06/37/17/276063717.db2.gz SQOZZLMMHVMFGR-NJAFHUGGSA-N 2 1 331.460 1.659 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC000355332276 276218600 /nfs/dbraw/zinc/21/86/00/276218600.db2.gz BBSVLSLJHDMVPI-WDSOQIARSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000355332276 276218602 /nfs/dbraw/zinc/21/86/02/276218602.db2.gz BBSVLSLJHDMVPI-WDSOQIARSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000355332276 276218603 /nfs/dbraw/zinc/21/86/03/276218603.db2.gz BBSVLSLJHDMVPI-WDSOQIARSA-N 2 1 349.519 1.963 20 0 EDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(N2CCOCC2)CCCOC1 ZINC000371946193 276809070 /nfs/dbraw/zinc/80/90/70/276809070.db2.gz FYDSFSANKQQRLV-GOSISDBHSA-N 2 1 334.464 1.119 20 0 EDADMP COC(=O)[C@@H]1CCC[NH+](CC(C)C[N@@H+]2CCC[C@@H](C(=O)OC)C2)C1 ZINC000247187927 277085575 /nfs/dbraw/zinc/08/55/75/277085575.db2.gz SQJOXAAOJQSMMK-HZPDHXFCSA-N 2 1 340.464 1.393 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@@H]3CCCCO3)CC2)CC1 ZINC000347465305 277088684 /nfs/dbraw/zinc/08/86/84/277088684.db2.gz NUJPIARUGHMBGW-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP CC(=O)Oc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000374801039 277094089 /nfs/dbraw/zinc/09/40/89/277094089.db2.gz MRCYLYDPVIGBTL-UHFFFAOYSA-N 2 1 348.443 1.271 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](C[C@H]3CC4(CCC4)C(=O)O3)C2)CC1 ZINC000248882520 277110819 /nfs/dbraw/zinc/11/08/19/277110819.db2.gz PVKLVXBLXAPWQV-IAGOWNOFSA-N 2 1 335.492 1.574 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C[C@H]3CC4(CCC4)C(=O)O3)C2)CC1 ZINC000248882520 277110821 /nfs/dbraw/zinc/11/08/21/277110821.db2.gz PVKLVXBLXAPWQV-IAGOWNOFSA-N 2 1 335.492 1.574 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(S(C)(=O)=O)CC2)[C@H]2CCC[C@@H]21 ZINC000367638875 277170268 /nfs/dbraw/zinc/17/02/68/277170268.db2.gz RKPKODYERAUXSM-PMPSAXMXSA-N 2 1 329.510 1.120 20 0 EDADMP CN1CC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccc(F)cc1 ZINC000377684030 277170495 /nfs/dbraw/zinc/17/04/95/277170495.db2.gz VTNRRNQTEIXGOS-PKOBYXMFSA-N 2 1 348.466 1.325 20 0 EDADMP C[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000340504076 277171766 /nfs/dbraw/zinc/17/17/66/277171766.db2.gz GOAZLZYOKQKJPG-WOZUAGRISA-N 2 1 343.515 1.868 20 0 EDADMP C[NH+]1CC[C@H](NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000340504076 277171768 /nfs/dbraw/zinc/17/17/68/277171768.db2.gz GOAZLZYOKQKJPG-WOZUAGRISA-N 2 1 343.515 1.868 20 0 EDADMP C[NH+]1CC[C@H](NC[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000340504076 277171769 /nfs/dbraw/zinc/17/17/69/277171769.db2.gz GOAZLZYOKQKJPG-WOZUAGRISA-N 2 1 343.515 1.868 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000340504076 277171770 /nfs/dbraw/zinc/17/17/70/277171770.db2.gz GOAZLZYOKQKJPG-WOZUAGRISA-N 2 1 343.515 1.868 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000340504076 277171771 /nfs/dbraw/zinc/17/17/71/277171771.db2.gz GOAZLZYOKQKJPG-WOZUAGRISA-N 2 1 343.515 1.868 20 0 EDADMP COCC[NH2+]CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418108494 277230053 /nfs/dbraw/zinc/23/00/53/277230053.db2.gz RQESZGJUHMDTDF-KRWDZBQOSA-N 2 1 334.464 1.044 20 0 EDADMP CC(C)C[N@@H+]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000363250582 277389298 /nfs/dbraw/zinc/38/92/98/277389298.db2.gz PSZURUUGTGNQQK-QGZVFWFLSA-N 2 1 340.512 1.328 20 0 EDADMP CC(C)C[N@H+]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000363250582 277389299 /nfs/dbraw/zinc/38/92/99/277389299.db2.gz PSZURUUGTGNQQK-QGZVFWFLSA-N 2 1 340.512 1.328 20 0 EDADMP CC(C)C[C@H](CNC(=O)NCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000078987288 277484485 /nfs/dbraw/zinc/48/44/85/277484485.db2.gz NMQMILBOSUXCPI-QGZVFWFLSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[NH+]1CCSCC1 ZINC000132430397 278143517 /nfs/dbraw/zinc/14/35/17/278143517.db2.gz MLSTYMGLOGOFTJ-HZPDHXFCSA-N 2 1 325.522 1.758 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cccnc1C ZINC000286504333 288021831 /nfs/dbraw/zinc/02/18/31/288021831.db2.gz RLUMBLXCEPGLAV-SFHVURJKSA-N 2 1 332.492 1.807 20 0 EDADMP C[C@]1(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCC[NH2+]C1 ZINC000237577199 278557429 /nfs/dbraw/zinc/55/74/29/278557429.db2.gz UUXMNCMECRYUCV-IBGZPJMESA-N 2 1 331.460 1.525 20 0 EDADMP C[C@@]1(C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CCC[NH2+]C1 ZINC000423348693 279163026 /nfs/dbraw/zinc/16/30/26/279163026.db2.gz UJUGKYJBTYQNDW-DLBZAZTESA-N 2 1 337.489 1.691 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000377194327 279233288 /nfs/dbraw/zinc/23/32/88/279233288.db2.gz AELSRYCWRZNWRN-IEZWGBDMSA-N 2 1 344.503 1.607 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000377194327 279233291 /nfs/dbraw/zinc/23/32/91/279233291.db2.gz AELSRYCWRZNWRN-IEZWGBDMSA-N 2 1 344.503 1.607 20 0 EDADMP CC[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C)C)[C@H]1c1ccccc1 ZINC000347440968 279393373 /nfs/dbraw/zinc/39/33/73/279393373.db2.gz AWWHJEQQTOIDIB-IEBWSBKVSA-N 2 1 333.476 1.905 20 0 EDADMP CC[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C)C)[C@H]1c1ccccc1 ZINC000347440968 279393377 /nfs/dbraw/zinc/39/33/77/279393377.db2.gz AWWHJEQQTOIDIB-IEBWSBKVSA-N 2 1 333.476 1.905 20 0 EDADMP CC[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C(C)C)[C@H]1c1ccccc1 ZINC000347440968 279393382 /nfs/dbraw/zinc/39/33/82/279393382.db2.gz AWWHJEQQTOIDIB-IEBWSBKVSA-N 2 1 333.476 1.905 20 0 EDADMP CC[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H]1c1ccccc1 ZINC000347440968 279393385 /nfs/dbraw/zinc/39/33/85/279393385.db2.gz AWWHJEQQTOIDIB-IEBWSBKVSA-N 2 1 333.476 1.905 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339547858 288129162 /nfs/dbraw/zinc/12/91/62/288129162.db2.gz VOVRBHZETIOGGA-QGPMSJSTSA-N 2 1 334.508 1.842 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000287033298 288142197 /nfs/dbraw/zinc/14/21/97/288142197.db2.gz IBFLAXPVMCPTEW-UONOGXRCSA-N 2 1 340.493 1.059 20 0 EDADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000376684391 280114955 /nfs/dbraw/zinc/11/49/55/280114955.db2.gz BANRQEIONBKYMI-DZGCQCFKSA-N 2 1 334.468 1.254 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000287665818 288289667 /nfs/dbraw/zinc/28/96/67/288289667.db2.gz VNDRSXLAKGFTQH-LSDHHAIUSA-N 2 1 327.428 1.889 20 0 EDADMP COCC[C@H](C)[NH2+]C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354931006 292674167 /nfs/dbraw/zinc/67/41/67/292674167.db2.gz ZRSDTHMBMVXDJK-BFHYXJOUSA-N 2 1 325.432 1.474 20 0 EDADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000334107034 289036913 /nfs/dbraw/zinc/03/69/13/289036913.db2.gz YSPIRIQWSLWMGY-RHSMWYFYSA-N 2 1 338.496 1.100 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000291872541 289202463 /nfs/dbraw/zinc/20/24/63/289202463.db2.gz IMSPHGANCSOMEV-QUCCMNQESA-N 2 1 344.503 1.897 20 0 EDADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000292039164 289246120 /nfs/dbraw/zinc/24/61/20/289246120.db2.gz AIVICYGGPYBZCF-LJQANCHMSA-N 2 1 327.428 1.700 20 0 EDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000292039164 289246122 /nfs/dbraw/zinc/24/61/22/289246122.db2.gz AIVICYGGPYBZCF-LJQANCHMSA-N 2 1 327.428 1.700 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000292039164 289246124 /nfs/dbraw/zinc/24/61/24/289246124.db2.gz AIVICYGGPYBZCF-LJQANCHMSA-N 2 1 327.428 1.700 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000292039164 289246128 /nfs/dbraw/zinc/24/61/28/289246128.db2.gz AIVICYGGPYBZCF-LJQANCHMSA-N 2 1 327.428 1.700 20 0 EDADMP C[C@H](c1ccc(NC(=O)CCOC2C[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000349001718 290234698 /nfs/dbraw/zinc/23/46/98/290234698.db2.gz OVEBTHRZFATGBB-CQSZACIVSA-N 2 1 333.432 1.397 20 0 EDADMP NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000120971379 295076003 /nfs/dbraw/zinc/07/60/03/295076003.db2.gz USDMDQSXFBAXDW-HNNXBMFYSA-N 2 1 340.468 1.769 20 0 EDADMP NC(=O)NC(=O)OCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000120971379 295076004 /nfs/dbraw/zinc/07/60/04/295076004.db2.gz USDMDQSXFBAXDW-HNNXBMFYSA-N 2 1 340.468 1.769 20 0 EDADMP C[N@@H+](CCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)Cc1ccccc1 ZINC000414751061 447320487 /nfs/dbraw/zinc/32/04/87/447320487.db2.gz ZMHYPZGFEPJEAW-UHFFFAOYSA-N 2 1 340.427 1.332 20 0 EDADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424179476 303008495 /nfs/dbraw/zinc/00/84/95/303008495.db2.gz TVCLRGFAPAVLQF-DLBZAZTESA-N 2 1 347.507 1.971 20 0 EDADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295364139 303209380 /nfs/dbraw/zinc/20/93/80/303209380.db2.gz SBSZZKNBYLXNAG-YOEHRIQHSA-N 2 1 325.416 1.966 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000295499916 303226987 /nfs/dbraw/zinc/22/69/87/303226987.db2.gz YIXBTTYGTHNBRQ-AWEZNQCLSA-N 2 1 347.459 1.542 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)[NH2+]C3CC3)C2)cc(OC)c1 ZINC000295727532 303258502 /nfs/dbraw/zinc/25/85/02/303258502.db2.gz NYDAPEUHHTYSQU-CZUORRHYSA-N 2 1 347.459 1.535 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C)[NH2+]C3CC3)C2)cc(OC)c1 ZINC000295727532 303258504 /nfs/dbraw/zinc/25/85/04/303258504.db2.gz NYDAPEUHHTYSQU-CZUORRHYSA-N 2 1 347.459 1.535 20 0 EDADMP COC[C@@]1(C)CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000296875095 303344080 /nfs/dbraw/zinc/34/40/80/303344080.db2.gz UUCJWDSUOUMGOE-MJGOQNOKSA-N 2 1 333.476 1.764 20 0 EDADMP Cc1cccc2nc(CNC(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)cn21 ZINC000297069756 303359078 /nfs/dbraw/zinc/35/90/78/303359078.db2.gz CQEDYOXCLHLMMD-OAHLLOKOSA-N 2 1 345.447 1.289 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000417024713 303368703 /nfs/dbraw/zinc/36/87/03/303368703.db2.gz MLWYXCJJRPHOAH-CQSZACIVSA-N 2 1 326.391 1.717 20 0 EDADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414866129 447335198 /nfs/dbraw/zinc/33/51/98/447335198.db2.gz DWRQPWZHMDLPEY-INIZCTEOSA-N 2 1 330.432 1.027 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414866129 447335209 /nfs/dbraw/zinc/33/52/09/447335209.db2.gz DWRQPWZHMDLPEY-INIZCTEOSA-N 2 1 330.432 1.027 20 0 EDADMP CCOCCNC(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377764485 447343376 /nfs/dbraw/zinc/34/33/76/447343376.db2.gz RXVYHBQCHKXSKZ-MOPGFXCFSA-N 2 1 345.487 1.593 20 0 EDADMP CCOCCNC(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377764882 447343954 /nfs/dbraw/zinc/34/39/54/447343954.db2.gz RXVYHBQCHKXSKZ-RBUKOAKNSA-N 2 1 345.487 1.593 20 0 EDADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422707337 304879073 /nfs/dbraw/zinc/87/90/73/304879073.db2.gz WGZJUNCEWYBKQE-OFQRWUPVSA-N 2 1 339.505 1.976 20 0 EDADMP CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000423111898 304886908 /nfs/dbraw/zinc/88/69/08/304886908.db2.gz RGCMYVNADSUOMV-DDHJBXDOSA-N 2 1 325.482 1.794 20 0 EDADMP COc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1Br ZINC000423411703 304894694 /nfs/dbraw/zinc/89/46/94/304894694.db2.gz VCYVSFOYQYDEGE-NDMJEZRESA-N 2 1 329.238 1.689 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CCC([N@H+](C)C[C@@H](C)O)CC2)CC1 ZINC000427891664 305000534 /nfs/dbraw/zinc/00/05/34/305000534.db2.gz GFDSSJQENYKJIC-OAHLLOKOSA-N 2 1 325.497 1.410 20 0 EDADMP O=C(C[N@H+]1CCOC[C@H](C2CCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000429007392 305022374 /nfs/dbraw/zinc/02/23/74/305022374.db2.gz JTQKGTRCASSPBQ-MRXNPFEDSA-N 2 1 335.492 1.478 20 0 EDADMP C[C@@H]1CC[C@H]([N@@H+](CCO)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000429777920 305037040 /nfs/dbraw/zinc/03/70/40/305037040.db2.gz XPEPVNQUXFDISA-NZSAHSFTSA-N 2 1 347.503 1.888 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000430597067 305057793 /nfs/dbraw/zinc/05/77/93/305057793.db2.gz YLUUIWQIIGYJJZ-HOCLYGCPSA-N 2 1 334.464 1.706 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000430597067 305057794 /nfs/dbraw/zinc/05/77/94/305057794.db2.gz YLUUIWQIIGYJJZ-HOCLYGCPSA-N 2 1 334.464 1.706 20 0 EDADMP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430657760 305061664 /nfs/dbraw/zinc/06/16/64/305061664.db2.gz WOLOEOOVVOVHME-OCCSQVGLSA-N 2 1 333.436 1.152 20 0 EDADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430657760 305061665 /nfs/dbraw/zinc/06/16/65/305061665.db2.gz WOLOEOOVVOVHME-OCCSQVGLSA-N 2 1 333.436 1.152 20 0 EDADMP CC(C)[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000430701329 305062791 /nfs/dbraw/zinc/06/27/91/305062791.db2.gz DLCCNDNURCZYDE-OALUTQOASA-N 2 1 345.487 1.564 20 0 EDADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000430933017 305068879 /nfs/dbraw/zinc/06/88/79/305068879.db2.gz IKUGXPKZLSVPLX-UHFFFAOYSA-N 2 1 341.358 1.878 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433374996 305106719 /nfs/dbraw/zinc/10/67/19/305106719.db2.gz KGYAOMXEPIMSSD-XHSDSOJGSA-N 2 1 348.495 1.300 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[NH+]1C1CC1 ZINC000433413860 305108493 /nfs/dbraw/zinc/10/84/93/305108493.db2.gz VHAYUXADLPCSEO-XHSDSOJGSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[NH+]1C1CC1 ZINC000433413860 305108494 /nfs/dbraw/zinc/10/84/94/305108494.db2.gz VHAYUXADLPCSEO-XHSDSOJGSA-N 2 1 338.496 1.412 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433927482 305114849 /nfs/dbraw/zinc/11/48/49/305114849.db2.gz SBAFIFPROFEVAR-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433927482 305114850 /nfs/dbraw/zinc/11/48/50/305114850.db2.gz SBAFIFPROFEVAR-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433927482 305114851 /nfs/dbraw/zinc/11/48/51/305114851.db2.gz SBAFIFPROFEVAR-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](CCOC)CC1 ZINC000433968029 305116017 /nfs/dbraw/zinc/11/60/17/305116017.db2.gz OYHZMWFGMVOPEC-IRXDYDNUSA-N 2 1 336.480 1.824 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000434455425 305122966 /nfs/dbraw/zinc/12/29/66/305122966.db2.gz ZDDZYRVCBJOSSL-KRWDZBQOSA-N 2 1 330.476 1.704 20 0 EDADMP C[N@H+](Cc1ccccc1OCC(=O)N1CCCC1)C1CC[NH2+]CC1 ZINC000435383438 305139608 /nfs/dbraw/zinc/13/96/08/305139608.db2.gz IMYNIEYZCBAFRJ-UHFFFAOYSA-N 2 1 331.460 1.872 20 0 EDADMP C[N@@H+](Cc1ccccc1OCC(=O)N1CCCC1)C1CC[NH2+]CC1 ZINC000435383438 305139609 /nfs/dbraw/zinc/13/96/09/305139609.db2.gz IMYNIEYZCBAFRJ-UHFFFAOYSA-N 2 1 331.460 1.872 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435437946 305140372 /nfs/dbraw/zinc/14/03/72/305140372.db2.gz NECULQNHIRIWPJ-MRXNPFEDSA-N 2 1 349.475 1.784 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1C ZINC000435565476 305142666 /nfs/dbraw/zinc/14/26/66/305142666.db2.gz SJPCEGORLHLJFN-UONOGXRCSA-N 2 1 336.484 1.500 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1C ZINC000435565476 305142667 /nfs/dbraw/zinc/14/26/67/305142667.db2.gz SJPCEGORLHLJFN-UONOGXRCSA-N 2 1 336.484 1.500 20 0 EDADMP CC[N@H+](CCNS(=O)(=O)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435630857 305144089 /nfs/dbraw/zinc/14/40/89/305144089.db2.gz ZAIDNTPMZBNGQO-HNNXBMFYSA-N 2 1 325.478 1.429 20 0 EDADMP CC[N@@H+](CCNS(=O)(=O)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435630857 305144090 /nfs/dbraw/zinc/14/40/90/305144090.db2.gz ZAIDNTPMZBNGQO-HNNXBMFYSA-N 2 1 325.478 1.429 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000436481907 305158561 /nfs/dbraw/zinc/15/85/61/305158561.db2.gz FSGYVYYYLUCHRA-OALUTQOASA-N 2 1 346.519 1.678 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CC[C@@H]3CCOC3)c2)C1 ZINC000438193831 305182890 /nfs/dbraw/zinc/18/28/90/305182890.db2.gz XPEGJAVCXDFFEY-VQIMIIECSA-N 2 1 345.487 1.900 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCC(=O)N2CCC[C@H]2C)CC1 ZINC000438721489 305188626 /nfs/dbraw/zinc/18/86/26/305188626.db2.gz JKFSIBAWDBYHEW-CVEARBPZSA-N 2 1 325.497 1.412 20 0 EDADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000439396408 305197085 /nfs/dbraw/zinc/19/70/85/305197085.db2.gz NUXMCKCBWJLKMV-HNNXBMFYSA-N 2 1 332.448 1.097 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000443068809 305234425 /nfs/dbraw/zinc/23/44/25/305234425.db2.gz IMWKTPXUWXQEMA-MRXNPFEDSA-N 2 1 332.448 1.463 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000444348186 305246490 /nfs/dbraw/zinc/24/64/90/305246490.db2.gz BBIKDZYIWLKCRJ-FZKCQIBNSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000444348186 305246491 /nfs/dbraw/zinc/24/64/91/305246491.db2.gz BBIKDZYIWLKCRJ-FZKCQIBNSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000444348186 305246492 /nfs/dbraw/zinc/24/64/92/305246492.db2.gz BBIKDZYIWLKCRJ-FZKCQIBNSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000444369929 305247390 /nfs/dbraw/zinc/24/73/90/305247390.db2.gz WKPQJWSOLLQVEL-QFBILLFUSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000444369929 305247391 /nfs/dbraw/zinc/24/73/91/305247391.db2.gz WKPQJWSOLLQVEL-QFBILLFUSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000444369929 305247392 /nfs/dbraw/zinc/24/73/92/305247392.db2.gz WKPQJWSOLLQVEL-QFBILLFUSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000444369929 305247393 /nfs/dbraw/zinc/24/73/93/305247393.db2.gz WKPQJWSOLLQVEL-QFBILLFUSA-N 2 1 345.487 1.565 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)N1CC[NH+](C)CC1 ZINC000446575232 305267205 /nfs/dbraw/zinc/26/72/05/305267205.db2.gz IRTVTRDMMWKYFK-MRXNPFEDSA-N 2 1 339.528 1.042 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448252475 305294607 /nfs/dbraw/zinc/29/46/07/305294607.db2.gz PEXAPEURBNAHHE-HNNXBMFYSA-N 2 1 328.501 1.326 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CC1 ZINC000451631770 305357601 /nfs/dbraw/zinc/35/76/01/305357601.db2.gz WHLJHFZVCWMTPU-SJORKVTESA-N 2 1 335.492 1.432 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CC1 ZINC000451631770 305357602 /nfs/dbraw/zinc/35/76/02/305357602.db2.gz WHLJHFZVCWMTPU-SJORKVTESA-N 2 1 335.492 1.432 20 0 EDADMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452384776 305396149 /nfs/dbraw/zinc/39/61/49/305396149.db2.gz CGUKBHWNLRSJRP-ZWKOTPCHSA-N 2 1 333.476 1.122 20 0 EDADMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452384776 305396150 /nfs/dbraw/zinc/39/61/50/305396150.db2.gz CGUKBHWNLRSJRP-ZWKOTPCHSA-N 2 1 333.476 1.122 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414900716 447349679 /nfs/dbraw/zinc/34/96/79/447349679.db2.gz INADOUMWXPONOM-SFHVURJKSA-N 2 1 336.480 1.931 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414902520 447350686 /nfs/dbraw/zinc/35/06/86/447350686.db2.gz JVDOJHJNANZQAV-OAHLLOKOSA-N 2 1 332.448 1.274 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000414909848 447353750 /nfs/dbraw/zinc/35/37/50/447353750.db2.gz CNYIQXJKTOEHOG-INIZCTEOSA-N 2 1 332.448 1.287 20 0 EDADMP CCN1CCO[C@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000456333507 447363278 /nfs/dbraw/zinc/36/32/78/447363278.db2.gz LPDVNTGHKQIXMP-MJGOQNOKSA-N 2 1 345.487 1.688 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000456333507 447363283 /nfs/dbraw/zinc/36/32/83/447363283.db2.gz LPDVNTGHKQIXMP-MJGOQNOKSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000456333507 447363291 /nfs/dbraw/zinc/36/32/91/447363291.db2.gz LPDVNTGHKQIXMP-MJGOQNOKSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000456333507 447363297 /nfs/dbraw/zinc/36/32/97/447363297.db2.gz LPDVNTGHKQIXMP-MJGOQNOKSA-N 2 1 345.487 1.688 20 0 EDADMP CC(C)COc1ccccc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000449122704 447363650 /nfs/dbraw/zinc/36/36/50/447363650.db2.gz AEUIIYHVFIQNBR-UHFFFAOYSA-N 2 1 333.476 1.975 20 0 EDADMP CN(CCC[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000542722526 306057271 /nfs/dbraw/zinc/05/72/71/306057271.db2.gz HHULGSREHCTBCY-UHFFFAOYSA-N 2 1 348.491 1.612 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000545309252 306083995 /nfs/dbraw/zinc/08/39/95/306083995.db2.gz YXVBZKMFDIPNQV-KRWDZBQOSA-N 2 1 337.508 1.822 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccc(CO)o2)cc[nH+]1 ZINC000547696370 306108725 /nfs/dbraw/zinc/10/87/25/306108725.db2.gz RYYOFSNBWDOYPW-STQMWFEESA-N 2 1 349.410 1.335 20 0 EDADMP COc1ccc(O)cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000547702452 306109120 /nfs/dbraw/zinc/10/91/20/306109120.db2.gz QBDIGQKNLRTAEN-UHFFFAOYSA-N 2 1 342.399 1.800 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000551196689 306156496 /nfs/dbraw/zinc/15/64/96/306156496.db2.gz FXUYOWGBGSCGRF-WFASDCNBSA-N 2 1 346.456 1.582 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000554568162 306195528 /nfs/dbraw/zinc/19/55/28/306195528.db2.gz YBIFURGZMLRJTM-JZXOWHBKSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000554568162 306195529 /nfs/dbraw/zinc/19/55/29/306195529.db2.gz YBIFURGZMLRJTM-JZXOWHBKSA-N 2 1 348.491 1.525 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000377832375 447375365 /nfs/dbraw/zinc/37/53/65/447375365.db2.gz RHXSFVZZUFVNSN-ROUUACIJSA-N 2 1 330.476 1.313 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000377832375 447375368 /nfs/dbraw/zinc/37/53/68/447375368.db2.gz RHXSFVZZUFVNSN-ROUUACIJSA-N 2 1 330.476 1.313 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCOCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000377885363 447385383 /nfs/dbraw/zinc/38/53/83/447385383.db2.gz SHFMOFATMABBJL-HOTGVXAUSA-N 2 1 341.496 1.944 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCOCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000377885363 447385387 /nfs/dbraw/zinc/38/53/87/447385387.db2.gz SHFMOFATMABBJL-HOTGVXAUSA-N 2 1 341.496 1.944 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000377885363 447385391 /nfs/dbraw/zinc/38/53/91/447385391.db2.gz SHFMOFATMABBJL-HOTGVXAUSA-N 2 1 341.496 1.944 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)C(C)C ZINC000458529361 447401928 /nfs/dbraw/zinc/40/19/28/447401928.db2.gz ZBLULYQIZKFAAU-QGZVFWFLSA-N 2 1 342.528 1.641 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000458541231 447405664 /nfs/dbraw/zinc/40/56/64/447405664.db2.gz SBCRASDUGVCQGX-SJORKVTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000458541231 447405673 /nfs/dbraw/zinc/40/56/73/447405673.db2.gz SBCRASDUGVCQGX-SJORKVTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000458541231 447405682 /nfs/dbraw/zinc/40/56/82/447405682.db2.gz SBCRASDUGVCQGX-SJORKVTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000458576439 447418094 /nfs/dbraw/zinc/41/80/94/447418094.db2.gz PHRACKVMBUIDTK-DLBZAZTESA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(CCO)C[C@@H]1C ZINC000458576439 447418083 /nfs/dbraw/zinc/41/80/83/447418083.db2.gz PHRACKVMBUIDTK-DLBZAZTESA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000458576439 447418085 /nfs/dbraw/zinc/41/80/85/447418085.db2.gz PHRACKVMBUIDTK-DLBZAZTESA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000458576439 447418090 /nfs/dbraw/zinc/41/80/90/447418090.db2.gz PHRACKVMBUIDTK-DLBZAZTESA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000458576439 447418099 /nfs/dbraw/zinc/41/80/99/447418099.db2.gz PHRACKVMBUIDTK-DLBZAZTESA-N 2 1 340.512 1.205 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000070039715 441108232 /nfs/dbraw/zinc/10/82/32/441108232.db2.gz DEHDENJJHIDFPY-LJQANCHMSA-N 2 1 345.487 1.811 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000105102639 441233781 /nfs/dbraw/zinc/23/37/81/441233781.db2.gz LQKAGYDQWQRFTK-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])c2C1 ZINC000415436674 447438331 /nfs/dbraw/zinc/43/83/31/447438331.db2.gz BRIXUACMYZXIDP-CZUORRHYSA-N 2 1 344.459 1.594 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])c2C1 ZINC000415436674 447438332 /nfs/dbraw/zinc/43/83/32/447438332.db2.gz BRIXUACMYZXIDP-CZUORRHYSA-N 2 1 344.459 1.594 20 0 EDADMP CCCC[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000061757892 441287886 /nfs/dbraw/zinc/28/78/86/441287886.db2.gz YNVBFOGROODNEB-UHFFFAOYSA-N 2 1 325.497 1.870 20 0 EDADMP CCCC[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000061757892 441287893 /nfs/dbraw/zinc/28/78/93/441287893.db2.gz YNVBFOGROODNEB-UHFFFAOYSA-N 2 1 325.497 1.870 20 0 EDADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COCc2ccccc2OC)CC1 ZINC000106388397 441335842 /nfs/dbraw/zinc/33/58/42/441335842.db2.gz DBAHKEHTTCZQMJ-SFHVURJKSA-N 2 1 336.476 1.989 20 0 EDADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COCc2ccccc2OC)CC1 ZINC000106388397 441335846 /nfs/dbraw/zinc/33/58/46/441335846.db2.gz DBAHKEHTTCZQMJ-SFHVURJKSA-N 2 1 336.476 1.989 20 0 EDADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000081635378 441297903 /nfs/dbraw/zinc/29/79/03/441297903.db2.gz WZZUIAMRJQDRDB-OAHLLOKOSA-N 2 1 336.480 1.371 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000081635378 441297908 /nfs/dbraw/zinc/29/79/08/441297908.db2.gz WZZUIAMRJQDRDB-OAHLLOKOSA-N 2 1 336.480 1.371 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000081635378 441297912 /nfs/dbraw/zinc/29/79/12/441297912.db2.gz WZZUIAMRJQDRDB-OAHLLOKOSA-N 2 1 336.480 1.371 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000081635378 441297916 /nfs/dbraw/zinc/29/79/16/441297916.db2.gz WZZUIAMRJQDRDB-OAHLLOKOSA-N 2 1 336.480 1.371 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000063178357 441316357 /nfs/dbraw/zinc/31/63/57/441316357.db2.gz OXTRYCZHIKCETM-CYBMUJFWSA-N 2 1 340.265 1.736 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000085358755 441433960 /nfs/dbraw/zinc/43/39/60/441433960.db2.gz CEHDNGFJPFAIQO-HZPDHXFCSA-N 2 1 342.528 1.619 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H](O)C2)CC1 ZINC000051204259 441403500 /nfs/dbraw/zinc/40/35/00/441403500.db2.gz JZDVUIBYGUQQKV-IBGZPJMESA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H](O)C2)CC1 ZINC000051204259 441403504 /nfs/dbraw/zinc/40/35/04/441403504.db2.gz JZDVUIBYGUQQKV-IBGZPJMESA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000051204259 441403508 /nfs/dbraw/zinc/40/35/08/441403508.db2.gz JZDVUIBYGUQQKV-IBGZPJMESA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC1 ZINC000051204259 441403510 /nfs/dbraw/zinc/40/35/10/441403510.db2.gz JZDVUIBYGUQQKV-IBGZPJMESA-N 2 1 345.487 1.486 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCCCC2)C1 ZINC000052867164 441482553 /nfs/dbraw/zinc/48/25/53/441482553.db2.gz SWYOACMJRVUJJX-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C2CCCCC2)C1 ZINC000052867164 441482559 /nfs/dbraw/zinc/48/25/59/441482559.db2.gz SWYOACMJRVUJJX-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C2CCCCC2)C1 ZINC000052867164 441482562 /nfs/dbraw/zinc/48/25/62/441482562.db2.gz SWYOACMJRVUJJX-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cncnc3)c2)C1 ZINC000108420716 441452207 /nfs/dbraw/zinc/45/22/07/441452207.db2.gz AJGGEUPMOUSKSH-SFHVURJKSA-N 2 1 339.443 1.464 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cncnc3)c2)C1 ZINC000108420716 441452210 /nfs/dbraw/zinc/45/22/10/441452210.db2.gz AJGGEUPMOUSKSH-SFHVURJKSA-N 2 1 339.443 1.464 20 0 EDADMP Cc1n[nH]cc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420896 441452615 /nfs/dbraw/zinc/45/26/15/441452615.db2.gz FTGAZRRTVVJHHH-KRWDZBQOSA-N 2 1 341.459 1.705 20 0 EDADMP CC[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000113285968 441597874 /nfs/dbraw/zinc/59/78/74/441597874.db2.gz KLWIAEYCQHPSHN-HOTGVXAUSA-N 2 1 333.542 1.710 20 0 EDADMP CC[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000113285968 441597877 /nfs/dbraw/zinc/59/78/77/441597877.db2.gz KLWIAEYCQHPSHN-HOTGVXAUSA-N 2 1 333.542 1.710 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090527630 441632739 /nfs/dbraw/zinc/63/27/39/441632739.db2.gz PERBKUFZPRAALK-BRWVUGGUSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090527630 441632742 /nfs/dbraw/zinc/63/27/42/441632742.db2.gz PERBKUFZPRAALK-BRWVUGGUSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CN1CCOCC1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000091510395 441709984 /nfs/dbraw/zinc/70/99/84/441709984.db2.gz RWBMQHMXQMFASX-OKZBNKHCSA-N 2 1 339.524 1.528 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@@H]21 ZINC000158502560 441741693 /nfs/dbraw/zinc/74/16/93/441741693.db2.gz AWVWCYFABKFQDB-QAPCUYQASA-N 3 1 334.508 1.146 20 0 EDADMP CCNC(=O)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158877551 441770597 /nfs/dbraw/zinc/77/05/97/441770597.db2.gz FHXNPRMQVOGFAQ-OAHLLOKOSA-N 2 1 338.496 1.809 20 0 EDADMP CCNC(=O)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158877551 441770604 /nfs/dbraw/zinc/77/06/04/441770604.db2.gz FHXNPRMQVOGFAQ-OAHLLOKOSA-N 2 1 338.496 1.809 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)cn2)CC1 ZINC000092072983 441772202 /nfs/dbraw/zinc/77/22/02/441772202.db2.gz ZWTVSCAYBXAVLH-INIZCTEOSA-N 2 1 341.463 1.331 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](c4ncc[nH]4)C3)cn2)CC1 ZINC000092072983 441772210 /nfs/dbraw/zinc/77/22/10/441772210.db2.gz ZWTVSCAYBXAVLH-INIZCTEOSA-N 2 1 341.463 1.331 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000115784213 441776929 /nfs/dbraw/zinc/77/69/29/441776929.db2.gz HUIDTGYJYRFDFR-NVXWUHKLSA-N 2 1 340.512 1.517 20 0 EDADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000142867610 441866989 /nfs/dbraw/zinc/86/69/89/441866989.db2.gz IEAYITUMPFYSMB-UHFFFAOYSA-N 3 1 348.535 1.537 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1C ZINC000123056780 441873587 /nfs/dbraw/zinc/87/35/87/441873587.db2.gz WNWAPVKRUAZNAS-ZIAGYGMSSA-N 2 1 341.477 1.127 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1C ZINC000123056780 441873590 /nfs/dbraw/zinc/87/35/90/441873590.db2.gz WNWAPVKRUAZNAS-ZIAGYGMSSA-N 2 1 341.477 1.127 20 0 EDADMP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123056780 441873594 /nfs/dbraw/zinc/87/35/94/441873594.db2.gz WNWAPVKRUAZNAS-ZIAGYGMSSA-N 2 1 341.477 1.127 20 0 EDADMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123056780 441873596 /nfs/dbraw/zinc/87/35/96/441873596.db2.gz WNWAPVKRUAZNAS-ZIAGYGMSSA-N 2 1 341.477 1.127 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000174601451 441942359 /nfs/dbraw/zinc/94/23/59/441942359.db2.gz NZFWVPNVXVREIR-ZWKOTPCHSA-N 2 1 333.476 1.386 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000174601451 441942361 /nfs/dbraw/zinc/94/23/61/441942361.db2.gz NZFWVPNVXVREIR-ZWKOTPCHSA-N 2 1 333.476 1.386 20 0 EDADMP CC(C)CO[C@H]1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000119792598 441952991 /nfs/dbraw/zinc/95/29/91/441952991.db2.gz SIJYWYPVYYRYDL-SFHVURJKSA-N 2 1 349.475 1.671 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000078987243 442003991 /nfs/dbraw/zinc/00/39/91/442003991.db2.gz XRPISVOWTMEKRO-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP CC1CC[NH+](CCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000079124654 442022263 /nfs/dbraw/zinc/02/22/63/442022263.db2.gz ADVDMNHYASCLRK-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+]C(C)(C)C3)cc2F)CC1 ZINC000175412267 442057745 /nfs/dbraw/zinc/05/77/45/442057745.db2.gz UDDSKUKHUHMEJD-UHFFFAOYSA-N 2 1 348.466 1.792 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175720708 442112105 /nfs/dbraw/zinc/11/21/05/442112105.db2.gz RMADCCBAKUMJEX-HNNXBMFYSA-N 2 1 327.517 1.042 20 0 EDADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000162681913 442114398 /nfs/dbraw/zinc/11/43/98/442114398.db2.gz AACBASGKFQHLSI-RNIPGJKVSA-N 2 1 345.487 1.780 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000162806396 442123543 /nfs/dbraw/zinc/12/35/43/442123543.db2.gz HNKPIKNKYAONTP-ZWKOTPCHSA-N 2 1 333.476 1.911 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000162806396 442123548 /nfs/dbraw/zinc/12/35/48/442123548.db2.gz HNKPIKNKYAONTP-ZWKOTPCHSA-N 2 1 333.476 1.911 20 0 EDADMP C[NH+]1CCN(C(=O)CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1 ZINC000120887176 442147406 /nfs/dbraw/zinc/14/74/06/442147406.db2.gz BARCCMBTKVWNEV-SFHVURJKSA-N 2 1 349.450 1.581 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCN1CCOC(C)(C)C1 ZINC000176062886 442169492 /nfs/dbraw/zinc/16/94/92/442169492.db2.gz FNEIOFRXDAAXJO-CABCVRRESA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000176287787 442205395 /nfs/dbraw/zinc/20/53/95/442205395.db2.gz HOJYTTRFZCJUQG-PMPSAXMXSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000176044773 442165272 /nfs/dbraw/zinc/16/52/72/442165272.db2.gz NQVDLQXOWOMAPX-BBWFWOEESA-N 2 1 325.497 1.628 20 0 EDADMP CC[C@@H]1CN(C(=O)c2cccn2C2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000168065562 442222858 /nfs/dbraw/zinc/22/28/58/442222858.db2.gz HWMZMUYEAYAKDR-MRXNPFEDSA-N 2 1 348.491 1.595 20 0 EDADMP CC[C@@H]1CN(C(=O)c2cccn2C2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000168065562 442222861 /nfs/dbraw/zinc/22/28/61/442222861.db2.gz HWMZMUYEAYAKDR-MRXNPFEDSA-N 2 1 348.491 1.595 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000176626731 442242004 /nfs/dbraw/zinc/24/20/04/442242004.db2.gz AJJWLRGJWAUJBG-WBVHZDCISA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H]1CCC[N@H+]1C1CCN(C[C@H](O)COC2CCOCC2)CC1 ZINC000153245532 442270211 /nfs/dbraw/zinc/27/02/11/442270211.db2.gz OEMKXNMICLFBFI-RDJZCZTQSA-N 2 1 326.481 1.492 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCC3CC[NH+](C)CC3)cc2C1 ZINC000129162806 442304206 /nfs/dbraw/zinc/30/42/06/442304206.db2.gz KLJFLISDRRQTHX-UHFFFAOYSA-N 2 1 330.432 1.029 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCC3CC[NH+](C)CC3)cc2C1 ZINC000129162806 442304208 /nfs/dbraw/zinc/30/42/08/442304208.db2.gz KLJFLISDRRQTHX-UHFFFAOYSA-N 2 1 330.432 1.029 20 0 EDADMP C[C@@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000129623819 442325710 /nfs/dbraw/zinc/32/57/10/442325710.db2.gz TYFJHYTWDGAMHH-ZACQAIPSSA-N 2 1 338.540 1.638 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000171196252 442326133 /nfs/dbraw/zinc/32/61/33/442326133.db2.gz SPDRLYQEWJIPLI-UHFFFAOYSA-N 2 1 348.491 1.312 20 0 EDADMP COCC[NH+](C)CCNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000171196252 442326135 /nfs/dbraw/zinc/32/61/35/442326135.db2.gz SPDRLYQEWJIPLI-UHFFFAOYSA-N 2 1 348.491 1.312 20 0 EDADMP COCC[NH+](C)CCNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000171196252 442326136 /nfs/dbraw/zinc/32/61/36/442326136.db2.gz SPDRLYQEWJIPLI-UHFFFAOYSA-N 2 1 348.491 1.312 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000131376873 442371429 /nfs/dbraw/zinc/37/14/29/442371429.db2.gz WGVICJCJIGNRQD-GOSISDBHSA-N 2 1 333.476 1.715 20 0 EDADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000132396641 442392660 /nfs/dbraw/zinc/39/26/60/442392660.db2.gz QLMFOZXKYYASEF-JKSUJKDBSA-N 2 1 341.496 1.678 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132979211 442403717 /nfs/dbraw/zinc/40/37/17/442403717.db2.gz DNFVXHKPRZWJOF-GOSISDBHSA-N 2 1 333.476 1.688 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132979211 442403721 /nfs/dbraw/zinc/40/37/21/442403721.db2.gz DNFVXHKPRZWJOF-GOSISDBHSA-N 2 1 333.476 1.688 20 0 EDADMP C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000154896762 442363147 /nfs/dbraw/zinc/36/31/47/442363147.db2.gz MXIWUBGMUMOJLD-MSOLQXFVSA-N 2 1 348.535 1.914 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000133402085 442416200 /nfs/dbraw/zinc/41/62/00/442416200.db2.gz OADDAUDCXVTCCG-IYBDPMFKSA-N 2 1 348.491 1.657 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172413751 442457002 /nfs/dbraw/zinc/45/70/02/442457002.db2.gz SQKHDBXYQUFWMA-SFHVURJKSA-N 2 1 337.508 1.966 20 0 EDADMP C[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000156609195 442500806 /nfs/dbraw/zinc/50/08/06/442500806.db2.gz NMMIIVIKSRFTLR-INIZCTEOSA-N 2 1 348.491 1.516 20 0 EDADMP C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)CC1CC[NH2+]CC1 ZINC000178966356 442540148 /nfs/dbraw/zinc/54/01/48/442540148.db2.gz KFWHUAANYIALQS-UHFFFAOYSA-N 2 1 340.489 1.790 20 0 EDADMP CN(C(=O)CC[NH+]1CCC([N@H+](C)CCCO)CC1)c1ccccc1 ZINC000135082236 442553643 /nfs/dbraw/zinc/55/36/43/442553643.db2.gz HIBUQTHDEUMVRY-UHFFFAOYSA-N 2 1 333.476 1.818 20 0 EDADMP CN(C(=O)CC[NH+]1CCC([N@@H+](C)CCCO)CC1)c1ccccc1 ZINC000135082236 442553645 /nfs/dbraw/zinc/55/36/45/442553645.db2.gz HIBUQTHDEUMVRY-UHFFFAOYSA-N 2 1 333.476 1.818 20 0 EDADMP O=C(C[C@H]1CCC[NH2+]1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000178875880 442511422 /nfs/dbraw/zinc/51/14/22/442511422.db2.gz BQJBCIVFUFSOHX-MRXNPFEDSA-N 2 1 334.439 1.206 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000178890450 442516398 /nfs/dbraw/zinc/51/63/98/442516398.db2.gz UOCDHXGQLDHLJG-AEFFLSMTSA-N 2 1 330.476 1.455 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000179039295 442557948 /nfs/dbraw/zinc/55/79/48/442557948.db2.gz UKJVZXXERVWBIN-QGZVFWFLSA-N 2 1 334.464 1.543 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000179039295 442557952 /nfs/dbraw/zinc/55/79/52/442557952.db2.gz UKJVZXXERVWBIN-QGZVFWFLSA-N 2 1 334.464 1.543 20 0 EDADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3C[N@H+](C)CCO3)c2)CC1 ZINC000172739787 442530401 /nfs/dbraw/zinc/53/04/01/442530401.db2.gz PPWPVCBWEKEORS-LJQANCHMSA-N 2 1 345.487 1.865 20 0 EDADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC000172739787 442530407 /nfs/dbraw/zinc/53/04/07/442530407.db2.gz PPWPVCBWEKEORS-LJQANCHMSA-N 2 1 345.487 1.865 20 0 EDADMP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134891837 442532892 /nfs/dbraw/zinc/53/28/92/442532892.db2.gz GKWPXOGSOPENST-WNHJNPCNSA-N 2 1 338.492 1.492 20 0 EDADMP O[C@H](COC[C@@H]1CCCO1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134891837 442532894 /nfs/dbraw/zinc/53/28/94/442532894.db2.gz GKWPXOGSOPENST-WNHJNPCNSA-N 2 1 338.492 1.492 20 0 EDADMP O[C@H](COC[C@@H]1CCCO1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134891837 442532898 /nfs/dbraw/zinc/53/28/98/442532898.db2.gz GKWPXOGSOPENST-WNHJNPCNSA-N 2 1 338.492 1.492 20 0 EDADMP OCC[NH+]1CCC(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000187975569 442701263 /nfs/dbraw/zinc/70/12/63/442701263.db2.gz GPPXOKVOKAXSCW-KRWDZBQOSA-N 2 1 332.423 1.932 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C12CCCCC2 ZINC000181687334 442709640 /nfs/dbraw/zinc/70/96/40/442709640.db2.gz FARAVITZFZFOTE-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000246508871 442787761 /nfs/dbraw/zinc/78/77/61/442787761.db2.gz WYPSUQSXXIPAIJ-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000246508871 442787767 /nfs/dbraw/zinc/78/77/67/442787767.db2.gz WYPSUQSXXIPAIJ-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[N@H+]1CCc2ccccc2C1 ZINC000188747755 442802368 /nfs/dbraw/zinc/80/23/68/442802368.db2.gz SGABINWXZGEANB-ZDUSSCGKSA-N 2 1 339.443 1.232 20 0 EDADMP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000246699224 442805574 /nfs/dbraw/zinc/80/55/74/442805574.db2.gz YBOAODPBVGVHFP-SJORKVTESA-N 2 1 325.497 1.726 20 0 EDADMP CCCCCNC(=O)[C@@H](C)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246699224 442805577 /nfs/dbraw/zinc/80/55/77/442805577.db2.gz YBOAODPBVGVHFP-SJORKVTESA-N 2 1 325.497 1.726 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000188506562 442757716 /nfs/dbraw/zinc/75/77/16/442757716.db2.gz DBBBPXNQZMRZQH-MRXNPFEDSA-N 2 1 328.501 1.326 20 0 EDADMP COC(=O)c1ccccc1OCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182377444 442761296 /nfs/dbraw/zinc/76/12/96/442761296.db2.gz FOGRHTBNWLRZIO-UHFFFAOYSA-N 2 1 349.475 1.421 20 0 EDADMP Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)c(OCC[NH+](C)C)c1 ZINC000182798204 442827006 /nfs/dbraw/zinc/82/70/06/442827006.db2.gz ZYLBIFBBDXZOQS-INIZCTEOSA-N 2 1 348.491 1.510 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247136353 442836768 /nfs/dbraw/zinc/83/67/68/442836768.db2.gz SPCGUFCZLPBBBH-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000248564531 442900004 /nfs/dbraw/zinc/90/00/04/442900004.db2.gz OHFIISGLCUAYCF-MSOLQXFVSA-N 2 1 331.460 1.344 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000248564531 442900007 /nfs/dbraw/zinc/90/00/07/442900007.db2.gz OHFIISGLCUAYCF-MSOLQXFVSA-N 2 1 331.460 1.344 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000248564531 442900012 /nfs/dbraw/zinc/90/00/12/442900012.db2.gz OHFIISGLCUAYCF-MSOLQXFVSA-N 2 1 331.460 1.344 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000248564531 442900014 /nfs/dbraw/zinc/90/00/14/442900014.db2.gz OHFIISGLCUAYCF-MSOLQXFVSA-N 2 1 331.460 1.344 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)[nH+]c1 ZINC000268168302 442881280 /nfs/dbraw/zinc/88/12/80/442881280.db2.gz ZFVQBQOUIKSIJK-HOCLYGCPSA-N 2 1 331.464 1.974 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)[nH+]c1 ZINC000268168302 442881285 /nfs/dbraw/zinc/88/12/85/442881285.db2.gz ZFVQBQOUIKSIJK-HOCLYGCPSA-N 2 1 331.464 1.974 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734307 442944874 /nfs/dbraw/zinc/94/48/74/442944874.db2.gz JWVAPRQKVFYOKO-OAHLLOKOSA-N 2 1 338.496 1.665 20 0 EDADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265898875 442962197 /nfs/dbraw/zinc/96/21/97/442962197.db2.gz MZLMMWSHWOEUSB-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265898875 442962202 /nfs/dbraw/zinc/96/22/02/442962202.db2.gz MZLMMWSHWOEUSB-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265898875 442962208 /nfs/dbraw/zinc/96/22/08/442962208.db2.gz MZLMMWSHWOEUSB-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265898875 442962211 /nfs/dbraw/zinc/96/22/11/442962211.db2.gz MZLMMWSHWOEUSB-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP C[C@@H](NS(=O)(=O)CC[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189809826 443015398 /nfs/dbraw/zinc/01/53/98/443015398.db2.gz GNCOOZDMWNZHGE-CVEARBPZSA-N 2 1 343.537 1.655 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000251723158 443017016 /nfs/dbraw/zinc/01/70/16/443017016.db2.gz LXFLDFZYBPIIEM-RDJZCZTQSA-N 2 1 340.512 1.205 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000251723158 443017022 /nfs/dbraw/zinc/01/70/22/443017022.db2.gz LXFLDFZYBPIIEM-RDJZCZTQSA-N 2 1 340.512 1.205 20 0 EDADMP COc1coc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1=O ZINC000268549225 443031018 /nfs/dbraw/zinc/03/10/18/443031018.db2.gz MWCSCUJSGMABNI-UHFFFAOYSA-N 2 1 336.432 1.725 20 0 EDADMP C[C@H]1CN(C)CCN1C(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261735083 443166483 /nfs/dbraw/zinc/16/64/83/443166483.db2.gz LFWKKPQHSDHZTA-XHDPSFHLSA-N 2 1 340.265 1.786 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262331983 443190045 /nfs/dbraw/zinc/19/00/45/443190045.db2.gz SICAXBJODVLMSF-IXDOHACOSA-N 2 1 347.507 1.444 20 0 EDADMP C[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190839670 443193365 /nfs/dbraw/zinc/19/33/65/443193365.db2.gz OHLFWQVPOOVSKI-KRWDZBQOSA-N 2 1 334.464 1.138 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000268928977 443149560 /nfs/dbraw/zinc/14/95/60/443149560.db2.gz SFVYVMOQIWAQPZ-UHFFFAOYSA-N 2 1 330.476 1.409 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)cc2F)CC1 ZINC000236994409 443154568 /nfs/dbraw/zinc/15/45/68/443154568.db2.gz MHCPMRLJJNAITA-GOEBONIOSA-N 2 1 348.466 1.919 20 0 EDADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237152054 443161154 /nfs/dbraw/zinc/16/11/54/443161154.db2.gz KOBVABNJRMLYNY-QGZVFWFLSA-N 2 1 346.475 1.135 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000262500623 443198600 /nfs/dbraw/zinc/19/86/00/443198600.db2.gz GTUKNURFGWODBV-QAETUUGQSA-N 2 1 325.497 1.578 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397453199 319134664 /nfs/dbraw/zinc/13/46/64/319134664.db2.gz PYOYQUIHPRDADJ-LVQVYYBASA-N 2 1 341.496 1.941 20 0 EDADMP [NH3+]CCCn1ccc2cc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)ccc21 ZINC000269267146 443258433 /nfs/dbraw/zinc/25/84/33/443258433.db2.gz PQGJONJBNZERRV-KRWDZBQOSA-N 2 1 326.444 1.910 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(OC)c1 ZINC000415128861 319347014 /nfs/dbraw/zinc/34/70/14/319347014.db2.gz OKDYQMLNQYMAJN-OAHLLOKOSA-N 2 1 331.420 1.591 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415213228 319351976 /nfs/dbraw/zinc/35/19/76/319351976.db2.gz NPDJSOVQASAVNY-INIZCTEOSA-N 2 1 346.475 1.725 20 0 EDADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2C1 ZINC000415336275 319361282 /nfs/dbraw/zinc/36/12/82/319361282.db2.gz VJVUXUCKMKSIJI-HIFRSBDPSA-N 2 1 344.459 1.463 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000415937586 319383694 /nfs/dbraw/zinc/38/36/94/319383694.db2.gz XXCBPPOKSMXRLA-UHFFFAOYSA-N 2 1 347.507 1.944 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000191360252 443284627 /nfs/dbraw/zinc/28/46/27/443284627.db2.gz KCEAEILYJSCYQI-XHSDSOJGSA-N 2 1 325.497 1.722 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000191498872 443303590 /nfs/dbraw/zinc/30/35/90/443303590.db2.gz QGUALGBFKHAQGB-AWEZNQCLSA-N 2 1 337.468 1.780 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000191498872 443303594 /nfs/dbraw/zinc/30/35/94/443303594.db2.gz QGUALGBFKHAQGB-AWEZNQCLSA-N 2 1 337.468 1.780 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)[NH+]1CCOCC1 ZINC000416946123 319482251 /nfs/dbraw/zinc/48/22/51/319482251.db2.gz XCCSHLXWUZOPJI-CHWSQXEVSA-N 2 1 336.427 1.015 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000264791622 443426877 /nfs/dbraw/zinc/42/68/77/443426877.db2.gz CVODPKPYDTVCSA-UHFFFAOYSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+](CCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C1CC1 ZINC000264791622 443426881 /nfs/dbraw/zinc/42/68/81/443426881.db2.gz CVODPKPYDTVCSA-UHFFFAOYSA-N 2 1 330.476 1.998 20 0 EDADMP C[NH+](CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C1CC1 ZINC000264791622 443426885 /nfs/dbraw/zinc/42/68/85/443426885.db2.gz CVODPKPYDTVCSA-UHFFFAOYSA-N 2 1 330.476 1.998 20 0 EDADMP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCN(C)CC1 ZINC000422737859 319735968 /nfs/dbraw/zinc/73/59/68/319735968.db2.gz IQNLFCOQYLMOBB-YVWKXTFCSA-N 2 1 344.503 1.468 20 0 EDADMP C[C@]1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000272958565 443502168 /nfs/dbraw/zinc/50/21/68/443502168.db2.gz FNKZFSXKVSJCCB-HKUYNNGSSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@]1(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000272958565 443502173 /nfs/dbraw/zinc/50/21/73/443502173.db2.gz FNKZFSXKVSJCCB-HKUYNNGSSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H](CCCC[NH3+])[NH2+]Cc1nn(C)cc1I ZINC000423168487 319754632 /nfs/dbraw/zinc/75/46/32/319754632.db2.gz YBTZJZTTWRNZKG-SECBINFHSA-N 2 1 336.221 1.632 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC000265006454 443507412 /nfs/dbraw/zinc/50/74/12/443507412.db2.gz YLRWUOXPSDEUAU-MRXNPFEDSA-N 2 1 325.403 1.949 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265078398 443525745 /nfs/dbraw/zinc/52/57/45/443525745.db2.gz JDPRFNWPOZJWPC-UHFFFAOYSA-N 2 1 344.419 1.052 20 0 EDADMP C[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C(=O)NCc1ccccc1 ZINC000425904725 319875335 /nfs/dbraw/zinc/87/53/35/319875335.db2.gz ZWMUNCWJBMCARA-CQSZACIVSA-N 2 1 342.443 1.936 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2n(n1)CCC2 ZINC000448855786 320162018 /nfs/dbraw/zinc/16/20/18/320162018.db2.gz ZVBBOIJXFYGYSN-MRXNPFEDSA-N 2 1 333.480 1.317 20 0 EDADMP CCO[C@@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000449497765 320192713 /nfs/dbraw/zinc/19/27/13/320192713.db2.gz ROZWUNGAELEGNE-NVXWUHKLSA-N 2 1 333.480 1.475 20 0 EDADMP CCO[C@@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000449497765 320192714 /nfs/dbraw/zinc/19/27/14/320192714.db2.gz ROZWUNGAELEGNE-NVXWUHKLSA-N 2 1 333.480 1.475 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c([nH]1)CCOC2 ZINC000457511843 320329062 /nfs/dbraw/zinc/32/90/62/320329062.db2.gz ALYZXLKZQCIDGD-MRXNPFEDSA-N 2 1 348.491 1.576 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+]1CCC[C@@H](C)C1 ZINC000457706477 320332672 /nfs/dbraw/zinc/33/26/72/320332672.db2.gz LOTQHFSUWFWCNA-IKGGRYGDSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@@H+]1CCC[C@@H](C)C1 ZINC000457706477 320332673 /nfs/dbraw/zinc/33/26/73/320332673.db2.gz LOTQHFSUWFWCNA-IKGGRYGDSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@H+]1CCC[C@@H](C)C1 ZINC000457706477 320332674 /nfs/dbraw/zinc/33/26/74/320332674.db2.gz LOTQHFSUWFWCNA-IKGGRYGDSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[C@H]2CCC[NH+](C)C2)CCCO1 ZINC000458711507 320339195 /nfs/dbraw/zinc/33/91/95/320339195.db2.gz FOYGQIWKYMZPNG-IAGOWNOFSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC000458711507 320339196 /nfs/dbraw/zinc/33/91/96/320339196.db2.gz FOYGQIWKYMZPNG-IAGOWNOFSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000458711507 320339197 /nfs/dbraw/zinc/33/91/97/320339197.db2.gz FOYGQIWKYMZPNG-IAGOWNOFSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCCC2)[C@H](C)C1 ZINC000458852794 320343119 /nfs/dbraw/zinc/34/31/19/320343119.db2.gz NYSJYZHXDXYFIM-SJORKVTESA-N 2 1 340.512 1.349 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000479370623 320355462 /nfs/dbraw/zinc/35/54/62/320355462.db2.gz DKSNVWMUYOASJK-ULQDDVLXSA-N 2 1 340.512 1.062 20 0 EDADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC000488375839 320357966 /nfs/dbraw/zinc/35/79/66/320357966.db2.gz RHRUNDWHCGAOSX-QXDIGNSFSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC000488375839 320357967 /nfs/dbraw/zinc/35/79/67/320357967.db2.gz RHRUNDWHCGAOSX-QXDIGNSFSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC000488375839 320357968 /nfs/dbraw/zinc/35/79/68/320357968.db2.gz RHRUNDWHCGAOSX-QXDIGNSFSA-N 2 1 334.508 1.985 20 0 EDADMP O[C@@H](Cn1cccn1)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280477038 443721483 /nfs/dbraw/zinc/72/14/83/443721483.db2.gz PIKQFNJESCNZGY-CEXWTWQISA-N 2 1 326.444 1.308 20 0 EDADMP O[C@@H](Cn1cccn1)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280477038 443721487 /nfs/dbraw/zinc/72/14/87/443721487.db2.gz PIKQFNJESCNZGY-CEXWTWQISA-N 2 1 326.444 1.308 20 0 EDADMP O[C@@H](Cn1cccn1)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280477038 443721492 /nfs/dbraw/zinc/72/14/92/443721492.db2.gz PIKQFNJESCNZGY-CEXWTWQISA-N 2 1 326.444 1.308 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)CCCC[NH3+])c2)CC1 ZINC000519767056 320473007 /nfs/dbraw/zinc/47/30/07/320473007.db2.gz DZEYXMWVBMZSKZ-UHFFFAOYSA-N 2 1 332.448 1.071 20 0 EDADMP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000276579902 443754089 /nfs/dbraw/zinc/75/40/89/443754089.db2.gz CFXATPBYZZYZMS-OAGGEKHMSA-N 2 1 337.851 1.316 20 0 EDADMP CC(C)[N@@H+](CCCN1CCN(c2ccccc2)CC1)CCOCCO ZINC000285303226 443934845 /nfs/dbraw/zinc/93/48/45/443934845.db2.gz MCSDJEYJDBBPHJ-UHFFFAOYSA-N 2 1 349.519 1.918 20 0 EDADMP O=C1CCC(=O)N1CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285446131 443987729 /nfs/dbraw/zinc/98/77/29/443987729.db2.gz FZPWHSHGDCCJHN-FQEVSTJZSA-N 2 1 341.455 1.733 20 0 EDADMP O=C1CCC(=O)N1CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285446131 443987733 /nfs/dbraw/zinc/98/77/33/443987733.db2.gz FZPWHSHGDCCJHN-FQEVSTJZSA-N 2 1 341.455 1.733 20 0 EDADMP O=C1CCC(=O)N1CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285446131 443987736 /nfs/dbraw/zinc/98/77/36/443987736.db2.gz FZPWHSHGDCCJHN-FQEVSTJZSA-N 2 1 341.455 1.733 20 0 EDADMP O=C1CCC(=O)N1CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285446131 443987740 /nfs/dbraw/zinc/98/77/40/443987740.db2.gz FZPWHSHGDCCJHN-FQEVSTJZSA-N 2 1 341.455 1.733 20 0 EDADMP C[C@H](C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C[NH+](C)C ZINC000293346697 443990283 /nfs/dbraw/zinc/99/02/83/443990283.db2.gz GUHCIQVVKADQQC-ZIAGYGMSSA-N 2 1 327.494 1.785 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277305629 443958788 /nfs/dbraw/zinc/95/87/88/443958788.db2.gz UJTHCLCJEGTRCJ-ZWKOTPCHSA-N 2 1 349.475 1.801 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277305629 443958789 /nfs/dbraw/zinc/95/87/89/443958789.db2.gz UJTHCLCJEGTRCJ-ZWKOTPCHSA-N 2 1 349.475 1.801 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277305625 443958959 /nfs/dbraw/zinc/95/89/59/443958959.db2.gz UJTHCLCJEGTRCJ-ROUUACIJSA-N 2 1 349.475 1.801 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277305625 443958964 /nfs/dbraw/zinc/95/89/64/443958964.db2.gz UJTHCLCJEGTRCJ-ROUUACIJSA-N 2 1 349.475 1.801 20 0 EDADMP O=C1COc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc2N1 ZINC000293509554 444038934 /nfs/dbraw/zinc/03/89/34/444038934.db2.gz CCWBCMHQYQFZMG-HNNXBMFYSA-N 2 1 345.443 1.608 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000299455482 444051258 /nfs/dbraw/zinc/05/12/58/444051258.db2.gz AZIPMSSLYZLANZ-UHFFFAOYSA-N 2 1 341.459 1.939 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000299455482 444051264 /nfs/dbraw/zinc/05/12/64/444051264.db2.gz AZIPMSSLYZLANZ-UHFFFAOYSA-N 2 1 341.459 1.939 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+]Cc2cnc(C)n2C)c1 ZINC000563898332 321114985 /nfs/dbraw/zinc/11/49/85/321114985.db2.gz FHSXKGHJRHNDAP-UHFFFAOYSA-N 3 1 346.475 1.975 20 0 EDADMP COCC[N@H+](C)CCOc1cccc(CNCc2cnc(C)n2C)c1 ZINC000563898332 321114987 /nfs/dbraw/zinc/11/49/87/321114987.db2.gz FHSXKGHJRHNDAP-UHFFFAOYSA-N 3 1 346.475 1.975 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)NC3CCN(c4ccccn4)CC3)C2)C1 ZINC000564393695 321128651 /nfs/dbraw/zinc/12/86/51/321128651.db2.gz OQJCVQSUEVBUGP-IBGZPJMESA-N 2 1 343.475 1.788 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)Cn3ccnc3)CC2)CC1 ZINC000564736968 321144595 /nfs/dbraw/zinc/14/45/95/321144595.db2.gz QRTAKEAJGDTAQF-MRXNPFEDSA-N 2 1 347.507 1.584 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCO[C@@H](C)C3)CC2)CC1 ZINC000565192002 321176487 /nfs/dbraw/zinc/17/64/87/321176487.db2.gz MJRRVLISMRXGNF-RDJZCZTQSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000565941033 321207385 /nfs/dbraw/zinc/20/73/85/321207385.db2.gz LKRSXARDVNLEKG-HNNXBMFYSA-N 2 1 326.485 1.007 20 0 EDADMP Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)nc1 ZINC000566078152 321213534 /nfs/dbraw/zinc/21/35/34/321213534.db2.gz VFPOPLRGGYVYFZ-IXDOHACOSA-N 2 1 346.475 1.902 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CC3(O)CCCC3)c2)C1 ZINC000567692474 321253189 /nfs/dbraw/zinc/25/31/89/321253189.db2.gz UULWZXSSHQAZSW-SFHVURJKSA-N 2 1 345.487 1.779 20 0 EDADMP C[C@H](CNC[C@@H](O)C[N@@H+](C)C1CC1)c1nc(-c2ccccc2)no1 ZINC000567726079 321254649 /nfs/dbraw/zinc/25/46/49/321254649.db2.gz YASKEMIDOSRZGR-CZUORRHYSA-N 2 1 330.432 1.885 20 0 EDADMP C[C@H](C[NH2+]C[C@@H](O)CN(C)C1CC1)c1nc(-c2ccccc2)no1 ZINC000567726079 321254650 /nfs/dbraw/zinc/25/46/50/321254650.db2.gz YASKEMIDOSRZGR-CZUORRHYSA-N 2 1 330.432 1.885 20 0 EDADMP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1nc(-c2ccccc2)no1 ZINC000567726079 321254651 /nfs/dbraw/zinc/25/46/51/321254651.db2.gz YASKEMIDOSRZGR-CZUORRHYSA-N 2 1 330.432 1.885 20 0 EDADMP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1nc(-c2ccccc2)no1 ZINC000567726079 321254652 /nfs/dbraw/zinc/25/46/52/321254652.db2.gz YASKEMIDOSRZGR-CZUORRHYSA-N 2 1 330.432 1.885 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CCOC ZINC000567979916 321271004 /nfs/dbraw/zinc/27/10/04/321271004.db2.gz CBUSHYQMGHFYSB-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CCOC ZINC000567979916 321271006 /nfs/dbraw/zinc/27/10/06/321271006.db2.gz CBUSHYQMGHFYSB-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP C[N@H+](C[C@@H](O)CN[C@@H]1CCN(C(=O)CCc2ccccc2)C1)C1CC1 ZINC000568501434 321294331 /nfs/dbraw/zinc/29/43/31/321294331.db2.gz NHJJVGBCSRASML-MJGOQNOKSA-N 2 1 345.487 1.265 20 0 EDADMP C[N@@H+](C[C@@H](O)CN[C@@H]1CCN(C(=O)CCc2ccccc2)C1)C1CC1 ZINC000568501434 321294333 /nfs/dbraw/zinc/29/43/33/321294333.db2.gz NHJJVGBCSRASML-MJGOQNOKSA-N 2 1 345.487 1.265 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)C1CC1 ZINC000568501434 321294335 /nfs/dbraw/zinc/29/43/35/321294335.db2.gz NHJJVGBCSRASML-MJGOQNOKSA-N 2 1 345.487 1.265 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)C1CC1 ZINC000568501434 321294337 /nfs/dbraw/zinc/29/43/37/321294337.db2.gz NHJJVGBCSRASML-MJGOQNOKSA-N 2 1 345.487 1.265 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000568770193 321305962 /nfs/dbraw/zinc/30/59/62/321305962.db2.gz VNSCHZYXGMTFOE-QZTJIDSGSA-N 2 1 330.476 1.682 20 0 EDADMP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000571676924 321397107 /nfs/dbraw/zinc/39/71/07/321397107.db2.gz RJMWHBOKKPBBLC-GUYCJALGSA-N 2 1 325.416 1.535 20 0 EDADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000572012361 321410695 /nfs/dbraw/zinc/41/06/95/321410695.db2.gz WWPDFDBVYUBJNZ-CYBMUJFWSA-N 2 1 336.461 1.612 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCSC1 ZINC000294822896 444146729 /nfs/dbraw/zinc/14/67/29/444146729.db2.gz CSHFQNNXEFBPIB-INIZCTEOSA-N 2 1 331.445 1.434 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000285834880 444124397 /nfs/dbraw/zinc/12/43/97/444124397.db2.gz VQUYLGQRCDIINU-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP COC(=O)COC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000296238025 444214948 /nfs/dbraw/zinc/21/49/48/444214948.db2.gz CNQNLXZKEBEOKJ-MRXNPFEDSA-N 2 1 334.460 1.861 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(N2CCC[C@H](CO)C2)ncn1 ZINC000301464950 444173070 /nfs/dbraw/zinc/17/30/70/444173070.db2.gz PRBKSEBCDKDJGV-IRXDYDNUSA-N 2 1 347.507 1.996 20 0 EDADMP CCOC(=O)c1cnc2ccccc2c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000301682437 444185170 /nfs/dbraw/zinc/18/51/70/444185170.db2.gz VSKBDGBJBUGZCE-SJORKVTESA-N 2 1 341.411 1.931 20 0 EDADMP CCOC(=O)c1cnc2ccccc2c1N1C[C@@H]2[C@H](C1)OCCN2C ZINC000301682437 444185173 /nfs/dbraw/zinc/18/51/73/444185173.db2.gz VSKBDGBJBUGZCE-SJORKVTESA-N 2 1 341.411 1.931 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC000289729888 444196022 /nfs/dbraw/zinc/19/60/22/444196022.db2.gz LQJNFCOEAWKLHW-KRWDZBQOSA-N 2 1 337.489 1.787 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)C1CC1 ZINC000289788487 444203437 /nfs/dbraw/zinc/20/34/37/444203437.db2.gz LMZRNTNWUZVRIY-GOSISDBHSA-N 2 1 331.460 1.792 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)C1CC1 ZINC000289788487 444203439 /nfs/dbraw/zinc/20/34/39/444203439.db2.gz LMZRNTNWUZVRIY-GOSISDBHSA-N 2 1 331.460 1.792 20 0 EDADMP C[C@@H](C(=O)NCCCC[NH+]1CCC[C@@H]1CO)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000305695029 444273129 /nfs/dbraw/zinc/27/31/29/444273129.db2.gz DCIDHIZGGZVZNI-VVLHAWIVSA-N 2 1 325.497 1.601 20 0 EDADMP C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)[NH+]1[C@H](C)CC[C@@H]1C ZINC000305695029 444273131 /nfs/dbraw/zinc/27/31/31/444273131.db2.gz DCIDHIZGGZVZNI-VVLHAWIVSA-N 2 1 325.497 1.601 20 0 EDADMP C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)[NH+]1[C@H](C)CC[C@@H]1C ZINC000305695029 444273134 /nfs/dbraw/zinc/27/31/34/444273134.db2.gz DCIDHIZGGZVZNI-VVLHAWIVSA-N 2 1 325.497 1.601 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCCCCC2)CC1 ZINC000303346452 444236595 /nfs/dbraw/zinc/23/65/95/444236595.db2.gz ZXNMHPPQTNATMP-INIZCTEOSA-N 2 1 325.497 1.414 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000290100672 444242605 /nfs/dbraw/zinc/24/26/05/444242605.db2.gz WVNUBNPVEKKUBO-GOEBONIOSA-N 2 1 328.460 1.960 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000290100672 444242607 /nfs/dbraw/zinc/24/26/07/444242607.db2.gz WVNUBNPVEKKUBO-GOEBONIOSA-N 2 1 328.460 1.960 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000290100672 444242609 /nfs/dbraw/zinc/24/26/09/444242609.db2.gz WVNUBNPVEKKUBO-GOEBONIOSA-N 2 1 328.460 1.960 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000290100672 444242612 /nfs/dbraw/zinc/24/26/12/444242612.db2.gz WVNUBNPVEKKUBO-GOEBONIOSA-N 2 1 328.460 1.960 20 0 EDADMP CN(CCNC1CC[NH+](C2CC2)CC1)S(=O)(=O)c1cccs1 ZINC000297663632 444315316 /nfs/dbraw/zinc/31/53/16/444315316.db2.gz NZSUEUWGNCXDST-UHFFFAOYSA-N 2 1 343.518 1.585 20 0 EDADMP CN(CC[NH2+]C1CC[NH+](C2CC2)CC1)S(=O)(=O)c1cccs1 ZINC000297663632 444315318 /nfs/dbraw/zinc/31/53/18/444315318.db2.gz NZSUEUWGNCXDST-UHFFFAOYSA-N 2 1 343.518 1.585 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)CC2 ZINC000577956450 321699566 /nfs/dbraw/zinc/69/95/66/321699566.db2.gz CHAHRKKRUQXDIN-RDJZCZTQSA-N 2 1 334.464 1.323 20 0 EDADMP C[N@@H+](C[C@H](O)CNC[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000310505701 444291949 /nfs/dbraw/zinc/29/19/49/444291949.db2.gz JBPRIRIFNYCHPE-UYAOXDASSA-N 2 1 331.504 1.943 20 0 EDADMP C[NH+](C[C@H](O)CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000310505701 444291950 /nfs/dbraw/zinc/29/19/50/444291950.db2.gz JBPRIRIFNYCHPE-UYAOXDASSA-N 2 1 331.504 1.943 20 0 EDADMP C[NH+](C[C@H](O)CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000310505701 444291951 /nfs/dbraw/zinc/29/19/51/444291951.db2.gz JBPRIRIFNYCHPE-UYAOXDASSA-N 2 1 331.504 1.943 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCN3C(=O)c4ccccc4C3=O)C[C@H]21 ZINC000325693842 444367992 /nfs/dbraw/zinc/36/79/92/444367992.db2.gz RBFARYDBSXGLDF-KBRIMQKVSA-N 2 1 327.428 1.732 20 0 EDADMP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000580164785 322016422 /nfs/dbraw/zinc/01/64/22/322016422.db2.gz DHPUTAPAXSJKMT-FGTMMUONSA-N 2 1 349.519 1.916 20 0 EDADMP CCn1nc(C)c([C@H](C)NCc2n[nH]c(C3CC[NH2+]CC3)n2)c1C ZINC000580304783 322033695 /nfs/dbraw/zinc/03/36/95/322033695.db2.gz XWBMZHQMWXFTKM-NSHDSACASA-N 2 1 331.468 1.956 20 0 EDADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)Cn1cccn1 ZINC000581246086 322153887 /nfs/dbraw/zinc/15/38/87/322153887.db2.gz HVNQRNPYOSBKBF-MOPGFXCFSA-N 2 1 328.460 1.398 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000581983994 322240190 /nfs/dbraw/zinc/24/01/90/322240190.db2.gz KRCPBWFTSBKVJQ-LZQZEXGQSA-N 2 1 342.443 1.938 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000332862124 444576928 /nfs/dbraw/zinc/57/69/28/444576928.db2.gz QGBWZMWPSSIQSQ-HOCLYGCPSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@H+]1C ZINC000332862124 444576932 /nfs/dbraw/zinc/57/69/32/444576932.db2.gz QGBWZMWPSSIQSQ-HOCLYGCPSA-N 2 1 333.480 1.231 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1cccc(F)c1 ZINC000343775087 444581711 /nfs/dbraw/zinc/58/17/11/444581711.db2.gz DYNIGBDBSBYXKQ-UCMJJCQDSA-N 2 1 347.434 1.359 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000340863927 444549435 /nfs/dbraw/zinc/54/94/35/444549435.db2.gz WICPUYUSFZRHAN-NJAFHUGGSA-N 2 1 332.492 1.941 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC[N@H+]1C ZINC000341009052 444628171 /nfs/dbraw/zinc/62/81/71/444628171.db2.gz DTHOQFWYUAETAG-NXHRZFHOSA-N 2 1 332.492 1.941 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1C ZINC000332921151 444597325 /nfs/dbraw/zinc/59/73/25/444597325.db2.gz HEFHEYVEJBMRCE-YJBOKZPZSA-N 2 1 345.491 1.828 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000343859059 444632449 /nfs/dbraw/zinc/63/24/49/444632449.db2.gz FDGOVPIMANLSJE-OIISXLGYSA-N 2 1 347.459 1.294 20 0 EDADMP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000343831557 444616577 /nfs/dbraw/zinc/61/65/77/444616577.db2.gz YDPYPWCHYBLOSJ-CMKODMSKSA-N 2 1 346.471 1.897 20 0 EDADMP COC(=O)[C@](C)(O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000343831557 444616580 /nfs/dbraw/zinc/61/65/80/444616580.db2.gz YDPYPWCHYBLOSJ-CMKODMSKSA-N 2 1 346.471 1.897 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000343831557 444616585 /nfs/dbraw/zinc/61/65/85/444616585.db2.gz YDPYPWCHYBLOSJ-CMKODMSKSA-N 2 1 346.471 1.897 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000343831557 444616588 /nfs/dbraw/zinc/61/65/88/444616588.db2.gz YDPYPWCHYBLOSJ-CMKODMSKSA-N 2 1 346.471 1.897 20 0 EDADMP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338296545 444617429 /nfs/dbraw/zinc/61/74/29/444617429.db2.gz SODSWMPNQOUKJZ-GOSISDBHSA-N 2 1 344.503 1.751 20 0 EDADMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338296545 444617433 /nfs/dbraw/zinc/61/74/33/444617433.db2.gz SODSWMPNQOUKJZ-GOSISDBHSA-N 2 1 344.503 1.751 20 0 EDADMP C[C@]12CCC[N@@H+]1C[C@@H](c1noc([C@H]3CCn4ccnc4C3)n1)OC2 ZINC000329672541 444674189 /nfs/dbraw/zinc/67/41/89/444674189.db2.gz NNWFHAPLNJNLTM-GDZNZVCISA-N 2 1 329.404 1.922 20 0 EDADMP C[C@]12CCC[N@H+]1C[C@@H](c1noc([C@H]3CCn4ccnc4C3)n1)OC2 ZINC000329672541 444674193 /nfs/dbraw/zinc/67/41/93/444674193.db2.gz NNWFHAPLNJNLTM-GDZNZVCISA-N 2 1 329.404 1.922 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343867332 444635920 /nfs/dbraw/zinc/63/59/20/444635920.db2.gz JLNVNQQQDVTJSV-HNNXBMFYSA-N 2 1 343.393 1.961 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)CC[N@H+]1C ZINC000341188389 444718513 /nfs/dbraw/zinc/71/85/13/444718513.db2.gz DAIFKKQJGQBQHA-HOTGVXAUSA-N 2 1 333.480 1.638 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)[nH+]1 ZINC000342626211 444784957 /nfs/dbraw/zinc/78/49/57/444784957.db2.gz AKYYZVIGXHMMFC-INIZCTEOSA-N 2 1 343.475 1.895 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)[nH+]1 ZINC000342626211 444784959 /nfs/dbraw/zinc/78/49/59/444784959.db2.gz AKYYZVIGXHMMFC-INIZCTEOSA-N 2 1 343.475 1.895 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000342698370 444821331 /nfs/dbraw/zinc/82/13/31/444821331.db2.gz SXKGCMVBCNKTMU-NXOAAHMSSA-N 2 1 325.497 1.628 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000330084172 444838785 /nfs/dbraw/zinc/83/87/85/444838785.db2.gz KYMNYODHLXLISU-HOTGVXAUSA-N 2 1 331.464 1.384 20 0 EDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000344282745 444878495 /nfs/dbraw/zinc/87/84/95/444878495.db2.gz GECUWPRSKNBTJM-AWEZNQCLSA-N 2 1 337.489 1.849 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC[NH+](C)[C@@H]2C)C1 ZINC000344237792 444855821 /nfs/dbraw/zinc/85/58/21/444855821.db2.gz OPPBATQKGIRHQL-OAGGEKHMSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000344237792 444855824 /nfs/dbraw/zinc/85/58/24/444855824.db2.gz OPPBATQKGIRHQL-OAGGEKHMSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000344237792 444855829 /nfs/dbraw/zinc/85/58/29/444855829.db2.gz OPPBATQKGIRHQL-OAGGEKHMSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[N@H+]1C ZINC000344237059 444856383 /nfs/dbraw/zinc/85/63/83/444856383.db2.gz NVHHESUOQXFTSI-CVEARBPZSA-N 2 1 325.497 1.676 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000342943331 444955827 /nfs/dbraw/zinc/95/58/27/444955827.db2.gz PUBMOPHWSKVHRV-WBVHZDCISA-N 2 1 345.491 1.806 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000337322912 445033561 /nfs/dbraw/zinc/03/35/61/445033561.db2.gz RTUUFGBPTAWNBN-KRWDZBQOSA-N 2 1 343.537 1.054 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000337322912 445033566 /nfs/dbraw/zinc/03/35/66/445033566.db2.gz RTUUFGBPTAWNBN-KRWDZBQOSA-N 2 1 343.537 1.054 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000341918944 445071970 /nfs/dbraw/zinc/07/19/70/445071970.db2.gz GRMJILZQMHRBPB-NXHRZFHOSA-N 2 1 346.475 1.231 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000343126618 445081904 /nfs/dbraw/zinc/08/19/04/445081904.db2.gz CXXFIYJBOXRXIY-KZNAEPCWSA-N 2 1 336.524 1.251 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000337353675 445044777 /nfs/dbraw/zinc/04/47/77/445044777.db2.gz BXGABIIPRVEWAU-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000337353675 445044779 /nfs/dbraw/zinc/04/47/79/445044779.db2.gz BXGABIIPRVEWAU-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000337513449 445113590 /nfs/dbraw/zinc/11/35/90/445113590.db2.gz NXPPOAACWVMJRI-INIZCTEOSA-N 2 1 335.496 1.885 20 0 EDADMP Cc1cccc(OCCCNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342079964 445161053 /nfs/dbraw/zinc/16/10/53/445161053.db2.gz FKTDUTLEHAMLKL-WDSOQIARSA-N 2 1 345.487 1.939 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccco1 ZINC000343340686 445205348 /nfs/dbraw/zinc/20/53/48/445205348.db2.gz QDEZPGLWPSQDHA-CVEARBPZSA-N 2 1 334.464 1.169 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CCC[N@H+]1C ZINC000343424049 445219943 /nfs/dbraw/zinc/21/99/43/445219943.db2.gz CEEXTPOLPQZLPJ-BPQIPLTHSA-N 2 1 331.460 1.486 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)[C@H]([NH3+])CC(F)F)CCCCC2)CCO1 ZINC000345691487 445196247 /nfs/dbraw/zinc/19/62/47/445196247.db2.gz LRKVMQYSYNJPLP-CYBMUJFWSA-N 2 1 347.450 1.899 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)[N@@H+](C)C1 ZINC000347172466 445233526 /nfs/dbraw/zinc/23/35/26/445233526.db2.gz SZQYPRDGPPAGJC-QBPKDAKJSA-N 2 1 340.512 1.610 20 0 EDADMP Cn1nccc1[C@@H]1[C@H](CNC(=O)NCC[NH+](C)C2CC2)CCC[N@H+]1C ZINC000347445953 445238438 /nfs/dbraw/zinc/23/84/38/445238438.db2.gz GSLBOIFASUADDA-YOEHRIQHSA-N 2 1 348.495 1.196 20 0 EDADMP Cn1ccnc1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348102382 445269156 /nfs/dbraw/zinc/26/91/56/445269156.db2.gz NKJPXYNRTUGVCS-YESZJQIVSA-N 2 1 337.487 1.749 20 0 EDADMP Cn1ccnc1CN1C[C@@H](F)C[C@@H]1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348102382 445269159 /nfs/dbraw/zinc/26/91/59/445269159.db2.gz NKJPXYNRTUGVCS-YESZJQIVSA-N 2 1 337.487 1.749 20 0 EDADMP Cn1ccnc1CN1C[C@@H](F)C[C@@H]1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348102382 445269161 /nfs/dbraw/zinc/26/91/61/445269161.db2.gz NKJPXYNRTUGVCS-YESZJQIVSA-N 2 1 337.487 1.749 20 0 EDADMP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000348011586 445261081 /nfs/dbraw/zinc/26/10/81/445261081.db2.gz RVDDGZDNEOIOCX-OWCLPIDISA-N 2 1 341.521 1.135 20 0 EDADMP CSCC[N@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348188885 445310159 /nfs/dbraw/zinc/31/01/59/445310159.db2.gz YWZSCFBJKCFXRE-OLZOCXBDSA-N 2 1 327.473 1.754 20 0 EDADMP CSCC[N@@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348188885 445310163 /nfs/dbraw/zinc/31/01/63/445310163.db2.gz YWZSCFBJKCFXRE-OLZOCXBDSA-N 2 1 327.473 1.754 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351857508 445344896 /nfs/dbraw/zinc/34/48/96/445344896.db2.gz BWEXBAIAVZYKSN-FRRDWIJNSA-N 2 1 325.403 1.681 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351857508 445344898 /nfs/dbraw/zinc/34/48/98/445344898.db2.gz BWEXBAIAVZYKSN-FRRDWIJNSA-N 2 1 325.403 1.681 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000351862766 445346865 /nfs/dbraw/zinc/34/68/65/445346865.db2.gz QKMBMUBLCPYZHL-GOEBONIOSA-N 2 1 336.505 1.061 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000351862766 445346867 /nfs/dbraw/zinc/34/68/67/445346867.db2.gz QKMBMUBLCPYZHL-GOEBONIOSA-N 2 1 336.505 1.061 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)CC2 ZINC000351862130 445346895 /nfs/dbraw/zinc/34/68/95/445346895.db2.gz NKKKIMSORRSLJK-ZFWWWQNUSA-N 2 1 347.459 1.258 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)CC2 ZINC000351862130 445346896 /nfs/dbraw/zinc/34/68/96/445346896.db2.gz NKKKIMSORRSLJK-ZFWWWQNUSA-N 2 1 347.459 1.258 20 0 EDADMP Cn1c2ccc(C[N@@H+]3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc2oc1=O ZINC000351807864 445328609 /nfs/dbraw/zinc/32/86/09/445328609.db2.gz ISPDVAONAYPDMX-OIISXLGYSA-N 2 1 345.443 1.815 20 0 EDADMP Cn1c2ccc(C[N@H+]3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc2oc1=O ZINC000351807864 445328612 /nfs/dbraw/zinc/32/86/12/445328612.db2.gz ISPDVAONAYPDMX-OIISXLGYSA-N 2 1 345.443 1.815 20 0 EDADMP CCN(C)c1ccc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cn1 ZINC000359750091 445407769 /nfs/dbraw/zinc/40/77/69/445407769.db2.gz YMORTBZZUXJEIL-UHFFFAOYSA-N 2 1 347.507 1.570 20 0 EDADMP CCO[C@@H](C)c1nc(CN2CC[NH+](CCOCC[NH3+])CC2)cs1 ZINC000357078222 445411891 /nfs/dbraw/zinc/41/18/91/445411891.db2.gz BXWSGQRZLQJRDD-AWEZNQCLSA-N 2 1 342.509 1.334 20 0 EDADMP CC1(C)C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1[C@@H]1CCCO1 ZINC000351980463 445415103 /nfs/dbraw/zinc/41/51/03/445415103.db2.gz CGVLWBVRPBKLQO-WMZOPIPTSA-N 2 1 335.492 1.619 20 0 EDADMP CC1(C)C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1[C@@H]1CCCO1 ZINC000351980463 445415107 /nfs/dbraw/zinc/41/51/07/445415107.db2.gz CGVLWBVRPBKLQO-WMZOPIPTSA-N 2 1 335.492 1.619 20 0 EDADMP O=C(C[N@H+]1CCC[C@@]2(CCCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000355782650 445478040 /nfs/dbraw/zinc/47/80/40/445478040.db2.gz MGEFFVCAZLHZEG-LJQANCHMSA-N 2 1 335.492 1.622 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000362656840 445481722 /nfs/dbraw/zinc/48/17/22/445481722.db2.gz FDDFNPTXTACSID-HYVNUMGLSA-N 2 1 348.491 1.889 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000348986588 445465615 /nfs/dbraw/zinc/46/56/15/445465615.db2.gz CDCWGSORNWGPQP-MRXNPFEDSA-N 2 1 345.487 1.913 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000362718411 445516513 /nfs/dbraw/zinc/51/65/13/445516513.db2.gz XBFXZCZZARUJSB-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP OCCC[C@@H]1CCC[NH+]1CC1(C[N@@H+]2CCC[C@H]2CCCO)COC1 ZINC000359995060 445519301 /nfs/dbraw/zinc/51/93/01/445519301.db2.gz XMSIVOVSLXXOKW-ROUUACIJSA-N 2 1 340.508 1.477 20 0 EDADMP CN(C[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1)S(C)(=O)=O ZINC000352543959 445536944 /nfs/dbraw/zinc/53/69/44/445536944.db2.gz LSNIBNVHTIRIGJ-HOTGVXAUSA-N 2 1 331.526 1.464 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1)S(C)(=O)=O ZINC000352543959 445536949 /nfs/dbraw/zinc/53/69/49/445536949.db2.gz LSNIBNVHTIRIGJ-HOTGVXAUSA-N 2 1 331.526 1.464 20 0 EDADMP CN(C[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1)S(C)(=O)=O ZINC000352543959 445536953 /nfs/dbraw/zinc/53/69/53/445536953.db2.gz LSNIBNVHTIRIGJ-HOTGVXAUSA-N 2 1 331.526 1.464 20 0 EDADMP CN(C[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1)S(C)(=O)=O ZINC000352543959 445536957 /nfs/dbraw/zinc/53/69/57/445536957.db2.gz LSNIBNVHTIRIGJ-HOTGVXAUSA-N 2 1 331.526 1.464 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000357220877 445489825 /nfs/dbraw/zinc/48/98/25/445489825.db2.gz AFGHTFWJWUXXNE-YJBOKZPZSA-N 2 1 333.476 1.668 20 0 EDADMP [NH3+]C1CCN(CCCC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000357235692 445498192 /nfs/dbraw/zinc/49/81/92/445498192.db2.gz DMJUEPWBFLNQKU-SFHVURJKSA-N 2 1 330.476 1.193 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000360085047 445558208 /nfs/dbraw/zinc/55/82/08/445558208.db2.gz OBAJYNGRZGPCPS-TVFCKZIOSA-N 2 1 339.524 1.920 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000360085047 445558212 /nfs/dbraw/zinc/55/82/12/445558212.db2.gz OBAJYNGRZGPCPS-TVFCKZIOSA-N 2 1 339.524 1.920 20 0 EDADMP CC[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000352851111 445559333 /nfs/dbraw/zinc/55/93/33/445559333.db2.gz AFVNDWVCTUYDKL-MOPGFXCFSA-N 2 1 347.503 1.860 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000360169055 445608965 /nfs/dbraw/zinc/60/89/65/445608965.db2.gz CHCPLIVLAVXZHB-INIZCTEOSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000360169055 445608968 /nfs/dbraw/zinc/60/89/68/445608968.db2.gz CHCPLIVLAVXZHB-INIZCTEOSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000360169055 445608971 /nfs/dbraw/zinc/60/89/71/445608971.db2.gz CHCPLIVLAVXZHB-INIZCTEOSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1C[C@@H](OC)C[NH+]1C ZINC000358165733 445609420 /nfs/dbraw/zinc/60/94/20/445609420.db2.gz OMJHXJOYECRTIZ-HRCADAONSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000362943914 445620822 /nfs/dbraw/zinc/62/08/22/445620822.db2.gz KVLHJKZDJRUKCT-BVBHFADKSA-N 2 1 345.487 1.183 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000362943914 445620827 /nfs/dbraw/zinc/62/08/27/445620827.db2.gz KVLHJKZDJRUKCT-BVBHFADKSA-N 2 1 345.487 1.183 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358507000 445623292 /nfs/dbraw/zinc/62/32/92/445623292.db2.gz MLRQPOZBTYWMGR-IAGOWNOFSA-N 2 1 337.508 1.773 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000362985175 445638507 /nfs/dbraw/zinc/63/85/07/445638507.db2.gz AHYODWJFRPEZFG-YSHGAJCASA-N 2 1 345.487 1.183 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000362985175 445638509 /nfs/dbraw/zinc/63/85/09/445638509.db2.gz AHYODWJFRPEZFG-YSHGAJCASA-N 2 1 345.487 1.183 20 0 EDADMP CSC1(CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC[NH+](C)CC1 ZINC000357910708 445592883 /nfs/dbraw/zinc/59/28/83/445592883.db2.gz CGRYYXPPHPMXOH-CQSZACIVSA-N 2 1 340.537 1.763 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)Cc1ccccc1 ZINC000360154835 445597882 /nfs/dbraw/zinc/59/78/82/445597882.db2.gz JTAAQUWQMLBAGB-OALUTQOASA-N 2 1 347.503 1.776 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)Cc1ccccc1 ZINC000360154835 445597884 /nfs/dbraw/zinc/59/78/84/445597884.db2.gz JTAAQUWQMLBAGB-OALUTQOASA-N 2 1 347.503 1.776 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000360327887 445696302 /nfs/dbraw/zinc/69/63/02/445696302.db2.gz CLKMDZOITSUYRC-YOEHRIQHSA-N 2 1 344.459 1.475 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000360327887 445696307 /nfs/dbraw/zinc/69/63/07/445696307.db2.gz CLKMDZOITSUYRC-YOEHRIQHSA-N 2 1 344.459 1.475 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000349859064 445702169 /nfs/dbraw/zinc/70/21/69/445702169.db2.gz SXZBDZJQXLKQCM-OAHLLOKOSA-N 2 1 340.512 1.022 20 0 EDADMP CCC[N@@H+](C)CC(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000358601061 445668879 /nfs/dbraw/zinc/66/88/79/445668879.db2.gz YBLKUBRHLOXUMH-UHFFFAOYSA-N 2 1 339.402 1.441 20 0 EDADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000358601061 445668885 /nfs/dbraw/zinc/66/88/85/445668885.db2.gz YBLKUBRHLOXUMH-UHFFFAOYSA-N 2 1 339.402 1.441 20 0 EDADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358714987 445736643 /nfs/dbraw/zinc/73/66/43/445736643.db2.gz YLLPECXAFUSKKK-GOSISDBHSA-N 2 1 340.512 1.110 20 0 EDADMP Cc1nc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc(N(C)C)n1 ZINC000360876977 445737127 /nfs/dbraw/zinc/73/71/27/445737127.db2.gz MPDLLTLNCPVOCJ-XJKSGUPXSA-N 2 1 326.448 2.178 20 0 EDADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000360911835 445738924 /nfs/dbraw/zinc/73/89/24/445738924.db2.gz GRTRUIWJUSAPPF-NEWSRXKRSA-N 2 1 349.519 1.699 20 0 EDADMP C[C@H](CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1)[NH+](C)C1CC1 ZINC000361506142 445793726 /nfs/dbraw/zinc/79/37/26/445793726.db2.gz XYQRJNKNWKVHDH-OAHLLOKOSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](CNC(=O)N1CCC[NH+](C2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000361506142 445793729 /nfs/dbraw/zinc/79/37/29/445793729.db2.gz XYQRJNKNWKVHDH-OAHLLOKOSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](CNC(=O)N1CCC[NH+](C2CCOCC2)CC1)[N@@H+](C)C1CC1 ZINC000361506142 445793732 /nfs/dbraw/zinc/79/37/32/445793732.db2.gz XYQRJNKNWKVHDH-OAHLLOKOSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)CC2(C)C)C1 ZINC000350286299 445807182 /nfs/dbraw/zinc/80/71/82/445807182.db2.gz LPDLANKTHPSPSP-HZPDHXFCSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](C)CC2(C)C)C1 ZINC000350286299 445807185 /nfs/dbraw/zinc/80/71/85/445807185.db2.gz LPDLANKTHPSPSP-HZPDHXFCSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](C)CC2(C)C)C1 ZINC000350286299 445807187 /nfs/dbraw/zinc/80/71/87/445807187.db2.gz LPDLANKTHPSPSP-HZPDHXFCSA-N 2 1 325.497 1.580 20 0 EDADMP CC[NH+]1CCC([N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C2CC2)CC1 ZINC000363458948 445813952 /nfs/dbraw/zinc/81/39/52/445813952.db2.gz DSAZTOUMJDXKFH-OAHLLOKOSA-N 2 1 343.537 1.607 20 0 EDADMP CC[NH+]1CCC([N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C2CC2)CC1 ZINC000363458948 445813955 /nfs/dbraw/zinc/81/39/55/445813955.db2.gz DSAZTOUMJDXKFH-OAHLLOKOSA-N 2 1 343.537 1.607 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000356545329 445851994 /nfs/dbraw/zinc/85/19/94/445851994.db2.gz SYMBODDZYNFVBW-WMZOPIPTSA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000356545329 445851999 /nfs/dbraw/zinc/85/19/99/445851999.db2.gz SYMBODDZYNFVBW-WMZOPIPTSA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+](C)Cc2ccccc2)C1 ZINC000356545329 445852003 /nfs/dbraw/zinc/85/20/03/445852003.db2.gz SYMBODDZYNFVBW-WMZOPIPTSA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+](C)Cc2ccccc2)C1 ZINC000356545329 445852007 /nfs/dbraw/zinc/85/20/07/445852007.db2.gz SYMBODDZYNFVBW-WMZOPIPTSA-N 2 1 333.476 1.732 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)/C=C/C[NH+](C)C)[C@H](C)C2)s1 ZINC000363550645 445854550 /nfs/dbraw/zinc/85/45/50/445854550.db2.gz DXNBHRKQRUFDCO-GBYQGRNTSA-N 2 1 336.505 1.896 20 0 EDADMP CCC[N@@H+](C[C@H](O)COC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000361748281 445913739 /nfs/dbraw/zinc/91/37/39/445913739.db2.gz BFZVZHJTKSGLBF-KRWDZBQOSA-N 2 1 336.480 1.782 20 0 EDADMP CCC[N@H+](C[C@H](O)COC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000361748281 445913743 /nfs/dbraw/zinc/91/37/43/445913743.db2.gz BFZVZHJTKSGLBF-KRWDZBQOSA-N 2 1 336.480 1.782 20 0 EDADMP CCC[N@@H+](C[C@H](O)COC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000361748281 445913748 /nfs/dbraw/zinc/91/37/48/445913748.db2.gz BFZVZHJTKSGLBF-KRWDZBQOSA-N 2 1 336.480 1.782 20 0 EDADMP C[N@@H+](CC(=O)NC(=O)Nc1ccccc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366004978 445956271 /nfs/dbraw/zinc/95/62/71/445956271.db2.gz OEHGKRWPDZFZPV-CQSZACIVSA-N 2 1 341.415 1.726 20 0 EDADMP C[N@H+](CC(=O)NC(=O)Nc1ccccc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366004978 445956274 /nfs/dbraw/zinc/95/62/74/445956274.db2.gz OEHGKRWPDZFZPV-CQSZACIVSA-N 2 1 341.415 1.726 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)CC2)c1=O ZINC000365091876 446018682 /nfs/dbraw/zinc/01/86/82/446018682.db2.gz GMQNTJJXMCNYKQ-BFYDXBDKSA-N 2 1 347.507 1.550 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000583559625 326095631 /nfs/dbraw/zinc/09/56/31/326095631.db2.gz DSECFLQXPQHJMG-QRQLOZEOSA-N 2 1 334.460 1.789 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000583559625 326095633 /nfs/dbraw/zinc/09/56/33/326095633.db2.gz DSECFLQXPQHJMG-QRQLOZEOSA-N 2 1 334.460 1.789 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373148742 446059422 /nfs/dbraw/zinc/05/94/22/446059422.db2.gz YXUJZZHGBMHUMA-FHWLQOOXSA-N 2 1 342.524 1.987 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373148742 446059423 /nfs/dbraw/zinc/05/94/23/446059423.db2.gz YXUJZZHGBMHUMA-FHWLQOOXSA-N 2 1 342.524 1.987 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000583932761 326168018 /nfs/dbraw/zinc/16/80/18/326168018.db2.gz IKAWVBRRMWDYMR-QAPCUYQASA-N 2 1 330.476 1.986 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000373154871 446063399 /nfs/dbraw/zinc/06/33/99/446063399.db2.gz QVBMGGZAVYOEHC-UHFFFAOYSA-N 2 1 344.503 1.277 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000373154871 446063407 /nfs/dbraw/zinc/06/34/07/446063407.db2.gz QVBMGGZAVYOEHC-UHFFFAOYSA-N 2 1 344.503 1.277 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000373192727 446088617 /nfs/dbraw/zinc/08/86/17/446088617.db2.gz WANBEVVFQGANJD-FHWLQOOXSA-N 2 1 344.503 1.895 20 0 EDADMP COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000373174309 446074062 /nfs/dbraw/zinc/07/40/62/446074062.db2.gz UPJOBTVUJFTXFH-WBVHZDCISA-N 2 1 337.464 1.679 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCN(Cc4cccs4)CC3)C[C@H]12 ZINC000351479283 446078494 /nfs/dbraw/zinc/07/84/94/446078494.db2.gz REEGDQWOFHBQEP-HYVNUMGLSA-N 2 1 348.516 1.061 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCN(Cc4cccs4)CC3)C[C@H]12 ZINC000351479283 446078499 /nfs/dbraw/zinc/07/84/99/446078499.db2.gz REEGDQWOFHBQEP-HYVNUMGLSA-N 2 1 348.516 1.061 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000359254912 446090660 /nfs/dbraw/zinc/09/06/60/446090660.db2.gz VFHMOMKOJZLEST-HRCADAONSA-N 2 1 340.512 1.022 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000359254912 446090663 /nfs/dbraw/zinc/09/06/63/446090663.db2.gz VFHMOMKOJZLEST-HRCADAONSA-N 2 1 340.512 1.022 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000359254912 446090664 /nfs/dbraw/zinc/09/06/64/446090664.db2.gz VFHMOMKOJZLEST-HRCADAONSA-N 2 1 340.512 1.022 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351493104 446097171 /nfs/dbraw/zinc/09/71/71/446097171.db2.gz LURATASJTKJNNU-OSRDXIQISA-N 2 1 331.416 1.454 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351493104 446097172 /nfs/dbraw/zinc/09/71/72/446097172.db2.gz LURATASJTKJNNU-OSRDXIQISA-N 2 1 331.416 1.454 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000369402806 446117413 /nfs/dbraw/zinc/11/74/13/446117413.db2.gz SLPXWHAEVHFPKM-QZWWFDLISA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000369402806 446117418 /nfs/dbraw/zinc/11/74/18/446117418.db2.gz SLPXWHAEVHFPKM-QZWWFDLISA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000369402806 446117422 /nfs/dbraw/zinc/11/74/22/446117422.db2.gz SLPXWHAEVHFPKM-QZWWFDLISA-N 2 1 338.496 1.269 20 0 EDADMP COC1(C[C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CCC1 ZINC000365345784 446160766 /nfs/dbraw/zinc/16/07/66/446160766.db2.gz PGECIRCCYLGWIK-IRXDYDNUSA-N 2 1 325.497 1.330 20 0 EDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000365406992 446192755 /nfs/dbraw/zinc/19/27/55/446192755.db2.gz XSDCTVMQCDTGMY-MRXNPFEDSA-N 2 1 332.448 1.530 20 0 EDADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000373367590 446184552 /nfs/dbraw/zinc/18/45/52/446184552.db2.gz CJYRRJKMXNZGIW-GOSISDBHSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000373367591 446184729 /nfs/dbraw/zinc/18/47/29/446184729.db2.gz CJYRRJKMXNZGIW-SFHVURJKSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@H]3CC[NH+](C4CC4)C3)CC2)CCO1 ZINC000359381093 446185684 /nfs/dbraw/zinc/18/56/84/446185684.db2.gz BKKZFGJJSNXAKW-CABCVRRESA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)CCO1 ZINC000359381093 446185689 /nfs/dbraw/zinc/18/56/89/446185689.db2.gz BKKZFGJJSNXAKW-CABCVRRESA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)CCO1 ZINC000359381093 446185691 /nfs/dbraw/zinc/18/56/91/446185691.db2.gz BKKZFGJJSNXAKW-CABCVRRESA-N 2 1 336.480 1.118 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)N[C@H]3CC[NH+](C4CC4)C3)CC2)CCO1 ZINC000359381097 446185974 /nfs/dbraw/zinc/18/59/74/446185974.db2.gz BKKZFGJJSNXAKW-GJZGRUSLSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@H]1C[NH+](C2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)CCO1 ZINC000359381097 446185979 /nfs/dbraw/zinc/18/59/79/446185979.db2.gz BKKZFGJJSNXAKW-GJZGRUSLSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@H]1C[NH+](C2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)CCO1 ZINC000359381097 446185987 /nfs/dbraw/zinc/18/59/87/446185987.db2.gz BKKZFGJJSNXAKW-GJZGRUSLSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000362069916 446190550 /nfs/dbraw/zinc/19/05/50/446190550.db2.gz VUMXGDSNYKUINL-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000362069916 446190555 /nfs/dbraw/zinc/19/05/55/446190555.db2.gz VUMXGDSNYKUINL-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362069916 446190558 /nfs/dbraw/zinc/19/05/58/446190558.db2.gz VUMXGDSNYKUINL-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362069916 446190561 /nfs/dbraw/zinc/19/05/61/446190561.db2.gz VUMXGDSNYKUINL-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP COC1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[NH2+]CC1 ZINC000366329149 446156318 /nfs/dbraw/zinc/15/63/18/446156318.db2.gz XCSYJTYQVPONMS-KRWDZBQOSA-N 2 1 346.475 1.178 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)c(=O)n1C ZINC000370533704 446321827 /nfs/dbraw/zinc/32/18/27/446321827.db2.gz ASLCWZHORNGWLL-BMGDILEWSA-N 2 1 333.476 1.673 20 0 EDADMP C[C@@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCSCC1 ZINC000366722669 446323537 /nfs/dbraw/zinc/32/35/37/446323537.db2.gz VOLHFBMIPCGRST-HNNXBMFYSA-N 2 1 348.516 1.946 20 0 EDADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@H]3CCCNC3=O)CC2)CC1 ZINC000362364169 446335389 /nfs/dbraw/zinc/33/53/89/446335389.db2.gz HABLHFBTIRKRCK-SFHVURJKSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074301 446351192 /nfs/dbraw/zinc/35/11/92/446351192.db2.gz JOJGTOQYJLEIOG-AWEZNQCLSA-N 2 1 338.496 1.807 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000365837514 446364077 /nfs/dbraw/zinc/36/40/77/446364077.db2.gz LQMOYTSXAUYEKN-OAHLLOKOSA-N 2 1 348.495 2.003 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000417667869 446369660 /nfs/dbraw/zinc/36/96/60/446369660.db2.gz HUJNDANRKUARGL-TWMKSMIVSA-N 2 1 340.512 1.421 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCC(F)(F)C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000417871042 446375354 /nfs/dbraw/zinc/37/53/54/446375354.db2.gz JDCYQUDRBGOPBB-TZMCWYRMSA-N 2 1 326.391 1.543 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCC(F)(F)C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000417871042 446375359 /nfs/dbraw/zinc/37/53/59/446375359.db2.gz JDCYQUDRBGOPBB-TZMCWYRMSA-N 2 1 326.391 1.543 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418072561 446431373 /nfs/dbraw/zinc/43/13/73/446431373.db2.gz KRXMSHJTUUMVNV-SJLPKXTDSA-N 2 1 348.491 1.432 20 0 EDADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000423124189 446431643 /nfs/dbraw/zinc/43/16/43/446431643.db2.gz MFUXFTVSLIPJJA-RTBURBONSA-N 2 1 348.491 1.269 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431792646 446433716 /nfs/dbraw/zinc/43/37/16/446433716.db2.gz WOGYEPGCAXKFMH-MRXNPFEDSA-N 2 1 325.497 1.820 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)CCC(F)(F)F ZINC000418082125 446434181 /nfs/dbraw/zinc/43/41/81/446434181.db2.gz WRZXFWIUWMXTDW-FUNVUKJBSA-N 2 1 336.402 1.843 20 0 EDADMP CC[C@@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000423130225 446434372 /nfs/dbraw/zinc/43/43/72/446434372.db2.gz GFNORDDHXXBFIC-VAMGGRTRSA-N 2 1 331.504 1.916 20 0 EDADMP COCC[C@]1(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000370779951 446438107 /nfs/dbraw/zinc/43/81/07/446438107.db2.gz MMMOJTAMJVTIOI-ZIFCJYIRSA-N 2 1 339.524 1.877 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cnnn1CC ZINC000418093684 446439356 /nfs/dbraw/zinc/43/93/56/446439356.db2.gz HADBUTAQAKSOGP-IEBWSBKVSA-N 2 1 343.475 1.925 20 0 EDADMP CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC000418093684 446439361 /nfs/dbraw/zinc/43/93/61/446439361.db2.gz HADBUTAQAKSOGP-IEBWSBKVSA-N 2 1 343.475 1.925 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@]3(F)CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000370783262 446440119 /nfs/dbraw/zinc/44/01/19/446440119.db2.gz XLRHABOLQMTZRY-KHYOSLBOSA-N 2 1 349.450 1.614 20 0 EDADMP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(C)n1 ZINC000411145993 446409731 /nfs/dbraw/zinc/40/97/31/446409731.db2.gz DGTISEFYLHRDPA-LSDHHAIUSA-N 2 1 330.432 1.688 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000418009941 446414772 /nfs/dbraw/zinc/41/47/72/446414772.db2.gz IWGOQGMFWNANAJ-CGTJXYLNSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420296213 446459042 /nfs/dbraw/zinc/45/90/42/446459042.db2.gz WRIIGUZNHORAOU-QAPCUYQASA-N 2 1 340.471 1.953 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420296213 446459052 /nfs/dbraw/zinc/45/90/52/446459052.db2.gz WRIIGUZNHORAOU-QAPCUYQASA-N 2 1 340.471 1.953 20 0 EDADMP c1cc(N2CC[NH+](CCCNc3nnc(C4CC4)s3)CC2)cc[nH+]1 ZINC000432344871 446461982 /nfs/dbraw/zinc/46/19/82/446461982.db2.gz GDHGGBOZBATDLT-UHFFFAOYSA-N 2 1 344.488 2.435 20 0 EDADMP C[N@@H+](CCCCNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1CC1 ZINC000418263224 446476659 /nfs/dbraw/zinc/47/66/59/446476659.db2.gz JKNWYBUZGXCZLJ-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000423301918 446479643 /nfs/dbraw/zinc/47/96/43/446479643.db2.gz IRANSAMEEZRLIP-QLFBSQMISA-N 2 1 349.479 1.106 20 0 EDADMP C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)[N@H+]1CCCC[C@H]1C ZINC000423318626 446486388 /nfs/dbraw/zinc/48/63/88/446486388.db2.gz CRDALENAVAJSHU-KFWWJZLASA-N 2 1 333.480 1.869 20 0 EDADMP Cn1ccnc1C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000420321071 446487579 /nfs/dbraw/zinc/48/75/79/446487579.db2.gz ZJXUOIKHDMBYJL-SJORKVTESA-N 3 1 331.508 1.754 20 0 EDADMP Cn1ccnc1CN(CC[C@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000420321071 446487586 /nfs/dbraw/zinc/48/75/86/446487586.db2.gz ZJXUOIKHDMBYJL-SJORKVTESA-N 2 1 331.508 1.754 20 0 EDADMP C[C@@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1cccs1 ZINC000420327150 446494815 /nfs/dbraw/zinc/49/48/15/446494815.db2.gz KRXAMCAUHABDSH-KGLIPLIRSA-N 2 1 337.489 1.613 20 0 EDADMP C[C@@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1cccs1 ZINC000420327150 446494819 /nfs/dbraw/zinc/49/48/19/446494819.db2.gz KRXAMCAUHABDSH-KGLIPLIRSA-N 2 1 337.489 1.613 20 0 EDADMP COC[C@@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC[NH2+]C1 ZINC000423364030 446501262 /nfs/dbraw/zinc/50/12/62/446501262.db2.gz YVPTVIQUJMTQGF-LJQANCHMSA-N 2 1 337.508 1.727 20 0 EDADMP COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420333689 446502821 /nfs/dbraw/zinc/50/28/21/446502821.db2.gz FPBDVDKQFWSHOF-CABCVRRESA-N 2 1 347.459 1.964 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000423378516 446510573 /nfs/dbraw/zinc/51/05/73/446510573.db2.gz FZIXLUHXACMKEQ-WBVHZDCISA-N 2 1 333.476 1.892 20 0 EDADMP COCC[N@H+]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000423378516 446510578 /nfs/dbraw/zinc/51/05/78/446510578.db2.gz FZIXLUHXACMKEQ-WBVHZDCISA-N 2 1 333.476 1.892 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000418361458 446515162 /nfs/dbraw/zinc/51/51/62/446515162.db2.gz KYBCWHLJSGIAFO-SZMVWBNQSA-N 2 1 348.491 1.024 20 0 EDADMP C[NH2+]CCN(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000420342811 446515767 /nfs/dbraw/zinc/51/57/67/446515767.db2.gz YDISWNJYZYXCLZ-UHFFFAOYSA-N 2 1 332.492 1.181 20 0 EDADMP C[NH2+]CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000418325711 446498792 /nfs/dbraw/zinc/49/87/92/446498792.db2.gz JYDZWRKUZQSPRX-IAGOWNOFSA-N 2 1 339.528 1.184 20 0 EDADMP CC1CCC(N(C)C(=O)C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1 ZINC000420382325 446559233 /nfs/dbraw/zinc/55/92/33/446559233.db2.gz AGGZLXFXMRWXQF-HIEASXQVSA-N 2 1 349.519 1.724 20 0 EDADMP COc1ccc(CN2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)CC2=O)cc1 ZINC000420382131 446559348 /nfs/dbraw/zinc/55/93/48/446559348.db2.gz YJGYEFFLVNHMOO-MRXNPFEDSA-N 2 1 331.460 1.729 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000418483296 446561326 /nfs/dbraw/zinc/56/13/26/446561326.db2.gz ZAPGLGOSIOKVRT-FJIDUMEYSA-N 2 1 346.475 1.048 20 0 EDADMP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344857 446517576 /nfs/dbraw/zinc/51/75/76/446517576.db2.gz UVUNNZHXCGROKJ-NVXWUHKLSA-N 2 1 331.460 1.633 20 0 EDADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000420346932 446521341 /nfs/dbraw/zinc/52/13/41/446521341.db2.gz FCRDHEICVPQCAE-QZTJIDSGSA-N 2 1 344.503 1.918 20 0 EDADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000420346932 446521347 /nfs/dbraw/zinc/52/13/47/446521347.db2.gz FCRDHEICVPQCAE-QZTJIDSGSA-N 2 1 344.503 1.918 20 0 EDADMP Cc1ccncc1CCC[N@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000367369812 446539275 /nfs/dbraw/zinc/53/92/75/446539275.db2.gz ICEFKUWLWDZSDY-CRAIPNDOSA-N 2 1 330.432 1.633 20 0 EDADMP CC[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3Cc4ccccc43)CC2)C1 ZINC000376521036 446553094 /nfs/dbraw/zinc/55/30/94/446553094.db2.gz YQRPTFZKQJIYNK-MOPGFXCFSA-N 2 1 329.488 1.665 20 0 EDADMP CC[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3Cc4ccccc43)CC2)C1 ZINC000376521036 446553100 /nfs/dbraw/zinc/55/31/00/446553100.db2.gz YQRPTFZKQJIYNK-MOPGFXCFSA-N 2 1 329.488 1.665 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000420376249 446553512 /nfs/dbraw/zinc/55/35/12/446553512.db2.gz QFHPRKXABZWRPJ-VMXMFDLUSA-N 2 1 343.515 1.866 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000418600350 446610253 /nfs/dbraw/zinc/61/02/53/446610253.db2.gz JLUZZKIBYIWYKS-HZPDHXFCSA-N 3 1 327.517 1.042 20 0 EDADMP CCO[C@@H](C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371089392 446620430 /nfs/dbraw/zinc/62/04/30/446620430.db2.gz QAXQBUKXWWJPRB-HNNXBMFYSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000420405808 446578934 /nfs/dbraw/zinc/57/89/34/446578934.db2.gz UBQRCZWIKHICGJ-MSOLQXFVSA-N 2 1 344.503 1.321 20 0 EDADMP CN(C(=O)NC[C@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418530978 446583338 /nfs/dbraw/zinc/58/33/38/446583338.db2.gz VVMLDURHFWNCLU-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418538664 446584823 /nfs/dbraw/zinc/58/48/23/446584823.db2.gz DWKXBYFVHBMIGW-WBVHZDCISA-N 2 1 333.480 1.815 20 0 EDADMP C[N@H+]1CC[C@@H](NC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000420412186 446586302 /nfs/dbraw/zinc/58/63/02/446586302.db2.gz SFAGLULTZJMERI-WOZUAGRISA-N 2 1 339.483 1.952 20 0 EDADMP CN1CC[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000420412186 446586307 /nfs/dbraw/zinc/58/63/07/446586307.db2.gz SFAGLULTZJMERI-WOZUAGRISA-N 2 1 339.483 1.952 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000418578346 446602386 /nfs/dbraw/zinc/60/23/86/446602386.db2.gz VMARCONTZLDGLD-SJLPKXTDSA-N 2 1 330.476 1.963 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000418659589 446639182 /nfs/dbraw/zinc/63/91/82/446639182.db2.gz XOHDQWINGLQWDI-RVKKMQEKSA-N 2 1 348.491 1.345 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H](C)CCCC[NH3+])CC[N@H+]1CCOC ZINC000418678131 446645968 /nfs/dbraw/zinc/64/59/68/446645968.db2.gz VEIDWFCUINHBOP-HOTGVXAUSA-N 2 1 328.501 1.646 20 0 EDADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000434467607 446646923 /nfs/dbraw/zinc/64/69/23/446646923.db2.gz OUYPHVQWGPWHPW-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000434467607 446646929 /nfs/dbraw/zinc/64/69/29/446646929.db2.gz OUYPHVQWGPWHPW-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000434467607 446646933 /nfs/dbraw/zinc/64/69/33/446646933.db2.gz OUYPHVQWGPWHPW-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC3(CCOCC3)[C@H]2C)CC1 ZINC000375242946 446665003 /nfs/dbraw/zinc/66/50/03/446665003.db2.gz SBWZOVXRRZFHPO-MRXNPFEDSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000423739751 446671759 /nfs/dbraw/zinc/67/17/59/446671759.db2.gz HXIQTAFHTIVINX-ROUUACIJSA-N 2 1 336.524 1.395 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000368155862 446674632 /nfs/dbraw/zinc/67/46/32/446674632.db2.gz RFWSJFLHSXHJOT-SZMVWBNQSA-N 2 1 331.460 1.486 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000368155862 446674639 /nfs/dbraw/zinc/67/46/39/446674639.db2.gz RFWSJFLHSXHJOT-SZMVWBNQSA-N 2 1 331.460 1.486 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000368155862 446674645 /nfs/dbraw/zinc/67/46/45/446674645.db2.gz RFWSJFLHSXHJOT-SZMVWBNQSA-N 2 1 331.460 1.486 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000368155862 446674649 /nfs/dbraw/zinc/67/46/49/446674649.db2.gz RFWSJFLHSXHJOT-SZMVWBNQSA-N 2 1 331.460 1.486 20 0 EDADMP CN1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000371090273 446621887 /nfs/dbraw/zinc/62/18/87/446621887.db2.gz WUETYFZWHTZVGO-KSSFIOAISA-N 2 1 328.460 1.957 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000371090273 446621894 /nfs/dbraw/zinc/62/18/94/446621894.db2.gz WUETYFZWHTZVGO-KSSFIOAISA-N 2 1 328.460 1.957 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000371090273 446621901 /nfs/dbraw/zinc/62/19/01/446621901.db2.gz WUETYFZWHTZVGO-KSSFIOAISA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000371090273 446621907 /nfs/dbraw/zinc/62/19/07/446621907.db2.gz WUETYFZWHTZVGO-KSSFIOAISA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000371090273 446621912 /nfs/dbraw/zinc/62/19/12/446621912.db2.gz WUETYFZWHTZVGO-KSSFIOAISA-N 2 1 328.460 1.957 20 0 EDADMP Cc1cc(NC[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)cc[nH+]1 ZINC000368174927 446686338 /nfs/dbraw/zinc/68/63/38/446686338.db2.gz HVBMDESBTJWGAL-ZFWWWQNUSA-N 2 1 330.411 1.697 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000423836690 446723939 /nfs/dbraw/zinc/72/39/39/446723939.db2.gz AKQNAHHMSKBMRY-QYZOEREBSA-N 2 1 345.487 1.782 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@H+](CC(=O)N3CCCCCC3)C2)CC1 ZINC000371267056 446727130 /nfs/dbraw/zinc/72/71/30/446727130.db2.gz UVPTWSZXTKPAFQ-GOSISDBHSA-N 2 1 336.524 1.348 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CC(=O)N3CCCCCC3)C2)CC1 ZINC000371267056 446727135 /nfs/dbraw/zinc/72/71/35/446727135.db2.gz UVPTWSZXTKPAFQ-GOSISDBHSA-N 2 1 336.524 1.348 20 0 EDADMP C[N@H+]1CCCC[C@H]1CCN1CCN(CC[NH+]2CCCOCC2)CC1 ZINC000375337586 446731310 /nfs/dbraw/zinc/73/13/10/446731310.db2.gz SXTKTKGDYSPIME-IBGZPJMESA-N 2 1 338.540 1.201 20 0 EDADMP C[NH+]1CCCC[C@H]1CCN1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375337586 446731315 /nfs/dbraw/zinc/73/13/15/446731315.db2.gz SXTKTKGDYSPIME-IBGZPJMESA-N 2 1 338.540 1.201 20 0 EDADMP C[NH+]1CCCC[C@H]1CCN1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375337586 446731323 /nfs/dbraw/zinc/73/13/23/446731323.db2.gz SXTKTKGDYSPIME-IBGZPJMESA-N 2 1 338.540 1.201 20 0 EDADMP CC[C@H](CS(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)OC ZINC000420663443 446732587 /nfs/dbraw/zinc/73/25/87/446732587.db2.gz LDFLSPVFBIGAEG-JKSUJKDBSA-N 2 1 349.541 1.089 20 0 EDADMP CC[C@H](CS(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)OC ZINC000420663443 446732590 /nfs/dbraw/zinc/73/25/90/446732590.db2.gz LDFLSPVFBIGAEG-JKSUJKDBSA-N 2 1 349.541 1.089 20 0 EDADMP C[C@H]1C[C@@H](CCNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000423901526 446752075 /nfs/dbraw/zinc/75/20/75/446752075.db2.gz KTBNTUMVMCZNDA-ISARSNTHSA-N 2 1 345.487 1.780 20 0 EDADMP C[C@H]1C[C@@H](CCNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000423901526 446752086 /nfs/dbraw/zinc/75/20/86/446752086.db2.gz KTBNTUMVMCZNDA-ISARSNTHSA-N 2 1 345.487 1.780 20 0 EDADMP COCC[C@@H]1COCC[NH+]1CCCC[N@@H+]1CCOC[C@H]1CCOC ZINC000368283185 446758916 /nfs/dbraw/zinc/75/89/16/446758916.db2.gz WDYMQTSRXVFNFP-QZTJIDSGSA-N 2 1 344.496 1.241 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412032998 446795965 /nfs/dbraw/zinc/79/59/65/446795965.db2.gz IDCJJUYUBSSRNI-QFHJOOASSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000412032998 446795969 /nfs/dbraw/zinc/79/59/69/446795969.db2.gz IDCJJUYUBSSRNI-QFHJOOASSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000412032998 446795980 /nfs/dbraw/zinc/79/59/80/446795980.db2.gz IDCJJUYUBSSRNI-QFHJOOASSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](NC(=O)[C@H]([NH3+])C1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423886042 446743674 /nfs/dbraw/zinc/74/36/74/446743674.db2.gz ZOYNIUBHPPXDHZ-ZYSHUDEJSA-N 2 1 345.487 1.767 20 0 EDADMP C[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000420798607 446829973 /nfs/dbraw/zinc/82/99/73/446829973.db2.gz HXEBOGPNQNNYRD-FHERZECASA-N 2 1 326.485 1.127 20 0 EDADMP C[N@@H+](CCCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000418985759 446848715 /nfs/dbraw/zinc/84/87/15/446848715.db2.gz FUBYDYTVSXGXPV-INIZCTEOSA-N 2 1 338.496 1.001 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000377031559 446872969 /nfs/dbraw/zinc/87/29/69/446872969.db2.gz KAWAQQQIXSXEFK-IEBWSBKVSA-N 2 1 337.556 1.418 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000377031559 446872974 /nfs/dbraw/zinc/87/29/74/446872974.db2.gz KAWAQQQIXSXEFK-IEBWSBKVSA-N 2 1 337.556 1.418 20 0 EDADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000377082377 446909492 /nfs/dbraw/zinc/90/94/92/446909492.db2.gz NDEBVHBVUVCDHU-LNLFQRSKSA-N 2 1 336.524 1.645 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419113191 446931973 /nfs/dbraw/zinc/93/19/73/446931973.db2.gz QOYGAKLKVPFOAV-OAHLLOKOSA-N 2 1 348.491 1.066 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)CC1 ZINC000377121622 446934608 /nfs/dbraw/zinc/93/46/08/446934608.db2.gz WLFUWCAAZBHMPB-CQSZACIVSA-N 2 1 337.414 1.918 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)CC1 ZINC000377121622 446934613 /nfs/dbraw/zinc/93/46/13/446934613.db2.gz WLFUWCAAZBHMPB-CQSZACIVSA-N 2 1 337.414 1.918 20 0 EDADMP CCn1nccc1CC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420975894 446947375 /nfs/dbraw/zinc/94/73/75/446947375.db2.gz GFXNSLSHBQUNSU-UHFFFAOYSA-N 2 1 333.524 1.938 20 0 EDADMP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442752581 446950772 /nfs/dbraw/zinc/95/07/72/446950772.db2.gz DVOZLHIMTZOICR-KFWWJZLASA-N 2 1 344.459 1.810 20 0 EDADMP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442752581 446950777 /nfs/dbraw/zinc/95/07/77/446950777.db2.gz DVOZLHIMTZOICR-KFWWJZLASA-N 2 1 344.459 1.810 20 0 EDADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000372108819 447005703 /nfs/dbraw/zinc/00/57/03/447005703.db2.gz UFZCQBXKAQHQQT-GJZGRUSLSA-N 2 1 344.459 1.530 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000419215359 447014135 /nfs/dbraw/zinc/01/41/35/447014135.db2.gz OHOJTLBPUJNFIP-GJZGRUSLSA-N 2 1 346.475 1.141 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000454859317 446987758 /nfs/dbraw/zinc/98/77/58/446987758.db2.gz NLUTURGYBFIOPE-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443059055 447000406 /nfs/dbraw/zinc/00/04/06/447000406.db2.gz LTWMHHRMGUOWLS-KRWDZBQOSA-N 2 1 333.476 1.900 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@]3(C)CCO[C@H]3C3CC3)cn2)CC1 ZINC000372346914 447043312 /nfs/dbraw/zinc/04/33/12/447043312.db2.gz JMCZOAFNMAZXED-FUHWJXTLSA-N 2 1 331.464 1.276 20 0 EDADMP C[C@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1CCC[NH+]1CCCCC1 ZINC000372461179 447062392 /nfs/dbraw/zinc/06/23/92/447062392.db2.gz ZQWKNNZLFFARFR-OALUTQOASA-N 2 1 338.540 1.199 20 0 EDADMP CCC[NH+]1CCC(N2CC[NH+](Cc3c[nH]c4nccnc34)CC2)CC1 ZINC000368676938 447026118 /nfs/dbraw/zinc/02/61/18/447026118.db2.gz WIJJNVIRERNYEK-UHFFFAOYSA-N 2 1 342.491 1.902 20 0 EDADMP CC(C)C[C@H](CO)N(C)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368788736 447106894 /nfs/dbraw/zinc/10/68/94/447106894.db2.gz BWFQXHVNKJMFQV-NVXWUHKLSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)C[C@H](CO)N(C)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368788736 447106899 /nfs/dbraw/zinc/10/68/99/447106899.db2.gz BWFQXHVNKJMFQV-NVXWUHKLSA-N 2 1 340.512 1.203 20 0 EDADMP CC[C@@H]1C[C@H]1CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000455346144 447114391 /nfs/dbraw/zinc/11/43/91/447114391.db2.gz HRWWNNSKPIFGLA-WXCOAYGQSA-N 2 1 334.508 1.985 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](CC)C2)[C@@H](C)C1 ZINC000413300667 447125129 /nfs/dbraw/zinc/12/51/29/447125129.db2.gz VOJOWTLGULMHFY-ULQDDVLXSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](CC)C2)[C@@H](C)C1 ZINC000413300667 447125134 /nfs/dbraw/zinc/12/51/34/447125134.db2.gz VOJOWTLGULMHFY-ULQDDVLXSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CC)C2)[C@@H](C)C1 ZINC000413300667 447125141 /nfs/dbraw/zinc/12/51/41/447125141.db2.gz VOJOWTLGULMHFY-ULQDDVLXSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC3(CCOCC3)C2)CC1 ZINC000375889520 447124119 /nfs/dbraw/zinc/12/41/19/447124119.db2.gz KCBQBZCLGJTGRA-UHFFFAOYSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000419394740 447148766 /nfs/dbraw/zinc/14/87/66/447148766.db2.gz AJJSTXOKUPATDV-HZPDHXFCSA-N 2 1 348.491 1.345 20 0 EDADMP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@H]3CC4(CC4)C(=O)O3)CCCN2C)cn1 ZINC000375939824 447163239 /nfs/dbraw/zinc/16/32/39/447163239.db2.gz BSXQWHJGVLZWOC-USXIJHARSA-N 2 1 346.475 1.831 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000419445471 447181756 /nfs/dbraw/zinc/18/17/56/447181756.db2.gz URIOLKVZIOUDAW-IAGOWNOFSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000419445471 447181765 /nfs/dbraw/zinc/18/17/65/447181765.db2.gz URIOLKVZIOUDAW-IAGOWNOFSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000419445471 447181775 /nfs/dbraw/zinc/18/17/75/447181775.db2.gz URIOLKVZIOUDAW-IAGOWNOFSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[NH+](C)Cc2ccccc2)[C@@H](C)C[N@H+]1CCO ZINC000419445477 447182320 /nfs/dbraw/zinc/18/23/20/447182320.db2.gz URIOLKVZIOUDAW-SJORKVTESA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[N@H+](C)Cc2ccccc2)[C@@H](C)C[NH+]1CCO ZINC000419445477 447182326 /nfs/dbraw/zinc/18/23/26/447182326.db2.gz URIOLKVZIOUDAW-SJORKVTESA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[N@@H+](C)Cc2ccccc2)[C@@H](C)C[NH+]1CCO ZINC000419445477 447182335 /nfs/dbraw/zinc/18/23/35/447182335.db2.gz URIOLKVZIOUDAW-SJORKVTESA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)CCCO1 ZINC000368892581 447184303 /nfs/dbraw/zinc/18/43/03/447184303.db2.gz BZGLJIIWXKFTQE-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CCCO1 ZINC000368892581 447184307 /nfs/dbraw/zinc/18/43/07/447184307.db2.gz BZGLJIIWXKFTQE-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CCCO1 ZINC000368892581 447184314 /nfs/dbraw/zinc/18/43/14/447184314.db2.gz BZGLJIIWXKFTQE-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1noc(C)c1C ZINC000455676474 447206868 /nfs/dbraw/zinc/20/68/68/447206868.db2.gz UQTLCLZCHBVBET-OAHLLOKOSA-N 2 1 337.468 2.171 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc([C@H](C)O)s3)C2)CC1 ZINC000377616707 447247300 /nfs/dbraw/zinc/24/73/00/447247300.db2.gz QECVSELHRNXYGG-LSDHHAIUSA-N 2 1 338.521 1.797 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc([C@H](C)O)s3)C2)CC1 ZINC000377616707 447247312 /nfs/dbraw/zinc/24/73/12/447247312.db2.gz QECVSELHRNXYGG-LSDHHAIUSA-N 2 1 338.521 1.797 20 0 EDADMP COc1cc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)ccc1O ZINC000377617686 447247336 /nfs/dbraw/zinc/24/73/36/447247336.db2.gz BDEQBQDUXXOOKS-KRWDZBQOSA-N 2 1 333.476 1.860 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)CC1 ZINC000425550844 447225453 /nfs/dbraw/zinc/22/54/53/447225453.db2.gz IVNIESUZAWVNIK-FUHWJXTLSA-N 2 1 349.519 1.820 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)CC1 ZINC000425550844 447225462 /nfs/dbraw/zinc/22/54/62/447225462.db2.gz IVNIESUZAWVNIK-FUHWJXTLSA-N 2 1 349.519 1.820 20 0 EDADMP COC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000446836918 447259133 /nfs/dbraw/zinc/25/91/33/447259133.db2.gz WWPHBUHRTZETJC-WOJBJXKFSA-N 2 1 348.487 1.655 20 0 EDADMP COC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000446836918 447259137 /nfs/dbraw/zinc/25/91/37/447259137.db2.gz WWPHBUHRTZETJC-WOJBJXKFSA-N 2 1 348.487 1.655 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC[NH+]3CCC[C@@H]3C2)CCCO1 ZINC000376098621 447268723 /nfs/dbraw/zinc/26/87/23/447268723.db2.gz QKSSRWUUPPWPAZ-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCCO1 ZINC000376098621 447268728 /nfs/dbraw/zinc/26/87/28/447268728.db2.gz QKSSRWUUPPWPAZ-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCCO1 ZINC000376098621 447268735 /nfs/dbraw/zinc/26/87/35/447268735.db2.gz QKSSRWUUPPWPAZ-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000458840101 447488283 /nfs/dbraw/zinc/48/82/83/447488283.db2.gz JKYOMOCRWWYUJC-QGZVFWFLSA-N 2 1 338.496 1.369 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000426762106 447498953 /nfs/dbraw/zinc/49/89/53/447498953.db2.gz HKUIJGRDJKJDOW-CYBMUJFWSA-N 2 1 346.479 1.885 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000426762106 447498955 /nfs/dbraw/zinc/49/89/55/447498955.db2.gz HKUIJGRDJKJDOW-CYBMUJFWSA-N 2 1 346.479 1.885 20 0 EDADMP C[C@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000396430394 447543276 /nfs/dbraw/zinc/54/32/76/447543276.db2.gz UWQIOWWBDZYJLG-DOTOQJQBSA-N 2 1 333.501 1.814 20 0 EDADMP C[C@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000396430394 447543281 /nfs/dbraw/zinc/54/32/81/447543281.db2.gz UWQIOWWBDZYJLG-DOTOQJQBSA-N 2 1 333.501 1.814 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](C)C[N@@H+]1CCO ZINC000416308507 447565610 /nfs/dbraw/zinc/56/56/10/447565610.db2.gz MDYGNWAUIZUKKD-IXDOHACOSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](C)C[N@H+]1CCO ZINC000416308507 447565613 /nfs/dbraw/zinc/56/56/13/447565613.db2.gz MDYGNWAUIZUKKD-IXDOHACOSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](C)C[NH+]1CCO ZINC000416308507 447565620 /nfs/dbraw/zinc/56/56/20/447565620.db2.gz MDYGNWAUIZUKKD-IXDOHACOSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](C)C[NH+]1CCO ZINC000416308507 447565623 /nfs/dbraw/zinc/56/56/23/447565623.db2.gz MDYGNWAUIZUKKD-IXDOHACOSA-N 2 1 337.508 1.555 20 0 EDADMP O=C1CC[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCN1 ZINC000450890616 447606459 /nfs/dbraw/zinc/60/64/59/447606459.db2.gz VYQVRHQSCKXOOY-QRVBRYPASA-N 2 1 327.472 1.967 20 0 EDADMP O=C1CC[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCN1 ZINC000450890616 447606465 /nfs/dbraw/zinc/60/64/65/447606465.db2.gz VYQVRHQSCKXOOY-QRVBRYPASA-N 2 1 327.472 1.967 20 0 EDADMP O=C1CC[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCN1 ZINC000450890616 447606470 /nfs/dbraw/zinc/60/64/70/447606470.db2.gz VYQVRHQSCKXOOY-QRVBRYPASA-N 2 1 327.472 1.967 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459508424 447691846 /nfs/dbraw/zinc/69/18/46/447691846.db2.gz WSWLXVIVJIYXOJ-UHFFFAOYSA-N 2 1 348.491 1.848 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(NCC[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000420191863 447663622 /nfs/dbraw/zinc/66/36/22/447663622.db2.gz QKLGVXOGBCWFAQ-INMHGKMJSA-N 2 1 333.480 2.504 20 0 EDADMP C[C@@H]1CN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000416914549 447707230 /nfs/dbraw/zinc/70/72/30/447707230.db2.gz GAXGWIHGOCBOJC-BARDWOONSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@@H]1CN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000416914549 447707236 /nfs/dbraw/zinc/70/72/36/447707236.db2.gz GAXGWIHGOCBOJC-BARDWOONSA-N 2 1 326.485 1.266 20 0 EDADMP C[C@@H]1CN(CCN2CC[NH+](C3CC3)C[C@@H](C)C2)CC[N@H+](C2CC2)C1 ZINC000451091894 447679908 /nfs/dbraw/zinc/67/99/08/447679908.db2.gz KNEJWLRNRQDADV-HDICACEKSA-N 2 1 334.552 1.819 20 0 EDADMP C[C@@H]1CN(CCN2CC[N@@H+](C3CC3)C[C@@H](C)C2)CC[NH+](C2CC2)C1 ZINC000451091894 447679910 /nfs/dbraw/zinc/67/99/10/447679910.db2.gz KNEJWLRNRQDADV-HDICACEKSA-N 2 1 334.552 1.819 20 0 EDADMP C[C@@H]1CN(CCN2CC[N@H+](C3CC3)C[C@@H](C)C2)CC[NH+](C2CC2)C1 ZINC000451091894 447679920 /nfs/dbraw/zinc/67/99/20/447679920.db2.gz KNEJWLRNRQDADV-HDICACEKSA-N 2 1 334.552 1.819 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422633084 447680569 /nfs/dbraw/zinc/68/05/69/447680569.db2.gz HXKIADGEILEMLZ-RKVPGOIHSA-N 2 1 333.476 1.754 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422633084 447680573 /nfs/dbraw/zinc/68/05/73/447680573.db2.gz HXKIADGEILEMLZ-RKVPGOIHSA-N 2 1 333.476 1.754 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000410064806 447686551 /nfs/dbraw/zinc/68/65/51/447686551.db2.gz ZKDJOVSFUPETGM-ULQDDVLXSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000416941211 447717071 /nfs/dbraw/zinc/71/70/71/447717071.db2.gz JRNKDFHGKNXFFU-ZHCJQAHYSA-N 2 1 338.496 1.173 20 0 EDADMP CC(C)C[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000416940670 447717728 /nfs/dbraw/zinc/71/77/28/447717728.db2.gz PGYWBHLEETYUFR-DLBZAZTESA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000416949427 447722666 /nfs/dbraw/zinc/72/26/66/447722666.db2.gz HEDCJPFYNWHXLT-QZTJIDSGSA-N 2 1 347.507 1.258 20 0 EDADMP CC[C@H](CNC(=O)NC[C@H]([NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000417024313 447730896 /nfs/dbraw/zinc/73/08/96/447730896.db2.gz XADZQJKXMRBNTR-MSOLQXFVSA-N 2 1 330.476 1.860 20 0 EDADMP CC(C)(CNC(=O)N1CCO[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417088680 447734773 /nfs/dbraw/zinc/73/47/73/447734773.db2.gz LLVUSVXVUWFNGQ-KRWDZBQOSA-N 2 1 346.475 1.192 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)CC1 ZINC000459666443 447735495 /nfs/dbraw/zinc/73/54/95/447735495.db2.gz CDXONRVBZKPGKJ-IAGOWNOFSA-N 2 1 335.492 1.476 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417272737 447740644 /nfs/dbraw/zinc/74/06/44/447740644.db2.gz VJORVAVWGOHEPR-VKJFTORMSA-N 2 1 346.475 1.538 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417272737 447740648 /nfs/dbraw/zinc/74/06/48/447740648.db2.gz VJORVAVWGOHEPR-VKJFTORMSA-N 2 1 346.475 1.538 20 0 EDADMP CO[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000451850961 447762422 /nfs/dbraw/zinc/76/24/22/447762422.db2.gz MEKJZDHVTFVHMM-DLBZAZTESA-N 2 1 335.492 1.619 20 0 EDADMP NC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471853167 447815747 /nfs/dbraw/zinc/81/57/47/447815747.db2.gz YZCJHZKIFSEGMA-JKSUJKDBSA-N 2 1 332.448 1.244 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000458323312 447769652 /nfs/dbraw/zinc/76/96/52/447769652.db2.gz GTNRQGXDIAWIQC-IRXDYDNUSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000458323312 447769655 /nfs/dbraw/zinc/76/96/55/447769655.db2.gz GTNRQGXDIAWIQC-IRXDYDNUSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000458323312 447769660 /nfs/dbraw/zinc/76/96/60/447769660.db2.gz GTNRQGXDIAWIQC-IRXDYDNUSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C1CCCC1 ZINC000458330639 447770554 /nfs/dbraw/zinc/77/05/54/447770554.db2.gz FSENEWQQZLMPQW-MRXNPFEDSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1CCCC[N@H+]1CCO)C1CCCC1 ZINC000458330639 447770556 /nfs/dbraw/zinc/77/05/56/447770556.db2.gz FSENEWQQZLMPQW-MRXNPFEDSA-N 2 1 326.485 1.007 20 0 EDADMP COc1ccc(C(=O)NCC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422948393 447778772 /nfs/dbraw/zinc/77/87/72/447778772.db2.gz RFCPHAHCVYZPBH-HNAYVOBHSA-N 2 1 341.455 1.973 20 0 EDADMP CC[C@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422963541 447782264 /nfs/dbraw/zinc/78/22/64/447782264.db2.gz GFNORDDHXXBFIC-UFYCRDLUSA-N 2 1 331.504 1.916 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@@H]1C ZINC000430800443 447786242 /nfs/dbraw/zinc/78/62/42/447786242.db2.gz QYLSGTJCHBSGNM-BBRMVZONSA-N 2 1 348.495 1.456 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496499810 447791845 /nfs/dbraw/zinc/79/18/45/447791845.db2.gz TYYDGPJKPWPSOB-DZGCQCFKSA-N 2 1 327.469 1.431 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000423049135 447797780 /nfs/dbraw/zinc/79/77/80/447797780.db2.gz JDVCRMHTZHAHDE-KGLIPLIRSA-N 2 1 327.425 1.335 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000487638533 447835388 /nfs/dbraw/zinc/83/53/88/447835388.db2.gz SDUXKCJPCCEESE-NXHRZFHOSA-N 2 1 347.528 1.918 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000487638533 447835389 /nfs/dbraw/zinc/83/53/89/447835389.db2.gz SDUXKCJPCCEESE-NXHRZFHOSA-N 2 1 347.528 1.918 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000487638533 447835391 /nfs/dbraw/zinc/83/53/91/447835391.db2.gz SDUXKCJPCCEESE-NXHRZFHOSA-N 2 1 347.528 1.918 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000487638533 447835393 /nfs/dbraw/zinc/83/53/93/447835393.db2.gz SDUXKCJPCCEESE-NXHRZFHOSA-N 2 1 347.528 1.918 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000489573953 447864932 /nfs/dbraw/zinc/86/49/32/447864932.db2.gz QNVPVNZDGYVQEK-RLFYNMQTSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000489573953 447864938 /nfs/dbraw/zinc/86/49/38/447864938.db2.gz QNVPVNZDGYVQEK-RLFYNMQTSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000489573953 447864940 /nfs/dbraw/zinc/86/49/40/447864940.db2.gz QNVPVNZDGYVQEK-RLFYNMQTSA-N 2 1 334.508 1.985 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000569904894 447912671 /nfs/dbraw/zinc/91/26/71/447912671.db2.gz GPPJJXYXZQFGIO-SFHVURJKSA-N 2 1 345.491 1.782 20 0 EDADMP COc1ccc(COC[C@@H](O)C[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000575982718 447942610 /nfs/dbraw/zinc/94/26/10/447942610.db2.gz KNQUEUMQIVUYTN-CABCVRRESA-N 2 1 331.416 1.443 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000576037063 447956477 /nfs/dbraw/zinc/95/64/77/447956477.db2.gz JUQABTMQFCUPEJ-INIZCTEOSA-N 2 1 327.432 1.595 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000576051914 447960790 /nfs/dbraw/zinc/96/07/90/447960790.db2.gz VXDHDHRQPSECSN-INIZCTEOSA-N 2 1 341.521 1.042 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](Cc2cnn(CC(F)(F)F)c2)CC12CCOCC2 ZINC000569971997 447929180 /nfs/dbraw/zinc/92/91/80/447929180.db2.gz QJPJXGIJNMBLMX-ZDUSSCGKSA-N 2 1 332.370 1.633 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000530678266 447938583 /nfs/dbraw/zinc/93/85/83/447938583.db2.gz BAPMOLHYKUEIQP-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)C12CCC[NH+]1CCC2 ZINC000576113361 447976397 /nfs/dbraw/zinc/97/63/97/447976397.db2.gz HMFQOUCPXKDZRR-UHFFFAOYSA-N 2 1 330.476 1.990 20 0 EDADMP C[C@@H]1[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CCC12CCOCC2 ZINC000497223046 447977502 /nfs/dbraw/zinc/97/75/02/447977502.db2.gz RTYBIEKIMAGMBD-KXBFYZLASA-N 2 1 349.475 1.752 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000525477601 448000743 /nfs/dbraw/zinc/00/07/43/448000743.db2.gz YOBDIWOWPSKMEY-OALUTQOASA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000525477601 448000749 /nfs/dbraw/zinc/00/07/49/448000749.db2.gz YOBDIWOWPSKMEY-OALUTQOASA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000525477601 448000756 /nfs/dbraw/zinc/00/07/56/448000756.db2.gz YOBDIWOWPSKMEY-OALUTQOASA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000525477601 448000761 /nfs/dbraw/zinc/00/07/61/448000761.db2.gz YOBDIWOWPSKMEY-OALUTQOASA-N 2 1 345.487 1.734 20 0 EDADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000576222197 448003778 /nfs/dbraw/zinc/00/37/78/448003778.db2.gz RHTJRNBWZIXTIZ-IKGGRYGDSA-N 2 1 347.507 1.623 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496903893 448019640 /nfs/dbraw/zinc/01/96/40/448019640.db2.gz SFUXJGUQRJJUIL-INIZCTEOSA-N 2 1 343.512 1.878 20 0 EDADMP CCN(C)C[C@H](O)C[NH+]1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496903893 448019646 /nfs/dbraw/zinc/01/96/46/448019646.db2.gz SFUXJGUQRJJUIL-INIZCTEOSA-N 2 1 343.512 1.878 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000576321796 448025264 /nfs/dbraw/zinc/02/52/64/448025264.db2.gz YCOBELAJWWQWBS-YESZJQIVSA-N 2 1 338.496 1.221 20 0 EDADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)ccc21 ZINC000570902898 448079856 /nfs/dbraw/zinc/07/98/56/448079856.db2.gz CFBUIIFKRAORHH-ZWKOTPCHSA-N 2 1 328.460 1.564 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000531484977 448092409 /nfs/dbraw/zinc/09/24/09/448092409.db2.gz MLGIQDGYNMMSPP-BFYDXBDKSA-N 2 1 338.496 1.004 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000531804607 448148930 /nfs/dbraw/zinc/14/89/30/448148930.db2.gz CQEIRGGOGJRAFS-PVAVHDDUSA-N 2 1 338.496 1.125 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000531804607 448148933 /nfs/dbraw/zinc/14/89/33/448148933.db2.gz CQEIRGGOGJRAFS-PVAVHDDUSA-N 2 1 338.496 1.125 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@H]1CC ZINC000514788930 448204187 /nfs/dbraw/zinc/20/41/87/448204187.db2.gz APDDGDRYQIGLIA-MJGOQNOKSA-N 2 1 345.487 1.833 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@@]2(C)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000577368005 448277647 /nfs/dbraw/zinc/27/76/47/448277647.db2.gz HDCZNDHRXDXDLB-ICSRJNTNSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@@]2(C)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000577368005 448277650 /nfs/dbraw/zinc/27/76/50/448277650.db2.gz HDCZNDHRXDXDLB-ICSRJNTNSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@@]2(C)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000577368005 448277652 /nfs/dbraw/zinc/27/76/52/448277652.db2.gz HDCZNDHRXDXDLB-ICSRJNTNSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000532424794 448257179 /nfs/dbraw/zinc/25/71/79/448257179.db2.gz WIQXRPMTQVMECK-ZACQAIPSSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000532424794 448257183 /nfs/dbraw/zinc/25/71/83/448257183.db2.gz WIQXRPMTQVMECK-ZACQAIPSSA-N 2 1 338.496 1.271 20 0 EDADMP CC(C)C[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000532477395 448264142 /nfs/dbraw/zinc/26/41/42/448264142.db2.gz DMKGDUAMJZCSCO-QGZVFWFLSA-N 2 1 327.513 1.826 20 0 EDADMP CC(C)C[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000532477395 448264147 /nfs/dbraw/zinc/26/41/47/448264147.db2.gz DMKGDUAMJZCSCO-QGZVFWFLSA-N 2 1 327.513 1.826 20 0 EDADMP CC(C)C[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000532477395 448264152 /nfs/dbraw/zinc/26/41/52/448264152.db2.gz DMKGDUAMJZCSCO-QGZVFWFLSA-N 2 1 327.513 1.826 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000572119203 448292353 /nfs/dbraw/zinc/29/23/53/448292353.db2.gz OKTQBZNFXDYVIG-GJZGRUSLSA-N 2 1 334.464 1.444 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000515378153 448303879 /nfs/dbraw/zinc/30/38/79/448303879.db2.gz NKAKMSLPHBRGIH-CABCVRRESA-N 2 1 334.468 1.024 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC000527768069 448356514 /nfs/dbraw/zinc/35/65/14/448356514.db2.gz DLOVZWXBSZTNOE-RDJZCZTQSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527768069 448356517 /nfs/dbraw/zinc/35/65/17/448356517.db2.gz DLOVZWXBSZTNOE-RDJZCZTQSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527768069 448356518 /nfs/dbraw/zinc/35/65/18/448356518.db2.gz DLOVZWXBSZTNOE-RDJZCZTQSA-N 2 1 338.496 1.413 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000527984730 448404375 /nfs/dbraw/zinc/40/43/75/448404375.db2.gz XAKGFYQSZUUIMA-CQSZACIVSA-N 2 1 329.404 1.128 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000577887879 448412277 /nfs/dbraw/zinc/41/22/77/448412277.db2.gz YXYHLZBRZWYRGG-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000577887879 448412280 /nfs/dbraw/zinc/41/22/80/448412280.db2.gz YXYHLZBRZWYRGG-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000577887879 448412284 /nfs/dbraw/zinc/41/22/84/448412284.db2.gz YXYHLZBRZWYRGG-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)CCOC)CC2)CC1 ZINC000516581122 448444085 /nfs/dbraw/zinc/44/40/85/448444085.db2.gz CESUNMGEVFKDFY-OAHLLOKOSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000566352144 448452437 /nfs/dbraw/zinc/45/24/37/448452437.db2.gz XRUSADLIBKUTIA-KBXCAEBGSA-N 2 1 337.464 1.551 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000566352144 448452441 /nfs/dbraw/zinc/45/24/41/448452441.db2.gz XRUSADLIBKUTIA-KBXCAEBGSA-N 2 1 337.464 1.551 20 0 EDADMP C[C@H]1C[C@H](CC[NH2+]CCC(=O)NC(N)=O)C[N@H+]1Cc1ccccc1 ZINC000591757048 448482033 /nfs/dbraw/zinc/48/20/33/448482033.db2.gz TXAQEWMQXBCXSG-HOCLYGCPSA-N 2 1 332.448 1.462 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C2CC2)c1 ZINC000528334888 448490451 /nfs/dbraw/zinc/49/04/51/448490451.db2.gz KXDAQLJGTITYFE-QGZVFWFLSA-N 2 1 333.480 1.706 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000578350853 448524975 /nfs/dbraw/zinc/52/49/75/448524975.db2.gz OVNNRAIFVDMPDS-VYDXJSESSA-N 2 1 337.489 1.379 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000578350853 448524979 /nfs/dbraw/zinc/52/49/79/448524979.db2.gz OVNNRAIFVDMPDS-VYDXJSESSA-N 2 1 337.489 1.379 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC[NH2+][C@@H]3C)cc2)CC1 ZINC000566676095 448535583 /nfs/dbraw/zinc/53/55/83/448535583.db2.gz RVUOZEKDHKHADT-APWZRJJASA-N 2 1 344.503 1.438 20 0 EDADMP CC[C@H](NC(=O)N(C)CCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573308576 448593208 /nfs/dbraw/zinc/59/32/08/448593208.db2.gz WBBPMUREJKNAOR-ROUUACIJSA-N 2 1 348.491 1.656 20 0 EDADMP CC[C@H](NC(=O)N(C)CCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573308576 448593212 /nfs/dbraw/zinc/59/32/12/448593212.db2.gz WBBPMUREJKNAOR-ROUUACIJSA-N 2 1 348.491 1.656 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000518032339 448640842 /nfs/dbraw/zinc/64/08/42/448640842.db2.gz UZWXLGDOECLMAT-QZTJIDSGSA-N 2 1 330.476 1.846 20 0 EDADMP O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000518214976 448655320 /nfs/dbraw/zinc/65/53/20/448655320.db2.gz ILSVBGYQNTWHCV-MOPGFXCFSA-N 2 1 345.487 1.472 20 0 EDADMP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000518214976 448655323 /nfs/dbraw/zinc/65/53/23/448655323.db2.gz ILSVBGYQNTWHCV-MOPGFXCFSA-N 2 1 345.487 1.472 20 0 EDADMP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518214976 448655326 /nfs/dbraw/zinc/65/53/26/448655326.db2.gz ILSVBGYQNTWHCV-MOPGFXCFSA-N 2 1 345.487 1.472 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000584860327 448659879 /nfs/dbraw/zinc/65/98/79/448659879.db2.gz BILGYRSCEBKHRD-HZPDHXFCSA-N 2 1 343.537 1.655 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000584860327 448659886 /nfs/dbraw/zinc/65/98/86/448659886.db2.gz BILGYRSCEBKHRD-HZPDHXFCSA-N 2 1 343.537 1.655 20 0 EDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000584860327 448659894 /nfs/dbraw/zinc/65/98/94/448659894.db2.gz BILGYRSCEBKHRD-HZPDHXFCSA-N 2 1 343.537 1.655 20 0 EDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000584860327 448659900 /nfs/dbraw/zinc/65/99/00/448659900.db2.gz BILGYRSCEBKHRD-HZPDHXFCSA-N 2 1 343.537 1.655 20 0 EDADMP [NH3+]C1(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCC1 ZINC000517932199 448630954 /nfs/dbraw/zinc/63/09/54/448630954.db2.gz FADYSHOOHAIAQC-UHFFFAOYSA-N 2 1 336.867 1.460 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])[C@H](C)C1 ZINC000584783031 448631407 /nfs/dbraw/zinc/63/14/07/448631407.db2.gz JJDFDFQPFMCHFF-LTIDMASMSA-N 2 1 327.513 1.859 20 0 EDADMP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1ccccc1F ZINC000578770706 448634397 /nfs/dbraw/zinc/63/43/97/448634397.db2.gz ZLVFJNJSDDJIDX-OAHLLOKOSA-N 2 1 326.412 1.002 20 0 EDADMP CN(CCC[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000518499129 448685383 /nfs/dbraw/zinc/68/53/83/448685383.db2.gz MQRWZGQEBFRDDA-KRWDZBQOSA-N 2 1 334.464 1.268 20 0 EDADMP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CC[C@@H](O)C2)c1)[C@H]1CCSC1 ZINC000567427125 448690065 /nfs/dbraw/zinc/69/00/65/448690065.db2.gz RLCVVLFJHRXVNG-DLBZAZTESA-N 2 1 349.500 1.629 20 0 EDADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CC[C@@H](O)C2)c1)[C@H]1CCSC1 ZINC000567427125 448690071 /nfs/dbraw/zinc/69/00/71/448690071.db2.gz RLCVVLFJHRXVNG-DLBZAZTESA-N 2 1 349.500 1.629 20 0 EDADMP C[NH+](CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[C@H]1CCSC1 ZINC000567427125 448690076 /nfs/dbraw/zinc/69/00/76/448690076.db2.gz RLCVVLFJHRXVNG-DLBZAZTESA-N 2 1 349.500 1.629 20 0 EDADMP C[NH+](CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[C@H]1CCSC1 ZINC000567427125 448690082 /nfs/dbraw/zinc/69/00/82/448690082.db2.gz RLCVVLFJHRXVNG-DLBZAZTESA-N 2 1 349.500 1.629 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000528866892 448699080 /nfs/dbraw/zinc/69/90/80/448699080.db2.gz YMFJQAYUPRCPSU-QZTJIDSGSA-N 2 1 342.443 1.191 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000528866892 448699085 /nfs/dbraw/zinc/69/90/85/448699085.db2.gz YMFJQAYUPRCPSU-QZTJIDSGSA-N 2 1 342.443 1.191 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000567604312 448723107 /nfs/dbraw/zinc/72/31/07/448723107.db2.gz ONWFQGBSHKPUDF-IAGOWNOFSA-N 2 1 337.489 1.582 20 0 EDADMP CCN(C(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C1CCCCC1 ZINC000573669568 448684473 /nfs/dbraw/zinc/68/44/73/448684473.db2.gz CCJRNVQCGFCSJE-QGZVFWFLSA-N 2 1 348.495 1.555 20 0 EDADMP COc1cc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc2c1OCO2 ZINC000518492277 448684920 /nfs/dbraw/zinc/68/49/20/448684920.db2.gz LSAPKNLQJPOEPE-CABCVRRESA-N 2 1 346.427 1.624 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH2+][C@@H]3C)C2)cc(OC)c1 ZINC000567818285 448766817 /nfs/dbraw/zinc/76/68/17/448766817.db2.gz OCFIEKYXJLTZML-QIIPPGSGSA-N 2 1 347.459 1.392 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH2+][C@@H]3C)C2)cc(OC)c1 ZINC000567818285 448766822 /nfs/dbraw/zinc/76/68/22/448766822.db2.gz OCFIEKYXJLTZML-QIIPPGSGSA-N 2 1 347.459 1.392 20 0 EDADMP [NH3+]CC1(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000529286051 448808060 /nfs/dbraw/zinc/80/80/60/448808060.db2.gz VWHPZFAWGCPTRY-INIZCTEOSA-N 2 1 332.448 1.068 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529306688 448814199 /nfs/dbraw/zinc/81/41/99/448814199.db2.gz JACRKAUMDYJYKV-NVXWUHKLSA-N 2 1 336.480 1.023 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000567990336 448795143 /nfs/dbraw/zinc/79/51/43/448795143.db2.gz VHQSSVLMSXIASA-UHFFFAOYSA-N 3 1 330.520 1.736 20 0 EDADMP COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c2ccccc12 ZINC000519703261 448824359 /nfs/dbraw/zinc/82/43/59/448824359.db2.gz FCSOCRUEZDFXDC-PBHICJAKSA-N 2 1 325.412 1.592 20 0 EDADMP CN1CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@H](C[NH3+])C1 ZINC000519754423 448836396 /nfs/dbraw/zinc/83/63/96/448836396.db2.gz ISMKKBCNNGIGBR-IAGOWNOFSA-N 3 1 337.512 1.068 20 0 EDADMP CC(C)[NH2+]CCC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000574354272 448852844 /nfs/dbraw/zinc/85/28/44/448852844.db2.gz QHUGADOYLJJLKF-HNNXBMFYSA-N 2 1 338.521 1.541 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000568458515 448871867 /nfs/dbraw/zinc/87/18/67/448871867.db2.gz JBENENXEPDWKJU-BHYGNILZSA-N 2 1 340.512 1.392 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ncccc1OC ZINC000547469458 448884549 /nfs/dbraw/zinc/88/45/49/448884549.db2.gz ZEVMSTQWVGKTKH-HNNXBMFYSA-N 2 1 349.479 1.970 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000568371635 448861855 /nfs/dbraw/zinc/86/18/55/448861855.db2.gz NTUYKRHKGAOUNH-CRAIPNDOSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@@H](C)O1 ZINC000568621591 448896492 /nfs/dbraw/zinc/89/64/92/448896492.db2.gz WIIASXPFEKSZGX-YFHUEUNASA-N 2 1 325.497 1.063 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000574548935 448902171 /nfs/dbraw/zinc/90/21/71/448902171.db2.gz YDBOAGOXOBCJTG-XZVLQNKUSA-N 2 1 342.487 1.660 20 0 EDADMP CC[NH+]1CCC(CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC1 ZINC000569298532 448994865 /nfs/dbraw/zinc/99/48/65/448994865.db2.gz UORZVNQLJRSSAF-UHFFFAOYSA-N 2 1 341.544 1.243 20 0 EDADMP CC[NH+]1CCC(CNC(=O)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000569298532 448994872 /nfs/dbraw/zinc/99/48/72/448994872.db2.gz UORZVNQLJRSSAF-UHFFFAOYSA-N 2 1 341.544 1.243 20 0 EDADMP Cc1cn2c(n1)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)CCC2 ZINC000574967562 448999288 /nfs/dbraw/zinc/99/92/88/448999288.db2.gz QIXXZWQHGFKTSA-JKSUJKDBSA-N 2 1 349.479 1.215 20 0 EDADMP Cc1cn2c(n1)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)CCC2 ZINC000574967561 448999340 /nfs/dbraw/zinc/99/93/40/448999340.db2.gz QIXXZWQHGFKTSA-HZPDHXFCSA-N 2 1 349.479 1.215 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000582118311 449015504 /nfs/dbraw/zinc/01/55/04/449015504.db2.gz RBPPXGHRAPKMCO-LSDHHAIUSA-N 2 1 342.447 1.389 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000582118311 449015512 /nfs/dbraw/zinc/01/55/12/449015512.db2.gz RBPPXGHRAPKMCO-LSDHHAIUSA-N 2 1 342.447 1.389 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)[C@@H](C)O)CC2)CC1 ZINC000575069898 449027626 /nfs/dbraw/zinc/02/76/26/449027626.db2.gz MHYOWTRPBCMXRB-CQSZACIVSA-N 2 1 325.497 1.458 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592955560 449074917 /nfs/dbraw/zinc/07/49/17/449074917.db2.gz AANMNVIMVYXULK-CVEARBPZSA-N 2 1 347.507 1.961 20 0 EDADMP CCn1ncnc1CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000569590720 449052410 /nfs/dbraw/zinc/05/24/10/449052410.db2.gz VSVKDZIWKKXMEU-UHFFFAOYSA-N 2 1 348.495 1.111 20 0 EDADMP C[C@H]1CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CC[NH3+] ZINC000593730817 449165054 /nfs/dbraw/zinc/16/50/54/449165054.db2.gz HLLAMUXFXKZCQD-WDEREUQCSA-N 2 1 338.374 1.214 20 0 EDADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593735696 449170600 /nfs/dbraw/zinc/17/06/00/449170600.db2.gz YTBNPCXPRFSIHF-VBHSOAQHSA-N 2 1 348.422 1.923 20 0 EDADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593735696 449170602 /nfs/dbraw/zinc/17/06/02/449170602.db2.gz YTBNPCXPRFSIHF-VBHSOAQHSA-N 2 1 348.422 1.923 20 0 EDADMP [NH3+]C[C@H]1CCCn2ncc(C(=O)NC[C@@H]3CCC[N@@H+](CC4CC4)C3)c21 ZINC000595991761 449300445 /nfs/dbraw/zinc/30/04/45/449300445.db2.gz JYTYSPPTPVLTSY-JKSUJKDBSA-N 2 1 345.491 1.571 20 0 EDADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)C2)CC1 ZINC000602095137 449340123 /nfs/dbraw/zinc/34/01/23/449340123.db2.gz DGLQKAXZYKNJPQ-QZTJIDSGSA-N 2 1 334.508 1.242 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3COC(C)(C)C3)CC2)CC1 ZINC000617046234 449443463 /nfs/dbraw/zinc/44/34/63/449443463.db2.gz GOAJLGOSSDVRTC-MRXNPFEDSA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(CCOC)s3)C2)CC1 ZINC000602466781 449612789 /nfs/dbraw/zinc/61/27/89/449612789.db2.gz WXSAYJOYWFRTJT-HNNXBMFYSA-N 2 1 338.521 1.544 20 0 EDADMP COC(=O)CCN1CCC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1=O ZINC000594661234 449614841 /nfs/dbraw/zinc/61/48/41/449614841.db2.gz RNQQXIHRQLHDTJ-LSDHHAIUSA-N 2 1 341.496 1.497 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602469257 449615220 /nfs/dbraw/zinc/61/52/20/449615220.db2.gz SHEHKLXMUUFHOR-CMJOXMDJSA-N 2 1 343.537 1.258 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1c(F)cccc1F ZINC000617506283 449652199 /nfs/dbraw/zinc/65/21/99/449652199.db2.gz ISSOUFHVHZIJKB-ZDUSSCGKSA-N 2 1 327.419 1.896 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1c(F)cccc1F ZINC000617506283 449652203 /nfs/dbraw/zinc/65/22/03/449652203.db2.gz ISSOUFHVHZIJKB-ZDUSSCGKSA-N 2 1 327.419 1.896 20 0 EDADMP CO[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccc(O)cc1 ZINC000617506915 449655278 /nfs/dbraw/zinc/65/52/78/449655278.db2.gz CCHQSPNMFJAPQQ-YOEHRIQHSA-N 2 1 337.464 1.468 20 0 EDADMP CO[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc(O)cc1 ZINC000617506915 449655286 /nfs/dbraw/zinc/65/52/86/449655286.db2.gz CCHQSPNMFJAPQQ-YOEHRIQHSA-N 2 1 337.464 1.468 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1OCCc2ccccc21 ZINC000617506713 449656512 /nfs/dbraw/zinc/65/65/12/449656512.db2.gz WWNDJKKVSPJPHC-MAUKXSAKSA-N 2 1 333.476 1.689 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1OCCc2ccccc21 ZINC000617506713 449656516 /nfs/dbraw/zinc/65/65/16/449656516.db2.gz WWNDJKKVSPJPHC-MAUKXSAKSA-N 2 1 333.476 1.689 20 0 EDADMP C[NH+]1CCN(CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000600992074 449638742 /nfs/dbraw/zinc/63/87/42/449638742.db2.gz FSOBVWOJVCCBMP-UHFFFAOYSA-N 2 1 330.476 1.511 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc2c(c1)CCCO2 ZINC000617502261 449644052 /nfs/dbraw/zinc/64/40/52/449644052.db2.gz IZLOQJIQOLKRJL-INIZCTEOSA-N 2 1 347.503 1.942 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc2c(c1)CCCO2 ZINC000617502261 449644056 /nfs/dbraw/zinc/64/40/56/449644056.db2.gz IZLOQJIQOLKRJL-INIZCTEOSA-N 2 1 347.503 1.942 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000602592027 449692493 /nfs/dbraw/zinc/69/24/93/449692493.db2.gz GPQWKMUKQJOKQF-IRXDYDNUSA-N 2 1 347.459 1.438 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602592027 449692498 /nfs/dbraw/zinc/69/24/98/449692498.db2.gz GPQWKMUKQJOKQF-IRXDYDNUSA-N 2 1 347.459 1.438 20 0 EDADMP C[C@@H](CCNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)[NH+](C)C ZINC000617753949 449818477 /nfs/dbraw/zinc/81/84/77/449818477.db2.gz MNEUDTUDCNJKAU-INIZCTEOSA-N 2 1 332.492 1.504 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000594954217 449819242 /nfs/dbraw/zinc/81/92/42/449819242.db2.gz RTRPOXKRZFQYAZ-IAGOWNOFSA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000594954217 449819249 /nfs/dbraw/zinc/81/92/49/449819249.db2.gz RTRPOXKRZFQYAZ-IAGOWNOFSA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000594954217 449819259 /nfs/dbraw/zinc/81/92/59/449819259.db2.gz RTRPOXKRZFQYAZ-IAGOWNOFSA-N 2 1 338.496 1.127 20 0 EDADMP COC(=O)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[nH]1 ZINC000597187606 449863343 /nfs/dbraw/zinc/86/33/43/449863343.db2.gz RNXGNBVOJKUOIU-KRWDZBQOSA-N 2 1 343.427 1.658 20 0 EDADMP C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000612882980 449924874 /nfs/dbraw/zinc/92/48/74/449924874.db2.gz MHDJFGPMKMKSNT-KVSKMBFKSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000612882980 449924879 /nfs/dbraw/zinc/92/48/79/449924879.db2.gz MHDJFGPMKMKSNT-KVSKMBFKSA-N 2 1 346.475 1.327 20 0 EDADMP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cn1cnc2c1CCCC2 ZINC000615271359 450034663 /nfs/dbraw/zinc/03/46/63/450034663.db2.gz WGRDLDPBOGRYFP-IRXDYDNUSA-N 2 1 332.448 1.084 20 0 EDADMP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000615271359 450034673 /nfs/dbraw/zinc/03/46/73/450034673.db2.gz WGRDLDPBOGRYFP-IRXDYDNUSA-N 2 1 332.448 1.084 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000615308925 450056695 /nfs/dbraw/zinc/05/66/95/450056695.db2.gz OWEKTFHTZSPRSN-VQIMIIECSA-N 2 1 344.503 1.599 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCc3ccccc3)C2)C1 ZINC000618354803 450173128 /nfs/dbraw/zinc/17/31/28/450173128.db2.gz JIZOOHTXNHIBPQ-RTBURBONSA-N 2 1 345.487 1.483 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCc3ccccc3)C2)C1 ZINC000618354803 450173133 /nfs/dbraw/zinc/17/31/33/450173133.db2.gz JIZOOHTXNHIBPQ-RTBURBONSA-N 2 1 345.487 1.483 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000618354803 450173137 /nfs/dbraw/zinc/17/31/37/450173137.db2.gz JIZOOHTXNHIBPQ-RTBURBONSA-N 2 1 345.487 1.483 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000618354803 450173139 /nfs/dbraw/zinc/17/31/39/450173139.db2.gz JIZOOHTXNHIBPQ-RTBURBONSA-N 2 1 345.487 1.483 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000618554280 450241692 /nfs/dbraw/zinc/24/16/92/450241692.db2.gz KQEFPCHQCGCWBW-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000618554280 450241697 /nfs/dbraw/zinc/24/16/97/450241697.db2.gz KQEFPCHQCGCWBW-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000618554280 450241702 /nfs/dbraw/zinc/24/17/02/450241702.db2.gz KQEFPCHQCGCWBW-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000619894081 450360588 /nfs/dbraw/zinc/36/05/88/450360588.db2.gz BQHFSJNKJPROEH-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000619894081 450360592 /nfs/dbraw/zinc/36/05/92/450360592.db2.gz BQHFSJNKJPROEH-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000623783943 450584115 /nfs/dbraw/zinc/58/41/15/450584115.db2.gz XWSBFNWIDZSRGB-USXIJHARSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000623783943 450584118 /nfs/dbraw/zinc/58/41/18/450584118.db2.gz XWSBFNWIDZSRGB-USXIJHARSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000623783943 450584120 /nfs/dbraw/zinc/58/41/20/450584120.db2.gz XWSBFNWIDZSRGB-USXIJHARSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000623783943 450584124 /nfs/dbraw/zinc/58/41/24/450584124.db2.gz XWSBFNWIDZSRGB-USXIJHARSA-N 2 1 338.496 1.412 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000635071832 450622865 /nfs/dbraw/zinc/62/28/65/450622865.db2.gz YAIILKBGQCJFJB-RBUKOAKNSA-N 2 1 343.471 1.630 20 0 EDADMP CCO[C@H](C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CC1 ZINC000629542228 450727640 /nfs/dbraw/zinc/72/76/40/450727640.db2.gz CFGZJWGWYXFBTL-BRWVUGGUSA-N 2 1 336.480 1.022 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000629566978 450740031 /nfs/dbraw/zinc/74/00/31/450740031.db2.gz CJJYUYPRRARTSJ-CYBMUJFWSA-N 2 1 325.478 1.903 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000629566978 450740033 /nfs/dbraw/zinc/74/00/33/450740033.db2.gz CJJYUYPRRARTSJ-CYBMUJFWSA-N 2 1 325.478 1.903 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000629571951 450742334 /nfs/dbraw/zinc/74/23/34/450742334.db2.gz UPTMNCPLWUCUNX-HNNXBMFYSA-N 2 1 325.840 1.613 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000629571951 450742336 /nfs/dbraw/zinc/74/23/36/450742336.db2.gz UPTMNCPLWUCUNX-HNNXBMFYSA-N 2 1 325.840 1.613 20 0 EDADMP C[N@H+](CCOCC[NH3+])CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000629576667 450744607 /nfs/dbraw/zinc/74/46/07/450744607.db2.gz BPNUJQSKMNECGB-INIZCTEOSA-N 2 1 348.472 1.256 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000629576667 450744609 /nfs/dbraw/zinc/74/46/09/450744609.db2.gz BPNUJQSKMNECGB-INIZCTEOSA-N 2 1 348.472 1.256 20 0 EDADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000629578710 450746243 /nfs/dbraw/zinc/74/62/43/450746243.db2.gz DPZBIYPDDWQAJD-LBPRGKRZSA-N 2 1 343.855 1.891 20 0 EDADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000629578710 450746249 /nfs/dbraw/zinc/74/62/49/450746249.db2.gz DPZBIYPDDWQAJD-LBPRGKRZSA-N 2 1 343.855 1.891 20 0 EDADMP O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624229708 450756247 /nfs/dbraw/zinc/75/62/47/450756247.db2.gz AJSWOAAFZSAVKX-XRXFAXGQSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@@H]1CC[N@H+](CCN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000624229708 450756250 /nfs/dbraw/zinc/75/62/50/450756250.db2.gz AJSWOAAFZSAVKX-XRXFAXGQSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@@H]1CC[N@@H+](CCN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000624229708 450756256 /nfs/dbraw/zinc/75/62/56/450756256.db2.gz AJSWOAAFZSAVKX-XRXFAXGQSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@@H]1CC[NH+](CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624229708 450756260 /nfs/dbraw/zinc/75/62/60/450756260.db2.gz AJSWOAAFZSAVKX-XRXFAXGQSA-N 2 1 343.515 1.943 20 0 EDADMP O[C@@H]1CC[NH+](CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624229708 450756265 /nfs/dbraw/zinc/75/62/65/450756265.db2.gz AJSWOAAFZSAVKX-XRXFAXGQSA-N 2 1 343.515 1.943 20 0 EDADMP COc1cc(C(F)(F)F)nc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000624386174 450824428 /nfs/dbraw/zinc/82/44/28/450824428.db2.gz AYMKIJMEYNKZJS-NSHDSACASA-N 2 1 349.401 2.188 20 0 EDADMP COc1cc(C(F)(F)F)nc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000624386174 450824430 /nfs/dbraw/zinc/82/44/30/450824430.db2.gz AYMKIJMEYNKZJS-NSHDSACASA-N 2 1 349.401 2.188 20 0 EDADMP CS(=O)(=O)c1ccc(OCCC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631868310 450837331 /nfs/dbraw/zinc/83/73/31/450837331.db2.gz DAEZANLZULMPFN-PBHICJAKSA-N 2 1 338.473 1.591 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000635271693 450799827 /nfs/dbraw/zinc/79/98/27/450799827.db2.gz QZDPDVBBZQSSAG-INIZCTEOSA-N 2 1 348.466 1.406 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000635271693 450799831 /nfs/dbraw/zinc/79/98/31/450799831.db2.gz QZDPDVBBZQSSAG-INIZCTEOSA-N 2 1 348.466 1.406 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C[C@H](C)[N@H+]1CCO ZINC000627637772 450859484 /nfs/dbraw/zinc/85/94/84/450859484.db2.gz UICGBWPQMQCFHY-OGWHTMIXSA-N 2 1 345.487 1.245 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C[C@H](C)[N@@H+]1CCO ZINC000627637772 450859487 /nfs/dbraw/zinc/85/94/87/450859487.db2.gz UICGBWPQMQCFHY-OGWHTMIXSA-N 2 1 345.487 1.245 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@H](C)[NH+]1CCO ZINC000627637772 450859495 /nfs/dbraw/zinc/85/94/95/450859495.db2.gz UICGBWPQMQCFHY-OGWHTMIXSA-N 2 1 345.487 1.245 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[C@H](C)[NH+]1CCO ZINC000627637772 450859500 /nfs/dbraw/zinc/85/95/00/450859500.db2.gz UICGBWPQMQCFHY-OGWHTMIXSA-N 2 1 345.487 1.245 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000635352910 450876257 /nfs/dbraw/zinc/87/62/57/450876257.db2.gz YQZLBINEHHQAPK-QZTJIDSGSA-N 2 1 344.459 1.025 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635412199 450919517 /nfs/dbraw/zinc/91/95/17/450919517.db2.gz IKEZJGRHLDVMMQ-HZPDHXFCSA-N 2 1 325.497 1.581 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)c2C1 ZINC000626888231 450985135 /nfs/dbraw/zinc/98/51/35/450985135.db2.gz JRFIJMQFQBPKHJ-UKRRQHHQSA-N 2 1 344.459 1.607 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)c2C1 ZINC000626888231 450985139 /nfs/dbraw/zinc/98/51/39/450985139.db2.gz JRFIJMQFQBPKHJ-UKRRQHHQSA-N 2 1 344.459 1.607 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[C@@H]1C(F)(F)F ZINC000626938237 451019585 /nfs/dbraw/zinc/01/95/85/451019585.db2.gz OFRHJMOPICYGHZ-MQYQWHSLSA-N 2 1 348.413 1.782 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[C@H]1C(F)(F)F ZINC000626938239 451019597 /nfs/dbraw/zinc/01/95/97/451019597.db2.gz OFRHJMOPICYGHZ-YIYPIFLZSA-N 2 1 348.413 1.782 20 0 EDADMP C[NH+](C)CCOc1ccc(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000635500679 450995687 /nfs/dbraw/zinc/99/56/87/450995687.db2.gz KMKWXKPLGVEPMV-QGZVFWFLSA-N 2 1 333.476 1.628 20 0 EDADMP CCN(CC[NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000626984981 451051867 /nfs/dbraw/zinc/05/18/67/451051867.db2.gz AKQHWWOZHYNQMB-INIZCTEOSA-N 2 1 333.480 1.187 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)CCOCC[NH3+])cc1 ZINC000626997683 451063521 /nfs/dbraw/zinc/06/35/21/451063521.db2.gz VWAUYVSPFMLLLU-CQSZACIVSA-N 2 1 345.447 1.858 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCOCC2)[C@@H]1c1ccccc1 ZINC000627006074 451070153 /nfs/dbraw/zinc/07/01/53/451070153.db2.gz PLRWOOHHDMTNCV-HOTGVXAUSA-N 2 1 332.448 1.239 20 0 EDADMP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000635584270 451082221 /nfs/dbraw/zinc/08/22/21/451082221.db2.gz YYMSKFLOXOLYEZ-SFHVURJKSA-N 2 1 335.492 1.574 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635635742 451123309 /nfs/dbraw/zinc/12/33/09/451123309.db2.gz PDMWQTNTHWYJSP-KRWDZBQOSA-N 2 1 337.508 1.535 20 0 EDADMP CC[N@@H+](CCCNC(=O)NCC1([NH3+])CCOCC1)C1CCCCC1 ZINC000627109350 451127240 /nfs/dbraw/zinc/12/72/40/451127240.db2.gz UQYJTYIJRJTZNN-UHFFFAOYSA-N 2 1 340.512 1.838 20 0 EDADMP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000622535189 451165349 /nfs/dbraw/zinc/16/53/49/451165349.db2.gz UNYXDWQSWWMMIR-OAHLLOKOSA-N 2 1 347.488 1.937 20 0 EDADMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000622535189 451165355 /nfs/dbraw/zinc/16/53/55/451165355.db2.gz UNYXDWQSWWMMIR-OAHLLOKOSA-N 2 1 347.488 1.937 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000635749516 451217289 /nfs/dbraw/zinc/21/72/89/451217289.db2.gz LGQVGXFKONPZNB-NEWSRXKRSA-N 2 1 348.535 1.488 20 0 EDADMP CC[NH2+][C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000638094300 451259332 /nfs/dbraw/zinc/25/93/32/451259332.db2.gz ZNMAHDAQLITBBX-HIFRSBDPSA-N 2 1 332.448 1.320 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](Cn2cc([C@H]([NH3+])C3CCOCC3)nn2)C1 ZINC000630590089 451266140 /nfs/dbraw/zinc/26/61/40/451266140.db2.gz SVGVREUOQIEFCN-NVXWUHKLSA-N 2 1 337.468 1.061 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638101022 451266554 /nfs/dbraw/zinc/26/65/54/451266554.db2.gz MEOLZSJJARKEMC-ZWKOTPCHSA-N 2 1 332.492 1.436 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638101022 451266561 /nfs/dbraw/zinc/26/65/61/451266561.db2.gz MEOLZSJJARKEMC-ZWKOTPCHSA-N 2 1 332.492 1.436 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638101022 451266565 /nfs/dbraw/zinc/26/65/65/451266565.db2.gz MEOLZSJJARKEMC-ZWKOTPCHSA-N 2 1 332.492 1.436 20 0 EDADMP C[C@H](O)CN1CCN(C(=O)C[C@@H](n2ccnc2)C(F)(F)F)[C@@H](C)C1 ZINC000635818835 451266842 /nfs/dbraw/zinc/26/68/42/451266842.db2.gz MRJUUIJBRHSHDY-RWMBFGLXSA-N 2 1 348.369 1.290 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)CC(C)C ZINC000636524246 451267003 /nfs/dbraw/zinc/26/70/03/451267003.db2.gz IEHJFYUMMUTTDN-JKSUJKDBSA-N 2 1 328.501 1.109 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000638103069 451270732 /nfs/dbraw/zinc/27/07/32/451270732.db2.gz YZCIZHDIGLDKBW-OALUTQOASA-N 2 1 344.503 1.533 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638103491 451271075 /nfs/dbraw/zinc/27/10/75/451271075.db2.gz OWIHFCDTMMQPNP-SZVBFZGTSA-N 2 1 331.460 1.534 20 0 EDADMP [NH3+][C@H](c1cn(C[C@H]2C[NH2+]CCO2)nn1)c1ccc(Cl)cc1F ZINC000630616108 451277850 /nfs/dbraw/zinc/27/78/50/451277850.db2.gz FYRGPYMGVKPVGL-YGRLFVJLSA-N 2 1 325.775 1.107 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638125689 451295804 /nfs/dbraw/zinc/29/58/04/451295804.db2.gz GIAPTFXOAHFYCL-RBUKOAKNSA-N 2 1 346.519 1.779 20 0 EDADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638125689 451295806 /nfs/dbraw/zinc/29/58/06/451295806.db2.gz GIAPTFXOAHFYCL-RBUKOAKNSA-N 2 1 346.519 1.779 20 0 EDADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638125689 451295810 /nfs/dbraw/zinc/29/58/10/451295810.db2.gz GIAPTFXOAHFYCL-RBUKOAKNSA-N 2 1 346.519 1.779 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638127218 451296744 /nfs/dbraw/zinc/29/67/44/451296744.db2.gz IJGPZGREGSAZBH-LLVKDONJSA-N 2 1 344.410 1.212 20 0 EDADMP COC[C@]1(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638127540 451298946 /nfs/dbraw/zinc/29/89/46/451298946.db2.gz CNXIKYBOQZYNKY-KPFFTGBYSA-N 2 1 345.487 1.924 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638131693 451303142 /nfs/dbraw/zinc/30/31/42/451303142.db2.gz AKPAKLWTXUUIFY-FHLIZLRMSA-N 2 1 330.476 1.045 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638131693 451303149 /nfs/dbraw/zinc/30/31/49/451303149.db2.gz AKPAKLWTXUUIFY-FHLIZLRMSA-N 2 1 330.476 1.045 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638131693 451303155 /nfs/dbraw/zinc/30/31/55/451303155.db2.gz AKPAKLWTXUUIFY-FHLIZLRMSA-N 2 1 330.476 1.045 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000636563322 451305361 /nfs/dbraw/zinc/30/53/61/451305361.db2.gz RTMBFFWGGQLHRV-ZACQAIPSSA-N 2 1 340.512 1.110 20 0 EDADMP CC(=O)NCC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634644685 451438858 /nfs/dbraw/zinc/43/88/58/451438858.db2.gz ZKRIAZYHBCUDQN-FQEVSTJZSA-N 2 1 345.487 1.472 20 0 EDADMP CC(=O)NCC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634644685 451438863 /nfs/dbraw/zinc/43/88/63/451438863.db2.gz ZKRIAZYHBCUDQN-FQEVSTJZSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@H](NC(=O)c1cnc(C[NH3+])nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638309593 451422786 /nfs/dbraw/zinc/42/27/86/451422786.db2.gz SEAJZFDLTXYYFM-GOEBONIOSA-N 2 1 339.443 1.576 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634642131 451433982 /nfs/dbraw/zinc/43/39/82/451433982.db2.gz FLBUNVPSKUPDRN-BBWFWOEESA-N 2 1 328.497 1.237 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)NC[C@H]3CCC[N@@H+](C)C3)cn2)CC1 ZINC000636756419 451478590 /nfs/dbraw/zinc/47/85/90/451478590.db2.gz VMMHKNXROOGOKI-CQSZACIVSA-N 2 1 334.468 1.613 20 0 EDADMP O[C@]1(CN[C@@H]2CC[N@@H+](CC3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634704984 451481332 /nfs/dbraw/zinc/48/13/32/451481332.db2.gz SQAJAOJNBQLPDW-UXHICEINSA-N 2 1 329.488 1.697 20 0 EDADMP O[C@]1(CN[C@@H]2CC[NH+](CC3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704984 451481338 /nfs/dbraw/zinc/48/13/38/451481338.db2.gz SQAJAOJNBQLPDW-UXHICEINSA-N 2 1 329.488 1.697 20 0 EDADMP O[C@]1(CN[C@@H]2CC[NH+](CC3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704984 451481343 /nfs/dbraw/zinc/48/13/43/451481343.db2.gz SQAJAOJNBQLPDW-UXHICEINSA-N 2 1 329.488 1.697 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000634710998 451490145 /nfs/dbraw/zinc/49/01/45/451490145.db2.gz HSNBPNUOEDSZMY-XYJFISCASA-N 2 1 340.508 1.522 20 0 EDADMP OCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000634721101 451501234 /nfs/dbraw/zinc/50/12/34/451501234.db2.gz UGKYLWJSUKYXEA-VQTJNVASSA-N 2 1 348.487 1.391 20 0 EDADMP OCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000634721101 451501242 /nfs/dbraw/zinc/50/12/42/451501242.db2.gz UGKYLWJSUKYXEA-VQTJNVASSA-N 2 1 348.487 1.391 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCNC(=O)C3)c2)CCO1 ZINC000638419058 451504108 /nfs/dbraw/zinc/50/41/08/451504108.db2.gz FFGKFQXTIGXQLE-YJBOKZPZSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCNC(=O)C3)c2)CCO1 ZINC000638419058 451504115 /nfs/dbraw/zinc/50/41/15/451504115.db2.gz FFGKFQXTIGXQLE-YJBOKZPZSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000634724051 451504299 /nfs/dbraw/zinc/50/42/99/451504299.db2.gz IUATYCKMSXCCBC-MISYRCLQSA-N 3 1 331.504 1.801 20 0 EDADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638419334 451504451 /nfs/dbraw/zinc/50/44/51/451504451.db2.gz HADBNYWEABTUDY-IEBWSBKVSA-N 2 1 346.519 1.682 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638431204 451510832 /nfs/dbraw/zinc/51/08/32/451510832.db2.gz RZDJHTOPPMHYGO-GOSISDBHSA-N 3 1 346.519 1.860 20 0 EDADMP CCC[C@H](C)C(=O)NCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715082 451495810 /nfs/dbraw/zinc/49/58/10/451495810.db2.gz XBZQODJOEXNQQH-PXNSSMCTSA-N 2 1 347.503 1.765 20 0 EDADMP CCC[C@H](C)C(=O)NCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715082 451495814 /nfs/dbraw/zinc/49/58/14/451495814.db2.gz XBZQODJOEXNQQH-PXNSSMCTSA-N 2 1 347.503 1.765 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638512487 451552763 /nfs/dbraw/zinc/55/27/63/451552763.db2.gz GOFCOJQLQPEZIU-OALUTQOASA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000636238812 451610378 /nfs/dbraw/zinc/61/03/78/451610378.db2.gz RXCMVMKKRJRHBQ-KRWDZBQOSA-N 2 1 337.508 1.583 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000638834000 451705691 /nfs/dbraw/zinc/70/56/91/451705691.db2.gz BYNFPGFUVQECDP-NXHRZFHOSA-N 2 1 331.460 1.249 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N[C@H]2Cc3cncn3C2)CC[N@H+]1Cc1ccccc1 ZINC000637150643 451741515 /nfs/dbraw/zinc/74/15/15/451741515.db2.gz PVMRDBGSFQLMIW-UWWQBHOKSA-N 2 1 339.443 1.770 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccn(C4CCCC4)n3)nn2)CC1 ZINC000641063731 451744085 /nfs/dbraw/zinc/74/40/85/451744085.db2.gz KSWPFICAOMEKDM-UHFFFAOYSA-N 2 1 343.479 1.604 20 0 EDADMP [NH3+][C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccc(F)cc1F ZINC000638986012 451746521 /nfs/dbraw/zinc/74/65/21/451746521.db2.gz RQSQVPWSCCUUPB-INIZCTEOSA-N 2 1 347.369 1.408 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CSCC[NH2+]3)C2)cc1 ZINC000639006795 451751836 /nfs/dbraw/zinc/75/18/36/451751836.db2.gz ZCVYVPWAFCPKRP-SJORKVTESA-N 2 1 333.501 1.781 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000637264539 451773826 /nfs/dbraw/zinc/77/38/26/451773826.db2.gz KXMDDZKCJDJGIV-VBQJREDUSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000637264539 451773828 /nfs/dbraw/zinc/77/38/28/451773828.db2.gz KXMDDZKCJDJGIV-VBQJREDUSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[N@H+](C)CCC[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000639288753 451809458 /nfs/dbraw/zinc/80/94/58/451809458.db2.gz IVLBFAYSFQFJIQ-UHFFFAOYSA-N 2 1 333.542 1.804 20 0 EDADMP CC(C)C[N@@H+](C)CCC[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000639288753 451809463 /nfs/dbraw/zinc/80/94/63/451809463.db2.gz IVLBFAYSFQFJIQ-UHFFFAOYSA-N 2 1 333.542 1.804 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000651412868 451810557 /nfs/dbraw/zinc/81/05/57/451810557.db2.gz GCKNSJFIQXQGGV-NXHRZFHOSA-N 2 1 337.508 1.534 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)N2CCC[NH+](C)CC2)cc1 ZINC000637387822 451817744 /nfs/dbraw/zinc/81/77/44/451817744.db2.gz UMEZYLLZYSKEEU-KRWDZBQOSA-N 2 1 346.475 1.617 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)N2CCC[NH+](C)CC2)cc1 ZINC000637387822 451817745 /nfs/dbraw/zinc/81/77/45/451817745.db2.gz UMEZYLLZYSKEEU-KRWDZBQOSA-N 2 1 346.475 1.617 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000637387822 451817746 /nfs/dbraw/zinc/81/77/46/451817746.db2.gz UMEZYLLZYSKEEU-KRWDZBQOSA-N 2 1 346.475 1.617 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000637387822 451817747 /nfs/dbraw/zinc/81/77/47/451817747.db2.gz UMEZYLLZYSKEEU-KRWDZBQOSA-N 2 1 346.475 1.617 20 0 EDADMP CO[C@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@H]1CCOC1 ZINC000639310946 451820744 /nfs/dbraw/zinc/82/07/44/451820744.db2.gz ZNSIOOIUZREJRT-GBESFXJTSA-N 2 1 334.460 1.394 20 0 EDADMP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000644526262 451841594 /nfs/dbraw/zinc/84/15/94/451841594.db2.gz RNJQZGDAHWFCIQ-KRWDZBQOSA-N 2 1 331.416 1.814 20 0 EDADMP CN(CCN1CCCC1)S(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000641321693 451845255 /nfs/dbraw/zinc/84/52/55/451845255.db2.gz YPLCPBRMNARSHK-UHFFFAOYSA-N 2 1 337.489 1.391 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCOC3(CC[NH+](C)CC3)C1)C2 ZINC000649129045 451862662 /nfs/dbraw/zinc/86/26/62/451862662.db2.gz JYRUYCLEWXRNPL-HNNXBMFYSA-N 2 1 332.448 1.077 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1cn2c(n1)SCC2 ZINC000644623592 451901196 /nfs/dbraw/zinc/90/11/96/451901196.db2.gz KOXYSLPPBZVKCM-KRWDZBQOSA-N 2 1 346.500 1.614 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1cn2c(n1)SCC2 ZINC000644623592 451901203 /nfs/dbraw/zinc/90/12/03/451901203.db2.gz KOXYSLPPBZVKCM-KRWDZBQOSA-N 2 1 346.500 1.614 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653408352 451921126 /nfs/dbraw/zinc/92/11/26/451921126.db2.gz KCYZAZMEMSPUIL-UHFFFAOYSA-N 2 1 349.479 1.032 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2C[NH2+]CCOC2)cc1 ZINC000649288496 451963058 /nfs/dbraw/zinc/96/30/58/451963058.db2.gz VHVSVYUVEHWHRA-VQIMIIECSA-N 2 1 345.487 1.913 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000649299301 451976982 /nfs/dbraw/zinc/97/69/82/451976982.db2.gz GTTCVWZLIIVFOI-HUUCEWRRSA-N 2 1 330.432 1.073 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000649299301 451976984 /nfs/dbraw/zinc/97/69/84/451976984.db2.gz GTTCVWZLIIVFOI-HUUCEWRRSA-N 2 1 330.432 1.073 20 0 EDADMP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000649305685 451981496 /nfs/dbraw/zinc/98/14/96/451981496.db2.gz ZNXDLCSZCURTRX-KZNAEPCWSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000649307550 451985081 /nfs/dbraw/zinc/98/50/81/451985081.db2.gz ZSBZEYORXAOGNU-ZNMIVQPWSA-N 2 1 348.495 1.299 20 0 EDADMP COCCC1(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC[NH2+]CC1 ZINC000649310095 451988355 /nfs/dbraw/zinc/98/83/55/451988355.db2.gz PGKAJIGHMDPLCY-MRXNPFEDSA-N 2 1 325.497 1.629 20 0 EDADMP CC1(OCC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[NH2+]C1 ZINC000649310564 451988513 /nfs/dbraw/zinc/98/85/13/451988513.db2.gz URRNKPNGYDIDLF-KRWDZBQOSA-N 2 1 331.460 1.046 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000649321955 452002473 /nfs/dbraw/zinc/00/24/73/452002473.db2.gz ZJCLKTNNSHTKDR-NXHRZFHOSA-N 2 1 331.460 1.392 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(N)CC[NH+](C)C1 ZINC000649345411 452025684 /nfs/dbraw/zinc/02/56/84/452025684.db2.gz ZNPKJQKNNMBQKA-AZUAARDMSA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@]1(N)CC[N@H+](C)C1 ZINC000649345411 452025688 /nfs/dbraw/zinc/02/56/88/452025688.db2.gz ZNPKJQKNNMBQKA-AZUAARDMSA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@]1(N)CC[N@@H+](C)C1 ZINC000649345411 452025694 /nfs/dbraw/zinc/02/56/94/452025694.db2.gz ZNPKJQKNNMBQKA-AZUAARDMSA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1([NH3+])CCN(C)C1 ZINC000649345411 452025699 /nfs/dbraw/zinc/02/56/99/452025699.db2.gz ZNPKJQKNNMBQKA-AZUAARDMSA-N 2 1 344.503 1.390 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1([NH3+])CCN(C)C1 ZINC000649345411 452025703 /nfs/dbraw/zinc/02/57/03/452025703.db2.gz ZNPKJQKNNMBQKA-AZUAARDMSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649346065 452027943 /nfs/dbraw/zinc/02/79/43/452027943.db2.gz YDXXEEZIWAXGRC-HOTGVXAUSA-N 2 1 347.459 1.582 20 0 EDADMP CC(C)([NH3+])CCC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000649351201 452036175 /nfs/dbraw/zinc/03/61/75/452036175.db2.gz ZOHBDONYARQJMF-UHFFFAOYSA-N 2 1 346.519 1.828 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000649362741 452042771 /nfs/dbraw/zinc/04/27/71/452042771.db2.gz GLYMFEUXWMFMCV-HKUYNNGSSA-N 2 1 342.487 1.894 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000649362741 452042778 /nfs/dbraw/zinc/04/27/78/452042778.db2.gz GLYMFEUXWMFMCV-HKUYNNGSSA-N 2 1 342.487 1.894 20 0 EDADMP CCC[N@@H+](C)CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094364 452057192 /nfs/dbraw/zinc/05/71/92/452057192.db2.gz ZNJLMGVXRYTPBD-UHFFFAOYSA-N 2 1 347.507 1.925 20 0 EDADMP CCC[N@H+](C)CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000647094364 452057203 /nfs/dbraw/zinc/05/72/03/452057203.db2.gz ZNJLMGVXRYTPBD-UHFFFAOYSA-N 2 1 347.507 1.925 20 0 EDADMP CCC[N@@H+](C)CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000647094364 452057209 /nfs/dbraw/zinc/05/72/09/452057209.db2.gz ZNJLMGVXRYTPBD-UHFFFAOYSA-N 2 1 347.507 1.925 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649417908 452079453 /nfs/dbraw/zinc/07/94/53/452079453.db2.gz NVGTZNROTSXQAD-IRXDYDNUSA-N 3 1 348.535 1.441 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417925 452079704 /nfs/dbraw/zinc/07/97/04/452079704.db2.gz OKPKSSZBEHSIJB-RCCFBDPRSA-N 2 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417925 452079710 /nfs/dbraw/zinc/07/97/10/452079710.db2.gz OKPKSSZBEHSIJB-RCCFBDPRSA-N 3 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417925 452079713 /nfs/dbraw/zinc/07/97/13/452079713.db2.gz OKPKSSZBEHSIJB-RCCFBDPRSA-N 3 1 336.524 1.251 20 0 EDADMP COC[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCCC[NH2+]1 ZINC000637798525 452089155 /nfs/dbraw/zinc/08/91/55/452089155.db2.gz HSOROXMFIYROTO-HXUWFJFHSA-N 2 1 345.487 1.880 20 0 EDADMP CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637827065 452104326 /nfs/dbraw/zinc/10/43/26/452104326.db2.gz MYODZOJDUAOHFS-PKOBYXMFSA-N 2 1 331.460 1.251 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000637833333 452106562 /nfs/dbraw/zinc/10/65/62/452106562.db2.gz RZEGMGHBCXCMEE-MSOLQXFVSA-N 2 1 326.444 1.262 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000639769258 452111856 /nfs/dbraw/zinc/11/18/56/452111856.db2.gz WPRHHCPLAQEAHT-SJORKVTESA-N 2 1 326.868 1.632 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000639769258 452111860 /nfs/dbraw/zinc/11/18/60/452111860.db2.gz WPRHHCPLAQEAHT-SJORKVTESA-N 2 1 326.868 1.632 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000649517999 452120936 /nfs/dbraw/zinc/12/09/36/452120936.db2.gz NQYSXWMJHCPPLV-MSOLQXFVSA-N 2 1 333.476 1.138 20 0 EDADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000649517999 452120940 /nfs/dbraw/zinc/12/09/40/452120940.db2.gz NQYSXWMJHCPPLV-MSOLQXFVSA-N 2 1 333.476 1.138 20 0 EDADMP CC(C)C[C@H]([NH2+][C@@H](C)c1cc2n(n1)CCCC2)C(=O)NCC[NH+](C)C ZINC000647297610 452170130 /nfs/dbraw/zinc/17/01/30/452170130.db2.gz OUSUNPGDDPWUJD-YJBOKZPZSA-N 2 1 349.523 1.963 20 0 EDADMP C[NH+](C)CCC1CC[NH+](Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000637965895 452211150 /nfs/dbraw/zinc/21/11/50/452211150.db2.gz XFLSWIGMIOINPZ-UHFFFAOYSA-N 2 1 331.507 1.559 20 0 EDADMP CC[C@@H](O)CCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637970030 452216612 /nfs/dbraw/zinc/21/66/12/452216612.db2.gz CPVIZXLWMHIGQQ-QGZVFWFLSA-N 2 1 333.476 1.647 20 0 EDADMP CN(CCCC[NH+]1CCCCC1)C(=O)NCCC[NH+]1CCOCC1 ZINC000641734028 452226798 /nfs/dbraw/zinc/22/67/98/452226798.db2.gz AAPRWCKCMOCWHS-UHFFFAOYSA-N 2 1 340.512 1.616 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480540 452226860 /nfs/dbraw/zinc/22/68/60/452226860.db2.gz QORKIAMUEXBLPC-WMZOPIPTSA-N 2 1 347.507 1.529 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480540 452226867 /nfs/dbraw/zinc/22/68/67/452226867.db2.gz QORKIAMUEXBLPC-WMZOPIPTSA-N 2 1 347.507 1.529 20 0 EDADMP CO[C@]1(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCOC1 ZINC000637984700 452228550 /nfs/dbraw/zinc/22/85/50/452228550.db2.gz KQBXJILKBIXJRC-KSZLIROESA-N 2 1 325.497 1.282 20 0 EDADMP CCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nc1 ZINC000647509502 452246540 /nfs/dbraw/zinc/24/65/40/452246540.db2.gz HCTNZSWSRCSWQX-MAUKXSAKSA-N 2 1 346.475 1.561 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(C)CC2C[NH+](C)C2)C[C@H](C)O1 ZINC000663543065 452247973 /nfs/dbraw/zinc/24/79/73/452247973.db2.gz IMSWILFOWVPQDJ-OKILXGFUSA-N 2 1 326.485 1.077 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)CC2C[NH+](C)C2)C[C@H](C)O1 ZINC000663543065 452247982 /nfs/dbraw/zinc/24/79/82/452247982.db2.gz IMSWILFOWVPQDJ-OKILXGFUSA-N 2 1 326.485 1.077 20 0 EDADMP c1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nnn1Cc1cccnc1 ZINC000647543287 452275616 /nfs/dbraw/zinc/27/56/16/452275616.db2.gz KORXOWFABMDVRM-ROUUACIJSA-N 2 1 340.475 1.933 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)N2CCc3[nH]c4ccccc4c3C2)C[C@@H]1[NH3+] ZINC000641804164 452279574 /nfs/dbraw/zinc/27/95/74/452279574.db2.gz IXMBTHXZPBRKSU-DLBZAZTESA-N 2 1 326.444 1.768 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000641806454 452286582 /nfs/dbraw/zinc/28/65/82/452286582.db2.gz PNTCJUSHTZGSKM-OAGGEKHMSA-N 2 1 335.423 1.441 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000641807877 452287598 /nfs/dbraw/zinc/28/75/98/452287598.db2.gz SLUIVMQXOQPGDD-STQMWFEESA-N 2 1 327.375 1.620 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641808937 452288169 /nfs/dbraw/zinc/28/81/69/452288169.db2.gz VCNIHXIYKGHLAD-DLBZAZTESA-N 2 1 349.475 1.768 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000659442541 452291014 /nfs/dbraw/zinc/29/10/14/452291014.db2.gz JEWXXKBWDQDULO-LSDHHAIUSA-N 2 1 334.464 1.314 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000659442541 452291020 /nfs/dbraw/zinc/29/10/20/452291020.db2.gz JEWXXKBWDQDULO-LSDHHAIUSA-N 2 1 334.464 1.314 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643546728 452306767 /nfs/dbraw/zinc/30/67/67/452306767.db2.gz TXBOKWCBTJLKIX-ZFWWWQNUSA-N 2 1 337.489 1.920 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCSCC[C@H]1C ZINC000665761769 452334983 /nfs/dbraw/zinc/33/49/83/452334983.db2.gz PKPMCHQQJCYXEC-LSDHHAIUSA-N 2 1 330.542 1.795 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCSCC[C@H]1C ZINC000665761769 452334987 /nfs/dbraw/zinc/33/49/87/452334987.db2.gz PKPMCHQQJCYXEC-LSDHHAIUSA-N 2 1 330.542 1.795 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@]1(C)CCCO ZINC000665761727 452335751 /nfs/dbraw/zinc/33/57/51/452335751.db2.gz OBIHQPQOMUUNPH-FUHWJXTLSA-N 2 1 342.528 1.595 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@]1(C)CCCO ZINC000665761727 452335758 /nfs/dbraw/zinc/33/57/58/452335758.db2.gz OBIHQPQOMUUNPH-FUHWJXTLSA-N 2 1 342.528 1.595 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000659480447 452338107 /nfs/dbraw/zinc/33/81/07/452338107.db2.gz LVXBWMVWENAYEC-MORSLUCNSA-N 2 1 346.475 1.880 20 0 EDADMP Cc1c(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cnn1C ZINC000665762669 452338733 /nfs/dbraw/zinc/33/87/33/452338733.db2.gz MENGNEZSOJXTLU-AWEZNQCLSA-N 2 1 338.500 1.142 20 0 EDADMP Cc1c(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cnn1C ZINC000665762669 452338745 /nfs/dbraw/zinc/33/87/45/452338745.db2.gz MENGNEZSOJXTLU-AWEZNQCLSA-N 2 1 338.500 1.142 20 0 EDADMP C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659480421 452339209 /nfs/dbraw/zinc/33/92/09/452339209.db2.gz LQOPPHIAKSVYOH-VHJHTJHASA-N 2 1 342.487 1.948 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000659480441 452339281 /nfs/dbraw/zinc/33/92/81/452339281.db2.gz LVXBWMVWENAYEC-DOPJRALCSA-N 2 1 346.475 1.880 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652148749 452342913 /nfs/dbraw/zinc/34/29/13/452342913.db2.gz FHVQNADQVSQDPK-GFCCVEGCSA-N 2 1 333.411 1.925 20 0 EDADMP O=C(NCCC[NH2+]C1CC1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659506287 452371252 /nfs/dbraw/zinc/37/12/52/452371252.db2.gz ODPGRALVADTONE-HZPDHXFCSA-N 2 1 336.480 1.071 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652193739 452392582 /nfs/dbraw/zinc/39/25/82/452392582.db2.gz TZEVVGLZKAQEDR-QAETUUGQSA-N 2 1 340.512 1.643 20 0 EDADMP [NH3+]Cc1ncc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000638080081 452395121 /nfs/dbraw/zinc/39/51/21/452395121.db2.gz LEYOKUPHZAAQTO-INIZCTEOSA-N 2 1 339.443 1.577 20 0 EDADMP C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[NH2+]CCO1 ZINC000638079433 452396119 /nfs/dbraw/zinc/39/61/19/452396119.db2.gz DUXJWOPXFNAREK-MJGOQNOKSA-N 2 1 331.460 1.393 20 0 EDADMP O=C1CC[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC[C@H]2N1 ZINC000661595781 452397541 /nfs/dbraw/zinc/39/75/41/452397541.db2.gz DXLBWMYRWQDHFZ-RTBURBONSA-N 2 1 343.471 1.619 20 0 EDADMP O=C1CC[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC[C@H]2N1 ZINC000661595781 452397550 /nfs/dbraw/zinc/39/75/50/452397550.db2.gz DXLBWMYRWQDHFZ-RTBURBONSA-N 2 1 343.471 1.619 20 0 EDADMP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000652202376 452400505 /nfs/dbraw/zinc/40/05/05/452400505.db2.gz IRUUSSAKBOIZLD-YTQUADARSA-N 2 1 344.503 1.943 20 0 EDADMP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000652202376 452400510 /nfs/dbraw/zinc/40/05/10/452400510.db2.gz IRUUSSAKBOIZLD-YTQUADARSA-N 2 1 344.503 1.943 20 0 EDADMP [NH3+]CC1(CCNC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000652243619 452428180 /nfs/dbraw/zinc/42/81/80/452428180.db2.gz AIYTZSXHQOBCOJ-UHFFFAOYSA-N 2 1 330.476 1.685 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCCC2(C[NH3+])CC2)C[C@@H](C)O1 ZINC000652242044 452429099 /nfs/dbraw/zinc/42/90/99/452429099.db2.gz PNUZCSHZXPVPNZ-BZUAXINKSA-N 2 1 338.496 1.399 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645507473 452475289 /nfs/dbraw/zinc/47/52/89/452475289.db2.gz ODQLIARVPKNYMY-GOSISDBHSA-N 2 1 344.503 1.438 20 0 EDADMP CC[NH+]1CCN(c2cnc(N3CC[N@H+](CC)[C@H](C)C3)cn2)C[C@H]1C ZINC000663744824 452476798 /nfs/dbraw/zinc/47/67/98/452476798.db2.gz QFAZPZCGAQFJIG-HZPDHXFCSA-N 2 1 332.496 1.537 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645512471 452480417 /nfs/dbraw/zinc/48/04/17/452480417.db2.gz HVOQVZKHGAQCAJ-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000659624509 452481900 /nfs/dbraw/zinc/48/19/00/452481900.db2.gz VFPHHLBORBSJFZ-DLBZAZTESA-N 2 1 339.528 1.171 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000659633019 452497949 /nfs/dbraw/zinc/49/79/49/452497949.db2.gz AHWHXYWAYGWYEW-APWZRJJASA-N 2 1 330.476 1.902 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CCF)C2)C1 ZINC000661694979 452499495 /nfs/dbraw/zinc/49/94/95/452499495.db2.gz LFXAYZXTFVNBDZ-DLBZAZTESA-N 2 1 343.487 1.531 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H](CCF)C2)C1 ZINC000661694979 452499501 /nfs/dbraw/zinc/49/95/01/452499501.db2.gz LFXAYZXTFVNBDZ-DLBZAZTESA-N 2 1 343.487 1.531 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H](CCF)C2)C1 ZINC000661694979 452499509 /nfs/dbraw/zinc/49/95/09/452499509.db2.gz LFXAYZXTFVNBDZ-DLBZAZTESA-N 2 1 343.487 1.531 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)CCO2 ZINC000645545469 452513088 /nfs/dbraw/zinc/51/30/88/452513088.db2.gz SNSZJSBVSNZQDK-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000663784021 452513419 /nfs/dbraw/zinc/51/34/19/452513419.db2.gz LAVSOSOYRVARST-UBDQQSCGSA-N 2 1 346.475 1.138 20 0 EDADMP c1cc2c(cc1CC[NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)OCCO2 ZINC000655690357 452513509 /nfs/dbraw/zinc/51/35/09/452513509.db2.gz MOTPUKUSCHMUID-KRWDZBQOSA-N 2 1 332.444 1.843 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654452447 452517966 /nfs/dbraw/zinc/51/79/66/452517966.db2.gz SCYYXXONSXPJFI-PNBKFKSVSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654452447 452517973 /nfs/dbraw/zinc/51/79/73/452517973.db2.gz SCYYXXONSXPJFI-PNBKFKSVSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654452447 452517979 /nfs/dbraw/zinc/51/79/79/452517979.db2.gz SCYYXXONSXPJFI-PNBKFKSVSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654452447 452517986 /nfs/dbraw/zinc/51/79/86/452517986.db2.gz SCYYXXONSXPJFI-PNBKFKSVSA-N 2 1 338.496 1.268 20 0 EDADMP COc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346147 452519248 /nfs/dbraw/zinc/51/92/48/452519248.db2.gz UTXXEYQPPZJIHT-RLFYNMQTSA-N 2 1 347.459 1.852 20 0 EDADMP COc1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346147 452519254 /nfs/dbraw/zinc/51/92/54/452519254.db2.gz UTXXEYQPPZJIHT-RLFYNMQTSA-N 2 1 347.459 1.852 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)NCc3cccs3)C2)C1 ZINC000652345958 452519779 /nfs/dbraw/zinc/51/97/79/452519779.db2.gz PYUFGGZWEUQLFX-LZWOXQAQSA-N 2 1 337.489 1.583 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663790440 452520985 /nfs/dbraw/zinc/52/09/85/452520985.db2.gz BMCWETOUWGAYLK-SJORKVTESA-N 2 1 341.544 1.290 20 0 EDADMP Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652348476 452522769 /nfs/dbraw/zinc/52/27/69/452522769.db2.gz FKLFFIFYWPSTKN-IPMKNSEASA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458029 452523134 /nfs/dbraw/zinc/52/31/34/452523134.db2.gz XDEDPBQNQTZYJO-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458029 452523138 /nfs/dbraw/zinc/52/31/38/452523138.db2.gz XDEDPBQNQTZYJO-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458029 452523145 /nfs/dbraw/zinc/52/31/45/452523145.db2.gz XDEDPBQNQTZYJO-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654458029 452523152 /nfs/dbraw/zinc/52/31/52/452523152.db2.gz XDEDPBQNQTZYJO-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347112 452523953 /nfs/dbraw/zinc/52/39/53/452523953.db2.gz RUDGFSBRJVALCC-OTWHNJEPSA-N 2 1 345.487 1.830 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)N[C@@H]1CCOc3ccccc31)C2 ZINC000652350798 452526911 /nfs/dbraw/zinc/52/69/11/452526911.db2.gz JYNBWWYMPKCQMD-GMBSWORKSA-N 2 1 329.444 1.687 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)N[C@@H]1CCOc3ccccc31)C2 ZINC000652350798 452526919 /nfs/dbraw/zinc/52/69/19/452526919.db2.gz JYNBWWYMPKCQMD-GMBSWORKSA-N 2 1 329.444 1.687 20 0 EDADMP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351526 452529920 /nfs/dbraw/zinc/52/99/20/452529920.db2.gz CPFWEOQMYGEMFI-PXNSSMCTSA-N 2 1 345.487 1.975 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655710785 452529838 /nfs/dbraw/zinc/52/98/38/452529838.db2.gz FGEWLMPGZBQQKA-OALUTQOASA-N 2 1 339.524 1.456 20 0 EDADMP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655710785 452529846 /nfs/dbraw/zinc/52/98/46/452529846.db2.gz FGEWLMPGZBQQKA-OALUTQOASA-N 3 1 339.524 1.456 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655710785 452529859 /nfs/dbraw/zinc/52/98/59/452529859.db2.gz FGEWLMPGZBQQKA-OALUTQOASA-N 3 1 339.524 1.456 20 0 EDADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H](C)N1CCOCC1 ZINC000655711956 452529961 /nfs/dbraw/zinc/52/99/61/452529961.db2.gz KOJCQMJIZTYFQM-XYJFISCASA-N 2 1 325.497 1.329 20 0 EDADMP CN(CCCOc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351526 452529925 /nfs/dbraw/zinc/52/99/25/452529925.db2.gz CPFWEOQMYGEMFI-PXNSSMCTSA-N 2 1 345.487 1.975 20 0 EDADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000647805835 452536560 /nfs/dbraw/zinc/53/65/60/452536560.db2.gz GHORYJGYFSXNFX-UHFFFAOYSA-N 2 1 343.471 1.687 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482040 452551261 /nfs/dbraw/zinc/55/12/61/452551261.db2.gz VZHVSYBEPOPJDU-NPJQDHAYSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482040 452551273 /nfs/dbraw/zinc/55/12/73/452551273.db2.gz VZHVSYBEPOPJDU-NPJQDHAYSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482040 452551281 /nfs/dbraw/zinc/55/12/81/452551281.db2.gz VZHVSYBEPOPJDU-NPJQDHAYSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482040 452551293 /nfs/dbraw/zinc/55/12/93/452551293.db2.gz VZHVSYBEPOPJDU-NPJQDHAYSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000657888937 452593702 /nfs/dbraw/zinc/59/37/02/452593702.db2.gz SEERHYNTKINSIX-BPQIPLTHSA-N 2 1 329.448 1.139 20 0 EDADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000657888937 452593711 /nfs/dbraw/zinc/59/37/11/452593711.db2.gz SEERHYNTKINSIX-BPQIPLTHSA-N 2 1 329.448 1.139 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659721494 452612468 /nfs/dbraw/zinc/61/24/68/452612468.db2.gz GWJXMRYJHROKJN-GJZGRUSLSA-N 2 1 338.496 1.143 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C[C@@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000647884401 452622720 /nfs/dbraw/zinc/62/27/20/452622720.db2.gz LSVBLLIXKLKWDV-SJLPKXTDSA-N 2 1 349.475 1.705 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc2c(c1)CCO2 ZINC000663909530 452636218 /nfs/dbraw/zinc/63/62/18/452636218.db2.gz LRQUHZYOBKJKAP-HNNXBMFYSA-N 2 1 348.491 1.693 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc2c(c1)CCO2 ZINC000663909530 452636228 /nfs/dbraw/zinc/63/62/28/452636228.db2.gz LRQUHZYOBKJKAP-HNNXBMFYSA-N 2 1 348.491 1.693 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NCCC[N@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000655912294 452669290 /nfs/dbraw/zinc/66/92/90/452669290.db2.gz MSEKVIVEUWQTTE-CQSZACIVSA-N 2 1 344.381 1.624 20 0 EDADMP [NH3+]C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(F)(F)F ZINC000655916623 452677520 /nfs/dbraw/zinc/67/75/20/452677520.db2.gz FHKSIQFOFNMTOT-KGLIPLIRSA-N 2 1 344.381 1.840 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000655921272 452684709 /nfs/dbraw/zinc/68/47/09/452684709.db2.gz NEIPATVCWVQPAG-BNOWGMLFSA-N 2 1 344.381 1.838 20 0 EDADMP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000647962087 452704376 /nfs/dbraw/zinc/70/43/76/452704376.db2.gz MRAUMHRQCJCWCM-QKWWCAPFSA-N 2 1 347.503 1.257 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000647962087 452704388 /nfs/dbraw/zinc/70/43/88/452704388.db2.gz MRAUMHRQCJCWCM-QKWWCAPFSA-N 2 1 347.503 1.257 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649252 452742294 /nfs/dbraw/zinc/74/22/94/452742294.db2.gz ACXOUMVJEQJRNC-PNBKFKSVSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649252 452742305 /nfs/dbraw/zinc/74/23/05/452742305.db2.gz ACXOUMVJEQJRNC-PNBKFKSVSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649252 452742312 /nfs/dbraw/zinc/74/23/12/452742312.db2.gz ACXOUMVJEQJRNC-PNBKFKSVSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649252 452742323 /nfs/dbraw/zinc/74/23/23/452742323.db2.gz ACXOUMVJEQJRNC-PNBKFKSVSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H](CNC(=O)NCC1([NH3+])CCCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655960919 452744024 /nfs/dbraw/zinc/74/40/24/452744024.db2.gz DDNAYPPGTIPMFF-OAGGEKHMSA-N 2 1 340.512 1.835 20 0 EDADMP C[C@H](CNC(=O)NCC1([NH3+])CCCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655960919 452744031 /nfs/dbraw/zinc/74/40/31/452744031.db2.gz DDNAYPPGTIPMFF-OAGGEKHMSA-N 2 1 340.512 1.835 20 0 EDADMP C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969915 452750452 /nfs/dbraw/zinc/75/04/52/452750452.db2.gz DEKOBCIPDHQEDQ-QNGFNYMWSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969915 452750458 /nfs/dbraw/zinc/75/04/58/452750458.db2.gz DEKOBCIPDHQEDQ-QNGFNYMWSA-N 2 1 338.496 1.409 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970726 452751371 /nfs/dbraw/zinc/75/13/71/452751371.db2.gz KPLDDAGHTGRITC-ARKGTOAJSA-N 2 1 326.485 1.395 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970726 452751377 /nfs/dbraw/zinc/75/13/77/452751377.db2.gz KPLDDAGHTGRITC-ARKGTOAJSA-N 2 1 326.485 1.395 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971245 452751720 /nfs/dbraw/zinc/75/17/20/452751720.db2.gz XWMZXMOXDVENND-KOWPAETKSA-N 2 1 338.496 1.253 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971245 452751725 /nfs/dbraw/zinc/75/17/25/452751725.db2.gz XWMZXMOXDVENND-KOWPAETKSA-N 2 1 338.496 1.253 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000645754129 452758642 /nfs/dbraw/zinc/75/86/42/452758642.db2.gz ORXICOVLKNNYMF-SIZVQLJJSA-N 2 1 349.519 1.722 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000664077242 452770321 /nfs/dbraw/zinc/77/03/21/452770321.db2.gz OXOHYKJIZMAYPT-IRXDYDNUSA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664077242 452770327 /nfs/dbraw/zinc/77/03/27/452770327.db2.gz OXOHYKJIZMAYPT-IRXDYDNUSA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664077242 452770336 /nfs/dbraw/zinc/77/03/36/452770336.db2.gz OXOHYKJIZMAYPT-IRXDYDNUSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cn1 ZINC000652631262 452788288 /nfs/dbraw/zinc/78/82/88/452788288.db2.gz FQGVCDISBCWQHD-KRWDZBQOSA-N 2 1 334.468 1.394 20 0 EDADMP CC(C)(C)N1C[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1=O ZINC000658293410 452834171 /nfs/dbraw/zinc/83/41/71/452834171.db2.gz ACJAACZWSGEDDE-RDJZCZTQSA-N 2 1 337.508 1.866 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)CCC(C)(C)[NH3+])cc2)CC1 ZINC000648164480 452873771 /nfs/dbraw/zinc/87/37/71/452873771.db2.gz AKOSKQHEUBXURN-UHFFFAOYSA-N 2 1 346.475 1.807 20 0 EDADMP Cn1nnc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)ccc21 ZINC000650723719 452952530 /nfs/dbraw/zinc/95/25/30/452952530.db2.gz SHMMCHXANHADCN-QGTPRVQTSA-N 2 1 329.448 1.829 20 0 EDADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CC3CCCCC3)C2)CC1 ZINC000645977976 452966681 /nfs/dbraw/zinc/96/66/81/452966681.db2.gz PIYVNBLSEHZKNA-AEFFLSMTSA-N 2 1 336.524 1.569 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CC3CCCCC3)C2)CC1 ZINC000645977976 452966687 /nfs/dbraw/zinc/96/66/87/452966687.db2.gz PIYVNBLSEHZKNA-AEFFLSMTSA-N 2 1 336.524 1.569 20 0 EDADMP CCOc1ccc(N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)nn1 ZINC000662251774 452979255 /nfs/dbraw/zinc/97/92/55/452979255.db2.gz HBPRWDCYOXICOF-UHFFFAOYSA-N 2 1 344.463 1.983 20 0 EDADMP NC(=O)[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccc(F)cc1 ZINC000656256137 452991089 /nfs/dbraw/zinc/99/10/89/452991089.db2.gz UMNRZFFAVMGQIH-QAPCUYQASA-N 2 1 349.450 1.313 20 0 EDADMP OCC1([NH2+]Cc2ccc(OCc3cccnc3)cc2)CC[NH2+]CC1 ZINC000662287172 453012524 /nfs/dbraw/zinc/01/25/24/453012524.db2.gz RYTOJHCYVXATPI-UHFFFAOYSA-N 2 1 327.428 1.865 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)[C@@H]1CCC[NH3+] ZINC000662311278 453030672 /nfs/dbraw/zinc/03/06/72/453030672.db2.gz AOXIMMSGUIQWKC-NVXWUHKLSA-N 2 1 339.505 1.804 20 0 EDADMP CC(C)[NH+]1CCC(N2CC[NH+](CCO[C@H]3CC3(F)F)CC2)CC1 ZINC000660106562 453031164 /nfs/dbraw/zinc/03/11/64/453031164.db2.gz FWKKEBNQGDLYTG-INIZCTEOSA-N 2 1 331.451 1.901 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000654923367 453039009 /nfs/dbraw/zinc/03/90/09/453039009.db2.gz MRVREXDDBQIUDF-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000654923367 453039016 /nfs/dbraw/zinc/03/90/16/453039016.db2.gz MRVREXDDBQIUDF-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000654923367 453039026 /nfs/dbraw/zinc/03/90/26/453039026.db2.gz MRVREXDDBQIUDF-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662326884 453045594 /nfs/dbraw/zinc/04/55/94/453045594.db2.gz GFANPMGAOQUIBM-MRXNPFEDSA-N 2 1 333.480 1.045 20 0 EDADMP c1c(C2CCN(C[C@H]3C[NH2+]CCO3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662326884 453045601 /nfs/dbraw/zinc/04/56/01/453045601.db2.gz GFANPMGAOQUIBM-MRXNPFEDSA-N 2 1 333.480 1.045 20 0 EDADMP C[C@@H]1CN(CC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000660139277 453070630 /nfs/dbraw/zinc/07/06/30/453070630.db2.gz QUYCMEFVYJBXPL-CALCHBBNSA-N 3 1 326.529 1.053 20 0 EDADMP C[C@@H](NC(=O)C1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065539 453077404 /nfs/dbraw/zinc/07/74/04/453077404.db2.gz QFUSKHZDPIWIRX-CRAIPNDOSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H](NC(=O)C1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065539 453077410 /nfs/dbraw/zinc/07/74/10/453077410.db2.gz QFUSKHZDPIWIRX-CRAIPNDOSA-N 2 1 331.460 1.392 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000658524799 453078022 /nfs/dbraw/zinc/07/80/22/453078022.db2.gz UAKYJQRSZKVCCK-ZIAGYGMSSA-N 2 1 347.463 1.452 20 0 EDADMP CC(C)(C)N1CC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000658524799 453078029 /nfs/dbraw/zinc/07/80/29/453078029.db2.gz UAKYJQRSZKVCCK-ZIAGYGMSSA-N 2 1 347.463 1.452 20 0 EDADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662378136 453085525 /nfs/dbraw/zinc/08/55/25/453085525.db2.gz ZUAPTTMGLBAHOD-HNNXBMFYSA-N 2 1 339.443 1.275 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662378136 453085532 /nfs/dbraw/zinc/08/55/32/453085532.db2.gz ZUAPTTMGLBAHOD-HNNXBMFYSA-N 2 1 339.443 1.275 20 0 EDADMP CCN(C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000664448821 453104108 /nfs/dbraw/zinc/10/41/08/453104108.db2.gz TVGANVLVFPBNIX-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP CCN(C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000664448821 453104113 /nfs/dbraw/zinc/10/41/13/453104113.db2.gz TVGANVLVFPBNIX-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP C[N@H+](Cc1ccccc1)C1(CNC(=O)CN2CC[NH+](C)CC2)CCC1 ZINC000650918064 453108832 /nfs/dbraw/zinc/10/88/32/453108832.db2.gz BQXIABIUCAIVMX-UHFFFAOYSA-N 2 1 344.503 1.405 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)CN2CC[NH+](C)CC2)CCC1 ZINC000650918064 453108841 /nfs/dbraw/zinc/10/88/41/453108841.db2.gz BQXIABIUCAIVMX-UHFFFAOYSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000666754705 453119076 /nfs/dbraw/zinc/11/90/76/453119076.db2.gz RVBTUGFTYHGYHD-IKGGRYGDSA-N 2 1 340.512 1.203 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000655015137 453135561 /nfs/dbraw/zinc/13/55/61/453135561.db2.gz ZBDYYWASDSLTIW-QGZVFWFLSA-N 2 1 348.491 1.863 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CC[C@@H](O)C3)CC2)CC1 ZINC000655023099 453145074 /nfs/dbraw/zinc/14/50/74/453145074.db2.gz RXJJYMLFVLOILH-MAUKXSAKSA-N 2 1 337.508 1.460 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000662450671 453158270 /nfs/dbraw/zinc/15/82/70/453158270.db2.gz BYVZCEDSUIIPPS-OAHLLOKOSA-N 2 1 325.497 1.914 20 0 EDADMP CCN1CCC([NH+]2CCC(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)CC2)CC1 ZINC000655105214 453223381 /nfs/dbraw/zinc/22/33/81/453223381.db2.gz UNPUWOMFYWASFF-IEBWSBKVSA-N 2 1 348.535 1.345 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)CC2)CC1 ZINC000655105214 453223387 /nfs/dbraw/zinc/22/33/87/453223387.db2.gz UNPUWOMFYWASFF-IEBWSBKVSA-N 3 1 348.535 1.345 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)CC2)CC1 ZINC000655105214 453223394 /nfs/dbraw/zinc/22/33/94/453223394.db2.gz UNPUWOMFYWASFF-IEBWSBKVSA-N 3 1 348.535 1.345 20 0 EDADMP CO[C@H](C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000660333535 453223464 /nfs/dbraw/zinc/22/34/64/453223464.db2.gz CTEWJVMWVAXGIP-AQNXPRMDSA-N 2 1 348.487 1.607 20 0 EDADMP CO[C@H](C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000660333535 453223470 /nfs/dbraw/zinc/22/34/70/453223470.db2.gz CTEWJVMWVAXGIP-AQNXPRMDSA-N 2 1 348.487 1.607 20 0 EDADMP CO[C@H](C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000660333535 453223478 /nfs/dbraw/zinc/22/34/78/453223478.db2.gz CTEWJVMWVAXGIP-AQNXPRMDSA-N 2 1 348.487 1.607 20 0 EDADMP CO[C@H](C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000660333535 453223482 /nfs/dbraw/zinc/22/34/82/453223482.db2.gz CTEWJVMWVAXGIP-AQNXPRMDSA-N 2 1 348.487 1.607 20 0 EDADMP [NH3+][C@H]1CCC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000666906528 453230333 /nfs/dbraw/zinc/23/03/33/453230333.db2.gz PIAJSRABVIQLTR-WMZOPIPTSA-N 2 1 346.475 1.953 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@H]1CCCCO1 ZINC000664621961 453257347 /nfs/dbraw/zinc/25/73/47/453257347.db2.gz NTNFAQMIGBKQEF-JKSUJKDBSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@H]1CCCCO1 ZINC000664621961 453257355 /nfs/dbraw/zinc/25/73/55/453257355.db2.gz NTNFAQMIGBKQEF-JKSUJKDBSA-N 2 1 328.501 1.517 20 0 EDADMP C[NH2+][C@H](C(=O)N1CCO[C@H](C[NH3+])C1)c1cccc(Cl)c1Cl ZINC000662554774 453285012 /nfs/dbraw/zinc/28/50/12/453285012.db2.gz RKYCULPOEMOSGK-RNCFNFMXSA-N 2 1 332.231 1.440 20 0 EDADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662559053 453287249 /nfs/dbraw/zinc/28/72/49/453287249.db2.gz PSNNOFRGNHVFGB-OCAPTIKFSA-N 2 1 342.262 1.405 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCC[NH2+]CC1 ZINC000653109214 453293820 /nfs/dbraw/zinc/29/38/20/453293820.db2.gz XTDNUWUSMJHYMF-SFHVURJKSA-N 2 1 331.460 1.525 20 0 EDADMP C[NH2+][C@H](C(=O)N1CCCO[C@H](C[NH3+])C1)c1cccc(Cl)c1Cl ZINC000662576237 453303909 /nfs/dbraw/zinc/30/39/09/453303909.db2.gz UPSZYTJBLOBKKN-YGRLFVJLSA-N 2 1 346.258 1.830 20 0 EDADMP C[NH+](C)CC[C@@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000653116553 453305435 /nfs/dbraw/zinc/30/54/35/453305435.db2.gz LPPMCQLDABSUSN-LJQANCHMSA-N 2 1 346.519 1.636 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H](N)CC[NH+](C)C)c2)C[C@@H](C)O1 ZINC000653121247 453310771 /nfs/dbraw/zinc/31/07/71/453310771.db2.gz PQQMEJWOAFHETM-IIDMSEBBSA-N 2 1 348.491 1.513 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000653123343 453315582 /nfs/dbraw/zinc/31/55/82/453315582.db2.gz VTSKUDLANFPSSI-DYVFJYSZSA-N 2 1 329.448 1.637 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653150315 453337561 /nfs/dbraw/zinc/33/75/61/453337561.db2.gz YRWUGVWLTHJMCB-KURKYZTESA-N 2 1 334.508 1.146 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cn2cc(C3CC3)cn2)CC1 ZINC000667054296 453369464 /nfs/dbraw/zinc/36/94/64/453369464.db2.gz CWJZMFVULOPTMH-UHFFFAOYSA-N 2 1 340.431 1.546 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c1 ZINC000646444114 453389124 /nfs/dbraw/zinc/38/91/24/453389124.db2.gz KJQIEDRJFDCIFX-QZTJIDSGSA-N 2 1 331.460 1.683 20 0 EDADMP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648929672 453405885 /nfs/dbraw/zinc/40/58/85/453405885.db2.gz WWMZIQLUZZWQIQ-UKRRQHHQSA-N 2 1 335.448 1.914 20 0 EDADMP CN1CC[NH+](CC2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000646458636 453407075 /nfs/dbraw/zinc/40/70/75/453407075.db2.gz CGAIRWGRXPYWNW-GOSISDBHSA-N 2 1 334.508 1.099 20 0 EDADMP C[NH+]1CCN(CC2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000646458636 453407082 /nfs/dbraw/zinc/40/70/82/453407082.db2.gz CGAIRWGRXPYWNW-GOSISDBHSA-N 2 1 334.508 1.099 20 0 EDADMP C[NH+]1CCN(CC2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000646458636 453407092 /nfs/dbraw/zinc/40/70/92/453407092.db2.gz CGAIRWGRXPYWNW-GOSISDBHSA-N 2 1 334.508 1.099 20 0 EDADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)[C@@H](Cc2ccccc2)C1 ZINC000653253889 453438440 /nfs/dbraw/zinc/43/84/40/453438440.db2.gz CWCVQGSWDBZYGZ-HOTGVXAUSA-N 2 1 337.414 1.617 20 0 EDADMP C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)[C@@H](Cc2ccccc2)C1 ZINC000653253889 453438446 /nfs/dbraw/zinc/43/84/46/453438446.db2.gz CWCVQGSWDBZYGZ-HOTGVXAUSA-N 2 1 337.414 1.617 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1C[NH2+]CCO1 ZINC000662716836 453441396 /nfs/dbraw/zinc/44/13/96/453441396.db2.gz WYUQHDWPLXHUJY-MSOLQXFVSA-N 2 1 343.471 1.393 20 0 EDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000656787226 453448127 /nfs/dbraw/zinc/44/81/27/453448127.db2.gz HNXNAPKZMYSBHR-DDBAPUKQSA-N 2 1 341.455 1.492 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2CCc3[nH]cnc3C2)C[C@@H](C)O1 ZINC000667180379 453455608 /nfs/dbraw/zinc/45/56/08/453455608.db2.gz NSKUQKYUTSQBOA-WCVJEAGWSA-N 2 1 346.475 1.615 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])c2)C[C@@H](C)O1 ZINC000662738119 453463052 /nfs/dbraw/zinc/46/30/52/453463052.db2.gz GWOIPYWCTKQKTN-DTTOXWODSA-N 2 1 347.459 1.598 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662743698 453470294 /nfs/dbraw/zinc/47/02/94/453470294.db2.gz KWHQCYZNBQUVEK-PKOBYXMFSA-N 2 1 332.492 1.436 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662743698 453470300 /nfs/dbraw/zinc/47/03/00/453470300.db2.gz KWHQCYZNBQUVEK-PKOBYXMFSA-N 2 1 332.492 1.436 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000662743350 453471299 /nfs/dbraw/zinc/47/12/99/453471299.db2.gz YIFJNDDCPCHKKD-ZWKOTPCHSA-N 2 1 330.476 1.046 20 0 EDADMP COc1ccc(COC[C@@H](O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660654664 453490141 /nfs/dbraw/zinc/49/01/41/453490141.db2.gz HRMKZCRVHGOLFG-ICSRJNTNSA-N 2 1 348.487 1.990 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662755397 453492223 /nfs/dbraw/zinc/49/22/23/453492223.db2.gz APZHKMJRZHAJOK-IBGZPJMESA-N 2 1 344.503 1.755 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000662757701 453495857 /nfs/dbraw/zinc/49/58/57/453495857.db2.gz LPYKAAKVVXEHBY-BZSNNMDCSA-N 2 1 330.476 1.219 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000662757701 453495867 /nfs/dbraw/zinc/49/58/67/453495867.db2.gz LPYKAAKVVXEHBY-BZSNNMDCSA-N 2 1 330.476 1.219 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000662757701 453495877 /nfs/dbraw/zinc/49/58/77/453495877.db2.gz LPYKAAKVVXEHBY-BZSNNMDCSA-N 2 1 330.476 1.219 20 0 EDADMP [NH3+]C1(CC(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000662757750 453496903 /nfs/dbraw/zinc/49/69/03/453496903.db2.gz MPQOKDZHKIODFQ-UHFFFAOYSA-N 2 1 344.503 1.582 20 0 EDADMP C[C@@H](c1ccc(NC(=O)NCC23CC(C2)C[NH2+]3)cc1)[NH+]1CCOCC1 ZINC000658994277 453572140 /nfs/dbraw/zinc/57/21/40/453572140.db2.gz VZSUJERVLUMVJB-XVTSOASTSA-N 2 1 344.459 1.953 20 0 EDADMP C[C@H](c1ccc(NC(=O)NCC23CC(C2)C[NH2+]3)cc1)[NH+]1CCOCC1 ZINC000658994276 453572357 /nfs/dbraw/zinc/57/23/57/453572357.db2.gz VZSUJERVLUMVJB-TZGCNFNXSA-N 2 1 344.459 1.953 20 0 EDADMP CN(C(=O)c1conc1C(C)(C)[NH3+])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899137 453593784 /nfs/dbraw/zinc/59/37/84/453593784.db2.gz BVWYSNHMRPJJMP-CQSZACIVSA-N 2 1 349.479 1.109 20 0 EDADMP CN(C(=O)c1conc1C(C)(C)[NH3+])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899137 453593788 /nfs/dbraw/zinc/59/37/88/453593788.db2.gz BVWYSNHMRPJJMP-CQSZACIVSA-N 2 1 349.479 1.109 20 0 EDADMP CC(C)(C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]([NH3+])c1ccccc1 ZINC000662906696 453597515 /nfs/dbraw/zinc/59/75/15/453597515.db2.gz KCTUNQJLAFPXQJ-SJORKVTESA-N 2 1 330.476 1.219 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000660847047 453603536 /nfs/dbraw/zinc/60/35/36/453603536.db2.gz MMGYOFXIPJQSKK-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000660847047 453603540 /nfs/dbraw/zinc/60/35/40/453603540.db2.gz MMGYOFXIPJQSKK-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000660847047 453603544 /nfs/dbraw/zinc/60/35/44/453603544.db2.gz MMGYOFXIPJQSKK-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC000660858620 453616771 /nfs/dbraw/zinc/61/67/71/453616771.db2.gz AUNWXMDINONQMA-UHFFFAOYSA-N 2 1 349.479 1.478 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663001674 453642506 /nfs/dbraw/zinc/64/25/06/453642506.db2.gz XLVZCMGJLKWUCO-QAPCUYQASA-N 2 1 331.460 1.933 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663001674 453642507 /nfs/dbraw/zinc/64/25/07/453642507.db2.gz XLVZCMGJLKWUCO-QAPCUYQASA-N 2 1 331.460 1.933 20 0 EDADMP [NH3+]C1(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC2(CCC2)C1 ZINC000659262930 453690537 /nfs/dbraw/zinc/69/05/37/453690537.db2.gz QZKHCUOVKZPBFD-UHFFFAOYSA-N 2 1 335.492 1.799 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000659287675 453703068 /nfs/dbraw/zinc/70/30/68/453703068.db2.gz RVEVWGQWARKPPZ-NXHRZFHOSA-N 2 1 333.476 1.908 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N2CCC[N@@H+](CC3CCC3)CC2)CC1 ZINC000665478319 453710246 /nfs/dbraw/zinc/71/02/46/453710246.db2.gz GDLMUABRAUQEBF-UHFFFAOYSA-N 2 1 336.524 1.348 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC[N@H+](CC3CCC3)CC2)CC1 ZINC000665478319 453710270 /nfs/dbraw/zinc/71/02/70/453710270.db2.gz GDLMUABRAUQEBF-UHFFFAOYSA-N 2 1 336.524 1.348 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC[N@@H+](CC3CCC3)CC2)CC1 ZINC000665478319 453710273 /nfs/dbraw/zinc/71/02/73/453710273.db2.gz GDLMUABRAUQEBF-UHFFFAOYSA-N 2 1 336.524 1.348 20 0 EDADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659309860 453710759 /nfs/dbraw/zinc/71/07/59/453710759.db2.gz ZQCIUCPUKHWOTH-CBAPKCEASA-N 2 1 344.278 1.842 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000659317979 453713870 /nfs/dbraw/zinc/71/38/70/453713870.db2.gz WNTWODPBHZFOTR-MSOLQXFVSA-N 2 1 349.475 1.146 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCO1 ZINC000665551460 453743791 /nfs/dbraw/zinc/74/37/91/453743791.db2.gz HYEZSAQFUARWCD-CVEARBPZSA-N 2 1 340.512 1.611 20 0 EDADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663382122 453785318 /nfs/dbraw/zinc/78/53/18/453785318.db2.gz YSLQPZDYQXTPKA-UHFFFAOYSA-N 2 1 329.448 1.943 20 0 EDADMP CO[C@]1(CO)CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000661389191 453805188 /nfs/dbraw/zinc/80/51/88/453805188.db2.gz IUFXBWRZKDZGKB-LJQANCHMSA-N 2 1 334.460 1.492 20 0 EDADMP CO[C@]1(CO)CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000661389191 453805191 /nfs/dbraw/zinc/80/51/91/453805191.db2.gz IUFXBWRZKDZGKB-LJQANCHMSA-N 2 1 334.460 1.492 20 0 EDADMP CC(C)[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000164308452 486728244 /nfs/dbraw/zinc/72/82/44/486728244.db2.gz CRSVXSWANJTKGV-ROUUACIJSA-N 2 1 333.476 1.940 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(c2nc(N3CCOCC3)cc[nH+]2)C1 ZINC000676311849 486732879 /nfs/dbraw/zinc/73/28/79/486732879.db2.gz OAWNWKTVYQWRJO-INIZCTEOSA-N 2 1 349.479 1.250 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000680402139 486768969 /nfs/dbraw/zinc/76/89/69/486768969.db2.gz FAVCPQCEMIEOQR-OALUTQOASA-N 2 1 347.503 1.893 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000680402139 486768972 /nfs/dbraw/zinc/76/89/72/486768972.db2.gz FAVCPQCEMIEOQR-OALUTQOASA-N 2 1 347.503 1.893 20 0 EDADMP C[NH2+]CCN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418079046 486824454 /nfs/dbraw/zinc/82/44/54/486824454.db2.gz XLVBFBRPXRMEDG-QGZVFWFLSA-N 2 1 334.464 1.138 20 0 EDADMP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](C)[NH3+])c2C1 ZINC000667559384 486845345 /nfs/dbraw/zinc/84/53/45/486845345.db2.gz LCQFPLHWGGHMDO-OLZOCXBDSA-N 2 1 332.448 1.449 20 0 EDADMP C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000667559946 486846553 /nfs/dbraw/zinc/84/65/53/486846553.db2.gz XIZYEFAINJHPPI-KGLIPLIRSA-N 2 1 332.448 1.320 20 0 EDADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000683910268 486862131 /nfs/dbraw/zinc/86/21/31/486862131.db2.gz SJWPNVYXPKPDLS-AZUAARDMSA-N 2 1 345.487 1.566 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000667781069 486962179 /nfs/dbraw/zinc/96/21/79/486962179.db2.gz ZPQUZLBPDKTSNO-UHFFFAOYSA-N 2 1 347.507 1.944 20 0 EDADMP [NH3+]CCOc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000667811931 486976612 /nfs/dbraw/zinc/97/66/12/486976612.db2.gz FILBXGOZTDQDNE-QGZVFWFLSA-N 2 1 348.447 1.353 20 0 EDADMP CCOc1cnc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cn1 ZINC000681721949 487144935 /nfs/dbraw/zinc/14/49/35/487144935.db2.gz DCTPKEVDJNANRU-OAHLLOKOSA-N 2 1 349.479 1.363 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000677798890 487170662 /nfs/dbraw/zinc/17/06/62/487170662.db2.gz DQDBKRWVRICLKN-UKBAYJJMSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000677798890 487170663 /nfs/dbraw/zinc/17/06/63/487170663.db2.gz DQDBKRWVRICLKN-UKBAYJJMSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000677798890 487170667 /nfs/dbraw/zinc/17/06/67/487170667.db2.gz DQDBKRWVRICLKN-UKBAYJJMSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CN1CC[NH+](C)CC1 ZINC000674097715 487198197 /nfs/dbraw/zinc/19/81/97/487198197.db2.gz CTYPIZYJTDAGOG-MJGOQNOKSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CN1CC[NH+](C)CC1 ZINC000674097715 487198202 /nfs/dbraw/zinc/19/82/02/487198202.db2.gz CTYPIZYJTDAGOG-MJGOQNOKSA-N 2 1 344.503 1.261 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCN[C@H]1CCCc2cccnc21 ZINC000684954582 487200183 /nfs/dbraw/zinc/20/01/83/487200183.db2.gz AKVRLHGEXYQNDH-DLBZAZTESA-N 2 1 330.476 1.991 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000674385403 487249470 /nfs/dbraw/zinc/24/94/70/487249470.db2.gz VWAILVVXSKPEAY-CVEARBPZSA-N 2 1 334.468 1.535 20 0 EDADMP NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678341845 487292507 /nfs/dbraw/zinc/29/25/07/487292507.db2.gz GZRNIXHGXHZXNN-INIZCTEOSA-N 2 1 332.448 1.404 20 0 EDADMP c1ccc2c(c1)CC(C[NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)C2 ZINC000685841482 487332157 /nfs/dbraw/zinc/33/21/57/487332157.db2.gz CRXKBDHRIFPLTM-FQEVSTJZSA-N 2 1 329.488 1.398 20 0 EDADMP CN(CCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1cc[nH+]cc1 ZINC000679406734 487422711 /nfs/dbraw/zinc/42/27/11/487422711.db2.gz SVCSKNSDBPQQHH-QGZVFWFLSA-N 2 1 332.448 1.231 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@]12CCCO2 ZINC000679722151 487461584 /nfs/dbraw/zinc/46/15/84/487461584.db2.gz WMAJMUKRAXUQHC-INDMIFKZSA-N 2 1 338.492 1.946 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000679764076 487464132 /nfs/dbraw/zinc/46/41/32/487464132.db2.gz RHBPQSDBPNAYIO-QZTJIDSGSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000679764076 487464134 /nfs/dbraw/zinc/46/41/34/487464134.db2.gz RHBPQSDBPNAYIO-QZTJIDSGSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000679764076 487464136 /nfs/dbraw/zinc/46/41/36/487464136.db2.gz RHBPQSDBPNAYIO-QZTJIDSGSA-N 2 1 346.475 1.147 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1C ZINC000669522746 485491031 /nfs/dbraw/zinc/49/10/31/485491031.db2.gz HJJICKNUNAYSPS-LSDHHAIUSA-N 2 1 348.495 1.407 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NC/C=C\C[NH3+])C2)cc(OC)c1 ZINC000669526080 485497390 /nfs/dbraw/zinc/49/73/90/485497390.db2.gz XXNJOYMSYSPYEU-ABCZVMIZSA-N 2 1 348.447 1.092 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)NC/C=C\C[NH3+])C2)cc(OC)c1 ZINC000669526080 485497397 /nfs/dbraw/zinc/49/73/97/485497397.db2.gz XXNJOYMSYSPYEU-ABCZVMIZSA-N 2 1 348.447 1.092 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)[NH+]1CCOCC1 ZINC000669021140 485568290 /nfs/dbraw/zinc/56/82/90/485568290.db2.gz HWYYKIJWCFZIIN-GOSISDBHSA-N 2 1 346.475 1.446 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1(C)C ZINC000669580074 485623985 /nfs/dbraw/zinc/62/39/85/485623985.db2.gz BQGZTQGBXVHVGC-UHFFFAOYSA-N 2 1 345.491 1.115 20 0 EDADMP CCOC1CC(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC000375712774 485795978 /nfs/dbraw/zinc/79/59/78/485795978.db2.gz YYGCRIPVCCVLEC-CTWPCTMYSA-N 2 1 339.524 1.528 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000668665688 486016066 /nfs/dbraw/zinc/01/60/66/486016066.db2.gz LNQNSZGJRXDZCU-UAGQMJEPSA-N 2 1 332.448 1.019 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000347694843 486025686 /nfs/dbraw/zinc/02/56/86/486025686.db2.gz YUWOFAUCSSISSY-KSZLIROESA-N 2 1 337.508 1.722 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000607409772 486054982 /nfs/dbraw/zinc/05/49/82/486054982.db2.gz MISFOEKDGDIREC-IEBWSBKVSA-N 2 1 346.475 1.017 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000607409772 486054987 /nfs/dbraw/zinc/05/49/87/486054987.db2.gz MISFOEKDGDIREC-IEBWSBKVSA-N 2 1 346.475 1.017 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000607409772 486054994 /nfs/dbraw/zinc/05/49/94/486054994.db2.gz MISFOEKDGDIREC-IEBWSBKVSA-N 2 1 346.475 1.017 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668740495 486113216 /nfs/dbraw/zinc/11/32/16/486113216.db2.gz UJQZDUOBRHLQCW-LJQANCHMSA-N 2 1 341.459 1.607 20 0 EDADMP O=C(c1cccc2c1CC[NH2+]C2)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000392323876 486569856 /nfs/dbraw/zinc/56/98/56/486569856.db2.gz QFUAJLXHQORPJN-INIZCTEOSA-N 2 1 329.444 1.269 20 0 EDADMP O=C(c1cccc2c1CC[NH2+]C2)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000392323880 486570060 /nfs/dbraw/zinc/57/00/60/486570060.db2.gz QFUAJLXHQORPJN-MRXNPFEDSA-N 2 1 329.444 1.269 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)c1 ZINC000279051679 491240595 /nfs/dbraw/zinc/24/05/95/491240595.db2.gz PIWSOLVTDIUIJR-INIZCTEOSA-N 2 1 330.432 1.366 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+](CC)CC)C[C@@H]1[NH+]1CCOCC1 ZINC000426017376 491167563 /nfs/dbraw/zinc/16/75/63/491167563.db2.gz ZNNRRYBIPQLZQK-ZACQAIPSSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000173919071 534000492 /nfs/dbraw/zinc/00/04/92/534000492.db2.gz QURXGRLKDZWAAF-CABCVRRESA-N 2 1 336.484 1.687 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000154937693 534159704 /nfs/dbraw/zinc/15/97/04/534159704.db2.gz VJYYSCZNTLZNBF-OAHLLOKOSA-N 2 1 334.464 1.626 20 0 EDADMP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000164578664 528255703 /nfs/dbraw/zinc/25/57/03/528255703.db2.gz MPRHKUUTXJLPCS-GOSISDBHSA-N 2 1 331.460 1.523 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000164595934 529037911 /nfs/dbraw/zinc/03/79/11/529037911.db2.gz DKABVDQYBMWBGR-DAYGRLMNSA-N 2 1 333.476 1.895 20 0 EDADMP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261661944 534926715 /nfs/dbraw/zinc/92/67/15/534926715.db2.gz KTMFOTOYZKYFKR-OAHLLOKOSA-N 2 1 333.432 1.055 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246925057 535508615 /nfs/dbraw/zinc/50/86/15/535508615.db2.gz DJXZEQWIPMEROB-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246925057 535508622 /nfs/dbraw/zinc/50/86/22/535508622.db2.gz DJXZEQWIPMEROB-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246925057 535508626 /nfs/dbraw/zinc/50/86/26/535508626.db2.gz DJXZEQWIPMEROB-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246925057 535508631 /nfs/dbraw/zinc/50/86/31/535508631.db2.gz DJXZEQWIPMEROB-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cnn(C)c1C ZINC000339655414 535595800 /nfs/dbraw/zinc/59/58/00/535595800.db2.gz OUTOICGVVDTFJE-KRWDZBQOSA-N 2 1 335.496 1.146 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1OC(F)(F)F ZINC000262073321 536303984 /nfs/dbraw/zinc/30/39/84/536303984.db2.gz KDUVHFCRISTFFA-UHFFFAOYSA-N 2 1 345.365 1.839 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261637097 536372214 /nfs/dbraw/zinc/37/22/14/536372214.db2.gz AKYPHVVBBADLFH-PKOBYXMFSA-N 2 1 344.503 1.785 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000262301490 536387067 /nfs/dbraw/zinc/38/70/67/536387067.db2.gz BOWCGPSAQASWTF-JLSDUUJJSA-N 2 1 341.459 1.460 20 0 EDADMP C[NH2+][C@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000262301490 536387071 /nfs/dbraw/zinc/38/70/71/536387071.db2.gz BOWCGPSAQASWTF-JLSDUUJJSA-N 2 1 341.459 1.460 20 0 EDADMP CNC(=O)[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC000346863572 536399556 /nfs/dbraw/zinc/39/95/56/536399556.db2.gz BRKSXBHXODXIHA-IRXDYDNUSA-N 2 1 344.463 1.167 20 0 EDADMP CNC(=O)[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC000346863572 536399557 /nfs/dbraw/zinc/39/95/57/536399557.db2.gz BRKSXBHXODXIHA-IRXDYDNUSA-N 2 1 344.463 1.167 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CCCCC[NH+]3CCCC3)cn2)CC1 ZINC000339498287 536426577 /nfs/dbraw/zinc/42/65/77/536426577.db2.gz KHNHYGGORXZLEE-UHFFFAOYSA-N 3 1 346.523 1.584 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CC(F)F ZINC000345703560 536449108 /nfs/dbraw/zinc/44/91/08/536449108.db2.gz DFWAMOMSAOXDIL-HUUCEWRRSA-N 2 1 325.403 1.949 20 0 EDADMP CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261882759 536478268 /nfs/dbraw/zinc/47/82/68/536478268.db2.gz FPCDEKPGLYCOCB-KSZLIROESA-N 2 1 331.460 1.392 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)[N@@H+](C)C1 ZINC000346628546 536777581 /nfs/dbraw/zinc/77/75/81/536777581.db2.gz ZQDRGXBPOSFPMD-HOTGVXAUSA-N 2 1 340.512 1.610 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)CC[C@@H](C)O)cc2)CC1 ZINC000743852516 579492469 /nfs/dbraw/zinc/49/24/69/579492469.db2.gz OOVNVZIFYSKEHQ-MRXNPFEDSA-N 2 1 348.491 1.470 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)CC[C@@H](C)O)cc2)CC1 ZINC000743852516 579492470 /nfs/dbraw/zinc/49/24/70/579492470.db2.gz OOVNVZIFYSKEHQ-MRXNPFEDSA-N 2 1 348.491 1.470 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCC[NH+]1CCOC ZINC000727703376 578537915 /nfs/dbraw/zinc/53/79/15/578537915.db2.gz OWANHQSHRXQYSZ-HUUCEWRRSA-N 2 1 328.526 1.046 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCC[N@@H+]1CCOC ZINC000727703376 578537916 /nfs/dbraw/zinc/53/79/16/578537916.db2.gz OWANHQSHRXQYSZ-HUUCEWRRSA-N 2 1 328.526 1.046 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCC[N@H+]1CCOC ZINC000727703376 578537917 /nfs/dbraw/zinc/53/79/17/578537917.db2.gz OWANHQSHRXQYSZ-HUUCEWRRSA-N 2 1 328.526 1.046 20 0 EDADMP C[NH+]1CCC(NC(=S)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000731941058 578683835 /nfs/dbraw/zinc/68/38/35/578683835.db2.gz VTAUAJTTXINCJR-INIZCTEOSA-N 2 1 340.537 1.142 20 0 EDADMP C[NH+]1CCC(CNC(=S)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000760501302 580032280 /nfs/dbraw/zinc/03/22/80/580032280.db2.gz ZAKCIWVEIFWNNE-QGZVFWFLSA-N 2 1 332.517 1.979 20 0 EDADMP C[NH+]1CCC(CNC(=S)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000760501302 580032281 /nfs/dbraw/zinc/03/22/81/580032281.db2.gz ZAKCIWVEIFWNNE-QGZVFWFLSA-N 2 1 332.517 1.979 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cc2c([nH]c1=O)CCC2 ZINC000733164601 578745434 /nfs/dbraw/zinc/74/54/34/578745434.db2.gz YTCPEIVZBKOWAM-UHFFFAOYSA-N 2 1 346.475 1.374 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000747969790 579665079 /nfs/dbraw/zinc/66/50/79/579665079.db2.gz WJTFORSUNHGTEB-YESZJQIVSA-N 2 1 325.497 1.460 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000747969790 579665080 /nfs/dbraw/zinc/66/50/80/579665080.db2.gz WJTFORSUNHGTEB-YESZJQIVSA-N 2 1 325.497 1.460 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)CC[NH+]1CCOCC1)c1ccccc1 ZINC000750851248 579783850 /nfs/dbraw/zinc/78/38/50/579783850.db2.gz QVVZFCRZKHCHTR-GOSISDBHSA-N 2 1 333.476 1.908 20 0 EDADMP C[NH+](C)CCN(CCCc1ccccc1)C(=O)CC[NH+]1CCOCC1 ZINC000751380771 579803870 /nfs/dbraw/zinc/80/38/70/579803870.db2.gz DVTVHELZTMDRSH-UHFFFAOYSA-N 2 1 347.503 1.732 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2C[C@]3(CCOC3)CC2=O)C1 ZINC000756858067 579958732 /nfs/dbraw/zinc/95/87/32/579958732.db2.gz RYFULLUSOYESGT-WMZOPIPTSA-N 2 1 339.480 1.016 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2C[C@]3(CCOC3)CC2=O)C1 ZINC000756858067 579958733 /nfs/dbraw/zinc/95/87/33/579958733.db2.gz RYFULLUSOYESGT-WMZOPIPTSA-N 2 1 339.480 1.016 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000770430830 580260227 /nfs/dbraw/zinc/26/02/27/580260227.db2.gz DJAKHKJZJIUKOP-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)cn1 ZINC000770522378 580263482 /nfs/dbraw/zinc/26/34/82/580263482.db2.gz KAUAKVKBHFCAHN-UHFFFAOYSA-N 2 1 336.484 1.688 20 0 EDADMP COC(=O)C(C)(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000775553497 580393503 /nfs/dbraw/zinc/39/35/03/580393503.db2.gz PFDCNTMVEJALRU-SJORKVTESA-N 2 1 334.460 1.973 20 0 EDADMP CO[C@@H](C)c1nc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)cs1 ZINC000779652904 580493138 /nfs/dbraw/zinc/49/31/38/580493138.db2.gz JXBBTHJDTCNLAZ-AAEUAGOBSA-N 2 1 342.465 1.958 20 0 EDADMP CO[C@@H](C)c1nc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)cs1 ZINC000779652904 580493139 /nfs/dbraw/zinc/49/31/39/580493139.db2.gz JXBBTHJDTCNLAZ-AAEUAGOBSA-N 2 1 342.465 1.958 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000792554107 580823051 /nfs/dbraw/zinc/82/30/51/580823051.db2.gz VWYLGRQTTXLHON-CYBMUJFWSA-N 2 1 330.388 1.044 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2cccc(C(N)=O)c2)CC1 ZINC000800333114 581050657 /nfs/dbraw/zinc/05/06/57/581050657.db2.gz MFDRWEXWETZMQJ-UHFFFAOYSA-N 2 1 332.492 1.633 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000891806107 590629130 /nfs/dbraw/zinc/62/91/30/590629130.db2.gz VPMPKBLAFPCOHM-INIZCTEOSA-N 2 1 345.491 1.830 20 0 EDADMP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000891855342 590656351 /nfs/dbraw/zinc/65/63/51/590656351.db2.gz JYVRHMLBZYJWIM-BZSNNMDCSA-N 2 1 346.475 1.314 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891909878 590683870 /nfs/dbraw/zinc/68/38/70/590683870.db2.gz NWPXGSXFCODARQ-HZPDHXFCSA-N 2 1 340.512 1.565 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000892000175 590737003 /nfs/dbraw/zinc/73/70/03/590737003.db2.gz PTEXCNDAZBOCPL-WMZOPIPTSA-N 2 1 330.476 1.868 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000892152373 590824112 /nfs/dbraw/zinc/82/41/12/590824112.db2.gz GWXWBGFGZIVBEM-QAPCUYQASA-N 2 1 331.508 1.755 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000909396564 590941349 /nfs/dbraw/zinc/94/13/49/590941349.db2.gz HQWIVFHLCMEQSJ-QGZVFWFLSA-N 2 1 338.540 1.641 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)C1 ZINC000909396564 590941354 /nfs/dbraw/zinc/94/13/54/590941354.db2.gz HQWIVFHLCMEQSJ-QGZVFWFLSA-N 2 1 338.540 1.641 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)C1 ZINC000909396564 590941357 /nfs/dbraw/zinc/94/13/57/590941357.db2.gz HQWIVFHLCMEQSJ-QGZVFWFLSA-N 2 1 338.540 1.641 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)C(C)(C)C[NH+](C)C ZINC000893549691 590953755 /nfs/dbraw/zinc/95/37/55/590953755.db2.gz ZIAISUVKKMUTDC-ARFHVFGLSA-N 2 1 340.512 1.203 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000892530810 591060799 /nfs/dbraw/zinc/06/07/99/591060799.db2.gz YGNRQDKNWAEPCU-KSZLIROESA-N 2 1 328.460 1.430 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891366558 591063169 /nfs/dbraw/zinc/06/31/69/591063169.db2.gz WHLXTMHXEPUKLX-YOEHRIQHSA-N 2 1 328.460 1.484 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891405194 591067870 /nfs/dbraw/zinc/06/78/70/591067870.db2.gz DAPPYRFUUKOZDT-YJBOKZPZSA-N 2 1 340.431 1.660 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891494155 591093387 /nfs/dbraw/zinc/09/33/87/591093387.db2.gz IJHSQHWAIZYCBL-HUUCEWRRSA-N 2 1 326.485 1.175 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000891563172 591129245 /nfs/dbraw/zinc/12/92/45/591129245.db2.gz ADFSBDUXASQHEH-LVQVYYBASA-N 2 1 326.485 1.160 20 0 EDADMP Cc1ccnc(N)c1CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000893980465 591154711 /nfs/dbraw/zinc/15/47/11/591154711.db2.gz MENDBFJTGNNJNR-CALCHBBNSA-N 2 1 331.508 1.963 20 0 EDADMP O=C(C[NH+]1CCC(Nc2cc[nH+]cc2CO)CC1)Nc1ccccc1 ZINC000891663221 591175345 /nfs/dbraw/zinc/17/53/45/591175345.db2.gz WTPMQDWYVFRWCT-UHFFFAOYSA-N 2 1 340.427 1.511 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC[N@H+]1C ZINC000892788426 591178672 /nfs/dbraw/zinc/17/86/72/591178672.db2.gz BZNPARNFCZKKJZ-QZTJIDSGSA-N 2 1 330.476 1.683 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]21 ZINC000892804297 591183594 /nfs/dbraw/zinc/18/35/94/591183594.db2.gz SFLPBPUDQRHZCN-QRVBRYPASA-N 2 1 342.487 1.827 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000894077997 591188130 /nfs/dbraw/zinc/18/81/30/591188130.db2.gz YKXCMLOIBIRURW-RDTXWAMCSA-N 2 1 343.475 1.726 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000894077997 591188132 /nfs/dbraw/zinc/18/81/32/591188132.db2.gz YKXCMLOIBIRURW-RDTXWAMCSA-N 2 1 343.475 1.726 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](Nc3cc[nH+]cc3CO)C2)cc(OC)c1 ZINC000892881021 591213560 /nfs/dbraw/zinc/21/35/60/591213560.db2.gz OJPYDEAXHIBNJW-INIZCTEOSA-N 2 1 343.427 1.699 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000892951420 591237340 /nfs/dbraw/zinc/23/73/40/591237340.db2.gz NFGLKCSEDGUYLG-LJQANCHMSA-N 2 1 343.475 1.653 20 0 EDADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1(C)C ZINC000894253072 591248858 /nfs/dbraw/zinc/24/88/58/591248858.db2.gz FTKGOAPYTALABG-HUUCEWRRSA-N 2 1 329.460 1.236 20 0 EDADMP CCOC(=O)c1ncc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000894254199 591249731 /nfs/dbraw/zinc/24/97/31/591249731.db2.gz QFNSRZKXQWOKKR-UHFFFAOYSA-N 2 1 340.493 1.435 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895692382 591250489 /nfs/dbraw/zinc/25/04/89/591250489.db2.gz QPIPFKJCIMWLRY-DLBZAZTESA-N 2 1 344.471 1.910 20 0 EDADMP Cc1nc(C)c(CC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000896326038 591420088 /nfs/dbraw/zinc/42/00/88/591420088.db2.gz VRACYVQUYGAELK-AWEZNQCLSA-N 2 1 336.505 1.587 20 0 EDADMP Cc1nc(C)c(CC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000896326038 591420091 /nfs/dbraw/zinc/42/00/91/591420091.db2.gz VRACYVQUYGAELK-AWEZNQCLSA-N 2 1 336.505 1.587 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898596683 591430296 /nfs/dbraw/zinc/43/02/96/591430296.db2.gz WUWZHSMGYAZPRM-UHFFFAOYSA-N 2 1 326.485 1.082 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898596683 591430299 /nfs/dbraw/zinc/43/02/99/591430299.db2.gz WUWZHSMGYAZPRM-UHFFFAOYSA-N 2 1 326.485 1.082 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1C[N@H+](C)CCN1C ZINC000896536059 591500876 /nfs/dbraw/zinc/50/08/76/591500876.db2.gz USBCWQOMXGCLQN-JCHJZTRSSA-N 2 1 344.503 1.430 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896536059 591500879 /nfs/dbraw/zinc/50/08/79/591500879.db2.gz USBCWQOMXGCLQN-JCHJZTRSSA-N 2 1 344.503 1.430 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1CN(C)CCN1C ZINC000896536059 591500882 /nfs/dbraw/zinc/50/08/82/591500882.db2.gz USBCWQOMXGCLQN-JCHJZTRSSA-N 2 1 344.503 1.430 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@H]1CN(C)CCN1C ZINC000896536059 591500884 /nfs/dbraw/zinc/50/08/84/591500884.db2.gz USBCWQOMXGCLQN-JCHJZTRSSA-N 2 1 344.503 1.430 20 0 EDADMP CN(C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)[C@H]1CCC[NH+](C)C1 ZINC000896608972 591551878 /nfs/dbraw/zinc/55/18/78/591551878.db2.gz KPCAIKWCAVJEKB-ZNMIVQPWSA-N 2 1 326.510 1.302 20 0 EDADMP CN(C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)[C@H]1CCC[N@@H+](C)C1 ZINC000896608972 591551873 /nfs/dbraw/zinc/55/18/73/591551873.db2.gz KPCAIKWCAVJEKB-ZNMIVQPWSA-N 2 1 326.510 1.302 20 0 EDADMP CN(C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@H]1CCC[NH+](C)C1 ZINC000896608972 591551876 /nfs/dbraw/zinc/55/18/76/591551876.db2.gz KPCAIKWCAVJEKB-ZNMIVQPWSA-N 2 1 326.510 1.302 20 0 EDADMP C[NH+]1C[C@@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000897591857 591572318 /nfs/dbraw/zinc/57/23/18/591572318.db2.gz ORGAECNOYDMEKA-YRXWBPOGSA-N 2 1 342.487 1.535 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)C[C@H]2C1 ZINC000897591857 591572319 /nfs/dbraw/zinc/57/23/19/591572319.db2.gz ORGAECNOYDMEKA-YRXWBPOGSA-N 2 1 342.487 1.535 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)C[C@H]2C1 ZINC000897591857 591572323 /nfs/dbraw/zinc/57/23/23/591572323.db2.gz ORGAECNOYDMEKA-YRXWBPOGSA-N 2 1 342.487 1.535 20 0 EDADMP C[N@@H+](CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1)Cc1ccc(F)cc1 ZINC000896841685 591629464 /nfs/dbraw/zinc/62/94/64/591629464.db2.gz VPSWVGCYRNOTEH-KRWDZBQOSA-N 2 1 335.423 1.094 20 0 EDADMP CN1CCC[C@H]1c1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)n[nH]1 ZINC000897851901 591696312 /nfs/dbraw/zinc/69/63/12/591696312.db2.gz HAFPCXKPROUDBQ-FUHWJXTLSA-N 2 1 331.464 1.734 20 0 EDADMP CN1CCC[C@H]1c1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)[nH]n1 ZINC000897851901 591696314 /nfs/dbraw/zinc/69/63/14/591696314.db2.gz HAFPCXKPROUDBQ-FUHWJXTLSA-N 2 1 331.464 1.734 20 0 EDADMP CN1CCC[C@H]1c1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)[nH]n1 ZINC000897851901 591696317 /nfs/dbraw/zinc/69/63/17/591696317.db2.gz HAFPCXKPROUDBQ-FUHWJXTLSA-N 2 1 331.464 1.734 20 0 EDADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)n[nH]1 ZINC000897851901 591696321 /nfs/dbraw/zinc/69/63/21/591696321.db2.gz HAFPCXKPROUDBQ-FUHWJXTLSA-N 2 1 331.464 1.734 20 0 EDADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)n[nH]1 ZINC000897851901 591696324 /nfs/dbraw/zinc/69/63/24/591696324.db2.gz HAFPCXKPROUDBQ-FUHWJXTLSA-N 2 1 331.464 1.734 20 0 EDADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)n[nH]1 ZINC000897851901 591696327 /nfs/dbraw/zinc/69/63/27/591696327.db2.gz HAFPCXKPROUDBQ-FUHWJXTLSA-N 2 1 331.464 1.734 20 0 EDADMP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000897105504 591742053 /nfs/dbraw/zinc/74/20/53/591742053.db2.gz MGWMQGXHGRJQAW-BMGDILEWSA-N 2 1 333.476 1.182 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895408146 591746667 /nfs/dbraw/zinc/74/66/67/591746667.db2.gz PFFCNPYPYQJBGW-QZTJIDSGSA-N 2 1 329.444 1.098 20 0 EDADMP CCO[C@H](CNc1ncnc2c1cnn2-c1cc[nH+]cc1)C[NH+](C)C ZINC000899261130 591753254 /nfs/dbraw/zinc/75/32/54/591753254.db2.gz AFPUPJSVNPXADW-CQSZACIVSA-N 2 1 341.419 1.589 20 0 EDADMP CC1(C)[C@H](NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000898207306 591817924 /nfs/dbraw/zinc/81/79/24/591817924.db2.gz IEBKPCXJVWRSJR-ZACQAIPSSA-N 2 1 335.492 1.619 20 0 EDADMP CC1(C)[C@H](NC(=O)[C@H]2CC[N@H+]2C2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000898207306 591817927 /nfs/dbraw/zinc/81/79/27/591817927.db2.gz IEBKPCXJVWRSJR-ZACQAIPSSA-N 2 1 335.492 1.619 20 0 EDADMP COC(=O)c1ccccc1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000897311047 591828820 /nfs/dbraw/zinc/82/88/20/591828820.db2.gz OWPFCRVTULUBNN-KRWDZBQOSA-N 2 1 332.444 1.859 20 0 EDADMP CCc1ccc([C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)[NH+](C)C)cc1 ZINC000900013091 591862550 /nfs/dbraw/zinc/86/25/50/591862550.db2.gz GWPUYVNFRDFDNE-JENIJYKNSA-N 2 1 333.476 1.423 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)C1CCCCC1 ZINC000900198206 591937389 /nfs/dbraw/zinc/93/73/89/591937389.db2.gz ULFLXQVSMRRZRC-AEFFLSMTSA-N 2 1 325.497 1.460 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000900203676 591940707 /nfs/dbraw/zinc/94/07/07/591940707.db2.gz FKBVTHLTIJEPNB-ZWKOTPCHSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000900203676 591940709 /nfs/dbraw/zinc/94/07/09/591940709.db2.gz FKBVTHLTIJEPNB-ZWKOTPCHSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000900203676 591940711 /nfs/dbraw/zinc/94/07/11/591940711.db2.gz FKBVTHLTIJEPNB-ZWKOTPCHSA-N 2 1 338.540 1.639 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000900209697 591943646 /nfs/dbraw/zinc/94/36/46/591943646.db2.gz UPYAZOUQEQKOTH-HOTGVXAUSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000900209697 591943647 /nfs/dbraw/zinc/94/36/47/591943647.db2.gz UPYAZOUQEQKOTH-HOTGVXAUSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000900209697 591943648 /nfs/dbraw/zinc/94/36/48/591943648.db2.gz UPYAZOUQEQKOTH-HOTGVXAUSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000900209697 591943649 /nfs/dbraw/zinc/94/36/49/591943649.db2.gz UPYAZOUQEQKOTH-HOTGVXAUSA-N 2 1 339.480 1.110 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000900210165 591944027 /nfs/dbraw/zinc/94/40/27/591944027.db2.gz XTNSZXVEMKRLGX-WWDZGPRUSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)C2=O)n(C)n1 ZINC000902369747 591981184 /nfs/dbraw/zinc/98/11/84/591981184.db2.gz KMUXJGJTNMKVEZ-CABCVRRESA-N 2 1 333.480 1.592 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000900419380 592013762 /nfs/dbraw/zinc/01/37/62/592013762.db2.gz VXWGUJZJLYEGRS-BZSNNMDCSA-N 2 1 335.492 1.717 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[NH+]21)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000900419380 592013763 /nfs/dbraw/zinc/01/37/63/592013763.db2.gz VXWGUJZJLYEGRS-BZSNNMDCSA-N 2 1 335.492 1.717 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[NH+]21)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000900419380 592013766 /nfs/dbraw/zinc/01/37/66/592013766.db2.gz VXWGUJZJLYEGRS-BZSNNMDCSA-N 2 1 335.492 1.717 20 0 EDADMP CN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000900642792 592072435 /nfs/dbraw/zinc/07/24/35/592072435.db2.gz HRROXIKIMCOPIU-UHFFFAOYSA-N 2 1 333.480 1.290 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900628446 592076211 /nfs/dbraw/zinc/07/62/11/592076211.db2.gz ZSHXZSMKGYLBEM-LXPRWKDFSA-N 2 1 335.492 1.478 20 0 EDADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)c1 ZINC000900653458 592081522 /nfs/dbraw/zinc/08/15/22/592081522.db2.gz SIHQEQRFBQIUAZ-PKOBYXMFSA-N 2 1 333.476 1.598 20 0 EDADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)c1 ZINC000900653458 592081526 /nfs/dbraw/zinc/08/15/26/592081526.db2.gz SIHQEQRFBQIUAZ-PKOBYXMFSA-N 2 1 333.476 1.598 20 0 EDADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)c1 ZINC000900653458 592081528 /nfs/dbraw/zinc/08/15/28/592081528.db2.gz SIHQEQRFBQIUAZ-PKOBYXMFSA-N 2 1 333.476 1.598 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900726116 592105902 /nfs/dbraw/zinc/10/59/02/592105902.db2.gz RNBADSGGVLPLTR-WWDZGPRUSA-N 2 1 337.508 1.678 20 0 EDADMP O[C@]1(C[NH2+][C@@H]2CCO[C@@]23CCOC3)CC[N@H+](Cc2ccccc2)C1 ZINC000903100106 592120315 /nfs/dbraw/zinc/12/03/15/592120315.db2.gz PPKAPTGDAIESHX-CEXWTWQISA-N 2 1 332.444 1.161 20 0 EDADMP O[C@]1(C[NH2+][C@@H]2CCO[C@@]23CCOC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000903100106 592120317 /nfs/dbraw/zinc/12/03/17/592120317.db2.gz PPKAPTGDAIESHX-CEXWTWQISA-N 2 1 332.444 1.161 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3CCN(CCOC)C3)C2)[C@@H]1C(C)C ZINC000903116947 592123278 /nfs/dbraw/zinc/12/32/78/592123278.db2.gz BPTKHRBFCPVCJU-QQXKLLMISA-N 2 1 339.524 1.167 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000900887398 592157415 /nfs/dbraw/zinc/15/74/15/592157415.db2.gz UBPWEUZMWIRVKQ-HOTGVXAUSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000900887398 592157416 /nfs/dbraw/zinc/15/74/16/592157416.db2.gz UBPWEUZMWIRVKQ-HOTGVXAUSA-N 2 1 339.480 1.204 20 0 EDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903452820 592173699 /nfs/dbraw/zinc/17/36/99/592173699.db2.gz RNZCANWZDOSAAM-OAHLLOKOSA-N 2 1 345.443 1.503 20 0 EDADMP COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1C ZINC000903499804 592179689 /nfs/dbraw/zinc/17/96/89/592179689.db2.gz OQFVNQARWDTLBM-LERXQTSPSA-N 2 1 335.448 1.906 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000900957440 592184745 /nfs/dbraw/zinc/18/47/45/592184745.db2.gz CFUHNCITZSPNBS-IEBWSBKVSA-N 2 1 347.459 1.037 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000900957440 592184747 /nfs/dbraw/zinc/18/47/47/592184747.db2.gz CFUHNCITZSPNBS-IEBWSBKVSA-N 2 1 347.459 1.037 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C[N@H+]1C1CC1 ZINC000900995739 592200229 /nfs/dbraw/zinc/20/02/29/592200229.db2.gz NXBZXXGLKHMXPI-GYXIZQIFSA-N 2 1 335.492 1.619 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000907958569 592233409 /nfs/dbraw/zinc/23/34/09/592233409.db2.gz GWODCNNXZKJWED-MRXNPFEDSA-N 2 1 339.480 1.206 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000907958866 592234332 /nfs/dbraw/zinc/23/43/32/592234332.db2.gz DJMAPARJZKOMTH-HOJAQTOUSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000907958866 592234334 /nfs/dbraw/zinc/23/43/34/592234334.db2.gz DJMAPARJZKOMTH-HOJAQTOUSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000907958866 592234336 /nfs/dbraw/zinc/23/43/36/592234336.db2.gz DJMAPARJZKOMTH-HOJAQTOUSA-N 2 1 345.487 1.470 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906651576 592234465 /nfs/dbraw/zinc/23/44/65/592234465.db2.gz SDHQWIBAIZKCCB-ZDUSSCGKSA-N 2 1 332.448 1.277 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccccc3C[NH3+])C2)C1 ZINC000906667573 592249058 /nfs/dbraw/zinc/24/90/58/592249058.db2.gz FPLOAUJLJHNOEJ-GOSISDBHSA-N 2 1 330.432 1.028 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000904404825 592250165 /nfs/dbraw/zinc/25/01/65/592250165.db2.gz GAYCYUJCDJYECP-NSHDSACASA-N 2 1 341.839 1.383 20 0 EDADMP c1c(CNCc2ccncc2O[C@H]2CC[NH2+]C2)sc2c1C[NH2+]CC2 ZINC000904450940 592263627 /nfs/dbraw/zinc/26/36/27/592263627.db2.gz VWCZETVRCOANCA-HNNXBMFYSA-N 2 1 344.484 1.819 20 0 EDADMP CC1(C)CC[N@@H+](CCNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000904512129 592274614 /nfs/dbraw/zinc/27/46/14/592274614.db2.gz UERJWFKZXKRIHE-AWEZNQCLSA-N 2 1 331.464 1.751 20 0 EDADMP O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725167 592284931 /nfs/dbraw/zinc/28/49/31/592284931.db2.gz XOHZTWCZFAIODJ-DLBZAZTESA-N 2 1 335.492 1.383 20 0 EDADMP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000903730677 592287166 /nfs/dbraw/zinc/28/71/66/592287166.db2.gz YLGPQDGWPCJIFR-UCLAIMLFSA-N 2 1 347.434 1.631 20 0 EDADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000903730677 592287169 /nfs/dbraw/zinc/28/71/69/592287169.db2.gz YLGPQDGWPCJIFR-UCLAIMLFSA-N 2 1 347.434 1.631 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C12CC[NH+](CC1)C2 ZINC000901243085 592301666 /nfs/dbraw/zinc/30/16/66/592301666.db2.gz XAEKCZIEDOBEID-QZTJIDSGSA-N 2 1 343.471 1.081 20 0 EDADMP Cc1cnc(N2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)s1 ZINC000903739610 592302041 /nfs/dbraw/zinc/30/20/41/592302041.db2.gz MTVRTENGYHWCKQ-HNNXBMFYSA-N 2 1 336.505 1.732 20 0 EDADMP CCOCCN1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1CC ZINC000903740205 592302817 /nfs/dbraw/zinc/30/28/17/592302817.db2.gz SZHGERPWLMNHBK-SQNIBIBYSA-N 2 1 325.497 1.188 20 0 EDADMP CCOCC[N@@H+]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1CC ZINC000903740205 592302822 /nfs/dbraw/zinc/30/28/22/592302822.db2.gz SZHGERPWLMNHBK-SQNIBIBYSA-N 2 1 325.497 1.188 20 0 EDADMP CCOCC[N@H+]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1CC ZINC000903740205 592302828 /nfs/dbraw/zinc/30/28/28/592302828.db2.gz SZHGERPWLMNHBK-SQNIBIBYSA-N 2 1 325.497 1.188 20 0 EDADMP CCOC(=O)[C@]1(F)C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC12CCC2 ZINC000903769207 592311324 /nfs/dbraw/zinc/31/13/24/592311324.db2.gz ZRGJSTGEEAGIGK-QGPMSJSTSA-N 2 1 340.439 1.512 20 0 EDADMP CCOC(=O)[C@]1(F)C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC12CCC2 ZINC000903769207 592311327 /nfs/dbraw/zinc/31/13/27/592311327.db2.gz ZRGJSTGEEAGIGK-QGPMSJSTSA-N 2 1 340.439 1.512 20 0 EDADMP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)no1 ZINC000903780510 592320215 /nfs/dbraw/zinc/32/02/15/592320215.db2.gz HUDAELCWDCNXBW-ZAKACXBJSA-N 2 1 332.448 1.857 20 0 EDADMP C[N@@H+](CC(=O)NCCC1=CCCCC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903788386 592323463 /nfs/dbraw/zinc/32/34/63/592323463.db2.gz JREYOFVEHYKIJQ-HKUYNNGSSA-N 2 1 335.492 1.694 20 0 EDADMP C[N@H+](CC(=O)NCCC1=CCCCC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903788386 592323467 /nfs/dbraw/zinc/32/34/67/592323467.db2.gz JREYOFVEHYKIJQ-HKUYNNGSSA-N 2 1 335.492 1.694 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903820151 592333432 /nfs/dbraw/zinc/33/34/32/592333432.db2.gz VDWXZYVBPDXVGY-KRWDZBQOSA-N 2 1 334.460 1.579 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903820151 592333438 /nfs/dbraw/zinc/33/34/38/592333438.db2.gz VDWXZYVBPDXVGY-KRWDZBQOSA-N 2 1 334.460 1.579 20 0 EDADMP [NH3+]C[C@@]12CC[C@@H]1CCN2CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000903856521 592347818 /nfs/dbraw/zinc/34/78/18/592347818.db2.gz RPQZHSYJEQKAPM-QUCCMNQESA-N 2 1 342.487 1.144 20 0 EDADMP C/C(=C\C(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1)CN1CCOCC1 ZINC000908159159 592353598 /nfs/dbraw/zinc/35/35/98/592353598.db2.gz GDMMPRQKYVSGKX-NTCAYCPXSA-N 2 1 332.448 1.469 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903885718 592363610 /nfs/dbraw/zinc/36/36/10/592363610.db2.gz JVJPOLYJJBKXCV-QGZVFWFLSA-N 2 1 334.512 1.755 20 0 EDADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903885718 592363614 /nfs/dbraw/zinc/36/36/14/592363614.db2.gz JVJPOLYJJBKXCV-QGZVFWFLSA-N 3 1 334.512 1.755 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903885718 592363616 /nfs/dbraw/zinc/36/36/16/592363616.db2.gz JVJPOLYJJBKXCV-QGZVFWFLSA-N 3 1 334.512 1.755 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)CCOCc2ccccc2)cnn1C ZINC000903898642 592368246 /nfs/dbraw/zinc/36/82/46/592368246.db2.gz MMKPYNPCPQEWFX-GOSISDBHSA-N 2 1 330.476 1.995 20 0 EDADMP COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903902497 592371802 /nfs/dbraw/zinc/37/18/02/592371802.db2.gz HUHCMJIPHFZUKD-HUUCEWRRSA-N 2 1 349.479 1.614 20 0 EDADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903902497 592371806 /nfs/dbraw/zinc/37/18/06/592371806.db2.gz HUHCMJIPHFZUKD-HUUCEWRRSA-N 2 1 349.479 1.614 20 0 EDADMP C[NH+]1CCN(C[C@H]([NH2+]C[C@](C)(O)C(F)F)c2ccccc2)CC1 ZINC000905089031 592393066 /nfs/dbraw/zinc/39/30/66/592393066.db2.gz LBECOSDDXKOYFA-RDJZCZTQSA-N 2 1 327.419 1.581 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cnc3nc(C)cc(C)n13)C2 ZINC000903979005 592400263 /nfs/dbraw/zinc/40/02/63/592400263.db2.gz RTSHVALAQWEHAF-IYOUNJFTSA-N 2 1 343.431 1.058 20 0 EDADMP C[C@@]1(C[NH+]2CCC3(CC2)CNC(=O)c2ccccc2O3)CC[NH2+]C1 ZINC000903986152 592405271 /nfs/dbraw/zinc/40/52/71/592405271.db2.gz GTVRHSMCFSZHNA-GOSISDBHSA-N 2 1 329.444 1.643 20 0 EDADMP Cc1ncc(CNC2(C(=O)[O-])CC[NH+](Cc3ccccc3)CC2)n1C ZINC000904010887 592410827 /nfs/dbraw/zinc/41/08/27/592410827.db2.gz RLAYOKXWDFCTFN-UHFFFAOYSA-N 2 1 342.443 1.938 20 0 EDADMP O[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)C[C@@H](O)c1ccccc1 ZINC000905093888 592418874 /nfs/dbraw/zinc/41/88/74/592418874.db2.gz NJWWTQNFOPLCDW-RTBURBONSA-N 2 1 348.487 1.706 20 0 EDADMP C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC2(CO)CCCC2)[C@@H]1c1cccnc1 ZINC000905284311 592492276 /nfs/dbraw/zinc/49/22/76/592492276.db2.gz AYCLBOGSGYQHLI-OTWHNJEPSA-N 2 1 347.503 1.968 20 0 EDADMP C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC2(CO)CCCC2)[C@@H]1c1cccnc1 ZINC000905284311 592492278 /nfs/dbraw/zinc/49/22/78/592492278.db2.gz AYCLBOGSGYQHLI-OTWHNJEPSA-N 2 1 347.503 1.968 20 0 EDADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905365618 592516295 /nfs/dbraw/zinc/51/62/95/592516295.db2.gz CDHSYTPRRGOIRW-ROUUACIJSA-N 2 1 334.460 1.009 20 0 EDADMP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000908597671 592548442 /nfs/dbraw/zinc/54/84/42/592548442.db2.gz AIZMGYHOEQPYJT-QGZVFWFLSA-N 2 1 337.508 1.745 20 0 EDADMP CC(C)O[C@]1(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CCOC1 ZINC000905559533 592566132 /nfs/dbraw/zinc/56/61/32/592566132.db2.gz XWEFXZZCOABCRG-MOPGFXCFSA-N 2 1 336.476 1.653 20 0 EDADMP CC(C)O[C@]1(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CCOC1 ZINC000905559533 592566134 /nfs/dbraw/zinc/56/61/34/592566134.db2.gz XWEFXZZCOABCRG-MOPGFXCFSA-N 2 1 336.476 1.653 20 0 EDADMP COCc1cc(NCC[NH+]2CCC([NH3+])CC2)c2cc(F)ccc2n1 ZINC000905704463 592617141 /nfs/dbraw/zinc/61/71/41/592617141.db2.gz AYSTVDYDUZGJCR-UHFFFAOYSA-N 2 1 332.423 1.777 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C[C@]1(O)CCOC1 ZINC000905911731 592691704 /nfs/dbraw/zinc/69/17/04/592691704.db2.gz ZGVQLTKFBSYILW-VQTJNVASSA-N 2 1 348.487 1.186 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221868 592761041 /nfs/dbraw/zinc/76/10/41/592761041.db2.gz JDUWHUAWLSCTBG-HZPDHXFCSA-N 2 1 331.464 1.047 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000906440320 592818460 /nfs/dbraw/zinc/81/84/60/592818460.db2.gz DWNXUWDIEDAKSS-ROUUACIJSA-N 2 1 337.508 1.822 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)C1 ZINC000906440320 592818462 /nfs/dbraw/zinc/81/84/62/592818462.db2.gz DWNXUWDIEDAKSS-ROUUACIJSA-N 2 1 337.508 1.822 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)C1 ZINC000906440320 592818464 /nfs/dbraw/zinc/81/84/64/592818464.db2.gz DWNXUWDIEDAKSS-ROUUACIJSA-N 2 1 337.508 1.822 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000910876607 592899456 /nfs/dbraw/zinc/89/94/56/592899456.db2.gz XEQLNYJYEQJDIP-QGZVFWFLSA-N 2 1 325.497 1.270 20 0 EDADMP CC(C)[NH+](CCO)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000910876607 592899457 /nfs/dbraw/zinc/89/94/57/592899457.db2.gz XEQLNYJYEQJDIP-QGZVFWFLSA-N 2 1 325.497 1.270 20 0 EDADMP CC(C)[NH+](CCO)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000910876607 592899458 /nfs/dbraw/zinc/89/94/58/592899458.db2.gz XEQLNYJYEQJDIP-QGZVFWFLSA-N 2 1 325.497 1.270 20 0 EDADMP Cc1nccn1[C@H]1CCC[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000730939705 592919551 /nfs/dbraw/zinc/91/95/51/592919551.db2.gz LEOJZRTVTLCZGA-INIZCTEOSA-N 2 1 348.472 1.719 20 0 EDADMP CCO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000911635698 592971916 /nfs/dbraw/zinc/97/19/16/592971916.db2.gz LEYJBHFXUMZNAO-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000911827387 593017925 /nfs/dbraw/zinc/01/79/25/593017925.db2.gz UECGCLALQBTUAL-WCQYABFASA-N 2 1 344.253 1.557 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911836484 593019961 /nfs/dbraw/zinc/01/99/61/593019961.db2.gz ZEVCRZCHHKAXFM-DGCLKSJQSA-N 2 1 342.237 1.311 20 0 EDADMP CC1(C)[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C[C@H]1[NH+]1CCOCC1 ZINC000911847370 593025858 /nfs/dbraw/zinc/02/58/58/593025858.db2.gz UXJXLTRGUGCHGU-MWDXBVQZSA-N 2 1 335.492 1.619 20 0 EDADMP CC1(C)[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C[C@H]1[NH+]1CCOCC1 ZINC000911847370 593025860 /nfs/dbraw/zinc/02/58/60/593025860.db2.gz UXJXLTRGUGCHGU-MWDXBVQZSA-N 2 1 335.492 1.619 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)nc1F ZINC000912302610 593084345 /nfs/dbraw/zinc/08/43/45/593084345.db2.gz FCTNWLIMFWYQBB-NSHDSACASA-N 2 1 330.835 1.876 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)nc1F ZINC000912302610 593084346 /nfs/dbraw/zinc/08/43/46/593084346.db2.gz FCTNWLIMFWYQBB-NSHDSACASA-N 2 1 330.835 1.876 20 0 EDADMP C[NH+](C)CCOc1ccc(NC(=O)CC[NH+]2CCOCC2)cc1F ZINC000838284809 593150010 /nfs/dbraw/zinc/15/00/10/593150010.db2.gz KEYIKTPDZSZYQI-UHFFFAOYSA-N 2 1 339.411 1.427 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=S)NCCC[NH+](C)C)C[C@@H](C)O1 ZINC000839400589 593297320 /nfs/dbraw/zinc/29/73/20/593297320.db2.gz RORPMAAVHNRRRD-ZIAGYGMSSA-N 2 1 330.542 1.290 20 0 EDADMP C[C@H](O)c1ncc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)s1 ZINC000816620590 593535645 /nfs/dbraw/zinc/53/56/45/593535645.db2.gz BJPRZMCYFAMOEP-ZDUSSCGKSA-N 2 1 340.493 1.278 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@H](O)c3ccc(F)cn3)CC2)nc(C)[nH+]1 ZINC000819136591 593740902 /nfs/dbraw/zinc/74/09/02/593740902.db2.gz LDNXEIYUCKKBAA-KRWDZBQOSA-N 2 1 345.422 1.920 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000820087544 593789852 /nfs/dbraw/zinc/78/98/52/593789852.db2.gz XQMSMPSFKNZKIA-BMGDILEWSA-N 2 1 348.491 1.736 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000820087544 593789853 /nfs/dbraw/zinc/78/98/53/593789853.db2.gz XQMSMPSFKNZKIA-BMGDILEWSA-N 2 1 348.491 1.736 20 0 EDADMP C[NH+](C)CCOc1ccc(CCC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000820273664 593805289 /nfs/dbraw/zinc/80/52/89/593805289.db2.gz YZORUHYHGDJJQY-PKOBYXMFSA-N 2 1 345.487 1.722 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000820708543 593867852 /nfs/dbraw/zinc/86/78/52/593867852.db2.gz PICXJCYUZJMQDR-RTBURBONSA-N 2 1 345.487 1.395 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000820708543 593867854 /nfs/dbraw/zinc/86/78/54/593867854.db2.gz PICXJCYUZJMQDR-RTBURBONSA-N 2 1 345.487 1.395 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000820708543 593867856 /nfs/dbraw/zinc/86/78/56/593867856.db2.gz PICXJCYUZJMQDR-RTBURBONSA-N 2 1 345.487 1.395 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1-c1nn[nH]n1 ZINC000821809120 593944911 /nfs/dbraw/zinc/94/49/11/593944911.db2.gz MGDDVUPOPVVQCW-KGLIPLIRSA-N 2 1 328.420 1.592 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1-c1nn[nH]n1 ZINC000821809120 593944913 /nfs/dbraw/zinc/94/49/13/593944913.db2.gz MGDDVUPOPVVQCW-KGLIPLIRSA-N 2 1 328.420 1.592 20 0 EDADMP O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000821052689 593954690 /nfs/dbraw/zinc/95/46/90/593954690.db2.gz PCMIRXJXMNONOO-INIZCTEOSA-N 2 1 349.475 1.842 20 0 EDADMP C[C@@H](CCO)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824407863 594004969 /nfs/dbraw/zinc/00/49/69/594004969.db2.gz ZQNGMQXIQUTRLP-AWEZNQCLSA-N 2 1 344.463 1.439 20 0 EDADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000824585251 594043174 /nfs/dbraw/zinc/04/31/74/594043174.db2.gz OPFLBBIQJAVYTH-RHSMWYFYSA-N 2 1 344.463 1.754 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@](C)(O)c2ccccc2)CC1 ZINC000823584455 594219308 /nfs/dbraw/zinc/21/93/08/594219308.db2.gz GZUZQPOAWUIHPU-LJQANCHMSA-N 2 1 333.476 1.426 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@](C)(O)c2ccccc2)CC1 ZINC000823584455 594219309 /nfs/dbraw/zinc/21/93/09/594219309.db2.gz GZUZQPOAWUIHPU-LJQANCHMSA-N 2 1 333.476 1.426 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1)Cc1ccccc1 ZINC000828714560 594485691 /nfs/dbraw/zinc/48/56/91/594485691.db2.gz DSRNSIMXUJQUPA-LJQANCHMSA-N 2 1 344.503 1.390 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000841726757 594944099 /nfs/dbraw/zinc/94/40/99/594944099.db2.gz LRTXJKODEFZYCS-BBRMVZONSA-N 2 1 342.447 1.702 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000841727813 594944431 /nfs/dbraw/zinc/94/44/31/594944431.db2.gz XNXXAGFQCMHANN-XJKSGUPXSA-N 2 1 342.447 1.987 20 0 EDADMP C[C@@]1(CNC(=O)NC[C@@H]([NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841898224 594976781 /nfs/dbraw/zinc/97/67/81/594976781.db2.gz KPYBDEHWFQTFRP-MJGOQNOKSA-N 2 1 330.476 1.935 20 0 EDADMP CCCCC[C@@H](C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000843388156 595096966 /nfs/dbraw/zinc/09/69/66/595096966.db2.gz KZZIFYDMXOCXRV-CVEARBPZSA-N 2 1 325.497 1.759 20 0 EDADMP CCCCC[C@@H](C)NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000843388156 595096970 /nfs/dbraw/zinc/09/69/70/595096970.db2.gz KZZIFYDMXOCXRV-CVEARBPZSA-N 2 1 325.497 1.759 20 0 EDADMP Cc1cc(=O)oc2cc(OCC[N@@H+]3CCCO[C@@H](C[NH3+])C3)ccc12 ZINC000842479442 595116369 /nfs/dbraw/zinc/11/63/69/595116369.db2.gz SQEGWCAAYHBZJV-HNNXBMFYSA-N 2 1 332.400 1.530 20 0 EDADMP Cc1cc(=O)oc2cc(OCC[N@H+]3CCCO[C@@H](C[NH3+])C3)ccc12 ZINC000842479442 595116370 /nfs/dbraw/zinc/11/63/70/595116370.db2.gz SQEGWCAAYHBZJV-HNNXBMFYSA-N 2 1 332.400 1.530 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000843472880 595122168 /nfs/dbraw/zinc/12/21/68/595122168.db2.gz FVVHEHPKSCUBAY-ZDUSSCGKSA-N 2 1 343.431 1.724 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000846144874 595156579 /nfs/dbraw/zinc/15/65/79/595156579.db2.gz KSJBEEWCTHHIKJ-IAGOWNOFSA-N 2 1 332.448 1.068 20 0 EDADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000842672498 595166552 /nfs/dbraw/zinc/16/65/52/595166552.db2.gz YOGZFZNDHJZTPC-UHFFFAOYSA-N 2 1 342.491 1.775 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)cn1 ZINC000844170314 595290451 /nfs/dbraw/zinc/29/04/51/595290451.db2.gz ABWNMGCQDNRMOV-MRXNPFEDSA-N 2 1 327.432 1.970 20 0 EDADMP Cc1ccc(N2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000844222185 595307030 /nfs/dbraw/zinc/30/70/30/595307030.db2.gz ZIMOEWDCABKMGD-UHFFFAOYSA-N 2 1 330.476 1.329 20 0 EDADMP CCN1C[C@@H](CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)OC1=O ZINC000846839967 595325026 /nfs/dbraw/zinc/32/50/26/595325026.db2.gz WHRCEABRZWKYCD-FCLJQHQZSA-N 2 1 336.480 1.070 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])NCCOC)CC1 ZINC000849012034 595474556 /nfs/dbraw/zinc/47/45/56/595474556.db2.gz DRHPKSKDWIMVQP-UHFFFAOYSA-N 2 1 333.480 1.084 20 0 EDADMP C[C@@H]1CCCN(C(=[NH2+])NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000849073100 595478252 /nfs/dbraw/zinc/47/82/52/595478252.db2.gz JMQIBCCWAAQBSV-QGZVFWFLSA-N 2 1 344.507 1.850 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=S)NC[C@H]1CCCCO1 ZINC000849277125 595499956 /nfs/dbraw/zinc/49/99/56/595499956.db2.gz VPOFGLXVPPFBMZ-LSDHHAIUSA-N 2 1 330.542 1.292 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=S)NC[C@H]1CCCCO1 ZINC000849277125 595499957 /nfs/dbraw/zinc/49/99/57/595499957.db2.gz VPOFGLXVPPFBMZ-LSDHHAIUSA-N 2 1 330.542 1.292 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=S)NCC1CC[NH+](C)CC1 ZINC000849276795 595500004 /nfs/dbraw/zinc/50/00/04/595500004.db2.gz PKZTXWYOSQMTKI-HNNXBMFYSA-N 3 1 343.585 1.064 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=S)NCC1CC[NH+](C)CC1 ZINC000849276795 595500005 /nfs/dbraw/zinc/50/00/05/595500005.db2.gz PKZTXWYOSQMTKI-HNNXBMFYSA-N 3 1 343.585 1.064 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000849486802 595548069 /nfs/dbraw/zinc/54/80/69/595548069.db2.gz JAKVYKLJGBDUTC-ZWKOTPCHSA-N 2 1 347.507 1.448 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849512832 595555816 /nfs/dbraw/zinc/55/58/16/595555816.db2.gz LKUYKGUPRMTHKI-NJAFHUGGSA-N 2 1 347.507 1.304 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849512832 595555818 /nfs/dbraw/zinc/55/58/18/595555818.db2.gz LKUYKGUPRMTHKI-NJAFHUGGSA-N 2 1 347.507 1.304 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849512832 595555821 /nfs/dbraw/zinc/55/58/21/595555821.db2.gz LKUYKGUPRMTHKI-NJAFHUGGSA-N 2 1 347.507 1.304 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[N@H+]1C1CC1 ZINC000849559314 595567554 /nfs/dbraw/zinc/56/75/54/595567554.db2.gz TUNRUQRJUWSXMR-KCMWZYNZSA-N 2 1 345.491 1.197 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C[NH+]1C1CC1 ZINC000849559314 595567557 /nfs/dbraw/zinc/56/75/57/595567557.db2.gz TUNRUQRJUWSXMR-KCMWZYNZSA-N 2 1 345.491 1.197 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C[NH+]1C1CC1 ZINC000849559314 595567561 /nfs/dbraw/zinc/56/75/61/595567561.db2.gz TUNRUQRJUWSXMR-KCMWZYNZSA-N 2 1 345.491 1.197 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849561875 595568717 /nfs/dbraw/zinc/56/87/17/595568717.db2.gz LOSLOIMVDGHVDE-RNJTYBCJSA-N 2 1 345.491 1.054 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849561875 595568721 /nfs/dbraw/zinc/56/87/21/595568721.db2.gz LOSLOIMVDGHVDE-RNJTYBCJSA-N 2 1 345.491 1.054 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849561875 595568724 /nfs/dbraw/zinc/56/87/24/595568724.db2.gz LOSLOIMVDGHVDE-RNJTYBCJSA-N 2 1 345.491 1.054 20 0 EDADMP CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C[C@H]1C ZINC000849569894 595573953 /nfs/dbraw/zinc/57/39/53/595573953.db2.gz XAZHYWKZCMLJSQ-DJIMGWMZSA-N 2 1 333.480 1.008 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C[C@H]1C ZINC000849569894 595573954 /nfs/dbraw/zinc/57/39/54/595573954.db2.gz XAZHYWKZCMLJSQ-DJIMGWMZSA-N 2 1 333.480 1.008 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C[C@H]1C ZINC000849569894 595573955 /nfs/dbraw/zinc/57/39/55/595573955.db2.gz XAZHYWKZCMLJSQ-DJIMGWMZSA-N 2 1 333.480 1.008 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849582003 595581349 /nfs/dbraw/zinc/58/13/49/595581349.db2.gz KOIMCJVTTYGMQX-DLBZAZTESA-N 2 1 335.496 1.256 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852862558 595583003 /nfs/dbraw/zinc/58/30/03/595583003.db2.gz BHENLIILEXMFGU-CALCHBBNSA-N 2 1 334.508 1.313 20 0 EDADMP [NH3+][C@@H](C(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1ccc(F)cc1F ZINC000852875321 595593140 /nfs/dbraw/zinc/59/31/40/595593140.db2.gz IICKAFSSSGRTKB-OAHLLOKOSA-N 2 1 335.358 1.724 20 0 EDADMP O[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccn1 ZINC000853103671 595665668 /nfs/dbraw/zinc/66/56/68/595665668.db2.gz CRPXVESMIRMXDR-HKUYNNGSSA-N 2 1 327.428 1.471 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c(cc1O)OCO2 ZINC000855346193 595680642 /nfs/dbraw/zinc/68/06/42/595680642.db2.gz RDVAOVIXSRBSNY-LBPRGKRZSA-N 2 1 337.420 1.123 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c(cc1O)OCO2 ZINC000855346193 595680644 /nfs/dbraw/zinc/68/06/44/595680644.db2.gz RDVAOVIXSRBSNY-LBPRGKRZSA-N 2 1 337.420 1.123 20 0 EDADMP C[C@H](C[NH2+]Cc1cn(C)nc1Br)CN1CC[NH+](C)CC1 ZINC000858126231 595705476 /nfs/dbraw/zinc/70/54/76/595705476.db2.gz WUDWUNDXQZFVTN-GFCCVEGCSA-N 2 1 344.301 1.156 20 0 EDADMP OCc1cc(NCCCN2CCN(c3cc[nH+]cc3)CC2)cc[nH+]1 ZINC000858376564 595779175 /nfs/dbraw/zinc/77/91/75/595779175.db2.gz NBFJMBSQUIYIMM-UHFFFAOYSA-N 2 1 327.432 1.593 20 0 EDADMP Cn1c(Cl)cnc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850357726 595816722 /nfs/dbraw/zinc/81/67/22/595816722.db2.gz SRGLFRZEVZCOAM-HNNXBMFYSA-N 2 1 334.851 1.930 20 0 EDADMP Cn1c(Cl)cnc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850357726 595816725 /nfs/dbraw/zinc/81/67/25/595816725.db2.gz SRGLFRZEVZCOAM-HNNXBMFYSA-N 2 1 334.851 1.930 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000851666775 595876093 /nfs/dbraw/zinc/87/60/93/595876093.db2.gz IUJVUEVSTHZXMG-OCCSQVGLSA-N 2 1 330.423 1.690 20 0 EDADMP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000851951898 595984052 /nfs/dbraw/zinc/98/40/52/595984052.db2.gz GVBQHRHUVFIQDW-PMPSAXMXSA-N 2 1 329.485 1.534 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC3OCCO3)C2)ccn1 ZINC000856585472 596022937 /nfs/dbraw/zinc/02/29/37/596022937.db2.gz GGXQFWVAEREHCD-QGZVFWFLSA-N 2 1 335.448 1.749 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC3OCCO3)C2)ccn1 ZINC000856585472 596022943 /nfs/dbraw/zinc/02/29/43/596022943.db2.gz GGXQFWVAEREHCD-QGZVFWFLSA-N 2 1 335.448 1.749 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC3OCCO3)C2)ccn1 ZINC000856585472 596022949 /nfs/dbraw/zinc/02/29/49/596022949.db2.gz GGXQFWVAEREHCD-QGZVFWFLSA-N 2 1 335.448 1.749 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](O)C(F)(F)F)C2)ccn1 ZINC000856587509 596025086 /nfs/dbraw/zinc/02/50/86/596025086.db2.gz YVTRFSFQLDOIFA-GJZGRUSLSA-N 2 1 347.381 1.910 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](O)C(F)(F)F)C2)ccn1 ZINC000856587509 596025088 /nfs/dbraw/zinc/02/50/88/596025088.db2.gz YVTRFSFQLDOIFA-GJZGRUSLSA-N 2 1 347.381 1.910 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H](O)C(F)(F)F)C2)ccn1 ZINC000856587509 596025091 /nfs/dbraw/zinc/02/50/91/596025091.db2.gz YVTRFSFQLDOIFA-GJZGRUSLSA-N 2 1 347.381 1.910 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H](O)C(F)(F)F)C2)ccn1 ZINC000856587509 596025093 /nfs/dbraw/zinc/02/50/93/596025093.db2.gz YVTRFSFQLDOIFA-GJZGRUSLSA-N 2 1 347.381 1.910 20 0 EDADMP CCCNC(=O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597204 596028361 /nfs/dbraw/zinc/02/83/61/596028361.db2.gz FPVHVQGAVVWTEB-SFHVURJKSA-N 2 1 348.491 1.901 20 0 EDADMP CCCNC(=O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597204 596028363 /nfs/dbraw/zinc/02/83/63/596028363.db2.gz FPVHVQGAVVWTEB-SFHVURJKSA-N 2 1 348.491 1.901 20 0 EDADMP CCCNC(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597204 596028365 /nfs/dbraw/zinc/02/83/65/596028365.db2.gz FPVHVQGAVVWTEB-SFHVURJKSA-N 2 1 348.491 1.901 20 0 EDADMP CCCNC(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597204 596028368 /nfs/dbraw/zinc/02/83/68/596028368.db2.gz FPVHVQGAVVWTEB-SFHVURJKSA-N 2 1 348.491 1.901 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)[C@@H](C)C1 ZINC000866570473 596254324 /nfs/dbraw/zinc/25/43/24/596254324.db2.gz MEFDQDIYPUPSCH-GJZGRUSLSA-N 2 1 349.541 1.028 20 0 EDADMP O=C1CC2(CCOCC2)[N@H+](Cc2cccc3c2CC[NH2+]C3)CCN1 ZINC000866697136 596298053 /nfs/dbraw/zinc/29/80/53/596298053.db2.gz GXRBQNHAUDGBLS-UHFFFAOYSA-N 2 1 329.444 1.203 20 0 EDADMP O=C1CC2(CCOCC2)[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCN1 ZINC000866697136 596298054 /nfs/dbraw/zinc/29/80/54/596298054.db2.gz GXRBQNHAUDGBLS-UHFFFAOYSA-N 2 1 329.444 1.203 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)NCc3cccnc3N3CCCC3)CC[C@H]21 ZINC000868765405 596299081 /nfs/dbraw/zinc/29/90/81/596299081.db2.gz TZRFFQGBUHQVEW-DLBZAZTESA-N 2 1 343.475 1.917 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000866708121 596302728 /nfs/dbraw/zinc/30/27/28/596302728.db2.gz LKXXKOQXEJSOFZ-IMJJTQAJSA-N 2 1 335.379 1.071 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c2cccs2)CC1 ZINC000870854314 596377957 /nfs/dbraw/zinc/37/79/57/596377957.db2.gz UPLOCMXZEVNEHI-FSZRXZPDSA-N 2 1 348.516 1.280 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000870887733 596391063 /nfs/dbraw/zinc/39/10/63/596391063.db2.gz GQJOLKBSMHBPIA-SDDULXJBSA-N 2 1 337.508 1.772 20 0 EDADMP C[NH+](C)CCOc1ccc(/C=C\C(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000862725308 596396650 /nfs/dbraw/zinc/39/66/50/596396650.db2.gz KVVBPNPFSWRMNR-SDMNGIDPSA-N 2 1 331.460 1.851 20 0 EDADMP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000870928800 596409217 /nfs/dbraw/zinc/40/92/17/596409217.db2.gz RNFBBWFFJPJDHF-OTWHNJEPSA-N 2 1 345.487 1.911 20 0 EDADMP C[NH+](C)CCOc1ccc(CN[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1 ZINC000865656062 596640434 /nfs/dbraw/zinc/64/04/34/596640434.db2.gz RECWCLQXJBZDCA-KRWDZBQOSA-N 2 1 335.492 1.562 20 0 EDADMP C[NH+](C)CCOc1ccc(CN[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1 ZINC000865656062 596640437 /nfs/dbraw/zinc/64/04/37/596640437.db2.gz RECWCLQXJBZDCA-KRWDZBQOSA-N 2 1 335.492 1.562 20 0 EDADMP C[N@@H+](CC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2)[C@H]1CCSC1 ZINC000869815556 596646991 /nfs/dbraw/zinc/64/69/91/596646991.db2.gz QDSCTLJIHIZAIW-KRWDZBQOSA-N 2 1 345.512 1.768 20 0 EDADMP C[NH+](C)CCOc1ccc(CNc2cc3n(n2)CC[N@@H+](C)C3)cc1 ZINC000865844295 596700964 /nfs/dbraw/zinc/70/09/64/596700964.db2.gz HZFTXDTXKWFMLW-UHFFFAOYSA-N 2 1 329.448 1.881 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868232182 596738013 /nfs/dbraw/zinc/73/80/13/596738013.db2.gz MRWBBUCIMCXMTH-BEMMVCDISA-N 2 1 342.443 1.039 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000872145169 596809874 /nfs/dbraw/zinc/80/98/74/596809874.db2.gz PJHBUNOZVVBXFW-TVFCKZIOSA-N 2 1 338.492 1.933 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])[C@@H](C)C1 ZINC000872191233 596828126 /nfs/dbraw/zinc/82/81/26/596828126.db2.gz XUEHTBQNRIPXLQ-JKSUJKDBSA-N 2 1 340.512 1.153 20 0 EDADMP Cc1nnc(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000872208271 596836037 /nfs/dbraw/zinc/83/60/37/596836037.db2.gz HFUKCNLOOYUIJH-KRWDZBQOSA-N 2 1 332.473 1.616 20 0 EDADMP Cc1nnc(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000872208271 596836038 /nfs/dbraw/zinc/83/60/38/596836038.db2.gz HFUKCNLOOYUIJH-KRWDZBQOSA-N 2 1 332.473 1.616 20 0 EDADMP Cc1ccc([C@H](O)C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000872214264 596838401 /nfs/dbraw/zinc/83/84/01/596838401.db2.gz RVLPNGWOFAMVPL-IEBWSBKVSA-N 2 1 330.428 1.848 20 0 EDADMP Cc1ccc([C@H](O)C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000872214264 596838405 /nfs/dbraw/zinc/83/84/05/596838405.db2.gz RVLPNGWOFAMVPL-IEBWSBKVSA-N 2 1 330.428 1.848 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000872254773 596855452 /nfs/dbraw/zinc/85/54/52/596855452.db2.gz CYISDNMDEUUCQY-WCUHEIEPSA-N 2 1 349.381 1.845 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000872254773 596855454 /nfs/dbraw/zinc/85/54/54/596855454.db2.gz CYISDNMDEUUCQY-WCUHEIEPSA-N 2 1 349.381 1.845 20 0 EDADMP CC(=O)N1CC[C@H](N[C@H]2CC[N@H+](CC(C)(C)O)C2)c2ccccc21 ZINC000866412499 596880293 /nfs/dbraw/zinc/88/02/93/596880293.db2.gz JTBYRMBLRQUOAW-RDJZCZTQSA-N 2 1 331.460 1.919 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCCS1 ZINC000875712517 596956746 /nfs/dbraw/zinc/95/67/46/596956746.db2.gz FYQSYWNWIGBDIJ-GJZGRUSLSA-N 2 1 330.542 1.843 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCCS1 ZINC000875712517 596956748 /nfs/dbraw/zinc/95/67/48/596956748.db2.gz FYQSYWNWIGBDIJ-GJZGRUSLSA-N 2 1 330.542 1.843 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000874365656 597037260 /nfs/dbraw/zinc/03/72/60/597037260.db2.gz RUXLTZKAPREFGW-SJORKVTESA-N 2 1 344.459 1.382 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)C1 ZINC000876202373 597132453 /nfs/dbraw/zinc/13/24/53/597132453.db2.gz MWYDADFQAMTUSV-SJLPKXTDSA-N 2 1 338.496 1.149 20 0 EDADMP Cc1[nH+]ccn1CC(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000876521788 597229439 /nfs/dbraw/zinc/22/94/39/597229439.db2.gz WYDSJBYHUSDPLF-CQSZACIVSA-N 2 1 342.399 1.739 20 0 EDADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc(N)cn3)CC2)oc1C ZINC000873211896 597229843 /nfs/dbraw/zinc/22/98/43/597229843.db2.gz GNEGOUDASIDNIF-UHFFFAOYSA-N 2 1 330.436 1.665 20 0 EDADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)[nH]n1 ZINC000873226804 597233810 /nfs/dbraw/zinc/23/38/10/597233810.db2.gz BOMMRQTVPJYHFT-JKSUJKDBSA-N 2 1 347.507 1.910 20 0 EDADMP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)n[nH]1 ZINC000873226804 597233815 /nfs/dbraw/zinc/23/38/15/597233815.db2.gz BOMMRQTVPJYHFT-JKSUJKDBSA-N 2 1 347.507 1.910 20 0 EDADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)n[nH]1 ZINC000873226804 597233819 /nfs/dbraw/zinc/23/38/19/597233819.db2.gz BOMMRQTVPJYHFT-JKSUJKDBSA-N 2 1 347.507 1.910 20 0 EDADMP CC1([NH+]2CCCCC2)CCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000873227138 597234353 /nfs/dbraw/zinc/23/43/53/597234353.db2.gz HJLQFERYDKILEG-KRWDZBQOSA-N 2 1 336.524 1.524 20 0 EDADMP COC(=O)c1cnc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000873294505 597250159 /nfs/dbraw/zinc/25/01/59/597250159.db2.gz VYQJXQVRWGGHFV-RYUDHWBXSA-N 2 1 339.461 1.739 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000876721694 597304711 /nfs/dbraw/zinc/30/47/11/597304711.db2.gz WVSJLVRKXJATQB-IAGOWNOFSA-N 2 1 331.460 1.508 20 0 EDADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](N)C[NH+](C)C)c1 ZINC000876727969 597308846 /nfs/dbraw/zinc/30/88/46/597308846.db2.gz DZOMDHGXYHXRDK-INIZCTEOSA-N 2 1 329.448 1.882 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000876734957 597313261 /nfs/dbraw/zinc/31/32/61/597313261.db2.gz XEWAIZNAMMBQNF-JKSUJKDBSA-N 2 1 333.480 1.576 20 0 EDADMP C[NH+](C)C[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000876761095 597326736 /nfs/dbraw/zinc/32/67/36/597326736.db2.gz ZDPWVCHBQOGFSU-AZUAARDMSA-N 2 1 344.503 1.390 20 0 EDADMP CC[N@@H+](CCNC(=O)N(CCOC)CC1CC[NH+](C)CC1)C1CC1 ZINC000875206501 597330943 /nfs/dbraw/zinc/33/09/43/597330943.db2.gz KJMSPVOESBVFPR-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000876777452 597337032 /nfs/dbraw/zinc/33/70/32/597337032.db2.gz XIWKOQANCYXHIB-XQJUWPJRSA-N 2 1 343.475 1.590 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876837045 597354309 /nfs/dbraw/zinc/35/43/09/597354309.db2.gz BIXPSLKACZYQCX-HMOMSXHPSA-N 2 1 329.444 1.724 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000876955992 597395745 /nfs/dbraw/zinc/39/57/45/597395745.db2.gz DIYIUCCKJXBAKP-JKSUJKDBSA-N 2 1 347.507 1.966 20 0 EDADMP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)=NO1 ZINC000877143258 597442124 /nfs/dbraw/zinc/44/21/24/597442124.db2.gz JJLJXRJVDJMXRO-SJORKVTESA-N 2 1 344.459 1.651 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)CC1(O)CCCCC1 ZINC000878316172 597594865 /nfs/dbraw/zinc/59/48/65/597594865.db2.gz CAYRCCQELYGKPE-KRWDZBQOSA-N 2 1 327.513 1.002 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879570063 597635360 /nfs/dbraw/zinc/63/53/60/597635360.db2.gz WYPWFVNRLIYCDG-YQVWRLOYSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879570063 597635362 /nfs/dbraw/zinc/63/53/62/597635362.db2.gz WYPWFVNRLIYCDG-YQVWRLOYSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879570063 597635365 /nfs/dbraw/zinc/63/53/65/597635365.db2.gz WYPWFVNRLIYCDG-YQVWRLOYSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000879570063 597635368 /nfs/dbraw/zinc/63/53/68/597635368.db2.gz WYPWFVNRLIYCDG-YQVWRLOYSA-N 2 1 334.460 1.599 20 0 EDADMP CN(CCC[N@@H+](C)C[C@@H]1CCC2(CCOCC2)O1)CC[NH+](C)C ZINC000878623787 597659705 /nfs/dbraw/zinc/65/97/05/597659705.db2.gz XGVOWYUMMNUSTB-KRWDZBQOSA-N 2 1 327.513 1.530 20 0 EDADMP COC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CCCOC1 ZINC000883185826 597680325 /nfs/dbraw/zinc/68/03/25/597680325.db2.gz FLJJYUWKDVFUCS-IRXDYDNUSA-N 2 1 326.481 1.663 20 0 EDADMP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(=O)N2CCN(C)CC2)no1 ZINC000879681783 597684550 /nfs/dbraw/zinc/68/45/50/597684550.db2.gz HZYLITFWBUPCGM-MQVJKMGUSA-N 2 1 347.463 1.253 20 0 EDADMP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(=O)N2CC[NH+](C)CC2)no1 ZINC000879681783 597684551 /nfs/dbraw/zinc/68/45/51/597684551.db2.gz HZYLITFWBUPCGM-MQVJKMGUSA-N 2 1 347.463 1.253 20 0 EDADMP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(=O)N2CC[NH+](C)CC2)no1 ZINC000879681783 597684554 /nfs/dbraw/zinc/68/45/54/597684554.db2.gz HZYLITFWBUPCGM-MQVJKMGUSA-N 2 1 347.463 1.253 20 0 EDADMP COC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H]1CCCOC1 ZINC000883234463 597691390 /nfs/dbraw/zinc/69/13/90/597691390.db2.gz GMEWKYXIUFVRDI-AQNXPRMDSA-N 2 1 348.487 1.784 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(F)(F)C(F)(F)F ZINC000883361481 597724883 /nfs/dbraw/zinc/72/48/83/597724883.db2.gz DVWJLNPZKIVAKI-QWRGUYRKSA-N 2 1 332.313 1.388 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2CC)[C@H](C)C1 ZINC000883420325 597740454 /nfs/dbraw/zinc/74/04/54/597740454.db2.gz IINRPFSPTBHKMJ-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2CC)[C@H](C)C1 ZINC000883420325 597740456 /nfs/dbraw/zinc/74/04/56/597740456.db2.gz IINRPFSPTBHKMJ-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2CC)[C@H](C)C1 ZINC000883420325 597740457 /nfs/dbraw/zinc/74/04/57/597740457.db2.gz IINRPFSPTBHKMJ-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP CO[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000883447930 597750781 /nfs/dbraw/zinc/75/07/81/597750781.db2.gz PGYUFILYLDDTMU-KKUMJFAQSA-N 2 1 332.366 1.571 20 0 EDADMP CO[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000883447930 597750784 /nfs/dbraw/zinc/75/07/84/597750784.db2.gz PGYUFILYLDDTMU-KKUMJFAQSA-N 2 1 332.366 1.571 20 0 EDADMP C[C@@]12C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880021521 597812084 /nfs/dbraw/zinc/81/20/84/597812084.db2.gz CZCQHXNNJILGLB-TXPKVOOTSA-N 2 1 327.428 1.246 20 0 EDADMP C[C@@]12C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880021521 597812089 /nfs/dbraw/zinc/81/20/89/597812089.db2.gz CZCQHXNNJILGLB-TXPKVOOTSA-N 2 1 327.428 1.246 20 0 EDADMP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC000880021521 597812090 /nfs/dbraw/zinc/81/20/90/597812090.db2.gz CZCQHXNNJILGLB-TXPKVOOTSA-N 2 1 327.428 1.246 20 0 EDADMP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC000880021521 597812095 /nfs/dbraw/zinc/81/20/95/597812095.db2.gz CZCQHXNNJILGLB-TXPKVOOTSA-N 2 1 327.428 1.246 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883585904 597814481 /nfs/dbraw/zinc/81/44/81/597814481.db2.gz AMCLCXDSLQZTRT-WBAXXEDZSA-N 2 1 343.475 1.924 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883586380 597814665 /nfs/dbraw/zinc/81/46/65/597814665.db2.gz KQHKZHAKMJOLQB-YOEHRIQHSA-N 2 1 331.464 1.830 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883587043 597815385 /nfs/dbraw/zinc/81/53/85/597815385.db2.gz YRTMRFKDCPXNGC-SJLPKXTDSA-N 2 1 343.475 1.845 20 0 EDADMP COCC[N@H+](CC(=O)NCc1ccccc1C)CC1CC[NH+](C)CC1 ZINC000879123741 597826269 /nfs/dbraw/zinc/82/62/69/597826269.db2.gz YCXKKFUBDIRPAD-UHFFFAOYSA-N 2 1 347.503 1.901 20 0 EDADMP c1ncc2c(n1)CC[NH+](CCCCC[N@H+]1CCc3ncncc3C1)C2 ZINC000880596309 597976544 /nfs/dbraw/zinc/97/65/44/597976544.db2.gz JPDLFOFVOMQYQX-UHFFFAOYSA-N 2 1 338.459 1.853 20 0 EDADMP C[NH+](C)CCC[N@H+](C)CCNc1cc(C(F)F)nc2ncnn21 ZINC000882601366 598001350 /nfs/dbraw/zinc/00/13/50/598001350.db2.gz QUCHMJIHTPPIIS-UHFFFAOYSA-N 2 1 327.383 1.357 20 0 EDADMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(C(F)F)nc2ncnn21 ZINC000882601366 598001353 /nfs/dbraw/zinc/00/13/53/598001353.db2.gz QUCHMJIHTPPIIS-UHFFFAOYSA-N 2 1 327.383 1.357 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884189070 598020063 /nfs/dbraw/zinc/02/00/63/598020063.db2.gz WDQSNFDSALFPEW-MRXNPFEDSA-N 2 1 325.416 1.749 20 0 EDADMP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000884212348 598031044 /nfs/dbraw/zinc/03/10/44/598031044.db2.gz CCEHVCVTYOZZDR-RDJZCZTQSA-N 2 1 327.428 1.903 20 0 EDADMP C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000881020767 598054441 /nfs/dbraw/zinc/05/44/41/598054441.db2.gz PEHGFVCOAOFGPZ-SVGFKBNWSA-N 2 1 347.507 1.273 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000914075694 695070979 /nfs/dbraw/zinc/07/09/79/695070979.db2.gz FSLIGEJKLFDMPL-OAGGEKHMSA-N 2 1 340.537 1.597 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000914075694 695070981 /nfs/dbraw/zinc/07/09/81/695070981.db2.gz FSLIGEJKLFDMPL-OAGGEKHMSA-N 2 1 340.537 1.597 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000914112591 695116299 /nfs/dbraw/zinc/11/62/99/695116299.db2.gz POQNSVASANIDIN-AEFFLSMTSA-N 2 1 345.491 1.200 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000914112591 695116303 /nfs/dbraw/zinc/11/63/03/695116303.db2.gz POQNSVASANIDIN-AEFFLSMTSA-N 2 1 345.491 1.200 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCc2sccc2C1 ZINC000914192568 695261807 /nfs/dbraw/zinc/26/18/07/695261807.db2.gz BDNZRRLZPVJFET-GZBFAFLISA-N 2 1 336.505 1.887 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCc2sccc2C1 ZINC000914192568 695261808 /nfs/dbraw/zinc/26/18/08/695261808.db2.gz BDNZRRLZPVJFET-GZBFAFLISA-N 2 1 336.505 1.887 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000914192568 695261809 /nfs/dbraw/zinc/26/18/09/695261809.db2.gz BDNZRRLZPVJFET-GZBFAFLISA-N 2 1 336.505 1.887 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+]1CCc2sccc2C1 ZINC000914192568 695261810 /nfs/dbraw/zinc/26/18/10/695261810.db2.gz BDNZRRLZPVJFET-GZBFAFLISA-N 2 1 336.505 1.887 20 0 EDADMP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC000992777039 695317534 /nfs/dbraw/zinc/31/75/34/695317534.db2.gz XHVHWTOBBNCRHY-HRCADAONSA-N 2 1 330.476 1.999 20 0 EDADMP CCC(CC)[C@@H](CNS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)[NH+](C)C ZINC000914406716 695391140 /nfs/dbraw/zinc/39/11/40/695391140.db2.gz NJGPBCAUBFFZON-SJORKVTESA-N 2 1 345.553 1.758 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(c3cc[nH+]cc3)[C@H](C)C1)CC2 ZINC000915266069 695773851 /nfs/dbraw/zinc/77/38/51/695773851.db2.gz BKKGSWKHCAKHHY-ZBFHGGJFSA-N 2 1 339.443 1.886 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CC[N@H+]1C ZINC000915360465 695801115 /nfs/dbraw/zinc/80/11/15/695801115.db2.gz GJWFGKYPISHCRW-GOEBONIOSA-N 2 1 334.464 1.519 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCc2ccnn2C)[C@H]1C ZINC000994426156 696848602 /nfs/dbraw/zinc/84/86/02/696848602.db2.gz SXMFZSZFIXBPJZ-WMLDXEAASA-N 2 1 344.463 1.137 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCc2ccnn2C)[C@H]1C ZINC000994426156 696848605 /nfs/dbraw/zinc/84/86/05/696848605.db2.gz SXMFZSZFIXBPJZ-WMLDXEAASA-N 2 1 344.463 1.137 20 0 EDADMP CN(C)Cc1csc(CNC(=O)NCC[N@@H+](C)C2CCCC2)n1 ZINC000916973312 696866950 /nfs/dbraw/zinc/86/69/50/696866950.db2.gz YSHMJBNBOARZAW-UHFFFAOYSA-N 2 1 339.509 1.878 20 0 EDADMP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000918179505 697139262 /nfs/dbraw/zinc/13/92/62/697139262.db2.gz IGXBOAZGQPDGQT-MRXNPFEDSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@@H+](CCCC1CCN([C@@H]2CCOC2=O)CC1)[C@@H]1CCOC1=O ZINC000154718754 697160830 /nfs/dbraw/zinc/16/08/30/697160830.db2.gz JMFQODWUCAHQDS-HZPDHXFCSA-N 2 1 338.448 1.432 20 0 EDADMP CC[N@H+](CCCC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@@H]1CCOC1=O ZINC000154718754 697160831 /nfs/dbraw/zinc/16/08/31/697160831.db2.gz JMFQODWUCAHQDS-HZPDHXFCSA-N 2 1 338.448 1.432 20 0 EDADMP COc1ccc(C)cc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031577708 697274071 /nfs/dbraw/zinc/27/40/71/697274071.db2.gz OPZXJHDMJWQNPR-QGZVFWFLSA-N 2 1 331.460 1.646 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2c(F)cccc2F)C1 ZINC001031585115 697280856 /nfs/dbraw/zinc/28/08/56/697280856.db2.gz PQLOIEAWDKLVHM-KRWDZBQOSA-N 2 1 337.414 1.650 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2c(F)cccc2F)C1 ZINC001031585115 697280857 /nfs/dbraw/zinc/28/08/57/697280857.db2.gz PQLOIEAWDKLVHM-KRWDZBQOSA-N 2 1 337.414 1.650 20 0 EDADMP Cc1cccnc1CN1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668278 697459709 /nfs/dbraw/zinc/45/97/09/697459709.db2.gz CBWNINVLNUPOPB-MSOLQXFVSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668278 697459710 /nfs/dbraw/zinc/45/97/10/697459710.db2.gz CBWNINVLNUPOPB-MSOLQXFVSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668278 697459711 /nfs/dbraw/zinc/45/97/11/697459711.db2.gz CBWNINVLNUPOPB-MSOLQXFVSA-N 2 1 342.487 1.812 20 0 EDADMP CC(C)[C@H](CNC(=O)CCCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000920759798 697476003 /nfs/dbraw/zinc/47/60/03/697476003.db2.gz KEGCCVFHWFHYHB-KRWDZBQOSA-N 2 1 325.497 1.726 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001031675729 697488140 /nfs/dbraw/zinc/48/81/40/697488140.db2.gz QPLDXTWFXRSJPK-MRXNPFEDSA-N 2 1 332.448 1.181 20 0 EDADMP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031689086 697524409 /nfs/dbraw/zinc/52/44/09/697524409.db2.gz RUHBMEDTMGHJEF-RBUKOAKNSA-N 2 1 349.519 1.868 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)CCCOC)cc2)CC1 ZINC000921192819 697528372 /nfs/dbraw/zinc/52/83/72/697528372.db2.gz APMJSDIYTLFMGR-UHFFFAOYSA-N 2 1 348.491 1.735 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCC(F)(F)F)C2)C1 ZINC001031729733 698057817 /nfs/dbraw/zinc/05/78/17/698057817.db2.gz SIVWGNVBZZAUIR-CQSZACIVSA-N 2 1 335.414 1.965 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCC(F)(F)F)C2)C1 ZINC001031729733 698057819 /nfs/dbraw/zinc/05/78/19/698057819.db2.gz SIVWGNVBZZAUIR-CQSZACIVSA-N 2 1 335.414 1.965 20 0 EDADMP CO[C@@H](C[NH+]1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1)C1CCC1 ZINC001031732189 698124744 /nfs/dbraw/zinc/12/47/44/698124744.db2.gz XCHNAFWSASPJFO-SJORKVTESA-N 2 1 346.475 1.624 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940109078 700221729 /nfs/dbraw/zinc/22/17/29/700221729.db2.gz LBOUAARVMJHFCN-DLBZAZTESA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1C[N@@H+](CCCF)CC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943514513 698428093 /nfs/dbraw/zinc/42/80/93/698428093.db2.gz DCNCRJDLSOQPOA-GOEBONIOSA-N 2 1 339.459 1.245 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@H]3CCC(F)(F)C3)C2)O1 ZINC001031766036 699054826 /nfs/dbraw/zinc/05/48/26/699054826.db2.gz ZMOBEHOXDIMGPV-VNHYZAJKSA-N 2 1 345.434 1.189 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@H]3CCC(F)(F)C3)C2)O1 ZINC001031766036 699054828 /nfs/dbraw/zinc/05/48/28/699054828.db2.gz ZMOBEHOXDIMGPV-VNHYZAJKSA-N 2 1 345.434 1.189 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)o1 ZINC001031767104 699068668 /nfs/dbraw/zinc/06/86/68/699068668.db2.gz RFJIVMUMLGKUPQ-SJORKVTESA-N 2 1 346.475 1.856 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)o1 ZINC001031767104 699068672 /nfs/dbraw/zinc/06/86/72/699068672.db2.gz RFJIVMUMLGKUPQ-SJORKVTESA-N 2 1 346.475 1.856 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)s1 ZINC000939054426 699114953 /nfs/dbraw/zinc/11/49/53/699114953.db2.gz JGAXVQGYNUFUCX-BXUZGUMPSA-N 2 1 337.493 1.125 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cnns1 ZINC000939138350 699235688 /nfs/dbraw/zinc/23/56/88/699235688.db2.gz XJGVDCNAMPEGOB-GXTWGEPZSA-N 2 1 337.493 1.207 20 0 EDADMP CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941603755 701593570 /nfs/dbraw/zinc/59/35/70/701593570.db2.gz NZMITYSBXXFTOV-IEBWSBKVSA-N 2 1 348.535 1.632 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939257012 699434409 /nfs/dbraw/zinc/43/44/09/699434409.db2.gz IDCRLSJJHJBALB-CXAGYDPISA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)co1 ZINC000939258643 699436208 /nfs/dbraw/zinc/43/62/08/699436208.db2.gz SAXHLFJRHLLUEV-SUMWQHHRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC000939259914 699437934 /nfs/dbraw/zinc/43/79/34/699437934.db2.gz XGBSSRQDHSSWQJ-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000939314311 699488164 /nfs/dbraw/zinc/48/81/64/699488164.db2.gz LPJVKEXDKVVFET-IEBWSBKVSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1cccc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)c1 ZINC000939314307 699488206 /nfs/dbraw/zinc/48/82/06/699488206.db2.gz LPDHDOPDORIBKX-MJGOQNOKSA-N 2 1 345.487 1.654 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]CC1CC2(CCC2)C1 ZINC000939315450 699488775 /nfs/dbraw/zinc/48/87/75/699488775.db2.gz OUDPYUYMCWYFGR-AEFFLSMTSA-N 2 1 349.519 1.726 20 0 EDADMP C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]Cc1cnon1 ZINC000939505996 699630086 /nfs/dbraw/zinc/63/00/86/699630086.db2.gz KZTCKBPASYJGGI-SUMWQHHRSA-N 2 1 347.463 1.128 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ccc(C)nc2C)[C@@H](C)C1 ZINC000939748790 699895921 /nfs/dbraw/zinc/89/59/21/699895921.db2.gz RCSUTAUFDBODOX-UGSOOPFHSA-N 2 1 341.459 1.840 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ncccc2C)C1 ZINC000939750276 699897289 /nfs/dbraw/zinc/89/72/89/699897289.db2.gz YOYJSMNPLFXIOP-PBHICJAKSA-N 2 1 327.432 1.532 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cncc(C)c2)C1 ZINC000939745184 699910686 /nfs/dbraw/zinc/91/06/86/699910686.db2.gz BEIZHPMLLRGYPN-PBHICJAKSA-N 2 1 327.432 1.532 20 0 EDADMP CC(C)c1ocnc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939757073 699923708 /nfs/dbraw/zinc/92/37/08/699923708.db2.gz XMLDKUXCKDPMJL-ZBFHGGJFSA-N 2 1 334.464 1.830 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031850207 699940024 /nfs/dbraw/zinc/94/00/24/699940024.db2.gz TVOJOAZNQHDMFA-UHFFFAOYSA-N 2 1 335.411 1.900 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1)C1CCC1 ZINC000940153938 700283335 /nfs/dbraw/zinc/28/33/35/700283335.db2.gz GQNPNJAPKHZXQU-UHFFFAOYSA-N 2 1 337.493 1.493 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1)C1CCC1 ZINC000940153955 700283413 /nfs/dbraw/zinc/28/34/13/700283413.db2.gz HWYWKWZOURCAEP-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000940179231 700312596 /nfs/dbraw/zinc/31/25/96/700312596.db2.gz RTGDIUVGHASELM-QGZVFWFLSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000940327421 700504360 /nfs/dbraw/zinc/50/43/60/700504360.db2.gz BBRKDYBISQGSSU-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940328965 700507744 /nfs/dbraw/zinc/50/77/44/700507744.db2.gz OZXPOKSPJVKUMF-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)on1 ZINC000940329871 700509702 /nfs/dbraw/zinc/50/97/02/700509702.db2.gz ZBLBUOAKFCKNHT-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940472783 700658182 /nfs/dbraw/zinc/65/81/82/700658182.db2.gz XQNSBZUEEGPGSO-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP COc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000940457543 700661093 /nfs/dbraw/zinc/66/10/93/700661093.db2.gz JZBCJUYBXOWUKV-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ncccc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940457736 700661638 /nfs/dbraw/zinc/66/16/38/700661638.db2.gz RTOQZNPEGCLLFZ-INIZCTEOSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)ncn1 ZINC000940625865 700787659 /nfs/dbraw/zinc/78/76/59/700787659.db2.gz VZJZMOLCHIDVRN-IRXDYDNUSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)ncn1 ZINC000940625865 700787661 /nfs/dbraw/zinc/78/76/61/700787661.db2.gz VZJZMOLCHIDVRN-IRXDYDNUSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)ncn1 ZINC000940625865 700787664 /nfs/dbraw/zinc/78/76/64/700787664.db2.gz VZJZMOLCHIDVRN-IRXDYDNUSA-N 2 1 345.491 1.596 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCO)CC1(C)C ZINC000940736730 700877899 /nfs/dbraw/zinc/87/78/99/700877899.db2.gz IYSKSTKVISIDFX-CVEARBPZSA-N 2 1 325.497 1.458 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940736730 700877900 /nfs/dbraw/zinc/87/79/00/700877900.db2.gz IYSKSTKVISIDFX-CVEARBPZSA-N 2 1 325.497 1.458 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940736730 700877902 /nfs/dbraw/zinc/87/79/02/700877902.db2.gz IYSKSTKVISIDFX-CVEARBPZSA-N 2 1 325.497 1.458 20 0 EDADMP Cc1noc(CN2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940842350 700938236 /nfs/dbraw/zinc/93/82/36/700938236.db2.gz DRQSVSNQSLMPSS-CABCVRRESA-N 2 1 349.479 1.579 20 0 EDADMP Cc1noc(CN2CC[C@H](NC(=O)[C@H]3CCCCN3C)C(C)(C)C2)n1 ZINC000940842350 700938238 /nfs/dbraw/zinc/93/82/38/700938238.db2.gz DRQSVSNQSLMPSS-CABCVRRESA-N 2 1 349.479 1.579 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCO)CC1(C)C ZINC000940858368 700957346 /nfs/dbraw/zinc/95/73/46/700957346.db2.gz MDSAJLOQSOORKY-CVEARBPZSA-N 2 1 325.497 1.316 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCO)CC1(C)C ZINC000940858368 700957347 /nfs/dbraw/zinc/95/73/47/700957347.db2.gz MDSAJLOQSOORKY-CVEARBPZSA-N 2 1 325.497 1.316 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCO)CC1(C)C ZINC000940858368 700957348 /nfs/dbraw/zinc/95/73/48/700957348.db2.gz MDSAJLOQSOORKY-CVEARBPZSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940943708 701009994 /nfs/dbraw/zinc/00/99/94/701009994.db2.gz NAGSAKXFQOEVQK-GJZGRUSLSA-N 2 1 325.497 1.458 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)CC2(C)C)cc1 ZINC000941094059 701132339 /nfs/dbraw/zinc/13/23/39/701132339.db2.gz WOWIFMQYMRNYRN-QGZVFWFLSA-N 2 1 333.476 1.571 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)O)CC2(C)C)CC1 ZINC000941139536 701199715 /nfs/dbraw/zinc/19/97/15/701199715.db2.gz VMBXEBLNBWKSCC-DOTOQJQBSA-N 2 1 339.524 1.704 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(Cc3ccon3)CC2(C)C)C1 ZINC000941163988 701229109 /nfs/dbraw/zinc/22/91/09/701229109.db2.gz RDSIPVCTRAZWQA-HOCLYGCPSA-N 2 1 334.464 1.733 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1C[NH+](C[C@@H]3CCCCO3)C1)CC2 ZINC001031932056 701381394 /nfs/dbraw/zinc/38/13/94/701381394.db2.gz RMTHKUZEDCPYTI-WMZOPIPTSA-N 2 1 346.475 1.371 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941217146 701403445 /nfs/dbraw/zinc/40/34/45/701403445.db2.gz KDWQSKFIHYFSJG-RDJZCZTQSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217146 701403447 /nfs/dbraw/zinc/40/34/47/701403447.db2.gz KDWQSKFIHYFSJG-RDJZCZTQSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217146 701403449 /nfs/dbraw/zinc/40/34/49/701403449.db2.gz KDWQSKFIHYFSJG-RDJZCZTQSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cn3ccnc3C)C(C)(C)C2)o1 ZINC000941224506 701414590 /nfs/dbraw/zinc/41/45/90/701414590.db2.gz WILAJUQSKDZGLB-MRXNPFEDSA-N 2 1 345.447 1.905 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2)CC[N@H+]1C ZINC000999189602 706631962 /nfs/dbraw/zinc/63/19/62/706631962.db2.gz MAFUGNVGQBLLCW-IIDMSEBBSA-N 2 1 345.491 1.250 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2N(C)C)C1 ZINC001031977818 702038164 /nfs/dbraw/zinc/03/81/64/702038164.db2.gz JCUJPCDKMPSDLZ-MAUKXSAKSA-N 2 1 344.503 1.498 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995798885 702039704 /nfs/dbraw/zinc/03/97/04/702039704.db2.gz PNWVYPYXCXCHHK-JKSUJKDBSA-N 2 1 334.464 1.874 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995798885 702039712 /nfs/dbraw/zinc/03/97/12/702039712.db2.gz PNWVYPYXCXCHHK-JKSUJKDBSA-N 2 1 334.464 1.874 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CCC3)CC2)O1 ZINC000948542610 702073330 /nfs/dbraw/zinc/07/33/30/702073330.db2.gz UCDAQYJKAPCCSD-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CCC3)CC2)O1 ZINC000948542610 702073334 /nfs/dbraw/zinc/07/33/34/702073334.db2.gz UCDAQYJKAPCCSD-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CC3CCC3)CC2)O1 ZINC000948542610 702073339 /nfs/dbraw/zinc/07/33/39/702073339.db2.gz UCDAQYJKAPCCSD-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC3CCC3)CC2)O1 ZINC000948542610 702073344 /nfs/dbraw/zinc/07/33/44/702073344.db2.gz UCDAQYJKAPCCSD-BPQIPLTHSA-N 2 1 337.508 1.819 20 0 EDADMP Cc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cc1 ZINC001031980592 702139361 /nfs/dbraw/zinc/13/93/61/702139361.db2.gz WERAXJFASQJAJP-QFBILLFUSA-N 2 1 329.488 1.783 20 0 EDADMP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000995891781 702190351 /nfs/dbraw/zinc/19/03/51/702190351.db2.gz DHEYFFHXDHNXGX-IAGOWNOFSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nonc2C)C(C)(C)C1 ZINC000995886647 702222527 /nfs/dbraw/zinc/22/25/27/702222527.db2.gz NDSNGMMFCULNEU-HZPDHXFCSA-N 2 1 349.479 1.579 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nonc2C)C(C)(C)C1 ZINC000995886647 702222530 /nfs/dbraw/zinc/22/25/30/702222530.db2.gz NDSNGMMFCULNEU-HZPDHXFCSA-N 2 1 349.479 1.579 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3cccnc3)C(C)(C)C2)O1 ZINC000995957043 702322941 /nfs/dbraw/zinc/32/29/41/702322941.db2.gz JHXYDJZXQKJVQV-OIISXLGYSA-N 2 1 346.475 1.127 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3cccnc3)C(C)(C)C2)O1 ZINC000995957043 702322949 /nfs/dbraw/zinc/32/29/49/702322949.db2.gz JHXYDJZXQKJVQV-OIISXLGYSA-N 2 1 346.475 1.127 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001032186426 702325761 /nfs/dbraw/zinc/32/57/61/702325761.db2.gz QBYPHXSOZPNUQS-HUUCEWRRSA-N 2 1 329.435 1.812 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000995974076 702358788 /nfs/dbraw/zinc/35/87/88/702358788.db2.gz HNBZZCNEGMUOQP-IRXDYDNUSA-N 2 1 330.476 1.893 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccns3)C2)CC[N@H+]1C ZINC000999210630 706663456 /nfs/dbraw/zinc/66/34/56/706663456.db2.gz UEIOXLBZYWHPOT-VNQPRFMTSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944154598 702445391 /nfs/dbraw/zinc/44/53/91/702445391.db2.gz LKHZYIVORCZRCW-CZUORRHYSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)C(C)(C)C1 ZINC000996041817 702458315 /nfs/dbraw/zinc/45/83/15/702458315.db2.gz HPTHDGMSIQOEQF-OAHLLOKOSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)s2)C(C)(C)C1 ZINC000996042700 702459336 /nfs/dbraw/zinc/45/93/36/702459336.db2.gz LKSSUPDLSIBMBX-OAHLLOKOSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC000996042862 702460296 /nfs/dbraw/zinc/46/02/96/702460296.db2.gz NHNXMNBWEHKRAL-CVEARBPZSA-N 2 1 348.491 1.833 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)co1 ZINC000996222643 702633183 /nfs/dbraw/zinc/63/31/83/702633183.db2.gz OLCKDBCQOWUEFP-INIZCTEOSA-N 2 1 334.464 1.651 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCOC)CC1 ZINC000948416919 702684949 /nfs/dbraw/zinc/68/49/49/702684949.db2.gz SOUIYEVPJCLFEZ-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCOC)CC1 ZINC000948416919 702684952 /nfs/dbraw/zinc/68/49/52/702684952.db2.gz SOUIYEVPJCLFEZ-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000948416919 702684954 /nfs/dbraw/zinc/68/49/54/702684954.db2.gz SOUIYEVPJCLFEZ-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CC(C)c1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)o1 ZINC000995210500 702686239 /nfs/dbraw/zinc/68/62/39/702686239.db2.gz MCGIPPSNMDIPBP-CABCVRRESA-N 2 1 349.479 1.663 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000996299719 702690595 /nfs/dbraw/zinc/69/05/95/702690595.db2.gz CXUNPDZEBJCDJQ-ZIAGYGMSSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000996299719 702690596 /nfs/dbraw/zinc/69/05/96/702690596.db2.gz CXUNPDZEBJCDJQ-ZIAGYGMSSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3ccnn3C)C(C)(C)C2)C1 ZINC000996299892 702691032 /nfs/dbraw/zinc/69/10/32/702691032.db2.gz GHJSHWMRUZUNEY-ZBFHGGJFSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)ncn1 ZINC000996302226 702694377 /nfs/dbraw/zinc/69/43/77/702694377.db2.gz WZYIVMXBOIQVCD-YOEHRIQHSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)o1 ZINC000942260176 702769523 /nfs/dbraw/zinc/76/95/23/702769523.db2.gz WYCJMFWVPSHSMC-GDBMZVCRSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)o1 ZINC000942260176 702769524 /nfs/dbraw/zinc/76/95/24/702769524.db2.gz WYCJMFWVPSHSMC-GDBMZVCRSA-N 2 1 346.475 1.938 20 0 EDADMP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996479063 702810733 /nfs/dbraw/zinc/81/07/33/702810733.db2.gz VJWXNDHFLMETDX-RDJZCZTQSA-N 2 1 345.491 1.375 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3ncccn3)C(C)(C)C2)C1 ZINC000996516529 702851960 /nfs/dbraw/zinc/85/19/60/702851960.db2.gz APWBVCULRXGLLN-LSDHHAIUSA-N 2 1 331.464 1.145 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3ncccn3)C(C)(C)C2)C1 ZINC000996516529 702851962 /nfs/dbraw/zinc/85/19/62/702851962.db2.gz APWBVCULRXGLLN-LSDHHAIUSA-N 2 1 331.464 1.145 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CC[C@H]2CCCO2)C(C)(C)C1 ZINC000996611678 702917138 /nfs/dbraw/zinc/91/71/38/702917138.db2.gz NPTUUEOPYNBFEO-CVEARBPZSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)[nH]1 ZINC000996657748 702954275 /nfs/dbraw/zinc/95/42/75/702954275.db2.gz HQJURXAQGPQUNS-HNNXBMFYSA-N 2 1 348.495 1.172 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000996662145 702959866 /nfs/dbraw/zinc/95/98/66/702959866.db2.gz PINMGCMARQHOCF-GOSISDBHSA-N 2 1 347.507 1.684 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000996666525 702963620 /nfs/dbraw/zinc/96/36/20/702963620.db2.gz SVRQVBIKTHTMHV-UHFFFAOYSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC000996668909 702965540 /nfs/dbraw/zinc/96/55/40/702965540.db2.gz MHQSTEVFGKPYIP-INIZCTEOSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC000996668909 702965541 /nfs/dbraw/zinc/96/55/41/702965541.db2.gz MHQSTEVFGKPYIP-INIZCTEOSA-N 2 1 349.479 1.722 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2nncn2C)CC1 ZINC000996664278 702966354 /nfs/dbraw/zinc/96/63/54/702966354.db2.gz UKTSOKWMSNDAJB-GDBMZVCRSA-N 2 1 348.495 1.331 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)o1 ZINC000996664692 702966773 /nfs/dbraw/zinc/96/67/73/702966773.db2.gz HJZLDDCNHGVXED-UHFFFAOYSA-N 2 1 334.464 1.856 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996679184 702978330 /nfs/dbraw/zinc/97/83/30/702978330.db2.gz QKASZUYMRFLCJE-HNNXBMFYSA-N 2 1 329.404 1.529 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)co1 ZINC000996691994 702989123 /nfs/dbraw/zinc/98/91/23/702989123.db2.gz UVLDAPIPZPYNTB-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000996726047 703020710 /nfs/dbraw/zinc/02/07/10/703020710.db2.gz VQHUNYGABZVWEU-HIFRSBDPSA-N 2 1 349.479 1.758 20 0 EDADMP CCn1cc(CC[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000996726091 703021329 /nfs/dbraw/zinc/02/13/29/703021329.db2.gz WIIZDZQBJJWQEZ-GOSISDBHSA-N 2 1 347.507 1.510 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cncn2C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942554960 703068197 /nfs/dbraw/zinc/06/81/97/703068197.db2.gz BMXCEAFALIEWLJ-NVXWUHKLSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942554990 703068413 /nfs/dbraw/zinc/06/84/13/703068413.db2.gz BTNVZEYQYWCLEZ-ZBFHGGJFSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942554990 703068415 /nfs/dbraw/zinc/06/84/15/703068415.db2.gz BTNVZEYQYWCLEZ-ZBFHGGJFSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556260 703070426 /nfs/dbraw/zinc/07/04/26/703070426.db2.gz YLKKSBNELCHIDW-NVXWUHKLSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2cnc(C)nc2)CC1 ZINC000996800570 703086394 /nfs/dbraw/zinc/08/63/94/703086394.db2.gz GRRUZVNHFWZASL-UHFFFAOYSA-N 2 1 328.420 1.071 20 0 EDADMP CCc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CN(C)CCO2)c1 ZINC001032332919 703117962 /nfs/dbraw/zinc/11/79/62/703117962.db2.gz GFBGXWXKLMFMCI-GBESFXJTSA-N 2 1 343.471 1.365 20 0 EDADMP CCc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CN(C)CCO2)c1 ZINC001032332919 703117965 /nfs/dbraw/zinc/11/79/65/703117965.db2.gz GFBGXWXKLMFMCI-GBESFXJTSA-N 2 1 343.471 1.365 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996842698 703129325 /nfs/dbraw/zinc/12/93/25/703129325.db2.gz CNFVMICOIKLBBM-ZIAGYGMSSA-N 2 1 344.381 1.828 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3nnc(C)[nH]3)CC2)C1 ZINC000996904161 703178422 /nfs/dbraw/zinc/17/84/22/703178422.db2.gz NFFCDYRBRKVNDF-OAHLLOKOSA-N 2 1 348.495 1.316 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3nonc3C)CC2)C1 ZINC000996906072 703185235 /nfs/dbraw/zinc/18/52/35/703185235.db2.gz XDAGGWSIHXIBHO-OAHLLOKOSA-N 2 1 349.479 1.581 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC000996923295 703194405 /nfs/dbraw/zinc/19/44/05/703194405.db2.gz RZJIVUHGARWVRH-GUTXKFCHSA-N 2 1 349.479 1.750 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)o1 ZINC001032043279 703218826 /nfs/dbraw/zinc/21/88/26/703218826.db2.gz YWEALNCJSKZJIH-SJORKVTESA-N 2 1 346.475 1.856 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)o1 ZINC001032043279 703218829 /nfs/dbraw/zinc/21/88/29/703218829.db2.gz YWEALNCJSKZJIH-SJORKVTESA-N 2 1 346.475 1.856 20 0 EDADMP CCc1nocc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000996996306 703259433 /nfs/dbraw/zinc/25/94/33/703259433.db2.gz XUUUJXVLNOHONO-AWEZNQCLSA-N 2 1 334.464 1.802 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000996996982 703260654 /nfs/dbraw/zinc/26/06/54/703260654.db2.gz CXBHFLKNRDSYSN-HNNXBMFYSA-N 2 1 345.491 1.394 20 0 EDADMP CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2nc(C3CC3)no2)CC1)[NH+](C)C ZINC000997015911 703274763 /nfs/dbraw/zinc/27/47/63/703274763.db2.gz RWXDFHZFXWRPLZ-DOMZBBRYSA-N 2 1 349.479 1.929 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nncn2C)CC1 ZINC000997065050 703309699 /nfs/dbraw/zinc/30/96/99/703309699.db2.gz YHTIAKPIGGNSKJ-INIZCTEOSA-N 2 1 348.495 1.159 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821687 703330058 /nfs/dbraw/zinc/33/00/58/703330058.db2.gz GDCCWVBOVYDCSF-WBVHZDCISA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1C[NH+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821687 703330060 /nfs/dbraw/zinc/33/00/60/703330060.db2.gz GDCCWVBOVYDCSF-WBVHZDCISA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1C[NH+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821687 703330062 /nfs/dbraw/zinc/33/00/62/703330062.db2.gz GDCCWVBOVYDCSF-WBVHZDCISA-N 2 1 347.507 1.479 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000997095080 703334295 /nfs/dbraw/zinc/33/42/95/703334295.db2.gz ZGSHTHPIKGZUFM-UHFFFAOYSA-N 2 1 349.450 1.629 20 0 EDADMP Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000997093468 703340721 /nfs/dbraw/zinc/34/07/21/703340721.db2.gz OCRIPXDFGGMERE-SJORKVTESA-N 2 1 345.491 1.518 20 0 EDADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032406004 703430021 /nfs/dbraw/zinc/43/00/21/703430021.db2.gz UDQOXXVEJQHPFF-SZMVWBNQSA-N 2 1 335.492 1.309 20 0 EDADMP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1C[C@@H]2C[C@H]1C[NH+]2CCCO ZINC001032406004 703430023 /nfs/dbraw/zinc/43/00/23/703430023.db2.gz UDQOXXVEJQHPFF-SZMVWBNQSA-N 2 1 335.492 1.309 20 0 EDADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1C[C@@H]2C[C@H]1C[NH+]2CCCO ZINC001032406004 703430024 /nfs/dbraw/zinc/43/00/24/703430024.db2.gz UDQOXXVEJQHPFF-SZMVWBNQSA-N 2 1 335.492 1.309 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997185175 703474284 /nfs/dbraw/zinc/47/42/84/703474284.db2.gz RASHBHKKFZIICT-CQSZACIVSA-N 2 1 349.479 1.615 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997185175 703474287 /nfs/dbraw/zinc/47/42/87/703474287.db2.gz RASHBHKKFZIICT-CQSZACIVSA-N 2 1 349.479 1.615 20 0 EDADMP O=C(N1CCC([NH2+]Cc2cncc(F)c2)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000997218605 703496526 /nfs/dbraw/zinc/49/65/26/703496526.db2.gz AKMGADKCODIMSP-IBGZPJMESA-N 2 1 346.450 1.787 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC1CCC1 ZINC001032433177 703602511 /nfs/dbraw/zinc/60/25/11/703602511.db2.gz KXQZKRSOTKOXCF-XYJFISCASA-N 2 1 335.492 1.715 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC1CCC1 ZINC001032433177 703602513 /nfs/dbraw/zinc/60/25/13/703602513.db2.gz KXQZKRSOTKOXCF-XYJFISCASA-N 2 1 335.492 1.715 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032433177 703602515 /nfs/dbraw/zinc/60/25/15/703602515.db2.gz KXQZKRSOTKOXCF-XYJFISCASA-N 2 1 335.492 1.715 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032433177 703602516 /nfs/dbraw/zinc/60/25/16/703602516.db2.gz KXQZKRSOTKOXCF-XYJFISCASA-N 2 1 335.492 1.715 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001032445743 703614718 /nfs/dbraw/zinc/61/47/18/703614718.db2.gz PCWDIFVGJHZKMX-OKZBNKHCSA-N 2 1 345.491 1.125 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001032445743 703614719 /nfs/dbraw/zinc/61/47/19/703614719.db2.gz PCWDIFVGJHZKMX-OKZBNKHCSA-N 2 1 345.491 1.125 20 0 EDADMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997391019 703658061 /nfs/dbraw/zinc/65/80/61/703658061.db2.gz TXRXETKTHXVJSW-OAHLLOKOSA-N 2 1 345.491 1.233 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)on1 ZINC000997512337 703760324 /nfs/dbraw/zinc/76/03/24/703760324.db2.gz YKGGCEQYPHPDER-WMLDXEAASA-N 2 1 334.464 1.794 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001004202571 703935298 /nfs/dbraw/zinc/93/52/98/703935298.db2.gz DJLFGDMTELMLAE-HUUCEWRRSA-N 2 1 333.480 1.374 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1cccs1 ZINC001032521634 703974567 /nfs/dbraw/zinc/97/45/67/703974567.db2.gz GIHMHZQSSDZACR-GJZGRUSLSA-N 2 1 330.457 1.781 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1cccs1 ZINC001032521634 703974568 /nfs/dbraw/zinc/97/45/68/703974568.db2.gz GIHMHZQSSDZACR-GJZGRUSLSA-N 2 1 330.457 1.781 20 0 EDADMP Cc1nocc1CN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033070175 704099810 /nfs/dbraw/zinc/09/98/10/704099810.db2.gz ORMDOPXFXRWCSL-IAGOWNOFSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033070175 704099812 /nfs/dbraw/zinc/09/98/12/704099812.db2.gz ORMDOPXFXRWCSL-IAGOWNOFSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033070175 704099813 /nfs/dbraw/zinc/09/98/13/704099813.db2.gz ORMDOPXFXRWCSL-IAGOWNOFSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033070175 704099815 /nfs/dbraw/zinc/09/98/15/704099815.db2.gz ORMDOPXFXRWCSL-IAGOWNOFSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033070175 704099816 /nfs/dbraw/zinc/09/98/16/704099816.db2.gz ORMDOPXFXRWCSL-IAGOWNOFSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033081030 704135736 /nfs/dbraw/zinc/13/57/36/704135736.db2.gz KZLHRUNAWDTVEL-AEFFLSMTSA-N 2 1 346.475 1.666 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC001033083291 704141256 /nfs/dbraw/zinc/14/12/56/704141256.db2.gz WXSIRXPVUMPLDU-RDJZCZTQSA-N 2 1 348.516 1.826 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC001033083291 704141257 /nfs/dbraw/zinc/14/12/57/704141257.db2.gz WXSIRXPVUMPLDU-RDJZCZTQSA-N 2 1 348.516 1.826 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cncs3)C2)CC[N@H+]1C ZINC000999303317 706796489 /nfs/dbraw/zinc/79/64/89/706796489.db2.gz LBFCCCOPMXKTJA-HESLUPGFSA-N 2 1 336.505 1.952 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(F)cn3)C2)CC[N@H+]1C ZINC001033096959 704186220 /nfs/dbraw/zinc/18/62/20/704186220.db2.gz RQGSUQNHPSQTGO-OKZBNKHCSA-N 2 1 348.466 1.984 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(F)cn3)C2)CC[N@@H+]1C ZINC001033096959 704186222 /nfs/dbraw/zinc/18/62/22/704186222.db2.gz RQGSUQNHPSQTGO-OKZBNKHCSA-N 2 1 348.466 1.984 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(F)cn3)C2)CC[N@H+]1C ZINC001033096959 704186225 /nfs/dbraw/zinc/18/62/25/704186225.db2.gz RQGSUQNHPSQTGO-OKZBNKHCSA-N 2 1 348.466 1.984 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(F)cn3)C2)CC[NH+]1C ZINC001033096959 704186227 /nfs/dbraw/zinc/18/62/27/704186227.db2.gz RQGSUQNHPSQTGO-OKZBNKHCSA-N 2 1 348.466 1.984 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)CC[NH+]1C ZINC001033096959 704186230 /nfs/dbraw/zinc/18/62/30/704186230.db2.gz RQGSUQNHPSQTGO-OKZBNKHCSA-N 2 1 348.466 1.984 20 0 EDADMP CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598067 704309224 /nfs/dbraw/zinc/30/92/24/704309224.db2.gz WQEWUNFTJSFESG-MHORFTMASA-N 2 1 335.492 1.428 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NC[C@H](C)[NH+](C)C)C2)[C@H]1C(C)C ZINC000922743375 704309985 /nfs/dbraw/zinc/30/99/85/704309985.db2.gz PNRVIOOMWGXOSJ-CWIFOLKKSA-N 2 1 340.512 1.106 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CCC3CC3)CC2)C1 ZINC001004380741 704346755 /nfs/dbraw/zinc/34/67/55/704346755.db2.gz PEUNKNOTTXSOIP-RTBURBONSA-N 2 1 349.519 1.820 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CCC3CC3)CC2)C1 ZINC001004380741 704346758 /nfs/dbraw/zinc/34/67/58/704346758.db2.gz PEUNKNOTTXSOIP-RTBURBONSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CCC3CC3)CC2)C1 ZINC001004380741 704346761 /nfs/dbraw/zinc/34/67/61/704346761.db2.gz PEUNKNOTTXSOIP-RTBURBONSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CCC3CC3)CC2)C1 ZINC001004380741 704346764 /nfs/dbraw/zinc/34/67/64/704346764.db2.gz PEUNKNOTTXSOIP-RTBURBONSA-N 2 1 349.519 1.820 20 0 EDADMP C[N@@H+](CCCCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)C1CC1 ZINC000922808570 704384758 /nfs/dbraw/zinc/38/47/58/704384758.db2.gz CAMJMBJJWOCSCA-JKSUJKDBSA-N 2 1 340.537 1.740 20 0 EDADMP C[NH+](CCCCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C1CC1 ZINC000922808570 704384760 /nfs/dbraw/zinc/38/47/60/704384760.db2.gz CAMJMBJJWOCSCA-JKSUJKDBSA-N 2 1 340.537 1.740 20 0 EDADMP C[NH+](CCCCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)C1CC1 ZINC000922808570 704384762 /nfs/dbraw/zinc/38/47/62/704384762.db2.gz CAMJMBJJWOCSCA-JKSUJKDBSA-N 2 1 340.537 1.740 20 0 EDADMP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004435312 704409799 /nfs/dbraw/zinc/40/97/99/704409799.db2.gz AFCPPMRTESPNOS-MOPGFXCFSA-N 2 1 349.519 1.678 20 0 EDADMP C[C@@H](C(=O)N1CCC([NH2+]C2CCOCC2)CC1)[NH+]1CCSCC1 ZINC000922874579 704443601 /nfs/dbraw/zinc/44/36/01/704443601.db2.gz CAZPVXJVURNSAU-AWEZNQCLSA-N 2 1 341.521 1.183 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000997863711 704770746 /nfs/dbraw/zinc/77/07/46/704770746.db2.gz FGMUQHGNXOISLN-MRXNPFEDSA-N 2 1 331.464 1.289 20 0 EDADMP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997865208 704772535 /nfs/dbraw/zinc/77/25/35/704772535.db2.gz MHTVUDGOILCUQG-MRXNPFEDSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)on1 ZINC000997865151 704772620 /nfs/dbraw/zinc/77/26/20/704772620.db2.gz LSMMMVDEIDNEMX-QGZVFWFLSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC000997957484 705088897 /nfs/dbraw/zinc/08/88/97/705088897.db2.gz ZDVMHKNHUQFXIZ-UHFFFAOYSA-N 2 1 349.479 1.581 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CCC[N@H+](CCOC)CC1 ZINC000998045477 705241009 /nfs/dbraw/zinc/24/10/09/705241009.db2.gz KPYSPAITYPRXLZ-BRWVUGGUSA-N 2 1 341.496 1.055 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000998045477 705241011 /nfs/dbraw/zinc/24/10/11/705241011.db2.gz KPYSPAITYPRXLZ-BRWVUGGUSA-N 2 1 341.496 1.055 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@@H]1CCC[NH+](CCOC)CC1 ZINC000998045477 705241014 /nfs/dbraw/zinc/24/10/14/705241014.db2.gz KPYSPAITYPRXLZ-BRWVUGGUSA-N 2 1 341.496 1.055 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@@H]1CCC[NH+](CCOC)CC1 ZINC000998045477 705241015 /nfs/dbraw/zinc/24/10/15/705241015.db2.gz KPYSPAITYPRXLZ-BRWVUGGUSA-N 2 1 341.496 1.055 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CCC[N@@H+](CC)CC1 ZINC000998067452 705280047 /nfs/dbraw/zinc/28/00/47/705280047.db2.gz USFRAZVFILKJHB-DHADLLTHSA-N 2 1 335.492 1.573 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CCC[NH+](CC)CC1 ZINC000998067452 705280051 /nfs/dbraw/zinc/28/00/51/705280051.db2.gz USFRAZVFILKJHB-DHADLLTHSA-N 2 1 335.492 1.573 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CCC[NH+](CC)CC1 ZINC000998067452 705280055 /nfs/dbraw/zinc/28/00/55/705280055.db2.gz USFRAZVFILKJHB-DHADLLTHSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3cnns3)CC2)C1 ZINC000998081322 705302171 /nfs/dbraw/zinc/30/21/71/705302171.db2.gz JCJMIDGHQFXFDW-ZDUSSCGKSA-N 2 1 337.493 1.208 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)c(C)o1 ZINC000998079529 705304107 /nfs/dbraw/zinc/30/41/07/705304107.db2.gz QRXYSMVFIQCWRL-CXAGYDPISA-N 2 1 348.491 1.817 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1C ZINC000998079981 705304424 /nfs/dbraw/zinc/30/44/24/705304424.db2.gz XFAVWPGLGXWAJP-KSSFIOAISA-N 2 1 347.507 1.254 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000998083620 705313310 /nfs/dbraw/zinc/31/33/10/705313310.db2.gz WZZUOCOEZJGVTN-AWEZNQCLSA-N 2 1 349.479 1.302 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000998083620 705313312 /nfs/dbraw/zinc/31/33/12/705313312.db2.gz WZZUOCOEZJGVTN-AWEZNQCLSA-N 2 1 349.479 1.302 20 0 EDADMP CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2noc(C)n2)CC1)[NH+](C)C ZINC000998087427 705320182 /nfs/dbraw/zinc/32/01/82/705320182.db2.gz WFDSQMVSRSLJDA-WFASDCNBSA-N 2 1 337.468 1.607 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCOCC2)CC1 ZINC001032602940 705418959 /nfs/dbraw/zinc/41/89/59/705418959.db2.gz IOBPASKXSZBFDP-ROUUACIJSA-N 2 1 335.492 1.430 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]CC3CCOCC3)CC2)C1 ZINC000998216760 705538453 /nfs/dbraw/zinc/53/84/53/705538453.db2.gz KMVKKWJEJVOFRQ-GOSISDBHSA-N 2 1 337.508 1.583 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]Cc3cccnc3)CC2)C1 ZINC000998217775 705540131 /nfs/dbraw/zinc/54/01/31/705540131.db2.gz STBBIVJLAKEYMU-KRWDZBQOSA-N 2 1 330.476 1.752 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000998266267 705637949 /nfs/dbraw/zinc/63/79/49/705637949.db2.gz PPLZJZAIYVCFCN-INIZCTEOSA-N 2 1 333.480 1.008 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC000998269949 705647592 /nfs/dbraw/zinc/64/75/92/705647592.db2.gz RXDSKSIFKHPYEU-UHFFFAOYSA-N 2 1 335.452 1.056 20 0 EDADMP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629578 705752527 /nfs/dbraw/zinc/75/25/27/705752527.db2.gz DMZWQQIZMMESLM-JLSDUUJJSA-N 2 1 331.460 1.070 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000998549073 705984783 /nfs/dbraw/zinc/98/47/83/705984783.db2.gz KAPBGITXTQOQFC-BCLQGDPASA-N 2 1 332.448 1.725 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000998549073 705984786 /nfs/dbraw/zinc/98/47/86/705984786.db2.gz KAPBGITXTQOQFC-BCLQGDPASA-N 2 1 332.448 1.725 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000998548956 705984969 /nfs/dbraw/zinc/98/49/69/705984969.db2.gz JKWDZAVTXMWUGX-MQBCKMQZSA-N 2 1 332.448 1.725 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC000998587986 706027486 /nfs/dbraw/zinc/02/74/86/706027486.db2.gz WUMWFEJDQKXBLF-ABHNRTSZSA-N 2 1 335.492 1.787 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC000998587986 706027491 /nfs/dbraw/zinc/02/74/91/706027491.db2.gz WUMWFEJDQKXBLF-ABHNRTSZSA-N 2 1 335.492 1.787 20 0 EDADMP CN(C)c1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)ccn1 ZINC000998721489 706157329 /nfs/dbraw/zinc/15/73/29/706157329.db2.gz MKSOMYLXGXICIE-SJORKVTESA-N 2 1 345.491 1.322 20 0 EDADMP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998762739 706201199 /nfs/dbraw/zinc/20/11/99/706201199.db2.gz GPVDNELTRNUSLJ-GPANFISMSA-N 2 1 334.464 1.935 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)no1 ZINC000998764719 706204120 /nfs/dbraw/zinc/20/41/20/706204120.db2.gz UGWCZFNYTXNZBC-PREGVCBESA-N 2 1 334.464 1.935 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)no1 ZINC000998764719 706204121 /nfs/dbraw/zinc/20/41/21/706204121.db2.gz UGWCZFNYTXNZBC-PREGVCBESA-N 2 1 334.464 1.935 20 0 EDADMP CCn1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000998791567 706238552 /nfs/dbraw/zinc/23/85/52/706238552.db2.gz OVIUVXWENORACK-PRLABOORSA-N 2 1 348.495 1.026 20 0 EDADMP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998798134 706245269 /nfs/dbraw/zinc/24/52/69/706245269.db2.gz YTKBWWWNGPRCNC-AGERRDQYSA-N 2 1 330.476 1.809 20 0 EDADMP CCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000998825970 706272648 /nfs/dbraw/zinc/27/26/48/706272648.db2.gz NZNGCOKFMFGSMK-MOPGFXCFSA-N 2 1 345.487 1.660 20 0 EDADMP CCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000998825970 706272649 /nfs/dbraw/zinc/27/26/49/706272649.db2.gz NZNGCOKFMFGSMK-MOPGFXCFSA-N 2 1 345.487 1.660 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000998868870 706292612 /nfs/dbraw/zinc/29/26/12/706292612.db2.gz ZMZNUNIQCAAXBX-OFLPRAFFSA-N 2 1 333.480 1.374 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2CC([NH2+]Cc3cnn(C)c3)C2)C1 ZINC000998896719 706323993 /nfs/dbraw/zinc/32/39/93/706323993.db2.gz AEXXIJXIROODCQ-AOCRQIFASA-N 2 1 347.507 1.477 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C1CC([NH2+]CC2CC2)C1 ZINC000998898475 706326028 /nfs/dbraw/zinc/32/60/28/706326028.db2.gz LLHAOSDNEYWMCN-VMWRSERWSA-N 2 1 335.492 1.619 20 0 EDADMP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)C1CC([NH2+]Cc2cccnc2)C1 ZINC000998902868 706339752 /nfs/dbraw/zinc/33/97/52/706339752.db2.gz ZLXVUKZZVWKLIX-JCYILVPMSA-N 2 1 339.443 1.935 20 0 EDADMP CN(C(=O)c1ccc2c[nH+]cn2c1)C1CC([NH2+]Cc2ccon2)C1 ZINC000999122899 706547933 /nfs/dbraw/zinc/54/79/33/706547933.db2.gz CZPVLNJZGKOMQJ-UHFFFAOYSA-N 2 1 325.372 1.715 20 0 EDADMP Cn1ncc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)n1 ZINC000999152774 706582207 /nfs/dbraw/zinc/58/22/07/706582207.db2.gz LVKXMARKLVKLRM-OAHLLOKOSA-N 2 1 348.495 1.160 20 0 EDADMP Cc1noc([C@H](C)[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000999339167 706830458 /nfs/dbraw/zinc/83/04/58/706830458.db2.gz KPOGUSSEFKPMGG-QGLTVNCISA-N 2 1 335.452 1.360 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000999352536 706865407 /nfs/dbraw/zinc/86/54/07/706865407.db2.gz JNJVPQRAQGKUIT-FUHWJXTLSA-N 2 1 335.492 1.620 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000999353203 706866117 /nfs/dbraw/zinc/86/61/17/706866117.db2.gz LNQASMXXVXXXED-SJORKVTESA-N 2 1 347.507 1.764 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999366329 706879832 /nfs/dbraw/zinc/87/98/32/706879832.db2.gz XAAXREADHLHURD-HNNXBMFYSA-N 2 1 334.464 1.802 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999512452 707010881 /nfs/dbraw/zinc/01/08/81/707010881.db2.gz PUOCBRFYHGJEEI-CVEARBPZSA-N 2 1 348.495 1.171 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999512452 707010884 /nfs/dbraw/zinc/01/08/84/707010884.db2.gz PUOCBRFYHGJEEI-CVEARBPZSA-N 2 1 348.495 1.171 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nc1 ZINC000999512932 707011763 /nfs/dbraw/zinc/01/17/63/707011763.db2.gz RNXWBEBPGJERDN-HZPDHXFCSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000999512932 707011764 /nfs/dbraw/zinc/01/17/64/707011764.db2.gz RNXWBEBPGJERDN-HZPDHXFCSA-N 2 1 331.464 1.350 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999490526 707026694 /nfs/dbraw/zinc/02/66/94/707026694.db2.gz KRZJKWQNNUNFQF-UHFFFAOYSA-N 2 1 344.463 1.519 20 0 EDADMP CC(C)c1cnc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000999699094 707226546 /nfs/dbraw/zinc/22/65/46/707226546.db2.gz VGZXRAKFLCFOPI-UHFFFAOYSA-N 2 1 346.475 1.973 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)s1 ZINC000999689262 707244618 /nfs/dbraw/zinc/24/46/18/707244618.db2.gz QPNLQIBHYYJBOL-WLYUNCDWSA-N 2 1 336.505 1.872 20 0 EDADMP CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731649 707270787 /nfs/dbraw/zinc/27/07/87/707270787.db2.gz VPXAKTMPOCWKHU-FGTMMUONSA-N 2 1 337.508 1.674 20 0 EDADMP CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731649 707270793 /nfs/dbraw/zinc/27/07/93/707270793.db2.gz VPXAKTMPOCWKHU-FGTMMUONSA-N 2 1 337.508 1.674 20 0 EDADMP CC(C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731649 707270796 /nfs/dbraw/zinc/27/07/96/707270796.db2.gz VPXAKTMPOCWKHU-FGTMMUONSA-N 2 1 337.508 1.674 20 0 EDADMP CC(C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731649 707270802 /nfs/dbraw/zinc/27/08/02/707270802.db2.gz VPXAKTMPOCWKHU-FGTMMUONSA-N 2 1 337.508 1.674 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](CCc2csc(C)n2)C1 ZINC001033264855 707286666 /nfs/dbraw/zinc/28/66/66/707286666.db2.gz DSFXHFOUDIZSNS-INIZCTEOSA-N 2 1 347.488 1.732 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](CCc2csc(C)n2)C1 ZINC001033264855 707286670 /nfs/dbraw/zinc/28/66/70/707286670.db2.gz DSFXHFOUDIZSNS-INIZCTEOSA-N 2 1 347.488 1.732 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033265426 707288990 /nfs/dbraw/zinc/28/89/90/707288990.db2.gz HDSYGICOGCOQED-MSOLQXFVSA-N 2 1 348.491 1.665 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033265426 707288995 /nfs/dbraw/zinc/28/89/95/707288995.db2.gz HDSYGICOGCOQED-MSOLQXFVSA-N 2 1 348.491 1.665 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000999711675 707307115 /nfs/dbraw/zinc/30/71/15/707307115.db2.gz FVFBIJPGENMLKR-SJORKVTESA-N 2 1 334.464 1.731 20 0 EDADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279591 707346919 /nfs/dbraw/zinc/34/69/19/707346919.db2.gz VQHJGHAGZVPALW-AGYKMIKPSA-N 2 1 349.519 1.819 20 0 EDADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033279591 707346924 /nfs/dbraw/zinc/34/69/24/707346924.db2.gz VQHJGHAGZVPALW-AGYKMIKPSA-N 2 1 349.519 1.819 20 0 EDADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033279591 707346928 /nfs/dbraw/zinc/34/69/28/707346928.db2.gz VQHJGHAGZVPALW-AGYKMIKPSA-N 2 1 349.519 1.819 20 0 EDADMP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999788446 707405490 /nfs/dbraw/zinc/40/54/90/707405490.db2.gz CICIYBRQFPOVBP-GDBMZVCRSA-N 2 1 333.436 1.025 20 0 EDADMP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033296423 707405980 /nfs/dbraw/zinc/40/59/80/707405980.db2.gz UCOACUZWIWRZMJ-RTBURBONSA-N 2 1 342.487 1.989 20 0 EDADMP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033296423 707405982 /nfs/dbraw/zinc/40/59/82/707405982.db2.gz UCOACUZWIWRZMJ-RTBURBONSA-N 2 1 342.487 1.989 20 0 EDADMP O=C(Cc1cnc[nH]1)N1CC[C@H]2C[N@H+](CCOC3CCC3)C[C@H]2CC1 ZINC000946800752 707452582 /nfs/dbraw/zinc/45/25/82/707452582.db2.gz JUMOJHKIZBLMQB-IYBDPMFKSA-N 2 1 346.475 1.692 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)s1 ZINC000999832203 707462655 /nfs/dbraw/zinc/46/26/55/707462655.db2.gz AFVWXVSOULUQSW-XGNXJENSSA-N 2 1 337.493 1.582 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CC3CC(F)(F)C3)C2)C1 ZINC000999860544 707496143 /nfs/dbraw/zinc/49/61/43/707496143.db2.gz CIIBFSPVHGOWDA-NRXISQOPSA-N 2 1 345.434 1.331 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CC3CC(F)(F)C3)C2)C1 ZINC000999860544 707496145 /nfs/dbraw/zinc/49/61/45/707496145.db2.gz CIIBFSPVHGOWDA-NRXISQOPSA-N 2 1 345.434 1.331 20 0 EDADMP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC([NH2+]Cc2cnon2)C1 ZINC000999871041 707513505 /nfs/dbraw/zinc/51/35/05/707513505.db2.gz SOKHVZUMDAMUIZ-UHFFFAOYSA-N 2 1 343.431 1.524 20 0 EDADMP C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001004942110 707687327 /nfs/dbraw/zinc/68/73/27/707687327.db2.gz LRTMQHPQNSMYNY-ZBFHGGJFSA-N 2 1 349.479 1.661 20 0 EDADMP C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001004942110 707687328 /nfs/dbraw/zinc/68/73/28/707687328.db2.gz LRTMQHPQNSMYNY-ZBFHGGJFSA-N 2 1 349.479 1.661 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)C1CCCCC1)C12CC[NH+](CC1)C2 ZINC001032734090 707743494 /nfs/dbraw/zinc/74/34/94/707743494.db2.gz WOQINHOJXPULNX-OKZBNKHCSA-N 2 1 347.503 1.309 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)s1 ZINC001033421105 707832808 /nfs/dbraw/zinc/83/28/08/707832808.db2.gz VGYPTEXMGFLPIP-ZFWWWQNUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)s1 ZINC001033421105 707832812 /nfs/dbraw/zinc/83/28/12/707832812.db2.gz VGYPTEXMGFLPIP-ZFWWWQNUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)s1 ZINC001033421105 707832815 /nfs/dbraw/zinc/83/28/15/707832815.db2.gz VGYPTEXMGFLPIP-ZFWWWQNUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)s1 ZINC001033421105 707832819 /nfs/dbraw/zinc/83/28/19/707832819.db2.gz VGYPTEXMGFLPIP-ZFWWWQNUSA-N 2 1 336.505 1.826 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001033427096 707850408 /nfs/dbraw/zinc/85/04/08/707850408.db2.gz XRHYAHXHOOVMSQ-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CC[C@@H]2CCCO2)C1 ZINC001033427096 707850411 /nfs/dbraw/zinc/85/04/11/707850411.db2.gz XRHYAHXHOOVMSQ-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CC[C@@H]2CCCO2)C1 ZINC001033427096 707850413 /nfs/dbraw/zinc/85/04/13/707850413.db2.gz XRHYAHXHOOVMSQ-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033476451 707937618 /nfs/dbraw/zinc/93/76/18/707937618.db2.gz ZHACCQFFTDQAIY-QZTJIDSGSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033476451 707937621 /nfs/dbraw/zinc/93/76/21/707937621.db2.gz ZHACCQFFTDQAIY-QZTJIDSGSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033476451 707937623 /nfs/dbraw/zinc/93/76/23/707937623.db2.gz ZHACCQFFTDQAIY-QZTJIDSGSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033476451 707937626 /nfs/dbraw/zinc/93/76/26/707937626.db2.gz ZHACCQFFTDQAIY-QZTJIDSGSA-N 2 1 347.507 1.716 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCc2ccccc2)C1 ZINC001032781267 707967025 /nfs/dbraw/zinc/96/70/25/707967025.db2.gz PGIXJPOAOCOBQS-QYZOEREBSA-N 2 1 327.472 1.856 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCc2ccccc2)C1 ZINC001032781267 707967029 /nfs/dbraw/zinc/96/70/29/707967029.db2.gz PGIXJPOAOCOBQS-QYZOEREBSA-N 2 1 327.472 1.856 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCc2ccccc2)C1 ZINC001032781267 707967033 /nfs/dbraw/zinc/96/70/33/707967033.db2.gz PGIXJPOAOCOBQS-QYZOEREBSA-N 2 1 327.472 1.856 20 0 EDADMP Cc1ccc(OCCN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001032781509 707968924 /nfs/dbraw/zinc/96/89/24/707968924.db2.gz YABVZSUWWMTZDH-SQNIBIBYSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1ccc(OCC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001032781509 707968928 /nfs/dbraw/zinc/96/89/28/707968928.db2.gz YABVZSUWWMTZDH-SQNIBIBYSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1ccc(OCC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001032781509 707968929 /nfs/dbraw/zinc/96/89/29/707968929.db2.gz YABVZSUWWMTZDH-SQNIBIBYSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1ccc(OCC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001032781509 707968931 /nfs/dbraw/zinc/96/89/31/707968931.db2.gz YABVZSUWWMTZDH-SQNIBIBYSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1ccc(OCC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001032781509 707968932 /nfs/dbraw/zinc/96/89/32/707968932.db2.gz YABVZSUWWMTZDH-SQNIBIBYSA-N 2 1 343.471 1.611 20 0 EDADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033508783 707981549 /nfs/dbraw/zinc/98/15/49/707981549.db2.gz OTJRCBGGIHRUMU-YOEHRIQHSA-N 2 1 346.475 1.029 20 0 EDADMP CNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033508783 707981550 /nfs/dbraw/zinc/98/15/50/707981550.db2.gz OTJRCBGGIHRUMU-YOEHRIQHSA-N 2 1 346.475 1.029 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001060963363 708059061 /nfs/dbraw/zinc/05/90/61/708059061.db2.gz IXVGJACWZUNUPZ-HOTGVXAUSA-N 2 1 331.464 1.838 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001060963363 708059063 /nfs/dbraw/zinc/05/90/63/708059063.db2.gz IXVGJACWZUNUPZ-HOTGVXAUSA-N 2 1 331.464 1.838 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1)[NH+]1CCCC1 ZINC001032803819 708091356 /nfs/dbraw/zinc/09/13/56/708091356.db2.gz MLURSZWUYLGHJB-BZSNNMDCSA-N 2 1 345.491 1.289 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1)[NH+]1CCCC1 ZINC001032803819 708091359 /nfs/dbraw/zinc/09/13/59/708091359.db2.gz MLURSZWUYLGHJB-BZSNNMDCSA-N 2 1 345.491 1.289 20 0 EDADMP Cc1cc(NC[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nc(C)[nH+]1 ZINC001060990953 708104880 /nfs/dbraw/zinc/10/48/80/708104880.db2.gz BQPJKSRBYNTBMN-GDBMZVCRSA-N 2 1 331.464 1.838 20 0 EDADMP Cc1cc(NC[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nc(C)[nH+]1 ZINC001060990953 708104884 /nfs/dbraw/zinc/10/48/84/708104884.db2.gz BQPJKSRBYNTBMN-GDBMZVCRSA-N 2 1 331.464 1.838 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001005180135 708123135 /nfs/dbraw/zinc/12/31/35/708123135.db2.gz QPDAEZZULKNSSH-QGZVFWFLSA-N 2 1 334.439 1.738 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001005180135 708123137 /nfs/dbraw/zinc/12/31/37/708123137.db2.gz QPDAEZZULKNSSH-QGZVFWFLSA-N 2 1 334.439 1.738 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1)OC ZINC001033530508 708150853 /nfs/dbraw/zinc/15/08/53/708150853.db2.gz CNYPFEPBRLRZCN-IRXDYDNUSA-N 2 1 325.497 1.676 20 0 EDADMP COCC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033540664 708198241 /nfs/dbraw/zinc/19/82/41/708198241.db2.gz SKOWBKZQXIYMBV-INIZCTEOSA-N 2 1 329.404 1.060 20 0 EDADMP COCC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033540664 708198242 /nfs/dbraw/zinc/19/82/42/708198242.db2.gz SKOWBKZQXIYMBV-INIZCTEOSA-N 2 1 329.404 1.060 20 0 EDADMP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033545962 708209025 /nfs/dbraw/zinc/20/90/25/708209025.db2.gz SDLWDUDTVGFDON-RHSMWYFYSA-N 2 1 343.431 1.449 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033545962 708209029 /nfs/dbraw/zinc/20/90/29/708209029.db2.gz SDLWDUDTVGFDON-RHSMWYFYSA-N 2 1 343.431 1.449 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001033592374 708290589 /nfs/dbraw/zinc/29/05/89/708290589.db2.gz GCLJNZSCTWXXFI-QGZVFWFLSA-N 2 1 328.460 1.519 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001771918 708294555 /nfs/dbraw/zinc/29/45/55/708294555.db2.gz HROFACXGMXBHGT-PBHICJAKSA-N 2 1 348.491 1.617 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC001033594514 708296789 /nfs/dbraw/zinc/29/67/89/708296789.db2.gz QVYLNTSILRVTRI-AWEZNQCLSA-N 2 1 334.489 1.580 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC001033594514 708296790 /nfs/dbraw/zinc/29/67/90/708296790.db2.gz QVYLNTSILRVTRI-AWEZNQCLSA-N 2 1 334.489 1.580 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001832823 708358607 /nfs/dbraw/zinc/35/86/07/708358607.db2.gz HZSTXXZNWBBLOZ-WMLDXEAASA-N 2 1 348.491 1.617 20 0 EDADMP COc1ccnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033665563 708448859 /nfs/dbraw/zinc/44/88/59/708448859.db2.gz OZJOFUODFFTDKU-GOEBONIOSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ccnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033665563 708448862 /nfs/dbraw/zinc/44/88/62/708448862.db2.gz OZJOFUODFFTDKU-GOEBONIOSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001033665563 708448865 /nfs/dbraw/zinc/44/88/65/708448865.db2.gz OZJOFUODFFTDKU-GOEBONIOSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033665563 708448867 /nfs/dbraw/zinc/44/88/67/708448867.db2.gz OZJOFUODFFTDKU-GOEBONIOSA-N 2 1 332.448 1.075 20 0 EDADMP CCOC1CC(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001033667485 708454943 /nfs/dbraw/zinc/45/49/43/708454943.db2.gz HGKOFAAZDOTUPV-AQFXKWCLSA-N 2 1 334.464 1.539 20 0 EDADMP CCOC1CC(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001033667485 708454946 /nfs/dbraw/zinc/45/49/46/708454946.db2.gz HGKOFAAZDOTUPV-AQFXKWCLSA-N 2 1 334.464 1.539 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001033671860 708462685 /nfs/dbraw/zinc/46/26/85/708462685.db2.gz KMBPYTOUOXTQMU-DLBZAZTESA-N 2 1 337.508 1.676 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001033671860 708462686 /nfs/dbraw/zinc/46/26/86/708462686.db2.gz KMBPYTOUOXTQMU-DLBZAZTESA-N 2 1 337.508 1.676 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001033671860 708462688 /nfs/dbraw/zinc/46/26/88/708462688.db2.gz KMBPYTOUOXTQMU-DLBZAZTESA-N 2 1 337.508 1.676 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001033671860 708462689 /nfs/dbraw/zinc/46/26/89/708462689.db2.gz KMBPYTOUOXTQMU-DLBZAZTESA-N 2 1 337.508 1.676 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC001033659146 708470267 /nfs/dbraw/zinc/47/02/67/708470267.db2.gz VMHQZNBGKPYSON-OALUTQOASA-N 2 1 345.487 1.219 20 0 EDADMP CC[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005385138 708825918 /nfs/dbraw/zinc/82/59/18/708825918.db2.gz POHCGDMCZJVHKN-JKSUJKDBSA-N 2 1 338.496 1.046 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC001033839797 708869964 /nfs/dbraw/zinc/86/99/64/708869964.db2.gz VNBKINYNJAZYRX-IJEWVQPXSA-N 2 1 336.505 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001033839797 708869968 /nfs/dbraw/zinc/86/99/68/708869968.db2.gz VNBKINYNJAZYRX-IJEWVQPXSA-N 2 1 336.505 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2cncs2)C1 ZINC001033839797 708869972 /nfs/dbraw/zinc/86/99/72/708869972.db2.gz VNBKINYNJAZYRX-IJEWVQPXSA-N 2 1 336.505 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2cncs2)C1 ZINC001033839797 708869975 /nfs/dbraw/zinc/86/99/75/708869975.db2.gz VNBKINYNJAZYRX-IJEWVQPXSA-N 2 1 336.505 1.906 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001002473342 709007421 /nfs/dbraw/zinc/00/74/21/709007421.db2.gz DQHKHXLKIRZMJK-KRWDZBQOSA-N 2 1 333.480 1.175 20 0 EDADMP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033983455 709192695 /nfs/dbraw/zinc/19/26/95/709192695.db2.gz RDSMNSGUWPCOAM-GOSISDBHSA-N 2 1 347.507 1.781 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(OC)nc2)C1 ZINC001034042822 709293819 /nfs/dbraw/zinc/29/38/19/709293819.db2.gz QEXXBJJKDCGBSV-IRXDYDNUSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(OC)nc2)C1 ZINC001034042822 709293820 /nfs/dbraw/zinc/29/38/20/709293820.db2.gz QEXXBJJKDCGBSV-IRXDYDNUSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(OC)nc2)C1 ZINC001034042822 709293821 /nfs/dbraw/zinc/29/38/21/709293821.db2.gz QEXXBJJKDCGBSV-IRXDYDNUSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(OC)nc2)C1 ZINC001034042822 709293822 /nfs/dbraw/zinc/29/38/22/709293822.db2.gz QEXXBJJKDCGBSV-IRXDYDNUSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001034046155 709298711 /nfs/dbraw/zinc/29/87/11/709298711.db2.gz UYQTXNAEEKVMMP-MSOLQXFVSA-N 2 1 345.487 1.940 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCOc2ccccc2)C1 ZINC001034046155 709298713 /nfs/dbraw/zinc/29/87/13/709298713.db2.gz UYQTXNAEEKVMMP-MSOLQXFVSA-N 2 1 345.487 1.940 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCOc2ccccc2)C1 ZINC001034046155 709298714 /nfs/dbraw/zinc/29/87/14/709298714.db2.gz UYQTXNAEEKVMMP-MSOLQXFVSA-N 2 1 345.487 1.940 20 0 EDADMP C[C@@]12CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702070342 709311734 /nfs/dbraw/zinc/31/17/34/709311734.db2.gz AUPVQLUIKSEURE-CMKODMSKSA-N 2 1 343.471 1.345 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC000946824327 709328368 /nfs/dbraw/zinc/32/83/68/709328368.db2.gz JGUQTNSHSBFLAT-HDICACEKSA-N 2 1 335.492 1.289 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC000946824327 709328369 /nfs/dbraw/zinc/32/83/69/709328369.db2.gz JGUQTNSHSBFLAT-HDICACEKSA-N 2 1 335.492 1.289 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001032827512 709347014 /nfs/dbraw/zinc/34/70/14/709347014.db2.gz WXORIESMBDVZGT-RCCFBDPRSA-N 2 1 331.460 1.395 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001032827512 709347015 /nfs/dbraw/zinc/34/70/15/709347015.db2.gz WXORIESMBDVZGT-RCCFBDPRSA-N 2 1 331.460 1.395 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001032827512 709347016 /nfs/dbraw/zinc/34/70/16/709347016.db2.gz WXORIESMBDVZGT-RCCFBDPRSA-N 2 1 331.460 1.395 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034131661 709401995 /nfs/dbraw/zinc/40/19/95/709401995.db2.gz OBGBNLHESNIKSJ-RDJZCZTQSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034131661 709401996 /nfs/dbraw/zinc/40/19/96/709401996.db2.gz OBGBNLHESNIKSJ-RDJZCZTQSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034131661 709401997 /nfs/dbraw/zinc/40/19/97/709401997.db2.gz OBGBNLHESNIKSJ-RDJZCZTQSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034131661 709401998 /nfs/dbraw/zinc/40/19/98/709401998.db2.gz OBGBNLHESNIKSJ-RDJZCZTQSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC001002830887 709442152 /nfs/dbraw/zinc/44/21/52/709442152.db2.gz DSOLECJNHXWGPW-KRWDZBQOSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001002835580 709447360 /nfs/dbraw/zinc/44/73/60/709447360.db2.gz ZATXGOOECYMGHF-PBHICJAKSA-N 2 1 346.475 1.966 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC3CC(F)(F)C3)CC2)CC[N@H+]1C ZINC001002851267 709461755 /nfs/dbraw/zinc/46/17/55/709461755.db2.gz FXVOQSSEQAUXTL-IUODEOHRSA-N 2 1 329.435 1.953 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002851465 709461952 /nfs/dbraw/zinc/46/19/52/709461952.db2.gz IESSIFJFFIQXNC-RHSMWYFYSA-N 2 1 333.480 1.149 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cc(C)n(C)n3)CC2)CC[N@@H+]1C ZINC001002858936 709466699 /nfs/dbraw/zinc/46/66/99/709466699.db2.gz JQTIXOINDJWDBJ-ZWKOTPCHSA-N 2 1 347.507 1.539 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cc(C)n(C)n3)CC2)CC[N@H+]1C ZINC001002858936 709466700 /nfs/dbraw/zinc/46/67/00/709466700.db2.gz JQTIXOINDJWDBJ-ZWKOTPCHSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002860601 709468528 /nfs/dbraw/zinc/46/85/28/709468528.db2.gz LPHYPDCIHNSKEN-GDBMZVCRSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002860601 709468529 /nfs/dbraw/zinc/46/85/29/709468529.db2.gz LPHYPDCIHNSKEN-GDBMZVCRSA-N 2 1 331.464 1.206 20 0 EDADMP CO[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290432 709715327 /nfs/dbraw/zinc/71/53/27/709715327.db2.gz GIJDQLNCSHLOTI-HOCLYGCPSA-N 2 1 330.432 1.954 20 0 EDADMP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001002996050 709744512 /nfs/dbraw/zinc/74/45/12/709744512.db2.gz VEHMYNKNOLRKEW-CVEARBPZSA-N 2 1 325.497 1.580 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CC[C@H]2CCOC2)C1 ZINC001034310472 709753811 /nfs/dbraw/zinc/75/38/11/709753811.db2.gz YLFUGGBXNKBMHD-IRXDYDNUSA-N 2 1 334.464 1.589 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001034310472 709753812 /nfs/dbraw/zinc/75/38/12/709753812.db2.gz YLFUGGBXNKBMHD-IRXDYDNUSA-N 2 1 334.464 1.589 20 0 EDADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034321996 709773222 /nfs/dbraw/zinc/77/32/22/709773222.db2.gz YEZDNRDKJLBAOK-SFANZJOMSA-N 2 1 347.503 1.787 20 0 EDADMP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034321996 709773225 /nfs/dbraw/zinc/77/32/25/709773225.db2.gz YEZDNRDKJLBAOK-SFANZJOMSA-N 2 1 347.503 1.787 20 0 EDADMP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034321996 709773228 /nfs/dbraw/zinc/77/32/28/709773228.db2.gz YEZDNRDKJLBAOK-SFANZJOMSA-N 2 1 347.503 1.787 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CC[N@H+]1C ZINC000702764977 709843560 /nfs/dbraw/zinc/84/35/60/709843560.db2.gz CBDQDPLQVJVXBN-KBUPBQIOSA-N 2 1 327.469 1.287 20 0 EDADMP CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000702810995 709856265 /nfs/dbraw/zinc/85/62/65/709856265.db2.gz XNSGCNPBHUWGBL-XJKSGUPXSA-N 2 1 339.480 1.431 20 0 EDADMP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001034375321 709868903 /nfs/dbraw/zinc/86/89/03/709868903.db2.gz AKOKKAPGFGDLKK-INIZCTEOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001034375321 709868907 /nfs/dbraw/zinc/86/89/07/709868907.db2.gz AKOKKAPGFGDLKK-INIZCTEOSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445178 709989705 /nfs/dbraw/zinc/98/97/05/709989705.db2.gz QLDZJADUWQEPQQ-CRAIPNDOSA-N 2 1 333.476 1.713 20 0 EDADMP Cn1cncc1C[N@@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034430931 709998010 /nfs/dbraw/zinc/99/80/10/709998010.db2.gz HWZVHWXGMJUBSC-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1cncc1C[N@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034430931 709998014 /nfs/dbraw/zinc/99/80/14/709998014.db2.gz HWZVHWXGMJUBSC-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP COC[C@@H](C)[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034431926 709999746 /nfs/dbraw/zinc/99/97/46/709999746.db2.gz QKYLENVJXPHPEY-NVXWUHKLSA-N 2 1 325.497 1.724 20 0 EDADMP COc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)ccn1 ZINC001003166795 710078507 /nfs/dbraw/zinc/07/85/07/710078507.db2.gz LOTUACZGDCWSMQ-KRWDZBQOSA-N 2 1 346.475 1.655 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CCC2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC001034489754 710107786 /nfs/dbraw/zinc/10/77/86/710107786.db2.gz CYRWHVVKXSRFGV-GOSISDBHSA-N 2 1 349.519 1.870 20 0 EDADMP Cn1nccc1CC[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034490078 710108290 /nfs/dbraw/zinc/10/82/90/710108290.db2.gz FZSAJSAHNBLEKN-INIZCTEOSA-N 2 1 345.491 1.029 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccns2)CC1)C12CCC[NH+]1CCC2 ZINC001003244259 710167107 /nfs/dbraw/zinc/16/71/07/710167107.db2.gz OXPFGQDWXXBMLB-UHFFFAOYSA-N 2 1 334.489 1.852 20 0 EDADMP COc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)ccn1 ZINC001034525395 710175145 /nfs/dbraw/zinc/17/51/45/710175145.db2.gz LXRUSGLVFCVHRP-SJORKVTESA-N 2 1 346.475 1.513 20 0 EDADMP COc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)ccn1 ZINC001034525395 710175146 /nfs/dbraw/zinc/17/51/46/710175146.db2.gz LXRUSGLVFCVHRP-SJORKVTESA-N 2 1 346.475 1.513 20 0 EDADMP COc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC001034525395 710175149 /nfs/dbraw/zinc/17/51/49/710175149.db2.gz LXRUSGLVFCVHRP-SJORKVTESA-N 2 1 346.475 1.513 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cc(C4CC4)no3)C2)C1 ZINC001034525820 710177101 /nfs/dbraw/zinc/17/71/01/710177101.db2.gz QEOYKPWRXJVDMQ-CVEARBPZSA-N 2 1 346.475 1.974 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cc(C4CC4)no3)C2)C1 ZINC001034525820 710177104 /nfs/dbraw/zinc/17/71/04/710177104.db2.gz QEOYKPWRXJVDMQ-CVEARBPZSA-N 2 1 346.475 1.974 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cc(C4CC4)no3)C2)C1 ZINC001034525820 710177107 /nfs/dbraw/zinc/17/71/07/710177107.db2.gz QEOYKPWRXJVDMQ-CVEARBPZSA-N 2 1 346.475 1.974 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cc(C4CC4)no3)C2)C1 ZINC001034525820 710177108 /nfs/dbraw/zinc/17/71/08/710177108.db2.gz QEOYKPWRXJVDMQ-CVEARBPZSA-N 2 1 346.475 1.974 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](CCc2ccns2)CC1 ZINC001003320062 710248609 /nfs/dbraw/zinc/24/86/09/710248609.db2.gz ZXTCDWRYFDKJKJ-UHFFFAOYSA-N 2 1 333.461 1.471 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003423187 710338669 /nfs/dbraw/zinc/33/86/69/710338669.db2.gz AOLZSTMLVXZELR-HNNXBMFYSA-N 2 1 345.491 1.993 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+]([C@@H](C)COC)CC2)C1 ZINC001003481957 710368372 /nfs/dbraw/zinc/36/83/72/710368372.db2.gz NUDWQICIPFXGQM-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1cccc(NCCNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)n1 ZINC000922204521 710421617 /nfs/dbraw/zinc/42/16/17/710421617.db2.gz XQPDVZNJKJHKAH-MRXNPFEDSA-N 2 1 349.479 1.602 20 0 EDADMP Cc1cccc(NCCNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[nH+]1 ZINC000922204521 710421620 /nfs/dbraw/zinc/42/16/20/710421620.db2.gz XQPDVZNJKJHKAH-MRXNPFEDSA-N 2 1 349.479 1.602 20 0 EDADMP Cc1cccc(NCCNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[nH+]1 ZINC000922204521 710421622 /nfs/dbraw/zinc/42/16/22/710421622.db2.gz XQPDVZNJKJHKAH-MRXNPFEDSA-N 2 1 349.479 1.602 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)ncn1 ZINC001003628701 710458699 /nfs/dbraw/zinc/45/86/99/710458699.db2.gz UQDIIJLMDKREOA-HNNXBMFYSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)ncn1 ZINC001003628701 710458700 /nfs/dbraw/zinc/45/87/00/710458700.db2.gz UQDIIJLMDKREOA-HNNXBMFYSA-N 2 1 331.464 1.350 20 0 EDADMP CCc1nocc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003636940 710466896 /nfs/dbraw/zinc/46/68/96/710466896.db2.gz YTAOSWOUFSZWFH-CZUORRHYSA-N 2 1 334.464 1.515 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000922264512 710549713 /nfs/dbraw/zinc/54/97/13/710549713.db2.gz UHCOMNAMELFFPF-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000922264512 710549714 /nfs/dbraw/zinc/54/97/14/710549714.db2.gz UHCOMNAMELFFPF-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000922264512 710549717 /nfs/dbraw/zinc/54/97/17/710549717.db2.gz UHCOMNAMELFFPF-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnon3)CC2)C1 ZINC001034711525 710867814 /nfs/dbraw/zinc/86/78/14/710867814.db2.gz CPEUHGBEAQORDY-BZUAXINKSA-N 2 1 349.479 1.709 20 0 EDADMP Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)n1 ZINC001034735627 710920857 /nfs/dbraw/zinc/92/08/57/710920857.db2.gz JTOFHBJTIKQCER-WKILWMFISA-N 2 1 347.507 1.669 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)on1 ZINC001034739193 710933473 /nfs/dbraw/zinc/93/34/73/710933473.db2.gz YVYPXEZKDRQKMC-MMTVNHQJSA-N 2 1 334.464 1.698 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)CC1 ZINC001034739249 710933501 /nfs/dbraw/zinc/93/35/01/710933501.db2.gz ZQWBTABEZWRJIW-KONPQCLYSA-N 2 1 347.507 1.177 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034750029 710957840 /nfs/dbraw/zinc/95/78/40/710957840.db2.gz RSUKBGWVNCAFSK-BFYDXBDKSA-N 2 1 349.479 1.850 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032959903 710994908 /nfs/dbraw/zinc/99/49/08/710994908.db2.gz KLYBGOFEQJNICQ-ROUUACIJSA-N 2 1 347.507 1.899 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032959903 710994909 /nfs/dbraw/zinc/99/49/09/710994909.db2.gz KLYBGOFEQJNICQ-ROUUACIJSA-N 2 1 347.507 1.899 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032959903 710994913 /nfs/dbraw/zinc/99/49/13/710994913.db2.gz KLYBGOFEQJNICQ-ROUUACIJSA-N 2 1 347.507 1.899 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032959903 710994915 /nfs/dbraw/zinc/99/49/15/710994915.db2.gz KLYBGOFEQJNICQ-ROUUACIJSA-N 2 1 347.507 1.899 20 0 EDADMP Cc1nsc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032965929 711019970 /nfs/dbraw/zinc/01/99/70/711019970.db2.gz ALDROEMXJFBQCQ-GDBMZVCRSA-N 2 1 336.505 1.887 20 0 EDADMP Cc1nsc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032965929 711019972 /nfs/dbraw/zinc/01/99/72/711019972.db2.gz ALDROEMXJFBQCQ-GDBMZVCRSA-N 2 1 336.505 1.887 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032965929 711019973 /nfs/dbraw/zinc/01/99/73/711019973.db2.gz ALDROEMXJFBQCQ-GDBMZVCRSA-N 2 1 336.505 1.887 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032965929 711019975 /nfs/dbraw/zinc/01/99/75/711019975.db2.gz ALDROEMXJFBQCQ-GDBMZVCRSA-N 2 1 336.505 1.887 20 0 EDADMP CCn1nnc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034793346 711123174 /nfs/dbraw/zinc/12/31/74/711123174.db2.gz XPLYWDKTCBOZNN-JYJNAYRXSA-N 2 1 348.495 1.075 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034796771 711129469 /nfs/dbraw/zinc/12/94/69/711129469.db2.gz MOWXCKTYMBRVEF-BQFCYCMXSA-N 2 1 347.507 1.812 20 0 EDADMP Cc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001034882058 711282463 /nfs/dbraw/zinc/28/24/63/711282463.db2.gz QYYYPMISKPXVGM-CABCVRRESA-N 2 1 336.505 1.935 20 0 EDADMP CC(C)c1ocnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001034885501 711289432 /nfs/dbraw/zinc/28/94/32/711289432.db2.gz VGNVSTQEODLOFU-ZBFHGGJFSA-N 2 1 334.464 1.973 20 0 EDADMP CC(C)c1ocnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001034885501 711289435 /nfs/dbraw/zinc/28/94/35/711289435.db2.gz VGNVSTQEODLOFU-ZBFHGGJFSA-N 2 1 334.464 1.973 20 0 EDADMP Cn1c(Cl)cnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001034885225 711289819 /nfs/dbraw/zinc/28/98/19/711289819.db2.gz RAUBOKWOZAZBEE-OLZOCXBDSA-N 2 1 339.871 1.248 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)on1 ZINC001034954900 711421503 /nfs/dbraw/zinc/42/15/03/711421503.db2.gz XASDYHVCDHREPS-IAGOWNOFSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)on1 ZINC001034954900 711421506 /nfs/dbraw/zinc/42/15/06/711421506.db2.gz XASDYHVCDHREPS-IAGOWNOFSA-N 2 1 334.464 1.938 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]Cc1ccns1 ZINC001034958305 711431636 /nfs/dbraw/zinc/43/16/36/711431636.db2.gz HAAQGCVNZCIZJH-UKRRQHHQSA-N 2 1 345.472 1.998 20 0 EDADMP Cc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034940078 711443514 /nfs/dbraw/zinc/44/35/14/711443514.db2.gz WJQUIILWUSVVTF-KBAYOESNSA-N 2 1 330.476 1.811 20 0 EDADMP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccn1 ZINC001034940054 711443555 /nfs/dbraw/zinc/44/35/55/711443555.db2.gz VAHNCKPEACSJHW-DJIMGWMZSA-N 2 1 346.475 1.511 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nccc(C)n2)CC[N@@H+]1C ZINC001034940645 711444443 /nfs/dbraw/zinc/44/44/43/711444443.db2.gz AKTFVURUHOGSKQ-IXDOHACOSA-N 2 1 345.491 1.596 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nccc(C)n2)CC[N@H+]1C ZINC001034940645 711444446 /nfs/dbraw/zinc/44/44/46/711444446.db2.gz AKTFVURUHOGSKQ-IXDOHACOSA-N 2 1 345.491 1.596 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2conc2C)CC[N@H+]1C ZINC001034940659 711444572 /nfs/dbraw/zinc/44/45/72/711444572.db2.gz AXHPIPZXZGODGB-IXDOHACOSA-N 2 1 334.464 1.794 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)c1Cl)C2 ZINC000922391086 711455575 /nfs/dbraw/zinc/45/55/75/711455575.db2.gz RVFTYWZQAAYLSU-KQTLUZQSSA-N 2 1 326.872 1.643 20 0 EDADMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C4CCC4)nn3)C2)[C@H]1C(C)C ZINC000922394617 711461038 /nfs/dbraw/zinc/46/10/38/711461038.db2.gz PKRVGPQBEJWWHS-NCXUSEDFSA-N 2 1 347.507 1.963 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C4CCC4)nn3)C2)[C@H]1C(C)C ZINC000922394617 711461040 /nfs/dbraw/zinc/46/10/40/711461040.db2.gz PKRVGPQBEJWWHS-NCXUSEDFSA-N 2 1 347.507 1.963 20 0 EDADMP COc1ccc(CC[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001004146792 711557404 /nfs/dbraw/zinc/55/74/04/711557404.db2.gz AQQSHJZIZOJTAV-KRWDZBQOSA-N 2 1 345.487 1.770 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3cccnc3C)CC2)C1 ZINC001004185240 711626867 /nfs/dbraw/zinc/62/68/67/711626867.db2.gz JZMSYEOYYBQENL-SFHVURJKSA-N 2 1 346.475 1.191 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3cccnc3C)CC2)C1 ZINC001004185240 711626870 /nfs/dbraw/zinc/62/68/70/711626870.db2.gz JZMSYEOYYBQENL-SFHVURJKSA-N 2 1 346.475 1.191 20 0 EDADMP CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2Cc2cnon2)CC1)[NH+](C)C ZINC001004548150 711958695 /nfs/dbraw/zinc/95/86/95/711958695.db2.gz QGBPNXDYKRZBBO-IRXDYDNUSA-N 2 1 349.479 1.613 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)cc2F)CC1 ZINC000186711283 712233008 /nfs/dbraw/zinc/23/30/08/712233008.db2.gz JHHRKNHASNZFNO-WMLDXEAASA-N 2 1 348.466 1.695 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[NH+](CC3CCOCC3)CC1)CC2 ZINC000557624676 306231110 /nfs/dbraw/zinc/23/11/10/306231110.db2.gz IDMWYXYTZURLLR-QGZVFWFLSA-N 2 1 346.475 1.325 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C1 ZINC000363877923 282257212 /nfs/dbraw/zinc/25/72/12/282257212.db2.gz XJYDMXIAQJYMRC-CVEARBPZSA-N 2 1 347.507 1.714 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C1 ZINC000363877923 282257217 /nfs/dbraw/zinc/25/72/17/282257217.db2.gz XJYDMXIAQJYMRC-CVEARBPZSA-N 2 1 347.507 1.714 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000337412177 539690598 /nfs/dbraw/zinc/69/05/98/539690598.db2.gz XOFSTZVSSANRFJ-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP OCC[C@@H]1CCCCC[NH+]1CC(O)C[N@@H+]1CCCCC[C@H]1CCO ZINC000342041277 539756046 /nfs/dbraw/zinc/75/60/46/539756046.db2.gz BSSPVUHSOHGMDX-ROUUACIJSA-N 2 1 342.524 1.601 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)C2)C1 ZINC000561773980 306290990 /nfs/dbraw/zinc/29/09/90/306290990.db2.gz RPNUUWCZVNMSBH-ICSRJNTNSA-N 2 1 342.487 1.848 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)C2)C1 ZINC000561773980 306290991 /nfs/dbraw/zinc/29/09/91/306290991.db2.gz RPNUUWCZVNMSBH-ICSRJNTNSA-N 2 1 342.487 1.848 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)C1 ZINC000561773980 306290992 /nfs/dbraw/zinc/29/09/92/306290992.db2.gz RPNUUWCZVNMSBH-ICSRJNTNSA-N 2 1 342.487 1.848 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](CC)CC)CC[N@H+]1C[C@H](C)O ZINC000345343889 539829133 /nfs/dbraw/zinc/82/91/33/539829133.db2.gz NCKNDZAZCXKVHE-HRCADAONSA-N 2 1 328.501 1.203 20 0 EDADMP C[N@@H+](C[C@H](O)CNC[C@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000562984356 306314771 /nfs/dbraw/zinc/31/47/71/306314771.db2.gz JNTSHGCGAHURRO-UYAOXDASSA-N 2 1 331.504 1.596 20 0 EDADMP C[NH+](C[C@H](O)CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000562984356 306314772 /nfs/dbraw/zinc/31/47/72/306314772.db2.gz JNTSHGCGAHURRO-UYAOXDASSA-N 2 1 331.504 1.596 20 0 EDADMP C[NH+](C[C@H](O)CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000562984356 306314773 /nfs/dbraw/zinc/31/47/73/306314773.db2.gz JNTSHGCGAHURRO-UYAOXDASSA-N 2 1 331.504 1.596 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000563117338 306319045 /nfs/dbraw/zinc/31/90/45/306319045.db2.gz YYNYFVXGQABIGR-QRVBRYPASA-N 2 1 345.487 1.911 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000563117338 306319046 /nfs/dbraw/zinc/31/90/46/306319046.db2.gz YYNYFVXGQABIGR-QRVBRYPASA-N 2 1 345.487 1.911 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385723000 540189177 /nfs/dbraw/zinc/18/91/77/540189177.db2.gz NJHRGNZVNNWLTM-IEBWSBKVSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385723000 540189181 /nfs/dbraw/zinc/18/91/81/540189181.db2.gz NJHRGNZVNNWLTM-IEBWSBKVSA-N 2 1 344.503 1.261 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000417942506 283124559 /nfs/dbraw/zinc/12/45/59/283124559.db2.gz OBUYEHAVOMVPMC-XWTMOSNGSA-N 2 1 328.460 1.683 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)N3CC[NH2+]CC3)CCCCC2)CCO1 ZINC000563578936 306339540 /nfs/dbraw/zinc/33/95/40/306339540.db2.gz VPMCIEVNZNGCDY-UHFFFAOYSA-N 2 1 338.496 1.415 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000563580475 306339641 /nfs/dbraw/zinc/33/96/41/306339641.db2.gz IXNNISIBRMANSK-OIISXLGYSA-N 2 1 332.448 1.191 20 0 EDADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000090682775 138280752 /nfs/dbraw/zinc/28/07/52/138280752.db2.gz RDWAABMAIBFIAX-GVDBMIGSSA-N 2 1 338.496 1.223 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000090682775 138280753 /nfs/dbraw/zinc/28/07/53/138280753.db2.gz RDWAABMAIBFIAX-GVDBMIGSSA-N 2 1 338.496 1.223 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090682775 138280754 /nfs/dbraw/zinc/28/07/54/138280754.db2.gz RDWAABMAIBFIAX-GVDBMIGSSA-N 2 1 338.496 1.223 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090682775 138280755 /nfs/dbraw/zinc/28/07/55/138280755.db2.gz RDWAABMAIBFIAX-GVDBMIGSSA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000413831523 304079007 /nfs/dbraw/zinc/07/90/07/304079007.db2.gz HGOHJRXFCJXKJO-OAHLLOKOSA-N 2 1 336.505 1.712 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000413831523 304079009 /nfs/dbraw/zinc/07/90/09/304079009.db2.gz HGOHJRXFCJXKJO-OAHLLOKOSA-N 2 1 336.505 1.712 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000413836363 304079791 /nfs/dbraw/zinc/07/97/91/304079791.db2.gz LQHRKOXGSWTWMX-YVSFHVDLSA-N 2 1 338.496 1.364 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000413836363 304079792 /nfs/dbraw/zinc/07/97/92/304079792.db2.gz LQHRKOXGSWTWMX-YVSFHVDLSA-N 2 1 338.496 1.364 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000413836363 304079793 /nfs/dbraw/zinc/07/97/93/304079793.db2.gz LQHRKOXGSWTWMX-YVSFHVDLSA-N 2 1 338.496 1.364 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000413836363 304079794 /nfs/dbraw/zinc/07/97/94/304079794.db2.gz LQHRKOXGSWTWMX-YVSFHVDLSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000565163201 306376955 /nfs/dbraw/zinc/37/69/55/306376955.db2.gz JQWCKBJBIZCOGF-RTBURBONSA-N 2 1 341.540 1.369 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)CC1 ZINC000414493501 304120147 /nfs/dbraw/zinc/12/01/47/304120147.db2.gz BYPSORCBNUPHCV-GOSISDBHSA-N 2 1 344.503 1.739 20 0 EDADMP CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414707638 304130711 /nfs/dbraw/zinc/13/07/11/304130711.db2.gz MXPDSPOOILNFMW-ARFHVFGLSA-N 2 1 325.497 1.709 20 0 EDADMP COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000566425020 306412388 /nfs/dbraw/zinc/41/23/88/306412388.db2.gz QMSOPMHKGZBREB-SJORKVTESA-N 2 1 335.448 1.643 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414738990 304135378 /nfs/dbraw/zinc/13/53/78/304135378.db2.gz IODXXPPCEBVVJB-ZIAGYGMSSA-N 2 1 332.448 1.320 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000353052054 296109537 /nfs/dbraw/zinc/10/95/37/296109537.db2.gz ZADYTSMAGXOXSN-ZWKOTPCHSA-N 2 1 335.492 1.620 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000414749797 304137270 /nfs/dbraw/zinc/13/72/70/304137270.db2.gz WPGIGYYZMZLZDL-CABCVRRESA-N 2 1 346.475 1.581 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCOC)Cc2ccccc2)CC1 ZINC000020947251 212192010 /nfs/dbraw/zinc/19/20/10/212192010.db2.gz UTXZUWDVZSIPJU-UHFFFAOYSA-N 2 1 333.476 1.736 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](CCOC)Cc2ccccc2)CC1 ZINC000020947251 212192007 /nfs/dbraw/zinc/19/20/07/212192007.db2.gz UTXZUWDVZSIPJU-UHFFFAOYSA-N 2 1 333.476 1.736 20 0 EDADMP COC(=O)COc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414787217 304140934 /nfs/dbraw/zinc/14/09/34/304140934.db2.gz VLCWYIQNWBWHDP-INIZCTEOSA-N 2 1 348.443 1.426 20 0 EDADMP CCOc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414802449 304142740 /nfs/dbraw/zinc/14/27/40/304142740.db2.gz MWKYRFNURSMCKF-BBRMVZONSA-N 2 1 349.475 1.768 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414990945 304148824 /nfs/dbraw/zinc/14/88/24/304148824.db2.gz PPMJRQZRDZTVCM-MRXNPFEDSA-N 2 1 346.475 1.568 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000193503415 138971155 /nfs/dbraw/zinc/97/11/55/138971155.db2.gz CBJHUZFMGSSDFD-CRAIPNDOSA-N 2 1 330.476 1.304 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000415069597 304156905 /nfs/dbraw/zinc/15/69/05/304156905.db2.gz PEQCMFHUHRXEIZ-BBRMVZONSA-N 2 1 333.432 1.922 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)C1 ZINC000415104260 304160390 /nfs/dbraw/zinc/16/03/90/304160390.db2.gz KOJKKMYUGITERM-WMLDXEAASA-N 2 1 341.459 1.897 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000415146369 304164976 /nfs/dbraw/zinc/16/49/76/304164976.db2.gz YMCOCGNDVIEUOP-GOEBONIOSA-N 2 1 344.459 1.430 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)[C@@H]([NH3+])CCSC)[NH+](C)C ZINC000237200492 139043908 /nfs/dbraw/zinc/04/39/08/139043908.db2.gz AENBOMIDPUDXPC-UONOGXRCSA-N 2 1 325.478 1.495 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000415189586 304173037 /nfs/dbraw/zinc/17/30/37/304173037.db2.gz WNXKJXHAZSNGNN-KBPBESRZSA-N 2 1 332.448 1.286 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000415189586 304173039 /nfs/dbraw/zinc/17/30/39/304173039.db2.gz WNXKJXHAZSNGNN-KBPBESRZSA-N 2 1 332.448 1.286 20 0 EDADMP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000242830679 139070303 /nfs/dbraw/zinc/07/03/03/139070303.db2.gz FQEUCJAKOXDHIS-UHFFFAOYSA-N 2 1 330.476 1.281 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000415253046 304179401 /nfs/dbraw/zinc/17/94/01/304179401.db2.gz GOIVCZHBSYLWNE-KGLIPLIRSA-N 2 1 332.448 1.588 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000415262452 304180678 /nfs/dbraw/zinc/18/06/78/304180678.db2.gz BELAQGQBJDXHKG-HNNXBMFYSA-N 2 1 346.475 1.583 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000245877030 139088310 /nfs/dbraw/zinc/08/83/10/139088310.db2.gz MPPXZFOOAAZOER-IRXDYDNUSA-N 2 1 340.512 1.205 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCC[C@H]1CCC[NH2+]C1 ZINC000246578699 139113627 /nfs/dbraw/zinc/11/36/27/139113627.db2.gz CKJKWOZTDMZWJJ-MJGOQNOKSA-N 2 1 345.487 1.783 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[C@H]1CCC[NH2+]C1 ZINC000246578699 139113628 /nfs/dbraw/zinc/11/36/28/139113628.db2.gz CKJKWOZTDMZWJJ-MJGOQNOKSA-N 2 1 345.487 1.783 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000246996198 139130201 /nfs/dbraw/zinc/13/02/01/139130201.db2.gz KKKCIHZZCDUDEW-XJKSGUPXSA-N 2 1 325.478 1.196 20 0 EDADMP CCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000247283153 139143626 /nfs/dbraw/zinc/14/36/26/139143626.db2.gz ZILSLESHYJDKPB-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CCCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000247283153 139143627 /nfs/dbraw/zinc/14/36/27/139143627.db2.gz ZILSLESHYJDKPB-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415382077 304209589 /nfs/dbraw/zinc/20/95/89/304209589.db2.gz VUKCGAZQNKEPCE-JTQLQIEISA-N 2 1 326.828 1.194 20 0 EDADMP COCc1ccccc1CNC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248063611 139157901 /nfs/dbraw/zinc/15/79/01/139157901.db2.gz MAZVVJHLGWCTOI-PKOBYXMFSA-N 2 1 345.487 1.865 20 0 EDADMP CC[C@H](COC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248156006 139159008 /nfs/dbraw/zinc/15/90/08/139159008.db2.gz RKHVRLSECXAKPF-QZTJIDSGSA-N 2 1 333.476 1.899 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000248901940 139179891 /nfs/dbraw/zinc/17/98/91/139179891.db2.gz ZFKYSAOUJPAIAI-RYQLBKOJSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000248901940 139179892 /nfs/dbraw/zinc/17/98/92/139179892.db2.gz ZFKYSAOUJPAIAI-RYQLBKOJSA-N 2 1 331.460 1.534 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC[N@H+]2CCCC[C@H]2CC)C1(C)C ZINC000249060904 139184381 /nfs/dbraw/zinc/18/43/81/139184381.db2.gz GRAKBOJCDHXIBK-RKVPGOIHSA-N 2 1 325.497 1.900 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000249173733 139188304 /nfs/dbraw/zinc/18/83/04/139188304.db2.gz LSDZQWMURDOHBC-CXAGYDPISA-N 2 1 344.459 1.369 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000249173733 139188305 /nfs/dbraw/zinc/18/83/05/139188305.db2.gz LSDZQWMURDOHBC-CXAGYDPISA-N 2 1 344.459 1.369 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000249173733 139188306 /nfs/dbraw/zinc/18/83/06/139188306.db2.gz LSDZQWMURDOHBC-CXAGYDPISA-N 2 1 344.459 1.369 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000249173733 139188307 /nfs/dbraw/zinc/18/83/07/139188307.db2.gz LSDZQWMURDOHBC-CXAGYDPISA-N 2 1 344.459 1.369 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415415639 304218074 /nfs/dbraw/zinc/21/80/74/304218074.db2.gz MCUCKIHKNDHZQS-CQSZACIVSA-N 2 1 346.475 1.234 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1Cl ZINC000261620062 139211764 /nfs/dbraw/zinc/21/17/64/139211764.db2.gz CDZGBJZBJPKAMH-UGFHNGPFSA-N 2 1 325.840 1.565 20 0 EDADMP [NH3+]CCN(CCc1ccccc1)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000261647294 139214212 /nfs/dbraw/zinc/21/42/12/139214212.db2.gz CSJQKBGWFLXMPI-OAHLLOKOSA-N 2 1 327.432 1.130 20 0 EDADMP Cc1ccc(O)c(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000261674545 139216342 /nfs/dbraw/zinc/21/63/42/139216342.db2.gz MCOMGOCVZMJFAN-CABCVRRESA-N 2 1 332.448 1.176 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000261710101 139219483 /nfs/dbraw/zinc/21/94/83/139219483.db2.gz GCOKTAKXZUPCPH-YQVWRLOYSA-N 2 1 344.503 1.688 20 0 EDADMP c1ncn(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)cc2)n1 ZINC000261923489 139237437 /nfs/dbraw/zinc/23/74/37/139237437.db2.gz KRXBKXUGQVOPEP-OTWHNJEPSA-N 2 1 341.459 1.573 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000261987877 139242099 /nfs/dbraw/zinc/24/20/99/139242099.db2.gz KRYXKKSHEZPWPU-GOSISDBHSA-N 2 1 331.460 1.408 20 0 EDADMP c1cnc(Oc2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2)cn1 ZINC000262129472 139253380 /nfs/dbraw/zinc/25/33/80/139253380.db2.gz NSJUDLKFHFASIN-KRWDZBQOSA-N 2 1 339.443 1.748 20 0 EDADMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1OCc1ccccc1 ZINC000262197991 139259149 /nfs/dbraw/zinc/25/91/49/139259149.db2.gz ZPTMYICZEWUJGG-ZWKOTPCHSA-N 2 1 342.439 1.944 20 0 EDADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262213974 139260447 /nfs/dbraw/zinc/26/04/47/139260447.db2.gz IYRHQKLXEQLPRM-MDZRGWNJSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262213974 139260448 /nfs/dbraw/zinc/26/04/48/139260448.db2.gz IYRHQKLXEQLPRM-MDZRGWNJSA-N 2 1 345.487 1.912 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC[N@H+]1CCOC ZINC000415992174 251044192 /nfs/dbraw/zinc/04/41/92/251044192.db2.gz AVHUEKSSIXKFIZ-NWDGAFQWSA-N 2 1 340.390 1.018 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC[N@H+]1CCOC ZINC000415992173 251044211 /nfs/dbraw/zinc/04/42/11/251044211.db2.gz AVHUEKSSIXKFIZ-NEPJUHHUSA-N 2 1 340.390 1.018 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000416830422 251113087 /nfs/dbraw/zinc/11/30/87/251113087.db2.gz GYRFGNYRZJZZLL-DOTOQJQBSA-N 2 1 348.491 1.939 20 0 EDADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCC(F)(F)C[NH3+])cc1 ZINC000416882690 251117653 /nfs/dbraw/zinc/11/76/53/251117653.db2.gz ILSGQWPLKAPCIJ-UHFFFAOYSA-N 2 1 328.407 1.922 20 0 EDADMP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000417087392 251141684 /nfs/dbraw/zinc/14/16/84/251141684.db2.gz ZYNVJAWNGPNNJC-QZTJIDSGSA-N 2 1 330.476 1.826 20 0 EDADMP C[C@@H](CNC(=O)N1CCNC[C@](C)(F)C1)[N@@H+](C)Cc1ccccc1 ZINC000417576314 251194404 /nfs/dbraw/zinc/19/44/04/251194404.db2.gz HERRNGWEQUJAJT-YJBOKZPZSA-N 2 1 336.455 1.850 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+]C[C@](C)(F)C1)[N@@H+](C)Cc1ccccc1 ZINC000417576314 251194410 /nfs/dbraw/zinc/19/44/10/251194410.db2.gz HERRNGWEQUJAJT-YJBOKZPZSA-N 2 1 336.455 1.850 20 0 EDADMP C[C@@H]1CNCCN1C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000417661110 251217972 /nfs/dbraw/zinc/21/79/72/251217972.db2.gz OQDKSQDHNRZSRW-BXUZGUMPSA-N 2 1 326.391 1.571 20 0 EDADMP COCC1(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC[NH2+]CC1 ZINC000262428849 139278458 /nfs/dbraw/zinc/27/84/58/139278458.db2.gz WDHRBANXORIITM-UHFFFAOYSA-N 2 1 348.447 1.141 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000417670639 251222847 /nfs/dbraw/zinc/22/28/47/251222847.db2.gz OPHZTEBXJORKKH-JYJNAYRXSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000262444524 139279361 /nfs/dbraw/zinc/27/93/61/139279361.db2.gz VGDSSHPCTBWCCB-WBQJQJEBSA-N 2 1 345.487 1.638 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NC[C@@H]([NH3+])C3CC3)CC2)nc(C)[nH+]1 ZINC000417835896 251289950 /nfs/dbraw/zinc/28/99/50/251289950.db2.gz OMEYINKGZCVZJD-OAHLLOKOSA-N 2 1 332.452 1.099 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000417847034 251295160 /nfs/dbraw/zinc/29/51/60/251295160.db2.gz UNVVJCFOBJBJTC-NXHRZFHOSA-N 2 1 346.475 1.409 20 0 EDADMP C[C@@H](C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000262464734 139280824 /nfs/dbraw/zinc/28/08/24/139280824.db2.gz XPMKHMHERBGXSC-QGZVFWFLSA-N 2 1 344.503 1.118 20 0 EDADMP CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417883060 251312771 /nfs/dbraw/zinc/31/27/71/251312771.db2.gz FDUGGEMPUKBFDT-IAGOWNOFSA-N 2 1 348.491 1.703 20 0 EDADMP CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417883060 251312776 /nfs/dbraw/zinc/31/27/76/251312776.db2.gz FDUGGEMPUKBFDT-IAGOWNOFSA-N 2 1 348.491 1.703 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000418434590 251369866 /nfs/dbraw/zinc/36/98/66/251369866.db2.gz FHELPYMGGDNELY-SJORKVTESA-N 2 1 339.528 1.171 20 0 EDADMP C[C@H](C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000262531768 139284628 /nfs/dbraw/zinc/28/46/28/139284628.db2.gz MCPRMPQPZCQIGJ-XHSDSOJGSA-N 2 1 345.487 1.768 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000418721792 251396473 /nfs/dbraw/zinc/39/64/73/251396473.db2.gz HJEWQRGOOCWSIA-DOTOQJQBSA-N 2 1 334.439 1.476 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H](C)CCCC[NH3+])CC[N@H+]1CCOC ZINC000418678130 251384239 /nfs/dbraw/zinc/38/42/39/251384239.db2.gz VEIDWFCUINHBOP-CVEARBPZSA-N 2 1 328.501 1.646 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@H]1C ZINC000418685684 251386093 /nfs/dbraw/zinc/38/60/93/251386093.db2.gz NHUXUTVUWUOXRQ-MXSMSXNCSA-N 2 1 330.476 1.866 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418701804 251388341 /nfs/dbraw/zinc/38/83/41/251388341.db2.gz DEKZZNNSPUHOOO-KSZLIROESA-N 2 1 330.476 1.887 20 0 EDADMP [NH3+][C@@H]1CC[C@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000262651598 139293098 /nfs/dbraw/zinc/29/30/98/139293098.db2.gz RELKWSREVDZEIW-RBUKOAKNSA-N 2 1 344.503 1.438 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCCCCC[NH3+])c1 ZINC000262661310 139294215 /nfs/dbraw/zinc/29/42/15/139294215.db2.gz NTPKFBSPHDCILZ-QGZVFWFLSA-N 2 1 346.475 1.984 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCCCCC[NH3+])c1 ZINC000262661310 139294216 /nfs/dbraw/zinc/29/42/16/139294216.db2.gz NTPKFBSPHDCILZ-QGZVFWFLSA-N 2 1 346.475 1.984 20 0 EDADMP C[C@H]([NH2+]CC(=O)Nc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000423043302 252027699 /nfs/dbraw/zinc/02/76/99/252027699.db2.gz OFPNAQKISGUNHX-WDEREUQCSA-N 2 1 326.238 1.975 20 0 EDADMP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423058365 252028601 /nfs/dbraw/zinc/02/86/01/252028601.db2.gz BYCINJFQNFJOGZ-CADBVGFASA-N 2 1 334.460 1.890 20 0 EDADMP COc1ccc([C@H](NC[C@H]2CCCC[N@H+]2CCO)[C@@H]2CCC[NH2+]2)cc1 ZINC000423148822 252037406 /nfs/dbraw/zinc/03/74/06/252037406.db2.gz WOXMXSNBXXHEOV-HOJAQTOUSA-N 2 1 347.503 1.925 20 0 EDADMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423840995 252089011 /nfs/dbraw/zinc/08/90/11/252089011.db2.gz FNQJYMRHCKUNDW-QZTJIDSGSA-N 2 1 343.471 1.224 20 0 EDADMP C[N@H+](CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)Cc1ccccc1 ZINC000423995165 252111249 /nfs/dbraw/zinc/11/12/49/252111249.db2.gz DHJKQWUQNSTDRO-UYAOXDASSA-N 2 1 345.487 1.863 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)Cc1ccccc1 ZINC000423995165 252111252 /nfs/dbraw/zinc/11/12/52/252111252.db2.gz DHJKQWUQNSTDRO-UYAOXDASSA-N 2 1 345.487 1.863 20 0 EDADMP C[N@H+](CC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)Cc1ccccc1 ZINC000424004565 252112517 /nfs/dbraw/zinc/11/25/17/252112517.db2.gz BLYKSWRJOSFBKM-MOPGFXCFSA-N 2 1 345.487 1.863 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)Cc1ccccc1 ZINC000424004565 252112521 /nfs/dbraw/zinc/11/25/21/252112521.db2.gz BLYKSWRJOSFBKM-MOPGFXCFSA-N 2 1 345.487 1.863 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000423798094 252078902 /nfs/dbraw/zinc/07/89/02/252078902.db2.gz OASFSJBOGGHLRI-BBWFWOEESA-N 2 1 337.508 1.724 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424139988 252140162 /nfs/dbraw/zinc/14/01/62/252140162.db2.gz VXTOTNDTCXMLNJ-GXTWGEPZSA-N 2 1 330.436 1.448 20 0 EDADMP C[N@@H+](CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C1CCCCC1 ZINC000424135235 252137870 /nfs/dbraw/zinc/13/78/70/252137870.db2.gz OMIVOOMWOFOMEK-OAHLLOKOSA-N 2 1 334.468 1.197 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(Cl)c1OCC(N)=O ZINC000424369937 252201637 /nfs/dbraw/zinc/20/16/37/252201637.db2.gz SAMRTTMCVXCZEN-CHWSQXEVSA-N 2 1 341.839 1.572 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246578846 285023071 /nfs/dbraw/zinc/02/30/71/285023071.db2.gz CDCWZCNULFOUIB-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246578846 285023073 /nfs/dbraw/zinc/02/30/73/285023073.db2.gz CDCWZCNULFOUIB-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246578846 285023075 /nfs/dbraw/zinc/02/30/75/285023075.db2.gz CDCWZCNULFOUIB-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP CCN(C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1)CC(F)(F)F ZINC000351515903 285033683 /nfs/dbraw/zinc/03/36/83/285033683.db2.gz DLGMPMFOYOXXCJ-ZFWWWQNUSA-N 2 1 337.430 1.648 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1)CC(F)(F)F ZINC000351515903 285033685 /nfs/dbraw/zinc/03/36/85/285033685.db2.gz DLGMPMFOYOXXCJ-ZFWWWQNUSA-N 2 1 337.430 1.648 20 0 EDADMP CCN(C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1)CC(F)(F)F ZINC000351515903 285033686 /nfs/dbraw/zinc/03/36/86/285033686.db2.gz DLGMPMFOYOXXCJ-ZFWWWQNUSA-N 2 1 337.430 1.648 20 0 EDADMP CCN(C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1)CC(F)(F)F ZINC000351515903 285033688 /nfs/dbraw/zinc/03/36/88/285033688.db2.gz DLGMPMFOYOXXCJ-ZFWWWQNUSA-N 2 1 337.430 1.648 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000263328098 139336142 /nfs/dbraw/zinc/33/61/42/139336142.db2.gz LEBJAQHYWOBIDD-QGZVFWFLSA-N 2 1 346.475 1.183 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cn2cc[nH+]c12 ZINC000415724484 304261824 /nfs/dbraw/zinc/26/18/24/304261824.db2.gz LDFRBPJKDGSAEZ-HDJSIYSDSA-N 2 1 343.431 1.463 20 0 EDADMP C[NH+](C)CCOCCNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000471647034 255015425 /nfs/dbraw/zinc/01/54/25/255015425.db2.gz YXJXAVVJHFQWTH-UHFFFAOYSA-N 2 1 348.491 1.312 20 0 EDADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000471834886 255015800 /nfs/dbraw/zinc/01/58/00/255015800.db2.gz PLCFMPDWFWYMFN-RTBURBONSA-N 2 1 345.487 1.517 20 0 EDADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC(=O)N1CCOCC1 ZINC000471834886 255015802 /nfs/dbraw/zinc/01/58/02/255015802.db2.gz PLCFMPDWFWYMFN-RTBURBONSA-N 2 1 345.487 1.517 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC12CCOCC2 ZINC000365783102 285247131 /nfs/dbraw/zinc/24/71/31/285247131.db2.gz CGEDGXNSRBUDFY-SJORKVTESA-N 2 1 337.508 1.678 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H](C)C2CCN(C(=O)OC)CC2)CC1 ZINC000492551465 255178943 /nfs/dbraw/zinc/17/89/43/255178943.db2.gz KWHHRWVTZNUNCK-AWEZNQCLSA-N 2 1 327.469 1.554 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[NH+]1CCOCC1 ZINC000494288250 255244272 /nfs/dbraw/zinc/24/42/72/255244272.db2.gz QMMOAZKKWKXRFE-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[NH+]1CCOCC1 ZINC000494288250 255244273 /nfs/dbraw/zinc/24/42/73/255244273.db2.gz QMMOAZKKWKXRFE-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000338065799 285263618 /nfs/dbraw/zinc/26/36/18/285263618.db2.gz ADHBQHCXNNZPJW-TVFCKZIOSA-N 2 1 339.524 1.968 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000338065799 285263620 /nfs/dbraw/zinc/26/36/20/285263620.db2.gz ADHBQHCXNNZPJW-TVFCKZIOSA-N 2 1 339.524 1.968 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000264256830 139390836 /nfs/dbraw/zinc/39/08/36/139390836.db2.gz DATNGZBDJRAFFH-CQSZACIVSA-N 2 1 325.457 1.047 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000246032356 285368169 /nfs/dbraw/zinc/36/81/69/285368169.db2.gz NTOXHNAIQNIBHN-LSDHHAIUSA-N 2 1 336.484 1.639 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000415888576 304284448 /nfs/dbraw/zinc/28/44/48/304284448.db2.gz ADAJRWQUNITMST-KRWDZBQOSA-N 2 1 332.448 1.301 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000415934963 304286406 /nfs/dbraw/zinc/28/64/06/304286406.db2.gz SYEZOLXZWJPUAP-INIZCTEOSA-N 2 1 334.464 1.764 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000269534237 139949789 /nfs/dbraw/zinc/94/97/89/139949789.db2.gz XYFHDODIZJYFTN-IAGOWNOFSA-N 2 1 346.475 1.135 20 0 EDADMP C[NH+](C)CCOc1ccc(CNC(=O)NCC2=CC[N@@H+](C)CC2)cc1 ZINC000272093381 140399676 /nfs/dbraw/zinc/39/96/76/140399676.db2.gz NQWAPUMFFYWDBC-UHFFFAOYSA-N 2 1 346.475 1.688 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)[C@@H](C)C1 ZINC000331475119 141035665 /nfs/dbraw/zinc/03/56/65/141035665.db2.gz CZGXOGVMABWMGU-JYJNAYRXSA-N 2 1 333.480 1.069 20 0 EDADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1C ZINC000331657183 141063191 /nfs/dbraw/zinc/06/31/91/141063191.db2.gz MHOBKUCJSUSTEP-NVXWUHKLSA-N 2 1 335.448 1.279 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000332096840 141122359 /nfs/dbraw/zinc/12/23/59/141122359.db2.gz AVBSJCBFASHSAC-HUUCEWRRSA-N 2 1 346.479 1.064 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000332414094 141177966 /nfs/dbraw/zinc/17/79/66/141177966.db2.gz KQXCQVCITPGOFA-OAHLLOKOSA-N 2 1 346.479 1.066 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000332414094 141177967 /nfs/dbraw/zinc/17/79/67/141177967.db2.gz KQXCQVCITPGOFA-OAHLLOKOSA-N 2 1 346.479 1.066 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000332563682 141203924 /nfs/dbraw/zinc/20/39/24/141203924.db2.gz WJCGCQYSILLIEI-JKSUJKDBSA-N 2 1 331.464 1.739 20 0 EDADMP Cn1ccnc1[C@@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000332874471 141242202 /nfs/dbraw/zinc/24/22/02/141242202.db2.gz JIZGRCXLVGGSQB-HOTGVXAUSA-N 2 1 347.463 1.377 20 0 EDADMP Cn1ccnc1[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000332999152 141248601 /nfs/dbraw/zinc/24/86/01/141248601.db2.gz ANXZEXIHOAURGL-ZBFHGGJFSA-N 2 1 331.464 1.936 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCCO1 ZINC000333639123 141349055 /nfs/dbraw/zinc/34/90/55/141349055.db2.gz UFZYVNNABMHGLU-DLBZAZTESA-N 2 1 338.496 1.543 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000333646255 141349821 /nfs/dbraw/zinc/34/98/21/141349821.db2.gz VCIHLORPEZKAGH-MLGOLLRUSA-N 2 1 346.479 1.359 20 0 EDADMP COC[C@H]1CCN1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000339281650 142003317 /nfs/dbraw/zinc/00/33/17/142003317.db2.gz HXODBWKZACOSPT-FUHWJXTLSA-N 2 1 331.460 1.613 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339409466 142040596 /nfs/dbraw/zinc/04/05/96/142040596.db2.gz ZAIVFYPNDRHDDY-QGZVFWFLSA-N 2 1 331.460 1.341 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339425666 142044660 /nfs/dbraw/zinc/04/46/60/142044660.db2.gz GNUMHZYOUYFGDE-HXUWFJFHSA-N 2 1 340.471 1.963 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339425666 142044662 /nfs/dbraw/zinc/04/46/62/142044662.db2.gz GNUMHZYOUYFGDE-HXUWFJFHSA-N 2 1 340.471 1.963 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339425666 142044664 /nfs/dbraw/zinc/04/46/64/142044664.db2.gz GNUMHZYOUYFGDE-HXUWFJFHSA-N 2 1 340.471 1.963 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000340213173 142305596 /nfs/dbraw/zinc/30/55/96/142305596.db2.gz UGQDWSFDSDOFLK-OAHLLOKOSA-N 2 1 349.479 1.079 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000345733755 143126941 /nfs/dbraw/zinc/12/69/41/143126941.db2.gz CEDFUDYEVUJGDL-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000345733755 143126942 /nfs/dbraw/zinc/12/69/42/143126942.db2.gz CEDFUDYEVUJGDL-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000345733751 143126946 /nfs/dbraw/zinc/12/69/46/143126946.db2.gz CEDFUDYEVUJGDL-HOTGVXAUSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000345733751 143126947 /nfs/dbraw/zinc/12/69/47/143126947.db2.gz CEDFUDYEVUJGDL-HOTGVXAUSA-N 2 1 326.485 1.221 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](CCCOC)CC2)C[C@@H]1C ZINC000345787355 143133462 /nfs/dbraw/zinc/13/34/62/143133462.db2.gz SCASEYNFKUWDOT-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000346947941 143265235 /nfs/dbraw/zinc/26/52/35/143265235.db2.gz FAHMTQJPZBEYMI-AEFFLSMTSA-N 2 1 337.508 1.676 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NCCC2CC[NH+](C)CC2)[N@@H+](C)C1 ZINC000347044896 143275938 /nfs/dbraw/zinc/27/59/38/143275938.db2.gz AEEHRKUHFRNQGJ-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H]1C[N@@H+](C2CCN(Cc3ncc(C[NH+](C)C)s3)CC2)CCO1 ZINC000347635549 143343878 /nfs/dbraw/zinc/34/38/78/143343878.db2.gz HERGMVIQGGEWQX-CQSZACIVSA-N 2 1 338.521 1.890 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(Cc3ncc(C[NH+](C)C)s3)CC2)CCO1 ZINC000347635549 143343879 /nfs/dbraw/zinc/34/38/79/143343879.db2.gz HERGMVIQGGEWQX-CQSZACIVSA-N 2 1 338.521 1.890 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000347890736 143375716 /nfs/dbraw/zinc/37/57/16/143375716.db2.gz AVMYCQXIVGQXGG-QAPCUYQASA-N 2 1 335.496 1.602 20 0 EDADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000347890736 143375717 /nfs/dbraw/zinc/37/57/17/143375717.db2.gz AVMYCQXIVGQXGG-QAPCUYQASA-N 2 1 335.496 1.602 20 0 EDADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000347890736 143375718 /nfs/dbraw/zinc/37/57/18/143375718.db2.gz AVMYCQXIVGQXGG-QAPCUYQASA-N 2 1 335.496 1.602 20 0 EDADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000347964057 143384538 /nfs/dbraw/zinc/38/45/38/143384538.db2.gz FKSVMZFUISLVIT-HZPDHXFCSA-N 2 1 340.512 1.166 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NC2CC([NH+]3CCCCC3)C2)[N@@H+](C)C1 ZINC000348434592 143432271 /nfs/dbraw/zinc/43/22/71/143432271.db2.gz JZQGWDAFKYYQGL-BACDZXNISA-N 2 1 338.496 1.364 20 0 EDADMP Cc1cc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)cc(N2CCCC2)[nH+]1 ZINC000573095410 306611701 /nfs/dbraw/zinc/61/17/01/306611701.db2.gz WSYODFAUBFEPQA-OAHLLOKOSA-N 2 1 331.464 1.789 20 0 EDADMP CSC(C)(C)CNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369789519 155176835 /nfs/dbraw/zinc/17/68/35/155176835.db2.gz IIFNLKVIEDYUKV-ZDUSSCGKSA-N 2 1 328.526 1.596 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000416840998 304350621 /nfs/dbraw/zinc/35/06/21/304350621.db2.gz LOLBYCZTWQPODI-BMFZPTHFSA-N 2 1 334.464 1.595 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000358040677 286062680 /nfs/dbraw/zinc/06/26/80/286062680.db2.gz SFEOSKWIGYANDF-HOTGVXAUSA-N 2 1 349.541 1.041 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000358040677 286062682 /nfs/dbraw/zinc/06/26/82/286062682.db2.gz SFEOSKWIGYANDF-HOTGVXAUSA-N 2 1 349.541 1.041 20 0 EDADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000369880610 155217136 /nfs/dbraw/zinc/21/71/36/155217136.db2.gz BRRDSVFJIHVPLO-ZFWWWQNUSA-N 2 1 348.472 1.799 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCc3sccc3C2)CC[N@@H+]1C ZINC000341065047 149060688 /nfs/dbraw/zinc/06/06/88/149060688.db2.gz ZQTYBMJLQDRHAH-ZFWWWQNUSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCc3sccc3C2)CC[N@H+]1C ZINC000341065047 149060690 /nfs/dbraw/zinc/06/06/90/149060690.db2.gz ZQTYBMJLQDRHAH-ZFWWWQNUSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000341065047 149060692 /nfs/dbraw/zinc/06/06/92/149060692.db2.gz ZQTYBMJLQDRHAH-ZFWWWQNUSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000341065047 149060694 /nfs/dbraw/zinc/06/06/94/149060694.db2.gz ZQTYBMJLQDRHAH-ZFWWWQNUSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC[NH+]1CCSCC1 ZINC000352693824 149119571 /nfs/dbraw/zinc/11/95/71/149119571.db2.gz UFWSFBZQSVJAPM-HUUCEWRRSA-N 2 1 328.526 1.597 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000355088555 150110418 /nfs/dbraw/zinc/11/04/18/150110418.db2.gz OOSFPBUOHQCKHE-GUDVDZBRSA-N 2 1 345.487 1.764 20 0 EDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417030994 304362964 /nfs/dbraw/zinc/36/29/64/304362964.db2.gz PXPYWTDNWOEZLA-QAPCUYQASA-N 2 1 330.476 1.861 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[C@H](N(C)Cc3ncccn3)C2)CCC[N@H+]1C ZINC000357927503 151199403 /nfs/dbraw/zinc/19/94/03/151199403.db2.gz IZLVWHMURRLLAW-OWCLPIDISA-N 2 1 346.479 1.175 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C3CC3)CCO2)[C@H](C)C1 ZINC000358153368 151289832 /nfs/dbraw/zinc/28/98/32/151289832.db2.gz IIDAQUANBRFQPQ-QRQLOZEOSA-N 2 1 339.524 1.576 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)[C@H](C)C1 ZINC000358187430 151298924 /nfs/dbraw/zinc/29/89/24/151298924.db2.gz JOCSHFPQWLCFKG-OBVSXPTNSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358491437 151393018 /nfs/dbraw/zinc/39/30/18/151393018.db2.gz FFBPTNQUHVPBOK-OAGGEKHMSA-N 2 1 340.512 1.467 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccco1 ZINC000360369220 152009404 /nfs/dbraw/zinc/00/94/04/152009404.db2.gz KMYRUKJZIHEERW-BBRMVZONSA-N 2 1 340.493 1.619 20 0 EDADMP CO[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000361362914 152372835 /nfs/dbraw/zinc/37/28/35/152372835.db2.gz WLSQSWHBXYOXDJ-VQIMIIECSA-N 2 1 345.487 1.876 20 0 EDADMP [NH3+][C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000417191652 304382957 /nfs/dbraw/zinc/38/29/57/304382957.db2.gz YDLWOUFMXZREAH-KRWDZBQOSA-N 2 1 332.448 1.152 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000364218599 153177948 /nfs/dbraw/zinc/17/79/48/153177948.db2.gz HRKNDBIIOJJSGF-SFHVURJKSA-N 2 1 331.460 1.270 20 0 EDADMP C[C@H]1CN(C[C@H]2CN(C)CCO2)CC[N@H+]1CCCC1CCOCC1 ZINC000364244658 153184522 /nfs/dbraw/zinc/18/45/22/153184522.db2.gz ZELDLYLYVYVOCE-PKOBYXMFSA-N 2 1 339.524 1.530 20 0 EDADMP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCCC1CCOCC1 ZINC000364244658 153184524 /nfs/dbraw/zinc/18/45/24/153184524.db2.gz ZELDLYLYVYVOCE-PKOBYXMFSA-N 2 1 339.524 1.530 20 0 EDADMP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCC1CCOCC1 ZINC000364244658 153184526 /nfs/dbraw/zinc/18/45/26/153184526.db2.gz ZELDLYLYVYVOCE-PKOBYXMFSA-N 2 1 339.524 1.530 20 0 EDADMP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCCC1CCOCC1 ZINC000364244658 153184533 /nfs/dbraw/zinc/18/45/33/153184533.db2.gz ZELDLYLYVYVOCE-PKOBYXMFSA-N 2 1 339.524 1.530 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]C1CC(OC(C)C)C1 ZINC000364459941 153243470 /nfs/dbraw/zinc/24/34/70/153243470.db2.gz DQKUADAPGVFOKB-UHFFFAOYSA-N 2 1 349.523 1.916 20 0 EDADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000364731760 153317492 /nfs/dbraw/zinc/31/74/92/153317492.db2.gz CFOUMIBZFFZWPY-LBPRGKRZSA-N 2 1 328.420 1.119 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000417242436 304387474 /nfs/dbraw/zinc/38/74/74/304387474.db2.gz UKPJHYNUGGCZFS-OLZOCXBDSA-N 2 1 332.439 1.793 20 0 EDADMP [NH3+]CC[C@H](NC(=O)NCC[N@@H+]1CCc2sccc2C1)C(F)F ZINC000417278074 304388791 /nfs/dbraw/zinc/38/87/91/304388791.db2.gz YKRIYLWDPGGLQL-NSHDSACASA-N 2 1 332.420 1.388 20 0 EDADMP [NH3+]CC[C@H](NC(=O)NCC[N@H+]1CCc2sccc2C1)C(F)F ZINC000417278074 304388792 /nfs/dbraw/zinc/38/87/92/304388792.db2.gz YKRIYLWDPGGLQL-NSHDSACASA-N 2 1 332.420 1.388 20 0 EDADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CC(=O)NCc1cccnc1)CC2)C1CC1 ZINC000367206577 154041944 /nfs/dbraw/zinc/04/19/44/154041944.db2.gz BHYCTACULQQYHI-KRWDZBQOSA-N 2 1 342.487 1.894 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2n1CCCC2 ZINC000367379378 154096434 /nfs/dbraw/zinc/09/64/34/154096434.db2.gz IULPKKWZYBDUOX-LSDHHAIUSA-N 2 1 331.464 1.954 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2n1CCCC2 ZINC000367379378 154096437 /nfs/dbraw/zinc/09/64/37/154096437.db2.gz IULPKKWZYBDUOX-LSDHHAIUSA-N 2 1 331.464 1.954 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000417306452 304392081 /nfs/dbraw/zinc/39/20/81/304392081.db2.gz CXWMKMVSXUJIPX-HNNXBMFYSA-N 2 1 340.418 1.934 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000417306452 304392082 /nfs/dbraw/zinc/39/20/82/304392082.db2.gz CXWMKMVSXUJIPX-HNNXBMFYSA-N 2 1 340.418 1.934 20 0 EDADMP COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000369501687 155061795 /nfs/dbraw/zinc/06/17/95/155061795.db2.gz UDBKYKQALSATLK-IRXDYDNUSA-N 2 1 341.496 1.055 20 0 EDADMP CC(C)[NH+]1CCC([N@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000369508351 155065035 /nfs/dbraw/zinc/06/50/35/155065035.db2.gz ZGOWCEIRNFZBGH-UHFFFAOYSA-N 2 1 336.480 1.656 20 0 EDADMP CC(C)[NH+]1CCC([N@@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000369508351 155065036 /nfs/dbraw/zinc/06/50/36/155065036.db2.gz ZGOWCEIRNFZBGH-UHFFFAOYSA-N 2 1 336.480 1.656 20 0 EDADMP C[C@H](C(=O)N1CCC[N@H+](C2CCOCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000369535136 155076194 /nfs/dbraw/zinc/07/61/94/155076194.db2.gz NXBUQYJQURBUDS-BRWVUGGUSA-N 2 1 337.508 1.961 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372279508 156307980 /nfs/dbraw/zinc/30/79/80/156307980.db2.gz ZUAUFWHKEJYRJW-HNNXBMFYSA-N 2 1 344.463 1.886 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372279508 156307986 /nfs/dbraw/zinc/30/79/86/156307986.db2.gz ZUAUFWHKEJYRJW-HNNXBMFYSA-N 2 1 344.463 1.886 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372336184 156340002 /nfs/dbraw/zinc/34/00/02/156340002.db2.gz DTDZLBJGYCYLMA-IEZWGBDMSA-N 2 1 328.460 1.954 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1)C1CC1 ZINC000372381956 156362524 /nfs/dbraw/zinc/36/25/24/156362524.db2.gz AJMJIMTZZLMALC-ROUUACIJSA-N 2 1 346.475 1.015 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C1CC1 ZINC000372381956 156362529 /nfs/dbraw/zinc/36/25/29/156362529.db2.gz AJMJIMTZZLMALC-ROUUACIJSA-N 2 1 346.475 1.015 20 0 EDADMP COCCSCCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000373910490 157060372 /nfs/dbraw/zinc/06/03/72/157060372.db2.gz ZRAJDJNROOHPKM-KRWDZBQOSA-N 2 1 329.554 1.856 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)N2CCC[C@H]2Cn2ccnc2)CC1(C)C ZINC000374251428 157214114 /nfs/dbraw/zinc/21/41/14/157214114.db2.gz XQBBSYQYNCLDTC-INIZCTEOSA-N 2 1 348.495 1.083 20 0 EDADMP C[N@@H+](C[C@H]1CC12CC[NH+](CC(=O)NC[C@@H]1CCCO1)CC2)C1CC1 ZINC000374314080 157239356 /nfs/dbraw/zinc/23/93/56/157239356.db2.gz CBHWLKREZLWBJZ-WBVHZDCISA-N 2 1 335.492 1.478 20 0 EDADMP [NH3+][C@H](CC(=O)NCC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000374420132 157285278 /nfs/dbraw/zinc/28/52/78/157285278.db2.gz KAEGHIMBIKXEMU-QGZVFWFLSA-N 2 1 331.460 1.838 20 0 EDADMP Cn1cc([C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)CCC[N@H+]2C)cn1 ZINC000377952041 158037696 /nfs/dbraw/zinc/03/76/96/158037696.db2.gz UAQWIZRSUGZZGL-WBVHZDCISA-N 2 1 345.491 1.548 20 0 EDADMP CC1(C[NH+]2CCOCC2)CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000378268092 158125380 /nfs/dbraw/zinc/12/53/80/158125380.db2.gz CUYWNNCWTWKSFK-QGZVFWFLSA-N 2 1 331.460 1.647 20 0 EDADMP CCOC(=O)[C@](C)(O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352422839 162174921 /nfs/dbraw/zinc/17/49/21/162174921.db2.gz KXRPKZWRQMOTOD-WSTZPKSXSA-N 2 1 346.471 1.754 20 0 EDADMP CCOC(=O)[C@](C)(O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352422839 162174922 /nfs/dbraw/zinc/17/49/22/162174922.db2.gz KXRPKZWRQMOTOD-WSTZPKSXSA-N 2 1 346.471 1.754 20 0 EDADMP CCOC(=O)[C@](C)(O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352422839 162174923 /nfs/dbraw/zinc/17/49/23/162174923.db2.gz KXRPKZWRQMOTOD-WSTZPKSXSA-N 2 1 346.471 1.754 20 0 EDADMP C[NH+](C)CCc1ccc(CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1 ZINC000418052687 304451720 /nfs/dbraw/zinc/45/17/20/304451720.db2.gz ADTWCMWJIFKBBF-GOSISDBHSA-N 2 1 336.455 1.634 20 0 EDADMP C[NH+](C)CCc1ccc(CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1 ZINC000418052688 304451758 /nfs/dbraw/zinc/45/17/58/304451758.db2.gz ADTWCMWJIFKBBF-SFHVURJKSA-N 2 1 336.455 1.634 20 0 EDADMP CC[C@@H]1CN(C(=O)CC2(C[NH3+])CCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000423869852 287132591 /nfs/dbraw/zinc/13/25/91/287132591.db2.gz IYDZOGSBIBRDLK-IAGOWNOFSA-N 2 1 337.508 1.855 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1C[C@H](C)O ZINC000345321761 287139731 /nfs/dbraw/zinc/13/97/31/287139731.db2.gz PYCRIMPXKJODAZ-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP CCN(C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000663553832 452263113 /nfs/dbraw/zinc/26/31/13/452263113.db2.gz MJUSPLYDIOKCBF-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CCN(C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663553832 452263124 /nfs/dbraw/zinc/26/31/24/452263124.db2.gz MJUSPLYDIOKCBF-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000120984052 287366769 /nfs/dbraw/zinc/36/67/69/287366769.db2.gz DPUZIGGQFYTTRP-SFHVURJKSA-N 2 1 342.524 1.987 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418431190 304495269 /nfs/dbraw/zinc/49/52/69/304495269.db2.gz SDMJPAXNUNTBTB-HZPDHXFCSA-N 2 1 326.485 1.256 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000237156712 273008290 /nfs/dbraw/zinc/00/82/90/273008290.db2.gz BDZJOFBAKLJTMS-ROUUACIJSA-N 2 1 338.540 1.674 20 0 EDADMP C[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000237547448 273010736 /nfs/dbraw/zinc/01/07/36/273010736.db2.gz PAODJTPUYMGRDW-MAUKXSAKSA-N 2 1 331.460 1.318 20 0 EDADMP [NH3+]C[C@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000237812123 273013114 /nfs/dbraw/zinc/01/31/14/273013114.db2.gz HYBPTJLEIMHRNZ-SFHVURJKSA-N 2 1 345.487 1.880 20 0 EDADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000275193369 268295613 /nfs/dbraw/zinc/29/56/13/268295613.db2.gz DONFBLSPNKBZCJ-RBUKOAKNSA-N 2 1 345.487 1.739 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000275193369 268295615 /nfs/dbraw/zinc/29/56/15/268295615.db2.gz DONFBLSPNKBZCJ-RBUKOAKNSA-N 2 1 345.487 1.739 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000275193369 268295618 /nfs/dbraw/zinc/29/56/18/268295618.db2.gz DONFBLSPNKBZCJ-RBUKOAKNSA-N 2 1 345.487 1.739 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CCC1 ZINC000276093281 268396400 /nfs/dbraw/zinc/39/64/00/268396400.db2.gz YDZUWTQUNUXIFC-SFHVURJKSA-N 2 1 344.503 1.576 20 0 EDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000274539821 273094231 /nfs/dbraw/zinc/09/42/31/273094231.db2.gz BRWDIQXPDHPTSF-HUUCEWRRSA-N 2 1 329.444 1.993 20 0 EDADMP C[NH+](C)CCc1ccc(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000276311053 273159208 /nfs/dbraw/zinc/15/92/08/273159208.db2.gz UDHPNTMWVJPKMI-GOSISDBHSA-N 2 1 330.476 1.780 20 0 EDADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000284431069 274199449 /nfs/dbraw/zinc/19/94/49/274199449.db2.gz RKBWCUKBBZCYTB-ATZDWAIDSA-N 2 1 345.487 1.941 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000284486760 274219662 /nfs/dbraw/zinc/21/96/62/274219662.db2.gz RPWFSHGAYPLWCK-UHFFFAOYSA-N 2 1 349.479 1.079 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000285079990 274445037 /nfs/dbraw/zinc/44/50/37/274445037.db2.gz WRDMELWMDOPOMP-UHFFFAOYSA-N 2 1 349.479 1.029 20 0 EDADMP Cc1c(C[NH2+]C[C@@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)cnn1C ZINC000354930224 274661023 /nfs/dbraw/zinc/66/10/23/274661023.db2.gz XDMZKFCLEMZDSW-CABCVRRESA-N 2 1 347.442 1.291 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000047884353 275669730 /nfs/dbraw/zinc/66/97/30/275669730.db2.gz HYKCQDZWRNDOGP-QGZVFWFLSA-N 2 1 340.512 1.515 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2(O)CCOCC2)[C@@H](C)C1 ZINC000353904640 276315746 /nfs/dbraw/zinc/31/57/46/276315746.db2.gz AXERHNXGDOQOFX-IRXDYDNUSA-N 2 1 328.497 1.645 20 0 EDADMP CC[NH+](CC)CCC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1nccn1C ZINC000338301404 276323772 /nfs/dbraw/zinc/32/37/72/276323772.db2.gz IXGNORDXYBFSES-IAGOWNOFSA-N 2 1 339.503 1.996 20 0 EDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1nccn1C ZINC000338301404 276323773 /nfs/dbraw/zinc/32/37/73/276323773.db2.gz IXGNORDXYBFSES-IAGOWNOFSA-N 2 1 339.503 1.996 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC000348108190 276375240 /nfs/dbraw/zinc/37/52/40/276375240.db2.gz JUNLBTGBXCYLAA-ULQDDVLXSA-N 2 1 338.496 1.365 20 0 EDADMP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245507923 276391268 /nfs/dbraw/zinc/39/12/68/276391268.db2.gz IQGPXELBLQSKSK-HOCLYGCPSA-N 2 1 329.510 1.265 20 0 EDADMP CCS(=O)(=O)NCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245507923 276391270 /nfs/dbraw/zinc/39/12/70/276391270.db2.gz IQGPXELBLQSKSK-HOCLYGCPSA-N 2 1 329.510 1.265 20 0 EDADMP CCS(=O)(=O)NCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245507923 276391272 /nfs/dbraw/zinc/39/12/72/276391272.db2.gz IQGPXELBLQSKSK-HOCLYGCPSA-N 2 1 329.510 1.265 20 0 EDADMP CCS(=O)(=O)NCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245507923 276391273 /nfs/dbraw/zinc/39/12/73/276391273.db2.gz IQGPXELBLQSKSK-HOCLYGCPSA-N 2 1 329.510 1.265 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@H]1CCC[NH+]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655227 452765121 /nfs/dbraw/zinc/76/51/21/452765121.db2.gz DZHJPQTUSIJKHB-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655227 452765091 /nfs/dbraw/zinc/76/50/91/452765091.db2.gz DZHJPQTUSIJKHB-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655227 452765099 /nfs/dbraw/zinc/76/50/99/452765099.db2.gz DZHJPQTUSIJKHB-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@H]1CCC[NH+]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655227 452765109 /nfs/dbraw/zinc/76/51/09/452765109.db2.gz DZHJPQTUSIJKHB-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@@H]1C ZINC000354331186 277065620 /nfs/dbraw/zinc/06/56/20/277065620.db2.gz QIQFMLUIVIOKHU-UGUYLWEFSA-N 2 1 339.480 1.141 20 0 EDADMP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423058368 277232963 /nfs/dbraw/zinc/23/29/63/277232963.db2.gz BYCINJFQNFJOGZ-YDZRNGNQSA-N 2 1 334.460 1.890 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000357234610 278062485 /nfs/dbraw/zinc/06/24/85/278062485.db2.gz BWSIHKHOIKFMOC-WMZOPIPTSA-N 2 1 325.412 1.698 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CCC[NH+]1C ZINC000426210183 278084352 /nfs/dbraw/zinc/08/43/52/278084352.db2.gz LBVGRJZKHNOLLO-UXLLHSPISA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)CCC[N@@H+]1C ZINC000426210183 278084353 /nfs/dbraw/zinc/08/43/53/278084353.db2.gz LBVGRJZKHNOLLO-UXLLHSPISA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)CCC[N@H+]1C ZINC000426210183 278084355 /nfs/dbraw/zinc/08/43/55/278084355.db2.gz LBVGRJZKHNOLLO-UXLLHSPISA-N 2 1 338.496 1.364 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1[NH+]1CCCC1 ZINC000355800037 278151860 /nfs/dbraw/zinc/15/18/60/278151860.db2.gz ULECVMIAWZOSHW-BHYGNILZSA-N 2 1 348.516 1.792 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000417087924 278970818 /nfs/dbraw/zinc/97/08/18/278970818.db2.gz IRMUBEQZEFLPHF-DLBZAZTESA-N 2 1 333.480 1.714 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000352213435 279108397 /nfs/dbraw/zinc/10/83/97/279108397.db2.gz HUEAAIJJNFSGQD-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000355454184 279150706 /nfs/dbraw/zinc/15/07/06/279150706.db2.gz VOOBLCUZYIIWES-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000355454184 279150707 /nfs/dbraw/zinc/15/07/07/279150707.db2.gz VOOBLCUZYIIWES-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000343176312 279177642 /nfs/dbraw/zinc/17/76/42/279177642.db2.gz ZXDVNLROUKYPBH-CVEARBPZSA-N 2 1 340.512 1.023 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn2c1CCCC2 ZINC000372155423 279329585 /nfs/dbraw/zinc/32/95/85/279329585.db2.gz FVXWBMPEAQUFTE-INIZCTEOSA-N 2 1 347.507 1.708 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000664175930 452843717 /nfs/dbraw/zinc/84/37/17/452843717.db2.gz RXGQKMUORZRVGL-UHFFFAOYSA-N 2 1 341.544 1.434 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H]2CCO[C@H]2c2ccnn2C)CCCO1 ZINC000343551610 288163028 /nfs/dbraw/zinc/16/30/28/288163028.db2.gz KDTDVUNZNNWUEL-JFIYKMOQSA-N 2 1 336.480 1.588 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236764073 280275076 /nfs/dbraw/zinc/27/50/76/280275076.db2.gz SPHIEZJYPIGDJR-DAYGRLMNSA-N 2 1 333.476 1.895 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236764073 280275077 /nfs/dbraw/zinc/27/50/77/280275077.db2.gz SPHIEZJYPIGDJR-DAYGRLMNSA-N 2 1 333.476 1.895 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343919847 288298089 /nfs/dbraw/zinc/29/80/89/288298089.db2.gz IDFLXYCQGFHSEQ-QAPCUYQASA-N 2 1 334.508 1.288 20 0 EDADMP C[C@H](C[NH+]1CC[C@@H](n2cccn2)C1)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291688116 289150870 /nfs/dbraw/zinc/15/08/70/289150870.db2.gz HGHHKVAZDZJSRS-NNZMDNLPSA-N 2 1 328.464 1.910 20 0 EDADMP C[C@@H](C[NH+]1CC[C@H](n2cccn2)C1)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291688116 289150872 /nfs/dbraw/zinc/15/08/72/289150872.db2.gz HGHHKVAZDZJSRS-NNZMDNLPSA-N 2 1 328.464 1.910 20 0 EDADMP C[C@@H](C[NH+]1CC[C@H](n2cccn2)C1)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291688116 289150873 /nfs/dbraw/zinc/15/08/73/289150873.db2.gz HGHHKVAZDZJSRS-NNZMDNLPSA-N 2 1 328.464 1.910 20 0 EDADMP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000291952325 289224281 /nfs/dbraw/zinc/22/42/81/289224281.db2.gz WTAPHHOYFKSARX-UHFFFAOYSA-N 2 1 349.479 1.259 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000247924507 289364751 /nfs/dbraw/zinc/36/47/51/289364751.db2.gz CMFXZCUYQSTGKW-NXHRZFHOSA-N 2 1 330.476 1.184 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000247924507 289364753 /nfs/dbraw/zinc/36/47/53/289364753.db2.gz CMFXZCUYQSTGKW-NXHRZFHOSA-N 2 1 330.476 1.184 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000333481222 297014695 /nfs/dbraw/zinc/01/46/95/297014695.db2.gz CDUXINXLMVSHHY-VQHPVUNQSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000358861893 299012023 /nfs/dbraw/zinc/01/20/23/299012023.db2.gz ZBCGEHUEUVOBCZ-ILXRZTDVSA-N 2 1 340.512 1.020 20 0 EDADMP CN(C)c1ncc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)n1C ZINC000419705179 304667512 /nfs/dbraw/zinc/66/75/12/304667512.db2.gz IMFSMCOOLQTYBQ-UHFFFAOYSA-N 2 1 346.479 1.501 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCCN[C@@H](c1nc[nH]n1)c1ccc(F)cc1 ZINC000293779521 303017385 /nfs/dbraw/zinc/01/73/85/303017385.db2.gz QANPQIIYVHNFCI-IAGOWNOFSA-N 2 1 347.438 1.860 20 0 EDADMP OC[C@H]1CCC[N@@H+]1CCCCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293779521 303017386 /nfs/dbraw/zinc/01/73/86/303017386.db2.gz QANPQIIYVHNFCI-IAGOWNOFSA-N 2 1 347.438 1.860 20 0 EDADMP O=C(NC1CC[NH+](CC2CC2)CC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294277102 303086272 /nfs/dbraw/zinc/08/62/72/303086272.db2.gz BHWHBISPPYQNIF-UHFFFAOYSA-N 2 1 325.416 1.872 20 0 EDADMP O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000295598914 303240150 /nfs/dbraw/zinc/24/01/50/303240150.db2.gz WYSUASVDGMRTFM-IBGZPJMESA-N 2 1 345.487 1.859 20 0 EDADMP CSC[C@H](O)C[N@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000296028967 303290153 /nfs/dbraw/zinc/29/01/53/303290153.db2.gz RXCRUETZULECAV-CABCVRRESA-N 2 1 337.489 1.859 20 0 EDADMP Cc1ccn2cc(CNC(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)nc2c1 ZINC000297273168 303381013 /nfs/dbraw/zinc/38/10/13/303381013.db2.gz GAHGHSVVROLIKC-OAHLLOKOSA-N 2 1 345.447 1.289 20 0 EDADMP COc1cc2[nH+]c(NCC3CC[NH+](C)CC3)nc(N)c2cc1OC ZINC000302808254 303735479 /nfs/dbraw/zinc/73/54/79/303735479.db2.gz GIDLGMOEHMLCMH-UHFFFAOYSA-N 2 1 331.420 1.983 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000414877683 447339081 /nfs/dbraw/zinc/33/90/81/447339081.db2.gz MMTNSTVHXRYWBM-ZDUSSCGKSA-N 2 1 332.448 1.334 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1 ZINC000414892693 447346176 /nfs/dbraw/zinc/34/61/76/447346176.db2.gz YBAUMYQKHXLYSA-QGZVFWFLSA-N 2 1 346.475 1.533 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1 ZINC000414892693 447346179 /nfs/dbraw/zinc/34/61/79/447346179.db2.gz YBAUMYQKHXLYSA-QGZVFWFLSA-N 2 1 346.475 1.533 20 0 EDADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OCC(=O)N1CCCC1 ZINC000414892893 447346301 /nfs/dbraw/zinc/34/63/01/447346301.db2.gz QHRKDPFLFKYHRA-MRXNPFEDSA-N 2 1 347.459 1.523 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@H]1CC[NH2+]C1)CC2 ZINC000422960586 304881212 /nfs/dbraw/zinc/88/12/12/304881212.db2.gz WWZXAAUOVBPPIP-INIZCTEOSA-N 2 1 347.459 1.320 20 0 EDADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1)N1CCCCC1 ZINC000423098822 304885899 /nfs/dbraw/zinc/88/58/99/304885899.db2.gz SMVSSKCMZAKSLU-ZRSRNVLSSA-N 2 1 349.519 1.914 20 0 EDADMP C[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C1(S(C)(=O)=O)CC1 ZINC000425895629 304976284 /nfs/dbraw/zinc/97/62/84/304976284.db2.gz KCALUPZJJYFJHZ-NSHDSACASA-N 2 1 327.450 1.197 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000429806711 305037637 /nfs/dbraw/zinc/03/76/37/305037637.db2.gz XLKQJTOOUMNWBM-QAPCUYQASA-N 2 1 336.524 1.392 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000430543849 305056024 /nfs/dbraw/zinc/05/60/24/305056024.db2.gz NHBXDWNBVPAOCK-IXDOHACOSA-N 2 1 333.476 1.938 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000430543849 305056025 /nfs/dbraw/zinc/05/60/25/305056025.db2.gz NHBXDWNBVPAOCK-IXDOHACOSA-N 2 1 333.476 1.938 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000430572540 305056589 /nfs/dbraw/zinc/05/65/89/305056589.db2.gz PPBMCDSHOHYANY-HIFRSBDPSA-N 2 1 326.485 1.839 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000430572540 305056590 /nfs/dbraw/zinc/05/65/90/305056590.db2.gz PPBMCDSHOHYANY-HIFRSBDPSA-N 2 1 326.485 1.839 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430632369 305060433 /nfs/dbraw/zinc/06/04/33/305060433.db2.gz XDLQOQMXIDEFNZ-ZMSDIMECSA-N 2 1 346.475 1.039 20 0 EDADMP O=C(CC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccccc1 ZINC000430642426 305061072 /nfs/dbraw/zinc/06/10/72/305061072.db2.gz KKBUJPMESDMYMY-MRXNPFEDSA-N 2 1 344.459 1.159 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000430886308 305066872 /nfs/dbraw/zinc/06/68/72/305066872.db2.gz AQSWRQRRZRGEFF-LJQANCHMSA-N 2 1 349.475 1.259 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430923527 305068347 /nfs/dbraw/zinc/06/83/47/305068347.db2.gz FSVAJOZBLCHVQE-MJBXVCDLSA-N 2 1 335.448 1.550 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430923527 305068348 /nfs/dbraw/zinc/06/83/48/305068348.db2.gz FSVAJOZBLCHVQE-MJBXVCDLSA-N 2 1 335.448 1.550 20 0 EDADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC1 ZINC000430925783 305068489 /nfs/dbraw/zinc/06/84/89/305068489.db2.gz DUUISKOYILEELY-UHFFFAOYSA-N 2 1 332.448 1.258 20 0 EDADMP Cc1c(C(=O)Nc2cc[nH+]c(N(C)C)c2)nnn1C1CC[NH2+]CC1 ZINC000431007328 305072600 /nfs/dbraw/zinc/07/26/00/305072600.db2.gz PMSRGMRZVWLZDB-UHFFFAOYSA-N 2 1 329.408 1.224 20 0 EDADMP COC1(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC[NH2+]CC1 ZINC000431062831 305074033 /nfs/dbraw/zinc/07/40/33/305074033.db2.gz UKANYIQTGALDCW-NVXWUHKLSA-N 2 1 331.460 1.707 20 0 EDADMP CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000432879643 305096859 /nfs/dbraw/zinc/09/68/59/305096859.db2.gz UTIHAKVEJRBQJS-UHFFFAOYSA-N 2 1 339.505 1.711 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433114692 305100713 /nfs/dbraw/zinc/10/07/13/305100713.db2.gz GZBQODBXODTWCS-UHFFFAOYSA-N 3 1 346.519 1.958 20 0 EDADMP CC[N@H+](C)Cc1cccc(CNC(=O)CCCN2CCC([NH3+])CC2)c1 ZINC000433114692 305100714 /nfs/dbraw/zinc/10/07/14/305100714.db2.gz GZBQODBXODTWCS-UHFFFAOYSA-N 2 1 346.519 1.958 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CCCN2CCC([NH3+])CC2)c1 ZINC000433114692 305100715 /nfs/dbraw/zinc/10/07/15/305100715.db2.gz GZBQODBXODTWCS-UHFFFAOYSA-N 2 1 346.519 1.958 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433127768 305101293 /nfs/dbraw/zinc/10/12/93/305101293.db2.gz UIFMTGWVLLIPHA-ZACQAIPSSA-N 2 1 338.540 1.672 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433157322 305101908 /nfs/dbraw/zinc/10/19/08/305101908.db2.gz FOBBSHFRRKIWPV-CALCHBBNSA-N 3 1 338.540 1.674 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433157322 305101909 /nfs/dbraw/zinc/10/19/09/305101909.db2.gz FOBBSHFRRKIWPV-CALCHBBNSA-N 2 1 338.540 1.674 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433157322 305101910 /nfs/dbraw/zinc/10/19/10/305101910.db2.gz FOBBSHFRRKIWPV-CALCHBBNSA-N 2 1 338.540 1.674 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433157323 305101922 /nfs/dbraw/zinc/10/19/22/305101922.db2.gz FOBBSHFRRKIWPV-IAGOWNOFSA-N 2 1 338.540 1.674 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000433326332 305105983 /nfs/dbraw/zinc/10/59/83/305105983.db2.gz KQLICJXGQZHBNU-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000433326332 305105984 /nfs/dbraw/zinc/10/59/84/305105984.db2.gz KQLICJXGQZHBNU-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000433326332 305105985 /nfs/dbraw/zinc/10/59/85/305105985.db2.gz KQLICJXGQZHBNU-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433380841 305106923 /nfs/dbraw/zinc/10/69/23/305106923.db2.gz FVABQYDWELBZSF-XUWVNRHRSA-N 2 1 348.495 1.299 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000433384671 305107140 /nfs/dbraw/zinc/10/71/40/305107140.db2.gz DSLPOTCESUKHFD-IXDOHACOSA-N 2 1 340.512 1.659 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C[C@H]1C ZINC000433402271 305108048 /nfs/dbraw/zinc/10/80/48/305108048.db2.gz WTZYNFIOBTVLGA-OWCLPIDISA-N 2 1 333.480 1.752 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433927483 305114865 /nfs/dbraw/zinc/11/48/65/305114865.db2.gz SBAFIFPROFEVAR-IAGOWNOFSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433927483 305114866 /nfs/dbraw/zinc/11/48/66/305114866.db2.gz SBAFIFPROFEVAR-IAGOWNOFSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433927483 305114867 /nfs/dbraw/zinc/11/48/67/305114867.db2.gz SBAFIFPROFEVAR-IAGOWNOFSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000434279858 305119619 /nfs/dbraw/zinc/11/96/19/305119619.db2.gz KGNRBAKDZDIWKR-OAHLLOKOSA-N 2 1 342.528 1.715 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000434279858 305119620 /nfs/dbraw/zinc/11/96/20/305119620.db2.gz KGNRBAKDZDIWKR-OAHLLOKOSA-N 2 1 342.528 1.715 20 0 EDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000435384792 305139537 /nfs/dbraw/zinc/13/95/37/305139537.db2.gz NWIKBSDCYWOKKK-INIZCTEOSA-N 2 1 331.460 1.729 20 0 EDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000435384792 305139538 /nfs/dbraw/zinc/13/95/38/305139538.db2.gz NWIKBSDCYWOKKK-INIZCTEOSA-N 2 1 331.460 1.729 20 0 EDADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000435396340 305139889 /nfs/dbraw/zinc/13/98/89/305139889.db2.gz YFMZTEIQFSWYOA-INIZCTEOSA-N 2 1 331.460 1.859 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000435506009 305141473 /nfs/dbraw/zinc/14/14/73/305141473.db2.gz FWSDETHHJJYKIO-OKILXGFUSA-N 2 1 336.484 1.548 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000435506009 305141474 /nfs/dbraw/zinc/14/14/74/305141474.db2.gz FWSDETHHJJYKIO-OKILXGFUSA-N 2 1 336.484 1.548 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[NH2+][C@H](C)[C@@H]2C)CC1 ZINC000436063051 305151950 /nfs/dbraw/zinc/15/19/50/305151950.db2.gz SSSOYYCHAZJIRN-MSOLQXFVSA-N 2 1 344.503 1.321 20 0 EDADMP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000442306992 305228433 /nfs/dbraw/zinc/22/84/33/305228433.db2.gz POZOUNWFSDQVAO-GJZGRUSLSA-N 2 1 346.475 1.280 20 0 EDADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000442306992 305228434 /nfs/dbraw/zinc/22/84/34/305228434.db2.gz POZOUNWFSDQVAO-GJZGRUSLSA-N 2 1 346.475 1.280 20 0 EDADMP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443066167 305234281 /nfs/dbraw/zinc/23/42/81/305234281.db2.gz DMZNDKDYDUBGNE-HUUCEWRRSA-N 2 1 349.475 1.942 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1(C)C ZINC000444265455 305244945 /nfs/dbraw/zinc/24/49/45/305244945.db2.gz FONQNUXQRHLIET-GPMSIDNRSA-N 2 1 337.508 1.709 20 0 EDADMP C[C@H](C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444348191 305246470 /nfs/dbraw/zinc/24/64/70/305246470.db2.gz BBIKDZYIWLKCRJ-XUWVNRHRSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@H](C(=O)N1CCC([NH+](C)C[C@H](C)O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444348191 305246471 /nfs/dbraw/zinc/24/64/71/305246471.db2.gz BBIKDZYIWLKCRJ-XUWVNRHRSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@H](C(=O)N1CCC([NH+](C)C[C@H](C)O)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444348191 305246472 /nfs/dbraw/zinc/24/64/72/305246472.db2.gz BBIKDZYIWLKCRJ-XUWVNRHRSA-N 2 1 325.497 1.551 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCSC1 ZINC000448250021 305294389 /nfs/dbraw/zinc/29/43/89/305294389.db2.gz RGMHTVXWUBJJDQ-CVEARBPZSA-N 2 1 342.553 1.797 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@H](C4CC4)[C@H]3C3CC3)cn2)CC1 ZINC000449531035 305313078 /nfs/dbraw/zinc/31/30/78/305313078.db2.gz AWQQKFIALOBUIH-QZTJIDSGSA-N 2 1 327.476 1.849 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@H](C4CC4)[C@H]3C3CC3)cn2)CC1 ZINC000449531035 305313079 /nfs/dbraw/zinc/31/30/79/305313079.db2.gz AWQQKFIALOBUIH-QZTJIDSGSA-N 2 1 327.476 1.849 20 0 EDADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccnn2Cc2cccs2)CC1 ZINC000515067296 305714475 /nfs/dbraw/zinc/71/44/75/305714475.db2.gz BUSMWWRVKKTEAR-UHFFFAOYSA-N 2 1 347.488 1.992 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000414931418 447362427 /nfs/dbraw/zinc/36/24/27/447362427.db2.gz BSIRMOPIAQZQBH-TYNCELHUSA-N 2 1 330.432 1.386 20 0 EDADMP C[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)c2cnccn2)C[C@H]1c1ccccc1 ZINC000551029835 306155546 /nfs/dbraw/zinc/15/55/46/306155546.db2.gz AWCRYSXUBBFFIC-AEFFLSMTSA-N 2 1 339.443 1.632 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]CCNC(=O)c2cnccn2)C[C@H]1c1ccccc1 ZINC000551029835 306155547 /nfs/dbraw/zinc/15/55/47/306155547.db2.gz AWCRYSXUBBFFIC-AEFFLSMTSA-N 2 1 339.443 1.632 20 0 EDADMP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000557512682 306228548 /nfs/dbraw/zinc/22/85/48/306228548.db2.gz ZSNJOKMDEHAHJE-LJQANCHMSA-N 2 1 344.503 1.214 20 0 EDADMP Cc1nccn1CCCCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458440273 447369003 /nfs/dbraw/zinc/36/90/03/447369003.db2.gz UZAKWIPTHCIHJG-INIZCTEOSA-N 2 1 337.468 1.118 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458440273 447369009 /nfs/dbraw/zinc/36/90/09/447369009.db2.gz UZAKWIPTHCIHJG-INIZCTEOSA-N 2 1 337.468 1.118 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000414963994 447377008 /nfs/dbraw/zinc/37/70/08/447377008.db2.gz BRLOHNNUFTZZEF-KRWDZBQOSA-N 2 1 346.475 1.677 20 0 EDADMP CC[NH+]1CCN(CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000073726283 441347526 /nfs/dbraw/zinc/34/75/26/441347526.db2.gz PZMGSANDBCPWDF-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000073728649 441347056 /nfs/dbraw/zinc/34/70/56/441347056.db2.gz KLLXGFRQHMAVFL-MRXNPFEDSA-N 2 1 329.488 1.886 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)n1C ZINC000083694068 441367962 /nfs/dbraw/zinc/36/79/62/441367962.db2.gz GUSVDBJSIZZXSI-UHFFFAOYSA-N 2 1 336.484 1.550 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NCc2cccc(C[NH+](C)C)c2)n1C ZINC000083702335 441369267 /nfs/dbraw/zinc/36/92/67/441369267.db2.gz NVYMJWZFIWHTON-UHFFFAOYSA-N 2 1 344.463 1.547 20 0 EDADMP CCCNC(=O)NC(=O)C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000052183972 441437949 /nfs/dbraw/zinc/43/79/49/441437949.db2.gz WEIILCDCVCBWFL-UHFFFAOYSA-N 2 1 338.496 1.666 20 0 EDADMP CCCNC(=O)NC(=O)C[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000075007869 441485573 /nfs/dbraw/zinc/48/55/73/441485573.db2.gz FSQUQPVTNULPNM-UHFFFAOYSA-N 2 1 342.484 1.045 20 0 EDADMP C[C@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000112512623 441549667 /nfs/dbraw/zinc/54/96/67/441549667.db2.gz ZPRHCMZMHGZBKY-MRXNPFEDSA-N 2 1 348.491 1.592 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN2CCC[C@@H]2C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000066665214 441559247 /nfs/dbraw/zinc/55/92/47/441559247.db2.gz BJEVADFZBAXRTD-TVFCKZIOSA-N 2 1 325.497 1.017 20 0 EDADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000075860921 441560769 /nfs/dbraw/zinc/56/07/69/441560769.db2.gz XBIFPGOOLWGABV-HNNXBMFYSA-N 2 1 336.480 1.657 20 0 EDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000075860921 441560771 /nfs/dbraw/zinc/56/07/71/441560771.db2.gz XBIFPGOOLWGABV-HNNXBMFYSA-N 2 1 336.480 1.657 20 0 EDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000075860921 441560772 /nfs/dbraw/zinc/56/07/72/441560772.db2.gz XBIFPGOOLWGABV-HNNXBMFYSA-N 2 1 336.480 1.657 20 0 EDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000075860921 441560774 /nfs/dbraw/zinc/56/07/74/441560774.db2.gz XBIFPGOOLWGABV-HNNXBMFYSA-N 2 1 336.480 1.657 20 0 EDADMP O=S(=O)(NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000090603478 441637878 /nfs/dbraw/zinc/63/78/78/441637878.db2.gz FCTDPSCANQJSSP-CHWSQXEVSA-N 2 1 329.491 1.243 20 0 EDADMP O=S(=O)(NCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000090603478 441637881 /nfs/dbraw/zinc/63/78/81/441637881.db2.gz FCTDPSCANQJSSP-CHWSQXEVSA-N 2 1 329.491 1.243 20 0 EDADMP Cn1ccnc1C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000136958484 441735010 /nfs/dbraw/zinc/73/50/10/441735010.db2.gz NYJMNPXZSBELGV-HOTGVXAUSA-N 2 1 345.491 1.869 20 0 EDADMP CCCCNC(=O)CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000116388888 441817029 /nfs/dbraw/zinc/81/70/29/441817029.db2.gz JSARAYKIRQJVQZ-HDICACEKSA-N 2 1 338.540 1.783 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000115851634 441784799 /nfs/dbraw/zinc/78/47/99/441784799.db2.gz LSZINTFRQUEOKY-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000115851634 441784803 /nfs/dbraw/zinc/78/48/03/441784803.db2.gz LSZINTFRQUEOKY-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077596935 441812571 /nfs/dbraw/zinc/81/25/71/441812571.db2.gz AORWFWLPIBUCHW-UHFFFAOYSA-N 2 1 340.512 1.472 20 0 EDADMP CN(C(=O)[C@@H]1CN(C)CCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000173707424 441826890 /nfs/dbraw/zinc/82/68/90/441826890.db2.gz MJCGAAXNBZSDAN-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000118898970 441909754 /nfs/dbraw/zinc/90/97/54/441909754.db2.gz ULDYVMGTDZOZEB-MRXNPFEDSA-N 2 1 346.475 1.187 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000119663550 441945784 /nfs/dbraw/zinc/94/57/84/441945784.db2.gz CKBAHLQPNIIGED-IRXDYDNUSA-N 2 1 340.512 1.394 20 0 EDADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)[C@@H]1C ZINC000174718049 441957826 /nfs/dbraw/zinc/95/78/26/441957826.db2.gz HPVJGJVQHDNVFX-KZNAEPCWSA-N 2 1 338.540 1.497 20 0 EDADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)[C@@H]1C ZINC000174718049 441957830 /nfs/dbraw/zinc/95/78/30/441957830.db2.gz HPVJGJVQHDNVFX-KZNAEPCWSA-N 2 1 338.540 1.497 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000079092809 442017933 /nfs/dbraw/zinc/01/79/33/442017933.db2.gz WBBLSANGNOQMIB-OAGGEKHMSA-N 2 1 338.496 1.269 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC000126121835 442081280 /nfs/dbraw/zinc/08/12/80/442081280.db2.gz ORWFVXPOUUAWIT-MRXNPFEDSA-N 2 1 328.501 1.232 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000126121835 442081286 /nfs/dbraw/zinc/08/12/86/442081286.db2.gz ORWFVXPOUUAWIT-MRXNPFEDSA-N 2 1 328.501 1.232 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000126121835 442081291 /nfs/dbraw/zinc/08/12/91/442081291.db2.gz ORWFVXPOUUAWIT-MRXNPFEDSA-N 2 1 328.501 1.232 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000175773843 442119333 /nfs/dbraw/zinc/11/93/33/442119333.db2.gz SZLJGRDWFDHXPC-QGZVFWFLSA-N 2 1 340.512 1.472 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000096235993 442098206 /nfs/dbraw/zinc/09/82/06/442098206.db2.gz BNYDOMIFXVHBBW-SFHVURJKSA-N 2 1 331.460 1.490 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000096235993 442098209 /nfs/dbraw/zinc/09/82/09/442098209.db2.gz BNYDOMIFXVHBBW-SFHVURJKSA-N 2 1 331.460 1.490 20 0 EDADMP C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1)[NH+]1CCSCC1 ZINC000152350551 442200927 /nfs/dbraw/zinc/20/09/27/442200927.db2.gz QAOYUXROYBJVSE-CVEARBPZSA-N 2 1 325.522 1.901 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C[N@H+]1C1CC1 ZINC000127420141 442200913 /nfs/dbraw/zinc/20/09/13/442200913.db2.gz HNDIJDKYULTLNV-HUUCEWRRSA-N 2 1 336.480 1.118 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000164718344 442202197 /nfs/dbraw/zinc/20/21/97/442202197.db2.gz LNAJUHZBHYQLTI-AEFFLSMTSA-N 2 1 349.475 1.801 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000163400969 442163634 /nfs/dbraw/zinc/16/36/34/442163634.db2.gz CPVPMKUSLLPNAZ-IAGOWNOFSA-N 2 1 338.496 1.225 20 0 EDADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000165806973 442211501 /nfs/dbraw/zinc/21/15/01/442211501.db2.gz DLGABJMDFSFOPT-RDTXWAMCSA-N 2 1 346.475 1.315 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)[C@@H]3CCC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000166547417 442217003 /nfs/dbraw/zinc/21/70/03/442217003.db2.gz ONQISWZSPMJKCO-OAHLLOKOSA-N 2 1 331.464 1.520 20 0 EDADMP CCOC(=O)c1c[n-]n(C2CCN(CC[C@@H]3CCC[N@H+]3C)CC2)c1=N ZINC000128666785 442281068 /nfs/dbraw/zinc/28/10/68/442281068.db2.gz VWULVEJIOKDARU-AWEZNQCLSA-N 2 1 349.479 1.594 20 0 EDADMP C[N@@H+](CC(=O)N1CCN(CCc2ccccc2)CC1)[C@H]1CCSC1 ZINC000153786730 442302778 /nfs/dbraw/zinc/30/27/78/442302778.db2.gz QYLPUFSZWBPTSK-SFHVURJKSA-N 2 1 347.528 1.811 20 0 EDADMP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129543973 442321784 /nfs/dbraw/zinc/32/17/84/442321784.db2.gz UACHAGYRBRQWCD-XMTFNYHQSA-N 2 1 337.508 1.534 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000154997357 442369879 /nfs/dbraw/zinc/36/98/79/442369879.db2.gz XCUGPLAWBKZYPM-GOSISDBHSA-N 2 1 344.503 1.916 20 0 EDADMP CC(C)[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000155622644 442413484 /nfs/dbraw/zinc/41/34/84/442413484.db2.gz NIPNTLVBAQYZMH-GOSISDBHSA-N 2 1 333.476 1.835 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000178392222 442429647 /nfs/dbraw/zinc/42/96/47/442429647.db2.gz GAJJBAIMGLSNDV-OAHLLOKOSA-N 2 1 331.526 1.642 20 0 EDADMP CC[N@@H+]1CCc2nc(NC(=O)[C@H]3CCn4ccnc4C3)sc2C1 ZINC000155958649 442439280 /nfs/dbraw/zinc/43/92/80/442439280.db2.gz DWJROMLKERPDHS-NSHDSACASA-N 2 1 331.445 1.919 20 0 EDADMP CC[N@H+]1CCc2nc(NC(=O)[C@H]3CCn4ccnc4C3)sc2C1 ZINC000155958649 442439282 /nfs/dbraw/zinc/43/92/82/442439282.db2.gz DWJROMLKERPDHS-NSHDSACASA-N 2 1 331.445 1.919 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172413746 442456957 /nfs/dbraw/zinc/45/69/57/442456957.db2.gz SQKHDBXYQUFWMA-GOSISDBHSA-N 2 1 337.508 1.966 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178856757 442504967 /nfs/dbraw/zinc/50/49/67/442504967.db2.gz MMXXWZMZIHOXGR-IYBDPMFKSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000172624148 442508402 /nfs/dbraw/zinc/50/84/02/442508402.db2.gz SLMVEGJBIJKGAW-SJORKVTESA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000178719883 442462789 /nfs/dbraw/zinc/46/27/89/442462789.db2.gz SHCSSSHOESNDGI-YQQAZPJKSA-N 2 1 331.460 1.522 20 0 EDADMP COC(=O)C[C@H]1CCC[N@H+]1C/C=C/C[NH+]1CCC[C@H]1CC(=O)OC ZINC000179621535 442481791 /nfs/dbraw/zinc/48/17/91/442481791.db2.gz ZZIHMTIFDYWRLL-ZOSBBBERSA-N 2 1 338.448 1.598 20 0 EDADMP COC(=O)C[C@H]1CCC[NH+]1C/C=C/C[N@@H+]1CCC[C@H]1CC(=O)OC ZINC000179621535 442481796 /nfs/dbraw/zinc/48/17/96/442481796.db2.gz ZZIHMTIFDYWRLL-ZOSBBBERSA-N 2 1 338.448 1.598 20 0 EDADMP COC(=O)C[C@H]1CCC[NH+]1C/C=C/C[N@H+]1CCC[C@H]1CC(=O)OC ZINC000179621535 442481800 /nfs/dbraw/zinc/48/18/00/442481800.db2.gz ZZIHMTIFDYWRLL-ZOSBBBERSA-N 2 1 338.448 1.598 20 0 EDADMP C[NH+]1CCN([C@H]2CCCCN(C(=O)c3ccc(C[NH3+])cc3)C2)CC1 ZINC000186459333 442539327 /nfs/dbraw/zinc/53/93/27/442539327.db2.gz OIXDNSHWEACPMC-SFHVURJKSA-N 2 1 330.476 1.387 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1CC[NH2+]CC1 ZINC000178890324 442515602 /nfs/dbraw/zinc/51/56/02/442515602.db2.gz DMRCNPHLEQBNAL-MRXNPFEDSA-N 2 1 330.476 1.313 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178891245 442516294 /nfs/dbraw/zinc/51/62/94/442516294.db2.gz GJJSEPCCDOUFAF-MRXNPFEDSA-N 2 1 346.475 1.251 20 0 EDADMP CCN1CCC([N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000157512509 442589580 /nfs/dbraw/zinc/58/95/80/442589580.db2.gz HUCKGXSPVPIWSE-UHFFFAOYSA-N 2 1 341.477 1.129 20 0 EDADMP CC[NH+]1CCC(N(C)CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000157512509 442589585 /nfs/dbraw/zinc/58/95/85/442589585.db2.gz HUCKGXSPVPIWSE-UHFFFAOYSA-N 2 1 341.477 1.129 20 0 EDADMP CC[NH+]1CCC([N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000157512509 442589589 /nfs/dbraw/zinc/58/95/89/442589589.db2.gz HUCKGXSPVPIWSE-UHFFFAOYSA-N 2 1 341.477 1.129 20 0 EDADMP CC[NH+]1CCC([N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000157512509 442589594 /nfs/dbraw/zinc/58/95/94/442589594.db2.gz HUCKGXSPVPIWSE-UHFFFAOYSA-N 2 1 341.477 1.129 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000179214784 442598274 /nfs/dbraw/zinc/59/82/74/442598274.db2.gz VEQNLAVHZRQWLQ-PKOBYXMFSA-N 2 1 344.503 1.390 20 0 EDADMP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000186716705 442599904 /nfs/dbraw/zinc/59/99/04/442599904.db2.gz MTZOKBYUNAWEJC-LJQANCHMSA-N 2 1 344.503 1.528 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000186716705 442599908 /nfs/dbraw/zinc/59/99/08/442599908.db2.gz MTZOKBYUNAWEJC-LJQANCHMSA-N 2 1 344.503 1.528 20 0 EDADMP CCN(C)C(=O)CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188273035 442732450 /nfs/dbraw/zinc/73/24/50/442732450.db2.gz WDGFSVCOAINBSF-IBGZPJMESA-N 2 1 333.476 1.424 20 0 EDADMP CCN(C)C(=O)CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188273035 442732452 /nfs/dbraw/zinc/73/24/52/442732452.db2.gz WDGFSVCOAINBSF-IBGZPJMESA-N 2 1 333.476 1.424 20 0 EDADMP CCN(C)C(=O)CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188273035 442732454 /nfs/dbraw/zinc/73/24/54/442732454.db2.gz WDGFSVCOAINBSF-IBGZPJMESA-N 2 1 333.476 1.424 20 0 EDADMP CCN(C)C(=O)CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188273035 442732456 /nfs/dbraw/zinc/73/24/56/442732456.db2.gz WDGFSVCOAINBSF-IBGZPJMESA-N 2 1 333.476 1.424 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000181739424 442713718 /nfs/dbraw/zinc/71/37/18/442713718.db2.gz RELYVLQXPXCVKS-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP CC(C)COC[C@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182626407 442797650 /nfs/dbraw/zinc/79/76/50/442797650.db2.gz KTYXXALHUSAHMK-ZZJWQFMZSA-N 2 1 339.524 1.263 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000246403467 442779759 /nfs/dbraw/zinc/77/97/59/442779759.db2.gz KDJCVYHMPAGJSB-HOTGVXAUSA-N 2 1 328.501 1.326 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C(=O)OC ZINC000248155852 442885234 /nfs/dbraw/zinc/88/52/34/442885234.db2.gz RIUHCWWVZDHBBO-JKQORVJESA-N 2 1 339.480 1.106 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1(C)C ZINC000249077920 442950156 /nfs/dbraw/zinc/95/01/56/442950156.db2.gz OYYRBJSKGPGLJY-FRQCXROJSA-N 2 1 337.508 1.900 20 0 EDADMP COC[C@@H]1C[NH+](CCCC[N@H+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000251888271 443020075 /nfs/dbraw/zinc/02/00/75/443020075.db2.gz QCOFOXJYXGNCKA-XSLAGTTESA-N 2 1 344.496 1.238 20 0 EDADMP CC(C)C[C@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000236629574 443140788 /nfs/dbraw/zinc/14/07/88/443140788.db2.gz MMWYGKFKRVYRAZ-SJLPKXTDSA-N 2 1 339.524 1.875 20 0 EDADMP CC(CN1CC[C@@H]([NH+]2CCCC2)C1)C[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000226697573 443122376 /nfs/dbraw/zinc/12/23/76/443122376.db2.gz CJYBIHLVEBLZPC-WOJBJXKFSA-N 2 1 334.552 1.963 20 0 EDADMP CC(CN1CC[C@@H]([NH+]2CCCC2)C1)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000226697573 443122380 /nfs/dbraw/zinc/12/23/80/443122380.db2.gz CJYBIHLVEBLZPC-WOJBJXKFSA-N 2 1 334.552 1.963 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000237202125 443163248 /nfs/dbraw/zinc/16/32/48/443163248.db2.gz TWNMSRLKWAQYNU-LJQANCHMSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000237202125 443163256 /nfs/dbraw/zinc/16/32/56/443163256.db2.gz TWNMSRLKWAQYNU-LJQANCHMSA-N 2 1 344.503 1.481 20 0 EDADMP c1cnc(N2CCOCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261977021 443177546 /nfs/dbraw/zinc/17/75/46/443177546.db2.gz RGZCQUYEGBYIKM-RCCFBDPRSA-N 2 1 346.475 1.165 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000262136235 443183899 /nfs/dbraw/zinc/18/38/99/443183899.db2.gz YTPNIJHOKJYGDI-QGZVFWFLSA-N 2 1 345.491 1.501 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H](C)C[NH2+]C)cc2F)CC1 ZINC000236894501 443151405 /nfs/dbraw/zinc/15/14/05/443151405.db2.gz DVRFDOXBXRIOFS-AWEZNQCLSA-N 2 1 336.455 1.553 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245398403 443223267 /nfs/dbraw/zinc/22/32/67/443223267.db2.gz SLHAJZIMZWEJDI-ARFHVFGLSA-N 2 1 342.528 1.904 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245398403 443223270 /nfs/dbraw/zinc/22/32/70/443223270.db2.gz SLHAJZIMZWEJDI-ARFHVFGLSA-N 2 1 342.528 1.904 20 0 EDADMP CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000185604475 443225766 /nfs/dbraw/zinc/22/57/66/443225766.db2.gz AOGKBGBKAWAILI-BBWFWOEESA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@H]1[C@@H](C)CC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000185604475 443225769 /nfs/dbraw/zinc/22/57/69/443225769.db2.gz AOGKBGBKAWAILI-BBWFWOEESA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@H]1[C@@H](C)CC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000185604475 443225770 /nfs/dbraw/zinc/22/57/70/443225770.db2.gz AOGKBGBKAWAILI-BBWFWOEESA-N 2 1 325.497 1.580 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)[C@H]3CCCn4ccnc43)CC2)CCO1 ZINC000245419003 443225939 /nfs/dbraw/zinc/22/59/39/443225939.db2.gz LMDGECPQXRNVSZ-HOCLYGCPSA-N 2 1 332.448 1.472 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000185700260 443240526 /nfs/dbraw/zinc/24/05/26/443240526.db2.gz YVDFMPPDWYDYMD-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185700260 443240532 /nfs/dbraw/zinc/24/05/32/443240532.db2.gz YVDFMPPDWYDYMD-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185700260 443240537 /nfs/dbraw/zinc/24/05/37/443240537.db2.gz YVDFMPPDWYDYMD-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)CN1CC[NH+](C)CC1 ZINC000262648061 443205780 /nfs/dbraw/zinc/20/57/80/443205780.db2.gz POJYULKXRLXLKM-SOLBZPMBSA-N 2 1 332.492 1.322 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000262642373 443206054 /nfs/dbraw/zinc/20/60/54/443206054.db2.gz JFOGYBCQFJZZNS-HOCLYGCPSA-N 2 1 330.432 1.217 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000262642373 443206058 /nfs/dbraw/zinc/20/60/58/443206058.db2.gz JFOGYBCQFJZZNS-HOCLYGCPSA-N 2 1 330.432 1.217 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000262915793 443216482 /nfs/dbraw/zinc/21/64/82/443216482.db2.gz RFWCWGRUZLSSMK-SFHVURJKSA-N 2 1 333.476 1.721 20 0 EDADMP CCS(=O)(=O)NCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730452 443246486 /nfs/dbraw/zinc/24/64/86/443246486.db2.gz UXTPVKGVUIJAOR-GJZGRUSLSA-N 2 1 331.526 1.558 20 0 EDADMP C[C@@H](CCn1cccn1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000354092946 319107687 /nfs/dbraw/zinc/10/76/87/319107687.db2.gz PFQAZGAVMBXFKS-HKUYNNGSSA-N 2 1 328.460 1.888 20 0 EDADMP C[C@@H](CCn1cccn1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000354092946 319107688 /nfs/dbraw/zinc/10/76/88/319107688.db2.gz PFQAZGAVMBXFKS-HKUYNNGSSA-N 2 1 328.460 1.888 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000366242835 319118482 /nfs/dbraw/zinc/11/84/82/319118482.db2.gz CUJLERUAXRMYII-OIISXLGYSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000366242835 319118483 /nfs/dbraw/zinc/11/84/83/319118483.db2.gz CUJLERUAXRMYII-OIISXLGYSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)[C@H](C)N(C)Cc1ccccc1)[C@H](C)N1CCOCC1 ZINC000266819419 443254696 /nfs/dbraw/zinc/25/46/96/443254696.db2.gz JFIVDIPXBDTVBV-ULQDDVLXSA-N 2 1 333.476 1.732 20 0 EDADMP O=C([C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000414656858 319337431 /nfs/dbraw/zinc/33/74/31/319337431.db2.gz NSDRTCRZDDEKFE-FHWLQOOXSA-N 2 1 327.472 1.934 20 0 EDADMP C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414687970 319342785 /nfs/dbraw/zinc/34/27/85/319342785.db2.gz CIQYFTJMRLKLNS-SOLBZPMBSA-N 2 1 331.460 1.646 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000414993155 319344460 /nfs/dbraw/zinc/34/44/60/319344460.db2.gz LEVFYULFYPHMGF-QGZVFWFLSA-N 2 1 346.475 1.581 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000415182743 319347961 /nfs/dbraw/zinc/34/79/61/319347961.db2.gz BXQHHSMQKJHZGP-MRXNPFEDSA-N 2 1 344.459 1.478 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000415254591 319357372 /nfs/dbraw/zinc/35/73/72/319357372.db2.gz KZJHDQOCOQNPSW-KBPBESRZSA-N 2 1 344.459 1.588 20 0 EDADMP C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)C[C@@H]1[NH3+] ZINC000415833777 319375969 /nfs/dbraw/zinc/37/59/69/319375969.db2.gz IEQJRHBJJZKZQQ-HZMBPMFUSA-N 2 1 338.839 1.146 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cn2cc[nH+]c12 ZINC000415837834 319376506 /nfs/dbraw/zinc/37/65/06/319376506.db2.gz CUUQBJRRBIWVPU-DGCLKSJQSA-N 2 1 329.404 1.025 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000415939721 319383689 /nfs/dbraw/zinc/38/36/89/319383689.db2.gz ZLOYOEBEQSXZNC-QGZVFWFLSA-N 2 1 334.464 1.764 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266877949 443276612 /nfs/dbraw/zinc/27/66/12/443276612.db2.gz OQSNXTXRVVCMTI-ZDUSSCGKSA-N 2 1 336.461 1.793 20 0 EDADMP C[C@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CCC[NH2+]C1 ZINC000269341763 443287275 /nfs/dbraw/zinc/28/72/75/443287275.db2.gz ITGSDASVBGUTPQ-LPHOPBHVSA-N 2 1 344.459 1.465 20 0 EDADMP C[C@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CCC[NH2+]C1 ZINC000269341763 443287276 /nfs/dbraw/zinc/28/72/76/443287276.db2.gz ITGSDASVBGUTPQ-LPHOPBHVSA-N 2 1 344.459 1.465 20 0 EDADMP C[N@H+](CCO)C1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000264371011 443266887 /nfs/dbraw/zinc/26/68/87/443266887.db2.gz MNPVATQEWLAENV-UHFFFAOYSA-N 2 1 331.460 1.354 20 0 EDADMP C[N@@H+](CCO)C1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000264371011 443266892 /nfs/dbraw/zinc/26/68/92/443266892.db2.gz MNPVATQEWLAENV-UHFFFAOYSA-N 2 1 331.460 1.354 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000264509130 443311471 /nfs/dbraw/zinc/31/14/71/443311471.db2.gz ZIBJOVJGBHMUDH-RBUKOAKNSA-N 2 1 345.487 1.566 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000264509130 443311474 /nfs/dbraw/zinc/31/14/74/443311474.db2.gz ZIBJOVJGBHMUDH-RBUKOAKNSA-N 2 1 345.487 1.566 20 0 EDADMP O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000282397772 443327269 /nfs/dbraw/zinc/32/72/69/443327269.db2.gz KHNABCMQHZGSQR-FGTMMUONSA-N 2 1 343.471 1.883 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000419042425 319546352 /nfs/dbraw/zinc/54/63/52/319546352.db2.gz PEQJRLAYLFACGF-STQMWFEESA-N 2 1 343.431 1.082 20 0 EDADMP CNC(=O)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000264609951 443345530 /nfs/dbraw/zinc/34/55/30/443345530.db2.gz NDCVPTYLBQXPFT-LJQANCHMSA-N 2 1 344.503 1.648 20 0 EDADMP CNC(=O)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000264609951 443345535 /nfs/dbraw/zinc/34/55/35/443345535.db2.gz NDCVPTYLBQXPFT-LJQANCHMSA-N 2 1 344.503 1.648 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267187599 443371939 /nfs/dbraw/zinc/37/19/39/443371939.db2.gz NXJDINWTKUROGD-HNNXBMFYSA-N 2 1 325.482 1.318 20 0 EDADMP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272654436 443398134 /nfs/dbraw/zinc/39/81/34/443398134.db2.gz LFZVPPHEOYLORG-PKOBYXMFSA-N 3 1 331.504 1.943 20 0 EDADMP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272654436 443398139 /nfs/dbraw/zinc/39/81/39/443398139.db2.gz LFZVPPHEOYLORG-PKOBYXMFSA-N 2 1 331.504 1.943 20 0 EDADMP C[C@H](CNC(=O)NCC[N@H+](C)C1CC1)[NH+]1CCc2sccc2C1 ZINC000264917475 443476070 /nfs/dbraw/zinc/47/60/70/443476070.db2.gz YMASKNRTNDUPRJ-CYBMUJFWSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CNC(=O)NCC[N@@H+](C)C1CC1)[NH+]1CCc2sccc2C1 ZINC000264917475 443476072 /nfs/dbraw/zinc/47/60/72/443476072.db2.gz YMASKNRTNDUPRJ-CYBMUJFWSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+](C)C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000264917475 443476076 /nfs/dbraw/zinc/47/60/76/443476076.db2.gz YMASKNRTNDUPRJ-CYBMUJFWSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+](C)C1CC1)[N@H+]1CCc2sccc2C1 ZINC000264917475 443476079 /nfs/dbraw/zinc/47/60/79/443476079.db2.gz YMASKNRTNDUPRJ-CYBMUJFWSA-N 2 1 336.505 1.888 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000264874078 443461755 /nfs/dbraw/zinc/46/17/55/443461755.db2.gz PRZAWPZAMGTCNF-UHFFFAOYSA-N 2 1 334.464 1.520 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000273148474 443551697 /nfs/dbraw/zinc/55/16/97/443551697.db2.gz YKHZRTYSVAODAV-IAGOWNOFSA-N 2 1 333.476 1.591 20 0 EDADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000430579502 319935223 /nfs/dbraw/zinc/93/52/23/319935223.db2.gz QOBFMKHFTWAQAV-UHFFFAOYSA-N 2 1 333.432 1.718 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000441397967 320094163 /nfs/dbraw/zinc/09/41/63/320094163.db2.gz RPBQRAWZYXDJCJ-LSDHHAIUSA-N 2 1 338.496 1.364 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444269854 320123700 /nfs/dbraw/zinc/12/37/00/320123700.db2.gz OUEKHBNSKUUSPG-ICSRJNTNSA-N 2 1 342.487 1.267 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)[C@H](C)C1 ZINC000449473894 320191910 /nfs/dbraw/zinc/19/19/10/320191910.db2.gz TWJWNPCXKKIETL-RHSMWYFYSA-N 2 1 339.505 1.757 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)[C@H](C)C1 ZINC000449473894 320191912 /nfs/dbraw/zinc/19/19/12/320191912.db2.gz TWJWNPCXKKIETL-RHSMWYFYSA-N 2 1 339.505 1.757 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H]2CCCCC[C@H]2C(=O)OC)CC1 ZINC000451235416 320232258 /nfs/dbraw/zinc/23/22/58/320232258.db2.gz PCUMIQNJPVVQMC-OAGGEKHMSA-N 2 1 339.480 1.251 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)CNS(C)(=O)=O)[C@H](C)C1 ZINC000453296450 320262804 /nfs/dbraw/zinc/26/28/04/320262804.db2.gz YSIPETKZYMXZGM-PMPSAXMXSA-N 2 1 349.541 1.041 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000457142688 320320657 /nfs/dbraw/zinc/32/06/57/320320657.db2.gz ZICTYKKCBIWABY-IEBWSBKVSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000457142688 320320658 /nfs/dbraw/zinc/32/06/58/320320658.db2.gz ZICTYKKCBIWABY-IEBWSBKVSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000457142688 320320659 /nfs/dbraw/zinc/32/06/59/320320659.db2.gz ZICTYKKCBIWABY-IEBWSBKVSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000457142688 320320660 /nfs/dbraw/zinc/32/06/60/320320660.db2.gz ZICTYKKCBIWABY-IEBWSBKVSA-N 2 1 345.487 1.424 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000457480541 320327480 /nfs/dbraw/zinc/32/74/80/320327480.db2.gz JMAPQXVHSUJZSW-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000457733104 320334130 /nfs/dbraw/zinc/33/41/30/320334130.db2.gz FIDRRNWSWOUAMX-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(=O)[nH]n1 ZINC000286292997 443684293 /nfs/dbraw/zinc/68/42/93/443684293.db2.gz WIHQGYQGLPIFKO-ZVZYQTTQSA-N 2 1 342.443 1.304 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000492814325 320387057 /nfs/dbraw/zinc/38/70/57/320387057.db2.gz AGZYNNNJLFIRLL-QGZVFWFLSA-N 2 1 339.524 1.972 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](OCc3ccncc3)C2)CC1 ZINC000280976204 443787439 /nfs/dbraw/zinc/78/74/39/443787439.db2.gz KVGWPQAIRABCMR-AEFFLSMTSA-N 2 1 346.475 1.225 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)N2CC[C@H](OCc3ccncc3)C2)CC1 ZINC000280976204 443787444 /nfs/dbraw/zinc/78/74/44/443787444.db2.gz KVGWPQAIRABCMR-AEFFLSMTSA-N 2 1 346.475 1.225 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000276682351 443790174 /nfs/dbraw/zinc/79/01/74/443790174.db2.gz SWOBOOOQEJEBFJ-RCCFBDPRSA-N 2 1 331.460 1.080 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)COc1ccc2c(c1)OCO2 ZINC000298540210 443794479 /nfs/dbraw/zinc/79/44/79/443794479.db2.gz SWQYGYJGYMBQJG-HNNXBMFYSA-N 2 1 334.416 1.371 20 0 EDADMP C[C@H]1CN(c2ccccc2C[NH2+]CCC[NH+]2CCC(O)CC2)CCO1 ZINC000298552520 443798564 /nfs/dbraw/zinc/79/85/64/443798564.db2.gz UXHHQHQIEKGPKV-KRWDZBQOSA-N 2 1 347.503 1.848 20 0 EDADMP CC[C@H](C(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1)[NH+](C)C ZINC000285054589 443838535 /nfs/dbraw/zinc/83/85/35/443838535.db2.gz VQWMBXIEBSTDCE-SQNIBIBYSA-N 2 1 333.476 1.905 20 0 EDADMP CC[C@H](C(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1)[NH+](C)C ZINC000285054589 443838538 /nfs/dbraw/zinc/83/85/38/443838538.db2.gz VQWMBXIEBSTDCE-SQNIBIBYSA-N 2 1 333.476 1.905 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292920248 443879526 /nfs/dbraw/zinc/87/95/26/443879526.db2.gz IESBGNHPQYNWPJ-LJQANCHMSA-N 2 1 345.443 1.449 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000276980446 443883362 /nfs/dbraw/zinc/88/33/62/443883362.db2.gz GUXPEHCMEXLTHP-UXHICEINSA-N 2 1 347.503 1.588 20 0 EDADMP COCC[NH+]1CC[C@@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000276980446 443883365 /nfs/dbraw/zinc/88/33/65/443883365.db2.gz GUXPEHCMEXLTHP-UXHICEINSA-N 2 1 347.503 1.588 20 0 EDADMP COCC[NH+]1CC[C@@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000276980446 443883368 /nfs/dbraw/zinc/88/33/68/443883368.db2.gz GUXPEHCMEXLTHP-UXHICEINSA-N 2 1 347.503 1.588 20 0 EDADMP CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000288482573 443894996 /nfs/dbraw/zinc/89/49/96/443894996.db2.gz YEEUBQTUZMKJBZ-ROUUACIJSA-N 2 1 349.475 1.523 20 0 EDADMP Cc1cc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000541672334 320774185 /nfs/dbraw/zinc/77/41/85/320774185.db2.gz JSPBSGFJNZZPKA-HNNXBMFYSA-N 2 1 348.495 1.033 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](CO)CC1)c1ccccc1 ZINC000293341464 443987900 /nfs/dbraw/zinc/98/79/00/443987900.db2.gz YTUBURLZHYXGKK-WMZOPIPTSA-N 2 1 333.476 1.500 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000299473438 444055392 /nfs/dbraw/zinc/05/53/92/444055392.db2.gz YQPLYHDZSLRDHV-BHIYHBOVSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000299473438 444055395 /nfs/dbraw/zinc/05/53/95/444055395.db2.gz YQPLYHDZSLRDHV-BHIYHBOVSA-N 2 1 345.487 1.782 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000557116172 321000014 /nfs/dbraw/zinc/00/00/14/321000014.db2.gz ORYLHPALXJYPPC-AEFFLSMTSA-N 2 1 338.496 1.128 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000557140005 321000451 /nfs/dbraw/zinc/00/04/51/321000451.db2.gz XFTXRXFNDXNKON-JKSUJKDBSA-N 2 1 330.476 1.814 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000561188116 321035769 /nfs/dbraw/zinc/03/57/69/321035769.db2.gz IPWQHECRZBSDRP-NJAFHUGGSA-N 2 1 330.476 1.806 20 0 EDADMP CN(C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC([NH3+])C1 ZINC000562800297 321076864 /nfs/dbraw/zinc/07/68/64/321076864.db2.gz HIGHSMYEHSWHPS-AOCRQIFASA-N 2 1 330.476 1.682 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000563060637 321091764 /nfs/dbraw/zinc/09/17/64/321091764.db2.gz UNMFYZPFRHSPJV-HZPDHXFCSA-N 2 1 348.495 1.415 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCO[C@@H](C)C3)CC2)CC1 ZINC000563375280 321106652 /nfs/dbraw/zinc/10/66/52/321106652.db2.gz FVFCAJRCNZTANK-INIZCTEOSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cnn(C)c3C)CC2)CC1 ZINC000563380178 321107222 /nfs/dbraw/zinc/10/72/22/321107222.db2.gz CKWIXGMQRHDTGV-UHFFFAOYSA-N 2 1 333.480 1.863 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](O)CC(C)(C)C2)CC1 ZINC000564777075 321147223 /nfs/dbraw/zinc/14/72/23/321147223.db2.gz FCIYBBLZCAVLKW-INIZCTEOSA-N 2 1 325.497 1.458 20 0 EDADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564857348 321152135 /nfs/dbraw/zinc/15/21/35/321152135.db2.gz KCDYGBZXUAUAGU-HUUCEWRRSA-N 2 1 336.432 1.477 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000566057723 321212790 /nfs/dbraw/zinc/21/27/90/321212790.db2.gz MWEBLEFWXUFEQQ-CGTJXYLNSA-N 2 1 348.466 1.912 20 0 EDADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)CN3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000566303800 321225983 /nfs/dbraw/zinc/22/59/83/321225983.db2.gz JSVJPFQITZQYGX-IBGZPJMESA-N 2 1 344.503 1.487 20 0 EDADMP CC(C)OC[C@@H](O)C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000568501037 321294536 /nfs/dbraw/zinc/29/45/36/321294536.db2.gz BTRHMJFNJPCSNX-PMACEKPBSA-N 2 1 349.519 1.741 20 0 EDADMP [NH3+]Cc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000569966873 321332405 /nfs/dbraw/zinc/33/24/05/321332405.db2.gz IEUMFQZKZPNJRD-ZWKOTPCHSA-N 2 1 346.475 1.588 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1cccnc1 ZINC000570898514 321362327 /nfs/dbraw/zinc/36/23/27/321362327.db2.gz YMFQSNOBGAZLHT-IKGGRYGDSA-N 2 1 332.448 1.594 20 0 EDADMP CC1(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000571030089 321368144 /nfs/dbraw/zinc/36/81/44/321368144.db2.gz RUZZWLBUCCMIFX-KRWDZBQOSA-N 2 1 330.476 1.950 20 0 EDADMP C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+]1CC(C)C1 ZINC000571102679 321371585 /nfs/dbraw/zinc/37/15/85/321371585.db2.gz SMZLIJSTKAXABR-APWZRJJASA-N 2 1 331.460 1.080 20 0 EDADMP C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC(C)C1 ZINC000571102679 321371586 /nfs/dbraw/zinc/37/15/86/321371586.db2.gz SMZLIJSTKAXABR-APWZRJJASA-N 2 1 331.460 1.080 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000571487714 321388388 /nfs/dbraw/zinc/38/83/88/321388388.db2.gz DLVWNENVCBSXBV-IBGZPJMESA-N 2 1 327.472 1.640 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)C[NH+](C)C1CC1 ZINC000289554351 444170823 /nfs/dbraw/zinc/17/08/23/444170823.db2.gz PAWPBUPIBNZYRV-LSTHTHJFSA-N 2 1 331.504 1.942 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000289554351 444170825 /nfs/dbraw/zinc/17/08/25/444170825.db2.gz PAWPBUPIBNZYRV-LSTHTHJFSA-N 2 1 331.504 1.942 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000289554351 444170827 /nfs/dbraw/zinc/17/08/27/444170827.db2.gz PAWPBUPIBNZYRV-LSTHTHJFSA-N 2 1 331.504 1.942 20 0 EDADMP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1O ZINC000289451354 444147717 /nfs/dbraw/zinc/14/77/17/444147717.db2.gz NDVHMOBNSDEULD-BBWFWOEESA-N 2 1 334.460 1.768 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000282327675 444149359 /nfs/dbraw/zinc/14/93/59/444149359.db2.gz FNARJBIWZDSXBV-MTNOOBJLSA-N 2 1 345.487 1.985 20 0 EDADMP COC(=O)c1ccc([C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000289504519 444160782 /nfs/dbraw/zinc/16/07/82/444160782.db2.gz ULBLNTIYBVDRLU-CQSZACIVSA-N 2 1 325.453 1.943 20 0 EDADMP Cc1cc(NC(=O)N2CCN(C[C@H](C)O)C[C@H]2C)cn2ccnc12 ZINC000296979842 444266666 /nfs/dbraw/zinc/26/66/66/444266666.db2.gz NWVNJTQFXZMDQG-KGLIPLIRSA-N 2 1 331.420 1.562 20 0 EDADMP CO[C@H](C[NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000290047036 444235504 /nfs/dbraw/zinc/23/55/04/444235504.db2.gz TVIDUHWKZCTTPT-OAHLLOKOSA-N 2 1 327.375 1.019 20 0 EDADMP CC[NH+]1CCN(c2ccccc2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC000297581460 444304001 /nfs/dbraw/zinc/30/40/01/444304001.db2.gz DRFFAQXUIDEXKG-UHFFFAOYSA-N 2 1 327.432 1.972 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290609088 444300893 /nfs/dbraw/zinc/30/08/93/444300893.db2.gz PMGVNFWMRJDKMM-GUDVDZBRSA-N 2 1 327.472 1.967 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@H]1CCSC1)c1cccc(F)c1 ZINC000339977043 444347651 /nfs/dbraw/zinc/34/76/51/444347651.db2.gz RYCRYVWKBQCCTI-HOTGVXAUSA-N 2 1 339.480 1.982 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000337683779 444350682 /nfs/dbraw/zinc/35/06/82/444350682.db2.gz OPUQCCINAIGETH-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000337683779 444350685 /nfs/dbraw/zinc/35/06/85/444350685.db2.gz OPUQCCINAIGETH-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000337683779 444350689 /nfs/dbraw/zinc/35/06/89/444350689.db2.gz OPUQCCINAIGETH-DLBZAZTESA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[NH+]1CCC(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000340504133 444414536 /nfs/dbraw/zinc/41/45/36/444414536.db2.gz HUYQZFSFFPTYIH-FQEVSTJZSA-N 2 1 331.504 1.868 20 0 EDADMP C[C@H](CO)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC1CCC1 ZINC000340562110 444439710 /nfs/dbraw/zinc/43/97/10/444439710.db2.gz VKRLPMNLWGYXHM-OAHLLOKOSA-N 2 1 333.480 1.211 20 0 EDADMP C[C@H](CO)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC1CCC1 ZINC000340562110 444439712 /nfs/dbraw/zinc/43/97/12/444439712.db2.gz VKRLPMNLWGYXHM-OAHLLOKOSA-N 2 1 333.480 1.211 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1conc1C(C)(C)[NH3+] ZINC000580211453 322024429 /nfs/dbraw/zinc/02/44/29/322024429.db2.gz WYBLWUWDERLNSA-UHFFFAOYSA-N 2 1 338.452 1.299 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC000580554664 322066344 /nfs/dbraw/zinc/06/63/44/322066344.db2.gz XFPBQRGXUFDOCL-ZACQAIPSSA-N 2 1 327.513 1.826 20 0 EDADMP COc1ccc2ccccc2c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000580570564 322069705 /nfs/dbraw/zinc/06/97/05/322069705.db2.gz CHPTYOZNKIFTKH-WMLDXEAASA-N 2 1 325.412 1.592 20 0 EDADMP C[C@@H](NC(=O)CC1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580644245 322077320 /nfs/dbraw/zinc/07/73/20/322077320.db2.gz LKAVSQNGTFZDTL-APWZRJJASA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H](NC(=O)CC1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580644245 322077323 /nfs/dbraw/zinc/07/73/23/322077323.db2.gz LKAVSQNGTFZDTL-APWZRJJASA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000580830844 322100778 /nfs/dbraw/zinc/10/07/78/322100778.db2.gz RHSPWIQNSZUVOM-WBMJQRKESA-N 2 1 330.432 1.215 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000580830844 322100780 /nfs/dbraw/zinc/10/07/80/322100780.db2.gz RHSPWIQNSZUVOM-WBMJQRKESA-N 2 1 330.432 1.215 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000581545052 322190169 /nfs/dbraw/zinc/19/01/69/322190169.db2.gz YNQRMTJJXBRGAC-DZGCQCFKSA-N 2 1 336.505 1.293 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000581893230 322230045 /nfs/dbraw/zinc/23/00/45/322230045.db2.gz LZXMKCINSBJSKO-KRWDZBQOSA-N 2 1 344.503 1.889 20 0 EDADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000329253127 444513453 /nfs/dbraw/zinc/51/34/53/444513453.db2.gz YXRICVKSCRTZTR-XJKSGUPXSA-N 2 1 346.431 1.697 20 0 EDADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000329253127 444513455 /nfs/dbraw/zinc/51/34/55/444513455.db2.gz YXRICVKSCRTZTR-XJKSGUPXSA-N 2 1 346.431 1.697 20 0 EDADMP C[N@@H+](CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000332850348 444573114 /nfs/dbraw/zinc/57/31/14/444573114.db2.gz VISXOZNPZVLVRU-DLBZAZTESA-N 2 1 338.496 1.148 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(O)cc1 ZINC000340957688 444597483 /nfs/dbraw/zinc/59/74/83/444597483.db2.gz IXTUYODWZOEMIZ-KRWDZBQOSA-N 2 1 348.491 1.950 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1c[nH]nc1C ZINC000343907355 444660829 /nfs/dbraw/zinc/66/08/29/444660829.db2.gz ONBRBRPPJJXLEL-INIZCTEOSA-N 2 1 336.484 1.276 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CC[N@H+]1C ZINC000341082624 444664361 /nfs/dbraw/zinc/66/43/61/444664361.db2.gz HQUAIGPVXZKKJZ-RDJZCZTQSA-N 2 1 348.491 1.909 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000333440289 444670899 /nfs/dbraw/zinc/67/08/99/444670899.db2.gz VZKJZMRUPMQYPC-YIYWWNGQSA-N 2 1 334.508 1.922 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1C ZINC000333439125 444671393 /nfs/dbraw/zinc/67/13/93/444671393.db2.gz VUJWSLITMZJTBV-KBPBESRZSA-N 2 1 334.468 1.017 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000341098231 444672698 /nfs/dbraw/zinc/67/26/98/444672698.db2.gz YRJCNDQZOJVUFS-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP CC(C)N1CCC[C@@H]([N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000343938354 444680952 /nfs/dbraw/zinc/68/09/52/444680952.db2.gz QFLAQANUAPEGDF-FGTMMUONSA-N 2 1 336.524 1.344 20 0 EDADMP CC(C)N1CCC[C@@H]([N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000343938354 444680957 /nfs/dbraw/zinc/68/09/57/444680957.db2.gz QFLAQANUAPEGDF-FGTMMUONSA-N 2 1 336.524 1.344 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000342341319 444641918 /nfs/dbraw/zinc/64/19/18/444641918.db2.gz SUICPGDVDIZEQK-WMLDXEAASA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000333927643 444720978 /nfs/dbraw/zinc/72/09/78/444720978.db2.gz WOSQEPRBEDMGLT-DMRKSPOLSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000333927643 444720984 /nfs/dbraw/zinc/72/09/84/444720984.db2.gz WOSQEPRBEDMGLT-DMRKSPOLSA-N 2 1 338.496 1.125 20 0 EDADMP CC(C)[N@H+](C)CCNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000338530052 444735936 /nfs/dbraw/zinc/73/59/36/444735936.db2.gz USXKNZBXQFWDMQ-UHFFFAOYSA-N 2 1 338.521 1.958 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000338530052 444735941 /nfs/dbraw/zinc/73/59/41/444735941.db2.gz USXKNZBXQFWDMQ-UHFFFAOYSA-N 2 1 338.521 1.958 20 0 EDADMP Cc1nccn1CCC[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000344123427 444793394 /nfs/dbraw/zinc/79/33/94/444793394.db2.gz VRUNBYPIUGTDDB-OAHLLOKOSA-N 2 1 340.493 1.375 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000344123427 444793399 /nfs/dbraw/zinc/79/33/99/444793399.db2.gz VRUNBYPIUGTDDB-OAHLLOKOSA-N 2 1 340.493 1.375 20 0 EDADMP COCCN1CC[C@@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000344122417 444793631 /nfs/dbraw/zinc/79/36/31/444793631.db2.gz SULMKWWOHQEATK-QGZVFWFLSA-N 2 1 339.524 1.720 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC000336857639 444805380 /nfs/dbraw/zinc/80/53/80/444805380.db2.gz UCJWJVXANLRGOC-XHSDSOJGSA-N 2 1 331.526 1.463 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC000336857639 444805382 /nfs/dbraw/zinc/80/53/82/444805382.db2.gz UCJWJVXANLRGOC-XHSDSOJGSA-N 2 1 331.526 1.463 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC000336857639 444805384 /nfs/dbraw/zinc/80/53/84/444805384.db2.gz UCJWJVXANLRGOC-XHSDSOJGSA-N 2 1 331.526 1.463 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000336857305 444805559 /nfs/dbraw/zinc/80/55/59/444805559.db2.gz RKVHUEGBMHBCEK-XHSDSOJGSA-N 2 1 331.526 1.320 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000336857305 444805563 /nfs/dbraw/zinc/80/55/63/444805563.db2.gz RKVHUEGBMHBCEK-XHSDSOJGSA-N 2 1 331.526 1.320 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000336857305 444805568 /nfs/dbraw/zinc/80/55/68/444805568.db2.gz RKVHUEGBMHBCEK-XHSDSOJGSA-N 2 1 331.526 1.320 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000336858615 444806546 /nfs/dbraw/zinc/80/65/46/444806546.db2.gz ZXOCGHATSWXLSN-OAHLLOKOSA-N 2 1 328.482 1.375 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000336858615 444806548 /nfs/dbraw/zinc/80/65/48/444806548.db2.gz ZXOCGHATSWXLSN-OAHLLOKOSA-N 2 1 328.482 1.375 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H](C)C(=O)N1CCCCC1 ZINC000344115997 444788894 /nfs/dbraw/zinc/78/88/94/444788894.db2.gz AKLVEQIZYCGVJS-GOSISDBHSA-N 2 1 338.540 1.737 20 0 EDADMP COC(=O)CCC[NH+]1CCC(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000342772610 444860088 /nfs/dbraw/zinc/86/00/88/444860088.db2.gz AEKNZSYPFVKRCB-NVXWUHKLSA-N 2 1 325.497 1.722 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000341524673 444875785 /nfs/dbraw/zinc/87/57/85/444875785.db2.gz AXZRUCPNNDIECH-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)C[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)[NH+]1CCOCC1 ZINC000336880284 444828153 /nfs/dbraw/zinc/82/81/53/444828153.db2.gz PIHOMYBRCOQNQE-GOSISDBHSA-N 2 1 331.460 1.767 20 0 EDADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC000341544196 444885582 /nfs/dbraw/zinc/88/55/82/444885582.db2.gz HCYCWZCVMWPPGV-UHFFFAOYSA-N 2 1 346.475 1.330 20 0 EDADMP CC[NH+](C)CCNC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000341544196 444885585 /nfs/dbraw/zinc/88/55/85/444885585.db2.gz HCYCWZCVMWPPGV-UHFFFAOYSA-N 2 1 346.475 1.330 20 0 EDADMP CC[NH+](C)CCNC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000341544196 444885589 /nfs/dbraw/zinc/88/55/89/444885589.db2.gz HCYCWZCVMWPPGV-UHFFFAOYSA-N 2 1 346.475 1.330 20 0 EDADMP C[C@@H]1COCCN1CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000337266370 445009601 /nfs/dbraw/zinc/00/96/01/445009601.db2.gz ZCRSWAFBUREEDM-HOJAQTOUSA-N 2 1 329.488 1.771 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000330654936 445081652 /nfs/dbraw/zinc/08/16/52/445081652.db2.gz NPDDSBZCXXMZOH-IUODEOHRSA-N 2 1 345.896 1.548 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@]12CCOC2)c1ccccc1 ZINC000341962194 445097118 /nfs/dbraw/zinc/09/71/18/445097118.db2.gz HBUZAAGJFDURMB-MJGOQNOKSA-N 2 1 331.460 1.660 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000339439345 445141347 /nfs/dbraw/zinc/14/13/47/445141347.db2.gz IDSIXARGNNYKSR-IBGZPJMESA-N 2 1 336.524 1.393 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342100327 445172472 /nfs/dbraw/zinc/17/24/72/445172472.db2.gz JWLZNKSYHIWPKS-JMGFVUJMSA-N 2 1 330.432 1.172 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342100327 445172474 /nfs/dbraw/zinc/17/24/74/445172474.db2.gz JWLZNKSYHIWPKS-JMGFVUJMSA-N 2 1 330.432 1.172 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000343216154 445143603 /nfs/dbraw/zinc/14/36/03/445143603.db2.gz DPKIOKLQPGFLPC-IBGZPJMESA-N 2 1 348.535 1.491 20 0 EDADMP O=C([C@@H]1C[NH+]2CCN1CCC2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000343216154 445143610 /nfs/dbraw/zinc/14/36/10/445143610.db2.gz DPKIOKLQPGFLPC-IBGZPJMESA-N 2 1 348.535 1.491 20 0 EDADMP O=C([C@@H]1C[NH+]2CCN1CCC2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000343216154 445143614 /nfs/dbraw/zinc/14/36/14/445143614.db2.gz DPKIOKLQPGFLPC-IBGZPJMESA-N 2 1 348.535 1.491 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000344862835 445146978 /nfs/dbraw/zinc/14/69/78/445146978.db2.gz OWKNSGPKFBADJS-QFBILLFUSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000344862835 445146983 /nfs/dbraw/zinc/14/69/83/445146983.db2.gz OWKNSGPKFBADJS-QFBILLFUSA-N 2 1 345.487 1.737 20 0 EDADMP C[NH+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C)CC1)C2 ZINC000339548151 445149247 /nfs/dbraw/zinc/14/92/47/445149247.db2.gz IZUVNDWWRZKJLE-KTGAGVNESA-N 2 1 349.523 1.033 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000339548151 445149251 /nfs/dbraw/zinc/14/92/51/445149251.db2.gz IZUVNDWWRZKJLE-KTGAGVNESA-N 2 1 349.523 1.033 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000339548151 445149254 /nfs/dbraw/zinc/14/92/54/445149254.db2.gz IZUVNDWWRZKJLE-KTGAGVNESA-N 2 1 349.523 1.033 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@H](c2nccn2C)C2CC2)[nH+]c1 ZINC000345005616 445156497 /nfs/dbraw/zinc/15/64/97/445156497.db2.gz BJLOYHIPOQQVCY-INIZCTEOSA-N 2 1 342.447 2.376 20 0 EDADMP CCC[C@@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000343338812 445204898 /nfs/dbraw/zinc/20/48/98/445204898.db2.gz LSBKICHSSHDAFL-SFHVURJKSA-N 2 1 347.507 1.440 20 0 EDADMP CN(CC(=O)N[C@@H]1CCOc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000345698046 445196908 /nfs/dbraw/zinc/19/69/08/445196908.db2.gz RSJMFJZDAOXUBJ-DOTOQJQBSA-N 2 1 331.460 1.900 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000346819210 445226230 /nfs/dbraw/zinc/22/62/30/445226230.db2.gz ICLMLZACXZWGKX-DOTOQJQBSA-N 2 1 325.497 1.581 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000343541592 445240875 /nfs/dbraw/zinc/24/08/75/445240875.db2.gz HIAPSNANVIUBOY-QGZVFWFLSA-N 2 1 347.507 1.623 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000343541592 445240878 /nfs/dbraw/zinc/24/08/78/445240878.db2.gz HIAPSNANVIUBOY-QGZVFWFLSA-N 2 1 347.507 1.623 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H]2CCO[C@@H]2c2ccnn2C)CCCO1 ZINC000343551612 445242821 /nfs/dbraw/zinc/24/28/21/445242821.db2.gz KDTDVUNZNNWUEL-NUJGCVRESA-N 2 1 336.480 1.588 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000348305261 445249575 /nfs/dbraw/zinc/24/95/75/445249575.db2.gz VGRFABWXHAUXIS-HOCLYGCPSA-N 2 1 336.480 1.074 20 0 EDADMP O=C1CCCN1C[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348304413 445249596 /nfs/dbraw/zinc/24/95/96/445249596.db2.gz HQWWKUQQWKAMSX-CEXWTWQISA-N 2 1 343.471 1.034 20 0 EDADMP O=C1CCCN1C[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348304413 445249598 /nfs/dbraw/zinc/24/95/98/445249598.db2.gz HQWWKUQQWKAMSX-CEXWTWQISA-N 2 1 343.471 1.034 20 0 EDADMP O=C1CCCN1C[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348304413 445249603 /nfs/dbraw/zinc/24/96/03/445249603.db2.gz HQWWKUQQWKAMSX-CEXWTWQISA-N 2 1 343.471 1.034 20 0 EDADMP O=C1CCCN1C[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348304413 445249605 /nfs/dbraw/zinc/24/96/05/445249605.db2.gz HQWWKUQQWKAMSX-CEXWTWQISA-N 2 1 343.471 1.034 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H](C)C[NH+]2CCCCCC2)[N@@H+](C)C1 ZINC000347888119 445254112 /nfs/dbraw/zinc/25/41/12/445254112.db2.gz LZFNONVGBGEBGN-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000348126557 445282523 /nfs/dbraw/zinc/28/25/23/445282523.db2.gz JYOPTJCVHUPPRV-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348143284 445287832 /nfs/dbraw/zinc/28/78/32/445287832.db2.gz LYTTZNIJDSCHCR-IXDOHACOSA-N 2 1 327.513 1.920 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348143284 445287836 /nfs/dbraw/zinc/28/78/36/445287836.db2.gz LYTTZNIJDSCHCR-IXDOHACOSA-N 2 1 327.513 1.920 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000351808796 445328975 /nfs/dbraw/zinc/32/89/75/445328975.db2.gz LPSBFJLNQRSTCO-WBVHZDCISA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351857427 445344948 /nfs/dbraw/zinc/34/49/48/445344948.db2.gz BFUBOQNQZLMMJW-CABCVRRESA-N 2 1 334.439 1.143 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351857427 445344950 /nfs/dbraw/zinc/34/49/50/445344950.db2.gz BFUBOQNQZLMMJW-CABCVRRESA-N 2 1 334.439 1.143 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351861403 445346236 /nfs/dbraw/zinc/34/62/36/445346236.db2.gz LDGNPSUWZMKNQC-GVDBMIGSSA-N 2 1 330.476 1.393 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351933754 445384086 /nfs/dbraw/zinc/38/40/86/445384086.db2.gz DNGDOTDTCMCVSC-JTDSTZFVSA-N 2 1 345.487 1.468 20 0 EDADMP COC(=O)c1cc(C[N@H+](C)C2CCN(CCO)CC2)c(C)s1 ZINC000362466249 445396785 /nfs/dbraw/zinc/39/67/85/445396785.db2.gz FNEAIEUXQRGINP-UHFFFAOYSA-N 2 1 326.462 1.732 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)C2CCN(CCO)CC2)c(C)s1 ZINC000362466249 445396790 /nfs/dbraw/zinc/39/67/90/445396790.db2.gz FNEAIEUXQRGINP-UHFFFAOYSA-N 2 1 326.462 1.732 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CCO[C@H]2CC[N@@H+](CC)C[C@H]21 ZINC000355354282 445456611 /nfs/dbraw/zinc/45/66/11/445456611.db2.gz RSTJNPQEFGAAAC-CVEARBPZSA-N 2 1 343.537 1.383 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000362609755 445461415 /nfs/dbraw/zinc/46/14/15/445461415.db2.gz VNOIXMHHZYTKEA-YOEHRIQHSA-N 2 1 344.459 1.210 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000362609755 445461418 /nfs/dbraw/zinc/46/14/18/445461418.db2.gz VNOIXMHHZYTKEA-YOEHRIQHSA-N 2 1 344.459 1.210 20 0 EDADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000352054207 445462271 /nfs/dbraw/zinc/46/22/71/445462271.db2.gz ZYXBMBQWLHJOCY-MRXNPFEDSA-N 2 1 327.513 1.970 20 0 EDADMP C[NH2+][C@@H](C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)c1cnn(C)c1 ZINC000357169211 445464515 /nfs/dbraw/zinc/46/45/15/445464515.db2.gz CHBRBICTYIFJEW-IAGOWNOFSA-N 2 1 335.496 1.553 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCc3nccn32)C[C@H](C)O1 ZINC000352143096 445511775 /nfs/dbraw/zinc/51/17/75/445511775.db2.gz ZFKGWXKRWZCQDE-ZNMIVQPWSA-N 2 1 334.464 1.765 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCc3nccn32)C[C@H](C)O1 ZINC000352143096 445511778 /nfs/dbraw/zinc/51/17/78/445511778.db2.gz ZFKGWXKRWZCQDE-ZNMIVQPWSA-N 2 1 334.464 1.765 20 0 EDADMP COC[C@@]1(CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000357274062 445519872 /nfs/dbraw/zinc/51/98/72/445519872.db2.gz XZBZLCSSFZPEFV-KXBFYZLASA-N 2 1 331.460 1.318 20 0 EDADMP COC[C@@]1(CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000357274062 445519875 /nfs/dbraw/zinc/51/98/75/445519875.db2.gz XZBZLCSSFZPEFV-KXBFYZLASA-N 2 1 331.460 1.318 20 0 EDADMP C[C@@H](C[NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000357249320 445506748 /nfs/dbraw/zinc/50/67/48/445506748.db2.gz RXHHIIDGKCAEEM-AWEZNQCLSA-N 2 1 338.883 1.563 20 0 EDADMP Cc1cncc(/C=C/C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000362790780 445551117 /nfs/dbraw/zinc/55/11/17/445551117.db2.gz BULMGEABZLRDCC-REMYHPOOSA-N 2 1 328.460 1.688 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H](C)C[NH+](C)C(C)C)CC[N@H+]1CCOC ZINC000360123116 445579701 /nfs/dbraw/zinc/57/97/01/445579701.db2.gz GDEIBVSGCRXLAN-SJORKVTESA-N 2 1 342.528 1.857 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC[NH+]1CCOC ZINC000360123116 445579705 /nfs/dbraw/zinc/57/97/05/445579705.db2.gz GDEIBVSGCRXLAN-SJORKVTESA-N 2 1 342.528 1.857 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC[NH+]1CCOC ZINC000360123116 445579709 /nfs/dbraw/zinc/57/97/09/445579709.db2.gz GDEIBVSGCRXLAN-SJORKVTESA-N 2 1 342.528 1.857 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000362771526 445541931 /nfs/dbraw/zinc/54/19/31/445541931.db2.gz YSDIRPKHCJGGOU-RDJZCZTQSA-N 2 1 333.480 1.004 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)CC[N@H+]1C ZINC000360044428 445542815 /nfs/dbraw/zinc/54/28/15/445542815.db2.gz FLINGOLFBOAPHE-CABCVRRESA-N 2 1 336.480 1.704 20 0 EDADMP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353501256 445631090 /nfs/dbraw/zinc/63/10/90/445631090.db2.gz YTCCLVSACXOERR-MHORFTMASA-N 2 1 336.524 1.392 20 0 EDADMP C[C@@H](CNC(=O)NCC1CC[NH+](CCO)CC1)[N@H+]1CCCC[C@@H]1C ZINC000349647172 445634243 /nfs/dbraw/zinc/63/42/43/445634243.db2.gz WDLJTTWIDZHRNF-HOTGVXAUSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000358588285 445663005 /nfs/dbraw/zinc/66/30/05/445663005.db2.gz GYVZTSJKWLDYBT-KRWDZBQOSA-N 2 1 341.544 1.386 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000358588285 445663007 /nfs/dbraw/zinc/66/30/07/445663007.db2.gz GYVZTSJKWLDYBT-KRWDZBQOSA-N 2 1 341.544 1.386 20 0 EDADMP C[NH+](C)C/C=C/C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000363059686 445664482 /nfs/dbraw/zinc/66/44/82/445664482.db2.gz JWQAURSEWORVFY-UXBLZVDNSA-N 2 1 344.459 1.521 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccccn2)CC1 ZINC000358630908 445685708 /nfs/dbraw/zinc/68/57/08/445685708.db2.gz BHHZFDAJHGJIEU-UHFFFAOYSA-N 2 1 345.491 1.807 20 0 EDADMP COCCn1cc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cn1 ZINC000363167093 445704323 /nfs/dbraw/zinc/70/43/23/445704323.db2.gz CSFLVFMBEVTSHA-BPQIPLTHSA-N 2 1 336.480 1.509 20 0 EDADMP COCCn1cc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cn1 ZINC000363167093 445704328 /nfs/dbraw/zinc/70/43/28/445704328.db2.gz CSFLVFMBEVTSHA-BPQIPLTHSA-N 2 1 336.480 1.509 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCc3c(ncn3C)C2)C1 ZINC000363179961 445710237 /nfs/dbraw/zinc/71/02/37/445710237.db2.gz UZIOXRLRXXKQNM-OAHLLOKOSA-N 2 1 333.480 2.000 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000349899635 445715852 /nfs/dbraw/zinc/71/58/52/445715852.db2.gz WLZBWPSBMLUEKR-IXDOHACOSA-N 2 1 325.497 1.819 20 0 EDADMP CSC1(CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC[NH+](C)CC1 ZINC000360691211 445722791 /nfs/dbraw/zinc/72/27/91/445722791.db2.gz HQFGOQWZFDLNHC-AWEZNQCLSA-N 2 1 328.526 1.549 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCOCC2)CC1)CC(C)C ZINC000358752635 445757679 /nfs/dbraw/zinc/75/76/79/445757679.db2.gz QFFOSWYYXXZPLF-UHFFFAOYSA-N 2 1 339.524 1.925 20 0 EDADMP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)nc2)CC1 ZINC000363316654 445763478 /nfs/dbraw/zinc/76/34/78/445763478.db2.gz NTJVYSXWWHFIKG-HZPDHXFCSA-N 2 1 343.475 1.646 20 0 EDADMP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000353808467 445765556 /nfs/dbraw/zinc/76/55/56/445765556.db2.gz RMELKQQKVXCVIP-DLBZAZTESA-N 2 1 333.480 1.089 20 0 EDADMP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000353808467 445765559 /nfs/dbraw/zinc/76/55/59/445765559.db2.gz RMELKQQKVXCVIP-DLBZAZTESA-N 2 1 333.480 1.089 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)c1csc(CC[NH3+])n1)[NH+](C)C ZINC000358865986 445819620 /nfs/dbraw/zinc/81/96/20/445819620.db2.gz OZJIGIDLIQCQIC-CQSZACIVSA-N 2 1 348.472 1.686 20 0 EDADMP Cc1csc(=O)n1CC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363478612 445821742 /nfs/dbraw/zinc/82/17/42/445821742.db2.gz BIYOYCCMCNZZRM-MRXNPFEDSA-N 2 1 338.521 1.319 20 0 EDADMP Cc1csc(=O)n1CC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363478612 445821746 /nfs/dbraw/zinc/82/17/46/445821746.db2.gz BIYOYCCMCNZZRM-MRXNPFEDSA-N 2 1 338.521 1.319 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)CC(C)C ZINC000353845096 445781231 /nfs/dbraw/zinc/78/12/31/445781231.db2.gz MWKASGNZSMYLFE-IRXDYDNUSA-N 2 1 326.529 1.495 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C[C@@H]1C ZINC000358832335 445798967 /nfs/dbraw/zinc/79/89/67/445798967.db2.gz SIDQGHGFVKWVQW-SOUVJXGZSA-N 2 1 340.512 1.020 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C[C@@H]1C ZINC000358832335 445798971 /nfs/dbraw/zinc/79/89/71/445798971.db2.gz SIDQGHGFVKWVQW-SOUVJXGZSA-N 2 1 340.512 1.020 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000356519910 445837330 /nfs/dbraw/zinc/83/73/30/445837330.db2.gz HIVFIFVGFZTFJI-HZPDHXFCSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000356519910 445837336 /nfs/dbraw/zinc/83/73/36/445837336.db2.gz HIVFIFVGFZTFJI-HZPDHXFCSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000356519910 445837339 /nfs/dbraw/zinc/83/73/39/445837339.db2.gz HIVFIFVGFZTFJI-HZPDHXFCSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000350750556 445897391 /nfs/dbraw/zinc/89/73/91/445897391.db2.gz ZETTVSRHNSEDIC-SJLPKXTDSA-N 2 1 336.524 1.203 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000350750556 445897394 /nfs/dbraw/zinc/89/73/94/445897394.db2.gz ZETTVSRHNSEDIC-SJLPKXTDSA-N 2 1 336.524 1.203 20 0 EDADMP CCN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000372908279 445915629 /nfs/dbraw/zinc/91/56/29/445915629.db2.gz SQOZZLMMHVMFGR-RYQLBKOJSA-N 2 1 331.460 1.659 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)CCOC)C[C@@H]1C ZINC000361752349 445917005 /nfs/dbraw/zinc/91/70/05/445917005.db2.gz WVYBTOSCGHTQGK-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+](C)CCOC)C[C@@H]1C ZINC000361752349 445917007 /nfs/dbraw/zinc/91/70/07/445917007.db2.gz WVYBTOSCGHTQGK-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+](C)CCOC)C[C@@H]1C ZINC000361752349 445917009 /nfs/dbraw/zinc/91/70/09/445917009.db2.gz WVYBTOSCGHTQGK-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CCC(CC)[C@@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000356750058 445986983 /nfs/dbraw/zinc/98/69/83/445986983.db2.gz ZIAPVZVQBBSYIR-WBVHZDCISA-N 2 1 327.513 1.968 20 0 EDADMP CCC(CC)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000356750058 445986985 /nfs/dbraw/zinc/98/69/85/445986985.db2.gz ZIAPVZVQBBSYIR-WBVHZDCISA-N 2 1 327.513 1.968 20 0 EDADMP CCn1cc(CC[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cn1 ZINC000351264675 446020905 /nfs/dbraw/zinc/02/09/05/446020905.db2.gz BDEYJAAGJWNIBG-ROUUACIJSA-N 2 1 333.524 1.936 20 0 EDADMP C[N@H+](C[C@@H](O)CN1CC[NH+](C/C=C\c2ccccc2)CC1)C1CC1 ZINC000351343840 446037079 /nfs/dbraw/zinc/03/70/79/446037079.db2.gz ULWPGEDHKDNKHL-DASIIQCKSA-N 2 1 329.488 1.773 20 0 EDADMP C[N@@H+](C[C@@H](O)CN1CC[NH+](C/C=C\c2ccccc2)CC1)C1CC1 ZINC000351343840 446037081 /nfs/dbraw/zinc/03/70/81/446037081.db2.gz ULWPGEDHKDNKHL-DASIIQCKSA-N 2 1 329.488 1.773 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000359214352 446043696 /nfs/dbraw/zinc/04/36/96/446043696.db2.gz AGXPPFSZEVQMJK-WBVHZDCISA-N 2 1 334.439 1.964 20 0 EDADMP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000583743520 326130608 /nfs/dbraw/zinc/13/06/08/326130608.db2.gz UPXBJQQIPWBLBS-DOTOQJQBSA-N 2 1 346.475 1.392 20 0 EDADMP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000583743520 326130610 /nfs/dbraw/zinc/13/06/10/326130610.db2.gz UPXBJQQIPWBLBS-DOTOQJQBSA-N 2 1 346.475 1.392 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351436811 446066019 /nfs/dbraw/zinc/06/60/19/446066019.db2.gz ARACIODCZFOYMZ-ZMSDIMECSA-N 2 1 325.497 1.458 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351436811 446066023 /nfs/dbraw/zinc/06/60/23/446066023.db2.gz ARACIODCZFOYMZ-ZMSDIMECSA-N 2 1 325.497 1.458 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351436811 446066026 /nfs/dbraw/zinc/06/60/26/446066026.db2.gz ARACIODCZFOYMZ-ZMSDIMECSA-N 2 1 325.497 1.458 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351436811 446066030 /nfs/dbraw/zinc/06/60/30/446066030.db2.gz ARACIODCZFOYMZ-ZMSDIMECSA-N 2 1 325.497 1.458 20 0 EDADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359236280 446067613 /nfs/dbraw/zinc/06/76/13/446067613.db2.gz ONXKLQNUQKZSTE-MRXNPFEDSA-N 2 1 331.464 1.392 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCCCOc3ccccc3F)C[C@H]12 ZINC000351481248 446082182 /nfs/dbraw/zinc/08/21/82/446082182.db2.gz WSXHYTFMMVZZCR-OFQRWUPVSA-N 2 1 335.423 1.380 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCCCOc3ccccc3F)C[C@H]12 ZINC000351481248 446082187 /nfs/dbraw/zinc/08/21/87/446082187.db2.gz WSXHYTFMMVZZCR-OFQRWUPVSA-N 2 1 335.423 1.380 20 0 EDADMP CCNC(=O)COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000373187817 446086137 /nfs/dbraw/zinc/08/61/37/446086137.db2.gz OYUUZHJHLQRUQV-ALOPSCKCSA-N 2 1 331.460 1.916 20 0 EDADMP CCNC(=O)COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000373187817 446086142 /nfs/dbraw/zinc/08/61/42/446086142.db2.gz OYUUZHJHLQRUQV-ALOPSCKCSA-N 2 1 331.460 1.916 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351498349 446103631 /nfs/dbraw/zinc/10/36/31/446103631.db2.gz VNEVGZXCLXEKKL-CXUUEIJPSA-N 2 1 337.414 1.681 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351498349 446103637 /nfs/dbraw/zinc/10/36/37/446103637.db2.gz VNEVGZXCLXEKKL-CXUUEIJPSA-N 2 1 337.414 1.681 20 0 EDADMP CCCOc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351502050 446107661 /nfs/dbraw/zinc/10/76/61/446107661.db2.gz YXMJAMAFAIAQDQ-CGTJXYLNSA-N 2 1 331.460 1.761 20 0 EDADMP CCCOc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351502050 446107669 /nfs/dbraw/zinc/10/76/69/446107669.db2.gz YXMJAMAFAIAQDQ-CGTJXYLNSA-N 2 1 331.460 1.761 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000366269992 446119124 /nfs/dbraw/zinc/11/91/24/446119124.db2.gz VRJWDWPJZBHGRX-AEFFLSMTSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC000356923697 446127855 /nfs/dbraw/zinc/12/78/55/446127855.db2.gz ZCPNUUMOVBIJTA-JKSUJKDBSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC000356923697 446127858 /nfs/dbraw/zinc/12/78/58/446127858.db2.gz ZCPNUUMOVBIJTA-JKSUJKDBSA-N 2 1 325.497 1.412 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2c3ccccc3CC[C@@H]2[NH+](C)C)C1 ZINC000369929768 446168523 /nfs/dbraw/zinc/16/85/23/446168523.db2.gz ZUCYQPYZQUERGZ-BZSNNMDCSA-N 2 1 331.460 1.441 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2c3ccccc3CC[C@@H]2[NH+](C)C)C1 ZINC000369929768 446168526 /nfs/dbraw/zinc/16/85/26/446168526.db2.gz ZUCYQPYZQUERGZ-BZSNNMDCSA-N 2 1 331.460 1.441 20 0 EDADMP CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000366378719 446181117 /nfs/dbraw/zinc/18/11/17/446181117.db2.gz SAKWSGQBIYPMSC-OIISXLGYSA-N 2 1 344.459 1.284 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)C[C@H]2C1 ZINC000351590799 446188178 /nfs/dbraw/zinc/18/81/78/446188178.db2.gz ZBEWYTRGTRJTOI-AAVRWANBSA-N 2 1 347.425 1.915 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C[NH2+]CC3CC3)[C@H](C)C2)s1 ZINC000366319542 446148183 /nfs/dbraw/zinc/14/81/83/446148183.db2.gz CDXRJCZSCNEMNU-MLGOLLRUSA-N 2 1 336.505 1.778 20 0 EDADMP CN(C(=O)[C@H]1C[C@H](O)C[NH2+]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000365331606 446152443 /nfs/dbraw/zinc/15/24/43/446152443.db2.gz PAYLKLRCVMKXDQ-JKHFOPOESA-N 2 1 343.471 1.363 20 0 EDADMP C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000366479345 446231405 /nfs/dbraw/zinc/23/14/05/446231405.db2.gz PYKAGTOUGAUILD-HNNXBMFYSA-N 2 1 329.510 1.361 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCCC[NH+]2CCC[C@H]2CO)C1 ZINC000365602821 446269891 /nfs/dbraw/zinc/26/98/91/446269891.db2.gz OXPDMJDRBNSQOD-YJBOKZPZSA-N 2 1 343.487 1.552 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000365602821 446269894 /nfs/dbraw/zinc/26/98/94/446269894.db2.gz OXPDMJDRBNSQOD-YJBOKZPZSA-N 2 1 343.487 1.552 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000365602821 446269897 /nfs/dbraw/zinc/26/98/97/446269897.db2.gz OXPDMJDRBNSQOD-YJBOKZPZSA-N 2 1 343.487 1.552 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000365684866 446300093 /nfs/dbraw/zinc/30/00/93/446300093.db2.gz DNGDUVRKGOOWJC-IIDMSEBBSA-N 2 1 343.487 1.503 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1C[C@@H](C)O ZINC000365684866 446300094 /nfs/dbraw/zinc/30/00/94/446300094.db2.gz DNGDUVRKGOOWJC-IIDMSEBBSA-N 2 1 343.487 1.503 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1C[C@@H](C)O ZINC000365684866 446300096 /nfs/dbraw/zinc/30/00/96/446300096.db2.gz DNGDUVRKGOOWJC-IIDMSEBBSA-N 2 1 343.487 1.503 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1C[C@@H](C)O ZINC000365684866 446300099 /nfs/dbraw/zinc/30/00/99/446300099.db2.gz DNGDUVRKGOOWJC-IIDMSEBBSA-N 2 1 343.487 1.503 20 0 EDADMP COC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000373688779 446303431 /nfs/dbraw/zinc/30/34/31/446303431.db2.gz WUZXGJWDCRLPRN-ROUUACIJSA-N 2 1 325.497 1.188 20 0 EDADMP C[C@@H](C(=O)N1CCC[NH+](CC(C)(C)O)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000366687356 446310717 /nfs/dbraw/zinc/31/07/17/446310717.db2.gz MZCACOUVYNCXCN-XHSDSOJGSA-N 2 1 325.497 1.553 20 0 EDADMP C[C@@H](C(=O)N1CCC[N@H+](CC(C)(C)O)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000366687356 446310723 /nfs/dbraw/zinc/31/07/23/446310723.db2.gz MZCACOUVYNCXCN-XHSDSOJGSA-N 2 1 325.497 1.553 20 0 EDADMP C[C@@H](C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000366687356 446310727 /nfs/dbraw/zinc/31/07/27/446310727.db2.gz MZCACOUVYNCXCN-XHSDSOJGSA-N 2 1 325.497 1.553 20 0 EDADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000362319349 446317427 /nfs/dbraw/zinc/31/74/27/446317427.db2.gz PIMUJZIXIUREJJ-IXDOHACOSA-N 2 1 325.497 1.628 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000366713980 446319924 /nfs/dbraw/zinc/31/99/24/446319924.db2.gz OEWSOSUNPVTSTM-GOSISDBHSA-N 2 1 333.476 1.686 20 0 EDADMP O=S1(=O)CC[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000366727552 446325110 /nfs/dbraw/zinc/32/51/10/446325110.db2.gz DPEATLAZHARPJL-ZFWWWQNUSA-N 2 1 331.441 1.954 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CCC[NH2+]C2)cc1F ZINC000417275300 446337578 /nfs/dbraw/zinc/33/75/78/446337578.db2.gz DRBWCTRSBVLQIP-AWEZNQCLSA-N 2 1 331.395 1.871 20 0 EDADMP CN1CCN(C(=O)CN2CCCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000376152198 446357151 /nfs/dbraw/zinc/35/71/51/446357151.db2.gz SWHJRUGDTDWUNV-HKUYNNGSSA-N 2 1 331.460 1.349 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@](C)(C[NH3+])C2)[C@H](C)C1 ZINC000417669653 446369444 /nfs/dbraw/zinc/36/94/44/446369444.db2.gz MNWDEDAHVGSRTR-SOLBZPMBSA-N 2 1 340.512 1.504 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH2+]C(C)(C)C2)[C@@H](C)C1 ZINC000417670594 446369894 /nfs/dbraw/zinc/36/98/94/446369894.db2.gz OJUKUQJRKAZFGC-HOTGVXAUSA-N 2 1 340.512 1.517 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1cccs1 ZINC000417731070 446371633 /nfs/dbraw/zinc/37/16/33/446371633.db2.gz FGTZJXVKQSBVSP-PNBKFKSVSA-N 2 1 348.516 1.992 20 0 EDADMP COCC[N@@H+](C)CCCN[C@@H]1CC[NH+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370669602 446379674 /nfs/dbraw/zinc/37/96/74/446379674.db2.gz NTRDDFRKZWUUPT-FGTMMUONSA-N 2 1 327.513 1.434 20 0 EDADMP COCC[NH+](C)CCCN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370669602 446379675 /nfs/dbraw/zinc/37/96/75/446379675.db2.gz NTRDDFRKZWUUPT-FGTMMUONSA-N 2 1 327.513 1.434 20 0 EDADMP COCC[NH+](C)CCCN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370669602 446379677 /nfs/dbraw/zinc/37/96/77/446379677.db2.gz NTRDDFRKZWUUPT-FGTMMUONSA-N 2 1 327.513 1.434 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000365887016 446388253 /nfs/dbraw/zinc/38/82/53/446388253.db2.gz SNPYXASVVMWVKN-YOEHRIQHSA-N 2 1 329.460 1.162 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)N(CC[NH3+])CCO)[C@H]1c1ccc(Cl)cc1 ZINC000417932255 446389814 /nfs/dbraw/zinc/38/98/14/446389814.db2.gz MCAAPWILUBCNQL-HUUCEWRRSA-N 2 1 340.855 1.048 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)N(CC[NH3+])CCO)[C@H]1c1ccc(Cl)cc1 ZINC000417932255 446389820 /nfs/dbraw/zinc/38/98/20/446389820.db2.gz MCAAPWILUBCNQL-HUUCEWRRSA-N 2 1 340.855 1.048 20 0 EDADMP C[N@@H+]1C[C@@H]2CN(C(=O)c3csc(C[NH3+])n3)C[C@H]2[C@@H]1c1ccccc1 ZINC000370776353 446434371 /nfs/dbraw/zinc/43/43/71/446434371.db2.gz ZTWSMURVXUWDAF-CPUCHLNUSA-N 2 1 342.468 1.977 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)c3csc(C[NH3+])n3)C[C@H]2[C@@H]1c1ccccc1 ZINC000370776353 446434374 /nfs/dbraw/zinc/43/43/74/446434374.db2.gz ZTWSMURVXUWDAF-CPUCHLNUSA-N 2 1 342.468 1.977 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366985533 446444280 /nfs/dbraw/zinc/44/42/80/446444280.db2.gz AJKUBXUTJWMWED-KURKYZTESA-N 2 1 329.444 1.098 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)C[NH3+])[C@@H]1c1ccccc1 ZINC000418183589 446451199 /nfs/dbraw/zinc/45/11/99/446451199.db2.gz OLZFALPWMMUYNR-PVAVHDDUSA-N 2 1 334.464 1.342 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)C[NH3+])[C@@H]1c1ccccc1 ZINC000418183589 446451201 /nfs/dbraw/zinc/45/12/01/446451201.db2.gz OLZFALPWMMUYNR-PVAVHDDUSA-N 2 1 334.464 1.342 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N3CCO[C@H]4CCCC[C@H]43)C2)CC1 ZINC000366907164 446406906 /nfs/dbraw/zinc/40/69/06/446406906.db2.gz AXDWNMJCRIFGJY-MSOLQXFVSA-N 2 1 349.519 1.964 20 0 EDADMP C[C@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417982870 446407143 /nfs/dbraw/zinc/40/71/43/446407143.db2.gz AVQYVABFDUUENJ-DSLXNQLJSA-N 2 1 342.487 1.758 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)N[C@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000417985275 446408409 /nfs/dbraw/zinc/40/84/09/446408409.db2.gz HAWHVVNFWDFQTK-OAUYIBNBSA-N 2 1 332.448 1.619 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000420298263 446462465 /nfs/dbraw/zinc/46/24/65/446462465.db2.gz ZTLZIKDJHRELNI-WMLDXEAASA-N 2 1 349.475 1.783 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000420298263 446462471 /nfs/dbraw/zinc/46/24/71/446462471.db2.gz ZTLZIKDJHRELNI-WMLDXEAASA-N 2 1 349.475 1.783 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000367017953 446465046 /nfs/dbraw/zinc/46/50/46/446465046.db2.gz UDKJABGKCJHFJG-UHFFFAOYSA-N 2 1 339.528 1.140 20 0 EDADMP CCC[NH+]1CCCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000367017953 446465050 /nfs/dbraw/zinc/46/50/50/446465050.db2.gz UDKJABGKCJHFJG-UHFFFAOYSA-N 2 1 339.528 1.140 20 0 EDADMP CCC[NH+]1CCCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000367017953 446465055 /nfs/dbraw/zinc/46/50/55/446465055.db2.gz UDKJABGKCJHFJG-UHFFFAOYSA-N 2 1 339.528 1.140 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1CCCCC1 ZINC000452781681 446468185 /nfs/dbraw/zinc/46/81/85/446468185.db2.gz JDEOPQYRIJONFR-SJORKVTESA-N 2 1 325.497 1.460 20 0 EDADMP CC(C)C(=O)N[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420307032 446470655 /nfs/dbraw/zinc/47/06/55/446470655.db2.gz QVUURSIYLRNLFP-SQNIBIBYSA-N 2 1 333.476 1.154 20 0 EDADMP CC(C)C(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420307032 446470657 /nfs/dbraw/zinc/47/06/57/446470657.db2.gz QVUURSIYLRNLFP-SQNIBIBYSA-N 2 1 333.476 1.154 20 0 EDADMP CC[C@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H](CC)CN1C(C)=O ZINC000420308481 446471533 /nfs/dbraw/zinc/47/15/33/446471533.db2.gz SHLQXDVOTZYFTH-MUGJNUQGSA-N 2 1 347.503 1.639 20 0 EDADMP CC[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H](CC)CN1C(C)=O ZINC000420308481 446471539 /nfs/dbraw/zinc/47/15/39/446471539.db2.gz SHLQXDVOTZYFTH-MUGJNUQGSA-N 2 1 347.503 1.639 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000420310970 446473724 /nfs/dbraw/zinc/47/37/24/446473724.db2.gz GKADFVCMZLOJSJ-CABCVRRESA-N 2 1 326.444 1.563 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000420310970 446473727 /nfs/dbraw/zinc/47/37/27/446473727.db2.gz GKADFVCMZLOJSJ-CABCVRRESA-N 2 1 326.444 1.563 20 0 EDADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423298328 446478436 /nfs/dbraw/zinc/47/84/36/446478436.db2.gz OBSZHTQWXBSHTQ-BBRMVZONSA-N 2 1 325.478 1.819 20 0 EDADMP COCC1(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH2+]CC1 ZINC000418289285 446486592 /nfs/dbraw/zinc/48/65/92/446486592.db2.gz JDVFERHHLOYIQO-OAHLLOKOSA-N 2 1 326.485 1.034 20 0 EDADMP Cc1ccsc1CNC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322401 446488076 /nfs/dbraw/zinc/48/80/76/446488076.db2.gz DZIAYJDZOHOPFD-AWEZNQCLSA-N 2 1 337.489 1.360 20 0 EDADMP Cc1ccsc1CNC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322401 446488082 /nfs/dbraw/zinc/48/80/82/446488082.db2.gz DZIAYJDZOHOPFD-AWEZNQCLSA-N 2 1 337.489 1.360 20 0 EDADMP CC[C@@H](CNC(=O)[C@]1(COC)CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000423326920 446489551 /nfs/dbraw/zinc/48/95/51/446489551.db2.gz MNVYITAVVRPXKW-AZUAARDMSA-N 2 1 345.487 1.566 20 0 EDADMP O=C(Cc1cccc(F)c1)N1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420323841 446489639 /nfs/dbraw/zinc/48/96/39/446489639.db2.gz UMIULVNJWNITJC-INIZCTEOSA-N 2 1 333.451 1.902 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000420324125 446489686 /nfs/dbraw/zinc/48/96/86/446489686.db2.gz ZFHSSCLOJXEWSU-SCLBCKFNSA-N 2 1 333.432 1.149 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000420324125 446489690 /nfs/dbraw/zinc/48/96/90/446489690.db2.gz ZFHSSCLOJXEWSU-SCLBCKFNSA-N 2 1 333.432 1.149 20 0 EDADMP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420325504 446491747 /nfs/dbraw/zinc/49/17/47/446491747.db2.gz IONHDIZWDFSJIL-IAGOWNOFSA-N 2 1 325.497 1.487 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCCC2)CC12CCOCC2 ZINC000420327211 446496035 /nfs/dbraw/zinc/49/60/35/446496035.db2.gz LASLEOJCCAKIBL-HNNXBMFYSA-N 2 1 335.492 1.607 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)c1 ZINC000418367410 446516667 /nfs/dbraw/zinc/51/66/67/446516667.db2.gz KJWOXVQXAVXITJ-SFHVURJKSA-N 2 1 330.476 1.964 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423370176 446505042 /nfs/dbraw/zinc/50/50/42/446505042.db2.gz UHPSMQNSIXQYMK-OAGGEKHMSA-N 2 1 347.507 1.737 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)NCC2CCCCC2)CC12CCOCC2 ZINC000420334987 446505156 /nfs/dbraw/zinc/50/51/56/446505156.db2.gz UQLCQCKESLSUSH-QGZVFWFLSA-N 2 1 337.508 1.760 20 0 EDADMP COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420337364 446508481 /nfs/dbraw/zinc/50/84/81/446508481.db2.gz NCTGEHUJDMGWEM-SOUVJXGZSA-N 2 1 347.459 1.962 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H]1Cc1ccccc1 ZINC000418363505 446514747 /nfs/dbraw/zinc/51/47/47/446514747.db2.gz FTKSMTDUVNEIFE-ROUUACIJSA-N 2 1 330.476 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H]1Cc1ccccc1 ZINC000418363505 446514754 /nfs/dbraw/zinc/51/47/54/446514754.db2.gz FTKSMTDUVNEIFE-ROUUACIJSA-N 2 1 330.476 1.697 20 0 EDADMP [NH3+][C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000418482930 446559170 /nfs/dbraw/zinc/55/91/70/446559170.db2.gz BKWVPIIUEVMBAR-KRWDZBQOSA-N 2 1 334.439 1.780 20 0 EDADMP [NH3+][C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000418482930 446559176 /nfs/dbraw/zinc/55/91/76/446559176.db2.gz BKWVPIIUEVMBAR-KRWDZBQOSA-N 2 1 334.439 1.780 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCCOCc3ccccc3)C2)nn1 ZINC000420389854 446564420 /nfs/dbraw/zinc/56/44/20/446564420.db2.gz YYZFZNKXFXIRRV-GOSISDBHSA-N 2 1 329.448 1.981 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000418370912 446517906 /nfs/dbraw/zinc/51/79/06/446517906.db2.gz PHLCYZYRIPMTRG-QGZVFWFLSA-N 2 1 334.439 1.795 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000418370912 446517912 /nfs/dbraw/zinc/51/79/12/446517912.db2.gz PHLCYZYRIPMTRG-QGZVFWFLSA-N 2 1 334.439 1.795 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N(Cc1ccccc1)C1CC1 ZINC000420350160 446527450 /nfs/dbraw/zinc/52/74/50/446527450.db2.gz RRHXJFFJGKSIFK-LJQANCHMSA-N 2 1 342.487 1.157 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]3C[NH3+])CC2)cn1 ZINC000418400578 446529509 /nfs/dbraw/zinc/52/95/09/446529509.db2.gz FXFGRDMGFFOFOA-IRXDYDNUSA-N 2 1 348.495 1.248 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]3C[NH3+])CC2)cn1 ZINC000418400578 446529518 /nfs/dbraw/zinc/52/95/18/446529518.db2.gz FXFGRDMGFFOFOA-IRXDYDNUSA-N 2 1 348.495 1.248 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423426657 446530654 /nfs/dbraw/zinc/53/06/54/446530654.db2.gz NFDRSTJCKUPFLB-SRHPJPHMSA-N 2 1 343.515 1.847 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423426657 446530657 /nfs/dbraw/zinc/53/06/57/446530657.db2.gz NFDRSTJCKUPFLB-SRHPJPHMSA-N 3 1 343.515 1.847 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423426657 446530661 /nfs/dbraw/zinc/53/06/61/446530661.db2.gz NFDRSTJCKUPFLB-SRHPJPHMSA-N 3 1 343.515 1.847 20 0 EDADMP CC[C@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000423432516 446534289 /nfs/dbraw/zinc/53/42/89/446534289.db2.gz ONCDKYCFCCCPAW-ROUUACIJSA-N 2 1 345.487 1.911 20 0 EDADMP CC[C@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000423432516 446534294 /nfs/dbraw/zinc/53/42/94/446534294.db2.gz ONCDKYCFCCCPAW-ROUUACIJSA-N 2 1 345.487 1.911 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418419146 446539012 /nfs/dbraw/zinc/53/90/12/446539012.db2.gz ZAGCSHSCCXKZPP-IAGOWNOFSA-N 3 1 341.544 1.417 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@@H](O)C[NH3+] ZINC000420359792 446540056 /nfs/dbraw/zinc/54/00/56/446540056.db2.gz WCVQAIVLSMSGFU-LBPRGKRZSA-N 2 1 330.226 1.029 20 0 EDADMP Cn1c(CC[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)nc2ccccc21 ZINC000420392216 446567684 /nfs/dbraw/zinc/56/76/84/446567684.db2.gz UYTLZXKXLMBTBM-QAPCUYQASA-N 2 1 340.471 1.816 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)NC(=O)NCc1ccccc1 ZINC000420375441 446551984 /nfs/dbraw/zinc/55/19/84/446551984.db2.gz SXUMYQCQIVSXCY-CPUCHLNUSA-N 2 1 332.448 1.379 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418609738 446614271 /nfs/dbraw/zinc/61/42/71/446614271.db2.gz SRBOLCDNQZTBMC-YESZJQIVSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)NCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000418507794 446572085 /nfs/dbraw/zinc/57/20/85/446572085.db2.gz JPXUYVIRUOSPJY-IYBDPMFKSA-N 2 1 340.512 1.646 20 0 EDADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000420403830 446576296 /nfs/dbraw/zinc/57/62/96/446576296.db2.gz RVAMKFHSPQEOGX-ZJPYXAASSA-N 2 1 335.492 1.620 20 0 EDADMP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000420403830 446576305 /nfs/dbraw/zinc/57/63/05/446576305.db2.gz RVAMKFHSPQEOGX-ZJPYXAASSA-N 2 1 335.492 1.620 20 0 EDADMP CCN(C(=O)NC[C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418521288 446580108 /nfs/dbraw/zinc/58/01/08/446580108.db2.gz IGUYYTPPXCYPRG-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC1=CC[NH2+]CC1 ZINC000418541366 446586634 /nfs/dbraw/zinc/58/66/34/446586634.db2.gz QGQPCRGSJBCNBA-INIZCTEOSA-N 2 1 328.460 1.822 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC1=CC[NH2+]CC1 ZINC000418541366 446586640 /nfs/dbraw/zinc/58/66/40/446586640.db2.gz QGQPCRGSJBCNBA-INIZCTEOSA-N 2 1 328.460 1.822 20 0 EDADMP C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C ZINC000433871522 446603007 /nfs/dbraw/zinc/60/30/07/446603007.db2.gz XADMZFMXHARBJY-UKRRQHHQSA-N 2 1 325.478 1.509 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418587861 446603458 /nfs/dbraw/zinc/60/34/58/446603458.db2.gz RITOQPNCEXPJQN-ZIFCJYIRSA-N 2 1 346.475 1.193 20 0 EDADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000418658140 446637016 /nfs/dbraw/zinc/63/70/16/446637016.db2.gz JCSBGXCWBJRSDI-CENPHQPOSA-N 2 1 334.508 1.746 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418666754 446641701 /nfs/dbraw/zinc/64/17/01/446641701.db2.gz GOQIECFHPKPURE-QGZVFWFLSA-N 2 1 334.464 1.440 20 0 EDADMP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC[NH+]2CCC1CC2 ZINC000375211761 446646514 /nfs/dbraw/zinc/64/65/14/446646514.db2.gz QUTZBJKWCXVFHA-DLBZAZTESA-N 2 1 336.480 1.119 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C[C@H]1C ZINC000418683282 446647682 /nfs/dbraw/zinc/64/76/82/446647682.db2.gz WVUIPWAUTHDSNW-SJLPKXTDSA-N 2 1 348.491 1.829 20 0 EDADMP COCC[N@H+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C[C@H]1C ZINC000418683282 446647687 /nfs/dbraw/zinc/64/76/87/446647687.db2.gz WVUIPWAUTHDSNW-SJLPKXTDSA-N 2 1 348.491 1.829 20 0 EDADMP C[C@@H](CCCC[NH3+])NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000418698571 446652907 /nfs/dbraw/zinc/65/29/07/446652907.db2.gz ODDWENKPMKTZFX-IRXDYDNUSA-N 2 1 339.528 1.315 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H](CC[NH3+])C(F)F)CC[N@H+]1CCOC ZINC000418732760 446659730 /nfs/dbraw/zinc/65/97/30/446659730.db2.gz JYRJAXMFVZSTTC-QWHCGFSZSA-N 2 1 336.427 1.111 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000423734515 446668618 /nfs/dbraw/zinc/66/86/18/446668618.db2.gz WAHJZEBDXTVNPZ-QXSJWSMHSA-N 2 1 345.491 1.964 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000423734515 446668626 /nfs/dbraw/zinc/66/86/26/446668626.db2.gz WAHJZEBDXTVNPZ-QXSJWSMHSA-N 2 1 345.491 1.964 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000423734515 446668634 /nfs/dbraw/zinc/66/86/34/446668634.db2.gz WAHJZEBDXTVNPZ-QXSJWSMHSA-N 2 1 345.491 1.964 20 0 EDADMP C[C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000368148138 446669973 /nfs/dbraw/zinc/66/99/73/446669973.db2.gz JRIRIPJGKWVGMI-CRAIPNDOSA-N 2 1 342.503 1.199 20 0 EDADMP C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000368148138 446669982 /nfs/dbraw/zinc/66/99/82/446669982.db2.gz JRIRIPJGKWVGMI-CRAIPNDOSA-N 2 1 342.503 1.199 20 0 EDADMP C[C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000368148138 446669987 /nfs/dbraw/zinc/66/99/87/446669987.db2.gz JRIRIPJGKWVGMI-CRAIPNDOSA-N 2 1 342.503 1.199 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418629625 446621668 /nfs/dbraw/zinc/62/16/68/446621668.db2.gz DKRNNVNDISVUPV-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)CC1 ZINC000368060673 446624411 /nfs/dbraw/zinc/62/44/11/446624411.db2.gz VFHBNHDDBAEJNH-RTBURBONSA-N 2 1 338.540 1.198 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)Cc3cc[nH]n3)CC2)CC1 ZINC000371095751 446627032 /nfs/dbraw/zinc/62/70/32/446627032.db2.gz XJEQFNHURACXME-UHFFFAOYSA-N 2 1 333.480 1.265 20 0 EDADMP CN(C(=O)NC[C@H]1[NH2+]CCc2ccccc21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000418645833 446630711 /nfs/dbraw/zinc/63/07/11/446630711.db2.gz WPBDSUVFXLZTEH-SJLPKXTDSA-N 2 1 328.460 1.752 20 0 EDADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)NC(=O)NCC(F)(F)F ZINC000411853917 446698945 /nfs/dbraw/zinc/69/89/45/446698945.db2.gz AGAGMYWULUQMJX-UHFFFAOYSA-N 2 1 338.374 1.229 20 0 EDADMP C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435627375 446704116 /nfs/dbraw/zinc/70/41/16/446704116.db2.gz RBENMHRJAXWJNH-QGZVFWFLSA-N 2 1 345.491 1.194 20 0 EDADMP [NH3+]C1(C(=O)N2CC[NH+](CCc3ccccc3)CC2)Cc2ccccc2C1 ZINC000376792098 446721291 /nfs/dbraw/zinc/72/12/91/446721291.db2.gz SDXKAYBRVUZDFX-UHFFFAOYSA-N 2 1 349.478 1.870 20 0 EDADMP CC[NH+](CC)CCCN1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375335867 446729063 /nfs/dbraw/zinc/72/90/63/446729063.db2.gz GOHFXNIYHOAIFY-UHFFFAOYSA-N 2 1 326.529 1.058 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1COCCN1CC1CCC1 ZINC000376811524 446733855 /nfs/dbraw/zinc/73/38/55/446733855.db2.gz JUOQKRRFETWWTH-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)cn1 ZINC000423748204 446678821 /nfs/dbraw/zinc/67/88/21/446678821.db2.gz ARHPTZFKXSJRIT-GOSISDBHSA-N 2 1 341.459 1.197 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)cn1 ZINC000423748204 446678828 /nfs/dbraw/zinc/67/88/28/446678828.db2.gz ARHPTZFKXSJRIT-GOSISDBHSA-N 2 1 341.459 1.197 20 0 EDADMP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000418758969 446679056 /nfs/dbraw/zinc/67/90/56/446679056.db2.gz KAJIKGBQDWDEOW-AEGPPILISA-N 2 1 342.434 1.642 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C[C@@H]1C ZINC000423900065 446751811 /nfs/dbraw/zinc/75/18/11/446751811.db2.gz RFHPUQRDJDFUKP-XHSDSOJGSA-N 2 1 339.480 1.380 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C[C@@H]1C ZINC000423900065 446751817 /nfs/dbraw/zinc/75/18/17/446751817.db2.gz RFHPUQRDJDFUKP-XHSDSOJGSA-N 2 1 339.480 1.380 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1(C)C ZINC000423903623 446754593 /nfs/dbraw/zinc/75/45/93/446754593.db2.gz NFKTVBRMDYCTPD-MCNSXXNHSA-N 2 1 349.519 1.994 20 0 EDADMP CCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000418873703 446765524 /nfs/dbraw/zinc/76/55/24/446765524.db2.gz YJKBNYGEVFNJFT-HNNXBMFYSA-N 2 1 340.512 1.119 20 0 EDADMP [NH3+]CC1(C(=O)NC[C@@H]2CCC[N@H+]2CCc2ccccc2)CCOCC1 ZINC000375398901 446773897 /nfs/dbraw/zinc/77/38/97/446773897.db2.gz BAMIRNYCIJSCKB-SFHVURJKSA-N 2 1 345.487 1.565 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C(N)=O)cs3)C2)CC1 ZINC000371332361 446782741 /nfs/dbraw/zinc/78/27/41/446782741.db2.gz OSQZAODVZYUOAQ-OAHLLOKOSA-N 2 1 336.505 1.447 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C(N)=O)cs3)C2)CC1 ZINC000371332361 446782745 /nfs/dbraw/zinc/78/27/45/446782745.db2.gz OSQZAODVZYUOAQ-OAHLLOKOSA-N 2 1 336.505 1.447 20 0 EDADMP C[C@H](c1cccnc1)N1C(=O)C[C@@H](N2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000368323358 446786112 /nfs/dbraw/zinc/78/61/12/446786112.db2.gz YRMJVWNPEUBSHS-OGWOLHLISA-N 2 1 342.443 1.298 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000424001915 446818511 /nfs/dbraw/zinc/81/85/11/446818511.db2.gz NTLZRNVTJXPGIL-IAGOWNOFSA-N 2 1 342.447 1.203 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000368448760 446868449 /nfs/dbraw/zinc/86/84/49/446868449.db2.gz DWRYWTUQHLSQGZ-SFHVURJKSA-N 2 1 347.459 1.567 20 0 EDADMP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000419022991 446870955 /nfs/dbraw/zinc/87/09/55/446870955.db2.gz CSLCSPDHYKUIHU-WBVHZDCISA-N 2 1 346.475 1.054 20 0 EDADMP Cc1cccc(NC2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)[nH+]1 ZINC000368452489 446871283 /nfs/dbraw/zinc/87/12/83/446871283.db2.gz BZVCWKHEYDOGAC-QGZVFWFLSA-N 2 1 349.475 1.823 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000419047009 446884116 /nfs/dbraw/zinc/88/41/16/446884116.db2.gz RALMZAKPAXBFOI-HYVNUMGLSA-N 2 1 346.475 1.038 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000419080381 446911009 /nfs/dbraw/zinc/91/10/09/446911009.db2.gz PEAOUIRCXUKSFI-HZPDHXFCSA-N 2 1 340.512 1.199 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000371522671 446911567 /nfs/dbraw/zinc/91/15/67/446911567.db2.gz CSHXRMSSKKSVJB-UHFFFAOYSA-N 2 1 349.479 1.270 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000419105931 446926402 /nfs/dbraw/zinc/92/64/02/446926402.db2.gz IZQUJNVGPRBKGD-HNNXBMFYSA-N 2 1 348.491 1.257 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000375634263 446940280 /nfs/dbraw/zinc/94/02/80/446940280.db2.gz HIRRKARDPHQBKY-ZQOJQMTGSA-N 2 1 335.492 1.382 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000419132023 446941904 /nfs/dbraw/zinc/94/19/04/446941904.db2.gz DHONJXZQYDDHPY-HNNXBMFYSA-N 2 1 340.512 1.104 20 0 EDADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCCN(S(C)(=O)=O)C1)CC2 ZINC000371694219 446949253 /nfs/dbraw/zinc/94/92/53/446949253.db2.gz SQXZBXDOORYUBW-HNNXBMFYSA-N 2 1 329.510 1.218 20 0 EDADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCCN(S(C)(=O)=O)C1)CC2 ZINC000371694219 446949260 /nfs/dbraw/zinc/94/92/60/446949260.db2.gz SQXZBXDOORYUBW-HNNXBMFYSA-N 2 1 329.510 1.218 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442761907 446955558 /nfs/dbraw/zinc/95/55/58/446955558.db2.gz DGPSGJOIOWPKSK-PMPSAXMXSA-N 2 1 348.466 1.532 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442761901 446955807 /nfs/dbraw/zinc/95/58/07/446955807.db2.gz DGPSGJOIOWPKSK-BZUAXINKSA-N 2 1 348.466 1.532 20 0 EDADMP CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CC(=O)NC4CC[NH+](C(C)C)CC4)[C@H]1[C@H]3C2 ZINC000375741152 447014732 /nfs/dbraw/zinc/01/47/32/447014732.db2.gz CNZPTGATTULWON-NZMUHZMNSA-N 2 1 335.492 1.331 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000413126570 447019082 /nfs/dbraw/zinc/01/90/82/447019082.db2.gz HWQCSSWWBOZWKW-MAUKXSAKSA-N 2 1 330.476 1.827 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000413126570 447019086 /nfs/dbraw/zinc/01/90/86/447019086.db2.gz HWQCSSWWBOZWKW-MAUKXSAKSA-N 2 1 330.476 1.827 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000413126570 447019091 /nfs/dbraw/zinc/01/90/91/447019091.db2.gz HWQCSSWWBOZWKW-MAUKXSAKSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)[NH+]1CCSCC1 ZINC000372159177 447019638 /nfs/dbraw/zinc/01/96/38/447019638.db2.gz YGPRUYIHMZBFBQ-CABCVRRESA-N 2 1 325.522 1.899 20 0 EDADMP C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)[NH+]1CCSCC1 ZINC000372159177 447019647 /nfs/dbraw/zinc/01/96/47/447019647.db2.gz YGPRUYIHMZBFBQ-CABCVRRESA-N 2 1 325.522 1.899 20 0 EDADMP COc1ccnc(NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000371883562 446972526 /nfs/dbraw/zinc/97/25/26/446972526.db2.gz JPTWDAFWDDHNOV-UHFFFAOYSA-N 2 1 333.480 2.093 20 0 EDADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000419179613 446994304 /nfs/dbraw/zinc/99/43/04/446994304.db2.gz IRHCFOAJXOHTTB-INIZCTEOSA-N 2 1 338.496 1.016 20 0 EDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1COC(=O)N1CCOCC1 ZINC000375801909 447063019 /nfs/dbraw/zinc/06/30/19/447063019.db2.gz OVFBPJONNQCJBH-DLBZAZTESA-N 2 1 339.480 1.794 20 0 EDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1COC(=O)N1CCOCC1 ZINC000375801909 447063028 /nfs/dbraw/zinc/06/30/28/447063028.db2.gz OVFBPJONNQCJBH-DLBZAZTESA-N 2 1 339.480 1.794 20 0 EDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCOCC1 ZINC000375801909 447063035 /nfs/dbraw/zinc/06/30/35/447063035.db2.gz OVFBPJONNQCJBH-DLBZAZTESA-N 2 1 339.480 1.794 20 0 EDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1COC(=O)N1CCOCC1 ZINC000375801909 447063043 /nfs/dbraw/zinc/06/30/43/447063043.db2.gz OVFBPJONNQCJBH-DLBZAZTESA-N 2 1 339.480 1.794 20 0 EDADMP C[N@@H+](C[C@H](O)COc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375829254 447086221 /nfs/dbraw/zinc/08/62/21/447086221.db2.gz FSRUGZJDPYIOFK-MOPGFXCFSA-N 2 1 347.503 1.527 20 0 EDADMP CCOC(=O)CCCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908010 447138881 /nfs/dbraw/zinc/13/88/81/447138881.db2.gz UOERXOOSOWJVQB-QGZVFWFLSA-N 2 1 325.497 1.820 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000419412638 447159804 /nfs/dbraw/zinc/15/98/04/447159804.db2.gz RBXFDQJEFQAJJR-OAHLLOKOSA-N 2 1 340.512 1.247 20 0 EDADMP CCOCC[C@H](O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000375942332 447165268 /nfs/dbraw/zinc/16/52/68/447165268.db2.gz PEYATOSIKFHEGP-JZXOWHBKSA-N 2 1 328.497 1.595 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419444109 447180275 /nfs/dbraw/zinc/18/02/75/447180275.db2.gz SQEIBTBOVSWDDD-ARFHVFGLSA-N 2 1 328.501 1.059 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000419474568 447206624 /nfs/dbraw/zinc/20/66/24/447206624.db2.gz CJTTWRVUONROCW-PMPSAXMXSA-N 2 1 338.496 1.001 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000425633293 447248992 /nfs/dbraw/zinc/24/89/92/447248992.db2.gz ATDUHEGOWCUAAY-ZWKOTPCHSA-N 2 1 330.476 1.984 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000425559313 447230746 /nfs/dbraw/zinc/23/07/46/447230746.db2.gz GPGKWVJREYZKAU-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376048751 447235011 /nfs/dbraw/zinc/23/50/11/447235011.db2.gz UENOBLJUENFFOO-HNNXBMFYSA-N 2 1 348.495 1.955 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455862486 447244439 /nfs/dbraw/zinc/24/44/39/447244439.db2.gz RULPQVIIQZAEEY-RDTXWAMCSA-N 2 1 346.475 1.766 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455862486 447244445 /nfs/dbraw/zinc/24/44/45/447244445.db2.gz RULPQVIIQZAEEY-RDTXWAMCSA-N 2 1 346.475 1.766 20 0 EDADMP Cc1c([C@@H](C)[NH2+]CCOCC[NH+](C)C)nnn1-c1ccc(F)cc1 ZINC000447596638 447280426 /nfs/dbraw/zinc/28/04/26/447280426.db2.gz QPEGEBZCDAKWSC-CYBMUJFWSA-N 2 1 335.427 1.944 20 0 EDADMP O[C@@H](CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000382408029 447462748 /nfs/dbraw/zinc/46/27/48/447462748.db2.gz BZAJOJMVENLKFH-UXHICEINSA-N 2 1 331.504 1.945 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)[C@@H](C)c3ccccc3)C2)CC1 ZINC000450388771 447474432 /nfs/dbraw/zinc/47/44/32/447474432.db2.gz JNTDBYXWVLVKOO-SXLOBPIMSA-N 2 1 331.504 1.863 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CCCn1cc(Br)cn1)C1CC1 ZINC000394039873 447534637 /nfs/dbraw/zinc/53/46/37/447534637.db2.gz OOSWNHPESVQLQU-CYBMUJFWSA-N 2 1 331.258 1.080 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CCCn1cc(Br)cn1)C1CC1 ZINC000394039873 447534643 /nfs/dbraw/zinc/53/46/43/447534643.db2.gz OOSWNHPESVQLQU-CYBMUJFWSA-N 2 1 331.258 1.080 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416206662 447536870 /nfs/dbraw/zinc/53/68/70/447536870.db2.gz BFNRVBZFBNUICG-VQIMIIECSA-N 2 1 347.503 1.983 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000416209808 447538644 /nfs/dbraw/zinc/53/86/44/447538644.db2.gz MSXFKWPHMLQLPR-BQFCYCMXSA-N 2 1 333.476 1.593 20 0 EDADMP C[C@@H]1C[NH+](Cc2cc(Cl)cc(C[N@H+]3C[C@H](C)[C@H](O)C3)c2)C[C@@H]1O ZINC000450645260 447545927 /nfs/dbraw/zinc/54/59/27/447545927.db2.gz GZDNRYSBHVOGAH-VUWOVVPOSA-N 2 1 338.879 1.965 20 0 EDADMP O=C(CC[NH+]1CCc2ccccc2C1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000416245373 447546957 /nfs/dbraw/zinc/54/69/57/447546957.db2.gz YAZTUSKQXRMKDU-LJQANCHMSA-N 2 1 345.487 1.398 20 0 EDADMP O=C(CC[N@@H+]1CCc2ccccc2C1)NC[C@H]1CCCC[NH+]1CCO ZINC000416245373 447546965 /nfs/dbraw/zinc/54/69/65/447546965.db2.gz YAZTUSKQXRMKDU-LJQANCHMSA-N 2 1 345.487 1.398 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)NC[C@H]1CCCC[NH+]1CCO ZINC000416245373 447546970 /nfs/dbraw/zinc/54/69/70/447546970.db2.gz YAZTUSKQXRMKDU-LJQANCHMSA-N 2 1 345.487 1.398 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427156242 447554548 /nfs/dbraw/zinc/55/45/48/447554548.db2.gz XIUFALCFSYKNJW-ROUUACIJSA-N 2 1 335.492 1.717 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000398192198 447556222 /nfs/dbraw/zinc/55/62/22/447556222.db2.gz ZULCNDDGHVFCLA-DOTOQJQBSA-N 2 1 331.460 1.392 20 0 EDADMP C[NH+](C)CCN1CCC(NC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000457636017 447605356 /nfs/dbraw/zinc/60/53/56/447605356.db2.gz JQSNWFGZWGACPR-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000457636017 447605365 /nfs/dbraw/zinc/60/53/65/447605365.db2.gz JQSNWFGZWGACPR-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000457636017 447605372 /nfs/dbraw/zinc/60/53/72/447605372.db2.gz JQSNWFGZWGACPR-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000420135993 447627114 /nfs/dbraw/zinc/62/71/14/447627114.db2.gz CRIUIJRYERIVBO-HUUCEWRRSA-N 2 1 349.479 1.243 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000420143090 447632307 /nfs/dbraw/zinc/63/23/07/447632307.db2.gz ZYYWWLYECPBZFN-AWEZNQCLSA-N 2 1 334.464 1.169 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000416914447 447707431 /nfs/dbraw/zinc/70/74/31/447707431.db2.gz FQCJHCLQJVFHOW-RBSFLKMASA-N 2 1 340.512 1.643 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000422631542 447679074 /nfs/dbraw/zinc/67/90/74/447679074.db2.gz FQHIASKKAIVRJJ-INMHGKMJSA-N 2 1 333.476 1.959 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000422631542 447679078 /nfs/dbraw/zinc/67/90/78/447679078.db2.gz FQHIASKKAIVRJJ-INMHGKMJSA-N 2 1 333.476 1.959 20 0 EDADMP COc1cc2[nH+]c(N3CCC[C@H](CC[NH3+])C3)nc(N)c2cc1OC ZINC000420240929 447683607 /nfs/dbraw/zinc/68/36/07/447683607.db2.gz LEWLARBKQWIXKG-LLVKDONJSA-N 2 1 331.420 1.794 20 0 EDADMP [NH3+]CCCN(CC1CCCC1)C(=O)NCCC[NH+]1CCOCC1 ZINC000416805723 447688381 /nfs/dbraw/zinc/68/83/81/447688381.db2.gz YIGXEMKRXWBBIA-UHFFFAOYSA-N 2 1 326.485 1.259 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000459569063 447709981 /nfs/dbraw/zinc/70/99/81/447709981.db2.gz XMSLVRWYFQHWGA-GOSISDBHSA-N 2 1 339.480 1.204 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000459569063 447709989 /nfs/dbraw/zinc/70/99/89/447709989.db2.gz XMSLVRWYFQHWGA-GOSISDBHSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416953189 447725260 /nfs/dbraw/zinc/72/52/60/447725260.db2.gz TXBODGNUWGHKAP-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)c1 ZINC000458146753 447727740 /nfs/dbraw/zinc/72/77/40/447727740.db2.gz NVEGQJIIGSQWNG-ZWKOTPCHSA-N 2 1 330.476 1.984 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000458146753 447727745 /nfs/dbraw/zinc/72/77/45/447727745.db2.gz NVEGQJIIGSQWNG-ZWKOTPCHSA-N 2 1 330.476 1.984 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000458146753 447727751 /nfs/dbraw/zinc/72/77/51/447727751.db2.gz NVEGQJIIGSQWNG-ZWKOTPCHSA-N 2 1 330.476 1.984 20 0 EDADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422834100 447764881 /nfs/dbraw/zinc/76/48/81/447764881.db2.gz NHZPLPGPJNUNHI-CGTJXYLNSA-N 2 1 328.460 1.968 20 0 EDADMP c1ccc2c(c1)CC[N@@H+](CCCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C2 ZINC000422811951 447757070 /nfs/dbraw/zinc/75/70/70/447757070.db2.gz VNFQJRUMNQCNEN-UXHICEINSA-N 2 1 329.488 1.791 20 0 EDADMP c1ccc2c(c1)CC[N@H+](CCCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C2 ZINC000422811951 447757073 /nfs/dbraw/zinc/75/70/73/447757073.db2.gz VNFQJRUMNQCNEN-UXHICEINSA-N 2 1 329.488 1.791 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000458289124 447762334 /nfs/dbraw/zinc/76/23/34/447762334.db2.gz LTBYFPBZEDEBOG-HNNXBMFYSA-N 2 1 339.528 1.184 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000458289124 447762339 /nfs/dbraw/zinc/76/23/39/447762339.db2.gz LTBYFPBZEDEBOG-HNNXBMFYSA-N 2 1 339.528 1.184 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000458289124 447762345 /nfs/dbraw/zinc/76/23/45/447762345.db2.gz LTBYFPBZEDEBOG-HNNXBMFYSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000416921191 447709893 /nfs/dbraw/zinc/70/98/93/447709893.db2.gz NAPUITQSMXHNCB-QLFBSQMISA-N 2 1 326.485 1.397 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000416921191 447709897 /nfs/dbraw/zinc/70/98/97/447709897.db2.gz NAPUITQSMXHNCB-QLFBSQMISA-N 2 1 326.485 1.397 20 0 EDADMP NC(=O)NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471853165 447815299 /nfs/dbraw/zinc/81/52/99/447815299.db2.gz YZCJHZKIFSEGMA-HOTGVXAUSA-N 2 1 332.448 1.244 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1OC ZINC000430563626 447780058 /nfs/dbraw/zinc/78/00/58/447780058.db2.gz JNSYKYKHFVMUEF-LSDHHAIUSA-N 2 1 349.475 1.721 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1OC ZINC000430563626 447780063 /nfs/dbraw/zinc/78/00/63/447780063.db2.gz JNSYKYKHFVMUEF-LSDHHAIUSA-N 2 1 349.475 1.721 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000422973950 447785567 /nfs/dbraw/zinc/78/55/67/447785567.db2.gz CZNUMNMQQNYHPV-FHWLQOOXSA-N 3 1 335.492 1.213 20 0 EDADMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000422973950 447785570 /nfs/dbraw/zinc/78/55/70/447785570.db2.gz CZNUMNMQQNYHPV-FHWLQOOXSA-N 3 1 335.492 1.213 20 0 EDADMP COc1ccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000422985431 447787615 /nfs/dbraw/zinc/78/76/15/447787615.db2.gz DSNNHGXJUQXGPK-QRVBRYPASA-N 2 1 334.460 1.959 20 0 EDADMP CC(=O)N1CC([NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000575429835 447859820 /nfs/dbraw/zinc/85/98/20/447859820.db2.gz DRKFIQBMHNJYRM-QGZVFWFLSA-N 2 1 329.444 1.795 20 0 EDADMP CC(C)(C)OC(=O)NC1CC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000496578977 447825394 /nfs/dbraw/zinc/82/53/94/447825394.db2.gz XKZXIHURILTUOM-GPANFISMSA-N 2 1 341.496 1.869 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000522999116 447867659 /nfs/dbraw/zinc/86/76/59/447867659.db2.gz VJMFBOZZQORLQQ-GDBMZVCRSA-N 2 1 336.480 1.023 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000496761531 447890286 /nfs/dbraw/zinc/89/02/86/447890286.db2.gz WWUQMRHXKGHEBQ-HUUCEWRRSA-N 2 1 341.496 1.819 20 0 EDADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2 ZINC000530539714 447909922 /nfs/dbraw/zinc/90/99/22/447909922.db2.gz SBRYBLIFAOXHPF-OAHLLOKOSA-N 2 1 349.523 1.590 20 0 EDADMP CN(C[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C(=O)OC(C)(C)C ZINC000496847340 447964789 /nfs/dbraw/zinc/96/47/89/447964789.db2.gz OFUIBIOVSTXRNQ-LSDHHAIUSA-N 2 1 329.485 1.536 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531049462 448007369 /nfs/dbraw/zinc/00/73/69/448007369.db2.gz FUVQHNJAMWKIKN-IBGZPJMESA-N 2 1 333.476 1.470 20 0 EDADMP CC(C)[NH+](C)CCCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531049462 448007371 /nfs/dbraw/zinc/00/73/71/448007371.db2.gz FUVQHNJAMWKIKN-IBGZPJMESA-N 2 1 333.476 1.470 20 0 EDADMP CC(C)[NH+](C)CCCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531049462 448007375 /nfs/dbraw/zinc/00/73/75/448007375.db2.gz FUVQHNJAMWKIKN-IBGZPJMESA-N 2 1 333.476 1.470 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000553006847 447967099 /nfs/dbraw/zinc/96/70/99/447967099.db2.gz WGRBTAVLCZLWFR-UHFFFAOYSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@H]1C[C@@H]([N@@H+](C)CCOCCNC(=O)OC(C)(C)C)CCN1C ZINC000497216974 447970312 /nfs/dbraw/zinc/97/03/12/447970312.db2.gz YHIHZENSBCKRBR-GJZGRUSLSA-N 2 1 329.485 1.942 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)CCOCCNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000497216974 447970318 /nfs/dbraw/zinc/97/03/18/447970318.db2.gz YHIHZENSBCKRBR-GJZGRUSLSA-N 2 1 329.485 1.942 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)CCOCCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497216974 447970326 /nfs/dbraw/zinc/97/03/26/447970326.db2.gz YHIHZENSBCKRBR-GJZGRUSLSA-N 2 1 329.485 1.942 20 0 EDADMP C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000525994468 448073709 /nfs/dbraw/zinc/07/37/09/448073709.db2.gz OLLZSQSILMBQQH-ZIAGYGMSSA-N 2 1 330.432 1.777 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC000531402375 448078298 /nfs/dbraw/zinc/07/82/98/448078298.db2.gz NIUNGNSFQIKCIU-DOTOQJQBSA-N 2 1 335.496 1.398 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)C[C@H]21 ZINC000576582887 448089670 /nfs/dbraw/zinc/08/96/70/448089670.db2.gz MDDLHJJMZXMSGL-FCGDIQPGSA-N 2 1 342.487 1.879 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)[NH+](C)C1 ZINC000501768962 448097198 /nfs/dbraw/zinc/09/71/98/448097198.db2.gz FZPUZFPTSQCTQE-VGWMRTNUSA-N 2 1 326.485 1.076 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)[N@H+](C)C1 ZINC000501768962 448097205 /nfs/dbraw/zinc/09/72/05/448097205.db2.gz FZPUZFPTSQCTQE-VGWMRTNUSA-N 2 1 326.485 1.076 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)[N@@H+](C)C1 ZINC000501768962 448097209 /nfs/dbraw/zinc/09/72/09/448097209.db2.gz FZPUZFPTSQCTQE-VGWMRTNUSA-N 2 1 326.485 1.076 20 0 EDADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000571065614 448104421 /nfs/dbraw/zinc/10/44/21/448104421.db2.gz LODWJKBEIJEUDD-PBHICJAKSA-N 2 1 348.495 1.553 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCn3cccn3)CC2)CC1 ZINC000576765862 448134978 /nfs/dbraw/zinc/13/49/78/448134978.db2.gz LTFBLWQEIQNKTM-UHFFFAOYSA-N 2 1 333.480 1.196 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\C1CCOCC1 ZINC000491882837 448142607 /nfs/dbraw/zinc/14/26/07/448142607.db2.gz KOQFVRMUHRKREN-ZEVQVBBLSA-N 2 1 337.508 1.844 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000531964814 448176547 /nfs/dbraw/zinc/17/65/47/448176547.db2.gz OXAKAPLAKPMGDI-HNJNHCNJSA-N 2 1 330.432 1.171 20 0 EDADMP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000571679573 448189583 /nfs/dbraw/zinc/18/95/83/448189583.db2.gz NGBVGIMDJBHYFS-GJZGRUSLSA-N 2 1 338.402 1.407 20 0 EDADMP Cc1cccnc1/C=C\C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000492623764 448239659 /nfs/dbraw/zinc/23/96/59/448239659.db2.gz LXVFUOPBVNYQFB-FPLPWBNLSA-N 2 1 330.476 1.888 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000515029498 448243626 /nfs/dbraw/zinc/24/36/26/448243626.db2.gz SHAOSARWCVLADS-HZPDHXFCSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000515029498 448243629 /nfs/dbraw/zinc/24/36/29/448243629.db2.gz SHAOSARWCVLADS-HZPDHXFCSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000515485790 448319604 /nfs/dbraw/zinc/31/96/04/448319604.db2.gz ADTYVIGOCXMOLY-MAUKXSAKSA-N 2 1 330.476 1.761 20 0 EDADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000591272371 448303121 /nfs/dbraw/zinc/30/31/21/448303121.db2.gz CALRFIHJUPSFHZ-HOTGVXAUSA-N 2 1 339.480 1.239 20 0 EDADMP Cc1ccc(NCCC[NH2+]C[C@H](O)COc2ccccc2F)[nH+]c1 ZINC000564792840 448340235 /nfs/dbraw/zinc/34/02/35/448340235.db2.gz DEJLCOHKHFBKTI-HNNXBMFYSA-N 2 1 333.407 2.361 20 0 EDADMP O=C([C@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2)N1CCSCC1 ZINC000515659545 448340562 /nfs/dbraw/zinc/34/05/62/448340562.db2.gz NVPUZQZFMMURSK-GOSISDBHSA-N 2 1 345.512 1.872 20 0 EDADMP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)C1 ZINC000582847627 448358756 /nfs/dbraw/zinc/35/87/56/448358756.db2.gz ZFHDJVUQVFWWTG-GUDVDZBRSA-N 2 1 345.487 1.562 20 0 EDADMP Cc1cc(CNC(=O)NCC[C@H]2CC[NH2+]C2)cc(N2CCCC2)[nH+]1 ZINC000582775268 448335443 /nfs/dbraw/zinc/33/54/43/448335443.db2.gz WPXINTBWPAGOKD-OAHLLOKOSA-N 2 1 331.464 1.789 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000533194193 448371143 /nfs/dbraw/zinc/37/11/43/448371143.db2.gz PYNNGCSNHFVKDK-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP CC[N@H+]1CCCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000533194193 448371147 /nfs/dbraw/zinc/37/11/47/448371147.db2.gz PYNNGCSNHFVKDK-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CO)CC(F)F)CC2)CC1 ZINC000577766993 448383744 /nfs/dbraw/zinc/38/37/44/448383744.db2.gz OWEPTGDZZNREIR-CQSZACIVSA-N 2 1 347.450 1.315 20 0 EDADMP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000572486885 448392404 /nfs/dbraw/zinc/39/24/04/448392404.db2.gz OMJQNMCCBRDXCR-DZGCQCFKSA-N 2 1 343.431 1.880 20 0 EDADMP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000572486885 448392411 /nfs/dbraw/zinc/39/24/11/448392411.db2.gz OMJQNMCCBRDXCR-DZGCQCFKSA-N 2 1 343.431 1.880 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000572500106 448395888 /nfs/dbraw/zinc/39/58/88/448395888.db2.gz CPMHFIHRYDJJPC-LJQANCHMSA-N 2 1 348.491 1.311 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H](OC)C3)CC2)CC1 ZINC000516326818 448413675 /nfs/dbraw/zinc/41/36/75/448413675.db2.gz BDFJIAWEDDUHNA-SFHVURJKSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[C@@H]1CN(CCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000583084286 448420270 /nfs/dbraw/zinc/42/02/70/448420270.db2.gz JZVYHZQGVLZHBF-HXUWFJFHSA-N 2 1 330.520 1.878 20 0 EDADMP CCC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000583084286 448420275 /nfs/dbraw/zinc/42/02/75/448420275.db2.gz JZVYHZQGVLZHBF-HXUWFJFHSA-N 2 1 330.520 1.878 20 0 EDADMP CCC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000583084286 448420280 /nfs/dbraw/zinc/42/02/80/448420280.db2.gz JZVYHZQGVLZHBF-HXUWFJFHSA-N 2 1 330.520 1.878 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N[C@@H]1CCn2ccnc2C1 ZINC000527861820 448376995 /nfs/dbraw/zinc/37/69/95/448376995.db2.gz DESSZCVVSOYMFX-GDBMZVCRSA-N 2 1 331.464 1.904 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](O)[C@H]3C)CC2)CC1 ZINC000582914486 448379669 /nfs/dbraw/zinc/37/96/69/448379669.db2.gz GUXIFRUMDAWGGW-CRAIPNDOSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000583084777 448420711 /nfs/dbraw/zinc/42/07/11/448420711.db2.gz OXUXQJWMHPJAQH-ZENOOKHLSA-N 2 1 347.463 1.384 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000583084777 448420720 /nfs/dbraw/zinc/42/07/20/448420720.db2.gz OXUXQJWMHPJAQH-ZENOOKHLSA-N 2 1 347.463 1.384 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000577956728 448425593 /nfs/dbraw/zinc/42/55/93/448425593.db2.gz MRESKTKXFPWCCC-IAGOWNOFSA-N 2 1 330.476 1.944 20 0 EDADMP [NH3+]C1CCC(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000566617791 448521425 /nfs/dbraw/zinc/52/14/25/448521425.db2.gz UJCIFXYUPSVIEO-UHFFFAOYSA-N 2 1 331.460 1.617 20 0 EDADMP O[C@H](CN[C@@H]1c2ccccc2C[C@@H]1O)C[N@@H+]1CCc2ccccc2C1 ZINC000517236027 448560008 /nfs/dbraw/zinc/56/00/08/448560008.db2.gz GPKIFHLDVJJWTI-HLAWJBBLSA-N 2 1 338.451 1.654 20 0 EDADMP O[C@H](CN[C@@H]1c2ccccc2C[C@@H]1O)C[N@H+]1CCc2ccccc2C1 ZINC000517236027 448560010 /nfs/dbraw/zinc/56/00/10/448560010.db2.gz GPKIFHLDVJJWTI-HLAWJBBLSA-N 2 1 338.451 1.654 20 0 EDADMP CC[NH+]1CCC(N(C)C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000537583509 448562793 /nfs/dbraw/zinc/56/27/93/448562793.db2.gz VJGXXIWYFBKCTK-UHFFFAOYSA-N 2 1 344.463 1.591 20 0 EDADMP C[N@@H+](C[C@H](O)CNCc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000517129682 448540932 /nfs/dbraw/zinc/54/09/32/448540932.db2.gz JDONABAGGUYWPJ-GOSISDBHSA-N 2 1 347.503 1.704 20 0 EDADMP CN(C[C@H](O)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000517129682 448540937 /nfs/dbraw/zinc/54/09/37/448540937.db2.gz JDONABAGGUYWPJ-GOSISDBHSA-N 2 1 347.503 1.704 20 0 EDADMP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000517142081 448542409 /nfs/dbraw/zinc/54/24/09/448542409.db2.gz IDYDMYRGCODPMN-ZWKOTPCHSA-N 2 1 330.476 1.061 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C3CC3)C3COC3)CC2)CC1 ZINC000578548094 448578439 /nfs/dbraw/zinc/57/84/39/448578439.db2.gz LLKREMMBKJTZIS-UHFFFAOYSA-N 2 1 335.492 1.573 20 0 EDADMP O=C(NCCC[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000517800546 448621060 /nfs/dbraw/zinc/62/10/60/448621060.db2.gz YOMRDVWAXYKSMR-SFHVURJKSA-N 2 1 330.476 1.896 20 0 EDADMP C[C@H](CNC(=O)NC(C)(C)CN1CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000566960712 448591214 /nfs/dbraw/zinc/59/12/14/448591214.db2.gz UODOTEXHTQPYJC-JKSUJKDBSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@@H+]1C ZINC000538921860 448603186 /nfs/dbraw/zinc/60/31/86/448603186.db2.gz CHLVOEXIBMPYCU-SOLBZPMBSA-N 2 1 330.476 1.845 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC[NH+]1C ZINC000538921860 448603190 /nfs/dbraw/zinc/60/31/90/448603190.db2.gz CHLVOEXIBMPYCU-SOLBZPMBSA-N 2 1 330.476 1.845 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[NH+]1C ZINC000538921860 448603192 /nfs/dbraw/zinc/60/31/92/448603192.db2.gz CHLVOEXIBMPYCU-SOLBZPMBSA-N 2 1 330.476 1.845 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)CC(=O)OC)CC2)CC1 ZINC000578880141 448660872 /nfs/dbraw/zinc/66/08/72/448660872.db2.gz GMMHBLFQWYJEPX-AWEZNQCLSA-N 2 1 339.480 1.251 20 0 EDADMP O=C1N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1CC1CC[NH2+]CC1 ZINC000567164585 448627633 /nfs/dbraw/zinc/62/76/33/448627633.db2.gz OXRZGROJNPBEKS-IBGZPJMESA-N 2 1 342.443 1.183 20 0 EDADMP Cn1cc(C[C@H]2CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)cn1 ZINC000584783083 448631484 /nfs/dbraw/zinc/63/14/84/448631484.db2.gz LKRIFNRFCAMFFZ-NEWSRXKRSA-N 2 1 328.460 1.215 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000578988576 448687825 /nfs/dbraw/zinc/68/78/25/448687825.db2.gz OADYHFYLYWCIQD-CABCVRRESA-N 2 1 340.512 1.199 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000528866889 448699404 /nfs/dbraw/zinc/69/94/04/448699404.db2.gz YMFJQAYUPRCPSU-MSOLQXFVSA-N 2 1 342.443 1.191 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000528866889 448699407 /nfs/dbraw/zinc/69/94/07/448699407.db2.gz YMFJQAYUPRCPSU-MSOLQXFVSA-N 2 1 342.443 1.191 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000573962362 448757511 /nfs/dbraw/zinc/75/75/11/448757511.db2.gz DGGQPVXWQVLMJJ-FUHWJXTLSA-N 2 1 338.540 1.674 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000567779403 448760076 /nfs/dbraw/zinc/76/00/76/448760076.db2.gz PYQLUTCFVFVLBY-SFHVURJKSA-N 2 1 342.487 1.762 20 0 EDADMP Cc1nccc(NCc2cccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)c2)n1 ZINC000544522042 448760482 /nfs/dbraw/zinc/76/04/82/448760482.db2.gz FANHSSVDJUURCV-INIZCTEOSA-N 2 1 339.443 2.079 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000579493377 448810282 /nfs/dbraw/zinc/81/02/82/448810282.db2.gz HIMPUOASKWDCNS-RTBURBONSA-N 2 1 345.487 1.472 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579493377 448810285 /nfs/dbraw/zinc/81/02/85/448810285.db2.gz HIMPUOASKWDCNS-RTBURBONSA-N 2 1 345.487 1.472 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579493377 448810289 /nfs/dbraw/zinc/81/02/89/448810289.db2.gz HIMPUOASKWDCNS-RTBURBONSA-N 2 1 345.487 1.472 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000519649757 448812182 /nfs/dbraw/zinc/81/21/82/448812182.db2.gz PNMHXKCCYWGWPY-XUVXKRRUSA-N 2 1 347.503 1.132 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000519649757 448812185 /nfs/dbraw/zinc/81/21/85/448812185.db2.gz PNMHXKCCYWGWPY-XUVXKRRUSA-N 2 1 347.503 1.132 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000519649757 448812192 /nfs/dbraw/zinc/81/21/92/448812192.db2.gz PNMHXKCCYWGWPY-XUVXKRRUSA-N 2 1 347.503 1.132 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000574142078 448799273 /nfs/dbraw/zinc/79/92/73/448799273.db2.gz YOOQJGMKOBDPNF-QBPKDAKJSA-N 2 1 338.496 1.031 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000519711839 448825782 /nfs/dbraw/zinc/82/57/82/448825782.db2.gz UIFINCWZRBXDRE-GOSISDBHSA-N 2 1 327.432 1.379 20 0 EDADMP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000529373923 448847926 /nfs/dbraw/zinc/84/79/26/448847926.db2.gz KNURLZAQPRARRN-QGZVFWFLSA-N 2 1 338.496 1.272 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000520235116 448876114 /nfs/dbraw/zinc/87/61/14/448876114.db2.gz QHALRHBFQVQVDP-MSOLQXFVSA-N 2 1 330.476 1.313 20 0 EDADMP [NH3+]C1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000574548698 448900816 /nfs/dbraw/zinc/90/08/16/448900816.db2.gz XZAZZSFMFJXBFR-QGZVFWFLSA-N 2 1 330.476 1.684 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)N1CC[NH+](C)CC1 ZINC000574570947 448905578 /nfs/dbraw/zinc/90/55/78/448905578.db2.gz XRJIOOSVLUERTR-YQVWRLOYSA-N 2 1 336.524 1.154 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000521204292 448961749 /nfs/dbraw/zinc/96/17/49/448961749.db2.gz FTOCGBAYXMDQQR-RDJZCZTQSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000521204292 448961752 /nfs/dbraw/zinc/96/17/52/448961752.db2.gz FTOCGBAYXMDQQR-RDJZCZTQSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000521204292 448961755 /nfs/dbraw/zinc/96/17/55/448961755.db2.gz FTOCGBAYXMDQQR-RDJZCZTQSA-N 2 1 338.496 1.149 20 0 EDADMP COc1coc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1=O ZINC000521384384 448977413 /nfs/dbraw/zinc/97/74/13/448977413.db2.gz MZAZVEKCRYDJHG-UHFFFAOYSA-N 2 1 336.432 1.583 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)CCN2C1=O ZINC000521646624 449007035 /nfs/dbraw/zinc/00/70/35/449007035.db2.gz WEEBQANKXFFEOK-TZMCWYRMSA-N 2 1 343.349 1.372 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)CCN2C1=O ZINC000521646624 449007038 /nfs/dbraw/zinc/00/70/38/449007038.db2.gz WEEBQANKXFFEOK-TZMCWYRMSA-N 2 1 343.349 1.372 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)COCc1ccc(Cl)cc1 ZINC000582122493 449018294 /nfs/dbraw/zinc/01/82/94/449018294.db2.gz PZMJIGQLULSWHS-IAGOWNOFSA-N 2 1 342.867 1.264 20 0 EDADMP C(C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1)N1CC[NH2+]CC1 ZINC000521875878 449022371 /nfs/dbraw/zinc/02/23/71/449022371.db2.gz CWEVAMOXHHVBNW-VQIMIIECSA-N 2 1 345.491 1.281 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592958516 449081764 /nfs/dbraw/zinc/08/17/64/449081764.db2.gz ZVEORKAOAJGQTO-OWCLPIDISA-N 2 1 347.507 1.817 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)CC1 ZINC000569589663 449051797 /nfs/dbraw/zinc/05/17/97/449051797.db2.gz PNSDOHOCMFVKMS-IAGOWNOFSA-N 2 1 330.476 1.732 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)N2CC[C@@H](c3cc(C)ccn3)C2)CC1 ZINC000569589663 449051799 /nfs/dbraw/zinc/05/17/99/449051799.db2.gz PNSDOHOCMFVKMS-IAGOWNOFSA-N 2 1 330.476 1.732 20 0 EDADMP CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000522223278 449065611 /nfs/dbraw/zinc/06/56/11/449065611.db2.gz ZQAGUBOTZBHLJV-QGZVFWFLSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000575409208 449095228 /nfs/dbraw/zinc/09/52/28/449095228.db2.gz DWTLMPKGSYHZDI-AOIWGVFYSA-N 2 1 344.503 1.701 20 0 EDADMP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736197 449170463 /nfs/dbraw/zinc/17/04/63/449170463.db2.gz JNCSPCUZRTYBQV-XSWJXKHESA-N 2 1 336.480 1.452 20 0 EDADMP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736197 449170467 /nfs/dbraw/zinc/17/04/67/449170467.db2.gz JNCSPCUZRTYBQV-XSWJXKHESA-N 2 1 336.480 1.452 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604631393 449266527 /nfs/dbraw/zinc/26/65/27/449266527.db2.gz GGPNYYZVTLDWDV-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[NH+]4CCCC[C@@H]34)CC2)C1 ZINC000604641097 449267993 /nfs/dbraw/zinc/26/79/93/449267993.db2.gz CDISHYKQKWRDAQ-KSZLIROESA-N 2 1 349.523 1.035 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)C1 ZINC000604641097 449267998 /nfs/dbraw/zinc/26/79/98/449267998.db2.gz CDISHYKQKWRDAQ-KSZLIROESA-N 2 1 349.523 1.035 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)C1 ZINC000604641097 449268003 /nfs/dbraw/zinc/26/80/03/449268003.db2.gz CDISHYKQKWRDAQ-KSZLIROESA-N 2 1 349.523 1.035 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604646181 449269345 /nfs/dbraw/zinc/26/93/45/449269345.db2.gz CTATUEYDEOZAJY-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000605425577 449381340 /nfs/dbraw/zinc/38/13/40/449381340.db2.gz CWJUONYRLXETEL-PXNSSMCTSA-N 2 1 343.471 1.224 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000605425577 449381345 /nfs/dbraw/zinc/38/13/45/449381345.db2.gz CWJUONYRLXETEL-PXNSSMCTSA-N 2 1 343.471 1.224 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000605425577 449381350 /nfs/dbraw/zinc/38/13/50/449381350.db2.gz CWJUONYRLXETEL-PXNSSMCTSA-N 2 1 343.471 1.224 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000607385030 449607149 /nfs/dbraw/zinc/60/71/49/449607149.db2.gz FBIFQPVBRQSPSR-MOPGFXCFSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000607385030 449607153 /nfs/dbraw/zinc/60/71/53/449607153.db2.gz FBIFQPVBRQSPSR-MOPGFXCFSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000617505451 449652967 /nfs/dbraw/zinc/65/29/67/449652967.db2.gz CTYNOYKXTGXWRB-SUMWQHHRSA-N 2 1 337.439 1.517 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000617505451 449652972 /nfs/dbraw/zinc/65/29/72/449652972.db2.gz CTYNOYKXTGXWRB-SUMWQHHRSA-N 2 1 337.439 1.517 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000602533978 449656139 /nfs/dbraw/zinc/65/61/39/449656139.db2.gz YJLBPVYDIBSKQC-MRXNPFEDSA-N 2 1 344.459 1.355 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000602533978 449656145 /nfs/dbraw/zinc/65/61/45/449656145.db2.gz YJLBPVYDIBSKQC-MRXNPFEDSA-N 2 1 344.459 1.355 20 0 EDADMP CCC[C@H]1C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000617506804 449656264 /nfs/dbraw/zinc/65/62/64/449656264.db2.gz ZOYKVTOVGKSWKJ-ULQDDVLXSA-N 2 1 327.513 1.970 20 0 EDADMP CCC[C@H]1C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000617506804 449656269 /nfs/dbraw/zinc/65/62/69/449656269.db2.gz ZOYKVTOVGKSWKJ-ULQDDVLXSA-N 2 1 327.513 1.970 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC000617507565 449659160 /nfs/dbraw/zinc/65/91/60/449659160.db2.gz AAZMAEWZWKUGTB-LBPRGKRZSA-N 2 1 333.436 1.270 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC000617507565 449659166 /nfs/dbraw/zinc/65/91/66/449659166.db2.gz AAZMAEWZWKUGTB-LBPRGKRZSA-N 2 1 333.436 1.270 20 0 EDADMP CSC1(CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC[NH+](C)CC1 ZINC000599064028 449715661 /nfs/dbraw/zinc/71/56/61/449715661.db2.gz BBTAWGJCNUKAHA-HNNXBMFYSA-N 2 1 342.553 1.845 20 0 EDADMP CC(C)[NH2+]C1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000601229875 449762694 /nfs/dbraw/zinc/76/26/94/449762694.db2.gz AILYGVRYBJMJIE-UHFFFAOYSA-N 2 1 339.528 1.184 20 0 EDADMP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000594917290 449805853 /nfs/dbraw/zinc/80/58/53/449805853.db2.gz IVAPDWUAVMEVFS-JCGIZDLHSA-N 2 1 332.444 1.806 20 0 EDADMP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000594942082 449814723 /nfs/dbraw/zinc/81/47/23/449814723.db2.gz WIBRMWNJKFJNJP-UHOFOFEASA-N 2 1 332.448 1.849 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000594957802 449820431 /nfs/dbraw/zinc/82/04/31/449820431.db2.gz ILAYMEODDAJHQW-UXLLHSPISA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000594957802 449820439 /nfs/dbraw/zinc/82/04/39/449820439.db2.gz ILAYMEODDAJHQW-UXLLHSPISA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000594957802 449820444 /nfs/dbraw/zinc/82/04/44/449820444.db2.gz ILAYMEODDAJHQW-UXLLHSPISA-N 2 1 338.496 1.269 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000601325885 449833292 /nfs/dbraw/zinc/83/32/92/449833292.db2.gz HBYQZOFMVASZPJ-HEHGZKQESA-N 2 1 333.432 1.005 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000601325885 449833295 /nfs/dbraw/zinc/83/32/95/449833295.db2.gz HBYQZOFMVASZPJ-HEHGZKQESA-N 2 1 333.432 1.005 20 0 EDADMP COC(=O)[C@]1(C)CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602844656 449851309 /nfs/dbraw/zinc/85/13/09/449851309.db2.gz DYBNYPWIHYAPHW-UXHICEINSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)[C@]1(C)CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602844656 449851313 /nfs/dbraw/zinc/85/13/13/449851313.db2.gz DYBNYPWIHYAPHW-UXHICEINSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)[C@]1(C)CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602844656 449851319 /nfs/dbraw/zinc/85/13/19/449851319.db2.gz DYBNYPWIHYAPHW-UXHICEINSA-N 2 1 346.471 1.899 20 0 EDADMP COC(=O)[C@]1(C)CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602844656 449851322 /nfs/dbraw/zinc/85/13/22/449851322.db2.gz DYBNYPWIHYAPHW-UXHICEINSA-N 2 1 346.471 1.899 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612892222 449930912 /nfs/dbraw/zinc/93/09/12/449930912.db2.gz JVZFSNHZCXKADJ-SUMDDJOVSA-N 2 1 330.476 1.948 20 0 EDADMP COC(=O)[C@@]1(C)C[C@@H](OC)C[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000602945857 449947354 /nfs/dbraw/zinc/94/73/54/449947354.db2.gz RXHBGQSZRQYLDC-SJLPKXTDSA-N 2 1 341.496 1.055 20 0 EDADMP COC(=O)[C@@]1(C)C[C@@H](OC)C[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000602945857 449947356 /nfs/dbraw/zinc/94/73/56/449947356.db2.gz RXHBGQSZRQYLDC-SJLPKXTDSA-N 2 1 341.496 1.055 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@@]3(C)CC[NH2+]C3)c2)CCO1 ZINC000612873208 449920004 /nfs/dbraw/zinc/92/00/04/449920004.db2.gz ZIJITMQVDMLOFP-BEFAXECRSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@@]3(C)CC[NH2+]C3)c2)CCO1 ZINC000612873208 449920010 /nfs/dbraw/zinc/92/00/10/449920010.db2.gz ZIJITMQVDMLOFP-BEFAXECRSA-N 2 1 346.475 1.459 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000617976323 449958875 /nfs/dbraw/zinc/95/88/75/449958875.db2.gz WEYXMYGBDFISPZ-GOSISDBHSA-N 2 1 330.476 1.894 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612970872 449964049 /nfs/dbraw/zinc/96/40/49/449964049.db2.gz MAUVEIZQEPRNFS-OAHLLOKOSA-N 2 1 334.489 1.548 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612970872 449964053 /nfs/dbraw/zinc/96/40/53/449964053.db2.gz MAUVEIZQEPRNFS-OAHLLOKOSA-N 2 1 334.489 1.548 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612974049 449966147 /nfs/dbraw/zinc/96/61/47/449966147.db2.gz CHLYTRISVRVNDJ-HNNXBMFYSA-N 2 1 338.496 1.128 20 0 EDADMP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000618190201 450044783 /nfs/dbraw/zinc/04/47/83/450044783.db2.gz KTXIRLIRGHKUGE-IBGZPJMESA-N 2 1 329.488 1.961 20 0 EDADMP CCOC(=O)CCCCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000609799613 450097442 /nfs/dbraw/zinc/09/74/42/450097442.db2.gz VNJWMGMDGYOVIQ-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000623618247 450552452 /nfs/dbraw/zinc/55/24/52/450552452.db2.gz JYDMJOBIURHVTP-QRQLOZEOSA-N 2 1 344.503 1.751 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000623618247 450552454 /nfs/dbraw/zinc/55/24/54/450552454.db2.gz JYDMJOBIURHVTP-QRQLOZEOSA-N 2 1 344.503 1.751 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623618247 450552455 /nfs/dbraw/zinc/55/24/55/450552455.db2.gz JYDMJOBIURHVTP-QRQLOZEOSA-N 2 1 344.503 1.751 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623618247 450552457 /nfs/dbraw/zinc/55/24/57/450552457.db2.gz JYDMJOBIURHVTP-QRQLOZEOSA-N 2 1 344.503 1.751 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cn1 ZINC000632999014 450599628 /nfs/dbraw/zinc/59/96/28/450599628.db2.gz LKIXTENAXBKCJS-UHFFFAOYSA-N 2 1 341.459 1.401 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[NH2+][C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000621153886 450602199 /nfs/dbraw/zinc/60/21/99/450602199.db2.gz AWNSVIZDGHFSJM-IAGOWNOFSA-N 2 1 325.497 1.580 20 0 EDADMP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000635057375 450612531 /nfs/dbraw/zinc/61/25/31/450612531.db2.gz UWPYZGARTCZAEM-ICSRJNTNSA-N 2 1 343.471 1.299 20 0 EDADMP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000635057375 450612536 /nfs/dbraw/zinc/61/25/36/450612536.db2.gz UWPYZGARTCZAEM-ICSRJNTNSA-N 2 1 343.471 1.299 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)c2C1 ZINC000633037133 450633247 /nfs/dbraw/zinc/63/32/47/450633247.db2.gz KWFDDBFGLQQVTG-OCCSQVGLSA-N 2 1 330.432 1.299 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)c2C1 ZINC000633037133 450633251 /nfs/dbraw/zinc/63/32/51/450633251.db2.gz KWFDDBFGLQQVTG-OCCSQVGLSA-N 2 1 330.432 1.299 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1noc(Cc2ccc(F)cc2)n1 ZINC000621334985 450689344 /nfs/dbraw/zinc/68/93/44/450689344.db2.gz YHNOPWWFWMSPCQ-AWEZNQCLSA-N 2 1 349.454 2.483 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1noc(Cc2ccc(F)cc2)n1 ZINC000621334985 450689351 /nfs/dbraw/zinc/68/93/51/450689351.db2.gz YHNOPWWFWMSPCQ-AWEZNQCLSA-N 2 1 349.454 2.483 20 0 EDADMP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1nc(-c2ccccc2)no1 ZINC000629573567 450742397 /nfs/dbraw/zinc/74/23/97/450742397.db2.gz FTOBKSVKDKUUGV-GOEBONIOSA-N 2 1 330.432 1.886 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CCOc1ccccc1Br ZINC000629572018 450743014 /nfs/dbraw/zinc/74/30/14/450743014.db2.gz MCMBAIWUWRDSHP-UHFFFAOYSA-N 2 1 331.254 1.996 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CCC(=O)Nc1cccc(Br)c1 ZINC000629577412 450744988 /nfs/dbraw/zinc/74/49/88/450744988.db2.gz HRSOEPFFBNLZAT-UHFFFAOYSA-N 2 1 344.253 1.685 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)[C@@H]2CCC[C@@H]21 ZINC000624263108 450769992 /nfs/dbraw/zinc/76/99/92/450769992.db2.gz BERLZNJOISCHDG-FYQPLNBISA-N 2 1 344.503 1.745 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3conc3C)CC2)CC1 ZINC000633278050 450770792 /nfs/dbraw/zinc/77/07/92/450770792.db2.gz APWZQTPXFRZNKA-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP CC[C@H](C(=O)N1CCC([N@H+]2CCCOCC2)CC1)[NH+](CC)CC ZINC000627739799 450909832 /nfs/dbraw/zinc/90/98/32/450909832.db2.gz RDYAIHZYJOGKFP-QGZVFWFLSA-N 2 1 325.497 1.820 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000635408778 450915010 /nfs/dbraw/zinc/91/50/10/450915010.db2.gz OQBBIKKFYLFTKK-NVXWUHKLSA-N 2 1 344.459 1.417 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000635408778 450915015 /nfs/dbraw/zinc/91/50/15/450915015.db2.gz OQBBIKKFYLFTKK-NVXWUHKLSA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000635408778 450915019 /nfs/dbraw/zinc/91/50/19/450915019.db2.gz OQBBIKKFYLFTKK-NVXWUHKLSA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000635408778 450915024 /nfs/dbraw/zinc/91/50/24/450915024.db2.gz OQBBIKKFYLFTKK-NVXWUHKLSA-N 2 1 344.459 1.417 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](C)C1 ZINC000629961292 450918936 /nfs/dbraw/zinc/91/89/36/450918936.db2.gz KTCLRWMGWULISV-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC000629961292 450918944 /nfs/dbraw/zinc/91/89/44/450918944.db2.gz KTCLRWMGWULISV-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC000629961292 450918946 /nfs/dbraw/zinc/91/89/46/450918946.db2.gz KTCLRWMGWULISV-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC000629961295 450919634 /nfs/dbraw/zinc/91/96/34/450919634.db2.gz KTCLRWMGWULISV-WBVHZDCISA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC000629961295 450919639 /nfs/dbraw/zinc/91/96/39/450919639.db2.gz KTCLRWMGWULISV-WBVHZDCISA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC000629961295 450919645 /nfs/dbraw/zinc/91/96/45/450919645.db2.gz KTCLRWMGWULISV-WBVHZDCISA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000626935104 451017551 /nfs/dbraw/zinc/01/75/51/451017551.db2.gz XLNWZCFLESHECW-AMBYYYRHSA-N 2 1 336.524 1.995 20 0 EDADMP C[NH2+]CCOCCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000626952344 451031168 /nfs/dbraw/zinc/03/11/68/451031168.db2.gz BAZGMYVSGBSKLG-SFHVURJKSA-N 2 1 348.491 1.434 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000626965076 451037851 /nfs/dbraw/zinc/03/78/51/451037851.db2.gz QGHYCGYXDBMQRL-QGZVFWFLSA-N 2 1 338.496 1.271 20 0 EDADMP CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CCC[NH+](C)C ZINC000632105607 451039609 /nfs/dbraw/zinc/03/96/09/451039609.db2.gz VBTZTNMOEISHCJ-KRWDZBQOSA-N 2 1 339.505 1.474 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC000635501323 450995054 /nfs/dbraw/zinc/99/50/54/450995054.db2.gz OBMDMHMSSMYQKN-SFHVURJKSA-N 2 1 333.476 1.388 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC000635501323 450995060 /nfs/dbraw/zinc/99/50/60/450995060.db2.gz OBMDMHMSSMYQKN-SFHVURJKSA-N 2 1 333.476 1.388 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC000635501323 450995066 /nfs/dbraw/zinc/99/50/66/450995066.db2.gz OBMDMHMSSMYQKN-SFHVURJKSA-N 2 1 333.476 1.388 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000635501323 450995069 /nfs/dbraw/zinc/99/50/69/450995069.db2.gz OBMDMHMSSMYQKN-SFHVURJKSA-N 2 1 333.476 1.388 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000626986991 451053342 /nfs/dbraw/zinc/05/33/42/451053342.db2.gz TULMULBFYRWPSX-XQHKEYJVSA-N 2 1 336.402 1.638 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000635570339 451069165 /nfs/dbraw/zinc/06/91/65/451069165.db2.gz BGCGQRUBIZBKRI-INIZCTEOSA-N 2 1 333.480 1.245 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000635570339 451069170 /nfs/dbraw/zinc/06/91/70/451069170.db2.gz BGCGQRUBIZBKRI-INIZCTEOSA-N 2 1 333.480 1.245 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627011657 451076148 /nfs/dbraw/zinc/07/61/48/451076148.db2.gz HFYHLCMFVUNAOU-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP Cc1ccc(CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c(N2CCCC2)[nH+]1 ZINC000627012122 451077001 /nfs/dbraw/zinc/07/70/01/451077001.db2.gz REIFDZUWMUIXFA-BBRMVZONSA-N 2 1 331.464 1.930 20 0 EDADMP Cc1ccc(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c(N2CCCC2)[nH+]1 ZINC000627012123 451077289 /nfs/dbraw/zinc/07/72/89/451077289.db2.gz REIFDZUWMUIXFA-CJNGLKHVSA-N 2 1 331.464 1.930 20 0 EDADMP CN(CC[NH+](C)C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635641384 451128686 /nfs/dbraw/zinc/12/86/86/451128686.db2.gz SKMRNRYBZLAGOU-QUCCMNQESA-N 2 1 345.487 1.545 20 0 EDADMP COC1CC[NH+](CCNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000635658840 451142615 /nfs/dbraw/zinc/14/26/15/451142615.db2.gz OKEOARFXJGHIET-UHFFFAOYSA-N 2 1 333.476 1.388 20 0 EDADMP COC1CC[NH+](CCNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000635658840 451142623 /nfs/dbraw/zinc/14/26/23/451142623.db2.gz OKEOARFXJGHIET-UHFFFAOYSA-N 2 1 333.476 1.388 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)CC2)c1 ZINC000627193307 451179612 /nfs/dbraw/zinc/17/96/12/451179612.db2.gz HMKJYMUFGCVUGA-FUHWJXTLSA-N 2 1 330.476 1.963 20 0 EDADMP C[C@H]1CC[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[NH2+]1 ZINC000627203140 451185202 /nfs/dbraw/zinc/18/52/02/451185202.db2.gz VHIXSKBWSQZZKO-SZNINPNASA-N 2 1 349.523 1.079 20 0 EDADMP [NH3+]CCCOCCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000627211852 451188965 /nfs/dbraw/zinc/18/89/65/451188965.db2.gz DUYROBGJXGZZJB-UHFFFAOYSA-N 2 1 340.512 1.649 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000627244923 451206520 /nfs/dbraw/zinc/20/65/20/451206520.db2.gz AIHBFRBAROBAIR-SOLBZPMBSA-N 2 1 330.476 1.900 20 0 EDADMP Cc1ncc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)o1 ZINC000628312923 451215747 /nfs/dbraw/zinc/21/57/47/451215747.db2.gz UANVFSNOCMNAMW-UHFFFAOYSA-N 2 1 342.443 1.970 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000635747824 451215891 /nfs/dbraw/zinc/21/58/91/451215891.db2.gz YBWLOSKKWHNDTL-UHFFFAOYSA-N 2 1 345.447 1.658 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000635784616 451238327 /nfs/dbraw/zinc/23/83/27/451238327.db2.gz GLIHWDYFRMDBCO-MOPGFXCFSA-N 2 1 345.487 1.744 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000635784616 451238328 /nfs/dbraw/zinc/23/83/28/451238328.db2.gz GLIHWDYFRMDBCO-MOPGFXCFSA-N 2 1 345.487 1.744 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000635784616 451238329 /nfs/dbraw/zinc/23/83/29/451238329.db2.gz GLIHWDYFRMDBCO-MOPGFXCFSA-N 2 1 345.487 1.744 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638084095 451247192 /nfs/dbraw/zinc/24/71/92/451247192.db2.gz PXPMFNZJBNDZPH-AOIWGVFYSA-N 2 1 346.519 1.682 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638084095 451247196 /nfs/dbraw/zinc/24/71/96/451247196.db2.gz PXPMFNZJBNDZPH-AOIWGVFYSA-N 2 1 346.519 1.682 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638084095 451247201 /nfs/dbraw/zinc/24/72/01/451247201.db2.gz PXPMFNZJBNDZPH-AOIWGVFYSA-N 2 1 346.519 1.682 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CCCC[NH2+]1 ZINC000638088038 451254041 /nfs/dbraw/zinc/25/40/41/451254041.db2.gz YJSJRNBZNDLKBY-OXJNMPFZSA-N 2 1 345.487 1.708 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000638094304 451258678 /nfs/dbraw/zinc/25/86/78/451258678.db2.gz ZNMAHDAQLITBBX-ZFWWWQNUSA-N 2 1 332.448 1.320 20 0 EDADMP COCC[C@H]([NH3+])Cc1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000630596803 451269106 /nfs/dbraw/zinc/26/91/06/451269106.db2.gz SJZOUIZSSFEXTO-MSOLQXFVSA-N 2 1 343.475 1.707 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(S(N)(=O)=O)s2)[C@H](C)C1 ZINC000638111452 451279579 /nfs/dbraw/zinc/27/95/79/451279579.db2.gz DZLHZLYWPFNRNF-DGCLKSJQSA-N 2 1 331.507 1.558 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000638113417 451280878 /nfs/dbraw/zinc/28/08/78/451280878.db2.gz CZBBVBNNGOKVEQ-RRLIJXGGSA-N 2 1 338.496 1.540 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000638113417 451280881 /nfs/dbraw/zinc/28/08/81/451280881.db2.gz CZBBVBNNGOKVEQ-RRLIJXGGSA-N 2 1 338.496 1.540 20 0 EDADMP C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000632370074 451232126 /nfs/dbraw/zinc/23/21/26/451232126.db2.gz VFRGFCRTWBMEAR-JKSUJKDBSA-N 2 1 347.507 1.828 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)[C@H]1c1cccs1 ZINC000638121750 451292370 /nfs/dbraw/zinc/29/23/70/451292370.db2.gz HCYYOIHSVARDOT-UKPHBRMFSA-N 2 1 337.489 1.626 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000638133855 451307177 /nfs/dbraw/zinc/30/71/77/451307177.db2.gz KXSDXLLNXSQMIZ-QGPMSJSTSA-N 2 1 330.476 1.187 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000638133855 451307183 /nfs/dbraw/zinc/30/71/83/451307183.db2.gz KXSDXLLNXSQMIZ-QGPMSJSTSA-N 2 1 330.476 1.187 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000638133855 451307186 /nfs/dbraw/zinc/30/71/86/451307186.db2.gz KXSDXLLNXSQMIZ-QGPMSJSTSA-N 2 1 330.476 1.187 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000638133853 451307196 /nfs/dbraw/zinc/30/71/96/451307196.db2.gz KXSDXLLNXSQMIZ-HFTRVMKXSA-N 2 1 330.476 1.187 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000638133853 451307199 /nfs/dbraw/zinc/30/71/99/451307199.db2.gz KXSDXLLNXSQMIZ-HFTRVMKXSA-N 2 1 330.476 1.187 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000638133853 451307204 /nfs/dbraw/zinc/30/72/04/451307204.db2.gz KXSDXLLNXSQMIZ-HFTRVMKXSA-N 2 1 330.476 1.187 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CN2CC[NH2+]CC2)cc1 ZINC000638135727 451309359 /nfs/dbraw/zinc/30/93/59/451309359.db2.gz UHCNQXMSGYMHCH-AWEZNQCLSA-N 2 1 327.432 1.263 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)CC[N@@H+]1C ZINC000638214987 451358790 /nfs/dbraw/zinc/35/87/90/451358790.db2.gz ICSXMMQTCLHTND-BBWFWOEESA-N 2 1 331.460 1.898 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)CC[N@H+]1C ZINC000638214987 451358793 /nfs/dbraw/zinc/35/87/93/451358793.db2.gz ICSXMMQTCLHTND-BBWFWOEESA-N 2 1 331.460 1.898 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000635935688 451379141 /nfs/dbraw/zinc/37/91/41/451379141.db2.gz OHOLCDVIBQPEJG-XYVMCAHJSA-N 2 1 331.460 1.485 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1ccccc1 ZINC000635935688 451379144 /nfs/dbraw/zinc/37/91/44/451379144.db2.gz OHOLCDVIBQPEJG-XYVMCAHJSA-N 2 1 331.460 1.485 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccccc1 ZINC000635935688 451379150 /nfs/dbraw/zinc/37/91/50/451379150.db2.gz OHOLCDVIBQPEJG-XYVMCAHJSA-N 2 1 331.460 1.485 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccccc1 ZINC000635935688 451379155 /nfs/dbraw/zinc/37/91/55/451379155.db2.gz OHOLCDVIBQPEJG-XYVMCAHJSA-N 2 1 331.460 1.485 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638271842 451390442 /nfs/dbraw/zinc/39/04/42/451390442.db2.gz DMZFJIDNIVLTHE-GOSISDBHSA-N 2 1 334.508 1.492 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640478775 451339236 /nfs/dbraw/zinc/33/92/36/451339236.db2.gz XHXJOEKROMXRJP-PXNSSMCTSA-N 2 1 343.471 1.142 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640478775 451339241 /nfs/dbraw/zinc/33/92/41/451339241.db2.gz XHXJOEKROMXRJP-PXNSSMCTSA-N 2 1 343.471 1.142 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000634456590 451346982 /nfs/dbraw/zinc/34/69/82/451346982.db2.gz HDSAGIULLCIAHI-IBGZPJMESA-N 2 1 344.503 1.323 20 0 EDADMP C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC[N@H+](C2CCC2)C1 ZINC000635956777 451395106 /nfs/dbraw/zinc/39/51/06/451395106.db2.gz ZKDMZASJZYMKMQ-MRXNPFEDSA-N 2 1 337.508 1.678 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000632559309 451399250 /nfs/dbraw/zinc/39/92/50/451399250.db2.gz FCBOZYPNTKVJOO-CQSZACIVSA-N 2 1 329.510 1.407 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000632559309 451399257 /nfs/dbraw/zinc/39/92/57/451399257.db2.gz FCBOZYPNTKVJOO-CQSZACIVSA-N 2 1 329.510 1.407 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638285231 451403291 /nfs/dbraw/zinc/40/32/91/451403291.db2.gz VQYPKQKWROIATR-ZWKOTPCHSA-N 2 1 332.492 1.244 20 0 EDADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638285231 451403294 /nfs/dbraw/zinc/40/32/94/451403294.db2.gz VQYPKQKWROIATR-ZWKOTPCHSA-N 2 1 332.492 1.244 20 0 EDADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638285231 451403299 /nfs/dbraw/zinc/40/32/99/451403299.db2.gz VQYPKQKWROIATR-ZWKOTPCHSA-N 2 1 332.492 1.244 20 0 EDADMP [NH3+]C1(Cc2nc(-c3ncc[nH]3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000634558696 451405286 /nfs/dbraw/zinc/40/52/86/451405286.db2.gz IKAITASIZPAQGP-UHFFFAOYSA-N 2 1 338.415 1.996 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638300641 451416118 /nfs/dbraw/zinc/41/61/18/451416118.db2.gz USBDLWFSVXRMQB-IEBWSBKVSA-N 2 1 331.460 1.488 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638300641 451416124 /nfs/dbraw/zinc/41/61/24/451416124.db2.gz USBDLWFSVXRMQB-IEBWSBKVSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000638328492 451436584 /nfs/dbraw/zinc/43/65/84/451436584.db2.gz JMBRZNVXWLXZPB-FHWLQOOXSA-N 2 1 344.503 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000638328492 451436592 /nfs/dbraw/zinc/43/65/92/451436592.db2.gz JMBRZNVXWLXZPB-FHWLQOOXSA-N 2 1 344.503 1.436 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccn1 ZINC000640616522 451464766 /nfs/dbraw/zinc/46/47/66/451464766.db2.gz MCVRGGOETIQBKS-INIZCTEOSA-N 2 1 335.452 1.112 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)ccn1 ZINC000640616522 451464769 /nfs/dbraw/zinc/46/47/69/451464769.db2.gz MCVRGGOETIQBKS-INIZCTEOSA-N 2 1 335.452 1.112 20 0 EDADMP CCC(=O)N1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634707330 451485369 /nfs/dbraw/zinc/48/53/69/451485369.db2.gz DIINVZUQNUBXJQ-IEBWSBKVSA-N 2 1 331.460 1.224 20 0 EDADMP CCC(=O)N1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634707330 451485372 /nfs/dbraw/zinc/48/53/72/451485372.db2.gz DIINVZUQNUBXJQ-IEBWSBKVSA-N 2 1 331.460 1.224 20 0 EDADMP O[C@]1(C[NH2+]CCCO[C@H]2CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634708632 451487279 /nfs/dbraw/zinc/48/72/79/451487279.db2.gz XNHHBAKLHGOZMR-OALUTQOASA-N 2 1 334.460 1.409 20 0 EDADMP O[C@]1(C[NH2+]CCCO[C@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708632 451487283 /nfs/dbraw/zinc/48/72/83/451487283.db2.gz XNHHBAKLHGOZMR-OALUTQOASA-N 2 1 334.460 1.409 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638335844 451441372 /nfs/dbraw/zinc/44/13/72/451441372.db2.gz WLEHKJNGZMKYMX-TXJVSEOTSA-N 2 1 343.471 1.473 20 0 EDADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CCC([NH+]2CCCOCC2)CC1 ZINC000636022680 451445383 /nfs/dbraw/zinc/44/53/83/451445383.db2.gz WEFFEWBZFOCLSM-GOSISDBHSA-N 2 1 335.492 1.717 20 0 EDADMP O=C([C@H]1CC[NH+]1C1CCCC1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000636022680 451445387 /nfs/dbraw/zinc/44/53/87/451445387.db2.gz WEFFEWBZFOCLSM-GOSISDBHSA-N 2 1 335.492 1.717 20 0 EDADMP O=C([C@H]1CC[NH+]1C1CCCC1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000636022680 451445390 /nfs/dbraw/zinc/44/53/90/451445390.db2.gz WEFFEWBZFOCLSM-GOSISDBHSA-N 2 1 335.492 1.717 20 0 EDADMP CCn1ccc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000638405907 451493593 /nfs/dbraw/zinc/49/35/93/451493593.db2.gz MOXSHELIFQOVLU-UHFFFAOYSA-N 2 1 341.459 2.225 20 0 EDADMP OCCC[N@H+]1CCC[C@H](NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634720265 451499597 /nfs/dbraw/zinc/49/95/97/451499597.db2.gz HPQJDAYCJZWOSG-PMACEKPBSA-N 2 1 347.503 1.060 20 0 EDADMP OCCC[NH+]1CCC[C@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634720265 451499600 /nfs/dbraw/zinc/49/96/00/451499600.db2.gz HPQJDAYCJZWOSG-PMACEKPBSA-N 2 1 347.503 1.060 20 0 EDADMP OCCC[NH+]1CCC[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634720265 451499605 /nfs/dbraw/zinc/49/96/05/451499605.db2.gz HPQJDAYCJZWOSG-PMACEKPBSA-N 2 1 347.503 1.060 20 0 EDADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000638480974 451535346 /nfs/dbraw/zinc/53/53/46/451535346.db2.gz FBVAZOIRGHXSPL-RBUKOAKNSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000638514526 451553561 /nfs/dbraw/zinc/55/35/61/451553561.db2.gz UFYCYTOYONLQLI-MOPGFXCFSA-N 2 1 346.519 1.634 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000638594621 451595678 /nfs/dbraw/zinc/59/56/78/451595678.db2.gz RXRLAMPAQDNTNO-CQSZACIVSA-N 2 1 348.274 1.948 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000638644024 451627534 /nfs/dbraw/zinc/62/75/34/451627534.db2.gz NWEMRRBPGYALPG-KBAYOESNSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000638644024 451627538 /nfs/dbraw/zinc/62/75/38/451627538.db2.gz NWEMRRBPGYALPG-KBAYOESNSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000638644019 451628173 /nfs/dbraw/zinc/62/81/73/451628173.db2.gz NWEMRRBPGYALPG-BPQIPLTHSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000638644019 451628177 /nfs/dbraw/zinc/62/81/77/451628177.db2.gz NWEMRRBPGYALPG-BPQIPLTHSA-N 2 1 331.460 1.534 20 0 EDADMP [NH3+]CCCOCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000638662534 451637957 /nfs/dbraw/zinc/63/79/57/451637957.db2.gz WQOZKEVENWSNME-MRXNPFEDSA-N 2 1 348.491 1.975 20 0 EDADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CCOCC[NH3+] ZINC000638670689 451641417 /nfs/dbraw/zinc/64/14/17/451641417.db2.gz PVKXXSYDHKWTCI-RTBURBONSA-N 2 1 347.503 1.968 20 0 EDADMP C[C@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)C1=CC[N@@H+](C)CC1 ZINC000637035039 451690022 /nfs/dbraw/zinc/69/00/22/451690022.db2.gz UGFIYWSBKGPBJV-AWEZNQCLSA-N 2 1 346.479 1.922 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000638782802 451690072 /nfs/dbraw/zinc/69/00/72/451690072.db2.gz BWLFFAJGQLYYRK-MOPGFXCFSA-N 2 1 345.487 1.906 20 0 EDADMP O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850369 451710350 /nfs/dbraw/zinc/71/03/50/451710350.db2.gz DUGPDXIBMREGST-OALUTQOASA-N 2 1 345.487 1.926 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850068 451710605 /nfs/dbraw/zinc/71/06/05/451710605.db2.gz BOGGVOMMHWJBPF-ZWKOTPCHSA-N 2 1 333.476 1.911 20 0 EDADMP C[C@H]([NH2+]Cc1cnc(N)nc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638914675 451734348 /nfs/dbraw/zinc/73/43/48/451734348.db2.gz CITCRBPYJIRRNU-ZFWWWQNUSA-N 2 1 326.448 1.302 20 0 EDADMP C[C@H]([NH2+]Cc1cnc(N)nc1N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638914675 451734351 /nfs/dbraw/zinc/73/43/51/451734351.db2.gz CITCRBPYJIRRNU-ZFWWWQNUSA-N 2 1 326.448 1.302 20 0 EDADMP Cc1cccc2nc(Cn3cc(CC[NH+]4CCC([NH3+])CC4)nn3)cn21 ZINC000641030324 451735252 /nfs/dbraw/zinc/73/52/52/451735252.db2.gz RGDDRHVEVCGZJQ-UHFFFAOYSA-N 2 1 339.447 1.248 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC[N@H+]1CCOC ZINC000641032224 451735708 /nfs/dbraw/zinc/73/57/08/451735708.db2.gz HCPYBFGJLMIXJN-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@H]1CN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1CC(C)(C)O ZINC000641163447 451766493 /nfs/dbraw/zinc/76/64/93/451766493.db2.gz KVBWYMKJUBHEAO-AWEZNQCLSA-N 2 1 346.475 1.276 20 0 EDADMP CO[C@@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCOCC1 ZINC000639310592 451820624 /nfs/dbraw/zinc/82/06/24/451820624.db2.gz XWZUDIFUXROJFN-UXHICEINSA-N 2 1 348.487 1.784 20 0 EDADMP CCCN(C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2)[C@@H]1CC[N@H+](C)C1 ZINC000646767434 451829673 /nfs/dbraw/zinc/82/96/73/451829673.db2.gz YUMFKNOYYQMCTP-QGZVFWFLSA-N 2 1 344.459 1.513 20 0 EDADMP CCCN(C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2)[C@@H]1CC[N@@H+](C)C1 ZINC000646767434 451829675 /nfs/dbraw/zinc/82/96/75/451829675.db2.gz YUMFKNOYYQMCTP-QGZVFWFLSA-N 2 1 344.459 1.513 20 0 EDADMP CCCN(C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[C@@H]1CC[NH+](C)C1 ZINC000646767434 451829678 /nfs/dbraw/zinc/82/96/78/451829678.db2.gz YUMFKNOYYQMCTP-QGZVFWFLSA-N 2 1 344.459 1.513 20 0 EDADMP CCCN(C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[C@@H]1CC[NH+](C)C1 ZINC000646767434 451829681 /nfs/dbraw/zinc/82/96/81/451829681.db2.gz YUMFKNOYYQMCTP-QGZVFWFLSA-N 2 1 344.459 1.513 20 0 EDADMP CC(C)OC[C@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000644527862 451843203 /nfs/dbraw/zinc/84/32/03/451843203.db2.gz AKDSZQSOUJDCTQ-VQIMIIECSA-N 2 1 336.476 1.783 20 0 EDADMP CC(C)OC[C@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000644527862 451843205 /nfs/dbraw/zinc/84/32/05/451843205.db2.gz AKDSZQSOUJDCTQ-VQIMIIECSA-N 2 1 336.476 1.783 20 0 EDADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000637469931 451885860 /nfs/dbraw/zinc/88/58/60/451885860.db2.gz GQKMQPXRSXYOOB-IRXDYDNUSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)NC[C@@H]1CCCC[NH+]1CCO ZINC000637469931 451885865 /nfs/dbraw/zinc/88/58/65/451885865.db2.gz GQKMQPXRSXYOOB-IRXDYDNUSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)NC[C@@H]1CCCC[NH+]1CCO ZINC000637469931 451885873 /nfs/dbraw/zinc/88/58/73/451885873.db2.gz GQKMQPXRSXYOOB-IRXDYDNUSA-N 2 1 338.496 1.149 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000644601439 451887310 /nfs/dbraw/zinc/88/73/10/451887310.db2.gz UMQSTHDLGNKBJV-RTBURBONSA-N 2 1 348.487 1.797 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000644601439 451887316 /nfs/dbraw/zinc/88/73/16/451887316.db2.gz UMQSTHDLGNKBJV-RTBURBONSA-N 2 1 348.487 1.797 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642645415 451906283 /nfs/dbraw/zinc/90/62/83/451906283.db2.gz JZZROJODAJJALO-HZPDHXFCSA-N 2 1 338.496 1.016 20 0 EDADMP CN(C(=O)[C@H]1CCc2cncn2C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000649213594 451908255 /nfs/dbraw/zinc/90/82/55/451908255.db2.gz AFZQPIYBOMYGIO-YJBOKZPZSA-N 3 1 345.491 1.072 20 0 EDADMP CN(C(=O)[C@H]1CCc2cncn2C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000649213594 451908260 /nfs/dbraw/zinc/90/82/60/451908260.db2.gz AFZQPIYBOMYGIO-YJBOKZPZSA-N 3 1 345.491 1.072 20 0 EDADMP Cc1ncc(CNC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000639518476 451920127 /nfs/dbraw/zinc/92/01/27/451920127.db2.gz IJBPFVDMZWVCQY-ZBFHGGJFSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncc(CNC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000639518476 451920132 /nfs/dbraw/zinc/92/01/32/451920132.db2.gz IJBPFVDMZWVCQY-ZBFHGGJFSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncc(CNC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000639518476 451920135 /nfs/dbraw/zinc/92/01/35/451920135.db2.gz IJBPFVDMZWVCQY-ZBFHGGJFSA-N 2 1 336.505 1.874 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000644674277 451931647 /nfs/dbraw/zinc/93/16/47/451931647.db2.gz LHDPRZNQVNMVDR-SZMVWBNQSA-N 2 1 333.476 1.361 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000644674277 451931652 /nfs/dbraw/zinc/93/16/52/451931652.db2.gz LHDPRZNQVNMVDR-SZMVWBNQSA-N 2 1 333.476 1.361 20 0 EDADMP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000649268483 451941599 /nfs/dbraw/zinc/94/15/99/451941599.db2.gz LHQOPSNYYPGEGZ-INIZCTEOSA-N 2 1 337.414 1.966 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)[C@@H]2C1 ZINC000644732085 451959906 /nfs/dbraw/zinc/95/99/06/451959906.db2.gz FAAMQHIXJWXASJ-SLFFLAALSA-N 2 1 329.488 1.913 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)[C@@H]2C1 ZINC000644732085 451959912 /nfs/dbraw/zinc/95/99/12/451959912.db2.gz FAAMQHIXJWXASJ-SLFFLAALSA-N 2 1 329.488 1.913 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)[C@@H]2C1 ZINC000644732085 451959915 /nfs/dbraw/zinc/95/99/15/451959915.db2.gz FAAMQHIXJWXASJ-SLFFLAALSA-N 2 1 329.488 1.913 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(N)CC[NH+](C)C3)cc2)C1 ZINC000649288286 451962556 /nfs/dbraw/zinc/96/25/56/451962556.db2.gz ICYCIYOEOWREMQ-KXBFYZLASA-N 2 1 330.476 1.890 20 0 EDADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@]3(N)CC[N@H+](C)C3)cc2)C1 ZINC000649288286 451962561 /nfs/dbraw/zinc/96/25/61/451962561.db2.gz ICYCIYOEOWREMQ-KXBFYZLASA-N 2 1 330.476 1.890 20 0 EDADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@]3(N)CC[N@@H+](C)C3)cc2)C1 ZINC000649288286 451962568 /nfs/dbraw/zinc/96/25/68/451962568.db2.gz ICYCIYOEOWREMQ-KXBFYZLASA-N 2 1 330.476 1.890 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000637608585 451971297 /nfs/dbraw/zinc/97/12/97/451971297.db2.gz WNPCLTCURYWHHN-AEFFLSMTSA-N 2 1 330.476 1.759 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000649299243 451976264 /nfs/dbraw/zinc/97/62/64/451976264.db2.gz BMKPWMQVZNEPFF-XIRDDKMYSA-N 2 1 344.459 1.450 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000649299243 451976271 /nfs/dbraw/zinc/97/62/71/451976271.db2.gz BMKPWMQVZNEPFF-XIRDDKMYSA-N 2 1 344.459 1.450 20 0 EDADMP CC(C)([NH3+])CCC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000649299377 451977284 /nfs/dbraw/zinc/97/72/84/451977284.db2.gz OLFYNGVRBLUABH-HNNXBMFYSA-N 2 1 332.448 1.592 20 0 EDADMP CC(C)([NH3+])CCC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000649299377 451977287 /nfs/dbraw/zinc/97/72/87/451977287.db2.gz OLFYNGVRBLUABH-HNNXBMFYSA-N 2 1 332.448 1.592 20 0 EDADMP COC[C@]1(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CCC[NH2+]1 ZINC000649306623 451984037 /nfs/dbraw/zinc/98/40/37/451984037.db2.gz CMNIGQRAFUTADE-SFHVURJKSA-N 2 1 346.406 1.705 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CC(C)(C)[NH3+])cc2)CC1 ZINC000649308517 451984922 /nfs/dbraw/zinc/98/49/22/451984922.db2.gz LXJBHYZDGRKIPZ-UHFFFAOYSA-N 2 1 332.448 1.530 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CC[C@H](C)[NH3+])cc2)CC1 ZINC000649308537 451985107 /nfs/dbraw/zinc/98/51/07/451985107.db2.gz NEPZAAMNXUJCFB-AWEZNQCLSA-N 2 1 332.448 1.530 20 0 EDADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1)CC(C)C ZINC000642910296 451986539 /nfs/dbraw/zinc/98/65/39/451986539.db2.gz DEFNNEOUAUOQEG-HNNXBMFYSA-N 2 1 340.512 1.056 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)c2C1 ZINC000649312939 451991183 /nfs/dbraw/zinc/99/11/83/451991183.db2.gz MUDUVIPNPHEJQG-AWEZNQCLSA-N 2 1 340.431 1.790 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)c2C1 ZINC000649312939 451991189 /nfs/dbraw/zinc/99/11/89/451991189.db2.gz MUDUVIPNPHEJQG-AWEZNQCLSA-N 2 1 340.431 1.790 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000637657726 452001210 /nfs/dbraw/zinc/00/12/10/452001210.db2.gz XUBSKFSANRGNQZ-YLFCFFPRSA-N 2 1 340.512 1.610 20 0 EDADMP CCOC[C@H](O)C[NH+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000649327529 452008619 /nfs/dbraw/zinc/00/86/19/452008619.db2.gz ZTRCJZMQKYRAGW-QZTJIDSGSA-N 2 1 349.475 1.008 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000649334403 452014762 /nfs/dbraw/zinc/01/47/62/452014762.db2.gz CPYPRJYPNFSYMD-ZGRYLRDCSA-N 2 1 325.497 1.757 20 0 EDADMP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)[C@@H]2C1 ZINC000644826620 452017816 /nfs/dbraw/zinc/01/78/16/452017816.db2.gz KCPCCLRDRSDSOK-RYQLBKOJSA-N 2 1 328.460 1.599 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)[C@@H]2C1 ZINC000644826620 452017822 /nfs/dbraw/zinc/01/78/22/452017822.db2.gz KCPCCLRDRSDSOK-RYQLBKOJSA-N 2 1 328.460 1.599 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)[C@@H]2C1 ZINC000644826620 452017828 /nfs/dbraw/zinc/01/78/28/452017828.db2.gz KCPCCLRDRSDSOK-RYQLBKOJSA-N 2 1 328.460 1.599 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)[C@@H]2C1 ZINC000644826620 452017833 /nfs/dbraw/zinc/01/78/33/452017833.db2.gz KCPCCLRDRSDSOK-RYQLBKOJSA-N 2 1 328.460 1.599 20 0 EDADMP CC(C)([NH3+])CCC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000649352017 452034977 /nfs/dbraw/zinc/03/49/77/452034977.db2.gz HXMKLCJAYNPUNE-UHFFFAOYSA-N 2 1 333.480 1.227 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649353544 452037887 /nfs/dbraw/zinc/03/78/87/452037887.db2.gz GONLNXCNJPCYJH-BWTSREIZSA-N 3 1 348.535 1.107 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000649364187 452043285 /nfs/dbraw/zinc/04/32/85/452043285.db2.gz ZFRIBFFEZYIKGB-SOLBZPMBSA-N 2 1 328.460 1.504 20 0 EDADMP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000649364187 452043290 /nfs/dbraw/zinc/04/32/90/452043290.db2.gz ZFRIBFFEZYIKGB-SOLBZPMBSA-N 2 1 328.460 1.504 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000649365989 452044571 /nfs/dbraw/zinc/04/45/71/452044571.db2.gz DRUVNXVGJRUPLH-LNLFQRSKSA-N 2 1 342.487 1.894 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000649365989 452044579 /nfs/dbraw/zinc/04/45/79/452044579.db2.gz DRUVNXVGJRUPLH-LNLFQRSKSA-N 2 1 342.487 1.894 20 0 EDADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000649382216 452054771 /nfs/dbraw/zinc/05/47/71/452054771.db2.gz WMZKUSRDRRCFAZ-RLLQIKCJSA-N 2 1 331.504 1.863 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCC(C)([NH3+])CC2)CC1 ZINC000649416141 452077575 /nfs/dbraw/zinc/07/75/75/452077575.db2.gz SKWFNDAANMUIEM-UHFFFAOYSA-N 2 1 344.503 1.452 20 0 EDADMP CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000639762788 452101994 /nfs/dbraw/zinc/10/19/94/452101994.db2.gz UWLMXZLETMCETE-LJQANCHMSA-N 2 1 349.475 1.802 20 0 EDADMP CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000639762788 452102001 /nfs/dbraw/zinc/10/20/01/452102001.db2.gz UWLMXZLETMCETE-LJQANCHMSA-N 2 1 349.475 1.802 20 0 EDADMP COC1([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000643346179 452143532 /nfs/dbraw/zinc/14/35/32/452143532.db2.gz HKWUPAQEOIRMLI-QZTJIDSGSA-N 2 1 339.524 1.720 20 0 EDADMP [NH3+]C1(CC(=O)NC[C@@H]2CCCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000637938631 452186989 /nfs/dbraw/zinc/18/69/89/452186989.db2.gz VEHBNAZURXGFAY-SFHVURJKSA-N 2 1 345.487 1.913 20 0 EDADMP CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000643454615 452231487 /nfs/dbraw/zinc/23/14/87/452231487.db2.gz SFNNFZZSVUEHCD-MSOLQXFVSA-N 2 1 345.468 1.970 20 0 EDADMP Cc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c(-c2cnn(C)c2)c1 ZINC000647492686 452234908 /nfs/dbraw/zinc/23/49/08/452234908.db2.gz SRDSXXYHEYZERC-UHFFFAOYSA-N 2 1 327.476 1.733 20 0 EDADMP [NH3+][C@H]1C[C@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)c2ccccc21 ZINC000643469911 452237385 /nfs/dbraw/zinc/23/73/85/452237385.db2.gz HEGQOTHPWVVAOT-OALUTQOASA-N 2 1 342.487 1.665 20 0 EDADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655450018 452246838 /nfs/dbraw/zinc/24/68/38/452246838.db2.gz ZZIIZNMPLBRKPT-UYAOXDASSA-N 2 1 342.487 1.315 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645278036 452255981 /nfs/dbraw/zinc/25/59/81/452255981.db2.gz CKUREPQNUSWNSG-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP CCOCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000647528106 452262395 /nfs/dbraw/zinc/26/23/95/452262395.db2.gz JJQMIGDTOUQTHI-CEXWTWQISA-N 2 1 336.476 1.247 20 0 EDADMP CCOCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000647528106 452262402 /nfs/dbraw/zinc/26/24/02/452262402.db2.gz JJQMIGDTOUQTHI-CEXWTWQISA-N 2 1 336.476 1.247 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000663558213 452269797 /nfs/dbraw/zinc/26/97/97/452269797.db2.gz LXAYMPMXBGZFEU-OAHLLOKOSA-N 2 1 339.528 1.184 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000663558213 452269802 /nfs/dbraw/zinc/26/98/02/452269802.db2.gz LXAYMPMXBGZFEU-OAHLLOKOSA-N 2 1 339.528 1.184 20 0 EDADMP CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000641790014 452270154 /nfs/dbraw/zinc/27/01/54/452270154.db2.gz GZYBQUUCFLRNFX-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP COC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000661469562 452274261 /nfs/dbraw/zinc/27/42/61/452274261.db2.gz KCPUIXDDHDGCGP-QGZVFWFLSA-N 2 1 335.448 1.136 20 0 EDADMP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)n(-c2ccccc2F)n1 ZINC000641801193 452275541 /nfs/dbraw/zinc/27/55/41/452275541.db2.gz AYUFQGFPGCDXDA-CABCVRRESA-N 2 1 345.422 1.974 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000641803517 452281216 /nfs/dbraw/zinc/28/12/16/452281216.db2.gz GIMQBCDNMOMPIN-KGLIPLIRSA-N 2 1 341.402 1.662 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659436466 452284479 /nfs/dbraw/zinc/28/44/79/452284479.db2.gz LWFLWNVDDLRTMO-WBVHZDCISA-N 2 1 334.508 1.892 20 0 EDADMP CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1OC ZINC000641807128 452285865 /nfs/dbraw/zinc/28/58/65/452285865.db2.gz QSYBNZMJXXTLJG-AFAVFJNCSA-N 2 1 349.475 1.987 20 0 EDADMP COc1ccc(CN(C(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)C2CC2)cc1 ZINC000641808967 452289174 /nfs/dbraw/zinc/28/91/74/452289174.db2.gz VDVFKSMNTPQJOX-IRXDYDNUSA-N 2 1 331.460 1.902 20 0 EDADMP Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c(C)c1 ZINC000641807992 452289237 /nfs/dbraw/zinc/28/92/37/452289237.db2.gz WTVJLCCKWLSUSA-LSDHHAIUSA-N 2 1 346.475 1.382 20 0 EDADMP CCO[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000652119552 452315676 /nfs/dbraw/zinc/31/56/76/452315676.db2.gz KMPLZOUQABEZIP-FGTMMUONSA-N 2 1 346.475 1.266 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)CO[C@H](C)COC)CC1 ZINC000639985892 452317904 /nfs/dbraw/zinc/31/79/04/452317904.db2.gz DYHCENVKYOGZIA-SJORKVTESA-N 2 1 328.497 1.739 20 0 EDADMP CC(C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)[NH+]1CCOCC1 ZINC000652124114 452319064 /nfs/dbraw/zinc/31/90/64/452319064.db2.gz NZIVLIMVQHJVPI-BQFCYCMXSA-N 2 1 338.496 1.114 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)c1ccccc1Cl ZINC000638052051 452325278 /nfs/dbraw/zinc/32/52/78/452325278.db2.gz VWNNDDWHZHSLMY-WBVHZDCISA-N 2 1 339.867 1.814 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000638052043 452326687 /nfs/dbraw/zinc/32/66/87/452326687.db2.gz VUCUCTTVPJENMF-MJEQTWJJSA-N 2 1 339.867 1.826 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000665758256 452329146 /nfs/dbraw/zinc/32/91/46/452329146.db2.gz CRBWJAJKYVYWEC-HRCADAONSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000665758256 452329153 /nfs/dbraw/zinc/32/91/53/452329153.db2.gz CRBWJAJKYVYWEC-HRCADAONSA-N 2 1 328.501 1.109 20 0 EDADMP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663609594 452337967 /nfs/dbraw/zinc/33/79/67/452337967.db2.gz UUQNEUGODPNAFV-INIZCTEOSA-N 2 1 344.459 1.322 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000659480450 452339062 /nfs/dbraw/zinc/33/90/62/452339062.db2.gz LVXBWMVWENAYEC-VHSSKADRSA-N 2 1 346.475 1.880 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCCC[C@@H]1[C@H](C)CO ZINC000665763442 452343016 /nfs/dbraw/zinc/34/30/16/452343016.db2.gz AVXCZPYPMQGGDT-IXDOHACOSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCCC[C@@H]1[C@H](C)CO ZINC000665763442 452343026 /nfs/dbraw/zinc/34/30/26/452343026.db2.gz AVXCZPYPMQGGDT-IXDOHACOSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000665763931 452350297 /nfs/dbraw/zinc/35/02/97/452350297.db2.gz PLNKWODDGDIMEQ-FUHWJXTLSA-N 2 1 347.507 1.853 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000665763931 452350303 /nfs/dbraw/zinc/35/03/03/452350303.db2.gz PLNKWODDGDIMEQ-FUHWJXTLSA-N 2 1 347.507 1.853 20 0 EDADMP CCO[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C[NH3+] ZINC000652171176 452366880 /nfs/dbraw/zinc/36/68/80/452366880.db2.gz CPNGDBYINSBHFW-BRWVUGGUSA-N 2 1 340.512 1.360 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000638065140 452367054 /nfs/dbraw/zinc/36/70/54/452367054.db2.gz RDCNBDXIRVPFBX-FXAWDEMLSA-N 2 1 345.487 1.707 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652193738 452391814 /nfs/dbraw/zinc/39/18/14/452391814.db2.gz TZEVVGLZKAQEDR-NXOAAHMSSA-N 2 1 340.512 1.643 20 0 EDADMP COC[C@]1(CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCC[NH2+]1 ZINC000659542776 452400716 /nfs/dbraw/zinc/40/07/16/452400716.db2.gz QBZUZCYIEMXPHI-MAUKXSAKSA-N 2 1 338.496 1.461 20 0 EDADMP CC[N@@H+](CCCNC(=O)N1CCOC2(C[NH2+]C2)C1)C1CCCCC1 ZINC000652227363 452419705 /nfs/dbraw/zinc/41/97/05/452419705.db2.gz FCCBIOREVIIRHF-UHFFFAOYSA-N 2 1 338.496 1.415 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCCC2(C[NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC000652231424 452421472 /nfs/dbraw/zinc/42/14/72/452421472.db2.gz VYITUIGPQXUNDT-KRWDZBQOSA-N 2 1 330.476 1.684 20 0 EDADMP C[N@H+]1CCN(C(=O)NCCC2(C[NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC000652231424 452421482 /nfs/dbraw/zinc/42/14/82/452421482.db2.gz VYITUIGPQXUNDT-KRWDZBQOSA-N 2 1 330.476 1.684 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)C[C@@H]21 ZINC000659590774 452448043 /nfs/dbraw/zinc/44/80/43/452448043.db2.gz DYRLRADUOZBJOI-DDBAPUKQSA-N 2 1 346.450 1.617 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[NH+](C)C)cc1 ZINC000654408170 452460658 /nfs/dbraw/zinc/46/06/58/452460658.db2.gz XMXMKFNGSNPFDR-RCCFBDPRSA-N 2 1 346.475 1.058 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000652289439 452473946 /nfs/dbraw/zinc/47/39/46/452473946.db2.gz ZRMKLHUOWGWLLC-HNNXBMFYSA-N 2 1 348.491 1.393 20 0 EDADMP CCC(C)(C)[NH+]1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000654440744 452502092 /nfs/dbraw/zinc/50/20/92/452502092.db2.gz SYKKMQNPYLKEAH-UHFFFAOYSA-N 2 1 328.526 1.551 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000652335935 452506803 /nfs/dbraw/zinc/50/68/03/452506803.db2.gz SDLLUJRIFXZALS-KRWDZBQOSA-N 2 1 339.505 1.933 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000652335935 452506813 /nfs/dbraw/zinc/50/68/13/452506813.db2.gz SDLLUJRIFXZALS-KRWDZBQOSA-N 2 1 339.505 1.933 20 0 EDADMP C[NH2+]C[C@](C)(O)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000652341428 452513590 /nfs/dbraw/zinc/51/35/90/452513590.db2.gz OUMKXEATOMMOQK-UFYCRDLUSA-N 2 1 331.504 1.943 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)NCC3CCCCC3)C2)C1 ZINC000652345638 452518813 /nfs/dbraw/zinc/51/88/13/452518813.db2.gz HHEXXLFJVCZSDN-KURKYZTESA-N 2 1 337.508 1.901 20 0 EDADMP CN(C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000652345575 452519423 /nfs/dbraw/zinc/51/94/23/452519423.db2.gz GBYOZTZOECNFTI-XYJFISCASA-N 2 1 337.508 1.996 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(=O)n4ccsc4n3)C2)C1 ZINC000652345867 452520223 /nfs/dbraw/zinc/52/02/23/452520223.db2.gz OGYCSZGAPSDEEM-GUTXKFCHSA-N 2 1 348.472 1.474 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000647786182 452520975 /nfs/dbraw/zinc/52/09/75/452520975.db2.gz JXANWNZICYCDAJ-NJDAHSKKSA-N 3 1 342.531 1.912 20 0 EDADMP NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346832 452523472 /nfs/dbraw/zinc/52/34/72/452523472.db2.gz JRUXPXBMVJGCOI-HJWJTTGWSA-N 2 1 335.423 1.570 20 0 EDADMP NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346832 452523476 /nfs/dbraw/zinc/52/34/76/452523476.db2.gz JRUXPXBMVJGCOI-HJWJTTGWSA-N 2 1 335.423 1.570 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655712486 452528771 /nfs/dbraw/zinc/52/87/71/452528771.db2.gz RXRGATDMRKGKOL-MSOLQXFVSA-N 2 1 325.497 1.066 20 0 EDADMP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655712486 452528778 /nfs/dbraw/zinc/52/87/78/452528778.db2.gz RXRGATDMRKGKOL-MSOLQXFVSA-N 3 1 325.497 1.066 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655712486 452528793 /nfs/dbraw/zinc/52/87/93/452528793.db2.gz RXRGATDMRKGKOL-MSOLQXFVSA-N 3 1 325.497 1.066 20 0 EDADMP C[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)[C@H]1CC[NH3+] ZINC000652354593 452531519 /nfs/dbraw/zinc/53/15/19/452531519.db2.gz CNAYMWOIPDDFBB-OIISXLGYSA-N 2 1 331.460 1.556 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)[C@H]1CC[NH3+] ZINC000652354593 452531527 /nfs/dbraw/zinc/53/15/27/452531527.db2.gz CNAYMWOIPDDFBB-OIISXLGYSA-N 2 1 331.460 1.556 20 0 EDADMP c1ncn(-c2cccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2)n1 ZINC000655723014 452536281 /nfs/dbraw/zinc/53/62/81/452536281.db2.gz FWZMTVZYJAJINT-SFHVURJKSA-N 2 1 327.432 1.610 20 0 EDADMP COc1ccc(C(=O)NCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655725008 452536772 /nfs/dbraw/zinc/53/67/72/452536772.db2.gz KKZLDLIKGRFHOV-QGZVFWFLSA-N 2 1 347.459 1.268 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)NC(C2CC2)C2CC2)C1 ZINC000652361903 452545349 /nfs/dbraw/zinc/54/53/49/452545349.db2.gz SDYFFHHQNBFEIZ-IXDOHACOSA-N 2 1 335.492 1.652 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000659679333 452550228 /nfs/dbraw/zinc/55/02/28/452550228.db2.gz UVIKFZWLDFBNSB-DOTOQJQBSA-N 2 1 348.491 1.113 20 0 EDADMP COCCO[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655756739 452560371 /nfs/dbraw/zinc/56/03/71/452560371.db2.gz XEGQMIMBLUBJIT-RCCFBDPRSA-N 2 1 342.480 1.040 20 0 EDADMP C[C@H](O)[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000661770925 452565634 /nfs/dbraw/zinc/56/56/34/452565634.db2.gz KDGACJFSRFMLAR-QFBILLFUSA-N 2 1 345.487 1.744 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835093 452570782 /nfs/dbraw/zinc/57/07/82/452570782.db2.gz MMQFOMQRDDETTI-LSDHHAIUSA-N 2 1 336.455 1.228 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835093 452570786 /nfs/dbraw/zinc/57/07/86/452570786.db2.gz MMQFOMQRDDETTI-LSDHHAIUSA-N 2 1 336.455 1.228 20 0 EDADMP C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CCN1CC[NH2+]CC1 ZINC000647835436 452573547 /nfs/dbraw/zinc/57/35/47/452573547.db2.gz YLWCXXWVYGROTD-LJQANCHMSA-N 2 1 344.503 1.407 20 0 EDADMP Cn1nnc2c1CC[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000655828956 452599651 /nfs/dbraw/zinc/59/96/51/452599651.db2.gz ICELEUJRTPVXQQ-GOSISDBHSA-N 2 1 339.487 1.969 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661842045 452624773 /nfs/dbraw/zinc/62/47/73/452624773.db2.gz QHOVIDWPDUIIIF-OWCLPIDISA-N 2 1 328.497 1.641 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661842045 452624781 /nfs/dbraw/zinc/62/47/81/452624781.db2.gz QHOVIDWPDUIIIF-OWCLPIDISA-N 2 1 328.497 1.641 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000663941330 452660488 /nfs/dbraw/zinc/66/04/88/452660488.db2.gz KDONVRSZFUHDEY-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655907416 452664949 /nfs/dbraw/zinc/66/49/49/452664949.db2.gz IQUPOEGNYVUTIA-KFWWJZLASA-N 2 1 346.475 1.952 20 0 EDADMP C[C@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655907416 452664955 /nfs/dbraw/zinc/66/49/55/452664955.db2.gz IQUPOEGNYVUTIA-KFWWJZLASA-N 2 1 346.475 1.952 20 0 EDADMP CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655920113 452682138 /nfs/dbraw/zinc/68/21/38/452682138.db2.gz HMNPRVWJTIRTHS-ZIAGYGMSSA-N 2 1 344.381 1.792 20 0 EDADMP Cc1cn2nc(N[C@@H]3CC[N@H+](CCC[NH+]4CCCCC4)C3)ccc2n1 ZINC000647947572 452691515 /nfs/dbraw/zinc/69/15/15/452691515.db2.gz QSKIBTGFQOVRRQ-QGZVFWFLSA-N 2 1 342.491 2.400 20 0 EDADMP Cc1cn2nc(N[C@@H]3CC[N@@H+](CCC[NH+]4CCCCC4)C3)ccc2n1 ZINC000647947572 452691521 /nfs/dbraw/zinc/69/15/21/452691521.db2.gz QSKIBTGFQOVRRQ-QGZVFWFLSA-N 2 1 342.491 2.400 20 0 EDADMP C(c1nnnn1CC1CCOCC1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978700 452722824 /nfs/dbraw/zinc/72/28/24/452722824.db2.gz WWTXZFLHCBOHNW-IRXDYDNUSA-N 2 1 348.495 1.311 20 0 EDADMP C(c1nnnn1CC1CCOCC1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978700 452722833 /nfs/dbraw/zinc/72/28/33/452722833.db2.gz WWTXZFLHCBOHNW-IRXDYDNUSA-N 2 1 348.495 1.311 20 0 EDADMP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658134651 452745562 /nfs/dbraw/zinc/74/55/62/452745562.db2.gz BBFOKLZIPYXCSN-KXBFYZLASA-N 2 1 326.444 1.764 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655963360 452746550 /nfs/dbraw/zinc/74/65/50/452746550.db2.gz YKDYRBXAUYAKCM-RBGFHDKUSA-N 2 1 326.485 1.171 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655963360 452746556 /nfs/dbraw/zinc/74/65/56/452746556.db2.gz YKDYRBXAUYAKCM-RBGFHDKUSA-N 2 1 326.485 1.171 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650893 452748236 /nfs/dbraw/zinc/74/82/36/452748236.db2.gz OYBHJQNZOJXFEL-WCXIOVBPSA-N 2 1 336.480 1.140 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650893 452748242 /nfs/dbraw/zinc/74/82/42/452748242.db2.gz OYBHJQNZOJXFEL-WCXIOVBPSA-N 2 1 336.480 1.140 20 0 EDADMP COCC1(CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH2+]CC1 ZINC000655966603 452748777 /nfs/dbraw/zinc/74/87/77/452748777.db2.gz BKGVGVNUYXAZCJ-HOTGVXAUSA-N 2 1 338.496 1.319 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969349 452750400 /nfs/dbraw/zinc/75/04/00/452750400.db2.gz HRCQCWFHDSFLSQ-KOWPAETKSA-N 2 1 338.496 1.171 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969349 452750407 /nfs/dbraw/zinc/75/04/07/452750407.db2.gz HRCQCWFHDSFLSQ-KOWPAETKSA-N 2 1 338.496 1.171 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000654655417 452765540 /nfs/dbraw/zinc/76/55/40/452765540.db2.gz GTVMODOALCFMQZ-WCXIOVBPSA-N 2 1 340.512 1.610 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000654655417 452765548 /nfs/dbraw/zinc/76/55/48/452765548.db2.gz GTVMODOALCFMQZ-WCXIOVBPSA-N 2 1 340.512 1.610 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000654655417 452765555 /nfs/dbraw/zinc/76/55/55/452765555.db2.gz GTVMODOALCFMQZ-WCXIOVBPSA-N 2 1 340.512 1.610 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000654655417 452765570 /nfs/dbraw/zinc/76/55/70/452765570.db2.gz GTVMODOALCFMQZ-WCXIOVBPSA-N 2 1 340.512 1.610 20 0 EDADMP O=C(CCOC1C[NH2+]C1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000645787013 452788105 /nfs/dbraw/zinc/78/81/05/452788105.db2.gz RRXRPULXSKWHRQ-QGZVFWFLSA-N 2 1 331.460 1.393 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccon3)CC2)CC1 ZINC000662046871 452797192 /nfs/dbraw/zinc/79/71/92/452797192.db2.gz SQYGIBOADPHOFX-UHFFFAOYSA-N 2 1 334.464 1.843 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C2CC2)nn1 ZINC000666353110 452801272 /nfs/dbraw/zinc/80/12/72/452801272.db2.gz MHTCMVRXAIJWPI-ZDUSSCGKSA-N 2 1 334.468 1.748 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C2CC2)nn1 ZINC000666353110 452801283 /nfs/dbraw/zinc/80/12/83/452801283.db2.gz MHTCMVRXAIJWPI-ZDUSSCGKSA-N 2 1 334.468 1.748 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000664175930 452843706 /nfs/dbraw/zinc/84/37/06/452843706.db2.gz RXGQKMUORZRVGL-UHFFFAOYSA-N 2 1 341.544 1.434 20 0 EDADMP CCC[N@H+](C)CC(C)(C)NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000664175930 452843713 /nfs/dbraw/zinc/84/37/13/452843713.db2.gz RXGQKMUORZRVGL-UHFFFAOYSA-N 2 1 341.544 1.434 20 0 EDADMP COC1CC[NH+](CCNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654730945 452849960 /nfs/dbraw/zinc/84/99/60/452849960.db2.gz ZKTQTYFXDLPPMC-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP CC1(C)C[NH2+][C@H]1C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000648149069 452861502 /nfs/dbraw/zinc/86/15/02/452861502.db2.gz GUFPGSPWLVRIPR-KRWDZBQOSA-N 2 1 346.475 1.131 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)C1 ZINC000659980128 452888897 /nfs/dbraw/zinc/88/88/97/452888897.db2.gz RFIUDUDFOSWTDT-ZJPYXAASSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@@H+](CCCNC(=O)CN1CC[NH+](CC)CC1)C1CCCCC1 ZINC000652756917 452917645 /nfs/dbraw/zinc/91/76/45/452917645.db2.gz ZBFAVYAPPNYPCM-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000660012788 452923197 /nfs/dbraw/zinc/92/31/97/452923197.db2.gz UKRPWKAUAFTWRK-RDJZCZTQSA-N 2 1 337.489 1.511 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000660012788 452923205 /nfs/dbraw/zinc/92/32/05/452923205.db2.gz UKRPWKAUAFTWRK-RDJZCZTQSA-N 2 1 337.489 1.511 20 0 EDADMP CNS(=O)(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000660012788 452923210 /nfs/dbraw/zinc/92/32/10/452923210.db2.gz UKRPWKAUAFTWRK-RDJZCZTQSA-N 2 1 337.489 1.511 20 0 EDADMP CNS(=O)(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000660012788 452923216 /nfs/dbraw/zinc/92/32/16/452923216.db2.gz UKRPWKAUAFTWRK-RDJZCZTQSA-N 2 1 337.489 1.511 20 0 EDADMP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2([NH+](C)C)CC2)c1 ZINC000666506478 452924054 /nfs/dbraw/zinc/92/40/54/452924054.db2.gz WQTGIGVYCXEWAM-UHFFFAOYSA-N 2 1 346.475 1.791 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(-n4cncn4)cc3)C2)C1 ZINC000650706650 452944037 /nfs/dbraw/zinc/94/40/37/452944037.db2.gz PBUKDHTVEUELGQ-ZHALLVOQSA-N 2 1 341.459 1.986 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cnc(N3CCCC3)nc2)C1 ZINC000650721965 452952071 /nfs/dbraw/zinc/95/20/71/452952071.db2.gz HIOBYBFRVNOEPI-FGTMMUONSA-N 2 1 345.491 1.938 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000652813425 452971375 /nfs/dbraw/zinc/97/13/75/452971375.db2.gz CPJAXHWXWWDDAD-QRVBRYPASA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000652813425 452971389 /nfs/dbraw/zinc/97/13/89/452971389.db2.gz CPJAXHWXWWDDAD-QRVBRYPASA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000652813425 452971396 /nfs/dbraw/zinc/97/13/96/452971396.db2.gz CPJAXHWXWWDDAD-QRVBRYPASA-N 2 1 343.471 1.583 20 0 EDADMP O=C(N1CCCC1)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662249512 452976655 /nfs/dbraw/zinc/97/66/55/452976655.db2.gz VZVLGZUNGLQSAQ-UHFFFAOYSA-N 2 1 328.460 1.666 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nc(C)n1 ZINC000662263416 452995031 /nfs/dbraw/zinc/99/50/31/452995031.db2.gz ASVRIZRYSBQHBN-DOTOQJQBSA-N 2 1 331.464 1.174 20 0 EDADMP CC(C)(C)c1nc(CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)no1 ZINC000662265899 452996057 /nfs/dbraw/zinc/99/60/57/452996057.db2.gz WRXVJZZJDHYTFK-AWEZNQCLSA-N 2 1 349.479 1.006 20 0 EDADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000662294191 453017051 /nfs/dbraw/zinc/01/70/51/453017051.db2.gz PQOGWWBFCJWBRM-KRWDZBQOSA-N 3 1 348.535 1.441 20 0 EDADMP C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000666627438 453020244 /nfs/dbraw/zinc/02/02/44/453020244.db2.gz QLASCDXXYLPQFX-KGLIPLIRSA-N 2 1 332.448 1.320 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000662379252 453087397 /nfs/dbraw/zinc/08/73/97/453087397.db2.gz COEODLFQAVMNSA-SFHVURJKSA-N 2 1 332.492 1.309 20 0 EDADMP CC(C)[NH2+]CC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000662383118 453091744 /nfs/dbraw/zinc/09/17/44/453091744.db2.gz FQTNOAAODGLZNT-GOSISDBHSA-N 2 1 332.492 1.479 20 0 EDADMP CC(C)[NH2+]CC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000662383118 453091751 /nfs/dbraw/zinc/09/17/51/453091751.db2.gz FQTNOAAODGLZNT-GOSISDBHSA-N 2 1 332.492 1.479 20 0 EDADMP CC(C)[NH2+]CC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000662383118 453091759 /nfs/dbraw/zinc/09/17/59/453091759.db2.gz FQTNOAAODGLZNT-GOSISDBHSA-N 2 1 332.492 1.479 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000660163999 453096836 /nfs/dbraw/zinc/09/68/36/453096836.db2.gz FBHWCXFFFRSOAN-HDICACEKSA-N 2 1 339.524 1.123 20 0 EDADMP [NH3+][C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Br ZINC000662409135 453120525 /nfs/dbraw/zinc/12/05/25/453120525.db2.gz DWKRBBKNYXWSHH-IINYFYTJSA-N 2 1 338.249 1.802 20 0 EDADMP [NH3+][C@@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1Br ZINC000662409135 453120531 /nfs/dbraw/zinc/12/05/31/453120531.db2.gz DWKRBBKNYXWSHH-IINYFYTJSA-N 2 1 338.249 1.802 20 0 EDADMP C[C@@H]1CN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC[NH2+]1 ZINC000662417720 453127390 /nfs/dbraw/zinc/12/73/90/453127390.db2.gz JMSJEYVNUIRJSE-SSDOTTSWSA-N 2 1 330.251 1.548 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CC[C@H](O)C3)CC2)CC1 ZINC000655023101 453146214 /nfs/dbraw/zinc/14/62/14/453146214.db2.gz RXJJYMLFVLOILH-YJBOKZPZSA-N 2 1 337.508 1.460 20 0 EDADMP CN(CC[NH+]1CCCCC1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000652989104 453178242 /nfs/dbraw/zinc/17/82/42/453178242.db2.gz WUISYRWHEWNBJV-UHFFFAOYSA-N 2 1 345.491 1.391 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc(CC[NH+]3CCCCC3)nn2)C1 ZINC000656448882 453190567 /nfs/dbraw/zinc/19/05/67/453190567.db2.gz ORIYQNXQUOOBGQ-SFHVURJKSA-N 2 1 335.496 1.663 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc(C[C@@H]([NH3+])c3ccccc3)nn2)C1 ZINC000656448762 453190589 /nfs/dbraw/zinc/19/05/89/453190589.db2.gz MDLVLYQZHITJSI-RBUKOAKNSA-N 2 1 343.475 1.877 20 0 EDADMP CC[C@H](NC(=O)[C@@H](C)[NH2+]C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646238086 453249692 /nfs/dbraw/zinc/24/96/92/453249692.db2.gz OKNFGOHNMZWMKK-MNEFBYGVSA-N 2 1 345.487 1.923 20 0 EDADMP CC[C@H](NC(=O)[C@@H](C)[NH2+]C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646238086 453249698 /nfs/dbraw/zinc/24/96/98/453249698.db2.gz OKNFGOHNMZWMKK-MNEFBYGVSA-N 2 1 345.487 1.923 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCCCS1 ZINC000664631990 453270087 /nfs/dbraw/zinc/27/00/87/453270087.db2.gz BJUQXCSAUYOTHL-LSDHHAIUSA-N 2 1 330.542 1.843 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCCCS1 ZINC000664631990 453270095 /nfs/dbraw/zinc/27/00/95/453270095.db2.gz BJUQXCSAUYOTHL-LSDHHAIUSA-N 2 1 330.542 1.843 20 0 EDADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662557738 453286548 /nfs/dbraw/zinc/28/65/48/453286548.db2.gz MREZCWUKFHUNJD-IONNQARKSA-N 2 1 344.278 1.842 20 0 EDADMP [NH3+][C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1Br ZINC000662565882 453293212 /nfs/dbraw/zinc/29/32/12/453293212.db2.gz SCZQCRAIWLKRHM-HOTUBEGUSA-N 2 1 330.201 1.265 20 0 EDADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111031 453297689 /nfs/dbraw/zinc/29/76/89/453297689.db2.gz AWKLOGIPGZBSIJ-SCTDSRPQSA-N 2 1 329.444 1.003 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653113238 453299534 /nfs/dbraw/zinc/29/95/34/453299534.db2.gz XOOZMOKLYPKTBY-RMRDIRSESA-N 2 1 329.444 1.174 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653113239 453300023 /nfs/dbraw/zinc/30/00/23/453300023.db2.gz XOOZMOKLYPKTBY-WMEZAQDKSA-N 2 1 329.444 1.174 20 0 EDADMP C[NH2+][C@@H](C(=O)N1CCCO[C@H](C[NH3+])C1)c1cccc(Cl)c1Cl ZINC000662576236 453303823 /nfs/dbraw/zinc/30/38/23/453303823.db2.gz UPSZYTJBLOBKKN-QMTHXVAHSA-N 2 1 346.258 1.830 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000662575844 453303855 /nfs/dbraw/zinc/30/38/55/453303855.db2.gz GOWDIORCQFCGFG-DLBZAZTESA-N 2 1 330.476 1.224 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCc2cccs2)CC1 ZINC000656701476 453378496 /nfs/dbraw/zinc/37/84/96/453378496.db2.gz UMSVKGDZUUQXIG-MRXNPFEDSA-N 2 1 325.522 1.609 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+](Cc3cccnc3)C1)C2 ZINC000653194469 453384446 /nfs/dbraw/zinc/38/44/46/453384446.db2.gz JWNMXOAOHPMASX-HBFSDRIKSA-N 2 1 342.487 1.881 20 0 EDADMP CC[N@@H+](CCCNC(=O)C[NH2+]C[C@@H]1CCCO1)C1CCCCC1 ZINC000653200561 453393937 /nfs/dbraw/zinc/39/39/37/453393937.db2.gz IUJJWTRPPQGNHZ-KRWDZBQOSA-N 2 1 325.497 1.916 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662687652 453408327 /nfs/dbraw/zinc/40/83/27/453408327.db2.gz IRAVHFRYNIRPBT-LBPRGKRZSA-N 2 1 331.420 1.713 20 0 EDADMP C[N@@H+]1CCN(C(=O)COC2CCC([NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC000653254180 453437242 /nfs/dbraw/zinc/43/72/42/453437242.db2.gz KHSHWARMBHAQQB-XBMUEBEBSA-N 2 1 345.487 1.658 20 0 EDADMP C[N@H+]1CCN(C(=O)COC2CCC([NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC000653254180 453437254 /nfs/dbraw/zinc/43/72/54/453437254.db2.gz KHSHWARMBHAQQB-XBMUEBEBSA-N 2 1 345.487 1.658 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662713247 453438443 /nfs/dbraw/zinc/43/84/43/453438443.db2.gz YHJLRPHWRAZRAU-MRXNPFEDSA-N 2 1 341.402 1.582 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])c2)C[C@@H](C)O1 ZINC000662738118 453463220 /nfs/dbraw/zinc/46/32/20/453463220.db2.gz GWOIPYWCTKQKTN-DTDBQYNISA-N 2 1 347.459 1.598 20 0 EDADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662745585 453474244 /nfs/dbraw/zinc/47/42/44/453474244.db2.gz JTIOKMZLHGLRFQ-BXUZGUMPSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662745585 453474252 /nfs/dbraw/zinc/47/42/52/453474252.db2.gz JTIOKMZLHGLRFQ-BXUZGUMPSA-N 2 1 340.265 1.907 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[C@@H](C)C1 ZINC000662746621 453476755 /nfs/dbraw/zinc/47/67/55/453476755.db2.gz VFMSJUJSFUNOGE-UXLLHSPISA-N 2 1 348.495 1.395 20 0 EDADMP Cc1csc2nc(CN3CCC[C@@]4(CC[N@H+](C)C4)C3)cc(=O)n12 ZINC000660655000 453489526 /nfs/dbraw/zinc/48/95/26/453489526.db2.gz DWDMBDYIDXDCEX-KRWDZBQOSA-N 2 1 332.473 1.982 20 0 EDADMP [NH3+][C@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc(F)cc1F ZINC000662763912 453500825 /nfs/dbraw/zinc/50/08/25/453500825.db2.gz JYQUQZPPWGZLER-BZNIZROVSA-N 2 1 332.354 1.814 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCO[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000662803992 453539058 /nfs/dbraw/zinc/53/90/58/453539058.db2.gz AOBUJIVEVCZTGQ-BVBHFADKSA-N 2 1 345.487 1.767 20 0 EDADMP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000662811909 453545316 /nfs/dbraw/zinc/54/53/16/453545316.db2.gz BVEIOWREZIASHY-MRXNPFEDSA-N 2 1 341.415 1.323 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000660750106 453559325 /nfs/dbraw/zinc/55/93/25/453559325.db2.gz AQLQVVIHELZUTI-KSZLIROESA-N 2 1 336.524 1.251 20 0 EDADMP CC[C@]1(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CCC[NH2+]1 ZINC000662857900 453573873 /nfs/dbraw/zinc/57/38/73/453573873.db2.gz CRNDLRSCVHZTQU-PKOBYXMFSA-N 2 1 331.460 1.402 20 0 EDADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662858849 453574137 /nfs/dbraw/zinc/57/41/37/453574137.db2.gz IUYMIIFZECPMEZ-GGPKGHCWSA-N 2 1 345.487 1.777 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662873293 453582644 /nfs/dbraw/zinc/58/26/44/453582644.db2.gz WCABDCBNTUNRRK-SQNIBIBYSA-N 2 1 331.460 1.126 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CCSC1 ZINC000660826634 453590496 /nfs/dbraw/zinc/59/04/96/453590496.db2.gz QJNYZZYTMMHSFD-CZUORRHYSA-N 2 1 328.526 1.596 20 0 EDADMP CN(C(=O)C1([NH3+])CC2(CCC2)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900251 453593025 /nfs/dbraw/zinc/59/30/25/453593025.db2.gz KTTXHPBKBTXRFV-INIZCTEOSA-N 2 1 334.508 1.275 20 0 EDADMP CN(C(=O)C1([NH3+])CC2(CCC2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900251 453593028 /nfs/dbraw/zinc/59/30/28/453593028.db2.gz KTTXHPBKBTXRFV-INIZCTEOSA-N 2 1 334.508 1.275 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000660828850 453593316 /nfs/dbraw/zinc/59/33/16/453593316.db2.gz ATKDCTPEAGOZRR-JKSUJKDBSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000660828850 453593323 /nfs/dbraw/zinc/59/33/23/453593323.db2.gz ATKDCTPEAGOZRR-JKSUJKDBSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000660828850 453593327 /nfs/dbraw/zinc/59/33/27/453593327.db2.gz ATKDCTPEAGOZRR-JKSUJKDBSA-N 2 1 339.528 1.042 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662939795 453615815 /nfs/dbraw/zinc/61/58/15/453615815.db2.gz JASFVHZEMACSMB-MSOLQXFVSA-N 2 1 344.503 1.307 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662939795 453615820 /nfs/dbraw/zinc/61/58/20/453615820.db2.gz JASFVHZEMACSMB-MSOLQXFVSA-N 2 1 344.503 1.307 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662939801 453616344 /nfs/dbraw/zinc/61/63/44/453616344.db2.gz JASFVHZEMACSMB-ZWKOTPCHSA-N 2 1 344.503 1.307 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662939801 453616347 /nfs/dbraw/zinc/61/63/47/453616347.db2.gz JASFVHZEMACSMB-ZWKOTPCHSA-N 2 1 344.503 1.307 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000659095570 453628376 /nfs/dbraw/zinc/62/83/76/453628376.db2.gz FFHKXEKLMTYDGN-OAHLLOKOSA-N 2 1 330.432 1.217 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000665271053 453631088 /nfs/dbraw/zinc/63/10/88/453631088.db2.gz GFFURDLNAUBJEU-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)c2C1 ZINC000659099564 453631654 /nfs/dbraw/zinc/63/16/54/453631654.db2.gz HFTWGVBJHFIZTF-UHFFFAOYSA-N 2 1 342.443 1.300 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)c2C1 ZINC000659099564 453631658 /nfs/dbraw/zinc/63/16/58/453631658.db2.gz HFTWGVBJHFIZTF-UHFFFAOYSA-N 2 1 342.443 1.300 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660885795 453632718 /nfs/dbraw/zinc/63/27/18/453632718.db2.gz ARJYHIRJBXEOTD-XYPHTWIQSA-N 2 1 336.480 1.022 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@]3(C)CC[NH2+]C3)cc2F)CC1 ZINC000663010165 453646559 /nfs/dbraw/zinc/64/65/59/453646559.db2.gz IJFPBGSSPJPLNM-SFHVURJKSA-N 2 1 334.439 1.449 20 0 EDADMP CC1(C)C[NH2+][C@H]1C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659374284 453731059 /nfs/dbraw/zinc/73/10/59/453731059.db2.gz INJVLEHSHOTXHB-KRWDZBQOSA-N 2 1 342.487 1.455 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)CCO2 ZINC000665553723 453744976 /nfs/dbraw/zinc/74/49/76/453744976.db2.gz ZPDFWTGZWYRMOO-HNNXBMFYSA-N 2 1 338.496 1.365 20 0 EDADMP CC1CCC(O)(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000663342894 453774839 /nfs/dbraw/zinc/77/48/39/453774839.db2.gz UAONHZQBIYGDQW-UHFFFAOYSA-N 2 1 333.480 1.259 20 0 EDADMP Cc1nc(NCC[N@H+](C)C2CC2)nc(NCC[NH+](C)C2CC2)c1F ZINC000663424043 453794168 /nfs/dbraw/zinc/79/41/68/453794168.db2.gz LNJHLIKHEPQABM-UHFFFAOYSA-N 2 1 336.459 1.936 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000663439609 453799230 /nfs/dbraw/zinc/79/92/30/453799230.db2.gz SBQKRWVOGILXTK-INIZCTEOSA-N 3 1 341.544 1.432 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000663439609 453799233 /nfs/dbraw/zinc/79/92/33/453799233.db2.gz SBQKRWVOGILXTK-INIZCTEOSA-N 3 1 341.544 1.432 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000663503043 453811599 /nfs/dbraw/zinc/81/15/99/453811599.db2.gz MPMNMFNLTYCWCS-QGZVFWFLSA-N 2 1 338.496 1.103 20 0 EDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663509491 453813115 /nfs/dbraw/zinc/81/31/15/453813115.db2.gz AMALDQBYVLHRQB-AWEZNQCLSA-N 2 1 329.452 1.230 20 0 EDADMP Cc1ccncc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512905 453813688 /nfs/dbraw/zinc/81/36/88/453813688.db2.gz PURJHLSRESYDAJ-INIZCTEOSA-N 2 1 340.475 1.902 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000671307935 486651140 /nfs/dbraw/zinc/65/11/40/486651140.db2.gz ZDFUYPBYBPJOFV-SJORKVTESA-N 2 1 335.492 1.514 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000676243571 486703450 /nfs/dbraw/zinc/70/34/50/486703450.db2.gz ZZTVVIPQQSRXFB-ZBFHGGJFSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000676243571 486703455 /nfs/dbraw/zinc/70/34/55/486703455.db2.gz ZZTVVIPQQSRXFB-ZBFHGGJFSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1)CC2 ZINC000676303632 486726610 /nfs/dbraw/zinc/72/66/10/486726610.db2.gz GDQGMPPDTCCDNB-WCXIOVBPSA-N 2 1 338.496 1.362 20 0 EDADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1)CC2 ZINC000676303632 486726617 /nfs/dbraw/zinc/72/66/17/486726617.db2.gz GDQGMPPDTCCDNB-WCXIOVBPSA-N 2 1 338.496 1.362 20 0 EDADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)CC2 ZINC000676303632 486726621 /nfs/dbraw/zinc/72/66/21/486726621.db2.gz GDQGMPPDTCCDNB-WCXIOVBPSA-N 2 1 338.496 1.362 20 0 EDADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000676303632 486726626 /nfs/dbraw/zinc/72/66/26/486726626.db2.gz GDQGMPPDTCCDNB-WCXIOVBPSA-N 2 1 338.496 1.362 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC)cn1 ZINC000680233073 486726183 /nfs/dbraw/zinc/72/61/83/486726183.db2.gz FDIPUSNDMUTJNA-HNNXBMFYSA-N 2 1 349.479 1.970 20 0 EDADMP C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676306430 486730045 /nfs/dbraw/zinc/73/00/45/486730045.db2.gz UQKDNVSMUNTCRK-RDJZCZTQSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676306430 486730050 /nfs/dbraw/zinc/73/00/50/486730050.db2.gz UQKDNVSMUNTCRK-RDJZCZTQSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](NC(=O)N1CCC[NH+](C2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676306430 486730055 /nfs/dbraw/zinc/73/00/55/486730055.db2.gz UQKDNVSMUNTCRK-RDJZCZTQSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](NC(=O)N1CCC[NH+](C2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676306430 486730058 /nfs/dbraw/zinc/73/00/58/486730058.db2.gz UQKDNVSMUNTCRK-RDJZCZTQSA-N 2 1 338.496 1.365 20 0 EDADMP Cn1nnnc1CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000671751293 486741983 /nfs/dbraw/zinc/74/19/83/486741983.db2.gz YBRXQNVUEIUIPL-UHFFFAOYSA-N 2 1 328.464 1.785 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)c1ccccc1 ZINC000672667928 486757462 /nfs/dbraw/zinc/75/74/62/486757462.db2.gz XENNNZGZVOYXKA-KRWDZBQOSA-N 2 1 348.491 1.387 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000417176076 486794707 /nfs/dbraw/zinc/79/47/07/486794707.db2.gz KWCLAICDBSWPDN-MSOLQXFVSA-N 2 1 346.475 1.588 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000672836753 486813827 /nfs/dbraw/zinc/81/38/27/486813827.db2.gz XCTAEJKGJGANEY-MRXNPFEDSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH+](C)CC[C@@H](NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C(C)(C)C ZINC000672877062 486826692 /nfs/dbraw/zinc/82/66/92/486826692.db2.gz ONDKLBXCVJMKRR-OAHLLOKOSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000683943182 486874630 /nfs/dbraw/zinc/87/46/30/486874630.db2.gz AEDMAHGGHDUFSN-ACJLOTCBSA-N 2 1 328.460 1.425 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000683943182 486874635 /nfs/dbraw/zinc/87/46/35/486874635.db2.gz AEDMAHGGHDUFSN-ACJLOTCBSA-N 2 1 328.460 1.425 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000683943182 486874640 /nfs/dbraw/zinc/87/46/40/486874640.db2.gz AEDMAHGGHDUFSN-ACJLOTCBSA-N 2 1 328.460 1.425 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000683943182 486874647 /nfs/dbraw/zinc/87/46/47/486874647.db2.gz AEDMAHGGHDUFSN-ACJLOTCBSA-N 2 1 328.460 1.425 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673177556 486936048 /nfs/dbraw/zinc/93/60/48/486936048.db2.gz QOKGYUCLJPKKNX-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673177556 486936051 /nfs/dbraw/zinc/93/60/51/486936051.db2.gz QOKGYUCLJPKKNX-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP O=C1[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCN1c1ccccc1C(F)(F)F ZINC000681166566 486957046 /nfs/dbraw/zinc/95/70/46/486957046.db2.gz QPLJGRTUHSTJOY-SLEUVZQESA-N 2 1 339.361 1.962 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cnc4c(c3)C[NH2+]CC4)C2)C1 ZINC000667802317 486971663 /nfs/dbraw/zinc/97/16/63/486971663.db2.gz LUKJMFXWYFIROT-SFHVURJKSA-N 2 1 329.448 1.677 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cc(C2CC2)no1 ZINC000667812806 486977783 /nfs/dbraw/zinc/97/77/83/486977783.db2.gz XIYUNAXLKMOVPF-MRXNPFEDSA-N 2 1 348.491 1.969 20 0 EDADMP C[NH+](C)C1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000667833357 486986043 /nfs/dbraw/zinc/98/60/43/486986043.db2.gz SXLNVHSNJKBFMV-OAHLLOKOSA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+](C)C1(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000667833357 486986048 /nfs/dbraw/zinc/98/60/48/486986048.db2.gz SXLNVHSNJKBFMV-OAHLLOKOSA-N 2 1 344.459 1.417 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCN1Cc1ccccn1 ZINC000673640514 487074097 /nfs/dbraw/zinc/07/40/97/487074097.db2.gz ICGXLAGPIUCTAZ-NXHRZFHOSA-N 2 1 328.460 1.789 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000673640514 487074104 /nfs/dbraw/zinc/07/41/04/487074104.db2.gz ICGXLAGPIUCTAZ-NXHRZFHOSA-N 2 1 328.460 1.789 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000673640514 487074109 /nfs/dbraw/zinc/07/41/09/487074109.db2.gz ICGXLAGPIUCTAZ-NXHRZFHOSA-N 2 1 328.460 1.789 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673640514 487074115 /nfs/dbraw/zinc/07/41/15/487074115.db2.gz ICGXLAGPIUCTAZ-NXHRZFHOSA-N 2 1 328.460 1.789 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673640514 487074119 /nfs/dbraw/zinc/07/41/19/487074119.db2.gz ICGXLAGPIUCTAZ-NXHRZFHOSA-N 2 1 328.460 1.789 20 0 EDADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000677484673 487099776 /nfs/dbraw/zinc/09/97/76/487099776.db2.gz OCPLNBHWBIKLCO-SFHVURJKSA-N 3 1 347.507 1.308 20 0 EDADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000677484673 487099782 /nfs/dbraw/zinc/09/97/82/487099782.db2.gz OCPLNBHWBIKLCO-SFHVURJKSA-N 3 1 347.507 1.308 20 0 EDADMP COCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000674015818 487183771 /nfs/dbraw/zinc/18/37/71/487183771.db2.gz YTLQYSJNZXKNJJ-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP COCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000674015818 487183778 /nfs/dbraw/zinc/18/37/78/487183778.db2.gz YTLQYSJNZXKNJJ-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)CN2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000674323145 487235893 /nfs/dbraw/zinc/23/58/93/487235893.db2.gz JJKWOZISYFFUCU-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)CN2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000674323145 487235898 /nfs/dbraw/zinc/23/58/98/487235898.db2.gz JJKWOZISYFFUCU-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP O=C(C[NH+]1CCC(c2c[nH]cn2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000674372877 487247591 /nfs/dbraw/zinc/24/75/91/487247591.db2.gz DMEWLKSLOOPSCG-UHFFFAOYSA-N 2 1 331.464 1.332 20 0 EDADMP CC1(C)CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1CCO ZINC000682008460 487280251 /nfs/dbraw/zinc/28/02/51/487280251.db2.gz INAROZOVIZBYFW-UHFFFAOYSA-N 2 1 345.487 1.811 20 0 EDADMP CC1(C)CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1CCO ZINC000682008460 487280254 /nfs/dbraw/zinc/28/02/54/487280254.db2.gz INAROZOVIZBYFW-UHFFFAOYSA-N 2 1 345.487 1.811 20 0 EDADMP CN(c1ccccc1C[N@@H+]1C[C@H](O)C[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000678299048 487284750 /nfs/dbraw/zinc/28/47/50/487284750.db2.gz YCKKBPBTHSSUHN-HDICACEKSA-N 2 1 333.476 1.145 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[NH+](C(C)(C)CO)CC1)[NH+]1CCCCC1 ZINC000679316319 487413044 /nfs/dbraw/zinc/41/30/44/487413044.db2.gz QKQNOWPAQQXOIS-INIZCTEOSA-N 2 1 325.497 1.412 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000676048832 487468771 /nfs/dbraw/zinc/46/87/71/487468771.db2.gz VQLLQTPMPHSGIU-GVDBMIGSSA-N 2 1 338.496 1.148 20 0 EDADMP [NH3+]CCCNC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000669557204 485561089 /nfs/dbraw/zinc/56/10/89/485561089.db2.gz YJKWRPKZNIHIGI-FGTMMUONSA-N 2 1 330.476 1.935 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669561168 485568862 /nfs/dbraw/zinc/56/88/62/485568862.db2.gz TUAIWADPNZWAHX-OQIJWPOYSA-N 2 1 342.487 1.900 20 0 EDADMP [NH3+]C[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000669570401 485589449 /nfs/dbraw/zinc/58/94/49/485589449.db2.gz GMPPMFOKTHLZST-MSOLQXFVSA-N 2 1 346.475 1.268 20 0 EDADMP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000669575134 485615706 /nfs/dbraw/zinc/61/57/06/485615706.db2.gz HYTPPGBBZHJILC-DAWZGUTISA-N 2 1 343.475 1.754 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CCO1 ZINC000669587432 485639351 /nfs/dbraw/zinc/63/93/51/485639351.db2.gz FGSSAEARTZWNKY-ONIAQPFYSA-N 2 1 346.475 1.407 20 0 EDADMP C[C@H]([NH3+])CNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000669121655 485702727 /nfs/dbraw/zinc/70/27/27/485702727.db2.gz RQROPPIJKVBBGO-SOUVJXGZSA-N 2 1 334.464 1.442 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NC/C=C/C[NH3+])cc2)CC1 ZINC000669236501 485846049 /nfs/dbraw/zinc/84/60/49/485846049.db2.gz OGVHCBPCUUBAOF-ONEGZZNKSA-N 2 1 345.491 1.138 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000668542966 485872428 /nfs/dbraw/zinc/87/24/28/485872428.db2.gz TUADQAZGDSUOCQ-WMZOPIPTSA-N 2 1 331.460 1.728 20 0 EDADMP C[C@H](CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000283857761 486080653 /nfs/dbraw/zinc/08/06/53/486080653.db2.gz GBZZGJVVPOCKLX-RHSMWYFYSA-N 2 1 346.475 1.004 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000669418665 486138153 /nfs/dbraw/zinc/13/81/53/486138153.db2.gz XXXSBWVKOXNVIB-MAUKXSAKSA-N 2 1 330.476 1.875 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000668785155 486193074 /nfs/dbraw/zinc/19/30/74/486193074.db2.gz NDNMMJAZAYASSJ-GOSISDBHSA-N 2 1 329.448 1.810 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000668785155 486193077 /nfs/dbraw/zinc/19/30/77/486193077.db2.gz NDNMMJAZAYASSJ-GOSISDBHSA-N 2 1 329.448 1.810 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000672697801 486197914 /nfs/dbraw/zinc/19/79/14/486197914.db2.gz YYBLYYHEFAQGMV-INIZCTEOSA-N 2 1 349.479 1.031 20 0 EDADMP C[C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000669474140 486228195 /nfs/dbraw/zinc/22/81/95/486228195.db2.gz FECCWFBGHBNDHT-VYDXJSESSA-N 2 1 334.464 1.265 20 0 EDADMP CN(C)c1nccc(N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)n1 ZINC000671471630 486555934 /nfs/dbraw/zinc/55/59/34/486555934.db2.gz BUYAVLCDRFKSCG-WMLDXEAASA-N 2 1 343.479 1.795 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261695148 486646757 /nfs/dbraw/zinc/64/67/57/486646757.db2.gz HXNWYQICQLPUBQ-XWTMOSNGSA-N 2 1 336.524 1.521 20 0 EDADMP C[NH+](C)C[C@H](NC(=O)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000670172811 486648801 /nfs/dbraw/zinc/64/88/01/486648801.db2.gz FIRFOFAGQZPCMX-INIZCTEOSA-N 2 1 338.883 1.306 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000119209278 490995293 /nfs/dbraw/zinc/99/52/93/490995293.db2.gz MVMYBUMDHQBGGY-CAOSSQGBSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000119209278 490995294 /nfs/dbraw/zinc/99/52/94/490995294.db2.gz MVMYBUMDHQBGGY-CAOSSQGBSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000119209278 490995295 /nfs/dbraw/zinc/99/52/95/490995295.db2.gz MVMYBUMDHQBGGY-CAOSSQGBSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H](NC(=O)NCC[NH2+]C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494802 490998661 /nfs/dbraw/zinc/99/86/61/490998661.db2.gz MRKXCRDUWSUAIK-MAUKXSAKSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@H](NC(=O)NCC[NH2+]C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494802 490998662 /nfs/dbraw/zinc/99/86/62/490998662.db2.gz MRKXCRDUWSUAIK-MAUKXSAKSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000085424511 491189065 /nfs/dbraw/zinc/18/90/65/491189065.db2.gz BGCUDGLKMYZVPT-JKSUJKDBSA-N 2 1 340.512 1.469 20 0 EDADMP CSc1ccc([C@H](CNC(=O)N2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000297453454 500639362 /nfs/dbraw/zinc/63/93/62/500639362.db2.gz KBROYGQBOVEECC-INIZCTEOSA-N 2 1 336.505 1.968 20 0 EDADMP CC1(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]CC1 ZINC000183355490 527944999 /nfs/dbraw/zinc/94/49/99/527944999.db2.gz QFDPPYJGXIUKSZ-GOSISDBHSA-N 2 1 345.487 1.783 20 0 EDADMP CC1(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]CC1 ZINC000183355490 527945008 /nfs/dbraw/zinc/94/50/08/527945008.db2.gz QFDPPYJGXIUKSZ-GOSISDBHSA-N 2 1 345.487 1.783 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000183762605 528995071 /nfs/dbraw/zinc/99/50/71/528995071.db2.gz HZYGHIKGHLNVKP-RBUKOAKNSA-N 2 1 345.487 1.744 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000183762605 528995079 /nfs/dbraw/zinc/99/50/79/528995079.db2.gz HZYGHIKGHLNVKP-RBUKOAKNSA-N 2 1 345.487 1.744 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000183762605 528995084 /nfs/dbraw/zinc/99/50/84/528995084.db2.gz HZYGHIKGHLNVKP-RBUKOAKNSA-N 2 1 345.487 1.744 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(O)c1 ZINC000174195835 529099008 /nfs/dbraw/zinc/09/90/08/529099008.db2.gz WPHRFWDHKCRECL-KRWDZBQOSA-N 2 1 348.491 1.950 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000097174579 534941261 /nfs/dbraw/zinc/94/12/61/534941261.db2.gz VBYKOYMFVRKMLA-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000097174579 534941267 /nfs/dbraw/zinc/94/12/67/534941267.db2.gz VBYKOYMFVRKMLA-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000097174579 534941269 /nfs/dbraw/zinc/94/12/69/534941269.db2.gz VBYKOYMFVRKMLA-INIZCTEOSA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000339613489 534948436 /nfs/dbraw/zinc/94/84/36/534948436.db2.gz GCSZBYIUYQPNAC-MRXNPFEDSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000247253421 535121129 /nfs/dbraw/zinc/12/11/29/535121129.db2.gz PUXHSMJNQWNUMG-DLBZAZTESA-N 2 1 340.512 1.326 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000247253421 535121132 /nfs/dbraw/zinc/12/11/32/535121132.db2.gz PUXHSMJNQWNUMG-DLBZAZTESA-N 2 1 340.512 1.326 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000247253421 535121135 /nfs/dbraw/zinc/12/11/35/535121135.db2.gz PUXHSMJNQWNUMG-DLBZAZTESA-N 2 1 340.512 1.326 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247445723 535160403 /nfs/dbraw/zinc/16/04/03/535160403.db2.gz YDFWRFNWSZQTCC-CABCVRRESA-N 2 1 349.479 1.545 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247445723 535160407 /nfs/dbraw/zinc/16/04/07/535160407.db2.gz YDFWRFNWSZQTCC-CABCVRRESA-N 2 1 349.479 1.545 20 0 EDADMP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000236990566 535347505 /nfs/dbraw/zinc/34/75/05/535347505.db2.gz GGLOOMNUBKLAHK-RHSMWYFYSA-N 2 1 335.448 1.522 20 0 EDADMP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000236990566 535347510 /nfs/dbraw/zinc/34/75/10/535347510.db2.gz GGLOOMNUBKLAHK-RHSMWYFYSA-N 2 1 335.448 1.522 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000340374838 535663939 /nfs/dbraw/zinc/66/39/39/535663939.db2.gz POTHDKWNBBFRAD-MJGOQNOKSA-N 2 1 330.476 1.186 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NCC1(COC)CC[NH2+]CC1)c1ccccc1 ZINC000261820031 535759063 /nfs/dbraw/zinc/75/90/63/535759063.db2.gz XTYFVMCIPVGTTK-QGZVFWFLSA-N 2 1 333.476 1.812 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000246288369 535763197 /nfs/dbraw/zinc/76/31/97/535763197.db2.gz ALNRTHQYWBHICS-HKUYNNGSSA-N 2 1 346.519 1.679 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000333716286 536052056 /nfs/dbraw/zinc/05/20/56/536052056.db2.gz TWOVMPBBPREXMT-KRWDZBQOSA-N 2 1 348.495 1.262 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000333716286 536052063 /nfs/dbraw/zinc/05/20/63/536052063.db2.gz TWOVMPBBPREXMT-KRWDZBQOSA-N 2 1 348.495 1.262 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)c1ccccc1Cl ZINC000261605553 536131062 /nfs/dbraw/zinc/13/10/62/536131062.db2.gz AMTAECQJTGRBCV-HOTGVXAUSA-N 2 1 339.867 1.813 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000237140000 536372599 /nfs/dbraw/zinc/37/25/99/536372599.db2.gz FYMWKNCYPADWJE-FQEVSTJZSA-N 2 1 344.503 1.799 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC000246927961 536378433 /nfs/dbraw/zinc/37/84/33/536378433.db2.gz NDWUBFLRBVKRAS-SJLPKXTDSA-N 2 1 334.508 1.987 20 0 EDADMP COCCOc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000262122187 536707808 /nfs/dbraw/zinc/70/78/08/536707808.db2.gz XIZQTWNMVVGCRS-KRWDZBQOSA-N 2 1 349.475 1.531 20 0 EDADMP COCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262014613 536718204 /nfs/dbraw/zinc/71/82/04/536718204.db2.gz VVUFZEGMCKYFDY-OTWHNJEPSA-N 2 1 334.460 1.959 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCC[NH2+]3)C2)cc(OC)c1 ZINC000237307237 536770182 /nfs/dbraw/zinc/77/01/82/536770182.db2.gz HUIBPPJIFSFNQQ-MAUKXSAKSA-N 2 1 347.459 1.536 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCC[NH2+]3)C2)cc(OC)c1 ZINC000237307237 536770189 /nfs/dbraw/zinc/77/01/89/536770189.db2.gz HUIBPPJIFSFNQQ-MAUKXSAKSA-N 2 1 347.459 1.536 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000743978492 579496002 /nfs/dbraw/zinc/49/60/02/579496002.db2.gz JDTGKVCRLQWZMV-CQSZACIVSA-N 2 1 332.448 1.287 20 0 EDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000759965867 580020562 /nfs/dbraw/zinc/02/05/62/580020562.db2.gz JAXQSDDVYOPZHE-OAHLLOKOSA-N 2 1 325.478 1.293 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000732677805 578723030 /nfs/dbraw/zinc/72/30/30/578723030.db2.gz ZCQYUULSNQSYII-NXOAAHMSSA-N 2 1 336.480 1.118 20 0 EDADMP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000732677805 578723031 /nfs/dbraw/zinc/72/30/31/578723031.db2.gz ZCQYUULSNQSYII-NXOAAHMSSA-N 2 1 336.480 1.118 20 0 EDADMP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000732677805 578723032 /nfs/dbraw/zinc/72/30/32/578723032.db2.gz ZCQYUULSNQSYII-NXOAAHMSSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H](CNC(=S)NCC(C)(C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000737459842 579094229 /nfs/dbraw/zinc/09/42/29/579094229.db2.gz JNLRKGLFEYYMLX-AWEZNQCLSA-N 2 1 330.542 1.007 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCOC1CCC1 ZINC000745906920 579567246 /nfs/dbraw/zinc/56/72/46/579567246.db2.gz TVKXJAYFZQOPEH-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@@H]1C ZINC000748972216 579708897 /nfs/dbraw/zinc/70/88/97/579708897.db2.gz WWRUTWVOBLKOLV-LUKYLMHMSA-N 2 1 338.496 1.364 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@@H]1C ZINC000748972216 579708898 /nfs/dbraw/zinc/70/88/98/579708898.db2.gz WWRUTWVOBLKOLV-LUKYLMHMSA-N 2 1 338.496 1.364 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@@H]1C ZINC000748972216 579708899 /nfs/dbraw/zinc/70/88/99/579708899.db2.gz WWRUTWVOBLKOLV-LUKYLMHMSA-N 2 1 338.496 1.364 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1)CC(F)(F)F ZINC000749118093 579713702 /nfs/dbraw/zinc/71/37/02/579713702.db2.gz XJCPOHFAYOZCAW-GJZGRUSLSA-N 2 1 337.430 1.649 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000749587216 579731645 /nfs/dbraw/zinc/73/16/45/579731645.db2.gz ROZDUOWMANMJSK-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP COc1cccc(OCC[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000751959175 579830575 /nfs/dbraw/zinc/83/05/75/579830575.db2.gz QTDHNEWIQMAPOY-UHFFFAOYSA-N 2 1 333.476 1.787 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000752106919 579838555 /nfs/dbraw/zinc/83/85/55/579838555.db2.gz LXCUUUKKOGZNPJ-KRWDZBQOSA-N 2 1 334.464 1.685 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C(=O)NC4(CCCCC4)C3=O)C2)CC1 ZINC000755779000 579934803 /nfs/dbraw/zinc/93/48/03/579934803.db2.gz HJKKEEKCGWZFKU-MRXNPFEDSA-N 2 1 348.491 1.862 20 0 EDADMP CCCS(=O)(=O)N1CCC([NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000759134766 579999392 /nfs/dbraw/zinc/99/93/92/579999392.db2.gz JQTPGIYVDBNZJI-UHFFFAOYSA-N 2 1 340.493 1.441 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764066481 580112595 /nfs/dbraw/zinc/11/25/95/580112595.db2.gz CWUPDCLNEQEJNU-SJLPKXTDSA-N 2 1 347.507 1.456 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000775379055 580389713 /nfs/dbraw/zinc/38/97/13/580389713.db2.gz DFCUHGNEAMICIJ-VNHYZAJKSA-N 2 1 329.535 1.120 20 0 EDADMP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000775743065 580399283 /nfs/dbraw/zinc/39/92/83/580399283.db2.gz BVMDZOKMNQMVRQ-SFHVURJKSA-N 2 1 336.451 1.652 20 0 EDADMP CCCN(CCC)C(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779651786 580492946 /nfs/dbraw/zinc/49/29/46/580492946.db2.gz FKGXLCJLQFWLKA-AWEZNQCLSA-N 2 1 328.457 1.243 20 0 EDADMP CCCN(CCC)C(=O)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779651786 580492947 /nfs/dbraw/zinc/49/29/47/580492947.db2.gz FKGXLCJLQFWLKA-AWEZNQCLSA-N 2 1 328.457 1.243 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC=CO1 ZINC000780748198 580532854 /nfs/dbraw/zinc/53/28/54/580532854.db2.gz KQXXZONUUJBXAO-IAGOWNOFSA-N 2 1 338.496 1.737 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2nnc3n2CCCCC3)C1 ZINC000788506898 580723065 /nfs/dbraw/zinc/72/30/65/580723065.db2.gz YZUPJQFOJQUDGR-CYBMUJFWSA-N 2 1 336.440 1.112 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2nnc3n2CCCCC3)C1 ZINC000788506898 580723066 /nfs/dbraw/zinc/72/30/66/580723066.db2.gz YZUPJQFOJQUDGR-CYBMUJFWSA-N 2 1 336.440 1.112 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000793946888 580861519 /nfs/dbraw/zinc/86/15/19/580861519.db2.gz NDTRGNKKLMMRKW-UHFFFAOYSA-N 2 1 333.480 1.771 20 0 EDADMP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000893046950 590634976 /nfs/dbraw/zinc/63/49/76/590634976.db2.gz ISSYLKPXUKTBLR-YTQUADARSA-N 2 1 336.476 1.511 20 0 EDADMP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000893046950 590634980 /nfs/dbraw/zinc/63/49/80/590634980.db2.gz ISSYLKPXUKTBLR-YTQUADARSA-N 2 1 336.476 1.511 20 0 EDADMP C[C@@H](O)c1cccc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000891830334 590643233 /nfs/dbraw/zinc/64/32/33/590643233.db2.gz FTOGLGRJVWESQG-CQSZACIVSA-N 2 1 332.448 1.125 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)[NH+]1CCc2ccccc2C1 ZINC000892019895 590750767 /nfs/dbraw/zinc/75/07/67/590750767.db2.gz PVCUPVNKHRQKSN-MNEFBYGVSA-N 2 1 342.487 1.779 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000892049758 590772180 /nfs/dbraw/zinc/77/21/80/590772180.db2.gz YNLWJZMFNHMBCP-ZTFGCOKTSA-N 2 1 330.476 1.791 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000892062597 590778097 /nfs/dbraw/zinc/77/80/97/590778097.db2.gz CHSUQZCYOVWTHM-GXTWGEPZSA-N 2 1 332.439 1.910 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000892077694 590788668 /nfs/dbraw/zinc/78/86/68/590788668.db2.gz KAWZWPQYVPIUAK-NJAFHUGGSA-N 2 1 330.476 1.867 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)CCSC1 ZINC000893415878 590855907 /nfs/dbraw/zinc/85/59/07/590855907.db2.gz HHGFDXXMMOFXJQ-LZWOXQAQSA-N 2 1 326.510 1.302 20 0 EDADMP CCc1c[nH]c2nc[nH+]c(NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)c12 ZINC000892275185 590906700 /nfs/dbraw/zinc/90/67/00/590906700.db2.gz YTEYCENASYAJBS-ZDUSSCGKSA-N 2 1 330.436 1.471 20 0 EDADMP CCc1c[nH]c2nc[nH+]c(NCCC[N@H+]3CCC[C@H](C(N)=O)C3)c12 ZINC000892275185 590906702 /nfs/dbraw/zinc/90/67/02/590906702.db2.gz YTEYCENASYAJBS-ZDUSSCGKSA-N 2 1 330.436 1.471 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000909397157 590942067 /nfs/dbraw/zinc/94/20/67/590942067.db2.gz OGPFJXQLFCHPGI-DLBZAZTESA-N 2 1 336.524 1.536 20 0 EDADMP [NH3+][C@@H](CCNC(=O)NC[C@H]1CCC[N@H+]1CCCO)Cc1ccccc1 ZINC000892407916 591015346 /nfs/dbraw/zinc/01/53/46/591015346.db2.gz JAIQXVOLNGAYLF-ZWKOTPCHSA-N 2 1 348.491 1.093 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000893765728 591088214 /nfs/dbraw/zinc/08/82/14/591088214.db2.gz ZLKDQAMPMVLZCK-JYJNAYRXSA-N 2 1 326.485 1.079 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000893765728 591088219 /nfs/dbraw/zinc/08/82/19/591088219.db2.gz ZLKDQAMPMVLZCK-JYJNAYRXSA-N 2 1 326.485 1.079 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538919 591113277 /nfs/dbraw/zinc/11/32/77/591113277.db2.gz WVYJUZAJJIGPRO-HZPDHXFCSA-N 2 1 338.496 1.319 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H]([NH3+])C[C@H]2C)[C@@H](C)C1 ZINC000891563876 591127285 /nfs/dbraw/zinc/12/72/85/591127285.db2.gz JLENDXMETQGNCM-JJXSEGSLSA-N 2 1 326.485 1.255 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000891751941 591210910 /nfs/dbraw/zinc/21/09/10/591210910.db2.gz AZJWSVGMBOBPDT-KRWDZBQOSA-N 2 1 341.544 1.336 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1=CC[N@@H+](C)CC1 ZINC000891766433 591216602 /nfs/dbraw/zinc/21/66/02/591216602.db2.gz UDQJOCRERCFCLH-CYZMBNFOSA-N 2 1 334.386 1.415 20 0 EDADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000840504243 591231766 /nfs/dbraw/zinc/23/17/66/591231766.db2.gz OXCYPUCYEAJLRL-OAHLLOKOSA-N 2 1 327.469 1.062 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000840504243 591231767 /nfs/dbraw/zinc/23/17/67/591231767.db2.gz OXCYPUCYEAJLRL-OAHLLOKOSA-N 2 1 327.469 1.062 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000840504243 591231768 /nfs/dbraw/zinc/23/17/68/591231768.db2.gz OXCYPUCYEAJLRL-OAHLLOKOSA-N 2 1 327.469 1.062 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000840504243 591231769 /nfs/dbraw/zinc/23/17/69/591231769.db2.gz OXCYPUCYEAJLRL-OAHLLOKOSA-N 2 1 327.469 1.062 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000897429102 591409409 /nfs/dbraw/zinc/40/94/09/591409409.db2.gz ZOKCBVVAHLXAJD-INIZCTEOSA-N 2 1 338.496 1.082 20 0 EDADMP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000898579539 591420842 /nfs/dbraw/zinc/42/08/42/591420842.db2.gz QDLAGINMQQNFFW-IBGZPJMESA-N 2 1 335.492 1.480 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000897437022 591427386 /nfs/dbraw/zinc/42/73/86/591427386.db2.gz FNXKKEYOTXAIBZ-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000897466109 591466730 /nfs/dbraw/zinc/46/67/30/591466730.db2.gz OCVAPRKYEMBJAR-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)NCC[N@H+]3CCC[C@H]3C)CC2)c1 ZINC000897480214 591485735 /nfs/dbraw/zinc/48/57/35/591485735.db2.gz UANKCLKWKDOQNI-OAHLLOKOSA-N 2 1 347.463 1.406 20 0 EDADMP CSC1(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)CC[NH+](C)CC1 ZINC000894951251 591497041 /nfs/dbraw/zinc/49/70/41/591497041.db2.gz JQIMYBBGLJHIJE-GJZGRUSLSA-N 2 1 340.537 1.692 20 0 EDADMP C[N@@H+]1CCCC[C@H](CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000897544310 591544067 /nfs/dbraw/zinc/54/40/67/591544067.db2.gz NKCKACXFDPRFRD-IAGOWNOFSA-N 2 1 338.496 1.225 20 0 EDADMP C[N@H+]1CCCC[C@H](CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000897544310 591544069 /nfs/dbraw/zinc/54/40/69/591544069.db2.gz NKCKACXFDPRFRD-IAGOWNOFSA-N 2 1 338.496 1.225 20 0 EDADMP C[N@H+]1CCCC[C@H](CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000897548748 591547521 /nfs/dbraw/zinc/54/75/21/591547521.db2.gz NFKHSSLBMLVRRZ-SJORKVTESA-N 2 1 338.496 1.082 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897548721 591547664 /nfs/dbraw/zinc/54/76/64/591547664.db2.gz MQSTYIDZCJBVQS-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[NH+]4CCSC[C@H]34)C[C@]2(C)C1 ZINC000896610953 591548088 /nfs/dbraw/zinc/54/80/88/591548088.db2.gz ZQHOSTLCGRKFLF-ANQUJSFKSA-N 2 1 338.521 1.159 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)C[C@]2(C)C1 ZINC000896610953 591548090 /nfs/dbraw/zinc/54/80/90/591548090.db2.gz ZQHOSTLCGRKFLF-ANQUJSFKSA-N 2 1 338.521 1.159 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[N@H+]4CCSC[C@H]34)C[C@]2(C)C1 ZINC000896610953 591548093 /nfs/dbraw/zinc/54/80/93/591548093.db2.gz ZQHOSTLCGRKFLF-ANQUJSFKSA-N 2 1 338.521 1.159 20 0 EDADMP CN(C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)[C@H]1CCC[N@@H+](C)C1 ZINC000896608971 591552018 /nfs/dbraw/zinc/55/20/18/591552018.db2.gz KPCAIKWCAVJEKB-SOUVJXGZSA-N 2 1 326.510 1.302 20 0 EDADMP CN(C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)[C@H]1CCC[NH+](C)C1 ZINC000896608971 591552019 /nfs/dbraw/zinc/55/20/19/591552019.db2.gz KPCAIKWCAVJEKB-SOUVJXGZSA-N 2 1 326.510 1.302 20 0 EDADMP CN(C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)[C@H]1CCC[NH+](C)C1 ZINC000896608971 591552021 /nfs/dbraw/zinc/55/20/21/591552021.db2.gz KPCAIKWCAVJEKB-SOUVJXGZSA-N 2 1 326.510 1.302 20 0 EDADMP C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000896949544 591692521 /nfs/dbraw/zinc/69/25/21/591692521.db2.gz SCBSWFKLHWLPNA-QGZVFWFLSA-N 2 1 345.447 1.973 20 0 EDADMP C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000896949544 591692524 /nfs/dbraw/zinc/69/25/24/591692524.db2.gz SCBSWFKLHWLPNA-QGZVFWFLSA-N 2 1 345.447 1.973 20 0 EDADMP Cc1cc(NCCNC(=O)C2CN([C@@H]3CCOC3)C2)nc(C(C)C)n1 ZINC000899135465 591704371 /nfs/dbraw/zinc/70/43/71/591704371.db2.gz CQNCQONBXNXTSG-OAHLLOKOSA-N 2 1 347.463 1.157 20 0 EDADMP C[N@H+]1C[C@@H]2CN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)C[C@]2(C)C1 ZINC000899251997 591750164 /nfs/dbraw/zinc/75/01/64/591750164.db2.gz FXJPXFLPEQTZCX-GJYPPUQNSA-N 2 1 327.428 1.198 20 0 EDADMP CN1C[C@@H]2C[N@@H+]([C@H]3CC(=O)N(Cc4ccccc4)C3=O)C[C@]2(C)C1 ZINC000899251997 591750169 /nfs/dbraw/zinc/75/01/69/591750169.db2.gz FXJPXFLPEQTZCX-GJYPPUQNSA-N 2 1 327.428 1.198 20 0 EDADMP CN1C[C@@H]2C[N@H+]([C@H]3CC(=O)N(Cc4ccccc4)C3=O)C[C@]2(C)C1 ZINC000899251997 591750176 /nfs/dbraw/zinc/75/01/76/591750176.db2.gz FXJPXFLPEQTZCX-GJYPPUQNSA-N 2 1 327.428 1.198 20 0 EDADMP CC1(C)CC[N@@H+](CCNC2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000898034974 591763375 /nfs/dbraw/zinc/76/33/75/591763375.db2.gz FEPCLVUJLHLJNT-UHFFFAOYSA-N 2 1 338.540 1.105 20 0 EDADMP O=c1c(CNC[C@@H]2CC[N@@H+]2C2CCOCC2)cccn1C(F)F ZINC000897228301 591779157 /nfs/dbraw/zinc/77/91/57/591779157.db2.gz JUNBPAQTEUTULS-AWEZNQCLSA-N 2 1 327.375 1.586 20 0 EDADMP O=c1c(CNC[C@@H]2CC[N@H+]2C2CCOCC2)cccn1C(F)F ZINC000897228301 591779158 /nfs/dbraw/zinc/77/91/58/591779158.db2.gz JUNBPAQTEUTULS-AWEZNQCLSA-N 2 1 327.375 1.586 20 0 EDADMP Cc1nc(C2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)[nH]c1C ZINC000899507957 591834425 /nfs/dbraw/zinc/83/44/25/591834425.db2.gz IPXCSGZLUFRSDC-INIZCTEOSA-N 2 1 331.464 1.122 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900219128 591947476 /nfs/dbraw/zinc/94/74/76/591947476.db2.gz RFHILMGEEINQQN-CALCHBBNSA-N 2 1 349.523 1.933 20 0 EDADMP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)c1 ZINC000900252236 591960638 /nfs/dbraw/zinc/96/06/38/591960638.db2.gz QLJGZCHJZUWAKD-HXUWFJFHSA-N 2 1 347.503 1.991 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCC23CC[NH+](C)CC3)cc1 ZINC000899909642 591977269 /nfs/dbraw/zinc/97/72/69/591977269.db2.gz FZCUZFYQHJAYAC-QGZVFWFLSA-N 2 1 347.459 1.555 20 0 EDADMP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)C2([NH3+])CC2)cc1 ZINC000902348497 591977819 /nfs/dbraw/zinc/97/78/19/591977819.db2.gz NDGYINAKAOKKOR-CYBMUJFWSA-N 2 1 325.478 1.484 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900433016 592017064 /nfs/dbraw/zinc/01/70/64/592017064.db2.gz CGLZWMIUOWURCR-LJQANCHMSA-N 2 1 349.475 1.090 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CO[NH+]=C(N)CCC(F)(F)F)CC1 ZINC000902611259 592025592 /nfs/dbraw/zinc/02/55/92/592025592.db2.gz IVPRZSPKVSZANN-UHFFFAOYSA-N 2 1 338.374 1.816 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccnn1CC[NH+](C)C ZINC000900469150 592027195 /nfs/dbraw/zinc/02/71/95/592027195.db2.gz ZRNLRRCAQLKUPD-INIZCTEOSA-N 2 1 335.496 1.829 20 0 EDADMP C[C@]12CSC[C@H]1C[N@H+](CN1C[C@@]3(C[NH+]4CCC3CC4)OC1=O)C2 ZINC000902675376 592041174 /nfs/dbraw/zinc/04/11/74/592041174.db2.gz TZEGAPQIAIHBSZ-HYVNUMGLSA-N 2 1 337.489 1.545 20 0 EDADMP C[C@]12CSC[C@H]1C[N@@H+](CN1C[C@@]3(C[NH+]4CCC3CC4)OC1=O)C2 ZINC000902675376 592041176 /nfs/dbraw/zinc/04/11/76/592041176.db2.gz TZEGAPQIAIHBSZ-HYVNUMGLSA-N 2 1 337.489 1.545 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)C2CC[NH+](CC)CC2)C1 ZINC000900517137 592043284 /nfs/dbraw/zinc/04/32/84/592043284.db2.gz HDMWSBZWOLPSBC-OAHLLOKOSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CC[NH+](CC)CC2)C1 ZINC000900517137 592043287 /nfs/dbraw/zinc/04/32/87/592043287.db2.gz HDMWSBZWOLPSBC-OAHLLOKOSA-N 2 1 339.480 1.204 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000900563579 592053446 /nfs/dbraw/zinc/05/34/46/592053446.db2.gz YJZONEQDHIDQEV-LMMKCTJWSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902789324 592064475 /nfs/dbraw/zinc/06/44/75/592064475.db2.gz DXRMAVHGWJYYQC-GFCCVEGCSA-N 2 1 344.381 1.915 20 0 EDADMP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900696493 592089033 /nfs/dbraw/zinc/08/90/33/592089033.db2.gz SZOZAERUXCCCNE-FGTMMUONSA-N 2 1 336.524 1.393 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900696493 592089035 /nfs/dbraw/zinc/08/90/35/592089035.db2.gz SZOZAERUXCCCNE-FGTMMUONSA-N 2 1 336.524 1.393 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900696493 592089036 /nfs/dbraw/zinc/08/90/36/592089036.db2.gz SZOZAERUXCCCNE-FGTMMUONSA-N 2 1 336.524 1.393 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900682778 592092980 /nfs/dbraw/zinc/09/29/80/592092980.db2.gz HUCPHQODPPHBCT-ZWKOTPCHSA-N 3 1 338.540 1.735 20 0 EDADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C(=O)N1c1cnn(C)c1 ZINC000903136928 592125615 /nfs/dbraw/zinc/12/56/15/592125615.db2.gz HMOLBXFVZDHAEF-HLYZTZAFSA-N 2 1 343.475 1.661 20 0 EDADMP FC(F)(F)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N1CCOCC1 ZINC000903172478 592129736 /nfs/dbraw/zinc/12/97/36/592129736.db2.gz ZBORZIWLKJMZJS-WDVRLDOZSA-N 2 1 347.425 1.997 20 0 EDADMP FC(F)(F)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N1CCOCC1 ZINC000903172478 592129737 /nfs/dbraw/zinc/12/97/37/592129737.db2.gz ZBORZIWLKJMZJS-WDVRLDOZSA-N 2 1 347.425 1.997 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[NH+](C)CCN1C ZINC000900809938 592131534 /nfs/dbraw/zinc/13/15/34/592131534.db2.gz FPEGVTJTIJLPHB-LULLPPNCSA-N 2 1 344.503 1.082 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1C[N@H+](C)CCN1C ZINC000900809938 592131535 /nfs/dbraw/zinc/13/15/35/592131535.db2.gz FPEGVTJTIJLPHB-LULLPPNCSA-N 2 1 344.503 1.082 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900809938 592131536 /nfs/dbraw/zinc/13/15/36/592131536.db2.gz FPEGVTJTIJLPHB-LULLPPNCSA-N 2 1 344.503 1.082 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@]2(CO)COCCN2C)cc1 ZINC000903277530 592149985 /nfs/dbraw/zinc/14/99/85/592149985.db2.gz BEXUYCPUPYNBCP-BEFAXECRSA-N 2 1 344.459 1.524 20 0 EDADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900900996 592165178 /nfs/dbraw/zinc/16/51/78/592165178.db2.gz NLFXCJFUVSFSCB-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000900900996 592165181 /nfs/dbraw/zinc/16/51/81/592165181.db2.gz NLFXCJFUVSFSCB-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000900900996 592165183 /nfs/dbraw/zinc/16/51/83/592165183.db2.gz NLFXCJFUVSFSCB-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903485131 592177467 /nfs/dbraw/zinc/17/74/67/592177467.db2.gz IVBZTSWZSZACCB-HNNXBMFYSA-N 2 1 330.432 1.378 20 0 EDADMP CC(C)(C)n1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)nn1 ZINC000903505482 592181957 /nfs/dbraw/zinc/18/19/57/592181957.db2.gz DDFDAEUWYPSTGO-CALCHBBNSA-N 2 1 332.496 1.434 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000901026909 592203707 /nfs/dbraw/zinc/20/37/07/592203707.db2.gz QNERNOYYQHFKGU-WMZOPIPTSA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000901026909 592203711 /nfs/dbraw/zinc/20/37/11/592203711.db2.gz QNERNOYYQHFKGU-WMZOPIPTSA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000901026909 592203713 /nfs/dbraw/zinc/20/37/13/592203713.db2.gz QNERNOYYQHFKGU-WMZOPIPTSA-N 2 1 336.524 1.392 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cc1 ZINC000903562002 592210665 /nfs/dbraw/zinc/21/06/65/592210665.db2.gz UOHPBAXMGLFHCY-GJYPPUQNSA-N 2 1 347.459 1.948 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906669111 592250565 /nfs/dbraw/zinc/25/05/65/592250565.db2.gz QCEICRUEGLIERD-MRXNPFEDSA-N 2 1 346.475 1.760 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416934 592252781 /nfs/dbraw/zinc/25/27/81/592252781.db2.gz UJESUHNUMOWFKH-SJLPKXTDSA-N 2 1 346.523 1.804 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000906677116 592257870 /nfs/dbraw/zinc/25/78/70/592257870.db2.gz JTQJCOIANSFNKB-QZTJIDSGSA-N 2 1 338.540 1.498 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000906677116 592257875 /nfs/dbraw/zinc/25/78/75/592257875.db2.gz JTQJCOIANSFNKB-QZTJIDSGSA-N 2 1 338.540 1.498 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000906677116 592257880 /nfs/dbraw/zinc/25/78/80/592257880.db2.gz JTQJCOIANSFNKB-QZTJIDSGSA-N 2 1 338.540 1.498 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000904530489 592280232 /nfs/dbraw/zinc/28/02/32/592280232.db2.gz NDQWCKONHRSBIX-MLHJIOFPSA-N 2 1 344.459 1.564 20 0 EDADMP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903751681 592295427 /nfs/dbraw/zinc/29/54/27/592295427.db2.gz IEJSWLKLCKNXEI-UONOGXRCSA-N 2 1 325.478 1.717 20 0 EDADMP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903751681 592295430 /nfs/dbraw/zinc/29/54/30/592295430.db2.gz IEJSWLKLCKNXEI-UONOGXRCSA-N 2 1 325.478 1.717 20 0 EDADMP CC(C)COC(=O)N1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903751616 592295688 /nfs/dbraw/zinc/29/56/88/592295688.db2.gz HKMSFTXPSRRRFF-WMZOPIPTSA-N 2 1 339.480 1.555 20 0 EDADMP c1nc(CN2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cs1 ZINC000903736728 592298811 /nfs/dbraw/zinc/29/88/11/592298811.db2.gz LMDRUWPBYLXTSU-INIZCTEOSA-N 2 1 336.505 1.419 20 0 EDADMP Cc1nc(CN2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cs1 ZINC000903738155 592300507 /nfs/dbraw/zinc/30/05/07/592300507.db2.gz YTAWGPGXQGMHBR-IAGOWNOFSA-N 2 1 336.505 1.338 20 0 EDADMP CCc1cnc(N2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)s1 ZINC000903739540 592301255 /nfs/dbraw/zinc/30/12/55/592301255.db2.gz LPFZRYQALHNDKA-RHSMWYFYSA-N 2 1 336.505 1.596 20 0 EDADMP Cc1noc([C@H](C)N2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903739350 592301464 /nfs/dbraw/zinc/30/14/64/592301464.db2.gz HUKVDGIZPXKHRS-GOEBONIOSA-N 2 1 349.479 1.215 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000901260277 592316211 /nfs/dbraw/zinc/31/62/11/592316211.db2.gz YNRCQEAWIQXHPQ-KRWDZBQOSA-N 2 1 338.540 1.591 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000901291171 592327107 /nfs/dbraw/zinc/32/71/07/592327107.db2.gz HABKKHLRMFVFQC-IEBWSBKVSA-N 2 1 331.460 1.719 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000901291171 592327112 /nfs/dbraw/zinc/32/71/12/592327112.db2.gz HABKKHLRMFVFQC-IEBWSBKVSA-N 2 1 331.460 1.719 20 0 EDADMP C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1(C[NH3+])CCOCC1 ZINC000903810008 592331016 /nfs/dbraw/zinc/33/10/16/592331016.db2.gz QFQNOCILMNTJRR-CQSZACIVSA-N 2 1 328.840 1.519 20 0 EDADMP C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1(C[NH3+])CCOCC1 ZINC000903810008 592331019 /nfs/dbraw/zinc/33/10/19/592331019.db2.gz QFQNOCILMNTJRR-CQSZACIVSA-N 2 1 328.840 1.519 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCCc3cc(CC[NH3+])ccc32)CC1 ZINC000903871638 592354963 /nfs/dbraw/zinc/35/49/63/592354963.db2.gz YANKWRQCXIPSIY-MRXNPFEDSA-N 2 1 344.503 1.493 20 0 EDADMP CCO[C@@H]1C[C@H]([N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)C12CCC2 ZINC000903898926 592368551 /nfs/dbraw/zinc/36/85/51/592368551.db2.gz PNYRALAKIOWJOW-BHYGNILZSA-N 2 1 333.480 1.982 20 0 EDADMP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)C12CCC2 ZINC000903898926 592368556 /nfs/dbraw/zinc/36/85/56/592368556.db2.gz PNYRALAKIOWJOW-BHYGNILZSA-N 2 1 333.480 1.982 20 0 EDADMP CC(=O)N(C[C@H]1CCC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903915450 592370552 /nfs/dbraw/zinc/37/05/52/592370552.db2.gz YSDFXFYRMRJLSP-QFBILLFUSA-N 2 1 347.507 1.321 20 0 EDADMP Cc1cnn(CC2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000903904404 592372942 /nfs/dbraw/zinc/37/29/42/592372942.db2.gz UGYCOYOFBVOCGX-QGZVFWFLSA-N 2 1 343.479 1.620 20 0 EDADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@H](O)C3(O)CCC3)cc2)CC1 ZINC000905049746 592379852 /nfs/dbraw/zinc/37/98/52/592379852.db2.gz PVPANJLZFYFHDO-IBGZPJMESA-N 2 1 347.503 1.190 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905050563 592381104 /nfs/dbraw/zinc/38/11/04/592381104.db2.gz PKTUJONNWWAYLJ-GOSISDBHSA-N 2 1 336.476 1.519 20 0 EDADMP OCC1(C[C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1 ZINC000905109579 592410757 /nfs/dbraw/zinc/41/07/57/592410757.db2.gz IPZNSSJSGSXQIH-MSOLQXFVSA-N 2 1 340.508 1.523 20 0 EDADMP O[C@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)C[C@H](O)c1ccccc1 ZINC000905093886 592419311 /nfs/dbraw/zinc/41/93/11/592419311.db2.gz NJWWTQNFOPLCDW-OALUTQOASA-N 2 1 348.487 1.706 20 0 EDADMP C[NH2+]CCOc1cccc(-c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)c1 ZINC000904098575 592425031 /nfs/dbraw/zinc/42/50/31/592425031.db2.gz BYDWKXSPOUOHKC-ZBFHGGJFSA-N 2 1 344.415 1.871 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000907000238 592470401 /nfs/dbraw/zinc/47/04/01/592470401.db2.gz WJRORUYMMIICDS-MRXNPFEDSA-N 2 1 325.497 1.460 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905347716 592501969 /nfs/dbraw/zinc/50/19/69/592501969.db2.gz BHYHINNHTXYXSK-IRXDYDNUSA-N 2 1 328.497 1.259 20 0 EDADMP C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)O2)CO1 ZINC000905484686 592539444 /nfs/dbraw/zinc/53/94/44/592539444.db2.gz JLOHBPLZXJICSX-VBSBHUPXSA-N 2 1 348.487 1.796 20 0 EDADMP C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)O2)CO1 ZINC000905484686 592539445 /nfs/dbraw/zinc/53/94/45/592539445.db2.gz JLOHBPLZXJICSX-VBSBHUPXSA-N 2 1 348.487 1.796 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)cn1 ZINC000908572446 592544073 /nfs/dbraw/zinc/54/40/73/592544073.db2.gz WLLHQJZSACVDNF-UHFFFAOYSA-N 2 1 333.480 1.535 20 0 EDADMP CC(C)O[C@]1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000905557205 592565835 /nfs/dbraw/zinc/56/58/35/592565835.db2.gz NECQGVWPJOFDHQ-PMACEKPBSA-N 2 1 348.487 1.797 20 0 EDADMP CC(C)O[C@]1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000905557205 592565837 /nfs/dbraw/zinc/56/58/37/592565837.db2.gz NECQGVWPJOFDHQ-PMACEKPBSA-N 2 1 348.487 1.797 20 0 EDADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000907306939 592578990 /nfs/dbraw/zinc/57/89/90/592578990.db2.gz QTSBYQZGNWUQAF-MJGOQNOKSA-N 2 1 339.524 1.802 20 0 EDADMP c1nc(N2CCCC2)cc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000905705409 592617562 /nfs/dbraw/zinc/61/75/62/592617562.db2.gz WSWRXVDWPHRHLL-CALCHBBNSA-N 2 1 342.491 1.482 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000907690556 592758963 /nfs/dbraw/zinc/75/89/63/592758963.db2.gz ZUINPSIRIWKGQS-HZPDHXFCSA-N 2 1 331.464 1.522 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000907690556 592758966 /nfs/dbraw/zinc/75/89/66/592758966.db2.gz ZUINPSIRIWKGQS-HZPDHXFCSA-N 2 1 331.464 1.522 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906337608 592798518 /nfs/dbraw/zinc/79/85/18/592798518.db2.gz CWHGMZSJWWWHQJ-UHFFFAOYSA-N 2 1 326.529 1.306 20 0 EDADMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cnccn1 ZINC000906385447 592814666 /nfs/dbraw/zinc/81/46/66/592814666.db2.gz PXYBDMSPQUEWLN-ZDUSSCGKSA-N 2 1 326.404 1.366 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000910282992 592820173 /nfs/dbraw/zinc/82/01/73/592820173.db2.gz CVNHZXFFVYUWTE-INIZCTEOSA-N 2 1 345.491 1.390 20 0 EDADMP CC[N@H+]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000910282992 592820175 /nfs/dbraw/zinc/82/01/75/592820175.db2.gz CVNHZXFFVYUWTE-INIZCTEOSA-N 2 1 345.491 1.390 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[NH+](C)C[C@H]2CC)C1 ZINC000907927752 592848832 /nfs/dbraw/zinc/84/88/32/592848832.db2.gz YKSUHMBLVCXMJJ-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[NH+](C)C[C@H]2CC)C1 ZINC000907927752 592848833 /nfs/dbraw/zinc/84/88/33/592848833.db2.gz YKSUHMBLVCXMJJ-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CCC[N@H+](C)C[C@H]2CC)C1 ZINC000907927752 592848837 /nfs/dbraw/zinc/84/88/37/592848837.db2.gz YKSUHMBLVCXMJJ-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CCC[N@@H+](C)C[C@H]2CC)C1 ZINC000907927752 592848839 /nfs/dbraw/zinc/84/88/39/592848839.db2.gz YKSUHMBLVCXMJJ-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000911289273 592992402 /nfs/dbraw/zinc/99/24/02/592992402.db2.gz WOSNXJRDJBHTKP-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000911289273 592992405 /nfs/dbraw/zinc/99/24/05/592992405.db2.gz WOSNXJRDJBHTKP-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@@]1(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C[NH+]2CCC1CC2 ZINC000912380470 593089444 /nfs/dbraw/zinc/08/94/44/593089444.db2.gz UAGRKYCXZHKTPS-FXAWDEMLSA-N 2 1 342.487 1.894 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](CN2CC[C@H](C)C2=O)CC1 ZINC000840039279 593404224 /nfs/dbraw/zinc/40/42/24/593404224.db2.gz UQDBXKVEHZNVTP-INIZCTEOSA-N 2 1 325.497 1.883 20 0 EDADMP CN(CCN1CCOC(C)(C)C1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000811471479 593471540 /nfs/dbraw/zinc/47/15/40/593471540.db2.gz CQBIYQFDLZFKLT-GOSISDBHSA-N 2 1 343.487 1.768 20 0 EDADMP C[NH+](C)C1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000817567605 593613833 /nfs/dbraw/zinc/61/38/33/593613833.db2.gz VNFGFSNYPUEFPT-UHFFFAOYSA-N 2 1 328.526 1.046 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000819043742 593735419 /nfs/dbraw/zinc/73/54/19/593735419.db2.gz VFSYSAWXCWMHMU-KRWDZBQOSA-N 2 1 337.439 1.391 20 0 EDADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)CC[C@@H]21 ZINC000821624999 593886075 /nfs/dbraw/zinc/88/60/75/593886075.db2.gz CKJXNWPMZUACTM-ZBFHGGJFSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)CC[C@@H]21 ZINC000821624999 593886077 /nfs/dbraw/zinc/88/60/77/593886077.db2.gz CKJXNWPMZUACTM-ZBFHGGJFSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)CC[C@@H]21 ZINC000821624999 593886079 /nfs/dbraw/zinc/88/60/79/593886079.db2.gz CKJXNWPMZUACTM-ZBFHGGJFSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)CC[C@@H]21 ZINC000821624999 593886081 /nfs/dbraw/zinc/88/60/81/593886081.db2.gz CKJXNWPMZUACTM-ZBFHGGJFSA-N 2 1 330.411 1.922 20 0 EDADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821159262 593978346 /nfs/dbraw/zinc/97/83/46/593978346.db2.gz ABPUPEDGPIFDHU-BBRMVZONSA-N 2 1 330.436 1.174 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821159262 593978349 /nfs/dbraw/zinc/97/83/49/593978349.db2.gz ABPUPEDGPIFDHU-BBRMVZONSA-N 2 1 330.436 1.174 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821159262 593978351 /nfs/dbraw/zinc/97/83/51/593978351.db2.gz ABPUPEDGPIFDHU-BBRMVZONSA-N 2 1 330.436 1.174 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821159262 593978354 /nfs/dbraw/zinc/97/83/54/593978354.db2.gz ABPUPEDGPIFDHU-BBRMVZONSA-N 2 1 330.436 1.174 20 0 EDADMP C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000822916327 594121654 /nfs/dbraw/zinc/12/16/54/594121654.db2.gz ZJOZWCMGNZYPMU-OCCSQVGLSA-N 2 1 328.420 1.349 20 0 EDADMP Cc1ccccc1CN1CCO[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000825369563 594174418 /nfs/dbraw/zinc/17/44/18/594174418.db2.gz XLLIFLXLIFABMD-MJGOQNOKSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000825369563 594174420 /nfs/dbraw/zinc/17/44/20/594174420.db2.gz XLLIFLXLIFABMD-MJGOQNOKSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000825369563 594174422 /nfs/dbraw/zinc/17/44/22/594174422.db2.gz XLLIFLXLIFABMD-MJGOQNOKSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000825369563 594174424 /nfs/dbraw/zinc/17/44/24/594174424.db2.gz XLLIFLXLIFABMD-MJGOQNOKSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000825369563 594174427 /nfs/dbraw/zinc/17/44/27/594174427.db2.gz XLLIFLXLIFABMD-MJGOQNOKSA-N 2 1 345.487 1.654 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]([NH3+])C3CC3)cc2)C1 ZINC000828139307 594349881 /nfs/dbraw/zinc/34/98/81/594349881.db2.gz PNSBOJZKRDAEGA-NVXWUHKLSA-N 2 1 344.459 1.450 20 0 EDADMP Cc1ccc(CN2CCO[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000826600201 594537119 /nfs/dbraw/zinc/53/71/19/594537119.db2.gz ZUCKPEDPHZGSPW-MOPGFXCFSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccc(CN2CCO[C@H](CNC(=O)[C@@H]3CCCCN3C)C2)cc1 ZINC000826600201 594537120 /nfs/dbraw/zinc/53/71/20/594537120.db2.gz ZUCKPEDPHZGSPW-MOPGFXCFSA-N 2 1 345.487 1.796 20 0 EDADMP [NH3+]CCCCCCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000831138352 594566310 /nfs/dbraw/zinc/56/63/10/594566310.db2.gz RRWBYZWJHJYNIO-CVEARBPZSA-N 2 1 326.485 1.448 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829227983 594584570 /nfs/dbraw/zinc/58/45/70/594584570.db2.gz IJBOKCZDAFFEOD-MRXNPFEDSA-N 2 1 348.491 1.967 20 0 EDADMP COC(=O)c1occc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000826943648 594607316 /nfs/dbraw/zinc/60/73/16/594607316.db2.gz XDMWRGIBUAMAMJ-KRWDZBQOSA-N 2 1 344.411 1.923 20 0 EDADMP COC(=O)c1occc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000826943648 594607317 /nfs/dbraw/zinc/60/73/17/594607317.db2.gz XDMWRGIBUAMAMJ-KRWDZBQOSA-N 2 1 344.411 1.923 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC000829449815 594615711 /nfs/dbraw/zinc/61/57/11/594615711.db2.gz HDMGLTRLOPRSGV-KRWDZBQOSA-N 2 1 333.476 1.770 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000827331007 594661598 /nfs/dbraw/zinc/66/15/98/594661598.db2.gz UUWLKTUMQLUVIB-SFFUCWETSA-N 2 1 337.508 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000827331007 594661599 /nfs/dbraw/zinc/66/15/99/594661599.db2.gz UUWLKTUMQLUVIB-SFFUCWETSA-N 2 1 337.508 1.673 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000841727508 594943936 /nfs/dbraw/zinc/94/39/36/594943936.db2.gz SRXSBKXYLOQOMF-HNNXBMFYSA-N 2 1 330.436 1.748 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000841727131 594943966 /nfs/dbraw/zinc/94/39/66/594943966.db2.gz ORSJKFDUQPSUTP-UKRRQHHQSA-N 2 1 342.447 1.763 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NCc2cccnc2-n2cc[nH+]c2C)C1 ZINC000841726138 594944171 /nfs/dbraw/zinc/94/41/71/594944171.db2.gz GPYNJGUFDPGZBN-HNNXBMFYSA-N 2 1 328.420 1.469 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000841727888 594944631 /nfs/dbraw/zinc/94/46/31/594944631.db2.gz YTWXDEPPGSYNMK-MRXNPFEDSA-N 2 1 342.447 1.907 20 0 EDADMP C[C@H]([NH2+]C1CC1)c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000843207817 595036064 /nfs/dbraw/zinc/03/60/64/595036064.db2.gz GBXVGQYHSQAQHY-LBPRGKRZSA-N 2 1 328.420 1.696 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843353642 595084308 /nfs/dbraw/zinc/08/43/08/595084308.db2.gz GBVIZTXNALMXBM-UHFFFAOYSA-N 2 1 335.448 1.522 20 0 EDADMP COCCS(=O)(=O)CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386303 595096398 /nfs/dbraw/zinc/09/63/98/595096398.db2.gz FJRCSDPFAFXDCX-JKSUJKDBSA-N 2 1 332.510 1.149 20 0 EDADMP Cc1ccc2c(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc(=O)oc2c1C ZINC000842475656 595115217 /nfs/dbraw/zinc/11/52/17/595115217.db2.gz XMVSQERLMLCYBH-KRWDZBQOSA-N 2 1 341.455 1.889 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844178476 595293619 /nfs/dbraw/zinc/29/36/19/595293619.db2.gz WVMYUBRRMJOMKZ-FGTMMUONSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCN([C@@H](c2nc(C3CC[NH2+]CC3)no2)c2ccccc2)CC1 ZINC000843140150 595294748 /nfs/dbraw/zinc/29/47/48/595294748.db2.gz YZQVMTWUIRONRS-QGZVFWFLSA-N 2 1 341.459 1.873 20 0 EDADMP O=C(CC[N@@H+]1CCC[NH2+]CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000844217703 595305123 /nfs/dbraw/zinc/30/51/23/595305123.db2.gz KRIKGLHOGSOWOW-UHFFFAOYSA-N 2 1 332.448 1.147 20 0 EDADMP O=C(CC[N@H+]1CCC[NH2+]CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000844217703 595305125 /nfs/dbraw/zinc/30/51/25/595305125.db2.gz KRIKGLHOGSOWOW-UHFFFAOYSA-N 2 1 332.448 1.147 20 0 EDADMP CC(C)[NH2+]C1CC[NH+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846824563 595322041 /nfs/dbraw/zinc/32/20/41/595322041.db2.gz CVCRFIKMBBIFRW-SFHVURJKSA-N 2 1 341.496 1.821 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccnc(CO)c3)CC2)CC1 ZINC000848372893 595370376 /nfs/dbraw/zinc/37/03/76/595370376.db2.gz HWIKSSSFVSZPTN-UHFFFAOYSA-N 2 1 346.475 1.709 20 0 EDADMP CC(C)OCc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849059045 595476786 /nfs/dbraw/zinc/47/67/86/595476786.db2.gz DSNFWPAIXFSFEN-UHFFFAOYSA-N 2 1 348.491 1.948 20 0 EDADMP COc1cccc(NC(=[NH2+])NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000849072890 595478220 /nfs/dbraw/zinc/47/82/20/595478220.db2.gz OVOAHAWCBYPMAU-ZDUSSCGKSA-N 2 1 333.436 1.219 20 0 EDADMP Cc1ccc(NC(=[NH2+])NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1C ZINC000849072875 595478288 /nfs/dbraw/zinc/47/82/88/595478288.db2.gz OHYFNCATQURUBL-OAHLLOKOSA-N 2 1 331.464 1.827 20 0 EDADMP [NH2+]=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@@H]1CCOc2ccccc21 ZINC000849091109 595480359 /nfs/dbraw/zinc/48/03/59/595480359.db2.gz KOVFGAADYGGZNF-SQWLQELKSA-N 2 1 330.432 1.487 20 0 EDADMP CC1CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849498081 595551384 /nfs/dbraw/zinc/55/13/84/595551384.db2.gz JAPGQAKJUDQBTN-ZWKOTPCHSA-N 2 1 347.507 1.304 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849499476 595551505 /nfs/dbraw/zinc/55/15/05/595551505.db2.gz MQFRESJMNFZFFO-BPQIPLTHSA-N 2 1 347.507 1.304 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849499476 595551507 /nfs/dbraw/zinc/55/15/07/595551507.db2.gz MQFRESJMNFZFFO-BPQIPLTHSA-N 2 1 347.507 1.304 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849499476 595551510 /nfs/dbraw/zinc/55/15/10/595551510.db2.gz MQFRESJMNFZFFO-BPQIPLTHSA-N 2 1 347.507 1.304 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849527055 595558123 /nfs/dbraw/zinc/55/81/23/595558123.db2.gz UFUGDBPOCCCGEG-IAGOWNOFSA-N 2 1 333.480 1.010 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849527055 595558125 /nfs/dbraw/zinc/55/81/25/595558125.db2.gz UFUGDBPOCCCGEG-IAGOWNOFSA-N 2 1 333.480 1.010 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849527055 595558126 /nfs/dbraw/zinc/55/81/26/595558126.db2.gz UFUGDBPOCCCGEG-IAGOWNOFSA-N 2 1 333.480 1.010 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884016 595597501 /nfs/dbraw/zinc/59/75/01/595597501.db2.gz CNJTUNBIFULWOS-ZBFHGGJFSA-N 2 1 330.432 1.213 20 0 EDADMP OCc1cc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc[nH+]1 ZINC000858327501 595765725 /nfs/dbraw/zinc/76/57/25/595765725.db2.gz RYHYPQXTMCGVCS-UHFFFAOYSA-N 2 1 341.411 1.667 20 0 EDADMP C[N@@H+](CCN1CCN(c2cc[nH+]c(CO)c2)CC1)Cc1ccccc1 ZINC000858395206 595784489 /nfs/dbraw/zinc/78/44/89/595784489.db2.gz JKZRMFFFESPQLA-UHFFFAOYSA-N 2 1 340.471 1.828 20 0 EDADMP CCN(C)C(=O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591271 596025266 /nfs/dbraw/zinc/02/52/66/596025266.db2.gz LUJFEPBUHACIDA-KRWDZBQOSA-N 2 1 334.464 1.465 20 0 EDADMP CCN(C)C(=O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591271 596025271 /nfs/dbraw/zinc/02/52/71/596025271.db2.gz LUJFEPBUHACIDA-KRWDZBQOSA-N 2 1 334.464 1.465 20 0 EDADMP CCN(C)C(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856591271 596025273 /nfs/dbraw/zinc/02/52/73/596025273.db2.gz LUJFEPBUHACIDA-KRWDZBQOSA-N 2 1 334.464 1.465 20 0 EDADMP CCN(C)C(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856591271 596025276 /nfs/dbraw/zinc/02/52/76/596025276.db2.gz LUJFEPBUHACIDA-KRWDZBQOSA-N 2 1 334.464 1.465 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@]3(CC=CCC3)C1)C2=O ZINC000114445412 596030101 /nfs/dbraw/zinc/03/01/01/596030101.db2.gz OSBIEOITMCEYFK-GOSISDBHSA-N 2 1 346.475 1.782 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000852075627 596034465 /nfs/dbraw/zinc/03/44/65/596034465.db2.gz LSMAJPFUZOGNFD-HKUYNNGSSA-N 2 1 334.460 1.504 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000852075627 596034469 /nfs/dbraw/zinc/03/44/69/596034469.db2.gz LSMAJPFUZOGNFD-HKUYNNGSSA-N 2 1 334.460 1.504 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000852075627 596034472 /nfs/dbraw/zinc/03/44/72/596034472.db2.gz LSMAJPFUZOGNFD-HKUYNNGSSA-N 2 1 334.460 1.504 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000852075627 596034475 /nfs/dbraw/zinc/03/44/75/596034475.db2.gz LSMAJPFUZOGNFD-HKUYNNGSSA-N 2 1 334.460 1.504 20 0 EDADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NCC[NH+]3CCC(O)CC3)c2)C1 ZINC000857282158 596204526 /nfs/dbraw/zinc/20/45/26/596204526.db2.gz PKCKYDIOMGUDFN-SFHVURJKSA-N 2 1 345.487 1.682 20 0 EDADMP C[NH+](C)C1(C)CCC(NC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000868647276 596258920 /nfs/dbraw/zinc/25/89/20/596258920.db2.gz GHTARCQYVNBESC-UHFFFAOYSA-N 2 1 326.485 1.271 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000866710370 596304378 /nfs/dbraw/zinc/30/43/78/596304378.db2.gz PTHDIQMXPFSCAZ-BMFZPTHFSA-N 2 1 335.379 1.071 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000866712262 596305333 /nfs/dbraw/zinc/30/53/33/596305333.db2.gz SBMBPJJQEQXMLL-NCOADZHNSA-N 2 1 337.464 1.449 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCC(C)([NH+]3CCOCC3)CC2)s1 ZINC000862504444 596338899 /nfs/dbraw/zinc/33/88/99/596338899.db2.gz BYTJLERGXXWKEB-UHFFFAOYSA-N 2 1 338.521 1.891 20 0 EDADMP O=C(CCC12CC(C1)C[NH2+]2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000870858065 596379020 /nfs/dbraw/zinc/37/90/20/596379020.db2.gz JVZULFVTDVAZLC-UHFFFAOYSA-N 2 1 327.472 1.906 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000870865176 596381935 /nfs/dbraw/zinc/38/19/35/596381935.db2.gz HGICZSYMXCYICH-KZNAEPCWSA-N 2 1 344.503 1.831 20 0 EDADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870867746 596383583 /nfs/dbraw/zinc/38/35/83/596383583.db2.gz KYUYEVARISVMTH-UONOGXRCSA-N 2 1 334.489 1.967 20 0 EDADMP [NH3+][C@H]1CC[C@H](C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000870947926 596415495 /nfs/dbraw/zinc/41/54/95/596415495.db2.gz LOPKRQRDTTVHEK-IYARVYRRSA-N 2 1 344.503 1.614 20 0 EDADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000120301779 596420737 /nfs/dbraw/zinc/42/07/37/596420737.db2.gz ONZZIACPUKCLIK-INIZCTEOSA-N 2 1 337.464 1.006 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCCN(CC(F)F)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190900 596441179 /nfs/dbraw/zinc/44/11/79/596441179.db2.gz WDNQWAYDVNNAAI-APIJFGDWSA-N 2 1 347.450 1.577 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CCCN(CC(F)F)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190900 596441181 /nfs/dbraw/zinc/44/11/81/596441181.db2.gz WDNQWAYDVNNAAI-APIJFGDWSA-N 2 1 347.450 1.577 20 0 EDADMP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H](O)c2c[nH]cn2)C1 ZINC000869263558 596466638 /nfs/dbraw/zinc/46/66/38/596466638.db2.gz VLVXOEWDWUMAFT-DOTOQJQBSA-N 2 1 328.416 1.219 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H](O)c2c[nH]cn2)C1 ZINC000869263558 596466639 /nfs/dbraw/zinc/46/66/39/596466639.db2.gz VLVXOEWDWUMAFT-DOTOQJQBSA-N 2 1 328.416 1.219 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1 ZINC000867680822 596492860 /nfs/dbraw/zinc/49/28/60/596492860.db2.gz IPAVOUGUIJGHDA-UHFFFAOYSA-N 2 1 339.505 1.853 20 0 EDADMP COc1cc(C[NH2+]CC2([NH3+])CCOCC2)ccc1OC(=O)C1CC1 ZINC000863481837 596593899 /nfs/dbraw/zinc/59/38/99/596593899.db2.gz MCFAVTDXGATEIE-UHFFFAOYSA-N 2 1 334.416 1.608 20 0 EDADMP C[C@H](NCC1([NH3+])CCOCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000863540982 596613154 /nfs/dbraw/zinc/61/31/54/596613154.db2.gz IJLDCXVJLTXECY-WMZOPIPTSA-N 2 1 333.476 1.373 20 0 EDADMP C[C@H](NCC1([NH3+])CCOCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000863540982 596613155 /nfs/dbraw/zinc/61/31/55/596613155.db2.gz IJLDCXVJLTXECY-WMZOPIPTSA-N 2 1 333.476 1.373 20 0 EDADMP O=C1CCCCN1c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000863551747 596615697 /nfs/dbraw/zinc/61/56/97/596615697.db2.gz QOBLYWZTBOQEPM-GOSISDBHSA-N 2 1 331.460 1.750 20 0 EDADMP CC(C)(O)C[N@@H+]1CC[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000865659413 596641165 /nfs/dbraw/zinc/64/11/65/596641165.db2.gz KAAIXMCRWMZXOT-AWEZNQCLSA-N 2 1 337.430 1.838 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000865659413 596641168 /nfs/dbraw/zinc/64/11/68/596641168.db2.gz KAAIXMCRWMZXOT-AWEZNQCLSA-N 2 1 337.430 1.838 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCCc3cn4c(n3)CCCC4)CC[C@@H]21 ZINC000868035909 596663248 /nfs/dbraw/zinc/66/32/48/596663248.db2.gz QOAUFJBKNPUEHW-ZBFHGGJFSA-N 2 1 331.464 1.498 20 0 EDADMP COCCOCC[NH+]1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865912767 596719324 /nfs/dbraw/zinc/71/93/24/596719324.db2.gz TVJXBGVKLIDKGO-UHFFFAOYSA-N 2 1 333.354 1.885 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@H+]1C ZINC000868230720 596736867 /nfs/dbraw/zinc/73/68/67/596736867.db2.gz LZNWJOIRNAFGBP-BQDHKBFISA-N 2 1 330.432 1.039 20 0 EDADMP CN(CCC(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1)c1cc[nH+]cc1 ZINC000870085564 596742825 /nfs/dbraw/zinc/74/28/25/596742825.db2.gz HLHSUQHEAUTYSK-SFHVURJKSA-N 2 1 340.427 1.787 20 0 EDADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000872146771 596811040 /nfs/dbraw/zinc/81/10/40/596811040.db2.gz WZQZIGAZDMAMOQ-IXDOHACOSA-N 2 1 325.497 1.637 20 0 EDADMP CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156185 596815835 /nfs/dbraw/zinc/81/58/35/596815835.db2.gz GAQCZOJMDPXHBM-DOTOQJQBSA-N 2 1 345.553 1.888 20 0 EDADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@H](O)CC(C)(C)O)cc2)CC1 ZINC000872201179 596833143 /nfs/dbraw/zinc/83/31/43/596833143.db2.gz SGWUEKHMSCPHLY-LJQANCHMSA-N 2 1 349.519 1.436 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000875706123 596954069 /nfs/dbraw/zinc/95/40/69/596954069.db2.gz AFMBSXQJUQZRTD-XHSDSOJGSA-N 2 1 338.496 1.148 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000875706123 596954073 /nfs/dbraw/zinc/95/40/73/596954073.db2.gz AFMBSXQJUQZRTD-XHSDSOJGSA-N 2 1 338.496 1.148 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000875706123 596954075 /nfs/dbraw/zinc/95/40/75/596954075.db2.gz AFMBSXQJUQZRTD-XHSDSOJGSA-N 2 1 338.496 1.148 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC(C)(C)[C@@H]1CCCCO1 ZINC000875713088 596957300 /nfs/dbraw/zinc/95/73/00/596957300.db2.gz JUVUBIFKALILLD-HOTGVXAUSA-N 2 1 342.528 1.905 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC(C)(C)[C@@H]1CCCCO1 ZINC000875713088 596957302 /nfs/dbraw/zinc/95/73/02/596957302.db2.gz JUVUBIFKALILLD-HOTGVXAUSA-N 2 1 342.528 1.905 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCSC1 ZINC000875716541 596959058 /nfs/dbraw/zinc/95/90/58/596959058.db2.gz VDZHUBVDSJCVIY-LSDHHAIUSA-N 2 1 330.542 1.701 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCSC1 ZINC000875716541 596959062 /nfs/dbraw/zinc/95/90/62/596959062.db2.gz VDZHUBVDSJCVIY-LSDHHAIUSA-N 2 1 330.542 1.701 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C[NH+]1CCCC1 ZINC000874452377 597086210 /nfs/dbraw/zinc/08/62/10/597086210.db2.gz UIHAUFUOLDXVKT-SFHVURJKSA-N 2 1 330.476 1.990 20 0 EDADMP CC(C)OC1(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCC1 ZINC000873167254 597217269 /nfs/dbraw/zinc/21/72/69/597217269.db2.gz QFEPTNONRRTHQQ-UHFFFAOYSA-N 2 1 333.480 1.666 20 0 EDADMP COc1ccc([C@@H]2C[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCO2)cc1 ZINC000873221468 597231473 /nfs/dbraw/zinc/23/14/73/597231473.db2.gz KYCSCUYIVVANSI-YJBOKZPZSA-N 2 1 347.459 1.266 20 0 EDADMP COc1ccc([C@@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCO2)cc1 ZINC000873221468 597231476 /nfs/dbraw/zinc/23/14/76/597231476.db2.gz KYCSCUYIVVANSI-YJBOKZPZSA-N 2 1 347.459 1.266 20 0 EDADMP C[NH+]1CCC2(CCN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000875098578 597280555 /nfs/dbraw/zinc/28/05/55/597280555.db2.gz XBSUWYPXAZKGBV-INIZCTEOSA-N 2 1 334.508 1.988 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[NH+]1CCCCC1 ZINC000875130505 597294329 /nfs/dbraw/zinc/29/43/29/597294329.db2.gz NRLFTZGNOZKTIC-GJZGRUSLSA-N 2 1 326.485 1.005 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876717937 597303228 /nfs/dbraw/zinc/30/32/28/597303228.db2.gz IXXLFGNJWJTRPF-AEFFLSMTSA-N 2 1 333.451 1.977 20 0 EDADMP CC1(C)[C@H](C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC000876733557 597311831 /nfs/dbraw/zinc/31/18/31/597311831.db2.gz ASZSXAKETDPPJF-IRXDYDNUSA-N 2 1 331.460 1.873 20 0 EDADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000876745906 597318764 /nfs/dbraw/zinc/31/87/64/597318764.db2.gz GTPBEZQBBIXUJK-GCEZPKIMSA-N 2 1 348.535 1.415 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000875296191 597373643 /nfs/dbraw/zinc/37/36/43/597373643.db2.gz UHURYLMQFQCQQQ-MRXNPFEDSA-N 2 1 338.496 1.223 20 0 EDADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C[C@H]1COCC[NH2+]1 ZINC000877030385 597416949 /nfs/dbraw/zinc/41/69/49/597416949.db2.gz FPXMAJQFBNVUDS-YXJHDRRASA-N 2 1 329.444 1.508 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000875427848 597424464 /nfs/dbraw/zinc/42/44/64/597424464.db2.gz XDLZWKCINCAUQS-DOTOQJQBSA-N 2 1 346.475 1.318 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000875427848 597424466 /nfs/dbraw/zinc/42/44/66/597424466.db2.gz XDLZWKCINCAUQS-DOTOQJQBSA-N 2 1 346.475 1.318 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000875427848 597424470 /nfs/dbraw/zinc/42/44/70/597424470.db2.gz XDLZWKCINCAUQS-DOTOQJQBSA-N 2 1 346.475 1.318 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000875427848 597424471 /nfs/dbraw/zinc/42/44/71/597424471.db2.gz XDLZWKCINCAUQS-DOTOQJQBSA-N 2 1 346.475 1.318 20 0 EDADMP CC1(C)CC[C@@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[NH2+]C1 ZINC000877153963 597445206 /nfs/dbraw/zinc/44/52/06/597445206.db2.gz LGFHAKVJDQGMBK-ZWKOTPCHSA-N 2 1 345.487 1.782 20 0 EDADMP CC1(C)CC[C@@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[NH2+]C1 ZINC000877153963 597445207 /nfs/dbraw/zinc/44/52/07/597445207.db2.gz LGFHAKVJDQGMBK-ZWKOTPCHSA-N 2 1 345.487 1.782 20 0 EDADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000877267089 597483673 /nfs/dbraw/zinc/48/36/73/597483673.db2.gz PKISZIDIVNGSLB-INIZCTEOSA-N 2 1 347.507 1.927 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877346805 597497581 /nfs/dbraw/zinc/49/75/81/597497581.db2.gz IHWJUZRHTOUVJI-MAUKXSAKSA-N 2 1 325.412 1.526 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877389200 597507653 /nfs/dbraw/zinc/50/76/53/597507653.db2.gz ASROFJMBUVXLNC-ICSRJNTNSA-N 2 1 342.487 1.205 20 0 EDADMP OC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1CO ZINC000877764622 597553611 /nfs/dbraw/zinc/55/36/11/597553611.db2.gz LCJMYWKAXZDSFH-HDICACEKSA-N 2 1 334.460 1.194 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878315052 597594791 /nfs/dbraw/zinc/59/47/91/597594791.db2.gz DYUZXXZDRZOYAC-KRWDZBQOSA-N 2 1 325.497 1.284 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569480 597635662 /nfs/dbraw/zinc/63/56/62/597635662.db2.gz QHHGJGMYNADYGG-CGTJXYLNSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569480 597635665 /nfs/dbraw/zinc/63/56/65/597635665.db2.gz QHHGJGMYNADYGG-CGTJXYLNSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569480 597635668 /nfs/dbraw/zinc/63/56/68/597635668.db2.gz QHHGJGMYNADYGG-CGTJXYLNSA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879569480 597635671 /nfs/dbraw/zinc/63/56/71/597635671.db2.gz QHHGJGMYNADYGG-CGTJXYLNSA-N 2 1 334.460 1.599 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)N2CCN(CCCOC(C)(C)C)CC2)C1 ZINC000883177584 597677601 /nfs/dbraw/zinc/67/76/01/597677601.db2.gz CXVDLAPSNZQKDW-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)C1 ZINC000883177584 597677602 /nfs/dbraw/zinc/67/76/02/597677602.db2.gz CXVDLAPSNZQKDW-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1CCCOC1 ZINC000883216129 597687836 /nfs/dbraw/zinc/68/78/36/597687836.db2.gz LLRPDCIIMWCVHR-AQNXPRMDSA-N 2 1 348.487 1.784 20 0 EDADMP C[NH+]1CCC(NC(=O)C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)CC1 ZINC000878803600 597717146 /nfs/dbraw/zinc/71/71/46/597717146.db2.gz JCRIAZAATBLUHN-UHFFFAOYSA-N 2 1 337.361 1.563 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(F)(F)C(F)(F)F ZINC000883362921 597724540 /nfs/dbraw/zinc/72/45/40/597724540.db2.gz QSJWNBWMBAHRQB-RYUDHWBXSA-N 2 1 346.340 1.778 20 0 EDADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000879951773 597782049 /nfs/dbraw/zinc/78/20/49/597782049.db2.gz QSUCSCKAXRLYFG-KRWDZBQOSA-N 2 1 340.508 1.619 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](C(C)(C)O)C1)c1ccccc1 ZINC000879963744 597786673 /nfs/dbraw/zinc/78/66/73/597786673.db2.gz NQCKQDXKJSMRJM-MSOLQXFVSA-N 2 1 347.503 1.888 20 0 EDADMP C[C@@H](NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)[C@H](C)[NH3+] ZINC000883586356 597814160 /nfs/dbraw/zinc/81/41/60/597814160.db2.gz KDAFCWLKRVXWTI-VBQJREDUSA-N 2 1 331.464 1.828 20 0 EDADMP [NH3+]C[C@H]1CCN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883586046 597814614 /nfs/dbraw/zinc/81/46/14/597814614.db2.gz DILRWHYPDYETHQ-QAPCUYQASA-N 2 1 343.475 1.784 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879081377 597814968 /nfs/dbraw/zinc/81/49/68/597814968.db2.gz XJCMLJDVIBAMNG-CQSZACIVSA-N 2 1 326.441 1.351 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879081377 597814969 /nfs/dbraw/zinc/81/49/69/597814969.db2.gz XJCMLJDVIBAMNG-CQSZACIVSA-N 2 1 326.441 1.351 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883586757 597815041 /nfs/dbraw/zinc/81/50/41/597815041.db2.gz RUJYXDHIDVFRCV-WMLDXEAASA-N 2 1 331.464 1.687 20 0 EDADMP C[C@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249222 597864848 /nfs/dbraw/zinc/86/48/48/597864848.db2.gz JIURLIKGZZYPJV-CYBMUJFWSA-N 2 1 333.484 1.389 20 0 EDADMP COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000879258282 597867229 /nfs/dbraw/zinc/86/72/29/597867229.db2.gz WZNICAUODGQUJJ-CRAIPNDOSA-N 2 1 342.480 1.123 20 0 EDADMP C[C@@H]1C[N@@H+](CCN2CCC[C@@H]([NH2+]C3CCOCC3)C2)C[C@H](C)O1 ZINC000880206268 597873045 /nfs/dbraw/zinc/87/30/45/597873045.db2.gz FGSSGYQEUAZGAU-SOLBZPMBSA-N 2 1 325.497 1.329 20 0 EDADMP C[C@@H]1C[N@H+](CCN2CCC[C@@H]([NH2+]C3CCOCC3)C2)C[C@H](C)O1 ZINC000880206268 597873047 /nfs/dbraw/zinc/87/30/47/597873047.db2.gz FGSSGYQEUAZGAU-SOLBZPMBSA-N 2 1 325.497 1.329 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)CC1 ZINC000880492613 597945823 /nfs/dbraw/zinc/94/58/23/597945823.db2.gz UDDAZZGCQWVJRD-DLBZAZTESA-N 2 1 337.508 1.722 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C1 ZINC000133256438 597953427 /nfs/dbraw/zinc/95/34/27/597953427.db2.gz KWPNHCHDCQOCNZ-OAHLLOKOSA-N 2 1 336.505 1.874 20 0 EDADMP CSc1nccnc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000880664624 597990725 /nfs/dbraw/zinc/99/07/25/597990725.db2.gz XBNKFYMVRPFUSJ-LBPRGKRZSA-N 2 1 325.482 1.200 20 0 EDADMP CSc1nccnc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000880664624 597990726 /nfs/dbraw/zinc/99/07/26/597990726.db2.gz XBNKFYMVRPFUSJ-LBPRGKRZSA-N 2 1 325.482 1.200 20 0 EDADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884124563 598001581 /nfs/dbraw/zinc/00/15/81/598001581.db2.gz ASRLVXLLSGCTTC-NJAFHUGGSA-N 2 1 343.475 1.929 20 0 EDADMP CCC1([NH+]2CCC2)CCN(C(=O)NCCC[N@@H+](C)CCOC)CC1 ZINC000884197864 598024758 /nfs/dbraw/zinc/02/47/58/598024758.db2.gz HAAILDNMKUHKDZ-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC[N@H+]1C ZINC000884206273 598028319 /nfs/dbraw/zinc/02/83/19/598028319.db2.gz QMKWLTQDUSRNLG-OWCLPIDISA-N 2 1 331.464 1.784 20 0 EDADMP C[C@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CCN1c1cc[nH+]cc1 ZINC000882821152 598070405 /nfs/dbraw/zinc/07/04/05/598070405.db2.gz MUJMTVAVINJSCP-HNNXBMFYSA-N 2 1 340.431 1.423 20 0 EDADMP [NH3+][C@H](CC1CC1)C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000884410165 598096535 /nfs/dbraw/zinc/09/65/35/598096535.db2.gz BPLLUYYTPXNWLT-GOSISDBHSA-N 2 1 342.487 1.585 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000914112593 695116316 /nfs/dbraw/zinc/11/63/16/695116316.db2.gz POQNSVASANIDIN-SJLPKXTDSA-N 2 1 345.491 1.200 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000914112593 695116321 /nfs/dbraw/zinc/11/63/21/695116321.db2.gz POQNSVASANIDIN-SJLPKXTDSA-N 2 1 345.491 1.200 20 0 EDADMP Cc1noc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000995013862 699973384 /nfs/dbraw/zinc/97/33/84/699973384.db2.gz JPZSBZFBUKBCHI-HUUCEWRRSA-N 2 1 347.463 1.381 20 0 EDADMP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000914314237 695351723 /nfs/dbraw/zinc/35/17/23/695351723.db2.gz PSFLKSVVBQFGID-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000914407799 695391510 /nfs/dbraw/zinc/39/15/10/695391510.db2.gz WUPLSSOXWHTQDY-ULQDDVLXSA-N 2 1 343.537 1.512 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)NC2C[NH+](CC3CC(C)(C)C3)C2)cn1 ZINC001031083878 695491444 /nfs/dbraw/zinc/49/14/44/695491444.db2.gz WPENVEVAESBDRB-UHFFFAOYSA-N 2 1 333.480 1.295 20 0 EDADMP O=S(=O)([C@H]1CCC[NH2+]C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000923596832 695694422 /nfs/dbraw/zinc/69/44/22/695694422.db2.gz JVKZUGANNQYCSC-KRWDZBQOSA-N 2 1 343.537 1.656 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CCC[N@H+]1CCCO ZINC000993319102 695966411 /nfs/dbraw/zinc/96/64/11/695966411.db2.gz WEYWDVMTSQHVNA-CVEARBPZSA-N 2 1 325.497 1.602 20 0 EDADMP Cc1c(C(=O)N[C@@H]2CCC[N@@H+](CCCO)[C@H]2C)ccc2c[nH+]cn21 ZINC000993500171 696179407 /nfs/dbraw/zinc/17/94/07/696179407.db2.gz IRBZAESCYLJVMP-WMLDXEAASA-N 2 1 330.432 1.608 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000993559655 696243091 /nfs/dbraw/zinc/24/30/91/696243091.db2.gz BKZAFLNJDBAWMB-WBVHZDCISA-N 2 1 345.491 1.518 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@H+]1Cc1cnn(C)c1 ZINC000993559655 696243092 /nfs/dbraw/zinc/24/30/92/696243092.db2.gz BKZAFLNJDBAWMB-WBVHZDCISA-N 2 1 345.491 1.518 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1cccnc1 ZINC000993768356 696365094 /nfs/dbraw/zinc/36/50/94/696365094.db2.gz ZOCSPTZRDCYPJY-CRAIPNDOSA-N 2 1 330.476 1.893 20 0 EDADMP CC[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000916033602 696615492 /nfs/dbraw/zinc/61/54/92/696615492.db2.gz ZUOHCJYUPPNUIK-JKSUJKDBSA-N 2 1 340.537 1.597 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(Cc2nccnc2C)[C@@H]1C ZINC000994425243 696847374 /nfs/dbraw/zinc/84/73/74/696847374.db2.gz RNWUHQOFSNLCAY-ZBFHGGJFSA-N 2 1 342.447 1.459 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCn2cccn2)[C@H]1C ZINC000994420247 696848865 /nfs/dbraw/zinc/84/88/65/696848865.db2.gz JYEGSOATEQAEMU-HOCLYGCPSA-N 2 1 330.436 1.057 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCn2cccn2)[C@H]1C ZINC000994420247 696848868 /nfs/dbraw/zinc/84/88/68/696848868.db2.gz JYEGSOATEQAEMU-HOCLYGCPSA-N 2 1 330.436 1.057 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CN(CC[C@H]3CCc4ccccc43)C2)C1 ZINC001031382587 697001017 /nfs/dbraw/zinc/00/10/17/697001017.db2.gz YRCDJKHKLZMIHP-SJORKVTESA-N 2 1 327.472 1.859 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](CC[C@H]3CCc4ccccc43)C2)C1 ZINC001031382587 697001018 /nfs/dbraw/zinc/00/10/18/697001018.db2.gz YRCDJKHKLZMIHP-SJORKVTESA-N 2 1 327.472 1.859 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](CC[C@H]3CCc4ccccc43)C2)C1 ZINC001031382587 697001019 /nfs/dbraw/zinc/00/10/19/697001019.db2.gz YRCDJKHKLZMIHP-SJORKVTESA-N 2 1 327.472 1.859 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]CC3CCCCC3)CC2)C1 ZINC000940028348 700127047 /nfs/dbraw/zinc/12/70/47/700127047.db2.gz SXPFJOJBDXJWIL-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]CC3CCCCC3)CC2)C1 ZINC000940028348 700127048 /nfs/dbraw/zinc/12/70/48/700127048.db2.gz SXPFJOJBDXJWIL-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000917571212 697040681 /nfs/dbraw/zinc/04/06/81/697040681.db2.gz SSWLCHFOBIBUSF-ILXRZTDVSA-N 2 1 326.510 1.207 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000917571212 697040684 /nfs/dbraw/zinc/04/06/84/697040684.db2.gz SSWLCHFOBIBUSF-ILXRZTDVSA-N 2 1 326.510 1.207 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)[C@@H](C)C1 ZINC000919050190 697236708 /nfs/dbraw/zinc/23/67/08/697236708.db2.gz HAZBHWZEVDOQQX-LUKYLMHMSA-N 2 1 340.512 1.515 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)[C@@H](C)C1 ZINC000919050190 697236709 /nfs/dbraw/zinc/23/67/09/697236709.db2.gz HAZBHWZEVDOQQX-LUKYLMHMSA-N 2 1 340.512 1.515 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000352744724 697333384 /nfs/dbraw/zinc/33/33/84/697333384.db2.gz QEMDJKBZLKGQPN-IRXDYDNUSA-N 2 1 325.497 1.866 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000920226319 697411412 /nfs/dbraw/zinc/41/14/12/697411412.db2.gz FLCIMLTWXQJSKH-IRXDYDNUSA-N 2 1 333.480 1.858 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001031665556 697445633 /nfs/dbraw/zinc/44/56/33/697445633.db2.gz AFLMWEVQGNPNRU-SJORKVTESA-N 2 1 337.508 1.722 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031674514 697483096 /nfs/dbraw/zinc/48/30/96/697483096.db2.gz KVHHBPOFCPAZCX-QGZVFWFLSA-N 2 1 346.475 1.435 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccnc2C)C1 ZINC001031711980 697723891 /nfs/dbraw/zinc/72/38/91/697723891.db2.gz ODUPAFGIUBQSCC-SFHVURJKSA-N 2 1 330.476 1.812 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccnc2C)C1 ZINC001031711980 697723896 /nfs/dbraw/zinc/72/38/96/697723896.db2.gz ODUPAFGIUBQSCC-SFHVURJKSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995036146 700183670 /nfs/dbraw/zinc/18/36/70/700183670.db2.gz KSVLLDNJPATEBZ-GDBMZVCRSA-N 2 1 345.422 1.800 20 0 EDADMP O=C(NCC1C[NH+](CC[C@@H]2CCCO2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001031731540 698112297 /nfs/dbraw/zinc/11/22/97/698112297.db2.gz CZHDLZLYFPMICH-HOTGVXAUSA-N 2 1 332.448 1.378 20 0 EDADMP O=C(NCC1C[NH+](CC[C@@H]2CCOC2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001031731935 698156690 /nfs/dbraw/zinc/15/66/90/698156690.db2.gz OJAPHFAKEAQLLE-ZBFHGGJFSA-N 2 1 332.448 1.235 20 0 EDADMP CC[C@@H](C(=O)N1CCCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1)[NH+](C)C ZINC000943378881 698171468 /nfs/dbraw/zinc/17/14/68/698171468.db2.gz SGIVPCFBGITAKO-HOTGVXAUSA-N 2 1 349.479 1.029 20 0 EDADMP CC[C@@H](C[NH+]1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1)OC ZINC001032079010 698237328 /nfs/dbraw/zinc/23/73/28/698237328.db2.gz OAFWZDOOEOQIHD-KRWDZBQOSA-N 2 1 343.431 1.354 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnnn2C)CC1 ZINC000940110082 700223479 /nfs/dbraw/zinc/22/34/79/700223479.db2.gz TVOHIDFADWMKLW-INIZCTEOSA-N 2 1 348.495 1.159 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000940124183 700257773 /nfs/dbraw/zinc/25/77/73/700257773.db2.gz YWVCANJRGKABBS-IXDOHACOSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031764956 699049924 /nfs/dbraw/zinc/04/99/24/699049924.db2.gz QOWWNENPLVMIIJ-UHFFFAOYSA-N 2 1 346.475 1.715 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766893 699066698 /nfs/dbraw/zinc/06/66/98/699066698.db2.gz NKMGMNWNRXGQTF-IAGOWNOFSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766893 699066702 /nfs/dbraw/zinc/06/67/02/699066702.db2.gz NKMGMNWNRXGQTF-IAGOWNOFSA-N 2 1 332.448 1.548 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccnn1C ZINC000939127359 699205076 /nfs/dbraw/zinc/20/50/76/699205076.db2.gz COWKTNSKMLSFLV-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)nc1 ZINC000939138318 699230543 /nfs/dbraw/zinc/23/05/43/699230543.db2.gz WTYFSQLRQCFNTD-CVEARBPZSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)nc1 ZINC000939138318 699230546 /nfs/dbraw/zinc/23/05/46/699230546.db2.gz WTYFSQLRQCFNTD-CVEARBPZSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC000939320682 699499195 /nfs/dbraw/zinc/49/91/95/699499195.db2.gz WZXHCKOSEWVPON-AEFFLSMTSA-N 2 1 346.475 1.049 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1ncccn1 ZINC000939394410 699544625 /nfs/dbraw/zinc/54/46/25/699544625.db2.gz BPVIPKVVGBYCJW-HZPDHXFCSA-N 2 1 331.464 1.145 20 0 EDADMP CCC[NH+]1CC(N2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)C1 ZINC000941678682 701616440 /nfs/dbraw/zinc/61/64/40/701616440.db2.gz DQGVJHIMHLOODP-IBGZPJMESA-N 2 1 344.503 1.528 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC000939750342 699897723 /nfs/dbraw/zinc/89/77/23/699897723.db2.gz YTSQXVDVYXEWHH-DOMZBBRYSA-N 2 1 347.850 1.877 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](CC4CC(C)(C)C4)C3)CC2)C1 ZINC000941666259 701620737 /nfs/dbraw/zinc/62/07/37/701620737.db2.gz SBZAIMOPCMLLGJ-KRWDZBQOSA-N 2 1 348.535 1.203 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cn(C)nn2)CC1 ZINC000940142254 700269892 /nfs/dbraw/zinc/26/98/92/700269892.db2.gz MKJUSJWGOIEORK-MRXNPFEDSA-N 2 1 348.495 1.160 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)co1 ZINC000940329157 700508369 /nfs/dbraw/zinc/50/83/69/700508369.db2.gz QJRTYHYBDQLUAV-CQSZACIVSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1 ZINC000940329510 700509038 /nfs/dbraw/zinc/50/90/38/700509038.db2.gz UXDFIODDABVONY-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940426559 700620538 /nfs/dbraw/zinc/62/05/38/700620538.db2.gz WYJQNXHJLCKITI-HNNXBMFYSA-N 2 1 333.480 1.233 20 0 EDADMP CCCc1nc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000940457768 700661462 /nfs/dbraw/zinc/66/14/62/700661462.db2.gz SVVYPEJMFUGEBO-CQSZACIVSA-N 2 1 349.479 1.445 20 0 EDADMP CCCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000940457768 700661463 /nfs/dbraw/zinc/66/14/63/700661463.db2.gz SVVYPEJMFUGEBO-CQSZACIVSA-N 2 1 349.479 1.445 20 0 EDADMP CCCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000940457768 700661465 /nfs/dbraw/zinc/66/14/65/700661465.db2.gz SVVYPEJMFUGEBO-CQSZACIVSA-N 2 1 349.479 1.445 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOC2CCC2)CC1(C)C ZINC000940625400 700787223 /nfs/dbraw/zinc/78/72/23/700787223.db2.gz SMUVSKMBNKXJSC-DLBZAZTESA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCOC2CCC2)CC1(C)C ZINC000940625400 700787225 /nfs/dbraw/zinc/78/72/25/700787225.db2.gz SMUVSKMBNKXJSC-DLBZAZTESA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCOC2CCC2)CC1(C)C ZINC000940625400 700787227 /nfs/dbraw/zinc/78/72/27/700787227.db2.gz SMUVSKMBNKXJSC-DLBZAZTESA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940748281 700873922 /nfs/dbraw/zinc/87/39/22/700873922.db2.gz WXWYODKRERPATK-HZPDHXFCSA-N 2 1 339.524 1.848 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCn3cccn3)CC2(C)C)CC[N@H+]1C ZINC000940756683 700892046 /nfs/dbraw/zinc/89/20/46/700892046.db2.gz FZDZIOYCDCPNQV-BRWVUGGUSA-N 2 1 347.507 1.440 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)CC2(C)C)CC[NH+]1C ZINC000940756683 700892048 /nfs/dbraw/zinc/89/20/48/700892048.db2.gz FZDZIOYCDCPNQV-BRWVUGGUSA-N 2 1 347.507 1.440 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)CC2(C)C)CC[NH+]1C ZINC000940756683 700892050 /nfs/dbraw/zinc/89/20/50/700892050.db2.gz FZDZIOYCDCPNQV-BRWVUGGUSA-N 2 1 347.507 1.440 20 0 EDADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940832565 700931961 /nfs/dbraw/zinc/93/19/61/700931961.db2.gz YWXSBXCTBQYYGJ-BRWVUGGUSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940832565 700931963 /nfs/dbraw/zinc/93/19/63/700931963.db2.gz YWXSBXCTBQYYGJ-BRWVUGGUSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940832565 700931965 /nfs/dbraw/zinc/93/19/65/700931965.db2.gz YWXSBXCTBQYYGJ-BRWVUGGUSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940832565 700931967 /nfs/dbraw/zinc/93/19/67/700931967.db2.gz YWXSBXCTBQYYGJ-BRWVUGGUSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940832565 700931969 /nfs/dbraw/zinc/93/19/69/700931969.db2.gz YWXSBXCTBQYYGJ-BRWVUGGUSA-N 2 1 339.524 1.968 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857828 700956497 /nfs/dbraw/zinc/95/64/97/700956497.db2.gz FCQYZGBFOZMYCP-IAGOWNOFSA-N 2 1 339.524 1.970 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857828 700956499 /nfs/dbraw/zinc/95/64/99/700956499.db2.gz FCQYZGBFOZMYCP-IAGOWNOFSA-N 2 1 339.524 1.970 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857828 700956501 /nfs/dbraw/zinc/95/65/01/700956501.db2.gz FCQYZGBFOZMYCP-IAGOWNOFSA-N 2 1 339.524 1.970 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCn2cccn2)CC1(C)C ZINC000940893030 700968001 /nfs/dbraw/zinc/96/80/01/700968001.db2.gz MMKXEIWRPJVNMX-MRXNPFEDSA-N 2 1 344.463 1.305 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)CC1(C)C ZINC000940893030 700968002 /nfs/dbraw/zinc/96/80/02/700968002.db2.gz MMKXEIWRPJVNMX-MRXNPFEDSA-N 2 1 344.463 1.305 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1C[NH+](CC3CC(C)C3)C1)CC2 ZINC001031931311 701379214 /nfs/dbraw/zinc/37/92/14/701379214.db2.gz IFXDEZVSYQRZNG-PUJMQQBBSA-N 2 1 330.476 1.848 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941215913 701402288 /nfs/dbraw/zinc/40/22/88/701402288.db2.gz BGJCLQBNKJAEKD-ZBFHGGJFSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215913 701402289 /nfs/dbraw/zinc/40/22/89/701402289.db2.gz BGJCLQBNKJAEKD-ZBFHGGJFSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215913 701402290 /nfs/dbraw/zinc/40/22/90/701402290.db2.gz BGJCLQBNKJAEKD-ZBFHGGJFSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218429 701409178 /nfs/dbraw/zinc/40/91/78/701409178.db2.gz XOCROUXHOXAVCU-RDJZCZTQSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941218429 701409179 /nfs/dbraw/zinc/40/91/79/701409179.db2.gz XOCROUXHOXAVCU-RDJZCZTQSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218429 701409180 /nfs/dbraw/zinc/40/91/80/701409180.db2.gz XOCROUXHOXAVCU-RDJZCZTQSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1nc(C(C)C)oc1C[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948368 701514196 /nfs/dbraw/zinc/51/41/96/701514196.db2.gz WNHFULIBNGNHME-UHFFFAOYSA-N 2 1 348.491 1.996 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941460300 701544238 /nfs/dbraw/zinc/54/42/38/701544238.db2.gz PDLUSDRZWYUYCL-GOSISDBHSA-N 2 1 334.508 1.099 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032129297 701817903 /nfs/dbraw/zinc/81/79/03/701817903.db2.gz UXDNIMCQPLOVMA-DOTOQJQBSA-N 2 1 348.491 1.905 20 0 EDADMP COc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cc1 ZINC001031976346 701959554 /nfs/dbraw/zinc/95/95/54/701959554.db2.gz JJUSWNCCBKJGHP-BEFAXECRSA-N 2 1 345.487 1.483 20 0 EDADMP C[C@@H]1C[N@@H+](CCF)CC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000944044904 701999161 /nfs/dbraw/zinc/99/91/61/701999161.db2.gz BCGNIVJZYVRORJ-PBHICJAKSA-N 2 1 325.472 1.905 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000995791898 702086345 /nfs/dbraw/zinc/08/63/45/702086345.db2.gz FAPDERNDGNALEW-SJORKVTESA-N 2 1 347.507 1.620 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CN(Cc2cnc(C)cn2)C1 ZINC001032206132 702129178 /nfs/dbraw/zinc/12/91/78/702129178.db2.gz SJANJIFARFBJGW-KRWDZBQOSA-N 2 1 331.464 1.207 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncccn3)C2)CC[N@@H+]1C ZINC000999203532 706648380 /nfs/dbraw/zinc/64/83/80/706648380.db2.gz BYEQDEWBSPLTMG-HRCADAONSA-N 2 1 331.464 1.288 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncccn3)C2)CC[N@H+]1C ZINC000999203532 706648382 /nfs/dbraw/zinc/64/83/82/706648382.db2.gz BYEQDEWBSPLTMG-HRCADAONSA-N 2 1 331.464 1.288 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCc4ccccc4C3)C2)C1 ZINC001032182797 702210951 /nfs/dbraw/zinc/21/09/51/702210951.db2.gz REAYBXBHVJUOJF-OXQOHEQNSA-N 2 1 341.499 1.791 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995920780 702242566 /nfs/dbraw/zinc/24/25/66/702242566.db2.gz VNVBOSMCCTUXIP-INIZCTEOSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995920780 702242579 /nfs/dbraw/zinc/24/25/79/702242579.db2.gz VNVBOSMCCTUXIP-INIZCTEOSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ccc(C)c(OCC[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001032186331 702323306 /nfs/dbraw/zinc/32/33/06/702323306.db2.gz OCVWCMGQWXETGH-SFHVURJKSA-N 2 1 345.487 1.682 20 0 EDADMP CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1[NH2+]Cc1cnon1 ZINC000995970932 702355200 /nfs/dbraw/zinc/35/52/00/702355200.db2.gz UQBQQKJYEWSLPU-HNNXBMFYSA-N 2 1 347.463 1.272 20 0 EDADMP Cc1nnsc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944171545 702417097 /nfs/dbraw/zinc/41/70/97/702417097.db2.gz YEKFVCZRAYSYRX-OCCSQVGLSA-N 2 1 349.504 1.269 20 0 EDADMP Cc1nnsc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944171545 702417099 /nfs/dbraw/zinc/41/70/99/702417099.db2.gz YEKFVCZRAYSYRX-OCCSQVGLSA-N 2 1 349.504 1.269 20 0 EDADMP CCOC1CC(C[NH2+][C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)C1 ZINC000996046061 702440530 /nfs/dbraw/zinc/44/05/30/702440530.db2.gz ZGTPKSHDSDBSKW-JCYILVPMSA-N 2 1 348.491 1.833 20 0 EDADMP Cc1cccnc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944155306 702448480 /nfs/dbraw/zinc/44/84/80/702448480.db2.gz MFRABYCYDVUBCU-DLBZAZTESA-N 2 1 342.487 1.812 20 0 EDADMP Cc1ccncc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944157355 702454401 /nfs/dbraw/zinc/45/44/01/702454401.db2.gz ZPILSFMBVFWFCF-FUHWJXTLSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCCCO2)C(C)(C)C1 ZINC000996043656 702461620 /nfs/dbraw/zinc/46/16/20/702461620.db2.gz POZXVDFMBJZETN-IRXDYDNUSA-N 2 1 348.491 1.977 20 0 EDADMP C[C@H]1C[N@@H+](CC2CCC2)CC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942058121 702508554 /nfs/dbraw/zinc/50/85/54/702508554.db2.gz UBHWTYBDRNKRST-DOTOQJQBSA-N 2 1 347.507 1.685 20 0 EDADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942058108 702509055 /nfs/dbraw/zinc/50/90/55/702509055.db2.gz TVMUWULBDRDJIY-SJORKVTESA-N 2 1 349.523 1.931 20 0 EDADMP Cc1ccncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032665936 706679205 /nfs/dbraw/zinc/67/92/05/706679205.db2.gz NCXKPMUSVLKXBZ-OALUTQOASA-N 2 1 342.487 1.907 20 0 EDADMP Cc1ccncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032665936 706679208 /nfs/dbraw/zinc/67/92/08/706679208.db2.gz NCXKPMUSVLKXBZ-OALUTQOASA-N 2 1 342.487 1.907 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@H]2CCOC2)CC1 ZINC001032666188 706679751 /nfs/dbraw/zinc/67/97/51/706679751.db2.gz YSXHHGGAYQTBSX-BZSNNMDCSA-N 2 1 335.492 1.430 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)no1 ZINC000996246375 702649629 /nfs/dbraw/zinc/64/96/29/702649629.db2.gz HSWQYFYKZRDLTA-INIZCTEOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2(C)C)[nH]1 ZINC000996250185 702652087 /nfs/dbraw/zinc/65/20/87/702652087.db2.gz VLMJSOGUEUXJIY-UKRRQHHQSA-N 2 1 336.484 1.026 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nccnc2C)C1 ZINC000995209758 702676535 /nfs/dbraw/zinc/67/65/35/702676535.db2.gz LHSAEVCMYRVDMM-HOTGVXAUSA-N 2 1 342.447 1.365 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996301191 702693013 /nfs/dbraw/zinc/69/30/13/702693013.db2.gz RLXKVAGTUWCMGM-WBVHZDCISA-N 2 1 330.476 1.893 20 0 EDADMP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996310922 702700085 /nfs/dbraw/zinc/70/00/85/702700085.db2.gz QGUQRAKKUTUALU-MRXNPFEDSA-N 2 1 347.507 1.479 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996500181 702839244 /nfs/dbraw/zinc/83/92/44/702839244.db2.gz CWNHJCBWCSXPBI-IEBWSBKVSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)no1 ZINC000996559259 702877773 /nfs/dbraw/zinc/87/77/73/702877773.db2.gz DEQACXQQICEYGM-LRDDRELGSA-N 2 1 347.463 1.361 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)C(C)(C)C1 ZINC000996614151 702919363 /nfs/dbraw/zinc/91/93/63/702919363.db2.gz ZHFLIIMJLRSIOW-HZPDHXFCSA-N 2 1 334.464 1.445 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996644329 702947144 /nfs/dbraw/zinc/94/71/44/702947144.db2.gz JUXLTUVSNRELLL-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000996676795 702975911 /nfs/dbraw/zinc/97/59/11/702975911.db2.gz IFEZBYNPDCQIES-MRXNPFEDSA-N 2 1 335.452 1.053 20 0 EDADMP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000996679156 702978154 /nfs/dbraw/zinc/97/81/54/702978154.db2.gz QBQJVDXFZMEGJV-INIZCTEOSA-N 2 1 342.447 1.275 20 0 EDADMP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)n1 ZINC000996680774 702979015 /nfs/dbraw/zinc/97/90/15/702979015.db2.gz VASCPYUHIDDNAX-MRXNPFEDSA-N 2 1 342.447 1.275 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000996686948 702984312 /nfs/dbraw/zinc/98/43/12/702984312.db2.gz DOPYFKVQHWULSJ-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC000996689970 702987152 /nfs/dbraw/zinc/98/71/52/702987152.db2.gz NQWTVXSAFOUFMT-CZUORRHYSA-N 2 1 349.479 1.894 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)no1 ZINC000996689970 702987154 /nfs/dbraw/zinc/98/71/54/702987154.db2.gz NQWTVXSAFOUFMT-CZUORRHYSA-N 2 1 349.479 1.894 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000996717643 703011083 /nfs/dbraw/zinc/01/10/83/703011083.db2.gz BSSZNRBTDBDXRB-KRWDZBQOSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000996717731 703011129 /nfs/dbraw/zinc/01/11/29/703011129.db2.gz CCIFJKSWHYWDKZ-MRXNPFEDSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032026995 703046534 /nfs/dbraw/zinc/04/65/34/703046534.db2.gz LPKHSPLGVCOBFC-QGZVFWFLSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032026995 703046535 /nfs/dbraw/zinc/04/65/35/703046535.db2.gz LPKHSPLGVCOBFC-QGZVFWFLSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000996802407 703088608 /nfs/dbraw/zinc/08/86/08/703088608.db2.gz PPOJMLQCTUTDIU-UHFFFAOYSA-N 2 1 334.464 1.589 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000942597518 703112370 /nfs/dbraw/zinc/11/23/70/703112370.db2.gz LBXUJHJNEDTASM-KBXCAEBGSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@H]1C[N@@H+](CC2CCOCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598500 703113767 /nfs/dbraw/zinc/11/37/67/703113767.db2.gz YGVXQXIKIUWHAK-YJBOKZPZSA-N 2 1 337.508 1.581 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]Cc3csnn3)CC2)CC[N@@H+]1C ZINC000996923341 703194304 /nfs/dbraw/zinc/19/43/04/703194304.db2.gz SFUCXMLFGCKPSK-STQMWFEESA-N 2 1 337.493 1.349 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]Cc3csnn3)CC2)CC[N@H+]1C ZINC000996923341 703194306 /nfs/dbraw/zinc/19/43/06/703194306.db2.gz SFUCXMLFGCKPSK-STQMWFEESA-N 2 1 337.493 1.349 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccccn3)CC2)C1 ZINC000996924979 703198834 /nfs/dbraw/zinc/19/88/34/703198834.db2.gz BTZXYNRTFJXGOY-GOSISDBHSA-N 2 1 346.475 1.271 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccccn3)CC2)C1 ZINC000996924979 703198835 /nfs/dbraw/zinc/19/88/35/703198835.db2.gz BTZXYNRTFJXGOY-GOSISDBHSA-N 2 1 346.475 1.271 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000996942578 703211747 /nfs/dbraw/zinc/21/17/47/703211747.db2.gz CRBXTLROXABRBR-UHFFFAOYSA-N 2 1 349.479 1.615 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC2CCOCC2)CC1 ZINC000996981527 703236605 /nfs/dbraw/zinc/23/66/05/703236605.db2.gz VZVSFWGYPDVSES-QAPCUYQASA-N 2 1 337.508 1.724 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC000996997770 703254612 /nfs/dbraw/zinc/25/46/12/703254612.db2.gz GMYXZUGSWDTAKU-ZIAGYGMSSA-N 2 1 349.479 1.758 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cs1 ZINC000997000470 703257257 /nfs/dbraw/zinc/25/72/57/703257257.db2.gz QDAIDSZSUFFJHX-WBMJQRKESA-N 2 1 336.505 1.730 20 0 EDADMP Cc1nccnc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000997000341 703257358 /nfs/dbraw/zinc/25/73/58/703257358.db2.gz PHAKTWUPJUOGDZ-UHFFFAOYSA-N 2 1 345.491 1.598 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996996216 703259441 /nfs/dbraw/zinc/25/94/41/703259441.db2.gz WOJYYRYLFRROMP-CQSZACIVSA-N 2 1 334.439 1.786 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]CCc3ccns3)CC2)C1 ZINC000996996934 703260679 /nfs/dbraw/zinc/26/06/79/703260679.db2.gz ATZRXEAACBCWQW-AWEZNQCLSA-N 2 1 336.505 1.608 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)nc1 ZINC000997005186 703262387 /nfs/dbraw/zinc/26/23/87/703262387.db2.gz CZRPRISOSHNBKR-ZBFHGGJFSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nc1 ZINC000997005176 703262495 /nfs/dbraw/zinc/26/24/95/703262495.db2.gz CZRPRISOSHNBKR-GOEBONIOSA-N 2 1 331.464 1.063 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000997007254 703264560 /nfs/dbraw/zinc/26/45/60/703264560.db2.gz IZLDLJXOECGVJP-SUMWQHHRSA-N 2 1 346.475 1.830 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)ccn1 ZINC000997008776 703267199 /nfs/dbraw/zinc/26/71/99/703267199.db2.gz XDZKKJURHMBZKL-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@H]2CCOC2)CC1 ZINC001032700327 706737964 /nfs/dbraw/zinc/73/79/64/706737964.db2.gz LQLDMWWYPHLURB-BZSNNMDCSA-N 2 1 335.492 1.430 20 0 EDADMP CC(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997177211 703461188 /nfs/dbraw/zinc/46/11/88/703461188.db2.gz MEGXKJSHRHGSLL-JFIYKMOQSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997177211 703461189 /nfs/dbraw/zinc/46/11/89/703461189.db2.gz MEGXKJSHRHGSLL-JFIYKMOQSA-N 2 1 339.524 1.968 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3coc(C4CC4)n3)CC2)C1 ZINC000997181465 703466121 /nfs/dbraw/zinc/46/61/21/703466121.db2.gz AWNHCTVEMLVAJI-AWEZNQCLSA-N 2 1 346.475 1.974 20 0 EDADMP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997276511 703535761 /nfs/dbraw/zinc/53/57/61/703535761.db2.gz JBXJVUVYRYKQKW-UXLLHSPISA-N 2 1 325.497 1.580 20 0 EDADMP C[C@@H](O)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997278620 703536787 /nfs/dbraw/zinc/53/67/87/703536787.db2.gz HCUUQEZWIDVHDT-HWMZRRJGSA-N 2 1 325.497 1.314 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)sc1C ZINC000997298400 703556507 /nfs/dbraw/zinc/55/65/07/703556507.db2.gz IYOBUVNFNUZGIH-CQSZACIVSA-N 2 1 336.505 1.792 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3ccsc3)CC2)C1 ZINC000997338161 703572714 /nfs/dbraw/zinc/57/27/14/703572714.db2.gz ALCLZRUBQSGIDD-INIZCTEOSA-N 2 1 337.489 1.549 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3ccsc3)CC2)C1 ZINC000997338161 703572715 /nfs/dbraw/zinc/57/27/15/703572715.db2.gz ALCLZRUBQSGIDD-INIZCTEOSA-N 2 1 337.489 1.549 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000997360649 703590966 /nfs/dbraw/zinc/59/09/66/703590966.db2.gz QDKTXFBDLJXVCU-CHWSQXEVSA-N 2 1 337.493 1.492 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCOC1 ZINC001032430917 703595244 /nfs/dbraw/zinc/59/52/44/703595244.db2.gz IKCNYWAZZFVSQN-KBMXLJTQSA-N 2 1 349.500 1.745 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032430917 703595245 /nfs/dbraw/zinc/59/52/45/703595245.db2.gz IKCNYWAZZFVSQN-KBMXLJTQSA-N 2 1 349.500 1.745 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(C)(C)C)CC1 ZINC001032705592 706755993 /nfs/dbraw/zinc/75/59/93/706755993.db2.gz AIBGSVMTZAPTPG-HOTGVXAUSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCOCC1 ZINC001032445630 703614358 /nfs/dbraw/zinc/61/43/58/703614358.db2.gz NALGDXZJAFJAEZ-QYZOEREBSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032445630 703614360 /nfs/dbraw/zinc/61/43/60/703614360.db2.gz NALGDXZJAFJAEZ-QYZOEREBSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032445630 703614362 /nfs/dbraw/zinc/61/43/62/703614362.db2.gz NALGDXZJAFJAEZ-QYZOEREBSA-N 2 1 349.519 1.961 20 0 EDADMP CCn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C2CC2)[NH+](C)C)cn1 ZINC001032445766 703614712 /nfs/dbraw/zinc/61/47/12/703614712.db2.gz QFCGWDNCUJGFRK-BZSNNMDCSA-N 2 1 345.491 1.071 20 0 EDADMP CCn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C2CC2)[NH+](C)C)cn1 ZINC001032445766 703614713 /nfs/dbraw/zinc/61/47/13/703614713.db2.gz QFCGWDNCUJGFRK-BZSNNMDCSA-N 2 1 345.491 1.071 20 0 EDADMP Cc1nccnc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997421827 703670856 /nfs/dbraw/zinc/67/08/56/703670856.db2.gz SUOGSIZMUBGPER-RHSMWYFYSA-N 2 1 345.491 1.453 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCOCC1 ZINC001032479620 703713753 /nfs/dbraw/zinc/71/37/53/703713753.db2.gz PRGJXPZPPBUSEJ-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032479620 703713755 /nfs/dbraw/zinc/71/37/55/703713755.db2.gz PRGJXPZPPBUSEJ-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032479620 703713756 /nfs/dbraw/zinc/71/37/56/703713756.db2.gz PRGJXPZPPBUSEJ-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2ccon2)CC1 ZINC000997584976 703872337 /nfs/dbraw/zinc/87/23/37/703872337.db2.gz RYYPKQBDOFMKGM-KBXCAEBGSA-N 2 1 346.475 1.733 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001004200967 703928178 /nfs/dbraw/zinc/92/81/78/703928178.db2.gz HEHNTXGCPHCITM-QGZVFWFLSA-N 2 1 333.480 1.375 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001004200967 703928180 /nfs/dbraw/zinc/92/81/80/703928180.db2.gz HEHNTXGCPHCITM-QGZVFWFLSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995549829 703933597 /nfs/dbraw/zinc/93/35/97/703933597.db2.gz FYDYXONCTVYVJE-IAGOWNOFSA-N 2 1 330.476 1.811 20 0 EDADMP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000999295058 706792328 /nfs/dbraw/zinc/79/23/28/706792328.db2.gz XRJVKJMYIYWTJJ-RDUJMCCZSA-N 2 1 334.464 1.792 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cccnc3)C2)C1 ZINC000999295621 706793206 /nfs/dbraw/zinc/79/32/06/706793206.db2.gz JDKICBHQRYBPKO-DAWZGUTISA-N 2 1 346.475 1.270 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cccnc3)C2)C1 ZINC000999295621 706793210 /nfs/dbraw/zinc/79/32/10/706793210.db2.gz JDKICBHQRYBPKO-DAWZGUTISA-N 2 1 346.475 1.270 20 0 EDADMP Cc1ncc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001033091852 704167246 /nfs/dbraw/zinc/16/72/46/704167246.db2.gz NNQANRWGHFKWFG-XNRPHZJLSA-N 2 1 336.505 1.824 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001033091852 704167248 /nfs/dbraw/zinc/16/72/48/704167248.db2.gz NNQANRWGHFKWFG-XNRPHZJLSA-N 2 1 336.505 1.824 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001033091852 704167249 /nfs/dbraw/zinc/16/72/49/704167249.db2.gz NNQANRWGHFKWFG-XNRPHZJLSA-N 2 1 336.505 1.824 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)s1 ZINC001033091852 704167252 /nfs/dbraw/zinc/16/72/52/704167252.db2.gz NNQANRWGHFKWFG-XNRPHZJLSA-N 2 1 336.505 1.824 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)s1 ZINC001033091852 704167254 /nfs/dbraw/zinc/16/72/54/704167254.db2.gz NNQANRWGHFKWFG-XNRPHZJLSA-N 2 1 336.505 1.824 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccnc3)C2)CC[N@H+]1C ZINC001033095974 704183145 /nfs/dbraw/zinc/18/31/45/704183145.db2.gz GQAVLRDIRHVBSF-OKZBNKHCSA-N 2 1 330.476 1.845 20 0 EDADMP CCO[C@H](C[NH2+]C1CCN(C(=O)OCC(C)C)CC1)C[NH+](C)C ZINC000922757889 704317461 /nfs/dbraw/zinc/31/74/61/704317461.db2.gz NEVNIYRTRYENSG-MRXNPFEDSA-N 2 1 329.485 1.800 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccsc3)C(C)(C)C2)C1 ZINC000995594765 704561600 /nfs/dbraw/zinc/56/16/00/704561600.db2.gz CLEJRDVLKWGAOT-CABCVRRESA-N 2 1 337.489 1.405 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccsc3)C(C)(C)C2)C1 ZINC000995594765 704561603 /nfs/dbraw/zinc/56/16/03/704561603.db2.gz CLEJRDVLKWGAOT-CABCVRRESA-N 2 1 337.489 1.405 20 0 EDADMP Cc1nonc1C[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997735354 704627687 /nfs/dbraw/zinc/62/76/87/704627687.db2.gz LHUHXVHFNLJQAD-ZDUSSCGKSA-N 2 1 349.479 1.437 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CCc2ccccc2)CC[NH+](C)C)C1 ZINC000072985476 704687373 /nfs/dbraw/zinc/68/73/73/704687373.db2.gz DISOZKKPXBGVSW-GOSISDBHSA-N 2 1 333.476 1.340 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(CCc2ccccc2)CC[NH+](C)C)C1 ZINC000072985476 704687376 /nfs/dbraw/zinc/68/73/76/704687376.db2.gz DISOZKKPXBGVSW-GOSISDBHSA-N 2 1 333.476 1.340 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3ccccn3)CC2)O1 ZINC000997855673 704764250 /nfs/dbraw/zinc/76/42/50/704764250.db2.gz OIMZPPXDDUOIBI-CRAIPNDOSA-N 2 1 346.475 1.129 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3ccccn3)CC2)O1 ZINC000997855673 704764252 /nfs/dbraw/zinc/76/42/52/704764252.db2.gz OIMZPPXDDUOIBI-CRAIPNDOSA-N 2 1 346.475 1.129 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944945507 704798518 /nfs/dbraw/zinc/79/85/18/704798518.db2.gz RQOOHRIPTXIAQB-PBHICJAKSA-N 2 1 334.464 1.659 20 0 EDADMP Cc1ncccc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944946240 704799449 /nfs/dbraw/zinc/79/94/49/704799449.db2.gz VYPKKMJOFWDLIM-MAUKXSAKSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)s1 ZINC000944946592 704799722 /nfs/dbraw/zinc/79/97/22/704799722.db2.gz XHMGAAGMAPQHMN-WBMJQRKESA-N 2 1 347.488 1.983 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)s1 ZINC000944946592 704799723 /nfs/dbraw/zinc/79/97/23/704799723.db2.gz XHMGAAGMAPQHMN-WBMJQRKESA-N 2 1 347.488 1.983 20 0 EDADMP COCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040462845 704832651 /nfs/dbraw/zinc/83/26/51/704832651.db2.gz DAMRVQJEURYFTI-LJQANCHMSA-N 2 1 337.508 1.679 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944964884 704833379 /nfs/dbraw/zinc/83/33/79/704833379.db2.gz MSXSQTVGMQPRMR-DOMZBBRYSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1ncsc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944964884 704833386 /nfs/dbraw/zinc/83/33/86/704833386.db2.gz MSXSQTVGMQPRMR-DOMZBBRYSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1nccn1CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C[C@H]1C ZINC000944966017 704837894 /nfs/dbraw/zinc/83/78/94/704837894.db2.gz WVXQLCBOTWQCFH-PBHICJAKSA-N 2 1 327.432 1.613 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C[C@H]1C ZINC000944966017 704837903 /nfs/dbraw/zinc/83/79/03/704837903.db2.gz WVXQLCBOTWQCFH-PBHICJAKSA-N 2 1 327.432 1.613 20 0 EDADMP Cc1nccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnccc2C)C[C@H]1C ZINC000944966385 704838629 /nfs/dbraw/zinc/83/86/29/704838629.db2.gz YYKUARAPMGLDMS-CRAIPNDOSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnccc2C)C[C@H]1C ZINC000944966385 704838635 /nfs/dbraw/zinc/83/86/35/704838635.db2.gz YYKUARAPMGLDMS-CRAIPNDOSA-N 2 1 341.459 1.922 20 0 EDADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032584035 705035885 /nfs/dbraw/zinc/03/58/85/705035885.db2.gz LPKZZAXYEXDTFI-OKZBNKHCSA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032584035 705035887 /nfs/dbraw/zinc/03/58/87/705035887.db2.gz LPKZZAXYEXDTFI-OKZBNKHCSA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCCO ZINC001032584035 705035888 /nfs/dbraw/zinc/03/58/88/705035888.db2.gz LPKZZAXYEXDTFI-OKZBNKHCSA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCCO ZINC001032584035 705035893 /nfs/dbraw/zinc/03/58/93/705035893.db2.gz LPKZZAXYEXDTFI-OKZBNKHCSA-N 2 1 335.492 1.451 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@@H]2CC(C)(C)CO2)CC[N@H+]1C ZINC001032587389 705111307 /nfs/dbraw/zinc/11/13/07/705111307.db2.gz WSTPTQZJEKQHMC-ATIWLJMLSA-N 2 1 349.519 1.817 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CC(C)(C)CO2)CC[NH+]1C ZINC001032587389 705111310 /nfs/dbraw/zinc/11/13/10/705111310.db2.gz WSTPTQZJEKQHMC-ATIWLJMLSA-N 2 1 349.519 1.817 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CC(C)(C)CO2)CC[NH+]1C ZINC001032587389 705111313 /nfs/dbraw/zinc/11/13/13/705111313.db2.gz WSTPTQZJEKQHMC-ATIWLJMLSA-N 2 1 349.519 1.817 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3cscn3)CC2)C1 ZINC000998083005 705311011 /nfs/dbraw/zinc/31/10/11/705311011.db2.gz SNMIQRBRTYFBHY-CQSZACIVSA-N 2 1 336.505 1.813 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CCC[N@H+](CCCF)CC1 ZINC000998189876 705495223 /nfs/dbraw/zinc/49/52/23/705495223.db2.gz OETSSCKECBTHKT-SJORKVTESA-N 2 1 343.487 1.770 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC000998189876 705495226 /nfs/dbraw/zinc/49/52/26/705495226.db2.gz OETSSCKECBTHKT-SJORKVTESA-N 2 1 343.487 1.770 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@@H]1CCC[NH+](CCCF)CC1 ZINC000998189876 705495227 /nfs/dbraw/zinc/49/52/27/705495227.db2.gz OETSSCKECBTHKT-SJORKVTESA-N 2 1 343.487 1.770 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@@H]1CCC[NH+](CCCF)CC1 ZINC000998189876 705495242 /nfs/dbraw/zinc/49/52/42/705495242.db2.gz OETSSCKECBTHKT-SJORKVTESA-N 2 1 343.487 1.770 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@@H]1CCOC1)[NH+](C)C ZINC001032612129 705587390 /nfs/dbraw/zinc/58/73/90/705587390.db2.gz WBVUHADWQLCSGK-VSZNYVQBSA-N 2 1 337.508 1.674 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)sn1 ZINC000998263944 705634177 /nfs/dbraw/zinc/63/41/77/705634177.db2.gz COASMIBKHSBUEF-HNNXBMFYSA-N 2 1 336.505 1.731 20 0 EDADMP Cc1ncsc1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998268082 705640073 /nfs/dbraw/zinc/64/00/73/705640073.db2.gz BBTWTPYYJXHBET-HNNXBMFYSA-N 2 1 336.505 1.731 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000998268680 705644945 /nfs/dbraw/zinc/64/49/45/705644945.db2.gz IBZAFBKBUDGDKT-CRAIPNDOSA-N 2 1 348.491 1.835 20 0 EDADMP COc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)ccn1 ZINC000998271481 705650855 /nfs/dbraw/zinc/65/08/55/705650855.db2.gz GMKIBASOHARHPH-KRWDZBQOSA-N 2 1 346.475 1.370 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998289443 705686588 /nfs/dbraw/zinc/68/65/88/705686588.db2.gz LZSIPJPGPDPSPO-MRXNPFEDSA-N 2 1 335.452 1.272 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCOCC2)C1 ZINC001032628860 705745807 /nfs/dbraw/zinc/74/58/07/705745807.db2.gz INBQBCWJKTYAQY-IRXDYDNUSA-N 2 1 335.492 1.430 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCOCC2)C1 ZINC001032628860 705745811 /nfs/dbraw/zinc/74/58/11/705745811.db2.gz INBQBCWJKTYAQY-IRXDYDNUSA-N 2 1 335.492 1.430 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCOCC2)C1 ZINC001032628860 705745814 /nfs/dbraw/zinc/74/58/14/705745814.db2.gz INBQBCWJKTYAQY-IRXDYDNUSA-N 2 1 335.492 1.430 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC(NCc2nnsc2Cl)C1 ZINC000998550644 705986898 /nfs/dbraw/zinc/98/68/98/705986898.db2.gz NWCAJIXXPJVAAU-RTYFJBAXSA-N 2 1 343.884 1.365 20 0 EDADMP CCCn1c(C)nnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998554593 705989114 /nfs/dbraw/zinc/98/91/14/705989114.db2.gz ZDGRAEQXQVTLGA-GPANFISMSA-N 2 1 348.495 1.170 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000998732351 706165329 /nfs/dbraw/zinc/16/53/29/706165329.db2.gz RSAVQSWPUDFNEZ-IAGOWNOFSA-N 2 1 333.480 1.175 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000998733145 706166022 /nfs/dbraw/zinc/16/60/22/706166022.db2.gz SSIBNFMUSKADHP-ZIAGYGMSSA-N 2 1 349.504 1.590 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000998733145 706166024 /nfs/dbraw/zinc/16/60/24/706166024.db2.gz SSIBNFMUSKADHP-ZIAGYGMSSA-N 2 1 349.504 1.590 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nn1C ZINC000998763206 706201964 /nfs/dbraw/zinc/20/19/64/706201964.db2.gz MHGFWPRXXCYQTQ-VMWRSERWSA-N 2 1 347.507 1.680 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC000998764591 706203971 /nfs/dbraw/zinc/20/39/71/706203971.db2.gz SJODFISIDULBDF-YMAMQOFZSA-N 2 1 335.452 1.330 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC000998764591 706203975 /nfs/dbraw/zinc/20/39/75/706203975.db2.gz SJODFISIDULBDF-YMAMQOFZSA-N 2 1 335.452 1.330 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(F)c3)C2)O1 ZINC000998985443 706402900 /nfs/dbraw/zinc/40/29/00/706402900.db2.gz YJHAYNPWRUVYMJ-HELAGCTPSA-N 2 1 349.450 1.624 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(F)c3)C2)O1 ZINC000998985443 706402903 /nfs/dbraw/zinc/40/29/03/706402903.db2.gz YJHAYNPWRUVYMJ-HELAGCTPSA-N 2 1 349.450 1.624 20 0 EDADMP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC000999126423 706550631 /nfs/dbraw/zinc/55/06/31/706550631.db2.gz NICWVJRPPUMVSD-UHFFFAOYSA-N 2 1 330.436 1.187 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000999354189 706843083 /nfs/dbraw/zinc/84/30/83/706843083.db2.gz PMUKDVZKLDWEEB-WBVHZDCISA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000999354189 706843085 /nfs/dbraw/zinc/84/30/85/706843085.db2.gz PMUKDVZKLDWEEB-WBVHZDCISA-N 2 1 348.495 1.159 20 0 EDADMP Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)cn1 ZINC000999372911 706867668 /nfs/dbraw/zinc/86/76/68/706867668.db2.gz PJNDPEYIEAWWJS-CVEARBPZSA-N 2 1 342.447 1.275 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000999377684 706872197 /nfs/dbraw/zinc/87/21/97/706872197.db2.gz WTSRQDDQPBZVCL-JKSUJKDBSA-N 2 1 343.431 1.838 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999362477 706876182 /nfs/dbraw/zinc/87/61/82/706876182.db2.gz BAURZIOFWQEOOL-WBVHZDCISA-N 2 1 348.495 1.027 20 0 EDADMP Cn1cc(CC[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)cn1 ZINC000999362913 706876418 /nfs/dbraw/zinc/87/64/18/706876418.db2.gz DPMIBNWGPDUXES-INIZCTEOSA-N 2 1 333.480 1.028 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)o1 ZINC000999366807 706880956 /nfs/dbraw/zinc/88/09/56/706880956.db2.gz CRDVSBAEHHKRFI-YOEHRIQHSA-N 2 1 334.464 1.658 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)o1 ZINC000999398997 706894004 /nfs/dbraw/zinc/89/40/04/706894004.db2.gz BJEXRVIKXASJAN-JQRITLKVSA-N 2 1 334.464 1.855 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999404355 706912985 /nfs/dbraw/zinc/91/29/85/706912985.db2.gz ZQGLAUCQIQMDEY-IRXDYDNUSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC000999405185 706914141 /nfs/dbraw/zinc/91/41/41/706914141.db2.gz CMAYQVLZTOCLAB-NVPAJSRCSA-N 2 1 331.464 1.348 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000999408046 706917963 /nfs/dbraw/zinc/91/79/63/706917963.db2.gz ZUGFJROLRJOFAA-ZLPCBKJTSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)ncn1 ZINC000999410357 706920193 /nfs/dbraw/zinc/92/01/93/706920193.db2.gz VQIAUOPDFUVGJR-UHFFFAOYSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c(C)o1 ZINC000999508286 707005659 /nfs/dbraw/zinc/00/56/59/707005659.db2.gz GWXDNLPKASEKGU-WBVHZDCISA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c(C)o1 ZINC000999508286 707005661 /nfs/dbraw/zinc/00/56/61/707005661.db2.gz GWXDNLPKASEKGU-WBVHZDCISA-N 2 1 334.464 1.856 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cn(CC3CC3)nn2)C1)[NH+](C)C ZINC000999489030 707025026 /nfs/dbraw/zinc/02/50/26/707025026.db2.gz IHTDNVHOBNXBGK-NVXWUHKLSA-N 2 1 348.495 1.109 20 0 EDADMP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999681850 707167259 /nfs/dbraw/zinc/16/72/59/707167259.db2.gz JWSRYPPFKJTCOF-IUDNXUCKSA-N 2 1 334.464 1.658 20 0 EDADMP C[NH+](C)CCc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1C[C@@H]1CCOC1 ZINC001038555359 707179714 /nfs/dbraw/zinc/17/97/14/707179714.db2.gz LTQCKTQSICUWKG-WMZOPIPTSA-N 2 1 345.487 1.631 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(C)[nH]3)C[C@H]2CC1)[NH+](C)C ZINC000946784115 707281734 /nfs/dbraw/zinc/28/17/34/707281734.db2.gz BZHKXCRXYMATCV-XHSDSOJGSA-N 2 1 348.495 1.124 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nnc(C)[nH]3)C[C@H]2CC1)[NH+](C)C ZINC000946784115 707281738 /nfs/dbraw/zinc/28/17/38/707281738.db2.gz BZHKXCRXYMATCV-XHSDSOJGSA-N 2 1 348.495 1.124 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C)nc2C)C1 ZINC001033264886 707287042 /nfs/dbraw/zinc/28/70/42/707287042.db2.gz DXIACUOGQCUTBN-GOSISDBHSA-N 2 1 341.459 1.936 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C)nc2C)C1 ZINC001033264886 707287045 /nfs/dbraw/zinc/28/70/45/707287045.db2.gz DXIACUOGQCUTBN-GOSISDBHSA-N 2 1 341.459 1.936 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033265428 707288921 /nfs/dbraw/zinc/28/89/21/707288921.db2.gz HDSYGICOGCOQED-QZTJIDSGSA-N 2 1 348.491 1.665 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033265428 707288924 /nfs/dbraw/zinc/28/89/24/707288924.db2.gz HDSYGICOGCOQED-QZTJIDSGSA-N 2 1 348.491 1.665 20 0 EDADMP O=C(Cc1cnc[nH]1)N1CC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2CC1 ZINC000946798416 707429850 /nfs/dbraw/zinc/42/98/50/707429850.db2.gz ZYQXCZWDYZWVKT-IYBDPMFKSA-N 2 1 339.443 1.718 20 0 EDADMP Cc1cccnc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199507 707449376 /nfs/dbraw/zinc/44/93/76/707449376.db2.gz UJDBFICJOBURKI-AEFFLSMTSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199507 707449380 /nfs/dbraw/zinc/44/93/80/707449380.db2.gz UJDBFICJOBURKI-AEFFLSMTSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033199507 707449383 /nfs/dbraw/zinc/44/93/83/707449383.db2.gz UJDBFICJOBURKI-AEFFLSMTSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033199507 707449388 /nfs/dbraw/zinc/44/93/88/707449388.db2.gz UJDBFICJOBURKI-AEFFLSMTSA-N 2 1 330.476 1.907 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ncc(Cl)s2)C1 ZINC000999828048 707456561 /nfs/dbraw/zinc/45/65/61/707456561.db2.gz BGDFJBOSKUOIMO-VOMCLLRMSA-N 2 1 342.896 1.827 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000999831397 707461313 /nfs/dbraw/zinc/46/13/13/707461313.db2.gz KPPPVCJATZXWBS-VQCLRJIVSA-N 2 1 332.448 1.583 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000999831397 707461319 /nfs/dbraw/zinc/46/13/19/707461319.db2.gz KPPPVCJATZXWBS-VQCLRJIVSA-N 2 1 332.448 1.583 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nccn2C(F)F)C1 ZINC000999831863 707461889 /nfs/dbraw/zinc/46/18/89/707461889.db2.gz MZXTYFAWAQNNLQ-PNESKVBLSA-N 2 1 341.406 1.309 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cc(F)ccc2F)C1 ZINC000999833694 707465866 /nfs/dbraw/zinc/46/58/66/707465866.db2.gz BTQIPICRESLGKC-UWTIGNOOSA-N 2 1 337.414 1.996 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033318072 707507475 /nfs/dbraw/zinc/50/74/75/707507475.db2.gz GHBOXQNLBHDJMU-KRWDZBQOSA-N 2 1 330.476 1.989 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033318072 707507476 /nfs/dbraw/zinc/50/74/76/707507476.db2.gz GHBOXQNLBHDJMU-KRWDZBQOSA-N 2 1 330.476 1.989 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999876884 707525408 /nfs/dbraw/zinc/52/54/08/707525408.db2.gz VPNFAJHMAZBUHX-JCYILVPMSA-N 2 1 333.480 1.374 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC000999971564 707581796 /nfs/dbraw/zinc/58/17/96/707581796.db2.gz BVZSWXOQRTVFRO-ZWKOTPCHSA-N 2 1 347.507 1.586 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cncn3C)C2)C1 ZINC001033353633 707608927 /nfs/dbraw/zinc/60/89/27/707608927.db2.gz HYZFMBDJAXFIOU-IRXDYDNUSA-N 2 1 347.507 1.575 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cncn3C)C2)C1 ZINC001033353633 707608929 /nfs/dbraw/zinc/60/89/29/707608929.db2.gz HYZFMBDJAXFIOU-IRXDYDNUSA-N 2 1 347.507 1.575 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cncn3C)C2)C1 ZINC001033353633 707608930 /nfs/dbraw/zinc/60/89/30/707608930.db2.gz HYZFMBDJAXFIOU-IRXDYDNUSA-N 2 1 347.507 1.575 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cncn3C)C2)C1 ZINC001033353633 707608932 /nfs/dbraw/zinc/60/89/32/707608932.db2.gz HYZFMBDJAXFIOU-IRXDYDNUSA-N 2 1 347.507 1.575 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999993603 707670941 /nfs/dbraw/zinc/67/09/41/707670941.db2.gz WWIIEQNZAFCGFC-DLBZAZTESA-N 2 1 348.495 1.422 20 0 EDADMP CC(C)[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999993603 707670944 /nfs/dbraw/zinc/67/09/44/707670944.db2.gz WWIIEQNZAFCGFC-DLBZAZTESA-N 2 1 348.495 1.422 20 0 EDADMP CC(C)[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)nn2)C1 ZINC000999993603 707670947 /nfs/dbraw/zinc/67/09/47/707670947.db2.gz WWIIEQNZAFCGFC-DLBZAZTESA-N 2 1 348.495 1.422 20 0 EDADMP COc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391499 707723805 /nfs/dbraw/zinc/72/38/05/707723805.db2.gz UBXRLMPBQBESEW-KRWDZBQOSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391499 707723809 /nfs/dbraw/zinc/72/38/09/707723809.db2.gz UBXRLMPBQBESEW-KRWDZBQOSA-N 2 1 346.475 1.465 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001033397028 707736548 /nfs/dbraw/zinc/73/65/48/707736548.db2.gz RBSFIJCCKLWWFZ-MRXNPFEDSA-N 2 1 346.475 1.927 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001033397028 707736552 /nfs/dbraw/zinc/73/65/52/707736552.db2.gz RBSFIJCCKLWWFZ-MRXNPFEDSA-N 2 1 346.475 1.927 20 0 EDADMP COCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033421717 707835661 /nfs/dbraw/zinc/83/56/61/707835661.db2.gz GUNBNBHHBAJZTL-GOSISDBHSA-N 2 1 333.476 1.583 20 0 EDADMP Cc1nc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)co1 ZINC001004991674 707856329 /nfs/dbraw/zinc/85/63/29/707856329.db2.gz LPUMVCNKXUKUCA-RHSMWYFYSA-N 2 1 334.464 1.938 20 0 EDADMP CCOC1CC(C[N@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001033228894 707879433 /nfs/dbraw/zinc/87/94/33/707879433.db2.gz PSAQBIVLZOZEGQ-ADKAHSJRSA-N 2 1 349.519 1.963 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033463967 707917990 /nfs/dbraw/zinc/91/79/90/707917990.db2.gz CCZFCLACGQEGHW-CVEARBPZSA-N 2 1 334.464 1.576 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033463967 707917992 /nfs/dbraw/zinc/91/79/92/707917992.db2.gz CCZFCLACGQEGHW-CVEARBPZSA-N 2 1 334.464 1.576 20 0 EDADMP C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475318 707964766 /nfs/dbraw/zinc/96/47/66/707964766.db2.gz OKIAUGPJFBSVDH-RDJZCZTQSA-N 2 1 345.491 1.802 20 0 EDADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475318 707964768 /nfs/dbraw/zinc/96/47/68/707964768.db2.gz OKIAUGPJFBSVDH-RDJZCZTQSA-N 2 1 345.491 1.802 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCc2cccc(F)c2)C1 ZINC001032781404 707968698 /nfs/dbraw/zinc/96/86/98/707968698.db2.gz UJZVRHLVHQSGEU-NEWSRXKRSA-N 2 1 345.462 1.995 20 0 EDADMP COCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC001032781699 707969698 /nfs/dbraw/zinc/96/96/98/707969698.db2.gz FTITXJNABUBGEN-FHWLQOOXSA-N 2 1 343.471 1.570 20 0 EDADMP COCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC001032781699 707969700 /nfs/dbraw/zinc/96/97/00/707969700.db2.gz FTITXJNABUBGEN-FHWLQOOXSA-N 2 1 343.471 1.570 20 0 EDADMP COCc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001032781699 707969701 /nfs/dbraw/zinc/96/97/01/707969701.db2.gz FTITXJNABUBGEN-FHWLQOOXSA-N 2 1 343.471 1.570 20 0 EDADMP COCc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001032781699 707969703 /nfs/dbraw/zinc/96/97/03/707969703.db2.gz FTITXJNABUBGEN-FHWLQOOXSA-N 2 1 343.471 1.570 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1C)C1CCC1 ZINC001032784097 707982139 /nfs/dbraw/zinc/98/21/39/707982139.db2.gz GYXJJAGNYSBCQE-ULQDDVLXSA-N 2 1 332.448 1.292 20 0 EDADMP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C)C1CCC1 ZINC001032784097 707982142 /nfs/dbraw/zinc/98/21/42/707982142.db2.gz GYXJJAGNYSBCQE-ULQDDVLXSA-N 2 1 332.448 1.292 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C)C1CCC1 ZINC001032784097 707982145 /nfs/dbraw/zinc/98/21/45/707982145.db2.gz GYXJJAGNYSBCQE-ULQDDVLXSA-N 2 1 332.448 1.292 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1)[NH+]1CCCC1 ZINC001032803836 708091391 /nfs/dbraw/zinc/09/13/91/708091391.db2.gz NEEOQVSNIXSVKC-LNLFQRSKSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1)[NH+]1CCCC1 ZINC001032803836 708091395 /nfs/dbraw/zinc/09/13/95/708091395.db2.gz NEEOQVSNIXSVKC-LNLFQRSKSA-N 2 1 349.519 1.961 20 0 EDADMP CCn1cc(CC[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC001005183688 708134300 /nfs/dbraw/zinc/13/43/00/708134300.db2.gz JNVMRODKWODUBP-SFHVURJKSA-N 2 1 347.507 1.463 20 0 EDADMP CO[C@H](C)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001401204 708138054 /nfs/dbraw/zinc/13/80/54/708138054.db2.gz CKIRXUHFUZEJMH-NVXWUHKLSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033531151 708154012 /nfs/dbraw/zinc/15/40/12/708154012.db2.gz KELGUWORZLNJRV-SFHVURJKSA-N 2 1 347.507 1.493 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033531151 708154014 /nfs/dbraw/zinc/15/40/14/708154014.db2.gz KELGUWORZLNJRV-SFHVURJKSA-N 2 1 347.507 1.493 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033686181 708500252 /nfs/dbraw/zinc/50/02/52/708500252.db2.gz OCFRKEKHHCZTKZ-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033686181 708500254 /nfs/dbraw/zinc/50/02/54/708500254.db2.gz OCFRKEKHHCZTKZ-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033686181 708500256 /nfs/dbraw/zinc/50/02/56/708500256.db2.gz OCFRKEKHHCZTKZ-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033686181 708500258 /nfs/dbraw/zinc/50/02/58/708500258.db2.gz OCFRKEKHHCZTKZ-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP Cc1cnc(C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC001002044047 708535065 /nfs/dbraw/zinc/53/50/65/708535065.db2.gz WJGCSGDQRFPVTI-UHFFFAOYSA-N 2 1 332.448 1.407 20 0 EDADMP Cc1nnc([C@@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002122162 708635515 /nfs/dbraw/zinc/63/55/15/708635515.db2.gz AEZNFCUNIDHQOJ-IUODEOHRSA-N 2 1 335.452 1.219 20 0 EDADMP Cc1nnc([C@@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002122162 708635518 /nfs/dbraw/zinc/63/55/18/708635518.db2.gz AEZNFCUNIDHQOJ-IUODEOHRSA-N 2 1 335.452 1.219 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001002128119 708644828 /nfs/dbraw/zinc/64/48/28/708644828.db2.gz UYGOFNJDTPTWLQ-DOTOQJQBSA-N 2 1 345.491 1.626 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC001002128821 708645656 /nfs/dbraw/zinc/64/56/56/708645656.db2.gz ZQQUHLBFSSNZMB-IRXDYDNUSA-N 2 1 337.508 1.581 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033830967 708852662 /nfs/dbraw/zinc/85/26/62/708852662.db2.gz QRXVAIDNTKFKFC-MJGOQNOKSA-N 2 1 349.519 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2nocc2C)C1 ZINC001033837866 708867849 /nfs/dbraw/zinc/86/78/49/708867849.db2.gz KMUTYAJYDHHKGN-BZUAXINKSA-N 2 1 334.464 1.746 20 0 EDADMP Cc1nnc([C@H](C)N2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001005406442 708904493 /nfs/dbraw/zinc/90/44/93/708904493.db2.gz AZOATLHPPNOIOG-DVOMOZLQSA-N 2 1 349.479 1.702 20 0 EDADMP CN(C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)C1CC[NH+](CCCO)CC1 ZINC001005406829 708936647 /nfs/dbraw/zinc/93/66/47/708936647.db2.gz GYUXOZNEWWRVGP-KRWDZBQOSA-N 2 1 349.479 1.095 20 0 EDADMP CN(C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)C1CC[NH+](CCCO)CC1 ZINC001005406829 708936650 /nfs/dbraw/zinc/93/66/50/708936650.db2.gz GYUXOZNEWWRVGP-KRWDZBQOSA-N 2 1 349.479 1.095 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001002445744 708967287 /nfs/dbraw/zinc/96/72/87/708967287.db2.gz XMRRTHJGRMNNJM-MRXNPFEDSA-N 2 1 332.448 1.265 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001002445744 708967289 /nfs/dbraw/zinc/96/72/89/708967289.db2.gz XMRRTHJGRMNNJM-MRXNPFEDSA-N 2 1 332.448 1.265 20 0 EDADMP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001033895964 709013171 /nfs/dbraw/zinc/01/31/71/709013171.db2.gz FLBYPIWRDHKBBL-INIZCTEOSA-N 2 1 343.431 1.450 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033906364 709036407 /nfs/dbraw/zinc/03/64/07/709036407.db2.gz OCWBLVWAQBQGDN-SFANZJOMSA-N 2 1 349.519 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001033906364 709036409 /nfs/dbraw/zinc/03/64/09/709036409.db2.gz OCWBLVWAQBQGDN-SFANZJOMSA-N 2 1 349.519 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001033906364 709036413 /nfs/dbraw/zinc/03/64/13/709036413.db2.gz OCWBLVWAQBQGDN-SFANZJOMSA-N 2 1 349.519 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033907204 709038474 /nfs/dbraw/zinc/03/84/74/709038474.db2.gz RMSKDKQILSLWDL-NNVNDSJASA-N 2 1 347.503 1.739 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001033907204 709038475 /nfs/dbraw/zinc/03/84/75/709038475.db2.gz RMSKDKQILSLWDL-NNVNDSJASA-N 2 1 347.503 1.739 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001033907204 709038479 /nfs/dbraw/zinc/03/84/79/709038479.db2.gz RMSKDKQILSLWDL-NNVNDSJASA-N 2 1 347.503 1.739 20 0 EDADMP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033930774 709080466 /nfs/dbraw/zinc/08/04/66/709080466.db2.gz ANHUWQISJMZOTF-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033930774 709080469 /nfs/dbraw/zinc/08/04/69/709080469.db2.gz ANHUWQISJMZOTF-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033930774 709080472 /nfs/dbraw/zinc/08/04/72/709080472.db2.gz ANHUWQISJMZOTF-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033930774 709080474 /nfs/dbraw/zinc/08/04/74/709080474.db2.gz ANHUWQISJMZOTF-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC001002537464 709082481 /nfs/dbraw/zinc/08/24/81/709082481.db2.gz YEYSEGNUQBOKDV-IBGZPJMESA-N 2 1 345.487 1.530 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC001002537464 709082484 /nfs/dbraw/zinc/08/24/84/709082484.db2.gz YEYSEGNUQBOKDV-IBGZPJMESA-N 2 1 345.487 1.530 20 0 EDADMP COc1cncc(CN2CCCC[C@@H](NC(=O)[C@@H]3CCCN3C)C2)n1 ZINC001034130257 709399253 /nfs/dbraw/zinc/39/92/53/709399253.db2.gz HFNWUYUIUGGUHW-ZBFHGGJFSA-N 2 1 347.463 1.050 20 0 EDADMP CCn1cc(CC[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001034130865 709400277 /nfs/dbraw/zinc/40/02/77/709400277.db2.gz LBGGXYPQFRPFMQ-MSOLQXFVSA-N 2 1 347.507 1.510 20 0 EDADMP CCn1cc(CC[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001034130865 709400280 /nfs/dbraw/zinc/40/02/80/709400280.db2.gz LBGGXYPQFRPFMQ-MSOLQXFVSA-N 2 1 347.507 1.510 20 0 EDADMP CCn1cc(CC[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001034130865 709400281 /nfs/dbraw/zinc/40/02/81/709400281.db2.gz LBGGXYPQFRPFMQ-MSOLQXFVSA-N 2 1 347.507 1.510 20 0 EDADMP Cc1nccnc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034215697 709569648 /nfs/dbraw/zinc/56/96/48/709569648.db2.gz CEJFTZWPECFDJG-IXDOHACOSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nccnc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034215697 709569652 /nfs/dbraw/zinc/56/96/52/709569652.db2.gz CEJFTZWPECFDJG-IXDOHACOSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nccnc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034215697 709569653 /nfs/dbraw/zinc/56/96/53/709569653.db2.gz CEJFTZWPECFDJG-IXDOHACOSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034215697 709569657 /nfs/dbraw/zinc/56/96/57/709569657.db2.gz CEJFTZWPECFDJG-IXDOHACOSA-N 2 1 345.491 1.596 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccns3)C2)CC[N@@H+]1C ZINC001034216165 709570382 /nfs/dbraw/zinc/57/03/82/709570382.db2.gz FFHGPFRKIIVSLK-IJEWVQPXSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccns3)C2)CC[N@H+]1C ZINC001034216165 709570384 /nfs/dbraw/zinc/57/03/84/709570384.db2.gz FFHGPFRKIIVSLK-IJEWVQPXSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccns3)C2)CC[NH+]1C ZINC001034216165 709570386 /nfs/dbraw/zinc/57/03/86/709570386.db2.gz FFHGPFRKIIVSLK-IJEWVQPXSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccns3)C2)CC[NH+]1C ZINC001034216165 709570388 /nfs/dbraw/zinc/57/03/88/709570388.db2.gz FFHGPFRKIIVSLK-IJEWVQPXSA-N 2 1 336.505 1.954 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[NH+](CCCO)C1 ZINC001034248528 709609989 /nfs/dbraw/zinc/60/99/89/709609989.db2.gz DCLAALZUNJVFPD-IAGOWNOFSA-N 2 1 325.497 1.602 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[N@H+](CCCO)C1 ZINC001034248528 709609990 /nfs/dbraw/zinc/60/99/90/709609990.db2.gz DCLAALZUNJVFPD-IAGOWNOFSA-N 2 1 325.497 1.602 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1 ZINC001034248528 709609992 /nfs/dbraw/zinc/60/99/92/709609992.db2.gz DCLAALZUNJVFPD-IAGOWNOFSA-N 2 1 325.497 1.602 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ocnc2C)CC1 ZINC001002956603 709659933 /nfs/dbraw/zinc/65/99/33/709659933.db2.gz WVFPHMXBVQOVTA-INIZCTEOSA-N 2 1 334.464 1.938 20 0 EDADMP CO[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290430 709715448 /nfs/dbraw/zinc/71/54/48/709715448.db2.gz GIJDQLNCSHLOTI-GOEBONIOSA-N 2 1 330.432 1.954 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)nc(C)[nH+]1 ZINC001061213938 709737524 /nfs/dbraw/zinc/73/75/24/709737524.db2.gz JFQVVJILPUTAKY-INIZCTEOSA-N 2 1 331.464 1.616 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](CCc2cnn(C)c2)C1 ZINC001034309395 709750880 /nfs/dbraw/zinc/75/08/80/709750880.db2.gz LLKZTAMAAPWGOZ-QGZVFWFLSA-N 2 1 344.463 1.138 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](CCc2cnn(C)c2)C1 ZINC001034309395 709750884 /nfs/dbraw/zinc/75/08/84/709750884.db2.gz LLKZTAMAAPWGOZ-QGZVFWFLSA-N 2 1 344.463 1.138 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CCC1 ZINC000922117523 709751062 /nfs/dbraw/zinc/75/10/62/709751062.db2.gz RHWMVEXRANNOCO-KBPBESRZSA-N 2 1 326.510 1.350 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](C[C@H]2CCCCO2)C1 ZINC001034309932 709753180 /nfs/dbraw/zinc/75/31/80/709753180.db2.gz RALHTIBODJYREQ-IAGOWNOFSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001034309932 709753181 /nfs/dbraw/zinc/75/31/81/709753181.db2.gz RALHTIBODJYREQ-IAGOWNOFSA-N 2 1 334.464 1.731 20 0 EDADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319122 709768539 /nfs/dbraw/zinc/76/85/39/709768539.db2.gz GRHKRHUCDAUGOO-NRGCRIOASA-N 2 1 349.519 1.866 20 0 EDADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034319122 709768542 /nfs/dbraw/zinc/76/85/42/709768542.db2.gz GRHKRHUCDAUGOO-NRGCRIOASA-N 2 1 349.519 1.866 20 0 EDADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034319122 709768546 /nfs/dbraw/zinc/76/85/46/709768546.db2.gz GRHKRHUCDAUGOO-NRGCRIOASA-N 2 1 349.519 1.866 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1)CC2 ZINC001034365789 709888086 /nfs/dbraw/zinc/88/80/86/709888086.db2.gz URTWJXRGNUOSKW-HZPDHXFCSA-N 2 1 334.464 1.107 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1)CC2 ZINC001034365789 709888087 /nfs/dbraw/zinc/88/80/87/709888087.db2.gz URTWJXRGNUOSKW-HZPDHXFCSA-N 2 1 334.464 1.107 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC[C@H]3CCOC3)C2)CC1 ZINC001034378266 709898881 /nfs/dbraw/zinc/89/88/81/709898881.db2.gz QNEUQTQOULTALL-FUHWJXTLSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)o1 ZINC001034395670 709934226 /nfs/dbraw/zinc/93/42/26/709934226.db2.gz BIMQQSIJBMLLAP-GDBMZVCRSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)o1 ZINC001034395670 709934227 /nfs/dbraw/zinc/93/42/27/709934227.db2.gz BIMQQSIJBMLLAP-GDBMZVCRSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)o1 ZINC001034395670 709934229 /nfs/dbraw/zinc/93/42/29/709934229.db2.gz BIMQQSIJBMLLAP-GDBMZVCRSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)o1 ZINC001034395670 709934231 /nfs/dbraw/zinc/93/42/31/709934231.db2.gz BIMQQSIJBMLLAP-GDBMZVCRSA-N 2 1 334.464 1.938 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3cccnc3)C2)C1 ZINC001034402662 709948408 /nfs/dbraw/zinc/94/84/08/709948408.db2.gz RUZUETQSQNPKLU-AEFFLSMTSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](Cc3cccnc3)C2)C1 ZINC001034402662 709948409 /nfs/dbraw/zinc/94/84/09/709948409.db2.gz RUZUETQSQNPKLU-AEFFLSMTSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](Cc3cccnc3)C2)C1 ZINC001034402662 709948411 /nfs/dbraw/zinc/94/84/11/709948411.db2.gz RUZUETQSQNPKLU-AEFFLSMTSA-N 2 1 330.476 1.894 20 0 EDADMP COC[C@@H](C)[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034463745 710033474 /nfs/dbraw/zinc/03/34/74/710033474.db2.gz VNGBQNSMYVOKQT-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP CO[C@@H](C[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC001034491561 710111669 /nfs/dbraw/zinc/11/16/69/710111669.db2.gz UTCDWFZOPCROGJ-MSOLQXFVSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1ccncc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034523860 710171921 /nfs/dbraw/zinc/17/19/21/710171921.db2.gz CELWXKAVVCFDJF-AEFFLSMTSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ccncc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034523860 710171924 /nfs/dbraw/zinc/17/19/24/710171924.db2.gz CELWXKAVVCFDJF-AEFFLSMTSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ccncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034523860 710171927 /nfs/dbraw/zinc/17/19/27/710171927.db2.gz CELWXKAVVCFDJF-AEFFLSMTSA-N 2 1 330.476 1.812 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034526488 710178498 /nfs/dbraw/zinc/17/84/98/710178498.db2.gz YPVBDRAPLMOKQK-HOTGVXAUSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001034526488 710178500 /nfs/dbraw/zinc/17/85/00/710178500.db2.gz YPVBDRAPLMOKQK-HOTGVXAUSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034526488 710178501 /nfs/dbraw/zinc/17/85/01/710178501.db2.gz YPVBDRAPLMOKQK-HOTGVXAUSA-N 2 1 348.491 1.968 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001034527503 710180838 /nfs/dbraw/zinc/18/08/38/710180838.db2.gz FCLQKSKVSIZXOU-RBUKOAKNSA-N 2 1 345.487 1.787 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001034529572 710184638 /nfs/dbraw/zinc/18/46/38/710184638.db2.gz JNYCZIFKTHKSFO-QZTJIDSGSA-N 2 1 348.491 1.979 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001034529572 710184640 /nfs/dbraw/zinc/18/46/40/710184640.db2.gz JNYCZIFKTHKSFO-QZTJIDSGSA-N 2 1 348.491 1.979 20 0 EDADMP CCN1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001034534519 710206054 /nfs/dbraw/zinc/20/60/54/710206054.db2.gz LYYYRJKDFKXNFJ-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC001034534519 710206057 /nfs/dbraw/zinc/20/60/57/710206057.db2.gz LYYYRJKDFKXNFJ-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC001034534519 710206058 /nfs/dbraw/zinc/20/60/58/710206058.db2.gz LYYYRJKDFKXNFJ-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001034534519 710206065 /nfs/dbraw/zinc/20/60/65/710206065.db2.gz LYYYRJKDFKXNFJ-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP O=C(NC1CC[NH+](CCC2CC2)CC1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001003330333 710264239 /nfs/dbraw/zinc/26/42/39/710264239.db2.gz AVHGAXMAGLGNAC-URSIVYNOSA-N 2 1 333.476 1.230 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001034606625 710270010 /nfs/dbraw/zinc/27/00/10/710270010.db2.gz CYMFRNWUPSWVSJ-IHRRRGAJSA-N 2 1 335.452 1.243 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001034606625 710270012 /nfs/dbraw/zinc/27/00/12/710270012.db2.gz CYMFRNWUPSWVSJ-IHRRRGAJSA-N 2 1 335.452 1.243 20 0 EDADMP CCc1ccc([C@@H](O)C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032838306 710279287 /nfs/dbraw/zinc/27/92/87/710279287.db2.gz HWWVCGFHPLKAAN-QRVBRYPASA-N 2 1 345.487 1.567 20 0 EDADMP CCc1ccc([C@@H](O)C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001032838306 710279290 /nfs/dbraw/zinc/27/92/90/710279290.db2.gz HWWVCGFHPLKAAN-QRVBRYPASA-N 2 1 345.487 1.567 20 0 EDADMP CCc1ccc([C@@H](O)C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001032838306 710279293 /nfs/dbraw/zinc/27/92/93/710279293.db2.gz HWWVCGFHPLKAAN-QRVBRYPASA-N 2 1 345.487 1.567 20 0 EDADMP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032840051 710289257 /nfs/dbraw/zinc/28/92/57/710289257.db2.gz CGLVJMHZWHLJAT-YHUYYLMFSA-N 2 1 331.464 1.458 20 0 EDADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032840051 710289259 /nfs/dbraw/zinc/28/92/59/710289259.db2.gz CGLVJMHZWHLJAT-YHUYYLMFSA-N 2 1 331.464 1.458 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001032840051 710289262 /nfs/dbraw/zinc/28/92/62/710289262.db2.gz CGLVJMHZWHLJAT-YHUYYLMFSA-N 2 1 331.464 1.458 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001032840051 710289264 /nfs/dbraw/zinc/28/92/64/710289264.db2.gz CGLVJMHZWHLJAT-YHUYYLMFSA-N 2 1 331.464 1.458 20 0 EDADMP CCc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001034608284 710300394 /nfs/dbraw/zinc/30/03/94/710300394.db2.gz ZGMHXTHFLDDCEX-AJNGGQMLSA-N 2 1 349.479 1.804 20 0 EDADMP CCc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001034608284 710300396 /nfs/dbraw/zinc/30/03/96/710300396.db2.gz ZGMHXTHFLDDCEX-AJNGGQMLSA-N 2 1 349.479 1.804 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001034645107 710321483 /nfs/dbraw/zinc/32/14/83/710321483.db2.gz QHVMDJUICYQEHG-KCYZZUKISA-N 2 1 347.463 1.461 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nccn3C)CC2)CC[N@H+]1C ZINC001034647458 710324296 /nfs/dbraw/zinc/32/42/96/710324296.db2.gz IKUQGOZXACBCND-KLHDSHLOSA-N 2 1 333.480 1.277 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](C[C@H](C)OC)CC2)C1 ZINC001003482310 710376718 /nfs/dbraw/zinc/37/67/18/710376718.db2.gz FROVSKOEDVYIMZ-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccnn3C)CC2)C1 ZINC001003482645 710377036 /nfs/dbraw/zinc/37/70/36/710377036.db2.gz JEKCNECAKOYELW-INIZCTEOSA-N 2 1 347.507 1.623 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccnn3C)CC2)C1 ZINC001003482645 710377038 /nfs/dbraw/zinc/37/70/38/710377038.db2.gz JEKCNECAKOYELW-INIZCTEOSA-N 2 1 347.507 1.623 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCCCO3)CC2)CC[N@H+]1C ZINC001003509219 710390258 /nfs/dbraw/zinc/39/02/58/710390258.db2.gz ZIFQMCDTVSQSMR-BQFCYCMXSA-N 2 1 337.508 1.866 20 0 EDADMP CN(C)c1cc[nH+]c(CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000922203356 710416284 /nfs/dbraw/zinc/41/62/84/710416284.db2.gz BYGWLECXKGYAKO-QGZVFWFLSA-N 2 1 331.464 1.964 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](C[C@@H]3CCCCO3)CC2)C1 ZINC001003631116 710460365 /nfs/dbraw/zinc/46/03/65/710460365.db2.gz RHOWWSSFCAGEPF-KRWDZBQOSA-N 2 1 337.508 1.868 20 0 EDADMP CCn1cc(CC[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC001003632794 710461248 /nfs/dbraw/zinc/46/12/48/710461248.db2.gz CIXQUAKKURLQFE-MAUKXSAKSA-N 2 1 347.507 1.224 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003633766 710461841 /nfs/dbraw/zinc/46/18/41/710461841.db2.gz HRQRJXUXTBPABT-GUYCJALGSA-N 2 1 333.480 1.007 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001003715150 710507484 /nfs/dbraw/zinc/50/74/84/710507484.db2.gz JAEMRYXFOPIZLF-UHFFFAOYSA-N 2 1 344.463 1.484 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034692644 710782427 /nfs/dbraw/zinc/78/24/27/710782427.db2.gz MNRWLAADHUDGRM-BRWVUGGUSA-N 2 1 334.464 1.635 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ncccn3)CC2)CC[N@H+]1C ZINC001034716473 710858204 /nfs/dbraw/zinc/85/82/04/710858204.db2.gz KKMBVDWUFRDMQN-QAETUUGQSA-N 2 1 345.491 1.724 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)C1CC[NH+](Cc2cncn2C)CC1 ZINC001005661991 710874270 /nfs/dbraw/zinc/87/42/70/710874270.db2.gz DHIGTNQKFRWPEK-UHFFFAOYSA-N 2 1 345.491 1.471 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccn2C)CC1 ZINC001034734988 710919258 /nfs/dbraw/zinc/91/92/58/710919258.db2.gz CZJDSVNPQBUVQV-JYJNAYRXSA-N 2 1 333.480 1.421 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)s1 ZINC001032946216 710927008 /nfs/dbraw/zinc/92/70/08/710927008.db2.gz UVWCJSMOBKOPJQ-GJZGRUSLSA-N 2 1 336.505 1.887 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)s1 ZINC001032946216 710927010 /nfs/dbraw/zinc/92/70/10/710927010.db2.gz UVWCJSMOBKOPJQ-GJZGRUSLSA-N 2 1 336.505 1.887 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)s1 ZINC001032946216 710927015 /nfs/dbraw/zinc/92/70/15/710927015.db2.gz UVWCJSMOBKOPJQ-GJZGRUSLSA-N 2 1 336.505 1.887 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC001034737525 710950238 /nfs/dbraw/zinc/95/02/38/710950238.db2.gz LHGPEEGTUICLMU-TUVASFSCSA-N 2 1 349.479 1.347 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC001034737525 710950240 /nfs/dbraw/zinc/95/02/40/710950240.db2.gz LHGPEEGTUICLMU-TUVASFSCSA-N 2 1 349.479 1.347 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C[C@H](C)O)CC1 ZINC001003940506 711034004 /nfs/dbraw/zinc/03/40/04/711034004.db2.gz LETMSVUSWJFKNX-DOTOQJQBSA-N 2 1 325.497 1.602 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034775761 711050345 /nfs/dbraw/zinc/05/03/45/711050345.db2.gz UCAFMCVKPNPFJT-BRWVUGGUSA-N 2 1 325.497 1.650 20 0 EDADMP Cn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034778350 711079532 /nfs/dbraw/zinc/07/95/32/711079532.db2.gz HYXSZFIYOBCIKV-JYJNAYRXSA-N 2 1 333.480 1.279 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000922335613 711086439 /nfs/dbraw/zinc/08/64/39/711086439.db2.gz SQINCYSHSFYSGB-IEBWSBKVSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000922335613 711086441 /nfs/dbraw/zinc/08/64/41/711086441.db2.gz SQINCYSHSFYSGB-IEBWSBKVSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000922335613 711086444 /nfs/dbraw/zinc/08/64/44/711086444.db2.gz SQINCYSHSFYSGB-IEBWSBKVSA-N 2 1 330.476 1.902 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](Cc2cccnc2)CC1 ZINC001005714452 711102274 /nfs/dbraw/zinc/10/22/74/711102274.db2.gz RENIUVSGWZNFAC-UHFFFAOYSA-N 2 1 327.432 1.710 20 0 EDADMP CCc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001034792416 711119278 /nfs/dbraw/zinc/11/92/78/711119278.db2.gz JCZNWPLXHRTVEQ-XGUBFFRZSA-N 2 1 349.479 1.662 20 0 EDADMP Cc1noc(CCC[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003977773 711150739 /nfs/dbraw/zinc/15/07/39/711150739.db2.gz XECQTOFLUOQDAI-OAHLLOKOSA-N 2 1 349.479 1.233 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001003983571 711182637 /nfs/dbraw/zinc/18/26/37/711182637.db2.gz OQRCNQAWAJRXSM-UHFFFAOYSA-N 2 1 342.447 1.239 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001034954903 711421828 /nfs/dbraw/zinc/42/18/28/711421828.db2.gz XCNSBPOSZVZQSA-SJORKVTESA-N 2 1 333.480 1.375 20 0 EDADMP CCCn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001034971008 711450619 /nfs/dbraw/zinc/45/06/19/711450619.db2.gz AKTNAJBNOUUMHC-HUUCEWRRSA-N 2 1 336.484 1.109 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001004150002 711564733 /nfs/dbraw/zinc/56/47/33/711564733.db2.gz QFAMMSSBAAIJBT-GJZGRUSLSA-N 2 1 331.464 1.378 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001004150002 711564735 /nfs/dbraw/zinc/56/47/35/711564735.db2.gz QFAMMSSBAAIJBT-GJZGRUSLSA-N 2 1 331.464 1.378 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922516637 711635725 /nfs/dbraw/zinc/63/57/25/711635725.db2.gz SQRWWJYSFUMIJN-OAGGEKHMSA-N 2 1 342.553 1.986 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033144436 711979470 /nfs/dbraw/zinc/97/94/70/711979470.db2.gz XGJYUNHIUCPHFL-ROUUACIJSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033144436 711979471 /nfs/dbraw/zinc/97/94/71/711979471.db2.gz XGJYUNHIUCPHFL-ROUUACIJSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033144436 711979472 /nfs/dbraw/zinc/97/94/72/711979472.db2.gz XGJYUNHIUCPHFL-ROUUACIJSA-N 2 1 337.508 1.819 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC([C@@H]3CCC[NH+]3CCCO)CC2)C1 ZINC001004597577 712040098 /nfs/dbraw/zinc/04/00/98/712040098.db2.gz SGROAUSAVIDMKP-AEFFLSMTSA-N 2 1 337.508 1.414 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CCCO)CC2)C1 ZINC001004597577 712040100 /nfs/dbraw/zinc/04/01/00/712040100.db2.gz SGROAUSAVIDMKP-AEFFLSMTSA-N 2 1 337.508 1.414 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N2CCC([C@@H]3CCC[N@H+]3CCCO)CC2)C1 ZINC001004597577 712040103 /nfs/dbraw/zinc/04/01/03/712040103.db2.gz SGROAUSAVIDMKP-AEFFLSMTSA-N 2 1 337.508 1.414 20 0 EDADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946662821 712291262 /nfs/dbraw/zinc/29/12/62/712291262.db2.gz QCUPILUYLZVCNK-OKZBNKHCSA-N 2 1 349.519 1.820 20 0 EDADMP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946677715 712369600 /nfs/dbraw/zinc/36/96/00/712369600.db2.gz KKAFBNWKMSQLQC-YESZJQIVSA-N 2 1 334.464 1.397 20 0 EDADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946677715 712369601 /nfs/dbraw/zinc/36/96/01/712369601.db2.gz KKAFBNWKMSQLQC-YESZJQIVSA-N 2 1 334.464 1.397 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1csc(Br)c1 ZINC000053299132 214176077 /nfs/dbraw/zinc/17/60/77/214176077.db2.gz KILDFORNWCFHRV-UHFFFAOYSA-N 2 1 346.294 1.764 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000174016203 231098820 /nfs/dbraw/zinc/09/88/20/231098820.db2.gz BILFVFJGKJKYGS-SFHVURJKSA-N 2 1 331.460 1.406 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000174016203 231098823 /nfs/dbraw/zinc/09/88/23/231098823.db2.gz BILFVFJGKJKYGS-SFHVURJKSA-N 2 1 331.460 1.406 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cnn(C2CCCC2)c1 ZINC000558623794 306241098 /nfs/dbraw/zinc/24/10/98/306241098.db2.gz PWPLDUSRPRIMKI-HNNXBMFYSA-N 2 1 333.480 1.813 20 0 EDADMP C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000558722702 306245952 /nfs/dbraw/zinc/24/59/52/306245952.db2.gz OIKMTBQXGQSMGE-ARFHVFGLSA-N 2 1 343.537 1.511 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N[C@H]2CC23CC[NH2+]CC3)c2ccccc2)CC1 ZINC000368139549 282961299 /nfs/dbraw/zinc/96/12/99/282961299.db2.gz IEDFGWDRMLWENB-ZWKOTPCHSA-N 2 1 342.487 1.233 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000166164336 529980303 /nfs/dbraw/zinc/98/03/03/529980303.db2.gz LCMIDGDGAGNIIA-OAHLLOKOSA-N 2 1 344.459 1.768 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000560315372 306264182 /nfs/dbraw/zinc/26/41/82/306264182.db2.gz SKPWKGPKCQJNNT-HNNXBMFYSA-N 2 1 340.512 1.166 20 0 EDADMP Cc1cnn(C)c1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000560467303 306269898 /nfs/dbraw/zinc/26/98/98/306269898.db2.gz PYNIJKYZXPWXTG-MRXNPFEDSA-N 2 1 333.505 1.868 20 0 EDADMP C[NH+](C)CCCCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000560688646 306277493 /nfs/dbraw/zinc/27/74/93/306277493.db2.gz JRYXEPQDSXQNJK-UHFFFAOYSA-N 2 1 333.476 1.867 20 0 EDADMP C[C@@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000561151721 306282958 /nfs/dbraw/zinc/28/29/58/306282958.db2.gz QQYRUDMLVGQNJL-HOTGVXAUSA-N 2 1 330.476 1.732 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000412426590 304007026 /nfs/dbraw/zinc/00/70/26/304007026.db2.gz NPNPGRLTRDAALQ-QGZVFWFLSA-N 2 1 325.497 1.770 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[NH+]1CCCOCC1 ZINC000249170235 539697714 /nfs/dbraw/zinc/69/77/14/539697714.db2.gz ATVMIJNCRRWEIO-BBWFWOEESA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000249170235 539697719 /nfs/dbraw/zinc/69/77/19/539697719.db2.gz ATVMIJNCRRWEIO-BBWFWOEESA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000249170235 539697723 /nfs/dbraw/zinc/69/77/23/539697723.db2.gz ATVMIJNCRRWEIO-BBWFWOEESA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[C@H](Cn1cccn1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000340476010 539727295 /nfs/dbraw/zinc/72/72/95/539727295.db2.gz FLXFVMJCKQHLQZ-KRWDZBQOSA-N 2 1 335.496 1.440 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000152439637 539812617 /nfs/dbraw/zinc/81/26/17/539812617.db2.gz DGJWDPGQYUQMMP-YESZJQIVSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000152439637 539812620 /nfs/dbraw/zinc/81/26/20/539812620.db2.gz DGJWDPGQYUQMMP-YESZJQIVSA-N 2 1 338.496 1.365 20 0 EDADMP COCCN(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000562441642 306298586 /nfs/dbraw/zinc/29/85/86/306298586.db2.gz CNCICXTXLKKBJH-MOPGFXCFSA-N 2 1 335.492 1.526 20 0 EDADMP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000356640616 539967922 /nfs/dbraw/zinc/96/79/22/539967922.db2.gz HYIFDXYPRLPRJC-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000356640616 539967924 /nfs/dbraw/zinc/96/79/24/539967924.db2.gz HYIFDXYPRLPRJC-IRXDYDNUSA-N 2 1 325.497 1.820 20 0 EDADMP COCCCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC[NH+](C)CC1 ZINC000563265638 306325318 /nfs/dbraw/zinc/32/53/18/306325318.db2.gz ZSCKCIBWJPVPMT-INIZCTEOSA-N 2 1 348.491 1.713 20 0 EDADMP C[C@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)CN1CC[NH+](C)CC1 ZINC000563499050 306335882 /nfs/dbraw/zinc/33/58/82/306335882.db2.gz JYEMTRMAVYZNSB-OAHLLOKOSA-N 2 1 345.491 1.337 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000073897036 138221871 /nfs/dbraw/zinc/22/18/71/138221871.db2.gz PSHOBTPNEUSOPU-UHFFFAOYSA-N 2 1 339.528 1.188 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000083215325 138269074 /nfs/dbraw/zinc/26/90/74/138269074.db2.gz LILZZZBBISFDDU-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000114789483 138310528 /nfs/dbraw/zinc/31/05/28/138310528.db2.gz IVLJSVMSXBTZNG-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114789483 138310529 /nfs/dbraw/zinc/31/05/29/138310529.db2.gz IVLJSVMSXBTZNG-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114789483 138310530 /nfs/dbraw/zinc/31/05/30/138310530.db2.gz IVLJSVMSXBTZNG-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000125498327 138334536 /nfs/dbraw/zinc/33/45/36/138334536.db2.gz BLCBSJNMOLMYKB-QGZVFWFLSA-N 2 1 334.464 1.685 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000125498327 138334537 /nfs/dbraw/zinc/33/45/37/138334537.db2.gz BLCBSJNMOLMYKB-QGZVFWFLSA-N 2 1 334.464 1.685 20 0 EDADMP O=C([C@H]1CCn2cncc2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000130577210 138342401 /nfs/dbraw/zinc/34/24/01/138342401.db2.gz ZJVJISQDSWJWFK-SFHVURJKSA-N 2 1 338.455 1.832 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000344177758 283260048 /nfs/dbraw/zinc/26/00/48/283260048.db2.gz SBWJTUXZBRIVCS-KDURUIRLSA-N 2 1 338.540 1.199 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564321458 306358204 /nfs/dbraw/zinc/35/82/04/306358204.db2.gz KZFGMBKIUOUPND-GJZGRUSLSA-N 2 1 336.432 1.477 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CC)C2)C[C@@H]1CC ZINC000413829860 304078914 /nfs/dbraw/zinc/07/89/14/304078914.db2.gz FMJQCSJGDVVIAY-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC)C2)C[C@@H]1CC ZINC000413829860 304078917 /nfs/dbraw/zinc/07/89/17/304078917.db2.gz FMJQCSJGDVVIAY-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC)C2)C[C@@H]1CC ZINC000413829860 304078919 /nfs/dbraw/zinc/07/89/19/304078919.db2.gz FMJQCSJGDVVIAY-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000565298610 306380987 /nfs/dbraw/zinc/38/09/87/306380987.db2.gz KJLJEACYRVVPDW-GOEBONIOSA-N 2 1 346.475 1.493 20 0 EDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000414183851 304104673 /nfs/dbraw/zinc/10/46/73/304104673.db2.gz NYROXSPREKDZSR-KGLIPLIRSA-N 2 1 325.478 1.717 20 0 EDADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000072859928 216319678 /nfs/dbraw/zinc/31/96/78/216319678.db2.gz HKZBDLDNEHPWOQ-WMZOPIPTSA-N 2 1 349.475 1.658 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000072859928 216319682 /nfs/dbraw/zinc/31/96/82/216319682.db2.gz HKZBDLDNEHPWOQ-WMZOPIPTSA-N 2 1 349.475 1.658 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000072859928 216319684 /nfs/dbraw/zinc/31/96/84/216319684.db2.gz HKZBDLDNEHPWOQ-WMZOPIPTSA-N 2 1 349.475 1.658 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000072859928 216319688 /nfs/dbraw/zinc/31/96/88/216319688.db2.gz HKZBDLDNEHPWOQ-WMZOPIPTSA-N 2 1 349.475 1.658 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000414695461 304128210 /nfs/dbraw/zinc/12/82/10/304128210.db2.gz GMHXUNDCEPKOLX-APHBMKBZSA-N 2 1 330.432 1.388 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000414699115 304129495 /nfs/dbraw/zinc/12/94/95/304129495.db2.gz RRGDXXLPJPCXFM-ZBFHGGJFSA-N 2 1 345.443 1.750 20 0 EDADMP C[N@@H+](CCCOc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414703103 304129868 /nfs/dbraw/zinc/12/98/68/304129868.db2.gz LRWKSRSQWLFQQO-HNNXBMFYSA-N 2 1 337.439 1.724 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000414701683 304130024 /nfs/dbraw/zinc/13/00/24/304130024.db2.gz KNZWXVITVDMKRL-RBSFLKMASA-N 2 1 346.475 1.881 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000414731727 304134130 /nfs/dbraw/zinc/13/41/30/304134130.db2.gz AQGZQKDMYWLQKC-ILXRZTDVSA-N 2 1 346.475 1.881 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414996698 304149346 /nfs/dbraw/zinc/14/93/46/304149346.db2.gz XPYPYIMAGFZDTB-LSDHHAIUSA-N 2 1 346.475 1.739 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000415065700 304156179 /nfs/dbraw/zinc/15/61/79/304156179.db2.gz SACZHXWVDSMISY-JKSUJKDBSA-N 2 1 345.447 1.010 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000415065700 304156181 /nfs/dbraw/zinc/15/61/81/304156181.db2.gz SACZHXWVDSMISY-JKSUJKDBSA-N 2 1 345.447 1.010 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000195154419 139008096 /nfs/dbraw/zinc/00/80/96/139008096.db2.gz INJKOMHQFSISQF-LJQANCHMSA-N 2 1 344.503 1.440 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)c1ccccc1 ZINC000195519141 139019178 /nfs/dbraw/zinc/01/91/78/139019178.db2.gz OYZMXAQUSPEIDU-UHFFFAOYSA-N 2 1 346.475 1.039 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236767241 139030749 /nfs/dbraw/zinc/03/07/49/139030749.db2.gz MKRRNIGOWQAZTN-ZWKOTPCHSA-N 2 1 333.476 1.719 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236767241 139030750 /nfs/dbraw/zinc/03/07/50/139030750.db2.gz MKRRNIGOWQAZTN-ZWKOTPCHSA-N 2 1 333.476 1.719 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000237065215 139039600 /nfs/dbraw/zinc/03/96/00/139039600.db2.gz WSVDVLQCUSOPMT-QXAKKESOSA-N 2 1 346.519 1.855 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000237065215 139039601 /nfs/dbraw/zinc/03/96/01/139039601.db2.gz WSVDVLQCUSOPMT-QXAKKESOSA-N 2 1 346.519 1.855 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000237065215 139039602 /nfs/dbraw/zinc/03/96/02/139039602.db2.gz WSVDVLQCUSOPMT-QXAKKESOSA-N 2 1 346.519 1.855 20 0 EDADMP COCC[NH2+]CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000237196899 139043706 /nfs/dbraw/zinc/04/37/06/139043706.db2.gz DLZJZDGHWMQDHZ-CQSZACIVSA-N 2 1 325.478 1.312 20 0 EDADMP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000110654551 220053506 /nfs/dbraw/zinc/05/35/06/220053506.db2.gz VEPDMPKOEKTUEG-IEBWSBKVSA-N 2 1 344.503 1.433 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000110654551 220053509 /nfs/dbraw/zinc/05/35/09/220053509.db2.gz VEPDMPKOEKTUEG-IEBWSBKVSA-N 2 1 344.503 1.433 20 0 EDADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496483263 284347086 /nfs/dbraw/zinc/34/70/86/284347086.db2.gz XYFBWCJADKNUHS-YOEHRIQHSA-N 2 1 329.485 1.536 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496483263 284347089 /nfs/dbraw/zinc/34/70/89/284347089.db2.gz XYFBWCJADKNUHS-YOEHRIQHSA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496483263 284347092 /nfs/dbraw/zinc/34/70/92/284347092.db2.gz XYFBWCJADKNUHS-YOEHRIQHSA-N 2 1 329.485 1.536 20 0 EDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496483263 284347097 /nfs/dbraw/zinc/34/70/97/284347097.db2.gz XYFBWCJADKNUHS-YOEHRIQHSA-N 2 1 329.485 1.536 20 0 EDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237398498 139050076 /nfs/dbraw/zinc/05/00/76/139050076.db2.gz AJEHRLINEJCRGP-CYBMUJFWSA-N 2 1 325.478 1.682 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000415189567 304172885 /nfs/dbraw/zinc/17/28/85/304172885.db2.gz HHFUHKFLUADAHH-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000237524638 139053268 /nfs/dbraw/zinc/05/32/68/139053268.db2.gz CIGCMIOLPVFGEH-YJBOKZPZSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000237524638 139053269 /nfs/dbraw/zinc/05/32/69/139053269.db2.gz CIGCMIOLPVFGEH-YJBOKZPZSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@@]1(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCC[NH2+]C1 ZINC000237594102 139055162 /nfs/dbraw/zinc/05/51/62/139055162.db2.gz AMUIZUVNKHZIHK-LJQANCHMSA-N 2 1 331.460 1.525 20 0 EDADMP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000238027375 139067004 /nfs/dbraw/zinc/06/70/04/139067004.db2.gz RUKFVTLPINSGFX-LJQANCHMSA-N 2 1 344.503 1.310 20 0 EDADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415249128 304178736 /nfs/dbraw/zinc/17/87/36/304178736.db2.gz DZLHFXZJWXXSQO-KRWDZBQOSA-N 2 1 344.459 1.214 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415249128 304178739 /nfs/dbraw/zinc/17/87/39/304178739.db2.gz DZLHFXZJWXXSQO-KRWDZBQOSA-N 2 1 344.459 1.214 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000245446897 139075199 /nfs/dbraw/zinc/07/51/99/139075199.db2.gz LPECWKACPDWABQ-QZTJIDSGSA-N 2 1 336.476 1.846 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000245446897 139075200 /nfs/dbraw/zinc/07/52/00/139075200.db2.gz LPECWKACPDWABQ-QZTJIDSGSA-N 2 1 336.476 1.846 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000245446897 139075201 /nfs/dbraw/zinc/07/52/01/139075201.db2.gz LPECWKACPDWABQ-QZTJIDSGSA-N 2 1 336.476 1.846 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245519716 139077766 /nfs/dbraw/zinc/07/77/66/139077766.db2.gz IVPXGCAUXGXNRP-OKZBNKHCSA-N 2 1 338.540 1.782 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245519716 139077767 /nfs/dbraw/zinc/07/77/67/139077767.db2.gz IVPXGCAUXGXNRP-OKZBNKHCSA-N 2 1 338.540 1.782 20 0 EDADMP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000245931733 139090483 /nfs/dbraw/zinc/09/04/83/139090483.db2.gz ZEPLJMKNGSTIKJ-RDJZCZTQSA-N 2 1 344.459 1.615 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000247023038 139131717 /nfs/dbraw/zinc/13/17/17/139131717.db2.gz XZJGIPWLHHWFNQ-GOEBONIOSA-N 2 1 348.491 1.656 20 0 EDADMP CC1(C)NC(=O)N(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000247023038 139131718 /nfs/dbraw/zinc/13/17/18/139131718.db2.gz XZJGIPWLHHWFNQ-GOEBONIOSA-N 2 1 348.491 1.656 20 0 EDADMP CC1(C)NC(=O)N(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000247023038 139131719 /nfs/dbraw/zinc/13/17/19/139131719.db2.gz XZJGIPWLHHWFNQ-GOEBONIOSA-N 2 1 348.491 1.656 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000247049295 139133173 /nfs/dbraw/zinc/13/31/73/139133173.db2.gz ZFRCODZXYFMDAI-QAPCUYQASA-N 2 1 346.475 1.444 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000247049295 139133174 /nfs/dbraw/zinc/13/31/74/139133174.db2.gz ZFRCODZXYFMDAI-QAPCUYQASA-N 2 1 346.475 1.444 20 0 EDADMP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000247055828 139133632 /nfs/dbraw/zinc/13/36/32/139133632.db2.gz NMGWBQNRDKDJHD-FXAWDEMLSA-N 3 1 346.519 1.728 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCCC[C@H]1C ZINC000247649776 139153361 /nfs/dbraw/zinc/15/33/61/139153361.db2.gz WHFDKLOCZIDKGN-IAGOWNOFSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000247649776 139153362 /nfs/dbraw/zinc/15/33/62/139153362.db2.gz WHFDKLOCZIDKGN-IAGOWNOFSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000247649776 139153363 /nfs/dbraw/zinc/15/33/63/139153363.db2.gz WHFDKLOCZIDKGN-IAGOWNOFSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000248818771 139176158 /nfs/dbraw/zinc/17/61/58/139176158.db2.gz UYXPGDMTJPGHEB-NEPXVJNWSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000250110353 139200423 /nfs/dbraw/zinc/20/04/23/139200423.db2.gz KTXCEDVUZJEPTF-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000250110353 139200424 /nfs/dbraw/zinc/20/04/24/139200424.db2.gz KTXCEDVUZJEPTF-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000250110353 139200425 /nfs/dbraw/zinc/20/04/25/139200425.db2.gz KTXCEDVUZJEPTF-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000261613962 139211060 /nfs/dbraw/zinc/21/10/60/139211060.db2.gz BOCWOFGZJSXNKB-OLMNPRSZSA-N 2 1 331.460 1.520 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@](C)(C[NH3+])C3)cc2F)CC1 ZINC000261711638 139219648 /nfs/dbraw/zinc/21/96/48/139219648.db2.gz BZHGNSHYVZEKPQ-IBGZPJMESA-N 2 1 348.466 1.779 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000261733553 139221535 /nfs/dbraw/zinc/22/15/35/139221535.db2.gz NAMWWMUNXBFCIH-GFCCVEGCSA-N 2 1 334.445 1.690 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000261733553 139221536 /nfs/dbraw/zinc/22/15/36/139221536.db2.gz NAMWWMUNXBFCIH-GFCCVEGCSA-N 2 1 334.445 1.690 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC(F)F ZINC000261746458 139222685 /nfs/dbraw/zinc/22/26/85/139222685.db2.gz UFKJAOVSRPQRSA-CQSZACIVSA-N 2 1 341.402 1.776 20 0 EDADMP CCC[N@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)C1CC[NH2+]CC1 ZINC000261750221 139222918 /nfs/dbraw/zinc/22/29/18/139222918.db2.gz OSMAPPVALJORLG-UHFFFAOYSA-N 2 1 339.505 1.901 20 0 EDADMP CCC[N@@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)C1CC[NH2+]CC1 ZINC000261750221 139222919 /nfs/dbraw/zinc/22/29/19/139222919.db2.gz OSMAPPVALJORLG-UHFFFAOYSA-N 2 1 339.505 1.901 20 0 EDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000261819630 139228790 /nfs/dbraw/zinc/22/87/90/139228790.db2.gz XVGNVCAQKFNTBR-IBGZPJMESA-N 2 1 344.459 1.813 20 0 EDADMP c1ncn(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)c2)n1 ZINC000261954514 139239809 /nfs/dbraw/zinc/23/98/09/139239809.db2.gz OUSUZABJVFGQBX-KSZLIROESA-N 2 1 327.432 1.514 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OC(C)C ZINC000262107248 139251369 /nfs/dbraw/zinc/25/13/69/139251369.db2.gz JVJRCPYSUPFKHM-QGZVFWFLSA-N 2 1 333.476 1.962 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262135526 139254022 /nfs/dbraw/zinc/25/40/22/139254022.db2.gz ORSRBTNTFJXYNS-GFCCVEGCSA-N 2 1 343.830 1.645 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415948871 251038869 /nfs/dbraw/zinc/03/88/69/251038869.db2.gz DVRKTQDOLHPPIL-UHFFFAOYSA-N 2 1 348.369 1.600 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415969354 251041123 /nfs/dbraw/zinc/04/11/23/251041123.db2.gz GLQVWVIRBWOERD-UHFFFAOYSA-N 2 1 336.436 1.258 20 0 EDADMP C[N@@H+](CCCNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000416874303 251114144 /nfs/dbraw/zinc/11/41/44/251114144.db2.gz PHBYYKGANKLHCT-BZSNNMDCSA-N 2 1 330.476 1.887 20 0 EDADMP CN(C(=O)NCC[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]CC1 ZINC000417009599 251128132 /nfs/dbraw/zinc/12/81/32/251128132.db2.gz NRZUQIBUTVEFNK-SFHVURJKSA-N 2 1 330.476 1.828 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417088489 251141544 /nfs/dbraw/zinc/14/15/44/251141544.db2.gz HHBZKBJZUSUNNO-IAGOWNOFSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@]1(C[NH3+])CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000417174428 251144654 /nfs/dbraw/zinc/14/46/54/251144654.db2.gz JQVIVFRXUACOFQ-IBGZPJMESA-N 2 1 346.475 1.399 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417222553 251148484 /nfs/dbraw/zinc/14/84/84/251148484.db2.gz QGBVBKNAHSVBDJ-YVSFHVDLSA-N 2 1 336.524 1.994 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH2+]C)C2)[C@H](C)C1 ZINC000417672330 251222922 /nfs/dbraw/zinc/22/29/22/251222922.db2.gz SNVTZDJLMTWSOO-PMPSAXMXSA-N 2 1 326.485 1.127 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000417829518 251288953 /nfs/dbraw/zinc/28/89/53/251288953.db2.gz RERFIAVGJCLEQC-MRXNPFEDSA-N 2 1 338.427 1.017 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC000417880110 251310612 /nfs/dbraw/zinc/31/06/12/251310612.db2.gz SLOKPBBSLZPRFX-DDBAPUKQSA-N 2 1 328.460 1.653 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418422490 251367331 /nfs/dbraw/zinc/36/73/31/251367331.db2.gz ISUQMHGHLKYMSQ-CVEARBPZSA-N 2 1 340.512 1.504 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418715010 251393266 /nfs/dbraw/zinc/39/32/66/251393266.db2.gz QQSUUYIYFDHLNM-ZDUSSCGKSA-N 2 1 332.395 1.725 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418526735 251375947 /nfs/dbraw/zinc/37/59/47/251375947.db2.gz PYRSBUQXPYDFCI-ROUUACIJSA-N 2 1 330.476 1.759 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262623569 139290941 /nfs/dbraw/zinc/29/09/41/139290941.db2.gz APKKEZMHHJGXEW-IKGGRYGDSA-N 2 1 330.476 1.441 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)cc1 ZINC000262826858 139306347 /nfs/dbraw/zinc/30/63/47/139306347.db2.gz HJVMPQBFECSRGT-IBGZPJMESA-N 2 1 340.427 1.999 20 0 EDADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422874754 252007543 /nfs/dbraw/zinc/00/75/43/252007543.db2.gz AZZZYZWDGDYYHH-WDSOQIARSA-N 2 1 346.519 1.477 20 0 EDADMP COC1CC[NH+](C(C)(C)CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422885030 252011544 /nfs/dbraw/zinc/01/15/44/252011544.db2.gz GHCMTUWUXPICBW-IRXDYDNUSA-N 2 1 325.497 1.232 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C2(C)C[NH2+]C2)C[C@H](C)O1 ZINC000423345428 252047300 /nfs/dbraw/zinc/04/73/00/252047300.db2.gz OBDGDHUFFTXMOD-GJZGRUSLSA-N 2 1 331.460 1.522 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000423354020 252050489 /nfs/dbraw/zinc/05/04/89/252050489.db2.gz CMGFPBNNUOQXTJ-OKILXGFUSA-N 2 1 336.484 1.113 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423737358 252067027 /nfs/dbraw/zinc/06/70/27/252067027.db2.gz TWTUEKNZLKFTNP-KRWDZBQOSA-N 2 1 331.460 1.872 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000423859239 252094183 /nfs/dbraw/zinc/09/41/83/252094183.db2.gz GWBUVBJNTSTWEP-HOCLYGCPSA-N 2 1 333.432 1.172 20 0 EDADMP CC[C@@H]1CN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000423865477 252096370 /nfs/dbraw/zinc/09/63/70/252096370.db2.gz DFNNEYRMTHAMSY-IIDMSEBBSA-N 2 1 331.460 1.889 20 0 EDADMP CC[C@H]1CN(C(=O)c2ccccc2CC[NH2+]C)C[C@H]1[NH+]1CCOCC1 ZINC000423865831 252097057 /nfs/dbraw/zinc/09/70/57/252097057.db2.gz DRWOICGLKYRWPW-QFBILLFUSA-N 2 1 345.487 1.631 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424144551 252141771 /nfs/dbraw/zinc/14/17/71/252141771.db2.gz LRVAONNQABLAFJ-CVEARBPZSA-N 2 1 347.507 1.595 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424130323 252134398 /nfs/dbraw/zinc/13/43/98/252134398.db2.gz DZPTVBDJDQQAHM-GJZGRUSLSA-N 2 1 334.468 1.197 20 0 EDADMP Cc1ccc2nc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc(=O)n2c1 ZINC000424298147 252191175 /nfs/dbraw/zinc/19/11/75/252191175.db2.gz TZJIZYHXTOHYKU-HNNXBMFYSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000424467190 252240289 /nfs/dbraw/zinc/24/02/89/252240289.db2.gz MPWNMJHDKIYKEB-CJNGLKHVSA-N 2 1 332.448 1.191 20 0 EDADMP O=C(N[C@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424482184 252249467 /nfs/dbraw/zinc/24/94/67/252249467.db2.gz SZJIDBRHOPJSPR-OKZBNKHCSA-N 2 1 328.460 1.654 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000182476844 285009895 /nfs/dbraw/zinc/00/98/95/285009895.db2.gz UVCXAZYZZAIOPR-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000263227736 139329653 /nfs/dbraw/zinc/32/96/53/139329653.db2.gz GXCNGRLESGSXNU-SFHVURJKSA-N 2 1 348.491 1.243 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000263243605 139330506 /nfs/dbraw/zinc/33/05/06/139330506.db2.gz GZCRAZNQVGFLCI-GOSISDBHSA-N 2 1 332.448 1.530 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000263249471 139330870 /nfs/dbraw/zinc/33/08/70/139330870.db2.gz OEWCEOATRLKEMN-SFHVURJKSA-N 2 1 348.491 1.243 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)c2C1 ZINC000415682773 304255604 /nfs/dbraw/zinc/25/56/04/304255604.db2.gz RZUASXUUWPPGFA-CZUORRHYSA-N 2 1 344.459 1.607 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)c2C1 ZINC000415682773 304255607 /nfs/dbraw/zinc/25/56/07/304255607.db2.gz RZUASXUUWPPGFA-CZUORRHYSA-N 2 1 344.459 1.607 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC2(O)CCCCCC2)CC1 ZINC000426213485 285188197 /nfs/dbraw/zinc/18/81/97/285188197.db2.gz CYIWXABTXRGUSU-UHFFFAOYSA-N 2 1 325.497 1.604 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000458382310 285204446 /nfs/dbraw/zinc/20/44/46/285204446.db2.gz RAYSWDJFVIMDMQ-JKSUJKDBSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458382310 285204447 /nfs/dbraw/zinc/20/44/47/285204447.db2.gz RAYSWDJFVIMDMQ-JKSUJKDBSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000458382310 285204448 /nfs/dbraw/zinc/20/44/48/285204448.db2.gz RAYSWDJFVIMDMQ-JKSUJKDBSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@H]2C)CC1 ZINC000488728095 255051170 /nfs/dbraw/zinc/05/11/70/255051170.db2.gz XQWFMEVRGAIBFW-ZHALLVOQSA-N 2 1 345.487 1.595 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@H]2C)CC1 ZINC000488728095 255051171 /nfs/dbraw/zinc/05/11/71/255051171.db2.gz XQWFMEVRGAIBFW-ZHALLVOQSA-N 2 1 345.487 1.595 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1OC ZINC000459043884 285245102 /nfs/dbraw/zinc/24/51/02/285245102.db2.gz JJQGLXXJKLRZFD-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](CNc1nc2ccccc2nc1N1CC[NH+](C)CC1)C[NH+](C)C ZINC000488984793 255061447 /nfs/dbraw/zinc/06/14/47/255061447.db2.gz OOPPWGHQZCDXSO-HNNXBMFYSA-N 2 1 342.491 1.991 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](O)Cc1ccccc1 ZINC000355437152 285245930 /nfs/dbraw/zinc/24/59/30/285245930.db2.gz BNECNEYAROUKLM-MOPGFXCFSA-N 2 1 347.503 1.465 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCC[C@H]1C ZINC000248698857 285251017 /nfs/dbraw/zinc/25/10/17/285251017.db2.gz KKXMIZJBYNTGLL-HZPDHXFCSA-N 2 1 346.541 1.063 20 0 EDADMP C[NH+](C)C/C=C\C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000492252022 255165323 /nfs/dbraw/zinc/16/53/23/255165323.db2.gz LKAMITHZBVYPGS-RPPGEJNMSA-N 2 1 331.460 1.103 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccnc(N(C)C)n1 ZINC000349039988 285282466 /nfs/dbraw/zinc/28/24/66/285282466.db2.gz ZWKMMDKWLAZNTC-KRWDZBQOSA-N 2 1 334.512 1.391 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)C1CC1 ZINC000118120455 221123222 /nfs/dbraw/zinc/12/32/22/221123222.db2.gz YNGPZMNNWMEXAZ-UHFFFAOYSA-N 2 1 346.475 1.330 20 0 EDADMP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000118879799 221200264 /nfs/dbraw/zinc/20/02/64/221200264.db2.gz VHDGEDPWDWCHQX-INIZCTEOSA-N 2 1 335.492 1.622 20 0 EDADMP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000166381510 533605186 /nfs/dbraw/zinc/60/51/86/533605186.db2.gz IAGROUHFJLQPFY-IAGOWNOFSA-N 2 1 335.517 1.748 20 0 EDADMP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1ccccc1 ZINC000416244437 304300240 /nfs/dbraw/zinc/30/02/40/304300240.db2.gz VVKNUVPMBCEMEJ-ZWKOTPCHSA-N 2 1 333.476 1.642 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000331615192 141057480 /nfs/dbraw/zinc/05/74/80/141057480.db2.gz SJBUCSYUAYGGJX-CYGHRXIMSA-N 2 1 330.476 1.886 20 0 EDADMP C[C@@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000332211973 141141224 /nfs/dbraw/zinc/14/12/24/141141224.db2.gz VDSCOHMGIIZXGH-CVEARBPZSA-N 2 1 337.489 1.381 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000332327505 141163118 /nfs/dbraw/zinc/16/31/18/141163118.db2.gz QBYMZZWQSFAQNQ-HUUCEWRRSA-N 2 1 334.464 1.539 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)n1C ZINC000333124713 141267820 /nfs/dbraw/zinc/26/78/20/141267820.db2.gz AXZRTKRGNHIKPZ-HNNXBMFYSA-N 2 1 334.468 1.160 20 0 EDADMP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000333295867 141294304 /nfs/dbraw/zinc/29/43/04/141294304.db2.gz LTYCWCOQJXWJMJ-ROUUACIJSA-N 2 1 337.508 1.602 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000333312109 141297311 /nfs/dbraw/zinc/29/73/11/141297311.db2.gz LUHOJKIHADYMKL-OIISXLGYSA-N 2 1 343.475 1.988 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NC[C@H]3CCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000333676920 141355174 /nfs/dbraw/zinc/35/51/74/141355174.db2.gz ZASIMLRPVQJPET-OAHLLOKOSA-N 2 1 332.452 1.113 20 0 EDADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H](C)CO ZINC000339623603 142098742 /nfs/dbraw/zinc/09/87/42/142098742.db2.gz GHQPCCUBSFDKPU-KRWDZBQOSA-N 2 1 347.503 1.778 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000344946731 143029594 /nfs/dbraw/zinc/02/95/94/143029594.db2.gz FUNNEBXMIOWENE-NEWSRXKRSA-N 2 1 344.503 1.117 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000344946731 143029595 /nfs/dbraw/zinc/02/95/95/143029595.db2.gz FUNNEBXMIOWENE-NEWSRXKRSA-N 2 1 344.503 1.117 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000344946731 143029596 /nfs/dbraw/zinc/02/95/96/143029596.db2.gz FUNNEBXMIOWENE-NEWSRXKRSA-N 2 1 344.503 1.117 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CCC[N@H+]1C ZINC000345245949 143069154 /nfs/dbraw/zinc/06/91/54/143069154.db2.gz GAVFWQWLXATBHE-DOMZBBRYSA-N 2 1 347.463 1.451 20 0 EDADMP [NH3+][C@H](CC(F)F)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000345715979 143124834 /nfs/dbraw/zinc/12/48/34/143124834.db2.gz MPLKQNSEDKTILC-CQSZACIVSA-N 2 1 327.375 1.482 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]([NH3+])CC(F)F ZINC000345830575 143137752 /nfs/dbraw/zinc/13/77/52/143137752.db2.gz XWBGZGJYTKXZFE-ZFWWWQNUSA-N 2 1 340.418 1.296 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@@H]1C ZINC000345916412 143146696 /nfs/dbraw/zinc/14/66/96/143146696.db2.gz IYYYPQOBDRTOCN-DLBZAZTESA-N 2 1 337.508 1.963 20 0 EDADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)ccn1 ZINC000345924823 143147799 /nfs/dbraw/zinc/14/77/99/143147799.db2.gz RWWWTQHTNLCLFE-RHSMWYFYSA-N 2 1 342.447 1.750 20 0 EDADMP Cc1cc(NC(=O)NC[C@H]2CCCN(C)[C@H]2c2ccnn2C)ccn1 ZINC000345924823 143147800 /nfs/dbraw/zinc/14/78/00/143147800.db2.gz RWWWTQHTNLCLFE-RHSMWYFYSA-N 2 1 342.447 1.750 20 0 EDADMP COC(C)(C)CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000346438382 143204711 /nfs/dbraw/zinc/20/47/11/143204711.db2.gz SVVFHWDXIGQJPU-UHFFFAOYSA-N 2 1 325.497 1.678 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)C2(C[NH+](C)C)CCCCC2)[N@@H+](C)C1 ZINC000346700962 143234362 /nfs/dbraw/zinc/23/43/62/143234362.db2.gz JBFNEWMVTSBBTC-JKSUJKDBSA-N 2 1 325.497 1.676 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000346960485 143266295 /nfs/dbraw/zinc/26/62/95/143266295.db2.gz HUIZSHWURBNNRQ-GJZGRUSLSA-N 2 1 325.497 1.865 20 0 EDADMP COC(=O)[C@@H]1CC[NH+](C[C@@H](C)C[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000347005156 143270208 /nfs/dbraw/zinc/27/02/08/143270208.db2.gz BFISKCKFIVGJHU-QCODTGAPSA-N 2 1 340.464 1.389 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](C)C[NH+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000347005156 143270209 /nfs/dbraw/zinc/27/02/09/143270209.db2.gz BFISKCKFIVGJHU-QCODTGAPSA-N 2 1 340.464 1.389 20 0 EDADMP COC(=O)[C@@H]1CC[N@H+](C[C@@H](C)C[NH+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000347005156 143270210 /nfs/dbraw/zinc/27/02/10/143270210.db2.gz BFISKCKFIVGJHU-QCODTGAPSA-N 2 1 340.464 1.389 20 0 EDADMP CC(C)c1nc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000347086935 143281230 /nfs/dbraw/zinc/28/12/30/143281230.db2.gz DFXWTJWIVSWVAN-AWEZNQCLSA-N 2 1 336.505 1.910 20 0 EDADMP CC(C)c1nc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000347086935 143281231 /nfs/dbraw/zinc/28/12/31/143281231.db2.gz DFXWTJWIVSWVAN-AWEZNQCLSA-N 2 1 336.505 1.910 20 0 EDADMP COc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1OC ZINC000347110262 143283761 /nfs/dbraw/zinc/28/37/61/143283761.db2.gz PFARQHVVWNDNJE-MRXNPFEDSA-N 2 1 347.459 1.348 20 0 EDADMP C[C@H](Cn1cccn1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000347244952 143299644 /nfs/dbraw/zinc/29/96/44/143299644.db2.gz VVXBWXFQIAWVRU-MRXNPFEDSA-N 2 1 341.459 1.449 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(C)C)CC2)[C@@H](C)C1 ZINC000347418209 143318721 /nfs/dbraw/zinc/31/87/21/143318721.db2.gz JYJKGZLYHHWKPV-GOEBONIOSA-N 2 1 331.526 1.509 20 0 EDADMP CC(C)[NH+](CCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(C)C ZINC000347716156 143353365 /nfs/dbraw/zinc/35/33/65/143353365.db2.gz GRQRCDMGNZGQQT-MRXNPFEDSA-N 2 1 327.517 1.040 20 0 EDADMP C[C@H](O)C[N@H+](C)C1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347803089 143365094 /nfs/dbraw/zinc/36/50/94/143365094.db2.gz DXHDRTJDZAMOGC-ZDUSSCGKSA-N 2 1 326.510 1.482 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347803089 143365095 /nfs/dbraw/zinc/36/50/95/143365095.db2.gz DXHDRTJDZAMOGC-ZDUSSCGKSA-N 2 1 326.510 1.482 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000572956992 306605202 /nfs/dbraw/zinc/60/52/02/306605202.db2.gz VVPUUDPQOBUCED-CQSZACIVSA-N 2 1 344.459 1.082 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000352824560 149182496 /nfs/dbraw/zinc/18/24/96/149182496.db2.gz GUACGBOYYZRGGF-LMQGHGSNSA-N 2 1 343.515 1.942 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000352824560 149182498 /nfs/dbraw/zinc/18/24/98/149182498.db2.gz GUACGBOYYZRGGF-LMQGHGSNSA-N 2 1 343.515 1.942 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000352824560 149182500 /nfs/dbraw/zinc/18/25/00/149182500.db2.gz GUACGBOYYZRGGF-LMQGHGSNSA-N 2 1 343.515 1.942 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(OC)cn1 ZINC000352829364 149184119 /nfs/dbraw/zinc/18/41/19/149184119.db2.gz QNHYFUCOWHGCHT-QGZVFWFLSA-N 2 1 348.491 1.507 20 0 EDADMP CSC[C@@H](O)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352887236 149204454 /nfs/dbraw/zinc/20/44/54/149204454.db2.gz RWGIPLCIAOZUEU-MOPGFXCFSA-N 2 1 349.544 1.602 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)N1CC[NH+](C)CC1 ZINC000416959978 304355250 /nfs/dbraw/zinc/35/52/50/304355250.db2.gz QIPTUZRSXUNUKO-IAGOWNOFSA-N 2 1 339.528 1.075 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NCC2(C[NH+](C)C)CCCC2)[N@@H+](C)C1 ZINC000347957691 286105858 /nfs/dbraw/zinc/10/58/58/286105858.db2.gz KOXXQMQUPVJPBY-CVEARBPZSA-N 2 1 340.512 1.469 20 0 EDADMP Cc1nn(C)c2ncc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc12 ZINC000355206399 150164771 /nfs/dbraw/zinc/16/47/71/150164771.db2.gz AOPKTSRTZPHFKO-RYQLBKOJSA-N 2 1 343.475 1.960 20 0 EDADMP Cc1nn(C)c2ncc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc12 ZINC000355206399 150164773 /nfs/dbraw/zinc/16/47/73/150164773.db2.gz AOPKTSRTZPHFKO-RYQLBKOJSA-N 2 1 343.475 1.960 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCN3Cc3ccccc3)[C@@H]2C1 ZINC000355352846 150228468 /nfs/dbraw/zinc/22/84/68/150228468.db2.gz WASKTDBUYPBKQH-QRVBRYPASA-N 2 1 343.471 1.583 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCC[N@H+](C)CC2)CC1 ZINC000355578400 150322583 /nfs/dbraw/zinc/32/25/83/150322583.db2.gz SGOMIBQACIJXFQ-GOSISDBHSA-N 2 1 344.503 1.529 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCC[N@@H+](C)CC2)CC1 ZINC000355578400 150322587 /nfs/dbraw/zinc/32/25/87/150322587.db2.gz SGOMIBQACIJXFQ-GOSISDBHSA-N 2 1 344.503 1.529 20 0 EDADMP C[C@H](CNC(=O)NCC(C)(C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000417034210 304363670 /nfs/dbraw/zinc/36/36/70/304363670.db2.gz DWZJUEFAMKFHSY-OAHLLOKOSA-N 2 1 333.480 1.234 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000417048874 304367009 /nfs/dbraw/zinc/36/70/09/304367009.db2.gz RZICKXHISLAQJG-WBVHZDCISA-N 2 1 328.476 1.984 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000417048874 304367011 /nfs/dbraw/zinc/36/70/11/304367011.db2.gz RZICKXHISLAQJG-WBVHZDCISA-N 2 1 328.476 1.984 20 0 EDADMP CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000357537933 151060364 /nfs/dbraw/zinc/06/03/64/151060364.db2.gz CABPWAACHVALNS-INIZCTEOSA-N 2 1 337.489 1.605 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000357638499 151095752 /nfs/dbraw/zinc/09/57/52/151095752.db2.gz SOVCKBSAGDTZTL-YESZJQIVSA-N 2 1 339.524 1.943 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)CCC[C@H]2C)C1 ZINC000357716658 151123716 /nfs/dbraw/zinc/12/37/16/151123716.db2.gz OPUHQVHUCNZNRA-RCCFBDPRSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H](C)CCC[C@H]2C)C1 ZINC000357716658 151123718 /nfs/dbraw/zinc/12/37/18/151123718.db2.gz OPUHQVHUCNZNRA-RCCFBDPRSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H](C)CCC[C@H]2C)C1 ZINC000357716658 151123720 /nfs/dbraw/zinc/12/37/20/151123720.db2.gz OPUHQVHUCNZNRA-RCCFBDPRSA-N 2 1 339.524 1.970 20 0 EDADMP CSC1(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000357972687 151216582 /nfs/dbraw/zinc/21/65/82/151216582.db2.gz JZZGOFPQZVBUIL-UONOGXRCSA-N 2 1 328.526 1.596 20 0 EDADMP C[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358081322 151263655 /nfs/dbraw/zinc/26/36/55/151263655.db2.gz UUOIVBGBXAWEEQ-YESZJQIVSA-N 2 1 336.524 1.392 20 0 EDADMP C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358081322 151263656 /nfs/dbraw/zinc/26/36/56/151263656.db2.gz UUOIVBGBXAWEEQ-YESZJQIVSA-N 2 1 336.524 1.392 20 0 EDADMP C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358081322 151263657 /nfs/dbraw/zinc/26/36/57/151263657.db2.gz UUOIVBGBXAWEEQ-YESZJQIVSA-N 2 1 336.524 1.392 20 0 EDADMP CSC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC[NH+](C)CC1 ZINC000360695738 152156585 /nfs/dbraw/zinc/15/65/85/152156585.db2.gz PUDLKYHZDABBHS-GJZGRUSLSA-N 2 1 342.553 1.795 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)[C@H]2CCOC2)[C@H](C)C1 ZINC000360876339 152238258 /nfs/dbraw/zinc/23/82/58/152238258.db2.gz ZSGUHNPOTXWRHJ-XDNAFOTISA-N 2 1 328.497 1.358 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000360939623 152258870 /nfs/dbraw/zinc/25/88/70/152258870.db2.gz BRZWORGGWVVUOJ-HKUYNNGSSA-N 3 1 331.508 1.524 20 0 EDADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000360939623 152258872 /nfs/dbraw/zinc/25/88/72/152258872.db2.gz BRZWORGGWVVUOJ-HKUYNNGSSA-N 2 1 331.508 1.524 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417182524 304381499 /nfs/dbraw/zinc/38/14/99/304381499.db2.gz PGIXKIGASHDTNR-YOEHRIQHSA-N 2 1 332.448 1.150 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)CCOc3ccccc3)C2)CC1 ZINC000364204506 153172799 /nfs/dbraw/zinc/17/27/99/153172799.db2.gz AFXRMVCAQZWFRT-INIZCTEOSA-N 2 1 331.460 1.740 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)CCOc3ccccc3)C2)CC1 ZINC000364204506 153172804 /nfs/dbraw/zinc/17/28/04/153172804.db2.gz AFXRMVCAQZWFRT-INIZCTEOSA-N 2 1 331.460 1.740 20 0 EDADMP COc1ccccc1CNC(=O)C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364706561 153310332 /nfs/dbraw/zinc/31/03/32/153310332.db2.gz GWIMZSLOYOYFHJ-HNNXBMFYSA-N 2 1 342.443 1.702 20 0 EDADMP COc1ccccc1CNC(=O)C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364706561 153310333 /nfs/dbraw/zinc/31/03/33/153310333.db2.gz GWIMZSLOYOYFHJ-HNNXBMFYSA-N 2 1 342.443 1.702 20 0 EDADMP C[C@@H]1CCCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H]1C[NH3+] ZINC000364869922 153356594 /nfs/dbraw/zinc/35/65/94/153356594.db2.gz MSDVBEAJOBLUFE-QRQLOZEOSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H]1CCCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H]1C[NH3+] ZINC000364869922 153356596 /nfs/dbraw/zinc/35/65/96/153356596.db2.gz MSDVBEAJOBLUFE-QRQLOZEOSA-N 2 1 345.487 1.863 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000364981573 153389489 /nfs/dbraw/zinc/38/94/89/153389489.db2.gz KNNIPDSISRPJAK-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000364981573 153389491 /nfs/dbraw/zinc/38/94/91/153389491.db2.gz KNNIPDSISRPJAK-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000367111108 154011948 /nfs/dbraw/zinc/01/19/48/154011948.db2.gz RWKSFRSHANLXON-SFHVURJKSA-N 2 1 345.487 1.933 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000367128391 154017202 /nfs/dbraw/zinc/01/72/02/154017202.db2.gz AEMFJDUWSBRGSG-YYIAUSFCSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000367128391 154017206 /nfs/dbraw/zinc/01/72/06/154017206.db2.gz AEMFJDUWSBRGSG-YYIAUSFCSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000367128391 154017208 /nfs/dbraw/zinc/01/72/08/154017208.db2.gz AEMFJDUWSBRGSG-YYIAUSFCSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000367128391 154017212 /nfs/dbraw/zinc/01/72/12/154017212.db2.gz AEMFJDUWSBRGSG-YYIAUSFCSA-N 2 1 336.480 1.166 20 0 EDADMP CCNc1nc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)nc(NC(C)(C)C)[nH+]1 ZINC000367333165 154080304 /nfs/dbraw/zinc/08/03/04/154080304.db2.gz PCENUIHKUQAVRX-CHWSQXEVSA-N 2 1 333.484 1.466 20 0 EDADMP CCNc1nc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)nc(NC(C)(C)C)[nH+]1 ZINC000367333165 154080307 /nfs/dbraw/zinc/08/03/07/154080307.db2.gz PCENUIHKUQAVRX-CHWSQXEVSA-N 2 1 333.484 1.466 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)nc(C)[nH+]1 ZINC000368002488 154363479 /nfs/dbraw/zinc/36/34/79/154363479.db2.gz WJNNMLUFOTVWSD-INIZCTEOSA-N 2 1 343.475 1.807 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000368026040 154374500 /nfs/dbraw/zinc/37/45/00/154374500.db2.gz ZRXGDHQFUCMUKL-UHFFFAOYSA-N 2 1 337.414 1.965 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCN1CCCOCC1 ZINC000368042753 154382396 /nfs/dbraw/zinc/38/23/96/154382396.db2.gz OGPKNZXHAYVYPQ-FGTMMUONSA-N 2 1 325.497 1.188 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCN1CCCOCC1 ZINC000368042753 154382398 /nfs/dbraw/zinc/38/23/98/154382398.db2.gz OGPKNZXHAYVYPQ-FGTMMUONSA-N 2 1 325.497 1.188 20 0 EDADMP C[C@H](CNC(=O)NCC(F)(F)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000417345382 304393512 /nfs/dbraw/zinc/39/35/12/304393512.db2.gz UGGQSQQMEFACJA-GFCCVEGCSA-N 2 1 326.391 1.326 20 0 EDADMP C[C@H](CNC(=O)NCC(F)(F)C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000417345382 304393513 /nfs/dbraw/zinc/39/35/13/304393513.db2.gz UGGQSQQMEFACJA-GFCCVEGCSA-N 2 1 326.391 1.326 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCC[NH+]2CCC[C@H]2C1 ZINC000369584129 155098520 /nfs/dbraw/zinc/09/85/20/155098520.db2.gz LZMRKRDBKNZVMM-IBGZPJMESA-N 2 1 342.487 1.924 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000369584129 155098522 /nfs/dbraw/zinc/09/85/22/155098522.db2.gz LZMRKRDBKNZVMM-IBGZPJMESA-N 2 1 342.487 1.924 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000369584129 155098524 /nfs/dbraw/zinc/09/85/24/155098524.db2.gz LZMRKRDBKNZVMM-IBGZPJMESA-N 2 1 342.487 1.924 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000371829451 156127624 /nfs/dbraw/zinc/12/76/24/156127624.db2.gz AXCBMEYYYPNWHL-GOSISDBHSA-N 2 1 347.507 1.925 20 0 EDADMP COC(=O)c1cccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000372368916 156355451 /nfs/dbraw/zinc/35/54/51/156355451.db2.gz LKEGNDLLLXHFTQ-GOSISDBHSA-N 2 1 345.487 1.933 20 0 EDADMP COc1ccc(C[C@H]2CCC[N@H+]2CCC(=O)N2CCN(C)CC2)cc1 ZINC000374774315 157395972 /nfs/dbraw/zinc/39/59/72/157395972.db2.gz FXAIDCSHVWGITO-GOSISDBHSA-N 2 1 345.487 1.866 20 0 EDADMP COc1ccc(C[C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000374774315 157395976 /nfs/dbraw/zinc/39/59/76/157395976.db2.gz FXAIDCSHVWGITO-GOSISDBHSA-N 2 1 345.487 1.866 20 0 EDADMP COc1ccc(C[C@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000374774315 157395978 /nfs/dbraw/zinc/39/59/78/157395978.db2.gz FXAIDCSHVWGITO-GOSISDBHSA-N 2 1 345.487 1.866 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000377832376 158005154 /nfs/dbraw/zinc/00/51/54/158005154.db2.gz RHXSFVZZUFVNSN-ZWKOTPCHSA-N 2 1 330.476 1.313 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000377832376 158005155 /nfs/dbraw/zinc/00/51/55/158005155.db2.gz RHXSFVZZUFVNSN-ZWKOTPCHSA-N 2 1 330.476 1.313 20 0 EDADMP CCn1ccnc1CN1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000377926802 158030604 /nfs/dbraw/zinc/03/06/04/158030604.db2.gz ULEKUSBNALGFNW-IRXDYDNUSA-N 2 1 347.507 1.668 20 0 EDADMP CC1(C)CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000377945910 158036208 /nfs/dbraw/zinc/03/62/08/158036208.db2.gz AYMYRZSCKBKXAL-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP CC1(C)CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000377945910 158036212 /nfs/dbraw/zinc/03/62/12/158036212.db2.gz AYMYRZSCKBKXAL-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP CN1CCO[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)C[C@@H]21 ZINC000378066722 158069668 /nfs/dbraw/zinc/06/96/68/158069668.db2.gz AJUKCEJMYVHILX-WNRNVDISSA-N 2 1 344.459 1.156 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000378116848 158082809 /nfs/dbraw/zinc/08/28/09/158082809.db2.gz CVRSBLGYCHMJAX-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000378116848 158082810 /nfs/dbraw/zinc/08/28/10/158082810.db2.gz CVRSBLGYCHMJAX-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP CCC[NH+]1CCN(C2CC[NH+](Cc3cnc4cnccn34)CC2)CC1 ZINC000378341038 158146008 /nfs/dbraw/zinc/14/60/08/158146008.db2.gz JPNFPAOPLHSGBH-UHFFFAOYSA-N 2 1 342.491 1.721 20 0 EDADMP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351486791 161805039 /nfs/dbraw/zinc/80/50/39/161805039.db2.gz BCGXLYLNMICBPD-BMGDILEWSA-N 2 1 349.450 1.722 20 0 EDADMP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351486791 161805043 /nfs/dbraw/zinc/80/50/43/161805043.db2.gz BCGXLYLNMICBPD-BMGDILEWSA-N 2 1 349.450 1.722 20 0 EDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000352488337 162208552 /nfs/dbraw/zinc/20/85/52/162208552.db2.gz OXUMGHAYXQSQKG-QGZVFWFLSA-N 2 1 345.491 1.324 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000366548405 162389762 /nfs/dbraw/zinc/38/97/62/162389762.db2.gz BMVRCTMQWAESKS-VUCTXSBTSA-N 2 1 338.411 1.836 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000366548405 162389767 /nfs/dbraw/zinc/38/97/67/162389767.db2.gz BMVRCTMQWAESKS-VUCTXSBTSA-N 2 1 338.411 1.836 20 0 EDADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423320527 287034470 /nfs/dbraw/zinc/03/44/70/287034470.db2.gz FLBLOKVJIDUMQA-PBHICJAKSA-N 2 1 339.505 1.977 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000186131489 292536133 /nfs/dbraw/zinc/53/61/33/292536133.db2.gz IBCZJYRWNJNMPQ-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000158467863 225021149 /nfs/dbraw/zinc/02/11/49/225021149.db2.gz MKLZCEPKOVPOAL-GUDVDZBRSA-N 2 1 345.487 1.911 20 0 EDADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000158467863 225021154 /nfs/dbraw/zinc/02/11/54/225021154.db2.gz MKLZCEPKOVPOAL-GUDVDZBRSA-N 2 1 345.487 1.911 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H]1C(C)(C)O ZINC000665760413 452332832 /nfs/dbraw/zinc/33/28/32/452332832.db2.gz IQDALTJHBZGFQL-LSDHHAIUSA-N 2 1 328.501 1.203 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H]1C(C)(C)O ZINC000665760413 452332842 /nfs/dbraw/zinc/33/28/42/452332842.db2.gz IQDALTJHBZGFQL-LSDHHAIUSA-N 2 1 328.501 1.203 20 0 EDADMP C[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC1 ZINC000273004860 273024687 /nfs/dbraw/zinc/02/46/87/273024687.db2.gz PZUOTFXQJNUEBS-GOSISDBHSA-N 2 1 346.475 1.100 20 0 EDADMP C[NH+]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000273004860 273024689 /nfs/dbraw/zinc/02/46/89/273024689.db2.gz PZUOTFXQJNUEBS-GOSISDBHSA-N 2 1 346.475 1.100 20 0 EDADMP C[NH+]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000273004860 273024691 /nfs/dbraw/zinc/02/46/91/273024691.db2.gz PZUOTFXQJNUEBS-GOSISDBHSA-N 2 1 346.475 1.100 20 0 EDADMP CCOCCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274813141 268212516 /nfs/dbraw/zinc/21/25/16/268212516.db2.gz IIDHLPUEVHTENI-SJLPKXTDSA-N 2 1 333.476 1.639 20 0 EDADMP CCOCCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274813141 268212519 /nfs/dbraw/zinc/21/25/19/268212519.db2.gz IIDHLPUEVHTENI-SJLPKXTDSA-N 2 1 333.476 1.639 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+](CCCO)[C@H]2CCc3ccccc32)CC1 ZINC000275303328 268318704 /nfs/dbraw/zinc/31/87/04/268318704.db2.gz QHNINPPDCRTKPP-IBGZPJMESA-N 2 1 345.487 1.522 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCCO)[C@H]2CCc3ccccc32)CC1 ZINC000275303328 268318706 /nfs/dbraw/zinc/31/87/06/268318706.db2.gz QHNINPPDCRTKPP-IBGZPJMESA-N 2 1 345.487 1.522 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000275963369 268387871 /nfs/dbraw/zinc/38/78/71/268387871.db2.gz WBSXDEGVEHZZDM-GDBMZVCRSA-N 2 1 325.478 1.036 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000275963369 268387873 /nfs/dbraw/zinc/38/78/73/268387873.db2.gz WBSXDEGVEHZZDM-GDBMZVCRSA-N 2 1 325.478 1.036 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000283894847 274001453 /nfs/dbraw/zinc/00/14/53/274001453.db2.gz KEWJNHBAQVPHFV-MRXNPFEDSA-N 2 1 343.431 1.007 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000353547029 276253678 /nfs/dbraw/zinc/25/36/78/276253678.db2.gz XVXPPGZDHGOFRH-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000351484836 277195268 /nfs/dbraw/zinc/19/52/68/277195268.db2.gz GANRQCAQJBADQN-RBUKOAKNSA-N 2 1 345.487 1.703 20 0 EDADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000351484836 277195270 /nfs/dbraw/zinc/19/52/70/277195270.db2.gz GANRQCAQJBADQN-RBUKOAKNSA-N 2 1 345.487 1.703 20 0 EDADMP C[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000262144307 278196854 /nfs/dbraw/zinc/19/68/54/278196854.db2.gz YDSZBBZTFZMEOO-WMZOPIPTSA-N 2 1 330.476 1.013 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339936120 279130031 /nfs/dbraw/zinc/13/00/31/279130031.db2.gz LONHRBRIDMQOQR-HOTGVXAUSA-N 2 1 328.501 1.373 20 0 EDADMP CNS(=O)(=O)c1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000659983426 452890499 /nfs/dbraw/zinc/89/04/99/452890499.db2.gz MAIYFRIMVGFKAI-ZFWWWQNUSA-N 2 1 325.478 1.509 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000659983426 452890503 /nfs/dbraw/zinc/89/05/03/452890503.db2.gz MAIYFRIMVGFKAI-ZFWWWQNUSA-N 2 1 325.478 1.509 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000659983426 452890509 /nfs/dbraw/zinc/89/05/09/452890509.db2.gz MAIYFRIMVGFKAI-ZFWWWQNUSA-N 2 1 325.478 1.509 20 0 EDADMP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000290733516 288944456 /nfs/dbraw/zinc/94/44/56/288944456.db2.gz XJQSDQYGCJQXFX-DOTOQJQBSA-N 2 1 332.448 1.759 20 0 EDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)NC(=O)NCc3ccccc3)C2)C1 ZINC000292037683 289245424 /nfs/dbraw/zinc/24/54/24/289245424.db2.gz ADWRBCPOBLANCB-LJQANCHMSA-N 2 1 344.459 1.430 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)NC(=O)NCc3ccccc3)C2)C1 ZINC000292037683 289245426 /nfs/dbraw/zinc/24/54/26/289245426.db2.gz ADWRBCPOBLANCB-LJQANCHMSA-N 2 1 344.459 1.430 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)C2)C1 ZINC000292037683 289245428 /nfs/dbraw/zinc/24/54/28/289245428.db2.gz ADWRBCPOBLANCB-LJQANCHMSA-N 2 1 344.459 1.430 20 0 EDADMP C[C@@H](CCCC[NH3+])NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000292082285 289257058 /nfs/dbraw/zinc/25/70/58/289257058.db2.gz MGNNQJARXIPIRY-FUHWJXTLSA-N 2 1 332.492 1.609 20 0 EDADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292255475 289299218 /nfs/dbraw/zinc/29/92/18/289299218.db2.gz SISRHVLXFHQDOR-HNNXBMFYSA-N 2 1 333.476 1.886 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000292489498 289361808 /nfs/dbraw/zinc/36/18/08/289361808.db2.gz OBRJIYWUXQCFEV-BZSNNMDCSA-N 2 1 329.444 1.098 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000292489498 289361810 /nfs/dbraw/zinc/36/18/10/289361810.db2.gz OBRJIYWUXQCFEV-BZSNNMDCSA-N 2 1 329.444 1.098 20 0 EDADMP C[C@@H](C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C[NH+](C)C ZINC000293346688 289589394 /nfs/dbraw/zinc/58/93/94/289589394.db2.gz GUHCIQVVKADQQC-KBPBESRZSA-N 2 1 327.494 1.785 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCCC1)C[NH+]1CCOCC1 ZINC000185484514 289665730 /nfs/dbraw/zinc/66/57/30/289665730.db2.gz ISCPQXNVRMOFQN-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]2CC23CC[NH2+]CC3)C[C@H](C)O1 ZINC000261990517 297017369 /nfs/dbraw/zinc/01/73/69/297017369.db2.gz YCDQJOIZJGWQJF-VVLHAWIVSA-N 2 1 335.492 1.476 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H]2CC23CC[NH2+]CC3)C[C@H](C)O1 ZINC000261990517 297017371 /nfs/dbraw/zinc/01/73/71/297017371.db2.gz YCDQJOIZJGWQJF-VVLHAWIVSA-N 2 1 335.492 1.476 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000339550136 297275430 /nfs/dbraw/zinc/27/54/30/297275430.db2.gz ZOOVXCVQXOGVJJ-DJIMGWMZSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H]1CN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH+](C)C ZINC000362652136 300139983 /nfs/dbraw/zinc/13/99/83/300139983.db2.gz JLEJVRYFSLLTEB-JONQDZQNSA-N 2 1 340.512 1.466 20 0 EDADMP C[C@H]1CN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH+](C)C ZINC000362652136 300139985 /nfs/dbraw/zinc/13/99/85/300139985.db2.gz JLEJVRYFSLLTEB-JONQDZQNSA-N 2 1 340.512 1.466 20 0 EDADMP Cc1nn(-c2ccncc2)cc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414765863 447324039 /nfs/dbraw/zinc/32/40/39/447324039.db2.gz CUDUHJISXUWUKL-MOPGFXCFSA-N 2 1 341.459 1.904 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)cn2cc[nH+]c12 ZINC000293626464 302994589 /nfs/dbraw/zinc/99/45/89/302994589.db2.gz GDPYFGFQKYOQKJ-UHFFFAOYSA-N 2 1 343.431 1.526 20 0 EDADMP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC000295660056 303248544 /nfs/dbraw/zinc/24/85/44/303248544.db2.gz SKQQJZKRGKNNQB-DLBZAZTESA-N 2 1 341.415 1.203 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC000295660056 303248545 /nfs/dbraw/zinc/24/85/45/303248545.db2.gz SKQQJZKRGKNNQB-DLBZAZTESA-N 2 1 341.415 1.203 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000296349993 303312382 /nfs/dbraw/zinc/31/23/82/303312382.db2.gz IYUSYXPCTVIMOA-QGZVFWFLSA-N 2 1 346.519 1.828 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1 ZINC000414862875 447333550 /nfs/dbraw/zinc/33/35/50/447333550.db2.gz ADCBDMCOIVRMKO-MRXNPFEDSA-N 2 1 332.448 1.143 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1 ZINC000414862875 447333542 /nfs/dbraw/zinc/33/35/42/447333542.db2.gz ADCBDMCOIVRMKO-MRXNPFEDSA-N 2 1 332.448 1.143 20 0 EDADMP C[NH2+]Cc1cccc(NCc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000414868822 447334529 /nfs/dbraw/zinc/33/45/29/447334529.db2.gz PSRKSBGXOWANAN-UHFFFAOYSA-N 2 1 326.448 1.560 20 0 EDADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)C(C)(C)C ZINC000458399913 447346154 /nfs/dbraw/zinc/34/61/54/447346154.db2.gz GIKGQEKVPXWVJK-HZPDHXFCSA-N 2 1 342.528 1.499 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NC(C)(C)CC[NH3+])CC2)nc(C)[nH+]1 ZINC000422602260 304873805 /nfs/dbraw/zinc/87/38/05/304873805.db2.gz FMXGKMMXKRDPQR-UHFFFAOYSA-N 2 1 334.468 1.489 20 0 EDADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1Br ZINC000423411702 304894808 /nfs/dbraw/zinc/89/48/08/304894808.db2.gz VCYVSFOYQYDEGE-GAFUQQFSSA-N 2 1 329.238 1.689 20 0 EDADMP C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430544909 305055994 /nfs/dbraw/zinc/05/59/94/305055994.db2.gz PEXUFFWETOPTGK-GFCCVEGCSA-N 2 1 340.855 1.892 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000430585095 305057289 /nfs/dbraw/zinc/05/72/89/305057289.db2.gz WGSYLMQPUJIVEW-JKSUJKDBSA-N 2 1 325.497 1.901 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000430585095 305057290 /nfs/dbraw/zinc/05/72/90/305057290.db2.gz WGSYLMQPUJIVEW-JKSUJKDBSA-N 2 1 325.497 1.901 20 0 EDADMP C[NH2+]C[C@H]1CCCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000430596130 305057697 /nfs/dbraw/zinc/05/76/97/305057697.db2.gz ZGPFIHJWTCWMOB-GOSISDBHSA-N 2 1 330.476 1.015 20 0 EDADMP COCC[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430680323 305062302 /nfs/dbraw/zinc/06/23/02/305062302.db2.gz ONUNEFSRLUPRFU-UYAOXDASSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)COC2C[NH2+]C2)cc1 ZINC000430753560 305064128 /nfs/dbraw/zinc/06/41/28/305064128.db2.gz IYVPLCWDXDKXPT-HNNXBMFYSA-N 2 1 331.460 1.666 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000433072628 305099661 /nfs/dbraw/zinc/09/96/61/305099661.db2.gz PAWOCKAUDMCPQC-OPQOLIRYSA-N 2 1 337.508 1.628 20 0 EDADMP CN(C)[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccs1 ZINC000433121197 305100965 /nfs/dbraw/zinc/10/09/65/305100965.db2.gz QTZDNGQJLZLWPH-HNNXBMFYSA-N 2 1 338.521 1.670 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433360823 305106616 /nfs/dbraw/zinc/10/66/16/305106616.db2.gz LGOWOBLAEHFVBO-QGZVFWFLSA-N 2 1 346.519 1.752 20 0 EDADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000435540859 305142041 /nfs/dbraw/zinc/14/20/41/305142041.db2.gz DOSBIVOFQKYVGZ-AWEZNQCLSA-N 2 1 336.484 1.550 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000435540859 305142042 /nfs/dbraw/zinc/14/20/42/305142042.db2.gz DOSBIVOFQKYVGZ-AWEZNQCLSA-N 2 1 336.484 1.550 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000435570087 305142587 /nfs/dbraw/zinc/14/25/87/305142587.db2.gz ZVXSDDNJADWPFS-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2CC(C)C)C1 ZINC000438854429 305190155 /nfs/dbraw/zinc/19/01/55/305190155.db2.gz WITPOCXLXBMWGX-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000438854429 305190156 /nfs/dbraw/zinc/19/01/56/305190156.db2.gz WITPOCXLXBMWGX-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000438854429 305190157 /nfs/dbraw/zinc/19/01/57/305190157.db2.gz WITPOCXLXBMWGX-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000440956980 305214715 /nfs/dbraw/zinc/21/47/15/305214715.db2.gz LQFKCBWVXYHLRN-SJLPKXTDSA-N 2 1 336.524 1.536 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C[C@H](C)C2)C1 ZINC000443639780 305240397 /nfs/dbraw/zinc/24/03/97/305240397.db2.gz LOVCLITXJREDGM-FGTMMUONSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C[C@H](C)C2)C1 ZINC000443639780 305240398 /nfs/dbraw/zinc/24/03/98/305240398.db2.gz LOVCLITXJREDGM-FGTMMUONSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C[C@H](C)C2)C1 ZINC000443639780 305240399 /nfs/dbraw/zinc/24/03/99/305240399.db2.gz LOVCLITXJREDGM-FGTMMUONSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCCOCC1)[NH+]1CCCC1 ZINC000446594991 305267598 /nfs/dbraw/zinc/26/75/98/305267598.db2.gz UCWCRNRTEUNROR-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000446617372 305268153 /nfs/dbraw/zinc/26/81/53/305268153.db2.gz LMPFUWQRSQPSGV-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000447043610 305273136 /nfs/dbraw/zinc/27/31/36/305273136.db2.gz BUNCMVOVZSHDSD-OAHLLOKOSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000447043610 305273137 /nfs/dbraw/zinc/27/31/37/305273137.db2.gz BUNCMVOVZSHDSD-OAHLLOKOSA-N 2 1 338.496 1.223 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000447434546 305280294 /nfs/dbraw/zinc/28/02/94/305280294.db2.gz HLJNFAHSZLHXFR-MSOLQXFVSA-N 2 1 333.476 1.549 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)COC1CCC([NH3+])CC1 ZINC000449174361 305308893 /nfs/dbraw/zinc/30/88/93/305308893.db2.gz PEWRAIGSKVPZIV-ZLPCBKJTSA-N 2 1 333.476 1.910 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000449725585 305318087 /nfs/dbraw/zinc/31/80/87/305318087.db2.gz OBASFRZMVICVCM-WMZOPIPTSA-N 2 1 330.476 1.291 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CC1 ZINC000451721793 305364593 /nfs/dbraw/zinc/36/45/93/305364593.db2.gz ZBROJWCACWPRAF-JFIYKMOQSA-N 2 1 337.508 1.458 20 0 EDADMP CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000451966610 305374846 /nfs/dbraw/zinc/37/48/46/305374846.db2.gz MNZRPTOETNKOIH-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP O=C(C[N@H+]1CCC[C@@]2(CCSC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000451970133 305375111 /nfs/dbraw/zinc/37/51/11/305375111.db2.gz XURLAUONEZGIKU-GOSISDBHSA-N 2 1 337.533 1.949 20 0 EDADMP CS(=O)(=O)C1(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCC1 ZINC000425894823 447351758 /nfs/dbraw/zinc/35/17/58/447351758.db2.gz HNBJFYHOGZKFQF-UHFFFAOYSA-N 2 1 327.450 1.199 20 0 EDADMP CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000456323659 447360629 /nfs/dbraw/zinc/36/06/29/447360629.db2.gz WILFPHSVTWALFR-WVDLQDBSSA-N 2 1 337.508 1.862 20 0 EDADMP CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000456323659 447360633 /nfs/dbraw/zinc/36/06/33/447360633.db2.gz WILFPHSVTWALFR-WVDLQDBSSA-N 2 1 337.508 1.862 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000414943201 447364962 /nfs/dbraw/zinc/36/49/62/447364962.db2.gz NNRXYKUJQIUFSX-DZGCQCFKSA-N 2 1 344.459 1.476 20 0 EDADMP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000530225341 305934916 /nfs/dbraw/zinc/93/49/16/305934916.db2.gz XCKJNXBBEJDUIS-UHFFFAOYSA-N 2 1 339.443 1.378 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000377808043 447365815 /nfs/dbraw/zinc/36/58/15/447365815.db2.gz CVVYZPWUMFVGSL-SPUZQDLCSA-N 2 1 345.491 1.953 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000377808043 447365824 /nfs/dbraw/zinc/36/58/24/447365824.db2.gz CVVYZPWUMFVGSL-SPUZQDLCSA-N 2 1 345.491 1.953 20 0 EDADMP C[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000539750761 306036191 /nfs/dbraw/zinc/03/61/91/306036191.db2.gz VWUYYHUYRMDLBD-QGZVFWFLSA-N 2 1 337.439 1.485 20 0 EDADMP C[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000539750761 306036192 /nfs/dbraw/zinc/03/61/92/306036192.db2.gz VWUYYHUYRMDLBD-QGZVFWFLSA-N 2 1 337.439 1.485 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000539920171 306038263 /nfs/dbraw/zinc/03/82/63/306038263.db2.gz FEUBECUCLIOFEW-APWZRJJASA-N 2 1 347.503 1.642 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000539920171 306038264 /nfs/dbraw/zinc/03/82/64/306038264.db2.gz FEUBECUCLIOFEW-APWZRJJASA-N 2 1 347.503 1.642 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NCC1(C)CC[NH+](C)CC1)n2C ZINC000543750758 306068987 /nfs/dbraw/zinc/06/89/87/306068987.db2.gz WFFKCRFAABUCEL-UHFFFAOYSA-N 2 1 344.463 1.496 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000548459667 306128383 /nfs/dbraw/zinc/12/83/83/306128383.db2.gz PSHUMSZHFBPOAP-BZUAXINKSA-N 2 1 325.497 1.913 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000548459669 306128485 /nfs/dbraw/zinc/12/84/85/306128485.db2.gz PSHUMSZHFBPOAP-OWCLPIDISA-N 2 1 325.497 1.913 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@](C)(O)CC)CC2)CC1 ZINC000553158185 306183054 /nfs/dbraw/zinc/18/30/54/306183054.db2.gz OPGVCRCKFPJEOI-GOSISDBHSA-N 2 1 325.497 1.460 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]2(C)CO)CC1 ZINC000554997038 306199570 /nfs/dbraw/zinc/19/95/70/306199570.db2.gz IGILWDNCPPKVPQ-HXUWFJFHSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]2(C)CO)CC1 ZINC000554997038 306199571 /nfs/dbraw/zinc/19/95/71/306199571.db2.gz IGILWDNCPPKVPQ-HXUWFJFHSA-N 2 1 345.487 1.486 20 0 EDADMP CC[C@@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[N@@H+](C)Cc1ccccc1 ZINC000556850958 306220141 /nfs/dbraw/zinc/22/01/41/306220141.db2.gz XFXWJPFQXXMSNM-ICSRJNTNSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CCSC1 ZINC000557191908 306225955 /nfs/dbraw/zinc/22/59/55/306225955.db2.gz ZBULDOYCIGJZBS-NVXWUHKLSA-N 2 1 349.504 1.175 20 0 EDADMP C[C@@]1(CNC(=O)NC[C@@H]2C[NH2+]CCO2)CCC[N@H+]1Cc1ccccc1 ZINC000557204740 306226343 /nfs/dbraw/zinc/22/63/43/306226343.db2.gz HMRFRNSKNMXNRE-HKUYNNGSSA-N 2 1 346.475 1.329 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000557338910 306227495 /nfs/dbraw/zinc/22/74/95/306227495.db2.gz HRRGLPKEXGRKFZ-JHNDHUHGSA-N 2 1 348.495 1.457 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000557338910 306227496 /nfs/dbraw/zinc/22/74/96/306227496.db2.gz HRRGLPKEXGRKFZ-JHNDHUHGSA-N 2 1 348.495 1.457 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2C[NH2+]C)C[C@@H]1C ZINC000414946596 447368491 /nfs/dbraw/zinc/36/84/91/447368491.db2.gz UEJVWRCKNWSDMX-GOEBONIOSA-N 2 1 346.475 1.676 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[NH+](C)CC[C@@H]1C)CCC(F)(F)F ZINC000426000627 447376468 /nfs/dbraw/zinc/37/64/68/447376468.db2.gz HWJAWZSMWCYWNI-ZDUSSCGKSA-N 2 1 338.418 1.996 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@H+](C)CC[C@@H]1C)CCC(F)(F)F ZINC000426000627 447376474 /nfs/dbraw/zinc/37/64/74/447376474.db2.gz HWJAWZSMWCYWNI-ZDUSSCGKSA-N 2 1 338.418 1.996 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)CCC(F)(F)F ZINC000426000627 447376478 /nfs/dbraw/zinc/37/64/78/447376478.db2.gz HWJAWZSMWCYWNI-ZDUSSCGKSA-N 2 1 338.418 1.996 20 0 EDADMP CC[N@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)NCC[NH+](C)C)C1 ZINC000426131650 447395803 /nfs/dbraw/zinc/39/58/03/447395803.db2.gz RASIOPZZHZTHGT-UHFFFAOYSA-N 2 1 342.484 1.042 20 0 EDADMP CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)NCC[NH+](C)C)C1 ZINC000426131650 447395808 /nfs/dbraw/zinc/39/58/08/447395808.db2.gz RASIOPZZHZTHGT-UHFFFAOYSA-N 2 1 342.484 1.042 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665552365 453743896 /nfs/dbraw/zinc/74/38/96/453743896.db2.gz ATZHYMMHXZFJAR-HNNXBMFYSA-N 2 1 327.517 1.042 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)NC[C@H](C)COC)CC2)CC1 ZINC000422225802 447410508 /nfs/dbraw/zinc/41/05/08/447410508.db2.gz HMYOGIGVEPFXMM-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000017314024 441240894 /nfs/dbraw/zinc/24/08/94/441240894.db2.gz WQLUKGDYXHQETA-UHFFFAOYSA-N 2 1 335.448 1.394 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000080969292 441214645 /nfs/dbraw/zinc/21/46/45/441214645.db2.gz QGICBHOIXWCNDJ-HNNXBMFYSA-N 2 1 333.480 1.578 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000080969292 441214649 /nfs/dbraw/zinc/21/46/49/441214649.db2.gz QGICBHOIXWCNDJ-HNNXBMFYSA-N 2 1 333.480 1.578 20 0 EDADMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000081248605 441244442 /nfs/dbraw/zinc/24/44/42/441244442.db2.gz SRQFFMTYGJASFB-ZWKOTPCHSA-N 2 1 331.460 1.270 20 0 EDADMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000081248605 441244446 /nfs/dbraw/zinc/24/44/46/441244446.db2.gz SRQFFMTYGJASFB-ZWKOTPCHSA-N 2 1 331.460 1.270 20 0 EDADMP CC[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000081248605 441244450 /nfs/dbraw/zinc/24/44/50/441244450.db2.gz SRQFFMTYGJASFB-ZWKOTPCHSA-N 2 1 331.460 1.270 20 0 EDADMP CC[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000081248605 441244455 /nfs/dbraw/zinc/24/44/55/441244455.db2.gz SRQFFMTYGJASFB-ZWKOTPCHSA-N 2 1 331.460 1.270 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000072963276 441279501 /nfs/dbraw/zinc/27/95/01/441279501.db2.gz SOIJVFMOXDRBLI-BBWFWOEESA-N 2 1 325.497 1.581 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000072963276 441279505 /nfs/dbraw/zinc/27/95/05/441279505.db2.gz SOIJVFMOXDRBLI-BBWFWOEESA-N 2 1 325.497 1.581 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000072963276 441279510 /nfs/dbraw/zinc/27/95/10/441279510.db2.gz SOIJVFMOXDRBLI-BBWFWOEESA-N 2 1 325.497 1.581 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000072963276 441279513 /nfs/dbraw/zinc/27/95/13/441279513.db2.gz SOIJVFMOXDRBLI-BBWFWOEESA-N 2 1 325.497 1.581 20 0 EDADMP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000073074749 441290808 /nfs/dbraw/zinc/29/08/08/441290808.db2.gz XSQRDXJZKTZKBB-KRWDZBQOSA-N 2 1 342.487 1.552 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000073643719 441337608 /nfs/dbraw/zinc/33/76/08/441337608.db2.gz WMUMKVJLHGEWNM-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000073643719 441337610 /nfs/dbraw/zinc/33/76/10/441337610.db2.gz WMUMKVJLHGEWNM-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876116 441303567 /nfs/dbraw/zinc/30/35/67/441303567.db2.gz TUTZIEMSRNWGTP-GFCCVEGCSA-N 2 1 333.436 1.051 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000062504606 441304047 /nfs/dbraw/zinc/30/40/47/441304047.db2.gz DLFHXFNRUHAZER-MRXNPFEDSA-N 2 1 348.491 1.658 20 0 EDADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000105903643 441315369 /nfs/dbraw/zinc/31/53/69/441315369.db2.gz IHYNBUJSYDDXAT-MRXNPFEDSA-N 2 1 333.432 1.845 20 0 EDADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000074831864 441470863 /nfs/dbraw/zinc/47/08/63/441470863.db2.gz AODIYQHKQPMTMC-KRWDZBQOSA-N 2 1 338.496 1.082 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000074831864 441470867 /nfs/dbraw/zinc/47/08/67/441470867.db2.gz AODIYQHKQPMTMC-KRWDZBQOSA-N 2 1 338.496 1.082 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc(OC)c1 ZINC000088251575 441501286 /nfs/dbraw/zinc/50/12/86/441501286.db2.gz SQJMFEDCKZORNT-INIZCTEOSA-N 2 1 349.475 1.735 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc(OC)c1 ZINC000088251575 441501290 /nfs/dbraw/zinc/50/12/90/441501290.db2.gz SQJMFEDCKZORNT-INIZCTEOSA-N 2 1 349.475 1.735 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C2)cc(OC)c1 ZINC000088251575 441501294 /nfs/dbraw/zinc/50/12/94/441501294.db2.gz SQJMFEDCKZORNT-INIZCTEOSA-N 2 1 349.475 1.735 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc(OC)c1 ZINC000088251575 441501297 /nfs/dbraw/zinc/50/12/97/441501297.db2.gz SQJMFEDCKZORNT-INIZCTEOSA-N 2 1 349.475 1.735 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000076310074 441627740 /nfs/dbraw/zinc/62/77/40/441627740.db2.gz IZTYWHCITDUUKZ-MRXNPFEDSA-N 2 1 329.488 1.934 20 0 EDADMP O=C(CN1CC[C@@H](O)C1)Nc1cccc(CN2CCSCC2)c1 ZINC000114485668 441663648 /nfs/dbraw/zinc/66/36/48/441663648.db2.gz SZKMGYDAIVLWPE-MRXNPFEDSA-N 2 1 335.473 1.241 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000158697534 441756620 /nfs/dbraw/zinc/75/66/20/441756620.db2.gz WAHGIVUQDLZMRN-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+]1CCC(CNC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000057001789 441768614 /nfs/dbraw/zinc/76/86/14/441768614.db2.gz LKGJHSLUGQQGIT-UHFFFAOYSA-N 2 1 347.507 1.480 20 0 EDADMP COC(=O)CCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000116400373 441819632 /nfs/dbraw/zinc/81/96/32/441819632.db2.gz WIYSUMDLCFDIBA-UHFFFAOYSA-N 2 1 333.476 1.689 20 0 EDADMP COC(=O)CCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000116400373 441819638 /nfs/dbraw/zinc/81/96/38/441819638.db2.gz WIYSUMDLCFDIBA-UHFFFAOYSA-N 2 1 333.476 1.689 20 0 EDADMP Cn1ccc(N2CCC[C@H]([NH+]3CCC(C[NH+]4CCCC4)CC3)C2=O)n1 ZINC000173533514 441781763 /nfs/dbraw/zinc/78/17/63/441781763.db2.gz FNVMOIKORQYTTI-KRWDZBQOSA-N 2 1 345.491 1.723 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+](CCCO)CC(C)(C)C)cn2)CC1 ZINC000093146222 441861196 /nfs/dbraw/zinc/86/11/96/441861196.db2.gz PWRJLMYUJYBNIY-UHFFFAOYSA-N 2 1 335.496 1.459 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+](CCCO)CC(C)(C)C)cn2)CC1 ZINC000093146222 441861201 /nfs/dbraw/zinc/86/12/01/441861201.db2.gz PWRJLMYUJYBNIY-UHFFFAOYSA-N 2 1 335.496 1.459 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000121996948 441825903 /nfs/dbraw/zinc/82/59/03/441825903.db2.gz LKTMUMHYBUPWMW-UHFFFAOYSA-N 2 1 348.491 1.312 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000121996948 441825910 /nfs/dbraw/zinc/82/59/10/441825910.db2.gz LKTMUMHYBUPWMW-UHFFFAOYSA-N 2 1 348.491 1.312 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000121996948 441825912 /nfs/dbraw/zinc/82/59/12/441825912.db2.gz LKTMUMHYBUPWMW-UHFFFAOYSA-N 2 1 348.491 1.312 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(C)n1 ZINC000174149213 441893467 /nfs/dbraw/zinc/89/34/67/441893467.db2.gz YPRWJXCFMONFSX-SFHVURJKSA-N 2 1 347.507 1.948 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000174823208 441973437 /nfs/dbraw/zinc/97/34/37/441973437.db2.gz ZDAIJXQGIFAKRY-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000174840489 441974900 /nfs/dbraw/zinc/97/49/00/441974900.db2.gz BCFBVPRGXQDMMW-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP CC(C)C[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000174508858 441932293 /nfs/dbraw/zinc/93/22/93/441932293.db2.gz LKGYIYPQPVGDAI-GOSISDBHSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)C[NH+]1CCOCC1 ZINC000150722398 441936497 /nfs/dbraw/zinc/93/64/97/441936497.db2.gz FVNMKRSTHHUACY-KRWDZBQOSA-N 2 1 345.487 1.981 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000119663377 441945483 /nfs/dbraw/zinc/94/54/83/441945483.db2.gz CKBAHLQPNIIGED-SJORKVTESA-N 2 1 340.512 1.394 20 0 EDADMP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721000 441959161 /nfs/dbraw/zinc/95/91/61/441959161.db2.gz ZIZSYPHQKXPTBT-SFHVURJKSA-N 2 1 346.519 1.603 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000120428292 442069848 /nfs/dbraw/zinc/06/98/48/442069848.db2.gz YTTOXZKTYHTVLJ-OAHLLOKOSA-N 2 1 343.537 1.241 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000120428292 442069849 /nfs/dbraw/zinc/06/98/49/442069849.db2.gz YTTOXZKTYHTVLJ-OAHLLOKOSA-N 2 1 343.537 1.241 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000175734622 442113412 /nfs/dbraw/zinc/11/34/12/442113412.db2.gz FOEOEHTYEZYMIO-GOSISDBHSA-N 2 1 348.491 1.653 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000175734622 442113418 /nfs/dbraw/zinc/11/34/18/442113418.db2.gz FOEOEHTYEZYMIO-GOSISDBHSA-N 2 1 348.491 1.653 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000175734622 442113423 /nfs/dbraw/zinc/11/34/23/442113423.db2.gz FOEOEHTYEZYMIO-GOSISDBHSA-N 2 1 348.491 1.653 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000175734622 442113426 /nfs/dbraw/zinc/11/34/26/442113426.db2.gz FOEOEHTYEZYMIO-GOSISDBHSA-N 2 1 348.491 1.653 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000175772050 442119358 /nfs/dbraw/zinc/11/93/58/442119358.db2.gz PLZXNQPWNIBUSL-KRWDZBQOSA-N 2 1 341.544 1.099 20 0 EDADMP CC[N@@H+](CC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)C1CC1 ZINC000151905684 442138252 /nfs/dbraw/zinc/13/82/52/442138252.db2.gz HUUGKYJNDLRZAG-IRXDYDNUSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000121159729 442184721 /nfs/dbraw/zinc/18/47/21/442184721.db2.gz IBHHMRJLLXQRQL-LSDHHAIUSA-N 2 1 339.505 1.929 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000175950028 442152604 /nfs/dbraw/zinc/15/26/04/442152604.db2.gz ZRMNTIGKKGRWCR-QGZVFWFLSA-N 2 1 336.455 1.993 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000126940213 442156339 /nfs/dbraw/zinc/15/63/39/442156339.db2.gz WSQPHEYOGVQWAB-IEBWSBKVSA-N 2 1 348.491 1.263 20 0 EDADMP CC[C@@H](C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)[NH+](C)C ZINC000163424518 442164354 /nfs/dbraw/zinc/16/43/54/442164354.db2.gz FEQUPLPNNBBAAS-ZDUSSCGKSA-N 2 1 339.402 1.440 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000165946674 442212151 /nfs/dbraw/zinc/21/21/51/442212151.db2.gz SQOZZLMMHVMFGR-JQHSSLGASA-N 2 1 331.460 1.659 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)C(C)(C)C[NH3+])CC1)Cc1ccccc1 ZINC000167701095 442222470 /nfs/dbraw/zinc/22/24/70/442222470.db2.gz ROEWVEIXJAXTKX-UHFFFAOYSA-N 2 1 332.492 1.248 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000128095695 442244805 /nfs/dbraw/zinc/24/48/05/442244805.db2.gz RZCUNVHWGKGNCK-QGZVFWFLSA-N 2 1 344.503 1.832 20 0 EDADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000170836432 442271999 /nfs/dbraw/zinc/27/19/99/442271999.db2.gz GQNHTWCVXBJZJH-UHFFFAOYSA-N 2 1 329.448 1.224 20 0 EDADMP CCc1nc(CN2CC[NH+](CCCCn3cc[nH+]c3C)CC2)no1 ZINC000129056674 442300404 /nfs/dbraw/zinc/30/04/04/442300404.db2.gz RCFJKIRTBFCMDY-UHFFFAOYSA-N 2 1 332.452 1.735 20 0 EDADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ncc[nH]2)cc1 ZINC000130176632 442340659 /nfs/dbraw/zinc/34/06/59/442340659.db2.gz XFAHUIVKWMATSW-UHFFFAOYSA-N 2 1 327.432 1.525 20 0 EDADMP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129291735 442310146 /nfs/dbraw/zinc/31/01/46/442310146.db2.gz NUDRRIQDHIHDAN-ZWKOTPCHSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1CNC(=O)[C@H](C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129291735 442310150 /nfs/dbraw/zinc/31/01/50/442310150.db2.gz NUDRRIQDHIHDAN-ZWKOTPCHSA-N 2 1 345.487 1.654 20 0 EDADMP [NH3+]Cc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000131244102 442368000 /nfs/dbraw/zinc/36/80/00/442368000.db2.gz UMITUQCYZSKBIL-GOSISDBHSA-N 2 1 325.412 1.985 20 0 EDADMP [NH3+]Cc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000131244102 442368003 /nfs/dbraw/zinc/36/80/03/442368003.db2.gz UMITUQCYZSKBIL-GOSISDBHSA-N 2 1 325.412 1.985 20 0 EDADMP C[C@H](CNC(=O)c1ccccc1OCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000134197582 442457572 /nfs/dbraw/zinc/45/75/72/442457572.db2.gz HCYVLXJCQVUMSI-MRXNPFEDSA-N 2 1 349.475 1.325 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2)C[C@@H](C)O1 ZINC000178551174 442443185 /nfs/dbraw/zinc/44/31/85/442443185.db2.gz ZDVWGAOAKLHXOU-BFYDXBDKSA-N 2 1 331.460 1.717 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NC(=O)NC(C)(C)C ZINC000191513312 442456117 /nfs/dbraw/zinc/45/61/17/442456117.db2.gz CMFLNRWSHFNWDR-UHFFFAOYSA-N 2 1 337.468 1.782 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NC(=O)NC(C)(C)C ZINC000191513312 442456120 /nfs/dbraw/zinc/45/61/20/442456120.db2.gz CMFLNRWSHFNWDR-UHFFFAOYSA-N 2 1 337.468 1.782 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c2ccccc2)CC1 ZINC000158128589 442648299 /nfs/dbraw/zinc/64/82/99/442648299.db2.gz YRQSAMJVLBLMRQ-QUCCMNQESA-N 2 1 342.487 1.187 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000180735083 442653868 /nfs/dbraw/zinc/65/38/68/442653868.db2.gz CYSQMSAEVPTYQQ-SJLPKXTDSA-N 2 1 347.507 1.481 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000180735083 442653871 /nfs/dbraw/zinc/65/38/71/442653871.db2.gz CYSQMSAEVPTYQQ-SJLPKXTDSA-N 2 1 347.507 1.481 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000180735083 442653874 /nfs/dbraw/zinc/65/38/74/442653874.db2.gz CYSQMSAEVPTYQQ-SJLPKXTDSA-N 2 1 347.507 1.481 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000180735083 442653877 /nfs/dbraw/zinc/65/38/77/442653877.db2.gz CYSQMSAEVPTYQQ-SJLPKXTDSA-N 2 1 347.507 1.481 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000187973876 442701208 /nfs/dbraw/zinc/70/12/08/442701208.db2.gz AZIAWYXMOUKWBR-BPQIPLTHSA-N 2 1 331.460 1.486 20 0 EDADMP CC(C)[NH+](CCCNC(=O)NCC[N@H+]1CCCOCC1)C(C)C ZINC000187245116 442663190 /nfs/dbraw/zinc/66/31/90/442663190.db2.gz RPNZXYFLVJBCFD-UHFFFAOYSA-N 2 1 328.501 1.517 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+](CC)CCO)C1 ZINC000187267983 442665966 /nfs/dbraw/zinc/66/59/66/442665966.db2.gz XCVUPDXCOCEJKG-MRXNPFEDSA-N 2 1 342.528 1.500 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+](CC)CCO)C1 ZINC000187267983 442665969 /nfs/dbraw/zinc/66/59/69/442665969.db2.gz XCVUPDXCOCEJKG-MRXNPFEDSA-N 2 1 342.528 1.500 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+](CC)CCO)C1 ZINC000187267983 442665971 /nfs/dbraw/zinc/66/59/71/442665971.db2.gz XCVUPDXCOCEJKG-MRXNPFEDSA-N 2 1 342.528 1.500 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)[C@H](C)C1 ZINC000180904612 442668391 /nfs/dbraw/zinc/66/83/91/442668391.db2.gz GOBVOELIUJUYPK-BRWVUGGUSA-N 2 1 325.497 1.722 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)[C@H](C)C1 ZINC000180904612 442668394 /nfs/dbraw/zinc/66/83/94/442668394.db2.gz GOBVOELIUJUYPK-BRWVUGGUSA-N 2 1 325.497 1.722 20 0 EDADMP C[NH2+]CC(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193134986 442716587 /nfs/dbraw/zinc/71/65/87/442716587.db2.gz ZODFNLLZFSIEAA-MRXNPFEDSA-N 2 1 327.432 1.796 20 0 EDADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1(C)C ZINC000188071635 442708121 /nfs/dbraw/zinc/70/81/21/442708121.db2.gz LSUDAUOYMAUCJZ-FXAWDEMLSA-N 2 1 345.487 1.693 20 0 EDADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1(C)C ZINC000188071635 442708123 /nfs/dbraw/zinc/70/81/23/442708123.db2.gz LSUDAUOYMAUCJZ-FXAWDEMLSA-N 2 1 345.487 1.693 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000182331622 442757667 /nfs/dbraw/zinc/75/76/67/442757667.db2.gz VRIGPUPGXKKIQY-IBGZPJMESA-N 2 1 347.503 1.466 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC000188783111 442812056 /nfs/dbraw/zinc/81/20/56/442812056.db2.gz HATYWSPOCDPSQT-HIFRSBDPSA-N 2 1 339.443 1.448 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3CC[NH+](C4CC4)C3)cc2C1 ZINC000193920463 442812341 /nfs/dbraw/zinc/81/23/41/442812341.db2.gz FVDSPGYCGNMQAT-CYBMUJFWSA-N 2 1 342.443 1.171 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3CC[NH+](C4CC4)C3)cc2C1 ZINC000193920463 442812348 /nfs/dbraw/zinc/81/23/48/442812348.db2.gz FVDSPGYCGNMQAT-CYBMUJFWSA-N 2 1 342.443 1.171 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2C1 ZINC000193920463 442812352 /nfs/dbraw/zinc/81/23/52/442812352.db2.gz FVDSPGYCGNMQAT-CYBMUJFWSA-N 2 1 342.443 1.171 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)cc2C1 ZINC000193920463 442812359 /nfs/dbraw/zinc/81/23/59/442812359.db2.gz FVDSPGYCGNMQAT-CYBMUJFWSA-N 2 1 342.443 1.171 20 0 EDADMP CCc1nc2ccccc2n1CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188788825 442812668 /nfs/dbraw/zinc/81/26/68/442812668.db2.gz YHYTZZJKDWPSPP-AWEZNQCLSA-N 2 1 330.432 1.124 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000265535991 442814262 /nfs/dbraw/zinc/81/42/62/442814262.db2.gz KAMPTGNVPDQTKN-ZWKOTPCHSA-N 2 1 346.475 1.281 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000265535991 442814266 /nfs/dbraw/zinc/81/42/66/442814266.db2.gz KAMPTGNVPDQTKN-ZWKOTPCHSA-N 2 1 346.475 1.281 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000265535991 442814269 /nfs/dbraw/zinc/81/42/69/442814269.db2.gz KAMPTGNVPDQTKN-ZWKOTPCHSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000268144849 442868435 /nfs/dbraw/zinc/86/84/35/442868435.db2.gz DVYYUFOCMUVDBW-MNEFBYGVSA-N 2 1 343.471 1.486 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000268144849 442868440 /nfs/dbraw/zinc/86/84/40/442868440.db2.gz DVYYUFOCMUVDBW-MNEFBYGVSA-N 2 1 343.471 1.486 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000268144849 442868444 /nfs/dbraw/zinc/86/84/44/442868444.db2.gz DVYYUFOCMUVDBW-MNEFBYGVSA-N 2 1 343.471 1.486 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000268144849 442868445 /nfs/dbraw/zinc/86/84/45/442868445.db2.gz DVYYUFOCMUVDBW-MNEFBYGVSA-N 2 1 343.471 1.486 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000265682994 442878060 /nfs/dbraw/zinc/87/80/60/442878060.db2.gz CDXPWWYUJSLDPJ-DLBZAZTESA-N 2 1 334.464 1.309 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C[NH+]1CCOCC1 ZINC000265728820 442897333 /nfs/dbraw/zinc/89/73/33/442897333.db2.gz RTAVQOLVKZSSGU-AEFFLSMTSA-N 2 1 348.491 1.557 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000194910003 442967300 /nfs/dbraw/zinc/96/73/00/442967300.db2.gz CMQZYPQLSXLMBC-YESZJQIVSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000194910003 442967303 /nfs/dbraw/zinc/96/73/03/442967303.db2.gz CMQZYPQLSXLMBC-YESZJQIVSA-N 2 1 340.512 1.469 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCOCC(F)(F)C(F)F ZINC000189781518 443009790 /nfs/dbraw/zinc/00/97/90/443009790.db2.gz IGOQBBBGPUZJQQ-UHFFFAOYSA-N 2 1 329.382 1.473 20 0 EDADMP C[C@@H](CN1CC[C@H]([NH+]2CCCC2)C1)C[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000251061529 443013715 /nfs/dbraw/zinc/01/37/15/443013715.db2.gz CJYBIHLVEBLZPC-OWZKRDHZSA-N 2 1 334.552 1.963 20 0 EDADMP C[C@H](CN1CC[C@@H]([NH+]2CCCC2)C1)C[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000251061529 443013720 /nfs/dbraw/zinc/01/37/20/443013720.db2.gz CJYBIHLVEBLZPC-OWZKRDHZSA-N 2 1 334.552 1.963 20 0 EDADMP C[C@H](CN1CC[C@@H]([NH+]2CCCC2)C1)C[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000251061529 443013723 /nfs/dbraw/zinc/01/37/23/443013723.db2.gz CJYBIHLVEBLZPC-OWZKRDHZSA-N 2 1 334.552 1.963 20 0 EDADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1F ZINC000261883880 443172319 /nfs/dbraw/zinc/17/23/19/443172319.db2.gz FPTXMPKFOLTVHM-NXHRZFHOSA-N 2 1 349.450 1.611 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)cs1 ZINC000237721820 443180756 /nfs/dbraw/zinc/18/07/56/443180756.db2.gz SKFKUJAOZPKNPV-CABCVRRESA-N 2 1 336.505 1.907 20 0 EDADMP C[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000262102831 443183023 /nfs/dbraw/zinc/18/30/23/443183023.db2.gz SZJOMKMCYYKQJM-JZXOWHBKSA-N 2 1 339.524 1.968 20 0 EDADMP C[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000262102831 443183024 /nfs/dbraw/zinc/18/30/24/443183024.db2.gz SZJOMKMCYYKQJM-JZXOWHBKSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000262269699 443188092 /nfs/dbraw/zinc/18/80/92/443188092.db2.gz MTOOGMCREBENGI-UHFFFAOYSA-N 2 1 333.476 1.899 20 0 EDADMP CN(C(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000269235389 443244624 /nfs/dbraw/zinc/24/46/24/443244624.db2.gz GLKNUFQIIWIAEU-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000357651942 319112203 /nfs/dbraw/zinc/11/22/03/319112203.db2.gz OPNAWHLZVRKJHP-IAGOWNOFSA-N 2 1 342.528 1.763 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000357651942 319112204 /nfs/dbraw/zinc/11/22/04/319112204.db2.gz OPNAWHLZVRKJHP-IAGOWNOFSA-N 2 1 342.528 1.763 20 0 EDADMP C[N@H+](CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)C1CC1 ZINC000264133152 443251981 /nfs/dbraw/zinc/25/19/81/443251981.db2.gz UOXAXXGRYBFWFX-GOSISDBHSA-N 2 1 331.460 1.395 20 0 EDADMP C[N@@H+](CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)C1CC1 ZINC000264133152 443251985 /nfs/dbraw/zinc/25/19/85/443251985.db2.gz UOXAXXGRYBFWFX-GOSISDBHSA-N 2 1 331.460 1.395 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000269263071 443256675 /nfs/dbraw/zinc/25/66/75/443256675.db2.gz NYYKHCVDDFIXNE-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC000414648891 319335632 /nfs/dbraw/zinc/33/56/32/319335632.db2.gz BUEPYOKFJDKCMV-GFCCVEGCSA-N 2 1 341.358 1.295 20 0 EDADMP Cc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414679299 319340668 /nfs/dbraw/zinc/34/06/68/319340668.db2.gz ZFNZBSNKONOBDE-OAHLLOKOSA-N 2 1 332.448 1.063 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCN1Cc1ccccc1 ZINC000415127716 319346729 /nfs/dbraw/zinc/34/67/29/319346729.db2.gz SGNJQERQGOTBBN-MJGOQNOKSA-N 2 1 344.503 1.390 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000415197519 319349767 /nfs/dbraw/zinc/34/97/67/319349767.db2.gz VLDXCGOYLKLMHJ-INIZCTEOSA-N 2 1 346.475 1.581 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC[N@H+]1CCOC ZINC000415970745 319386176 /nfs/dbraw/zinc/38/61/76/319386176.db2.gz IIOPHBVJMAXBDO-QGZVFWFLSA-N 2 1 334.464 1.981 20 0 EDADMP C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272444796 443319341 /nfs/dbraw/zinc/31/93/41/443319341.db2.gz JACPNLNWEPFBNA-SXLOBPIMSA-N 2 1 331.504 1.943 20 0 EDADMP CCS(=O)(=O)NCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272509931 443345176 /nfs/dbraw/zinc/34/51/76/443345176.db2.gz OSIUIIOPBPVHIA-DOTOQJQBSA-N 2 1 339.505 1.426 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000272493347 443338692 /nfs/dbraw/zinc/33/86/92/443338692.db2.gz UIKYYYKEFBPZCN-CRAIPNDOSA-N 2 1 333.480 1.226 20 0 EDADMP C[N@@H+](CCNC(=O)NC1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000264915261 443475474 /nfs/dbraw/zinc/47/54/74/443475474.db2.gz XYSAVNBTWVFONQ-UHFFFAOYSA-N 2 1 331.464 1.439 20 0 EDADMP CC[NH+](CC)CCCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264953290 443489448 /nfs/dbraw/zinc/48/94/48/443489448.db2.gz UZOSDYLBGCVYHK-IBGZPJMESA-N 2 1 346.519 1.823 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000273037827 443525057 /nfs/dbraw/zinc/52/50/57/443525057.db2.gz ULJZCUOTGPMSJI-FQEVSTJZSA-N 2 1 344.503 1.554 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)NCCC[NH+]2CCc3ccccc3C2)CC1 ZINC000272114423 443530519 /nfs/dbraw/zinc/53/05/19/443530519.db2.gz RJMHZNRQYKYWSR-UHFFFAOYSA-N 2 1 342.487 1.996 20 0 EDADMP C[NH+]1CC=C(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000272114423 443530523 /nfs/dbraw/zinc/53/05/23/443530523.db2.gz RJMHZNRQYKYWSR-UHFFFAOYSA-N 2 1 342.487 1.996 20 0 EDADMP C[NH+]1CC=C(CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000272114423 443530526 /nfs/dbraw/zinc/53/05/26/443530526.db2.gz RJMHZNRQYKYWSR-UHFFFAOYSA-N 2 1 342.487 1.996 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423672014 319800231 /nfs/dbraw/zinc/80/02/31/319800231.db2.gz NQJFLCRZPPLKBC-YQQAZPJKSA-N 2 1 346.475 1.190 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000273098550 443538354 /nfs/dbraw/zinc/53/83/54/443538354.db2.gz PHCBCUOKPBKYND-HKUYNNGSSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H](CCO)[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000283252587 443576266 /nfs/dbraw/zinc/57/62/66/443576266.db2.gz VLOQUGYIEYHDPD-QGZVFWFLSA-N 2 1 333.476 1.424 20 0 EDADMP C[C@H](CCO)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000283252587 443576268 /nfs/dbraw/zinc/57/62/68/443576268.db2.gz VLOQUGYIEYHDPD-QGZVFWFLSA-N 2 1 333.476 1.424 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000265377197 443622011 /nfs/dbraw/zinc/62/20/11/443622011.db2.gz ZWLQZGYMSWYCFL-IBGZPJMESA-N 2 1 344.503 1.529 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265391925 443626102 /nfs/dbraw/zinc/62/61/02/443626102.db2.gz OLVPKPLFSXJRFE-CYBMUJFWSA-N 2 1 344.419 1.052 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000265369763 443618981 /nfs/dbraw/zinc/61/89/81/443618981.db2.gz HPGUVDFJPWUTLZ-UHFFFAOYSA-N 2 1 346.475 1.677 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)OC ZINC000439169409 320040971 /nfs/dbraw/zinc/04/09/71/320040971.db2.gz NEPRZWWBGFULGQ-HNNXBMFYSA-N 2 1 349.541 1.089 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)OC ZINC000439169409 320040973 /nfs/dbraw/zinc/04/09/73/320040973.db2.gz NEPRZWWBGFULGQ-HNNXBMFYSA-N 2 1 349.541 1.089 20 0 EDADMP C[C@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000441165430 320091261 /nfs/dbraw/zinc/09/12/61/320091261.db2.gz LVTYEINSQAXOQF-INIZCTEOSA-N 2 1 333.476 1.817 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000441165430 320091263 /nfs/dbraw/zinc/09/12/63/320091263.db2.gz LVTYEINSQAXOQF-INIZCTEOSA-N 2 1 333.476 1.817 20 0 EDADMP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000449748901 320204372 /nfs/dbraw/zinc/20/43/72/320204372.db2.gz CZIPLYGQTJMZLA-IRXDYDNUSA-N 2 1 331.460 1.534 20 0 EDADMP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000449748901 320204374 /nfs/dbraw/zinc/20/43/74/320204374.db2.gz CZIPLYGQTJMZLA-IRXDYDNUSA-N 2 1 331.460 1.534 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C3(C)C)cc2F)CC1 ZINC000449751710 320205100 /nfs/dbraw/zinc/20/51/00/320205100.db2.gz LQGUVVJGIJFTJA-QGZVFWFLSA-N 2 1 348.466 1.838 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454648620 320292981 /nfs/dbraw/zinc/29/29/81/320292981.db2.gz KGXDFFIWRSYMMV-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455838686 320304338 /nfs/dbraw/zinc/30/43/38/320304338.db2.gz CABBVWUXOGTKME-KBXCAEBGSA-N 2 1 346.475 1.766 20 0 EDADMP CC(C)(CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+]1CCCCC1 ZINC000457471035 320327156 /nfs/dbraw/zinc/32/71/56/320327156.db2.gz WBZUKWFCOPHUGY-INIZCTEOSA-N 2 1 340.512 1.397 20 0 EDADMP CC[C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[N@H+]1C[C@H](C)O ZINC000276459722 443714174 /nfs/dbraw/zinc/71/41/74/443714174.db2.gz AFVZENNHRLTWDD-HNAYVOBHSA-N 2 1 345.487 1.292 20 0 EDADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000283823388 443732790 /nfs/dbraw/zinc/73/27/90/443732790.db2.gz YUGQCEMRQQCCOC-SJORKVTESA-N 2 1 346.475 1.006 20 0 EDADMP CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000298398457 443761724 /nfs/dbraw/zinc/76/17/24/443761724.db2.gz GIEUXDVJOUEKRY-OAGGEKHMSA-N 2 1 333.476 1.910 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285055724 443839571 /nfs/dbraw/zinc/83/95/71/443839571.db2.gz BRBCXXQAAQMDKS-WMZOPIPTSA-N 2 1 347.459 1.172 20 0 EDADMP CCN1CCN(C[C@@H](C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298568027 443802254 /nfs/dbraw/zinc/80/22/54/443802254.db2.gz WTONDBDJCIAZPS-SFHVURJKSA-N 2 1 345.535 1.914 20 0 EDADMP CCn1cc(CC[N@@H+](C)C2CCN(CCn3cccn3)CC2)cn1 ZINC000285210869 443896136 /nfs/dbraw/zinc/89/61/36/443896136.db2.gz XCHRUFLCKVPXGP-UHFFFAOYSA-N 2 1 330.480 1.738 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CCCO ZINC000281590884 443953158 /nfs/dbraw/zinc/95/31/58/443953158.db2.gz FNYVPMGNDHHGKC-INIZCTEOSA-N 2 1 333.476 1.470 20 0 EDADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000299170027 443973127 /nfs/dbraw/zinc/97/31/27/443973127.db2.gz WTNCVDASQXNWER-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP COCCC[N@@H+](C)CC(=O)N1CCN(Cc2ccccc2C)CC1 ZINC000299254992 443997502 /nfs/dbraw/zinc/99/75/02/443997502.db2.gz DOSZYXQAUYKFSO-UHFFFAOYSA-N 2 1 333.476 1.608 20 0 EDADMP COCCCNC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000299386567 444034746 /nfs/dbraw/zinc/03/47/46/444034746.db2.gz RFDXDBYAWAOPOT-YRWFTTLQSA-N 2 1 347.503 1.885 20 0 EDADMP COCCCNC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000299386567 444034750 /nfs/dbraw/zinc/03/47/50/444034750.db2.gz RFDXDBYAWAOPOT-YRWFTTLQSA-N 2 1 347.503 1.885 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000285540684 444022529 /nfs/dbraw/zinc/02/25/29/444022529.db2.gz BVMSXQOGFSMESB-JKSUJKDBSA-N 2 1 348.491 1.080 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000299481049 444058708 /nfs/dbraw/zinc/05/87/08/444058708.db2.gz DLKNXSMTEASEIM-INIZCTEOSA-N 2 1 333.411 1.933 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000557113486 320999741 /nfs/dbraw/zinc/99/97/41/320999741.db2.gz IASMRUJVLABLFG-DOTOQJQBSA-N 2 1 340.512 1.504 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000557919057 321008877 /nfs/dbraw/zinc/00/88/77/321008877.db2.gz BERAHBNQSUPBIX-GOSISDBHSA-N 2 1 344.503 1.995 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000561223813 321037503 /nfs/dbraw/zinc/03/75/03/321037503.db2.gz GIBFGJNHNXMLGU-QZTJIDSGSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@@]1(C)C[NH3+] ZINC000564188868 321123496 /nfs/dbraw/zinc/12/34/96/321123496.db2.gz QZCCACDRFUAYKW-MUQADHOPSA-N 2 1 338.496 1.256 20 0 EDADMP CC[NH2+]CCCNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000564305950 321126619 /nfs/dbraw/zinc/12/66/19/321126619.db2.gz VKQXEJZVTCBJFM-MRXNPFEDSA-N 2 1 347.463 1.257 20 0 EDADMP CC[NH2+]CCCNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000564305950 321126621 /nfs/dbraw/zinc/12/66/21/321126621.db2.gz VKQXEJZVTCBJFM-MRXNPFEDSA-N 2 1 347.463 1.257 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000566057724 321212915 /nfs/dbraw/zinc/21/29/15/321212915.db2.gz MWEBLEFWXUFEQQ-RYQLBKOJSA-N 2 1 348.466 1.912 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccccc1 ZINC000567739557 321256746 /nfs/dbraw/zinc/25/67/46/321256746.db2.gz VIFDKTJGBPRIQS-HKUYNNGSSA-N 2 1 333.476 1.954 20 0 EDADMP CNC(=O)[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Cc1ccc(OC)c(F)c1 ZINC000567895588 321266828 /nfs/dbraw/zinc/26/68/28/321266828.db2.gz PKNXZXKJGNFVEX-JGGQBBKZSA-N 2 1 337.439 1.469 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000568231760 321283568 /nfs/dbraw/zinc/28/35/68/321283568.db2.gz JNQOWQKVBCDAQX-ATLSCFEFSA-N 2 1 330.476 1.947 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000568517216 321295340 /nfs/dbraw/zinc/29/53/40/321295340.db2.gz CQYKMUPREYHCHR-AEFFLSMTSA-N 2 1 345.491 1.098 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000568622455 321299250 /nfs/dbraw/zinc/29/92/50/321299250.db2.gz AQXKFVXCAXGNEU-SOLBZPMBSA-N 2 1 330.476 1.311 20 0 EDADMP CC(C)[C@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC[N@H+]1C ZINC000569320841 321323987 /nfs/dbraw/zinc/32/39/87/321323987.db2.gz HDWLBTTYQBFEOT-MRXNPFEDSA-N 2 1 332.448 1.973 20 0 EDADMP COC[C@]1(CNC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CCC[NH2+]1 ZINC000570942804 321365725 /nfs/dbraw/zinc/36/57/25/321365725.db2.gz HQFCXZWSTCLXST-YFHUEUNASA-N 2 1 338.496 1.127 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@@H](C)C[N@H+]1CCO ZINC000570943745 321365930 /nfs/dbraw/zinc/36/59/30/321365930.db2.gz SISDXXAJBDFXQN-VYDXJSESSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@@H](C)C[NH+]1CCO ZINC000570943745 321365931 /nfs/dbraw/zinc/36/59/31/321365931.db2.gz SISDXXAJBDFXQN-VYDXJSESSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@@H](C)C[NH+]1CCO ZINC000570943745 321365933 /nfs/dbraw/zinc/36/59/33/321365933.db2.gz SISDXXAJBDFXQN-VYDXJSESSA-N 2 1 338.496 1.100 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(C(N)=O)cs1 ZINC000289562366 444171984 /nfs/dbraw/zinc/17/19/84/444171984.db2.gz YVXHVCAFEHNFAC-HNNXBMFYSA-N 2 1 338.521 1.695 20 0 EDADMP COC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000289539602 444167329 /nfs/dbraw/zinc/16/73/29/444167329.db2.gz WQVDMOBCOOOSLV-UHFFFAOYSA-N 2 1 335.448 1.526 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(C(=O)OC)co1 ZINC000289373496 444122060 /nfs/dbraw/zinc/12/20/60/444122060.db2.gz BLSRCRWHLWHCNF-INIZCTEOSA-N 2 1 337.464 1.914 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000289562570 444172721 /nfs/dbraw/zinc/17/27/21/444172721.db2.gz CTTRRBBYNZCILB-ACJLOTCBSA-N 2 1 349.500 1.785 20 0 EDADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000290218230 444255507 /nfs/dbraw/zinc/25/55/07/444255507.db2.gz STAKVZDVXZWJMU-ZWKOTPCHSA-N 2 1 345.491 1.098 20 0 EDADMP CC(C)CC[C@@](C)(O)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000305067485 444256569 /nfs/dbraw/zinc/25/65/69/444256569.db2.gz NMJOXIXZMGBZGA-GOSISDBHSA-N 2 1 335.496 1.505 20 0 EDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000305136026 444260075 /nfs/dbraw/zinc/26/00/75/444260075.db2.gz OOSZKUNCIJFOHH-QAPCUYQASA-N 2 1 344.463 1.406 20 0 EDADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305166507 444262480 /nfs/dbraw/zinc/26/24/80/444262480.db2.gz YOSURPPREGSGAO-LBPRGKRZSA-N 2 1 345.285 1.471 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)C1CC1 ZINC000289980007 444226663 /nfs/dbraw/zinc/22/66/63/444226663.db2.gz XRKDBXPVSBBFED-NMLBUPMWSA-N 2 1 330.472 1.946 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)C1CC1 ZINC000289980007 444226665 /nfs/dbraw/zinc/22/66/65/444226665.db2.gz XRKDBXPVSBBFED-NMLBUPMWSA-N 2 1 330.472 1.946 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)C1CC1 ZINC000289980007 444226666 /nfs/dbraw/zinc/22/66/66/444226666.db2.gz XRKDBXPVSBBFED-NMLBUPMWSA-N 2 1 330.472 1.946 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)C1CC1 ZINC000289980007 444226668 /nfs/dbraw/zinc/22/66/68/444226668.db2.gz XRKDBXPVSBBFED-NMLBUPMWSA-N 2 1 330.472 1.946 20 0 EDADMP CO[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000290056831 444236378 /nfs/dbraw/zinc/23/63/78/444236378.db2.gz HNIAWXOBEKUMEK-UONOGXRCSA-N 2 1 345.365 1.370 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000303344959 444236809 /nfs/dbraw/zinc/23/68/09/444236809.db2.gz ZPEOVZQYIPJQMX-SJORKVTESA-N 2 1 339.524 1.658 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C[C@@H](C)O)C(C)C)CC1 ZINC000304010359 444239963 /nfs/dbraw/zinc/23/99/63/444239963.db2.gz UYGUYBBBZCYWRZ-GOSISDBHSA-N 2 1 347.503 1.730 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C[C@@H](C)O)C(C)C)CC1 ZINC000304010359 444239964 /nfs/dbraw/zinc/23/99/64/444239964.db2.gz UYGUYBBBZCYWRZ-GOSISDBHSA-N 2 1 347.503 1.730 20 0 EDADMP CN(CCC[N@@H+](C)Cc1cn(C)nc1-c1cccnc1)CC[NH+](C)C ZINC000290131462 444246349 /nfs/dbraw/zinc/24/63/49/444246349.db2.gz JQPYNXHORBOVSG-UHFFFAOYSA-N 2 1 344.507 1.797 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000310347769 444291581 /nfs/dbraw/zinc/29/15/81/444291581.db2.gz OLHJMDFEDGGVNP-IEBWSBKVSA-N 2 1 331.460 1.251 20 0 EDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000323562048 444343958 /nfs/dbraw/zinc/34/39/58/444343958.db2.gz QVFMUDXENFWFIC-GRDNDAEWSA-N 2 1 339.505 1.928 20 0 EDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000323562048 444343959 /nfs/dbraw/zinc/34/39/59/444343959.db2.gz QVFMUDXENFWFIC-GRDNDAEWSA-N 2 1 339.505 1.928 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[NH+]1CCC1 ZINC000337675610 444344995 /nfs/dbraw/zinc/34/49/95/444344995.db2.gz ZZVVSAWDFNYZBC-AEFFLSMTSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccco1 ZINC000297894041 444351010 /nfs/dbraw/zinc/35/10/10/444351010.db2.gz RVXDOQKGILWYPE-GJZGRUSLSA-N 2 1 338.452 1.028 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1ccco1 ZINC000297894041 444351014 /nfs/dbraw/zinc/35/10/14/444351014.db2.gz RVXDOQKGILWYPE-GJZGRUSLSA-N 2 1 338.452 1.028 20 0 EDADMP COCC[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000337947499 444468220 /nfs/dbraw/zinc/46/82/20/444468220.db2.gz HACTYTJOMDIBHM-INIZCTEOSA-N 2 1 335.496 1.769 20 0 EDADMP [NH3+]C[C@@H](NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000580053619 322002519 /nfs/dbraw/zinc/00/25/19/322002519.db2.gz YYSFWBYKUIQQQQ-FGTMMUONSA-N 2 1 328.460 1.497 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CCC(=O)NC(N)=O)cc2)C1 ZINC000580296641 322032545 /nfs/dbraw/zinc/03/25/45/322032545.db2.gz WGMIQPDNXBBQOK-AWEZNQCLSA-N 2 1 332.448 1.593 20 0 EDADMP C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000580300421 322032829 /nfs/dbraw/zinc/03/28/29/322032829.db2.gz KTQSHQPDJBIEHW-GUTXKFCHSA-N 2 1 344.450 1.936 20 0 EDADMP C[C@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)C[NH+]1CCOCC1 ZINC000581060396 322130157 /nfs/dbraw/zinc/13/01/57/322130157.db2.gz PUQMKUAIYAPZFI-CQSZACIVSA-N 2 1 332.448 1.422 20 0 EDADMP COCCNC(=O)C1([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000581601889 322197620 /nfs/dbraw/zinc/19/76/20/322197620.db2.gz TUVNYQJTFGGQPV-YJBOKZPZSA-N 2 1 345.443 1.127 20 0 EDADMP O=C(N[C@H]1CCc2[nH]cnc2C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000332878568 444583459 /nfs/dbraw/zinc/58/34/59/444583459.db2.gz BDPWJZUJIQKHMW-LSDHHAIUSA-N 2 1 331.464 1.927 20 0 EDADMP C[N@H+]1CCCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000342162097 444541784 /nfs/dbraw/zinc/54/17/84/444541784.db2.gz MLTDFPHINNCLDW-UHFFFAOYSA-N 2 1 344.503 1.753 20 0 EDADMP C[C@H](CNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)[N@@H+](C)C1CC1 ZINC000333439097 444671078 /nfs/dbraw/zinc/67/10/78/444671078.db2.gz VUHHRMOTYVCNNO-KBRIMQKVSA-N 2 1 338.496 1.397 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000333551899 444679844 /nfs/dbraw/zinc/67/98/44/444679844.db2.gz KIBIVPRXXYOPQH-SJORKVTESA-N 2 1 338.496 1.461 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000333794816 444698031 /nfs/dbraw/zinc/69/80/31/444698031.db2.gz NASDNEPHCHUFAB-XUWVNRHRSA-N 2 1 326.485 1.031 20 0 EDADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028016 444737818 /nfs/dbraw/zinc/73/78/18/444737818.db2.gz LPRKJXATLRGDKC-MSOLQXFVSA-N 2 1 340.556 1.981 20 0 EDADMP Cc1ccc2nc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cn2c1 ZINC000341261376 444753015 /nfs/dbraw/zinc/75/30/15/444753015.db2.gz PGRRBNMRBSIIFW-KRWDZBQOSA-N 2 1 345.491 1.825 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338634880 444784422 /nfs/dbraw/zinc/78/44/22/444784422.db2.gz APPDTLWWOVTJOW-CQSZACIVSA-N 2 1 336.505 1.908 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338634880 444784428 /nfs/dbraw/zinc/78/44/28/444784428.db2.gz APPDTLWWOVTJOW-CQSZACIVSA-N 2 1 336.505 1.908 20 0 EDADMP CN(C)c1ccccc1C[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000344076308 444768576 /nfs/dbraw/zinc/76/85/76/444768576.db2.gz TVMMAMFBSJEGPU-UHFFFAOYSA-N 2 1 344.503 1.927 20 0 EDADMP CN(C)c1ccccc1C[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000344076308 444768580 /nfs/dbraw/zinc/76/85/80/444768580.db2.gz TVMMAMFBSJEGPU-UHFFFAOYSA-N 2 1 344.503 1.927 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000336855309 444803993 /nfs/dbraw/zinc/80/39/93/444803993.db2.gz WFDCOTIFQBXCCB-INIZCTEOSA-N 2 1 327.494 1.742 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000336855309 444803997 /nfs/dbraw/zinc/80/39/97/444803997.db2.gz WFDCOTIFQBXCCB-INIZCTEOSA-N 2 1 327.494 1.742 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NC[C@H](C)[NH+](CC)CC)C[C@H]1CC ZINC000342664708 444804102 /nfs/dbraw/zinc/80/41/02/444804102.db2.gz QHYAVBJWGSWCQJ-DLBZAZTESA-N 2 1 342.528 1.859 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000330003148 444807056 /nfs/dbraw/zinc/80/70/56/444807056.db2.gz BMEFOUZVJWBHBA-SMDDNHRTSA-N 2 1 330.436 1.245 20 0 EDADMP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000336877714 444823740 /nfs/dbraw/zinc/82/37/40/444823740.db2.gz UNXSDUMZEGPJIN-UHFFFAOYSA-N 2 1 331.460 1.944 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000336878484 444824080 /nfs/dbraw/zinc/82/40/80/444824080.db2.gz FQAVWYNPXYKQHH-YYAJDYIMSA-N 2 1 337.508 1.900 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000341524681 444875636 /nfs/dbraw/zinc/87/56/36/444875636.db2.gz AXZRUCPNNDIECH-IYBDPMFKSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000341524681 444875639 /nfs/dbraw/zinc/87/56/39/444875639.db2.gz AXZRUCPNNDIECH-IYBDPMFKSA-N 2 1 326.485 1.223 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)[C@H]3C)CC2)c1 ZINC000344302116 444888743 /nfs/dbraw/zinc/88/87/43/444888743.db2.gz UNFCWPBNPMABQB-GOEBONIOSA-N 2 1 347.463 1.405 20 0 EDADMP CC(C)COC[C@@H](O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338939490 444944916 /nfs/dbraw/zinc/94/49/16/444944916.db2.gz CNUIWWIEOGVOES-SCTDSRPQSA-N 2 1 342.524 1.841 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000341699469 444955392 /nfs/dbraw/zinc/95/53/92/444955392.db2.gz MZJAFJKJDCAGNJ-QGZVFWFLSA-N 2 1 346.519 1.894 20 0 EDADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343042903 445024469 /nfs/dbraw/zinc/02/44/69/445024469.db2.gz ZHBQNNWPHMWNKC-JKSUJKDBSA-N 2 1 348.516 1.391 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1)C(C)C ZINC000343143994 445093841 /nfs/dbraw/zinc/09/38/41/445093841.db2.gz UHDDQMMNGBJKAV-HZPDHXFCSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CCNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC000343143994 445093846 /nfs/dbraw/zinc/09/38/46/445093846.db2.gz UHDDQMMNGBJKAV-HZPDHXFCSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CCNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000343143994 445093849 /nfs/dbraw/zinc/09/38/49/445093849.db2.gz UHDDQMMNGBJKAV-HZPDHXFCSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000343251232 445161622 /nfs/dbraw/zinc/16/16/22/445161622.db2.gz MDHCTNAXKAOSIL-GUDVDZBRSA-N 2 1 338.540 1.151 20 0 EDADMP CC(=O)[C@](C)(O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330807025 445148916 /nfs/dbraw/zinc/14/89/16/445148916.db2.gz CMLJDNBQCPTTEK-RVKKMQEKSA-N 2 1 326.481 1.538 20 0 EDADMP C[C@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+](C)Cc1ccccc1 ZINC000346016351 445204308 /nfs/dbraw/zinc/20/43/08/445204308.db2.gz SUPFTWCEAGBGKL-OAHLLOKOSA-N 2 1 329.448 1.904 20 0 EDADMP C[C@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+](C)Cc1ccccc1 ZINC000346016351 445204311 /nfs/dbraw/zinc/20/43/11/445204311.db2.gz SUPFTWCEAGBGKL-OAHLLOKOSA-N 2 1 329.448 1.904 20 0 EDADMP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)C[C@H](O)C(F)(F)F)CCCN1C ZINC000346932170 445228320 /nfs/dbraw/zinc/22/83/20/445228320.db2.gz PXDOEOBYRMTDLG-FPMFFAJLSA-N 2 1 334.386 1.658 20 0 EDADMP CN(C[C@H](O)C(F)(F)F)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346932170 445228321 /nfs/dbraw/zinc/22/83/21/445228321.db2.gz PXDOEOBYRMTDLG-FPMFFAJLSA-N 2 1 334.386 1.658 20 0 EDADMP CN(C[C@H](O)C(F)(F)F)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346932170 445228322 /nfs/dbraw/zinc/22/83/22/445228322.db2.gz PXDOEOBYRMTDLG-FPMFFAJLSA-N 2 1 334.386 1.658 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348099735 445267731 /nfs/dbraw/zinc/26/77/31/445267731.db2.gz CRKWBWZJZQVQTM-LSDHHAIUSA-N 2 1 337.430 1.960 20 0 EDADMP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCC2)cc1 ZINC000348365703 445268489 /nfs/dbraw/zinc/26/84/89/445268489.db2.gz OOGCQENQOVNOQV-UHFFFAOYSA-N 2 1 332.448 1.289 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)[NH+](C)C1 ZINC000347563790 445242401 /nfs/dbraw/zinc/24/24/01/445242401.db2.gz NTPOPGRISFMLDS-YESZJQIVSA-N 2 1 340.512 1.325 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)[N@H+](C)C1 ZINC000347563790 445242402 /nfs/dbraw/zinc/24/24/02/445242402.db2.gz NTPOPGRISFMLDS-YESZJQIVSA-N 2 1 340.512 1.325 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)[N@@H+](C)C1 ZINC000347563790 445242404 /nfs/dbraw/zinc/24/24/04/445242404.db2.gz NTPOPGRISFMLDS-YESZJQIVSA-N 2 1 340.512 1.325 20 0 EDADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000351628325 445247584 /nfs/dbraw/zinc/24/75/84/445247584.db2.gz JHYCUDJREQVFBD-WDSOQIARSA-N 2 1 332.492 1.461 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000351628325 445247585 /nfs/dbraw/zinc/24/75/85/445247585.db2.gz JHYCUDJREQVFBD-WDSOQIARSA-N 2 1 332.492 1.461 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000351628325 445247589 /nfs/dbraw/zinc/24/75/89/445247589.db2.gz JHYCUDJREQVFBD-WDSOQIARSA-N 2 1 332.492 1.461 20 0 EDADMP Cc1cnc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)nc1N[C@@H]1CCC[NH+](C)[C@@H]1C ZINC000343600357 445258282 /nfs/dbraw/zinc/25/82/82/445258282.db2.gz KCICFQZEFITBHL-QBPKDAKJSA-N 2 1 346.523 2.574 20 0 EDADMP Cc1cnc(N[C@@H]2CCC[NH+](C)[C@@H]2C)nc1N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343600357 445258283 /nfs/dbraw/zinc/25/82/83/445258283.db2.gz KCICFQZEFITBHL-QBPKDAKJSA-N 2 1 346.523 2.574 20 0 EDADMP Cc1cnc(N[C@@H]2CCC[NH+](C)[C@@H]2C)nc1N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343600357 445258288 /nfs/dbraw/zinc/25/82/88/445258288.db2.gz KCICFQZEFITBHL-QBPKDAKJSA-N 2 1 346.523 2.574 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343602093 445258888 /nfs/dbraw/zinc/25/88/88/445258888.db2.gz QUCBAXOCNGWREG-IEBWSBKVSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343602093 445258893 /nfs/dbraw/zinc/25/88/93/445258893.db2.gz QUCBAXOCNGWREG-IEBWSBKVSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343602093 445258898 /nfs/dbraw/zinc/25/88/98/445258898.db2.gz QUCBAXOCNGWREG-IEBWSBKVSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343602093 445258904 /nfs/dbraw/zinc/25/89/04/445258904.db2.gz QUCBAXOCNGWREG-IEBWSBKVSA-N 2 1 342.487 1.109 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000348376126 445270228 /nfs/dbraw/zinc/27/02/28/445270228.db2.gz JHZWHRKMDIEGSZ-JKSUJKDBSA-N 2 1 346.537 1.416 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@H+](C)CCCCCO)cc[nH+]1 ZINC000348161518 445294591 /nfs/dbraw/zinc/29/45/91/445294591.db2.gz WTVWOCZQAJBXSD-LSDHHAIUSA-N 2 1 339.459 1.554 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@@H+](C)CCCCCO)cc[nH+]1 ZINC000348161518 445294594 /nfs/dbraw/zinc/29/45/94/445294594.db2.gz WTVWOCZQAJBXSD-LSDHHAIUSA-N 2 1 339.459 1.554 20 0 EDADMP Cn1c2ccc(C[N@@H+]3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc2oc1=O ZINC000351807865 445328670 /nfs/dbraw/zinc/32/86/70/445328670.db2.gz ISPDVAONAYPDMX-PVAVHDDUSA-N 2 1 345.443 1.815 20 0 EDADMP Cn1c2ccc(C[N@H+]3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc2oc1=O ZINC000351807865 445328672 /nfs/dbraw/zinc/32/86/72/445328672.db2.gz ISPDVAONAYPDMX-PVAVHDDUSA-N 2 1 345.443 1.815 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000348645549 445343694 /nfs/dbraw/zinc/34/36/94/445343694.db2.gz OFAHGRPOGUDLDX-RTBURBONSA-N 2 1 333.476 1.410 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000351856816 445344456 /nfs/dbraw/zinc/34/44/56/445344456.db2.gz WPZILJWJVVPJFW-DZKIICNBSA-N 2 1 347.459 1.174 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000351856816 445344458 /nfs/dbraw/zinc/34/44/58/445344458.db2.gz WPZILJWJVVPJFW-DZKIICNBSA-N 2 1 347.459 1.174 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351859146 445345388 /nfs/dbraw/zinc/34/53/88/445345388.db2.gz FQABABYACXFNJJ-CVEARBPZSA-N 2 1 348.466 1.534 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)CC2 ZINC000351862129 445346671 /nfs/dbraw/zinc/34/66/71/445346671.db2.gz NKKKIMSORRSLJK-UKRRQHHQSA-N 2 1 347.459 1.258 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)CC2 ZINC000351862129 445346674 /nfs/dbraw/zinc/34/66/74/445346674.db2.gz NKKKIMSORRSLJK-UKRRQHHQSA-N 2 1 347.459 1.258 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000351862900 445346743 /nfs/dbraw/zinc/34/67/43/445346743.db2.gz RRHBGEZMQLCXFL-ZIAGYGMSSA-N 2 1 339.867 1.846 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000351862900 445346745 /nfs/dbraw/zinc/34/67/45/445346745.db2.gz RRHBGEZMQLCXFL-ZIAGYGMSSA-N 2 1 339.867 1.846 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C[C@@H]1C ZINC000351883061 445354337 /nfs/dbraw/zinc/35/43/37/445354337.db2.gz MZEVPURHXFTGDG-NCOADZHNSA-N 2 1 340.512 1.346 20 0 EDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000362483901 445406308 /nfs/dbraw/zinc/40/63/08/445406308.db2.gz FHHYWBOODCKTQZ-QGZVFWFLSA-N 2 1 336.524 1.489 20 0 EDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000362483901 445406311 /nfs/dbraw/zinc/40/63/11/445406311.db2.gz FHHYWBOODCKTQZ-QGZVFWFLSA-N 2 1 336.524 1.489 20 0 EDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000362483901 445406315 /nfs/dbraw/zinc/40/63/15/445406315.db2.gz FHHYWBOODCKTQZ-QGZVFWFLSA-N 2 1 336.524 1.489 20 0 EDADMP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000357093967 445424819 /nfs/dbraw/zinc/42/48/19/445424819.db2.gz XEKKUUJEZKMXNJ-QGZVFWFLSA-N 2 1 332.492 1.655 20 0 EDADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000357093967 445424823 /nfs/dbraw/zinc/42/48/23/445424823.db2.gz XEKKUUJEZKMXNJ-QGZVFWFLSA-N 2 1 332.492 1.655 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)C[NH+](C)C ZINC000355730042 445475871 /nfs/dbraw/zinc/47/58/71/445475871.db2.gz HBICIYYRSXDVMU-FUHWJXTLSA-N 2 1 332.492 1.289 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000362554420 445437061 /nfs/dbraw/zinc/43/70/61/445437061.db2.gz XALDKGQOWRGYPZ-HNNXBMFYSA-N 2 1 335.496 1.927 20 0 EDADMP C[N@@H+](CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)C1CCCCC1 ZINC000362565077 445442790 /nfs/dbraw/zinc/44/27/90/445442790.db2.gz QTBAKURLHDRODY-CQSZACIVSA-N 2 1 333.480 1.871 20 0 EDADMP CN(c1ccccc1C[N@H+](C)[C@@H]1CCNC1=O)C1CC[NH+](C)CC1 ZINC000355180438 445449790 /nfs/dbraw/zinc/44/97/90/445449790.db2.gz BJEALOHFFWNYPC-GOSISDBHSA-N 2 1 330.476 1.537 20 0 EDADMP CN(c1ccccc1C[N@@H+](C)[C@@H]1CCNC1=O)C1CC[NH+](C)CC1 ZINC000355180438 445449793 /nfs/dbraw/zinc/44/97/93/445449793.db2.gz BJEALOHFFWNYPC-GOSISDBHSA-N 2 1 330.476 1.537 20 0 EDADMP CCN1CCO[C@H](C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000352039407 445454597 /nfs/dbraw/zinc/45/45/97/445454597.db2.gz FYRRTHYZSMFVEH-NXHRZFHOSA-N 2 1 331.460 1.659 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000352039407 445454599 /nfs/dbraw/zinc/45/45/99/445454599.db2.gz FYRRTHYZSMFVEH-NXHRZFHOSA-N 2 1 331.460 1.659 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000352039407 445454605 /nfs/dbraw/zinc/45/46/05/445454605.db2.gz FYRRTHYZSMFVEH-NXHRZFHOSA-N 2 1 331.460 1.659 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000352039407 445454614 /nfs/dbraw/zinc/45/46/14/445454614.db2.gz FYRRTHYZSMFVEH-NXHRZFHOSA-N 2 1 331.460 1.659 20 0 EDADMP CCC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000362704499 445509502 /nfs/dbraw/zinc/50/95/02/445509502.db2.gz JPPIPASNCIDROF-DJIMGWMZSA-N 2 1 335.496 1.650 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@]23C[NH2+]C[C@H]2CCCC3)CC1 ZINC000357254684 445509910 /nfs/dbraw/zinc/50/99/10/445509910.db2.gz YTXPMROMBBIRDK-LMMKCTJWSA-N 2 1 336.524 1.156 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000352208400 445514191 /nfs/dbraw/zinc/51/41/91/445514191.db2.gz NGOHWHSKOCREEV-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000357304344 445537002 /nfs/dbraw/zinc/53/70/02/445537002.db2.gz HYEYLZXOAILZSD-ROUUACIJSA-N 2 1 349.475 1.523 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CCCC2)CC1 ZINC000362760409 445536011 /nfs/dbraw/zinc/53/60/11/445536011.db2.gz QXBNFLYNBFICAH-DOTOQJQBSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cn2c(n1)[C@@H](CNC(=O)NCCC[NH+]1CCOCC1)CCC2 ZINC000362788399 445550238 /nfs/dbraw/zinc/55/02/38/445550238.db2.gz PYHZCSYEMPISFS-OAHLLOKOSA-N 2 1 335.452 1.090 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC000357599548 445569834 /nfs/dbraw/zinc/56/98/34/445569834.db2.gz NERWBAFVMCMPNY-FUHWJXTLSA-N 2 1 337.508 1.866 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000363001419 445645499 /nfs/dbraw/zinc/64/54/99/445645499.db2.gz NFKSLUIWWOHEEW-WMZOPIPTSA-N 2 1 339.524 1.781 20 0 EDADMP COCC[NH+](C)CCCC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000363001419 445645504 /nfs/dbraw/zinc/64/55/04/445645504.db2.gz NFKSLUIWWOHEEW-WMZOPIPTSA-N 2 1 339.524 1.781 20 0 EDADMP COCC[NH+](C)CCCC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000363001419 445645507 /nfs/dbraw/zinc/64/55/07/445645507.db2.gz NFKSLUIWWOHEEW-WMZOPIPTSA-N 2 1 339.524 1.781 20 0 EDADMP CC[NH+](CC)CCSCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363053088 445661834 /nfs/dbraw/zinc/66/18/34/445661834.db2.gz CXDUTXXFWKLQRO-LSDHHAIUSA-N 2 1 329.510 1.041 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000363200354 445718968 /nfs/dbraw/zinc/71/89/68/445718968.db2.gz JDZVEIMVRIHVKW-GOSISDBHSA-N 2 1 345.491 1.482 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000353629324 445682576 /nfs/dbraw/zinc/68/25/76/445682576.db2.gz JHOALIIMGBRQLZ-SQNIBIBYSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000353629324 445682578 /nfs/dbraw/zinc/68/25/78/445682578.db2.gz JHOALIIMGBRQLZ-SQNIBIBYSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000353629324 445682580 /nfs/dbraw/zinc/68/25/80/445682580.db2.gz JHOALIIMGBRQLZ-SQNIBIBYSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000353629324 445682582 /nfs/dbraw/zinc/68/25/82/445682582.db2.gz JHOALIIMGBRQLZ-SQNIBIBYSA-N 2 1 337.508 1.820 20 0 EDADMP CC[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)OC ZINC000360594126 445716134 /nfs/dbraw/zinc/71/61/34/445716134.db2.gz CGQODLZVKCZSNB-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP COc1ccccc1CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353588913 445668842 /nfs/dbraw/zinc/66/88/42/445668842.db2.gz OEPWJOMGRIRACT-KURKYZTESA-N 2 1 345.487 1.816 20 0 EDADMP C[C@H](CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000358722429 445742131 /nfs/dbraw/zinc/74/21/31/445742131.db2.gz ODLUVBQVMGVOJD-VQIMIIECSA-N 2 1 348.491 1.263 20 0 EDADMP COC(=O)c1coc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000350072201 445761847 /nfs/dbraw/zinc/76/18/47/445761847.db2.gz IIDPGDAHUCKLJI-IBGZPJMESA-N 2 1 344.411 1.793 20 0 EDADMP CCCN1CC[NH+](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000363397076 445787701 /nfs/dbraw/zinc/78/77/01/445787701.db2.gz FBXZUIPUXYUZBY-GOSISDBHSA-N 2 1 338.540 1.591 20 0 EDADMP COCC[C@H]1COCCN1CC(C)C[N@H+]1CCOC[C@@H]1CCOC ZINC000361526551 445803662 /nfs/dbraw/zinc/80/36/62/445803662.db2.gz BEVIKKYUCJUUQJ-ROUUACIJSA-N 2 1 344.496 1.097 20 0 EDADMP C[C@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1=CC[NH+](C)CC1 ZINC000359012500 445886889 /nfs/dbraw/zinc/88/68/89/445886889.db2.gz XDPONMFYLPOHST-INIZCTEOSA-N 2 1 339.528 1.162 20 0 EDADMP C[C@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)C1=CC[N@H+](C)CC1 ZINC000359012500 445886890 /nfs/dbraw/zinc/88/68/90/445886890.db2.gz XDPONMFYLPOHST-INIZCTEOSA-N 2 1 339.528 1.162 20 0 EDADMP C[C@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)C1=CC[N@@H+](C)CC1 ZINC000359012500 445886893 /nfs/dbraw/zinc/88/68/93/445886893.db2.gz XDPONMFYLPOHST-INIZCTEOSA-N 2 1 339.528 1.162 20 0 EDADMP C[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000359012500 445886895 /nfs/dbraw/zinc/88/68/95/445886895.db2.gz XDPONMFYLPOHST-INIZCTEOSA-N 2 1 339.528 1.162 20 0 EDADMP C[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C1=CC[N@@H+](C)CC1 ZINC000359012500 445886898 /nfs/dbraw/zinc/88/68/98/445886898.db2.gz XDPONMFYLPOHST-INIZCTEOSA-N 2 1 339.528 1.162 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H]1c1ccc(F)cc1 ZINC000364099822 445895391 /nfs/dbraw/zinc/89/53/91/445895391.db2.gz ITOUCZFPMBBXNW-WBVHZDCISA-N 2 1 343.406 1.370 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H]1c1ccc(F)cc1 ZINC000364099822 445895393 /nfs/dbraw/zinc/89/53/93/445895393.db2.gz ITOUCZFPMBBXNW-WBVHZDCISA-N 2 1 343.406 1.370 20 0 EDADMP CCS(=O)(=O)CCCCC[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000365065314 446002103 /nfs/dbraw/zinc/00/21/03/446002103.db2.gz FBWVZFPARVTERO-OAHLLOKOSA-N 2 1 327.494 1.982 20 0 EDADMP CCS(=O)(=O)CCCCC[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000365065314 446002104 /nfs/dbraw/zinc/00/21/04/446002104.db2.gz FBWVZFPARVTERO-OAHLLOKOSA-N 2 1 327.494 1.982 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000583801517 326141728 /nfs/dbraw/zinc/14/17/28/326141728.db2.gz OGNXLAIKIPLRAE-BHIYHBOVSA-N 2 1 344.503 1.930 20 0 EDADMP C[N@H+]1CCCC[C@H]1CCN1CCCN(c2ncccc2C(N)=O)CC1 ZINC000366177130 446063286 /nfs/dbraw/zinc/06/32/86/446063286.db2.gz DJVQVRFZCVBDEC-INIZCTEOSA-N 2 1 345.491 1.567 20 0 EDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000366177130 446063303 /nfs/dbraw/zinc/06/33/03/446063303.db2.gz DJVQVRFZCVBDEC-INIZCTEOSA-N 2 1 345.491 1.567 20 0 EDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000366177130 446063307 /nfs/dbraw/zinc/06/33/07/446063307.db2.gz DJVQVRFZCVBDEC-INIZCTEOSA-N 2 1 345.491 1.567 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000584221522 326222174 /nfs/dbraw/zinc/22/21/74/326222174.db2.gz PYVKSIXYYUNKLI-SOLBZPMBSA-N 2 1 336.480 1.025 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)[C@H](C)C1 ZINC000361924447 446074925 /nfs/dbraw/zinc/07/49/25/446074925.db2.gz NIXKNYYBMLPYIQ-ZBFHGGJFSA-N 2 1 334.464 1.407 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)[C@H](C)C1 ZINC000361924447 446074928 /nfs/dbraw/zinc/07/49/28/446074928.db2.gz NIXKNYYBMLPYIQ-ZBFHGGJFSA-N 2 1 334.464 1.407 20 0 EDADMP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351474121 446074993 /nfs/dbraw/zinc/07/49/93/446074993.db2.gz FIYIOMJEQGOIBP-RYQLBKOJSA-N 2 1 331.460 1.583 20 0 EDADMP CN(CCCOc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351474121 446074996 /nfs/dbraw/zinc/07/49/96/446074996.db2.gz FIYIOMJEQGOIBP-RYQLBKOJSA-N 2 1 331.460 1.583 20 0 EDADMP C[C@H](OCCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000351473793 446075402 /nfs/dbraw/zinc/07/54/02/446075402.db2.gz FBIWCXWDEFKDQT-WNHJNPCNSA-N 2 1 345.487 1.940 20 0 EDADMP C[C@H](OCCCNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000351473793 446075408 /nfs/dbraw/zinc/07/54/08/446075408.db2.gz FBIWCXWDEFKDQT-WNHJNPCNSA-N 2 1 345.487 1.940 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2[C@H]2CCC[N@H+]2C)CC1 ZINC000369329757 446077914 /nfs/dbraw/zinc/07/79/14/446077914.db2.gz NPAANBNJBMDYBE-MSOLQXFVSA-N 2 1 336.524 1.534 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)C[C@H]12 ZINC000351482418 446082443 /nfs/dbraw/zinc/08/24/43/446082443.db2.gz ZOJZNYYFXZBVJD-SPUZQDLCSA-N 2 1 347.434 1.395 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)C[C@H]12 ZINC000351482418 446082447 /nfs/dbraw/zinc/08/24/47/446082447.db2.gz ZOJZNYYFXZBVJD-SPUZQDLCSA-N 2 1 347.434 1.395 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351486785 446087559 /nfs/dbraw/zinc/08/75/59/446087559.db2.gz AZTLWYYHCQLRSA-CUINURIISA-N 2 1 331.460 1.930 20 0 EDADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351486785 446087567 /nfs/dbraw/zinc/08/75/67/446087567.db2.gz AZTLWYYHCQLRSA-CUINURIISA-N 2 1 331.460 1.930 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351500239 446106161 /nfs/dbraw/zinc/10/61/61/446106161.db2.gz WWVJQUVULKTSMM-JFRXWTBNSA-N 2 1 342.487 1.393 20 0 EDADMP CCCOc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351502051 446107700 /nfs/dbraw/zinc/10/77/00/446107700.db2.gz YXMJAMAFAIAQDQ-JQHSSLGASA-N 2 1 331.460 1.761 20 0 EDADMP CCCOc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351502051 446107708 /nfs/dbraw/zinc/10/77/08/446107708.db2.gz YXMJAMAFAIAQDQ-JQHSSLGASA-N 2 1 331.460 1.761 20 0 EDADMP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000373235664 446112844 /nfs/dbraw/zinc/11/28/44/446112844.db2.gz UURNWSVPDSIXQO-YYIAUSFCSA-N 2 1 339.480 1.696 20 0 EDADMP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000373235664 446112849 /nfs/dbraw/zinc/11/28/49/446112849.db2.gz UURNWSVPDSIXQO-YYIAUSFCSA-N 2 1 339.480 1.696 20 0 EDADMP O=C(NCC[NH+]1CCC1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000354341429 446126171 /nfs/dbraw/zinc/12/61/71/446126171.db2.gz UGOUXXVXTQSNMD-MRXNPFEDSA-N 2 1 337.414 1.966 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000359346617 446165793 /nfs/dbraw/zinc/16/57/93/446165793.db2.gz CLCXLASNQAESRV-NVXWUHKLSA-N 2 1 334.439 1.964 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000365406007 446193076 /nfs/dbraw/zinc/19/30/76/446193076.db2.gz MQQCQVOYKHBLKU-GOSISDBHSA-N 2 1 346.475 1.235 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000365406007 446193081 /nfs/dbraw/zinc/19/30/81/446193081.db2.gz MQQCQVOYKHBLKU-GOSISDBHSA-N 2 1 346.475 1.235 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[C@@H]3[NH3+])[C@H](C)C2)s1 ZINC000366324216 446150763 /nfs/dbraw/zinc/15/07/63/446150763.db2.gz NMCXJDGMSABVRW-FWYOQMDTSA-N 2 1 336.505 1.906 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000366326075 446152453 /nfs/dbraw/zinc/15/24/53/446152453.db2.gz QPJAQWXMFAXAHA-JSGCOSHPSA-N 2 1 345.472 1.637 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000366326075 446152460 /nfs/dbraw/zinc/15/24/60/446152460.db2.gz QPJAQWXMFAXAHA-JSGCOSHPSA-N 2 1 345.472 1.637 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000359393021 446196029 /nfs/dbraw/zinc/19/60/29/446196029.db2.gz REAVAJWLOMEJLO-QGZVFWFLSA-N 2 1 328.460 1.751 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000359393021 446196034 /nfs/dbraw/zinc/19/60/34/446196034.db2.gz REAVAJWLOMEJLO-QGZVFWFLSA-N 2 1 328.460 1.751 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351618963 446213563 /nfs/dbraw/zinc/21/35/63/446213563.db2.gz DMBUMDDXFASJJL-HPFXQQBRSA-N 2 1 337.508 1.721 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351618963 446213569 /nfs/dbraw/zinc/21/35/69/446213569.db2.gz DMBUMDDXFASJJL-HPFXQQBRSA-N 2 1 337.508 1.721 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351618963 446213574 /nfs/dbraw/zinc/21/35/74/446213574.db2.gz DMBUMDDXFASJJL-HPFXQQBRSA-N 2 1 337.508 1.721 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351618963 446213577 /nfs/dbraw/zinc/21/35/77/446213577.db2.gz DMBUMDDXFASJJL-HPFXQQBRSA-N 2 1 337.508 1.721 20 0 EDADMP CC[NH+](CCNC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000370297760 446219829 /nfs/dbraw/zinc/21/98/29/446219829.db2.gz HDCAUGGPADITCC-IRXDYDNUSA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+](CCNC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000370297760 446219831 /nfs/dbraw/zinc/21/98/31/446219831.db2.gz HDCAUGGPADITCC-IRXDYDNUSA-N 2 1 338.496 1.101 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000366479261 446231102 /nfs/dbraw/zinc/23/11/02/446231102.db2.gz GJPMKIXGYNBLNV-CRAIPNDOSA-N 2 1 335.492 1.763 20 0 EDADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000366479261 446231103 /nfs/dbraw/zinc/23/11/03/446231103.db2.gz GJPMKIXGYNBLNV-CRAIPNDOSA-N 2 1 335.492 1.763 20 0 EDADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000366479261 446231106 /nfs/dbraw/zinc/23/11/06/446231106.db2.gz GJPMKIXGYNBLNV-CRAIPNDOSA-N 2 1 335.492 1.763 20 0 EDADMP Cc1cccc(OCCCNC(=O)CN2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000366477915 446231565 /nfs/dbraw/zinc/23/15/65/446231565.db2.gz BRMLCSOAUUBVNO-FQEVSTJZSA-N 2 1 345.487 1.908 20 0 EDADMP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000370376801 446254140 /nfs/dbraw/zinc/25/41/40/446254140.db2.gz HCLYOWXHWMHOQO-IRXDYDNUSA-N 2 1 339.480 1.696 20 0 EDADMP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000370376801 446254144 /nfs/dbraw/zinc/25/41/44/446254144.db2.gz HCLYOWXHWMHOQO-IRXDYDNUSA-N 2 1 339.480 1.696 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000373547432 446256847 /nfs/dbraw/zinc/25/68/47/446256847.db2.gz UTJINXJCFHIFFN-ICSRJNTNSA-N 2 1 347.503 1.668 20 0 EDADMP Cc1cccc(OC[C@@H](O)CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000366665051 446300632 /nfs/dbraw/zinc/30/06/32/446300632.db2.gz XGBAAZNNEIGUAF-OALUTQOASA-N 2 1 347.503 1.447 20 0 EDADMP Cc1cccc(OC[C@@H](O)C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000366665051 446300638 /nfs/dbraw/zinc/30/06/38/446300638.db2.gz XGBAAZNNEIGUAF-OALUTQOASA-N 2 1 347.503 1.447 20 0 EDADMP CN(C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]CC1 ZINC000417275121 446337425 /nfs/dbraw/zinc/33/74/25/446337425.db2.gz VHHOPOWGIVYQNB-OAHLLOKOSA-N 2 1 336.505 1.890 20 0 EDADMP CN(C(=O)NCC[N@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]CC1 ZINC000417275121 446337430 /nfs/dbraw/zinc/33/74/30/446337430.db2.gz VHHOPOWGIVYQNB-OAHLLOKOSA-N 2 1 336.505 1.890 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000417503083 446356513 /nfs/dbraw/zinc/35/65/13/446356513.db2.gz LLWXBEZEMLUKCR-AOIWGVFYSA-N 2 1 344.503 1.943 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000417668598 446369646 /nfs/dbraw/zinc/36/96/46/446369646.db2.gz JTOZXSDMIXTVNF-OAGGEKHMSA-N 2 1 328.501 1.421 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000417913596 446384313 /nfs/dbraw/zinc/38/43/13/446384313.db2.gz QTYGXDNBMBYSJY-DOTOQJQBSA-N 2 1 328.476 1.697 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000417913596 446384319 /nfs/dbraw/zinc/38/43/19/446384319.db2.gz QTYGXDNBMBYSJY-DOTOQJQBSA-N 2 1 328.476 1.697 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC000417948137 446396174 /nfs/dbraw/zinc/39/61/74/446396174.db2.gz SRRIWMBTJHJPJU-SCTDSRPQSA-N 2 1 328.460 1.827 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000418075963 446432234 /nfs/dbraw/zinc/43/22/34/446432234.db2.gz HWJXQQVHNCMTHP-DLBZAZTESA-N 2 1 348.516 1.641 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000418075963 446432240 /nfs/dbraw/zinc/43/22/40/446432240.db2.gz HWJXQQVHNCMTHP-DLBZAZTESA-N 2 1 348.516 1.641 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)CCC(F)(F)F ZINC000418077597 446434548 /nfs/dbraw/zinc/43/45/48/446434548.db2.gz MEDAGFLTCSRSIR-OLZOCXBDSA-N 2 1 336.402 1.654 20 0 EDADMP COc1cc2[nH+]c(N3CC[C@@H](C)[C@@H](C[NH3+])C3)nc(N)c2cc1OC ZINC000420273185 446442525 /nfs/dbraw/zinc/44/25/25/446442525.db2.gz DDOWHPFMJKAGOD-MNOVXSKESA-N 2 1 331.420 1.650 20 0 EDADMP Cc1ncccc1O[C@H]1CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000366913118 446409098 /nfs/dbraw/zinc/40/90/98/446409098.db2.gz RELNRDPEXUTAHS-INIZCTEOSA-N 2 1 332.448 1.007 20 0 EDADMP Cc1ncccc1O[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000366913118 446409101 /nfs/dbraw/zinc/40/91/01/446409101.db2.gz RELNRDPEXUTAHS-INIZCTEOSA-N 2 1 332.448 1.007 20 0 EDADMP O=C(NCCC[NH2+]C1CC1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418002921 446412533 /nfs/dbraw/zinc/41/25/33/446412533.db2.gz XUYRZMZNXOJGCI-GOSISDBHSA-N 2 1 346.475 1.195 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000418012436 446415279 /nfs/dbraw/zinc/41/52/79/446415279.db2.gz LXTLCYQYBDOOGD-ATLSCFEFSA-N 2 1 330.476 1.886 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418017422 446416541 /nfs/dbraw/zinc/41/65/41/446416541.db2.gz SOVIOHZCGOPJGT-OWYHZJEWSA-N 2 1 342.487 1.758 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418017493 446416910 /nfs/dbraw/zinc/41/69/10/446416910.db2.gz YDFUECNQKFJCJO-CGTJXYLNSA-N 2 1 330.476 1.900 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000420314980 446480771 /nfs/dbraw/zinc/48/07/71/446480771.db2.gz RHYKFHPTDKXWSD-GOEBONIOSA-N 2 1 347.459 1.539 20 0 EDADMP CC[C@H](C)[C@@H](NC(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1)C(=O)OC ZINC000420304163 446467395 /nfs/dbraw/zinc/46/73/95/446467395.db2.gz DKWUQKULRMFHBH-SQWLQELKSA-N 2 1 327.469 1.154 20 0 EDADMP CC[C@H](C)[C@@H](NC(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1)C(=O)OC ZINC000420304163 446467398 /nfs/dbraw/zinc/46/73/98/446467398.db2.gz DKWUQKULRMFHBH-SQWLQELKSA-N 2 1 327.469 1.154 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000420310976 446474258 /nfs/dbraw/zinc/47/42/58/446474258.db2.gz GKADFVCMZLOJSJ-HUUCEWRRSA-N 2 1 326.444 1.563 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000420310976 446474259 /nfs/dbraw/zinc/47/42/59/446474259.db2.gz GKADFVCMZLOJSJ-HUUCEWRRSA-N 2 1 326.444 1.563 20 0 EDADMP COc1ccc([C@@H](C[NH3+])CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000420312035 446476266 /nfs/dbraw/zinc/47/62/66/446476266.db2.gz HPYZLNNLXJJAMV-AEFFLSMTSA-N 2 1 347.503 1.923 20 0 EDADMP CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420313863 446478609 /nfs/dbraw/zinc/47/86/09/446478609.db2.gz QAZMJXPABWBXPC-LBPRGKRZSA-N 2 1 339.461 1.924 20 0 EDADMP CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420313863 446478616 /nfs/dbraw/zinc/47/86/16/446478616.db2.gz QAZMJXPABWBXPC-LBPRGKRZSA-N 2 1 339.461 1.924 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423323523 446487553 /nfs/dbraw/zinc/48/75/53/446487553.db2.gz HZWRGDAIBPDERL-HNNXBMFYSA-N 2 1 336.484 1.401 20 0 EDADMP Cc1noc([C@@H]2CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000420322223 446487843 /nfs/dbraw/zinc/48/78/43/446487843.db2.gz SEUGBIRWIHSKMB-IKGGRYGDSA-N 2 1 330.432 1.488 20 0 EDADMP Cc1noc([C@@H]2CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000420322223 446487850 /nfs/dbraw/zinc/48/78/50/446487850.db2.gz SEUGBIRWIHSKMB-IKGGRYGDSA-N 2 1 330.432 1.488 20 0 EDADMP Cc1ccc(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420320307 446484895 /nfs/dbraw/zinc/48/48/95/446484895.db2.gz BENRXQWJNSQZDZ-KRWDZBQOSA-N 2 1 331.460 1.299 20 0 EDADMP Cc1ccc(CNC(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420320307 446484905 /nfs/dbraw/zinc/48/49/05/446484905.db2.gz BENRXQWJNSQZDZ-KRWDZBQOSA-N 2 1 331.460 1.299 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000423330077 446491212 /nfs/dbraw/zinc/49/12/12/446491212.db2.gz LWBDTOZSWNJZOQ-YOEHRIQHSA-N 2 1 347.459 1.568 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418308475 446494135 /nfs/dbraw/zinc/49/41/35/446494135.db2.gz BSVJNLYFAXHOEG-UHFFFAOYSA-N 2 1 339.528 1.363 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCOc1ccc(F)cc1 ZINC000420327932 446495326 /nfs/dbraw/zinc/49/53/26/446495326.db2.gz LTLMCKQLAHTFHD-JKSUJKDBSA-N 2 1 349.450 1.642 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418332499 446503605 /nfs/dbraw/zinc/50/36/05/446503605.db2.gz SOFBUSACROJFTF-MSOLQXFVSA-N 2 1 345.491 1.830 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1CC ZINC000423374657 446506695 /nfs/dbraw/zinc/50/66/95/446506695.db2.gz CPYFDENKKQRJOK-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000420335918 446506754 /nfs/dbraw/zinc/50/67/54/446506754.db2.gz VHSMEXUXRXIZNX-KDOFPFPSSA-N 2 1 347.415 1.182 20 0 EDADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1 ZINC000418341355 446506886 /nfs/dbraw/zinc/50/68/86/446506886.db2.gz DCORSMOLDAAIRV-MAUKXSAKSA-N 2 1 348.491 1.518 20 0 EDADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1 ZINC000418341355 446506891 /nfs/dbraw/zinc/50/68/91/446506891.db2.gz DCORSMOLDAAIRV-MAUKXSAKSA-N 2 1 348.491 1.518 20 0 EDADMP C[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C[NH+]1CCOCC1 ZINC000423374334 446506913 /nfs/dbraw/zinc/50/69/13/446506913.db2.gz IHMHCOHQOCGVND-NVXWUHKLSA-N 2 1 333.476 1.797 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]([NH3+])C2CCC2)c1 ZINC000423341517 446496918 /nfs/dbraw/zinc/49/69/18/446496918.db2.gz YACDVGMJEKQBKL-CVEARBPZSA-N 2 1 330.432 1.202 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]([NH3+])C2CCC2)c1 ZINC000423341517 446496928 /nfs/dbraw/zinc/49/69/28/446496928.db2.gz YACDVGMJEKQBKL-CVEARBPZSA-N 2 1 330.432 1.202 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000423353917 446498364 /nfs/dbraw/zinc/49/83/64/446498364.db2.gz FHMUQEKHQTUVDZ-HOTGVXAUSA-N 2 1 333.432 1.139 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)CCCO1 ZINC000420384244 446559309 /nfs/dbraw/zinc/55/93/09/446559309.db2.gz GHGBWNZLVPQVKM-QGZVFWFLSA-N 2 1 344.463 1.560 20 0 EDADMP COC(=O)c1ccccc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420388678 446562732 /nfs/dbraw/zinc/56/27/32/446562732.db2.gz MEVSWSQBXLHNMT-SJORKVTESA-N 2 1 330.428 1.674 20 0 EDADMP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344198 446517261 /nfs/dbraw/zinc/51/72/61/446517261.db2.gz SRVCJCJHUPTGJF-CAOSSQGBSA-N 2 1 336.480 1.322 20 0 EDADMP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346757 446521305 /nfs/dbraw/zinc/52/13/05/446521305.db2.gz DNIZRZYNXDNHSS-CRAIPNDOSA-N 2 1 348.466 1.152 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CC3(C[NH3+])CC3)C2)cc(OC)c1 ZINC000423428649 446533189 /nfs/dbraw/zinc/53/31/89/446533189.db2.gz JOUWKCYOMIIOFA-OAHLLOKOSA-N 2 1 347.459 1.523 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)CC3(C[NH3+])CC3)C2)cc(OC)c1 ZINC000423428649 446533192 /nfs/dbraw/zinc/53/31/92/446533192.db2.gz JOUWKCYOMIIOFA-OAHLLOKOSA-N 2 1 347.459 1.523 20 0 EDADMP CC(C)(C)[C@@H](CN)[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000420363833 446543761 /nfs/dbraw/zinc/54/37/61/446543761.db2.gz OFIZMKWNNIZBSU-GOSISDBHSA-N 2 1 346.519 1.862 20 0 EDADMP C[C@H](NC[C@@H]1C[N@H+](C)CCN1C)c1cc(-c2ccccc2)nn1C ZINC000453104007 446546494 /nfs/dbraw/zinc/54/64/94/446546494.db2.gz BVQAUZUGKQESGT-DOTOQJQBSA-N 2 1 327.476 1.984 20 0 EDADMP C[C@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1cc(-c2ccccc2)nn1C ZINC000453104007 446546500 /nfs/dbraw/zinc/54/65/00/446546500.db2.gz BVQAUZUGKQESGT-DOTOQJQBSA-N 2 1 327.476 1.984 20 0 EDADMP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420367317 446546538 /nfs/dbraw/zinc/54/65/38/446546538.db2.gz VJQGTUUBAXZIKB-UONOGXRCSA-N 2 1 325.478 1.717 20 0 EDADMP CCOc1ccc(OCC[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420369736 446547915 /nfs/dbraw/zinc/54/79/15/446547915.db2.gz CAAIXKWUWSHSKF-INIZCTEOSA-N 2 1 345.447 1.851 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418604696 446611035 /nfs/dbraw/zinc/61/10/35/446611035.db2.gz YALSUTSGXGXPBH-BRWVUGGUSA-N 3 1 339.528 1.042 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000411579482 446614859 /nfs/dbraw/zinc/61/48/59/446614859.db2.gz UTIBWWPJNHVDSL-HZPDHXFCSA-N 2 1 325.522 1.804 20 0 EDADMP COCC[NH2+]CCNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418503745 446570634 /nfs/dbraw/zinc/57/06/34/446570634.db2.gz YQSQDNZLNRMUDM-SFHVURJKSA-N 2 1 348.491 1.386 20 0 EDADMP CCc1cccc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000420397879 446571961 /nfs/dbraw/zinc/57/19/61/446571961.db2.gz GAIANKGXSNJGEB-RBUKOAKNSA-N 2 1 342.487 1.969 20 0 EDADMP CC(C)CCOCC[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420400508 446572742 /nfs/dbraw/zinc/57/27/42/446572742.db2.gz JSRAYSDJXKQLQS-DLBZAZTESA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH3+])CC1)c1cc2ccccc2o1 ZINC000420402428 446574760 /nfs/dbraw/zinc/57/47/60/446574760.db2.gz IUIFQXVFJFUSLE-KBPBESRZSA-N 2 1 345.443 1.784 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418621875 446618544 /nfs/dbraw/zinc/61/85/44/446618544.db2.gz UJXYJXBEVXZJNI-OAGGEKHMSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](CO)c2ccc(F)cc2)CC1 ZINC000411506899 446575621 /nfs/dbraw/zinc/57/56/21/446575621.db2.gz PONXNKKWFPAUFF-QGZVFWFLSA-N 2 1 337.439 1.438 20 0 EDADMP O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418520862 446578192 /nfs/dbraw/zinc/57/81/92/446578192.db2.gz HYYVECXLCLNHFY-GUDVDZBRSA-N 2 1 342.487 1.759 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000418560289 446595534 /nfs/dbraw/zinc/59/55/34/446595534.db2.gz LMROPQJXCWTMDM-SZMVWBNQSA-N 2 1 330.476 1.695 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000418560289 446595539 /nfs/dbraw/zinc/59/55/39/446595539.db2.gz LMROPQJXCWTMDM-SZMVWBNQSA-N 2 1 330.476 1.695 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)c1 ZINC000418580412 446602516 /nfs/dbraw/zinc/60/25/16/446602516.db2.gz SSBZEFNZGDWYIX-FUHWJXTLSA-N 2 1 330.476 1.820 20 0 EDADMP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000423613632 446606066 /nfs/dbraw/zinc/60/60/66/446606066.db2.gz VSMQLXYYNSWWNU-RCLSDMTESA-N 2 1 339.483 1.967 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1 ZINC000418600635 446609610 /nfs/dbraw/zinc/60/96/10/446609610.db2.gz KAAZIYIXUMCFFG-OAHLLOKOSA-N 2 1 336.484 1.118 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1 ZINC000418600635 446609618 /nfs/dbraw/zinc/60/96/18/446609618.db2.gz KAAZIYIXUMCFFG-OAHLLOKOSA-N 2 1 336.484 1.118 20 0 EDADMP [NH3+]CCC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000418665035 446639959 /nfs/dbraw/zinc/63/99/59/446639959.db2.gz DLMTYTDSLXTMHP-ZWKOTPCHSA-N 2 1 348.491 1.613 20 0 EDADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000368101781 446641558 /nfs/dbraw/zinc/64/15/58/446641558.db2.gz LKMCJONWXMXFNU-JSGCOSHPSA-N 2 1 348.472 1.868 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C[C@H](C)[N@@H+]1CCO ZINC000418666712 446641816 /nfs/dbraw/zinc/64/18/16/446641816.db2.gz GLAOSSXMNKKWQK-SOLBZPMBSA-N 2 1 348.491 1.563 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)[C@@H]1c1ccccc1 ZINC000375225431 446654124 /nfs/dbraw/zinc/65/41/24/446654124.db2.gz CQUXEHNTXTXSTE-MSOLQXFVSA-N 2 1 328.460 1.921 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H](C[NH3+])OC)CC2)cc1 ZINC000423735028 446668141 /nfs/dbraw/zinc/66/81/41/446668141.db2.gz RDXYCUUTGRUYKY-QGZVFWFLSA-N 2 1 335.448 1.093 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000368155581 446674051 /nfs/dbraw/zinc/67/40/51/446674051.db2.gz PBDNBYLZNGNQNJ-NVXWUHKLSA-N 2 1 338.496 1.269 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[NH2+]C ZINC000418632673 446623682 /nfs/dbraw/zinc/62/36/82/446623682.db2.gz WCWJKDKHXYFERJ-NVXWUHKLSA-N 2 1 333.480 1.685 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418645794 446629698 /nfs/dbraw/zinc/62/96/98/446629698.db2.gz WIFZLCBTQWGWMI-FUHWJXTLSA-N 2 1 330.476 1.999 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418647511 446631594 /nfs/dbraw/zinc/63/15/94/446631594.db2.gz GRCHFWWFZGVEMF-SJLPKXTDSA-N 2 1 348.491 1.395 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434259756 446632004 /nfs/dbraw/zinc/63/20/04/446632004.db2.gz IRTSXCDZJAKBLM-INIZCTEOSA-N 2 1 342.528 1.715 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434259756 446632009 /nfs/dbraw/zinc/63/20/09/446632009.db2.gz IRTSXCDZJAKBLM-INIZCTEOSA-N 2 1 342.528 1.715 20 0 EDADMP OC(C[NH+]1CC[C@]2(C1)CCCOC2)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375274354 446686685 /nfs/dbraw/zinc/68/66/85/446686685.db2.gz ACEZKNNEWMZDSS-OALUTQOASA-N 2 1 338.492 1.352 20 0 EDADMP C[C@@H](CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000423761986 446690616 /nfs/dbraw/zinc/69/06/16/446690616.db2.gz NLQGWUDZHDQTCF-HRCADAONSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@@H](CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000423761986 446690622 /nfs/dbraw/zinc/69/06/22/446690622.db2.gz NLQGWUDZHDQTCF-HRCADAONSA-N 2 1 325.497 1.580 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)cn1 ZINC000418778647 446696990 /nfs/dbraw/zinc/69/69/90/446696990.db2.gz AOMJOCRDMCCKIQ-NVXWUHKLSA-N 2 1 348.495 1.248 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)cn1 ZINC000418778647 446696999 /nfs/dbraw/zinc/69/69/99/446696999.db2.gz AOMJOCRDMCCKIQ-NVXWUHKLSA-N 2 1 348.495 1.248 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[NH2+]CCO3)CC[N@H+]2C2CC2)c1 ZINC000423833629 446721489 /nfs/dbraw/zinc/72/14/89/446721489.db2.gz TXWIBUVWWIHMOZ-FGTMMUONSA-N 2 1 345.443 1.078 20 0 EDADMP C[C@@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423861972 446733745 /nfs/dbraw/zinc/73/37/45/446733745.db2.gz DUCVGYIEOWVVSI-LMSBXDPUSA-N 2 1 331.460 1.390 20 0 EDADMP C[C@@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423861972 446733747 /nfs/dbraw/zinc/73/37/47/446733747.db2.gz DUCVGYIEOWVVSI-LMSBXDPUSA-N 2 1 331.460 1.390 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000423901528 446751994 /nfs/dbraw/zinc/75/19/94/446751994.db2.gz KTBNTUMVMCZNDA-RWQQGDIJSA-N 2 1 345.487 1.780 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000423901528 446751998 /nfs/dbraw/zinc/75/19/98/446751998.db2.gz KTBNTUMVMCZNDA-RWQQGDIJSA-N 2 1 345.487 1.780 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000454086529 446772328 /nfs/dbraw/zinc/77/23/28/446772328.db2.gz GEQFHUXWTAGMPF-KRWDZBQOSA-N 2 1 346.475 1.628 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000423924972 446774870 /nfs/dbraw/zinc/77/48/70/446774870.db2.gz APRQBACOVRPIHG-YQQAZPJKSA-N 2 1 333.480 1.404 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c1 ZINC000368363936 446813567 /nfs/dbraw/zinc/81/35/67/446813567.db2.gz WMVZRGZYIVVAKA-AYHJJNSGSA-N 2 1 343.471 1.569 20 0 EDADMP Cc1cn2c(n1)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)CCC2 ZINC000376945202 446813792 /nfs/dbraw/zinc/81/37/92/446813792.db2.gz MXGDRCMLXLMAJK-JYJNAYRXSA-N 2 1 349.479 1.165 20 0 EDADMP Cc1cn2c(n1)[C@H](CNC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C)CCC2 ZINC000376945202 446813796 /nfs/dbraw/zinc/81/37/96/446813796.db2.gz MXGDRCMLXLMAJK-JYJNAYRXSA-N 2 1 349.479 1.165 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000368403562 446840688 /nfs/dbraw/zinc/84/06/88/446840688.db2.gz DUBAYMXJWBXWCX-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000368403562 446840692 /nfs/dbraw/zinc/84/06/92/446840692.db2.gz DUBAYMXJWBXWCX-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000368403562 446840697 /nfs/dbraw/zinc/84/06/97/446840697.db2.gz DUBAYMXJWBXWCX-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000368403562 446840700 /nfs/dbraw/zinc/84/07/00/446840700.db2.gz DUBAYMXJWBXWCX-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP [NH3+]C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000423971749 446802426 /nfs/dbraw/zinc/80/24/26/446802426.db2.gz YXIUUPSDFUPJEW-ROUUACIJSA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+]C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000423971749 446802431 /nfs/dbraw/zinc/80/24/31/446802431.db2.gz YXIUUPSDFUPJEW-ROUUACIJSA-N 2 1 331.460 1.521 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412188274 446890173 /nfs/dbraw/zinc/89/01/73/446890173.db2.gz VWXIXFKBIAEELD-KBRIMQKVSA-N 2 1 337.533 1.803 20 0 EDADMP C[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000420928588 446899008 /nfs/dbraw/zinc/89/90/08/446899008.db2.gz ARPYIZFVHNOCLT-SOLBZPMBSA-N 2 1 333.476 1.356 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419083923 446913073 /nfs/dbraw/zinc/91/30/73/446913073.db2.gz XQINBLMHBJKEQK-IRXDYDNUSA-N 2 1 346.475 1.183 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419149635 446965060 /nfs/dbraw/zinc/96/50/60/446965060.db2.gz FMPBOPVWGRFYMA-HOTGVXAUSA-N 2 1 340.512 1.247 20 0 EDADMP CO[C@H](CC(C)C)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000419199662 447006958 /nfs/dbraw/zinc/00/69/58/447006958.db2.gz FANSRCRSVDCFSN-RTBURBONSA-N 2 1 341.540 1.774 20 0 EDADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc4c3OC(=O)C4)C2)CC1 ZINC000375748056 447019136 /nfs/dbraw/zinc/01/91/36/447019136.db2.gz XJZKRMUIVCDZCS-AWEZNQCLSA-N 2 1 343.427 1.046 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cccc4c3OC(=O)C4)C2)CC1 ZINC000375748056 447019139 /nfs/dbraw/zinc/01/91/39/447019139.db2.gz XJZKRMUIVCDZCS-AWEZNQCLSA-N 2 1 343.427 1.046 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000368617365 446983929 /nfs/dbraw/zinc/98/39/29/446983929.db2.gz GSKAYBMGAZDCSJ-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000419166601 446983978 /nfs/dbraw/zinc/98/39/78/446983978.db2.gz HOLSOEBSYKTQQC-HOTGVXAUSA-N 2 1 340.512 1.055 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2CO)CC1 ZINC000442882015 446987321 /nfs/dbraw/zinc/98/73/21/446987321.db2.gz CELGAPNXCVMEFE-AOIWGVFYSA-N 2 1 345.487 1.595 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H]2CO)CC1 ZINC000442882015 446987325 /nfs/dbraw/zinc/98/73/25/446987325.db2.gz CELGAPNXCVMEFE-AOIWGVFYSA-N 2 1 345.487 1.595 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](CCO)CC1)c1ccccc1 ZINC000421019709 446989656 /nfs/dbraw/zinc/98/96/56/446989656.db2.gz QDRBLHXPFBDJJM-MJGOQNOKSA-N 2 1 347.503 1.890 20 0 EDADMP O=C(NCc1c[nH+]c2n1CCCC2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000377279223 447036529 /nfs/dbraw/zinc/03/65/29/447036529.db2.gz GDDYDJSJEADKAZ-OAHLLOKOSA-N 2 1 331.464 1.989 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000377286238 447040679 /nfs/dbraw/zinc/04/06/79/447040679.db2.gz DZCBRJQMUZBPBT-VQIMIIECSA-N 2 1 335.492 1.527 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000419408452 447158581 /nfs/dbraw/zinc/15/85/81/447158581.db2.gz LPDONWSHFMFKKM-HUUCEWRRSA-N 2 1 338.496 1.143 20 0 EDADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCC(=O)N3CCN(C)CC3)C2)c1 ZINC000375958051 447174380 /nfs/dbraw/zinc/17/43/80/447174380.db2.gz ATMSVPIBSTZDMN-QGZVFWFLSA-N 2 1 345.491 1.288 20 0 EDADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCC(=O)N3CCN(C)CC3)C2)c1 ZINC000375958051 447174386 /nfs/dbraw/zinc/17/43/86/447174386.db2.gz ATMSVPIBSTZDMN-QGZVFWFLSA-N 2 1 345.491 1.288 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419437506 447176225 /nfs/dbraw/zinc/17/62/25/447176225.db2.gz GEOHVACYBWVGRC-IRXDYDNUSA-N 2 1 342.528 1.595 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000419483018 447214208 /nfs/dbraw/zinc/21/42/08/447214208.db2.gz RCFHJIPXLGWKSY-HOTGVXAUSA-N 2 1 340.512 1.104 20 0 EDADMP CC[NH+](CC)CCSCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000372677169 447218473 /nfs/dbraw/zinc/21/84/73/447218473.db2.gz XOOUFJQKIHAOAF-INIZCTEOSA-N 2 1 345.553 1.534 20 0 EDADMP C[NH+](C)C1CCC(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000421684966 447219755 /nfs/dbraw/zinc/21/97/55/447219755.db2.gz MKOCYSRQSRGUDS-CTWPCTMYSA-N 2 1 345.487 1.876 20 0 EDADMP C[NH+](C)C1CCC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000421684966 447219764 /nfs/dbraw/zinc/21/97/64/447219764.db2.gz MKOCYSRQSRGUDS-CTWPCTMYSA-N 2 1 345.487 1.876 20 0 EDADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000421700044 447220388 /nfs/dbraw/zinc/22/03/88/447220388.db2.gz CWQWPFDOQOFPKC-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000421700044 447220392 /nfs/dbraw/zinc/22/03/92/447220392.db2.gz CWQWPFDOQOFPKC-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000421700044 447220399 /nfs/dbraw/zinc/22/03/99/447220399.db2.gz CWQWPFDOQOFPKC-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000421700044 447220403 /nfs/dbraw/zinc/22/04/03/447220403.db2.gz CWQWPFDOQOFPKC-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+]1CCCCC1 ZINC000369046243 447284220 /nfs/dbraw/zinc/28/42/20/447284220.db2.gz FDKKZRIRRFMRQN-BRWVUGGUSA-N 2 1 338.496 1.271 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421826152 447261030 /nfs/dbraw/zinc/26/10/30/447261030.db2.gz REPGFMMXDKFDEU-IRXDYDNUSA-N 2 1 330.476 1.506 20 0 EDADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)[NH3+])c2C1 ZINC000415464515 447455586 /nfs/dbraw/zinc/45/55/86/447455586.db2.gz CWTOMTARZSIEDH-CYBMUJFWSA-N 2 1 346.475 1.839 20 0 EDADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH3+])c1)C1CC1 ZINC000415469833 447460487 /nfs/dbraw/zinc/46/04/87/447460487.db2.gz MXZPOUCXJUNLOD-KRWDZBQOSA-N 2 1 344.459 1.212 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC([NH3+])(CC)CC)c2C1 ZINC000415473707 447466079 /nfs/dbraw/zinc/46/60/79/447466079.db2.gz HPMKWFPZUGIHKJ-UHFFFAOYSA-N 2 1 346.475 1.984 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC([NH3+])(CC)CC)c2C1 ZINC000415473707 447466085 /nfs/dbraw/zinc/46/60/85/447466085.db2.gz HPMKWFPZUGIHKJ-UHFFFAOYSA-N 2 1 346.475 1.984 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000495185498 447480260 /nfs/dbraw/zinc/48/02/60/447480260.db2.gz UBFXVZYYCZEOAI-GJZGRUSLSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000495185498 447480262 /nfs/dbraw/zinc/48/02/62/447480262.db2.gz UBFXVZYYCZEOAI-GJZGRUSLSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000495185498 447480267 /nfs/dbraw/zinc/48/02/67/447480267.db2.gz UBFXVZYYCZEOAI-GJZGRUSLSA-N 2 1 336.480 1.118 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000388919360 447481739 /nfs/dbraw/zinc/48/17/39/447481739.db2.gz VJEQZFPKHJHVQF-VQTJNVASSA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388919360 447481742 /nfs/dbraw/zinc/48/17/42/447481742.db2.gz VJEQZFPKHJHVQF-VQTJNVASSA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388919360 447481743 /nfs/dbraw/zinc/48/17/43/447481743.db2.gz VJEQZFPKHJHVQF-VQTJNVASSA-N 2 1 349.519 1.522 20 0 EDADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000495363118 447493842 /nfs/dbraw/zinc/49/38/42/447493842.db2.gz UIOILWPYJZRCRS-JKIFEVAISA-N 2 1 327.469 1.288 20 0 EDADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000495363118 447493849 /nfs/dbraw/zinc/49/38/49/447493849.db2.gz UIOILWPYJZRCRS-JKIFEVAISA-N 2 1 327.469 1.288 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390879766 447505109 /nfs/dbraw/zinc/50/51/09/447505109.db2.gz USYMPXNGLKOTCK-RYQLBKOJSA-N 2 1 333.476 1.767 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390913419 447505855 /nfs/dbraw/zinc/50/58/55/447505855.db2.gz ZUYQACTZUYTZIM-NEWSRXKRSA-N 2 1 345.487 1.782 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC[NH2+]CC1 ZINC000390926558 447506655 /nfs/dbraw/zinc/50/66/55/447506655.db2.gz JFDUJBRBEZBSLR-GOSISDBHSA-N 2 1 331.460 1.393 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390925374 447506879 /nfs/dbraw/zinc/50/68/79/447506879.db2.gz JEFWZXWZEGGOSZ-QRVBRYPASA-N 2 1 345.487 1.911 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)C1 ZINC000419959932 447515111 /nfs/dbraw/zinc/51/51/11/447515111.db2.gz RHJQCMODROCWKV-GJZGRUSLSA-N 2 1 349.479 1.099 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000457439794 447582117 /nfs/dbraw/zinc/58/21/17/447582117.db2.gz BJVIQJIODLSCHQ-KGLIPLIRSA-N 2 1 340.493 1.059 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000457529212 447588189 /nfs/dbraw/zinc/58/81/89/447588189.db2.gz MDZOIYSGNAZVBA-GOSISDBHSA-N 2 1 348.491 1.394 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H](C)[N@@H+]1CCO ZINC000457395901 447572260 /nfs/dbraw/zinc/57/22/60/447572260.db2.gz UGKYURPJFOHZDJ-OKILXGFUSA-N 2 1 340.512 1.392 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000427491248 447608561 /nfs/dbraw/zinc/60/85/61/447608561.db2.gz UISDIUDTHZZHFR-QGZVFWFLSA-N 2 1 347.507 1.439 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459264393 447625520 /nfs/dbraw/zinc/62/55/20/447625520.db2.gz MYQUDWRUIOQKLP-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)CC1 ZINC000428459552 447703796 /nfs/dbraw/zinc/70/37/96/447703796.db2.gz MMJDXLSCOMUCNN-LPHOPBHVSA-N 2 1 344.503 1.914 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC(C)(C)CC[NH3+] ZINC000422604848 447666470 /nfs/dbraw/zinc/66/64/70/447666470.db2.gz OXXCCHCDGHFQAF-INIZCTEOSA-N 2 1 347.507 1.624 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000416759191 447684991 /nfs/dbraw/zinc/68/49/91/447684991.db2.gz MIWKGTPQUDGTTQ-LSDHHAIUSA-N 2 1 334.464 1.667 20 0 EDADMP C[NH+](C)CCOc1ccccc1CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422833932 447763390 /nfs/dbraw/zinc/76/33/90/447763390.db2.gz ZESWQGJRAOFXJM-RBUKOAKNSA-N 2 1 333.476 1.484 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)CC[NH2+]CC1 ZINC000422710593 447723105 /nfs/dbraw/zinc/72/31/05/447723105.db2.gz FBTDECKRPUECMS-HNNXBMFYSA-N 2 1 337.508 1.772 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422715177 447725254 /nfs/dbraw/zinc/72/52/54/447725254.db2.gz LYMWSYSXIYDZOK-GBESFXJTSA-N 2 1 345.487 1.434 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422715177 447725266 /nfs/dbraw/zinc/72/52/66/447725266.db2.gz LYMWSYSXIYDZOK-GBESFXJTSA-N 2 1 345.487 1.434 20 0 EDADMP COc1ccc([C@H](NCCC[NH+]2CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422728223 447731035 /nfs/dbraw/zinc/73/10/35/447731035.db2.gz FOJIHETVTYRPIT-OALUTQOASA-N 2 1 333.476 1.800 20 0 EDADMP CC(C)C[N@@H+]1CCO[C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422766274 447744157 /nfs/dbraw/zinc/74/41/57/447744157.db2.gz LSASWJJMCVYGHS-BRSBDYLESA-N 2 1 325.497 1.090 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422766274 447744161 /nfs/dbraw/zinc/74/41/61/447744161.db2.gz LSASWJJMCVYGHS-BRSBDYLESA-N 2 1 325.497 1.090 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422772776 447746119 /nfs/dbraw/zinc/74/61/19/447746119.db2.gz SWLOGXPDVTWKKZ-KBPBESRZSA-N 2 1 339.505 1.976 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]CC2([NH+](C)C)CCCC2)CC[NH2+]CC1 ZINC000422777318 447748112 /nfs/dbraw/zinc/74/81/12/447748112.db2.gz CBXKBKPIIXYXCO-OAHLLOKOSA-N 3 1 325.497 1.772 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@@H+]1CCc2ccccc2C1 ZINC000452377648 447819268 /nfs/dbraw/zinc/81/92/68/447819268.db2.gz RNKYAECLVNHIKU-VQIMIIECSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@H+]1CCc2ccccc2C1 ZINC000452377648 447819271 /nfs/dbraw/zinc/81/92/71/447819271.db2.gz RNKYAECLVNHIKU-VQIMIIECSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+]1CCc2ccccc2C1 ZINC000452377648 447819274 /nfs/dbraw/zinc/81/92/74/447819274.db2.gz RNKYAECLVNHIKU-VQIMIIECSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCc2ccccc2C1 ZINC000452377648 447819277 /nfs/dbraw/zinc/81/92/77/447819277.db2.gz RNKYAECLVNHIKU-VQIMIIECSA-N 2 1 345.487 1.396 20 0 EDADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000430708657 447783292 /nfs/dbraw/zinc/78/32/92/447783292.db2.gz KDQUDLQZYFOXEZ-ROUUACIJSA-N 2 1 345.487 1.782 20 0 EDADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000430708657 447783295 /nfs/dbraw/zinc/78/32/95/447783295.db2.gz KDQUDLQZYFOXEZ-ROUUACIJSA-N 2 1 345.487 1.782 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000430803411 447786980 /nfs/dbraw/zinc/78/69/80/447786980.db2.gz UAGPZFVNCRWJEL-APWZRJJASA-N 2 1 327.472 1.891 20 0 EDADMP [NH3+]CC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000422980966 447787123 /nfs/dbraw/zinc/78/71/23/447787123.db2.gz RNMSHCFAMPERQH-RDVQEIBISA-N 3 1 331.504 1.977 20 0 EDADMP [NH3+]CC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000422980966 447787128 /nfs/dbraw/zinc/78/71/28/447787128.db2.gz RNMSHCFAMPERQH-RDVQEIBISA-N 3 1 331.504 1.977 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423085147 447802675 /nfs/dbraw/zinc/80/26/75/447802675.db2.gz JSLCLJWARDEGBB-OKZBNKHCSA-N 2 1 331.460 1.392 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423085147 447802679 /nfs/dbraw/zinc/80/26/79/447802679.db2.gz JSLCLJWARDEGBB-OKZBNKHCSA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000423113947 447807433 /nfs/dbraw/zinc/80/74/33/447807433.db2.gz VALLVYCLUMXYHP-KKGYMGPXSA-N 3 1 336.524 1.580 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487580476 447834286 /nfs/dbraw/zinc/83/42/86/447834286.db2.gz ZFKIKDHNQGBAKQ-SJORKVTESA-N 2 1 340.512 1.395 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)C1CC1 ZINC000496671622 447845305 /nfs/dbraw/zinc/84/53/05/447845305.db2.gz IGHHHGMHZJSKDD-AWEZNQCLSA-N 2 1 327.469 1.479 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)C1CC1 ZINC000496671622 447845306 /nfs/dbraw/zinc/84/53/06/447845306.db2.gz IGHHHGMHZJSKDD-AWEZNQCLSA-N 2 1 327.469 1.479 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)C1 ZINC000489165891 447852484 /nfs/dbraw/zinc/85/24/84/447852484.db2.gz FODVHTZWZINZGU-WCXIOVBPSA-N 2 1 338.496 1.079 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)C1 ZINC000489165891 447852485 /nfs/dbraw/zinc/85/24/85/447852485.db2.gz FODVHTZWZINZGU-WCXIOVBPSA-N 2 1 338.496 1.079 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)C1 ZINC000489165891 447852486 /nfs/dbraw/zinc/85/24/86/447852486.db2.gz FODVHTZWZINZGU-WCXIOVBPSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[NH+]1CCCC1 ZINC000523353913 447881954 /nfs/dbraw/zinc/88/19/54/447881954.db2.gz HETIRKRAIPYWFJ-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569755439 447884221 /nfs/dbraw/zinc/88/42/21/447884221.db2.gz FPIKLRUKXAALRH-BBWFWOEESA-N 2 1 343.512 1.157 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569755439 447884225 /nfs/dbraw/zinc/88/42/25/447884225.db2.gz FPIKLRUKXAALRH-BBWFWOEESA-N 2 1 343.512 1.157 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@@H]4CCC[C@H]43)CC2)CC1 ZINC000575812508 447905054 /nfs/dbraw/zinc/90/50/54/447905054.db2.gz MBAOSHMITNPVIG-RTBURBONSA-N 2 1 349.519 1.963 20 0 EDADMP C[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000570187729 447960451 /nfs/dbraw/zinc/96/04/51/447960451.db2.gz MKHKDFIMLTWKKD-WBAXXEDZSA-N 2 1 346.475 1.312 20 0 EDADMP C[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000570187729 447960456 /nfs/dbraw/zinc/96/04/56/447960456.db2.gz MKHKDFIMLTWKKD-WBAXXEDZSA-N 2 1 346.475 1.312 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000524371909 447927631 /nfs/dbraw/zinc/92/76/31/447927631.db2.gz WLJIYRLJYIPUKH-HKUYNNGSSA-N 2 1 331.460 1.176 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000524366412 447927791 /nfs/dbraw/zinc/92/77/91/447927791.db2.gz ZYGADJNFXIWXBL-MSOLQXFVSA-N 2 1 330.476 1.186 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000524436040 447930921 /nfs/dbraw/zinc/93/09/21/447930921.db2.gz IAFBQHKSYPFSHR-SFHVURJKSA-N 2 1 330.476 1.002 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000524436040 447930926 /nfs/dbraw/zinc/93/09/26/447930926.db2.gz IAFBQHKSYPFSHR-SFHVURJKSA-N 2 1 330.476 1.002 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000524436040 447930930 /nfs/dbraw/zinc/93/09/30/447930930.db2.gz IAFBQHKSYPFSHR-SFHVURJKSA-N 2 1 330.476 1.002 20 0 EDADMP [NH3+]C[C@H](NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C1CCCCC1 ZINC000576212287 447999137 /nfs/dbraw/zinc/99/91/37/447999137.db2.gz OZFKGSAPVKIDEQ-DLBZAZTESA-N 2 1 331.464 1.645 20 0 EDADMP CC1(C)C[N@@H+](Cc2cncc(C[NH+]3C[C@@H](O)C(C)(C)C3)c2)C[C@@H]1O ZINC000576227700 448004646 /nfs/dbraw/zinc/00/46/46/448004646.db2.gz YSHRYFCFBRJQQU-CALCHBBNSA-N 2 1 333.476 1.487 20 0 EDADMP CC1(C)C[NH+](Cc2cncc(C[N@@H+]3C[C@@H](O)C(C)(C)C3)c2)C[C@@H]1O ZINC000576227700 448004653 /nfs/dbraw/zinc/00/46/53/448004653.db2.gz YSHRYFCFBRJQQU-CALCHBBNSA-N 2 1 333.476 1.487 20 0 EDADMP CC1(C)C[NH+](Cc2cncc(C[N@H+]3C[C@@H](O)C(C)(C)C3)c2)C[C@@H]1O ZINC000576227700 448004658 /nfs/dbraw/zinc/00/46/58/448004658.db2.gz YSHRYFCFBRJQQU-CALCHBBNSA-N 2 1 333.476 1.487 20 0 EDADMP Cc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc(C)c1OC(F)F ZINC000570866178 448077808 /nfs/dbraw/zinc/07/78/08/448077808.db2.gz KKEJFPUKYQZKQM-UONOGXRCSA-N 2 1 339.386 1.649 20 0 EDADMP Cc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc(C)c1OC(F)F ZINC000570866178 448077812 /nfs/dbraw/zinc/07/78/12/448077812.db2.gz KKEJFPUKYQZKQM-UONOGXRCSA-N 2 1 339.386 1.649 20 0 EDADMP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000576569194 448084691 /nfs/dbraw/zinc/08/46/91/448084691.db2.gz WDNICNCPGGBNCG-DOTOQJQBSA-N 2 1 346.475 1.054 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)[C@@H]3CCOC3)CC2)CC1 ZINC000576647013 448105367 /nfs/dbraw/zinc/10/53/67/448105367.db2.gz OLERRMWNSFCESJ-NVXWUHKLSA-N 2 1 337.508 1.724 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000526975132 448128598 /nfs/dbraw/zinc/12/85/98/448128598.db2.gz JMKVSFLJPWQTQY-AWEZNQCLSA-N 2 1 347.463 1.405 20 0 EDADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000576731532 448128818 /nfs/dbraw/zinc/12/88/18/448128818.db2.gz GNPOLXDKGZAVLJ-HYVNUMGLSA-N 2 1 348.495 1.411 20 0 EDADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000576731532 448128823 /nfs/dbraw/zinc/12/88/23/448128823.db2.gz GNPOLXDKGZAVLJ-HYVNUMGLSA-N 2 1 348.495 1.411 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000531769019 448140103 /nfs/dbraw/zinc/14/01/03/448140103.db2.gz LWXWXIVUHWHSTP-NEWSRXKRSA-N 2 1 347.503 1.978 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000531769019 448140107 /nfs/dbraw/zinc/14/01/07/448140107.db2.gz LWXWXIVUHWHSTP-NEWSRXKRSA-N 2 1 347.503 1.978 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)[NH+]1CCOCC1 ZINC000557115927 448182578 /nfs/dbraw/zinc/18/25/78/448182578.db2.gz AXEAPZHIRDMACL-ZIAGYGMSSA-N 2 1 348.438 1.030 20 0 EDADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000497089854 448190499 /nfs/dbraw/zinc/19/04/99/448190499.db2.gz OBVTWRXTRAPJAL-RHSMWYFYSA-N 2 1 329.485 1.726 20 0 EDADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000497089854 448190501 /nfs/dbraw/zinc/19/05/01/448190501.db2.gz OBVTWRXTRAPJAL-RHSMWYFYSA-N 2 1 329.485 1.726 20 0 EDADMP COc1cc2[nH+]c(NC[C@H]3CC[N@@H+](C4CC4)C3)nc(N)c2cc1OC ZINC000558080610 448191083 /nfs/dbraw/zinc/19/10/83/448191083.db2.gz VZNFFXZDPOLBKD-LLVKDONJSA-N 2 1 343.431 1.547 20 0 EDADMP COc1cc2[nH+]c(NC[C@H]3CC[N@H+](C4CC4)C3)nc(N)c2cc1OC ZINC000558080610 448191087 /nfs/dbraw/zinc/19/10/87/448191087.db2.gz VZNFFXZDPOLBKD-LLVKDONJSA-N 2 1 343.431 1.547 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@@H]1CC ZINC000514788931 448203599 /nfs/dbraw/zinc/20/35/99/448203599.db2.gz APDDGDRYQIGLIA-PKOBYXMFSA-N 2 1 345.487 1.833 20 0 EDADMP C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(CC[NH3+])CC1 ZINC000571529570 448167359 /nfs/dbraw/zinc/16/73/59/448167359.db2.gz NQTZIHIMBOLHPH-ZDUSSCGKSA-N 2 1 341.463 1.741 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3c[nH]nc3C)CC2)CC1 ZINC000577213959 448238041 /nfs/dbraw/zinc/23/80/41/448238041.db2.gz NZGXEUWCRVZBRR-UHFFFAOYSA-N 2 1 333.480 1.531 20 0 EDADMP C[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000514912062 448222192 /nfs/dbraw/zinc/22/21/92/448222192.db2.gz HBGSSRZBPQBFHA-WTLGNFPFSA-N 2 1 333.476 1.487 20 0 EDADMP C[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000514912062 448222195 /nfs/dbraw/zinc/22/21/95/448222195.db2.gz HBGSSRZBPQBFHA-WTLGNFPFSA-N 2 1 333.476 1.487 20 0 EDADMP C[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000514912062 448222198 /nfs/dbraw/zinc/22/21/98/448222198.db2.gz HBGSSRZBPQBFHA-WTLGNFPFSA-N 2 1 333.476 1.487 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000532348306 448241418 /nfs/dbraw/zinc/24/14/18/448241418.db2.gz MKCBHBOELUYAOD-AEFFLSMTSA-N 2 1 349.523 1.033 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000577264958 448249586 /nfs/dbraw/zinc/24/95/86/448249586.db2.gz IRPLMGAEJZDFMS-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP CC[C@H]1C[NH+](C)CCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577264958 448249591 /nfs/dbraw/zinc/24/95/91/448249591.db2.gz IRPLMGAEJZDFMS-ROUUACIJSA-N 2 1 330.476 1.997 20 0 EDADMP Cn1c2cc(F)ccc2[nH+]c1NCC(=O)NCC[NH+]1CCCCCC1 ZINC000562390209 448251813 /nfs/dbraw/zinc/25/18/13/448251813.db2.gz CKZYSCTUZVPWRD-UHFFFAOYSA-N 2 1 347.438 2.117 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)C1CC1 ZINC000572236424 448322011 /nfs/dbraw/zinc/32/20/11/448322011.db2.gz GQCDCFYLSOVEHU-ZNMIVQPWSA-N 2 1 336.436 1.212 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)C1CC1 ZINC000572236424 448322014 /nfs/dbraw/zinc/32/20/14/448322014.db2.gz GQCDCFYLSOVEHU-ZNMIVQPWSA-N 2 1 336.436 1.212 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)C[C@H]([NH3+])Cc2ccccc2)C[C@H](C)O1 ZINC000515646338 448338543 /nfs/dbraw/zinc/33/85/43/448338543.db2.gz ZWDAEFGIDYWCEJ-SOLBZPMBSA-N 2 1 333.476 1.514 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)C[C@H]([NH3+])Cc2ccccc2)C[C@H](C)O1 ZINC000515646338 448338548 /nfs/dbraw/zinc/33/85/48/448338548.db2.gz ZWDAEFGIDYWCEJ-SOLBZPMBSA-N 2 1 333.476 1.514 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000591553357 448387995 /nfs/dbraw/zinc/38/79/95/448387995.db2.gz AIHXPKOBSHVRAI-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000591553357 448388000 /nfs/dbraw/zinc/38/80/00/448388000.db2.gz AIHXPKOBSHVRAI-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000591553357 448388006 /nfs/dbraw/zinc/38/80/06/448388006.db2.gz AIHXPKOBSHVRAI-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000591571566 448392968 /nfs/dbraw/zinc/39/29/68/448392968.db2.gz PRGCJBATSONFEI-KRWDZBQOSA-N 2 1 348.491 1.563 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000577831575 448395398 /nfs/dbraw/zinc/39/53/98/448395398.db2.gz CMVDDJMOAAPMOP-SOLBZPMBSA-N 2 1 330.476 1.806 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[NH2+][C@@H]3C)cc2)CC1 ZINC000572599590 448417797 /nfs/dbraw/zinc/41/77/97/448417797.db2.gz DQAQFXBIKJKWRN-RDTXWAMCSA-N 2 1 344.459 1.287 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[NH2+]CCCNc2ccc(C)c[nH+]2)cc1 ZINC000583495236 448436167 /nfs/dbraw/zinc/43/61/67/448436167.db2.gz VXUNWEKWPSZMMN-KRWDZBQOSA-N 2 1 329.444 2.530 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000578010985 448439326 /nfs/dbraw/zinc/43/93/26/448439326.db2.gz KMDLTOJUENXBTK-HZPDHXFCSA-N 2 1 326.529 1.400 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578068194 448453836 /nfs/dbraw/zinc/45/38/36/448453836.db2.gz SGOGTSUQPGXWHT-NUJGCVRESA-N 2 1 335.492 1.478 20 0 EDADMP CCOCC[C@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000516645383 448454383 /nfs/dbraw/zinc/45/43/83/448454383.db2.gz YSDXUYZUBRSJCM-APWZRJJASA-N 2 1 336.476 1.784 20 0 EDADMP CCOCC[C@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000516645383 448454387 /nfs/dbraw/zinc/45/43/87/448454387.db2.gz YSDXUYZUBRSJCM-APWZRJJASA-N 2 1 336.476 1.784 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@H]2C1 ZINC000572791595 448465237 /nfs/dbraw/zinc/46/52/37/448465237.db2.gz LMJGGVQUQNKZPF-DLBZAZTESA-N 2 1 332.448 1.230 20 0 EDADMP CCOC(=O)[C@@H](CC)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000516738246 448466242 /nfs/dbraw/zinc/46/62/42/448466242.db2.gz WQPMYNJCXQOULR-ZDUSSCGKSA-N 2 1 334.420 1.361 20 0 EDADMP CN(C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000528292919 448479409 /nfs/dbraw/zinc/47/94/09/448479409.db2.gz HPBWWMZIVAUPIS-IKGGRYGDSA-N 2 1 336.480 1.118 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000572847799 448479434 /nfs/dbraw/zinc/47/94/34/448479434.db2.gz RSVKPXTULJBCSA-SOLBZPMBSA-N 3 1 327.513 1.168 20 0 EDADMP C[NH2+]C[C@@](C)(O)CN1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000572847799 448479439 /nfs/dbraw/zinc/47/94/39/448479439.db2.gz RSVKPXTULJBCSA-SOLBZPMBSA-N 2 1 327.513 1.168 20 0 EDADMP C[NH2+]C[C@@](C)(O)CN1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000572847799 448479443 /nfs/dbraw/zinc/47/94/43/448479443.db2.gz RSVKPXTULJBCSA-SOLBZPMBSA-N 2 1 327.513 1.168 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528367349 448500487 /nfs/dbraw/zinc/50/04/87/448500487.db2.gz QLXJEQKPPRZBHD-KURKYZTESA-N 2 1 339.524 1.143 20 0 EDADMP C[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000517244966 448562457 /nfs/dbraw/zinc/56/24/57/448562457.db2.gz NDAINKRIYJBAEH-AWEZNQCLSA-N 2 1 342.447 1.052 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(O)CCC2)[C@@H](C)C1 ZINC000528455233 448536258 /nfs/dbraw/zinc/53/62/58/448536258.db2.gz DRWACVABHPGFBG-ULQDDVLXSA-N 2 1 328.497 1.379 20 0 EDADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000566916292 448584995 /nfs/dbraw/zinc/58/49/95/448584995.db2.gz XYBFJKHEAAAZFV-MSOLQXFVSA-N 2 1 336.476 1.480 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573485277 448639211 /nfs/dbraw/zinc/63/92/11/448639211.db2.gz KXUVRNLMDRKUCB-RCCFBDPRSA-N 2 1 328.460 1.362 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000528700083 448637017 /nfs/dbraw/zinc/63/70/17/448637017.db2.gz AMWQPACPBWIBOX-UHFFFAOYSA-N 2 1 342.443 1.465 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H](C)[N@H+]1CCO ZINC000573697125 448692686 /nfs/dbraw/zinc/69/26/86/448692686.db2.gz RNJYRLXYXWZALH-IYBDPMFKSA-N 2 1 333.476 1.318 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H](C)[N@@H+]1CCO ZINC000573697125 448692691 /nfs/dbraw/zinc/69/26/91/448692691.db2.gz RNJYRLXYXWZALH-IYBDPMFKSA-N 2 1 333.476 1.318 20 0 EDADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000573783625 448709754 /nfs/dbraw/zinc/70/97/54/448709754.db2.gz VWDPMYMNLRKDKT-GOEBONIOSA-N 2 1 337.489 1.847 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529104778 448762233 /nfs/dbraw/zinc/76/22/33/448762233.db2.gz CNFJYPGIRNWVNA-MRXNPFEDSA-N 2 1 348.495 1.973 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000579225345 448744345 /nfs/dbraw/zinc/74/43/45/448744345.db2.gz AOEOHBHTVOKIKB-HNNXBMFYSA-N 2 1 340.512 1.151 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@@H](C)O1 ZINC000573917402 448746853 /nfs/dbraw/zinc/74/68/53/448746853.db2.gz TVDFWGYUFSUBHG-IIDMSEBBSA-N 2 1 345.487 1.877 20 0 EDADMP C[C@H](CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000519169769 448749643 /nfs/dbraw/zinc/74/96/43/448749643.db2.gz BNJVUXNNBMCXLI-MJGOQNOKSA-N 2 1 344.503 1.576 20 0 EDADMP COc1cccc(CN(CC[NH+](C)C)C(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC000579241971 448752282 /nfs/dbraw/zinc/75/22/82/448752282.db2.gz JTTBXDNAHOCZQO-MRXNPFEDSA-N 2 1 333.476 1.927 20 0 EDADMP CC[C@@H](CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000567822305 448768484 /nfs/dbraw/zinc/76/84/84/448768484.db2.gz JUUZFFPSPXPQIN-OKZBNKHCSA-N 2 1 331.460 1.316 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000519646006 448811171 /nfs/dbraw/zinc/81/11/71/448811171.db2.gz GMQTYNZISVAMDX-UHOSZYNNSA-N 2 1 345.487 1.924 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000519646006 448811176 /nfs/dbraw/zinc/81/11/76/448811176.db2.gz GMQTYNZISVAMDX-UHOSZYNNSA-N 2 1 345.487 1.924 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000529313832 448818054 /nfs/dbraw/zinc/81/80/54/448818054.db2.gz CAJYSQDNWARWCU-OAGGEKHMSA-N 2 1 336.480 1.214 20 0 EDADMP COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c2ccccc12 ZINC000519703285 448823996 /nfs/dbraw/zinc/82/39/96/448823996.db2.gz FCSOCRUEZDFXDC-YOEHRIQHSA-N 2 1 325.412 1.592 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000529362674 448841113 /nfs/dbraw/zinc/84/11/13/448841113.db2.gz YGNMFFGQXYKZRG-USXIJHARSA-N 2 1 332.492 1.929 20 0 EDADMP O=C(NCCC1=CC[NH2+]CC1)NCC[N@H+]1CCc2ccccc2C1 ZINC000579811495 448882001 /nfs/dbraw/zinc/88/20/01/448882001.db2.gz AWZZAGNDTSIFEQ-UHFFFAOYSA-N 2 1 328.460 1.654 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCc2nc[nH]c2C1)Cc1ccccc1 ZINC000520676754 448920939 /nfs/dbraw/zinc/92/09/39/448920939.db2.gz XNQALYBLQCLIQE-HZPDHXFCSA-N 2 1 341.459 1.739 20 0 EDADMP CN(C)[C@@H](CNC[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000574804117 448959111 /nfs/dbraw/zinc/95/91/11/448959111.db2.gz XUPNSSNRYSJWIW-YOEHRIQHSA-N 2 1 325.884 1.987 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000521217160 448962646 /nfs/dbraw/zinc/96/26/46/448962646.db2.gz IJBAEZYRYSLLDZ-ZWKOTPCHSA-N 2 1 348.491 1.309 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569123929 448967238 /nfs/dbraw/zinc/96/72/38/448967238.db2.gz QRTPZHOISXUBJO-MJQMVNBJSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569123929 448967242 /nfs/dbraw/zinc/96/72/42/448967242.db2.gz QRTPZHOISXUBJO-MJQMVNBJSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)COC[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000569212735 448981123 /nfs/dbraw/zinc/98/11/23/448981123.db2.gz KVSRAHISNZHDRX-HXUWFJFHSA-N 2 1 349.519 1.557 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)CCN2C1=O ZINC000521646623 449007068 /nfs/dbraw/zinc/00/70/68/449007068.db2.gz WEEBQANKXFFEOK-OCCSQVGLSA-N 2 1 343.349 1.372 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)CCN2C1=O ZINC000521646623 449007071 /nfs/dbraw/zinc/00/70/71/449007071.db2.gz WEEBQANKXFFEOK-OCCSQVGLSA-N 2 1 343.349 1.372 20 0 EDADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)COCc1ccccc1Cl ZINC000569363018 449013963 /nfs/dbraw/zinc/01/39/63/449013963.db2.gz WHCFZDJXEUFXIE-HOTGVXAUSA-N 2 1 342.867 1.264 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000522285959 449073530 /nfs/dbraw/zinc/07/35/30/449073530.db2.gz OLYAHHDPKLKSQY-AWEZNQCLSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000575329507 449080010 /nfs/dbraw/zinc/08/00/10/449080010.db2.gz IXMYOBFJPUULHQ-CVEARBPZSA-N 2 1 333.476 1.318 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C[N@H+]1CCO ZINC000575329507 449080015 /nfs/dbraw/zinc/08/00/15/449080015.db2.gz IXMYOBFJPUULHQ-CVEARBPZSA-N 2 1 333.476 1.318 20 0 EDADMP CSC1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC[NH+](C)CC1 ZINC000589651552 449046447 /nfs/dbraw/zinc/04/64/47/449046447.db2.gz USIGNXDJUCSULV-AWEZNQCLSA-N 2 1 336.505 1.698 20 0 EDADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN(C3CCCCC3)C2=O)CC12CCOCC2 ZINC000530225660 449088070 /nfs/dbraw/zinc/08/80/70/449088070.db2.gz VGHODLRYQAFGJI-DOTOQJQBSA-N 2 1 335.492 1.607 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC[C@H](n3ccnc3)C2)[nH+]c1 ZINC000590854698 449321523 /nfs/dbraw/zinc/32/15/23/449321523.db2.gz KDVSQSZJMSCVDN-INIZCTEOSA-N 2 1 342.447 2.435 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000595958290 449282779 /nfs/dbraw/zinc/28/27/79/449282779.db2.gz YLODNSXBXBHAIQ-CQSZACIVSA-N 2 1 345.443 1.042 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)c2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000595958290 449282785 /nfs/dbraw/zinc/28/27/85/449282785.db2.gz YLODNSXBXBHAIQ-CQSZACIVSA-N 2 1 345.443 1.042 20 0 EDADMP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)c21 ZINC000595958611 449282872 /nfs/dbraw/zinc/28/28/72/449282872.db2.gz FQSTYERZMJXACS-NUEKZKHPSA-N 2 1 331.464 1.466 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000602112015 449355237 /nfs/dbraw/zinc/35/52/37/449355237.db2.gz TULKXZKIEFBGQT-INIZCTEOSA-N 2 1 345.491 1.294 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000606360422 449454444 /nfs/dbraw/zinc/45/44/44/449454444.db2.gz PYRUQQHIDKBUSB-KURKYZTESA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594612332 449593820 /nfs/dbraw/zinc/59/38/20/449593820.db2.gz LZMVTWIIBDIGPD-QAPCUYQASA-N 2 1 342.480 1.312 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C2([S@](C)=O)CC[NH2+]CC2)C1 ZINC000602466236 449613001 /nfs/dbraw/zinc/61/30/01/449613001.db2.gz BHMWGEYGBJHYLT-CMJOXMDJSA-N 2 1 343.537 1.115 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000617505501 449653670 /nfs/dbraw/zinc/65/36/70/449653670.db2.gz FIRIJMONLXSNKT-YESZJQIVSA-N 2 1 327.513 1.970 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000617505501 449653677 /nfs/dbraw/zinc/65/36/77/449653677.db2.gz FIRIJMONLXSNKT-YESZJQIVSA-N 2 1 327.513 1.970 20 0 EDADMP CCN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000617554775 449685195 /nfs/dbraw/zinc/68/51/95/449685195.db2.gz JMIYKZALOVTVHR-KRWDZBQOSA-N 2 1 345.491 1.146 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1coc(-c2cccnc2)n1 ZINC000617502680 449648112 /nfs/dbraw/zinc/64/81/12/449648112.db2.gz YKRWAGCAYXVTDC-AWEZNQCLSA-N 2 1 345.447 1.738 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1coc(-c2cccnc2)n1 ZINC000617502680 449648118 /nfs/dbraw/zinc/64/81/18/449648118.db2.gz YKRWAGCAYXVTDC-AWEZNQCLSA-N 2 1 345.447 1.738 20 0 EDADMP CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CCCn1ccnc1 ZINC000607837227 449648345 /nfs/dbraw/zinc/64/83/45/449648345.db2.gz QTEIIOPJZWOMDX-UHFFFAOYSA-N 2 1 329.404 1.463 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccccc1-n1cccn1 ZINC000617505014 449649189 /nfs/dbraw/zinc/64/91/89/449649189.db2.gz TXHIROCDYFINCH-INIZCTEOSA-N 2 1 343.475 1.874 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccccc1-n1cccn1 ZINC000617505014 449649192 /nfs/dbraw/zinc/64/91/92/449649192.db2.gz TXHIROCDYFINCH-INIZCTEOSA-N 2 1 343.475 1.874 20 0 EDADMP Cn1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(C(=O)OC(C)(C)C)n1 ZINC000602624915 449712720 /nfs/dbraw/zinc/71/27/20/449712720.db2.gz PPMRHYIOEFPXHF-ZDUSSCGKSA-N 2 1 345.447 1.924 20 0 EDADMP C[C@@H]1C[N@H+](CCNC(=O)CC[NH+](C)C2CCCCC2)[C@@H](C)CO1 ZINC000617726536 449783654 /nfs/dbraw/zinc/78/36/54/449783654.db2.gz YEJLZLUWZBGZHG-JKSUJKDBSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH+](C)C2CCCCC2)[C@@H](C)CO1 ZINC000617726536 449783656 /nfs/dbraw/zinc/78/36/56/449783656.db2.gz YEJLZLUWZBGZHG-JKSUJKDBSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1C[NH+](CCNC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](C)CO1 ZINC000617726536 449783662 /nfs/dbraw/zinc/78/36/62/449783662.db2.gz YEJLZLUWZBGZHG-JKSUJKDBSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1C[NH+](CCNC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](C)CO1 ZINC000617726536 449783669 /nfs/dbraw/zinc/78/36/69/449783669.db2.gz YEJLZLUWZBGZHG-JKSUJKDBSA-N 2 1 325.497 1.866 20 0 EDADMP CCn1ccnc1CN1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000601316731 449826315 /nfs/dbraw/zinc/82/63/15/449826315.db2.gz LPBKUFPQSSSBKH-HNNXBMFYSA-N 2 1 348.495 1.213 20 0 EDADMP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H]1C[NH3+] ZINC000601326846 449835300 /nfs/dbraw/zinc/83/53/00/449835300.db2.gz QTHQPWUOEOSUBP-KZUMUSTHSA-N 2 1 348.491 1.308 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H]1C[NH3+] ZINC000601326846 449835304 /nfs/dbraw/zinc/83/53/04/449835304.db2.gz QTHQPWUOEOSUBP-KZUMUSTHSA-N 2 1 348.491 1.308 20 0 EDADMP COC(=O)[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602772440 449795853 /nfs/dbraw/zinc/79/58/53/449795853.db2.gz JNWWDZFFKFDBHS-PKOBYXMFSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602772440 449795857 /nfs/dbraw/zinc/79/58/57/449795857.db2.gz JNWWDZFFKFDBHS-PKOBYXMFSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602772440 449795861 /nfs/dbraw/zinc/79/58/61/449795861.db2.gz JNWWDZFFKFDBHS-PKOBYXMFSA-N 2 1 332.444 1.508 20 0 EDADMP COC(=O)[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602772440 449795865 /nfs/dbraw/zinc/79/58/65/449795865.db2.gz JNWWDZFFKFDBHS-PKOBYXMFSA-N 2 1 332.444 1.508 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000602889900 449897449 /nfs/dbraw/zinc/89/74/49/449897449.db2.gz FYAQOXZMDOZNBZ-GOSISDBHSA-N 2 1 348.447 1.113 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000602889900 449897453 /nfs/dbraw/zinc/89/74/53/449897453.db2.gz FYAQOXZMDOZNBZ-GOSISDBHSA-N 2 1 348.447 1.113 20 0 EDADMP C[C@@]1(NC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000612905214 449935274 /nfs/dbraw/zinc/93/52/74/449935274.db2.gz ZNNFJFJVLBBFNP-FUHWJXTLSA-N 2 1 348.516 1.655 20 0 EDADMP C[C@@]1(NC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000612905214 449935279 /nfs/dbraw/zinc/93/52/79/449935279.db2.gz ZNNFJFJVLBBFNP-FUHWJXTLSA-N 2 1 348.516 1.655 20 0 EDADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](CCc2cccs2)CC1 ZINC000612966957 449961804 /nfs/dbraw/zinc/96/18/04/449961804.db2.gz VWMJHFFPXPNGAP-MRXNPFEDSA-N 2 1 348.516 1.760 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000615309056 450057469 /nfs/dbraw/zinc/05/74/69/450057469.db2.gz PJILHKKDAMHOCQ-SZVBFZGTSA-N 2 1 331.460 1.174 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(C)CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585588 450085362 /nfs/dbraw/zinc/08/53/62/450085362.db2.gz FQZUKRQZDRFRQM-CABCVRRESA-N 2 1 339.480 1.060 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000618550770 450239686 /nfs/dbraw/zinc/23/96/86/450239686.db2.gz IVKHWLDXKKOZON-SJORKVTESA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000618555991 450242231 /nfs/dbraw/zinc/24/22/31/450242231.db2.gz RHWZAUXVBJELRE-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCc2sccc2C1 ZINC000618555991 450242236 /nfs/dbraw/zinc/24/22/36/450242236.db2.gz RHWZAUXVBJELRE-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CCC[NH+](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000618555991 450242241 /nfs/dbraw/zinc/24/22/41/450242241.db2.gz RHWZAUXVBJELRE-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CCC[NH+](C)C1)[N@H+]1CCc2sccc2C1 ZINC000618555991 450242247 /nfs/dbraw/zinc/24/22/47/450242247.db2.gz RHWZAUXVBJELRE-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCSC1 ZINC000618665860 450268606 /nfs/dbraw/zinc/26/86/06/450268606.db2.gz QJCCVYZTUAVPNI-ZBFHGGJFSA-N 2 1 325.522 1.947 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCSC1 ZINC000618665860 450268607 /nfs/dbraw/zinc/26/86/07/450268607.db2.gz QJCCVYZTUAVPNI-ZBFHGGJFSA-N 2 1 325.522 1.947 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCSC1 ZINC000618665860 450268610 /nfs/dbraw/zinc/26/86/10/450268610.db2.gz QJCCVYZTUAVPNI-ZBFHGGJFSA-N 2 1 325.522 1.947 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000618903513 450332583 /nfs/dbraw/zinc/33/25/83/450332583.db2.gz IKHOCBOCMHYIPS-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000618903513 450332586 /nfs/dbraw/zinc/33/25/86/450332586.db2.gz IKHOCBOCMHYIPS-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000618903513 450332591 /nfs/dbraw/zinc/33/25/91/450332591.db2.gz IKHOCBOCMHYIPS-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619972806 450389140 /nfs/dbraw/zinc/38/91/40/450389140.db2.gz YHKJYQRDLIHPMZ-BRWVUGGUSA-N 2 1 335.492 1.620 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619972806 450389144 /nfs/dbraw/zinc/38/91/44/450389144.db2.gz YHKJYQRDLIHPMZ-BRWVUGGUSA-N 2 1 335.492 1.620 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CN2CCCCCC2=O)CC1 ZINC000620243919 450457330 /nfs/dbraw/zinc/45/73/30/450457330.db2.gz HMPILGOTQBLJEB-UHFFFAOYSA-N 2 1 345.447 1.175 20 0 EDADMP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000621014132 450573115 /nfs/dbraw/zinc/57/31/15/450573115.db2.gz IXBAINXWSMRWDG-MSOLQXFVSA-N 2 1 328.460 1.928 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000620623754 450522128 /nfs/dbraw/zinc/52/21/28/450522128.db2.gz HGFHNEHEBYGVDM-UHFFFAOYSA-N 2 1 347.507 1.684 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNCc1ccc(Br)cn1 ZINC000623618133 450552400 /nfs/dbraw/zinc/55/24/00/450552400.db2.gz FKWITZYHGZNXNX-ZDUSSCGKSA-N 2 1 341.253 1.274 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNCc1ccc(Br)cn1 ZINC000623618133 450552401 /nfs/dbraw/zinc/55/24/01/450552401.db2.gz FKWITZYHGZNXNX-ZDUSSCGKSA-N 2 1 341.253 1.274 20 0 EDADMP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000621014132 450573112 /nfs/dbraw/zinc/57/31/12/450573112.db2.gz IXBAINXWSMRWDG-MSOLQXFVSA-N 2 1 328.460 1.928 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC3CC3)C1)C2 ZINC000621110931 450583107 /nfs/dbraw/zinc/58/31/07/450583107.db2.gz YRZSKPHXYNHNIV-IAGOWNOFSA-N 2 1 330.476 1.992 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000621110931 450583110 /nfs/dbraw/zinc/58/31/10/450583110.db2.gz YRZSKPHXYNHNIV-IAGOWNOFSA-N 2 1 330.476 1.992 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627257527 450586112 /nfs/dbraw/zinc/58/61/12/450586112.db2.gz ISVYEMPMKNVQRI-SJORKVTESA-N 2 1 325.497 1.556 20 0 EDADMP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000633129017 450701904 /nfs/dbraw/zinc/70/19/04/450701904.db2.gz IRABBFLRHTWTCC-LSDHHAIUSA-N 2 1 326.485 1.221 20 0 EDADMP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000633129017 450701910 /nfs/dbraw/zinc/70/19/10/450701910.db2.gz IRABBFLRHTWTCC-LSDHHAIUSA-N 2 1 326.485 1.221 20 0 EDADMP O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000635161064 450705951 /nfs/dbraw/zinc/70/59/51/450705951.db2.gz XWOKJEQVDWVLMR-RTBURBONSA-N 2 1 343.471 1.584 20 0 EDADMP O=C([C@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000635161064 450705954 /nfs/dbraw/zinc/70/59/54/450705954.db2.gz XWOKJEQVDWVLMR-RTBURBONSA-N 2 1 343.471 1.584 20 0 EDADMP O=C([C@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000635161064 450705959 /nfs/dbraw/zinc/70/59/59/450705959.db2.gz XWOKJEQVDWVLMR-RTBURBONSA-N 2 1 343.471 1.584 20 0 EDADMP O[C@@H](C[NH2+][C@H]1CCN(c2c(F)cccc2F)C1)C[NH+]1CCCC1 ZINC000629562240 450737281 /nfs/dbraw/zinc/73/72/81/450737281.db2.gz CMKDPDGVRPJGNM-KBPBESRZSA-N 2 1 325.403 1.590 20 0 EDADMP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccc(Br)cc1 ZINC000629576059 450743878 /nfs/dbraw/zinc/74/38/78/450743878.db2.gz LJKYDTZZKKSGHC-UHFFFAOYSA-N 2 1 330.226 1.295 20 0 EDADMP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccc(Br)cc1 ZINC000629576059 450743882 /nfs/dbraw/zinc/74/38/82/450743882.db2.gz LJKYDTZZKKSGHC-UHFFFAOYSA-N 2 1 330.226 1.295 20 0 EDADMP O[C@H](C[NH2+]CCN1CCc2c(Cl)cccc2C1)C[NH+]1CCCC1 ZINC000629575564 450744534 /nfs/dbraw/zinc/74/45/34/450744534.db2.gz JCGTUSSCEFOMDP-MRXNPFEDSA-N 2 1 337.895 1.744 20 0 EDADMP CC[C@H](C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000629613455 450762504 /nfs/dbraw/zinc/76/25/04/450762504.db2.gz ARVFBKZSSVMCGJ-QGZVFWFLSA-N 2 1 332.492 1.436 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631843687 450812995 /nfs/dbraw/zinc/81/29/95/450812995.db2.gz RNPPVXHZSKHNFV-HUUCEWRRSA-N 2 1 335.448 1.107 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631843687 450812997 /nfs/dbraw/zinc/81/29/97/450812997.db2.gz RNPPVXHZSKHNFV-HUUCEWRRSA-N 2 1 335.448 1.107 20 0 EDADMP O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000621668837 450824579 /nfs/dbraw/zinc/82/45/79/450824579.db2.gz SXJUQYFLIMDLEG-GVDBMIGSSA-N 2 1 335.492 1.526 20 0 EDADMP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)co2)c1 ZINC000631827407 450799793 /nfs/dbraw/zinc/79/97/93/450799793.db2.gz NSJAHAWXZYENCN-QGZVFWFLSA-N 2 1 342.443 1.830 20 0 EDADMP COc1cccc(-c2nc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)co2)c1 ZINC000631827407 450799799 /nfs/dbraw/zinc/79/97/99/450799799.db2.gz NSJAHAWXZYENCN-QGZVFWFLSA-N 2 1 342.443 1.830 20 0 EDADMP [NH3+][C@H]1CCCCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000631834528 450804380 /nfs/dbraw/zinc/80/43/80/450804380.db2.gz ZDYCQRMOFATTTR-KRWDZBQOSA-N 2 1 345.491 1.324 20 0 EDADMP [NH3+][C@H]1CCCCC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000631834528 450804383 /nfs/dbraw/zinc/80/43/83/450804383.db2.gz ZDYCQRMOFATTTR-KRWDZBQOSA-N 2 1 345.491 1.324 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(OC)n[nH]1 ZINC000626700000 450857936 /nfs/dbraw/zinc/85/79/36/450857936.db2.gz CBFIKWZRUMFCOV-CYBMUJFWSA-N 2 1 338.456 1.298 20 0 EDADMP CN(CCOCC[NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000626923487 451007438 /nfs/dbraw/zinc/00/74/38/451007438.db2.gz UJLYBGBHQRLCTD-HNNXBMFYSA-N 2 1 342.871 1.559 20 0 EDADMP [NH3+]CCCOCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000626939484 451020017 /nfs/dbraw/zinc/02/00/17/451020017.db2.gz GBPKCZXDWYJYEM-KRWDZBQOSA-N 2 1 334.464 1.316 20 0 EDADMP CC(C)CC[NH+]1CCC(CNS(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000632079628 451020271 /nfs/dbraw/zinc/02/02/71/451020271.db2.gz YJJQMWUUWZTZSM-UHFFFAOYSA-N 2 1 345.553 1.758 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000626946152 451025892 /nfs/dbraw/zinc/02/58/92/451025892.db2.gz MDBYLFQBHPIFEK-NVXWUHKLSA-N 2 1 334.464 1.357 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000626953622 451030817 /nfs/dbraw/zinc/03/08/17/451030817.db2.gz XQNDPGDWMHDXDR-MRXNPFEDSA-N 2 1 348.491 1.311 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000626952956 451031651 /nfs/dbraw/zinc/03/16/51/451031651.db2.gz JXLLWSCGKNMZEG-RVKKMQEKSA-N 2 1 330.476 1.873 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[NH2+]1 ZINC000626968808 451041137 /nfs/dbraw/zinc/04/11/37/451041137.db2.gz LIFBOHGBNLOBTG-QRQLOZEOSA-N 2 1 344.503 1.991 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635580181 451079932 /nfs/dbraw/zinc/07/99/32/451079932.db2.gz VTGVGKPWQBVZPA-IAGOWNOFSA-N 2 1 345.491 1.050 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635580181 451079937 /nfs/dbraw/zinc/07/99/37/451079937.db2.gz VTGVGKPWQBVZPA-IAGOWNOFSA-N 2 1 345.491 1.050 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635580180 451080164 /nfs/dbraw/zinc/08/01/64/451080164.db2.gz VTGVGKPWQBVZPA-DLBZAZTESA-N 2 1 345.491 1.050 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635580180 451080168 /nfs/dbraw/zinc/08/01/68/451080168.db2.gz VTGVGKPWQBVZPA-DLBZAZTESA-N 2 1 345.491 1.050 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000627016621 451082070 /nfs/dbraw/zinc/08/20/70/451082070.db2.gz OJCLSXLAUCUZAI-ZWKOTPCHSA-N 2 1 346.475 1.185 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccc2ccccc2c1 ZINC000627082812 451115915 /nfs/dbraw/zinc/11/59/15/451115915.db2.gz MDADXBIYXLGMGT-ZWKOTPCHSA-N 2 1 342.443 1.205 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627176354 451166088 /nfs/dbraw/zinc/16/60/88/451166088.db2.gz RJPHYYNEQZWBTE-INIZCTEOSA-N 2 1 334.464 1.138 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000627176354 451166095 /nfs/dbraw/zinc/16/60/95/451166095.db2.gz RJPHYYNEQZWBTE-INIZCTEOSA-N 2 1 334.464 1.138 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)CC(C)(C)C ZINC000635704382 451184820 /nfs/dbraw/zinc/18/48/20/451184820.db2.gz HTUKEMWVYWJNMW-IAGOWNOFSA-N 2 1 339.524 1.848 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635738502 451207961 /nfs/dbraw/zinc/20/79/61/451207961.db2.gz UCQZWJBQSGUYFM-KRWDZBQOSA-N 2 1 331.460 1.648 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635738502 451207965 /nfs/dbraw/zinc/20/79/65/451207965.db2.gz UCQZWJBQSGUYFM-KRWDZBQOSA-N 2 1 331.460 1.648 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC[N@@H+]1CCOC ZINC000635753221 451220650 /nfs/dbraw/zinc/22/06/50/451220650.db2.gz PGQHHSKGEKTNIR-MSOLQXFVSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC[N@H+]1CCOC ZINC000635753221 451220653 /nfs/dbraw/zinc/22/06/53/451220653.db2.gz PGQHHSKGEKTNIR-MSOLQXFVSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1CCOC ZINC000635753221 451220657 /nfs/dbraw/zinc/22/06/57/451220657.db2.gz PGQHHSKGEKTNIR-MSOLQXFVSA-N 2 1 337.508 1.963 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC[NH+]1CCOC ZINC000635753221 451220660 /nfs/dbraw/zinc/22/06/60/451220660.db2.gz PGQHHSKGEKTNIR-MSOLQXFVSA-N 2 1 337.508 1.963 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000635782909 451236250 /nfs/dbraw/zinc/23/62/50/451236250.db2.gz NZUFSZBBGBTRQC-SFHVURJKSA-N 2 1 337.508 1.679 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638086928 451251775 /nfs/dbraw/zinc/25/17/75/451251775.db2.gz XPFUVWBRZJHJML-MOPGFXCFSA-N 2 1 346.519 1.682 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638086928 451251783 /nfs/dbraw/zinc/25/17/83/451251783.db2.gz XPFUVWBRZJHJML-MOPGFXCFSA-N 2 1 346.519 1.682 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638086928 451251788 /nfs/dbraw/zinc/25/17/88/451251788.db2.gz XPFUVWBRZJHJML-MOPGFXCFSA-N 2 1 346.519 1.682 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638086928 451251796 /nfs/dbraw/zinc/25/17/96/451251796.db2.gz XPFUVWBRZJHJML-MOPGFXCFSA-N 2 1 346.519 1.682 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638086928 451251803 /nfs/dbraw/zinc/25/18/03/451251803.db2.gz XPFUVWBRZJHJML-MOPGFXCFSA-N 2 1 346.519 1.682 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000638117353 451285172 /nfs/dbraw/zinc/28/51/72/451285172.db2.gz TWJDNDCTOMSQRO-FUHWJXTLSA-N 2 1 333.476 1.946 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CN3CC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000638122506 451292560 /nfs/dbraw/zinc/29/25/60/451292560.db2.gz PXTWKYISYIXSPR-IYBDPMFKSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CN3CC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000638122506 451292563 /nfs/dbraw/zinc/29/25/63/451292563.db2.gz PXTWKYISYIXSPR-IYBDPMFKSA-N 2 1 346.475 1.140 20 0 EDADMP CN(C)c1cc(NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000638133176 451304975 /nfs/dbraw/zinc/30/49/75/451304975.db2.gz IVQMDTGDGTYZCS-INIZCTEOSA-N 2 1 327.432 1.545 20 0 EDADMP CN(C)c1cc(NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000638133176 451304980 /nfs/dbraw/zinc/30/49/80/451304980.db2.gz IVQMDTGDGTYZCS-INIZCTEOSA-N 2 1 327.432 1.545 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000638141807 451316269 /nfs/dbraw/zinc/31/62/69/451316269.db2.gz IGHHKNHQPDQAJO-MOPGFXCFSA-N 2 1 344.503 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000638141807 451316274 /nfs/dbraw/zinc/31/62/74/451316274.db2.gz IGHHKNHQPDQAJO-MOPGFXCFSA-N 2 1 344.503 1.436 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638153228 451323830 /nfs/dbraw/zinc/32/38/30/451323830.db2.gz CVTWXRXSZIAWIH-HHXXYDBFSA-N 2 1 331.460 1.379 20 0 EDADMP [NH3+][C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2)C1CC1 ZINC000638155051 451325916 /nfs/dbraw/zinc/32/59/16/451325916.db2.gz RPKCRZWHUZJHMH-NLWGTHIKSA-N 2 1 343.471 1.379 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC000628669385 451364456 /nfs/dbraw/zinc/36/44/56/451364456.db2.gz GSTLXDUTTUPJEM-QGPMSJSTSA-N 2 1 331.460 1.726 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC000628669385 451364461 /nfs/dbraw/zinc/36/44/61/451364461.db2.gz GSTLXDUTTUPJEM-QGPMSJSTSA-N 2 1 331.460 1.726 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000628669385 451364465 /nfs/dbraw/zinc/36/44/65/451364465.db2.gz GSTLXDUTTUPJEM-QGPMSJSTSA-N 2 1 331.460 1.726 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000628669385 451364467 /nfs/dbraw/zinc/36/44/67/451364467.db2.gz GSTLXDUTTUPJEM-QGPMSJSTSA-N 2 1 331.460 1.726 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)CCC3C[NH2+]C3)CC2)cc1 ZINC000638272078 451390250 /nfs/dbraw/zinc/39/02/50/451390250.db2.gz HZXAWBFKNLRCNH-UHFFFAOYSA-N 2 1 331.460 1.729 20 0 EDADMP CN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC([NH3+])C1 ZINC000638254557 451383396 /nfs/dbraw/zinc/38/33/96/451383396.db2.gz CKNQFILYTHLIQW-UHFFFAOYSA-N 3 1 330.476 1.318 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(N)nc2N)CC1)CC1CC1 ZINC000638273981 451394045 /nfs/dbraw/zinc/39/40/45/451394045.db2.gz FFVFVUJBOYXGCX-UHFFFAOYSA-N 2 1 332.496 1.636 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000638286304 451402480 /nfs/dbraw/zinc/40/24/80/451402480.db2.gz POCIGPVCQSJRFA-WMEZAQDKSA-N 2 1 331.460 1.390 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000630831669 451426491 /nfs/dbraw/zinc/42/64/91/451426491.db2.gz NJCOADVURYQILT-UHFFFAOYSA-N 2 1 335.496 1.637 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000638350257 451451649 /nfs/dbraw/zinc/45/16/49/451451649.db2.gz FEDWESUFMHXIOM-ZWKOTPCHSA-N 2 1 338.455 1.362 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cncc(OC)c1C ZINC000630879670 451459090 /nfs/dbraw/zinc/45/90/90/451459090.db2.gz LHGCJTLLGKBPIB-INIZCTEOSA-N 2 1 348.491 1.887 20 0 EDADMP COC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000634713596 451494189 /nfs/dbraw/zinc/49/41/89/451494189.db2.gz YSIICEQPUAXNNM-OTWHNJEPSA-N 2 1 334.460 1.407 20 0 EDADMP COC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000634713596 451494194 /nfs/dbraw/zinc/49/41/94/451494194.db2.gz YSIICEQPUAXNNM-OTWHNJEPSA-N 2 1 334.460 1.407 20 0 EDADMP CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000638405968 451494601 /nfs/dbraw/zinc/49/46/01/451494601.db2.gz HTDBCVZNMUWMSB-ZWKOTPCHSA-N 2 1 333.476 1.633 20 0 EDADMP CC(C)(C)C(=O)NCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634702380 451477364 /nfs/dbraw/zinc/47/73/64/451477364.db2.gz GHVGUIIJOAIORY-LJQANCHMSA-N 2 1 333.476 1.375 20 0 EDADMP CC(C)(C)C(=O)NCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634702380 451477369 /nfs/dbraw/zinc/47/73/69/451477369.db2.gz GHVGUIIJOAIORY-LJQANCHMSA-N 2 1 333.476 1.375 20 0 EDADMP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634710759 451490111 /nfs/dbraw/zinc/49/01/11/451490111.db2.gz DQHUGAGUTWKKBL-OTWHNJEPSA-N 2 1 334.460 1.407 20 0 EDADMP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634710759 451490116 /nfs/dbraw/zinc/49/01/16/451490116.db2.gz DQHUGAGUTWKKBL-OTWHNJEPSA-N 2 1 334.460 1.407 20 0 EDADMP OCC[C@]1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000634721137 451501486 /nfs/dbraw/zinc/50/14/86/451501486.db2.gz UKWQAIMHDCJZOC-MOPGFXCFSA-N 2 1 334.460 1.002 20 0 EDADMP OCC[C@]1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000634721137 451501489 /nfs/dbraw/zinc/50/14/89/451501489.db2.gz UKWQAIMHDCJZOC-MOPGFXCFSA-N 2 1 334.460 1.002 20 0 EDADMP OC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000634721922 451503293 /nfs/dbraw/zinc/50/32/93/451503293.db2.gz HDUBYCDSUDHYBB-QYZOEREBSA-N 2 1 334.460 1.001 20 0 EDADMP OC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000634721922 451503296 /nfs/dbraw/zinc/50/32/96/451503296.db2.gz HDUBYCDSUDHYBB-QYZOEREBSA-N 2 1 334.460 1.001 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634763546 451533138 /nfs/dbraw/zinc/53/31/38/451533138.db2.gz YMYFRFURMYJACI-INIZCTEOSA-N 2 1 347.507 1.527 20 0 EDADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CN1CC[NH2+]CC1 ZINC000638481018 451534767 /nfs/dbraw/zinc/53/47/67/451534767.db2.gz GBUGWBVNANFYED-LJQANCHMSA-N 2 1 344.503 1.261 20 0 EDADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000638480596 451535475 /nfs/dbraw/zinc/53/54/75/451535475.db2.gz ANLPORBZMLGNJD-RTBURBONSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccccc2OCCCCO)CC1 ZINC000638547346 451571779 /nfs/dbraw/zinc/57/17/79/451571779.db2.gz BIMXMSGVZRDXSS-UHFFFAOYSA-N 2 1 349.475 1.092 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000638576681 451585576 /nfs/dbraw/zinc/58/55/76/451585576.db2.gz QPQRVAUSKXUUSQ-YNEHKIRRSA-N 2 1 326.238 1.706 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc2nccnc2c1 ZINC000634958263 451624382 /nfs/dbraw/zinc/62/43/82/451624382.db2.gz KXVNWAGBDVFNKL-GOSISDBHSA-N 2 1 341.459 1.662 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc2nccnc2c1 ZINC000634958263 451624388 /nfs/dbraw/zinc/62/43/88/451624388.db2.gz KXVNWAGBDVFNKL-GOSISDBHSA-N 2 1 341.459 1.662 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)cn2)CC1 ZINC000631255455 451665002 /nfs/dbraw/zinc/66/50/02/451665002.db2.gz QHUUNRLBJWJWCG-ZWKOTPCHSA-N 2 1 345.491 1.666 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)cn2)CC1 ZINC000631255452 451665371 /nfs/dbraw/zinc/66/53/71/451665371.db2.gz QHUUNRLBJWJWCG-QZTJIDSGSA-N 2 1 345.491 1.666 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638780730 451688957 /nfs/dbraw/zinc/68/89/57/451688957.db2.gz UOVOUDXNNGCRTR-YJBOKZPZSA-N 2 1 347.459 1.312 20 0 EDADMP CCCCc1noc([C@@H](C)n2cc(CC[NH+]3CCC([NH3+])CC3)nn2)n1 ZINC000640937455 451697847 /nfs/dbraw/zinc/69/78/47/451697847.db2.gz UBNMIVHELXJTLS-CYBMUJFWSA-N 2 1 347.467 1.579 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000638834738 451705277 /nfs/dbraw/zinc/70/52/77/451705277.db2.gz IAGJJZSRVOELKA-DOTOQJQBSA-N 2 1 331.460 1.249 20 0 EDADMP C[C@H](C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000638935599 451739810 /nfs/dbraw/zinc/73/98/10/451739810.db2.gz NYSBBVMZKKPMMP-SQWLQELKSA-N 2 1 334.439 1.284 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)cc2)CC1 ZINC000638966602 451742963 /nfs/dbraw/zinc/74/29/63/451742963.db2.gz GKAUKEUFUYKVGD-RUCARUNLSA-N 2 1 344.503 1.681 20 0 EDADMP C[C@H](c1nc2ccccc2o1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641131378 451757950 /nfs/dbraw/zinc/75/79/50/451757950.db2.gz XYCWWCWACNIKLI-CYBMUJFWSA-N 2 1 340.431 1.994 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000637263511 451774143 /nfs/dbraw/zinc/77/41/43/451774143.db2.gz HCXKUFJDNHHEQI-IMJJTQAJSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000637263511 451774144 /nfs/dbraw/zinc/77/41/44/451774144.db2.gz HCXKUFJDNHHEQI-IMJJTQAJSA-N 2 1 326.485 1.125 20 0 EDADMP CC[NH+](CC)Cc1cn(C[C@H](O)C[N@H+](C)Cc2ccccc2)nn1 ZINC000641214797 451784588 /nfs/dbraw/zinc/78/45/88/451784588.db2.gz JTEOMYAQQSVWDC-GOSISDBHSA-N 2 1 331.464 1.613 20 0 EDADMP CC[NH+](CC)Cc1cn(C[C@H](O)C[N@@H+](C)Cc2ccccc2)nn1 ZINC000641214797 451784591 /nfs/dbraw/zinc/78/45/91/451784591.db2.gz JTEOMYAQQSVWDC-GOSISDBHSA-N 2 1 331.464 1.613 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(N)nc2N)CC1)CC(C)C ZINC000639176973 451786159 /nfs/dbraw/zinc/78/61/59/451786159.db2.gz NJLNQUZXESNYCA-UHFFFAOYSA-N 2 1 334.512 1.882 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000637369298 451802900 /nfs/dbraw/zinc/80/29/00/451802900.db2.gz XTPULAZWICTAPO-DOTOQJQBSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000637369298 451802903 /nfs/dbraw/zinc/80/29/03/451802903.db2.gz XTPULAZWICTAPO-DOTOQJQBSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000637369298 451802906 /nfs/dbraw/zinc/80/29/06/451802906.db2.gz XTPULAZWICTAPO-DOTOQJQBSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000637369298 451802909 /nfs/dbraw/zinc/80/29/09/451802909.db2.gz XTPULAZWICTAPO-DOTOQJQBSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000639307049 451818083 /nfs/dbraw/zinc/81/80/83/451818083.db2.gz MDAFWSYGRHRBFE-INIZCTEOSA-N 2 1 328.545 1.083 20 0 EDADMP CCCN(C(=O)C(=O)Nc1c(C)cc(C)nc1C)[C@H]1CC[N@@H+](C)C1 ZINC000646763504 451824589 /nfs/dbraw/zinc/82/45/89/451824589.db2.gz BAGPNPKYLILPJL-HNNXBMFYSA-N 2 1 332.448 1.888 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000644521965 451837992 /nfs/dbraw/zinc/83/79/92/451837992.db2.gz JTTQTMYGAYXDPA-SJORKVTESA-N 2 1 328.497 1.645 20 0 EDADMP CCN(C(=O)NCCNc1cc(C)nc(C(C)C)n1)[C@H]1CC[N@@H+](C)C1 ZINC000637413663 451842911 /nfs/dbraw/zinc/84/29/11/451842911.db2.gz WHUACMPNSDNCEX-HNNXBMFYSA-N 2 1 348.495 2.056 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000644567348 451866165 /nfs/dbraw/zinc/86/61/65/451866165.db2.gz VSXVQEVRKIXNMB-CEXWTWQISA-N 2 1 347.503 1.716 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000644567348 451866168 /nfs/dbraw/zinc/86/61/68/451866168.db2.gz VSXVQEVRKIXNMB-CEXWTWQISA-N 2 1 347.503 1.716 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)CC2)nc(C)n1 ZINC000644585094 451879097 /nfs/dbraw/zinc/87/90/97/451879097.db2.gz GDJMMSAFYMZEJY-QGZVFWFLSA-N 2 1 333.480 1.107 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)CC2)nc(C)n1 ZINC000644585094 451879099 /nfs/dbraw/zinc/87/90/99/451879099.db2.gz GDJMMSAFYMZEJY-QGZVFWFLSA-N 2 1 333.480 1.107 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000637472916 451891322 /nfs/dbraw/zinc/89/13/22/451891322.db2.gz MXGSXPIXSJWRAE-KRWDZBQOSA-N 2 1 338.496 1.367 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000637472916 451891329 /nfs/dbraw/zinc/89/13/29/451891329.db2.gz MXGSXPIXSJWRAE-KRWDZBQOSA-N 2 1 338.496 1.367 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000644633574 451906901 /nfs/dbraw/zinc/90/69/01/451906901.db2.gz JNXMGRHPNBAPKS-HXUWFJFHSA-N 3 1 331.504 1.943 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000644633574 451906909 /nfs/dbraw/zinc/90/69/09/451906909.db2.gz JNXMGRHPNBAPKS-HXUWFJFHSA-N 3 1 331.504 1.943 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)c3cccc(CN4CC[NH+](C)CC4)c3)[C@H]2C1 ZINC000646934903 451949748 /nfs/dbraw/zinc/94/97/48/451949748.db2.gz XNKNKXAFXIJEKD-MOPGFXCFSA-N 2 1 342.487 1.210 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cccc4c3CCOC4)CC2)C1 ZINC000639530797 451926811 /nfs/dbraw/zinc/92/68/11/451926811.db2.gz KJKTWRRDAIUJOQ-IBGZPJMESA-N 2 1 329.488 1.971 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cccc4c3CCOC4)CC2)C1 ZINC000639530797 451926815 /nfs/dbraw/zinc/92/68/15/451926815.db2.gz KJKTWRRDAIUJOQ-IBGZPJMESA-N 2 1 329.488 1.971 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)cc2)CC1 ZINC000646914959 451933420 /nfs/dbraw/zinc/93/34/20/451933420.db2.gz HAVJSBBHNQQXGH-MJGOQNOKSA-N 2 1 342.487 1.605 20 0 EDADMP C[N@H+](CCc1cnccn1)[C@H]1CCC[NH+](CCc2cnccn2)CC1 ZINC000639547066 451938971 /nfs/dbraw/zinc/93/89/71/451938971.db2.gz PSXVPGJLNQCDGK-IBGZPJMESA-N 2 1 340.475 1.838 20 0 EDADMP C[N@@H+](CCc1cnccn1)[C@H]1CCC[NH+](CCc2cnccn2)CC1 ZINC000639547066 451938976 /nfs/dbraw/zinc/93/89/76/451938976.db2.gz PSXVPGJLNQCDGK-IBGZPJMESA-N 2 1 340.475 1.838 20 0 EDADMP C[NH+](CCc1cnccn1)[C@H]1CCC[N@H+](CCc2cnccn2)CC1 ZINC000639547066 451938981 /nfs/dbraw/zinc/93/89/81/451938981.db2.gz PSXVPGJLNQCDGK-IBGZPJMESA-N 2 1 340.475 1.838 20 0 EDADMP C[NH+](CCc1cnccn1)[C@H]1CCC[N@@H+](CCc2cnccn2)CC1 ZINC000639547066 451938984 /nfs/dbraw/zinc/93/89/84/451938984.db2.gz PSXVPGJLNQCDGK-IBGZPJMESA-N 2 1 340.475 1.838 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CCN2CC[NH2+]CC2)cc1)C(C)C ZINC000649271811 451944317 /nfs/dbraw/zinc/94/43/17/451944317.db2.gz YZYLPTAXZULTES-UHFFFAOYSA-N 2 1 346.519 1.894 20 0 EDADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)ccc21 ZINC000651610501 451958565 /nfs/dbraw/zinc/95/85/65/451958565.db2.gz GIYCERBKJAOTBL-WBVHZDCISA-N 2 1 344.459 1.384 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)CC[NH+](C)C ZINC000637601668 451966900 /nfs/dbraw/zinc/96/69/00/451966900.db2.gz BOBFCSLLQVVMCK-AEFFLSMTSA-N 2 1 332.492 1.958 20 0 EDADMP COCCC1(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000649306850 451984102 /nfs/dbraw/zinc/98/41/02/451984102.db2.gz TVUCZLRZHGBDNT-HOTGVXAUSA-N 2 1 325.497 1.629 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]2C[NH2+]CCC2(F)F)C[C@H](C)O1 ZINC000649308135 451984571 /nfs/dbraw/zinc/98/45/71/451984571.db2.gz NZRSVMVJHUFMHR-LJISPDSOSA-N 2 1 345.434 1.331 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H]2C[NH2+]CCC2(F)F)C[C@H](C)O1 ZINC000649308135 451984577 /nfs/dbraw/zinc/98/45/77/451984577.db2.gz NZRSVMVJHUFMHR-LJISPDSOSA-N 2 1 345.434 1.331 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000649308432 451985069 /nfs/dbraw/zinc/98/50/69/451985069.db2.gz GRWINQINWVJJDI-OAHLLOKOSA-N 2 1 344.459 1.402 20 0 EDADMP Cc1cncc(CCC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000644795709 451994003 /nfs/dbraw/zinc/99/40/03/451994003.db2.gz ANDVRFLYESCYMK-KRWDZBQOSA-N 2 1 330.476 1.607 20 0 EDADMP Cc1cncc(CCC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000644795709 451994006 /nfs/dbraw/zinc/99/40/06/451994006.db2.gz ANDVRFLYESCYMK-KRWDZBQOSA-N 2 1 330.476 1.607 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000649322859 452001456 /nfs/dbraw/zinc/00/14/56/452001456.db2.gz QXTCPNZAORAXLO-GOSISDBHSA-N 2 1 327.472 1.908 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)cc1)[NH+]1CCOCC1 ZINC000649322638 452001555 /nfs/dbraw/zinc/00/15/55/452001555.db2.gz BOBWYXGOYAGWEU-ZBFHGGJFSA-N 2 1 333.432 1.254 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCC[N@@H+](C)C2CCCC2)cnn1C ZINC000649323173 452004123 /nfs/dbraw/zinc/00/41/23/452004123.db2.gz KESNAFPLZILYRF-SJORKVTESA-N 2 1 333.480 1.022 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)NCC3=CC[N@@H+](C)CC3)cn2)CC1 ZINC000637666556 452007513 /nfs/dbraw/zinc/00/75/13/452007513.db2.gz CYDSURVVRMYQOY-UHFFFAOYSA-N 2 1 332.452 1.533 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@]3(N)CC[NH+](C)C3)c2)C[C@H](C)O1 ZINC000649337888 452018699 /nfs/dbraw/zinc/01/86/99/452018699.db2.gz ZKFMQOUYMUVVDV-KHYOSLBOSA-N 2 1 346.475 1.267 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@]3(N)CC[NH+](C)C3)c2)C[C@H](C)O1 ZINC000649337888 452018705 /nfs/dbraw/zinc/01/87/05/452018705.db2.gz ZKFMQOUYMUVVDV-KHYOSLBOSA-N 2 1 346.475 1.267 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@]3(N)CC[N@H+](C)C3)c2)C[C@H](C)O1 ZINC000649337888 452018715 /nfs/dbraw/zinc/01/87/15/452018715.db2.gz ZKFMQOUYMUVVDV-KHYOSLBOSA-N 2 1 346.475 1.267 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@]3(N)CC[N@@H+](C)C3)c2)C[C@H](C)O1 ZINC000649337888 452018723 /nfs/dbraw/zinc/01/87/23/452018723.db2.gz ZKFMQOUYMUVVDV-KHYOSLBOSA-N 2 1 346.475 1.267 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C[C@@H](C)O1 ZINC000639681915 452021441 /nfs/dbraw/zinc/02/14/41/452021441.db2.gz IDXZTRHTBSJGRD-HZPDHXFCSA-N 2 1 332.448 1.230 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)C[C@@H](C)O1 ZINC000639681915 452021448 /nfs/dbraw/zinc/02/14/48/452021448.db2.gz IDXZTRHTBSJGRD-HZPDHXFCSA-N 2 1 332.448 1.230 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)COC3(C)C[NH2+]C3)cc2)C1 ZINC000649345839 452028185 /nfs/dbraw/zinc/02/81/85/452028185.db2.gz PEILSTBJEYKELR-OAHLLOKOSA-N 2 1 347.459 1.724 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@]3(N)CC[N@@H+](C)C3)c(C)c2)CC1 ZINC000649348930 452031893 /nfs/dbraw/zinc/03/18/93/452031893.db2.gz HBWPWCGDDHMEOG-IBGZPJMESA-N 2 1 345.491 1.108 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000649351799 452036023 /nfs/dbraw/zinc/03/60/23/452036023.db2.gz SXLYCIKFLDMODX-AWEZNQCLSA-N 3 1 329.448 1.162 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1CCC([NH3+])CC1 ZINC000649352921 452038010 /nfs/dbraw/zinc/03/80/10/452038010.db2.gz UUAJXPLLNPEIRL-AOCRQIFASA-N 2 1 344.503 1.831 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@]2(N)CC[NH+](C)C2)CC1 ZINC000649378635 452051548 /nfs/dbraw/zinc/05/15/48/452051548.db2.gz PUPYQSLPQHXZOJ-APWZRJJASA-N 2 1 336.524 1.523 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@]2(N)CC[N@H+](C)C2)CC1 ZINC000649378635 452051553 /nfs/dbraw/zinc/05/15/53/452051553.db2.gz PUPYQSLPQHXZOJ-APWZRJJASA-N 2 1 336.524 1.523 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@]2(N)CC[N@@H+](C)C2)CC1 ZINC000649378635 452051558 /nfs/dbraw/zinc/05/15/58/452051558.db2.gz PUPYQSLPQHXZOJ-APWZRJJASA-N 2 1 336.524 1.523 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@]2([NH3+])CCN(C)C2)CC1 ZINC000649378635 452051563 /nfs/dbraw/zinc/05/15/63/452051563.db2.gz PUPYQSLPQHXZOJ-APWZRJJASA-N 2 1 336.524 1.523 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@]2([NH3+])CCN(C)C2)CC1 ZINC000649378635 452051569 /nfs/dbraw/zinc/05/15/69/452051569.db2.gz PUPYQSLPQHXZOJ-APWZRJJASA-N 2 1 336.524 1.523 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)c1nccnc1N(C)C[C@@H]1CCC[NH+]1C ZINC000643197847 452063789 /nfs/dbraw/zinc/06/37/89/452063789.db2.gz DPURJPWMOJKSNS-IYBDPMFKSA-N 2 1 332.496 1.537 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)c1nccnc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000643197847 452063797 /nfs/dbraw/zinc/06/37/97/452063797.db2.gz DPURJPWMOJKSNS-IYBDPMFKSA-N 2 1 332.496 1.537 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)c1nccnc1N(C)C[C@@H]1CCC[N@H+]1C ZINC000643197847 452063805 /nfs/dbraw/zinc/06/38/05/452063805.db2.gz DPURJPWMOJKSNS-IYBDPMFKSA-N 2 1 332.496 1.537 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)CC1 ZINC000639748981 452091085 /nfs/dbraw/zinc/09/10/85/452091085.db2.gz PJHVRTSAMAISGF-QGZVFWFLSA-N 2 1 338.540 1.638 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000639769256 452112118 /nfs/dbraw/zinc/11/21/18/452112118.db2.gz WPRHHCPLAQEAHT-IAGOWNOFSA-N 2 1 326.868 1.632 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000639769256 452112122 /nfs/dbraw/zinc/11/21/22/452112122.db2.gz WPRHHCPLAQEAHT-IAGOWNOFSA-N 2 1 326.868 1.632 20 0 EDADMP CCNS(=O)(=O)c1ccccc1NCC[N@H+](C)CCC[NH+](C)C ZINC000641656270 452173624 /nfs/dbraw/zinc/17/36/24/452173624.db2.gz FJKSUEASGJSOTP-UHFFFAOYSA-N 2 1 342.509 1.280 20 0 EDADMP CCNS(=O)(=O)c1ccccc1NCC[N@@H+](C)CCC[NH+](C)C ZINC000641656270 452173627 /nfs/dbraw/zinc/17/36/27/452173627.db2.gz FJKSUEASGJSOTP-UHFFFAOYSA-N 2 1 342.509 1.280 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000643479497 452244962 /nfs/dbraw/zinc/24/49/62/452244962.db2.gz IVEJFWFPVPUCIH-DAXOMENPSA-N 2 1 329.423 1.987 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000641801164 452274872 /nfs/dbraw/zinc/27/48/72/452274872.db2.gz ARRTWCNIQZXUBT-ZJUUUORDSA-N 2 1 327.226 1.498 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)C2=O)c1 ZINC000641801889 452277334 /nfs/dbraw/zinc/27/73/34/452277334.db2.gz GMSYYFUZTWQCSQ-ARFHVFGLSA-N 2 1 333.432 1.525 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641803800 452280001 /nfs/dbraw/zinc/28/00/01/452280001.db2.gz HSGQRXKVGKCAOU-DLBZAZTESA-N 2 1 333.476 1.943 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487261 452286195 /nfs/dbraw/zinc/28/61/95/452286195.db2.gz CALAULDFKXPPOV-MPTYRVRUSA-N 2 1 325.497 1.898 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487261 452286204 /nfs/dbraw/zinc/28/62/04/452286204.db2.gz CALAULDFKXPPOV-MPTYRVRUSA-N 2 1 325.497 1.898 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641808134 452287889 /nfs/dbraw/zinc/28/78/89/452287889.db2.gz SRQOVNUVAKBMSJ-NQERCMRGSA-N 2 1 349.475 1.985 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1F ZINC000641809680 452291417 /nfs/dbraw/zinc/29/14/17/452291417.db2.gz YMPXABJJCZZNSJ-KNXALSJPSA-N 2 1 337.439 1.897 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCC2 ZINC000643548085 452307220 /nfs/dbraw/zinc/30/72/20/452307220.db2.gz MDSDNMXQJACISK-WMLDXEAASA-N 2 1 349.500 1.976 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)[C@@H](C)C1 ZINC000659456947 452308382 /nfs/dbraw/zinc/30/83/82/452308382.db2.gz USXDUDIJCUQKII-VUGNNNGISA-N 2 1 338.496 1.256 20 0 EDADMP Cc1nc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c(C)c(C)[nH+]1 ZINC000665743783 452313323 /nfs/dbraw/zinc/31/33/23/452313323.db2.gz AAYUDAWXSMAJBX-UHFFFAOYSA-N 2 1 333.480 1.610 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665757334 452323202 /nfs/dbraw/zinc/32/32/02/452323202.db2.gz FZDFSMLAMHYQAT-DLBZAZTESA-N 3 1 341.544 1.430 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665757334 452323212 /nfs/dbraw/zinc/32/32/12/452323212.db2.gz FZDFSMLAMHYQAT-DLBZAZTESA-N 3 1 341.544 1.430 20 0 EDADMP Cc1ccc(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc1 ZINC000665761986 452336912 /nfs/dbraw/zinc/33/69/12/452336912.db2.gz WQRLEJOFROPGDM-INIZCTEOSA-N 2 1 335.496 1.803 20 0 EDADMP Cc1ccc(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc1 ZINC000665761986 452336921 /nfs/dbraw/zinc/33/69/21/452336921.db2.gz WQRLEJOFROPGDM-INIZCTEOSA-N 2 1 335.496 1.803 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000652147061 452340366 /nfs/dbraw/zinc/34/03/66/452340366.db2.gz GLHXJDXSJPPHTO-INIZCTEOSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000638059067 452348296 /nfs/dbraw/zinc/34/82/96/452348296.db2.gz XZYMTYYDLFSDDG-SFHVURJKSA-N 2 1 333.476 1.899 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000659493908 452356641 /nfs/dbraw/zinc/35/66/41/452356641.db2.gz YFKSMMPVJLBBBY-MWQQHZPXSA-N 2 1 334.439 1.730 20 0 EDADMP CCC(=O)N1CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000657594601 452360659 /nfs/dbraw/zinc/36/06/59/452360659.db2.gz JAEUDTSYLNARIJ-IBGZPJMESA-N 2 1 345.487 1.744 20 0 EDADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc4n(n3)CCC4)cc2)C1 ZINC000657597592 452365837 /nfs/dbraw/zinc/36/58/37/452365837.db2.gz VGJSCDMBTMBMRI-IBGZPJMESA-N 2 1 326.444 1.686 20 0 EDADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc4n(n3)CCC4)cc2)C1 ZINC000657597592 452365843 /nfs/dbraw/zinc/36/58/43/452365843.db2.gz VGJSCDMBTMBMRI-IBGZPJMESA-N 2 1 326.444 1.686 20 0 EDADMP COc1cc(Cl)ccc1CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051491 452393973 /nfs/dbraw/zinc/39/39/73/452393973.db2.gz OESIFVBKBXISRX-UHFFFAOYSA-N 2 1 325.840 1.554 20 0 EDADMP [NH3+]C[C@@]1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCCOC1 ZINC000638081298 452398090 /nfs/dbraw/zinc/39/80/90/452398090.db2.gz WZWSYJBRODXYQY-ICSRJNTNSA-N 2 1 345.487 1.913 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652202491 452400574 /nfs/dbraw/zinc/40/05/74/452400574.db2.gz LKJNJOGBVYMGAH-ZWKOTPCHSA-N 2 1 330.476 1.554 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652202491 452400580 /nfs/dbraw/zinc/40/05/80/452400580.db2.gz LKJNJOGBVYMGAH-ZWKOTPCHSA-N 2 1 330.476 1.554 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000647679246 452413559 /nfs/dbraw/zinc/41/35/59/452413559.db2.gz UQWMHYUYTLSDGW-MSOLQXFVSA-N 2 1 334.508 1.290 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000647679246 452413567 /nfs/dbraw/zinc/41/35/67/452413567.db2.gz UQWMHYUYTLSDGW-MSOLQXFVSA-N 2 1 334.508 1.290 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000647679246 452413574 /nfs/dbraw/zinc/41/35/74/452413574.db2.gz UQWMHYUYTLSDGW-MSOLQXFVSA-N 2 1 334.508 1.290 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000652224643 452417093 /nfs/dbraw/zinc/41/70/93/452417093.db2.gz DPVHAUBHIMWTKM-UHFFFAOYSA-N 2 1 328.501 1.504 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654374353 452425576 /nfs/dbraw/zinc/42/55/76/452425576.db2.gz HZFQUBMMVIYQNU-LUKYLMHMSA-N 2 1 340.512 1.658 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659576209 452430962 /nfs/dbraw/zinc/43/09/62/452430962.db2.gz GBFWCFGVJKBSFG-KZNAEPCWSA-N 2 1 330.476 1.868 20 0 EDADMP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CC[NH+](C2CC2)CC1 ZINC000659591332 452448072 /nfs/dbraw/zinc/44/80/72/452448072.db2.gz IKPDGTQWFGVYDQ-ROUUACIJSA-N 2 1 346.450 1.761 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000652337750 452508901 /nfs/dbraw/zinc/50/89/01/452508901.db2.gz JDXKCVRCXDDTKK-GOSISDBHSA-N 2 1 330.432 1.886 20 0 EDADMP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000652356526 452533868 /nfs/dbraw/zinc/53/38/68/452533868.db2.gz PHRIYUKPCHDUHU-BMGDILEWSA-N 2 1 331.460 1.255 20 0 EDADMP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000652356526 452533878 /nfs/dbraw/zinc/53/38/78/452533878.db2.gz PHRIYUKPCHDUHU-BMGDILEWSA-N 2 1 331.460 1.255 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652362322 452545580 /nfs/dbraw/zinc/54/55/80/452545580.db2.gz DLVQJPFMUZFLKK-OAGGEKHMSA-N 2 1 349.479 1.336 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652362322 452545587 /nfs/dbraw/zinc/54/55/87/452545587.db2.gz DLVQJPFMUZFLKK-OAGGEKHMSA-N 2 1 349.479 1.336 20 0 EDADMP CCC[C@@H](C)C(=O)NCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655770396 452568931 /nfs/dbraw/zinc/56/89/31/452568931.db2.gz JBCOIJZXZRLDTF-WBVHZDCISA-N 2 1 325.497 1.772 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000663849593 452576057 /nfs/dbraw/zinc/57/60/57/452576057.db2.gz KZAAZSQZWYKXNZ-MAUKXSAKSA-N 2 1 348.491 1.393 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@H]2C)CC1 ZINC000650187848 452583104 /nfs/dbraw/zinc/58/31/04/452583104.db2.gz DYQWXOVWCSHNOU-IEBWSBKVSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](O)[C@H]2C)CC1 ZINC000650187848 452583111 /nfs/dbraw/zinc/58/31/11/452583111.db2.gz DYQWXOVWCSHNOU-IEBWSBKVSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](O)[C@H]2C)CC1 ZINC000650187848 452583119 /nfs/dbraw/zinc/58/31/19/452583119.db2.gz DYQWXOVWCSHNOU-IEBWSBKVSA-N 2 1 345.487 1.484 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1CC1 ZINC000663919454 452644517 /nfs/dbraw/zinc/64/45/17/452644517.db2.gz BTUYNQOMUTYDRQ-MRXNPFEDSA-N 2 1 326.485 1.223 20 0 EDADMP Cn1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1=O ZINC000647913668 452651698 /nfs/dbraw/zinc/65/16/98/452651698.db2.gz GWVUIWVPLJMSRK-GOSISDBHSA-N 2 1 326.444 1.925 20 0 EDADMP Cn1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1=O ZINC000647913668 452651710 /nfs/dbraw/zinc/65/17/10/452651710.db2.gz GWVUIWVPLJMSRK-GOSISDBHSA-N 2 1 326.444 1.925 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)n2ccnc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583198 452667713 /nfs/dbraw/zinc/66/77/13/452667713.db2.gz KEPAPEKCUPFULE-ARILJUKYSA-N 2 1 335.452 1.686 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)n2ccnc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583198 452667717 /nfs/dbraw/zinc/66/77/17/452667717.db2.gz KEPAPEKCUPFULE-ARILJUKYSA-N 2 1 335.452 1.686 20 0 EDADMP Cc1cc(CNC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)n1 ZINC000654594668 452680641 /nfs/dbraw/zinc/68/06/41/452680641.db2.gz GGHIGMMJSOXKSC-OAGGEKHMSA-N 2 1 334.464 1.995 20 0 EDADMP Cc1cc(CNC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)n1 ZINC000654594668 452680651 /nfs/dbraw/zinc/68/06/51/452680651.db2.gz GGHIGMMJSOXKSC-OAGGEKHMSA-N 2 1 334.464 1.995 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661981401 452733940 /nfs/dbraw/zinc/73/39/40/452733940.db2.gz JSQXXKQFGIZWAV-KRWDZBQOSA-N 2 1 349.479 1.476 20 0 EDADMP C[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969053 452749731 /nfs/dbraw/zinc/74/97/31/452749731.db2.gz MRTMAPGSFJAWLV-SOUVJXGZSA-N 2 1 334.464 1.442 20 0 EDADMP C[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969053 452749739 /nfs/dbraw/zinc/74/97/39/452749739.db2.gz MRTMAPGSFJAWLV-SOUVJXGZSA-N 2 1 334.464 1.442 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652499 452756567 /nfs/dbraw/zinc/75/65/67/452756567.db2.gz NJYSJRZQPPJRPS-JONQDZQNSA-N 2 1 326.485 1.077 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652499 452756576 /nfs/dbraw/zinc/75/65/76/452756576.db2.gz NJYSJRZQPPJRPS-JONQDZQNSA-N 2 1 326.485 1.077 20 0 EDADMP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000645786962 452788655 /nfs/dbraw/zinc/78/86/55/452788655.db2.gz NZANNERZHGNFGD-MOPGFXCFSA-N 2 1 345.487 1.783 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3COC(C)(C)C3)CC2)CC1 ZINC000659912145 452801720 /nfs/dbraw/zinc/80/17/20/452801720.db2.gz KJFTVDGRRJJKCJ-QGZVFWFLSA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000650561693 452842304 /nfs/dbraw/zinc/84/23/04/452842304.db2.gz WHUSGCSPFACCNF-SFHVURJKSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000650561693 452842314 /nfs/dbraw/zinc/84/23/14/452842314.db2.gz WHUSGCSPFACCNF-SFHVURJKSA-N 2 1 330.476 1.649 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648130068 452845173 /nfs/dbraw/zinc/84/51/73/452845173.db2.gz GPYGYHSQSRISKI-KBPBESRZSA-N 2 1 339.386 1.413 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)COC2(C)C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000648168007 452877621 /nfs/dbraw/zinc/87/76/21/452877621.db2.gz MVEOJCJONPWTIW-SJLPKXTDSA-N 2 1 345.487 1.782 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000662144462 452879413 /nfs/dbraw/zinc/87/94/13/452879413.db2.gz FHCZRSOWEIJOGV-LJQANCHMSA-N 2 1 334.508 1.846 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCOCc2ccccc2)CC1 ZINC000660013147 452923424 /nfs/dbraw/zinc/92/34/24/452923424.db2.gz PCBUJBZZQLQMAN-GOSISDBHSA-N 2 1 331.460 1.442 20 0 EDADMP CC[C@H](C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C ZINC000652813725 452974022 /nfs/dbraw/zinc/97/40/22/452974022.db2.gz KBMASEZRIVDDJA-QYZOEREBSA-N 2 1 345.487 1.829 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664296395 452975139 /nfs/dbraw/zinc/97/51/39/452975139.db2.gz KRCGYUFPCBLFRG-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP COC1CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000654869980 452992234 /nfs/dbraw/zinc/99/22/34/452992234.db2.gz RLKJJSOMCYLMEI-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1)[C@H]1CCC[NH2+]1 ZINC000662265572 452996218 /nfs/dbraw/zinc/99/62/18/452996218.db2.gz RHBVUGHYSJZOIE-CZUORRHYSA-N 2 1 332.448 1.632 20 0 EDADMP C(c1nnnn1CC1CCOCC1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293753 453016502 /nfs/dbraw/zinc/01/65/02/453016502.db2.gz NFNYWAGWKMZUFB-KRWDZBQOSA-N 2 1 348.495 1.311 20 0 EDADMP C(c1nnnn1CC1CCOCC1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293753 453016509 /nfs/dbraw/zinc/01/65/09/453016509.db2.gz NFNYWAGWKMZUFB-KRWDZBQOSA-N 2 1 348.495 1.311 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662307766 453027438 /nfs/dbraw/zinc/02/74/38/453027438.db2.gz ZBEFLMDBMDIRGW-OALUTQOASA-N 2 1 329.488 1.756 20 0 EDADMP CN(CCc1ccccc1)[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662307766 453027445 /nfs/dbraw/zinc/02/74/45/453027445.db2.gz ZBEFLMDBMDIRGW-OALUTQOASA-N 2 1 329.488 1.756 20 0 EDADMP CN(CCc1ccccc1)[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662307766 453027448 /nfs/dbraw/zinc/02/74/48/453027448.db2.gz ZBEFLMDBMDIRGW-OALUTQOASA-N 2 1 329.488 1.756 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)[C@@H]1CCC[NH3+] ZINC000662316297 453033301 /nfs/dbraw/zinc/03/33/01/453033301.db2.gz VVMRIKKDBLSKGX-BPQIPLTHSA-N 2 1 345.487 1.946 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000666660856 453046508 /nfs/dbraw/zinc/04/65/08/453046508.db2.gz VKZKDOVEBHYYGY-JKSUJKDBSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666660856 453046518 /nfs/dbraw/zinc/04/65/18/453046518.db2.gz VKZKDOVEBHYYGY-JKSUJKDBSA-N 2 1 338.496 1.101 20 0 EDADMP Cc1nc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)oc1C ZINC000662336370 453052964 /nfs/dbraw/zinc/05/29/64/453052964.db2.gz CVYJUFBSAUYMPB-HNNXBMFYSA-N 2 1 344.463 1.804 20 0 EDADMP Cc1nc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)oc1C ZINC000662336370 453052972 /nfs/dbraw/zinc/05/29/72/453052972.db2.gz CVYJUFBSAUYMPB-HNNXBMFYSA-N 2 1 344.463 1.804 20 0 EDADMP Cc1nc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cs1 ZINC000662338972 453055930 /nfs/dbraw/zinc/05/59/30/453055930.db2.gz XWTKGZDFFCXFRK-CQSZACIVSA-N 2 1 346.504 1.964 20 0 EDADMP Cc1nc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cs1 ZINC000662338972 453055941 /nfs/dbraw/zinc/05/59/41/453055941.db2.gz XWTKGZDFFCXFRK-CQSZACIVSA-N 2 1 346.504 1.964 20 0 EDADMP C[C@H]1CC2(C[N@H+]1CC(=O)NC1CC[NH+](C3CC3)CC1)CCOCC2 ZINC000646100956 453101362 /nfs/dbraw/zinc/10/13/62/453101362.db2.gz SLNISVMSCPDUQF-HNNXBMFYSA-N 2 1 335.492 1.620 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C(C)(C)C1 ZINC000652925892 453106798 /nfs/dbraw/zinc/10/67/98/453106798.db2.gz DNDXZEWWKWZVLR-OAGGEKHMSA-N 2 1 325.497 1.817 20 0 EDADMP COCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C(C)(C)C1 ZINC000652925892 453106807 /nfs/dbraw/zinc/10/68/07/453106807.db2.gz DNDXZEWWKWZVLR-OAGGEKHMSA-N 2 1 325.497 1.817 20 0 EDADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000666754341 453117832 /nfs/dbraw/zinc/11/78/32/453117832.db2.gz LGFXKKNLJZYARJ-IAGOWNOFSA-N 2 1 340.512 1.253 20 0 EDADMP C[N@H+](CCNC(=O)c1sc2c(c1Br)C[NH2+]C2)C1CC1 ZINC000662410387 453122280 /nfs/dbraw/zinc/12/22/80/453122280.db2.gz YXSQKJYMZWMRFT-UHFFFAOYSA-N 2 1 344.278 1.938 20 0 EDADMP C[N@@H+](CCNC(=O)c1sc2c(c1Br)C[NH2+]C2)C1CC1 ZINC000662410387 453122283 /nfs/dbraw/zinc/12/22/83/453122283.db2.gz YXSQKJYMZWMRFT-UHFFFAOYSA-N 2 1 344.278 1.938 20 0 EDADMP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662413958 453123744 /nfs/dbraw/zinc/12/37/44/453123744.db2.gz MIFSVQBEEWVBJZ-AWEZNQCLSA-N 2 1 340.265 1.907 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@@H]4OCCC[C@H]34)CC2)CC1 ZINC000655019489 453141489 /nfs/dbraw/zinc/14/14/89/453141489.db2.gz XCCZVZMGERNMIO-QRVBRYPASA-N 2 1 349.519 1.866 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662459394 453168536 /nfs/dbraw/zinc/16/85/36/453168536.db2.gz YNOPTLFRZSIODC-CQSZACIVSA-N 2 1 334.468 1.197 20 0 EDADMP CC(C)[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000664575446 453209502 /nfs/dbraw/zinc/20/95/02/453209502.db2.gz BEXZBBZJWJBILI-YESZJQIVSA-N 2 1 342.528 1.761 20 0 EDADMP CC(C)[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000664575446 453209505 /nfs/dbraw/zinc/20/95/05/453209505.db2.gz BEXZBBZJWJBILI-YESZJQIVSA-N 2 1 342.528 1.761 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000648731741 453218737 /nfs/dbraw/zinc/21/87/37/453218737.db2.gz MLOLHCNYSFVIFU-IEBWSBKVSA-N 2 1 344.503 1.655 20 0 EDADMP [NH3+]C1CCC(NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000666906541 453230499 /nfs/dbraw/zinc/23/04/99/453230499.db2.gz RPZWEINWEYPNJG-UHFFFAOYSA-N 2 1 346.475 1.953 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)[C@@H]1c1ccc(Cl)cc1 ZINC000662512500 453230906 /nfs/dbraw/zinc/23/09/06/453230906.db2.gz QJBHCOQRISGWRT-HIFRSBDPSA-N 2 1 348.838 1.065 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)c2cn(CC[NH3+])nn2)[C@@H]1c1ccc(Cl)cc1 ZINC000662512500 453230922 /nfs/dbraw/zinc/23/09/22/453230922.db2.gz QJBHCOQRISGWRT-HIFRSBDPSA-N 2 1 348.838 1.065 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@H]1CCO[C@H](C)C1 ZINC000664639211 453275211 /nfs/dbraw/zinc/27/52/11/453275211.db2.gz DLOKALLFTOSWJE-BBWFWOEESA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@H]1CCO[C@H](C)C1 ZINC000664639211 453275219 /nfs/dbraw/zinc/27/52/19/453275219.db2.gz DLOKALLFTOSWJE-BBWFWOEESA-N 2 1 342.528 1.763 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000648790434 453278741 /nfs/dbraw/zinc/27/87/41/453278741.db2.gz MNRHWCQXMQSQER-MRXNPFEDSA-N 2 1 348.491 1.967 20 0 EDADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC1CCC([NH+]2CCNCC2)CC1 ZINC000662572786 453299585 /nfs/dbraw/zinc/29/95/85/453299585.db2.gz ZDJHJRFBHNOXJV-TVPLGVNVSA-N 2 1 342.487 1.554 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000653119616 453309296 /nfs/dbraw/zinc/30/92/96/453309296.db2.gz PTOVBBAXCKNIHG-BHIYHBOVSA-N 2 1 346.519 1.777 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@H+]1Cc1ccccc1 ZINC000653122672 453312545 /nfs/dbraw/zinc/31/25/45/453312545.db2.gz ATDHEYGTTSGWJV-KPFFTGBYSA-N 2 1 343.471 1.345 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)(N2CCCCC2)CC1 ZINC000653124868 453318802 /nfs/dbraw/zinc/31/88/02/453318802.db2.gz JNPBVEPKHUELMU-ZWKOTPCHSA-N 2 1 348.535 1.584 20 0 EDADMP C[C@H](C(=O)N1CCC([NH+]2CCOC[C@H]2C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000646320115 453318763 /nfs/dbraw/zinc/31/87/63/453318763.db2.gz VWHVCFPKWOSBJE-YYIAUSFCSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@H](C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000646320115 453318772 /nfs/dbraw/zinc/31/87/72/453318772.db2.gz VWHVCFPKWOSBJE-YYIAUSFCSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@H](C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000646320115 453318781 /nfs/dbraw/zinc/31/87/81/453318781.db2.gz VWHVCFPKWOSBJE-YYIAUSFCSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CC[N@H+]1C ZINC000648869778 453345246 /nfs/dbraw/zinc/34/52/46/453345246.db2.gz DOFJBRAICFFQKY-BPQIPLTHSA-N 2 1 330.476 1.702 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CC[NH+]1C ZINC000648869778 453345267 /nfs/dbraw/zinc/34/52/67/453345267.db2.gz DOFJBRAICFFQKY-BPQIPLTHSA-N 2 1 330.476 1.702 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CC[NH+]1C ZINC000648869778 453345275 /nfs/dbraw/zinc/34/52/75/453345275.db2.gz DOFJBRAICFFQKY-BPQIPLTHSA-N 2 1 330.476 1.702 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000651194567 453347263 /nfs/dbraw/zinc/34/72/63/453347263.db2.gz JWRXHUIGTXAMMH-UHFFFAOYSA-N 2 1 341.544 1.243 20 0 EDADMP CC(C)C[N@H+](C)CCCNC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000651194567 453347268 /nfs/dbraw/zinc/34/72/68/453347268.db2.gz JWRXHUIGTXAMMH-UHFFFAOYSA-N 2 1 341.544 1.243 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000651194567 453347274 /nfs/dbraw/zinc/34/72/74/453347274.db2.gz JWRXHUIGTXAMMH-UHFFFAOYSA-N 2 1 341.544 1.243 20 0 EDADMP CO[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C1CCCC1 ZINC000667054347 453369758 /nfs/dbraw/zinc/36/97/58/453369758.db2.gz FKXKFRIWCCUNSH-QGZVFWFLSA-N 2 1 332.448 1.977 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000662667717 453380356 /nfs/dbraw/zinc/38/03/56/453380356.db2.gz DGXBQPUUENANIC-GOEBONIOSA-N 2 1 346.479 1.339 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000653202614 453395679 /nfs/dbraw/zinc/39/56/79/453395679.db2.gz PDRKKGJDKPRMQI-SFNKJDCFSA-N 2 1 346.519 1.775 20 0 EDADMP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C[C@@H]1O ZINC000664808756 453420115 /nfs/dbraw/zinc/42/01/15/453420115.db2.gz GHQXEELXHAQEFG-IKGGRYGDSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000646476475 453423607 /nfs/dbraw/zinc/42/36/07/453423607.db2.gz SFEDLUFCITYHIA-ALYAQQCSSA-N 2 1 325.497 1.671 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000646476475 453423612 /nfs/dbraw/zinc/42/36/12/453423612.db2.gz SFEDLUFCITYHIA-ALYAQQCSSA-N 2 1 325.497 1.671 20 0 EDADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000646484356 453430380 /nfs/dbraw/zinc/43/03/80/453430380.db2.gz PKJDAQPXRHIHGD-NEWSRXKRSA-N 2 1 344.503 1.526 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662730026 453456591 /nfs/dbraw/zinc/45/65/91/453456591.db2.gz YZMCWMHYSBVRFU-KSZLIROESA-N 2 1 331.460 1.331 20 0 EDADMP Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc(C(N)=O)c1 ZINC000667190803 453465822 /nfs/dbraw/zinc/46/58/22/453465822.db2.gz ZIMYDSDHZYRGLN-AWEZNQCLSA-N 2 1 349.479 1.487 20 0 EDADMP Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc(C(N)=O)c1 ZINC000667190803 453465832 /nfs/dbraw/zinc/46/58/32/453465832.db2.gz ZIMYDSDHZYRGLN-AWEZNQCLSA-N 2 1 349.479 1.487 20 0 EDADMP CN(C)c1cc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc[nH+]1 ZINC000662750561 453481830 /nfs/dbraw/zinc/48/18/30/453481830.db2.gz NQYKQNXEZNJDJI-CYBMUJFWSA-N 2 1 329.408 1.306 20 0 EDADMP Cc1csc2nc(CN3CCC[C@]4(CC[N@H+](C)C4)C3)cc(=O)n12 ZINC000660655003 453490566 /nfs/dbraw/zinc/49/05/66/453490566.db2.gz DWDMBDYIDXDCEX-QGZVFWFLSA-N 2 1 332.473 1.982 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)CC2([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000662756526 453494420 /nfs/dbraw/zinc/49/44/20/453494420.db2.gz IOQQYIAUYRXNCC-QGZVFWFLSA-N 2 1 330.476 1.363 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)CC2([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000662756526 453494427 /nfs/dbraw/zinc/49/44/27/453494427.db2.gz IOQQYIAUYRXNCC-QGZVFWFLSA-N 2 1 330.476 1.363 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)CC2([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000662756526 453494431 /nfs/dbraw/zinc/49/44/31/453494431.db2.gz IOQQYIAUYRXNCC-QGZVFWFLSA-N 2 1 330.476 1.363 20 0 EDADMP [NH3+][C@@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc(F)cc1F ZINC000662763913 453501760 /nfs/dbraw/zinc/50/17/60/453501760.db2.gz JYQUQZPPWGZLER-MEDUHNTESA-N 2 1 332.354 1.814 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000660692347 453518414 /nfs/dbraw/zinc/51/84/14/453518414.db2.gz OTYSJQNMMHQKIM-RDJZCZTQSA-N 2 1 338.496 1.271 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000660705659 453532256 /nfs/dbraw/zinc/53/22/56/453532256.db2.gz IVFDPAXXUNWYGJ-ROUUACIJSA-N 2 1 346.475 1.281 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000660705659 453532261 /nfs/dbraw/zinc/53/22/61/453532261.db2.gz IVFDPAXXUNWYGJ-ROUUACIJSA-N 2 1 346.475 1.281 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000660705659 453532269 /nfs/dbraw/zinc/53/22/69/453532269.db2.gz IVFDPAXXUNWYGJ-ROUUACIJSA-N 2 1 346.475 1.281 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660732778 453551546 /nfs/dbraw/zinc/55/15/46/453551546.db2.gz ASGBRERTVJPYCT-QGZVFWFLSA-N 2 1 349.479 1.524 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662845524 453566840 /nfs/dbraw/zinc/56/68/40/453566840.db2.gz JDOVTOIRPAULNM-SFHVURJKSA-N 2 1 336.524 1.252 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000662845842 453567232 /nfs/dbraw/zinc/56/72/32/453567232.db2.gz LQVGBZULIGEGAG-HNNXBMFYSA-N 2 1 333.480 1.198 20 0 EDADMP Cc1ccc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc1 ZINC000665080607 453568579 /nfs/dbraw/zinc/56/85/79/453568579.db2.gz DJCRRJHAQWYZCS-INIZCTEOSA-N 2 1 335.496 1.504 20 0 EDADMP Cc1ccc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc1 ZINC000665080607 453568585 /nfs/dbraw/zinc/56/85/85/453568585.db2.gz DJCRRJHAQWYZCS-INIZCTEOSA-N 2 1 335.496 1.504 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659034597 453591309 /nfs/dbraw/zinc/59/13/09/453591309.db2.gz OWNHGOYXZFQQRI-IAGOWNOFSA-N 2 1 348.447 1.190 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000660828847 453593187 /nfs/dbraw/zinc/59/31/87/453593187.db2.gz ATKDCTPEAGOZRR-CVEARBPZSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000660828847 453593193 /nfs/dbraw/zinc/59/31/93/453593193.db2.gz ATKDCTPEAGOZRR-CVEARBPZSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000660828847 453593200 /nfs/dbraw/zinc/59/32/00/453593200.db2.gz ATKDCTPEAGOZRR-CVEARBPZSA-N 2 1 339.528 1.042 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)ccc1C[NH+](C)C ZINC000662907670 453597596 /nfs/dbraw/zinc/59/75/96/453597596.db2.gz QKXATHUFWFTUPD-AWEZNQCLSA-N 2 1 346.475 1.453 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)cs1 ZINC000662943940 453619469 /nfs/dbraw/zinc/61/94/69/453619469.db2.gz FLOZLGXFTWVNLP-HUUCEWRRSA-N 2 1 340.468 1.561 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@H](N)c3ccccc32)CC1 ZINC000665289327 453636634 /nfs/dbraw/zinc/63/66/34/453636634.db2.gz LKQGXXCNUXGCOD-ZWKOTPCHSA-N 2 1 330.476 1.711 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000665289327 453636638 /nfs/dbraw/zinc/63/66/38/453636638.db2.gz LKQGXXCNUXGCOD-ZWKOTPCHSA-N 2 1 330.476 1.711 20 0 EDADMP C[C@H]1C[C@@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000665292162 453639032 /nfs/dbraw/zinc/63/90/32/453639032.db2.gz USXFKHSOTAYIDH-XJKSGUPXSA-N 2 1 327.432 1.394 20 0 EDADMP CN(C(=O)c1sc2c(c1Br)C[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000659298412 453706638 /nfs/dbraw/zinc/70/66/38/453706638.db2.gz WWLLQDQLJLETFW-SSDOTTSWSA-N 2 1 330.251 1.548 20 0 EDADMP CN(C(=O)c1sc2c(c1Br)C[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000659298413 453707022 /nfs/dbraw/zinc/70/70/22/453707022.db2.gz WWLLQDQLJLETFW-ZETCQYMHSA-N 2 1 330.251 1.548 20 0 EDADMP CC1(NC(=O)c2sc3c(c2Br)C[NH2+]C3)CC[NH2+]CC1 ZINC000659306334 453709126 /nfs/dbraw/zinc/70/91/26/453709126.db2.gz GBCAVKAHLLFFTP-UHFFFAOYSA-N 2 1 344.278 1.986 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H](CC(F)(F)F)O1 ZINC000663505872 453812194 /nfs/dbraw/zinc/81/21/94/453812194.db2.gz DPXMKSPGDNODOV-UPJWGTAASA-N 2 1 337.386 1.225 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H](CC(F)(F)F)O1 ZINC000663505872 453812197 /nfs/dbraw/zinc/81/21/97/453812197.db2.gz DPXMKSPGDNODOV-UPJWGTAASA-N 2 1 337.386 1.225 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000683224584 486661700 /nfs/dbraw/zinc/66/17/00/486661700.db2.gz MNXCEEBEMQKXLX-QZTJIDSGSA-N 2 1 326.440 1.942 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000683224584 486661705 /nfs/dbraw/zinc/66/17/05/486661705.db2.gz MNXCEEBEMQKXLX-QZTJIDSGSA-N 2 1 326.440 1.942 20 0 EDADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000683346206 486693879 /nfs/dbraw/zinc/69/38/79/486693879.db2.gz XHRVAGDANCOSLE-HOTGVXAUSA-N 2 1 344.463 1.814 20 0 EDADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000683346206 486693884 /nfs/dbraw/zinc/69/38/84/486693884.db2.gz XHRVAGDANCOSLE-HOTGVXAUSA-N 2 1 344.463 1.814 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000676244845 486705477 /nfs/dbraw/zinc/70/54/77/486705477.db2.gz CQAYQTAAUDSUQK-SOLBZPMBSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000676244845 486705479 /nfs/dbraw/zinc/70/54/79/486705479.db2.gz CQAYQTAAUDSUQK-SOLBZPMBSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000676244845 486705483 /nfs/dbraw/zinc/70/54/83/486705483.db2.gz CQAYQTAAUDSUQK-SOLBZPMBSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000676244845 486705486 /nfs/dbraw/zinc/70/54/86/486705486.db2.gz CQAYQTAAUDSUQK-SOLBZPMBSA-N 2 1 348.491 1.525 20 0 EDADMP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000676306694 486730340 /nfs/dbraw/zinc/73/03/40/486730340.db2.gz NCIUUIQQUSSZBP-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000676306694 486730344 /nfs/dbraw/zinc/73/03/44/486730344.db2.gz NCIUUIQQUSSZBP-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000676306694 486730348 /nfs/dbraw/zinc/73/03/48/486730348.db2.gz NCIUUIQQUSSZBP-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676306694 486730352 /nfs/dbraw/zinc/73/03/52/486730352.db2.gz NCIUUIQQUSSZBP-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000416882459 486788175 /nfs/dbraw/zinc/78/81/75/486788175.db2.gz MZOVYDSTBIPTGS-QZTJIDSGSA-N 2 1 346.475 1.588 20 0 EDADMP C[NH2+]CCN(C)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417264928 486796355 /nfs/dbraw/zinc/79/63/55/486796355.db2.gz ATKDVFRUWXJXJH-OAHLLOKOSA-N 2 1 334.464 1.268 20 0 EDADMP C[NH2+]CCN(C)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417264928 486796360 /nfs/dbraw/zinc/79/63/60/486796360.db2.gz ATKDVFRUWXJXJH-OAHLLOKOSA-N 2 1 334.464 1.268 20 0 EDADMP C[NH2+]CCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000417996494 486820524 /nfs/dbraw/zinc/82/05/24/486820524.db2.gz SLRLTJOWABLIGL-MSOLQXFVSA-N 2 1 346.475 1.834 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000683820760 486827721 /nfs/dbraw/zinc/82/77/21/486827721.db2.gz YNWJFZZSSBDZDM-KRWDZBQOSA-N 2 1 344.459 1.543 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000683820760 486827725 /nfs/dbraw/zinc/82/77/25/486827725.db2.gz YNWJFZZSSBDZDM-KRWDZBQOSA-N 2 1 344.459 1.543 20 0 EDADMP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H](C)[NH3+])c2C1 ZINC000667559386 486845609 /nfs/dbraw/zinc/84/56/09/486845609.db2.gz LCQFPLHWGGHMDO-STQMWFEESA-N 2 1 332.448 1.449 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000430998499 486900857 /nfs/dbraw/zinc/90/08/57/486900857.db2.gz CBHBXOOCGMZDJR-RBUKOAKNSA-N 2 1 344.503 1.438 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H](c2ccccc2)C1 ZINC000431025479 486902681 /nfs/dbraw/zinc/90/26/81/486902681.db2.gz SYFLVIGUSQPXCY-QYZOEREBSA-N 2 1 344.503 1.609 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H](c2ccccc2)C1 ZINC000431025479 486902686 /nfs/dbraw/zinc/90/26/86/486902686.db2.gz SYFLVIGUSQPXCY-QYZOEREBSA-N 2 1 344.503 1.609 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H](c2ccccc2)C1 ZINC000431025479 486902692 /nfs/dbraw/zinc/90/26/92/486902692.db2.gz SYFLVIGUSQPXCY-QYZOEREBSA-N 2 1 344.503 1.609 20 0 EDADMP O=C(Nc1cccc2c1CC[NH2+]C2)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000667753199 486949425 /nfs/dbraw/zinc/94/94/25/486949425.db2.gz HJNQDFLPWZZQDC-MRXNPFEDSA-N 2 1 344.459 1.661 20 0 EDADMP O=C(Nc1cccc2c1CC[NH2+]C2)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000667753198 486950006 /nfs/dbraw/zinc/95/00/06/486950006.db2.gz HJNQDFLPWZZQDC-INIZCTEOSA-N 2 1 344.459 1.661 20 0 EDADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CNc3ccnn3C2)C1 ZINC000684201669 486984442 /nfs/dbraw/zinc/98/44/42/486984442.db2.gz QILFQCPDLUBCIM-QZTJIDSGSA-N 2 1 340.475 1.774 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CNc3ccnn3C2)C1 ZINC000684201669 486984447 /nfs/dbraw/zinc/98/44/47/486984447.db2.gz QILFQCPDLUBCIM-QZTJIDSGSA-N 2 1 340.475 1.774 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H]2CNc3ccnn3C2)C1 ZINC000684201669 486984455 /nfs/dbraw/zinc/98/44/55/486984455.db2.gz QILFQCPDLUBCIM-QZTJIDSGSA-N 2 1 340.475 1.774 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H]2CNc3ccnn3C2)C1 ZINC000684201669 486984459 /nfs/dbraw/zinc/98/44/59/486984459.db2.gz QILFQCPDLUBCIM-QZTJIDSGSA-N 2 1 340.475 1.774 20 0 EDADMP CS(=O)(=O)CCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000675290310 487395878 /nfs/dbraw/zinc/39/58/78/487395878.db2.gz YSHQBDOXIWCFJI-UHFFFAOYSA-N 2 1 332.510 1.246 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679506750 487433323 /nfs/dbraw/zinc/43/33/23/487433323.db2.gz ZVVSDVXGQHPREV-ZDUSSCGKSA-N 2 1 344.419 1.052 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679506750 487433327 /nfs/dbraw/zinc/43/33/27/487433327.db2.gz ZVVSDVXGQHPREV-ZDUSSCGKSA-N 2 1 344.419 1.052 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@H]1CCCC[NH2+]1 ZINC000669573809 485607453 /nfs/dbraw/zinc/60/74/53/485607453.db2.gz AMPMJAPRLFKBSD-QZTJIDSGSA-N 2 1 330.476 1.950 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669591330 485647787 /nfs/dbraw/zinc/64/77/87/485647787.db2.gz QKLKOWJFGICSAH-IAGOWNOFSA-N 2 1 338.496 1.130 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000668508665 485824025 /nfs/dbraw/zinc/82/40/25/485824025.db2.gz HPNZNNJJPSRQJC-SJORKVTESA-N 2 1 338.496 1.130 20 0 EDADMP C[NH+](C)C1(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000668627596 485967374 /nfs/dbraw/zinc/96/73/74/485967374.db2.gz SYZHVMFZJZLAAZ-UHFFFAOYSA-N 2 1 325.522 1.949 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000669472297 486225593 /nfs/dbraw/zinc/22/55/93/486225593.db2.gz SBKNMQNJIVUQTG-RHSMWYFYSA-N 2 1 333.480 1.859 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000669491359 486263309 /nfs/dbraw/zinc/26/33/09/486263309.db2.gz WPWLIAAAOODYSX-DLBZAZTESA-N 2 1 334.508 1.890 20 0 EDADMP O=C(NCCC[NH2+]Cc1cccnc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491232 486263558 /nfs/dbraw/zinc/26/35/58/486263558.db2.gz QTFGXOGXXPAYMF-KRWDZBQOSA-N 2 1 331.464 1.345 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390854541 486479343 /nfs/dbraw/zinc/47/93/43/486479343.db2.gz FUWYZCXJBQMKNB-OKZBNKHCSA-N 2 1 331.460 1.521 20 0 EDADMP CN(C(=O)CN1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074447020 491014478 /nfs/dbraw/zinc/01/44/78/491014478.db2.gz CJXVWYDJUNXHOJ-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CN(C(=O)CN1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074447020 491014479 /nfs/dbraw/zinc/01/44/79/491014479.db2.gz CJXVWYDJUNXHOJ-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729642 528465002 /nfs/dbraw/zinc/46/50/02/528465002.db2.gz JGSXHBDPOCDHNO-KRWDZBQOSA-N 2 1 326.529 1.449 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000236794433 535059136 /nfs/dbraw/zinc/05/91/36/535059136.db2.gz CWSJKWPBZXXFQF-IRXDYDNUSA-N 2 1 346.475 1.775 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2C2CCC2)C1 ZINC000245994438 535116902 /nfs/dbraw/zinc/11/69/02/535116902.db2.gz AYUIADWSSXDHCE-MSOLQXFVSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H]2C2CCC2)C1 ZINC000245994438 535116905 /nfs/dbraw/zinc/11/69/05/535116905.db2.gz AYUIADWSSXDHCE-MSOLQXFVSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H]2C2CCC2)C1 ZINC000245994438 535116913 /nfs/dbraw/zinc/11/69/13/535116913.db2.gz AYUIADWSSXDHCE-MSOLQXFVSA-N 2 1 337.508 1.724 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCC[NH+](CC)CC)CC[N@H+]1CCOC ZINC000347048231 535429490 /nfs/dbraw/zinc/42/94/90/535429490.db2.gz CKLAHHQPWWWVNF-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000332687075 535767887 /nfs/dbraw/zinc/76/78/87/535767887.db2.gz OCJGEIAKPFHTGI-PVAVHDDUSA-N 2 1 331.460 1.946 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000332687075 535767889 /nfs/dbraw/zinc/76/78/89/535767889.db2.gz OCJGEIAKPFHTGI-PVAVHDDUSA-N 2 1 331.460 1.946 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C1([NH3+])CCCC1 ZINC000237137791 536372291 /nfs/dbraw/zinc/37/22/91/536372291.db2.gz GOEZOLWZCXEHTR-UHFFFAOYSA-N 2 1 330.476 1.539 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333624533 536374563 /nfs/dbraw/zinc/37/45/63/536374563.db2.gz AIEYQJWZPQJJBT-BZUAXINKSA-N 2 1 338.496 1.127 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333624533 536374566 /nfs/dbraw/zinc/37/45/66/536374566.db2.gz AIEYQJWZPQJJBT-BZUAXINKSA-N 2 1 338.496 1.127 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)CC[C@@H]21 ZINC000262804303 536380200 /nfs/dbraw/zinc/38/02/00/536380200.db2.gz PORIMHJHUOOWNC-INMHGKMJSA-N 2 1 331.464 1.364 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000332529480 536409450 /nfs/dbraw/zinc/40/94/50/536409450.db2.gz GPDVQPZGBSCXLT-INIZCTEOSA-N 2 1 346.479 1.456 20 0 EDADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC[NH+]2CCSCC2)C1 ZINC000353394443 536471413 /nfs/dbraw/zinc/47/14/13/536471413.db2.gz FIQNFUPSDJGTFU-LSDHHAIUSA-N 2 1 326.510 1.161 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC[NH+]2CCSCC2)C1 ZINC000353394443 536471417 /nfs/dbraw/zinc/47/14/17/536471417.db2.gz FIQNFUPSDJGTFU-LSDHHAIUSA-N 2 1 326.510 1.161 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[NH+](C)C1 ZINC000347305979 536777137 /nfs/dbraw/zinc/77/71/37/536777137.db2.gz LMNYFTRBWKNZPD-BHYGNILZSA-N 2 1 338.496 1.364 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[N@H+](C)C1 ZINC000347305979 536777144 /nfs/dbraw/zinc/77/71/44/536777144.db2.gz LMNYFTRBWKNZPD-BHYGNILZSA-N 2 1 338.496 1.364 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[N@@H+](C)C1 ZINC000347305979 536777150 /nfs/dbraw/zinc/77/71/50/536777150.db2.gz LMNYFTRBWKNZPD-BHYGNILZSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000247313778 536859475 /nfs/dbraw/zinc/85/94/75/536859475.db2.gz MBDCRNANJFWQRY-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000247313778 536859480 /nfs/dbraw/zinc/85/94/80/536859480.db2.gz MBDCRNANJFWQRY-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000247313778 536859483 /nfs/dbraw/zinc/85/94/83/536859483.db2.gz MBDCRNANJFWQRY-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCCCCCCO)CC2)C1 ZINC000743847077 579492296 /nfs/dbraw/zinc/49/22/96/579492296.db2.gz WMWMCFNCUXQYNX-LJQANCHMSA-N 2 1 341.540 1.656 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000743978136 579495915 /nfs/dbraw/zinc/49/59/15/579495915.db2.gz DDYOMHJRMUZXIR-HNNXBMFYSA-N 2 1 346.475 1.330 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](CC)CC)CC[N@H+]1CCOC ZINC000347065582 578645947 /nfs/dbraw/zinc/64/59/47/578645947.db2.gz IUJBFUKNEUQSSI-DLBZAZTESA-N 2 1 342.528 1.859 20 0 EDADMP CC(C)[C@H](C[NH+](C)C)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000733163114 578745305 /nfs/dbraw/zinc/74/53/05/578745305.db2.gz BQRVKVATYPJGFP-IBGZPJMESA-N 2 1 346.519 1.507 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=S)NCC(C)(C)C[NH+](C)C)C[C@@H]1C ZINC000735241838 578871363 /nfs/dbraw/zinc/87/13/63/578871363.db2.gz NTNPDSCPJXIIIV-HNNXBMFYSA-N 2 1 344.569 1.491 20 0 EDADMP CCOCC[N@H+]1CCN(C(=S)NCC(C)(C)C[NH+](C)C)C[C@@H]1C ZINC000735241838 578871364 /nfs/dbraw/zinc/87/13/64/578871364.db2.gz NTNPDSCPJXIIIV-HNNXBMFYSA-N 2 1 344.569 1.491 20 0 EDADMP C[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[NH+]1CCCC1 ZINC000736025777 578947366 /nfs/dbraw/zinc/94/73/66/578947366.db2.gz NCFSUCIWQXPODP-ZDUSSCGKSA-N 2 1 340.435 1.336 20 0 EDADMP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000748982387 579709327 /nfs/dbraw/zinc/70/93/27/579709327.db2.gz BSZXNIJPRYRQCC-RDJZCZTQSA-N 2 1 325.497 1.316 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(F)(F)C(F)F ZINC000749366127 579723071 /nfs/dbraw/zinc/72/30/71/579723071.db2.gz UTXSFUURVWPWPZ-NSHDSACASA-N 2 1 327.366 1.761 20 0 EDADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000751360036 579802955 /nfs/dbraw/zinc/80/29/55/579802955.db2.gz ZMPLAAJOSPDDNA-WMZOPIPTSA-N 2 1 331.460 1.660 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000751360036 579802957 /nfs/dbraw/zinc/80/29/57/579802957.db2.gz ZMPLAAJOSPDDNA-WMZOPIPTSA-N 2 1 331.460 1.660 20 0 EDADMP C[C@H]([NH2+]CC(=O)NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754467544 579904087 /nfs/dbraw/zinc/90/40/87/579904087.db2.gz NIQOYYQHWPCKPF-JKSUJKDBSA-N 2 1 330.476 1.940 20 0 EDADMP C[C@H]([NH2+]CC(=O)NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754467544 579904088 /nfs/dbraw/zinc/90/40/88/579904088.db2.gz NIQOYYQHWPCKPF-JKSUJKDBSA-N 2 1 330.476 1.940 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000757228737 579965920 /nfs/dbraw/zinc/96/59/20/579965920.db2.gz DPCKJDBZZUZQIJ-HNNXBMFYSA-N 2 1 336.484 1.544 20 0 EDADMP CN(C(=O)CC[NH+]1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000762547768 580077155 /nfs/dbraw/zinc/07/71/55/580077155.db2.gz MSZLMCMFQMMOMY-GOSISDBHSA-N 2 1 331.460 1.442 20 0 EDADMP CN(C(=O)CC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000762547768 580077156 /nfs/dbraw/zinc/07/71/56/580077156.db2.gz MSZLMCMFQMMOMY-GOSISDBHSA-N 2 1 331.460 1.442 20 0 EDADMP C[NH+]1CCC(NC(=S)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000763137336 580093735 /nfs/dbraw/zinc/09/37/35/580093735.db2.gz HEZFPVCNBXFVFA-HOTGVXAUSA-N 2 1 340.537 1.188 20 0 EDADMP Cc1ccccc1[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764479205 580121379 /nfs/dbraw/zinc/12/13/79/580121379.db2.gz MHWJYQLMVMGXRU-MISYRCLQSA-N 2 1 331.504 1.986 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](CO)C3CC3)CC2)cc1 ZINC000771820443 580295607 /nfs/dbraw/zinc/29/56/07/580295607.db2.gz REPDTHAQWIMOAF-LJQANCHMSA-N 2 1 345.487 1.390 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCCC3(CCCC3)C1)C2=O ZINC000783543807 580601177 /nfs/dbraw/zinc/60/11/77/580601177.db2.gz ONKWRXZFWLDUGP-UHFFFAOYSA-N 2 1 334.464 1.616 20 0 EDADMP CCOC1CC(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000788818611 580730458 /nfs/dbraw/zinc/73/04/58/580730458.db2.gz UOWPMNACNPCEPI-UHFFFAOYSA-N 2 1 332.448 1.977 20 0 EDADMP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)CC1 ZINC000792260586 580815591 /nfs/dbraw/zinc/81/55/91/580815591.db2.gz MKWQFECNLISDSF-SFHVURJKSA-N 2 1 349.519 1.963 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)[C@H]2C1 ZINC000891805083 590628330 /nfs/dbraw/zinc/62/83/30/590628330.db2.gz CZCUHVPKIWRSDN-QAPCUYQASA-N 2 1 343.475 1.392 20 0 EDADMP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)ccc1F ZINC000893038173 590630051 /nfs/dbraw/zinc/63/00/51/590630051.db2.gz VYCRPUYXNSDTSL-PBHICJAKSA-N 2 1 334.439 1.733 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC[NH2+]C1CC1 ZINC000891989746 590730524 /nfs/dbraw/zinc/73/05/24/590730524.db2.gz ZMXSYTSTCXSZQH-RDJZCZTQSA-N 2 1 330.476 1.806 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[NH+]1CCCCC1 ZINC000892204049 590863799 /nfs/dbraw/zinc/86/37/99/590863799.db2.gz HTNFEHLTHFKVJE-BRWVUGGUSA-N 2 1 338.496 1.101 20 0 EDADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000892236874 590880641 /nfs/dbraw/zinc/88/06/41/590880641.db2.gz UGBZPKNTZLMKNO-GXTWGEPZSA-N 2 1 349.504 1.686 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCCOCCC[NH3+] ZINC000892296262 590921898 /nfs/dbraw/zinc/92/18/98/590921898.db2.gz QQWNFWGNFXNIHH-AEFFLSMTSA-N 2 1 348.491 1.419 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+]CC3CC[NH+](C)CC3)cc2)CC1 ZINC000892576285 591079273 /nfs/dbraw/zinc/07/92/73/591079273.db2.gz ASXJEQIMRLWYKQ-UHFFFAOYSA-N 3 1 330.520 1.865 20 0 EDADMP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000891461409 591079328 /nfs/dbraw/zinc/07/93/28/591079328.db2.gz MAYLYCGMKRTWHD-RBSFLKMASA-N 2 1 336.505 1.997 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CCCC1 ZINC000891516423 591103087 /nfs/dbraw/zinc/10/30/87/591103087.db2.gz GRHHEHKQUHRUKD-AAEUAGOBSA-N 2 1 336.402 1.639 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891536067 591111553 /nfs/dbraw/zinc/11/15/53/591111553.db2.gz CDGSEXRNUHYHIZ-QGZVFWFLSA-N 2 1 346.475 1.242 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000891538393 591113054 /nfs/dbraw/zinc/11/30/54/591113054.db2.gz XJNJYEMKYCGSTG-CABCVRRESA-N 2 1 326.485 1.175 20 0 EDADMP [NH3+][C@@H](CCNC(=O)NCC[NH+]1CCSCC1)Cc1ccccc1 ZINC000891545823 591118502 /nfs/dbraw/zinc/11/85/02/591118502.db2.gz NYQPCBBAEZYTSY-INIZCTEOSA-N 2 1 336.505 1.295 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NCc2cccc3c2CC[NH2+]C3)n1C ZINC000891653549 591169765 /nfs/dbraw/zinc/16/97/65/591169765.db2.gz DGAXETXCBKNGJQ-UHFFFAOYSA-N 2 1 342.447 1.131 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CCCCC12CC[NH2+]CC2)[C@H]1C[N@H+](C)CCO1 ZINC000891698708 591189819 /nfs/dbraw/zinc/18/98/19/591189819.db2.gz UJGNHJSJDDCVMO-XHSDSOJGSA-N 2 1 338.496 1.317 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CCCCC12CC[NH2+]CC2)[C@H]1C[N@@H+](C)CCO1 ZINC000891698708 591189821 /nfs/dbraw/zinc/18/98/21/591189821.db2.gz UJGNHJSJDDCVMO-XHSDSOJGSA-N 2 1 338.496 1.317 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)N3CCc4sc(C[NH3+])nc4C3)CC[C@H]21 ZINC000892878417 591211636 /nfs/dbraw/zinc/21/16/36/591211636.db2.gz SQMCMSODQGBCPG-WCQYABFASA-N 2 1 335.477 1.106 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000892924306 591226449 /nfs/dbraw/zinc/22/64/49/591226449.db2.gz UUTMKYNZCORUQA-MRXNPFEDSA-N 2 1 337.512 1.022 20 0 EDADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1(C)C ZINC000894253070 591248621 /nfs/dbraw/zinc/24/86/21/591248621.db2.gz FTKGOAPYTALABG-GJZGRUSLSA-N 2 1 329.460 1.236 20 0 EDADMP CN(C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000895898911 591299233 /nfs/dbraw/zinc/29/92/33/591299233.db2.gz BYOCOGBHBNRIDP-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](C)C1 ZINC000895898911 591299235 /nfs/dbraw/zinc/29/92/35/591299235.db2.gz BYOCOGBHBNRIDP-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N(C)[C@H]2CCC[NH+](C)C2)CCCO1 ZINC000894447892 591313938 /nfs/dbraw/zinc/31/39/38/591313938.db2.gz ISYOHVGWWWINBC-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC000894447892 591313941 /nfs/dbraw/zinc/31/39/41/591313941.db2.gz ISYOHVGWWWINBC-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000894447892 591313943 /nfs/dbraw/zinc/31/39/43/591313943.db2.gz ISYOHVGWWWINBC-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[NH+](C)CCOc1cc(-c2noc(CCc3[nH]cc[nH+]3)n2)ccn1 ZINC000896140432 591361003 /nfs/dbraw/zinc/36/10/03/591361003.db2.gz RRAAZSLFTPHYAZ-UHFFFAOYSA-N 2 1 328.376 1.580 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH2+]C(C)C)c2ccc(OC)cc2)C1 ZINC000896259427 591400815 /nfs/dbraw/zinc/40/08/15/591400815.db2.gz VJAAFFHXSNWDIS-WMZOPIPTSA-N 2 1 349.475 1.571 20 0 EDADMP C[C@@H]1CN(CCNC(=O)NCC[N@H+]2CCC(C)(C)C2)[C@H](C)CO1 ZINC000898588510 591418026 /nfs/dbraw/zinc/41/80/26/591418026.db2.gz KNUGJCGAOKHGJT-HUUCEWRRSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NCC[NH+]2CC[C@H](C)C2)C[C@@H]1C ZINC000897464054 591465964 /nfs/dbraw/zinc/46/59/64/591465964.db2.gz JXIMCUHTLVCGKY-HRCADAONSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NCC[N@@H+]2CC[C@H](C)C2)C[C@@H]1C ZINC000897464054 591465967 /nfs/dbraw/zinc/46/59/67/591465967.db2.gz JXIMCUHTLVCGKY-HRCADAONSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NCC[N@H+]2CC[C@H](C)C2)C[C@@H]1C ZINC000897464054 591465969 /nfs/dbraw/zinc/46/59/69/591465969.db2.gz JXIMCUHTLVCGKY-HRCADAONSA-N 2 1 326.485 1.079 20 0 EDADMP CSC1(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)CC[NH+](C)CC1 ZINC000894951252 591496921 /nfs/dbraw/zinc/49/69/21/591496921.db2.gz JQIMYBBGLJHIJE-HUUCEWRRSA-N 2 1 340.537 1.692 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000897515137 591515410 /nfs/dbraw/zinc/51/54/10/591515410.db2.gz JRTUQYPIPQXKCO-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)C[C@@H]1C ZINC000897557128 591553250 /nfs/dbraw/zinc/55/32/50/591553250.db2.gz FXYBKAXRSNLOEA-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)C[C@@H]1C ZINC000897557128 591553253 /nfs/dbraw/zinc/55/32/53/591553253.db2.gz FXYBKAXRSNLOEA-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000897652145 591606359 /nfs/dbraw/zinc/60/63/59/591606359.db2.gz UOXWPIIWIUQUNZ-WFDRTZIDSA-N 2 1 339.480 1.836 20 0 EDADMP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000897652145 591606361 /nfs/dbraw/zinc/60/63/61/591606361.db2.gz UOXWPIIWIUQUNZ-WFDRTZIDSA-N 2 1 339.480 1.836 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2c(n1)CCCN2 ZINC000899246114 591748231 /nfs/dbraw/zinc/74/82/31/591748231.db2.gz DCCQTWOTMJJCGQ-AWEZNQCLSA-N 2 1 333.480 1.442 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2c(n1)CCCN2 ZINC000899246114 591748234 /nfs/dbraw/zinc/74/82/34/591748234.db2.gz DCCQTWOTMJJCGQ-AWEZNQCLSA-N 2 1 333.480 1.442 20 0 EDADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000895466847 591768469 /nfs/dbraw/zinc/76/84/69/591768469.db2.gz XKIOBFHYMYVWTL-SFHVURJKSA-N 2 1 349.475 1.573 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCOC34CCCC4)cn2)CC1 ZINC000898110493 591785759 /nfs/dbraw/zinc/78/57/59/591785759.db2.gz FCYKGYIIKSMYEE-INIZCTEOSA-N 2 1 331.464 1.420 20 0 EDADMP Cc1cccc2nc(CCNC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cn21 ZINC000895531542 591790057 /nfs/dbraw/zinc/79/00/57/591790057.db2.gz AHZPEKHCBHVXDL-GASCZTMLSA-N 2 1 327.432 1.388 20 0 EDADMP C[NH+](C)C1(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CCCCCC1 ZINC000899977815 591853951 /nfs/dbraw/zinc/85/39/51/591853951.db2.gz SWXZCIBXFSNWNR-GOSISDBHSA-N 2 1 325.497 1.604 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000900012555 591862926 /nfs/dbraw/zinc/86/29/26/591862926.db2.gz BQYFHXKRRZKQGA-KEYYUXOJSA-N 2 1 337.489 1.456 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000900012555 591862930 /nfs/dbraw/zinc/86/29/30/591862930.db2.gz BQYFHXKRRZKQGA-KEYYUXOJSA-N 2 1 337.489 1.456 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000899601358 591866932 /nfs/dbraw/zinc/86/69/32/591866932.db2.gz LVZVBOQMAMTNPB-HOTGVXAUSA-N 2 1 340.537 1.188 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000899601358 591866935 /nfs/dbraw/zinc/86/69/35/591866935.db2.gz LVZVBOQMAMTNPB-HOTGVXAUSA-N 2 1 340.537 1.188 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000899601358 591866938 /nfs/dbraw/zinc/86/69/38/591866938.db2.gz LVZVBOQMAMTNPB-HOTGVXAUSA-N 2 1 340.537 1.188 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC[N@@H+]1C ZINC000898368774 591894333 /nfs/dbraw/zinc/89/43/33/591894333.db2.gz PZBVGBOYVFIGLZ-UTUOFQBUSA-N 2 1 325.844 1.487 20 0 EDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC[N@H+]1C ZINC000898368774 591894334 /nfs/dbraw/zinc/89/43/34/591894334.db2.gz PZBVGBOYVFIGLZ-UTUOFQBUSA-N 2 1 325.844 1.487 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)c1ccsc1 ZINC000900192586 591935916 /nfs/dbraw/zinc/93/59/16/591935916.db2.gz PDDGVIBXEFYISW-UXLLHSPISA-N 2 1 339.505 1.702 20 0 EDADMP COc1c[nH]c(CO)c(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1=O ZINC000902169040 591937202 /nfs/dbraw/zinc/93/72/02/591937202.db2.gz BWOOGNUMAHHLQZ-CQSZACIVSA-N 2 1 335.448 1.040 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccco1 ZINC000900406654 592010199 /nfs/dbraw/zinc/01/01/99/592010199.db2.gz TXRHLUXPRNPVGA-CRAIPNDOSA-N 2 1 337.464 1.626 20 0 EDADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cn(C)nn1 ZINC000902741072 592055141 /nfs/dbraw/zinc/05/51/41/592055141.db2.gz KPGJNMYFZGDJDD-QFBILLFUSA-N 2 1 342.491 1.845 20 0 EDADMP COC(=O)c1ccccc1CONC(=[NH2+])[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902807274 592062865 /nfs/dbraw/zinc/06/28/65/592062865.db2.gz DDWWIWANJURYEP-DZGCQCFKSA-N 2 1 333.388 1.335 20 0 EDADMP COC(=O)c1cc(CONC(=[NH2+])[C@H]2C[N@H+]3CCC[C@H]3CO2)cs1 ZINC000902806120 592062928 /nfs/dbraw/zinc/06/29/28/592062928.db2.gz KYIQYWHYZBEMBO-NWDGAFQWSA-N 2 1 339.417 1.396 20 0 EDADMP [NH2+]=C(NOCc1noc(C2CCCCC2)n1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902807479 592063568 /nfs/dbraw/zinc/06/35/68/592063568.db2.gz HOZNZFSUMOZKBA-UONOGXRCSA-N 2 1 349.435 1.979 20 0 EDADMP CN(C(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000900656618 592082968 /nfs/dbraw/zinc/08/29/68/592082968.db2.gz MHJZGHSERYSHSD-IBGZPJMESA-N 2 1 349.475 1.437 20 0 EDADMP CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000903069517 592119121 /nfs/dbraw/zinc/11/91/21/592119121.db2.gz XEKGJMAMRUKTGZ-MSOLQXFVSA-N 2 1 331.460 1.731 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]C3CCN(C(C)=O)CC3)C2)[C@H]1C(C)C ZINC000903116967 592123344 /nfs/dbraw/zinc/12/33/44/592123344.db2.gz BSSFDYDQCJXESJ-NCXUSEDFSA-N 2 1 337.508 1.457 20 0 EDADMP CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903131871 592124150 /nfs/dbraw/zinc/12/41/50/592124150.db2.gz XGZXWYNEVBCKJO-JJXSEGSLSA-N 2 1 333.480 1.838 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000900896352 592160369 /nfs/dbraw/zinc/16/03/69/592160369.db2.gz GKIMUFYVFRKNHO-POAQFYNOSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000900896352 592160371 /nfs/dbraw/zinc/16/03/71/592160371.db2.gz GKIMUFYVFRKNHO-POAQFYNOSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000900896352 592160372 /nfs/dbraw/zinc/16/03/72/592160372.db2.gz GKIMUFYVFRKNHO-POAQFYNOSA-N 2 1 345.487 1.565 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCc1ccc3c(c1)CCO3)C2 ZINC000903493831 592186138 /nfs/dbraw/zinc/18/61/38/592186138.db2.gz XHBCVAIXPOFZFF-FCEWJHQRSA-N 2 1 330.428 1.376 20 0 EDADMP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903496655 592187919 /nfs/dbraw/zinc/18/79/19/592187919.db2.gz XMSBUHYWNUQNFH-RBSFLKMASA-N 2 1 349.475 1.798 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]cn3)C2)cc(OC)c1 ZINC000901011030 592195177 /nfs/dbraw/zinc/19/51/77/592195177.db2.gz WPOBENKWDIPNRC-CQSZACIVSA-N 2 1 344.415 1.360 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]cn3)C2)cc(OC)c1 ZINC000901011030 592195178 /nfs/dbraw/zinc/19/51/78/592195178.db2.gz WPOBENKWDIPNRC-CQSZACIVSA-N 2 1 344.415 1.360 20 0 EDADMP CC(C)(C)CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562172 592210569 /nfs/dbraw/zinc/21/05/69/592210569.db2.gz FTINPJASJPPLHL-GASCZTMLSA-N 2 1 329.510 1.263 20 0 EDADMP CC(C)(C)CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562172 592210571 /nfs/dbraw/zinc/21/05/71/592210571.db2.gz FTINPJASJPPLHL-GASCZTMLSA-N 2 1 329.510 1.263 20 0 EDADMP C[NH2+]CCN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000903572890 592225909 /nfs/dbraw/zinc/22/59/09/592225909.db2.gz ICUTWJWLSDKHDQ-UHFFFAOYSA-N 2 1 332.492 1.261 20 0 EDADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000901078980 592226447 /nfs/dbraw/zinc/22/64/47/592226447.db2.gz SWDQTVOEWQRNRS-KURKYZTESA-N 2 1 335.492 1.717 20 0 EDADMP CN(C)C(=O)c1cccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000904357975 592238502 /nfs/dbraw/zinc/23/85/02/592238502.db2.gz FZIBTSHNRTZZIN-UHFFFAOYSA-N 2 1 344.503 1.694 20 0 EDADMP CC(C)(C)OC(=O)NC[C@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CCCO1 ZINC000904370575 592239866 /nfs/dbraw/zinc/23/98/66/592239866.db2.gz BGHMFUIIXDHJPA-MAUKXSAKSA-N 2 1 341.496 1.992 20 0 EDADMP CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCCO1 ZINC000904370575 592239868 /nfs/dbraw/zinc/23/98/68/592239868.db2.gz BGHMFUIIXDHJPA-MAUKXSAKSA-N 2 1 341.496 1.992 20 0 EDADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[NH+](C)C ZINC000901129228 592244252 /nfs/dbraw/zinc/24/42/52/592244252.db2.gz BMAGLGIAXYSWSU-KURKYZTESA-N 2 1 333.476 1.326 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@H+]1C ZINC000906663058 592245224 /nfs/dbraw/zinc/24/52/24/592245224.db2.gz CMLUICFJCMLMHK-XJKSGUPXSA-N 2 1 346.475 1.760 20 0 EDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)C1 ZINC000904381455 592247683 /nfs/dbraw/zinc/24/76/83/592247683.db2.gz PPMKWAVEACMYJD-GHEKHTLGSA-N 2 1 331.382 1.455 20 0 EDADMP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421078 592258751 /nfs/dbraw/zinc/25/87/51/592258751.db2.gz NZFDADJDYBYRFQ-LSDHHAIUSA-N 2 1 340.427 1.889 20 0 EDADMP CCN(C)c1ccc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)cn1 ZINC000904449679 592263819 /nfs/dbraw/zinc/26/38/19/592263819.db2.gz NFIXGRLMEBSGSQ-KRWDZBQOSA-N 2 1 341.459 1.963 20 0 EDADMP COc1ccc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)cc1O ZINC000904457749 592265883 /nfs/dbraw/zinc/26/58/83/592265883.db2.gz QRCQTWCDKJGTAO-HNNXBMFYSA-N 2 1 329.400 1.826 20 0 EDADMP O=C([C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CCCC1 ZINC000903728445 592285997 /nfs/dbraw/zinc/28/59/97/592285997.db2.gz BMHZNLHAVMMPSQ-IRXDYDNUSA-N 2 1 335.492 1.480 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000904607898 592295014 /nfs/dbraw/zinc/29/50/14/592295014.db2.gz VRLUFHGERRXYTL-IRXDYDNUSA-N 2 1 346.475 1.943 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)[C@H]1c1ccccc1 ZINC000901233154 592295994 /nfs/dbraw/zinc/29/59/94/592295994.db2.gz KHGJHFCSLAMOAH-QRQLOZEOSA-N 2 1 331.460 1.395 20 0 EDADMP C[NH+]1CC[C@@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)[C@H]1c1ccccc1 ZINC000901233154 592296000 /nfs/dbraw/zinc/29/60/00/592296000.db2.gz KHGJHFCSLAMOAH-QRQLOZEOSA-N 2 1 331.460 1.395 20 0 EDADMP C[NH+]1CC[C@@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[C@H]1c1ccccc1 ZINC000901233154 592296006 /nfs/dbraw/zinc/29/60/06/592296006.db2.gz KHGJHFCSLAMOAH-QRQLOZEOSA-N 2 1 331.460 1.395 20 0 EDADMP c1nnc([C@@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1C1CC1 ZINC000903752907 592296825 /nfs/dbraw/zinc/29/68/25/592296825.db2.gz PZFMZYAGSRYKJG-NVXWUHKLSA-N 2 1 345.491 1.951 20 0 EDADMP C[C@@H](N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)C(F)(F)F ZINC000903739870 592302211 /nfs/dbraw/zinc/30/22/11/592302211.db2.gz ANTVQLZVNFHQNF-KGLIPLIRSA-N 2 1 335.414 1.714 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903741221 592302667 /nfs/dbraw/zinc/30/26/67/592302667.db2.gz ONSRJWFBPJGSGO-RBUKOAKNSA-N 2 1 338.540 1.103 20 0 EDADMP OC[C@@H]1c2ccccc2OCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788312 592322729 /nfs/dbraw/zinc/32/27/29/592322729.db2.gz IIIBLQCVFCKNOA-DOTOQJQBSA-N 2 1 332.444 1.573 20 0 EDADMP COc1ccc(C[N@@H+](CCCO)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903831359 592336794 /nfs/dbraw/zinc/33/67/94/592336794.db2.gz IRTAQTCNWYXJCC-RTBURBONSA-N 2 1 334.460 1.648 20 0 EDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000903854307 592346090 /nfs/dbraw/zinc/34/60/90/592346090.db2.gz JDMARHBGMDSHEG-MAUKXSAKSA-N 2 1 330.432 1.216 20 0 EDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000903854307 592346093 /nfs/dbraw/zinc/34/60/93/592346093.db2.gz JDMARHBGMDSHEG-MAUKXSAKSA-N 2 1 330.432 1.216 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000906841850 592364994 /nfs/dbraw/zinc/36/49/94/592364994.db2.gz NQMMRZIJLFWWIP-OKZBNKHCSA-N 2 1 337.508 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000906841850 592364998 /nfs/dbraw/zinc/36/49/98/592364998.db2.gz NQMMRZIJLFWWIP-OKZBNKHCSA-N 2 1 337.508 1.678 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@H](NC(=O)C(C)(C)C)C2)cnn1C ZINC000903892893 592365819 /nfs/dbraw/zinc/36/58/19/592365819.db2.gz XPWPZMLRKKDCSH-RDJZCZTQSA-N 2 1 349.523 1.473 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@H](NC(=O)C(C)(C)C)C2)cnn1C ZINC000903892893 592365820 /nfs/dbraw/zinc/36/58/20/592365820.db2.gz XPWPZMLRKKDCSH-RDJZCZTQSA-N 2 1 349.523 1.473 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+]C[C@@H](O)C2(O)CCC2)[C@H](c2ccccc2)C1 ZINC000905035054 592373058 /nfs/dbraw/zinc/37/30/58/592373058.db2.gz NTSCDXLZOZORIT-RBUKOAKNSA-N 2 1 347.503 1.231 20 0 EDADMP C[N@@H+](C[C@@H]1C[C@H](F)CN1c1ccncn1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903928111 592381282 /nfs/dbraw/zinc/38/12/82/592381282.db2.gz VHMSPWNIDHNOKU-QPBSCJPLSA-N 2 1 333.455 1.856 20 0 EDADMP COCC(COC)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903929405 592382170 /nfs/dbraw/zinc/38/21/70/592382170.db2.gz DRAVBLRRPFSUIO-UHFFFAOYSA-N 2 1 333.476 1.111 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000903937744 592387343 /nfs/dbraw/zinc/38/73/43/592387343.db2.gz QNTSSBUCRHHLAI-ZWKOTPCHSA-N 2 1 344.503 1.563 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903917754 592390287 /nfs/dbraw/zinc/39/02/87/592390287.db2.gz NBONSBTVOIRXKQ-GVDBMIGSSA-N 3 1 332.496 1.414 20 0 EDADMP COC(=O)c1cn([C@@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)nn1 ZINC000903917522 592390760 /nfs/dbraw/zinc/39/07/60/592390760.db2.gz ZFNLHHQJGPYJNB-JALIKCBVSA-N 2 1 333.436 1.232 20 0 EDADMP COCC[N@H+](Cc1ccc(C)cc1C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903964153 592402555 /nfs/dbraw/zinc/40/25/55/592402555.db2.gz RFXIIJUKMURBDC-GOSISDBHSA-N 2 1 347.503 1.949 20 0 EDADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1(O)CCCC1 ZINC000905098496 592404628 /nfs/dbraw/zinc/40/46/28/592404628.db2.gz SWBPVCLQJLLHFO-RTBURBONSA-N 2 1 332.488 1.807 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](Cc3nccs3)C2)C1 ZINC000903987613 592406319 /nfs/dbraw/zinc/40/63/19/592406319.db2.gz HWAKVKWKKJPALJ-GJZGRUSLSA-N 2 1 336.505 1.595 20 0 EDADMP Cc1cc(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc(N2CCCC2)[nH+]1 ZINC000908286263 592425293 /nfs/dbraw/zinc/42/52/93/592425293.db2.gz QURYUWPINKJKDN-LJQANCHMSA-N 2 1 346.475 1.453 20 0 EDADMP Cc1cc(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc(N2CCCC2)[nH+]1 ZINC000908286263 592425297 /nfs/dbraw/zinc/42/52/97/592425297.db2.gz QURYUWPINKJKDN-LJQANCHMSA-N 2 1 346.475 1.453 20 0 EDADMP O[C@H](CC[C@@H](O)c1ccccc1)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000905340167 592510839 /nfs/dbraw/zinc/51/08/39/592510839.db2.gz FLEVOHWFALJCIB-RTBURBONSA-N 2 1 336.476 1.298 20 0 EDADMP C[C@](O)(C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(F)(F)C(F)(F)F ZINC000905341476 592511780 /nfs/dbraw/zinc/51/17/80/592511780.db2.gz OSQQBOAZEZOGKJ-MNOVXSKESA-N 2 1 334.329 1.371 20 0 EDADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)CC2 ZINC000908505742 592524017 /nfs/dbraw/zinc/52/40/17/592524017.db2.gz LWYRDQRTUAWZKG-FUHWJXTLSA-N 2 1 337.508 1.555 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000907152033 592538611 /nfs/dbraw/zinc/53/86/11/592538611.db2.gz XLORPXURWHGKJM-ZWKOTPCHSA-N 2 1 330.476 1.041 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000907152033 592538613 /nfs/dbraw/zinc/53/86/13/592538613.db2.gz XLORPXURWHGKJM-ZWKOTPCHSA-N 2 1 330.476 1.041 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000907152033 592538614 /nfs/dbraw/zinc/53/86/14/592538614.db2.gz XLORPXURWHGKJM-ZWKOTPCHSA-N 2 1 330.476 1.041 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)[C@H](C)C1 ZINC000907515748 592698563 /nfs/dbraw/zinc/69/85/63/592698563.db2.gz DCIKTAJIBIPCQB-CABCVRRESA-N 2 1 344.459 1.818 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)[C@H](C)C1 ZINC000907515748 592698566 /nfs/dbraw/zinc/69/85/66/592698566.db2.gz DCIKTAJIBIPCQB-CABCVRRESA-N 2 1 344.459 1.818 20 0 EDADMP C[NH2+]CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C(C)C ZINC000910993911 592908220 /nfs/dbraw/zinc/90/82/20/592908220.db2.gz SQQVOBSDFBWBKB-DLBZAZTESA-N 2 1 346.475 1.004 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])c1ccccc1I ZINC000911745143 592995572 /nfs/dbraw/zinc/99/55/72/592995572.db2.gz MFJKWLZGKYDSHX-GZMMTYOYSA-N 2 1 347.200 1.145 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000912284000 593082705 /nfs/dbraw/zinc/08/27/05/593082705.db2.gz LZKNHJVCARLVRT-KRWDZBQOSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000912284000 593082706 /nfs/dbraw/zinc/08/27/06/593082706.db2.gz LZKNHJVCARLVRT-KRWDZBQOSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000912284000 593082707 /nfs/dbraw/zinc/08/27/07/593082707.db2.gz LZKNHJVCARLVRT-KRWDZBQOSA-N 2 1 338.540 1.639 20 0 EDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)[C@@H]1COCC12OCCO2 ZINC000839175389 593271209 /nfs/dbraw/zinc/27/12/09/593271209.db2.gz WEPKWBGMKAKTRF-INIZCTEOSA-N 2 1 335.448 1.653 20 0 EDADMP CN(CCC[N@@H+](C)C[C@H](O)c1ccc(F)c(F)c1)CC[NH+](C)C ZINC000808781862 593287951 /nfs/dbraw/zinc/28/79/51/593287951.db2.gz VANPWAHNLMNNOT-KRWDZBQOSA-N 2 1 329.435 1.814 20 0 EDADMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O ZINC000839992838 593304478 /nfs/dbraw/zinc/30/44/78/593304478.db2.gz YHVRQORDWCFCJC-OLMMMNRUSA-N 2 1 333.476 1.639 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O ZINC000839992838 593304480 /nfs/dbraw/zinc/30/44/80/593304480.db2.gz YHVRQORDWCFCJC-OLMMMNRUSA-N 2 1 333.476 1.639 20 0 EDADMP Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c(N(C)C)n1 ZINC000839591949 593346052 /nfs/dbraw/zinc/34/60/52/593346052.db2.gz MTYQUYSAOVAPGS-AWEZNQCLSA-N 2 1 347.463 1.243 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000839727494 593374671 /nfs/dbraw/zinc/37/46/71/593374671.db2.gz FNMBNSZECXDCGW-GDBMZVCRSA-N 2 1 325.522 1.804 20 0 EDADMP CC(C)[C@@H]1N(C[N@@H+]2CC[C@H](c3nccn3C)C2)C(=O)[C@]12CCCO2 ZINC000840039160 593404462 /nfs/dbraw/zinc/40/44/62/593404462.db2.gz ZREBPSCVPRZELT-MPGHIAIKSA-N 2 1 332.448 1.583 20 0 EDADMP CN1CC[NH+](CC2(C)CC[NH+](CN3C[C@H]4CCC[C@H]4C3=O)CC2)CC1 ZINC000840046037 593414713 /nfs/dbraw/zinc/41/47/13/593414713.db2.gz LTPINOVZHJLQDR-QZTJIDSGSA-N 2 1 348.535 1.552 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813325832 593526677 /nfs/dbraw/zinc/52/66/77/593526677.db2.gz LPAXZTBBWZKTEC-GFCCVEGCSA-N 2 1 341.415 1.852 20 0 EDADMP CCOC(=O)CC(C)(C)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000813334586 593527164 /nfs/dbraw/zinc/52/71/64/593527164.db2.gz QUIZMWRXVRCHCF-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP CCOC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000819238972 593746042 /nfs/dbraw/zinc/74/60/42/593746042.db2.gz NYCHQBOYNKEFIW-IAGOWNOFSA-N 2 1 335.448 1.300 20 0 EDADMP CCOC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000819238972 593746043 /nfs/dbraw/zinc/74/60/43/593746043.db2.gz NYCHQBOYNKEFIW-IAGOWNOFSA-N 2 1 335.448 1.300 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1COC2(CCC2)C1 ZINC000820087260 593789866 /nfs/dbraw/zinc/78/98/66/593789866.db2.gz SSERXRLAIRPHPJ-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1COC2(CCC2)C1 ZINC000820087260 593789867 /nfs/dbraw/zinc/78/98/67/593789867.db2.gz SSERXRLAIRPHPJ-LSDHHAIUSA-N 2 1 326.485 1.269 20 0 EDADMP O=C(C[NH+]1CCCC1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000821816508 593947552 /nfs/dbraw/zinc/94/75/52/593947552.db2.gz ODGRUMCICKIORG-SFHVURJKSA-N 2 1 331.460 1.355 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC000821189481 593986326 /nfs/dbraw/zinc/98/63/26/593986326.db2.gz MSZYUYFNQKAMOR-INIZCTEOSA-N 2 1 344.463 1.799 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821188656 593986370 /nfs/dbraw/zinc/98/63/70/593986370.db2.gz BIIZGEOKDCLNRV-KRWDZBQOSA-N 2 1 344.463 1.799 20 0 EDADMP CC(C)[NH+]1CCC([N@H+](C)CCn2cnc(Br)n2)CC1 ZINC000821367569 594029217 /nfs/dbraw/zinc/02/92/17/594029217.db2.gz CPCCNALUYDJTTF-UHFFFAOYSA-N 2 1 330.274 1.845 20 0 EDADMP CC(C)[NH+]1CCC([N@@H+](C)CCn2cnc(Br)n2)CC1 ZINC000821367569 594029220 /nfs/dbraw/zinc/02/92/20/594029220.db2.gz CPCCNALUYDJTTF-UHFFFAOYSA-N 2 1 330.274 1.845 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@](C)(O)c1ccc(F)cc1 ZINC000824817884 594079522 /nfs/dbraw/zinc/07/95/22/594079522.db2.gz CPUJAWQONUIZSC-KSSFIOAISA-N 2 1 339.455 1.421 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@](C)(O)c1ccc(F)cc1 ZINC000824817884 594079524 /nfs/dbraw/zinc/07/95/24/594079524.db2.gz CPUJAWQONUIZSC-KSSFIOAISA-N 2 1 339.455 1.421 20 0 EDADMP CC[NH+]1CCN(c2ccc(-c3noc(CC[NH2+]C)n3)cc2F)CC1 ZINC000822951020 594127251 /nfs/dbraw/zinc/12/72/51/594127251.db2.gz IIIWLAUHQKACBU-UHFFFAOYSA-N 2 1 333.411 1.780 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(-n4ccnc4)ccc3O)C[C@@H]2C1 ZINC000823028527 594139849 /nfs/dbraw/zinc/13/98/49/594139849.db2.gz HNUFKGMKVATZLW-KGLIPLIRSA-N 2 1 326.400 1.602 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc2nonc21 ZINC000823210081 594170313 /nfs/dbraw/zinc/17/03/13/594170313.db2.gz XCAGXAULLVJSOS-LBPRGKRZSA-N 2 1 334.424 1.616 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C[C@@H]([NH3+])C3CC3)c2)CCO1 ZINC000827666163 594254177 /nfs/dbraw/zinc/25/41/77/594254177.db2.gz KOUONHPDXTWAKF-RDTXWAMCSA-N 2 1 331.460 1.651 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C[C@@H]([NH3+])C3CC3)c2)CCO1 ZINC000827666163 594254179 /nfs/dbraw/zinc/25/41/79/594254179.db2.gz KOUONHPDXTWAKF-RDTXWAMCSA-N 2 1 331.460 1.651 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)Cc3ncc[nH]3)C2)cc(OC)c1 ZINC000829922521 594292650 /nfs/dbraw/zinc/29/26/50/594292650.db2.gz GQZVWQYRQMUIEW-AWEZNQCLSA-N 2 1 344.415 1.360 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000827331006 594661720 /nfs/dbraw/zinc/66/17/20/594661720.db2.gz UUWLKTUMQLUVIB-RZFLPCETSA-N 2 1 337.508 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000827331006 594661721 /nfs/dbraw/zinc/66/17/21/594661721.db2.gz UUWLKTUMQLUVIB-RZFLPCETSA-N 2 1 337.508 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000827331006 594661722 /nfs/dbraw/zinc/66/17/22/594661722.db2.gz UUWLKTUMQLUVIB-RZFLPCETSA-N 2 1 337.508 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000827331006 594661723 /nfs/dbraw/zinc/66/17/23/594661723.db2.gz UUWLKTUMQLUVIB-RZFLPCETSA-N 2 1 337.508 1.673 20 0 EDADMP CCn1ncc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000840970187 594834044 /nfs/dbraw/zinc/83/40/44/594834044.db2.gz QWWYXSGMQUBAAN-UHFFFAOYSA-N 2 1 329.448 1.415 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000841722624 594943570 /nfs/dbraw/zinc/94/35/70/594943570.db2.gz PJASAQYCZNAWKC-BBRMVZONSA-N 2 1 342.447 1.763 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841725616 594944103 /nfs/dbraw/zinc/94/41/03/594944103.db2.gz CPVXNCPYGBMFSI-LSDHHAIUSA-N 2 1 328.420 1.645 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000841726143 594944183 /nfs/dbraw/zinc/94/41/83/594944183.db2.gz GSWWUUDCLMORKD-HNNXBMFYSA-N 2 1 330.436 1.892 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1c1ccccc1 ZINC000841833483 594959639 /nfs/dbraw/zinc/95/96/39/594959639.db2.gz ZQOFLCHCFUYOBL-OKZBNKHCSA-N 2 1 328.460 1.607 20 0 EDADMP C[C@]1(CNC(=O)NC[C@@H]([NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841898223 594976891 /nfs/dbraw/zinc/97/68/91/594976891.db2.gz KPYBDEHWFQTFRP-IEBWSBKVSA-N 2 1 330.476 1.935 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1)N1CC[NH2+]CC1 ZINC000843348012 595081987 /nfs/dbraw/zinc/08/19/87/595081987.db2.gz ZRDPNLMKADHRJP-NSHDSACASA-N 2 1 328.869 1.440 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000843362756 595087964 /nfs/dbraw/zinc/08/79/64/595087964.db2.gz PWBNFFQVXVUDMI-CJNGLKHVSA-N 2 1 336.867 1.815 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000843362756 595087968 /nfs/dbraw/zinc/08/79/68/595087968.db2.gz PWBNFFQVXVUDMI-CJNGLKHVSA-N 2 1 336.867 1.815 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@H+](CCC[NH3+])CC2CCCC2)o1 ZINC000843385007 595095827 /nfs/dbraw/zinc/09/58/27/595095827.db2.gz OLWVZYRJPGEGDD-UHFFFAOYSA-N 2 1 343.493 1.871 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)o1 ZINC000843385007 595095832 /nfs/dbraw/zinc/09/58/32/595095832.db2.gz OLWVZYRJPGEGDD-UHFFFAOYSA-N 2 1 343.493 1.871 20 0 EDADMP COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C[C@@H]1C ZINC000844020786 595246146 /nfs/dbraw/zinc/24/61/46/595246146.db2.gz HKHMLPXGWAGPIQ-JZXOWHBKSA-N 2 1 337.508 1.961 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C[C@@H]1C ZINC000844020786 595246149 /nfs/dbraw/zinc/24/61/49/595246149.db2.gz HKHMLPXGWAGPIQ-JZXOWHBKSA-N 2 1 337.508 1.961 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1C ZINC000844020786 595246152 /nfs/dbraw/zinc/24/61/52/595246152.db2.gz HKHMLPXGWAGPIQ-JZXOWHBKSA-N 2 1 337.508 1.961 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1C ZINC000844020786 595246154 /nfs/dbraw/zinc/24/61/54/595246154.db2.gz HKHMLPXGWAGPIQ-JZXOWHBKSA-N 2 1 337.508 1.961 20 0 EDADMP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843047618 595272936 /nfs/dbraw/zinc/27/29/36/595272936.db2.gz YSFYAHDQIQZTKP-ZDUSSCGKSA-N 2 1 339.871 1.026 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)cn1 ZINC000844170313 595290473 /nfs/dbraw/zinc/29/04/73/595290473.db2.gz ABWNMGCQDNRMOV-INIZCTEOSA-N 2 1 327.432 1.970 20 0 EDADMP CN1c2ccc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cc2CCC1=O ZINC000843125290 595292861 /nfs/dbraw/zinc/29/28/61/595292861.db2.gz RBBAUKWNBPQLJN-KRWDZBQOSA-N 2 1 343.471 1.783 20 0 EDADMP C[C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000844177257 595292925 /nfs/dbraw/zinc/29/29/25/595292925.db2.gz DQQFJBXJLAIVDV-QAPCUYQASA-N 2 1 331.460 1.318 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)CO[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844192064 595298466 /nfs/dbraw/zinc/29/84/66/595298466.db2.gz GSYFQIVYQPCBED-GOSISDBHSA-N 2 1 346.475 1.536 20 0 EDADMP CCN1C[C@@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)OC1=O ZINC000846926283 595338590 /nfs/dbraw/zinc/33/85/90/595338590.db2.gz PDUGUUSHFJULEG-VFSICIBPSA-N 2 1 325.453 1.401 20 0 EDADMP CCN1C[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)OC1=O ZINC000846926283 595338593 /nfs/dbraw/zinc/33/85/93/595338593.db2.gz PDUGUUSHFJULEG-VFSICIBPSA-N 2 1 325.453 1.401 20 0 EDADMP CCN1C[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)OC1=O ZINC000846926283 595338595 /nfs/dbraw/zinc/33/85/95/595338595.db2.gz PDUGUUSHFJULEG-VFSICIBPSA-N 2 1 325.453 1.401 20 0 EDADMP CCN1C[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)OC1=O ZINC000846926283 595338597 /nfs/dbraw/zinc/33/85/97/595338597.db2.gz PDUGUUSHFJULEG-VFSICIBPSA-N 2 1 325.453 1.401 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 ZINC000844694207 595374756 /nfs/dbraw/zinc/37/47/56/595374756.db2.gz JIIGHCQWSGXYSU-OAHLLOKOSA-N 2 1 339.480 1.408 20 0 EDADMP CC(C)(C)OC(=O)N1CC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000848535286 595403696 /nfs/dbraw/zinc/40/36/96/595403696.db2.gz BWWDPXJYLBUQQU-INIZCTEOSA-N 2 1 339.480 1.696 20 0 EDADMP C[C@@H]1CC(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000848992125 595473534 /nfs/dbraw/zinc/47/35/34/595473534.db2.gz NTBHCHIMWDOBFD-HUUCEWRRSA-N 2 1 326.485 1.416 20 0 EDADMP CCc1ccc(NC(=[NH2+])NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000849072752 595477924 /nfs/dbraw/zinc/47/79/24/595477924.db2.gz DFMYDECFOAHAPY-OAHLLOKOSA-N 2 1 331.464 1.773 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000849093048 595480372 /nfs/dbraw/zinc/48/03/72/595480372.db2.gz OYOQQCKRZWFXBQ-INIZCTEOSA-N 2 1 338.496 1.705 20 0 EDADMP CC(C)[NH2+]C1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000108371143 595493828 /nfs/dbraw/zinc/49/38/28/595493828.db2.gz PSVLORVAJNYSLY-UHFFFAOYSA-N 2 1 325.478 1.339 20 0 EDADMP COCC[NH+]1CCC(OC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000847886340 595497195 /nfs/dbraw/zinc/49/71/95/595497195.db2.gz UOIBYHDYKVTMJP-KRWDZBQOSA-N 2 1 330.444 1.853 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)[C@@H]1CCC[NH3+] ZINC000852759636 595530527 /nfs/dbraw/zinc/53/05/27/595530527.db2.gz RLHJBENZSQDPQI-UKRRQHHQSA-N 2 1 343.493 1.869 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000849482435 595547100 /nfs/dbraw/zinc/54/71/00/595547100.db2.gz BHEBAYOWHIDBLD-HZPDHXFCSA-N 2 1 335.496 1.159 20 0 EDADMP CC(C)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849495115 595550890 /nfs/dbraw/zinc/55/08/90/595550890.db2.gz BJCCALLIKFDJEL-IAGOWNOFSA-N 2 1 333.480 1.008 20 0 EDADMP CC1CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849498080 595552179 /nfs/dbraw/zinc/55/21/79/595552179.db2.gz JAPGQAKJUDQBTN-ROUUACIJSA-N 2 1 347.507 1.304 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000849527724 595559917 /nfs/dbraw/zinc/55/99/17/595559917.db2.gz JXXLWVVTQAMPFJ-BZSNNMDCSA-N 2 1 345.491 1.151 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[C@H]1CC[NH+](C2CC2)C1 ZINC000849527724 595559919 /nfs/dbraw/zinc/55/99/19/595559919.db2.gz JXXLWVVTQAMPFJ-BZSNNMDCSA-N 2 1 345.491 1.151 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[C@H]1CC[NH+](C2CC2)C1 ZINC000849527724 595559920 /nfs/dbraw/zinc/55/99/20/595559920.db2.gz JXXLWVVTQAMPFJ-BZSNNMDCSA-N 2 1 345.491 1.151 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849541608 595560806 /nfs/dbraw/zinc/56/08/06/595560806.db2.gz PKQNZFMAKDHNIF-UAGQMJEPSA-N 2 1 335.496 1.302 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849569340 595572130 /nfs/dbraw/zinc/57/21/30/595572130.db2.gz UEQAIUWMSVQAIL-IRXDYDNUSA-N 2 1 335.496 1.254 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849577370 595579130 /nfs/dbraw/zinc/57/91/30/595579130.db2.gz HWNIAZAEQIJSBN-RCCFBDPRSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849577370 595579133 /nfs/dbraw/zinc/57/91/33/595579133.db2.gz HWNIAZAEQIJSBN-RCCFBDPRSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849577370 595579135 /nfs/dbraw/zinc/57/91/35/595579135.db2.gz HWNIAZAEQIJSBN-RCCFBDPRSA-N 2 1 347.507 1.444 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C2([NH3+])CC3(CCC3)C2)cn1 ZINC000852858653 595580254 /nfs/dbraw/zinc/58/02/54/595580254.db2.gz GKLWQGXCRCHIHX-UHFFFAOYSA-N 2 1 325.416 1.854 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NC(C)(C)C[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849599592 595588119 /nfs/dbraw/zinc/58/81/19/595588119.db2.gz CRRQXARQGCKZBY-IRXDYDNUSA-N 2 1 349.523 1.690 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000853466268 595759037 /nfs/dbraw/zinc/75/90/37/595759037.db2.gz XKLQGRRZJSVPIW-DLBZAZTESA-N 3 1 341.544 1.432 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000853466268 595759039 /nfs/dbraw/zinc/75/90/39/595759039.db2.gz XKLQGRRZJSVPIW-DLBZAZTESA-N 3 1 341.544 1.432 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CC[C@@H](OC)C3)CC2)CC1 ZINC000851764248 595914073 /nfs/dbraw/zinc/91/40/73/595914073.db2.gz HBOSBJZESXSJLG-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@H]4C[C@H]([NH3+])C4)n3)cc2)CC1 ZINC000854144707 595989554 /nfs/dbraw/zinc/98/95/54/595989554.db2.gz FIMXRPBIZBLWMX-SHTZXODSSA-N 2 1 341.415 1.329 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3cn[nH]n3)C2)ccn1 ZINC000856585030 596023951 /nfs/dbraw/zinc/02/39/51/596023951.db2.gz XLQZLQKRCRFTGJ-QGZVFWFLSA-N 2 1 330.436 1.347 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3cn[nH]n3)C2)ccn1 ZINC000856585030 596023955 /nfs/dbraw/zinc/02/39/55/596023955.db2.gz XLQZLQKRCRFTGJ-QGZVFWFLSA-N 2 1 330.436 1.347 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3cn[nH]n3)C2)ccn1 ZINC000856585030 596023960 /nfs/dbraw/zinc/02/39/60/596023960.db2.gz XLQZLQKRCRFTGJ-QGZVFWFLSA-N 2 1 330.436 1.347 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3c[nH]nn3)C2)ccn1 ZINC000856585030 596023964 /nfs/dbraw/zinc/02/39/64/596023964.db2.gz XLQZLQKRCRFTGJ-QGZVFWFLSA-N 2 1 330.436 1.347 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3c[nH]nn3)C2)ccn1 ZINC000856585030 596023969 /nfs/dbraw/zinc/02/39/69/596023969.db2.gz XLQZLQKRCRFTGJ-QGZVFWFLSA-N 2 1 330.436 1.347 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3c[nH]nn3)C2)ccn1 ZINC000856585030 596023974 /nfs/dbraw/zinc/02/39/74/596023974.db2.gz XLQZLQKRCRFTGJ-QGZVFWFLSA-N 2 1 330.436 1.347 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3c[nH]nn3)C2)ccn1 ZINC000856585030 596023978 /nfs/dbraw/zinc/02/39/78/596023978.db2.gz XLQZLQKRCRFTGJ-QGZVFWFLSA-N 2 1 330.436 1.347 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](O)C(F)(F)F)C2)ccn1 ZINC000856587513 596024562 /nfs/dbraw/zinc/02/45/62/596024562.db2.gz YVTRFSFQLDOIFA-LSDHHAIUSA-N 2 1 347.381 1.910 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](O)C(F)(F)F)C2)ccn1 ZINC000856587513 596024565 /nfs/dbraw/zinc/02/45/65/596024565.db2.gz YVTRFSFQLDOIFA-LSDHHAIUSA-N 2 1 347.381 1.910 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H](O)C(F)(F)F)C2)ccn1 ZINC000856587513 596024570 /nfs/dbraw/zinc/02/45/70/596024570.db2.gz YVTRFSFQLDOIFA-LSDHHAIUSA-N 2 1 347.381 1.910 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H](O)C(F)(F)F)C2)ccn1 ZINC000856587513 596024574 /nfs/dbraw/zinc/02/45/74/596024574.db2.gz YVTRFSFQLDOIFA-LSDHHAIUSA-N 2 1 347.381 1.910 20 0 EDADMP COC(=O)[C@]1(c2ccccc2)CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000852075633 596034938 /nfs/dbraw/zinc/03/49/38/596034938.db2.gz LSMAJPFUZOGNFD-PKOBYXMFSA-N 2 1 334.460 1.504 20 0 EDADMP COC(=O)[C@]1(c2ccccc2)CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000852075633 596034941 /nfs/dbraw/zinc/03/49/41/596034941.db2.gz LSMAJPFUZOGNFD-PKOBYXMFSA-N 2 1 334.460 1.504 20 0 EDADMP COC(=O)[C@]1(c2ccccc2)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000852075633 596034946 /nfs/dbraw/zinc/03/49/46/596034946.db2.gz LSMAJPFUZOGNFD-PKOBYXMFSA-N 2 1 334.460 1.504 20 0 EDADMP COC(=O)[C@]1(c2ccccc2)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000852075633 596034949 /nfs/dbraw/zinc/03/49/49/596034949.db2.gz LSMAJPFUZOGNFD-PKOBYXMFSA-N 2 1 334.460 1.504 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854333028 596038744 /nfs/dbraw/zinc/03/87/44/596038744.db2.gz LYBZHRNYUAHTRP-KRWDZBQOSA-N 2 1 334.464 1.685 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@H](C)[NH+](C)C)C2)ccn1 ZINC000856654458 596043412 /nfs/dbraw/zinc/04/34/12/596043412.db2.gz NUWOXIGJKOUPRP-YJBOKZPZSA-N 2 1 348.491 1.852 20 0 EDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C2 ZINC000852106779 596045990 /nfs/dbraw/zinc/04/59/90/596045990.db2.gz DKBIUTKCFNXSLY-MAUKXSAKSA-N 2 1 341.496 1.680 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C2 ZINC000852106779 596045993 /nfs/dbraw/zinc/04/59/93/596045993.db2.gz DKBIUTKCFNXSLY-MAUKXSAKSA-N 2 1 341.496 1.680 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C2 ZINC000852106779 596045998 /nfs/dbraw/zinc/04/59/98/596045998.db2.gz DKBIUTKCFNXSLY-MAUKXSAKSA-N 2 1 341.496 1.680 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000857116022 596161075 /nfs/dbraw/zinc/16/10/75/596161075.db2.gz VBGSXJWGLIPZAK-LBPRGKRZSA-N 2 1 340.390 1.020 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(S(=O)(=O)NC)cc2)[C@@H](C)C1 ZINC000866577566 596256591 /nfs/dbraw/zinc/25/65/91/596256591.db2.gz LNCLYDMAELPDTL-YOEHRIQHSA-N 2 1 339.505 1.457 20 0 EDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000866705926 596302218 /nfs/dbraw/zinc/30/22/18/596302218.db2.gz JOKWIYPIHXLTKV-GDBMZVCRSA-N 2 1 331.526 1.355 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000866712705 596304893 /nfs/dbraw/zinc/30/48/93/596304893.db2.gz VWDZUVZZCIBTEA-NCOADZHNSA-N 2 1 331.416 1.241 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000866712825 596305749 /nfs/dbraw/zinc/30/57/49/596305749.db2.gz YKCYLAFKWUQHBT-PBWTXFEYSA-N 2 1 341.455 1.973 20 0 EDADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714676 596306332 /nfs/dbraw/zinc/30/63/32/596306332.db2.gz VAPFQVHHAOVQDG-BBWFWOEESA-N 2 1 345.443 1.549 20 0 EDADMP Cc1ccccc1OCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714668 596306871 /nfs/dbraw/zinc/30/68/71/596306871.db2.gz UWJIEWLMWIKVTJ-UXLLHSPISA-N 2 1 331.416 1.241 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)CC[C@H]21 ZINC000868791470 596307228 /nfs/dbraw/zinc/30/72/28/596307228.db2.gz QHWFEJSAOCIUQM-CEXWTWQISA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)CC[C@H]21 ZINC000868791470 596307233 /nfs/dbraw/zinc/30/72/33/596307233.db2.gz QHWFEJSAOCIUQM-CEXWTWQISA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)CC[C@H]21 ZINC000868791470 596307238 /nfs/dbraw/zinc/30/72/38/596307238.db2.gz QHWFEJSAOCIUQM-CEXWTWQISA-N 2 1 342.487 1.997 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000870891564 596391702 /nfs/dbraw/zinc/39/17/02/596391702.db2.gz FQAIRCYBCFICNP-NXWXRZEISA-N 2 1 345.487 1.910 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000870891564 596391707 /nfs/dbraw/zinc/39/17/07/596391707.db2.gz FQAIRCYBCFICNP-NXWXRZEISA-N 2 1 345.487 1.910 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1)[NH+](C)C ZINC000871283090 596523192 /nfs/dbraw/zinc/52/31/92/596523192.db2.gz GNKHWCKXZIPSNY-MSOLQXFVSA-N 2 1 333.476 1.652 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1)[NH+](C)C ZINC000871283090 596523195 /nfs/dbraw/zinc/52/31/95/596523195.db2.gz GNKHWCKXZIPSNY-MSOLQXFVSA-N 2 1 333.476 1.652 20 0 EDADMP O=C1O[C@]2(CN1C[N@@H+]1CC[C@H]3CC[C@@H](C1)S3)C[NH+]1CCC2CC1 ZINC000863294618 596540823 /nfs/dbraw/zinc/54/08/23/596540823.db2.gz KNHVSRIWIIMMEL-VYDXJSESSA-N 2 1 337.489 1.830 20 0 EDADMP O=C1O[C@]2(CN1C[N@H+]1CC[C@H]3CC[C@@H](C1)S3)C[NH+]1CCC2CC1 ZINC000863294618 596540825 /nfs/dbraw/zinc/54/08/25/596540825.db2.gz KNHVSRIWIIMMEL-VYDXJSESSA-N 2 1 337.489 1.830 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)o1 ZINC000869781882 596633116 /nfs/dbraw/zinc/63/31/16/596633116.db2.gz ZADJKXODDLJCRM-AWEZNQCLSA-N 2 1 337.464 1.696 20 0 EDADMP NC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863647075 596644138 /nfs/dbraw/zinc/64/41/38/596644138.db2.gz WWWWSKKZVNNHPQ-GXTWGEPZSA-N 2 1 345.365 1.510 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863647075 596644140 /nfs/dbraw/zinc/64/41/40/596644140.db2.gz WWWWSKKZVNNHPQ-GXTWGEPZSA-N 2 1 345.365 1.510 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868186432 596715230 /nfs/dbraw/zinc/71/52/30/596715230.db2.gz SKUMTBQWIZJWFH-RRQGHBQHSA-N 2 1 331.464 1.259 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC000868215780 596728218 /nfs/dbraw/zinc/72/82/18/596728218.db2.gz BPWDFOJQEFZEIP-KRWDZBQOSA-N 2 1 340.512 1.661 20 0 EDADMP C[NH+](C)C[C@@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)C[C@H]1C[NH+](C)C ZINC000866012248 596757579 /nfs/dbraw/zinc/75/75/79/596757579.db2.gz VUOSTZGJMQQBHL-IAGOWNOFSA-N 3 1 346.523 1.643 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCC2CC[NH+](C(C)C)CC2)C1 ZINC000868284212 596764540 /nfs/dbraw/zinc/76/45/40/596764540.db2.gz RIRLCSIXISAZCQ-QGZVFWFLSA-N 2 1 340.512 1.517 20 0 EDADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000872158420 596816569 /nfs/dbraw/zinc/81/65/69/596816569.db2.gz UZZDUFUSPCIDKR-FUHWJXTLSA-N 3 1 336.524 1.428 20 0 EDADMP [NH3+][C@H](C[C@@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1)C1CCCC1 ZINC000872158420 596816572 /nfs/dbraw/zinc/81/65/72/596816572.db2.gz UZZDUFUSPCIDKR-FUHWJXTLSA-N 2 1 336.524 1.428 20 0 EDADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1)C1CCCC1 ZINC000872158420 596816577 /nfs/dbraw/zinc/81/65/77/596816577.db2.gz UZZDUFUSPCIDKR-FUHWJXTLSA-N 2 1 336.524 1.428 20 0 EDADMP CC1(C)CC[NH2+]CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000872297350 596872222 /nfs/dbraw/zinc/87/22/22/596872222.db2.gz LPAXCKFOBSDMQK-QGZVFWFLSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC000866492961 596893161 /nfs/dbraw/zinc/89/31/61/596893161.db2.gz MZAAAMMQWAYPCT-CABCVRRESA-N 2 1 327.469 1.431 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCCN1CCOC[C@@H]1CC ZINC000875579152 596903824 /nfs/dbraw/zinc/90/38/24/596903824.db2.gz VXEAHZOPFLGERR-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000872634121 597001805 /nfs/dbraw/zinc/00/18/05/597001805.db2.gz WLCGAKIDFOSVDH-OALUTQOASA-N 2 1 349.519 1.881 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000872634121 597001808 /nfs/dbraw/zinc/00/18/08/597001808.db2.gz WLCGAKIDFOSVDH-OALUTQOASA-N 2 1 349.519 1.881 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000874432706 597076723 /nfs/dbraw/zinc/07/67/23/597076723.db2.gz PPCLZBQJDTWHLU-SQNIBIBYSA-N 2 1 328.460 1.797 20 0 EDADMP CCOc1cccc(F)c1CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000873044051 597169345 /nfs/dbraw/zinc/16/93/45/597169345.db2.gz AEFXOSDCHOBHFN-CQSZACIVSA-N 2 1 337.439 1.901 20 0 EDADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1csc(C2CC[NH2+]CC2)n1 ZINC000876729718 597309822 /nfs/dbraw/zinc/30/98/22/597309822.db2.gz VFMIEZPOUDGBBG-DZGCQCFKSA-N 2 1 334.489 1.967 20 0 EDADMP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000876738919 597315926 /nfs/dbraw/zinc/31/59/26/597315926.db2.gz AMKPCIBEYVKORM-INIZCTEOSA-N 2 1 341.459 1.173 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000876753963 597323144 /nfs/dbraw/zinc/32/31/44/597323144.db2.gz ABRGFTKQHDZFQC-UONOGXRCSA-N 2 1 345.365 1.542 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000876753963 597323146 /nfs/dbraw/zinc/32/31/46/597323146.db2.gz ABRGFTKQHDZFQC-UONOGXRCSA-N 2 1 345.365 1.542 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)CC2)oc1C ZINC000876759210 597326406 /nfs/dbraw/zinc/32/64/06/597326406.db2.gz OJXUIQYSFQCXPM-CVEARBPZSA-N 2 1 348.491 1.993 20 0 EDADMP C[C@@H](NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)C1([NH+]2CCOCC2)CCCC1 ZINC000876772780 597334208 /nfs/dbraw/zinc/33/42/08/597334208.db2.gz HQNIQSWQHCICMZ-NUJGCVRESA-N 2 1 335.492 1.668 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000876808611 597347397 /nfs/dbraw/zinc/34/73/97/597347397.db2.gz TWPADOJWWXMJDB-ROUUACIJSA-N 2 1 343.471 1.475 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000876921739 597386200 /nfs/dbraw/zinc/38/62/00/597386200.db2.gz KSNINFCAHCSGRL-IAGOWNOFSA-N 2 1 344.503 1.470 20 0 EDADMP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000876932248 597389371 /nfs/dbraw/zinc/38/93/71/597389371.db2.gz HZJDTXFFVGVHKO-WNRNVDISSA-N 2 1 331.435 1.667 20 0 EDADMP CC1(C)CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)[NH2+]C1 ZINC000877154148 597445100 /nfs/dbraw/zinc/44/51/00/597445100.db2.gz LWZYGGZPNCKJQQ-DOTOQJQBSA-N 2 1 330.476 1.940 20 0 EDADMP CC1(C)CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)[NH2+]C1 ZINC000877154148 597445101 /nfs/dbraw/zinc/44/51/01/597445101.db2.gz LWZYGGZPNCKJQQ-DOTOQJQBSA-N 2 1 330.476 1.940 20 0 EDADMP C[NH+](C)CC1(CNC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CCCC1 ZINC000875492895 597452010 /nfs/dbraw/zinc/45/20/10/597452010.db2.gz VHSWIHDAKRGMIL-HNNXBMFYSA-N 2 1 340.512 1.253 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000877230033 597469824 /nfs/dbraw/zinc/46/98/24/597469824.db2.gz VRPLLXUOLFDPKZ-HKUYNNGSSA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000877230033 597469825 /nfs/dbraw/zinc/46/98/25/597469825.db2.gz VRPLLXUOLFDPKZ-HKUYNNGSSA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000877229521 597470043 /nfs/dbraw/zinc/47/00/43/597470043.db2.gz ODMWDZPZTUIIQQ-GOSISDBHSA-N 2 1 331.460 1.454 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000877229521 597470046 /nfs/dbraw/zinc/47/00/46/597470046.db2.gz ODMWDZPZTUIIQQ-GOSISDBHSA-N 2 1 331.460 1.454 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877352538 597498643 /nfs/dbraw/zinc/49/86/43/597498643.db2.gz HJFOYZMSKAVORC-CABCVRRESA-N 2 1 343.393 1.757 20 0 EDADMP C[NH+](C)CC[C@@H](N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877353460 597499059 /nfs/dbraw/zinc/49/90/59/597499059.db2.gz QYZAXQSHYCZQLK-NLWGTHIKSA-N 2 1 344.503 1.246 20 0 EDADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000877364404 597501787 /nfs/dbraw/zinc/50/17/87/597501787.db2.gz XSXIRAKTWLSQHJ-SFHVURJKSA-N 2 1 343.512 1.974 20 0 EDADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000877364404 597501788 /nfs/dbraw/zinc/50/17/88/597501788.db2.gz XSXIRAKTWLSQHJ-SFHVURJKSA-N 2 1 343.512 1.974 20 0 EDADMP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000877389625 597507645 /nfs/dbraw/zinc/50/76/45/597507645.db2.gz FFNSBZZHPQTXMH-LMMKCTJWSA-N 2 1 328.460 1.694 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)CC1 ZINC000878283377 597592465 /nfs/dbraw/zinc/59/24/65/597592465.db2.gz HUUHMBMTBVXKFO-AWEZNQCLSA-N 2 1 346.479 1.003 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)CC1 ZINC000878283377 597592466 /nfs/dbraw/zinc/59/24/66/597592466.db2.gz HUUHMBMTBVXKFO-AWEZNQCLSA-N 2 1 346.479 1.003 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1ccc(C(N)=O)cc1 ZINC000878287743 597592795 /nfs/dbraw/zinc/59/27/95/597592795.db2.gz IKOSSLLBXNKLRT-KZNAEPCWSA-N 2 1 331.460 1.512 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1cc(Br)no1 ZINC000878288167 597592817 /nfs/dbraw/zinc/59/28/17/597592817.db2.gz QWTMKQZZYUNQNH-LLVKDONJSA-N 2 1 343.225 1.998 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1cc(Br)no1 ZINC000878288167 597592818 /nfs/dbraw/zinc/59/28/18/597592818.db2.gz QWTMKQZZYUNQNH-LLVKDONJSA-N 2 1 343.225 1.998 20 0 EDADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)NC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000879569220 597635161 /nfs/dbraw/zinc/63/51/61/597635161.db2.gz LGCPLJBHHNIRBF-HOCLYGCPSA-N 2 1 330.432 1.751 20 0 EDADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)NC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000879569220 597635164 /nfs/dbraw/zinc/63/51/64/597635164.db2.gz LGCPLJBHHNIRBF-HOCLYGCPSA-N 2 1 330.432 1.751 20 0 EDADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)NC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000879569220 597635168 /nfs/dbraw/zinc/63/51/68/597635168.db2.gz LGCPLJBHHNIRBF-HOCLYGCPSA-N 2 1 330.432 1.751 20 0 EDADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)NC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000879569220 597635169 /nfs/dbraw/zinc/63/51/69/597635169.db2.gz LGCPLJBHHNIRBF-HOCLYGCPSA-N 2 1 330.432 1.751 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C/C=C/CN3CC[C@H]4[C@H](CC[N@@H+]4C)C3)CC[C@H]21 ZINC000879577945 597640626 /nfs/dbraw/zinc/64/06/26/597640626.db2.gz OREFNVBZFSWAOG-XOPZRJDVSA-N 2 1 332.536 1.595 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C/C=C/CN3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)CC[C@@H]21 ZINC000879577945 597640629 /nfs/dbraw/zinc/64/06/29/597640629.db2.gz OREFNVBZFSWAOG-XOPZRJDVSA-N 2 1 332.536 1.595 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C/C=C/CN3CC[C@@H]4[C@H](CC[N@H+]4C)C3)CC[C@@H]21 ZINC000879577945 597640634 /nfs/dbraw/zinc/64/06/34/597640634.db2.gz OREFNVBZFSWAOG-XOPZRJDVSA-N 2 1 332.536 1.595 20 0 EDADMP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@H](C)[NH+]1CCc2sccc2C1 ZINC000883142654 597665162 /nfs/dbraw/zinc/66/51/62/597665162.db2.gz PYWPUMWPAVORQL-ZFWWWQNUSA-N 2 1 336.505 1.888 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@H](C)[NH+]1CCc2sccc2C1 ZINC000883142654 597665163 /nfs/dbraw/zinc/66/51/63/597665163.db2.gz PYWPUMWPAVORQL-ZFWWWQNUSA-N 2 1 336.505 1.888 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000883142654 597665168 /nfs/dbraw/zinc/66/51/68/597665168.db2.gz PYWPUMWPAVORQL-ZFWWWQNUSA-N 2 1 336.505 1.888 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000883142654 597665171 /nfs/dbraw/zinc/66/51/71/597665171.db2.gz PYWPUMWPAVORQL-ZFWWWQNUSA-N 2 1 336.505 1.888 20 0 EDADMP CC(C)C[N@H+](CC(=O)N1CCO[C@@H](C)C1)CC1CC[NH+](C)CC1 ZINC000879702754 597694617 /nfs/dbraw/zinc/69/46/17/597694617.db2.gz XOPIXORYFMBPBR-INIZCTEOSA-N 2 1 325.497 1.534 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878825677 597725363 /nfs/dbraw/zinc/72/53/63/597725363.db2.gz KQFQIMWAANVEHU-MGPQQGTHSA-N 2 1 329.485 1.580 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000883439549 597747508 /nfs/dbraw/zinc/74/75/08/597747508.db2.gz UPXYTYPOOBBJGG-YHUYYLMFSA-N 2 1 335.448 1.345 20 0 EDADMP C[C@@H](C[N@H+](C)CC(=O)NC1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000879062967 597807046 /nfs/dbraw/zinc/80/70/46/597807046.db2.gz HEEHSMQBCYNYOR-ZDUSSCGKSA-N 2 1 342.484 1.042 20 0 EDADMP C[C@@H](C[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000879062967 597807049 /nfs/dbraw/zinc/80/70/49/597807049.db2.gz HEEHSMQBCYNYOR-ZDUSSCGKSA-N 2 1 342.484 1.042 20 0 EDADMP [NH3+]C[C@H](NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000883586623 597815281 /nfs/dbraw/zinc/81/52/81/597815281.db2.gz OXRIGQMHOLDHNI-ROUUACIJSA-N 2 1 343.475 1.830 20 0 EDADMP COCC[N@@H+](CC[C@H]1CCS(=O)(=O)C1)CC1CC[NH+](C)CC1 ZINC000879125686 597826890 /nfs/dbraw/zinc/82/68/90/597826890.db2.gz GKXHRSYRDZKIGS-INIZCTEOSA-N 2 1 332.510 1.101 20 0 EDADMP COCC[N@H+](CC(=O)N(C)c1ccccc1)CC1CC[NH+](C)CC1 ZINC000879124494 597827096 /nfs/dbraw/zinc/82/70/96/597827096.db2.gz YMTNMIASOLNGMQ-UHFFFAOYSA-N 2 1 333.476 1.940 20 0 EDADMP CC[N@@H+]1CC[C@H]1CNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000883654158 597849746 /nfs/dbraw/zinc/84/97/46/597849746.db2.gz UGUVEKMZJNZJSA-INIZCTEOSA-N 2 1 331.464 1.884 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000883654158 597849749 /nfs/dbraw/zinc/84/97/49/597849749.db2.gz UGUVEKMZJNZJSA-INIZCTEOSA-N 2 1 331.464 1.884 20 0 EDADMP CC[NH+]1CCC(NC(=O)CN2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000879246667 597863402 /nfs/dbraw/zinc/86/34/02/597863402.db2.gz GOQIVFUKXDATRR-UHFFFAOYSA-N 2 1 336.524 1.395 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](CF)C2)C1 ZINC000880235991 597879260 /nfs/dbraw/zinc/87/92/60/597879260.db2.gz UTJOQBFGGZDURY-HZPDHXFCSA-N 2 1 329.460 1.141 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](CF)C2)C1 ZINC000880235991 597879261 /nfs/dbraw/zinc/87/92/61/597879261.db2.gz UTJOQBFGGZDURY-HZPDHXFCSA-N 2 1 329.460 1.141 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](CF)C2)C1 ZINC000880235991 597879262 /nfs/dbraw/zinc/87/92/62/597879262.db2.gz UTJOQBFGGZDURY-HZPDHXFCSA-N 2 1 329.460 1.141 20 0 EDADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH2+]Cc2ccccc21 ZINC000884025502 597971419 /nfs/dbraw/zinc/97/14/19/597971419.db2.gz YHLQCXWWFXJJLD-UHFFFAOYSA-N 2 1 337.427 1.241 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000882496170 597977514 /nfs/dbraw/zinc/97/75/14/597977514.db2.gz YPYOWBXVUMDOLY-ZIAGYGMSSA-N 2 1 342.484 1.042 20 0 EDADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884124561 598001635 /nfs/dbraw/zinc/00/16/35/598001635.db2.gz ASRLVXLLSGCTTC-BPQIPLTHSA-N 2 1 343.475 1.929 20 0 EDADMP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884207768 598029625 /nfs/dbraw/zinc/02/96/25/598029625.db2.gz FXTHCWPJCZDIMV-ZDUSSCGKSA-N 2 1 333.354 1.400 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884207768 598029630 /nfs/dbraw/zinc/02/96/30/598029630.db2.gz FXTHCWPJCZDIMV-ZDUSSCGKSA-N 2 1 333.354 1.400 20 0 EDADMP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000884212347 598031169 /nfs/dbraw/zinc/03/11/69/598031169.db2.gz CCEHVCVTYOZZDR-NVXWUHKLSA-N 2 1 327.428 1.903 20 0 EDADMP C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000881019106 598054012 /nfs/dbraw/zinc/05/40/12/598054012.db2.gz GFPOKFOYACAFTH-ADAWSYLGSA-N 2 1 347.507 1.273 20 0 EDADMP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000884386638 598089234 /nfs/dbraw/zinc/08/92/34/598089234.db2.gz VRGNUESRXWCZMW-LERXQTSPSA-N 2 1 345.365 1.527 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)N2CC[NH+](C(C)(C)COC)CC2)c1 ZINC000884369679 598083913 /nfs/dbraw/zinc/08/39/13/598083913.db2.gz MAFAZCRCEFNIMG-UHFFFAOYSA-N 2 1 349.475 1.468 20 0 EDADMP O=C(NCC1C[NH+](CC2CCCC2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031856551 699988791 /nfs/dbraw/zinc/98/87/91/699988791.db2.gz CACVJYYEUFMFFH-URSIVYNOSA-N 2 1 333.476 1.088 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@@H]2C1 ZINC000992764507 695300248 /nfs/dbraw/zinc/30/02/48/695300248.db2.gz BRYSGQCRRITQPK-XHSDSOJGSA-N 2 1 348.466 1.948 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CCc2ccnn2C)[C@@H]1C ZINC000993602886 696253341 /nfs/dbraw/zinc/25/33/41/696253341.db2.gz BMQMHVSDFQQEQV-WBVHZDCISA-N 2 1 344.463 1.137 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CCc2ccnn2C)[C@@H]1C ZINC000993602886 696253343 /nfs/dbraw/zinc/25/33/43/696253343.db2.gz BMQMHVSDFQQEQV-WBVHZDCISA-N 2 1 344.463 1.137 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@H+]1CCn1cccn1 ZINC000993683172 696307051 /nfs/dbraw/zinc/30/70/51/696307051.db2.gz LMOOQDRYVYBJTH-IAGOWNOFSA-N 2 1 347.507 1.727 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@H+](CC3CCOCC3)C1)C2 ZINC001015705533 696597604 /nfs/dbraw/zinc/59/76/04/696597604.db2.gz MVZFHHLYBHLYDE-IRXDYDNUSA-N 2 1 346.475 1.371 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC3CCOCC3)C1)C2 ZINC001015705533 696597605 /nfs/dbraw/zinc/59/76/05/696597605.db2.gz MVZFHHLYBHLYDE-IRXDYDNUSA-N 2 1 346.475 1.371 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1CCc1cnn(C)c1 ZINC000994260056 696672842 /nfs/dbraw/zinc/67/28/42/696672842.db2.gz XKELOSPBVWIFER-RDJZCZTQSA-N 2 1 345.491 1.028 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1CC1CCOCC1 ZINC000994261129 696674685 /nfs/dbraw/zinc/67/46/85/696674685.db2.gz YWUJVXSDJKDPID-WBVHZDCISA-N 2 1 335.492 1.478 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000940008268 700109873 /nfs/dbraw/zinc/10/98/73/700109873.db2.gz GSARPZJOSMFSQX-OAHLLOKOSA-N 2 1 331.464 1.350 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000916836243 696794635 /nfs/dbraw/zinc/79/46/35/696794635.db2.gz JVHDBFMISWBUIF-BZUAXINKSA-N 2 1 340.537 1.597 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000916836243 696794638 /nfs/dbraw/zinc/79/46/38/696794638.db2.gz JVHDBFMISWBUIF-BZUAXINKSA-N 2 1 340.537 1.597 20 0 EDADMP COc1ccccc1CCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031385854 697005974 /nfs/dbraw/zinc/00/59/74/697005974.db2.gz QDHWJXYUGXCCBM-INIZCTEOSA-N 2 1 331.460 1.380 20 0 EDADMP COc1ccccc1CCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031385854 697005978 /nfs/dbraw/zinc/00/59/78/697005978.db2.gz QDHWJXYUGXCCBM-INIZCTEOSA-N 2 1 331.460 1.380 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](CCC3CCOCC3)C2)c1 ZINC001031433572 697095702 /nfs/dbraw/zinc/09/57/02/697095702.db2.gz MDNKIOKZRPGJPC-UHFFFAOYSA-N 2 1 345.487 1.979 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001031585056 697280550 /nfs/dbraw/zinc/28/05/50/697280550.db2.gz PBGXQFPNDDQMEZ-QZTJIDSGSA-N 2 1 331.435 1.955 20 0 EDADMP COc1ccccc1CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031585070 697280797 /nfs/dbraw/zinc/28/07/97/697280797.db2.gz PCGNOZCDCCMKAJ-SFHVURJKSA-N 2 1 345.487 1.770 20 0 EDADMP Cc1cncc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)c1 ZINC001031668562 697461253 /nfs/dbraw/zinc/46/12/53/697461253.db2.gz JQOOKGAEIGLNGE-RTBURBONSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1cncc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)c1 ZINC001031668562 697461254 /nfs/dbraw/zinc/46/12/54/697461254.db2.gz JQOOKGAEIGLNGE-RTBURBONSA-N 2 1 342.487 1.812 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031669731 697465439 /nfs/dbraw/zinc/46/54/39/697465439.db2.gz RZBIGVURGDYHFD-JKSUJKDBSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031669731 697465441 /nfs/dbraw/zinc/46/54/41/697465441.db2.gz RZBIGVURGDYHFD-JKSUJKDBSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(C)ncn2)C1 ZINC000995034376 700163260 /nfs/dbraw/zinc/16/32/60/700163260.db2.gz DUDRRLXRTWVQRY-JKSUJKDBSA-N 2 1 342.447 1.365 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccnc(OC)c2)C1 ZINC001031711021 697715468 /nfs/dbraw/zinc/71/54/68/697715468.db2.gz BTHOOEXEQCCCMP-QGZVFWFLSA-N 2 1 346.475 1.513 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccnc(OC)c2)C1 ZINC001031711021 697715471 /nfs/dbraw/zinc/71/54/71/697715471.db2.gz BTHOOEXEQCCCMP-QGZVFWFLSA-N 2 1 346.475 1.513 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1 ZINC000940110296 700223672 /nfs/dbraw/zinc/22/36/72/700223672.db2.gz WBGXORIKQQBTTF-MRXNPFEDSA-N 2 1 347.507 1.764 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001040882853 698481860 /nfs/dbraw/zinc/48/18/60/698481860.db2.gz LOKKCDCKEHLMIM-UHFFFAOYSA-N 2 1 349.519 1.823 20 0 EDADMP Cn1cc(C[NH+]2CC(CNC(=O)C3CC[NH+](CC4CC4)CC3)C2)cn1 ZINC001032114906 698961800 /nfs/dbraw/zinc/96/18/00/698961800.db2.gz NSTJKANCFXVCHX-UHFFFAOYSA-N 2 1 345.491 1.090 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031764905 699049957 /nfs/dbraw/zinc/04/99/57/699049957.db2.gz OJCDPEQGGMXZFH-UHFFFAOYSA-N 2 1 342.487 1.814 20 0 EDADMP Cn1nccc1CCN1CC(CNC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001031772296 699098167 /nfs/dbraw/zinc/09/81/67/699098167.db2.gz GPCACDGVUYMOFO-UHFFFAOYSA-N 2 1 338.415 1.201 20 0 EDADMP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC001031776661 699168836 /nfs/dbraw/zinc/16/88/36/699168836.db2.gz LMXBKWVZZOIOKC-OALUTQOASA-N 2 1 345.487 1.906 20 0 EDADMP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941534245 701573895 /nfs/dbraw/zinc/57/38/95/701573895.db2.gz QLOVMHTUJIIBOB-IRXDYDNUSA-N 2 1 336.524 1.201 20 0 EDADMP Cc1nc2c([nH]1)CC[C@@H](C(=O)NCC1C[NH+](CC[C@@H]3CCCO3)C1)C2 ZINC001031787108 699222690 /nfs/dbraw/zinc/22/26/90/699222690.db2.gz BBSQAAYEFXXTOU-CVEARBPZSA-N 2 1 346.475 1.440 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]CCc1ccnn1C ZINC000939136632 699222997 /nfs/dbraw/zinc/22/29/97/699222997.db2.gz ALVCDPCFGMKZNI-RDJZCZTQSA-N 2 1 347.507 1.131 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000939236797 699405999 /nfs/dbraw/zinc/40/59/99/699405999.db2.gz RKSODNXQKPLDSU-ZBFHGGJFSA-N 2 1 344.463 1.377 20 0 EDADMP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nncs1 ZINC000939259120 699436991 /nfs/dbraw/zinc/43/69/91/699436991.db2.gz UFTIIQGRMRIBLH-GXTWGEPZSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000939312289 699486942 /nfs/dbraw/zinc/48/69/42/699486942.db2.gz BZQOJNQVBHWDRH-DOTOQJQBSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)nc1 ZINC000939395983 699546090 /nfs/dbraw/zinc/54/60/90/699546090.db2.gz IKIDTLLEFSKOIM-IRXDYDNUSA-N 2 1 345.491 1.453 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(CC=C(C)C)C2)CC1 ZINC000941675087 701614902 /nfs/dbraw/zinc/61/49/02/701614902.db2.gz SNHXDXANGIMYEW-LJQANCHMSA-N 2 1 348.535 1.655 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC=C(C)C)C2)CC1 ZINC000941675087 701614904 /nfs/dbraw/zinc/61/49/04/701614904.db2.gz SNHXDXANGIMYEW-LJQANCHMSA-N 2 1 348.535 1.655 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cnccc2C)C1 ZINC000939747841 699894365 /nfs/dbraw/zinc/89/43/65/699894365.db2.gz MOIUSHYSVUCICQ-PBHICJAKSA-N 2 1 327.432 1.532 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](CCCC4CCC4)C3)CC2)C1 ZINC000941665508 701619420 /nfs/dbraw/zinc/61/94/20/701619420.db2.gz HEYGDNVRCRUXPR-SFHVURJKSA-N 2 1 348.535 1.347 20 0 EDADMP Cc1nsc(C)c1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000939748848 699895859 /nfs/dbraw/zinc/89/58/59/699895859.db2.gz RUEHEYLNFLRONB-BZNIZROVSA-N 2 1 347.488 1.902 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC000940214367 700354583 /nfs/dbraw/zinc/35/45/83/700354583.db2.gz JHIORTHLUCVGHC-LPHOPBHVSA-N 2 1 346.475 1.589 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2snnc2C)CC1 ZINC000940212049 700378353 /nfs/dbraw/zinc/37/83/53/700378353.db2.gz PXLITPAFTCTOCZ-UHFFFAOYSA-N 2 1 348.476 1.522 20 0 EDADMP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000940327662 700504678 /nfs/dbraw/zinc/50/46/78/700504678.db2.gz MXWUWLBYTAEYJS-ZBFHGGJFSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)[nH]1 ZINC000940327948 700505194 /nfs/dbraw/zinc/50/51/94/700505194.db2.gz ANHVCAGKRBOSIS-ZDUSSCGKSA-N 2 1 334.468 1.068 20 0 EDADMP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000940327956 700505299 /nfs/dbraw/zinc/50/52/99/700505299.db2.gz AWRQUFBUBXREQW-CVEARBPZSA-N 2 1 347.507 1.571 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC000940328582 700506920 /nfs/dbraw/zinc/50/69/20/700506920.db2.gz KZSFGYNDEDQNJS-WMLDXEAASA-N 2 1 345.491 1.453 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccccn2)CC1 ZINC000940328890 700507409 /nfs/dbraw/zinc/50/74/09/700507409.db2.gz MQDBVIYAJXRRKO-RDJZCZTQSA-N 2 1 330.476 1.750 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1 ZINC000940328960 700507768 /nfs/dbraw/zinc/50/77/68/700507768.db2.gz OWBXTFBEPRHBLO-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)no1 ZINC000940329177 700508434 /nfs/dbraw/zinc/50/84/34/700508434.db2.gz QVMURXBWFUINCB-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000940329876 700509550 /nfs/dbraw/zinc/50/95/50/700509550.db2.gz ZDKMFZDIHWQECB-GOEBONIOSA-N 2 1 348.491 1.905 20 0 EDADMP Cc1ccncc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940457771 700661504 /nfs/dbraw/zinc/66/15/04/700661504.db2.gz SZKQLWWNXKGHDD-MRXNPFEDSA-N 2 1 330.476 1.812 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccn2)CC1(C)C ZINC000940621798 700783164 /nfs/dbraw/zinc/78/31/64/700783164.db2.gz VNFOXHLHMAVEFZ-IAGOWNOFSA-N 2 1 330.476 1.893 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)CC1(C)C ZINC000940621798 700783165 /nfs/dbraw/zinc/78/31/65/700783165.db2.gz VNFOXHLHMAVEFZ-IAGOWNOFSA-N 2 1 330.476 1.893 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)CC1(C)C ZINC000940621798 700783166 /nfs/dbraw/zinc/78/31/66/700783166.db2.gz VNFOXHLHMAVEFZ-IAGOWNOFSA-N 2 1 330.476 1.893 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCC(C)(C)C)CC2(C)C)C1 ZINC000940648397 700810770 /nfs/dbraw/zinc/81/07/70/700810770.db2.gz AZPNGKCHVDODBE-CVEARBPZSA-N 2 1 339.524 1.970 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCC(C)(C)C)CC2(C)C)C1 ZINC000940648397 700810773 /nfs/dbraw/zinc/81/07/73/700810773.db2.gz AZPNGKCHVDODBE-CVEARBPZSA-N 2 1 339.524 1.970 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)CC2(C)C)C1 ZINC000940648397 700810774 /nfs/dbraw/zinc/81/07/74/700810774.db2.gz AZPNGKCHVDODBE-CVEARBPZSA-N 2 1 339.524 1.970 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)CC2(C)C)C1 ZINC000940648397 700810777 /nfs/dbraw/zinc/81/07/77/700810777.db2.gz AZPNGKCHVDODBE-CVEARBPZSA-N 2 1 339.524 1.970 20 0 EDADMP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000940831059 700930608 /nfs/dbraw/zinc/93/06/08/700930608.db2.gz DEXWUOUZGXXTIG-INIZCTEOSA-N 2 1 337.508 1.462 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900768 700975767 /nfs/dbraw/zinc/97/57/67/700975767.db2.gz HXCBFLUYYVPMTB-BWRBCVJASA-N 2 1 335.492 1.476 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900768 700975769 /nfs/dbraw/zinc/97/57/69/700975769.db2.gz HXCBFLUYYVPMTB-BWRBCVJASA-N 2 1 335.492 1.476 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900768 700975770 /nfs/dbraw/zinc/97/57/70/700975770.db2.gz HXCBFLUYYVPMTB-BWRBCVJASA-N 2 1 335.492 1.476 20 0 EDADMP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC000940918030 700995369 /nfs/dbraw/zinc/99/53/69/700995369.db2.gz IOEWJCQZIJUDEC-GOSISDBHSA-N 2 1 347.503 1.613 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CCCO)CC2(C)C)CC[N@H+]1C ZINC000940980073 701020361 /nfs/dbraw/zinc/02/03/61/701020361.db2.gz NMOMCOICRXYWEC-JYJNAYRXSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](CCCO)CC2(C)C)CC[NH+]1C ZINC000940980073 701020362 /nfs/dbraw/zinc/02/03/62/701020362.db2.gz NMOMCOICRXYWEC-JYJNAYRXSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCO)CC2(C)C)CC[NH+]1C ZINC000940980073 701020363 /nfs/dbraw/zinc/02/03/63/701020363.db2.gz NMOMCOICRXYWEC-JYJNAYRXSA-N 2 1 325.497 1.316 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)CC2(C)C)CC1 ZINC000940994548 701030031 /nfs/dbraw/zinc/03/00/31/701030031.db2.gz WYQXWXYFRXVMQX-DOTOQJQBSA-N 2 1 337.508 1.581 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C(C)(C)C1 ZINC000941023027 701063173 /nfs/dbraw/zinc/06/31/73/701063173.db2.gz ZNDFFEWKZUAPGO-UKRRQHHQSA-N 2 1 334.464 1.693 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941063084 701110916 /nfs/dbraw/zinc/11/09/16/701110916.db2.gz BFYNOMQIHKAIGE-HNNXBMFYSA-N 2 1 336.480 1.870 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941063084 701110917 /nfs/dbraw/zinc/11/09/17/701110917.db2.gz BFYNOMQIHKAIGE-HNNXBMFYSA-N 2 1 336.480 1.870 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)Cn3ccnc3)[C@@H](C)C2)o1 ZINC000945806357 701196072 /nfs/dbraw/zinc/19/60/72/701196072.db2.gz CXNZRQGTMTWZFA-WFASDCNBSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166931 701377672 /nfs/dbraw/zinc/37/76/72/701377672.db2.gz MGKNKZSSZGDGQT-MRXNPFEDSA-N 2 1 346.475 1.796 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccn3)CC2(C)C)C1 ZINC000941218109 701393226 /nfs/dbraw/zinc/39/32/26/701393226.db2.gz VNTUPOQDBKVTLX-RDJZCZTQSA-N 2 1 330.476 1.750 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)CC2(C)C)C1 ZINC000941218109 701393228 /nfs/dbraw/zinc/39/32/28/701393228.db2.gz VNTUPOQDBKVTLX-RDJZCZTQSA-N 2 1 330.476 1.750 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)CC2(C)C)C1 ZINC000941218109 701393230 /nfs/dbraw/zinc/39/32/30/701393230.db2.gz VNTUPOQDBKVTLX-RDJZCZTQSA-N 2 1 330.476 1.750 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214783 701401054 /nfs/dbraw/zinc/40/10/54/701401054.db2.gz CKLISDLEGHJCIU-KRWDZBQOSA-N 2 1 345.491 1.598 20 0 EDADMP CCCC[NH+]1CC(N2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941443724 701535505 /nfs/dbraw/zinc/53/55/05/701535505.db2.gz RLUBXERAMHPXAP-QGZVFWFLSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@H](F)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000941461074 701544453 /nfs/dbraw/zinc/54/44/53/701544453.db2.gz XNIRZTUJNCILQL-RDJZCZTQSA-N 2 1 340.487 1.047 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032129460 701822132 /nfs/dbraw/zinc/82/21/32/701822132.db2.gz YOBFKPUYUVQQDU-FUHWJXTLSA-N 2 1 347.507 1.397 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1C ZINC001031975958 701932392 /nfs/dbraw/zinc/93/23/92/701932392.db2.gz CHODGQXNPIHBNZ-YJBOKZPZSA-N 2 1 345.487 1.749 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976695 701971851 /nfs/dbraw/zinc/97/18/51/701971851.db2.gz QTKVHPIRNDUCMK-KBXCAEBGSA-N 2 1 347.507 1.518 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976695 701971854 /nfs/dbraw/zinc/97/18/54/701971854.db2.gz QTKVHPIRNDUCMK-KBXCAEBGSA-N 2 1 347.507 1.518 20 0 EDADMP CC(C)(C(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1)[NH+]1CCCCC1 ZINC000995823957 702094156 /nfs/dbraw/zinc/09/41/56/702094156.db2.gz PAYRAAOZFMVFOR-HNNXBMFYSA-N 2 1 349.479 1.661 20 0 EDADMP Cc1nc(C(C)C)oc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032182122 702184030 /nfs/dbraw/zinc/18/40/30/702184030.db2.gz FLLCYWIVCIEDIG-HNNXBMFYSA-N 2 1 334.464 1.606 20 0 EDADMP Cc1nc(C(C)C)oc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032182122 702184033 /nfs/dbraw/zinc/18/40/33/702184033.db2.gz FLLCYWIVCIEDIG-HNNXBMFYSA-N 2 1 334.464 1.606 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995917472 702236071 /nfs/dbraw/zinc/23/60/71/702236071.db2.gz KZTXQINVGRQAFQ-KRWDZBQOSA-N 2 1 345.491 1.596 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnc(C)nc3)C2)CC[N@H+]1C ZINC000999210106 706662959 /nfs/dbraw/zinc/66/29/59/706662959.db2.gz TZHACWCQHUSBDM-FGTMMUONSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2nccs2)C1 ZINC000995195075 702421576 /nfs/dbraw/zinc/42/15/76/702421576.db2.gz HZAKXJLPEDKANF-KGLIPLIRSA-N 2 1 333.461 1.723 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000996300458 702692320 /nfs/dbraw/zinc/69/23/20/702692320.db2.gz MPFDWBIWXDPIIU-RDJZCZTQSA-N 2 1 330.476 1.893 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)o1 ZINC000996302769 702694926 /nfs/dbraw/zinc/69/49/26/702694926.db2.gz ZCJBHANCAXTPTD-DYVFJYSZSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nnc([C@H](C)[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)[nH]1 ZINC000996518228 702853744 /nfs/dbraw/zinc/85/37/44/702853744.db2.gz CXIXJSOGSOZSDK-JSGCOSHPSA-N 2 1 346.479 1.097 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996522027 702857374 /nfs/dbraw/zinc/85/73/74/702857374.db2.gz XLJDTTQYEVXIQN-RDJZCZTQSA-N 2 1 330.476 1.750 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)no1 ZINC000996559262 702877640 /nfs/dbraw/zinc/87/76/40/702877640.db2.gz DEQACXQQICEYGM-MLGOLLRUSA-N 2 1 347.463 1.361 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCc3ccnn3C)CC2)CC[N@H+]1C ZINC000996602840 702907749 /nfs/dbraw/zinc/90/77/49/702907749.db2.gz HSLWIKVAWGVBMZ-ZWKOTPCHSA-N 2 1 347.507 1.274 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCOC3)CC2)C1 ZINC000996661327 702958564 /nfs/dbraw/zinc/95/85/64/702958564.db2.gz WVZJFLKBZHZQMU-IRXDYDNUSA-N 2 1 337.508 1.581 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cn(C)nc2C)CC1 ZINC000996661730 702959086 /nfs/dbraw/zinc/95/90/86/702959086.db2.gz MVBNIOXOLPNWSS-GOSISDBHSA-N 2 1 347.507 1.684 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996662767 702960297 /nfs/dbraw/zinc/96/02/97/702960297.db2.gz PVRHUIPNXSOBDU-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3nccn3C)CC2)C1 ZINC000996667058 702963877 /nfs/dbraw/zinc/96/38/77/702963877.db2.gz SCEYZKWBTJSTBV-INIZCTEOSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)c1cnccn1 ZINC000996664738 702967009 /nfs/dbraw/zinc/96/70/09/702967009.db2.gz IIYAODJMHNOCOU-CQSZACIVSA-N 2 1 331.464 1.603 20 0 EDADMP COCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001032314069 702967874 /nfs/dbraw/zinc/96/78/74/702967874.db2.gz SAHZWNGSIDIZTK-GBESFXJTSA-N 2 1 343.471 1.712 20 0 EDADMP COCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001032314069 702967876 /nfs/dbraw/zinc/96/78/76/702967876.db2.gz SAHZWNGSIDIZTK-GBESFXJTSA-N 2 1 343.471 1.712 20 0 EDADMP COCc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001032314069 702967877 /nfs/dbraw/zinc/96/78/77/702967877.db2.gz SAHZWNGSIDIZTK-GBESFXJTSA-N 2 1 343.471 1.712 20 0 EDADMP COCc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001032314069 702967878 /nfs/dbraw/zinc/96/78/78/702967878.db2.gz SAHZWNGSIDIZTK-GBESFXJTSA-N 2 1 343.471 1.712 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCC([NH2+]CC2CCC2)CC1 ZINC000996670483 702971911 /nfs/dbraw/zinc/97/19/11/702971911.db2.gz KGHVGCOCTMVCPD-KRWDZBQOSA-N 2 1 333.480 1.194 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996671460 702972485 /nfs/dbraw/zinc/97/24/85/702972485.db2.gz NUBBYRVOUBXSQE-SFHVURJKSA-N 2 1 347.507 1.584 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)o1 ZINC000996689167 702986773 /nfs/dbraw/zinc/98/67/73/702986773.db2.gz AEFMFZLMIOUYCM-INIZCTEOSA-N 2 1 337.468 1.299 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000996717400 703010912 /nfs/dbraw/zinc/01/09/12/703010912.db2.gz AAPBEMQDEJQOFG-IBGZPJMESA-N 2 1 345.487 1.744 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ncccc2C)C[C@H]1C ZINC000942518793 703020686 /nfs/dbraw/zinc/02/06/86/703020686.db2.gz XAZJBSORTNFTFJ-WBVHZDCISA-N 2 1 341.459 1.922 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ncccc2C)C[C@H]1C ZINC000942518793 703020689 /nfs/dbraw/zinc/02/06/89/703020689.db2.gz XAZJBSORTNFTFJ-WBVHZDCISA-N 2 1 341.459 1.922 20 0 EDADMP Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000996729308 703026246 /nfs/dbraw/zinc/02/62/46/703026246.db2.gz NDCYIRUIMYGGSC-SFHVURJKSA-N 2 1 330.476 1.955 20 0 EDADMP C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC000942530223 703031338 /nfs/dbraw/zinc/03/13/38/703031338.db2.gz PYPUTSPPGQFRQJ-QFBILLFUSA-N 2 1 347.503 1.613 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCCC1 ZINC001032684867 706716200 /nfs/dbraw/zinc/71/62/00/706716200.db2.gz WVOYPQGRMOZCRB-OALUTQOASA-N 2 1 349.519 1.964 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCCC1 ZINC001032684867 706716201 /nfs/dbraw/zinc/71/62/01/706716201.db2.gz WVOYPQGRMOZCRB-OALUTQOASA-N 2 1 349.519 1.964 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001032027828 703050172 /nfs/dbraw/zinc/05/01/72/703050172.db2.gz ZHIVNAVAUUUMKO-SJLPKXTDSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000996762377 703054503 /nfs/dbraw/zinc/05/45/03/703054503.db2.gz KZEQZQAIQGPEMF-KRWDZBQOSA-N 2 1 349.479 1.579 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000996766273 703057852 /nfs/dbraw/zinc/05/78/52/703057852.db2.gz ZQYBINVZKXHOQP-SFHVURJKSA-N 2 1 347.507 1.621 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC000996771714 703062074 /nfs/dbraw/zinc/06/20/74/703062074.db2.gz RWJBKYDDTPCREX-UHFFFAOYSA-N 2 1 347.463 1.341 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597130 703112068 /nfs/dbraw/zinc/11/20/68/703112068.db2.gz JBMPFYGWAUPPPI-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)n1 ZINC000996920049 703190872 /nfs/dbraw/zinc/19/08/72/703190872.db2.gz FBHWMCZGMKMWRP-JSGCOSHPSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)n1 ZINC000996920049 703190875 /nfs/dbraw/zinc/19/08/75/703190875.db2.gz FBHWMCZGMKMWRP-JSGCOSHPSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000996959521 703229777 /nfs/dbraw/zinc/22/97/77/703229777.db2.gz BFRKYWVFXAPJOE-IUODEOHRSA-N 2 1 337.468 1.606 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032044624 703245713 /nfs/dbraw/zinc/24/57/13/703245713.db2.gz VRATYTUTKFXFDB-RBUKOAKNSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032044624 703245716 /nfs/dbraw/zinc/24/57/16/703245716.db2.gz VRATYTUTKFXFDB-RBUKOAKNSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032043552 703249303 /nfs/dbraw/zinc/24/93/03/703249303.db2.gz IGYZPFNQKXWUGF-RBUKOAKNSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032043552 703249305 /nfs/dbraw/zinc/24/93/05/703249305.db2.gz IGYZPFNQKXWUGF-RBUKOAKNSA-N 2 1 342.487 1.955 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000996995747 703252527 /nfs/dbraw/zinc/25/25/27/703252527.db2.gz QCDLDKHTIGIWOE-CQSZACIVSA-N 2 1 334.439 1.786 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC000997000351 703257116 /nfs/dbraw/zinc/25/71/16/703257116.db2.gz PNFQOFSVSFKRRQ-ZDUSSCGKSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)c(C)o1 ZINC000997005369 703262470 /nfs/dbraw/zinc/26/24/70/703262470.db2.gz DJAVKWROWFSQMV-LRDDRELGSA-N 2 1 334.464 1.570 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC000997006473 703263947 /nfs/dbraw/zinc/26/39/47/703263947.db2.gz MDLPFWRBOVOZAX-QFBILLFUSA-N 2 1 345.487 1.642 20 0 EDADMP Cc1cccnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000997009028 703267243 /nfs/dbraw/zinc/26/72/43/703267243.db2.gz XGSUCNJUTMLPEV-HNNXBMFYSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC000997012564 703272256 /nfs/dbraw/zinc/27/22/56/703272256.db2.gz XUOUVWJRDCYBEE-SUMWQHHRSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c(C)n1 ZINC000997012923 703272706 /nfs/dbraw/zinc/27/27/06/703272706.db2.gz YQEJJKSUFRYYKB-IFXJQAMLSA-N 2 1 344.503 1.977 20 0 EDADMP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)n1 ZINC000997090957 703328517 /nfs/dbraw/zinc/32/85/17/703328517.db2.gz CBAGZOMMSUTRNR-MSOLQXFVSA-N 2 1 345.491 1.518 20 0 EDADMP C[C@H]1C[N@@H+](CCn2cccn2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942823340 703331873 /nfs/dbraw/zinc/33/18/73/703331873.db2.gz TZVGADOVGAZMCO-DLBZAZTESA-N 2 1 347.507 1.442 20 0 EDADMP C[C@H]1C[NH+](CCn2cccn2)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942823340 703331876 /nfs/dbraw/zinc/33/18/76/703331876.db2.gz TZVGADOVGAZMCO-DLBZAZTESA-N 2 1 347.507 1.442 20 0 EDADMP C[C@H]1C[NH+](CCn2cccn2)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942823340 703331879 /nfs/dbraw/zinc/33/18/79/703331879.db2.gz TZVGADOVGAZMCO-DLBZAZTESA-N 2 1 347.507 1.442 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H](C)O)CC1 ZINC000997172359 703454146 /nfs/dbraw/zinc/45/41/46/703454146.db2.gz ZAPMUXSIBZYOME-NVXWUHKLSA-N 2 1 325.497 1.602 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000997308145 703566359 /nfs/dbraw/zinc/56/63/59/703566359.db2.gz BOXDIKPEKRHEJH-UHFFFAOYSA-N 2 1 343.431 1.838 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2ccc(C)nc2C)CC1 ZINC000997311243 703567946 /nfs/dbraw/zinc/56/79/46/703567946.db2.gz ZCGITDMSRPCWIR-UHFFFAOYSA-N 2 1 341.459 1.984 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)o1 ZINC000997359703 703590228 /nfs/dbraw/zinc/59/02/28/703590228.db2.gz IQXJANPGWHBAPO-ZIAGYGMSSA-N 2 1 349.479 1.585 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](CCC(C)C)CC2)C1 ZINC000997437018 703665700 /nfs/dbraw/zinc/66/57/00/703665700.db2.gz URZDQRMTQYJCGA-SJLPKXTDSA-N 2 1 339.524 1.970 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](CCC(C)C)CC2)C1 ZINC000997437018 703665701 /nfs/dbraw/zinc/66/57/01/703665701.db2.gz URZDQRMTQYJCGA-SJLPKXTDSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997421115 703670663 /nfs/dbraw/zinc/67/06/63/703670663.db2.gz NWSSGLKLMQYCGM-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997423626 703671510 /nfs/dbraw/zinc/67/15/10/703671510.db2.gz GPYVZNDGTYYRLK-NVXWUHKLSA-N 2 1 345.491 1.453 20 0 EDADMP CCn1c(C)nnc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997605820 703903459 /nfs/dbraw/zinc/90/34/59/703903459.db2.gz HZONOKJWRGHXJE-MRXNPFEDSA-N 2 1 348.495 1.029 20 0 EDADMP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001032514557 703908024 /nfs/dbraw/zinc/90/80/24/703908024.db2.gz VWAMWGXWCIKRPV-HOTGVXAUSA-N 2 1 325.416 1.966 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC000997613603 703912909 /nfs/dbraw/zinc/91/29/09/703912909.db2.gz ORMUAPSMHCVNKI-HNNXBMFYSA-N 2 1 346.479 1.105 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)C(C)(C)C1 ZINC000995549553 703932966 /nfs/dbraw/zinc/93/29/66/703932966.db2.gz DCXQZTFBZJADFR-ZIAGYGMSSA-N 2 1 329.435 1.953 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000997645150 703954896 /nfs/dbraw/zinc/95/48/96/703954896.db2.gz MSCDFTSNNZDKMY-OAHLLOKOSA-N 2 1 345.434 1.191 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000997645150 703954898 /nfs/dbraw/zinc/95/48/98/703954898.db2.gz MSCDFTSNNZDKMY-OAHLLOKOSA-N 2 1 345.434 1.191 20 0 EDADMP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C)C1CCCC1 ZINC001032521567 703974339 /nfs/dbraw/zinc/97/43/39/703974339.db2.gz CXXOBANDHUIHDP-BZSNNMDCSA-N 2 1 346.475 1.682 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C)C1CCCC1 ZINC001032521567 703974343 /nfs/dbraw/zinc/97/43/43/703974343.db2.gz CXXOBANDHUIHDP-BZSNNMDCSA-N 2 1 346.475 1.682 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033069851 704098520 /nfs/dbraw/zinc/09/85/20/704098520.db2.gz MASAMQAOSMWTJU-MSOLQXFVSA-N 2 1 347.507 1.368 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033069851 704098523 /nfs/dbraw/zinc/09/85/23/704098523.db2.gz MASAMQAOSMWTJU-MSOLQXFVSA-N 2 1 347.507 1.368 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033069851 704098527 /nfs/dbraw/zinc/09/85/27/704098527.db2.gz MASAMQAOSMWTJU-MSOLQXFVSA-N 2 1 347.507 1.368 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033079003 704130854 /nfs/dbraw/zinc/13/08/54/704130854.db2.gz YZBIIHIZWYKQJP-HZPDHXFCSA-N 2 1 325.497 1.819 20 0 EDADMP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033085020 704156327 /nfs/dbraw/zinc/15/63/27/704156327.db2.gz NOCDYZDUSYEONH-MRXNPFEDSA-N 2 1 333.480 1.391 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCOCC3)C2)CC[N@H+]1C ZINC001033099922 704224704 /nfs/dbraw/zinc/22/47/04/704224704.db2.gz SQJOREYAGDISMC-OKZBNKHCSA-N 2 1 337.508 1.676 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CCOCC3)C2)CC[NH+]1C ZINC001033099922 704224706 /nfs/dbraw/zinc/22/47/06/704224706.db2.gz SQJOREYAGDISMC-OKZBNKHCSA-N 2 1 337.508 1.676 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CCOCC3)C2)CC[NH+]1C ZINC001033099922 704224707 /nfs/dbraw/zinc/22/47/07/704224707.db2.gz SQJOREYAGDISMC-OKZBNKHCSA-N 2 1 337.508 1.676 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)on2)C1 ZINC000999300826 706803250 /nfs/dbraw/zinc/80/32/50/706803250.db2.gz BEDROGZZFNKPMV-NVXWUHKLSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)on2)C1 ZINC000999300826 706803253 /nfs/dbraw/zinc/80/32/53/706803253.db2.gz BEDROGZZFNKPMV-NVXWUHKLSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NC[C@H](C)[NH+](C)C)C2)[C@H]1C(C)C ZINC000922743377 704309814 /nfs/dbraw/zinc/30/98/14/704309814.db2.gz PNRVIOOMWGXOSJ-JMIFQINSSA-N 2 1 340.512 1.106 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CC3CCCCC3)C(C)(C)C2)C1 ZINC000995596400 704563397 /nfs/dbraw/zinc/56/33/97/704563397.db2.gz HERXELZRJIVNPH-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CC3CCCCC3)C(C)(C)C2)C1 ZINC000995596400 704563398 /nfs/dbraw/zinc/56/33/98/704563398.db2.gz HERXELZRJIVNPH-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1C[N@@H+](CCC(C)(C)C)C[C@@H]1O ZINC001047553658 704638519 /nfs/dbraw/zinc/63/85/19/704638519.db2.gz QDILZVWTMZPIMT-IRXDYDNUSA-N 2 1 339.524 1.658 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1 ZINC000997778491 704680336 /nfs/dbraw/zinc/68/03/36/704680336.db2.gz ZGAUPWWALQECLM-GOSISDBHSA-N 2 1 347.507 1.621 20 0 EDADMP Cn1nccc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997863664 704771121 /nfs/dbraw/zinc/77/11/21/704771121.db2.gz CNARGNKEOMGHHL-QGZVFWFLSA-N 2 1 333.480 1.233 20 0 EDADMP CCc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997861407 704771882 /nfs/dbraw/zinc/77/18/82/704771882.db2.gz RPOJDUYPMNWBSJ-HOCLYGCPSA-N 2 1 348.491 1.905 20 0 EDADMP CCc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997861407 704771883 /nfs/dbraw/zinc/77/18/83/704771883.db2.gz RPOJDUYPMNWBSJ-HOCLYGCPSA-N 2 1 348.491 1.905 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997861940 704772098 /nfs/dbraw/zinc/77/20/98/704772098.db2.gz WZRYIRQDLMEPAC-SUMWQHHRSA-N 2 1 348.491 1.960 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](O)c1ccc(F)cc1 ZINC001032564588 704820064 /nfs/dbraw/zinc/82/00/64/704820064.db2.gz SGXZXKUPQZOLAD-WNRNVDISSA-N 2 1 347.434 1.238 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](O)c1ccc(F)cc1 ZINC001032564588 704820071 /nfs/dbraw/zinc/82/00/71/704820071.db2.gz SGXZXKUPQZOLAD-WNRNVDISSA-N 2 1 347.434 1.238 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)c1ccc(F)cc1 ZINC001032564588 704820078 /nfs/dbraw/zinc/82/00/78/704820078.db2.gz SGXZXKUPQZOLAD-WNRNVDISSA-N 2 1 347.434 1.238 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)c1ccc(F)cc1 ZINC001032564588 704820084 /nfs/dbraw/zinc/82/00/84/704820084.db2.gz SGXZXKUPQZOLAD-WNRNVDISSA-N 2 1 347.434 1.238 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCOC2CCC2)C[C@H]1C ZINC000944964109 704831882 /nfs/dbraw/zinc/83/18/82/704831882.db2.gz GNHPITPSIABWEQ-PBHICJAKSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCOC2CCC2)C[C@H]1C ZINC000944964109 704831889 /nfs/dbraw/zinc/83/18/89/704831889.db2.gz GNHPITPSIABWEQ-PBHICJAKSA-N 2 1 334.464 1.587 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945029622 704956914 /nfs/dbraw/zinc/95/69/14/704956914.db2.gz UYWXUWDUCISWCU-MAUKXSAKSA-N 2 1 333.476 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1 ZINC000997916424 704982166 /nfs/dbraw/zinc/98/21/66/704982166.db2.gz UANJOSUDHPGLAI-UHFFFAOYSA-N 2 1 345.422 1.754 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCC2)C1 ZINC001032587013 705106606 /nfs/dbraw/zinc/10/66/06/705106606.db2.gz GUPOJFXSYABARI-GBESFXJTSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCC2)C1 ZINC001032587013 705106608 /nfs/dbraw/zinc/10/66/08/705106608.db2.gz GUPOJFXSYABARI-GBESFXJTSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCC2)C1 ZINC001032587013 705106610 /nfs/dbraw/zinc/10/66/10/705106610.db2.gz GUPOJFXSYABARI-GBESFXJTSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCC2)C1 ZINC001032587013 705106613 /nfs/dbraw/zinc/10/66/13/705106613.db2.gz GUPOJFXSYABARI-GBESFXJTSA-N 2 1 349.519 1.961 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000998032079 705217015 /nfs/dbraw/zinc/21/70/15/705217015.db2.gz OZNCTWMLEMOJQW-UHFFFAOYSA-N 2 1 349.479 1.302 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000998076559 705296229 /nfs/dbraw/zinc/29/62/29/705296229.db2.gz ACDVQJHOLUUFIU-CXAGYDPISA-N 2 1 334.464 1.509 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000998078242 705299116 /nfs/dbraw/zinc/29/91/16/705299116.db2.gz KHYPLIJKCMHGIA-BBRMVZONSA-N 2 1 336.505 1.669 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)no1 ZINC000998080546 705306304 /nfs/dbraw/zinc/30/63/04/705306304.db2.gz DDHFEFURGWUWGZ-KBPBESRZSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)no1 ZINC000998080546 705306309 /nfs/dbraw/zinc/30/63/09/705306309.db2.gz DDHFEFURGWUWGZ-KBPBESRZSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)on1 ZINC000998082512 705310414 /nfs/dbraw/zinc/31/04/14/705310414.db2.gz QDSUWWWRTJODMB-DYVFJYSZSA-N 2 1 334.464 1.509 20 0 EDADMP CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998092816 705330296 /nfs/dbraw/zinc/33/02/96/705330296.db2.gz GEYJDQWXNDNRPM-DLBZAZTESA-N 2 1 348.491 1.449 20 0 EDADMP CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998092816 705330303 /nfs/dbraw/zinc/33/03/03/705330303.db2.gz GEYJDQWXNDNRPM-DLBZAZTESA-N 2 1 348.491 1.449 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000998216702 705538716 /nfs/dbraw/zinc/53/87/16/705538716.db2.gz KDUDRZRHICXNHF-XJKSGUPXSA-N 2 1 349.479 1.609 20 0 EDADMP CC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C(F)(F)F ZINC000998266666 705635464 /nfs/dbraw/zinc/63/54/64/705635464.db2.gz KWELXHACOUTZQJ-YPMHNXCESA-N 2 1 348.369 1.739 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000998265918 705637304 /nfs/dbraw/zinc/63/73/04/705637304.db2.gz NDDPTJBGHWQRTC-HNNXBMFYSA-N 2 1 329.435 1.812 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)on1 ZINC000998268654 705645145 /nfs/dbraw/zinc/64/51/45/705645145.db2.gz HVANBZIDOMZUOJ-UHFFFAOYSA-N 2 1 331.420 1.516 20 0 EDADMP CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C(F)(F)F ZINC000998308268 705721374 /nfs/dbraw/zinc/72/13/74/705721374.db2.gz ZBYQVODUJRWOKA-OLZOCXBDSA-N 2 1 337.386 1.098 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)Cc1ccccc1)[NH+](C)C ZINC001032635169 705922804 /nfs/dbraw/zinc/92/28/04/705922804.db2.gz WWXCDFFXGNQZTF-VJANTYMQSA-N 2 1 345.487 1.215 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)Cc1ccccc1)[NH+](C)C ZINC001032635169 705922808 /nfs/dbraw/zinc/92/28/08/705922808.db2.gz WWXCDFFXGNQZTF-VJANTYMQSA-N 2 1 345.487 1.215 20 0 EDADMP CCn1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000998762288 706200208 /nfs/dbraw/zinc/20/02/08/706200208.db2.gz AQKHTYQVHBWOEK-BDVYOWHSSA-N 2 1 348.495 1.250 20 0 EDADMP CCn1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000998762288 706200213 /nfs/dbraw/zinc/20/02/13/706200213.db2.gz AQKHTYQVHBWOEK-BDVYOWHSSA-N 2 1 348.495 1.250 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998763226 706202120 /nfs/dbraw/zinc/20/21/20/706202120.db2.gz MNVJCLPFZTXDBR-DAWZGUTISA-N 2 1 347.507 1.680 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998902503 706339028 /nfs/dbraw/zinc/33/90/28/706339028.db2.gz VNXWVQVRFRPNDD-ADKAHSJRSA-N 2 1 347.507 1.762 20 0 EDADMP CCCn1ncnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000998992866 706424930 /nfs/dbraw/zinc/42/49/30/706424930.db2.gz APXKQZWGTUIZEJ-GPANFISMSA-N 2 1 348.495 1.251 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000999050850 706471420 /nfs/dbraw/zinc/47/14/20/706471420.db2.gz MKPUPUDHFBEVCF-GRTSSRMGSA-N 2 1 347.463 1.646 20 0 EDADMP Cc1ccnc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000999051940 706472718 /nfs/dbraw/zinc/47/27/18/706472718.db2.gz WXKPPDVKPYARLE-UHFFFAOYSA-N 2 1 343.475 1.492 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000999048082 706489211 /nfs/dbraw/zinc/48/92/11/706489211.db2.gz OUSXQAGARJOQQG-LRVUVFPRSA-N 2 1 347.463 1.646 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2ccc(C)nc2C)C1 ZINC000999128798 706530264 /nfs/dbraw/zinc/53/02/64/706530264.db2.gz ZIYVNTXDBSHWIE-UHFFFAOYSA-N 2 1 341.459 1.983 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)ncn1 ZINC000999144266 706558114 /nfs/dbraw/zinc/55/81/14/706558114.db2.gz KYRZFIRSURMZHZ-AEFFLSMTSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999146883 706560556 /nfs/dbraw/zinc/56/05/56/706560556.db2.gz YTGIOPFLFCVBEW-GOEBONIOSA-N 2 1 335.452 1.331 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999146883 706560557 /nfs/dbraw/zinc/56/05/57/706560557.db2.gz YTGIOPFLFCVBEW-GOEBONIOSA-N 2 1 335.452 1.331 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC000999354164 706843136 /nfs/dbraw/zinc/84/31/36/706843136.db2.gz PJKLKSVTHDUJIW-HZPDHXFCSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC000999354164 706843137 /nfs/dbraw/zinc/84/31/37/706843137.db2.gz PJKLKSVTHDUJIW-HZPDHXFCSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999355257 706844671 /nfs/dbraw/zinc/84/46/71/706844671.db2.gz TZHLYWJCGVPNNM-QZTJIDSGSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1ccnc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000999342630 706854661 /nfs/dbraw/zinc/85/46/61/706854661.db2.gz LOPWXRPUNQQTEY-UHFFFAOYSA-N 2 1 331.464 1.206 20 0 EDADMP C[C@@H]([NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1)c1csnn1 ZINC000999342621 706854707 /nfs/dbraw/zinc/85/47/07/706854707.db2.gz LNDCMYCCYQQQJW-LMWSTFAQSA-N 2 1 337.493 1.520 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)s1 ZINC000999375916 706870089 /nfs/dbraw/zinc/87/00/89/706870089.db2.gz TYGDXEURXLVMFF-UKRRQHHQSA-N 2 1 337.493 1.267 20 0 EDADMP Cn1nccc1CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999362444 706875925 /nfs/dbraw/zinc/87/59/25/706875925.db2.gz AUAXXVRVTIQHSV-HNNXBMFYSA-N 2 1 333.480 1.028 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)cn1 ZINC000999366022 706879994 /nfs/dbraw/zinc/87/99/94/706879994.db2.gz SQQDYWSVDPEAHG-MRXNPFEDSA-N 2 1 346.475 1.655 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2coc(C3CC3)n2)C1)C1CC1 ZINC000999371980 706886321 /nfs/dbraw/zinc/88/63/21/706886321.db2.gz NRSHESKMJMYRND-NVXWUHKLSA-N 2 1 346.475 1.973 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)[nH]1 ZINC000999399572 706894248 /nfs/dbraw/zinc/89/42/48/706894248.db2.gz ILYZLTPXHNYWRJ-CABCVRRESA-N 2 1 334.468 1.068 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC000999399572 706894251 /nfs/dbraw/zinc/89/42/51/706894251.db2.gz ILYZLTPXHNYWRJ-CABCVRRESA-N 2 1 334.468 1.068 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)ncn1 ZINC000999405724 706914743 /nfs/dbraw/zinc/91/47/43/706914743.db2.gz GUXQXCBFBQEUGJ-UQPPLGOBSA-N 2 1 331.464 1.348 20 0 EDADMP COc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999506400 707003768 /nfs/dbraw/zinc/00/37/68/707003768.db2.gz AOGGPWKKTXSUCI-DLBZAZTESA-N 2 1 346.475 1.655 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000999506343 707004109 /nfs/dbraw/zinc/00/41/09/707004109.db2.gz ABGLDLPTCPFZSA-RDJZCZTQSA-N 2 1 348.495 1.424 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC000999506343 707004111 /nfs/dbraw/zinc/00/41/11/707004111.db2.gz ABGLDLPTCPFZSA-RDJZCZTQSA-N 2 1 348.495 1.424 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999572282 707078240 /nfs/dbraw/zinc/07/82/40/707078240.db2.gz CHENYJRFSFCZRU-MSOLQXFVSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999575583 707082122 /nfs/dbraw/zinc/08/21/22/707082122.db2.gz OYMJGMZHTSJDAB-IRXDYDNUSA-N 2 1 345.491 1.678 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999575583 707082124 /nfs/dbraw/zinc/08/21/24/707082124.db2.gz OYMJGMZHTSJDAB-IRXDYDNUSA-N 2 1 345.491 1.678 20 0 EDADMP CC[C@H](C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1)OC ZINC001033271269 707302401 /nfs/dbraw/zinc/30/24/01/707302401.db2.gz IKKCISMEZFAXGN-DLBZAZTESA-N 2 1 330.432 1.906 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)c3ccc4c[nH+]cn4c3)C2)o1 ZINC001033272860 707330358 /nfs/dbraw/zinc/33/03/58/707330358.db2.gz PXCFPZUHXWXNTD-INIZCTEOSA-N 2 1 339.399 1.977 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)c3ccc4c[nH+]cn4c3)C2)o1 ZINC001033272860 707330361 /nfs/dbraw/zinc/33/03/61/707330361.db2.gz PXCFPZUHXWXNTD-INIZCTEOSA-N 2 1 339.399 1.977 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296288 707405864 /nfs/dbraw/zinc/40/58/64/707405864.db2.gz SHRGPSPGFIPXNS-FUHWJXTLSA-N 2 1 346.475 1.890 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296288 707405868 /nfs/dbraw/zinc/40/58/68/707405868.db2.gz SHRGPSPGFIPXNS-FUHWJXTLSA-N 2 1 346.475 1.890 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999837291 707407900 /nfs/dbraw/zinc/40/79/00/707407900.db2.gz PIWXILRJPASDLV-UHFFFAOYSA-N 2 1 342.443 1.463 20 0 EDADMP Cc1nsc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999837561 707408390 /nfs/dbraw/zinc/40/83/90/707408390.db2.gz PMFMTXBFOMIJJP-WLYUNCDWSA-N 2 1 336.505 1.791 20 0 EDADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000999838572 707410352 /nfs/dbraw/zinc/41/03/52/707410352.db2.gz XZZTVSFRTGFKCK-FHERZECASA-N 2 1 332.448 1.121 20 0 EDADMP COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297757 707434136 /nfs/dbraw/zinc/43/41/36/707434136.db2.gz SYLXKAZZAXCNFU-WMZOPIPTSA-N 2 1 347.503 1.972 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]CCn2cc(Cl)cn2)C1 ZINC000999833542 707465881 /nfs/dbraw/zinc/46/58/81/707465881.db2.gz YTYUIDHJVVYLFJ-GRTSSRMGSA-N 2 1 339.871 1.067 20 0 EDADMP CC(C)c1noc([C@H](C)[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)n1 ZINC000999834122 707466960 /nfs/dbraw/zinc/46/69/60/707466960.db2.gz RYFWNCFQZZLYAO-NFOMZHRRSA-N 2 1 349.479 1.929 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2ccc(F)cn2)C1 ZINC000999835862 707470365 /nfs/dbraw/zinc/47/03/65/707470365.db2.gz HGNZHHYTNQUWPV-UHFFFAOYSA-N 2 1 331.395 1.505 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)o2)C1 ZINC000999876202 707523094 /nfs/dbraw/zinc/52/30/94/707523094.db2.gz ICAMNSZOUIXIIP-YMAMQOFZSA-N 2 1 335.452 1.331 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)o2)C1 ZINC000999876202 707523096 /nfs/dbraw/zinc/52/30/96/707523096.db2.gz ICAMNSZOUIXIIP-YMAMQOFZSA-N 2 1 335.452 1.331 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cncn1C ZINC001004896275 707579340 /nfs/dbraw/zinc/57/93/40/707579340.db2.gz NKNRWSYNHGXDQX-DOTOQJQBSA-N 2 1 344.463 1.484 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC000999972030 707582772 /nfs/dbraw/zinc/58/27/72/707582772.db2.gz FLRVNFUSOCFHFB-HZPDHXFCSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC000999972030 707582774 /nfs/dbraw/zinc/58/27/74/707582774.db2.gz FLRVNFUSOCFHFB-HZPDHXFCSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cncn3C)C2)C1 ZINC001033353632 707608785 /nfs/dbraw/zinc/60/87/85/707608785.db2.gz HYZFMBDJAXFIOU-IAGOWNOFSA-N 2 1 347.507 1.575 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cncn3C)C2)C1 ZINC001033353632 707608789 /nfs/dbraw/zinc/60/87/89/707608789.db2.gz HYZFMBDJAXFIOU-IAGOWNOFSA-N 2 1 347.507 1.575 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cncn3C)C2)C1 ZINC001033353632 707608790 /nfs/dbraw/zinc/60/87/90/707608790.db2.gz HYZFMBDJAXFIOU-IAGOWNOFSA-N 2 1 347.507 1.575 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cncn3C)C2)C1 ZINC001033353632 707608794 /nfs/dbraw/zinc/60/87/94/707608794.db2.gz HYZFMBDJAXFIOU-IAGOWNOFSA-N 2 1 347.507 1.575 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CC3CCC3)C2)nn1 ZINC000999960694 707623831 /nfs/dbraw/zinc/62/38/31/707623831.db2.gz FAOALPHTCJNVHQ-SJORKVTESA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CC3CCC3)C2)nn1 ZINC000999960694 707623835 /nfs/dbraw/zinc/62/38/35/707623835.db2.gz FAOALPHTCJNVHQ-SJORKVTESA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CC3CCC3)C2)nn1 ZINC000999960694 707623842 /nfs/dbraw/zinc/62/38/42/707623842.db2.gz FAOALPHTCJNVHQ-SJORKVTESA-N 2 1 346.479 1.035 20 0 EDADMP C[C@@H]([NH2+]Cc1csnn1)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004976381 707810169 /nfs/dbraw/zinc/81/01/69/707810169.db2.gz FPBLQQAHTNRRCG-UKRRQHHQSA-N 2 1 349.504 1.493 20 0 EDADMP C[C@H]([NH2+]Cc1ccon1)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004977813 707814337 /nfs/dbraw/zinc/81/43/37/707814337.db2.gz JZIHWRMPVYWLEL-GOEBONIOSA-N 2 1 332.448 1.630 20 0 EDADMP Cc1ccnc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)n1 ZINC001004990324 707851426 /nfs/dbraw/zinc/85/14/26/707851426.db2.gz HVZOBCYMRBWTHD-IAGOWNOFSA-N 2 1 345.491 1.740 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033475013 707964798 /nfs/dbraw/zinc/96/47/98/707964798.db2.gz NTMSSZPQYDYBDZ-KRWDZBQOSA-N 2 1 337.508 1.820 20 0 EDADMP CCc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032782141 707971957 /nfs/dbraw/zinc/97/19/57/707971957.db2.gz VXIJKFASWNKJSR-QYZOEREBSA-N 2 1 327.472 1.986 20 0 EDADMP CCc1ccccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001032782141 707971958 /nfs/dbraw/zinc/97/19/58/707971958.db2.gz VXIJKFASWNKJSR-QYZOEREBSA-N 2 1 327.472 1.986 20 0 EDADMP CCc1ccccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032782141 707971961 /nfs/dbraw/zinc/97/19/61/707971961.db2.gz VXIJKFASWNKJSR-QYZOEREBSA-N 2 1 327.472 1.986 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCC2)C1 ZINC001032793255 708052954 /nfs/dbraw/zinc/05/29/54/708052954.db2.gz XXLIVNNWYYZWHO-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCC2)C1 ZINC001032793255 708052956 /nfs/dbraw/zinc/05/29/56/708052956.db2.gz XXLIVNNWYYZWHO-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCC2)C1 ZINC001032793255 708052958 /nfs/dbraw/zinc/05/29/58/708052958.db2.gz XXLIVNNWYYZWHO-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCC2)C1 ZINC001032793255 708052960 /nfs/dbraw/zinc/05/29/60/708052960.db2.gz XXLIVNNWYYZWHO-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCOC1 ZINC001032801262 708082608 /nfs/dbraw/zinc/08/26/08/708082608.db2.gz NFNZPAKNOOJMCL-BZSNNMDCSA-N 2 1 335.492 1.574 20 0 EDADMP CO[C@@H](C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001001139112 708099503 /nfs/dbraw/zinc/09/95/03/708099503.db2.gz JQBUQUBKLUYQKH-ZFWWWQNUSA-N 2 1 332.448 1.613 20 0 EDADMP Cc1ncoc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001824085 708326062 /nfs/dbraw/zinc/32/60/62/708326062.db2.gz BGPGLCHOXPGBMG-CZUORRHYSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC001001826240 708329227 /nfs/dbraw/zinc/32/92/27/708329227.db2.gz TZYRNKZKRXJZFL-SUMWQHHRSA-N 2 1 334.464 1.509 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]cnc2C)C1)C1CCC1 ZINC001033615911 708341508 /nfs/dbraw/zinc/34/15/08/708341508.db2.gz DBZOTAXNIMBDOX-NVXWUHKLSA-N 2 1 334.464 1.608 20 0 EDADMP Cc1ccncc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001831890 708357559 /nfs/dbraw/zinc/35/75/59/708357559.db2.gz BFXZTJUHYBTEMO-LPHOPBHVSA-N 2 1 344.503 1.916 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001033666787 708452579 /nfs/dbraw/zinc/45/25/79/708452579.db2.gz ZJZDOKOVXSFXEY-DLBZAZTESA-N 2 1 331.460 1.680 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033666787 708452583 /nfs/dbraw/zinc/45/25/83/708452583.db2.gz ZJZDOKOVXSFXEY-DLBZAZTESA-N 2 1 331.460 1.680 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033666787 708452585 /nfs/dbraw/zinc/45/25/85/708452585.db2.gz ZJZDOKOVXSFXEY-DLBZAZTESA-N 2 1 331.460 1.680 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001033667042 708453705 /nfs/dbraw/zinc/45/37/05/708453705.db2.gz CVJUJXPZOPNNHE-IAGOWNOFSA-N 2 1 334.464 1.541 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001033667042 708453706 /nfs/dbraw/zinc/45/37/06/708453706.db2.gz CVJUJXPZOPNNHE-IAGOWNOFSA-N 2 1 334.464 1.541 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC001033672385 708464166 /nfs/dbraw/zinc/46/41/66/708464166.db2.gz PFPCAFVHJZZMFH-RBUKOAKNSA-N 2 1 345.487 1.483 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC001033672385 708464169 /nfs/dbraw/zinc/46/41/69/708464169.db2.gz PFPCAFVHJZZMFH-RBUKOAKNSA-N 2 1 345.487 1.483 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001033672385 708464170 /nfs/dbraw/zinc/46/41/70/708464170.db2.gz PFPCAFVHJZZMFH-RBUKOAKNSA-N 2 1 345.487 1.483 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001033672385 708464173 /nfs/dbraw/zinc/46/41/73/708464173.db2.gz PFPCAFVHJZZMFH-RBUKOAKNSA-N 2 1 345.487 1.483 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033684415 708496903 /nfs/dbraw/zinc/49/69/03/708496903.db2.gz FFCSINIZHFKPQW-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033684415 708496906 /nfs/dbraw/zinc/49/69/06/708496906.db2.gz FFCSINIZHFKPQW-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033684415 708496908 /nfs/dbraw/zinc/49/69/08/708496908.db2.gz FFCSINIZHFKPQW-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033684415 708496912 /nfs/dbraw/zinc/49/69/12/708496912.db2.gz FFCSINIZHFKPQW-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033684418 708497079 /nfs/dbraw/zinc/49/70/79/708497079.db2.gz FFCSINIZHFKPQW-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033684418 708497083 /nfs/dbraw/zinc/49/70/83/708497083.db2.gz FFCSINIZHFKPQW-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033684418 708497087 /nfs/dbraw/zinc/49/70/87/708497087.db2.gz FFCSINIZHFKPQW-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033684418 708497089 /nfs/dbraw/zinc/49/70/89/708497089.db2.gz FFCSINIZHFKPQW-ZWKOTPCHSA-N 2 1 330.476 1.989 20 0 EDADMP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033685028 708498207 /nfs/dbraw/zinc/49/82/07/708498207.db2.gz RLICTDVRPDGCDF-MJGOQNOKSA-N 2 1 345.487 1.931 20 0 EDADMP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001002121156 708634965 /nfs/dbraw/zinc/63/49/65/708634965.db2.gz OWNCKAZMRDHCRN-QGZVFWFLSA-N 2 1 346.475 1.370 20 0 EDADMP CCOC1CC(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001002125838 708640877 /nfs/dbraw/zinc/64/08/77/708640877.db2.gz KQGNXZIWTNZONL-LXPRWKDFSA-N 2 1 337.508 1.581 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001002128819 708645674 /nfs/dbraw/zinc/64/56/74/708645674.db2.gz ZQQUHLBFSSNZMB-DLBZAZTESA-N 2 1 337.508 1.581 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](C/C=C\Cl)CC2)C1 ZINC001002138767 708675956 /nfs/dbraw/zinc/67/59/56/708675956.db2.gz MWOXQXCTXQUQKK-OMVNSRBRSA-N 2 1 329.872 1.288 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](C/C=C\Cl)CC2)C1 ZINC001002138767 708675957 /nfs/dbraw/zinc/67/59/57/708675957.db2.gz MWOXQXCTXQUQKK-OMVNSRBRSA-N 2 1 329.872 1.288 20 0 EDADMP CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002139108 708676318 /nfs/dbraw/zinc/67/63/18/708676318.db2.gz RQZFXBJPVKDQQJ-DOTOQJQBSA-N 2 1 325.497 1.581 20 0 EDADMP CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001002139108 708676314 /nfs/dbraw/zinc/67/63/14/708676314.db2.gz RQZFXBJPVKDQQJ-DOTOQJQBSA-N 2 1 325.497 1.581 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001005474935 709111242 /nfs/dbraw/zinc/11/12/42/709111242.db2.gz FGBMFWBBSOOQRE-RDJZCZTQSA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001033939872 709145422 /nfs/dbraw/zinc/14/54/22/709145422.db2.gz DBMKKFVLJIKEPG-OAHLLOKOSA-N 2 1 336.505 1.908 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001033939872 709145424 /nfs/dbraw/zinc/14/54/24/709145424.db2.gz DBMKKFVLJIKEPG-OAHLLOKOSA-N 2 1 336.505 1.908 20 0 EDADMP C[C@@]12CN(C(=O)[C@H]3CCC[NH2+]C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702083417 709329551 /nfs/dbraw/zinc/32/95/51/709329551.db2.gz XFWIYZXSVUTAIT-CMKODMSKSA-N 2 1 327.472 1.967 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001002834883 709450583 /nfs/dbraw/zinc/45/05/83/709450583.db2.gz UFZKUIZBFXKHGM-QGZVFWFLSA-N 2 1 332.448 1.405 20 0 EDADMP CCOC1CC(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001002850929 709461453 /nfs/dbraw/zinc/46/14/53/709461453.db2.gz DKUAFSQFDAJDQG-VSVYTNTFSA-N 2 1 337.508 1.722 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002852436 709462384 /nfs/dbraw/zinc/46/23/84/709462384.db2.gz PWVQQPTYOWVVDU-TZMCWYRMSA-N 2 1 337.493 1.267 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002852436 709462386 /nfs/dbraw/zinc/46/23/86/709462386.db2.gz PWVQQPTYOWVVDU-TZMCWYRMSA-N 2 1 337.493 1.267 20 0 EDADMP COCC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034251110 709650702 /nfs/dbraw/zinc/65/07/02/709650702.db2.gz VWOMGZVZFURIMR-DLBZAZTESA-N 2 1 325.497 1.866 20 0 EDADMP COCC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251110 709650705 /nfs/dbraw/zinc/65/07/05/709650705.db2.gz VWOMGZVZFURIMR-DLBZAZTESA-N 2 1 325.497 1.866 20 0 EDADMP COCC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251110 709650708 /nfs/dbraw/zinc/65/07/08/709650708.db2.gz VWOMGZVZFURIMR-DLBZAZTESA-N 2 1 325.497 1.866 20 0 EDADMP COC(=O)COc1ccccc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000922099008 709675448 /nfs/dbraw/zinc/67/54/48/709675448.db2.gz NDIZTSRCVIZFKP-UHFFFAOYSA-N 2 1 349.475 1.354 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001003010783 709782714 /nfs/dbraw/zinc/78/27/14/709782714.db2.gz KYROWHBYNRGWAU-KRWDZBQOSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001003010783 709782715 /nfs/dbraw/zinc/78/27/15/709782715.db2.gz KYROWHBYNRGWAU-KRWDZBQOSA-N 2 1 347.507 1.764 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[NH+](CCOC)C2)C1 ZINC001034369766 709855870 /nfs/dbraw/zinc/85/58/70/709855870.db2.gz UZKXCUHCRVUFEI-IRXDYDNUSA-N 2 1 325.497 1.726 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCCC[N@H+](C[C@@H]2CCOC2)C1 ZINC001034366123 709889285 /nfs/dbraw/zinc/88/92/85/709889285.db2.gz WXQRZEBPPUGLMD-RDJZCZTQSA-N 2 1 349.475 1.962 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001034366123 709889292 /nfs/dbraw/zinc/88/92/92/709889292.db2.gz WXQRZEBPPUGLMD-RDJZCZTQSA-N 2 1 349.475 1.962 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034397290 709938080 /nfs/dbraw/zinc/93/80/80/709938080.db2.gz KBYZPCQHEXANLN-MAUKXSAKSA-N 2 1 343.487 1.552 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@H]2CCCC[N@H+](CCCO)C2)C1 ZINC001034397290 709938081 /nfs/dbraw/zinc/93/80/81/709938081.db2.gz KBYZPCQHEXANLN-MAUKXSAKSA-N 2 1 343.487 1.552 20 0 EDADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)C1 ZINC001034397290 709938082 /nfs/dbraw/zinc/93/80/82/709938082.db2.gz KBYZPCQHEXANLN-MAUKXSAKSA-N 2 1 343.487 1.552 20 0 EDADMP CCc1nocc1C[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034486821 710133917 /nfs/dbraw/zinc/13/39/17/710133917.db2.gz MEVWEJCTOASJRB-INIZCTEOSA-N 2 1 346.475 1.804 20 0 EDADMP CCc1nocc1C[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034486821 710133919 /nfs/dbraw/zinc/13/39/19/710133919.db2.gz MEVWEJCTOASJRB-INIZCTEOSA-N 2 1 346.475 1.804 20 0 EDADMP CCc1nocc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525453 710175228 /nfs/dbraw/zinc/17/52/28/710175228.db2.gz NAAZUUMOAJEMGH-ZBFHGGJFSA-N 2 1 334.464 1.659 20 0 EDADMP CCc1nocc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034525453 710175231 /nfs/dbraw/zinc/17/52/31/710175231.db2.gz NAAZUUMOAJEMGH-ZBFHGGJFSA-N 2 1 334.464 1.659 20 0 EDADMP CCc1nocc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034525453 710175234 /nfs/dbraw/zinc/17/52/34/710175234.db2.gz NAAZUUMOAJEMGH-ZBFHGGJFSA-N 2 1 334.464 1.659 20 0 EDADMP CCc1nocc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525450 710175719 /nfs/dbraw/zinc/17/57/19/710175719.db2.gz NAAZUUMOAJEMGH-GDBMZVCRSA-N 2 1 334.464 1.659 20 0 EDADMP CCc1nocc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034525450 710175720 /nfs/dbraw/zinc/17/57/20/710175720.db2.gz NAAZUUMOAJEMGH-GDBMZVCRSA-N 2 1 334.464 1.659 20 0 EDADMP CCc1nocc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034525450 710175722 /nfs/dbraw/zinc/17/57/22/710175722.db2.gz NAAZUUMOAJEMGH-GDBMZVCRSA-N 2 1 334.464 1.659 20 0 EDADMP Cc1nnsc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034526065 710177395 /nfs/dbraw/zinc/17/73/95/710177395.db2.gz SOVCEPJYQLVWKS-UONOGXRCSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1nnsc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034526065 710177399 /nfs/dbraw/zinc/17/73/99/710177399.db2.gz SOVCEPJYQLVWKS-UONOGXRCSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1nnsc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034526065 710177402 /nfs/dbraw/zinc/17/74/02/710177402.db2.gz SOVCEPJYQLVWKS-UONOGXRCSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1nnsc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034526065 710177405 /nfs/dbraw/zinc/17/74/05/710177405.db2.gz SOVCEPJYQLVWKS-UONOGXRCSA-N 2 1 337.493 1.269 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1)C1CCC1 ZINC001032840118 710289058 /nfs/dbraw/zinc/28/90/58/710289058.db2.gz SXZVQKQHBMOKEA-OWLYRPNTSA-N 2 1 337.508 1.722 20 0 EDADMP CO[C@@H](C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C1CCC1 ZINC001032840118 710289061 /nfs/dbraw/zinc/28/90/61/710289061.db2.gz SXZVQKQHBMOKEA-OWLYRPNTSA-N 2 1 337.508 1.722 20 0 EDADMP CO[C@@H](C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C1CCC1 ZINC001032840118 710289062 /nfs/dbraw/zinc/28/90/62/710289062.db2.gz SXZVQKQHBMOKEA-OWLYRPNTSA-N 2 1 337.508 1.722 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001003374972 710293031 /nfs/dbraw/zinc/29/30/31/710293031.db2.gz FLVPUADZTUSXEC-GOSISDBHSA-N 2 1 345.491 1.375 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034642160 710317887 /nfs/dbraw/zinc/31/78/87/710317887.db2.gz ADBQYMFQWIXNBB-JFIYKMOQSA-N 2 1 347.507 1.810 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001034642737 710318447 /nfs/dbraw/zinc/31/84/47/710318447.db2.gz KHGPBVIXTNWQBF-ZOBUZTSGSA-N 2 1 349.479 1.768 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cn(C)nn2)CC1 ZINC001034643357 710319484 /nfs/dbraw/zinc/31/94/84/710319484.db2.gz SKLRDSWTXZGJJA-ZOBUZTSGSA-N 2 1 348.495 1.205 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1 ZINC001034646150 710322293 /nfs/dbraw/zinc/32/22/93/710322293.db2.gz DDQXOBIPUUHNTM-BRSBDYLESA-N 2 1 337.508 1.913 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001034647529 710324284 /nfs/dbraw/zinc/32/42/84/710324284.db2.gz KDSZMIWYOBKZST-NMFUWQPSSA-N 2 1 335.452 1.235 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001034647529 710324286 /nfs/dbraw/zinc/32/42/86/710324286.db2.gz KDSZMIWYOBKZST-NMFUWQPSSA-N 2 1 335.452 1.235 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)on1 ZINC001003627653 710457939 /nfs/dbraw/zinc/45/79/39/710457939.db2.gz IFNQAXBESLELLI-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)on1 ZINC001003627653 710457941 /nfs/dbraw/zinc/45/79/41/710457941.db2.gz IFNQAXBESLELLI-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP COC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003739394 710519999 /nfs/dbraw/zinc/51/99/99/710519999.db2.gz CQSRTSJFSWNJSY-DOTOQJQBSA-N 2 1 325.497 1.865 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000922270267 710557232 /nfs/dbraw/zinc/55/72/32/710557232.db2.gz SNVXSZOAAXFYPB-ROKHWSDSSA-N 2 1 348.413 1.795 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001034659010 710588163 /nfs/dbraw/zinc/58/81/63/710588163.db2.gz CKQXGJUOOOHHCZ-BFYDXBDKSA-N 2 1 341.471 1.616 20 0 EDADMP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005586089 710633406 /nfs/dbraw/zinc/63/34/06/710633406.db2.gz UPCAHUHRULHLJW-BFYDXBDKSA-N 2 1 325.497 1.674 20 0 EDADMP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005586089 710633409 /nfs/dbraw/zinc/63/34/09/710633409.db2.gz UPCAHUHRULHLJW-BFYDXBDKSA-N 2 1 325.497 1.674 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001034673975 710637532 /nfs/dbraw/zinc/63/75/32/710637532.db2.gz IIULNJLQKLUMJU-ULQDDVLXSA-N 2 1 334.464 1.984 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1 ZINC001034734669 710917346 /nfs/dbraw/zinc/91/73/46/710917346.db2.gz UYMIGIBQBMXKKI-YXWQFLTLSA-N 2 1 336.505 1.858 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034736581 710924128 /nfs/dbraw/zinc/92/41/28/710924128.db2.gz XFCQBYUWNKPFIF-DJIMGWMZSA-N 2 1 333.480 1.421 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC001032960640 710970631 /nfs/dbraw/zinc/97/06/31/710970631.db2.gz YCQQABQVWCLJLR-WMZOPIPTSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC001032960640 710970635 /nfs/dbraw/zinc/97/06/35/710970635.db2.gz YCQQABQVWCLJLR-WMZOPIPTSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC001032960640 710970637 /nfs/dbraw/zinc/97/06/37/710970637.db2.gz YCQQABQVWCLJLR-WMZOPIPTSA-N 2 1 349.450 1.831 20 0 EDADMP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001034775679 711049507 /nfs/dbraw/zinc/04/95/07/711049507.db2.gz FXUAEMCOYPMGLS-TUUVXOQKSA-N 2 1 349.479 1.798 20 0 EDADMP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC001034776072 711050922 /nfs/dbraw/zinc/05/09/22/711050922.db2.gz OZTFFNVDCLTHBX-TUUVXOQKSA-N 2 1 349.479 1.798 20 0 EDADMP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001034776072 711050926 /nfs/dbraw/zinc/05/09/26/711050926.db2.gz OZTFFNVDCLTHBX-TUUVXOQKSA-N 2 1 349.479 1.798 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3csnn3)CC2)C1 ZINC001034779434 711086084 /nfs/dbraw/zinc/08/60/84/711086084.db2.gz UXXYOLQTVDGZBL-MGPQQGTHSA-N 2 1 337.493 1.397 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3csnn3)CC2)C1 ZINC001034779434 711086087 /nfs/dbraw/zinc/08/60/87/711086087.db2.gz UXXYOLQTVDGZBL-MGPQQGTHSA-N 2 1 337.493 1.397 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001034795253 711113098 /nfs/dbraw/zinc/11/30/98/711113098.db2.gz YGBHVHKFOLSCJF-DZUCGIPZSA-N 2 1 334.464 1.776 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](NCc2nc(C)no2)CC1 ZINC001034796232 711116380 /nfs/dbraw/zinc/11/63/80/711116380.db2.gz GCEBUCCHXZEWMQ-JYJNAYRXSA-N 2 1 349.479 1.769 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nc(C)no2)CC1 ZINC001034796232 711116385 /nfs/dbraw/zinc/11/63/85/711116385.db2.gz GCEBUCCHXZEWMQ-JYJNAYRXSA-N 2 1 349.479 1.769 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001034792402 711119106 /nfs/dbraw/zinc/11/91/06/711119106.db2.gz IVKCJHAZJVZWRC-YYIAUSFCSA-N 2 1 345.491 1.815 20 0 EDADMP Cc1nc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC001034792370 711119617 /nfs/dbraw/zinc/11/96/17/711119617.db2.gz HMZDVVCHOCOEIB-FAAHXZRKSA-N 2 1 335.452 1.408 20 0 EDADMP Cc1nc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001034792370 711119621 /nfs/dbraw/zinc/11/96/21/711119621.db2.gz HMZDVVCHOCOEIB-FAAHXZRKSA-N 2 1 335.452 1.408 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034793374 711123911 /nfs/dbraw/zinc/12/39/11/711123911.db2.gz YNNPQTRAFYSGHK-FVQBIDKESA-N 2 1 334.464 1.706 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC001003976293 711175706 /nfs/dbraw/zinc/17/57/06/711175706.db2.gz PQHBIRFVCHNRJQ-RDJZCZTQSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]Cc3cccnc3)cc2)C1 ZINC001034830775 711236811 /nfs/dbraw/zinc/23/68/11/711236811.db2.gz DIMSFUPTRAIETC-IBGZPJMESA-N 2 1 338.455 1.939 20 0 EDADMP CCc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001034884304 711287377 /nfs/dbraw/zinc/28/73/77/711287377.db2.gz DNMXIBHNYUUJIR-HUUCEWRRSA-N 2 1 334.464 1.720 20 0 EDADMP Cc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)n1 ZINC001034956659 711427197 /nfs/dbraw/zinc/42/71/97/711427197.db2.gz DNUOIAWGEJUMAF-OAHLLOKOSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)oc1C ZINC001034959268 711433772 /nfs/dbraw/zinc/43/37/72/711433772.db2.gz VOCPUAMSMYRXMS-NVXWUHKLSA-N 2 1 334.464 1.712 20 0 EDADMP CCn1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001034959885 711435871 /nfs/dbraw/zinc/43/58/71/711435871.db2.gz HRNWIKYNRMYTQG-WBVHZDCISA-N 2 1 348.495 1.027 20 0 EDADMP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nn1C ZINC001034940284 711443373 /nfs/dbraw/zinc/44/33/73/711443373.db2.gz ZDMOHPOJXSFXOO-DJIMGWMZSA-N 2 1 333.480 1.149 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)o1 ZINC001034940428 711443916 /nfs/dbraw/zinc/44/39/16/711443916.db2.gz DGHISEARWSAFRQ-CVEARBPZSA-N 2 1 332.448 1.405 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(OC)n3)C2)[C@@H]1C(C)C ZINC000922395578 711469091 /nfs/dbraw/zinc/46/90/91/711469091.db2.gz UAQIZZKNJMXOLM-CBZIJGRNSA-N 2 1 334.464 1.445 20 0 EDADMP C[C@H]1[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000922411445 711486626 /nfs/dbraw/zinc/48/66/26/711486626.db2.gz AGLVYFNSMKHAMT-LJIGWXMPSA-N 2 1 348.495 1.195 20 0 EDADMP C[C@H]1[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC[NH+]1C ZINC000922411445 711486628 /nfs/dbraw/zinc/48/66/28/711486628.db2.gz AGLVYFNSMKHAMT-LJIGWXMPSA-N 2 1 348.495 1.195 20 0 EDADMP C[C@H]1[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC[NH+]1C ZINC000922411445 711486630 /nfs/dbraw/zinc/48/66/30/711486630.db2.gz AGLVYFNSMKHAMT-LJIGWXMPSA-N 2 1 348.495 1.195 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)sc1C ZINC001004145779 711555533 /nfs/dbraw/zinc/55/55/33/711555533.db2.gz UDPONFWCLXABNU-CQSZACIVSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)sc1C ZINC001004145779 711555534 /nfs/dbraw/zinc/55/55/34/711555534.db2.gz UDPONFWCLXABNU-CQSZACIVSA-N 2 1 336.505 1.792 20 0 EDADMP Cc1cc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000922527552 711656584 /nfs/dbraw/zinc/65/65/84/711656584.db2.gz FEYMRAKGTHULAG-ZBFHGGJFSA-N 2 1 331.464 1.882 20 0 EDADMP Cc1cc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000922527552 711656586 /nfs/dbraw/zinc/65/65/86/711656586.db2.gz FEYMRAKGTHULAG-ZBFHGGJFSA-N 2 1 331.464 1.882 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@@H]2CCC[N@H+]2C[C@H](C)O)CC1 ZINC001004485315 711864659 /nfs/dbraw/zinc/86/46/59/711864659.db2.gz PSLVLJHDTVGJHJ-RDJZCZTQSA-N 2 1 334.464 1.275 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2C[C@H](C)O)CC1 ZINC001004485315 711864663 /nfs/dbraw/zinc/86/46/63/711864663.db2.gz PSLVLJHDTVGJHJ-RDJZCZTQSA-N 2 1 334.464 1.275 20 0 EDADMP CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001004490756 711869854 /nfs/dbraw/zinc/86/98/54/711869854.db2.gz TXUMFDKPQHHEAM-TXQOSWKISA-N 2 1 347.503 1.573 20 0 EDADMP CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001004490756 711869856 /nfs/dbraw/zinc/86/98/56/711869856.db2.gz TXUMFDKPQHHEAM-TXQOSWKISA-N 2 1 347.503 1.573 20 0 EDADMP CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001004490756 711869858 /nfs/dbraw/zinc/86/98/58/711869858.db2.gz TXUMFDKPQHHEAM-TXQOSWKISA-N 2 1 347.503 1.573 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033126423 711889599 /nfs/dbraw/zinc/88/95/99/711889599.db2.gz NBFIZOMGWHWGCY-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033126423 711889600 /nfs/dbraw/zinc/88/96/00/711889600.db2.gz NBFIZOMGWHWGCY-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1)[NH+](C)C ZINC001004538376 711944064 /nfs/dbraw/zinc/94/40/64/711944064.db2.gz CUCJIYTYASORBB-ZWKOTPCHSA-N 2 1 339.524 1.658 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033144633 711967756 /nfs/dbraw/zinc/96/77/56/711967756.db2.gz ZVWVGGJQERGRTB-AEFFLSMTSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033144633 711967759 /nfs/dbraw/zinc/96/77/59/711967759.db2.gz ZVWVGGJQERGRTB-AEFFLSMTSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144633 711967761 /nfs/dbraw/zinc/96/77/61/711967761.db2.gz ZVWVGGJQERGRTB-AEFFLSMTSA-N 2 1 348.491 1.994 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144633 711967762 /nfs/dbraw/zinc/96/77/62/711967762.db2.gz ZVWVGGJQERGRTB-AEFFLSMTSA-N 2 1 348.491 1.994 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004574858 712001375 /nfs/dbraw/zinc/00/13/75/712001375.db2.gz FTMXMPXITMCGKC-LJQANCHMSA-N 2 1 349.519 1.822 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004574858 712001377 /nfs/dbraw/zinc/00/13/77/712001377.db2.gz FTMXMPXITMCGKC-LJQANCHMSA-N 2 1 349.519 1.822 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([C@H]3CCC[NH+]3CCCO)CC2)C1 ZINC001004597578 712040194 /nfs/dbraw/zinc/04/01/94/712040194.db2.gz SGROAUSAVIDMKP-FUHWJXTLSA-N 2 1 337.508 1.414 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2CCC([C@H]3CCC[N@@H+]3CCCO)CC2)C1 ZINC001004597578 712040195 /nfs/dbraw/zinc/04/01/95/712040195.db2.gz SGROAUSAVIDMKP-FUHWJXTLSA-N 2 1 337.508 1.414 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2CCC([C@H]3CCC[N@H+]3CCCO)CC2)C1 ZINC001004597578 712040197 /nfs/dbraw/zinc/04/01/97/712040197.db2.gz SGROAUSAVIDMKP-FUHWJXTLSA-N 2 1 337.508 1.414 20 0 EDADMP C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004599118 712043187 /nfs/dbraw/zinc/04/31/87/712043187.db2.gz CJNABMKVCTYMBY-NVXWUHKLSA-N 2 1 335.492 1.166 20 0 EDADMP CCOCC[N@H+]1CCN(Cc2nc(C(C)(C)[NH3+])no2)C[C@@H]1CC ZINC000431094940 305075044 /nfs/dbraw/zinc/07/50/44/305075044.db2.gz CYDMHXZIUHOOKO-ZDUSSCGKSA-N 2 1 325.457 1.196 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000342140595 282212957 /nfs/dbraw/zinc/21/29/57/282212957.db2.gz WFJBPFDYKBUKCH-COXVUDFISA-N 2 1 331.464 1.848 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000342140595 282212958 /nfs/dbraw/zinc/21/29/58/282212958.db2.gz WFJBPFDYKBUKCH-COXVUDFISA-N 2 1 331.464 1.848 20 0 EDADMP CCC(CC)[C@@H](C(=O)NCCC[N@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000359079122 282222894 /nfs/dbraw/zinc/22/28/94/282222894.db2.gz WZRXLTBFNYMUPN-KRWDZBQOSA-N 2 1 327.513 1.970 20 0 EDADMP CCC(CC)[C@@H](C(=O)NCCC[N@@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000359079122 282222896 /nfs/dbraw/zinc/22/28/96/282222896.db2.gz WZRXLTBFNYMUPN-KRWDZBQOSA-N 2 1 327.513 1.970 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346852702 282272013 /nfs/dbraw/zinc/27/20/13/282272013.db2.gz XEKCDQRODQFMTN-XIRDDKMYSA-N 2 1 333.480 1.124 20 0 EDADMP CCC(CC)[C@H](CNC(=O)C1(OC)CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000164343758 282274529 /nfs/dbraw/zinc/27/45/29/282274529.db2.gz IEEPWGGXJHSQHL-INIZCTEOSA-N 2 1 341.496 1.008 20 0 EDADMP Cn1nccc1[C@H]1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC(=O)N1C1CC1 ZINC000328992774 539383085 /nfs/dbraw/zinc/38/30/85/539383085.db2.gz DORQGMMEZWDCLC-GKDNMFGBSA-N 2 1 343.475 1.441 20 0 EDADMP Cn1nccc1[C@H]1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC(=O)N1C1CC1 ZINC000328992774 539383088 /nfs/dbraw/zinc/38/30/88/539383088.db2.gz DORQGMMEZWDCLC-GKDNMFGBSA-N 2 1 343.475 1.441 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000132144783 530035916 /nfs/dbraw/zinc/03/59/16/530035916.db2.gz DIWDUXVLEARJTR-CYBMUJFWSA-N 2 1 327.494 1.833 20 0 EDADMP CCNC(=O)CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000066534169 215051188 /nfs/dbraw/zinc/05/11/88/215051188.db2.gz FGBLKNHPAOLWJF-UHFFFAOYSA-N 2 1 332.492 1.262 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000561199943 306284374 /nfs/dbraw/zinc/28/43/74/306284374.db2.gz VMWUISQHKTWKGA-MSOLQXFVSA-N 2 1 346.475 1.268 20 0 EDADMP C[N@H+]1CCCC12CCN(C(=O)c1cc(CN3CCCC3)on1)CC2 ZINC000562280342 306294211 /nfs/dbraw/zinc/29/42/11/306294211.db2.gz BVNAZZSJKRDTKZ-UHFFFAOYSA-N 2 1 332.448 1.971 20 0 EDADMP C[N@@H+]1CCCC12CCN(C(=O)c1cc(C[NH+]3CCCC3)on1)CC2 ZINC000562280342 306294212 /nfs/dbraw/zinc/29/42/12/306294212.db2.gz BVNAZZSJKRDTKZ-UHFFFAOYSA-N 2 1 332.448 1.971 20 0 EDADMP C[N@H+]1CCCC12CCN(C(=O)c1cc(C[NH+]3CCCC3)on1)CC2 ZINC000562280342 306294213 /nfs/dbraw/zinc/29/42/13/306294213.db2.gz BVNAZZSJKRDTKZ-UHFFFAOYSA-N 2 1 332.448 1.971 20 0 EDADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353538002 295833147 /nfs/dbraw/zinc/83/31/47/295833147.db2.gz ROLUNWHOPWIPQB-AWEZNQCLSA-N 2 1 341.496 1.639 20 0 EDADMP [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)sc2C1 ZINC000562809554 306310123 /nfs/dbraw/zinc/31/01/23/306310123.db2.gz ANQCFGHVGVDYFP-GXTWGEPZSA-N 2 1 328.441 1.612 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000377536845 291049615 /nfs/dbraw/zinc/04/96/15/291049615.db2.gz XNQUNQFPUJJNCL-UIBIWLFHSA-N 2 1 345.443 1.028 20 0 EDADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000187035065 540153210 /nfs/dbraw/zinc/15/32/10/540153210.db2.gz ATVMIJNCRRWEIO-BRWVUGGUSA-N 2 1 340.512 1.374 20 0 EDADMP CCC[N@H+](CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)C1CC[NH2+]CC1 ZINC000319857618 283104444 /nfs/dbraw/zinc/10/44/44/283104444.db2.gz OINGDWXLEFICOX-CZUORRHYSA-N 2 1 327.469 1.154 20 0 EDADMP CCC[N@@H+](CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)C1CC[NH2+]CC1 ZINC000319857618 283104449 /nfs/dbraw/zinc/10/44/49/283104449.db2.gz OINGDWXLEFICOX-CZUORRHYSA-N 2 1 327.469 1.154 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000352033558 283168005 /nfs/dbraw/zinc/16/80/05/283168005.db2.gz USOIPDLCDNPSNE-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000352033558 283168006 /nfs/dbraw/zinc/16/80/06/283168006.db2.gz USOIPDLCDNPSNE-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000352033558 283168007 /nfs/dbraw/zinc/16/80/07/283168007.db2.gz USOIPDLCDNPSNE-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP C[C@@H](c1cccc(Br)c1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030925 213194399 /nfs/dbraw/zinc/19/43/99/213194399.db2.gz ATKFBWLBXMMCDU-LBPRGKRZSA-N 2 1 340.265 1.874 20 0 EDADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030925 213194401 /nfs/dbraw/zinc/19/44/01/213194401.db2.gz ATKFBWLBXMMCDU-LBPRGKRZSA-N 2 1 340.265 1.874 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000174642921 283172160 /nfs/dbraw/zinc/17/21/60/283172160.db2.gz XKRBISBCMXBONI-IBGZPJMESA-N 2 1 346.519 1.823 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000174642921 283172165 /nfs/dbraw/zinc/17/21/65/283172165.db2.gz XKRBISBCMXBONI-IBGZPJMESA-N 2 1 346.519 1.823 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000074011133 138222622 /nfs/dbraw/zinc/22/26/22/138222622.db2.gz WDSSWHUKSDVJHT-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP CO[C@]1(C)C[C@H]([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000093871817 138294724 /nfs/dbraw/zinc/29/47/24/138294724.db2.gz ZTZNNTMPXMXVBU-QFBILLFUSA-N 2 1 347.507 1.864 20 0 EDADMP CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000093871817 138294725 /nfs/dbraw/zinc/29/47/25/138294725.db2.gz ZTZNNTMPXMXVBU-QFBILLFUSA-N 2 1 347.507 1.864 20 0 EDADMP CN(CCN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000131224153 138354665 /nfs/dbraw/zinc/35/46/65/138354665.db2.gz SFUSIWGSOUCIGQ-GOSISDBHSA-N 2 1 330.476 1.537 20 0 EDADMP COCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187163803 236134433 /nfs/dbraw/zinc/13/44/33/236134433.db2.gz UAFDPVKKIHPGHG-UHFFFAOYSA-N 2 1 331.460 1.796 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564847266 306367027 /nfs/dbraw/zinc/36/70/27/306367027.db2.gz LCWZNTMSPWAXSY-HCXYKTFWSA-N 2 1 341.540 1.701 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564847266 306367028 /nfs/dbraw/zinc/36/70/28/306367028.db2.gz LCWZNTMSPWAXSY-HCXYKTFWSA-N 2 1 341.540 1.701 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564847266 306367029 /nfs/dbraw/zinc/36/70/29/306367029.db2.gz LCWZNTMSPWAXSY-HCXYKTFWSA-N 2 1 341.540 1.701 20 0 EDADMP CCCC[NH+]1CCCC[C@@H]1CNC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564847266 306367030 /nfs/dbraw/zinc/36/70/30/306367030.db2.gz LCWZNTMSPWAXSY-HCXYKTFWSA-N 2 1 341.540 1.701 20 0 EDADMP C[NH+](C)CC1(CNC(=O)NCCC[NH+]2CCOCC2)CCCC1 ZINC000184898161 138798716 /nfs/dbraw/zinc/79/87/16/138798716.db2.gz RVYQIMTXPXWHFO-UHFFFAOYSA-N 2 1 326.485 1.130 20 0 EDADMP COc1ccc(C[C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cn1 ZINC000414132889 304101536 /nfs/dbraw/zinc/10/15/36/304101536.db2.gz ZZIPWGAUCGAPCG-INIZCTEOSA-N 2 1 334.508 1.884 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000187904253 138829665 /nfs/dbraw/zinc/82/96/65/138829665.db2.gz WTPGOPOBCJFHKN-ZYSHUDEJSA-N 2 1 345.487 1.912 20 0 EDADMP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414702414 304129976 /nfs/dbraw/zinc/12/99/76/304129976.db2.gz WXUZLFIWKKPHQI-BZUAXINKSA-N 2 1 339.480 1.108 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000414710007 304131154 /nfs/dbraw/zinc/13/11/54/304131154.db2.gz RHCLGGMKRJNPAK-VKJFTORMSA-N 2 1 349.450 1.785 20 0 EDADMP O=C(COc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1)N1CCCC1 ZINC000414828773 304145777 /nfs/dbraw/zinc/14/57/77/304145777.db2.gz MTECXRYUUDHYCD-INIZCTEOSA-N 2 1 331.460 1.777 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NCC2CC[NH2+]CC2)C1 ZINC000415124134 304162082 /nfs/dbraw/zinc/16/20/82/304162082.db2.gz QKSJMGUTXHWAIV-KRWDZBQOSA-N 2 1 330.476 1.795 20 0 EDADMP Cc1nc2ccccn2c1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415136428 304163097 /nfs/dbraw/zinc/16/30/97/304163097.db2.gz HJJDGYSVQNQEEQ-WBVHZDCISA-N 2 1 326.444 1.843 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415156537 304167084 /nfs/dbraw/zinc/16/70/84/304167084.db2.gz ZUVVKKLJBBUJGX-IAGOWNOFSA-N 2 1 344.459 1.430 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236806547 139032094 /nfs/dbraw/zinc/03/20/94/139032094.db2.gz YGRRCAKLKFUOOW-SJLPKXTDSA-N 2 1 333.476 1.892 20 0 EDADMP CCC[C@H]([NH3+])C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000236823723 139032829 /nfs/dbraw/zinc/03/28/29/139032829.db2.gz HLWREPAPLUCNPF-SFHVURJKSA-N 2 1 332.492 1.390 20 0 EDADMP C[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000237126856 139041479 /nfs/dbraw/zinc/04/14/79/139041479.db2.gz ANXFRRLAMSWBNF-QGZVFWFLSA-N 2 1 333.501 1.987 20 0 EDADMP COCC[NH2+]CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000237171611 139042903 /nfs/dbraw/zinc/04/29/03/139042903.db2.gz XZBSTTBNWSMJEW-AYHJJNSGSA-N 2 1 331.460 1.534 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000237197866 139043810 /nfs/dbraw/zinc/04/38/10/139043810.db2.gz AWUQZIGHTGRBFF-JKSUJKDBSA-N 2 1 344.459 1.069 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237665420 139057488 /nfs/dbraw/zinc/05/74/88/139057488.db2.gz MVDBUYIEIBTSCH-IYBDPMFKSA-N 2 1 325.497 1.772 20 0 EDADMP CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000111660843 220177825 /nfs/dbraw/zinc/17/78/25/220177825.db2.gz CGIOHSUCUPAGQH-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCO[C@H](C)C1 ZINC000245403393 139072231 /nfs/dbraw/zinc/07/22/31/139072231.db2.gz LMXZYBFBXYOQSS-ZHALLVOQSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCO[C@H](C)C1 ZINC000245403393 139072232 /nfs/dbraw/zinc/07/22/32/139072232.db2.gz LMXZYBFBXYOQSS-ZHALLVOQSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCO[C@H](C)C1 ZINC000245403393 139072233 /nfs/dbraw/zinc/07/22/33/139072233.db2.gz LMXZYBFBXYOQSS-ZHALLVOQSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCO[C@H](C)C1 ZINC000245403393 139072234 /nfs/dbraw/zinc/07/22/34/139072234.db2.gz LMXZYBFBXYOQSS-ZHALLVOQSA-N 2 1 345.487 1.876 20 0 EDADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415258255 304180212 /nfs/dbraw/zinc/18/02/12/304180212.db2.gz KTJCIJCBTHSBSM-CJNGLKHVSA-N 2 1 332.448 1.588 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415258255 304180213 /nfs/dbraw/zinc/18/02/13/304180213.db2.gz KTJCIJCBTHSBSM-CJNGLKHVSA-N 2 1 332.448 1.588 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@H]3CC[NH+](C)C3)cc2)C[C@H](C)O1 ZINC000245826309 139086919 /nfs/dbraw/zinc/08/69/19/139086919.db2.gz YYUPYASZQNWDJF-SOLBZPMBSA-N 2 1 345.487 1.977 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@H]3CC[NH+](C)C3)cc2)C[C@H](C)O1 ZINC000245826309 139086920 /nfs/dbraw/zinc/08/69/20/139086920.db2.gz YYUPYASZQNWDJF-SOLBZPMBSA-N 2 1 345.487 1.977 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cc2)C[C@H](C)O1 ZINC000245826309 139086921 /nfs/dbraw/zinc/08/69/21/139086921.db2.gz YYUPYASZQNWDJF-SOLBZPMBSA-N 2 1 345.487 1.977 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)cc2)C[C@H](C)O1 ZINC000245826309 139086922 /nfs/dbraw/zinc/08/69/22/139086922.db2.gz YYUPYASZQNWDJF-SOLBZPMBSA-N 2 1 345.487 1.977 20 0 EDADMP C[C@@H](CNC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)[NH+](C)C1CC1 ZINC000246335966 139104548 /nfs/dbraw/zinc/10/45/48/139104548.db2.gz BKMUPNMXXFRFGF-LSDHHAIUSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H](CNC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1)[N@H+](C)C1CC1 ZINC000246335966 139104549 /nfs/dbraw/zinc/10/45/49/139104549.db2.gz BKMUPNMXXFRFGF-LSDHHAIUSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H](CNC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1)[N@@H+](C)C1CC1 ZINC000246335966 139104550 /nfs/dbraw/zinc/10/45/50/139104550.db2.gz BKMUPNMXXFRFGF-LSDHHAIUSA-N 2 1 338.496 1.364 20 0 EDADMP CCOC[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@@H](COCC)C3)COC2)C1 ZINC000248418505 139162932 /nfs/dbraw/zinc/16/29/32/139162932.db2.gz KJKHTWFPJCJBKE-QZTJIDSGSA-N 2 1 340.508 1.720 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)CC2)cs1 ZINC000248699886 139172264 /nfs/dbraw/zinc/17/22/64/139172264.db2.gz ZKLPVZHNPBFZSD-BHYGNILZSA-N 2 1 348.516 1.859 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](C[C@H](C)O)CC1)CC(C)C ZINC000350244934 284768428 /nfs/dbraw/zinc/76/84/28/284768428.db2.gz HPOLTTBZOKIAKH-DLBZAZTESA-N 2 1 342.528 1.451 20 0 EDADMP CC(C)n1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000261642091 139213831 /nfs/dbraw/zinc/21/38/31/139213831.db2.gz IOYOATRRWHVLSD-WBVHZDCISA-N 2 1 333.480 1.544 20 0 EDADMP O=S(=O)(NC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)c1cccs1 ZINC000261658799 139215081 /nfs/dbraw/zinc/21/50/81/139215081.db2.gz BLZIWEFBRAUASW-ZDUSSCGKSA-N 2 1 343.518 1.490 20 0 EDADMP CC(C)n1nccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261787891 139225988 /nfs/dbraw/zinc/22/59/88/139225988.db2.gz FZYJCJAYHHCYGP-RDJZCZTQSA-N 2 1 333.480 1.544 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261877959 139233392 /nfs/dbraw/zinc/23/33/92/139233392.db2.gz TWHPSEWCKZFNNS-KBAYOESNSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261877959 139233393 /nfs/dbraw/zinc/23/33/93/139233393.db2.gz TWHPSEWCKZFNNS-KBAYOESNSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000261920232 139237090 /nfs/dbraw/zinc/23/70/90/139237090.db2.gz YNRPYFHNQZPYIW-KDOFPFPSSA-N 2 1 347.459 1.772 20 0 EDADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261941130 139238856 /nfs/dbraw/zinc/23/88/56/139238856.db2.gz MXIZMADAMMPCDB-KZNAEPCWSA-N 2 1 331.460 1.335 20 0 EDADMP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261978086 139241451 /nfs/dbraw/zinc/24/14/51/139241451.db2.gz NWFJVLPBEOPSHG-GUYCJALGSA-N 2 1 343.406 1.412 20 0 EDADMP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000261997663 139242765 /nfs/dbraw/zinc/24/27/65/139242765.db2.gz OLTSYVYYLSTOAD-AWEZNQCLSA-N 2 1 344.459 1.682 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(OC(F)F)c1 ZINC000262123248 139252894 /nfs/dbraw/zinc/25/28/94/139252894.db2.gz MKQSMQSBFBMUMA-AWEZNQCLSA-N 2 1 341.402 1.776 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(OC(F)F)c1 ZINC000262123248 139252895 /nfs/dbraw/zinc/25/28/95/139252895.db2.gz MKQSMQSBFBMUMA-AWEZNQCLSA-N 2 1 341.402 1.776 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2cccc(C[NH2+]C)c2)CC[N@H+]1C[C@@H](C)O ZINC000415941075 251036304 /nfs/dbraw/zinc/03/63/04/251036304.db2.gz GFOBZRZDFYXNNZ-RHSMWYFYSA-N 2 1 334.464 1.715 20 0 EDADMP Cc1cccc(OCC[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000262210598 139260362 /nfs/dbraw/zinc/26/03/62/139260362.db2.gz LOQRMDCREOLGRG-PKOBYXMFSA-N 2 1 345.487 1.954 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000415949608 251039185 /nfs/dbraw/zinc/03/91/85/251039185.db2.gz ZURMIMUWUZSZQT-UHFFFAOYSA-N 2 1 347.507 1.944 20 0 EDADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)C12CCCCC2 ZINC000262221193 139261229 /nfs/dbraw/zinc/26/12/29/139261229.db2.gz UOCPWMRRPCEXMX-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000416996845 251123440 /nfs/dbraw/zinc/12/34/40/251123440.db2.gz VHPMARWBLVHIDV-SFHVURJKSA-N 2 1 347.507 1.361 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262325744 139270487 /nfs/dbraw/zinc/27/04/87/139270487.db2.gz DLQDPECTABCMQI-QXGSTGNESA-N 2 1 345.487 1.504 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[NH2+]C[C@](C)(F)C1)c1ccc(F)cc1 ZINC000417171475 251145283 /nfs/dbraw/zinc/14/52/83/251145283.db2.gz JRUMRCZXESIIPJ-RDJZCZTQSA-N 2 1 340.418 1.771 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000417268529 251152527 /nfs/dbraw/zinc/15/25/27/251152527.db2.gz JWDRSMWUPIMGOS-CVEARBPZSA-N 2 1 348.491 1.834 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000417268529 251152531 /nfs/dbraw/zinc/15/25/31/251152531.db2.gz JWDRSMWUPIMGOS-CVEARBPZSA-N 2 1 348.491 1.834 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC000417518867 251182204 /nfs/dbraw/zinc/18/22/04/251182204.db2.gz TXXUXIWQKCQZBD-NJAFHUGGSA-N 2 1 348.491 1.685 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)NCCC[NH3+])CC2)cs1 ZINC000417600949 251203373 /nfs/dbraw/zinc/20/33/73/251203373.db2.gz RGUXGWZCMFSGOE-UHFFFAOYSA-N 2 1 339.509 1.566 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000417667352 251220422 /nfs/dbraw/zinc/22/04/22/251220422.db2.gz GJQGSEMAULDFSE-ARFHVFGLSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000262394226 139276006 /nfs/dbraw/zinc/27/60/06/139276006.db2.gz YDMFZDBDVZQDMF-HNNXBMFYSA-N 2 1 331.460 1.305 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000417714481 251239572 /nfs/dbraw/zinc/23/95/72/251239572.db2.gz HOWBQDDNNRTJNL-QAPCUYQASA-N 2 1 348.491 1.516 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)[nH+]c1 ZINC000417732835 251246836 /nfs/dbraw/zinc/24/68/36/251246836.db2.gz PLAXTQQBCBOLOH-GOEBONIOSA-N 2 1 331.464 1.799 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000417751093 251254627 /nfs/dbraw/zinc/25/46/27/251254627.db2.gz LBFXOAZZESKFHB-HZPDHXFCSA-N 2 1 327.517 1.077 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418078427 251320940 /nfs/dbraw/zinc/32/09/40/251320940.db2.gz VVMVWRGSSCEZMS-RDJZCZTQSA-N 2 1 334.464 1.314 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC2([NH3+])CCCCC2)CCCO1 ZINC000418112215 251326519 /nfs/dbraw/zinc/32/65/19/251326519.db2.gz IADUGTFBVKZCPC-OAHLLOKOSA-N 2 1 326.485 1.448 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418111283 251326867 /nfs/dbraw/zinc/32/68/67/251326867.db2.gz GRLPPHNJZPWCMR-RDJZCZTQSA-N 2 1 340.512 1.694 20 0 EDADMP C[C@H]1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1C[NH3+] ZINC000418112128 251327013 /nfs/dbraw/zinc/32/70/13/251327013.db2.gz HUYJUCGYOMSUBH-XHSDSOJGSA-N 2 1 326.485 1.114 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CCCO1 ZINC000418122822 251334812 /nfs/dbraw/zinc/33/48/12/251334812.db2.gz YITFDDUZAPPRFK-WBVHZDCISA-N 2 1 326.485 1.176 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418437182 251370108 /nfs/dbraw/zinc/37/01/08/251370108.db2.gz CQEVTLASJHLGGQ-MJGOQNOKSA-N 2 1 348.491 1.440 20 0 EDADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000418321805 251360015 /nfs/dbraw/zinc/36/00/15/251360015.db2.gz CSDWNCAOZLAZRD-FUHWJXTLSA-N 2 1 334.464 1.176 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418715056 251392962 /nfs/dbraw/zinc/39/29/62/251392962.db2.gz ZDHJMSBBZQXQMK-RLFYNMQTSA-N 2 1 334.464 1.001 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418727541 251399728 /nfs/dbraw/zinc/39/97/28/251399728.db2.gz MJODCJVMUGJYMD-SJLPKXTDSA-N 2 1 334.464 1.002 20 0 EDADMP CCc1ccc([C@@H](CNC(=O)[C@H]([NH2+]C)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000262572220 139287533 /nfs/dbraw/zinc/28/75/33/139287533.db2.gz SNSMASIOBQJPFO-QZTJIDSGSA-N 2 1 343.475 1.662 20 0 EDADMP C[C@]1(CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000418532110 251378019 /nfs/dbraw/zinc/37/80/19/251378019.db2.gz BVTRBFDQBZNBHJ-FQEVSTJZSA-N 2 1 344.503 1.946 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000418688289 251386921 /nfs/dbraw/zinc/38/69/21/251386921.db2.gz MYBWHLOHOYYUAI-BPQIPLTHSA-N 2 1 348.491 1.296 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000262638355 139292133 /nfs/dbraw/zinc/29/21/33/139292133.db2.gz IJZNITOUZTZTKV-GDBMZVCRSA-N 2 1 330.432 1.074 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000262638355 139292134 /nfs/dbraw/zinc/29/21/34/139292134.db2.gz IJZNITOUZTZTKV-GDBMZVCRSA-N 2 1 330.432 1.074 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)C1 ZINC000262653210 139293372 /nfs/dbraw/zinc/29/33/72/139293372.db2.gz SNNFXLOEGQXOBH-OAGGEKHMSA-N 2 1 344.459 1.450 20 0 EDADMP CCC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262707251 139297929 /nfs/dbraw/zinc/29/79/29/139297929.db2.gz NFZAEFJQWPAADV-DLBZAZTESA-N 2 1 346.475 1.128 20 0 EDADMP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000262799098 139304476 /nfs/dbraw/zinc/30/44/76/139304476.db2.gz DWAAUFQOHREABB-MAUKXSAKSA-N 2 1 330.476 1.304 20 0 EDADMP COC1CC[NH+](C(C)(C)CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422885028 252011358 /nfs/dbraw/zinc/01/13/58/252011358.db2.gz GHCMTUWUXPICBW-IAGOWNOFSA-N 2 1 325.497 1.232 20 0 EDADMP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422891249 252014008 /nfs/dbraw/zinc/01/40/08/252014008.db2.gz UXPUTQDUXCKNJR-QAPCUYQASA-N 3 1 332.492 1.601 20 0 EDADMP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000422856251 252002626 /nfs/dbraw/zinc/00/26/26/252002626.db2.gz FVBFXKYITBMUCL-MSOLQXFVSA-N 2 1 333.476 1.910 20 0 EDADMP COC(=O)c1coc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000423511324 252058544 /nfs/dbraw/zinc/05/85/44/252058544.db2.gz OQIIZCZXPKJVHF-JEYLPNPQSA-N 2 1 335.448 1.933 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000423863928 252095163 /nfs/dbraw/zinc/09/51/63/252095163.db2.gz AUIQIHWIXYRFPT-BPQIPLTHSA-N 2 1 331.460 1.298 20 0 EDADMP C[N@H+](CC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)Cc1ccccc1 ZINC000424004569 252112756 /nfs/dbraw/zinc/11/27/56/252112756.db2.gz BLYKSWRJOSFBKM-RBUKOAKNSA-N 2 1 345.487 1.863 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)Cc1ccccc1 ZINC000424004569 252112761 /nfs/dbraw/zinc/11/27/61/252112761.db2.gz BLYKSWRJOSFBKM-RBUKOAKNSA-N 2 1 345.487 1.863 20 0 EDADMP COC(=O)CC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000424308696 252194729 /nfs/dbraw/zinc/19/47/29/252194729.db2.gz HAAPQUGKSATHEW-JEVOJNTISA-N 2 1 346.471 1.801 20 0 EDADMP COC(=O)CC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000424308696 252194731 /nfs/dbraw/zinc/19/47/31/252194731.db2.gz HAAPQUGKSATHEW-JEVOJNTISA-N 2 1 346.471 1.801 20 0 EDADMP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)cnc12 ZINC000263126796 139323757 /nfs/dbraw/zinc/32/37/57/139323757.db2.gz BJCASHCQCOFKQF-ZWNOBZJWSA-N 2 1 339.237 1.075 20 0 EDADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263200637 139327936 /nfs/dbraw/zinc/32/79/36/139327936.db2.gz JAHDLIAZIJOPLK-MJGOQNOKSA-N 2 1 328.460 1.527 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000112436357 220326660 /nfs/dbraw/zinc/32/66/60/220326660.db2.gz OOCYKADFMHCBSF-MRXNPFEDSA-N 2 1 328.501 1.374 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000112436357 220326661 /nfs/dbraw/zinc/32/66/61/220326661.db2.gz OOCYKADFMHCBSF-MRXNPFEDSA-N 2 1 328.501 1.374 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000570280583 306535534 /nfs/dbraw/zinc/53/55/34/306535534.db2.gz DBVKAPLJOMQVGR-WMZOPIPTSA-N 2 1 346.475 1.131 20 0 EDADMP CS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471836608 255016111 /nfs/dbraw/zinc/01/61/11/255016111.db2.gz JEUGOODMNNBGFK-IAGOWNOFSA-N 2 1 339.505 1.208 20 0 EDADMP CS(=O)(=O)NCC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471836608 255016112 /nfs/dbraw/zinc/01/61/12/255016112.db2.gz JEUGOODMNNBGFK-IAGOWNOFSA-N 2 1 339.505 1.208 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)Cc1ccccc1 ZINC000487524652 255031647 /nfs/dbraw/zinc/03/16/47/255031647.db2.gz XXAIFOJDMSHPSE-QUCCMNQESA-N 2 1 344.503 1.897 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccccn1 ZINC000340079521 285251100 /nfs/dbraw/zinc/25/11/00/285251100.db2.gz HOGZRDYGOZVJHN-OAHLLOKOSA-N 2 1 340.493 1.118 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000492261221 255166055 /nfs/dbraw/zinc/16/60/55/255166055.db2.gz VJFARXOUKKYCSN-HZPDHXFCSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccccn1 ZINC000449826753 285279221 /nfs/dbraw/zinc/27/92/21/285279221.db2.gz SJCMNSFOUKNJEL-SJORKVTESA-N 2 1 348.491 1.723 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCn2ccnc21 ZINC000370020791 285280609 /nfs/dbraw/zinc/28/06/09/285280609.db2.gz RXIMYGGPQMWLMT-IRXDYDNUSA-N 2 1 347.507 1.635 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[NH+]1CCCCC1 ZINC000155085290 224355114 /nfs/dbraw/zinc/35/51/14/224355114.db2.gz XAVJYTAJBXUAQX-IBGZPJMESA-N 2 1 345.487 1.880 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000264281775 139393200 /nfs/dbraw/zinc/39/32/00/139393200.db2.gz HKZXFBQJWDTYRF-CQSZACIVSA-N 2 1 337.439 1.789 20 0 EDADMP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415886405 304284567 /nfs/dbraw/zinc/28/45/67/304284567.db2.gz UVFIJFMMJCNDKV-GOSISDBHSA-N 2 1 346.475 1.691 20 0 EDADMP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000271159522 140248549 /nfs/dbraw/zinc/24/85/49/140248549.db2.gz WAXYAOZWQILZMW-DLBZAZTESA-N 2 1 345.487 1.518 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000272017568 140388211 /nfs/dbraw/zinc/38/82/11/140388211.db2.gz VCCJDPIOLRRORF-SJLPKXTDSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000272017568 140388213 /nfs/dbraw/zinc/38/82/13/140388213.db2.gz VCCJDPIOLRRORF-SJLPKXTDSA-N 2 1 331.460 1.345 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CCCOCC2)cc[nH+]1 ZINC000329984992 140791013 /nfs/dbraw/zinc/79/10/13/140791013.db2.gz CTUPPXLPRVCSHK-KKUMJFAQSA-N 2 1 337.443 1.618 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc(N2CCCC2)[nH+]1 ZINC000332173081 141134903 /nfs/dbraw/zinc/13/49/03/141134903.db2.gz QPUMAEOOGUIFIP-CZUORRHYSA-N 2 1 331.464 1.869 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)n1C ZINC000333324021 141299404 /nfs/dbraw/zinc/29/94/04/141299404.db2.gz XLVOGZNMDBUMBG-UHFFFAOYSA-N 2 1 334.468 1.160 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NC[C@@H]3CCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000333676918 141354960 /nfs/dbraw/zinc/35/49/60/141354960.db2.gz ZASIMLRPVQJPET-HNNXBMFYSA-N 2 1 332.452 1.113 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000333769364 141377612 /nfs/dbraw/zinc/37/76/12/141377612.db2.gz BUVQZQDKCKGRTE-SOLBZPMBSA-N 2 1 338.496 1.128 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000345325109 143078143 /nfs/dbraw/zinc/07/81/43/143078143.db2.gz AKZNDPWNTATSHZ-INIZCTEOSA-N 2 1 330.476 1.605 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000345325109 143078144 /nfs/dbraw/zinc/07/81/44/143078144.db2.gz AKZNDPWNTATSHZ-INIZCTEOSA-N 2 1 330.476 1.605 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000346219908 143180241 /nfs/dbraw/zinc/18/02/41/143180241.db2.gz NKVVQZPNDZUGTE-KRWDZBQOSA-N 2 1 341.459 1.730 20 0 EDADMP COc1c(O)cccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346676774 143230288 /nfs/dbraw/zinc/23/02/88/143230288.db2.gz KJQANIGPQIYNPE-HOCLYGCPSA-N 2 1 347.459 1.481 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1)[C@H]1CCC[NH2+]1 ZINC000346686814 143231877 /nfs/dbraw/zinc/23/18/77/143231877.db2.gz UPGIUZUJLYRDHM-GDBMZVCRSA-N 2 1 345.443 1.496 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000347034253 143274306 /nfs/dbraw/zinc/27/43/06/143274306.db2.gz CMQAEXSJBLSWTQ-BHIYHBOVSA-N 2 1 332.492 1.338 20 0 EDADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000347034253 143274307 /nfs/dbraw/zinc/27/43/07/143274307.db2.gz CMQAEXSJBLSWTQ-BHIYHBOVSA-N 2 1 332.492 1.338 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000347043101 143275632 /nfs/dbraw/zinc/27/56/32/143275632.db2.gz FAXCZJZTYYOFAY-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000347043101 143275633 /nfs/dbraw/zinc/27/56/33/143275633.db2.gz FAXCZJZTYYOFAY-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000347043101 143275634 /nfs/dbraw/zinc/27/56/34/143275634.db2.gz FAXCZJZTYYOFAY-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000347043732 143275718 /nfs/dbraw/zinc/27/57/18/143275718.db2.gz LTMXDLQRTOIRBI-LSDHHAIUSA-N 2 1 340.512 1.212 20 0 EDADMP CCC[C@H]1CN(C(=O)NCCn2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC000347065404 143278186 /nfs/dbraw/zinc/27/81/86/143278186.db2.gz IADNPOMOJANIDG-INIZCTEOSA-N 2 1 337.468 1.334 20 0 EDADMP CCC[C@H]1CN(C(=O)NCCn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000347065404 143278187 /nfs/dbraw/zinc/27/81/87/143278187.db2.gz IADNPOMOJANIDG-INIZCTEOSA-N 2 1 337.468 1.334 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000347148456 143287866 /nfs/dbraw/zinc/28/78/66/143287866.db2.gz BCFZNRBZXHNRJQ-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[N@@H+](C)C1 ZINC000347314419 143307239 /nfs/dbraw/zinc/30/72/39/143307239.db2.gz RCYZNEVNARIXJS-OAGGEKHMSA-N 2 1 342.528 1.713 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348077136 143398140 /nfs/dbraw/zinc/39/81/40/143398140.db2.gz FVWIFUCMWMRNRS-SJORKVTESA-N 2 1 346.454 1.916 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348077136 143398141 /nfs/dbraw/zinc/39/81/41/143398141.db2.gz FVWIFUCMWMRNRS-SJORKVTESA-N 2 1 346.454 1.916 20 0 EDADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)C[NH+]1CCOCC1 ZINC000573071654 306610265 /nfs/dbraw/zinc/61/02/65/306610265.db2.gz JQAQVNGAHOABQS-AWEZNQCLSA-N 2 1 332.448 1.422 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC000458412821 286058634 /nfs/dbraw/zinc/05/86/34/286058634.db2.gz OPBZJCQEQGJQQH-HZPDHXFCSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416856851 304351976 /nfs/dbraw/zinc/35/19/76/304351976.db2.gz ASFDWUSFOYFRQF-OAHLLOKOSA-N 2 1 334.464 1.445 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+](C)C ZINC000416857122 304352012 /nfs/dbraw/zinc/35/20/12/304352012.db2.gz XUTIYXHWPMIDIC-KBMXLJTQSA-N 2 1 334.464 1.677 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000416867486 304353114 /nfs/dbraw/zinc/35/31/14/304353114.db2.gz LIWQMJZGDGEOHH-XHSDSOJGSA-N 2 1 326.485 1.160 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](C)[C@@H](c4ccccc4)[C@H]3C2)C1 ZINC000369915693 155230802 /nfs/dbraw/zinc/23/08/02/155230802.db2.gz INESSEOVWDWUTR-VJANTYMQSA-N 2 1 343.471 1.468 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](C)[C@@H](c4ccccc4)[C@H]3C2)C1 ZINC000369915693 155230805 /nfs/dbraw/zinc/23/08/05/155230805.db2.gz INESSEOVWDWUTR-VJANTYMQSA-N 2 1 343.471 1.468 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@H]3C2)C1 ZINC000369915693 155230809 /nfs/dbraw/zinc/23/08/09/155230809.db2.gz INESSEOVWDWUTR-VJANTYMQSA-N 2 1 343.471 1.468 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@H]3C2)C1 ZINC000369915693 155230812 /nfs/dbraw/zinc/23/08/12/155230812.db2.gz INESSEOVWDWUTR-VJANTYMQSA-N 2 1 343.471 1.468 20 0 EDADMP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000353084731 149280252 /nfs/dbraw/zinc/28/02/52/149280252.db2.gz HBRDXRYDELVREP-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP CN(C)c1cc[nH+]cc1CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000353174712 149312920 /nfs/dbraw/zinc/31/29/20/149312920.db2.gz FGMDDWPBSBKQNV-FQEVSTJZSA-N 2 1 340.471 1.874 20 0 EDADMP CCN1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000369928332 155238792 /nfs/dbraw/zinc/23/87/92/155238792.db2.gz QDDAJTBPPMQEIL-YCPHGPKFSA-N 2 1 337.489 1.578 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000369928332 155238800 /nfs/dbraw/zinc/23/88/00/155238800.db2.gz QDDAJTBPPMQEIL-YCPHGPKFSA-N 2 1 337.489 1.578 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000369928332 155238802 /nfs/dbraw/zinc/23/88/02/155238802.db2.gz QDDAJTBPPMQEIL-YCPHGPKFSA-N 2 1 337.489 1.578 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000369928332 155238805 /nfs/dbraw/zinc/23/88/05/155238805.db2.gz QDDAJTBPPMQEIL-YCPHGPKFSA-N 2 1 337.489 1.578 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355267487 150191853 /nfs/dbraw/zinc/19/18/53/150191853.db2.gz DISGRMZXPKREQB-HOTGVXAUSA-N 2 1 340.512 1.214 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2C(C)(C)C)C1 ZINC000355346850 150226190 /nfs/dbraw/zinc/22/61/90/150226190.db2.gz UIRFGLCLUTWXCV-SJORKVTESA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H]2C(C)(C)C)C1 ZINC000355346850 150226193 /nfs/dbraw/zinc/22/61/93/150226193.db2.gz UIRFGLCLUTWXCV-SJORKVTESA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H]2C(C)(C)C)C1 ZINC000355346850 150226197 /nfs/dbraw/zinc/22/61/97/150226197.db2.gz UIRFGLCLUTWXCV-SJORKVTESA-N 2 1 339.524 1.970 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417030141 304362574 /nfs/dbraw/zinc/36/25/74/304362574.db2.gz AJRCCHDHEWJBAD-SJORKVTESA-N 2 1 347.507 1.624 20 0 EDADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@H](C)C[NH2+]1 ZINC000417038062 304364284 /nfs/dbraw/zinc/36/42/84/304364284.db2.gz UJOKFCUYJFSDHH-HZPDHXFCSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000417040334 304364826 /nfs/dbraw/zinc/36/48/26/304364826.db2.gz KOQOWFFBSVDTSA-IYBDPMFKSA-N 2 1 338.496 1.128 20 0 EDADMP CCCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000357580859 151074089 /nfs/dbraw/zinc/07/40/89/151074089.db2.gz UHZDEINNSOECKM-UHFFFAOYSA-N 2 1 327.494 1.758 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000357791155 151152876 /nfs/dbraw/zinc/15/28/76/151152876.db2.gz GGSAKHSPOCNYPT-IAGOWNOFSA-N 2 1 325.497 1.724 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000358008681 151232512 /nfs/dbraw/zinc/23/25/12/151232512.db2.gz WKSCQMXJYHSMNH-HZPDHXFCSA-N 2 1 328.501 1.374 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000358008681 151232514 /nfs/dbraw/zinc/23/25/14/151232514.db2.gz WKSCQMXJYHSMNH-HZPDHXFCSA-N 2 1 328.501 1.374 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000358125600 151280271 /nfs/dbraw/zinc/28/02/71/151280271.db2.gz AATOELIHFSAUSW-CVEARBPZSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000358125600 151280273 /nfs/dbraw/zinc/28/02/73/151280273.db2.gz AATOELIHFSAUSW-CVEARBPZSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000358125600 151280275 /nfs/dbraw/zinc/28/02/75/151280275.db2.gz AATOELIHFSAUSW-CVEARBPZSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000358230566 151312432 /nfs/dbraw/zinc/31/24/32/151312432.db2.gz YBLPFPADSSKSRR-BHIYHBOVSA-N 2 1 345.487 1.470 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)n1C ZINC000358237268 151315186 /nfs/dbraw/zinc/31/51/86/151315186.db2.gz PIAYIWAXSFWAHB-UHFFFAOYSA-N 2 1 336.484 1.407 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000358260690 151320200 /nfs/dbraw/zinc/32/02/00/151320200.db2.gz VPYUMNZJXFBLNY-IBGZPJMESA-N 2 1 335.467 1.489 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@@H]1C ZINC000358267873 151321455 /nfs/dbraw/zinc/32/14/55/151321455.db2.gz SGUJNLIDENQYRG-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000358288486 151328092 /nfs/dbraw/zinc/32/80/92/151328092.db2.gz FFXUHSFJADWDRG-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000358288486 151328094 /nfs/dbraw/zinc/32/80/94/151328094.db2.gz FFXUHSFJADWDRG-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000358288486 151328096 /nfs/dbraw/zinc/32/80/96/151328096.db2.gz FFXUHSFJADWDRG-IAGOWNOFSA-N 2 1 339.528 1.186 20 0 EDADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358501538 151397412 /nfs/dbraw/zinc/39/74/12/151397412.db2.gz AGUFFYDFCZHKNU-ZDUSSCGKSA-N 2 1 348.422 1.938 20 0 EDADMP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358506451 151398896 /nfs/dbraw/zinc/39/88/96/151398896.db2.gz KEKYHVABVHSZMX-UHFFFAOYSA-N 2 1 330.432 1.659 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000360782326 152202811 /nfs/dbraw/zinc/20/28/11/152202811.db2.gz CJRAVVWDUIIBRO-QGZVFWFLSA-N 2 1 341.544 1.386 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000360782326 152202815 /nfs/dbraw/zinc/20/28/15/152202815.db2.gz CJRAVVWDUIIBRO-QGZVFWFLSA-N 2 1 341.544 1.386 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000360782326 152202818 /nfs/dbraw/zinc/20/28/18/152202818.db2.gz CJRAVVWDUIIBRO-QGZVFWFLSA-N 2 1 341.544 1.386 20 0 EDADMP COc1ccc(F)cc1CNCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000360973889 152266926 /nfs/dbraw/zinc/26/69/26/152266926.db2.gz GIGFKWIUAVBZIV-INIZCTEOSA-N 2 1 337.439 1.867 20 0 EDADMP COc1ccc(F)cc1C[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000360973889 152266928 /nfs/dbraw/zinc/26/69/28/152266928.db2.gz GIGFKWIUAVBZIV-INIZCTEOSA-N 2 1 337.439 1.867 20 0 EDADMP COC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1)C(C)C ZINC000361240337 152342735 /nfs/dbraw/zinc/34/27/35/152342735.db2.gz IWYUUUNTLDMWTQ-KRWDZBQOSA-N 2 1 337.512 1.631 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000361250398 152345343 /nfs/dbraw/zinc/34/53/43/152345343.db2.gz JBNVDWWJKYZORV-OCCSQVGLSA-N 2 1 331.420 1.737 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000361351277 152368594 /nfs/dbraw/zinc/36/85/94/152368594.db2.gz KWWMOKLQTGDKRM-FQEVSTJZSA-N 2 1 346.519 1.873 20 0 EDADMP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417182522 304381360 /nfs/dbraw/zinc/38/13/60/304381360.db2.gz PGIXKIGASHDTNR-RHSMWYFYSA-N 2 1 332.448 1.150 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417184419 304381884 /nfs/dbraw/zinc/38/18/84/304381884.db2.gz UTANIVSDTUDRQZ-LBPRGKRZSA-N 2 1 340.418 1.966 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[NH+](CC(C)(C)O)CC2)C1 ZINC000363731178 153041459 /nfs/dbraw/zinc/04/14/59/153041459.db2.gz CYVSEIOSIATXCX-CVEARBPZSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)C1 ZINC000363731178 153041461 /nfs/dbraw/zinc/04/14/61/153041461.db2.gz CYVSEIOSIATXCX-CVEARBPZSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)C1 ZINC000363731178 153041463 /nfs/dbraw/zinc/04/14/63/153041463.db2.gz CYVSEIOSIATXCX-CVEARBPZSA-N 2 1 340.512 1.203 20 0 EDADMP O=C(NCC[C@H]1CC[NH2+]C1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417185578 304382139 /nfs/dbraw/zinc/38/21/39/304382139.db2.gz RPWKMERUTRYGCW-MRXNPFEDSA-N 2 1 346.475 1.318 20 0 EDADMP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000574218083 306644741 /nfs/dbraw/zinc/64/47/41/306644741.db2.gz XKHIQIDHXJVTST-OAHLLOKOSA-N 2 1 349.504 1.276 20 0 EDADMP CC1CCN(C(=O)C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000364350006 153212391 /nfs/dbraw/zinc/21/23/91/153212391.db2.gz ZYJGQKGGCWDIHT-KZNAEPCWSA-N 2 1 337.508 1.724 20 0 EDADMP CC1CCN(C(=O)C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000364350006 153212394 /nfs/dbraw/zinc/21/23/94/153212394.db2.gz ZYJGQKGGCWDIHT-KZNAEPCWSA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cn2)CC1 ZINC000364407860 153228836 /nfs/dbraw/zinc/22/88/36/153228836.db2.gz WUGCQXYYTWVZON-BBWFWOEESA-N 2 1 345.491 1.522 20 0 EDADMP O[C@H]1C[NH+](Cc2ccccc2C[N@@H+]2C[C@H](O)C3(CC3)C2)CC12CC2 ZINC000364441408 153238765 /nfs/dbraw/zinc/23/87/65/153238765.db2.gz DXZQISCSQYHKIH-ROUUACIJSA-N 2 1 328.456 1.600 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000364531646 153260172 /nfs/dbraw/zinc/26/01/72/153260172.db2.gz QEUGPIPGNOGKSC-AWEZNQCLSA-N 2 1 336.480 1.723 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC1CC(OCc2ccccc2)C1 ZINC000364714212 153311583 /nfs/dbraw/zinc/31/15/83/153311583.db2.gz WOTCTNGOSYZLJU-UHFFFAOYSA-N 2 1 346.475 1.570 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000367359543 154088609 /nfs/dbraw/zinc/08/86/09/154088609.db2.gz ZCXBQZYHUSYZCM-UHFFFAOYSA-N 2 1 337.468 1.295 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000367359543 154088611 /nfs/dbraw/zinc/08/86/11/154088611.db2.gz ZCXBQZYHUSYZCM-UHFFFAOYSA-N 2 1 337.468 1.295 20 0 EDADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000367475396 154140743 /nfs/dbraw/zinc/14/07/43/154140743.db2.gz WPFRURDCZYTFKJ-BRWVUGGUSA-N 2 1 345.491 1.474 20 0 EDADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000367475396 154140745 /nfs/dbraw/zinc/14/07/45/154140745.db2.gz WPFRURDCZYTFKJ-BRWVUGGUSA-N 2 1 345.491 1.474 20 0 EDADMP COC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000367548789 154171493 /nfs/dbraw/zinc/17/14/93/154171493.db2.gz FXQMXKAUZQTEPT-QEJZJMRPSA-N 2 1 325.840 1.423 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H](C)O1 ZINC000368058569 154389550 /nfs/dbraw/zinc/38/95/50/154389550.db2.gz ADAXWAVSSPASLT-RKVPGOIHSA-N 2 1 343.487 1.814 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000369447704 155039388 /nfs/dbraw/zinc/03/93/88/155039388.db2.gz KZZATYYADDUJIZ-PMPSAXMXSA-N 2 1 340.512 1.515 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369530776 155074057 /nfs/dbraw/zinc/07/40/57/155074057.db2.gz JDIFVUYLIVHTIC-UHFFFAOYSA-N 2 1 349.479 1.478 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000369530776 155074059 /nfs/dbraw/zinc/07/40/59/155074059.db2.gz JDIFVUYLIVHTIC-UHFFFAOYSA-N 2 1 349.479 1.478 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000369561893 155087590 /nfs/dbraw/zinc/08/75/90/155087590.db2.gz QCBLATYAFJEEBK-USXIJHARSA-N 2 1 331.464 1.506 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000417447062 304396727 /nfs/dbraw/zinc/39/67/27/304396727.db2.gz OEYZYIBFJHGJAC-KRWDZBQOSA-N 2 1 336.480 1.687 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000371607203 156027546 /nfs/dbraw/zinc/02/75/46/156027546.db2.gz ZUGFXOAWMLZRTA-NPYXIHBLSA-N 2 1 338.496 1.269 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000371607203 156027548 /nfs/dbraw/zinc/02/75/48/156027548.db2.gz ZUGFXOAWMLZRTA-NPYXIHBLSA-N 2 1 338.496 1.269 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000371607203 156027550 /nfs/dbraw/zinc/02/75/50/156027550.db2.gz ZUGFXOAWMLZRTA-NPYXIHBLSA-N 2 1 338.496 1.269 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)ccn1 ZINC000374743857 157384347 /nfs/dbraw/zinc/38/43/47/157384347.db2.gz PAWJUCHALFJLPM-INIZCTEOSA-N 2 1 346.475 1.769 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000377969202 158043491 /nfs/dbraw/zinc/04/34/91/158043491.db2.gz QLDRRIWOQIUFKJ-INIZCTEOSA-N 2 1 336.480 1.571 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000377996746 158051832 /nfs/dbraw/zinc/05/18/32/158051832.db2.gz JUTVDKLLRVDZQP-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000378116850 158082571 /nfs/dbraw/zinc/08/25/71/158082571.db2.gz CVRSBLGYCHMJAX-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000378116850 158082573 /nfs/dbraw/zinc/08/25/73/158082573.db2.gz CVRSBLGYCHMJAX-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@]3(F)CC[NH2+]C3)c2)CCO1 ZINC000378209175 158109670 /nfs/dbraw/zinc/10/96/70/158109670.db2.gz JFSLITCJCCDTOX-RDTXWAMCSA-N 2 1 335.423 1.225 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@]3(F)CC[NH2+]C3)c2)CCO1 ZINC000378209175 158109674 /nfs/dbraw/zinc/10/96/74/158109674.db2.gz JFSLITCJCCDTOX-RDTXWAMCSA-N 2 1 335.423 1.225 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](CCO)CC1CC1 ZINC000352481959 162206025 /nfs/dbraw/zinc/20/60/25/162206025.db2.gz FSBVCPKUKUMFBH-QFBILLFUSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](CCO)CC1CC1 ZINC000352481959 162206028 /nfs/dbraw/zinc/20/60/28/162206028.db2.gz FSBVCPKUKUMFBH-QFBILLFUSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](CCO)CC1CC1 ZINC000352481959 162206030 /nfs/dbraw/zinc/20/60/30/162206030.db2.gz FSBVCPKUKUMFBH-QFBILLFUSA-N 2 1 345.487 1.470 20 0 EDADMP Cn1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(-c2cccs2)n1 ZINC000352535190 162237558 /nfs/dbraw/zinc/23/75/58/162237558.db2.gz NSSDRSCMWVISOC-OAHLLOKOSA-N 2 1 331.489 1.628 20 0 EDADMP C[C@@H](NC(=O)c1cnn(CC[NH+]2CCCCC2)c1)C1=CC[N@@H+](C)CC1 ZINC000376877058 287005449 /nfs/dbraw/zinc/00/54/49/287005449.db2.gz PEDLIMBJENTOPI-MRXNPFEDSA-N 2 1 345.491 1.749 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](CC)CC)CC[N@H+]1CCOC ZINC000344059343 287142981 /nfs/dbraw/zinc/14/29/81/287142981.db2.gz LQKARUIAHJHECO-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H]2CCC[C@H](C)C2)C1 ZINC000073619691 287262308 /nfs/dbraw/zinc/26/23/08/287262308.db2.gz FVGUKVPVYYAWJD-OKZBNKHCSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H]2CCC[C@H](C)C2)C1 ZINC000073619691 287262309 /nfs/dbraw/zinc/26/23/09/287262309.db2.gz FVGUKVPVYYAWJD-OKZBNKHCSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H]2CCC[C@H](C)C2)C1 ZINC000073619691 287262310 /nfs/dbraw/zinc/26/23/10/287262310.db2.gz FVGUKVPVYYAWJD-OKZBNKHCSA-N 2 1 339.524 1.970 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000081095042 287311397 /nfs/dbraw/zinc/31/13/97/287311397.db2.gz OMNHYFKPHUNCSV-SJLPKXTDSA-N 2 1 338.540 1.638 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000119113749 287349707 /nfs/dbraw/zinc/34/97/07/287349707.db2.gz OUQZTBXMTHJDIS-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171388128 227055208 /nfs/dbraw/zinc/05/52/08/227055208.db2.gz ZKWBGCWZGDDICX-CQSZACIVSA-N 2 1 338.496 1.807 20 0 EDADMP C[NH+]1CCC[C@H](CNc2cc(NC[C@@H]3CCC[N@H+](C)C3)ncn2)C1 ZINC000124229478 222394921 /nfs/dbraw/zinc/39/49/21/222394921.db2.gz DHYKVWMQPSTDOD-IYBDPMFKSA-N 2 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@@H](CNc2cc(NC[C@H]3CCC[N@H+](C)C3)ncn2)C1 ZINC000124229478 222394924 /nfs/dbraw/zinc/39/49/24/222394924.db2.gz DHYKVWMQPSTDOD-IYBDPMFKSA-N 2 1 332.496 1.984 20 0 EDADMP C[NH+]1CCC[C@@H](CNc2cc(NC[C@H]3CCC[N@@H+](C)C3)ncn2)C1 ZINC000124229478 222394926 /nfs/dbraw/zinc/39/49/26/222394926.db2.gz DHYKVWMQPSTDOD-IYBDPMFKSA-N 2 1 332.496 1.984 20 0 EDADMP CC[C@]1(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]1 ZINC000274618477 268169458 /nfs/dbraw/zinc/16/94/58/268169458.db2.gz OYYXWIIDQKXALC-FXAWDEMLSA-N 2 1 344.503 1.846 20 0 EDADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000275402134 268337565 /nfs/dbraw/zinc/33/75/65/268337565.db2.gz IYLFPXJRXIGYTN-INIZCTEOSA-N 2 1 344.459 1.036 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[NH+](C)CC1 ZINC000274189598 273076095 /nfs/dbraw/zinc/07/60/95/273076095.db2.gz HRSAZMJEDMPDHW-AEFFLSMTSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[N@H+](C)CC1 ZINC000274189598 273076096 /nfs/dbraw/zinc/07/60/96/273076096.db2.gz HRSAZMJEDMPDHW-AEFFLSMTSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000274189598 273076097 /nfs/dbraw/zinc/07/60/97/273076097.db2.gz HRSAZMJEDMPDHW-AEFFLSMTSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000157917993 287689190 /nfs/dbraw/zinc/68/91/90/287689190.db2.gz MLSNKZHCIQTFHT-IRXDYDNUSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000284591426 274255933 /nfs/dbraw/zinc/25/59/33/274255933.db2.gz MDXKKLSRARROKU-BHIYHBOVSA-N 2 1 345.487 1.544 20 0 EDADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442765559 276136839 /nfs/dbraw/zinc/13/68/39/276136839.db2.gz VKUQSWKNBVAPKP-OWCLPIDISA-N 2 1 347.459 1.344 20 0 EDADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442765559 276136840 /nfs/dbraw/zinc/13/68/40/276136840.db2.gz VKUQSWKNBVAPKP-OWCLPIDISA-N 2 1 347.459 1.344 20 0 EDADMP CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262150714 276140254 /nfs/dbraw/zinc/14/02/54/276140254.db2.gz PFHPHJCXYVDDPZ-KRWDZBQOSA-N 2 1 331.460 1.660 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)CC1 ZINC000331533261 276149864 /nfs/dbraw/zinc/14/98/64/276149864.db2.gz BIBKTBZNNNETAZ-MRXNPFEDSA-N 2 1 333.480 1.764 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)CC1 ZINC000331533261 276149865 /nfs/dbraw/zinc/14/98/65/276149865.db2.gz BIBKTBZNNNETAZ-MRXNPFEDSA-N 2 1 333.480 1.764 20 0 EDADMP CCOC1CC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)(N2CCOCC2)C1 ZINC000193404568 276309892 /nfs/dbraw/zinc/30/98/92/276309892.db2.gz MMKYNIWGNKBZOP-JOGYUHMRSA-N 2 1 339.524 1.575 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377637689 276361012 /nfs/dbraw/zinc/36/10/12/276361012.db2.gz UOOYDPUVZWKGNQ-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000377637689 276361013 /nfs/dbraw/zinc/36/10/13/276361013.db2.gz UOOYDPUVZWKGNQ-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000377637689 276361014 /nfs/dbraw/zinc/36/10/14/276361014.db2.gz UOOYDPUVZWKGNQ-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377637689 276361015 /nfs/dbraw/zinc/36/10/15/276361015.db2.gz UOOYDPUVZWKGNQ-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377637689 276361016 /nfs/dbraw/zinc/36/10/16/276361016.db2.gz UOOYDPUVZWKGNQ-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000355332274 276396503 /nfs/dbraw/zinc/39/65/03/276396503.db2.gz BBSVLSLJHDMVPI-QRQLOZEOSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000355332274 276396504 /nfs/dbraw/zinc/39/65/04/276396504.db2.gz BBSVLSLJHDMVPI-QRQLOZEOSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000355332274 276396507 /nfs/dbraw/zinc/39/65/07/276396507.db2.gz BBSVLSLJHDMVPI-QRQLOZEOSA-N 2 1 349.519 1.963 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H](CO)CC3CCCC3)cn2)CC1 ZINC000341490299 276930964 /nfs/dbraw/zinc/93/09/64/276930964.db2.gz RXKHCXDWZASGNO-QGZVFWFLSA-N 2 1 347.507 1.507 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+](Cc2ccccc2)CC2(CO)CC2)CC1 ZINC000341939760 277088893 /nfs/dbraw/zinc/08/88/93/277088893.db2.gz AGUMCKATWBZGII-UHFFFAOYSA-N 2 1 345.487 1.425 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2ccccc2)CC2(CO)CC2)CC1 ZINC000341939760 277088894 /nfs/dbraw/zinc/08/88/94/277088894.db2.gz AGUMCKATWBZGII-UHFFFAOYSA-N 2 1 345.487 1.425 20 0 EDADMP CC(C)(CNC(=O)N[C@@H](C[NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000417085888 277301062 /nfs/dbraw/zinc/30/10/62/277301062.db2.gz DGLSVFAYPFKRBH-KRWDZBQOSA-N 2 1 330.476 1.860 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355255126 277388307 /nfs/dbraw/zinc/38/83/07/277388307.db2.gz PDIYMXWGSHZPAK-HOTGVXAUSA-N 2 1 340.512 1.070 20 0 EDADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000424045068 278351081 /nfs/dbraw/zinc/35/10/81/278351081.db2.gz STYMWPMLZFXEFO-ROUUACIJSA-N 2 1 349.519 1.866 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363367103 279127545 /nfs/dbraw/zinc/12/75/45/279127545.db2.gz BQTNRKJUPPPFCJ-PMPSAXMXSA-N 2 1 326.485 1.125 20 0 EDADMP Cc1nocc1C[NH2+]C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339357238 279261613 /nfs/dbraw/zinc/26/16/13/279261613.db2.gz CNKWXZCQVFWMHJ-ZIAGYGMSSA-N 2 1 334.399 1.546 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@@H]3CCC[NH+](C)[C@@H]3C)CC2)CCO1 ZINC000345780982 288133923 /nfs/dbraw/zinc/13/39/23/288133923.db2.gz MZTAUSOYJBMXHG-BFYDXBDKSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)N[C@@H]3CCC[N@H+](C)[C@@H]3C)CC2)CCO1 ZINC000345780982 288133926 /nfs/dbraw/zinc/13/39/26/288133926.db2.gz MZTAUSOYJBMXHG-BFYDXBDKSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)[C@@H]3C)CC2)CCO1 ZINC000345780982 288133929 /nfs/dbraw/zinc/13/39/29/288133929.db2.gz MZTAUSOYJBMXHG-BFYDXBDKSA-N 2 1 338.496 1.364 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000431796421 280148475 /nfs/dbraw/zinc/14/84/75/280148475.db2.gz KPAKJSPKMBMBSO-WMZOPIPTSA-N 2 1 337.508 1.699 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000431796421 280148476 /nfs/dbraw/zinc/14/84/76/280148476.db2.gz KPAKJSPKMBMBSO-WMZOPIPTSA-N 2 1 337.508 1.699 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCCC1 ZINC000358831135 280246931 /nfs/dbraw/zinc/24/69/31/280246931.db2.gz PSBWPUONKSTFKZ-IRXDYDNUSA-N 2 1 339.528 1.042 20 0 EDADMP C[NH+](C)CC1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000354863216 289106783 /nfs/dbraw/zinc/10/67/83/289106783.db2.gz SNOSLDGTAISLLQ-LJQANCHMSA-N 2 1 346.519 1.679 20 0 EDADMP Cc1cc(N2CCC(NC(=O)CC[C@H]3CCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000292035661 289244670 /nfs/dbraw/zinc/24/46/70/289244670.db2.gz HLJVFUQKOHMOTM-OAHLLOKOSA-N 2 1 331.464 1.711 20 0 EDADMP Cc1ccoc1CN(C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000292390728 289333897 /nfs/dbraw/zinc/33/38/97/289333897.db2.gz SIGBKKRYUFTQLL-INIZCTEOSA-N 2 1 337.464 1.493 20 0 EDADMP Cc1ccoc1CN(C)CC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000292390728 289333901 /nfs/dbraw/zinc/33/39/01/289333901.db2.gz SIGBKKRYUFTQLL-INIZCTEOSA-N 2 1 337.464 1.493 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCNC(=O)C(F)(F)F ZINC000378439060 289333975 /nfs/dbraw/zinc/33/39/75/289333975.db2.gz ZPKVKFKCLBLLOP-AGIUHOORSA-N 2 1 337.386 1.239 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000172624143 289647818 /nfs/dbraw/zinc/64/78/18/289647818.db2.gz SLMVEGJBIJKGAW-IAGOWNOFSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)NC(N)=O ZINC000368234231 290013427 /nfs/dbraw/zinc/01/34/27/290013427.db2.gz JVCWHEQOOMVGNS-QMCVQRASSA-N 2 1 344.459 1.460 20 0 EDADMP COC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000367713748 293117862 /nfs/dbraw/zinc/11/78/62/293117862.db2.gz VLKVUVRFVNGQLB-HYVNUMGLSA-N 2 1 335.448 1.168 20 0 EDADMP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342763868 295632864 /nfs/dbraw/zinc/63/28/64/295632864.db2.gz DWFXNOSPHBZMNK-ZDUSSCGKSA-N 2 1 347.475 1.709 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000418802713 304532180 /nfs/dbraw/zinc/53/21/80/304532180.db2.gz YHRDKTYQQIZCOA-ROUUACIJSA-N 2 1 330.476 1.684 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)N[C@@H](C)CC[NH3+])cc1 ZINC000419033510 304557545 /nfs/dbraw/zinc/55/75/45/304557545.db2.gz CPFDHQGEEQIDCB-STQMWFEESA-N 2 1 343.431 1.211 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418687718 300219440 /nfs/dbraw/zinc/21/94/40/300219440.db2.gz RYSKHTBACFFKAR-DZJNRPSUSA-N 2 1 330.476 1.724 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000356731039 300243074 /nfs/dbraw/zinc/24/30/74/300243074.db2.gz SVMJSWKOCDUDEO-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000356731039 300243076 /nfs/dbraw/zinc/24/30/76/300243076.db2.gz SVMJSWKOCDUDEO-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356731039 300243079 /nfs/dbraw/zinc/24/30/79/300243079.db2.gz SVMJSWKOCDUDEO-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP Cc1cccc2nc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc(=O)n12 ZINC000344059680 302070119 /nfs/dbraw/zinc/07/01/19/302070119.db2.gz LRCNROXAANLQDE-UHFFFAOYSA-N 2 1 345.491 1.318 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000651194771 453346793 /nfs/dbraw/zinc/34/67/93/453346793.db2.gz QCZHGWHUMYKXBW-QGZVFWFLSA-N 2 1 341.544 1.290 20 0 EDADMP O=C1COc2ccc(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)cc2N1 ZINC000293733074 303011228 /nfs/dbraw/zinc/01/12/28/303011228.db2.gz WMSJZYPZVXHNBU-OAHLLOKOSA-N 2 1 333.432 1.344 20 0 EDADMP Cc1cccnc1CCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000295081673 303171279 /nfs/dbraw/zinc/17/12/79/303171279.db2.gz SCFFLJSJHPRQJV-UHFFFAOYSA-N 2 1 340.475 1.654 20 0 EDADMP CCOC(=O)c1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)[nH]c1C ZINC000295575995 303236864 /nfs/dbraw/zinc/23/68/64/303236864.db2.gz AZRWSZYHUFYPKG-UHFFFAOYSA-N 2 1 336.480 1.569 20 0 EDADMP C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC000295665204 303249561 /nfs/dbraw/zinc/24/95/61/303249561.db2.gz TTYHUQRJJABFHB-GOSISDBHSA-N 2 1 325.416 1.825 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC000295665204 303249562 /nfs/dbraw/zinc/24/95/62/303249562.db2.gz TTYHUQRJJABFHB-GOSISDBHSA-N 2 1 325.416 1.825 20 0 EDADMP [NH3+]CCN(CCc1ccccc1)C(=O)CCCN1CCC([NH3+])CC1 ZINC000340639549 303381056 /nfs/dbraw/zinc/38/10/56/303381056.db2.gz NPQBHXQOPVADGK-UHFFFAOYSA-N 2 1 332.492 1.220 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000414888862 447344533 /nfs/dbraw/zinc/34/45/33/447344533.db2.gz YFMHISGTGJVLDI-UHFFFAOYSA-N 2 1 346.475 1.725 20 0 EDADMP Cn1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccc(F)cc2)n1 ZINC000423195209 304889167 /nfs/dbraw/zinc/88/91/67/304889167.db2.gz YVJUHTJJHOUHIC-SFHVURJKSA-N 2 1 331.439 1.534 20 0 EDADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423282656 304891078 /nfs/dbraw/zinc/89/10/78/304891078.db2.gz DCMYIUCUYHAPFG-CYBMUJFWSA-N 2 1 341.477 1.095 20 0 EDADMP C[NH+]1CCC(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000424016977 304925439 /nfs/dbraw/zinc/92/54/39/304925439.db2.gz DXIRROJZENSVOW-UHFFFAOYSA-N 2 1 344.503 1.438 20 0 EDADMP COC(=O)[C@]1(c2ccccc2)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000428814449 305018382 /nfs/dbraw/zinc/01/83/82/305018382.db2.gz RYMYHRXCFIMBQO-PKOBYXMFSA-N 2 1 332.444 1.258 20 0 EDADMP COC(=O)[C@]1(c2ccccc2)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000428814449 305018383 /nfs/dbraw/zinc/01/83/83/305018383.db2.gz RYMYHRXCFIMBQO-PKOBYXMFSA-N 2 1 332.444 1.258 20 0 EDADMP COC(=O)[C@]1(c2ccccc2)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000428814449 305018384 /nfs/dbraw/zinc/01/83/84/305018384.db2.gz RYMYHRXCFIMBQO-PKOBYXMFSA-N 2 1 332.444 1.258 20 0 EDADMP COC(=O)[C@]1(c2ccccc2)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000428814449 305018385 /nfs/dbraw/zinc/01/83/85/305018385.db2.gz RYMYHRXCFIMBQO-PKOBYXMFSA-N 2 1 332.444 1.258 20 0 EDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC000428952552 305020864 /nfs/dbraw/zinc/02/08/64/305020864.db2.gz MTYOTYOGIKHLTN-HKUYNNGSSA-N 2 1 331.460 1.176 20 0 EDADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000428952552 305020865 /nfs/dbraw/zinc/02/08/65/305020865.db2.gz MTYOTYOGIKHLTN-HKUYNNGSSA-N 2 1 331.460 1.176 20 0 EDADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000428952552 305020866 /nfs/dbraw/zinc/02/08/66/305020866.db2.gz MTYOTYOGIKHLTN-HKUYNNGSSA-N 2 1 331.460 1.176 20 0 EDADMP CC(C)[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C1(CO)CCC1 ZINC000430111118 305045718 /nfs/dbraw/zinc/04/57/18/305045718.db2.gz NYBJGIZZDSYXIM-QGZVFWFLSA-N 2 1 347.507 1.505 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000430597406 305057768 /nfs/dbraw/zinc/05/77/68/305057768.db2.gz LTHBXRNUBQNYOM-QWHCGFSZSA-N 2 1 325.403 1.683 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000430597406 305057769 /nfs/dbraw/zinc/05/77/69/305057769.db2.gz LTHBXRNUBQNYOM-QWHCGFSZSA-N 2 1 325.403 1.683 20 0 EDADMP COc1c(C)cnc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1C ZINC000430609195 305058670 /nfs/dbraw/zinc/05/86/70/305058670.db2.gz HIBLVBFDFLWBAX-MRXNPFEDSA-N 2 1 346.475 1.351 20 0 EDADMP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430613731 305058914 /nfs/dbraw/zinc/05/89/14/305058914.db2.gz WMKZSJKWHSQSGV-UONOGXRCSA-N 2 1 349.479 1.572 20 0 EDADMP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430613731 305058915 /nfs/dbraw/zinc/05/89/15/305058915.db2.gz WMKZSJKWHSQSGV-UONOGXRCSA-N 2 1 349.479 1.572 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH3+])C2)cc1Cl ZINC000430623341 305059907 /nfs/dbraw/zinc/05/99/07/305059907.db2.gz MUKYRFLBYSHSRS-NSHDSACASA-N 2 1 338.839 1.438 20 0 EDADMP CCC[N@H+](CCNS(=O)(=O)c1ccccc1)C1CC[NH2+]CC1 ZINC000431074523 305074322 /nfs/dbraw/zinc/07/43/22/305074322.db2.gz VHYHWCJPWFHYEI-UHFFFAOYSA-N 2 1 325.478 1.429 20 0 EDADMP CCC[N@@H+](CCNS(=O)(=O)c1ccccc1)C1CC[NH2+]CC1 ZINC000431074523 305074323 /nfs/dbraw/zinc/07/43/23/305074323.db2.gz VHYHWCJPWFHYEI-UHFFFAOYSA-N 2 1 325.478 1.429 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)C1=O ZINC000431158954 305076141 /nfs/dbraw/zinc/07/61/41/305076141.db2.gz FAYPWMABODDFIS-DLBZAZTESA-N 2 1 329.444 1.555 20 0 EDADMP Cc1cc(C)n2c(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)cnc2n1 ZINC000432353795 305092028 /nfs/dbraw/zinc/09/20/28/305092028.db2.gz PKQRNMXNXMVBPW-INIZCTEOSA-N 2 1 331.464 1.937 20 0 EDADMP Cc1cc(C)n2c(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)cnc2n1 ZINC000432353795 305092029 /nfs/dbraw/zinc/09/20/29/305092029.db2.gz PKQRNMXNXMVBPW-INIZCTEOSA-N 2 1 331.464 1.937 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433458963 305109873 /nfs/dbraw/zinc/10/98/73/305109873.db2.gz VUKOPPGIDWRAKV-INIZCTEOSA-N 2 1 328.501 1.471 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000433870542 305114256 /nfs/dbraw/zinc/11/42/56/305114256.db2.gz RCEZBTCEOOECQZ-RHSMWYFYSA-N 2 1 339.505 1.755 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)CCCCCO)CC1 ZINC000434681949 305127492 /nfs/dbraw/zinc/12/74/92/305127492.db2.gz UDDQHLMXJQFYJE-GOSISDBHSA-N 2 1 347.503 1.986 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)CCCCCO)CC1 ZINC000434681949 305127493 /nfs/dbraw/zinc/12/74/93/305127493.db2.gz UDDQHLMXJQFYJE-GOSISDBHSA-N 2 1 347.503 1.986 20 0 EDADMP CC[N@H+](CC(=O)NCCOc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435629234 305143963 /nfs/dbraw/zinc/14/39/63/305143963.db2.gz XEWBHXNIKNZJSD-INIZCTEOSA-N 2 1 337.439 1.785 20 0 EDADMP CC[N@@H+](CC(=O)NCCOc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435629234 305143964 /nfs/dbraw/zinc/14/39/64/305143964.db2.gz XEWBHXNIKNZJSD-INIZCTEOSA-N 2 1 337.439 1.785 20 0 EDADMP C[NH2+]CCC[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000435886055 305148959 /nfs/dbraw/zinc/14/89/59/305148959.db2.gz RRVSPDCZEJJCER-SFHVURJKSA-N 2 1 331.508 1.525 20 0 EDADMP C[NH2+]CCC[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000435886055 305148960 /nfs/dbraw/zinc/14/89/60/305148960.db2.gz RRVSPDCZEJJCER-SFHVURJKSA-N 2 1 331.508 1.525 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC[NH+]1CCCOCC1 ZINC000436516472 305159324 /nfs/dbraw/zinc/15/93/24/305159324.db2.gz YWLJVFLPEKQHSG-INIZCTEOSA-N 2 1 326.485 1.272 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000436516472 305159325 /nfs/dbraw/zinc/15/93/25/305159325.db2.gz YWLJVFLPEKQHSG-INIZCTEOSA-N 2 1 326.485 1.272 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000436516472 305159326 /nfs/dbraw/zinc/15/93/26/305159326.db2.gz YWLJVFLPEKQHSG-INIZCTEOSA-N 2 1 326.485 1.272 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000436514545 305159393 /nfs/dbraw/zinc/15/93/93/305159393.db2.gz RFGFUNILFSVMDW-UHFFFAOYSA-N 2 1 326.485 1.226 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000436515041 305159405 /nfs/dbraw/zinc/15/94/05/305159405.db2.gz SZXCGSCJMUAMTH-UHFFFAOYSA-N 2 1 338.496 1.369 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000439806281 305201705 /nfs/dbraw/zinc/20/17/05/305201705.db2.gz KKZPLLSJOBULBS-QGZVFWFLSA-N 2 1 336.480 1.881 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000440512374 305208959 /nfs/dbraw/zinc/20/89/59/305208959.db2.gz KHYDQROXMRIBRV-QUCCMNQESA-N 2 1 345.487 1.614 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440512374 305208960 /nfs/dbraw/zinc/20/89/60/305208960.db2.gz KHYDQROXMRIBRV-QUCCMNQESA-N 2 1 345.487 1.614 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440512374 305208961 /nfs/dbraw/zinc/20/89/61/305208961.db2.gz KHYDQROXMRIBRV-QUCCMNQESA-N 2 1 345.487 1.614 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000441281447 305220088 /nfs/dbraw/zinc/22/00/88/305220088.db2.gz FIXQGPGPMUWDDV-HZPDHXFCSA-N 2 1 335.492 1.478 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C(C)C)CC2)C1 ZINC000441460191 305222403 /nfs/dbraw/zinc/22/24/03/305222403.db2.gz YDWVKPVCMYYCRD-GOSISDBHSA-N 2 1 339.524 1.827 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000442277023 305228099 /nfs/dbraw/zinc/22/80/99/305228099.db2.gz UUJGXPISGLXINO-CABCVRRESA-N 2 1 346.475 1.546 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000442277023 305228100 /nfs/dbraw/zinc/22/81/00/305228100.db2.gz UUJGXPISGLXINO-CABCVRRESA-N 2 1 346.475 1.546 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](COC)C1CC1 ZINC000442285066 305228126 /nfs/dbraw/zinc/22/81/26/305228126.db2.gz PIAVFSSREMAUPD-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3C[NH2+]CCO3)c2)C[C@H](C)O1 ZINC000446369020 305263853 /nfs/dbraw/zinc/26/38/53/305263853.db2.gz KYPOMHDVNSESIH-ZQIUZPCESA-N 2 1 333.432 1.223 20 0 EDADMP Cn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(-c2ccc(F)cc2)n1 ZINC000449095036 305306450 /nfs/dbraw/zinc/30/64/50/305306450.db2.gz VSWWJRHOLVXVLT-QGZVFWFLSA-N 2 1 332.423 1.773 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449329033 305311681 /nfs/dbraw/zinc/31/16/81/305311681.db2.gz HDRNNJWTHJDHNZ-HNAYVOBHSA-N 2 1 326.444 1.875 20 0 EDADMP O=C(C[NH2+]Cc1cc2cccnc2o1)NCC[NH+]1CCCCCC1 ZINC000449339012 305311950 /nfs/dbraw/zinc/31/19/50/305311950.db2.gz IIGKIYHQPTUYAQ-UHFFFAOYSA-N 2 1 330.432 1.910 20 0 EDADMP CCOc1cccc(C[N@H+](CCO)CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000452043879 305379700 /nfs/dbraw/zinc/37/97/00/305379700.db2.gz FYWOSUPPTMFQQY-UHFFFAOYSA-N 2 1 349.475 1.044 20 0 EDADMP CCOc1cccc(C[N@@H+](CCO)CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000452043879 305379701 /nfs/dbraw/zinc/37/97/01/305379701.db2.gz FYWOSUPPTMFQQY-UHFFFAOYSA-N 2 1 349.475 1.044 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000452349415 305391323 /nfs/dbraw/zinc/39/13/23/305391323.db2.gz MRFBDBHYNQWRLP-RBUKOAKNSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000452349415 305391324 /nfs/dbraw/zinc/39/13/24/305391324.db2.gz MRFBDBHYNQWRLP-RBUKOAKNSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000452349415 305391325 /nfs/dbraw/zinc/39/13/25/305391325.db2.gz MRFBDBHYNQWRLP-RBUKOAKNSA-N 2 1 345.487 1.614 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414911037 447353563 /nfs/dbraw/zinc/35/35/63/447353563.db2.gz SLTHUGFBMUCASL-AWEZNQCLSA-N 2 1 344.459 1.419 20 0 EDADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422120987 447359117 /nfs/dbraw/zinc/35/91/17/447359117.db2.gz QQQHYRSHJITONL-MRXNPFEDSA-N 2 1 340.512 1.119 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000529313782 305907914 /nfs/dbraw/zinc/90/79/14/305907914.db2.gz BILDJVPJUKBISG-ZACQAIPSSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)C[C@@H](C)O1 ZINC000425955324 447367036 /nfs/dbraw/zinc/36/70/36/447367036.db2.gz YZMDTAHZSXXVKY-MDZRGWNJSA-N 2 1 349.519 1.961 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)CC(C)C ZINC000538687331 306032227 /nfs/dbraw/zinc/03/22/27/306032227.db2.gz SGASMDHMRXDWDQ-MRXNPFEDSA-N 2 1 348.557 1.167 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000541893931 306049103 /nfs/dbraw/zinc/04/91/03/306049103.db2.gz LVOIKLBKRPQALW-HNNXBMFYSA-N 2 1 338.496 1.171 20 0 EDADMP CC1CC[NH+](C[C@@H](O)CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000556162327 306208548 /nfs/dbraw/zinc/20/85/48/306208548.db2.gz SFFCFKQDMICLPV-KRWDZBQOSA-N 2 1 343.431 1.090 20 0 EDADMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000557232971 306226997 /nfs/dbraw/zinc/22/69/97/306226997.db2.gz MXTVFWZBXJMUHS-NYTXWWLZSA-N 2 1 349.504 1.133 20 0 EDADMP FC(F)(F)[C@@H](C[NH2+]Cc1csc(C2CC2)n1)N1CC[NH2+]CC1 ZINC000414974168 447380174 /nfs/dbraw/zinc/38/01/74/447380174.db2.gz LBDSXKRXJWGVMI-GFCCVEGCSA-N 2 1 334.411 1.946 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000449708047 447388739 /nfs/dbraw/zinc/38/87/39/447388739.db2.gz FQWMLNQZROPWCS-IRXDYDNUSA-N 2 1 335.423 1.285 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000449708047 447388744 /nfs/dbraw/zinc/38/87/44/447388744.db2.gz FQWMLNQZROPWCS-IRXDYDNUSA-N 2 1 335.423 1.285 20 0 EDADMP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000426321772 447415082 /nfs/dbraw/zinc/41/50/82/447415082.db2.gz FNMPQLPPMVSULI-QGZVFWFLSA-N 2 1 335.492 1.765 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@@H]1C ZINC000419802708 447422817 /nfs/dbraw/zinc/42/28/17/447422817.db2.gz MEOYEJBMMGERNE-LSDHHAIUSA-N 2 1 338.496 1.095 20 0 EDADMP C[C@H](CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000057700590 441127458 /nfs/dbraw/zinc/12/74/58/441127458.db2.gz MHPIMILTAWLLRG-QGZVFWFLSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H](CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000057700590 441127461 /nfs/dbraw/zinc/12/74/61/441127461.db2.gz MHPIMILTAWLLRG-QGZVFWFLSA-N 2 1 344.503 1.403 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000098034473 441148417 /nfs/dbraw/zinc/14/84/17/441148417.db2.gz AVHJCNOZUBTURJ-BRWVUGGUSA-N 2 1 342.528 1.620 20 0 EDADMP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000080653184 441187193 /nfs/dbraw/zinc/18/71/93/441187193.db2.gz IQLHUHGEMQGFAM-KURKYZTESA-N 2 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000080653184 441187200 /nfs/dbraw/zinc/18/72/00/441187200.db2.gz IQLHUHGEMQGFAM-KURKYZTESA-N 2 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000080653184 441187203 /nfs/dbraw/zinc/18/72/03/441187203.db2.gz IQLHUHGEMQGFAM-KURKYZTESA-N 2 1 336.524 1.251 20 0 EDADMP Cn1nccc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000080201364 441150562 /nfs/dbraw/zinc/15/05/62/441150562.db2.gz OYISBNXTDMDFPE-KRWDZBQOSA-N 2 1 341.459 1.407 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000105134998 441237072 /nfs/dbraw/zinc/23/70/72/441237072.db2.gz CAYFJEJUOWCPFE-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CN(C)CCO1)N1CCc2ccccc2C1 ZINC000104779898 441207377 /nfs/dbraw/zinc/20/73/77/441207377.db2.gz UDKCTJXHVJMDCL-MAUKXSAKSA-N 2 1 346.475 1.063 20 0 EDADMP Cc1cc(N2CCC([N@H+](C)CCCN3CCOCC3)CC2)nc(C)[nH+]1 ZINC000080967713 441213901 /nfs/dbraw/zinc/21/39/01/441213901.db2.gz HVERUVOPJCCJPJ-UHFFFAOYSA-N 2 1 347.507 1.716 20 0 EDADMP Cc1cc(N2CCC([N@@H+](C)CCCN3CCOCC3)CC2)nc(C)[nH+]1 ZINC000080967713 441213905 /nfs/dbraw/zinc/21/39/05/441213905.db2.gz HVERUVOPJCCJPJ-UHFFFAOYSA-N 2 1 347.507 1.716 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000105442695 441256439 /nfs/dbraw/zinc/25/64/39/441256439.db2.gz ILZHEQRGANZFHK-AWEZNQCLSA-N 2 1 346.479 1.496 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000072908389 441276265 /nfs/dbraw/zinc/27/62/65/441276265.db2.gz XOHNKJZXHIBKEC-QGZVFWFLSA-N 2 1 334.464 1.131 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000072908389 441276269 /nfs/dbraw/zinc/27/62/69/441276269.db2.gz XOHNKJZXHIBKEC-QGZVFWFLSA-N 2 1 334.464 1.131 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000072908389 441276272 /nfs/dbraw/zinc/27/62/72/441276272.db2.gz XOHNKJZXHIBKEC-QGZVFWFLSA-N 2 1 334.464 1.131 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000072908389 441276275 /nfs/dbraw/zinc/27/62/75/441276275.db2.gz XOHNKJZXHIBKEC-QGZVFWFLSA-N 2 1 334.464 1.131 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)N2CCOCC2)C1 ZINC000072974839 441281633 /nfs/dbraw/zinc/28/16/33/441281633.db2.gz YIMQFDDSNWMOSZ-QZTJIDSGSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000072974839 441281639 /nfs/dbraw/zinc/28/16/39/441281639.db2.gz YIMQFDDSNWMOSZ-QZTJIDSGSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000072974839 441281644 /nfs/dbraw/zinc/28/16/44/441281644.db2.gz YIMQFDDSNWMOSZ-QZTJIDSGSA-N 2 1 337.508 1.822 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000073012871 441285656 /nfs/dbraw/zinc/28/56/56/441285656.db2.gz GYMQLZKLUNYRAN-KRWDZBQOSA-N 2 1 330.476 1.116 20 0 EDADMP CC[N@H+](C)Cc1cccc(CNC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000061794072 441290242 /nfs/dbraw/zinc/29/02/42/441290242.db2.gz VPSSMDROBNFHBI-UHFFFAOYSA-N 2 1 348.491 1.660 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000061794072 441290246 /nfs/dbraw/zinc/29/02/46/441290246.db2.gz VPSSMDROBNFHBI-UHFFFAOYSA-N 2 1 348.491 1.660 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000073611321 441332429 /nfs/dbraw/zinc/33/24/29/441332429.db2.gz MCCIMIQERJXCEH-UHFFFAOYSA-N 2 1 346.519 1.896 20 0 EDADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000073639874 441337220 /nfs/dbraw/zinc/33/72/20/441337220.db2.gz FBFUPBHWYUVQIT-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000073639874 441337222 /nfs/dbraw/zinc/33/72/22/441337222.db2.gz FBFUPBHWYUVQIT-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000073639874 441337224 /nfs/dbraw/zinc/33/72/24/441337224.db2.gz FBFUPBHWYUVQIT-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000073639874 441337226 /nfs/dbraw/zinc/33/72/26/441337226.db2.gz FBFUPBHWYUVQIT-QGZVFWFLSA-N 2 1 325.497 1.678 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000074065052 441388458 /nfs/dbraw/zinc/38/84/58/441388458.db2.gz WHYBHBDCVHVEJE-SFHVURJKSA-N 2 1 348.491 1.481 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000074065052 441388461 /nfs/dbraw/zinc/38/84/61/441388461.db2.gz WHYBHBDCVHVEJE-SFHVURJKSA-N 2 1 348.491 1.481 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000074065052 441388462 /nfs/dbraw/zinc/38/84/62/441388462.db2.gz WHYBHBDCVHVEJE-SFHVURJKSA-N 2 1 348.491 1.481 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(OC)ccc3OC)C2)CC1 ZINC000107371207 441413838 /nfs/dbraw/zinc/41/38/38/441413838.db2.gz OWQUVAULCMKCTH-KRWDZBQOSA-N 2 1 333.476 1.916 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000108541119 441462080 /nfs/dbraw/zinc/46/20/80/441462080.db2.gz BIASYLBSYWYETI-MOPGFXCFSA-N 2 1 344.503 1.943 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC000112916947 441567571 /nfs/dbraw/zinc/56/75/71/441567571.db2.gz DBIOMDAWLDHHKK-HKUYNNGSSA-N 2 1 346.519 1.822 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000089962857 441606581 /nfs/dbraw/zinc/60/65/81/441606581.db2.gz QXQLCTCGSPOPFD-OKZBNKHCSA-N 2 1 333.476 1.324 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000090526886 441632575 /nfs/dbraw/zinc/63/25/75/441632575.db2.gz ZGIBHLNAFMKMPX-XIRDDKMYSA-N 2 1 336.480 1.023 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000090526886 441632577 /nfs/dbraw/zinc/63/25/77/441632577.db2.gz ZGIBHLNAFMKMPX-XIRDDKMYSA-N 2 1 336.480 1.023 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000090526886 441632581 /nfs/dbraw/zinc/63/25/81/441632581.db2.gz ZGIBHLNAFMKMPX-XIRDDKMYSA-N 2 1 336.480 1.023 20 0 EDADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000090526886 441632584 /nfs/dbraw/zinc/63/25/84/441632584.db2.gz ZGIBHLNAFMKMPX-XIRDDKMYSA-N 2 1 336.480 1.023 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000090581919 441637107 /nfs/dbraw/zinc/63/71/07/441637107.db2.gz IARBZYMYYANOIB-WCQYABFASA-N 2 1 331.507 1.265 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@@H](C)C(C)C ZINC000067653858 441663237 /nfs/dbraw/zinc/66/32/37/441663237.db2.gz SPPYNWGPKOVUAZ-IRXDYDNUSA-N 2 1 327.513 1.826 20 0 EDADMP CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H](C)C(C)C ZINC000067653858 441663240 /nfs/dbraw/zinc/66/32/40/441663240.db2.gz SPPYNWGPKOVUAZ-IRXDYDNUSA-N 2 1 327.513 1.826 20 0 EDADMP CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@@H](C)C(C)C ZINC000067653858 441663244 /nfs/dbraw/zinc/66/32/44/441663244.db2.gz SPPYNWGPKOVUAZ-IRXDYDNUSA-N 2 1 327.513 1.826 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000067685442 441667103 /nfs/dbraw/zinc/66/71/03/441667103.db2.gz JMQMRRVQMGLMMD-IRXDYDNUSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000067685442 441667107 /nfs/dbraw/zinc/66/71/07/441667107.db2.gz JMQMRRVQMGLMMD-IRXDYDNUSA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000067685440 441667131 /nfs/dbraw/zinc/66/71/31/441667131.db2.gz JMQMRRVQMGLMMD-DLBZAZTESA-N 2 1 340.512 1.373 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000067685440 441667137 /nfs/dbraw/zinc/66/71/37/441667137.db2.gz JMQMRRVQMGLMMD-DLBZAZTESA-N 2 1 340.512 1.373 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000137403848 441767804 /nfs/dbraw/zinc/76/78/04/441767804.db2.gz SDNAJLPKOOEJAQ-IAGOWNOFSA-N 2 1 335.517 1.713 20 0 EDADMP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000077407851 441775095 /nfs/dbraw/zinc/77/50/95/441775095.db2.gz LIHGGXLKXJBVPZ-KRWDZBQOSA-N 2 1 335.423 1.239 20 0 EDADMP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000077407851 441775102 /nfs/dbraw/zinc/77/51/02/441775102.db2.gz LIHGGXLKXJBVPZ-KRWDZBQOSA-N 2 1 335.423 1.239 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@@H](Cc2nccn2C)C1)[N@@H+](C)C1CC1 ZINC000138949856 441800549 /nfs/dbraw/zinc/80/05/49/441800549.db2.gz JXSQLWYTMVIEGJ-CABCVRRESA-N 2 1 333.480 1.867 20 0 EDADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000173617301 441805667 /nfs/dbraw/zinc/80/56/67/441805667.db2.gz OEWRVAOWTKTNTQ-CQSZACIVSA-N 2 1 338.496 1.996 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000173731554 441830960 /nfs/dbraw/zinc/83/09/60/441830960.db2.gz QMSXNMISQKOOGS-MRXNPFEDSA-N 2 1 346.475 1.487 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C[NH+]1CCOCC1 ZINC000141702956 441855118 /nfs/dbraw/zinc/85/51/18/441855118.db2.gz DWKZQMYAIOBXOZ-GVDBMIGSSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C[NH+]1CCOCC1 ZINC000141702956 441855123 /nfs/dbraw/zinc/85/51/23/441855123.db2.gz DWKZQMYAIOBXOZ-GVDBMIGSSA-N 2 1 338.496 1.080 20 0 EDADMP CCc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[NH+](C)C)cc1 ZINC000174451853 441926413 /nfs/dbraw/zinc/92/64/13/441926413.db2.gz WZYQFFQENTYKMI-ROUUACIJSA-N 2 1 333.476 1.689 20 0 EDADMP CCc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[NH+](C)C)cc1 ZINC000174451853 441926418 /nfs/dbraw/zinc/92/64/18/441926418.db2.gz WZYQFFQENTYKMI-ROUUACIJSA-N 2 1 333.476 1.689 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174291688 441910338 /nfs/dbraw/zinc/91/03/38/441910338.db2.gz GTKOKQZKHLRRSD-MRXNPFEDSA-N 2 1 326.485 1.082 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000456705571 447442821 /nfs/dbraw/zinc/44/28/21/447442821.db2.gz ZKYXMPXGPADCIA-HNNXBMFYSA-N 2 1 325.497 1.676 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000456705571 447442827 /nfs/dbraw/zinc/44/28/27/447442827.db2.gz ZKYXMPXGPADCIA-HNNXBMFYSA-N 2 1 325.497 1.676 20 0 EDADMP C[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000174851904 441975723 /nfs/dbraw/zinc/97/57/23/441975723.db2.gz XTPBMHBJYJKBSH-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP C[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000174851904 441975728 /nfs/dbraw/zinc/97/57/28/441975728.db2.gz XTPBMHBJYJKBSH-MOPGFXCFSA-N 2 1 345.487 1.688 20 0 EDADMP COCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000175109931 442005586 /nfs/dbraw/zinc/00/55/86/442005586.db2.gz KCVSCGJOGQXXMY-KRWDZBQOSA-N 2 1 337.439 1.485 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000175109931 442005592 /nfs/dbraw/zinc/00/55/92/442005592.db2.gz KCVSCGJOGQXXMY-KRWDZBQOSA-N 2 1 337.439 1.485 20 0 EDADMP COCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000175109931 442005594 /nfs/dbraw/zinc/00/55/94/442005594.db2.gz KCVSCGJOGQXXMY-KRWDZBQOSA-N 2 1 337.439 1.485 20 0 EDADMP COCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000175109931 442005601 /nfs/dbraw/zinc/00/56/01/442005601.db2.gz KCVSCGJOGQXXMY-KRWDZBQOSA-N 2 1 337.439 1.485 20 0 EDADMP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151148244 442014384 /nfs/dbraw/zinc/01/43/84/442014384.db2.gz QUCJVWCOMCZQNO-BZSNNMDCSA-N 2 1 326.481 1.493 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[NH+](C(C)C)CC2)C1 ZINC000069731694 442023549 /nfs/dbraw/zinc/02/35/49/442023549.db2.gz YNIWCLYOHYCHDZ-KRWDZBQOSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCC[N@@H+](C(C)C)CC2)C1 ZINC000069731694 442023553 /nfs/dbraw/zinc/02/35/53/442023553.db2.gz YNIWCLYOHYCHDZ-KRWDZBQOSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCC[N@H+](C(C)C)CC2)C1 ZINC000069731694 442023557 /nfs/dbraw/zinc/02/35/57/442023557.db2.gz YNIWCLYOHYCHDZ-KRWDZBQOSA-N 2 1 340.512 1.469 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)COc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000162818188 442125010 /nfs/dbraw/zinc/12/50/10/442125010.db2.gz CDHRKTTVFVTVBH-ZOBUZTSGSA-N 2 1 348.443 1.571 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)COc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000162818188 442125011 /nfs/dbraw/zinc/12/50/11/442125011.db2.gz CDHRKTTVFVTVBH-ZOBUZTSGSA-N 2 1 348.443 1.571 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)COc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000162818188 442125014 /nfs/dbraw/zinc/12/50/14/442125014.db2.gz CDHRKTTVFVTVBH-ZOBUZTSGSA-N 2 1 348.443 1.571 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000175935095 442149510 /nfs/dbraw/zinc/14/95/10/442149510.db2.gz ZBGBFAOZPODQJJ-UHFFFAOYSA-N 2 1 344.459 1.241 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000126616392 442127402 /nfs/dbraw/zinc/12/74/02/442127402.db2.gz NQSBZLOUBRRWFX-MRXNPFEDSA-N 2 1 342.487 1.828 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000126616392 442127405 /nfs/dbraw/zinc/12/74/05/442127405.db2.gz NQSBZLOUBRRWFX-MRXNPFEDSA-N 2 1 342.487 1.828 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000126616392 442127410 /nfs/dbraw/zinc/12/74/10/442127410.db2.gz NQSBZLOUBRRWFX-MRXNPFEDSA-N 2 1 342.487 1.828 20 0 EDADMP CCOc1ccnc(N2CCC[N@H+](CCCn3cc[nH+]c3C)CC2)n1 ZINC000127413470 442200874 /nfs/dbraw/zinc/20/08/74/442200874.db2.gz UCVDGFJFUHSXRR-UHFFFAOYSA-N 2 1 344.463 1.983 20 0 EDADMP CCOc1ccnc(N2CCC[N@@H+](CCCn3cc[nH+]c3C)CC2)n1 ZINC000127413470 442200877 /nfs/dbraw/zinc/20/08/77/442200877.db2.gz UCVDGFJFUHSXRR-UHFFFAOYSA-N 2 1 344.463 1.983 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000128651366 442280327 /nfs/dbraw/zinc/28/03/27/442280327.db2.gz RDANIYHFQJIWEP-DLBZAZTESA-N 2 1 345.491 1.193 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000154325001 442332872 /nfs/dbraw/zinc/33/28/72/442332872.db2.gz ZKYCQHVOBQZQQK-SFHVURJKSA-N 2 1 335.492 1.717 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000177504257 442350627 /nfs/dbraw/zinc/35/06/27/442350627.db2.gz HCVIMDZVKSFFMM-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000133628699 442426886 /nfs/dbraw/zinc/42/68/86/442426886.db2.gz YXTUEGHYLOQVKJ-KZNAEPCWSA-N 3 1 346.523 1.307 20 0 EDADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000133628699 442426889 /nfs/dbraw/zinc/42/68/89/442426889.db2.gz YXTUEGHYLOQVKJ-KZNAEPCWSA-N 3 1 346.523 1.307 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000134019298 442446052 /nfs/dbraw/zinc/44/60/52/442446052.db2.gz YOWJSHQXEKLXPG-ZWKOTPCHSA-N 2 1 330.476 1.186 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)CC1 ZINC000134254097 442462509 /nfs/dbraw/zinc/46/25/09/442462509.db2.gz BNTMZLRJXNSKKN-KXBFYZLASA-N 2 1 345.487 1.911 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)CC1 ZINC000134254097 442462517 /nfs/dbraw/zinc/46/25/17/442462517.db2.gz BNTMZLRJXNSKKN-KXBFYZLASA-N 2 1 345.487 1.911 20 0 EDADMP C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186472746 442540752 /nfs/dbraw/zinc/54/07/52/442540752.db2.gz SPGVLNYTHCLXAL-NUJGCVRESA-N 2 1 332.492 1.430 20 0 EDADMP O=C(C[C@H]1CCC[NH2+]1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000178874979 442511456 /nfs/dbraw/zinc/51/14/56/442511456.db2.gz AEMVRLTXDSNFSB-LJQANCHMSA-N 2 1 344.503 1.453 20 0 EDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192104078 442593174 /nfs/dbraw/zinc/59/31/74/442593174.db2.gz KDQFJWGHKWYOGV-CHWSQXEVSA-N 2 1 348.447 1.005 20 0 EDADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000192721562 442680119 /nfs/dbraw/zinc/68/01/19/442680119.db2.gz GLNYXWJFCQDNGX-KRWDZBQOSA-N 2 1 345.553 1.302 20 0 EDADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000192940526 442699651 /nfs/dbraw/zinc/69/96/51/442699651.db2.gz CJDWZOZSFJTAFR-CQSZACIVSA-N 2 1 325.478 1.861 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000188060627 442706501 /nfs/dbraw/zinc/70/65/01/442706501.db2.gz XWPDFGVEMBZVAK-CRAIPNDOSA-N 2 1 331.460 1.666 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000187322077 442669842 /nfs/dbraw/zinc/66/98/42/442669842.db2.gz JCYIMTRTFSXHGJ-KRWDZBQOSA-N 2 1 340.512 1.376 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000187322077 442669843 /nfs/dbraw/zinc/66/98/43/442669843.db2.gz JCYIMTRTFSXHGJ-KRWDZBQOSA-N 2 1 340.512 1.376 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000187322077 442669845 /nfs/dbraw/zinc/66/98/45/442669845.db2.gz JCYIMTRTFSXHGJ-KRWDZBQOSA-N 2 1 340.512 1.376 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1cncc(O)c1 ZINC000181952410 442723581 /nfs/dbraw/zinc/72/35/81/442723581.db2.gz DQJQVIPRBLDXRK-OZSKJFCKSA-N 2 1 346.475 1.675 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000193292208 442730082 /nfs/dbraw/zinc/73/00/82/442730082.db2.gz SOSIUSCQTAETRI-RDJZCZTQSA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000193292208 442730085 /nfs/dbraw/zinc/73/00/85/442730085.db2.gz SOSIUSCQTAETRI-RDJZCZTQSA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000193292208 442730088 /nfs/dbraw/zinc/73/00/88/442730088.db2.gz SOSIUSCQTAETRI-RDJZCZTQSA-N 2 1 338.496 1.127 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccnc(N)c3)CC2)CC1 ZINC000193427154 442741719 /nfs/dbraw/zinc/74/17/19/442741719.db2.gz QSJZXZBGAKGDDP-UHFFFAOYSA-N 2 1 331.464 1.040 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000182203991 442745137 /nfs/dbraw/zinc/74/51/37/442745137.db2.gz DDGOOQXQQKSOMW-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP C[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000181698152 442710979 /nfs/dbraw/zinc/71/09/79/442710979.db2.gz USPQFAQWNICWBM-SFHVURJKSA-N 2 1 331.460 1.349 20 0 EDADMP C[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000181698152 442710982 /nfs/dbraw/zinc/71/09/82/442710982.db2.gz USPQFAQWNICWBM-SFHVURJKSA-N 2 1 331.460 1.349 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000246396656 442779029 /nfs/dbraw/zinc/77/90/29/442779029.db2.gz JJVMINGSSOQWNV-HOCLYGCPSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000246396656 442779036 /nfs/dbraw/zinc/77/90/36/442779036.db2.gz JJVMINGSSOQWNV-HOCLYGCPSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000246396656 442779038 /nfs/dbraw/zinc/77/90/38/442779038.db2.gz JJVMINGSSOQWNV-HOCLYGCPSA-N 2 1 326.485 1.125 20 0 EDADMP CC[N@@H+](CC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000193778887 442785310 /nfs/dbraw/zinc/78/53/10/442785310.db2.gz ILTLLTOEKKPUAW-UHFFFAOYSA-N 2 1 344.503 1.799 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000265523154 442808783 /nfs/dbraw/zinc/80/87/83/442808783.db2.gz IGWJEYZUALGGOD-MSOLQXFVSA-N 2 1 348.491 1.618 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)CC1 ZINC000188796205 442814969 /nfs/dbraw/zinc/81/49/69/442814969.db2.gz DRFIXKHQVBDLGP-ZWKOTPCHSA-N 2 1 348.466 1.140 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1ccccc1F ZINC000182969229 442857220 /nfs/dbraw/zinc/85/72/20/442857220.db2.gz DOCFTBLCLAZOLH-MRXNPFEDSA-N 2 1 339.455 1.135 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000247812259 442868686 /nfs/dbraw/zinc/86/86/86/442868686.db2.gz VFMXBQOTYHHNIO-IXDOHACOSA-N 2 1 339.528 1.042 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2n[nH]nc2c1 ZINC000195122454 442985182 /nfs/dbraw/zinc/98/51/82/442985182.db2.gz KOMCPBGBXYIELU-OAHLLOKOSA-N 2 1 344.463 1.446 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCc2sccc2C1 ZINC000195130165 442987230 /nfs/dbraw/zinc/98/72/30/442987230.db2.gz VSEPPRBJPWLBIA-HIFRSBDPSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CCc2sccc2C1 ZINC000195130165 442987235 /nfs/dbraw/zinc/98/72/35/442987235.db2.gz VSEPPRBJPWLBIA-HIFRSBDPSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+]1C)[N@@H+]1CCc2sccc2C1 ZINC000195130165 442987239 /nfs/dbraw/zinc/98/72/39/442987239.db2.gz VSEPPRBJPWLBIA-HIFRSBDPSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+]1C)[N@H+]1CCc2sccc2C1 ZINC000195130165 442987243 /nfs/dbraw/zinc/98/72/43/442987243.db2.gz VSEPPRBJPWLBIA-HIFRSBDPSA-N 2 1 336.505 1.888 20 0 EDADMP CC[C@@]1(CO)CCC[NH+](CC(O)C[N@H+]2CCC[C@@](CC)(CO)C2)C1 ZINC000194783011 442953078 /nfs/dbraw/zinc/95/30/78/442953078.db2.gz RMRRSZMPMCUSRG-RTBURBONSA-N 2 1 342.524 1.316 20 0 EDADMP CC[C@@]1(CO)CCC[NH+](CC(O)C[N@@H+]2CCC[C@@](CC)(CO)C2)C1 ZINC000194783011 442953083 /nfs/dbraw/zinc/95/30/83/442953083.db2.gz RMRRSZMPMCUSRG-RTBURBONSA-N 2 1 342.524 1.316 20 0 EDADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000266112310 443021767 /nfs/dbraw/zinc/02/17/67/443021767.db2.gz GHWUNFKBSCLZJI-SFHVURJKSA-N 2 1 333.476 1.688 20 0 EDADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000266112310 443021770 /nfs/dbraw/zinc/02/17/70/443021770.db2.gz GHWUNFKBSCLZJI-SFHVURJKSA-N 2 1 333.476 1.688 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CC[C@@H](C)O3)CC2)CC1 ZINC000190535862 443130698 /nfs/dbraw/zinc/13/06/98/443130698.db2.gz SIBKDDKCEILCEY-AEFFLSMTSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CCC[NH3+])cc2)CC1 ZINC000236868511 443151149 /nfs/dbraw/zinc/15/11/49/443151149.db2.gz RFWDRMLLQCWCGT-UHFFFAOYSA-N 2 1 332.448 1.071 20 0 EDADMP C[C@H](CNC(=O)CCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000245382018 443220908 /nfs/dbraw/zinc/22/09/08/443220908.db2.gz GQEXADFXBWFHRM-DLBZAZTESA-N 2 1 325.497 1.726 20 0 EDADMP C[C@H](CNC(=O)CCCC[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000245382018 443220911 /nfs/dbraw/zinc/22/09/11/443220911.db2.gz GQEXADFXBWFHRM-DLBZAZTESA-N 2 1 325.497 1.726 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000245432243 443226958 /nfs/dbraw/zinc/22/69/58/443226958.db2.gz OMNHYFKPHUNCSV-WMZOPIPTSA-N 2 1 338.540 1.638 20 0 EDADMP CC(C)CNC(=O)NC(=O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674587 443236392 /nfs/dbraw/zinc/23/63/92/443236392.db2.gz TWBSYFOQRICCCH-HUUCEWRRSA-N 2 1 338.496 1.711 20 0 EDADMP CC(C)CNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674587 443236395 /nfs/dbraw/zinc/23/63/95/443236395.db2.gz TWBSYFOQRICCCH-HUUCEWRRSA-N 2 1 338.496 1.711 20 0 EDADMP CC(C)CNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674587 443236400 /nfs/dbraw/zinc/23/64/00/443236400.db2.gz TWBSYFOQRICCCH-HUUCEWRRSA-N 2 1 338.496 1.711 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC000269124278 443205467 /nfs/dbraw/zinc/20/54/67/443205467.db2.gz UYCGRMDTOWTJLS-QZTJIDSGSA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000269124278 443205471 /nfs/dbraw/zinc/20/54/71/443205471.db2.gz UYCGRMDTOWTJLS-QZTJIDSGSA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000269124278 443205473 /nfs/dbraw/zinc/20/54/73/443205473.db2.gz UYCGRMDTOWTJLS-QZTJIDSGSA-N 2 1 333.476 1.326 20 0 EDADMP C[C@@H]1COCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000359979617 319115008 /nfs/dbraw/zinc/11/50/08/319115008.db2.gz ULLNESLDNFUYDS-KRWDZBQOSA-N 2 1 345.487 1.867 20 0 EDADMP C[C@@H]1COCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000359979617 319115010 /nfs/dbraw/zinc/11/50/10/319115010.db2.gz ULLNESLDNFUYDS-KRWDZBQOSA-N 2 1 345.487 1.867 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000382643016 319124325 /nfs/dbraw/zinc/12/43/25/319124325.db2.gz GEQMCKUCJARFKT-AZUAARDMSA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000382643016 319124326 /nfs/dbraw/zinc/12/43/26/319124326.db2.gz GEQMCKUCJARFKT-AZUAARDMSA-N 2 1 349.519 1.522 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000382643016 319124327 /nfs/dbraw/zinc/12/43/27/319124327.db2.gz GEQMCKUCJARFKT-AZUAARDMSA-N 2 1 349.519 1.522 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COC1CC[NH2+]CC1 ZINC000382730478 319124873 /nfs/dbraw/zinc/12/48/73/319124873.db2.gz APMGBYGOQYJHBU-GOSISDBHSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CC3=CCCOC3)cc2)CC1 ZINC000269259740 443255223 /nfs/dbraw/zinc/25/52/23/443255223.db2.gz BMCYQQRVKUPCKD-UHFFFAOYSA-N 2 1 329.444 1.511 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1([NH3+])CCCCC1 ZINC000269260014 443255361 /nfs/dbraw/zinc/25/53/61/443255361.db2.gz LXTZOBFMCUGLGI-MRXNPFEDSA-N 2 1 345.491 1.370 20 0 EDADMP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cn1ccnn1 ZINC000414194013 319319137 /nfs/dbraw/zinc/31/91/37/319319137.db2.gz UHIIBYUHJBVXFL-RDGPPVDQSA-N 2 1 341.459 1.424 20 0 EDADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)o1 ZINC000415129707 319346604 /nfs/dbraw/zinc/34/66/04/319346604.db2.gz PLUMMGJHJYKFTD-CYBMUJFWSA-N 2 1 333.392 1.344 20 0 EDADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)o1 ZINC000415129707 319346607 /nfs/dbraw/zinc/34/66/07/319346607.db2.gz PLUMMGJHJYKFTD-CYBMUJFWSA-N 2 1 333.392 1.344 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCN1Cc1ccccc1 ZINC000415127715 319346992 /nfs/dbraw/zinc/34/69/92/319346992.db2.gz SGNJQERQGOTBBN-IEBWSBKVSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415746360 319369157 /nfs/dbraw/zinc/36/91/57/319369157.db2.gz OQURNDQLPCMIDU-DYVFJYSZSA-N 2 1 344.459 1.210 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000415939511 319383710 /nfs/dbraw/zinc/38/37/10/319383710.db2.gz BYNWHPIYTVCSLC-OAHLLOKOSA-N 2 1 334.464 1.886 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC[N@H+]1C[C@H](C)O ZINC000415972473 319386597 /nfs/dbraw/zinc/38/65/97/319386597.db2.gz MEXNWBPTWYQCOU-YOEHRIQHSA-N 2 1 334.464 1.715 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC[C@@H]1[NH3+] ZINC000269281570 443265486 /nfs/dbraw/zinc/26/54/86/443265486.db2.gz QWXXOHGULKDCOL-HYVNUMGLSA-N 2 1 333.501 1.972 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418681786 319510794 /nfs/dbraw/zinc/51/07/94/319510794.db2.gz VUFCNXIUKRWJRL-WBVHZDCISA-N 2 1 334.464 1.175 20 0 EDADMP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000272623093 443386425 /nfs/dbraw/zinc/38/64/25/443386425.db2.gz YMIXWNHDSYOOBU-HSALFYBXSA-N 3 1 343.515 1.943 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423370439 319768529 /nfs/dbraw/zinc/76/85/29/319768529.db2.gz DHYWKICVEAEWRI-MELADBBJSA-N 2 1 325.478 1.742 20 0 EDADMP CO[C@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000267617991 443515886 /nfs/dbraw/zinc/51/58/86/443515886.db2.gz CRMXAIRCGHBQAQ-IBGZPJMESA-N 2 1 345.487 1.750 20 0 EDADMP CO[C@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000267617991 443515890 /nfs/dbraw/zinc/51/58/90/443515890.db2.gz CRMXAIRCGHBQAQ-IBGZPJMESA-N 2 1 345.487 1.750 20 0 EDADMP CO[C@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000267617991 443515892 /nfs/dbraw/zinc/51/58/92/443515892.db2.gz CRMXAIRCGHBQAQ-IBGZPJMESA-N 2 1 345.487 1.750 20 0 EDADMP CO[C@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000267617991 443515895 /nfs/dbraw/zinc/51/58/95/443515895.db2.gz CRMXAIRCGHBQAQ-IBGZPJMESA-N 2 1 345.487 1.750 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000283170045 443547862 /nfs/dbraw/zinc/54/78/62/443547862.db2.gz PLSWFHWIYOIXHP-CVEARBPZSA-N 2 1 335.448 1.332 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000283170045 443547866 /nfs/dbraw/zinc/54/78/66/443547866.db2.gz PLSWFHWIYOIXHP-CVEARBPZSA-N 2 1 335.448 1.332 20 0 EDADMP C[C@@H](C(=O)N1CCC(OCC[NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000439408312 320047044 /nfs/dbraw/zinc/04/70/44/320047044.db2.gz JUJLQMFVCREKQW-XHSDSOJGSA-N 2 1 325.497 1.817 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCSC1 ZINC000440261606 320066834 /nfs/dbraw/zinc/06/68/34/320066834.db2.gz UIHIEJZICPFEQI-NVXWUHKLSA-N 2 1 325.522 1.947 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNCc1cc(C(F)(F)F)n[nH]1 ZINC000440825714 320081677 /nfs/dbraw/zinc/08/16/77/320081677.db2.gz LDNOSBUEFQFWKG-LBPRGKRZSA-N 2 1 347.385 1.461 20 0 EDADMP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440825714 320081680 /nfs/dbraw/zinc/08/16/80/320081680.db2.gz LDNOSBUEFQFWKG-LBPRGKRZSA-N 2 1 347.385 1.461 20 0 EDADMP COc1cccc([C@H](CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)[NH+](C)C)c1 ZINC000457476855 320327379 /nfs/dbraw/zinc/32/73/79/320327379.db2.gz KTZYOLOHZIMMQJ-RYQLBKOJSA-N 2 1 346.475 1.643 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000457751324 320335120 /nfs/dbraw/zinc/33/51/20/320335120.db2.gz WMQZMXPBLPPVMC-IRXDYDNUSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000457751324 320335121 /nfs/dbraw/zinc/33/51/21/320335121.db2.gz WMQZMXPBLPPVMC-IRXDYDNUSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000457751324 320335122 /nfs/dbraw/zinc/33/51/22/320335122.db2.gz WMQZMXPBLPPVMC-IRXDYDNUSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000457751324 320335123 /nfs/dbraw/zinc/33/51/23/320335123.db2.gz WMQZMXPBLPPVMC-IRXDYDNUSA-N 2 1 340.512 1.349 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000286371465 443700249 /nfs/dbraw/zinc/70/02/49/443700249.db2.gz MRZKEVKZJHSLHT-UHFFFAOYSA-N 2 1 349.479 1.079 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000286371465 443700251 /nfs/dbraw/zinc/70/02/51/443700251.db2.gz MRZKEVKZJHSLHT-UHFFFAOYSA-N 2 1 349.479 1.079 20 0 EDADMP CNC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000298562586 443799918 /nfs/dbraw/zinc/79/99/18/443799918.db2.gz PPLNMTSZJJIWJM-MRXNPFEDSA-N 2 1 346.475 1.722 20 0 EDADMP CNC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000298562586 443799923 /nfs/dbraw/zinc/79/99/23/443799923.db2.gz PPLNMTSZJJIWJM-MRXNPFEDSA-N 2 1 346.475 1.722 20 0 EDADMP CC(C)[C@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000276692140 443793236 /nfs/dbraw/zinc/79/32/36/443793236.db2.gz UVWSTVSNGIEOFX-IBGZPJMESA-N 2 1 345.487 1.461 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2cncn2C)CC1 ZINC000292067420 443775535 /nfs/dbraw/zinc/77/55/35/443775535.db2.gz SODBDSXZBMQNFG-UHFFFAOYSA-N 2 1 329.404 1.877 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000281263478 443862755 /nfs/dbraw/zinc/86/27/55/443862755.db2.gz HNWGZFBSQYQBCH-GOSISDBHSA-N 2 1 336.476 1.990 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281263478 443862757 /nfs/dbraw/zinc/86/27/57/443862757.db2.gz HNWGZFBSQYQBCH-GOSISDBHSA-N 2 1 336.476 1.990 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)N2CCn3cncc3C2)[C@@H]1c1ccccc1 ZINC000293068920 443916918 /nfs/dbraw/zinc/91/69/18/443916918.db2.gz SATFFJUVWMQRDA-SJORKVTESA-N 2 1 325.416 1.854 20 0 EDADMP C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281628232 443963138 /nfs/dbraw/zinc/96/31/38/443963138.db2.gz FSJWGLZPNQAFMC-UHFFFAOYSA-N 2 1 340.855 1.408 20 0 EDADMP Cc1nn(C)c2ncc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc12 ZINC000288797683 443986261 /nfs/dbraw/zinc/98/62/61/443986261.db2.gz CUDWOZQJOPOICX-UHFFFAOYSA-N 2 1 332.496 1.592 20 0 EDADMP COC[C@H]1CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000293528161 444044584 /nfs/dbraw/zinc/04/45/84/444044584.db2.gz JFJIXXBGDDOBIK-GOSISDBHSA-N 2 1 331.460 1.619 20 0 EDADMP COC[C@H]1CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000293528161 444044589 /nfs/dbraw/zinc/04/45/89/444044589.db2.gz JFJIXXBGDDOBIK-GOSISDBHSA-N 2 1 331.460 1.619 20 0 EDADMP CCNC(=O)NC(=O)CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281969375 444051306 /nfs/dbraw/zinc/05/13/06/444051306.db2.gz GSSWPKBLMBRGFO-CYBMUJFWSA-N 2 1 333.436 1.245 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000557116174 321000079 /nfs/dbraw/zinc/00/00/79/321000079.db2.gz ORYLHPALXJYPPC-SJLPKXTDSA-N 2 1 338.496 1.128 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)NCC1CC[NH2+]CC1 ZINC000561133025 321034412 /nfs/dbraw/zinc/03/44/12/321034412.db2.gz YMMKFRHXLGJRDQ-UHFFFAOYSA-N 2 1 346.475 1.318 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC000562818992 321079058 /nfs/dbraw/zinc/07/90/58/321079058.db2.gz XEPBCNNDVLZBKS-FVQHAEBGSA-N 2 1 328.460 1.558 20 0 EDADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000562993529 321086459 /nfs/dbraw/zinc/08/64/59/321086459.db2.gz IMXZPTQUVIWTOS-LPHOPBHVSA-N 2 1 347.503 1.683 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccccc2CC[NH2+]C)CC1 ZINC000563212969 321100755 /nfs/dbraw/zinc/10/07/55/321100755.db2.gz HZDVVVAWQAYIGZ-KRWDZBQOSA-N 2 1 346.519 1.452 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000563213049 321100785 /nfs/dbraw/zinc/10/07/85/321100785.db2.gz LVIMOSANNYDBHM-XLIONFOSSA-N 3 1 348.535 1.393 20 0 EDADMP c1cncc(C[NH2+]CCC[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000564305034 321126633 /nfs/dbraw/zinc/12/66/33/321126633.db2.gz JHZTWTZVMGTOGZ-UHFFFAOYSA-N 2 1 326.448 1.741 20 0 EDADMP CC[NH+]1CCC(CNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000564670707 321141086 /nfs/dbraw/zinc/14/10/86/321141086.db2.gz QXJOYVBCEVXWTN-QGZVFWFLSA-N 2 1 340.512 1.374 20 0 EDADMP CC[C@H](C)[N@H+](CCN1CC[NH2+]CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000564989867 321163139 /nfs/dbraw/zinc/16/31/39/321163139.db2.gz VEODRGMISLAVEG-HNNXBMFYSA-N 2 1 343.475 1.841 20 0 EDADMP CC[C@H](C)[N@@H+](CCN1CC[NH2+]CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000564989867 321163141 /nfs/dbraw/zinc/16/31/41/321163141.db2.gz VEODRGMISLAVEG-HNNXBMFYSA-N 2 1 343.475 1.841 20 0 EDADMP CCCCCOc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000565234314 321177812 /nfs/dbraw/zinc/17/78/12/321177812.db2.gz SKFPLWUJGZPINR-AEFFLSMTSA-N 2 1 331.460 1.999 20 0 EDADMP CCCCCOc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000565234314 321177813 /nfs/dbraw/zinc/17/78/13/321177813.db2.gz SKFPLWUJGZPINR-AEFFLSMTSA-N 2 1 331.460 1.999 20 0 EDADMP C[C@H](CNC(=O)CC1(C[NH3+])CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000565597724 321192622 /nfs/dbraw/zinc/19/26/22/321192622.db2.gz XPPZBKLSKVVEST-MRXNPFEDSA-N 2 1 330.476 1.442 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000566009858 321210604 /nfs/dbraw/zinc/21/06/04/321210604.db2.gz OZJBAECWWLKTJI-JKQORVJESA-N 2 1 346.475 1.180 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)CC2 ZINC000567054671 321240661 /nfs/dbraw/zinc/24/06/61/321240661.db2.gz XDNINGALPDJTJS-ZFWWWQNUSA-N 2 1 334.464 1.058 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)CC2 ZINC000567054671 321240662 /nfs/dbraw/zinc/24/06/62/321240662.db2.gz XDNINGALPDJTJS-ZFWWWQNUSA-N 2 1 334.464 1.058 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)CC2 ZINC000567054670 321240736 /nfs/dbraw/zinc/24/07/36/321240736.db2.gz XDNINGALPDJTJS-UKRRQHHQSA-N 2 1 334.464 1.058 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)CC2 ZINC000567054670 321240739 /nfs/dbraw/zinc/24/07/39/321240739.db2.gz XDNINGALPDJTJS-UKRRQHHQSA-N 2 1 334.464 1.058 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000568202704 321280258 /nfs/dbraw/zinc/28/02/58/321280258.db2.gz UCQZYSCGUCHPOF-BPQIPLTHSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000568202704 321280260 /nfs/dbraw/zinc/28/02/60/321280260.db2.gz UCQZYSCGUCHPOF-BPQIPLTHSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000568202704 321280261 /nfs/dbraw/zinc/28/02/61/321280261.db2.gz UCQZYSCGUCHPOF-BPQIPLTHSA-N 2 1 331.460 1.080 20 0 EDADMP O=C(CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)Nc1cccc(Cl)c1 ZINC000569971553 321332754 /nfs/dbraw/zinc/33/27/54/321332754.db2.gz GHZUCKXXARYXHE-OAHLLOKOSA-N 2 1 325.840 1.715 20 0 EDADMP COc1cc(N[C@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000570570909 321348956 /nfs/dbraw/zinc/34/89/56/321348956.db2.gz NXAFCUIJMUEQCJ-INIZCTEOSA-N 2 1 348.491 1.485 20 0 EDADMP COc1cccc(CNC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000570619424 321350516 /nfs/dbraw/zinc/35/05/16/321350516.db2.gz HZPAROXAKYCRTM-AEFFLSMTSA-N 2 1 331.460 1.775 20 0 EDADMP COc1cccc(CNC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000570619424 321350517 /nfs/dbraw/zinc/35/05/17/321350517.db2.gz HZPAROXAKYCRTM-AEFFLSMTSA-N 2 1 331.460 1.775 20 0 EDADMP C[NH2+][C@@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000285906590 444148800 /nfs/dbraw/zinc/14/88/00/444148800.db2.gz DDMKQKWZOQEWOB-MAUKXSAKSA-N 2 1 343.475 1.707 20 0 EDADMP C[NH2+][C@@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000285906590 444148805 /nfs/dbraw/zinc/14/88/05/444148805.db2.gz DDMKQKWZOQEWOB-MAUKXSAKSA-N 2 1 343.475 1.707 20 0 EDADMP C[C@H](C(=O)N1CCO[C@@H]2CC[NH+](C)C[C@@H]21)[N@H+](C)Cc1ccccc1 ZINC000285989809 444170171 /nfs/dbraw/zinc/17/01/71/444170171.db2.gz YHBVQNIKBZTCOV-BPQIPLTHSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@H](C(=O)N1CCO[C@@H]2CC[NH+](C)C[C@@H]21)[N@@H+](C)Cc1ccccc1 ZINC000285989809 444170175 /nfs/dbraw/zinc/17/01/75/444170175.db2.gz YHBVQNIKBZTCOV-BPQIPLTHSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@H](C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21)[NH+](C)Cc1ccccc1 ZINC000285989809 444170179 /nfs/dbraw/zinc/17/01/79/444170179.db2.gz YHBVQNIKBZTCOV-BPQIPLTHSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@H](C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21)[NH+](C)Cc1ccccc1 ZINC000285989809 444170181 /nfs/dbraw/zinc/17/01/81/444170181.db2.gz YHBVQNIKBZTCOV-BPQIPLTHSA-N 2 1 331.460 1.438 20 0 EDADMP CN(CCN1CCOC(C)(C)C1)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000296233120 444214541 /nfs/dbraw/zinc/21/45/41/444214541.db2.gz KSXPWPADTGAREH-UHFFFAOYSA-N 2 1 343.431 1.450 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNc2nc(C(C)C)nc(N(C)C)n2)C1 ZINC000301939990 444197658 /nfs/dbraw/zinc/19/76/58/444197658.db2.gz TZBGVLKHYPSKQJ-CQSZACIVSA-N 2 1 336.484 1.830 20 0 EDADMP COc1cccc([C@@H](C)[NH+]2CCN(C[C@@H](O)C[N@H+](C)C3CC3)CC2)c1 ZINC000289748554 444198421 /nfs/dbraw/zinc/19/84/21/444198421.db2.gz IQYOFCNQDIOMTR-APWZRJJASA-N 2 1 347.503 1.829 20 0 EDADMP COc1cccc([C@@H](C)[NH+]2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)CC2)c1 ZINC000289748554 444198423 /nfs/dbraw/zinc/19/84/23/444198423.db2.gz IQYOFCNQDIOMTR-APWZRJJASA-N 2 1 347.503 1.829 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000577105187 321623145 /nfs/dbraw/zinc/62/31/45/321623145.db2.gz FSYXUYFQJPWFAV-WKILWMFISA-N 2 1 347.507 1.513 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000303271502 444236043 /nfs/dbraw/zinc/23/60/43/444236043.db2.gz JTTVNBGOTXXJOG-BQFCYCMXSA-N 2 1 339.524 1.706 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1sccc1Br ZINC000577839772 321686312 /nfs/dbraw/zinc/68/63/12/321686312.db2.gz YCWRNADZNJDVRS-SECBINFHSA-N 2 1 332.267 1.593 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000290714922 444314375 /nfs/dbraw/zinc/31/43/75/444314375.db2.gz UVBHDSJGEOCJTB-UHFFFAOYSA-N 2 1 346.519 1.896 20 0 EDADMP CN(CCCNC(=O)c1cccc(C[NH+]2CCCC2)c1)CC[NH+](C)C ZINC000290714922 444314377 /nfs/dbraw/zinc/31/43/77/444314377.db2.gz UVBHDSJGEOCJTB-UHFFFAOYSA-N 2 1 346.519 1.896 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC000297654469 444314416 /nfs/dbraw/zinc/31/44/16/444314416.db2.gz VVNDINCTRIYARX-WBVHZDCISA-N 2 1 327.432 1.960 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)CC(C)(C)O)CC1 ZINC000305794549 444281018 /nfs/dbraw/zinc/28/10/18/444281018.db2.gz UZDWJUGYTWDVCJ-UHFFFAOYSA-N 2 1 347.503 1.860 20 0 EDADMP C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000305834722 444282746 /nfs/dbraw/zinc/28/27/46/444282746.db2.gz WFXRQYGWCJODHK-MPGHIAIKSA-N 2 1 340.512 1.251 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]([C@@H](C)O)C2)CC1 ZINC000305887974 444284839 /nfs/dbraw/zinc/28/48/39/444284839.db2.gz ZGIILLNPKLXHKW-IEBWSBKVSA-N 2 1 345.487 1.342 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)CC1 ZINC000305887974 444284840 /nfs/dbraw/zinc/28/48/40/444284840.db2.gz ZGIILLNPKLXHKW-IEBWSBKVSA-N 2 1 345.487 1.342 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000310851135 444292677 /nfs/dbraw/zinc/29/26/77/444292677.db2.gz OLABSKSGTLRVBE-UYAOXDASSA-N 2 1 345.487 1.641 20 0 EDADMP O=c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc2ccc(Cl)cn12 ZINC000323759718 444346018 /nfs/dbraw/zinc/34/60/18/444346018.db2.gz AAIKTRWEQBBLRG-BETUJISGSA-N 2 1 332.835 1.779 20 0 EDADMP C[N@@H+](CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CCSC1 ZINC000339980044 444347146 /nfs/dbraw/zinc/34/71/46/444347146.db2.gz ZPCHVWPIQNZJAC-HOCLYGCPSA-N 2 1 341.521 1.041 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000578489275 321781670 /nfs/dbraw/zinc/78/16/70/321781670.db2.gz PFVAKOOCODYUPS-XIRDDKMYSA-N 2 1 338.496 1.399 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000340517611 444421829 /nfs/dbraw/zinc/42/18/29/444421829.db2.gz DSNVRRCPFVUWQM-CGTJXYLNSA-N 2 1 335.492 1.476 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000340517617 444422393 /nfs/dbraw/zinc/42/23/93/444422393.db2.gz DSNVRRCPFVUWQM-NXHRZFHOSA-N 2 1 335.492 1.476 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CC[C@@H](C)O)CC2)CC1 ZINC000580228325 322026091 /nfs/dbraw/zinc/02/60/91/322026091.db2.gz ZORUMDKTYDOUNF-OAHLLOKOSA-N 2 1 325.497 1.412 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CC[C@H](C)O)CC2)CC1 ZINC000580228324 322026241 /nfs/dbraw/zinc/02/62/41/322026241.db2.gz ZORUMDKTYDOUNF-HNNXBMFYSA-N 2 1 325.497 1.412 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000580291390 322031691 /nfs/dbraw/zinc/03/16/91/322031691.db2.gz OIOMGRJIYBLKAO-UHFFFAOYSA-N 2 1 332.448 1.864 20 0 EDADMP Cn1ccnc1[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](C)C1)C(F)(F)F ZINC000580568261 322069307 /nfs/dbraw/zinc/06/93/07/322069307.db2.gz AXDAOADXPUBLJQ-VXGBXAGGSA-N 2 1 332.370 1.914 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@H]3OC)CC2)CC1 ZINC000580724684 322088323 /nfs/dbraw/zinc/08/83/23/322088323.db2.gz HQCZUWQGKYJVBH-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000581306151 322161821 /nfs/dbraw/zinc/16/18/21/322161821.db2.gz SGBXBMLHFHAVML-SFHVURJKSA-N 2 1 349.519 1.659 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000581478099 322181825 /nfs/dbraw/zinc/18/18/25/322181825.db2.gz DRRTZMXTPCYCEB-BPQIPLTHSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2([NH3+])CCCCCC2)[C@H](C)C1 ZINC000581478364 322182086 /nfs/dbraw/zinc/18/20/86/322182086.db2.gz GWSGYNCQEGWQBU-CABCVRRESA-N 2 1 326.485 1.135 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000581947012 322236857 /nfs/dbraw/zinc/23/68/57/322236857.db2.gz JWKVSLGPBCJFJE-OALUTQOASA-N 2 1 341.455 1.856 20 0 EDADMP COC(=O)[C@](C)(O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000343709103 444535216 /nfs/dbraw/zinc/53/52/16/444535216.db2.gz CCEAXPRAAJBMTC-GOSISDBHSA-N 2 1 335.448 1.544 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C[C@H]21 ZINC000342129745 444524289 /nfs/dbraw/zinc/52/42/89/444524289.db2.gz HHIGVMYEQBKXBU-XJFOESAGSA-N 2 1 333.398 1.847 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000343797168 444598546 /nfs/dbraw/zinc/59/85/46/444598546.db2.gz LJRVOQPNPXUANH-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000343797168 444598551 /nfs/dbraw/zinc/59/85/51/444598551.db2.gz LJRVOQPNPXUANH-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000343797168 444598554 /nfs/dbraw/zinc/59/85/54/444598554.db2.gz LJRVOQPNPXUANH-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP CN(C(=O)[C@H]1CC[NH2+]CC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000343802119 444601499 /nfs/dbraw/zinc/60/14/99/444601499.db2.gz SILGMYZCVFBCOF-JKSUJKDBSA-N 2 1 337.414 1.964 20 0 EDADMP CN(C(=O)[C@H]1CC[NH2+]CC1(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000343802119 444601504 /nfs/dbraw/zinc/60/15/04/444601504.db2.gz SILGMYZCVFBCOF-JKSUJKDBSA-N 2 1 337.414 1.964 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000338282414 444609678 /nfs/dbraw/zinc/60/96/78/444609678.db2.gz XPFXUCJPRLBYLO-IAGOWNOFSA-N 2 1 335.423 1.098 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000338282414 444609683 /nfs/dbraw/zinc/60/96/83/444609683.db2.gz XPFXUCJPRLBYLO-IAGOWNOFSA-N 2 1 335.423 1.098 20 0 EDADMP CN1CC[C@H](NC(=O)NCCN2CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000343825593 444613701 /nfs/dbraw/zinc/61/37/01/444613701.db2.gz LPZOLGAEFNIQTG-HOTGVXAUSA-N 2 1 338.402 1.715 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000341000323 444624532 /nfs/dbraw/zinc/62/45/32/444624532.db2.gz YWMYUDCXOAAEAZ-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000341000323 444624538 /nfs/dbraw/zinc/62/45/38/444624538.db2.gz YWMYUDCXOAAEAZ-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000341000323 444624543 /nfs/dbraw/zinc/62/45/43/444624543.db2.gz YWMYUDCXOAAEAZ-RTBURBONSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)[C@H]2C1 ZINC000333306139 444655342 /nfs/dbraw/zinc/65/53/42/444655342.db2.gz KYCQTUXCSVDBFT-IFIJOSMWSA-N 2 1 329.448 1.456 20 0 EDADMP CCC1(CC)[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)[C@H]1OC ZINC000338382562 444664885 /nfs/dbraw/zinc/66/48/85/444664885.db2.gz XIWKEJPJRRHLHO-DJIMGWMZSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)N1CCC[C@H]([N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000343938359 444680712 /nfs/dbraw/zinc/68/07/12/444680712.db2.gz QFLAQANUAPEGDF-SQNIBIBYSA-N 2 1 336.524 1.344 20 0 EDADMP CC(C)N1CCC[C@H]([N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000343938359 444680714 /nfs/dbraw/zinc/68/07/14/444680714.db2.gz QFLAQANUAPEGDF-SQNIBIBYSA-N 2 1 336.524 1.344 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000342349058 444646252 /nfs/dbraw/zinc/64/62/52/444646252.db2.gz QKRSJIOTSUPBGW-QAPCUYQASA-N 2 1 345.491 1.638 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)C2)C1 ZINC000333623822 444686606 /nfs/dbraw/zinc/68/66/06/444686606.db2.gz ZYBOOPVOCPVTBF-KAPMFFAGSA-N 2 1 346.519 1.877 20 0 EDADMP CN(CCC[N@@H+](C)CCc1ccc2c(c1)OCCO2)CC[NH+](C)C ZINC000344028204 444738073 /nfs/dbraw/zinc/73/80/73/444738073.db2.gz MIRDTBONLPJFHE-UHFFFAOYSA-N 2 1 335.492 1.816 20 0 EDADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344033803 444741766 /nfs/dbraw/zinc/74/17/66/444741766.db2.gz QRSIPGNAYCNFMN-KRWDZBQOSA-N 2 1 340.556 1.981 20 0 EDADMP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344045029 444747470 /nfs/dbraw/zinc/74/74/70/444747470.db2.gz XZPIARMXNASZQN-KSZLIROESA-N 2 1 340.556 1.695 20 0 EDADMP O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000341274041 444757905 /nfs/dbraw/zinc/75/79/05/444757905.db2.gz LFCNAYXXPPXCLJ-QGZVFWFLSA-N 2 1 331.464 1.479 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)[nH+]1 ZINC000342626212 444785020 /nfs/dbraw/zinc/78/50/20/444785020.db2.gz AKYYZVIGXHMMFC-MRXNPFEDSA-N 2 1 343.475 1.895 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)[nH+]1 ZINC000342626212 444785021 /nfs/dbraw/zinc/78/50/21/444785021.db2.gz AKYYZVIGXHMMFC-MRXNPFEDSA-N 2 1 343.475 1.895 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342695795 444819684 /nfs/dbraw/zinc/81/96/84/444819684.db2.gz QADSAUXYWBTWDD-QLFBSQMISA-N 2 1 327.469 1.141 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000336878483 444825021 /nfs/dbraw/zinc/82/50/21/444825021.db2.gz FQAVWYNPXYKQHH-YKTARERQSA-N 2 1 337.508 1.900 20 0 EDADMP C[C@H]1[C@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCC[N@H+]1C ZINC000344235391 444854946 /nfs/dbraw/zinc/85/49/46/444854946.db2.gz KWWWOJVMPHZJEY-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCC[N@H+](C)[C@@H]3C)CC2)c1 ZINC000344252046 444863954 /nfs/dbraw/zinc/86/39/54/444863954.db2.gz MWMMRZRQROUECI-HZPDHXFCSA-N 2 1 331.464 1.704 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC000344252046 444863955 /nfs/dbraw/zinc/86/39/55/444863955.db2.gz MWMMRZRQROUECI-HZPDHXFCSA-N 2 1 331.464 1.704 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000338843929 444884291 /nfs/dbraw/zinc/88/42/91/444884291.db2.gz OLNMZEXLJVZNSE-UHFFFAOYSA-N 2 1 328.460 1.913 20 0 EDADMP O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000342954416 444963978 /nfs/dbraw/zinc/96/39/78/444963978.db2.gz BWMAGPGVWVJHCV-RBUKOAKNSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000342954416 444963983 /nfs/dbraw/zinc/96/39/83/444963983.db2.gz BWMAGPGVWVJHCV-RBUKOAKNSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NCCCC[NH+]1CCC[C@H]1CO)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000342954416 444963988 /nfs/dbraw/zinc/96/39/88/444963988.db2.gz BWMAGPGVWVJHCV-RBUKOAKNSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NCCCC[NH+]1CCC[C@H]1CO)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000342954416 444963993 /nfs/dbraw/zinc/96/39/93/444963993.db2.gz BWMAGPGVWVJHCV-RBUKOAKNSA-N 2 1 345.487 1.614 20 0 EDADMP CCc1nc2ccccc2n1CC(=O)N(C)C[C@H]1C[C@H](OC)C[N@H+]1C ZINC000344496683 445011650 /nfs/dbraw/zinc/01/16/50/445011650.db2.gz LTKAMTJFFLUAFX-CABCVRRESA-N 2 1 344.459 1.776 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000341917881 445072234 /nfs/dbraw/zinc/07/22/34/445072234.db2.gz FPUSNUJTALZGSK-LMMKCTJWSA-N 2 1 345.487 1.906 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000339347594 445132863 /nfs/dbraw/zinc/13/28/63/445132863.db2.gz CDNPBZYISQFHEW-CJNGLKHVSA-N 2 1 339.277 1.963 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000339347594 445132864 /nfs/dbraw/zinc/13/28/64/445132864.db2.gz CDNPBZYISQFHEW-CJNGLKHVSA-N 2 1 339.277 1.963 20 0 EDADMP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342087001 445164403 /nfs/dbraw/zinc/16/44/03/445164403.db2.gz OXCYTYCPGDNMJH-ZJIFWQFVSA-N 2 1 334.464 2.540 20 0 EDADMP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342087001 445164405 /nfs/dbraw/zinc/16/44/05/445164405.db2.gz OXCYTYCPGDNMJH-ZJIFWQFVSA-N 2 1 334.464 2.540 20 0 EDADMP COc1cccc(CNC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342095313 445169972 /nfs/dbraw/zinc/16/99/72/445169972.db2.gz GAVMOFYLSKXOTJ-OXXUSNJHSA-N 2 1 331.460 1.759 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NC(=O)NCc3ccccc3)C[C@@H]21 ZINC000342111274 445177745 /nfs/dbraw/zinc/17/77/45/445177745.db2.gz UJINBJZEHOHRDO-HRCADAONSA-N 2 1 330.432 1.072 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NC(=O)NCc3ccccc3)C[C@@H]21 ZINC000342111274 445177748 /nfs/dbraw/zinc/17/77/48/445177748.db2.gz UJINBJZEHOHRDO-HRCADAONSA-N 2 1 330.432 1.072 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000346860948 445226392 /nfs/dbraw/zinc/22/63/92/445226392.db2.gz CZZGIZNEIXJJIP-GASCZTMLSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000346860948 445226394 /nfs/dbraw/zinc/22/63/94/445226394.db2.gz CZZGIZNEIXJJIP-GASCZTMLSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000343541590 445240859 /nfs/dbraw/zinc/24/08/59/445240859.db2.gz HIAPSNANVIUBOY-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000343541590 445240860 /nfs/dbraw/zinc/24/08/60/445240860.db2.gz HIAPSNANVIUBOY-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000348363227 445267274 /nfs/dbraw/zinc/26/72/74/445267274.db2.gz DGPYCBCQKRQOAA-UHFFFAOYSA-N 2 1 346.475 1.677 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000348535462 445317244 /nfs/dbraw/zinc/31/72/44/445317244.db2.gz UVTZJQGOJJXVPO-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000348535462 445317246 /nfs/dbraw/zinc/31/72/46/445317246.db2.gz UVTZJQGOJJXVPO-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000348535462 445317248 /nfs/dbraw/zinc/31/72/48/445317248.db2.gz UVTZJQGOJJXVPO-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000348108160 445271175 /nfs/dbraw/zinc/27/11/75/445271175.db2.gz JNVLPRWAZKZVQG-QBPKDAKJSA-N 2 1 338.496 1.364 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000351701406 445279162 /nfs/dbraw/zinc/27/91/62/445279162.db2.gz XFLAXGIJAATZEV-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000351857016 445344653 /nfs/dbraw/zinc/34/46/53/445344653.db2.gz ANBTUFZYACTRNU-YPMHNXCESA-N 2 1 345.365 1.871 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000351857016 445344655 /nfs/dbraw/zinc/34/46/55/445344655.db2.gz ANBTUFZYACTRNU-YPMHNXCESA-N 2 1 345.365 1.871 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351867487 445347897 /nfs/dbraw/zinc/34/78/97/445347897.db2.gz YOPBVYIYGALLQG-HOCLYGCPSA-N 2 1 349.475 1.721 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351867487 445347899 /nfs/dbraw/zinc/34/78/99/445347899.db2.gz YOPBVYIYGALLQG-HOCLYGCPSA-N 2 1 349.475 1.721 20 0 EDADMP COC1(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)CCCCC1 ZINC000359741009 445401508 /nfs/dbraw/zinc/40/15/08/445401508.db2.gz FUFJEGVXPLKDED-UHFFFAOYSA-N 2 1 325.497 1.868 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359789393 445429783 /nfs/dbraw/zinc/42/97/83/445429783.db2.gz HEMMUGMYYHCHOK-SIRPWMCASA-N 2 1 325.497 1.529 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359789393 445429784 /nfs/dbraw/zinc/42/97/84/445429784.db2.gz HEMMUGMYYHCHOK-SIRPWMCASA-N 2 1 325.497 1.529 20 0 EDADMP Cc1[nH+]c(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c2n1CCCC2 ZINC000362643902 445476930 /nfs/dbraw/zinc/47/69/30/445476930.db2.gz YQCOPDPVWZAJMQ-HNNXBMFYSA-N 2 1 329.448 1.684 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[NH2+]CC[C@@H]2CCOC2)cc[nH+]1 ZINC000354934904 445435684 /nfs/dbraw/zinc/43/56/84/445435684.db2.gz NQTLKWYTAREZEV-RBSFLKMASA-N 2 1 337.443 1.476 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N3C[C@@H](C)[C@H]([NH+](C)C)C3)CC2)[nH+]c1 ZINC000362703852 445509516 /nfs/dbraw/zinc/50/95/16/445509516.db2.gz MUHCRJQKFAQEDH-NVXWUHKLSA-N 2 1 345.491 1.950 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000357235385 445497651 /nfs/dbraw/zinc/49/76/51/445497651.db2.gz CTYKBYDILQWTSB-HOTGVXAUSA-N 2 1 330.476 1.169 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000360085045 445558175 /nfs/dbraw/zinc/55/81/75/445558175.db2.gz OBAJYNGRZGPCPS-BDXSIMOUSA-N 2 1 339.524 1.920 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000360085045 445558179 /nfs/dbraw/zinc/55/81/79/445558179.db2.gz OBAJYNGRZGPCPS-BDXSIMOUSA-N 2 1 339.524 1.920 20 0 EDADMP CCCCNC(=O)CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000353339157 445589773 /nfs/dbraw/zinc/58/97/73/445589773.db2.gz PKGPMYYELJUMKZ-JWTNVVGKSA-N 2 1 336.524 1.536 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000358171557 445609747 /nfs/dbraw/zinc/60/97/47/445609747.db2.gz UCFMIVKJUZSSPU-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000358565097 445653584 /nfs/dbraw/zinc/65/35/84/445653584.db2.gz IBWUBORPILNDOA-IRXDYDNUSA-N 2 1 339.528 1.138 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000358565097 445653588 /nfs/dbraw/zinc/65/35/88/445653588.db2.gz IBWUBORPILNDOA-IRXDYDNUSA-N 2 1 339.528 1.138 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000358565097 445653594 /nfs/dbraw/zinc/65/35/94/445653594.db2.gz IBWUBORPILNDOA-IRXDYDNUSA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCCN(C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)CC[NH+](C)C ZINC000358565097 445653598 /nfs/dbraw/zinc/65/35/98/445653598.db2.gz IBWUBORPILNDOA-IRXDYDNUSA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCCN(C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)CC[NH+](C)C ZINC000358565097 445653603 /nfs/dbraw/zinc/65/36/03/445653603.db2.gz IBWUBORPILNDOA-IRXDYDNUSA-N 2 1 339.528 1.138 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000349750664 445665260 /nfs/dbraw/zinc/66/52/60/445665260.db2.gz WZEQGGVFXHAAPR-IAGOWNOFSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000349750664 445665264 /nfs/dbraw/zinc/66/52/64/445665264.db2.gz WZEQGGVFXHAAPR-IAGOWNOFSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000349750664 445665270 /nfs/dbraw/zinc/66/52/70/445665270.db2.gz WZEQGGVFXHAAPR-IAGOWNOFSA-N 2 1 338.496 1.221 20 0 EDADMP CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000353576328 445663476 /nfs/dbraw/zinc/66/34/76/445663476.db2.gz FPBAIGUQXOEAIA-WBVHZDCISA-N 2 1 346.475 1.840 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]([NH3+])CC(C)C)CC2)cn1 ZINC000353634993 445684274 /nfs/dbraw/zinc/68/42/74/445684274.db2.gz IYCVCAGQWJYYMT-QGZVFWFLSA-N 2 1 335.496 1.701 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]([NH3+])CC(C)C)CC2)cn1 ZINC000353634993 445684277 /nfs/dbraw/zinc/68/42/77/445684277.db2.gz IYCVCAGQWJYYMT-QGZVFWFLSA-N 2 1 335.496 1.701 20 0 EDADMP Cc1cccn2c(C[NH2+]CC(=O)NCC[NH+]3CCCCCC3)cnc12 ZINC000353673392 445701381 /nfs/dbraw/zinc/70/13/81/445701381.db2.gz PIDMWYVJTDDBCK-UHFFFAOYSA-N 2 1 343.475 1.725 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360406597 445705977 /nfs/dbraw/zinc/70/59/77/445705977.db2.gz OCHQALVBUOPJQJ-BBWFWOEESA-N 2 1 338.496 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360406597 445705981 /nfs/dbraw/zinc/70/59/81/445705981.db2.gz OCHQALVBUOPJQJ-BBWFWOEESA-N 2 1 338.496 1.080 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360406597 445705984 /nfs/dbraw/zinc/70/59/84/445705984.db2.gz OCHQALVBUOPJQJ-BBWFWOEESA-N 2 1 338.496 1.080 20 0 EDADMP Cc1cc(NC(=O)CN2CCC(CCN3CCOCC3)CC2)n(C)n1 ZINC000363206584 445721022 /nfs/dbraw/zinc/72/10/22/445721022.db2.gz MQPOPSAWAPONSI-UHFFFAOYSA-N 2 1 349.479 1.101 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000358780996 445771366 /nfs/dbraw/zinc/77/13/66/445771366.db2.gz BRABFIHSJBRGBQ-BRWVUGGUSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000363229473 445732428 /nfs/dbraw/zinc/73/24/28/445732428.db2.gz DWZCMVARUGWIHD-KRWDZBQOSA-N 2 1 337.508 1.870 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000353808470 445765515 /nfs/dbraw/zinc/76/55/15/445765515.db2.gz RMELKQQKVXCVIP-SJORKVTESA-N 2 1 333.480 1.089 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000353808470 445765518 /nfs/dbraw/zinc/76/55/18/445765518.db2.gz RMELKQQKVXCVIP-SJORKVTESA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361507321 445793634 /nfs/dbraw/zinc/79/36/34/445793634.db2.gz DHSGQZXFCWJDFA-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361507321 445793636 /nfs/dbraw/zinc/79/36/36/445793636.db2.gz DHSGQZXFCWJDFA-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000350225012 445795909 /nfs/dbraw/zinc/79/59/09/445795909.db2.gz UKULAYADQVQSRG-IAGOWNOFSA-N 2 1 325.497 1.678 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000356453056 445797816 /nfs/dbraw/zinc/79/78/16/445797816.db2.gz NUPADBURPOSMEW-JKSUJKDBSA-N 2 1 340.512 1.070 20 0 EDADMP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000361529421 445805496 /nfs/dbraw/zinc/80/54/96/445805496.db2.gz FBDBSUXYIXCCJX-INIZCTEOSA-N 2 1 343.427 1.652 20 0 EDADMP C[NH+](C)[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)c1cccc(F)c1 ZINC000354065394 445883671 /nfs/dbraw/zinc/88/36/71/445883671.db2.gz NXRYIVZCYRDGES-INIZCTEOSA-N 2 1 345.422 2.167 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[NH+](CCCOC)CC1 ZINC000363556823 445857257 /nfs/dbraw/zinc/85/72/57/445857257.db2.gz FJDWRFQUUNSLGT-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC[N@H+](CCCOC)CC1 ZINC000363556823 445857260 /nfs/dbraw/zinc/85/72/60/445857260.db2.gz FJDWRFQUUNSLGT-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000363556823 445857265 /nfs/dbraw/zinc/85/72/65/445857265.db2.gz FJDWRFQUUNSLGT-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP CC[NH+](CC)CCNC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000369118293 445939048 /nfs/dbraw/zinc/93/90/48/445939048.db2.gz GHGDIRRYMCONLE-INIZCTEOSA-N 2 1 348.495 1.703 20 0 EDADMP Cn1cc(N2CCC[C@@H]([N@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)C2=O)cn1 ZINC000366014807 445963298 /nfs/dbraw/zinc/96/32/98/445963298.db2.gz ZEPJORUKAJMVLQ-GDBMZVCRSA-N 2 1 342.447 1.306 20 0 EDADMP Cn1cc(N2CCC[C@@H]([N@@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)C2=O)cn1 ZINC000366014807 445963301 /nfs/dbraw/zinc/96/33/01/445963301.db2.gz ZEPJORUKAJMVLQ-GDBMZVCRSA-N 2 1 342.447 1.306 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000364981567 445973823 /nfs/dbraw/zinc/97/38/23/445973823.db2.gz KNNIPDSISRPJAK-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000364981567 445973826 /nfs/dbraw/zinc/97/38/26/445973826.db2.gz KNNIPDSISRPJAK-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CCCCOC[C@H](O)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000366108670 446017516 /nfs/dbraw/zinc/01/75/16/446017516.db2.gz MSYOKRZJAQLOBA-ZWKOTPCHSA-N 2 1 327.513 1.264 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)N[C@H]3CCc4[nH]cnc4C3)CC2)CCO1 ZINC000366115194 446022530 /nfs/dbraw/zinc/02/25/30/446022530.db2.gz IIQHIZQZVHNFNL-KBPBESRZSA-N 2 1 347.463 1.162 20 0 EDADMP C[C@H]1C[N@@H+](C2CCN(C(=O)N[C@H]3CCc4nc[nH]c4C3)CC2)CCO1 ZINC000366115194 446022534 /nfs/dbraw/zinc/02/25/34/446022534.db2.gz IIQHIZQZVHNFNL-KBPBESRZSA-N 2 1 347.463 1.162 20 0 EDADMP C[N@@H+](CCO[C@H]1CCCCO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373119435 446041498 /nfs/dbraw/zinc/04/14/98/446041498.db2.gz YQDRUCYJSGNWDF-ROUUACIJSA-N 2 1 325.497 1.630 20 0 EDADMP CC(C)[NH2+]CCC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583497778 326084597 /nfs/dbraw/zinc/08/45/97/326084597.db2.gz HZIKOIAQESFTCD-SJLPKXTDSA-N 2 1 333.476 1.780 20 0 EDADMP CC(C)[NH2+]CCC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583497778 326084599 /nfs/dbraw/zinc/08/45/99/326084599.db2.gz HZIKOIAQESFTCD-SJLPKXTDSA-N 2 1 333.476 1.780 20 0 EDADMP Cn1cnc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000356874461 446088305 /nfs/dbraw/zinc/08/83/05/446088305.db2.gz QGXNZCRGWPIHEK-RCCFBDPRSA-N 2 1 325.460 1.858 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351487832 446089304 /nfs/dbraw/zinc/08/93/04/446089304.db2.gz CUQUUJBTVYPMGA-YIDVYQOGSA-N 2 1 345.443 1.000 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCc3cnn(-c4ccccc4)c3)C[C@@H]12 ZINC000351472207 446073296 /nfs/dbraw/zinc/07/32/96/446073296.db2.gz AFTMREIZATXTQE-KBAYOESNSA-N 2 1 339.443 1.158 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCc3cnn(-c4ccccc4)c3)C[C@@H]12 ZINC000351472207 446073302 /nfs/dbraw/zinc/07/33/02/446073302.db2.gz AFTMREIZATXTQE-KBAYOESNSA-N 2 1 339.443 1.158 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)C[C@H]12 ZINC000351482416 446081933 /nfs/dbraw/zinc/08/19/33/446081933.db2.gz ZOJZNYYFXZBVJD-BZZMCLGOSA-N 2 1 347.434 1.395 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)C[C@H]12 ZINC000351482416 446081938 /nfs/dbraw/zinc/08/19/38/446081938.db2.gz ZOJZNYYFXZBVJD-BZZMCLGOSA-N 2 1 347.434 1.395 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351487832 446089311 /nfs/dbraw/zinc/08/93/11/446089311.db2.gz CUQUUJBTVYPMGA-YIDVYQOGSA-N 2 1 345.443 1.000 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC000356890056 446097922 /nfs/dbraw/zinc/09/79/22/446097922.db2.gz BPGAYSJRTDGEGY-IKGGRYGDSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC000356890056 446097929 /nfs/dbraw/zinc/09/79/29/446097929.db2.gz BPGAYSJRTDGEGY-IKGGRYGDSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC000356890056 446097935 /nfs/dbraw/zinc/09/79/35/446097935.db2.gz BPGAYSJRTDGEGY-IKGGRYGDSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC000356890056 446097939 /nfs/dbraw/zinc/09/79/39/446097939.db2.gz BPGAYSJRTDGEGY-IKGGRYGDSA-N 2 1 337.508 1.555 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCc3ccc(OC(F)F)cc3)C[C@H]12 ZINC000351494546 446099011 /nfs/dbraw/zinc/09/90/11/446099011.db2.gz OFPJKYNXLXYZSG-AEGPPILISA-N 2 1 339.386 1.573 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCc3ccc(OC(F)F)cc3)C[C@H]12 ZINC000351494546 446099015 /nfs/dbraw/zinc/09/90/15/446099015.db2.gz OFPJKYNXLXYZSG-AEGPPILISA-N 2 1 339.386 1.573 20 0 EDADMP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000373235662 446112342 /nfs/dbraw/zinc/11/23/42/446112342.db2.gz UURNWSVPDSIXQO-LUKYLMHMSA-N 2 1 339.480 1.696 20 0 EDADMP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000373235662 446112351 /nfs/dbraw/zinc/11/23/51/446112351.db2.gz UURNWSVPDSIXQO-LUKYLMHMSA-N 2 1 339.480 1.696 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000359280169 446115470 /nfs/dbraw/zinc/11/54/70/446115470.db2.gz WPRKSUPWQUOFNF-JYJNAYRXSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000359280169 446115477 /nfs/dbraw/zinc/11/54/77/446115477.db2.gz WPRKSUPWQUOFNF-JYJNAYRXSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000359280169 446115483 /nfs/dbraw/zinc/11/54/83/446115483.db2.gz WPRKSUPWQUOFNF-JYJNAYRXSA-N 2 1 340.512 1.070 20 0 EDADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000359338536 446158821 /nfs/dbraw/zinc/15/88/21/446158821.db2.gz BXVMFYAYPRBEKL-RCCFBDPRSA-N 2 1 337.508 1.963 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)CC2)[nH+]c1 ZINC000365354138 446164307 /nfs/dbraw/zinc/16/43/07/446164307.db2.gz JHSXWMMBXDTIOO-RDJZCZTQSA-N 2 1 328.460 1.817 20 0 EDADMP COc1ccc(CC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)nc1 ZINC000365317298 446142675 /nfs/dbraw/zinc/14/26/75/446142675.db2.gz SZNJMJNUDDBREN-KRWDZBQOSA-N 2 1 346.475 1.260 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C3([NH3+])CCCC3)CC2)CC1 ZINC000366325275 446152151 /nfs/dbraw/zinc/15/21/51/446152151.db2.gz PFNOSNAOSDIXOS-UHFFFAOYSA-N 3 1 336.524 1.570 20 0 EDADMP c1cc(N[C@@H]2CCCOC2)nc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]1 ZINC000366678938 446306010 /nfs/dbraw/zinc/30/60/10/446306010.db2.gz HGXOTNFOQZVZNA-QGZVFWFLSA-N 2 1 345.491 2.380 20 0 EDADMP CCc1nc(CN2C[C@@H]3C[NH+](CC[C@@H]4CCCC[N@H+]4C)C[C@H]3C2)no1 ZINC000370503526 446308645 /nfs/dbraw/zinc/30/86/45/446308645.db2.gz UQZHJMIDOGZWJD-ULQDDVLXSA-N 2 1 347.507 1.870 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000362348190 446328543 /nfs/dbraw/zinc/32/85/43/446328543.db2.gz FNQCJXSHMMXSER-GOEBONIOSA-N 2 1 328.526 1.407 20 0 EDADMP C[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417502791 446356569 /nfs/dbraw/zinc/35/65/69/446356569.db2.gz KVBCSYYELRAMFM-FUHWJXTLSA-N 2 1 330.476 1.554 20 0 EDADMP CCS(=O)(=O)CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376176523 446368451 /nfs/dbraw/zinc/36/84/51/446368451.db2.gz BUGQIOVXUDTPQN-UHFFFAOYSA-N 2 1 325.478 1.665 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000417668597 446369304 /nfs/dbraw/zinc/36/93/04/446369304.db2.gz JTOZXSDMIXTVNF-BZUAXINKSA-N 2 1 328.501 1.421 20 0 EDADMP CC[C@@H](NC(=O)N(C)CC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417901044 446381033 /nfs/dbraw/zinc/38/10/33/446381033.db2.gz VQLSJNLATIOYFA-SJORKVTESA-N 2 1 334.464 1.266 20 0 EDADMP CC[C@@H](NC(=O)N(C)CC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417901044 446381040 /nfs/dbraw/zinc/38/10/40/446381040.db2.gz VQLSJNLATIOYFA-SJORKVTESA-N 2 1 334.464 1.266 20 0 EDADMP CC[C@H](NC(=O)NC[C@@H](C)[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417903377 446382527 /nfs/dbraw/zinc/38/25/27/446382527.db2.gz ZIKGJNKIEHRFDZ-NJAFHUGGSA-N 2 1 348.491 1.573 20 0 EDADMP CC[C@H](NC(=O)NC[C@@H](C)[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417903377 446382531 /nfs/dbraw/zinc/38/25/31/446382531.db2.gz ZIKGJNKIEHRFDZ-NJAFHUGGSA-N 2 1 348.491 1.573 20 0 EDADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC(F)(F)C[NH3+])CC1 ZINC000417909274 446383735 /nfs/dbraw/zinc/38/37/35/446383735.db2.gz CFSRXQXZHVXFDT-LBPRGKRZSA-N 2 1 341.406 1.500 20 0 EDADMP CCNc1nc(N2CCC[N@@H+]3CCC[C@H]3C2)nc(NC(C)(C)C)[nH+]1 ZINC000376228930 446390748 /nfs/dbraw/zinc/39/07/48/446390748.db2.gz MOCLOIDWYVCRQD-ZDUSSCGKSA-N 2 1 333.484 1.610 20 0 EDADMP CCNc1nc(N2CCC[N@H+]3CCC[C@H]3C2)nc(NC(C)(C)C)[nH+]1 ZINC000376228930 446390749 /nfs/dbraw/zinc/39/07/49/446390749.db2.gz MOCLOIDWYVCRQD-ZDUSSCGKSA-N 2 1 333.484 1.610 20 0 EDADMP CC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423168660 446446454 /nfs/dbraw/zinc/44/64/54/446446454.db2.gz HOPSCDUWAOLRBV-ROUUACIJSA-N 3 1 338.540 1.293 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)C[NH2+]C)[C@@H]1c1ccccc1 ZINC000418182104 446449217 /nfs/dbraw/zinc/44/92/17/446449217.db2.gz MDGURYSGULVRGO-NJAFHUGGSA-N 2 1 348.491 1.603 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)C[NH2+]C)[C@@H]1c1ccccc1 ZINC000418182104 446449223 /nfs/dbraw/zinc/44/92/23/446449223.db2.gz MDGURYSGULVRGO-NJAFHUGGSA-N 2 1 348.491 1.603 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)cn2)CC1 ZINC000370720410 446402612 /nfs/dbraw/zinc/40/26/12/446402612.db2.gz NUHJCABZSYLLNM-IAGOWNOFSA-N 2 1 331.464 1.087 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H]([C@@H]4CCOC4)C3)cn2)CC1 ZINC000370720410 446402617 /nfs/dbraw/zinc/40/26/17/446402617.db2.gz NUHJCABZSYLLNM-IAGOWNOFSA-N 2 1 331.464 1.087 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417996159 446410289 /nfs/dbraw/zinc/41/02/89/446410289.db2.gz QOEGOABRBOPZOB-YLFCFFPRSA-N 2 1 334.508 1.890 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418039675 446422508 /nfs/dbraw/zinc/42/25/08/446422508.db2.gz USCXWEAEFFLGDO-ROUUACIJSA-N 2 1 348.491 1.512 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1(c2ccccn2)CCC1 ZINC000367002104 446456270 /nfs/dbraw/zinc/45/62/70/446456270.db2.gz IPIOMRLOEAIBIY-UHFFFAOYSA-N 2 1 331.464 1.340 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000418205582 446457710 /nfs/dbraw/zinc/45/77/10/446457710.db2.gz RQOZMYFYVQMRMO-WBVHZDCISA-N 2 1 333.480 1.858 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000418205582 446457714 /nfs/dbraw/zinc/45/77/14/446457714.db2.gz RQOZMYFYVQMRMO-WBVHZDCISA-N 2 1 333.480 1.858 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000420298432 446461330 /nfs/dbraw/zinc/46/13/30/446461330.db2.gz FHBVNGIISXEVBG-QYZOEREBSA-N 2 1 345.487 1.156 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000420309158 446472257 /nfs/dbraw/zinc/47/22/57/446472257.db2.gz OJTODYCAOGZXNM-BSDSXHPESA-N 3 1 330.476 1.075 20 0 EDADMP CC[C@@H]1CN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC[N@H+]1CCOC ZINC000420309753 446473389 /nfs/dbraw/zinc/47/33/89/446473389.db2.gz FEYFFRHEMWDEJT-ZWKOTPCHSA-N 2 1 335.492 1.780 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000420312036 446475414 /nfs/dbraw/zinc/47/54/14/446475414.db2.gz HPYZLNNLXJJAMV-FUHWJXTLSA-N 2 1 347.503 1.923 20 0 EDADMP C[NH2+]CCCNC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000418280673 446483624 /nfs/dbraw/zinc/48/36/24/446483624.db2.gz SGJJKYSFNTYLBQ-UHFFFAOYSA-N 2 1 347.507 1.055 20 0 EDADMP FC(F)(F)COCCC[NH+]1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420322244 446487759 /nfs/dbraw/zinc/48/77/59/446487759.db2.gz SGMFOYYWFOJOSA-OAHLLOKOSA-N 2 1 337.430 1.963 20 0 EDADMP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324185 446489180 /nfs/dbraw/zinc/48/91/80/446489180.db2.gz GXLBFXXVWMJRLH-AEFFLSMTSA-N 2 1 345.487 1.421 20 0 EDADMP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420331607 446501346 /nfs/dbraw/zinc/50/13/46/446501346.db2.gz RAULGZJDUAUDLC-MOPGFXCFSA-N 2 1 345.487 1.771 20 0 EDADMP Cn1c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc2ccccc2c1=O ZINC000420333117 446502342 /nfs/dbraw/zinc/50/23/42/446502342.db2.gz SLAUWRGQKPOKGS-HUUCEWRRSA-N 2 1 326.444 1.755 20 0 EDADMP CC(C)[C@@H](O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000432781076 446504274 /nfs/dbraw/zinc/50/42/74/446504274.db2.gz MPCIHOGEPBHRKK-JZXOWHBKSA-N 2 1 328.497 1.594 20 0 EDADMP CC(C)[C@@H](O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000432781076 446504278 /nfs/dbraw/zinc/50/42/78/446504278.db2.gz MPCIHOGEPBHRKK-JZXOWHBKSA-N 2 1 328.497 1.594 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418343801 446508675 /nfs/dbraw/zinc/50/86/75/446508675.db2.gz JZFKEAKTMGGWHC-JKSUJKDBSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418349480 446508927 /nfs/dbraw/zinc/50/89/27/446508927.db2.gz SDABEBPRFLZQCQ-PKOBYXMFSA-N 2 1 344.503 1.944 20 0 EDADMP COC(=O)c1oc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1C ZINC000367107839 446509766 /nfs/dbraw/zinc/50/97/66/446509766.db2.gz BGQYQJVYOVBGHN-MRXNPFEDSA-N 2 1 349.475 1.834 20 0 EDADMP CC[C@H]1CN(C(=O)c2ccccc2CC[NH2+]C)CC[N@H+]1C[C@@H](C)O ZINC000423383532 446512616 /nfs/dbraw/zinc/51/26/16/446512616.db2.gz JMHLFAAMQWPGJJ-WBVHZDCISA-N 2 1 333.476 1.366 20 0 EDADMP Cc1csc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)n12 ZINC000420343372 446515482 /nfs/dbraw/zinc/51/54/82/446515482.db2.gz QVMMYGWBFAFWHS-ZIAGYGMSSA-N 2 1 332.473 1.886 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000376468296 446515596 /nfs/dbraw/zinc/51/55/96/446515596.db2.gz JWQRBWQUCSIGAE-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000418494750 446565332 /nfs/dbraw/zinc/56/53/32/446565332.db2.gz SPOQNALCROEIMZ-HNNXBMFYSA-N 2 1 348.491 1.959 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000418494750 446565341 /nfs/dbraw/zinc/56/53/41/446565341.db2.gz SPOQNALCROEIMZ-HNNXBMFYSA-N 2 1 348.491 1.959 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423403589 446519250 /nfs/dbraw/zinc/51/92/50/446519250.db2.gz YPOCYBPFNJTGFI-SJORKVTESA-N 2 1 333.476 1.940 20 0 EDADMP CC(C)[C@@H](C[NH3+])C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000433144335 446537035 /nfs/dbraw/zinc/53/70/35/446537035.db2.gz LYQCZSHCZKDKKY-SOLBZPMBSA-N 2 1 339.524 1.955 20 0 EDADMP Cc1ccncc1CCC[N@@H+]1CC[C@H](N(C)Cc2nccc(N)n2)C1 ZINC000367370926 446540087 /nfs/dbraw/zinc/54/00/87/446540087.db2.gz NIRWMYICHCDQAZ-KRWDZBQOSA-N 2 1 340.475 1.901 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000418434188 446542419 /nfs/dbraw/zinc/54/24/19/446542419.db2.gz DWUVAZPNZYSXPH-LSDHHAIUSA-N 2 1 326.485 1.255 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000375057657 446551763 /nfs/dbraw/zinc/55/17/63/446551763.db2.gz GUMOQMCUWXGTSQ-IKGGRYGDSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000375057657 446551769 /nfs/dbraw/zinc/55/17/69/446551769.db2.gz GUMOQMCUWXGTSQ-IKGGRYGDSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000420381856 446556150 /nfs/dbraw/zinc/55/61/50/446556150.db2.gz ZLOMBDWFOUSGHD-JKIFEVAISA-N 2 1 340.489 1.835 20 0 EDADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CO2 ZINC000423505230 446556539 /nfs/dbraw/zinc/55/65/39/446556539.db2.gz GSSZIHDQDIUYLC-LXPRWKDFSA-N 2 1 345.487 1.805 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H](CN)C1CCCCC1)c1ccccc1 ZINC000420379600 446557322 /nfs/dbraw/zinc/55/73/22/446557322.db2.gz XRONQGLLEXSQSS-RTBURBONSA-N 2 1 346.519 1.903 20 0 EDADMP CC(C)[C@H](NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1)c1ccc(F)cc1 ZINC000420399974 446572855 /nfs/dbraw/zinc/57/28/55/446572855.db2.gz CZGLLVSXDWUGQF-KRWDZBQOSA-N 2 1 337.439 1.425 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](CO)c2ccc(F)cc2)CC1 ZINC000411506895 446576052 /nfs/dbraw/zinc/57/60/52/446576052.db2.gz PONXNKKWFPAUFF-KRWDZBQOSA-N 2 1 337.439 1.438 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000433465001 446577218 /nfs/dbraw/zinc/57/72/18/446577218.db2.gz FGDTVOXWZHHOJG-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000433465001 446577223 /nfs/dbraw/zinc/57/72/23/446577223.db2.gz FGDTVOXWZHHOJG-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1C ZINC000433465001 446577229 /nfs/dbraw/zinc/57/72/29/446577229.db2.gz FGDTVOXWZHHOJG-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP Cc1cccc(OCCCNC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420414108 446587684 /nfs/dbraw/zinc/58/76/84/446587684.db2.gz UJHDDGKWXIIFEX-SJORKVTESA-N 2 1 333.476 1.797 20 0 EDADMP Cc1cccc(OCCCNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420414108 446587687 /nfs/dbraw/zinc/58/76/87/446587687.db2.gz UJHDDGKWXIIFEX-SJORKVTESA-N 2 1 333.476 1.797 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)CC3(C[NH3+])CCCCC3)C2)CC1 ZINC000375124212 446594298 /nfs/dbraw/zinc/59/42/98/446594298.db2.gz KAIZTXVDYNIOTN-MRXNPFEDSA-N 2 1 336.524 1.570 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CC3(C[NH3+])CCCCC3)C2)CC1 ZINC000375124212 446594306 /nfs/dbraw/zinc/59/43/06/446594306.db2.gz KAIZTXVDYNIOTN-MRXNPFEDSA-N 2 1 336.524 1.570 20 0 EDADMP Cn1cc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000371086687 446619394 /nfs/dbraw/zinc/61/93/94/446619394.db2.gz AFIJKJFSKDJTEH-UHFFFAOYSA-N 2 1 333.480 1.346 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000418592075 446606481 /nfs/dbraw/zinc/60/64/81/446606481.db2.gz OHJKGQCCTAQFLV-WBVHZDCISA-N 2 1 333.480 1.543 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000418598473 446608220 /nfs/dbraw/zinc/60/82/20/446608220.db2.gz GQLGIUBJVZWEIF-QGZVFWFLSA-N 2 1 347.507 1.448 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@H+](C2CCC2)C1 ZINC000418658134 446637100 /nfs/dbraw/zinc/63/71/00/446637100.db2.gz JCIZLCFYHSJAPR-JCGIZDLHSA-N 2 1 334.508 1.890 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418666753 446641472 /nfs/dbraw/zinc/64/14/72/446641472.db2.gz GOQIECFHPKPURE-KRWDZBQOSA-N 2 1 334.464 1.440 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418670913 446642962 /nfs/dbraw/zinc/64/29/62/446642962.db2.gz LSYFVQZUCYYXJQ-INDMIFKZSA-N 2 1 342.487 1.758 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418671617 446643432 /nfs/dbraw/zinc/64/34/32/446643432.db2.gz MPLIGHLSBAIVGA-BDXSIMOUSA-N 2 1 328.460 1.368 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000423726118 446662004 /nfs/dbraw/zinc/66/20/04/446662004.db2.gz JVIHDLJBFSCRQD-SFHVURJKSA-N 2 1 348.491 1.363 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418754473 446673895 /nfs/dbraw/zinc/67/38/95/446673895.db2.gz WQDREAOXGGTMIF-DOTOQJQBSA-N 2 1 346.475 1.883 20 0 EDADMP CC[C@@H](C(=O)NC[C@@]1(COC)CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000423640559 446621809 /nfs/dbraw/zinc/62/18/09/446621809.db2.gz VXCXYLMEMHMBLS-PKOBYXMFSA-N 2 1 333.476 1.782 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000418630117 446623920 /nfs/dbraw/zinc/62/39/20/446623920.db2.gz RNJJIKKWEIRBIA-OAHLLOKOSA-N 2 1 328.501 1.374 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000423649550 446624943 /nfs/dbraw/zinc/62/49/43/446624943.db2.gz PPHXSIBCNADYEH-CKEIUWERSA-N 2 1 334.439 1.284 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000434270915 446633372 /nfs/dbraw/zinc/63/33/72/446633372.db2.gz TVZIGFQSRJUBRF-YYIAUSFCSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000434270915 446633375 /nfs/dbraw/zinc/63/33/75/446633375.db2.gz TVZIGFQSRJUBRF-YYIAUSFCSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000434270915 446633381 /nfs/dbraw/zinc/63/33/81/446633381.db2.gz TVZIGFQSRJUBRF-YYIAUSFCSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000434270915 446633385 /nfs/dbraw/zinc/63/33/85/446633385.db2.gz TVZIGFQSRJUBRF-YYIAUSFCSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[C@@]1(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CC[NH2+]C1 ZINC000423755444 446685935 /nfs/dbraw/zinc/68/59/35/446685935.db2.gz FELYEZXHVJDPEX-SFHVURJKSA-N 2 1 325.497 1.726 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)[C@@H](c2ccccc2)C1 ZINC000418767253 446685985 /nfs/dbraw/zinc/68/59/85/446685985.db2.gz QBJKSJDRHTZOSY-HUUCEWRRSA-N 2 1 338.402 1.682 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)[C@@H](c2ccccc2)C1 ZINC000418767253 446685989 /nfs/dbraw/zinc/68/59/89/446685989.db2.gz QBJKSJDRHTZOSY-HUUCEWRRSA-N 2 1 338.402 1.682 20 0 EDADMP Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C1C[NH2+]C1 ZINC000368163522 446679588 /nfs/dbraw/zinc/67/95/88/446679588.db2.gz ASQFXUTWRDZRDS-KRWDZBQOSA-N 2 1 339.443 1.796 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000423914457 446763852 /nfs/dbraw/zinc/76/38/52/446763852.db2.gz XXEWJPJOOIYHES-IIAWOOMASA-N 2 1 331.464 1.433 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000423934692 446786067 /nfs/dbraw/zinc/78/60/67/446786067.db2.gz WMBKWSGNZXZTDH-SZMVWBNQSA-N 2 1 333.476 1.953 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000423934692 446786071 /nfs/dbraw/zinc/78/60/71/446786071.db2.gz WMBKWSGNZXZTDH-SZMVWBNQSA-N 2 1 333.476 1.953 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C[NH3+])C1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423936238 446787677 /nfs/dbraw/zinc/78/76/77/446787677.db2.gz BXKZVHQSTNUFMZ-WTTBNOFXSA-N 2 1 325.497 1.754 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C[NH3+])C1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423936238 446787683 /nfs/dbraw/zinc/78/76/83/446787683.db2.gz BXKZVHQSTNUFMZ-WTTBNOFXSA-N 2 1 325.497 1.754 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000423934864 446788044 /nfs/dbraw/zinc/78/80/44/446788044.db2.gz XBBGPJIAUXKYFD-VJANTYMQSA-N 2 1 345.487 1.953 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000423934864 446788048 /nfs/dbraw/zinc/78/80/48/446788048.db2.gz XBBGPJIAUXKYFD-VJANTYMQSA-N 2 1 345.487 1.953 20 0 EDADMP C[NH2+]CCCN(C)C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000424018750 446824687 /nfs/dbraw/zinc/82/46/87/446824687.db2.gz JSJUROORNTULOX-HOTGVXAUSA-N 2 1 333.476 1.977 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000454250933 446826159 /nfs/dbraw/zinc/82/61/59/446826159.db2.gz BZBKRUOPBVAWRA-IRXDYDNUSA-N 2 1 347.507 1.446 20 0 EDADMP CCOC(=O)[C@@](C)(O)C[N@@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000368389962 446831988 /nfs/dbraw/zinc/83/19/88/446831988.db2.gz LCFUVSOCMMHFRM-SFHVURJKSA-N 2 1 335.448 1.292 20 0 EDADMP C[C@@H]1CCCN(c2cc(N3C[C@H](C)N(CCO)C[C@H]3C)ncn2)C1 ZINC000418994397 446853009 /nfs/dbraw/zinc/85/30/09/446853009.db2.gz BQBLQBSLTSHBQF-OWCLPIDISA-N 2 1 333.480 1.604 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000424457606 446876291 /nfs/dbraw/zinc/87/62/91/446876291.db2.gz RTTYZTVIVRXFDP-DOTOQJQBSA-N 2 1 344.459 1.335 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@@H]1CCN2CCO[C@H]1C2)[N@H+]1CCC[C@@H](C)C1 ZINC000454519537 446897712 /nfs/dbraw/zinc/89/77/12/446897712.db2.gz WOPXXYSNYWISCF-TWMKSMIVSA-N 2 1 338.496 1.221 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419076987 446907302 /nfs/dbraw/zinc/90/73/02/446907302.db2.gz ILDRRWCWPYITCB-OAHLLOKOSA-N 2 1 338.496 1.145 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000377082386 446909385 /nfs/dbraw/zinc/90/93/85/446909385.db2.gz NDEBVHBVUVCDHU-ZHALLVOQSA-N 2 1 336.524 1.645 20 0 EDADMP C[N@H+](CCc1cnccn1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420954075 446925147 /nfs/dbraw/zinc/92/51/47/446925147.db2.gz VSPDCRVIOVORSP-UHFFFAOYSA-N 2 1 326.444 1.983 20 0 EDADMP C[N@@H+](CCc1cnccn1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420954075 446925151 /nfs/dbraw/zinc/92/51/51/446925151.db2.gz VSPDCRVIOVORSP-UHFFFAOYSA-N 2 1 326.444 1.983 20 0 EDADMP O=C1C[C@]2(CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)CN1 ZINC000420962728 446933100 /nfs/dbraw/zinc/93/31/00/446933100.db2.gz KXRVVGNIWVQXAO-LJQANCHMSA-N 2 1 329.444 1.231 20 0 EDADMP O=C1C[C@]2(CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)CN1 ZINC000420962728 446933106 /nfs/dbraw/zinc/93/31/06/446933106.db2.gz KXRVVGNIWVQXAO-LJQANCHMSA-N 2 1 329.444 1.231 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442771009 446961043 /nfs/dbraw/zinc/96/10/43/446961043.db2.gz SJBABFXMGZZHCP-UKRRQHHQSA-N 2 1 335.448 1.032 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442771009 446961048 /nfs/dbraw/zinc/96/10/48/446961048.db2.gz SJBABFXMGZZHCP-UKRRQHHQSA-N 2 1 335.448 1.032 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000442786149 446967276 /nfs/dbraw/zinc/96/72/76/446967276.db2.gz VCHRPCHSCBRADY-QAPCUYQASA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000442786149 446967284 /nfs/dbraw/zinc/96/72/84/446967284.db2.gz VCHRPCHSCBRADY-QAPCUYQASA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2CC[NH+](C)[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000368597794 446969737 /nfs/dbraw/zinc/96/97/37/446969737.db2.gz YFTGWLRUBQJHCP-RZFLPCETSA-N 2 1 337.508 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2CC[NH+](C)[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000368597794 446969742 /nfs/dbraw/zinc/96/97/42/446969742.db2.gz YFTGWLRUBQJHCP-RZFLPCETSA-N 2 1 337.508 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000368597794 446969746 /nfs/dbraw/zinc/96/97/46/446969746.db2.gz YFTGWLRUBQJHCP-RZFLPCETSA-N 2 1 337.508 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000368597794 446969748 /nfs/dbraw/zinc/96/97/48/446969748.db2.gz YFTGWLRUBQJHCP-RZFLPCETSA-N 2 1 337.508 1.673 20 0 EDADMP COC[C@H]1CCCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000368668441 447018716 /nfs/dbraw/zinc/01/87/16/447018716.db2.gz XDNPEDHZYPTBQC-INIZCTEOSA-N 2 1 333.480 1.477 20 0 EDADMP COC[C@H]1CCCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000368668441 447018722 /nfs/dbraw/zinc/01/87/22/447018722.db2.gz XDNPEDHZYPTBQC-INIZCTEOSA-N 2 1 333.480 1.477 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C ZINC000442880341 446988594 /nfs/dbraw/zinc/98/85/94/446988594.db2.gz YKHXRFANNYGJBS-IXDOHACOSA-N 2 1 339.524 1.970 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443058085 446999705 /nfs/dbraw/zinc/99/97/05/446999705.db2.gz JCLFUHJHXAVQDX-AWEZNQCLSA-N 2 1 335.448 1.381 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000443058950 447000201 /nfs/dbraw/zinc/00/02/01/447000201.db2.gz OUEQMBMFGHUNQB-QAPCUYQASA-N 2 1 349.450 1.786 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000413199523 447064565 /nfs/dbraw/zinc/06/45/65/447064565.db2.gz RIUBVYVFZSLKKB-MRXNPFEDSA-N 2 1 334.464 1.520 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375759056 447027293 /nfs/dbraw/zinc/02/72/93/447027293.db2.gz PZHYFIYLXODITM-SJPCQFCGSA-N 2 1 344.459 1.671 20 0 EDADMP C[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375759056 447027296 /nfs/dbraw/zinc/02/72/96/447027296.db2.gz PZHYFIYLXODITM-SJPCQFCGSA-N 2 1 344.459 1.671 20 0 EDADMP C[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375759056 447027299 /nfs/dbraw/zinc/02/72/99/447027299.db2.gz PZHYFIYLXODITM-SJPCQFCGSA-N 2 1 344.459 1.671 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)ccc1C[NH+](C)C ZINC000421298022 447110987 /nfs/dbraw/zinc/11/09/87/447110987.db2.gz FPWOHNFLUJIBHD-QGZVFWFLSA-N 2 1 346.475 1.548 20 0 EDADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000421298020 447111085 /nfs/dbraw/zinc/11/10/85/447111085.db2.gz MBYXSRCOESNODM-MRXNPFEDSA-N 2 1 330.432 1.123 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000421298020 447111091 /nfs/dbraw/zinc/11/10/91/447111091.db2.gz MBYXSRCOESNODM-MRXNPFEDSA-N 2 1 330.432 1.123 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000421298020 447111097 /nfs/dbraw/zinc/11/10/97/447111097.db2.gz MBYXSRCOESNODM-MRXNPFEDSA-N 2 1 330.432 1.123 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000421298020 447111105 /nfs/dbraw/zinc/11/11/05/447111105.db2.gz MBYXSRCOESNODM-MRXNPFEDSA-N 2 1 330.432 1.123 20 0 EDADMP NS(=O)(=O)CCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377336330 447073083 /nfs/dbraw/zinc/07/30/83/447073083.db2.gz KEAGSRIGFXIXBR-SJORKVTESA-N 2 1 337.489 1.119 20 0 EDADMP CC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CC1(C)C ZINC000419322333 447087406 /nfs/dbraw/zinc/08/74/06/447087406.db2.gz SFEHTCSYIVWLTG-BBWFWOEESA-N 2 1 339.524 1.874 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@]3(C)CCO[C@@H]3C3CC3)cn2)CC1 ZINC000368762635 447091099 /nfs/dbraw/zinc/09/10/99/447091099.db2.gz AFBNTWCBGYCUJL-MJGOQNOKSA-N 2 1 345.491 1.523 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000419410114 447158531 /nfs/dbraw/zinc/15/85/31/447158531.db2.gz OFJMSZWUWPXTFW-CABCVRRESA-N 2 1 338.496 1.014 20 0 EDADMP C[N@H+](Cc1cccc(C(N)=O)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368858993 447163409 /nfs/dbraw/zinc/16/34/09/447163409.db2.gz KXXALFZIPXSORO-UHFFFAOYSA-N 2 1 331.460 1.861 20 0 EDADMP C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368858993 447163415 /nfs/dbraw/zinc/16/34/15/447163415.db2.gz KXXALFZIPXSORO-UHFFFAOYSA-N 2 1 331.460 1.861 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000419428623 447169230 /nfs/dbraw/zinc/16/92/30/447169230.db2.gz ATLVZKVXXGCGPO-TWMKSMIVSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419428623 447169239 /nfs/dbraw/zinc/16/92/39/447169239.db2.gz ATLVZKVXXGCGPO-TWMKSMIVSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419428623 447169246 /nfs/dbraw/zinc/16/92/46/447169246.db2.gz ATLVZKVXXGCGPO-TWMKSMIVSA-N 2 1 340.512 1.203 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000413816782 447255997 /nfs/dbraw/zinc/25/59/97/447255997.db2.gz JWXZOPSEUKBRMY-HNNXBMFYSA-N 2 1 334.464 1.980 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000421700047 447220696 /nfs/dbraw/zinc/22/06/96/447220696.db2.gz CWQWPFDOQOFPKC-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000421700047 447220708 /nfs/dbraw/zinc/22/07/08/447220708.db2.gz CWQWPFDOQOFPKC-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000421700047 447220715 /nfs/dbraw/zinc/22/07/15/447220715.db2.gz CWQWPFDOQOFPKC-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000421700047 447220723 /nfs/dbraw/zinc/22/07/23/447220723.db2.gz CWQWPFDOQOFPKC-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000377581861 447221635 /nfs/dbraw/zinc/22/16/35/447221635.db2.gz NNMKFLACFTXHAS-MUIFIZLQSA-N 2 1 333.480 1.307 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCC[N@H+]1C ZINC000419544425 447255802 /nfs/dbraw/zinc/25/58/02/447255802.db2.gz HRIBTCTXVCACIF-GDBMZVCRSA-N 2 1 338.496 1.014 20 0 EDADMP C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC000447995835 447300060 /nfs/dbraw/zinc/30/00/60/447300060.db2.gz AQNMDDUGGLTFBD-CQSZACIVSA-N 2 1 336.484 1.687 20 0 EDADMP CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cnc(N5CC[NH+](C)CC5)nc4)[C@H]1[C@H]3C2 ZINC000377631258 447258056 /nfs/dbraw/zinc/25/80/56/447258056.db2.gz RMPHXQHCAJLITG-KFGODFMUSA-N 2 1 343.475 1.084 20 0 EDADMP CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cnc(N5CC[NH+](C)CC5)nc4)[C@H]1[C@H]3C2 ZINC000377631258 447258063 /nfs/dbraw/zinc/25/80/63/447258063.db2.gz RMPHXQHCAJLITG-KFGODFMUSA-N 2 1 343.475 1.084 20 0 EDADMP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458719767 447459543 /nfs/dbraw/zinc/45/95/43/447459543.db2.gz BAEOZMBHQYHAGM-GTPINHCMSA-N 2 1 338.496 1.149 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000422354119 447497795 /nfs/dbraw/zinc/49/77/95/447497795.db2.gz HMSCLQQSNJYVFE-GJZGRUSLSA-N 2 1 340.512 1.020 20 0 EDADMP c1ccc(CN2CCN(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000400924833 447574606 /nfs/dbraw/zinc/57/46/06/447574606.db2.gz HAXWVQYSOIPAIV-PWRODBHTSA-N 2 1 342.531 1.782 20 0 EDADMP CC(C)[NH+](CCNC(=O)NC[C@H]1CCCC[N@H+]1CCO)C(C)C ZINC000457417094 447575816 /nfs/dbraw/zinc/57/58/16/447575816.db2.gz FMEHZYAGNOSLDN-MRXNPFEDSA-N 2 1 328.501 1.251 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000427305194 447578285 /nfs/dbraw/zinc/57/82/85/447578285.db2.gz RBZHNJPARCEPKS-ZBFHGGJFSA-N 2 1 344.459 1.322 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC1CC[NH+](C2CCC2)CC1 ZINC000459117093 447581729 /nfs/dbraw/zinc/58/17/29/447581729.db2.gz VDGMFNBFYDRUAW-QGZVFWFLSA-N 2 1 338.496 1.149 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000416211862 447540904 /nfs/dbraw/zinc/54/09/04/447540904.db2.gz XATYTHPCWWVSLK-SJORKVTESA-N 2 1 345.487 1.348 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000416211862 447540911 /nfs/dbraw/zinc/54/09/11/447540911.db2.gz XATYTHPCWWVSLK-SJORKVTESA-N 2 1 345.487 1.348 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000416211862 447540914 /nfs/dbraw/zinc/54/09/14/447540914.db2.gz XATYTHPCWWVSLK-SJORKVTESA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000459041497 447550723 /nfs/dbraw/zinc/55/07/23/447550723.db2.gz NPAQBJCHEGEAET-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000459041497 447550725 /nfs/dbraw/zinc/55/07/25/447550725.db2.gz NPAQBJCHEGEAET-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP COc1cc[nH+]c(N2CCN(Cc3cc(=O)[nH]c(C4CC4)n3)CC2)c1 ZINC000459335742 447636523 /nfs/dbraw/zinc/63/65/23/447636523.db2.gz IHLAUDTWRAREHR-UHFFFAOYSA-N 2 1 341.415 1.785 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000416832127 447693283 /nfs/dbraw/zinc/69/32/83/447693283.db2.gz IICIDDHUDGYECS-GDBMZVCRSA-N 2 1 334.464 1.549 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])C1 ZINC000416868647 447699624 /nfs/dbraw/zinc/69/96/24/447699624.db2.gz MBLPVCSRRRRDAP-HRCADAONSA-N 2 1 326.485 1.112 20 0 EDADMP C[NH2+]CCC1CCN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000416871150 447700766 /nfs/dbraw/zinc/70/07/66/447700766.db2.gz PCNTXINMSJZWOJ-KRWDZBQOSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N(C)CC(C)(C)C[NH3+])n1 ZINC000420202532 447667865 /nfs/dbraw/zinc/66/78/65/447667865.db2.gz JKRXSNULZQUMDQ-ZBFHGGJFSA-N 2 1 335.496 2.513 20 0 EDADMP COc1cc2[nH+]c(N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)nc(N)c2cc1OC ZINC000420215216 447673628 /nfs/dbraw/zinc/67/36/28/447673628.db2.gz KFXOKNGRGLDOJG-FOSCPWQOSA-N 2 1 343.431 1.948 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422632160 447678965 /nfs/dbraw/zinc/67/89/65/447678965.db2.gz GIZDRBCCIWASDR-UXLLHSPISA-N 2 1 333.476 1.659 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422632160 447678971 /nfs/dbraw/zinc/67/89/71/447678971.db2.gz GIZDRBCCIWASDR-UXLLHSPISA-N 2 1 333.476 1.659 20 0 EDADMP COc1cc2[nH+]c(N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)nc(N)c2cc1OC ZINC000420228013 447679570 /nfs/dbraw/zinc/67/95/70/447679570.db2.gz KBEUTNLWVAEIRP-MVWJERBFSA-N 2 1 329.404 1.403 20 0 EDADMP CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)n1 ZINC000420234986 447682253 /nfs/dbraw/zinc/68/22/53/447682253.db2.gz IBEPLQFQERATQB-BFYDXBDKSA-N 2 1 333.480 1.490 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)[NH+]1CCOCC1 ZINC000416938238 447716001 /nfs/dbraw/zinc/71/60/01/447716001.db2.gz KQRBXUDDQRYHCH-HOTGVXAUSA-N 2 1 328.501 1.358 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000416943756 447719909 /nfs/dbraw/zinc/71/99/09/447719909.db2.gz TYKKRNGAVZBMOQ-JKSUJKDBSA-N 2 1 326.485 1.175 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422715828 447725839 /nfs/dbraw/zinc/72/58/39/447725839.db2.gz MTTNYHKFQZQWFS-ZWKOTPCHSA-N 2 1 346.523 1.486 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[nH+]c1 ZINC000417065151 447732793 /nfs/dbraw/zinc/73/27/93/447732793.db2.gz PGIFUVKBFDVJLD-SJORKVTESA-N 2 1 345.491 2.223 20 0 EDADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000422744362 447736137 /nfs/dbraw/zinc/73/61/37/447736137.db2.gz VXIUXVZDKJKTFK-HIFRSBDPSA-N 2 1 325.478 1.461 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000458209847 447745017 /nfs/dbraw/zinc/74/50/17/447745017.db2.gz YYNPSBJMCFKROA-HNNXBMFYSA-N 2 1 325.478 1.359 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000458209847 447745022 /nfs/dbraw/zinc/74/50/22/447745022.db2.gz YYNPSBJMCFKROA-HNNXBMFYSA-N 2 1 325.478 1.359 20 0 EDADMP CC[C@@H](CSC)[N@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496286568 447752618 /nfs/dbraw/zinc/75/26/18/447752618.db2.gz WCOVGUSLKMJGGA-GOEBONIOSA-N 2 1 327.494 1.934 20 0 EDADMP CC[C@@H](CSC)[N@@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496286568 447752620 /nfs/dbraw/zinc/75/26/20/447752620.db2.gz WCOVGUSLKMJGGA-GOEBONIOSA-N 2 1 327.494 1.934 20 0 EDADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000422897622 447771243 /nfs/dbraw/zinc/77/12/43/447771243.db2.gz CIDKGVAOVRMHON-ROUUACIJSA-N 2 1 331.460 1.909 20 0 EDADMP C[NH2+]C[C@H]1CCCN1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000430557709 447778341 /nfs/dbraw/zinc/77/83/41/447778341.db2.gz OJKPWWQJVKOGHD-LJQANCHMSA-N 2 1 344.503 1.323 20 0 EDADMP O=C(COc1ccccc1C[NH2+]C1CC[NH2+]CC1)NC[C@@H]1CCCO1 ZINC000422949359 447778353 /nfs/dbraw/zinc/77/83/53/447778353.db2.gz TVPLJXCDIFRCNG-KRWDZBQOSA-N 2 1 347.459 1.202 20 0 EDADMP COc1ccc(-n2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])n2)cc1 ZINC000422950755 447778687 /nfs/dbraw/zinc/77/86/87/447778687.db2.gz YUGQJYAMDLYCOO-DOPJRALCSA-N 2 1 330.432 1.723 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCCN(C)c2ccccc2)C1 ZINC000430561735 447779641 /nfs/dbraw/zinc/77/96/41/447779641.db2.gz ABKURJHGUPLFAJ-IRXDYDNUSA-N 2 1 332.492 1.688 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCCN(C)c2ccccc2)C1 ZINC000430561735 447779645 /nfs/dbraw/zinc/77/96/45/447779645.db2.gz ABKURJHGUPLFAJ-IRXDYDNUSA-N 2 1 332.492 1.688 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000430578974 447781594 /nfs/dbraw/zinc/78/15/94/447781594.db2.gz ZSUWFYWPQZBEQO-GOEBONIOSA-N 2 1 349.475 1.422 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000430578974 447781597 /nfs/dbraw/zinc/78/15/97/447781597.db2.gz ZSUWFYWPQZBEQO-GOEBONIOSA-N 2 1 349.475 1.422 20 0 EDADMP CCNC(=O)c1cccc(NC(=O)C[NH+]2CCC(C[NH2+]CC)CC2)c1 ZINC000430593869 447782708 /nfs/dbraw/zinc/78/27/08/447782708.db2.gz PQMRUPNYZPYPLJ-UHFFFAOYSA-N 2 1 346.475 1.696 20 0 EDADMP COCC[C@]1(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CC[NH2+]C1 ZINC000431021441 447789649 /nfs/dbraw/zinc/78/96/49/447789649.db2.gz JJELCDIQGHTEEY-LJQANCHMSA-N 2 1 346.475 1.491 20 0 EDADMP COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1OC ZINC000423001373 447790231 /nfs/dbraw/zinc/79/02/31/447790231.db2.gz IAZJHYBHZDGGDW-USXIJHARSA-N 2 1 348.443 1.729 20 0 EDADMP CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000423113946 447807750 /nfs/dbraw/zinc/80/77/50/447807750.db2.gz VALLVYCLUMXYHP-FVAVCCDCSA-N 3 1 336.524 1.580 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000487404765 447831911 /nfs/dbraw/zinc/83/19/11/447831911.db2.gz IHWRWDRCBBMKJJ-IMFGXOCKSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000487404765 447831912 /nfs/dbraw/zinc/83/19/12/447831912.db2.gz IHWRWDRCBBMKJJ-IMFGXOCKSA-N 2 1 345.487 1.280 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000487404765 447831914 /nfs/dbraw/zinc/83/19/14/447831914.db2.gz IHWRWDRCBBMKJJ-IMFGXOCKSA-N 2 1 345.487 1.280 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000487616839 447834932 /nfs/dbraw/zinc/83/49/32/447834932.db2.gz IIPFFQSLYHDLBW-IRXDYDNUSA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)C1 ZINC000487616839 447834933 /nfs/dbraw/zinc/83/49/33/447834933.db2.gz IIPFFQSLYHDLBW-IRXDYDNUSA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)C1 ZINC000487616839 447834934 /nfs/dbraw/zinc/83/49/34/447834934.db2.gz IIPFFQSLYHDLBW-IRXDYDNUSA-N 2 1 340.512 1.325 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496622633 447835152 /nfs/dbraw/zinc/83/51/52/447835152.db2.gz JXOAETMEDNPGIR-ZDUSSCGKSA-N 2 1 327.473 1.357 20 0 EDADMP Cc1nc(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)nc(N(C)C)n1 ZINC000488373372 447845729 /nfs/dbraw/zinc/84/57/29/447845729.db2.gz XFJDNSWKDOJYAT-CYBMUJFWSA-N 2 1 326.448 2.105 20 0 EDADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000496680867 447847130 /nfs/dbraw/zinc/84/71/30/447847130.db2.gz IXFKLJUVCCEGMA-BMFZPTHFSA-N 2 1 341.496 1.677 20 0 EDADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000496680867 447847131 /nfs/dbraw/zinc/84/71/31/447847131.db2.gz IXFKLJUVCCEGMA-BMFZPTHFSA-N 2 1 341.496 1.677 20 0 EDADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000523320772 447878892 /nfs/dbraw/zinc/87/88/92/447878892.db2.gz YZNOLGYUPHAUKV-ROUUACIJSA-N 2 1 345.491 1.782 20 0 EDADMP CC(C)[C@H]1CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@H+]1C ZINC000497159328 447905665 /nfs/dbraw/zinc/90/56/65/447905665.db2.gz JANAGPJQJODBFP-AEFFLSMTSA-N 2 1 336.480 1.133 20 0 EDADMP O=C(N1CC[NH+](CC2CC2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000524395203 447927666 /nfs/dbraw/zinc/92/76/66/447927666.db2.gz PYWDBIRRHJDLNB-HXUWFJFHSA-N 2 1 343.471 1.178 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000525191190 447975440 /nfs/dbraw/zinc/97/54/40/447975440.db2.gz HKVAQUYIQWPDOA-ZDUSSCGKSA-N 2 1 340.431 1.300 20 0 EDADMP CC[C@H](CCO)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000553189618 447976761 /nfs/dbraw/zinc/97/67/61/447976761.db2.gz BEVQHHNWXSZUAR-MRXNPFEDSA-N 2 1 339.524 1.708 20 0 EDADMP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[NH+]1CC(C)C1 ZINC000553222790 447979441 /nfs/dbraw/zinc/97/94/41/447979441.db2.gz IYRGFRURKAAXBE-QAPCUYQASA-N 2 1 331.460 1.210 20 0 EDADMP [NH3+]C[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000570428570 448011872 /nfs/dbraw/zinc/01/18/72/448011872.db2.gz CCSINDIKAQBVRU-RBUKOAKNSA-N 2 1 344.503 1.931 20 0 EDADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000570502648 448028165 /nfs/dbraw/zinc/02/81/65/448028165.db2.gz IBZOJDGNKLDGNH-SJLPKXTDSA-N 2 1 346.475 1.392 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496925006 448042013 /nfs/dbraw/zinc/04/20/13/448042013.db2.gz NFIXLZNJDHSEAP-OFQRWUPVSA-N 2 1 341.496 1.725 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496925006 448042019 /nfs/dbraw/zinc/04/20/19/448042019.db2.gz NFIXLZNJDHSEAP-OFQRWUPVSA-N 2 1 341.496 1.725 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000531255173 448047749 /nfs/dbraw/zinc/04/77/49/448047749.db2.gz SQWFXWXWYBHKPZ-QGZVFWFLSA-N 2 1 345.553 1.710 20 0 EDADMP CC[NH+]1CCC(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000531291385 448054808 /nfs/dbraw/zinc/05/48/08/448054808.db2.gz BPRMUCKPORHRPU-IBGZPJMESA-N 2 1 331.460 1.224 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000526041168 448085541 /nfs/dbraw/zinc/08/55/41/448085541.db2.gz WJPGDEUNZUZNED-HUUCEWRRSA-N 2 1 339.505 1.943 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000525952918 448065529 /nfs/dbraw/zinc/06/55/29/448065529.db2.gz ZXVMCSFHCGFUJN-LMWSTFAQSA-N 2 1 333.398 1.860 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000571184416 448121514 /nfs/dbraw/zinc/12/15/14/448121514.db2.gz YFYSKNPDVKKYGC-ROUUACIJSA-N 2 1 346.475 1.329 20 0 EDADMP Cn1ccnc1N1CC[NH+](C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000576713878 448123834 /nfs/dbraw/zinc/12/38/34/448123834.db2.gz FHRWQERRLDWTJR-GOSISDBHSA-N 2 1 341.459 1.448 20 0 EDADMP Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(-c2ccnn2C)c1 ZINC000576767666 448135965 /nfs/dbraw/zinc/13/59/65/448135965.db2.gz DJDUSINWGUKFIW-RDJZCZTQSA-N 2 1 339.443 1.139 20 0 EDADMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cn2)CC1 ZINC000571431420 448153903 /nfs/dbraw/zinc/15/39/03/448153903.db2.gz BZGAJQREUHAXIQ-CGTJXYLNSA-N 2 1 347.507 1.065 20 0 EDADMP CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000576922849 448170530 /nfs/dbraw/zinc/17/05/30/448170530.db2.gz QLYVWBLCXISBOX-KRWDZBQOSA-N 2 1 346.475 1.548 20 0 EDADMP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000514940625 448229889 /nfs/dbraw/zinc/22/98/89/448229889.db2.gz YYNRCEZXEWXLRV-IAGOWNOFSA-N 2 1 335.423 1.237 20 0 EDADMP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000514940625 448229895 /nfs/dbraw/zinc/22/98/95/448229895.db2.gz YYNRCEZXEWXLRV-IAGOWNOFSA-N 2 1 335.423 1.237 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000571897541 448231739 /nfs/dbraw/zinc/23/17/39/448231739.db2.gz PMUNCNXIECCYDM-MSOLQXFVSA-N 2 1 346.475 1.281 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)NC(=O)CO2 ZINC000571904240 448233417 /nfs/dbraw/zinc/23/34/17/448233417.db2.gz QMRFRKSUJBKLMD-KYJSFNMBSA-N 2 1 345.443 1.701 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2c(c1)NC(=O)CO2 ZINC000571904240 448233421 /nfs/dbraw/zinc/23/34/21/448233421.db2.gz QMRFRKSUJBKLMD-KYJSFNMBSA-N 2 1 345.443 1.701 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000571856796 448217536 /nfs/dbraw/zinc/21/75/36/448217536.db2.gz LGMJWEYPEVNAKL-UHFFFAOYSA-N 2 1 347.507 1.623 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000532348308 448242350 /nfs/dbraw/zinc/24/23/50/448242350.db2.gz MKCBHBOELUYAOD-SJLPKXTDSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000577354083 448271987 /nfs/dbraw/zinc/27/19/87/448271987.db2.gz CNARDIWUHFBRAH-GEEKYZPCSA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000577354083 448271991 /nfs/dbraw/zinc/27/19/91/448271991.db2.gz CNARDIWUHFBRAH-GEEKYZPCSA-N 2 1 338.496 1.410 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000515113779 448261053 /nfs/dbraw/zinc/26/10/53/448261053.db2.gz DTRMUNFOFZSUTB-XLIONFOSSA-N 2 1 347.503 1.860 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000515113779 448261059 /nfs/dbraw/zinc/26/10/59/448261059.db2.gz DTRMUNFOFZSUTB-XLIONFOSSA-N 2 1 347.503 1.860 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000515113779 448261068 /nfs/dbraw/zinc/26/10/68/448261068.db2.gz DTRMUNFOFZSUTB-XLIONFOSSA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000577485534 448309465 /nfs/dbraw/zinc/30/94/65/448309465.db2.gz JEYHEBZJKGENDQ-JKSUJKDBSA-N 2 1 339.528 1.090 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000515485791 448319572 /nfs/dbraw/zinc/31/95/72/448319572.db2.gz ADTYVIGOCXMOLY-QAPCUYQASA-N 2 1 330.476 1.761 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2CCC(=O)CC2)CC1 ZINC000577440168 448296980 /nfs/dbraw/zinc/29/69/80/448296980.db2.gz VXPPPGKYSSHXHT-UHFFFAOYSA-N 2 1 330.432 1.921 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000591418488 448357730 /nfs/dbraw/zinc/35/77/30/448357730.db2.gz DMAVKZBAEHSIMC-CABCVRRESA-N 2 1 336.505 1.105 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000591418488 448357732 /nfs/dbraw/zinc/35/77/32/448357732.db2.gz DMAVKZBAEHSIMC-CABCVRRESA-N 2 1 336.505 1.105 20 0 EDADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000572368003 448359474 /nfs/dbraw/zinc/35/94/74/448359474.db2.gz QHOCDWRMYIWUGA-HNNXBMFYSA-N 2 1 339.447 1.503 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000577831574 448395941 /nfs/dbraw/zinc/39/59/41/448395941.db2.gz CMVDDJMOAAPMOP-RYRKJORJSA-N 2 1 330.476 1.806 20 0 EDADMP COCC[NH2+]C1CC[NH+](Cc2ccc(-n3cncn3)c(C)c2)CC1 ZINC000566316809 448444842 /nfs/dbraw/zinc/44/48/42/448444842.db2.gz QBFPZJBUELBFIV-UHFFFAOYSA-N 2 1 329.448 1.776 20 0 EDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000528151397 448448337 /nfs/dbraw/zinc/44/83/37/448448337.db2.gz MMYBTLZNVSGVIL-UMPJEAMMSA-N 2 1 332.448 1.831 20 0 EDADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000516787184 448475340 /nfs/dbraw/zinc/47/53/40/448475340.db2.gz PNDMHOBCGCPVON-HOTGVXAUSA-N 2 1 334.489 1.265 20 0 EDADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000516787184 448475344 /nfs/dbraw/zinc/47/53/44/448475344.db2.gz PNDMHOBCGCPVON-HOTGVXAUSA-N 2 1 334.489 1.265 20 0 EDADMP C[C@H](CNC(=O)COC1CCC([NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000572838489 448476030 /nfs/dbraw/zinc/47/60/30/448476030.db2.gz BEWWNEVENSLWPR-FAEJEUNOSA-N 2 1 333.476 1.910 20 0 EDADMP NC(=O)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000591759459 448484185 /nfs/dbraw/zinc/48/41/85/448484185.db2.gz RFRCYZRKNCKKDG-YESZJQIVSA-N 2 1 344.459 1.462 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000584359221 448498145 /nfs/dbraw/zinc/49/81/45/448498145.db2.gz VHPOKLDVVGEQJC-IEBWSBKVSA-N 2 1 344.503 1.451 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000584398068 448509518 /nfs/dbraw/zinc/50/95/18/448509518.db2.gz RWGOEEVSFQYBSO-AWEZNQCLSA-N 2 1 344.459 1.261 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000528504211 448558910 /nfs/dbraw/zinc/55/89/10/448558910.db2.gz MZVURLBKFSZZPX-UHFFFAOYSA-N 2 1 330.436 1.011 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccnc2)CC12CCOCC2 ZINC000573206944 448568883 /nfs/dbraw/zinc/56/88/83/448568883.db2.gz VYRBOKXKLBNCQL-INIZCTEOSA-N 2 1 327.432 1.659 20 0 EDADMP C[C@@H](c1cccc(NC[C@H](O)C[N@H+](C)C2CC2)c1)[NH+]1CCOCC1 ZINC000566851483 448570967 /nfs/dbraw/zinc/57/09/67/448570967.db2.gz YIMFHWOJIBSRAU-KXBFYZLASA-N 2 1 333.476 1.947 20 0 EDADMP C[C@@H](c1cccc(NC[C@H](O)C[N@@H+](C)C2CC2)c1)[NH+]1CCOCC1 ZINC000566851483 448570972 /nfs/dbraw/zinc/57/09/72/448570972.db2.gz YIMFHWOJIBSRAU-KXBFYZLASA-N 2 1 333.476 1.947 20 0 EDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000528532330 448573133 /nfs/dbraw/zinc/57/31/33/448573133.db2.gz VNGXTIBPUGGICB-KCEFYPGHSA-N 2 1 337.508 1.673 20 0 EDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000528532330 448573135 /nfs/dbraw/zinc/57/31/35/448573135.db2.gz VNGXTIBPUGGICB-KCEFYPGHSA-N 2 1 337.508 1.673 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000578532996 448574275 /nfs/dbraw/zinc/57/42/75/448574275.db2.gz OEVKRNZNYZEZMN-LJISPDSOSA-N 2 1 340.512 1.101 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000567049754 448604995 /nfs/dbraw/zinc/60/49/95/448604995.db2.gz OOSZOJWYOZJZBY-XYJFISCASA-N 2 1 347.507 1.794 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578740383 448623321 /nfs/dbraw/zinc/62/33/21/448623321.db2.gz FGQHQOJGTGXYSW-HCXYKTFWSA-N 2 1 341.540 1.557 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H]1CNC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578740383 448623325 /nfs/dbraw/zinc/62/33/25/448623325.db2.gz FGQHQOJGTGXYSW-HCXYKTFWSA-N 2 1 341.540 1.557 20 0 EDADMP CC(C)C[NH+]1CCCC[C@@H]1CNC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578740383 448623330 /nfs/dbraw/zinc/62/33/30/448623330.db2.gz FGQHQOJGTGXYSW-HCXYKTFWSA-N 2 1 341.540 1.557 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000566904482 448581430 /nfs/dbraw/zinc/58/14/30/448581430.db2.gz BPFMPIGARHYNRI-XYVMCAHJSA-N 2 1 330.476 1.947 20 0 EDADMP C[NH+](C)C[C@H](O)C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000584598374 448583864 /nfs/dbraw/zinc/58/38/64/448583864.db2.gz GEVUYNFDYUWNKX-CYBMUJFWSA-N 2 1 333.354 1.546 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000584616789 448584629 /nfs/dbraw/zinc/58/46/29/448584629.db2.gz LPYKAAKVVXEHBY-KSZLIROESA-N 2 1 330.476 1.219 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000584616789 448584631 /nfs/dbraw/zinc/58/46/31/448584631.db2.gz LPYKAAKVVXEHBY-KSZLIROESA-N 2 1 330.476 1.219 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000584616789 448584635 /nfs/dbraw/zinc/58/46/35/448584635.db2.gz LPYKAAKVVXEHBY-KSZLIROESA-N 2 1 330.476 1.219 20 0 EDADMP CCCn1cc(CN2CCCN(C(=O)CC(F)(F)C[NH3+])CC2)cn1 ZINC000517580630 448596046 /nfs/dbraw/zinc/59/60/46/448596046.db2.gz AENQWYMCVJYCHX-UHFFFAOYSA-N 2 1 343.422 1.312 20 0 EDADMP C[C@H](O)CN1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000517585925 448597487 /nfs/dbraw/zinc/59/74/87/448597487.db2.gz XQYARXBBIZKLMU-LNLFQRSKSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000517585925 448597490 /nfs/dbraw/zinc/59/74/90/448597490.db2.gz XQYARXBBIZKLMU-LNLFQRSKSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000517585925 448597495 /nfs/dbraw/zinc/59/74/95/448597495.db2.gz XQYARXBBIZKLMU-LNLFQRSKSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000517585925 448597497 /nfs/dbraw/zinc/59/74/97/448597497.db2.gz XQYARXBBIZKLMU-LNLFQRSKSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000517585925 448597499 /nfs/dbraw/zinc/59/74/99/448597499.db2.gz XQYARXBBIZKLMU-LNLFQRSKSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C1=CC[N@@H+](C)CC1 ZINC000528716588 448643198 /nfs/dbraw/zinc/64/31/98/448643198.db2.gz ZFZHLVRKOOIEKH-CYBMUJFWSA-N 2 1 330.432 1.941 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)C1=O ZINC000578953181 448674737 /nfs/dbraw/zinc/67/47/37/448674737.db2.gz BREAPNKCUPBMPV-ZBFHGGJFSA-N 2 1 349.862 1.818 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)C1=O ZINC000578953181 448674741 /nfs/dbraw/zinc/67/47/41/448674741.db2.gz BREAPNKCUPBMPV-ZBFHGGJFSA-N 2 1 349.862 1.818 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000573547621 448654844 /nfs/dbraw/zinc/65/48/44/448654844.db2.gz AJIXZPPUVDXHAQ-LPHOPBHVSA-N 2 1 346.475 1.693 20 0 EDADMP Cc1cncn1CC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000528796584 448682705 /nfs/dbraw/zinc/68/27/05/448682705.db2.gz JRYZJJUPEYSUNV-CALCHBBNSA-N 2 1 348.491 1.929 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000528796584 448682715 /nfs/dbraw/zinc/68/27/15/448682715.db2.gz JRYZJJUPEYSUNV-CALCHBBNSA-N 2 1 348.491 1.929 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529286057 448807537 /nfs/dbraw/zinc/80/75/37/448807537.db2.gz VYDIOCXQTKWQSV-IRXDYDNUSA-N 2 1 328.460 1.845 20 0 EDADMP C[C@H]1CN(C(=O)N[C@H]2CCc3[nH]cnc3C2)CC[N@@H+](C2CCC2)C1 ZINC000579545685 448815149 /nfs/dbraw/zinc/81/51/49/448815149.db2.gz LXBRSERIFQPILD-KGLIPLIRSA-N 2 1 331.464 1.783 20 0 EDADMP C[C@H]1CN(C(=O)N[C@H]2CCc3[nH]cnc3C2)CC[N@H+](C2CCC2)C1 ZINC000579545685 448815151 /nfs/dbraw/zinc/81/51/51/448815151.db2.gz LXBRSERIFQPILD-KGLIPLIRSA-N 2 1 331.464 1.783 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)NC[C@H]1COCC[NH2+]1 ZINC000529302769 448813488 /nfs/dbraw/zinc/81/34/88/448813488.db2.gz ZUKQDZLYYOTNAU-MSOLQXFVSA-N 2 1 346.475 1.186 20 0 EDADMP C[NH+](C)CC1(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CCC1 ZINC000545283883 448784527 /nfs/dbraw/zinc/78/45/27/448784527.db2.gz XIABPOKMRJSXOV-KRWDZBQOSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000519600188 448796007 /nfs/dbraw/zinc/79/60/07/448796007.db2.gz NFUPUPCEHHRFFS-MAZHCROVSA-N 2 1 330.432 1.073 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000519600188 448796008 /nfs/dbraw/zinc/79/60/08/448796008.db2.gz NFUPUPCEHHRFFS-MAZHCROVSA-N 2 1 330.432 1.073 20 0 EDADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@]3(O)CC[N@@H+](C)C3)ccc21 ZINC000579560069 448819906 /nfs/dbraw/zinc/81/99/06/448819906.db2.gz GMPLLTOXBRTIKJ-FUHWJXTLSA-N 2 1 332.448 1.424 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC[C@H]3CCNC3=O)CC2)C[C@H](C)O1 ZINC000568163649 448826447 /nfs/dbraw/zinc/82/64/47/448826447.db2.gz KNSJCJLTTPDADT-SOLBZPMBSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H](c1ccc(NC[C@H](O)C[N@H+](C)C2CC2)cc1)[NH+]1CCOCC1 ZINC000579702638 448856242 /nfs/dbraw/zinc/85/62/42/448856242.db2.gz ZYNMUFHXLATOFM-BEFAXECRSA-N 2 1 333.476 1.947 20 0 EDADMP C[C@H](c1ccc(NC[C@H](O)C[N@@H+](C)C2CC2)cc1)[NH+]1CCOCC1 ZINC000579702638 448856246 /nfs/dbraw/zinc/85/62/46/448856246.db2.gz ZYNMUFHXLATOFM-BEFAXECRSA-N 2 1 333.476 1.947 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000574529763 448897896 /nfs/dbraw/zinc/89/78/96/448897896.db2.gz ZWKIFMGIGQJLMW-QGZVFWFLSA-N 2 1 336.524 1.395 20 0 EDADMP COC(=O)CCCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000547680427 448913970 /nfs/dbraw/zinc/91/39/70/448913970.db2.gz JKVTYGKCSZYQQQ-UHFFFAOYSA-N 2 1 334.420 1.505 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000520351660 448886152 /nfs/dbraw/zinc/88/61/52/448886152.db2.gz PDGQWQNTPHNKRF-SFHVURJKSA-N 2 1 330.476 1.848 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000520351660 448886153 /nfs/dbraw/zinc/88/61/53/448886153.db2.gz PDGQWQNTPHNKRF-SFHVURJKSA-N 2 1 330.476 1.848 20 0 EDADMP C[C@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[N@@H+](C2CCC2)C1 ZINC000574501751 448887007 /nfs/dbraw/zinc/88/70/07/448887007.db2.gz UTXJXRAHWHJSNN-CQSZACIVSA-N 2 1 348.495 1.502 20 0 EDADMP C[C@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[N@H+](C2CCC2)C1 ZINC000574501751 448887011 /nfs/dbraw/zinc/88/70/11/448887011.db2.gz UTXJXRAHWHJSNN-CQSZACIVSA-N 2 1 348.495 1.502 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000569223025 448982631 /nfs/dbraw/zinc/98/26/31/448982631.db2.gz RIBDZOCLPXSMBA-HOTGVXAUSA-N 2 1 344.286 1.789 20 0 EDADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000574987414 449006999 /nfs/dbraw/zinc/00/69/99/449006999.db2.gz XVUZSQQZUCHEOO-RCCFBDPRSA-N 2 1 328.460 1.881 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000575023493 449015770 /nfs/dbraw/zinc/01/57/70/449015770.db2.gz JSSCKCFRJHPGQR-UKRRQHHQSA-N 2 1 331.464 1.894 20 0 EDADMP O=C(NCCCN1CCOCC1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522185714 449061570 /nfs/dbraw/zinc/06/15/70/449061570.db2.gz JXYLQXBIEZUHQF-GOSISDBHSA-N 2 1 346.475 1.132 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522185714 449061582 /nfs/dbraw/zinc/06/15/82/449061582.db2.gz JXYLQXBIEZUHQF-GOSISDBHSA-N 2 1 346.475 1.132 20 0 EDADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548718162 449089758 /nfs/dbraw/zinc/08/97/58/449089758.db2.gz CWYWNLIKCRPBQV-UHFFFAOYSA-N 2 1 339.443 1.968 20 0 EDADMP COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000597943352 449153541 /nfs/dbraw/zinc/15/35/41/449153541.db2.gz YZDSTXUBVWOHQE-ARFHVFGLSA-N 2 1 341.496 1.354 20 0 EDADMP COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000597943352 449153542 /nfs/dbraw/zinc/15/35/42/449153542.db2.gz YZDSTXUBVWOHQE-ARFHVFGLSA-N 2 1 341.496 1.354 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)CC1 ZINC000595890427 449236272 /nfs/dbraw/zinc/23/62/72/449236272.db2.gz DBUNKXBKSOFOJN-IBGZPJMESA-N 3 1 328.504 1.544 20 0 EDADMP CCN1CCN([C@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)CC1 ZINC000595890427 449236276 /nfs/dbraw/zinc/23/62/76/449236276.db2.gz DBUNKXBKSOFOJN-IBGZPJMESA-N 2 1 328.504 1.544 20 0 EDADMP CCN1CCN([C@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)CC1 ZINC000595890427 449236281 /nfs/dbraw/zinc/23/62/81/449236281.db2.gz DBUNKXBKSOFOJN-IBGZPJMESA-N 2 1 328.504 1.544 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)C2)CC1 ZINC000602117258 449358301 /nfs/dbraw/zinc/35/83/01/449358301.db2.gz FUHHDYFXOKBBML-RBUKOAKNSA-N 2 1 348.535 1.630 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)C1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000590965886 449362296 /nfs/dbraw/zinc/36/22/96/449362296.db2.gz FMWFDLKJAKMLKT-KONPQCLYSA-N 2 1 339.524 1.967 20 0 EDADMP C[NH+](C)C1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000613991805 449409314 /nfs/dbraw/zinc/40/93/14/449409314.db2.gz DINLCGXNSRARDA-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000614066445 449441807 /nfs/dbraw/zinc/44/18/07/449441807.db2.gz FREVQAPDQZWHQY-VQIMIIECSA-N 2 1 337.508 1.556 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn4ccccc34)C2)CC1 ZINC000602330245 449518730 /nfs/dbraw/zinc/51/87/30/449518730.db2.gz IXABGCJBMITFQM-CQSZACIVSA-N 2 1 327.432 1.233 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cnn4ccccc34)C2)CC1 ZINC000602330245 449518731 /nfs/dbraw/zinc/51/87/31/449518731.db2.gz IXABGCJBMITFQM-CQSZACIVSA-N 2 1 327.432 1.233 20 0 EDADMP CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000596603087 449569274 /nfs/dbraw/zinc/56/92/74/449569274.db2.gz UANBWMNWMMGIHF-AWEZNQCLSA-N 2 1 328.526 1.549 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000617349186 449570240 /nfs/dbraw/zinc/57/02/40/449570240.db2.gz LKYHWXVWINUVOW-ZWKOTPCHSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000617349186 449570246 /nfs/dbraw/zinc/57/02/46/449570246.db2.gz LKYHWXVWINUVOW-ZWKOTPCHSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000617349186 449570249 /nfs/dbraw/zinc/57/02/49/449570249.db2.gz LKYHWXVWINUVOW-ZWKOTPCHSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000617349186 449570252 /nfs/dbraw/zinc/57/02/52/449570252.db2.gz LKYHWXVWINUVOW-ZWKOTPCHSA-N 2 1 345.487 1.876 20 0 EDADMP COC(=O)CCN1CCC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1=O ZINC000594661232 449615347 /nfs/dbraw/zinc/61/53/47/449615347.db2.gz RNQQXIHRQLHDTJ-GJZGRUSLSA-N 2 1 341.496 1.497 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCc2cccnc21 ZINC000617507340 449654965 /nfs/dbraw/zinc/65/49/65/449654965.db2.gz SJBDDZDFSMTHSL-DOTOQJQBSA-N 2 1 332.492 1.890 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCc2cccnc21 ZINC000617507340 449654971 /nfs/dbraw/zinc/65/49/71/449654971.db2.gz SJBDDZDFSMTHSL-DOTOQJQBSA-N 2 1 332.492 1.890 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc2n[nH]cc2c1 ZINC000617506925 449657099 /nfs/dbraw/zinc/65/70/99/449657099.db2.gz CKMJUUMKBBVNIL-AWEZNQCLSA-N 2 1 331.464 1.494 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc2n[nH]cc2c1 ZINC000617506925 449657104 /nfs/dbraw/zinc/65/71/04/449657104.db2.gz CKMJUUMKBBVNIL-AWEZNQCLSA-N 2 1 331.464 1.494 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1COc2ccccc2O1 ZINC000617508232 449659914 /nfs/dbraw/zinc/65/99/14/449659914.db2.gz YVDCXVQQBFWFCM-HOTGVXAUSA-N 2 1 349.475 1.605 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1COc2ccccc2O1 ZINC000617508232 449659918 /nfs/dbraw/zinc/65/99/18/449659918.db2.gz YVDCXVQQBFWFCM-HOTGVXAUSA-N 2 1 349.475 1.605 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)o1 ZINC000614508405 449660066 /nfs/dbraw/zinc/66/00/66/449660066.db2.gz VILHIOFHHXSEIM-OAHLLOKOSA-N 2 1 334.464 1.241 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000601027542 449660669 /nfs/dbraw/zinc/66/06/69/449660669.db2.gz PNYYEWVICNHNDB-QGZVFWFLSA-N 2 1 331.460 1.729 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602583912 449687232 /nfs/dbraw/zinc/68/72/32/449687232.db2.gz VODPADLNLAUMLX-UAGQMJEPSA-N 2 1 347.459 1.151 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[NH+](C)C ZINC000617700447 449744991 /nfs/dbraw/zinc/74/49/91/449744991.db2.gz DZPINNLOHRVTIO-QZTJIDSGSA-N 2 1 333.476 1.456 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617700781 449747789 /nfs/dbraw/zinc/74/77/89/449747789.db2.gz LDESQOWNSSJMEO-GPMSIDNRSA-N 2 1 345.487 1.742 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000594949831 449817869 /nfs/dbraw/zinc/81/78/69/449817869.db2.gz QQIALEIWSLZCDX-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000594949831 449817878 /nfs/dbraw/zinc/81/78/78/449817878.db2.gz QQIALEIWSLZCDX-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000594949831 449817886 /nfs/dbraw/zinc/81/78/86/449817886.db2.gz QQIALEIWSLZCDX-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H](CCNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)[NH+](C)C ZINC000617753950 449818235 /nfs/dbraw/zinc/81/82/35/449818235.db2.gz MNEUDTUDCNJKAU-MRXNPFEDSA-N 2 1 332.492 1.504 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000617766265 449829382 /nfs/dbraw/zinc/82/93/82/449829382.db2.gz DGMCXDKPQUAKKC-SFHVURJKSA-N 2 1 347.507 1.046 20 0 EDADMP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000617766265 449829389 /nfs/dbraw/zinc/82/93/89/449829389.db2.gz DGMCXDKPQUAKKC-SFHVURJKSA-N 2 1 347.507 1.046 20 0 EDADMP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000608483218 449854212 /nfs/dbraw/zinc/85/42/12/449854212.db2.gz ISCKPHOCUZUTOF-HNNXBMFYSA-N 2 1 346.475 1.727 20 0 EDADMP C[C@H]1COCC[N@H+]1C1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000615083304 449942382 /nfs/dbraw/zinc/94/23/82/449942382.db2.gz FFKFLSMBIRCOBC-INIZCTEOSA-N 2 1 349.519 1.963 20 0 EDADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC000615089347 449950274 /nfs/dbraw/zinc/95/02/74/449950274.db2.gz JBPOCYFPJQYVOZ-GDBMZVCRSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000615089347 449950276 /nfs/dbraw/zinc/95/02/76/449950276.db2.gz JBPOCYFPJQYVOZ-GDBMZVCRSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000615089347 449950282 /nfs/dbraw/zinc/95/02/82/449950282.db2.gz JBPOCYFPJQYVOZ-GDBMZVCRSA-N 2 1 341.521 1.135 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612970871 449964361 /nfs/dbraw/zinc/96/43/61/449964361.db2.gz MAUVEIZQEPRNFS-HNNXBMFYSA-N 2 1 334.489 1.548 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612970871 449964365 /nfs/dbraw/zinc/96/43/65/449964365.db2.gz MAUVEIZQEPRNFS-HNNXBMFYSA-N 2 1 334.489 1.548 20 0 EDADMP C[NH+](C)CC1(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC000615270186 450033807 /nfs/dbraw/zinc/03/38/07/450033807.db2.gz PCQPICVYHLXNEW-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C1([NH+](C)C)CC1 ZINC000613719281 450277411 /nfs/dbraw/zinc/27/74/11/450277411.db2.gz DYOLDQLIXXKBDQ-SFHVURJKSA-N 2 1 331.460 1.176 20 0 EDADMP C[C@@H]1CN(C(C)(C)CNC(=O)N[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000618549533 450239034 /nfs/dbraw/zinc/23/90/34/450239034.db2.gz AYXQTODVPJWDPZ-ZNMIVQPWSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000618549533 450239041 /nfs/dbraw/zinc/23/90/41/450239041.db2.gz AYXQTODVPJWDPZ-ZNMIVQPWSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000618549533 450239047 /nfs/dbraw/zinc/23/90/47/450239047.db2.gz AYXQTODVPJWDPZ-ZNMIVQPWSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000618549533 450239052 /nfs/dbraw/zinc/23/90/52/450239052.db2.gz AYXQTODVPJWDPZ-ZNMIVQPWSA-N 2 1 326.485 1.268 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000618550769 450239461 /nfs/dbraw/zinc/23/94/61/450239461.db2.gz IVKHWLDXKKOZON-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000619894080 450361082 /nfs/dbraw/zinc/36/10/82/450361082.db2.gz BQHFSJNKJPROEH-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000619894080 450361085 /nfs/dbraw/zinc/36/10/85/450361085.db2.gz BQHFSJNKJPROEH-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP O=C(NCCCC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000623465806 450525936 /nfs/dbraw/zinc/52/59/36/450525936.db2.gz FPQSZSWLFJYJGY-KRWDZBQOSA-N 2 1 338.496 1.415 20 0 EDADMP CC(C[NH+]1C[C@@H]2CCC[C@]2(CO)C1)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626014919 450554096 /nfs/dbraw/zinc/55/40/96/450554096.db2.gz ZPTFLCXLWXKDDW-VNTMZGSJSA-N 2 1 336.520 1.811 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000623719706 450572366 /nfs/dbraw/zinc/57/23/66/450572366.db2.gz HJCKFMLKXGYMCB-RDJZCZTQSA-N 2 1 348.491 1.909 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000623719706 450572367 /nfs/dbraw/zinc/57/23/67/450572367.db2.gz HJCKFMLKXGYMCB-RDJZCZTQSA-N 2 1 348.491 1.909 20 0 EDADMP CN(CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000620895465 450556180 /nfs/dbraw/zinc/55/61/80/450556180.db2.gz YDSUAXJAFPBUDC-UHFFFAOYSA-N 2 1 339.443 1.908 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC000620971385 450567408 /nfs/dbraw/zinc/56/74/08/450567408.db2.gz HYJRDNVHNWEGNS-QZTJIDSGSA-N 2 1 337.508 1.963 20 0 EDADMP [NH3+]CCCOCC[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000629401609 450650788 /nfs/dbraw/zinc/65/07/88/450650788.db2.gz UFJYDKKNDKVBGU-UHFFFAOYSA-N 2 1 327.791 1.515 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631579260 450664859 /nfs/dbraw/zinc/66/48/59/450664859.db2.gz FQVRJOURIDIGGC-GOSISDBHSA-N 2 1 330.476 1.991 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)c2C1 ZINC000633037131 450632862 /nfs/dbraw/zinc/63/28/62/450632862.db2.gz KWFDDBFGLQQVTG-GXTWGEPZSA-N 2 1 330.432 1.299 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)c2C1 ZINC000633037131 450632865 /nfs/dbraw/zinc/63/28/65/450632865.db2.gz KWFDDBFGLQQVTG-GXTWGEPZSA-N 2 1 330.432 1.299 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000629452604 450694861 /nfs/dbraw/zinc/69/48/61/450694861.db2.gz PIPXKYGWIMFHCW-AWEZNQCLSA-N 2 1 326.444 1.980 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000629452604 450694866 /nfs/dbraw/zinc/69/48/66/450694866.db2.gz PIPXKYGWIMFHCW-AWEZNQCLSA-N 2 1 326.444 1.980 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000629452604 450694873 /nfs/dbraw/zinc/69/48/73/450694873.db2.gz PIPXKYGWIMFHCW-AWEZNQCLSA-N 2 1 326.444 1.980 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000629452604 450694882 /nfs/dbraw/zinc/69/48/82/450694882.db2.gz PIPXKYGWIMFHCW-AWEZNQCLSA-N 2 1 326.444 1.980 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1c[nH+]ccc1N ZINC000629549763 450730830 /nfs/dbraw/zinc/73/08/30/450730830.db2.gz IADUZXPKWJVNOY-ZBFHGGJFSA-N 2 1 327.432 1.441 20 0 EDADMP COc1cc(OC)cc(N2CC[C@@H]([NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)c1 ZINC000629565925 450739158 /nfs/dbraw/zinc/73/91/58/450739158.db2.gz QSNQKNKSLCFISP-NVXWUHKLSA-N 2 1 349.475 1.329 20 0 EDADMP CCOCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000629573026 450742702 /nfs/dbraw/zinc/74/27/02/450742702.db2.gz BWKQSXCKZRGCNG-LJQANCHMSA-N 2 1 345.487 1.834 20 0 EDADMP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000635222697 450765873 /nfs/dbraw/zinc/76/58/73/450765873.db2.gz GPONHRNSSGFJCT-UHFFFAOYSA-N 2 1 345.487 1.519 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631780211 450770395 /nfs/dbraw/zinc/77/03/95/450770395.db2.gz SDZGAKHSLPATRG-INIZCTEOSA-N 2 1 339.505 1.173 20 0 EDADMP O=C(CC[C@@H]1CCC[NH2+]C1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000621641264 450806988 /nfs/dbraw/zinc/80/69/88/450806988.db2.gz FNGWSPDYFZDIMI-KRWDZBQOSA-N 2 1 345.487 1.915 20 0 EDADMP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C[C@H]1C[NH3+] ZINC000631840693 450810862 /nfs/dbraw/zinc/81/08/62/450810862.db2.gz UOWXYZAYGPSZGD-IXDOHACOSA-N 2 1 330.476 1.156 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C[C@H]1C[NH3+] ZINC000631840693 450810867 /nfs/dbraw/zinc/81/08/67/450810867.db2.gz UOWXYZAYGPSZGD-IXDOHACOSA-N 2 1 330.476 1.156 20 0 EDADMP FC1(F)Oc2cccc(CC[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)c2O1 ZINC000631827734 450801102 /nfs/dbraw/zinc/80/11/02/450801102.db2.gz VKOQNZBWYBGWFE-CQSZACIVSA-N 2 1 339.386 1.530 20 0 EDADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO)C1CCC1 ZINC000629979002 450929716 /nfs/dbraw/zinc/92/97/16/450929716.db2.gz NCCBWMABIJQJML-MJGOQNOKSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1CCC1 ZINC000629979002 450929720 /nfs/dbraw/zinc/92/97/20/450929720.db2.gz NCCBWMABIJQJML-MJGOQNOKSA-N 2 1 345.487 1.470 20 0 EDADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C1CCC1 ZINC000629979002 450929726 /nfs/dbraw/zinc/92/97/26/450929726.db2.gz NCCBWMABIJQJML-MJGOQNOKSA-N 2 1 345.487 1.470 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000630035312 450967117 /nfs/dbraw/zinc/96/71/17/450967117.db2.gz CWFLGOQAYBAEOW-CEXWTWQISA-N 2 1 339.524 1.000 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000630035312 450967125 /nfs/dbraw/zinc/96/71/25/450967125.db2.gz CWFLGOQAYBAEOW-CEXWTWQISA-N 2 1 339.524 1.000 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000626923358 451007548 /nfs/dbraw/zinc/00/75/48/451007548.db2.gz RDAUSQKCGYWMDA-YSIASYRMSA-N 2 1 342.487 1.902 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635562085 451060701 /nfs/dbraw/zinc/06/07/01/451060701.db2.gz VVFWSHHCZVIVSA-QGZVFWFLSA-N 2 1 336.524 1.252 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627014672 451079037 /nfs/dbraw/zinc/07/90/37/451079037.db2.gz DDRKTGYPCMZJQL-MSOLQXFVSA-N 2 1 348.491 1.431 20 0 EDADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627014678 451079664 /nfs/dbraw/zinc/07/96/64/451079664.db2.gz DDRKTGYPCMZJQL-ZWKOTPCHSA-N 2 1 348.491 1.431 20 0 EDADMP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635581184 451080681 /nfs/dbraw/zinc/08/06/81/451080681.db2.gz DTQBSHWWKMVVNC-QAPCUYQASA-N 2 1 335.492 1.620 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000627019329 451083697 /nfs/dbraw/zinc/08/36/97/451083697.db2.gz ARYXAEHMILIUTN-USXIJHARSA-N 2 1 348.516 1.654 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000627019329 451083701 /nfs/dbraw/zinc/08/37/01/451083701.db2.gz ARYXAEHMILIUTN-USXIJHARSA-N 2 1 348.516 1.654 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000627038528 451095478 /nfs/dbraw/zinc/09/54/78/451095478.db2.gz JXFHQUUYBZCPSS-WBVHZDCISA-N 2 1 334.464 1.185 20 0 EDADMP Cc1cc(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc(N2CCCC2)[nH+]1 ZINC000627040146 451096937 /nfs/dbraw/zinc/09/69/37/451096937.db2.gz BVEFBANDFBRXJV-CJNGLKHVSA-N 2 1 331.464 1.930 20 0 EDADMP CO[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000628051485 451105688 /nfs/dbraw/zinc/10/56/88/451105688.db2.gz HMCYWXBMCCVVGA-YOEHRIQHSA-N 2 1 339.455 1.901 20 0 EDADMP CO[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000628051485 451105692 /nfs/dbraw/zinc/10/56/92/451105692.db2.gz HMCYWXBMCCVVGA-YOEHRIQHSA-N 2 1 339.455 1.901 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)C23CCC[NH+](CCC2)C3)C[C@H](C)O1 ZINC000635657815 451142742 /nfs/dbraw/zinc/14/27/42/451142742.db2.gz FATHJJWEGCPVAS-CALCHBBNSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000627174096 451165351 /nfs/dbraw/zinc/16/53/51/451165351.db2.gz ILTMOPUPBTVATK-SJORKVTESA-N 2 1 348.491 1.527 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000635685756 451168044 /nfs/dbraw/zinc/16/80/44/451168044.db2.gz PQWLWCWLXWXNAW-LJQANCHMSA-N 2 1 345.487 1.530 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC[N@H+]1CCOC ZINC000627202068 451184023 /nfs/dbraw/zinc/18/40/23/451184023.db2.gz NDWKLFLXAANCTF-BZUAXINKSA-N 2 1 326.485 1.269 20 0 EDADMP COCCOCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000635737721 451208614 /nfs/dbraw/zinc/20/86/14/451208614.db2.gz FEIHCVUIKFSAEE-SFHVURJKSA-N 2 1 349.475 1.274 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000635737721 451208616 /nfs/dbraw/zinc/20/86/16/451208616.db2.gz FEIHCVUIKFSAEE-SFHVURJKSA-N 2 1 349.475 1.274 20 0 EDADMP COCCOCC[NH+](C)CCC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000635737721 451208618 /nfs/dbraw/zinc/20/86/18/451208618.db2.gz FEIHCVUIKFSAEE-SFHVURJKSA-N 2 1 349.475 1.274 20 0 EDADMP COCCOCC[NH+](C)CCC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000635737721 451208620 /nfs/dbraw/zinc/20/86/20/451208620.db2.gz FEIHCVUIKFSAEE-SFHVURJKSA-N 2 1 349.475 1.274 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000627252567 451210415 /nfs/dbraw/zinc/21/04/15/451210415.db2.gz ZAKCQQRSVQPWLO-OAHLLOKOSA-N 2 1 346.479 1.128 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000635745311 451215331 /nfs/dbraw/zinc/21/53/31/451215331.db2.gz WGIALBIOMQLTFM-QZTJIDSGSA-N 2 1 345.487 1.906 20 0 EDADMP C[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)CC[N@H+](C2CCC2)C1 ZINC000632361347 451223954 /nfs/dbraw/zinc/22/39/54/451223954.db2.gz XMWPBHQYITYNGO-INIZCTEOSA-N 2 1 343.537 1.608 20 0 EDADMP C[C@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000638086242 451252081 /nfs/dbraw/zinc/25/20/81/451252081.db2.gz QOKSMKKKFYFSDM-IEBWSBKVSA-N 2 1 346.519 1.682 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000638089767 451255897 /nfs/dbraw/zinc/25/58/97/451255897.db2.gz CUOBTHZWUMXPPJ-KSZLIROESA-N 2 1 338.540 1.767 20 0 EDADMP COCC[NH2+]CCc1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000630595364 451269297 /nfs/dbraw/zinc/26/92/97/451269297.db2.gz CSUFZJOQXWSDJP-SFHVURJKSA-N 2 1 343.475 1.579 20 0 EDADMP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CCC3C[NH2+]C3)CC2)c1 ZINC000638103476 451270779 /nfs/dbraw/zinc/27/07/79/451270779.db2.gz OSHAPQXDKYMNAU-OAHLLOKOSA-N 2 1 331.460 1.900 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)C[C@H]1C ZINC000638120658 451289488 /nfs/dbraw/zinc/28/94/88/451289488.db2.gz BKRDFNSLOAKKHW-HFTRVMKXSA-N 2 1 333.476 1.896 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+]1CCC(C)CC1 ZINC000636550768 451291422 /nfs/dbraw/zinc/29/14/22/451291422.db2.gz FOZOWDVPHUSTQL-IAGOWNOFSA-N 2 1 340.512 1.109 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000638125854 451295773 /nfs/dbraw/zinc/29/57/73/451295773.db2.gz ZGGRELMVMNCFJJ-MXSMSXNCSA-N 2 1 333.476 1.860 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000636556935 451299335 /nfs/dbraw/zinc/29/93/35/451299335.db2.gz IWEBLJDNIOVSBG-ROUUACIJSA-N 2 1 346.475 1.189 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]([NH3+])CCC(C)C)CC2)nc(C)[nH+]1 ZINC000638131191 451301466 /nfs/dbraw/zinc/30/14/66/451301466.db2.gz BVSQYPDXKHINTB-INIZCTEOSA-N 2 1 333.480 1.942 20 0 EDADMP CC1([NH3+])CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000638196233 451350427 /nfs/dbraw/zinc/35/04/27/451350427.db2.gz RJDUBBKBWWJLCN-UHFFFAOYSA-N 3 1 344.503 1.710 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000638258510 451384526 /nfs/dbraw/zinc/38/45/26/451384526.db2.gz JJJMNDYTHQMDGY-DOTOQJQBSA-N 2 1 330.407 1.840 20 0 EDADMP C[N@@H+]1CCCC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000628753412 451397805 /nfs/dbraw/zinc/39/78/05/451397805.db2.gz YBQUTOJXNGUHGT-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP C[N@H+]1CCCC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000628753412 451397811 /nfs/dbraw/zinc/39/78/11/451397811.db2.gz YBQUTOJXNGUHGT-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000628753412 451397815 /nfs/dbraw/zinc/39/78/15/451397815.db2.gz YBQUTOJXNGUHGT-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CCCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000628753412 451397819 /nfs/dbraw/zinc/39/78/19/451397819.db2.gz YBQUTOJXNGUHGT-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000638287317 451404384 /nfs/dbraw/zinc/40/43/84/451404384.db2.gz WOQLMFGJIWTQHS-SZMVWBNQSA-N 2 1 331.460 1.508 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000638287954 451404913 /nfs/dbraw/zinc/40/49/13/451404913.db2.gz YEYFJOJVUBJOPM-CYGHRXIMSA-N 2 1 333.476 1.718 20 0 EDADMP C[NH2+][C@@H](C)Cc1noc(CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000634556434 451405077 /nfs/dbraw/zinc/40/50/77/451405077.db2.gz SMCIIDQTNUMVDO-HNNXBMFYSA-N 3 1 343.475 1.756 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638335313 451439561 /nfs/dbraw/zinc/43/95/61/451439561.db2.gz LUQRGBDJZACFPL-SNVBAGLBSA-N 2 1 328.463 1.326 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)CC[N@H+]1C ZINC000630809727 451414406 /nfs/dbraw/zinc/41/44/06/451414406.db2.gz GHZURAQLAWPJDZ-GOEBONIOSA-N 2 1 331.464 1.502 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000630809727 451414410 /nfs/dbraw/zinc/41/44/10/451414410.db2.gz GHZURAQLAWPJDZ-GOEBONIOSA-N 3 1 331.464 1.502 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000630809727 451414415 /nfs/dbraw/zinc/41/44/15/451414415.db2.gz GHZURAQLAWPJDZ-GOEBONIOSA-N 3 1 331.464 1.502 20 0 EDADMP CCOCC[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634644767 451438790 /nfs/dbraw/zinc/43/87/90/451438790.db2.gz AYVYUBMRWPKCKY-FQEVSTJZSA-N 2 1 347.503 1.278 20 0 EDADMP CCOCC[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634644767 451438793 /nfs/dbraw/zinc/43/87/93/451438793.db2.gz AYVYUBMRWPKCKY-FQEVSTJZSA-N 2 1 347.503 1.278 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638346792 451449408 /nfs/dbraw/zinc/44/94/08/451449408.db2.gz GRGSFTNCFCLZRO-SFHVURJKSA-N 2 1 346.519 1.860 20 0 EDADMP CO[C@](C)(C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000638365415 451463060 /nfs/dbraw/zinc/46/30/60/451463060.db2.gz ZXMDENNUSQPXEP-HXUWFJFHSA-N 2 1 345.487 1.979 20 0 EDADMP [NH3+]C1(CC(=O)NCCC[NH2+]C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638373650 451470021 /nfs/dbraw/zinc/47/00/21/451470021.db2.gz ACPRSKXNVKIYEQ-UHFFFAOYSA-N 3 1 344.503 1.628 20 0 EDADMP C[NH+]1CCC(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634702621 451477788 /nfs/dbraw/zinc/47/77/88/451477788.db2.gz JDGBMUJAZBKSDV-FQEVSTJZSA-N 3 1 331.504 1.945 20 0 EDADMP C[NH+]1CCC(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634702621 451477790 /nfs/dbraw/zinc/47/77/90/451477790.db2.gz JDGBMUJAZBKSDV-FQEVSTJZSA-N 3 1 331.504 1.945 20 0 EDADMP COCC1(CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000638394813 451484727 /nfs/dbraw/zinc/48/47/27/451484727.db2.gz JTSIVVCPPYMROJ-UHFFFAOYSA-N 2 1 345.487 1.913 20 0 EDADMP CCNC(=O)c1cccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638397758 451487818 /nfs/dbraw/zinc/48/78/18/451487818.db2.gz HCQBTEDFWZFURH-UHFFFAOYSA-N 2 1 333.476 1.761 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000634710995 451489893 /nfs/dbraw/zinc/48/98/93/451489893.db2.gz HSNBPNUOEDSZMY-BQFCYCMXSA-N 2 1 340.508 1.522 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000638400633 451489945 /nfs/dbraw/zinc/48/99/45/451489945.db2.gz KGTYHJNOEKWQQG-QZTJIDSGSA-N 2 1 346.519 1.682 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000638400633 451489950 /nfs/dbraw/zinc/48/99/50/451489950.db2.gz KGTYHJNOEKWQQG-QZTJIDSGSA-N 2 1 346.519 1.682 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638400633 451489953 /nfs/dbraw/zinc/48/99/53/451489953.db2.gz KGTYHJNOEKWQQG-QZTJIDSGSA-N 2 1 346.519 1.682 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000638400633 451489959 /nfs/dbraw/zinc/48/99/59/451489959.db2.gz KGTYHJNOEKWQQG-QZTJIDSGSA-N 2 1 346.519 1.682 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638400633 451489963 /nfs/dbraw/zinc/48/99/63/451489963.db2.gz KGTYHJNOEKWQQG-QZTJIDSGSA-N 2 1 346.519 1.682 20 0 EDADMP OCCC[N@H+]1CCC[C@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634720267 451500250 /nfs/dbraw/zinc/50/02/50/451500250.db2.gz HPQJDAYCJZWOSG-VQTJNVASSA-N 2 1 347.503 1.060 20 0 EDADMP OCCC[NH+]1CCC[C@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634720267 451500253 /nfs/dbraw/zinc/50/02/53/451500253.db2.gz HPQJDAYCJZWOSG-VQTJNVASSA-N 2 1 347.503 1.060 20 0 EDADMP OCCC[NH+]1CCC[C@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634720267 451500257 /nfs/dbraw/zinc/50/02/57/451500257.db2.gz HPQJDAYCJZWOSG-VQTJNVASSA-N 2 1 347.503 1.060 20 0 EDADMP OC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721242 451501399 /nfs/dbraw/zinc/50/13/99/451501399.db2.gz VOZNJLHUXIZVKN-SFTDATJTSA-N 2 1 340.467 1.817 20 0 EDADMP OC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721242 451501404 /nfs/dbraw/zinc/50/14/04/451501404.db2.gz VOZNJLHUXIZVKN-SFTDATJTSA-N 2 1 340.467 1.817 20 0 EDADMP C[C@@]1(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000638439044 451517729 /nfs/dbraw/zinc/51/77/29/451517729.db2.gz GVDPNSJBPVZILT-GOSISDBHSA-N 3 1 330.476 1.238 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634781590 451543971 /nfs/dbraw/zinc/54/39/71/451543971.db2.gz HBBODXIBGIMRSJ-QRQLOZEOSA-N 2 1 343.471 1.470 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634781590 451543976 /nfs/dbraw/zinc/54/39/76/451543976.db2.gz HBBODXIBGIMRSJ-QRQLOZEOSA-N 2 1 343.471 1.470 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000638554736 451574149 /nfs/dbraw/zinc/57/41/49/451574149.db2.gz XNKAFZRTAARNIR-KRWDZBQOSA-N 2 1 330.476 1.267 20 0 EDADMP COc1cncc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1C ZINC000631068236 451566923 /nfs/dbraw/zinc/56/69/23/451566923.db2.gz FPNIRNKAGGWKRK-UHFFFAOYSA-N 2 1 334.464 1.431 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCN3CCOCC3)cc2)CC[N@H+]1C ZINC000631079356 451572659 /nfs/dbraw/zinc/57/26/59/451572659.db2.gz GGSSNTIRSPCUKF-MJGOQNOKSA-N 2 1 347.503 1.970 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(CCOc3cccc(Cl)c3)nn2)CC1 ZINC000640796462 451588875 /nfs/dbraw/zinc/58/88/75/451588875.db2.gz CYQUFAIQZSHOAC-UHFFFAOYSA-N 2 1 349.866 1.976 20 0 EDADMP CNS(=O)(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000631229278 451650763 /nfs/dbraw/zinc/65/07/63/451650763.db2.gz IEIKIMKKKQASDK-WBVHZDCISA-N 2 1 339.505 1.568 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638800531 451695041 /nfs/dbraw/zinc/69/50/41/451695041.db2.gz NBIYNNSEYVPSGZ-AOIWGVFYSA-N 2 1 331.460 1.392 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@H]2CC)[C@H](C)C1 ZINC000631325727 451696174 /nfs/dbraw/zinc/69/61/74/451696174.db2.gz BBFKWSPDFMTKCE-TVFCKZIOSA-N 2 1 339.524 1.970 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@H]2CC)[C@H](C)C1 ZINC000631325727 451696176 /nfs/dbraw/zinc/69/61/76/451696176.db2.gz BBFKWSPDFMTKCE-TVFCKZIOSA-N 2 1 339.524 1.970 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@H]2CC)[C@H](C)C1 ZINC000631325727 451696177 /nfs/dbraw/zinc/69/61/77/451696177.db2.gz BBFKWSPDFMTKCE-TVFCKZIOSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638834527 451705434 /nfs/dbraw/zinc/70/54/34/451705434.db2.gz HDAWNXHYHVOCIF-MJKGWSOKSA-N 2 1 327.472 1.870 20 0 EDADMP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CCCC[NH2+]1 ZINC000639001406 451750231 /nfs/dbraw/zinc/75/02/31/451750231.db2.gz KXLNYZCRVGCVKJ-QUCCMNQESA-N 2 1 345.487 1.844 20 0 EDADMP CC[NH+]1CCN(c2cccc(NCc3c[nH+]c(N)nc3N)c2)CC1 ZINC000639056949 451759093 /nfs/dbraw/zinc/75/90/93/451759093.db2.gz JUMHIQBRXJGXTG-UHFFFAOYSA-N 2 1 327.436 1.056 20 0 EDADMP c1c([C@@H]2CCC[NH2+]C2)nnn1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000641181032 451771234 /nfs/dbraw/zinc/77/12/34/451771234.db2.gz PBWUNAPCEGCOMO-GOSISDBHSA-N 2 1 341.459 1.626 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641215181 451784196 /nfs/dbraw/zinc/78/41/96/451784196.db2.gz ORMAFZWVYROSST-IAGOWNOFSA-N 2 1 329.448 1.238 20 0 EDADMP Cc1cnc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)o1 ZINC000639170183 451784396 /nfs/dbraw/zinc/78/43/96/451784396.db2.gz XMAIXIZTSJHHKO-UHFFFAOYSA-N 2 1 334.464 1.797 20 0 EDADMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000646922195 451938712 /nfs/dbraw/zinc/93/87/12/451938712.db2.gz JRXFKQATYYEDBK-FHWLQOOXSA-N 2 1 343.471 1.440 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000646922195 451938721 /nfs/dbraw/zinc/93/87/21/451938721.db2.gz JRXFKQATYYEDBK-FHWLQOOXSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000646922195 451938730 /nfs/dbraw/zinc/93/87/30/451938730.db2.gz JRXFKQATYYEDBK-FHWLQOOXSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000646922195 451938738 /nfs/dbraw/zinc/93/87/38/451938738.db2.gz JRXFKQATYYEDBK-FHWLQOOXSA-N 2 1 343.471 1.440 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@]2(N)CC[NH+](C)C2)cc1 ZINC000649288268 451963159 /nfs/dbraw/zinc/96/31/59/451963159.db2.gz HBJICGLIEPEVDC-JXFKEZNVSA-N 2 1 344.503 1.710 20 0 EDADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@]2(N)CC[N@H+](C)C2)cc1 ZINC000649288268 451963163 /nfs/dbraw/zinc/96/31/63/451963163.db2.gz HBJICGLIEPEVDC-JXFKEZNVSA-N 2 1 344.503 1.710 20 0 EDADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@]2(N)CC[N@@H+](C)C2)cc1 ZINC000649288268 451963170 /nfs/dbraw/zinc/96/31/70/451963170.db2.gz HBJICGLIEPEVDC-JXFKEZNVSA-N 2 1 344.503 1.710 20 0 EDADMP C[N@@H+](CCCNC(=O)CN1CCCC[C@H]([NH3+])C1=O)C1CCCCC1 ZINC000649293706 451969247 /nfs/dbraw/zinc/96/92/47/451969247.db2.gz FQMOPQSUDOCDGG-INIZCTEOSA-N 2 1 338.496 1.097 20 0 EDADMP COCCC1(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CC[NH2+]CC1 ZINC000649303342 451979435 /nfs/dbraw/zinc/97/94/35/451979435.db2.gz WETKQFRNMLKCCQ-UHFFFAOYSA-N 2 1 339.524 1.972 20 0 EDADMP COC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649305096 451981522 /nfs/dbraw/zinc/98/15/22/451981522.db2.gz CVMICXFENDASER-ICSRJNTNSA-N 2 1 345.487 1.783 20 0 EDADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@]2(N)CC[N@@H+](C)C2)cc1Cl ZINC000649305883 451983063 /nfs/dbraw/zinc/98/30/63/451983063.db2.gz JTLWWGVZXHCZNV-MRXNPFEDSA-N 2 1 340.855 1.252 20 0 EDADMP C[N@H+]1CC[C@](N)(C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000649308943 451986195 /nfs/dbraw/zinc/98/61/95/451986195.db2.gz JCWGREDGNGPANE-RHSMWYFYSA-N 2 1 336.505 1.109 20 0 EDADMP C[NH+]1CC[C@](N)(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000649308943 451986197 /nfs/dbraw/zinc/98/61/97/451986197.db2.gz JCWGREDGNGPANE-RHSMWYFYSA-N 2 1 336.505 1.109 20 0 EDADMP C[NH+]1CC[C@](N)(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000649308943 451986199 /nfs/dbraw/zinc/98/61/99/451986199.db2.gz JCWGREDGNGPANE-RHSMWYFYSA-N 2 1 336.505 1.109 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CC[NH2+][C@H]3C)cc2)CC1 ZINC000649308587 451986257 /nfs/dbraw/zinc/98/62/57/451986257.db2.gz OZKWYOPKUBUWEY-YOEHRIQHSA-N 2 1 344.459 1.401 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C3([NH3+])CCC3)cc2)CC1 ZINC000649308580 451987308 /nfs/dbraw/zinc/98/73/08/451987308.db2.gz OVZFTKXDMDITSS-UHFFFAOYSA-N 2 1 330.432 1.284 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N2CCC(C)([NH3+])CC2)c2ccccc2)CC1 ZINC000646993357 451992188 /nfs/dbraw/zinc/99/21/88/451992188.db2.gz SLDMICDZPCJAOP-QGZVFWFLSA-N 2 1 330.476 1.315 20 0 EDADMP C[C@@H](c1ccc(NC(=O)[C@@H]2C[NH2+]CCOC2)cc1)[NH+]1CCOCC1 ZINC000649322636 452002025 /nfs/dbraw/zinc/00/20/25/452002025.db2.gz BOBWYXGOYAGWEU-GOEBONIOSA-N 2 1 333.432 1.254 20 0 EDADMP O[C@@H](COC[C@H]1CCCO1)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682101 452021588 /nfs/dbraw/zinc/02/15/88/452021588.db2.gz KSCGGKVSOMKHRW-QZTJIDSGSA-N 2 1 335.448 1.150 20 0 EDADMP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000651700907 452021840 /nfs/dbraw/zinc/02/18/40/452021840.db2.gz YUQHBTCBUIDIBX-INIZCTEOSA-N 2 1 327.513 1.970 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc2)CC1 ZINC000649365050 452043355 /nfs/dbraw/zinc/04/33/55/452043355.db2.gz RATUTTRUIOFBNA-HNNXBMFYSA-N 2 1 340.418 1.146 20 0 EDADMP C[C@H](CC(=O)NC1CCC([NH+]2CCNCC2)CC1)C1CC[NH2+]CC1 ZINC000647085598 452052403 /nfs/dbraw/zinc/05/24/03/452052403.db2.gz YWDPDIDTUUNFRA-FAEJEUNOSA-N 2 1 336.524 1.345 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)CC1 ZINC000639758871 452097773 /nfs/dbraw/zinc/09/77/73/452097773.db2.gz XYAHLUNWXDWQFV-UHFFFAOYSA-N 2 1 345.443 1.449 20 0 EDADMP CN(CCC[NH3+])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637855618 452115854 /nfs/dbraw/zinc/11/58/54/452115854.db2.gz WNUXTDMPOSYVFW-HKUYNNGSSA-N 2 1 331.460 1.332 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000645264813 452243449 /nfs/dbraw/zinc/24/34/49/452243449.db2.gz GFULJWPVAOHOSM-QGZVFWFLSA-N 2 1 331.460 1.728 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000645264813 452243452 /nfs/dbraw/zinc/24/34/52/452243452.db2.gz GFULJWPVAOHOSM-QGZVFWFLSA-N 2 1 331.460 1.728 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1)[C@@H]1CCC[NH2+]1 ZINC000647509560 452245900 /nfs/dbraw/zinc/24/59/00/452245900.db2.gz OYNKGDHJSDHAPW-RDJZCZTQSA-N 2 1 341.459 1.415 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000647527356 452262269 /nfs/dbraw/zinc/26/22/69/452262269.db2.gz UGYBQMPHIOIFPW-RBUKOAKNSA-N 2 1 329.444 1.240 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000647527356 452262284 /nfs/dbraw/zinc/26/22/84/452262284.db2.gz UGYBQMPHIOIFPW-RBUKOAKNSA-N 2 1 329.444 1.240 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000647530648 452265760 /nfs/dbraw/zinc/26/57/60/452265760.db2.gz YDXVWKKVQSKXDF-UXHICEINSA-N 2 1 346.446 1.812 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000647530648 452265768 /nfs/dbraw/zinc/26/57/68/452265768.db2.gz YDXVWKKVQSKXDF-UXHICEINSA-N 2 1 346.446 1.812 20 0 EDADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000641796621 452271182 /nfs/dbraw/zinc/27/11/82/452271182.db2.gz DTKXOVOUZLPBMO-MRXNPFEDSA-N 2 1 342.443 1.937 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccccc1N1CCCC1=O ZINC000641803062 452276776 /nfs/dbraw/zinc/27/67/76/452276776.db2.gz CRSSYFPPBQDKDS-HUUCEWRRSA-N 2 1 330.432 1.467 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3C[C@H]([NH3+])C3(C)C)C2=O)c1 ZINC000641801891 452277069 /nfs/dbraw/zinc/27/70/69/452277069.db2.gz GMSYYFUZTWQCSQ-JYJNAYRXSA-N 2 1 333.432 1.525 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCCc1cccc2cccnc21 ZINC000641802012 452278198 /nfs/dbraw/zinc/27/81/98/452278198.db2.gz XQJHQTPZXSLBAR-HOTGVXAUSA-N 2 1 326.444 1.609 20 0 EDADMP C[N@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)CC1CC[NH+](C)CC1 ZINC000638029950 452279872 /nfs/dbraw/zinc/27/98/72/452279872.db2.gz YEBHEVVKWGWEKG-UHFFFAOYSA-N 2 1 345.896 1.761 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1OC ZINC000641805802 452285791 /nfs/dbraw/zinc/28/57/91/452285791.db2.gz OPCYSOFSFNLKDD-IUIKQTSFSA-N 2 1 335.448 1.424 20 0 EDADMP CN1CCN(C(=O)CC[N@H+]2CCN(C)C[C@@H]2Cc2ccccc2)CC1 ZINC000649828551 452285989 /nfs/dbraw/zinc/28/59/89/452285989.db2.gz LPFIPXZIYCZMSK-IBGZPJMESA-N 2 1 344.503 1.009 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000659459472 452313679 /nfs/dbraw/zinc/31/36/79/452313679.db2.gz YURZTIODTOXSAB-IRXDYDNUSA-N 2 1 338.496 1.128 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C[C@@H](C)O1 ZINC000665757888 452326069 /nfs/dbraw/zinc/32/60/69/452326069.db2.gz ZECAQPQKZSBSOA-XHSDSOJGSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C[C@@H](C)O1 ZINC000665757888 452326083 /nfs/dbraw/zinc/32/60/83/452326083.db2.gz ZECAQPQKZSBSOA-XHSDSOJGSA-N 2 1 328.501 1.467 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665758236 452328946 /nfs/dbraw/zinc/32/89/46/452328946.db2.gz CCQGRBHKMFHRRA-IRXDYDNUSA-N 2 1 341.544 1.240 20 0 EDADMP CC[C@@]1(C)CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000665761552 452335086 /nfs/dbraw/zinc/33/50/86/452335086.db2.gz HPQBDERJEBYJFN-RDJZCZTQSA-N 2 1 328.501 1.469 20 0 EDADMP CC[C@@]1(C)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000665761552 452335100 /nfs/dbraw/zinc/33/51/00/452335100.db2.gz HPQBDERJEBYJFN-RDJZCZTQSA-N 2 1 328.501 1.469 20 0 EDADMP Cc1ccncc1CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665762571 452339373 /nfs/dbraw/zinc/33/93/73/452339373.db2.gz IYOXUXXFNUJMHG-INIZCTEOSA-N 2 1 335.496 1.803 20 0 EDADMP Cc1ccncc1CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665762571 452339384 /nfs/dbraw/zinc/33/93/84/452339384.db2.gz IYOXUXXFNUJMHG-INIZCTEOSA-N 2 1 335.496 1.803 20 0 EDADMP C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659482057 452340325 /nfs/dbraw/zinc/34/03/25/452340325.db2.gz UGDRXVVHINIUDE-VDHUWJSZSA-N 2 1 348.466 1.978 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659481210 452341502 /nfs/dbraw/zinc/34/15/02/452341502.db2.gz GTDOWONPFFBHFL-WAZRQNRBSA-N 2 1 328.460 1.558 20 0 EDADMP [NH3+]C1(CC(=O)NCC[NH+]2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638057879 452344246 /nfs/dbraw/zinc/34/42/46/452344246.db2.gz PKCLSFTXACAGPZ-UHFFFAOYSA-N 3 1 344.503 1.582 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000665764083 452349699 /nfs/dbraw/zinc/34/96/99/452349699.db2.gz UCZLREZYYCYWPU-KRWDZBQOSA-N 3 1 341.544 1.386 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000665764083 452349709 /nfs/dbraw/zinc/34/97/09/452349709.db2.gz UCZLREZYYCYWPU-KRWDZBQOSA-N 3 1 341.544 1.386 20 0 EDADMP C[C@H]1[C@@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000659493910 452356961 /nfs/dbraw/zinc/35/69/61/452356961.db2.gz YFKSMMPVJLBBBY-SVGFKBNWSA-N 2 1 334.439 1.730 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2)C1 ZINC000657597308 452364846 /nfs/dbraw/zinc/36/48/46/452364846.db2.gz SZNKOXQCTQTBTG-GOSISDBHSA-N 2 1 326.444 1.686 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NCCC2CC[NH2+]CC2)CCCO1 ZINC000652182984 452377018 /nfs/dbraw/zinc/37/70/18/452377018.db2.gz JTZQEYGYIXKHPB-HNNXBMFYSA-N 2 1 326.485 1.176 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000638070711 452378658 /nfs/dbraw/zinc/37/86/58/452378658.db2.gz VGHUBEJSZPCGET-GOSISDBHSA-N 2 1 333.476 1.946 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638075074 452385863 /nfs/dbraw/zinc/38/58/63/452385863.db2.gz QFZOTKSMXOMKJD-AWEZNQCLSA-N 2 1 326.444 1.832 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000659538111 452397262 /nfs/dbraw/zinc/39/72/62/452397262.db2.gz VTCHOWRLBAFFOK-FHLIZLRMSA-N 2 1 346.475 1.050 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659555865 452411124 /nfs/dbraw/zinc/41/11/24/452411124.db2.gz UNRIQTIZTLILHL-ZJIFWQFVSA-N 2 1 336.480 1.056 20 0 EDADMP C[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654361247 452412582 /nfs/dbraw/zinc/41/25/82/452412582.db2.gz IWRBVFKILFXMAT-KFWWJZLASA-N 2 1 338.496 1.410 20 0 EDADMP C[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654361247 452412586 /nfs/dbraw/zinc/41/25/86/452412586.db2.gz IWRBVFKILFXMAT-KFWWJZLASA-N 2 1 338.496 1.410 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000654373545 452424379 /nfs/dbraw/zinc/42/43/79/452424379.db2.gz LFUZQRNPUMTRMF-RHNCMZPLSA-N 2 1 330.476 1.684 20 0 EDADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647709575 452444341 /nfs/dbraw/zinc/44/43/41/452444341.db2.gz YVRPBXVTZXYIAP-SQNIBIBYSA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000647709575 452444345 /nfs/dbraw/zinc/44/43/45/452444345.db2.gz YVRPBXVTZXYIAP-SQNIBIBYSA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000647709575 452444347 /nfs/dbraw/zinc/44/43/47/452444347.db2.gz YVRPBXVTZXYIAP-SQNIBIBYSA-N 2 1 335.492 1.451 20 0 EDADMP C[C@@H](C(=O)NCCCCN1CC[NH+](C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000645478883 452448952 /nfs/dbraw/zinc/44/89/52/452448952.db2.gz SYIAORZIIXBEDQ-AEFFLSMTSA-N 2 1 332.492 1.466 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659609573 452466013 /nfs/dbraw/zinc/46/60/13/452466013.db2.gz KCDXAOMPZDWXLT-ZJIFWQFVSA-N 2 1 336.480 1.009 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659618062 452475427 /nfs/dbraw/zinc/47/54/27/452475427.db2.gz ZBWZBIBSPIBOGT-TVRKMHQQSA-N 2 1 328.460 1.654 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC(=O)N(CC)C2)[C@H](C)C1 ZINC000652297716 452480351 /nfs/dbraw/zinc/48/03/51/452480351.db2.gz XQMNBEWCYFADIL-ZACQAIPSSA-N 2 1 325.497 1.581 20 0 EDADMP Cc1cccc(C(=O)NCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655697019 452517434 /nfs/dbraw/zinc/51/74/34/452517434.db2.gz MKTDMXNNLYHTRF-LJQANCHMSA-N 2 1 345.487 1.958 20 0 EDADMP COc1ccc(Cl)c(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000652344625 452517643 /nfs/dbraw/zinc/51/76/43/452517643.db2.gz SPPYUCLYQLKBSY-UHFFFAOYSA-N 2 1 338.883 1.376 20 0 EDADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347263 452522301 /nfs/dbraw/zinc/52/23/01/452522301.db2.gz XFIZOLKFJLSLHY-LUKYLMHMSA-N 2 1 325.497 1.900 20 0 EDADMP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346886 452523814 /nfs/dbraw/zinc/52/38/14/452523814.db2.gz LALHMWATXHRVNC-MWDXBVQZSA-N 2 1 325.497 1.756 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3nc(CC(F)(F)F)no3)C2)C1 ZINC000652348682 452526674 /nfs/dbraw/zinc/52/66/74/452526674.db2.gz NAWDEXYUDBIMDD-UTUOFQBUSA-N 2 1 348.369 1.893 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3nc(CC(F)(F)F)no3)C2)C1 ZINC000652348682 452526687 /nfs/dbraw/zinc/52/66/87/452526687.db2.gz NAWDEXYUDBIMDD-UTUOFQBUSA-N 2 1 348.369 1.893 20 0 EDADMP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652361176 452540989 /nfs/dbraw/zinc/54/09/89/452540989.db2.gz ZBGQNVNMEXGWRR-CWQOZTLDSA-N 2 1 337.508 1.852 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482528 452554829 /nfs/dbraw/zinc/55/48/29/452554829.db2.gz NUYPDBRPFURRHD-LVQVYYBASA-N 2 1 342.528 1.760 20 0 EDADMP C[C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654482528 452554838 /nfs/dbraw/zinc/55/48/38/452554838.db2.gz NUYPDBRPFURRHD-LVQVYYBASA-N 2 1 342.528 1.760 20 0 EDADMP CS(=O)(=O)CCCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655756292 452559027 /nfs/dbraw/zinc/55/90/27/452559027.db2.gz QPHUABBSGJLSPX-MRXNPFEDSA-N 2 1 332.510 1.434 20 0 EDADMP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835376 452569168 /nfs/dbraw/zinc/56/91/68/452569168.db2.gz VXJGSUJSEAGYRR-CQSZACIVSA-N 2 1 338.883 1.182 20 0 EDADMP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835376 452569180 /nfs/dbraw/zinc/56/91/80/452569180.db2.gz VXJGSUJSEAGYRR-CQSZACIVSA-N 2 1 338.883 1.182 20 0 EDADMP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647835366 452570580 /nfs/dbraw/zinc/57/05/80/452570580.db2.gz VUHAFSOOSMTMQV-IAGOWNOFSA-N 2 1 346.519 1.652 20 0 EDADMP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647835366 452570588 /nfs/dbraw/zinc/57/05/88/452570588.db2.gz VUHAFSOOSMTMQV-IAGOWNOFSA-N 2 1 346.519 1.652 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000647836035 452573625 /nfs/dbraw/zinc/57/36/25/452573625.db2.gz ZQRUVIBVVTVYEV-INIZCTEOSA-N 2 1 336.867 1.282 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000647836035 452573634 /nfs/dbraw/zinc/57/36/34/452573634.db2.gz ZQRUVIBVVTVYEV-INIZCTEOSA-N 2 1 336.867 1.282 20 0 EDADMP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655781097 452574246 /nfs/dbraw/zinc/57/42/46/452574246.db2.gz SQACUMKYRMZICL-WMZOPIPTSA-N 2 1 345.487 1.996 20 0 EDADMP CC[NH+]1CCN(c2cnc(N3CC[N@H+](CC)C[C@@H]3C)cn2)[C@H](C)C1 ZINC000663906204 452634140 /nfs/dbraw/zinc/63/41/40/452634140.db2.gz USCSXLNIIODLBT-IYBDPMFKSA-N 2 1 332.496 1.537 20 0 EDADMP CC[NH+]1CCN(c2cnc(N3CC[N@@H+](CC)C[C@H]3C)cn2)[C@@H](C)C1 ZINC000663906204 452634150 /nfs/dbraw/zinc/63/41/50/452634150.db2.gz USCSXLNIIODLBT-IYBDPMFKSA-N 2 1 332.496 1.537 20 0 EDADMP [NH3+]C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655909811 452665491 /nfs/dbraw/zinc/66/54/91/452665491.db2.gz GNYXKSBTXHWYIM-QWHCGFSZSA-N 2 1 330.354 1.450 20 0 EDADMP C[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654596175 452684943 /nfs/dbraw/zinc/68/49/43/452684943.db2.gz KEVDDWQLGFKNDI-BKYIEACKSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654596175 452684951 /nfs/dbraw/zinc/68/49/51/452684951.db2.gz KEVDDWQLGFKNDI-BKYIEACKSA-N 2 1 340.512 1.656 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655927874 452696570 /nfs/dbraw/zinc/69/65/70/452696570.db2.gz KIDDYCGMXQUINI-ZDUSSCGKSA-N 2 1 346.353 1.832 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)[C@H]2CCOC2)[C@@H](C)C1 ZINC000658074032 452715761 /nfs/dbraw/zinc/71/57/61/452715761.db2.gz BSUGYEWVSNJMAM-XSLAGTTESA-N 2 1 328.497 1.765 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCCC3(C[NH3+])CC3)c2C1 ZINC000652634559 452791508 /nfs/dbraw/zinc/79/15/08/452791508.db2.gz JECMJDGXODKXNS-UHFFFAOYSA-N 2 1 344.459 1.596 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCCC3(C[NH3+])CC3)c2C1 ZINC000652634559 452791516 /nfs/dbraw/zinc/79/15/16/452791516.db2.gz JECMJDGXODKXNS-UHFFFAOYSA-N 2 1 344.459 1.596 20 0 EDADMP C[C@@H]1C[N@H+](CCN2CCN(C[C@H]3CCCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000659911393 452801150 /nfs/dbraw/zinc/80/11/50/452801150.db2.gz XSNHQEPBXWMXBI-CEXWTWQISA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1C[NH+](CCN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000659911393 452801158 /nfs/dbraw/zinc/80/11/58/452801158.db2.gz XSNHQEPBXWMXBI-CEXWTWQISA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H]1C[NH+](CCN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000659911393 452801165 /nfs/dbraw/zinc/80/11/65/452801165.db2.gz XSNHQEPBXWMXBI-CEXWTWQISA-N 2 1 338.540 1.198 20 0 EDADMP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H](C)CC[NH3+])C1CCCCC1 ZINC000652698960 452846851 /nfs/dbraw/zinc/84/68/51/452846851.db2.gz NFGQSKKTRNNEPL-AWEZNQCLSA-N 2 1 326.485 1.001 20 0 EDADMP CC(C)[C@H]([NH3+])CC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000648149161 452860638 /nfs/dbraw/zinc/86/06/38/452860638.db2.gz SCAKFNZFAHMACU-GOSISDBHSA-N 2 1 348.491 1.506 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654734256 452861249 /nfs/dbraw/zinc/86/12/49/452861249.db2.gz COBWWBPPDRNQMR-ULQDDVLXSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654734256 452861259 /nfs/dbraw/zinc/86/12/59/452861259.db2.gz COBWWBPPDRNQMR-ULQDDVLXSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654734256 452861269 /nfs/dbraw/zinc/86/12/69/452861269.db2.gz COBWWBPPDRNQMR-ULQDDVLXSA-N 2 1 338.496 1.149 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)COC2(C)C[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000648162104 452870900 /nfs/dbraw/zinc/87/09/00/452870900.db2.gz JZRYLLNOVWTEJN-ZBFHGGJFSA-N 2 1 337.851 1.580 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)COC2(C)C[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000648162104 452870908 /nfs/dbraw/zinc/87/09/08/452870908.db2.gz JZRYLLNOVWTEJN-ZBFHGGJFSA-N 2 1 337.851 1.580 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H](c2nccn2C)C(C)(C)CO)CC[N@H+]1C ZINC000664215409 452888698 /nfs/dbraw/zinc/88/86/98/452888698.db2.gz BMCCDXKYWWIKLB-MGPQQGTHSA-N 2 1 337.468 1.262 20 0 EDADMP O[C@H]1CC[N@@H+](C2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)C1 ZINC000662160094 452898273 /nfs/dbraw/zinc/89/82/73/452898273.db2.gz MKJGEPPJTSXAOP-INIZCTEOSA-N 2 1 348.443 1.715 20 0 EDADMP O[C@H]1CC[N@H+](C2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)C1 ZINC000662160094 452898284 /nfs/dbraw/zinc/89/82/84/452898284.db2.gz MKJGEPPJTSXAOP-INIZCTEOSA-N 2 1 348.443 1.715 20 0 EDADMP O=C(c1ccccc1F)N1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250938 452975201 /nfs/dbraw/zinc/97/52/01/452975201.db2.gz SRROILNETPGFAK-HNNXBMFYSA-N 2 1 347.434 1.495 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](CN3CCCC3=O)C2)cc1 ZINC000662315420 453034142 /nfs/dbraw/zinc/03/41/42/453034142.db2.gz FIFIHNASPHEJRN-RDJZCZTQSA-N 2 1 331.460 1.682 20 0 EDADMP C[N@H+](CCCCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000656308256 453048574 /nfs/dbraw/zinc/04/85/74/453048574.db2.gz WACYCASADLGNHF-QGZVFWFLSA-N 2 1 338.496 1.367 20 0 EDADMP C[N@@H+](CCCCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000656308256 453048581 /nfs/dbraw/zinc/04/85/81/453048581.db2.gz WACYCASADLGNHF-QGZVFWFLSA-N 2 1 338.496 1.367 20 0 EDADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000662337897 453055624 /nfs/dbraw/zinc/05/56/24/453055624.db2.gz NMPQAPJGYMXWBG-QGZVFWFLSA-N 2 1 340.475 1.636 20 0 EDADMP CCN(CC)CCS(=O)(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000660129167 453056028 /nfs/dbraw/zinc/05/60/28/453056028.db2.gz CTFAYDNSQBMTIA-QGZVFWFLSA-N 2 1 339.505 1.522 20 0 EDADMP CO[C@@H](C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CCC1 ZINC000662339018 453057032 /nfs/dbraw/zinc/05/70/32/453057032.db2.gz ZLXHTYDYHQHUCS-AEFFLSMTSA-N 2 1 347.507 1.814 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650859485 453059023 /nfs/dbraw/zinc/05/90/23/453059023.db2.gz HBLVPESPJKDSTD-DOTOQJQBSA-N 2 1 338.496 1.101 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650859485 453059035 /nfs/dbraw/zinc/05/90/35/453059035.db2.gz HBLVPESPJKDSTD-DOTOQJQBSA-N 2 1 338.496 1.101 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650859485 453059046 /nfs/dbraw/zinc/05/90/46/453059046.db2.gz HBLVPESPJKDSTD-DOTOQJQBSA-N 2 1 338.496 1.101 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650859485 453059059 /nfs/dbraw/zinc/05/90/59/453059059.db2.gz HBLVPESPJKDSTD-DOTOQJQBSA-N 2 1 338.496 1.101 20 0 EDADMP CN(C(=O)[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000644153832 453085379 /nfs/dbraw/zinc/08/53/79/453085379.db2.gz VQZWCSYQWPSKHC-HZPDHXFCSA-N 2 1 337.414 1.964 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000660155194 453086063 /nfs/dbraw/zinc/08/60/63/453086063.db2.gz MAMJGWGWGCCADQ-WCIQWLHISA-N 2 1 336.568 1.922 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000662383723 453093053 /nfs/dbraw/zinc/09/30/53/453093053.db2.gz MQRPSSWURKWHGX-MSOLQXFVSA-N 2 1 332.492 1.479 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000662383723 453093059 /nfs/dbraw/zinc/09/30/59/453093059.db2.gz MQRPSSWURKWHGX-MSOLQXFVSA-N 2 1 332.492 1.479 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000662383723 453093066 /nfs/dbraw/zinc/09/30/66/453093066.db2.gz MQRPSSWURKWHGX-MSOLQXFVSA-N 2 1 332.492 1.479 20 0 EDADMP O=C(N[C@@H]1CCC[NH2+]C1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662395542 453106065 /nfs/dbraw/zinc/10/60/65/453106065.db2.gz MSXXHRFNCUGEJT-SSDOTTSWSA-N 2 1 330.251 1.596 20 0 EDADMP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103622 453107626 /nfs/dbraw/zinc/10/76/26/453107626.db2.gz ZAKNUVFYAJJQFB-BRWVUGGUSA-N 2 1 337.508 1.961 20 0 EDADMP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103622 453107630 /nfs/dbraw/zinc/10/76/30/453107630.db2.gz ZAKNUVFYAJJQFB-BRWVUGGUSA-N 2 1 337.508 1.961 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000664453198 453109545 /nfs/dbraw/zinc/10/95/45/453109545.db2.gz XKORHAXJNRUZGI-SFHVURJKSA-N 2 1 346.475 1.811 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000666754704 453118805 /nfs/dbraw/zinc/11/88/05/453118805.db2.gz RVBTUGFTYHGYHD-BBWFWOEESA-N 2 1 340.512 1.203 20 0 EDADMP Cc1cnccc1CCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664524868 453164272 /nfs/dbraw/zinc/16/42/72/453164272.db2.gz SBPOHCHWWLAZOI-INIZCTEOSA-N 2 1 335.496 1.504 20 0 EDADMP Cc1cnccc1CCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664524868 453164278 /nfs/dbraw/zinc/16/42/78/453164278.db2.gz SBPOHCHWWLAZOI-INIZCTEOSA-N 2 1 335.496 1.504 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662494094 453211744 /nfs/dbraw/zinc/21/17/44/453211744.db2.gz WBYXICQDHNBCKU-QFBILLFUSA-N 2 1 344.503 1.611 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(C[NH3+])c3)CC[C@H]21 ZINC000666906763 453230307 /nfs/dbraw/zinc/23/03/07/453230307.db2.gz AIDFETAVAQQKQX-GDBMZVCRSA-N 2 1 330.432 1.027 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000662535198 453259191 /nfs/dbraw/zinc/25/91/91/453259191.db2.gz FNQBYEDVYWZDFV-SFHVURJKSA-N 3 1 338.540 1.639 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C[C@H]1C[NH3+] ZINC000662574504 453301141 /nfs/dbraw/zinc/30/11/41/453301141.db2.gz NQNPWKFYXIGUCI-JTNHKYCSSA-N 2 1 340.265 1.892 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000662592240 453319288 /nfs/dbraw/zinc/31/92/88/453319288.db2.gz IICFEEFMOUBABE-ZIAGYGMSSA-N 2 1 334.468 1.053 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000662593680 453320697 /nfs/dbraw/zinc/32/06/97/453320697.db2.gz QAPVQYDXQIKJBX-DEXNDLTESA-N 2 1 337.508 1.756 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000662593254 453321192 /nfs/dbraw/zinc/32/11/92/453321192.db2.gz MVMHHEWVCNLTFG-ZDUSSCGKSA-N 2 1 334.468 1.053 20 0 EDADMP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000653149015 453335952 /nfs/dbraw/zinc/33/59/52/453335952.db2.gz SVWWTNOOCYNCLX-LJQANCHMSA-N 2 1 346.519 1.433 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000651194771 453346776 /nfs/dbraw/zinc/34/67/76/453346776.db2.gz QCZHGWHUMYKXBW-QGZVFWFLSA-N 2 1 341.544 1.290 20 0 EDADMP CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000651194771 453346783 /nfs/dbraw/zinc/34/67/83/453346783.db2.gz QCZHGWHUMYKXBW-QGZVFWFLSA-N 2 1 341.544 1.290 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[N@H+](C[C@@H]3CCCO3)CC1)CC2 ZINC000651199008 453353224 /nfs/dbraw/zinc/35/32/24/453353224.db2.gz RQJRWBILPWMJRG-WMZOPIPTSA-N 2 1 346.475 1.467 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[N@@H+](C[C@@H]3CCCO3)CC1)CC2 ZINC000651199008 453353233 /nfs/dbraw/zinc/35/32/33/453353233.db2.gz RQJRWBILPWMJRG-WMZOPIPTSA-N 2 1 346.475 1.467 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[N@H+](C[C@H]3CCCO3)CC1)CC2 ZINC000651199006 453354031 /nfs/dbraw/zinc/35/40/31/453354031.db2.gz RQJRWBILPWMJRG-FUHWJXTLSA-N 2 1 346.475 1.467 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[N@@H+](C[C@H]3CCCO3)CC1)CC2 ZINC000651199006 453354042 /nfs/dbraw/zinc/35/40/42/453354042.db2.gz RQJRWBILPWMJRG-FUHWJXTLSA-N 2 1 346.475 1.467 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653169040 453360622 /nfs/dbraw/zinc/36/06/22/453360622.db2.gz ZYWNHXOFDQWIEJ-FUHWJXTLSA-N 2 1 338.540 1.769 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000648891953 453368471 /nfs/dbraw/zinc/36/84/71/453368471.db2.gz FPFLTDFTPIXERB-OAHLLOKOSA-N 2 1 335.496 1.539 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000648891953 453368480 /nfs/dbraw/zinc/36/84/80/453368480.db2.gz FPFLTDFTPIXERB-OAHLLOKOSA-N 2 1 335.496 1.539 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ncnc3[nH]ccc32)CC1 ZINC000667054220 453369349 /nfs/dbraw/zinc/36/93/49/453369349.db2.gz ACSWMDILGYVYQS-UHFFFAOYSA-N 2 1 337.387 1.309 20 0 EDADMP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2csc(C[NH3+])n2)C1 ZINC000662659917 453373282 /nfs/dbraw/zinc/37/32/82/453373282.db2.gz XRFXNFTYGNKXCK-HNNXBMFYSA-N 2 1 344.484 1.991 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2csc(C[NH3+])n2)C1 ZINC000662659917 453373283 /nfs/dbraw/zinc/37/32/83/453373283.db2.gz XRFXNFTYGNKXCK-HNNXBMFYSA-N 2 1 344.484 1.991 20 0 EDADMP COC[C@H](C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)OC ZINC000660538184 453385043 /nfs/dbraw/zinc/38/50/43/453385043.db2.gz NFDDDNGDKRWSRG-PMACEKPBSA-N 2 1 347.503 1.540 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000667078562 453391085 /nfs/dbraw/zinc/39/10/85/453391085.db2.gz XNKKYQNZUISSAR-PBHICJAKSA-N 2 1 342.443 1.171 20 0 EDADMP Cn1nnnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000651256282 453401320 /nfs/dbraw/zinc/40/13/20/453401320.db2.gz DLMCQVVOZIPVSI-RCCFBDPRSA-N 2 1 340.475 1.785 20 0 EDADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000646484358 453429874 /nfs/dbraw/zinc/42/98/74/453429874.db2.gz PKJDAQPXRHIHGD-NZSAHSFTSA-N 2 1 344.503 1.526 20 0 EDADMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000653246871 453430084 /nfs/dbraw/zinc/43/00/84/453430084.db2.gz BPAVMRZMYNJXMT-IPMKNSEASA-N 2 1 345.487 1.721 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CCO1 ZINC000664854306 453449272 /nfs/dbraw/zinc/44/92/72/453449272.db2.gz QGHRGUTXRGIFLZ-INIZCTEOSA-N 2 1 349.479 1.472 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)CC3([NH3+])CC3)CC2)cs1 ZINC000662730088 453456987 /nfs/dbraw/zinc/45/69/87/453456987.db2.gz QSMKZUMVNQVMTN-UHFFFAOYSA-N 2 1 336.505 1.915 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662730025 453457472 /nfs/dbraw/zinc/45/74/72/453457472.db2.gz YZMCWMHYSBVRFU-BZSNNMDCSA-N 2 1 331.460 1.331 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662744872 453473343 /nfs/dbraw/zinc/47/33/43/453473343.db2.gz IZEAJVXQFJBLHU-HOTGVXAUSA-N 2 1 348.495 1.539 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000662745935 453474737 /nfs/dbraw/zinc/47/47/37/453474737.db2.gz XKWUDDHAQUDQPI-LJQANCHMSA-N 2 1 344.503 1.309 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000662745935 453474746 /nfs/dbraw/zinc/47/47/46/453474746.db2.gz XKWUDDHAQUDQPI-LJQANCHMSA-N 2 1 344.503 1.309 20 0 EDADMP CN1CC[NH+](CCCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662754583 453491345 /nfs/dbraw/zinc/49/13/45/453491345.db2.gz RIPVFFPLJVZJPA-SFHVURJKSA-N 2 1 344.503 1.433 20 0 EDADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662776287 453510955 /nfs/dbraw/zinc/51/09/55/453510955.db2.gz WCVHYDCHPXDPIT-JGVFFNPUSA-N 2 1 344.278 1.936 20 0 EDADMP CCC[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000662825527 453553529 /nfs/dbraw/zinc/55/35/29/453553529.db2.gz JNBMYCMRHIPHDC-HUUCEWRRSA-N 2 1 349.479 1.060 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662826032 453553737 /nfs/dbraw/zinc/55/37/37/453553737.db2.gz QWZUTXBAUYGKMX-KBAYOESNSA-N 2 1 337.508 1.853 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662846722 453568128 /nfs/dbraw/zinc/56/81/28/453568128.db2.gz UFTQDZBFAMOKSF-CABCVRRESA-N 2 1 348.495 1.443 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662857466 453573236 /nfs/dbraw/zinc/57/32/36/453573236.db2.gz BJSBADSOSWQRIZ-KSZLIROESA-N 2 1 331.460 1.258 20 0 EDADMP O=C(CCC1CC[NH2+]CC1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662857628 453573768 /nfs/dbraw/zinc/57/37/68/453573768.db2.gz BPMAVSRZENKLLK-LJQANCHMSA-N 2 1 345.487 1.649 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000662861160 453576735 /nfs/dbraw/zinc/57/67/35/453576735.db2.gz XXYWUYOODRJBHT-OLMNPRSZSA-N 2 1 331.460 1.258 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000662866024 453579591 /nfs/dbraw/zinc/57/95/91/453579591.db2.gz AEBVQBVOYHRVKN-BRWVUGGUSA-N 2 1 335.423 1.108 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000662866024 453579594 /nfs/dbraw/zinc/57/95/94/453579594.db2.gz AEBVQBVOYHRVKN-BRWVUGGUSA-N 2 1 335.423 1.108 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660823918 453588350 /nfs/dbraw/zinc/58/83/50/453588350.db2.gz JEONYUBKFYTMNG-MRXNPFEDSA-N 2 1 340.537 1.456 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660823918 453588355 /nfs/dbraw/zinc/58/83/55/453588355.db2.gz JEONYUBKFYTMNG-MRXNPFEDSA-N 2 1 340.537 1.456 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CCSC1 ZINC000660826633 453590562 /nfs/dbraw/zinc/59/05/62/453590562.db2.gz QJNYZZYTMMHSFD-CJNGLKHVSA-N 2 1 328.526 1.596 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659038772 453593780 /nfs/dbraw/zinc/59/37/80/453593780.db2.gz CHLKLEFATKGMQV-IRXDYDNUSA-N 2 1 332.448 1.953 20 0 EDADMP CN(C(=O)c1conc1C(C)(C)[NH3+])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899136 453594100 /nfs/dbraw/zinc/59/41/00/453594100.db2.gz BVWYSNHMRPJJMP-AWEZNQCLSA-N 2 1 349.479 1.109 20 0 EDADMP CN(C(=O)c1conc1C(C)(C)[NH3+])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899136 453594101 /nfs/dbraw/zinc/59/41/01/453594101.db2.gz BVWYSNHMRPJJMP-AWEZNQCLSA-N 2 1 349.479 1.109 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000660885956 453632893 /nfs/dbraw/zinc/63/28/93/453632893.db2.gz BPQVGYVGEWTQRI-QGPMSJSTSA-N 2 1 334.508 1.890 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660885956 453632897 /nfs/dbraw/zinc/63/28/97/453632897.db2.gz BPQVGYVGEWTQRI-QGPMSJSTSA-N 2 1 334.508 1.890 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660885956 453632899 /nfs/dbraw/zinc/63/28/99/453632899.db2.gz BPQVGYVGEWTQRI-QGPMSJSTSA-N 2 1 334.508 1.890 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000665363871 453667735 /nfs/dbraw/zinc/66/77/35/453667735.db2.gz DNPFXIMCRHELQL-OAHLLOKOSA-N 2 1 340.512 1.394 20 0 EDADMP CC[NH+]1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000665455095 453698340 /nfs/dbraw/zinc/69/83/40/453698340.db2.gz NBMQOTONWYTXGA-UHFFFAOYSA-N 2 1 338.496 1.225 20 0 EDADMP O=C1[C@H]2C[N@@H+](CCCn3ccnc3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000661175910 453746793 /nfs/dbraw/zinc/74/67/93/453746793.db2.gz DTDNSDANBYVLGS-CALCHBBNSA-N 2 1 338.411 1.390 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000665555896 453748418 /nfs/dbraw/zinc/74/84/18/453748418.db2.gz MWWWIOGIPKDUBR-HOTGVXAUSA-N 2 1 338.496 1.223 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000661236913 453769722 /nfs/dbraw/zinc/76/97/22/453769722.db2.gz BIIFGCATFDWAPE-SFHVURJKSA-N 2 1 346.475 1.282 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000661236913 453769723 /nfs/dbraw/zinc/76/97/23/453769723.db2.gz BIIFGCATFDWAPE-SFHVURJKSA-N 2 1 346.475 1.282 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000661236913 453769726 /nfs/dbraw/zinc/76/97/26/453769726.db2.gz BIIFGCATFDWAPE-SFHVURJKSA-N 2 1 346.475 1.282 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661352426 453798012 /nfs/dbraw/zinc/79/80/12/453798012.db2.gz UWYFHKAPXCTRPM-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000683378022 486700870 /nfs/dbraw/zinc/70/08/70/486700870.db2.gz DJLRFQOFZOSPLM-DLBZAZTESA-N 2 1 340.512 1.659 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000676249480 486708520 /nfs/dbraw/zinc/70/85/20/486708520.db2.gz BAOYBVIZMFTUCB-HRCADAONSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000676249480 486708524 /nfs/dbraw/zinc/70/85/24/486708524.db2.gz BAOYBVIZMFTUCB-HRCADAONSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000676249480 486708526 /nfs/dbraw/zinc/70/85/26/486708526.db2.gz BAOYBVIZMFTUCB-HRCADAONSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000676249480 486708530 /nfs/dbraw/zinc/70/85/30/486708530.db2.gz BAOYBVIZMFTUCB-HRCADAONSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676307849 486729778 /nfs/dbraw/zinc/72/97/78/486729778.db2.gz RVOVCVQDOHSRMG-GJZGRUSLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676307849 486729783 /nfs/dbraw/zinc/72/97/83/486729783.db2.gz RVOVCVQDOHSRMG-GJZGRUSLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](NC(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676307849 486729786 /nfs/dbraw/zinc/72/97/86/486729786.db2.gz RVOVCVQDOHSRMG-GJZGRUSLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](NC(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676307849 486729791 /nfs/dbraw/zinc/72/97/91/486729791.db2.gz RVOVCVQDOHSRMG-GJZGRUSLSA-N 2 1 326.485 1.221 20 0 EDADMP CN(C)c1cc[nH+]c(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000680255525 486731322 /nfs/dbraw/zinc/73/13/22/486731322.db2.gz HBIYANPLVPMRKZ-IBGZPJMESA-N 2 1 340.427 1.723 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000672688209 486763216 /nfs/dbraw/zinc/76/32/16/486763216.db2.gz UPMKEYSIYOMGNB-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000672688209 486763219 /nfs/dbraw/zinc/76/32/19/486763219.db2.gz UPMKEYSIYOMGNB-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000672688209 486763221 /nfs/dbraw/zinc/76/32/21/486763221.db2.gz UPMKEYSIYOMGNB-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](CCO)C(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672725258 486779241 /nfs/dbraw/zinc/77/92/41/486779241.db2.gz HXXLVOIVJRMLAR-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000680482677 486788436 /nfs/dbraw/zinc/78/84/36/486788436.db2.gz YQDZMSSXMHCSOD-LJQANCHMSA-N 2 1 345.487 1.678 20 0 EDADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000680515280 486797686 /nfs/dbraw/zinc/79/76/86/486797686.db2.gz UYAULHTWOACBAT-SQWLQELKSA-N 2 1 326.485 1.077 20 0 EDADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000680515280 486797693 /nfs/dbraw/zinc/79/76/93/486797693.db2.gz UYAULHTWOACBAT-SQWLQELKSA-N 2 1 326.485 1.077 20 0 EDADMP C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000667559461 486845305 /nfs/dbraw/zinc/84/53/05/486845305.db2.gz NJGQTPTWPANJMU-AWEZNQCLSA-N 2 1 346.475 1.853 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)CC2)C1 ZINC000676698075 486845367 /nfs/dbraw/zinc/84/53/67/486845367.db2.gz LJEWVAVTWXYBTP-OALUTQOASA-N 2 1 348.535 1.632 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)C1 ZINC000676698075 486845371 /nfs/dbraw/zinc/84/53/71/486845371.db2.gz LJEWVAVTWXYBTP-OALUTQOASA-N 2 1 348.535 1.632 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN1CCN(C)CC1 ZINC000681122668 486945003 /nfs/dbraw/zinc/94/50/03/486945003.db2.gz LAAOSFZQBDMKRQ-IBGZPJMESA-N 2 1 346.519 1.507 20 0 EDADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN1CC[NH+](C)CC1 ZINC000681122668 486945009 /nfs/dbraw/zinc/94/50/09/486945009.db2.gz LAAOSFZQBDMKRQ-IBGZPJMESA-N 2 1 346.519 1.507 20 0 EDADMP CC1(C)CN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1CCO ZINC000667746415 486945802 /nfs/dbraw/zinc/94/58/02/486945802.db2.gz ZMZMUKKZSSDIIU-UHFFFAOYSA-N 2 1 332.448 1.253 20 0 EDADMP CC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C[C@@H]1C ZINC000677189725 487001401 /nfs/dbraw/zinc/00/14/01/487001401.db2.gz BWBPQUMPLJQLJU-WMZOPIPTSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@@H]1C ZINC000677189725 487001406 /nfs/dbraw/zinc/00/14/06/487001406.db2.gz BWBPQUMPLJQLJU-WMZOPIPTSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@@H]1C ZINC000677189725 487001411 /nfs/dbraw/zinc/00/14/11/487001411.db2.gz BWBPQUMPLJQLJU-WMZOPIPTSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000684430118 487057558 /nfs/dbraw/zinc/05/75/58/487057558.db2.gz UEZWUHILYLUVSG-IBGZPJMESA-N 2 1 331.460 1.859 20 0 EDADMP C[N@@H+]1CCN(C(=O)[C@@H]2CCc3nccn3C2)C[C@@H]1Cc1ccccc1 ZINC000671927552 487156504 /nfs/dbraw/zinc/15/65/04/487156504.db2.gz DOJIBSKNHNZAFR-MSOLQXFVSA-N 2 1 338.455 1.831 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[NH+](C)C1 ZINC000681764571 487161818 /nfs/dbraw/zinc/16/18/18/487161818.db2.gz ASPNSPALUZVUIY-PKOBYXMFSA-N 2 1 331.460 1.034 20 0 EDADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000681764571 487161821 /nfs/dbraw/zinc/16/18/21/487161821.db2.gz ASPNSPALUZVUIY-PKOBYXMFSA-N 2 1 331.460 1.034 20 0 EDADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000681764571 487161824 /nfs/dbraw/zinc/16/18/24/487161824.db2.gz ASPNSPALUZVUIY-PKOBYXMFSA-N 2 1 331.460 1.034 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000677926848 487202348 /nfs/dbraw/zinc/20/23/48/487202348.db2.gz IUVZMVZDIYUKES-LJQANCHMSA-N 2 1 345.487 1.715 20 0 EDADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470506 487280517 /nfs/dbraw/zinc/28/05/17/487280517.db2.gz YWHIXCHOAGGRLS-CZUORRHYSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470506 487280519 /nfs/dbraw/zinc/28/05/19/487280519.db2.gz YWHIXCHOAGGRLS-CZUORRHYSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470506 487280521 /nfs/dbraw/zinc/28/05/21/487280521.db2.gz YWHIXCHOAGGRLS-CZUORRHYSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470506 487280524 /nfs/dbraw/zinc/28/05/24/487280524.db2.gz YWHIXCHOAGGRLS-CZUORRHYSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470506 487280527 /nfs/dbraw/zinc/28/05/27/487280527.db2.gz YWHIXCHOAGGRLS-CZUORRHYSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470506 487280529 /nfs/dbraw/zinc/28/05/29/487280529.db2.gz YWHIXCHOAGGRLS-CZUORRHYSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470506 487280531 /nfs/dbraw/zinc/28/05/31/487280531.db2.gz YWHIXCHOAGGRLS-CZUORRHYSA-N 2 1 325.478 1.830 20 0 EDADMP CC(C)[N@H+](C)CC1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000678708140 487355035 /nfs/dbraw/zinc/35/50/35/487355035.db2.gz OJONAWDBSFTEBI-UHFFFAOYSA-N 2 1 333.480 1.870 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000678708140 487355038 /nfs/dbraw/zinc/35/50/38/487355038.db2.gz OJONAWDBSFTEBI-UHFFFAOYSA-N 2 1 333.480 1.870 20 0 EDADMP CNS(=O)(=O)CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679326356 487415013 /nfs/dbraw/zinc/41/50/13/487415013.db2.gz UZVFCTCTRSKFBZ-WBVHZDCISA-N 2 1 339.505 1.426 20 0 EDADMP CN(CCC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)c1cc[nH+]cc1 ZINC000679407331 487422543 /nfs/dbraw/zinc/42/25/43/487422543.db2.gz KISZDYOESLTDMF-GOSISDBHSA-N 2 1 346.475 1.621 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000679406600 487422550 /nfs/dbraw/zinc/42/25/50/487422550.db2.gz REQVXHFZYNHYSG-UHFFFAOYSA-N 2 1 333.480 1.052 20 0 EDADMP C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000682876286 487425445 /nfs/dbraw/zinc/42/54/45/487425445.db2.gz GBSGGTGSNJMHMU-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000682876286 487425448 /nfs/dbraw/zinc/42/54/48/487425448.db2.gz GBSGGTGSNJMHMU-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP OCC[C@H]1CCC[N@@H+](CC2(C[NH+]3CCC[C@@H](CCO)C3)COC2)C1 ZINC000679850158 487468674 /nfs/dbraw/zinc/46/86/74/487468674.db2.gz AGPYQIRBJOMOGD-HDICACEKSA-N 2 1 340.508 1.192 20 0 EDADMP OCC[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](CCO)C3)COC2)C1 ZINC000679850158 487468676 /nfs/dbraw/zinc/46/86/76/487468676.db2.gz AGPYQIRBJOMOGD-HDICACEKSA-N 2 1 340.508 1.192 20 0 EDADMP OCC[C@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](CCO)C3)COC2)C1 ZINC000679850158 487468678 /nfs/dbraw/zinc/46/86/78/487468678.db2.gz AGPYQIRBJOMOGD-HDICACEKSA-N 2 1 340.508 1.192 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000668335008 485595416 /nfs/dbraw/zinc/59/54/16/485595416.db2.gz NNWFAULLHGJIKI-CYBMUJFWSA-N 2 1 338.496 1.012 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000669578662 485623109 /nfs/dbraw/zinc/62/31/09/485623109.db2.gz WNVRDWDPDQKGDL-UAGQMJEPSA-N 2 1 338.496 1.541 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)CC3([NH3+])CCC3)cc2)CC1 ZINC000237200077 485958340 /nfs/dbraw/zinc/95/83/40/485958340.db2.gz JTEQKFXQMSIQBY-UHFFFAOYSA-N 2 1 330.432 1.284 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669388795 486024459 /nfs/dbraw/zinc/02/44/59/486024459.db2.gz QLHBNOZVFVVXAR-IAGOWNOFSA-N 2 1 340.512 1.376 20 0 EDADMP CC(C)[NH+]1CCN(CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000669690571 486077665 /nfs/dbraw/zinc/07/76/65/486077665.db2.gz UBDQMHQHFIIBKM-UHFFFAOYSA-N 2 1 331.508 1.620 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668819659 486227582 /nfs/dbraw/zinc/22/75/82/486227582.db2.gz PNZCXSHFLPPJAP-MRXNPFEDSA-N 2 1 341.455 1.994 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668819658 486227699 /nfs/dbraw/zinc/22/76/99/486227699.db2.gz PNZCXSHFLPPJAP-INIZCTEOSA-N 2 1 341.455 1.994 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c1ccccc1OC ZINC000669508819 486291469 /nfs/dbraw/zinc/29/14/69/486291469.db2.gz QDNYTBZHCFUGRX-WMLDXEAASA-N 2 1 329.400 1.520 20 0 EDADMP Cn1cc(C[C@H]2CC[N@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)cn1 ZINC000304515844 491005014 /nfs/dbraw/zinc/00/50/14/491005014.db2.gz VLUWYGALRPSQSS-UYAOXDASSA-N 2 1 342.487 1.777 20 0 EDADMP Cn1cc(C[C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)cn1 ZINC000304515844 491005015 /nfs/dbraw/zinc/00/50/15/491005015.db2.gz VLUWYGALRPSQSS-UYAOXDASSA-N 2 1 342.487 1.777 20 0 EDADMP Cn1cc(C[C@H]2CC[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)C2)cn1 ZINC000304515844 491005016 /nfs/dbraw/zinc/00/50/16/491005016.db2.gz VLUWYGALRPSQSS-UYAOXDASSA-N 2 1 342.487 1.777 20 0 EDADMP Cn1cc(C[C@H]2CC[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)C2)cn1 ZINC000304515844 491005017 /nfs/dbraw/zinc/00/50/17/491005017.db2.gz VLUWYGALRPSQSS-UYAOXDASSA-N 2 1 342.487 1.777 20 0 EDADMP COC1CC[NH+](CCNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000684141275 491013642 /nfs/dbraw/zinc/01/36/42/491013642.db2.gz WQKKXORDMGYILO-INIZCTEOSA-N 2 1 340.512 1.517 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](CC)CC)C[C@@H]1[NH+]1CCOCC1 ZINC000426017373 491167601 /nfs/dbraw/zinc/16/76/01/491167601.db2.gz ZNNRRYBIPQLZQK-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000154896658 533841063 /nfs/dbraw/zinc/84/10/63/533841063.db2.gz MXIWUBGMUMOJLD-ROUUACIJSA-N 2 1 348.535 1.914 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000174671505 527973444 /nfs/dbraw/zinc/97/34/44/527973444.db2.gz GKNWTXMEMPOTHX-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000174671505 527973447 /nfs/dbraw/zinc/97/34/47/527973447.db2.gz GKNWTXMEMPOTHX-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP CCC[NH+](CC)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000174671505 527973451 /nfs/dbraw/zinc/97/34/51/527973451.db2.gz GKNWTXMEMPOTHX-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP CCC[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000174671505 527973456 /nfs/dbraw/zinc/97/34/56/527973456.db2.gz GKNWTXMEMPOTHX-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000346211792 535120667 /nfs/dbraw/zinc/12/06/67/535120667.db2.gz WIPOOTPONKDXPI-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccn(C)n1 ZINC000339655914 535592012 /nfs/dbraw/zinc/59/20/12/535592012.db2.gz WEMKHQZTMXKUKF-KRWDZBQOSA-N 2 1 335.496 1.227 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@H](C)[NH3+])cc2)CC1 ZINC000261923727 535619806 /nfs/dbraw/zinc/61/98/06/535619806.db2.gz XWYKUEASMRMYJN-AWEZNQCLSA-N 2 1 332.448 1.069 20 0 EDADMP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248434348 535643106 /nfs/dbraw/zinc/64/31/06/535643106.db2.gz DUWGJZBEJFKQSZ-RHSMWYFYSA-N 2 1 340.489 1.166 20 0 EDADMP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248434348 535643111 /nfs/dbraw/zinc/64/31/11/535643111.db2.gz DUWGJZBEJFKQSZ-RHSMWYFYSA-N 2 1 340.489 1.166 20 0 EDADMP C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000264114039 536342651 /nfs/dbraw/zinc/34/26/51/536342651.db2.gz PPBNXMAQUTUZKG-SFHVURJKSA-N 2 1 331.460 1.395 20 0 EDADMP C[NH2+][C@@H](C)Cc1noc(-c2cccc(C[NH+]3CCN(C)CC3)c2)n1 ZINC000261816109 536346535 /nfs/dbraw/zinc/34/65/35/536346535.db2.gz QEJUJDBROCSQHH-AWEZNQCLSA-N 2 1 329.448 1.634 20 0 EDADMP C[NH2+][C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000262335739 536388072 /nfs/dbraw/zinc/38/80/72/536388072.db2.gz FCQQNLUSLPWRJV-INIZCTEOSA-N 2 1 331.420 1.260 20 0 EDADMP COCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262014611 536717619 /nfs/dbraw/zinc/71/76/19/536717619.db2.gz VVUFZEGMCKYFDY-IPMKNSEASA-N 2 1 334.460 1.959 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000261770324 536852320 /nfs/dbraw/zinc/85/23/20/536852320.db2.gz MICPBZVOPNPCRP-ACJLOTCBSA-N 2 1 337.439 1.852 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000261770324 536852322 /nfs/dbraw/zinc/85/23/22/536852322.db2.gz MICPBZVOPNPCRP-ACJLOTCBSA-N 2 1 337.439 1.852 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000743978137 579495919 /nfs/dbraw/zinc/49/59/19/579495919.db2.gz DDYOMHJRMUZXIR-OAHLLOKOSA-N 2 1 346.475 1.330 20 0 EDADMP C[C@@H]1CN(C[C@H]2CN(C)CCO2)CC[N@H+]1CCCCCCCO ZINC000743848600 578282613 /nfs/dbraw/zinc/28/26/13/578282613.db2.gz ISZICBQGQVFXSO-QZTJIDSGSA-N 2 1 327.513 1.266 20 0 EDADMP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCCCCCCO ZINC000743848600 578282614 /nfs/dbraw/zinc/28/26/14/578282614.db2.gz ISZICBQGQVFXSO-QZTJIDSGSA-N 2 1 327.513 1.266 20 0 EDADMP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCCCCCO ZINC000743848600 578282616 /nfs/dbraw/zinc/28/26/16/578282616.db2.gz ISZICBQGQVFXSO-QZTJIDSGSA-N 2 1 327.513 1.266 20 0 EDADMP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCCCCCCO ZINC000743848600 578282617 /nfs/dbraw/zinc/28/26/17/578282617.db2.gz ISZICBQGQVFXSO-QZTJIDSGSA-N 2 1 327.513 1.266 20 0 EDADMP C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093420243 578306236 /nfs/dbraw/zinc/30/62/36/578306236.db2.gz GTKSREZERFXLEL-HUUCEWRRSA-N 2 1 342.505 1.880 20 0 EDADMP C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093420243 578306237 /nfs/dbraw/zinc/30/62/37/578306237.db2.gz GTKSREZERFXLEL-HUUCEWRRSA-N 2 1 342.505 1.880 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NCc1ccccn1 ZINC000759763574 580014298 /nfs/dbraw/zinc/01/42/98/580014298.db2.gz HGYZCKWETRDKGO-UHFFFAOYSA-N 2 1 329.448 1.869 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NCc1ccccn1 ZINC000759763574 580014299 /nfs/dbraw/zinc/01/42/99/580014299.db2.gz HGYZCKWETRDKGO-UHFFFAOYSA-N 2 1 329.448 1.869 20 0 EDADMP COc1cccc([C@@H](C)[NH+]2CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000728941759 578554742 /nfs/dbraw/zinc/55/47/42/578554742.db2.gz KOXATNKUVWIGIG-MJGOQNOKSA-N 2 1 347.503 1.831 20 0 EDADMP C[C@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000729266097 578562855 /nfs/dbraw/zinc/56/28/55/578562855.db2.gz QVEHSTFZTFGBDM-LLVKDONJSA-N 2 1 338.477 1.448 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730826382 578659916 /nfs/dbraw/zinc/65/99/16/578659916.db2.gz XAYQAQBLGKPEFN-IXDOHACOSA-N 2 1 336.480 1.119 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000735327190 578876432 /nfs/dbraw/zinc/87/64/32/578876432.db2.gz NPJNJAMCDXDWFJ-QBPKDAKJSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000735327190 578876433 /nfs/dbraw/zinc/87/64/33/578876433.db2.gz NPJNJAMCDXDWFJ-QBPKDAKJSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000735327190 578876434 /nfs/dbraw/zinc/87/64/34/578876434.db2.gz NPJNJAMCDXDWFJ-QBPKDAKJSA-N 2 1 336.480 1.118 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C(=O)C[C@@]3(CCSC3)C2=O)CC1 ZINC000738077655 579157617 /nfs/dbraw/zinc/15/76/17/579157617.db2.gz WFUAKVQKEBMTBA-MRXNPFEDSA-N 2 1 325.478 1.100 20 0 EDADMP C(CCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000748813665 579701117 /nfs/dbraw/zinc/70/11/17/579701117.db2.gz PQOUDWWKUCDPOJ-LWYYNNOASA-N 4 1 334.552 1.629 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000751317933 579801288 /nfs/dbraw/zinc/80/12/88/579801288.db2.gz PVUWLRGKXKOKOD-SFHVURJKSA-N 2 1 331.460 1.662 20 0 EDADMP COCCS(=O)(=O)CCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754466599 579904045 /nfs/dbraw/zinc/90/40/45/579904045.db2.gz XYCGSGVXZXDDMT-CVEARBPZSA-N 2 1 346.537 1.680 20 0 EDADMP COCCS(=O)(=O)CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754466599 579904046 /nfs/dbraw/zinc/90/40/46/579904046.db2.gz XYCGSGVXZXDDMT-CVEARBPZSA-N 2 1 346.537 1.680 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000764491863 580121704 /nfs/dbraw/zinc/12/17/04/580121704.db2.gz VNIVTKVRHBGPIS-HUUCEWRRSA-N 2 1 326.554 1.865 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000764605161 580124568 /nfs/dbraw/zinc/12/45/68/580124568.db2.gz DYFPNGYEKHOPKS-DLBZAZTESA-N 2 1 325.497 1.726 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000766086490 580158674 /nfs/dbraw/zinc/15/86/74/580158674.db2.gz MAAWQSBDSKAQGE-GOEBONIOSA-N 2 1 334.468 1.393 20 0 EDADMP CCNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000772980488 580324734 /nfs/dbraw/zinc/32/47/34/580324734.db2.gz XQGPBGBFWVJDGH-ZDUSSCGKSA-N 2 1 336.461 1.771 20 0 EDADMP C[NH+]1CCN(c2ccccc2NC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000775755917 580399619 /nfs/dbraw/zinc/39/96/19/580399619.db2.gz TYJBPBAZWNAIMU-UHFFFAOYSA-N 2 1 343.475 1.822 20 0 EDADMP Cc1ccc(C)c(NC(=O)CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000779654061 580493354 /nfs/dbraw/zinc/49/33/54/580493354.db2.gz NIZODWHXFHTGDW-INIZCTEOSA-N 2 1 348.447 1.850 20 0 EDADMP Cc1ccc(C)c(NC(=O)CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000779654061 580493355 /nfs/dbraw/zinc/49/33/55/580493355.db2.gz NIZODWHXFHTGDW-INIZCTEOSA-N 2 1 348.447 1.850 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2nc(-c3ccccc3)no2)C1 ZINC000779653824 580493369 /nfs/dbraw/zinc/49/33/69/580493369.db2.gz MDXVBOLJNJXKTM-AWEZNQCLSA-N 2 1 345.403 1.844 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2nc(-c3ccccc3)no2)C1 ZINC000779653824 580493370 /nfs/dbraw/zinc/49/33/70/580493370.db2.gz MDXVBOLJNJXKTM-AWEZNQCLSA-N 2 1 345.403 1.844 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000780208189 580516070 /nfs/dbraw/zinc/51/60/70/580516070.db2.gz JUGYPARYPSBCJK-GJZGRUSLSA-N 2 1 342.553 1.122 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000780208189 580516071 /nfs/dbraw/zinc/51/60/71/580516071.db2.gz JUGYPARYPSBCJK-GJZGRUSLSA-N 2 1 342.553 1.122 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000780208189 580516072 /nfs/dbraw/zinc/51/60/72/580516072.db2.gz JUGYPARYPSBCJK-GJZGRUSLSA-N 2 1 342.553 1.122 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2cc(Br)no2)C1 ZINC000793845210 580857751 /nfs/dbraw/zinc/85/77/51/580857751.db2.gz TZEQZILEVONTIM-SNVBAGLBSA-N 2 1 347.213 1.545 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cc(Br)no2)C1 ZINC000793845210 580857752 /nfs/dbraw/zinc/85/77/52/580857752.db2.gz TZEQZILEVONTIM-SNVBAGLBSA-N 2 1 347.213 1.545 20 0 EDADMP COCCS(=O)(=O)CCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178696 581021459 /nfs/dbraw/zinc/02/14/59/581021459.db2.gz DINOAMXJQDJNRJ-UHFFFAOYSA-N 2 1 332.510 1.246 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC000799194217 581022039 /nfs/dbraw/zinc/02/20/39/581022039.db2.gz QGOCRLYOXQHHHT-MRXNPFEDSA-N 2 1 330.476 1.860 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC000799194217 581022040 /nfs/dbraw/zinc/02/20/40/581022040.db2.gz QGOCRLYOXQHHHT-MRXNPFEDSA-N 2 1 330.476 1.860 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cn2)C1 ZINC000799304620 581024749 /nfs/dbraw/zinc/02/47/49/581024749.db2.gz XLIAIGMPXKOIPV-WBVHZDCISA-N 2 1 325.428 1.687 20 0 EDADMP COc1ccc2[nH+]ccc(NCC[NH+]3CCN(C(C)=O)CC3)c2c1 ZINC000891820818 590638271 /nfs/dbraw/zinc/63/82/71/590638271.db2.gz AROWFGAECWOUJJ-UHFFFAOYSA-N 2 1 328.416 1.241 20 0 EDADMP CCN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000891865880 590661879 /nfs/dbraw/zinc/66/18/79/590661879.db2.gz XFGHUOCWJHOWJV-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000893237206 590726735 /nfs/dbraw/zinc/72/67/35/590726735.db2.gz FWASMWWMPSZDNO-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000893237206 590726737 /nfs/dbraw/zinc/72/67/37/590726737.db2.gz FWASMWWMPSZDNO-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000893237206 590726739 /nfs/dbraw/zinc/72/67/39/590726739.db2.gz FWASMWWMPSZDNO-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C1 ZINC000892261404 590895186 /nfs/dbraw/zinc/89/51/86/590895186.db2.gz WTARZKJZKBHNAX-VQHPVUNQSA-N 2 1 336.524 1.946 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892340460 590968664 /nfs/dbraw/zinc/96/86/64/590968664.db2.gz TZCFSTGZSFIVMS-IEBWSBKVSA-N 2 1 342.487 1.958 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892344341 590973247 /nfs/dbraw/zinc/97/32/47/590973247.db2.gz NTHQERJWFANTEJ-UHFFFAOYSA-N 2 1 346.475 1.196 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C[C@H](C)[N@@H+]1CCO ZINC000892407857 591015048 /nfs/dbraw/zinc/01/50/48/591015048.db2.gz HYALXZFDWQUFHK-JZXOWHBKSA-N 2 1 348.491 1.043 20 0 EDADMP CC[NH+]1CCCN(c2nccc(N3CCC[N@H+](CC)CC3)n2)CC1 ZINC000892424833 591022235 /nfs/dbraw/zinc/02/22/35/591022235.db2.gz GUDCBAAPYYGWHE-UHFFFAOYSA-N 2 1 332.496 1.541 20 0 EDADMP CC[NH+]1CCCN(c2ccnc(N3CCC[N@H+](CC)CC3)n2)CC1 ZINC000892424833 591022239 /nfs/dbraw/zinc/02/22/39/591022239.db2.gz GUDCBAAPYYGWHE-UHFFFAOYSA-N 2 1 332.496 1.541 20 0 EDADMP CC[NH+]1CCCN(c2ccnc(N3CCC[N@@H+](CC)CC3)n2)CC1 ZINC000892424833 591022242 /nfs/dbraw/zinc/02/22/42/591022242.db2.gz GUDCBAAPYYGWHE-UHFFFAOYSA-N 2 1 332.496 1.541 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000892529921 591060114 /nfs/dbraw/zinc/06/01/14/591060114.db2.gz FVLPMTXCMRKSFK-SQNIBIBYSA-N 2 1 328.460 1.573 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000892536031 591064042 /nfs/dbraw/zinc/06/40/42/591064042.db2.gz LXLCBSMAQRNULB-QGZVFWFLSA-N 2 1 348.491 1.575 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000892536031 591064045 /nfs/dbraw/zinc/06/40/45/591064045.db2.gz LXLCBSMAQRNULB-QGZVFWFLSA-N 2 1 348.491 1.575 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892599760 591089305 /nfs/dbraw/zinc/08/93/05/591089305.db2.gz ULLRQMCMCDOTER-ZJPYXAASSA-N 2 1 334.508 1.890 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000891508552 591098701 /nfs/dbraw/zinc/09/87/01/591098701.db2.gz NQVNLRXXBARJAT-NXHRZFHOSA-N 2 1 330.476 1.682 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CCCC1 ZINC000891510385 591099384 /nfs/dbraw/zinc/09/93/84/591099384.db2.gz VTGQHACGEQYKNY-HZPDHXFCSA-N 2 1 338.496 1.101 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000891538413 591113149 /nfs/dbraw/zinc/11/31/49/591113149.db2.gz XXDZKCWNVZWWCH-GJZGRUSLSA-N 2 1 326.485 1.175 20 0 EDADMP COc1ccc2[nH+]ccc(N3CC[NH+](CC[S@@](C)=O)CC3)c2c1 ZINC000892658732 591113941 /nfs/dbraw/zinc/11/39/41/591113941.db2.gz WOPSCOUWKYZRPI-HSZRJFAPSA-N 2 1 333.457 1.744 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000893872404 591124109 /nfs/dbraw/zinc/12/41/09/591124109.db2.gz KMGGMFLFBUBWKS-JEJOPICUSA-N 2 1 331.460 1.851 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)Cc1ccc(F)cc1 ZINC000891647233 591164889 /nfs/dbraw/zinc/16/48/89/591164889.db2.gz SJRILCKMOLCMJT-DLBZAZTESA-N 2 1 334.439 1.793 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NCc2cccc3c2CC[NH2+]C3)C[N@H+]1C1CC1 ZINC000891662286 591174137 /nfs/dbraw/zinc/17/41/37/591174137.db2.gz XXJRUWNMIVJGCA-CZUORRHYSA-N 2 1 328.460 1.757 20 0 EDADMP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000891684606 591183440 /nfs/dbraw/zinc/18/34/40/591183440.db2.gz DONNOLVHOSTHJB-BRWVUGGUSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N(C)CC(C)(C)C[NH+](C)C)C[C@H](C)O1 ZINC000891726757 591199822 /nfs/dbraw/zinc/19/98/22/591199822.db2.gz AZCULXRKUPNHGL-IYBDPMFKSA-N 2 1 342.528 1.715 20 0 EDADMP CCc1[nH]c(C[NH2+]C2CC[NH+](CCCOC)CC2)cc1C(=O)OC ZINC000894213986 591232969 /nfs/dbraw/zinc/23/29/69/591232969.db2.gz FOAAXECTVXIKGS-UHFFFAOYSA-N 2 1 337.464 1.954 20 0 EDADMP COC(=O)c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000894253539 591249131 /nfs/dbraw/zinc/24/91/31/591249131.db2.gz KYJNDANODFPBMF-UHFFFAOYSA-N 2 1 333.476 1.897 20 0 EDADMP COc1cnc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc1N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000895740193 591262430 /nfs/dbraw/zinc/26/24/30/591262430.db2.gz MFSQHTQRRZWEPR-AAVRWANBSA-N 2 1 334.468 1.494 20 0 EDADMP COc1cnc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc1N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000895740193 591262432 /nfs/dbraw/zinc/26/24/32/591262432.db2.gz MFSQHTQRRZWEPR-AAVRWANBSA-N 2 1 334.468 1.494 20 0 EDADMP COc1cnc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc1N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000895740193 591262433 /nfs/dbraw/zinc/26/24/33/591262433.db2.gz MFSQHTQRRZWEPR-AAVRWANBSA-N 2 1 334.468 1.494 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)[C@H]2CCC[NH+](C)C2)CCCO1 ZINC000894447891 591314186 /nfs/dbraw/zinc/31/41/86/591314186.db2.gz ISYOHVGWWWINBC-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC000894447891 591314189 /nfs/dbraw/zinc/31/41/89/591314189.db2.gz ISYOHVGWWWINBC-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000894447891 591314192 /nfs/dbraw/zinc/31/41/92/591314192.db2.gz ISYOHVGWWWINBC-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000894457190 591316622 /nfs/dbraw/zinc/31/66/22/591316622.db2.gz VHDYAHHASQVGIM-HZPDHXFCSA-N 2 1 341.496 1.942 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000894457190 591316624 /nfs/dbraw/zinc/31/66/24/591316624.db2.gz VHDYAHHASQVGIM-HZPDHXFCSA-N 2 1 341.496 1.942 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C[C@H]1[NH+]1CCCC1 ZINC000897376693 591353504 /nfs/dbraw/zinc/35/35/04/591353504.db2.gz CWVGBYWBLXOTLE-RBSFLKMASA-N 2 1 325.522 1.897 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C[C@H]1[NH+]1CCCC1 ZINC000897376693 591353506 /nfs/dbraw/zinc/35/35/06/591353506.db2.gz CWVGBYWBLXOTLE-RBSFLKMASA-N 2 1 325.522 1.897 20 0 EDADMP C[C@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000896291542 591417067 /nfs/dbraw/zinc/41/70/67/591417067.db2.gz CPYQCKLIZUGWHR-QAPCUYQASA-N 2 1 331.460 1.344 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCSCC2)[C@@H]1c1ccccc1 ZINC000896325739 591419084 /nfs/dbraw/zinc/41/90/84/591419084.db2.gz SDXSFCUTZBRPEV-IRXDYDNUSA-N 2 1 333.501 1.844 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCSCC2)[C@@H]1c1ccccc1 ZINC000896325739 591419088 /nfs/dbraw/zinc/41/90/88/591419088.db2.gz SDXSFCUTZBRPEV-IRXDYDNUSA-N 2 1 333.501 1.844 20 0 EDADMP CC1(C)CC[N@@H+](CCNC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC000898595879 591428652 /nfs/dbraw/zinc/42/86/52/591428652.db2.gz LOMZERNZYQOENN-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP Cc1[nH+]c2cc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)ccc2n1C(CO)CO ZINC000894919394 591475079 /nfs/dbraw/zinc/47/50/79/591475079.db2.gz PPTSJUFCCZLJGE-DOMZBBRYSA-N 2 1 332.448 1.765 20 0 EDADMP Cc1cc(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc(N2CCCC2)n1 ZINC000894946524 591484482 /nfs/dbraw/zinc/48/44/82/591484482.db2.gz FTQPVAHHHDLKPS-CALCHBBNSA-N 2 1 343.475 1.693 20 0 EDADMP Cc1cc(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000894946524 591484485 /nfs/dbraw/zinc/48/44/85/591484485.db2.gz FTQPVAHHHDLKPS-CALCHBBNSA-N 2 1 343.475 1.693 20 0 EDADMP Cc1cc(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000894946524 591484488 /nfs/dbraw/zinc/48/44/88/591484488.db2.gz FTQPVAHHHDLKPS-CALCHBBNSA-N 2 1 343.475 1.693 20 0 EDADMP CN(C)Cc1csc(CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)n1 ZINC000896595509 591546062 /nfs/dbraw/zinc/54/60/62/591546062.db2.gz VDHFOHBTNYORRS-ZDUSSCGKSA-N 2 1 325.482 1.440 20 0 EDADMP Cc1nc2ccccn2c1CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000898963017 591618266 /nfs/dbraw/zinc/61/82/66/591618266.db2.gz VRVCMCWRFFTYQN-UONOGXRCSA-N 2 1 345.447 1.239 20 0 EDADMP Cc1nc2ccccn2c1CNC(=O)N1C[C@H](C)N(CCO)C[C@H]1C ZINC000898963017 591618268 /nfs/dbraw/zinc/61/82/68/591618268.db2.gz VRVCMCWRFFTYQN-UONOGXRCSA-N 2 1 345.447 1.239 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000898993406 591633212 /nfs/dbraw/zinc/63/32/12/591633212.db2.gz PTVUYHVMPUKHQY-OAGGEKHMSA-N 2 1 328.501 1.059 20 0 EDADMP C[N@@H+](CCCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)C1CC1 ZINC000895282116 591699963 /nfs/dbraw/zinc/69/99/63/591699963.db2.gz MHBCKIAQSNAFNC-SJORKVTESA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)C1CC1 ZINC000895282116 591699966 /nfs/dbraw/zinc/69/99/66/591699966.db2.gz MHBCKIAQSNAFNC-SJORKVTESA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)C1CC1 ZINC000895282116 591699969 /nfs/dbraw/zinc/69/99/69/591699969.db2.gz MHBCKIAQSNAFNC-SJORKVTESA-N 2 1 338.496 1.101 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000899201566 591728275 /nfs/dbraw/zinc/72/82/75/591728275.db2.gz XADATXATFTXMSO-INIZCTEOSA-N 2 1 334.464 1.766 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000899961402 591840315 /nfs/dbraw/zinc/84/03/15/591840315.db2.gz OSLAAXXVGWOTSP-CRAIPNDOSA-N 2 1 335.448 1.380 20 0 EDADMP CC[N@H+]1CC[C@@H](NCc2cccc(N(C)S(C)(=O)=O)c2)[C@H](C)C1 ZINC000898285088 591853100 /nfs/dbraw/zinc/85/31/00/591853100.db2.gz SCSKZNSCADMFFJ-RHSMWYFYSA-N 2 1 339.505 1.902 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)[C@H](C)C1 ZINC000898285088 591853107 /nfs/dbraw/zinc/85/31/07/591853107.db2.gz SCSKZNSCADMFFJ-RHSMWYFYSA-N 2 1 339.505 1.902 20 0 EDADMP CCc1ccc([C@@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000900012852 591862865 /nfs/dbraw/zinc/86/28/65/591862865.db2.gz DEULKTAANYWKEQ-QUCCMNQESA-N 2 1 347.503 1.815 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1(C)C ZINC000898372343 591897117 /nfs/dbraw/zinc/89/71/17/591897117.db2.gz OWQHPNLTLWMUJO-VXGBXAGGSA-N 2 1 339.871 1.877 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)C2(O)CCOCC2)cc1F ZINC000899876377 591969279 /nfs/dbraw/zinc/96/92/79/591969279.db2.gz RWRPBCWEHKXEAN-KRWDZBQOSA-N 2 1 349.406 1.312 20 0 EDADMP C[C@@H]1CCC[C@@](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)([NH+](C)C)C1 ZINC000900319929 591989642 /nfs/dbraw/zinc/98/96/42/591989642.db2.gz AVZQJBTVJCKIIX-KBAYOESNSA-N 2 1 325.497 1.460 20 0 EDADMP c1cc(N[C@@H]2CCCOC2)nc(NCCCCCN2CC[NH2+]CC2)[nH+]1 ZINC000900357987 591994055 /nfs/dbraw/zinc/99/40/55/591994055.db2.gz GJMXYYKIVDCWEC-MRXNPFEDSA-N 2 1 348.495 1.555 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000900410545 592010550 /nfs/dbraw/zinc/01/05/50/592010550.db2.gz VGGABVOXHKLXHM-HOTGVXAUSA-N 2 1 339.480 1.108 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000900410545 592010552 /nfs/dbraw/zinc/01/05/52/592010552.db2.gz VGGABVOXHKLXHM-HOTGVXAUSA-N 2 1 339.480 1.108 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000900410545 592010553 /nfs/dbraw/zinc/01/05/53/592010553.db2.gz VGGABVOXHKLXHM-HOTGVXAUSA-N 2 1 339.480 1.108 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000900410545 592010555 /nfs/dbraw/zinc/01/05/55/592010555.db2.gz VGGABVOXHKLXHM-HOTGVXAUSA-N 2 1 339.480 1.108 20 0 EDADMP [NH2+]=C(NOCc1cncc(C(F)(F)F)c1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902807733 592063718 /nfs/dbraw/zinc/06/37/18/592063718.db2.gz OXDWUTXTRAZKKA-QWHCGFSZSA-N 2 1 344.337 1.962 20 0 EDADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC000903238305 592142477 /nfs/dbraw/zinc/14/24/77/592142477.db2.gz ZMYKSXVJLLPWRN-CABZTGNLSA-N 2 1 346.353 1.084 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC000903238305 592142479 /nfs/dbraw/zinc/14/24/79/592142479.db2.gz ZMYKSXVJLLPWRN-CABZTGNLSA-N 2 1 346.353 1.084 20 0 EDADMP C[C@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900801536 592143029 /nfs/dbraw/zinc/14/30/29/592143029.db2.gz BLYKBNVFEOTNKS-YOEHRIQHSA-N 2 1 343.475 1.655 20 0 EDADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@]3(CO)COCCN3C)CC2)C1 ZINC000903279499 592150702 /nfs/dbraw/zinc/15/07/02/592150702.db2.gz JZWJUZCQHAGCMD-QRQLOZEOSA-N 2 1 339.524 1.312 20 0 EDADMP C[C@@H]1C[C@@H](C)CN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC000903513068 592191774 /nfs/dbraw/zinc/19/17/74/592191774.db2.gz PNXWELOKQOVPND-RWQQGDIJSA-N 2 1 348.535 1.392 20 0 EDADMP O=C(CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1)N1CC[NH2+]CC1 ZINC000903565001 592212070 /nfs/dbraw/zinc/21/20/70/592212070.db2.gz BTIZVUSMDCXHAB-CQSZACIVSA-N 2 1 348.516 1.633 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000906649321 592233768 /nfs/dbraw/zinc/23/37/68/592233768.db2.gz COXGCUVKAWOEJJ-AWEZNQCLSA-N 2 1 330.432 1.172 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906670296 592251829 /nfs/dbraw/zinc/25/18/29/592251829.db2.gz LAYJACMLNOZPAJ-INIZCTEOSA-N 2 1 346.475 1.810 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000901134845 592252816 /nfs/dbraw/zinc/25/28/16/592252816.db2.gz IYYDHAIORODDTG-QZTJIDSGSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000901134845 592252820 /nfs/dbraw/zinc/25/28/20/592252820.db2.gz IYYDHAIORODDTG-QZTJIDSGSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000901134845 592252825 /nfs/dbraw/zinc/25/28/25/592252825.db2.gz IYYDHAIORODDTG-QZTJIDSGSA-N 2 1 336.524 1.345 20 0 EDADMP Cc1csc(C[C@@H]2CC[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)n1 ZINC000904432621 592254950 /nfs/dbraw/zinc/25/49/50/592254950.db2.gz DFXOXZPDQOTBQH-GJZGRUSLSA-N 2 1 336.505 1.513 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000906679547 592260967 /nfs/dbraw/zinc/26/09/67/592260967.db2.gz ULEOIWVMLRYOTM-HNNXBMFYSA-N 2 1 346.475 1.808 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000901159958 592271290 /nfs/dbraw/zinc/27/12/90/592271290.db2.gz ODNBIDKPZVEFPR-UHFFFAOYSA-N 2 1 349.523 1.846 20 0 EDADMP CN1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@@H+](C)CC1 ZINC000904529813 592280017 /nfs/dbraw/zinc/28/00/17/592280017.db2.gz IEYDPVZBINCYFA-DLBZAZTESA-N 2 1 331.464 1.212 20 0 EDADMP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903730781 592287431 /nfs/dbraw/zinc/28/74/31/592287431.db2.gz ZEBZBHPRFCWTIJ-QUCCMNQESA-N 2 1 345.487 1.979 20 0 EDADMP COC(=O)CC[N@@H+](C[C@H]1CCCO1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753781 592297113 /nfs/dbraw/zinc/29/71/13/592297113.db2.gz YDCNMFTUJWECBW-HZPDHXFCSA-N 2 1 340.464 1.189 20 0 EDADMP C([C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCOCC1 ZINC000903735874 592298857 /nfs/dbraw/zinc/29/88/57/592298857.db2.gz DVKGXFMGZHHEPT-ROUUACIJSA-N 2 1 337.508 1.332 20 0 EDADMP C1CO[C@H]([C@@H]2C[C@H](c3nc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)CC[NH2+]2)C1 ZINC000904637189 592300685 /nfs/dbraw/zinc/30/06/85/592300685.db2.gz IMTIGTGLCKEDAU-OWYFMNJBSA-N 2 1 348.447 1.620 20 0 EDADMP C1CO[C@H]([C@@H]2C[C@H](c3nc([C@@H]4C[N@H+]5CCC[C@@H]5CO4)no3)CC[NH2+]2)C1 ZINC000904637189 592300691 /nfs/dbraw/zinc/30/06/91/592300691.db2.gz IMTIGTGLCKEDAU-OWYFMNJBSA-N 2 1 348.447 1.620 20 0 EDADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000903740143 592301144 /nfs/dbraw/zinc/30/11/44/592301144.db2.gz SEFWTWSBMCAXFN-HOTGVXAUSA-N 2 1 345.491 1.562 20 0 EDADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903739914 592301892 /nfs/dbraw/zinc/30/18/92/592301892.db2.gz BBRBSAKYUAULOM-JENIJYKNSA-N 2 1 330.476 1.892 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903739914 592301896 /nfs/dbraw/zinc/30/18/96/592301896.db2.gz BBRBSAKYUAULOM-JENIJYKNSA-N 3 1 330.476 1.892 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903739914 592301900 /nfs/dbraw/zinc/30/19/00/592301900.db2.gz BBRBSAKYUAULOM-JENIJYKNSA-N 3 1 330.476 1.892 20 0 EDADMP CN(C)c1nc(N)nc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)n1 ZINC000903793038 592315613 /nfs/dbraw/zinc/31/56/13/592315613.db2.gz LFJPTOROOKDMFO-UHFFFAOYSA-N 2 1 341.463 1.012 20 0 EDADMP COCC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)CC1CC[NH+](C)CC1 ZINC000903776801 592319632 /nfs/dbraw/zinc/31/96/32/592319632.db2.gz WFBOUVSTZPRTGN-SFHVURJKSA-N 3 1 339.524 1.435 20 0 EDADMP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903780802 592320443 /nfs/dbraw/zinc/32/04/43/592320443.db2.gz LVMRXLNUTHNDDI-MLHJIOFPSA-N 2 1 337.508 1.508 20 0 EDADMP FC(F)(F)c1ccnc([C@H]2CC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000903825696 592333835 /nfs/dbraw/zinc/33/38/35/592333835.db2.gz COKYROYNRQJBMK-RYUDHWBXSA-N 2 1 342.365 1.806 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCN(Cc3ccccc3)CC1)C2 ZINC000903843470 592343019 /nfs/dbraw/zinc/34/30/19/592343019.db2.gz LMUBICVSKABUNN-OTWHNJEPSA-N 2 1 342.487 1.142 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCN(Cc3ccccc3)CC1)C2 ZINC000903843470 592343025 /nfs/dbraw/zinc/34/30/25/592343025.db2.gz LMUBICVSKABUNN-OTWHNJEPSA-N 2 1 342.487 1.142 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC[C@@H]2CN2CCOCC2)cnn1C ZINC000903891092 592352386 /nfs/dbraw/zinc/35/23/86/592352386.db2.gz JNZIGQRIRQPLAJ-IEBWSBKVSA-N 2 1 349.523 1.033 20 0 EDADMP CCOC(=O)N[C@H]1CCC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903883200 592362498 /nfs/dbraw/zinc/36/24/98/592362498.db2.gz FKYDJSYGVDKXED-ZBFHGGJFSA-N 2 1 337.468 1.056 20 0 EDADMP CCOC(=O)N[C@H]1CCC[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903883200 592362502 /nfs/dbraw/zinc/36/25/02/592362502.db2.gz FKYDJSYGVDKXED-ZBFHGGJFSA-N 2 1 337.468 1.056 20 0 EDADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000908182512 592363897 /nfs/dbraw/zinc/36/38/97/592363897.db2.gz KOMPVDHFRGOVEZ-UHFFFAOYSA-N 2 1 336.480 1.053 20 0 EDADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000908182512 592363908 /nfs/dbraw/zinc/36/39/08/592363908.db2.gz KOMPVDHFRGOVEZ-UHFFFAOYSA-N 2 1 336.480 1.053 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cnn1C ZINC000903893251 592366703 /nfs/dbraw/zinc/36/67/03/592366703.db2.gz TVEZNVFTPWFANT-IAGOWNOFSA-N 2 1 347.507 1.180 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cnn1C ZINC000903898743 592368264 /nfs/dbraw/zinc/36/82/64/592368264.db2.gz OKKGYCGJVPAKGF-LESCRADOSA-N 2 1 330.480 1.626 20 0 EDADMP CCO[C@@H]1C[C@H]([N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)C12CCC2 ZINC000903898928 592370866 /nfs/dbraw/zinc/37/08/66/592370866.db2.gz PNYRALAKIOWJOW-HYVNUMGLSA-N 2 1 333.480 1.982 20 0 EDADMP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)C12CCC2 ZINC000903898928 592370871 /nfs/dbraw/zinc/37/08/71/592370871.db2.gz PNYRALAKIOWJOW-HYVNUMGLSA-N 2 1 333.480 1.982 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@@](C)(O)C(F)F)CC1 ZINC000905034502 592372901 /nfs/dbraw/zinc/37/29/01/592372901.db2.gz KLPLPRTWLRDMBP-GOSISDBHSA-N 2 1 341.446 1.930 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H](c3nccn3C)C2)cnn1C ZINC000903913973 592376056 /nfs/dbraw/zinc/37/60/56/592376056.db2.gz QYDMDMPSDIUQIU-CVEARBPZSA-N 2 1 330.480 1.459 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[NH2+]Cc2ccc(F)c(CN(C)C)c2)cnn1C ZINC000903924251 592379830 /nfs/dbraw/zinc/37/98/30/592379830.db2.gz AMYRFEUOMDAYKY-INIZCTEOSA-N 2 1 347.482 1.836 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cnn1C ZINC000903930283 592382780 /nfs/dbraw/zinc/38/27/80/592382780.db2.gz WGXWDSNSJMLKPL-AYOQOUSVSA-N 2 1 334.508 1.719 20 0 EDADMP Cc1cc(C2([NH2+]C[C@H](C[NH3+])Cc3cnn(C)c3C)CCOCC2)on1 ZINC000903934465 592386041 /nfs/dbraw/zinc/38/60/41/592386041.db2.gz IBIJUOHRXZRJER-HNNXBMFYSA-N 2 1 347.463 1.438 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@@H](O)CCC3(O)CCC3)CC2)nc(C)[nH+]1 ZINC000905154343 592423828 /nfs/dbraw/zinc/42/38/28/592423828.db2.gz JRVYARIVOZZPDS-KRWDZBQOSA-N 2 1 348.491 1.708 20 0 EDADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905147245 592437391 /nfs/dbraw/zinc/43/73/91/592437391.db2.gz QYXFGVZZBBBHQB-GOSISDBHSA-N 2 1 342.524 1.912 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C2CN(C)CC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC000906972571 592444817 /nfs/dbraw/zinc/44/48/17/592444817.db2.gz OPZYZGMURIGBNP-QFBILLFUSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C2CN(C)CC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000906972571 592444820 /nfs/dbraw/zinc/44/48/20/592444820.db2.gz OPZYZGMURIGBNP-QFBILLFUSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000906972571 592444823 /nfs/dbraw/zinc/44/48/23/592444823.db2.gz OPZYZGMURIGBNP-QFBILLFUSA-N 2 1 344.503 1.259 20 0 EDADMP C[NH+](C)[C@H](CNS(=O)(=O)CC1CC[NH2+]CC1)c1cccs1 ZINC000905331223 592507982 /nfs/dbraw/zinc/50/79/82/592507982.db2.gz LHWBVJAOUSIPAV-CYBMUJFWSA-N 2 1 331.507 1.270 20 0 EDADMP Cc1ccc([C@H](CNS(=O)(=O)CC2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000905334151 592509027 /nfs/dbraw/zinc/50/90/27/592509027.db2.gz DDNNNQVKISTPKN-KRWDZBQOSA-N 2 1 339.505 1.517 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000907089770 592515979 /nfs/dbraw/zinc/51/59/79/592515979.db2.gz GNHFGVNUPSPFSB-BSDSXHPESA-N 2 1 337.508 1.819 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000905475169 592536653 /nfs/dbraw/zinc/53/66/53/592536653.db2.gz SDFCJWWMOYFESH-UXHICEINSA-N 2 1 346.446 1.812 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000905475169 592536656 /nfs/dbraw/zinc/53/66/56/592536656.db2.gz SDFCJWWMOYFESH-UXHICEINSA-N 2 1 346.446 1.812 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)CC1 ZINC000908573792 592544848 /nfs/dbraw/zinc/54/48/48/592544848.db2.gz QPYPFCVHUBJMNF-UHFFFAOYSA-N 2 1 336.524 1.491 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[N@H+](C)C3(CCCCC3)C2)CC1 ZINC000908573792 592544850 /nfs/dbraw/zinc/54/48/50/592544850.db2.gz QPYPFCVHUBJMNF-UHFFFAOYSA-N 2 1 336.524 1.491 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)CC1 ZINC000908573792 592544851 /nfs/dbraw/zinc/54/48/51/592544851.db2.gz QPYPFCVHUBJMNF-UHFFFAOYSA-N 2 1 336.524 1.491 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)COC(C)C)C2)[C@@H]1C(C)C ZINC000905502905 592546107 /nfs/dbraw/zinc/54/61/07/592546107.db2.gz LWWOQGYUOZKPMJ-OBVSXPTNSA-N 2 1 328.497 1.232 20 0 EDADMP CO[C@H]1CCN(Cc2nc(C(=O)N3CC[N@H+](C)CC3(C)C)co2)C1 ZINC000907182630 592549226 /nfs/dbraw/zinc/54/92/26/592549226.db2.gz HBTMKLHYKISIKJ-ZDUSSCGKSA-N 2 1 336.436 1.062 20 0 EDADMP CO[C@H]1CCN(Cc2nc(C(=O)N3CC[N@@H+](C)CC3(C)C)co2)C1 ZINC000907182630 592549229 /nfs/dbraw/zinc/54/92/29/592549229.db2.gz HBTMKLHYKISIKJ-ZDUSSCGKSA-N 2 1 336.436 1.062 20 0 EDADMP CC[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000905553624 592574331 /nfs/dbraw/zinc/57/43/31/592574331.db2.gz UGKPHFMVZMXOBR-RBUKOAKNSA-N 2 1 335.492 1.180 20 0 EDADMP CC[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000905553624 592574333 /nfs/dbraw/zinc/57/43/33/592574333.db2.gz UGKPHFMVZMXOBR-RBUKOAKNSA-N 2 1 335.492 1.180 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000905632604 592591545 /nfs/dbraw/zinc/59/15/45/592591545.db2.gz FYDAESJGLFWDLB-RBSFLKMASA-N 2 1 342.578 1.515 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000905632604 592591547 /nfs/dbraw/zinc/59/15/47/592591547.db2.gz FYDAESJGLFWDLB-RBSFLKMASA-N 2 1 342.578 1.515 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000905632604 592591550 /nfs/dbraw/zinc/59/15/50/592591550.db2.gz FYDAESJGLFWDLB-RBSFLKMASA-N 2 1 342.578 1.515 20 0 EDADMP COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000905655683 592597940 /nfs/dbraw/zinc/59/79/40/592597940.db2.gz XZFZSKBZWBJDPW-SPOLIRPYSA-N 2 1 346.471 1.657 20 0 EDADMP COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000905655683 592597942 /nfs/dbraw/zinc/59/79/42/592597942.db2.gz XZFZSKBZWBJDPW-SPOLIRPYSA-N 2 1 346.471 1.657 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C)C1CC1 ZINC000905691675 592606316 /nfs/dbraw/zinc/60/63/16/592606316.db2.gz WXXDKHXSDWCBND-CAOSSQGBSA-N 2 1 339.480 1.572 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C)C1CC1 ZINC000905691675 592606319 /nfs/dbraw/zinc/60/63/19/592606319.db2.gz WXXDKHXSDWCBND-CAOSSQGBSA-N 2 1 339.480 1.572 20 0 EDADMP CCOC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)nc1 ZINC000905701960 592615640 /nfs/dbraw/zinc/61/56/40/592615640.db2.gz ANHVBLJSGUVOGG-CALCHBBNSA-N 2 1 344.459 1.663 20 0 EDADMP COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CCS2 ZINC000905694861 592625455 /nfs/dbraw/zinc/62/54/55/592625455.db2.gz JKLMHMQUXUGFIZ-PTSUJKEJSA-N 2 1 342.505 1.249 20 0 EDADMP COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CCS2 ZINC000905694861 592625456 /nfs/dbraw/zinc/62/54/56/592625456.db2.gz JKLMHMQUXUGFIZ-PTSUJKEJSA-N 2 1 342.505 1.249 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccn1CCN1CCOCC1 ZINC000906238457 592768605 /nfs/dbraw/zinc/76/86/05/592768605.db2.gz DVLZXSJDGAPICS-SJORKVTESA-N 2 1 346.475 1.177 20 0 EDADMP Cc1[nH+]ccn1[C@@H]1CCCN(Cc2cn(-c3ccn(C)n3)nn2)C1 ZINC000906262409 592776745 /nfs/dbraw/zinc/77/67/45/592776745.db2.gz DNNCPOMSNHBXOT-OAHLLOKOSA-N 2 1 326.408 1.343 20 0 EDADMP CN1CC[N@H+](C)CC(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)C1 ZINC000907908608 592840769 /nfs/dbraw/zinc/84/07/69/592840769.db2.gz RVOABAGNZWGLNW-UHFFFAOYSA-N 2 1 338.883 1.834 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)C1 ZINC000907908608 592840770 /nfs/dbraw/zinc/84/07/70/592840770.db2.gz RVOABAGNZWGLNW-UHFFFAOYSA-N 2 1 338.883 1.834 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000907928276 592848816 /nfs/dbraw/zinc/84/88/16/592848816.db2.gz BCGQUEQAJGDCRD-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP CC[C@@H]1C[N@H+](C)CCCN1C(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000907928276 592848821 /nfs/dbraw/zinc/84/88/21/592848821.db2.gz BCGQUEQAJGDCRD-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000907928276 592848822 /nfs/dbraw/zinc/84/88/22/592848822.db2.gz BCGQUEQAJGDCRD-GOSISDBHSA-N 2 1 338.540 1.735 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000910863206 592897882 /nfs/dbraw/zinc/89/78/82/592897882.db2.gz QADQRJXXIUHLHV-UHFFFAOYSA-N 2 1 327.513 1.660 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734270945 592959850 /nfs/dbraw/zinc/95/98/50/592959850.db2.gz BDIHUASIWLMNRO-INIZCTEOSA-N 2 1 335.452 1.134 20 0 EDADMP O=C(c1ccc(NC2=[NH+]CCC2)cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000911906321 593034975 /nfs/dbraw/zinc/03/49/75/593034975.db2.gz YOKBNEHXNSOEJZ-MRXNPFEDSA-N 2 1 328.416 1.182 20 0 EDADMP O=C(c1ccc(NC2=[NH+]CCC2)cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000911906321 593034976 /nfs/dbraw/zinc/03/49/76/593034976.db2.gz YOKBNEHXNSOEJZ-MRXNPFEDSA-N 2 1 328.416 1.182 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000812321974 593496161 /nfs/dbraw/zinc/49/61/61/593496161.db2.gz NEUQZNYGTKDTGQ-SFFUCWETSA-N 2 1 337.508 1.530 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000812321974 593496162 /nfs/dbraw/zinc/49/61/62/593496162.db2.gz NEUQZNYGTKDTGQ-SFFUCWETSA-N 2 1 337.508 1.530 20 0 EDADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000817893408 593646162 /nfs/dbraw/zinc/64/61/62/593646162.db2.gz SRQQBUIJQQDFRE-HOTGVXAUSA-N 2 1 325.478 1.356 20 0 EDADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000819003808 593733429 /nfs/dbraw/zinc/73/34/29/593733429.db2.gz HIXYZEXAUZOUFR-PBHICJAKSA-N 2 1 337.439 1.345 20 0 EDADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000819043345 593735165 /nfs/dbraw/zinc/73/51/65/593735165.db2.gz SHBBMEKBJRBPQL-GOSISDBHSA-N 2 1 333.476 1.561 20 0 EDADMP C[NH+](C)CCOc1ccc(NC[C@@H](O)C[N@@H+](C)C2CC2)cc1F ZINC000819491360 593756723 /nfs/dbraw/zinc/75/67/23/593756723.db2.gz DZTITYYYODOXDT-OAHLLOKOSA-N 2 1 325.428 1.633 20 0 EDADMP C[NH+]1CCC(OCC(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC1 ZINC000819973382 593780382 /nfs/dbraw/zinc/78/03/82/593780382.db2.gz HFMHBESOMJVXRX-KRWDZBQOSA-N 2 1 347.459 1.303 20 0 EDADMP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[NH+]1CCCC1 ZINC000820453188 593819683 /nfs/dbraw/zinc/81/96/83/593819683.db2.gz PCYFPEBHLWEFIE-UHFFFAOYSA-N 2 1 346.475 1.871 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cn1 ZINC000821501618 593847743 /nfs/dbraw/zinc/84/77/43/593847743.db2.gz ZVXQZKOJAHWWMB-CQSZACIVSA-N 2 1 336.484 1.687 20 0 EDADMP CNC(=O)c1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1 ZINC000820810812 593895056 /nfs/dbraw/zinc/89/50/56/593895056.db2.gz FPMSKIJPMAQGFW-YQQQUEKLSA-N 2 1 345.487 1.820 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C[C@@H]([NH3+])C3CC3)c2)CCO1 ZINC000827666160 594254055 /nfs/dbraw/zinc/25/40/55/594254055.db2.gz KOUONHPDXTWAKF-KBXCAEBGSA-N 2 1 331.460 1.651 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C[C@@H]([NH3+])C3CC3)c2)CCO1 ZINC000827666160 594254058 /nfs/dbraw/zinc/25/40/58/594254058.db2.gz KOUONHPDXTWAKF-KBXCAEBGSA-N 2 1 331.460 1.651 20 0 EDADMP Cn1c2ccc(CN3CCC([N@H+]4CC[C@H](O)C4)CC3)cc2oc1=O ZINC000827700431 594260249 /nfs/dbraw/zinc/26/02/49/594260249.db2.gz STRDAUFJTPIYPG-HNNXBMFYSA-N 2 1 331.416 1.163 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCCN(C=O)CC2)CC1 ZINC000827872501 594293942 /nfs/dbraw/zinc/29/39/42/594293942.db2.gz WEYRRSAAMSNMMB-UHFFFAOYSA-N 2 1 344.503 1.883 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]([NH3+])C3CC3)cc2)C1 ZINC000828139309 594350087 /nfs/dbraw/zinc/35/00/87/594350087.db2.gz PNSBOJZKRDAEGA-WBVHZDCISA-N 2 1 344.459 1.450 20 0 EDADMP C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000830301781 594371232 /nfs/dbraw/zinc/37/12/32/594371232.db2.gz VOZRNADELRWKRV-WBAXXEDZSA-N 2 1 331.460 1.520 20 0 EDADMP C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000830301781 594371235 /nfs/dbraw/zinc/37/12/35/594371235.db2.gz VOZRNADELRWKRV-WBAXXEDZSA-N 2 1 331.460 1.520 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000831476305 594638539 /nfs/dbraw/zinc/63/85/39/594638539.db2.gz XKBIELPQEPNIBJ-LZWOXQAQSA-N 2 1 325.815 1.903 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000831476305 594638540 /nfs/dbraw/zinc/63/85/40/594638540.db2.gz XKBIELPQEPNIBJ-LZWOXQAQSA-N 2 1 325.815 1.903 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cn1 ZINC000827451068 594673541 /nfs/dbraw/zinc/67/35/41/594673541.db2.gz ZAIPCGAAZGSDQQ-DLBZAZTESA-N 2 1 339.443 1.828 20 0 EDADMP CCO[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000831756400 594700006 /nfs/dbraw/zinc/70/00/06/594700006.db2.gz HSHAZKCYCCVUDX-RBUKOAKNSA-N 2 1 347.503 1.982 20 0 EDADMP C[N@H+](C[C@H](O)CN1CCCC1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831819250 594705071 /nfs/dbraw/zinc/70/50/71/594705071.db2.gz ZQAKOLZYCARZHH-HNNXBMFYSA-N 2 1 341.496 1.822 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(OCC[NH3+])c3)CC[C@@H]21 ZINC000841284349 594881117 /nfs/dbraw/zinc/88/11/17/594881117.db2.gz GRYRGMYHKSBEKW-PBHICJAKSA-N 2 1 332.448 1.972 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000841327208 594885533 /nfs/dbraw/zinc/88/55/33/594885533.db2.gz FBDWZYXCRFTKPG-JKSUJKDBSA-N 2 1 346.431 1.153 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)C[C@H](C)N1C ZINC000836209509 594938754 /nfs/dbraw/zinc/93/87/54/594938754.db2.gz BOHNCENTRHJNQY-OKILXGFUSA-N 2 1 328.420 1.501 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000841791465 594953603 /nfs/dbraw/zinc/95/36/03/594953603.db2.gz XJRWMCDHQMJJRY-ZACQAIPSSA-N 2 1 336.480 1.023 20 0 EDADMP COCCS(=O)(=O)CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386298 595096724 /nfs/dbraw/zinc/09/67/24/595096724.db2.gz FJRCSDPFAFXDCX-HOTGVXAUSA-N 2 1 332.510 1.149 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842514031 595124552 /nfs/dbraw/zinc/12/45/52/595124552.db2.gz ZIRWWYKCGQKBHO-MJGOQNOKSA-N 2 1 328.460 1.648 20 0 EDADMP [NH3+]CCCCCC[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000846217404 595176732 /nfs/dbraw/zinc/17/67/32/595176732.db2.gz GTJSASBVBGKDLH-UHFFFAOYSA-N 2 1 325.478 1.512 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCCCC1 ZINC000837766384 595190741 /nfs/dbraw/zinc/19/07/41/595190741.db2.gz DLRZTKBBWQPNJS-JKSUJKDBSA-N 2 1 326.485 1.007 20 0 EDADMP O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844173308 595291534 /nfs/dbraw/zinc/29/15/34/595291534.db2.gz TZNXUPVHQIGMAS-ROUUACIJSA-N 2 1 331.460 1.536 20 0 EDADMP Cc1ccc(N)cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000844192496 595298551 /nfs/dbraw/zinc/29/85/51/595298551.db2.gz UVLOLWIQAQIZMM-UHFFFAOYSA-N 2 1 325.416 1.976 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000846726224 595308378 /nfs/dbraw/zinc/30/83/78/595308378.db2.gz SSEQNIANCSEEJM-INIZCTEOSA-N 2 1 340.512 1.071 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)C[C@@H]2C1 ZINC000848103279 595319093 /nfs/dbraw/zinc/31/90/93/595319093.db2.gz LFRYRPUAMSMYKE-IXDOHACOSA-N 2 1 337.533 1.614 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H]3CCC(=O)NC3=O)C2)s1 ZINC000844327355 595325164 /nfs/dbraw/zinc/32/51/64/595325164.db2.gz QCJMSGXOLIXNCY-DZGCQCFKSA-N 2 1 335.473 1.615 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CC[C@@]3(CC3(F)F)C1)C[NH+]1CCC2CC1 ZINC000844760156 595391125 /nfs/dbraw/zinc/39/11/25/595391125.db2.gz VDIKFMUOKXCDFU-HUUCEWRRSA-N 2 1 327.375 1.592 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@@]3(CC3(F)F)C1)C[NH+]1CCC2CC1 ZINC000844760156 595391126 /nfs/dbraw/zinc/39/11/26/595391126.db2.gz VDIKFMUOKXCDFU-HUUCEWRRSA-N 2 1 327.375 1.592 20 0 EDADMP CC[N@H+](CCNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000847308326 595392786 /nfs/dbraw/zinc/39/27/86/595392786.db2.gz YSHKIDGCDVOFGO-HRCADAONSA-N 2 1 328.501 1.514 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000847308326 595392788 /nfs/dbraw/zinc/39/27/88/595392788.db2.gz YSHKIDGCDVOFGO-HRCADAONSA-N 2 1 328.501 1.514 20 0 EDADMP CC[NH+](CCNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000847308326 595392791 /nfs/dbraw/zinc/39/27/91/595392791.db2.gz YSHKIDGCDVOFGO-HRCADAONSA-N 2 1 328.501 1.514 20 0 EDADMP CC[NH+](CCNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000847308326 595392793 /nfs/dbraw/zinc/39/27/93/595392793.db2.gz YSHKIDGCDVOFGO-HRCADAONSA-N 2 1 328.501 1.514 20 0 EDADMP C[C@H](CNC(=S)NCC(C)(C)C[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848648408 595421960 /nfs/dbraw/zinc/42/19/60/595421960.db2.gz ZCMIURKZXMGPMH-KFWWJZLASA-N 2 1 344.569 1.536 20 0 EDADMP C[C@H](CNC(=S)NCC(C)(C)C[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848648408 595421962 /nfs/dbraw/zinc/42/19/62/595421962.db2.gz ZCMIURKZXMGPMH-KFWWJZLASA-N 2 1 344.569 1.536 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)COc1c(C)cccc1C ZINC000849066385 595477055 /nfs/dbraw/zinc/47/70/55/595477055.db2.gz DPEMMTAOXIBPLX-IAGOWNOFSA-N 2 1 348.491 1.641 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H]4C[C@]4(CO)C3)CC2)CC1 ZINC000847851719 595492890 /nfs/dbraw/zinc/49/28/90/595492890.db2.gz XDPMCUVWDGJALJ-QFBILLFUSA-N 2 1 335.492 1.024 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852857828 595579041 /nfs/dbraw/zinc/57/90/41/595579041.db2.gz HIQVBYAANFARKR-WMLDXEAASA-N 2 1 344.459 1.638 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849598332 595587591 /nfs/dbraw/zinc/58/75/91/595587591.db2.gz ZNZUFWPIYAXFAQ-RYQLBKOJSA-N 2 1 349.523 1.692 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849598332 595587593 /nfs/dbraw/zinc/58/75/93/595587593.db2.gz ZNZUFWPIYAXFAQ-RYQLBKOJSA-N 2 1 349.523 1.692 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849598332 595587595 /nfs/dbraw/zinc/58/75/95/595587595.db2.gz ZNZUFWPIYAXFAQ-RYQLBKOJSA-N 2 1 349.523 1.692 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NCC2([NH+](C)C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849599664 595589112 /nfs/dbraw/zinc/58/91/12/595589112.db2.gz BCGOVSDDTGQWRA-IRXDYDNUSA-N 2 1 347.507 1.444 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC2CCC([NH+](C)C)CC2)cn1 ZINC000849603185 595590086 /nfs/dbraw/zinc/59/00/86/595590086.db2.gz CUBZPFYTPMTVLD-ZGUYJTEBSA-N 2 1 347.507 1.444 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccccn3)cc2)CC1 ZINC000853097794 595664289 /nfs/dbraw/zinc/66/42/89/595664289.db2.gz FKBWAHKFROHGPW-HXUWFJFHSA-N 2 1 340.471 1.652 20 0 EDADMP CC(C)[C@@H]1CCN(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000853499545 595770317 /nfs/dbraw/zinc/77/03/17/595770317.db2.gz SKORUJYZBBWNPB-SFHVURJKSA-N 2 1 337.508 1.883 20 0 EDADMP [NH3+]C[C@H]1CCCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000851676964 595880875 /nfs/dbraw/zinc/88/08/75/595880875.db2.gz PUNGZUXLARSLIG-BZUAXINKSA-N 2 1 336.480 1.010 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1cccc(F)n1 ZINC000853886286 595911712 /nfs/dbraw/zinc/91/17/12/595911712.db2.gz QOOPQJHHDCFRHY-ZDUSSCGKSA-N 2 1 325.432 1.292 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1cccc(F)n1 ZINC000853886286 595911715 /nfs/dbraw/zinc/91/17/15/595911715.db2.gz QOOPQJHHDCFRHY-ZDUSSCGKSA-N 2 1 325.432 1.292 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3ccnn3C)C2)ccn1 ZINC000856585024 596022118 /nfs/dbraw/zinc/02/21/18/596022118.db2.gz XKTLHCOLDMRQED-LJQANCHMSA-N 2 1 343.475 1.963 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3ccnn3C)C2)ccn1 ZINC000856585024 596022122 /nfs/dbraw/zinc/02/21/22/596022122.db2.gz XKTLHCOLDMRQED-LJQANCHMSA-N 2 1 343.475 1.963 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3ccnn3C)C2)ccn1 ZINC000856585024 596022130 /nfs/dbraw/zinc/02/21/30/596022130.db2.gz XKTLHCOLDMRQED-LJQANCHMSA-N 2 1 343.475 1.963 20 0 EDADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H]3CCN(C)C3=O)C2)ccn1 ZINC000856590968 596025193 /nfs/dbraw/zinc/02/51/93/596025193.db2.gz FYXDUWYEDXRRHL-SJORKVTESA-N 2 1 332.448 1.217 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H]3CCN(C)C3=O)C2)ccn1 ZINC000856590968 596025198 /nfs/dbraw/zinc/02/51/98/596025198.db2.gz FYXDUWYEDXRRHL-SJORKVTESA-N 2 1 332.448 1.217 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)ccn1 ZINC000856590968 596025203 /nfs/dbraw/zinc/02/52/03/596025203.db2.gz FYXDUWYEDXRRHL-SJORKVTESA-N 2 1 332.448 1.217 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)ccn1 ZINC000856590968 596025205 /nfs/dbraw/zinc/02/52/05/596025205.db2.gz FYXDUWYEDXRRHL-SJORKVTESA-N 2 1 332.448 1.217 20 0 EDADMP C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000861552466 596027765 /nfs/dbraw/zinc/02/77/65/596027765.db2.gz NRSPHINSIIGSJQ-OAGGEKHMSA-N 2 1 348.491 1.784 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CNC(=O)C3)C2)ccn1 ZINC000856605498 596032732 /nfs/dbraw/zinc/03/27/32/596032732.db2.gz CKMGWIBSFZHTBE-QAPCUYQASA-N 2 1 346.475 1.511 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CNC(=O)C3)C2)ccn1 ZINC000856605498 596032736 /nfs/dbraw/zinc/03/27/36/596032736.db2.gz CKMGWIBSFZHTBE-QAPCUYQASA-N 2 1 346.475 1.511 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CNC(=O)C3)C2)ccn1 ZINC000856605498 596032741 /nfs/dbraw/zinc/03/27/41/596032741.db2.gz CKMGWIBSFZHTBE-QAPCUYQASA-N 2 1 346.475 1.511 20 0 EDADMP CCc1noc(C[C@]2(O)CCC[N@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000856677188 596046751 /nfs/dbraw/zinc/04/67/51/596046751.db2.gz OFIPNFVGKQSZGX-GOSISDBHSA-N 2 1 347.463 1.987 20 0 EDADMP CCc1noc(C[C@]2(O)CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000856677188 596046755 /nfs/dbraw/zinc/04/67/55/596046755.db2.gz OFIPNFVGKQSZGX-GOSISDBHSA-N 2 1 347.463 1.987 20 0 EDADMP C[C@@H]1C[C@@H]1C[N@@H+](CCCC[NH+](C)[C@H]1CCOC1=O)[C@H]1CCOC1=O ZINC000859741384 596180880 /nfs/dbraw/zinc/18/08/80/596180880.db2.gz HZLRMQWDFDDURN-WCVJEAGWSA-N 2 1 338.448 1.287 20 0 EDADMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@H+](C)[C@H]1CCOC1=O)[C@H]1CCOC1=O ZINC000859741384 596180882 /nfs/dbraw/zinc/18/08/82/596180882.db2.gz HZLRMQWDFDDURN-WCVJEAGWSA-N 2 1 338.448 1.287 20 0 EDADMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@@H+](C)[C@H]1CCOC1=O)[C@H]1CCOC1=O ZINC000859741384 596180884 /nfs/dbraw/zinc/18/08/84/596180884.db2.gz HZLRMQWDFDDURN-WCVJEAGWSA-N 2 1 338.448 1.287 20 0 EDADMP COc1ccc(OC)c2c1C[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C[C@@H]2O ZINC000852744426 596237481 /nfs/dbraw/zinc/23/74/81/596237481.db2.gz CGBHLTAEICKRRP-OCCSQVGLSA-N 2 1 334.416 1.074 20 0 EDADMP COc1ccc(OC)c2c1C[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C[C@@H]2O ZINC000852744426 596237482 /nfs/dbraw/zinc/23/74/82/596237482.db2.gz CGBHLTAEICKRRP-OCCSQVGLSA-N 2 1 334.416 1.074 20 0 EDADMP CCC[NH+]1CCC([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000866523370 596241191 /nfs/dbraw/zinc/24/11/91/596241191.db2.gz NKLDYMOJINQXIP-UHFFFAOYSA-N 2 1 344.459 1.702 20 0 EDADMP Cc1cccnc1NC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000866668040 596286278 /nfs/dbraw/zinc/28/62/78/596286278.db2.gz GYMVUZDWBHBEHF-MRXNPFEDSA-N 2 1 332.448 1.419 20 0 EDADMP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710396 596303956 /nfs/dbraw/zinc/30/39/56/596303956.db2.gz QDABRXCNEHBJLB-BVIHXZOGSA-N 2 1 337.370 1.893 20 0 EDADMP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710396 596303959 /nfs/dbraw/zinc/30/39/59/596303959.db2.gz QDABRXCNEHBJLB-BVIHXZOGSA-N 2 1 337.370 1.893 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](CCC2SCCS2)C1 ZINC000866711832 596305030 /nfs/dbraw/zinc/30/50/30/596305030.db2.gz OWHILTBQZFWNGP-SDDRHHMPSA-N 2 1 329.491 1.050 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000866712976 596305721 /nfs/dbraw/zinc/30/57/21/596305721.db2.gz ZFMSZICFODBJRB-DFBGVHRSSA-N 2 1 337.807 1.413 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000866712976 596305722 /nfs/dbraw/zinc/30/57/22/596305722.db2.gz ZFMSZICFODBJRB-DFBGVHRSSA-N 2 1 337.807 1.413 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000862959753 596466338 /nfs/dbraw/zinc/46/63/38/596466338.db2.gz AMSLUVQNSXHODU-UHFFFAOYSA-N 2 1 334.464 1.685 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000867810319 596562953 /nfs/dbraw/zinc/56/29/53/596562953.db2.gz YLYARSGUBZRPMP-RDJZCZTQSA-N 2 1 337.489 1.463 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CC(C)(C)CC[C@H]3O)cn2)CC1 ZINC000865699547 596653321 /nfs/dbraw/zinc/65/33/21/596653321.db2.gz AQOYOAUELHUADT-HZPDHXFCSA-N 2 1 333.480 1.258 20 0 EDADMP CN(CC(F)(F)F)C(=O)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871786284 596700566 /nfs/dbraw/zinc/70/05/66/596700566.db2.gz WZLKHODYBKZPNJ-FGWVZKOKSA-N 2 1 336.358 1.378 20 0 EDADMP CN(CC(F)(F)F)C(=O)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871786284 596700568 /nfs/dbraw/zinc/70/05/68/596700568.db2.gz WZLKHODYBKZPNJ-FGWVZKOKSA-N 2 1 336.358 1.378 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868237255 596740320 /nfs/dbraw/zinc/74/03/20/596740320.db2.gz CILKGRKVWBAIPX-RRQGHBQHSA-N 2 1 344.459 1.240 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868254953 596749611 /nfs/dbraw/zinc/74/96/11/596749611.db2.gz KGHQUHKMCHUBDX-HRCADAONSA-N 2 1 330.432 1.040 20 0 EDADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCO1 ZINC000872032927 596798683 /nfs/dbraw/zinc/79/86/83/596798683.db2.gz CKGWRRNAXPQRIX-OAGGEKHMSA-N 2 1 325.497 1.757 20 0 EDADMP C[NH+](C)C1(C)CCC(NC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000868355740 596798871 /nfs/dbraw/zinc/79/88/71/596798871.db2.gz MVUAJQCUXNXERX-UHFFFAOYSA-N 2 1 328.526 1.597 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000872145444 596810496 /nfs/dbraw/zinc/81/04/96/596810496.db2.gz SOISBKZVHOOGSN-PFPDTZPXSA-N 2 1 348.491 1.164 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](CCc2nnnn2-c2ccccc2)C[C@@H]1C(F)(F)F ZINC000872151601 596813526 /nfs/dbraw/zinc/81/35/26/596813526.db2.gz WQLKQGLPSNRSRY-AAEUAGOBSA-N 2 1 340.353 1.274 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CCc2nnnn2-c2ccccc2)C[C@@H]1C(F)(F)F ZINC000872151601 596813528 /nfs/dbraw/zinc/81/35/28/596813528.db2.gz WQLKQGLPSNRSRY-AAEUAGOBSA-N 2 1 340.353 1.274 20 0 EDADMP Cn1c(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc(=O)n(C)c1=O ZINC000872156457 596815887 /nfs/dbraw/zinc/81/58/87/596815887.db2.gz JXVFCZKGTBLWTJ-WMLDXEAASA-N 2 1 348.491 1.204 20 0 EDADMP CCC(CC)[C@H](CNC(=S)NCCC[NH+]1CCOCC1)[NH+](C)C ZINC000874072287 596916937 /nfs/dbraw/zinc/91/69/37/596916937.db2.gz SYCWPTGIEBTRPN-INIZCTEOSA-N 2 1 344.569 1.539 20 0 EDADMP C[NH+](C)C1CCC(NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000875676288 596943522 /nfs/dbraw/zinc/94/35/22/596943522.db2.gz FRBNPCWYWCQEGG-SLTAFYQDSA-N 2 1 326.485 1.004 20 0 EDADMP COCC[N@H+](CC1CC[NH+](C)CC1)CN1C[C@H](C(F)F)CC1=O ZINC000872632040 597000892 /nfs/dbraw/zinc/00/08/92/597000892.db2.gz RRCVNTVQGXGFOE-CQSZACIVSA-N 2 1 333.423 1.348 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CN1C[C@H](C(F)F)CC1=O ZINC000872632040 597000896 /nfs/dbraw/zinc/00/08/96/597000896.db2.gz RRCVNTVQGXGFOE-CQSZACIVSA-N 2 1 333.423 1.348 20 0 EDADMP Cc1[nH+]ccn1CC(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000876520111 597228915 /nfs/dbraw/zinc/22/89/15/597228915.db2.gz GGSHMXCUYKJYGQ-UHFFFAOYSA-N 2 1 342.399 1.739 20 0 EDADMP COc1ccc([C@@H](N[C@H]2CC[N@@H+](CC(C)(C)O)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000873235113 597234718 /nfs/dbraw/zinc/23/47/18/597234718.db2.gz JHOONSUBDXXTGS-YTQUADARSA-N 2 1 347.503 1.923 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000875005112 597240579 /nfs/dbraw/zinc/24/05/79/597240579.db2.gz IQXWIGPJWBBLKB-QYZOEREBSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000875005112 597240580 /nfs/dbraw/zinc/24/05/80/597240580.db2.gz IQXWIGPJWBBLKB-QYZOEREBSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000875005112 597240581 /nfs/dbraw/zinc/24/05/81/597240581.db2.gz IQXWIGPJWBBLKB-QYZOEREBSA-N 2 1 342.487 1.997 20 0 EDADMP Cn1ncc(I)c1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000873275117 597244930 /nfs/dbraw/zinc/24/49/30/597244930.db2.gz CEITWQNKNCHMLX-MWLCHTKSSA-N 2 1 348.232 1.632 20 0 EDADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)c1 ZINC000876737223 597314086 /nfs/dbraw/zinc/31/40/86/597314086.db2.gz PYRNKAZUKQKVKO-GJZGRUSLSA-N 2 1 325.403 1.983 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876769694 597332284 /nfs/dbraw/zinc/33/22/84/597332284.db2.gz XXVLTOUBJKNWKG-OWCLPIDISA-N 2 1 345.491 1.082 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[N@@H+](C)C1CC1 ZINC000875240078 597348378 /nfs/dbraw/zinc/34/83/78/597348378.db2.gz NLBFWUWWWMWKHN-OAHLLOKOSA-N 2 1 338.496 1.223 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000875240826 597348528 /nfs/dbraw/zinc/34/85/28/597348528.db2.gz SKANMOYKBXEZSG-OAHLLOKOSA-N 2 1 340.512 1.469 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000876897142 597375886 /nfs/dbraw/zinc/37/58/86/597375886.db2.gz QBQYZMYKTPBQTB-KZNAEPCWSA-N 2 1 345.487 1.767 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000875346949 597393565 /nfs/dbraw/zinc/39/35/65/597393565.db2.gz TZUORMDQUUHJCX-QLFBSQMISA-N 2 1 326.485 1.004 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000877004895 597409448 /nfs/dbraw/zinc/40/94/48/597409448.db2.gz VFHYHHUNYIUVDQ-FUHWJXTLSA-N 2 1 344.459 1.459 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000877229388 597469020 /nfs/dbraw/zinc/46/90/20/597469020.db2.gz LQQLLQLJKCOTBV-SJLPKXTDSA-N 2 1 333.476 1.700 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000877229388 597469021 /nfs/dbraw/zinc/46/90/21/597469021.db2.gz LQQLLQLJKCOTBV-SJLPKXTDSA-N 2 1 333.476 1.700 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877250093 597479546 /nfs/dbraw/zinc/47/95/46/597479546.db2.gz NHYIUPLVTSAXRO-DZJNRPSUSA-N 2 1 331.460 1.472 20 0 EDADMP C[C@@]12CN(C(=O)[C@H](F)[C@@H]3CC[NH2+]C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877352730 597498820 /nfs/dbraw/zinc/49/88/20/597498820.db2.gz JBWZRSYFFMUVNG-AJYBTWMASA-N 2 1 345.462 1.915 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@]3(OC)CCOC3)C2)ccn1 ZINC000877645429 597544143 /nfs/dbraw/zinc/54/41/43/597544143.db2.gz KWAZJVJNKCFNLR-RBUKOAKNSA-N 2 1 349.475 1.792 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@]3(OC)CCOC3)C2)ccn1 ZINC000877645429 597544144 /nfs/dbraw/zinc/54/41/44/597544144.db2.gz KWAZJVJNKCFNLR-RBUKOAKNSA-N 2 1 349.475 1.792 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@]3(OC)CCOC3)C2)ccn1 ZINC000877645429 597544145 /nfs/dbraw/zinc/54/41/45/597544145.db2.gz KWAZJVJNKCFNLR-RBUKOAKNSA-N 2 1 349.475 1.792 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[N@H+](C)C(C)(C)CC3)cn2)CC1 ZINC000877701354 597548684 /nfs/dbraw/zinc/54/86/84/597548684.db2.gz SCGUMQSKUZQENI-UHFFFAOYSA-N 2 1 332.496 1.145 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[N@@H+](C)C(C)(C)CC3)cn2)CC1 ZINC000877701354 597548685 /nfs/dbraw/zinc/54/86/85/597548685.db2.gz SCGUMQSKUZQENI-UHFFFAOYSA-N 2 1 332.496 1.145 20 0 EDADMP C[N@H+](CCOc1cccc(Cl)c1)CC(=O)NC1CC[NH+](C)CC1 ZINC000877894543 597562335 /nfs/dbraw/zinc/56/23/35/597562335.db2.gz QSEVZVKCNIJOFE-UHFFFAOYSA-N 2 1 339.867 1.861 20 0 EDADMP C[N@@H+](CCOc1cccc(Cl)c1)CC(=O)NC1CC[NH+](C)CC1 ZINC000877894543 597562336 /nfs/dbraw/zinc/56/23/36/597562336.db2.gz QSEVZVKCNIJOFE-UHFFFAOYSA-N 2 1 339.867 1.861 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000877917922 597563932 /nfs/dbraw/zinc/56/39/32/597563932.db2.gz JHXPXTYSECIACC-UHFFFAOYSA-N 2 1 329.444 1.692 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000877917922 597563933 /nfs/dbraw/zinc/56/39/33/597563933.db2.gz JHXPXTYSECIACC-UHFFFAOYSA-N 2 1 329.444 1.692 20 0 EDADMP C[NH+]1CCC(NC(=O)C[NH+]2CCC3(CC2)OCc2ccccc23)CC1 ZINC000878191428 597585549 /nfs/dbraw/zinc/58/55/49/597585549.db2.gz XLHJFWUKPRQXTG-UHFFFAOYSA-N 2 1 343.471 1.718 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CC4(CCC4)CO3)CC2)CC1 ZINC000878246145 597589604 /nfs/dbraw/zinc/58/96/04/597589604.db2.gz MTXBCQORLZWCMK-GOSISDBHSA-N 2 1 349.519 1.822 20 0 EDADMP CN(CC[N@@H+](C)C[C@H]1CC2(CO1)CCOCC2)C1CC[NH+](C)CC1 ZINC000878311424 597594611 /nfs/dbraw/zinc/59/46/11/597594611.db2.gz KZVNHBYQJNZKMW-GOSISDBHSA-N 2 1 339.524 1.530 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C/C=C\CN3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)CC[C@H]21 ZINC000879577942 597640607 /nfs/dbraw/zinc/64/06/07/597640607.db2.gz OREFNVBZFSWAOG-DNEJTPGNSA-N 2 1 332.536 1.595 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879578886 597640677 /nfs/dbraw/zinc/64/06/77/597640677.db2.gz IIAMLUTUEVNWIK-ILXRZTDVSA-N 2 1 327.469 1.288 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879578886 597640680 /nfs/dbraw/zinc/64/06/80/597640680.db2.gz IIAMLUTUEVNWIK-ILXRZTDVSA-N 2 1 327.469 1.288 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879578886 597640682 /nfs/dbraw/zinc/64/06/82/597640682.db2.gz IIAMLUTUEVNWIK-ILXRZTDVSA-N 2 1 327.469 1.288 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879578886 597640685 /nfs/dbraw/zinc/64/06/85/597640685.db2.gz IIAMLUTUEVNWIK-ILXRZTDVSA-N 2 1 327.469 1.288 20 0 EDADMP C[N@@H+]1CC[C@H]2C[NH+](CCCON3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000879579402 597642388 /nfs/dbraw/zinc/64/23/88/597642388.db2.gz LACQBIXGCCERMB-YOEHRIQHSA-N 2 1 343.427 1.630 20 0 EDADMP C[N@H+]1CC[C@H]2C[NH+](CCCON3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000879579402 597642391 /nfs/dbraw/zinc/64/23/91/597642391.db2.gz LACQBIXGCCERMB-YOEHRIQHSA-N 2 1 343.427 1.630 20 0 EDADMP C[NH+]1CC[C@H]2C[N@H+](CCCON3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000879579402 597642393 /nfs/dbraw/zinc/64/23/93/597642393.db2.gz LACQBIXGCCERMB-YOEHRIQHSA-N 2 1 343.427 1.630 20 0 EDADMP C[NH+]1CC[C@H]2C[N@@H+](CCCON3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000879579402 597642395 /nfs/dbraw/zinc/64/23/95/597642395.db2.gz LACQBIXGCCERMB-YOEHRIQHSA-N 2 1 343.427 1.630 20 0 EDADMP C[NH+]1CCN(C2CC[NH+](C[C@H]3COc4ccccc4O3)CC2)CC1 ZINC000879591569 597648405 /nfs/dbraw/zinc/64/84/05/597648405.db2.gz PEIFFTDDAGAGQE-KRWDZBQOSA-N 2 1 331.460 1.538 20 0 EDADMP C[NH+]1CCN(C2CC[NH+](CCOCC(F)(F)C(F)F)CC2)CC1 ZINC000879595413 597650477 /nfs/dbraw/zinc/65/04/77/597650477.db2.gz BGLYNTBSMOJAIO-UHFFFAOYSA-N 2 1 341.393 1.615 20 0 EDADMP COC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@H]1CCCOC1 ZINC000883185592 597680301 /nfs/dbraw/zinc/68/03/01/597680301.db2.gz ANMRJLHFGWLSHE-ROUUACIJSA-N 2 1 327.513 1.291 20 0 EDADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CC1(O)CCS(=O)(=O)CC1 ZINC000879704704 597695484 /nfs/dbraw/zinc/69/54/84/597695484.db2.gz UDZCRQLFMPJFCL-UHFFFAOYSA-N 2 1 346.537 1.226 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(CCOCC2)O1 ZINC000883427272 597743557 /nfs/dbraw/zinc/74/35/57/597743557.db2.gz MTGPJRZFCKGJIM-JKSUJKDBSA-N 2 1 339.480 1.034 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)NCc2ccc(N3CCCC3=O)cc2)C[C@@H]1[NH3+] ZINC000883442271 597748612 /nfs/dbraw/zinc/74/86/12/597748612.db2.gz ICXIVUTXUNOYFI-JKSUJKDBSA-N 2 1 344.459 1.145 20 0 EDADMP CCOC(=O)c1sc([C@@H]2CC[N@@H+](CCOCC[NH3+])C2)nc1C ZINC000883448664 597750845 /nfs/dbraw/zinc/75/08/45/597750845.db2.gz MSGFNPVNMJRHIX-GFCCVEGCSA-N 2 1 327.450 1.393 20 0 EDADMP CC(C)(O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+]2CCC[C@H](C(C)(C)O)C2)C1 ZINC000879964301 597787158 /nfs/dbraw/zinc/78/71/58/597787158.db2.gz WQVSPEKXGWMSHG-BJWYYQGGSA-N 2 1 342.524 1.313 20 0 EDADMP CC(C)(O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCC[C@H](C(C)(C)O)C2)C1 ZINC000879964301 597787159 /nfs/dbraw/zinc/78/71/59/597787159.db2.gz WQVSPEKXGWMSHG-BJWYYQGGSA-N 2 1 342.524 1.313 20 0 EDADMP CC(C)(O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCC[C@H](C(C)(C)O)C2)C1 ZINC000879964301 597787160 /nfs/dbraw/zinc/78/71/60/597787160.db2.gz WQVSPEKXGWMSHG-BJWYYQGGSA-N 2 1 342.524 1.313 20 0 EDADMP CC(C)(O)[C@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@H](C(C)(C)O)C2)C1 ZINC000879964302 597787278 /nfs/dbraw/zinc/78/72/78/597787278.db2.gz WQVSPEKXGWMSHG-HOTGVXAUSA-N 2 1 342.524 1.313 20 0 EDADMP CC[N@H+](CCNC(=O)OC(C)(C)C)CC(=O)NC1CC[NH+](C)CC1 ZINC000879036508 597794958 /nfs/dbraw/zinc/79/49/58/597794958.db2.gz XYJYCRJWCRNXMA-UHFFFAOYSA-N 2 1 342.484 1.043 20 0 EDADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)CC(=O)NC1CC[NH+](C)CC1 ZINC000879036508 597794960 /nfs/dbraw/zinc/79/49/60/597794960.db2.gz XYJYCRJWCRNXMA-UHFFFAOYSA-N 2 1 342.484 1.043 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000883575532 597809446 /nfs/dbraw/zinc/80/94/46/597809446.db2.gz JHBKWAJPEXGFOE-JSGCOSHPSA-N 2 1 344.381 1.964 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883586599 597815000 /nfs/dbraw/zinc/81/50/00/597815000.db2.gz OLZQURIXJGFBGC-AEFFLSMTSA-N 2 1 343.475 1.797 20 0 EDADMP COCC[N@@H+](CC(=O)Nc1ccc(O)cc1)CC1CC[NH+](C)CC1 ZINC000879123639 597826203 /nfs/dbraw/zinc/82/62/03/597826203.db2.gz IDLWELAOFZVYFM-UHFFFAOYSA-N 2 1 335.448 1.621 20 0 EDADMP COCC[N@H+](CC(=O)Nc1ccc(O)cc1)CC1CC[NH+](C)CC1 ZINC000879123639 597826206 /nfs/dbraw/zinc/82/62/06/597826206.db2.gz IDLWELAOFZVYFM-UHFFFAOYSA-N 2 1 335.448 1.621 20 0 EDADMP CC(C)(O)[C@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](C(C)(C)O)C3)COC2)C1 ZINC000880148056 597857574 /nfs/dbraw/zinc/85/75/74/597857574.db2.gz PXLSAPLZUWLYSS-HOTGVXAUSA-N 2 1 340.508 1.189 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883701900 597868006 /nfs/dbraw/zinc/86/80/06/597868006.db2.gz YYTBMCXWGIUQCP-HNNXBMFYSA-N 2 1 340.512 1.658 20 0 EDADMP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000883893818 597933739 /nfs/dbraw/zinc/93/37/39/597933739.db2.gz RULSAWMKTFYKMF-GOSISDBHSA-N 2 1 330.476 1.651 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000883893818 597933741 /nfs/dbraw/zinc/93/37/41/597933741.db2.gz RULSAWMKTFYKMF-GOSISDBHSA-N 2 1 330.476 1.651 20 0 EDADMP C[NH+]1CCC(C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)CC1 ZINC000882329036 597935865 /nfs/dbraw/zinc/93/58/65/597935865.db2.gz ZODNLMWXFQGUOH-UHFFFAOYSA-N 2 1 325.497 1.678 20 0 EDADMP CC1([NH+]2CCC2)CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000882508338 597981566 /nfs/dbraw/zinc/98/15/66/597981566.db2.gz AUVWNJSRXKCBGM-UHFFFAOYSA-N 2 1 325.416 1.968 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000880614408 597982010 /nfs/dbraw/zinc/98/20/10/597982010.db2.gz VPBBEBGGMITBEX-IRXDYDNUSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000880614408 597982011 /nfs/dbraw/zinc/98/20/11/597982011.db2.gz VPBBEBGGMITBEX-IRXDYDNUSA-N 2 1 339.524 1.968 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884188239 598019548 /nfs/dbraw/zinc/01/95/48/598019548.db2.gz CCWXIMBPYLUONP-OAHLLOKOSA-N 2 1 331.464 1.095 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884192657 598021755 /nfs/dbraw/zinc/02/17/55/598021755.db2.gz KVTYSQROLQLAIB-MFKMUULPSA-N 2 1 326.238 1.517 20 0 EDADMP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884198588 598025170 /nfs/dbraw/zinc/02/51/70/598025170.db2.gz AQAUMPOYTOUWMG-OLZOCXBDSA-N 2 1 326.238 1.659 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884198588 598025173 /nfs/dbraw/zinc/02/51/73/598025173.db2.gz AQAUMPOYTOUWMG-OLZOCXBDSA-N 2 1 326.238 1.659 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884221381 598033483 /nfs/dbraw/zinc/03/34/83/598033483.db2.gz QNBXVTXKDHDXLK-QGZVFWFLSA-N 2 1 345.491 1.486 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000884312396 598062989 /nfs/dbraw/zinc/06/29/89/598062989.db2.gz DJEVRGLLMIHOSZ-IYBDPMFKSA-N 2 1 349.475 1.466 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000884312396 598062993 /nfs/dbraw/zinc/06/29/93/598062993.db2.gz DJEVRGLLMIHOSZ-IYBDPMFKSA-N 2 1 349.475 1.466 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000884327737 598069029 /nfs/dbraw/zinc/06/90/29/598069029.db2.gz AWXFNZPWVLVIQF-WMZOPIPTSA-N 2 1 331.460 1.841 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1cscn1 ZINC000939815666 699974706 /nfs/dbraw/zinc/97/47/06/699974706.db2.gz KLYNDRAUQHHTHM-ZBFHGGJFSA-N 2 1 336.505 1.956 20 0 EDADMP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC000992739017 695261183 /nfs/dbraw/zinc/26/11/83/695261183.db2.gz JDRYBAPAYLUKLG-FVQBIDKESA-N 2 1 334.464 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@@H]2C1 ZINC000992917137 695452775 /nfs/dbraw/zinc/45/27/75/695452775.db2.gz KQZYBADMINNBEX-USXIJHARSA-N 2 1 343.431 1.596 20 0 EDADMP C[C@H]1[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@H+]1CC1CCC1 ZINC000993362314 696009461 /nfs/dbraw/zinc/00/94/61/696009461.db2.gz HLGBZVLTJVXKNK-DOTOQJQBSA-N 2 1 347.507 1.828 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CCc2ccns2)[C@@H]1C ZINC000993622969 696288039 /nfs/dbraw/zinc/28/80/39/696288039.db2.gz PRHPMRXBBAQOAH-ZBFHGGJFSA-N 2 1 347.488 1.860 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CCc2ccns2)[C@@H]1C ZINC000993622969 696288042 /nfs/dbraw/zinc/28/80/42/696288042.db2.gz PRHPMRXBBAQOAH-ZBFHGGJFSA-N 2 1 347.488 1.860 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCN(Cc2ccnn2C)[C@@H]1C ZINC000993626557 696290125 /nfs/dbraw/zinc/29/01/25/696290125.db2.gz VMGOUXVFITVKOB-ZBFHGGJFSA-N 2 1 330.436 1.094 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993737041 696340160 /nfs/dbraw/zinc/34/01/60/696340160.db2.gz BGAIMKONGRRJLC-YJBOKZPZSA-N 2 1 347.507 1.539 20 0 EDADMP C[C@H]1[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@H+]1CCn1cccn1 ZINC000993803216 696379285 /nfs/dbraw/zinc/37/92/85/696379285.db2.gz HRRIMOROQYPMDN-DLBZAZTESA-N 2 1 347.507 1.584 20 0 EDADMP C[C@H]1[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCC[NH+]1CCn1cccn1 ZINC000993803216 696379287 /nfs/dbraw/zinc/37/92/87/696379287.db2.gz HRRIMOROQYPMDN-DLBZAZTESA-N 2 1 347.507 1.584 20 0 EDADMP C[C@H]1[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCC[NH+]1CCn1cccn1 ZINC000993803216 696379288 /nfs/dbraw/zinc/37/92/88/696379288.db2.gz HRRIMOROQYPMDN-DLBZAZTESA-N 2 1 347.507 1.584 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994250731 696643696 /nfs/dbraw/zinc/64/36/96/696643696.db2.gz IXBAYBSIAZSLTR-WMLDXEAASA-N 2 1 346.475 1.856 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994250731 696643697 /nfs/dbraw/zinc/64/36/97/696643697.db2.gz IXBAYBSIAZSLTR-WMLDXEAASA-N 2 1 346.475 1.856 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000940008361 700109929 /nfs/dbraw/zinc/10/99/29/700109929.db2.gz KMNMYVAYDANFKF-CQSZACIVSA-N 2 1 347.463 1.512 20 0 EDADMP COc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nn1 ZINC000940008425 700110312 /nfs/dbraw/zinc/11/03/12/700110312.db2.gz MUYKOJYTGJJCNI-OAHLLOKOSA-N 2 1 347.463 1.050 20 0 EDADMP C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000916874165 696803864 /nfs/dbraw/zinc/80/38/64/696803864.db2.gz QYNQDYUCLDSIFH-CABCVRRESA-N 2 1 326.510 1.207 20 0 EDADMP C[C@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CCC[N@H+]1CCCO ZINC000994493477 696933745 /nfs/dbraw/zinc/93/37/45/696933745.db2.gz DGLXBBJBWXTVQR-YJBOKZPZSA-N 2 1 333.476 1.713 20 0 EDADMP Cc1ncsc1CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)[C@H]1C ZINC000994504083 696941757 /nfs/dbraw/zinc/94/17/57/696941757.db2.gz GLNDPQIPPFYEKH-HUUCEWRRSA-N 2 1 347.488 1.860 20 0 EDADMP Cc1nn(C)cc1CN1CCC[C@@H](NC(=O)Cn2ccnc2)[C@H]1C ZINC000994513075 696958340 /nfs/dbraw/zinc/95/83/40/696958340.db2.gz YWLMXRPLLOHPDT-GDBMZVCRSA-N 2 1 330.436 1.094 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000925435402 696970308 /nfs/dbraw/zinc/97/03/08/696970308.db2.gz QEOJIYHDACYHTN-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000925435402 696970309 /nfs/dbraw/zinc/97/03/09/696970309.db2.gz QEOJIYHDACYHTN-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000925435402 696970313 /nfs/dbraw/zinc/97/03/13/696970313.db2.gz QEOJIYHDACYHTN-QZTJIDSGSA-N 2 1 330.476 1.649 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOC2CCCCCC2)C1 ZINC001031584320 697279599 /nfs/dbraw/zinc/27/95/99/697279599.db2.gz BQSYEKHILUJEKX-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cccc(CCC[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC001031594745 697294379 /nfs/dbraw/zinc/29/43/79/697294379.db2.gz KHLXOLOUSNKMQD-LJQANCHMSA-N 2 1 345.487 1.306 20 0 EDADMP Cc1cccc(CCC[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001031594745 697294381 /nfs/dbraw/zinc/29/43/81/697294381.db2.gz KHLXOLOUSNKMQD-LJQANCHMSA-N 2 1 345.487 1.306 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001031666874 697452093 /nfs/dbraw/zinc/45/20/93/697452093.db2.gz SUKHQJHFCUXBMC-QZTJIDSGSA-N 2 1 337.508 1.866 20 0 EDADMP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031668593 697461225 /nfs/dbraw/zinc/46/12/25/697461225.db2.gz KOTXOVHMAFMCHZ-DLBZAZTESA-N 2 1 335.492 1.478 20 0 EDADMP O=C(NCC1C[NH+](CCC(F)(F)F)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031669040 697464282 /nfs/dbraw/zinc/46/42/82/697464282.db2.gz WLKHHKZHERWQEN-KGLIPLIRSA-N 2 1 333.398 1.861 20 0 EDADMP O=C(NCC1C[NH+](CCC(F)(F)F)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031669040 697464283 /nfs/dbraw/zinc/46/42/83/697464283.db2.gz WLKHHKZHERWQEN-KGLIPLIRSA-N 2 1 333.398 1.861 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031674512 697483241 /nfs/dbraw/zinc/48/32/41/697483241.db2.gz KVHHBPOFCPAZCX-KRWDZBQOSA-N 2 1 346.475 1.435 20 0 EDADMP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccccc1 ZINC001031681878 697506072 /nfs/dbraw/zinc/50/60/72/697506072.db2.gz NLCRUHCAPAFYNW-LZQZEXGQSA-N 2 1 345.487 1.762 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3ccnc(OC)c3)C2)CC[N@H+]1C ZINC001031684695 697512117 /nfs/dbraw/zinc/51/21/17/697512117.db2.gz ZBVQHQGHXXZEAK-DLBZAZTESA-N 2 1 346.475 1.369 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ccnc(OC)c3)C2)CC[N@@H+]1C ZINC001031684695 697512119 /nfs/dbraw/zinc/51/21/19/697512119.db2.gz ZBVQHQGHXXZEAK-DLBZAZTESA-N 2 1 346.475 1.369 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ccnc(OC)c3)C2)CC[N@H+]1C ZINC001031684695 697512121 /nfs/dbraw/zinc/51/21/21/697512121.db2.gz ZBVQHQGHXXZEAK-DLBZAZTESA-N 2 1 346.475 1.369 20 0 EDADMP O=C(NCC1C[NH+](CCC2=CCCCC2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688490 697519781 /nfs/dbraw/zinc/51/97/81/697519781.db2.gz GJASBWPXGOWDOM-OALUTQOASA-N 2 1 347.503 1.788 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000921331137 697558295 /nfs/dbraw/zinc/55/82/95/697558295.db2.gz XIZBNDXJCZLRGY-UAGQMJEPSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1nc(CN(C)C)cs1 ZINC000921434951 697611004 /nfs/dbraw/zinc/61/10/04/697611004.db2.gz RNCIQICONSTIKP-SMDDNHRTSA-N 2 1 337.493 1.487 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2nc(C)oc2C)C1 ZINC000995034480 700164499 /nfs/dbraw/zinc/16/44/99/700164499.db2.gz FHAOFNQWANWKOR-CVEARBPZSA-N 2 1 345.447 1.871 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](C/C=C\Cl)C2)cn1 ZINC001015828135 697687008 /nfs/dbraw/zinc/68/70/08/697687008.db2.gz XHFHZYRSXKBLHZ-MFBWXBCUSA-N 2 1 325.844 1.001 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](C/C=C\Cl)C2)cn1 ZINC001015828135 697687011 /nfs/dbraw/zinc/68/70/11/697687011.db2.gz XHFHZYRSXKBLHZ-MFBWXBCUSA-N 2 1 325.844 1.001 20 0 EDADMP CC[C@H](F)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727481 697956063 /nfs/dbraw/zinc/95/60/63/697956063.db2.gz IERLGJTUQUBJIJ-RDJZCZTQSA-N 2 1 341.471 1.426 20 0 EDADMP CC[C@H](F)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727481 697956066 /nfs/dbraw/zinc/95/60/66/697956066.db2.gz IERLGJTUQUBJIJ-RDJZCZTQSA-N 2 1 341.471 1.426 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001032094790 698601895 /nfs/dbraw/zinc/60/18/95/698601895.db2.gz OICBGEUTEWWKSZ-UHFFFAOYSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000995040997 700248674 /nfs/dbraw/zinc/24/86/74/700248674.db2.gz XSMITWZAOWLNBV-WBVHZDCISA-N 2 1 342.447 1.365 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCN(C2C[NH+](CC3CC(C)C3)C2)CC1 ZINC000941489610 701556823 /nfs/dbraw/zinc/55/68/23/701556823.db2.gz KCFYTRNPUJODPC-UHFFFAOYSA-N 2 1 345.491 1.066 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000939136686 699223015 /nfs/dbraw/zinc/22/30/15/699223015.db2.gz BOXMZCVYWSCPTI-CVEARBPZSA-N 2 1 333.480 1.052 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000939136687 699223206 /nfs/dbraw/zinc/22/32/06/699223206.db2.gz BOXMZCVYWSCPTI-HOTGVXAUSA-N 2 1 333.480 1.052 20 0 EDADMP C=CCCCN(C)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000183339118 701587692 /nfs/dbraw/zinc/58/76/92/701587692.db2.gz VZJBRJDKHAKSFY-HDICACEKSA-N 2 1 341.455 1.959 20 0 EDADMP C=CCCC[N@@H+](C)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000183339118 701587693 /nfs/dbraw/zinc/58/76/93/701587693.db2.gz VZJBRJDKHAKSFY-HDICACEKSA-N 2 1 341.455 1.959 20 0 EDADMP C=CCCC[N@H+](C)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000183339118 701587694 /nfs/dbraw/zinc/58/76/94/701587694.db2.gz VZJBRJDKHAKSFY-HDICACEKSA-N 2 1 341.455 1.959 20 0 EDADMP C=CCCC[NH+](C)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000183339118 701587695 /nfs/dbraw/zinc/58/76/95/701587695.db2.gz VZJBRJDKHAKSFY-HDICACEKSA-N 2 1 341.455 1.959 20 0 EDADMP C=CCCC[NH+](C)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000183339118 701587696 /nfs/dbraw/zinc/58/76/96/701587696.db2.gz VZJBRJDKHAKSFY-HDICACEKSA-N 2 1 341.455 1.959 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031813242 699490486 /nfs/dbraw/zinc/49/04/86/699490486.db2.gz RFPIEUQZVVEZEV-UHFFFAOYSA-N 2 1 328.460 1.566 20 0 EDADMP CC[C@H]1CC[N@@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000183374366 701601887 /nfs/dbraw/zinc/60/18/87/701601887.db2.gz PGZRRSNKDDDBCN-RYQLBKOJSA-N 2 1 341.455 1.793 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)o1 ZINC000939543610 699684729 /nfs/dbraw/zinc/68/47/29/699684729.db2.gz FGKWCXZFJHTTDV-ZFWWWQNUSA-N 2 1 332.448 1.269 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)oc1C ZINC000939544610 699686053 /nfs/dbraw/zinc/68/60/53/699686053.db2.gz LKBDJGRYBANCGY-SWLSCSKDSA-N 2 1 332.448 1.324 20 0 EDADMP Cc1nccn1CCCC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000069576560 699713455 /nfs/dbraw/zinc/71/34/55/699713455.db2.gz BNSIJQBPKIMNFI-INIZCTEOSA-N 2 1 349.479 1.031 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000069576560 699713460 /nfs/dbraw/zinc/71/34/60/699713460.db2.gz BNSIJQBPKIMNFI-INIZCTEOSA-N 2 1 349.479 1.031 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000939749678 699897093 /nfs/dbraw/zinc/89/70/93/699897093.db2.gz WXIZGWLXEUHSOP-GUYCJALGSA-N 2 1 330.407 1.967 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000939753961 699903811 /nfs/dbraw/zinc/90/38/11/699903811.db2.gz KDFATPOXGHNQSF-VXGBXAGGSA-N 2 1 342.896 1.829 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000939811487 699959537 /nfs/dbraw/zinc/95/95/37/699959537.db2.gz TYBZTDBNUGNUIN-WMLDXEAASA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000939811496 699959598 /nfs/dbraw/zinc/95/95/98/699959598.db2.gz TYTMSCUDZSPPIJ-XJKSGUPXSA-N 2 1 335.452 1.191 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cn(C)nn2)CC1 ZINC000940142253 700269726 /nfs/dbraw/zinc/26/97/26/700269726.db2.gz MKJUSJWGOIEORK-INIZCTEOSA-N 2 1 348.495 1.160 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)nn1C ZINC000940329144 700508011 /nfs/dbraw/zinc/50/80/11/700508011.db2.gz QAWKAXQVNWTTLZ-PBHICJAKSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000940329253 700508646 /nfs/dbraw/zinc/50/86/46/700508646.db2.gz SQXQEMIPQAZDOO-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000940329881 700509657 /nfs/dbraw/zinc/50/96/57/700509657.db2.gz ZEFUMMKYZOGIBG-HNNXBMFYSA-N 2 1 345.491 1.740 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]Cc3cnsn3)CC2)C1 ZINC000940426128 700619628 /nfs/dbraw/zinc/61/96/28/700619628.db2.gz GNUBSHHEYPLRPF-CYBMUJFWSA-N 2 1 337.493 1.351 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]Cc3cnsn3)CC2)C1 ZINC000940426128 700619629 /nfs/dbraw/zinc/61/96/29/700619629.db2.gz GNUBSHHEYPLRPF-CYBMUJFWSA-N 2 1 337.493 1.351 20 0 EDADMP COc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000940457542 700661138 /nfs/dbraw/zinc/66/11/38/700661138.db2.gz JZBCJUYBXOWUKV-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]C[C@H]2CCCCO2)CC1 ZINC000940461677 700664910 /nfs/dbraw/zinc/66/49/10/700664910.db2.gz HORJOONVSJRSRT-MRXNPFEDSA-N 2 1 334.464 1.731 20 0 EDADMP CCc1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995169822 701667315 /nfs/dbraw/zinc/66/73/15/701667315.db2.gz UTLVLISBSLDIAV-UONOGXRCSA-N 2 1 347.463 1.102 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)on1 ZINC000940621245 700782618 /nfs/dbraw/zinc/78/26/18/700782618.db2.gz QAZCGSADOMWJBE-HOTGVXAUSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)on1 ZINC000940621245 700782619 /nfs/dbraw/zinc/78/26/19/700782619.db2.gz QAZCGSADOMWJBE-HOTGVXAUSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)on1 ZINC000940621245 700782620 /nfs/dbraw/zinc/78/26/20/700782620.db2.gz QAZCGSADOMWJBE-HOTGVXAUSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940626127 700788316 /nfs/dbraw/zinc/78/83/16/700788316.db2.gz ZNSJDRSEFIUHFE-DLBZAZTESA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940626127 700788318 /nfs/dbraw/zinc/78/83/18/700788318.db2.gz ZNSJDRSEFIUHFE-DLBZAZTESA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940626127 700788320 /nfs/dbraw/zinc/78/83/20/700788320.db2.gz ZNSJDRSEFIUHFE-DLBZAZTESA-N 2 1 345.491 1.596 20 0 EDADMP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000940893678 700968607 /nfs/dbraw/zinc/96/86/07/700968607.db2.gz SSPRNXCJFBURPC-KRWDZBQOSA-N 2 1 348.491 1.361 20 0 EDADMP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000940893678 700968608 /nfs/dbraw/zinc/96/86/08/700968608.db2.gz SSPRNXCJFBURPC-KRWDZBQOSA-N 2 1 348.491 1.361 20 0 EDADMP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000940896840 700973336 /nfs/dbraw/zinc/97/33/36/700973336.db2.gz ZJYPMGAJHQJENO-INIZCTEOSA-N 2 1 330.432 1.547 20 0 EDADMP CC1(C)C[N@@H+](CCF)CC[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000940901327 700976316 /nfs/dbraw/zinc/97/63/16/700976316.db2.gz MEQTWVXNYICYHO-NWPKHEMWSA-N 2 1 339.455 1.036 20 0 EDADMP CC1(C)C[NH+](CCF)CC[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000940901327 700976318 /nfs/dbraw/zinc/97/63/18/700976318.db2.gz MEQTWVXNYICYHO-NWPKHEMWSA-N 2 1 339.455 1.036 20 0 EDADMP CC1(C)C[NH+](CCF)CC[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000940901327 700976320 /nfs/dbraw/zinc/97/63/20/700976320.db2.gz MEQTWVXNYICYHO-NWPKHEMWSA-N 2 1 339.455 1.036 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](CC[C@H]3CCOC3)C2)C1 ZINC001031918817 701037397 /nfs/dbraw/zinc/03/73/97/701037397.db2.gz IAYHDXWXNKYIPE-WMZOPIPTSA-N 2 1 337.508 1.583 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)O)CC1(C)C ZINC000941067697 701115591 /nfs/dbraw/zinc/11/55/91/701115591.db2.gz FTMQBFRXXBYUTK-LSDHHAIUSA-N 2 1 336.480 1.604 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C[C@H](C)O)CC1(C)C ZINC000941067697 701115594 /nfs/dbraw/zinc/11/55/94/701115594.db2.gz FTMQBFRXXBYUTK-LSDHHAIUSA-N 2 1 336.480 1.604 20 0 EDADMP CCn1cc(CC[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC001031925804 701126739 /nfs/dbraw/zinc/12/67/39/701126739.db2.gz OHWIJBGOKLQXRK-YJBOKZPZSA-N 2 1 347.507 1.224 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCCc3ccccc3)C2)C1 ZINC001032197357 701691859 /nfs/dbraw/zinc/69/18/59/701691859.db2.gz JINLIBMUQVCGIK-IBGZPJMESA-N 2 1 345.487 1.388 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCCc3ccccc3)C2)C1 ZINC001032197357 701691862 /nfs/dbraw/zinc/69/18/62/701691862.db2.gz JINLIBMUQVCGIK-IBGZPJMESA-N 2 1 345.487 1.388 20 0 EDADMP Cc1noc(CCC[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n1 ZINC001031925451 701144360 /nfs/dbraw/zinc/14/43/60/701144360.db2.gz JCDYUCVQMXXACN-BBRMVZONSA-N 2 1 349.479 1.089 20 0 EDADMP Cc1cc(CNC[C@H]2CC[C@@H](NC(=O)Cc3cncn3C)C2)no1 ZINC000995171423 701695541 /nfs/dbraw/zinc/69/55/41/701695541.db2.gz VYGNJBQYRAQFMM-UONOGXRCSA-N 2 1 331.420 1.334 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1C[NH+](C[C@H]3CCCOC3)C1)CC2 ZINC001031931750 701371540 /nfs/dbraw/zinc/37/15/40/701371540.db2.gz NHOUQLWMUPTAPG-WBVHZDCISA-N 2 1 346.475 1.229 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941168530 701379423 /nfs/dbraw/zinc/37/94/23/701379423.db2.gz FGHISYAKOGJTAJ-INIZCTEOSA-N 2 1 334.464 1.360 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941168530 701379424 /nfs/dbraw/zinc/37/94/24/701379424.db2.gz FGHISYAKOGJTAJ-INIZCTEOSA-N 2 1 334.464 1.360 20 0 EDADMP Cn1cc(CC[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941217424 701403855 /nfs/dbraw/zinc/40/38/55/701403855.db2.gz OPJLTVCIVQCXHL-IRXDYDNUSA-N 2 1 347.507 1.131 20 0 EDADMP Cn1cc(CC[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)cn1 ZINC000941217424 701403856 /nfs/dbraw/zinc/40/38/56/701403856.db2.gz OPJLTVCIVQCXHL-IRXDYDNUSA-N 2 1 347.507 1.131 20 0 EDADMP Cn1cc(CC[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)cn1 ZINC000941217424 701403857 /nfs/dbraw/zinc/40/38/57/701403857.db2.gz OPJLTVCIVQCXHL-IRXDYDNUSA-N 2 1 347.507 1.131 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941218197 701408960 /nfs/dbraw/zinc/40/89/60/701408960.db2.gz WZAPCQWKUQEYGP-JKSUJKDBSA-N 2 1 333.480 1.089 20 0 EDADMP Cn1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)cn1 ZINC000941218197 701408961 /nfs/dbraw/zinc/40/89/61/701408961.db2.gz WZAPCQWKUQEYGP-JKSUJKDBSA-N 2 1 333.480 1.089 20 0 EDADMP Cn1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)cn1 ZINC000941218197 701408962 /nfs/dbraw/zinc/40/89/62/701408962.db2.gz WZAPCQWKUQEYGP-JKSUJKDBSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218430 701409259 /nfs/dbraw/zinc/40/92/59/701409259.db2.gz XOCROUXHOXAVCU-WBVHZDCISA-N 2 1 347.507 1.397 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941218430 701409261 /nfs/dbraw/zinc/40/92/61/701409261.db2.gz XOCROUXHOXAVCU-WBVHZDCISA-N 2 1 347.507 1.397 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218430 701409263 /nfs/dbraw/zinc/40/92/63/701409263.db2.gz XOCROUXHOXAVCU-WBVHZDCISA-N 2 1 347.507 1.397 20 0 EDADMP Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218744 701409493 /nfs/dbraw/zinc/40/94/93/701409493.db2.gz YVRKFOJRZVGVNZ-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP Cn1nccc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941218744 701409494 /nfs/dbraw/zinc/40/94/94/701409494.db2.gz YVRKFOJRZVGVNZ-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP Cn1nccc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218744 701409495 /nfs/dbraw/zinc/40/94/95/701409495.db2.gz YVRKFOJRZVGVNZ-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)oc1C ZINC000999171602 706601999 /nfs/dbraw/zinc/60/19/99/706601999.db2.gz XEGWVKNIICOMGG-IRXDYDNUSA-N 2 1 346.475 1.714 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cscn3)C[C@H]2CC1 ZINC000946518553 706604450 /nfs/dbraw/zinc/60/44/50/706604450.db2.gz WSHQSOOEKPSQDC-HLLBOEOZSA-N 2 1 348.516 1.908 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cscn3)C[C@H]2CC1 ZINC000946518553 706604451 /nfs/dbraw/zinc/60/44/51/706604451.db2.gz WSHQSOOEKPSQDC-HLLBOEOZSA-N 2 1 348.516 1.908 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cscn3)C[C@H]2CC1 ZINC000946518553 706604453 /nfs/dbraw/zinc/60/44/53/706604453.db2.gz WSHQSOOEKPSQDC-HLLBOEOZSA-N 2 1 348.516 1.908 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941443202 701535032 /nfs/dbraw/zinc/53/50/32/701535032.db2.gz LIZIAWCNFOIDAJ-QGZVFWFLSA-N 2 1 334.508 1.099 20 0 EDADMP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941437253 701540416 /nfs/dbraw/zinc/54/04/16/701540416.db2.gz XOOKFIJKMHIQAO-QGZVFWFLSA-N 2 1 345.491 1.245 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC3CCCCCC3)C2)C1 ZINC001032201377 701838141 /nfs/dbraw/zinc/83/81/41/701838141.db2.gz AMIWYXFNEKNARU-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC3CCCCCC3)C2)C1 ZINC001032201377 701838149 /nfs/dbraw/zinc/83/81/49/701838149.db2.gz AMIWYXFNEKNARU-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sn1 ZINC000999188591 706630017 /nfs/dbraw/zinc/63/00/17/706630017.db2.gz BSMBMSHOMYSBRK-IJEWVQPXSA-N 2 1 336.505 1.872 20 0 EDADMP CCn1cc(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000999188904 706630529 /nfs/dbraw/zinc/63/05/29/706630529.db2.gz FMIJBDCAWBYXDO-KBAYOESNSA-N 2 1 347.507 1.366 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)CC[N@H+]1C ZINC000995830064 702104563 /nfs/dbraw/zinc/10/45/63/702104563.db2.gz FEGHAOMGSINLRM-DJIMGWMZSA-N 2 1 347.507 1.129 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3cnns3)C(C)(C)C2)CC[N@H+]1C ZINC000995832842 702108667 /nfs/dbraw/zinc/10/86/67/702108667.db2.gz PIKHQBCLKGURGO-BNOWGMLFSA-N 2 1 337.493 1.205 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995917506 702236092 /nfs/dbraw/zinc/23/60/92/702236092.db2.gz VNFDHHZSJLNWSK-SJORKVTESA-N 2 1 347.507 1.584 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000995981913 702341459 /nfs/dbraw/zinc/34/14/59/702341459.db2.gz OEUPLJXHNMKMOT-LSDHHAIUSA-N 2 1 336.505 1.954 20 0 EDADMP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]Cc1cnon1 ZINC000995992994 702370252 /nfs/dbraw/zinc/37/02/52/702370252.db2.gz AAIIYIXIDUIDJK-CQSZACIVSA-N 2 1 333.436 1.025 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)co1 ZINC000944171183 702415708 /nfs/dbraw/zinc/41/57/08/702415708.db2.gz XIWDQCCZMRUPMS-XJKSGUPXSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)co1 ZINC000944171183 702415713 /nfs/dbraw/zinc/41/57/13/702415713.db2.gz XIWDQCCZMRUPMS-XJKSGUPXSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1 ZINC000996046014 702440542 /nfs/dbraw/zinc/44/05/42/702440542.db2.gz YMBVSNAKSUZXSA-JKSUJKDBSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1conc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000995209604 702675727 /nfs/dbraw/zinc/67/57/27/702675727.db2.gz KOFUNRDDVSMNLK-CABCVRRESA-N 2 1 331.420 1.563 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996300652 702692346 /nfs/dbraw/zinc/69/23/46/702692346.db2.gz NYSBMIFPPZNSJR-ZBFHGGJFSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996302639 702694795 /nfs/dbraw/zinc/69/47/95/702694795.db2.gz YFSDCKCDFGKCFX-IUODEOHRSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996302639 702694798 /nfs/dbraw/zinc/69/47/98/702694798.db2.gz YFSDCKCDFGKCFX-IUODEOHRSA-N 2 1 335.452 1.046 20 0 EDADMP Cc1conc1C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942258534 702768188 /nfs/dbraw/zinc/76/81/88/702768188.db2.gz PICYDBAHKRVEJD-GOEBONIOSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1conc1C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942258534 702768191 /nfs/dbraw/zinc/76/81/91/702768191.db2.gz PICYDBAHKRVEJD-GOEBONIOSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)no1 ZINC000996518389 702854084 /nfs/dbraw/zinc/85/40/84/702854084.db2.gz DXCNDHSEHWICEE-OAHLLOKOSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996616438 702923293 /nfs/dbraw/zinc/92/32/93/702923293.db2.gz SBGGSBRPVIJGNN-DOTOQJQBSA-N 2 1 330.476 1.668 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(CC)o2)CC1 ZINC000996651645 702941153 /nfs/dbraw/zinc/94/11/53/702941153.db2.gz BPULMGXIWVNABD-HNNXBMFYSA-N 2 1 349.479 1.587 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(CC)o2)CC1 ZINC000996651645 702941156 /nfs/dbraw/zinc/94/11/56/702941156.db2.gz BPULMGXIWVNABD-HNNXBMFYSA-N 2 1 349.479 1.587 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996651801 702941711 /nfs/dbraw/zinc/94/17/11/702941711.db2.gz CVNNBDXXCWKYAK-QGZVFWFLSA-N 2 1 333.480 1.375 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ncccn3)CC2)C1 ZINC000996666003 702968481 /nfs/dbraw/zinc/96/84/81/702968481.db2.gz OJKBEFYZROWYJK-INIZCTEOSA-N 2 1 345.491 1.535 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000996689233 702986557 /nfs/dbraw/zinc/98/65/57/702986557.db2.gz KJCOXFOASRSAHK-INIZCTEOSA-N 2 1 334.464 1.938 20 0 EDADMP CCc1nc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC000996690143 702987305 /nfs/dbraw/zinc/98/73/05/702987305.db2.gz PHXADQJPWBBGJI-HNNXBMFYSA-N 2 1 349.479 1.587 20 0 EDADMP CCc1nc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC000996690143 702987306 /nfs/dbraw/zinc/98/73/06/702987306.db2.gz PHXADQJPWBBGJI-HNNXBMFYSA-N 2 1 349.479 1.587 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC3=CCCCC3)CC2)O1 ZINC000996711849 703006427 /nfs/dbraw/zinc/00/64/27/703006427.db2.gz LRIPERIXQALNMC-CRAIPNDOSA-N 2 1 335.492 1.787 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC3=CCCCC3)CC2)O1 ZINC000996711849 703006430 /nfs/dbraw/zinc/00/64/30/703006430.db2.gz LRIPERIXQALNMC-CRAIPNDOSA-N 2 1 335.492 1.787 20 0 EDADMP CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000995256987 703007399 /nfs/dbraw/zinc/00/73/99/703007399.db2.gz HGLHDSJESXLFTR-ROUUACIJSA-N 2 1 346.475 1.083 20 0 EDADMP CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000995256987 703007402 /nfs/dbraw/zinc/00/74/02/703007402.db2.gz HGLHDSJESXLFTR-ROUUACIJSA-N 2 1 346.475 1.083 20 0 EDADMP CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000995256987 703007405 /nfs/dbraw/zinc/00/74/05/703007405.db2.gz HGLHDSJESXLFTR-ROUUACIJSA-N 2 1 346.475 1.083 20 0 EDADMP CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000995256987 703007407 /nfs/dbraw/zinc/00/74/07/703007407.db2.gz HGLHDSJESXLFTR-ROUUACIJSA-N 2 1 346.475 1.083 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)ncn1 ZINC000942596419 703110794 /nfs/dbraw/zinc/11/07/94/703110794.db2.gz ABVCSHZWKRVQMB-KDOFPFPSSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)oc1C ZINC000942598127 703113148 /nfs/dbraw/zinc/11/31/48/703113148.db2.gz RSQKYNUPLKWTAH-GUYCJALGSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)oc1C ZINC000942598127 703113149 /nfs/dbraw/zinc/11/31/49/703113149.db2.gz RSQKYNUPLKWTAH-GUYCJALGSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000997000640 703257529 /nfs/dbraw/zinc/25/75/29/703257529.db2.gz RVOCLVKNDVTOME-MRXNPFEDSA-N 2 1 347.507 1.565 20 0 EDADMP Cc1ccncc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000997004799 703261930 /nfs/dbraw/zinc/26/19/30/703261930.db2.gz GTQBHAHMVHXRCY-HNNXBMFYSA-N 2 1 330.476 1.812 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC000997010589 703270987 /nfs/dbraw/zinc/27/09/87/703270987.db2.gz SOWOTAHXMSKKSU-SUMWQHHRSA-N 2 1 346.475 1.830 20 0 EDADMP CC(C)c1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)no1 ZINC000997012611 703272155 /nfs/dbraw/zinc/27/21/55/703272155.db2.gz YAYLLYCKTBHASL-HIFRSBDPSA-N 2 1 349.479 1.471 20 0 EDADMP CC(C)c1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)no1 ZINC000997012611 703272158 /nfs/dbraw/zinc/27/21/58/703272158.db2.gz YAYLLYCKTBHASL-HIFRSBDPSA-N 2 1 349.479 1.471 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997061890 703312836 /nfs/dbraw/zinc/31/28/36/703312836.db2.gz KINUMQHCSBHTFN-QGZVFWFLSA-N 2 1 349.479 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cncn2C)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821159 703329373 /nfs/dbraw/zinc/32/93/73/703329373.db2.gz CKOXBUMJEKEUSS-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1C[NH+](Cc2cncn2C)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821159 703329376 /nfs/dbraw/zinc/32/93/76/703329376.db2.gz CKOXBUMJEKEUSS-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1C[NH+](Cc2cncn2C)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821159 703329378 /nfs/dbraw/zinc/32/93/78/703329378.db2.gz CKOXBUMJEKEUSS-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000997086654 703332119 /nfs/dbraw/zinc/33/21/19/703332119.db2.gz AIERIFZGDVXOKG-HOTGVXAUSA-N 2 1 333.436 1.167 20 0 EDADMP CC(C)c1[nH+]ccn1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000921527338 703386259 /nfs/dbraw/zinc/38/62/59/703386259.db2.gz LLVOJICYZBKUTQ-UHFFFAOYSA-N 2 1 328.482 1.412 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCOCC1 ZINC001032399696 703413033 /nfs/dbraw/zinc/41/30/33/703413033.db2.gz CYDINHVBWFUABZ-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032399696 703413034 /nfs/dbraw/zinc/41/30/34/703413034.db2.gz CYDINHVBWFUABZ-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032399696 703413035 /nfs/dbraw/zinc/41/30/35/703413035.db2.gz CYDINHVBWFUABZ-FHWLQOOXSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)c1nc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000997181989 703467043 /nfs/dbraw/zinc/46/70/43/703467043.db2.gz FKSLMSXEXHXQBX-AWEZNQCLSA-N 2 1 349.479 1.615 20 0 EDADMP CC(C)c1nc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000997181989 703467046 /nfs/dbraw/zinc/46/70/46/703467046.db2.gz FKSLMSXEXHXQBX-AWEZNQCLSA-N 2 1 349.479 1.615 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)c1ncccn1 ZINC000997182835 703467984 /nfs/dbraw/zinc/46/79/84/703467984.db2.gz IGDMYKZHMQHYLH-LSDHHAIUSA-N 2 1 331.464 1.460 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997180377 703470538 /nfs/dbraw/zinc/47/05/38/703470538.db2.gz QGPQNTOOUKAHFG-KBPBESRZSA-N 2 1 349.479 1.615 20 0 EDADMP CCn1cc(CC[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997185054 703473914 /nfs/dbraw/zinc/47/39/14/703473914.db2.gz OZWNZXHBLBTGSO-INIZCTEOSA-N 2 1 347.507 1.368 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000997186903 703475747 /nfs/dbraw/zinc/47/57/47/703475747.db2.gz LDXAPABPYLSQBD-CYBMUJFWSA-N 2 1 347.463 1.369 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)C1 ZINC000997300489 703544277 /nfs/dbraw/zinc/54/42/77/703544277.db2.gz WDOFSDVNICLRIS-KRWDZBQOSA-N 2 1 331.460 1.211 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997296768 703555462 /nfs/dbraw/zinc/55/54/62/703555462.db2.gz BTIDJARAJPAXLQ-CYBMUJFWSA-N 2 1 335.452 1.054 20 0 EDADMP CCCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997296768 703555463 /nfs/dbraw/zinc/55/54/63/703555463.db2.gz BTIDJARAJPAXLQ-CYBMUJFWSA-N 2 1 335.452 1.054 20 0 EDADMP CCCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997296797 703555479 /nfs/dbraw/zinc/55/54/79/703555479.db2.gz BZAIFYDFAUDZFT-HNNXBMFYSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997299106 703556536 /nfs/dbraw/zinc/55/65/36/703556536.db2.gz NNARBUATGVJBID-CQSZACIVSA-N 2 1 334.464 1.578 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3nc(CC4CC4)no3)CC2)C1 ZINC000997299930 703557150 /nfs/dbraw/zinc/55/71/50/703557150.db2.gz RTDLCUOXYZHTLP-AWEZNQCLSA-N 2 1 347.463 1.054 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3nc(CC4CC4)no3)CC2)C1 ZINC000997299930 703557152 /nfs/dbraw/zinc/55/71/52/703557152.db2.gz RTDLCUOXYZHTLP-AWEZNQCLSA-N 2 1 347.463 1.054 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]CCn3cc(Cl)cn3)CC2)C1 ZINC000997299985 703557433 /nfs/dbraw/zinc/55/74/33/703557433.db2.gz SSCMIFLRCWPFRZ-ZDUSSCGKSA-N 2 1 339.871 1.069 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC000997308699 703566626 /nfs/dbraw/zinc/56/66/26/703566626.db2.gz HFBVBSKQBWCQEI-YJBOKZPZSA-N 2 1 332.448 1.199 20 0 EDADMP CCn1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)n1 ZINC000997368772 703609004 /nfs/dbraw/zinc/60/90/04/703609004.db2.gz UVJISIZXONQWMC-KRWDZBQOSA-N 2 1 348.495 1.253 20 0 EDADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000921584568 703627607 /nfs/dbraw/zinc/62/76/07/703627607.db2.gz VOXICPBZMFRJHU-WMLDXEAASA-N 2 1 331.464 1.610 20 0 EDADMP CC[C@@H]([NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1)C(N)=O ZINC000997371382 703650430 /nfs/dbraw/zinc/65/04/30/703650430.db2.gz JXHVPFJRNUIFRJ-IAGOWNOFSA-N 2 1 346.475 1.134 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nc1 ZINC000997419552 703670019 /nfs/dbraw/zinc/67/00/19/703670019.db2.gz AQHGMHOGRRVZRU-NVXWUHKLSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nc1 ZINC000997419552 703670020 /nfs/dbraw/zinc/67/00/20/703670020.db2.gz AQHGMHOGRRVZRU-NVXWUHKLSA-N 2 1 345.491 1.453 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1)C12CCC[NH+](CCC1)C2 ZINC001032472530 703686094 /nfs/dbraw/zinc/68/60/94/703686094.db2.gz WYHRKLDFRLUXAW-IRXDYDNUSA-N 2 1 343.475 1.044 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1)C12CCC[NH+](CCC1)C2 ZINC001032472530 703686095 /nfs/dbraw/zinc/68/60/95/703686095.db2.gz WYHRKLDFRLUXAW-IRXDYDNUSA-N 2 1 343.475 1.044 20 0 EDADMP CCc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000997604665 703900061 /nfs/dbraw/zinc/90/00/61/703900061.db2.gz CBEWOHXPUSVZEN-INIZCTEOSA-N 2 1 334.464 1.659 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)sn1 ZINC000995551008 703955383 /nfs/dbraw/zinc/95/53/83/703955383.db2.gz LMKSUOFZQDGOFI-LSDHHAIUSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995552873 703961876 /nfs/dbraw/zinc/96/18/76/703961876.db2.gz RXLUJUMRYSDLII-HOTGVXAUSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995555530 703975379 /nfs/dbraw/zinc/97/53/79/703975379.db2.gz ZUHVHQKMSOMWRJ-JKSUJKDBSA-N 2 1 333.480 1.149 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cnsn3)C2)CC[N@@H+]1C ZINC000999294023 706791316 /nfs/dbraw/zinc/79/13/16/706791316.db2.gz PUBMQAZTIJYSNL-YKQCJFHZSA-N 2 1 337.493 1.347 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cnsn3)C2)CC[N@H+]1C ZINC000999294023 706791319 /nfs/dbraw/zinc/79/13/19/706791319.db2.gz PUBMQAZTIJYSNL-YKQCJFHZSA-N 2 1 337.493 1.347 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082243 704138580 /nfs/dbraw/zinc/13/85/80/704138580.db2.gz PHQLARGRMBUZCA-IRXDYDNUSA-N 2 1 332.448 1.358 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082243 704138583 /nfs/dbraw/zinc/13/85/83/704138583.db2.gz PHQLARGRMBUZCA-IRXDYDNUSA-N 2 1 332.448 1.358 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033082739 704140177 /nfs/dbraw/zinc/14/01/77/704140177.db2.gz PXEPKKFCDXBLLS-IAGOWNOFSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033082739 704140179 /nfs/dbraw/zinc/14/01/79/704140179.db2.gz PXEPKKFCDXBLLS-IAGOWNOFSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033082739 704140182 /nfs/dbraw/zinc/14/01/82/704140182.db2.gz PXEPKKFCDXBLLS-IAGOWNOFSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033082739 704140184 /nfs/dbraw/zinc/14/01/84/704140184.db2.gz PXEPKKFCDXBLLS-IAGOWNOFSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001033092681 704168936 /nfs/dbraw/zinc/16/89/36/704168936.db2.gz UBJOTDVGQUOQBZ-VNQPRFMTSA-N 2 1 334.464 1.664 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001033092681 704168939 /nfs/dbraw/zinc/16/89/39/704168939.db2.gz UBJOTDVGQUOQBZ-VNQPRFMTSA-N 2 1 334.464 1.664 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001033092681 704168943 /nfs/dbraw/zinc/16/89/43/704168943.db2.gz UBJOTDVGQUOQBZ-VNQPRFMTSA-N 2 1 334.464 1.664 20 0 EDADMP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033090122 704172162 /nfs/dbraw/zinc/17/21/62/704172162.db2.gz FUXWDRTYUFHNAJ-OTWHNJEPSA-N 2 1 349.519 1.676 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ocnc3C)C2)CC[N@@H+]1C ZINC001033098272 704214271 /nfs/dbraw/zinc/21/42/71/704214271.db2.gz DBNCYRRRZUPKNV-HRCADAONSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ocnc3C)C2)CC[N@H+]1C ZINC001033098272 704214274 /nfs/dbraw/zinc/21/42/74/704214274.db2.gz DBNCYRRRZUPKNV-HRCADAONSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ocnc3C)C2)CC[NH+]1C ZINC001033098272 704214278 /nfs/dbraw/zinc/21/42/78/704214278.db2.gz DBNCYRRRZUPKNV-HRCADAONSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ocnc3C)C2)CC[NH+]1C ZINC001033098272 704214282 /nfs/dbraw/zinc/21/42/82/704214282.db2.gz DBNCYRRRZUPKNV-HRCADAONSA-N 2 1 334.464 1.746 20 0 EDADMP CC(C)(C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1)[NH+]1CCCCC1 ZINC000946592619 704230489 /nfs/dbraw/zinc/23/04/89/704230489.db2.gz SXTCJQLGDRSYNN-CALCHBBNSA-N 2 1 337.508 1.414 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000999308069 706808747 /nfs/dbraw/zinc/80/87/47/706808747.db2.gz OUHDNVDPAMXYPT-ZWKOTPCHSA-N 2 1 347.507 1.684 20 0 EDADMP O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[C@H]2C[NH+](CC3CC3)C[C@H]2CC1 ZINC000946598084 704311004 /nfs/dbraw/zinc/31/10/04/704311004.db2.gz XOMQZCCGVFSJJC-FCGDIQPGSA-N 2 1 347.503 1.430 20 0 EDADMP O=C([C@H]1C[NH+]2CCC[C@@H]2CO1)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC000946598084 704311007 /nfs/dbraw/zinc/31/10/07/704311007.db2.gz XOMQZCCGVFSJJC-FCGDIQPGSA-N 2 1 347.503 1.430 20 0 EDADMP O=C([C@H]1C[NH+]2CCC[C@@H]2CO1)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC000946598084 704311009 /nfs/dbraw/zinc/31/10/09/704311009.db2.gz XOMQZCCGVFSJJC-FCGDIQPGSA-N 2 1 347.503 1.430 20 0 EDADMP CC(C)=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001004382183 704361180 /nfs/dbraw/zinc/36/11/80/704361180.db2.gz VMEDZYULFZNSJS-OALUTQOASA-N 2 1 349.519 1.986 20 0 EDADMP CC(C)=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001004382183 704361183 /nfs/dbraw/zinc/36/11/83/704361183.db2.gz VMEDZYULFZNSJS-OALUTQOASA-N 2 1 349.519 1.986 20 0 EDADMP CC(C)=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004382183 704361186 /nfs/dbraw/zinc/36/11/86/704361186.db2.gz VMEDZYULFZNSJS-OALUTQOASA-N 2 1 349.519 1.986 20 0 EDADMP CC(C)=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004382183 704361189 /nfs/dbraw/zinc/36/11/89/704361189.db2.gz VMEDZYULFZNSJS-OALUTQOASA-N 2 1 349.519 1.986 20 0 EDADMP O=C(NCc1ccc2c[nH+]cn2c1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000922834305 704399653 /nfs/dbraw/zinc/39/96/53/704399653.db2.gz JWVOUZIDULVHTK-HZPDHXFCSA-N 2 1 345.472 1.713 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC000999308222 706809112 /nfs/dbraw/zinc/80/91/12/706809112.db2.gz RBBRIILSLSNESO-ZWKOTPCHSA-N 2 1 347.507 1.858 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000922851907 704438543 /nfs/dbraw/zinc/43/85/43/704438543.db2.gz CHQGMEYZFNBOHW-PMPSAXMXSA-N 2 1 340.537 1.597 20 0 EDADMP C[NH+]1CCC[C@H](CCNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000922851907 704438544 /nfs/dbraw/zinc/43/85/44/704438544.db2.gz CHQGMEYZFNBOHW-PMPSAXMXSA-N 2 1 340.537 1.597 20 0 EDADMP C[C@H](C(=O)N1CCC([NH2+]C2CCOCC2)CC1)[NH+]1CCSCC1 ZINC000922874580 704443545 /nfs/dbraw/zinc/44/35/45/704443545.db2.gz CAZPVXJVURNSAU-CQSZACIVSA-N 2 1 341.521 1.183 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C)[nH]2)CC1 ZINC000997821694 704741722 /nfs/dbraw/zinc/74/17/22/704741722.db2.gz PIPXQGFVDNOVIF-INIZCTEOSA-N 2 1 348.495 1.316 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997864839 704770068 /nfs/dbraw/zinc/77/00/68/704770068.db2.gz BJFXCFZWJCMBBG-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997864839 704770070 /nfs/dbraw/zinc/77/00/70/704770070.db2.gz BJFXCFZWJCMBBG-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000997864397 704770759 /nfs/dbraw/zinc/77/07/59/704770759.db2.gz GYEROHLXNNDJKO-BBRMVZONSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC000997864397 704770761 /nfs/dbraw/zinc/77/07/61/704770761.db2.gz GYEROHLXNNDJKO-BBRMVZONSA-N 2 1 349.479 1.752 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)o1 ZINC000944921026 704773155 /nfs/dbraw/zinc/77/31/55/704773155.db2.gz XRMNXMMMWNJESP-ZBFHGGJFSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944942709 704795126 /nfs/dbraw/zinc/79/51/26/704795126.db2.gz CJWYPBHSFCFYBV-KBXCAEBGSA-N 2 1 348.491 1.968 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCc2ccns2)C[C@H]1C ZINC000944943369 704795790 /nfs/dbraw/zinc/79/57/90/704795790.db2.gz GYGRMVUJQGCSCF-CJNGLKHVSA-N 2 1 347.488 1.717 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCc2ccns2)C[C@H]1C ZINC000944943369 704795791 /nfs/dbraw/zinc/79/57/91/704795791.db2.gz GYGRMVUJQGCSCF-CJNGLKHVSA-N 2 1 347.488 1.717 20 0 EDADMP CCn1ccc(CN2CC[C@@H](NC(=O)CN3CCCC3)[C@H](C)C2)n1 ZINC000944946672 704799879 /nfs/dbraw/zinc/79/98/79/704799879.db2.gz YDXFTYJVEGWUSC-NVXWUHKLSA-N 2 1 333.480 1.325 20 0 EDADMP C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000945028226 704955107 /nfs/dbraw/zinc/95/51/07/704955107.db2.gz GCGQFMGRXDBTGW-CRAIPNDOSA-N 2 1 333.476 1.571 20 0 EDADMP CCN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000998031287 705215465 /nfs/dbraw/zinc/21/54/65/705215465.db2.gz OBAJLJWKMAUOCX-DLBZAZTESA-N 2 1 348.491 1.846 20 0 EDADMP CCN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000998031287 705215466 /nfs/dbraw/zinc/21/54/66/705215466.db2.gz OBAJLJWKMAUOCX-DLBZAZTESA-N 2 1 348.491 1.846 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000998078244 705299091 /nfs/dbraw/zinc/29/90/91/705299091.db2.gz KHYPLIJKCMHGIA-CZUORRHYSA-N 2 1 336.505 1.669 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)nc1 ZINC000998080851 705300509 /nfs/dbraw/zinc/30/05/09/705300509.db2.gz DXSQMTINTYNCBC-INIZCTEOSA-N 2 1 345.491 1.598 20 0 EDADMP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2nc(C3CC3)no2)CC1)[NH+](C)C ZINC000998086234 705318394 /nfs/dbraw/zinc/31/83/94/705318394.db2.gz ONWPZYSQZKSXDJ-HNNXBMFYSA-N 2 1 349.479 1.615 20 0 EDADMP Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602329 705393383 /nfs/dbraw/zinc/39/33/83/705393383.db2.gz OKPLLXVMOMSALX-ROUUACIJSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602329 705393384 /nfs/dbraw/zinc/39/33/84/705393384.db2.gz OKPLLXVMOMSALX-ROUUACIJSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC000998216790 705539793 /nfs/dbraw/zinc/53/97/93/705539793.db2.gz LCNMRUBLONCXKW-KRWDZBQOSA-N 2 1 345.491 1.455 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)sc1C ZINC000998548377 705984039 /nfs/dbraw/zinc/98/40/39/705984039.db2.gz HEIXDJGOBDIGSL-NRXISQOPSA-N 2 1 336.505 1.933 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2cc(CO)ccc2F)C1 ZINC000998550478 705987098 /nfs/dbraw/zinc/98/70/98/705987098.db2.gz MGGYNTRWSHQBQU-LEOMRAHMSA-N 2 1 349.450 1.491 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1C1CC1 ZINC000998721997 706153891 /nfs/dbraw/zinc/15/38/91/706153891.db2.gz NFXFBZSYZSXHRQ-HOCLYGCPSA-N 2 1 346.479 1.096 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1C1CC1 ZINC000998721997 706153895 /nfs/dbraw/zinc/15/38/95/706153895.db2.gz NFXFBZSYZSXHRQ-HOCLYGCPSA-N 2 1 346.479 1.096 20 0 EDADMP Cc1ncsc1CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998731955 706164577 /nfs/dbraw/zinc/16/45/77/706164577.db2.gz PUOBMEGXNAWYSE-HUUCEWRRSA-N 2 1 336.505 1.669 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nncs2)C1 ZINC000998762356 706200029 /nfs/dbraw/zinc/20/00/29/706200029.db2.gz BNJOCOMNCXLGEJ-RUXDESIVSA-N 2 1 337.493 1.490 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nncs2)C1 ZINC000998762356 706200032 /nfs/dbraw/zinc/20/00/32/706200032.db2.gz BNJOCOMNCXLGEJ-RUXDESIVSA-N 2 1 337.493 1.490 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3conc3C)C2)CC[N@H+]1C ZINC000998794885 706241705 /nfs/dbraw/zinc/24/17/05/706241705.db2.gz RXHCBGRVYBTUHK-SJJHQCBESA-N 2 1 334.464 1.792 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C)c1 ZINC000998825175 706271728 /nfs/dbraw/zinc/27/17/28/706271728.db2.gz LYLCVGCLJPRGPU-RBUKOAKNSA-N 2 1 345.487 1.715 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C)c1 ZINC000998825175 706271730 /nfs/dbraw/zinc/27/17/30/706271730.db2.gz LYLCVGCLJPRGPU-RBUKOAKNSA-N 2 1 345.487 1.715 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC000998827241 706274331 /nfs/dbraw/zinc/27/43/31/706274331.db2.gz RALWXVHOCSSLJK-ZWKOTPCHSA-N 2 1 349.450 1.567 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC000998827241 706274333 /nfs/dbraw/zinc/27/43/33/706274333.db2.gz RALWXVHOCSSLJK-ZWKOTPCHSA-N 2 1 349.450 1.567 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000998995378 706412672 /nfs/dbraw/zinc/41/26/72/706412672.db2.gz QTPYSZCJCBTDHU-OFLPRAFFSA-N 2 1 333.480 1.026 20 0 EDADMP CN(C(=O)c1cc2c[nH]ccc-2n1)C1CC(NCc2nncn2C)C1 ZINC000998988785 706420676 /nfs/dbraw/zinc/42/06/76/706420676.db2.gz LNSMOIJLLWKWOO-UHFFFAOYSA-N 2 1 339.403 1.084 20 0 EDADMP Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)cn1 ZINC000999372920 706867495 /nfs/dbraw/zinc/86/74/95/706867495.db2.gz PJNDPEYIEAWWJS-HZPDHXFCSA-N 2 1 342.447 1.275 20 0 EDADMP Cc1oncc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000999373733 706868350 /nfs/dbraw/zinc/86/83/50/706868350.db2.gz QZADWNYDYLBGKP-HZPDHXFCSA-N 2 1 343.431 1.838 20 0 EDADMP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC000999364348 706878324 /nfs/dbraw/zinc/87/83/24/706878324.db2.gz MPOPJIVIPKSZIN-QGZVFWFLSA-N 2 1 330.476 1.955 20 0 EDADMP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)c1 ZINC000999401922 706909595 /nfs/dbraw/zinc/90/95/95/706909595.db2.gz AYPSDTCYIYZQAB-UQPPLGOBSA-N 2 1 346.475 1.511 20 0 EDADMP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000999402962 706911491 /nfs/dbraw/zinc/91/14/91/706911491.db2.gz SYYVQANHFAGLFU-MSOLQXFVSA-N 2 1 347.507 1.858 20 0 EDADMP Cc1nnsc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999406167 706915379 /nfs/dbraw/zinc/91/53/79/706915379.db2.gz LNDSAVHBRZGBPM-XGNXJENSSA-N 2 1 337.493 1.410 20 0 EDADMP COc1cncc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC000999406617 706915912 /nfs/dbraw/zinc/91/59/12/706915912.db2.gz OOZVTTNZTNLCBN-HLIUYOAVSA-N 2 1 347.463 1.049 20 0 EDADMP COc1nccc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC000999407530 706917010 /nfs/dbraw/zinc/91/70/10/706917010.db2.gz WSVCSOXHEYPTAX-JEYLPNPQSA-N 2 1 347.463 1.049 20 0 EDADMP CC(C)n1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC000999407829 706917552 /nfs/dbraw/zinc/91/75/52/706917552.db2.gz HBEIQUXRACRITK-ZLPCBKJTSA-N 2 1 347.507 1.885 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999506546 707003853 /nfs/dbraw/zinc/00/38/53/707003853.db2.gz BOHRIRGUQAKILR-ZWKOTPCHSA-N 2 1 330.476 1.955 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999512707 707011147 /nfs/dbraw/zinc/01/11/47/707011147.db2.gz QWBIHYXXGRNMRP-JKSUJKDBSA-N 2 1 348.495 1.424 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999512707 707011149 /nfs/dbraw/zinc/01/11/49/707011149.db2.gz QWBIHYXXGRNMRP-JKSUJKDBSA-N 2 1 348.495 1.424 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999515734 707015013 /nfs/dbraw/zinc/01/50/13/707015013.db2.gz YOLUNLKIRDOLLY-IRXDYDNUSA-N 2 1 333.480 1.293 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000999572327 707078320 /nfs/dbraw/zinc/07/83/20/707078320.db2.gz CQWUVMAJYGASPX-SJLPKXTDSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999572922 707079276 /nfs/dbraw/zinc/07/92/76/707079276.db2.gz GGJXRKYRQFJDDC-ZWKOTPCHSA-N 2 1 347.507 1.621 20 0 EDADMP CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690362 707122217 /nfs/dbraw/zinc/12/22/17/707122217.db2.gz OCLVUDNHUSWRAB-PBIMCDDKSA-N 2 1 347.503 1.430 20 0 EDADMP CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690362 707122220 /nfs/dbraw/zinc/12/22/20/707122220.db2.gz OCLVUDNHUSWRAB-PBIMCDDKSA-N 2 1 347.503 1.430 20 0 EDADMP CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690362 707122223 /nfs/dbraw/zinc/12/22/23/707122223.db2.gz OCLVUDNHUSWRAB-PBIMCDDKSA-N 2 1 347.503 1.430 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]3CC2)C1 ZINC000946729011 707255107 /nfs/dbraw/zinc/25/51/07/707255107.db2.gz QLYIUYQTAFDMKA-KSZLIROESA-N 2 1 337.508 1.271 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]3CC2)C1 ZINC000946729011 707255111 /nfs/dbraw/zinc/25/51/11/707255111.db2.gz QLYIUYQTAFDMKA-KSZLIROESA-N 2 1 337.508 1.271 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]3CC2)C1 ZINC000946729011 707255112 /nfs/dbraw/zinc/25/51/12/707255112.db2.gz QLYIUYQTAFDMKA-KSZLIROESA-N 2 1 337.508 1.271 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC000999724925 707265919 /nfs/dbraw/zinc/26/59/19/707265919.db2.gz LAHAAHXXWHTSBU-HZPDHXFCSA-N 2 1 334.464 1.587 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCF)C[C@H]3CC2)C1 ZINC000946731350 707268484 /nfs/dbraw/zinc/26/84/84/707268484.db2.gz MZHYASVNBASFIV-IXDOHACOSA-N 2 1 341.471 1.236 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCF)C[C@H]3CC2)C1 ZINC000946731350 707268486 /nfs/dbraw/zinc/26/84/86/707268486.db2.gz MZHYASVNBASFIV-IXDOHACOSA-N 2 1 341.471 1.236 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCF)C[C@H]3CC2)C1 ZINC000946731350 707268489 /nfs/dbraw/zinc/26/84/89/707268489.db2.gz MZHYASVNBASFIV-IXDOHACOSA-N 2 1 341.471 1.236 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCF)C[C@H]3CC2)C1 ZINC000946731350 707268492 /nfs/dbraw/zinc/26/84/92/707268492.db2.gz MZHYASVNBASFIV-IXDOHACOSA-N 2 1 341.471 1.236 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000999733000 707277930 /nfs/dbraw/zinc/27/79/30/707277930.db2.gz SDXLCWZOIWWNBF-CVEARBPZSA-N 2 1 346.475 1.379 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]2CC1)[NH+](C)C ZINC000946784789 707315207 /nfs/dbraw/zinc/31/52/07/707315207.db2.gz UIYSJJBQRWQPEH-KSZLIROESA-N 2 1 347.507 1.394 20 0 EDADMP C[C@@H](NCc1ccn(C)n1)[C@H]1CCCCN1C(=O)CCc1ncc[nH]1 ZINC001004840162 707426015 /nfs/dbraw/zinc/42/60/15/707426015.db2.gz DWWOBIFTXGEJBC-GDBMZVCRSA-N 2 1 344.463 1.635 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cnccc3C)C2)C1 ZINC000999860585 707496168 /nfs/dbraw/zinc/49/61/68/707496168.db2.gz CXIVELGQDBIJDT-DAWZGUTISA-N 2 1 346.475 1.190 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cnccc3C)C2)C1 ZINC000999860585 707496170 /nfs/dbraw/zinc/49/61/70/707496170.db2.gz CXIVELGQDBIJDT-DAWZGUTISA-N 2 1 346.475 1.190 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccsc3)C2)C1 ZINC000999860940 707497535 /nfs/dbraw/zinc/49/75/35/707497535.db2.gz GCNBANRPRAZDIA-GPANFISMSA-N 2 1 337.489 1.548 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccsc3)C2)C1 ZINC000999860940 707497537 /nfs/dbraw/zinc/49/75/37/707497537.db2.gz GCNBANRPRAZDIA-GPANFISMSA-N 2 1 337.489 1.548 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946808711 707507670 /nfs/dbraw/zinc/50/76/70/707507670.db2.gz RSVLTAXJZASNAQ-KSZLIROESA-N 2 1 337.508 1.412 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946808711 707507672 /nfs/dbraw/zinc/50/76/72/707507672.db2.gz RSVLTAXJZASNAQ-KSZLIROESA-N 2 1 337.508 1.412 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946808711 707507674 /nfs/dbraw/zinc/50/76/74/707507674.db2.gz RSVLTAXJZASNAQ-KSZLIROESA-N 2 1 337.508 1.412 20 0 EDADMP CCn1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3CC)C2)n1 ZINC000999876267 707522978 /nfs/dbraw/zinc/52/29/78/707522978.db2.gz KFHQICQHTZMQRV-BDVYOWHSSA-N 2 1 348.495 1.251 20 0 EDADMP CCn1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3CC)C2)n1 ZINC000999876267 707522980 /nfs/dbraw/zinc/52/29/80/707522980.db2.gz KFHQICQHTZMQRV-BDVYOWHSSA-N 2 1 348.495 1.251 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nccn3C)C2)C1 ZINC000999971606 707582131 /nfs/dbraw/zinc/58/21/31/707582131.db2.gz CJPNEPFICRDRSA-DLBZAZTESA-N 2 1 347.507 1.623 20 0 EDADMP CC[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1)OC ZINC001033365232 707659513 /nfs/dbraw/zinc/65/95/13/707659513.db2.gz DWKUXORZTIEYSC-HOTGVXAUSA-N 2 1 337.464 1.913 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1)OC ZINC001033365232 707659515 /nfs/dbraw/zinc/65/95/15/707659515.db2.gz DWKUXORZTIEYSC-HOTGVXAUSA-N 2 1 337.464 1.913 20 0 EDADMP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357378 707675447 /nfs/dbraw/zinc/67/54/47/707675447.db2.gz DYYAWSNEQUAAHQ-DLBZAZTESA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357378 707675448 /nfs/dbraw/zinc/67/54/48/707675448.db2.gz DYYAWSNEQUAAHQ-DLBZAZTESA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357378 707675449 /nfs/dbraw/zinc/67/54/49/707675449.db2.gz DYYAWSNEQUAAHQ-DLBZAZTESA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357378 707675450 /nfs/dbraw/zinc/67/54/50/707675450.db2.gz DYYAWSNEQUAAHQ-DLBZAZTESA-N 2 1 325.497 1.674 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033359467 707685513 /nfs/dbraw/zinc/68/55/13/707685513.db2.gz ZTPUPADWWNMVHH-BHYGNILZSA-N 2 1 345.491 1.548 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033359467 707685519 /nfs/dbraw/zinc/68/55/19/707685519.db2.gz ZTPUPADWWNMVHH-BHYGNILZSA-N 2 1 345.491 1.548 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033359467 707685522 /nfs/dbraw/zinc/68/55/22/707685522.db2.gz ZTPUPADWWNMVHH-BHYGNILZSA-N 2 1 345.491 1.548 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033359467 707685525 /nfs/dbraw/zinc/68/55/25/707685525.db2.gz ZTPUPADWWNMVHH-BHYGNILZSA-N 2 1 345.491 1.548 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213540 707709202 /nfs/dbraw/zinc/70/92/02/707709202.db2.gz KVUREZIUKASZHF-XJKSGUPXSA-N 2 1 330.432 1.824 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001033398465 707739244 /nfs/dbraw/zinc/73/92/44/707739244.db2.gz WTQHEZXMKFMDTI-WMZOPIPTSA-N 2 1 337.508 1.678 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)s1 ZINC001033414342 707786433 /nfs/dbraw/zinc/78/64/33/707786433.db2.gz ASNLOUDRNOMEHD-UKRRQHHQSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)s1 ZINC001033414342 707786434 /nfs/dbraw/zinc/78/64/34/707786434.db2.gz ASNLOUDRNOMEHD-UKRRQHHQSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)s1 ZINC001033414342 707786436 /nfs/dbraw/zinc/78/64/36/707786436.db2.gz ASNLOUDRNOMEHD-UKRRQHHQSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)s1 ZINC001033414342 707786437 /nfs/dbraw/zinc/78/64/37/707786437.db2.gz ASNLOUDRNOMEHD-UKRRQHHQSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001033420034 707829871 /nfs/dbraw/zinc/82/98/71/707829871.db2.gz LSPLTMWKTWILMF-MAUKXSAKSA-N 2 1 347.507 1.374 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)n1 ZINC001033420034 707829874 /nfs/dbraw/zinc/82/98/74/707829874.db2.gz LSPLTMWKTWILMF-MAUKXSAKSA-N 2 1 347.507 1.374 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)n1 ZINC001033420034 707829875 /nfs/dbraw/zinc/82/98/75/707829875.db2.gz LSPLTMWKTWILMF-MAUKXSAKSA-N 2 1 347.507 1.374 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033421292 707833840 /nfs/dbraw/zinc/83/38/40/707833840.db2.gz WTEOXWIZLDKZIF-GDBMZVCRSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033421292 707833842 /nfs/dbraw/zinc/83/38/42/707833842.db2.gz WTEOXWIZLDKZIF-GDBMZVCRSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033421292 707833843 /nfs/dbraw/zinc/83/38/43/707833843.db2.gz WTEOXWIZLDKZIF-GDBMZVCRSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033421292 707833844 /nfs/dbraw/zinc/83/38/44/707833844.db2.gz WTEOXWIZLDKZIF-GDBMZVCRSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001033422032 707835403 /nfs/dbraw/zinc/83/54/03/707835403.db2.gz FAVSMWMGGVUBDP-SJLPKXTDSA-N 2 1 347.507 1.517 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033422032 707835406 /nfs/dbraw/zinc/83/54/06/707835406.db2.gz FAVSMWMGGVUBDP-SJLPKXTDSA-N 2 1 347.507 1.517 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033422032 707835411 /nfs/dbraw/zinc/83/54/11/707835411.db2.gz FAVSMWMGGVUBDP-SJLPKXTDSA-N 2 1 347.507 1.517 20 0 EDADMP CCn1ncc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)n1 ZINC001004990315 707851301 /nfs/dbraw/zinc/85/13/01/707851301.db2.gz HTMCHFSNZSHQOC-DOTOQJQBSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cncn1C ZINC001004993122 707875844 /nfs/dbraw/zinc/87/58/44/707875844.db2.gz PTPPZZLGBKZURE-WMLDXEAASA-N 2 1 344.463 1.484 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476302 707937037 /nfs/dbraw/zinc/93/70/37/707937037.db2.gz UWEYHOQFRMEKAF-QGZVFWFLSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476302 707937040 /nfs/dbraw/zinc/93/70/40/707937040.db2.gz UWEYHOQFRMEKAF-QGZVFWFLSA-N 2 1 334.464 1.748 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001033476946 707939190 /nfs/dbraw/zinc/93/91/90/707939190.db2.gz ZDFYGCVWGTZWGT-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccnn2C)C1 ZINC001033472734 707960765 /nfs/dbraw/zinc/96/07/65/707960765.db2.gz AZINJAJHLUGOGF-SJLPKXTDSA-N 2 1 347.507 1.716 20 0 EDADMP Cc1ccc(F)cc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032781865 707971472 /nfs/dbraw/zinc/97/14/72/707971472.db2.gz KWPCTSCQHHWZPO-JLSDUUJJSA-N 2 1 331.435 1.871 20 0 EDADMP Cc1ccc(F)cc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001032781865 707971474 /nfs/dbraw/zinc/97/14/74/707971474.db2.gz KWPCTSCQHHWZPO-JLSDUUJJSA-N 2 1 331.435 1.871 20 0 EDADMP Cc1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032781865 707971477 /nfs/dbraw/zinc/97/14/77/707971477.db2.gz KWPCTSCQHHWZPO-JLSDUUJJSA-N 2 1 331.435 1.871 20 0 EDADMP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032781865 707971479 /nfs/dbraw/zinc/97/14/79/707971479.db2.gz KWPCTSCQHHWZPO-JLSDUUJJSA-N 2 1 331.435 1.871 20 0 EDADMP CC[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490152 707984277 /nfs/dbraw/zinc/98/42/77/707984277.db2.gz NURNNNCKSBQQBP-NVXWUHKLSA-N 2 1 335.496 1.637 20 0 EDADMP CC(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000714786 708063207 /nfs/dbraw/zinc/06/32/07/708063207.db2.gz NDJWRSUPIRRTQX-ZWKOTPCHSA-N 2 1 335.492 1.644 20 0 EDADMP CC(C)CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001000714786 708063208 /nfs/dbraw/zinc/06/32/08/708063208.db2.gz NDJWRSUPIRRTQX-ZWKOTPCHSA-N 2 1 335.492 1.644 20 0 EDADMP CC(C)CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001000714786 708063209 /nfs/dbraw/zinc/06/32/09/708063209.db2.gz NDJWRSUPIRRTQX-ZWKOTPCHSA-N 2 1 335.492 1.644 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001000917834 708076359 /nfs/dbraw/zinc/07/63/59/708076359.db2.gz NABKQUNFKABMHT-DLBZAZTESA-N 2 1 331.460 1.728 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001005185113 708112431 /nfs/dbraw/zinc/11/24/31/708112431.db2.gz PWUIBYIYZHNYQZ-ZWKOTPCHSA-N 2 1 337.508 1.963 20 0 EDADMP COc1ncccc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005179908 708122750 /nfs/dbraw/zinc/12/27/50/708122750.db2.gz OYVKFQCIKGGMRU-KRWDZBQOSA-N 2 1 346.475 1.607 20 0 EDADMP COc1ncccc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005179908 708122751 /nfs/dbraw/zinc/12/27/51/708122751.db2.gz OYVKFQCIKGGMRU-KRWDZBQOSA-N 2 1 346.475 1.607 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005210560 708236683 /nfs/dbraw/zinc/23/66/83/708236683.db2.gz WHLDLTSWSWBHIH-KRWDZBQOSA-N 2 1 337.508 1.676 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005210560 708236688 /nfs/dbraw/zinc/23/66/88/708236688.db2.gz WHLDLTSWSWBHIH-KRWDZBQOSA-N 2 1 337.508 1.676 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001005210978 708237779 /nfs/dbraw/zinc/23/77/79/708237779.db2.gz YEUGXTQFRPNAEA-SFHVURJKSA-N 2 1 335.492 1.740 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001005210978 708237781 /nfs/dbraw/zinc/23/77/81/708237781.db2.gz YEUGXTQFRPNAEA-SFHVURJKSA-N 2 1 335.492 1.740 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033583331 708267463 /nfs/dbraw/zinc/26/74/63/708267463.db2.gz SYZNPZUGBHMBCQ-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033583331 708267466 /nfs/dbraw/zinc/26/74/66/708267466.db2.gz SYZNPZUGBHMBCQ-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033583331 708267469 /nfs/dbraw/zinc/26/74/69/708267469.db2.gz SYZNPZUGBHMBCQ-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033658136 708424777 /nfs/dbraw/zinc/42/47/77/708424777.db2.gz PQKXWVGYHJFVOF-GOSISDBHSA-N 2 1 344.503 1.881 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)o1 ZINC001033658148 708428903 /nfs/dbraw/zinc/42/89/03/708428903.db2.gz PRYLJTVUCVMMML-HNNXBMFYSA-N 2 1 334.464 1.674 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)o1 ZINC001033658148 708428906 /nfs/dbraw/zinc/42/89/06/708428906.db2.gz PRYLJTVUCVMMML-HNNXBMFYSA-N 2 1 334.464 1.674 20 0 EDADMP CO[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1)C1CCCC1 ZINC001033669226 708458200 /nfs/dbraw/zinc/45/82/00/708458200.db2.gz PDJUUMZSARIRGO-ROUUACIJSA-N 2 1 348.491 1.929 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1)C1CCCC1 ZINC001033669226 708458203 /nfs/dbraw/zinc/45/82/03/708458203.db2.gz PDJUUMZSARIRGO-ROUUACIJSA-N 2 1 348.491 1.929 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001033659219 708470882 /nfs/dbraw/zinc/47/08/82/708470882.db2.gz BVILIIVSZHUPEI-LSDHHAIUSA-N 2 1 332.448 1.536 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001033659219 708470887 /nfs/dbraw/zinc/47/08/87/708470887.db2.gz BVILIIVSZHUPEI-LSDHHAIUSA-N 2 1 332.448 1.536 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001033659219 708470890 /nfs/dbraw/zinc/47/08/90/708470890.db2.gz BVILIIVSZHUPEI-LSDHHAIUSA-N 2 1 332.448 1.536 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001033659219 708470894 /nfs/dbraw/zinc/47/08/94/708470894.db2.gz BVILIIVSZHUPEI-LSDHHAIUSA-N 2 1 332.448 1.536 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2conc2C)C1 ZINC001033830937 708852624 /nfs/dbraw/zinc/85/26/24/708852624.db2.gz QBDWTGLUTYYYEQ-MSOLQXFVSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2conc2C)C1 ZINC001033830937 708852627 /nfs/dbraw/zinc/85/26/27/708852627.db2.gz QBDWTGLUTYYYEQ-MSOLQXFVSA-N 2 1 346.475 1.748 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCOC3CCC3)CC2)CC[N@H+]1C ZINC001005406839 708936537 /nfs/dbraw/zinc/93/65/37/708936537.db2.gz HJAVRGAMVOUJTP-CRAIPNDOSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3cncs3)CC2)CC[N@@H+]1C ZINC001005406872 708936593 /nfs/dbraw/zinc/93/65/93/708936593.db2.gz JCQYYCUWYQCHGM-CZUORRHYSA-N 2 1 336.505 1.906 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3cncs3)CC2)CC[N@H+]1C ZINC001005406872 708936595 /nfs/dbraw/zinc/93/65/95/708936595.db2.gz JCQYYCUWYQCHGM-CZUORRHYSA-N 2 1 336.505 1.906 20 0 EDADMP COc1ccc(CC[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC001002461923 708987066 /nfs/dbraw/zinc/98/70/66/708987066.db2.gz RYWLRIGCJDGBFI-LJQANCHMSA-N 2 1 345.487 1.913 20 0 EDADMP Cc1nc(CC[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)cs1 ZINC001002479281 709028779 /nfs/dbraw/zinc/02/87/79/709028779.db2.gz HTWFLMHNOVXRGP-MRXNPFEDSA-N 2 1 336.505 1.669 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033906362 709036390 /nfs/dbraw/zinc/03/63/90/709036390.db2.gz OCWBLVWAQBQGDN-NRGCRIOASA-N 2 1 349.519 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001033906362 709036392 /nfs/dbraw/zinc/03/63/92/709036392.db2.gz OCWBLVWAQBQGDN-NRGCRIOASA-N 2 1 349.519 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001033906362 709036395 /nfs/dbraw/zinc/03/63/95/709036395.db2.gz OCWBLVWAQBQGDN-NRGCRIOASA-N 2 1 349.519 1.819 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033928372 709059809 /nfs/dbraw/zinc/05/98/09/709059809.db2.gz YXQYGCNBYJJHRH-MSOLQXFVSA-N 2 1 347.507 1.370 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033928372 709059812 /nfs/dbraw/zinc/05/98/12/709059812.db2.gz YXQYGCNBYJJHRH-MSOLQXFVSA-N 2 1 347.507 1.370 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033928372 709059814 /nfs/dbraw/zinc/05/98/14/709059814.db2.gz YXQYGCNBYJJHRH-MSOLQXFVSA-N 2 1 347.507 1.370 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033939954 709145361 /nfs/dbraw/zinc/14/53/61/709145361.db2.gz FDPQMHVTOWJHLU-QGZVFWFLSA-N 2 1 333.480 1.185 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033939954 709145363 /nfs/dbraw/zinc/14/53/63/709145363.db2.gz FDPQMHVTOWJHLU-QGZVFWFLSA-N 2 1 333.480 1.185 20 0 EDADMP CCOC1CC(C[N@H+]2CC[C@@H](N(CC)C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001034014095 709228626 /nfs/dbraw/zinc/22/86/26/709228626.db2.gz BHQKMKNTHMZMDA-LXPRWKDFSA-N 2 1 349.519 1.820 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2cc(C)ns2)C1 ZINC001034014683 709229773 /nfs/dbraw/zinc/22/97/73/709229773.db2.gz CBXIQBUYDZBQHG-HNNXBMFYSA-N 2 1 348.516 1.970 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2cc(C)ns2)C1 ZINC001034014683 709229776 /nfs/dbraw/zinc/22/97/76/709229776.db2.gz CBXIQBUYDZBQHG-HNNXBMFYSA-N 2 1 348.516 1.970 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2cc(C)ns2)C1 ZINC001034040703 709251863 /nfs/dbraw/zinc/25/18/63/709251863.db2.gz WFTBNQICLCGCIG-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc(C)ns2)C1 ZINC001034040703 709251865 /nfs/dbraw/zinc/25/18/65/709251865.db2.gz WFTBNQICLCGCIG-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc(C)ns2)C1 ZINC001034040703 709251869 /nfs/dbraw/zinc/25/18/69/709251869.db2.gz WFTBNQICLCGCIG-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C)ns2)C1 ZINC001034040703 709251871 /nfs/dbraw/zinc/25/18/71/709251871.db2.gz WFTBNQICLCGCIG-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C)ns2)C1 ZINC001034040703 709251874 /nfs/dbraw/zinc/25/18/74/709251874.db2.gz WFTBNQICLCGCIG-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC001034037789 709270368 /nfs/dbraw/zinc/27/03/68/709270368.db2.gz FMEHWUFAZODQNN-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cnc(C)s2)C1 ZINC001034037789 709270369 /nfs/dbraw/zinc/27/03/69/709270369.db2.gz FMEHWUFAZODQNN-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cnc(C)s2)C1 ZINC001034037789 709270371 /nfs/dbraw/zinc/27/03/71/709270371.db2.gz FMEHWUFAZODQNN-GJZGRUSLSA-N 2 1 336.505 1.826 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2cc(OC)no2)C1 ZINC001034039936 709273123 /nfs/dbraw/zinc/27/31/23/709273123.db2.gz NXYFSDLIHWZKFQ-KGLIPLIRSA-N 2 1 336.436 1.058 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC001034041411 709289851 /nfs/dbraw/zinc/28/98/51/709289851.db2.gz CZRBKVLRXBTJDZ-SJORKVTESA-N 2 1 330.476 1.765 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ncccc2C)C1 ZINC001034041411 709289853 /nfs/dbraw/zinc/28/98/53/709289853.db2.gz CZRBKVLRXBTJDZ-SJORKVTESA-N 2 1 330.476 1.765 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ncccc2C)C1 ZINC001034041411 709289855 /nfs/dbraw/zinc/28/98/55/709289855.db2.gz CZRBKVLRXBTJDZ-SJORKVTESA-N 2 1 330.476 1.765 20 0 EDADMP CN1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034147840 709418873 /nfs/dbraw/zinc/41/88/73/709418873.db2.gz CMWGIZBUNWGPMW-GJZGRUSLSA-N 2 1 345.434 1.333 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001034147840 709418874 /nfs/dbraw/zinc/41/88/74/709418874.db2.gz CMWGIZBUNWGPMW-GJZGRUSLSA-N 2 1 345.434 1.333 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001034147840 709418875 /nfs/dbraw/zinc/41/88/75/709418875.db2.gz CMWGIZBUNWGPMW-GJZGRUSLSA-N 2 1 345.434 1.333 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034147840 709418876 /nfs/dbraw/zinc/41/88/76/709418876.db2.gz CMWGIZBUNWGPMW-GJZGRUSLSA-N 2 1 345.434 1.333 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034147840 709418877 /nfs/dbraw/zinc/41/88/77/709418877.db2.gz CMWGIZBUNWGPMW-GJZGRUSLSA-N 2 1 345.434 1.333 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)c(C)o1 ZINC001002835009 709450796 /nfs/dbraw/zinc/45/07/96/709450796.db2.gz WDQJMFXCWJGTTG-KRWDZBQOSA-N 2 1 346.475 1.714 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC001032828557 709452994 /nfs/dbraw/zinc/45/29/94/709452994.db2.gz LAVHDCYDHQYVRA-RCCFBDPRSA-N 2 1 349.450 1.014 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC001032828557 709452995 /nfs/dbraw/zinc/45/29/95/709452995.db2.gz LAVHDCYDHQYVRA-RCCFBDPRSA-N 2 1 349.450 1.014 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC001032828557 709452996 /nfs/dbraw/zinc/45/29/96/709452996.db2.gz LAVHDCYDHQYVRA-RCCFBDPRSA-N 2 1 349.450 1.014 20 0 EDADMP C[C@@H](c1cnccn1)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001032830135 709465729 /nfs/dbraw/zinc/46/57/29/709465729.db2.gz CGLVJMHZWHLJAT-VGWMRTNUSA-N 2 1 331.464 1.458 20 0 EDADMP C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032830135 709465731 /nfs/dbraw/zinc/46/57/31/709465731.db2.gz CGLVJMHZWHLJAT-VGWMRTNUSA-N 2 1 331.464 1.458 20 0 EDADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032830135 709465732 /nfs/dbraw/zinc/46/57/32/709465732.db2.gz CGLVJMHZWHLJAT-VGWMRTNUSA-N 2 1 331.464 1.458 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001032830135 709465734 /nfs/dbraw/zinc/46/57/34/709465734.db2.gz CGLVJMHZWHLJAT-VGWMRTNUSA-N 2 1 331.464 1.458 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001032830135 709465735 /nfs/dbraw/zinc/46/57/35/709465735.db2.gz CGLVJMHZWHLJAT-VGWMRTNUSA-N 2 1 331.464 1.458 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001034208962 709558096 /nfs/dbraw/zinc/55/80/96/709558096.db2.gz VPVQVGYGWXZDAJ-AEFFLSMTSA-N 2 1 346.475 1.796 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001034208962 709558097 /nfs/dbraw/zinc/55/80/97/709558097.db2.gz VPVQVGYGWXZDAJ-AEFFLSMTSA-N 2 1 346.475 1.796 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](CCn2cccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034212972 709564241 /nfs/dbraw/zinc/56/42/41/709564241.db2.gz SMYIGDSWPKTRRQ-ZWKOTPCHSA-N 2 1 345.491 1.196 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3cncn3C)C2)CC[N@@H+]1C ZINC001034214086 709565846 /nfs/dbraw/zinc/56/58/46/709565846.db2.gz GIFAPFXJWWZAMG-HLLBOEOZSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3cncn3C)C2)CC[N@H+]1C ZINC001034214086 709565850 /nfs/dbraw/zinc/56/58/50/709565850.db2.gz GIFAPFXJWWZAMG-HLLBOEOZSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cncn3C)C2)CC[NH+]1C ZINC001034214086 709565854 /nfs/dbraw/zinc/56/58/54/709565854.db2.gz GIFAPFXJWWZAMG-HLLBOEOZSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cncn3C)C2)CC[NH+]1C ZINC001034214086 709565857 /nfs/dbraw/zinc/56/58/57/709565857.db2.gz GIFAPFXJWWZAMG-HLLBOEOZSA-N 2 1 333.480 1.231 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CCn2cccn2)C1)C12CCC[NH+]1CCC2 ZINC001034290067 709714862 /nfs/dbraw/zinc/71/48/62/709714862.db2.gz FLSULADZDHGOGD-QGZVFWFLSA-N 2 1 345.491 1.482 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC001061214321 709739065 /nfs/dbraw/zinc/73/90/65/709739065.db2.gz NVXIQGQSHBNGHV-HOTGVXAUSA-N 2 1 331.464 1.472 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC001061214321 709739068 /nfs/dbraw/zinc/73/90/68/709739068.db2.gz NVXIQGQSHBNGHV-HOTGVXAUSA-N 2 1 331.464 1.472 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CC[NH+](Cc2cnnn2C)CC1 ZINC001003011816 709783527 /nfs/dbraw/zinc/78/35/27/709783527.db2.gz SJKBRMOZEOFZHB-INIZCTEOSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CC[NH+](Cc2cnnn2C)CC1 ZINC001003011816 709783529 /nfs/dbraw/zinc/78/35/29/709783529.db2.gz SJKBRMOZEOFZHB-INIZCTEOSA-N 2 1 348.495 1.159 20 0 EDADMP COC[C@H](C)[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340463 709803826 /nfs/dbraw/zinc/80/38/26/709803826.db2.gz NWVOJELLJAZGIQ-HOTGVXAUSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H](c1cnccn1)[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386888 709915754 /nfs/dbraw/zinc/91/57/54/709915754.db2.gz VAOIVEUMCJMPNR-DOTOQJQBSA-N 2 1 345.491 1.850 20 0 EDADMP C[C@@H](c1cnccn1)[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386888 709915756 /nfs/dbraw/zinc/91/57/56/709915756.db2.gz VAOIVEUMCJMPNR-DOTOQJQBSA-N 2 1 345.491 1.850 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CCc3cnn(C)c3)C2)C1 ZINC001034394147 709930283 /nfs/dbraw/zinc/93/02/83/709930283.db2.gz JRIPZQIIOPYQFB-AEFFLSMTSA-N 2 1 347.507 1.275 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCc3cnn(C)c3)C2)C1 ZINC001034394147 709930285 /nfs/dbraw/zinc/93/02/85/709930285.db2.gz JRIPZQIIOPYQFB-AEFFLSMTSA-N 2 1 347.507 1.275 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCc3cnn(C)c3)C2)C1 ZINC001034394147 709930286 /nfs/dbraw/zinc/93/02/86/709930286.db2.gz JRIPZQIIOPYQFB-AEFFLSMTSA-N 2 1 347.507 1.275 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001003160428 710069500 /nfs/dbraw/zinc/06/95/00/710069500.db2.gz PINJUHLDEPHZME-SJORKVTESA-N 2 1 337.508 1.866 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001003161048 710070429 /nfs/dbraw/zinc/07/04/29/710070429.db2.gz RYTUOLVEOZBDBT-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](C[C@H]2CCCOC2)C1)C12CC[NH+](CC1)C2 ZINC001034487969 710136904 /nfs/dbraw/zinc/13/69/04/710136904.db2.gz RVLLNDUTDVAGRT-IAGOWNOFSA-N 2 1 335.492 1.480 20 0 EDADMP C[C@H](C[C@@H]1COCC[NH2+]1)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000423030868 710170172 /nfs/dbraw/zinc/17/01/72/710170172.db2.gz KBBFZKUXBXFGAX-NVXWUHKLSA-N 2 1 347.503 1.995 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034529541 710184412 /nfs/dbraw/zinc/18/44/12/710184412.db2.gz ITYAHLSWNYJTFL-KRWDZBQOSA-N 2 1 344.463 1.404 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034529541 710184414 /nfs/dbraw/zinc/18/44/14/710184414.db2.gz ITYAHLSWNYJTFL-KRWDZBQOSA-N 2 1 344.463 1.404 20 0 EDADMP O=C(NC1CC[NH+](C/C=C/Cl)CC1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001003333709 710257674 /nfs/dbraw/zinc/25/76/74/710257674.db2.gz SJALKBCQCVAFBS-PZUDQQFRSA-N 2 1 339.867 1.183 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3=CCCCC3)CC2)C1 ZINC001034614344 710289435 /nfs/dbraw/zinc/28/94/35/710289435.db2.gz NGBZSFDZRVOHJB-BZSNNMDCSA-N 2 1 335.492 1.834 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3=CCCCC3)CC2)C1 ZINC001034614344 710289437 /nfs/dbraw/zinc/28/94/37/710289437.db2.gz NGBZSFDZRVOHJB-BZSNNMDCSA-N 2 1 335.492 1.834 20 0 EDADMP CC[C@H](F)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001003497315 710382340 /nfs/dbraw/zinc/38/23/40/710382340.db2.gz SSYPLMHHACHZLK-GOEBONIOSA-N 2 1 329.460 1.424 20 0 EDADMP CC[C@H](F)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001003497315 710382341 /nfs/dbraw/zinc/38/23/41/710382341.db2.gz SSYPLMHHACHZLK-GOEBONIOSA-N 2 1 329.460 1.424 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003626673 710447580 /nfs/dbraw/zinc/44/75/80/710447580.db2.gz UNLZIBNTGGDYMC-CQSZACIVSA-N 2 1 333.480 1.151 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)c1 ZINC001003625070 710454163 /nfs/dbraw/zinc/45/41/63/710454163.db2.gz ALKKUSALRMRHGC-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)c1 ZINC001003625070 710454165 /nfs/dbraw/zinc/45/41/65/710454165.db2.gz ALKKUSALRMRHGC-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP CCn1cc(CC[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)cn1 ZINC001003627620 710457665 /nfs/dbraw/zinc/45/76/65/710457665.db2.gz HKYWAYXSUYEOSJ-MRXNPFEDSA-N 2 1 347.507 1.510 20 0 EDADMP CO[C@H](C)C[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001003856879 710703464 /nfs/dbraw/zinc/70/34/64/710703464.db2.gz LYFNMSOORBXBEN-CQSZACIVSA-N 2 1 343.431 1.496 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001034693332 710783469 /nfs/dbraw/zinc/78/34/69/710783469.db2.gz WSTVESVDKQKODB-SHTZXODSSA-N 2 1 331.420 1.705 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CC3)CC2)C1 ZINC001034712184 710870584 /nfs/dbraw/zinc/87/05/84/710870584.db2.gz BOWCELWCMDSRQH-KZNAEPCWSA-N 2 1 337.508 1.913 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CC3)CC2)C1 ZINC001034712184 710870587 /nfs/dbraw/zinc/87/05/87/710870587.db2.gz BOWCELWCMDSRQH-KZNAEPCWSA-N 2 1 337.508 1.913 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC001034739145 710933001 /nfs/dbraw/zinc/93/30/01/710933001.db2.gz YJTLSPLLAFFKMN-DTZQCDIJSA-N 2 1 334.464 1.698 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC001034737874 710951460 /nfs/dbraw/zinc/95/14/60/710951460.db2.gz OBJXKVXBGZWGDG-BNEJOLLZSA-N 2 1 345.491 1.500 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC001032960372 710969400 /nfs/dbraw/zinc/96/94/00/710969400.db2.gz RKTPEKUXTAPXGV-WMZOPIPTSA-N 2 1 349.450 1.445 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC001032960372 710969403 /nfs/dbraw/zinc/96/94/03/710969403.db2.gz RKTPEKUXTAPXGV-WMZOPIPTSA-N 2 1 349.450 1.445 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cc(CO)ccc2F)C1 ZINC001032960372 710969405 /nfs/dbraw/zinc/96/94/05/710969405.db2.gz RKTPEKUXTAPXGV-WMZOPIPTSA-N 2 1 349.450 1.445 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cc(CO)ccc2F)C1 ZINC001032960372 710969407 /nfs/dbraw/zinc/96/94/07/710969407.db2.gz RKTPEKUXTAPXGV-WMZOPIPTSA-N 2 1 349.450 1.445 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034775720 711049431 /nfs/dbraw/zinc/04/94/31/711049431.db2.gz HHJIDQNMANIZCR-ULQDDVLXSA-N 2 1 347.507 1.762 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nc1 ZINC001034775543 711049629 /nfs/dbraw/zinc/04/96/29/711049629.db2.gz CKNUMDQZKILKGD-ULQDDVLXSA-N 2 1 345.491 1.644 20 0 EDADMP Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034779131 711083378 /nfs/dbraw/zinc/08/33/78/711083378.db2.gz RBZYBDCAUPXXDO-BZUAXINKSA-N 2 1 333.480 1.279 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000922335615 711086349 /nfs/dbraw/zinc/08/63/49/711086349.db2.gz SQINCYSHSFYSGB-PKOBYXMFSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000922335615 711086352 /nfs/dbraw/zinc/08/63/52/711086352.db2.gz SQINCYSHSFYSGB-PKOBYXMFSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000922335615 711086355 /nfs/dbraw/zinc/08/63/55/711086355.db2.gz SQINCYSHSFYSGB-PKOBYXMFSA-N 2 1 330.476 1.902 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC001005712348 711097151 /nfs/dbraw/zinc/09/71/51/711097151.db2.gz CPANRXPQVXWDFO-DOTOQJQBSA-N 2 1 334.464 1.682 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001032980201 711104658 /nfs/dbraw/zinc/10/46/58/711104658.db2.gz KZDIAUOUJYYETM-GOEBONIOSA-N 2 1 337.489 1.154 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001032980201 711104660 /nfs/dbraw/zinc/10/46/60/711104660.db2.gz KZDIAUOUJYYETM-GOEBONIOSA-N 2 1 337.489 1.154 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCc2cccs2)C1 ZINC001032980201 711104661 /nfs/dbraw/zinc/10/46/61/711104661.db2.gz KZDIAUOUJYYETM-GOEBONIOSA-N 2 1 337.489 1.154 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCc2cccs2)C1 ZINC001032980201 711104663 /nfs/dbraw/zinc/10/46/63/711104663.db2.gz KZDIAUOUJYYETM-GOEBONIOSA-N 2 1 337.489 1.154 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC001034793944 711126003 /nfs/dbraw/zinc/12/60/03/711126003.db2.gz WYLSVPXFFSJIIX-SHTZXODSSA-N 2 1 345.451 1.020 20 0 EDADMP CO[C@H](C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC001003972970 711128208 /nfs/dbraw/zinc/12/82/08/711128208.db2.gz CIVARKRUMFHVMN-MAUKXSAKSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034797394 711131521 /nfs/dbraw/zinc/13/15/21/711131521.db2.gz ZBORPXDNAALOMK-KPOQHDDYSA-N 2 1 347.507 1.810 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)sc1C ZINC001034882077 711283545 /nfs/dbraw/zinc/28/35/45/711283545.db2.gz RRHXBVBBSNUGIV-HUUCEWRRSA-N 2 1 336.505 1.935 20 0 EDADMP Cc1cc(N2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)nc(C)[nH+]1 ZINC001061379110 711298672 /nfs/dbraw/zinc/29/86/72/711298672.db2.gz GFADHVOFBPRGEF-HNNXBMFYSA-N 2 1 329.448 1.274 20 0 EDADMP CCc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)o1 ZINC001034957007 711428057 /nfs/dbraw/zinc/42/80/57/711428057.db2.gz HSJUMWXCYVOCOL-CQSZACIVSA-N 2 1 334.464 1.802 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)nc1C(F)F)C2 ZINC000922387802 711428076 /nfs/dbraw/zinc/42/80/76/711428076.db2.gz BAVGCSGFPHEBAJ-LGWLGOQQSA-N 2 1 342.434 1.927 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)s1 ZINC001034957489 711429048 /nfs/dbraw/zinc/42/90/48/711429048.db2.gz XEBHFGIDZSQBBE-CYBMUJFWSA-N 2 1 337.493 1.411 20 0 EDADMP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)ccn1 ZINC001034957698 711429996 /nfs/dbraw/zinc/42/99/96/711429996.db2.gz FMCLYNFDIQGXRT-QGZVFWFLSA-N 2 1 346.475 1.655 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cnon2)C1 ZINC001034958241 711431872 /nfs/dbraw/zinc/43/18/72/711431872.db2.gz FBNFCYPYUXPMEG-GOEBONIOSA-N 2 1 335.452 1.128 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cnon2)C1 ZINC001034958241 711431875 /nfs/dbraw/zinc/43/18/75/711431875.db2.gz FBNFCYPYUXPMEG-GOEBONIOSA-N 2 1 335.452 1.128 20 0 EDADMP Cc1nonc1C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001034959256 711433870 /nfs/dbraw/zinc/43/38/70/711433870.db2.gz UQICWFDPRITWEB-JKSUJKDBSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1nonc1C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001034959256 711433871 /nfs/dbraw/zinc/43/38/71/711433871.db2.gz UQICWFDPRITWEB-JKSUJKDBSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001034939624 711442344 /nfs/dbraw/zinc/44/23/44/711442344.db2.gz HXTNLZSJQLRITN-FVQBIDKESA-N 2 1 334.464 1.712 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922465347 711581154 /nfs/dbraw/zinc/58/11/54/711581154.db2.gz BAWJCRSGSCEGSY-XHSDSOJGSA-N 2 1 340.537 1.740 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922465347 711581155 /nfs/dbraw/zinc/58/11/55/711581155.db2.gz BAWJCRSGSCEGSY-XHSDSOJGSA-N 2 1 340.537 1.740 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000922465347 711581156 /nfs/dbraw/zinc/58/11/56/711581156.db2.gz BAWJCRSGSCEGSY-XHSDSOJGSA-N 2 1 340.537 1.740 20 0 EDADMP C[C@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004523455 711924021 /nfs/dbraw/zinc/92/40/21/711924021.db2.gz QVXNFGLJJUKINI-MAUKXSAKSA-N 2 1 337.508 1.412 20 0 EDADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623779 711925393 /nfs/dbraw/zinc/92/53/93/711925393.db2.gz QTZMUTARBKUDGH-DZJNRPSUSA-N 2 1 337.508 1.532 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCN(Cc2ccn(C)n2)C1 ZINC001033151117 712117645 /nfs/dbraw/zinc/11/76/45/712117645.db2.gz IIMSTANHVSQLPT-MSOLQXFVSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCN(Cc2ccnn2C)C1 ZINC001033152217 712145743 /nfs/dbraw/zinc/14/57/43/712145743.db2.gz NNFQOMQLTAZWMD-IAGOWNOFSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033152217 712145747 /nfs/dbraw/zinc/14/57/47/712145747.db2.gz NNFQOMQLTAZWMD-IAGOWNOFSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033152217 712145751 /nfs/dbraw/zinc/14/57/51/712145751.db2.gz NNFQOMQLTAZWMD-IAGOWNOFSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033152217 712145755 /nfs/dbraw/zinc/14/57/55/712145755.db2.gz NNFQOMQLTAZWMD-IAGOWNOFSA-N 2 1 347.507 1.716 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033152217 712145757 /nfs/dbraw/zinc/14/57/57/712145757.db2.gz NNFQOMQLTAZWMD-IAGOWNOFSA-N 2 1 347.507 1.716 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946644709 712152836 /nfs/dbraw/zinc/15/28/36/712152836.db2.gz ICPHKCIJKQJTHW-YRXWBPOGSA-N 2 1 349.519 1.678 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946644709 712152837 /nfs/dbraw/zinc/15/28/37/712152837.db2.gz ICPHKCIJKQJTHW-YRXWBPOGSA-N 2 1 349.519 1.678 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946644709 712152840 /nfs/dbraw/zinc/15/28/40/712152840.db2.gz ICPHKCIJKQJTHW-YRXWBPOGSA-N 2 1 349.519 1.678 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946657417 712247955 /nfs/dbraw/zinc/24/79/55/712247955.db2.gz KJUDPZZHLMYGPD-FGTMMUONSA-N 2 1 337.508 1.270 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946657417 712247957 /nfs/dbraw/zinc/24/79/57/712247957.db2.gz KJUDPZZHLMYGPD-FGTMMUONSA-N 2 1 337.508 1.270 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946657417 712247960 /nfs/dbraw/zinc/24/79/60/712247960.db2.gz KJUDPZZHLMYGPD-FGTMMUONSA-N 2 1 337.508 1.270 20 0 EDADMP CCNc1nc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000557736318 306233602 /nfs/dbraw/zinc/23/36/02/306233602.db2.gz BIERCQVJNMCTJA-ZIAGYGMSSA-N 2 1 347.511 1.999 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433343812 539558449 /nfs/dbraw/zinc/55/84/49/539558449.db2.gz PJCUJUHNYVVQFM-CVEARBPZSA-N 2 1 328.501 1.517 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000436125040 539569672 /nfs/dbraw/zinc/56/96/72/539569672.db2.gz PABRBHMKIUODEE-CABCVRRESA-N 2 1 328.501 1.203 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000151485679 539755374 /nfs/dbraw/zinc/75/53/74/539755374.db2.gz CNIOZKPPMAMOAD-ZBFHGGJFSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000151485679 539755377 /nfs/dbraw/zinc/75/53/77/539755377.db2.gz CNIOZKPPMAMOAD-ZBFHGGJFSA-N 2 1 326.485 1.127 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)[N@H+](C)C1 ZINC000343728381 539795498 /nfs/dbraw/zinc/79/54/98/539795498.db2.gz VAFNCSOYWCYQLQ-ROUUACIJSA-N 2 1 345.487 1.659 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)[N@@H+](C)C1 ZINC000343728381 539795502 /nfs/dbraw/zinc/79/55/02/539795502.db2.gz VAFNCSOYWCYQLQ-ROUUACIJSA-N 2 1 345.487 1.659 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)[NH+](C)C1 ZINC000343728381 539795505 /nfs/dbraw/zinc/79/55/05/539795505.db2.gz VAFNCSOYWCYQLQ-ROUUACIJSA-N 2 1 345.487 1.659 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)[NH+](C)C1 ZINC000343728381 539795511 /nfs/dbraw/zinc/79/55/11/539795511.db2.gz VAFNCSOYWCYQLQ-ROUUACIJSA-N 2 1 345.487 1.659 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152363078 539807677 /nfs/dbraw/zinc/80/76/77/539807677.db2.gz YEYBUVABPOTWAM-YESZJQIVSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152363078 539807682 /nfs/dbraw/zinc/80/76/82/539807682.db2.gz YEYBUVABPOTWAM-YESZJQIVSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152504689 539815431 /nfs/dbraw/zinc/81/54/31/539815431.db2.gz NMTBCGQPBXUZPO-HOCLYGCPSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152504689 539815435 /nfs/dbraw/zinc/81/54/35/539815435.db2.gz NMTBCGQPBXUZPO-HOCLYGCPSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152536033 539817595 /nfs/dbraw/zinc/81/75/95/539817595.db2.gz UQAPLOCMSKVKFP-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152536033 539817599 /nfs/dbraw/zinc/81/75/99/539817599.db2.gz UQAPLOCMSKVKFP-RDJZCZTQSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000562807378 306309815 /nfs/dbraw/zinc/30/98/15/306309815.db2.gz KZYFHHGCTJQGGJ-QAETUUGQSA-N 2 1 338.496 1.541 20 0 EDADMP CC(C)[C@@H](C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000563082906 306318066 /nfs/dbraw/zinc/31/80/66/306318066.db2.gz VMDKXOJNCJIJNX-IEBWSBKVSA-N 2 1 346.519 1.886 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)[C@H](C)C1 ZINC000423858951 291028096 /nfs/dbraw/zinc/02/80/96/291028096.db2.gz FJCBGKRULCMECW-KGLIPLIRSA-N 2 1 333.432 1.416 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)[C@H](C)C1 ZINC000423858951 291028098 /nfs/dbraw/zinc/02/80/98/291028098.db2.gz FJCBGKRULCMECW-KGLIPLIRSA-N 2 1 333.432 1.416 20 0 EDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000647173078 452105925 /nfs/dbraw/zinc/10/59/25/452105925.db2.gz VLQOZKZGLRKXLC-UHFFFAOYSA-N 2 1 326.397 1.158 20 0 EDADMP CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000167075227 540079019 /nfs/dbraw/zinc/07/90/19/540079019.db2.gz MANNMNKWNHFPTB-DLBZAZTESA-N 2 1 345.553 1.995 20 0 EDADMP CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000167075227 540079021 /nfs/dbraw/zinc/07/90/21/540079021.db2.gz MANNMNKWNHFPTB-DLBZAZTESA-N 2 1 345.553 1.995 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000245605942 283125902 /nfs/dbraw/zinc/12/59/02/283125902.db2.gz ABLZCIGZFSSHAK-ZWKOTPCHSA-N 2 1 346.475 1.453 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000245605942 283125903 /nfs/dbraw/zinc/12/59/03/283125903.db2.gz ABLZCIGZFSSHAK-ZWKOTPCHSA-N 2 1 346.475 1.453 20 0 EDADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)C[C@@H](C)C1 ZINC000346171533 291094982 /nfs/dbraw/zinc/09/49/82/291094982.db2.gz WXWFTGPGPWAQJK-JONQDZQNSA-N 2 1 325.522 1.612 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C[C@@H](C)C1 ZINC000346171533 291094983 /nfs/dbraw/zinc/09/49/83/291094983.db2.gz WXWFTGPGPWAQJK-JONQDZQNSA-N 2 1 325.522 1.612 20 0 EDADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C[C@@H](C)C1 ZINC000346171533 291094986 /nfs/dbraw/zinc/09/49/86/291094986.db2.gz WXWFTGPGPWAQJK-JONQDZQNSA-N 2 1 325.522 1.612 20 0 EDADMP C[C@@H](CN1CCOCC1)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000091509997 138284051 /nfs/dbraw/zinc/28/40/51/138284051.db2.gz RXAUYBDCBKDASJ-FHWLQOOXSA-N 2 1 338.540 1.198 20 0 EDADMP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000131851222 138366556 /nfs/dbraw/zinc/36/65/56/138366556.db2.gz BTWFCKAJVQEQJU-JKSUJKDBSA-N 2 1 329.510 1.076 20 0 EDADMP CC(C)(C)[NH2+]CCN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000565292566 306380726 /nfs/dbraw/zinc/38/07/26/306380726.db2.gz FVCKPRUKVRIKFX-UHFFFAOYSA-N 2 1 333.476 1.964 20 0 EDADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114544916 201071023 /nfs/dbraw/zinc/07/10/23/201071023.db2.gz RAWDVNVHJBIPNG-CQSZACIVSA-N 2 1 329.366 1.958 20 0 EDADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114544916 201071026 /nfs/dbraw/zinc/07/10/26/201071026.db2.gz RAWDVNVHJBIPNG-CQSZACIVSA-N 2 1 329.366 1.958 20 0 EDADMP COc1cc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc(OC)c1 ZINC000414710741 304131253 /nfs/dbraw/zinc/13/12/53/304131253.db2.gz SLZQVUCHLMXBPO-AWEZNQCLSA-N 2 1 335.448 1.333 20 0 EDADMP C[C@@H]1C[NH+](CC2CCN(C(=O)CC(F)(F)C[NH3+])CC2)C[C@@H](C)O1 ZINC000566407173 306411775 /nfs/dbraw/zinc/41/17/75/306411775.db2.gz LGDSETDZLDVYMW-CHWSQXEVSA-N 2 1 333.423 1.318 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)C1 ZINC000414712686 304131862 /nfs/dbraw/zinc/13/18/62/304131862.db2.gz NVWMXZVHTLOCOD-PKOBYXMFSA-N 2 1 345.487 1.457 20 0 EDADMP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CC[NH2+]1 ZINC000414757617 304137458 /nfs/dbraw/zinc/13/74/58/304137458.db2.gz LLMDWKINVFVQOG-NBYUQASBSA-N 2 1 329.488 1.960 20 0 EDADMP COc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1OCC(=O)N1CCCC1 ZINC000414777813 304139812 /nfs/dbraw/zinc/13/98/12/304139812.db2.gz OXUVPYZVTFJVAE-UHFFFAOYSA-N 2 1 347.459 1.618 20 0 EDADMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1OCC(=O)N1CCCC1 ZINC000414777813 304139813 /nfs/dbraw/zinc/13/98/13/304139813.db2.gz OXUVPYZVTFJVAE-UHFFFAOYSA-N 2 1 347.459 1.618 20 0 EDADMP CCOc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000414802451 304142682 /nfs/dbraw/zinc/14/26/82/304142682.db2.gz MWKYRFNURSMCKF-CZUORRHYSA-N 2 1 349.475 1.768 20 0 EDADMP C[C@H](CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[N@@H+](C)C1CC1 ZINC000073331813 203264021 /nfs/dbraw/zinc/26/40/21/203264021.db2.gz FRXLNTMCLRCTCS-MRXNPFEDSA-N 2 1 345.491 1.193 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000415048200 304154239 /nfs/dbraw/zinc/15/42/39/304154239.db2.gz WYEJPMOKOOOVKH-ZFWWWQNUSA-N 2 1 332.448 1.334 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1 ZINC000415124825 304161990 /nfs/dbraw/zinc/16/19/90/304161990.db2.gz NJDCHUHKSBIICB-AWEZNQCLSA-N 2 1 332.448 1.287 20 0 EDADMP CCN(C)c1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cn1 ZINC000415123146 304162196 /nfs/dbraw/zinc/16/21/96/304162196.db2.gz JBGBHLMJIOIYEH-INIZCTEOSA-N 2 1 329.452 1.425 20 0 EDADMP O=C1N[C@H]2C[N@H+](Cc3cccc(F)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415133037 304162414 /nfs/dbraw/zinc/16/24/14/304162414.db2.gz BRSZRJCEKKNWCB-DLBZAZTESA-N 2 1 332.423 1.546 20 0 EDADMP O=C1N[C@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415133037 304162416 /nfs/dbraw/zinc/16/24/16/304162416.db2.gz BRSZRJCEKKNWCB-DLBZAZTESA-N 2 1 332.423 1.546 20 0 EDADMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000195162916 139008352 /nfs/dbraw/zinc/00/83/52/139008352.db2.gz BCDOEJHOOOOUKP-OAHLLOKOSA-N 2 1 334.439 1.064 20 0 EDADMP [NH3+]CCNC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415140265 304163581 /nfs/dbraw/zinc/16/35/81/304163581.db2.gz KFZMAMVFTZIKDK-UHFFFAOYSA-N 2 1 331.420 1.054 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@H]1C ZINC000415155312 304166652 /nfs/dbraw/zinc/16/66/52/304166652.db2.gz VYGYLARQELGOIC-OLZOCXBDSA-N 2 1 330.432 1.169 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@H]1C ZINC000415155312 304166654 /nfs/dbraw/zinc/16/66/54/304166654.db2.gz VYGYLARQELGOIC-OLZOCXBDSA-N 2 1 330.432 1.169 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C[C@H]1C ZINC000351169865 296183805 /nfs/dbraw/zinc/18/38/05/296183805.db2.gz RFRCYZFFENDEFZ-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@H]2CCCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237203121 139044168 /nfs/dbraw/zinc/04/41/68/139044168.db2.gz GGTQEYBWUONFNA-RTBURBONSA-N 2 1 344.503 1.624 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@H]2CCCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237203121 139044169 /nfs/dbraw/zinc/04/41/69/139044169.db2.gz GGTQEYBWUONFNA-RTBURBONSA-N 2 1 344.503 1.624 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@H]2CCCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237203121 139044170 /nfs/dbraw/zinc/04/41/70/139044170.db2.gz GGTQEYBWUONFNA-RTBURBONSA-N 2 1 344.503 1.624 20 0 EDADMP COCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000237309463 139047341 /nfs/dbraw/zinc/04/73/41/139047341.db2.gz ROMARKRREBVMCH-INIZCTEOSA-N 2 1 337.439 1.390 20 0 EDADMP C[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCN(C)CC1 ZINC000127461526 205101573 /nfs/dbraw/zinc/10/15/73/205101573.db2.gz AONPGJGXEBZBOH-MSOLQXFVSA-N 2 1 348.535 1.914 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[N@H+]1CCc2ccccc2C1 ZINC000237432516 139050983 /nfs/dbraw/zinc/05/09/83/139050983.db2.gz XENDYRZNSGAXOD-QAPCUYQASA-N 2 1 327.472 1.939 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000237515192 139053125 /nfs/dbraw/zinc/05/31/25/139053125.db2.gz XTSVYDSCNJTZNP-GOEBONIOSA-N 2 1 333.480 1.082 20 0 EDADMP C[C@]1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000237554292 139054027 /nfs/dbraw/zinc/05/40/27/139054027.db2.gz YBHMSHUGDSSWKE-IBGZPJMESA-N 2 1 348.466 1.454 20 0 EDADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000133910657 205384280 /nfs/dbraw/zinc/38/42/80/205384280.db2.gz JZGDIRBIFMTZKZ-AWEZNQCLSA-N 2 1 344.459 1.371 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000133910657 205384285 /nfs/dbraw/zinc/38/42/85/205384285.db2.gz JZGDIRBIFMTZKZ-AWEZNQCLSA-N 2 1 344.459 1.371 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000133910657 205384286 /nfs/dbraw/zinc/38/42/86/205384286.db2.gz JZGDIRBIFMTZKZ-AWEZNQCLSA-N 2 1 344.459 1.371 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000133910657 205384287 /nfs/dbraw/zinc/38/42/87/205384287.db2.gz JZGDIRBIFMTZKZ-AWEZNQCLSA-N 2 1 344.459 1.371 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2COCCN2)C1 ZINC000237671961 139057633 /nfs/dbraw/zinc/05/76/33/139057633.db2.gz CGLFGJWJVYHHGK-YJBOKZPZSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237671961 139057634 /nfs/dbraw/zinc/05/76/34/139057634.db2.gz CGLFGJWJVYHHGK-YJBOKZPZSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237671961 139057635 /nfs/dbraw/zinc/05/76/35/139057635.db2.gz CGLFGJWJVYHHGK-YJBOKZPZSA-N 2 1 331.460 1.523 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000111661348 220177403 /nfs/dbraw/zinc/17/74/03/220177403.db2.gz GDJKYTDFQAGCTF-IBGZPJMESA-N 2 1 346.519 1.775 20 0 EDADMP O=C(C[NH2+]C[C@H]1CCCO1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000237928866 139064027 /nfs/dbraw/zinc/06/40/27/139064027.db2.gz KVVNRDSVPFFXEP-GOSISDBHSA-N 2 1 331.460 1.320 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000238056340 139067782 /nfs/dbraw/zinc/06/77/82/139067782.db2.gz AHFHMLWXQHACHF-IAGOWNOFSA-N 2 1 333.501 1.862 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000111866158 220214965 /nfs/dbraw/zinc/21/49/65/220214965.db2.gz QFLJQQARJCOYCK-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415239421 304177738 /nfs/dbraw/zinc/17/77/38/304177738.db2.gz OFMCPUBUMNKWEA-ZDUSSCGKSA-N 2 1 332.448 1.465 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000415245515 304178033 /nfs/dbraw/zinc/17/80/33/304178033.db2.gz PECXEGWMBQSAAL-IBGZPJMESA-N 2 1 344.459 1.289 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000415262453 304180703 /nfs/dbraw/zinc/18/07/03/304180703.db2.gz BELAQGQBJDXHKG-OAHLLOKOSA-N 2 1 346.475 1.583 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000245767217 139085760 /nfs/dbraw/zinc/08/57/60/139085760.db2.gz QZGHLOABWREZOV-WMZOPIPTSA-N 2 1 346.523 1.391 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000245767217 139085761 /nfs/dbraw/zinc/08/57/61/139085761.db2.gz QZGHLOABWREZOV-WMZOPIPTSA-N 2 1 346.523 1.391 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000246327462 139104204 /nfs/dbraw/zinc/10/42/04/139104204.db2.gz FWXIKJORGQLGOV-AAEUAGOBSA-N 2 1 331.507 1.407 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000246327462 139104205 /nfs/dbraw/zinc/10/42/05/139104205.db2.gz FWXIKJORGQLGOV-AAEUAGOBSA-N 2 1 331.507 1.407 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC2(C)C)cc1 ZINC000415294040 304187970 /nfs/dbraw/zinc/18/79/70/304187970.db2.gz KAPJSSVNBFZHPE-UHFFFAOYSA-N 2 1 332.448 1.335 20 0 EDADMP C[C@@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)CCN1Cc1ccccc1 ZINC000246732853 139119354 /nfs/dbraw/zinc/11/93/54/139119354.db2.gz NGENJAYFEFVANO-UYAOXDASSA-N 2 1 347.503 1.276 20 0 EDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)CCN1Cc1ccccc1 ZINC000246732853 139119355 /nfs/dbraw/zinc/11/93/55/139119355.db2.gz NGENJAYFEFVANO-UYAOXDASSA-N 2 1 347.503 1.276 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)C1 ZINC000415348764 304200030 /nfs/dbraw/zinc/20/00/30/304200030.db2.gz BQDUMBPCUNTPLO-ZBFHGGJFSA-N 2 1 344.459 1.417 20 0 EDADMP C[C@@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415370782 304206640 /nfs/dbraw/zinc/20/66/40/304206640.db2.gz FHYQMYLTNGHDKQ-HUUCEWRRSA-N 2 1 346.475 1.711 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000247251194 139142390 /nfs/dbraw/zinc/14/23/90/139142390.db2.gz ZSUQGHCUYOFRKC-IXYNUQLISA-N 2 1 336.432 1.473 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3C(N)=O)CC[C@H]21 ZINC000247273409 139143147 /nfs/dbraw/zinc/14/31/47/139143147.db2.gz SJNUDQWHQNFHKW-CZUORRHYSA-N 2 1 330.432 1.140 20 0 EDADMP CC[C@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)[NH+](C)C ZINC000248061037 139157731 /nfs/dbraw/zinc/15/77/31/139157731.db2.gz YJOKBSLLFLOJLV-MAUKXSAKSA-N 2 1 333.476 1.864 20 0 EDADMP CC[C@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)[NH+](C)C ZINC000248061037 139157732 /nfs/dbraw/zinc/15/77/32/139157732.db2.gz YJOKBSLLFLOJLV-MAUKXSAKSA-N 2 1 333.476 1.864 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C[C@H]1CCC[C@H]1O)c1ccccc1 ZINC000249378594 139192021 /nfs/dbraw/zinc/19/20/21/139192021.db2.gz ZEEFXTRYFFPNNX-KZNAEPCWSA-N 2 1 333.476 1.498 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000249753017 139198173 /nfs/dbraw/zinc/19/81/73/139198173.db2.gz BUDJXFMJGKOOTA-IRXDYDNUSA-N 2 1 340.512 1.518 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)c1ccccc1Cl ZINC000261605554 139210150 /nfs/dbraw/zinc/21/01/50/139210150.db2.gz AMTAECQJTGRBCV-HZPDHXFCSA-N 2 1 339.867 1.813 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000261613963 139211047 /nfs/dbraw/zinc/21/10/47/139211047.db2.gz BOCWOFGZJSXNKB-ZTFGCOKTSA-N 2 1 331.460 1.520 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000261614310 139211260 /nfs/dbraw/zinc/21/12/60/139211260.db2.gz FELSSTDVYQLIBC-HNNXBMFYSA-N 2 1 328.416 1.629 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261671627 139216083 /nfs/dbraw/zinc/21/60/83/139216083.db2.gz GGRRAPLUUPGOTJ-VQIMIIECSA-N 2 1 330.476 1.394 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261671627 139216084 /nfs/dbraw/zinc/21/60/84/139216084.db2.gz GGRRAPLUUPGOTJ-VQIMIIECSA-N 2 1 330.476 1.394 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1)[NH+]1CCOCC1 ZINC000261776352 139225094 /nfs/dbraw/zinc/22/50/94/139225094.db2.gz MSORUWOBUJIUJT-XYPHTWIQSA-N 2 1 333.432 1.525 20 0 EDADMP CC(C)n1nccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261787888 139225924 /nfs/dbraw/zinc/22/59/24/139225924.db2.gz FZYJCJAYHHCYGP-DOTOQJQBSA-N 2 1 333.480 1.544 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000261770239 139224572 /nfs/dbraw/zinc/22/45/72/139224572.db2.gz DPCZQURFDBIXRD-INIZCTEOSA-N 2 1 333.480 1.416 20 0 EDADMP CC[N@@H+](C)CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261851952 139231509 /nfs/dbraw/zinc/23/15/09/139231509.db2.gz VXLXXUFAOVMPGE-AWEZNQCLSA-N 2 1 328.254 1.691 20 0 EDADMP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cn1 ZINC000261938488 139238636 /nfs/dbraw/zinc/23/86/36/139238636.db2.gz MOVUFPNYLXSAOL-HPBDAGMYSA-N 2 1 333.480 1.136 20 0 EDADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261970315 139240870 /nfs/dbraw/zinc/24/08/70/139240870.db2.gz QMBCDJONWSRXGE-ILOCAZANSA-N 2 1 337.508 1.817 20 0 EDADMP CCOc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1OC ZINC000262042172 139246224 /nfs/dbraw/zinc/24/62/24/139246224.db2.gz PHJPOCNXBIWVDJ-INIZCTEOSA-N 2 1 349.475 1.913 20 0 EDADMP O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262027516 139244855 /nfs/dbraw/zinc/24/48/55/139244855.db2.gz XDYRFVQXUADTRV-KSZLIROESA-N 2 1 347.459 1.631 20 0 EDADMP C[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000262109372 139251508 /nfs/dbraw/zinc/25/15/08/139251508.db2.gz FHEUTJKVSHMXLX-CVEARBPZSA-N 2 1 333.480 1.198 20 0 EDADMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)ccc1OCc1ccccc1 ZINC000262171550 139257142 /nfs/dbraw/zinc/25/71/42/139257142.db2.gz VGLVQVVTQDQTCO-QZTJIDSGSA-N 2 1 342.439 1.944 20 0 EDADMP O=C(CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1)N1CC[NH2+]CC1 ZINC000262229350 139261968 /nfs/dbraw/zinc/26/19/68/139261968.db2.gz VEMQRHBRRBPQPP-ZWKOTPCHSA-N 2 1 331.460 1.396 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)C(F)F ZINC000417007819 251129087 /nfs/dbraw/zinc/12/90/87/251129087.db2.gz LFIOODBBKZUXKQ-CQSZACIVSA-N 2 1 326.391 1.326 20 0 EDADMP CN1CCN(Cc2cccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000262317023 139269368 /nfs/dbraw/zinc/26/93/68/139269368.db2.gz UTZWDHJWRAZTFH-SJORKVTESA-N 2 1 330.476 1.890 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417000009 251124396 /nfs/dbraw/zinc/12/43/96/251124396.db2.gz CTPQPUFSANLBNU-FQEVSTJZSA-N 2 1 342.487 1.830 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH2+]C)c1cnn(C)c1)c1ccsc1 ZINC000262329250 139270669 /nfs/dbraw/zinc/27/06/69/139270669.db2.gz GMKXENKGAALEFI-HOTGVXAUSA-N 2 1 349.504 1.941 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CC[NH2+]C[C@](C)(F)C1)c1ccc(F)cc1 ZINC000417171476 251144640 /nfs/dbraw/zinc/14/46/40/251144640.db2.gz JRUMRCZXESIIPJ-WBVHZDCISA-N 2 1 340.418 1.771 20 0 EDADMP Cc1ccc([C@H](CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)[NH+](C)C)cc1 ZINC000417317178 251155675 /nfs/dbraw/zinc/15/56/75/251155675.db2.gz VYALTEJAKXUTCS-FUHWJXTLSA-N 2 1 336.455 1.941 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)CC2)[nH+]1 ZINC000417688879 251229306 /nfs/dbraw/zinc/22/93/06/251229306.db2.gz FMEXUNSXCVFXRH-CZUORRHYSA-N 2 1 331.464 1.738 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC(C)(C)[NH3+] ZINC000417723801 251243183 /nfs/dbraw/zinc/24/31/83/251243183.db2.gz CMCGLRIBTVSOFM-HNNXBMFYSA-N 2 1 333.480 1.234 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000417754925 251256207 /nfs/dbraw/zinc/25/62/07/251256207.db2.gz QJSCRQTVFJUKGD-CVEARBPZSA-N 2 1 327.517 1.077 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N(CC[NH3+])Cc2ccccc2)n1C ZINC000417831535 251287892 /nfs/dbraw/zinc/28/78/92/251287892.db2.gz CFRGKVMZTYFISK-UHFFFAOYSA-N 2 1 330.436 1.157 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000417833712 251290144 /nfs/dbraw/zinc/29/01/44/251290144.db2.gz UMOQJMHGRSOVTG-JKSUJKDBSA-N 2 1 334.439 1.508 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417806230 251276897 /nfs/dbraw/zinc/27/68/97/251276897.db2.gz AQZXTUXQVZRXRY-IAGOWNOFSA-N 2 1 340.512 1.646 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)C[N@H+]1Cc1ccccc1 ZINC000417886785 251314556 /nfs/dbraw/zinc/31/45/56/251314556.db2.gz ZFPIYKMVNOGPFU-SNPRPXQTSA-N 2 1 340.418 1.931 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000417992123 251319767 /nfs/dbraw/zinc/31/97/67/251319767.db2.gz LURFNMRSYBZANL-ZTFGCOKTSA-N 2 1 346.475 1.050 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418108470 251324871 /nfs/dbraw/zinc/32/48/71/251324871.db2.gz RMBSZDLMXGKUQT-WMZOPIPTSA-N 2 1 330.476 1.807 20 0 EDADMP [NH3+]CCCOC1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000418109377 251325348 /nfs/dbraw/zinc/32/53/48/251325348.db2.gz CMYJGRMSIWUJRE-MRXNPFEDSA-N 2 1 338.496 1.543 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@H]1CCC[NH2+]C1 ZINC000262521353 139283958 /nfs/dbraw/zinc/28/39/58/139283958.db2.gz ZXSIVGBGTHABKO-ROUUACIJSA-N 2 1 331.460 1.393 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@H]1CCC[NH2+]C1 ZINC000262521353 139283959 /nfs/dbraw/zinc/28/39/59/139283959.db2.gz ZXSIVGBGTHABKO-ROUUACIJSA-N 2 1 331.460 1.393 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000417855778 251299165 /nfs/dbraw/zinc/29/91/65/251299165.db2.gz LQTBRRSHYRNMNV-DYVFJYSZSA-N 2 1 343.431 1.611 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418422491 251367057 /nfs/dbraw/zinc/36/70/57/251367057.db2.gz ISUQMHGHLKYMSQ-HOTGVXAUSA-N 2 1 340.512 1.504 20 0 EDADMP C[NH2+]CCC1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000418165026 251351120 /nfs/dbraw/zinc/35/11/20/251351120.db2.gz IHDJUYPGOZRNKY-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418719831 251396288 /nfs/dbraw/zinc/39/62/88/251396288.db2.gz LEDVQIMZTJIXIR-HZPDHXFCSA-N 2 1 339.528 1.171 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418719831 251396292 /nfs/dbraw/zinc/39/62/92/251396292.db2.gz LEDVQIMZTJIXIR-HZPDHXFCSA-N 2 1 339.528 1.171 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262568842 139287253 /nfs/dbraw/zinc/28/72/53/139287253.db2.gz FXHNOPFXZWXBMA-BZSNNMDCSA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262568842 139287254 /nfs/dbraw/zinc/28/72/54/139287254.db2.gz FXHNOPFXZWXBMA-BZSNNMDCSA-N 2 1 331.460 1.521 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H]1Cc1ccccc1 ZINC000418532136 251377660 /nfs/dbraw/zinc/37/76/60/251377660.db2.gz BXTMQZCWSREHMZ-QUCCMNQESA-N 2 1 344.503 1.944 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H]1Cc1ccccc1 ZINC000418532136 251377661 /nfs/dbraw/zinc/37/76/61/251377661.db2.gz BXTMQZCWSREHMZ-QUCCMNQESA-N 2 1 344.503 1.944 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000418688291 251386255 /nfs/dbraw/zinc/38/62/55/251386255.db2.gz MYBWHLOHOYYUAI-NJAFHUGGSA-N 2 1 348.491 1.296 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000262616143 139290416 /nfs/dbraw/zinc/29/04/16/139290416.db2.gz CWRPMOJIWLIYGL-HZPDHXFCSA-N 2 1 330.432 1.217 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000262616143 139290417 /nfs/dbraw/zinc/29/04/17/139290417.db2.gz CWRPMOJIWLIYGL-HZPDHXFCSA-N 2 1 330.432 1.217 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[NH2+]CC2CC2)c1 ZINC000262627570 139291342 /nfs/dbraw/zinc/29/13/42/139291342.db2.gz GFKIWVQBIIQKAU-INIZCTEOSA-N 2 1 330.432 1.074 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[NH2+]CC2CC2)c1 ZINC000262627570 139291343 /nfs/dbraw/zinc/29/13/43/139291343.db2.gz GFKIWVQBIIQKAU-INIZCTEOSA-N 2 1 330.432 1.074 20 0 EDADMP COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420356846 251698775 /nfs/dbraw/zinc/69/87/75/251698775.db2.gz GUXOYXQSMBZLIK-HNNXBMFYSA-N 2 1 339.867 1.943 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262854026 139308270 /nfs/dbraw/zinc/30/82/70/139308270.db2.gz VRGGJPUIFBRGTQ-OWCLPIDISA-N 2 1 333.480 1.658 20 0 EDADMP Cc1ccc(NCCCNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)[nH+]c1 ZINC000262875175 139309717 /nfs/dbraw/zinc/30/97/17/139309717.db2.gz YDOCHCUOCPCJAE-HNNXBMFYSA-N 2 1 342.447 1.743 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)N[C@H](C[NH3+])C2CCCC2)c2ccccc2)CC1 ZINC000423959928 252108316 /nfs/dbraw/zinc/10/83/16/252108316.db2.gz NCGWLNSIZWMMRO-RTBURBONSA-N 2 1 344.503 1.609 20 0 EDADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424024315 252117026 /nfs/dbraw/zinc/11/70/26/252117026.db2.gz XDFCMZYCKHTDIQ-AEFFLSMTSA-N 2 1 344.503 1.484 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424143887 252141781 /nfs/dbraw/zinc/14/17/81/252141781.db2.gz GTOQAYDZASECCP-HOTGVXAUSA-N 2 1 347.507 1.737 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424145058 252143168 /nfs/dbraw/zinc/14/31/68/252143168.db2.gz MORDUIZOPFDUFI-CQSZACIVSA-N 2 1 330.436 1.592 20 0 EDADMP CN(C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000424154770 252146626 /nfs/dbraw/zinc/14/66/26/252146626.db2.gz LXLRPAWBRGQDSF-HIFRSBDPSA-N 2 1 331.464 1.196 20 0 EDADMP Cn1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c([C@H]2CCC[NH2+]C2)n1 ZINC000424132967 252135509 /nfs/dbraw/zinc/13/55/09/252135509.db2.gz LNGQWROAQDFFHA-NUEKZKHPSA-N 2 1 331.464 1.244 20 0 EDADMP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000424277981 252188470 /nfs/dbraw/zinc/18/84/70/252188470.db2.gz HNCOAJUKZJCKRY-IUPXNIOVSA-N 2 1 332.444 1.685 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000424472333 252243980 /nfs/dbraw/zinc/24/39/80/252243980.db2.gz UWKKIAFTYUOZGO-CQSZACIVSA-N 2 1 332.448 1.192 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)c2C1 ZINC000415621408 304240859 /nfs/dbraw/zinc/24/08/59/304240859.db2.gz JXTLSVOEBIREPT-GUYCJALGSA-N 2 1 344.459 1.465 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)c2C1 ZINC000415621408 304240861 /nfs/dbraw/zinc/24/08/61/304240861.db2.gz JXTLSVOEBIREPT-GUYCJALGSA-N 2 1 344.459 1.465 20 0 EDADMP CC[NH+]1CCCN(c2cc(N3CCC[N@H+](CC)CC3)ncn2)CC1 ZINC000157723293 285227176 /nfs/dbraw/zinc/22/71/76/285227176.db2.gz GBLLVMYFAMROHP-UHFFFAOYSA-N 2 1 332.496 1.541 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000459806227 255003636 /nfs/dbraw/zinc/00/36/36/255003636.db2.gz MJMHGDLPJNVSOU-CQSZACIVSA-N 2 1 341.496 1.497 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CSC[C@@H]1C ZINC000357763391 285246043 /nfs/dbraw/zinc/24/60/43/285246043.db2.gz RNNDHBOIIZBDJT-XHSDSOJGSA-N 2 1 342.553 1.795 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)C ZINC000355386461 285251005 /nfs/dbraw/zinc/25/10/05/285251005.db2.gz QWPPGYHUDXGEIR-OAHLLOKOSA-N 2 1 333.542 1.710 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)C ZINC000355386461 285251006 /nfs/dbraw/zinc/25/10/06/285251006.db2.gz QWPPGYHUDXGEIR-OAHLLOKOSA-N 2 1 333.542 1.710 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415799232 304273991 /nfs/dbraw/zinc/27/39/91/304273991.db2.gz DAUNGVYRQNVBOK-KFWWJZLASA-N 2 1 346.475 1.709 20 0 EDADMP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC000106804708 285337449 /nfs/dbraw/zinc/33/74/49/285337449.db2.gz FXYMQCIFAUTEHX-RBUKOAKNSA-N 2 1 344.503 1.528 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C2CC2)CC1 ZINC000264265869 139391593 /nfs/dbraw/zinc/39/15/93/139391593.db2.gz NXBUSAOCKQIPBN-QGZVFWFLSA-N 2 1 328.460 1.751 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C2CC2)CC1 ZINC000264265869 139391594 /nfs/dbraw/zinc/39/15/94/139391594.db2.gz NXBUSAOCKQIPBN-QGZVFWFLSA-N 2 1 328.460 1.751 20 0 EDADMP C[NH+]1CCN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000264336768 139398347 /nfs/dbraw/zinc/39/83/47/139398347.db2.gz YRCKPAYIFQXXHK-UHFFFAOYSA-N 2 1 346.475 1.100 20 0 EDADMP C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246124475 533364855 /nfs/dbraw/zinc/36/48/55/533364855.db2.gz AOOKGYUSMKNJIX-PMACEKPBSA-N 3 1 334.552 1.822 20 0 EDADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246124475 533364863 /nfs/dbraw/zinc/36/48/63/533364863.db2.gz AOOKGYUSMKNJIX-PMACEKPBSA-N 3 1 334.552 1.822 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000415928142 304285827 /nfs/dbraw/zinc/28/58/27/304285827.db2.gz FIKIGSGZTUJZRY-MRXNPFEDSA-N 2 1 334.464 1.764 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000270561029 140123876 /nfs/dbraw/zinc/12/38/76/140123876.db2.gz SXOXFTLNQKFXJY-DLBZAZTESA-N 2 1 346.475 1.188 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000271182467 140252582 /nfs/dbraw/zinc/25/25/82/140252582.db2.gz YXSULFSFILWBEX-INIZCTEOSA-N 2 1 333.476 1.723 20 0 EDADMP O=C(CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)NC1CC1 ZINC000271327415 140278910 /nfs/dbraw/zinc/27/89/10/140278910.db2.gz YJERXQJSNFBDOJ-IBGZPJMESA-N 2 1 342.487 1.157 20 0 EDADMP Cn1ccnc1[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000332999151 141248729 /nfs/dbraw/zinc/24/87/29/141248729.db2.gz ANXZEXIHOAURGL-HOCLYGCPSA-N 2 1 331.464 1.936 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000333123092 141267603 /nfs/dbraw/zinc/26/76/03/141267603.db2.gz ASXIWLVROQENRL-ZNMIVQPWSA-N 2 1 326.485 1.173 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000333123092 141267605 /nfs/dbraw/zinc/26/76/05/141267605.db2.gz ASXIWLVROQENRL-ZNMIVQPWSA-N 2 1 326.485 1.173 20 0 EDADMP Cc1cc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cn2cc[nH+]c12 ZINC000333361849 141305657 /nfs/dbraw/zinc/30/56/57/141305657.db2.gz SXOGDCDXABKZAH-HNNXBMFYSA-N 2 1 328.420 1.154 20 0 EDADMP C[C@H]1CC2(C[N@H+]1CC(=O)N1CC(=O)Nc3ccccc31)CC[NH2+]CC2 ZINC000333608617 141344280 /nfs/dbraw/zinc/34/42/80/141344280.db2.gz RPJJSQPVDWSNJQ-AWEZNQCLSA-N 2 1 342.443 1.436 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333774998 141378953 /nfs/dbraw/zinc/37/89/53/141378953.db2.gz CRYZQNFVSFPFDA-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000339619927 142097180 /nfs/dbraw/zinc/09/71/80/142097180.db2.gz JULXXDAJJQXCIM-OAHLLOKOSA-N 2 1 340.512 1.214 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@](CO)(C(C)C)C2)CC1 ZINC000339712608 142129988 /nfs/dbraw/zinc/12/99/88/142129988.db2.gz XAQOGJAADMLNSN-LJQANCHMSA-N 2 1 339.524 1.706 20 0 EDADMP CC[N@H+](CCNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)C1CC1 ZINC000340037007 142243552 /nfs/dbraw/zinc/24/35/52/142243552.db2.gz FJFINJZKNHZYNN-UHFFFAOYSA-N 2 1 329.404 1.182 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)C1CC1 ZINC000340037007 142243553 /nfs/dbraw/zinc/24/35/53/142243553.db2.gz FJFINJZKNHZYNN-UHFFFAOYSA-N 2 1 329.404 1.182 20 0 EDADMP CC[N@@H+](CCNC(=O)NCCN1CCC([NH+](C)C)CC1)C(C)C ZINC000340256284 142321566 /nfs/dbraw/zinc/32/15/66/142321566.db2.gz RJVSEHBIGCQSMP-UHFFFAOYSA-N 2 1 327.517 1.042 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCC[N@H+]1C ZINC000345755385 143129402 /nfs/dbraw/zinc/12/94/02/143129402.db2.gz RYHXOSIWCCQREY-SJORKVTESA-N 3 1 341.544 1.384 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000346005473 143156419 /nfs/dbraw/zinc/15/64/19/143156419.db2.gz ZVVTXKJWHOEQCB-UHFFFAOYSA-N 2 1 347.507 1.376 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000346252648 143183796 /nfs/dbraw/zinc/18/37/96/143183796.db2.gz LPPKIDAYVWDXBH-ZACQAIPSSA-N 2 1 339.524 1.968 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000346344307 143194211 /nfs/dbraw/zinc/19/42/11/143194211.db2.gz DASOVIVZNLCQRM-HZPDHXFCSA-N 2 1 339.528 1.137 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC000346344307 143194213 /nfs/dbraw/zinc/19/42/13/143194213.db2.gz DASOVIVZNLCQRM-HZPDHXFCSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000346933207 143263140 /nfs/dbraw/zinc/26/31/40/143263140.db2.gz DCIJJDIEHINBKE-IYBDPMFKSA-N 2 1 325.497 1.724 20 0 EDADMP CC[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000346947943 143265127 /nfs/dbraw/zinc/26/51/27/143265127.db2.gz FAHMTQJPZBEYMI-FUHWJXTLSA-N 2 1 337.508 1.676 20 0 EDADMP CCOCc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1OC ZINC000347061099 143277555 /nfs/dbraw/zinc/27/75/55/143277555.db2.gz YLEKQRWANHTGEH-INIZCTEOSA-N 2 1 349.475 1.519 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347093362 143281927 /nfs/dbraw/zinc/28/19/27/143281927.db2.gz GVXGIJONSFNNOQ-SJPCQFCGSA-N 2 1 331.460 1.868 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347093362 143281928 /nfs/dbraw/zinc/28/19/28/143281928.db2.gz GVXGIJONSFNNOQ-SJPCQFCGSA-N 2 1 331.460 1.868 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1)N1CC[NH2+]CC1 ZINC000347100520 143282757 /nfs/dbraw/zinc/28/27/57/143282757.db2.gz LFFSLAAPCDPNNX-MRXNPFEDSA-N 2 1 345.443 1.102 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000347183430 143292192 /nfs/dbraw/zinc/29/21/92/143292192.db2.gz XAJDEZKIQUFXSH-HNNXBMFYSA-N 2 1 333.432 1.135 20 0 EDADMP Cc1cnn(CCCCC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000348001084 143389723 /nfs/dbraw/zinc/38/97/23/143389723.db2.gz WFTWPJVDHAJYOE-UHFFFAOYSA-N 2 1 347.507 1.602 20 0 EDADMP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000572631819 306596028 /nfs/dbraw/zinc/59/60/28/306596028.db2.gz IMMDNHZOFFDIJZ-HNNXBMFYSA-N 2 1 333.388 1.008 20 0 EDADMP [NH3+]CCCN(Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000416798351 304349467 /nfs/dbraw/zinc/34/94/67/304349467.db2.gz OJABJZGRBFZMQV-UHFFFAOYSA-N 2 1 334.464 1.269 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)C[C@H]2C)[C@@H](C)C1 ZINC000362836808 286061470 /nfs/dbraw/zinc/06/14/70/286061470.db2.gz JUOPXFAMMOISEV-TWMKSMIVSA-N 2 1 325.497 1.437 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)[C@@H](C)C1 ZINC000362836808 286061472 /nfs/dbraw/zinc/06/14/72/286061472.db2.gz JUOPXFAMMOISEV-TWMKSMIVSA-N 2 1 325.497 1.437 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)[C@@H](C)C1 ZINC000362836808 286061473 /nfs/dbraw/zinc/06/14/73/286061473.db2.gz JUOPXFAMMOISEV-TWMKSMIVSA-N 2 1 325.497 1.437 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC000416892919 304353516 /nfs/dbraw/zinc/35/35/16/304353516.db2.gz ZWBRDHGXHNWIOM-PBHICJAKSA-N 2 1 332.448 1.007 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000352814579 149177251 /nfs/dbraw/zinc/17/72/51/149177251.db2.gz IVKPYIZQROYHEU-AEFFLSMTSA-N 2 1 347.528 1.980 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000352929615 149218885 /nfs/dbraw/zinc/21/88/85/149218885.db2.gz HORDLRPMDCOVRC-DLBZAZTESA-N 2 1 340.512 1.349 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000352929615 149218889 /nfs/dbraw/zinc/21/88/89/149218889.db2.gz HORDLRPMDCOVRC-DLBZAZTESA-N 2 1 340.512 1.349 20 0 EDADMP CC(C)COC[C@H](O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000354899429 150019504 /nfs/dbraw/zinc/01/95/04/150019504.db2.gz AQLNFPIMFIMMCB-CEXWTWQISA-N 2 1 341.540 1.510 20 0 EDADMP CC(C)COC[C@H](O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000354899429 150019505 /nfs/dbraw/zinc/01/95/05/150019505.db2.gz AQLNFPIMFIMMCB-CEXWTWQISA-N 2 1 341.540 1.510 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000355581758 150324089 /nfs/dbraw/zinc/32/40/89/150324089.db2.gz ZWCMVNBUVVQOCS-HKUYNNGSSA-N 2 1 342.487 1.328 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000355581758 150324091 /nfs/dbraw/zinc/32/40/91/150324091.db2.gz ZWCMVNBUVVQOCS-HKUYNNGSSA-N 2 1 342.487 1.328 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417030997 304363012 /nfs/dbraw/zinc/36/30/12/304363012.db2.gz PXPYWTDNWOEZLA-YJBOKZPZSA-N 2 1 330.476 1.861 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000356322109 150596239 /nfs/dbraw/zinc/59/62/39/150596239.db2.gz OBJHWCGRMVAUEK-UHFFFAOYSA-N 2 1 332.452 1.684 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000356322109 150596242 /nfs/dbraw/zinc/59/62/42/150596242.db2.gz OBJHWCGRMVAUEK-UHFFFAOYSA-N 2 1 332.452 1.684 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417048686 304366663 /nfs/dbraw/zinc/36/66/63/304366663.db2.gz XBKPPRMCLRZYNF-SOLBZPMBSA-N 2 1 345.491 1.186 20 0 EDADMP CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357081137 150916760 /nfs/dbraw/zinc/91/67/60/150916760.db2.gz MYQZAIVFLACZJO-MRXNPFEDSA-N 2 1 344.459 1.905 20 0 EDADMP C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1=CC[N@@H+](C)CC1 ZINC000357917705 151195377 /nfs/dbraw/zinc/19/53/77/151195377.db2.gz JYVWAJRUHPOFQJ-OAHLLOKOSA-N 2 1 343.475 1.214 20 0 EDADMP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000357926917 151199048 /nfs/dbraw/zinc/19/90/48/151199048.db2.gz KPIMINGKLWANIO-HBFSDRIKSA-N 2 1 343.471 1.224 20 0 EDADMP CSC1(CNC(=O)NCCn2cc[nH+]c2C)CC[NH+](C)CC1 ZINC000358002570 151230775 /nfs/dbraw/zinc/23/07/75/151230775.db2.gz MDYSDSITMZKKLF-UHFFFAOYSA-N 2 1 325.482 1.318 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)CCN1CCOCC1)c1ccccc1 ZINC000358034053 151241819 /nfs/dbraw/zinc/24/18/19/151241819.db2.gz YHQBOFXVMKQXHD-AEFFLSMTSA-N 2 1 333.476 1.906 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000358128787 151281789 /nfs/dbraw/zinc/28/17/89/151281789.db2.gz CRMDOTKAGZVYOI-INIZCTEOSA-N 2 1 340.512 1.469 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358183835 151297519 /nfs/dbraw/zinc/29/75/19/151297519.db2.gz FTELVTWFXRIMGK-IRXDYDNUSA-N 2 1 338.496 1.437 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000358254776 151318310 /nfs/dbraw/zinc/31/83/10/151318310.db2.gz QDJGWJCXJWLPKK-RAFMOHDBSA-N 3 1 329.488 1.838 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000358254776 151318312 /nfs/dbraw/zinc/31/83/12/151318312.db2.gz QDJGWJCXJWLPKK-RAFMOHDBSA-N 3 1 329.488 1.838 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000358254776 151318314 /nfs/dbraw/zinc/31/83/14/151318314.db2.gz QDJGWJCXJWLPKK-RAFMOHDBSA-N 3 1 329.488 1.838 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000358313848 151334465 /nfs/dbraw/zinc/33/44/65/151334465.db2.gz NWWMRCMQNPGGOO-QGZVFWFLSA-N 2 1 338.496 1.367 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000358433781 151374354 /nfs/dbraw/zinc/37/43/54/151374354.db2.gz IINSHJBDISEBTB-HOTGVXAUSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000358433781 151374356 /nfs/dbraw/zinc/37/43/56/151374356.db2.gz IINSHJBDISEBTB-HOTGVXAUSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000358433781 151374358 /nfs/dbraw/zinc/37/43/58/151374358.db2.gz IINSHJBDISEBTB-HOTGVXAUSA-N 2 1 342.528 1.593 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@@H]1C ZINC000358449365 151380298 /nfs/dbraw/zinc/38/02/98/151380298.db2.gz MJXOIUUJSOUTMK-GJZGRUSLSA-N 2 1 334.464 1.577 20 0 EDADMP O=c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nc2ccc(Cl)cn12 ZINC000358498492 151396124 /nfs/dbraw/zinc/39/61/24/151396124.db2.gz CKRDOUGOCPMMPL-UHFFFAOYSA-N 2 1 332.835 1.923 20 0 EDADMP CCNC(=O)CC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358871392 151527537 /nfs/dbraw/zinc/52/75/37/151527537.db2.gz JUUWPHMKACIRHM-HZPDHXFCSA-N 2 1 341.496 1.103 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000417111253 304373165 /nfs/dbraw/zinc/37/31/65/304373165.db2.gz LPOUEFWTVMNWJO-VNHYZAJKSA-N 2 1 336.505 1.921 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000417111253 304373167 /nfs/dbraw/zinc/37/31/67/304373167.db2.gz LPOUEFWTVMNWJO-VNHYZAJKSA-N 2 1 336.505 1.921 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417119603 304374322 /nfs/dbraw/zinc/37/43/22/304374322.db2.gz XIMRSUSFCCJQIC-SOUVJXGZSA-N 2 1 334.464 1.442 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417119603 304374324 /nfs/dbraw/zinc/37/43/24/304374324.db2.gz XIMRSUSFCCJQIC-SOUVJXGZSA-N 2 1 334.464 1.442 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)[N@H+]1CCc2sccc2C1 ZINC000417121830 304374705 /nfs/dbraw/zinc/37/47/05/304374705.db2.gz XGEIPUAZHMYRFK-ZDUSSCGKSA-N 2 1 336.505 1.888 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360756981 152189127 /nfs/dbraw/zinc/18/91/27/152189127.db2.gz WRKQAERYWMUENN-GOEBONIOSA-N 2 1 328.526 1.405 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417151243 304378535 /nfs/dbraw/zinc/37/85/35/304378535.db2.gz HLLLRQVOWMEXHT-DLBZAZTESA-N 2 1 327.432 1.636 20 0 EDADMP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363588284 153006929 /nfs/dbraw/zinc/00/69/29/153006929.db2.gz FWTXBCADKIBULR-HKUYNNGSSA-N 2 1 335.467 1.879 20 0 EDADMP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363588284 153006933 /nfs/dbraw/zinc/00/69/33/153006933.db2.gz FWTXBCADKIBULR-HKUYNNGSSA-N 2 1 335.467 1.879 20 0 EDADMP CCOC(=O)[C@@H](CC(C)C)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363723682 153039034 /nfs/dbraw/zinc/03/90/34/153039034.db2.gz WXRARUGPYAWGLW-IAGOWNOFSA-N 2 1 325.497 1.676 20 0 EDADMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000364661136 153297321 /nfs/dbraw/zinc/29/73/21/153297321.db2.gz JCNGTECZCKUIKQ-OWCLPIDISA-N 2 1 333.480 1.816 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000364661136 153297323 /nfs/dbraw/zinc/29/73/23/153297323.db2.gz JCNGTECZCKUIKQ-OWCLPIDISA-N 2 1 333.480 1.816 20 0 EDADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3n[nH]c(=O)s3)CC2)CC1 ZINC000367072991 154000194 /nfs/dbraw/zinc/00/01/94/154000194.db2.gz IHHXWHCGCUORIT-UHFFFAOYSA-N 2 1 325.482 1.093 20 0 EDADMP CCSCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367108304 154011138 /nfs/dbraw/zinc/01/11/38/154011138.db2.gz UAGIJFCVXLTYMT-INIZCTEOSA-N 2 1 342.553 1.940 20 0 EDADMP CN1CCO[C@H](C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000367201064 154039703 /nfs/dbraw/zinc/03/97/03/154039703.db2.gz QYDDWHIHRSSEFC-HKUYNNGSSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000367201064 154039705 /nfs/dbraw/zinc/03/97/05/154039705.db2.gz QYDDWHIHRSSEFC-HKUYNNGSSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000367201064 154039706 /nfs/dbraw/zinc/03/97/06/154039706.db2.gz QYDDWHIHRSSEFC-HKUYNNGSSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000367201064 154039707 /nfs/dbraw/zinc/03/97/07/154039707.db2.gz QYDDWHIHRSSEFC-HKUYNNGSSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCC(Oc2ccc(C[NH2+]CN3CCC(=O)CC3)cc2)CC1 ZINC000367439383 154122469 /nfs/dbraw/zinc/12/24/69/154122469.db2.gz UEPNGOGIBHRFRW-UHFFFAOYSA-N 2 1 331.460 1.872 20 0 EDADMP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000367641867 154209242 /nfs/dbraw/zinc/20/92/42/154209242.db2.gz FTYUGXCTDCVHJD-QZTJIDSGSA-N 2 1 331.460 1.393 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)NCC(F)(F)C[NH3+] ZINC000417373313 304395051 /nfs/dbraw/zinc/39/50/51/304395051.db2.gz XWYMHYDCXBMRJQ-UHFFFAOYSA-N 2 1 330.379 1.020 20 0 EDADMP CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCn2ccnc2C1 ZINC000369499612 155061468 /nfs/dbraw/zinc/06/14/68/155061468.db2.gz HIRFAXWJOIUIEK-IRXDYDNUSA-N 2 1 326.444 1.735 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000369648964 155119731 /nfs/dbraw/zinc/11/97/31/155119731.db2.gz OYKBIMIKUGZTPX-SJLPKXTDSA-N 2 1 334.508 1.987 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000371819081 156120793 /nfs/dbraw/zinc/12/07/93/156120793.db2.gz PCRKAIJHPURBSC-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000371819081 156120800 /nfs/dbraw/zinc/12/08/00/156120800.db2.gz PCRKAIJHPURBSC-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000371819081 156120804 /nfs/dbraw/zinc/12/08/04/156120804.db2.gz PCRKAIJHPURBSC-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@](C)(O)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372333711 156339015 /nfs/dbraw/zinc/33/90/15/156339015.db2.gz SAFDERRVNPQRPA-RLLQIKCJSA-N 2 1 331.504 1.852 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1cncn1C ZINC000378113568 158081899 /nfs/dbraw/zinc/08/18/99/158081899.db2.gz LJPWFNLVWOMHJZ-WMLDXEAASA-N 2 1 342.447 1.525 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000378204040 158107884 /nfs/dbraw/zinc/10/78/84/158107884.db2.gz KNDWCKAREVVARA-ZACQAIPSSA-N 2 1 325.497 1.901 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC[NH+]1CCOC ZINC000378354657 158148846 /nfs/dbraw/zinc/14/88/46/158148846.db2.gz HQMLESLXHRGPOT-FGTMMUONSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])n2c1 ZINC000261977933 292397885 /nfs/dbraw/zinc/39/78/85/292397885.db2.gz IYIHKONYUPKSGO-OAHLLOKOSA-N 2 1 329.448 1.462 20 0 EDADMP Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])n2c1 ZINC000261977933 292397886 /nfs/dbraw/zinc/39/78/86/292397886.db2.gz IYIHKONYUPKSGO-OAHLLOKOSA-N 2 1 329.448 1.462 20 0 EDADMP CC[N@@H+](C[C@H](C)O)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000352186207 162038590 /nfs/dbraw/zinc/03/85/90/162038590.db2.gz JWPBRHUOXSNPRE-IRXDYDNUSA-N 2 1 347.503 1.858 20 0 EDADMP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352421460 162173032 /nfs/dbraw/zinc/17/30/32/162173032.db2.gz CQZRWVNIWSVQNI-DLBZAZTESA-N 2 1 344.459 1.286 20 0 EDADMP CNC(=O)NC(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352421460 162173035 /nfs/dbraw/zinc/17/30/35/162173035.db2.gz CQZRWVNIWSVQNI-DLBZAZTESA-N 2 1 344.459 1.286 20 0 EDADMP CNC(=O)NC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352421460 162173037 /nfs/dbraw/zinc/17/30/37/162173037.db2.gz CQZRWVNIWSVQNI-DLBZAZTESA-N 2 1 344.459 1.286 20 0 EDADMP [NH3+]CCC[N@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)CC1CCCC1 ZINC000352518635 162226135 /nfs/dbraw/zinc/22/61/35/162226135.db2.gz JAXREURZLJXEME-GOSISDBHSA-N 2 1 345.487 1.947 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000366453436 162384563 /nfs/dbraw/zinc/38/45/63/162384563.db2.gz AUTVMKLPTAJJSW-KRWDZBQOSA-N 2 1 336.524 1.489 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000366453436 162384567 /nfs/dbraw/zinc/38/45/67/162384567.db2.gz AUTVMKLPTAJJSW-KRWDZBQOSA-N 2 1 336.524 1.489 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000366453436 162384570 /nfs/dbraw/zinc/38/45/70/162384570.db2.gz AUTVMKLPTAJJSW-KRWDZBQOSA-N 2 1 336.524 1.489 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000073477757 287260744 /nfs/dbraw/zinc/26/07/44/287260744.db2.gz SYRQVANOMHCNEF-QGZVFWFLSA-N 2 1 345.491 1.052 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000080674917 287308630 /nfs/dbraw/zinc/30/86/30/287308630.db2.gz ODTWLFAQNWZIMU-KRWDZBQOSA-N 2 1 341.544 1.430 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000423344309 287353581 /nfs/dbraw/zinc/35/35/81/287353581.db2.gz XPGIHMNGNXRLDN-CABCVRRESA-N 2 1 333.480 1.349 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000121419715 287371272 /nfs/dbraw/zinc/37/12/72/287371272.db2.gz DALFBFBKILBBHR-UHFFFAOYSA-N 2 1 337.468 1.334 20 0 EDADMP O=C(NCC[C@@H]1CCC[NH2+]C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418352728 304484352 /nfs/dbraw/zinc/48/43/52/304484352.db2.gz UIGQUFJJRBCAIS-IBGZPJMESA-N 2 1 344.503 1.946 20 0 EDADMP COc1ccc2c(c1)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)CCS2 ZINC000191509863 272979950 /nfs/dbraw/zinc/97/99/50/272979950.db2.gz FWDLOELXLBNRRB-MRXNPFEDSA-N 2 1 349.500 1.986 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000652320365 452492997 /nfs/dbraw/zinc/49/29/97/452492997.db2.gz ZOMYCDJUBBPBRV-GASCZTMLSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000652320365 452493009 /nfs/dbraw/zinc/49/30/09/452493009.db2.gz ZOMYCDJUBBPBRV-GASCZTMLSA-N 2 1 326.485 1.127 20 0 EDADMP CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347965 452522856 /nfs/dbraw/zinc/52/28/56/452522856.db2.gz QCSWQDUEURLIOJ-XQQFMLRXSA-N 2 1 337.386 1.225 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)CCO1 ZINC000237601274 273011125 /nfs/dbraw/zinc/01/11/25/273011125.db2.gz GEZZJGXAJUENNK-YJBOKZPZSA-N 2 1 331.460 1.441 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261749316 273017259 /nfs/dbraw/zinc/01/72/59/273017259.db2.gz LAUGCEXQPVODNL-PKOBYXMFSA-N 2 1 345.487 1.721 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273062207 273026679 /nfs/dbraw/zinc/02/66/79/273026679.db2.gz JEKLJSRRPDOVCJ-MJGOQNOKSA-N 2 1 345.487 1.688 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000276688991 268462287 /nfs/dbraw/zinc/46/22/87/268462287.db2.gz UYLOQALSVBLKAL-DZOHQFGASA-N 2 1 331.460 1.221 20 0 EDADMP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000276137528 273151796 /nfs/dbraw/zinc/15/17/96/273151796.db2.gz YSHGBISRSKYUKQ-LLYBFZRZSA-N 2 1 336.505 1.850 20 0 EDADMP O=C(C[NH2+]C1CC1)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000154637533 287647604 /nfs/dbraw/zinc/64/76/04/287647604.db2.gz NDAPXWMRZCZDEC-UHFFFAOYSA-N 2 1 342.443 1.664 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cn1 ZINC000280922790 273415461 /nfs/dbraw/zinc/41/54/61/273415461.db2.gz UERAHYIIHCXUIR-CRAIPNDOSA-N 2 1 325.416 1.582 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000283367956 273840487 /nfs/dbraw/zinc/84/04/87/273840487.db2.gz FTGNNBIITFADNZ-UHFFFAOYSA-N 2 1 349.479 1.032 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000659855701 452739651 /nfs/dbraw/zinc/73/96/51/452739651.db2.gz JQYIPSZJNPIFHN-ZJPYXAASSA-N 2 1 327.513 1.261 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365085338 276123097 /nfs/dbraw/zinc/12/30/97/276123097.db2.gz DOCKERNMPQNDQF-IAGOWNOFSA-N 2 1 338.496 1.367 20 0 EDADMP CC[N@@H+](CCNC(=O)NCc1ccccc1OCC[NH+](C)C)C1CC1 ZINC000263752182 276127344 /nfs/dbraw/zinc/12/73/44/276127344.db2.gz QCMAVFJYNHSQFF-UHFFFAOYSA-N 2 1 348.491 1.911 20 0 EDADMP C[NH+](C)CC1(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000343814809 276781078 /nfs/dbraw/zinc/78/10/78/276781078.db2.gz JWFBVVYKYAUGHG-UHFFFAOYSA-N 2 1 344.503 1.405 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[NH2+]Cc2cccn2C)cc[nH+]1 ZINC000354934695 276904072 /nfs/dbraw/zinc/90/40/72/276904072.db2.gz LQDAZQJVPATANF-HIFRSBDPSA-N 2 1 332.427 1.588 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+]([C@H]3Cc4ccccc4[C@H]3O)C2)CC1 ZINC000371472505 277107449 /nfs/dbraw/zinc/10/74/49/277107449.db2.gz DZBXUGKBCODHTA-FFZOFVMBSA-N 2 1 329.488 1.604 20 0 EDADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000286100139 287935408 /nfs/dbraw/zinc/93/54/08/287935408.db2.gz NNCKGPLJXZFSAR-CRAIPNDOSA-N 2 1 348.491 1.050 20 0 EDADMP COC[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000449774547 277251736 /nfs/dbraw/zinc/25/17/36/277251736.db2.gz KNUNCRILWBQJSN-MRXNPFEDSA-N 2 1 333.480 1.477 20 0 EDADMP COC[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000449774547 277251738 /nfs/dbraw/zinc/25/17/38/277251738.db2.gz KNUNCRILWBQJSN-MRXNPFEDSA-N 2 1 333.480 1.477 20 0 EDADMP COc1cccc([C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)[NH+](C)C)c1 ZINC000101975389 278020195 /nfs/dbraw/zinc/02/01/95/278020195.db2.gz UVTWNBYKJGEFRU-QGZVFWFLSA-N 2 1 336.480 1.937 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417023942 278246638 /nfs/dbraw/zinc/24/66/38/278246638.db2.gz PSYVLJRVTKDJKQ-FUHWJXTLSA-N 2 1 347.507 1.354 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000417023942 278246640 /nfs/dbraw/zinc/24/66/40/278246640.db2.gz PSYVLJRVTKDJKQ-FUHWJXTLSA-N 2 1 347.507 1.354 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000417023942 278246641 /nfs/dbraw/zinc/24/66/41/278246641.db2.gz PSYVLJRVTKDJKQ-FUHWJXTLSA-N 2 1 347.507 1.354 20 0 EDADMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)nc1 ZINC000286631908 288050835 /nfs/dbraw/zinc/05/08/35/288050835.db2.gz ZJRZSVBIQWGSJN-AWEZNQCLSA-N 2 1 335.448 1.393 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C[C@@H](C)O1 ZINC000344296908 288066534 /nfs/dbraw/zinc/06/65/34/288066534.db2.gz RIGYRAWRFTVJDH-LVQVYYBASA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@@H](C)O1 ZINC000344296908 288066539 /nfs/dbraw/zinc/06/65/39/288066539.db2.gz RIGYRAWRFTVJDH-LVQVYYBASA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC([NH+](C)Cc3ccccc3)C2)CCC[N@H+]1C ZINC000355083150 279120569 /nfs/dbraw/zinc/12/05/69/279120569.db2.gz NCFTYHYHFXCCFU-CRAIPNDOSA-N 2 1 330.476 1.995 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CCC[NH+]1C ZINC000355083150 279120570 /nfs/dbraw/zinc/12/05/70/279120570.db2.gz NCFTYHYHFXCCFU-CRAIPNDOSA-N 2 1 330.476 1.995 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CCC[NH+]1C ZINC000355083150 279120572 /nfs/dbraw/zinc/12/05/72/279120572.db2.gz NCFTYHYHFXCCFU-CRAIPNDOSA-N 2 1 330.476 1.995 20 0 EDADMP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000268948163 279314537 /nfs/dbraw/zinc/31/45/37/279314537.db2.gz UZUHOIVOMSHRNV-KURKYZTESA-N 2 1 331.508 1.664 20 0 EDADMP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000268948163 279314538 /nfs/dbraw/zinc/31/45/38/279314538.db2.gz UZUHOIVOMSHRNV-KURKYZTESA-N 2 1 331.508 1.664 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCOCC1 ZINC000174151814 279328962 /nfs/dbraw/zinc/32/89/62/279328962.db2.gz WGLDPCXHRIYECP-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000360126876 279365916 /nfs/dbraw/zinc/36/59/16/279365916.db2.gz WFKWBMXKUNGQTH-BZUAXINKSA-N 2 1 326.485 1.077 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000360126876 279365917 /nfs/dbraw/zinc/36/59/17/279365917.db2.gz WFKWBMXKUNGQTH-BZUAXINKSA-N 2 1 326.485 1.077 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000358116078 279367396 /nfs/dbraw/zinc/36/73/96/279367396.db2.gz GRUNOJNYVXOUQA-OAHLLOKOSA-N 2 1 327.517 1.040 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000358116078 279367397 /nfs/dbraw/zinc/36/73/97/279367397.db2.gz GRUNOJNYVXOUQA-OAHLLOKOSA-N 2 1 327.517 1.040 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000358116078 279367399 /nfs/dbraw/zinc/36/73/99/279367399.db2.gz GRUNOJNYVXOUQA-OAHLLOKOSA-N 2 1 327.517 1.040 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCCC(=O)NC)CC1 ZINC000093718003 279374958 /nfs/dbraw/zinc/37/49/58/279374958.db2.gz XKKJNDJUJGHTIK-UHFFFAOYSA-N 2 1 332.492 1.787 20 0 EDADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000287344979 288215124 /nfs/dbraw/zinc/21/51/24/288215124.db2.gz GNNOGYAZYHQTEZ-AWEZNQCLSA-N 2 1 346.475 1.694 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000345073202 288217424 /nfs/dbraw/zinc/21/74/24/288217424.db2.gz MDXKKLSRARROKU-QRQLOZEOSA-N 2 1 345.487 1.544 20 0 EDADMP CNS(=O)(=O)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000287472754 288245487 /nfs/dbraw/zinc/24/54/87/288245487.db2.gz MMBWWEXNDKKDBS-UHFFFAOYSA-N 2 1 339.505 1.568 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000287491229 288249448 /nfs/dbraw/zinc/24/94/48/288249448.db2.gz XOKSLSUWQVWVMQ-INIZCTEOSA-N 2 1 340.443 1.306 20 0 EDADMP CC[N@@H+](C)CCNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000287586841 288271740 /nfs/dbraw/zinc/27/17/40/288271740.db2.gz VZABZCNDTWHYHN-UHFFFAOYSA-N 2 1 343.475 1.793 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[NH+](CC)CC)CC[N@H+]1CCOC ZINC000344059341 281137283 /nfs/dbraw/zinc/13/72/83/281137283.db2.gz LQKARUIAHJHECO-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000368208151 289045680 /nfs/dbraw/zinc/04/56/80/289045680.db2.gz HWZSIQBSDLJSKV-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC000364208471 289047843 /nfs/dbraw/zinc/04/78/43/289047843.db2.gz JTTLMMSFFJADPP-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCC[NH+]3CCc4sccc4C3)C2)C1 ZINC000291865545 289200640 /nfs/dbraw/zinc/20/06/40/289200640.db2.gz IBQVWDQPKKCMBZ-GOSISDBHSA-N 2 1 348.516 1.843 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NCC[NH+]3CCc4sccc4C3)C2)C1 ZINC000291865545 289200642 /nfs/dbraw/zinc/20/06/42/289200642.db2.gz IBQVWDQPKKCMBZ-GOSISDBHSA-N 2 1 348.516 1.843 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)NCC[N@@H+]3CCc4sccc4C3)C2)C1 ZINC000291865545 289200644 /nfs/dbraw/zinc/20/06/44/289200644.db2.gz IBQVWDQPKKCMBZ-GOSISDBHSA-N 2 1 348.516 1.843 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)NCC[N@H+]3CCc4sccc4C3)C2)C1 ZINC000291865545 289200645 /nfs/dbraw/zinc/20/06/45/289200645.db2.gz IBQVWDQPKKCMBZ-GOSISDBHSA-N 2 1 348.516 1.843 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000291880324 289204434 /nfs/dbraw/zinc/20/44/34/289204434.db2.gz GYRUSHPNJVMHJM-GOSISDBHSA-N 2 1 343.475 1.653 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292050460 289248923 /nfs/dbraw/zinc/24/89/23/289248923.db2.gz BMAIWJLYYNUODI-QUCCMNQESA-N 3 1 344.503 1.433 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)Cc1ccccc1 ZINC000487524651 289356804 /nfs/dbraw/zinc/35/68/04/289356804.db2.gz XXAIFOJDMSHPSE-ICSRJNTNSA-N 2 1 344.503 1.897 20 0 EDADMP CN(C)[C@H]1CCC[N@H+](CC2(CN3CCC[C@H]([NH+](C)C)C3)COC2)C1 ZINC000119383868 289373470 /nfs/dbraw/zinc/37/34/70/289373470.db2.gz YHGTZZREYRWXEP-ROUUACIJSA-N 2 1 338.540 1.055 20 0 EDADMP CN(C)[C@H]1CCC[N@@H+](CC2(CN3CCC[C@H]([NH+](C)C)C3)COC2)C1 ZINC000119383868 289373473 /nfs/dbraw/zinc/37/34/73/289373473.db2.gz YHGTZZREYRWXEP-ROUUACIJSA-N 2 1 338.540 1.055 20 0 EDADMP CO[C@]1(C)C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664280791 452962710 /nfs/dbraw/zinc/96/27/10/452962710.db2.gz IOMKIVAOHTYPMJ-RLFYNMQTSA-N 2 1 342.528 1.761 20 0 EDADMP C[NH+]1CCN(CCOCCN2CC[N@H+](C)CC2(C)C)C(C)(C)C1 ZINC000347590093 290044590 /nfs/dbraw/zinc/04/45/90/290044590.db2.gz LZWONLWNACPOET-UHFFFAOYSA-N 2 1 326.529 1.055 20 0 EDADMP CN1CC[N@H+](CCOCCN2CC[NH+](C)CC2(C)C)C(C)(C)C1 ZINC000347590093 290044595 /nfs/dbraw/zinc/04/45/95/290044595.db2.gz LZWONLWNACPOET-UHFFFAOYSA-N 2 1 326.529 1.055 20 0 EDADMP CN1CC[N@@H+](CCOCCN2CC[NH+](C)CC2(C)C)C(C)(C)C1 ZINC000347590093 290044597 /nfs/dbraw/zinc/04/45/97/290044597.db2.gz LZWONLWNACPOET-UHFFFAOYSA-N 2 1 326.529 1.055 20 0 EDADMP CN1CC[NH+](CCOCCN2CC[N@H+](C)CC2(C)C)C(C)(C)C1 ZINC000347590093 290044600 /nfs/dbraw/zinc/04/46/00/290044600.db2.gz LZWONLWNACPOET-UHFFFAOYSA-N 2 1 326.529 1.055 20 0 EDADMP CN1CC[NH+](CCOCCN2CC[N@@H+](C)CC2(C)C)C(C)(C)C1 ZINC000347590093 290044603 /nfs/dbraw/zinc/04/46/03/290044603.db2.gz LZWONLWNACPOET-UHFFFAOYSA-N 2 1 326.529 1.055 20 0 EDADMP COC[C@H](C)NC(=[NH2+])NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000364057629 293019015 /nfs/dbraw/zinc/01/90/15/293019015.db2.gz NXZRAQGEQUPLMW-HNNXBMFYSA-N 2 1 340.512 1.949 20 0 EDADMP COC[C@H](C)NC(=[NH2+])NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000364057629 293019021 /nfs/dbraw/zinc/01/90/21/293019021.db2.gz NXZRAQGEQUPLMW-HNNXBMFYSA-N 2 1 340.512 1.949 20 0 EDADMP COC[C@]1(CNC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000357280927 293291445 /nfs/dbraw/zinc/29/14/45/293291445.db2.gz ACAZJVCCDAKEPT-KYHPRHEASA-N 2 1 341.496 1.005 20 0 EDADMP COC[C@]1(CNC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000357280927 293291446 /nfs/dbraw/zinc/29/14/46/293291446.db2.gz ACAZJVCCDAKEPT-KYHPRHEASA-N 2 1 341.496 1.005 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261936838 295549556 /nfs/dbraw/zinc/54/95/56/295549556.db2.gz KCLPQOGASVTMQV-WFASDCNBSA-N 2 1 339.892 1.908 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[NH+]1CCSCC1 ZINC000344450391 298079393 /nfs/dbraw/zinc/07/93/93/298079393.db2.gz IOMGBEQUJRMDRW-HLLBOEOZSA-N 2 1 337.533 1.899 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+]1CCSCC1 ZINC000344450391 298079396 /nfs/dbraw/zinc/07/93/96/298079396.db2.gz IOMGBEQUJRMDRW-HLLBOEOZSA-N 2 1 337.533 1.899 20 0 EDADMP CC(C)[C@@H](NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1)c1ccc(F)cc1 ZINC000420399975 304755745 /nfs/dbraw/zinc/75/57/45/304755745.db2.gz CZGLLVSXDWUGQF-QGZVFWFLSA-N 2 1 337.439 1.425 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662584696 453311717 /nfs/dbraw/zinc/31/17/17/453311717.db2.gz OWUHWJWXILJQAX-UHIISALHSA-N 2 1 340.265 1.905 20 0 EDADMP COC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159338370 302916838 /nfs/dbraw/zinc/91/68/38/302916838.db2.gz YSECVCQQKXEWEH-OAHLLOKOSA-N 2 1 339.480 1.252 20 0 EDADMP CN(CCC[N@@H+](C)C[C@@H](O)Cc1ccc(F)cc1)CC[NH+](C)C ZINC000293681549 303002844 /nfs/dbraw/zinc/00/28/44/303002844.db2.gz VPLWWZDMINZUGM-SFHVURJKSA-N 2 1 325.472 1.544 20 0 EDADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000295484194 303225350 /nfs/dbraw/zinc/22/53/50/303225350.db2.gz XGJRABAYWRTDSZ-UHFFFAOYSA-N 2 1 339.867 1.935 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(F)F ZINC000417670560 303384489 /nfs/dbraw/zinc/38/44/89/303384489.db2.gz OWNBJFLKTTYUEX-LSDHHAIUSA-N 2 1 340.418 1.933 20 0 EDADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000297472697 303402829 /nfs/dbraw/zinc/40/28/29/303402829.db2.gz YRWIBGBOFOSTAC-UHFFFAOYSA-N 2 1 327.432 1.890 20 0 EDADMP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCC[NH+]3CCSCC3)C2)C1 ZINC000458385014 447339291 /nfs/dbraw/zinc/33/92/91/447339291.db2.gz MOIVTQXCTXCLCI-MRXNPFEDSA-N 2 1 326.510 1.163 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCC[NH+]3CCSCC3)C2)C1 ZINC000458385014 447339298 /nfs/dbraw/zinc/33/92/98/447339298.db2.gz MOIVTQXCTXCLCI-MRXNPFEDSA-N 2 1 326.510 1.163 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000422705387 304878857 /nfs/dbraw/zinc/87/88/57/304878857.db2.gz ROCMRPMBRKJJLO-KCQAQPDRSA-N 2 1 325.478 1.633 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000423888961 304913762 /nfs/dbraw/zinc/91/37/62/304913762.db2.gz ZJRDMUILLGEPOO-ZJPYXAASSA-N 2 1 337.508 1.853 20 0 EDADMP CCn1c(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)nc2c1cccc2F ZINC000430610642 305058799 /nfs/dbraw/zinc/05/87/99/305058799.db2.gz LUGNKRYQEXULCV-ZDUSSCGKSA-N 2 1 347.438 1.482 20 0 EDADMP CCn1c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)nc2c1cccc2F ZINC000430610642 305058800 /nfs/dbraw/zinc/05/88/00/305058800.db2.gz LUGNKRYQEXULCV-ZDUSSCGKSA-N 2 1 347.438 1.482 20 0 EDADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1C ZINC000430614569 305059166 /nfs/dbraw/zinc/05/91/66/305059166.db2.gz ZIAAETLBORIDJB-JKSUJKDBSA-N 2 1 346.475 1.417 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000430707821 305062988 /nfs/dbraw/zinc/06/29/88/305062988.db2.gz HOMYMZKAAOJIHL-JKSUJKDBSA-N 2 1 325.497 1.772 20 0 EDADMP Cc1c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000430742238 305063768 /nfs/dbraw/zinc/06/37/68/305063768.db2.gz KYJNZQYTQPOTBG-KGLIPLIRSA-N 2 1 348.495 1.504 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COC3C[NH2+]C3)cc2)C1 ZINC000430746502 305064034 /nfs/dbraw/zinc/06/40/34/305064034.db2.gz HNQUOYJCFHTJGX-HNNXBMFYSA-N 2 1 331.460 1.523 20 0 EDADMP COCC[C@@]1(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CC[NH2+]C1 ZINC000430780675 305064850 /nfs/dbraw/zinc/06/48/50/305064850.db2.gz OCGHYQUGUAEANJ-IBGZPJMESA-N 2 1 346.475 1.491 20 0 EDADMP C[NH2+]CC1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000430925756 305068471 /nfs/dbraw/zinc/06/84/71/305068471.db2.gz MITLMCNCDLHYPB-UHFFFAOYSA-N 2 1 330.388 1.897 20 0 EDADMP C[C@H]([NH3+])C1CC[NH+](CCOc2cccc(S(C)(=O)=O)c2)CC1 ZINC000430962419 305071360 /nfs/dbraw/zinc/07/13/60/305071360.db2.gz QMVAZUFEHASLLV-ZDUSSCGKSA-N 2 1 326.462 1.528 20 0 EDADMP CCC[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC000431076599 305074353 /nfs/dbraw/zinc/07/43/53/305074353.db2.gz FWSKQEARYWOICP-UHFFFAOYSA-N 2 1 333.432 1.496 20 0 EDADMP CCC[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC000431076599 305074354 /nfs/dbraw/zinc/07/43/54/305074354.db2.gz FWSKQEARYWOICP-UHFFFAOYSA-N 2 1 333.432 1.496 20 0 EDADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000433280097 305104713 /nfs/dbraw/zinc/10/47/13/305104713.db2.gz ARRLJQLMXRLRKX-QFBILLFUSA-N 2 1 349.523 1.993 20 0 EDADMP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000433280097 305104714 /nfs/dbraw/zinc/10/47/14/305104714.db2.gz ARRLJQLMXRLRKX-QFBILLFUSA-N 2 1 349.523 1.993 20 0 EDADMP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000433280097 305104715 /nfs/dbraw/zinc/10/47/15/305104715.db2.gz ARRLJQLMXRLRKX-QFBILLFUSA-N 2 1 349.523 1.993 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433294774 305105417 /nfs/dbraw/zinc/10/54/17/305105417.db2.gz NFQQTIGMOQZKEO-IAGOWNOFSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NCC2CC[NH+](C)CC2)CCCO1 ZINC000433316715 305105520 /nfs/dbraw/zinc/10/55/20/305105520.db2.gz BCQMDTOFDPTSOZ-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433356623 305106277 /nfs/dbraw/zinc/10/62/77/305106277.db2.gz SRYSPDHGMRBPPL-IBGZPJMESA-N 2 1 346.519 1.775 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000435382428 305139573 /nfs/dbraw/zinc/13/95/73/305139573.db2.gz ZUAPYPPYZBZJPS-HOCLYGCPSA-N 2 1 331.460 1.761 20 0 EDADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000435389951 305139796 /nfs/dbraw/zinc/13/97/96/305139796.db2.gz NNIHSQQKIOUAQV-INIZCTEOSA-N 2 1 331.460 1.762 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435569186 305142534 /nfs/dbraw/zinc/14/25/34/305142534.db2.gz JDDJEOZKYIBDEO-CQSZACIVSA-N 2 1 336.505 1.954 20 0 EDADMP C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435614315 305143286 /nfs/dbraw/zinc/14/32/86/305143286.db2.gz FGFGGFXSAFYVJS-OAHLLOKOSA-N 2 1 340.489 1.933 20 0 EDADMP C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435614315 305143287 /nfs/dbraw/zinc/14/32/87/305143287.db2.gz FGFGGFXSAFYVJS-OAHLLOKOSA-N 2 1 340.489 1.933 20 0 EDADMP C[NH+](C)CCOc1cccc(NC(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000437731348 305178741 /nfs/dbraw/zinc/17/87/41/305178741.db2.gz CPMVHCRWGFSKSV-UHFFFAOYSA-N 2 1 332.448 1.939 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CC[C@H]3CCOC3)c2)C1 ZINC000438193818 305182793 /nfs/dbraw/zinc/18/27/93/305182793.db2.gz XPEGJAVCXDFFEY-LPHOPBHVSA-N 2 1 345.487 1.900 20 0 EDADMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444588555 305251188 /nfs/dbraw/zinc/25/11/88/305251188.db2.gz DMGCJTZSGKNSEF-DLBZAZTESA-N 2 1 325.497 1.726 20 0 EDADMP CCOCC[C@H](O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000444612274 305251683 /nfs/dbraw/zinc/25/16/83/305251683.db2.gz SWTYMTDAXFOSQB-KSZLIROESA-N 2 1 327.513 1.264 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000449532713 305313096 /nfs/dbraw/zinc/31/30/96/305313096.db2.gz IYQQNYCRGULVOR-GASCZTMLSA-N 2 1 329.448 1.463 20 0 EDADMP CC[C@H](C(=O)NC[C@H]1CCCC[NH+]1CCO)[N@@H+](C)Cc1ccccc1 ZINC000452367698 305393363 /nfs/dbraw/zinc/39/33/63/305393363.db2.gz BTDKKFWUBWVHEI-RTBURBONSA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)[NH+](C)Cc1ccccc1 ZINC000452367698 305393364 /nfs/dbraw/zinc/39/33/64/305393364.db2.gz BTDKKFWUBWVHEI-RTBURBONSA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CCO)[NH+](C)Cc1ccccc1 ZINC000452367698 305393365 /nfs/dbraw/zinc/39/33/65/305393365.db2.gz BTDKKFWUBWVHEI-RTBURBONSA-N 2 1 347.503 1.860 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCCC[NH+]1CCO)[N@H+](C)Cc1ccccc1 ZINC000452387166 305396788 /nfs/dbraw/zinc/39/67/88/305396788.db2.gz GTXWHDVQKAKVTJ-FUHWJXTLSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCCC[NH+]1CCO)[N@@H+](C)Cc1ccccc1 ZINC000452387166 305396789 /nfs/dbraw/zinc/39/67/89/305396789.db2.gz GTXWHDVQKAKVTJ-FUHWJXTLSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)[NH+](C)Cc1ccccc1 ZINC000452387166 305396790 /nfs/dbraw/zinc/39/67/90/305396790.db2.gz GTXWHDVQKAKVTJ-FUHWJXTLSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CCO)[NH+](C)Cc1ccccc1 ZINC000452387166 305396791 /nfs/dbraw/zinc/39/67/91/305396791.db2.gz GTXWHDVQKAKVTJ-FUHWJXTLSA-N 2 1 333.476 1.470 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)COc2cccnc2)CC1 ZINC000518398822 305761445 /nfs/dbraw/zinc/76/14/45/305761445.db2.gz IFUYYRDDVGGFJW-UHFFFAOYSA-N 2 1 327.388 1.246 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000530230353 305935226 /nfs/dbraw/zinc/93/52/26/305935226.db2.gz ZLSVTBRGQYXEGE-IBGZPJMESA-N 2 1 344.503 1.261 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000543706123 306067147 /nfs/dbraw/zinc/06/71/47/306067147.db2.gz FAEHIKAYVNQDQX-SJORKVTESA-N 2 1 349.479 1.259 20 0 EDADMP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000555596535 306203644 /nfs/dbraw/zinc/20/36/44/306203644.db2.gz KBGMBEYDTBJJMH-LPHOPBHVSA-N 2 1 331.460 1.270 20 0 EDADMP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000555596535 306203645 /nfs/dbraw/zinc/20/36/45/306203645.db2.gz KBGMBEYDTBJJMH-LPHOPBHVSA-N 2 1 331.460 1.270 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000414946095 447369871 /nfs/dbraw/zinc/36/98/71/447369871.db2.gz SNCWTHFCKKSSFS-DOMZBBRYSA-N 2 1 330.432 1.086 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000414951722 447371059 /nfs/dbraw/zinc/37/10/59/447371059.db2.gz HBQMZCWJCILEJR-WQGACYEGSA-N 2 1 330.432 1.244 20 0 EDADMP COC(=O)C1CCC([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000426036866 447382067 /nfs/dbraw/zinc/38/20/67/447382067.db2.gz PWASZXSDDIQMFZ-UHFFFAOYSA-N 2 1 339.480 1.251 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000426041723 447384340 /nfs/dbraw/zinc/38/43/40/447384340.db2.gz HCLVUEFWKHZNTE-IJEWVQPXSA-N 2 1 345.553 1.897 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000449707192 447387290 /nfs/dbraw/zinc/38/72/90/447387290.db2.gz CXOCQYWAIBNJNK-FUHWJXTLSA-N 2 1 349.450 1.532 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000458501820 447390897 /nfs/dbraw/zinc/39/08/97/447390897.db2.gz JIXWHZNKGBRXHL-HOCLYGCPSA-N 2 1 328.526 1.548 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000665356778 453664802 /nfs/dbraw/zinc/66/48/02/453664802.db2.gz XTPUOLZNVAOILJ-CABCVRRESA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000665356778 453664804 /nfs/dbraw/zinc/66/48/04/453664804.db2.gz XTPUOLZNVAOILJ-CABCVRRESA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000665356778 453664808 /nfs/dbraw/zinc/66/48/08/453664808.db2.gz XTPUOLZNVAOILJ-CABCVRRESA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000458577470 447420507 /nfs/dbraw/zinc/42/05/07/447420507.db2.gz OXQFHCKWGCHJEZ-IRXDYDNUSA-N 2 1 340.512 1.062 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000458577470 447420513 /nfs/dbraw/zinc/42/05/13/447420513.db2.gz OXQFHCKWGCHJEZ-IRXDYDNUSA-N 2 1 340.512 1.062 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)C1 ZINC000458577470 447420521 /nfs/dbraw/zinc/42/05/21/447420521.db2.gz OXQFHCKWGCHJEZ-IRXDYDNUSA-N 2 1 340.512 1.062 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)C1 ZINC000458577470 447420527 /nfs/dbraw/zinc/42/05/27/447420527.db2.gz OXQFHCKWGCHJEZ-IRXDYDNUSA-N 2 1 340.512 1.062 20 0 EDADMP C[NH+](C)C(C)(C)CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000072812344 441261546 /nfs/dbraw/zinc/26/15/46/441261546.db2.gz KIJYVLABSSRIJM-QGZVFWFLSA-N 2 1 333.476 1.734 20 0 EDADMP C[NH+](C)C(C)(C)CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000072812344 441261550 /nfs/dbraw/zinc/26/15/50/441261550.db2.gz KIJYVLABSSRIJM-QGZVFWFLSA-N 2 1 333.476 1.734 20 0 EDADMP C[NH+](C)C1(CNC(=O)NCC[NH+]2Cc3ccccc3C2)CCOCC1 ZINC000073209303 441301383 /nfs/dbraw/zinc/30/13/83/441301383.db2.gz GESPFBAAQZVYNJ-UHFFFAOYSA-N 2 1 346.475 1.412 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107824385 441431016 /nfs/dbraw/zinc/43/10/16/441431016.db2.gz PCLRYCJAQRVLAO-QGZVFWFLSA-N 2 1 338.496 1.369 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000108541088 441461550 /nfs/dbraw/zinc/46/15/50/441461550.db2.gz FJRRXXYXNOKPLU-ZWKOTPCHSA-N 2 1 332.492 1.800 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000108590819 441467476 /nfs/dbraw/zinc/46/74/76/441467476.db2.gz LZAGIRVQRMNWPX-OAHLLOKOSA-N 2 1 347.463 1.264 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000173398481 441734158 /nfs/dbraw/zinc/73/41/58/441734158.db2.gz MFXCFSFQNCLRKQ-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000091865174 441749477 /nfs/dbraw/zinc/74/94/77/441749477.db2.gz SUMMGZROSJPQEY-QGZVFWFLSA-N 2 1 343.475 1.038 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000091865174 441749482 /nfs/dbraw/zinc/74/94/82/441749482.db2.gz SUMMGZROSJPQEY-QGZVFWFLSA-N 2 1 343.475 1.038 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000115818579 441780681 /nfs/dbraw/zinc/78/06/81/441780681.db2.gz VLXQFZICHGOJIL-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000173673058 441821627 /nfs/dbraw/zinc/82/16/27/441821627.db2.gz KRCRAZYOHPOFLN-BBWFWOEESA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000173673058 441821629 /nfs/dbraw/zinc/82/16/29/441821629.db2.gz KRCRAZYOHPOFLN-BBWFWOEESA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000077745443 441845269 /nfs/dbraw/zinc/84/52/69/441845269.db2.gz HLWDBQRTFUYYNO-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000119562585 441940770 /nfs/dbraw/zinc/94/07/70/441940770.db2.gz XMDNDLCOCDLBKQ-GOSISDBHSA-N 2 1 332.492 1.466 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000079126337 442023637 /nfs/dbraw/zinc/02/36/37/442023637.db2.gz KFFIUOMNTBZWHT-IAGOWNOFSA-N 2 1 341.544 1.288 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000069763743 442033700 /nfs/dbraw/zinc/03/37/00/442033700.db2.gz XZOJOEYCFKZJON-KRWDZBQOSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000069763743 442033701 /nfs/dbraw/zinc/03/37/01/442033701.db2.gz XZOJOEYCFKZJON-KRWDZBQOSA-N 2 1 340.512 1.469 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CC)C2)[C@@H](C)C1 ZINC000126474652 442115331 /nfs/dbraw/zinc/11/53/31/442115331.db2.gz AZVCGGJHXRXMNN-YESZJQIVSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH+](C)[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000152183675 442177726 /nfs/dbraw/zinc/17/77/26/442177726.db2.gz NCLBLUNJNCXZQP-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP C[NH+](C)[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000152183675 442177728 /nfs/dbraw/zinc/17/77/28/442177728.db2.gz NCLBLUNJNCXZQP-MSOLQXFVSA-N 2 1 333.476 1.642 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N(C)CC[NH+](C)C)c2)CCO1 ZINC000176270054 442203058 /nfs/dbraw/zinc/20/30/58/442203058.db2.gz XSLWZXIZPBLYJO-MRXNPFEDSA-N 2 1 348.491 1.610 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N(C)CC[NH+](C)C)c2)CCO1 ZINC000176270054 442203062 /nfs/dbraw/zinc/20/30/62/442203062.db2.gz XSLWZXIZPBLYJO-MRXNPFEDSA-N 2 1 348.491 1.610 20 0 EDADMP COC1(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)CC[NH2+]CC1 ZINC000166000382 442212767 /nfs/dbraw/zinc/21/27/67/442212767.db2.gz DPWXKIUQOWDJFH-UHFFFAOYSA-N 2 1 333.476 1.912 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1cccs1 ZINC000153241088 442270251 /nfs/dbraw/zinc/27/02/51/442270251.db2.gz UDJSVRMPEAUBDX-OLZOCXBDSA-N 2 1 327.519 1.904 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[NH+]1CCSCC1 ZINC000153362043 442277881 /nfs/dbraw/zinc/27/78/81/442277881.db2.gz WZRHIFNGHOYFLY-CQSZACIVSA-N 2 1 325.522 1.947 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCc2ccccc2C1 ZINC000129785047 442331621 /nfs/dbraw/zinc/33/16/21/442331621.db2.gz OTLOMUWGINCZBK-UHFFFAOYSA-N 2 1 344.503 1.141 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000171908320 442390409 /nfs/dbraw/zinc/39/04/09/442390409.db2.gz NWNKLBOKAHONEM-INIZCTEOSA-N 2 1 326.485 1.080 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)[NH+](C)C ZINC000133366302 442414393 /nfs/dbraw/zinc/41/43/93/442414393.db2.gz OZSRDRNKCNJAGX-HIFRSBDPSA-N 2 1 337.489 1.509 20 0 EDADMP COC(=O)[C@]1(C)CC[NH+]([C@@H](C)CC[N@@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000178324103 442425022 /nfs/dbraw/zinc/42/50/22/442425022.db2.gz WQLCBOSFAFBAPO-BMGDILEWSA-N 2 1 340.464 1.535 20 0 EDADMP COC(=O)[C@]1(C)CC[NH+](CC[C@H](C)[N@@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000178324103 442425026 /nfs/dbraw/zinc/42/50/26/442425026.db2.gz WQLCBOSFAFBAPO-BMGDILEWSA-N 2 1 340.464 1.535 20 0 EDADMP COC(=O)[C@]1(C)CC[NH+](CC[C@H](C)[N@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000178324103 442425029 /nfs/dbraw/zinc/42/50/29/442425029.db2.gz WQLCBOSFAFBAPO-BMGDILEWSA-N 2 1 340.464 1.535 20 0 EDADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)CCCO2 ZINC000178667929 442454040 /nfs/dbraw/zinc/45/40/40/442454040.db2.gz RAGKTKPDXSYWGY-KRWDZBQOSA-N 2 1 347.459 1.663 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000178890219 442515527 /nfs/dbraw/zinc/51/55/27/442515527.db2.gz VZIPPWYMYLFQDN-KRWDZBQOSA-N 2 1 330.476 1.409 20 0 EDADMP CCCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C1 ZINC000178891142 442516953 /nfs/dbraw/zinc/51/69/53/442516953.db2.gz WTAZLTCCQFNZDG-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CCCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C1 ZINC000178891142 442516957 /nfs/dbraw/zinc/51/69/57/442516957.db2.gz WTAZLTCCQFNZDG-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CCC(CC)[C@H](CNC(=O)C[N@H+](CC)C1CC1)[NH+]1CCOCC1 ZINC000135939753 442642837 /nfs/dbraw/zinc/64/28/37/442642837.db2.gz TUNQPPOKGAGMGO-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP CCC(CC)[C@H](CNC(=O)C[N@@H+](CC)C1CC1)[NH+]1CCOCC1 ZINC000135939753 442642840 /nfs/dbraw/zinc/64/28/40/442642840.db2.gz TUNQPPOKGAGMGO-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc2)CC1 ZINC000158128733 442648609 /nfs/dbraw/zinc/64/86/09/442648609.db2.gz YRQSAMJVLBLMRQ-AZUAARDMSA-N 2 1 342.487 1.187 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+]1CCCOCC1)CC(C)C ZINC000186863471 442622640 /nfs/dbraw/zinc/62/26/40/442622640.db2.gz OUWWDNNBTQQKJR-QGZVFWFLSA-N 2 1 342.528 1.764 20 0 EDADMP COC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CCOCC1 ZINC000187962092 442700619 /nfs/dbraw/zinc/70/06/19/442700619.db2.gz BGKWWKOQRSARSM-GOSISDBHSA-N 2 1 327.513 1.291 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000188052578 442705687 /nfs/dbraw/zinc/70/56/87/442705687.db2.gz ULIBZLYOILXSJW-BASYENTBSA-N 2 1 341.496 1.134 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCCCC1 ZINC000187219942 442661596 /nfs/dbraw/zinc/66/15/96/442661596.db2.gz ZLKFPFLASSJIIG-INIZCTEOSA-N 2 1 340.512 1.349 20 0 EDADMP CC[C@H](C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000188158711 442718544 /nfs/dbraw/zinc/71/85/44/442718544.db2.gz WWWDEWPBPOINOF-MJGOQNOKSA-N 2 1 333.476 1.422 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000246495404 442786128 /nfs/dbraw/zinc/78/61/28/442786128.db2.gz PMVNPTHSZNJLID-QBPKDAKJSA-N 2 1 325.497 1.588 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246382858 442777093 /nfs/dbraw/zinc/77/70/93/442777093.db2.gz IKQDYXWZQLEZJP-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000268002845 442813487 /nfs/dbraw/zinc/81/34/87/442813487.db2.gz NWNAYHAFIAXCFO-DLBZAZTESA-N 2 1 334.464 1.980 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCOC[C@H]2C)[C@@H](C)C1 ZINC000247135905 442837290 /nfs/dbraw/zinc/83/72/90/442837290.db2.gz VWNCHKCPPCWXAK-KSZLIROESA-N 2 1 327.513 1.434 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000265725619 442895300 /nfs/dbraw/zinc/89/53/00/442895300.db2.gz ILCJWRPKSGIGFH-QZTJIDSGSA-N 2 1 346.475 1.405 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000265725619 442895303 /nfs/dbraw/zinc/89/53/03/442895303.db2.gz ILCJWRPKSGIGFH-QZTJIDSGSA-N 2 1 346.475 1.405 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000265725619 442895308 /nfs/dbraw/zinc/89/53/08/442895308.db2.gz ILCJWRPKSGIGFH-QZTJIDSGSA-N 2 1 346.475 1.405 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000265725619 442895314 /nfs/dbraw/zinc/89/53/14/442895314.db2.gz ILCJWRPKSGIGFH-QZTJIDSGSA-N 2 1 346.475 1.405 20 0 EDADMP CN(CCC[NH+](C)C)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000182949132 442852918 /nfs/dbraw/zinc/85/29/18/442852918.db2.gz AMJGCMOXEFMOTR-UHFFFAOYSA-N 2 1 348.491 1.977 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)C[C@H]12 ZINC000248599616 442904697 /nfs/dbraw/zinc/90/46/97/442904697.db2.gz IVRDXTQEUCDUSV-XDNAFOTISA-N 2 1 345.512 1.972 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1nccn1C ZINC000183290349 318521879 /nfs/dbraw/zinc/52/18/79/318521879.db2.gz FJUPNXKTRJSINS-AWEZNQCLSA-N 2 1 329.448 1.562 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000194807021 442956710 /nfs/dbraw/zinc/95/67/10/442956710.db2.gz ZQDOMVZNFBXOIY-IYBDPMFKSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000194807021 442956712 /nfs/dbraw/zinc/95/67/12/442956712.db2.gz ZQDOMVZNFBXOIY-IYBDPMFKSA-N 2 1 340.512 1.610 20 0 EDADMP COC[C@@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000249941983 443009402 /nfs/dbraw/zinc/00/94/02/443009402.db2.gz SZUWOYPJDPPYHU-MAUKXSAKSA-N 2 1 333.476 1.756 20 0 EDADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000266137649 443031697 /nfs/dbraw/zinc/03/16/97/443031697.db2.gz PVXQYEOZSNLDMB-IRXDYDNUSA-N 2 1 332.492 1.259 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000268756753 443098497 /nfs/dbraw/zinc/09/84/97/443098497.db2.gz MBBQXMJYNCTCQB-RDJZCZTQSA-N 2 1 339.505 1.426 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000268756753 443098501 /nfs/dbraw/zinc/09/85/01/443098501.db2.gz MBBQXMJYNCTCQB-RDJZCZTQSA-N 2 1 339.505 1.426 20 0 EDADMP CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000268905279 443142390 /nfs/dbraw/zinc/14/23/90/443142390.db2.gz LQAGSZIPAIWLDM-RKVPGOIHSA-N 2 1 333.476 1.897 20 0 EDADMP C[C@@]1(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[NH2+]C1 ZINC000237484757 443173784 /nfs/dbraw/zinc/17/37/84/443173784.db2.gz BWRAJAZJKMNDTN-CQSZACIVSA-N 2 1 337.386 1.099 20 0 EDADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000261966908 443176624 /nfs/dbraw/zinc/17/66/24/443176624.db2.gz PYCRUXBFYOSRHI-CQSZACIVSA-N 2 1 340.265 1.907 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000262204852 443185462 /nfs/dbraw/zinc/18/54/62/443185462.db2.gz WSVDVLQCUSOPMT-WDSOQIARSA-N 2 1 346.519 1.855 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000262204852 443185468 /nfs/dbraw/zinc/18/54/68/443185468.db2.gz WSVDVLQCUSOPMT-WDSOQIARSA-N 2 1 346.519 1.855 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000262204852 443185472 /nfs/dbraw/zinc/18/54/72/443185472.db2.gz WSVDVLQCUSOPMT-WDSOQIARSA-N 2 1 346.519 1.855 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262697733 443207871 /nfs/dbraw/zinc/20/78/71/443207871.db2.gz FIONOQJMCMOJSF-HNNXBMFYSA-N 2 1 325.497 1.900 20 0 EDADMP C[NH+](C)[C@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccccc1 ZINC000269155661 443215749 /nfs/dbraw/zinc/21/57/49/443215749.db2.gz GLCNBHCJQQJIQO-SFHVURJKSA-N 2 1 339.443 1.733 20 0 EDADMP Cc1cn[nH]c1C[NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000352847587 319106520 /nfs/dbraw/zinc/10/65/20/319106520.db2.gz VNKJEDPPKVSCEJ-MRXNPFEDSA-N 2 1 329.448 1.097 20 0 EDADMP Cc1c[nH]nc1C[NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000352847587 319106522 /nfs/dbraw/zinc/10/65/22/319106522.db2.gz VNKJEDPPKVSCEJ-MRXNPFEDSA-N 2 1 329.448 1.097 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC000376758817 319122895 /nfs/dbraw/zinc/12/28/95/319122895.db2.gz RGZJZOYDSRBMKP-KRWDZBQOSA-N 2 1 335.423 1.443 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC000376758817 319122897 /nfs/dbraw/zinc/12/28/97/319122897.db2.gz RGZJZOYDSRBMKP-KRWDZBQOSA-N 2 1 335.423 1.443 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000269250827 443251214 /nfs/dbraw/zinc/25/12/14/443251214.db2.gz GQOXVHMHLCISNP-NEWSRXKRSA-N 2 1 345.487 1.782 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)ccc1C[NH+](C)C ZINC000411371930 319179850 /nfs/dbraw/zinc/17/98/50/319179850.db2.gz BFAGYRLKKWJPMZ-UHFFFAOYSA-N 2 1 332.448 1.159 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000413820250 319291636 /nfs/dbraw/zinc/29/16/36/319291636.db2.gz SOTRQDJLLUVLMZ-SFHVURJKSA-N 2 1 330.476 1.916 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000413820250 319291638 /nfs/dbraw/zinc/29/16/38/319291638.db2.gz SOTRQDJLLUVLMZ-SFHVURJKSA-N 2 1 330.476 1.916 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414662871 319338530 /nfs/dbraw/zinc/33/85/30/319338530.db2.gz QQVDSLMXSWEWRX-AWEZNQCLSA-N 2 1 344.459 1.609 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000414692318 319343158 /nfs/dbraw/zinc/34/31/58/319343158.db2.gz ATZDRCUZECQKGB-AWEZNQCLSA-N 2 1 332.448 1.193 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415238432 319355617 /nfs/dbraw/zinc/35/56/17/319355617.db2.gz LLGSZHYBFYTIQL-CQSZACIVSA-N 2 1 334.464 1.581 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@H](C)O1 ZINC000415999312 319388597 /nfs/dbraw/zinc/38/85/97/319388597.db2.gz VUSNFMCAWLSXGK-GRYCIOLGSA-N 2 1 340.390 1.065 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000266880155 443277927 /nfs/dbraw/zinc/27/79/27/443277927.db2.gz ADBCJHFBAROZSH-UHFFFAOYSA-N 2 1 346.519 1.896 20 0 EDADMP COCC1=CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000185851164 443269246 /nfs/dbraw/zinc/26/92/46/443269246.db2.gz KRBFVTIXPAWZGW-SFHVURJKSA-N 2 1 331.460 1.684 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000416921217 319474823 /nfs/dbraw/zinc/47/48/23/319474823.db2.gz NBRYITQHJQNYEN-RBSFLKMASA-N 2 1 328.501 1.547 20 0 EDADMP CCOC(=O)N[C@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191440628 443295525 /nfs/dbraw/zinc/29/55/25/443295525.db2.gz QALSNZLOGGSODM-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(N3CCCC3)nc2)CC1(C)C ZINC000282541212 443369280 /nfs/dbraw/zinc/36/92/80/443369280.db2.gz ZTIILPUJXVSUME-UHFFFAOYSA-N 2 1 331.508 1.797 20 0 EDADMP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420398339 319616327 /nfs/dbraw/zinc/61/63/27/319616327.db2.gz AIJDSLNLFIUFIF-CQSZACIVSA-N 2 1 327.428 1.952 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H](C)O1 ZINC000423342998 319765961 /nfs/dbraw/zinc/76/59/61/319765961.db2.gz LLDPEZSJVMWRSA-VOGPDBBUSA-N 2 1 343.471 1.664 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](COc3ccccc3)C2)CC1 ZINC000283212111 443561963 /nfs/dbraw/zinc/56/19/63/443561963.db2.gz SCRWZGNXLPOADF-KRWDZBQOSA-N 2 1 331.460 1.551 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](COc3ccccc3)C2)CC1 ZINC000283212111 443561967 /nfs/dbraw/zinc/56/19/67/443561967.db2.gz SCRWZGNXLPOADF-KRWDZBQOSA-N 2 1 331.460 1.551 20 0 EDADMP O=C(C[C@H]1CC[NH2+]C1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000427269387 319894373 /nfs/dbraw/zinc/89/43/73/319894373.db2.gz JLUDUYPCEJGIRL-OAHLLOKOSA-N 2 1 334.439 1.064 20 0 EDADMP CC(C)Oc1ccc2[nH+]ccc(NC[C@@H](O)C[NH+]3CCOCC3)c2c1 ZINC000450224138 320214702 /nfs/dbraw/zinc/21/47/02/320214702.db2.gz SHBZTBLMOXHOEA-OAHLLOKOSA-N 2 1 345.443 1.549 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000457500499 320328483 /nfs/dbraw/zinc/32/84/83/320328483.db2.gz CAMKWCHADYSCPS-SJORKVTESA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000457500499 320328484 /nfs/dbraw/zinc/32/84/84/320328484.db2.gz CAMKWCHADYSCPS-SJORKVTESA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000457500499 320328485 /nfs/dbraw/zinc/32/84/85/320328485.db2.gz CAMKWCHADYSCPS-SJORKVTESA-N 2 1 340.512 1.467 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000458710106 320339031 /nfs/dbraw/zinc/33/90/31/320339031.db2.gz DRKREUQTZGLYLC-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCOCC[NH+](C)C ZINC000471631988 320352775 /nfs/dbraw/zinc/35/27/75/320352775.db2.gz ADABMHCYZCTEOV-SJLPKXTDSA-N 2 1 348.491 1.384 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(=O)[nH]1 ZINC000471967821 320353137 /nfs/dbraw/zinc/35/31/37/320353137.db2.gz MUEXFPXNAWLDMK-GFCCVEGCSA-N 2 1 326.466 1.337 20 0 EDADMP CC(C)COC(=O)N1CCC([NH2+]C2(CCO)CC[NH+](C)CC2)CC1 ZINC000496616930 320409506 /nfs/dbraw/zinc/40/95/06/320409506.db2.gz SPWPUCDASAOLRO-UHFFFAOYSA-N 2 1 341.496 1.680 20 0 EDADMP COC[C@@H](C)OC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280385170 443709537 /nfs/dbraw/zinc/70/95/37/443709537.db2.gz KCKJMJMCZHTJTQ-RSPOEFSDSA-N 2 1 348.487 1.463 20 0 EDADMP COC[C@@H](C)OC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280385170 443709543 /nfs/dbraw/zinc/70/95/43/443709543.db2.gz KCKJMJMCZHTJTQ-RSPOEFSDSA-N 2 1 348.487 1.463 20 0 EDADMP COC[C@@H](C)OC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280385170 443709546 /nfs/dbraw/zinc/70/95/46/443709546.db2.gz KCKJMJMCZHTJTQ-RSPOEFSDSA-N 2 1 348.487 1.463 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000520235118 320475957 /nfs/dbraw/zinc/47/59/57/320475957.db2.gz QHALRHBFQVQVDP-ROUUACIJSA-N 2 1 330.476 1.313 20 0 EDADMP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000531441900 320661046 /nfs/dbraw/zinc/66/10/46/320661046.db2.gz FOTHXMOLMIEBEJ-UHFFFAOYSA-N 2 1 348.516 1.771 20 0 EDADMP CC[C@@H](C)N(CC(=O)OC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000281216152 443850645 /nfs/dbraw/zinc/85/06/45/443850645.db2.gz KALRSHAAJHAPAV-CQSZACIVSA-N 2 1 335.452 1.002 20 0 EDADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(Cc2cccnc2)CC1 ZINC000298772466 443864136 /nfs/dbraw/zinc/86/41/36/443864136.db2.gz XNLLWJFDAXJSNC-ZWKOTPCHSA-N 2 1 343.475 1.536 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cn2cc[nH+]c12 ZINC000293202768 443950648 /nfs/dbraw/zinc/95/06/48/443950648.db2.gz ZGPUWVHDPBNBEK-CYBMUJFWSA-N 2 1 341.415 1.182 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cn2cc[nH+]c12 ZINC000293202768 443950650 /nfs/dbraw/zinc/95/06/50/443950650.db2.gz ZGPUWVHDPBNBEK-CYBMUJFWSA-N 2 1 341.415 1.182 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(CCNS(=O)(=O)c3ccccc3)C2)C1 ZINC000293112871 443927945 /nfs/dbraw/zinc/92/79/45/443927945.db2.gz YPIUJEUIGQNMSJ-KRWDZBQOSA-N 2 1 337.489 1.383 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000553792741 320946658 /nfs/dbraw/zinc/94/66/58/320946658.db2.gz YYOODJNUMQOPLA-JYJNAYRXSA-N 2 1 333.476 1.976 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)OC[C@@H]3C)CC2)CC1 ZINC000561118078 321033626 /nfs/dbraw/zinc/03/36/26/321033626.db2.gz GWZJRXUPADUZNA-JKSUJKDBSA-N 2 1 337.508 1.819 20 0 EDADMP CC[NH2+]CCCNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566058300 321212997 /nfs/dbraw/zinc/21/29/97/321212997.db2.gz UKVMPGIKVAIBTD-HDICACEKSA-N 2 1 330.476 1.759 20 0 EDADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000567041216 321239812 /nfs/dbraw/zinc/23/98/12/321239812.db2.gz ANXWNSLBEBWDIS-RDJZCZTQSA-N 2 1 338.540 1.591 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000567473435 321242975 /nfs/dbraw/zinc/24/29/75/321242975.db2.gz JXEUQQLMQDHCHE-MRXNPFEDSA-N 2 1 341.883 1.979 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CCc1nnnn1-c1ccccc1)CC[NH2+]CC2 ZINC000567663211 321251770 /nfs/dbraw/zinc/25/17/70/321251770.db2.gz HTSRATODQUXTSB-OAHLLOKOSA-N 2 1 326.448 1.669 20 0 EDADMP COc1cc2c(cc1CNC[C@@H]1CCCC[N@@H+]1CCO)O[C@H](C)C2 ZINC000568473405 321292636 /nfs/dbraw/zinc/29/26/36/321292636.db2.gz DEICENUPCKGCES-PBHICJAKSA-N 2 1 334.460 1.955 20 0 EDADMP COc1cc2c(cc1CNC[C@@H]1CCCC[N@H+]1CCO)O[C@H](C)C2 ZINC000568473405 321292637 /nfs/dbraw/zinc/29/26/37/321292637.db2.gz DEICENUPCKGCES-PBHICJAKSA-N 2 1 334.460 1.955 20 0 EDADMP Cc1cc(CNC(=O)N2CCC[C@@H](C[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC000568609594 321299082 /nfs/dbraw/zinc/29/90/82/321299082.db2.gz HOFIHJMAJSEXLI-HNNXBMFYSA-N 2 1 331.464 1.871 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000569085953 321317619 /nfs/dbraw/zinc/31/76/19/321317619.db2.gz ZNTSRHLTDOEROO-SFHVURJKSA-N 2 1 345.491 1.067 20 0 EDADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000569185115 321320442 /nfs/dbraw/zinc/32/04/42/321320442.db2.gz QRUHQKXGRAOXPX-GOEBONIOSA-N 2 1 326.448 1.971 20 0 EDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000569185115 321320443 /nfs/dbraw/zinc/32/04/43/321320443.db2.gz QRUHQKXGRAOXPX-GOEBONIOSA-N 2 1 326.448 1.971 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000289304150 444102281 /nfs/dbraw/zinc/10/22/81/444102281.db2.gz ZKGXVKOFHVNCLH-IAGOWNOFSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000289304150 444102286 /nfs/dbraw/zinc/10/22/86/444102286.db2.gz ZKGXVKOFHVNCLH-IAGOWNOFSA-N 2 1 348.491 1.215 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000570552496 321347369 /nfs/dbraw/zinc/34/73/69/321347369.db2.gz PLMDWRFCXLAWGP-GOSISDBHSA-N 2 1 331.460 1.733 20 0 EDADMP Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCN2CC[NH2+]CC2)cn1 ZINC000571450036 321387300 /nfs/dbraw/zinc/38/73/00/321387300.db2.gz NKEGUHBNGGVUJB-GOSISDBHSA-N 2 1 331.439 1.486 20 0 EDADMP Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CCN2CC[NH2+]CC2)cn1 ZINC000571450036 321387301 /nfs/dbraw/zinc/38/73/01/321387301.db2.gz NKEGUHBNGGVUJB-GOSISDBHSA-N 2 1 331.439 1.486 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000572012362 321410812 /nfs/dbraw/zinc/41/08/12/321410812.db2.gz WWPDFDBVYUBJNZ-ZDUSSCGKSA-N 2 1 336.461 1.612 20 0 EDADMP Cc1cccc(CC2(O)CCN(C[C@H](O)C[N@H+](C)C3CC3)CC2)c1 ZINC000289456316 444149032 /nfs/dbraw/zinc/14/90/32/444149032.db2.gz VJRVGFZCQDHRMB-LJQANCHMSA-N 2 1 332.488 1.820 20 0 EDADMP Cc1cccc(CC2(O)CC[NH+](C[C@H](O)CN(C)C3CC3)CC2)c1 ZINC000289456316 444149033 /nfs/dbraw/zinc/14/90/33/444149033.db2.gz VJRVGFZCQDHRMB-LJQANCHMSA-N 2 1 332.488 1.820 20 0 EDADMP Cc1cccc(CC2(O)CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)c1 ZINC000289456316 444149038 /nfs/dbraw/zinc/14/90/38/444149038.db2.gz VJRVGFZCQDHRMB-LJQANCHMSA-N 2 1 332.488 1.820 20 0 EDADMP Cc1cccc(CC2(O)CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)c1 ZINC000289456316 444149043 /nfs/dbraw/zinc/14/90/43/444149043.db2.gz VJRVGFZCQDHRMB-LJQANCHMSA-N 2 1 332.488 1.820 20 0 EDADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1-n1ccnn1 ZINC000285969151 444165396 /nfs/dbraw/zinc/16/53/96/444165396.db2.gz GZZDSLDHPMLKFM-QGZVFWFLSA-N 2 1 342.491 1.946 20 0 EDADMP C[C@@H]([NH2+][C@H]1COC[C@H]1n1ccnn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289532996 444166153 /nfs/dbraw/zinc/16/61/53/444166153.db2.gz QANHKAZBLZYSDO-XGXHKWSGSA-N 2 1 341.459 1.718 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000289721745 444195336 /nfs/dbraw/zinc/19/53/36/444195336.db2.gz GEGOUJVKHWBADT-KBRIMQKVSA-N 2 1 344.459 1.463 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000289721745 444195338 /nfs/dbraw/zinc/19/53/38/444195338.db2.gz GEGOUJVKHWBADT-KBRIMQKVSA-N 2 1 344.459 1.463 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@H+](C[C@@H](O)COc3ccccc3)C2)CC1 ZINC000304713477 444252083 /nfs/dbraw/zinc/25/20/83/444252083.db2.gz MOXSTWMEBYTJBD-RBUKOAKNSA-N 2 1 347.503 1.528 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](C[C@@H](O)COc3ccccc3)C2)CC1 ZINC000304713477 444252085 /nfs/dbraw/zinc/25/20/85/444252085.db2.gz MOXSTWMEBYTJBD-RBUKOAKNSA-N 2 1 347.503 1.528 20 0 EDADMP Cc1cc(NC(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)cn2cc[nH+]c12 ZINC000296846500 444258890 /nfs/dbraw/zinc/25/88/90/444258890.db2.gz KEHLDMJWOAVLFW-GOEBONIOSA-N 2 1 343.431 1.970 20 0 EDADMP CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]C2CC[NH+](C)CC2)s1 ZINC000576724983 321591268 /nfs/dbraw/zinc/59/12/68/321591268.db2.gz TYUQZONURWYMTL-QWRGUYRKSA-N 2 1 325.482 1.747 20 0 EDADMP COc1ccccc1C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000290102173 444242637 /nfs/dbraw/zinc/24/26/37/444242637.db2.gz WZLODURKJFUUDF-SFHVURJKSA-N 2 1 333.476 1.268 20 0 EDADMP COc1ccccc1C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000290102173 444242640 /nfs/dbraw/zinc/24/26/40/444242640.db2.gz WZLODURKJFUUDF-SFHVURJKSA-N 2 1 333.476 1.268 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[C@H](C[NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000304294908 444245619 /nfs/dbraw/zinc/24/56/19/444245619.db2.gz FFTFCCVNCARGRZ-FCGDIQPGSA-N 2 1 339.524 1.264 20 0 EDADMP O=S1(=O)CCCN1c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297700642 444320894 /nfs/dbraw/zinc/32/08/94/444320894.db2.gz QMEUMEINZKMMKI-UHFFFAOYSA-N 2 1 349.500 1.943 20 0 EDADMP CCC[N@H+](CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC)C1CC[NH2+]CC1 ZINC000319857613 444326235 /nfs/dbraw/zinc/32/62/35/444326235.db2.gz OINGDWXLEFICOX-BBRMVZONSA-N 2 1 327.469 1.154 20 0 EDADMP CCC[N@@H+](CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC)C1CC[NH2+]CC1 ZINC000319857613 444326238 /nfs/dbraw/zinc/32/62/38/444326238.db2.gz OINGDWXLEFICOX-BBRMVZONSA-N 2 1 327.469 1.154 20 0 EDADMP CSc1ccc([C@@H](CNC(=O)N2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000297453458 444287784 /nfs/dbraw/zinc/28/77/84/444287784.db2.gz KBROYGQBOVEECC-MRXNPFEDSA-N 2 1 336.505 1.968 20 0 EDADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1C ZINC000307976451 444288881 /nfs/dbraw/zinc/28/88/81/444288881.db2.gz WDLPGTROXDBYDO-WMZOPIPTSA-N 2 1 347.507 1.600 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](Cc3ccccc3)OC)C2)CC1 ZINC000297465299 444289120 /nfs/dbraw/zinc/28/91/20/444289120.db2.gz KKWUMQKXBDGMMJ-VQTJNVASSA-N 2 1 331.504 1.956 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000323562070 444343928 /nfs/dbraw/zinc/34/39/28/444343928.db2.gz QVFMUDXENFWFIC-ZQIUZPCESA-N 2 1 339.505 1.928 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000323562070 444343929 /nfs/dbraw/zinc/34/39/29/444343929.db2.gz QVFMUDXENFWFIC-ZQIUZPCESA-N 2 1 339.505 1.928 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000332052957 444499425 /nfs/dbraw/zinc/49/94/25/444499425.db2.gz YHQWDUXRFWKLIM-OWCLPIDISA-N 2 1 340.512 1.502 20 0 EDADMP [NH3+][C@H]1C[C@@H](C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000580315371 322035981 /nfs/dbraw/zinc/03/59/81/322035981.db2.gz FTJMZRPIWFHFLF-OTVXOJSOSA-N 2 1 336.867 1.316 20 0 EDADMP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C[NH3+])(N2CCCCC2)CC1 ZINC000580763705 322092039 /nfs/dbraw/zinc/09/20/39/322092039.db2.gz OYZVNWZEKDUHCJ-MRXNPFEDSA-N 2 1 337.512 1.069 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)[C@H]2C1 ZINC000332189555 444504424 /nfs/dbraw/zinc/50/44/24/444504424.db2.gz XLAOYFLDLPCJAC-ULQDDVLXSA-N 2 1 331.460 1.644 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000581241363 322153341 /nfs/dbraw/zinc/15/33/41/322153341.db2.gz JQYRYLFFNNIWME-HUUCEWRRSA-N 2 1 338.496 1.100 20 0 EDADMP C[NH+](C)CC(C)(C)NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000581928765 322233749 /nfs/dbraw/zinc/23/37/49/322233749.db2.gz GQKIPHXEOAJLNV-UHFFFAOYSA-N 2 1 347.507 1.448 20 0 EDADMP CCCCN(CC)C(=O)CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343703880 444531076 /nfs/dbraw/zinc/53/10/76/444531076.db2.gz DAYJVFOMZLGLFD-QGZVFWFLSA-N 2 1 338.540 1.735 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)CC1 ZINC000340915225 444573942 /nfs/dbraw/zinc/57/39/42/444573942.db2.gz IHMDFSJCVVXZTL-VQIMIIECSA-N 2 1 345.487 1.531 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H]2CCN(c3ccccn3)C2)C[C@@H]1C ZINC000332783079 444551294 /nfs/dbraw/zinc/55/12/94/444551294.db2.gz YFMZSYYMDLALRZ-JYJNAYRXSA-N 2 1 331.464 1.784 20 0 EDADMP CCN1C[C@H](C)N(C(=O)N[C@H]2CCN(c3ccccn3)C2)C[C@@H]1C ZINC000332783079 444551299 /nfs/dbraw/zinc/55/12/99/444551299.db2.gz YFMZSYYMDLALRZ-JYJNAYRXSA-N 2 1 331.464 1.784 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC000340941651 444588110 /nfs/dbraw/zinc/58/81/10/444588110.db2.gz UHUBHHHHNYABMY-JKSUJKDBSA-N 2 1 328.501 1.517 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000340941651 444588115 /nfs/dbraw/zinc/58/81/15/444588115.db2.gz UHUBHHHHNYABMY-JKSUJKDBSA-N 2 1 328.501 1.517 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000340941651 444588118 /nfs/dbraw/zinc/58/81/18/444588118.db2.gz UHUBHHHHNYABMY-JKSUJKDBSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000332894791 444589785 /nfs/dbraw/zinc/58/97/85/444589785.db2.gz YHIXNTYIAYJBSV-HHXXYDBFSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000332894791 444589787 /nfs/dbraw/zinc/58/97/87/444589787.db2.gz YHIXNTYIAYJBSV-HHXXYDBFSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000340949134 444591310 /nfs/dbraw/zinc/59/13/10/444591310.db2.gz CRCAVIURFBNEHT-NVXWUHKLSA-N 2 1 348.491 1.909 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000332949262 444608087 /nfs/dbraw/zinc/60/80/87/444608087.db2.gz VQOGFLOWNNTYRP-RISCZKNCSA-N 2 1 330.436 1.435 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000332949262 444608091 /nfs/dbraw/zinc/60/80/91/444608091.db2.gz VQOGFLOWNNTYRP-RISCZKNCSA-N 2 1 330.436 1.435 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CCCn3ccnc32)CC[N@H+]1CC(C)(C)O ZINC000333120368 444640383 /nfs/dbraw/zinc/64/03/83/444640383.db2.gz ZSKNIRZDEGWSPC-LSDHHAIUSA-N 2 1 349.479 1.247 20 0 EDADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000343968958 444701258 /nfs/dbraw/zinc/70/12/58/444701258.db2.gz BLAQILKWDHOWDU-YJBOKZPZSA-N 2 1 332.492 1.984 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000343968958 444701262 /nfs/dbraw/zinc/70/12/62/444701262.db2.gz BLAQILKWDHOWDU-YJBOKZPZSA-N 2 1 332.492 1.984 20 0 EDADMP CC[N@@H+]1C[C@H](C)[C@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000343987073 444710945 /nfs/dbraw/zinc/71/09/45/444710945.db2.gz SDFIJPYTYRHNCF-PKOBYXMFSA-N 3 1 331.508 1.524 20 0 EDADMP CC[N@H+]1C[C@H](C)[C@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000343987073 444710948 /nfs/dbraw/zinc/71/09/48/444710948.db2.gz SDFIJPYTYRHNCF-PKOBYXMFSA-N 3 1 331.508 1.524 20 0 EDADMP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)[C@@H]1C ZINC000333895152 444711375 /nfs/dbraw/zinc/71/13/75/444711375.db2.gz YCGKJWGHCFHDKK-DZVNLGKHSA-N 2 1 349.519 1.628 20 0 EDADMP COC(=O)CCC[NH+]1CCC(NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000342513076 444725022 /nfs/dbraw/zinc/72/50/22/444725022.db2.gz WNKAWBYPLJIDGS-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000341120688 444684094 /nfs/dbraw/zinc/68/40/94/444684094.db2.gz KQPQENXAPBJWMU-LSDHHAIUSA-N 2 1 340.512 1.658 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000333763590 444695971 /nfs/dbraw/zinc/69/59/71/444695971.db2.gz AUMSWNAYIOXGSX-XIRDDKMYSA-N 2 1 336.480 1.023 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341272087 444757076 /nfs/dbraw/zinc/75/70/76/444757076.db2.gz BIKFEVZFISKDGV-INIZCTEOSA-N 2 1 325.497 1.866 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000344070289 444764962 /nfs/dbraw/zinc/76/49/62/444764962.db2.gz UZQIWOZOYPAFOY-RBUKOAKNSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000344070289 444764966 /nfs/dbraw/zinc/76/49/66/444764966.db2.gz UZQIWOZOYPAFOY-RBUKOAKNSA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000334093644 444777465 /nfs/dbraw/zinc/77/74/65/444777465.db2.gz PSSOETXZMDEGGD-KRWDZBQOSA-N 2 1 338.496 1.101 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000344121400 444792477 /nfs/dbraw/zinc/79/24/77/444792477.db2.gz CRGZJWFCNVEGOD-IEBWSBKVSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000344121400 444792479 /nfs/dbraw/zinc/79/24/79/444792479.db2.gz CRGZJWFCNVEGOD-IEBWSBKVSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000344121400 444792482 /nfs/dbraw/zinc/79/24/82/444792482.db2.gz CRGZJWFCNVEGOD-IEBWSBKVSA-N 2 1 343.471 1.630 20 0 EDADMP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000344121400 444792485 /nfs/dbraw/zinc/79/24/85/444792485.db2.gz CRGZJWFCNVEGOD-IEBWSBKVSA-N 2 1 343.471 1.630 20 0 EDADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CC(=O)N(C)C)CCCC2)CC1 ZINC000341595946 444913123 /nfs/dbraw/zinc/91/31/23/444913123.db2.gz RFZINJGJPCRMBY-HNNXBMFYSA-N 2 1 325.497 1.866 20 0 EDADMP COCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCO[C@H]1C ZINC000337380144 445056572 /nfs/dbraw/zinc/05/65/72/445056572.db2.gz YEZPWPYLUVWSJV-ZWKOTPCHSA-N 2 1 327.513 1.528 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000337430750 445077562 /nfs/dbraw/zinc/07/75/62/445077562.db2.gz YWKSCYIRAKDLLE-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000337430750 445077565 /nfs/dbraw/zinc/07/75/65/445077565.db2.gz YWKSCYIRAKDLLE-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342095726 445169540 /nfs/dbraw/zinc/16/95/40/445169540.db2.gz YYDMXGWIJSIGRQ-APHBMKBZSA-N 2 1 346.431 1.403 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342095726 445169541 /nfs/dbraw/zinc/16/95/41/445169541.db2.gz YYDMXGWIJSIGRQ-APHBMKBZSA-N 2 1 346.431 1.403 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)NC(=O)Nc3ccccc3)C[C@@H]21 ZINC000342111834 445177533 /nfs/dbraw/zinc/17/75/33/445177533.db2.gz UOFDXDNBPNVEFY-CWRNSKLLSA-N 2 1 330.432 1.784 20 0 EDADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C[C@H](C)O1 ZINC000343243953 445157199 /nfs/dbraw/zinc/15/71/99/445157199.db2.gz GNTBGYCVKSPCBK-APAFKAMOSA-N 2 1 339.524 1.623 20 0 EDADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000343243953 445157204 /nfs/dbraw/zinc/15/72/04/445157204.db2.gz GNTBGYCVKSPCBK-APAFKAMOSA-N 3 1 339.524 1.623 20 0 EDADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000343243953 445157208 /nfs/dbraw/zinc/15/72/08/445157208.db2.gz GNTBGYCVKSPCBK-APAFKAMOSA-N 3 1 339.524 1.623 20 0 EDADMP C[C@@H]1COCCN1CC[N@@H+](C)C[C@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000346897954 445227280 /nfs/dbraw/zinc/22/72/80/445227280.db2.gz SICANFFDCCDSTB-ZHALLVOQSA-N 2 1 349.523 1.456 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000343590034 445253493 /nfs/dbraw/zinc/25/34/93/445253493.db2.gz WWHAZBCIFDUWAY-UHFFFAOYSA-N 2 1 346.475 1.663 20 0 EDADMP CCOC(=O)C[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343599742 445257870 /nfs/dbraw/zinc/25/78/70/445257870.db2.gz DUKIPIDEHGPPBB-ZDUSSCGKSA-N 2 1 325.453 1.003 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000348126519 445282742 /nfs/dbraw/zinc/28/27/42/445282742.db2.gz JQTIZFSRUPGIAC-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000351838828 445339047 /nfs/dbraw/zinc/33/90/47/445339047.db2.gz KOPNVBPEFQPFEZ-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000351838828 445339049 /nfs/dbraw/zinc/33/90/49/445339049.db2.gz KOPNVBPEFQPFEZ-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354686224 445340439 /nfs/dbraw/zinc/34/04/39/445340439.db2.gz ZJSTXGLGEZVXDY-JKSUJKDBSA-N 2 1 338.496 1.016 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2cccnc2)[C@H](C)C1 ZINC000348684327 445347401 /nfs/dbraw/zinc/34/74/01/445347401.db2.gz PCGRTQDPWHAFBN-NEWSRXKRSA-N 2 1 335.492 1.884 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[NH+](C)C1 ZINC000348703200 445349264 /nfs/dbraw/zinc/34/92/64/445349264.db2.gz NINVCXVFRNEYGP-RCCFBDPRSA-N 2 1 337.508 1.961 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)[N@H+](C)C1 ZINC000348703200 445349265 /nfs/dbraw/zinc/34/92/65/445349265.db2.gz NINVCXVFRNEYGP-RCCFBDPRSA-N 2 1 337.508 1.961 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)[N@@H+](C)C1 ZINC000348703200 445349268 /nfs/dbraw/zinc/34/92/68/445349268.db2.gz NINVCXVFRNEYGP-RCCFBDPRSA-N 2 1 337.508 1.961 20 0 EDADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000351904287 445365359 /nfs/dbraw/zinc/36/53/59/445365359.db2.gz GBLWHICAVYWNAR-HOTGVXAUSA-N 2 1 339.459 1.133 20 0 EDADMP C[C@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000359685059 445374353 /nfs/dbraw/zinc/37/43/53/445374353.db2.gz LEGXGNRFJIGHPU-BEFAXECRSA-N 2 1 347.528 1.987 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(Cc2ccccc2CO)CC1)C1CC1 ZINC000351966746 445405844 /nfs/dbraw/zinc/40/58/44/445405844.db2.gz DQWFQYRAFRLBSL-HXUWFJFHSA-N 2 1 332.488 1.889 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(Cc2ccccc2CO)CC1)C1CC1 ZINC000351966746 445405848 /nfs/dbraw/zinc/40/58/48/445405848.db2.gz DQWFQYRAFRLBSL-HXUWFJFHSA-N 2 1 332.488 1.889 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CCN(c2ccc(F)cc2)CC1 ZINC000359710505 445387109 /nfs/dbraw/zinc/38/71/09/445387109.db2.gz CEUQWSPHUAGVCJ-QFBILLFUSA-N 2 1 334.483 1.878 20 0 EDADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCOC(C)(C)C1 ZINC000351950600 445394573 /nfs/dbraw/zinc/39/45/73/445394573.db2.gz WOOAPGUPBNXWOF-MRXNPFEDSA-N 2 1 325.497 1.866 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000352075374 445475152 /nfs/dbraw/zinc/47/51/52/445475152.db2.gz SFQBDJSUQZKKTC-IAGOWNOFSA-N 2 1 339.505 1.693 20 0 EDADMP [NH3+]CCOCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000357108133 445433389 /nfs/dbraw/zinc/43/33/89/445433389.db2.gz SWEVYZLBMWKCJT-INIZCTEOSA-N 2 1 333.432 1.390 20 0 EDADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000357108133 445433393 /nfs/dbraw/zinc/43/33/93/445433393.db2.gz SWEVYZLBMWKCJT-INIZCTEOSA-N 2 1 333.432 1.390 20 0 EDADMP CN(C)c1nccc(N2C[C@H](F)C[C@@H]2C[N@H+](C)Cc2cc[nH]n2)n1 ZINC000354917834 445433554 /nfs/dbraw/zinc/43/35/54/445433554.db2.gz IALQQBGPFJMYDX-TZMCWYRMSA-N 2 1 333.415 1.315 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)c1cnn(C)c1 ZINC000357169216 445464338 /nfs/dbraw/zinc/46/43/38/445464338.db2.gz CHBRBICTYIFJEW-SJORKVTESA-N 2 1 335.496 1.553 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CCOC1C[NH2+]C1)c1ccccc1Cl ZINC000348992992 445468894 /nfs/dbraw/zinc/46/88/94/445468894.db2.gz PXIZQOXFDOSUTC-OAHLLOKOSA-N 2 1 325.840 1.437 20 0 EDADMP C[C@H]1CCC[N@H+](CCCCNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000352409854 445527663 /nfs/dbraw/zinc/52/76/63/445527663.db2.gz MGSHPFQEYWSZGP-INIZCTEOSA-N 2 1 333.480 2.237 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000352409854 445527668 /nfs/dbraw/zinc/52/76/68/445527668.db2.gz MGSHPFQEYWSZGP-INIZCTEOSA-N 2 1 333.480 2.237 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359925329 445491378 /nfs/dbraw/zinc/49/13/78/445491378.db2.gz RICDQQDIZLLAMP-ZACQAIPSSA-N 2 1 342.528 1.857 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359925329 445491382 /nfs/dbraw/zinc/49/13/82/445491382.db2.gz RICDQQDIZLLAMP-ZACQAIPSSA-N 2 1 342.528 1.857 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359925329 445491384 /nfs/dbraw/zinc/49/13/84/445491384.db2.gz RICDQQDIZLLAMP-ZACQAIPSSA-N 2 1 342.528 1.857 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359925329 445491389 /nfs/dbraw/zinc/49/13/89/445491389.db2.gz RICDQQDIZLLAMP-ZACQAIPSSA-N 2 1 342.528 1.857 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000362811412 445560914 /nfs/dbraw/zinc/56/09/14/445560914.db2.gz CFLUDIPFRIRHIT-INIZCTEOSA-N 2 1 333.476 1.931 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000362811412 445560919 /nfs/dbraw/zinc/56/09/19/445560919.db2.gz CFLUDIPFRIRHIT-INIZCTEOSA-N 2 1 333.476 1.931 20 0 EDADMP C[C@@H](Nc1cc[nH+]c(N2CCOCC2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000357681772 445575984 /nfs/dbraw/zinc/57/59/84/445575984.db2.gz BJJNRYQREIATIS-CRAIPNDOSA-N 2 1 341.459 2.417 20 0 EDADMP CC[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1C[C@H](C)O ZINC000362862848 445585782 /nfs/dbraw/zinc/58/57/82/445585782.db2.gz LDVUZUFZFSSNBH-DOTOQJQBSA-N 2 1 333.476 1.665 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355941537 445538752 /nfs/dbraw/zinc/53/87/52/445538752.db2.gz LLDANAFRWFMKJB-QGZVFWFLSA-N 2 1 342.528 1.857 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000357320645 445546282 /nfs/dbraw/zinc/54/62/82/445546282.db2.gz ZEKQWXZBESWTLT-MDZRGWNJSA-N 2 1 344.503 1.550 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000349501025 445599302 /nfs/dbraw/zinc/59/93/02/445599302.db2.gz PVNCPKHPRFVAPH-APWZRJJASA-N 2 1 325.460 1.792 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH+](C)C)[C@@H](C)C1 ZINC000353434369 445600414 /nfs/dbraw/zinc/60/04/14/445600414.db2.gz DGWKGQLZQMQSLJ-JYJNAYRXSA-N 2 1 328.501 1.373 20 0 EDADMP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CSC[NH2+]2)[C@H]1c1cccs1 ZINC000360181340 445615036 /nfs/dbraw/zinc/61/50/36/445615036.db2.gz BUUPWSFGWKWKKM-BZPMIXESSA-N 2 1 325.503 1.910 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CSC[NH2+]2)[C@H]1c1cccs1 ZINC000360181340 445615041 /nfs/dbraw/zinc/61/50/41/445615041.db2.gz BUUPWSFGWKWKKM-BZPMIXESSA-N 2 1 325.503 1.910 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000356219490 445681785 /nfs/dbraw/zinc/68/17/85/445681785.db2.gz FFIUYVGQZUFRHY-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CN1CC[NH+](C2(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CCCC2)CC1 ZINC000363137397 445692506 /nfs/dbraw/zinc/69/25/06/445692506.db2.gz YLPUKKCQSVBJLL-IAGOWNOFSA-N 2 1 336.524 1.536 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1)C(C)C ZINC000353686223 445706081 /nfs/dbraw/zinc/70/60/81/445706081.db2.gz FKPAMYIPBYTNNM-UHFFFAOYSA-N 2 1 349.479 1.652 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C2)C1 ZINC000356293115 445722351 /nfs/dbraw/zinc/72/23/51/445722351.db2.gz HMUQGTXZRBACOF-HKUYNNGSSA-N 2 1 335.492 1.574 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000358708694 445733092 /nfs/dbraw/zinc/73/30/92/445733092.db2.gz QRCZMHGBDNFCIX-DOTOQJQBSA-N 2 1 326.485 1.007 20 0 EDADMP Cc1nc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nc(N(C)C)n1 ZINC000360876976 445737204 /nfs/dbraw/zinc/73/72/04/445737204.db2.gz MPDLLTLNCPVOCJ-CZUORRHYSA-N 2 1 326.448 2.178 20 0 EDADMP CC[C@@H]1CN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000361009312 445743456 /nfs/dbraw/zinc/74/34/56/445743456.db2.gz JWQYSYFZZXUSLM-HUUCEWRRSA-N 2 1 335.496 1.947 20 0 EDADMP CC[C@@H]1CN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC[N@H+]1C[C@@H](C)O ZINC000361009312 445743460 /nfs/dbraw/zinc/74/34/60/445743460.db2.gz JWQYSYFZZXUSLM-HUUCEWRRSA-N 2 1 335.496 1.947 20 0 EDADMP CC[N@@H+](CCCO)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000361453786 445767540 /nfs/dbraw/zinc/76/75/40/445767540.db2.gz JJNFLAJICHOLAK-UHFFFAOYSA-N 2 1 333.476 1.603 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC[N@H+]1CCOC ZINC000358868285 445821082 /nfs/dbraw/zinc/82/10/82/445821082.db2.gz WARLSCSFPYRGPC-IAGOWNOFSA-N 2 1 337.439 1.437 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000363389260 445783531 /nfs/dbraw/zinc/78/35/31/445783531.db2.gz IMSARHJWNQPUNY-IAGOWNOFSA-N 2 1 338.496 1.413 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)NCC[N@H+](C)C3CC3)CC2)on1 ZINC000363401485 445789466 /nfs/dbraw/zinc/78/94/66/445789466.db2.gz WAOJDXMQVCJEAL-UHFFFAOYSA-N 2 1 349.479 1.683 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)NCC[N@@H+](C)C3CC3)CC2)on1 ZINC000363401485 445789470 /nfs/dbraw/zinc/78/94/70/445789470.db2.gz WAOJDXMQVCJEAL-UHFFFAOYSA-N 2 1 349.479 1.683 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@H]1C ZINC000361508110 445794329 /nfs/dbraw/zinc/79/43/29/445794329.db2.gz IVMFZSYYCTVDAZ-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP COCC[N@H+]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@H]1C ZINC000361508110 445794338 /nfs/dbraw/zinc/79/43/38/445794338.db2.gz IVMFZSYYCTVDAZ-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC000361508110 445794343 /nfs/dbraw/zinc/79/43/43/445794343.db2.gz IVMFZSYYCTVDAZ-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC000361508110 445794347 /nfs/dbraw/zinc/79/43/47/445794347.db2.gz IVMFZSYYCTVDAZ-SJORKVTESA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000363457267 445812839 /nfs/dbraw/zinc/81/28/39/445812839.db2.gz RRKFNZKRQLVIMD-AZUAARDMSA-N 2 1 331.504 1.854 20 0 EDADMP CC[NH+](CC)CCNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000369109084 445934238 /nfs/dbraw/zinc/93/42/38/445934238.db2.gz QADPQQVYDJMDIM-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H](C)[NH+](CC)CC)C[C@@H]1[NH+]1CCOCC1 ZINC000350733098 445891797 /nfs/dbraw/zinc/89/17/97/445891797.db2.gz XEQOHFCBXDGCMB-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000354088653 445895243 /nfs/dbraw/zinc/89/52/43/445895243.db2.gz SWAPRNZUAWZAOL-MRXNPFEDSA-N 2 1 336.480 1.649 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000354088653 445895248 /nfs/dbraw/zinc/89/52/48/445895248.db2.gz SWAPRNZUAWZAOL-MRXNPFEDSA-N 2 1 336.480 1.649 20 0 EDADMP COCC[C@@]1(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000361717834 445896072 /nfs/dbraw/zinc/89/60/72/445896072.db2.gz IZTDGSXXLRSOMJ-FQEVSTJZSA-N 2 1 345.487 1.567 20 0 EDADMP CCN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000372908277 445915832 /nfs/dbraw/zinc/91/58/32/445915832.db2.gz SQOZZLMMHVMFGR-CGTJXYLNSA-N 2 1 331.460 1.659 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000372997811 445967119 /nfs/dbraw/zinc/96/71/19/445967119.db2.gz KIXWEUQDJPCINF-SJLPKXTDSA-N 2 1 334.508 1.987 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000366040596 445977061 /nfs/dbraw/zinc/97/70/61/445977061.db2.gz MVPFYEAPKCNYQW-INIZCTEOSA-N 2 1 331.464 1.001 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C)C[NH+]1CCOCC1 ZINC000351212526 446009191 /nfs/dbraw/zinc/00/91/91/446009191.db2.gz HFHVDSSRTHHKEW-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C)C[NH+]1CCOCC1 ZINC000351212526 446009197 /nfs/dbraw/zinc/00/91/97/446009197.db2.gz HFHVDSSRTHHKEW-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)C2 ZINC000365083334 446012909 /nfs/dbraw/zinc/01/29/09/446012909.db2.gz SUYGQTKBTSLJQF-WFASDCNBSA-N 2 1 341.415 1.222 20 0 EDADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCCc2[nH+]ccn21 ZINC000354258391 446053610 /nfs/dbraw/zinc/05/36/10/446053610.db2.gz ZLCVJLITMHDHFR-HNNXBMFYSA-N 2 1 332.448 1.522 20 0 EDADMP C[NH2+]CCSCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000583629136 326107600 /nfs/dbraw/zinc/10/76/00/326107600.db2.gz PPEVLQDCBANKOX-UHFFFAOYSA-N 2 1 329.510 1.090 20 0 EDADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000583633669 326108893 /nfs/dbraw/zinc/10/88/93/326108893.db2.gz QWZGBNMABYENIO-IEBWSBKVSA-N 2 1 344.503 1.832 20 0 EDADMP [NH3+]C1CCC(OCC(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)CC1 ZINC000583861526 326153892 /nfs/dbraw/zinc/15/38/92/326153892.db2.gz KZMBUPQOCIQMKH-OFLPRAFFSA-N 2 1 335.423 1.585 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000583932762 326167993 /nfs/dbraw/zinc/16/79/93/326167993.db2.gz IKAWVBRRMWDYMR-YJBOKZPZSA-N 2 1 330.476 1.986 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000359236274 446068583 /nfs/dbraw/zinc/06/85/83/446068583.db2.gz ONNLGIDZFARACG-RBSFLKMASA-N 2 1 338.496 1.410 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000359236274 446068590 /nfs/dbraw/zinc/06/85/90/446068590.db2.gz ONNLGIDZFARACG-RBSFLKMASA-N 2 1 338.496 1.410 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2Cn2cccn2)CC1 ZINC000369331479 446079600 /nfs/dbraw/zinc/07/96/00/446079600.db2.gz XDZAEDBIMPOULB-SFHVURJKSA-N 2 1 347.507 1.727 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000351481320 446082672 /nfs/dbraw/zinc/08/26/72/446082672.db2.gz XHCQFWIMIPPQPU-XHSDSOJGSA-N 2 1 347.459 1.331 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000351481320 446082675 /nfs/dbraw/zinc/08/26/75/446082675.db2.gz XHCQFWIMIPPQPU-XHSDSOJGSA-N 2 1 347.459 1.331 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000373192728 446089320 /nfs/dbraw/zinc/08/93/20/446089320.db2.gz WANBEVVFQGANJD-GBESFXJTSA-N 2 1 344.503 1.895 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCCN3C(=O)c4ccccc4C3=O)C[C@H]12 ZINC000351497128 446102836 /nfs/dbraw/zinc/10/28/36/446102836.db2.gz SWIJLFYYQXAANO-RRQGHBQHSA-N 2 1 327.428 1.732 20 0 EDADMP COc1cc(C[C@H](CO)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1 ZINC000361964795 446112828 /nfs/dbraw/zinc/11/28/28/446112828.db2.gz CHYNSYNOVLLQIB-XIRDDKMYSA-N 2 1 336.476 1.927 20 0 EDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)[C@H]1C ZINC000354330860 446118406 /nfs/dbraw/zinc/11/84/06/446118406.db2.gz BEVXLBSVUHUXHL-SZMVWBNQSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC000354345747 446129704 /nfs/dbraw/zinc/12/97/04/446129704.db2.gz DIPKNOZQNVIJFH-ROUUACIJSA-N 2 1 337.508 1.724 20 0 EDADMP COCC[C@]1(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC[NH2+]C1 ZINC000366343716 446165082 /nfs/dbraw/zinc/16/50/82/446165082.db2.gz CQLSPBVSAFQWNU-GOSISDBHSA-N 2 1 325.497 1.773 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)[NH+]1CCN(C)CC1 ZINC000370015200 446175283 /nfs/dbraw/zinc/17/52/83/446175283.db2.gz BSZOMIKIMUEZCN-BZSNNMDCSA-N 2 1 336.524 1.249 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC[NH+](C)CC1 ZINC000370015200 446175291 /nfs/dbraw/zinc/17/52/91/446175291.db2.gz BSZOMIKIMUEZCN-BZSNNMDCSA-N 2 1 336.524 1.249 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC[NH+](C)CC1 ZINC000370015200 446175299 /nfs/dbraw/zinc/17/52/99/446175299.db2.gz BSZOMIKIMUEZCN-BZSNNMDCSA-N 2 1 336.524 1.249 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000354361650 446144825 /nfs/dbraw/zinc/14/48/25/446144825.db2.gz QWEONIQNKGNYND-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000354361650 446144834 /nfs/dbraw/zinc/14/48/34/446144834.db2.gz QWEONIQNKGNYND-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000354361650 446144841 /nfs/dbraw/zinc/14/48/41/446144841.db2.gz QWEONIQNKGNYND-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000354361650 446144847 /nfs/dbraw/zinc/14/48/47/446144847.db2.gz QWEONIQNKGNYND-OALUTQOASA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000354361651 446145325 /nfs/dbraw/zinc/14/53/25/446145325.db2.gz QWEONIQNKGNYND-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000354361651 446145327 /nfs/dbraw/zinc/14/53/27/446145327.db2.gz QWEONIQNKGNYND-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000354361651 446145329 /nfs/dbraw/zinc/14/53/29/446145329.db2.gz QWEONIQNKGNYND-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000354361651 446145330 /nfs/dbraw/zinc/14/53/30/446145330.db2.gz QWEONIQNKGNYND-RBUKOAKNSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000365339730 446157927 /nfs/dbraw/zinc/15/79/27/446157927.db2.gz MPGBRILSDBYBPQ-PVAVHDDUSA-N 2 1 338.496 1.269 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)C2)nc(C)[nH+]1 ZINC000366420756 446204279 /nfs/dbraw/zinc/20/42/79/446204279.db2.gz XKQOOXSOTYNDMB-VBNZEHGJSA-N 2 1 331.464 1.567 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000366488838 446235039 /nfs/dbraw/zinc/23/50/39/446235039.db2.gz KACBVAUGESJGID-KRWDZBQOSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)CC[C@H](O)C[N@H+]1CCN(C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000366497179 446237846 /nfs/dbraw/zinc/23/78/46/446237846.db2.gz ZFTHHORTACRBQO-BZSNNMDCSA-N 2 1 327.513 1.120 20 0 EDADMP CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000373501057 446239618 /nfs/dbraw/zinc/23/96/18/446239618.db2.gz MTSFLRQYWNFZQO-DLBZAZTESA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000373501057 446239624 /nfs/dbraw/zinc/23/96/24/446239624.db2.gz MTSFLRQYWNFZQO-DLBZAZTESA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000365525405 446241121 /nfs/dbraw/zinc/24/11/21/446241121.db2.gz HQMDUGPITWJFDY-OKZBNKHCSA-N 2 1 337.508 1.866 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000373590972 446274469 /nfs/dbraw/zinc/27/44/69/446274469.db2.gz FEXRICJWOARGTN-MRXNPFEDSA-N 2 1 331.464 1.380 20 0 EDADMP OC(C[NH+]1CC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000365712871 446311371 /nfs/dbraw/zinc/31/13/71/446311371.db2.gz PRTVSRQKOIABMI-WNRNVDISSA-N 2 1 338.492 1.064 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000417365793 446349806 /nfs/dbraw/zinc/34/98/06/446349806.db2.gz MNNQJNDLEWFLRV-LSDHHAIUSA-N 2 1 336.505 1.963 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NC2(C)CC[NH2+]CC2)[C@@H](C)C1 ZINC000417672277 446369343 /nfs/dbraw/zinc/36/93/43/446369343.db2.gz SFJBGXJCXXEKLV-JKSUJKDBSA-N 2 1 340.512 1.565 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)[C@@H](C)C1 ZINC000417674352 446369474 /nfs/dbraw/zinc/36/94/74/446369474.db2.gz ZBWKMNZDZJQAEK-YVSFHVDLSA-N 2 1 340.512 1.515 20 0 EDADMP C[NH2+]CCNC(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417682401 446370754 /nfs/dbraw/zinc/37/07/54/446370754.db2.gz LFBUPRSINDFJLM-KRWDZBQOSA-N 2 1 332.492 1.978 20 0 EDADMP C[C@H](CCNC(=O)NC[C@H]1C[NH2+]CCO1)[N@@H+](C)Cc1ccccc1 ZINC000417814108 446374403 /nfs/dbraw/zinc/37/44/03/446374403.db2.gz MXZCCOATXATQDD-NVXWUHKLSA-N 2 1 334.464 1.185 20 0 EDADMP CC[NH2+]CCNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418081305 446434766 /nfs/dbraw/zinc/43/47/66/446434766.db2.gz UZJUNYDPDJKTKP-INIZCTEOSA-N 2 1 336.505 1.513 20 0 EDADMP CC[NH2+]CCNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418081305 446434776 /nfs/dbraw/zinc/43/47/76/446434776.db2.gz UZJUNYDPDJKTKP-INIZCTEOSA-N 2 1 336.505 1.513 20 0 EDADMP CCNc1nc(N2CC[NH2+]C[C@](C)(F)C2)nc(NC(C)(C)C)[nH+]1 ZINC000420261371 446436516 /nfs/dbraw/zinc/43/65/16/446436516.db2.gz KRFWXCJREOOLDY-HNNXBMFYSA-N 2 1 325.436 1.074 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000418135214 446441216 /nfs/dbraw/zinc/44/12/16/446441216.db2.gz HRRZBRGOTPKYHK-ROUUACIJSA-N 2 1 346.475 1.185 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000418116598 446441346 /nfs/dbraw/zinc/44/13/46/446441346.db2.gz QOQOBYJNRJBYMV-RDJZCZTQSA-N 2 1 334.464 1.487 20 0 EDADMP C[NH2+][C@H]1CCN(CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C1 ZINC000420276172 446445417 /nfs/dbraw/zinc/44/54/17/446445417.db2.gz RFQHIBNSNJNEEG-IBGZPJMESA-N 2 1 344.503 1.323 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](CCCCC2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000420281919 446448705 /nfs/dbraw/zinc/44/87/05/446448705.db2.gz ATTSEQJROCBCOC-GOSISDBHSA-N 2 1 337.508 1.727 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]CC2(N)CCCCCC2)CC[NH2+]CC1 ZINC000423197901 446451277 /nfs/dbraw/zinc/45/12/77/446451277.db2.gz BWFZGEIQISVZDM-OAHLLOKOSA-N 2 1 325.497 1.949 20 0 EDADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000374813582 446404476 /nfs/dbraw/zinc/40/44/76/446404476.db2.gz FYOKPAPLURNEGI-MRXNPFEDSA-N 2 1 325.497 1.535 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418012127 446415540 /nfs/dbraw/zinc/41/55/40/446415540.db2.gz RTZJKABALPEISW-SZMVWBNQSA-N 2 1 330.476 1.887 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418039673 446422240 /nfs/dbraw/zinc/42/22/40/446422240.db2.gz USCXWEAEFFLGDO-MSOLQXFVSA-N 2 1 348.491 1.512 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)CC2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000370765846 446424637 /nfs/dbraw/zinc/42/46/37/446424637.db2.gz HESUBRILDRRIKU-IBGZPJMESA-N 2 1 344.503 1.481 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420293789 446457675 /nfs/dbraw/zinc/45/76/75/446457675.db2.gz NNQLWVMPQJXBHN-NSHDSACASA-N 2 1 330.354 1.387 20 0 EDADMP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420296890 446459594 /nfs/dbraw/zinc/45/95/94/446459594.db2.gz CLHITMRGUXXCBF-KSZLIROESA-N 2 1 333.476 1.250 20 0 EDADMP CCN(CC)C(=O)[C@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420296890 446459599 /nfs/dbraw/zinc/45/95/99/446459599.db2.gz CLHITMRGUXXCBF-KSZLIROESA-N 2 1 333.476 1.250 20 0 EDADMP OCC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cnn(Cc2ccccc2)c1 ZINC000420306229 446469660 /nfs/dbraw/zinc/46/96/60/446469660.db2.gz AENIXYFMMNFNAW-QGZVFWFLSA-N 2 1 328.460 1.725 20 0 EDADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423289463 446473957 /nfs/dbraw/zinc/47/39/57/446473957.db2.gz AXUFZWWVFYBZHQ-HNNXBMFYSA-N 2 1 325.478 1.819 20 0 EDADMP COc1ccccc1CCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420311555 446475392 /nfs/dbraw/zinc/47/53/92/446475392.db2.gz NOJPDVLKSRJCRP-QGZVFWFLSA-N 2 1 333.476 1.947 20 0 EDADMP CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420313859 446478899 /nfs/dbraw/zinc/47/88/99/446478899.db2.gz QAZMJXPABWBXPC-GFCCVEGCSA-N 2 1 339.461 1.924 20 0 EDADMP CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420313859 446478902 /nfs/dbraw/zinc/47/89/02/446478902.db2.gz QAZMJXPABWBXPC-GFCCVEGCSA-N 2 1 339.461 1.924 20 0 EDADMP C[NH2+]CCCNC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418282973 446482552 /nfs/dbraw/zinc/48/25/52/446482552.db2.gz ZGUVKHIZVXNCEJ-KRWDZBQOSA-N 2 1 333.480 1.687 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[NH2+]CC3)cc2F)CC1 ZINC000376416218 446483861 /nfs/dbraw/zinc/48/38/61/446483861.db2.gz NCELTAQJYIRYNZ-INIZCTEOSA-N 2 1 348.466 1.840 20 0 EDADMP CC(C)[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)[NH3+] ZINC000423316625 446485938 /nfs/dbraw/zinc/48/59/38/446485938.db2.gz AGJPNMKHSRMSOW-YJBOKZPZSA-N 2 1 333.476 1.754 20 0 EDADMP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000367050482 446489432 /nfs/dbraw/zinc/48/94/32/446489432.db2.gz POHWTIMBAQEYIS-MSOLQXFVSA-N 2 1 337.508 1.332 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CCCO1 ZINC000376428622 446491928 /nfs/dbraw/zinc/49/19/28/446491928.db2.gz PKIHCSMDJHAABQ-IRXDYDNUSA-N 2 1 336.480 1.143 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000420324126 446488981 /nfs/dbraw/zinc/48/89/81/446488981.db2.gz ZFHSSCLOJXEWSU-UGSOOPFHSA-N 2 1 333.432 1.149 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000420324126 446488989 /nfs/dbraw/zinc/48/89/89/446488989.db2.gz ZFHSSCLOJXEWSU-UGSOOPFHSA-N 2 1 333.432 1.149 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418314852 446495996 /nfs/dbraw/zinc/49/59/96/446495996.db2.gz JWNVURDPUZIVQN-AEFFLSMTSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418314852 446496000 /nfs/dbraw/zinc/49/60/00/446496000.db2.gz JWNVURDPUZIVQN-AEFFLSMTSA-N 2 1 330.476 1.902 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCOc1cccc(F)c1 ZINC000420326239 446493027 /nfs/dbraw/zinc/49/30/27/446493027.db2.gz JPWDWMALGYOOEP-JKSUJKDBSA-N 2 1 349.450 1.642 20 0 EDADMP O=C(NC[C@@H]1CCC[NH2+]C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000418311514 446494434 /nfs/dbraw/zinc/49/44/34/446494434.db2.gz FYMKBRYVHOPWLM-GOSISDBHSA-N 2 1 330.476 1.904 20 0 EDADMP COc1cccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420341529 446513783 /nfs/dbraw/zinc/51/37/83/446513783.db2.gz OSLVNKHKKLIEPJ-IRXDYDNUSA-N 2 1 331.460 1.633 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418364767 446515443 /nfs/dbraw/zinc/51/54/43/446515443.db2.gz OGJJJOICXYQCAT-QGZVFWFLSA-N 2 1 339.528 1.173 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423357568 446498599 /nfs/dbraw/zinc/49/85/99/446498599.db2.gz IKQYGIYIZJDMDY-KFWWJZLASA-N 2 1 333.480 1.727 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000418487604 446562759 /nfs/dbraw/zinc/56/27/59/446562759.db2.gz JTWBNFXORCHFKH-OWCLPIDISA-N 2 1 348.491 1.957 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000418487604 446562764 /nfs/dbraw/zinc/56/27/64/446562764.db2.gz JTWBNFXORCHFKH-OWCLPIDISA-N 2 1 348.491 1.957 20 0 EDADMP COCC[NH2+]CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418499434 446566201 /nfs/dbraw/zinc/56/62/01/446566201.db2.gz OCEYGSMJIXDYTJ-QGZVFWFLSA-N 2 1 334.464 1.138 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc2nsnc21 ZINC000420346603 446521155 /nfs/dbraw/zinc/52/11/55/446521155.db2.gz YWAVUKRWPLOSRD-QWHCGFSZSA-N 2 1 345.472 1.951 20 0 EDADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1F ZINC000420347297 446521635 /nfs/dbraw/zinc/52/16/35/446521635.db2.gz GJSGLXRIZFNMPZ-ZBFHGGJFSA-N 2 1 334.439 1.441 20 0 EDADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1F ZINC000420347297 446521641 /nfs/dbraw/zinc/52/16/41/446521641.db2.gz GJSGLXRIZFNMPZ-ZBFHGGJFSA-N 2 1 334.439 1.441 20 0 EDADMP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420348014 446523402 /nfs/dbraw/zinc/52/34/02/446523402.db2.gz JCIORVVONLFOSL-GOEBONIOSA-N 2 1 348.516 1.715 20 0 EDADMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420348014 446523408 /nfs/dbraw/zinc/52/34/08/446523408.db2.gz JCIORVVONLFOSL-GOEBONIOSA-N 2 1 348.516 1.715 20 0 EDADMP Cc1cc(NC(=O)CN2CC[C@H](CNc3cc(C)ccn3)C2)no1 ZINC000376482685 446524466 /nfs/dbraw/zinc/52/44/66/446524466.db2.gz CMWCDUGKJVNBOD-CQSZACIVSA-N 2 1 329.404 2.059 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418387312 446524707 /nfs/dbraw/zinc/52/47/07/446524707.db2.gz RALCUPMBRTWXHD-GOSISDBHSA-N 2 1 330.476 1.902 20 0 EDADMP c1cc(OCCC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc2c1OCO2 ZINC000420350570 446527332 /nfs/dbraw/zinc/52/73/32/446527332.db2.gz UANVIBRZTYHUPP-HNNXBMFYSA-N 2 1 333.432 1.164 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351288 446530528 /nfs/dbraw/zinc/53/05/28/446530528.db2.gz WKUQEOYZMJQNLH-ZBRFXRBCSA-N 2 1 336.524 1.295 20 0 EDADMP C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@@H](O)C[NH3+] ZINC000420352778 446531363 /nfs/dbraw/zinc/53/13/63/446531363.db2.gz MTAWLDYRLJVHIL-INIZCTEOSA-N 2 1 327.428 1.934 20 0 EDADMP CC(C)c1nc([C@@H]2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)no1 ZINC000420356620 446537267 /nfs/dbraw/zinc/53/72/67/446537267.db2.gz GPORXACYYKZKIX-CQSZACIVSA-N 2 1 335.452 1.194 20 0 EDADMP Cc1ccc(NCCCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)[nH+]c1 ZINC000423443837 446540974 /nfs/dbraw/zinc/54/09/74/446540974.db2.gz XMGIDDBCRZFMNP-INIZCTEOSA-N 2 1 342.447 1.743 20 0 EDADMP C[C@H](Cc1cnccn1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000453118838 446544696 /nfs/dbraw/zinc/54/46/96/446544696.db2.gz JAEPNBVEAOTNNL-APWZRJJASA-N 2 1 326.444 1.634 20 0 EDADMP C[C@H](Cc1cnccn1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000453118838 446544702 /nfs/dbraw/zinc/54/47/02/446544702.db2.gz JAEPNBVEAOTNNL-APWZRJJASA-N 2 1 326.444 1.634 20 0 EDADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000418460679 446552291 /nfs/dbraw/zinc/55/22/91/446552291.db2.gz KOPQQWPKBCRQQV-YOEHRIQHSA-N 2 1 334.464 1.352 20 0 EDADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420398073 446571816 /nfs/dbraw/zinc/57/18/16/446571816.db2.gz YJAIKSOJKMOOAB-CYBMUJFWSA-N 2 1 341.839 1.727 20 0 EDADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420398073 446571822 /nfs/dbraw/zinc/57/18/22/446571822.db2.gz YJAIKSOJKMOOAB-CYBMUJFWSA-N 2 1 341.839 1.727 20 0 EDADMP CCc1cccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000420397875 446572083 /nfs/dbraw/zinc/57/20/83/446572083.db2.gz GAIANKGXSNJGEB-MOPGFXCFSA-N 2 1 342.487 1.969 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418549845 446589265 /nfs/dbraw/zinc/58/92/65/446589265.db2.gz GACKOQPDQRXRTJ-KANFNMMFSA-N 2 1 342.487 1.900 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000418595787 446608143 /nfs/dbraw/zinc/60/81/43/446608143.db2.gz XGVDBSYXBHEERW-QZTJIDSGSA-N 2 1 330.476 1.826 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418662637 446638367 /nfs/dbraw/zinc/63/83/67/446638367.db2.gz DREABFDMSJNMBQ-ULQDDVLXSA-N 2 1 339.528 1.077 20 0 EDADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418665165 446640034 /nfs/dbraw/zinc/64/00/34/446640034.db2.gz BXZMHGRYCKEAMI-LTFXXXRZSA-N 2 1 340.471 1.368 20 0 EDADMP O=C([C@H]1CSC[NH2+]1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423747804 446676218 /nfs/dbraw/zinc/67/62/18/446676218.db2.gz QAAOPQQJCFKIHM-QGZVFWFLSA-N 2 1 333.501 1.816 20 0 EDADMP O=C([C@H]1CSC[NH2+]1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000423747804 446676224 /nfs/dbraw/zinc/67/62/24/446676224.db2.gz QAAOPQQJCFKIHM-QGZVFWFLSA-N 2 1 333.501 1.816 20 0 EDADMP C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000418668415 446641780 /nfs/dbraw/zinc/64/17/80/446641780.db2.gz GNUBMUHEIDYLEW-KBAYOESNSA-N 2 1 348.491 1.439 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC[C@@H]21 ZINC000418684093 446647237 /nfs/dbraw/zinc/64/72/37/446647237.db2.gz KPWMFDZQEJAWBC-HCXYKTFWSA-N 2 1 342.487 1.868 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418696915 446652207 /nfs/dbraw/zinc/65/22/07/446652207.db2.gz LBYRFMGNPKOKNE-ONIAQPFYSA-N 2 1 330.476 1.886 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000423728814 446663628 /nfs/dbraw/zinc/66/36/28/446663628.db2.gz MANHHNSRMASDPW-KRWDZBQOSA-N 2 1 331.460 1.729 20 0 EDADMP [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000375256432 446675211 /nfs/dbraw/zinc/67/52/11/446675211.db2.gz RBCQKDNEEMDSME-AKHDSKFASA-N 2 1 343.471 1.758 20 0 EDADMP [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000375256432 446675214 /nfs/dbraw/zinc/67/52/14/446675214.db2.gz RBCQKDNEEMDSME-AKHDSKFASA-N 2 1 343.471 1.758 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)C[C@H]2CCCO2)cc[nH+]1 ZINC000411607336 446624461 /nfs/dbraw/zinc/62/44/61/446624461.db2.gz CWAIUKUZNVOLOK-SOUVJXGZSA-N 2 1 337.443 1.570 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)C[C@H]2CCCO2)cc[nH+]1 ZINC000411607336 446624467 /nfs/dbraw/zinc/62/44/67/446624467.db2.gz CWAIUKUZNVOLOK-SOUVJXGZSA-N 2 1 337.443 1.570 20 0 EDADMP CO[C@@H](C)CC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371095509 446626706 /nfs/dbraw/zinc/62/67/06/446626706.db2.gz WAUGKDGXNUVGAJ-HNNXBMFYSA-N 2 1 325.497 1.724 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000423764686 446693037 /nfs/dbraw/zinc/69/30/37/446693037.db2.gz XTOKNYIRRQDLDK-FQEVSTJZSA-N 2 1 344.503 1.014 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC1 ZINC000371231376 446704862 /nfs/dbraw/zinc/70/48/62/446704862.db2.gz VWYQIHAKACBWIS-SFHVURJKSA-N 2 1 336.524 1.347 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000371231376 446704870 /nfs/dbraw/zinc/70/48/70/446704870.db2.gz VWYQIHAKACBWIS-SFHVURJKSA-N 2 1 336.524 1.347 20 0 EDADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000371231376 446704873 /nfs/dbraw/zinc/70/48/73/446704873.db2.gz VWYQIHAKACBWIS-SFHVURJKSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@H+](C2CCC2)C1 ZINC000418805695 446713065 /nfs/dbraw/zinc/71/30/65/446713065.db2.gz XYPMSBMVGCMHDC-LUKYLMHMSA-N 2 1 334.508 1.890 20 0 EDADMP C[C@H](NC(=O)CCOC1C[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423882857 446739569 /nfs/dbraw/zinc/73/95/69/446739569.db2.gz XINCXCKDQLKARK-DOTOQJQBSA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000423826540 446716178 /nfs/dbraw/zinc/71/61/78/446716178.db2.gz OZQACLNROZHHDO-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[C@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000423826540 446716186 /nfs/dbraw/zinc/71/61/86/446716186.db2.gz OZQACLNROZHHDO-RBUKOAKNSA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000376794459 446723298 /nfs/dbraw/zinc/72/32/98/446723298.db2.gz NZKFOPIFYTWUOT-GOSISDBHSA-N 2 1 330.476 1.894 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000376794459 446723303 /nfs/dbraw/zinc/72/33/03/446723303.db2.gz NZKFOPIFYTWUOT-GOSISDBHSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C[C@H]1C ZINC000368231084 446725124 /nfs/dbraw/zinc/72/51/24/446725124.db2.gz IKEDILMLOKKQOK-JKIFEVAISA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C[C@H]1C ZINC000368231084 446725127 /nfs/dbraw/zinc/72/51/27/446725127.db2.gz IKEDILMLOKKQOK-JKIFEVAISA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC000368231084 446725129 /nfs/dbraw/zinc/72/51/29/446725129.db2.gz IKEDILMLOKKQOK-JKIFEVAISA-N 2 1 329.460 1.112 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC000368231084 446725133 /nfs/dbraw/zinc/72/51/33/446725133.db2.gz IKEDILMLOKKQOK-JKIFEVAISA-N 2 1 329.460 1.112 20 0 EDADMP COCC[C@]1(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000423846366 446729967 /nfs/dbraw/zinc/72/99/67/446729967.db2.gz PBNHSZYVLOHDIW-VQIMIIECSA-N 2 1 333.476 1.639 20 0 EDADMP CCCCCC[C@@H](O)C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375338439 446733116 /nfs/dbraw/zinc/73/31/16/446733116.db2.gz YEEFQUVLABWLIE-LJQANCHMSA-N 2 1 341.540 1.658 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC000376841601 446747732 /nfs/dbraw/zinc/74/77/32/446747732.db2.gz ZYXPUOMEWGCKJV-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+]1CCCC[C@H]1CCN1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000375390622 446766113 /nfs/dbraw/zinc/76/61/13/446766113.db2.gz HQJCXSUNNKGUIP-IRXDYDNUSA-N 2 1 343.537 1.102 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000423927493 446778390 /nfs/dbraw/zinc/77/83/90/446778390.db2.gz GEZPWWJNGARUEI-JKIFEVAISA-N 2 1 333.480 1.402 20 0 EDADMP C[C@@H](O)COC(=O)CC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375459392 446815241 /nfs/dbraw/zinc/81/52/41/446815241.db2.gz KFYHQTRDPYAWJF-SZVBFZGTSA-N 2 1 334.460 1.973 20 0 EDADMP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368377743 446823655 /nfs/dbraw/zinc/82/36/55/446823655.db2.gz NTWXZSNSIHDIAU-GVDBMIGSSA-N 2 1 331.485 1.597 20 0 EDADMP C[C@@H](CNC(=O)N(C)[C@H]1CCN2CCO[C@H]1C2)[N@H+]1CCCC[C@H]1C ZINC000454252424 446826753 /nfs/dbraw/zinc/82/67/53/446826753.db2.gz DHFIFDLDKVXVQM-QZWWFDLISA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368384607 446827072 /nfs/dbraw/zinc/82/70/72/446827072.db2.gz WUXWXVGTFYGQLA-WBVHZDCISA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368384607 446827078 /nfs/dbraw/zinc/82/70/78/446827078.db2.gz WUXWXVGTFYGQLA-WBVHZDCISA-N 2 1 339.528 1.137 20 0 EDADMP CCCCN1CCOC[C@H]1C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000376933338 446805103 /nfs/dbraw/zinc/80/51/03/446805103.db2.gz PTROCLUXLQUTGD-BBWFWOEESA-N 2 1 341.496 1.055 20 0 EDADMP CCCCN1CCOC[C@H]1C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000376933338 446805108 /nfs/dbraw/zinc/80/51/08/446805108.db2.gz PTROCLUXLQUTGD-BBWFWOEESA-N 2 1 341.496 1.055 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000419018053 446869290 /nfs/dbraw/zinc/86/92/90/446869290.db2.gz BKVBXTYCBOSXLO-AWEZNQCLSA-N 2 1 340.512 1.056 20 0 EDADMP CCN(C(=O)C[NH2+]CCOC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368453921 446871139 /nfs/dbraw/zinc/87/11/39/446871139.db2.gz NJOVKQRLUOZKLQ-AEFFLSMTSA-N 2 1 333.476 1.906 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])C[C@@H](C)O1 ZINC000424452229 446872616 /nfs/dbraw/zinc/87/26/16/446872616.db2.gz HFSULJAPLASSMN-KBUPBQIOSA-N 2 1 326.485 1.443 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420896040 446875254 /nfs/dbraw/zinc/87/52/54/446875254.db2.gz UXIUNTXJKIPEAW-FHERZECASA-N 2 1 340.512 1.346 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000419035084 446878396 /nfs/dbraw/zinc/87/83/96/446878396.db2.gz YSMVCKNVMJMDPN-IRXDYDNUSA-N 2 1 346.475 1.141 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000419048330 446883704 /nfs/dbraw/zinc/88/37/04/446883704.db2.gz VLGBHTXJECMMOP-HLLBOEOZSA-N 2 1 346.475 1.052 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccc(F)cc1)C2 ZINC000371491199 446889928 /nfs/dbraw/zinc/88/99/28/446889928.db2.gz MKFBVTQSCAIIRJ-CZUORRHYSA-N 2 1 330.407 1.940 20 0 EDADMP CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420925068 446895577 /nfs/dbraw/zinc/89/55/77/446895577.db2.gz VIRDJOXQEONZHT-OALUTQOASA-N 2 1 334.460 1.802 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1C ZINC000442610685 446915273 /nfs/dbraw/zinc/91/52/73/446915273.db2.gz PWJFECPNSILNND-HOTGVXAUSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000442610685 446915282 /nfs/dbraw/zinc/91/52/82/446915282.db2.gz PWJFECPNSILNND-HOTGVXAUSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000442610685 446915287 /nfs/dbraw/zinc/91/52/87/446915287.db2.gz PWJFECPNSILNND-HOTGVXAUSA-N 2 1 339.528 1.137 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000371765474 446959718 /nfs/dbraw/zinc/95/97/18/446959718.db2.gz LGGDWJKUJIBBLM-ULQDDVLXSA-N 2 1 338.496 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371765474 446959722 /nfs/dbraw/zinc/95/97/22/446959722.db2.gz LGGDWJKUJIBBLM-ULQDDVLXSA-N 2 1 338.496 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371765474 446959726 /nfs/dbraw/zinc/95/97/26/446959726.db2.gz LGGDWJKUJIBBLM-ULQDDVLXSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000442766549 446959934 /nfs/dbraw/zinc/95/99/34/446959934.db2.gz WWJUCWPRRVHACQ-BRWVUGGUSA-N 2 1 330.476 1.298 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000442766549 446959937 /nfs/dbraw/zinc/95/99/37/446959937.db2.gz WWJUCWPRRVHACQ-BRWVUGGUSA-N 2 1 330.476 1.298 20 0 EDADMP CCCCNC(=O)[C@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420986090 446963271 /nfs/dbraw/zinc/96/32/71/446963271.db2.gz XSEFUVPCNSIRDE-KRWDZBQOSA-N 2 1 338.540 1.783 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442777111 446965525 /nfs/dbraw/zinc/96/55/25/446965525.db2.gz CQARQCICINYMIN-JKSUJKDBSA-N 2 1 333.476 1.897 20 0 EDADMP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442777111 446965531 /nfs/dbraw/zinc/96/55/31/446965531.db2.gz CQARQCICINYMIN-JKSUJKDBSA-N 2 1 333.476 1.897 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000442777286 446966279 /nfs/dbraw/zinc/96/62/79/446966279.db2.gz DEPBGKFGPXAZMS-HBVLHIRESA-N 2 1 348.491 1.450 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000442777286 446966285 /nfs/dbraw/zinc/96/62/85/446966285.db2.gz DEPBGKFGPXAZMS-HBVLHIRESA-N 2 1 348.491 1.450 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419214471 447014577 /nfs/dbraw/zinc/01/45/77/447014577.db2.gz MPXAPWMUKTUXIF-UHFFFAOYSA-N 2 1 346.475 1.093 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000419222545 447017171 /nfs/dbraw/zinc/01/71/71/447017171.db2.gz XODHNUMGMMRGMB-KRWDZBQOSA-N 2 1 348.491 1.243 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419173349 446989858 /nfs/dbraw/zinc/98/98/58/446989858.db2.gz SKLXGSDFYSITQT-HOTGVXAUSA-N 2 1 338.496 1.016 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443059136 447002250 /nfs/dbraw/zinc/00/22/50/447002250.db2.gz MCIAXKLYNWTZEH-HNNXBMFYSA-N 2 1 349.475 1.723 20 0 EDADMP CC(C)N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)C1=O ZINC000372353260 447044758 /nfs/dbraw/zinc/04/47/58/447044758.db2.gz DJTNBRDKWUIWMP-OWSLCNJRSA-N 2 1 337.508 1.865 20 0 EDADMP CC(C)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)C1=O ZINC000372353260 447044765 /nfs/dbraw/zinc/04/47/65/447044765.db2.gz DJTNBRDKWUIWMP-OWSLCNJRSA-N 2 1 337.508 1.865 20 0 EDADMP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000368711332 447058222 /nfs/dbraw/zinc/05/82/22/447058222.db2.gz DDDBCYGDMZBQDN-HUUCEWRRSA-N 2 1 349.504 1.071 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)oc1C ZINC000444168535 447086142 /nfs/dbraw/zinc/08/61/42/447086142.db2.gz OZFYAFNXXMMAMY-QFBILLFUSA-N 2 1 346.475 1.619 20 0 EDADMP CC(C)Cn1ccnc1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000377359995 447087937 /nfs/dbraw/zinc/08/79/37/447087937.db2.gz NLVIAIGDHUMUSO-HZPDHXFCSA-N 2 1 349.479 1.544 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)N3C[C@H](C)O[C@@H](C)C3)C2)c1 ZINC000377488001 447158831 /nfs/dbraw/zinc/15/88/31/447158831.db2.gz KMGMRNTUKPIIND-ULQDDVLXSA-N 2 1 346.475 1.760 20 0 EDADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC000377487997 447159554 /nfs/dbraw/zinc/15/95/54/447159554.db2.gz KMGMRNTUKPIIND-IXDOHACOSA-N 2 1 346.475 1.760 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000425462264 447174725 /nfs/dbraw/zinc/17/47/25/447174725.db2.gz DTEKGDKNSUGGJJ-HOCLYGCPSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)CC1 ZINC000375962802 447177711 /nfs/dbraw/zinc/17/77/11/447177711.db2.gz PIKGZWISNBBHOB-ZWKOTPCHSA-N 2 1 325.497 1.282 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000368885486 447179397 /nfs/dbraw/zinc/17/93/97/447179397.db2.gz LIJZUCXYKZRWHB-DLBZAZTESA-N 2 1 332.448 1.733 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C)C[N@H+]1CCO ZINC000419452368 447186646 /nfs/dbraw/zinc/18/66/46/447186646.db2.gz OZXWRFCQAZHOLX-OWCLPIDISA-N 2 1 342.528 1.449 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425452999 447171678 /nfs/dbraw/zinc/17/16/78/447171678.db2.gz YFVQMNSQDCCYTM-OAHLLOKOSA-N 2 1 328.501 1.469 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000425634657 447248536 /nfs/dbraw/zinc/24/85/36/447248536.db2.gz CVZDVZKWESOSQW-YESZJQIVSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000425634657 447248540 /nfs/dbraw/zinc/24/85/40/447248540.db2.gz CVZDVZKWESOSQW-YESZJQIVSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000425634657 447248546 /nfs/dbraw/zinc/24/85/46/447248546.db2.gz CVZDVZKWESOSQW-YESZJQIVSA-N 2 1 338.496 1.079 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@@H+]2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000377619042 447248884 /nfs/dbraw/zinc/24/88/84/447248884.db2.gz CWZZMGDZUMGLEH-FZKQIMNGSA-N 2 1 328.416 1.554 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@H+]2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000377619042 447248890 /nfs/dbraw/zinc/24/88/90/447248890.db2.gz CWZZMGDZUMGLEH-FZKQIMNGSA-N 2 1 328.416 1.554 20 0 EDADMP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)n2)CC1 ZINC000376041140 447228667 /nfs/dbraw/zinc/22/86/67/447228667.db2.gz FIUXXKIFNNZVOW-HOCLYGCPSA-N 2 1 346.479 1.708 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000419511222 447233775 /nfs/dbraw/zinc/23/37/75/447233775.db2.gz HWBVUKDLGVVKFG-ARFHVFGLSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419511222 447233781 /nfs/dbraw/zinc/23/37/81/447233781.db2.gz HWBVUKDLGVVKFG-ARFHVFGLSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419511222 447233790 /nfs/dbraw/zinc/23/37/90/447233790.db2.gz HWBVUKDLGVVKFG-ARFHVFGLSA-N 2 1 328.501 1.203 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)[NH+](C)C ZINC000425590568 447239738 /nfs/dbraw/zinc/23/97/38/447239738.db2.gz RTYYJPXVDYQMMB-RYQLBKOJSA-N 2 1 330.476 1.852 20 0 EDADMP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000369046771 447285764 /nfs/dbraw/zinc/28/57/64/447285764.db2.gz IMONEYQHDYFPDX-IAGOWNOFSA-N 2 1 338.496 1.223 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000372816099 447299448 /nfs/dbraw/zinc/29/94/48/447299448.db2.gz XKSOIJBNVIVSJG-QAPCUYQASA-N 2 1 339.443 1.724 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000372816099 447299452 /nfs/dbraw/zinc/29/94/52/447299452.db2.gz XKSOIJBNVIVSJG-QAPCUYQASA-N 2 1 339.443 1.724 20 0 EDADMP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458719768 447461485 /nfs/dbraw/zinc/46/14/85/447461485.db2.gz BAEOZMBHQYHAGM-KLAILNCOSA-N 2 1 338.496 1.149 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458724733 447462723 /nfs/dbraw/zinc/46/27/23/447462723.db2.gz BOCFCKNJIOZFGP-HZPDHXFCSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458724733 447462727 /nfs/dbraw/zinc/46/27/27/447462727.db2.gz BOCFCKNJIOZFGP-HZPDHXFCSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458724733 447462730 /nfs/dbraw/zinc/46/27/30/447462730.db2.gz BOCFCKNJIOZFGP-HZPDHXFCSA-N 2 1 340.512 1.253 20 0 EDADMP CCOC(=O)C[C@@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383156569 447465394 /nfs/dbraw/zinc/46/53/94/447465394.db2.gz NAHYQDKBVPVSJG-ZWKOTPCHSA-N 2 1 334.460 1.754 20 0 EDADMP CCOC(=O)C[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383156569 447465398 /nfs/dbraw/zinc/46/53/98/447465398.db2.gz NAHYQDKBVPVSJG-ZWKOTPCHSA-N 2 1 334.460 1.754 20 0 EDADMP CCOC(=O)C[C@@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383156569 447465402 /nfs/dbraw/zinc/46/54/02/447465402.db2.gz NAHYQDKBVPVSJG-ZWKOTPCHSA-N 2 1 334.460 1.754 20 0 EDADMP CCOC(=O)C[C@@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383156569 447465406 /nfs/dbraw/zinc/46/54/06/447465406.db2.gz NAHYQDKBVPVSJG-ZWKOTPCHSA-N 2 1 334.460 1.754 20 0 EDADMP COC[C@@]1(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000388488633 447479231 /nfs/dbraw/zinc/47/92/31/447479231.db2.gz LUHDKSUETPILQT-UYAOXDASSA-N 2 1 345.487 1.736 20 0 EDADMP O=C(NCCC[NH2+]C1CCCCC1)NCC[N@H+]1CCCOCC1 ZINC000458838876 447486963 /nfs/dbraw/zinc/48/69/63/447486963.db2.gz IIFJMBIYTISGCG-UHFFFAOYSA-N 2 1 326.485 1.320 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](OC)C1CC1 ZINC000458845695 447488313 /nfs/dbraw/zinc/48/83/13/447488313.db2.gz DJFQLHPIPSCDPP-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390866132 447504262 /nfs/dbraw/zinc/50/42/62/447504262.db2.gz NWCRWFGIOFJQON-IAGOWNOFSA-N 2 1 333.476 1.767 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000392138000 447521694 /nfs/dbraw/zinc/52/16/94/447521694.db2.gz DWKHZDMFDXYMJR-ZWKOTPCHSA-N 2 1 332.492 1.117 20 0 EDADMP CC(=O)[C@](C)(O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000450391086 447475162 /nfs/dbraw/zinc/47/51/62/447475162.db2.gz LQUNSDJHPICFQR-LJQANCHMSA-N 2 1 333.476 1.076 20 0 EDADMP CC(=O)[C@](C)(O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000450391086 447475169 /nfs/dbraw/zinc/47/51/69/447475169.db2.gz LQUNSDJHPICFQR-LJQANCHMSA-N 2 1 333.476 1.076 20 0 EDADMP C[C@H](O)CCC[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000450809151 447582865 /nfs/dbraw/zinc/58/28/65/447582865.db2.gz JQANJQPMNDQEOU-KKUMJFAQSA-N 2 1 339.459 1.552 20 0 EDADMP C[C@H](O)CCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000450809151 447582869 /nfs/dbraw/zinc/58/28/69/447582869.db2.gz JQANJQPMNDQEOU-KKUMJFAQSA-N 2 1 339.459 1.552 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000427347420 447584689 /nfs/dbraw/zinc/58/46/89/447584689.db2.gz OIRCBRPMOYDZFK-SOLBZPMBSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000427347420 447584694 /nfs/dbraw/zinc/58/46/94/447584694.db2.gz OIRCBRPMOYDZFK-SOLBZPMBSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000427347420 447584698 /nfs/dbraw/zinc/58/46/98/447584698.db2.gz OIRCBRPMOYDZFK-SOLBZPMBSA-N 2 1 337.508 1.819 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CCCC3(CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000495915419 447639988 /nfs/dbraw/zinc/63/99/88/447639988.db2.gz XQQOKOIVWRDNRB-LJQANCHMSA-N 2 1 349.475 1.753 20 0 EDADMP COCCCN(C(=O)[C@H]1CCCc2[nH+]ccn21)C1CC[NH+](C)CC1 ZINC000427767820 447644785 /nfs/dbraw/zinc/64/47/85/447644785.db2.gz QFLWFJLNICITNX-MRXNPFEDSA-N 2 1 334.464 1.720 20 0 EDADMP C[C@@H]1CN(CCN2CC[NH2+]CC2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000404317329 447599219 /nfs/dbraw/zinc/59/92/19/447599219.db2.gz HTPJPYKCLKICCK-GUDVDZBRSA-N 2 1 330.520 1.875 20 0 EDADMP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000404317329 447599226 /nfs/dbraw/zinc/59/92/26/447599226.db2.gz HTPJPYKCLKICCK-GUDVDZBRSA-N 2 1 330.520 1.875 20 0 EDADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000404317329 447599233 /nfs/dbraw/zinc/59/92/33/447599233.db2.gz HTPJPYKCLKICCK-GUDVDZBRSA-N 2 1 330.520 1.875 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000457567873 447599340 /nfs/dbraw/zinc/59/93/40/447599340.db2.gz FIFGEAJIHYDWHO-BBWFWOEESA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000457567873 447599349 /nfs/dbraw/zinc/59/93/49/447599349.db2.gz FIFGEAJIHYDWHO-BBWFWOEESA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000457567873 447599358 /nfs/dbraw/zinc/59/93/58/447599358.db2.gz FIFGEAJIHYDWHO-BBWFWOEESA-N 2 1 340.512 1.610 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1C[C@H](C)O ZINC000459164328 447602492 /nfs/dbraw/zinc/60/24/92/447602492.db2.gz RCWAXFBDLIQEGK-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1C[C@H](C)O ZINC000459164328 447602494 /nfs/dbraw/zinc/60/24/94/447602494.db2.gz RCWAXFBDLIQEGK-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1C[C@H](C)O ZINC000459164328 447602495 /nfs/dbraw/zinc/60/24/95/447602495.db2.gz RCWAXFBDLIQEGK-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H]1CCC[C@@](CNC(=O)N2CC[N@H+](CCO)C[C@H]2C)([NH+](C)C)C1 ZINC000458002662 447693977 /nfs/dbraw/zinc/69/39/77/447693977.db2.gz NELDOEXZJJXUFM-JFIYKMOQSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1CCC[C@@](CNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)([NH+](C)C)C1 ZINC000458002662 447693985 /nfs/dbraw/zinc/69/39/85/447693985.db2.gz NELDOEXZJJXUFM-JFIYKMOQSA-N 2 1 340.512 1.205 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)[C@@H]1SC ZINC000459412755 447656223 /nfs/dbraw/zinc/65/62/23/447656223.db2.gz RSCOMWVLIPISPC-BBWFWOEESA-N 2 1 329.554 1.759 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCC2(CC[NH2+]2)CC1 ZINC000422589331 447658133 /nfs/dbraw/zinc/65/81/33/447658133.db2.gz JAWGPPAFGYOCED-UHFFFAOYSA-N 2 1 328.460 1.582 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000427917035 447670336 /nfs/dbraw/zinc/67/03/36/447670336.db2.gz OAILFOAFOJYHOJ-LSDHHAIUSA-N 2 1 325.497 1.865 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422626202 447675770 /nfs/dbraw/zinc/67/57/70/447675770.db2.gz DJQFSZBBAUZMJW-ULQDDVLXSA-N 2 1 333.476 1.795 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422626202 447675774 /nfs/dbraw/zinc/67/57/74/447675774.db2.gz DJQFSZBBAUZMJW-ULQDDVLXSA-N 2 1 333.476 1.795 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCCOc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000422640700 447683689 /nfs/dbraw/zinc/68/36/89/447683689.db2.gz VVPSSGQGNCHLMP-KFWWJZLASA-N 2 1 337.439 1.626 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCCOc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000422640700 447683693 /nfs/dbraw/zinc/68/36/93/447683693.db2.gz VVPSSGQGNCHLMP-KFWWJZLASA-N 2 1 337.439 1.626 20 0 EDADMP C[NH2+]CC1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000416919655 447710240 /nfs/dbraw/zinc/71/02/40/447710240.db2.gz LNIVSWPHUWRASR-GJZGRUSLSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC(C)(C)CCC[NH3+])C[C@@H](C)O1 ZINC000416935169 447714963 /nfs/dbraw/zinc/71/49/63/447714963.db2.gz WDMLVKOEKVOIJB-ZIAGYGMSSA-N 2 1 328.501 1.691 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416947441 447721869 /nfs/dbraw/zinc/72/18/69/447721869.db2.gz YBURIJADBFYSDE-OAGGEKHMSA-N 2 1 326.485 1.112 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416947444 447722559 /nfs/dbraw/zinc/72/25/59/447722559.db2.gz YBURIJADBFYSDE-OWCLPIDISA-N 2 1 326.485 1.112 20 0 EDADMP CC[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000417004534 447729866 /nfs/dbraw/zinc/72/98/66/447729866.db2.gz CNPDEYIMPJFVMY-WBAXXEDZSA-N 2 1 330.476 1.954 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000417104032 447734868 /nfs/dbraw/zinc/73/48/68/447734868.db2.gz DTIDMIDIRALXSI-NFAWXSAZSA-N 2 1 336.505 1.792 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000417104032 447734871 /nfs/dbraw/zinc/73/48/71/447734871.db2.gz DTIDMIDIRALXSI-NFAWXSAZSA-N 2 1 336.505 1.792 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000417109617 447735083 /nfs/dbraw/zinc/73/50/83/447735083.db2.gz KRMMNHNHIDCDHR-IHRRRGAJSA-N 2 1 336.505 1.887 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)[N@H+]1CCc2sccc2C1 ZINC000417109617 447735088 /nfs/dbraw/zinc/73/50/88/447735088.db2.gz KRMMNHNHIDCDHR-IHRRRGAJSA-N 2 1 336.505 1.887 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000417105683 447735252 /nfs/dbraw/zinc/73/52/52/447735252.db2.gz GQMZCHRBYONIBS-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000417105683 447735258 /nfs/dbraw/zinc/73/52/58/447735258.db2.gz GQMZCHRBYONIBS-UKRRQHHQSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417272802 447740163 /nfs/dbraw/zinc/74/01/63/447740163.db2.gz VTORKXPCBOLUBB-HUUCEWRRSA-N 2 1 334.464 1.301 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417272802 447740165 /nfs/dbraw/zinc/74/01/65/447740165.db2.gz VTORKXPCBOLUBB-HUUCEWRRSA-N 2 1 334.464 1.301 20 0 EDADMP CC[N@@H+](CCNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1)C(C)C ZINC000458198877 447743011 /nfs/dbraw/zinc/74/30/11/447743011.db2.gz HZZINDSFBUBVKA-UHFFFAOYSA-N 2 1 341.544 1.432 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000458198877 447743013 /nfs/dbraw/zinc/74/30/13/447743013.db2.gz HZZINDSFBUBVKA-UHFFFAOYSA-N 2 1 341.544 1.432 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[N@@H+](CC)C(C)C)CC1 ZINC000458198877 447743015 /nfs/dbraw/zinc/74/30/15/447743015.db2.gz HZZINDSFBUBVKA-UHFFFAOYSA-N 2 1 341.544 1.432 20 0 EDADMP C[C@H]1C[NH+](C[C@@H](O)CN2CC[N@H+](C3CCC3)C[C@H](C)C2)C[C@H](C)O1 ZINC000429375884 447745797 /nfs/dbraw/zinc/74/57/97/447745797.db2.gz IEKWCLGMTNVOQX-DFEOGRTESA-N 2 1 339.524 1.263 20 0 EDADMP COCCC[N@H+](C)CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790787 447751429 /nfs/dbraw/zinc/75/14/29/447751429.db2.gz XYOFULPXMUCNER-IEBWSBKVSA-N 2 1 333.476 1.800 20 0 EDADMP COCCC[N@@H+](C)CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790787 447751432 /nfs/dbraw/zinc/75/14/32/447751432.db2.gz XYOFULPXMUCNER-IEBWSBKVSA-N 2 1 333.476 1.800 20 0 EDADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCN1CCOCC1 ZINC000471875779 447815825 /nfs/dbraw/zinc/81/58/25/447815825.db2.gz XLCVJUMKPRHVFB-PMACEKPBSA-N 2 1 331.504 1.991 20 0 EDADMP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422843330 447767071 /nfs/dbraw/zinc/76/70/71/447767071.db2.gz HWRKYXAWPLFOFN-MOPGFXCFSA-N 3 1 331.508 1.714 20 0 EDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000430556164 447777518 /nfs/dbraw/zinc/77/75/18/447777518.db2.gz UFMBRDNICBIVHC-OWCLPIDISA-N 2 1 349.475 1.636 20 0 EDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000430556164 447777521 /nfs/dbraw/zinc/77/75/21/447777521.db2.gz UFMBRDNICBIVHC-OWCLPIDISA-N 2 1 349.475 1.636 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000430555079 447777659 /nfs/dbraw/zinc/77/76/59/447777659.db2.gz RJSAFUBLRMGOHY-ROUUACIJSA-N 2 1 344.503 1.703 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000430555079 447777662 /nfs/dbraw/zinc/77/76/62/447777662.db2.gz RJSAFUBLRMGOHY-ROUUACIJSA-N 2 1 344.503 1.703 20 0 EDADMP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000423031876 447794863 /nfs/dbraw/zinc/79/48/63/447794863.db2.gz LMWIFTYUAPHJOQ-NSISKUIASA-N 2 1 347.503 1.500 20 0 EDADMP CN1C[C@H](C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)OC1=O ZINC000496536208 447811558 /nfs/dbraw/zinc/81/15/58/447811558.db2.gz ALSUCTZQKIDVKK-CQSZACIVSA-N 2 1 326.400 1.807 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)c2ccccc2C[NH+](C)C)CCCO1 ZINC000487645273 447835655 /nfs/dbraw/zinc/83/56/55/447835655.db2.gz WCACJUZSOXYFEZ-MRXNPFEDSA-N 2 1 333.476 1.979 20 0 EDADMP COCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[C@@H]1C ZINC000487995074 447840034 /nfs/dbraw/zinc/84/00/34/447840034.db2.gz ZKCGQZZVBCNOEV-MAUKXSAKSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000523051178 447869507 /nfs/dbraw/zinc/86/95/07/447869507.db2.gz IEQUKINEDREQFL-SFHVURJKSA-N 2 1 330.476 1.752 20 0 EDADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497134036 447880631 /nfs/dbraw/zinc/88/06/31/447880631.db2.gz RLDLEZVFKLOUIB-RHSMWYFYSA-N 2 1 329.485 1.584 20 0 EDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000570026535 447935351 /nfs/dbraw/zinc/93/53/51/447935351.db2.gz CHFOLBDQJBTUQE-PMPSAXMXSA-N 2 1 333.480 1.816 20 0 EDADMP CC(C)(C)OC(=O)NCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000497278568 448032391 /nfs/dbraw/zinc/03/23/91/448032391.db2.gz MCNHOPZBYMGLBY-LBPRGKRZSA-N 2 1 325.457 1.109 20 0 EDADMP CCC[C@@H]1CN(C(=O)COC2CCC([NH3+])CC2)CC[N@H+]1CCOC ZINC000570635337 448039097 /nfs/dbraw/zinc/03/90/97/448039097.db2.gz CQHJFMMPKLMHJJ-AQFXKWCLSA-N 2 1 341.496 1.232 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000531292725 448055152 /nfs/dbraw/zinc/05/51/52/448055152.db2.gz DLIBLRQDPXPCFK-MJGOQNOKSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+]1CCC[C@H](CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000531292725 448055155 /nfs/dbraw/zinc/05/51/55/448055155.db2.gz DLIBLRQDPXPCFK-MJGOQNOKSA-N 2 1 331.460 1.081 20 0 EDADMP O=C(CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)Nc1ccc(Cl)cc1 ZINC000570451501 448017319 /nfs/dbraw/zinc/01/73/19/448017319.db2.gz NKMRLIIVULQNCL-OAHLLOKOSA-N 2 1 325.840 1.715 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000570836390 448072936 /nfs/dbraw/zinc/07/29/36/448072936.db2.gz GUOXWIYQLIUBAI-YJBOKZPZSA-N 2 1 347.459 1.459 20 0 EDADMP CCC[C@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC[N@H+]1CCOC ZINC000571051039 448100565 /nfs/dbraw/zinc/10/05/65/448100565.db2.gz WMNNXLQZNJMSCP-CABCVRRESA-N 2 1 349.479 1.060 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](c2ccncc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000571057084 448103662 /nfs/dbraw/zinc/10/36/62/448103662.db2.gz JBNZLOFZMLLUGH-MRXNPFEDSA-N 2 1 328.460 1.614 20 0 EDADMP C[N@@H+](C[C@H](O)CNCc1ccncc1OC[C@@H]1CCOC1)C1CC1 ZINC000571159431 448113311 /nfs/dbraw/zinc/11/33/11/448113311.db2.gz LLWMRIHXEOIITL-RHSMWYFYSA-N 2 1 335.448 1.042 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000531798465 448146745 /nfs/dbraw/zinc/14/67/45/448146745.db2.gz WJBIHKAMTQXMRE-QGZVFWFLSA-N 3 1 341.544 1.099 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000514719406 448192359 /nfs/dbraw/zinc/19/23/59/448192359.db2.gz RISRHQHMHMRMIF-AEFFLSMTSA-N 2 1 344.459 1.387 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000577256983 448248091 /nfs/dbraw/zinc/24/80/91/448248091.db2.gz DTRMUNFOFZSUTB-FXAWDEMLSA-N 2 1 347.503 1.860 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000577256983 448248097 /nfs/dbraw/zinc/24/80/97/448248097.db2.gz DTRMUNFOFZSUTB-FXAWDEMLSA-N 2 1 347.503 1.860 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000577256983 448248103 /nfs/dbraw/zinc/24/81/03/448248103.db2.gz DTRMUNFOFZSUTB-FXAWDEMLSA-N 2 1 347.503 1.860 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000577498624 448314074 /nfs/dbraw/zinc/31/40/74/448314074.db2.gz BWXKYFGFLBRHMQ-ZTFGCOKTSA-N 2 1 334.464 1.346 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000577498624 448314079 /nfs/dbraw/zinc/31/40/79/448314079.db2.gz BWXKYFGFLBRHMQ-ZTFGCOKTSA-N 2 1 334.464 1.346 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000515307051 448288812 /nfs/dbraw/zinc/28/88/12/448288812.db2.gz ULXCFEDIYCNIEY-DLBZAZTESA-N 2 1 345.491 1.248 20 0 EDADMP [NH3+]C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCC1 ZINC000515382878 448304574 /nfs/dbraw/zinc/30/45/74/448304574.db2.gz DKNUPIHKKYTWLU-ROUUACIJSA-N 2 1 330.476 1.927 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000577608169 448339801 /nfs/dbraw/zinc/33/98/01/448339801.db2.gz WDZFAUSEXBCQGF-HDMKZQKVSA-N 2 1 334.464 1.573 20 0 EDADMP C[C@H]1C[C@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[NH2+]1 ZINC000582833021 448351087 /nfs/dbraw/zinc/35/10/87/448351087.db2.gz BJYQQGHZUYTDQJ-MAUKXSAKSA-N 2 1 346.475 1.823 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000582847401 448358634 /nfs/dbraw/zinc/35/86/34/448358634.db2.gz NDRROOPCKUYWFR-CGTJXYLNSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000582847401 448358640 /nfs/dbraw/zinc/35/86/40/448358640.db2.gz NDRROOPCKUYWFR-CGTJXYLNSA-N 2 1 331.460 1.534 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527796985 448363365 /nfs/dbraw/zinc/36/33/65/448363365.db2.gz BWFXSCPUBCTQPN-KRWDZBQOSA-N 2 1 338.496 1.413 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)N[C@H]2CCC[NH+](C)C2)cc1 ZINC000527801338 448363876 /nfs/dbraw/zinc/36/38/76/448363876.db2.gz ULJJNHPRTVZCNN-IRXDYDNUSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)N[C@H]2CCC[NH+](C)C2)cc1 ZINC000527801338 448363880 /nfs/dbraw/zinc/36/38/80/448363880.db2.gz ULJJNHPRTVZCNN-IRXDYDNUSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000527801338 448363884 /nfs/dbraw/zinc/36/38/84/448363884.db2.gz ULJJNHPRTVZCNN-IRXDYDNUSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000527801338 448363886 /nfs/dbraw/zinc/36/38/86/448363886.db2.gz ULJJNHPRTVZCNN-IRXDYDNUSA-N 2 1 346.475 1.663 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000591571117 448393149 /nfs/dbraw/zinc/39/31/49/448393149.db2.gz CDMLWLIRDJOMGX-AWEZNQCLSA-N 2 1 333.436 1.016 20 0 EDADMP CNC(=O)CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516192315 448395616 /nfs/dbraw/zinc/39/56/16/448395616.db2.gz YQNIYHRHMKILQV-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N[C@H]1CCn2ccnc2C1 ZINC000527861822 448377188 /nfs/dbraw/zinc/37/71/88/448377188.db2.gz DESSZCVVSOYMFX-GOEBONIOSA-N 2 1 331.464 1.904 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000572640900 448429969 /nfs/dbraw/zinc/42/99/69/448429969.db2.gz JXDILRBZKNVBAL-ZWKOTPCHSA-N 2 1 345.487 1.893 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNc2cc[nH+]cc2C(N)=O)cc1 ZINC000528140103 448443487 /nfs/dbraw/zinc/44/34/87/448443487.db2.gz PDWRLFVDAKHEJY-AWEZNQCLSA-N 2 1 326.400 1.297 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000578122263 448465353 /nfs/dbraw/zinc/46/53/53/448465353.db2.gz LTYFDZLMSOMMDG-BBWFWOEESA-N 2 1 338.496 1.271 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)C2)C1 ZINC000566459772 448480278 /nfs/dbraw/zinc/48/02/78/448480278.db2.gz BKBXLOBJPLIPPY-SJLPKXTDSA-N 2 1 337.533 1.758 20 0 EDADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000516862186 448484695 /nfs/dbraw/zinc/48/46/95/448484695.db2.gz NZFSKSPIXIVPTF-FQEVSTJZSA-N 2 1 348.535 1.225 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000516862186 448484697 /nfs/dbraw/zinc/48/46/97/448484697.db2.gz NZFSKSPIXIVPTF-FQEVSTJZSA-N 2 1 348.535 1.225 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000516864786 448485720 /nfs/dbraw/zinc/48/57/20/448485720.db2.gz OQBZABPUHDWGJD-SFHVURJKSA-N 2 1 332.492 1.610 20 0 EDADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCN4CC[NH2+]CC4)C3)nc2c1 ZINC000578237759 448495614 /nfs/dbraw/zinc/49/56/14/448495614.db2.gz IKKIOSJYDNMEBQ-INIZCTEOSA-N 2 1 327.476 1.956 20 0 EDADMP Cc1ccc2nc([C@H]3CCC[N@H+](CCN4CC[NH2+]CC4)C3)[nH]c2c1 ZINC000578237759 448495621 /nfs/dbraw/zinc/49/56/21/448495621.db2.gz IKKIOSJYDNMEBQ-INIZCTEOSA-N 2 1 327.476 1.956 20 0 EDADMP Cc1ccc2nc([C@H]3CCC[N@@H+](CCN4CC[NH2+]CC4)C3)[nH]c2c1 ZINC000578237759 448495628 /nfs/dbraw/zinc/49/56/28/448495628.db2.gz IKKIOSJYDNMEBQ-INIZCTEOSA-N 2 1 327.476 1.956 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000584410002 448516293 /nfs/dbraw/zinc/51/62/93/448516293.db2.gz UIOKFOLOEXOWJQ-YJBOKZPZSA-N 2 1 330.476 1.441 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000572999022 448519670 /nfs/dbraw/zinc/51/96/70/448519670.db2.gz ANPGMVVZXQLGJW-XWIAVFTESA-N 2 1 328.460 1.737 20 0 EDADMP CCc1[nH]nc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1C ZINC000566631507 448525909 /nfs/dbraw/zinc/52/59/09/448525909.db2.gz YWIMLABSUYPLGS-UHFFFAOYSA-N 2 1 347.507 2.415 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000584533150 448561451 /nfs/dbraw/zinc/56/14/51/448561451.db2.gz SIYYUZFDPIGMBE-GDBMZVCRSA-N 2 1 333.480 1.828 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000584533152 448562064 /nfs/dbraw/zinc/56/20/64/448562064.db2.gz SIYYUZFDPIGMBE-HOCLYGCPSA-N 2 1 333.480 1.828 20 0 EDADMP C[NH2+][C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)c1cnn(C)c1 ZINC000578505809 448564442 /nfs/dbraw/zinc/56/44/42/448564442.db2.gz KXZUFFHAOAZRON-ZDUSSCGKSA-N 2 1 334.449 1.243 20 0 EDADMP CCC[N@@H+](C)CC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000517370075 448576892 /nfs/dbraw/zinc/57/68/92/448576892.db2.gz GNRJXDNPMNEZKO-GOSISDBHSA-N 2 1 332.492 1.433 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)cs1 ZINC000578445872 448548785 /nfs/dbraw/zinc/54/87/85/448548785.db2.gz WXBXTSZESULKGA-OKILXGFUSA-N 2 1 336.505 1.771 20 0 EDADMP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CCCC[NH+]1CCOCC1 ZINC000573396856 448616849 /nfs/dbraw/zinc/61/68/49/448616849.db2.gz ZXYINHWXWGWHSP-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)CCCC[NH+]1CCOCC1 ZINC000573396856 448616852 /nfs/dbraw/zinc/61/68/52/448616852.db2.gz ZXYINHWXWGWHSP-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP CS[C@@H]1CN(c2nc(N)[nH+]c3c2CCCC3)C[C@@H]1[NH+]1CCCC1 ZINC000591931538 448587304 /nfs/dbraw/zinc/58/73/04/448587304.db2.gz DPDPTFUGAMGNFN-LSDHHAIUSA-N 2 1 333.505 1.954 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000567275548 448656553 /nfs/dbraw/zinc/65/65/53/448656553.db2.gz QELPKSWRCPWETQ-UHFFFAOYSA-N 3 1 346.460 1.043 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000579260291 448756475 /nfs/dbraw/zinc/75/64/75/448756475.db2.gz KSCGHYSZYBDWRH-SJLPKXTDSA-N 2 1 332.492 1.800 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000574170702 448809409 /nfs/dbraw/zinc/80/94/09/448809409.db2.gz RMPGYNZPAWRCLX-ZBFHGGJFSA-N 2 1 325.522 1.662 20 0 EDADMP C[C@H](c1cccnc1)[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000567987059 448793809 /nfs/dbraw/zinc/79/38/09/448793809.db2.gz OHQZBKPVSAPMGP-XOKHGSTOSA-N 2 1 329.448 1.363 20 0 EDADMP C[C@H](c1cccnc1)[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000567987059 448793812 /nfs/dbraw/zinc/79/38/12/448793812.db2.gz OHQZBKPVSAPMGP-XOKHGSTOSA-N 2 1 329.448 1.363 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000592391390 448820715 /nfs/dbraw/zinc/82/07/15/448820715.db2.gz OYEOISFYROQJKU-LMMKCTJWSA-N 2 1 341.540 1.509 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000568143739 448820829 /nfs/dbraw/zinc/82/08/29/448820829.db2.gz HXGAZWYQZWIVOE-PKOBYXMFSA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000568143739 448820836 /nfs/dbraw/zinc/82/08/36/448820836.db2.gz HXGAZWYQZWIVOE-PKOBYXMFSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000568143739 448820843 /nfs/dbraw/zinc/82/08/43/448820843.db2.gz HXGAZWYQZWIVOE-PKOBYXMFSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000568143739 448820850 /nfs/dbraw/zinc/82/08/50/448820850.db2.gz HXGAZWYQZWIVOE-PKOBYXMFSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000579598403 448831977 /nfs/dbraw/zinc/83/19/77/448831977.db2.gz DLFAIDSPZDEIKQ-ZFWWWQNUSA-N 2 1 328.420 1.172 20 0 EDADMP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000579598403 448831983 /nfs/dbraw/zinc/83/19/83/448831983.db2.gz DLFAIDSPZDEIKQ-ZFWWWQNUSA-N 2 1 328.420 1.172 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC1CC[NH2+]CC1 ZINC000519756242 448835808 /nfs/dbraw/zinc/83/58/08/448835808.db2.gz XTLGBLCFSCAOPU-SFHVURJKSA-N 2 1 345.491 1.830 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@H](c2ccccc2)C1 ZINC000529363091 448841576 /nfs/dbraw/zinc/84/15/76/448841576.db2.gz ZPCOQPREDVVVAA-DLBZAZTESA-N 2 1 328.460 1.969 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@H](c2ccccc2)C1 ZINC000529363091 448841580 /nfs/dbraw/zinc/84/15/80/448841580.db2.gz ZPCOQPREDVVVAA-DLBZAZTESA-N 2 1 328.460 1.969 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000546732775 448846790 /nfs/dbraw/zinc/84/67/90/448846790.db2.gz PWXPJPJKPKGNNI-IRXDYDNUSA-N 2 1 339.528 1.042 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[NH2+]CC3)c2)C1 ZINC000579687241 448851213 /nfs/dbraw/zinc/85/12/13/448851213.db2.gz KDEXQMYTYSHHCR-OALUTQOASA-N 2 1 344.503 1.616 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCC[NH2+]CC3)c2)C1 ZINC000579687241 448851219 /nfs/dbraw/zinc/85/12/19/448851219.db2.gz KDEXQMYTYSHHCR-OALUTQOASA-N 2 1 344.503 1.616 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCC[NH2+]CC3)c2)C1 ZINC000579687241 448851225 /nfs/dbraw/zinc/85/12/25/448851225.db2.gz KDEXQMYTYSHHCR-OALUTQOASA-N 2 1 344.503 1.616 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@H](C)OC)CC2)CC1 ZINC000579729420 448867005 /nfs/dbraw/zinc/86/70/05/448867005.db2.gz LXQBOQSGYOTPAT-HNNXBMFYSA-N 2 1 325.497 1.724 20 0 EDADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000520235117 448876569 /nfs/dbraw/zinc/87/65/69/448876569.db2.gz QHALRHBFQVQVDP-QZTJIDSGSA-N 2 1 330.476 1.313 20 0 EDADMP Cn1c(NCC(=O)NCC[NH+]2CCCCCC2)[nH+]c2cccc(F)c21 ZINC000568971587 448944646 /nfs/dbraw/zinc/94/46/46/448944646.db2.gz LONJGTYMHNHQFU-UHFFFAOYSA-N 2 1 347.438 2.117 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000521985233 449035429 /nfs/dbraw/zinc/03/54/29/449035429.db2.gz QCHGHCBGVHFWDZ-OAOYMFHYSA-N 2 1 342.487 1.936 20 0 EDADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000575073322 449030688 /nfs/dbraw/zinc/03/06/88/449030688.db2.gz ZGERHLGAAJBOAL-AEFFLSMTSA-N 2 1 339.443 1.233 20 0 EDADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000575073322 449030692 /nfs/dbraw/zinc/03/06/92/449030692.db2.gz ZGERHLGAAJBOAL-AEFFLSMTSA-N 2 1 339.443 1.233 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000575156789 449050611 /nfs/dbraw/zinc/05/06/11/449050611.db2.gz YIWPROFJUFZEKI-KRWDZBQOSA-N 2 1 345.491 1.202 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000582260953 449051056 /nfs/dbraw/zinc/05/10/56/449051056.db2.gz SZRPYWVWOKCVOU-QZTJIDSGSA-N 2 1 330.476 1.846 20 0 EDADMP COC(=O)c1[nH]c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1C ZINC000589821544 449064025 /nfs/dbraw/zinc/06/40/25/449064025.db2.gz ZTRWVLIKXVEQJC-CQSZACIVSA-N 2 1 335.448 1.700 20 0 EDADMP [NH3+][C@H](CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)c1ccccc1 ZINC000575236190 449065937 /nfs/dbraw/zinc/06/59/37/449065937.db2.gz KPFRLPUTMUYQRY-SJORKVTESA-N 2 1 325.416 1.438 20 0 EDADMP c1coc(-c2noc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000530240315 449091120 /nfs/dbraw/zinc/09/11/20/449091120.db2.gz KITJLGONTKBZJW-CQSZACIVSA-N 2 1 332.404 1.920 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccc(O)cc3CC2)CC1 ZINC000590785456 449293588 /nfs/dbraw/zinc/29/35/88/449293588.db2.gz TUMRHQDLUXCPPU-HNNXBMFYSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000590845185 449317321 /nfs/dbraw/zinc/31/73/21/449317321.db2.gz DDXZEEPJGNTFEU-GOSISDBHSA-N 2 1 332.492 1.802 20 0 EDADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000600635952 449467517 /nfs/dbraw/zinc/46/75/17/449467517.db2.gz MMWFGEZCQPIDJE-KRWDZBQOSA-N 2 1 333.480 1.578 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000600635952 449467525 /nfs/dbraw/zinc/46/75/25/449467525.db2.gz MMWFGEZCQPIDJE-KRWDZBQOSA-N 2 1 333.480 1.578 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000600727753 449520569 /nfs/dbraw/zinc/52/05/69/449520569.db2.gz MCJVDCXHTNWHOU-LBPRGKRZSA-N 2 1 340.399 1.030 20 0 EDADMP C[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607406287 449609865 /nfs/dbraw/zinc/60/98/65/449609865.db2.gz QJOQRLCTEXEAPA-IBGZPJMESA-N 2 1 346.475 1.017 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000617505909 449651763 /nfs/dbraw/zinc/65/17/63/449651763.db2.gz VBENKROEGAKQPP-IRXDYDNUSA-N 3 1 326.529 1.639 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000617505909 449651765 /nfs/dbraw/zinc/65/17/65/449651765.db2.gz VBENKROEGAKQPP-IRXDYDNUSA-N 3 1 326.529 1.639 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CCN2C1=O ZINC000594736443 449657797 /nfs/dbraw/zinc/65/77/97/449657797.db2.gz IHKHNGWFCLCMJA-LSDHHAIUSA-N 2 1 345.834 1.474 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CCN2C1=O ZINC000594736443 449657803 /nfs/dbraw/zinc/65/78/03/449657803.db2.gz IHKHNGWFCLCMJA-LSDHHAIUSA-N 2 1 345.834 1.474 20 0 EDADMP Cc1csc([C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000617507691 449658145 /nfs/dbraw/zinc/65/81/45/449658145.db2.gz GALIFWJMHQRQMV-JSGCOSHPSA-N 2 1 326.510 1.943 20 0 EDADMP Cc1csc([C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617507691 449658150 /nfs/dbraw/zinc/65/81/50/449658150.db2.gz GALIFWJMHQRQMV-JSGCOSHPSA-N 2 1 326.510 1.943 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(C(=O)OC)c(C)[nH]2)CC1 ZINC000602512633 449641500 /nfs/dbraw/zinc/64/15/00/449641500.db2.gz WUNZUONEQYGWJK-UHFFFAOYSA-N 2 1 336.480 1.617 20 0 EDADMP Cc1cccc2c1O[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C2 ZINC000617503572 449646226 /nfs/dbraw/zinc/64/62/26/449646226.db2.gz PAAWKQMKJCNHQL-DOTOQJQBSA-N 2 1 333.476 1.687 20 0 EDADMP Cc1cccc2c1O[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C2 ZINC000617503572 449646230 /nfs/dbraw/zinc/64/62/30/449646230.db2.gz PAAWKQMKJCNHQL-DOTOQJQBSA-N 2 1 333.476 1.687 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000617699711 449744824 /nfs/dbraw/zinc/74/48/24/449744824.db2.gz QSYTZTPLKIKZEP-OALUTQOASA-N 2 1 345.487 1.744 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617699711 449744828 /nfs/dbraw/zinc/74/48/28/449744828.db2.gz QSYTZTPLKIKZEP-OALUTQOASA-N 2 1 345.487 1.744 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617699711 449744832 /nfs/dbraw/zinc/74/48/32/449744832.db2.gz QSYTZTPLKIKZEP-OALUTQOASA-N 2 1 345.487 1.744 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000608629095 449890784 /nfs/dbraw/zinc/89/07/84/449890784.db2.gz FMTRHYARAILQAO-HOTGVXAUSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000608629095 449890796 /nfs/dbraw/zinc/89/07/96/449890796.db2.gz FMTRHYARAILQAO-HOTGVXAUSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000608629095 449890801 /nfs/dbraw/zinc/89/08/01/449890801.db2.gz FMTRHYARAILQAO-HOTGVXAUSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@]1(NC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000612905159 449935477 /nfs/dbraw/zinc/93/54/77/449935477.db2.gz ZNNFJFJVLBBFNP-AEFFLSMTSA-N 2 1 348.516 1.655 20 0 EDADMP C[C@]1(NC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000612905159 449935480 /nfs/dbraw/zinc/93/54/80/449935480.db2.gz ZNNFJFJVLBBFNP-AEFFLSMTSA-N 2 1 348.516 1.655 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000615089862 449949683 /nfs/dbraw/zinc/94/96/83/449949683.db2.gz OATIMCCCOKMYJA-CABCVRRESA-N 2 1 325.497 1.865 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000608709075 449917090 /nfs/dbraw/zinc/91/70/90/449917090.db2.gz KKUVOFSVFIEFMJ-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000615277532 450040782 /nfs/dbraw/zinc/04/07/82/450040782.db2.gz WBYZYAHVZLGNDR-OWCLPIDISA-N 2 1 334.464 1.718 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000615277532 450040785 /nfs/dbraw/zinc/04/07/85/450040785.db2.gz WBYZYAHVZLGNDR-OWCLPIDISA-N 2 1 334.464 1.718 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N(C)CC3C[NH+](C)C3)cc2F)CC1 ZINC000618194129 450048055 /nfs/dbraw/zinc/04/80/55/450048055.db2.gz QWXVCEXSRDMGNW-UHFFFAOYSA-N 2 1 348.466 1.601 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3C[C@H]4CCCC[C@H]4NC3=O)C2)CC1 ZINC000595338141 450051232 /nfs/dbraw/zinc/05/12/32/450051232.db2.gz MHLJJRGYJFFAIY-NCXUSEDFSA-N 2 1 348.535 1.534 20 0 EDADMP CC(C)(C)OC(=O)CN1CC[C@@H](N2CCC[C@@H](c3ncc[nH]3)C2)C1=O ZINC000595377203 450091404 /nfs/dbraw/zinc/09/14/04/450091404.db2.gz MDNPZVITNWCXDR-ZIAGYGMSSA-N 2 1 348.447 1.532 20 0 EDADMP C[NH+](C)CC1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000615512627 450120898 /nfs/dbraw/zinc/12/08/98/450120898.db2.gz INXBJADWMDUSBB-QGZVFWFLSA-N 2 1 333.501 1.797 20 0 EDADMP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250429 450163510 /nfs/dbraw/zinc/16/35/10/450163510.db2.gz JNEMWJXIGZPSCK-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250429 450163515 /nfs/dbraw/zinc/16/35/15/450163515.db2.gz JNEMWJXIGZPSCK-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000618355158 450172273 /nfs/dbraw/zinc/17/22/73/450172273.db2.gz QHAUCTFHMGRVRB-LJQANCHMSA-N 2 1 344.503 1.009 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000618355158 450172276 /nfs/dbraw/zinc/17/22/76/450172276.db2.gz QHAUCTFHMGRVRB-LJQANCHMSA-N 2 1 344.503 1.009 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619971756 450387895 /nfs/dbraw/zinc/38/78/95/450387895.db2.gz WXEXZXWWGFTRNV-QBPKDAKJSA-N 2 1 335.492 1.619 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620485244 450502181 /nfs/dbraw/zinc/50/21/81/450502181.db2.gz RGHZBWDNXFIUSV-RTBURBONSA-N 2 1 345.487 1.737 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620485244 450502185 /nfs/dbraw/zinc/50/21/85/450502185.db2.gz RGHZBWDNXFIUSV-RTBURBONSA-N 2 1 345.487 1.737 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620485244 450502189 /nfs/dbraw/zinc/50/21/89/450502189.db2.gz RGHZBWDNXFIUSV-RTBURBONSA-N 2 1 345.487 1.737 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)[C@H]1C ZINC000620747139 450538192 /nfs/dbraw/zinc/53/81/92/450538192.db2.gz NAOUEJHDFJZCQA-IYBDPMFKSA-N 2 1 340.512 1.115 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)[C@@H]1C ZINC000620747139 450538194 /nfs/dbraw/zinc/53/81/94/450538194.db2.gz NAOUEJHDFJZCQA-IYBDPMFKSA-N 2 1 340.512 1.115 20 0 EDADMP CC(C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)[C@@H]1C ZINC000620747139 450538197 /nfs/dbraw/zinc/53/81/97/450538197.db2.gz NAOUEJHDFJZCQA-IYBDPMFKSA-N 2 1 340.512 1.115 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000623573371 450545491 /nfs/dbraw/zinc/54/54/91/450545491.db2.gz GJSFTIGGDPUMPX-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1C[C@H](NCCC[NH+]2CCC[C@H]2C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000623619246 450553140 /nfs/dbraw/zinc/55/31/40/450553140.db2.gz YOQFCZTUHQADNK-WDSOQIARSA-N 2 1 344.503 1.579 20 0 EDADMP C[C@H]1C[C@H](NCCC[NH+]2CCC[C@H]2C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000623619246 450553143 /nfs/dbraw/zinc/55/31/43/450553143.db2.gz YOQFCZTUHQADNK-WDSOQIARSA-N 2 1 344.503 1.579 20 0 EDADMP C[C@H]1C[C@H](NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[NH+]1Cc1ccccc1 ZINC000623619246 450553146 /nfs/dbraw/zinc/55/31/46/450553146.db2.gz YOQFCZTUHQADNK-WDSOQIARSA-N 2 1 344.503 1.579 20 0 EDADMP C[C@H]1C[C@H](NCCC[N@H+]2CCC[C@H]2C(N)=O)C[NH+]1Cc1ccccc1 ZINC000623619246 450553148 /nfs/dbraw/zinc/55/31/48/450553148.db2.gz YOQFCZTUHQADNK-WDSOQIARSA-N 2 1 344.503 1.579 20 0 EDADMP C[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000620967402 450566825 /nfs/dbraw/zinc/56/68/25/450566825.db2.gz SHBBSVUKBXGHFV-YYIAUSFCSA-N 2 1 325.497 1.817 20 0 EDADMP c1cc(CN2CCO[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)ccn1 ZINC000623782002 450582721 /nfs/dbraw/zinc/58/27/21/450582721.db2.gz FQQCWASVNUVEAD-GBESFXJTSA-N 2 1 330.476 1.499 20 0 EDADMP C[C@H]1C[C@H](N(C)c2nc(N)[nH+]c(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000623984327 450660782 /nfs/dbraw/zinc/66/07/82/450660782.db2.gz DTKUNSPSVNWQSM-GXTWGEPZSA-N 2 1 327.436 1.186 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)[C@H](C)C1 ZINC000624113471 450709755 /nfs/dbraw/zinc/70/97/55/450709755.db2.gz GQBGEANGMROGQL-KFWWJZLASA-N 2 1 329.452 1.023 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000624122510 450715798 /nfs/dbraw/zinc/71/57/98/450715798.db2.gz TWWSFVLTLILJAV-ZIAGYGMSSA-N 2 1 325.478 1.717 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000629654966 450772154 /nfs/dbraw/zinc/77/21/54/450772154.db2.gz UWTYGADZOBAFPQ-UHFFFAOYSA-N 2 1 341.253 1.765 20 0 EDADMP O[C@@H](C[NH2+]CCOc1ncc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000629568695 450741387 /nfs/dbraw/zinc/74/13/87/450741387.db2.gz LESCWTPOJWKPRB-LBPRGKRZSA-N 2 1 334.247 1.814 20 0 EDADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629580661 450747998 /nfs/dbraw/zinc/74/79/98/450747998.db2.gz YJHDYEUTNYYWLY-CQSZACIVSA-N 2 1 325.478 1.491 20 0 EDADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629580661 450748001 /nfs/dbraw/zinc/74/80/01/450748001.db2.gz YJHDYEUTNYYWLY-CQSZACIVSA-N 2 1 325.478 1.491 20 0 EDADMP COC1(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCCC1 ZINC000629649473 450770160 /nfs/dbraw/zinc/77/01/60/450770160.db2.gz BYRSUMXXWIGTJZ-MRXNPFEDSA-N 2 1 347.507 1.958 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000631840795 450809826 /nfs/dbraw/zinc/80/98/26/450809826.db2.gz FEDOHOBRDFFURP-VNHYZAJKSA-N 2 1 335.448 1.235 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000631840795 450809832 /nfs/dbraw/zinc/80/98/32/450809832.db2.gz FEDOHOBRDFFURP-VNHYZAJKSA-N 2 1 335.448 1.235 20 0 EDADMP CN1CC[NH+](CCCCNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000635279832 450810831 /nfs/dbraw/zinc/81/08/31/450810831.db2.gz RCFJFTFYTATLLZ-UHFFFAOYSA-N 2 1 346.519 1.305 20 0 EDADMP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841750 450811483 /nfs/dbraw/zinc/81/14/83/450811483.db2.gz PEMZPTJCOJEKCJ-DGCLKSJQSA-N 2 1 325.840 1.491 20 0 EDADMP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841750 450811487 /nfs/dbraw/zinc/81/14/87/450811487.db2.gz PEMZPTJCOJEKCJ-DGCLKSJQSA-N 2 1 325.840 1.491 20 0 EDADMP CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000621669290 450824838 /nfs/dbraw/zinc/82/48/38/450824838.db2.gz IXSOXJODJDCCGJ-WMZOPIPTSA-N 2 1 336.524 1.393 20 0 EDADMP CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000621669290 450824841 /nfs/dbraw/zinc/82/48/41/450824841.db2.gz IXSOXJODJDCCGJ-WMZOPIPTSA-N 2 1 336.524 1.393 20 0 EDADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)CN1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000621683095 450831600 /nfs/dbraw/zinc/83/16/00/450831600.db2.gz PUANSACPUIUYJF-ICSRJNTNSA-N 2 1 342.487 1.144 20 0 EDADMP O=C(CC[NH+]1CCC([NH2+]CCO)CC1)N[C@@H]1CCCc2ccccc21 ZINC000631864557 450833748 /nfs/dbraw/zinc/83/37/48/450833748.db2.gz PTBFFMSMDHPGNJ-LJQANCHMSA-N 2 1 345.487 1.617 20 0 EDADMP C[NH+](C)CC1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000635270506 450799002 /nfs/dbraw/zinc/79/90/02/450799002.db2.gz HWKJWUQYEJYUCX-UHFFFAOYSA-N 2 1 348.466 1.406 20 0 EDADMP CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000631829390 450800624 /nfs/dbraw/zinc/80/06/24/450800624.db2.gz PJJRXDHJSKOJEV-XHSDSOJGSA-N 2 1 349.479 1.450 20 0 EDADMP CCCn1nccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000631829390 450800627 /nfs/dbraw/zinc/80/06/27/450800627.db2.gz PJJRXDHJSKOJEV-XHSDSOJGSA-N 2 1 349.479 1.450 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000631936126 450894378 /nfs/dbraw/zinc/89/43/78/450894378.db2.gz URLYGDDVSFZHQY-HNNXBMFYSA-N 2 1 345.896 1.568 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cn1 ZINC000633654491 450966294 /nfs/dbraw/zinc/96/62/94/450966294.db2.gz RQODESPBZZMMQX-SFHVURJKSA-N 2 1 341.459 1.449 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cn1 ZINC000633654491 450966300 /nfs/dbraw/zinc/96/63/00/450966300.db2.gz RQODESPBZZMMQX-SFHVURJKSA-N 2 1 341.459 1.449 20 0 EDADMP C[NH+](C)CCn1c2cc(C(=O)N[C@H]3CCC[N@@H+](C)C3)ccc2[nH]c1=O ZINC000635508185 451002935 /nfs/dbraw/zinc/00/29/35/451002935.db2.gz SQPDJOJMDCOYIW-AWEZNQCLSA-N 2 1 345.447 1.128 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000626936567 451018047 /nfs/dbraw/zinc/01/80/47/451018047.db2.gz JIKKBRSBUIZXER-KRWDZBQOSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626937692 451019249 /nfs/dbraw/zinc/01/92/49/451019249.db2.gz WZFMCVQSOJRUKP-HNNXBMFYSA-N 2 1 326.485 1.306 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000626939932 451021518 /nfs/dbraw/zinc/02/15/18/451021518.db2.gz PNPXNATWBZUSTJ-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000626942855 451022076 /nfs/dbraw/zinc/02/20/76/451022076.db2.gz UQKZBYSJZALTHS-ZWKOTPCHSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632085383 451024068 /nfs/dbraw/zinc/02/40/68/451024068.db2.gz NREYBBWSBYYDEI-BBWFWOEESA-N 2 1 345.553 1.758 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC1([NH3+])CCOCC1 ZINC000627012906 451077582 /nfs/dbraw/zinc/07/75/82/451077582.db2.gz JOKNINHUBIBDAD-DOTOQJQBSA-N 2 1 346.475 1.314 20 0 EDADMP C[NH2+]CCOCCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000627027361 451088172 /nfs/dbraw/zinc/08/81/72/451088172.db2.gz NZABMWRDCBRRMK-MRXNPFEDSA-N 2 1 326.485 1.319 20 0 EDADMP CN(CCOCC[NH3+])C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000627050825 451101586 /nfs/dbraw/zinc/10/15/86/451101586.db2.gz UXMCWDMMHGXLDA-UHFFFAOYSA-N 2 1 348.491 1.658 20 0 EDADMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000633953873 451121817 /nfs/dbraw/zinc/12/18/17/451121817.db2.gz HWLTVUQISLSNTC-QGZVFWFLSA-N 2 1 334.508 1.243 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635721298 451198640 /nfs/dbraw/zinc/19/86/40/451198640.db2.gz JPECRYWZDDAQFS-TVFCKZIOSA-N 2 1 335.492 1.713 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000638085322 451249652 /nfs/dbraw/zinc/24/96/52/451249652.db2.gz XUCOKAUJJRIILV-JTOWHCCKSA-N 2 1 325.497 1.626 20 0 EDADMP O=C(CN1CC[NH2+]CC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000638090813 451255946 /nfs/dbraw/zinc/25/59/46/451255946.db2.gz ZMGQVRHGDOZWGR-UHFFFAOYSA-N 2 1 334.489 1.079 20 0 EDADMP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)[C@H](C)N3CC[NH+](C)CC3)C2)c1 ZINC000634272177 451261165 /nfs/dbraw/zinc/26/11/65/451261165.db2.gz AWKVSUSIYHFSIL-PKOBYXMFSA-N 2 1 344.503 1.321 20 0 EDADMP Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C)N3CC[NH+](C)CC3)C2)c1 ZINC000634272177 451261169 /nfs/dbraw/zinc/26/11/69/451261169.db2.gz AWKVSUSIYHFSIL-PKOBYXMFSA-N 2 1 344.503 1.321 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000638103480 451270811 /nfs/dbraw/zinc/27/08/11/451270811.db2.gz OTBSNQPJGLJTHA-YVWKXTFCSA-N 2 1 345.487 1.911 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638110615 451277956 /nfs/dbraw/zinc/27/79/56/451277956.db2.gz GVNWXRAXTGBNIL-IEBWSBKVSA-N 2 1 331.460 1.345 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000638125552 451295305 /nfs/dbraw/zinc/29/53/05/451295305.db2.gz FFBWOWRWJHHZLJ-WMZOPIPTSA-N 2 1 333.476 1.898 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)NCCCCn2cc[nH+]c2C)c1 ZINC000638125391 451295661 /nfs/dbraw/zinc/29/56/61/451295661.db2.gz ZTGKNBQZKZPLNL-QGZVFWFLSA-N 2 1 330.432 1.667 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000638134124 451307298 /nfs/dbraw/zinc/30/72/98/451307298.db2.gz ZUTQFNCCTFFDGO-HNNXBMFYSA-N 2 1 346.475 1.330 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)CC[N@H+]1C ZINC000632463357 451313417 /nfs/dbraw/zinc/31/34/17/451313417.db2.gz KVCQVZLDHGZLJI-XWTMOSNGSA-N 2 1 336.524 1.392 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640444552 451320596 /nfs/dbraw/zinc/32/05/96/451320596.db2.gz DIOBZGOJLLVFOH-UHFFFAOYSA-N 2 1 346.475 1.623 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640474466 451337133 /nfs/dbraw/zinc/33/71/33/451337133.db2.gz BAHBHBMNYCAMEM-UYAOXDASSA-N 2 1 343.471 1.096 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640474466 451337140 /nfs/dbraw/zinc/33/71/40/451337140.db2.gz BAHBHBMNYCAMEM-UYAOXDASSA-N 2 1 343.471 1.096 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640474466 451337146 /nfs/dbraw/zinc/33/71/46/451337146.db2.gz BAHBHBMNYCAMEM-UYAOXDASSA-N 2 1 343.471 1.096 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640474466 451337150 /nfs/dbraw/zinc/33/71/50/451337150.db2.gz BAHBHBMNYCAMEM-UYAOXDASSA-N 2 1 343.471 1.096 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638154009 451325905 /nfs/dbraw/zinc/32/59/05/451325905.db2.gz AFZVZARVAUXWSO-FUHWJXTLSA-N 3 1 344.503 1.566 20 0 EDADMP C[C@H](C[NH3+])NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000638170199 451334758 /nfs/dbraw/zinc/33/47/58/451334758.db2.gz HXMRBBFHQGGZFZ-AYOQOUSVSA-N 2 1 338.455 1.761 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638256714 451383148 /nfs/dbraw/zinc/38/31/48/451383148.db2.gz QVJWTNYUDKZIMS-BVYOLEPJSA-N 2 1 331.460 1.377 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632545180 451387571 /nfs/dbraw/zinc/38/75/71/451387571.db2.gz XUENOMDURCIPKC-HNNXBMFYSA-N 2 1 331.526 1.512 20 0 EDADMP CO[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C1CCOCC1 ZINC000638184627 451344373 /nfs/dbraw/zinc/34/43/73/451344373.db2.gz ZGEMSGFGURBNSP-BSDSXHPESA-N 2 1 326.481 1.612 20 0 EDADMP C[NH+]1CCN(c2cccc(C(=O)NC[C@H]3CCCC[N@@H+](C)C3)n2)CC1 ZINC000628750548 451396253 /nfs/dbraw/zinc/39/62/53/451396253.db2.gz STVOLWQZBAJTGW-MRXNPFEDSA-N 2 1 345.491 1.295 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638287750 451404075 /nfs/dbraw/zinc/40/40/75/451404075.db2.gz XENWNJVWEJHSMC-BBRMVZONSA-N 2 1 325.416 1.186 20 0 EDADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCCNC(=O)C2)c2cccs2)CC1 ZINC000638288688 451404853 /nfs/dbraw/zinc/40/48/53/451404853.db2.gz XRNSXVJRWHPILJ-GJZGRUSLSA-N 2 1 336.505 1.295 20 0 EDADMP CC(C)(C)[C@H](C[NH3+])NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638334815 451439753 /nfs/dbraw/zinc/43/97/53/451439753.db2.gz FEDCNKYPGAOKEN-KRWDZBQOSA-N 3 1 346.519 1.860 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000638297183 451412299 /nfs/dbraw/zinc/41/22/99/451412299.db2.gz JLPQMYCIASMEAC-ZOBUZTSGSA-N 2 1 337.851 1.580 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000638297183 451412302 /nfs/dbraw/zinc/41/23/02/451412302.db2.gz JLPQMYCIASMEAC-ZOBUZTSGSA-N 2 1 337.851 1.580 20 0 EDADMP O=S(=O)(CCC[NH+]1CCCC1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000632578770 451420587 /nfs/dbraw/zinc/42/05/87/451420587.db2.gz DHRNRWCUVANIRB-QGZVFWFLSA-N 2 1 343.537 1.514 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1C ZINC000630826510 451423033 /nfs/dbraw/zinc/42/30/33/451423033.db2.gz JUJBSZHKOOVXAQ-IECFSIQFSA-N 2 1 337.508 1.817 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000630826510 451423039 /nfs/dbraw/zinc/42/30/39/451423039.db2.gz JUJBSZHKOOVXAQ-IECFSIQFSA-N 2 1 337.508 1.817 20 0 EDADMP O[C@@]1(C[NH2+]CCCC[NH+]2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634642722 451436509 /nfs/dbraw/zinc/43/65/09/451436509.db2.gz PKTRYBTUHSFCRO-HXUWFJFHSA-N 3 1 347.503 1.325 20 0 EDADMP O[C@@]1(C[NH2+]CCCC[NH+]2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634642722 451436516 /nfs/dbraw/zinc/43/65/16/451436516.db2.gz PKTRYBTUHSFCRO-HXUWFJFHSA-N 3 1 347.503 1.325 20 0 EDADMP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000634688551 451465665 /nfs/dbraw/zinc/46/56/65/451465665.db2.gz WDRGCKBNSRSFKB-UHFFFAOYSA-N 2 1 339.443 1.378 20 0 EDADMP O=C(NCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000634699221 451472396 /nfs/dbraw/zinc/47/23/96/451472396.db2.gz GVBIJSYGWZTHEG-IBGZPJMESA-N 2 1 343.427 1.236 20 0 EDADMP O=C(NCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000634699221 451472400 /nfs/dbraw/zinc/47/24/00/451472400.db2.gz GVBIJSYGWZTHEG-IBGZPJMESA-N 2 1 343.427 1.236 20 0 EDADMP O[C@]1(CNC[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634700874 451474656 /nfs/dbraw/zinc/47/46/56/451474656.db2.gz GUAIZHDAEDQBPE-ICSRJNTNSA-N 2 1 329.488 1.697 20 0 EDADMP O[C@]1(CNC[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634700874 451474660 /nfs/dbraw/zinc/47/46/60/451474660.db2.gz GUAIZHDAEDQBPE-ICSRJNTNSA-N 2 1 329.488 1.697 20 0 EDADMP O[C@]1(CNC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700874 451474663 /nfs/dbraw/zinc/47/46/63/451474663.db2.gz GUAIZHDAEDQBPE-ICSRJNTNSA-N 2 1 329.488 1.697 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000638400726 451489680 /nfs/dbraw/zinc/48/96/80/451489680.db2.gz SHSAQGUBQCENFI-GBESFXJTSA-N 2 1 344.503 1.579 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000638400726 451489686 /nfs/dbraw/zinc/48/96/86/451489686.db2.gz SHSAQGUBQCENFI-GBESFXJTSA-N 2 1 344.503 1.579 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000638400726 451489689 /nfs/dbraw/zinc/48/96/89/451489689.db2.gz SHSAQGUBQCENFI-GBESFXJTSA-N 2 1 344.503 1.579 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000638411768 451498094 /nfs/dbraw/zinc/49/80/94/451498094.db2.gz RBWWZWAXTDWYCC-CZUORRHYSA-N 2 1 334.370 1.732 20 0 EDADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)cc1F ZINC000638413211 451498685 /nfs/dbraw/zinc/49/86/85/451498685.db2.gz XZBSHAPARSJUFA-XIRDDKMYSA-N 2 1 349.450 1.880 20 0 EDADMP COCCc1ncc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000631063116 451562925 /nfs/dbraw/zinc/56/29/25/451562925.db2.gz BMQRYQLUADQWQC-ZDUSSCGKSA-N 2 1 340.493 1.009 20 0 EDADMP COCCc1ncc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000631063116 451562927 /nfs/dbraw/zinc/56/29/27/451562927.db2.gz BMQRYQLUADQWQC-ZDUSSCGKSA-N 2 1 340.493 1.009 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000638576677 451586423 /nfs/dbraw/zinc/58/64/23/451586423.db2.gz QPQRVAUSKXUUSQ-XQQFMLRXSA-N 2 1 326.238 1.706 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000638592809 451594593 /nfs/dbraw/zinc/59/45/93/451594593.db2.gz QQVYNVSXNKECEJ-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C[N@H+]1Cc1ccccc1 ZINC000636920226 451608073 /nfs/dbraw/zinc/60/80/73/451608073.db2.gz UTPJRNPXHUKMNP-NJAFHUGGSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C[NH+]1Cc1ccccc1 ZINC000636920226 451608078 /nfs/dbraw/zinc/60/80/78/451608078.db2.gz UTPJRNPXHUKMNP-NJAFHUGGSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C[NH+]1Cc1ccccc1 ZINC000636920226 451608080 /nfs/dbraw/zinc/60/80/80/451608080.db2.gz UTPJRNPXHUKMNP-NJAFHUGGSA-N 2 1 346.475 1.015 20 0 EDADMP CN(C)CC[NH+]1CCC(C[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638563660 451578816 /nfs/dbraw/zinc/57/88/16/451578816.db2.gz APRUECSPWGERJO-UHFFFAOYSA-N 2 1 340.556 1.085 20 0 EDADMP C[NH+](C)[C@@H]1CCN(c2ccc(NCC(C)(C)[NH+]3CCOCC3)nc2)C1 ZINC000638790100 451693139 /nfs/dbraw/zinc/69/31/39/451693139.db2.gz QIIIYBMVCYIOTF-QGZVFWFLSA-N 2 1 347.507 1.745 20 0 EDADMP [NH3+]Cc1ncc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000638800988 451694779 /nfs/dbraw/zinc/69/47/79/451694779.db2.gz RQDPYKWJABONAZ-HNNXBMFYSA-N 2 1 325.416 1.187 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000638820222 451700895 /nfs/dbraw/zinc/70/08/95/451700895.db2.gz SQIPXXWYACZLEX-IAGOWNOFSA-N 2 1 325.497 1.853 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638850811 451710295 /nfs/dbraw/zinc/71/02/95/451710295.db2.gz JOXBYENLZWZMSG-LBKNJMOBSA-N 2 1 343.471 1.107 20 0 EDADMP Cn1nnnc1CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638851239 451710480 /nfs/dbraw/zinc/71/04/80/451710480.db2.gz KQYABVRUIXNYJN-WBVHZDCISA-N 2 1 326.448 1.710 20 0 EDADMP Cn1nnnc1CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638851239 451710483 /nfs/dbraw/zinc/71/04/83/451710483.db2.gz KQYABVRUIXNYJN-WBVHZDCISA-N 2 1 326.448 1.710 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC3(C[NH3+])CCCCC3)cc2)CC1 ZINC000638996619 451749992 /nfs/dbraw/zinc/74/99/92/451749992.db2.gz MDVUBMBJFGXUBE-UHFFFAOYSA-N 2 1 344.503 1.825 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)COC3CCC([NH3+])CC3)C2)cc1 ZINC000639004676 451751415 /nfs/dbraw/zinc/75/14/15/451751415.db2.gz IVRDTDJRVGIXOR-JLAWEPINSA-N 2 1 345.487 1.972 20 0 EDADMP CNC(=O)C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000639130419 451773928 /nfs/dbraw/zinc/77/39/28/451773928.db2.gz ZTUIJLMDWZTIFC-QGZVFWFLSA-N 2 1 333.476 1.689 20 0 EDADMP Cc1[nH+]ccn1Cc1cn(C[C@H](O)C[N@@H+](C)Cc2ccccc2)nn1 ZINC000641214956 451784309 /nfs/dbraw/zinc/78/43/09/451784309.db2.gz LLHCOVLYVWHHJZ-GOSISDBHSA-N 2 1 340.431 1.324 20 0 EDADMP Cc1[nH+]ccn1Cc1cn(C[C@H](O)C[N@H+](C)Cc2ccccc2)nn1 ZINC000641214956 451784313 /nfs/dbraw/zinc/78/43/13/451784313.db2.gz LLHCOVLYVWHHJZ-GOSISDBHSA-N 2 1 340.431 1.324 20 0 EDADMP C[N@H+](C[C@H](O)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1)C1CC1 ZINC000641220901 451787134 /nfs/dbraw/zinc/78/71/34/451787134.db2.gz CWODXFZIZFGIDD-HKUYNNGSSA-N 2 1 341.459 1.510 20 0 EDADMP C[N@@H+](C[C@H](O)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1)C1CC1 ZINC000641220901 451787137 /nfs/dbraw/zinc/78/71/37/451787137.db2.gz CWODXFZIZFGIDD-HKUYNNGSSA-N 2 1 341.459 1.510 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000639198102 451790366 /nfs/dbraw/zinc/79/03/66/451790366.db2.gz NUQHKNXHKIHFFQ-HNNXBMFYSA-N 2 1 349.450 1.756 20 0 EDADMP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(=O)NCCc1ccccc1 ZINC000639248848 451798231 /nfs/dbraw/zinc/79/82/31/451798231.db2.gz QSXRWYFUCXELEC-INIZCTEOSA-N 2 1 347.503 1.559 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)CNCCC(=O)NC1CCCCC1 ZINC000644526261 451841704 /nfs/dbraw/zinc/84/17/04/451841704.db2.gz RGOGUDBXXNWLAR-LJQANCHMSA-N 2 1 347.503 1.908 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC(=O)NC1CCCCC1 ZINC000644526261 451841710 /nfs/dbraw/zinc/84/17/10/451841710.db2.gz RGOGUDBXXNWLAR-LJQANCHMSA-N 2 1 347.503 1.908 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC(=O)NC1CCCCC1 ZINC000644526261 451841714 /nfs/dbraw/zinc/84/17/14/451841714.db2.gz RGOGUDBXXNWLAR-LJQANCHMSA-N 2 1 347.503 1.908 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnc1C ZINC000637428162 451849755 /nfs/dbraw/zinc/84/97/55/451849755.db2.gz AKYDVLCCIRSSAC-SFHVURJKSA-N 2 1 347.507 1.948 20 0 EDADMP C[NH+](C)[C@@]1(CNC[C@H](O)C[N@H+](C)Cc2ccccc2)CCSC1 ZINC000644583365 451877332 /nfs/dbraw/zinc/87/73/32/451877332.db2.gz VPOIIVMNUKAVAM-ZWKOTPCHSA-N 2 1 337.533 1.506 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649279786 451950949 /nfs/dbraw/zinc/95/09/49/451950949.db2.gz WCHXTSKUBRKRHW-MRXNPFEDSA-N 2 1 337.414 1.884 20 0 EDADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@]2(N)CC[N@@H+](C)C2)cc1 ZINC000649284907 451957925 /nfs/dbraw/zinc/95/79/25/451957925.db2.gz LDTSTUHANLMUGU-GOSISDBHSA-N 2 1 334.464 1.379 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C[C@H]3C[NH+](Cc4ccccc4)CCCO3)[C@@H]2C1 ZINC000644732091 451959005 /nfs/dbraw/zinc/95/90/05/451959005.db2.gz FAAMQHIXJWXASJ-XUVXKRRUSA-N 2 1 329.488 1.913 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)[C@@H]2C1 ZINC000644732091 451959011 /nfs/dbraw/zinc/95/90/11/451959011.db2.gz FAAMQHIXJWXASJ-XUVXKRRUSA-N 2 1 329.488 1.913 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)[C@@H]2C1 ZINC000644732091 451959019 /nfs/dbraw/zinc/95/90/19/451959019.db2.gz FAAMQHIXJWXASJ-XUVXKRRUSA-N 2 1 329.488 1.913 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2C[NH2+]CCOC2)cc1F ZINC000649306898 451983453 /nfs/dbraw/zinc/98/34/53/451983453.db2.gz XZGXCBVATWFZSO-AWEZNQCLSA-N 2 1 332.379 1.172 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000649327001 452006499 /nfs/dbraw/zinc/00/64/99/452006499.db2.gz NIUSDAJFGLERTC-HZPDHXFCSA-N 2 1 331.464 1.047 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000649327240 452007217 /nfs/dbraw/zinc/00/72/17/452007217.db2.gz SKWHWUPEHAXLDG-IMJJTQAJSA-N 2 1 331.464 1.576 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000649328048 452008577 /nfs/dbraw/zinc/00/85/77/452008577.db2.gz WBQNGDYKQXUDFT-KBPBESRZSA-N 2 1 343.435 1.049 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637668258 452009645 /nfs/dbraw/zinc/00/96/45/452009645.db2.gz YSNJIRXQEZMIDK-YOEHRIQHSA-N 2 1 348.495 1.954 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000649331656 452013572 /nfs/dbraw/zinc/01/35/72/452013572.db2.gz KTIAGIZCQNIDJT-QAPCUYQASA-N 2 1 325.497 1.772 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCC2(F)F)[C@@H](C)C1 ZINC000649334408 452014780 /nfs/dbraw/zinc/01/47/80/452014780.db2.gz DKZZZQKLWKZOKG-KKUMJFAQSA-N 2 1 347.450 1.484 20 0 EDADMP O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682103 452020538 /nfs/dbraw/zinc/02/05/38/452020538.db2.gz KSCGGKVSOMKHRW-ZWKOTPCHSA-N 2 1 335.448 1.150 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)[C@H]1c1cccs1 ZINC000649340984 452021520 /nfs/dbraw/zinc/02/15/20/452021520.db2.gz FHXHIPYPGWFRTK-YCPHGPKFSA-N 2 1 337.489 1.483 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]CCOC2)cc1 ZINC000649345066 452026036 /nfs/dbraw/zinc/02/60/36/452026036.db2.gz HTEVWKQXLXILCC-CJNGLKHVSA-N 2 1 328.416 1.594 20 0 EDADMP C[C@@H](CO)C1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639733982 452078291 /nfs/dbraw/zinc/07/82/91/452078291.db2.gz WQIKJFGSWQFEMI-FXAWDEMLSA-N 2 1 332.488 1.964 20 0 EDADMP C[C@@H](CO)C1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639733982 452078295 /nfs/dbraw/zinc/07/82/95/452078295.db2.gz WQIKJFGSWQFEMI-FXAWDEMLSA-N 2 1 332.488 1.964 20 0 EDADMP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)n1 ZINC000649418266 452079621 /nfs/dbraw/zinc/07/96/21/452079621.db2.gz RFNBRNUZZUCHIE-IKGGRYGDSA-N 2 1 345.491 1.627 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649417739 452080324 /nfs/dbraw/zinc/08/03/24/452080324.db2.gz CORKFRYQAQJYKT-JKSUJKDBSA-N 2 1 333.480 1.687 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000639758584 452096271 /nfs/dbraw/zinc/09/62/71/452096271.db2.gz VLHPQKGBVPEJLK-UHFFFAOYSA-N 2 1 334.464 1.269 20 0 EDADMP CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761249 452099309 /nfs/dbraw/zinc/09/93/09/452099309.db2.gz LPUCREQYSNRLHN-IBGZPJMESA-N 2 1 349.475 1.802 20 0 EDADMP CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761249 452099313 /nfs/dbraw/zinc/09/93/13/452099313.db2.gz LPUCREQYSNRLHN-IBGZPJMESA-N 2 1 349.475 1.802 20 0 EDADMP CCc1cc(NC(=O)N2CCC[N@@H+](C3CCN(CC)CC3)CC2)no1 ZINC000643260836 452102399 /nfs/dbraw/zinc/10/23/99/452102399.db2.gz FAMOLWRVPCVTHF-UHFFFAOYSA-N 2 1 349.479 2.261 20 0 EDADMP CCc1cc(NC(=O)N2CCC[N@H+](C3CCN(CC)CC3)CC2)no1 ZINC000643260836 452102403 /nfs/dbraw/zinc/10/24/03/452102403.db2.gz FAMOLWRVPCVTHF-UHFFFAOYSA-N 2 1 349.479 2.261 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@@](C)(c3cccc(F)c3)C2)C1=O ZINC000649481554 452103279 /nfs/dbraw/zinc/10/32/79/452103279.db2.gz LPDHCTHJZDVUNA-QFBILLFUSA-N 2 1 347.434 1.478 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@@](C)(c3cccc(F)c3)C2)C1=O ZINC000649481554 452103283 /nfs/dbraw/zinc/10/32/83/452103283.db2.gz LPDHCTHJZDVUNA-QFBILLFUSA-N 2 1 347.434 1.478 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000643294304 452119984 /nfs/dbraw/zinc/11/99/84/452119984.db2.gz HGSPQXQYUPDZAE-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000643294304 452119992 /nfs/dbraw/zinc/11/99/92/452119992.db2.gz HGSPQXQYUPDZAE-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000643294304 452119995 /nfs/dbraw/zinc/11/99/95/452119995.db2.gz HGSPQXQYUPDZAE-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000643299877 452123252 /nfs/dbraw/zinc/12/32/52/452123252.db2.gz GPMMSJDWWLJXMN-GVDBMIGSSA-N 2 1 340.512 1.347 20 0 EDADMP O[C@@]1(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639813662 452147922 /nfs/dbraw/zinc/14/79/22/452147922.db2.gz JFUKXJAIACLBTJ-PMACEKPBSA-N 2 1 330.472 1.860 20 0 EDADMP O[C@@]1(C[N@H+]2CCC[C@@](O)(C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639813662 452147929 /nfs/dbraw/zinc/14/79/29/452147929.db2.gz JFUKXJAIACLBTJ-PMACEKPBSA-N 2 1 330.472 1.860 20 0 EDADMP O[C@@]1(C[NH+]2CCC[C@@](O)(C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639813662 452147934 /nfs/dbraw/zinc/14/79/34/452147934.db2.gz JFUKXJAIACLBTJ-PMACEKPBSA-N 2 1 330.472 1.860 20 0 EDADMP O[C@@]1(C[NH+]2CCC[C@@](O)(C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639813662 452147939 /nfs/dbraw/zinc/14/79/39/452147939.db2.gz JFUKXJAIACLBTJ-PMACEKPBSA-N 2 1 330.472 1.860 20 0 EDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000643455479 452232543 /nfs/dbraw/zinc/23/25/43/452232543.db2.gz JYGUAGDYDPFDPV-GUDVDZBRSA-N 2 1 338.540 1.293 20 0 EDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000643455479 452232546 /nfs/dbraw/zinc/23/25/46/452232546.db2.gz JYGUAGDYDPFDPV-GUDVDZBRSA-N 2 1 338.540 1.293 20 0 EDADMP C[C@H](O)CCN(C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638009071 452247225 /nfs/dbraw/zinc/24/72/25/452247225.db2.gz YPVYEDLVOJSFSK-INIZCTEOSA-N 2 1 333.476 1.599 20 0 EDADMP CCN(C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000663543673 452247680 /nfs/dbraw/zinc/24/76/80/452247680.db2.gz OOKBZAPXVGXRKE-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP CCN(C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000663543673 452247687 /nfs/dbraw/zinc/24/76/87/452247687.db2.gz OOKBZAPXVGXRKE-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP CCN(C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000663543673 452247692 /nfs/dbraw/zinc/24/76/92/452247692.db2.gz OOKBZAPXVGXRKE-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP CCN(C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000663543673 452247706 /nfs/dbraw/zinc/24/77/06/452247706.db2.gz OOKBZAPXVGXRKE-XHSDSOJGSA-N 2 1 340.512 1.610 20 0 EDADMP CCc1cccc(OC[C@@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000647517896 452251139 /nfs/dbraw/zinc/25/11/39/452251139.db2.gz RZBYPPHSHLYGFP-SFHVURJKSA-N 2 1 336.476 1.425 20 0 EDADMP O=C(CC[NH2+]CCCC[N@@H+]1CCC[C@H]1CO)Nc1ccccc1F ZINC000647522820 452257458 /nfs/dbraw/zinc/25/74/58/452257458.db2.gz GGHPVTIAOGXZMR-HNNXBMFYSA-N 2 1 337.439 1.981 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(N3CCCCC3)nc2)C[C@@H]1[NH3+] ZINC000641804683 452282704 /nfs/dbraw/zinc/28/27/04/452282704.db2.gz ZSQZFZDHVWDAID-LSDHHAIUSA-N 2 1 331.464 1.726 20 0 EDADMP COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641805438 452283562 /nfs/dbraw/zinc/28/35/62/452283562.db2.gz OEBIQATXGLIKLD-KBPBESRZSA-N 2 1 325.840 1.680 20 0 EDADMP C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488252 452284259 /nfs/dbraw/zinc/28/42/59/452284259.db2.gz XGVJXLVTGOOZLI-RIVLEWJDSA-N 2 1 337.508 1.754 20 0 EDADMP C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488252 452284270 /nfs/dbraw/zinc/28/42/70/452284270.db2.gz XGVJXLVTGOOZLI-RIVLEWJDSA-N 2 1 337.508 1.754 20 0 EDADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000641809635 452288192 /nfs/dbraw/zinc/28/81/92/452288192.db2.gz XQJBRVYNMBEGMH-APHBMKBZSA-N 2 1 344.459 1.856 20 0 EDADMP C[C@H](c1ccc(NC(=O)N[C@]2(C)CC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000663586625 452312246 /nfs/dbraw/zinc/31/22/46/452312246.db2.gz PINYVEOGEAAXPO-RDTXWAMCSA-N 2 1 332.448 1.953 20 0 EDADMP C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000659472401 452329968 /nfs/dbraw/zinc/32/99/68/452329968.db2.gz VWWURJGUIOKGHT-TWMKSMIVSA-N 2 1 338.496 1.399 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000665760309 452333541 /nfs/dbraw/zinc/33/35/41/452333541.db2.gz FVUPJYNYZMBHCZ-KLIQENQMSA-N 2 1 344.503 1.896 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000665760309 452333553 /nfs/dbraw/zinc/33/35/53/452333553.db2.gz FVUPJYNYZMBHCZ-KLIQENQMSA-N 2 1 344.503 1.896 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000638059666 452350850 /nfs/dbraw/zinc/35/08/50/452350850.db2.gz VESZUSBIHBXMEO-ROUUACIJSA-N 2 1 349.475 1.038 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638069491 452372606 /nfs/dbraw/zinc/37/26/06/452372606.db2.gz KRGJWBNWGVTUME-AEFFLSMTSA-N 2 1 332.492 1.436 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638069491 452372610 /nfs/dbraw/zinc/37/26/10/452372610.db2.gz KRGJWBNWGVTUME-AEFFLSMTSA-N 2 1 332.492 1.436 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638069491 452372617 /nfs/dbraw/zinc/37/26/17/452372617.db2.gz KRGJWBNWGVTUME-AEFFLSMTSA-N 2 1 332.492 1.436 20 0 EDADMP O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000659513906 452378077 /nfs/dbraw/zinc/37/80/77/452378077.db2.gz MCMHCZUWNHYDDJ-AEFFLSMTSA-N 2 1 346.475 1.052 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000638070712 452378195 /nfs/dbraw/zinc/37/81/95/452378195.db2.gz VGHUBEJSZPCGET-SFHVURJKSA-N 2 1 333.476 1.946 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000638072059 452380162 /nfs/dbraw/zinc/38/01/62/452380162.db2.gz PBYXKVWWMUMKSB-RYQLBKOJSA-N 2 1 333.476 1.719 20 0 EDADMP [NH3+]C[C@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCCOC1 ZINC000638075387 452387366 /nfs/dbraw/zinc/38/73/66/452387366.db2.gz JGDVOBPDVHZADU-LJQANCHMSA-N 2 1 337.508 1.857 20 0 EDADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000638080892 452398346 /nfs/dbraw/zinc/39/83/46/452398346.db2.gz YHTKHCIMDJSTQU-IEBWSBKVSA-N 2 1 333.476 1.910 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659561836 452418633 /nfs/dbraw/zinc/41/86/33/452418633.db2.gz UCDKTIXXCKCNQL-LEOABGAYSA-N 2 1 326.485 1.253 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659561836 452418640 /nfs/dbraw/zinc/41/86/40/452418640.db2.gz UCDKTIXXCKCNQL-LEOABGAYSA-N 2 1 326.485 1.253 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000645473514 452443033 /nfs/dbraw/zinc/44/30/33/452443033.db2.gz RGWJNLINFLYVTC-IBGZPJMESA-N 2 1 345.487 1.798 20 0 EDADMP C[NH+]1CC=C(CNc2cnc(NCC3=CC[N@@H+](C)CC3)cn2)CC1 ZINC000663777325 452508004 /nfs/dbraw/zinc/50/80/04/452508004.db2.gz XORMJMKWBWOKRT-UHFFFAOYSA-N 2 1 328.464 1.824 20 0 EDADMP c1cc2c(cc1CC[NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)OCCO2 ZINC000655690358 452513194 /nfs/dbraw/zinc/51/31/94/452513194.db2.gz MOTPUKUSCHMUID-QGZVFWFLSA-N 2 1 332.444 1.843 20 0 EDADMP CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347965 452522849 /nfs/dbraw/zinc/52/28/49/452522849.db2.gz QCSWQDUEURLIOJ-XQQFMLRXSA-N 2 1 337.386 1.225 20 0 EDADMP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347411 452524024 /nfs/dbraw/zinc/52/40/24/452524024.db2.gz AHTXTUBZFCVOGZ-XZKMEQPCSA-N 2 1 349.519 1.994 20 0 EDADMP CNC(=O)c1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652349031 452524778 /nfs/dbraw/zinc/52/47/78/452524778.db2.gz ZISVIYNSKPCQPQ-BZSNNMDCSA-N 2 1 331.460 1.765 20 0 EDADMP C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1nnc2n1CCCCC2 ZINC000655707870 452526095 /nfs/dbraw/zinc/52/60/95/452526095.db2.gz GNCNWFCEZJKBBC-KRWDZBQOSA-N 2 1 347.507 1.780 20 0 EDADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)[C@H]1CC[NH3+] ZINC000652354119 452532746 /nfs/dbraw/zinc/53/27/46/452532746.db2.gz NLPCTGCFBLPUHP-BBRMVZONSA-N 2 1 332.448 1.563 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654487283 452559753 /nfs/dbraw/zinc/55/97/53/452559753.db2.gz FGVQZVKKCLOFPR-NMNMXBMNSA-N 2 1 338.496 1.266 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654487283 452559763 /nfs/dbraw/zinc/55/97/63/452559763.db2.gz FGVQZVKKCLOFPR-NMNMXBMNSA-N 2 1 338.496 1.266 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654487283 452559772 /nfs/dbraw/zinc/55/97/72/452559772.db2.gz FGVQZVKKCLOFPR-NMNMXBMNSA-N 2 1 338.496 1.266 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654487283 452559782 /nfs/dbraw/zinc/55/97/82/452559782.db2.gz FGVQZVKKCLOFPR-NMNMXBMNSA-N 2 1 338.496 1.266 20 0 EDADMP C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)CCN1CC[NH2+]CC1 ZINC000647835540 452572724 /nfs/dbraw/zinc/57/27/24/452572724.db2.gz AMZGHVAEEMMJCC-UHFFFAOYSA-N 2 1 349.866 1.770 20 0 EDADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835408 452572808 /nfs/dbraw/zinc/57/28/08/452572808.db2.gz XJARAIASKBNFDI-MRXNPFEDSA-N 2 1 332.492 1.974 20 0 EDADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835408 452572816 /nfs/dbraw/zinc/57/28/16/452572816.db2.gz XJARAIASKBNFDI-MRXNPFEDSA-N 2 1 332.492 1.974 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659698374 452581933 /nfs/dbraw/zinc/58/19/33/452581933.db2.gz KDPGWISQVWITOA-GASCZTMLSA-N 2 1 340.512 1.056 20 0 EDADMP C[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654596176 452684561 /nfs/dbraw/zinc/68/45/61/452684561.db2.gz KEVDDWQLGFKNDI-CGLCSIQHSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654596176 452684566 /nfs/dbraw/zinc/68/45/66/452684566.db2.gz KEVDDWQLGFKNDI-CGLCSIQHSA-N 2 1 340.512 1.656 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661955825 452717408 /nfs/dbraw/zinc/71/74/08/452717408.db2.gz RPNZCRQANFGTMW-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661955825 452717414 /nfs/dbraw/zinc/71/74/14/452717414.db2.gz RPNZCRQANFGTMW-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661955825 452717420 /nfs/dbraw/zinc/71/74/20/452717420.db2.gz RPNZCRQANFGTMW-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661955825 452717426 /nfs/dbraw/zinc/71/74/26/452717426.db2.gz RPNZCRQANFGTMW-XHSDSOJGSA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000652522606 452724168 /nfs/dbraw/zinc/72/41/68/452724168.db2.gz ONCPHPFSADBYIU-HXUWFJFHSA-N 2 1 347.503 1.718 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000652522606 452724176 /nfs/dbraw/zinc/72/41/76/452724176.db2.gz ONCPHPFSADBYIU-HXUWFJFHSA-N 2 1 347.503 1.718 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000652522606 452724186 /nfs/dbraw/zinc/72/41/86/452724186.db2.gz ONCPHPFSADBYIU-HXUWFJFHSA-N 2 1 347.503 1.718 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654648176 452739699 /nfs/dbraw/zinc/73/96/99/452739699.db2.gz KBEMYFMKWDYXIH-YESZJQIVSA-N 2 1 342.528 1.713 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654648176 452739706 /nfs/dbraw/zinc/73/97/06/452739706.db2.gz KBEMYFMKWDYXIH-YESZJQIVSA-N 2 1 342.528 1.713 20 0 EDADMP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138427 452745973 /nfs/dbraw/zinc/74/59/73/452745973.db2.gz NEBMKPLALFZGTB-ZWKOTPCHSA-N 2 1 329.448 1.413 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000655971174 452752458 /nfs/dbraw/zinc/75/24/58/452752458.db2.gz VKPBQKZXVUTLBX-IBEHDNSVSA-N 2 1 326.485 1.253 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000655971174 452752465 /nfs/dbraw/zinc/75/24/65/452752465.db2.gz VKPBQKZXVUTLBX-IBEHDNSVSA-N 2 1 326.485 1.253 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654656673 452770771 /nfs/dbraw/zinc/77/07/71/452770771.db2.gz XQEIJBLRODWNQW-NCOADZHNSA-N 2 1 340.512 1.608 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654656673 452770778 /nfs/dbraw/zinc/77/07/78/452770778.db2.gz XQEIJBLRODWNQW-NCOADZHNSA-N 2 1 340.512 1.608 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654656673 452770786 /nfs/dbraw/zinc/77/07/86/452770786.db2.gz XQEIJBLRODWNQW-NCOADZHNSA-N 2 1 340.512 1.608 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654656673 452770794 /nfs/dbraw/zinc/77/07/94/452770794.db2.gz XQEIJBLRODWNQW-NCOADZHNSA-N 2 1 340.512 1.608 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[C@@H](C)[NH+](C)C)[C@H](C)C1 ZINC000664141247 452818447 /nfs/dbraw/zinc/81/84/47/452818447.db2.gz LIVBUOQPSXJPTO-ZACQAIPSSA-N 2 1 342.528 1.763 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[C@H]3C[NH3+])CC2)cn1 ZINC000648152963 452865775 /nfs/dbraw/zinc/86/57/75/452865775.db2.gz SRCUFLVWXLUSKL-ROUUACIJSA-N 2 1 347.507 1.702 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[C@H]3C[NH3+])CC2)cn1 ZINC000648152963 452865781 /nfs/dbraw/zinc/86/57/81/452865781.db2.gz SRCUFLVWXLUSKL-ROUUACIJSA-N 2 1 347.507 1.702 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC[N@H+]2C2CC2)c1 ZINC000648161579 452871808 /nfs/dbraw/zinc/87/18/08/452871808.db2.gz NBAMYTHYGXMXMP-ZWJWXYIHSA-N 2 1 341.455 1.555 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@]1(C)CO ZINC000662146645 452880507 /nfs/dbraw/zinc/88/05/07/452880507.db2.gz STRWXFOGCRAMDA-HHXXYDBFSA-N 2 1 333.476 1.356 20 0 EDADMP [NH3+]CCOCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000645961631 452940977 /nfs/dbraw/zinc/94/09/77/452940977.db2.gz FWAQXENCJFFOQZ-MRXNPFEDSA-N 2 1 339.867 1.786 20 0 EDADMP [NH3+]CCOCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000645961631 452940982 /nfs/dbraw/zinc/94/09/82/452940982.db2.gz FWAQXENCJFFOQZ-MRXNPFEDSA-N 2 1 339.867 1.786 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@@H](Cc2ccccc2)C1 ZINC000650725131 452953970 /nfs/dbraw/zinc/95/39/70/452953970.db2.gz UDHJRFVXCLLDJH-MSOLQXFVSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@@H](Cc2ccccc2)C1 ZINC000650725131 452953974 /nfs/dbraw/zinc/95/39/74/452953974.db2.gz UDHJRFVXCLLDJH-MSOLQXFVSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000650725131 452953978 /nfs/dbraw/zinc/95/39/78/452953978.db2.gz UDHJRFVXCLLDJH-MSOLQXFVSA-N 2 1 330.476 1.649 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000650725131 452953984 /nfs/dbraw/zinc/95/39/84/452953984.db2.gz UDHJRFVXCLLDJH-MSOLQXFVSA-N 2 1 330.476 1.649 20 0 EDADMP CO[C@]1(C)C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664280791 452962703 /nfs/dbraw/zinc/96/27/03/452962703.db2.gz IOMKIVAOHTYPMJ-RLFYNMQTSA-N 2 1 342.528 1.761 20 0 EDADMP CCOc1ccccc1N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662258136 452985812 /nfs/dbraw/zinc/98/58/12/452985812.db2.gz ILYIKPHGAFWCJH-INIZCTEOSA-N 2 1 331.460 1.728 20 0 EDADMP O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255651 452986222 /nfs/dbraw/zinc/98/62/22/452986222.db2.gz ZRRQASAMFQRNEM-HOTGVXAUSA-N 2 1 348.422 1.543 20 0 EDADMP c1nnc([C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)[nH]1 ZINC000656261715 452997229 /nfs/dbraw/zinc/99/72/29/452997229.db2.gz DKZPNDIHAUGTKM-MSOLQXFVSA-N 2 1 341.459 1.780 20 0 EDADMP O[C@@H]1C[C@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CC[N@H+]2C1 ZINC000656272947 453002400 /nfs/dbraw/zinc/00/24/00/453002400.db2.gz LBSIRPYCLODNIR-RBUKOAKNSA-N 2 1 345.487 1.412 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CCC1 ZINC000662280625 453004637 /nfs/dbraw/zinc/00/46/37/453004637.db2.gz GGXZAEUBZSOIRH-YESZJQIVSA-N 2 1 336.480 1.022 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)[N@H+]1CCCC[C@@H]1C ZINC000666627444 453020540 /nfs/dbraw/zinc/02/05/40/453020540.db2.gz RSWQFGLOFKHJNB-UONOGXRCSA-N 2 1 332.448 1.463 20 0 EDADMP CCCCNC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328112 453048213 /nfs/dbraw/zinc/04/82/13/453048213.db2.gz OMIVJFKFUCUDHF-UHFFFAOYSA-N 2 1 347.507 1.972 20 0 EDADMP CCCCNC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328112 453048232 /nfs/dbraw/zinc/04/82/32/453048232.db2.gz OMIVJFKFUCUDHF-UHFFFAOYSA-N 2 1 347.507 1.972 20 0 EDADMP CCc1cnc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)o1 ZINC000662337059 453053403 /nfs/dbraw/zinc/05/34/03/453053403.db2.gz IYDFFVSNXNCRAW-AWEZNQCLSA-N 2 1 344.463 1.749 20 0 EDADMP CCc1cnc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)o1 ZINC000662337059 453053417 /nfs/dbraw/zinc/05/34/17/453053417.db2.gz IYDFFVSNXNCRAW-AWEZNQCLSA-N 2 1 344.463 1.749 20 0 EDADMP C[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662357040 453071948 /nfs/dbraw/zinc/07/19/48/453071948.db2.gz SKAIDIDHLVIKGG-ZDUSSCGKSA-N 2 1 326.238 1.659 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662388066 453099073 /nfs/dbraw/zinc/09/90/73/453099073.db2.gz YRUASVNQQLEWIW-GASCZTMLSA-N 2 1 348.495 1.300 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NC1CC[NH+](C3CC3)CC1)CCOCC2 ZINC000646100957 453101640 /nfs/dbraw/zinc/10/16/40/453101640.db2.gz SLNISVMSCPDUQF-OAHLLOKOSA-N 2 1 335.492 1.620 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662407146 453118875 /nfs/dbraw/zinc/11/88/75/453118875.db2.gz TUSRVJFXVXSIEI-ZWNOBZJWSA-N 2 1 326.238 1.659 20 0 EDADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000656499418 453227774 /nfs/dbraw/zinc/22/77/74/453227774.db2.gz LUDVFVRRSQVSEN-UFYCRDLUSA-N 2 1 329.488 1.786 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000648749797 453231556 /nfs/dbraw/zinc/23/15/56/453231556.db2.gz VCKJYTOCYBOPIR-CRAIPNDOSA-N 2 1 330.476 1.713 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653059125 453237298 /nfs/dbraw/zinc/23/72/98/453237298.db2.gz VPKBMWNVSCZJIY-IRXDYDNUSA-N 2 1 335.492 1.668 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](CCC)C2)CC[N@H+]1CCOC ZINC000666924300 453251414 /nfs/dbraw/zinc/25/14/14/453251414.db2.gz BSRYANDFQCNYOW-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CCC)C2)CC[NH+]1CCOC ZINC000666924300 453251423 /nfs/dbraw/zinc/25/14/23/453251423.db2.gz BSRYANDFQCNYOW-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCC)C2)CC[NH+]1CCOC ZINC000666924300 453251431 /nfs/dbraw/zinc/25/14/31/453251431.db2.gz BSRYANDFQCNYOW-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000662563037 453290850 /nfs/dbraw/zinc/29/08/50/453290850.db2.gz YXCPTYNBDGGNKV-MRXNPFEDSA-N 2 1 341.415 1.323 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000653108655 453293726 /nfs/dbraw/zinc/29/37/26/453293726.db2.gz CSNRMHKHGPZMGY-QFBILLFUSA-N 2 1 346.519 1.814 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000653119443 453308580 /nfs/dbraw/zinc/30/85/80/453308580.db2.gz JZOPLGQZAOKDHL-CVEARBPZSA-N 2 1 330.432 1.656 20 0 EDADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000646319576 453314689 /nfs/dbraw/zinc/31/46/89/453314689.db2.gz LMKPDRJOSAHQBB-SJORKVTESA-N 2 1 337.508 1.963 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000646319576 453314699 /nfs/dbraw/zinc/31/46/99/453314699.db2.gz LMKPDRJOSAHQBB-SJORKVTESA-N 2 1 337.508 1.963 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000646319576 453314706 /nfs/dbraw/zinc/31/47/06/453314706.db2.gz LMKPDRJOSAHQBB-SJORKVTESA-N 2 1 337.508 1.963 20 0 EDADMP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000651191276 453341453 /nfs/dbraw/zinc/34/14/53/453341453.db2.gz SMIPCNZDMKYKMR-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000651191276 453341459 /nfs/dbraw/zinc/34/14/59/453341459.db2.gz SMIPCNZDMKYKMR-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655242664 453363177 /nfs/dbraw/zinc/36/31/77/453363177.db2.gz CSLFIBPBAFVPSR-HRCADAONSA-N 2 1 333.476 1.976 20 0 EDADMP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655242664 453363183 /nfs/dbraw/zinc/36/31/83/453363183.db2.gz CSLFIBPBAFVPSR-HRCADAONSA-N 2 1 333.476 1.976 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000662700584 453422336 /nfs/dbraw/zinc/42/23/36/453422336.db2.gz WCQXJJHWLIVHNY-SJORKVTESA-N 2 1 344.459 1.530 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)[NH+]1CCOCC1 ZINC000646482097 453427286 /nfs/dbraw/zinc/42/72/86/453427286.db2.gz RRBMPXWFUNUEFP-HYVNUMGLSA-N 2 1 325.497 1.674 20 0 EDADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000662716558 453440454 /nfs/dbraw/zinc/44/04/54/453440454.db2.gz DJZFCGOLJIIFME-ZIAGYGMSSA-N 2 1 335.473 1.065 20 0 EDADMP COc1cccc([C@]2(C)CC[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)c1 ZINC000656792125 453448044 /nfs/dbraw/zinc/44/80/44/453448044.db2.gz NTGUVADTFULWAH-OXQOHEQNSA-N 2 1 345.487 1.856 20 0 EDADMP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cccc2c1CC[NH2+]C2 ZINC000662731355 453456943 /nfs/dbraw/zinc/45/69/43/453456943.db2.gz CTZZFYLRUZGGNK-OALUTQOASA-N 2 1 343.471 1.706 20 0 EDADMP C[C@H]([NH3+])c1ccc(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000646555112 453466599 /nfs/dbraw/zinc/46/65/99/453466599.db2.gz KVMDQHFQLRKLEP-ZDUSSCGKSA-N 2 1 327.432 1.839 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC[C@H]1F ZINC000662747780 453477394 /nfs/dbraw/zinc/47/73/94/453477394.db2.gz BEJACIOTHWMMHP-DJIMGWMZSA-N 2 1 337.414 1.935 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662757069 453493949 /nfs/dbraw/zinc/49/39/49/453493949.db2.gz KEUZHZRJAVAOQW-QZTJIDSGSA-N 2 1 346.475 1.126 20 0 EDADMP CCC[C@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC[N@H+]1CCOC ZINC000662825526 453553200 /nfs/dbraw/zinc/55/32/00/453553200.db2.gz JNBMYCMRHIPHDC-GJZGRUSLSA-N 2 1 349.479 1.060 20 0 EDADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662836719 453562688 /nfs/dbraw/zinc/56/26/88/453562688.db2.gz COUMHUAYQXPWTR-DBDOFBCQSA-N 2 1 335.492 1.652 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000662857355 453572590 /nfs/dbraw/zinc/57/25/90/453572590.db2.gz AIVYUTWCAGFWHD-KZNAEPCWSA-N 2 1 331.460 1.387 20 0 EDADMP O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662857583 453574026 /nfs/dbraw/zinc/57/40/26/453574026.db2.gz BKKQASGKVBEFGW-SJLPKXTDSA-N 2 1 331.460 1.259 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000662867895 453579850 /nfs/dbraw/zinc/57/98/50/453579850.db2.gz OUKYXZLVZAYGHP-BMGDILEWSA-N 2 1 348.466 1.023 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659034555 453591401 /nfs/dbraw/zinc/59/14/01/453591401.db2.gz OGGLPFDYCZCKAH-RHSMWYFYSA-N 2 1 332.448 1.811 20 0 EDADMP C[NH+](C)C1CCC(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000665173616 453600531 /nfs/dbraw/zinc/60/05/31/453600531.db2.gz UKWNZZLDGQZYCO-DQPZFDDXSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)C[NH+]1CCOCC1 ZINC000660850347 453608284 /nfs/dbraw/zinc/60/82/84/453608284.db2.gz UOZSSHLSXWIYHW-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)C[NH+]1CCOCC1 ZINC000660850347 453608287 /nfs/dbraw/zinc/60/82/87/453608287.db2.gz UOZSSHLSXWIYHW-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000665290526 453637392 /nfs/dbraw/zinc/63/73/92/453637392.db2.gz CCDKMKUGLTZNGM-LLVKDONJSA-N 2 1 345.403 1.156 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1(C)C ZINC000663003280 453643880 /nfs/dbraw/zinc/64/38/80/453643880.db2.gz LGCBJXYZTHKSPP-MDZRGWNJSA-N 2 1 337.508 1.757 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000665552780 453744379 /nfs/dbraw/zinc/74/43/79/453744379.db2.gz IMQPRKIJTBYPQZ-MRXNPFEDSA-N 2 1 341.544 1.384 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665552780 453744384 /nfs/dbraw/zinc/74/43/84/453744384.db2.gz IMQPRKIJTBYPQZ-MRXNPFEDSA-N 2 1 341.544 1.384 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665552780 453744391 /nfs/dbraw/zinc/74/43/91/453744391.db2.gz IMQPRKIJTBYPQZ-MRXNPFEDSA-N 2 1 341.544 1.384 20 0 EDADMP CN(CCCN(C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)CC[NH+](C)C ZINC000665552780 453744395 /nfs/dbraw/zinc/74/43/95/453744395.db2.gz IMQPRKIJTBYPQZ-MRXNPFEDSA-N 2 1 341.544 1.384 20 0 EDADMP CN(CCCN(C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)CC[NH+](C)C ZINC000665552780 453744401 /nfs/dbraw/zinc/74/44/01/453744401.db2.gz IMQPRKIJTBYPQZ-MRXNPFEDSA-N 2 1 341.544 1.384 20 0 EDADMP Cn1nc(C(F)(F)F)cc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000657348228 453771434 /nfs/dbraw/zinc/77/14/34/453771434.db2.gz OMRVXKJUDJCCLJ-UHFFFAOYSA-N 2 1 347.429 1.802 20 0 EDADMP CN(C(=O)CC[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000663358993 453777570 /nfs/dbraw/zinc/77/75/70/453777570.db2.gz BQPZEYIYYAFQPV-MRXNPFEDSA-N 2 1 346.475 1.217 20 0 EDADMP Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663363086 453780233 /nfs/dbraw/zinc/78/02/33/453780233.db2.gz GXPOPDYPNFXAFV-ZWKOTPCHSA-N 2 1 334.460 1.578 20 0 EDADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c(OC)c1 ZINC000663499593 453810687 /nfs/dbraw/zinc/81/06/87/453810687.db2.gz ZANKKOUSKDPYTO-ZVLZOBCMSA-N 2 1 333.432 1.763 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC[C@@H]1CCS(=O)(=O)C1 ZINC000683224215 486661869 /nfs/dbraw/zinc/66/18/69/486661869.db2.gz FIYRRLSNNAMFJO-OAHLLOKOSA-N 2 1 327.494 1.982 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC[C@@H]1CCS(=O)(=O)C1 ZINC000683224215 486661872 /nfs/dbraw/zinc/66/18/72/486661872.db2.gz FIYRRLSNNAMFJO-OAHLLOKOSA-N 2 1 327.494 1.982 20 0 EDADMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cn1 ZINC000414111358 486712194 /nfs/dbraw/zinc/71/21/94/486712194.db2.gz IYWBQMBEAAQKML-OAHLLOKOSA-N 2 1 348.491 1.554 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000676698751 486845387 /nfs/dbraw/zinc/84/53/87/486845387.db2.gz PNSRWBBUSUXXQD-APWZRJJASA-N 2 1 348.535 1.678 20 0 EDADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)CC1 ZINC000676698751 486845391 /nfs/dbraw/zinc/84/53/91/486845391.db2.gz PNSRWBBUSUXXQD-APWZRJJASA-N 2 1 348.535 1.678 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)CC1 ZINC000676698751 486845393 /nfs/dbraw/zinc/84/53/93/486845393.db2.gz PNSRWBBUSUXXQD-APWZRJJASA-N 2 1 348.535 1.678 20 0 EDADMP CN1CCC([NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000676698751 486845396 /nfs/dbraw/zinc/84/53/96/486845396.db2.gz PNSRWBBUSUXXQD-APWZRJJASA-N 2 1 348.535 1.678 20 0 EDADMP CN1CCC([NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000676698751 486845400 /nfs/dbraw/zinc/84/54/00/486845400.db2.gz PNSRWBBUSUXXQD-APWZRJJASA-N 3 1 348.535 1.678 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnc3c(c2)C[NH2+]CC3)[C@H](C)C1 ZINC000667799541 486970044 /nfs/dbraw/zinc/97/00/44/486970044.db2.gz XQMILADSTMMXEY-CXAGYDPISA-N 2 1 331.464 1.921 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccnc(OC)c1 ZINC000667812753 486978238 /nfs/dbraw/zinc/97/82/38/486978238.db2.gz VXFHUKWUIKRLLN-QGZVFWFLSA-N 2 1 348.491 1.507 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1 ZINC000684199323 486983087 /nfs/dbraw/zinc/98/30/87/486983087.db2.gz NLYOXIRKDDASNB-IAGOWNOFSA-N 2 1 332.496 1.027 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000667837861 486987511 /nfs/dbraw/zinc/98/75/11/486987511.db2.gz SCYIUWDPPBHENJ-UHFFFAOYSA-N 2 1 348.447 1.355 20 0 EDADMP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)NS(C)(=O)=O ZINC000109040882 487265525 /nfs/dbraw/zinc/26/55/25/487265525.db2.gz FEUFUCKWSUEDNM-UHFFFAOYSA-N 2 1 339.505 1.568 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000681978320 487270726 /nfs/dbraw/zinc/27/07/26/487270726.db2.gz VEQMQAXUBJXEBV-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000678294202 487284489 /nfs/dbraw/zinc/28/44/89/487284489.db2.gz SHBRSFUDXXWLLN-FUHWJXTLSA-N 2 1 343.471 1.791 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000678294202 487284491 /nfs/dbraw/zinc/28/44/91/487284491.db2.gz SHBRSFUDXXWLLN-FUHWJXTLSA-N 2 1 343.471 1.791 20 0 EDADMP Cc1cnn([C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)c1 ZINC000685611848 487302855 /nfs/dbraw/zinc/30/28/55/487302855.db2.gz IIOYEYYACKRGOM-QGZVFWFLSA-N 2 1 331.464 1.181 20 0 EDADMP Cc1cnn([C@@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)c1 ZINC000685611848 487302859 /nfs/dbraw/zinc/30/28/59/487302859.db2.gz IIOYEYYACKRGOM-QGZVFWFLSA-N 2 1 331.464 1.181 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682166109 487312459 /nfs/dbraw/zinc/31/24/59/487312459.db2.gz IZLJOTALVONNRJ-UHFFFAOYSA-N 2 1 329.448 1.464 20 0 EDADMP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]3CCCC3)ccc2NC1=O ZINC000678785350 487364035 /nfs/dbraw/zinc/36/40/35/487364035.db2.gz AIPIZKXLRHPSRW-KMFMINBZSA-N 2 1 347.459 1.903 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000675178383 487385476 /nfs/dbraw/zinc/38/54/76/487385476.db2.gz POXMQSOXOWYPQL-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP Cc1ccc2c(c1)CC[N@@H+]([C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O)C2 ZINC000682845154 487421432 /nfs/dbraw/zinc/42/14/32/487421432.db2.gz KBANKLITGRYZTE-QGZVFWFLSA-N 2 1 329.444 1.432 20 0 EDADMP Cc1ccc2c(c1)CC[N@H+]([C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O)C2 ZINC000682845154 487421435 /nfs/dbraw/zinc/42/14/35/487421435.db2.gz KBANKLITGRYZTE-QGZVFWFLSA-N 2 1 329.444 1.432 20 0 EDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675898282 487457658 /nfs/dbraw/zinc/45/76/58/487457658.db2.gz KSXFEPNIXNNDFM-FXAWDEMLSA-N 3 1 331.504 1.943 20 0 EDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675898282 487457659 /nfs/dbraw/zinc/45/76/59/487457659.db2.gz KSXFEPNIXNNDFM-FXAWDEMLSA-N 3 1 331.504 1.943 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000668942716 485476203 /nfs/dbraw/zinc/47/62/03/485476203.db2.gz MFEZOEOXCQWOSF-HUUCEWRRSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@H](NC(=O)NC/C=C\C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669533035 485508686 /nfs/dbraw/zinc/50/86/86/485508686.db2.gz KVONXKULMBEVFB-PLQXZHKYSA-N 2 1 346.475 1.480 20 0 EDADMP CC[C@H](NC(=O)NC/C=C\C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669533035 485508694 /nfs/dbraw/zinc/50/86/94/485508694.db2.gz KVONXKULMBEVFB-PLQXZHKYSA-N 2 1 346.475 1.480 20 0 EDADMP Cc1cc(CNC(=O)N[C@H]2CCC[NH2+]CC2)cc(N2CCCC2)[nH+]1 ZINC000669588622 485643357 /nfs/dbraw/zinc/64/33/57/485643357.db2.gz RNXWWFKVGVNGAK-INIZCTEOSA-N 2 1 331.464 1.932 20 0 EDADMP CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000669145101 485733294 /nfs/dbraw/zinc/73/32/94/485733294.db2.gz IVNVZLDDKRPQFF-GJZGRUSLSA-N 2 1 340.512 1.022 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000669389682 486025745 /nfs/dbraw/zinc/02/57/45/486025745.db2.gz UDQXORGNWBISIE-DZGCQCFKSA-N 2 1 336.505 1.936 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000669389682 486025752 /nfs/dbraw/zinc/02/57/52/486025752.db2.gz UDQXORGNWBISIE-DZGCQCFKSA-N 2 1 336.505 1.936 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000669403295 486073528 /nfs/dbraw/zinc/07/35/28/486073528.db2.gz SODFCYZUYIDCNI-CGTJXYLNSA-N 2 1 348.466 1.912 20 0 EDADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629174137 486115042 /nfs/dbraw/zinc/11/50/42/486115042.db2.gz MKBDYUSSVATSIN-CYBMUJFWSA-N 2 1 331.416 1.291 20 0 EDADMP [NH3+]C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000669459228 486213230 /nfs/dbraw/zinc/21/32/30/486213230.db2.gz VTZDZGMZDORHHD-MSOLQXFVSA-N 2 1 330.476 1.541 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133000597 491218380 /nfs/dbraw/zinc/21/83/80/491218380.db2.gz GZXKTKRIKWIJFR-RDJZCZTQSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000133000597 491218374 /nfs/dbraw/zinc/21/83/74/491218374.db2.gz GZXKTKRIKWIJFR-RDJZCZTQSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000133000597 491218376 /nfs/dbraw/zinc/21/83/76/491218376.db2.gz GZXKTKRIKWIJFR-RDJZCZTQSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000133000597 491218377 /nfs/dbraw/zinc/21/83/77/491218377.db2.gz GZXKTKRIKWIJFR-RDJZCZTQSA-N 2 1 340.512 1.659 20 0 EDADMP CC(=O)N1CCN(C[C@H](O)C[N@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC000305779419 491245547 /nfs/dbraw/zinc/24/55/47/491245547.db2.gz RQNJHDYQTJKRJW-GOSISDBHSA-N 2 1 333.476 1.422 20 0 EDADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000186839175 528988986 /nfs/dbraw/zinc/98/89/86/528988986.db2.gz ZOEMGWDDDAQBKP-ROUUACIJSA-N 2 1 333.476 1.590 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000186839175 528988993 /nfs/dbraw/zinc/98/89/93/528988993.db2.gz ZOEMGWDDDAQBKP-ROUUACIJSA-N 2 1 333.476 1.590 20 0 EDADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000186839175 528988998 /nfs/dbraw/zinc/98/89/98/528988998.db2.gz ZOEMGWDDDAQBKP-ROUUACIJSA-N 2 1 333.476 1.590 20 0 EDADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000186839175 528989003 /nfs/dbraw/zinc/98/90/03/528989003.db2.gz ZOEMGWDDDAQBKP-ROUUACIJSA-N 2 1 333.476 1.590 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](CC3CC3)C2)C1 ZINC000339675567 535118434 /nfs/dbraw/zinc/11/84/34/535118434.db2.gz DSJPAOWOWVJVSE-QZTJIDSGSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](CC3CC3)C2)C1 ZINC000339675567 535118438 /nfs/dbraw/zinc/11/84/38/535118438.db2.gz DSJPAOWOWVJVSE-QZTJIDSGSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](CC3CC3)C2)C1 ZINC000339675567 535118441 /nfs/dbraw/zinc/11/84/41/535118441.db2.gz DSJPAOWOWVJVSE-QZTJIDSGSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000346031952 535218742 /nfs/dbraw/zinc/21/87/42/535218742.db2.gz NDBFOGQWECGVHM-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000346031952 535218747 /nfs/dbraw/zinc/21/87/47/535218747.db2.gz NDBFOGQWECGVHM-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000346031952 535218751 /nfs/dbraw/zinc/21/87/51/535218751.db2.gz NDBFOGQWECGVHM-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000346031952 535218755 /nfs/dbraw/zinc/21/87/55/535218755.db2.gz NDBFOGQWECGVHM-IBGZPJMESA-N 2 1 345.487 1.830 20 0 EDADMP CC1CCC(NC(=O)C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)CC1 ZINC000333543006 535262059 /nfs/dbraw/zinc/26/20/59/535262059.db2.gz IEQBPYBMKJYHGJ-UHFFFAOYSA-N 2 1 345.491 1.818 20 0 EDADMP CCC[C@@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000236798752 535348339 /nfs/dbraw/zinc/34/83/39/535348339.db2.gz JUHWYEPSNWENDW-QGZVFWFLSA-N 2 1 346.475 1.459 20 0 EDADMP CC[C@@H](C(=O)NCCC[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000339368285 535410344 /nfs/dbraw/zinc/41/03/44/535410344.db2.gz XRPGIFMGBTUHTD-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP CC[C@@H](C(=O)NCCC[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000339368285 535410350 /nfs/dbraw/zinc/41/03/50/535410350.db2.gz XRPGIFMGBTUHTD-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](c2nc([C@@H]([NH3+])CC(C)C)no2)CC1=O ZINC000339389073 535551208 /nfs/dbraw/zinc/55/12/08/535551208.db2.gz MKIMCYVAIJBANJ-ZNMIVQPWSA-N 2 1 349.479 1.916 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]([NH3+])C(C)C)cc2)CC1 ZINC000353181393 535620130 /nfs/dbraw/zinc/62/01/30/535620130.db2.gz HMLJRDZNWKTTJD-GOSISDBHSA-N 2 1 346.475 1.315 20 0 EDADMP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261749774 535709505 /nfs/dbraw/zinc/70/95/05/535709505.db2.gz UOUDSQIQOKEERS-MRXNPFEDSA-N 2 1 347.459 1.575 20 0 EDADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261749774 535709513 /nfs/dbraw/zinc/70/95/13/535709513.db2.gz UOUDSQIQOKEERS-MRXNPFEDSA-N 2 1 347.459 1.575 20 0 EDADMP CC[C@H](NC(=O)[C@H](C)C[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237030979 535840365 /nfs/dbraw/zinc/84/03/65/535840365.db2.gz SMXLIMYCYAWUTN-NJAFHUGGSA-N 2 1 333.476 1.638 20 0 EDADMP CC[C@H](NC(=O)[C@H](C)C[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237030979 535840368 /nfs/dbraw/zinc/84/03/68/535840368.db2.gz SMXLIMYCYAWUTN-NJAFHUGGSA-N 2 1 333.476 1.638 20 0 EDADMP CN(C)c1cccc([C@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)c1 ZINC000262083129 536151070 /nfs/dbraw/zinc/15/10/70/536151070.db2.gz KVKXXOAJIKTLLW-GOSISDBHSA-N 2 1 330.476 1.711 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)CC1 ZINC000346708929 536402586 /nfs/dbraw/zinc/40/25/86/536402586.db2.gz SHRXYHYWFCFMOY-LMMKCTJWSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)CC1 ZINC000346708929 536402587 /nfs/dbraw/zinc/40/25/87/536402587.db2.gz SHRXYHYWFCFMOY-LMMKCTJWSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000269933579 536403785 /nfs/dbraw/zinc/40/37/85/536403785.db2.gz DSGGZYPHGLUCJN-PKOBYXMFSA-N 2 1 345.487 1.908 20 0 EDADMP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262006898 536628884 /nfs/dbraw/zinc/62/88/84/536628884.db2.gz VDAAYLPTOYXKQC-QRVBRYPASA-N 2 1 334.460 1.959 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000247657095 536860416 /nfs/dbraw/zinc/86/04/16/536860416.db2.gz YUQWOOJGKYSXTM-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000247657095 536860421 /nfs/dbraw/zinc/86/04/21/536860421.db2.gz YUQWOOJGKYSXTM-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000247657095 536860424 /nfs/dbraw/zinc/86/04/24/536860424.db2.gz YUQWOOJGKYSXTM-IXDOHACOSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000743587846 579484781 /nfs/dbraw/zinc/48/47/81/579484781.db2.gz SUCQBYSZHWSJCA-IBGZPJMESA-N 2 1 346.519 1.750 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC[N@@H+](C)C(C)C ZINC000726238530 578337525 /nfs/dbraw/zinc/33/75/25/578337525.db2.gz ZCRTYRGMRHBFKE-UHFFFAOYSA-N 2 1 330.436 1.715 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC[N@H+](C)C(C)C ZINC000726238530 578337526 /nfs/dbraw/zinc/33/75/26/578337526.db2.gz ZCRTYRGMRHBFKE-UHFFFAOYSA-N 2 1 330.436 1.715 20 0 EDADMP COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000726692803 578354638 /nfs/dbraw/zinc/35/46/38/578354638.db2.gz IYCLOFPKHDWOPQ-WMZOPIPTSA-N 2 1 334.460 1.754 20 0 EDADMP COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000726692803 578354640 /nfs/dbraw/zinc/35/46/40/578354640.db2.gz IYCLOFPKHDWOPQ-WMZOPIPTSA-N 2 1 334.460 1.754 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729683386 578587332 /nfs/dbraw/zinc/58/73/32/578587332.db2.gz MCQLPKZVDOMTJE-JYJNAYRXSA-N 2 1 339.480 1.839 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729683386 578587333 /nfs/dbraw/zinc/58/73/33/578587333.db2.gz MCQLPKZVDOMTJE-JYJNAYRXSA-N 2 1 339.480 1.839 20 0 EDADMP C[NH+](C)CCOC1CC[NH+](CN2C(=O)CC3(CCCC3)C2=O)CC1 ZINC000738207714 579172059 /nfs/dbraw/zinc/17/20/59/579172059.db2.gz FHURIYSHOQACSP-UHFFFAOYSA-N 2 1 337.464 1.306 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000761550475 580059144 /nfs/dbraw/zinc/05/91/44/580059144.db2.gz OFVRNWYSHKBPRM-CVEARBPZSA-N 2 1 342.553 1.436 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000761550475 580059145 /nfs/dbraw/zinc/05/91/45/580059145.db2.gz OFVRNWYSHKBPRM-CVEARBPZSA-N 2 1 342.553 1.436 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000761550475 580059146 /nfs/dbraw/zinc/05/91/46/580059146.db2.gz OFVRNWYSHKBPRM-CVEARBPZSA-N 2 1 342.553 1.436 20 0 EDADMP C[NH+](C)CCOC1CC[NH+](CN2CCC3(CCOCC3)C2=O)CC1 ZINC000777531094 580443562 /nfs/dbraw/zinc/44/35/62/580443562.db2.gz JAJHYXDCUXXYAY-UHFFFAOYSA-N 2 1 339.480 1.016 20 0 EDADMP CC[NH+](CC)Cc1ccc(CNC(=O)CC[NH+]2CCOCC2)cc1 ZINC000750864719 579784614 /nfs/dbraw/zinc/78/46/14/579784614.db2.gz CDCQJJXLUPQMSS-UHFFFAOYSA-N 2 1 333.476 1.867 20 0 EDADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CC[NH+]2CCOCC2)cc1 ZINC000751379883 579803630 /nfs/dbraw/zinc/80/36/30/579803630.db2.gz MWVDFTVSEOCNLX-UHFFFAOYSA-N 2 1 348.447 1.238 20 0 EDADMP COC(=O)Cc1ccccc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000752017740 579833959 /nfs/dbraw/zinc/83/39/59/579833959.db2.gz GAKWXABMEGNLGT-IBGZPJMESA-N 2 1 345.487 1.614 20 0 EDADMP COC(=O)Cc1ccccc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000752017740 579833960 /nfs/dbraw/zinc/83/39/60/579833960.db2.gz GAKWXABMEGNLGT-IBGZPJMESA-N 2 1 345.487 1.614 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C(=O)N[C@@](C)(C4CC4)C3=O)C2)CC1 ZINC000755781365 579934923 /nfs/dbraw/zinc/93/49/23/579934923.db2.gz VJDVVYWALYKUCB-KDOFPFPSSA-N 2 1 334.464 1.328 20 0 EDADMP CCCC[C@@H]1NC(=O)N(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000755782162 579934939 /nfs/dbraw/zinc/93/49/39/579934939.db2.gz YGDLIYOYAZAGMN-CVEARBPZSA-N 2 1 336.480 1.718 20 0 EDADMP CCCCCCNC(=O)CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000779650316 580492806 /nfs/dbraw/zinc/49/28/06/580492806.db2.gz MLKMBYZEPOLDQD-CQSZACIVSA-N 2 1 328.457 1.291 20 0 EDADMP CCCCCCNC(=O)CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000779650316 580492807 /nfs/dbraw/zinc/49/28/07/580492807.db2.gz MLKMBYZEPOLDQD-CQSZACIVSA-N 2 1 328.457 1.291 20 0 EDADMP Cc1ccc(CNC(=O)CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000779653272 580493209 /nfs/dbraw/zinc/49/32/09/580493209.db2.gz WIZDRFZTXNHFRD-INIZCTEOSA-N 2 1 348.447 1.219 20 0 EDADMP Cc1ccc(CNC(=O)CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)cc1 ZINC000779653272 580493210 /nfs/dbraw/zinc/49/32/10/580493210.db2.gz WIZDRFZTXNHFRD-INIZCTEOSA-N 2 1 348.447 1.219 20 0 EDADMP CNC(=O)c1cccc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000779653266 580493229 /nfs/dbraw/zinc/49/32/29/580493229.db2.gz WGYSBSBXUCEJHF-HNNXBMFYSA-N 2 1 334.420 1.154 20 0 EDADMP CNC(=O)c1cccc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000779653266 580493230 /nfs/dbraw/zinc/49/32/30/580493230.db2.gz WGYSBSBXUCEJHF-HNNXBMFYSA-N 2 1 334.420 1.154 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2cn(-c3ccccc3)nn2)C1 ZINC000779655325 580493643 /nfs/dbraw/zinc/49/36/43/580493643.db2.gz TYAFGOQZMQJFMY-MRXNPFEDSA-N 2 1 344.419 1.375 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cn(-c3ccccc3)nn2)C1 ZINC000779655325 580493644 /nfs/dbraw/zinc/49/36/44/580493644.db2.gz TYAFGOQZMQJFMY-MRXNPFEDSA-N 2 1 344.419 1.375 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000782638864 580581545 /nfs/dbraw/zinc/58/15/45/580581545.db2.gz WQMGZLQAPXEBDT-OAHLLOKOSA-N 2 1 346.475 1.330 20 0 EDADMP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000787636950 580700353 /nfs/dbraw/zinc/70/03/53/580700353.db2.gz ZSPQFLBNJCYMDV-ULJNDFNZSA-N 2 1 343.471 1.660 20 0 EDADMP O[C@@H](CN1CCC(c2[nH+]cc3n2CCCC3)CC1)C[NH+]1CCCC1 ZINC000789357707 580743469 /nfs/dbraw/zinc/74/34/69/580743469.db2.gz MLVZQMQDRLEUST-GOSISDBHSA-N 2 1 332.492 1.856 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)[C@@H](C)C1 ZINC000800988095 581063542 /nfs/dbraw/zinc/06/35/42/581063542.db2.gz USDJPJAGQQXUFR-XUWVNRHRSA-N 2 1 341.496 1.534 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000891818802 590636021 /nfs/dbraw/zinc/63/60/21/590636021.db2.gz YKDYNLDMGKOEEK-SZMVWBNQSA-N 2 1 330.476 1.934 20 0 EDADMP C[C@@H](CNC(=O)NCc1cn(C)cn1)[N@H+]1CCc2ccccc2C1 ZINC000892020352 590753540 /nfs/dbraw/zinc/75/35/40/590753540.db2.gz VDOUMPKEXLXZDY-AWEZNQCLSA-N 2 1 327.432 1.666 20 0 EDADMP C[C@@H](CNC(=O)NCc1cn(C)cn1)N1CCc2ccccc2C1 ZINC000892020352 590753543 /nfs/dbraw/zinc/75/35/43/590753543.db2.gz VDOUMPKEXLXZDY-AWEZNQCLSA-N 2 1 327.432 1.666 20 0 EDADMP C[C@@]12CN(C(=O)N[C@H](C[NH3+])C3CC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000892029473 590757823 /nfs/dbraw/zinc/75/78/23/590757823.db2.gz VWVRMESTFMKIBL-NLWGTHIKSA-N 2 1 342.487 1.887 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000892052642 590773716 /nfs/dbraw/zinc/77/37/16/590773716.db2.gz DPLDQFBINJLMGL-WBVHZDCISA-N 2 1 330.476 1.935 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000893431150 590865605 /nfs/dbraw/zinc/86/56/05/590865605.db2.gz IRYJJXQDVXSXGV-NVXWUHKLSA-N 2 1 334.439 1.603 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000893431150 590865608 /nfs/dbraw/zinc/86/56/08/590865608.db2.gz IRYJJXQDVXSXGV-NVXWUHKLSA-N 2 1 334.439 1.603 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000893431150 590865610 /nfs/dbraw/zinc/86/56/10/590865610.db2.gz IRYJJXQDVXSXGV-NVXWUHKLSA-N 2 1 334.439 1.603 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)NC3CC[NH+](C4CCCC4)CC3)C[C@]2(C)C1 ZINC000893437863 590871276 /nfs/dbraw/zinc/87/12/76/590871276.db2.gz XLLLYOYGDUGHPI-BEFAXECRSA-N 2 1 334.508 1.987 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000893502406 590911471 /nfs/dbraw/zinc/91/14/71/590911471.db2.gz SWPQJJTXMNIHCI-AWEZNQCLSA-N 2 1 336.484 1.359 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892342699 590970989 /nfs/dbraw/zinc/97/09/89/590970989.db2.gz MLTGIHDSSUVOOB-KBXCAEBGSA-N 2 1 330.476 1.814 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000892479591 591041657 /nfs/dbraw/zinc/04/16/57/591041657.db2.gz HPWJDPTYEILXEL-INIZCTEOSA-N 2 1 348.491 1.911 20 0 EDADMP CC[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000891346561 591052336 /nfs/dbraw/zinc/05/23/36/591052336.db2.gz CRAQBOVGNJBTBQ-QGTPRVQTSA-N 2 1 330.476 1.860 20 0 EDADMP COCCOc1ccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000892534940 591063859 /nfs/dbraw/zinc/06/38/59/591063859.db2.gz BBCGYBHTFORQMT-KRWDZBQOSA-N 2 1 339.480 1.666 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891407614 591068637 /nfs/dbraw/zinc/06/86/37/591068637.db2.gz VNWBEYOYWSQHQH-KOMQPUFPSA-N 2 1 342.447 1.892 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)[C@H]1OC ZINC000892576275 591079316 /nfs/dbraw/zinc/07/93/16/591079316.db2.gz AQBGLRDJUCHBFQ-XUVXKRRUSA-N 2 1 347.503 1.716 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000891538414 591112708 /nfs/dbraw/zinc/11/27/08/591112708.db2.gz XXDZKCWNVZWWCH-HUUCEWRRSA-N 2 1 326.485 1.175 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)C[C@H]2C1 ZINC000893989047 591160765 /nfs/dbraw/zinc/16/07/65/591160765.db2.gz IDMBJQBXECSPSW-CALCHBBNSA-N 2 1 343.475 1.501 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000891670868 591177057 /nfs/dbraw/zinc/17/70/57/591177057.db2.gz UPRIJTFGGCQOJF-LPHOPBHVSA-N 2 1 344.503 1.978 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894093148 591190664 /nfs/dbraw/zinc/19/06/64/591190664.db2.gz CXXWYYDSCJQRSV-KBRIMQKVSA-N 2 1 330.432 1.952 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894093148 591190666 /nfs/dbraw/zinc/19/06/66/591190666.db2.gz CXXWYYDSCJQRSV-KBRIMQKVSA-N 2 1 330.432 1.952 20 0 EDADMP CC(C)(C)NC(=O)CN1CCC(CNc2nccn3cncc23)CC1 ZINC000892851271 591203873 /nfs/dbraw/zinc/20/38/73/591203873.db2.gz FVLSLICIRKGOMW-UHFFFAOYSA-N 2 1 344.463 1.768 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000891738916 591204952 /nfs/dbraw/zinc/20/49/52/591204952.db2.gz MARXIJDZZNJSNA-INIZCTEOSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000891738916 591204955 /nfs/dbraw/zinc/20/49/55/591204955.db2.gz MARXIJDZZNJSNA-INIZCTEOSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCCC(C)(C)[NH3+])C[C@H](C)O1 ZINC000892858057 591206986 /nfs/dbraw/zinc/20/69/86/591206986.db2.gz DQJMYVFRZMNWHG-QLFBSQMISA-N 2 1 326.485 1.397 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCCC(C)(C)[NH3+])C[C@H](C)O1 ZINC000892858057 591206987 /nfs/dbraw/zinc/20/69/87/591206987.db2.gz DQJMYVFRZMNWHG-QLFBSQMISA-N 2 1 326.485 1.397 20 0 EDADMP COC1CCC(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000892879069 591214647 /nfs/dbraw/zinc/21/46/47/591214647.db2.gz FOCKXAOICOMXKI-UHFFFAOYSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000895665766 591245953 /nfs/dbraw/zinc/24/59/53/591245953.db2.gz GBGWQMXEVKPWPE-BHYGNILZSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000895665766 591245955 /nfs/dbraw/zinc/24/59/55/591245955.db2.gz GBGWQMXEVKPWPE-BHYGNILZSA-N 2 1 340.512 1.515 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000896258370 591400048 /nfs/dbraw/zinc/40/00/48/591400048.db2.gz LNXLCPXAYUEPGP-HNNXBMFYSA-N 2 1 325.497 1.865 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896258370 591400051 /nfs/dbraw/zinc/40/00/51/591400051.db2.gz LNXLCPXAYUEPGP-HNNXBMFYSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000896353639 591434557 /nfs/dbraw/zinc/43/45/57/591434557.db2.gz YOBFBWFSMONHKN-ZHALLVOQSA-N 2 1 349.519 1.820 20 0 EDADMP O=C(C1C[NH+](C2CCOCC2)C1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000909412924 591447352 /nfs/dbraw/zinc/44/73/52/591447352.db2.gz XTHRQELRKSWJRN-SFHVURJKSA-N 2 1 329.444 1.270 20 0 EDADMP Cc1ccn2ncnc2c1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000888208533 591448169 /nfs/dbraw/zinc/44/81/69/591448169.db2.gz VNUJIHUNTKOUEM-AWEZNQCLSA-N 2 1 347.467 1.431 20 0 EDADMP Cc1ccn2ncnc2c1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000888208533 591448173 /nfs/dbraw/zinc/44/81/73/591448173.db2.gz VNUJIHUNTKOUEM-AWEZNQCLSA-N 2 1 347.467 1.431 20 0 EDADMP C[C@@H]1CN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[C@H](C)CO1 ZINC000898668909 591467207 /nfs/dbraw/zinc/46/72/07/591467207.db2.gz MHPRSJHHSSFRIH-PSBWJHGTSA-N 2 1 345.487 1.905 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C1C[NH+](C2CCOCC2)C1 ZINC000898782905 591525295 /nfs/dbraw/zinc/52/52/95/591525295.db2.gz MFPGZEGZBWAXDC-INIZCTEOSA-N 2 1 335.492 1.620 20 0 EDADMP CN(C)c1nc2cc(NC(=O)C3CN([C@@H]4CCOC4)C3)ccc2[nH]1 ZINC000897593265 591574137 /nfs/dbraw/zinc/57/41/37/591574137.db2.gz FSLOOTJYLCOPOW-CYBMUJFWSA-N 2 1 329.404 1.288 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000897695947 591621126 /nfs/dbraw/zinc/62/11/26/591621126.db2.gz WJPUEKSZBYCMFT-KBXCAEBGSA-N 2 1 341.496 1.821 20 0 EDADMP CN1CCC[C@@H]1c1cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)[nH]n1 ZINC000898990692 591628269 /nfs/dbraw/zinc/62/82/69/591628269.db2.gz LQFSZJPDMYGRRU-RHSMWYFYSA-N 2 1 349.479 1.359 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CCO1 ZINC000898990692 591628272 /nfs/dbraw/zinc/62/82/72/591628272.db2.gz LQFSZJPDMYGRRU-RHSMWYFYSA-N 2 1 349.479 1.359 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CCO1 ZINC000898990692 591628275 /nfs/dbraw/zinc/62/82/75/591628275.db2.gz LQFSZJPDMYGRRU-RHSMWYFYSA-N 2 1 349.479 1.359 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([C@H]4CCCN4C)[nH]n3)[C@H]2C1 ZINC000897850025 591695429 /nfs/dbraw/zinc/69/54/29/591695429.db2.gz NMZLBBCAZSAYJU-IXDOHACOSA-N 2 1 347.463 1.112 20 0 EDADMP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([C@H]4CCCN4C)n[nH]3)[C@H]2C1 ZINC000897850025 591695434 /nfs/dbraw/zinc/69/54/34/591695434.db2.gz NMZLBBCAZSAYJU-IXDOHACOSA-N 2 1 347.463 1.112 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([C@H]4CCCN4C)n[nH]3)[C@H]2C1 ZINC000897850025 591695439 /nfs/dbraw/zinc/69/54/39/591695439.db2.gz NMZLBBCAZSAYJU-IXDOHACOSA-N 2 1 347.463 1.112 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1(C)C ZINC000898372341 591897295 /nfs/dbraw/zinc/89/72/95/591897295.db2.gz OWQHPNLTLWMUJO-NWDGAFQWSA-N 2 1 339.871 1.877 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000900179161 591930418 /nfs/dbraw/zinc/93/04/18/591930418.db2.gz GUJXZIGSZBLAIG-SCTDSRPQSA-N 2 1 331.460 1.222 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000900179161 591930420 /nfs/dbraw/zinc/93/04/20/591930420.db2.gz GUJXZIGSZBLAIG-SCTDSRPQSA-N 2 1 331.460 1.222 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000900179161 591930421 /nfs/dbraw/zinc/93/04/21/591930421.db2.gz GUJXZIGSZBLAIG-SCTDSRPQSA-N 2 1 331.460 1.222 20 0 EDADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000900179161 591930423 /nfs/dbraw/zinc/93/04/23/591930423.db2.gz GUJXZIGSZBLAIG-SCTDSRPQSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900339111 591988808 /nfs/dbraw/zinc/98/88/08/591988808.db2.gz LJQXKGYWBLWTNR-YJBOKZPZSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900339111 591988811 /nfs/dbraw/zinc/98/88/11/591988811.db2.gz LJQXKGYWBLWTNR-YJBOKZPZSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900339111 591988814 /nfs/dbraw/zinc/98/88/14/591988814.db2.gz LJQXKGYWBLWTNR-YJBOKZPZSA-N 2 1 325.497 1.460 20 0 EDADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900386828 592002853 /nfs/dbraw/zinc/00/28/53/592002853.db2.gz HYZYOWWQVYMLRK-IBGZPJMESA-N 2 1 342.443 1.644 20 0 EDADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900386828 592002855 /nfs/dbraw/zinc/00/28/55/592002855.db2.gz HYZYOWWQVYMLRK-IBGZPJMESA-N 2 1 342.443 1.644 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC[NH+](C)[C@H](C)CC)C1 ZINC000900524221 592036603 /nfs/dbraw/zinc/03/66/03/592036603.db2.gz XGDDEBXNBRXXJH-HUUCEWRRSA-N 2 1 327.469 1.108 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC[NH+](C)[C@H](C)CC)C1 ZINC000900524221 592036605 /nfs/dbraw/zinc/03/66/05/592036605.db2.gz XGDDEBXNBRXXJH-HUUCEWRRSA-N 2 1 327.469 1.108 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCC[N@H+](C)[C@H](C)CC)C1 ZINC000900524221 592036607 /nfs/dbraw/zinc/03/66/07/592036607.db2.gz XGDDEBXNBRXXJH-HUUCEWRRSA-N 2 1 327.469 1.108 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCC[N@@H+](C)[C@H](C)CC)C1 ZINC000900524221 592036608 /nfs/dbraw/zinc/03/66/08/592036608.db2.gz XGDDEBXNBRXXJH-HUUCEWRRSA-N 2 1 327.469 1.108 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H](C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)O1 ZINC000902681874 592045016 /nfs/dbraw/zinc/04/50/16/592045016.db2.gz KKRJHMDSGOOHMQ-YJBOKZPZSA-N 2 1 331.460 1.833 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)O1 ZINC000902681874 592045017 /nfs/dbraw/zinc/04/50/17/592045017.db2.gz KKRJHMDSGOOHMQ-YJBOKZPZSA-N 2 1 331.460 1.833 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900689022 592094992 /nfs/dbraw/zinc/09/49/92/592094992.db2.gz OPCAFVOPLNWIPE-ZWKOTPCHSA-N 2 1 336.524 1.537 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900689022 592094996 /nfs/dbraw/zinc/09/49/96/592094996.db2.gz OPCAFVOPLNWIPE-ZWKOTPCHSA-N 2 1 336.524 1.537 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900689022 592094998 /nfs/dbraw/zinc/09/49/98/592094998.db2.gz OPCAFVOPLNWIPE-ZWKOTPCHSA-N 2 1 336.524 1.537 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)CC2)C1 ZINC000900725947 592105976 /nfs/dbraw/zinc/10/59/76/592105976.db2.gz PVFBMJFHGAPNLQ-BZSNNMDCSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)C1 ZINC000900725947 592105978 /nfs/dbraw/zinc/10/59/78/592105978.db2.gz PVFBMJFHGAPNLQ-BZSNNMDCSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)C1 ZINC000900725947 592105981 /nfs/dbraw/zinc/10/59/81/592105981.db2.gz PVFBMJFHGAPNLQ-BZSNNMDCSA-N 2 1 334.508 1.242 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000900828082 592139770 /nfs/dbraw/zinc/13/97/70/592139770.db2.gz LIXPSKZTXXXHFF-MRXNPFEDSA-N 2 1 325.497 1.628 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000900914824 592170656 /nfs/dbraw/zinc/17/06/56/592170656.db2.gz KVWSTLGKFAUPRW-MRXNPFEDSA-N 2 1 333.480 1.249 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H]1CCN(C3CCCCC3)C1=O)C2 ZINC000903495099 592186764 /nfs/dbraw/zinc/18/67/64/592186764.db2.gz VFRITIOPCFBDMJ-MVWRLGRASA-N 2 1 349.475 1.132 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903496525 592187731 /nfs/dbraw/zinc/18/77/31/592187731.db2.gz QWFLWUQBSJACON-HZPDHXFCSA-N 2 1 349.475 1.497 20 0 EDADMP C[C@H](C(=O)NC1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511051 592190696 /nfs/dbraw/zinc/19/06/96/592190696.db2.gz MUDVIHVTRYMLCG-OLMNPRSZSA-N 2 1 334.508 1.334 20 0 EDADMP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C[C@@H]21 ZINC000903563416 592211045 /nfs/dbraw/zinc/21/10/45/592211045.db2.gz BXCGELCNXBYSKC-RSJGLCBASA-N 2 1 332.444 1.048 20 0 EDADMP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C[C@@H]21 ZINC000903563416 592211047 /nfs/dbraw/zinc/21/10/47/592211047.db2.gz BXCGELCNXBYSKC-RSJGLCBASA-N 2 1 332.444 1.048 20 0 EDADMP O=S(=O)(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1C[NH2+]C1 ZINC000903600333 592230399 /nfs/dbraw/zinc/23/03/99/592230399.db2.gz GTXIEGSULMTXAT-IXDOHACOSA-N 2 1 349.500 1.178 20 0 EDADMP c1cc(N2CC[NH2+]CC2)oc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000904351486 592237169 /nfs/dbraw/zinc/23/71/69/592237169.db2.gz ZUZMLPKLKFIAJG-DLBZAZTESA-N 3 1 332.492 1.901 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903713264 592291631 /nfs/dbraw/zinc/29/16/31/592291631.db2.gz KVOBUIDIRXYLTN-LBPRGKRZSA-N 2 1 343.830 1.645 20 0 EDADMP CC(C)N(C)C(=O)C1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903885179 592363434 /nfs/dbraw/zinc/36/34/34/592363434.db2.gz JALSWUXFTPWLFJ-INIZCTEOSA-N 2 1 348.495 1.281 20 0 EDADMP COc1ccc([C@H](CO)[N@@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903893063 592366619 /nfs/dbraw/zinc/36/66/19/592366619.db2.gz PLVXLVFLWLYZIO-KXBFYZLASA-N 2 1 346.475 1.520 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cnn1C ZINC000903929843 592382739 /nfs/dbraw/zinc/38/27/39/592382739.db2.gz MMMYAUUDOYTBOQ-LZQZEXGQSA-N 2 1 328.460 1.654 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)c2cc3ccccc3o2)C1 ZINC000905080640 592388198 /nfs/dbraw/zinc/38/81/98/592388198.db2.gz DHAWFXFWIMWRCH-HOTGVXAUSA-N 2 1 345.443 1.643 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2cc3ccccc3o2)C1 ZINC000905080640 592388202 /nfs/dbraw/zinc/38/82/02/592388202.db2.gz DHAWFXFWIMWRCH-HOTGVXAUSA-N 2 1 345.443 1.643 20 0 EDADMP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000905058403 592395879 /nfs/dbraw/zinc/39/58/79/592395879.db2.gz FWTQTGCTCIJPMK-TXPKVOOTSA-N 2 1 338.492 1.935 20 0 EDADMP O[C@@H](CCOCc1ccccc1)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000905073575 592403492 /nfs/dbraw/zinc/40/34/92/592403492.db2.gz DTCIXENIYXIGAE-FHWLQOOXSA-N 2 1 334.460 1.407 20 0 EDADMP O[C@@H](CCOCc1ccccc1)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000905073575 592403497 /nfs/dbraw/zinc/40/34/97/592403497.db2.gz DTCIXENIYXIGAE-FHWLQOOXSA-N 2 1 334.460 1.407 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905122152 592416876 /nfs/dbraw/zinc/41/68/76/592416876.db2.gz LJBAODLPHWPIJY-NSISKUIASA-N 2 1 348.487 1.704 20 0 EDADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)CCC2(O)CCC2)CC1 ZINC000905146070 592437727 /nfs/dbraw/zinc/43/77/27/592437727.db2.gz MLACAWAXVAGLEE-QGZVFWFLSA-N 2 1 328.497 1.522 20 0 EDADMP CC(C)(C)CC[C@@H]([NH3+])CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000904306920 592473055 /nfs/dbraw/zinc/47/30/55/592473055.db2.gz HKPMQIOLURVRQV-QGZVFWFLSA-N 2 1 338.540 1.770 20 0 EDADMP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905337885 592509968 /nfs/dbraw/zinc/50/99/68/592509968.db2.gz LTRWQXFDZKIIKK-CVEARBPZSA-N 2 1 329.510 1.265 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905337885 592509970 /nfs/dbraw/zinc/50/99/70/592509970.db2.gz LTRWQXFDZKIIKK-CVEARBPZSA-N 2 1 329.510 1.265 20 0 EDADMP C[C@@](O)(C[NH2+]CCC[NH+]1CCC(O)CC1)C(F)(F)C(F)(F)F ZINC000905342832 592512400 /nfs/dbraw/zinc/51/24/00/592512400.db2.gz XIXCVTFTCJWYHS-LLVKDONJSA-N 2 1 334.329 1.371 20 0 EDADMP CC(C)[NH2+]C1(CO)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000908600686 592549492 /nfs/dbraw/zinc/54/94/92/592549492.db2.gz OBICQDLIZLZIPL-UHFFFAOYSA-N 2 1 339.524 1.993 20 0 EDADMP CC[C@](O)(C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O)C(F)(F)F ZINC000905495921 592553773 /nfs/dbraw/zinc/55/37/73/592553773.db2.gz OAUPTNXLCTUMHS-MRLBHPIUSA-N 2 1 338.414 1.759 20 0 EDADMP COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000905655684 592598052 /nfs/dbraw/zinc/59/80/52/592598052.db2.gz XZFZSKBZWBJDPW-ZRSRNVLSSA-N 2 1 346.471 1.657 20 0 EDADMP COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000905655684 592598055 /nfs/dbraw/zinc/59/80/55/592598055.db2.gz XZFZSKBZWBJDPW-ZRSRNVLSSA-N 2 1 346.471 1.657 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CC)C2CC[NH+](C)CC2)C1 ZINC000908915487 592659110 /nfs/dbraw/zinc/65/91/10/592659110.db2.gz AURBZXDGYVMHKZ-HNNXBMFYSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000907806035 592789544 /nfs/dbraw/zinc/78/95/44/592789544.db2.gz QAKPRBMSIIRNDP-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000907806035 592789546 /nfs/dbraw/zinc/78/95/46/592789546.db2.gz QAKPRBMSIIRNDP-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000907806035 592789547 /nfs/dbraw/zinc/78/95/47/592789547.db2.gz QAKPRBMSIIRNDP-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000910933217 592902085 /nfs/dbraw/zinc/90/20/85/592902085.db2.gz IIHDZUNAGUJJOZ-AWEZNQCLSA-N 2 1 340.512 1.022 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)CNc3ccccn3)CC2)CC1 ZINC000911190772 592946242 /nfs/dbraw/zinc/94/62/42/592946242.db2.gz OFJKRKYRPRTYMN-UHFFFAOYSA-N 3 1 345.491 1.512 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)CNc3ccccn3)CC2)CC1 ZINC000911190772 592946244 /nfs/dbraw/zinc/94/62/44/592946244.db2.gz OFJKRKYRPRTYMN-UHFFFAOYSA-N 3 1 345.491 1.512 20 0 EDADMP CC(C)(C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)[NH+]1CCCCC1 ZINC000911843627 593022234 /nfs/dbraw/zinc/02/22/34/593022234.db2.gz OEHHEPVAYUXYEA-HOTGVXAUSA-N 2 1 337.508 1.866 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000911921158 593033357 /nfs/dbraw/zinc/03/33/57/593033357.db2.gz QEZHCDONMNZVPX-MRXNPFEDSA-N 2 1 339.480 1.206 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000911921158 593033359 /nfs/dbraw/zinc/03/33/59/593033359.db2.gz QEZHCDONMNZVPX-MRXNPFEDSA-N 2 1 339.480 1.206 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000912297183 593083945 /nfs/dbraw/zinc/08/39/45/593083945.db2.gz QOSKXRGXWQODPY-CABCVRRESA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000912297183 593083946 /nfs/dbraw/zinc/08/39/46/593083946.db2.gz QOSKXRGXWQODPY-CABCVRRESA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000912297183 593083947 /nfs/dbraw/zinc/08/39/47/593083947.db2.gz QOSKXRGXWQODPY-CABCVRRESA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000912297183 593083948 /nfs/dbraw/zinc/08/39/48/593083948.db2.gz QOSKXRGXWQODPY-CABCVRRESA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000912297185 593083955 /nfs/dbraw/zinc/08/39/55/593083955.db2.gz QOSKXRGXWQODPY-HUUCEWRRSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000912297185 593083956 /nfs/dbraw/zinc/08/39/56/593083956.db2.gz QOSKXRGXWQODPY-HUUCEWRRSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000912297185 593083957 /nfs/dbraw/zinc/08/39/57/593083957.db2.gz QOSKXRGXWQODPY-HUUCEWRRSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000912297185 593083958 /nfs/dbraw/zinc/08/39/58/593083958.db2.gz QOSKXRGXWQODPY-HUUCEWRRSA-N 2 1 339.480 1.251 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000838475459 593177252 /nfs/dbraw/zinc/17/72/52/593177252.db2.gz FCXRAFZJBYNQCQ-IRXDYDNUSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)[C@@H](C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC000803497564 593336823 /nfs/dbraw/zinc/33/68/23/593336823.db2.gz WQVDNLMATLTIDJ-INIZCTEOSA-N 2 1 327.469 1.105 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000811953348 593487309 /nfs/dbraw/zinc/48/73/09/593487309.db2.gz ABSRFHKVFUCPQP-NVXWUHKLSA-N 2 1 340.512 1.658 20 0 EDADMP Cn1ncc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1Cl ZINC000815126149 593616783 /nfs/dbraw/zinc/61/67/83/593616783.db2.gz UJTQCSDNXLADNT-UHFFFAOYSA-N 2 1 349.866 1.655 20 0 EDADMP CN(C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000818963612 593730686 /nfs/dbraw/zinc/73/06/86/593730686.db2.gz VWXGINHWLLIOQM-SOUVJXGZSA-N 2 1 327.469 1.431 20 0 EDADMP Cc1ccc([C@H](O)CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)o1 ZINC000820074971 593788615 /nfs/dbraw/zinc/78/86/15/593788615.db2.gz PYKFDSMLIOMJNN-DZGCQCFKSA-N 2 1 340.468 1.193 20 0 EDADMP Cc1ccc([C@H](O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)o1 ZINC000820074971 593788616 /nfs/dbraw/zinc/78/86/16/593788616.db2.gz PYKFDSMLIOMJNN-DZGCQCFKSA-N 2 1 340.468 1.193 20 0 EDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821583410 593869370 /nfs/dbraw/zinc/86/93/70/593869370.db2.gz UOMHLMSNCJLUIU-CQSZACIVSA-N 2 1 330.436 1.519 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000820810050 593895167 /nfs/dbraw/zinc/89/51/67/593895167.db2.gz NSJBTCKYUZXNIS-UHFFFAOYSA-N 3 1 331.508 1.668 20 0 EDADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1-c1nn[nH]n1 ZINC000821808589 593945255 /nfs/dbraw/zinc/94/52/55/593945255.db2.gz IZPQVDGBNONSGL-GFCCVEGCSA-N 2 1 341.419 1.806 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821252680 593997335 /nfs/dbraw/zinc/99/73/35/593997335.db2.gz AZKVGMZQWJAISA-COXVUDFISA-N 2 1 344.463 1.562 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821252680 593997336 /nfs/dbraw/zinc/99/73/36/593997336.db2.gz AZKVGMZQWJAISA-COXVUDFISA-N 2 1 344.463 1.562 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821252680 593997339 /nfs/dbraw/zinc/99/73/39/593997339.db2.gz AZKVGMZQWJAISA-COXVUDFISA-N 2 1 344.463 1.562 20 0 EDADMP Cc1ccccc1[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC[NH2+]1 ZINC000825154724 594137446 /nfs/dbraw/zinc/13/74/46/594137446.db2.gz YEDKZDQDFCLJAA-GOSISDBHSA-N 2 1 341.459 1.540 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C(/C)c1cnccn1 ZINC000825567586 594201451 /nfs/dbraw/zinc/20/14/51/594201451.db2.gz CFZPFASFYICRDO-VZVUQDNOSA-N 2 1 345.491 1.754 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cccc(C[NH3+])c2)C[C@@H](C)O1 ZINC000827684792 594257649 /nfs/dbraw/zinc/25/76/49/594257649.db2.gz XZOONOPEAHVVEE-RKVPGOIHSA-N 2 1 331.460 1.859 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC000828956265 594537258 /nfs/dbraw/zinc/53/72/58/594537258.db2.gz LFDBPAIRTLJMNQ-KBPBESRZSA-N 2 1 340.855 1.270 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)N1CC[NH+](C)CC1 ZINC000826667333 594550464 /nfs/dbraw/zinc/55/04/64/594550464.db2.gz LTLIDPPHIJAPPW-WMZOPIPTSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)N1CC[NH+](C)CC1 ZINC000826667333 594550466 /nfs/dbraw/zinc/55/04/66/594550466.db2.gz LTLIDPPHIJAPPW-WMZOPIPTSA-N 2 1 336.524 1.536 20 0 EDADMP COC[C@]1(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC[NH2+]C1 ZINC000827250051 594656293 /nfs/dbraw/zinc/65/62/93/594656293.db2.gz NUEYOSHYHABPNV-IBGZPJMESA-N 2 1 346.475 1.393 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cn1 ZINC000832489638 594754114 /nfs/dbraw/zinc/75/41/14/594754114.db2.gz AAYNAISWXKWARJ-YYIAUSFCSA-N 2 1 333.480 1.054 20 0 EDADMP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841790280 594953450 /nfs/dbraw/zinc/95/34/50/594953450.db2.gz BNCFFYQQAKNNBS-IRXDYDNUSA-N 2 1 332.448 1.020 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc(C[C@H]([NH3+])C4CC4)n3)cn2)CC1 ZINC000843198242 595030133 /nfs/dbraw/zinc/03/01/33/595030133.db2.gz KUHZFSHWZLAVIY-AWEZNQCLSA-N 2 1 328.420 1.163 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc(CC[C@@H]4CCC[NH2+]4)n3)cn2)CC1 ZINC000843199610 595030864 /nfs/dbraw/zinc/03/08/64/595030864.db2.gz YSMMHPBQZACZIP-HNNXBMFYSA-N 2 1 342.447 1.568 20 0 EDADMP Cc1ccc2c(C[N@@H+](C)CCN3CC[NH2+]CC3)cc(=O)oc2c1C ZINC000843349111 595083067 /nfs/dbraw/zinc/08/30/67/595083067.db2.gz HJEAZOQEZNYUAO-UHFFFAOYSA-N 2 1 329.444 1.747 20 0 EDADMP C[N@@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)C1CCC([NH3+])CC1 ZINC000843355386 595085419 /nfs/dbraw/zinc/08/54/19/595085419.db2.gz MORDCHULSNVJMA-DAWZGUTISA-N 2 1 349.450 1.927 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843362563 595088003 /nfs/dbraw/zinc/08/80/03/595088003.db2.gz KFGHSINSWOIWSQ-PMPSAXMXSA-N 2 1 346.475 1.519 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843362563 595088007 /nfs/dbraw/zinc/08/80/07/595088007.db2.gz KFGHSINSWOIWSQ-PMPSAXMXSA-N 2 1 346.475 1.519 20 0 EDADMP Cc1ccc(N2CC[C@@H]([N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)C2=O)cc1 ZINC000843388540 595097038 /nfs/dbraw/zinc/09/70/38/595097038.db2.gz RJCKEEFTLLCLIB-SJLPKXTDSA-N 2 1 343.471 1.788 20 0 EDADMP Cc1ccc(N2CC[C@@H]([N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)C2=O)cc1 ZINC000843388540 595097043 /nfs/dbraw/zinc/09/70/43/595097043.db2.gz RJCKEEFTLLCLIB-SJLPKXTDSA-N 2 1 343.471 1.788 20 0 EDADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc2)CC1 ZINC000843490451 595128575 /nfs/dbraw/zinc/12/85/75/595128575.db2.gz DMVJQASRAHBSAH-INIZCTEOSA-N 2 1 334.489 1.818 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843491018 595128855 /nfs/dbraw/zinc/12/88/55/595128855.db2.gz YLTQYZMNEMDOLU-MJGOQNOKSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH2+]C[C@@H](C)c1noc([C@@H](c2ccccc2)N2CC[NH+](C)CC2)n1 ZINC000842580874 595132028 /nfs/dbraw/zinc/13/20/28/595132028.db2.gz BJVJLRLNFPRUSU-GDBMZVCRSA-N 2 1 329.448 1.729 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC000843800805 595189508 /nfs/dbraw/zinc/18/95/08/595189508.db2.gz WRIPXUPYIYVSCV-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000844172989 595291492 /nfs/dbraw/zinc/29/14/92/595291492.db2.gz LPPNCJVMCUWSDK-ZFWWWQNUSA-N 2 1 337.489 1.380 20 0 EDADMP C[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000844172989 595291493 /nfs/dbraw/zinc/29/14/93/595291493.db2.gz LPPNCJVMCUWSDK-ZFWWWQNUSA-N 2 1 337.489 1.380 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000844174723 595292103 /nfs/dbraw/zinc/29/21/03/595292103.db2.gz CNWLMMGTHWWIFL-OAHLLOKOSA-N 2 1 327.432 1.970 20 0 EDADMP C[NH+](C)CCOc1ccc(-c2noc(C[NH2+]C[C@@H]3CCCO3)n2)cc1 ZINC000843178601 595299876 /nfs/dbraw/zinc/29/98/76/595299876.db2.gz VUVZIXVVMOCJQY-INIZCTEOSA-N 2 1 346.431 1.946 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@@H](C)OC3=O)CC2)CC1 ZINC000848073027 595315281 /nfs/dbraw/zinc/31/52/81/595315281.db2.gz IBMXXBOEKZQOAI-CZUORRHYSA-N 2 1 337.464 1.003 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](CCOC)CC1(C)C ZINC000844594569 595362710 /nfs/dbraw/zinc/36/27/10/595362710.db2.gz XXLBYQWOXJFFKS-HNNXBMFYSA-N 2 1 342.553 1.388 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)N1CC[N@H+](CCOC)CC1(C)C ZINC000844594569 595362712 /nfs/dbraw/zinc/36/27/12/595362712.db2.gz XXLBYQWOXJFFKS-HNNXBMFYSA-N 2 1 342.553 1.388 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)N1CC[N@@H+](CCOC)CC1(C)C ZINC000844594569 595362714 /nfs/dbraw/zinc/36/27/14/595362714.db2.gz XXLBYQWOXJFFKS-HNNXBMFYSA-N 2 1 342.553 1.388 20 0 EDADMP COCC[N@H+]1CCN(C(=S)NCC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000844593414 595362907 /nfs/dbraw/zinc/36/29/07/595362907.db2.gz PWGMYPRSOLCSHN-UHFFFAOYSA-N 2 1 342.553 1.245 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000848521363 595401796 /nfs/dbraw/zinc/40/17/96/595401796.db2.gz SDFFRMJJVASKFY-YOEHRIQHSA-N 2 1 326.387 1.841 20 0 EDADMP C[C@@H](CNC(=O)NCc1ccc(CC[NH3+])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848602945 595416768 /nfs/dbraw/zinc/41/67/68/595416768.db2.gz JDCPICYIMLEKBY-HRCADAONSA-N 2 1 348.491 1.485 20 0 EDADMP C[C@@H](CNC(=O)NCc1ccc(CC[NH3+])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848602945 595416770 /nfs/dbraw/zinc/41/67/70/595416770.db2.gz JDCPICYIMLEKBY-HRCADAONSA-N 2 1 348.491 1.485 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)NCCCN2CCC[N@@H+](C)CC2)cc1 ZINC000847493133 595433886 /nfs/dbraw/zinc/43/38/86/595433886.db2.gz XYUACORJBHWZTP-UHFFFAOYSA-N 2 1 346.519 1.548 20 0 EDADMP CN1CCC[N@H+](CCCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000847493133 595433887 /nfs/dbraw/zinc/43/38/87/595433887.db2.gz XYUACORJBHWZTP-UHFFFAOYSA-N 2 1 346.519 1.548 20 0 EDADMP CN1CCC[N@@H+](CCCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000847493133 595433888 /nfs/dbraw/zinc/43/38/88/595433888.db2.gz XYUACORJBHWZTP-UHFFFAOYSA-N 2 1 346.519 1.548 20 0 EDADMP CCc1cccc(NC(=[NH2+])NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000849072783 595477937 /nfs/dbraw/zinc/47/79/37/595477937.db2.gz GLMGQZYQBJWFPW-OAHLLOKOSA-N 2 1 331.464 1.773 20 0 EDADMP COc1cccc(NC(=[NH2+])NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000849072889 595478267 /nfs/dbraw/zinc/47/82/67/595478267.db2.gz OVOAHAWCBYPMAU-CYBMUJFWSA-N 2 1 333.436 1.219 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000849096745 595481327 /nfs/dbraw/zinc/48/13/27/595481327.db2.gz PDLMYYMITXZTHC-OAHLLOKOSA-N 2 1 333.455 1.814 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1c(F)c(F)cc(F)c1F ZINC000849105129 595482664 /nfs/dbraw/zinc/48/26/64/595482664.db2.gz CSMUBJVWVPNSEB-UHFFFAOYSA-N 2 1 348.344 1.579 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000849482436 595547003 /nfs/dbraw/zinc/54/70/03/595547003.db2.gz BHEBAYOWHIDBLD-JKSUJKDBSA-N 2 1 335.496 1.159 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849499487 595551800 /nfs/dbraw/zinc/55/18/00/595551800.db2.gz MQFRESJMNFZFFO-NXHRZFHOSA-N 2 1 347.507 1.304 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849499487 595551803 /nfs/dbraw/zinc/55/18/03/595551803.db2.gz MQFRESJMNFZFFO-NXHRZFHOSA-N 2 1 347.507 1.304 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849499487 595551805 /nfs/dbraw/zinc/55/18/05/595551805.db2.gz MQFRESJMNFZFFO-NXHRZFHOSA-N 2 1 347.507 1.304 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[NH+](C)C1CC1 ZINC000849514625 595555421 /nfs/dbraw/zinc/55/54/21/595555421.db2.gz CSHLJLXKBSMATG-COXVUDFISA-N 2 1 333.480 1.054 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1)[N@H+](C)C1CC1 ZINC000849514625 595555424 /nfs/dbraw/zinc/55/54/24/595555424.db2.gz CSHLJLXKBSMATG-COXVUDFISA-N 2 1 333.480 1.054 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1)[N@@H+](C)C1CC1 ZINC000849514625 595555426 /nfs/dbraw/zinc/55/54/26/595555426.db2.gz CSHLJLXKBSMATG-COXVUDFISA-N 2 1 333.480 1.054 20 0 EDADMP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000849539835 595559981 /nfs/dbraw/zinc/55/99/81/595559981.db2.gz YCIBLTCROUWEPV-KZNAEPCWSA-N 2 1 349.523 1.548 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](C)[C@H](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849555278 595565035 /nfs/dbraw/zinc/56/50/35/595565035.db2.gz QXGUIQBMOCDPBE-NXHRZFHOSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[NH+](C)[C@H](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849555278 595565038 /nfs/dbraw/zinc/56/50/38/595565038.db2.gz QXGUIQBMOCDPBE-NXHRZFHOSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[NH+]1CC[C@@H](C(=O)N2CC[N@H+](C)[C@H](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849555278 595565041 /nfs/dbraw/zinc/56/50/41/595565041.db2.gz QXGUIQBMOCDPBE-NXHRZFHOSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)[NH+]1CC[C@@H](C(=O)N2CC[N@@H+](C)[C@H](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849555278 595565043 /nfs/dbraw/zinc/56/50/43/595565043.db2.gz QXGUIQBMOCDPBE-NXHRZFHOSA-N 2 1 347.507 1.397 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)C1 ZINC000852858101 595579973 /nfs/dbraw/zinc/57/99/73/595579973.db2.gz PXLSVJPEVSFGGG-CZUORRHYSA-N 2 1 330.432 1.961 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC2([NH+](C)C)CCC2)cn1 ZINC000849583475 595581361 /nfs/dbraw/zinc/58/13/61/595581361.db2.gz UFZRTUSNAHHILA-CVEARBPZSA-N 2 1 333.480 1.056 20 0 EDADMP COc1cccc([C@@H](O)C2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000860144191 595594148 /nfs/dbraw/zinc/59/41/48/595594148.db2.gz WANYKXPIRNECAV-ICSRJNTNSA-N 2 1 348.487 1.897 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)/C=C/C1(C)CCOCC1 ZINC000855346153 595680751 /nfs/dbraw/zinc/68/07/51/595680751.db2.gz PLCNCLQDYXHCJZ-WAVCKPEOSA-N 2 1 325.497 1.748 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)/C=C/C1(C)CCOCC1 ZINC000855346153 595680754 /nfs/dbraw/zinc/68/07/54/595680754.db2.gz PLCNCLQDYXHCJZ-WAVCKPEOSA-N 2 1 325.497 1.748 20 0 EDADMP CCOC(=O)NC1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000850433850 595833421 /nfs/dbraw/zinc/83/34/21/595833421.db2.gz RSVRPYGLXAGYFA-QDIHITRGSA-N 2 1 325.453 1.497 20 0 EDADMP CCOC(=O)NC1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000850433850 595833422 /nfs/dbraw/zinc/83/34/22/595833422.db2.gz RSVRPYGLXAGYFA-QDIHITRGSA-N 2 1 325.453 1.497 20 0 EDADMP CCOC(=O)NC1CCC([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000850466000 595839457 /nfs/dbraw/zinc/83/94/57/595839457.db2.gz BCSCZBMCHKJXGW-UHFFFAOYSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](C(=O)Nc1ncccn1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215168 596006958 /nfs/dbraw/zinc/00/69/58/596006958.db2.gz WWUQHZNZTJDZNP-CQSZACIVSA-N 2 1 327.432 1.997 20 0 EDADMP C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215168 596006962 /nfs/dbraw/zinc/00/69/62/596006962.db2.gz WWUQHZNZTJDZNP-CQSZACIVSA-N 2 1 327.432 1.997 20 0 EDADMP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N2CCOC2=O)cc1 ZINC000854232903 596009678 /nfs/dbraw/zinc/00/96/78/596009678.db2.gz XQCGDNCZCJHSCL-LLVKDONJSA-N 2 1 343.387 1.448 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@](C)(O)C(C)=O)C2)ccn1 ZINC000856584555 596023016 /nfs/dbraw/zinc/02/30/16/596023016.db2.gz MJFHFUCLJVXESQ-ZWKOTPCHSA-N 2 1 335.448 1.326 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@](C)(O)C(C)=O)C2)ccn1 ZINC000856584555 596023018 /nfs/dbraw/zinc/02/30/18/596023018.db2.gz MJFHFUCLJVXESQ-ZWKOTPCHSA-N 2 1 335.448 1.326 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@](C)(O)C(C)=O)C2)ccn1 ZINC000856584555 596023020 /nfs/dbraw/zinc/02/30/20/596023020.db2.gz MJFHFUCLJVXESQ-ZWKOTPCHSA-N 2 1 335.448 1.326 20 0 EDADMP CCCCCC[C@@](O)(C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)C(=O)OC ZINC000852078056 596035768 /nfs/dbraw/zinc/03/57/68/596035768.db2.gz JTAJWPCVDLSROZ-ZWKOTPCHSA-N 2 1 326.481 1.889 20 0 EDADMP CCCCCC[C@@](O)(C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)C(=O)OC ZINC000852078056 596035771 /nfs/dbraw/zinc/03/57/71/596035771.db2.gz JTAJWPCVDLSROZ-ZWKOTPCHSA-N 2 1 326.481 1.889 20 0 EDADMP CCCCCC[C@@](O)(C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)C(=O)OC ZINC000852078056 596035773 /nfs/dbraw/zinc/03/57/73/596035773.db2.gz JTAJWPCVDLSROZ-ZWKOTPCHSA-N 2 1 326.481 1.889 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1)[NH+](C)C ZINC000856630500 596039789 /nfs/dbraw/zinc/03/97/89/596039789.db2.gz GGYVOGDZGIUADP-MSOLQXFVSA-N 2 1 348.491 1.853 20 0 EDADMP CCc1noc(C[C@]2(O)CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000856671173 596044950 /nfs/dbraw/zinc/04/49/50/596044950.db2.gz JJOHCDBMHSOCSH-MAUKXSAKSA-N 2 1 336.480 1.876 20 0 EDADMP CCc1noc(C[C@]2(O)CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000856671173 596044953 /nfs/dbraw/zinc/04/49/53/596044953.db2.gz JJOHCDBMHSOCSH-MAUKXSAKSA-N 2 1 336.480 1.876 20 0 EDADMP CCc1noc(C[C@]2(O)CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000856671173 596044956 /nfs/dbraw/zinc/04/49/56/596044956.db2.gz JJOHCDBMHSOCSH-MAUKXSAKSA-N 2 1 336.480 1.876 20 0 EDADMP CCc1noc(C[C@]2(O)CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000856671173 596044959 /nfs/dbraw/zinc/04/49/59/596044959.db2.gz JJOHCDBMHSOCSH-MAUKXSAKSA-N 2 1 336.480 1.876 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000859757131 596187079 /nfs/dbraw/zinc/18/70/79/596187079.db2.gz ZFYPYNZNPBAJHE-HOTGVXAUSA-N 2 1 346.431 1.153 20 0 EDADMP CCCCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852744746 596237381 /nfs/dbraw/zinc/23/73/81/596237381.db2.gz IKCMOBXMYDEXOZ-IAGOWNOFSA-N 2 1 337.508 1.916 20 0 EDADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703806 596301268 /nfs/dbraw/zinc/30/12/68/596301268.db2.gz KJHDZOLBQAQAIV-SJKOYZFVSA-N 2 1 326.485 1.696 20 0 EDADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703806 596301270 /nfs/dbraw/zinc/30/12/70/596301270.db2.gz KJHDZOLBQAQAIV-SJKOYZFVSA-N 2 1 326.485 1.696 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870957738 596418061 /nfs/dbraw/zinc/41/80/61/596418061.db2.gz VKMMRXCRDNRFMK-OTWHNJEPSA-N 2 1 344.503 1.436 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870957738 596418064 /nfs/dbraw/zinc/41/80/64/596418064.db2.gz VKMMRXCRDNRFMK-OTWHNJEPSA-N 2 1 344.503 1.436 20 0 EDADMP CCOC(=O)C1=CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000863577403 596624540 /nfs/dbraw/zinc/62/45/40/596624540.db2.gz YPPYNEBSRWMDDN-ROUUACIJSA-N 2 1 332.444 1.721 20 0 EDADMP CCOC(=O)C1=CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000863577403 596624543 /nfs/dbraw/zinc/62/45/43/596624543.db2.gz YPPYNEBSRWMDDN-ROUUACIJSA-N 2 1 332.444 1.721 20 0 EDADMP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000865817917 596696197 /nfs/dbraw/zinc/69/61/97/596696197.db2.gz IYWPRKDJHDLSTE-HOTGVXAUSA-N 2 1 337.489 1.354 20 0 EDADMP C[N@@H+]1CCN(C(=O)/C=C\CN2CCOCC2)C[C@@H]1Cc1ccccc1 ZINC000868156175 596704718 /nfs/dbraw/zinc/70/47/18/596704718.db2.gz BFXUSUSZAOXTKX-ZXYDQQDNSA-N 2 1 343.471 1.260 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CCSC1 ZINC000868356518 596798768 /nfs/dbraw/zinc/79/87/68/596798768.db2.gz ZBSLBBQVCWLBKX-YCPHGPKFSA-N 2 1 326.510 1.159 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868362510 596802583 /nfs/dbraw/zinc/80/25/83/596802583.db2.gz ZYXAVGJDHGTXHF-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156946 596815709 /nfs/dbraw/zinc/81/57/09/596815709.db2.gz MNSHGIZFKMACRX-ZFWWWQNUSA-N 2 1 347.511 1.639 20 0 EDADMP CN(C)c1nc(N)nc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156946 596815711 /nfs/dbraw/zinc/81/57/11/596815711.db2.gz MNSHGIZFKMACRX-ZFWWWQNUSA-N 2 1 347.511 1.639 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])C[C@@H]1C ZINC000872191031 596828148 /nfs/dbraw/zinc/82/81/48/596828148.db2.gz WRSXALNGSWDGMB-HOTGVXAUSA-N 2 1 340.512 1.295 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ncc(Cl)s1 ZINC000875712410 596956417 /nfs/dbraw/zinc/95/64/17/596956417.db2.gz DXGKTBOIUJFSFQ-NSHDSACASA-N 2 1 347.916 1.868 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ncc(Cl)s1 ZINC000875712410 596956420 /nfs/dbraw/zinc/95/64/20/596956420.db2.gz DXGKTBOIUJFSFQ-NSHDSACASA-N 2 1 347.916 1.868 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC(C)(C)CO1 ZINC000875712404 596956521 /nfs/dbraw/zinc/95/65/21/596956521.db2.gz DUBYXCBEVARELH-LSDHHAIUSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC(C)(C)CO1 ZINC000875712404 596956525 /nfs/dbraw/zinc/95/65/25/596956525.db2.gz DUBYXCBEVARELH-LSDHHAIUSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccnc(F)c1 ZINC000875714459 596958106 /nfs/dbraw/zinc/95/81/06/596958106.db2.gz UXWSVDSSZGHRSM-ZDUSSCGKSA-N 2 1 325.432 1.292 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccnc(F)c1 ZINC000875714459 596958107 /nfs/dbraw/zinc/95/81/07/596958107.db2.gz UXWSVDSSZGHRSM-ZDUSSCGKSA-N 2 1 325.432 1.292 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000874432704 597076599 /nfs/dbraw/zinc/07/65/99/597076599.db2.gz PPCLZBQJDTWHLU-KURKYZTESA-N 2 1 328.460 1.797 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3C)cn1 ZINC000874822451 597184445 /nfs/dbraw/zinc/18/44/45/597184445.db2.gz IPEGUPWBOVVWTL-WNRNVDISSA-N 2 1 345.491 1.151 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cn1 ZINC000874822451 597184446 /nfs/dbraw/zinc/18/44/46/597184446.db2.gz IPEGUPWBOVVWTL-WNRNVDISSA-N 2 1 345.491 1.151 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cn1 ZINC000874822451 597184447 /nfs/dbraw/zinc/18/44/47/597184447.db2.gz IPEGUPWBOVVWTL-WNRNVDISSA-N 2 1 345.491 1.151 20 0 EDADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnc(N)cn3)CC2)CC1 ZINC000873209673 597229117 /nfs/dbraw/zinc/22/91/17/597229117.db2.gz RYHDXTPBTBNWPX-UHFFFAOYSA-N 2 1 346.523 1.687 20 0 EDADMP CC[C@@H]1COCCN1CCNC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000875072832 597270379 /nfs/dbraw/zinc/27/03/79/597270379.db2.gz CGHXJFNOKPOQAZ-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000876716436 597302604 /nfs/dbraw/zinc/30/26/04/597302604.db2.gz FTWQJVSZEIXKFI-WDGRUPOISA-N 2 1 337.508 1.651 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1csc(C2CC[NH2+]CC2)n1 ZINC000876729719 597309853 /nfs/dbraw/zinc/30/98/53/597309853.db2.gz VFMIEZPOUDGBBG-HIFRSBDPSA-N 2 1 334.489 1.967 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000876762816 597328756 /nfs/dbraw/zinc/32/87/56/597328756.db2.gz HCHLDTGDKQPJAF-CZUORRHYSA-N 2 1 325.478 1.496 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000876762816 597328759 /nfs/dbraw/zinc/32/87/59/597328759.db2.gz HCHLDTGDKQPJAF-CZUORRHYSA-N 2 1 325.478 1.496 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000876762816 597328764 /nfs/dbraw/zinc/32/87/64/597328764.db2.gz HCHLDTGDKQPJAF-CZUORRHYSA-N 2 1 325.478 1.496 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000876762816 597328768 /nfs/dbraw/zinc/32/87/68/597328768.db2.gz HCHLDTGDKQPJAF-CZUORRHYSA-N 2 1 325.478 1.496 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876767451 597330949 /nfs/dbraw/zinc/33/09/49/597330949.db2.gz JTKNYJHEKOLNOD-UBDQQSCGSA-N 2 1 333.451 1.961 20 0 EDADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000876777451 597336388 /nfs/dbraw/zinc/33/63/88/597336388.db2.gz XIWKOQANCYXHIB-GWOVIKRFSA-N 2 1 343.475 1.590 20 0 EDADMP C[N@H+](CCc1ccccc1)CC(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000876805277 597346562 /nfs/dbraw/zinc/34/65/62/597346562.db2.gz YERTXLQPSGXQFB-UHFFFAOYSA-N 2 1 341.459 1.921 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000876805277 597346564 /nfs/dbraw/zinc/34/65/64/597346564.db2.gz YERTXLQPSGXQFB-UHFFFAOYSA-N 2 1 341.459 1.921 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000877230036 597469896 /nfs/dbraw/zinc/46/98/96/597469896.db2.gz VRPLLXUOLFDPKZ-PKOBYXMFSA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000877230036 597469897 /nfs/dbraw/zinc/46/98/97/597469897.db2.gz VRPLLXUOLFDPKZ-PKOBYXMFSA-N 2 1 345.487 1.702 20 0 EDADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000877248986 597478945 /nfs/dbraw/zinc/47/89/45/597478945.db2.gz SJGHOJPOVOKHHT-GGPKGHCWSA-N 2 1 345.487 1.924 20 0 EDADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2)C1 ZINC000877624330 597542271 /nfs/dbraw/zinc/54/22/71/597542271.db2.gz NJKASGLCECBBOH-INIZCTEOSA-N 2 1 332.835 1.986 20 0 EDADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2)C1 ZINC000877624330 597542272 /nfs/dbraw/zinc/54/22/72/597542272.db2.gz NJKASGLCECBBOH-INIZCTEOSA-N 2 1 332.835 1.986 20 0 EDADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(S(N)(=O)=O)o1)CC2 ZINC000877683892 597547374 /nfs/dbraw/zinc/54/73/74/597547374.db2.gz AFGWKXSDDPFQRY-UHFFFAOYSA-N 2 1 327.450 1.235 20 0 EDADMP COc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1OC ZINC000877747901 597552973 /nfs/dbraw/zinc/55/29/73/597552973.db2.gz IWYANYOPBZCCAF-UHFFFAOYSA-N 2 1 333.476 1.916 20 0 EDADMP C[NH+](C)CC1CC[NH+](C[C@H](O)c2cc(Br)no2)CC1 ZINC000877969931 597567190 /nfs/dbraw/zinc/56/71/90/597567190.db2.gz IMNYVBGIJHUGQF-NSHDSACASA-N 2 1 332.242 1.744 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3C[C@H]4CCC[C@@H]4O3)CC2)CC1 ZINC000878247144 597589886 /nfs/dbraw/zinc/58/98/86/597589886.db2.gz USIQYKKRYGIZBZ-QYZOEREBSA-N 2 1 349.519 1.820 20 0 EDADMP CC(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1nnc2ccccn21 ZINC000878373710 597598288 /nfs/dbraw/zinc/59/82/88/597598288.db2.gz AYKPBGJBJADNEB-KRWDZBQOSA-N 2 1 344.463 1.226 20 0 EDADMP Cc1cnc(C2CC[NH+](CC(=O)NC3CC[NH+](C)CC3)CC2)s1 ZINC000878514776 597619446 /nfs/dbraw/zinc/61/94/46/597619446.db2.gz YNVWNNBIDVANDX-UHFFFAOYSA-N 2 1 336.505 1.841 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000879571942 597636439 /nfs/dbraw/zinc/63/64/39/597636439.db2.gz UTTQNKZQRULWLB-SZVBFZGTSA-N 2 1 347.459 1.411 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000879571942 597636440 /nfs/dbraw/zinc/63/64/40/597636440.db2.gz UTTQNKZQRULWLB-SZVBFZGTSA-N 2 1 347.459 1.411 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879571942 597636443 /nfs/dbraw/zinc/63/64/43/597636443.db2.gz UTTQNKZQRULWLB-SZVBFZGTSA-N 2 1 347.459 1.411 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879571942 597636445 /nfs/dbraw/zinc/63/64/45/597636445.db2.gz UTTQNKZQRULWLB-SZVBFZGTSA-N 2 1 347.459 1.411 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000878571204 597638914 /nfs/dbraw/zinc/63/89/14/597638914.db2.gz NZYMANFQEWAGNG-GXTWGEPZSA-N 2 1 334.291 1.713 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000878571204 597638917 /nfs/dbraw/zinc/63/89/17/597638917.db2.gz NZYMANFQEWAGNG-GXTWGEPZSA-N 2 1 334.291 1.713 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879578837 597641023 /nfs/dbraw/zinc/64/10/23/597641023.db2.gz HMJSKVIWAKVFQQ-NLWGTHIKSA-N 2 1 348.487 1.641 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879578837 597641025 /nfs/dbraw/zinc/64/10/25/597641025.db2.gz HMJSKVIWAKVFQQ-NLWGTHIKSA-N 2 1 348.487 1.641 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879578837 597641027 /nfs/dbraw/zinc/64/10/27/597641027.db2.gz HMJSKVIWAKVFQQ-NLWGTHIKSA-N 2 1 348.487 1.641 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000879578837 597641030 /nfs/dbraw/zinc/64/10/30/597641030.db2.gz HMJSKVIWAKVFQQ-NLWGTHIKSA-N 2 1 348.487 1.641 20 0 EDADMP CC(C)C[N@@H+](C[C@H](O)COC1CCOCC1)CC1CC[NH+](C)CC1 ZINC000879704894 597695875 /nfs/dbraw/zinc/69/58/75/597695875.db2.gz XCXSINBWSXSJGC-SFHVURJKSA-N 2 1 342.524 1.843 20 0 EDADMP COC(=O)C1=C(C)O[C@H](C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000878746335 597698085 /nfs/dbraw/zinc/69/80/85/597698085.db2.gz ATDGSOIOMPRIOY-INIZCTEOSA-N 2 1 331.416 1.830 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878825675 597725253 /nfs/dbraw/zinc/72/52/53/597725253.db2.gz KQFQIMWAANVEHU-HZSPNIEDSA-N 2 1 329.485 1.580 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC000879999152 597804566 /nfs/dbraw/zinc/80/45/66/597804566.db2.gz IPAMYRMFRDRJPV-KRWDZBQOSA-N 2 1 335.423 1.489 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC000879999152 597804569 /nfs/dbraw/zinc/80/45/69/597804569.db2.gz IPAMYRMFRDRJPV-KRWDZBQOSA-N 2 1 335.423 1.489 20 0 EDADMP COCC[N@@H+](CCC(=O)N1CCCCC1)CC1CC[NH+](C)CC1 ZINC000879123396 597826415 /nfs/dbraw/zinc/82/64/15/597826415.db2.gz GVZOKCBSPFDXCH-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP CO[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000879327489 597887797 /nfs/dbraw/zinc/88/77/97/597887797.db2.gz VYBIRLDKFUADHM-NXHRZFHOSA-N 2 1 333.476 1.905 20 0 EDADMP CN(C)c1cc(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc[nH+]1 ZINC000880607598 597979719 /nfs/dbraw/zinc/97/97/19/597979719.db2.gz VMYZTAIPKZBRDU-UHFFFAOYSA-N 2 1 347.463 1.913 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1coc(-c2ccccn2)n1 ZINC000880664498 597990863 /nfs/dbraw/zinc/99/08/63/597990863.db2.gz SBYOVMCOHLKJGE-AWEZNQCLSA-N 2 1 345.447 1.738 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1coc(-c2ccccn2)n1 ZINC000880664498 597990866 /nfs/dbraw/zinc/99/08/66/597990866.db2.gz SBYOVMCOHLKJGE-AWEZNQCLSA-N 2 1 345.447 1.738 20 0 EDADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000884199599 598025683 /nfs/dbraw/zinc/02/56/83/598025683.db2.gz DWVSIKJDAOKVMN-MRXNPFEDSA-N 2 1 326.529 1.386 20 0 EDADMP [NH3+]Cc1ocnc1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000884221705 598034265 /nfs/dbraw/zinc/03/42/65/598034265.db2.gz YGNCKZIKABFSSZ-UHFFFAOYSA-N 2 1 338.477 1.615 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884312833 598062803 /nfs/dbraw/zinc/06/28/03/598062803.db2.gz PBIKHVFZQWKHLI-HNNXBMFYSA-N 2 1 333.480 1.341 20 0 EDADMP COc1cc2c(NCC[N@@H+](C)CCOCCO)cc[nH+]c2cc1F ZINC000882951513 598113569 /nfs/dbraw/zinc/11/35/69/598113569.db2.gz IOWICWCRMBXMNF-UHFFFAOYSA-N 2 1 337.395 1.735 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(S(=O)(=O)C[C@@]34CC[NH+](C3)CCC4)CC[C@H]21 ZINC000914258858 695312699 /nfs/dbraw/zinc/31/26/99/695312699.db2.gz GFNKUBAVVXMOLU-BBWFWOEESA-N 2 1 341.521 1.218 20 0 EDADMP CCc1ccc(CN2CCN(C(=O)[C@]3(C)C[C@@H](O)CN3C)CC2)cc1 ZINC000915042412 695720697 /nfs/dbraw/zinc/72/06/97/695720697.db2.gz YTETXUXVWYCAGT-QUCCMNQESA-N 2 1 345.487 1.348 20 0 EDADMP O=C(NC1C[NH+](CCC[C@H]2CCOC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001031236426 695933536 /nfs/dbraw/zinc/93/35/36/695933536.db2.gz WVRWIHFGGKSPFP-KRWDZBQOSA-N 2 1 349.519 1.726 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993575600 696229697 /nfs/dbraw/zinc/22/96/97/696229697.db2.gz OGLZTQAOGPFXAV-GOEBONIOSA-N 2 1 343.431 1.496 20 0 EDADMP Cc1nccnc1C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993758969 696352214 /nfs/dbraw/zinc/35/22/14/696352214.db2.gz JULDVEHCCZEXMD-DOTOQJQBSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993758969 696352215 /nfs/dbraw/zinc/35/22/15/696352215.db2.gz JULDVEHCCZEXMD-DOTOQJQBSA-N 2 1 345.491 1.596 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CC1CCOCC1 ZINC000993760836 696353544 /nfs/dbraw/zinc/35/35/44/696353544.db2.gz NUUNOCHGAIFFBI-YJBOKZPZSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cnc(C[N@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)cn1 ZINC000993761827 696361008 /nfs/dbraw/zinc/36/10/08/696361008.db2.gz OURCRVURHMJNFM-CRAIPNDOSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)cn1 ZINC000993761827 696361010 /nfs/dbraw/zinc/36/10/10/696361010.db2.gz OURCRVURHMJNFM-CRAIPNDOSA-N 2 1 345.491 1.596 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCC[N@H+]1CCCO ZINC000993800677 696377729 /nfs/dbraw/zinc/37/77/29/696377729.db2.gz AGFWXBCYLZACGI-APWZRJJASA-N 2 1 347.503 1.756 20 0 EDADMP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1CCOC1CCC1 ZINC000994250102 696642208 /nfs/dbraw/zinc/64/22/08/696642208.db2.gz IKRQGDJFSDWDSW-DOTOQJQBSA-N 2 1 335.492 1.620 20 0 EDADMP CCc1nocc1C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994256235 696661235 /nfs/dbraw/zinc/66/12/35/696661235.db2.gz RPOYUBOJWDTDMZ-YOEHRIQHSA-N 2 1 346.475 1.802 20 0 EDADMP CCc1nocc1C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994256235 696661237 /nfs/dbraw/zinc/66/12/37/696661237.db2.gz RPOYUBOJWDTDMZ-YOEHRIQHSA-N 2 1 346.475 1.802 20 0 EDADMP Cc1nn(C)cc1CN1CCC[C@H](NC(=O)Cn2ccnc2)[C@@H]1C ZINC000994513083 696958451 /nfs/dbraw/zinc/95/84/51/696958451.db2.gz YWLMXRPLLOHPDT-HOCLYGCPSA-N 2 1 330.436 1.094 20 0 EDADMP Cc1ccc(NCCN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)[nH+]c1 ZINC000925435202 696965323 /nfs/dbraw/zinc/96/53/23/696965323.db2.gz OOFDXDALELKSBE-CQSZACIVSA-N 2 1 331.420 1.208 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C)[C@H](C)C1 ZINC000919050438 697236721 /nfs/dbraw/zinc/23/67/21/697236721.db2.gz IOSVDNGOIDPBCX-PMPSAXMXSA-N 2 1 326.485 1.127 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C)[C@H](C)C1 ZINC000919050438 697236723 /nfs/dbraw/zinc/23/67/23/697236723.db2.gz IOSVDNGOIDPBCX-PMPSAXMXSA-N 2 1 326.485 1.127 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C)[C@H](C)C1 ZINC000919050438 697236724 /nfs/dbraw/zinc/23/67/24/697236724.db2.gz IOSVDNGOIDPBCX-PMPSAXMXSA-N 2 1 326.485 1.127 20 0 EDADMP CCO[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@@H]1CC)C[NH+](C)C ZINC000919528616 697295223 /nfs/dbraw/zinc/29/52/23/697295223.db2.gz NFNZJFNFKHPNPF-HOTGVXAUSA-N 2 1 328.501 1.517 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC001031596720 697297281 /nfs/dbraw/zinc/29/72/81/697297281.db2.gz NYXSSUXGCNORAK-HNNXBMFYSA-N 2 1 345.434 1.191 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC001031596720 697297282 /nfs/dbraw/zinc/29/72/82/697297282.db2.gz NYXSSUXGCNORAK-HNNXBMFYSA-N 2 1 345.434 1.191 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC001031596721 697297368 /nfs/dbraw/zinc/29/73/68/697297368.db2.gz NYXSSUXGCNORAK-OAHLLOKOSA-N 2 1 345.434 1.191 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC001031596721 697297369 /nfs/dbraw/zinc/29/73/69/697297369.db2.gz NYXSSUXGCNORAK-OAHLLOKOSA-N 2 1 345.434 1.191 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)s1 ZINC001015793702 697364833 /nfs/dbraw/zinc/36/48/33/697364833.db2.gz XQIYXKQQIZZZII-HNNXBMFYSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)s1 ZINC001015793702 697364835 /nfs/dbraw/zinc/36/48/35/697364835.db2.gz XQIYXKQQIZZZII-HNNXBMFYSA-N 2 1 336.505 1.874 20 0 EDADMP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031672794 697480755 /nfs/dbraw/zinc/48/07/55/697480755.db2.gz OZXTUAMCJVQUJQ-NVXWUHKLSA-N 2 1 337.508 1.724 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3cnc(C)cn3)C2)CC[N@H+]1C ZINC001031684666 697511799 /nfs/dbraw/zinc/51/17/99/697511799.db2.gz XRBRFENKARLMGR-DLBZAZTESA-N 2 1 331.464 1.063 20 0 EDADMP O=C(NCC1C[NH+](CC2CC3(CCC3)C2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688443 697522775 /nfs/dbraw/zinc/52/27/75/697522775.db2.gz GEGOSCMIGGDVTC-MSOLQXFVSA-N 2 1 347.503 1.478 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cncc(C)c2)C1 ZINC001031710956 697715628 /nfs/dbraw/zinc/71/56/28/697715628.db2.gz ARXPHSJCNQZJNU-SFHVURJKSA-N 2 1 330.476 1.812 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cncc(C)c2)C1 ZINC001031710956 697715632 /nfs/dbraw/zinc/71/56/32/697715632.db2.gz ARXPHSJCNQZJNU-SFHVURJKSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729721 698057663 /nfs/dbraw/zinc/05/76/63/698057663.db2.gz RURBJNSBWMNYJA-QGZVFWFLSA-N 2 1 347.507 1.254 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031729721 698057666 /nfs/dbraw/zinc/05/76/66/698057666.db2.gz RURBJNSBWMNYJA-QGZVFWFLSA-N 2 1 347.507 1.254 20 0 EDADMP O=C(NCC1C[NH+](CC2CC(F)(F)C2)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001031731786 698151758 /nfs/dbraw/zinc/15/17/58/698151758.db2.gz LKHSNQPYTASZHW-CQSZACIVSA-N 2 1 338.402 1.854 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1 ZINC000940108220 700220632 /nfs/dbraw/zinc/22/06/32/700220632.db2.gz AZGIUDIURHQRPA-QGZVFWFLSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940108508 700220848 /nfs/dbraw/zinc/22/08/48/700220848.db2.gz FGEKJVJDPSQYRC-QGZVFWFLSA-N 2 1 347.507 1.764 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001040882679 698464121 /nfs/dbraw/zinc/46/41/21/698464121.db2.gz HZPGBNQYBSKTPJ-UHFFFAOYSA-N 2 1 349.519 1.823 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3ccccn3)CC2)CC[N@H+]1C ZINC000940120334 700253616 /nfs/dbraw/zinc/25/36/16/700253616.db2.gz NFXMCSXITDRQQO-NVXWUHKLSA-N 2 1 330.476 1.893 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)c(C)o1 ZINC000939063195 699106071 /nfs/dbraw/zinc/10/60/71/699106071.db2.gz BSGNNEDLJGRPQF-SJKOYZFVSA-N 2 1 334.464 1.570 20 0 EDADMP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001031776616 699151441 /nfs/dbraw/zinc/15/14/41/699151441.db2.gz KYQICVOVIWTPOO-SFHVURJKSA-N 2 1 331.460 1.728 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000939133481 699218130 /nfs/dbraw/zinc/21/81/30/699218130.db2.gz RNNAHWCOLMOTJP-HOCLYGCPSA-N 2 1 333.480 1.089 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)n1 ZINC000939749042 699896180 /nfs/dbraw/zinc/89/61/80/699896180.db2.gz SLDNEDRFHFLFJA-BBRMVZONSA-N 2 1 343.431 1.232 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000939755532 699906830 /nfs/dbraw/zinc/90/68/30/699906830.db2.gz QSAKEQNWRBNYRC-CZUORRHYSA-N 2 1 332.448 1.584 20 0 EDADMP CCn1cc(CC[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)cn1 ZINC000939757017 699923944 /nfs/dbraw/zinc/92/39/44/699923944.db2.gz WSKYXHMNFICTLJ-PBHICJAKSA-N 2 1 344.463 1.087 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1nncs1 ZINC000939812282 699960170 /nfs/dbraw/zinc/96/01/70/699960170.db2.gz WFZQVHFHKQEGHQ-ZIAGYGMSSA-N 2 1 337.493 1.351 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1)C1CCC1 ZINC000940153954 700283573 /nfs/dbraw/zinc/28/35/73/700283573.db2.gz HWYWKWZOURCAEP-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP CCc1nc(CNC2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)no1 ZINC000940154272 700284012 /nfs/dbraw/zinc/28/40/12/700284012.db2.gz SLUXRZTWHXIBRH-UHFFFAOYSA-N 2 1 349.479 1.587 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2cnc(C)cn2)CC1 ZINC000940214428 700354497 /nfs/dbraw/zinc/35/44/97/700354497.db2.gz MSGQMQGOQKKPHS-UHFFFAOYSA-N 2 1 342.447 1.461 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000940327984 700505728 /nfs/dbraw/zinc/50/57/28/700505728.db2.gz BTLKOQUIVVJROP-CQSZACIVSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3nccs3)CC2)C1 ZINC000940328030 700505759 /nfs/dbraw/zinc/50/57/59/700505759.db2.gz CQRMCIQWDHNTCC-CQSZACIVSA-N 2 1 336.505 1.956 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1 ZINC000940328373 700506165 /nfs/dbraw/zinc/50/61/65/700506165.db2.gz ICMXQLRMCSHORI-GXTWGEPZSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1 ZINC000940328373 700506167 /nfs/dbraw/zinc/50/61/67/700506167.db2.gz ICMXQLRMCSHORI-GXTWGEPZSA-N 2 1 337.493 1.207 20 0 EDADMP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000940328566 700507106 /nfs/dbraw/zinc/50/71/06/700507106.db2.gz KSOHFLUNPDUGPO-INIZCTEOSA-N 2 1 347.507 1.716 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000940329582 700509034 /nfs/dbraw/zinc/50/90/34/700509034.db2.gz VRWLUQHJRGPTNI-GUYCJALGSA-N 2 1 348.491 1.960 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000940329514 700509045 /nfs/dbraw/zinc/50/90/45/700509045.db2.gz UXDFIODDABVONY-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP Cn1cncc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000940329710 700509499 /nfs/dbraw/zinc/50/94/99/700509499.db2.gz XSFFXIOANWGEBZ-UHFFFAOYSA-N 2 1 347.507 1.623 20 0 EDADMP Cn1cc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000940426008 700619249 /nfs/dbraw/zinc/61/92/49/700619249.db2.gz BIPSSXDVCPWNPC-OAHLLOKOSA-N 2 1 333.480 1.233 20 0 EDADMP CC(C)c1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000940457445 700660851 /nfs/dbraw/zinc/66/08/51/700660851.db2.gz GIFSOGPTFQPRIX-AWEZNQCLSA-N 2 1 349.479 1.615 20 0 EDADMP CC(C)c1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000940457445 700660852 /nfs/dbraw/zinc/66/08/52/700660852.db2.gz GIFSOGPTFQPRIX-AWEZNQCLSA-N 2 1 349.479 1.615 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCO)CC1(C)C ZINC000940857761 700956161 /nfs/dbraw/zinc/95/61/61/700956161.db2.gz CRGDAZSUHOYVNI-IRXDYDNUSA-N 2 1 339.524 1.706 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940857761 700956162 /nfs/dbraw/zinc/95/61/62/700956162.db2.gz CRGDAZSUHOYVNI-IRXDYDNUSA-N 2 1 339.524 1.706 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940857761 700956163 /nfs/dbraw/zinc/95/61/63/700956163.db2.gz CRGDAZSUHOYVNI-IRXDYDNUSA-N 2 1 339.524 1.706 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C)CC2 ZINC000940986786 701040973 /nfs/dbraw/zinc/04/09/73/701040973.db2.gz LNSRNFVWJZFGCV-RDJZCZTQSA-N 2 1 348.491 1.353 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C)CC2 ZINC000940986786 701040975 /nfs/dbraw/zinc/04/09/75/701040975.db2.gz LNSRNFVWJZFGCV-RDJZCZTQSA-N 2 1 348.491 1.353 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](C[C@@H](CC)OC)C2)C1 ZINC001031919223 701044438 /nfs/dbraw/zinc/04/44/38/701044438.db2.gz OZXWLAOEDYPHSK-DLBZAZTESA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccccc3)C2)C1 ZINC001031921440 701062554 /nfs/dbraw/zinc/06/25/54/701062554.db2.gz NYEVFOUBSFPUET-SFHVURJKSA-N 2 1 331.460 1.344 20 0 EDADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941091761 701135624 /nfs/dbraw/zinc/13/56/24/701135624.db2.gz ZOFVTOBUXDLLRM-INIZCTEOSA-N 2 1 335.496 1.683 20 0 EDADMP CC1(C)C[N@H+](Cc2ccns2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167266 701378392 /nfs/dbraw/zinc/37/83/92/701378392.db2.gz SLSDHBZBAYMRNA-OAHLLOKOSA-N 2 1 348.516 1.956 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccns2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167266 701378393 /nfs/dbraw/zinc/37/83/93/701378393.db2.gz SLSDHBZBAYMRNA-OAHLLOKOSA-N 2 1 348.516 1.956 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2cnccc2N(C)C)C(C)(C)C1 ZINC000941168156 701379141 /nfs/dbraw/zinc/37/91/41/701379141.db2.gz ASAPYDBNMRVNPC-INIZCTEOSA-N 2 1 334.464 1.624 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941168156 701379143 /nfs/dbraw/zinc/37/91/43/701379143.db2.gz ASAPYDBNMRVNPC-INIZCTEOSA-N 2 1 334.464 1.624 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941168156 701379145 /nfs/dbraw/zinc/37/91/45/701379145.db2.gz ASAPYDBNMRVNPC-INIZCTEOSA-N 2 1 334.464 1.624 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccn3)CC2(C)C)C1 ZINC000941218110 701393289 /nfs/dbraw/zinc/39/32/89/701393289.db2.gz VNTUPOQDBKVTLX-WBVHZDCISA-N 2 1 330.476 1.750 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)CC2(C)C)C1 ZINC000941218110 701393291 /nfs/dbraw/zinc/39/32/91/701393291.db2.gz VNTUPOQDBKVTLX-WBVHZDCISA-N 2 1 330.476 1.750 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)CC2(C)C)C1 ZINC000941218110 701393293 /nfs/dbraw/zinc/39/32/93/701393293.db2.gz VNTUPOQDBKVTLX-WBVHZDCISA-N 2 1 330.476 1.750 20 0 EDADMP Cc1nc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)oc1C ZINC000941216569 701402914 /nfs/dbraw/zinc/40/29/14/701402914.db2.gz FASRHPXNZYHOCP-JKSUJKDBSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)oc1C ZINC000941216569 701402915 /nfs/dbraw/zinc/40/29/15/701402915.db2.gz FASRHPXNZYHOCP-JKSUJKDBSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)oc1C ZINC000941216569 701402916 /nfs/dbraw/zinc/40/29/16/701402916.db2.gz FASRHPXNZYHOCP-JKSUJKDBSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)oc1C ZINC000941216569 701402917 /nfs/dbraw/zinc/40/29/17/701402917.db2.gz FASRHPXNZYHOCP-JKSUJKDBSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCOC2CCC2)CC1(C)C ZINC000941223862 701414095 /nfs/dbraw/zinc/41/40/95/701414095.db2.gz LOYTWPPBRQKPNZ-QGZVFWFLSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCOC2CCC2)CC1(C)C ZINC000941223862 701414096 /nfs/dbraw/zinc/41/40/96/701414096.db2.gz LOYTWPPBRQKPNZ-QGZVFWFLSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(Cc2ncccn2)CC1(C)C ZINC000941224721 701414524 /nfs/dbraw/zinc/41/45/24/701414524.db2.gz XWRVYRINGWTKCK-OAHLLOKOSA-N 2 1 342.447 1.398 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941344096 701480320 /nfs/dbraw/zinc/48/03/20/701480320.db2.gz CAAOMUGTEGTUDR-SFHVURJKSA-N 2 1 334.508 1.099 20 0 EDADMP CC(C)CC[NH+]1CC(N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000941438313 701540944 /nfs/dbraw/zinc/54/09/44/701540944.db2.gz PTANVGNRSVTHNS-UHFFFAOYSA-N 2 1 336.524 1.345 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032129136 701811454 /nfs/dbraw/zinc/81/14/54/701811454.db2.gz RIHFCQPKNAYJKK-IAGOWNOFSA-N 2 1 348.491 1.960 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCO1 ZINC001032658234 706629512 /nfs/dbraw/zinc/62/95/12/706629512.db2.gz QPXVYIBYIIGIFB-YESZJQIVSA-N 2 1 346.475 1.861 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCCO1 ZINC001032658234 706629514 /nfs/dbraw/zinc/62/95/14/706629514.db2.gz QPXVYIBYIIGIFB-YESZJQIVSA-N 2 1 346.475 1.861 20 0 EDADMP CC[C@H](C[NH+]1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1)OC ZINC001031977710 702031883 /nfs/dbraw/zinc/03/18/83/702031883.db2.gz HDIYHQBBADDHMT-NVXWUHKLSA-N 2 1 334.464 1.227 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1[NH2+]CCO ZINC000995823235 702092892 /nfs/dbraw/zinc/09/28/92/702092892.db2.gz NRYULXMCALGQNI-NVXWUHKLSA-N 2 1 337.508 1.460 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCc3nnc(C)o3)C(C)(C)C2)CC[N@H+]1C ZINC000995841133 702121557 /nfs/dbraw/zinc/12/15/57/702121557.db2.gz PLNIQLLPVAKLGB-RRFJBIMHSA-N 2 1 349.479 1.435 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)cn1 ZINC000995915795 702276640 /nfs/dbraw/zinc/27/66/40/702276640.db2.gz GTXFMWVORZQXJG-KRWDZBQOSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)nc1 ZINC000999221481 706655093 /nfs/dbraw/zinc/65/50/93/706655093.db2.gz BQKOOQMPDKQUFO-UHFFFAOYSA-N 2 1 345.491 1.738 20 0 EDADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@H]([NH2+]CC3CC3)C2)n[nH]1 ZINC000999212582 706665624 /nfs/dbraw/zinc/66/56/24/706665624.db2.gz ZLXJHDSRBXBMAN-YOEHRIQHSA-N 2 1 331.464 1.781 20 0 EDADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@H]([NH2+]CC3CC3)C2)n[nH]1 ZINC000999212582 706665627 /nfs/dbraw/zinc/66/56/27/706665627.db2.gz ZLXJHDSRBXBMAN-YOEHRIQHSA-N 2 1 331.464 1.781 20 0 EDADMP C[C@H]1C[N@@H+](CC2CC(F)(F)C2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944168218 702407851 /nfs/dbraw/zinc/40/78/51/702407851.db2.gz HQRSQFRPFXNARD-ZFWWWQNUSA-N 2 1 341.446 1.954 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)ncn1 ZINC000944168871 702409435 /nfs/dbraw/zinc/40/94/35/702409435.db2.gz LGPGTEGJGLVJFO-RHSMWYFYSA-N 2 1 343.475 1.207 20 0 EDADMP CC1(C)CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1[NH2+]CC1CC1 ZINC000996058726 702467542 /nfs/dbraw/zinc/46/75/42/702467542.db2.gz LCDBMEOGEWJHTH-KRWDZBQOSA-N 2 1 330.476 1.999 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2nncs2)C(C)(C)C1)[NH+](C)C ZINC000996243083 702647179 /nfs/dbraw/zinc/64/71/79/702647179.db2.gz CBIWYEQOROLOAD-TZMCWYRMSA-N 2 1 339.509 1.451 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996293106 702685311 /nfs/dbraw/zinc/68/53/11/702685311.db2.gz BICJPBYRPGRSQG-JKSUJKDBSA-N 2 1 333.480 1.194 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)co1 ZINC000996300068 702691162 /nfs/dbraw/zinc/69/11/62/702691162.db2.gz JPTIOWWXEAEDLF-BBRMVZONSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)co1 ZINC000996300068 702691164 /nfs/dbraw/zinc/69/11/64/702691164.db2.gz JPTIOWWXEAEDLF-BBRMVZONSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)ncn1 ZINC000996300928 702692734 /nfs/dbraw/zinc/69/27/34/702692734.db2.gz PFXAVQGYIMRBQU-DOTOQJQBSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1noc(CN[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)n1 ZINC000996301197 702692976 /nfs/dbraw/zinc/69/29/76/702692976.db2.gz RPUQOZGVKHACPO-TZMCWYRMSA-N 2 1 335.452 1.189 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)C1 ZINC000996302759 702694860 /nfs/dbraw/zinc/69/48/60/702694860.db2.gz YWJRLPHSYOAYCP-RHSMWYFYSA-N 2 1 348.466 1.889 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256376 702747592 /nfs/dbraw/zinc/74/75/92/702747592.db2.gz DVDXMPSVEVFKIN-NVXWUHKLSA-N 2 1 345.491 1.375 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256376 702747593 /nfs/dbraw/zinc/74/75/93/702747593.db2.gz DVDXMPSVEVFKIN-NVXWUHKLSA-N 2 1 345.491 1.375 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000996465543 702792739 /nfs/dbraw/zinc/79/27/39/702792739.db2.gz VGYWXOGLVTXUQR-CRAIPNDOSA-N 2 1 345.491 1.991 20 0 EDADMP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996479065 702810585 /nfs/dbraw/zinc/81/05/85/702810585.db2.gz VJWXNDHFLMETDX-WBVHZDCISA-N 2 1 345.491 1.375 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518231 702853931 /nfs/dbraw/zinc/85/39/31/702853931.db2.gz INVWPJGBFSYSRF-RDJZCZTQSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518601 702854270 /nfs/dbraw/zinc/85/42/70/702854270.db2.gz LXLGVSYJCFZKAA-RDJZCZTQSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)no1 ZINC000996519181 702855097 /nfs/dbraw/zinc/85/50/97/702855097.db2.gz NQGFNSJHZREKPQ-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)no1 ZINC000996519181 702855100 /nfs/dbraw/zinc/85/51/00/702855100.db2.gz NQGFNSJHZREKPQ-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)C(C)(C)C1 ZINC000996608685 702912225 /nfs/dbraw/zinc/91/22/25/702912225.db2.gz DKIHJSBMYABXMU-OAHLLOKOSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CCc2ccns2)C(C)(C)C1 ZINC000996610326 702915366 /nfs/dbraw/zinc/91/53/66/702915366.db2.gz IHMFZCDAHWDTJY-OAHLLOKOSA-N 2 1 347.488 1.717 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)o1 ZINC000996611318 702916566 /nfs/dbraw/zinc/91/65/66/702916566.db2.gz MAJUZWNBWIZMPB-INIZCTEOSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)c(C)o1 ZINC000996615038 702922779 /nfs/dbraw/zinc/92/27/79/702922779.db2.gz OQJPIGCAZCIOTN-GDBMZVCRSA-N 2 1 334.464 1.570 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)c(C)o1 ZINC000996615038 702922781 /nfs/dbraw/zinc/92/27/81/702922781.db2.gz OQJPIGCAZCIOTN-GDBMZVCRSA-N 2 1 334.464 1.570 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)ncn1 ZINC000996615925 702923510 /nfs/dbraw/zinc/92/35/10/702923510.db2.gz RXIKIVRVOYROTB-HOCLYGCPSA-N 2 1 331.464 1.063 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(CC)o2)CC1 ZINC000996651649 702941188 /nfs/dbraw/zinc/94/11/88/702941188.db2.gz BPULMGXIWVNABD-OAHLLOKOSA-N 2 1 349.479 1.587 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(CC)o2)CC1 ZINC000996651649 702941191 /nfs/dbraw/zinc/94/11/91/702941191.db2.gz BPULMGXIWVNABD-OAHLLOKOSA-N 2 1 349.479 1.587 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000942446006 702942000 /nfs/dbraw/zinc/94/20/00/702942000.db2.gz ZOMBRGJUAPBURN-GDBMZVCRSA-N 2 1 343.431 1.354 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]C[C@H]3CCOC3)CC2)C1 ZINC000996661323 702958546 /nfs/dbraw/zinc/95/85/46/702958546.db2.gz WVZJFLKBZHZQMU-IAGOWNOFSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1ccc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001032313258 702960374 /nfs/dbraw/zinc/96/03/74/702960374.db2.gz HAXFQELWLZDPBS-GBESFXJTSA-N 2 1 327.472 1.917 20 0 EDADMP Cc1ccc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001032313258 702960376 /nfs/dbraw/zinc/96/03/76/702960376.db2.gz HAXFQELWLZDPBS-GBESFXJTSA-N 2 1 327.472 1.917 20 0 EDADMP Cc1ccc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001032313258 702960378 /nfs/dbraw/zinc/96/03/78/702960378.db2.gz HAXFQELWLZDPBS-GBESFXJTSA-N 2 1 327.472 1.917 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996667341 702964437 /nfs/dbraw/zinc/96/44/37/702964437.db2.gz AJZUUKJWYUDQSH-KRWDZBQOSA-N 2 1 345.491 1.820 20 0 EDADMP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996680189 702978902 /nfs/dbraw/zinc/97/89/02/702978902.db2.gz UBDKDKLGIPBPEG-ZBFHGGJFSA-N 2 1 332.448 1.378 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000996688443 702985882 /nfs/dbraw/zinc/98/58/82/702985882.db2.gz IYCVZQYWDPMFTG-OAHLLOKOSA-N 2 1 335.452 1.333 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000996688443 702985885 /nfs/dbraw/zinc/98/58/85/702985885.db2.gz IYCVZQYWDPMFTG-OAHLLOKOSA-N 2 1 335.452 1.333 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)n1 ZINC000996712534 703007656 /nfs/dbraw/zinc/00/76/56/703007656.db2.gz QHBOGZBDIUOELB-HOTGVXAUSA-N 2 1 347.463 1.476 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)n1 ZINC000996712534 703007659 /nfs/dbraw/zinc/00/76/59/703007659.db2.gz QHBOGZBDIUOELB-HOTGVXAUSA-N 2 1 347.463 1.476 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)c(C)o1 ZINC000996717471 703010870 /nfs/dbraw/zinc/01/08/70/703010870.db2.gz ANUGXOHDYUWQGV-KRWDZBQOSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC000996717691 703011187 /nfs/dbraw/zinc/01/11/87/703011187.db2.gz BVCJVJYVLCSWCH-MRXNPFEDSA-N 2 1 331.464 1.350 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC000996755119 703043810 /nfs/dbraw/zinc/04/38/10/703043810.db2.gz APZTYJBOOQPAMS-MRXNPFEDSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000996761570 703049868 /nfs/dbraw/zinc/04/98/68/703049868.db2.gz HYENMBPTNTWHPH-QGZVFWFLSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2cn(C)nc2C)CC1 ZINC000996796909 703080964 /nfs/dbraw/zinc/08/09/64/703080964.db2.gz BORCDYYDOBRFQY-UHFFFAOYSA-N 2 1 330.436 1.014 20 0 EDADMP CCN1CC[NH+](C2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC000996801808 703087827 /nfs/dbraw/zinc/08/78/27/703087827.db2.gz HXJLWBZNFWKTKH-UHFFFAOYSA-N 2 1 333.480 1.256 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597977 703112842 /nfs/dbraw/zinc/11/28/42/703112842.db2.gz PCNWOWLPICFSQL-WMLDXEAASA-N 2 1 333.480 1.089 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598396 703113431 /nfs/dbraw/zinc/11/34/31/703113431.db2.gz WYBYWZUVICXZTA-UGSOOPFHSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(C)CCO1 ZINC001032332929 703117932 /nfs/dbraw/zinc/11/79/32/703117932.db2.gz GKZHQLVNVCVNQW-LNLFQRSKSA-N 2 1 343.471 1.419 20 0 EDADMP Cc1cccc(C)c1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(C)CCO1 ZINC001032332929 703117933 /nfs/dbraw/zinc/11/79/33/703117933.db2.gz GKZHQLVNVCVNQW-LNLFQRSKSA-N 2 1 343.471 1.419 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccn2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032044405 703240757 /nfs/dbraw/zinc/24/07/57/703240757.db2.gz RIXLVADTJWCAMX-ROUUACIJSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccn2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032044405 703240758 /nfs/dbraw/zinc/24/07/58/703240758.db2.gz RIXLVADTJWCAMX-ROUUACIJSA-N 2 1 328.460 1.647 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)oc1C ZINC000997006323 703263595 /nfs/dbraw/zinc/26/35/95/703263595.db2.gz KUUYVJSIZQXOOY-ZDUSSCGKSA-N 2 1 334.464 1.714 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000997007234 703264374 /nfs/dbraw/zinc/26/43/74/703264374.db2.gz IZLDLJXOECGVJP-CXAGYDPISA-N 2 1 346.475 1.830 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000997007320 703264742 /nfs/dbraw/zinc/26/47/42/703264742.db2.gz QCFDTBAIHRJERL-CYBMUJFWSA-N 2 1 329.435 1.954 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000997007964 703265533 /nfs/dbraw/zinc/26/55/33/703265533.db2.gz KNKZAAMUKAHKJN-DOMZBBRYSA-N 2 1 347.463 1.225 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000997007964 703265534 /nfs/dbraw/zinc/26/55/34/703265534.db2.gz KNKZAAMUKAHKJN-DOMZBBRYSA-N 2 1 347.463 1.225 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000997013244 703272924 /nfs/dbraw/zinc/27/29/24/703272924.db2.gz ZFSDIGKCRVKSHZ-HIFRSBDPSA-N 2 1 349.479 1.471 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000997013244 703272926 /nfs/dbraw/zinc/27/29/26/703272926.db2.gz ZFSDIGKCRVKSHZ-HIFRSBDPSA-N 2 1 349.479 1.471 20 0 EDADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](C/C=C\Cl)CC1 ZINC000997179134 703463201 /nfs/dbraw/zinc/46/32/01/703463201.db2.gz XRPBWERRFKKWAY-RLWDDLAKSA-N 2 1 343.899 1.675 20 0 EDADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](C/C=C\Cl)CC1 ZINC000997179134 703463202 /nfs/dbraw/zinc/46/32/02/703463202.db2.gz XRPBWERRFKKWAY-RLWDDLAKSA-N 2 1 343.899 1.675 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997187339 703476864 /nfs/dbraw/zinc/47/68/64/703476864.db2.gz XUEYUIHITVAENJ-OAHLLOKOSA-N 2 1 333.480 1.151 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C2CC[NH+](CCCF)CC2)C1 ZINC000997270945 703533628 /nfs/dbraw/zinc/53/36/28/703533628.db2.gz CKOJRGUZFPQYMA-WBVHZDCISA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)C2CC[NH+](CCCF)CC2)C1 ZINC000997270945 703533629 /nfs/dbraw/zinc/53/36/29/703533629.db2.gz CKOJRGUZFPQYMA-WBVHZDCISA-N 2 1 343.487 1.672 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)C2CC[NH+](CCOC)CC2)C1 ZINC000997274591 703535133 /nfs/dbraw/zinc/53/51/33/703535133.db2.gz NJSKKEKUNHPKNK-SJLPKXTDSA-N 2 1 339.524 1.972 20 0 EDADMP Cc1nnc([C@H](C)[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997261918 703540595 /nfs/dbraw/zinc/54/05/95/703540595.db2.gz YJKNEHZHCJONRZ-DVOMOZLQSA-N 2 1 349.479 1.750 20 0 EDADMP Cc1nnc([C@H](C)[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000997261918 703540597 /nfs/dbraw/zinc/54/05/97/703540597.db2.gz YJKNEHZHCJONRZ-DVOMOZLQSA-N 2 1 349.479 1.750 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000997308828 703566818 /nfs/dbraw/zinc/56/68/18/703566818.db2.gz IAWGTWHJZYDXQP-KRWDZBQOSA-N 2 1 334.464 1.731 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2ccn(C(C)C)n2)CC1 ZINC000997310309 703567471 /nfs/dbraw/zinc/56/74/71/703567471.db2.gz QVZVNEQAHOECCO-UHFFFAOYSA-N 2 1 344.463 1.750 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC000997338823 703573164 /nfs/dbraw/zinc/57/31/64/703573164.db2.gz LEOCIXNNIVVZEM-QGZVFWFLSA-N 2 1 337.508 1.724 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC000997338823 703573165 /nfs/dbraw/zinc/57/31/65/703573165.db2.gz LEOCIXNNIVVZEM-QGZVFWFLSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)no1 ZINC000997366220 703599999 /nfs/dbraw/zinc/59/99/99/703599999.db2.gz ZGLGZDPPPGVILY-AWEZNQCLSA-N 2 1 349.479 1.896 20 0 EDADMP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(C)(C)C2)CC1 ZINC001032705933 706756469 /nfs/dbraw/zinc/75/64/69/706756469.db2.gz RQZUXSBPZCQOJU-IRXDYDNUSA-N 2 1 349.519 1.819 20 0 EDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1)C1CCC1 ZINC001032448814 703624538 /nfs/dbraw/zinc/62/45/38/703624538.db2.gz WWGJBLGTDCGKNO-BZSNNMDCSA-N 2 1 335.492 1.571 20 0 EDADMP CO[C@@H](C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C1CCC1)C1CCC1 ZINC001032448814 703624539 /nfs/dbraw/zinc/62/45/39/703624539.db2.gz WWGJBLGTDCGKNO-BZSNNMDCSA-N 2 1 335.492 1.571 20 0 EDADMP CO[C@@H](C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C1CCC1)C1CCC1 ZINC001032448814 703624540 /nfs/dbraw/zinc/62/45/40/703624540.db2.gz WWGJBLGTDCGKNO-BZSNNMDCSA-N 2 1 335.492 1.571 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCO)C2 ZINC001040430324 703709239 /nfs/dbraw/zinc/70/92/39/703709239.db2.gz APLWGKPFYGDOSC-MJGOQNOKSA-N 2 1 337.508 1.556 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2 ZINC001040430324 703709241 /nfs/dbraw/zinc/70/92/41/703709241.db2.gz APLWGKPFYGDOSC-MJGOQNOKSA-N 2 1 337.508 1.556 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040430324 703709242 /nfs/dbraw/zinc/70/92/42/703709242.db2.gz APLWGKPFYGDOSC-MJGOQNOKSA-N 2 1 337.508 1.556 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997513982 703762437 /nfs/dbraw/zinc/76/24/37/703762437.db2.gz APJOARUSVVSLMQ-HOCLYGCPSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000997513982 703762438 /nfs/dbraw/zinc/76/24/38/703762438.db2.gz APJOARUSVVSLMQ-HOCLYGCPSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000997612744 703910267 /nfs/dbraw/zinc/91/02/67/703910267.db2.gz KPOKOYBPYPFVBP-QGZVFWFLSA-N 2 1 331.464 1.207 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ncccn1 ZINC000997613684 703913281 /nfs/dbraw/zinc/91/32/81/703913281.db2.gz PCXCIKQCGGQQBZ-HOCLYGCPSA-N 2 1 331.464 1.460 20 0 EDADMP CCc1noc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000997615763 703914784 /nfs/dbraw/zinc/91/47/84/703914784.db2.gz WVHBUHAAHXKMGT-DZGCQCFKSA-N 2 1 349.479 1.615 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(CO)cc2)C(C)(C)C1 ZINC000995550087 703929391 /nfs/dbraw/zinc/92/93/91/703929391.db2.gz HSZUVDZKCKMNFB-ZWKOTPCHSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997640959 703945774 /nfs/dbraw/zinc/94/57/74/703945774.db2.gz CHLSEVYBQWUBKD-MAUKXSAKSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033070177 704100197 /nfs/dbraw/zinc/10/01/97/704100197.db2.gz ORMDOPXFXRWCSL-IRXDYDNUSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033070177 704100201 /nfs/dbraw/zinc/10/02/01/704100201.db2.gz ORMDOPXFXRWCSL-IRXDYDNUSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033070177 704100203 /nfs/dbraw/zinc/10/02/03/704100203.db2.gz ORMDOPXFXRWCSL-IRXDYDNUSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033070177 704100207 /nfs/dbraw/zinc/10/02/07/704100207.db2.gz ORMDOPXFXRWCSL-IRXDYDNUSA-N 2 1 334.464 1.889 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033079006 704130808 /nfs/dbraw/zinc/13/08/08/704130808.db2.gz YZBIIHIZWYKQJP-JKSUJKDBSA-N 2 1 325.497 1.819 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033081735 704137522 /nfs/dbraw/zinc/13/75/22/704137522.db2.gz NSPMQNOFEKDJHN-MSOLQXFVSA-N 2 1 345.491 1.103 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001033091132 704165491 /nfs/dbraw/zinc/16/54/91/704165491.db2.gz HGGOXNYHNAAWIL-KBRIMQKVSA-N 2 1 331.464 1.158 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001033091132 704165493 /nfs/dbraw/zinc/16/54/93/704165493.db2.gz HGGOXNYHNAAWIL-KBRIMQKVSA-N 2 1 331.464 1.158 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001033091132 704165494 /nfs/dbraw/zinc/16/54/94/704165494.db2.gz HGGOXNYHNAAWIL-KBRIMQKVSA-N 2 1 331.464 1.158 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001033091132 704165496 /nfs/dbraw/zinc/16/54/96/704165496.db2.gz HGGOXNYHNAAWIL-KBRIMQKVSA-N 2 1 331.464 1.158 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033095223 704181537 /nfs/dbraw/zinc/18/15/37/704181537.db2.gz UONIKHNTQWSPJL-QLFBSQMISA-N 2 1 336.505 1.824 20 0 EDADMP Cc1ncsc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095223 704181538 /nfs/dbraw/zinc/18/15/38/704181538.db2.gz UONIKHNTQWSPJL-QLFBSQMISA-N 2 1 336.505 1.824 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095223 704181540 /nfs/dbraw/zinc/18/15/40/704181540.db2.gz UONIKHNTQWSPJL-QLFBSQMISA-N 2 1 336.505 1.824 20 0 EDADMP Cc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033095518 704182335 /nfs/dbraw/zinc/18/23/35/704182335.db2.gz YWPJUTQQZHEVFV-BPQIPLTHSA-N 2 1 330.476 1.763 20 0 EDADMP Cc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095518 704182336 /nfs/dbraw/zinc/18/23/36/704182336.db2.gz YWPJUTQQZHEVFV-BPQIPLTHSA-N 2 1 330.476 1.763 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095518 704182337 /nfs/dbraw/zinc/18/23/37/704182337.db2.gz YWPJUTQQZHEVFV-BPQIPLTHSA-N 2 1 330.476 1.763 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccnn3C)C2)CC[N@@H+]1C ZINC001033095606 704182515 /nfs/dbraw/zinc/18/25/15/704182515.db2.gz CHQNCFHRSWLODT-BHYGNILZSA-N 2 1 333.480 1.183 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccnn3C)C2)CC[N@H+]1C ZINC001033095606 704182517 /nfs/dbraw/zinc/18/25/17/704182517.db2.gz CHQNCFHRSWLODT-BHYGNILZSA-N 2 1 333.480 1.183 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccnn3C)C2)CC[NH+]1C ZINC001033095606 704182521 /nfs/dbraw/zinc/18/25/21/704182521.db2.gz CHQNCFHRSWLODT-BHYGNILZSA-N 2 1 333.480 1.183 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccnn3C)C2)CC[NH+]1C ZINC001033095606 704182523 /nfs/dbraw/zinc/18/25/23/704182523.db2.gz CHQNCFHRSWLODT-BHYGNILZSA-N 2 1 333.480 1.183 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCF)C[C@H]3CC2)CC[N@H+]1C ZINC000946597806 704306337 /nfs/dbraw/zinc/30/63/37/704306337.db2.gz LEVGYOFYACODJK-VVLHAWIVSA-N 2 1 325.472 1.857 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCF)C[C@H]3CC2)CC[NH+]1C ZINC000946597806 704306338 /nfs/dbraw/zinc/30/63/38/704306338.db2.gz LEVGYOFYACODJK-VVLHAWIVSA-N 2 1 325.472 1.857 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCF)C[C@H]3CC2)CC[NH+]1C ZINC000946597806 704306341 /nfs/dbraw/zinc/30/63/41/704306341.db2.gz LEVGYOFYACODJK-VVLHAWIVSA-N 2 1 325.472 1.857 20 0 EDADMP Cc1nnsc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947935199 704627709 /nfs/dbraw/zinc/62/77/09/704627709.db2.gz PKXDKOTWHKQTIH-GXTWGEPZSA-N 2 1 349.504 1.411 20 0 EDADMP Cc1nnsc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947935199 704627712 /nfs/dbraw/zinc/62/77/12/704627712.db2.gz PKXDKOTWHKQTIH-GXTWGEPZSA-N 2 1 349.504 1.411 20 0 EDADMP CCc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC000997786534 704692440 /nfs/dbraw/zinc/69/24/40/704692440.db2.gz SCBUSMZDPYWRMA-UKRRQHHQSA-N 2 1 349.479 1.300 20 0 EDADMP CCc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC000997786534 704692441 /nfs/dbraw/zinc/69/24/41/704692441.db2.gz SCBUSMZDPYWRMA-UKRRQHHQSA-N 2 1 349.479 1.300 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1)[NH+]1CCCC1 ZINC001032557692 704739156 /nfs/dbraw/zinc/73/91/56/704739156.db2.gz PJSCMPARWUIWOQ-ROUUACIJSA-N 2 1 349.519 1.963 20 0 EDADMP C[C@@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)O1 ZINC000997830300 704749053 /nfs/dbraw/zinc/74/90/53/704749053.db2.gz HNLNCVYCFFLPIO-CRAIPNDOSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)ncn1 ZINC000997830281 704749182 /nfs/dbraw/zinc/74/91/82/704749182.db2.gz HDXNEGCYNVXQHG-UHFFFAOYSA-N 2 1 345.491 1.598 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000997840037 704756365 /nfs/dbraw/zinc/75/63/65/704756365.db2.gz MHHMVSYUAASLLJ-KRWDZBQOSA-N 2 1 345.491 1.679 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997840151 704756402 /nfs/dbraw/zinc/75/64/02/704756402.db2.gz MSBWQZLCPTZNFI-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]1CN(Cc2coc(C3CC3)n2)CC[C@H]1NC(=O)CN1CCCC1 ZINC000944942562 704794816 /nfs/dbraw/zinc/79/48/16/704794816.db2.gz BCJMUXQSHJZGRL-WMLDXEAASA-N 2 1 346.475 1.974 20 0 EDADMP COc1ccnc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)c1 ZINC000944944316 704797337 /nfs/dbraw/zinc/79/73/37/704797337.db2.gz MPMZYKUGZIJOFA-MAUKXSAKSA-N 2 1 346.475 1.513 20 0 EDADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944945912 704799020 /nfs/dbraw/zinc/79/90/20/704799020.db2.gz UIUWXWMWQFMJKF-GOEBONIOSA-N 2 1 348.495 1.029 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)on1 ZINC000944946197 704799037 /nfs/dbraw/zinc/79/90/37/704799037.db2.gz VEWIRECZVXGNDL-UKRRQHHQSA-N 2 1 336.436 1.106 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)on1 ZINC000944946197 704799039 /nfs/dbraw/zinc/79/90/39/704799039.db2.gz VEWIRECZVXGNDL-UKRRQHHQSA-N 2 1 336.436 1.106 20 0 EDADMP Cc1ncsc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944946233 704799361 /nfs/dbraw/zinc/79/93/61/704799361.db2.gz VSEYSGRXAGLTRT-UKRRQHHQSA-N 2 1 336.505 1.874 20 0 EDADMP C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000945028229 704954929 /nfs/dbraw/zinc/95/49/29/704954929.db2.gz GCGQFMGRXDBTGW-YJBOKZPZSA-N 2 1 333.476 1.571 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997916368 704981945 /nfs/dbraw/zinc/98/19/45/704981945.db2.gz SCHGKXCXPLJTNW-KRWDZBQOSA-N 2 1 334.464 1.446 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H]3C[C@H]1C[N@@H+]3CC1CCC1)CC2 ZINC001032591286 705179037 /nfs/dbraw/zinc/17/90/37/705179037.db2.gz RRLHUOXAZGULBX-NJAFHUGGSA-N 2 1 328.460 1.839 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H]3C[C@H]1C[N@H+]3CC1CCC1)CC2 ZINC001032591286 705179039 /nfs/dbraw/zinc/17/90/39/705179039.db2.gz RRLHUOXAZGULBX-NJAFHUGGSA-N 2 1 328.460 1.839 20 0 EDADMP CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000998043123 705238483 /nfs/dbraw/zinc/23/84/83/705238483.db2.gz XAACPMQHPJKKGH-BZUAXINKSA-N 2 1 334.464 1.599 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC000998080473 705305983 /nfs/dbraw/zinc/30/59/83/705305983.db2.gz ALUYWZNZUQDAEK-ZIAGYGMSSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000998082645 705310401 /nfs/dbraw/zinc/31/04/01/705310401.db2.gz RUWDLZOSZYDZSY-ZIAGYGMSSA-N 2 1 349.479 1.609 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000998097288 705322252 /nfs/dbraw/zinc/32/22/52/705322252.db2.gz BUSQISSCDUPJJE-IRXDYDNUSA-N 2 1 325.497 1.556 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](CCCO)CC1 ZINC000998097288 705322258 /nfs/dbraw/zinc/32/22/58/705322258.db2.gz BUSQISSCDUPJJE-IRXDYDNUSA-N 2 1 325.497 1.556 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](CCCO)CC1 ZINC000998097288 705322262 /nfs/dbraw/zinc/32/22/62/705322262.db2.gz BUSQISSCDUPJJE-IRXDYDNUSA-N 2 1 325.497 1.556 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCC[C@H]3CCOC3)C2)CC1 ZINC001015898514 705419727 /nfs/dbraw/zinc/41/97/27/705419727.db2.gz FRIBHMCITLRVJV-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC000998186669 705490500 /nfs/dbraw/zinc/49/05/00/705490500.db2.gz BQCBYVIVJJYXJI-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000998186669 705490501 /nfs/dbraw/zinc/49/05/01/705490501.db2.gz BQCBYVIVJJYXJI-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC000998186669 705490503 /nfs/dbraw/zinc/49/05/03/705490503.db2.gz BQCBYVIVJJYXJI-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC000998186669 705490506 /nfs/dbraw/zinc/49/05/06/705490506.db2.gz BQCBYVIVJJYXJI-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998189255 705494561 /nfs/dbraw/zinc/49/45/61/705494561.db2.gz MTXMWBGQZXSXIZ-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998189255 705494562 /nfs/dbraw/zinc/49/45/62/705494562.db2.gz MTXMWBGQZXSXIZ-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000998189255 705494563 /nfs/dbraw/zinc/49/45/63/705494563.db2.gz MTXMWBGQZXSXIZ-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998189255 705494564 /nfs/dbraw/zinc/49/45/64/705494564.db2.gz MTXMWBGQZXSXIZ-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)c(C)o1 ZINC000998215648 705536853 /nfs/dbraw/zinc/53/68/53/705536853.db2.gz CXNAMUAEZRARMF-QGZVFWFLSA-N 2 1 348.491 1.961 20 0 EDADMP Cc1ncoc1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998217951 705540510 /nfs/dbraw/zinc/54/05/10/705540510.db2.gz UPCURUAQVLSGEW-INIZCTEOSA-N 2 1 334.464 1.653 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC000998266764 705635630 /nfs/dbraw/zinc/63/56/30/705635630.db2.gz QRLRUXSCIYBASA-IAGOWNOFSA-N 2 1 337.508 1.581 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1csnn1 ZINC000998267661 705638851 /nfs/dbraw/zinc/63/88/51/705638851.db2.gz YIUIZYOOKFGKKE-GXTWGEPZSA-N 2 1 337.493 1.379 20 0 EDADMP CC(C)n1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC000998275401 705659060 /nfs/dbraw/zinc/65/90/60/705659060.db2.gz ZMRUUPPIJOKRDS-MRXNPFEDSA-N 2 1 348.495 1.139 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC000998534243 705968871 /nfs/dbraw/zinc/96/88/71/705968871.db2.gz DPKPLAQCTRASOQ-RUXDESIVSA-N 2 1 349.479 1.540 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC000998534243 705968873 /nfs/dbraw/zinc/96/88/73/705968873.db2.gz DPKPLAQCTRASOQ-RUXDESIVSA-N 2 1 349.479 1.540 20 0 EDADMP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000998552198 705989670 /nfs/dbraw/zinc/98/96/70/705989670.db2.gz SZIZMFACEWJCBW-NRXISQOPSA-N 2 1 334.464 1.719 20 0 EDADMP CC(C)Cn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998720194 706152553 /nfs/dbraw/zinc/15/25/53/706152553.db2.gz IRGRAHFLIHFMSE-CVEARBPZSA-N 2 1 348.495 1.109 20 0 EDADMP CC(C)Cn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998720194 706152557 /nfs/dbraw/zinc/15/25/57/706152557.db2.gz IRGRAHFLIHFMSE-CVEARBPZSA-N 2 1 348.495 1.109 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC000998721545 706157318 /nfs/dbraw/zinc/15/73/18/706157318.db2.gz MRRMCKHZPREVEA-RYUDHWBXSA-N 2 1 342.896 1.971 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC000998721545 706157319 /nfs/dbraw/zinc/15/73/19/706157319.db2.gz MRRMCKHZPREVEA-RYUDHWBXSA-N 2 1 342.896 1.971 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnsn2)C1 ZINC000998763250 706202240 /nfs/dbraw/zinc/20/22/40/706202240.db2.gz NCGNZMSUDCAHCL-ZALBZXLWSA-N 2 1 337.493 1.490 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnsn2)C1 ZINC000998763250 706202244 /nfs/dbraw/zinc/20/22/44/706202244.db2.gz NCGNZMSUDCAHCL-ZALBZXLWSA-N 2 1 337.493 1.490 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCc3ccccc3)C2)C1 ZINC000998823546 706269879 /nfs/dbraw/zinc/26/98/79/706269879.db2.gz INWWZBFSHXOTTM-ROUUACIJSA-N 2 1 331.460 1.140 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCc3ccccc3)C2)C1 ZINC000998823546 706269883 /nfs/dbraw/zinc/26/98/83/706269883.db2.gz INWWZBFSHXOTTM-ROUUACIJSA-N 2 1 331.460 1.140 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000998994867 706412022 /nfs/dbraw/zinc/41/20/22/706412022.db2.gz LSSDLMMBHCDAPR-BDVYOWHSSA-N 2 1 333.480 1.026 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2ccc(F)cn2)C1 ZINC000999127573 706529311 /nfs/dbraw/zinc/52/93/11/706529311.db2.gz SCWMOGSHERQTOK-UHFFFAOYSA-N 2 1 331.395 1.505 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999122923 706547737 /nfs/dbraw/zinc/54/77/37/706547737.db2.gz FAZHHRWNPJRYCF-UHFFFAOYSA-N 2 1 343.431 1.836 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999146993 706560638 /nfs/dbraw/zinc/56/06/38/706560638.db2.gz ZIWCZPHEIGVOPY-IRXDYDNUSA-N 2 1 333.480 1.374 20 0 EDADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ncccn1 ZINC000999354772 706843942 /nfs/dbraw/zinc/84/39/42/706843942.db2.gz RXSZELQCEAATCF-GJZGRUSLSA-N 2 1 331.464 1.603 20 0 EDADMP COc1cccc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC000999398892 706893341 /nfs/dbraw/zinc/89/33/41/706893341.db2.gz AXZIASVLQOYULN-ODIFPOPNSA-N 2 1 346.475 1.654 20 0 EDADMP CC(C)n1cc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC000999406875 706916456 /nfs/dbraw/zinc/91/64/56/706916456.db2.gz AYYLJXAETDKWCZ-HPUBIQBYSA-N 2 1 348.495 1.280 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC000999409826 706919940 /nfs/dbraw/zinc/91/99/40/706919940.db2.gz TYLSHAVQPNRFHY-NFOMZHRRSA-N 2 1 349.479 1.443 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC000999409826 706919942 /nfs/dbraw/zinc/91/99/42/706919942.db2.gz TYLSHAVQPNRFHY-NFOMZHRRSA-N 2 1 349.479 1.443 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]C[C@H]2CCCCO2)C1 ZINC000999410379 706920204 /nfs/dbraw/zinc/92/02/04/706920204.db2.gz WKZDYYGJMDEJLE-OFLPRAFFSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nncn2C)C1 ZINC000999507368 707005009 /nfs/dbraw/zinc/00/50/09/707005009.db2.gz YBWFVSDUQVPKSJ-UYSNPLJNSA-N 2 1 348.495 1.157 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999511844 707010393 /nfs/dbraw/zinc/01/03/93/707010393.db2.gz MQXUWKIRTMNXKW-WBVHZDCISA-N 2 1 348.495 1.171 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000999511844 707010396 /nfs/dbraw/zinc/01/03/96/707010396.db2.gz MQXUWKIRTMNXKW-WBVHZDCISA-N 2 1 348.495 1.171 20 0 EDADMP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000999514264 707013412 /nfs/dbraw/zinc/01/34/12/707013412.db2.gz VLPQTESKYFGNQW-MSOLQXFVSA-N 2 1 330.476 1.955 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999572916 707079300 /nfs/dbraw/zinc/07/93/00/707079300.db2.gz GGJXRKYRQFJDDC-QZTJIDSGSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)[nH]1 ZINC000999597504 707100285 /nfs/dbraw/zinc/10/02/85/707100285.db2.gz PQOQYXGPZVWILS-UKRRQHHQSA-N 2 1 346.479 1.383 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC000999599884 707102406 /nfs/dbraw/zinc/10/24/06/707102406.db2.gz WDNLJNKDZRTPFA-UHFFFAOYSA-N 2 1 335.452 1.189 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ocnc3C)C[C@H]2CC1)[NH+](C)C ZINC000946784075 707281711 /nfs/dbraw/zinc/28/17/11/707281711.db2.gz AVDVDLOZTDFWOG-BBWFWOEESA-N 2 1 348.491 1.994 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999792575 707363755 /nfs/dbraw/zinc/36/37/55/707363755.db2.gz NNLHNNSAATVGIZ-SJLPKXTDSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001033184236 707364502 /nfs/dbraw/zinc/36/45/02/707364502.db2.gz HIVVJZABHNXNIT-NZSAHSFTSA-N 2 1 345.487 1.747 20 0 EDADMP Cc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001033184236 707364506 /nfs/dbraw/zinc/36/45/06/707364506.db2.gz HIVVJZABHNXNIT-NZSAHSFTSA-N 2 1 345.487 1.747 20 0 EDADMP Cc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001033184236 707364508 /nfs/dbraw/zinc/36/45/08/707364508.db2.gz HIVVJZABHNXNIT-NZSAHSFTSA-N 2 1 345.487 1.747 20 0 EDADMP Cc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001033184236 707364511 /nfs/dbraw/zinc/36/45/11/707364511.db2.gz HIVVJZABHNXNIT-NZSAHSFTSA-N 2 1 345.487 1.747 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033296631 707407121 /nfs/dbraw/zinc/40/71/21/707407121.db2.gz WRIXCABRAGRZNL-MSOLQXFVSA-N 2 1 345.491 1.327 20 0 EDADMP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033296631 707407125 /nfs/dbraw/zinc/40/71/25/707407125.db2.gz WRIXCABRAGRZNL-MSOLQXFVSA-N 2 1 345.491 1.327 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)o1 ZINC001033197152 707415596 /nfs/dbraw/zinc/41/55/96/707415596.db2.gz HDXHMGDQTNVZFV-HOTGVXAUSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)o1 ZINC001033197152 707415599 /nfs/dbraw/zinc/41/55/99/707415599.db2.gz HDXHMGDQTNVZFV-HOTGVXAUSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)o1 ZINC001033197152 707415602 /nfs/dbraw/zinc/41/56/02/707415602.db2.gz HDXHMGDQTNVZFV-HOTGVXAUSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)o1 ZINC001033197152 707415606 /nfs/dbraw/zinc/41/56/06/707415606.db2.gz HDXHMGDQTNVZFV-HOTGVXAUSA-N 2 1 334.464 1.808 20 0 EDADMP COc1ncccc1CN1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001033199815 707453556 /nfs/dbraw/zinc/45/35/56/707453556.db2.gz YUOLECTVXAKNHO-IRXDYDNUSA-N 2 1 346.475 1.607 20 0 EDADMP C[C@H]([NH2+]Cc1cnon1)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004879341 707551968 /nfs/dbraw/zinc/55/19/68/707551968.db2.gz RFVNAGKXEVFVSZ-BBRMVZONSA-N 2 1 335.452 1.413 20 0 EDADMP C[C@H]([NH2+]Cc1cnon1)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004879341 707551971 /nfs/dbraw/zinc/55/19/71/707551971.db2.gz RFVNAGKXEVFVSZ-BBRMVZONSA-N 2 1 335.452 1.413 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001033357806 707676023 /nfs/dbraw/zinc/67/60/23/707676023.db2.gz KMJQZLVUGXEJGD-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001033357806 707676026 /nfs/dbraw/zinc/67/60/26/707676026.db2.gz KMJQZLVUGXEJGD-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001033357806 707676029 /nfs/dbraw/zinc/67/60/29/707676029.db2.gz KMJQZLVUGXEJGD-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001033357806 707676031 /nfs/dbraw/zinc/67/60/31/707676031.db2.gz KMJQZLVUGXEJGD-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP CCn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)cn1 ZINC001032731594 707734120 /nfs/dbraw/zinc/73/41/20/707734120.db2.gz MGNQJLKXVMJVGL-NJAFHUGGSA-N 2 1 345.491 1.072 20 0 EDADMP CCn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)cn1 ZINC001032731594 707734123 /nfs/dbraw/zinc/73/41/23/707734123.db2.gz MGNQJLKXVMJVGL-NJAFHUGGSA-N 2 1 345.491 1.072 20 0 EDADMP CCn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001032731594 707734127 /nfs/dbraw/zinc/73/41/27/707734127.db2.gz MGNQJLKXVMJVGL-NJAFHUGGSA-N 2 1 345.491 1.072 20 0 EDADMP CCn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001032731594 707734131 /nfs/dbraw/zinc/73/41/31/707734131.db2.gz MGNQJLKXVMJVGL-NJAFHUGGSA-N 2 1 345.491 1.072 20 0 EDADMP CN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033419742 707828668 /nfs/dbraw/zinc/82/86/68/707828668.db2.gz CHEDDNDKTCLFPH-HNNXBMFYSA-N 2 1 332.448 1.827 20 0 EDADMP CN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033419742 707828670 /nfs/dbraw/zinc/82/86/70/707828670.db2.gz CHEDDNDKTCLFPH-HNNXBMFYSA-N 2 1 332.448 1.827 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228588 707869549 /nfs/dbraw/zinc/86/95/49/707869549.db2.gz MGZRPDKHBYORMD-MRXNPFEDSA-N 2 1 332.448 1.644 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228588 707869551 /nfs/dbraw/zinc/86/95/51/707869551.db2.gz MGZRPDKHBYORMD-MRXNPFEDSA-N 2 1 332.448 1.644 20 0 EDADMP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)CC[C@@H]2C1 ZINC000946536692 707896763 /nfs/dbraw/zinc/89/67/63/707896763.db2.gz UTNSZHNISTURLP-FGTMMUONSA-N 2 1 337.508 1.534 20 0 EDADMP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536692 707896769 /nfs/dbraw/zinc/89/67/69/707896769.db2.gz UTNSZHNISTURLP-FGTMMUONSA-N 2 1 337.508 1.534 20 0 EDADMP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536692 707896774 /nfs/dbraw/zinc/89/67/74/707896774.db2.gz UTNSZHNISTURLP-FGTMMUONSA-N 2 1 337.508 1.534 20 0 EDADMP CC(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536692 707896778 /nfs/dbraw/zinc/89/67/78/707896778.db2.gz UTNSZHNISTURLP-FGTMMUONSA-N 2 1 337.508 1.534 20 0 EDADMP CC(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536692 707896780 /nfs/dbraw/zinc/89/67/80/707896780.db2.gz UTNSZHNISTURLP-FGTMMUONSA-N 2 1 337.508 1.534 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001033476936 707939046 /nfs/dbraw/zinc/93/90/46/707939046.db2.gz ZDFYGCVWGTZWGT-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1)OC ZINC001033473577 707962594 /nfs/dbraw/zinc/96/25/94/707962594.db2.gz BSYYTWJKXVZOEU-IRXDYDNUSA-N 2 1 325.497 1.676 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCCCCC2)C1 ZINC001032795266 708061393 /nfs/dbraw/zinc/06/13/93/708061393.db2.gz KPEOKACYPXWRDX-GBESFXJTSA-N 2 1 349.519 1.963 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCCCCC2)C1 ZINC001032795266 708061394 /nfs/dbraw/zinc/06/13/94/708061394.db2.gz KPEOKACYPXWRDX-GBESFXJTSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCCCC2)C1 ZINC001032795266 708061396 /nfs/dbraw/zinc/06/13/96/708061396.db2.gz KPEOKACYPXWRDX-GBESFXJTSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCCCCC2)C1 ZINC001032795266 708061399 /nfs/dbraw/zinc/06/13/99/708061399.db2.gz KPEOKACYPXWRDX-GBESFXJTSA-N 2 1 349.519 1.963 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001005185112 708112334 /nfs/dbraw/zinc/11/23/34/708112334.db2.gz PWUIBYIYZHNYQZ-ROUUACIJSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@H]1CC[C@@H](C[N@@H+]2CC=C(CNC(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC001001376940 708140855 /nfs/dbraw/zinc/14/08/55/708140855.db2.gz POKXCVIMENQOQF-RDJZCZTQSA-N 2 1 333.476 1.398 20 0 EDADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033583420 708268071 /nfs/dbraw/zinc/26/80/71/708268071.db2.gz VTKLAFWAJVYZEN-WMLDXEAASA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033583420 708268072 /nfs/dbraw/zinc/26/80/72/708268072.db2.gz VTKLAFWAJVYZEN-WMLDXEAASA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033583420 708268074 /nfs/dbraw/zinc/26/80/74/708268074.db2.gz VTKLAFWAJVYZEN-WMLDXEAASA-N 2 1 334.439 1.595 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033583420 708268075 /nfs/dbraw/zinc/26/80/75/708268075.db2.gz VTKLAFWAJVYZEN-WMLDXEAASA-N 2 1 334.439 1.595 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594842 708296612 /nfs/dbraw/zinc/29/66/12/708296612.db2.gz REYZXSGHDANMKV-OAHLLOKOSA-N 2 1 332.448 1.366 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594842 708296616 /nfs/dbraw/zinc/29/66/16/708296616.db2.gz REYZXSGHDANMKV-OAHLLOKOSA-N 2 1 332.448 1.366 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001033670202 708460170 /nfs/dbraw/zinc/46/01/70/708460170.db2.gz UPVZKXXCXSRLNQ-IRXDYDNUSA-N 2 1 334.464 1.683 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001033670202 708460173 /nfs/dbraw/zinc/46/01/73/708460173.db2.gz UPVZKXXCXSRLNQ-IRXDYDNUSA-N 2 1 334.464 1.683 20 0 EDADMP CN(C)c1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)c1 ZINC001033658824 708469885 /nfs/dbraw/zinc/46/98/85/708469885.db2.gz UWDQHYNLJXUQJE-LJQANCHMSA-N 2 1 344.503 1.881 20 0 EDADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033659143 708470175 /nfs/dbraw/zinc/47/01/75/708470175.db2.gz BRMYZJPSYXUYPD-SJLPKXTDSA-N 2 1 345.487 1.988 20 0 EDADMP COc1ccc(C)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033659143 708470177 /nfs/dbraw/zinc/47/01/77/708470177.db2.gz BRMYZJPSYXUYPD-SJLPKXTDSA-N 2 1 345.487 1.988 20 0 EDADMP COc1ccc(C)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033659143 708470179 /nfs/dbraw/zinc/47/01/79/708470179.db2.gz BRMYZJPSYXUYPD-SJLPKXTDSA-N 2 1 345.487 1.988 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CCC3CCOCC3)CC2)C1 ZINC001002125313 708640456 /nfs/dbraw/zinc/64/04/56/708640456.db2.gz IXNATTVMWNCLBB-GOSISDBHSA-N 2 1 337.508 1.583 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001002154586 708669316 /nfs/dbraw/zinc/66/93/16/708669316.db2.gz ARMSYESNSOCAFI-ROUUACIJSA-N 2 1 337.508 1.726 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000921884311 708787127 /nfs/dbraw/zinc/78/71/27/708787127.db2.gz UCCHPTGBACCZGS-ROUUACIJSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000921884311 708787130 /nfs/dbraw/zinc/78/71/30/708787130.db2.gz UCCHPTGBACCZGS-ROUUACIJSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000921884311 708787131 /nfs/dbraw/zinc/78/71/31/708787131.db2.gz UCCHPTGBACCZGS-ROUUACIJSA-N 2 1 346.475 1.147 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(Cc2nccc(C)n2)C1 ZINC001033833355 708858661 /nfs/dbraw/zinc/85/86/61/708858661.db2.gz GAUCBBYRTNNUPM-IXDOHACOSA-N 2 1 345.491 1.548 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001033835295 708862561 /nfs/dbraw/zinc/86/25/61/708862561.db2.gz XKUZIVPPXHIIJJ-KBAYOESNSA-N 2 1 347.507 1.492 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033835295 708862564 /nfs/dbraw/zinc/86/25/64/708862564.db2.gz XKUZIVPPXHIIJJ-KBAYOESNSA-N 2 1 347.507 1.492 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033835295 708862567 /nfs/dbraw/zinc/86/25/67/708862567.db2.gz XKUZIVPPXHIIJJ-KBAYOESNSA-N 2 1 347.507 1.492 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(Cc2ccns2)C1 ZINC001033838213 708867802 /nfs/dbraw/zinc/86/78/02/708867802.db2.gz MASFYONPDYSVSP-IJEWVQPXSA-N 2 1 336.505 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001033838213 708867805 /nfs/dbraw/zinc/86/78/05/708867805.db2.gz MASFYONPDYSVSP-IJEWVQPXSA-N 2 1 336.505 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001033838213 708867808 /nfs/dbraw/zinc/86/78/08/708867808.db2.gz MASFYONPDYSVSP-IJEWVQPXSA-N 2 1 336.505 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccns2)C1 ZINC001033838213 708867810 /nfs/dbraw/zinc/86/78/10/708867810.db2.gz MASFYONPDYSVSP-IJEWVQPXSA-N 2 1 336.505 1.906 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccns2)C1 ZINC001033838213 708867813 /nfs/dbraw/zinc/86/78/13/708867813.db2.gz MASFYONPDYSVSP-IJEWVQPXSA-N 2 1 336.505 1.906 20 0 EDADMP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001005395696 708876724 /nfs/dbraw/zinc/87/67/24/708876724.db2.gz BYRBCCCTLBZIBS-SFHVURJKSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033869600 708957116 /nfs/dbraw/zinc/95/71/16/708957116.db2.gz SBOIEMFXGYACFL-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033869600 708957119 /nfs/dbraw/zinc/95/71/19/708957119.db2.gz SBOIEMFXGYACFL-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001033869600 708957121 /nfs/dbraw/zinc/95/71/21/708957121.db2.gz SBOIEMFXGYACFL-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001033869600 708957123 /nfs/dbraw/zinc/95/71/23/708957123.db2.gz SBOIEMFXGYACFL-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001033895965 709013786 /nfs/dbraw/zinc/01/37/86/709013786.db2.gz FLBYPIWRDHKBBL-MRXNPFEDSA-N 2 1 343.431 1.450 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033904409 709032278 /nfs/dbraw/zinc/03/22/78/709032278.db2.gz GHUKXJMJAFLGOF-DHADLLTHSA-N 2 1 333.476 1.182 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033904409 709032281 /nfs/dbraw/zinc/03/22/81/709032281.db2.gz GHUKXJMJAFLGOF-DHADLLTHSA-N 2 1 333.476 1.182 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033904409 709032283 /nfs/dbraw/zinc/03/22/83/709032283.db2.gz GHUKXJMJAFLGOF-DHADLLTHSA-N 2 1 333.476 1.182 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1)OC ZINC001033939805 709145521 /nfs/dbraw/zinc/14/55/21/709145521.db2.gz COOYWMCQKHMETF-SJORKVTESA-N 2 1 325.497 1.676 20 0 EDADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033990877 709198106 /nfs/dbraw/zinc/19/81/06/709198106.db2.gz ZDNBXTNYNMKMAS-SFHVURJKSA-N 2 1 333.476 1.667 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC001034015502 709232068 /nfs/dbraw/zinc/23/20/68/709232068.db2.gz HOURARSOTIQMGC-CQSZACIVSA-N 2 1 334.489 1.662 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001034015502 709232071 /nfs/dbraw/zinc/23/20/71/709232071.db2.gz HOURARSOTIQMGC-CQSZACIVSA-N 2 1 334.489 1.662 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001034039185 709271845 /nfs/dbraw/zinc/27/18/45/709271845.db2.gz GGRJKZNRQFTWRA-MOPGFXCFSA-N 2 1 345.487 1.553 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001034039185 709271847 /nfs/dbraw/zinc/27/18/47/709271847.db2.gz GGRJKZNRQFTWRA-MOPGFXCFSA-N 2 1 345.487 1.553 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001034039185 709271850 /nfs/dbraw/zinc/27/18/50/709271850.db2.gz GGRJKZNRQFTWRA-MOPGFXCFSA-N 2 1 345.487 1.553 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2cnc(C)cn2)C1 ZINC001034040733 709288828 /nfs/dbraw/zinc/28/88/28/709288828.db2.gz WXEAQMXPTUBESV-NVXWUHKLSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001034040733 709288829 /nfs/dbraw/zinc/28/88/29/709288829.db2.gz WXEAQMXPTUBESV-NVXWUHKLSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001034040733 709288830 /nfs/dbraw/zinc/28/88/30/709288830.db2.gz WXEAQMXPTUBESV-NVXWUHKLSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001034040733 709288831 /nfs/dbraw/zinc/28/88/31/709288831.db2.gz WXEAQMXPTUBESV-NVXWUHKLSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001034040733 709288832 /nfs/dbraw/zinc/28/88/32/709288832.db2.gz WXEAQMXPTUBESV-NVXWUHKLSA-N 2 1 331.464 1.160 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001005504911 709334319 /nfs/dbraw/zinc/33/43/19/709334319.db2.gz VGGULHUHGMNFBX-NVXWUHKLSA-N 2 1 325.497 1.553 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001002790950 709398388 /nfs/dbraw/zinc/39/83/88/709398388.db2.gz CSWVKEANZLDPML-SJLPKXTDSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001002792007 709399829 /nfs/dbraw/zinc/39/98/29/709399829.db2.gz MCYYQXOOUBGYFP-QGZVFWFLSA-N 2 1 333.480 1.337 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001002793089 709401321 /nfs/dbraw/zinc/40/13/21/709401321.db2.gz RJGOEEKTYQVGBQ-QGZVFWFLSA-N 2 1 333.480 1.374 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001002793089 709401322 /nfs/dbraw/zinc/40/13/22/709401322.db2.gz RJGOEEKTYQVGBQ-QGZVFWFLSA-N 2 1 333.480 1.374 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1)C1CCC1 ZINC001032830300 709466834 /nfs/dbraw/zinc/46/68/34/709466834.db2.gz SXZVQKQHBMOKEA-LEUOFYLZSA-N 2 1 337.508 1.722 20 0 EDADMP CO[C@H](C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C1CCC1 ZINC001032830300 709466836 /nfs/dbraw/zinc/46/68/36/709466836.db2.gz SXZVQKQHBMOKEA-LEUOFYLZSA-N 2 1 337.508 1.722 20 0 EDADMP CO[C@H](C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C1CCC1 ZINC001032830300 709466837 /nfs/dbraw/zinc/46/68/37/709466837.db2.gz SXZVQKQHBMOKEA-LEUOFYLZSA-N 2 1 337.508 1.722 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cnoc3C)CC2)CC[N@H+]1C ZINC001002859926 709468364 /nfs/dbraw/zinc/46/83/64/709468364.db2.gz VEYQPKBZFBORHJ-DLBZAZTESA-N 2 1 334.464 1.794 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034204270 709526282 /nfs/dbraw/zinc/52/62/82/709526282.db2.gz LHNCCWLJQAYWER-QZTJIDSGSA-N 2 1 347.507 1.727 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCn2cccn2)C1 ZINC001034204270 709526286 /nfs/dbraw/zinc/52/62/86/709526286.db2.gz LHNCCWLJQAYWER-QZTJIDSGSA-N 2 1 347.507 1.727 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCn2cccn2)C1 ZINC001034204270 709526290 /nfs/dbraw/zinc/52/62/90/709526290.db2.gz LHNCCWLJQAYWER-QZTJIDSGSA-N 2 1 347.507 1.727 20 0 EDADMP Cn1cc(CC[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001034271478 709678520 /nfs/dbraw/zinc/67/85/20/709678520.db2.gz NNHNMEVOFAPNCQ-MSOLQXFVSA-N 2 1 347.507 1.418 20 0 EDADMP Cn1cc(CC[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001034271478 709678523 /nfs/dbraw/zinc/67/85/23/709678523.db2.gz NNHNMEVOFAPNCQ-MSOLQXFVSA-N 2 1 347.507 1.418 20 0 EDADMP Cn1cc(CC[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC001034271478 709678528 /nfs/dbraw/zinc/67/85/28/709678528.db2.gz NNHNMEVOFAPNCQ-MSOLQXFVSA-N 2 1 347.507 1.418 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](CCn2cncn2)CC1 ZINC001003011921 709783743 /nfs/dbraw/zinc/78/37/43/709783743.db2.gz UEJHANOZZPZAHF-QGZVFWFLSA-N 2 1 348.495 1.122 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1)CC2 ZINC001034365791 709888643 /nfs/dbraw/zinc/88/86/43/709888643.db2.gz URTWJXRGNUOSKW-JKSUJKDBSA-N 2 1 334.464 1.107 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1)CC2 ZINC001034365791 709888646 /nfs/dbraw/zinc/88/86/46/709888646.db2.gz URTWJXRGNUOSKW-JKSUJKDBSA-N 2 1 334.464 1.107 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CCc3ccnn3C)C2)C1 ZINC001034393884 709929144 /nfs/dbraw/zinc/92/91/44/709929144.db2.gz HHWNUAPCVVHEMU-IAGOWNOFSA-N 2 1 347.507 1.275 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CCc3ccnn3C)C2)C1 ZINC001034393884 709929146 /nfs/dbraw/zinc/92/91/46/709929146.db2.gz HHWNUAPCVVHEMU-IAGOWNOFSA-N 2 1 347.507 1.275 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CCc3ccnn3C)C2)C1 ZINC001034393884 709929149 /nfs/dbraw/zinc/92/91/49/709929149.db2.gz HHWNUAPCVVHEMU-IAGOWNOFSA-N 2 1 347.507 1.275 20 0 EDADMP COCC[N@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034397699 709938628 /nfs/dbraw/zinc/93/86/28/709938628.db2.gz KHNOQWMFQLYBNS-QAPCUYQASA-N 2 1 343.487 1.816 20 0 EDADMP COCC[NH+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034397699 709938629 /nfs/dbraw/zinc/93/86/29/709938629.db2.gz KHNOQWMFQLYBNS-QAPCUYQASA-N 2 1 343.487 1.816 20 0 EDADMP COCC[NH+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034397699 709938632 /nfs/dbraw/zinc/93/86/32/709938632.db2.gz KHNOQWMFQLYBNS-QAPCUYQASA-N 2 1 343.487 1.816 20 0 EDADMP C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445180 709989959 /nfs/dbraw/zinc/98/99/59/709989959.db2.gz QLDZJADUWQEPQQ-QAPCUYQASA-N 2 1 333.476 1.713 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)ncn1 ZINC001003158921 710066982 /nfs/dbraw/zinc/06/69/82/710066982.db2.gz JVZPZHIMTYTFBB-KRWDZBQOSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)ncn1 ZINC001003158921 710066986 /nfs/dbraw/zinc/06/69/86/710066986.db2.gz JVZPZHIMTYTFBB-KRWDZBQOSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034490674 710109546 /nfs/dbraw/zinc/10/95/46/710109546.db2.gz MPRNRGAEDJJUKL-IRXDYDNUSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034490674 710109549 /nfs/dbraw/zinc/10/95/49/710109549.db2.gz MPRNRGAEDJJUKL-IRXDYDNUSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490674 710109550 /nfs/dbraw/zinc/10/95/50/710109550.db2.gz MPRNRGAEDJJUKL-IRXDYDNUSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490674 710109553 /nfs/dbraw/zinc/10/95/53/710109553.db2.gz MPRNRGAEDJJUKL-IRXDYDNUSA-N 2 1 345.491 1.598 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CC[C@@H]2CCOC2)C1)C12CC[NH+](CC1)C2 ZINC001034490905 710110106 /nfs/dbraw/zinc/11/01/06/710110106.db2.gz NKIHIJOOSBFDKE-IAGOWNOFSA-N 2 1 335.492 1.480 20 0 EDADMP Cn1nccc1CC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034491020 710110685 /nfs/dbraw/zinc/11/06/85/710110685.db2.gz OVUSKCFUWXPFEE-SJORKVTESA-N 2 1 347.507 1.275 20 0 EDADMP Cn1nccc1CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034491020 710110686 /nfs/dbraw/zinc/11/06/86/710110686.db2.gz OVUSKCFUWXPFEE-SJORKVTESA-N 2 1 347.507 1.275 20 0 EDADMP Cn1nccc1CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034491020 710110687 /nfs/dbraw/zinc/11/06/87/710110687.db2.gz OVUSKCFUWXPFEE-SJORKVTESA-N 2 1 347.507 1.275 20 0 EDADMP Cn1cc(CC[N@H+]2CCCC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034491393 710111732 /nfs/dbraw/zinc/11/17/32/710111732.db2.gz UDOWQDXJHXKJQR-SJLPKXTDSA-N 2 1 347.507 1.275 20 0 EDADMP Cn1cc(CC[NH+]2CCCC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034491393 710111733 /nfs/dbraw/zinc/11/17/33/710111733.db2.gz UDOWQDXJHXKJQR-SJLPKXTDSA-N 2 1 347.507 1.275 20 0 EDADMP Cn1cc(CC[NH+]2CCCC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034491393 710111736 /nfs/dbraw/zinc/11/17/36/710111736.db2.gz UDOWQDXJHXKJQR-SJLPKXTDSA-N 2 1 347.507 1.275 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(c3cc(C)[nH+]c(C)n3)C2)CC[N@@H+]1C ZINC001061756721 710147285 /nfs/dbraw/zinc/14/72/85/710147285.db2.gz ACMGQYYJMCMDOE-YESZJQIVSA-N 2 1 345.491 1.766 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(c3cc(C)[nH+]c(C)n3)C2)CC[N@H+]1C ZINC001061756721 710147288 /nfs/dbraw/zinc/14/72/88/710147288.db2.gz ACMGQYYJMCMDOE-YESZJQIVSA-N 2 1 345.491 1.766 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001034527795 710181904 /nfs/dbraw/zinc/18/19/04/710181904.db2.gz IJMLCWHUFSMTEU-GOSISDBHSA-N 2 1 347.507 1.566 20 0 EDADMP CCN1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](C/C=C/Cl)C2)C1 ZINC001034534537 710205610 /nfs/dbraw/zinc/20/56/10/710205610.db2.gz MCDKKZDHPIPUPX-CJKAQPIMSA-N 2 1 329.872 1.430 20 0 EDADMP CCN1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](C/C=C/Cl)C2)C1 ZINC001034534537 710205614 /nfs/dbraw/zinc/20/56/14/710205614.db2.gz MCDKKZDHPIPUPX-CJKAQPIMSA-N 2 1 329.872 1.430 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2cncc(C)c2)CC1 ZINC001003311374 710240149 /nfs/dbraw/zinc/24/01/49/710240149.db2.gz DIMGZZJXRGLENS-UHFFFAOYSA-N 2 1 327.432 1.676 20 0 EDADMP O=C(NC1CC[NH+](CC2CCC2)CC1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001003333202 710257365 /nfs/dbraw/zinc/25/73/65/710257365.db2.gz PSEQECQDKVOWPL-RMXPPQQLSA-N 2 1 333.476 1.230 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034643512 710319680 /nfs/dbraw/zinc/31/96/80/710319680.db2.gz XJBCXSVKKGSFLJ-KZNAEPCWSA-N 2 1 347.507 1.810 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnnn3C)CC2)CC[N@H+]1C ZINC001034649594 710326182 /nfs/dbraw/zinc/32/61/82/710326182.db2.gz MAKZFDPLHIKPGI-NXNVCVFFSA-N 2 1 348.495 1.062 20 0 EDADMP CC[C@H](C)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001003482673 710376855 /nfs/dbraw/zinc/37/68/55/710376855.db2.gz BZBCOSCVWUMRIX-DOTOQJQBSA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@H](C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001003482673 710376857 /nfs/dbraw/zinc/37/68/57/710376857.db2.gz BZBCOSCVWUMRIX-DOTOQJQBSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001003627922 710457918 /nfs/dbraw/zinc/45/79/18/710457918.db2.gz JSFSCVXLPSXKTB-QGZVFWFLSA-N 2 1 345.487 1.988 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001003628432 710458084 /nfs/dbraw/zinc/45/80/84/710458084.db2.gz PNINWGVKKJYLBU-OAHLLOKOSA-N 2 1 333.480 1.028 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001003629034 710458832 /nfs/dbraw/zinc/45/88/32/710458832.db2.gz XBICJKKFMDQIAR-OAHLLOKOSA-N 2 1 333.480 1.028 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)nn1C ZINC001003632756 710461274 /nfs/dbraw/zinc/46/12/74/710461274.db2.gz CHLAGQMUUPKKAB-CXAGYDPISA-N 2 1 333.480 1.007 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)nn1C ZINC001003632756 710461276 /nfs/dbraw/zinc/46/12/76/710461276.db2.gz CHLAGQMUUPKKAB-CXAGYDPISA-N 2 1 333.480 1.007 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC001003634429 710462020 /nfs/dbraw/zinc/46/20/20/710462020.db2.gz KIBUEIRXFHSZDK-RHSMWYFYSA-N 2 1 346.475 1.369 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC001003634429 710462021 /nfs/dbraw/zinc/46/20/21/710462021.db2.gz KIBUEIRXFHSZDK-RHSMWYFYSA-N 2 1 346.475 1.369 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034659180 710588409 /nfs/dbraw/zinc/58/84/09/710588409.db2.gz OJDCVDYUKZEVIA-BQFCYCMXSA-N 2 1 347.507 1.812 20 0 EDADMP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1)C(N)=O ZINC001034661417 710592713 /nfs/dbraw/zinc/59/27/13/710592713.db2.gz OLAQPVKPZSDZDJ-TUVASFSCSA-N 2 1 347.463 1.041 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034674809 710625075 /nfs/dbraw/zinc/62/50/75/710625075.db2.gz SFMGPUFSJPQBGW-BZUAXINKSA-N 2 1 348.495 1.299 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccnn3C)CC2)C1 ZINC001034734581 710917033 /nfs/dbraw/zinc/91/70/33/710917033.db2.gz RSVXTYQHCGKVMW-BZUAXINKSA-N 2 1 333.480 1.279 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034736738 710924166 /nfs/dbraw/zinc/92/41/66/710924166.db2.gz AXQLDCQVYZZHKO-JKQORVJESA-N 2 1 333.480 1.135 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032967405 711027399 /nfs/dbraw/zinc/02/73/99/711027399.db2.gz IMCOQFYZSCJDQP-SJLPKXTDSA-N 2 1 331.460 1.822 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001032967405 711027402 /nfs/dbraw/zinc/02/74/02/711027402.db2.gz IMCOQFYZSCJDQP-SJLPKXTDSA-N 2 1 331.460 1.822 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001032967405 711027406 /nfs/dbraw/zinc/02/74/06/711027406.db2.gz IMCOQFYZSCJDQP-SJLPKXTDSA-N 2 1 331.460 1.822 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034775132 711048613 /nfs/dbraw/zinc/04/86/13/711048613.db2.gz GKYGQOSGUHUBRQ-BZUAXINKSA-N 2 1 338.496 1.143 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001034777949 711058008 /nfs/dbraw/zinc/05/80/08/711058008.db2.gz NGHFVEROFHUGLL-BPLDGKMQSA-N 2 1 347.463 1.552 20 0 EDADMP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034779436 711085739 /nfs/dbraw/zinc/08/57/39/711085739.db2.gz UZDMUEFIECFUBS-JYJNAYRXSA-N 2 1 333.480 1.279 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC001005712352 711097049 /nfs/dbraw/zinc/09/70/49/711097049.db2.gz CPANRXPQVXWDFO-NVXWUHKLSA-N 2 1 334.464 1.682 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001032980172 711104896 /nfs/dbraw/zinc/10/48/96/711104896.db2.gz KPNQCINLNDOBSZ-ROUUACIJSA-N 2 1 335.492 1.740 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001032980172 711104899 /nfs/dbraw/zinc/10/48/99/711104899.db2.gz KPNQCINLNDOBSZ-ROUUACIJSA-N 2 1 335.492 1.740 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001032980172 711104905 /nfs/dbraw/zinc/10/49/05/711104905.db2.gz KPNQCINLNDOBSZ-ROUUACIJSA-N 2 1 335.492 1.740 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001032980172 711104906 /nfs/dbraw/zinc/10/49/06/711104906.db2.gz KPNQCINLNDOBSZ-ROUUACIJSA-N 2 1 335.492 1.740 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]C[C@@H]2CCOC2)cc1 ZINC001034810280 711170516 /nfs/dbraw/zinc/17/05/16/711170516.db2.gz CULDYHRDMJDWAL-ROUUACIJSA-N 2 1 331.460 1.523 20 0 EDADMP Cc1nonc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001034958473 711431675 /nfs/dbraw/zinc/43/16/75/711431675.db2.gz INLWLOCMGSPBQH-JKSUJKDBSA-N 2 1 349.479 1.437 20 0 EDADMP Cc1nonc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001034958473 711431678 /nfs/dbraw/zinc/43/16/78/711431678.db2.gz INLWLOCMGSPBQH-JKSUJKDBSA-N 2 1 349.479 1.437 20 0 EDADMP CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000922386878 711448413 /nfs/dbraw/zinc/44/84/13/711448413.db2.gz JUGUDXAXBCBCLL-MLYOOKFZSA-N 2 1 345.487 1.616 20 0 EDADMP Cc1cncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001034971828 711451368 /nfs/dbraw/zinc/45/13/68/711451368.db2.gz WEYMDHNBWRXNBR-KBAYOESNSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1cncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001034971828 711451372 /nfs/dbraw/zinc/45/13/72/711451372.db2.gz WEYMDHNBWRXNBR-KBAYOESNSA-N 2 1 346.475 1.190 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)nc3)CC2)C1 ZINC001004142113 711542178 /nfs/dbraw/zinc/54/21/78/711542178.db2.gz HMSHWXRMXLCTHT-AWEZNQCLSA-N 2 1 336.867 1.767 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)nc3)CC2)C1 ZINC001004142113 711542181 /nfs/dbraw/zinc/54/21/81/711542181.db2.gz HMSHWXRMXLCTHT-AWEZNQCLSA-N 2 1 336.867 1.767 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC001004150700 711566356 /nfs/dbraw/zinc/56/63/56/711566356.db2.gz AOHUVTRIJXWWLG-UHFFFAOYSA-N 2 1 344.463 1.286 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033125925 711867834 /nfs/dbraw/zinc/86/78/34/711867834.db2.gz JDLJNVIHYYKLDP-IAGOWNOFSA-N 2 1 333.480 1.327 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033125925 711867835 /nfs/dbraw/zinc/86/78/35/711867835.db2.gz JDLJNVIHYYKLDP-IAGOWNOFSA-N 2 1 333.480 1.327 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033125925 711867838 /nfs/dbraw/zinc/86/78/38/711867838.db2.gz JDLJNVIHYYKLDP-IAGOWNOFSA-N 2 1 333.480 1.327 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033125925 711867842 /nfs/dbraw/zinc/86/78/42/711867842.db2.gz JDLJNVIHYYKLDP-IAGOWNOFSA-N 2 1 333.480 1.327 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2cc(C)no2)C1 ZINC001033126390 711889715 /nfs/dbraw/zinc/88/97/15/711889715.db2.gz MNLWTNPWILFLMJ-WBVHZDCISA-N 2 1 334.464 1.890 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnoc2C)C1 ZINC001033126902 711891526 /nfs/dbraw/zinc/89/15/26/711891526.db2.gz PNDRTBHVPGXDRU-DLBZAZTESA-N 2 1 334.464 1.890 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnoc2C)C1 ZINC001033126902 711891528 /nfs/dbraw/zinc/89/15/28/711891528.db2.gz PNDRTBHVPGXDRU-DLBZAZTESA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001033126902 711891530 /nfs/dbraw/zinc/89/15/30/711891530.db2.gz PNDRTBHVPGXDRU-DLBZAZTESA-N 2 1 334.464 1.890 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001033126902 711891532 /nfs/dbraw/zinc/89/15/32/711891532.db2.gz PNDRTBHVPGXDRU-DLBZAZTESA-N 2 1 334.464 1.890 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCO)CC2)CC[N@H+]1C ZINC001004523697 711924432 /nfs/dbraw/zinc/92/44/32/711924432.db2.gz UKBRAQDQCRJIMU-SZMVWBNQSA-N 2 1 337.508 1.412 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CCO)CC2)CC[NH+]1C ZINC001004523697 711924433 /nfs/dbraw/zinc/92/44/33/711924433.db2.gz UKBRAQDQCRJIMU-SZMVWBNQSA-N 2 1 337.508 1.412 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CCO)CC2)CC[NH+]1C ZINC001004523697 711924434 /nfs/dbraw/zinc/92/44/34/711924434.db2.gz UKBRAQDQCRJIMU-SZMVWBNQSA-N 2 1 337.508 1.412 20 0 EDADMP O=C([C@@H]1CCCc2nc[nH]c21)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004543427 711954224 /nfs/dbraw/zinc/95/42/24/711954224.db2.gz PGYSLLPJRRYNQQ-NVXWUHKLSA-N 2 1 346.475 1.525 20 0 EDADMP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001004601843 712024160 /nfs/dbraw/zinc/02/41/60/712024160.db2.gz QQZKHMFSHLIVKS-ICSRJNTNSA-N 2 1 349.519 1.822 20 0 EDADMP COCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001004601843 712024161 /nfs/dbraw/zinc/02/41/61/712024161.db2.gz QQZKHMFSHLIVKS-ICSRJNTNSA-N 2 1 349.519 1.822 20 0 EDADMP COCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001004601843 712024163 /nfs/dbraw/zinc/02/41/63/712024163.db2.gz QQZKHMFSHLIVKS-ICSRJNTNSA-N 2 1 349.519 1.822 20 0 EDADMP CN(C(=O)[C@@H]1CCCc2nccn21)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033151999 712144866 /nfs/dbraw/zinc/14/48/66/712144866.db2.gz NITAZEOTTYVFHZ-RDJZCZTQSA-N 2 1 346.475 1.862 20 0 EDADMP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033151999 712144869 /nfs/dbraw/zinc/14/48/69/712144869.db2.gz NITAZEOTTYVFHZ-RDJZCZTQSA-N 2 1 346.475 1.862 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](C)CC1 ZINC000558053840 306235408 /nfs/dbraw/zinc/23/54/08/306235408.db2.gz MPVRMKZXBPLQTQ-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](C)CC1 ZINC000558053840 306235409 /nfs/dbraw/zinc/23/54/09/306235409.db2.gz MPVRMKZXBPLQTQ-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](C)CC1 ZINC000558053840 306235410 /nfs/dbraw/zinc/23/54/10/306235410.db2.gz MPVRMKZXBPLQTQ-IEBWSBKVSA-N 2 1 344.503 1.403 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1C[C@H](F)CN1c1ccncn1 ZINC000348163532 282204626 /nfs/dbraw/zinc/20/46/26/282204626.db2.gz BOOCUQXEWKYMIM-JKSUJKDBSA-N 2 1 332.427 1.920 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1C[C@H](F)CN1c1ccncn1 ZINC000348163532 282204629 /nfs/dbraw/zinc/20/46/29/282204629.db2.gz BOOCUQXEWKYMIM-JKSUJKDBSA-N 2 1 332.427 1.920 20 0 EDADMP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352534986 282248872 /nfs/dbraw/zinc/24/88/72/282248872.db2.gz KVYXEWAZQWHVAQ-KRWDZBQOSA-N 2 1 340.475 1.364 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000246208947 534958173 /nfs/dbraw/zinc/95/81/73/534958173.db2.gz YKRNQQRGBPSWQF-ZIAGYGMSSA-N 2 1 325.478 1.717 20 0 EDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000560901573 306280797 /nfs/dbraw/zinc/28/07/97/306280797.db2.gz RAZOFWLAKNUMMV-GOEBONIOSA-N 2 1 325.478 1.036 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000560901573 306280798 /nfs/dbraw/zinc/28/07/98/306280798.db2.gz RAZOFWLAKNUMMV-GOEBONIOSA-N 2 1 325.478 1.036 20 0 EDADMP C[C@@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000561151725 306282889 /nfs/dbraw/zinc/28/28/89/306282889.db2.gz QQYRUDMLVGQNJL-JKSUJKDBSA-N 2 1 330.476 1.732 20 0 EDADMP C[NH+]1CCN(c2ncccc2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068466 539700446 /nfs/dbraw/zinc/70/04/46/539700446.db2.gz KTPAPHWINVBZDT-MSOLQXFVSA-N 2 1 329.492 1.550 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000342982581 539770028 /nfs/dbraw/zinc/77/00/28/539770028.db2.gz DMARAMJWMJLGQE-XHSDSOJGSA-N 2 1 340.512 1.164 20 0 EDADMP C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152559400 539820543 /nfs/dbraw/zinc/82/05/43/539820543.db2.gz YTZHHLYXZOGFRV-HOCLYGCPSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152559400 539820547 /nfs/dbraw/zinc/82/05/47/539820547.db2.gz YTZHHLYXZOGFRV-HOCLYGCPSA-N 2 1 326.485 1.221 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000353172112 539931568 /nfs/dbraw/zinc/93/15/68/539931568.db2.gz UFBRUKUBJNYFTP-FHWLQOOXSA-N 2 1 341.540 1.654 20 0 EDADMP C[C@H](NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000269173130 299202193 /nfs/dbraw/zinc/20/21/93/299202193.db2.gz GDSWHFOIODWOMK-QXAKKESOSA-N 2 1 344.503 1.479 20 0 EDADMP Cn1cc(-c2cc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)on2)cn1 ZINC000563153694 306320457 /nfs/dbraw/zinc/32/04/57/306320457.db2.gz CSVXXXVJHVOJIW-AWEZNQCLSA-N 2 1 331.420 1.262 20 0 EDADMP Cn1cc(-c2cc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)on2)cn1 ZINC000563153699 306320490 /nfs/dbraw/zinc/32/04/90/306320490.db2.gz CSVXXXVJHVOJIW-CQSZACIVSA-N 2 1 331.420 1.262 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@H+]1C ZINC000368152130 291035307 /nfs/dbraw/zinc/03/53/07/291035307.db2.gz MFNMSVHZNUDDPW-BQFCYCMXSA-N 2 1 336.524 1.344 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000368152130 291035309 /nfs/dbraw/zinc/03/53/09/291035309.db2.gz MFNMSVHZNUDDPW-BQFCYCMXSA-N 2 1 336.524 1.344 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000368152130 291035311 /nfs/dbraw/zinc/03/53/11/291035311.db2.gz MFNMSVHZNUDDPW-BQFCYCMXSA-N 2 1 336.524 1.344 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000368152130 291035313 /nfs/dbraw/zinc/03/53/13/291035313.db2.gz MFNMSVHZNUDDPW-BQFCYCMXSA-N 2 1 336.524 1.344 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000368152130 291035315 /nfs/dbraw/zinc/03/53/15/291035315.db2.gz MFNMSVHZNUDDPW-BQFCYCMXSA-N 2 1 336.524 1.344 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)[C@H]2C1 ZINC000418686943 283069315 /nfs/dbraw/zinc/06/93/15/283069315.db2.gz QDVZYSNAKRMMMI-XDNAFOTISA-N 2 1 328.460 1.478 20 0 EDADMP CC(=O)NC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000184957704 540146477 /nfs/dbraw/zinc/14/64/77/540146477.db2.gz MEWHALVRYBYTMB-SFHVURJKSA-N 2 1 346.475 1.006 20 0 EDADMP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000051957344 138136047 /nfs/dbraw/zinc/13/60/47/138136047.db2.gz BYKKRBHKPOASIG-IRXDYDNUSA-N 2 1 337.508 1.535 20 0 EDADMP C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958048 138136825 /nfs/dbraw/zinc/13/68/25/138136825.db2.gz LCJJZBXDENIQSM-FUHWJXTLSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000563539400 306338184 /nfs/dbraw/zinc/33/81/84/306338184.db2.gz QADKSVGXXDSBRN-AZUAARDMSA-N 3 1 348.510 1.968 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CCN(C[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000563539400 306338185 /nfs/dbraw/zinc/33/81/85/306338185.db2.gz QADKSVGXXDSBRN-AZUAARDMSA-N 2 1 348.510 1.968 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC000080603660 138264610 /nfs/dbraw/zinc/26/46/10/138264610.db2.gz QLOJQPPXFWMPRD-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H](CN1CCOCC1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000091509995 138284080 /nfs/dbraw/zinc/28/40/80/138284080.db2.gz RXAUYBDCBKDASJ-OTWHNJEPSA-N 2 1 338.540 1.198 20 0 EDADMP C[C@@H](CN1CCOCC1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000091509995 138284081 /nfs/dbraw/zinc/28/40/81/138284081.db2.gz RXAUYBDCBKDASJ-OTWHNJEPSA-N 2 1 338.540 1.198 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000563624945 306342618 /nfs/dbraw/zinc/34/26/18/306342618.db2.gz PCPPHLYAQXONSD-RCCFBDPRSA-N 2 1 328.460 1.504 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)C[NH+]1CCCC1 ZINC000370687340 295953904 /nfs/dbraw/zinc/95/39/04/295953904.db2.gz CIBALMSDXBHVHT-GVDBMIGSSA-N 2 1 338.496 1.223 20 0 EDADMP O=C(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC(=O)Nc1ccccc1 ZINC000564788337 306364780 /nfs/dbraw/zinc/36/47/80/306364780.db2.gz DLKNJAJOAKWMRO-SFHVURJKSA-N 2 1 330.432 1.800 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000565158085 306376593 /nfs/dbraw/zinc/37/65/93/306376593.db2.gz QNWMXCRUVUGKFZ-IRXDYDNUSA-N 2 1 343.475 1.964 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000565158085 306376594 /nfs/dbraw/zinc/37/65/94/306376594.db2.gz QNWMXCRUVUGKFZ-IRXDYDNUSA-N 2 1 343.475 1.964 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000565158085 306376595 /nfs/dbraw/zinc/37/65/95/306376595.db2.gz QNWMXCRUVUGKFZ-IRXDYDNUSA-N 2 1 343.475 1.964 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000565158085 306376596 /nfs/dbraw/zinc/37/65/96/306376596.db2.gz QNWMXCRUVUGKFZ-IRXDYDNUSA-N 2 1 343.475 1.964 20 0 EDADMP C[C@H](NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccn(C)n1 ZINC000414067054 304099668 /nfs/dbraw/zinc/09/96/68/304099668.db2.gz HPJYMJXMUXTWCM-INIZCTEOSA-N 2 1 328.464 1.678 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2c[nH]nc21 ZINC000078678783 201191985 /nfs/dbraw/zinc/19/19/85/201191985.db2.gz TZJDDBGRKFRMSL-UHFFFAOYSA-N 2 1 331.464 1.909 20 0 EDADMP CCC[C@H](C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000373167246 283766614 /nfs/dbraw/zinc/76/66/14/283766614.db2.gz PQRNXFTXNBQCIX-MWDXBVQZSA-N 2 1 325.497 1.817 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000414701682 304129769 /nfs/dbraw/zinc/12/97/69/304129769.db2.gz KNZWXVITVDMKRL-QLFBSQMISA-N 2 1 346.475 1.881 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000414701701 304129951 /nfs/dbraw/zinc/12/99/51/304129951.db2.gz KOOVEBYSVMEATK-LSDHHAIUSA-N 2 1 346.475 1.724 20 0 EDADMP C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414709667 304131348 /nfs/dbraw/zinc/13/13/48/304131348.db2.gz PCVVIYDIVKLKIY-LLVKDONJSA-N 2 1 329.366 1.733 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414714712 304131638 /nfs/dbraw/zinc/13/16/38/304131638.db2.gz XYTVQPNZFNGMGA-JKSUJKDBSA-N 2 1 339.505 1.593 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000414716643 304132135 /nfs/dbraw/zinc/13/21/35/304132135.db2.gz XKMAVMVEWOXZDR-HOTGVXAUSA-N 2 1 330.432 1.088 20 0 EDADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000414809217 304143545 /nfs/dbraw/zinc/14/35/45/304143545.db2.gz VBPGVSRNYVXMQQ-UHFFFAOYSA-N 2 1 341.883 1.878 20 0 EDADMP c1nc(N2CCOCC2)sc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415059866 304155597 /nfs/dbraw/zinc/15/55/97/304155597.db2.gz XREZSXRTINOSDB-GDBMZVCRSA-N 2 1 336.505 1.944 20 0 EDADMP c1nc(N2CCOCC2)sc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415059866 304155599 /nfs/dbraw/zinc/15/55/99/304155599.db2.gz XREZSXRTINOSDB-GDBMZVCRSA-N 2 1 336.505 1.944 20 0 EDADMP CC(C)(C)[NH2+]CCNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000415089654 304158514 /nfs/dbraw/zinc/15/85/14/304158514.db2.gz NXHORNMFSVOHSH-SFHVURJKSA-N 2 1 346.519 1.862 20 0 EDADMP Cn1ccnc1COc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415117274 304161365 /nfs/dbraw/zinc/16/13/65/304161365.db2.gz WVXPIBRHEMOLNY-KRWDZBQOSA-N 2 1 330.432 1.549 20 0 EDADMP Cn1ccnc1COc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415117274 304161367 /nfs/dbraw/zinc/16/13/67/304161367.db2.gz WVXPIBRHEMOLNY-KRWDZBQOSA-N 2 1 330.432 1.549 20 0 EDADMP COc1cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc2c1OCO2 ZINC000415119967 304161252 /nfs/dbraw/zinc/16/12/52/304161252.db2.gz FOWXGMWGSRXWLI-AWEZNQCLSA-N 2 1 345.403 1.311 20 0 EDADMP COc1cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc2c1OCO2 ZINC000415119967 304161254 /nfs/dbraw/zinc/16/12/54/304161254.db2.gz FOWXGMWGSRXWLI-AWEZNQCLSA-N 2 1 345.403 1.311 20 0 EDADMP Cn1c(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)nc2ccccc21 ZINC000415138290 304163490 /nfs/dbraw/zinc/16/34/90/304163490.db2.gz KEEDIBYZECOOHK-PBHICJAKSA-N 2 1 326.444 1.774 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000195250660 139011403 /nfs/dbraw/zinc/01/14/03/139011403.db2.gz DJQDGPXIJCAWOJ-UHFFFAOYSA-N 2 1 347.507 1.480 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000362563818 296185705 /nfs/dbraw/zinc/18/57/05/296185705.db2.gz CWWQGZSGTUOZIH-LSDHHAIUSA-N 2 1 331.464 1.435 20 0 EDADMP COCC[NH2+]CC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237202606 139044217 /nfs/dbraw/zinc/04/42/17/139044217.db2.gz MOADUXOHMAFJFG-IYBDPMFKSA-N 2 1 349.475 1.148 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)CC1 ZINC000237209791 139044367 /nfs/dbraw/zinc/04/43/67/139044367.db2.gz YCOIXURSJZYGSQ-UHFFFAOYSA-N 2 1 346.475 1.251 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCC(C[NH3+])CC3)cc2)CC1 ZINC000237212998 139044412 /nfs/dbraw/zinc/04/44/12/139044412.db2.gz PTTLVDPMBTZYSM-UHFFFAOYSA-N 2 1 330.476 1.245 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415194114 304173475 /nfs/dbraw/zinc/17/34/75/304173475.db2.gz KZTDDQIUWPDTDH-INIZCTEOSA-N 2 1 344.459 1.465 20 0 EDADMP C[C@]1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000237554341 139054017 /nfs/dbraw/zinc/05/40/17/139054017.db2.gz XTLUSQJQUOKKMH-SFHVURJKSA-N 2 1 334.439 1.064 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000237606631 139055398 /nfs/dbraw/zinc/05/53/98/139055398.db2.gz ZZTOWLLPNWPMTB-CALCHBBNSA-N 2 1 336.524 1.665 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000111581680 220166337 /nfs/dbraw/zinc/16/63/37/220166337.db2.gz PNPZJYSKBHRDMF-IBGZPJMESA-N 2 1 344.503 1.799 20 0 EDADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415248131 304178624 /nfs/dbraw/zinc/17/86/24/304178624.db2.gz BUJCBRKUXYKCDN-MRXNPFEDSA-N 2 1 332.448 1.287 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415248131 304178626 /nfs/dbraw/zinc/17/86/26/304178626.db2.gz BUJCBRKUXYKCDN-MRXNPFEDSA-N 2 1 332.448 1.287 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000155666816 206025561 /nfs/dbraw/zinc/02/55/61/206025561.db2.gz LQZNYNSJMWJEHW-DAYGRLMNSA-N 2 1 333.476 1.897 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000155666816 206025564 /nfs/dbraw/zinc/02/55/64/206025564.db2.gz LQZNYNSJMWJEHW-DAYGRLMNSA-N 2 1 333.476 1.897 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000245767214 139085800 /nfs/dbraw/zinc/08/58/00/139085800.db2.gz QZGHLOABWREZOV-FUHWJXTLSA-N 2 1 346.523 1.391 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000245767214 139085801 /nfs/dbraw/zinc/08/58/01/139085801.db2.gz QZGHLOABWREZOV-FUHWJXTLSA-N 2 1 346.523 1.391 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000246468025 139109643 /nfs/dbraw/zinc/10/96/43/139109643.db2.gz VGDFFQKXOOTJGB-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000246468025 139109644 /nfs/dbraw/zinc/10/96/44/139109644.db2.gz VGDFFQKXOOTJGB-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000247283614 139143607 /nfs/dbraw/zinc/14/36/07/139143607.db2.gz SKISEHDVEXETKG-DLBZAZTESA-N 2 1 342.528 1.763 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NCC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000247283614 139143608 /nfs/dbraw/zinc/14/36/08/139143608.db2.gz SKISEHDVEXETKG-DLBZAZTESA-N 2 1 342.528 1.763 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000247283614 139143609 /nfs/dbraw/zinc/14/36/09/139143609.db2.gz SKISEHDVEXETKG-DLBZAZTESA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(-n2cnnn2)cc1 ZINC000248012242 139157105 /nfs/dbraw/zinc/15/71/05/139157105.db2.gz LJFJZCGWQUREDN-QAPCUYQASA-N 2 1 344.463 1.550 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000410592782 250351086 /nfs/dbraw/zinc/35/10/86/250351086.db2.gz QYTCIQLVRDOANR-UHFFFAOYSA-N 2 1 347.463 1.058 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@H]3CCC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000249833950 139199189 /nfs/dbraw/zinc/19/91/89/139199189.db2.gz QMYAKGBSRXATRX-FCEWJHQRSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)c2)C[C@@H](C)O1 ZINC000261602542 139209684 /nfs/dbraw/zinc/20/96/84/139209684.db2.gz ACMRCFVEBXXBCE-DTDBQYNISA-N 2 1 347.459 1.741 20 0 EDADMP CN(C(=O)COC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261546571 139208829 /nfs/dbraw/zinc/20/88/29/139208829.db2.gz HASMAQPPSITWAE-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000261628064 139212684 /nfs/dbraw/zinc/21/26/84/139212684.db2.gz HBFHNGFLQCMUMM-CQSZACIVSA-N 2 1 330.407 1.661 20 0 EDADMP COc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261645242 139214082 /nfs/dbraw/zinc/21/40/82/139214082.db2.gz IZOIHURTUKIRPM-WMZOPIPTSA-N 2 1 331.460 1.775 20 0 EDADMP COc1ccccc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261723691 139220641 /nfs/dbraw/zinc/22/06/41/139220641.db2.gz RADBFPPXDDTNQY-WBVHZDCISA-N 2 1 331.460 1.775 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(OC)c1OC ZINC000261749953 139222966 /nfs/dbraw/zinc/22/29/66/139222966.db2.gz URHVTTSSBBUQGX-OAHLLOKOSA-N 2 1 335.448 1.192 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261793023 139226488 /nfs/dbraw/zinc/22/64/88/139226488.db2.gz NSLLOXQVAVMDBP-DNVCBOLYSA-N 2 1 346.475 1.100 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261793023 139226489 /nfs/dbraw/zinc/22/64/89/139226489.db2.gz NSLLOXQVAVMDBP-DNVCBOLYSA-N 2 1 346.475 1.100 20 0 EDADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261894413 139234819 /nfs/dbraw/zinc/23/48/19/139234819.db2.gz GYXCLKFTGKBBDP-KBUPBQIOSA-N 2 1 335.414 1.617 20 0 EDADMP O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262031922 139245239 /nfs/dbraw/zinc/24/52/39/139245239.db2.gz XQIAVAKWNAUKRX-BBWFWOEESA-N 2 1 347.459 1.631 20 0 EDADMP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c(C(F)(F)F)n1 ZINC000262035032 139245512 /nfs/dbraw/zinc/24/55/12/139245512.db2.gz XWKGENFBOWKZII-YNEHKIRRSA-N 2 1 332.370 1.686 20 0 EDADMP Fc1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000262065391 139247851 /nfs/dbraw/zinc/24/78/51/139247851.db2.gz AZPVQDJUIKSUHK-ZDUSSCGKSA-N 2 1 329.366 1.907 20 0 EDADMP COc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc(OC)c1 ZINC000262141090 139254529 /nfs/dbraw/zinc/25/45/29/139254529.db2.gz ZCHSFKBGALTYDY-HNNXBMFYSA-N 2 1 335.448 1.523 20 0 EDADMP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262203655 139259541 /nfs/dbraw/zinc/25/95/41/139259541.db2.gz DJPBDBNCKNAJIS-KBPBESRZSA-N 2 1 345.365 1.370 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416831298 251112543 /nfs/dbraw/zinc/11/25/43/251112543.db2.gz AVMCBPNDPASFIY-AEFFLSMTSA-N 2 1 328.460 1.797 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000364989029 284881044 /nfs/dbraw/zinc/88/10/44/284881044.db2.gz YZCBOSNTBPPKHZ-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1ccc(F)cc1 ZINC000417171473 251144263 /nfs/dbraw/zinc/14/42/63/251144263.db2.gz JRUMRCZXESIIPJ-DOTOQJQBSA-N 2 1 340.418 1.771 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000417222833 251147943 /nfs/dbraw/zinc/14/79/43/251147943.db2.gz QUMIUPZMUWKFMB-BGTYHANMSA-N 2 1 328.460 1.825 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417610924 251204739 /nfs/dbraw/zinc/20/47/39/251204739.db2.gz OHCIDXSLMBLMKC-OAHLLOKOSA-N 2 1 326.510 1.209 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417608461 251204815 /nfs/dbraw/zinc/20/48/15/251204815.db2.gz ISPDBEBTBGATPY-LSDHHAIUSA-N 2 1 326.510 1.066 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)[C@@H](C)C1 ZINC000417667836 251221131 /nfs/dbraw/zinc/22/11/31/251221131.db2.gz HPEHEILUNDCSQY-QAETUUGQSA-N 2 1 340.512 1.502 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@H]1C[NH3+] ZINC000417727350 251244624 /nfs/dbraw/zinc/24/46/24/251244624.db2.gz JBUHNBQHOJMKCA-WMZOPIPTSA-N 2 1 345.491 1.330 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000417847032 251295503 /nfs/dbraw/zinc/29/55/03/251295503.db2.gz UNVVJCFOBJBJTC-KBAYOESNSA-N 2 1 346.475 1.409 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000417815341 251280171 /nfs/dbraw/zinc/28/01/71/251280171.db2.gz BWJSUFJGMIJSRF-NUJGCVRESA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000262503208 139282897 /nfs/dbraw/zinc/28/28/97/139282897.db2.gz AOEWPFCZJAWEDR-GJZGRUSLSA-N 2 1 334.464 1.235 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418108181 251324419 /nfs/dbraw/zinc/32/44/19/251324419.db2.gz AOJGHPVTSQPPIS-HZPDHXFCSA-N 2 1 340.512 1.565 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418111120 251326922 /nfs/dbraw/zinc/32/69/22/251326922.db2.gz XHTCGQKQKWSQPQ-MJGOQNOKSA-N 2 1 348.466 1.852 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418111120 251326924 /nfs/dbraw/zinc/32/69/24/251326924.db2.gz XHTCGQKQKWSQPQ-MJGOQNOKSA-N 2 1 348.466 1.852 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NCC2([NH3+])CCCCCC2)CCCO1 ZINC000418112141 251327321 /nfs/dbraw/zinc/32/73/21/251327321.db2.gz HVMRKRMJEMJNEV-INIZCTEOSA-N 2 1 340.512 1.838 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N[C@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418114315 251329661 /nfs/dbraw/zinc/32/96/61/251329661.db2.gz LNXPNDJFZUMLSA-GOEBONIOSA-N 2 1 326.485 1.304 20 0 EDADMP C[C@@H]1C[NH+](CC2CCN(C(=O)NCC(F)(F)C[NH3+])CC2)C[C@@H](C)O1 ZINC000418525639 251375249 /nfs/dbraw/zinc/37/52/49/251375249.db2.gz PLUHLCFRBUAXOS-CHWSQXEVSA-N 2 1 348.438 1.111 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]([NH3+])C1CC1)C1CC1 ZINC000418151502 251346329 /nfs/dbraw/zinc/34/63/29/251346329.db2.gz STIRIPHXUGYQDI-ZWKOTPCHSA-N 2 1 330.476 1.934 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000262534936 139284920 /nfs/dbraw/zinc/28/49/20/139284920.db2.gz QFOZMALGQMKHTP-ZFWWWQNUSA-N 2 1 325.478 1.496 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000262534936 139284921 /nfs/dbraw/zinc/28/49/21/139284921.db2.gz QFOZMALGQMKHTP-ZFWWWQNUSA-N 2 1 325.478 1.496 20 0 EDADMP [NH3+]C[C@H](NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)C1CCCCC1 ZINC000418384467 251364091 /nfs/dbraw/zinc/36/40/91/251364091.db2.gz ONCILGNOFFXLNN-HOTGVXAUSA-N 2 1 326.485 1.040 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418722350 251396589 /nfs/dbraw/zinc/39/65/89/251396589.db2.gz MTSNDKIHRAGWCT-HZPDHXFCSA-N 2 1 339.528 1.219 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418721336 251397223 /nfs/dbraw/zinc/39/72/23/251397223.db2.gz WUASBTUJVTUILU-STQMWFEESA-N 2 1 342.390 1.334 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCC[C@H]1CC[NH2+]C1 ZINC000262573998 139287620 /nfs/dbraw/zinc/28/76/20/139287620.db2.gz IOGXNMJTGURQDS-AEFFLSMTSA-N 2 1 331.460 1.393 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[C@H]1CC[NH2+]C1 ZINC000262573998 139287621 /nfs/dbraw/zinc/28/76/21/139287621.db2.gz IOGXNMJTGURQDS-AEFFLSMTSA-N 2 1 331.460 1.393 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418680355 251384715 /nfs/dbraw/zinc/38/47/15/251384715.db2.gz FZIOQEFFQSOQQV-KSZLIROESA-N 2 1 330.476 1.724 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418687081 251385520 /nfs/dbraw/zinc/38/55/20/251385520.db2.gz LHETXLKGJKPYPH-BPQIPLTHSA-N 2 1 348.491 1.296 20 0 EDADMP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000177293234 207316599 /nfs/dbraw/zinc/31/65/99/207316599.db2.gz DUSBYTLBZBEAAD-UHFFFAOYSA-N 2 1 339.505 1.698 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000423783128 252071744 /nfs/dbraw/zinc/07/17/44/252071744.db2.gz JJAKJAPAGGJBOX-HUUCEWRRSA-N 2 1 339.480 1.108 20 0 EDADMP [NH3+]C1(CNC(=O)CC[C@@H]2CC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000424024295 252118032 /nfs/dbraw/zinc/11/80/32/252118032.db2.gz WWVVUTLGBASROM-QGZVFWFLSA-N 2 1 344.503 1.486 20 0 EDADMP CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)[C@@H](C)[NH3+] ZINC000423791140 252075633 /nfs/dbraw/zinc/07/56/33/252075633.db2.gz GYDNUUWLQHMGBF-NXHRZFHOSA-N 2 1 332.492 1.981 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000423801327 252081624 /nfs/dbraw/zinc/08/16/24/252081624.db2.gz SUUOFCFXARXVEQ-KURKYZTESA-N 2 1 330.476 1.750 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262917170 139312667 /nfs/dbraw/zinc/31/26/67/139312667.db2.gz ZBFSCCYRPSHSCN-UKRRQHHQSA-N 2 1 332.448 1.450 20 0 EDADMP [NH3+][C@@H](CCC(=O)NCC[N@H+]1CCCOCC1)CC1CCCCC1 ZINC000424179236 252155130 /nfs/dbraw/zinc/15/51/30/252155130.db2.gz YMCXLKIWDDVAMO-KRWDZBQOSA-N 2 1 325.497 1.903 20 0 EDADMP COC(=O)CC1CC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000424321578 252196515 /nfs/dbraw/zinc/19/65/15/252196515.db2.gz UOJRMCSLTUTKHC-FAFZWHIHSA-N 2 1 332.444 1.555 20 0 EDADMP COC(=O)CC1CC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000424321578 252196522 /nfs/dbraw/zinc/19/65/22/252196522.db2.gz UOJRMCSLTUTKHC-FAFZWHIHSA-N 2 1 332.444 1.555 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424471086 252241904 /nfs/dbraw/zinc/24/19/04/252241904.db2.gz CIFAMRKITYFUEL-LSDHHAIUSA-N 2 1 338.402 1.496 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424471086 252241907 /nfs/dbraw/zinc/24/19/07/252241907.db2.gz CIFAMRKITYFUEL-LSDHHAIUSA-N 2 1 338.402 1.496 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000111826846 285035365 /nfs/dbraw/zinc/03/53/65/285035365.db2.gz VYHDVVBVXKRRPW-HOTGVXAUSA-N 2 1 328.501 1.373 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[NH+]4CCC3CC4)CC2)CC1 ZINC000570056658 306529287 /nfs/dbraw/zinc/52/92/87/306529287.db2.gz VYSCGPYRWAEYLM-UHFFFAOYSA-N 3 1 348.535 1.489 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCSC3)CC2)C1 ZINC000369666526 155132005 /nfs/dbraw/zinc/13/20/05/155132005.db2.gz WQLCPNWTEYONCP-SJORKVTESA-N 2 1 327.538 1.466 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354985841 285193585 /nfs/dbraw/zinc/19/35/85/285193585.db2.gz UBXYOEWHIHTCRG-FUHWJXTLSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@@H+](CCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000263746769 139357426 /nfs/dbraw/zinc/35/74/26/139357426.db2.gz PDQDJSVVPIMEDX-UHFFFAOYSA-N 2 1 348.491 1.911 20 0 EDADMP C[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000488746372 255052332 /nfs/dbraw/zinc/05/23/32/255052332.db2.gz FWPCRHNPOGYHBC-VQIMIIECSA-N 2 1 345.487 1.601 20 0 EDADMP C[NH+](C)C/C=C\C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000491645528 255136761 /nfs/dbraw/zinc/13/67/61/255136761.db2.gz SAXDKOMMRAIPQU-GEZBDVBVSA-N 2 1 330.432 1.193 20 0 EDADMP C[NH+](C)C/C=C\C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000491645528 255136762 /nfs/dbraw/zinc/13/67/62/255136762.db2.gz SAXDKOMMRAIPQU-GEZBDVBVSA-N 2 1 330.432 1.193 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000493969613 255228799 /nfs/dbraw/zinc/22/87/99/255228799.db2.gz OSVDMHMNKWWDSQ-CHWSQXEVSA-N 2 1 345.447 1.359 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000415906724 304284804 /nfs/dbraw/zinc/28/48/04/304284804.db2.gz LMAAXUILUHPXQP-OAHLLOKOSA-N 2 1 334.464 1.886 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC000416055415 304287650 /nfs/dbraw/zinc/28/76/50/304287650.db2.gz XHBJZTRRVMWCTM-WCQYABFASA-N 2 1 336.402 1.782 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CCSC3)CC2)C1 ZINC000369666525 155132081 /nfs/dbraw/zinc/13/20/81/155132081.db2.gz WQLCPNWTEYONCP-IRXDYDNUSA-N 2 1 327.538 1.466 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000270848702 140182185 /nfs/dbraw/zinc/18/21/85/140182185.db2.gz LPBBEMBSUMOUOY-RCCFBDPRSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000270848702 140182187 /nfs/dbraw/zinc/18/21/87/140182187.db2.gz LPBBEMBSUMOUOY-RCCFBDPRSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000270848702 140182188 /nfs/dbraw/zinc/18/21/88/140182188.db2.gz LPBBEMBSUMOUOY-RCCFBDPRSA-N 2 1 331.460 1.080 20 0 EDADMP Cc1cc(C2CC[NH+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)n[nH]1 ZINC000331930947 141099631 /nfs/dbraw/zinc/09/96/31/141099631.db2.gz LEIWWGNYGBWALG-UHFFFAOYSA-N 2 1 347.507 1.887 20 0 EDADMP Cc1cc(C2CC[NH+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)[nH]n1 ZINC000331930947 141099632 /nfs/dbraw/zinc/09/96/32/141099632.db2.gz LEIWWGNYGBWALG-UHFFFAOYSA-N 2 1 347.507 1.887 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N3CCC[C@@H]([NH3+])C3)CC2)nc(C)[nH+]1 ZINC000332558665 141202873 /nfs/dbraw/zinc/20/28/73/141202873.db2.gz TVFJWTHEUPTGNH-CQSZACIVSA-N 2 1 332.452 1.195 20 0 EDADMP Cc1cc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cn2cc[nH+]c12 ZINC000333460318 141320820 /nfs/dbraw/zinc/32/08/20/141320820.db2.gz GJDHJKJNTGOWEW-LSDHHAIUSA-N 2 1 339.403 1.335 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000333466034 141321644 /nfs/dbraw/zinc/32/16/44/141321644.db2.gz ZYBYKALJMJYYSP-FPCVCCKLSA-N 2 1 340.512 1.562 20 0 EDADMP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000333471214 141322684 /nfs/dbraw/zinc/32/26/84/141322684.db2.gz ASXPRBMMAVBGKX-GOEBONIOSA-N 2 1 329.510 1.312 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000333491257 141325852 /nfs/dbraw/zinc/32/58/52/141325852.db2.gz DJVSMKODRJSHHM-JJTUDDRGSA-N 2 1 338.496 1.397 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000333491257 141325854 /nfs/dbraw/zinc/32/58/54/141325854.db2.gz DJVSMKODRJSHHM-JJTUDDRGSA-N 2 1 338.496 1.397 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000333701175 141361117 /nfs/dbraw/zinc/36/11/17/141361117.db2.gz HDTQTNUNIVNAMI-UHFFFAOYSA-N 2 1 344.463 1.825 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000339349162 142024275 /nfs/dbraw/zinc/02/42/75/142024275.db2.gz MZJAGTLYRZQDRG-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H](C(=O)N1CCN(CC[NH+](C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000346101217 143167733 /nfs/dbraw/zinc/16/77/33/143167733.db2.gz CHCXMBUGKUJCPE-KRWDZBQOSA-N 2 1 344.503 1.139 20 0 EDADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)CCO3)C2)C1 ZINC000346301754 143189030 /nfs/dbraw/zinc/18/90/30/143189030.db2.gz VWYVTMNLOJPIPO-AZUAARDMSA-N 2 1 343.471 1.442 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)CCO3)C2)C1 ZINC000346301754 143189031 /nfs/dbraw/zinc/18/90/31/143189031.db2.gz VWYVTMNLOJPIPO-AZUAARDMSA-N 2 1 343.471 1.442 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)C1 ZINC000346301754 143189032 /nfs/dbraw/zinc/18/90/32/143189032.db2.gz VWYVTMNLOJPIPO-AZUAARDMSA-N 2 1 343.471 1.442 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)C1 ZINC000346301754 143189033 /nfs/dbraw/zinc/18/90/33/143189033.db2.gz VWYVTMNLOJPIPO-AZUAARDMSA-N 2 1 343.471 1.442 20 0 EDADMP COc1ccsc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346645533 143225677 /nfs/dbraw/zinc/22/56/77/143225677.db2.gz DTURTFVXGUXEMQ-KBPBESRZSA-N 2 1 337.489 1.837 20 0 EDADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347105774 143283269 /nfs/dbraw/zinc/28/32/69/143283269.db2.gz NHKCNTWZMVWUCL-OAHLLOKOSA-N 2 1 335.496 1.542 20 0 EDADMP CCCOc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1OC ZINC000347120139 143284882 /nfs/dbraw/zinc/28/48/82/143284882.db2.gz VNVRUKALGMQAPR-INIZCTEOSA-N 2 1 349.475 1.771 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000347139970 143286687 /nfs/dbraw/zinc/28/66/87/143286687.db2.gz VRJRELYJJKBXHF-QGZVFWFLSA-N 2 1 341.459 1.218 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000347139970 143286688 /nfs/dbraw/zinc/28/66/88/143286688.db2.gz VRJRELYJJKBXHF-QGZVFWFLSA-N 2 1 341.459 1.218 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000348009309 143390822 /nfs/dbraw/zinc/39/08/22/143390822.db2.gz XWHTVKJOTRGGQY-SJORKVTESA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000348009309 143390823 /nfs/dbraw/zinc/39/08/23/143390823.db2.gz XWHTVKJOTRGGQY-SJORKVTESA-N 2 1 338.496 1.365 20 0 EDADMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000348074671 143397821 /nfs/dbraw/zinc/39/78/21/143397821.db2.gz MHNHBEKXJXOWLZ-DOTOQJQBSA-N 2 1 336.480 1.835 20 0 EDADMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000348074671 143397822 /nfs/dbraw/zinc/39/78/22/143397822.db2.gz MHNHBEKXJXOWLZ-DOTOQJQBSA-N 2 1 336.480 1.835 20 0 EDADMP Cn1nccc1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348080324 143398445 /nfs/dbraw/zinc/39/84/45/143398445.db2.gz HZGLFMURZUAWRU-XYJFISCASA-N 2 1 337.487 1.749 20 0 EDADMP Cn1nccc1CN1C[C@@H](F)C[C@@H]1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348080324 143398446 /nfs/dbraw/zinc/39/84/46/143398446.db2.gz HZGLFMURZUAWRU-XYJFISCASA-N 2 1 337.487 1.749 20 0 EDADMP Cn1nccc1CN1C[C@@H](F)C[C@@H]1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348080324 143398447 /nfs/dbraw/zinc/39/84/47/143398447.db2.gz HZGLFMURZUAWRU-XYJFISCASA-N 2 1 337.487 1.749 20 0 EDADMP CCCCOC(=O)CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369766809 155169586 /nfs/dbraw/zinc/16/95/86/155169586.db2.gz ODNWTTHPLTUGRT-IRXDYDNUSA-N 2 1 325.497 1.678 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1[C@H]1CCC[NH+]1C ZINC000369795968 155180438 /nfs/dbraw/zinc/18/04/38/155180438.db2.gz VPYBQJRHQGQOIM-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000369795968 155180441 /nfs/dbraw/zinc/18/04/41/155180441.db2.gz VPYBQJRHQGQOIM-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000369795968 155180445 /nfs/dbraw/zinc/18/04/45/155180445.db2.gz VPYBQJRHQGQOIM-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP COC[C@@]1(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000416846836 304351781 /nfs/dbraw/zinc/35/17/81/304351781.db2.gz UQDJZNNAWPFWCH-MJGOQNOKSA-N 2 1 346.475 1.329 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C)[C@@H](C)C1 ZINC000356084041 286058071 /nfs/dbraw/zinc/05/80/71/286058071.db2.gz DFGDNNHKRZZGST-JKSUJKDBSA-N 2 1 328.501 1.326 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000417666390 286060548 /nfs/dbraw/zinc/06/05/48/286060548.db2.gz CRIGRHLNLCEKFQ-PMPSAXMXSA-N 2 1 328.501 1.278 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337080976 286069680 /nfs/dbraw/zinc/06/96/80/286069680.db2.gz WBWQGIUMXMILFU-SZMVWBNQSA-N 2 1 333.476 1.592 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337080976 286069681 /nfs/dbraw/zinc/06/96/81/286069681.db2.gz WBWQGIUMXMILFU-SZMVWBNQSA-N 2 1 333.476 1.592 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000352751246 149148967 /nfs/dbraw/zinc/14/89/67/149148967.db2.gz HKDBCZUYKKSZCT-FHLIZLRMSA-N 2 1 338.879 1.803 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000352751246 149148969 /nfs/dbraw/zinc/14/89/69/149148969.db2.gz HKDBCZUYKKSZCT-FHLIZLRMSA-N 2 1 338.879 1.803 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000352751246 149148970 /nfs/dbraw/zinc/14/89/70/149148970.db2.gz HKDBCZUYKKSZCT-FHLIZLRMSA-N 2 1 338.879 1.803 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000352751246 149148973 /nfs/dbraw/zinc/14/89/73/149148973.db2.gz HKDBCZUYKKSZCT-FHLIZLRMSA-N 2 1 338.879 1.803 20 0 EDADMP CCC[C@@]1([NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC000352815636 149177927 /nfs/dbraw/zinc/17/79/27/149177927.db2.gz KXCLNLSTZBDCRP-SJLPKXTDSA-N 2 1 341.496 1.008 20 0 EDADMP CCC[C@]1([NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC000352815637 149178247 /nfs/dbraw/zinc/17/82/47/149178247.db2.gz KXCLNLSTZBDCRP-WMZOPIPTSA-N 2 1 341.496 1.008 20 0 EDADMP C[NH+](C)CCOc1ccc(CNC(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000353245653 149338019 /nfs/dbraw/zinc/33/80/19/149338019.db2.gz UGPGTAXUAODRFQ-UHFFFAOYSA-N 2 1 346.475 1.688 20 0 EDADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC000353318300 149363241 /nfs/dbraw/zinc/36/32/41/149363241.db2.gz ZBYDHFFWZSRBQN-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416975663 304358960 /nfs/dbraw/zinc/35/89/60/304358960.db2.gz ZINHOLLJPWHVII-DAYGRLMNSA-N 2 1 348.491 1.832 20 0 EDADMP C=Cn1cc(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)cn1 ZINC000354931394 150037540 /nfs/dbraw/zinc/03/75/40/150037540.db2.gz BKDJFXHFELVELJ-GJZGRUSLSA-N 2 1 345.426 1.546 20 0 EDADMP C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000355029079 150082706 /nfs/dbraw/zinc/08/27/06/150082706.db2.gz ITNDMZGPYCMYGQ-PKOBYXMFSA-N 2 1 347.503 1.527 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355591131 150328535 /nfs/dbraw/zinc/32/85/35/150328535.db2.gz WQMISKJADAQAFN-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355591131 150328536 /nfs/dbraw/zinc/32/85/36/150328536.db2.gz WQMISKJADAQAFN-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)[NH+]1CCN(C)CC1 ZINC000370015201 155282121 /nfs/dbraw/zinc/28/21/21/155282121.db2.gz BSZOMIKIMUEZCN-KSZLIROESA-N 2 1 336.524 1.249 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[NH+](C)CC1 ZINC000370015201 155282124 /nfs/dbraw/zinc/28/21/24/155282124.db2.gz BSZOMIKIMUEZCN-KSZLIROESA-N 2 1 336.524 1.249 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[NH+](C)CC1 ZINC000370015201 155282127 /nfs/dbraw/zinc/28/21/27/155282127.db2.gz BSZOMIKIMUEZCN-KSZLIROESA-N 2 1 336.524 1.249 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417045970 304365756 /nfs/dbraw/zinc/36/57/56/304365756.db2.gz RVXHGYQDHDRKHL-IRXDYDNUSA-N 2 1 345.491 1.200 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417045972 304365900 /nfs/dbraw/zinc/36/59/00/304365900.db2.gz RVXHGYQDHDRKHL-SJORKVTESA-N 2 1 345.491 1.200 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)c2cccc(CN3CCOCC3)c2)CC[N@H+]1C ZINC000357407940 151022784 /nfs/dbraw/zinc/02/27/84/151022784.db2.gz FXQKECVMXMPULD-YJBOKZPZSA-N 2 1 331.460 1.731 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000357451445 151035935 /nfs/dbraw/zinc/03/59/35/151035935.db2.gz ATQMUBOJLILJQR-OTWHNJEPSA-N 2 1 343.471 1.298 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000357451445 151035938 /nfs/dbraw/zinc/03/59/38/151035938.db2.gz ATQMUBOJLILJQR-OTWHNJEPSA-N 2 1 343.471 1.298 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000357451445 151035940 /nfs/dbraw/zinc/03/59/40/151035940.db2.gz ATQMUBOJLILJQR-OTWHNJEPSA-N 2 1 343.471 1.298 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000357451445 151035944 /nfs/dbraw/zinc/03/59/44/151035944.db2.gz ATQMUBOJLILJQR-OTWHNJEPSA-N 2 1 343.471 1.298 20 0 EDADMP C[C@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000357613797 151085400 /nfs/dbraw/zinc/08/54/00/151085400.db2.gz YIOMJYNIXKROFU-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000357613797 151085401 /nfs/dbraw/zinc/08/54/01/151085401.db2.gz YIOMJYNIXKROFU-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000357647782 151100218 /nfs/dbraw/zinc/10/02/18/151100218.db2.gz HWARSZMMQZRPML-IAGOWNOFSA-N 2 1 342.528 1.763 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000357647782 151100220 /nfs/dbraw/zinc/10/02/20/151100220.db2.gz HWARSZMMQZRPML-IAGOWNOFSA-N 2 1 342.528 1.763 20 0 EDADMP CSC1(CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC[NH+](C)CC1 ZINC000357873522 151180033 /nfs/dbraw/zinc/18/00/33/151180033.db2.gz VAMMACGXDOZSPF-UKRRQHHQSA-N 2 1 340.537 1.596 20 0 EDADMP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000417076207 304370347 /nfs/dbraw/zinc/37/03/47/304370347.db2.gz JZKSNPJIDXLPLU-VSZNYVQBSA-N 2 1 328.460 1.668 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000358059096 151251287 /nfs/dbraw/zinc/25/12/87/151251287.db2.gz DCZJBHWUIFYMMC-VQIMIIECSA-N 2 1 349.450 1.221 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000358059096 151251290 /nfs/dbraw/zinc/25/12/90/151251290.db2.gz DCZJBHWUIFYMMC-VQIMIIECSA-N 2 1 349.450 1.221 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000358059096 151251292 /nfs/dbraw/zinc/25/12/92/151251292.db2.gz DCZJBHWUIFYMMC-VQIMIIECSA-N 2 1 349.450 1.221 20 0 EDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000358259712 151319594 /nfs/dbraw/zinc/31/95/94/151319594.db2.gz UQVSMSMJVKLCAD-ACJLOTCBSA-N 2 1 332.448 1.688 20 0 EDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000358259712 151319595 /nfs/dbraw/zinc/31/95/95/151319595.db2.gz UQVSMSMJVKLCAD-ACJLOTCBSA-N 2 1 332.448 1.688 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000417093674 304372019 /nfs/dbraw/zinc/37/20/19/304372019.db2.gz BVFPDCHDJNMKRB-YCPHGPKFSA-N 2 1 348.516 1.746 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000417093674 304372020 /nfs/dbraw/zinc/37/20/20/304372020.db2.gz BVFPDCHDJNMKRB-YCPHGPKFSA-N 2 1 348.516 1.746 20 0 EDADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000417120182 304374835 /nfs/dbraw/zinc/37/48/35/304374835.db2.gz YRJQRDXZNZOWEA-KLHDSHLOSA-N 2 1 348.491 1.831 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000574043485 306641311 /nfs/dbraw/zinc/64/13/11/306641311.db2.gz MUINZRVWYNCEEN-ZWKOTPCHSA-N 2 1 337.508 1.414 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360756983 152190586 /nfs/dbraw/zinc/19/05/86/152190586.db2.gz WRKQAERYWMUENN-ZBFHGGJFSA-N 2 1 328.526 1.405 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(CCOC(C)C)CC1 ZINC000360795684 152208557 /nfs/dbraw/zinc/20/85/57/152208557.db2.gz FDLJGIIYINAONU-KRWDZBQOSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000360795684 152208558 /nfs/dbraw/zinc/20/85/58/152208558.db2.gz FDLJGIIYINAONU-KRWDZBQOSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000360795684 152208562 /nfs/dbraw/zinc/20/85/62/152208562.db2.gz FDLJGIIYINAONU-KRWDZBQOSA-N 2 1 342.528 1.859 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](CC)C1 ZINC000360889937 152243015 /nfs/dbraw/zinc/24/30/15/152243015.db2.gz VOJOMSBQLZNXIJ-ULQDDVLXSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000360889937 152243017 /nfs/dbraw/zinc/24/30/17/152243017.db2.gz VOJOMSBQLZNXIJ-ULQDDVLXSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000360889937 152243019 /nfs/dbraw/zinc/24/30/19/152243019.db2.gz VOJOMSBQLZNXIJ-ULQDDVLXSA-N 2 1 342.528 1.593 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCc3c(ncn3C)C2)C[C@H](C)O1 ZINC000360973569 152267020 /nfs/dbraw/zinc/26/70/20/152267020.db2.gz UUTIZPRTTUCFER-OKILXGFUSA-N 2 1 349.479 1.376 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCc3c(ncn3C)C2)C[C@H](C)O1 ZINC000360973569 152267023 /nfs/dbraw/zinc/26/70/23/152267023.db2.gz UUTIZPRTTUCFER-OKILXGFUSA-N 2 1 349.479 1.376 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000361271366 152349760 /nfs/dbraw/zinc/34/97/60/152349760.db2.gz LFTYELOTTFJCAJ-HOTGVXAUSA-N 2 1 335.452 1.086 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000361271366 152349761 /nfs/dbraw/zinc/34/97/61/152349761.db2.gz LFTYELOTTFJCAJ-HOTGVXAUSA-N 2 1 335.452 1.086 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCCC1 ZINC000361288019 152354192 /nfs/dbraw/zinc/35/41/92/152354192.db2.gz NSKMWYQLUMDNQM-IKGGRYGDSA-N 2 1 338.496 1.269 20 0 EDADMP CN(CC[N@@H+]1CCCOCC1)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000361391370 152380715 /nfs/dbraw/zinc/38/07/15/152380715.db2.gz OZRJTYDXDKOLCF-MJGOQNOKSA-N 2 1 349.523 1.457 20 0 EDADMP CN(CC[N@H+]1CCCOCC1)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000361391370 152380718 /nfs/dbraw/zinc/38/07/18/152380718.db2.gz OZRJTYDXDKOLCF-MJGOQNOKSA-N 2 1 349.523 1.457 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000361391370 152380720 /nfs/dbraw/zinc/38/07/20/152380720.db2.gz OZRJTYDXDKOLCF-MJGOQNOKSA-N 2 1 349.523 1.457 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000361391370 152380723 /nfs/dbraw/zinc/38/07/23/152380723.db2.gz OZRJTYDXDKOLCF-MJGOQNOKSA-N 2 1 349.523 1.457 20 0 EDADMP C[NH2+][C@@H](C)CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417158351 304378953 /nfs/dbraw/zinc/37/89/53/304378953.db2.gz BHGCZBVYVYFZPP-LBPRGKRZSA-N 2 1 340.418 1.836 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000417170101 304380317 /nfs/dbraw/zinc/38/03/17/304380317.db2.gz DZJUSNQBNHOFOT-CRAIPNDOSA-N 2 1 346.475 1.398 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363898200 153089445 /nfs/dbraw/zinc/08/94/45/153089445.db2.gz HADDEXYHVAGAHB-KRWDZBQOSA-N 2 1 325.497 1.822 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000364022014 153125243 /nfs/dbraw/zinc/12/52/43/153125243.db2.gz XPDMUYYYPVKBGQ-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000364022014 153125244 /nfs/dbraw/zinc/12/52/44/153125244.db2.gz XPDMUYYYPVKBGQ-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+](CC)CCC[N@@H+](C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000364352843 153214039 /nfs/dbraw/zinc/21/40/39/153214039.db2.gz KZKBGKJYVGITAS-UHFFFAOYSA-N 2 1 338.540 1.737 20 0 EDADMP CC[NH+](CC)CCCN(C)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000364352843 153214042 /nfs/dbraw/zinc/21/40/42/153214042.db2.gz KZKBGKJYVGITAS-UHFFFAOYSA-N 2 1 338.540 1.737 20 0 EDADMP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000364714608 153311367 /nfs/dbraw/zinc/31/13/67/153311367.db2.gz YLZJGPBMPQASQW-WBVHZDCISA-N 2 1 346.475 1.547 20 0 EDADMP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000364714608 153311368 /nfs/dbraw/zinc/31/13/68/153311368.db2.gz YLZJGPBMPQASQW-WBVHZDCISA-N 2 1 346.475 1.547 20 0 EDADMP C[N@@H+](C[C@H]1CC12CCN(C(=O)c1[nH]nc3c1C[NH2+]CC3)CC2)C1CC1 ZINC000364738274 153320054 /nfs/dbraw/zinc/32/00/54/153320054.db2.gz UTESOVFUAJMKCR-CYBMUJFWSA-N 2 1 343.475 1.392 20 0 EDADMP C[N@H+](C[C@H]1CC12CCN(C(=O)c1n[nH]c3c1C[NH2+]CC3)CC2)C1CC1 ZINC000364738274 153320055 /nfs/dbraw/zinc/32/00/55/153320055.db2.gz UTESOVFUAJMKCR-CYBMUJFWSA-N 2 1 343.475 1.392 20 0 EDADMP C[N@@H+](C[C@H]1CC12CCN(C(=O)c1n[nH]c3c1C[NH2+]CC3)CC2)C1CC1 ZINC000364738274 153320057 /nfs/dbraw/zinc/32/00/57/153320057.db2.gz UTESOVFUAJMKCR-CYBMUJFWSA-N 2 1 343.475 1.392 20 0 EDADMP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367108857 154011306 /nfs/dbraw/zinc/01/13/06/154011306.db2.gz GTAXBRIDHDUWMC-SJORKVTESA-N 2 1 336.524 1.393 20 0 EDADMP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367108857 154011307 /nfs/dbraw/zinc/01/13/07/154011307.db2.gz GTAXBRIDHDUWMC-SJORKVTESA-N 2 1 336.524 1.393 20 0 EDADMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@H](O)CN1CCCC1=O)CC2)C1CC1 ZINC000367208005 154041917 /nfs/dbraw/zinc/04/19/17/154041917.db2.gz FWXKSINNJBQTGI-WBVHZDCISA-N 2 1 335.492 1.166 20 0 EDADMP Cc1cnn(C)c1C[NH2+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000367532075 154164020 /nfs/dbraw/zinc/16/40/20/154164020.db2.gz XDWWTBZAXWBJHR-LJQANCHMSA-N 2 1 327.476 1.807 20 0 EDADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000367624525 154204120 /nfs/dbraw/zinc/20/41/20/154204120.db2.gz VXUOWNPLMWRGQT-VQIMIIECSA-N 2 1 335.467 1.819 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367654672 154216493 /nfs/dbraw/zinc/21/64/93/154216493.db2.gz AYZKMXXLLNLVRD-XYJFISCASA-N 2 1 338.540 1.780 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367654672 154216495 /nfs/dbraw/zinc/21/64/95/154216495.db2.gz AYZKMXXLLNLVRD-XYJFISCASA-N 2 1 338.540 1.780 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(C)(C)CN1CCn2ccnc2C1 ZINC000367953011 154341087 /nfs/dbraw/zinc/34/10/87/154341087.db2.gz XRIIVUOIDXLVJU-HOTGVXAUSA-N 2 1 347.507 1.524 20 0 EDADMP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000367953011 154341090 /nfs/dbraw/zinc/34/10/90/154341090.db2.gz XRIIVUOIDXLVJU-HOTGVXAUSA-N 2 1 347.507 1.524 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000367953011 154341093 /nfs/dbraw/zinc/34/10/93/154341093.db2.gz XRIIVUOIDXLVJU-HOTGVXAUSA-N 2 1 347.507 1.524 20 0 EDADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000367953011 154341096 /nfs/dbraw/zinc/34/10/96/154341096.db2.gz XRIIVUOIDXLVJU-HOTGVXAUSA-N 2 1 347.507 1.524 20 0 EDADMP Cc1nccc(N2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)CC2)n1 ZINC000367956046 154342708 /nfs/dbraw/zinc/34/27/08/154342708.db2.gz LWJGAAJGGCXIDJ-SFHVURJKSA-N 2 1 349.454 1.646 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417342042 304392768 /nfs/dbraw/zinc/39/27/68/304392768.db2.gz OLGSVUMVOKNNLA-IIDMSEBBSA-N 2 1 330.476 1.860 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCN1Cc1ccccn1)C1=CC[N@@H+](C)CC1 ZINC000371582383 156015352 /nfs/dbraw/zinc/01/53/52/156015352.db2.gz VAJXLJMVEWRUFB-MAUKXSAKSA-N 2 1 328.460 1.813 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C1=CC[NH+](C)CC1 ZINC000371582383 156015357 /nfs/dbraw/zinc/01/53/57/156015357.db2.gz VAJXLJMVEWRUFB-MAUKXSAKSA-N 2 1 328.460 1.813 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccn1)C1=CC[N@H+](C)CC1 ZINC000371582383 156015364 /nfs/dbraw/zinc/01/53/64/156015364.db2.gz VAJXLJMVEWRUFB-MAUKXSAKSA-N 2 1 328.460 1.813 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccn1)C1=CC[N@@H+](C)CC1 ZINC000371582383 156015365 /nfs/dbraw/zinc/01/53/65/156015365.db2.gz VAJXLJMVEWRUFB-MAUKXSAKSA-N 2 1 328.460 1.813 20 0 EDADMP CN1CCO[C@H](C(=O)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000371775371 156100495 /nfs/dbraw/zinc/10/04/95/156100495.db2.gz XXQNTRSFLNRGRR-MANSERQUSA-N 2 1 343.471 1.344 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000371775371 156100502 /nfs/dbraw/zinc/10/05/02/156100502.db2.gz XXQNTRSFLNRGRR-MANSERQUSA-N 2 1 343.471 1.344 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000371775371 156100507 /nfs/dbraw/zinc/10/05/07/156100507.db2.gz XXQNTRSFLNRGRR-MANSERQUSA-N 2 1 343.471 1.344 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000371775371 156100513 /nfs/dbraw/zinc/10/05/13/156100513.db2.gz XXQNTRSFLNRGRR-MANSERQUSA-N 2 1 343.471 1.344 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000371775371 156100519 /nfs/dbraw/zinc/10/05/19/156100519.db2.gz XXQNTRSFLNRGRR-MANSERQUSA-N 2 1 343.471 1.344 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000371905437 156160352 /nfs/dbraw/zinc/16/03/52/156160352.db2.gz AXTBIXWNLQHDMO-HNNXBMFYSA-N 2 1 335.452 1.410 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000371905437 156160354 /nfs/dbraw/zinc/16/03/54/156160354.db2.gz AXTBIXWNLQHDMO-HNNXBMFYSA-N 2 1 335.452 1.410 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000371905437 156160359 /nfs/dbraw/zinc/16/03/59/156160359.db2.gz AXTBIXWNLQHDMO-HNNXBMFYSA-N 2 1 335.452 1.410 20 0 EDADMP C[C@H](O)C[C@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372232191 156280225 /nfs/dbraw/zinc/28/02/25/156280225.db2.gz GKPJTOWKHVVAIH-YQQAZPJKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[C@H]1CCCN1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372232191 156280229 /nfs/dbraw/zinc/28/02/29/156280229.db2.gz GKPJTOWKHVVAIH-YQQAZPJKSA-N 2 1 338.496 1.100 20 0 EDADMP COc1ccc(F)cc1CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372253575 156289703 /nfs/dbraw/zinc/28/97/03/156289703.db2.gz GLFQBLFYLMTCSH-MRXNPFEDSA-N 2 1 349.450 1.662 20 0 EDADMP COc1ccc(F)cc1CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372253575 156289708 /nfs/dbraw/zinc/28/97/08/156289708.db2.gz GLFQBLFYLMTCSH-MRXNPFEDSA-N 2 1 349.450 1.662 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)CC1 ZINC000374572897 157331146 /nfs/dbraw/zinc/33/11/46/157331146.db2.gz ROSNAZKYKDVANI-FQEVSTJZSA-N 2 1 345.487 1.220 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)CC1 ZINC000374572897 157331147 /nfs/dbraw/zinc/33/11/47/157331147.db2.gz ROSNAZKYKDVANI-FQEVSTJZSA-N 2 1 345.487 1.220 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000377935114 158033316 /nfs/dbraw/zinc/03/33/16/158033316.db2.gz CXCAYYVELHZAQY-ICUGJSFKSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000377935114 158033318 /nfs/dbraw/zinc/03/33/18/158033318.db2.gz CXCAYYVELHZAQY-ICUGJSFKSA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[NH+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000377935114 158033319 /nfs/dbraw/zinc/03/33/19/158033319.db2.gz CXCAYYVELHZAQY-ICUGJSFKSA-N 2 1 337.508 1.722 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000378206009 158109338 /nfs/dbraw/zinc/10/93/38/158109338.db2.gz OPKCMODLJNCIJD-HQSKLWIPSA-N 2 1 334.508 1.146 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000378435128 158172322 /nfs/dbraw/zinc/17/23/22/158172322.db2.gz MTFYWXKQYSKOSJ-SFHVURJKSA-N 2 1 345.487 1.917 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000352499819 162214928 /nfs/dbraw/zinc/21/49/28/162214928.db2.gz LWMFYBMNIHRZJC-INIZCTEOSA-N 2 1 339.505 1.901 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC[S@](=O)c2ccccc2)CC1 ZINC000357652257 162286977 /nfs/dbraw/zinc/28/69/77/162286977.db2.gz VBCZOOPJOUANDW-HJPURHCSSA-N 2 1 338.517 1.819 20 0 EDADMP COc1ncccc1NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364231638 162321453 /nfs/dbraw/zinc/32/14/53/162321453.db2.gz OGZBHFBANLXHIZ-CYBMUJFWSA-N 2 1 333.436 1.380 20 0 EDADMP COc1ncccc1NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364231638 162321458 /nfs/dbraw/zinc/32/14/58/162321458.db2.gz OGZBHFBANLXHIZ-CYBMUJFWSA-N 2 1 333.436 1.380 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000074851350 287274126 /nfs/dbraw/zinc/27/41/26/287274126.db2.gz UTAQWQROZLLGRL-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000074851350 287274127 /nfs/dbraw/zinc/27/41/27/287274127.db2.gz UTAQWQROZLLGRL-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H]1CCC[N@H+](CCNC(=O)C2([NH+]3CCN(C)CC3)CCCC2)C1 ZINC000369942866 287349448 /nfs/dbraw/zinc/34/94/48/287349448.db2.gz HTNABSNUWNMIJB-QGZVFWFLSA-N 2 1 336.524 1.395 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C2([NH+]3CCN(C)CC3)CCCC2)C1 ZINC000369942866 287349450 /nfs/dbraw/zinc/34/94/50/287349450.db2.gz HTNABSNUWNMIJB-QGZVFWFLSA-N 2 1 336.524 1.395 20 0 EDADMP Cc1ncsc1CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665757372 452324576 /nfs/dbraw/zinc/32/45/76/452324576.db2.gz HTILQOTXXGBWRL-ZDUSSCGKSA-N 2 1 341.525 1.865 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)C[C@H]1CCCOC1 ZINC000665757854 452327275 /nfs/dbraw/zinc/32/72/75/452327275.db2.gz YHPQTKJECQOVOH-JKSUJKDBSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)C[C@H]1CCCOC1 ZINC000665757854 452327283 /nfs/dbraw/zinc/32/72/83/452327283.db2.gz YHPQTKJECQOVOH-JKSUJKDBSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000665761356 452334317 /nfs/dbraw/zinc/33/43/17/452334317.db2.gz AKWWDDXKEQIQOU-INIZCTEOSA-N 3 1 341.544 1.384 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000665761356 452334328 /nfs/dbraw/zinc/33/43/28/452334328.db2.gz AKWWDDXKEQIQOU-INIZCTEOSA-N 3 1 341.544 1.384 20 0 EDADMP C[NH+]1CCC(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000072727936 267394935 /nfs/dbraw/zinc/39/49/35/267394935.db2.gz SIWTYVNNALGBOU-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000268804854 273022230 /nfs/dbraw/zinc/02/22/30/273022230.db2.gz KMNDCSPZWLFRCO-QWFCFKBJSA-N 2 1 345.535 1.912 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000190183240 267789066 /nfs/dbraw/zinc/78/90/66/267789066.db2.gz YEBPCUCTXAIXEU-QGZVFWFLSA-N 2 1 340.512 1.472 20 0 EDADMP C[C@H](C[NH3+])NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000274381107 268131981 /nfs/dbraw/zinc/13/19/81/268131981.db2.gz AXWMOBXQTAUOGR-IUODEOHRSA-N 2 1 329.366 1.904 20 0 EDADMP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279118717 273280932 /nfs/dbraw/zinc/28/09/32/273280932.db2.gz WVGHMOXODWNKEI-SFHVURJKSA-N 2 1 328.460 1.789 20 0 EDADMP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)nc2)C1 ZINC000279660685 273315180 /nfs/dbraw/zinc/31/51/80/273315180.db2.gz CKRPSNQGUGLDJT-SJORKVTESA-N 2 1 343.475 1.787 20 0 EDADMP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)nc2)C1 ZINC000279660685 273315181 /nfs/dbraw/zinc/31/51/81/273315181.db2.gz CKRPSNQGUGLDJT-SJORKVTESA-N 2 1 343.475 1.787 20 0 EDADMP COc1ncc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000284398484 274187657 /nfs/dbraw/zinc/18/76/57/274187657.db2.gz PNVNCVRNCDALPS-GFCCVEGCSA-N 2 1 340.855 1.558 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351443683 276283416 /nfs/dbraw/zinc/28/34/16/276283416.db2.gz NGZCXYCSYNRNSA-UXLLHSPISA-N 2 1 325.497 1.458 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351443683 276283417 /nfs/dbraw/zinc/28/34/17/276283417.db2.gz NGZCXYCSYNRNSA-UXLLHSPISA-N 2 1 325.497 1.458 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351443683 276283418 /nfs/dbraw/zinc/28/34/18/276283418.db2.gz NGZCXYCSYNRNSA-UXLLHSPISA-N 2 1 325.497 1.458 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351443683 276283419 /nfs/dbraw/zinc/28/34/19/276283419.db2.gz NGZCXYCSYNRNSA-UXLLHSPISA-N 2 1 325.497 1.458 20 0 EDADMP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000336881722 276323390 /nfs/dbraw/zinc/32/33/90/276323390.db2.gz UJVZETHZSHBCOU-QGZVFWFLSA-N 2 1 333.480 1.579 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccncc1 ZINC000263644611 276370782 /nfs/dbraw/zinc/37/07/82/276370782.db2.gz BVCMIDPVERMWLY-GOSISDBHSA-N 2 1 332.492 1.889 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCc2ccccc2)CC1 ZINC000370269037 277091643 /nfs/dbraw/zinc/09/16/43/277091643.db2.gz PZPVQTJDOCYYPP-GOSISDBHSA-N 2 1 330.476 1.651 20 0 EDADMP C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CCc2ccccc2)CC1 ZINC000370269037 277091646 /nfs/dbraw/zinc/09/16/46/277091646.db2.gz PZPVQTJDOCYYPP-GOSISDBHSA-N 2 1 330.476 1.651 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000341868306 277223220 /nfs/dbraw/zinc/22/32/20/277223220.db2.gz GWLPPIDLAXMXKL-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000359338529 277305376 /nfs/dbraw/zinc/30/53/76/277305376.db2.gz BXVMFYAYPRBEKL-FGTMMUONSA-N 2 1 337.508 1.963 20 0 EDADMP COC(=O)[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1c1ccccc1 ZINC000352103544 277363464 /nfs/dbraw/zinc/36/34/64/277363464.db2.gz PLUQYOQCVWSHDE-OKZBNKHCSA-N 2 1 332.444 1.330 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1c1ccccc1 ZINC000352103544 277363465 /nfs/dbraw/zinc/36/34/65/277363465.db2.gz PLUQYOQCVWSHDE-OKZBNKHCSA-N 2 1 332.444 1.330 20 0 EDADMP COC(=O)[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1c1ccccc1 ZINC000352103544 277363466 /nfs/dbraw/zinc/36/34/66/277363466.db2.gz PLUQYOQCVWSHDE-OKZBNKHCSA-N 2 1 332.444 1.330 20 0 EDADMP COC(=O)[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1c1ccccc1 ZINC000352103544 277363467 /nfs/dbraw/zinc/36/34/67/277363467.db2.gz PLUQYOQCVWSHDE-OKZBNKHCSA-N 2 1 332.444 1.330 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC000359552045 279142064 /nfs/dbraw/zinc/14/20/64/279142064.db2.gz BTNVVEKRGHDXTC-HOTGVXAUSA-N 2 1 340.512 1.070 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000366034825 279265598 /nfs/dbraw/zinc/26/55/98/279265598.db2.gz SMWWLCFOOQNXID-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000366034826 279277393 /nfs/dbraw/zinc/27/73/93/279277393.db2.gz SMWWLCFOOQNXID-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000106521828 279312084 /nfs/dbraw/zinc/31/20/84/279312084.db2.gz DNJKYZQTMCANEJ-QGZVFWFLSA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000072067281 279330132 /nfs/dbraw/zinc/33/01/32/279330132.db2.gz BHLFXZZSKLXJFO-INIZCTEOSA-N 2 1 339.505 1.723 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000458433287 279353887 /nfs/dbraw/zinc/35/38/87/279353887.db2.gz IXMABPKUXJOMBW-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000458433287 279353889 /nfs/dbraw/zinc/35/38/89/279353889.db2.gz IXMABPKUXJOMBW-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000458433287 279353891 /nfs/dbraw/zinc/35/38/91/279353891.db2.gz IXMABPKUXJOMBW-JKSUJKDBSA-N 2 1 339.528 1.184 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000178873927 279363408 /nfs/dbraw/zinc/36/34/08/279363408.db2.gz BSMKHSFXOJJJJT-INIZCTEOSA-N 2 1 332.492 1.296 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000287042589 288144161 /nfs/dbraw/zinc/14/41/61/288144161.db2.gz HOYFVOPGYKGHBX-DLBZAZTESA-N 2 1 347.507 1.446 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000342567975 288307328 /nfs/dbraw/zinc/30/73/28/288307328.db2.gz LTXHSZMQFDTFBN-PVAVHDDUSA-N 2 1 337.533 1.899 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000347405847 282023990 /nfs/dbraw/zinc/02/39/90/282023990.db2.gz ZGAZPQGGMOZJNQ-HZPDHXFCSA-N 2 1 326.529 1.541 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)cn1 ZINC000290252995 288866541 /nfs/dbraw/zinc/86/65/41/288866541.db2.gz UJHJPHBSLWIKKP-NVXWUHKLSA-N 2 1 327.432 1.826 20 0 EDADMP CN1CCO[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000291196865 289016343 /nfs/dbraw/zinc/01/63/43/289016343.db2.gz PRIZAWQYBOJRRI-IBGZPJMESA-N 2 1 335.467 1.753 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCCO[C@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000424030562 289271083 /nfs/dbraw/zinc/27/10/83/289271083.db2.gz ZBCUUDGFHXEFCZ-HUUCEWRRSA-N 2 1 325.840 1.519 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CCSC1 ZINC000292284152 289305916 /nfs/dbraw/zinc/30/59/16/289305916.db2.gz XQXPYAJSEAKMNP-INIZCTEOSA-N 2 1 338.477 1.438 20 0 EDADMP C[NH+](C)[C@@]1(C(=O)NCC2(C)CC[NH2+]CC2)CCOc2ccccc21 ZINC000363652984 289338984 /nfs/dbraw/zinc/33/89/84/289338984.db2.gz SGGAEORNVGTWKN-IBGZPJMESA-N 2 1 331.460 1.732 20 0 EDADMP COC[C@]1(CNC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417015498 293290113 /nfs/dbraw/zinc/29/01/13/293290113.db2.gz MOXNZSSVVNXAIK-HLLBOEOZSA-N 2 1 326.485 1.175 20 0 EDADMP CO[C@H](C)C[N@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348176075 294266870 /nfs/dbraw/zinc/26/68/70/294266870.db2.gz XRTPISBDVQYHMN-MCIONIFRSA-N 2 1 325.432 1.426 20 0 EDADMP CO[C@H](C)C[N@@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348176075 294266872 /nfs/dbraw/zinc/26/68/72/294266872.db2.gz XRTPISBDVQYHMN-MCIONIFRSA-N 2 1 325.432 1.426 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000171820048 295471604 /nfs/dbraw/zinc/47/16/04/295471604.db2.gz IOGVOUGHAPMYPN-GOSISDBHSA-N 2 1 337.508 1.966 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000418692848 304528820 /nfs/dbraw/zinc/52/88/20/304528820.db2.gz GGQGOFNGQXOJHA-RYUDHWBXSA-N 2 1 340.390 1.018 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000362942968 298163912 /nfs/dbraw/zinc/16/39/12/298163912.db2.gz RSRHYCQNNJBPFW-ILOCAZANSA-N 2 1 337.508 1.865 20 0 EDADMP C[C@H]([NH3+])C1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000420291754 304743741 /nfs/dbraw/zinc/74/37/41/304743741.db2.gz KRMLGZQEHUNAIY-YJBOKZPZSA-N 2 1 332.492 1.465 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000294209695 303077341 /nfs/dbraw/zinc/07/73/41/303077341.db2.gz LZUCCHRXIYEWBP-ZDUSSCGKSA-N 2 1 334.424 1.462 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)[NH2+]C3CC3)C2)cc(OC)c1 ZINC000295727525 303258426 /nfs/dbraw/zinc/25/84/26/303258426.db2.gz NYDAPEUHHTYSQU-BBRMVZONSA-N 2 1 347.459 1.535 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)[NH2+]C3CC3)C2)cc(OC)c1 ZINC000295727525 303258427 /nfs/dbraw/zinc/25/84/27/303258427.db2.gz NYDAPEUHHTYSQU-BBRMVZONSA-N 2 1 347.459 1.535 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1 ZINC000458381199 447336421 /nfs/dbraw/zinc/33/64/21/447336421.db2.gz IEBRQAWQRLMJQN-UHFFFAOYSA-N 2 1 341.544 1.434 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1 ZINC000458381199 447336425 /nfs/dbraw/zinc/33/64/25/447336425.db2.gz IEBRQAWQRLMJQN-UHFFFAOYSA-N 2 1 341.544 1.434 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414880665 447340113 /nfs/dbraw/zinc/34/01/13/447340113.db2.gz QXALTWAYSHPQFX-UHFFFAOYSA-N 2 1 332.448 1.119 20 0 EDADMP Clc1cnn2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)cnc12 ZINC000423147930 304888602 /nfs/dbraw/zinc/88/86/02/304888602.db2.gz UBOKLACOLKNYRF-IMJJTQAJSA-N 2 1 349.866 1.672 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000430585094 305057270 /nfs/dbraw/zinc/05/72/70/305057270.db2.gz WGSYLMQPUJIVEW-HZPDHXFCSA-N 2 1 325.497 1.901 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000430585094 305057271 /nfs/dbraw/zinc/05/72/71/305057271.db2.gz WGSYLMQPUJIVEW-HZPDHXFCSA-N 2 1 325.497 1.901 20 0 EDADMP CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000430588665 305057423 /nfs/dbraw/zinc/05/74/23/305057423.db2.gz FPDPMQAZACEFPV-UHFFFAOYSA-N 2 1 348.447 1.413 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430621639 305059627 /nfs/dbraw/zinc/05/96/27/305059627.db2.gz DWIQVPWDGUTKQO-INIZCTEOSA-N 2 1 349.475 1.723 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430621639 305059628 /nfs/dbraw/zinc/05/96/28/305059628.db2.gz DWIQVPWDGUTKQO-INIZCTEOSA-N 2 1 349.475 1.723 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2OC)CC[N@H+]1CCOC ZINC000430719961 305063253 /nfs/dbraw/zinc/06/32/53/305063253.db2.gz LJIBMLGWKVAMCW-PBHICJAKSA-N 2 1 335.448 1.264 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@]2(CCOC)CC[NH2+]C2)C1 ZINC000430735530 305063739 /nfs/dbraw/zinc/06/37/39/305063739.db2.gz RBIUTYOIQULBRD-YJBOKZPZSA-N 2 1 334.464 1.625 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000431015216 305072860 /nfs/dbraw/zinc/07/28/60/305072860.db2.gz SNALIUHFXQNBAL-QZTJIDSGSA-N 2 1 338.540 1.818 20 0 EDADMP CC(C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000431512420 305078478 /nfs/dbraw/zinc/07/84/78/305078478.db2.gz OSRCNXNWKCLSCH-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000431512420 305078479 /nfs/dbraw/zinc/07/84/79/305078479.db2.gz OSRCNXNWKCLSCH-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000433870544 305114218 /nfs/dbraw/zinc/11/42/18/305114218.db2.gz RCEZBTCEOOECQZ-YOEHRIQHSA-N 2 1 339.505 1.755 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000434298028 305120021 /nfs/dbraw/zinc/12/00/21/305120021.db2.gz GWYCHFPHXVXYHL-AIANPOQGSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000434298028 305120022 /nfs/dbraw/zinc/12/00/22/305120022.db2.gz GWYCHFPHXVXYHL-AIANPOQGSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000434298028 305120023 /nfs/dbraw/zinc/12/00/23/305120023.db2.gz GWYCHFPHXVXYHL-AIANPOQGSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000434298028 305120024 /nfs/dbraw/zinc/12/00/24/305120024.db2.gz GWYCHFPHXVXYHL-AIANPOQGSA-N 2 1 338.496 1.220 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)[NH+]1CCOCC1 ZINC000435904209 305149056 /nfs/dbraw/zinc/14/90/56/305149056.db2.gz VSPMAODMZLHMFM-ZHALLVOQSA-N 2 1 337.508 1.629 20 0 EDADMP Cn1c(CC[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])nc2ccccc21 ZINC000436061740 305151819 /nfs/dbraw/zinc/15/18/19/305151819.db2.gz IDIUXWCZEACUMG-OAHLLOKOSA-N 2 1 343.475 1.435 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458407526 447349327 /nfs/dbraw/zinc/34/93/27/447349327.db2.gz DEKBVOLLNGPHHN-IRXDYDNUSA-N 2 1 340.512 1.397 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458407526 447349336 /nfs/dbraw/zinc/34/93/36/447349336.db2.gz DEKBVOLLNGPHHN-IRXDYDNUSA-N 2 1 340.512 1.397 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442758956 305229666 /nfs/dbraw/zinc/22/96/66/305229666.db2.gz CAIMSJFMPBSUNA-OAGGEKHMSA-N 2 1 346.475 1.098 20 0 EDADMP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443066466 305234295 /nfs/dbraw/zinc/23/42/95/305234295.db2.gz FEHREAXWWYDJAY-QGZVFWFLSA-N 2 1 333.476 1.859 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)C[NH+]1CCOCC1 ZINC000445127808 305256930 /nfs/dbraw/zinc/25/69/30/305256930.db2.gz CXDPTLNHBABPNW-INIZCTEOSA-N 2 1 340.512 1.376 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+]1CCCC(C)(C)C1)C[NH+]1CCOCC1 ZINC000445127808 305256931 /nfs/dbraw/zinc/25/69/31/305256931.db2.gz CXDPTLNHBABPNW-INIZCTEOSA-N 2 1 340.512 1.376 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@@H](C4CC4)[C@@H]3C3CC3)cn2)CC1 ZINC000449531036 305312920 /nfs/dbraw/zinc/31/29/20/305312920.db2.gz AWQQKFIALOBUIH-ROUUACIJSA-N 2 1 327.476 1.849 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@@H](C4CC4)[C@@H]3C3CC3)cn2)CC1 ZINC000449531036 305312921 /nfs/dbraw/zinc/31/29/21/305312921.db2.gz AWQQKFIALOBUIH-ROUUACIJSA-N 2 1 327.476 1.849 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000449714151 305317930 /nfs/dbraw/zinc/31/79/30/305317930.db2.gz ZSPPTKLPGHYMKK-ROUUACIJSA-N 2 1 331.460 1.536 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458407526 447349345 /nfs/dbraw/zinc/34/93/45/447349345.db2.gz DEKBVOLLNGPHHN-IRXDYDNUSA-N 2 1 340.512 1.397 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)C(C)C)C2)CC1 ZINC000451523861 305351026 /nfs/dbraw/zinc/35/10/26/305351026.db2.gz AWGOXXFHQDCTIA-ROUUACIJSA-N 2 1 325.497 1.270 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)C(C)C)C2)CC1 ZINC000451523861 305351027 /nfs/dbraw/zinc/35/10/27/305351027.db2.gz AWGOXXFHQDCTIA-ROUUACIJSA-N 2 1 325.497 1.270 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H](O)C(C)C)C2)CC1 ZINC000451523861 305351028 /nfs/dbraw/zinc/35/10/28/305351028.db2.gz AWGOXXFHQDCTIA-ROUUACIJSA-N 2 1 325.497 1.270 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H](O)C(C)C)C2)CC1 ZINC000451523861 305351029 /nfs/dbraw/zinc/35/10/29/305351029.db2.gz AWGOXXFHQDCTIA-ROUUACIJSA-N 2 1 325.497 1.270 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2[C@@H](C)CCC2(C)C)C1 ZINC000452009519 305378085 /nfs/dbraw/zinc/37/80/85/305378085.db2.gz UVIBHURAHIPLPD-HOTGVXAUSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2[C@@H](C)CCC2(C)C)C1 ZINC000452009519 305378086 /nfs/dbraw/zinc/37/80/86/305378086.db2.gz UVIBHURAHIPLPD-HOTGVXAUSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2[C@@H](C)CCC2(C)C)C1 ZINC000452009519 305378087 /nfs/dbraw/zinc/37/80/87/305378087.db2.gz UVIBHURAHIPLPD-HOTGVXAUSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452169533 305385594 /nfs/dbraw/zinc/38/55/94/305385594.db2.gz GEINFWOSYRWYBA-CRAIPNDOSA-N 2 1 337.508 1.722 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(C[NH+]2CCCC2)cc1 ZINC000452365048 305393106 /nfs/dbraw/zinc/39/31/06/305393106.db2.gz NCOSHXDTBWBGLD-LJQANCHMSA-N 2 1 345.487 1.859 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000414932681 447361938 /nfs/dbraw/zinc/36/19/38/447361938.db2.gz DCQQFFNBAYFCDW-SWLSCSKDSA-N 2 1 330.432 1.086 20 0 EDADMP COCCC1CC[NH+](CC(O)C[NH+]2CCC(CCOC)CC2)CC1 ZINC000528576946 305878921 /nfs/dbraw/zinc/87/89/21/305878921.db2.gz HLZRDBLIAMUWDI-UHFFFAOYSA-N 2 1 342.524 1.844 20 0 EDADMP Cc1[nH]nc2ncc(C[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cc12 ZINC000536665058 306024633 /nfs/dbraw/zinc/02/46/33/306024633.db2.gz OKABEIGJJHTDIW-QGZVFWFLSA-N 2 1 342.491 1.867 20 0 EDADMP C[C@H]1CC(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000537642246 306028503 /nfs/dbraw/zinc/02/85/03/306028503.db2.gz IDFLAIXFVURMHD-KBPBESRZSA-N 2 1 332.448 1.976 20 0 EDADMP C[C@@H](CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C[NH+]1CCCC1 ZINC000538684757 306032061 /nfs/dbraw/zinc/03/20/61/306032061.db2.gz LQLFNPYRLWRCJI-ZDUSSCGKSA-N 2 1 344.463 1.496 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)CCC[NH+](C)C)[C@@H](C)C1 ZINC000544667236 306077675 /nfs/dbraw/zinc/07/76/75/306077675.db2.gz XPXBNFYCVCPBCS-IRXDYDNUSA-N 2 1 342.528 1.717 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000546015760 306089827 /nfs/dbraw/zinc/08/98/27/306089827.db2.gz OSTKTBKIUVQQBF-MRXNPFEDSA-N 2 1 325.497 1.556 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000547727430 306110136 /nfs/dbraw/zinc/11/01/36/306110136.db2.gz RODZBAUFVWUUQW-HNNXBMFYSA-N 2 1 334.464 1.212 20 0 EDADMP COC(=O)CC1([NH2+]CCC(=O)N2CC[NH+](C)CC2)CCCCC1 ZINC000549136939 306144910 /nfs/dbraw/zinc/14/49/10/306144910.db2.gz XVSXOROHAFLWKX-UHFFFAOYSA-N 2 1 325.453 1.006 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccn(C)c3=O)CC2)CC1 ZINC000553461151 306185174 /nfs/dbraw/zinc/18/51/74/306185174.db2.gz JMTBLTZCAZVBMJ-UHFFFAOYSA-N 2 1 346.475 1.520 20 0 EDADMP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C[C@@H]1O ZINC000556974432 306222269 /nfs/dbraw/zinc/22/22/69/306222269.db2.gz XYQJUECPGRFTID-BZSNNMDCSA-N 2 1 349.450 1.314 20 0 EDADMP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C[C@@H]1O ZINC000556974432 306222270 /nfs/dbraw/zinc/22/22/70/306222270.db2.gz XYQJUECPGRFTID-BZSNNMDCSA-N 2 1 349.450 1.314 20 0 EDADMP C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000557137475 306224885 /nfs/dbraw/zinc/22/48/85/306224885.db2.gz PSDIFECWEIKVDJ-CVEARBPZSA-N 2 1 346.475 1.411 20 0 EDADMP [NH3+][C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CC1 ZINC000414963529 447375492 /nfs/dbraw/zinc/37/54/92/447375492.db2.gz KXNYYKXUYYLGBS-KRWDZBQOSA-N 2 1 332.448 1.420 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000456392953 447385603 /nfs/dbraw/zinc/38/56/03/447385603.db2.gz XNYZFOWHRBTFDQ-MRXNPFEDSA-N 2 1 334.464 1.578 20 0 EDADMP CC(C)[NH+](CCCNC(=O)NC[C@H]1CCCC[N@H+]1CCO)C(C)C ZINC000458496184 447388873 /nfs/dbraw/zinc/38/88/73/447388873.db2.gz JKUVCHDNGSXXOZ-QGZVFWFLSA-N 2 1 342.528 1.641 20 0 EDADMP CC[C@@]1(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC[NH2+]C1 ZINC000378219228 447408998 /nfs/dbraw/zinc/40/89/98/447408998.db2.gz IIZGIMBHLNSZCN-OXQOHEQNSA-N 2 1 345.487 1.913 20 0 EDADMP CC[C@@]1(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC[NH2+]C1 ZINC000378219228 447409003 /nfs/dbraw/zinc/40/90/03/447409003.db2.gz IIZGIMBHLNSZCN-OXQOHEQNSA-N 2 1 345.487 1.913 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458588808 447423540 /nfs/dbraw/zinc/42/35/40/447423540.db2.gz YKQWASVVOOPGJZ-IAGOWNOFSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458588808 447423547 /nfs/dbraw/zinc/42/35/47/447423547.db2.gz YKQWASVVOOPGJZ-IAGOWNOFSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458588808 447423554 /nfs/dbraw/zinc/42/35/54/447423554.db2.gz YKQWASVVOOPGJZ-IAGOWNOFSA-N 2 1 340.512 1.253 20 0 EDADMP CCN(C(=O)C(=O)NCCC[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000419828436 447436406 /nfs/dbraw/zinc/43/64/06/447436406.db2.gz CVWGSHXHVFWLIL-RDJZCZTQSA-N 2 1 346.475 1.135 20 0 EDADMP CC(C)CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000045751809 441031549 /nfs/dbraw/zinc/03/15/49/441031549.db2.gz LCHSXZBPECGAHH-SFHVURJKSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000045751809 441031555 /nfs/dbraw/zinc/03/15/55/441031555.db2.gz LCHSXZBPECGAHH-SFHVURJKSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000045751809 441031559 /nfs/dbraw/zinc/03/15/59/441031559.db2.gz LCHSXZBPECGAHH-SFHVURJKSA-N 2 1 339.524 1.970 20 0 EDADMP CC[NH+](CC)CC(=O)N1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000103562240 441183658 /nfs/dbraw/zinc/18/36/58/441183658.db2.gz GSSCEPVWNJGMIL-UHFFFAOYSA-N 2 1 348.491 1.693 20 0 EDADMP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000081119603 441234841 /nfs/dbraw/zinc/23/48/41/441234841.db2.gz VGNAHVRLXFXXNN-ROUUACIJSA-N 2 1 334.508 1.101 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000104866892 441217739 /nfs/dbraw/zinc/21/77/39/441217739.db2.gz PMMBJEIXDPTGCW-ROUUACIJSA-N 2 1 330.476 1.186 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000104866892 441217742 /nfs/dbraw/zinc/21/77/42/441217742.db2.gz PMMBJEIXDPTGCW-ROUUACIJSA-N 2 1 330.476 1.186 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000063178345 441317109 /nfs/dbraw/zinc/31/71/09/441317109.db2.gz MANVSCLVQOQLBH-JTQLQIEISA-N 2 1 346.294 1.798 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000063178345 441317113 /nfs/dbraw/zinc/31/71/13/441317113.db2.gz MANVSCLVQOQLBH-JTQLQIEISA-N 2 1 346.294 1.798 20 0 EDADMP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000108462110 441454366 /nfs/dbraw/zinc/45/43/66/441454366.db2.gz HWXCNQLVLSYCJK-VQIMIIECSA-N 2 1 345.487 1.642 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000108462110 441454370 /nfs/dbraw/zinc/45/43/70/441454370.db2.gz HWXCNQLVLSYCJK-VQIMIIECSA-N 2 1 345.487 1.642 20 0 EDADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000110649065 441520223 /nfs/dbraw/zinc/52/02/23/441520223.db2.gz SEDQHPALRHMAAV-SNVBAGLBSA-N 2 1 341.253 1.842 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](CCO)c2ccccc2)CC1 ZINC000075899714 441565664 /nfs/dbraw/zinc/56/56/64/441565664.db2.gz DCMQJWGEKHEOAY-GOSISDBHSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](CCO)c2ccccc2)CC1 ZINC000075899714 441565671 /nfs/dbraw/zinc/56/56/71/441565671.db2.gz DCMQJWGEKHEOAY-GOSISDBHSA-N 2 1 333.476 1.642 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000090178787 441625299 /nfs/dbraw/zinc/62/52/99/441625299.db2.gz PEQYMGWOUWIKIT-NCOADZHNSA-N 2 1 337.508 1.865 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000090178787 441625302 /nfs/dbraw/zinc/62/53/02/441625302.db2.gz PEQYMGWOUWIKIT-NCOADZHNSA-N 2 1 337.508 1.865 20 0 EDADMP O[C@@H]1C[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+](Cc2ccccc2)C1 ZINC000090913782 441645449 /nfs/dbraw/zinc/64/54/49/441645449.db2.gz XMZDURYVJXGYTD-UAFMIMERSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@@H]1C[C@H](CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)[N@H+](Cc2ccccc2)C1 ZINC000090913782 441645453 /nfs/dbraw/zinc/64/54/53/441645453.db2.gz XMZDURYVJXGYTD-UAFMIMERSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@@H]1C[C@H](CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)[N@@H+](Cc2ccccc2)C1 ZINC000090913782 441645457 /nfs/dbraw/zinc/64/54/57/441645457.db2.gz XMZDURYVJXGYTD-UAFMIMERSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N(Cc2ccccc2)C1 ZINC000090913782 441645460 /nfs/dbraw/zinc/64/54/60/441645460.db2.gz XMZDURYVJXGYTD-UAFMIMERSA-N 2 1 329.488 1.838 20 0 EDADMP O[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)N(Cc2ccccc2)C1 ZINC000090913782 441645463 /nfs/dbraw/zinc/64/54/63/441645463.db2.gz XMZDURYVJXGYTD-UAFMIMERSA-N 2 1 329.488 1.838 20 0 EDADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCOCC1 ZINC000092821079 441828870 /nfs/dbraw/zinc/82/88/70/441828870.db2.gz IGSLAYHZRAJKOD-UHFFFAOYSA-N 2 1 346.475 1.479 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000122218711 441840329 /nfs/dbraw/zinc/84/03/29/441840329.db2.gz ZRLFNXXRLPMVJP-NUJGCVRESA-N 2 1 345.487 1.590 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000122218711 441840334 /nfs/dbraw/zinc/84/03/34/441840334.db2.gz ZRLFNXXRLPMVJP-NUJGCVRESA-N 2 1 345.487 1.590 20 0 EDADMP CC[N@@H+](C)CCNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000116763315 441840598 /nfs/dbraw/zinc/84/05/98/441840598.db2.gz UETFFAQSXVEIFW-UHFFFAOYSA-N 2 1 332.492 1.657 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CCCC3)C2)C1 ZINC000174272139 441908779 /nfs/dbraw/zinc/90/87/79/441908779.db2.gz COMQDDMZBCWXHC-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC3(CCCC3)C2)C1 ZINC000174272139 441908786 /nfs/dbraw/zinc/90/87/86/441908786.db2.gz COMQDDMZBCWXHC-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC3(CCCC3)C2)C1 ZINC000174272139 441908792 /nfs/dbraw/zinc/90/87/92/441908792.db2.gz COMQDDMZBCWXHC-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)NC(N)=O ZINC000174155647 441894425 /nfs/dbraw/zinc/89/44/25/441894425.db2.gz IIGFQHPVEHBXCY-CYBMUJFWSA-N 2 1 344.415 1.585 20 0 EDADMP Cc1cc(N2CCC([N@H+](C)CC(=O)N3CCCC3)CC2)nc(C)[nH+]1 ZINC000125309095 442008972 /nfs/dbraw/zinc/00/89/72/442008972.db2.gz KLDPPXLUWXITFC-UHFFFAOYSA-N 2 1 331.464 1.616 20 0 EDADMP Cc1cc(N2CCC([N@@H+](C)CC(=O)N3CCCC3)CC2)nc(C)[nH+]1 ZINC000125309095 442008980 /nfs/dbraw/zinc/00/89/80/442008980.db2.gz KLDPPXLUWXITFC-UHFFFAOYSA-N 2 1 331.464 1.616 20 0 EDADMP COCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000175109949 442006519 /nfs/dbraw/zinc/00/65/19/442006519.db2.gz KCVSCGJOGQXXMY-QGZVFWFLSA-N 2 1 337.439 1.485 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000175109949 442006524 /nfs/dbraw/zinc/00/65/24/442006524.db2.gz KCVSCGJOGQXXMY-QGZVFWFLSA-N 2 1 337.439 1.485 20 0 EDADMP COCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000175109949 442006526 /nfs/dbraw/zinc/00/65/26/442006526.db2.gz KCVSCGJOGQXXMY-QGZVFWFLSA-N 2 1 337.439 1.485 20 0 EDADMP COCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000175109949 442006529 /nfs/dbraw/zinc/00/65/29/442006529.db2.gz KCVSCGJOGQXXMY-QGZVFWFLSA-N 2 1 337.439 1.485 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000120524615 442089149 /nfs/dbraw/zinc/08/91/49/442089149.db2.gz AZXIGQMTLHLCJB-XLIONFOSSA-N 2 1 344.503 1.703 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000164848235 442203723 /nfs/dbraw/zinc/20/37/23/442203723.db2.gz OUZYEPPCQWJVFW-FCEWJHQRSA-N 2 1 345.487 1.769 20 0 EDADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1 ZINC000165341854 442208566 /nfs/dbraw/zinc/20/85/66/442208566.db2.gz OORYQONGLOMLMV-JKSUJKDBSA-N 2 1 328.416 1.716 20 0 EDADMP O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@@H]1CSC[NH2+]1 ZINC000168100892 442222947 /nfs/dbraw/zinc/22/29/47/442222947.db2.gz ZUMIBDIRBPLVPY-DLBZAZTESA-N 2 1 349.500 1.211 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000168630914 442224321 /nfs/dbraw/zinc/22/43/21/442224321.db2.gz YTXMSSXXVSSCFQ-HNNXBMFYSA-N 2 1 336.505 1.786 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000168620651 442224504 /nfs/dbraw/zinc/22/45/04/442224504.db2.gz ZHLZCNOOJWSYSJ-OAHLLOKOSA-N 2 1 336.505 1.779 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000152552637 442225509 /nfs/dbraw/zinc/22/55/09/442225509.db2.gz NQUFFBWMLUHEHB-FUHWJXTLSA-N 2 1 337.439 1.219 20 0 EDADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000152552637 442225511 /nfs/dbraw/zinc/22/55/11/442225511.db2.gz NQUFFBWMLUHEHB-FUHWJXTLSA-N 2 1 337.439 1.219 20 0 EDADMP CC[NH+](CC)CCNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000127901124 442232539 /nfs/dbraw/zinc/23/25/39/442232539.db2.gz LCATUCGKUJGFGO-GASCZTMLSA-N 2 1 328.501 1.515 20 0 EDADMP CC[NH+](CC)CCNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000127901124 442232542 /nfs/dbraw/zinc/23/25/42/442232542.db2.gz LCATUCGKUJGFGO-GASCZTMLSA-N 2 1 328.501 1.515 20 0 EDADMP CN(C)C(=O)c1cccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000129163505 442304344 /nfs/dbraw/zinc/30/43/44/442304344.db2.gz DXROFSVCGATGAK-QGZVFWFLSA-N 2 1 331.460 1.543 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000153506374 442286589 /nfs/dbraw/zinc/28/65/89/442286589.db2.gz ZWZKJIXJFJCULD-INIZCTEOSA-N 2 1 340.512 1.349 20 0 EDADMP C[N@@H+](CC(=O)N1CCN(CCc2ccccc2)CC1)[C@@H]1CCSC1 ZINC000153786612 442302743 /nfs/dbraw/zinc/30/27/43/442302743.db2.gz QYLPUFSZWBPTSK-GOSISDBHSA-N 2 1 347.528 1.811 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+]2CCOC)CC1 ZINC000153033064 442257403 /nfs/dbraw/zinc/25/74/03/442257403.db2.gz GYZCMUYBDVXZEM-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CCC[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000153033064 442257405 /nfs/dbraw/zinc/25/74/05/442257405.db2.gz GYZCMUYBDVXZEM-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CCC[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000153033064 442257407 /nfs/dbraw/zinc/25/74/07/442257407.db2.gz GYZCMUYBDVXZEM-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CC[N@@H+](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1)C1CC1 ZINC000154741044 442354234 /nfs/dbraw/zinc/35/42/34/442354234.db2.gz DTNHWGYSUCMGAF-JWTNVVGKSA-N 2 1 334.508 1.240 20 0 EDADMP CC[NH+](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CC1 ZINC000154741044 442354236 /nfs/dbraw/zinc/35/42/36/442354236.db2.gz DTNHWGYSUCMGAF-JWTNVVGKSA-N 2 1 334.508 1.240 20 0 EDADMP CC[NH+](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CC1 ZINC000154741044 442354239 /nfs/dbraw/zinc/35/42/39/442354239.db2.gz DTNHWGYSUCMGAF-JWTNVVGKSA-N 2 1 334.508 1.240 20 0 EDADMP CCCCNC(=O)[C@@H](C)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153951181 442312479 /nfs/dbraw/zinc/31/24/79/442312479.db2.gz DBFOBVMAFKVWQN-FGTMMUONSA-N 2 1 338.540 1.782 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000171788638 442381360 /nfs/dbraw/zinc/38/13/60/442381360.db2.gz GAOBXYUCJKCOIK-UHFFFAOYSA-N 2 1 347.507 1.849 20 0 EDADMP CCOC(=O)CCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000171931502 442391411 /nfs/dbraw/zinc/39/14/11/442391411.db2.gz ZCHWIIBDMFWJCB-UHFFFAOYSA-N 2 1 339.480 1.206 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@H](C)Cn2cc(Br)cn2)CC1 ZINC000154851031 442360353 /nfs/dbraw/zinc/36/03/53/442360353.db2.gz YBXJZUBZORTWRY-GFCCVEGCSA-N 2 1 345.285 1.735 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000191521027 442458482 /nfs/dbraw/zinc/45/84/82/442458482.db2.gz CMKHQUXIFKDRBX-CVEARBPZSA-N 2 1 336.480 1.841 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000191521027 442458486 /nfs/dbraw/zinc/45/84/86/442458486.db2.gz CMKHQUXIFKDRBX-CVEARBPZSA-N 2 1 336.480 1.841 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000178666298 442454133 /nfs/dbraw/zinc/45/41/33/442454133.db2.gz QHXGKCVQVJVUEK-JQHSSLGASA-N 2 1 333.476 1.796 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000178826173 442496429 /nfs/dbraw/zinc/49/64/29/442496429.db2.gz DPOKXDSFRSCKFT-VQIMIIECSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000178826173 442496434 /nfs/dbraw/zinc/49/64/34/442496434.db2.gz DPOKXDSFRSCKFT-VQIMIIECSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)C[NH+]1CCCC1 ZINC000172607285 442502495 /nfs/dbraw/zinc/50/24/95/442502495.db2.gz ZMFHGTXFXDFLKA-MRXNPFEDSA-N 2 1 340.512 1.207 20 0 EDADMP CC[NH+](CC)CCC[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000191793305 442512523 /nfs/dbraw/zinc/51/25/23/442512523.db2.gz GSFHBDLCASIWHQ-UHFFFAOYSA-N 2 1 335.496 1.594 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCC3=CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000186358680 442519036 /nfs/dbraw/zinc/51/90/36/442519036.db2.gz XAKDWZUDRURASL-IYBDPMFKSA-N 2 1 343.471 1.945 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCC3=CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000186358680 442519040 /nfs/dbraw/zinc/51/90/40/442519040.db2.gz XAKDWZUDRURASL-IYBDPMFKSA-N 2 1 343.471 1.945 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000192102900 442592873 /nfs/dbraw/zinc/59/28/73/442592873.db2.gz GAFIXUGFKKFZNI-LSDHHAIUSA-N 2 1 344.459 1.895 20 0 EDADMP CSC[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000135487983 442602693 /nfs/dbraw/zinc/60/26/93/442602693.db2.gz ABZHMQIAJYUYSE-CVEARBPZSA-N 2 1 343.537 1.287 20 0 EDADMP CSC[C@H]1CCC[NH+]1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000135487983 442602697 /nfs/dbraw/zinc/60/26/97/442602697.db2.gz ABZHMQIAJYUYSE-CVEARBPZSA-N 2 1 343.537 1.287 20 0 EDADMP CSC[C@H]1CCC[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000135487983 442602702 /nfs/dbraw/zinc/60/27/02/442602702.db2.gz ABZHMQIAJYUYSE-CVEARBPZSA-N 2 1 343.537 1.287 20 0 EDADMP C[NH+](C/C=C/C[N@H+](C)C1(C(N)=O)CCCC1)C1(C(N)=O)CCCC1 ZINC000180696426 442648976 /nfs/dbraw/zinc/64/89/76/442648976.db2.gz MLMDDGTZEBPTAR-BQYQJAHWSA-N 2 1 336.480 1.002 20 0 EDADMP CC[C@]1(CO)CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000187569218 442681527 /nfs/dbraw/zinc/68/15/27/442681527.db2.gz FGWGVBFCBLPALL-SFHVURJKSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1)[C@@H]([NH3+])c1ccccc1 ZINC000181383010 442693710 /nfs/dbraw/zinc/69/37/10/442693710.db2.gz WPNSGHVRVZHMHX-IAOVAPTHSA-N 2 1 327.432 1.229 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)C[C@H]2C1 ZINC000192531185 442659550 /nfs/dbraw/zinc/65/95/50/442659550.db2.gz LKRNZXWPHKGMIZ-KDURUIRLSA-N 2 1 342.487 1.068 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc2)CC1 ZINC000192531185 442659553 /nfs/dbraw/zinc/65/95/53/442659553.db2.gz LKRNZXWPHKGMIZ-KDURUIRLSA-N 2 1 342.487 1.068 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cc2)CC1 ZINC000192531185 442659556 /nfs/dbraw/zinc/65/95/56/442659556.db2.gz LKRNZXWPHKGMIZ-KDURUIRLSA-N 2 1 342.487 1.068 20 0 EDADMP OC(C[NH+](C[C@@H]1CCOC1)C1CC1)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000181780406 442715700 /nfs/dbraw/zinc/71/57/00/442715700.db2.gz UBIMGYGTKCULDQ-MCPYQZEQSA-N 2 1 338.492 1.349 20 0 EDADMP OC(C[NH+](C[C@H]1CCOC1)C1CC1)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000181780406 442715703 /nfs/dbraw/zinc/71/57/03/442715703.db2.gz UBIMGYGTKCULDQ-MCPYQZEQSA-N 2 1 338.492 1.349 20 0 EDADMP OC(C[NH+](C[C@H]1CCOC1)C1CC1)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000181780406 442715706 /nfs/dbraw/zinc/71/57/06/442715706.db2.gz UBIMGYGTKCULDQ-MCPYQZEQSA-N 2 1 338.492 1.349 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000193108319 442714022 /nfs/dbraw/zinc/71/40/22/442714022.db2.gz QWGBKLYTAMUHRA-ALOPSCKCSA-N 2 1 343.537 1.651 20 0 EDADMP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)ncn1 ZINC000246497486 442786717 /nfs/dbraw/zinc/78/67/17/442786717.db2.gz SKLVSHHZLSPFBK-CAOSSQGBSA-N 3 1 332.496 1.805 20 0 EDADMP C[N@@H+]1C[C@@H]2C[NH+](CCCCN3C(=O)c4ccccc4C3=O)C[C@@H]2C1 ZINC000193651959 442764146 /nfs/dbraw/zinc/76/41/46/442764146.db2.gz QTOTWHURCKEADK-GASCZTMLSA-N 2 1 327.428 1.556 20 0 EDADMP C[NH+]1C[C@@H]2C[N@@H+](CCCCN3C(=O)c4ccccc4C3=O)C[C@@H]2C1 ZINC000193651959 442764147 /nfs/dbraw/zinc/76/41/47/442764147.db2.gz QTOTWHURCKEADK-GASCZTMLSA-N 2 1 327.428 1.556 20 0 EDADMP C[NH+]1C[C@@H]2C[N@H+](CCCCN3C(=O)c4ccccc4C3=O)C[C@@H]2C1 ZINC000193651959 442764148 /nfs/dbraw/zinc/76/41/48/442764148.db2.gz QTOTWHURCKEADK-GASCZTMLSA-N 2 1 327.428 1.556 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H](C)[NH2+]1 ZINC000246886154 442819894 /nfs/dbraw/zinc/81/98/94/442819894.db2.gz IMQLBEHCRJXXGU-NUJGCVRESA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H](C)[NH2+]1 ZINC000246886154 442819899 /nfs/dbraw/zinc/81/98/99/442819899.db2.gz IMQLBEHCRJXXGU-NUJGCVRESA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000247221947 442842249 /nfs/dbraw/zinc/84/22/49/442842249.db2.gz BXPALNLFGPUWED-HOTGVXAUSA-N 2 1 340.512 1.110 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182892906 442842421 /nfs/dbraw/zinc/84/24/21/442842421.db2.gz IVPXGCAUXGXNRP-KSZLIROESA-N 2 1 338.540 1.782 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182892906 442842424 /nfs/dbraw/zinc/84/24/24/442842424.db2.gz IVPXGCAUXGXNRP-KSZLIROESA-N 2 1 338.540 1.782 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000268104136 442849736 /nfs/dbraw/zinc/84/97/36/442849736.db2.gz AXJCRNKCXFSBQW-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](C)CC2)C[NH+]1Cc1ccccc1 ZINC000268104136 442849739 /nfs/dbraw/zinc/84/97/39/442849739.db2.gz AXJCRNKCXFSBQW-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](C)CC2)C[NH+]1Cc1ccccc1 ZINC000268104136 442849741 /nfs/dbraw/zinc/84/97/41/442849741.db2.gz AXJCRNKCXFSBQW-WMZOPIPTSA-N 2 1 330.476 1.997 20 0 EDADMP CCOC[C@@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@@H](COCC)C2)C1 ZINC000248739544 442922929 /nfs/dbraw/zinc/92/29/29/442922929.db2.gz OTOGWWLTMNESKB-QZTJIDSGSA-N 2 1 342.524 1.844 20 0 EDADMP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000189423366 442950004 /nfs/dbraw/zinc/95/00/04/442950004.db2.gz ZZGPDDZIASTOJX-GOSISDBHSA-N 2 1 331.460 1.490 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000189423366 442950008 /nfs/dbraw/zinc/95/00/08/442950008.db2.gz ZZGPDDZIASTOJX-GOSISDBHSA-N 2 1 331.460 1.490 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000189423366 442950011 /nfs/dbraw/zinc/95/00/11/442950011.db2.gz ZZGPDDZIASTOJX-GOSISDBHSA-N 2 1 331.460 1.490 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000189423366 442950014 /nfs/dbraw/zinc/95/00/14/442950014.db2.gz ZZGPDDZIASTOJX-GOSISDBHSA-N 2 1 331.460 1.490 20 0 EDADMP C[C@@H]1C[N@@H+](C2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)CCO1 ZINC000183566122 442941285 /nfs/dbraw/zinc/94/12/85/442941285.db2.gz YEUZJUDOPNVBFE-CQSZACIVSA-N 2 1 332.448 1.473 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)CCO1 ZINC000183566122 442941288 /nfs/dbraw/zinc/94/12/88/442941288.db2.gz YEUZJUDOPNVBFE-CQSZACIVSA-N 2 1 332.448 1.473 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)C1(C)C ZINC000249058275 442947083 /nfs/dbraw/zinc/94/70/83/442947083.db2.gz FLEHTUHDJDDREW-ADAWSYLGSA-N 2 1 325.497 1.756 20 0 EDADMP CC[N@H+](CCNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000194942417 442970915 /nfs/dbraw/zinc/97/09/15/442970915.db2.gz OPMYQDHTURIJAS-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP CC[N@@H+](CCNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000194942417 442970917 /nfs/dbraw/zinc/97/09/17/442970917.db2.gz OPMYQDHTURIJAS-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+](CCNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000194942417 442970920 /nfs/dbraw/zinc/97/09/20/442970920.db2.gz OPMYQDHTURIJAS-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+](CCNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000194942417 442970923 /nfs/dbraw/zinc/97/09/23/442970923.db2.gz OPMYQDHTURIJAS-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194946189 442971342 /nfs/dbraw/zinc/97/13/42/442971342.db2.gz HBMCDTJWBZNGJQ-OAGGEKHMSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194946189 442971345 /nfs/dbraw/zinc/97/13/45/442971345.db2.gz HBMCDTJWBZNGJQ-OAGGEKHMSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194946189 442971349 /nfs/dbraw/zinc/97/13/49/442971349.db2.gz HBMCDTJWBZNGJQ-OAGGEKHMSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194946189 442971352 /nfs/dbraw/zinc/97/13/52/442971352.db2.gz HBMCDTJWBZNGJQ-OAGGEKHMSA-N 2 1 328.501 1.467 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194946189 442971354 /nfs/dbraw/zinc/97/13/54/442971354.db2.gz HBMCDTJWBZNGJQ-OAGGEKHMSA-N 2 1 328.501 1.467 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@@H]3CC[N@@H+](CC)C[C@H]3C)CC2)c1=O ZINC000252528086 443041125 /nfs/dbraw/zinc/04/11/25/443041125.db2.gz FBDFCCQEZIOYSW-NVXWUHKLSA-N 2 1 347.507 1.552 20 0 EDADMP CC(C)C[C@@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000236679305 443144601 /nfs/dbraw/zinc/14/46/01/443144601.db2.gz XCZMVAFCQBUZQV-ZWKOTPCHSA-N 2 1 333.476 1.592 20 0 EDADMP CCS(=O)(=O)NCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268829231 443121293 /nfs/dbraw/zinc/12/12/93/443121293.db2.gz VUQCJIPAJADGMJ-RDJZCZTQSA-N 2 1 339.505 1.568 20 0 EDADMP CCS(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268829231 443121298 /nfs/dbraw/zinc/12/12/98/443121298.db2.gz VUQCJIPAJADGMJ-RDJZCZTQSA-N 2 1 339.505 1.568 20 0 EDADMP [NH3+]C1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCOCC1 ZINC000261758329 443168249 /nfs/dbraw/zinc/16/82/49/443168249.db2.gz FQWSZKXVVZGKFF-KRWDZBQOSA-N 2 1 331.460 1.175 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261863074 443172406 /nfs/dbraw/zinc/17/24/06/443172406.db2.gz PWHKOVPJLUOOPQ-FGTMMUONSA-N 2 1 336.524 1.393 20 0 EDADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CCCCC1 ZINC000262400656 443193667 /nfs/dbraw/zinc/19/36/67/443193667.db2.gz OEIWTJFHIPASRM-OALUTQOASA-N 2 1 345.487 1.790 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262854028 443214643 /nfs/dbraw/zinc/21/46/43/443214643.db2.gz VRGGJPUIFBRGTQ-PMPSAXMXSA-N 2 1 333.480 1.658 20 0 EDADMP C[N@@H+]1CC[C@@H](c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)C1 ZINC000349933703 319038428 /nfs/dbraw/zinc/03/84/28/319038428.db2.gz AFPKKGYAWMDTKR-CQSZACIVSA-N 2 1 328.420 1.303 20 0 EDADMP C[N@H+]1CC[C@@H](c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)C1 ZINC000349933703 319038431 /nfs/dbraw/zinc/03/84/31/319038431.db2.gz AFPKKGYAWMDTKR-CQSZACIVSA-N 2 1 328.420 1.303 20 0 EDADMP C[N@@H+]1CC[C@H](c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)C1 ZINC000349933700 319038532 /nfs/dbraw/zinc/03/85/32/319038532.db2.gz AFPKKGYAWMDTKR-AWEZNQCLSA-N 2 1 328.420 1.303 20 0 EDADMP C[N@H+]1CC[C@H](c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)C1 ZINC000349933700 319038533 /nfs/dbraw/zinc/03/85/33/319038533.db2.gz AFPKKGYAWMDTKR-AWEZNQCLSA-N 2 1 328.420 1.303 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000383719869 319126149 /nfs/dbraw/zinc/12/61/49/319126149.db2.gz YDTNHHHEEGFYDR-ZCNNSNEGSA-N 2 1 331.504 1.753 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000383719869 319126150 /nfs/dbraw/zinc/12/61/50/319126150.db2.gz YDTNHHHEEGFYDR-ZCNNSNEGSA-N 2 1 331.504 1.753 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000383719869 319126152 /nfs/dbraw/zinc/12/61/52/319126152.db2.gz YDTNHHHEEGFYDR-ZCNNSNEGSA-N 3 1 331.504 1.753 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000410807548 319160241 /nfs/dbraw/zinc/16/02/41/319160241.db2.gz IIGSJAFSUDAEIK-INIZCTEOSA-N 2 1 340.512 1.119 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000413827683 319292162 /nfs/dbraw/zinc/29/21/62/319292162.db2.gz CCMAEGAJVCTAIW-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000413827683 319292165 /nfs/dbraw/zinc/29/21/65/319292165.db2.gz CCMAEGAJVCTAIW-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000413827683 319292166 /nfs/dbraw/zinc/29/21/66/319292166.db2.gz CCMAEGAJVCTAIW-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP CC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000413827683 319292168 /nfs/dbraw/zinc/29/21/68/319292168.db2.gz CCMAEGAJVCTAIW-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(F)(F)F ZINC000414535199 319328865 /nfs/dbraw/zinc/32/88/65/319328865.db2.gz XXVCWNCNHVFFHU-LBPRGKRZSA-N 2 1 331.386 1.907 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000414693546 319343181 /nfs/dbraw/zinc/34/31/81/319343181.db2.gz CCPHFAHPAWQWHK-OAHLLOKOSA-N 2 1 346.475 1.583 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000414692978 319343340 /nfs/dbraw/zinc/34/33/40/319343340.db2.gz BCNGSIHRVYSPAE-AWEZNQCLSA-N 2 1 332.448 1.193 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)C2(C)CC2)C1 ZINC000246134579 443270933 /nfs/dbraw/zinc/27/09/33/443270933.db2.gz MTPWRQUZPIZNFN-CVEARBPZSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@H](C)C2(C)CC2)C1 ZINC000246134579 443270938 /nfs/dbraw/zinc/27/09/38/443270938.db2.gz MTPWRQUZPIZNFN-CVEARBPZSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@H](C)C2(C)CC2)C1 ZINC000246134579 443270940 /nfs/dbraw/zinc/27/09/40/443270940.db2.gz MTPWRQUZPIZNFN-CVEARBPZSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCCO1 ZINC000415891496 319382009 /nfs/dbraw/zinc/38/20/09/319382009.db2.gz GPGYHRSFGRNWRX-OAHLLOKOSA-N 2 1 346.475 1.955 20 0 EDADMP Cc1ccc(N2CC[C@H](N3CCN(c4[nH+]ccn4C)CC3)C2=O)cc1 ZINC000266925915 443292179 /nfs/dbraw/zinc/29/21/79/443292179.db2.gz NFYXEHHZKCVXCA-KRWDZBQOSA-N 2 1 339.443 1.656 20 0 EDADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@H](C)O1 ZINC000246017210 443262797 /nfs/dbraw/zinc/26/27/97/443262797.db2.gz JEMQHEXGJKSMKL-YYIAUSFCSA-N 2 1 346.537 1.821 20 0 EDADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@H](C)O1 ZINC000246017210 443262799 /nfs/dbraw/zinc/26/27/99/443262799.db2.gz JEMQHEXGJKSMKL-YYIAUSFCSA-N 2 1 346.537 1.821 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000416934699 319478181 /nfs/dbraw/zinc/47/81/81/319478181.db2.gz DXUFZXODCSKHJK-IAGOWNOFSA-N 2 1 340.512 1.504 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)[NH+]1CCOCC1 ZINC000416954658 319484462 /nfs/dbraw/zinc/48/44/62/319484462.db2.gz LTDHJWRBQZFPMJ-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267290570 443407399 /nfs/dbraw/zinc/40/73/99/443407399.db2.gz XQOZQCIGWMWXMY-DFQSSKMNSA-N 2 1 347.503 1.495 20 0 EDADMP Cc1ccc2nc(CNC(=O)NCc3c[nH+]c(N(C)C)n3C)cn2c1 ZINC000267575180 443501314 /nfs/dbraw/zinc/50/13/14/443501314.db2.gz FJGJBCOPXDDAMR-UHFFFAOYSA-N 2 1 341.419 1.442 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000423842933 319821552 /nfs/dbraw/zinc/82/15/52/319821552.db2.gz LZSOPIOXRQUPTC-LJQANCHMSA-N 2 1 326.444 1.971 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC([C@@H](O)c3ccccc3)CC2)CC1 ZINC000283477002 443642756 /nfs/dbraw/zinc/64/27/56/443642756.db2.gz IUXMETUTXAYTCD-FQEVSTJZSA-N 2 1 345.487 1.596 20 0 EDADMP CCO[C@@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000449497764 320192855 /nfs/dbraw/zinc/19/28/55/320192855.db2.gz ROZWUNGAELEGNE-DOTOQJQBSA-N 2 1 333.480 1.475 20 0 EDADMP CCO[C@@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000449497764 320192856 /nfs/dbraw/zinc/19/28/56/320192856.db2.gz ROZWUNGAELEGNE-DOTOQJQBSA-N 2 1 333.480 1.475 20 0 EDADMP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000450242575 320216345 /nfs/dbraw/zinc/21/63/45/320216345.db2.gz LRYKSZLWTKLDCL-ZWKOTPCHSA-N 2 1 337.508 1.747 20 0 EDADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(S(N)(=O)=O)c1 ZINC000453405256 320263333 /nfs/dbraw/zinc/26/33/33/320263333.db2.gz QFNNDBDXXOXIPZ-ZDUSSCGKSA-N 2 1 325.478 1.859 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000455001532 320299043 /nfs/dbraw/zinc/29/90/43/320299043.db2.gz LZLVJZKBXNTZLH-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000457504480 320328649 /nfs/dbraw/zinc/32/86/49/320328649.db2.gz GUBHYEZFTZCAJQ-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000457504480 320328650 /nfs/dbraw/zinc/32/86/50/320328650.db2.gz GUBHYEZFTZCAJQ-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000457504480 320328651 /nfs/dbraw/zinc/32/86/51/320328651.db2.gz GUBHYEZFTZCAJQ-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000458602780 320338083 /nfs/dbraw/zinc/33/80/83/320338083.db2.gz UDJCXUBJWKSQSY-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CC(C)(CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)C[NH+]1CCCC1 ZINC000458697801 320338689 /nfs/dbraw/zinc/33/86/89/320338689.db2.gz NAXRHCAQNZBOLI-MRXNPFEDSA-N 2 1 340.512 1.254 20 0 EDADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458698203 320338704 /nfs/dbraw/zinc/33/87/04/320338704.db2.gz AGUHSFAPHXNPMC-DOTOQJQBSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458698203 320338705 /nfs/dbraw/zinc/33/87/05/320338705.db2.gz AGUHSFAPHXNPMC-DOTOQJQBSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458698203 320338706 /nfs/dbraw/zinc/33/87/06/320338706.db2.gz AGUHSFAPHXNPMC-DOTOQJQBSA-N 2 1 338.496 1.149 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCCOCC2)C[C@H]1C ZINC000458853125 320343185 /nfs/dbraw/zinc/34/31/85/320343185.db2.gz WFKXBGUIVLRNLZ-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCCOCC2)C[C@H]1C ZINC000458853125 320343186 /nfs/dbraw/zinc/34/31/86/320343186.db2.gz WFKXBGUIVLRNLZ-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCCOCC2)C[C@H]1C ZINC000458853125 320343187 /nfs/dbraw/zinc/34/31/87/320343187.db2.gz WFKXBGUIVLRNLZ-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000459808084 320349682 /nfs/dbraw/zinc/34/96/82/320349682.db2.gz RTXDONCHWRIICW-LSDHHAIUSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488395300 320358168 /nfs/dbraw/zinc/35/81/68/320358168.db2.gz HGMQDXMGADAOQK-BFYDXBDKSA-N 2 1 333.480 1.953 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488395300 320358169 /nfs/dbraw/zinc/35/81/69/320358169.db2.gz HGMQDXMGADAOQK-BFYDXBDKSA-N 2 1 333.480 1.953 20 0 EDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000494948935 320397480 /nfs/dbraw/zinc/39/74/80/320397480.db2.gz CQMKPEWDHIGCRX-RRFJBIMHSA-N 2 1 329.485 1.582 20 0 EDADMP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=[NH2+])NC2CCC2)CC1 ZINC000497116963 320418274 /nfs/dbraw/zinc/41/82/74/320418274.db2.gz DGQKSIMSNGCWFZ-UHFFFAOYSA-N 2 1 339.484 1.596 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CCCCO ZINC000276469567 443717561 /nfs/dbraw/zinc/71/75/61/443717561.db2.gz YRHUUDZPQDQUIG-KRWDZBQOSA-N 2 1 347.503 1.860 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000288173823 443793279 /nfs/dbraw/zinc/79/32/79/443793279.db2.gz PSAYAWYWUHWXRS-HHXXYDBFSA-N 2 1 348.491 1.261 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000298397288 443761486 /nfs/dbraw/zinc/76/14/86/443761486.db2.gz KPORSVFSYDSPPK-UHFFFAOYSA-N 2 1 333.476 1.981 20 0 EDADMP C[C@H](CN1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O)[N@H+](C)Cc1ccccc1 ZINC000288231025 443813784 /nfs/dbraw/zinc/81/37/84/443813784.db2.gz INGIYOTVVXVDSV-CJNGLKHVSA-N 2 1 341.415 1.393 20 0 EDADMP C[C@H](CN1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O)[N@@H+](C)Cc1ccccc1 ZINC000288231025 443813786 /nfs/dbraw/zinc/81/37/86/443813786.db2.gz INGIYOTVVXVDSV-CJNGLKHVSA-N 2 1 341.415 1.393 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000298639098 443825184 /nfs/dbraw/zinc/82/51/84/443825184.db2.gz AUWZTCVVPLWICW-OALUTQOASA-N 2 1 342.487 1.971 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298639098 443825188 /nfs/dbraw/zinc/82/51/88/443825188.db2.gz AUWZTCVVPLWICW-OALUTQOASA-N 2 1 342.487 1.971 20 0 EDADMP O=C(NCC[NH+]1CCc2ccccc2C1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298639098 443825192 /nfs/dbraw/zinc/82/51/92/443825192.db2.gz AUWZTCVVPLWICW-OALUTQOASA-N 2 1 342.487 1.971 20 0 EDADMP COC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000288656446 443947304 /nfs/dbraw/zinc/94/73/04/443947304.db2.gz BLDRWLOLIWSFHP-MRXNPFEDSA-N 2 1 339.867 1.781 20 0 EDADMP CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000299077534 443947764 /nfs/dbraw/zinc/94/77/64/443947764.db2.gz GOOSXFNFDFYZKW-UHFFFAOYSA-N 2 1 332.448 1.417 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000299077534 443947769 /nfs/dbraw/zinc/94/77/69/443947769.db2.gz GOOSXFNFDFYZKW-UHFFFAOYSA-N 2 1 332.448 1.417 20 0 EDADMP CC(C)[NH+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000299077534 443947772 /nfs/dbraw/zinc/94/77/72/443947772.db2.gz GOOSXFNFDFYZKW-UHFFFAOYSA-N 2 1 332.448 1.417 20 0 EDADMP CC(C)[NH+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000299077534 443947775 /nfs/dbraw/zinc/94/77/75/443947775.db2.gz GOOSXFNFDFYZKW-UHFFFAOYSA-N 2 1 332.448 1.417 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000285283104 443926242 /nfs/dbraw/zinc/92/62/42/443926242.db2.gz ZUTXXIVJRVYTRA-UHFFFAOYSA-N 2 1 348.491 1.083 20 0 EDADMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3c[nH+]ccc3N(C)C)C2)n(C)n1 ZINC000277807518 444045608 /nfs/dbraw/zinc/04/56/08/444045608.db2.gz YNPYRGOWTYVIGQ-MRXNPFEDSA-N 2 1 328.464 1.948 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000557116175 321000100 /nfs/dbraw/zinc/00/01/00/321000100.db2.gz ORYLHPALXJYPPC-WMZOPIPTSA-N 2 1 338.496 1.128 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C(=O)NCCC[NH+]1CCOCC1 ZINC000562179122 321047425 /nfs/dbraw/zinc/04/74/25/321047425.db2.gz JYLFFCWCVGIMIS-UHFFFAOYSA-N 2 1 326.485 1.226 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000564461646 321133225 /nfs/dbraw/zinc/13/32/25/321133225.db2.gz FMQXSUGKOGFLCI-LLVKDONJSA-N 2 1 344.431 1.598 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000564823882 321150349 /nfs/dbraw/zinc/15/03/49/321150349.db2.gz MYFXFKZXFJZLDK-YAJHFMINSA-N 3 1 347.503 1.749 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000564823882 321150351 /nfs/dbraw/zinc/15/03/51/321150351.db2.gz MYFXFKZXFJZLDK-YAJHFMINSA-N 3 1 347.503 1.749 20 0 EDADMP CN(C)c1ncccc1O[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000289273434 444093681 /nfs/dbraw/zinc/09/36/81/444093681.db2.gz FIMVGZTVYOFUJU-WBVHZDCISA-N 2 1 340.427 1.827 20 0 EDADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)COC)CC2)cs1 ZINC000565417374 321185960 /nfs/dbraw/zinc/18/59/60/321185960.db2.gz RYMOAHOPAFLVHQ-HNNXBMFYSA-N 2 1 327.494 1.514 20 0 EDADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000565660238 321195945 /nfs/dbraw/zinc/19/59/45/321195945.db2.gz XYBFJKHEAAAZFV-ZWKOTPCHSA-N 2 1 336.476 1.480 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000568183977 321279218 /nfs/dbraw/zinc/27/92/18/321279218.db2.gz HXJOBEVMTDBPRO-KRWDZBQOSA-N 2 1 341.459 1.449 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000568189409 321279661 /nfs/dbraw/zinc/27/96/61/321279661.db2.gz HIOFEOXGFMHGOS-BBWFWOEESA-N 2 1 347.507 1.922 20 0 EDADMP CC[NH2+]CCCNC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000568288226 321285980 /nfs/dbraw/zinc/28/59/80/321285980.db2.gz XSFLHVVMJWCWRY-SFHVURJKSA-N 2 1 332.492 1.944 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)CCCO1 ZINC000568968986 321312619 /nfs/dbraw/zinc/31/26/19/321312619.db2.gz YCJIJIJZAHEBAO-AWEZNQCLSA-N 2 1 336.823 1.982 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)CCCO1 ZINC000568968986 321312621 /nfs/dbraw/zinc/31/26/21/321312621.db2.gz YCJIJIJZAHEBAO-AWEZNQCLSA-N 2 1 336.823 1.982 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000569098448 321318577 /nfs/dbraw/zinc/31/85/77/321318577.db2.gz GEVZDDKWUREOIT-JLJPHGGASA-N 2 1 344.459 1.320 20 0 EDADMP C[C@]1(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000570028715 321334667 /nfs/dbraw/zinc/33/46/67/321334667.db2.gz KSJUXYVTUWDXGV-HKUYNNGSSA-N 2 1 330.476 1.950 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000570262934 321343045 /nfs/dbraw/zinc/34/30/45/321343045.db2.gz PKSQDKIHWLLXDL-HNNXBMFYSA-N 2 1 344.459 1.261 20 0 EDADMP C[C@H](C(=O)N1CCO[C@@H]2CC[NH+](C)C[C@H]21)[N@H+](C)Cc1ccccc1 ZINC000285989810 444170005 /nfs/dbraw/zinc/17/00/05/444170005.db2.gz YHBVQNIKBZTCOV-KBAYOESNSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@H](C(=O)N1CCO[C@@H]2CC[NH+](C)C[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000285989810 444170008 /nfs/dbraw/zinc/17/00/08/444170008.db2.gz YHBVQNIKBZTCOV-KBAYOESNSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@H](C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21)[NH+](C)Cc1ccccc1 ZINC000285989810 444170010 /nfs/dbraw/zinc/17/00/10/444170010.db2.gz YHBVQNIKBZTCOV-KBAYOESNSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@H](C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21)[NH+](C)Cc1ccccc1 ZINC000285989810 444170011 /nfs/dbraw/zinc/17/00/11/444170011.db2.gz YHBVQNIKBZTCOV-KBAYOESNSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@H]([NH2+]CCCn1cc(CO)nn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289886310 444215335 /nfs/dbraw/zinc/21/53/35/444215335.db2.gz SHOFNCBUDRVTGO-WMZOPIPTSA-N 2 1 343.475 1.661 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000305192549 444264157 /nfs/dbraw/zinc/26/41/57/444264157.db2.gz KHTKQTZCBAZKSD-MOPGFXCFSA-N 2 1 345.487 1.396 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000305192549 444264158 /nfs/dbraw/zinc/26/41/58/444264158.db2.gz KHTKQTZCBAZKSD-MOPGFXCFSA-N 2 1 345.487 1.396 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000305192549 444264159 /nfs/dbraw/zinc/26/41/59/444264159.db2.gz KHTKQTZCBAZKSD-MOPGFXCFSA-N 2 1 345.487 1.396 20 0 EDADMP Cc1cc(NC(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)cn2ccnc12 ZINC000296979835 444266609 /nfs/dbraw/zinc/26/66/09/444266609.db2.gz NWVNJTQFXZMDQG-KBPBESRZSA-N 2 1 331.420 1.562 20 0 EDADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@@H]1CCCC[C@@H]1O ZINC000305811198 444281862 /nfs/dbraw/zinc/28/18/62/444281862.db2.gz ICCQSOBRCSUSDZ-IRXDYDNUSA-N 2 1 333.480 1.211 20 0 EDADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@@H]1CCCC[C@@H]1O ZINC000305811198 444281863 /nfs/dbraw/zinc/28/18/63/444281863.db2.gz ICCQSOBRCSUSDZ-IRXDYDNUSA-N 2 1 333.480 1.211 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000310562112 444291958 /nfs/dbraw/zinc/29/19/58/444291958.db2.gz WBHXMHQASMJICS-MOPGFXCFSA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310562112 444291959 /nfs/dbraw/zinc/29/19/59/444291959.db2.gz WBHXMHQASMJICS-MOPGFXCFSA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310562112 444291960 /nfs/dbraw/zinc/29/19/60/444291960.db2.gz WBHXMHQASMJICS-MOPGFXCFSA-N 2 1 335.492 1.132 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccco1 ZINC000297894048 444351139 /nfs/dbraw/zinc/35/11/39/444351139.db2.gz RVXDOQKGILWYPE-LSDHHAIUSA-N 2 1 338.452 1.028 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1ccco1 ZINC000297894048 444351142 /nfs/dbraw/zinc/35/11/42/444351142.db2.gz RVXDOQKGILWYPE-LSDHHAIUSA-N 2 1 338.452 1.028 20 0 EDADMP CC(C)C[C@H](CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000325224442 444362860 /nfs/dbraw/zinc/36/28/60/444362860.db2.gz RQXJWVUVRSAVKR-OKZBNKHCSA-N 2 1 339.524 1.875 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000340506099 444415703 /nfs/dbraw/zinc/41/57/03/444415703.db2.gz SNHUKIXTAPEFCQ-XPGWFJOJSA-N 2 1 329.488 1.478 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340506099 444415706 /nfs/dbraw/zinc/41/57/06/444415706.db2.gz SNHUKIXTAPEFCQ-XPGWFJOJSA-N 2 1 329.488 1.478 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000340506099 444415708 /nfs/dbraw/zinc/41/57/08/444415708.db2.gz SNHUKIXTAPEFCQ-XPGWFJOJSA-N 2 1 329.488 1.478 20 0 EDADMP COc1cc2c(cc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)O[C@H](C)C2 ZINC000326992445 444379734 /nfs/dbraw/zinc/37/97/34/444379734.db2.gz BHILWMGNQZVGNQ-KGLIPLIRSA-N 2 1 347.459 1.306 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCSCC1 ZINC000337745184 444385163 /nfs/dbraw/zinc/38/51/63/444385163.db2.gz WMYFSEUNIIIFPW-OAHLLOKOSA-N 2 1 328.526 1.455 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCSCC1 ZINC000337745184 444385166 /nfs/dbraw/zinc/38/51/66/444385166.db2.gz WMYFSEUNIIIFPW-OAHLLOKOSA-N 2 1 328.526 1.455 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC[N@@H+]1C ZINC000329020760 444448148 /nfs/dbraw/zinc/44/81/48/444448148.db2.gz LYAHGZUEHAUDGF-ZFHGCVPZSA-N 2 1 331.464 1.297 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000329020760 444448150 /nfs/dbraw/zinc/44/81/50/444448150.db2.gz LYAHGZUEHAUDGF-ZFHGCVPZSA-N 2 1 331.464 1.297 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000337831021 444427702 /nfs/dbraw/zinc/42/77/02/444427702.db2.gz ZZNRAZDTGLZDJJ-YESZJQIVSA-N 2 1 340.512 1.517 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@H](O)CCOC(C)C)CC2)nc(C)[nH+]1 ZINC000580065496 322004179 /nfs/dbraw/zinc/00/41/79/322004179.db2.gz ZITRDLSSZHUJSJ-QGZVFWFLSA-N 2 1 336.480 1.828 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[N@@H+](C)C1CC1 ZINC000580171964 322017478 /nfs/dbraw/zinc/01/74/78/322017478.db2.gz HQTRMUSRFYVTRW-CYFGEWFFSA-N 2 1 334.508 1.922 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn(C(C)(C)C)nn2)CC1 ZINC000580269154 322028038 /nfs/dbraw/zinc/02/80/38/322028038.db2.gz WTZMHWPZKGSCRB-UHFFFAOYSA-N 2 1 343.435 1.432 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[NH+](Cc2ccccc2)C[C@H]1C ZINC000580462070 322055062 /nfs/dbraw/zinc/05/50/62/322055062.db2.gz PGHIKXLKRIBHNU-NSHGMRRFSA-N 2 1 349.519 1.520 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000580462070 322055064 /nfs/dbraw/zinc/05/50/64/322055064.db2.gz PGHIKXLKRIBHNU-NSHGMRRFSA-N 2 1 349.519 1.520 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000580462070 322055066 /nfs/dbraw/zinc/05/50/66/322055066.db2.gz PGHIKXLKRIBHNU-NSHGMRRFSA-N 2 1 349.519 1.520 20 0 EDADMP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000580657300 322079502 /nfs/dbraw/zinc/07/95/02/322079502.db2.gz MANNJXQSSPRNGM-CYBMUJFWSA-N 2 1 336.461 1.693 20 0 EDADMP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000580657300 322079505 /nfs/dbraw/zinc/07/95/05/322079505.db2.gz MANNJXQSSPRNGM-CYBMUJFWSA-N 2 1 336.461 1.693 20 0 EDADMP CCc1ccc(CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000340754088 444499821 /nfs/dbraw/zinc/49/98/21/444499821.db2.gz NNQPNSZYSYNLPG-UHFFFAOYSA-N 2 1 332.488 1.951 20 0 EDADMP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1ccccc1Cl ZINC000581131629 322140140 /nfs/dbraw/zinc/14/01/40/322140140.db2.gz NKODLFKNOFGHHL-OAHLLOKOSA-N 2 1 342.867 1.516 20 0 EDADMP CN1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000581676500 322208567 /nfs/dbraw/zinc/20/85/67/322208567.db2.gz ZHBDSDCEEGDRHX-IBGZPJMESA-N 2 1 331.460 1.176 20 0 EDADMP C[N@@H+]1CCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000581676500 322208569 /nfs/dbraw/zinc/20/85/69/322208569.db2.gz ZHBDSDCEEGDRHX-IBGZPJMESA-N 2 1 331.460 1.176 20 0 EDADMP C[NH+]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000581676500 322208574 /nfs/dbraw/zinc/20/85/74/322208574.db2.gz ZHBDSDCEEGDRHX-IBGZPJMESA-N 2 1 331.460 1.176 20 0 EDADMP C[NH+]1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000581676500 322208577 /nfs/dbraw/zinc/20/85/77/322208577.db2.gz ZHBDSDCEEGDRHX-IBGZPJMESA-N 2 1 331.460 1.176 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC[N@H+]1C[C@H](C)O ZINC000332291369 444508581 /nfs/dbraw/zinc/50/85/81/444508581.db2.gz STTXPKYVPLPPAS-YLFCFFPRSA-N 2 1 338.496 1.100 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH+]1C[C@H](C)O ZINC000332291369 444508584 /nfs/dbraw/zinc/50/85/84/444508584.db2.gz STTXPKYVPLPPAS-YLFCFFPRSA-N 2 1 338.496 1.100 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC[NH+]1C[C@H](C)O ZINC000332291369 444508586 /nfs/dbraw/zinc/50/85/86/444508586.db2.gz STTXPKYVPLPPAS-YLFCFFPRSA-N 2 1 338.496 1.100 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342135908 444527680 /nfs/dbraw/zinc/52/76/80/444527680.db2.gz QOTORXZJBCQLCT-RYQLBKOJSA-N 2 1 331.460 1.549 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342135908 444527685 /nfs/dbraw/zinc/52/76/85/444527685.db2.gz QOTORXZJBCQLCT-RYQLBKOJSA-N 2 1 331.460 1.549 20 0 EDADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000343706384 444534064 /nfs/dbraw/zinc/53/40/64/444534064.db2.gz GWYHOAATYDDXFM-JFIYKMOQSA-N 2 1 342.524 1.984 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000340863928 444549420 /nfs/dbraw/zinc/54/94/20/444549420.db2.gz WICPUYUSFZRHAN-NXHRZFHOSA-N 2 1 332.492 1.941 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000340949118 444591683 /nfs/dbraw/zinc/59/16/83/444591683.db2.gz CRCAVIURFBNEHT-DOTOQJQBSA-N 2 1 348.491 1.909 20 0 EDADMP CC(C)C[C@@H](CNc1ncnc2c1CN(C)CC2)[NH+]1CCOCC1 ZINC000329502092 444606223 /nfs/dbraw/zinc/60/62/23/444606223.db2.gz KQOGRIJDXFZEQY-HNNXBMFYSA-N 2 1 333.480 1.623 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000338299233 444618019 /nfs/dbraw/zinc/61/80/19/444618019.db2.gz YFGJOZAIMGVWCC-DOXZYTNZSA-N 2 1 331.460 1.693 20 0 EDADMP CC[NH+](CC)CCC[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000338306117 444622582 /nfs/dbraw/zinc/62/25/82/444622582.db2.gz XUQLSCULIQCHRJ-JKSUJKDBSA-N 2 1 341.475 1.954 20 0 EDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000338306117 444622586 /nfs/dbraw/zinc/62/25/86/444622586.db2.gz XUQLSCULIQCHRJ-JKSUJKDBSA-N 2 1 341.475 1.954 20 0 EDADMP C[NH+]1CCC(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)(N2CCOCC2)CC1 ZINC000333266279 444652189 /nfs/dbraw/zinc/65/21/89/444652189.db2.gz JNGYHTJFSHBAAK-OALUTQOASA-N 3 1 344.503 1.517 20 0 EDADMP C[NH+]1CCC(C[NH2+][C@H]2C[C@H](N)c3ccccc32)(N2CCOCC2)CC1 ZINC000333266279 444652192 /nfs/dbraw/zinc/65/21/92/444652192.db2.gz JNGYHTJFSHBAAK-OALUTQOASA-N 2 1 344.503 1.517 20 0 EDADMP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000341016590 444633932 /nfs/dbraw/zinc/63/39/32/444633932.db2.gz NRGGBJCXSGGSBJ-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000342340362 444641304 /nfs/dbraw/zinc/64/13/04/444641304.db2.gz QIGKYEKJIVGIAQ-LPHOPBHVSA-N 2 1 342.487 1.997 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000342340362 444641305 /nfs/dbraw/zinc/64/13/05/444641305.db2.gz QIGKYEKJIVGIAQ-LPHOPBHVSA-N 2 1 342.487 1.997 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000343968954 444701007 /nfs/dbraw/zinc/70/10/07/444701007.db2.gz BLAQILKWDHOWDU-CRAIPNDOSA-N 2 1 332.492 1.984 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCc1ccncc1OCCC[NH+](C)C ZINC000343968954 444701012 /nfs/dbraw/zinc/70/10/12/444701012.db2.gz BLAQILKWDHOWDU-CRAIPNDOSA-N 2 1 332.492 1.984 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000341172668 444709244 /nfs/dbraw/zinc/70/92/44/444709244.db2.gz UZFLPALSVFETJB-BBWFWOEESA-N 2 1 338.496 1.364 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000341172668 444709246 /nfs/dbraw/zinc/70/92/46/444709246.db2.gz UZFLPALSVFETJB-BBWFWOEESA-N 2 1 338.496 1.364 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1 ZINC000341172668 444709249 /nfs/dbraw/zinc/70/92/49/444709249.db2.gz UZFLPALSVFETJB-BBWFWOEESA-N 2 1 338.496 1.364 20 0 EDADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000343987071 444711394 /nfs/dbraw/zinc/71/13/94/444711394.db2.gz SDFIJPYTYRHNCF-MJGOQNOKSA-N 3 1 331.508 1.524 20 0 EDADMP CC[N@H+]1C[C@@H](C)[C@@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000343987071 444711397 /nfs/dbraw/zinc/71/13/97/444711397.db2.gz SDFIJPYTYRHNCF-MJGOQNOKSA-N 3 1 331.508 1.524 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CC[N@H+]1C ZINC000341185945 444716537 /nfs/dbraw/zinc/71/65/37/444716537.db2.gz BYFHZENWWRSRRB-HOTGVXAUSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC[NH+]1C ZINC000341185945 444716540 /nfs/dbraw/zinc/71/65/40/444716540.db2.gz BYFHZENWWRSRRB-HOTGVXAUSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC[NH+]1C ZINC000341185945 444716545 /nfs/dbraw/zinc/71/65/45/444716545.db2.gz BYFHZENWWRSRRB-HOTGVXAUSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000341185945 444716550 /nfs/dbraw/zinc/71/65/50/444716550.db2.gz BYFHZENWWRSRRB-HOTGVXAUSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000341185945 444716555 /nfs/dbraw/zinc/71/65/55/444716555.db2.gz BYFHZENWWRSRRB-HOTGVXAUSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1CC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)[C@H](n2cncn2)C1 ZINC000333758303 444694989 /nfs/dbraw/zinc/69/49/89/444694989.db2.gz ADQOLLJDJVIONG-ARZKPCJCSA-N 2 1 346.523 1.814 20 0 EDADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)NC1CCCCC1 ZINC000344120327 444792608 /nfs/dbraw/zinc/79/26/08/444792608.db2.gz DILRVABEUQFQBB-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)NC1CCCCC1 ZINC000344120327 444792609 /nfs/dbraw/zinc/79/26/09/444792609.db2.gz DILRVABEUQFQBB-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@](C)(O)C(F)(F)F ZINC000344124762 444794265 /nfs/dbraw/zinc/79/42/65/444794265.db2.gz HIPWRPNPKYHJIZ-AWEZNQCLSA-N 2 1 325.419 1.649 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)CC[N@H+]1C ZINC000341367913 444797995 /nfs/dbraw/zinc/79/79/95/444797995.db2.gz GGNYPFFDNDGQHU-GOEBONIOSA-N 2 1 349.479 1.304 20 0 EDADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000341340574 444785473 /nfs/dbraw/zinc/78/54/73/444785473.db2.gz DJBOTXKQUFKHGS-INIZCTEOSA-N 2 1 326.529 1.497 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000342943329 444956222 /nfs/dbraw/zinc/95/62/22/444956222.db2.gz PUBMOPHWSKVHRV-NVXWUHKLSA-N 2 1 345.491 1.806 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000338968773 444960749 /nfs/dbraw/zinc/96/07/49/444960749.db2.gz RAZIYGOFYTYWQF-KDURUIRLSA-N 2 1 345.487 1.818 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000338968773 444960754 /nfs/dbraw/zinc/96/07/54/444960754.db2.gz RAZIYGOFYTYWQF-KDURUIRLSA-N 2 1 345.487 1.818 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000341890591 445055603 /nfs/dbraw/zinc/05/56/03/445055603.db2.gz PUKMKZUFCAFYNB-CRAIPNDOSA-N 2 1 331.460 1.333 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000341890591 445055606 /nfs/dbraw/zinc/05/56/06/445055606.db2.gz PUKMKZUFCAFYNB-CRAIPNDOSA-N 2 1 331.460 1.333 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+]1CCC(C)CC1 ZINC000343092610 445057935 /nfs/dbraw/zinc/05/79/35/445057935.db2.gz CXFXADJJPBOIJA-MSOLQXFVSA-N 2 1 336.524 1.249 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000337402511 445063612 /nfs/dbraw/zinc/06/36/12/445063612.db2.gz KMCOMVQKUHXSRQ-OAHLLOKOSA-N 2 1 328.501 1.326 20 0 EDADMP CC[NH+]1CCC(NC(=O)NCCCCN2CC[NH+](CC)CC2)CC1 ZINC000337426937 445075737 /nfs/dbraw/zinc/07/57/37/445075737.db2.gz XEAFUMMBOUJESJ-UHFFFAOYSA-N 2 1 339.528 1.188 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000337353674 445044829 /nfs/dbraw/zinc/04/48/29/445044829.db2.gz BXGABIIPRVEWAU-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000337353674 445044832 /nfs/dbraw/zinc/04/48/32/445044832.db2.gz BXGABIIPRVEWAU-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000337546674 445130166 /nfs/dbraw/zinc/13/01/66/445130166.db2.gz MUBNBGXBGUKWLP-YYIAUSFCSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000337546674 445130168 /nfs/dbraw/zinc/13/01/68/445130168.db2.gz MUBNBGXBGUKWLP-YYIAUSFCSA-N 2 1 338.496 1.412 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NCCCOc3ccccc3F)C[C@H]21 ZINC000342082904 445162387 /nfs/dbraw/zinc/16/23/87/445162387.db2.gz JIABRVPSOCTVTN-ZMSDIMECSA-N 2 1 349.450 1.770 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342083882 445163463 /nfs/dbraw/zinc/16/34/63/445163463.db2.gz KZKOYASBCZTASG-VRKREXBASA-N 2 1 345.443 1.844 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342083882 445163466 /nfs/dbraw/zinc/16/34/66/445163466.db2.gz KZKOYASBCZTASG-VRKREXBASA-N 2 1 345.443 1.844 20 0 EDADMP C[NH+](CC(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCSC1 ZINC000345073390 445159937 /nfs/dbraw/zinc/15/99/37/445159937.db2.gz XKLYTXNHQILZOK-ULQDDVLXSA-N 2 1 333.501 1.638 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCC1=CC[N@H+](C)CC1)[NH+](C)C ZINC000343348434 445207149 /nfs/dbraw/zinc/20/71/49/445207149.db2.gz XXPCWVUOXOBWOC-QGZVFWFLSA-N 2 1 346.475 1.859 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)[NH+](C)C ZINC000343348434 445207150 /nfs/dbraw/zinc/20/71/50/445207150.db2.gz XXPCWVUOXOBWOC-QGZVFWFLSA-N 2 1 346.475 1.859 20 0 EDADMP CC(C)N1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C)[C@H]2c2ccnn2C)C1=O ZINC000346910793 445227753 /nfs/dbraw/zinc/22/77/53/445227753.db2.gz CWIOHASPKZSCKR-BPQIPLTHSA-N 2 1 347.507 1.744 20 0 EDADMP CC(C)N1CC[C@H](N(C)C[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1=O ZINC000346910793 445227754 /nfs/dbraw/zinc/22/77/54/445227754.db2.gz CWIOHASPKZSCKR-BPQIPLTHSA-N 2 1 347.507 1.744 20 0 EDADMP CN(CC(=O)N1CCCCC1)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346929081 445228294 /nfs/dbraw/zinc/22/82/94/445228294.db2.gz NKYZTQDKXQZIPY-QFBILLFUSA-N 2 1 347.507 1.747 20 0 EDADMP Cn1nccc1[C@H]1[C@H](C[N@H+](C)CC(=O)N2CCCCC2)CCCN1C ZINC000346929081 445228295 /nfs/dbraw/zinc/22/82/95/445228295.db2.gz NKYZTQDKXQZIPY-QFBILLFUSA-N 2 1 347.507 1.747 20 0 EDADMP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)CC(=O)N2CCCCC2)CCCN1C ZINC000346929081 445228296 /nfs/dbraw/zinc/22/82/96/445228296.db2.gz NKYZTQDKXQZIPY-QFBILLFUSA-N 2 1 347.507 1.747 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[N@@H+](C)C2CCCC2)[NH+](C)C1 ZINC000347083835 445231308 /nfs/dbraw/zinc/23/13/08/445231308.db2.gz CYDMKPPZKYHFIA-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[NH+](C)C2CCCC2)[N@H+](C)C1 ZINC000347083835 445231309 /nfs/dbraw/zinc/23/13/09/445231309.db2.gz CYDMKPPZKYHFIA-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[NH+](C)C2CCCC2)[N@@H+](C)C1 ZINC000347083835 445231311 /nfs/dbraw/zinc/23/13/11/445231311.db2.gz CYDMKPPZKYHFIA-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000354504787 445267582 /nfs/dbraw/zinc/26/75/82/445267582.db2.gz IGRBWZZNHXHLNA-ZDUSSCGKSA-N 2 1 332.448 1.415 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000354504787 445267585 /nfs/dbraw/zinc/26/75/85/445267585.db2.gz IGRBWZZNHXHLNA-ZDUSSCGKSA-N 2 1 332.448 1.415 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000354504787 445267586 /nfs/dbraw/zinc/26/75/86/445267586.db2.gz IGRBWZZNHXHLNA-ZDUSSCGKSA-N 2 1 332.448 1.415 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000354504787 445267589 /nfs/dbraw/zinc/26/75/89/445267589.db2.gz IGRBWZZNHXHLNA-ZDUSSCGKSA-N 2 1 332.448 1.415 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC000351635811 445251393 /nfs/dbraw/zinc/25/13/93/445251393.db2.gz QDSYQOPIZDCQPU-QZWWFDLISA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC000351635811 445251397 /nfs/dbraw/zinc/25/13/97/445251397.db2.gz QDSYQOPIZDCQPU-QZWWFDLISA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC000351635811 445251401 /nfs/dbraw/zinc/25/14/01/445251401.db2.gz QDSYQOPIZDCQPU-QZWWFDLISA-N 2 1 340.512 1.346 20 0 EDADMP O=C([C@@H]1CCN1Cc1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000354610228 445313179 /nfs/dbraw/zinc/31/31/79/445313179.db2.gz YPJUXXGXGAGRQW-IBGZPJMESA-N 2 1 343.471 1.584 20 0 EDADMP C[NH+](C)[C@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000348119130 445277519 /nfs/dbraw/zinc/27/75/19/445277519.db2.gz NBQCEUQVCMGAQW-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC([NH+]3CCCCC3)C2)[N@@H+](C)C1 ZINC000348434595 445289324 /nfs/dbraw/zinc/28/93/24/445289324.db2.gz JZQGWDAFKYYQGL-GQGLESIBSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000348272770 445335436 /nfs/dbraw/zinc/33/54/36/445335436.db2.gz BJRREBDBSDYVQN-INIZCTEOSA-N 2 1 345.487 1.743 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000348272770 445335441 /nfs/dbraw/zinc/33/54/41/445335441.db2.gz BJRREBDBSDYVQN-INIZCTEOSA-N 2 1 345.487 1.743 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351847551 445342322 /nfs/dbraw/zinc/34/23/22/445342322.db2.gz AJLLHVDBNFBHFE-WBVHZDCISA-N 2 1 333.476 1.899 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351847551 445342323 /nfs/dbraw/zinc/34/23/23/445342323.db2.gz AJLLHVDBNFBHFE-WBVHZDCISA-N 2 1 333.476 1.899 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000351851772 445343558 /nfs/dbraw/zinc/34/35/58/445343558.db2.gz MEYZZNHJPTZXJY-CHWSQXEVSA-N 2 1 325.840 1.504 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000351851772 445343559 /nfs/dbraw/zinc/34/35/59/445343559.db2.gz MEYZZNHJPTZXJY-CHWSQXEVSA-N 2 1 325.840 1.504 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000351859047 445345269 /nfs/dbraw/zinc/34/52/69/445345269.db2.gz ZOVLTPWRTUHSCQ-DZKIICNBSA-N 2 1 349.475 1.420 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000351859047 445345271 /nfs/dbraw/zinc/34/52/71/445345271.db2.gz ZOVLTPWRTUHSCQ-DZKIICNBSA-N 2 1 349.475 1.420 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000348822324 445401827 /nfs/dbraw/zinc/40/18/27/445401827.db2.gz ZGWSZFWBJJRMPK-SJORKVTESA-N 2 1 339.528 1.042 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000348857548 445417134 /nfs/dbraw/zinc/41/71/34/445417134.db2.gz WKNVFBNTIPLRPH-LBPRGKRZSA-N 2 1 332.452 1.494 20 0 EDADMP CC[NH+]1CCN(c2ccccc2CN2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357050309 445396082 /nfs/dbraw/zinc/39/60/82/445396082.db2.gz MEQTYIQEEYULTC-HKUYNNGSSA-N 2 1 328.504 1.870 20 0 EDADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000359728724 445396212 /nfs/dbraw/zinc/39/62/12/445396212.db2.gz QGXQDKSMHSBWFZ-HNNXBMFYSA-N 2 1 349.479 1.115 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCOC1C[NH2+]C1 ZINC000349007013 445474134 /nfs/dbraw/zinc/47/41/34/445474134.db2.gz UVWMYSHRKTUZJO-QGZVFWFLSA-N 2 1 331.460 1.345 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000348897478 445433023 /nfs/dbraw/zinc/43/30/23/445433023.db2.gz CLESPQVGIMNCSM-IBGZPJMESA-N 2 1 345.487 1.350 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000348897478 445433026 /nfs/dbraw/zinc/43/30/26/445433026.db2.gz CLESPQVGIMNCSM-IBGZPJMESA-N 2 1 345.487 1.350 20 0 EDADMP C[C@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[N@H+]1CCCC[C@H]1C ZINC000354959135 445436416 /nfs/dbraw/zinc/43/64/16/445436416.db2.gz NSUAKHGPRDGZPM-HUUCEWRRSA-N 2 1 326.485 1.005 20 0 EDADMP C[N@@H+]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)c2ccccc2C1 ZINC000362571374 445446258 /nfs/dbraw/zinc/44/62/58/445446258.db2.gz XCWJODIUBIJXRN-CYBMUJFWSA-N 2 1 325.416 1.579 20 0 EDADMP C[N@H+]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)c2ccccc2C1 ZINC000362571374 445446260 /nfs/dbraw/zinc/44/62/60/445446260.db2.gz XCWJODIUBIJXRN-CYBMUJFWSA-N 2 1 325.416 1.579 20 0 EDADMP CC[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000348937335 445448167 /nfs/dbraw/zinc/44/81/67/445448167.db2.gz VWKWQRBFEKJZBI-FUHWJXTLSA-N 2 1 337.508 1.678 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC000355360981 445456886 /nfs/dbraw/zinc/45/68/86/445456886.db2.gz HJKKCTSQYYUDJI-QZTJIDSGSA-N 2 1 331.460 1.683 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000357258521 445511747 /nfs/dbraw/zinc/51/17/47/445511747.db2.gz DWFPLEYXMXECJK-IRXDYDNUSA-N 2 1 325.497 1.678 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000357258521 445511750 /nfs/dbraw/zinc/51/17/50/445511750.db2.gz DWFPLEYXMXECJK-IRXDYDNUSA-N 2 1 325.497 1.678 20 0 EDADMP COc1cc([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)ccc1S(C)(=O)=O ZINC000360022176 445533313 /nfs/dbraw/zinc/53/33/13/445533313.db2.gz XITOAHHHAAOTRM-OCCSQVGLSA-N 2 1 349.456 1.961 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000359925326 445491778 /nfs/dbraw/zinc/49/17/78/445491778.db2.gz RICDQQDIZLLAMP-GVDBMIGSSA-N 2 1 342.528 1.857 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000359925326 445491781 /nfs/dbraw/zinc/49/17/81/445491781.db2.gz RICDQQDIZLLAMP-GVDBMIGSSA-N 2 1 342.528 1.857 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c(C)nn(C)c1OC ZINC000349071426 445493858 /nfs/dbraw/zinc/49/38/58/445493858.db2.gz GHHHPBNGGWADAN-MRXNPFEDSA-N 2 1 337.512 1.585 20 0 EDADMP CN(C[C@H](O)C[N@H+](C)C1CC1)C[C@H]1OCC[NH+](C)[C@@H]1c1ccccc1 ZINC000352115984 445503314 /nfs/dbraw/zinc/50/33/14/445503314.db2.gz QTTMGLVHNUJODE-XUVXKRRUSA-N 2 1 347.503 1.445 20 0 EDADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)C[C@H]1OCC[NH+](C)[C@@H]1c1ccccc1 ZINC000352115984 445503316 /nfs/dbraw/zinc/50/33/16/445503316.db2.gz QTTMGLVHNUJODE-XUVXKRRUSA-N 2 1 347.503 1.445 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@H]1OCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000352115984 445503318 /nfs/dbraw/zinc/50/33/18/445503318.db2.gz QTTMGLVHNUJODE-XUVXKRRUSA-N 2 1 347.503 1.445 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000352115984 445503320 /nfs/dbraw/zinc/50/33/20/445503320.db2.gz QTTMGLVHNUJODE-XUVXKRRUSA-N 2 1 347.503 1.445 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)c2ccco2)C1)C1CC1 ZINC000352116745 445504295 /nfs/dbraw/zinc/50/42/95/445504295.db2.gz ZPTRLLCJQOWCQG-HOCLYGCPSA-N 2 1 335.448 1.177 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)c2ccco2)C1)C1CC1 ZINC000352116745 445504298 /nfs/dbraw/zinc/50/42/98/445504298.db2.gz ZPTRLLCJQOWCQG-HOCLYGCPSA-N 2 1 335.448 1.177 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1)C1CC1 ZINC000352116745 445504299 /nfs/dbraw/zinc/50/42/99/445504299.db2.gz ZPTRLLCJQOWCQG-HOCLYGCPSA-N 2 1 335.448 1.177 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1)C1CC1 ZINC000352116745 445504302 /nfs/dbraw/zinc/50/43/02/445504302.db2.gz ZPTRLLCJQOWCQG-HOCLYGCPSA-N 2 1 335.448 1.177 20 0 EDADMP C[C@@H](Nc1cc[nH+]c(N2CCOCC2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000357681776 445575974 /nfs/dbraw/zinc/57/59/74/445575974.db2.gz BJJNRYQREIATIS-QAPCUYQASA-N 2 1 341.459 2.417 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000360126875 445582226 /nfs/dbraw/zinc/58/22/26/445582226.db2.gz WFKWBMXKUNGQTH-ARFHVFGLSA-N 2 1 326.485 1.077 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000360126875 445582231 /nfs/dbraw/zinc/58/22/31/445582231.db2.gz WFKWBMXKUNGQTH-ARFHVFGLSA-N 2 1 326.485 1.077 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000360164625 445605571 /nfs/dbraw/zinc/60/55/71/445605571.db2.gz SKWWNJMPIVYFHD-HNNXBMFYSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000360164625 445605575 /nfs/dbraw/zinc/60/55/75/445605575.db2.gz SKWWNJMPIVYFHD-HNNXBMFYSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000360164625 445605579 /nfs/dbraw/zinc/60/55/79/445605579.db2.gz SKWWNJMPIVYFHD-HNNXBMFYSA-N 2 1 340.512 1.071 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000362914488 445607938 /nfs/dbraw/zinc/60/79/38/445607938.db2.gz XMAVFCZXPATFRT-HZPDHXFCSA-N 2 1 332.448 1.474 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000356106335 445625187 /nfs/dbraw/zinc/62/51/87/445625187.db2.gz CVBKBSJMRWURED-INIZCTEOSA-N 2 1 338.496 1.412 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000357922781 445593875 /nfs/dbraw/zinc/59/38/75/445593875.db2.gz RIVBUODWTUKLFV-CVEARBPZSA-N 2 1 327.517 1.040 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000357922781 445593879 /nfs/dbraw/zinc/59/38/79/445593879.db2.gz RIVBUODWTUKLFV-CVEARBPZSA-N 2 1 327.517 1.040 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000357922781 445593882 /nfs/dbraw/zinc/59/38/82/445593882.db2.gz RIVBUODWTUKLFV-CVEARBPZSA-N 2 1 327.517 1.040 20 0 EDADMP CSC1(CNC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC[NH+](C)CC1 ZINC000357943160 445595261 /nfs/dbraw/zinc/59/52/61/445595261.db2.gz SIBQNPXNYBCXPZ-ZIAGYGMSSA-N 2 1 328.526 1.596 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000357983805 445597925 /nfs/dbraw/zinc/59/79/25/445597925.db2.gz IYKMFMUODWPCFE-ZACQAIPSSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000357983802 445598063 /nfs/dbraw/zinc/59/80/63/445598063.db2.gz IYKMFMUODWPCFE-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000353552460 445653652 /nfs/dbraw/zinc/65/36/52/445653652.db2.gz OUUBCQHKVGPWBG-BRWVUGGUSA-N 2 1 340.512 1.347 20 0 EDADMP COc1ccsc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000349826631 445690402 /nfs/dbraw/zinc/69/04/02/445690402.db2.gz FALVGFNPAMWSHB-CHWSQXEVSA-N 2 1 325.478 1.995 20 0 EDADMP COc1ccsc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000349826631 445690406 /nfs/dbraw/zinc/69/04/06/445690406.db2.gz FALVGFNPAMWSHB-CHWSQXEVSA-N 2 1 325.478 1.995 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000360330385 445697441 /nfs/dbraw/zinc/69/74/41/445697441.db2.gz UFQFUNURWZZZDP-RLLQIKCJSA-N 2 1 347.503 1.180 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C[C@@H](C)O1 ZINC000353695102 445713108 /nfs/dbraw/zinc/71/31/08/445713108.db2.gz PHRFIDIJAPZHOO-NCOADZHNSA-N 2 1 338.496 1.221 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000353699642 445714423 /nfs/dbraw/zinc/71/44/23/445714423.db2.gz FUVNVULDEXBZAC-QZTJIDSGSA-N 2 1 330.476 1.984 20 0 EDADMP C[NH+](C)CC1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000363338479 445771836 /nfs/dbraw/zinc/77/18/36/445771836.db2.gz GXIFYYAOGKVXIY-LJQANCHMSA-N 2 1 345.487 1.688 20 0 EDADMP C[NH+](C)CC1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000363338479 445771839 /nfs/dbraw/zinc/77/18/39/445771839.db2.gz GXIFYYAOGKVXIY-LJQANCHMSA-N 2 1 345.487 1.688 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000358698504 445725351 /nfs/dbraw/zinc/72/53/51/445725351.db2.gz XCSWHUNIUVLXEZ-NVXWUHKLSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358698504 445725355 /nfs/dbraw/zinc/72/53/55/445725355.db2.gz XCSWHUNIUVLXEZ-NVXWUHKLSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358698504 445725357 /nfs/dbraw/zinc/72/53/57/445725357.db2.gz XCSWHUNIUVLXEZ-NVXWUHKLSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000358711711 445734010 /nfs/dbraw/zinc/73/40/10/445734010.db2.gz URMDESZQJHWNGO-HHXXYDBFSA-N 2 1 346.475 1.188 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000358711711 445734013 /nfs/dbraw/zinc/73/40/13/445734013.db2.gz URMDESZQJHWNGO-HHXXYDBFSA-N 2 1 346.475 1.188 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000358711711 445734017 /nfs/dbraw/zinc/73/40/17/445734017.db2.gz URMDESZQJHWNGO-HHXXYDBFSA-N 2 1 346.475 1.188 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)[nH+]c1 ZINC000363247776 445738953 /nfs/dbraw/zinc/73/89/53/445738953.db2.gz UYPRKNPXXQDOBH-INIZCTEOSA-N 2 1 331.464 2.072 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)[nH+]c1 ZINC000363247776 445738955 /nfs/dbraw/zinc/73/89/55/445738955.db2.gz UYPRKNPXXQDOBH-INIZCTEOSA-N 2 1 331.464 2.072 20 0 EDADMP COc1cc2[nH+]c(N[C@H]3CC[N@H+](C)[C@H](C)C3)nc(N)c2cc1OC ZINC000361068324 445746967 /nfs/dbraw/zinc/74/69/67/445746967.db2.gz VHVCMBFZFSOZPP-MNOVXSKESA-N 2 1 331.420 1.546 20 0 EDADMP COc1cc2[nH+]c(N[C@H]3CC[N@@H+](C)[C@H](C)C3)nc(N)c2cc1OC ZINC000361068324 445746970 /nfs/dbraw/zinc/74/69/70/445746970.db2.gz VHVCMBFZFSOZPP-MNOVXSKESA-N 2 1 331.420 1.546 20 0 EDADMP CC(C)C[N@H+]1CCCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000363272448 445749964 /nfs/dbraw/zinc/74/99/64/445749964.db2.gz DLGPLHHAKXPVNI-UHFFFAOYSA-N 2 1 336.484 1.640 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000353811702 445767304 /nfs/dbraw/zinc/76/73/04/445767304.db2.gz FNHJBHZWQLQDMT-HOTGVXAUSA-N 2 1 332.496 1.143 20 0 EDADMP CC[N@H+]1C[C@H](C)N(Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000353811702 445767308 /nfs/dbraw/zinc/76/73/08/445767308.db2.gz FNHJBHZWQLQDMT-HOTGVXAUSA-N 2 1 332.496 1.143 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363417551 445795580 /nfs/dbraw/zinc/79/55/80/445795580.db2.gz JVKDZHLIWOYZFU-QZTJIDSGSA-N 2 1 336.524 1.489 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H](C)CC2(C)C)C1 ZINC000350286298 445807056 /nfs/dbraw/zinc/80/70/56/445807056.db2.gz LPDLANKTHPSPSP-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2C[C@@H](C)CC2(C)C)C1 ZINC000350286298 445807061 /nfs/dbraw/zinc/80/70/61/445807061.db2.gz LPDLANKTHPSPSP-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2C[C@@H](C)CC2(C)C)C1 ZINC000350286298 445807068 /nfs/dbraw/zinc/80/70/68/445807068.db2.gz LPDLANKTHPSPSP-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@@H]1CN(CC[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CCO1 ZINC000363538123 445850500 /nfs/dbraw/zinc/85/05/00/445850500.db2.gz MOALGXYELXTDPY-BRSBDYLESA-N 2 1 325.497 1.186 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000359013589 445888089 /nfs/dbraw/zinc/88/80/89/445888089.db2.gz BKGHXROTFNQDOI-SZVBFZGTSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000359013589 445888092 /nfs/dbraw/zinc/88/80/92/445888092.db2.gz BKGHXROTFNQDOI-SZVBFZGTSA-N 2 1 346.475 1.015 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000359013589 445888095 /nfs/dbraw/zinc/88/80/95/445888095.db2.gz BKGHXROTFNQDOI-SZVBFZGTSA-N 2 1 346.475 1.015 20 0 EDADMP NC(=O)N1CCCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000365986151 445943606 /nfs/dbraw/zinc/94/36/06/445943606.db2.gz FJDIJALQIVHGHJ-GOSISDBHSA-N 2 1 346.475 1.364 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+](CC)CC)C[C@@H]1[NH+]1CCOCC1 ZINC000350733101 445891738 /nfs/dbraw/zinc/89/17/38/445891738.db2.gz XEQOHFCBXDGCMB-ZACQAIPSSA-N 2 1 340.512 1.469 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000365952864 445924305 /nfs/dbraw/zinc/92/43/05/445924305.db2.gz USJXGQCUQRLIRD-LJQANCHMSA-N 2 1 348.535 1.489 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]1[C@H]1CCC[NH+]1C ZINC000369218575 446001280 /nfs/dbraw/zinc/00/12/80/446001280.db2.gz JLZQRZPVVZWBRK-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000369218575 446001287 /nfs/dbraw/zinc/00/12/87/446001287.db2.gz JLZQRZPVVZWBRK-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000369218575 446001292 /nfs/dbraw/zinc/00/12/92/446001292.db2.gz JLZQRZPVVZWBRK-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000583439616 326073482 /nfs/dbraw/zinc/07/34/82/326073482.db2.gz BUYHPOQHSBMUGU-JQHSSLGASA-N 2 1 330.476 1.879 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NC[C@@H]1CCC[NH2+]1 ZINC000583682551 326117302 /nfs/dbraw/zinc/11/73/02/326117302.db2.gz BDTGPNRJHXULJO-KRWDZBQOSA-N 2 1 332.448 1.070 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000351443685 446066805 /nfs/dbraw/zinc/06/68/05/446066805.db2.gz NGZCXYCSYNRNSA-YQQAZPJKSA-N 2 1 325.497 1.458 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351443685 446066811 /nfs/dbraw/zinc/06/68/11/446066811.db2.gz NGZCXYCSYNRNSA-YQQAZPJKSA-N 2 1 325.497 1.458 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351443685 446066817 /nfs/dbraw/zinc/06/68/17/446066817.db2.gz NGZCXYCSYNRNSA-YQQAZPJKSA-N 2 1 325.497 1.458 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351443685 446066822 /nfs/dbraw/zinc/06/68/22/446066822.db2.gz NGZCXYCSYNRNSA-YQQAZPJKSA-N 2 1 325.497 1.458 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351443685 446066830 /nfs/dbraw/zinc/06/68/30/446066830.db2.gz NGZCXYCSYNRNSA-YQQAZPJKSA-N 2 1 325.497 1.458 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351443685 446066834 /nfs/dbraw/zinc/06/68/34/446066834.db2.gz NGZCXYCSYNRNSA-YQQAZPJKSA-N 2 1 325.497 1.458 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351443685 446066840 /nfs/dbraw/zinc/06/68/40/446066840.db2.gz NGZCXYCSYNRNSA-YQQAZPJKSA-N 2 1 325.497 1.458 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)C1 ZINC000365177714 446067271 /nfs/dbraw/zinc/06/72/71/446067271.db2.gz LWKLFLUQEUQJQS-SFHVURJKSA-N 2 1 337.508 1.632 20 0 EDADMP CCN1CCO[C@H](C[NH+]2CCN(CCC[NH+](CC)CC)CC2)C1 ZINC000365181358 446068500 /nfs/dbraw/zinc/06/85/00/446068500.db2.gz SKAOYVQHMDZHIL-SFHVURJKSA-N 2 1 326.529 1.057 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000366218359 446088592 /nfs/dbraw/zinc/08/85/92/446088592.db2.gz LMVYTJMTCNVNOD-GTAWCEEGSA-N 2 1 344.503 1.745 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000366218359 446088597 /nfs/dbraw/zinc/08/85/97/446088597.db2.gz LMVYTJMTCNVNOD-GTAWCEEGSA-N 2 1 344.503 1.745 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000366218359 446088603 /nfs/dbraw/zinc/08/86/03/446088603.db2.gz LMVYTJMTCNVNOD-GTAWCEEGSA-N 2 1 344.503 1.745 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000366218359 446088606 /nfs/dbraw/zinc/08/86/06/446088606.db2.gz LMVYTJMTCNVNOD-GTAWCEEGSA-N 2 1 344.503 1.745 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351476217 446076655 /nfs/dbraw/zinc/07/66/55/446076655.db2.gz KCCJCSLWEXNSFA-UHOSZYNNSA-N 2 1 345.487 1.802 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351476217 446076658 /nfs/dbraw/zinc/07/66/58/446076658.db2.gz KCCJCSLWEXNSFA-UHOSZYNNSA-N 2 1 345.487 1.802 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2Cn2cccn2)CC1 ZINC000369331478 446079066 /nfs/dbraw/zinc/07/90/66/446079066.db2.gz XDZAEDBIMPOULB-GOSISDBHSA-N 2 1 347.507 1.727 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC([N@@H+](C)CCO)CC1)[NH+]1CCCCC1 ZINC000351484053 446083906 /nfs/dbraw/zinc/08/39/06/446083906.db2.gz CDYVSJKPRWAOLL-QGZVFWFLSA-N 2 1 325.497 1.412 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000351498388 446103122 /nfs/dbraw/zinc/10/31/22/446103122.db2.gz VPUFTMZPTANQKI-MZGVZZPPSA-N 2 1 330.432 1.042 20 0 EDADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000351498388 446103125 /nfs/dbraw/zinc/10/31/25/446103125.db2.gz VPUFTMZPTANQKI-MZGVZZPPSA-N 2 1 330.432 1.042 20 0 EDADMP C[C@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)[N@@H+](C)C1CC1 ZINC000359283190 446118309 /nfs/dbraw/zinc/11/83/09/446118309.db2.gz GYNHQNNBMMFCDS-CQSZACIVSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000359284498 446119930 /nfs/dbraw/zinc/11/99/30/446119930.db2.gz HBUVZPWVUOMYFA-ARFHVFGLSA-N 2 1 340.512 1.164 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000359284498 446119937 /nfs/dbraw/zinc/11/99/37/446119937.db2.gz HBUVZPWVUOMYFA-ARFHVFGLSA-N 2 1 340.512 1.164 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000359284498 446119944 /nfs/dbraw/zinc/11/99/44/446119944.db2.gz HBUVZPWVUOMYFA-ARFHVFGLSA-N 2 1 340.512 1.164 20 0 EDADMP Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CSC[NH2+]3)CC2)cc1 ZINC000366336017 446160610 /nfs/dbraw/zinc/16/06/10/446160610.db2.gz YBRASPHHEAFHTH-KRWDZBQOSA-N 2 1 333.501 1.986 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000359351016 446168046 /nfs/dbraw/zinc/16/80/46/446168046.db2.gz MACDPHRSQVUSBR-DLBZAZTESA-N 2 1 330.476 1.695 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359351024 446168057 /nfs/dbraw/zinc/16/80/57/446168057.db2.gz MACDPHRSQVUSBR-SJORKVTESA-N 2 1 330.476 1.695 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCc2ccccc2)C1 ZINC000370259329 446200082 /nfs/dbraw/zinc/20/00/82/446200082.db2.gz GBHTZGYFCFBXCB-MOPGFXCFSA-N 2 1 345.487 1.530 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCc2ccccc2)C1 ZINC000370259329 446200090 /nfs/dbraw/zinc/20/00/90/446200090.db2.gz GBHTZGYFCFBXCB-MOPGFXCFSA-N 2 1 345.487 1.530 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCc2ccccc2)C1 ZINC000370259329 446200097 /nfs/dbraw/zinc/20/00/97/446200097.db2.gz GBHTZGYFCFBXCB-MOPGFXCFSA-N 2 1 345.487 1.530 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCc2ccccc2)C1 ZINC000370259329 446200102 /nfs/dbraw/zinc/20/01/02/446200102.db2.gz GBHTZGYFCFBXCB-MOPGFXCFSA-N 2 1 345.487 1.530 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)no1 ZINC000359406400 446204436 /nfs/dbraw/zinc/20/44/36/446204436.db2.gz JACXSDRXDCVITH-AWEZNQCLSA-N 2 1 336.436 1.063 20 0 EDADMP C[N@@H+](C[C@@H](O)CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C1CC1 ZINC000351612420 446207468 /nfs/dbraw/zinc/20/74/68/446207468.db2.gz WODKIQYNZGXIMZ-ZIAGYGMSSA-N 2 1 346.397 1.994 20 0 EDADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359477045 446247708 /nfs/dbraw/zinc/24/77/08/446247708.db2.gz VATRGZZPFLKFRK-BETUJISGSA-N 2 1 330.384 1.879 20 0 EDADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359477045 446247713 /nfs/dbraw/zinc/24/77/13/446247713.db2.gz VATRGZZPFLKFRK-BETUJISGSA-N 2 1 330.384 1.879 20 0 EDADMP C[N@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000373531017 446250129 /nfs/dbraw/zinc/25/01/29/446250129.db2.gz DGFSJRJSYDFHBK-IBGZPJMESA-N 2 1 334.460 1.097 20 0 EDADMP C[N@@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000373531017 446250133 /nfs/dbraw/zinc/25/01/33/446250133.db2.gz DGFSJRJSYDFHBK-IBGZPJMESA-N 2 1 334.460 1.097 20 0 EDADMP C[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000373531017 446250135 /nfs/dbraw/zinc/25/01/35/446250135.db2.gz DGFSJRJSYDFHBK-IBGZPJMESA-N 2 1 334.460 1.097 20 0 EDADMP C[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000373531017 446250138 /nfs/dbraw/zinc/25/01/38/446250138.db2.gz DGFSJRJSYDFHBK-IBGZPJMESA-N 2 1 334.460 1.097 20 0 EDADMP Cc1nc2c(s1)[C@@H]([N@H+](C)CCC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000373554001 446258827 /nfs/dbraw/zinc/25/88/27/446258827.db2.gz ISOZGIJUGHDBAK-HNNXBMFYSA-N 2 1 336.505 1.925 20 0 EDADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)CCC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000373554001 446258829 /nfs/dbraw/zinc/25/88/29/446258829.db2.gz ISOZGIJUGHDBAK-HNNXBMFYSA-N 2 1 336.505 1.925 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000365662375 446291517 /nfs/dbraw/zinc/29/15/17/446291517.db2.gz NSTJYHAOPXIUTO-UHFFFAOYSA-N 2 1 346.519 1.085 20 0 EDADMP CN(C)c1[nH+]cc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1C ZINC000362276424 446300215 /nfs/dbraw/zinc/30/02/15/446300215.db2.gz GKZLVAKBHNYFPU-MRXNPFEDSA-N 2 1 334.512 1.088 20 0 EDADMP CN(C)c1[nH+]cc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)n1C ZINC000362276424 446300218 /nfs/dbraw/zinc/30/02/18/446300218.db2.gz GKZLVAKBHNYFPU-MRXNPFEDSA-N 2 1 334.512 1.088 20 0 EDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CC(=O)N2CCOCC2)CC1 ZINC000370505693 446310119 /nfs/dbraw/zinc/31/01/19/446310119.db2.gz XGWLRFSGXFNQKW-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000365716592 446312863 /nfs/dbraw/zinc/31/28/63/446312863.db2.gz DGRHJFPQJINUFE-YESZJQIVSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H]1CN(c2cc(=O)n3ccccc3n2)CC[N@H+]1C1CCN(C)CC1 ZINC000362325183 446320400 /nfs/dbraw/zinc/32/04/00/446320400.db2.gz HIJOIYXFIAQGLY-HNNXBMFYSA-N 2 1 341.459 1.299 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000373677045 446299420 /nfs/dbraw/zinc/29/94/20/446299420.db2.gz SWWOALAQCVDBHG-UHFFFAOYSA-N 2 1 346.475 1.132 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000417408554 446350652 /nfs/dbraw/zinc/35/06/52/446350652.db2.gz UMVCYYROLWHDPH-QZTJIDSGSA-N 2 1 330.476 1.889 20 0 EDADMP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)cn2)CC1 ZINC000365816814 446353674 /nfs/dbraw/zinc/35/36/74/446353674.db2.gz NCIHKOBPPYNSLC-RDJZCZTQSA-N 2 1 343.475 1.646 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N(C)[C@H](C)C[NH3+] ZINC000417723808 446370627 /nfs/dbraw/zinc/37/06/27/446370627.db2.gz CNIWZZSPADGAJX-HZPDHXFCSA-N 2 1 333.480 1.186 20 0 EDADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000370676148 446382172 /nfs/dbraw/zinc/38/21/72/446382172.db2.gz IIUANWVTXWDAMY-LUKYLMHMSA-N 2 1 325.497 1.770 20 0 EDADMP CN1CC[C@@H](NC(=O)N2CCNCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417947031 446394369 /nfs/dbraw/zinc/39/43/69/446394369.db2.gz SVBZNKLIOZTHFE-HUUCEWRRSA-N 2 1 340.830 1.839 20 0 EDADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420244410 446429109 /nfs/dbraw/zinc/42/91/09/446429109.db2.gz DFJXCOIAEPSARK-CZUORRHYSA-N 2 1 343.427 1.442 20 0 EDADMP [NH3+]CCCOC1CC[NH+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000420287193 446452485 /nfs/dbraw/zinc/45/24/85/446452485.db2.gz HOQHNXWEHRVKPR-CYBMUJFWSA-N 2 1 337.386 1.370 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)ccc1C[NH+](C)C ZINC000411235953 446434896 /nfs/dbraw/zinc/43/48/96/446434896.db2.gz BIONIUPUCWOHOB-CQSZACIVSA-N 2 1 346.475 1.594 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)CC[C@@H]3CCCC[NH+]3C)CC2)cn1 ZINC000431796261 446435188 /nfs/dbraw/zinc/43/51/88/446435188.db2.gz JXFSFINEVMRYKH-SFHVURJKSA-N 2 1 347.507 1.719 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)CC[C@@H]3CCCC[NH+]3C)CC2)cn1 ZINC000431796261 446435196 /nfs/dbraw/zinc/43/51/96/446435196.db2.gz JXFSFINEVMRYKH-SFHVURJKSA-N 2 1 347.507 1.719 20 0 EDADMP Cn1cc(C[NH+]2CCCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000431796261 446435202 /nfs/dbraw/zinc/43/52/02/446435202.db2.gz JXFSFINEVMRYKH-SFHVURJKSA-N 2 1 347.507 1.719 20 0 EDADMP Cn1cc(C[NH+]2CCCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000431796261 446435210 /nfs/dbraw/zinc/43/52/10/446435210.db2.gz JXFSFINEVMRYKH-SFHVURJKSA-N 2 1 347.507 1.719 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431861680 446438333 /nfs/dbraw/zinc/43/83/33/446438333.db2.gz LXYBGYOULIBLQT-QGZVFWFLSA-N 2 1 325.497 1.820 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431861680 446438342 /nfs/dbraw/zinc/43/83/42/446438342.db2.gz LXYBGYOULIBLQT-QGZVFWFLSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000625571114 450432030 /nfs/dbraw/zinc/43/20/30/450432030.db2.gz RBBBCJITCVKZOZ-NZSAHSFTSA-N 2 1 344.503 1.084 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418101245 446440761 /nfs/dbraw/zinc/44/07/61/446440761.db2.gz FTEIUGXJOALLID-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000417996970 446411620 /nfs/dbraw/zinc/41/16/20/446411620.db2.gz REHFIOKVVKNNGB-ZTFGCOKTSA-N 2 1 346.475 1.050 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000418005203 446412063 /nfs/dbraw/zinc/41/20/63/446412063.db2.gz DEYGSNGUMZUTDP-SZVBFZGTSA-N 2 1 348.466 1.850 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000418005203 446412066 /nfs/dbraw/zinc/41/20/66/446412066.db2.gz DEYGSNGUMZUTDP-SZVBFZGTSA-N 2 1 348.466 1.850 20 0 EDADMP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418002393 446412134 /nfs/dbraw/zinc/41/21/34/446412134.db2.gz XRJSQLXIMCSSRK-MAUKXSAKSA-N 2 1 348.491 1.570 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418012121 446415611 /nfs/dbraw/zinc/41/56/11/446415611.db2.gz RTZJKABALPEISW-CGTJXYLNSA-N 2 1 330.476 1.887 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)NCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000370767322 446425788 /nfs/dbraw/zinc/42/57/88/446425788.db2.gz SVTWVBWJUBYILB-ZWKOTPCHSA-N 2 1 332.492 1.465 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC000418203339 446455392 /nfs/dbraw/zinc/45/53/92/446455392.db2.gz VMYIWRRAKHISCW-INIZCTEOSA-N 2 1 331.464 1.884 20 0 EDADMP COc1cc(OC)cc(-n2nnnc2C[N@H+](C)CC[C@H]2CC[NH2+]C2)c1 ZINC000420303492 446465659 /nfs/dbraw/zinc/46/56/59/446465659.db2.gz NNWOBOIZGAVTEJ-CYBMUJFWSA-N 2 1 346.435 1.111 20 0 EDADMP COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)CC[C@H]2CC[NH2+]C2)c1 ZINC000420303492 446465664 /nfs/dbraw/zinc/46/56/64/446465664.db2.gz NNWOBOIZGAVTEJ-CYBMUJFWSA-N 2 1 346.435 1.111 20 0 EDADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000423260177 446467386 /nfs/dbraw/zinc/46/73/86/446467386.db2.gz GTTFZJASWQZRHB-LRDDRELGSA-N 2 1 325.478 1.892 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCCCC1 ZINC000452799576 446474804 /nfs/dbraw/zinc/47/48/04/446474804.db2.gz UADGRAKJUOCYHV-IRXDYDNUSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@H]1[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000418191165 446453757 /nfs/dbraw/zinc/45/37/57/446453757.db2.gz KKYGMACMSOVUKI-DZJNRPSUSA-N 2 1 328.460 1.510 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323109 446490184 /nfs/dbraw/zinc/49/01/84/446490184.db2.gz FRZYXNKYZYDXHY-LZLYRXPVSA-N 2 1 345.487 1.940 20 0 EDADMP Cc1ccccc1CCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420325134 446491231 /nfs/dbraw/zinc/49/12/31/446491231.db2.gz IGBGGNQRACYGQR-GOSISDBHSA-N 2 1 345.487 1.341 20 0 EDADMP Cc1ccccc1CCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420325134 446491237 /nfs/dbraw/zinc/49/12/37/446491237.db2.gz IGBGGNQRACYGQR-GOSISDBHSA-N 2 1 345.487 1.341 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423370438 446505330 /nfs/dbraw/zinc/50/53/30/446505330.db2.gz DHYWKICVEAEWRI-IHRRRGAJSA-N 2 1 325.478 1.742 20 0 EDADMP CN(C(=O)NCCC[NH3+])[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000418349618 446509350 /nfs/dbraw/zinc/50/93/50/446509350.db2.gz KRXOZSNEHOMIBE-IAGOWNOFSA-N 2 1 339.528 1.314 20 0 EDADMP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420340276 446511909 /nfs/dbraw/zinc/51/19/09/446511909.db2.gz ZVARFRDSOQRCOA-CVEARBPZSA-N 2 1 345.443 1.733 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2NCCCC2(C)C)CC[NH2+]CC1 ZINC000423388063 446512103 /nfs/dbraw/zinc/51/21/03/446512103.db2.gz MOVBIZVYHHVFBS-GJZGRUSLSA-N 2 1 325.497 1.676 20 0 EDADMP CCOC(=O)C1([C@H](C)NC[C@@H]2[NH2+]CCCC2(C)C)CC[NH2+]CC1 ZINC000423388063 446512111 /nfs/dbraw/zinc/51/21/11/446512111.db2.gz MOVBIZVYHHVFBS-GJZGRUSLSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418360936 446513372 /nfs/dbraw/zinc/51/33/72/446513372.db2.gz KPSMIRDWNNOQQX-DOTOQJQBSA-N 2 1 339.528 1.219 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343115 446515694 /nfs/dbraw/zinc/51/56/94/446515694.db2.gz RCLIZTFWIANHPN-XLMAVXFVSA-N 2 1 343.471 1.946 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)C[C@@H]1Cc1ccccc1 ZINC000418318082 446497588 /nfs/dbraw/zinc/49/75/88/446497588.db2.gz NHDYFPZBKZXCEY-ROUUACIJSA-N 2 1 330.476 1.554 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)C[C@@H]1Cc1ccccc1 ZINC000418318082 446497592 /nfs/dbraw/zinc/49/75/92/446497592.db2.gz NHDYFPZBKZXCEY-ROUUACIJSA-N 2 1 330.476 1.554 20 0 EDADMP c1cc(-c2noc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc2c1OCO2 ZINC000420330460 446499198 /nfs/dbraw/zinc/49/91/98/446499198.db2.gz IDLIIZDJNIUXCR-OKILXGFUSA-N 2 1 342.399 1.897 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418368563 446517043 /nfs/dbraw/zinc/51/70/43/446517043.db2.gz MVNYEDJAWVOWGS-SJLPKXTDSA-N 2 1 330.476 1.902 20 0 EDADMP O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)N[C@@H]1CCCC[NH2+]C1 ZINC000418370552 446517704 /nfs/dbraw/zinc/51/77/04/446517704.db2.gz PSAHKUIFJKWPCU-FGTMMUONSA-N 2 1 346.475 1.063 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc2nsnc21 ZINC000420346602 446522043 /nfs/dbraw/zinc/52/20/43/446522043.db2.gz YWAVUKRWPLOSRD-OLZOCXBDSA-N 2 1 345.472 1.951 20 0 EDADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423435363 446535984 /nfs/dbraw/zinc/53/59/84/446535984.db2.gz SMVPZKLRNRWHGT-WBVHZDCISA-N 2 1 333.476 1.940 20 0 EDADMP [NH3+]C1CCN(CCCC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000433169368 446543591 /nfs/dbraw/zinc/54/35/91/446543591.db2.gz QWOUOLDYECIAOD-UHFFFAOYSA-N 2 1 338.540 1.962 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418448464 446545618 /nfs/dbraw/zinc/54/56/18/446545618.db2.gz CMZMXNVACCEHAM-FUHWJXTLSA-N 2 1 330.476 1.887 20 0 EDADMP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C1CC1 ZINC000420370343 446548372 /nfs/dbraw/zinc/54/83/72/446548372.db2.gz COXHANQVBQSCNR-GUYCJALGSA-N 2 1 346.479 1.163 20 0 EDADMP C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C1CC1 ZINC000420370343 446548382 /nfs/dbraw/zinc/54/83/82/446548382.db2.gz COXHANQVBQSCNR-GUYCJALGSA-N 2 1 346.479 1.163 20 0 EDADMP CCC[NH2+]CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418467189 446555150 /nfs/dbraw/zinc/55/51/50/446555150.db2.gz ICXCGFQHFCSKPA-QZTJIDSGSA-N 2 1 348.491 1.168 20 0 EDADMP O=C(NC[C@@H]1CC[NH2+]C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000418528456 446581821 /nfs/dbraw/zinc/58/18/21/446581821.db2.gz SDQSTJFIVPFOOV-MRXNPFEDSA-N 2 1 334.439 1.653 20 0 EDADMP O=C(NC[C@@H]1CC[NH2+]C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000418528456 446581826 /nfs/dbraw/zinc/58/18/26/446581826.db2.gz SDQSTJFIVPFOOV-MRXNPFEDSA-N 2 1 334.439 1.653 20 0 EDADMP C[C@@H](NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1)c1ccc2c(c1)CCCC2 ZINC000420407571 446581894 /nfs/dbraw/zinc/58/18/94/446581894.db2.gz UPCOUWBFOHEWTN-OAHLLOKOSA-N 2 1 345.487 1.528 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000367766921 446587239 /nfs/dbraw/zinc/58/72/39/446587239.db2.gz GVTUQADNBIWSCI-NVXWUHKLSA-N 2 1 344.459 1.239 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000418591696 446606538 /nfs/dbraw/zinc/60/65/38/446606538.db2.gz NQRPZOUAFAEUMX-NJAFHUGGSA-N 2 1 348.491 1.167 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000418668540 446641589 /nfs/dbraw/zinc/64/15/89/446641589.db2.gz IIDAYZQDRVLXGY-INDMIFKZSA-N 2 1 342.487 1.900 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000418689328 446648735 /nfs/dbraw/zinc/64/87/35/446648735.db2.gz FYIICWMFVIBXQG-HNNXBMFYSA-N 2 1 327.517 1.219 20 0 EDADMP CC[C@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@H+]1CCOC ZINC000418743343 446664921 /nfs/dbraw/zinc/66/49/21/446664921.db2.gz CXWMXUJHDZQVBS-CVEARBPZSA-N 2 1 326.485 1.271 20 0 EDADMP CCO[C@H]1C[C@@H]1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371096145 446626150 /nfs/dbraw/zinc/62/61/50/446626150.db2.gz ZNCIUZULKRBCEY-ROUUACIJSA-N 2 1 337.508 1.724 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)cn1 ZINC000423761129 446691249 /nfs/dbraw/zinc/69/12/49/446691249.db2.gz RCEMJFKJSCXPKJ-DLBZAZTESA-N 2 1 333.480 1.362 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)cn1 ZINC000423761129 446691251 /nfs/dbraw/zinc/69/12/51/446691251.db2.gz RCEMJFKJSCXPKJ-DLBZAZTESA-N 2 1 333.480 1.362 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000376748382 446693487 /nfs/dbraw/zinc/69/34/87/446693487.db2.gz ZALCFPBWWFTNHN-SFHVURJKSA-N 2 1 349.475 1.352 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)COC1CCC([NH3+])CC1 ZINC000423767227 446694824 /nfs/dbraw/zinc/69/48/24/446694824.db2.gz ABCJWHSWKOJRFI-HJZRJOMTSA-N 2 1 345.487 1.910 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1c1ccc(Cl)cc1 ZINC000423838662 446725996 /nfs/dbraw/zinc/72/59/96/446725996.db2.gz XTDHGFFLOAZSNZ-FXUDXRNXSA-N 2 1 337.851 1.708 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1c1ccc(Cl)cc1 ZINC000423838662 446726007 /nfs/dbraw/zinc/72/60/07/446726007.db2.gz XTDHGFFLOAZSNZ-FXUDXRNXSA-N 2 1 337.851 1.708 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)cn1 ZINC000423749896 446679762 /nfs/dbraw/zinc/67/97/62/446679762.db2.gz CTNNPSFJOLDEGW-ZWKOTPCHSA-N 2 1 347.507 1.845 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)cn1 ZINC000423749896 446679763 /nfs/dbraw/zinc/67/97/63/446679763.db2.gz CTNNPSFJOLDEGW-ZWKOTPCHSA-N 2 1 347.507 1.845 20 0 EDADMP COCC[NH2+]CC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423894606 446748270 /nfs/dbraw/zinc/74/82/70/446748270.db2.gz DZAFLQVEJARILV-AEFFLSMTSA-N 2 1 333.476 1.639 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000437859211 446767646 /nfs/dbraw/zinc/76/76/46/446767646.db2.gz NNYOPTUPPSMUNG-MSOLQXFVSA-N 2 1 334.508 1.290 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000437859211 446767651 /nfs/dbraw/zinc/76/76/51/446767651.db2.gz NNYOPTUPPSMUNG-MSOLQXFVSA-N 2 1 334.508 1.290 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000437859211 446767654 /nfs/dbraw/zinc/76/76/54/446767654.db2.gz NNYOPTUPPSMUNG-MSOLQXFVSA-N 2 1 334.508 1.290 20 0 EDADMP COCCn1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cn1 ZINC000371338031 446786450 /nfs/dbraw/zinc/78/64/50/446786450.db2.gz XZPOEMVXFLDADY-SFHVURJKSA-N 2 1 335.496 1.130 20 0 EDADMP COC1([C@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCC1 ZINC000412020165 446788082 /nfs/dbraw/zinc/78/80/82/446788082.db2.gz JXSBMHLBLFATIR-JKSUJKDBSA-N 2 1 341.496 1.007 20 0 EDADMP C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000423992146 446812082 /nfs/dbraw/zinc/81/20/82/446812082.db2.gz FWPOICRISVJRNT-QFBILLFUSA-N 2 1 344.503 1.491 20 0 EDADMP [NH3+][C@@H]1CC[C@@H](C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000424035369 446827601 /nfs/dbraw/zinc/82/76/01/446827601.db2.gz FPAMCAGKKNNIBD-IAGOWNOFSA-N 2 1 330.476 1.224 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(Cc2ccccn2)CC1 ZINC000368389321 446832095 /nfs/dbraw/zinc/83/20/95/446832095.db2.gz HHHIEYTWYSXSTK-AEFFLSMTSA-N 2 1 343.475 1.536 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420892878 446873169 /nfs/dbraw/zinc/87/31/69/446873169.db2.gz DBHNNUJTUJFMAS-JCYILVPMSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901418 446877463 /nfs/dbraw/zinc/87/74/63/446877463.db2.gz KBGOAQDUTIRDPG-MAUKXSAKSA-N 2 1 331.460 1.605 20 0 EDADMP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901418 446877466 /nfs/dbraw/zinc/87/74/66/446877466.db2.gz KBGOAQDUTIRDPG-MAUKXSAKSA-N 2 1 331.460 1.605 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000441936143 446883106 /nfs/dbraw/zinc/88/31/06/446883106.db2.gz WZHVXBWUXIOHFX-UHFFFAOYSA-N 2 1 346.475 1.282 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000442775475 446962850 /nfs/dbraw/zinc/96/28/50/446962850.db2.gz GJXCEZSFRXBNBV-HUUCEWRRSA-N 2 1 337.439 1.722 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000442775475 446962857 /nfs/dbraw/zinc/96/28/57/446962857.db2.gz GJXCEZSFRXBNBV-HUUCEWRRSA-N 2 1 337.439 1.722 20 0 EDADMP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000442772545 446963620 /nfs/dbraw/zinc/96/36/20/446963620.db2.gz AZSIFMKQUTXFQX-CVEARBPZSA-N 2 1 333.476 1.974 20 0 EDADMP CC(C)c1ccc(OCCNC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000442772545 446963625 /nfs/dbraw/zinc/96/36/25/446963625.db2.gz AZSIFMKQUTXFQX-CVEARBPZSA-N 2 1 333.476 1.974 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442777316 446965797 /nfs/dbraw/zinc/96/57/97/446965797.db2.gz IWKGVEAOHYRRCU-DZKIICNBSA-N 2 1 349.475 1.720 20 0 EDADMP CC[C@H](C(=O)N(C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1)[NH+](C)C ZINC000371973151 446978832 /nfs/dbraw/zinc/97/88/32/446978832.db2.gz IKPFNLGWMJTMPS-MRXNPFEDSA-N 2 1 333.480 1.861 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000424988160 446983499 /nfs/dbraw/zinc/98/34/99/446983499.db2.gz DVUNSFIVOTYJDC-KRWDZBQOSA-N 2 1 337.508 1.963 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000424988160 446983504 /nfs/dbraw/zinc/98/35/04/446983504.db2.gz DVUNSFIVOTYJDC-KRWDZBQOSA-N 2 1 337.508 1.963 20 0 EDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000443058985 447000363 /nfs/dbraw/zinc/00/03/63/447000363.db2.gz BPEJDMPGSDOZRS-GJZGRUSLSA-N 2 1 333.432 1.003 20 0 EDADMP CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443063093 447002077 /nfs/dbraw/zinc/00/20/77/447002077.db2.gz VUKLJHYMRWUTIE-HNNXBMFYSA-N 2 1 346.475 1.365 20 0 EDADMP C[C@H]1CN(C(=O)NCc2cnc3n2CCCC3)CC[N@H+]1CC(C)(C)O ZINC000377301509 447051200 /nfs/dbraw/zinc/05/12/00/447051200.db2.gz SAGKOZLTWKCHOQ-AWEZNQCLSA-N 2 1 349.479 1.206 20 0 EDADMP CS(=O)(=O)CCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377318819 447060838 /nfs/dbraw/zinc/06/08/38/447060838.db2.gz VDANLXYNOOUCLD-ROUUACIJSA-N 2 1 336.501 1.875 20 0 EDADMP CS(=O)(=O)CCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377318819 447060843 /nfs/dbraw/zinc/06/08/43/447060843.db2.gz VDANLXYNOOUCLD-ROUUACIJSA-N 2 1 336.501 1.875 20 0 EDADMP C[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000372464511 447066741 /nfs/dbraw/zinc/06/67/41/447066741.db2.gz QOEXJELXTYZTPB-DINLJIAVSA-N 2 1 337.508 1.756 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)c3ccccc3F)C2)CC1 ZINC000375908120 447139088 /nfs/dbraw/zinc/13/90/88/447139088.db2.gz VEIIXNADZNXVBE-VQIMIIECSA-N 2 1 335.467 1.959 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000372576961 447157112 /nfs/dbraw/zinc/15/71/12/447157112.db2.gz WIXLWOSLTSHMRN-INIZCTEOSA-N 2 1 340.512 1.349 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(N(C)C)n1C ZINC000425375759 447131901 /nfs/dbraw/zinc/13/19/01/447131901.db2.gz DIEMOEXAAPTGIE-INIZCTEOSA-N 2 1 336.528 1.334 20 0 EDADMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000377544900 447194689 /nfs/dbraw/zinc/19/46/89/447194689.db2.gz AMUHQFSHMNSZHO-OAHLLOKOSA-N 2 1 338.496 1.665 20 0 EDADMP C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000413482384 447196323 /nfs/dbraw/zinc/19/63/23/447196323.db2.gz VMMVSRBOXXUMGQ-QGZVFWFLSA-N 2 1 348.491 1.481 20 0 EDADMP C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000413482384 447196333 /nfs/dbraw/zinc/19/63/33/447196333.db2.gz VMMVSRBOXXUMGQ-QGZVFWFLSA-N 2 1 348.491 1.481 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000377564666 447208446 /nfs/dbraw/zinc/20/84/46/447208446.db2.gz PMBVOCLFMZVAOK-MRXNPFEDSA-N 2 1 339.480 1.382 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000425559314 447231029 /nfs/dbraw/zinc/23/10/29/447231029.db2.gz GPGKWVJREYZKAU-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000425560272 447231248 /nfs/dbraw/zinc/23/12/48/447231248.db2.gz JGBVVHFRBRSULJ-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000425560272 447231252 /nfs/dbraw/zinc/23/12/52/447231252.db2.gz JGBVVHFRBRSULJ-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000425560272 447231255 /nfs/dbraw/zinc/23/12/55/447231255.db2.gz JGBVVHFRBRSULJ-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@@H+]1CCO ZINC000455872751 447245466 /nfs/dbraw/zinc/24/54/66/447245466.db2.gz ZAXJOHYBGJXKEC-KDOFPFPSSA-N 2 1 346.475 1.766 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@H+]1CCO ZINC000455872751 447245473 /nfs/dbraw/zinc/24/54/73/447245473.db2.gz ZAXJOHYBGJXKEC-KDOFPFPSSA-N 2 1 346.475 1.766 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc(N(C)C)n2C)[C@H](C)C1 ZINC000414392174 447293625 /nfs/dbraw/zinc/29/36/25/447293625.db2.gz MIDOUYMAPPLPAW-WBVHZDCISA-N 2 1 337.512 1.713 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc(N(C)C)n2C)[C@H](C)C1 ZINC000414392174 447293632 /nfs/dbraw/zinc/29/36/32/447293632.db2.gz MIDOUYMAPPLPAW-WBVHZDCISA-N 2 1 337.512 1.713 20 0 EDADMP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C)n1 ZINC000377637388 447263147 /nfs/dbraw/zinc/26/31/47/447263147.db2.gz QVFXPCFMRGEVSO-QGZVFWFLSA-N 2 1 330.476 1.939 20 0 EDADMP Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000377637388 447263151 /nfs/dbraw/zinc/26/31/51/447263151.db2.gz QVFXPCFMRGEVSO-QGZVFWFLSA-N 2 1 330.476 1.939 20 0 EDADMP COCCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379631472 447453359 /nfs/dbraw/zinc/45/33/59/447453359.db2.gz MBKDDSKSKWVDBG-NZSAHSFTSA-N 2 1 336.476 1.653 20 0 EDADMP COCCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379631472 447453363 /nfs/dbraw/zinc/45/33/63/447453363.db2.gz MBKDDSKSKWVDBG-NZSAHSFTSA-N 2 1 336.476 1.653 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379647498 447454407 /nfs/dbraw/zinc/45/44/07/447454407.db2.gz KIGSTHPHEBPZCS-MISYRCLQSA-N 2 1 347.503 1.322 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000379647498 447454415 /nfs/dbraw/zinc/45/44/15/447454415.db2.gz KIGSTHPHEBPZCS-MISYRCLQSA-N 2 1 347.503 1.322 20 0 EDADMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)CCN(C)C)[NH+]1CCCCC1 ZINC000494850324 447460500 /nfs/dbraw/zinc/46/05/00/447460500.db2.gz KUCTUCNUYWTCCY-KRWDZBQOSA-N 2 1 326.529 1.497 20 0 EDADMP CC(C)[C@@H](C(=O)NCCCN(C)CC[NH+](C)C)[NH+]1CCCCC1 ZINC000494850324 447460508 /nfs/dbraw/zinc/46/05/08/447460508.db2.gz KUCTUCNUYWTCCY-KRWDZBQOSA-N 2 1 326.529 1.497 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458820135 447483207 /nfs/dbraw/zinc/48/32/07/447483207.db2.gz WNLKDKIDWHXXDV-HOTGVXAUSA-N 2 1 328.501 1.253 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458820135 447483211 /nfs/dbraw/zinc/48/32/11/447483211.db2.gz WNLKDKIDWHXXDV-HOTGVXAUSA-N 2 1 328.501 1.253 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458820135 447483213 /nfs/dbraw/zinc/48/32/13/447483213.db2.gz WNLKDKIDWHXXDV-HOTGVXAUSA-N 2 1 328.501 1.253 20 0 EDADMP COC[C@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000389881785 447487598 /nfs/dbraw/zinc/48/75/98/447487598.db2.gz OQOQRKUBTXTOEF-SUMDDJOVSA-N 2 1 331.460 1.249 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000458903628 447496766 /nfs/dbraw/zinc/49/67/66/447496766.db2.gz AZGXIZKAFLHHQR-IRXDYDNUSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000458903628 447496773 /nfs/dbraw/zinc/49/67/73/447496773.db2.gz AZGXIZKAFLHHQR-IRXDYDNUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC[NH2+]C1 ZINC000390940324 447506376 /nfs/dbraw/zinc/50/63/76/447506376.db2.gz QFTFPAGUOUXYCK-QUCCMNQESA-N 2 1 345.487 1.783 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)c2C1 ZINC000415543946 447507704 /nfs/dbraw/zinc/50/77/04/447507704.db2.gz YLXKNFVCJMXZIG-HNNXBMFYSA-N 2 1 330.432 1.204 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)c2C1 ZINC000415543946 447507713 /nfs/dbraw/zinc/50/77/13/447507713.db2.gz YLXKNFVCJMXZIG-HNNXBMFYSA-N 2 1 330.432 1.204 20 0 EDADMP C[N@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)C[C@H]1CCOC1 ZINC000494961271 447469641 /nfs/dbraw/zinc/46/96/41/447469641.db2.gz ZNFQOKVCILYGSW-OAHLLOKOSA-N 2 1 337.489 1.361 20 0 EDADMP COC[C@]1(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]C1 ZINC000396405348 447543190 /nfs/dbraw/zinc/54/31/90/447543190.db2.gz CYGXIPGDXGYTOQ-APWZRJJASA-N 2 1 331.460 1.345 20 0 EDADMP COC[C@]1(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]C1 ZINC000396405348 447543194 /nfs/dbraw/zinc/54/31/94/447543194.db2.gz CYGXIPGDXGYTOQ-APWZRJJASA-N 2 1 331.460 1.345 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000427271261 447571348 /nfs/dbraw/zinc/57/13/48/447571348.db2.gz COQUNUJWFOECNP-IBGZPJMESA-N 2 1 344.503 1.440 20 0 EDADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000404519274 447599709 /nfs/dbraw/zinc/59/97/09/447599709.db2.gz UZBAWYQDFBKWRP-LISAXSMJSA-N 2 1 331.460 1.485 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000416824883 447692206 /nfs/dbraw/zinc/69/22/06/447692206.db2.gz AJGDQMNWPKIFMX-FMKPAKJESA-N 2 1 334.464 1.677 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C[NH+]1CCCCC1 ZINC000457903872 447666921 /nfs/dbraw/zinc/66/69/21/447666921.db2.gz GAMGHLYOPULICM-SJORKVTESA-N 2 1 340.512 1.254 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000457929461 447675583 /nfs/dbraw/zinc/67/55/83/447675583.db2.gz JRWQBLGSWRHABL-IKGGRYGDSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000457929461 447675589 /nfs/dbraw/zinc/67/55/89/447675589.db2.gz JRWQBLGSWRHABL-IKGGRYGDSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000457929461 447675596 /nfs/dbraw/zinc/67/55/96/447675596.db2.gz JRWQBLGSWRHABL-IKGGRYGDSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C[NH3+] ZINC000422634404 447680837 /nfs/dbraw/zinc/68/08/37/447680837.db2.gz JOKLVJDGTVIWLL-VNHYZAJKSA-N 2 1 332.448 1.419 20 0 EDADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000457951847 447683993 /nfs/dbraw/zinc/68/39/93/447683993.db2.gz IRENTOSXAXKTLK-VVLHAWIVSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000457951847 447683999 /nfs/dbraw/zinc/68/39/99/447683999.db2.gz IRENTOSXAXKTLK-VVLHAWIVSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457951847 447684004 /nfs/dbraw/zinc/68/40/04/447684004.db2.gz IRENTOSXAXKTLK-VVLHAWIVSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457951847 447684011 /nfs/dbraw/zinc/68/40/11/447684011.db2.gz IRENTOSXAXKTLK-VVLHAWIVSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000416948187 447722529 /nfs/dbraw/zinc/72/25/29/447722529.db2.gz YXBGIYTWMAOWJN-SJORKVTESA-N 2 1 340.512 1.422 20 0 EDADMP Cc1cccc(N2CCC([NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)CC2)[nH+]1 ZINC000422757823 447741878 /nfs/dbraw/zinc/74/18/78/447741878.db2.gz JBGVLIANWHCEML-HKUYNNGSSA-N 2 1 330.476 1.715 20 0 EDADMP CN(c1ccccc1C[N@H+]1CCC[C@](O)(CO)C1)C1CC[NH+](C)CC1 ZINC000459713257 447749624 /nfs/dbraw/zinc/74/96/24/447749624.db2.gz KSSKTEQOFHWZMA-HXUWFJFHSA-N 2 1 347.503 1.536 20 0 EDADMP CN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000422820107 447758354 /nfs/dbraw/zinc/75/83/54/447758354.db2.gz OXSXZMHQTHVWDV-CEXWTWQISA-N 2 1 343.519 1.844 20 0 EDADMP C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1c[nH+]ccc1N ZINC000422822734 447759787 /nfs/dbraw/zinc/75/97/87/447759787.db2.gz BOTHRKNTXJIFOT-CYBMUJFWSA-N 2 1 345.447 1.790 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1ccc2c(c1)OCCO2 ZINC000430543209 447776158 /nfs/dbraw/zinc/77/61/58/447776158.db2.gz DOUZSJRBBVGHEH-KBPBESRZSA-N 2 1 349.475 1.940 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1ccc2c(c1)OCCO2 ZINC000430543209 447776160 /nfs/dbraw/zinc/77/61/60/447776160.db2.gz DOUZSJRBBVGHEH-KBPBESRZSA-N 2 1 349.475 1.940 20 0 EDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430564155 447779908 /nfs/dbraw/zinc/77/99/08/447779908.db2.gz AUFUUEZFZIFEPM-QGZVFWFLSA-N 2 1 347.507 1.426 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430930405 447787870 /nfs/dbraw/zinc/78/78/70/447787870.db2.gz ALIWYTQAWUZGMA-SJLPKXTDSA-N 3 1 344.503 1.436 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430930405 447787872 /nfs/dbraw/zinc/78/78/72/447787872.db2.gz ALIWYTQAWUZGMA-SJLPKXTDSA-N 3 1 344.503 1.436 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](CC)C1 ZINC000462012139 447798103 /nfs/dbraw/zinc/79/81/03/447798103.db2.gz SUOOXTIEZXAFMT-BRWVUGGUSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000462012139 447798104 /nfs/dbraw/zinc/79/81/04/447798104.db2.gz SUOOXTIEZXAFMT-BRWVUGGUSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000462012139 447798105 /nfs/dbraw/zinc/79/81/05/447798105.db2.gz SUOOXTIEZXAFMT-BRWVUGGUSA-N 2 1 342.528 1.593 20 0 EDADMP CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000423113949 447807927 /nfs/dbraw/zinc/80/79/27/447807927.db2.gz VALLVYCLUMXYHP-PYWTVGQWSA-N 3 1 336.524 1.580 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000488047802 447840746 /nfs/dbraw/zinc/84/07/46/447840746.db2.gz IPVIZAZXARIMRY-GOEBONIOSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000488047802 447840748 /nfs/dbraw/zinc/84/07/48/447840748.db2.gz IPVIZAZXARIMRY-GOEBONIOSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000488047802 447840750 /nfs/dbraw/zinc/84/07/50/447840750.db2.gz IPVIZAZXARIMRY-GOEBONIOSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1=CC[N@@H+](C)CC1 ZINC000496661378 447843146 /nfs/dbraw/zinc/84/31/46/447843146.db2.gz LVHPMAPGUZYHMM-SUMWQHHRSA-N 2 1 327.469 1.502 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551867804 447911526 /nfs/dbraw/zinc/91/15/26/447911526.db2.gz ZVUKZBYCJKOWBQ-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551867804 447911529 /nfs/dbraw/zinc/91/15/29/447911529.db2.gz ZVUKZBYCJKOWBQ-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551867804 447911535 /nfs/dbraw/zinc/91/15/35/447911535.db2.gz ZVUKZBYCJKOWBQ-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000524720422 447942421 /nfs/dbraw/zinc/94/24/21/447942421.db2.gz PSNWZXXTUMYEKE-PKOBYXMFSA-N 2 1 344.503 1.433 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000524720422 447942424 /nfs/dbraw/zinc/94/24/24/447942424.db2.gz PSNWZXXTUMYEKE-PKOBYXMFSA-N 2 1 344.503 1.433 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000576000901 447948946 /nfs/dbraw/zinc/94/89/46/447948946.db2.gz OOBTXEAVPBNSGX-NEWSRXKRSA-N 2 1 345.487 1.327 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000576000901 447948952 /nfs/dbraw/zinc/94/89/52/447948952.db2.gz OOBTXEAVPBNSGX-NEWSRXKRSA-N 2 1 345.487 1.327 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000576000901 447948957 /nfs/dbraw/zinc/94/89/57/447948957.db2.gz OOBTXEAVPBNSGX-NEWSRXKRSA-N 2 1 345.487 1.327 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000524436039 447930721 /nfs/dbraw/zinc/93/07/21/447930721.db2.gz IAFBQHKSYPFSHR-GOSISDBHSA-N 2 1 330.476 1.002 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000524436039 447930723 /nfs/dbraw/zinc/93/07/23/447930723.db2.gz IAFBQHKSYPFSHR-GOSISDBHSA-N 2 1 330.476 1.002 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000524436039 447930725 /nfs/dbraw/zinc/93/07/25/447930725.db2.gz IAFBQHKSYPFSHR-GOSISDBHSA-N 2 1 330.476 1.002 20 0 EDADMP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)COc1ccc2c(c1)OCO2 ZINC000576220272 448002654 /nfs/dbraw/zinc/00/26/54/448002654.db2.gz KRBLISKZMHDDAN-HIFRSBDPSA-N 2 1 334.416 1.229 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)n1C ZINC000531200928 448037946 /nfs/dbraw/zinc/03/79/46/448037946.db2.gz IBUAHDGEVQCIKD-HNNXBMFYSA-N 2 1 348.495 1.646 20 0 EDADMP COC[C@@]1(CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CCC[NH2+]1 ZINC000576568919 448085257 /nfs/dbraw/zinc/08/52/57/448085257.db2.gz DSPIZMONSHDRHM-HKUYNNGSSA-N 2 1 346.475 1.453 20 0 EDADMP COC[C@@]1(CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CCC[NH2+]1 ZINC000576568919 448085261 /nfs/dbraw/zinc/08/52/61/448085261.db2.gz DSPIZMONSHDRHM-HKUYNNGSSA-N 2 1 346.475 1.453 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000556062626 448102662 /nfs/dbraw/zinc/10/26/62/448102662.db2.gz VSWVVOZCQJTNFK-UHFFFAOYSA-N 2 1 349.479 1.031 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000556062626 448102667 /nfs/dbraw/zinc/10/26/67/448102667.db2.gz VSWVVOZCQJTNFK-UHFFFAOYSA-N 2 1 349.479 1.031 20 0 EDADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000571065615 448104330 /nfs/dbraw/zinc/10/43/30/448104330.db2.gz LODWJKBEIJEUDD-RHSMWYFYSA-N 2 1 348.495 1.553 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)[C@H]3CCOC3)CC2)CC1 ZINC000576647014 448105456 /nfs/dbraw/zinc/10/54/56/448105456.db2.gz OLERRMWNSFCESJ-RDJZCZTQSA-N 2 1 337.508 1.724 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000527084059 448155658 /nfs/dbraw/zinc/15/56/58/448155658.db2.gz YOVRRRVDXVKUJD-UHFFFAOYSA-N 2 1 339.528 1.140 20 0 EDADMP CCOCC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000571158355 448113269 /nfs/dbraw/zinc/11/32/69/448113269.db2.gz FYYUMEQBKARHGQ-RBUKOAKNSA-N 2 1 336.476 1.655 20 0 EDADMP CCOCC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000571158355 448113270 /nfs/dbraw/zinc/11/32/70/448113270.db2.gz FYYUMEQBKARHGQ-RBUKOAKNSA-N 2 1 336.476 1.655 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000576688025 448114134 /nfs/dbraw/zinc/11/41/34/448114134.db2.gz MRJBRQPCFJPABC-MAUKXSAKSA-N 2 1 330.476 1.948 20 0 EDADMP CO[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)[C@H](C[NH3+])C1 ZINC000576706813 448121481 /nfs/dbraw/zinc/12/14/81/448121481.db2.gz ALCSUABLZJTVQP-FGTMMUONSA-N 2 1 346.475 1.258 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000576730112 448127745 /nfs/dbraw/zinc/12/77/45/448127745.db2.gz HYLZIPRWRLMAAO-INIZCTEOSA-N 2 1 331.464 1.611 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(CC[NH3+])CC2)C[C@H](C)O1 ZINC000514608320 448172900 /nfs/dbraw/zinc/17/29/00/448172900.db2.gz OZVLHIVXRXNLMF-GJZGRUSLSA-N 2 1 340.512 1.645 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000557113489 448180891 /nfs/dbraw/zinc/18/08/91/448180891.db2.gz IASMRUJVLABLFG-WBVHZDCISA-N 2 1 340.512 1.504 20 0 EDADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000514727317 448194624 /nfs/dbraw/zinc/19/46/24/448194624.db2.gz SUKSPSSXMLJJPY-PMPSAXMXSA-N 2 1 347.459 1.344 20 0 EDADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000514727317 448194630 /nfs/dbraw/zinc/19/46/30/448194630.db2.gz SUKSPSSXMLJJPY-PMPSAXMXSA-N 2 1 347.459 1.344 20 0 EDADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000571762578 448201406 /nfs/dbraw/zinc/20/14/06/448201406.db2.gz LNMMGEGSTKFIFH-ROUUACIJSA-N 2 1 336.476 1.480 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCCC2=CC[NH2+]CC2)C[C@@H](C)O1 ZINC000514783797 448202987 /nfs/dbraw/zinc/20/29/87/448202987.db2.gz BDJRQUWAMZWFAU-HUUCEWRRSA-N 2 1 338.496 1.483 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)O1 ZINC000527552179 448273107 /nfs/dbraw/zinc/27/31/07/448273107.db2.gz UBFHCLWBGCZZCE-BPQIPLTHSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)O1 ZINC000527552179 448273111 /nfs/dbraw/zinc/27/31/11/448273111.db2.gz UBFHCLWBGCZZCE-BPQIPLTHSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000527552179 448273117 /nfs/dbraw/zinc/27/31/17/448273117.db2.gz UBFHCLWBGCZZCE-BPQIPLTHSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000527552179 448273123 /nfs/dbraw/zinc/27/31/23/448273123.db2.gz UBFHCLWBGCZZCE-BPQIPLTHSA-N 2 1 331.460 1.344 20 0 EDADMP CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000591272366 448303003 /nfs/dbraw/zinc/30/30/03/448303003.db2.gz CALRFIHJUPSFHZ-CVEARBPZSA-N 2 1 339.480 1.239 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000515851828 448357843 /nfs/dbraw/zinc/35/78/43/448357843.db2.gz INLBMMAXRJYJMK-HRCADAONSA-N 2 1 333.480 1.685 20 0 EDADMP CN(C)c1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)nc1 ZINC000572466647 448385023 /nfs/dbraw/zinc/38/50/23/448385023.db2.gz OESUTIGHJHTCDA-UHFFFAOYSA-N 2 1 340.431 1.547 20 0 EDADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000528283709 448474887 /nfs/dbraw/zinc/47/48/87/448474887.db2.gz CKLGYMNCWRIMLG-GOSISDBHSA-N 2 1 343.475 1.930 20 0 EDADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000572869734 448485107 /nfs/dbraw/zinc/48/51/07/448485107.db2.gz MQUADUIXIKSVDM-ILOCAZANSA-N 2 1 327.513 1.167 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000572869734 448485113 /nfs/dbraw/zinc/48/51/13/448485113.db2.gz MQUADUIXIKSVDM-ILOCAZANSA-N 2 1 327.513 1.167 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3cnccn3)CC2)CC1 ZINC000566804775 448563848 /nfs/dbraw/zinc/56/38/48/448563848.db2.gz BHBCJUTXYQSICR-UHFFFAOYSA-N 2 1 345.491 1.332 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)n1ccnc1 ZINC000578513017 448565498 /nfs/dbraw/zinc/56/54/98/448565498.db2.gz IBNNHRITDYSFAU-SJORKVTESA-N 3 1 335.496 1.709 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCCOc3ccc4ccccc4c3)CCN2C1=O ZINC000578550716 448577666 /nfs/dbraw/zinc/57/76/66/448577666.db2.gz MFSLRZDIPOTZPI-MJGOQNOKSA-N 2 1 339.439 1.853 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCCOc3ccc4ccccc4c3)CCN2C1=O ZINC000578550716 448577671 /nfs/dbraw/zinc/57/76/71/448577671.db2.gz MFSLRZDIPOTZPI-MJGOQNOKSA-N 2 1 339.439 1.853 20 0 EDADMP COc1ccc(CN2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)cc1 ZINC000517123169 448539513 /nfs/dbraw/zinc/53/95/13/448539513.db2.gz YDFVVXUVNBEZHV-IXEWLPCDSA-N 2 1 329.444 1.669 20 0 EDADMP c1c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nnn1Cc1cccnc1 ZINC000573120311 448548867 /nfs/dbraw/zinc/54/88/67/448548867.db2.gz LVHMZSBSDNAOKA-IRXDYDNUSA-N 2 1 326.448 1.543 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000573340120 448604460 /nfs/dbraw/zinc/60/44/60/448604460.db2.gz JHVBXWBHTUIRLK-LJQANCHMSA-N 2 1 342.487 1.865 20 0 EDADMP CN(C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000573340684 448604705 /nfs/dbraw/zinc/60/47/05/448604705.db2.gz ANJQDOPLKDIIAU-UHFFFAOYSA-N 2 1 346.475 1.777 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000578730490 448618859 /nfs/dbraw/zinc/61/88/59/448618859.db2.gz GKXJVLMILCABGT-HOTGVXAUSA-N 2 1 339.528 1.090 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)CC2)cn1 ZINC000578625073 448595918 /nfs/dbraw/zinc/59/59/18/448595918.db2.gz MVARRBWNHWUJIB-WBVHZDCISA-N 2 1 348.495 1.155 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)CC2)cn1 ZINC000578625073 448595922 /nfs/dbraw/zinc/59/59/22/448595922.db2.gz MVARRBWNHWUJIB-WBVHZDCISA-N 2 1 348.495 1.155 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000518045399 448641806 /nfs/dbraw/zinc/64/18/06/448641806.db2.gz SHAOSARWCVLADS-JKSUJKDBSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000518045399 448641813 /nfs/dbraw/zinc/64/18/13/448641813.db2.gz SHAOSARWCVLADS-JKSUJKDBSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000518045399 448641818 /nfs/dbraw/zinc/64/18/18/448641818.db2.gz SHAOSARWCVLADS-JKSUJKDBSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[C@H](N[C@@H]2CCC(=O)N(C)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000567226969 448643078 /nfs/dbraw/zinc/64/30/78/448643078.db2.gz KGADUGFZARLRCV-DJIMGWMZSA-N 2 1 329.444 1.777 20 0 EDADMP C[C@@H]1C[C@H](N[C@@H]2CCC(=O)N(C)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000567226969 448643085 /nfs/dbraw/zinc/64/30/85/448643085.db2.gz KGADUGFZARLRCV-DJIMGWMZSA-N 2 1 329.444 1.777 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528723893 448646121 /nfs/dbraw/zinc/64/61/21/448646121.db2.gz ZHXAQULVNHZFPP-OAHLLOKOSA-N 2 1 334.420 1.011 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000518134245 448646810 /nfs/dbraw/zinc/64/68/10/448646810.db2.gz KQHUDMWPSUROEV-HNNXBMFYSA-N 2 1 347.463 1.084 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000584775858 448626549 /nfs/dbraw/zinc/62/65/49/448626549.db2.gz UVSDVGJOBLOISU-YRXWBPOGSA-N 2 1 341.540 1.557 20 0 EDADMP Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000584782885 448631453 /nfs/dbraw/zinc/63/14/53/448631453.db2.gz VDHQSGCGUFZQLM-MSOLQXFVSA-N 2 1 336.476 1.417 20 0 EDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000567604313 448722788 /nfs/dbraw/zinc/72/27/88/448722788.db2.gz ONWFQGBSHKPUDF-IRXDYDNUSA-N 2 1 337.489 1.582 20 0 EDADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000518400329 448676210 /nfs/dbraw/zinc/67/62/10/448676210.db2.gz FVOZYMNDWKGZGV-MSOLQXFVSA-N 2 1 344.503 1.655 20 0 EDADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000518400329 448676215 /nfs/dbraw/zinc/67/62/15/448676215.db2.gz FVOZYMNDWKGZGV-MSOLQXFVSA-N 2 1 344.503 1.655 20 0 EDADMP CC[C@H](O)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000579315179 448763801 /nfs/dbraw/zinc/76/38/01/448763801.db2.gz YDCGCLYZOHBHFL-SFHVURJKSA-N 2 1 339.524 1.802 20 0 EDADMP [NH3+]CC1(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000529291263 448809237 /nfs/dbraw/zinc/80/92/37/448809237.db2.gz ORLWQLANIJLTNK-QGZVFWFLSA-N 2 1 346.475 1.458 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529296971 448812307 /nfs/dbraw/zinc/81/23/07/448812307.db2.gz HAXVPCYKEASXFU-NVXWUHKLSA-N 2 1 346.475 1.629 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000579369611 448780184 /nfs/dbraw/zinc/78/01/84/448780184.db2.gz HLEVDKUWOGTNFU-MHORFTMASA-N 2 1 327.513 1.263 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000579369611 448780186 /nfs/dbraw/zinc/78/01/86/448780186.db2.gz HLEVDKUWOGTNFU-MHORFTMASA-N 2 1 327.513 1.263 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000579369611 448780189 /nfs/dbraw/zinc/78/01/89/448780189.db2.gz HLEVDKUWOGTNFU-MHORFTMASA-N 2 1 327.513 1.263 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000567925953 448785007 /nfs/dbraw/zinc/78/50/07/448785007.db2.gz YMLZRYGJBNWDRK-WBAXXEDZSA-N 2 1 347.459 1.440 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000574142080 448798821 /nfs/dbraw/zinc/79/88/21/448798821.db2.gz YOOQJGMKOBDPNF-YYIAUSFCSA-N 2 1 338.496 1.031 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1(O)CC[NH+](C(C)C)CC1)CC2 ZINC000568024036 448800234 /nfs/dbraw/zinc/80/02/34/448800234.db2.gz CZIGPAIWKGPWRS-OAHLLOKOSA-N 2 1 334.464 1.105 20 0 EDADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2cc(C)on2)c1 ZINC000568383988 448864838 /nfs/dbraw/zinc/86/48/38/448864838.db2.gz RFVSDJZTYKWMQG-UHFFFAOYSA-N 2 1 330.432 2.553 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cnn4c3[C@H](C[NH3+])CCC4)CC[C@H]21 ZINC000592564093 448902238 /nfs/dbraw/zinc/90/22/38/448902238.db2.gz FJDSSEQUGFBDNX-SQWLQELKSA-N 2 1 331.464 1.276 20 0 EDADMP C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000547787140 448929153 /nfs/dbraw/zinc/92/91/53/448929153.db2.gz JIXVFRFPSMVJRA-CGTJXYLNSA-N 2 1 333.476 1.498 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1Br ZINC000574510653 448890382 /nfs/dbraw/zinc/89/03/82/448890382.db2.gz KFNFOBDIAUOQST-NSHDSACASA-N 2 1 326.238 1.532 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)COCc1ccccc1F ZINC000574757247 448949640 /nfs/dbraw/zinc/94/96/40/448949640.db2.gz VSUSNBGSMODNGQ-IAGOWNOFSA-N 2 1 340.439 1.140 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000521072440 448954373 /nfs/dbraw/zinc/95/43/73/448954373.db2.gz XJCDFTMGKBGUQI-ZBFHGGJFSA-N 2 1 330.432 1.027 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000521072440 448954376 /nfs/dbraw/zinc/95/43/76/448954376.db2.gz XJCDFTMGKBGUQI-ZBFHGGJFSA-N 2 1 330.432 1.027 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000521072440 448954379 /nfs/dbraw/zinc/95/43/79/448954379.db2.gz XJCDFTMGKBGUQI-ZBFHGGJFSA-N 2 1 330.432 1.027 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000521072440 448954384 /nfs/dbraw/zinc/95/43/84/448954384.db2.gz XJCDFTMGKBGUQI-ZBFHGGJFSA-N 2 1 330.432 1.027 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000588981890 448956434 /nfs/dbraw/zinc/95/64/34/448956434.db2.gz YYOPTTODMFSRJA-UHFFFAOYSA-N 2 1 328.501 1.326 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000588981890 448956440 /nfs/dbraw/zinc/95/64/40/448956440.db2.gz YYOPTTODMFSRJA-UHFFFAOYSA-N 2 1 328.501 1.326 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000588981890 448956445 /nfs/dbraw/zinc/95/64/45/448956445.db2.gz YYOPTTODMFSRJA-UHFFFAOYSA-N 2 1 328.501 1.326 20 0 EDADMP C[C@@]1(CO)CCC[NH+]1Cc1cncc(C[N@@H+]2CCC[C@@]2(C)CO)c1 ZINC000569075647 448956849 /nfs/dbraw/zinc/95/68/49/448956849.db2.gz XJPQILUUCVCZNR-OALUTQOASA-N 2 1 333.476 1.775 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000529833453 448975813 /nfs/dbraw/zinc/97/58/13/448975813.db2.gz SNBSKIFQIGLRJM-KRWDZBQOSA-N 2 1 331.460 1.728 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000529833453 448975815 /nfs/dbraw/zinc/97/58/15/448975815.db2.gz SNBSKIFQIGLRJM-KRWDZBQOSA-N 2 1 331.460 1.728 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000582074161 449005895 /nfs/dbraw/zinc/00/58/95/449005895.db2.gz DIJWTPFRTWQVQT-QZTJIDSGSA-N 2 1 330.476 1.697 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1 ZINC000521872928 449021737 /nfs/dbraw/zinc/02/17/37/449021737.db2.gz OMDQLYKPOFTUFU-OAHLLOKOSA-N 2 1 333.480 1.136 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CN1c1ccccc1F ZINC000582354385 449071232 /nfs/dbraw/zinc/07/12/32/449071232.db2.gz BRCBBKFCXPSCAC-XOSAIJSUSA-N 2 1 347.434 1.678 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592959752 449083348 /nfs/dbraw/zinc/08/33/48/449083348.db2.gz PQMDMZSDEUAORY-BMFZPTHFSA-N 2 1 331.464 1.418 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000582301943 449062114 /nfs/dbraw/zinc/06/21/14/449062114.db2.gz JGNMPILUNVZMHK-BZSNNMDCSA-N 2 1 331.460 1.004 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000582301943 449062118 /nfs/dbraw/zinc/06/21/18/449062118.db2.gz JGNMPILUNVZMHK-BZSNNMDCSA-N 2 1 331.460 1.004 20 0 EDADMP CC(C)[C@H]1C[NH2+]CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000530230354 449087715 /nfs/dbraw/zinc/08/77/15/449087715.db2.gz ZLSVTBRGQYXEGE-LJQANCHMSA-N 2 1 344.503 1.261 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4COCCN4)[C@@H]3C2)cc1 ZINC000530227632 449088402 /nfs/dbraw/zinc/08/84/02/449088402.db2.gz UJPOSJUHEXPYQS-NMLBUPMWSA-N 2 1 329.488 1.865 20 0 EDADMP C[C@H]1CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CC[NH3+] ZINC000593730816 449165842 /nfs/dbraw/zinc/16/58/42/449165842.db2.gz HLLAMUXFXKZCQD-QWRGUYRKSA-N 2 1 338.374 1.214 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH+]4CCCC[C@H]34)C2)CC1 ZINC000604175758 449185441 /nfs/dbraw/zinc/18/54/41/449185441.db2.gz AFFAOUOJXHCCIA-RYQLBKOJSA-N 2 1 349.523 1.081 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000604175758 449185446 /nfs/dbraw/zinc/18/54/46/449185446.db2.gz AFFAOUOJXHCCIA-RYQLBKOJSA-N 2 1 349.523 1.081 20 0 EDADMP CN1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000604175758 449185450 /nfs/dbraw/zinc/18/54/50/449185450.db2.gz AFFAOUOJXHCCIA-RYQLBKOJSA-N 2 1 349.523 1.081 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000604175758 449185452 /nfs/dbraw/zinc/18/54/52/449185452.db2.gz AFFAOUOJXHCCIA-RYQLBKOJSA-N 2 1 349.523 1.081 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000604175758 449185457 /nfs/dbraw/zinc/18/54/57/449185457.db2.gz AFFAOUOJXHCCIA-RYQLBKOJSA-N 2 1 349.523 1.081 20 0 EDADMP CC1CC[NH+](CCNC(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000590955167 449357438 /nfs/dbraw/zinc/35/74/38/449357438.db2.gz KTSWMOXTDKAHAV-UHFFFAOYSA-N 2 1 339.528 1.045 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617344095 449567519 /nfs/dbraw/zinc/56/75/19/449567519.db2.gz AQSFQKPUTOCLIU-AWEZNQCLSA-N 2 1 344.463 1.825 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617344095 449567522 /nfs/dbraw/zinc/56/75/22/449567522.db2.gz AQSFQKPUTOCLIU-AWEZNQCLSA-N 2 1 344.463 1.825 20 0 EDADMP C[C@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)C1CC[NH+](C)CC1 ZINC000607246749 449590559 /nfs/dbraw/zinc/59/05/59/449590559.db2.gz QLSJFUPDWXGGRU-HNNXBMFYSA-N 2 1 340.512 1.205 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602471485 449618119 /nfs/dbraw/zinc/61/81/19/449618119.db2.gz NHDCUSUIPKFDJF-WNSKOXEYSA-N 2 1 343.537 1.258 20 0 EDADMP C[NH+](C)[C@H](CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccccc1 ZINC000614503907 449651460 /nfs/dbraw/zinc/65/14/60/449651460.db2.gz SUGNFMSTQARWHP-QZTJIDSGSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2ccccc2c(=O)o1 ZINC000617507103 449655124 /nfs/dbraw/zinc/65/51/24/449655124.db2.gz IEULRAJIVBUXFR-AWEZNQCLSA-N 2 1 345.443 1.795 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2ccccc2c(=O)o1 ZINC000617507103 449655129 /nfs/dbraw/zinc/65/51/29/449655129.db2.gz IEULRAJIVBUXFR-AWEZNQCLSA-N 2 1 345.443 1.795 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)oc1C ZINC000601041640 449672716 /nfs/dbraw/zinc/67/27/16/449672716.db2.gz PTEOFYBQRYZAQL-MRXNPFEDSA-N 2 1 334.464 1.571 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)oc1C ZINC000601041640 449672720 /nfs/dbraw/zinc/67/27/20/449672720.db2.gz PTEOFYBQRYZAQL-MRXNPFEDSA-N 2 1 334.464 1.571 20 0 EDADMP C[S@@](=O)C1(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH2+]CC1 ZINC000602521436 449646123 /nfs/dbraw/zinc/64/61/23/449646123.db2.gz OIWXIZNCXGUKHV-LFVRLGFBSA-N 2 1 341.521 1.010 20 0 EDADMP CCN(C#N)CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000602776700 449800472 /nfs/dbraw/zinc/80/04/72/449800472.db2.gz AGWIGPTUVSFMJW-UHFFFAOYSA-N 2 1 335.540 1.917 20 0 EDADMP COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000597247571 449895266 /nfs/dbraw/zinc/89/52/66/449895266.db2.gz PHOQBHJWKMOYBJ-PSOLEGPJSA-N 2 1 336.476 1.807 20 0 EDADMP C[C@]1(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]C1 ZINC000612874935 449921452 /nfs/dbraw/zinc/92/14/52/449921452.db2.gz IAVBHSZDCVUHMV-HKUYNNGSSA-N 2 1 330.476 1.602 20 0 EDADMP O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613211365 450082687 /nfs/dbraw/zinc/08/26/87/450082687.db2.gz ZTYGIHDEYOCXKB-GVXVVHGQSA-N 2 1 331.243 1.884 20 0 EDADMP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC000615600155 450159126 /nfs/dbraw/zinc/15/91/26/450159126.db2.gz AACLZURTSLLOKH-SFHVURJKSA-N 2 1 332.448 1.828 20 0 EDADMP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC000615600155 450159130 /nfs/dbraw/zinc/15/91/30/450159130.db2.gz AACLZURTSLLOKH-SFHVURJKSA-N 2 1 332.448 1.828 20 0 EDADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000603429227 450298833 /nfs/dbraw/zinc/29/88/33/450298833.db2.gz MPOXYNGSRGJBLX-HUUCEWRRSA-N 2 1 326.400 1.394 20 0 EDADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000603429227 450298837 /nfs/dbraw/zinc/29/88/37/450298837.db2.gz MPOXYNGSRGJBLX-HUUCEWRRSA-N 2 1 326.400 1.394 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000625979010 450548112 /nfs/dbraw/zinc/54/81/12/450548112.db2.gz FCHOIYBIQBWMKW-INIZCTEOSA-N 2 1 346.475 1.229 20 0 EDADMP CC[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063708 450566231 /nfs/dbraw/zinc/56/62/31/450566231.db2.gz MYFPGCGRKQQFAM-AWEZNQCLSA-N 2 1 332.448 1.510 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CCO1 ZINC000620974568 450567875 /nfs/dbraw/zinc/56/78/75/450567875.db2.gz KPETUMWQAMDVKS-HNNXBMFYSA-N 2 1 334.464 1.331 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000623709880 450569543 /nfs/dbraw/zinc/56/95/43/450569543.db2.gz LOORRZYULDRWIK-QGZVFWFLSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000623709880 450569545 /nfs/dbraw/zinc/56/95/45/450569545.db2.gz LOORRZYULDRWIK-QGZVFWFLSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000623709880 450569547 /nfs/dbraw/zinc/56/95/47/450569547.db2.gz LOORRZYULDRWIK-QGZVFWFLSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@@H]1C[C@H](CO)CC[NH+]1CC1(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)COC1 ZINC000626120612 450578461 /nfs/dbraw/zinc/57/84/61/450578461.db2.gz IURXFVDJTMSQFP-BRSBDYLESA-N 2 1 340.508 1.189 20 0 EDADMP [NH3+]CCCOCC[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000629401561 450650933 /nfs/dbraw/zinc/65/09/33/450650933.db2.gz RSWJOLAXUOLJID-UHFFFAOYSA-N 2 1 327.791 1.515 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631576580 450662947 /nfs/dbraw/zinc/66/29/47/450662947.db2.gz BRXMUWDHPNJJES-TWMKSMIVSA-N 2 1 335.492 1.511 20 0 EDADMP C[NH+](C)[C@@H](CNS(=O)(=O)CCC[NH+]1CCCC1)c1ccccc1 ZINC000631646450 450692899 /nfs/dbraw/zinc/69/28/99/450692899.db2.gz LZDNPEQLKKTLKU-KRWDZBQOSA-N 2 1 339.505 1.695 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)[C@@H]2CCC[C@H]21 ZINC000624116968 450712916 /nfs/dbraw/zinc/71/29/16/450712916.db2.gz CNWKGAIERSXXSP-FXUDXRNXSA-N 2 1 341.463 1.165 20 0 EDADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)CCOCC[NH3+])cc1 ZINC000629579322 450746304 /nfs/dbraw/zinc/74/63/04/450746304.db2.gz RNICEKVWNNSGAI-SFHVURJKSA-N 2 1 349.475 1.656 20 0 EDADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)CCOCC[NH3+])cc1 ZINC000629579322 450746306 /nfs/dbraw/zinc/74/63/06/450746306.db2.gz RNICEKVWNNSGAI-SFHVURJKSA-N 2 1 349.475 1.656 20 0 EDADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N1CCN(c2ccccc2)CC1 ZINC000635291739 450821974 /nfs/dbraw/zinc/82/19/74/450821974.db2.gz ZYOZQTGFHAGXKF-ZWKOTPCHSA-N 2 1 344.503 1.655 20 0 EDADMP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000635291739 450821978 /nfs/dbraw/zinc/82/19/78/450821978.db2.gz ZYOZQTGFHAGXKF-ZWKOTPCHSA-N 2 1 344.503 1.655 20 0 EDADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000635291739 450821983 /nfs/dbraw/zinc/82/19/83/450821983.db2.gz ZYOZQTGFHAGXKF-ZWKOTPCHSA-N 2 1 344.503 1.655 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3C[C@@H]([NH3+])C[C@@H]3C)CC2)cc1 ZINC000631862864 450831539 /nfs/dbraw/zinc/83/15/39/450831539.db2.gz USALPXSSTFXSJU-HKUYNNGSSA-N 2 1 344.503 1.451 20 0 EDADMP CCCn1nccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000631829180 450800448 /nfs/dbraw/zinc/80/04/48/450800448.db2.gz JIHIVRDPDAPZBY-MRXNPFEDSA-N 2 1 333.480 1.943 20 0 EDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000631830082 450802253 /nfs/dbraw/zinc/80/22/53/450802253.db2.gz IXOVCWBMPFYEBU-XHSDSOJGSA-N 2 1 333.480 1.424 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)CC2)c1 ZINC000631892874 450852952 /nfs/dbraw/zinc/85/29/52/450852952.db2.gz YVGMJVVENLTGJO-UHFFFAOYSA-N 2 1 342.447 1.111 20 0 EDADMP C[N@@H+](CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000629955166 450914794 /nfs/dbraw/zinc/91/47/94/450914794.db2.gz YUWPNACSGIIAGD-UHFFFAOYSA-N 3 1 345.491 1.194 20 0 EDADMP C[N@H+](CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000629955166 450914796 /nfs/dbraw/zinc/91/47/96/450914796.db2.gz YUWPNACSGIIAGD-UHFFFAOYSA-N 2 1 345.491 1.194 20 0 EDADMP C[N@@H+](CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000629955166 450914802 /nfs/dbraw/zinc/91/48/02/450914802.db2.gz YUWPNACSGIIAGD-UHFFFAOYSA-N 2 1 345.491 1.194 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)O1 ZINC000621887601 450919741 /nfs/dbraw/zinc/91/97/41/450919741.db2.gz HLXQOFUJHVPXGR-BPQIPLTHSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)O1 ZINC000621887601 450919744 /nfs/dbraw/zinc/91/97/44/450919744.db2.gz HLXQOFUJHVPXGR-BPQIPLTHSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)O1 ZINC000621887601 450919747 /nfs/dbraw/zinc/91/97/47/450919747.db2.gz HLXQOFUJHVPXGR-BPQIPLTHSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)O1 ZINC000621887601 450919749 /nfs/dbraw/zinc/91/97/49/450919749.db2.gz HLXQOFUJHVPXGR-BPQIPLTHSA-N 2 1 331.460 1.438 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)CC(C)(C)C ZINC000635454371 450954558 /nfs/dbraw/zinc/95/45/58/450954558.db2.gz WWDWLMLFYLRQTL-UHFFFAOYSA-N 2 1 339.524 1.925 20 0 EDADMP C[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000626974471 451044453 /nfs/dbraw/zinc/04/44/53/451044453.db2.gz GZPJEJBEXAFQDW-OAHLLOKOSA-N 2 1 334.464 1.314 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626942158 451022486 /nfs/dbraw/zinc/02/24/86/451022486.db2.gz JTOCRBYJYGFXMI-QWHCGFSZSA-N 2 1 347.385 1.750 20 0 EDADMP C[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000626952710 451030692 /nfs/dbraw/zinc/03/06/92/451030692.db2.gz GRRJLMRNTDAECL-OAHLLOKOSA-N 2 1 346.475 1.240 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CCOCC[NH3+])cc1 ZINC000626997681 451063010 /nfs/dbraw/zinc/06/30/10/451063010.db2.gz VWAUYVSPFMLLLU-AWEZNQCLSA-N 2 1 345.447 1.858 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627008681 451072537 /nfs/dbraw/zinc/07/25/37/451072537.db2.gz DXXBJQJLIRZXCS-OAHLLOKOSA-N 2 1 334.464 1.314 20 0 EDADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627014673 451079382 /nfs/dbraw/zinc/07/93/82/451079382.db2.gz DDRKTGYPCMZJQL-QZTJIDSGSA-N 2 1 348.491 1.431 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627023470 451086344 /nfs/dbraw/zinc/08/63/44/451086344.db2.gz VHQDWRQXHNRYOG-GOSISDBHSA-N 2 1 348.491 1.386 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000627038812 451095225 /nfs/dbraw/zinc/09/52/25/451095225.db2.gz OJGPCJSWWDIDAI-SJLPKXTDSA-N 2 1 348.491 1.527 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC[C@H]1C(F)(F)F ZINC000626982875 451051193 /nfs/dbraw/zinc/05/11/93/451051193.db2.gz VHTAIHPXAMFIQQ-HZSPNIEDSA-N 2 1 348.413 1.639 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627114605 451131639 /nfs/dbraw/zinc/13/16/39/451131639.db2.gz HRLRXILKBGQISN-BRWVUGGUSA-N 2 1 334.439 1.665 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000627116807 451132833 /nfs/dbraw/zinc/13/28/33/451132833.db2.gz NNHUEBLNBMSIGR-IRXDYDNUSA-N 2 1 338.496 1.271 20 0 EDADMP CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627130250 451140831 /nfs/dbraw/zinc/14/08/31/451140831.db2.gz OTRXNAQAWLMCIP-IAGOWNOFSA-N 2 1 349.523 1.081 20 0 EDADMP CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627130250 451140834 /nfs/dbraw/zinc/14/08/34/451140834.db2.gz OTRXNAQAWLMCIP-IAGOWNOFSA-N 2 1 349.523 1.081 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@@H](O)C(F)F)CC2)CC1 ZINC000634004046 451147337 /nfs/dbraw/zinc/14/73/37/451147337.db2.gz SKCWKQKLEWVSSF-OAHLLOKOSA-N 2 1 347.450 1.315 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627153136 451151107 /nfs/dbraw/zinc/15/11/07/451151107.db2.gz QFBQCJJNMRICAG-MRXNPFEDSA-N 2 1 346.475 1.410 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627153136 451151111 /nfs/dbraw/zinc/15/11/11/451151111.db2.gz QFBQCJJNMRICAG-MRXNPFEDSA-N 2 1 346.475 1.410 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000627170519 451162844 /nfs/dbraw/zinc/16/28/44/451162844.db2.gz VFBDQUPIEUMZPZ-ZWKOTPCHSA-N 2 1 330.476 1.963 20 0 EDADMP COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)CCC[NH+](C)C)cc1 ZINC000632318629 451196356 /nfs/dbraw/zinc/19/63/56/451196356.db2.gz HHYPWKOULKAUSE-MRXNPFEDSA-N 2 1 343.493 1.169 20 0 EDADMP COCCOCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000635737720 451208488 /nfs/dbraw/zinc/20/84/88/451208488.db2.gz FEIHCVUIKFSAEE-GOSISDBHSA-N 2 1 349.475 1.274 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000635737720 451208492 /nfs/dbraw/zinc/20/84/92/451208492.db2.gz FEIHCVUIKFSAEE-GOSISDBHSA-N 2 1 349.475 1.274 20 0 EDADMP COCCOCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000635737720 451208495 /nfs/dbraw/zinc/20/84/95/451208495.db2.gz FEIHCVUIKFSAEE-GOSISDBHSA-N 2 1 349.475 1.274 20 0 EDADMP COCCOCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000635737720 451208498 /nfs/dbraw/zinc/20/84/98/451208498.db2.gz FEIHCVUIKFSAEE-GOSISDBHSA-N 2 1 349.475 1.274 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000635784352 451237773 /nfs/dbraw/zinc/23/77/73/451237773.db2.gz DVXAEPZCCAGMNH-MSOLQXFVSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000635784352 451237780 /nfs/dbraw/zinc/23/77/80/451237780.db2.gz DVXAEPZCCAGMNH-MSOLQXFVSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000635784352 451237786 /nfs/dbraw/zinc/23/77/86/451237786.db2.gz DVXAEPZCCAGMNH-MSOLQXFVSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+](C)CC1(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000635785271 451239003 /nfs/dbraw/zinc/23/90/03/451239003.db2.gz JWDUBFLVMGDFJW-QGZVFWFLSA-N 2 1 331.460 1.211 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638098455 451263510 /nfs/dbraw/zinc/26/35/10/451263510.db2.gz GCEOMVCJQGUXPW-KRWDZBQOSA-N 2 1 331.460 1.102 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C)c3)C2)C1 ZINC000634275835 451265348 /nfs/dbraw/zinc/26/53/48/451265348.db2.gz VHMGDRKHQYYBDG-MSOLQXFVSA-N 2 1 331.460 1.406 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C)c3)C2)C1 ZINC000634275835 451265353 /nfs/dbraw/zinc/26/53/53/451265353.db2.gz VHMGDRKHQYYBDG-MSOLQXFVSA-N 2 1 331.460 1.406 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)C1 ZINC000634275835 451265358 /nfs/dbraw/zinc/26/53/58/451265358.db2.gz VHMGDRKHQYYBDG-MSOLQXFVSA-N 2 1 331.460 1.406 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C)c3)C2)C1 ZINC000634275835 451265362 /nfs/dbraw/zinc/26/53/62/451265362.db2.gz VHMGDRKHQYYBDG-MSOLQXFVSA-N 2 1 331.460 1.406 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(S(N)(=O)=O)s2)[C@@H](C)C1 ZINC000638111451 451279525 /nfs/dbraw/zinc/27/95/25/451279525.db2.gz DZLHZLYWPFNRNF-AAEUAGOBSA-N 2 1 331.507 1.558 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000638120744 451290480 /nfs/dbraw/zinc/29/04/80/451290480.db2.gz CCQRQUXESXHWAN-RBUKOAKNSA-N 2 1 344.503 1.390 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000638120744 451290484 /nfs/dbraw/zinc/29/04/84/451290484.db2.gz CCQRQUXESXHWAN-RBUKOAKNSA-N 2 1 344.503 1.390 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638198510 451351252 /nfs/dbraw/zinc/35/12/52/451351252.db2.gz CBXVEMBTUKWHDC-QZTJIDSGSA-N 3 1 344.503 1.756 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635928380 451372417 /nfs/dbraw/zinc/37/24/17/451372417.db2.gz FMYOPRZFZZAXOB-QRFRQXIXSA-N 2 1 345.487 1.591 20 0 EDADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638274430 451393172 /nfs/dbraw/zinc/39/31/72/451393172.db2.gz FVYTYWDIMCOXCK-VQIMIIECSA-N 2 1 346.519 1.634 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000638285584 451403131 /nfs/dbraw/zinc/40/31/31/451403131.db2.gz JGDXKZFBQLHVBK-PKOBYXMFSA-N 2 1 327.472 1.818 20 0 EDADMP [NH3+][C@H]1CC=C(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638346424 451449486 /nfs/dbraw/zinc/44/94/86/451449486.db2.gz BWIBYAXNXIPUOO-KRWDZBQOSA-N 2 1 328.460 1.144 20 0 EDADMP CO[C@@H](C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000638364150 451461657 /nfs/dbraw/zinc/46/16/57/451461657.db2.gz CTCLTNLCQICWQQ-SFHVURJKSA-N 2 1 331.460 1.589 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636755824 451477697 /nfs/dbraw/zinc/47/76/97/451477697.db2.gz LKTOKOJMDUIADJ-JKSUJKDBSA-N 2 1 326.485 1.007 20 0 EDADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636755824 451477702 /nfs/dbraw/zinc/47/77/02/451477702.db2.gz LKTOKOJMDUIADJ-JKSUJKDBSA-N 2 1 326.485 1.007 20 0 EDADMP O[C@@]1(C[NH2+]CCOC[C@@H]2CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704710 451481082 /nfs/dbraw/zinc/48/10/82/451481082.db2.gz OJJCTLLACSYSNK-RTBURBONSA-N 2 1 334.460 1.266 20 0 EDADMP O[C@@]1(C[NH2+]CCOC[C@@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704710 451481086 /nfs/dbraw/zinc/48/10/86/451481086.db2.gz OJJCTLLACSYSNK-RTBURBONSA-N 2 1 334.460 1.266 20 0 EDADMP C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000634710609 451489269 /nfs/dbraw/zinc/48/92/69/451489269.db2.gz BHRGGRJTRZHSAZ-XLIONFOSSA-N 2 1 329.488 1.863 20 0 EDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000634710609 451489274 /nfs/dbraw/zinc/48/92/74/451489274.db2.gz BHRGGRJTRZHSAZ-XLIONFOSSA-N 3 1 329.488 1.863 20 0 EDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000634710609 451489282 /nfs/dbraw/zinc/48/92/82/451489282.db2.gz BHRGGRJTRZHSAZ-XLIONFOSSA-N 3 1 329.488 1.863 20 0 EDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000634710609 451489287 /nfs/dbraw/zinc/48/92/87/451489287.db2.gz BHRGGRJTRZHSAZ-XLIONFOSSA-N 3 1 329.488 1.863 20 0 EDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000634710609 451489293 /nfs/dbraw/zinc/48/92/93/451489293.db2.gz BHRGGRJTRZHSAZ-XLIONFOSSA-N 3 1 329.488 1.863 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1OC ZINC000634710634 451489939 /nfs/dbraw/zinc/48/99/39/451489939.db2.gz BNAUVDJIMUZGLR-ZSYWTGECSA-N 2 1 334.460 1.405 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1OC ZINC000634710634 451489943 /nfs/dbraw/zinc/48/99/43/451489943.db2.gz BNAUVDJIMUZGLR-ZSYWTGECSA-N 2 1 334.460 1.405 20 0 EDADMP CC(C)COC[C@H](O)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719360 451499388 /nfs/dbraw/zinc/49/93/88/451499388.db2.gz SLKAULOCRIFDNP-RTBURBONSA-N 2 1 336.476 1.247 20 0 EDADMP CC(C)COC[C@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719360 451499396 /nfs/dbraw/zinc/49/93/96/451499396.db2.gz SLKAULOCRIFDNP-RTBURBONSA-N 2 1 336.476 1.247 20 0 EDADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000636782303 451503983 /nfs/dbraw/zinc/50/39/83/451503983.db2.gz RDSGTPZGMASCTO-WBVHZDCISA-N 2 1 348.491 1.482 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000636786354 451507133 /nfs/dbraw/zinc/50/71/33/451507133.db2.gz PSOGWXRVACXRJY-MSOLQXFVSA-N 2 1 346.475 1.017 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000636786354 451507136 /nfs/dbraw/zinc/50/71/36/451507136.db2.gz PSOGWXRVACXRJY-MSOLQXFVSA-N 2 1 346.475 1.017 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000636786354 451507139 /nfs/dbraw/zinc/50/71/39/451507139.db2.gz PSOGWXRVACXRJY-MSOLQXFVSA-N 2 1 346.475 1.017 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000638448911 451521117 /nfs/dbraw/zinc/52/11/17/451521117.db2.gz UCJISGSNJRZHRS-HOCLYGCPSA-N 2 1 337.414 1.964 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000638448911 451521119 /nfs/dbraw/zinc/52/11/19/451521119.db2.gz UCJISGSNJRZHRS-HOCLYGCPSA-N 2 1 337.414 1.964 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000638514697 451553760 /nfs/dbraw/zinc/55/37/60/451553760.db2.gz WHYMBDSADPUOSK-ROUUACIJSA-N 2 1 333.476 1.719 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638543102 451569927 /nfs/dbraw/zinc/56/99/27/451569927.db2.gz QDMOOJOYJIKDCD-UHFFFAOYSA-N 2 1 349.475 1.409 20 0 EDADMP C[C@@H](C(=O)NC1CCCCC1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640826517 451611906 /nfs/dbraw/zinc/61/19/06/451611906.db2.gz JKPSIKMEHPKAKM-AWEZNQCLSA-N 2 1 348.495 1.254 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000636244965 451615640 /nfs/dbraw/zinc/61/56/40/451615640.db2.gz PZEJQRCYXDGBGS-RTBURBONSA-N 2 1 344.503 1.261 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000636244965 451615643 /nfs/dbraw/zinc/61/56/43/451615643.db2.gz PZEJQRCYXDGBGS-RTBURBONSA-N 2 1 344.503 1.261 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000636244965 451615648 /nfs/dbraw/zinc/61/56/48/451615648.db2.gz PZEJQRCYXDGBGS-RTBURBONSA-N 2 1 344.503 1.261 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000636244965 451615653 /nfs/dbraw/zinc/61/56/53/451615653.db2.gz PZEJQRCYXDGBGS-RTBURBONSA-N 2 1 344.503 1.261 20 0 EDADMP O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000631253280 451664451 /nfs/dbraw/zinc/66/44/51/451664451.db2.gz FKYMHIISKDWPAL-XOSAIJSUSA-N 2 1 341.521 1.596 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000638645076 451628720 /nfs/dbraw/zinc/62/87/20/451628720.db2.gz UIKJVKFGCUHCRD-AEFFLSMTSA-N 2 1 330.476 1.061 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638766922 451684359 /nfs/dbraw/zinc/68/43/59/451684359.db2.gz ZINGCAKVZCDOLN-BOLBYERCSA-N 2 1 343.471 1.392 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000638727879 451667428 /nfs/dbraw/zinc/66/74/28/451667428.db2.gz NCLIJTMXRKVXGH-GWCFXTLKSA-N 2 1 326.238 1.659 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000638727879 451667432 /nfs/dbraw/zinc/66/74/32/451667432.db2.gz NCLIJTMXRKVXGH-GWCFXTLKSA-N 2 1 326.238 1.659 20 0 EDADMP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638737947 451670721 /nfs/dbraw/zinc/67/07/21/451670721.db2.gz GSEBGYJSPWIHSK-UHFFFAOYSA-N 2 1 327.513 1.047 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000636473573 451726485 /nfs/dbraw/zinc/72/64/85/451726485.db2.gz CQKVHGKDFGRJDM-MSOLQXFVSA-N 2 1 348.491 1.435 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000637117905 451729983 /nfs/dbraw/zinc/72/99/83/451729983.db2.gz DVCMVIWEKGSFHR-IRXDYDNUSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000637117905 451729986 /nfs/dbraw/zinc/72/99/86/451729986.db2.gz DVCMVIWEKGSFHR-IRXDYDNUSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000637117905 451729990 /nfs/dbraw/zinc/72/99/90/451729990.db2.gz DVCMVIWEKGSFHR-IRXDYDNUSA-N 2 1 338.496 1.149 20 0 EDADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000637138551 451738492 /nfs/dbraw/zinc/73/84/92/451738492.db2.gz QLGAKEUYQLRYTD-JFIYKMOQSA-N 2 1 348.491 1.352 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639020393 451753069 /nfs/dbraw/zinc/75/30/69/451753069.db2.gz FGVSGLPAGGALLS-OTWHNJEPSA-N 2 1 342.487 1.894 20 0 EDADMP CC[NH2+]Cc1ccn(Cc2cn(CCCCn3cc[nH+]c3C)nn2)n1 ZINC000641149107 451762678 /nfs/dbraw/zinc/76/26/78/451762678.db2.gz ATNKYVWRTQFAKL-UHFFFAOYSA-N 2 1 342.451 1.618 20 0 EDADMP C[NH2+]C(C)(C)c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641229341 451790753 /nfs/dbraw/zinc/79/07/53/451790753.db2.gz HXLSGUHBZNCPQL-SFHVURJKSA-N 2 1 329.448 1.370 20 0 EDADMP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCN(c3ccccc3)C2)CC1=O ZINC000639287601 451807734 /nfs/dbraw/zinc/80/77/34/451807734.db2.gz FYKQCZNHYCYMMY-QGZVFWFLSA-N 2 1 330.476 1.219 20 0 EDADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)CC1=O ZINC000639287601 451807739 /nfs/dbraw/zinc/80/77/39/451807739.db2.gz FYKQCZNHYCYMMY-QGZVFWFLSA-N 2 1 330.476 1.219 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NCC[C@H](C)[NH+](C)C)cc1 ZINC000637385384 451816437 /nfs/dbraw/zinc/81/64/37/451816437.db2.gz AOWTWDJJLKIXRZ-DOTOQJQBSA-N 2 1 348.491 1.909 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NCC[C@H](C)[NH+](C)C)cc1 ZINC000637385384 451816441 /nfs/dbraw/zinc/81/64/41/451816441.db2.gz AOWTWDJJLKIXRZ-DOTOQJQBSA-N 2 1 348.491 1.909 20 0 EDADMP Cn1cc(CCC[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000639307732 451817953 /nfs/dbraw/zinc/81/79/53/451817953.db2.gz GIHRVXNCXBVUHX-IBGZPJMESA-N 2 1 328.460 1.709 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)C1CC1 ZINC000644549438 451855012 /nfs/dbraw/zinc/85/50/12/451855012.db2.gz CMSWFPMLMAWPQM-UKRRQHHQSA-N 2 1 325.403 1.588 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)C1CC1 ZINC000644549438 451855016 /nfs/dbraw/zinc/85/50/16/451855016.db2.gz CMSWFPMLMAWPQM-UKRRQHHQSA-N 2 1 325.403 1.588 20 0 EDADMP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CN1CCOCC1 ZINC000644572195 451868816 /nfs/dbraw/zinc/86/88/16/451868816.db2.gz SDBKUNJLCDFYGE-IEBWSBKVSA-N 2 1 335.492 1.037 20 0 EDADMP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CN1CCOCC1 ZINC000644572195 451868822 /nfs/dbraw/zinc/86/88/22/451868822.db2.gz SDBKUNJLCDFYGE-IEBWSBKVSA-N 2 1 335.492 1.037 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2cncn2C1 ZINC000649210876 451907110 /nfs/dbraw/zinc/90/71/10/451907110.db2.gz PXCFIYKGILPFSK-SJLPKXTDSA-N 2 1 347.507 1.320 20 0 EDADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000649271547 451944205 /nfs/dbraw/zinc/94/42/05/451944205.db2.gz LWFCXVKPMWQUOQ-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649280946 451953026 /nfs/dbraw/zinc/95/30/26/451953026.db2.gz XMPPJIHLSYPCKZ-HZPDHXFCSA-N 2 1 339.867 1.813 20 0 EDADMP COC[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000649287589 451961122 /nfs/dbraw/zinc/96/11/22/451961122.db2.gz SEQLUVSDXDWLOR-HXUWFJFHSA-N 2 1 345.487 1.798 20 0 EDADMP CCCn1ccnc1CCC[N@@H+](C)C[C@H](O)CC1(O)CCOCC1 ZINC000639611581 451974463 /nfs/dbraw/zinc/97/44/63/451974463.db2.gz BNOHQWRYXLAOFF-MRXNPFEDSA-N 2 1 339.480 1.450 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)CC1(O)CCOCC1 ZINC000639611581 451974468 /nfs/dbraw/zinc/97/44/68/451974468.db2.gz BNOHQWRYXLAOFF-MRXNPFEDSA-N 2 1 339.480 1.450 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)CC1(O)CCOCC1 ZINC000639611581 451974471 /nfs/dbraw/zinc/97/44/71/451974471.db2.gz BNOHQWRYXLAOFF-MRXNPFEDSA-N 2 1 339.480 1.450 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649310521 451987859 /nfs/dbraw/zinc/98/78/59/451987859.db2.gz QCZFWSBEAGSGGU-LSDHHAIUSA-N 2 1 334.468 1.197 20 0 EDADMP CN(C(=O)CCc1cncnc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000644795686 451993836 /nfs/dbraw/zinc/99/38/36/451993836.db2.gz JKVNSOOUKYQOMI-KRWDZBQOSA-N 2 1 331.464 1.036 20 0 EDADMP CN(C(=O)CCc1cncnc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644795686 451993841 /nfs/dbraw/zinc/99/38/41/451993841.db2.gz JKVNSOOUKYQOMI-KRWDZBQOSA-N 2 1 331.464 1.036 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649340114 452020851 /nfs/dbraw/zinc/02/08/51/452020851.db2.gz CRXPEOLZYXLHGV-JCHJZTRSSA-N 2 1 345.487 1.767 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649340114 452020855 /nfs/dbraw/zinc/02/08/55/452020855.db2.gz CRXPEOLZYXLHGV-JCHJZTRSSA-N 2 1 345.487 1.767 20 0 EDADMP COC[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000651710640 452028591 /nfs/dbraw/zinc/02/85/91/452028591.db2.gz IYAUXBNBIOTRSP-IAGOWNOFSA-N 2 1 327.513 1.434 20 0 EDADMP COc1ccccc1NC(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000643080941 452034279 /nfs/dbraw/zinc/03/42/79/452034279.db2.gz NJZOSIKRLACSSG-HNAYVOBHSA-N 2 1 347.459 1.852 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000649356259 452039404 /nfs/dbraw/zinc/03/94/04/452039404.db2.gz HYKFDCYSZVIMRH-SOLBZPMBSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@H]([NH2+]C1CC1)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000647094134 452056287 /nfs/dbraw/zinc/05/62/87/452056287.db2.gz BXVDVCOWAGVQKH-ZDUSSCGKSA-N 2 1 345.491 1.723 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000649414519 452075796 /nfs/dbraw/zinc/07/57/96/452075796.db2.gz FAEVRBNNUOGRFO-MOPGFXCFSA-N 2 1 346.519 1.449 20 0 EDADMP Cc1ncsc1CC[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000649420730 452083578 /nfs/dbraw/zinc/08/35/78/452083578.db2.gz DWNBEQWZBNVTKQ-CABCVRRESA-N 2 1 349.504 1.214 20 0 EDADMP O=C(NC1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637797736 452087937 /nfs/dbraw/zinc/08/79/37/452087937.db2.gz GYGKHGPKQBWZAT-ICSRJNTNSA-N 2 1 343.471 1.393 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000639762811 452102226 /nfs/dbraw/zinc/10/22/26/452102226.db2.gz OPBZUDVKBUCKLS-GOSISDBHSA-N 2 1 325.497 1.462 20 0 EDADMP COc1cc2[nH+]ccc(N[C@H](C)[C@H]3C[N@H+](C)CCO3)c2cc1OC ZINC000665707869 452270685 /nfs/dbraw/zinc/27/06/85/452270685.db2.gz QASPANRQBDEJRL-KZULUSFZSA-N 2 1 331.416 1.805 20 0 EDADMP COc1cc2[nH+]ccc(N[C@H](C)[C@H]3C[N@@H+](C)CCO3)c2cc1OC ZINC000665707869 452270691 /nfs/dbraw/zinc/27/06/91/452270691.db2.gz QASPANRQBDEJRL-KZULUSFZSA-N 2 1 331.416 1.805 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000641802524 452278329 /nfs/dbraw/zinc/27/83/29/452278329.db2.gz MHHPFXBEPNNIMU-KBPBESRZSA-N 2 1 332.473 1.670 20 0 EDADMP CC[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000659433880 452278412 /nfs/dbraw/zinc/27/84/12/452278412.db2.gz GZXNYZOFABOSIN-VDUSKEEQSA-N 2 1 342.487 1.875 20 0 EDADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657499277 452282063 /nfs/dbraw/zinc/28/20/63/452282063.db2.gz CBNXVYOULXQDGG-SFHVURJKSA-N 2 1 334.460 1.791 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641805797 452282964 /nfs/dbraw/zinc/28/29/64/452282964.db2.gz OPBLFPYWWPODDM-IUIKQTSFSA-N 2 1 335.448 1.596 20 0 EDADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000641804955 452284130 /nfs/dbraw/zinc/28/41/30/452284130.db2.gz MHXWGOOMEMZKON-GVAFMPQTSA-N 2 1 333.432 1.047 20 0 EDADMP C[C@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487543 452286319 /nfs/dbraw/zinc/28/63/19/452286319.db2.gz HDBNXDDPRUQGJA-PDOICOKGSA-N 2 1 345.487 1.532 20 0 EDADMP C[C@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487543 452286332 /nfs/dbraw/zinc/28/63/32/452286332.db2.gz HDBNXDDPRUQGJA-PDOICOKGSA-N 2 1 345.487 1.532 20 0 EDADMP C[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)[N@@H+]1CCc2sccc2C1 ZINC000659438246 452286990 /nfs/dbraw/zinc/28/69/90/452286990.db2.gz REMBEWVIZPYVAK-SFYCDEOASA-N 2 1 334.489 1.546 20 0 EDADMP C[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)[N@H+]1CCc2sccc2C1 ZINC000659438246 452286992 /nfs/dbraw/zinc/28/69/92/452286992.db2.gz REMBEWVIZPYVAK-SFYCDEOASA-N 2 1 334.489 1.546 20 0 EDADMP CCCN(C(=O)NC[C@H](C)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000645310560 452287628 /nfs/dbraw/zinc/28/76/28/452287628.db2.gz XZOCADHHYAAKDJ-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP CCCN(C(=O)NC[C@H](C)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645310560 452287635 /nfs/dbraw/zinc/28/76/35/452287635.db2.gz XZOCADHHYAAKDJ-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP COc1ccc(CCNC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1OC ZINC000641808181 452287684 /nfs/dbraw/zinc/28/76/84/452287684.db2.gz XJQUCSPSBYNTNC-JKSUJKDBSA-N 2 1 335.448 1.078 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659454007 452304943 /nfs/dbraw/zinc/30/49/43/452304943.db2.gz CBNGQSWIJRRPTO-MRXNPFEDSA-N 2 1 340.537 1.456 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000652120493 452317686 /nfs/dbraw/zinc/31/76/86/452317686.db2.gz WMSAAJMTSPVNHR-SFHVURJKSA-N 2 1 348.491 1.562 20 0 EDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000639987037 452318737 /nfs/dbraw/zinc/31/87/37/452318737.db2.gz VBJMKKFZCUKSPB-KRWDZBQOSA-N 2 1 340.508 1.883 20 0 EDADMP CCCN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CC[N@@H+](C)C1 ZINC000645343904 452321955 /nfs/dbraw/zinc/32/19/55/452321955.db2.gz SCJSPQIELZOBJR-HOCLYGCPSA-N 2 1 328.526 1.549 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000661515327 452322581 /nfs/dbraw/zinc/32/25/81/452322581.db2.gz RBMRLDBLEOTHEE-HOTGVXAUSA-N 2 1 338.496 1.412 20 0 EDADMP Cc1ncsc1CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665757372 452324568 /nfs/dbraw/zinc/32/45/68/452324568.db2.gz HTILQOTXXGBWRL-ZDUSSCGKSA-N 2 1 341.525 1.865 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659481645 452342069 /nfs/dbraw/zinc/34/20/69/452342069.db2.gz JTMHYUMUNWUQMC-RKTXRCNFSA-N 2 1 334.439 1.588 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C1CC1 ZINC000659483635 452344931 /nfs/dbraw/zinc/34/49/31/452344931.db2.gz CGLMDYGDROQSGE-KZNAEPCWSA-N 2 1 348.466 1.978 20 0 EDADMP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000640016933 452356809 /nfs/dbraw/zinc/35/68/09/452356809.db2.gz HEYUMQXMQIDVFW-OAHLLOKOSA-N 2 1 331.526 1.464 20 0 EDADMP Cc1ccc(O)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)n1 ZINC000657595891 452363795 /nfs/dbraw/zinc/36/37/95/452363795.db2.gz SJEVJSQWDLSLPQ-KRWDZBQOSA-N 2 1 327.428 1.952 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cnc(C[NH3+])nc2)CC1 ZINC000638064034 452364263 /nfs/dbraw/zinc/36/42/63/452364263.db2.gz YUKFITJXMKWFIL-UHFFFAOYSA-N 2 1 339.443 1.592 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc4n3CCC4)cc2)C1 ZINC000657597482 452366059 /nfs/dbraw/zinc/36/60/59/452366059.db2.gz PZSFCCOWFZSOEG-GOSISDBHSA-N 2 1 326.444 1.686 20 0 EDADMP COCCOCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000649895547 452369110 /nfs/dbraw/zinc/36/91/10/452369110.db2.gz QJKFRNBRLAZRDW-GOSISDBHSA-N 2 1 327.513 1.530 20 0 EDADMP COCCOCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000649895547 452369120 /nfs/dbraw/zinc/36/91/20/452369120.db2.gz QJKFRNBRLAZRDW-GOSISDBHSA-N 2 1 327.513 1.530 20 0 EDADMP CC[C@]1(O)CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000640035742 452371284 /nfs/dbraw/zinc/37/12/84/452371284.db2.gz NAWNOYKUGIFBRC-MJGOQNOKSA-N 2 1 333.476 1.642 20 0 EDADMP C[NH+](C)CC1CCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638066337 452371344 /nfs/dbraw/zinc/37/13/44/452371344.db2.gz GSFSODWNQRKFFO-GOSISDBHSA-N 2 1 332.492 1.246 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000638066337 452371359 /nfs/dbraw/zinc/37/13/59/452371359.db2.gz GSFSODWNQRKFFO-GOSISDBHSA-N 2 1 332.492 1.246 20 0 EDADMP CC[C@@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000638069596 452373094 /nfs/dbraw/zinc/37/30/94/452373094.db2.gz RBSJDHCVKGGYCD-ICSRJNTNSA-N 2 1 345.487 1.695 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CS1 ZINC000665808687 452385909 /nfs/dbraw/zinc/38/59/09/452385909.db2.gz FMVSMLKQDWXXTR-IJEWVQPXSA-N 2 1 340.537 1.690 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CS1 ZINC000665808687 452385918 /nfs/dbraw/zinc/38/59/18/452385918.db2.gz FMVSMLKQDWXXTR-IJEWVQPXSA-N 2 1 340.537 1.690 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC1C[NH2+]C1 ZINC000652210968 452404151 /nfs/dbraw/zinc/40/41/51/452404151.db2.gz OWZUGHHNMCDUOV-ARFHVFGLSA-N 2 1 330.476 1.899 20 0 EDADMP [NH3+]CC1(CCNC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000659559050 452414943 /nfs/dbraw/zinc/41/49/43/452414943.db2.gz IAIQWAKPEFQXKM-QGZVFWFLSA-N 2 1 346.475 1.181 20 0 EDADMP CN(C(=O)NCC1([NH3+])CCCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659571994 452427473 /nfs/dbraw/zinc/42/74/73/452427473.db2.gz CVZMLDIZLYPNAM-INIZCTEOSA-N 2 1 337.512 1.068 20 0 EDADMP CN(C(=O)NCC1([NH3+])CCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659571994 452427482 /nfs/dbraw/zinc/42/74/82/452427482.db2.gz CVZMLDIZLYPNAM-INIZCTEOSA-N 2 1 337.512 1.068 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCCC2)[C@H](Cc2ccccc2)C1 ZINC000659575743 452430685 /nfs/dbraw/zinc/43/06/85/452430685.db2.gz WGOZYIGUDSWCAC-QGZVFWFLSA-N 2 1 330.476 1.826 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC2([NH3+])CCCC2)[C@H](Cc2ccccc2)C1 ZINC000659575743 452430691 /nfs/dbraw/zinc/43/06/91/452430691.db2.gz WGOZYIGUDSWCAC-QGZVFWFLSA-N 2 1 330.476 1.826 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659609571 452466211 /nfs/dbraw/zinc/46/62/11/452466211.db2.gz KCDXAOMPZDWXLT-KLHDSHLOSA-N 2 1 336.480 1.009 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659610945 452468384 /nfs/dbraw/zinc/46/83/84/452468384.db2.gz LXNHZHGNWSHPPG-QPIRBTGLSA-N 2 1 342.487 1.697 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C1 ZINC000663775190 452504668 /nfs/dbraw/zinc/50/46/68/452504668.db2.gz VGDPZGSTLJGRAY-MSOLQXFVSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000663775190 452504681 /nfs/dbraw/zinc/50/46/81/452504681.db2.gz VGDPZGSTLJGRAY-MSOLQXFVSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000663775190 452504687 /nfs/dbraw/zinc/50/46/87/452504687.db2.gz VGDPZGSTLJGRAY-MSOLQXFVSA-N 2 1 346.475 1.147 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)NCC3CCCCC3)C2)C1 ZINC000652345637 452518885 /nfs/dbraw/zinc/51/88/85/452518885.db2.gz HHEXXLFJVCZSDN-KSZLIROESA-N 2 1 337.508 1.901 20 0 EDADMP COc1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652346027 452520881 /nfs/dbraw/zinc/52/08/81/452520881.db2.gz RMHGNTGBLLGKMC-RLFYNMQTSA-N 2 1 347.459 1.852 20 0 EDADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347264 452522496 /nfs/dbraw/zinc/52/24/96/452522496.db2.gz XFIZOLKFJLSLHY-MWDXBVQZSA-N 2 1 325.497 1.900 20 0 EDADMP O=C(CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Nc1ccccn1 ZINC000655701291 452522570 /nfs/dbraw/zinc/52/25/70/452522570.db2.gz RBNAHXXGYYLLLV-MRXNPFEDSA-N 2 1 332.448 1.643 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3nc(-c4ccccn4)no3)C2)C1 ZINC000652348456 452523371 /nfs/dbraw/zinc/52/33/71/452523371.db2.gz FFPYDSXPOBGLFZ-SQWLQELKSA-N 2 1 343.431 1.850 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000652353957 452530868 /nfs/dbraw/zinc/53/08/68/452530868.db2.gz IIVTXNSHCCETBI-FUHWJXTLSA-N 2 1 333.476 1.939 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000652353957 452530877 /nfs/dbraw/zinc/53/08/77/452530877.db2.gz IIVTXNSHCCETBI-FUHWJXTLSA-N 2 1 333.476 1.939 20 0 EDADMP CC1(C)CN(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000655714497 452531695 /nfs/dbraw/zinc/53/16/95/452531695.db2.gz FZICTRWIGBPHHR-QGZVFWFLSA-N 2 1 325.497 1.330 20 0 EDADMP CC(C)CN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C1CC1 ZINC000652361562 452542441 /nfs/dbraw/zinc/54/24/41/452542441.db2.gz KGQGEACELYOKCH-CGTJXYLNSA-N 2 1 337.508 1.994 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)NCc2ccccc2)C1 ZINC000652360919 452542507 /nfs/dbraw/zinc/54/25/07/452542507.db2.gz TZAJGSDCAHLAFU-KZNAEPCWSA-N 2 1 331.460 1.664 20 0 EDADMP Clc1ccc(OCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)nc1 ZINC000655733848 452546252 /nfs/dbraw/zinc/54/62/52/452546252.db2.gz SVPBPZXRFWKEOI-OAHLLOKOSA-N 2 1 325.840 1.957 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659688600 452566106 /nfs/dbraw/zinc/56/61/06/452566106.db2.gz CFNBKYOUQADIAK-OAHLLOKOSA-N 2 1 338.496 1.145 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000655851021 452608544 /nfs/dbraw/zinc/60/85/44/452608544.db2.gz HZCXNJTWTGFTJA-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000655851021 452608553 /nfs/dbraw/zinc/60/85/53/452608553.db2.gz HZCXNJTWTGFTJA-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000655851021 452608561 /nfs/dbraw/zinc/60/85/61/452608561.db2.gz HZCXNJTWTGFTJA-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663887284 452611164 /nfs/dbraw/zinc/61/11/64/452611164.db2.gz GZAADMOOYXQHNP-RHSMWYFYSA-N 2 1 349.479 1.068 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000663887284 452611171 /nfs/dbraw/zinc/61/11/71/452611171.db2.gz GZAADMOOYXQHNP-RHSMWYFYSA-N 2 1 349.479 1.068 20 0 EDADMP CC[NH+]1CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000666156344 452649495 /nfs/dbraw/zinc/64/94/95/452649495.db2.gz USXCGONXDZJSAR-UHFFFAOYSA-N 2 1 345.491 1.641 20 0 EDADMP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655907214 452664466 /nfs/dbraw/zinc/66/44/66/452664466.db2.gz DMXOKGVCMQDMOD-IRXDYDNUSA-N 2 1 329.448 1.866 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1C[C@H](C)n2ccnc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583200 452668317 /nfs/dbraw/zinc/66/83/17/452668317.db2.gz KEPAPEKCUPFULE-ZQNQSHIBSA-N 2 1 335.452 1.686 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1C[C@H](C)n2ccnc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583200 452668319 /nfs/dbraw/zinc/66/83/19/452668319.db2.gz KEPAPEKCUPFULE-ZQNQSHIBSA-N 2 1 335.452 1.686 20 0 EDADMP [NH3+]C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(F)(F)F ZINC000655921581 452683798 /nfs/dbraw/zinc/68/37/98/452683798.db2.gz PBEJDRLRGNOBIT-WXHSDQCUSA-N 2 1 334.386 1.534 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC000655936237 452706253 /nfs/dbraw/zinc/70/62/53/452706253.db2.gz BAVCBOGCTMIWAK-ZDUSSCGKSA-N 2 1 325.403 1.684 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658109305 452730180 /nfs/dbraw/zinc/73/01/80/452730180.db2.gz VMPDDNBYSASJCP-PKOBYXMFSA-N 3 1 340.556 1.491 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655959622 452741311 /nfs/dbraw/zinc/74/13/11/452741311.db2.gz VAVPFJKTOGWCRY-SJORKVTESA-N 2 1 344.459 1.478 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655959575 452741501 /nfs/dbraw/zinc/74/15/01/452741501.db2.gz UUFRTINCQNIFEY-IAGOWNOFSA-N 2 1 344.459 1.478 20 0 EDADMP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658138424 452746404 /nfs/dbraw/zinc/74/64/04/452746404.db2.gz NEBMKPLALFZGTB-MSOLQXFVSA-N 2 1 329.448 1.413 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656219 452768474 /nfs/dbraw/zinc/76/84/74/452768474.db2.gz NYCHWMHZQGNCNF-ARKGTOAJSA-N 2 1 326.485 1.124 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656219 452768482 /nfs/dbraw/zinc/76/84/82/452768482.db2.gz NYCHWMHZQGNCNF-ARKGTOAJSA-N 2 1 326.485 1.124 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)cc1 ZINC000652625052 452783903 /nfs/dbraw/zinc/78/39/03/452783903.db2.gz UVWRVWDROGWTPQ-UHFFFAOYSA-N 2 1 334.464 1.439 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654728965 452843841 /nfs/dbraw/zinc/84/38/41/452843841.db2.gz BRHHBASIIJNAAV-CVEARBPZSA-N 2 1 338.496 1.101 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3([NH3+])CCC3)cc2)C1 ZINC000645845792 452845316 /nfs/dbraw/zinc/84/53/16/452845316.db2.gz DPMKYKWTKOFZGO-HNNXBMFYSA-N 2 1 344.459 1.594 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC[N@H+]2C2CC2)c1 ZINC000648161577 452872017 /nfs/dbraw/zinc/87/20/17/452872017.db2.gz NBAMYTHYGXMXMP-LFDJNIOPSA-N 2 1 341.455 1.555 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000662142858 452878548 /nfs/dbraw/zinc/87/85/48/452878548.db2.gz OWKYEZMFTOHJMN-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000662142858 452878560 /nfs/dbraw/zinc/87/85/60/452878560.db2.gz OWKYEZMFTOHJMN-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000662142858 452878573 /nfs/dbraw/zinc/87/85/73/452878573.db2.gz OWKYEZMFTOHJMN-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP O[C@@H]1CC[N@H+](C2CCN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000662150968 452885619 /nfs/dbraw/zinc/88/56/19/452885619.db2.gz CVBQLNNIUJUGQR-WOJBJXKFSA-N 2 1 329.488 1.792 20 0 EDADMP O[C@@H]1CC[NH+](C2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000662150968 452885626 /nfs/dbraw/zinc/88/56/26/452885626.db2.gz CVBQLNNIUJUGQR-WOJBJXKFSA-N 2 1 329.488 1.792 20 0 EDADMP O[C@@H]1CC[NH+](C2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000662150968 452885629 /nfs/dbraw/zinc/88/56/29/452885629.db2.gz CVBQLNNIUJUGQR-WOJBJXKFSA-N 2 1 329.488 1.792 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650656849 452911345 /nfs/dbraw/zinc/91/13/45/452911345.db2.gz DLVOBVNJVUVCCU-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650656849 452911356 /nfs/dbraw/zinc/91/13/56/452911356.db2.gz DLVOBVNJVUVCCU-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650656849 452911363 /nfs/dbraw/zinc/91/13/63/452911363.db2.gz DLVOBVNJVUVCCU-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650656849 452911377 /nfs/dbraw/zinc/91/13/77/452911377.db2.gz DLVOBVNJVUVCCU-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP CN(C)S(=O)(=O)c1ccccc1NCC[N@H+](C)CCC[NH+](C)C ZINC000664245423 452923816 /nfs/dbraw/zinc/92/38/16/452923816.db2.gz PYZPSJKPPRICFC-UHFFFAOYSA-N 2 1 342.509 1.232 20 0 EDADMP CN(C)S(=O)(=O)c1ccccc1NCC[N@@H+](C)CCC[NH+](C)C ZINC000664245423 452923822 /nfs/dbraw/zinc/92/38/22/452923822.db2.gz PYZPSJKPPRICFC-UHFFFAOYSA-N 2 1 342.509 1.232 20 0 EDADMP CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662254943 452984029 /nfs/dbraw/zinc/98/40/29/452984029.db2.gz VFFVNLKYRDTNEL-GOSISDBHSA-N 2 1 336.476 1.567 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000662287414 453011886 /nfs/dbraw/zinc/01/18/86/453011886.db2.gz ZOEBEHORWUEGMD-CJNGLKHVSA-N 2 1 325.478 1.544 20 0 EDADMP Cc1ccc(C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC2CC2)cn1 ZINC000646020234 453016742 /nfs/dbraw/zinc/01/67/42/453016742.db2.gz QVKJMGCEUKHKTR-UHFFFAOYSA-N 2 1 330.476 1.766 20 0 EDADMP Cc1ccc(C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC2CC2)cn1 ZINC000646020234 453016748 /nfs/dbraw/zinc/01/67/48/453016748.db2.gz QVKJMGCEUKHKTR-UHFFFAOYSA-N 2 1 330.476 1.766 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC4CC3(C[NH3+])C4)CC2)c1 ZINC000662303820 453025527 /nfs/dbraw/zinc/02/55/27/453025527.db2.gz HKLQSYBMKICSBO-UHFFFAOYSA-N 2 1 342.487 1.062 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666633516 453026198 /nfs/dbraw/zinc/02/61/98/453026198.db2.gz HCTLJBHYQYELAC-HNNXBMFYSA-N 2 1 346.475 1.855 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000654923366 453039198 /nfs/dbraw/zinc/03/91/98/453039198.db2.gz MRVREXDDBQIUDF-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000654923366 453039207 /nfs/dbraw/zinc/03/92/07/453039207.db2.gz MRVREXDDBQIUDF-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000654923366 453039213 /nfs/dbraw/zinc/03/92/13/453039213.db2.gz MRVREXDDBQIUDF-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCO[C@H](CCc3ccccc3)C2)C1 ZINC000666654976 453041222 /nfs/dbraw/zinc/04/12/22/453041222.db2.gz WCXMNRKKSQPHJK-RTBURBONSA-N 2 1 345.487 1.517 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCc1nnn(C(C)(C)C)n1 ZINC000660115475 453042961 /nfs/dbraw/zinc/04/29/61/453042961.db2.gz AEVPEYNBMKPFLX-RBSFLKMASA-N 2 1 336.484 1.154 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1nnn(C(C)(C)C)n1 ZINC000660115475 453042975 /nfs/dbraw/zinc/04/29/75/453042975.db2.gz AEVPEYNBMKPFLX-RBSFLKMASA-N 2 1 336.484 1.154 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000660120166 453046436 /nfs/dbraw/zinc/04/64/36/453046436.db2.gz DRJJLXCONKSUIE-JFIYKMOQSA-N 2 1 336.524 1.378 20 0 EDADMP CC[NH2+]CCCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662399531 453108281 /nfs/dbraw/zinc/10/82/81/453108281.db2.gz QLNIFUIGUXJWKB-UHFFFAOYSA-N 2 1 332.267 1.843 20 0 EDADMP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662399618 453109926 /nfs/dbraw/zinc/10/99/26/453109926.db2.gz XVPYQJCPMABMGM-GWCFXTLKSA-N 2 1 326.238 1.517 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662399618 453109936 /nfs/dbraw/zinc/10/99/36/453109936.db2.gz XVPYQJCPMABMGM-GWCFXTLKSA-N 2 1 326.238 1.517 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000666754810 453120884 /nfs/dbraw/zinc/12/08/84/453120884.db2.gz UTCMKXGAKOLWOI-YESZJQIVSA-N 2 1 340.512 1.203 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000662431088 453139236 /nfs/dbraw/zinc/13/92/36/453139236.db2.gz ZENWALHMSWGBDR-KRWDZBQOSA-N 2 1 344.459 1.910 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000648638932 453176560 /nfs/dbraw/zinc/17/65/60/453176560.db2.gz FEQRLKJSDDIAHD-INIZCTEOSA-N 2 1 331.526 1.511 20 0 EDADMP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000662467938 453178302 /nfs/dbraw/zinc/17/83/02/453178302.db2.gz HUFRPQZEKVWHAJ-CQSZACIVSA-N 2 1 331.464 1.577 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1noc(C2CC2)n1 ZINC000664550923 453187117 /nfs/dbraw/zinc/18/71/17/453187117.db2.gz JUJKBDNGLGQBGG-LBPRGKRZSA-N 2 1 338.456 1.018 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1noc(C2CC2)n1 ZINC000664550923 453187126 /nfs/dbraw/zinc/18/71/26/453187126.db2.gz JUJKBDNGLGQBGG-LBPRGKRZSA-N 2 1 338.456 1.018 20 0 EDADMP CCc1[nH+]ccn1Cc1cn(C[C@H]2C[N@H+](CC(C)C)CCO2)nn1 ZINC000656447344 453188334 /nfs/dbraw/zinc/18/83/34/453188334.db2.gz NOMUAGDDEKQSRU-MRXNPFEDSA-N 2 1 332.452 1.442 20 0 EDADMP CCc1[nH+]ccn1Cc1cn(C[C@H]2C[N@@H+](CC(C)C)CCO2)nn1 ZINC000656447344 453188338 /nfs/dbraw/zinc/18/83/38/453188338.db2.gz NOMUAGDDEKQSRU-MRXNPFEDSA-N 2 1 332.452 1.442 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000662482109 453196005 /nfs/dbraw/zinc/19/60/05/453196005.db2.gz HLADLAQTUJIEHF-AEFFLSMTSA-N 2 1 333.476 1.862 20 0 EDADMP C[C@H](CNC(=O)N(C)CC1C[NH+](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000660320767 453212184 /nfs/dbraw/zinc/21/21/84/453212184.db2.gz AEBUBYMFFGDCRB-CYBMUJFWSA-N 2 1 336.505 1.698 20 0 EDADMP C[C@H](CNC(=O)N(C)CC1C[NH+](C)C1)[N@H+]1CCc2sccc2C1 ZINC000660320767 453212189 /nfs/dbraw/zinc/21/21/89/453212189.db2.gz AEBUBYMFFGDCRB-CYBMUJFWSA-N 2 1 336.505 1.698 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[N@@H+]1C ZINC000648732365 453218760 /nfs/dbraw/zinc/21/87/60/453218760.db2.gz VVPVZBCUFZKWHH-CRAIPNDOSA-N 2 1 348.466 1.404 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[N@H+]1C ZINC000648732365 453218765 /nfs/dbraw/zinc/21/87/65/453218765.db2.gz VVPVZBCUFZKWHH-CRAIPNDOSA-N 2 1 348.466 1.404 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2)CC1 ZINC000646214272 453226538 /nfs/dbraw/zinc/22/65/38/453226538.db2.gz QWXNFUWGZASYDU-HOTGVXAUSA-N 2 1 339.528 1.312 20 0 EDADMP [NH3+][C@H](C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1ccccc1Br ZINC000662519267 453238304 /nfs/dbraw/zinc/23/83/04/453238304.db2.gz OUSZOPAGGOHPGS-SWHYSGLUSA-N 2 1 338.249 1.659 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CO)CCF)CC2)CC1 ZINC000655167827 453285969 /nfs/dbraw/zinc/28/59/69/453285969.db2.gz VPZHSHPKAWDHLB-OAHLLOKOSA-N 2 1 329.460 1.019 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653108641 453291633 /nfs/dbraw/zinc/29/16/33/453291633.db2.gz CJLKBDLKIGYNAE-LPHOPBHVSA-N 2 1 346.519 1.956 20 0 EDADMP C[C@H](CCNC(=O)[C@@H]([NH3+])c1ccccc1Br)[NH+](C)C ZINC000662632304 453348014 /nfs/dbraw/zinc/34/80/14/453348014.db2.gz BKHQWMQCNXAZSP-MFKMUULPSA-N 2 1 328.254 1.905 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662668211 453382644 /nfs/dbraw/zinc/38/26/44/453382644.db2.gz IWXYOMOOIBLCLH-CVEARBPZSA-N 2 1 348.495 1.587 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000658784831 453391752 /nfs/dbraw/zinc/39/17/52/453391752.db2.gz SXRMQJUMIKYZPL-QGZVFWFLSA-N 2 1 346.475 1.596 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000644395517 453399461 /nfs/dbraw/zinc/39/94/61/453399461.db2.gz KDQRKKGLKNHZKT-XBVQOTNRSA-N 2 1 338.496 1.004 20 0 EDADMP CC(C)(CNC(=O)[C@H]1CCO[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000662679872 453400177 /nfs/dbraw/zinc/40/01/77/453400177.db2.gz QQYKJRZKMQVQMY-IRXDYDNUSA-N 2 1 331.460 1.303 20 0 EDADMP [NH3+]CCCn1ccc2cc(C(=O)NCC[N@@H+]3CC=CCC3)ccc21 ZINC000646557803 453470450 /nfs/dbraw/zinc/47/04/50/453470450.db2.gz UYNIBOMWTLYOMF-UHFFFAOYSA-N 2 1 326.444 1.982 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000662743332 453471124 /nfs/dbraw/zinc/47/11/24/453471124.db2.gz XXOAYYQBXMCSLF-QGZVFWFLSA-N 2 1 330.476 1.048 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000662743332 453471131 /nfs/dbraw/zinc/47/11/31/453471131.db2.gz XXOAYYQBXMCSLF-QGZVFWFLSA-N 2 1 330.476 1.048 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662753994 453490098 /nfs/dbraw/zinc/49/00/98/453490098.db2.gz AIBBMGFVMBGACS-XHSDSOJGSA-N 2 1 346.479 1.292 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664935451 453498836 /nfs/dbraw/zinc/49/88/36/453498836.db2.gz ZGXBLNHZTVVOFC-IAGOWNOFSA-N 2 1 342.528 1.859 20 0 EDADMP COC1(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CC[NH2+]CC1 ZINC000662871999 453582938 /nfs/dbraw/zinc/58/29/38/453582938.db2.gz HJARHTWXNHICLS-GOSISDBHSA-N 2 1 345.487 1.530 20 0 EDADMP CCN(C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000665254698 453627368 /nfs/dbraw/zinc/62/73/68/453627368.db2.gz XNTPRJIKDICEKX-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP CCN(C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000665254698 453627370 /nfs/dbraw/zinc/62/73/70/453627370.db2.gz XNTPRJIKDICEKX-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP CCN(C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000665254698 453627371 /nfs/dbraw/zinc/62/73/71/453627371.db2.gz XNTPRJIKDICEKX-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP CCN(C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000665254698 453627373 /nfs/dbraw/zinc/62/73/73/453627373.db2.gz XNTPRJIKDICEKX-CAOSSQGBSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660886710 453632138 /nfs/dbraw/zinc/63/21/38/453632138.db2.gz HAUWYCGVDYBWJK-KSSFIOAISA-N 2 1 334.508 1.890 20 0 EDADMP C[C@H]1C[C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000665291404 453638217 /nfs/dbraw/zinc/63/82/17/453638217.db2.gz BFCABIXRXWIGPF-GOEBONIOSA-N 2 1 341.459 1.784 20 0 EDADMP COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291171 453638562 /nfs/dbraw/zinc/63/85/62/453638562.db2.gz VXQVAXIGYQTDGF-NSHDSACASA-N 2 1 345.403 1.156 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnnn1C1CC[NH2+]CC1 ZINC000663002732 453643541 /nfs/dbraw/zinc/64/35/41/453643541.db2.gz IDSPLJDKPCURQE-OAHLLOKOSA-N 2 1 346.479 1.054 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1(C)C ZINC000663003277 453643835 /nfs/dbraw/zinc/64/38/35/453643835.db2.gz LGCBJXYZTHKSPP-FRQCXROJSA-N 2 1 337.508 1.757 20 0 EDADMP [NH3+][C@@H]1CCCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000659249379 453685152 /nfs/dbraw/zinc/68/51/52/453685152.db2.gz RQOFKYZQURHJHJ-SSDOTTSWSA-N 2 1 330.251 1.677 20 0 EDADMP COC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000661157646 453740170 /nfs/dbraw/zinc/74/01/70/453740170.db2.gz JBFGNUMNUFPCQG-RTBURBONSA-N 2 1 336.476 1.511 20 0 EDADMP COC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000661157646 453740173 /nfs/dbraw/zinc/74/01/73/453740173.db2.gz JBFGNUMNUFPCQG-RTBURBONSA-N 2 1 336.476 1.511 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000665552699 453744808 /nfs/dbraw/zinc/74/48/08/453744808.db2.gz GUIWFTBZCZVIRP-LSDHHAIUSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000665552699 453744811 /nfs/dbraw/zinc/74/48/11/453744811.db2.gz GUIWFTBZCZVIRP-LSDHHAIUSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000665552699 453744813 /nfs/dbraw/zinc/74/48/13/453744813.db2.gz GUIWFTBZCZVIRP-LSDHHAIUSA-N 2 1 326.485 1.005 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000661209392 453760218 /nfs/dbraw/zinc/76/02/18/453760218.db2.gz HKRVHANWEUHXIV-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C(C)(C)C2)CC1 ZINC000661213122 453761551 /nfs/dbraw/zinc/76/15/51/453761551.db2.gz PVGNPTGYPKJMKD-UHFFFAOYSA-N 2 1 329.488 1.986 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C(C)(C)C2)CC1 ZINC000661213122 453761554 /nfs/dbraw/zinc/76/15/54/453761554.db2.gz PVGNPTGYPKJMKD-UHFFFAOYSA-N 2 1 329.488 1.986 20 0 EDADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000663362880 453779121 /nfs/dbraw/zinc/77/91/21/453779121.db2.gz DMAQPUXBPKSTHR-MOPGFXCFSA-N 2 1 348.487 1.886 20 0 EDADMP COc1cc(F)ccc1N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662265906 486657096 /nfs/dbraw/zinc/65/70/96/486657096.db2.gz XDBGTYIHBJYNNI-HNNXBMFYSA-N 2 1 335.423 1.477 20 0 EDADMP Cn1nnc2cc(C[NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)ccc21 ZINC000676086113 486661447 /nfs/dbraw/zinc/66/14/47/486661447.db2.gz XEQYMZLIBWLZSF-MRXNPFEDSA-N 2 1 328.464 1.180 20 0 EDADMP Cn1nnc2cc(C[NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)ccc21 ZINC000676086113 486661449 /nfs/dbraw/zinc/66/14/49/486661449.db2.gz XEQYMZLIBWLZSF-MRXNPFEDSA-N 2 1 328.464 1.180 20 0 EDADMP C[C@H](CCNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCCC1 ZINC000680292841 486741628 /nfs/dbraw/zinc/74/16/28/486741628.db2.gz WOWPGCRMLRVWPB-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](CCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCCC1 ZINC000680292841 486741630 /nfs/dbraw/zinc/74/16/30/486741630.db2.gz WOWPGCRMLRVWPB-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000576965417 486772727 /nfs/dbraw/zinc/77/27/27/486772727.db2.gz BITWGCOSHFTTFN-SJORKVTESA-N 2 1 345.491 1.858 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000576965417 486772732 /nfs/dbraw/zinc/77/27/32/486772732.db2.gz BITWGCOSHFTTFN-SJORKVTESA-N 2 1 345.491 1.858 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672707656 486771029 /nfs/dbraw/zinc/77/10/29/486771029.db2.gz HYPBPVMRIPLTFR-UHFFFAOYSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH2+]CCN(C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417589262 486801366 /nfs/dbraw/zinc/80/13/66/486801366.db2.gz VRPFTALIIMQVTE-UHFFFAOYSA-N 2 1 340.512 1.661 20 0 EDADMP C[NH2+]CCN(C)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000417264927 486796280 /nfs/dbraw/zinc/79/62/80/486796280.db2.gz ATKDVFRUWXJXJH-HNNXBMFYSA-N 2 1 334.464 1.268 20 0 EDADMP C[NH2+]CCN(C)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000417264927 486796285 /nfs/dbraw/zinc/79/62/85/486796285.db2.gz ATKDVFRUWXJXJH-HNNXBMFYSA-N 2 1 334.464 1.268 20 0 EDADMP CCO[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000680834701 486865622 /nfs/dbraw/zinc/86/56/22/486865622.db2.gz KORDCEPYTWVKCE-ROUUACIJSA-N 2 1 333.476 1.906 20 0 EDADMP CCO[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000680834701 486865627 /nfs/dbraw/zinc/86/56/27/486865627.db2.gz KORDCEPYTWVKCE-ROUUACIJSA-N 2 1 333.476 1.906 20 0 EDADMP C[C@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)C1CC[NH+](C)CC1 ZINC000683943310 486876031 /nfs/dbraw/zinc/87/60/31/486876031.db2.gz ZJJTUUMJQQTMPI-AWEZNQCLSA-N 2 1 330.476 1.672 20 0 EDADMP C[C@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)C1CC[NH+](C)CC1 ZINC000683943310 486876035 /nfs/dbraw/zinc/87/60/35/486876035.db2.gz ZJJTUUMJQQTMPI-AWEZNQCLSA-N 2 1 330.476 1.672 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000680914554 486891907 /nfs/dbraw/zinc/89/19/07/486891907.db2.gz QNZDRPIRJGPIHY-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000680914554 486891910 /nfs/dbraw/zinc/89/19/10/486891910.db2.gz QNZDRPIRJGPIHY-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000680914554 486891914 /nfs/dbraw/zinc/89/19/14/486891914.db2.gz QNZDRPIRJGPIHY-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP CN(CCCC[NH+](C)C)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673841374 487130850 /nfs/dbraw/zinc/13/08/50/487130850.db2.gz UVOVBJQPCCEGMR-LJQANCHMSA-N 2 1 333.476 1.424 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000677798884 487170532 /nfs/dbraw/zinc/17/05/32/487170532.db2.gz DQDBKRWVRICLKN-JFRXWTBNSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000677798884 487170535 /nfs/dbraw/zinc/17/05/35/487170535.db2.gz DQDBKRWVRICLKN-JFRXWTBNSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000677798884 487170538 /nfs/dbraw/zinc/17/05/38/487170538.db2.gz DQDBKRWVRICLKN-JFRXWTBNSA-N 2 1 345.487 1.611 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000677984287 487220095 /nfs/dbraw/zinc/22/00/95/487220095.db2.gz RQDPTTNXCCORKE-SFHVURJKSA-N 2 1 337.508 1.676 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nnc1C ZINC000678077055 487241576 /nfs/dbraw/zinc/24/15/76/487241576.db2.gz XETUXXLGHYEUNR-MRXNPFEDSA-N 2 1 333.480 1.582 20 0 EDADMP c1ncn(-c2ccccc2C[NH+]2CCN(CC[NH+]3CCCC3)CC2)n1 ZINC000678125887 487253411 /nfs/dbraw/zinc/25/34/11/487253411.db2.gz VVIQNRDWAUBHGF-UHFFFAOYSA-N 2 1 340.475 1.481 20 0 EDADMP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000682094074 487301301 /nfs/dbraw/zinc/30/13/01/487301301.db2.gz ZEVWFFCCPGVHAN-HNNXBMFYSA-N 2 1 346.475 1.282 20 0 EDADMP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000682094074 487301303 /nfs/dbraw/zinc/30/13/03/487301303.db2.gz ZEVWFFCCPGVHAN-HNNXBMFYSA-N 2 1 346.475 1.282 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000678603432 487340362 /nfs/dbraw/zinc/34/03/62/487340362.db2.gz UYZMRSQJDRBYDW-KBPBESRZSA-N 2 1 343.518 1.551 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000678603432 487340366 /nfs/dbraw/zinc/34/03/66/487340366.db2.gz UYZMRSQJDRBYDW-KBPBESRZSA-N 2 1 343.518 1.551 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000669539461 485522367 /nfs/dbraw/zinc/52/23/67/485522367.db2.gz ASJRTKUADZZHBI-OAGGEKHMSA-N 2 1 326.485 1.112 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000669545915 485533873 /nfs/dbraw/zinc/53/38/73/485533873.db2.gz YIKPMJQTKYCSHB-ORQFMDKSSA-N 2 1 332.448 1.189 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c(N2CCCC2)[nH+]1 ZINC000669555499 485556185 /nfs/dbraw/zinc/55/61/85/485556185.db2.gz HACRFRNPWOPVLN-CABCVRRESA-N 2 1 331.464 1.882 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000669573784 485605589 /nfs/dbraw/zinc/60/55/89/485605589.db2.gz WIPRRNNQBKVBET-BPQIPLTHSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000669573795 485606038 /nfs/dbraw/zinc/60/60/38/485606038.db2.gz YIOOVHDDAXQMTN-SZMVWBNQSA-N 2 1 346.475 1.266 20 0 EDADMP C[NH+]1CCc2[nH]c3ccc(C(=O)N[C@@H]4CCC[N@@H+](C)C4)cc3c2C1 ZINC000668330509 485629318 /nfs/dbraw/zinc/62/93/18/485629318.db2.gz SYGTWCVCUYBQAM-CQSZACIVSA-N 2 1 326.444 1.980 20 0 EDADMP C[NH+]1CCc2[nH]c3ccc(C(=O)N[C@@H]4CCC[N@H+](C)C4)cc3c2C1 ZINC000668330509 485629325 /nfs/dbraw/zinc/62/93/25/485629325.db2.gz SYGTWCVCUYBQAM-CQSZACIVSA-N 2 1 326.444 1.980 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000668330509 485629330 /nfs/dbraw/zinc/62/93/30/485629330.db2.gz SYGTWCVCUYBQAM-CQSZACIVSA-N 2 1 326.444 1.980 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000668330509 485629338 /nfs/dbraw/zinc/62/93/38/485629338.db2.gz SYGTWCVCUYBQAM-CQSZACIVSA-N 2 1 326.444 1.980 20 0 EDADMP O=C(NCC1C[NH2+]C1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000669589153 485644634 /nfs/dbraw/zinc/64/46/34/485644634.db2.gz FGEQKENZWAQYDR-KRWDZBQOSA-N 2 1 330.476 1.807 20 0 EDADMP C[C@@H](NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000672961681 485838384 /nfs/dbraw/zinc/83/83/84/485838384.db2.gz KLZNVYYCEUNPFL-CRAIPNDOSA-N 2 1 346.475 1.231 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CC3([NH3+])CCC3)c2)CCO1 ZINC000237421480 485981041 /nfs/dbraw/zinc/98/10/41/485981041.db2.gz HMCQQRYOKSJSDO-OAHLLOKOSA-N 2 1 331.460 1.795 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CC3([NH3+])CCC3)c2)CCO1 ZINC000237421480 485981046 /nfs/dbraw/zinc/98/10/46/485981046.db2.gz HMCQQRYOKSJSDO-OAHLLOKOSA-N 2 1 331.460 1.795 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CC3([NH3+])CCC3)c2)CCO1 ZINC000237636649 485995767 /nfs/dbraw/zinc/99/57/67/485995767.db2.gz HMCQQRYOKSJSDO-HNNXBMFYSA-N 2 1 331.460 1.795 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CC3([NH3+])CCC3)c2)CCO1 ZINC000237636649 485995773 /nfs/dbraw/zinc/99/57/73/485995773.db2.gz HMCQQRYOKSJSDO-HNNXBMFYSA-N 2 1 331.460 1.795 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH2+]CC1 ZINC000669420564 486140675 /nfs/dbraw/zinc/14/06/75/486140675.db2.gz QFPXXTGGAMBRGJ-GOSISDBHSA-N 2 1 330.476 1.904 20 0 EDADMP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000669930930 486517079 /nfs/dbraw/zinc/51/70/79/486517079.db2.gz PVODUWKZNIUWOY-GOSISDBHSA-N 2 1 344.503 1.881 20 0 EDADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000669930930 486517084 /nfs/dbraw/zinc/51/70/84/486517084.db2.gz PVODUWKZNIUWOY-GOSISDBHSA-N 2 1 344.503 1.881 20 0 EDADMP COC1CC[NH+](CCNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000080117565 491171430 /nfs/dbraw/zinc/17/14/30/491171430.db2.gz LYZWLBSNCINZEA-MRXNPFEDSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000249040467 535002049 /nfs/dbraw/zinc/00/20/49/535002049.db2.gz GOSZMFWYXQDSCM-XJKSGUPXSA-N 2 1 325.403 1.867 20 0 EDADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000344319505 535165927 /nfs/dbraw/zinc/16/59/27/535165927.db2.gz BULLZSWAELSLEF-UHFFFAOYSA-N 2 1 344.463 1.046 20 0 EDADMP CC(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCN(C)CC1 ZINC000298286804 535191485 /nfs/dbraw/zinc/19/14/85/535191485.db2.gz HBCYUEDFQLHKOH-HXUWFJFHSA-N 2 1 345.535 1.912 20 0 EDADMP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000111684418 535216706 /nfs/dbraw/zinc/21/67/06/535216706.db2.gz SITSVYWEYVAZPV-SFHVURJKSA-N 2 1 347.507 1.969 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000111684418 535216709 /nfs/dbraw/zinc/21/67/09/535216709.db2.gz SITSVYWEYVAZPV-SFHVURJKSA-N 2 1 347.507 1.969 20 0 EDADMP CC(C)C[C@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000236631675 535311615 /nfs/dbraw/zinc/31/16/15/535311615.db2.gz JWQQZMOKOSOZCK-QZTJIDSGSA-N 2 1 333.476 1.420 20 0 EDADMP CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000130821721 535355115 /nfs/dbraw/zinc/35/51/15/535355115.db2.gz BQAOXMQHLNRQJM-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000130821721 535355118 /nfs/dbraw/zinc/35/51/18/535355118.db2.gz BQAOXMQHLNRQJM-IBGZPJMESA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000271754303 535557029 /nfs/dbraw/zinc/55/70/29/535557029.db2.gz YHUUYASHZSVEFD-HNNXBMFYSA-N 2 1 342.505 1.930 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340042996 535563669 /nfs/dbraw/zinc/56/36/69/535563669.db2.gz KKZWBORFTUZLOS-IYBDPMFKSA-N 2 1 333.542 1.616 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC([NH2+]C3CCCC3)CC2)CC1 ZINC000111300842 535635762 /nfs/dbraw/zinc/63/57/62/535635762.db2.gz VQOKUFPYNIRZSY-INIZCTEOSA-N 2 1 336.524 1.536 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH2+]C)c1cnn(C)c1)c1ccsc1 ZINC000262329251 535676626 /nfs/dbraw/zinc/67/66/26/535676626.db2.gz GMKXENKGAALEFI-HZPDHXFCSA-N 2 1 349.504 1.941 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)s1 ZINC000347923394 536055021 /nfs/dbraw/zinc/05/50/21/536055021.db2.gz UBYDVMQILBXJEA-NUEKZKHPSA-N 2 1 338.521 1.888 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)c1cnn(C)c1 ZINC000262025736 536382859 /nfs/dbraw/zinc/38/28/59/536382859.db2.gz ACEHYOGCYJOFNY-SJORKVTESA-N 2 1 345.447 1.108 20 0 EDADMP C[NH2+][C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000262448923 536384665 /nfs/dbraw/zinc/38/46/65/536384665.db2.gz VQNHZUNHSQCUJE-SFHVURJKSA-N 2 1 341.459 1.593 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000237201251 536406353 /nfs/dbraw/zinc/40/63/53/536406353.db2.gz LKKIHLGOZRINEV-MRXNPFEDSA-N 2 1 330.432 1.155 20 0 EDADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261968333 536557202 /nfs/dbraw/zinc/55/72/02/536557202.db2.gz PRTICVRNRDLJGW-LBPRGKRZSA-N 2 1 325.840 1.636 20 0 EDADMP COc1cc(C)[nH+]c(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000270244608 536690647 /nfs/dbraw/zinc/69/06/47/536690647.db2.gz IBYKSZPWNFWXPJ-QGZVFWFLSA-N 2 1 332.448 1.137 20 0 EDADMP COc1cc(C)[nH+]c(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000270244608 536690652 /nfs/dbraw/zinc/69/06/52/536690652.db2.gz IBYKSZPWNFWXPJ-QGZVFWFLSA-N 2 1 332.448 1.137 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](CCN2CCCOCC2)CC1 ZINC000340290317 536777429 /nfs/dbraw/zinc/77/74/29/536777429.db2.gz SDYMZBDQTZSLRZ-UHFFFAOYSA-N 2 1 341.540 1.779 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCCC[NH+]2CCC(C)CC2)[N@@H+](C)C1 ZINC000345966762 536779126 /nfs/dbraw/zinc/77/91/26/536779126.db2.gz BWEDFSHXOXDSAN-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000248868284 536786243 /nfs/dbraw/zinc/78/62/43/536786243.db2.gz IDNSXNQBYSJEGD-JKSUJKDBSA-N 2 1 328.501 1.374 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000248868284 536786246 /nfs/dbraw/zinc/78/62/46/536786246.db2.gz IDNSXNQBYSJEGD-JKSUJKDBSA-N 2 1 328.501 1.374 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000248868284 536786249 /nfs/dbraw/zinc/78/62/49/536786249.db2.gz IDNSXNQBYSJEGD-JKSUJKDBSA-N 2 1 328.501 1.374 20 0 EDADMP CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000743587848 579484693 /nfs/dbraw/zinc/48/46/93/579484693.db2.gz SUCQBYSZHWSJCA-LJQANCHMSA-N 2 1 346.519 1.750 20 0 EDADMP COc1cccc([C@H](C)[NH+]2CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000728941757 578554750 /nfs/dbraw/zinc/55/47/50/578554750.db2.gz KOXATNKUVWIGIG-HKUYNNGSSA-N 2 1 347.503 1.831 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=S)NCC1CC[NH+](C)CC1 ZINC000760478430 580031728 /nfs/dbraw/zinc/03/17/28/580031728.db2.gz KBZSGXJVWUIVJC-LSDHHAIUSA-N 2 1 326.554 1.913 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3CCC4(CCOCC4)C3=O)C2)CC1 ZINC000777542149 580444095 /nfs/dbraw/zinc/44/40/95/580444095.db2.gz RFGBSUROQRZQGK-QGZVFWFLSA-N 2 1 335.492 1.637 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1)CC(F)(F)F ZINC000749118092 579713646 /nfs/dbraw/zinc/71/36/46/579713646.db2.gz XJCPOHFAYOZCAW-CABCVRRESA-N 2 1 337.430 1.649 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)NC[C@@H]1CCCO1 ZINC000751011845 579791204 /nfs/dbraw/zinc/79/12/04/579791204.db2.gz PLVCHSFVRWUEED-CVEARBPZSA-N 2 1 342.553 1.388 20 0 EDADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000751360035 579802973 /nfs/dbraw/zinc/80/29/73/579802973.db2.gz ZMPLAAJOSPDDNA-SJLPKXTDSA-N 2 1 331.460 1.660 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000751360035 579802974 /nfs/dbraw/zinc/80/29/74/579802974.db2.gz ZMPLAAJOSPDDNA-SJLPKXTDSA-N 2 1 331.460 1.660 20 0 EDADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)CC[NH+]2CCOCC2)CC1 ZINC000752747370 579864992 /nfs/dbraw/zinc/86/49/92/579864992.db2.gz KWNLOBMZADTKPD-UHFFFAOYSA-N 2 1 345.487 1.832 20 0 EDADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000764073550 580112721 /nfs/dbraw/zinc/11/27/21/580112721.db2.gz KTZNGPYJZXUPBH-GOSISDBHSA-N 2 1 330.476 1.097 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@@H](C)[C@H](O)C3)cc2)CC1 ZINC000768764693 580219704 /nfs/dbraw/zinc/21/97/04/580219704.db2.gz AKOPOWUWZHQFRB-CRAIPNDOSA-N 2 1 346.475 1.080 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3C[C@@H](C)[C@H](O)C3)cc2)CC1 ZINC000768764693 580219705 /nfs/dbraw/zinc/21/97/05/580219705.db2.gz AKOPOWUWZHQFRB-CRAIPNDOSA-N 2 1 346.475 1.080 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCNC(=O)C2)CC1 ZINC000769114282 580228875 /nfs/dbraw/zinc/22/88/75/580228875.db2.gz JSDSBNQTZNSNRE-UHFFFAOYSA-N 2 1 330.476 1.541 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCCNC(=O)C2)CC1 ZINC000769114282 580228876 /nfs/dbraw/zinc/22/88/76/580228876.db2.gz JSDSBNQTZNSNRE-UHFFFAOYSA-N 2 1 330.476 1.541 20 0 EDADMP CC[C@@H](CSC)[N@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000773256916 580331864 /nfs/dbraw/zinc/33/18/64/580331864.db2.gz VITZOODWKIKJQK-LBPRGKRZSA-N 2 1 328.482 1.034 20 0 EDADMP CC[C@@H](CSC)[N@@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000773256916 580331865 /nfs/dbraw/zinc/33/18/65/580331865.db2.gz VITZOODWKIKJQK-LBPRGKRZSA-N 2 1 328.482 1.034 20 0 EDADMP CC(C)CN(C(=O)CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1)C1CC1 ZINC000779651889 580493021 /nfs/dbraw/zinc/49/30/21/580493021.db2.gz MKPVVFABQCKOQW-OAHLLOKOSA-N 2 1 340.468 1.241 20 0 EDADMP CC(C)CN(C(=O)CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1)C1CC1 ZINC000779651889 580493022 /nfs/dbraw/zinc/49/30/22/580493022.db2.gz MKPVVFABQCKOQW-OAHLLOKOSA-N 2 1 340.468 1.241 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2nc(-c3ccccc3)no2)C1 ZINC000779653825 580493278 /nfs/dbraw/zinc/49/32/78/580493278.db2.gz MDXVBOLJNJXKTM-CQSZACIVSA-N 2 1 345.403 1.844 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2nc(-c3ccccc3)no2)C1 ZINC000779653825 580493279 /nfs/dbraw/zinc/49/32/79/580493279.db2.gz MDXVBOLJNJXKTM-CQSZACIVSA-N 2 1 345.403 1.844 20 0 EDADMP CC(C)C[C@H](C)N(C)C(=O)CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000779656405 580493701 /nfs/dbraw/zinc/49/37/01/580493701.db2.gz XULREZWMEQKLRG-LSDHHAIUSA-N 2 1 342.484 1.487 20 0 EDADMP CC(C)C[C@H](C)N(C)C(=O)CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000779656405 580493702 /nfs/dbraw/zinc/49/37/02/580493702.db2.gz XULREZWMEQKLRG-LSDHHAIUSA-N 2 1 342.484 1.487 20 0 EDADMP CC[C@H](CO)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000779804825 580497916 /nfs/dbraw/zinc/49/79/16/580497916.db2.gz WRPAFXZUVUJUCD-QGZVFWFLSA-N 2 1 339.524 1.660 20 0 EDADMP O=C1O[C@]2(CN1C[NH+]1CCC([C@H]3CCOC3)CC1)C[NH+]1CCC2CC1 ZINC000790383439 580768006 /nfs/dbraw/zinc/76/80/06/580768006.db2.gz IYECHPRJQWKDAR-LPHOPBHVSA-N 2 1 349.475 1.609 20 0 EDADMP COCC[NH+](CCOC)C1CC[NH+](CCC2OCCCO2)CC1 ZINC000796516687 580955508 /nfs/dbraw/zinc/95/55/08/580955508.db2.gz VTUWPMKXHDQFDI-UHFFFAOYSA-N 2 1 330.469 1.199 20 0 EDADMP COc1c[nH+]ccc1N1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000796567625 580956697 /nfs/dbraw/zinc/95/66/97/580956697.db2.gz NAVFGODJBUHUAJ-CQSZACIVSA-N 2 1 331.416 1.698 20 0 EDADMP CN(C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000891816124 590634033 /nfs/dbraw/zinc/63/40/33/590634033.db2.gz NVGXYRJLYUQNPS-QGZVFWFLSA-N 2 1 348.491 1.863 20 0 EDADMP C[C@]1(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC[N@H+]1Cc1ccccc1 ZINC000891819647 590637638 /nfs/dbraw/zinc/63/76/38/590637638.db2.gz HDVTZBAUNYRWNQ-JENIJYKNSA-N 2 1 328.460 1.797 20 0 EDADMP C[C@@H](CNC(=O)N1CCC([NH2+]C2CCC2)CC1)C[NH+]1CCOCC1 ZINC000893111868 590667476 /nfs/dbraw/zinc/66/74/76/590667476.db2.gz JQGDOXRZIJBUIP-HNNXBMFYSA-N 2 1 338.496 1.271 20 0 EDADMP CN(CCCCCC[NH3+])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000891881491 590668046 /nfs/dbraw/zinc/66/80/46/590668046.db2.gz XNDFMJFNNGLCHY-UHFFFAOYSA-N 2 1 327.517 1.173 20 0 EDADMP C[C@H](CNC(=O)N1CCN(C)CC[N@@H+](C)CC1)[NH+]1CCCC[C@@H]1C ZINC000891890738 590674799 /nfs/dbraw/zinc/67/47/99/590674799.db2.gz XRXGQYZKEZDSSN-DLBZAZTESA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H](CNC(=O)N1CCN(C)CC[NH+](C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000891890738 590674801 /nfs/dbraw/zinc/67/48/01/590674801.db2.gz XRXGQYZKEZDSSN-DLBZAZTESA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H](CNC(=O)N1CCN(C)CC[NH+](C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000891890738 590674802 /nfs/dbraw/zinc/67/48/02/590674802.db2.gz XRXGQYZKEZDSSN-DLBZAZTESA-N 2 1 339.528 1.138 20 0 EDADMP CCn1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c(C)n1 ZINC000891949829 590701868 /nfs/dbraw/zinc/70/18/68/590701868.db2.gz ZHVDNRFVJCEVHM-UHFFFAOYSA-N 2 1 347.507 1.588 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC[NH2+]C1CC1 ZINC000891989742 590730432 /nfs/dbraw/zinc/73/04/32/590730432.db2.gz ZMXSYTSTCXSZQH-DOTOQJQBSA-N 2 1 330.476 1.806 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)N[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000892019328 590749860 /nfs/dbraw/zinc/74/98/60/590749860.db2.gz KZLDGVNVOHMMBR-CEXWTWQISA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000892019328 590749864 /nfs/dbraw/zinc/74/98/64/590749864.db2.gz KZLDGVNVOHMMBR-CEXWTWQISA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000892019328 590749867 /nfs/dbraw/zinc/74/98/67/590749867.db2.gz KZLDGVNVOHMMBR-CEXWTWQISA-N 2 1 342.487 1.854 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)[NH+]1CCc2ccccc2C1 ZINC000892019893 590750794 /nfs/dbraw/zinc/75/07/94/590750794.db2.gz PVCUPVNKHRQKSN-AYOQOUSVSA-N 2 1 342.487 1.779 20 0 EDADMP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)nc12 ZINC000893382135 590820068 /nfs/dbraw/zinc/82/00/68/590820068.db2.gz NBVKSYQAWTTYLU-GOEBONIOSA-N 2 1 327.432 1.531 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc3[nH]c(=O)oc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892154314 590825445 /nfs/dbraw/zinc/82/54/45/590825445.db2.gz WYISAMZWXWURHP-RHSMWYFYSA-N 2 1 344.459 1.991 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000892214676 590867933 /nfs/dbraw/zinc/86/79/33/590867933.db2.gz VVLISXCHWLHNDD-STQMWFEESA-N 2 1 338.418 1.743 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000892214673 590868189 /nfs/dbraw/zinc/86/81/89/590868189.db2.gz VVLISXCHWLHNDD-CHWSQXEVSA-N 2 1 338.418 1.743 20 0 EDADMP C[N@H+]1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CCC1(C)C ZINC000892323168 590945271 /nfs/dbraw/zinc/94/52/71/590945271.db2.gz CSWYDAIOPYKBKJ-UHFFFAOYSA-N 2 1 330.476 1.958 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NCc2cccc3c2CC[NH2+]C3)CC[N@H+]1C ZINC000892343936 590971879 /nfs/dbraw/zinc/97/18/79/590971879.db2.gz XJACEELBZKELBE-WMLDXEAASA-N 2 1 330.476 1.956 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892388512 591005948 /nfs/dbraw/zinc/00/59/48/591005948.db2.gz XDGHQGQAIUTTSY-LSDHHAIUSA-N 2 1 340.512 1.251 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)[C@H]1OC ZINC000892397807 591010204 /nfs/dbraw/zinc/01/02/04/591010204.db2.gz SXRUXRFKJGWCGJ-VNTMZGSJSA-N 2 1 347.503 1.757 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1CCOC ZINC000892444777 591029856 /nfs/dbraw/zinc/02/98/56/591029856.db2.gz IEDFSXJJBXEWFS-ULQDDVLXSA-N 2 1 340.512 1.646 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000892480012 591042185 /nfs/dbraw/zinc/04/21/85/591042185.db2.gz XEQDETRICZWSCZ-CALCHBBNSA-N 2 1 346.475 1.330 20 0 EDADMP CC[C@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000891346567 591052631 /nfs/dbraw/zinc/05/26/31/591052631.db2.gz CRAQBOVGNJBTBQ-ZTFGCOKTSA-N 2 1 330.476 1.860 20 0 EDADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891448569 591075551 /nfs/dbraw/zinc/07/55/51/591075551.db2.gz RBGPXBCXXXYICU-KSZLIROESA-N 2 1 328.460 1.797 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)[C@@H]2C1 ZINC000891520036 591104564 /nfs/dbraw/zinc/10/45/64/591104564.db2.gz CKFYKKNPOVICOH-HRCADAONSA-N 2 1 332.448 1.762 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000891542794 591115117 /nfs/dbraw/zinc/11/51/17/591115117.db2.gz LLOTYDKDFAGHEY-KSZLIROESA-N 2 1 328.460 1.464 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000891542794 591115119 /nfs/dbraw/zinc/11/51/19/591115119.db2.gz LLOTYDKDFAGHEY-KSZLIROESA-N 2 1 328.460 1.464 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000891543050 591116336 /nfs/dbraw/zinc/11/63/36/591116336.db2.gz MODSMWWFFWPZSZ-KSZLIROESA-N 2 1 328.460 1.606 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891540180 591116750 /nfs/dbraw/zinc/11/67/50/591116750.db2.gz MEEGQRCWGFNOBZ-JHJVBQTASA-N 2 1 336.402 1.639 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC[C@H]2C)C1 ZINC000891597297 591142198 /nfs/dbraw/zinc/14/21/98/591142198.db2.gz GVLFNPQWHPHKQU-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@@H+]2CCC[C@H]2C)C1 ZINC000891597297 591142204 /nfs/dbraw/zinc/14/22/04/591142204.db2.gz GVLFNPQWHPHKQU-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@H+]2CCC[C@H]2C)C1 ZINC000891597297 591142206 /nfs/dbraw/zinc/14/22/06/591142206.db2.gz GVLFNPQWHPHKQU-CVEARBPZSA-N 2 1 326.485 1.127 20 0 EDADMP CCN(CC(=O)NC)Cc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC000893940141 591144119 /nfs/dbraw/zinc/14/41/19/591144119.db2.gz JGBWABAKPYBCQH-UHFFFAOYSA-N 2 1 343.374 1.638 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[N@H+]1C1CC1 ZINC000891661537 591173363 /nfs/dbraw/zinc/17/33/63/591173363.db2.gz RSLLQBJSFPHFBB-YCPHGPKFSA-N 2 1 336.480 1.070 20 0 EDADMP CN(C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892797615 591181162 /nfs/dbraw/zinc/18/11/62/591181162.db2.gz QENAMQRNIJFMJT-KAKFPZCNSA-N 2 1 342.487 1.968 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)C[C@@H](C)O1 ZINC000891699645 591189931 /nfs/dbraw/zinc/18/99/31/591189931.db2.gz RUIWFMDYTFTANZ-KLHDSHLOSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)C[C@@H](C)O1 ZINC000891699645 591189932 /nfs/dbraw/zinc/18/99/32/591189932.db2.gz RUIWFMDYTFTANZ-KLHDSHLOSA-N 2 1 338.496 1.220 20 0 EDADMP COc1ccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)o1 ZINC000892867029 591208486 /nfs/dbraw/zinc/20/84/86/591208486.db2.gz VGZBYOXCTCYLRZ-UHFFFAOYSA-N 2 1 331.416 1.869 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000891753103 591211429 /nfs/dbraw/zinc/21/14/29/591211429.db2.gz RVGNQVVJMLXNHW-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000891753103 591211432 /nfs/dbraw/zinc/21/14/32/591211432.db2.gz RVGNQVVJMLXNHW-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000891753103 591211436 /nfs/dbraw/zinc/21/14/36/591211436.db2.gz RVGNQVVJMLXNHW-DLBZAZTESA-N 2 1 339.528 1.042 20 0 EDADMP COC(=O)c1sccc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000892938523 591230943 /nfs/dbraw/zinc/23/09/43/591230943.db2.gz PBWIDEBLBZZMOP-UHFFFAOYSA-N 2 1 339.505 1.898 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCOC12CCCC2 ZINC000895666678 591246514 /nfs/dbraw/zinc/24/65/14/591246514.db2.gz QMWVDXNJTSJDLI-HOTGVXAUSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCOC12CCCC2 ZINC000895666678 591246515 /nfs/dbraw/zinc/24/65/15/591246515.db2.gz QMWVDXNJTSJDLI-HOTGVXAUSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897407809 591368124 /nfs/dbraw/zinc/36/81/24/591368124.db2.gz DSDDMYWPYDCOQJ-MNEFBYGVSA-N 2 1 343.471 1.344 20 0 EDADMP Cc1n[nH]c(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1C ZINC000894763579 591413840 /nfs/dbraw/zinc/41/38/40/591413840.db2.gz MWFVRUXZAAJQJP-UHFFFAOYSA-N 2 1 347.507 1.841 20 0 EDADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000897454075 591459431 /nfs/dbraw/zinc/45/94/31/591459431.db2.gz ACTFOLQVVRSLTB-CRAIPNDOSA-N 2 1 348.491 1.939 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC000897454120 591459686 /nfs/dbraw/zinc/45/96/86/591459686.db2.gz BCBMKALOXFDYCI-JKSUJKDBSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000897454120 591459689 /nfs/dbraw/zinc/45/96/89/591459689.db2.gz BCBMKALOXFDYCI-JKSUJKDBSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000897454120 591459692 /nfs/dbraw/zinc/45/96/92/591459692.db2.gz BCBMKALOXFDYCI-JKSUJKDBSA-N 2 1 338.496 1.223 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)C1 ZINC000896480014 591479110 /nfs/dbraw/zinc/47/91/10/591479110.db2.gz UFJMXAZAIKNLBA-BZSNNMDCSA-N 2 1 339.443 1.970 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000897514837 591515044 /nfs/dbraw/zinc/51/50/44/591515044.db2.gz AITRKUDRWPNABK-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH+](C)C2)CC[N@H+]1CC(C)(C)O ZINC000897554123 591550758 /nfs/dbraw/zinc/55/07/58/591550758.db2.gz OJIKSEQKRFECPG-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000897554123 591550759 /nfs/dbraw/zinc/55/07/59/591550759.db2.gz OJIKSEQKRFECPG-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC[NH+]1CC(C)(C)O ZINC000897554123 591550762 /nfs/dbraw/zinc/55/07/62/591550762.db2.gz OJIKSEQKRFECPG-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000909436253 591567073 /nfs/dbraw/zinc/56/70/73/591567073.db2.gz IIJFTVDOJJKHNN-AWEZNQCLSA-N 2 1 330.432 1.429 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000909436253 591567075 /nfs/dbraw/zinc/56/70/75/591567075.db2.gz IIJFTVDOJJKHNN-AWEZNQCLSA-N 2 1 330.432 1.429 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCC3(C[C@@H]1F)OCCO3)CCO2 ZINC000895120157 591600245 /nfs/dbraw/zinc/60/02/45/591600245.db2.gz ABMLZOXQWWEPRE-GJZGRUSLSA-N 2 1 328.428 1.417 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCC3(C[C@@H]1F)OCCO3)CCO2 ZINC000895120157 591600249 /nfs/dbraw/zinc/60/02/49/591600249.db2.gz ABMLZOXQWWEPRE-GJZGRUSLSA-N 2 1 328.428 1.417 20 0 EDADMP CS(=O)(=O)C1CC([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000895346886 591723747 /nfs/dbraw/zinc/72/37/47/591723747.db2.gz MTHSSFUYFSCBKX-UHFFFAOYSA-N 2 1 337.489 1.459 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)C1 ZINC000899221002 591739891 /nfs/dbraw/zinc/73/98/91/591739891.db2.gz GPNKVQOAMQSLBO-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)C1 ZINC000899221002 591739892 /nfs/dbraw/zinc/73/98/92/591739892.db2.gz GPNKVQOAMQSLBO-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP CCO[C@@H](CNc1ncnc2c1cnn2-c1cc[nH+]cc1)C[NH+](C)C ZINC000899261129 591753018 /nfs/dbraw/zinc/75/30/18/591753018.db2.gz AFPUPJSVNPXADW-AWEZNQCLSA-N 2 1 341.419 1.589 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000897264148 591794560 /nfs/dbraw/zinc/79/45/60/591794560.db2.gz VCHAUUJNJUPNHP-ZACQAIPSSA-N 2 1 336.524 1.344 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898141295 591801107 /nfs/dbraw/zinc/80/11/07/591801107.db2.gz YRDUVFDNVDQBTH-SFHVURJKSA-N 2 1 345.487 1.734 20 0 EDADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCCC23CC[NH+](C)CC3)n[nH]1 ZINC000897288091 591816506 /nfs/dbraw/zinc/81/65/06/591816506.db2.gz RXOJSZCUARQJPQ-MRXNPFEDSA-N 2 1 331.464 1.877 20 0 EDADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCCC23CC[NH+](C)CC3)n[nH]1 ZINC000897288091 591816509 /nfs/dbraw/zinc/81/65/09/591816509.db2.gz RXOJSZCUARQJPQ-MRXNPFEDSA-N 2 1 331.464 1.877 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)C[C@]3(O)CCC[N@@H+](C)C3)CC2)c1 ZINC000899972354 591845953 /nfs/dbraw/zinc/84/59/53/591845953.db2.gz JZRBUXRGJCYQIN-HXUWFJFHSA-N 2 1 345.487 1.486 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)C[C@]3(O)CCC[N@H+](C)C3)CC2)c1 ZINC000899972354 591845959 /nfs/dbraw/zinc/84/59/59/591845959.db2.gz JZRBUXRGJCYQIN-HXUWFJFHSA-N 2 1 345.487 1.486 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000900045115 591882041 /nfs/dbraw/zinc/88/20/41/591882041.db2.gz LSODAGVALBLLIE-FQEVSTJZSA-N 2 1 345.487 1.568 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000900045115 591882043 /nfs/dbraw/zinc/88/20/43/591882043.db2.gz LSODAGVALBLLIE-FQEVSTJZSA-N 2 1 345.487 1.568 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000900045115 591882049 /nfs/dbraw/zinc/88/20/49/591882049.db2.gz LSODAGVALBLLIE-FQEVSTJZSA-N 2 1 345.487 1.568 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000900157791 591920157 /nfs/dbraw/zinc/92/01/57/591920157.db2.gz ITRRBDFKRVFDOG-HXUWFJFHSA-N 2 1 345.487 1.745 20 0 EDADMP C[NH+]1CCC2(CCN2C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000899910121 591979677 /nfs/dbraw/zinc/97/96/77/591979677.db2.gz JXNQFVRXSKRDBV-FQEVSTJZSA-N 2 1 329.488 1.794 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+]2C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000899910121 591979679 /nfs/dbraw/zinc/97/96/79/591979679.db2.gz JXNQFVRXSKRDBV-FQEVSTJZSA-N 2 1 329.488 1.794 20 0 EDADMP C[NH+]1CCC2(CC[N@H+]2C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000899910121 591979681 /nfs/dbraw/zinc/97/96/81/591979681.db2.gz JXNQFVRXSKRDBV-FQEVSTJZSA-N 2 1 329.488 1.794 20 0 EDADMP O=C1O[C@H](CNc2nc(N3CCCC3)cc[nH+]2)CC12CC[NH2+]CC2 ZINC000900360295 591994913 /nfs/dbraw/zinc/99/49/13/591994913.db2.gz QIIDXIFTIGHBET-ZDUSSCGKSA-N 2 1 331.420 1.174 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000902455001 591999352 /nfs/dbraw/zinc/99/93/52/591999352.db2.gz JYVFEDUSPOOKFD-RNSXUZJQSA-N 2 1 327.226 1.423 20 0 EDADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000900405076 592009569 /nfs/dbraw/zinc/00/95/69/592009569.db2.gz QRHLGWRQZSYAJP-QWFCFKBJSA-N 2 1 345.487 1.612 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000900405076 592009571 /nfs/dbraw/zinc/00/95/71/592009571.db2.gz QRHLGWRQZSYAJP-QWFCFKBJSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000900405076 592009573 /nfs/dbraw/zinc/00/95/73/592009573.db2.gz QRHLGWRQZSYAJP-QWFCFKBJSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000900405076 592009575 /nfs/dbraw/zinc/00/95/75/592009575.db2.gz QRHLGWRQZSYAJP-QWFCFKBJSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1COc2ccccc2C1 ZINC000902794705 592064757 /nfs/dbraw/zinc/06/47/57/592064757.db2.gz YHVLJCLWQIEUMF-RYQLBKOJSA-N 2 1 345.487 1.803 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000900623213 592074591 /nfs/dbraw/zinc/07/45/91/592074591.db2.gz GPISJOYPMMCVRE-SFHVURJKSA-N 2 1 336.524 1.489 20 0 EDADMP CN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000900656620 592082980 /nfs/dbraw/zinc/08/29/80/592082980.db2.gz MHJZGHSERYSHSD-LJQANCHMSA-N 2 1 349.475 1.437 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)C23CC[NH+](CC2)C3)c2cccs2)CC1 ZINC000900682408 592093064 /nfs/dbraw/zinc/09/30/64/592093064.db2.gz GVNZNPSFWSORKV-HNNXBMFYSA-N 2 1 348.516 1.249 20 0 EDADMP CC[N@H+](CCNC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(C)C ZINC000900701040 592098453 /nfs/dbraw/zinc/09/84/53/592098453.db2.gz UTEUSZCWSHDSBU-UHFFFAOYSA-N 2 1 326.529 1.639 20 0 EDADMP CC[N@@H+](CCNC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(C)C ZINC000900701040 592098455 /nfs/dbraw/zinc/09/84/55/592098455.db2.gz UTEUSZCWSHDSBU-UHFFFAOYSA-N 2 1 326.529 1.639 20 0 EDADMP O=C1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@@H]([C@@H]2CCCO2)N1 ZINC000903173274 592130214 /nfs/dbraw/zinc/13/02/14/592130214.db2.gz XYWTVGRTZINJNX-DQUFNHPKSA-N 2 1 333.476 1.560 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)CC[N@@H+]1C ZINC000903240746 592142801 /nfs/dbraw/zinc/14/28/01/592142801.db2.gz BGPFKCALGJUIAM-MWLCHTKSSA-N 2 1 334.342 1.084 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)CC[N@H+]1C ZINC000903240746 592142802 /nfs/dbraw/zinc/14/28/02/592142802.db2.gz BGPFKCALGJUIAM-MWLCHTKSSA-N 2 1 334.342 1.084 20 0 EDADMP CC[C@H](CN1CCOCC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000903343404 592155965 /nfs/dbraw/zinc/15/59/65/592155965.db2.gz PKKFRLJASPNPCF-SJLPKXTDSA-N 2 1 325.497 1.330 20 0 EDADMP COc1cc2c(c(OC)c1OC)CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000903457541 592171291 /nfs/dbraw/zinc/17/12/91/592171291.db2.gz WMWZJRXLTHDHTE-HIFRSBDPSA-N 2 1 334.460 1.969 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC000903459737 592171683 /nfs/dbraw/zinc/17/16/83/592171683.db2.gz YIINJCSEOOWOKB-ZNMIVQPWSA-N 2 1 336.459 1.143 20 0 EDADMP CS(=O)(=O)c1ccc(OCCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903470258 592175158 /nfs/dbraw/zinc/17/51/58/592175158.db2.gz JBQWRMCZPPVLHQ-MRXNPFEDSA-N 2 1 338.473 1.733 20 0 EDADMP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499813 592179718 /nfs/dbraw/zinc/17/97/18/592179718.db2.gz PLSQMHBCNXRUDO-ZIAGYGMSSA-N 2 1 333.432 1.353 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)CC2)c1 ZINC000903496921 592188149 /nfs/dbraw/zinc/18/81/49/592188149.db2.gz KIWDZIFFELEHHU-QZTJIDSGSA-N 2 1 344.503 1.560 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903496943 592188543 /nfs/dbraw/zinc/18/85/43/592188543.db2.gz KTJUXNNPYVDJKE-YLFCFFPRSA-N 2 1 325.497 1.615 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000901025858 592203011 /nfs/dbraw/zinc/20/30/11/592203011.db2.gz LRGFCNLQLJMOEE-XZKMEQPCSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000901025858 592203013 /nfs/dbraw/zinc/20/30/13/592203013.db2.gz LRGFCNLQLJMOEE-XZKMEQPCSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000901025858 592203015 /nfs/dbraw/zinc/20/30/15/592203015.db2.gz LRGFCNLQLJMOEE-XZKMEQPCSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000901025858 592203016 /nfs/dbraw/zinc/20/30/16/592203016.db2.gz LRGFCNLQLJMOEE-XZKMEQPCSA-N 2 1 331.460 1.221 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)o3)C2)C1 ZINC000904373427 592240825 /nfs/dbraw/zinc/24/08/25/592240825.db2.gz DOOCQLDHDWXNIO-NUJGCVRESA-N 3 1 348.491 1.408 20 0 EDADMP CCN1CCC[C@@H](C[N@H+](C)Cc2ccc(N)nn2)[C@@H]1c1cnn(C)c1 ZINC000904377816 592245414 /nfs/dbraw/zinc/24/54/14/592245414.db2.gz ZEOMHRSRRYGAOD-KBXCAEBGSA-N 2 1 343.479 1.697 20 0 EDADMP CCN1CCC[C@@H](C[N@@H+](C)Cc2ccc(N)nn2)[C@@H]1c1cnn(C)c1 ZINC000904377816 592245416 /nfs/dbraw/zinc/24/54/16/592245416.db2.gz ZEOMHRSRRYGAOD-KBXCAEBGSA-N 2 1 343.479 1.697 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000901103926 592246166 /nfs/dbraw/zinc/24/61/66/592246166.db2.gz ITRGGQSDBLNVFE-MSOLQXFVSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000901103926 592246169 /nfs/dbraw/zinc/24/61/69/592246169.db2.gz ITRGGQSDBLNVFE-MSOLQXFVSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000901103926 592246173 /nfs/dbraw/zinc/24/61/73/592246173.db2.gz ITRGGQSDBLNVFE-MSOLQXFVSA-N 2 1 336.524 1.345 20 0 EDADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)n[nH]1 ZINC000901135688 592253260 /nfs/dbraw/zinc/25/32/60/592253260.db2.gz QHHOZASAKNLGGR-XYPHTWIQSA-N 2 1 331.464 1.733 20 0 EDADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)n[nH]1 ZINC000901135688 592253265 /nfs/dbraw/zinc/25/32/65/592253265.db2.gz QHHOZASAKNLGGR-XYPHTWIQSA-N 2 1 331.464 1.733 20 0 EDADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n[nH]1 ZINC000901135688 592253268 /nfs/dbraw/zinc/25/32/68/592253268.db2.gz QHHOZASAKNLGGR-XYPHTWIQSA-N 2 1 331.464 1.733 20 0 EDADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n[nH]1 ZINC000901135688 592253271 /nfs/dbraw/zinc/25/32/71/592253271.db2.gz QHHOZASAKNLGGR-XYPHTWIQSA-N 2 1 331.464 1.733 20 0 EDADMP CCc1nn(C)c(CC)c1C[NH2+]Cc1ccncc1O[C@H]1CC[NH2+]C1 ZINC000904453132 592264506 /nfs/dbraw/zinc/26/45/06/592264506.db2.gz PMANYFIEQZBXCN-HNNXBMFYSA-N 2 1 343.475 1.970 20 0 EDADMP O=C(c1ccsc1)N1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903722567 592284310 /nfs/dbraw/zinc/28/43/10/592284310.db2.gz MYTBLCDHYQABRK-AEFFLSMTSA-N 2 1 349.500 1.665 20 0 EDADMP Cc1ccccc1CN1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903732965 592289385 /nfs/dbraw/zinc/28/93/85/592289385.db2.gz IMTGYOYYFFMJQC-VQTJNVASSA-N 2 1 329.488 1.881 20 0 EDADMP Cc1noc(C)c1CN1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903736157 592298919 /nfs/dbraw/zinc/29/89/19/592298919.db2.gz HFOLXOPXBDMBEF-QGZVFWFLSA-N 2 1 348.491 1.568 20 0 EDADMP C(C[N@@H+](CC1CC1)C[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCOCC1 ZINC000903765279 592308769 /nfs/dbraw/zinc/30/87/69/592308769.db2.gz GJDIINOQFBJFPY-SFHVURJKSA-N 2 1 337.508 1.189 20 0 EDADMP CCC[C@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000903755415 592313654 /nfs/dbraw/zinc/31/36/54/592313654.db2.gz GTZVNZJGTYXGKY-ZWKOTPCHSA-N 2 1 339.524 1.578 20 0 EDADMP CCC[C@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1CCOC ZINC000903755415 592313657 /nfs/dbraw/zinc/31/36/57/592313657.db2.gz GTZVNZJGTYXGKY-ZWKOTPCHSA-N 2 1 339.524 1.578 20 0 EDADMP CCC[C@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1CCOC ZINC000903755415 592313660 /nfs/dbraw/zinc/31/36/60/592313660.db2.gz GTZVNZJGTYXGKY-ZWKOTPCHSA-N 2 1 339.524 1.578 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000901260278 592315835 /nfs/dbraw/zinc/31/58/35/592315835.db2.gz YNRCQEAWIQXHPQ-QGZVFWFLSA-N 2 1 338.540 1.591 20 0 EDADMP Fc1ccc(N2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c(F)c1 ZINC000903778924 592318861 /nfs/dbraw/zinc/31/88/61/592318861.db2.gz TVJJBUARLGGLCC-QAPCUYQASA-N 2 1 337.414 1.855 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)CCCN2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000901270149 592319770 /nfs/dbraw/zinc/31/97/70/592319770.db2.gz IRWHLYSVYSOSKJ-ZWKOTPCHSA-N 2 1 338.540 1.734 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)CCC[NH+]2CCN(C(C)C)CC2)C[C@@H]1C ZINC000901270149 592319773 /nfs/dbraw/zinc/31/97/73/592319773.db2.gz IRWHLYSVYSOSKJ-ZWKOTPCHSA-N 2 1 338.540 1.734 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)CCC[NH+]2CCN(C(C)C)CC2)C[C@@H]1C ZINC000901270149 592319779 /nfs/dbraw/zinc/31/97/79/592319779.db2.gz IRWHLYSVYSOSKJ-ZWKOTPCHSA-N 2 1 338.540 1.734 20 0 EDADMP C[C@@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1cc[nH+]cc1 ZINC000903783148 592320983 /nfs/dbraw/zinc/32/09/83/592320983.db2.gz VCTUILZERVVMTI-SJLPKXTDSA-N 2 1 330.476 1.751 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000901359331 592347176 /nfs/dbraw/zinc/34/71/76/592347176.db2.gz CUMYGDSGGGTYDG-BOLBYERCSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901359331 592347180 /nfs/dbraw/zinc/34/71/80/592347180.db2.gz CUMYGDSGGGTYDG-BOLBYERCSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901359331 592347185 /nfs/dbraw/zinc/34/71/85/592347185.db2.gz CUMYGDSGGGTYDG-BOLBYERCSA-N 2 1 345.487 1.468 20 0 EDADMP C[N@H+]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000903872721 592354341 /nfs/dbraw/zinc/35/43/41/592354341.db2.gz ARUFJYYHIDROAR-PKOBYXMFSA-N 2 1 340.475 1.691 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H](NC(=O)C(C)(C)C)C2)cnn1C ZINC000903892892 592366456 /nfs/dbraw/zinc/36/64/56/592366456.db2.gz XPWPZMLRKKDCSH-NVXWUHKLSA-N 2 1 349.523 1.473 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H](NC(=O)C(C)(C)C)C2)cnn1C ZINC000903892892 592366460 /nfs/dbraw/zinc/36/64/60/592366460.db2.gz XPWPZMLRKKDCSH-NVXWUHKLSA-N 2 1 349.523 1.473 20 0 EDADMP COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903902498 592371274 /nfs/dbraw/zinc/37/12/74/592371274.db2.gz HUHCMJIPHFZUKD-LSDHHAIUSA-N 2 1 349.479 1.614 20 0 EDADMP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903902498 592371277 /nfs/dbraw/zinc/37/12/77/592371277.db2.gz HUHCMJIPHFZUKD-LSDHHAIUSA-N 2 1 349.479 1.614 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000908202077 592379207 /nfs/dbraw/zinc/37/92/07/592379207.db2.gz IFEWPQOGSGVXLK-MSOLQXFVSA-N 2 1 331.460 1.081 20 0 EDADMP COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903932027 592383742 /nfs/dbraw/zinc/38/37/42/592383742.db2.gz LJAJIEZPYKGGSS-BBRMVZONSA-N 2 1 343.431 1.825 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCCCCNC(=O)CC2)cnn1C ZINC000903935896 592386247 /nfs/dbraw/zinc/38/62/47/592386247.db2.gz VOUUMXKCBMOGGR-MRXNPFEDSA-N 2 1 335.496 1.228 20 0 EDADMP C[N@@H+](CCc1ccc2c(c1)OCO2)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903960125 592391574 /nfs/dbraw/zinc/39/15/74/592391574.db2.gz XVTGKVRCQGZAOP-HNNXBMFYSA-N 2 1 333.432 1.087 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H](C3CCOCC3)C2)C1 ZINC000903947729 592394130 /nfs/dbraw/zinc/39/41/30/592394130.db2.gz GHVFJXOYZIABKA-AEFFLSMTSA-N 2 1 337.508 1.712 20 0 EDADMP c1csc(N2CCC([NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)CC2)n1 ZINC000903974972 592398679 /nfs/dbraw/zinc/39/86/79/592398679.db2.gz XUVZJROYIGXUBC-HNNXBMFYSA-N 2 1 336.505 1.860 20 0 EDADMP COCCCn1nccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980535 592400936 /nfs/dbraw/zinc/40/09/36/592400936.db2.gz UKKGMYQIIJZKEG-KDURUIRLSA-N 2 1 347.507 1.320 20 0 EDADMP C[NH+](C)CCOc1cc(-c2noc(C[C@H]3CC[N@@H+](C)C3)n2)ccn1 ZINC000904024262 592410183 /nfs/dbraw/zinc/41/01/83/592410183.db2.gz ZJBYWMSWHIHPRT-CYBMUJFWSA-N 2 1 331.420 1.566 20 0 EDADMP C[C@@](O)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(F)(F)C(F)(F)F ZINC000905383654 592513846 /nfs/dbraw/zinc/51/38/46/592513846.db2.gz UROBUQQQHWOIFE-VXGBXAGGSA-N 2 1 346.340 1.778 20 0 EDADMP CN(C)c1nccc2cc(NC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)ccc21 ZINC000908535858 592528324 /nfs/dbraw/zinc/52/83/24/592528324.db2.gz ZMQPGXLFWFMZLS-RDTXWAMCSA-N 2 1 328.416 1.694 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000905475887 592537201 /nfs/dbraw/zinc/53/72/01/592537201.db2.gz XIPFYHWBQJXCRU-OALUTQOASA-N 2 1 346.446 1.812 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000905475887 592537203 /nfs/dbraw/zinc/53/72/03/592537203.db2.gz XIPFYHWBQJXCRU-OALUTQOASA-N 2 1 346.446 1.812 20 0 EDADMP C[NH+](C)CCNC(=S)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000905543581 592557160 /nfs/dbraw/zinc/55/71/60/592557160.db2.gz BAWVISNMNJORQD-QGZVFWFLSA-N 2 1 347.532 1.819 20 0 EDADMP CCO[C@H](C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C[NH+](C)C ZINC000905580989 592579927 /nfs/dbraw/zinc/57/99/27/592579927.db2.gz RPRUZXPUXZILTE-OAHLLOKOSA-N 2 1 329.391 1.850 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000905678651 592609583 /nfs/dbraw/zinc/60/95/83/592609583.db2.gz GPKNNXKETGLTMF-SJORKVTESA-N 2 1 325.497 1.581 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000905678651 592609584 /nfs/dbraw/zinc/60/95/84/592609584.db2.gz GPKNNXKETGLTMF-SJORKVTESA-N 2 1 325.497 1.581 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CCC1 ZINC000908936196 592671837 /nfs/dbraw/zinc/67/18/37/592671837.db2.gz KPMKRZCNXWZIDP-PKOBYXMFSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CCC1 ZINC000908936196 592671840 /nfs/dbraw/zinc/67/18/40/592671840.db2.gz KPMKRZCNXWZIDP-PKOBYXMFSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CCC1 ZINC000908936196 592671842 /nfs/dbraw/zinc/67/18/42/592671842.db2.gz KPMKRZCNXWZIDP-PKOBYXMFSA-N 2 1 345.487 1.612 20 0 EDADMP CC[C@@](O)(C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)C(F)(F)F ZINC000905934189 592688234 /nfs/dbraw/zinc/68/82/34/592688234.db2.gz RKQMKGBIIUEFKC-TZMCWYRMSA-N 2 1 326.403 1.714 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000906085238 592738676 /nfs/dbraw/zinc/73/86/76/592738676.db2.gz KBYMARWPCCBUIP-KBAYOESNSA-N 2 1 333.476 1.626 20 0 EDADMP [NH3+]CCc1ccc(CNC(=O)[C@H]2[NH2+]CCOc3ccccc32)cc1 ZINC000911733769 592999128 /nfs/dbraw/zinc/99/91/28/592999128.db2.gz CWMHMGBJEGAJGR-SFHVURJKSA-N 2 1 325.412 1.527 20 0 EDADMP C[NH+]1CCC(N(CCO)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000911940174 593040236 /nfs/dbraw/zinc/04/02/36/593040236.db2.gz ICDNGLSAIAZLDH-MRXNPFEDSA-N 2 1 337.508 1.556 20 0 EDADMP O=C1N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)[C@@H](C2CC2)[C@@]12CCCO2 ZINC000840001050 593328670 /nfs/dbraw/zinc/32/86/70/593328670.db2.gz WLTMSTWRHIHMQZ-ICSRJNTNSA-N 2 1 347.503 1.922 20 0 EDADMP C[N@@H+]1CCN(CC[NH2+]Cc2ncc(C3OCCO3)s2)CC1(C)C ZINC000809660066 593352981 /nfs/dbraw/zinc/35/29/81/593352981.db2.gz ARWOTZUMZBJDPW-UHFFFAOYSA-N 2 1 340.493 1.304 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2ncc(C3OCCO3)s2)CC1(C)C ZINC000809660066 593352982 /nfs/dbraw/zinc/35/29/82/593352982.db2.gz ARWOTZUMZBJDPW-UHFFFAOYSA-N 2 1 340.493 1.304 20 0 EDADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000813323083 593525982 /nfs/dbraw/zinc/52/59/82/593525982.db2.gz LCTPKHAOEOJTTJ-ZDUSSCGKSA-N 2 1 344.459 1.987 20 0 EDADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000816681608 593540374 /nfs/dbraw/zinc/54/03/74/593540374.db2.gz BRZWTTZYAMAKRU-OAHLLOKOSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000817276972 593587710 /nfs/dbraw/zinc/58/77/10/593587710.db2.gz VTCGZTGLKXGOBT-OWCLPIDISA-N 2 1 326.481 1.885 20 0 EDADMP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000817276972 593587711 /nfs/dbraw/zinc/58/77/11/593587711.db2.gz VTCGZTGLKXGOBT-OWCLPIDISA-N 2 1 326.481 1.885 20 0 EDADMP COC(=O)N1CCC(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000819308023 593749769 /nfs/dbraw/zinc/74/97/69/593749769.db2.gz LWGMGZYDXPNAAX-GOSISDBHSA-N 2 1 349.475 1.547 20 0 EDADMP COC(=O)N1CCC(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000819308023 593749770 /nfs/dbraw/zinc/74/97/70/593749770.db2.gz LWGMGZYDXPNAAX-GOSISDBHSA-N 2 1 349.475 1.547 20 0 EDADMP C[NH+](C)CC1CC[NH+](c2ccc(NCCC(=O)NC(N)=O)cc2)CC1 ZINC000819444336 593754679 /nfs/dbraw/zinc/75/46/79/593754679.db2.gz ISHNUHBHPRDROJ-UHFFFAOYSA-N 2 1 347.463 1.462 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000823713187 593840365 /nfs/dbraw/zinc/84/03/65/593840365.db2.gz DTZJMDHDNAREHL-HNNXBMFYSA-N 2 1 348.426 1.332 20 0 EDADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821599403 593875689 /nfs/dbraw/zinc/87/56/89/593875689.db2.gz RXGYRCYDQVUIIE-IAGOWNOFSA-N 2 1 344.463 1.706 20 0 EDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821599403 593875690 /nfs/dbraw/zinc/87/56/90/593875690.db2.gz RXGYRCYDQVUIIE-IAGOWNOFSA-N 2 1 344.463 1.706 20 0 EDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821599403 593875691 /nfs/dbraw/zinc/87/56/91/593875691.db2.gz RXGYRCYDQVUIIE-IAGOWNOFSA-N 2 1 344.463 1.706 20 0 EDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821599403 593875692 /nfs/dbraw/zinc/87/56/92/593875692.db2.gz RXGYRCYDQVUIIE-IAGOWNOFSA-N 2 1 344.463 1.706 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@H]21 ZINC000821625850 593887150 /nfs/dbraw/zinc/88/71/50/593887150.db2.gz WVURJYADIJNFMQ-XJKSGUPXSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@H]21 ZINC000821625850 593887151 /nfs/dbraw/zinc/88/71/51/593887151.db2.gz WVURJYADIJNFMQ-XJKSGUPXSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@H]21 ZINC000821625850 593887152 /nfs/dbraw/zinc/88/71/52/593887152.db2.gz WVURJYADIJNFMQ-XJKSGUPXSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@H]21 ZINC000821625850 593887153 /nfs/dbraw/zinc/88/71/53/593887153.db2.gz WVURJYADIJNFMQ-XJKSGUPXSA-N 2 1 330.411 1.922 20 0 EDADMP CCC[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821110330 593967858 /nfs/dbraw/zinc/96/78/58/593967858.db2.gz ZWUCNXVNDZQCEY-KRWDZBQOSA-N 2 1 344.463 1.706 20 0 EDADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821110330 593967859 /nfs/dbraw/zinc/96/78/59/593967859.db2.gz ZWUCNXVNDZQCEY-KRWDZBQOSA-N 2 1 344.463 1.706 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821159270 593978415 /nfs/dbraw/zinc/97/84/15/593978415.db2.gz ABPUPEDGPIFDHU-CZUORRHYSA-N 2 1 330.436 1.174 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821159270 593978416 /nfs/dbraw/zinc/97/84/16/593978416.db2.gz ABPUPEDGPIFDHU-CZUORRHYSA-N 2 1 330.436 1.174 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821159270 593978418 /nfs/dbraw/zinc/97/84/18/593978418.db2.gz ABPUPEDGPIFDHU-CZUORRHYSA-N 2 1 330.436 1.174 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821159270 593978420 /nfs/dbraw/zinc/97/84/20/593978420.db2.gz ABPUPEDGPIFDHU-CZUORRHYSA-N 2 1 330.436 1.174 20 0 EDADMP C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000822951263 594127323 /nfs/dbraw/zinc/12/73/23/594127323.db2.gz ONRMJOKYTLMUOM-HIFRSBDPSA-N 2 1 342.447 1.739 20 0 EDADMP C[N@H+]1CC[C@]2(CC[NH+](CCCON3C(=O)c4ccccc4C3=O)C2)C1 ZINC000830009037 594313907 /nfs/dbraw/zinc/31/39/07/594313907.db2.gz ODQVUQGFJREXHX-IBGZPJMESA-N 2 1 343.427 1.632 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@H+](CCCON3C(=O)c4ccccc4C3=O)C2)C1 ZINC000830009037 594313912 /nfs/dbraw/zinc/31/39/12/594313912.db2.gz ODQVUQGFJREXHX-IBGZPJMESA-N 2 1 343.427 1.632 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCON3C(=O)c4ccccc4C3=O)C2)C1 ZINC000830009037 594313913 /nfs/dbraw/zinc/31/39/13/594313913.db2.gz ODQVUQGFJREXHX-IBGZPJMESA-N 2 1 343.427 1.632 20 0 EDADMP Cc1cccc(CN2CCO[C@@H](CNC(=O)CCc3cnc[nH]3)C2)c1 ZINC000826555464 594524287 /nfs/dbraw/zinc/52/42/87/594524287.db2.gz BUBSIIMTXRIHSG-SFHVURJKSA-N 2 1 342.443 1.668 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCCCCC[NH3+] ZINC000831266754 594595271 /nfs/dbraw/zinc/59/52/71/594595271.db2.gz CDOOPSKASIVPIB-UHFFFAOYSA-N 2 1 328.501 1.505 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3Cc3ccccn3)CC[C@@H]21 ZINC000827309709 594660035 /nfs/dbraw/zinc/66/00/35/594660035.db2.gz HXTCHUQJGYHQRE-BPQIPLTHSA-N 2 1 328.460 1.599 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3Cc3ccccn3)CC[C@@H]21 ZINC000827309709 594660036 /nfs/dbraw/zinc/66/00/36/594660036.db2.gz HXTCHUQJGYHQRE-BPQIPLTHSA-N 2 1 328.460 1.599 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)CC[C@@H]21 ZINC000827309709 594660037 /nfs/dbraw/zinc/66/00/37/594660037.db2.gz HXTCHUQJGYHQRE-BPQIPLTHSA-N 2 1 328.460 1.599 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)CC[C@@H]21 ZINC000827309709 594660038 /nfs/dbraw/zinc/66/00/38/594660038.db2.gz HXTCHUQJGYHQRE-BPQIPLTHSA-N 2 1 328.460 1.599 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000841899080 594977352 /nfs/dbraw/zinc/97/73/52/594977352.db2.gz SDMPPCODOHULDW-LPHOPBHVSA-N 2 1 330.476 1.902 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cn2)C1)[C@H]1CCC[NH2+]1 ZINC000843362759 595087920 /nfs/dbraw/zinc/08/79/20/595087920.db2.gz PWBNFFQVXVUDMI-XJKSGUPXSA-N 2 1 336.867 1.815 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cn2)C1)[C@H]1CCC[NH2+]1 ZINC000843362759 595087922 /nfs/dbraw/zinc/08/79/22/595087922.db2.gz PWBNFFQVXVUDMI-XJKSGUPXSA-N 2 1 336.867 1.815 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000843388626 595097347 /nfs/dbraw/zinc/09/73/47/595097347.db2.gz UTIFBHMSUPXKMM-KGLIPLIRSA-N 2 1 341.477 1.351 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000842509630 595123185 /nfs/dbraw/zinc/12/31/85/595123185.db2.gz LHXHNZFBSHTLDL-MRXNPFEDSA-N 2 1 336.484 1.412 20 0 EDADMP CC(C)[NH+]1CC(NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000837545234 595135651 /nfs/dbraw/zinc/13/56/51/595135651.db2.gz JJVSEJKMWSKPRD-YFHOEESVSA-N 2 1 331.460 1.849 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCCCCCC[NH3+])c2C1 ZINC000843050447 595274718 /nfs/dbraw/zinc/27/47/18/595274718.db2.gz IFTPCVJLMAHLHS-UHFFFAOYSA-N 2 1 346.475 1.986 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCCCCCC[NH3+])c2C1 ZINC000843050447 595274722 /nfs/dbraw/zinc/27/47/22/595274722.db2.gz IFTPCVJLMAHLHS-UHFFFAOYSA-N 2 1 346.475 1.986 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844185633 595295900 /nfs/dbraw/zinc/29/59/00/595295900.db2.gz QWMFHEQLFNCOCK-AEFFLSMTSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844185633 595295902 /nfs/dbraw/zinc/29/59/02/595295902.db2.gz QWMFHEQLFNCOCK-AEFFLSMTSA-N 2 1 331.460 1.488 20 0 EDADMP NC(=O)[C@H]1CCCC[N@H+]1CCCCCC[NH+]1CCCC[C@H]1C(N)=O ZINC000105570120 595366164 /nfs/dbraw/zinc/36/61/64/595366164.db2.gz ONEZGELQWUZWNI-IYBDPMFKSA-N 2 1 338.496 1.226 20 0 EDADMP NC(=O)[C@H]1CCCC[NH+]1CCCCCC[N@@H+]1CCCC[C@H]1C(N)=O ZINC000105570120 595366167 /nfs/dbraw/zinc/36/61/67/595366167.db2.gz ONEZGELQWUZWNI-IYBDPMFKSA-N 2 1 338.496 1.226 20 0 EDADMP NC(=O)[C@H]1CCCC[NH+]1CCCCCC[N@H+]1CCCC[C@H]1C(N)=O ZINC000105570120 595366170 /nfs/dbraw/zinc/36/61/70/595366170.db2.gz ONEZGELQWUZWNI-IYBDPMFKSA-N 2 1 338.496 1.226 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000844901553 595410540 /nfs/dbraw/zinc/41/05/40/595410540.db2.gz GPKCKYVMQXIXLU-JZXOWHBKSA-N 2 1 347.459 1.269 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)COc1cccc(F)c1 ZINC000849059806 595476659 /nfs/dbraw/zinc/47/66/59/595476659.db2.gz OQFNRUASVIORNX-LSDHHAIUSA-N 2 1 338.427 1.164 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1OC ZINC000849068532 595477531 /nfs/dbraw/zinc/47/75/31/595477531.db2.gz NWFJUDRYZYHYSL-OAHLLOKOSA-N 2 1 334.464 1.845 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)cn1 ZINC000849500246 595551516 /nfs/dbraw/zinc/55/15/16/595551516.db2.gz OXIVCWNXCJHPRN-MLHJIOFPSA-N 2 1 345.491 1.198 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000849500246 595551519 /nfs/dbraw/zinc/55/15/19/595551519.db2.gz OXIVCWNXCJHPRN-MLHJIOFPSA-N 2 1 345.491 1.198 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000849500246 595551521 /nfs/dbraw/zinc/55/15/21/595551521.db2.gz OXIVCWNXCJHPRN-MLHJIOFPSA-N 2 1 345.491 1.198 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849541576 595560680 /nfs/dbraw/zinc/56/06/80/595560680.db2.gz PFQAHBOPPCVEIJ-OIISXLGYSA-N 2 1 335.496 1.302 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC2(C)CC[NH+](C)CC2)cn1 ZINC000849572601 595574877 /nfs/dbraw/zinc/57/48/77/595574877.db2.gz CFKOLTQIOKDGDR-SJORKVTESA-N 2 1 347.507 1.304 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CC(C[NH+](C)C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849596635 595587083 /nfs/dbraw/zinc/58/70/83/595587083.db2.gz AWOZNVIGSNLRPD-ROUUACIJSA-N 2 1 347.507 1.254 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852871954 595591350 /nfs/dbraw/zinc/59/13/50/595591350.db2.gz FZAFAXQOMWJTCN-IRXDYDNUSA-N 2 1 344.459 1.461 20 0 EDADMP NC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853093816 595663511 /nfs/dbraw/zinc/66/35/11/595663511.db2.gz RVMCSNWYQWFXOP-QGZVFWFLSA-N 2 1 331.460 1.762 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC000857963925 595670007 /nfs/dbraw/zinc/67/00/07/595670007.db2.gz QFHVKZDEDAVFRB-GJZGRUSLSA-N 2 1 335.496 1.467 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC000857963925 595670009 /nfs/dbraw/zinc/67/00/09/595670009.db2.gz QFHVKZDEDAVFRB-GJZGRUSLSA-N 2 1 335.496 1.467 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Cn2cccn2)o1 ZINC000855346032 595680299 /nfs/dbraw/zinc/68/02/99/595680299.db2.gz MAYBRIKHLZORFM-HNNXBMFYSA-N 2 1 347.463 1.526 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Cn2cccn2)o1 ZINC000855346032 595680300 /nfs/dbraw/zinc/68/03/00/595680300.db2.gz MAYBRIKHLZORFM-HNNXBMFYSA-N 2 1 347.463 1.526 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C2OCCO2)cc1 ZINC000855346292 595680479 /nfs/dbraw/zinc/68/04/79/595680479.db2.gz VMFOBSCVQZWCBH-HNNXBMFYSA-N 2 1 349.475 1.734 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C2OCCO2)cc1 ZINC000855346292 595680480 /nfs/dbraw/zinc/68/04/80/595680480.db2.gz VMFOBSCVQZWCBH-HNNXBMFYSA-N 2 1 349.475 1.734 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+](CCC1CC1)CC1CC1)C2=O ZINC000853604502 595826753 /nfs/dbraw/zinc/82/67/53/595826753.db2.gz FXETVWJXTFSMNH-UHFFFAOYSA-N 2 1 334.464 1.472 20 0 EDADMP CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000861354043 595959397 /nfs/dbraw/zinc/95/93/97/595959397.db2.gz SAKUDRHQAJVNOY-XKQJLSEDSA-N 2 1 330.444 1.851 20 0 EDADMP CO[C@@H]1C[NH+](C)[C@@](C)(COC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000861354043 595959398 /nfs/dbraw/zinc/95/93/98/595959398.db2.gz SAKUDRHQAJVNOY-XKQJLSEDSA-N 2 1 330.444 1.851 20 0 EDADMP CO[C@@H]1C[NH+](C)[C@@](C)(COC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000861354043 595959399 /nfs/dbraw/zinc/95/93/99/595959399.db2.gz SAKUDRHQAJVNOY-XKQJLSEDSA-N 2 1 330.444 1.851 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](COC)OC)C2)ccn1 ZINC000856583561 596021034 /nfs/dbraw/zinc/02/10/34/596021034.db2.gz JYZFWUFWYYNXIS-ZWKOTPCHSA-N 2 1 337.464 1.648 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H](COC)OC)C2)ccn1 ZINC000856583561 596021038 /nfs/dbraw/zinc/02/10/38/596021038.db2.gz JYZFWUFWYYNXIS-ZWKOTPCHSA-N 2 1 337.464 1.648 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H](COC)OC)C2)ccn1 ZINC000856583561 596021040 /nfs/dbraw/zinc/02/10/40/596021040.db2.gz JYZFWUFWYYNXIS-ZWKOTPCHSA-N 2 1 337.464 1.648 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@](C)(O)C(C)=O)C2)ccn1 ZINC000856584553 596023081 /nfs/dbraw/zinc/02/30/81/596023081.db2.gz MJFHFUCLJVXESQ-QZTJIDSGSA-N 2 1 335.448 1.326 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@](C)(O)C(C)=O)C2)ccn1 ZINC000856584553 596023083 /nfs/dbraw/zinc/02/30/83/596023083.db2.gz MJFHFUCLJVXESQ-QZTJIDSGSA-N 2 1 335.448 1.326 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@](C)(O)C(C)=O)C2)ccn1 ZINC000856584553 596023085 /nfs/dbraw/zinc/02/30/85/596023085.db2.gz MJFHFUCLJVXESQ-QZTJIDSGSA-N 2 1 335.448 1.326 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCN3CCCC3=O)C2)ccn1 ZINC000856591593 596025044 /nfs/dbraw/zinc/02/50/44/596025044.db2.gz OHGKXVFYVYIPGM-SFHVURJKSA-N 2 1 346.475 1.609 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCN3CCCC3=O)C2)ccn1 ZINC000856591593 596025046 /nfs/dbraw/zinc/02/50/46/596025046.db2.gz OHGKXVFYVYIPGM-SFHVURJKSA-N 2 1 346.475 1.609 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)ccn1 ZINC000856591593 596025050 /nfs/dbraw/zinc/02/50/50/596025050.db2.gz OHGKXVFYVYIPGM-SFHVURJKSA-N 2 1 346.475 1.609 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861554426 596028534 /nfs/dbraw/zinc/02/85/34/596028534.db2.gz QPBDFAYEOJXBSX-MRXNPFEDSA-N 2 1 347.507 1.313 20 0 EDADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2 ZINC000852108303 596046445 /nfs/dbraw/zinc/04/64/45/596046445.db2.gz ZXBXWBSXMUPLNQ-MSOLQXFVSA-N 2 1 341.496 1.680 20 0 EDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2 ZINC000852108303 596046448 /nfs/dbraw/zinc/04/64/48/596046448.db2.gz ZXBXWBSXMUPLNQ-MSOLQXFVSA-N 2 1 341.496 1.680 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2 ZINC000852108303 596046451 /nfs/dbraw/zinc/04/64/51/596046451.db2.gz ZXBXWBSXMUPLNQ-MSOLQXFVSA-N 2 1 341.496 1.680 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2 ZINC000852108303 596046456 /nfs/dbraw/zinc/04/64/56/596046456.db2.gz ZXBXWBSXMUPLNQ-MSOLQXFVSA-N 2 1 341.496 1.680 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857163521 596173071 /nfs/dbraw/zinc/17/30/71/596173071.db2.gz ZVQFABVSDCDVDY-HKUYNNGSSA-N 2 1 333.476 1.538 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC1 ZINC000859927928 596227942 /nfs/dbraw/zinc/22/79/42/596227942.db2.gz CQWGFOZWPDCMNP-GBESFXJTSA-N 2 1 327.472 1.886 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC1 ZINC000859927928 596227943 /nfs/dbraw/zinc/22/79/43/596227943.db2.gz CQWGFOZWPDCMNP-GBESFXJTSA-N 2 1 327.472 1.886 20 0 EDADMP Clc1ccc(CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cn1 ZINC000852746535 596237670 /nfs/dbraw/zinc/23/76/70/596237670.db2.gz NNLZDUDLOZCOMR-HNNXBMFYSA-N 2 1 336.867 1.374 20 0 EDADMP CC[N@@H+](CC(=O)N1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1)C1CC1 ZINC000870535373 596274488 /nfs/dbraw/zinc/27/44/88/596274488.db2.gz CWYJBHACUJLSDA-IAGOWNOFSA-N 2 1 344.459 1.502 20 0 EDADMP CCN(CC(=O)N1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1)C1CC1 ZINC000870535373 596274489 /nfs/dbraw/zinc/27/44/89/596274489.db2.gz CWYJBHACUJLSDA-IAGOWNOFSA-N 2 1 344.459 1.502 20 0 EDADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC([NH+]2CCOCC2)CC1 ZINC000862217252 596278056 /nfs/dbraw/zinc/27/80/56/596278056.db2.gz WTAIWRGYXKBBMI-QGZVFWFLSA-N 2 1 349.519 1.964 20 0 EDADMP NC(=O)c1ccc(CC[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000866668902 596285954 /nfs/dbraw/zinc/28/59/54/596285954.db2.gz LCPQBOGLQDBSLG-KZNAEPCWSA-N 2 1 331.460 1.689 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000866714492 596306923 /nfs/dbraw/zinc/30/69/23/596306923.db2.gz PXFJLDPOVZKAJF-YESZJQIVSA-N 2 1 338.411 1.602 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](C)C1 ZINC000870887515 596391398 /nfs/dbraw/zinc/39/13/98/596391398.db2.gz CPYPRJYPNFSYMD-QAETUUGQSA-N 2 1 325.497 1.757 20 0 EDADMP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000865817916 596696314 /nfs/dbraw/zinc/69/63/14/596696314.db2.gz IYWPRKDJHDLSTE-CVEARBPZSA-N 2 1 337.489 1.354 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC[NH+]3CCc4sccc4C3)CC[C@H]21 ZINC000868130040 596696768 /nfs/dbraw/zinc/69/67/68/596696768.db2.gz GWJZGQPMARAOQP-GDBMZVCRSA-N 2 1 348.516 1.842 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC[NH+]3CCc4sccc4C3)CC[C@H]21 ZINC000868130040 596696769 /nfs/dbraw/zinc/69/67/69/596696769.db2.gz GWJZGQPMARAOQP-GDBMZVCRSA-N 2 1 348.516 1.842 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)CC[C@H]21 ZINC000868130040 596696772 /nfs/dbraw/zinc/69/67/72/596696772.db2.gz GWJZGQPMARAOQP-GDBMZVCRSA-N 2 1 348.516 1.842 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)CC[C@H]21 ZINC000868130040 596696774 /nfs/dbraw/zinc/69/67/74/596696774.db2.gz GWJZGQPMARAOQP-GDBMZVCRSA-N 2 1 348.516 1.842 20 0 EDADMP Cc1ccc(CNC(=O)CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000871785185 596699669 /nfs/dbraw/zinc/69/96/69/596699669.db2.gz NFVZCACSOLOPGF-ALOPSCKCSA-N 2 1 344.459 1.982 20 0 EDADMP Cc1ccc(CNC(=O)CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000871785185 596699673 /nfs/dbraw/zinc/69/96/73/596699673.db2.gz NFVZCACSOLOPGF-ALOPSCKCSA-N 2 1 344.459 1.982 20 0 EDADMP CC(C)[NH+]1CCC(CCNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000868235752 596739648 /nfs/dbraw/zinc/73/96/48/596739648.db2.gz GNYFKWWXMXMANC-KRWDZBQOSA-N 2 1 339.528 1.042 20 0 EDADMP O=C([C@H](O)c1cnc[nH]1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000868281797 596762247 /nfs/dbraw/zinc/76/22/47/596762247.db2.gz PGURUGMCABXWFY-IEBWSBKVSA-N 2 1 340.427 1.568 20 0 EDADMP O=C([C@H](O)c1c[nH]cn1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000868281797 596762250 /nfs/dbraw/zinc/76/22/50/596762250.db2.gz PGURUGMCABXWFY-IEBWSBKVSA-N 2 1 340.427 1.568 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CCSC1 ZINC000868356332 596798910 /nfs/dbraw/zinc/79/89/10/596798910.db2.gz VBEUQKVMGWTQAO-SJLPKXTDSA-N 2 1 348.516 1.910 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CCSC1 ZINC000868356332 596798912 /nfs/dbraw/zinc/79/89/12/596798912.db2.gz VBEUQKVMGWTQAO-SJLPKXTDSA-N 2 1 348.516 1.910 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868372492 596809486 /nfs/dbraw/zinc/80/94/86/596809486.db2.gz WLHXDVJPJGWGRM-HJOIGYKYSA-N 2 1 339.528 1.184 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000872255309 596856591 /nfs/dbraw/zinc/85/65/91/596856591.db2.gz BBYLVLHSUDVGSH-FGTMMUONSA-N 2 1 327.428 1.931 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000872256984 596857540 /nfs/dbraw/zinc/85/75/40/596857540.db2.gz HAZHAADJVNRAGY-RWMBFGLXSA-N 2 1 334.445 1.387 20 0 EDADMP CCOC(=O)[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C(C)C ZINC000874155550 596943703 /nfs/dbraw/zinc/94/37/03/596943703.db2.gz ZTCIPEHAFQSKAU-INIZCTEOSA-N 2 1 348.447 1.607 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1)C1CC1 ZINC000124921540 597004942 /nfs/dbraw/zinc/00/49/42/597004942.db2.gz FTAPSKHBQLOSBQ-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+](CCNC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1)C1CC1 ZINC000124921540 597004945 /nfs/dbraw/zinc/00/49/45/597004945.db2.gz FTAPSKHBQLOSBQ-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+](CCNC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1)C1CC1 ZINC000124921540 597004949 /nfs/dbraw/zinc/00/49/49/597004949.db2.gz FTAPSKHBQLOSBQ-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000873247682 597239317 /nfs/dbraw/zinc/23/93/17/597239317.db2.gz RUPXDUXGLPHPHI-DOTOQJQBSA-N 3 1 326.448 1.442 20 0 EDADMP [NH3+]Cc1cn(-c2cccc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000873247682 597239319 /nfs/dbraw/zinc/23/93/19/597239319.db2.gz RUPXDUXGLPHPHI-DOTOQJQBSA-N 2 1 326.448 1.442 20 0 EDADMP [NH3+]Cc1cn(-c2cccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000873247682 597239321 /nfs/dbraw/zinc/23/93/21/597239321.db2.gz RUPXDUXGLPHPHI-DOTOQJQBSA-N 2 1 326.448 1.442 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)CC[C@H]21 ZINC000875005046 597240530 /nfs/dbraw/zinc/24/05/30/597240530.db2.gz IQXWIGPJWBBLKB-GUDVDZBRSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC000875005046 597240533 /nfs/dbraw/zinc/24/05/33/597240533.db2.gz IQXWIGPJWBBLKB-GUDVDZBRSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC000875005046 597240536 /nfs/dbraw/zinc/24/05/36/597240536.db2.gz IQXWIGPJWBBLKB-GUDVDZBRSA-N 2 1 342.487 1.997 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)c1 ZINC000876728107 597308911 /nfs/dbraw/zinc/30/89/11/597308911.db2.gz FVOGFWTURLDQIN-VNQPRFMTSA-N 2 1 348.422 1.022 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)c1 ZINC000876728107 597308915 /nfs/dbraw/zinc/30/89/15/597308915.db2.gz FVOGFWTURLDQIN-VNQPRFMTSA-N 2 1 348.422 1.022 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000876729396 597309750 /nfs/dbraw/zinc/30/97/50/597309750.db2.gz LSIXFONIBAZFGY-CZUORRHYSA-N 2 1 344.463 1.687 20 0 EDADMP COCC[C@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000876730072 597310365 /nfs/dbraw/zinc/31/03/65/597310365.db2.gz BKCKRWAFTLNWTG-HUUCEWRRSA-N 2 1 329.485 1.800 20 0 EDADMP COCC[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000876730072 597310369 /nfs/dbraw/zinc/31/03/69/597310369.db2.gz BKCKRWAFTLNWTG-HUUCEWRRSA-N 2 1 329.485 1.800 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC000875211211 597333571 /nfs/dbraw/zinc/33/35/71/597333571.db2.gz OWLAOXGDOIGOOM-IAGOWNOFSA-N 3 1 341.544 1.098 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876839174 597354755 /nfs/dbraw/zinc/35/47/55/597354755.db2.gz SBMAVUAXVXTXPO-SCRDCRAPSA-N 2 1 325.359 1.008 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000876899942 597377360 /nfs/dbraw/zinc/37/73/60/597377360.db2.gz BKBLDYQGADBNMV-GVDBMIGSSA-N 2 1 345.491 1.672 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)C(C)(C)C[NH+](C)C ZINC000875359883 597398482 /nfs/dbraw/zinc/39/84/82/597398482.db2.gz CLTGFGULBIGQDW-KBPBESRZSA-N 2 1 328.501 1.107 20 0 EDADMP COCCC1(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000877267819 597483762 /nfs/dbraw/zinc/48/37/62/597483762.db2.gz GIXHLCVOAVSKPX-MRXNPFEDSA-N 2 1 345.487 1.708 20 0 EDADMP COCCC1(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000877267819 597483763 /nfs/dbraw/zinc/48/37/63/597483763.db2.gz GIXHLCVOAVSKPX-MRXNPFEDSA-N 2 1 345.487 1.708 20 0 EDADMP COCCC1(NC(=O)C[N@@H+](C)CCc2ccccc2)CC[NH2+]CC1 ZINC000877268328 597484075 /nfs/dbraw/zinc/48/40/75/597484075.db2.gz AEPXJADJQSJAJJ-UHFFFAOYSA-N 2 1 333.476 1.436 20 0 EDADMP CC[C@H]1COCC[N@@H+]1CCNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000877433994 597514901 /nfs/dbraw/zinc/51/49/01/597514901.db2.gz LPCQXLLXOHHVQB-KRWDZBQOSA-N 2 1 331.460 1.102 20 0 EDADMP CC[C@H]1COCC[N@H+]1CCNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000877433994 597514903 /nfs/dbraw/zinc/51/49/03/597514903.db2.gz LPCQXLLXOHHVQB-KRWDZBQOSA-N 2 1 331.460 1.102 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878196859 597586214 /nfs/dbraw/zinc/58/62/14/597586214.db2.gz BEDFETCHCFUSRJ-JKSUJKDBSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878435811 597601791 /nfs/dbraw/zinc/60/17/91/597601791.db2.gz SMBRSVZITAIBAF-HNNXBMFYSA-N 2 1 339.480 1.251 20 0 EDADMP CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878435811 597601792 /nfs/dbraw/zinc/60/17/92/597601792.db2.gz SMBRSVZITAIBAF-HNNXBMFYSA-N 2 1 339.480 1.251 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC000878547010 597630293 /nfs/dbraw/zinc/63/02/93/597630293.db2.gz SXPLBSSQIDFVIG-IBGZPJMESA-N 2 1 333.451 2.000 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3cccc4[nH]ccc43)CC[C@H]21 ZINC000879576778 597640013 /nfs/dbraw/zinc/64/00/13/597640013.db2.gz UCMJTIWLEBONCR-RVKKMQEKSA-N 2 1 329.444 1.934 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3cccc4[nH]ccc43)CC[C@H]21 ZINC000879576778 597640015 /nfs/dbraw/zinc/64/00/15/597640015.db2.gz UCMJTIWLEBONCR-RVKKMQEKSA-N 2 1 329.444 1.934 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)COc3cccc4[nH]ccc43)CC[C@H]21 ZINC000879576778 597640016 /nfs/dbraw/zinc/64/00/16/597640016.db2.gz UCMJTIWLEBONCR-RVKKMQEKSA-N 2 1 329.444 1.934 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)COc3cccc4[nH]ccc43)CC[C@H]21 ZINC000879576778 597640017 /nfs/dbraw/zinc/64/00/17/597640017.db2.gz UCMJTIWLEBONCR-RVKKMQEKSA-N 2 1 329.444 1.934 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580430 597641971 /nfs/dbraw/zinc/64/19/71/597641971.db2.gz HKJRERGXASDMOS-RDJZCZTQSA-N 2 1 326.444 1.571 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580430 597641974 /nfs/dbraw/zinc/64/19/74/597641974.db2.gz HKJRERGXASDMOS-RDJZCZTQSA-N 2 1 326.444 1.571 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580430 597641976 /nfs/dbraw/zinc/64/19/76/597641976.db2.gz HKJRERGXASDMOS-RDJZCZTQSA-N 2 1 326.444 1.571 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580430 597641978 /nfs/dbraw/zinc/64/19/78/597641978.db2.gz HKJRERGXASDMOS-RDJZCZTQSA-N 2 1 326.444 1.571 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)C1 ZINC000881627131 597663661 /nfs/dbraw/zinc/66/36/61/597663661.db2.gz XNGCZWITYBSWEO-KRWDZBQOSA-N 2 1 337.508 1.964 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)C1 ZINC000881627131 597663663 /nfs/dbraw/zinc/66/36/63/597663663.db2.gz XNGCZWITYBSWEO-KRWDZBQOSA-N 2 1 337.508 1.964 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883155887 597671072 /nfs/dbraw/zinc/67/10/72/597671072.db2.gz WTSCLMNCJZZHOX-KRWDZBQOSA-N 2 1 349.479 1.524 20 0 EDADMP CC(C)C[N@H+](CC(=O)NC(=O)NC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000879702338 597694741 /nfs/dbraw/zinc/69/47/41/597694741.db2.gz KXQAKOXGBPMCJT-UHFFFAOYSA-N 2 1 340.512 1.911 20 0 EDADMP CC(C)C[N@@H+](CCCS(=O)(=O)N(C)C)CC1CC[NH+](C)CC1 ZINC000879702730 597694817 /nfs/dbraw/zinc/69/48/17/597694817.db2.gz WUPIEJGORHEJHR-UHFFFAOYSA-N 2 1 333.542 1.568 20 0 EDADMP CC[C@H](CO)[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1 ZINC000879741383 597708590 /nfs/dbraw/zinc/70/85/90/597708590.db2.gz QHASTAABTBGKEW-LJQANCHMSA-N 2 1 347.503 1.860 20 0 EDADMP CC1(C)C[C@@H](C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C(C)(C)O1 ZINC000883415955 597739329 /nfs/dbraw/zinc/73/93/29/597739329.db2.gz IPXUTBLGVNVNQE-CVEARBPZSA-N 2 1 337.508 1.724 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CCOCC4)CO3)C2)nn1 ZINC000883431913 597743990 /nfs/dbraw/zinc/74/39/90/597743990.db2.gz GKMQXJXARFUJCE-SJORKVTESA-N 2 1 349.479 1.350 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000879978064 597794263 /nfs/dbraw/zinc/79/42/63/597794263.db2.gz SHWFZXHCNBNBRS-FGTMMUONSA-N 2 1 348.491 1.713 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000879978064 597794268 /nfs/dbraw/zinc/79/42/68/597794268.db2.gz SHWFZXHCNBNBRS-FGTMMUONSA-N 2 1 348.491 1.713 20 0 EDADMP COCC[N@H+](CC(=O)NC1CCC(C)CC1)CC1CC[NH+](C)CC1 ZINC000879123337 597826250 /nfs/dbraw/zinc/82/62/50/597826250.db2.gz DRVUFQIBWFKSSI-UHFFFAOYSA-N 2 1 339.524 1.972 20 0 EDADMP CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000883654159 597850099 /nfs/dbraw/zinc/85/00/99/597850099.db2.gz UGUVEKMZJNZJSA-MRXNPFEDSA-N 2 1 331.464 1.884 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000883654159 597850104 /nfs/dbraw/zinc/85/01/04/597850104.db2.gz UGUVEKMZJNZJSA-MRXNPFEDSA-N 2 1 331.464 1.884 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H]2[C@H]1CCC[N@H+]2C)c1ccccc1 ZINC000880137175 597853737 /nfs/dbraw/zinc/85/37/37/597853737.db2.gz ZCZHNFIYNFXLKV-GUDVDZBRSA-N 2 1 344.503 1.574 20 0 EDADMP CC(=O)Nc1cccc2c1C[N@@H+](CCC(=O)N1CCN(C)CC1)CC2 ZINC000879237046 597861032 /nfs/dbraw/zinc/86/10/32/597861032.db2.gz DGALBWBRWQMYJN-UHFFFAOYSA-N 2 1 344.459 1.167 20 0 EDADMP CC(=O)Nc1cccc2c1C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000879237046 597861034 /nfs/dbraw/zinc/86/10/34/597861034.db2.gz DGALBWBRWQMYJN-UHFFFAOYSA-N 2 1 344.459 1.167 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879244775 597862666 /nfs/dbraw/zinc/86/26/66/597862666.db2.gz GISPQXOOBUYMRJ-MJGOQNOKSA-N 2 1 331.460 1.349 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879244775 597862667 /nfs/dbraw/zinc/86/26/67/597862667.db2.gz GISPQXOOBUYMRJ-MJGOQNOKSA-N 2 1 331.460 1.349 20 0 EDADMP C[C@H]1C[N@@H+](C[C@H](O)COCc2ccco2)CCN1c1cc[nH+]cc1 ZINC000880262103 597886185 /nfs/dbraw/zinc/88/61/85/597886185.db2.gz TWLWJODATZAOHD-RDJZCZTQSA-N 2 1 331.416 1.763 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc(OCC(N)=O)cc2)CCN1c1cc[nH+]cc1 ZINC000880263642 597887002 /nfs/dbraw/zinc/88/70/02/597887002.db2.gz ZITKDOASCOMGAF-HNNXBMFYSA-N 2 1 340.427 1.656 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]([NH3+])CC3CC3)cc2)CC1 ZINC000884198124 598025053 /nfs/dbraw/zinc/02/50/53/598025053.db2.gz NRYYILRBKSVMIE-QGZVFWFLSA-N 2 1 344.459 1.069 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC[N@H+]1C ZINC000884206274 598028500 /nfs/dbraw/zinc/02/85/00/598028500.db2.gz QMKWLTQDUSRNLG-PMPSAXMXSA-N 2 1 331.464 1.784 20 0 EDADMP CCC1([NH+]2CCC2)CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000884206185 598028510 /nfs/dbraw/zinc/02/85/10/598028510.db2.gz OCCGHMCRPHOKOA-UHFFFAOYSA-N 2 1 348.495 1.646 20 0 EDADMP [NH3+][C@@H](C(=O)NCC1([NH3+])CCOCC1)c1ccccc1C(F)(F)F ZINC000884432381 598103677 /nfs/dbraw/zinc/10/36/77/598103677.db2.gz CTDCSZXWDCDSDC-GFCCVEGCSA-N 2 1 331.338 1.329 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@@H](O)c3ccccc3F)nn2)CC1 ZINC000881406147 598139848 /nfs/dbraw/zinc/13/98/48/598139848.db2.gz GPXHMJWATDQUPI-QGZVFWFLSA-N 2 1 333.411 1.116 20 0 EDADMP Cc1noc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000995013858 699973274 /nfs/dbraw/zinc/97/32/74/699973274.db2.gz JPZSBZFBUKBCHI-CABCVRRESA-N 2 1 347.463 1.381 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[N@H+]1C ZINC000914191666 695267413 /nfs/dbraw/zinc/26/74/13/695267413.db2.gz BVGYNWGEHIRWGO-LSDHHAIUSA-N 2 1 340.537 1.740 20 0 EDADMP C[C@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@H+]1CCC1CC1 ZINC000993370279 696021050 /nfs/dbraw/zinc/02/10/50/696021050.db2.gz WIULZGKZIQAKOV-RDJZCZTQSA-N 2 1 347.507 1.828 20 0 EDADMP C[C@H]1[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CCC[N@H+]1CCO ZINC000993628543 696291802 /nfs/dbraw/zinc/29/18/02/696291802.db2.gz HSCHUBDQZQRUGK-MAUKXSAKSA-N 2 1 333.476 1.366 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993737037 696340307 /nfs/dbraw/zinc/34/03/07/696340307.db2.gz BGAIMKONGRRJLC-MAUKXSAKSA-N 2 1 347.507 1.539 20 0 EDADMP COCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994118594 696525270 /nfs/dbraw/zinc/52/52/70/696525270.db2.gz VZQVZQSZRGFZSM-YOEHRIQHSA-N 2 1 343.431 1.496 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994118594 696525271 /nfs/dbraw/zinc/52/52/71/696525271.db2.gz VZQVZQSZRGFZSM-YOEHRIQHSA-N 2 1 343.431 1.496 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CC[C@@H]3CCCCO3)C2)C1 ZINC001015706979 696608901 /nfs/dbraw/zinc/60/89/01/696608901.db2.gz LHTQXIAQHOERRE-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC[C@@H]3CCCCO3)C2)C1 ZINC001015706979 696608903 /nfs/dbraw/zinc/60/89/03/696608903.db2.gz LHTQXIAQHOERRE-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC[C@@H]3CCCCO3)C2)C1 ZINC001015706979 696608905 /nfs/dbraw/zinc/60/89/05/696608905.db2.gz LHTQXIAQHOERRE-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP O=C(NCc1cn2c(n1)CCCC2)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000916341988 696653056 /nfs/dbraw/zinc/65/30/56/696653056.db2.gz OJFZVQLOTCBQBD-GJZGRUSLSA-N 2 1 349.504 1.598 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)ncn1 ZINC000994257057 696664434 /nfs/dbraw/zinc/66/44/34/696664434.db2.gz SFQWRAWDOGXKNM-NVXWUHKLSA-N 2 1 343.475 1.350 20 0 EDADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)ncn1 ZINC000994257057 696664436 /nfs/dbraw/zinc/66/44/36/696664436.db2.gz SFQWRAWDOGXKNM-NVXWUHKLSA-N 2 1 343.475 1.350 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CCC[N@H+]1CCCO ZINC000994482942 696923317 /nfs/dbraw/zinc/92/33/17/696923317.db2.gz FUSDULCCQNPWCZ-QAPCUYQASA-N 2 1 333.476 1.713 20 0 EDADMP Cc1ccccc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000940024315 700122699 /nfs/dbraw/zinc/12/26/99/700122699.db2.gz FRVOAGGFRHLRCA-GOSISDBHSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000940024315 700122702 /nfs/dbraw/zinc/12/27/02/700122702.db2.gz FRVOAGGFRHLRCA-GOSISDBHSA-N 2 1 345.487 1.796 20 0 EDADMP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000154791501 697200003 /nfs/dbraw/zinc/20/00/03/697200003.db2.gz FTUUUTXJYUHDEB-UHFFFAOYSA-N 2 1 339.480 1.062 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC001031585542 697280203 /nfs/dbraw/zinc/28/02/03/697280203.db2.gz ZBEMEWIBQOIXIY-INIZCTEOSA-N 2 1 345.443 1.100 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC001031585542 697280205 /nfs/dbraw/zinc/28/02/05/697280205.db2.gz ZBEMEWIBQOIXIY-INIZCTEOSA-N 2 1 345.443 1.100 20 0 EDADMP Cc1cccc([C@H](C)[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC001031596748 697297362 /nfs/dbraw/zinc/29/73/62/697297362.db2.gz OWLFDUSIWPNKNP-MAUKXSAKSA-N 2 1 331.460 1.435 20 0 EDADMP Cc1cccc([C@H](C)[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001031596748 697297363 /nfs/dbraw/zinc/29/73/63/697297363.db2.gz OWLFDUSIWPNKNP-MAUKXSAKSA-N 2 1 331.460 1.435 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000920421003 697429009 /nfs/dbraw/zinc/42/90/09/697429009.db2.gz GODMCXDFMLCVSP-UHFFFAOYSA-N 2 1 340.512 1.661 20 0 EDADMP Cc1noc(CCC[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC001031665693 697446095 /nfs/dbraw/zinc/44/60/95/697446095.db2.gz DXAJILHMRRDAJA-INIZCTEOSA-N 2 1 349.479 1.231 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001031667033 697448116 /nfs/dbraw/zinc/44/81/16/697448116.db2.gz WGJMJJPJILVSQT-FUHWJXTLSA-N 2 1 337.508 1.724 20 0 EDADMP O=C(NCC1C[NH+](CCC(F)(F)F)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031669042 697464292 /nfs/dbraw/zinc/46/42/92/697464292.db2.gz WLKHHKZHERWQEN-ZIAGYGMSSA-N 2 1 333.398 1.861 20 0 EDADMP O=C(NCC1C[NH+](CCC(F)(F)F)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031669042 697464293 /nfs/dbraw/zinc/46/42/93/697464293.db2.gz WLKHHKZHERWQEN-ZIAGYGMSSA-N 2 1 333.398 1.861 20 0 EDADMP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031669339 697464411 /nfs/dbraw/zinc/46/44/11/697464411.db2.gz IALLTGSEESALSG-RTBURBONSA-N 2 1 349.519 1.726 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCC[C@@H]3CCOC3)C2)CC[N@H+]1C ZINC001031686998 697518290 /nfs/dbraw/zinc/51/82/90/697518290.db2.gz XLGUBXLCGOUZAS-BPQIPLTHSA-N 2 1 337.508 1.581 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NCc2nc(CN(C)C)cs2)C[N@H+]1C1CC1 ZINC000921382663 697581287 /nfs/dbraw/zinc/58/12/87/697581287.db2.gz HMNHROUJQUZPJR-RYUDHWBXSA-N 2 1 337.493 1.629 20 0 EDADMP CCO[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)C[NH+](C)C ZINC000921426735 697603342 /nfs/dbraw/zinc/60/33/42/697603342.db2.gz JSFJOTCLSCHAPJ-HOTGVXAUSA-N 2 1 328.501 1.230 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2c(C)noc2CC)C1 ZINC001031715038 697738420 /nfs/dbraw/zinc/73/84/20/697738420.db2.gz PDRFTEWQGOPAJX-QGZVFWFLSA-N 2 1 348.491 1.968 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2c(C)noc2CC)C1 ZINC001031715038 697738422 /nfs/dbraw/zinc/73/84/22/697738422.db2.gz PDRFTEWQGOPAJX-QGZVFWFLSA-N 2 1 348.491 1.968 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2c(C)noc2CC)C1 ZINC001031715038 697738427 /nfs/dbraw/zinc/73/84/27/697738427.db2.gz PDRFTEWQGOPAJX-QGZVFWFLSA-N 2 1 348.491 1.968 20 0 EDADMP Cc1ncc(CN2CC(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)cn1 ZINC001031729190 698082518 /nfs/dbraw/zinc/08/25/18/698082518.db2.gz HMLWKFWHNQPRKK-GOSISDBHSA-N 2 1 345.491 1.311 20 0 EDADMP CCCC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943516278 698430766 /nfs/dbraw/zinc/43/07/66/698430766.db2.gz KTDZSGNFXBISRP-WBVHZDCISA-N 2 1 335.496 1.685 20 0 EDADMP Cc1cccn2cc(CC(=O)N[C@H]3CC[N@H+](CCCO)C[C@@H]3C)nc12 ZINC000943517548 698432128 /nfs/dbraw/zinc/43/21/28/698432128.db2.gz PNNHPTUHDHQQOI-RDJZCZTQSA-N 2 1 344.459 1.394 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ncccc2C)C1 ZINC000995038781 700228964 /nfs/dbraw/zinc/22/89/64/700228964.db2.gz QYUIFRCNWHASQD-DLBZAZTESA-N 2 1 341.459 1.970 20 0 EDADMP C#CCC[NH+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000068444518 698600213 /nfs/dbraw/zinc/60/02/13/698600213.db2.gz YRWFBOFFJXPQQM-UHFFFAOYSA-N 2 1 329.444 1.408 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881849 699013736 /nfs/dbraw/zinc/01/37/36/699013736.db2.gz KBRGPADWPIUEDA-DOTOQJQBSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CCC3CCCCC3)C2)O1 ZINC001031765131 699050625 /nfs/dbraw/zinc/05/06/25/699050625.db2.gz BFWRQQAZPXOUSY-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CCC3CCCCC3)C2)O1 ZINC001031765131 699050627 /nfs/dbraw/zinc/05/06/27/699050627.db2.gz BFWRQQAZPXOUSY-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939129362 699208629 /nfs/dbraw/zinc/20/86/29/699208629.db2.gz WDOCKERCWYIDTJ-JKSUJKDBSA-N 2 1 347.507 1.571 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccns1 ZINC000939138260 699217539 /nfs/dbraw/zinc/21/75/39/699217539.db2.gz VEAANBDRQPGVDI-UKRRQHHQSA-N 2 1 336.505 1.812 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000939236989 699406259 /nfs/dbraw/zinc/40/62/59/699406259.db2.gz SXKNFESXGHTDDI-ZBFHGGJFSA-N 2 1 344.463 1.377 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)co1 ZINC000939258633 699436184 /nfs/dbraw/zinc/43/61/84/699436184.db2.gz SAXHLFJRHLLUEV-CXAGYDPISA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000183360354 701597555 /nfs/dbraw/zinc/59/75/55/701597555.db2.gz KDLVLMGAJDIBHG-OIISXLGYSA-N 2 1 327.428 1.545 20 0 EDADMP C[C@@H]1CCC[N@H+]1CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000183360354 701597556 /nfs/dbraw/zinc/59/75/56/701597556.db2.gz KDLVLMGAJDIBHG-OIISXLGYSA-N 2 1 327.428 1.545 20 0 EDADMP C[C@@H]1CCC[NH+]1CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000183360354 701597557 /nfs/dbraw/zinc/59/75/57/701597557.db2.gz KDLVLMGAJDIBHG-OIISXLGYSA-N 2 1 327.428 1.545 20 0 EDADMP C[C@@H]1CCC[NH+]1CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000183360354 701597558 /nfs/dbraw/zinc/59/75/58/701597558.db2.gz KDLVLMGAJDIBHG-OIISXLGYSA-N 2 1 327.428 1.545 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1cscn1 ZINC000939395590 699545681 /nfs/dbraw/zinc/54/56/81/699545681.db2.gz ALMNTNBQZFMSDE-GOEBONIOSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)n1 ZINC000939398851 699548039 /nfs/dbraw/zinc/54/80/39/699548039.db2.gz RVLOFCBUPUYEHN-DOTOQJQBSA-N 2 1 345.491 1.453 20 0 EDADMP CC(C)c1ocnc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939544070 699685365 /nfs/dbraw/zinc/68/53/65/699685365.db2.gz HRYXKYUKMNZJRJ-HOCLYGCPSA-N 2 1 346.475 1.830 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ccc(Cl)nc2)[C@@H](C)C1 ZINC000939750316 699897734 /nfs/dbraw/zinc/89/77/34/699897734.db2.gz YQVYEPRBNOCGIZ-WFASDCNBSA-N 2 1 347.850 1.877 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CCc2ccns2)[C@@H](C)C1 ZINC000939755912 699922456 /nfs/dbraw/zinc/92/24/56/699922456.db2.gz RTXLCJMKGYNYBS-WFASDCNBSA-N 2 1 333.461 1.327 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)s1 ZINC000939756319 699922823 /nfs/dbraw/zinc/92/28/23/699922823.db2.gz SXNKXDMGILAKHO-STQMWFEESA-N 2 1 337.493 1.133 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]CCc2cccs2)C1 ZINC000939757398 699924531 /nfs/dbraw/zinc/92/45/31/699924531.db2.gz YDGYTTVQOWAWPR-XJKSGUPXSA-N 2 1 332.473 1.932 20 0 EDADMP CCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000940148938 700281600 /nfs/dbraw/zinc/28/16/00/700281600.db2.gz HDGMAAKUAHGNTE-INIZCTEOSA-N 2 1 349.479 1.443 20 0 EDADMP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000940176837 700309774 /nfs/dbraw/zinc/30/97/74/700309774.db2.gz QZQWFMTZTUYZPV-HOTGVXAUSA-N 2 1 347.463 1.557 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)nn1C ZINC000940178047 700311433 /nfs/dbraw/zinc/31/14/33/700311433.db2.gz AOOXJQMQUQTSCE-KRWDZBQOSA-N 2 1 347.507 1.684 20 0 EDADMP CC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000940219404 700381193 /nfs/dbraw/zinc/38/11/93/700381193.db2.gz KDKJRIFNQLIPKO-GNZRSQJKSA-N 2 1 347.503 1.620 20 0 EDADMP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000940327659 700504766 /nfs/dbraw/zinc/50/47/66/700504766.db2.gz MXWUWLBYTAEYJS-GDBMZVCRSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940327711 700504807 /nfs/dbraw/zinc/50/48/07/700504807.db2.gz OZTAFBSMVGRVBT-NVXWUHKLSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000940328032 700505772 /nfs/dbraw/zinc/50/57/72/700505772.db2.gz CWBALBPNMIIGKR-HNNXBMFYSA-N 2 1 347.507 1.541 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000940329502 700509120 /nfs/dbraw/zinc/50/91/20/700509120.db2.gz UTYMLQLFZVOXJJ-SJORKVTESA-N 2 1 337.508 1.726 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)co1 ZINC000940426074 700619530 /nfs/dbraw/zinc/61/95/30/700619530.db2.gz DWBNMCKRWSFBAX-OAHLLOKOSA-N 2 1 334.464 1.796 20 0 EDADMP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940426264 700620125 /nfs/dbraw/zinc/62/01/25/700620125.db2.gz MHRKTSMHXBANRA-HNNXBMFYSA-N 2 1 333.480 1.233 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]Cc3ccccn3)CC2)C1 ZINC000940426740 700620981 /nfs/dbraw/zinc/62/09/81/700620981.db2.gz ZVRGYSBDGWXDCS-MRXNPFEDSA-N 2 1 330.476 1.894 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)o1 ZINC000940625094 700786706 /nfs/dbraw/zinc/78/67/06/700786706.db2.gz OSUIHQZUWVABHP-CVEARBPZSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940625094 700786708 /nfs/dbraw/zinc/78/67/08/700786708.db2.gz OSUIHQZUWVABHP-CVEARBPZSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940625094 700786711 /nfs/dbraw/zinc/78/67/11/700786711.db2.gz OSUIHQZUWVABHP-CVEARBPZSA-N 2 1 334.464 1.794 20 0 EDADMP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940646750 700809295 /nfs/dbraw/zinc/80/92/95/700809295.db2.gz JCFDRUFVOWQQIP-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940646750 700809297 /nfs/dbraw/zinc/80/92/97/700809297.db2.gz JCFDRUFVOWQQIP-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940646750 700809300 /nfs/dbraw/zinc/80/93/00/700809300.db2.gz JCFDRUFVOWQQIP-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940646750 700809302 /nfs/dbraw/zinc/80/93/02/700809302.db2.gz JCFDRUFVOWQQIP-HOTGVXAUSA-N 2 1 325.497 1.580 20 0 EDADMP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000940868276 700949315 /nfs/dbraw/zinc/94/93/15/700949315.db2.gz ZERRBINGJRIXBR-INIZCTEOSA-N 2 1 330.432 1.547 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901851 700976916 /nfs/dbraw/zinc/97/69/16/700976916.db2.gz RFLNYDQTBLILJE-RXCRORICSA-N 2 1 349.519 1.722 20 0 EDADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901851 700976918 /nfs/dbraw/zinc/97/69/18/700976918.db2.gz RFLNYDQTBLILJE-RXCRORICSA-N 2 1 349.519 1.722 20 0 EDADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901851 700976919 /nfs/dbraw/zinc/97/69/19/700976919.db2.gz RFLNYDQTBLILJE-RXCRORICSA-N 2 1 349.519 1.722 20 0 EDADMP CC(C)N1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](C(C)C)CC2(C)C)C1 ZINC000940973442 701015456 /nfs/dbraw/zinc/01/54/56/701015456.db2.gz VDZKQBKJJTYTGM-JKSUJKDBSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973442 701015459 /nfs/dbraw/zinc/01/54/59/701015459.db2.gz VDZKQBKJJTYTGM-JKSUJKDBSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973442 701015460 /nfs/dbraw/zinc/01/54/60/701015460.db2.gz VDZKQBKJJTYTGM-JKSUJKDBSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](C(C)C)CC2(C)C)C1 ZINC000940973442 701015462 /nfs/dbraw/zinc/01/54/62/701015462.db2.gz VDZKQBKJJTYTGM-JKSUJKDBSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](C(C)C)CC2(C)C)C1 ZINC000940973442 701015464 /nfs/dbraw/zinc/01/54/64/701015464.db2.gz VDZKQBKJJTYTGM-JKSUJKDBSA-N 2 1 325.497 1.721 20 0 EDADMP Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)c1 ZINC001031920312 701057597 /nfs/dbraw/zinc/05/75/97/701057597.db2.gz ZFFCVVZAXQBEIU-IBGZPJMESA-N 2 1 345.487 1.652 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027494 701067271 /nfs/dbraw/zinc/06/72/71/701067271.db2.gz GQVYIUIUORBHGW-HNNXBMFYSA-N 2 1 325.497 1.581 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027494 701067274 /nfs/dbraw/zinc/06/72/74/701067274.db2.gz GQVYIUIUORBHGW-HNNXBMFYSA-N 2 1 325.497 1.581 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027494 701067276 /nfs/dbraw/zinc/06/72/76/701067276.db2.gz GQVYIUIUORBHGW-HNNXBMFYSA-N 2 1 325.497 1.581 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941091531 701135369 /nfs/dbraw/zinc/13/53/69/701135369.db2.gz VYRSXQAAMAERDM-INIZCTEOSA-N 2 1 335.496 1.685 20 0 EDADMP Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)n1 ZINC000941166903 701377740 /nfs/dbraw/zinc/37/77/40/701377740.db2.gz LLIQXKRCPVOHIS-MRXNPFEDSA-N 2 1 345.491 1.233 20 0 EDADMP Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)n1 ZINC000941166903 701377742 /nfs/dbraw/zinc/37/77/42/701377742.db2.gz LLIQXKRCPVOHIS-MRXNPFEDSA-N 2 1 345.491 1.233 20 0 EDADMP Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217644 701404146 /nfs/dbraw/zinc/40/41/46/701404146.db2.gz RJUMULCUEGLWKE-NVXWUHKLSA-N 2 1 347.507 1.131 20 0 EDADMP Cn1nccc1CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941217644 701404147 /nfs/dbraw/zinc/40/41/47/701404147.db2.gz RJUMULCUEGLWKE-NVXWUHKLSA-N 2 1 347.507 1.131 20 0 EDADMP Cn1nccc1CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217644 701404148 /nfs/dbraw/zinc/40/41/48/701404148.db2.gz RJUMULCUEGLWKE-NVXWUHKLSA-N 2 1 347.507 1.131 20 0 EDADMP CC1(C)C[N@@H+](CC[C@H]2CCCO2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221233 701411740 /nfs/dbraw/zinc/41/17/40/701411740.db2.gz NWRBTQHSZLYAQG-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000941236823 701427582 /nfs/dbraw/zinc/42/75/82/701427582.db2.gz BCKBPWOSTSVPKC-QAPCUYQASA-N 2 1 347.503 1.959 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCC3CC3)C2)CC1 ZINC000941431829 701538262 /nfs/dbraw/zinc/53/82/62/701538262.db2.gz UTMOMSRYLWTUHZ-LJQANCHMSA-N 2 1 348.535 1.489 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128629 701794023 /nfs/dbraw/zinc/79/40/23/701794023.db2.gz IILAHYHIJJMEMI-JKSUJKDBSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128804 701799877 /nfs/dbraw/zinc/79/98/77/701799877.db2.gz KRDZTMIPVVFAOA-RDJZCZTQSA-N 2 1 334.464 1.651 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031978019 701982483 /nfs/dbraw/zinc/98/24/83/701982483.db2.gz MLEVNIIKNLIABE-SWLSCSKDSA-N 2 1 334.464 1.291 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031978019 701982486 /nfs/dbraw/zinc/98/24/86/701982486.db2.gz MLEVNIIKNLIABE-SWLSCSKDSA-N 2 1 334.464 1.291 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000999189039 706630825 /nfs/dbraw/zinc/63/08/25/706630825.db2.gz GOPAUCVBFHVKPB-FGTMMUONSA-N 2 1 347.507 1.421 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031978428 702090719 /nfs/dbraw/zinc/09/07/19/702090719.db2.gz SQKGWOHNPBNARL-ABAIWWIYSA-N 2 1 336.505 1.506 20 0 EDADMP Cc1nsc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031978428 702090725 /nfs/dbraw/zinc/09/07/25/702090725.db2.gz SQKGWOHNPBNARL-ABAIWWIYSA-N 2 1 336.505 1.506 20 0 EDADMP Cc1ccnc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)n1 ZINC000995823386 702093412 /nfs/dbraw/zinc/09/34/12/702093412.db2.gz FZYWQCGXVRQCJB-BZUAXINKSA-N 2 1 345.491 1.452 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)n1 ZINC000995823386 702093420 /nfs/dbraw/zinc/09/34/20/702093420.db2.gz FZYWQCGXVRQCJB-BZUAXINKSA-N 2 1 345.491 1.452 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)n1 ZINC000995823386 702093426 /nfs/dbraw/zinc/09/34/26/702093426.db2.gz FZYWQCGXVRQCJB-BZUAXINKSA-N 2 1 345.491 1.452 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cscn3)C(C)(C)C2)CC[N@@H+]1C ZINC000995834702 702111881 /nfs/dbraw/zinc/11/18/81/702111881.db2.gz VCFGHWJWUFABRA-BPLDGKMQSA-N 2 1 336.505 1.810 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cscn3)C(C)(C)C2)CC[N@H+]1C ZINC000995834702 702111885 /nfs/dbraw/zinc/11/18/85/702111885.db2.gz VCFGHWJWUFABRA-BPLDGKMQSA-N 2 1 336.505 1.810 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nccn2C)C(C)(C)C1 ZINC000995878069 702184290 /nfs/dbraw/zinc/18/42/90/702184290.db2.gz DBOPYJFHUDSVDR-HZPDHXFCSA-N 2 1 347.507 1.621 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000995888242 702227573 /nfs/dbraw/zinc/22/75/73/702227573.db2.gz SEWFVCUDIWWMLD-JKSUJKDBSA-N 2 1 348.495 1.016 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000995888242 702227579 /nfs/dbraw/zinc/22/75/79/702227579.db2.gz SEWFVCUDIWWMLD-JKSUJKDBSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@@H]([NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C)c1cnccn1 ZINC000995915951 702276700 /nfs/dbraw/zinc/27/67/00/702276700.db2.gz HOFBLACCVAPQSU-PBHICJAKSA-N 2 1 345.491 1.849 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000995973035 702357524 /nfs/dbraw/zinc/35/75/24/702357524.db2.gz FQZAHLIQWNGPIP-UONOGXRCSA-N 2 1 337.493 1.349 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)c(C)o1 ZINC000944167829 702406982 /nfs/dbraw/zinc/40/69/82/702406982.db2.gz FYZSDQWRNVHQBE-CZUORRHYSA-N 2 1 346.475 1.714 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)c(C)o1 ZINC000944167829 702406984 /nfs/dbraw/zinc/40/69/84/702406984.db2.gz FYZSDQWRNVHQBE-CZUORRHYSA-N 2 1 346.475 1.714 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)o1 ZINC000944155706 702448426 /nfs/dbraw/zinc/44/84/26/702448426.db2.gz OUNVBNSWQIGYFV-UKRRQHHQSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)o1 ZINC000944155706 702448428 /nfs/dbraw/zinc/44/84/28/702448428.db2.gz OUNVBNSWQIGYFV-UKRRQHHQSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)on1 ZINC000944155310 702448759 /nfs/dbraw/zinc/44/87/59/702448759.db2.gz MFZNIFYNFVVDCL-BBRMVZONSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ncccc2C)C1 ZINC000995197496 702456423 /nfs/dbraw/zinc/45/64/23/702456423.db2.gz LYOJEKHOKBRDJO-IRXDYDNUSA-N 2 1 341.459 1.970 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC1CC1 ZINC000996072562 702484314 /nfs/dbraw/zinc/48/43/14/702484314.db2.gz QEZARLBCSBPTOD-BWRBCVJASA-N 2 1 333.476 1.086 20 0 EDADMP C[C@H]1C[N@@H+](CC2CC2)CC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942057917 702508318 /nfs/dbraw/zinc/50/83/18/702508318.db2.gz QUOQJBGNYSXURS-GOEBONIOSA-N 2 1 333.480 1.295 20 0 EDADMP CC1(C)CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccon1 ZINC000996102180 702520830 /nfs/dbraw/zinc/52/08/30/702520830.db2.gz UFZWEIVYBHJVHW-IRXDYDNUSA-N 2 1 346.475 1.876 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnc(C)cn2)C1 ZINC000995212458 702698439 /nfs/dbraw/zinc/69/84/39/702698439.db2.gz OXKUCEDGIXSKJN-JKSUJKDBSA-N 2 1 342.447 1.365 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@H]([NH2+]CC3CC3)C(C)(C)C1)C2 ZINC000996310726 702700002 /nfs/dbraw/zinc/70/00/02/702700002.db2.gz PBXFFIFUARGMNX-RDJZCZTQSA-N 2 1 330.476 1.991 20 0 EDADMP CC1(C)CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]CC1CCCC1 ZINC000996414180 702765143 /nfs/dbraw/zinc/76/51/43/702765143.db2.gz KHXQVAZIBBBYRR-KRWDZBQOSA-N 2 1 337.508 1.726 20 0 EDADMP CC1CC(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC2(C)C)C1 ZINC000996415651 702766189 /nfs/dbraw/zinc/76/61/89/702766189.db2.gz WPJRMTXFHMNYSW-JCYILVPMSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC000996465198 702792402 /nfs/dbraw/zinc/79/24/02/702792402.db2.gz STNIGFQMIOBXKE-HNNXBMFYSA-N 2 1 335.452 1.331 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC000996465198 702792403 /nfs/dbraw/zinc/79/24/03/702792403.db2.gz STNIGFQMIOBXKE-HNNXBMFYSA-N 2 1 335.452 1.331 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)[nH]1 ZINC000996500595 702839676 /nfs/dbraw/zinc/83/96/76/702839676.db2.gz HBLDKQOFWNQBRG-HOCLYGCPSA-N 2 1 346.479 1.068 20 0 EDADMP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996500560 702839697 /nfs/dbraw/zinc/83/96/97/702839697.db2.gz GSYUNDIQUHTLPF-CRAIPNDOSA-N 2 1 346.475 1.938 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000996561043 702875091 /nfs/dbraw/zinc/87/50/91/702875091.db2.gz OCFXWSBVLYQOCV-OAHLLOKOSA-N 2 1 347.463 1.054 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996607602 702911211 /nfs/dbraw/zinc/91/12/11/702911211.db2.gz CZFKPJTWDMYLHJ-BBRMVZONSA-N 2 1 334.464 1.515 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cncn3C)CC2)CC[N@H+]1C ZINC000996605037 702914482 /nfs/dbraw/zinc/91/44/82/702914482.db2.gz YBZRRQFEUPFKIG-DLBZAZTESA-N 2 1 333.480 1.231 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)C(C)(C)C1 ZINC000996611682 702917080 /nfs/dbraw/zinc/91/70/80/702917080.db2.gz NPTUUEOPYNBFEO-HZPDHXFCSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)s1 ZINC000996614318 702919671 /nfs/dbraw/zinc/91/96/71/702919671.db2.gz MRTWBGQSOUDBFN-QWHCGFSZSA-N 2 1 337.493 1.125 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)s1 ZINC000996614318 702919672 /nfs/dbraw/zinc/91/96/72/702919672.db2.gz MRTWBGQSOUDBFN-QWHCGFSZSA-N 2 1 337.493 1.125 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cncc(F)c2)C(C)(C)C1 ZINC000996627185 702930548 /nfs/dbraw/zinc/93/05/48/702930548.db2.gz XJQXLFHARHSHOS-INIZCTEOSA-N 2 1 345.422 1.752 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2conc2C)CC1 ZINC000996644248 702946768 /nfs/dbraw/zinc/94/67/68/702946768.db2.gz IGBYKENVGYNLFW-KRWDZBQOSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(C)cn2)CC1 ZINC000996661623 702959234 /nfs/dbraw/zinc/95/92/34/702959234.db2.gz MKQSVURBZTZBIX-KRWDZBQOSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000996678332 702977159 /nfs/dbraw/zinc/97/71/59/702977159.db2.gz MHUZCSNDBLZATP-MRXNPFEDSA-N 2 1 343.431 1.838 20 0 EDADMP CCc1noc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996678402 702977169 /nfs/dbraw/zinc/97/71/69/702977169.db2.gz NHJWWTZGCZLWQV-BLLLJJGKSA-N 2 1 349.479 1.614 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996679186 702978179 /nfs/dbraw/zinc/97/81/79/702978179.db2.gz QKASZUYMRFLCJE-OAHLLOKOSA-N 2 1 329.404 1.529 20 0 EDADMP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)n1 ZINC000996680772 702979257 /nfs/dbraw/zinc/97/92/57/702979257.db2.gz VASCPYUHIDDNAX-INIZCTEOSA-N 2 1 342.447 1.275 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996681190 702979928 /nfs/dbraw/zinc/97/99/28/702979928.db2.gz XLOUNTQNCMBOBS-NVXWUHKLSA-N 2 1 346.475 1.768 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1)c1cnccn1 ZINC000996688378 702985459 /nfs/dbraw/zinc/98/54/59/702985459.db2.gz IIQSGLJUMOUVAO-DOTOQJQBSA-N 2 1 345.491 1.993 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000355117870 703004747 /nfs/dbraw/zinc/00/47/47/703004747.db2.gz JUFYFMNALFLZPL-IRXDYDNUSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000355117870 703004751 /nfs/dbraw/zinc/00/47/51/703004751.db2.gz JUFYFMNALFLZPL-IRXDYDNUSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000355117870 703004754 /nfs/dbraw/zinc/00/47/54/703004754.db2.gz JUFYFMNALFLZPL-IRXDYDNUSA-N 2 1 325.497 1.722 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC000996725977 703020171 /nfs/dbraw/zinc/02/01/71/703020171.db2.gz UPCGNHWKVUYEJL-HNNXBMFYSA-N 2 1 346.479 1.247 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001032027414 703049458 /nfs/dbraw/zinc/04/94/58/703049458.db2.gz RCCBABXMYPOXNU-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)n1 ZINC000996765887 703057065 /nfs/dbraw/zinc/05/70/65/703057065.db2.gz IKZOUZNWCQRVPA-UHFFFAOYSA-N 2 1 347.463 1.341 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000996766270 703057585 /nfs/dbraw/zinc/05/75/85/703057585.db2.gz ZQYBINVZKXHOQP-GOSISDBHSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2cn(C(C)C)nn2)CC1 ZINC000996796920 703081795 /nfs/dbraw/zinc/08/17/95/703081795.db2.gz BVHODKDUZASBFN-UHFFFAOYSA-N 2 1 345.451 1.145 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2c(C)noc2C)CC1 ZINC000996799806 703085802 /nfs/dbraw/zinc/08/58/02/703085802.db2.gz YXIUJIYXNPSJFJ-UHFFFAOYSA-N 2 1 331.420 1.577 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]C(C)C)C1 ZINC000996857992 703142069 /nfs/dbraw/zinc/14/20/69/703142069.db2.gz NABCJCKWODQXRS-STQMWFEESA-N 2 1 332.370 1.826 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3ncccn3)CC2)C1 ZINC000996904626 703176572 /nfs/dbraw/zinc/17/65/72/703176572.db2.gz NOBJLESGQOFOPR-MRXNPFEDSA-N 2 1 345.491 1.679 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3nncn3C)CC2)C1 ZINC000996904038 703178523 /nfs/dbraw/zinc/17/85/23/703178523.db2.gz LYSHAPVRFLDZJR-HNNXBMFYSA-N 2 1 348.495 1.018 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CC3CCOCC3)CC2)CC[N@H+]1C ZINC000996921060 703192127 /nfs/dbraw/zinc/19/21/27/703192127.db2.gz IMCDKAVTPPBAJG-RDJZCZTQSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000996977412 703242120 /nfs/dbraw/zinc/24/21/20/703242120.db2.gz ILFCSLOVSDDGHW-RDTXWAMCSA-N 2 1 345.491 1.596 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([NH2+]C[C@H]3C[C@@]34CCOC4)CC2)C1 ZINC000996996925 703260598 /nfs/dbraw/zinc/26/05/98/703260598.db2.gz BSIGXCICCPUBIF-OXQOHEQNSA-N 2 1 349.519 1.726 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)[nH]1 ZINC000997004151 703261293 /nfs/dbraw/zinc/26/12/93/703261293.db2.gz BVDMOTSMJYBWTC-HIFRSBDPSA-N 2 1 348.495 1.206 20 0 EDADMP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997005494 703262836 /nfs/dbraw/zinc/26/28/36/703262836.db2.gz DSXNARXWUBFCCO-RHSMWYFYSA-N 2 1 333.480 1.181 20 0 EDADMP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997005486 703262853 /nfs/dbraw/zinc/26/28/53/703262853.db2.gz DSXNARXWUBFCCO-PBHICJAKSA-N 2 1 333.480 1.181 20 0 EDADMP Cc1nccnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000997006554 703263974 /nfs/dbraw/zinc/26/39/74/703263974.db2.gz MTUZTDXCRZDHLQ-AWEZNQCLSA-N 2 1 331.464 1.207 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000997007835 703265262 /nfs/dbraw/zinc/26/52/62/703265262.db2.gz JSDJSNXWKHCODF-DNVCBOLYSA-N 2 1 345.487 1.974 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000997009114 703269733 /nfs/dbraw/zinc/26/97/33/703269733.db2.gz OTDCDTWFYHGGLQ-BBRMVZONSA-N 2 1 336.505 1.464 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)oc1C ZINC000997013183 703272821 /nfs/dbraw/zinc/27/28/21/703272821.db2.gz ZAJIJWPUBAPPFO-BLLLJJGKSA-N 2 1 334.464 1.570 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942820808 703329188 /nfs/dbraw/zinc/32/91/88/703329188.db2.gz AGLNQNJBKQIQAW-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[NH+](Cc2ccnn2C)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942820808 703329190 /nfs/dbraw/zinc/32/91/90/703329190.db2.gz AGLNQNJBKQIQAW-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[NH+](Cc2ccnn2C)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942820808 703329192 /nfs/dbraw/zinc/32/91/92/703329192.db2.gz AGLNQNJBKQIQAW-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)n1 ZINC000997115148 703368876 /nfs/dbraw/zinc/36/88/76/703368876.db2.gz JQCWGVCAHCXPOV-UHFFFAOYSA-N 2 1 349.479 1.445 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCc1ccns1 ZINC001032400891 703416449 /nfs/dbraw/zinc/41/64/49/703416449.db2.gz YAYXCHXBBSVKSF-YQQAZPJKSA-N 2 1 348.516 1.844 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)n1 ZINC000997187002 703476268 /nfs/dbraw/zinc/47/62/68/703476268.db2.gz VNBUBESZNITTAA-GOEBONIOSA-N 2 1 349.479 1.579 20 0 EDADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997287354 703549659 /nfs/dbraw/zinc/54/96/59/703549659.db2.gz OGEDHTNXBNZWNB-OAHLLOKOSA-N 2 1 347.507 1.479 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCc3ccccc3)CC2)C1 ZINC000997334685 703562781 /nfs/dbraw/zinc/56/27/81/703562781.db2.gz GFNIAFKIHDRFRG-LJQANCHMSA-N 2 1 345.487 1.530 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCc3ccccc3)CC2)C1 ZINC000997334685 703562782 /nfs/dbraw/zinc/56/27/82/703562782.db2.gz GFNIAFKIHDRFRG-LJQANCHMSA-N 2 1 345.487 1.530 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC3=CCCCC3)CC2)C1 ZINC000997335326 703562968 /nfs/dbraw/zinc/56/29/68/703562968.db2.gz KMLHVVJUFSNBEF-GOSISDBHSA-N 2 1 335.492 1.788 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC3=CCCCC3)CC2)C1 ZINC000997335326 703562969 /nfs/dbraw/zinc/56/29/69/703562969.db2.gz KMLHVVJUFSNBEF-GOSISDBHSA-N 2 1 335.492 1.788 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3C)CC2)C1 ZINC000997336501 703579367 /nfs/dbraw/zinc/57/93/67/703579367.db2.gz PUJALJMJTNHHMU-LJQANCHMSA-N 2 1 345.487 1.796 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3C)CC2)C1 ZINC000997336501 703579369 /nfs/dbraw/zinc/57/93/69/703579369.db2.gz PUJALJMJTNHHMU-LJQANCHMSA-N 2 1 345.487 1.796 20 0 EDADMP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000997362665 703596693 /nfs/dbraw/zinc/59/66/93/703596693.db2.gz BAPDLZPFSBKLTJ-KRWDZBQOSA-N 2 1 347.507 1.858 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCOCC1 ZINC001032433092 703602223 /nfs/dbraw/zinc/60/22/23/703602223.db2.gz JGLWJDRPWLVIJS-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032433092 703602225 /nfs/dbraw/zinc/60/22/25/703602225.db2.gz JGLWJDRPWLVIJS-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032433092 703602227 /nfs/dbraw/zinc/60/22/27/703602227.db2.gz JGLWJDRPWLVIJS-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP CCO[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)C[NH+](C)C ZINC000921565725 703605927 /nfs/dbraw/zinc/60/59/27/703605927.db2.gz PIVGLUHBMXRIIK-SJORKVTESA-N 2 1 342.528 1.620 20 0 EDADMP CCn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C2CCC2)cn1 ZINC001032448801 703624391 /nfs/dbraw/zinc/62/43/91/703624391.db2.gz VMIRLSIFDAFYHN-ROUUACIJSA-N 2 1 345.491 1.215 20 0 EDADMP CCn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C2CCC2)cn1 ZINC001032448801 703624392 /nfs/dbraw/zinc/62/43/92/703624392.db2.gz VMIRLSIFDAFYHN-ROUUACIJSA-N 2 1 345.491 1.215 20 0 EDADMP CCn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+](C)C2CCC2)cn1 ZINC001032448801 703624393 /nfs/dbraw/zinc/62/43/93/703624393.db2.gz VMIRLSIFDAFYHN-ROUUACIJSA-N 2 1 345.491 1.215 20 0 EDADMP CCn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+](C)C2CCC2)cn1 ZINC001032448801 703624394 /nfs/dbraw/zinc/62/43/94/703624394.db2.gz VMIRLSIFDAFYHN-ROUUACIJSA-N 2 1 345.491 1.215 20 0 EDADMP CCc1cnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997421780 703670910 /nfs/dbraw/zinc/67/09/10/703670910.db2.gz RPOJDUYPMNWBSJ-ZBFHGGJFSA-N 2 1 348.491 1.905 20 0 EDADMP CCc1cnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997421780 703670911 /nfs/dbraw/zinc/67/09/11/703670911.db2.gz RPOJDUYPMNWBSJ-ZBFHGGJFSA-N 2 1 348.491 1.905 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccns2)CC1 ZINC000997422785 703671380 /nfs/dbraw/zinc/67/13/80/703671380.db2.gz ZCVVWFWXHMAPGD-UKRRQHHQSA-N 2 1 336.505 1.812 20 0 EDADMP CC[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2)OC ZINC001032472454 703685769 /nfs/dbraw/zinc/68/57/69/703685769.db2.gz UCHJHZCEMPGTHS-ULQDDVLXSA-N 2 1 335.492 1.573 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(CO)cc2)C(C)(C)C1 ZINC000995550085 703929521 /nfs/dbraw/zinc/92/95/21/703929521.db2.gz HSZUVDZKCKMNFB-ROUUACIJSA-N 2 1 345.487 1.600 20 0 EDADMP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995549831 703933709 /nfs/dbraw/zinc/93/37/09/703933709.db2.gz FYDYXONCTVYVJE-SJORKVTESA-N 2 1 330.476 1.811 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)on1 ZINC001004203688 703940240 /nfs/dbraw/zinc/94/02/40/703940240.db2.gz NCLWELSCMVSUTR-GASCZTMLSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)on1 ZINC001004203688 703940246 /nfs/dbraw/zinc/94/02/46/703940246.db2.gz NCLWELSCMVSUTR-GASCZTMLSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001004204110 703942666 /nfs/dbraw/zinc/94/26/66/703942666.db2.gz PMWZGYQTHVYXFK-KBPBESRZSA-N 2 1 334.464 1.936 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC000997645660 703953219 /nfs/dbraw/zinc/95/32/19/703953219.db2.gz PQJSROUPDPQASF-SFHVURJKSA-N 2 1 349.519 1.726 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC000997645660 703953221 /nfs/dbraw/zinc/95/32/21/703953221.db2.gz PQJSROUPDPQASF-SFHVURJKSA-N 2 1 349.519 1.726 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)ncn1 ZINC000995550935 703954755 /nfs/dbraw/zinc/95/47/55/703954755.db2.gz KRMVTUUAZWKIPA-HZPDHXFCSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)s1 ZINC000995551363 703956670 /nfs/dbraw/zinc/95/66/70/703956670.db2.gz MHGNYBIBQFVDHB-CABCVRRESA-N 2 1 336.505 1.872 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1 ZINC000997652762 703967921 /nfs/dbraw/zinc/96/79/21/703967921.db2.gz FFGKWBIBILFUGO-DOTOQJQBSA-N 2 1 325.497 1.316 20 0 EDADMP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995555535 703975446 /nfs/dbraw/zinc/97/54/46/703975446.db2.gz ZYUVCQDMFLEXCM-IAGOWNOFSA-N 2 1 348.491 1.966 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccnn3C)C2)C1 ZINC000999288797 706783019 /nfs/dbraw/zinc/78/30/19/706783019.db2.gz ALVFDJPQPXBDNF-HJOIGYKYSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082182 704137958 /nfs/dbraw/zinc/13/79/58/704137958.db2.gz OUIIFDCNDODQNN-RBUKOAKNSA-N 2 1 342.487 1.765 20 0 EDADMP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001033083506 704141650 /nfs/dbraw/zinc/14/16/50/704141650.db2.gz AJACIPJVFBWMNM-ZBKLQPJUSA-N 2 1 339.871 1.344 20 0 EDADMP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001033083506 704141651 /nfs/dbraw/zinc/14/16/51/704141651.db2.gz AJACIPJVFBWMNM-ZBKLQPJUSA-N 2 1 339.871 1.344 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033079934 704143790 /nfs/dbraw/zinc/14/37/90/704143790.db2.gz AJXJQJDVFYNHHT-RDJZCZTQSA-N 2 1 332.448 1.358 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033079934 704143792 /nfs/dbraw/zinc/14/37/92/704143792.db2.gz AJXJQJDVFYNHHT-RDJZCZTQSA-N 2 1 332.448 1.358 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](C[C@@H]4CCOC4)C[C@H]3CC2)CC[N@H+]1C ZINC000946595145 704271040 /nfs/dbraw/zinc/27/10/40/704271040.db2.gz KKMJJMNIJRMROY-MTHXSQLBSA-N 2 1 349.519 1.534 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]3CC2)CC[NH+]1C ZINC000946595145 704271042 /nfs/dbraw/zinc/27/10/42/704271042.db2.gz KKMJJMNIJRMROY-MTHXSQLBSA-N 2 1 349.519 1.534 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]3CC2)CC[NH+]1C ZINC000946595145 704271044 /nfs/dbraw/zinc/27/10/44/704271044.db2.gz KKMJJMNIJRMROY-MTHXSQLBSA-N 2 1 349.519 1.534 20 0 EDADMP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000999302556 706806044 /nfs/dbraw/zinc/80/60/44/706806044.db2.gz HWKRLDNBURLOBQ-IQAUEXFUSA-N 2 1 334.464 1.792 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC000999302923 706806391 /nfs/dbraw/zinc/80/63/91/706806391.db2.gz GSODRPCPZREKPV-DOTOQJQBSA-N 2 1 333.480 1.375 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nc(CC)no2)C1 ZINC000999310453 706813384 /nfs/dbraw/zinc/81/33/84/706813384.db2.gz YGVAJHHWMYYSBV-CABCVRRESA-N 2 1 349.479 1.587 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCF)CC1)C1CC1 ZINC001004455862 704449344 /nfs/dbraw/zinc/44/93/44/704449344.db2.gz BJSRGTKQSNNPQC-IRXDYDNUSA-N 2 1 325.472 1.999 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000997708070 704599373 /nfs/dbraw/zinc/59/93/73/704599373.db2.gz LSUJPFMTKACLCU-RLFYNMQTSA-N 2 1 345.491 1.849 20 0 EDADMP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997779628 704681645 /nfs/dbraw/zinc/68/16/45/704681645.db2.gz FFEFLXMEWUMHPA-WMZOPIPTSA-N 2 1 346.475 1.877 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000997785773 704690154 /nfs/dbraw/zinc/69/01/54/704690154.db2.gz LYDBTNWIPLKEFT-UKRRQHHQSA-N 2 1 349.479 1.300 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000997785773 704690156 /nfs/dbraw/zinc/69/01/56/704690156.db2.gz LYDBTNWIPLKEFT-UKRRQHHQSA-N 2 1 349.479 1.300 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000997821451 704741389 /nfs/dbraw/zinc/74/13/89/704741389.db2.gz LGGZTQMVVGOXRD-SFHVURJKSA-N 2 1 347.507 1.623 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC3CCCC3)CC2)O1 ZINC000997860035 704768961 /nfs/dbraw/zinc/76/89/61/704768961.db2.gz OJLQDMPGTQCTNT-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]CC3CCCC3)CC2)O1 ZINC000997860035 704768962 /nfs/dbraw/zinc/76/89/62/704768962.db2.gz OJLQDMPGTQCTNT-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC000944918680 704769919 /nfs/dbraw/zinc/76/99/19/704769919.db2.gz LINFCPKVKKXVJP-XJKSGUPXSA-N 2 1 334.464 1.714 20 0 EDADMP CCn1ccc(CN2CC[C@H](NC(=O)CN3CCCC3)[C@@H](C)C2)n1 ZINC000944946673 704799767 /nfs/dbraw/zinc/79/97/67/704799767.db2.gz YDXFTYJVEGWUSC-RDJZCZTQSA-N 2 1 333.480 1.325 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944964196 704832126 /nfs/dbraw/zinc/83/21/26/704832126.db2.gz HDTSRLWDFCBQBN-DOMZBBRYSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944964196 704832129 /nfs/dbraw/zinc/83/21/29/704832129.db2.gz HDTSRLWDFCBQBN-DOMZBBRYSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000998039544 705234326 /nfs/dbraw/zinc/23/43/26/705234326.db2.gz BXBYPDZVWFNVQZ-MRXNPFEDSA-N 2 1 337.468 1.292 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000998078999 705292081 /nfs/dbraw/zinc/29/20/81/705292081.db2.gz NUMIRNQFXVYTGB-XJKSGUPXSA-N 2 1 336.505 1.669 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000998081207 705301465 /nfs/dbraw/zinc/30/14/65/705301465.db2.gz GVHIKNBLLQJNRJ-HNNXBMFYSA-N 2 1 348.466 1.891 20 0 EDADMP Cc1conc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000998081306 705301917 /nfs/dbraw/zinc/30/19/17/705301917.db2.gz ISHCBBUOCXOUKB-AWEZNQCLSA-N 2 1 334.464 1.653 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)c(C)o1 ZINC000998079533 705303588 /nfs/dbraw/zinc/30/35/88/705303588.db2.gz QRXYSMVFIQCWRL-GUYCJALGSA-N 2 1 348.491 1.817 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000998079820 705304491 /nfs/dbraw/zinc/30/44/91/705304491.db2.gz UALCVIHMFNUDIH-UKRRQHHQSA-N 2 1 349.479 1.158 20 0 EDADMP CCc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000998079820 705304495 /nfs/dbraw/zinc/30/44/95/705304495.db2.gz UALCVIHMFNUDIH-UKRRQHHQSA-N 2 1 349.479 1.158 20 0 EDADMP CCn1ccc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000998080552 705305970 /nfs/dbraw/zinc/30/59/70/705305970.db2.gz DGGHEUSLJDZPML-INIZCTEOSA-N 2 1 347.507 1.716 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC000998080470 705306036 /nfs/dbraw/zinc/30/60/36/705306036.db2.gz ALUYWZNZUQDAEK-UONOGXRCSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1ccncc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998082128 705308758 /nfs/dbraw/zinc/30/87/58/705308758.db2.gz NRATUYWIPSOBGQ-LPHOPBHVSA-N 2 1 344.503 1.916 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000998082989 705310806 /nfs/dbraw/zinc/31/08/06/705310806.db2.gz SINQYQVXJQLBGC-INIZCTEOSA-N 2 1 337.508 1.726 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000998097294 705322441 /nfs/dbraw/zinc/32/24/41/705322441.db2.gz BUSQISSCDUPJJE-SJORKVTESA-N 2 1 325.497 1.556 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](CCCO)CC1 ZINC000998097294 705322443 /nfs/dbraw/zinc/32/24/43/705322443.db2.gz BUSQISSCDUPJJE-SJORKVTESA-N 2 1 325.497 1.556 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](CCCO)CC1 ZINC000998097294 705322446 /nfs/dbraw/zinc/32/24/46/705322446.db2.gz BUSQISSCDUPJJE-SJORKVTESA-N 2 1 325.497 1.556 20 0 EDADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998145090 705415446 /nfs/dbraw/zinc/41/54/46/705415446.db2.gz DDJUFYRLUDEFQB-IRXDYDNUSA-N 2 1 347.463 1.415 20 0 EDADMP [NH2+]=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H]1CCOc2ccccc21 ZINC000083034748 705527296 /nfs/dbraw/zinc/52/72/96/705527296.db2.gz KOVFGAADYGGZNF-IIAWOOMASA-N 2 1 330.432 1.278 20 0 EDADMP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998263960 705634351 /nfs/dbraw/zinc/63/43/51/705634351.db2.gz DIGOINSNGXLHMO-INIZCTEOSA-N 2 1 334.464 1.571 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998265945 705637187 /nfs/dbraw/zinc/63/71/87/705637187.db2.gz NHEJKACZQRZMFN-HIFRSBDPSA-N 2 1 349.479 1.473 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3ncc(C4CC4)o3)CC2)C1 ZINC000998274101 705654699 /nfs/dbraw/zinc/65/46/99/705654699.db2.gz RATLMLCOOJAAAK-INIZCTEOSA-N 2 1 346.475 1.832 20 0 EDADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000998584044 706018123 /nfs/dbraw/zinc/01/81/23/706018123.db2.gz ABVSGFPTJXECOT-HTWSVDAQSA-N 2 1 347.459 1.105 20 0 EDADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000998584044 706018125 /nfs/dbraw/zinc/01/81/25/706018125.db2.gz ABVSGFPTJXECOT-HTWSVDAQSA-N 2 1 347.459 1.105 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000998721121 706148400 /nfs/dbraw/zinc/14/84/00/706148400.db2.gz LOPPFIYTIVHGTL-HOCLYGCPSA-N 2 1 336.867 1.910 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000998798065 706245239 /nfs/dbraw/zinc/24/52/39/706245239.db2.gz XZPGKZZAKNEXKE-XSCHDIRWSA-N 2 1 349.479 1.612 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000998798065 706245240 /nfs/dbraw/zinc/24/52/40/706245240.db2.gz XZPGKZZAKNEXKE-XSCHDIRWSA-N 2 1 349.479 1.612 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnnn2CC)C1 ZINC000998865004 706294773 /nfs/dbraw/zinc/29/47/73/706294773.db2.gz DSEULTUZUVDPFK-DQPZFDDXSA-N 2 1 348.495 1.251 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)[nH]1 ZINC000998902454 706339123 /nfs/dbraw/zinc/33/91/23/706339123.db2.gz VJHRUMHDEPFGJH-FHERZECASA-N 2 1 348.495 1.170 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC000998993979 706411381 /nfs/dbraw/zinc/41/13/81/706411381.db2.gz IGRBNUKXDAZQOK-PREGVCBESA-N 2 1 331.464 1.348 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)oc1C ZINC000999051607 706472180 /nfs/dbraw/zinc/47/21/80/706472180.db2.gz RCDDKPZINWGNJN-UHFFFAOYSA-N 2 1 346.475 1.999 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999146837 706560660 /nfs/dbraw/zinc/56/06/60/706560660.db2.gz YOGFLAPFHJLDMS-NVXWUHKLSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999146837 706560664 /nfs/dbraw/zinc/56/06/64/706560664.db2.gz YOGFLAPFHJLDMS-NVXWUHKLSA-N 2 1 334.464 1.936 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000999131215 706566012 /nfs/dbraw/zinc/56/60/12/706566012.db2.gz AVWHHXCKDNCXOC-IRXDYDNUSA-N 2 1 333.480 1.337 20 0 EDADMP Cn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999152753 706582086 /nfs/dbraw/zinc/58/20/86/706582086.db2.gz LNRFSPQXBSITJP-OAHLLOKOSA-N 2 1 348.495 1.160 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cs1 ZINC000999369621 706883476 /nfs/dbraw/zinc/88/34/76/706883476.db2.gz JZCDOGYHVPXTBH-GOEBONIOSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)on1 ZINC000999398347 706893022 /nfs/dbraw/zinc/89/30/22/706893022.db2.gz COZSQZFCYPUCFH-JKSUJKDBSA-N 2 1 334.464 1.938 20 0 EDADMP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000999402966 706911518 /nfs/dbraw/zinc/91/15/18/706911518.db2.gz SYYVQANHFAGLFU-QZTJIDSGSA-N 2 1 347.507 1.858 20 0 EDADMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)cn1 ZINC000999406125 706915671 /nfs/dbraw/zinc/91/56/71/706915671.db2.gz KKNDBBBPYLMAEV-OOHWJJMZSA-N 2 1 346.475 1.654 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnon2)C1 ZINC000999505283 707002676 /nfs/dbraw/zinc/00/26/76/707002676.db2.gz JHEBSWSYRAGTFS-BCLQGDPASA-N 2 1 335.452 1.412 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnon2)C1 ZINC000999505283 707002680 /nfs/dbraw/zinc/00/26/80/707002680.db2.gz JHEBSWSYRAGTFS-BCLQGDPASA-N 2 1 335.452 1.412 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999515744 707014897 /nfs/dbraw/zinc/01/48/97/707014897.db2.gz YOLUNLKIRDOLLY-SJORKVTESA-N 2 1 333.480 1.293 20 0 EDADMP CCc1cc(NC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nc(C)[nH+]1 ZINC001060880527 707019117 /nfs/dbraw/zinc/01/91/17/707019117.db2.gz GKIVEYBWZJXAFY-HNNXBMFYSA-N 2 1 331.464 1.704 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999575585 707082522 /nfs/dbraw/zinc/08/25/22/707082522.db2.gz OYMJGMZHTSJDAB-SJORKVTESA-N 2 1 345.491 1.678 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999575585 707082524 /nfs/dbraw/zinc/08/25/24/707082524.db2.gz OYMJGMZHTSJDAB-SJORKVTESA-N 2 1 345.491 1.678 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)[nH]1 ZINC000999576153 707083094 /nfs/dbraw/zinc/08/30/94/707083094.db2.gz UFHXGSXNYLQSNZ-JKSUJKDBSA-N 2 1 348.495 1.314 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)[nH]1 ZINC000999576153 707083097 /nfs/dbraw/zinc/08/30/97/707083097.db2.gz UFHXGSXNYLQSNZ-JKSUJKDBSA-N 2 1 348.495 1.314 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC000999680872 707165538 /nfs/dbraw/zinc/16/55/38/707165538.db2.gz BRPMYPPVOQRLRG-WLYUNCDWSA-N 2 1 348.495 1.349 20 0 EDADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779264 707238994 /nfs/dbraw/zinc/23/89/94/707238994.db2.gz LUWNTRBZGOHWJL-XLAORIBOSA-N 2 1 337.508 1.534 20 0 EDADMP COC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779264 707238995 /nfs/dbraw/zinc/23/89/95/707238995.db2.gz LUWNTRBZGOHWJL-XLAORIBOSA-N 2 1 337.508 1.534 20 0 EDADMP COC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779264 707238996 /nfs/dbraw/zinc/23/89/96/707238996.db2.gz LUWNTRBZGOHWJL-XLAORIBOSA-N 2 1 337.508 1.534 20 0 EDADMP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999687762 707241466 /nfs/dbraw/zinc/24/14/66/707241466.db2.gz JHBHTJLYDIRWBH-AOCRQIFASA-N 2 1 347.507 1.421 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)n1 ZINC001033194037 707430306 /nfs/dbraw/zinc/43/03/06/707430306.db2.gz AQSHSULFEOIQCP-HOTGVXAUSA-N 2 1 349.479 1.328 20 0 EDADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033198116 707459977 /nfs/dbraw/zinc/45/99/77/707459977.db2.gz KSBKZOFXCWFJPV-RBUKOAKNSA-N 2 1 345.487 1.696 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033198116 707459980 /nfs/dbraw/zinc/45/99/80/707459980.db2.gz KSBKZOFXCWFJPV-RBUKOAKNSA-N 2 1 345.487 1.696 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033198116 707459981 /nfs/dbraw/zinc/45/99/81/707459981.db2.gz KSBKZOFXCWFJPV-RBUKOAKNSA-N 2 1 345.487 1.696 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000999834931 707466296 /nfs/dbraw/zinc/46/62/96/707466296.db2.gz DVLHMGABAYVVTI-WLYUNCDWSA-N 2 1 332.448 1.583 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000999834931 707466302 /nfs/dbraw/zinc/46/63/02/707466302.db2.gz DVLHMGABAYVVTI-WLYUNCDWSA-N 2 1 332.448 1.583 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CCc3ccccc3)C2)C1 ZINC000999860934 707497488 /nfs/dbraw/zinc/49/74/88/707497488.db2.gz GATYZXANWLGGNM-ACBHZAAOSA-N 2 1 345.487 1.529 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CCc3ccccc3)C2)C1 ZINC000999860934 707497490 /nfs/dbraw/zinc/49/74/90/707497490.db2.gz GATYZXANWLGGNM-ACBHZAAOSA-N 2 1 345.487 1.529 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2csnn2)C1 ZINC000999875930 707523137 /nfs/dbraw/zinc/52/31/37/707523137.db2.gz FAODFRSAXNXHNZ-ZALBZXLWSA-N 2 1 337.493 1.492 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2csnn2)C1 ZINC000999875930 707523140 /nfs/dbraw/zinc/52/31/40/707523140.db2.gz FAODFRSAXNXHNZ-ZALBZXLWSA-N 2 1 337.493 1.492 20 0 EDADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@H+](CCCO)C[C@H]3CC2)CC1 ZINC000946808917 707526358 /nfs/dbraw/zinc/52/63/58/707526358.db2.gz UEWHELQYJVXUEY-HDICACEKSA-N 2 1 337.508 1.271 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033326378 707537520 /nfs/dbraw/zinc/53/75/20/707537520.db2.gz OYADFIZUFXSBQA-KZNAEPCWSA-N 2 1 331.460 1.347 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001033326378 707537522 /nfs/dbraw/zinc/53/75/22/707537522.db2.gz OYADFIZUFXSBQA-KZNAEPCWSA-N 2 1 331.460 1.347 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001033326378 707537523 /nfs/dbraw/zinc/53/75/23/707537523.db2.gz OYADFIZUFXSBQA-KZNAEPCWSA-N 2 1 331.460 1.347 20 0 EDADMP C[C@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004878079 707549893 /nfs/dbraw/zinc/54/98/93/707549893.db2.gz PLTKEKMJSHONFJ-YJBOKZPZSA-N 2 1 347.507 1.764 20 0 EDADMP C[C@@H]([NH2+]Cc1cnon1)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004879346 707551845 /nfs/dbraw/zinc/55/18/45/707551845.db2.gz RFVNAGKXEVFVSZ-CZUORRHYSA-N 2 1 335.452 1.413 20 0 EDADMP C[C@@H]([NH2+]Cc1cnon1)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004879346 707551847 /nfs/dbraw/zinc/55/18/47/707551847.db2.gz RFVNAGKXEVFVSZ-CZUORRHYSA-N 2 1 335.452 1.413 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC000999972520 707583935 /nfs/dbraw/zinc/58/39/35/707583935.db2.gz GBNMFLJJPQENFA-JKSUJKDBSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC000999972520 707583937 /nfs/dbraw/zinc/58/39/37/707583937.db2.gz GBNMFLJJPQENFA-JKSUJKDBSA-N 2 1 348.495 1.018 20 0 EDADMP Cc1cc(NC[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC001060894481 707642323 /nfs/dbraw/zinc/64/23/23/707642323.db2.gz MTZSRFALSOAJFD-JKSUJKDBSA-N 2 1 331.464 1.696 20 0 EDADMP Cc1cc(NC[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC001060894481 707642327 /nfs/dbraw/zinc/64/23/27/707642327.db2.gz MTZSRFALSOAJFD-JKSUJKDBSA-N 2 1 331.464 1.696 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccns2)C1 ZINC001032732212 707736602 /nfs/dbraw/zinc/73/66/02/707736602.db2.gz YUUVMJRICNLNDY-ILXRZTDVSA-N 2 1 334.489 1.313 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccns2)C1 ZINC001032732212 707736605 /nfs/dbraw/zinc/73/66/05/707736605.db2.gz YUUVMJRICNLNDY-ILXRZTDVSA-N 2 1 334.489 1.313 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccns2)C1 ZINC001032732212 707736607 /nfs/dbraw/zinc/73/66/07/707736607.db2.gz YUUVMJRICNLNDY-ILXRZTDVSA-N 2 1 334.489 1.313 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccns2)C1 ZINC001032732212 707736609 /nfs/dbraw/zinc/73/66/09/707736609.db2.gz YUUVMJRICNLNDY-ILXRZTDVSA-N 2 1 334.489 1.313 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1)C12CC[NH+](CC1)C2 ZINC001032733920 707742911 /nfs/dbraw/zinc/74/29/11/707742911.db2.gz MUENPORSOHMXOQ-KBPBESRZSA-N 2 1 332.473 1.067 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1)C12CC[NH+](CC1)C2 ZINC001032733920 707742914 /nfs/dbraw/zinc/74/29/14/707742914.db2.gz MUENPORSOHMXOQ-KBPBESRZSA-N 2 1 332.473 1.067 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033417274 707799878 /nfs/dbraw/zinc/79/98/78/707799878.db2.gz VUXCWHIFELPCOO-YOEHRIQHSA-N 2 1 333.480 1.246 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001033417274 707799883 /nfs/dbraw/zinc/79/98/83/707799883.db2.gz VUXCWHIFELPCOO-YOEHRIQHSA-N 2 1 333.480 1.246 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033417274 707799885 /nfs/dbraw/zinc/79/98/85/707799885.db2.gz VUXCWHIFELPCOO-YOEHRIQHSA-N 2 1 333.480 1.246 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033417274 707799889 /nfs/dbraw/zinc/79/98/89/707799889.db2.gz VUXCWHIFELPCOO-YOEHRIQHSA-N 2 1 333.480 1.246 20 0 EDADMP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC001000194260 707831035 /nfs/dbraw/zinc/83/10/35/707831035.db2.gz VPWGWHFHCVMROO-CRAIPNDOSA-N 2 1 330.476 1.812 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033227234 707842121 /nfs/dbraw/zinc/84/21/21/707842121.db2.gz BZLAQYZVAMHBKD-INIZCTEOSA-N 2 1 331.464 1.044 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cnns1 ZINC001004993159 707875899 /nfs/dbraw/zinc/87/58/99/707875899.db2.gz QICDQVGDDUWZNU-WFASDCNBSA-N 2 1 348.476 1.602 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001033470662 707932068 /nfs/dbraw/zinc/93/20/68/707932068.db2.gz CDIXUAJGFODUHC-DLBZAZTESA-N 2 1 348.495 1.074 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033470662 707932072 /nfs/dbraw/zinc/93/20/72/707932072.db2.gz CDIXUAJGFODUHC-DLBZAZTESA-N 2 1 348.495 1.074 20 0 EDADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033470662 707932074 /nfs/dbraw/zinc/93/20/74/707932074.db2.gz CDIXUAJGFODUHC-DLBZAZTESA-N 2 1 348.495 1.074 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc(C)[nH+]1 ZINC001060927672 707932958 /nfs/dbraw/zinc/93/29/58/707932958.db2.gz PRRBWECVRWLSRL-DOTOQJQBSA-N 2 1 343.475 1.696 20 0 EDADMP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000921748171 707967304 /nfs/dbraw/zinc/96/73/04/707967304.db2.gz SZDYDPHZPSOSPT-OKYOBFRVSA-N 2 1 337.508 1.188 20 0 EDADMP CN(C)c1cccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001032782249 707972474 /nfs/dbraw/zinc/97/24/74/707972474.db2.gz ZKGYZAOOSVHPTM-WDSOQIARSA-N 2 1 342.487 1.489 20 0 EDADMP CN(C)c1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001032782249 707972477 /nfs/dbraw/zinc/97/24/77/707972477.db2.gz ZKGYZAOOSVHPTM-WDSOQIARSA-N 2 1 342.487 1.489 20 0 EDADMP CN(C)c1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001032782249 707972480 /nfs/dbraw/zinc/97/24/80/707972480.db2.gz ZKGYZAOOSVHPTM-WDSOQIARSA-N 2 1 342.487 1.489 20 0 EDADMP CN(C)c1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001032782249 707972483 /nfs/dbraw/zinc/97/24/83/707972483.db2.gz ZKGYZAOOSVHPTM-WDSOQIARSA-N 2 1 342.487 1.489 20 0 EDADMP CN(C)c1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001032782249 707972484 /nfs/dbraw/zinc/97/24/84/707972484.db2.gz ZKGYZAOOSVHPTM-WDSOQIARSA-N 2 1 342.487 1.489 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCC2)C1 ZINC001032793254 708052866 /nfs/dbraw/zinc/05/28/66/708052866.db2.gz XXLIVNNWYYZWHO-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCC2)C1 ZINC001032793254 708052869 /nfs/dbraw/zinc/05/28/69/708052869.db2.gz XXLIVNNWYYZWHO-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCC2)C1 ZINC001032793254 708052870 /nfs/dbraw/zinc/05/28/70/708052870.db2.gz XXLIVNNWYYZWHO-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCC2)C1 ZINC001032793254 708052873 /nfs/dbraw/zinc/05/28/73/708052873.db2.gz XXLIVNNWYYZWHO-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP CO[C@H](C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)C1CCC1 ZINC001000700929 708060177 /nfs/dbraw/zinc/06/01/77/708060177.db2.gz AHGQEXLLCRDFNT-ATZDWAIDSA-N 2 1 349.519 1.890 20 0 EDADMP CO[C@H](C[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C1CCC1 ZINC001000700929 708060178 /nfs/dbraw/zinc/06/01/78/708060178.db2.gz AHGQEXLLCRDFNT-ATZDWAIDSA-N 2 1 349.519 1.890 20 0 EDADMP CO[C@H](C[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C1CCC1 ZINC001000700929 708060179 /nfs/dbraw/zinc/06/01/79/708060179.db2.gz AHGQEXLLCRDFNT-ATZDWAIDSA-N 2 1 349.519 1.890 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CCOC3CCCCCC3)C2)C1 ZINC001016250776 708121869 /nfs/dbraw/zinc/12/18/69/708121869.db2.gz QRBVEQIIOMZXFR-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCOC3CCCCCC3)C2)C1 ZINC001016250776 708121872 /nfs/dbraw/zinc/12/18/72/708121872.db2.gz QRBVEQIIOMZXFR-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCC2CCOCC2)CC1 ZINC001005183856 708134766 /nfs/dbraw/zinc/13/47/66/708134766.db2.gz KYBWVJWDPXYWHS-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582803 708266321 /nfs/dbraw/zinc/26/63/21/708266321.db2.gz RDMUPLQBUSCEOA-HOTGVXAUSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033582803 708266324 /nfs/dbraw/zinc/26/63/24/708266324.db2.gz RDMUPLQBUSCEOA-HOTGVXAUSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033582803 708266328 /nfs/dbraw/zinc/26/63/28/708266328.db2.gz RDMUPLQBUSCEOA-HOTGVXAUSA-N 2 1 348.491 1.920 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001033592447 708291184 /nfs/dbraw/zinc/29/11/84/708291184.db2.gz HAZSPJSYFCKPPW-QGZVFWFLSA-N 2 1 331.435 1.954 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)sc1C ZINC001033593355 708292957 /nfs/dbraw/zinc/29/29/57/708292957.db2.gz LGLUXFJRLMMVJA-OAHLLOKOSA-N 2 1 348.516 1.888 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)sc1C ZINC001033593355 708292960 /nfs/dbraw/zinc/29/29/60/708292960.db2.gz LGLUXFJRLMMVJA-OAHLLOKOSA-N 2 1 348.516 1.888 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1)C1CCCC1 ZINC001033594444 708296236 /nfs/dbraw/zinc/29/62/36/708296236.db2.gz QHFUSERRSMMPIR-QZTJIDSGSA-N 2 1 349.519 1.820 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001033663969 708445469 /nfs/dbraw/zinc/44/54/69/708445469.db2.gz AVKCAAJJDYRQHT-ZWKOTPCHSA-N 2 1 349.450 1.488 20 0 EDADMP COc1ccnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033665562 708448875 /nfs/dbraw/zinc/44/88/75/708448875.db2.gz OZJOFUODFFTDKU-GDBMZVCRSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ccnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033665562 708448878 /nfs/dbraw/zinc/44/88/78/708448878.db2.gz OZJOFUODFFTDKU-GDBMZVCRSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001033665562 708448881 /nfs/dbraw/zinc/44/88/81/708448881.db2.gz OZJOFUODFFTDKU-GDBMZVCRSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033665562 708448884 /nfs/dbraw/zinc/44/88/84/708448884.db2.gz OZJOFUODFFTDKU-GDBMZVCRSA-N 2 1 332.448 1.075 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001033667406 708454600 /nfs/dbraw/zinc/45/46/00/708454600.db2.gz GGIFQQGUPQATDO-QGZVFWFLSA-N 2 1 342.443 1.803 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001033667406 708454601 /nfs/dbraw/zinc/45/46/01/708454601.db2.gz GGIFQQGUPQATDO-QGZVFWFLSA-N 2 1 342.443 1.803 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC001033659092 708470505 /nfs/dbraw/zinc/47/05/05/708470505.db2.gz BLJLAEZFVIDPSE-RDJZCZTQSA-N 2 1 349.450 1.302 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC001033659092 708470507 /nfs/dbraw/zinc/47/05/07/708470507.db2.gz BLJLAEZFVIDPSE-RDJZCZTQSA-N 2 1 349.450 1.302 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc(CO)ccc2F)C1 ZINC001033659092 708470511 /nfs/dbraw/zinc/47/05/11/708470511.db2.gz BLJLAEZFVIDPSE-RDJZCZTQSA-N 2 1 349.450 1.302 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc(CO)ccc2F)C1 ZINC001033659092 708470514 /nfs/dbraw/zinc/47/05/14/708470514.db2.gz BLJLAEZFVIDPSE-RDJZCZTQSA-N 2 1 349.450 1.302 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1C ZINC001033661865 708475526 /nfs/dbraw/zinc/47/55/26/708475526.db2.gz MSNAEGFWJYMVSM-ZWKOTPCHSA-N 2 1 345.487 1.988 20 0 EDADMP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1C ZINC001033661865 708475529 /nfs/dbraw/zinc/47/55/29/708475529.db2.gz MSNAEGFWJYMVSM-ZWKOTPCHSA-N 2 1 345.487 1.988 20 0 EDADMP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1C ZINC001033661865 708475532 /nfs/dbraw/zinc/47/55/32/708475532.db2.gz MSNAEGFWJYMVSM-ZWKOTPCHSA-N 2 1 345.487 1.988 20 0 EDADMP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685402 708499556 /nfs/dbraw/zinc/49/95/56/708499556.db2.gz SQAIWOIYFNZGPX-WMLDXEAASA-N 2 1 346.475 1.029 20 0 EDADMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685402 708499558 /nfs/dbraw/zinc/49/95/58/708499558.db2.gz SQAIWOIYFNZGPX-WMLDXEAASA-N 2 1 346.475 1.029 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033686726 708501335 /nfs/dbraw/zinc/50/13/35/708501335.db2.gz SLKNFAOLNOZLEM-ROUUACIJSA-N 2 1 347.507 1.370 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033686726 708501338 /nfs/dbraw/zinc/50/13/38/708501338.db2.gz SLKNFAOLNOZLEM-ROUUACIJSA-N 2 1 347.507 1.370 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033686726 708501342 /nfs/dbraw/zinc/50/13/42/708501342.db2.gz SLKNFAOLNOZLEM-ROUUACIJSA-N 2 1 347.507 1.370 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033687100 708502147 /nfs/dbraw/zinc/50/21/47/708502147.db2.gz XWPXCWUQWRVUCQ-MSOLQXFVSA-N 2 1 347.507 1.636 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033687100 708502150 /nfs/dbraw/zinc/50/21/50/708502150.db2.gz XWPXCWUQWRVUCQ-MSOLQXFVSA-N 2 1 347.507 1.636 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001033687100 708502152 /nfs/dbraw/zinc/50/21/52/708502152.db2.gz XWPXCWUQWRVUCQ-MSOLQXFVSA-N 2 1 347.507 1.636 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001033687100 708502154 /nfs/dbraw/zinc/50/21/54/708502154.db2.gz XWPXCWUQWRVUCQ-MSOLQXFVSA-N 2 1 347.507 1.636 20 0 EDADMP O=C(NCC1CC[NH+](Cc2cscn2)CC1)C12CC[NH+](CC1)C2 ZINC001002052853 708584895 /nfs/dbraw/zinc/58/48/95/708584895.db2.gz LUAMHDPECXSJAD-UHFFFAOYSA-N 2 1 334.489 1.567 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC001033773418 708671154 /nfs/dbraw/zinc/67/11/54/708671154.db2.gz FFGMXHZRLIAWGG-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cnccc2C)C1 ZINC001033773418 708671155 /nfs/dbraw/zinc/67/11/55/708671155.db2.gz FFGMXHZRLIAWGG-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cnccc2C)C1 ZINC001033773418 708671158 /nfs/dbraw/zinc/67/11/58/708671158.db2.gz FFGMXHZRLIAWGG-MSOLQXFVSA-N 2 1 330.476 1.907 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001002139543 708676636 /nfs/dbraw/zinc/67/66/36/708676636.db2.gz XPAKNVOAFCDGPO-SFHVURJKSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001002139543 708676639 /nfs/dbraw/zinc/67/66/39/708676639.db2.gz XPAKNVOAFCDGPO-SFHVURJKSA-N 2 1 337.508 1.726 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cc(C)ns2)C1 ZINC001033777326 708704793 /nfs/dbraw/zinc/70/47/93/708704793.db2.gz UXRHRZXENLPLMS-ZBFHGGJFSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cc(C)ns2)C1 ZINC001033777326 708704794 /nfs/dbraw/zinc/70/47/94/708704794.db2.gz UXRHRZXENLPLMS-ZBFHGGJFSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cc(C)ns2)C1 ZINC001033777326 708704797 /nfs/dbraw/zinc/70/47/97/708704797.db2.gz UXRHRZXENLPLMS-ZBFHGGJFSA-N 2 1 336.505 1.969 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cc(C)ns2)C1 ZINC001033777326 708704799 /nfs/dbraw/zinc/70/47/99/708704799.db2.gz UXRHRZXENLPLMS-ZBFHGGJFSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c(N2CCCC2)[nH+]1 ZINC000921873872 708748677 /nfs/dbraw/zinc/74/86/77/708748677.db2.gz NSKLTEJXFSGHRT-GDBMZVCRSA-N 2 1 331.464 1.882 20 0 EDADMP Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c(N2CCCC2)[nH+]1 ZINC000921873872 708748678 /nfs/dbraw/zinc/74/86/78/708748678.db2.gz NSKLTEJXFSGHRT-GDBMZVCRSA-N 2 1 331.464 1.882 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccnn3C)CC2)CC[N@@H+]1C ZINC001005414411 708930714 /nfs/dbraw/zinc/93/07/14/708930714.db2.gz GSEFEMMNYIMZLS-ZWKOTPCHSA-N 2 1 347.507 1.573 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccnn3C)CC2)CC[N@H+]1C ZINC001005414411 708930717 /nfs/dbraw/zinc/93/07/17/708930717.db2.gz GSEFEMMNYIMZLS-ZWKOTPCHSA-N 2 1 347.507 1.573 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001033927429 709058366 /nfs/dbraw/zinc/05/83/66/709058366.db2.gz MAGLIAKLRJLQCV-MSOLQXFVSA-N 2 1 347.507 1.636 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001033927429 709058368 /nfs/dbraw/zinc/05/83/68/709058368.db2.gz MAGLIAKLRJLQCV-MSOLQXFVSA-N 2 1 347.507 1.636 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033927429 709058370 /nfs/dbraw/zinc/05/83/70/709058370.db2.gz MAGLIAKLRJLQCV-MSOLQXFVSA-N 2 1 347.507 1.636 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033927429 709058372 /nfs/dbraw/zinc/05/83/72/709058372.db2.gz MAGLIAKLRJLQCV-MSOLQXFVSA-N 2 1 347.507 1.636 20 0 EDADMP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033983071 709191741 /nfs/dbraw/zinc/19/17/41/709191741.db2.gz LRFNXDQNOCHIKU-SFHVURJKSA-N 2 1 347.507 1.781 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2oc(C)nc2C)C1 ZINC001034017604 709235255 /nfs/dbraw/zinc/23/52/55/709235255.db2.gz SJTYQKRWIXDHRW-MRXNPFEDSA-N 2 1 346.475 1.810 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001034039558 709272238 /nfs/dbraw/zinc/27/22/38/709272238.db2.gz KEUQHAICYIXCHA-IAGOWNOFSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001034039558 709272241 /nfs/dbraw/zinc/27/22/41/709272241.db2.gz KEUQHAICYIXCHA-IAGOWNOFSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001034039558 709272244 /nfs/dbraw/zinc/27/22/44/709272244.db2.gz KEUQHAICYIXCHA-IAGOWNOFSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001034039558 709272246 /nfs/dbraw/zinc/27/22/46/709272246.db2.gz KEUQHAICYIXCHA-IAGOWNOFSA-N 2 1 331.464 1.160 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2oc(C)nc2C)C1 ZINC001034039325 709272446 /nfs/dbraw/zinc/27/24/46/709272446.db2.gz HQYYEBPFLWCLSQ-JKSUJKDBSA-N 2 1 334.464 1.666 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2oc(C)nc2C)C1 ZINC001034039325 709272449 /nfs/dbraw/zinc/27/24/49/709272449.db2.gz HQYYEBPFLWCLSQ-JKSUJKDBSA-N 2 1 334.464 1.666 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2oc(C)nc2C)C1 ZINC001034039325 709272452 /nfs/dbraw/zinc/27/24/52/709272452.db2.gz HQYYEBPFLWCLSQ-JKSUJKDBSA-N 2 1 334.464 1.666 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3=CCCCC3)C2)C1 ZINC001034148502 709419375 /nfs/dbraw/zinc/41/93/75/709419375.db2.gz LEGGXPMYSSAZTR-QZTJIDSGSA-N 2 1 335.492 1.788 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3=CCCCC3)C2)C1 ZINC001034148502 709419378 /nfs/dbraw/zinc/41/93/78/709419378.db2.gz LEGGXPMYSSAZTR-QZTJIDSGSA-N 2 1 335.492 1.788 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC3=CCCCC3)C2)C1 ZINC001034148502 709419381 /nfs/dbraw/zinc/41/93/81/709419381.db2.gz LEGGXPMYSSAZTR-QZTJIDSGSA-N 2 1 335.492 1.788 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001034148502 709419384 /nfs/dbraw/zinc/41/93/84/709419384.db2.gz LEGGXPMYSSAZTR-QZTJIDSGSA-N 2 1 335.492 1.788 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034210504 709560988 /nfs/dbraw/zinc/56/09/88/709560988.db2.gz PFBSRLYGGBYMHS-MRXNPFEDSA-N 2 1 335.496 1.685 20 0 EDADMP C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034331562 709786535 /nfs/dbraw/zinc/78/65/35/709786535.db2.gz TVKZFILRVKZJTD-AEFFLSMTSA-N 2 1 347.503 1.756 20 0 EDADMP CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000702811760 709856955 /nfs/dbraw/zinc/85/69/55/709856955.db2.gz HGPZJOJDXGUSIA-QXSJWSMHSA-N 2 1 339.480 1.431 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC[C@@H]3CCCO3)C2)CC1 ZINC001034386015 709914530 /nfs/dbraw/zinc/91/45/30/709914530.db2.gz PBHHAEDRVKIHQR-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034393875 709928499 /nfs/dbraw/zinc/92/84/99/709928499.db2.gz GYJBUJWKCZTLBY-HOCLYGCPSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001034393875 709928501 /nfs/dbraw/zinc/92/85/01/709928501.db2.gz GYJBUJWKCZTLBY-HOCLYGCPSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034393875 709928503 /nfs/dbraw/zinc/92/85/03/709928503.db2.gz GYJBUJWKCZTLBY-HOCLYGCPSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034393875 709928505 /nfs/dbraw/zinc/92/85/05/709928505.db2.gz GYJBUJWKCZTLBY-HOCLYGCPSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nccnc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034395086 709932076 /nfs/dbraw/zinc/93/20/76/709932076.db2.gz UPROPAPEXXOTHN-DOTOQJQBSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001034395086 709932080 /nfs/dbraw/zinc/93/20/80/709932080.db2.gz UPROPAPEXXOTHN-DOTOQJQBSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034395086 709932084 /nfs/dbraw/zinc/93/20/84/709932084.db2.gz UPROPAPEXXOTHN-DOTOQJQBSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034395086 709932088 /nfs/dbraw/zinc/93/20/88/709932088.db2.gz UPROPAPEXXOTHN-DOTOQJQBSA-N 2 1 345.491 1.598 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3cncn3C)C2)C1 ZINC001034402679 709948576 /nfs/dbraw/zinc/94/85/76/709948576.db2.gz RVAAEFKXLGHHSM-CVEARBPZSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3cncn3C)C2)C1 ZINC001034402679 709948579 /nfs/dbraw/zinc/94/85/79/709948579.db2.gz RVAAEFKXLGHHSM-CVEARBPZSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](Cc3cncn3C)C2)C1 ZINC001034402679 709948581 /nfs/dbraw/zinc/94/85/81/709948581.db2.gz RVAAEFKXLGHHSM-CVEARBPZSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](Cc3cncn3C)C2)C1 ZINC001034402679 709948583 /nfs/dbraw/zinc/94/85/83/709948583.db2.gz RVAAEFKXLGHHSM-CVEARBPZSA-N 2 1 333.480 1.233 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001003161043 710070333 /nfs/dbraw/zinc/07/03/33/710070333.db2.gz RYTUOLVEOZBDBT-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001003161044 710070582 /nfs/dbraw/zinc/07/05/82/710070582.db2.gz RYTUOLVEOZBDBT-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP COc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)on1 ZINC001034491296 710111104 /nfs/dbraw/zinc/11/11/04/710111104.db2.gz QLNMFXOBMMMTMT-CQSZACIVSA-N 2 1 348.447 1.250 20 0 EDADMP COc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)on1 ZINC001034491296 710111106 /nfs/dbraw/zinc/11/11/06/710111106.db2.gz QLNMFXOBMMMTMT-CQSZACIVSA-N 2 1 348.447 1.250 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](CCn3cccn3)C2)C1 ZINC001034491370 710111772 /nfs/dbraw/zinc/11/17/72/710111772.db2.gz TVHDYSGOIOGUKG-SJORKVTESA-N 2 1 333.480 1.196 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@H+](CCn3cccn3)C2)C1 ZINC001034491370 710111775 /nfs/dbraw/zinc/11/17/75/710111775.db2.gz TVHDYSGOIOGUKG-SJORKVTESA-N 2 1 333.480 1.196 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@@H+](CCn3cccn3)C2)C1 ZINC001034491370 710111778 /nfs/dbraw/zinc/11/17/78/710111778.db2.gz TVHDYSGOIOGUKG-SJORKVTESA-N 2 1 333.480 1.196 20 0 EDADMP Cc1cncc(C[N@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001034485923 710132392 /nfs/dbraw/zinc/13/23/92/710132392.db2.gz HLCPUVZUMVIMND-GOSISDBHSA-N 2 1 342.487 1.957 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001032836963 710181408 /nfs/dbraw/zinc/18/14/08/710181408.db2.gz KQNLDELVEWRSEV-GUDVDZBRSA-N 2 1 345.487 1.785 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001032836963 710181410 /nfs/dbraw/zinc/18/14/10/710181410.db2.gz KQNLDELVEWRSEV-GUDVDZBRSA-N 2 1 345.487 1.785 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001032836963 710181411 /nfs/dbraw/zinc/18/14/11/710181411.db2.gz KQNLDELVEWRSEV-GUDVDZBRSA-N 2 1 345.487 1.785 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001003318570 710247295 /nfs/dbraw/zinc/24/72/95/710247295.db2.gz LPJIEDPHPCJNGB-JKSUJKDBSA-N 2 1 334.464 1.587 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001032838391 710279392 /nfs/dbraw/zinc/27/93/92/710279392.db2.gz QWOJMLFOJYPRHF-ZACQAIPSSA-N 2 1 335.423 1.144 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001032838391 710279394 /nfs/dbraw/zinc/27/93/94/710279394.db2.gz QWOJMLFOJYPRHF-ZACQAIPSSA-N 2 1 335.423 1.144 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001032838391 710279395 /nfs/dbraw/zinc/27/93/95/710279395.db2.gz QWOJMLFOJYPRHF-ZACQAIPSSA-N 2 1 335.423 1.144 20 0 EDADMP CCn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC001034610391 710284375 /nfs/dbraw/zinc/28/43/75/710284375.db2.gz NMPPQEMQOWUCKG-BZSNNMDCSA-N 2 1 347.507 1.557 20 0 EDADMP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001061763336 710296473 /nfs/dbraw/zinc/29/64/73/710296473.db2.gz IUVNBIGEJMDWDP-VNQPRFMTSA-N 2 1 331.464 1.376 20 0 EDADMP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001061763336 710296475 /nfs/dbraw/zinc/29/64/75/710296475.db2.gz IUVNBIGEJMDWDP-VNQPRFMTSA-N 2 1 331.464 1.376 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001003624859 710454242 /nfs/dbraw/zinc/45/42/42/710454242.db2.gz VLXNYUKFIWXMFJ-CYBMUJFWSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001003626921 710455593 /nfs/dbraw/zinc/45/55/93/710455593.db2.gz XMKQDRJWDARQNK-ZDUSSCGKSA-N 2 1 334.464 1.714 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001003636601 710456770 /nfs/dbraw/zinc/45/67/70/710456770.db2.gz WQGXTVABAIRPMA-DOMZBBRYSA-N 2 1 329.435 1.810 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCc2ccns2)CC1 ZINC001003636622 710456811 /nfs/dbraw/zinc/45/68/11/710456811.db2.gz WXVCTTXFFKOKRP-CZUORRHYSA-N 2 1 336.505 1.464 20 0 EDADMP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccns3)CC2)C1 ZINC001003629418 710459086 /nfs/dbraw/zinc/45/90/86/710459086.db2.gz AJXASDGCNHLWLX-UHFFFAOYSA-N 2 1 336.505 1.956 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccns3)CC2)C1 ZINC001003629418 710459087 /nfs/dbraw/zinc/45/90/87/710459087.db2.gz AJXASDGCNHLWLX-UHFFFAOYSA-N 2 1 336.505 1.956 20 0 EDADMP Cc1noc(CCC[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC001003628981 710459090 /nfs/dbraw/zinc/45/90/90/710459090.db2.gz VXTHZFUSOMUUNW-AWEZNQCLSA-N 2 1 349.479 1.376 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003631732 710460619 /nfs/dbraw/zinc/46/06/19/710460619.db2.gz UTUAUIXOCZWERY-OAHLLOKOSA-N 2 1 345.491 1.850 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003631732 710460620 /nfs/dbraw/zinc/46/06/20/710460620.db2.gz UTUAUIXOCZWERY-OAHLLOKOSA-N 2 1 345.491 1.850 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003631628 710460698 /nfs/dbraw/zinc/46/06/98/710460698.db2.gz ULNJQCSQRBKOEF-UHFFFAOYSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003631628 710460700 /nfs/dbraw/zinc/46/07/00/710460700.db2.gz ULNJQCSQRBKOEF-UHFFFAOYSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1noc(CCC[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001003633717 710461489 /nfs/dbraw/zinc/46/14/89/710461489.db2.gz HOWFFKKMJCQKSG-BBRMVZONSA-N 2 1 349.479 1.089 20 0 EDADMP CC[C@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1)OC ZINC001005592398 710639581 /nfs/dbraw/zinc/63/95/81/710639581.db2.gz LOYLDXRQHMZART-SJORKVTESA-N 2 1 325.497 1.819 20 0 EDADMP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001005590719 710646013 /nfs/dbraw/zinc/64/60/13/710646013.db2.gz DFHRDKJTLLOWTF-GOSISDBHSA-N 2 1 345.491 1.692 20 0 EDADMP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001005590719 710646017 /nfs/dbraw/zinc/64/60/17/710646017.db2.gz DFHRDKJTLLOWTF-GOSISDBHSA-N 2 1 345.491 1.692 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2cnccn2)CC1 ZINC001034693281 710783204 /nfs/dbraw/zinc/78/32/04/710783204.db2.gz WACQFWMSQZHKET-BZUAXINKSA-N 2 1 342.447 1.760 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](C)O)CC2)C1 ZINC001034711503 710867536 /nfs/dbraw/zinc/86/75/36/710867536.db2.gz BJUFOAFGRZAOOD-QBPKDAKJSA-N 2 1 325.497 1.506 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](C)O)CC1)CC2 ZINC001034719329 710884022 /nfs/dbraw/zinc/88/40/22/710884022.db2.gz SOUBQXVFEKGPJA-DTZQCDIJSA-N 2 1 334.464 1.152 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](C)O)CC1)C2 ZINC001034733820 710914516 /nfs/dbraw/zinc/91/45/16/710914516.db2.gz DMZLMTDVXMGDCA-TUUVXOQKSA-N 2 1 334.464 1.152 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)[nH]1 ZINC001034734086 710915480 /nfs/dbraw/zinc/91/54/80/710915480.db2.gz KDWZGVSAIGKFMW-RRCSTGOVSA-N 2 1 348.495 1.533 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034736926 710948030 /nfs/dbraw/zinc/94/80/30/710948030.db2.gz DPAZIXBMSFMJMU-DTZQCDIJSA-N 2 1 334.464 1.698 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](C)O)CC1 ZINC001034749236 710956563 /nfs/dbraw/zinc/95/65/63/710956563.db2.gz IVZSUBHINOEWGG-QBPKDAKJSA-N 2 1 325.497 1.647 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC001032960376 710969488 /nfs/dbraw/zinc/96/94/88/710969488.db2.gz ROAOEVZGBQKVEH-FUHWJXTLSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC001032960376 710969489 /nfs/dbraw/zinc/96/94/89/710969489.db2.gz ROAOEVZGBQKVEH-FUHWJXTLSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC001032960376 710969493 /nfs/dbraw/zinc/96/94/93/710969493.db2.gz ROAOEVZGBQKVEH-FUHWJXTLSA-N 2 1 349.450 1.831 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCCO3)CC2)C1 ZINC001034775469 711048535 /nfs/dbraw/zinc/04/85/35/711048535.db2.gz AHEPDKHEWPGPJQ-XLAORIBOSA-N 2 1 337.508 1.914 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001032980203 711104604 /nfs/dbraw/zinc/10/46/04/711104604.db2.gz KZDIAUOUJYYETM-ZBFHGGJFSA-N 2 1 337.489 1.154 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001032980203 711104606 /nfs/dbraw/zinc/10/46/06/711104606.db2.gz KZDIAUOUJYYETM-ZBFHGGJFSA-N 2 1 337.489 1.154 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCc2cccs2)C1 ZINC001032980203 711104607 /nfs/dbraw/zinc/10/46/07/711104607.db2.gz KZDIAUOUJYYETM-ZBFHGGJFSA-N 2 1 337.489 1.154 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCc2cccs2)C1 ZINC001032980203 711104609 /nfs/dbraw/zinc/10/46/09/711104609.db2.gz KZDIAUOUJYYETM-ZBFHGGJFSA-N 2 1 337.489 1.154 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC001034795254 711112906 /nfs/dbraw/zinc/11/29/06/711112906.db2.gz YGBHVHKFOLSCJF-HJWJTTGWSA-N 2 1 334.464 1.776 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001034791933 711117777 /nfs/dbraw/zinc/11/77/77/711117777.db2.gz YVFIMJLOLSALIT-RBSFLKMASA-N 2 1 348.495 1.397 20 0 EDADMP CCc1nnc([C@H](C)N2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001003970538 711119694 /nfs/dbraw/zinc/11/96/94/711119694.db2.gz JNIPNZZTDXRBNX-KBPBESRZSA-N 2 1 349.479 1.615 20 0 EDADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1csnn1 ZINC001034793212 711122648 /nfs/dbraw/zinc/12/26/48/711122648.db2.gz SPVZQZAQPBGHOB-AAVRWANBSA-N 2 1 337.493 1.568 20 0 EDADMP Cc1nocc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001034810216 711169935 /nfs/dbraw/zinc/16/99/35/711169935.db2.gz ALDSYYBFVQOMHW-GOSISDBHSA-N 2 1 342.443 1.983 20 0 EDADMP Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2)on1 ZINC001034810949 711172940 /nfs/dbraw/zinc/17/29/40/711172940.db2.gz ORIXEQGEVHUOEK-SFHVURJKSA-N 2 1 342.443 1.983 20 0 EDADMP Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2)on1 ZINC001034810949 711172943 /nfs/dbraw/zinc/17/29/43/711172943.db2.gz ORIXEQGEVHUOEK-SFHVURJKSA-N 2 1 342.443 1.983 20 0 EDADMP Cc1ncoc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001034935977 711364081 /nfs/dbraw/zinc/36/40/81/711364081.db2.gz FRGSKVKITLCLPV-HZPDHXFCSA-N 2 1 334.464 1.936 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001034935957 711364451 /nfs/dbraw/zinc/36/44/51/711364451.db2.gz FHSWSDWOVOEDMF-IAGOWNOFSA-N 2 1 333.480 1.374 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001034953688 711418569 /nfs/dbraw/zinc/41/85/69/711418569.db2.gz GNWDAUJZWSCFCQ-SJORKVTESA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001034953688 711418571 /nfs/dbraw/zinc/41/85/71/711418571.db2.gz GNWDAUJZWSCFCQ-SJORKVTESA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1C ZINC001034955558 711423414 /nfs/dbraw/zinc/42/34/14/711423414.db2.gz KEBYARHFHLNZBZ-MSOLQXFVSA-N 2 1 347.507 1.684 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001034958852 711432749 /nfs/dbraw/zinc/43/27/49/711432749.db2.gz MNDBQNYQCLSDMC-FUHWJXTLSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(Cl)n1C)C2 ZINC000922389798 711444698 /nfs/dbraw/zinc/44/46/98/711444698.db2.gz KJPXWNSQKZCDCD-BHTHQVBYSA-N 2 1 326.872 1.643 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(Cl)n1C)C2 ZINC000922389798 711444700 /nfs/dbraw/zinc/44/47/00/711444700.db2.gz KJPXWNSQKZCDCD-BHTHQVBYSA-N 2 1 326.872 1.643 20 0 EDADMP CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922386883 711448565 /nfs/dbraw/zinc/44/85/65/711448565.db2.gz JUGUDXAXBCBCLL-XSYGEPLQSA-N 2 1 345.487 1.616 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc4cnccn34)C2)[C@H]1C(C)C ZINC000922392119 711457484 /nfs/dbraw/zinc/45/74/84/711457484.db2.gz BMRGSDLTNJIKAM-PSBWJHGTSA-N 2 1 343.475 1.689 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3c4c(nn3C)CCC4)C2)[C@@H]1C(C)C ZINC000922394577 711461118 /nfs/dbraw/zinc/46/11/18/711461118.db2.gz OQQOLMZIBAFOTL-LMCOJAPRSA-N 2 1 346.519 1.868 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1F ZINC001004145915 711555835 /nfs/dbraw/zinc/55/58/35/711555835.db2.gz WRWPGBIFQFZBAG-HNNXBMFYSA-N 2 1 349.450 1.867 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC001004178949 711633841 /nfs/dbraw/zinc/63/38/41/711633841.db2.gz NMLGUYHFLKEPDG-GOSISDBHSA-N 2 1 349.450 1.627 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC001004178949 711633843 /nfs/dbraw/zinc/63/38/43/711633843.db2.gz NMLGUYHFLKEPDG-GOSISDBHSA-N 2 1 349.450 1.627 20 0 EDADMP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004472247 711848934 /nfs/dbraw/zinc/84/89/34/711848934.db2.gz FQUIJUKNZGSCPQ-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+](C)C1(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]3CC2)CCC1 ZINC000946623753 711924913 /nfs/dbraw/zinc/92/49/13/711924913.db2.gz PLNVWBDZTWXFFV-OKZBNKHCSA-N 2 1 349.519 1.678 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]2CC1)[NH+](C)C ZINC000946642300 712126067 /nfs/dbraw/zinc/12/60/67/712126067.db2.gz CVGRBOTVNWNGFF-HLLBOEOZSA-N 2 1 334.464 1.685 20 0 EDADMP CC[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1)OC ZINC000946677530 712369331 /nfs/dbraw/zinc/36/93/31/712369331.db2.gz DWQVNLFMEGBKJZ-FGTMMUONSA-N 2 1 348.491 1.787 20 0 EDADMP CC[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1)OC ZINC000946677530 712369334 /nfs/dbraw/zinc/36/93/34/712369334.db2.gz DWQVNLFMEGBKJZ-FGTMMUONSA-N 2 1 348.491 1.787 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H]2OCC[C@H]2C1)c1ccccc1 ZINC000369654945 282171261 /nfs/dbraw/zinc/17/12/61/282171261.db2.gz NDFAFSMYGDZXIR-OKZBNKHCSA-N 2 1 331.460 1.516 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000370135707 282192577 /nfs/dbraw/zinc/19/25/77/282192577.db2.gz IYACCQBAWRCGDV-JCECYMMASA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000558722705 306245884 /nfs/dbraw/zinc/24/58/84/306245884.db2.gz OIKMTBQXGQSMGE-XHSDSOJGSA-N 2 1 343.537 1.511 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000458497914 282274267 /nfs/dbraw/zinc/27/42/67/282274267.db2.gz HWQWKGDWYOABPF-HOCLYGCPSA-N 2 1 328.526 1.455 20 0 EDADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CC[NH+](C2CC2)CC1 ZINC000373372643 295721660 /nfs/dbraw/zinc/72/16/60/295721660.db2.gz IOQXXPSSHKMNOD-QZTJIDSGSA-N 2 1 335.492 1.620 20 0 EDADMP C[C@H]1CC2(C[N@H+]1CCN1C(=O)NC3(CCCC3)C1=O)CC[NH2+]CC2 ZINC000333550600 539633309 /nfs/dbraw/zinc/63/33/09/539633309.db2.gz JKGODBQLOOYJPI-AWEZNQCLSA-N 2 1 334.464 1.315 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166524997 539678260 /nfs/dbraw/zinc/67/82/60/539678260.db2.gz OYJZSRWCQDPWKM-LSDHHAIUSA-N 2 1 338.473 1.685 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166524997 539678264 /nfs/dbraw/zinc/67/82/64/539678264.db2.gz OYJZSRWCQDPWKM-LSDHHAIUSA-N 2 1 338.473 1.685 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339276886 539705423 /nfs/dbraw/zinc/70/54/23/539705423.db2.gz SPABQKFNSUNXDV-GOSISDBHSA-N 2 1 338.540 1.785 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339276886 539705427 /nfs/dbraw/zinc/70/54/27/539705427.db2.gz SPABQKFNSUNXDV-GOSISDBHSA-N 2 1 338.540 1.785 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339276886 539705429 /nfs/dbraw/zinc/70/54/29/539705429.db2.gz SPABQKFNSUNXDV-GOSISDBHSA-N 2 1 338.540 1.785 20 0 EDADMP CCC[C@@H]1CN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC[N@H+]1CCOC ZINC000649379025 452052443 /nfs/dbraw/zinc/05/24/43/452052443.db2.gz CDKQFYBZPFGYTG-BBWFWOEESA-N 2 1 325.497 1.853 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[N@@H+](C)C1 ZINC000344671168 539814351 /nfs/dbraw/zinc/81/43/51/539814351.db2.gz VLHQEYVQBIMPTE-ROUUACIJSA-N 2 1 349.475 1.352 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)Nc2cccc(OCCC[NH+](C)C)c2)[N@H+](C)C1 ZINC000347006643 539861712 /nfs/dbraw/zinc/86/17/12/539861712.db2.gz BXXHUCLSHNDARP-IRXDYDNUSA-N 2 1 335.448 1.675 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)Nc2cccc(OCCC[NH+](C)C)c2)[N@@H+](C)C1 ZINC000347006643 539861717 /nfs/dbraw/zinc/86/17/17/539861717.db2.gz BXXHUCLSHNDARP-IRXDYDNUSA-N 2 1 335.448 1.675 20 0 EDADMP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ncc[nH]1 ZINC000353655508 539936315 /nfs/dbraw/zinc/93/63/15/539936315.db2.gz PJYQBPLSYTUXGV-HOCLYGCPSA-N 2 1 329.448 1.349 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)CC1 ZINC000562950199 306313450 /nfs/dbraw/zinc/31/34/50/306313450.db2.gz CILINJMLUOVNNZ-INIZCTEOSA-N 2 1 347.507 1.542 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)CC1 ZINC000562950199 306313451 /nfs/dbraw/zinc/31/34/51/306313451.db2.gz CILINJMLUOVNNZ-INIZCTEOSA-N 2 1 347.507 1.542 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCC[NH3+] ZINC000563096663 306318621 /nfs/dbraw/zinc/31/86/21/306318621.db2.gz DZXWODNREHNUBA-UHFFFAOYSA-N 3 1 338.540 1.770 20 0 EDADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497029960 283065032 /nfs/dbraw/zinc/06/50/32/283065032.db2.gz UCESPPWEXPEOPQ-CVEARBPZSA-N 2 1 343.512 1.878 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497029960 283065034 /nfs/dbraw/zinc/06/50/34/283065034.db2.gz UCESPPWEXPEOPQ-CVEARBPZSA-N 2 1 343.512 1.878 20 0 EDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497029960 283065036 /nfs/dbraw/zinc/06/50/36/283065036.db2.gz UCESPPWEXPEOPQ-CVEARBPZSA-N 2 1 343.512 1.878 20 0 EDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497029960 283065037 /nfs/dbraw/zinc/06/50/37/283065037.db2.gz UCESPPWEXPEOPQ-CVEARBPZSA-N 2 1 343.512 1.878 20 0 EDADMP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000183444970 235081574 /nfs/dbraw/zinc/08/15/74/235081574.db2.gz ZOMCIUQFHIKPJN-LJQANCHMSA-N 2 1 345.487 1.654 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000563452887 306334180 /nfs/dbraw/zinc/33/41/80/306334180.db2.gz QCMHCLRVGVIFFR-RHSMWYFYSA-N 2 1 332.448 1.372 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000079067666 138260100 /nfs/dbraw/zinc/26/01/00/138260100.db2.gz CHASOYNNLVAEET-QGZVFWFLSA-N 2 1 340.512 1.663 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000079067666 138260101 /nfs/dbraw/zinc/26/01/01/138260101.db2.gz CHASOYNNLVAEET-QGZVFWFLSA-N 2 1 340.512 1.663 20 0 EDADMP CC[NH2+]CCCNC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563581179 306339663 /nfs/dbraw/zinc/33/96/63/306339663.db2.gz KMDAUEXHHMDBEX-FUHWJXTLSA-N 2 1 348.491 1.575 20 0 EDADMP CC[NH2+]CCCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563581179 306339664 /nfs/dbraw/zinc/33/96/64/306339664.db2.gz KMDAUEXHHMDBEX-FUHWJXTLSA-N 2 1 348.491 1.575 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000090656880 138280432 /nfs/dbraw/zinc/28/04/32/138280432.db2.gz ZLBITMWLSQVRRA-YESZJQIVSA-N 2 1 336.480 1.119 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000090656880 138280433 /nfs/dbraw/zinc/28/04/33/138280433.db2.gz ZLBITMWLSQVRRA-YESZJQIVSA-N 2 1 336.480 1.119 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000124460608 138326824 /nfs/dbraw/zinc/32/68/24/138326824.db2.gz IFNSXUWDRBIKIE-OAHLLOKOSA-N 2 1 346.479 1.066 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000124460608 138326825 /nfs/dbraw/zinc/32/68/25/138326825.db2.gz IFNSXUWDRBIKIE-OAHLLOKOSA-N 2 1 346.479 1.066 20 0 EDADMP CCOC[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125040294 138331629 /nfs/dbraw/zinc/33/16/29/138331629.db2.gz OFAGPSNJAZUCKE-INIZCTEOSA-N 2 1 349.475 1.862 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000564654633 306362313 /nfs/dbraw/zinc/36/23/13/306362313.db2.gz HNETYDVCPWZFCK-IEBWSBKVSA-N 2 1 328.460 1.506 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000377580801 291191973 /nfs/dbraw/zinc/19/19/73/291191973.db2.gz ARLNEBVLXNBYLD-BHIYHBOVSA-N 2 1 344.503 1.479 20 0 EDADMP CC(C)[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1)N1CC[NH+](C)CC1 ZINC000564938641 306370545 /nfs/dbraw/zinc/37/05/45/306370545.db2.gz RMWBONOYNHWRCO-SFHVURJKSA-N 2 1 347.507 1.217 20 0 EDADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000361502114 296035840 /nfs/dbraw/zinc/03/58/40/296035840.db2.gz VNDCNUSEXXFPAW-ZWKOTPCHSA-N 2 1 349.519 1.822 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000414184914 304104827 /nfs/dbraw/zinc/10/48/27/304104827.db2.gz GAPSMXNZVZGNSS-ZWKOTPCHSA-N 3 1 338.540 1.103 20 0 EDADMP CCN1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000414184914 304104829 /nfs/dbraw/zinc/10/48/29/304104829.db2.gz GAPSMXNZVZGNSS-ZWKOTPCHSA-N 2 1 338.540 1.103 20 0 EDADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000565639447 306388337 /nfs/dbraw/zinc/38/83/37/306388337.db2.gz RPPRDGNMEYMRNA-FUHWJXTLSA-N 2 1 337.508 1.604 20 0 EDADMP O=C(NC[C@H]1CCCC[NH+]1CCO)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000565639447 306388338 /nfs/dbraw/zinc/38/83/38/306388338.db2.gz RPPRDGNMEYMRNA-FUHWJXTLSA-N 2 1 337.508 1.604 20 0 EDADMP O=C(NC[C@H]1CCCC[NH+]1CCO)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000565639447 306388339 /nfs/dbraw/zinc/38/83/39/306388339.db2.gz RPPRDGNMEYMRNA-FUHWJXTLSA-N 2 1 337.508 1.604 20 0 EDADMP CC(C)N1CC[NH+](CCCN(CC[NH+](C)C)Cc2ccccn2)CC1 ZINC000566093095 306398720 /nfs/dbraw/zinc/39/87/20/306398720.db2.gz ORJALUCIMXYOFF-UHFFFAOYSA-N 2 1 347.551 1.861 20 0 EDADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000566233787 306405238 /nfs/dbraw/zinc/40/52/38/306405238.db2.gz NJPSLMCLLVPHSN-QZTJIDSGSA-N 2 1 330.428 1.263 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000414704302 304130278 /nfs/dbraw/zinc/13/02/78/304130278.db2.gz MVXRDHVNBQGUPD-IAGOWNOFSA-N 2 1 344.459 1.478 20 0 EDADMP COc1cc(C[N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc(OC)c1 ZINC000414710744 304131379 /nfs/dbraw/zinc/13/13/79/304131379.db2.gz SLZQVUCHLMXBPO-CQSZACIVSA-N 2 1 335.448 1.333 20 0 EDADMP C[C@@H]1C[C@H](C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414722604 304132880 /nfs/dbraw/zinc/13/28/80/304132880.db2.gz MUSPXAZIYJRCCI-ZACQAIPSSA-N 3 1 331.508 1.752 20 0 EDADMP C[C@@H]1C[C@H](CN(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414722604 304132882 /nfs/dbraw/zinc/13/28/82/304132882.db2.gz MUSPXAZIYJRCCI-ZACQAIPSSA-N 2 1 331.508 1.752 20 0 EDADMP CCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]CC)CC1 ZINC000414741904 304135756 /nfs/dbraw/zinc/13/57/56/304135756.db2.gz LFWMWQIRLWGFQH-UHFFFAOYSA-N 2 1 332.448 1.289 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000414748220 304136649 /nfs/dbraw/zinc/13/66/49/304136649.db2.gz WIOGNEXRBUYRDQ-ZDUSSCGKSA-N 2 1 348.422 1.010 20 0 EDADMP Cc1cc(C)n2c(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)cnc2n1 ZINC000414771760 304138819 /nfs/dbraw/zinc/13/88/19/304138819.db2.gz AMJNFRGEJCYHLZ-OAHLLOKOSA-N 2 1 329.448 1.533 20 0 EDADMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414797936 304142082 /nfs/dbraw/zinc/14/20/82/304142082.db2.gz WXXAFMNHXKMLLD-RDTXWAMCSA-N 2 1 341.459 1.730 20 0 EDADMP CCOC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000414999506 304149581 /nfs/dbraw/zinc/14/95/81/304149581.db2.gz JEEUDGFIRHKLTB-AWEZNQCLSA-N 2 1 342.386 1.963 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000414996695 304149359 /nfs/dbraw/zinc/14/93/59/304149359.db2.gz XPYPYIMAGFZDTB-CABCVRRESA-N 2 1 346.475 1.739 20 0 EDADMP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)C[C@@H](O)C[NH3+])c2)cc1 ZINC000415066461 304156242 /nfs/dbraw/zinc/15/62/42/304156242.db2.gz IRZFRWDWIDOQDH-KRWDZBQOSA-N 2 1 343.427 1.699 20 0 EDADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c2)cc1 ZINC000415066461 304156244 /nfs/dbraw/zinc/15/62/44/304156244.db2.gz IRZFRWDWIDOQDH-KRWDZBQOSA-N 2 1 343.427 1.699 20 0 EDADMP CC(C)C[C@H]([NH3+])CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000415092976 304159257 /nfs/dbraw/zinc/15/92/57/304159257.db2.gz UOKLKHOBXLWTHO-OALUTQOASA-N 2 1 346.519 1.847 20 0 EDADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000415092976 304159258 /nfs/dbraw/zinc/15/92/58/304159258.db2.gz UOKLKHOBXLWTHO-OALUTQOASA-N 3 1 346.519 1.847 20 0 EDADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000415092976 304159259 /nfs/dbraw/zinc/15/92/59/304159259.db2.gz UOKLKHOBXLWTHO-OALUTQOASA-N 3 1 346.519 1.847 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000415100227 304160169 /nfs/dbraw/zinc/16/01/69/304160169.db2.gz ALZIDRQGJOAEGE-SFHVURJKSA-N 3 1 332.492 1.378 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000107368221 204233437 /nfs/dbraw/zinc/23/34/37/204233437.db2.gz YJVFWMPLWMPPMU-SFHVURJKSA-N 2 1 348.466 1.866 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3)C2)CC1 ZINC000107370332 204235814 /nfs/dbraw/zinc/23/58/14/204235814.db2.gz VKMCCHLWGHUSRH-GOSISDBHSA-N 2 1 330.476 1.727 20 0 EDADMP Cc1cccc2ncc(C[N@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)n21 ZINC000415132115 304162553 /nfs/dbraw/zinc/16/25/53/304162553.db2.gz AFNGQUNPMMMBSM-SJORKVTESA-N 2 1 326.444 1.843 20 0 EDADMP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236646444 139027554 /nfs/dbraw/zinc/02/75/54/139027554.db2.gz FXQGMMODCSHRQL-HKUYNNGSSA-N 2 1 333.476 1.767 20 0 EDADMP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236646444 139027555 /nfs/dbraw/zinc/02/75/55/139027555.db2.gz FXQGMMODCSHRQL-HKUYNNGSSA-N 2 1 333.476 1.767 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)C1 ZINC000236777477 139030966 /nfs/dbraw/zinc/03/09/66/139030966.db2.gz SCUDKURVANGJBD-WBVHZDCISA-N 2 1 325.497 1.485 20 0 EDADMP CCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000236946455 139035918 /nfs/dbraw/zinc/03/59/18/139035918.db2.gz LVCDIUMYHFRQSO-IRXDYDNUSA-N 2 1 346.475 1.919 20 0 EDADMP COCC[NH2+]CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000237196363 139043801 /nfs/dbraw/zinc/04/38/01/139043801.db2.gz XFRXVJFHNZQXLS-CJNGLKHVSA-N 2 1 325.478 1.483 20 0 EDADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1CCOC1 ZINC000156898908 205137674 /nfs/dbraw/zinc/13/76/74/205137674.db2.gz AWHPUKFOJFCJOO-SNRMKQJTSA-N 2 1 345.487 1.899 20 0 EDADMP C[C@H](C(=O)N1CCC(C[NH3+])CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237441616 139051235 /nfs/dbraw/zinc/05/12/35/139051235.db2.gz RHUNYLHMMGFDBP-OAHLLOKOSA-N 2 1 348.466 1.534 20 0 EDADMP CN(C)[C@@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccco1 ZINC000133555311 205370871 /nfs/dbraw/zinc/37/08/71/205370871.db2.gz RIWLCDQIFXMEPT-INIZCTEOSA-N 2 1 344.463 1.214 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000134019125 205389363 /nfs/dbraw/zinc/38/93/63/205389363.db2.gz YOWJSHQXEKLXPG-QZTJIDSGSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000237607414 139055596 /nfs/dbraw/zinc/05/55/96/139055596.db2.gz KOYKBAWSIZVNSP-NUIAMIPMSA-N 2 1 337.508 1.913 20 0 EDADMP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237907591 139063541 /nfs/dbraw/zinc/06/35/41/139063541.db2.gz JYUNNFHYTCPZGK-MSOLQXFVSA-N 2 1 331.460 1.536 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000415246260 304178081 /nfs/dbraw/zinc/17/80/81/304178081.db2.gz RANJCZBIXLYKDW-LJQANCHMSA-N 2 1 344.459 1.289 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000245933444 139090366 /nfs/dbraw/zinc/09/03/66/139090366.db2.gz VEGFOKQOJDSCJQ-SQNIBIBYSA-N 2 1 325.497 1.017 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000415286897 304185867 /nfs/dbraw/zinc/18/58/67/304185867.db2.gz VCALUCMKJHGUEX-ZDUSSCGKSA-N 2 1 329.404 1.039 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246746351 139119884 /nfs/dbraw/zinc/11/98/84/139119884.db2.gz LDJUCYICVWACSH-NVXWUHKLSA-N 2 1 338.496 1.271 20 0 EDADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000247022940 139131697 /nfs/dbraw/zinc/13/16/97/139131697.db2.gz WLPSYESYULBANU-RBUKOAKNSA-N 2 1 345.487 1.688 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000247022940 139131698 /nfs/dbraw/zinc/13/16/98/139131698.db2.gz WLPSYESYULBANU-RBUKOAKNSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000247022940 139131699 /nfs/dbraw/zinc/13/16/99/139131699.db2.gz WLPSYESYULBANU-RBUKOAKNSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000247022940 139131700 /nfs/dbraw/zinc/13/17/00/139131700.db2.gz WLPSYESYULBANU-RBUKOAKNSA-N 2 1 345.487 1.688 20 0 EDADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000247448501 139148977 /nfs/dbraw/zinc/14/89/77/139148977.db2.gz YTEQKNNKQIQOCZ-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000247448501 139148978 /nfs/dbraw/zinc/14/89/78/139148978.db2.gz YTEQKNNKQIQOCZ-DLBZAZTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000247429897 139148344 /nfs/dbraw/zinc/14/83/44/139148344.db2.gz OPJNPRZSVNOCHA-NVXWUHKLSA-N 2 1 345.491 1.246 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000247586575 139152793 /nfs/dbraw/zinc/15/27/93/139152793.db2.gz MIFPHIDJPIEZSX-UXHICEINSA-N 2 1 331.504 1.692 20 0 EDADMP CCN(C(=O)[C@H]1CN(C)CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248759844 139174492 /nfs/dbraw/zinc/17/44/92/139174492.db2.gz XPTWXRKJNHYNLG-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](CO)C1 ZINC000249303167 139191085 /nfs/dbraw/zinc/19/10/85/139191085.db2.gz FHPOUSXNCPHWQA-QRQLOZEOSA-N 2 1 345.487 1.470 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000410889190 250395292 /nfs/dbraw/zinc/39/52/92/250395292.db2.gz YDCYCSBOQSRWTK-INIZCTEOSA-N 2 1 340.512 1.118 20 0 EDADMP C[C@H](NC(=O)C1([NH3+])CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261544001 139208633 /nfs/dbraw/zinc/20/86/33/139208633.db2.gz DLGPPGRXLXABNL-RDJZCZTQSA-N 2 1 331.460 1.521 20 0 EDADMP CCc1noc([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261673154 139216160 /nfs/dbraw/zinc/21/61/60/139216160.db2.gz BZXDGVUQIRHPLR-BFHYXJOUSA-N 2 1 335.452 1.273 20 0 EDADMP CCc1noc([C@H](C)[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261673154 139216161 /nfs/dbraw/zinc/21/61/61/139216161.db2.gz BZXDGVUQIRHPLR-BFHYXJOUSA-N 2 1 335.452 1.273 20 0 EDADMP c1cc(-c2noc(C[C@H]3CC[NH2+]C3)n2)ccc1C[NH+]1CCOCC1 ZINC000261699659 139218747 /nfs/dbraw/zinc/21/87/47/139218747.db2.gz HZSRRRMRZZDLHC-OAHLLOKOSA-N 2 1 328.416 1.721 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1F ZINC000261738335 139222028 /nfs/dbraw/zinc/22/20/28/139222028.db2.gz DGTGXSGMYSNNOD-CJNGLKHVSA-N 2 1 332.379 1.442 20 0 EDADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)co2)cc1 ZINC000261739469 139222101 /nfs/dbraw/zinc/22/21/01/139222101.db2.gz SOVKCOSECPYXDQ-MRXNPFEDSA-N 2 1 342.443 1.937 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000261786789 139226047 /nfs/dbraw/zinc/22/60/47/139226047.db2.gz YMCXOXPBDGXCSB-HNNXBMFYSA-N 2 1 328.416 1.629 20 0 EDADMP O=C(COc1ccccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NCC1CC1 ZINC000261925839 139237638 /nfs/dbraw/zinc/23/76/38/139237638.db2.gz CEAZURVVWIKISI-FQEVSTJZSA-N 2 1 343.471 1.777 20 0 EDADMP O=C(COc1ccccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NCC1CC1 ZINC000261925839 139237639 /nfs/dbraw/zinc/23/76/39/139237639.db2.gz CEAZURVVWIKISI-FQEVSTJZSA-N 2 1 343.471 1.777 20 0 EDADMP CN(CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000261916509 139236671 /nfs/dbraw/zinc/23/66/71/139236671.db2.gz UNAMMNBCARFGCR-MJGOQNOKSA-N 2 1 344.503 1.703 20 0 EDADMP c1cn(-c2ncccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cn1 ZINC000261991369 139242228 /nfs/dbraw/zinc/24/22/28/139242228.db2.gz SSSQPQYRKKFUGM-BRWVUGGUSA-N 2 1 327.432 1.514 20 0 EDADMP O=C(COc1ccccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCCC1 ZINC000262051084 139246782 /nfs/dbraw/zinc/24/67/82/139246782.db2.gz QGASAJFJDZSQON-FQEVSTJZSA-N 2 1 343.471 1.873 20 0 EDADMP O=C(COc1ccccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCCC1 ZINC000262051084 139246783 /nfs/dbraw/zinc/24/67/83/139246783.db2.gz QGASAJFJDZSQON-FQEVSTJZSA-N 2 1 343.471 1.873 20 0 EDADMP COc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc2c1OCO2 ZINC000262086795 139249845 /nfs/dbraw/zinc/24/98/45/139249845.db2.gz ULTVGAZKORCVIS-AWEZNQCLSA-N 2 1 349.431 1.243 20 0 EDADMP COc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc2c1OCO2 ZINC000262086795 139249846 /nfs/dbraw/zinc/24/98/46/139249846.db2.gz ULTVGAZKORCVIS-AWEZNQCLSA-N 2 1 349.431 1.243 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174261174 207004810 /nfs/dbraw/zinc/00/48/10/207004810.db2.gz OAGOCHGBXKNSAQ-MRXNPFEDSA-N 2 1 346.500 1.762 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174261174 207004813 /nfs/dbraw/zinc/00/48/13/207004813.db2.gz OAGOCHGBXKNSAQ-MRXNPFEDSA-N 2 1 346.500 1.762 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCOC(=O)NC(N)=O)C1 ZINC000121075282 296313248 /nfs/dbraw/zinc/31/32/48/296313248.db2.gz WHSAHUGRIQXPCY-HUUCEWRRSA-N 2 1 340.468 1.768 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCOC(=O)NC(N)=O)C1 ZINC000121075282 296313249 /nfs/dbraw/zinc/31/32/49/296313249.db2.gz WHSAHUGRIQXPCY-HUUCEWRRSA-N 2 1 340.468 1.768 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCOC(=O)NC(N)=O)C1 ZINC000121075282 296313250 /nfs/dbraw/zinc/31/32/50/296313250.db2.gz WHSAHUGRIQXPCY-HUUCEWRRSA-N 2 1 340.468 1.768 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCOC(=O)NC(N)=O)C1 ZINC000121075282 296313251 /nfs/dbraw/zinc/31/32/51/296313251.db2.gz WHSAHUGRIQXPCY-HUUCEWRRSA-N 2 1 340.468 1.768 20 0 EDADMP C[C@@H]1SCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000262246268 139263138 /nfs/dbraw/zinc/26/31/38/139263138.db2.gz WNSOJUVYBWBBMJ-MAUKXSAKSA-N 2 1 333.501 1.987 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000417307556 251153993 /nfs/dbraw/zinc/15/39/93/251153993.db2.gz BXAWHJRTIWUIFF-OAGGEKHMSA-N 2 1 330.476 1.812 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000262342527 139271610 /nfs/dbraw/zinc/27/16/10/139271610.db2.gz IBOGSTXARHPWOX-VQIMIIECSA-N 2 1 345.487 1.913 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000417497139 251180654 /nfs/dbraw/zinc/18/06/54/251180654.db2.gz AJXMCFDMUAIGLE-MRXNPFEDSA-N 2 1 336.480 1.733 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000417495831 251179734 /nfs/dbraw/zinc/17/97/34/251179734.db2.gz VAXZAPVCLGDZDV-XDNAFOTISA-N 2 1 346.475 1.213 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000262377264 139274450 /nfs/dbraw/zinc/27/44/50/139274450.db2.gz KWLGDUHAHYSGBY-HOTGVXAUSA-N 2 1 348.466 1.452 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000417647079 251212256 /nfs/dbraw/zinc/21/22/56/251212256.db2.gz DYALWVGJSJHMJP-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000417666486 251219923 /nfs/dbraw/zinc/21/99/23/251219923.db2.gz CXSHVESZJKBTPR-ARFHVFGLSA-N 2 1 326.485 1.256 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417615922 251207042 /nfs/dbraw/zinc/20/70/42/251207042.db2.gz YJJWWLONVAQVEJ-SJORKVTESA-N 2 1 340.512 1.646 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C2(COC)CC[NH2+]CC2)C1 ZINC000262416919 139277650 /nfs/dbraw/zinc/27/76/50/139277650.db2.gz UCTTZNPHFAYFTQ-HNNXBMFYSA-N 2 1 334.464 1.625 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC[NH2+]1 ZINC000262432987 139278707 /nfs/dbraw/zinc/27/87/07/139278707.db2.gz RUHVIFHEASYMSL-BXWFABGCSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC[NH2+]1 ZINC000262432987 139278708 /nfs/dbraw/zinc/27/87/08/139278708.db2.gz RUHVIFHEASYMSL-BXWFABGCSA-N 2 1 345.487 1.912 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)CC2)[nH+]1 ZINC000417708060 251237478 /nfs/dbraw/zinc/23/74/78/251237478.db2.gz YBHOFCLXYPVULY-XIRDDKMYSA-N 2 1 343.475 1.738 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH2+]C)[C@H](C)C1 ZINC000417667206 251221348 /nfs/dbraw/zinc/22/13/48/251221348.db2.gz GFFMQRCUMKLVAQ-IKGGRYGDSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NC2CCC([NH3+])CC2)[C@H](C)C1 ZINC000417669581 251221599 /nfs/dbraw/zinc/22/15/99/251221599.db2.gz LXGWSOLOFODBFZ-RDHHWEPZSA-N 2 1 340.512 1.693 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NC2(C)CC[NH2+]CC2)[C@H](C)C1 ZINC000417672276 251222389 /nfs/dbraw/zinc/22/23/89/251222389.db2.gz SFJBGXJCXXEKLV-HZPDHXFCSA-N 2 1 340.512 1.565 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000417719049 251240734 /nfs/dbraw/zinc/24/07/34/251240734.db2.gz WERDMSCPIYJCEP-NVXWUHKLSA-N 2 1 334.464 1.269 20 0 EDADMP CCC[NH2+]CCNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417725418 251244213 /nfs/dbraw/zinc/24/42/13/251244213.db2.gz FXMOPGMCRASGMJ-QGZVFWFLSA-N 2 1 347.507 1.496 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)[nH+]c1 ZINC000417732837 251246827 /nfs/dbraw/zinc/24/68/27/251246827.db2.gz PLAXTQQBCBOLOH-ZBFHGGJFSA-N 2 1 331.464 1.799 20 0 EDADMP C[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)CN1CC[NH+](C)CC1 ZINC000417753044 251255905 /nfs/dbraw/zinc/25/59/05/251255905.db2.gz NVIGWSJWKRWQIB-CVEARBPZSA-N 2 1 347.507 1.389 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418108182 251324308 /nfs/dbraw/zinc/32/43/08/251324308.db2.gz AOJGHPVTSQPPIS-JKSUJKDBSA-N 2 1 340.512 1.565 20 0 EDADMP C[C@]1(C[NH3+])CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418110686 251325740 /nfs/dbraw/zinc/32/57/40/251325740.db2.gz WPPZFASJZWDIPE-PKOBYXMFSA-N 2 1 330.476 1.889 20 0 EDADMP C[C@H]1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000418112122 251327452 /nfs/dbraw/zinc/32/74/52/251327452.db2.gz HUYJUCGYOMSUBH-ARFHVFGLSA-N 2 1 326.485 1.114 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000418428794 251368380 /nfs/dbraw/zinc/36/83/80/251368380.db2.gz MYASEPUFAUHLMZ-DJIMGWMZSA-N 2 1 332.448 1.049 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000418435238 251370973 /nfs/dbraw/zinc/37/09/73/251370973.db2.gz AMAIBAAEFKMWMY-ZBFHGGJFSA-N 2 1 334.464 1.869 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)C[NH2+]C ZINC000418382895 251364408 /nfs/dbraw/zinc/36/44/08/251364408.db2.gz IZJDSWJKZKKGDS-WMZOPIPTSA-N 2 1 347.507 1.933 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc2)CC1 ZINC000262657723 139293739 /nfs/dbraw/zinc/29/37/39/139293739.db2.gz VGSKEHIADJIDEI-QGZVFWFLSA-N 2 1 332.492 1.424 20 0 EDADMP C[C@H]1[NH2+]CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000262729646 139299442 /nfs/dbraw/zinc/29/94/42/139299442.db2.gz BFCJTAJRZBGIJX-SJORKVTESA-N 2 1 330.476 1.013 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+][C@H](C)[C@H]3C)cc2F)CC1 ZINC000262718471 139298704 /nfs/dbraw/zinc/29/87/04/139298704.db2.gz FCQVVPIHUQBUFX-HUUCEWRRSA-N 2 1 348.466 1.790 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N[C@H]3C[NH2+]CC[C@H]3C)C2)cc(OC)c1 ZINC000422860346 252001324 /nfs/dbraw/zinc/00/13/24/252001324.db2.gz IDBQAUYTYWJWPZ-ALKREAHSSA-N 2 1 333.476 1.866 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N[C@H]3C[NH2+]CC[C@H]3C)C2)cc(OC)c1 ZINC000422860346 252001327 /nfs/dbraw/zinc/00/13/27/252001327.db2.gz IDBQAUYTYWJWPZ-ALKREAHSSA-N 2 1 333.476 1.866 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000423782680 252071438 /nfs/dbraw/zinc/07/14/38/252071438.db2.gz IZSMALAHWIHFBJ-HRCADAONSA-N 2 1 339.480 1.380 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]CC1([NH3+])CCCCC1 ZINC000423175078 252042423 /nfs/dbraw/zinc/04/24/23/252042423.db2.gz CVVSVMKAUCHHDZ-INIZCTEOSA-N 2 1 337.489 1.963 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]CC1([NH3+])CCCCC1 ZINC000423175079 252043058 /nfs/dbraw/zinc/04/30/58/252043058.db2.gz CVVSVMKAUCHHDZ-MRXNPFEDSA-N 2 1 337.489 1.963 20 0 EDADMP C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000423781335 252069955 /nfs/dbraw/zinc/06/99/55/252069955.db2.gz XGBFMXNLMILAAJ-CYBMUJFWSA-N 2 1 347.488 1.752 20 0 EDADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000423959813 252108995 /nfs/dbraw/zinc/10/89/95/252108995.db2.gz XTJHDQZQSPHEQU-ZGUYJTEBSA-N 2 1 336.524 1.617 20 0 EDADMP O=C(c1ccoc1)N1CCC([NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424365737 252200983 /nfs/dbraw/zinc/20/09/83/252200983.db2.gz HTZOVTQBHPXYTB-CYBMUJFWSA-N 2 1 327.375 1.719 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424471919 252243230 /nfs/dbraw/zinc/24/32/30/252243230.db2.gz DMIPICLIBWNVIW-QXCFHYIPSA-N 2 1 342.487 1.900 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000424472379 252244692 /nfs/dbraw/zinc/24/46/92/252244692.db2.gz UYHBSLLGUSERKQ-MRXNPFEDSA-N 2 1 346.475 1.629 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417568823 285032950 /nfs/dbraw/zinc/03/29/50/285032950.db2.gz PLQUKRUHIRPXJZ-KRWDZBQOSA-N 2 1 334.464 1.268 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000377854738 296362409 /nfs/dbraw/zinc/36/24/09/296362409.db2.gz GXFWFJMITCPDRB-OAGGEKHMSA-N 2 1 346.475 1.267 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000377854738 296362410 /nfs/dbraw/zinc/36/24/10/296362410.db2.gz GXFWFJMITCPDRB-OAGGEKHMSA-N 2 1 346.475 1.267 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000377854738 296362411 /nfs/dbraw/zinc/36/24/11/296362411.db2.gz GXFWFJMITCPDRB-OAGGEKHMSA-N 2 1 346.475 1.267 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000377854738 296362412 /nfs/dbraw/zinc/36/24/12/296362412.db2.gz GXFWFJMITCPDRB-OAGGEKHMSA-N 2 1 346.475 1.267 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccnn1C(C)C)C2 ZINC000112539952 220344744 /nfs/dbraw/zinc/34/47/44/220344744.db2.gz OEXJTISBKYGEBS-KBPBESRZSA-N 2 1 330.436 1.901 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](OC)C(C)C ZINC000342253525 285244327 /nfs/dbraw/zinc/24/43/27/285244327.db2.gz UURFBZAKBFWQQR-IAGOWNOFSA-N 2 1 342.528 1.715 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn2c1CCCC2 ZINC000372155505 285250320 /nfs/dbraw/zinc/25/03/20/285250320.db2.gz FVXWBMPEAQUFTE-MRXNPFEDSA-N 2 1 347.507 1.708 20 0 EDADMP COc1cc(C)cnc1C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000490034841 255076037 /nfs/dbraw/zinc/07/60/37/255076037.db2.gz OTSGNGRNUUGQPV-UHFFFAOYSA-N 2 1 334.464 1.497 20 0 EDADMP COc1cc(C)cnc1C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000490034841 255076038 /nfs/dbraw/zinc/07/60/38/255076038.db2.gz OTSGNGRNUUGQPV-UHFFFAOYSA-N 2 1 334.464 1.497 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CCOC ZINC000341054160 285278707 /nfs/dbraw/zinc/27/87/07/285278707.db2.gz NKKJIWKISQBULK-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416213586 304296351 /nfs/dbraw/zinc/29/63/51/304296351.db2.gz HTZZVJFDZOICOT-WMZOPIPTSA-N 2 1 333.476 1.595 20 0 EDADMP C[NH+](C/C=C/C[N@@H+](C)CCCn1ccnc1)CCCn1ccnc1 ZINC000271690702 140334610 /nfs/dbraw/zinc/33/46/10/140334610.db2.gz LPRLADYYVIXBLU-ONEGZZNKSA-N 2 1 330.480 1.980 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)[C@H](C)C1 ZINC000331475132 141035457 /nfs/dbraw/zinc/03/54/57/141035457.db2.gz CZGXOGVMABWMGU-PMPSAXMXSA-N 2 1 333.480 1.069 20 0 EDADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1C ZINC000331657198 141063130 /nfs/dbraw/zinc/06/31/30/141063130.db2.gz MHOBKUCJSUSTEP-WBVHZDCISA-N 2 1 335.448 1.279 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333123068 141267691 /nfs/dbraw/zinc/26/76/91/141267691.db2.gz ASIMQTWSLJHAQG-VZEFYGNVSA-N 2 1 336.480 1.007 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333704609 141362265 /nfs/dbraw/zinc/36/22/65/141362265.db2.gz DTFOLHIJYMENSG-NUEKZKHPSA-N 2 1 348.516 1.794 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333704609 141362266 /nfs/dbraw/zinc/36/22/66/141362266.db2.gz DTFOLHIJYMENSG-NUEKZKHPSA-N 2 1 348.516 1.794 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333785198 141381267 /nfs/dbraw/zinc/38/12/67/141381267.db2.gz LOKUUJFFTCXDNQ-ROUUACIJSA-N 2 1 343.475 1.754 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333785198 141381268 /nfs/dbraw/zinc/38/12/68/141381268.db2.gz LOKUUJFFTCXDNQ-ROUUACIJSA-N 2 1 343.475 1.754 20 0 EDADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000339610745 142092538 /nfs/dbraw/zinc/09/25/38/142092538.db2.gz GVSPXRWOGHIWEU-INIZCTEOSA-N 2 1 340.512 1.020 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000339610745 142092539 /nfs/dbraw/zinc/09/25/39/142092539.db2.gz GVSPXRWOGHIWEU-INIZCTEOSA-N 2 1 340.512 1.020 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2CC1)[NH+]1CCOCC1 ZINC000340144552 142281493 /nfs/dbraw/zinc/28/14/93/142281493.db2.gz ZPAYGTFVIINNDU-KZNAEPCWSA-N 2 1 337.508 1.581 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000345737947 143127344 /nfs/dbraw/zinc/12/73/44/143127344.db2.gz FPPOWQMHPQMNHB-HUUCEWRRSA-N 2 1 326.485 1.004 20 0 EDADMP COC(=O)c1coc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000346662200 143228300 /nfs/dbraw/zinc/22/83/00/143228300.db2.gz BMZZSUBIZXDNAT-CJNGLKHVSA-N 2 1 349.431 1.146 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000347056452 143277282 /nfs/dbraw/zinc/27/72/82/143277282.db2.gz VIOTUIOBUSPYKN-GOSISDBHSA-N 2 1 341.459 1.218 20 0 EDADMP CC(C)c1nc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000347086936 143281129 /nfs/dbraw/zinc/28/11/29/143281129.db2.gz DFXWTJWIVSWVAN-CQSZACIVSA-N 2 1 336.505 1.910 20 0 EDADMP CC(C)c1nc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000347086936 143281130 /nfs/dbraw/zinc/28/11/30/143281130.db2.gz DFXWTJWIVSWVAN-CQSZACIVSA-N 2 1 336.505 1.910 20 0 EDADMP COc1ccc(C)cc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347127153 143285598 /nfs/dbraw/zinc/28/55/98/143285598.db2.gz YPHRJIJOFARUFN-MRXNPFEDSA-N 2 1 331.460 1.647 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCCCCn2cc[nH+]c2C)[N@H+](C)C1 ZINC000347516516 143331196 /nfs/dbraw/zinc/33/11/96/143331196.db2.gz OVHRZEXDHQSDRQ-JKSUJKDBSA-N 2 1 337.468 1.332 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCCCCn2cc[nH+]c2C)[N@@H+](C)C1 ZINC000347516516 143331197 /nfs/dbraw/zinc/33/11/97/143331197.db2.gz OVHRZEXDHQSDRQ-JKSUJKDBSA-N 2 1 337.468 1.332 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000369791075 155179123 /nfs/dbraw/zinc/17/91/23/155179123.db2.gz PTRCBNHHXXRFCJ-UHFFFAOYSA-N 2 1 348.491 1.378 20 0 EDADMP CCOC1CC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)(N2CCOCC2)C1 ZINC000248994853 286012652 /nfs/dbraw/zinc/01/26/52/286012652.db2.gz OQLVBBQTSORKGJ-SMVLHYPJSA-N 2 1 337.508 1.473 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000416842859 304351065 /nfs/dbraw/zinc/35/10/65/304351065.db2.gz NRTVYDBHRGLNRL-OKZBNKHCSA-N 2 1 346.475 1.409 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000416843313 304351115 /nfs/dbraw/zinc/35/11/15/304351115.db2.gz OKUAVWLGDZNIKZ-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000416867480 304353070 /nfs/dbraw/zinc/35/30/70/304353070.db2.gz LIWQMJZGDGEOHH-ARFHVFGLSA-N 2 1 326.485 1.160 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCSCC1)[N@@H+]1CCCC[C@@H]1C ZINC000352657160 149103908 /nfs/dbraw/zinc/10/39/08/149103908.db2.gz SPWLJUKVFIOJLW-GJZGRUSLSA-N 2 1 328.526 1.597 20 0 EDADMP C[C@@H](CNC(=O)NCC[NH+]1CCSCC1)[N@H+]1CCCC[C@@H]1C ZINC000352657160 149103910 /nfs/dbraw/zinc/10/39/10/149103910.db2.gz SPWLJUKVFIOJLW-GJZGRUSLSA-N 2 1 328.526 1.597 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000352719432 149127664 /nfs/dbraw/zinc/12/76/64/149127664.db2.gz KEUGAPZDRUFHEF-UHFFFAOYSA-N 2 1 340.512 1.663 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000352929621 149219141 /nfs/dbraw/zinc/21/91/41/149219141.db2.gz HORDLRPMDCOVRC-SJORKVTESA-N 2 1 340.512 1.349 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000352929621 149219143 /nfs/dbraw/zinc/21/91/43/149219143.db2.gz HORDLRPMDCOVRC-SJORKVTESA-N 2 1 340.512 1.349 20 0 EDADMP Cc1nocc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 ZINC000353061438 149270387 /nfs/dbraw/zinc/27/03/87/149270387.db2.gz GJANQULDAHZOEL-GJZGRUSLSA-N 2 1 348.426 1.888 20 0 EDADMP Cc1nocc1CN(C)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 ZINC000353061438 149270389 /nfs/dbraw/zinc/27/03/89/149270389.db2.gz GJANQULDAHZOEL-GJZGRUSLSA-N 2 1 348.426 1.888 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCC[N@H+]1CC=CCC1)[NH+](C)C ZINC000353172681 149311256 /nfs/dbraw/zinc/31/12/56/149311256.db2.gz DUWNQOSJDURPDQ-QGZVFWFLSA-N 2 1 346.475 1.859 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCC[N@@H+]1CC=CCC1)[NH+](C)C ZINC000353172681 149311257 /nfs/dbraw/zinc/31/12/57/149311257.db2.gz DUWNQOSJDURPDQ-QGZVFWFLSA-N 2 1 346.475 1.859 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000353267521 149346438 /nfs/dbraw/zinc/34/64/38/149346438.db2.gz USGHCWBPALKNQC-HNNXBMFYSA-N 2 1 326.485 1.271 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000416965065 304356211 /nfs/dbraw/zinc/35/62/11/304356211.db2.gz WYFHSDWVGPHYCV-IKGGRYGDSA-N 2 1 339.528 1.027 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000369930176 155241292 /nfs/dbraw/zinc/24/12/92/155241292.db2.gz XBXGJPNFGLOULT-DLBZAZTESA-N 2 1 335.492 1.717 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[NH2+]C2CCSCC2)cc[nH+]1 ZINC000354935649 150041383 /nfs/dbraw/zinc/04/13/83/150041383.db2.gz RCNPIGABQHSMIJ-GXTWGEPZSA-N 2 1 339.484 1.945 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC3CC3)C1)C2 ZINC000354965975 150057549 /nfs/dbraw/zinc/05/75/49/150057549.db2.gz FXPNIQJOVUXBLL-IRXDYDNUSA-N 2 1 330.476 1.944 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC3CC3)C1)C2 ZINC000354965975 150057552 /nfs/dbraw/zinc/05/75/52/150057552.db2.gz FXPNIQJOVUXBLL-IRXDYDNUSA-N 2 1 330.476 1.944 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000355085967 150109437 /nfs/dbraw/zinc/10/94/37/150109437.db2.gz WWQOARREIZHWOM-ULQDDVLXSA-N 2 1 340.512 1.347 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@H]2C1 ZINC000355383031 150245734 /nfs/dbraw/zinc/24/57/34/150245734.db2.gz KJSZNLZFJZUPPR-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H](CCC[NH3+])NC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417030139 304362594 /nfs/dbraw/zinc/36/25/94/304362594.db2.gz AJRCCHDHEWJBAD-IRXDYDNUSA-N 2 1 347.507 1.624 20 0 EDADMP CN(C(=O)[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000355507703 150297282 /nfs/dbraw/zinc/29/72/82/150297282.db2.gz JJAYBJBGOLZQIN-RTBURBONSA-N 2 1 343.471 1.583 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000355507703 150297289 /nfs/dbraw/zinc/29/72/89/150297289.db2.gz JJAYBJBGOLZQIN-RTBURBONSA-N 2 1 343.471 1.583 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000355507703 150297293 /nfs/dbraw/zinc/29/72/93/150297293.db2.gz JJAYBJBGOLZQIN-RTBURBONSA-N 2 1 343.471 1.583 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000355507703 150297297 /nfs/dbraw/zinc/29/72/97/150297297.db2.gz JJAYBJBGOLZQIN-RTBURBONSA-N 2 1 343.471 1.583 20 0 EDADMP CSC1(CNC(=O)NCC[NH+]2CCSCC2)CC[NH+](C)CC1 ZINC000357949386 151207053 /nfs/dbraw/zinc/20/70/53/151207053.db2.gz ALRKTSRGRJIPLQ-UHFFFAOYSA-N 2 1 346.566 1.162 20 0 EDADMP CSC1(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+](C)CC1 ZINC000357978135 151219842 /nfs/dbraw/zinc/21/98/42/151219842.db2.gz SFSCXOYVNOQVSI-CYBMUJFWSA-N 2 1 326.510 1.350 20 0 EDADMP C[C@@H](NC(=O)N1CCC[C@H]1CN1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000358082731 151264730 /nfs/dbraw/zinc/26/47/30/151264730.db2.gz WZXJNWKARDZNCY-WBVHZDCISA-N 2 1 336.480 1.143 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000358286497 151326742 /nfs/dbraw/zinc/32/67/42/151326742.db2.gz BEGYIGWBYKWXDW-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000358286497 151326744 /nfs/dbraw/zinc/32/67/44/151326744.db2.gz BEGYIGWBYKWXDW-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358312808 151333245 /nfs/dbraw/zinc/33/32/45/151333245.db2.gz MWQPWQJYHJLONW-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358312808 151333248 /nfs/dbraw/zinc/33/32/48/151333248.db2.gz MWQPWQJYHJLONW-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358312808 151333251 /nfs/dbraw/zinc/33/32/51/151333251.db2.gz MWQPWQJYHJLONW-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358312808 151333252 /nfs/dbraw/zinc/33/32/52/151333252.db2.gz MWQPWQJYHJLONW-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000358419807 151368947 /nfs/dbraw/zinc/36/89/47/151368947.db2.gz JMPSYSWFVOCDPJ-IAGOWNOFSA-N 2 1 342.528 1.763 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000358419807 151368948 /nfs/dbraw/zinc/36/89/48/151368948.db2.gz JMPSYSWFVOCDPJ-IAGOWNOFSA-N 2 1 342.528 1.763 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000358419807 151368949 /nfs/dbraw/zinc/36/89/49/151368949.db2.gz JMPSYSWFVOCDPJ-IAGOWNOFSA-N 2 1 342.528 1.763 20 0 EDADMP COc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])OCO2 ZINC000261981661 286253493 /nfs/dbraw/zinc/25/34/93/286253493.db2.gz JFUOFPTZUMHWOV-CQSZACIVSA-N 2 1 349.431 1.243 20 0 EDADMP COc1cc2c(cc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])OCO2 ZINC000261981661 286253497 /nfs/dbraw/zinc/25/34/97/286253497.db2.gz JFUOFPTZUMHWOV-CQSZACIVSA-N 2 1 349.431 1.243 20 0 EDADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NC[C@H]1COc2ccccc2O1 ZINC000358505520 151398513 /nfs/dbraw/zinc/39/85/13/151398513.db2.gz IWMMTLGVJJMESL-HNNXBMFYSA-N 2 1 345.443 1.018 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360657641 152142078 /nfs/dbraw/zinc/14/20/78/152142078.db2.gz OTVROXJSMLLSMZ-HLLBOEOZSA-N 2 1 342.553 1.986 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000360694137 152155546 /nfs/dbraw/zinc/15/55/46/152155546.db2.gz LIYPXIPFMSSQLG-OAHLLOKOSA-N 2 1 342.553 1.797 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCSC1 ZINC000360754282 152188061 /nfs/dbraw/zinc/18/80/61/152188061.db2.gz LRNZAOVKLKMUDV-HOCLYGCPSA-N 2 1 326.510 1.303 20 0 EDADMP C[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[NH+](C)CC1 ZINC000361088942 152299082 /nfs/dbraw/zinc/29/90/82/152299082.db2.gz RXOPIGAUUKHVBB-MRXNPFEDSA-N 2 1 345.491 1.050 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000361356261 152370894 /nfs/dbraw/zinc/37/08/94/152370894.db2.gz QDSXFKAFBXREKU-UHFFFAOYSA-N 2 1 346.466 1.248 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000361892307 152541230 /nfs/dbraw/zinc/54/12/30/152541230.db2.gz FBQJWTOYPMGVCP-ZJPYXAASSA-N 2 1 337.508 1.759 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNS(=O)(=O)C3CC3)CC2)CC1 ZINC000363640314 153020014 /nfs/dbraw/zinc/02/00/14/153020014.db2.gz XKUCVOGOZIQLOV-UHFFFAOYSA-N 2 1 329.510 1.265 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)C[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000363689801 153030278 /nfs/dbraw/zinc/03/02/78/153030278.db2.gz VAGOFHKNPNVRKA-BBWFWOEESA-N 2 1 325.497 1.772 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@H]3CCCCO3)CC2)CC1 ZINC000363727264 153040381 /nfs/dbraw/zinc/04/03/81/153040381.db2.gz ZFLRXONFQCLUSF-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@H+](CC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000364024200 153126085 /nfs/dbraw/zinc/12/60/85/153126085.db2.gz WMGUBMZCBLAZJT-UHFFFAOYSA-N 2 1 325.497 1.870 20 0 EDADMP CCC[N@@H+](CC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000364024200 153126089 /nfs/dbraw/zinc/12/60/89/153126089.db2.gz WMGUBMZCBLAZJT-UHFFFAOYSA-N 2 1 325.497 1.870 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000417223745 304385526 /nfs/dbraw/zinc/38/55/26/304385526.db2.gz SSIHDICECFGRKD-ZFWWWQNUSA-N 2 1 336.505 1.923 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000417223745 304385529 /nfs/dbraw/zinc/38/55/29/304385529.db2.gz SSIHDICECFGRKD-ZFWWWQNUSA-N 2 1 336.505 1.923 20 0 EDADMP O=C(NCCC[C@@H]1CCC[NH2+]1)NCC[N@@H+]1CCc2sccc2C1 ZINC000417277955 304388901 /nfs/dbraw/zinc/38/89/01/304388901.db2.gz YFEFCKNLNOGCDG-HNNXBMFYSA-N 2 1 336.505 1.938 20 0 EDADMP O=C(NCCC[C@@H]1CCC[NH2+]1)NCC[N@H+]1CCc2sccc2C1 ZINC000417277955 304388902 /nfs/dbraw/zinc/38/89/02/304388902.db2.gz YFEFCKNLNOGCDG-HNNXBMFYSA-N 2 1 336.505 1.938 20 0 EDADMP [NH3+][C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2F)CC1)C1CCOCC1 ZINC000367184410 154033798 /nfs/dbraw/zinc/03/37/98/154033798.db2.gz GDTWWXLLACAQGL-GOSISDBHSA-N 2 1 349.450 1.614 20 0 EDADMP [NH3+][C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1)C1CCOCC1 ZINC000367184410 154033803 /nfs/dbraw/zinc/03/38/03/154033803.db2.gz GDTWWXLLACAQGL-GOSISDBHSA-N 2 1 349.450 1.614 20 0 EDADMP COc1cccc(C2=CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000367267252 154060931 /nfs/dbraw/zinc/06/09/31/154060931.db2.gz NWRIRHOGGCYYMU-UHFFFAOYSA-N 2 1 343.471 1.948 20 0 EDADMP COc1cccc(C2=CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000367267252 154060933 /nfs/dbraw/zinc/06/09/33/154060933.db2.gz NWRIRHOGGCYYMU-UHFFFAOYSA-N 2 1 343.471 1.948 20 0 EDADMP O=C1NCCN1CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000367355843 154086998 /nfs/dbraw/zinc/08/69/98/154086998.db2.gz HDXYEVGQZKRNML-FQEVSTJZSA-N 2 1 342.487 2.000 20 0 EDADMP O=C1NCCN1CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000367355843 154087010 /nfs/dbraw/zinc/08/70/10/154087010.db2.gz HDXYEVGQZKRNML-FQEVSTJZSA-N 2 1 342.487 2.000 20 0 EDADMP O=C1NCCN1CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000367355843 154087012 /nfs/dbraw/zinc/08/70/12/154087012.db2.gz HDXYEVGQZKRNML-FQEVSTJZSA-N 2 1 342.487 2.000 20 0 EDADMP O[C@H](CN[C@H]1CCCc2n[nH]cc21)C[N@@H+]1CCc2ccccc2C1 ZINC000367551582 154171985 /nfs/dbraw/zinc/17/19/85/154171985.db2.gz LANYZZYMHKKUER-AEFFLSMTSA-N 2 1 326.444 1.796 20 0 EDADMP O[C@H](CN[C@H]1CCCc2n[nH]cc21)C[N@H+]1CCc2ccccc2C1 ZINC000367551582 154171987 /nfs/dbraw/zinc/17/19/87/154171987.db2.gz LANYZZYMHKKUER-AEFFLSMTSA-N 2 1 326.444 1.796 20 0 EDADMP C[C@@H]1CN(C[C@H]2CN(C)CCO2)CC[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000367894459 154316174 /nfs/dbraw/zinc/31/61/74/154316174.db2.gz CZFIBEPHQPXOQX-NZSAHSFTSA-N 2 1 329.488 1.663 20 0 EDADMP COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000369501688 155060674 /nfs/dbraw/zinc/06/06/74/155060674.db2.gz UDBKYKQALSATLK-SJORKVTESA-N 2 1 341.496 1.055 20 0 EDADMP C[NH+]1CCC(CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000369656170 155121794 /nfs/dbraw/zinc/12/17/94/155121794.db2.gz JKXGVEBJJDZFOV-RCCFBDPRSA-N 2 1 334.508 1.844 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000370600813 155573151 /nfs/dbraw/zinc/57/31/51/155573151.db2.gz BKBHSNULOHOGAC-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP COCCCN(C(=O)[C@H](C)[NH+]1CCSCC1)C1CC[NH+](C)CC1 ZINC000362344734 292327610 /nfs/dbraw/zinc/32/76/10/292327610.db2.gz IKSDDABZHBYSNA-HNNXBMFYSA-N 2 1 343.537 1.383 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)C1 ZINC000373028974 156644171 /nfs/dbraw/zinc/64/41/71/156644171.db2.gz LPCKBUFPVJAMDY-HNAYVOBHSA-N 2 1 331.460 1.684 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)NCCOc3ccccc3)C2)CC1 ZINC000374176296 157179336 /nfs/dbraw/zinc/17/93/36/157179336.db2.gz SRYIXJXZUODMCJ-UHFFFAOYSA-N 2 1 345.487 1.989 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000374333670 157250020 /nfs/dbraw/zinc/25/00/20/157250020.db2.gz VUMFXSXLVXNODO-SFHVURJKSA-N 2 1 336.524 1.204 20 0 EDADMP C[NH+](C)[C@]1(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CCOc2ccccc21 ZINC000374585410 157336090 /nfs/dbraw/zinc/33/60/90/157336090.db2.gz MVSOUYIICKPBQK-QFBILLFUSA-N 2 1 331.460 1.812 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000374585142 157336371 /nfs/dbraw/zinc/33/63/71/157336371.db2.gz NXEKBDBKBGXBHJ-OWYHZJEWSA-N 2 1 345.487 1.862 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000374585143 157336691 /nfs/dbraw/zinc/33/66/91/157336691.db2.gz NXEKBDBKBGXBHJ-YSHGAJCASA-N 2 1 345.487 1.862 20 0 EDADMP COCCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C[C@H]1C ZINC000377966666 158042252 /nfs/dbraw/zinc/04/22/52/158042252.db2.gz VWDFMAKKBJCEIJ-AEFFLSMTSA-N 2 1 346.475 1.225 20 0 EDADMP COCCN1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C[C@H]1C ZINC000377966666 158042254 /nfs/dbraw/zinc/04/22/54/158042254.db2.gz VWDFMAKKBJCEIJ-AEFFLSMTSA-N 2 1 346.475 1.225 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccn2)C[C@H]1C ZINC000377966666 158042255 /nfs/dbraw/zinc/04/22/55/158042255.db2.gz VWDFMAKKBJCEIJ-AEFFLSMTSA-N 2 1 346.475 1.225 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000378113199 158082077 /nfs/dbraw/zinc/08/20/77/158082077.db2.gz FYJRDKJQTKFJMQ-LSDHHAIUSA-N 2 1 333.480 1.934 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000378113199 158082079 /nfs/dbraw/zinc/08/20/79/158082079.db2.gz FYJRDKJQTKFJMQ-LSDHHAIUSA-N 2 1 333.480 1.934 20 0 EDADMP CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378435176 158172526 /nfs/dbraw/zinc/17/25/26/158172526.db2.gz NFIKKGUGCQNXCD-QZTJIDSGSA-N 2 1 338.540 1.641 20 0 EDADMP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378435176 158172528 /nfs/dbraw/zinc/17/25/28/158172528.db2.gz NFIKKGUGCQNXCD-QZTJIDSGSA-N 2 1 338.540 1.641 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCOCC[NH+](CC)CC ZINC000352209003 162052178 /nfs/dbraw/zinc/05/21/78/162052178.db2.gz XPOZNXRAVOJREY-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000352223239 162059228 /nfs/dbraw/zinc/05/92/28/162059228.db2.gz RAIGTQLYMDGNBJ-INIZCTEOSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000352312536 162110756 /nfs/dbraw/zinc/11/07/56/162110756.db2.gz HMZXRTOILHMLDY-OAHLLOKOSA-N 2 1 333.542 1.758 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)[C@H]3CCCc4nccn43)CC2)CCO1 ZINC000352452426 162188745 /nfs/dbraw/zinc/18/87/45/162188745.db2.gz GDKUUVDETVCBMA-GOEBONIOSA-N 2 1 332.448 1.472 20 0 EDADMP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)CCO1 ZINC000352452426 162188747 /nfs/dbraw/zinc/18/87/47/162188747.db2.gz GDKUUVDETVCBMA-GOEBONIOSA-N 2 1 332.448 1.472 20 0 EDADMP CCN(C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000663553233 452259857 /nfs/dbraw/zinc/25/98/57/452259857.db2.gz MSACVLPGNZIEFK-JYJNAYRXSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000074371527 287270195 /nfs/dbraw/zinc/27/01/95/287270195.db2.gz VLUSNNHBDOFBFN-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H]1C[NH+](CC2CC[NH+](CN3CC(C)(C)OC3=O)CC2)C[C@@H](C)O1 ZINC000124115696 287394327 /nfs/dbraw/zinc/39/43/27/287394327.db2.gz ONQUNTFVNDXOLD-HUUCEWRRSA-N 2 1 339.480 1.996 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000418354147 304484391 /nfs/dbraw/zinc/48/43/91/304484391.db2.gz WEAAKULYTMNNPN-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC(NC(=O)CN2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000123453282 222279615 /nfs/dbraw/zinc/27/96/15/222279615.db2.gz ANCWCKPAWGTFMP-UHFFFAOYSA-N 2 1 338.540 1.641 20 0 EDADMP C[C@@H](C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCSCC1 ZINC000132838141 287530888 /nfs/dbraw/zinc/53/08/88/287530888.db2.gz AGZKXRFTLSMWCO-RDJZCZTQSA-N 2 1 335.517 1.713 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C)cc2F)CC1 ZINC000194651254 273004468 /nfs/dbraw/zinc/00/44/68/273004468.db2.gz ULPZWVUVADEEGT-INIZCTEOSA-N 2 1 348.466 1.792 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@H+]3C)cc2F)CC1 ZINC000194651254 273004469 /nfs/dbraw/zinc/00/44/69/273004469.db2.gz ULPZWVUVADEEGT-INIZCTEOSA-N 2 1 348.466 1.792 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237155871 273008242 /nfs/dbraw/zinc/00/82/42/273008242.db2.gz NEQPTMLSUGMIPG-LJQANCHMSA-N 2 1 346.519 1.856 20 0 EDADMP COCC[NH2+]CC(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000237254675 273008637 /nfs/dbraw/zinc/00/86/37/273008637.db2.gz ODTBNRNSWQMSKW-GJZGRUSLSA-N 2 1 335.448 1.470 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000237714150 273012174 /nfs/dbraw/zinc/01/21/74/273012174.db2.gz QLYMZFVRQGLNIU-XHSDSOJGSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@@H](NC(=O)N1CCN(Cc2ccncc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000273045298 273025620 /nfs/dbraw/zinc/02/56/20/273025620.db2.gz WQZIHCLLBNGJTP-MRXNPFEDSA-N 2 1 343.475 1.559 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+](CC)CCO)cc1 ZINC000274605040 268167703 /nfs/dbraw/zinc/16/77/03/268167703.db2.gz XXDLNRFMBUIONW-UHFFFAOYSA-N 2 1 335.492 1.963 20 0 EDADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+](CC)CCO)cc1 ZINC000274605040 268167704 /nfs/dbraw/zinc/16/77/04/268167704.db2.gz XXDLNRFMBUIONW-UHFFFAOYSA-N 2 1 335.492 1.963 20 0 EDADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+](CC)CCO)cc1 ZINC000274605040 268167705 /nfs/dbraw/zinc/16/77/05/268167705.db2.gz XXDLNRFMBUIONW-UHFFFAOYSA-N 2 1 335.492 1.963 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1 ZINC000274618550 268169639 /nfs/dbraw/zinc/16/96/39/268169639.db2.gz FDLAAFHBQZXISG-INIZCTEOSA-N 2 1 336.480 1.120 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000274618550 268169642 /nfs/dbraw/zinc/16/96/42/268169642.db2.gz FDLAAFHBQZXISG-INIZCTEOSA-N 2 1 336.480 1.120 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000274618550 268169644 /nfs/dbraw/zinc/16/96/44/268169644.db2.gz FDLAAFHBQZXISG-INIZCTEOSA-N 2 1 336.480 1.120 20 0 EDADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274854429 268223531 /nfs/dbraw/zinc/22/35/31/268223531.db2.gz RWOHCJPOXSMNGQ-GDBMZVCRSA-N 2 1 332.448 1.332 20 0 EDADMP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274854429 268223533 /nfs/dbraw/zinc/22/35/33/268223533.db2.gz RWOHCJPOXSMNGQ-GDBMZVCRSA-N 2 1 332.448 1.332 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[NH+](C)CC1 ZINC000274189604 273076105 /nfs/dbraw/zinc/07/61/05/273076105.db2.gz HRSAZMJEDMPDHW-SJLPKXTDSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[N@H+](C)CC1 ZINC000274189604 273076106 /nfs/dbraw/zinc/07/61/06/273076106.db2.gz HRSAZMJEDMPDHW-SJLPKXTDSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000274189604 273076107 /nfs/dbraw/zinc/07/61/07/273076107.db2.gz HRSAZMJEDMPDHW-SJLPKXTDSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277511538 273202797 /nfs/dbraw/zinc/20/27/97/273202797.db2.gz QDJVFBQGJXGUHF-KCITZHQASA-N 2 1 345.487 1.780 20 0 EDADMP COCC[NH+](CCOC)C1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000375795342 274024752 /nfs/dbraw/zinc/02/47/52/274024752.db2.gz XADQYQNJAUTXHL-WOJBJXKFSA-N 2 1 348.487 1.704 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000415110760 275461751 /nfs/dbraw/zinc/46/17/51/275461751.db2.gz SVCVLVFRNSNCQS-RDJZCZTQSA-N 2 1 330.476 1.761 20 0 EDADMP CC[N@@H+](CC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C1CC1 ZINC000372826444 276080055 /nfs/dbraw/zinc/08/00/55/276080055.db2.gz VEWGUQCNLCUUKN-UHFFFAOYSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@H+](CC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C1CC1 ZINC000372826444 276080056 /nfs/dbraw/zinc/08/00/56/276080056.db2.gz VEWGUQCNLCUUKN-UHFFFAOYSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@@H+](CC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C1CC1 ZINC000372826444 276080057 /nfs/dbraw/zinc/08/00/57/276080057.db2.gz VEWGUQCNLCUUKN-UHFFFAOYSA-N 2 1 336.524 1.488 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@H](C)CC[NH3+])CC1 ZINC000416999025 276385553 /nfs/dbraw/zinc/38/55/53/276385553.db2.gz XJFQVYHIDFDKCY-MRXNPFEDSA-N 2 1 347.507 1.361 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)[C@@H]1c1ccccc1 ZINC000418159686 276390613 /nfs/dbraw/zinc/39/06/13/276390613.db2.gz APVQMOVNEWLFMC-BZSNNMDCSA-N 2 1 346.475 1.485 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)[C@@H]1c1ccccc1 ZINC000418159686 276390615 /nfs/dbraw/zinc/39/06/15/276390615.db2.gz APVQMOVNEWLFMC-BZSNNMDCSA-N 2 1 346.475 1.485 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCCC[NH+]2C[C@@H]1C ZINC000343984913 277220859 /nfs/dbraw/zinc/22/08/59/277220859.db2.gz CPIJDDAKYOQGHK-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000343984913 277220860 /nfs/dbraw/zinc/22/08/60/277220860.db2.gz CPIJDDAKYOQGHK-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000343984913 277220861 /nfs/dbraw/zinc/22/08/61/277220861.db2.gz CPIJDDAKYOQGHK-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000414935611 277286682 /nfs/dbraw/zinc/28/66/82/277286682.db2.gz BBZQRGNMKKPLSI-XJKSGUPXSA-N 2 1 332.448 1.189 20 0 EDADMP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000352676860 277354116 /nfs/dbraw/zinc/35/41/16/277354116.db2.gz URKQKGBSNNTQFK-PQYPPTLTSA-N 2 1 333.476 1.085 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351284 278212619 /nfs/dbraw/zinc/21/26/19/278212619.db2.gz WKUQEOYZMJQNLH-ICUGJSFKSA-N 2 1 336.524 1.295 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418078424 278230057 /nfs/dbraw/zinc/23/00/57/278230057.db2.gz VVMVWRGSSCEZMS-DOTOQJQBSA-N 2 1 334.464 1.314 20 0 EDADMP C[C@@H](CCNC(=O)NC[C@@H]1C[NH2+]CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000417822939 278232779 /nfs/dbraw/zinc/23/27/79/278232779.db2.gz XOLWCLNUOZSCRP-WMZOPIPTSA-N 2 1 348.491 1.575 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417023880 278249417 /nfs/dbraw/zinc/24/94/17/278249417.db2.gz PMBPHOSLGIDDSH-RDJZCZTQSA-N 2 1 333.480 1.012 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000417023880 278249418 /nfs/dbraw/zinc/24/94/18/278249418.db2.gz PMBPHOSLGIDDSH-RDJZCZTQSA-N 2 1 333.480 1.012 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000417023880 278249421 /nfs/dbraw/zinc/24/94/21/278249421.db2.gz PMBPHOSLGIDDSH-RDJZCZTQSA-N 2 1 333.480 1.012 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[NH+](C)C ZINC000459033505 278277703 /nfs/dbraw/zinc/27/77/03/278277703.db2.gz BQXYPBCYQZXGOS-SZMVWBNQSA-N 2 1 348.491 1.119 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@H]1C ZINC000333979246 278291067 /nfs/dbraw/zinc/29/10/67/278291067.db2.gz ABCJYHXSKFENLD-CABCVRRESA-N 2 1 338.496 1.100 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000286671229 288058919 /nfs/dbraw/zinc/05/89/19/288058919.db2.gz XTBPWQLBOHGYOI-UHFFFAOYSA-N 2 1 341.419 1.796 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000352664699 288066518 /nfs/dbraw/zinc/06/65/18/288066518.db2.gz NKWFHROIIJDLMZ-OKILXGFUSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000352664699 288066520 /nfs/dbraw/zinc/06/65/20/288066520.db2.gz NKWFHROIIJDLMZ-OKILXGFUSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000352664699 288066522 /nfs/dbraw/zinc/06/65/22/288066522.db2.gz NKWFHROIIJDLMZ-OKILXGFUSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000352664699 288066524 /nfs/dbraw/zinc/06/65/24/288066524.db2.gz NKWFHROIIJDLMZ-OKILXGFUSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000286805105 288092348 /nfs/dbraw/zinc/09/23/48/288092348.db2.gz VGJUOKWCHNXPSS-MRXNPFEDSA-N 2 1 337.464 1.528 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496175141 279037768 /nfs/dbraw/zinc/03/77/68/279037768.db2.gz YDINAYWMITULFP-PMPSAXMXSA-N 2 1 343.512 1.782 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496175141 279037771 /nfs/dbraw/zinc/03/77/71/279037771.db2.gz YDINAYWMITULFP-PMPSAXMXSA-N 2 1 343.512 1.782 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496175141 279037773 /nfs/dbraw/zinc/03/77/73/279037773.db2.gz YDINAYWMITULFP-PMPSAXMXSA-N 2 1 343.512 1.782 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496175141 279037774 /nfs/dbraw/zinc/03/77/74/279037774.db2.gz YDINAYWMITULFP-PMPSAXMXSA-N 2 1 343.512 1.782 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CCC[N@H+]1C ZINC000345410564 279091768 /nfs/dbraw/zinc/09/17/68/279091768.db2.gz LVGYTIBTLTZLAC-NJAFHUGGSA-N 2 1 332.492 1.941 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000352213436 279108324 /nfs/dbraw/zinc/10/83/24/279108324.db2.gz HUEAAIJJNFSGQD-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340050408 279112144 /nfs/dbraw/zinc/11/21/44/279112144.db2.gz BTYFAYLRDVSEQG-XHSDSOJGSA-N 2 1 333.542 1.614 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)c1cccc(OC)c1 ZINC000262386680 279147328 /nfs/dbraw/zinc/14/73/28/279147328.db2.gz XMCKKUXBDGKBEZ-JLSDUUJJSA-N 2 1 349.475 1.571 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1nccs1 ZINC000337577004 279302090 /nfs/dbraw/zinc/30/20/90/279302090.db2.gz JQYXYWRRLQRFIQ-OAHLLOKOSA-N 2 1 338.521 1.950 20 0 EDADMP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000347193156 279359064 /nfs/dbraw/zinc/35/90/64/279359064.db2.gz JGGRWDWBDBUGBJ-SJORKVTESA-N 2 1 337.508 1.556 20 0 EDADMP C[C@H](CO)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000347193156 279359067 /nfs/dbraw/zinc/35/90/67/279359067.db2.gz JGGRWDWBDBUGBJ-SJORKVTESA-N 2 1 337.508 1.556 20 0 EDADMP C[C@H](CO)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000347193156 279359069 /nfs/dbraw/zinc/35/90/69/279359069.db2.gz JGGRWDWBDBUGBJ-SJORKVTESA-N 2 1 337.508 1.556 20 0 EDADMP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000110654555 279395535 /nfs/dbraw/zinc/39/55/35/279395535.db2.gz VEPDMPKOEKTUEG-PKOBYXMFSA-N 2 1 344.503 1.433 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000110654555 279395538 /nfs/dbraw/zinc/39/55/38/279395538.db2.gz VEPDMPKOEKTUEG-PKOBYXMFSA-N 2 1 344.503 1.433 20 0 EDADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCCn2cc[nH+]c2C)cc1 ZINC000287183650 288175321 /nfs/dbraw/zinc/17/53/21/288175321.db2.gz CUGGQWBWCKKDSC-QGZVFWFLSA-N 2 1 345.447 1.802 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC000366387855 280099489 /nfs/dbraw/zinc/09/94/89/280099489.db2.gz CPOGUXLUNNPKGX-BRWVUGGUSA-N 2 1 340.512 1.469 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC000366387855 280099491 /nfs/dbraw/zinc/09/94/91/280099491.db2.gz CPOGUXLUNNPKGX-BRWVUGGUSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000287676494 288292905 /nfs/dbraw/zinc/29/29/05/288292905.db2.gz IYUJKUFAZGEDRB-SZMVWBNQSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000287676494 288292906 /nfs/dbraw/zinc/29/29/06/288292906.db2.gz IYUJKUFAZGEDRB-SZMVWBNQSA-N 2 1 346.475 1.140 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H]1C ZINC000287982702 288373503 /nfs/dbraw/zinc/37/35/03/288373503.db2.gz JLBMNMQIYCZHAT-WMZOPIPTSA-N 2 1 348.491 1.263 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000287982702 288373507 /nfs/dbraw/zinc/37/35/07/288373507.db2.gz JLBMNMQIYCZHAT-WMZOPIPTSA-N 2 1 348.491 1.263 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000287982702 288373508 /nfs/dbraw/zinc/37/35/08/288373508.db2.gz JLBMNMQIYCZHAT-WMZOPIPTSA-N 2 1 348.491 1.263 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000347405842 282024084 /nfs/dbraw/zinc/02/40/84/282024084.db2.gz ZGAZPQGGMOZJNQ-CVEARBPZSA-N 2 1 326.529 1.541 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422248079 282047313 /nfs/dbraw/zinc/04/73/13/282047313.db2.gz ZCQVUOXTOSSBPP-UHFFFAOYSA-N 2 1 340.512 1.611 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422248079 282047315 /nfs/dbraw/zinc/04/73/15/282047315.db2.gz ZCQVUOXTOSSBPP-UHFFFAOYSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](n2cccn2)C1)c1ccccc1 ZINC000291376199 289046890 /nfs/dbraw/zinc/04/68/90/289046890.db2.gz APJUOBYOSNCBTQ-QZTJIDSGSA-N 2 1 341.459 1.549 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](n2cccn2)C1)c1ccccc1 ZINC000291376199 289046891 /nfs/dbraw/zinc/04/68/91/289046891.db2.gz APJUOBYOSNCBTQ-QZTJIDSGSA-N 2 1 341.459 1.549 20 0 EDADMP C[NH+](C)C1(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCOCC1 ZINC000458402034 289050505 /nfs/dbraw/zinc/05/05/05/289050505.db2.gz RRWIQZPKHKCPFK-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP CN(C[C@](C)(O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000496174573 289195998 /nfs/dbraw/zinc/19/59/98/289195998.db2.gz XHXGZYNRFBJAHG-YOEHRIQHSA-N 2 1 329.485 1.488 20 0 EDADMP C[C@@H](CCCC[NH3+])NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000292082292 289257087 /nfs/dbraw/zinc/25/70/87/289257087.db2.gz MGNNQJARXIPIRY-WMZOPIPTSA-N 2 1 332.492 1.609 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CCSC1 ZINC000353327373 289341506 /nfs/dbraw/zinc/34/15/06/289341506.db2.gz NQHAIDMJRFSARF-IIAWOOMASA-N 2 1 326.510 1.159 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360737852 289398865 /nfs/dbraw/zinc/39/88/65/289398865.db2.gz NNMLNZQSMCMMGN-HOCLYGCPSA-N 2 1 328.526 1.407 20 0 EDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414965302 289735514 /nfs/dbraw/zinc/73/55/14/289735514.db2.gz FLIFCFZULKEYDM-RBSFLKMASA-N 3 1 336.446 1.723 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C[C@H]1C ZINC000373011384 290103288 /nfs/dbraw/zinc/10/32/88/290103288.db2.gz FTSZNEWRNAQIFM-RYRKJORJSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C[C@H]1C ZINC000373011384 290103290 /nfs/dbraw/zinc/10/32/90/290103290.db2.gz FTSZNEWRNAQIFM-RYRKJORJSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC000373011384 290103292 /nfs/dbraw/zinc/10/32/92/290103292.db2.gz FTSZNEWRNAQIFM-RYRKJORJSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC000373011384 290103294 /nfs/dbraw/zinc/10/32/94/290103294.db2.gz FTSZNEWRNAQIFM-RYRKJORJSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344045025 290399949 /nfs/dbraw/zinc/39/99/49/290399949.db2.gz XZDDRONUELVXAK-ROUUACIJSA-N 2 1 340.556 1.839 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)C(F)(F)F ZINC000416009355 295235565 /nfs/dbraw/zinc/23/55/65/295235565.db2.gz OVCGPUDUOCIAHV-CYBMUJFWSA-N 2 1 336.402 1.926 20 0 EDADMP [NH3+]C[C@@H](C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000424259598 295241947 /nfs/dbraw/zinc/24/19/47/295241947.db2.gz AMXUKQUTLQBTSZ-SJORKVTESA-N 3 1 348.466 1.012 20 0 EDADMP [NH3+]C[C@@H](C[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1)c1ccc(F)cc1 ZINC000424259598 295241949 /nfs/dbraw/zinc/24/19/49/295241949.db2.gz AMXUKQUTLQBTSZ-SJORKVTESA-N 2 1 348.466 1.012 20 0 EDADMP [NH3+]C[C@@H](C[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1)c1ccc(F)cc1 ZINC000424259598 295241951 /nfs/dbraw/zinc/24/19/51/295241951.db2.gz AMXUKQUTLQBTSZ-SJORKVTESA-N 2 1 348.466 1.012 20 0 EDADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000195217141 295497650 /nfs/dbraw/zinc/49/76/50/295497650.db2.gz GLYPXQNQLCVMFY-RTBURBONSA-N 2 1 349.519 1.964 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000418545471 304511017 /nfs/dbraw/zinc/51/10/17/304511017.db2.gz FSKPHPKHSVAXOX-GOSISDBHSA-N 2 1 330.476 1.964 20 0 EDADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000418790126 304531368 /nfs/dbraw/zinc/53/13/68/304531368.db2.gz LLXWYSPHRSFKLT-GUDVDZBRSA-N 2 1 342.487 1.902 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000414875797 299004624 /nfs/dbraw/zinc/00/46/24/299004624.db2.gz JTXPGIGXXFMELL-ZDUSSCGKSA-N 2 1 332.448 1.635 20 0 EDADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000422024568 447314637 /nfs/dbraw/zinc/31/46/37/447314637.db2.gz QRSSEIOUYRPQAI-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000422024568 447314644 /nfs/dbraw/zinc/31/46/44/447314644.db2.gz QRSSEIOUYRPQAI-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1F ZINC000420321180 304751869 /nfs/dbraw/zinc/75/18/69/304751869.db2.gz CMCLGDXKZFIHSC-AEFFLSMTSA-N 2 1 335.423 1.901 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414754231 447322371 /nfs/dbraw/zinc/32/23/71/447322371.db2.gz NQKMVOWARHEGMI-ZNMIVQPWSA-N 2 1 346.475 1.566 20 0 EDADMP Cn1ncc(CNCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)n1 ZINC000294190956 303075404 /nfs/dbraw/zinc/07/54/04/303075404.db2.gz QYXKZCGXDYJNGV-SFHVURJKSA-N 2 1 328.464 1.284 20 0 EDADMP Cc1ncsc1CC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000295077524 303170647 /nfs/dbraw/zinc/17/06/47/303170647.db2.gz RRJIATAOXVGXHH-UHFFFAOYSA-N 2 1 332.477 1.326 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000296617497 303327133 /nfs/dbraw/zinc/32/71/33/303327133.db2.gz ZPSRWEKGXDZURM-OAHLLOKOSA-N 2 1 346.475 1.330 20 0 EDADMP C[NH2+][C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1cnn(C)c1 ZINC000423752943 304908277 /nfs/dbraw/zinc/90/82/77/304908277.db2.gz BEBANEQYTOYRBK-SFHVURJKSA-N 2 1 341.459 1.958 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000428757162 305016763 /nfs/dbraw/zinc/01/67/63/305016763.db2.gz IIFVUYYCSYACSQ-GOEBONIOSA-N 2 1 329.435 1.953 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000428757162 305016764 /nfs/dbraw/zinc/01/67/64/305016764.db2.gz IIFVUYYCSYACSQ-GOEBONIOSA-N 2 1 329.435 1.953 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC000430567517 305056207 /nfs/dbraw/zinc/05/62/07/305056207.db2.gz DTTULEONOOLQGI-DZKIICNBSA-N 2 1 332.448 1.460 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC000430567517 305056208 /nfs/dbraw/zinc/05/62/08/305056208.db2.gz DTTULEONOOLQGI-DZKIICNBSA-N 2 1 332.448 1.460 20 0 EDADMP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430605462 305058342 /nfs/dbraw/zinc/05/83/42/305058342.db2.gz RAVUXFLOYVIDEU-AWEZNQCLSA-N 2 1 341.402 1.917 20 0 EDADMP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430605462 305058343 /nfs/dbraw/zinc/05/83/43/305058343.db2.gz RAVUXFLOYVIDEU-AWEZNQCLSA-N 2 1 341.402 1.917 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN(C)C3CC[NH2+]CC3)CC2)c1 ZINC000430608883 305058578 /nfs/dbraw/zinc/05/85/78/305058578.db2.gz FPLIXNZOJIBDCQ-UHFFFAOYSA-N 2 1 344.503 1.323 20 0 EDADMP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430630825 305060160 /nfs/dbraw/zinc/06/01/60/305060160.db2.gz SQABJLUEKWLXKV-MRXNPFEDSA-N 2 1 344.459 1.077 20 0 EDADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430630825 305060161 /nfs/dbraw/zinc/06/01/61/305060161.db2.gz SQABJLUEKWLXKV-MRXNPFEDSA-N 2 1 344.459 1.077 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000430700759 305062701 /nfs/dbraw/zinc/06/27/01/305062701.db2.gz COVDAXFRGAHHKQ-MPGHIAIKSA-N 2 1 349.475 1.701 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)[C@H](C)C1 ZINC000430702923 305062844 /nfs/dbraw/zinc/06/28/44/305062844.db2.gz DEXMIPLHERFDDO-IKGGRYGDSA-N 2 1 341.496 1.008 20 0 EDADMP CC[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000430767323 305064306 /nfs/dbraw/zinc/06/43/06/305064306.db2.gz VYNUNAPFQMIERJ-ROUUACIJSA-N 2 1 331.460 1.318 20 0 EDADMP CC[N@@H+]1CCc2nc(NC(=O)[C@]3(CCOC)CC[NH2+]C3)sc2C1 ZINC000430826860 305065481 /nfs/dbraw/zinc/06/54/81/305065481.db2.gz XPWAGWVBYLTXHT-INIZCTEOSA-N 2 1 338.477 1.476 20 0 EDADMP CC[N@H+]1CCc2nc(NC(=O)[C@]3(CCOC)CC[NH2+]C3)sc2C1 ZINC000430826860 305065482 /nfs/dbraw/zinc/06/54/82/305065482.db2.gz XPWAGWVBYLTXHT-INIZCTEOSA-N 2 1 338.477 1.476 20 0 EDADMP C[C@H]1C[N@H+](C2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)CCO1 ZINC000431063648 305073901 /nfs/dbraw/zinc/07/39/01/305073901.db2.gz GEZZJGXAJUENNK-MAUKXSAKSA-N 2 1 331.460 1.441 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000431058011 305073947 /nfs/dbraw/zinc/07/39/47/305073947.db2.gz QLYMZFVRQGLNIU-OWCLPIDISA-N 2 1 325.497 1.628 20 0 EDADMP COC1(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC[NH2+]CC1 ZINC000431062832 305074070 /nfs/dbraw/zinc/07/40/70/305074070.db2.gz UKANYIQTGALDCW-RDJZCZTQSA-N 2 1 331.460 1.707 20 0 EDADMP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](n2c(C)nc3c2CCCC3)C1 ZINC000432076023 305086916 /nfs/dbraw/zinc/08/69/16/305086916.db2.gz KPGULZBFJCXFKH-ZBFHGGJFSA-N 2 1 348.491 1.858 20 0 EDADMP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432076023 305086918 /nfs/dbraw/zinc/08/69/18/305086918.db2.gz KPGULZBFJCXFKH-ZBFHGGJFSA-N 2 1 348.491 1.858 20 0 EDADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCN(C(=O)N(C)C)CC2)CCCO1 ZINC000432366871 305092235 /nfs/dbraw/zinc/09/22/35/305092235.db2.gz HIIQPSWULOGLKA-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCN(C(=O)N(C)C)CC2)CCCO1 ZINC000432366871 305092236 /nfs/dbraw/zinc/09/22/36/305092236.db2.gz HIIQPSWULOGLKA-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433385518 305107370 /nfs/dbraw/zinc/10/73/70/305107370.db2.gz BHRQVDRLJLMXLK-HZPDHXFCSA-N 2 1 348.495 1.587 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000434712552 305129259 /nfs/dbraw/zinc/12/92/59/305129259.db2.gz VXZVHFXVWAWACB-QGZVFWFLSA-N 2 1 334.464 1.323 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCCOCC(F)(F)F ZINC000436056500 305151613 /nfs/dbraw/zinc/15/16/13/305151613.db2.gz ZCCFLBDCZALCNR-LBPRGKRZSA-N 2 1 325.375 1.275 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440975813 305215542 /nfs/dbraw/zinc/21/55/42/305215542.db2.gz AVSZSEHAXCAGQF-MRXNPFEDSA-N 2 1 341.544 1.288 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000444377670 305247750 /nfs/dbraw/zinc/24/77/50/305247750.db2.gz XKFDGHQFLQSDCT-HNNXBMFYSA-N 2 1 333.476 1.665 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000446410717 305264810 /nfs/dbraw/zinc/26/48/10/305264810.db2.gz KXAQFCGXRHVDGB-KURKYZTESA-N 2 1 330.476 1.361 20 0 EDADMP CC[C@H]1CN(C(=O)NCC2([NH+](C)C)CCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000446615539 305268036 /nfs/dbraw/zinc/26/80/36/305268036.db2.gz OOQNMJKCSKXOCD-HOTGVXAUSA-N 2 1 338.496 1.223 20 0 EDADMP COc1ccc(CNC(=O)CC[NH+]2CCC([NH+](C)C)CC2)c(OC)c1 ZINC000450253295 305328444 /nfs/dbraw/zinc/32/84/44/305328444.db2.gz NLXPHPBQEHIOJJ-UHFFFAOYSA-N 2 1 349.475 1.736 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(CC(=O)N3CCN(Cc4ccsc4)CC3)C[C@@H]21 ZINC000451625543 305356967 /nfs/dbraw/zinc/35/69/67/305356967.db2.gz PYTLJTVVQCSMFQ-SJORKVTESA-N 2 1 348.516 1.028 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCC[NH+]1CCCO)[N@@H+]1CCc2ccccc2C1 ZINC000452349970 305391361 /nfs/dbraw/zinc/39/13/61/305391361.db2.gz NQQQACVHXJBHGQ-VQIMIIECSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCC[NH+]1CCCO)[N@H+]1CCc2ccccc2C1 ZINC000452349970 305391362 /nfs/dbraw/zinc/39/13/62/305391362.db2.gz NQQQACVHXJBHGQ-VQIMIIECSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1CCc2ccccc2C1 ZINC000452349970 305391363 /nfs/dbraw/zinc/39/13/63/305391363.db2.gz NQQQACVHXJBHGQ-VQIMIIECSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1CCc2ccccc2C1 ZINC000452349970 305391364 /nfs/dbraw/zinc/39/13/64/305391364.db2.gz NQQQACVHXJBHGQ-VQIMIIECSA-N 2 1 345.487 1.396 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000452349413 305391417 /nfs/dbraw/zinc/39/14/17/305391417.db2.gz MRFBDBHYNQWRLP-MOPGFXCFSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000452349413 305391418 /nfs/dbraw/zinc/39/14/18/305391418.db2.gz MRFBDBHYNQWRLP-MOPGFXCFSA-N 2 1 345.487 1.614 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000452349413 305391419 /nfs/dbraw/zinc/39/14/19/305391419.db2.gz MRFBDBHYNQWRLP-MOPGFXCFSA-N 2 1 345.487 1.614 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000377775192 447349595 /nfs/dbraw/zinc/34/95/95/447349595.db2.gz LHQLYOHNBLSVIM-OKZBNKHCSA-N 2 1 337.508 1.581 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000484279233 305545495 /nfs/dbraw/zinc/54/54/95/305545495.db2.gz FOUJHOIEHSOXFO-NUJGCVRESA-N 2 1 340.512 1.205 20 0 EDADMP CC[N@@H+]1CCc2nc(NC(=O)[C@H](C)CN3CCOCC3)sc2C1 ZINC000535048342 306011572 /nfs/dbraw/zinc/01/15/72/306011572.db2.gz MLYUMRHRSUNTSH-GFCCVEGCSA-N 2 1 338.477 1.428 20 0 EDADMP CC[N@H+]1CCc2nc(NC(=O)[C@H](C)CN3CCOCC3)sc2C1 ZINC000535048342 306011573 /nfs/dbraw/zinc/01/15/73/306011573.db2.gz MLYUMRHRSUNTSH-GFCCVEGCSA-N 2 1 338.477 1.428 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000543027390 306060189 /nfs/dbraw/zinc/06/01/89/306060189.db2.gz RNVCSJKAILBFLN-ROUUACIJSA-N 2 1 330.476 1.704 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000545176063 306081142 /nfs/dbraw/zinc/08/11/42/306081142.db2.gz XPWZDZQQYOELDH-PKOBYXMFSA-N 2 1 346.475 1.017 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000545176063 306081143 /nfs/dbraw/zinc/08/11/43/306081143.db2.gz XPWZDZQQYOELDH-PKOBYXMFSA-N 2 1 346.475 1.017 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000545176063 306081144 /nfs/dbraw/zinc/08/11/44/306081144.db2.gz XPWZDZQQYOELDH-PKOBYXMFSA-N 2 1 346.475 1.017 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000556686463 306214012 /nfs/dbraw/zinc/21/40/12/306214012.db2.gz LQGFNHWGJJEHSA-QGZVFWFLSA-N 2 1 338.540 1.591 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC[C@@H]1C1(O)CC1)c1ccccc1 ZINC000556780313 306217759 /nfs/dbraw/zinc/21/77/59/306217759.db2.gz XRXLQNRDPFPZRB-QZTJIDSGSA-N 2 1 345.487 1.785 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000414946843 447369707 /nfs/dbraw/zinc/36/97/07/447369707.db2.gz TYZINSHIPBUQQG-WMLDXEAASA-N 2 1 346.475 1.580 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000458445449 447372758 /nfs/dbraw/zinc/37/27/58/447372758.db2.gz WICGGVDAWFSCBC-IRXDYDNUSA-N 2 1 340.512 1.397 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458445449 447372762 /nfs/dbraw/zinc/37/27/62/447372762.db2.gz WICGGVDAWFSCBC-IRXDYDNUSA-N 2 1 340.512 1.397 20 0 EDADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458445449 447372768 /nfs/dbraw/zinc/37/27/68/447372768.db2.gz WICGGVDAWFSCBC-IRXDYDNUSA-N 2 1 340.512 1.397 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000414967608 447379369 /nfs/dbraw/zinc/37/93/69/447379369.db2.gz QFENJIXXDLHGKX-RDJZCZTQSA-N 2 1 344.459 1.287 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CCC1 ZINC000426238378 447404708 /nfs/dbraw/zinc/40/47/08/447404708.db2.gz OCUCSCKJZWBDJB-HNNXBMFYSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000458541182 447405706 /nfs/dbraw/zinc/40/57/06/447405706.db2.gz RWZYUEMBBMJGCC-IRXDYDNUSA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000458541182 447405713 /nfs/dbraw/zinc/40/57/13/447405713.db2.gz RWZYUEMBBMJGCC-IRXDYDNUSA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000458541182 447405720 /nfs/dbraw/zinc/40/57/20/447405720.db2.gz RWZYUEMBBMJGCC-IRXDYDNUSA-N 2 1 340.512 1.110 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000415300948 447405784 /nfs/dbraw/zinc/40/57/84/447405784.db2.gz SFRHBEQKUOTCLL-OAHLLOKOSA-N 2 1 332.448 1.286 20 0 EDADMP Cc1cc(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)no1 ZINC000665639450 453778638 /nfs/dbraw/zinc/77/86/38/453778638.db2.gz YWBOKSMBSRRKFU-ZDUSSCGKSA-N 2 1 325.457 1.396 20 0 EDADMP Cc1cc(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)no1 ZINC000665639450 453778642 /nfs/dbraw/zinc/77/86/42/453778642.db2.gz YWBOKSMBSRRKFU-ZDUSSCGKSA-N 2 1 325.457 1.396 20 0 EDADMP C[NH+](C)C1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000422258824 447428038 /nfs/dbraw/zinc/42/80/38/447428038.db2.gz KOMBRIZNASFYSQ-UYSNPLJNSA-N 2 1 326.485 1.005 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCc1cn(C)cn1 ZINC000458620514 447427750 /nfs/dbraw/zinc/42/77/50/447427750.db2.gz NQNIXTQXSXEWPC-OAHLLOKOSA-N 2 1 329.448 1.782 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000458632902 447432499 /nfs/dbraw/zinc/43/24/99/447432499.db2.gz OIKXGBCDBABKKX-UIBIWLFHSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458632902 447432501 /nfs/dbraw/zinc/43/25/01/447432501.db2.gz OIKXGBCDBABKKX-UIBIWLFHSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458632902 447432503 /nfs/dbraw/zinc/43/25/03/447432503.db2.gz OIKXGBCDBABKKX-UIBIWLFHSA-N 2 1 334.508 1.985 20 0 EDADMP CCN(C(=O)C(=O)NCCC[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000419828435 447436196 /nfs/dbraw/zinc/43/61/96/447436196.db2.gz CVWGSHXHVFWLIL-NVXWUHKLSA-N 2 1 346.475 1.135 20 0 EDADMP CC[N@H+](CCNC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1)C1CC1 ZINC000101978695 441164028 /nfs/dbraw/zinc/16/40/28/441164028.db2.gz AJIHKQIJOIFQOG-QGZVFWFLSA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@@H+](CCNC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1)C1CC1 ZINC000101978695 441164031 /nfs/dbraw/zinc/16/40/31/441164031.db2.gz AJIHKQIJOIFQOG-QGZVFWFLSA-N 2 1 340.512 1.517 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCCOc2ccccc2)CC1 ZINC000048057438 441255538 /nfs/dbraw/zinc/25/55/38/441255538.db2.gz NYZHRDKBJQXYJV-UHFFFAOYSA-N 2 1 333.476 1.988 20 0 EDADMP CC[NH+](CC)CCSCC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000081394609 441263661 /nfs/dbraw/zinc/26/36/61/441263661.db2.gz RHJTWBOMQHHUPD-UHFFFAOYSA-N 2 1 327.498 1.177 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000072974932 441282428 /nfs/dbraw/zinc/28/24/28/441282428.db2.gz SFTRLYWMFSJTBZ-HZPDHXFCSA-N 2 1 336.480 1.515 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000072974932 441282431 /nfs/dbraw/zinc/28/24/31/441282431.db2.gz SFTRLYWMFSJTBZ-HZPDHXFCSA-N 2 1 336.480 1.515 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000072974932 441282437 /nfs/dbraw/zinc/28/24/37/441282437.db2.gz SFTRLYWMFSJTBZ-HZPDHXFCSA-N 2 1 336.480 1.515 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000072974932 441282439 /nfs/dbraw/zinc/28/24/39/441282439.db2.gz SFTRLYWMFSJTBZ-HZPDHXFCSA-N 2 1 336.480 1.515 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000063178539 441316548 /nfs/dbraw/zinc/31/65/48/441316548.db2.gz MDIGWHASTYKLSW-CYBMUJFWSA-N 2 1 340.265 1.736 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2csc(Br)c2)C1 ZINC000063179768 441316780 /nfs/dbraw/zinc/31/67/80/441316780.db2.gz ZIZXFVKEAUFDKH-LLVKDONJSA-N 2 1 346.294 1.798 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2csc(Br)c2)C1 ZINC000063179768 441316785 /nfs/dbraw/zinc/31/67/85/441316785.db2.gz ZIZXFVKEAUFDKH-LLVKDONJSA-N 2 1 346.294 1.798 20 0 EDADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000050248403 441378558 /nfs/dbraw/zinc/37/85/58/441378558.db2.gz IDXJRFNFENRQCD-JTQLQIEISA-N 2 1 337.221 1.238 20 0 EDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000050248403 441378562 /nfs/dbraw/zinc/37/85/62/441378562.db2.gz IDXJRFNFENRQCD-JTQLQIEISA-N 2 1 337.221 1.238 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000084365243 441394136 /nfs/dbraw/zinc/39/41/36/441394136.db2.gz RZSFCIYBDOJGNE-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000084365243 441394142 /nfs/dbraw/zinc/39/41/42/441394142.db2.gz RZSFCIYBDOJGNE-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000107283997 441407735 /nfs/dbraw/zinc/40/77/35/441407735.db2.gz JPSMADYWVMCSNA-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000107283997 441407736 /nfs/dbraw/zinc/40/77/36/441407736.db2.gz JPSMADYWVMCSNA-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000107283997 441407737 /nfs/dbraw/zinc/40/77/37/441407737.db2.gz JPSMADYWVMCSNA-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccn1C ZINC000074922851 441479072 /nfs/dbraw/zinc/47/90/72/441479072.db2.gz FDXYNOCZXUZMQY-QGZVFWFLSA-N 2 1 335.496 1.583 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[NH+](CC(C)C)CC1 ZINC000074616569 441450776 /nfs/dbraw/zinc/45/07/76/441450776.db2.gz QJXPYBXNRHLVDC-UHFFFAOYSA-N 2 1 328.501 1.328 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000074616569 441450778 /nfs/dbraw/zinc/45/07/78/441450778.db2.gz QJXPYBXNRHLVDC-UHFFFAOYSA-N 2 1 328.501 1.328 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000074616569 441450780 /nfs/dbraw/zinc/45/07/80/441450780.db2.gz QJXPYBXNRHLVDC-UHFFFAOYSA-N 2 1 328.501 1.328 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000089592168 441562093 /nfs/dbraw/zinc/56/20/93/441562093.db2.gz BCEMTOOMGABWCL-KRWDZBQOSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+](CC)CCNC(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000054607293 441587016 /nfs/dbraw/zinc/58/70/16/441587016.db2.gz RBYQZPJKSBASJJ-UHFFFAOYSA-N 2 1 330.436 1.717 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)CC1 ZINC000066962093 441595134 /nfs/dbraw/zinc/59/51/34/441595134.db2.gz ZSTXVWPXXRXVCK-AWEZNQCLSA-N 2 1 335.452 1.158 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3nc(C)no3)C2)CC1 ZINC000066962093 441595137 /nfs/dbraw/zinc/59/51/37/441595137.db2.gz ZSTXVWPXXRXVCK-AWEZNQCLSA-N 2 1 335.452 1.158 20 0 EDADMP CC(C)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000067592470 441654657 /nfs/dbraw/zinc/65/46/57/441654657.db2.gz BUYRISXYACGYPO-MRXNPFEDSA-N 2 1 332.448 1.415 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000067592470 441654660 /nfs/dbraw/zinc/65/46/60/441654660.db2.gz BUYRISXYACGYPO-MRXNPFEDSA-N 2 1 332.448 1.415 20 0 EDADMP CC(C)[NH+](C)CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000067592470 441654663 /nfs/dbraw/zinc/65/46/63/441654663.db2.gz BUYRISXYACGYPO-MRXNPFEDSA-N 2 1 332.448 1.415 20 0 EDADMP CC(C)[NH+](C)CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000067592470 441654667 /nfs/dbraw/zinc/65/46/67/441654667.db2.gz BUYRISXYACGYPO-MRXNPFEDSA-N 2 1 332.448 1.415 20 0 EDADMP CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114459812 441658086 /nfs/dbraw/zinc/65/80/86/441658086.db2.gz CYICSDHCEMKJEV-IAGOWNOFSA-N 2 1 325.497 1.601 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000041717526 441669620 /nfs/dbraw/zinc/66/96/20/441669620.db2.gz RDJZPTXJTAILPZ-UHFFFAOYSA-N 2 1 334.464 1.533 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NCC[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000136828284 441726176 /nfs/dbraw/zinc/72/61/76/441726176.db2.gz BOYDSQFFJCTWFK-KRWDZBQOSA-N 2 1 345.491 1.954 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NCC[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000136828284 441726180 /nfs/dbraw/zinc/72/61/80/441726180.db2.gz BOYDSQFFJCTWFK-KRWDZBQOSA-N 2 1 345.491 1.954 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116438627 441821800 /nfs/dbraw/zinc/82/18/00/441821800.db2.gz OCERXLFZJVYPCR-CVEARBPZSA-N 2 1 341.544 1.288 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+](C)C1CCCC1)C[NH+]1CCOCC1 ZINC000159186813 441792576 /nfs/dbraw/zinc/79/25/76/441792576.db2.gz SFJRAKGPDCILCY-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)C[NH+]1CCOCC1 ZINC000159186813 441792579 /nfs/dbraw/zinc/79/25/79/441792579.db2.gz SFJRAKGPDCILCY-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP CCN1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000121902391 441807509 /nfs/dbraw/zinc/80/75/09/441807509.db2.gz WRWWYDGZHPFTKM-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000121902391 441807512 /nfs/dbraw/zinc/80/75/12/441807512.db2.gz WRWWYDGZHPFTKM-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NCCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000068515888 441811825 /nfs/dbraw/zinc/81/18/25/441811825.db2.gz AXFSRKNDUZSWOE-LJQANCHMSA-N 2 1 346.519 1.823 20 0 EDADMP CN(c1ccccc1C[N@@H+]1CCNC(=O)CC1)C1CC[NH+](C)CC1 ZINC000093101742 441857762 /nfs/dbraw/zinc/85/77/62/441857762.db2.gz RKNNPDVVMIHAAU-UHFFFAOYSA-N 2 1 330.476 1.539 20 0 EDADMP CN(c1ccccc1C[N@H+]1CCNC(=O)CC1)C1CC[NH+](C)CC1 ZINC000093101742 441857771 /nfs/dbraw/zinc/85/77/71/441857771.db2.gz RKNNPDVVMIHAAU-UHFFFAOYSA-N 2 1 330.476 1.539 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000122917198 441867573 /nfs/dbraw/zinc/86/75/73/441867573.db2.gz BMJGJMQTOCPABC-UHFFFAOYSA-N 2 1 335.496 1.805 20 0 EDADMP CC[C@@H](NC(=O)Cn1ccnc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123868605 441902520 /nfs/dbraw/zinc/90/25/20/441902520.db2.gz OCMHZXVMWWTSNU-MSOLQXFVSA-N 2 1 342.443 1.679 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]c(C)cc1=O ZINC000174458055 441926274 /nfs/dbraw/zinc/92/62/74/441926274.db2.gz ZILTXRQHBITKBD-OAHLLOKOSA-N 2 1 334.464 1.171 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000150732684 441939158 /nfs/dbraw/zinc/93/91/58/441939158.db2.gz FBQAKBLDWFEYLN-HKUYNNGSSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000150732684 441939163 /nfs/dbraw/zinc/93/91/63/441939163.db2.gz FBQAKBLDWFEYLN-HKUYNNGSSA-N 2 1 345.487 1.736 20 0 EDADMP O[C@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150814615 441955769 /nfs/dbraw/zinc/95/57/69/441955769.db2.gz KUODGLBYKDAURQ-CVEARBPZSA-N 2 1 348.443 1.573 20 0 EDADMP O[C@H](COc1ccc2c(c1)OCO2)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150814615 441955776 /nfs/dbraw/zinc/95/57/76/441955776.db2.gz KUODGLBYKDAURQ-CVEARBPZSA-N 2 1 348.443 1.573 20 0 EDADMP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000119868805 441967340 /nfs/dbraw/zinc/96/73/40/441967340.db2.gz UARCJULLVRQUCJ-LEOMRAHMSA-N 2 1 337.508 1.866 20 0 EDADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000163105095 442144873 /nfs/dbraw/zinc/14/48/73/442144873.db2.gz XODBRUZQHQXYAR-WNRNVDISSA-N 2 1 338.540 1.638 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000163105095 442144878 /nfs/dbraw/zinc/14/48/78/442144878.db2.gz XODBRUZQHQXYAR-WNRNVDISSA-N 2 1 338.540 1.638 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000163105095 442144884 /nfs/dbraw/zinc/14/48/84/442144884.db2.gz XODBRUZQHQXYAR-WNRNVDISSA-N 2 1 338.540 1.638 20 0 EDADMP COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000120873815 442145246 /nfs/dbraw/zinc/14/52/46/442145246.db2.gz GOHDYLAQXZZDGM-QGZVFWFLSA-N 2 1 331.460 1.476 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000164916778 442204999 /nfs/dbraw/zinc/20/49/99/442204999.db2.gz HJOIKUDTNSNTPU-QGZVFWFLSA-N 2 1 345.491 1.954 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000164916778 442205002 /nfs/dbraw/zinc/20/50/02/442205002.db2.gz HJOIKUDTNSNTPU-QGZVFWFLSA-N 2 1 345.491 1.954 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176320649 442210113 /nfs/dbraw/zinc/21/01/13/442210113.db2.gz HMZVTMSVJVRHGA-QGZVFWFLSA-N 2 1 349.479 1.335 20 0 EDADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C[C@H]1CCC[NH2+]1)CC2 ZINC000166531363 442217135 /nfs/dbraw/zinc/21/71/35/442217135.db2.gz XVPHCYPEHGCEDI-MRXNPFEDSA-N 2 1 347.459 1.320 20 0 EDADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C[C@H]1CCC[NH2+]1)CC2 ZINC000166531363 442217138 /nfs/dbraw/zinc/21/71/38/442217138.db2.gz XVPHCYPEHGCEDI-MRXNPFEDSA-N 2 1 347.459 1.320 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000167253842 442219705 /nfs/dbraw/zinc/21/97/05/442219705.db2.gz SNLDPKKKMFFYLP-ROUUACIJSA-N 2 1 333.476 1.954 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NCC2([NH+](C)C)CCOCC2)[C@H](C)C1 ZINC000168289724 442223951 /nfs/dbraw/zinc/22/39/51/442223951.db2.gz VYQQRNWLSNULJU-MSOLQXFVSA-N 2 1 341.540 1.824 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000168708276 442224908 /nfs/dbraw/zinc/22/49/08/442224908.db2.gz DHFDSZSCTLXASJ-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCN(C(N)=O)CC3)c2)CCO1 ZINC000153461399 442284025 /nfs/dbraw/zinc/28/40/25/442284025.db2.gz BLXXHXFZCJIEOX-OAHLLOKOSA-N 2 1 346.475 1.540 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCN(C(N)=O)CC3)c2)CCO1 ZINC000153461399 442284029 /nfs/dbraw/zinc/28/40/29/442284029.db2.gz BLXXHXFZCJIEOX-OAHLLOKOSA-N 2 1 346.475 1.540 20 0 EDADMP COC(=O)[C@H](CC(C)C)NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177057063 442291756 /nfs/dbraw/zinc/29/17/56/442291756.db2.gz GVHUVYPCYQARSG-KKUMJFAQSA-N 2 1 327.469 1.105 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)[C@H](C)C1 ZINC000153087375 442260453 /nfs/dbraw/zinc/26/04/53/442260453.db2.gz GFAGPBHLXYLPHA-RHSMWYFYSA-N 2 1 340.489 1.789 20 0 EDADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154241802 442328795 /nfs/dbraw/zinc/32/87/95/442328795.db2.gz HWWMZUUBRKIZLZ-CZUORRHYSA-N 2 1 341.883 1.589 20 0 EDADMP C[C@H](CNC(=O)C1CC[NH+](Cc2nccn2C)CC1)[N@H+](C)C1CC1 ZINC000171105255 442313110 /nfs/dbraw/zinc/31/31/10/442313110.db2.gz ILSUXIKRRCCODX-CQSZACIVSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H](CNC(=O)C1CC[NH+](Cc2nccn2C)CC1)[N@@H+](C)C1CC1 ZINC000171105255 442313111 /nfs/dbraw/zinc/31/31/11/442313111.db2.gz ILSUXIKRRCCODX-CQSZACIVSA-N 2 1 333.480 1.231 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000154967451 442367337 /nfs/dbraw/zinc/36/73/37/442367337.db2.gz BSXMUKGVARRGCR-QGZVFWFLSA-N 2 1 340.512 1.349 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000154967451 442367340 /nfs/dbraw/zinc/36/73/40/442367340.db2.gz BSXMUKGVARRGCR-QGZVFWFLSA-N 2 1 340.512 1.349 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000154967451 442367343 /nfs/dbraw/zinc/36/73/43/442367343.db2.gz BSXMUKGVARRGCR-QGZVFWFLSA-N 2 1 340.512 1.349 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000154997219 442370171 /nfs/dbraw/zinc/37/01/71/442370171.db2.gz XCUGPLAWBKZYPM-SFHVURJKSA-N 2 1 344.503 1.916 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+](CCO)C3CCCCC3)cn2)CC1 ZINC000155141777 442377671 /nfs/dbraw/zinc/37/76/71/442377671.db2.gz RIHXIKOPSPMQCK-UHFFFAOYSA-N 2 1 333.480 1.355 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+](CCO)C3CCCCC3)cn2)CC1 ZINC000155141777 442377675 /nfs/dbraw/zinc/37/76/75/442377675.db2.gz RIHXIKOPSPMQCK-UHFFFAOYSA-N 2 1 333.480 1.355 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000155548581 442407595 /nfs/dbraw/zinc/40/75/95/442407595.db2.gz ONARQEXVMJRMJF-QGZVFWFLSA-N 2 1 340.512 1.376 20 0 EDADMP CNC(=O)NC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000178391229 442429419 /nfs/dbraw/zinc/42/94/19/442429419.db2.gz YQVFXLQRAXVGHV-OAHLLOKOSA-N 2 1 338.496 1.809 20 0 EDADMP CC[NH+]1CCN([C@@H](C)CNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000155998343 442441451 /nfs/dbraw/zinc/44/14/51/442441451.db2.gz USNRWBQIXBZZKO-INIZCTEOSA-N 2 1 335.496 1.539 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1(C)C ZINC000188202539 442723760 /nfs/dbraw/zinc/72/37/60/442723760.db2.gz AQGYYXFDCIZNGI-HDMKZQKVSA-N 2 1 325.497 1.613 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182059531 442732552 /nfs/dbraw/zinc/73/25/52/442732552.db2.gz HMEIWZTZEOWPHR-MRXNPFEDSA-N 2 1 335.423 1.793 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000193547763 442752416 /nfs/dbraw/zinc/75/24/16/442752416.db2.gz OEBDVFOSJHGPSL-CALCHBBNSA-N 2 1 340.512 1.328 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000193547763 442752419 /nfs/dbraw/zinc/75/24/19/442752419.db2.gz OEBDVFOSJHGPSL-CALCHBBNSA-N 2 1 340.512 1.328 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000193546761 442752621 /nfs/dbraw/zinc/75/26/21/442752621.db2.gz BQGQWRZYZOUSHM-RYQLBKOJSA-N 2 1 330.476 1.232 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246585251 442794967 /nfs/dbraw/zinc/79/49/67/442794967.db2.gz CKBAHLQPNIIGED-IAGOWNOFSA-N 2 1 340.512 1.394 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000246672749 442800940 /nfs/dbraw/zinc/80/09/40/442800940.db2.gz GKNFLZXXIYLSJW-CABCVRRESA-N 2 1 336.484 1.687 20 0 EDADMP C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000193933011 442814683 /nfs/dbraw/zinc/81/46/83/442814683.db2.gz HFLSUIDGZFXZPK-UHFFFAOYSA-N 2 1 330.432 1.123 20 0 EDADMP C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000193933011 442814687 /nfs/dbraw/zinc/81/46/87/442814687.db2.gz HFLSUIDGZFXZPK-UHFFFAOYSA-N 2 1 330.432 1.123 20 0 EDADMP COC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182882991 442841163 /nfs/dbraw/zinc/84/11/63/442841163.db2.gz QAVVHANPHKEICA-SUMWQHHRSA-N 2 1 327.419 1.878 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000265656702 442866372 /nfs/dbraw/zinc/86/63/72/442866372.db2.gz YTGUHVSLVKDOKG-QGZVFWFLSA-N 2 1 334.464 1.268 20 0 EDADMP C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000247424248 442852804 /nfs/dbraw/zinc/85/28/04/442852804.db2.gz KYTZREUYFDISTO-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000247424248 442852809 /nfs/dbraw/zinc/85/28/09/442852809.db2.gz KYTZREUYFDISTO-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000247424248 442852815 /nfs/dbraw/zinc/85/28/15/442852815.db2.gz KYTZREUYFDISTO-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000247424248 442852819 /nfs/dbraw/zinc/85/28/19/442852819.db2.gz KYTZREUYFDISTO-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)Nc2ccc3nc(C)cn3c2)C[C@@H]1C ZINC000265738448 442901877 /nfs/dbraw/zinc/90/18/77/442901877.db2.gz VAEHPEVTNNEOFY-AWEZNQCLSA-N 2 1 331.420 1.827 20 0 EDADMP COCC[N@H+]1CCN(C(=O)Nc2ccc3nc(C)cn3c2)C[C@@H]1C ZINC000265738448 442901880 /nfs/dbraw/zinc/90/18/80/442901880.db2.gz VAEHPEVTNNEOFY-AWEZNQCLSA-N 2 1 331.420 1.827 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000268255446 442919702 /nfs/dbraw/zinc/91/97/02/442919702.db2.gz XXKMDSAFELVDOB-RHSMWYFYSA-N 2 1 331.460 1.840 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[NH+](C3CC3)CC2)C1 ZINC000194654057 442932364 /nfs/dbraw/zinc/93/23/64/442932364.db2.gz LQZCQRYZHDFXGU-KRWDZBQOSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000194654057 442932367 /nfs/dbraw/zinc/93/23/67/442932367.db2.gz LQZCQRYZHDFXGU-KRWDZBQOSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCC[N@H+](C3CC3)CC2)C1 ZINC000194654057 442932368 /nfs/dbraw/zinc/93/23/68/442932368.db2.gz LQZCQRYZHDFXGU-KRWDZBQOSA-N 2 1 338.496 1.223 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)C1(C)C ZINC000249050631 442947139 /nfs/dbraw/zinc/94/71/39/442947139.db2.gz AQGYYXFDCIZNGI-IIDMSEBBSA-N 2 1 325.497 1.613 20 0 EDADMP CCC1(CO)CC[NH+](CC(O)C[NH+]2CCC(CC)(CO)CC2)CC1 ZINC000194746609 442948309 /nfs/dbraw/zinc/94/83/09/442948309.db2.gz HOYQSLFWNQANAG-UHFFFAOYSA-N 2 1 342.524 1.316 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000189438717 442953868 /nfs/dbraw/zinc/95/38/68/442953868.db2.gz XCQITOZERPIMBX-HNNXBMFYSA-N 2 1 326.466 1.082 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000194832190 442960425 /nfs/dbraw/zinc/96/04/25/442960425.db2.gz SCVVWTAUXDORCB-UHFFFAOYSA-N 2 1 347.507 1.185 20 0 EDADMP CC[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000194832190 442960427 /nfs/dbraw/zinc/96/04/27/442960427.db2.gz SCVVWTAUXDORCB-UHFFFAOYSA-N 2 1 347.507 1.185 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000194832190 442960429 /nfs/dbraw/zinc/96/04/29/442960429.db2.gz SCVVWTAUXDORCB-UHFFFAOYSA-N 2 1 347.507 1.185 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](CO)O1 ZINC000249387462 442970469 /nfs/dbraw/zinc/97/04/69/442970469.db2.gz RHWWVFQIPJGJQI-APWZRJJASA-N 2 1 347.503 1.799 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](CO)O1 ZINC000249387462 442970473 /nfs/dbraw/zinc/97/04/73/442970473.db2.gz RHWWVFQIPJGJQI-APWZRJJASA-N 2 1 347.503 1.799 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000195020993 442976798 /nfs/dbraw/zinc/97/67/98/442976798.db2.gz GISZJLGSAQZTQD-CAOSSQGBSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000195020993 442976800 /nfs/dbraw/zinc/97/68/00/442976800.db2.gz GISZJLGSAQZTQD-CAOSSQGBSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000195020993 442976805 /nfs/dbraw/zinc/97/68/05/442976805.db2.gz GISZJLGSAQZTQD-CAOSSQGBSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000195020993 442976809 /nfs/dbraw/zinc/97/68/09/442976809.db2.gz GISZJLGSAQZTQD-CAOSSQGBSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000195130039 442987130 /nfs/dbraw/zinc/98/71/30/442987130.db2.gz ZPZPYIIYPOKYFL-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000195130039 442987135 /nfs/dbraw/zinc/98/71/35/442987135.db2.gz ZPZPYIIYPOKYFL-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000195130039 442987139 /nfs/dbraw/zinc/98/71/39/442987139.db2.gz ZPZPYIIYPOKYFL-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(SC)CC1 ZINC000195131174 442987761 /nfs/dbraw/zinc/98/77/61/442987761.db2.gz KPLDHAFMZBHQGP-OAHLLOKOSA-N 2 1 342.553 1.940 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000236806638 443148553 /nfs/dbraw/zinc/14/85/53/443148553.db2.gz PIBNNQYADVCFEK-IRXDYDNUSA-N 2 1 325.497 1.853 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000236684895 443144143 /nfs/dbraw/zinc/14/41/43/443144143.db2.gz OARKXCFDUPWUDI-MSOLQXFVSA-N 2 1 331.460 1.174 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000268774193 443104555 /nfs/dbraw/zinc/10/45/55/443104555.db2.gz QYXNILLYEGNPCY-AWEZNQCLSA-N 2 1 327.494 1.976 20 0 EDADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000268774193 443104560 /nfs/dbraw/zinc/10/45/60/443104560.db2.gz QYXNILLYEGNPCY-AWEZNQCLSA-N 2 1 327.494 1.976 20 0 EDADMP C[C@H]1C[C@H](NCCNS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000268805312 443113735 /nfs/dbraw/zinc/11/37/35/443113735.db2.gz MALSHVIZGJPTPU-GOEBONIOSA-N 2 1 325.478 1.178 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000268805312 443113745 /nfs/dbraw/zinc/11/37/45/443113745.db2.gz MALSHVIZGJPTPU-GOEBONIOSA-N 2 1 325.478 1.178 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1C ZINC000268807276 443115198 /nfs/dbraw/zinc/11/51/98/443115198.db2.gz LCWPIVREYVMUMY-ZWKOTPCHSA-N 3 1 331.508 1.666 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CCN1C ZINC000268807276 443115199 /nfs/dbraw/zinc/11/51/99/443115199.db2.gz LCWPIVREYVMUMY-ZWKOTPCHSA-N 2 1 331.508 1.666 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000236863593 443150775 /nfs/dbraw/zinc/15/07/75/443150775.db2.gz DEXMIPLHERFDDO-ULQDDVLXSA-N 2 1 341.496 1.008 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)c(C)c2)CC1 ZINC000328448389 318946876 /nfs/dbraw/zinc/94/68/76/318946876.db2.gz GKERXOZHMWXUCK-QAPCUYQASA-N 2 1 346.475 1.452 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000185680427 443238361 /nfs/dbraw/zinc/23/83/61/443238361.db2.gz HUWQMKOBUSFGJU-HOTGVXAUSA-N 2 1 327.517 1.042 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185680427 443238365 /nfs/dbraw/zinc/23/83/65/443238365.db2.gz HUWQMKOBUSFGJU-HOTGVXAUSA-N 2 1 327.517 1.042 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185680427 443238368 /nfs/dbraw/zinc/23/83/68/443238368.db2.gz HUWQMKOBUSFGJU-HOTGVXAUSA-N 2 1 327.517 1.042 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709312 443242345 /nfs/dbraw/zinc/24/23/45/443242345.db2.gz UJHQTRMEYFYKAL-NVXWUHKLSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709312 443242348 /nfs/dbraw/zinc/24/23/48/443242348.db2.gz UJHQTRMEYFYKAL-NVXWUHKLSA-N 2 1 347.507 1.621 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000269156438 443216905 /nfs/dbraw/zinc/21/69/05/443216905.db2.gz HODSMXLERZYEMR-UHFFFAOYSA-N 2 1 345.472 1.867 20 0 EDADMP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504227 319112703 /nfs/dbraw/zinc/11/27/03/319112703.db2.gz IGJXYSSVOURJOQ-CQSZACIVSA-N 2 1 342.443 1.436 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000382684014 319124659 /nfs/dbraw/zinc/12/46/59/319124659.db2.gz DHFDSZSCTLXASJ-ROUUACIJSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000382725163 319125179 /nfs/dbraw/zinc/12/51/79/319125179.db2.gz RKRANAJCPWKXGN-SJLPKXTDSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H](NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1)c1ccccc1Cl ZINC000397077749 319133739 /nfs/dbraw/zinc/13/37/39/319133739.db2.gz DNTLNAXEWUCKGE-GFCCVEGCSA-N 2 1 325.840 1.303 20 0 EDADMP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000269253941 443252239 /nfs/dbraw/zinc/25/22/39/443252239.db2.gz QWQCROJWLFIFLE-MSOLQXFVSA-N 2 1 331.460 1.536 20 0 EDADMP NC(=O)[C@@]1(O)CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411713326 319197959 /nfs/dbraw/zinc/19/79/59/319197959.db2.gz AASQWRSURXDVOK-LJQANCHMSA-N 2 1 331.460 1.485 20 0 EDADMP COCC(COC)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000411868678 319209876 /nfs/dbraw/zinc/20/98/76/319209876.db2.gz ZCAZDMNROUGGSU-KRWDZBQOSA-N 2 1 327.513 1.528 20 0 EDADMP COCC(COC)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000411868678 319209878 /nfs/dbraw/zinc/20/98/78/319209878.db2.gz ZCAZDMNROUGGSU-KRWDZBQOSA-N 2 1 327.513 1.528 20 0 EDADMP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414682683 319341619 /nfs/dbraw/zinc/34/16/19/319341619.db2.gz AELBKQAYDVQDTI-RDBSUJKOSA-N 2 1 325.478 1.715 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(C[NH2+]C3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000415085846 319346332 /nfs/dbraw/zinc/34/63/32/319346332.db2.gz REURGYACGVBBRE-GJZGRUSLSA-N 2 1 331.460 1.778 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415238556 319355528 /nfs/dbraw/zinc/35/55/28/319355528.db2.gz LSAIXTBLLGKSRF-CQSZACIVSA-N 2 1 334.464 1.581 20 0 EDADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+](C2CC2)C1 ZINC000415255170 319357081 /nfs/dbraw/zinc/35/70/81/319357081.db2.gz MDXLPVKQZGEAGO-ZDUSSCGKSA-N 2 1 330.432 1.027 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)c2C1 ZINC000415831715 319375656 /nfs/dbraw/zinc/37/56/56/319375656.db2.gz PCAZOXLPYZVUIL-IUODEOHRSA-N 2 1 330.432 1.156 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)c2C1 ZINC000415831715 319375658 /nfs/dbraw/zinc/37/56/58/319375658.db2.gz PCAZOXLPYZVUIL-IUODEOHRSA-N 2 1 330.432 1.156 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000415973751 319387052 /nfs/dbraw/zinc/38/70/52/319387052.db2.gz KCEDZCVTVIPHNN-NVXWUHKLSA-N 2 1 332.448 1.720 20 0 EDADMP C[C@H](CN1CCOCC1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246138874 443271800 /nfs/dbraw/zinc/27/18/00/443271800.db2.gz RWBMQHMXQMFASX-KURKYZTESA-N 2 1 339.524 1.528 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185813432 443262932 /nfs/dbraw/zinc/26/29/32/443262932.db2.gz YJCPWEJPHXENHB-IRXDYDNUSA-N 2 1 341.544 1.288 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000264479881 443305761 /nfs/dbraw/zinc/30/57/61/443305761.db2.gz HPGBBIXKHWJTQA-SFHVURJKSA-N 2 1 331.460 1.733 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCCC[NH2+]C2CC2)C[C@@H](C)O1 ZINC000416931093 319477257 /nfs/dbraw/zinc/47/72/57/319477257.db2.gz MBERBSZLRWXUMG-ZIAGYGMSSA-N 2 1 326.485 1.316 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000416945370 319482293 /nfs/dbraw/zinc/48/22/93/319482293.db2.gz WELJNPAURBEWKJ-HOTGVXAUSA-N 2 1 326.485 1.160 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000264586329 443335936 /nfs/dbraw/zinc/33/59/36/443335936.db2.gz VIMXCJIMIFDNRG-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000264586329 443335939 /nfs/dbraw/zinc/33/59/39/443335939.db2.gz VIMXCJIMIFDNRG-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000264586329 443335941 /nfs/dbraw/zinc/33/59/41/443335941.db2.gz VIMXCJIMIFDNRG-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH+](C)CC2)CC1 ZINC000269619399 443367261 /nfs/dbraw/zinc/36/72/61/443367261.db2.gz CQJJHNZLGNYRDT-OAHLLOKOSA-N 2 1 331.464 1.564 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2C[NH+](C)CCN2C)c1 ZINC000264760358 443411507 /nfs/dbraw/zinc/41/15/07/443411507.db2.gz LPQYIHFQVHVCBR-SFHVURJKSA-N 2 1 347.507 1.183 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000264760358 443411511 /nfs/dbraw/zinc/41/15/11/443411511.db2.gz LPQYIHFQVHVCBR-SFHVURJKSA-N 2 1 347.507 1.183 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000264760358 443411513 /nfs/dbraw/zinc/41/15/13/443411513.db2.gz LPQYIHFQVHVCBR-SFHVURJKSA-N 2 1 347.507 1.183 20 0 EDADMP CC[NH+](CC)CCCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264953295 443489278 /nfs/dbraw/zinc/48/92/78/443489278.db2.gz UZOSDYLBGCVYHK-LJQANCHMSA-N 2 1 346.519 1.823 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000265140269 443547574 /nfs/dbraw/zinc/54/75/74/443547574.db2.gz VKPWNIHFZKFLSB-SJLPKXTDSA-N 2 1 332.492 1.432 20 0 EDADMP COc1ccccc1N1CC[C@H]([NH+]2CCC(OCCC[NH3+])CC2)C1=O ZINC000430543839 319932723 /nfs/dbraw/zinc/93/27/23/319932723.db2.gz NETKRJFDEUQOLH-KRWDZBQOSA-N 2 1 347.459 1.630 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)OC ZINC000439169410 320040720 /nfs/dbraw/zinc/04/07/20/320040720.db2.gz NEPRZWWBGFULGQ-OAHLLOKOSA-N 2 1 349.541 1.089 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)OC ZINC000439169410 320040722 /nfs/dbraw/zinc/04/07/22/320040722.db2.gz NEPRZWWBGFULGQ-OAHLLOKOSA-N 2 1 349.541 1.089 20 0 EDADMP c1ncc(N2CC[NH+](C3CC3)CC2)nc1N1CC[NH+](C2CC2)CC1 ZINC000439172803 320041425 /nfs/dbraw/zinc/04/14/25/320041425.db2.gz SLYCXIYVLRLYIL-UHFFFAOYSA-N 2 1 328.464 1.045 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440861346 320084290 /nfs/dbraw/zinc/08/42/90/320084290.db2.gz QNURMCWYODLRNU-GPANFISMSA-N 2 1 326.485 1.127 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000447442906 320141990 /nfs/dbraw/zinc/14/19/90/320141990.db2.gz SUHSFLPLCBFQHX-QZTJIDSGSA-N 2 1 347.503 1.939 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)C[C@H](C)O1 ZINC000449741128 320203543 /nfs/dbraw/zinc/20/35/43/320203543.db2.gz IVLUEVLQHRSUSH-OHQAAIJDSA-N 2 1 343.471 1.730 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)C[C@H](C)O1 ZINC000449741128 320203544 /nfs/dbraw/zinc/20/35/44/320203544.db2.gz IVLUEVLQHRSUSH-OHQAAIJDSA-N 2 1 343.471 1.730 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC[C@@H]2OC)[C@H](C)C1 ZINC000453299175 320262586 /nfs/dbraw/zinc/26/25/86/320262586.db2.gz UEUSLPSNEGFQSR-OWSLCNJRSA-N 2 1 328.497 1.765 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)cn2cc[nH+]c12 ZINC000454063581 320280638 /nfs/dbraw/zinc/28/06/38/320280638.db2.gz AZQDFLBJIXHDOU-UHFFFAOYSA-N 2 1 343.431 1.572 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCC2(C)C)cn2cc[nH+]c12 ZINC000454063581 320280639 /nfs/dbraw/zinc/28/06/39/320280639.db2.gz AZQDFLBJIXHDOU-UHFFFAOYSA-N 2 1 343.431 1.572 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000457595999 320330065 /nfs/dbraw/zinc/33/00/65/320330065.db2.gz KDLFNJMBMDGGNG-SJORKVTESA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000457595999 320330066 /nfs/dbraw/zinc/33/00/66/320330066.db2.gz KDLFNJMBMDGGNG-SJORKVTESA-N 2 1 340.512 1.467 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000458457509 320337027 /nfs/dbraw/zinc/33/70/27/320337027.db2.gz MPPUAMJZRULLQJ-INIZCTEOSA-N 2 1 326.485 1.007 20 0 EDADMP CSC1(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH+](C)CC1 ZINC000458793420 320341673 /nfs/dbraw/zinc/34/16/73/320341673.db2.gz SLVBISXNCFJFSR-OAHLLOKOSA-N 2 1 342.553 1.845 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccncc1 ZINC000491348464 320369000 /nfs/dbraw/zinc/36/90/00/320369000.db2.gz FXIVFKZOXNTEPB-LKGOPFMKSA-N 2 1 330.476 1.969 20 0 EDADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276296968 443683034 /nfs/dbraw/zinc/68/30/34/443683034.db2.gz QAQGNIDVYACIEW-SFHVURJKSA-N 2 1 332.492 1.884 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000298591641 443809895 /nfs/dbraw/zinc/80/98/95/443809895.db2.gz ULWYENNRDULXBC-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298591641 443809899 /nfs/dbraw/zinc/80/98/99/443809899.db2.gz ULWYENNRDULXBC-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000298591641 443809903 /nfs/dbraw/zinc/80/99/03/443809903.db2.gz ULWYENNRDULXBC-SFHVURJKSA-N 2 1 348.491 1.528 20 0 EDADMP CC[N@H+](C)[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1ccccc1 ZINC000288652023 443945466 /nfs/dbraw/zinc/94/54/66/443945466.db2.gz YCPUFKOHZRENGH-QZTJIDSGSA-N 2 1 333.476 1.642 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1ccccc1 ZINC000288652023 443945470 /nfs/dbraw/zinc/94/54/70/443945470.db2.gz YCPUFKOHZRENGH-QZTJIDSGSA-N 2 1 333.476 1.642 20 0 EDADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000277236003 443945899 /nfs/dbraw/zinc/94/58/99/443945899.db2.gz PCSMIXHUBGLCSU-LSDHHAIUSA-N 2 1 345.443 1.060 20 0 EDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000277236003 443945902 /nfs/dbraw/zinc/94/59/02/443945902.db2.gz PCSMIXHUBGLCSU-LSDHHAIUSA-N 2 1 345.443 1.060 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)cn2cc[nH+]c12 ZINC000293197038 443948708 /nfs/dbraw/zinc/94/87/08/443948708.db2.gz YWNTZVZHFMPTSG-ZDUSSCGKSA-N 2 1 343.431 1.429 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cn2cc[nH+]c12 ZINC000293197038 443948712 /nfs/dbraw/zinc/94/87/12/443948712.db2.gz YWNTZVZHFMPTSG-ZDUSSCGKSA-N 2 1 343.431 1.429 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000285383479 443963205 /nfs/dbraw/zinc/96/32/05/443963205.db2.gz ZKMYCUYWJVXOJD-GBESFXJTSA-N 2 1 345.487 1.829 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)[N@H+](C)C1 ZINC000285383479 443963209 /nfs/dbraw/zinc/96/32/09/443963209.db2.gz ZKMYCUYWJVXOJD-GBESFXJTSA-N 2 1 345.487 1.829 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)[N@@H+](C)C1 ZINC000285383479 443963214 /nfs/dbraw/zinc/96/32/14/443963214.db2.gz ZKMYCUYWJVXOJD-GBESFXJTSA-N 2 1 345.487 1.829 20 0 EDADMP COC[C@@H]1C[N@H+](CCCN2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000285364907 443957126 /nfs/dbraw/zinc/95/71/26/443957126.db2.gz QWEJLFWIYFKWJI-ICSRJNTNSA-N 2 1 347.503 1.934 20 0 EDADMP COC[C@@H]1C[N@@H+](CCCN2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000285364907 443957128 /nfs/dbraw/zinc/95/71/28/443957128.db2.gz QWEJLFWIYFKWJI-ICSRJNTNSA-N 2 1 347.503 1.934 20 0 EDADMP CCC[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CCOC ZINC000285717431 444083679 /nfs/dbraw/zinc/08/36/79/444083679.db2.gz SBFSODMPLDNAJD-KRWDZBQOSA-N 2 1 330.432 1.907 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000562768217 321075673 /nfs/dbraw/zinc/07/56/73/321075673.db2.gz YSUPYMHRGGFVSP-CQSZACIVSA-N 2 1 346.475 1.641 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000564911126 321156182 /nfs/dbraw/zinc/15/61/82/321156182.db2.gz USANGHOSTVBVOG-SFHVURJKSA-N 2 1 330.476 1.017 20 0 EDADMP CN(Cc1cnc[nH]1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000565244825 321178899 /nfs/dbraw/zinc/17/88/99/321178899.db2.gz JEQMQIPRKKLYCF-INIZCTEOSA-N 2 1 341.415 1.556 20 0 EDADMP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000299592859 444089542 /nfs/dbraw/zinc/08/95/42/444089542.db2.gz WNZJRUIDGLZOSA-IBGZPJMESA-N 2 1 344.503 1.535 20 0 EDADMP O=C(NCC1CC[NH2+]CC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000565881982 321204969 /nfs/dbraw/zinc/20/49/69/321204969.db2.gz UPQIREHDSMLEJZ-UHFFFAOYSA-N 2 1 330.476 1.556 20 0 EDADMP CC[NH+](CC)CCNC(=O)c1ccc(OCc2noc(C[NH3+])n2)cc1 ZINC000567884259 321265057 /nfs/dbraw/zinc/26/50/57/321265057.db2.gz RJWHIBNYUBUFGH-UHFFFAOYSA-N 2 1 347.419 1.179 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000568288198 321286195 /nfs/dbraw/zinc/28/61/95/321286195.db2.gz XBUSLUJPFYPAGM-RTBURBONSA-N 2 1 344.503 1.944 20 0 EDADMP C[N@@H+](CCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C1CCCC1 ZINC000568846123 321308124 /nfs/dbraw/zinc/30/81/24/321308124.db2.gz SDDOZPJODRVZLZ-CQSZACIVSA-N 2 1 331.464 1.894 20 0 EDADMP Cn1cc([C@@H]2C[N@H+](CCCc3c[nH+]cn3C)CC23CCOCC3)cn1 ZINC000569864001 321330688 /nfs/dbraw/zinc/33/06/88/321330688.db2.gz RXXPDWVYWCVNRO-SFHVURJKSA-N 2 1 343.475 1.982 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](CCCc3c[nH+]cn3C)CC23CCOCC3)cn1 ZINC000569864001 321330689 /nfs/dbraw/zinc/33/06/89/321330689.db2.gz RXXPDWVYWCVNRO-SFHVURJKSA-N 2 1 343.475 1.982 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)COc1cccc2[nH]ccc21 ZINC000569921509 321331758 /nfs/dbraw/zinc/33/17/58/321331758.db2.gz VSDGGEVRPRPDGQ-HOCLYGCPSA-N 2 1 329.444 1.982 20 0 EDADMP CCN1CCN([C@@H]2CCN(C(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000570043452 321336119 /nfs/dbraw/zinc/33/61/19/321336119.db2.gz XRJRTVXFRLYAFP-OKZBNKHCSA-N 2 1 336.524 1.251 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)N1CCO[C@@H](CC)C1 ZINC000571429295 321386730 /nfs/dbraw/zinc/38/67/30/321386730.db2.gz MKGSXDSBOQIWFI-ULQDDVLXSA-N 2 1 325.497 1.866 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000571439312 321386998 /nfs/dbraw/zinc/38/69/98/321386998.db2.gz CYTRABLZEIQHHI-SFHVURJKSA-N 2 1 335.492 1.620 20 0 EDADMP CCN(C(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)c1ccccc1 ZINC000289483753 444155488 /nfs/dbraw/zinc/15/54/88/444155488.db2.gz RXJMOOMQEDPSQJ-UHFFFAOYSA-N 2 1 334.508 1.855 20 0 EDADMP CCN(C(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1ccccc1 ZINC000289483753 444155490 /nfs/dbraw/zinc/15/54/90/444155490.db2.gz RXJMOOMQEDPSQJ-UHFFFAOYSA-N 2 1 334.508 1.855 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000574904556 321506929 /nfs/dbraw/zinc/50/69/29/321506929.db2.gz DYOWNVYPHMQYRN-CRAIPNDOSA-N 2 1 346.475 1.681 20 0 EDADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000305116339 444259086 /nfs/dbraw/zinc/25/90/86/444259086.db2.gz BRKJEPKXVBKWHV-HOTGVXAUSA-N 2 1 339.480 1.839 20 0 EDADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000305116339 444259087 /nfs/dbraw/zinc/25/90/87/444259087.db2.gz BRKJEPKXVBKWHV-HOTGVXAUSA-N 2 1 339.480 1.839 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCSCC3)ncn2)C1 ZINC000302828091 444225928 /nfs/dbraw/zinc/22/59/28/444225928.db2.gz IIWTXMOJJDTEGS-LSDHHAIUSA-N 2 1 333.505 1.950 20 0 EDADMP COc1ccc([C@@H](C)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1O ZINC000289997025 444228578 /nfs/dbraw/zinc/22/85/78/444228578.db2.gz YSWPAPQLGKMONU-ZBFHGGJFSA-N 2 1 349.475 1.994 20 0 EDADMP COc1ccc([C@@H](C)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1O ZINC000289997025 444228580 /nfs/dbraw/zinc/22/85/80/444228580.db2.gz YSWPAPQLGKMONU-ZBFHGGJFSA-N 2 1 349.475 1.994 20 0 EDADMP COc1ccc([C@H](C)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1O ZINC000289997020 444228785 /nfs/dbraw/zinc/22/87/85/444228785.db2.gz YSWPAPQLGKMONU-HOCLYGCPSA-N 2 1 349.475 1.994 20 0 EDADMP COc1ccc([C@H](C)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1O ZINC000289997020 444228786 /nfs/dbraw/zinc/22/87/86/444228786.db2.gz YSWPAPQLGKMONU-HOCLYGCPSA-N 2 1 349.475 1.994 20 0 EDADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303273729 444236004 /nfs/dbraw/zinc/23/60/04/444236004.db2.gz KIGOPZQHKBVOJR-IRXDYDNUSA-N 2 1 341.540 1.904 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)Cn1cccn1 ZINC000310816971 444293004 /nfs/dbraw/zinc/29/30/04/444293004.db2.gz JEQNRQAXAJGVHC-YSTOQKLRSA-N 2 1 340.471 1.744 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[N@H+]1CCc2ccccc2C1 ZINC000337794247 444411492 /nfs/dbraw/zinc/41/14/92/444411492.db2.gz DNYNIEIABAUMJA-QYZOEREBSA-N 2 1 345.487 1.692 20 0 EDADMP Cc1cc(N2CC[C@@H]([N@@H+]3CC[C@@H](Oc4ccncc4)C3)C2=O)n(C)n1 ZINC000328672879 444424153 /nfs/dbraw/zinc/42/41/53/444424153.db2.gz OQINZZPZOMGDEC-HZPDHXFCSA-N 2 1 341.415 1.382 20 0 EDADMP Cc1cc(N2CC[C@@H]([N@H+]3CC[C@@H](Oc4ccncc4)C3)C2=O)n(C)n1 ZINC000328672879 444424157 /nfs/dbraw/zinc/42/41/57/444424157.db2.gz OQINZZPZOMGDEC-HZPDHXFCSA-N 2 1 341.415 1.382 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+]C[C@H](O)C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000580064999 322004205 /nfs/dbraw/zinc/00/42/05/322004205.db2.gz FZWFNNBZSAJBEQ-CVEARBPZSA-N 2 1 345.409 1.878 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000580410391 322046647 /nfs/dbraw/zinc/04/66/47/322046647.db2.gz FTYWJKAAZQINBE-ZDUSSCGKSA-N 2 1 336.411 1.314 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[NH+](C)C ZINC000580539595 322063435 /nfs/dbraw/zinc/06/34/35/322063435.db2.gz VIQJOWQVPZQHGQ-PVAVHDDUSA-N 2 1 346.475 1.691 20 0 EDADMP OC(C[NH+]1CCCC[C@@H]1C1(O)CC1)C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000580818992 322098724 /nfs/dbraw/zinc/09/87/24/322098724.db2.gz IBGNSEVXUFVFTD-IAGOWNOFSA-N 2 1 338.492 1.106 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000581001237 322122529 /nfs/dbraw/zinc/12/25/29/322122529.db2.gz HNPUOOKLQPDZEV-NXHRZFHOSA-N 2 1 345.491 1.106 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CCCC2)CC1 ZINC000581021042 322126330 /nfs/dbraw/zinc/12/63/30/322126330.db2.gz QZXPYMRYMMFOEY-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1CC2(C[N@H+]1CC(=O)NCCOc1ccccc1)CC[NH2+]CC2 ZINC000581423861 322175380 /nfs/dbraw/zinc/17/53/80/322175380.db2.gz PSWUQCAZBXGZCR-INIZCTEOSA-N 2 1 331.460 1.646 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000332312888 444509437 /nfs/dbraw/zinc/50/94/37/444509437.db2.gz TZXQWMHJPQTHDU-JOCBIADPSA-N 2 1 330.476 1.886 20 0 EDADMP Cc1nn(-c2ccncc2)cc1CN1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000329554895 444627177 /nfs/dbraw/zinc/62/71/77/444627177.db2.gz GXMZVVGWPCFCTQ-AWEZNQCLSA-N 2 1 326.360 1.152 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000340963339 444600888 /nfs/dbraw/zinc/60/08/88/444600888.db2.gz JWLJRAVXQHXCJO-BRWVUGGUSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000340963339 444600891 /nfs/dbraw/zinc/60/08/91/444600891.db2.gz JWLJRAVXQHXCJO-BRWVUGGUSA-N 2 1 340.512 1.515 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH+](C)CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000338272684 444602792 /nfs/dbraw/zinc/60/27/92/444602792.db2.gz FDGQYJFMHIPMQO-YOEHRIQHSA-N 2 1 329.444 1.945 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000338272684 444602794 /nfs/dbraw/zinc/60/27/94/444602794.db2.gz FDGQYJFMHIPMQO-YOEHRIQHSA-N 2 1 329.444 1.945 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000338272684 444602797 /nfs/dbraw/zinc/60/27/97/444602797.db2.gz FDGQYJFMHIPMQO-YOEHRIQHSA-N 2 1 329.444 1.945 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000338272684 444602800 /nfs/dbraw/zinc/60/28/00/444602800.db2.gz FDGQYJFMHIPMQO-YOEHRIQHSA-N 2 1 329.444 1.945 20 0 EDADMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000343842004 444622025 /nfs/dbraw/zinc/62/20/25/444622025.db2.gz AERUTYQUEJZPPL-AEGPPILISA-N 2 1 327.419 1.707 20 0 EDADMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000343842004 444622027 /nfs/dbraw/zinc/62/20/27/444622027.db2.gz AERUTYQUEJZPPL-AEGPPILISA-N 2 1 327.419 1.707 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000338312970 444625416 /nfs/dbraw/zinc/62/54/16/444625416.db2.gz GALIDZVBFPFGQV-CVEARBPZSA-N 2 1 329.510 1.218 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000338312970 444625420 /nfs/dbraw/zinc/62/54/20/444625420.db2.gz GALIDZVBFPFGQV-CVEARBPZSA-N 2 1 329.510 1.218 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)[C@H]2C1 ZINC000333306140 444655931 /nfs/dbraw/zinc/65/59/31/444655931.db2.gz KYCQTUXCSVDBFT-MRRJBJDNSA-N 2 1 329.448 1.456 20 0 EDADMP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCC[NH+]1CCSCC1 ZINC000343990749 444713312 /nfs/dbraw/zinc/71/33/12/444713312.db2.gz JTMACMZQMZBWPN-LSDHHAIUSA-N 2 1 326.510 1.303 20 0 EDADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCC[NH+]1CCSCC1 ZINC000343990749 444713314 /nfs/dbraw/zinc/71/33/14/444713314.db2.gz JTMACMZQMZBWPN-LSDHHAIUSA-N 2 1 326.510 1.303 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000333936849 444723105 /nfs/dbraw/zinc/72/31/05/444723105.db2.gz KXRCHTFLOQCURP-MHORFTMASA-N 2 1 328.460 1.750 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000333949554 444726716 /nfs/dbraw/zinc/72/67/16/444726716.db2.gz XKJCKQPIVYBVPM-HIFRSBDPSA-N 2 1 336.505 1.936 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000333949554 444726719 /nfs/dbraw/zinc/72/67/19/444726719.db2.gz XKJCKQPIVYBVPM-HIFRSBDPSA-N 2 1 336.505 1.936 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1CCOC ZINC000344018186 444731075 /nfs/dbraw/zinc/73/10/75/444731075.db2.gz VJRRUFZLXGUEKD-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1CCOC ZINC000344018186 444731079 /nfs/dbraw/zinc/73/10/79/444731079.db2.gz VJRRUFZLXGUEKD-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000341213736 444732458 /nfs/dbraw/zinc/73/24/58/444732458.db2.gz OSZASERXLZBURI-IAGOWNOFSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCOC)C1)c1ccccc1 ZINC000341273540 444756870 /nfs/dbraw/zinc/75/68/70/444756870.db2.gz BURVFJFDOHTXPW-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000344070288 444764927 /nfs/dbraw/zinc/76/49/27/444764927.db2.gz UZQIWOZOYPAFOY-OALUTQOASA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000344070288 444764931 /nfs/dbraw/zinc/76/49/31/444764931.db2.gz UZQIWOZOYPAFOY-OALUTQOASA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000342685019 444812507 /nfs/dbraw/zinc/81/25/07/444812507.db2.gz BBEFIXHNEUVUJT-SCTDSRPQSA-N 2 1 344.503 1.511 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000342685019 444812508 /nfs/dbraw/zinc/81/25/08/444812508.db2.gz BBEFIXHNEUVUJT-SCTDSRPQSA-N 2 1 344.503 1.511 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)C1 ZINC000341407573 444814516 /nfs/dbraw/zinc/81/45/16/444814516.db2.gz MXEDBDZNURQUOG-INIZCTEOSA-N 2 1 349.479 1.306 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342764437 444854941 /nfs/dbraw/zinc/85/49/41/444854941.db2.gz HRGNUBNWCUAGFR-UHFFFAOYSA-N 2 1 333.476 1.537 20 0 EDADMP CC(C)[C@@H](C(=O)NCCNc1cc[nH+]cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000342772461 444860008 /nfs/dbraw/zinc/86/00/08/444860008.db2.gz AAFIKPRJXODTDF-INMHGKMJSA-N 2 1 334.464 1.165 20 0 EDADMP COC1(CC[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)CCC1 ZINC000338969110 444961350 /nfs/dbraw/zinc/96/13/50/444961350.db2.gz OJZLFLUWBBZHTF-GOSISDBHSA-N 2 1 339.524 1.672 20 0 EDADMP Cc1ccc(NC(=O)C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c(C)n1 ZINC000341833623 445024772 /nfs/dbraw/zinc/02/47/72/445024772.db2.gz HRHDGJIREJKPLB-IIYDPXPESA-N 2 1 344.459 1.826 20 0 EDADMP C[N@@H+](CC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@@H]1CCSC1 ZINC000344454425 444983684 /nfs/dbraw/zinc/98/36/84/444983684.db2.gz MNRFKTRGMJYHLN-USXIJHARSA-N 2 1 337.533 1.899 20 0 EDADMP C[NH+](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CCSC1 ZINC000344454425 444983687 /nfs/dbraw/zinc/98/36/87/444983687.db2.gz MNRFKTRGMJYHLN-USXIJHARSA-N 2 1 337.533 1.899 20 0 EDADMP C[NH+](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@@H]1CCSC1 ZINC000344454425 444983693 /nfs/dbraw/zinc/98/36/93/444983693.db2.gz MNRFKTRGMJYHLN-USXIJHARSA-N 2 1 337.533 1.899 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000344546874 445050713 /nfs/dbraw/zinc/05/07/13/445050713.db2.gz SCMZRATXYKGBKS-KRWDZBQOSA-N 2 1 342.528 1.717 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000341906896 445065353 /nfs/dbraw/zinc/06/53/53/445065353.db2.gz YKYFRDQPYMFLPU-GJYPPUQNSA-N 2 1 345.487 1.977 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000341906896 445065356 /nfs/dbraw/zinc/06/53/56/445065356.db2.gz YKYFRDQPYMFLPU-GJYPPUQNSA-N 2 1 345.487 1.977 20 0 EDADMP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+](CC)CC ZINC000337342517 445039167 /nfs/dbraw/zinc/03/91/67/445039167.db2.gz WCZABQLNAIERQW-INIZCTEOSA-N 2 1 327.513 1.924 20 0 EDADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337560486 445137637 /nfs/dbraw/zinc/13/76/37/445137637.db2.gz SAOXZZKBLHKGFO-FUHWJXTLSA-N 2 1 345.491 1.782 20 0 EDADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000343251170 445161828 /nfs/dbraw/zinc/16/18/28/445161828.db2.gz KWXKSNJGBMSILT-XHSDSOJGSA-N 2 1 335.448 1.455 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342114961 445179563 /nfs/dbraw/zinc/17/95/63/445179563.db2.gz XKSRWYRQRMUXEB-YXMSTPNBSA-N 2 1 336.480 1.450 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342114961 445179565 /nfs/dbraw/zinc/17/95/65/445179565.db2.gz XKSRWYRQRMUXEB-YXMSTPNBSA-N 2 1 336.480 1.450 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343374851 445212132 /nfs/dbraw/zinc/21/21/32/445212132.db2.gz UTOVTVUYFIEHLL-MJGOQNOKSA-N 2 1 349.523 1.505 20 0 EDADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCO1 ZINC000346694772 445223350 /nfs/dbraw/zinc/22/33/50/445223350.db2.gz WDKHDIVKYTVZAQ-XDNAFOTISA-N 2 1 337.508 1.772 20 0 EDADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CCC[N@@H+]1C ZINC000343465384 445227588 /nfs/dbraw/zinc/22/75/88/445227588.db2.gz UYCFTGGJQGUAMC-GOEBONIOSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CCC[N@H+]1C ZINC000343465384 445227590 /nfs/dbraw/zinc/22/75/90/445227590.db2.gz UYCFTGGJQGUAMC-GOEBONIOSA-N 2 1 333.480 1.231 20 0 EDADMP CC[C@H](C(=O)NC[C@@H]1OCC[N@H+](CC)[C@@H]1c1ccccc1)[NH+](C)C ZINC000347492750 445239773 /nfs/dbraw/zinc/23/97/73/445239773.db2.gz VQWMBXIEBSTDCE-FGTMMUONSA-N 2 1 333.476 1.905 20 0 EDADMP CC[C@H](C(=O)NC[C@@H]1OCC[N@@H+](CC)[C@@H]1c1ccccc1)[NH+](C)C ZINC000347492750 445239775 /nfs/dbraw/zinc/23/97/75/445239775.db2.gz VQWMBXIEBSTDCE-FGTMMUONSA-N 2 1 333.476 1.905 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC2(C[NH+](C)C)CCCC2)[N@@H+](C)C1 ZINC000347957702 445258285 /nfs/dbraw/zinc/25/82/85/445258285.db2.gz KOXXQMQUPVJPBY-HZPDHXFCSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H]([NH2+][C@@H]1COC[C@H]1n1ccnn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348516167 445310680 /nfs/dbraw/zinc/31/06/80/445310680.db2.gz QANHKAZBLZYSDO-GDAAHCPNSA-N 2 1 341.459 1.718 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343640204 445276743 /nfs/dbraw/zinc/27/67/43/445276743.db2.gz LWPQPPSELSTQLA-MOPGFXCFSA-N 2 1 342.487 1.157 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C)N1CCOCC1 ZINC000343654121 445284865 /nfs/dbraw/zinc/28/48/65/445284865.db2.gz NNQIWLPRZATGQX-JYJNAYRXSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C)[NH+]1CCOCC1 ZINC000343654121 445284868 /nfs/dbraw/zinc/28/48/68/445284868.db2.gz NNQIWLPRZATGQX-JYJNAYRXSA-N 2 1 326.485 1.125 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)c2sccc2C[NH+](C)C)[N@@H+](C)C1 ZINC000348701325 445349421 /nfs/dbraw/zinc/34/94/21/445349421.db2.gz KADSXCJJNVOMJM-KGLIPLIRSA-N 2 1 325.478 1.601 20 0 EDADMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1cccc2nsnc21 ZINC000357078595 445411905 /nfs/dbraw/zinc/41/19/05/445411905.db2.gz LLUZCDRHADLWGX-CYBMUJFWSA-N 2 1 345.472 1.951 20 0 EDADMP [NH3+]CCOCC[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000357084364 445417438 /nfs/dbraw/zinc/41/74/38/445417438.db2.gz PWTBEXTWRLTKNE-UHFFFAOYSA-N 2 1 325.840 1.463 20 0 EDADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC1)CC1CC1 ZINC000357092462 445423570 /nfs/dbraw/zinc/42/35/70/445423570.db2.gz YOEUMNPMWNVXPC-CQSZACIVSA-N 2 1 338.496 1.665 20 0 EDADMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)N1CC(=O)Nc2ccccc21 ZINC000357102042 445429254 /nfs/dbraw/zinc/42/92/54/445429254.db2.gz HVGLJYUKWIXHHL-OAHLLOKOSA-N 2 1 342.443 1.293 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362553948 445436124 /nfs/dbraw/zinc/43/61/24/445436124.db2.gz QXHCMAWPTLPPLP-KGLIPLIRSA-N 2 1 342.447 1.723 20 0 EDADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000352052213 445459979 /nfs/dbraw/zinc/45/99/79/445459979.db2.gz IZCZMSFGLCWIAI-IRXDYDNUSA-N 2 1 326.529 1.543 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)c1cnn(C)c1 ZINC000357169214 445464173 /nfs/dbraw/zinc/46/41/73/445464173.db2.gz CHBRBICTYIFJEW-IRXDYDNUSA-N 2 1 335.496 1.553 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000355514321 445466025 /nfs/dbraw/zinc/46/60/25/445466025.db2.gz CPDDDSYVYIIAQR-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)C1 ZINC000355514321 445466030 /nfs/dbraw/zinc/46/60/30/445466030.db2.gz CPDDDSYVYIIAQR-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)C1 ZINC000355514321 445466033 /nfs/dbraw/zinc/46/60/33/445466033.db2.gz CPDDDSYVYIIAQR-JKSUJKDBSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000360137678 445589177 /nfs/dbraw/zinc/58/91/77/445589177.db2.gz WDMALKTUGPLZRS-MRXNPFEDSA-N 2 1 341.544 1.383 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000360137678 445589184 /nfs/dbraw/zinc/58/91/84/445589184.db2.gz WDMALKTUGPLZRS-MRXNPFEDSA-N 2 1 341.544 1.383 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000360137678 445589187 /nfs/dbraw/zinc/58/91/87/445589187.db2.gz WDMALKTUGPLZRS-MRXNPFEDSA-N 2 1 341.544 1.383 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000360137678 445589191 /nfs/dbraw/zinc/58/91/91/445589191.db2.gz WDMALKTUGPLZRS-MRXNPFEDSA-N 2 1 341.544 1.383 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000360137678 445589194 /nfs/dbraw/zinc/58/91/94/445589194.db2.gz WDMALKTUGPLZRS-MRXNPFEDSA-N 2 1 341.544 1.383 20 0 EDADMP CN(CC[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000356038243 445583290 /nfs/dbraw/zinc/58/32/90/445583290.db2.gz LCFSGCSZWGMBAO-UHFFFAOYSA-N 2 1 334.464 1.222 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)CC[N@H+]1C ZINC000360044429 445542662 /nfs/dbraw/zinc/54/26/62/445542662.db2.gz FLINGOLFBOAPHE-GJZGRUSLSA-N 2 1 336.480 1.704 20 0 EDADMP COc1ccsc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000349826632 445690717 /nfs/dbraw/zinc/69/07/17/445690717.db2.gz FALVGFNPAMWSHB-OLZOCXBDSA-N 2 1 325.478 1.995 20 0 EDADMP COc1ccsc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000349826632 445690720 /nfs/dbraw/zinc/69/07/20/445690720.db2.gz FALVGFNPAMWSHB-OLZOCXBDSA-N 2 1 325.478 1.995 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000356248834 445698738 /nfs/dbraw/zinc/69/87/38/445698738.db2.gz FCASQMMTRLDIEM-JQHSSLGASA-N 2 1 333.476 1.903 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000356248834 445698742 /nfs/dbraw/zinc/69/87/42/445698742.db2.gz FCASQMMTRLDIEM-JQHSSLGASA-N 2 1 333.476 1.903 20 0 EDADMP CC(C)(C)c1n[nH]cc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353667265 445699270 /nfs/dbraw/zinc/69/92/70/445699270.db2.gz BUOYRTRUMVCRBI-UHFFFAOYSA-N 2 1 335.496 1.789 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1C ZINC000356263732 445706994 /nfs/dbraw/zinc/70/69/94/445706994.db2.gz RVWUFHSQMIXTHQ-QFBILLFUSA-N 2 1 341.459 1.871 20 0 EDADMP O=C(NCc1ccnc(-n2ccnc2)c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000363208372 445720757 /nfs/dbraw/zinc/72/07/57/445720757.db2.gz SNGSPUYGIYRNBH-OAHLLOKOSA-N 2 1 340.431 1.551 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356292825 445722132 /nfs/dbraw/zinc/72/21/32/445722132.db2.gz XFNUQRPNNBLBGQ-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000349941897 445727918 /nfs/dbraw/zinc/72/79/18/445727918.db2.gz ZRQGCTMRWUZQSX-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000353775246 445749930 /nfs/dbraw/zinc/74/99/30/445749930.db2.gz DXEZZOZNWXLPGR-MRXNPFEDSA-N 2 1 336.480 1.966 20 0 EDADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000361174816 445752070 /nfs/dbraw/zinc/75/20/70/445752070.db2.gz GNQNCAYRXXEITL-QAPCUYQASA-N 2 1 331.460 1.860 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[NH+](C)C1CC1 ZINC000356360988 445752679 /nfs/dbraw/zinc/75/26/79/445752679.db2.gz XPYSZYOBISZWLO-OAHLLOKOSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000356360988 445752683 /nfs/dbraw/zinc/75/26/83/445752683.db2.gz XPYSZYOBISZWLO-OAHLLOKOSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@H](CNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000356360988 445752688 /nfs/dbraw/zinc/75/26/88/445752688.db2.gz XPYSZYOBISZWLO-OAHLLOKOSA-N 3 1 339.528 1.137 20 0 EDADMP C[C@H](CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000356360988 445752693 /nfs/dbraw/zinc/75/26/93/445752693.db2.gz XPYSZYOBISZWLO-OAHLLOKOSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H](CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000356360988 445752698 /nfs/dbraw/zinc/75/26/98/445752698.db2.gz XPYSZYOBISZWLO-OAHLLOKOSA-N 2 1 339.528 1.137 20 0 EDADMP O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000363314337 445762847 /nfs/dbraw/zinc/76/28/47/445762847.db2.gz LKOLTQHFPSGCHY-MSOLQXFVSA-N 2 1 335.492 1.432 20 0 EDADMP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000353808468 445766047 /nfs/dbraw/zinc/76/60/47/445766047.db2.gz RMELKQQKVXCVIP-IAGOWNOFSA-N 2 1 333.480 1.089 20 0 EDADMP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000353808468 445766051 /nfs/dbraw/zinc/76/60/51/445766051.db2.gz RMELKQQKVXCVIP-IAGOWNOFSA-N 2 1 333.480 1.089 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000353810960 445766858 /nfs/dbraw/zinc/76/68/58/445766858.db2.gz MLZZRCDWEQEFDL-WMZOPIPTSA-N 2 1 335.492 1.478 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000356390843 445767202 /nfs/dbraw/zinc/76/72/02/445767202.db2.gz PUJNRJLSISTTSV-KRWDZBQOSA-N 2 1 326.529 1.590 20 0 EDADMP CCNC(=O)CC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358871394 445823048 /nfs/dbraw/zinc/82/30/48/445823048.db2.gz JUUWPHMKACIRHM-IYBDPMFKSA-N 2 1 341.496 1.103 20 0 EDADMP CCNC(=O)CC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358871394 445823052 /nfs/dbraw/zinc/82/30/52/445823052.db2.gz JUUWPHMKACIRHM-IYBDPMFKSA-N 2 1 341.496 1.103 20 0 EDADMP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000356498462 445823652 /nfs/dbraw/zinc/82/36/52/445823652.db2.gz RMXXIRGFCARCKA-ARFHVFGLSA-N 2 1 332.448 1.472 20 0 EDADMP C[N@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000350415709 445825851 /nfs/dbraw/zinc/82/58/51/445825851.db2.gz PRRZCFXBLZAMRF-SFHVURJKSA-N 2 1 330.476 1.856 20 0 EDADMP C[NH+]1CCCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000350415709 445825854 /nfs/dbraw/zinc/82/58/54/445825854.db2.gz PRRZCFXBLZAMRF-SFHVURJKSA-N 2 1 330.476 1.856 20 0 EDADMP C[NH+]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000350415709 445825856 /nfs/dbraw/zinc/82/58/56/445825856.db2.gz PRRZCFXBLZAMRF-SFHVURJKSA-N 2 1 330.476 1.856 20 0 EDADMP C[C@H](NC(=O)C1([NH+]2CCN(C)CC2)CCCC1)C(C)(C)C[NH+](C)C ZINC000363430019 445799918 /nfs/dbraw/zinc/79/99/18/445799918.db2.gz UNQJEVVAEGCRHP-INIZCTEOSA-N 2 1 338.540 1.639 20 0 EDADMP C[C@H](NC(=O)C1(N2CC[NH+](C)CC2)CCCC1)C(C)(C)C[NH+](C)C ZINC000363430019 445799921 /nfs/dbraw/zinc/79/99/21/445799921.db2.gz UNQJEVVAEGCRHP-INIZCTEOSA-N 2 1 338.540 1.639 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNCc1cccnc1 ZINC000363532642 445847025 /nfs/dbraw/zinc/84/70/25/445847025.db2.gz CIUXKSVMVJXBSR-UHFFFAOYSA-N 2 1 328.464 1.555 20 0 EDADMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1cccnc1 ZINC000363532642 445847028 /nfs/dbraw/zinc/84/70/28/445847028.db2.gz CIUXKSVMVJXBSR-UHFFFAOYSA-N 2 1 328.464 1.555 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH+](C(C)C)C1)C(C)C ZINC000356549542 445853935 /nfs/dbraw/zinc/85/39/35/445853935.db2.gz NNKARUMAWCWCMN-MRXNPFEDSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)C(C)C ZINC000356549542 445853941 /nfs/dbraw/zinc/85/39/41/445853941.db2.gz NNKARUMAWCWCMN-MRXNPFEDSA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)C(C)C ZINC000356549542 445853945 /nfs/dbraw/zinc/85/39/45/445853945.db2.gz NNKARUMAWCWCMN-MRXNPFEDSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)C1 ZINC000365962945 445931264 /nfs/dbraw/zinc/93/12/64/445931264.db2.gz OZWCKYUNLYAQSS-DLBZAZTESA-N 2 1 336.524 1.392 20 0 EDADMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)C1 ZINC000365962945 445931269 /nfs/dbraw/zinc/93/12/69/445931269.db2.gz OZWCKYUNLYAQSS-DLBZAZTESA-N 2 1 336.524 1.392 20 0 EDADMP Cc1c(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000361711796 445893331 /nfs/dbraw/zinc/89/33/31/445893331.db2.gz VJBXUMADHXNOSP-XJKSGUPXSA-N 2 1 346.479 1.210 20 0 EDADMP C[C@@H]1C[C@H](C(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000359116658 445960251 /nfs/dbraw/zinc/96/02/51/445960251.db2.gz PWOBXTXFEXJOIX-SZVBFZGTSA-N 2 1 345.487 1.252 20 0 EDADMP C[C@@H]1C[C@H](C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000359116658 445960260 /nfs/dbraw/zinc/96/02/60/445960260.db2.gz PWOBXTXFEXJOIX-SZVBFZGTSA-N 2 1 345.487 1.252 20 0 EDADMP C[C@@H]1C[C@H](C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000359116658 445960265 /nfs/dbraw/zinc/96/02/65/445960265.db2.gz PWOBXTXFEXJOIX-SZVBFZGTSA-N 2 1 345.487 1.252 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000350980365 445963518 /nfs/dbraw/zinc/96/35/18/445963518.db2.gz HQPQPQMNKFWXDA-ARFHVFGLSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])CCC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000373057243 445998505 /nfs/dbraw/zinc/99/85/05/445998505.db2.gz JXWAMCVYNHQQRO-PVAVHDDUSA-N 2 1 346.475 1.091 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000354178204 445974575 /nfs/dbraw/zinc/97/45/75/445974575.db2.gz JYKBFHAQCBRSHU-BRWVUGGUSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000354178204 445974580 /nfs/dbraw/zinc/97/45/80/445974580.db2.gz JYKBFHAQCBRSHU-BRWVUGGUSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000354178204 445974583 /nfs/dbraw/zinc/97/45/83/445974583.db2.gz JYKBFHAQCBRSHU-BRWVUGGUSA-N 2 1 340.512 1.061 20 0 EDADMP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCCc2[nH+]ccn21 ZINC000354188917 445984342 /nfs/dbraw/zinc/98/43/42/445984342.db2.gz KTPJEKVQACBYQK-MRXNPFEDSA-N 2 1 346.475 1.912 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000365106833 446027954 /nfs/dbraw/zinc/02/79/54/446027954.db2.gz DVDHZKURCFXWLP-OWCLPIDISA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@H](C)[NH+]1CCO ZINC000365106833 446027963 /nfs/dbraw/zinc/02/79/63/446027963.db2.gz DVDHZKURCFXWLP-OWCLPIDISA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H](C)[NH+]1CCO ZINC000365106833 446027969 /nfs/dbraw/zinc/02/79/69/446027969.db2.gz DVDHZKURCFXWLP-OWCLPIDISA-N 2 1 338.496 1.100 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)[nH+]c1 ZINC000369217912 446001744 /nfs/dbraw/zinc/00/17/44/446001744.db2.gz DHKMRYHCEAKQCU-IAGOWNOFSA-N 2 1 345.491 2.460 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)[nH+]c1 ZINC000369217912 446001747 /nfs/dbraw/zinc/00/17/47/446001747.db2.gz DHKMRYHCEAKQCU-IAGOWNOFSA-N 2 1 345.491 2.460 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)C2 ZINC000365083331 446013229 /nfs/dbraw/zinc/01/32/29/446013229.db2.gz SUYGQTKBTSLJQF-IUODEOHRSA-N 2 1 341.415 1.222 20 0 EDADMP Cc1ccc([C@H](NCC(=O)N2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000369289784 446050878 /nfs/dbraw/zinc/05/08/78/446050878.db2.gz FDQIVHNYEIECJR-FQEVSTJZSA-N 2 1 338.455 1.843 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000583386371 326063491 /nfs/dbraw/zinc/06/34/91/326063491.db2.gz UDPYTIFCOZLIPD-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1CCC[NH+](C(C)(C)CNC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583866866 326155120 /nfs/dbraw/zinc/15/51/20/326155120.db2.gz KHDXZGNKSPJYJR-BDXSIMOUSA-N 2 1 341.540 1.557 20 0 EDADMP C[C@@H]1CCC[NH+](C(C)(C)CNC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583866866 326155124 /nfs/dbraw/zinc/15/51/24/326155124.db2.gz KHDXZGNKSPJYJR-BDXSIMOUSA-N 2 1 341.540 1.557 20 0 EDADMP CCCCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000366173081 446060784 /nfs/dbraw/zinc/06/07/84/446060784.db2.gz XOAGEQRHMUCNSL-XWTMOSNGSA-N 2 1 328.497 1.643 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N3CCN(Cc4cccs4)CC3)C[C@H]12 ZINC000351479281 446079686 /nfs/dbraw/zinc/07/96/86/446079686.db2.gz REEGDQWOFHBQEP-BHYGNILZSA-N 2 1 348.516 1.061 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CCN(Cc4cccs4)CC3)C[C@H]12 ZINC000351479281 446079694 /nfs/dbraw/zinc/07/96/94/446079694.db2.gz REEGDQWOFHBQEP-BHYGNILZSA-N 2 1 348.516 1.061 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCCCSc3ccccc3)C[C@H]12 ZINC000351495998 446099744 /nfs/dbraw/zinc/09/97/44/446099744.db2.gz QTPPDGGVRBWJCF-HYVNUMGLSA-N 2 1 333.501 1.954 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCCCSc3ccccc3)C[C@H]12 ZINC000351495998 446099749 /nfs/dbraw/zinc/09/97/49/446099749.db2.gz QTPPDGGVRBWJCF-HYVNUMGLSA-N 2 1 333.501 1.954 20 0 EDADMP Cc1cccc([C@@H](CNc2cc[nH+]c(N(C)C)n2)N2CCOCC2)c1 ZINC000354311055 446102274 /nfs/dbraw/zinc/10/22/74/446102274.db2.gz JQGIQDXBPXXRLJ-QGZVFWFLSA-N 2 1 341.459 2.336 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)c1 ZINC000366280612 446125027 /nfs/dbraw/zinc/12/50/27/446125027.db2.gz HPKNZNPCYWHZBC-IBGZPJMESA-N 2 1 327.472 1.981 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)no1 ZINC000359402583 446202325 /nfs/dbraw/zinc/20/23/25/446202325.db2.gz SHPMITKYZNOEPH-CXAGYDPISA-N 2 1 332.448 1.825 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)no1 ZINC000359402583 446202330 /nfs/dbraw/zinc/20/23/30/446202330.db2.gz SHPMITKYZNOEPH-CXAGYDPISA-N 2 1 332.448 1.825 20 0 EDADMP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000366430521 446210092 /nfs/dbraw/zinc/21/00/92/446210092.db2.gz ILVPGGLRLXHAHW-JKSUJKDBSA-N 2 1 329.510 1.361 20 0 EDADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000366430521 446210096 /nfs/dbraw/zinc/21/00/96/446210096.db2.gz ILVPGGLRLXHAHW-JKSUJKDBSA-N 2 1 329.510 1.361 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC4(C3)CCOCC4)cn2)CC1 ZINC000370342755 446237350 /nfs/dbraw/zinc/23/73/50/446237350.db2.gz WXWIEBNDQDOUBM-UHFFFAOYSA-N 2 1 331.464 1.231 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC4(C3)CCOCC4)cn2)CC1 ZINC000370342755 446237352 /nfs/dbraw/zinc/23/73/52/446237352.db2.gz WXWIEBNDQDOUBM-UHFFFAOYSA-N 2 1 331.464 1.231 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3Cc4ccccc4[C@H]3O)C2)CC1 ZINC000362238506 446280037 /nfs/dbraw/zinc/28/00/37/446280037.db2.gz QUTHGTIROIDOES-MISYRCLQSA-N 2 1 329.488 1.745 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC[C@@H]3C[NH3+])c2)CCO1 ZINC000417273241 446337704 /nfs/dbraw/zinc/33/77/04/446337704.db2.gz WTGRTBAYOMOSPZ-CRAIPNDOSA-N 2 1 346.475 1.540 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC[C@@H]3C[NH3+])c2)CCO1 ZINC000417273241 446337706 /nfs/dbraw/zinc/33/77/06/446337706.db2.gz WTGRTBAYOMOSPZ-CRAIPNDOSA-N 2 1 346.475 1.540 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417501641 446356249 /nfs/dbraw/zinc/35/62/49/446356249.db2.gz JROXDWBJSLWVQL-RTBURBONSA-N 2 1 344.503 1.992 20 0 EDADMP C[N@@H+](CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CCCC1 ZINC000366801024 446357880 /nfs/dbraw/zinc/35/78/80/446357880.db2.gz VUQHOHOAPPDPBY-UHFFFAOYSA-N 2 1 348.495 2.146 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417511381 446358785 /nfs/dbraw/zinc/35/87/85/446358785.db2.gz YXYGDAUOCDMIEH-GBESFXJTSA-N 2 1 344.503 1.978 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000417514907 446359255 /nfs/dbraw/zinc/35/92/55/446359255.db2.gz KIBBCPLZEOACAD-QGZVFWFLSA-N 2 1 334.464 1.311 20 0 EDADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)o1 ZINC000366811610 446363612 /nfs/dbraw/zinc/36/36/12/446363612.db2.gz RKEYFNKGEGBKEE-KRWDZBQOSA-N 2 1 337.464 1.587 20 0 EDADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)o1 ZINC000366811610 446363616 /nfs/dbraw/zinc/36/36/16/446363616.db2.gz RKEYFNKGEGBKEE-KRWDZBQOSA-N 2 1 337.464 1.587 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000374349015 446364139 /nfs/dbraw/zinc/36/41/39/446364139.db2.gz ABEIEOQGHZAQDI-FUHWJXTLSA-N 2 1 326.444 1.829 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000374349015 446364143 /nfs/dbraw/zinc/36/41/43/446364143.db2.gz ABEIEOQGHZAQDI-FUHWJXTLSA-N 2 1 326.444 1.829 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417882728 446375546 /nfs/dbraw/zinc/37/55/46/446375546.db2.gz VJMYCTIJXGUYFG-COXVUDFISA-N 2 1 334.508 1.889 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1ccco1 ZINC000370668976 446378716 /nfs/dbraw/zinc/37/87/16/446378716.db2.gz CBWNONHTMZEOHE-OIISXLGYSA-N 2 1 335.448 1.375 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1ccco1 ZINC000370668976 446378720 /nfs/dbraw/zinc/37/87/20/446378720.db2.gz CBWNONHTMZEOHE-OIISXLGYSA-N 2 1 335.448 1.375 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000374803679 446400200 /nfs/dbraw/zinc/40/02/00/446400200.db2.gz WEOCHMTWSQCZSN-UHFFFAOYSA-N 2 1 340.414 1.666 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000417907421 446382024 /nfs/dbraw/zinc/38/20/24/446382024.db2.gz FAGOMEWWIQQWAS-KGLIPLIRSA-N 2 1 332.439 1.651 20 0 EDADMP CO[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)[C@H](C[NH3+])C1 ZINC000417946017 446394909 /nfs/dbraw/zinc/39/49/09/446394909.db2.gz YLWJGUSKOWMVIE-IXDOHACOSA-N 2 1 340.512 1.645 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)C[NH2+]CC2CC2)[C@@H](c2ccccc2)C1 ZINC000370768255 446427451 /nfs/dbraw/zinc/42/74/51/446427451.db2.gz YSJWIQIPFBYMMN-GOSISDBHSA-N 2 1 330.476 1.091 20 0 EDADMP Cc1c(Br)cccc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420287822 446452470 /nfs/dbraw/zinc/45/24/70/446452470.db2.gz GQEIEDRMOHRYCN-UHFFFAOYSA-N 2 1 340.265 1.621 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418082955 446434117 /nfs/dbraw/zinc/43/41/17/446434117.db2.gz YKPGRKOGYMHBRD-CVEARBPZSA-N 2 1 336.505 1.641 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418082955 446434122 /nfs/dbraw/zinc/43/41/22/446434122.db2.gz YKPGRKOGYMHBRD-CVEARBPZSA-N 2 1 336.505 1.641 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCC3(O)CCC3)CC2)C1 ZINC000411234761 446435579 /nfs/dbraw/zinc/43/55/79/446435579.db2.gz CLIKFWAGLMJUFK-QGZVFWFLSA-N 2 1 325.497 1.018 20 0 EDADMP CCCN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1CC[NH2+]CC1 ZINC000418179935 446448251 /nfs/dbraw/zinc/44/82/51/446448251.db2.gz YBSYKCRJVIJANY-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NC(C)(C)C[NH3+])[C@@H]1c1ccccc1 ZINC000418179845 446448317 /nfs/dbraw/zinc/44/83/17/446448317.db2.gz JXKQDWFZJSWDJB-HOTGVXAUSA-N 2 1 334.464 1.485 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)NC(C)(C)C[NH3+])[C@@H]1c1ccccc1 ZINC000418179845 446448321 /nfs/dbraw/zinc/44/83/21/446448321.db2.gz JXKQDWFZJSWDJB-HOTGVXAUSA-N 2 1 334.464 1.485 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@H](C)C[NH2+]1 ZINC000417989372 446409269 /nfs/dbraw/zinc/40/92/69/446409269.db2.gz JKYXJRPYELBLLK-IIDMSEBBSA-N 2 1 346.475 1.145 20 0 EDADMP Cn1c(Cl)cnc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000366923240 446412030 /nfs/dbraw/zinc/41/20/30/446412030.db2.gz RSIGJAUCJYCMEI-UHFFFAOYSA-N 2 1 325.888 1.722 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418007765 446413667 /nfs/dbraw/zinc/41/36/67/446413667.db2.gz GOKUKAWGRNZHFH-CVYDXHPNSA-N 2 1 330.476 1.899 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000376306713 446421646 /nfs/dbraw/zinc/42/16/46/446421646.db2.gz MOQRJUHPWVAZSG-UHFFFAOYSA-N 2 1 337.468 1.070 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000376306713 446421648 /nfs/dbraw/zinc/42/16/48/446421648.db2.gz MOQRJUHPWVAZSG-UHFFFAOYSA-N 2 1 337.468 1.070 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2c(C)cc(C)nc2C)C1 ZINC000411265264 446454295 /nfs/dbraw/zinc/45/42/95/446454295.db2.gz IRGJMMFQEFXBJD-HNNXBMFYSA-N 2 1 332.448 1.746 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418202985 446455402 /nfs/dbraw/zinc/45/54/02/446455402.db2.gz UVDYPTGAQNGXFY-HNNXBMFYSA-N 2 1 328.501 1.646 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420297241 446459907 /nfs/dbraw/zinc/45/99/07/446459907.db2.gz YHQLOCAEXLYACF-DOTOQJQBSA-N 2 1 339.505 1.507 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420297241 446459912 /nfs/dbraw/zinc/45/99/12/446459912.db2.gz YHQLOCAEXLYACF-DOTOQJQBSA-N 2 1 339.505 1.507 20 0 EDADMP Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000420313841 446478682 /nfs/dbraw/zinc/47/86/82/446478682.db2.gz JKNOJDXRVSGQEJ-SJLPKXTDSA-N 2 1 330.476 1.779 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+]CC3)cc2F)CC1 ZINC000376416219 446483735 /nfs/dbraw/zinc/48/37/35/446483735.db2.gz NCELTAQJYIRYNZ-MRXNPFEDSA-N 2 1 348.466 1.840 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CC[NH2+]C1 ZINC000423334854 446493216 /nfs/dbraw/zinc/49/32/16/446493216.db2.gz STEVYLUZQBJGQY-SUMWQHHRSA-N 2 1 337.489 1.237 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CC[NH2+]C1 ZINC000423334854 446493224 /nfs/dbraw/zinc/49/32/24/446493224.db2.gz STEVYLUZQBJGQY-SUMWQHHRSA-N 2 1 337.489 1.237 20 0 EDADMP CC[C@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CC[N@H+]1C[C@H](C)O ZINC000418311044 446494731 /nfs/dbraw/zinc/49/47/31/446494731.db2.gz FFPVPFBUWOAXMM-GJZGRUSLSA-N 2 1 326.485 1.135 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCCOc1ccc(F)cc1 ZINC000420327930 446495584 /nfs/dbraw/zinc/49/55/84/446495584.db2.gz LTLMCKQLAHTFHD-HOTGVXAUSA-N 2 1 349.450 1.642 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418335087 446505919 /nfs/dbraw/zinc/50/59/19/446505919.db2.gz YWBUTVDOAMOGHN-QGZVFWFLSA-N 2 1 333.480 1.685 20 0 EDADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCOc1ccc(F)cc1 ZINC000420336401 446506421 /nfs/dbraw/zinc/50/64/21/446506421.db2.gz MHNNFSPFDISXGQ-GASCZTMLSA-N 2 1 335.423 1.252 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418340459 446507127 /nfs/dbraw/zinc/50/71/27/446507127.db2.gz NQTAOJAIQLBFDT-WBVHZDCISA-N 2 1 331.464 1.439 20 0 EDADMP O=C1[C@H]([N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCCN1CC(F)(F)F ZINC000420339909 446511127 /nfs/dbraw/zinc/51/11/27/446511127.db2.gz ZIORPQLBISIWDW-MELADBBJSA-N 2 1 333.398 1.861 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCc3ccccc32)CC12CCOCC2 ZINC000420340281 446511281 /nfs/dbraw/zinc/51/12/81/446511281.db2.gz ZVEODMPIUXLWBF-MRXNPFEDSA-N 2 1 329.444 1.263 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccccc32)CC12CCOCC2 ZINC000420340281 446511282 /nfs/dbraw/zinc/51/12/82/446511282.db2.gz ZVEODMPIUXLWBF-MRXNPFEDSA-N 2 1 329.444 1.263 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341814 446513294 /nfs/dbraw/zinc/51/32/94/446513294.db2.gz QHWGLYMAOPLERK-AEGPPILISA-N 2 1 330.432 1.044 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418361455 446515311 /nfs/dbraw/zinc/51/53/11/446515311.db2.gz KYBCWHLJSGIAFO-CGTJXYLNSA-N 2 1 348.491 1.024 20 0 EDADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC[NH2+]C ZINC000418317775 446497302 /nfs/dbraw/zinc/49/73/02/446497302.db2.gz BCAMVWVXATZILF-MAUKXSAKSA-N 2 1 347.507 1.851 20 0 EDADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC[NH2+]C ZINC000418317775 446497309 /nfs/dbraw/zinc/49/73/09/446497309.db2.gz BCAMVWVXATZILF-MAUKXSAKSA-N 2 1 347.507 1.851 20 0 EDADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423533306 446563494 /nfs/dbraw/zinc/56/34/94/446563494.db2.gz XGCDCHMJYJUQQQ-CYBMUJFWSA-N 2 1 325.478 1.730 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000420389784 446564514 /nfs/dbraw/zinc/56/45/14/446564514.db2.gz YUEGOPITJDUOGA-IJEWVQPXSA-N 2 1 349.475 1.625 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000420389784 446564517 /nfs/dbraw/zinc/56/45/17/446564517.db2.gz YUEGOPITJDUOGA-IJEWVQPXSA-N 2 1 349.475 1.625 20 0 EDADMP C[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)[N@@H+](C)Cc1ccccc1 ZINC000423407626 446521964 /nfs/dbraw/zinc/52/19/64/446521964.db2.gz MUSXMHDCZXTVAL-HNNXBMFYSA-N 2 1 344.463 1.267 20 0 EDADMP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346891 446522164 /nfs/dbraw/zinc/52/21/64/446522164.db2.gz ZJVUGFAQCKLUNN-IAGOWNOFSA-N 2 1 345.487 1.975 20 0 EDADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348148 446522941 /nfs/dbraw/zinc/52/29/41/446522941.db2.gz JUVZBJVFIRUIIP-CZUORRHYSA-N 2 1 336.867 1.647 20 0 EDADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348148 446522946 /nfs/dbraw/zinc/52/29/46/446522946.db2.gz JUVZBJVFIRUIIP-CZUORRHYSA-N 2 1 336.867 1.647 20 0 EDADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000420348611 446526000 /nfs/dbraw/zinc/52/60/00/446526000.db2.gz MGZDVCOHIRGSHN-DLBZAZTESA-N 2 1 330.476 1.610 20 0 EDADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000420348611 446526001 /nfs/dbraw/zinc/52/60/01/446526001.db2.gz MGZDVCOHIRGSHN-DLBZAZTESA-N 2 1 330.476 1.610 20 0 EDADMP O=C1[C@@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1 ZINC000420350122 446527280 /nfs/dbraw/zinc/52/72/80/446527280.db2.gz RJOWESOFAWVPQS-SJORKVTESA-N 2 1 348.878 1.425 20 0 EDADMP O=C1[C@@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1 ZINC000420350122 446527283 /nfs/dbraw/zinc/52/72/83/446527283.db2.gz RJOWESOFAWVPQS-SJORKVTESA-N 2 1 348.878 1.425 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423423616 446530081 /nfs/dbraw/zinc/53/00/81/446530081.db2.gz ZWXQZRQJRMQFSI-JKSUJKDBSA-N 2 1 345.491 1.871 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000420352825 446532155 /nfs/dbraw/zinc/53/21/55/446532155.db2.gz AYBXVOOBTFOWCA-IRXDYDNUSA-N 3 1 332.492 1.383 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000423427986 446532722 /nfs/dbraw/zinc/53/27/22/446532722.db2.gz RASRJCOTNBRCPC-TYNCELHUSA-N 2 1 339.461 1.138 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423428237 446533449 /nfs/dbraw/zinc/53/34/49/446533449.db2.gz OENAXCHGGMSSSN-HUUCEWRRSA-N 2 1 333.480 1.871 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)ccc1C[NH+](C)C ZINC000411421111 446533736 /nfs/dbraw/zinc/53/37/36/446533736.db2.gz VIETVFFEZDFNNT-UHFFFAOYSA-N 2 1 346.475 1.548 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433144048 446537059 /nfs/dbraw/zinc/53/70/59/446537059.db2.gz AYAPECNWMMJMGW-QGZVFWFLSA-N 3 1 347.507 1.812 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3C[C@H](C)[C@H]([NH3+])C3)CC2)cc1 ZINC000420372411 446551772 /nfs/dbraw/zinc/55/17/72/446551772.db2.gz MFZDSPTVNCNSCN-PKOBYXMFSA-N 2 1 344.503 1.308 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433338104 446556028 /nfs/dbraw/zinc/55/60/28/446556028.db2.gz FPBAYTBMYPFFPV-INIZCTEOSA-N 2 1 328.501 1.518 20 0 EDADMP CCCC[NH+](C)CCNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433338104 446556030 /nfs/dbraw/zinc/55/60/30/446556030.db2.gz FPBAYTBMYPFFPV-INIZCTEOSA-N 2 1 328.501 1.518 20 0 EDADMP CCCC[NH+](C)CCNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433338104 446556033 /nfs/dbraw/zinc/55/60/33/446556033.db2.gz FPBAYTBMYPFFPV-INIZCTEOSA-N 2 1 328.501 1.518 20 0 EDADMP COCC[NH2+]CCNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418503744 446569998 /nfs/dbraw/zinc/56/99/98/446569998.db2.gz YQSQDNZLNRMUDM-GOSISDBHSA-N 2 1 348.491 1.386 20 0 EDADMP Cc1cccn2c(=O)cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)nc12 ZINC000420397117 446571873 /nfs/dbraw/zinc/57/18/73/446571873.db2.gz MLXISOBOWLKHRW-WBVHZDCISA-N 2 1 326.444 1.967 20 0 EDADMP Cc1cccn2c(=O)cc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)nc12 ZINC000420397117 446571877 /nfs/dbraw/zinc/57/18/77/446571877.db2.gz MLXISOBOWLKHRW-WBVHZDCISA-N 2 1 326.444 1.967 20 0 EDADMP Cc1ccc([C@@H](NC(=O)C[NH+]2CCC(O)(C[NH3+])CC2)C2CC2)cc1 ZINC000420398288 446572121 /nfs/dbraw/zinc/57/21/21/446572121.db2.gz AGRWQHJYNFOBHS-GOSISDBHSA-N 2 1 331.460 1.348 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418514871 446576472 /nfs/dbraw/zinc/57/64/72/446576472.db2.gz HVJNAKNEWRTDNX-UHFFFAOYSA-N 2 1 326.485 1.128 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418514871 446576480 /nfs/dbraw/zinc/57/64/80/446576480.db2.gz HVJNAKNEWRTDNX-UHFFFAOYSA-N 2 1 326.485 1.128 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCC2(C)CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000418517606 446576736 /nfs/dbraw/zinc/57/67/36/446576736.db2.gz LGCVRMHKMWWTIU-MRXNPFEDSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418530111 446583718 /nfs/dbraw/zinc/58/37/18/446583718.db2.gz ALFJCGSJQRLECH-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000418545132 446588209 /nfs/dbraw/zinc/58/82/09/446588209.db2.gz QAMOIXRYRWAOEH-QGZVFWFLSA-N 2 1 326.485 1.128 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418574896 446600803 /nfs/dbraw/zinc/60/08/03/446600803.db2.gz MOOBHSTVJCCZPU-MJGOQNOKSA-N 2 1 346.475 1.065 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)O1 ZINC000433875168 446605771 /nfs/dbraw/zinc/60/57/71/446605771.db2.gz OTWZEGAGHOGGGS-CVEARBPZSA-N 2 1 344.415 1.748 20 0 EDADMP [NH3+]CCC[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)c1ccccc1 ZINC000418667639 446641379 /nfs/dbraw/zinc/64/13/79/446641379.db2.gz HKJPYZSTDNQTGC-QZTJIDSGSA-N 2 1 348.491 1.613 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000368101783 446642161 /nfs/dbraw/zinc/64/21/61/446642161.db2.gz LKMCJONWXMXFNU-TZMCWYRMSA-N 2 1 348.472 1.868 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000418699998 446653603 /nfs/dbraw/zinc/65/36/03/446653603.db2.gz OKACVRDWHYFJDR-HOTGVXAUSA-N 2 1 333.480 1.186 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000418707280 446654867 /nfs/dbraw/zinc/65/48/67/446654867.db2.gz GGDYBSUOCLGJOS-DLBZAZTESA-N 2 1 333.480 1.815 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423729546 446664452 /nfs/dbraw/zinc/66/44/52/446664452.db2.gz MPBGDDCDLOMNSR-DLBZAZTESA-N 2 1 331.460 1.857 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000418744865 446667237 /nfs/dbraw/zinc/66/72/37/446667237.db2.gz UXBMKQNQMYZENE-CYBMUJFWSA-N 2 1 342.390 1.925 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000423734900 446667895 /nfs/dbraw/zinc/66/78/95/446667895.db2.gz BNBDXCJXNPNQCE-ICSRJNTNSA-N 2 1 344.503 1.489 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C[C@@H]1C ZINC000418646986 446630107 /nfs/dbraw/zinc/63/01/07/446630107.db2.gz XTACDDDAJAMOAS-RLFYNMQTSA-N 2 1 330.476 1.998 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000423768064 446694265 /nfs/dbraw/zinc/69/42/65/446694265.db2.gz ZRWPUAIPDVMIFG-OALUTQOASA-N 2 1 344.503 1.185 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[C@H]1CC ZINC000418792635 446705170 /nfs/dbraw/zinc/70/51/70/446705170.db2.gz OWGUIDDNWMNQTP-ARFHVFGLSA-N 2 1 326.485 1.256 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000423836328 446724715 /nfs/dbraw/zinc/72/47/15/446724715.db2.gz FPAKXDVOSIMJNE-INIZCTEOSA-N 2 1 348.447 1.046 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000423750972 446679664 /nfs/dbraw/zinc/67/96/64/446679664.db2.gz FDPZQEDWLDFQGL-SFHVURJKSA-N 2 1 333.480 1.327 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000423750972 446679670 /nfs/dbraw/zinc/67/96/70/446679670.db2.gz FDPZQEDWLDFQGL-SFHVURJKSA-N 2 1 333.480 1.327 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)C[C@H]1[NH+]1CCOCC1 ZINC000423888971 446745168 /nfs/dbraw/zinc/74/51/68/446745168.db2.gz ZLOHCEAFESDJOG-JFIYKMOQSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371294607 446750308 /nfs/dbraw/zinc/75/03/08/446750308.db2.gz LWRBRYANNUUKLN-IZBJGVDFSA-N 2 1 348.487 1.918 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)COCc1ccccc1 ZINC000371296334 446751701 /nfs/dbraw/zinc/75/17/01/446751701.db2.gz YRXVCHHJJLVJBH-IYWMVGAKSA-N 2 1 348.487 1.748 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2COCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000423904719 446755406 /nfs/dbraw/zinc/75/54/06/446755406.db2.gz OJWYTMJQZILTFN-NJAFHUGGSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2COCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000423904719 446755413 /nfs/dbraw/zinc/75/54/13/446755413.db2.gz OJWYTMJQZILTFN-NJAFHUGGSA-N 2 1 331.460 1.392 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCN1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000371321404 446773122 /nfs/dbraw/zinc/77/31/22/446773122.db2.gz QFAWFMYLOLIJQK-MRXNPFEDSA-N 2 1 341.463 1.269 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)C2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000423931307 446783409 /nfs/dbraw/zinc/78/34/09/446783409.db2.gz MAJRWKBMPKDRLB-ROUUACIJSA-N 2 1 331.460 1.564 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)C2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000423931307 446783418 /nfs/dbraw/zinc/78/34/18/446783418.db2.gz MAJRWKBMPKDRLB-ROUUACIJSA-N 2 1 331.460 1.564 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C[C@H]1c1cccc(F)c1 ZINC000424006320 446820381 /nfs/dbraw/zinc/82/03/81/446820381.db2.gz DHCVTDYVGNESFW-BFHYXJOUSA-N 2 1 327.350 1.324 20 0 EDADMP C[C@@]1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000424016061 446823771 /nfs/dbraw/zinc/82/37/71/446823771.db2.gz BBMZXSPLSWWLHG-LJQANCHMSA-N 2 1 344.503 1.486 20 0 EDADMP [NH3+]C1(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CCN(Cc2ccccc2)CC1 ZINC000424017003 446824900 /nfs/dbraw/zinc/82/49/00/446824900.db2.gz FFLTWKCWGZVOKO-IEBWSBKVSA-N 2 1 342.487 1.096 20 0 EDADMP CCCNC(=O)NC(=O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375478547 446832249 /nfs/dbraw/zinc/83/22/49/446832249.db2.gz PMOOJKHUODQRID-SJLPKXTDSA-N 2 1 346.475 1.895 20 0 EDADMP CCCNC(=O)NC(=O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375478547 446832254 /nfs/dbraw/zinc/83/22/54/446832254.db2.gz PMOOJKHUODQRID-SJLPKXTDSA-N 2 1 346.475 1.895 20 0 EDADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000377008086 446857479 /nfs/dbraw/zinc/85/74/79/446857479.db2.gz STOVYZGEGKYHKL-ZWKOTPCHSA-N 2 1 338.540 1.750 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000419028668 446873838 /nfs/dbraw/zinc/87/38/38/446873838.db2.gz RGFGFGLZPFHJRU-KRWDZBQOSA-N 2 1 346.475 1.094 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000424454904 446875025 /nfs/dbraw/zinc/87/50/25/446875025.db2.gz MRBKCVSNLFPPIG-DOMZBBRYSA-N 2 1 330.432 1.134 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377036074 446875823 /nfs/dbraw/zinc/87/58/23/446875823.db2.gz WRIQUCGLABVIAS-HOJAQTOUSA-N 2 1 349.567 1.560 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377036074 446875829 /nfs/dbraw/zinc/87/58/29/446875829.db2.gz WRIQUCGLABVIAS-HOJAQTOUSA-N 3 1 349.567 1.560 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1(C)C ZINC000371513467 446905666 /nfs/dbraw/zinc/90/56/66/446905666.db2.gz FJCOLHDNUYFWIO-YESZJQIVSA-N 2 1 325.497 1.186 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C12CCC2 ZINC000371513594 446905841 /nfs/dbraw/zinc/90/58/41/446905841.db2.gz GKEGVIJVPBAPRS-OKZBNKHCSA-N 2 1 337.508 1.330 20 0 EDADMP CCC1(CC)[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C[C@H]1OC ZINC000371513165 446906429 /nfs/dbraw/zinc/90/64/29/446906429.db2.gz CFNJDEKUAFGIPB-RCCFBDPRSA-N 2 1 339.524 1.576 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCS(N)(=O)=O)cc1F ZINC000371544835 446923954 /nfs/dbraw/zinc/92/39/54/446923954.db2.gz GLSSVNKRHYQPLU-LLVKDONJSA-N 2 1 340.424 1.649 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)C[N@H+]1C1CC1 ZINC000371885229 446972414 /nfs/dbraw/zinc/97/24/14/446972414.db2.gz ATICNIUNANCJTK-WBOSRHFRSA-N 2 1 332.492 1.737 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)C[NH+]1C1CC1 ZINC000371885229 446972421 /nfs/dbraw/zinc/97/24/21/446972421.db2.gz ATICNIUNANCJTK-WBOSRHFRSA-N 2 1 332.492 1.737 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)C[NH+]1C1CC1 ZINC000371885229 446972427 /nfs/dbraw/zinc/97/24/27/446972427.db2.gz ATICNIUNANCJTK-WBOSRHFRSA-N 2 1 332.492 1.737 20 0 EDADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442771162 446961548 /nfs/dbraw/zinc/96/15/48/446961548.db2.gz RESKNBQXASNFNP-FPCVCCKLSA-N 2 1 347.459 1.342 20 0 EDADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442771162 446961551 /nfs/dbraw/zinc/96/15/51/446961551.db2.gz RESKNBQXASNFNP-FPCVCCKLSA-N 2 1 347.459 1.342 20 0 EDADMP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442772546 446963058 /nfs/dbraw/zinc/96/30/58/446963058.db2.gz AZSIFMKQUTXFQX-HOTGVXAUSA-N 2 1 333.476 1.974 20 0 EDADMP CC(C)c1ccc(OCCNC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442772546 446963065 /nfs/dbraw/zinc/96/30/65/446963065.db2.gz AZSIFMKQUTXFQX-HOTGVXAUSA-N 2 1 333.476 1.974 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1F ZINC000442784967 446968155 /nfs/dbraw/zinc/96/81/55/446968155.db2.gz SRDVMOVKPWUOFB-YDHLFZDLSA-N 2 1 337.439 1.850 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)NCCC[NH3+] ZINC000419196393 447005498 /nfs/dbraw/zinc/00/54/98/447005498.db2.gz ATXFHBWDALLWKO-HNNXBMFYSA-N 2 1 346.475 1.142 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000421298018 447111632 /nfs/dbraw/zinc/11/16/32/447111632.db2.gz MBYXSRCOESNODM-INIZCTEOSA-N 2 1 330.432 1.123 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000421298018 447111635 /nfs/dbraw/zinc/11/16/35/447111635.db2.gz MBYXSRCOESNODM-INIZCTEOSA-N 2 1 330.432 1.123 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000421298018 447111638 /nfs/dbraw/zinc/11/16/38/447111638.db2.gz MBYXSRCOESNODM-INIZCTEOSA-N 2 1 330.432 1.123 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000421298018 447111648 /nfs/dbraw/zinc/11/16/48/447111648.db2.gz MBYXSRCOESNODM-INIZCTEOSA-N 2 1 330.432 1.123 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)c3c[nH+]ccc3N)CCCC2)CC1 ZINC000444183284 447090483 /nfs/dbraw/zinc/09/04/83/447090483.db2.gz NTAKDCIUCHCYPT-UHFFFAOYSA-N 2 1 332.448 1.648 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375906679 447136019 /nfs/dbraw/zinc/13/60/19/447136019.db2.gz PQCMHPPVQGPMOF-BZSNNMDCSA-N 2 1 338.540 1.780 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375906679 447136027 /nfs/dbraw/zinc/13/60/27/447136027.db2.gz PQCMHPPVQGPMOF-BZSNNMDCSA-N 2 1 338.540 1.780 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)COC(C)(C)C)C2)CC1 ZINC000375906464 447136259 /nfs/dbraw/zinc/13/62/59/447136259.db2.gz PGTPXAZJPGFTHA-IRXDYDNUSA-N 2 1 327.513 1.263 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2ccc(C[NH+](C)C)cc2)[C@@H](C)C[N@H+]1CCO ZINC000419394738 447148469 /nfs/dbraw/zinc/14/84/69/447148469.db2.gz AJJSTXOKUPATDV-CVEARBPZSA-N 2 1 348.491 1.345 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](CCO)CC3)cn2)CC1 ZINC000421402404 447152849 /nfs/dbraw/zinc/15/28/49/447152849.db2.gz VVSBCZRJPDLCFW-INIZCTEOSA-N 2 1 333.480 1.213 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](CCO)CC3)cn2)CC1 ZINC000421402404 447152856 /nfs/dbraw/zinc/15/28/56/447152856.db2.gz VVSBCZRJPDLCFW-INIZCTEOSA-N 2 1 333.480 1.213 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000368846447 447154685 /nfs/dbraw/zinc/15/46/85/447154685.db2.gz QUFVCHAWLFDTGA-OCCSQVGLSA-N 2 1 342.399 1.852 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)OC(C)(C)C)C2)CC1 ZINC000375902779 447135020 /nfs/dbraw/zinc/13/50/20/447135020.db2.gz GKFWCKJVJYWZLY-INIZCTEOSA-N 2 1 325.497 1.819 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000419428701 447168794 /nfs/dbraw/zinc/16/87/94/447168794.db2.gz RDZMHAXAENYFJO-IKGGRYGDSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCC[NH2+]1 ZINC000390924634 447506716 /nfs/dbraw/zinc/50/67/16/447506716.db2.gz IWOSQKKZRFTOPL-ICSRJNTNSA-N 2 1 345.487 1.926 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390906466 447507301 /nfs/dbraw/zinc/50/73/01/447507301.db2.gz SCWXMADHZYPSPH-CGTJXYLNSA-N 2 1 331.460 1.392 20 0 EDADMP CS[C@@H]1CN(C(=O)CC[N@H+]2CCc3ccccc3C2)C[C@H]1[NH+](C)C ZINC000416185827 447534287 /nfs/dbraw/zinc/53/42/87/447534287.db2.gz XILXFTRHEBUJRT-QZTJIDSGSA-N 2 1 347.528 1.939 20 0 EDADMP O=C1NCC[C@@H]1CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000395786360 447541238 /nfs/dbraw/zinc/54/12/38/447541238.db2.gz QGXLWHFXTSGSCD-GUDVDZBRSA-N 2 1 327.472 1.967 20 0 EDADMP O=C1NCC[C@@H]1CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000395786360 447541240 /nfs/dbraw/zinc/54/12/40/447541240.db2.gz QGXLWHFXTSGSCD-GUDVDZBRSA-N 2 1 327.472 1.967 20 0 EDADMP C[C@H]1CN(C(=O)COC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000396412476 447542842 /nfs/dbraw/zinc/54/28/42/447542842.db2.gz HJQIEHPMMPDTHD-INIZCTEOSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H]1CN(C(=O)COC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000396412476 447542847 /nfs/dbraw/zinc/54/28/47/447542847.db2.gz HJQIEHPMMPDTHD-INIZCTEOSA-N 2 1 331.460 1.488 20 0 EDADMP [NH3+][C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000399055322 447561211 /nfs/dbraw/zinc/56/12/11/447561211.db2.gz XAQOFFYZWDXBJB-MSOLQXFVSA-N 2 1 331.460 1.521 20 0 EDADMP Cc1ccc(NCCCNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)[nH+]c1 ZINC000457737139 447623660 /nfs/dbraw/zinc/62/36/60/447623660.db2.gz PONGPFDDSWIADC-MRXNPFEDSA-N 2 1 333.480 2.316 20 0 EDADMP Cc1ccc(NCCCNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)[nH+]c1 ZINC000457737139 447623664 /nfs/dbraw/zinc/62/36/64/447623664.db2.gz PONGPFDDSWIADC-MRXNPFEDSA-N 2 1 333.480 2.316 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C[C@H](C)O1 ZINC000416917290 447708910 /nfs/dbraw/zinc/70/89/10/447708910.db2.gz IVRBPWDCRGCVCS-KBXIAJHMSA-N 2 1 326.485 1.253 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C[C@H](C)O1 ZINC000416917290 447708914 /nfs/dbraw/zinc/70/89/14/447708914.db2.gz IVRBPWDCRGCVCS-KBXIAJHMSA-N 2 1 326.485 1.253 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)[NH+](C)C ZINC000416839174 447694040 /nfs/dbraw/zinc/69/40/40/447694040.db2.gz JLFBKTYBBXPKMZ-MRXNPFEDSA-N 2 1 334.464 1.678 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416916743 447708981 /nfs/dbraw/zinc/70/89/81/447708981.db2.gz IHHYCQIEIKQXPY-ZNMIVQPWSA-N 2 1 326.485 1.125 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416916743 447708987 /nfs/dbraw/zinc/70/89/87/447708987.db2.gz IHHYCQIEIKQXPY-ZNMIVQPWSA-N 2 1 326.485 1.125 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000416870654 447700712 /nfs/dbraw/zinc/70/07/12/447700712.db2.gz OJWUUBGWMHFAON-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000457989148 447690956 /nfs/dbraw/zinc/69/09/56/447690956.db2.gz RBMBZIVMKDENEG-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)CC(C)(C)C[NH3+])C[C@@H](C)O1 ZINC000416924834 447711329 /nfs/dbraw/zinc/71/13/29/447711329.db2.gz RRJPADCJJSJLAQ-ZIAGYGMSSA-N 2 1 328.501 1.501 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416925767 447711778 /nfs/dbraw/zinc/71/17/78/447711778.db2.gz SVTCDEMKVQGIGU-FZKCQIBNSA-N 2 1 340.512 1.643 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416925767 447711783 /nfs/dbraw/zinc/71/17/83/447711783.db2.gz SVTCDEMKVQGIGU-FZKCQIBNSA-N 2 1 340.512 1.643 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N[C@@H](C)CCCC[NH3+])[NH+]1CCOCC1 ZINC000416933667 447714445 /nfs/dbraw/zinc/71/44/45/447714445.db2.gz BHUGNHQZQLZLBJ-HOTGVXAUSA-N 2 1 328.501 1.550 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000416944712 447720173 /nfs/dbraw/zinc/72/01/73/447720173.db2.gz DOCHQZNLKOMFKJ-ZACQAIPSSA-N 2 1 339.528 1.170 20 0 EDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000422700834 447720921 /nfs/dbraw/zinc/72/09/21/447720921.db2.gz CKGGSDKGAFZGFU-OLZOCXBDSA-N 2 1 327.494 1.979 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458142932 447726606 /nfs/dbraw/zinc/72/66/06/447726606.db2.gz BPYQIPHEYFQHIK-QGZVFWFLSA-N 2 1 340.512 1.397 20 0 EDADMP C[C@@H](NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[NH2+]1 ZINC000422720603 447727320 /nfs/dbraw/zinc/72/73/20/447727320.db2.gz SUKCFLMPBKBPGZ-IAGOWNOFSA-N 2 1 332.496 1.109 20 0 EDADMP CO[C@@H]1CCN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417014801 447730070 /nfs/dbraw/zinc/73/00/70/447730070.db2.gz DYEUZRRAWWADNR-YYIAUSFCSA-N 2 1 340.512 1.502 20 0 EDADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000422743131 447736115 /nfs/dbraw/zinc/73/61/15/447736115.db2.gz QYCLFNKXEKLHIA-OAHLLOKOSA-N 3 1 333.524 1.773 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cn1ccnn1 ZINC000459697938 447743715 /nfs/dbraw/zinc/74/37/15/447743715.db2.gz NFPXUUCWEUTUNX-SFHVURJKSA-N 2 1 347.438 1.075 20 0 EDADMP O=C(C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000459713414 447749746 /nfs/dbraw/zinc/74/97/46/447749746.db2.gz KYCYUDYBMITILM-DLBZAZTESA-N 2 1 333.476 1.230 20 0 EDADMP CC[C@@H]([NH2+]C[C@@H](CO)Cc1cc(OC)cc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422827353 447761763 /nfs/dbraw/zinc/76/17/63/447761763.db2.gz SEURWCUMWIJLEO-IPELMVKDSA-N 2 1 336.476 1.975 20 0 EDADMP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)ccn1 ZINC000423023911 447793277 /nfs/dbraw/zinc/79/32/77/447793277.db2.gz KSURIBLKFPKTOR-RCCFBDPRSA-N 3 1 348.491 1.269 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423085148 447802165 /nfs/dbraw/zinc/80/21/65/447802165.db2.gz JSLCLJWARDEGBB-RCCFBDPRSA-N 2 1 331.460 1.392 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423085148 447802170 /nfs/dbraw/zinc/80/21/70/447802170.db2.gz JSLCLJWARDEGBB-RCCFBDPRSA-N 2 1 331.460 1.392 20 0 EDADMP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C1CC[NH2+]CC1 ZINC000423109330 447806912 /nfs/dbraw/zinc/80/69/12/447806912.db2.gz NNBDEJYMKCEIRU-UHFFFAOYSA-N 2 1 331.869 1.268 20 0 EDADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCOCC1 ZINC000423114772 447808866 /nfs/dbraw/zinc/80/88/66/447808866.db2.gz WHPHPYMVHUJJMU-YJNKXOJESA-N 2 1 335.414 1.760 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496641280 447839115 /nfs/dbraw/zinc/83/91/15/447839115.db2.gz FHRYKYSZCJXGJA-MAUKXSAKSA-N 2 1 343.512 1.830 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000496708790 447852922 /nfs/dbraw/zinc/85/29/22/447852922.db2.gz MJRWBPVUMCTWRX-UHFFFAOYSA-N 2 1 342.528 1.859 20 0 EDADMP O=C(NCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522829865 447858768 /nfs/dbraw/zinc/85/87/68/447858768.db2.gz LQXRUXYGFOOPSK-GOSISDBHSA-N 2 1 330.476 1.896 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000477879727 447820996 /nfs/dbraw/zinc/82/09/96/447820996.db2.gz OSGGCZOMHPRMMB-ZACQAIPSSA-N 2 1 340.512 1.659 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000523332980 447879188 /nfs/dbraw/zinc/87/91/88/447879188.db2.gz XECWZXRJTAUKNK-BDXSIMOUSA-N 2 1 339.524 1.967 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000523332980 447879194 /nfs/dbraw/zinc/87/91/94/447879194.db2.gz XECWZXRJTAUKNK-BDXSIMOUSA-N 2 1 339.524 1.967 20 0 EDADMP CN1C(=O)CC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1=O ZINC000575802163 447900919 /nfs/dbraw/zinc/90/09/19/447900919.db2.gz GXUHOQMIECBLIF-IAGOWNOFSA-N 2 1 341.455 1.921 20 0 EDADMP O=C(N1CC[NH+](C2CCC2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530585060 447921972 /nfs/dbraw/zinc/92/19/72/447921972.db2.gz CCARQRRSJNGKRU-HXUWFJFHSA-N 2 1 343.471 1.320 20 0 EDADMP O=C(N1CC[NH+](C2CCC2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530585060 447921975 /nfs/dbraw/zinc/92/19/75/447921975.db2.gz CCARQRRSJNGKRU-HXUWFJFHSA-N 2 1 343.471 1.320 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3noc(C)n3)CC2)CC1 ZINC000553130181 447974984 /nfs/dbraw/zinc/97/49/84/447974984.db2.gz IOBPZFAIFKZWFA-UHFFFAOYSA-N 2 1 335.452 1.191 20 0 EDADMP C[NH+]1CCC(CNc2ccc3nccnc3n2)([NH+]2CCCCC2)CC1 ZINC000525192052 447975514 /nfs/dbraw/zinc/97/55/14/447975514.db2.gz GSFREQSWYIUYQH-UHFFFAOYSA-N 2 1 340.475 1.761 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000530912920 447983568 /nfs/dbraw/zinc/98/35/68/447983568.db2.gz CDVZSNQADPAJKO-NSHGMRRFSA-N 2 1 345.487 1.612 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496849097 447967179 /nfs/dbraw/zinc/96/71/79/447967179.db2.gz BMKPIXICYWWUEB-GOEBONIOSA-N 2 1 341.496 1.678 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496849097 447967186 /nfs/dbraw/zinc/96/71/86/447967186.db2.gz BMKPIXICYWWUEB-GOEBONIOSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496849097 447967190 /nfs/dbraw/zinc/96/71/90/447967190.db2.gz BMKPIXICYWWUEB-GOEBONIOSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496849097 447967196 /nfs/dbraw/zinc/96/71/96/447967196.db2.gz BMKPIXICYWWUEB-GOEBONIOSA-N 2 1 341.496 1.678 20 0 EDADMP C[N@@H+](C[C@H](O)CNCc1ccccc1CN1CCCC1=O)C1CC1 ZINC000570274080 447974010 /nfs/dbraw/zinc/97/40/10/447974010.db2.gz WIYDATATHAOGEB-GOSISDBHSA-N 2 1 331.460 1.354 20 0 EDADMP CN(C[C@H](O)C[NH2+]Cc1ccccc1CN1CCCC1=O)C1CC1 ZINC000570274080 447974015 /nfs/dbraw/zinc/97/40/15/447974015.db2.gz WIYDATATHAOGEB-GOSISDBHSA-N 2 1 331.460 1.354 20 0 EDADMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000570502646 448028603 /nfs/dbraw/zinc/02/86/03/448028603.db2.gz IBZOJDGNKLDGNH-AEFFLSMTSA-N 2 1 346.475 1.392 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000576463021 448061779 /nfs/dbraw/zinc/06/17/79/448061779.db2.gz FBCUKMXCAABJTN-ONIAQPFYSA-N 2 1 348.491 1.294 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1 ZINC000531427309 448083028 /nfs/dbraw/zinc/08/30/28/448083028.db2.gz GCKCRGHEZHQZEQ-OAHLLOKOSA-N 2 1 348.495 1.922 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000576849241 448156015 /nfs/dbraw/zinc/15/60/15/448156015.db2.gz QGPCQWAOPRWAOI-JKSUJKDBSA-N 2 1 338.496 1.271 20 0 EDADMP CC[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000531707945 448130610 /nfs/dbraw/zinc/13/06/10/448130610.db2.gz QTCVFDIKZCIOBR-JQHSSLGASA-N 2 1 333.476 1.732 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000531804606 448149098 /nfs/dbraw/zinc/14/90/98/448149098.db2.gz CQEIRGGOGJRAFS-OIISXLGYSA-N 2 1 338.496 1.125 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000531804606 448149102 /nfs/dbraw/zinc/14/91/02/448149102.db2.gz CQEIRGGOGJRAFS-OIISXLGYSA-N 2 1 338.496 1.125 20 0 EDADMP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000514932925 448227607 /nfs/dbraw/zinc/22/76/07/448227607.db2.gz NRLBUZVISCYQKH-KBXCAEBGSA-N 2 1 332.444 1.869 20 0 EDADMP CC(C)[C@@H](C(=O)NCc1ccc(C[NH3+])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000577116920 448214273 /nfs/dbraw/zinc/21/42/73/448214273.db2.gz HAWVAHLGGMBDBR-DAYGRLMNSA-N 2 1 333.476 1.895 20 0 EDADMP CC(C)[C@@H](C(=O)NCc1ccc(C[NH3+])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000577116920 448214275 /nfs/dbraw/zinc/21/42/75/448214275.db2.gz HAWVAHLGGMBDBR-DAYGRLMNSA-N 2 1 333.476 1.895 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000582698665 448311739 /nfs/dbraw/zinc/31/17/39/448311739.db2.gz WMRBRXGIIOZMSU-ULQDDVLXSA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000582698665 448311744 /nfs/dbraw/zinc/31/17/44/448311744.db2.gz WMRBRXGIIOZMSU-ULQDDVLXSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000515483325 448319899 /nfs/dbraw/zinc/31/98/99/448319899.db2.gz NBBBNKLFNINFST-DOTOQJQBSA-N 2 1 338.540 1.591 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000515381016 448304122 /nfs/dbraw/zinc/30/41/22/448304122.db2.gz QIVWMRPVXISJJY-LBTNJELSSA-N 2 1 343.475 1.576 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000515381016 448304126 /nfs/dbraw/zinc/30/41/26/448304126.db2.gz QIVWMRPVXISJJY-LBTNJELSSA-N 2 1 343.475 1.576 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000515381016 448304133 /nfs/dbraw/zinc/30/41/33/448304133.db2.gz QIVWMRPVXISJJY-LBTNJELSSA-N 2 1 343.475 1.576 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[NH+]1CC(C)C1 ZINC000572301434 448339857 /nfs/dbraw/zinc/33/98/57/448339857.db2.gz FLNMOEYWRGLRRL-NZSAHSFTSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[NH+]1CC(C)C1 ZINC000572301434 448339862 /nfs/dbraw/zinc/33/98/62/448339862.db2.gz FLNMOEYWRGLRRL-NZSAHSFTSA-N 2 1 345.487 1.326 20 0 EDADMP COC(=O)Cn1cc(CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)nn1 ZINC000533010682 448345061 /nfs/dbraw/zinc/34/50/61/448345061.db2.gz YQFZHONEJPZUDY-UHFFFAOYSA-N 2 1 337.468 1.046 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)C3(C)C[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000582899206 448372192 /nfs/dbraw/zinc/37/21/92/448372192.db2.gz GMZLRYVAIHSNGB-IRXDYDNUSA-N 2 1 329.444 1.699 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)N[C@@H]2CCC[NH+](C)C2)cc1 ZINC000527801339 448363131 /nfs/dbraw/zinc/36/31/31/448363131.db2.gz ULJJNHPRTVZCNN-SJORKVTESA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)N[C@@H]2CCC[NH+](C)C2)cc1 ZINC000527801339 448363137 /nfs/dbraw/zinc/36/31/37/448363137.db2.gz ULJJNHPRTVZCNN-SJORKVTESA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000527801339 448363140 /nfs/dbraw/zinc/36/31/40/448363140.db2.gz ULJJNHPRTVZCNN-SJORKVTESA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000527801339 448363146 /nfs/dbraw/zinc/36/31/46/448363146.db2.gz ULJJNHPRTVZCNN-SJORKVTESA-N 2 1 346.475 1.663 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000516070448 448375300 /nfs/dbraw/zinc/37/53/00/448375300.db2.gz FBHKALKYTHIGAC-XYVMCAHJSA-N 2 1 330.476 1.796 20 0 EDADMP CC[NH2+]CCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000516634758 448452816 /nfs/dbraw/zinc/45/28/16/448452816.db2.gz AWEXUMQMAXMIHS-ZWKOTPCHSA-N 2 1 348.491 1.168 20 0 EDADMP CCCN(C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000516634636 448453584 /nfs/dbraw/zinc/45/35/84/448453584.db2.gz YXBZCDAESFBKDI-GVDBMIGSSA-N 2 1 338.496 1.413 20 0 EDADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572841199 448477063 /nfs/dbraw/zinc/47/70/63/448477063.db2.gz HIMFWKJPYCTPEL-FDIDQYAWSA-N 2 1 343.471 1.520 20 0 EDADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572841199 448477067 /nfs/dbraw/zinc/47/70/67/448477067.db2.gz HIMFWKJPYCTPEL-FDIDQYAWSA-N 2 1 343.471 1.520 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000584398623 448510820 /nfs/dbraw/zinc/51/08/20/448510820.db2.gz DYOWAZNAJPUMPF-GASCZTMLSA-N 2 1 346.475 1.905 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000584398623 448510824 /nfs/dbraw/zinc/51/08/24/448510824.db2.gz DYOWAZNAJPUMPF-GASCZTMLSA-N 2 1 346.475 1.905 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)N3CC[NH2+]CC3)CC[N@H+]2C2CC2)c1 ZINC000584400208 448511998 /nfs/dbraw/zinc/51/19/98/448511998.db2.gz JTBHZEMZFUDDLJ-MSOLQXFVSA-N 2 1 344.459 1.588 20 0 EDADMP O=C([C@@H]1CCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000566623048 448522563 /nfs/dbraw/zinc/52/25/63/448522563.db2.gz WMGDXEUPCVQUIK-HNNXBMFYSA-N 2 1 331.464 1.335 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCCN2CCN(c3ncccn3)CC2)C1 ZINC000573267053 448585543 /nfs/dbraw/zinc/58/55/43/448585543.db2.gz YJGUYUHEMWSTQC-SJORKVTESA-N 2 1 332.496 1.238 20 0 EDADMP COC1CC[NH+](C2(CNC[C@H](O)C[N@@H+](C)C3CC3)CCCC2)CC1 ZINC000573317338 448595826 /nfs/dbraw/zinc/59/58/26/448595826.db2.gz FPNZBTSTOFIUAQ-KRWDZBQOSA-N 2 1 339.524 1.455 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)[C@@H](C)OC)CC2)CC1 ZINC000573623228 448674636 /nfs/dbraw/zinc/67/46/36/448674636.db2.gz DRAUJKPAMUBGSI-HUUCEWRRSA-N 2 1 325.497 1.722 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000518367238 448669566 /nfs/dbraw/zinc/66/95/66/448669566.db2.gz UYYIAHLSPGUABU-MRXNPFEDSA-N 2 1 340.512 1.469 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1ccccc1F ZINC000584781669 448629909 /nfs/dbraw/zinc/62/99/09/448629909.db2.gz JVWMIYBCNZPGGT-LSDHHAIUSA-N 2 1 326.412 1.002 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000567463975 448699248 /nfs/dbraw/zinc/69/92/48/448699248.db2.gz AGNFKAVIHSFAQT-OAHLLOKOSA-N 2 1 332.448 1.192 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000567508730 448707615 /nfs/dbraw/zinc/70/76/15/448707615.db2.gz PZHQYQLTPKIDDC-BBRMVZONSA-N 2 1 348.472 1.865 20 0 EDADMP COCC[NH+](CCOC)C1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000518778989 448710708 /nfs/dbraw/zinc/71/07/08/448710708.db2.gz XSQPGTCZEYUMGK-WMZOPIPTSA-N 2 1 328.497 1.597 20 0 EDADMP Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000518480495 448682659 /nfs/dbraw/zinc/68/26/59/448682659.db2.gz AAKRWLJAQISATK-OAHLLOKOSA-N 2 1 344.463 1.684 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000518480495 448682667 /nfs/dbraw/zinc/68/26/67/448682667.db2.gz AAKRWLJAQISATK-OAHLLOKOSA-N 2 1 344.463 1.684 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000518480495 448682674 /nfs/dbraw/zinc/68/26/74/448682674.db2.gz AAKRWLJAQISATK-OAHLLOKOSA-N 2 1 344.463 1.684 20 0 EDADMP COCCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000519386238 448764525 /nfs/dbraw/zinc/76/45/25/448764525.db2.gz HUAIBWUSKJJSEP-BFYDXBDKSA-N 2 1 342.505 1.745 20 0 EDADMP COCCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000519386238 448764528 /nfs/dbraw/zinc/76/45/28/448764528.db2.gz HUAIBWUSKJJSEP-BFYDXBDKSA-N 2 1 342.505 1.745 20 0 EDADMP C[NH2+][C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000579471353 448802206 /nfs/dbraw/zinc/80/22/06/448802206.db2.gz VVOYTHWYGNQLOH-QGZVFWFLSA-N 2 1 327.432 1.915 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529286058 448807544 /nfs/dbraw/zinc/80/75/44/448807544.db2.gz VYDIOCXQTKWQSV-SJORKVTESA-N 2 1 328.460 1.845 20 0 EDADMP [NH3+]C1(CNC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000568125512 448821442 /nfs/dbraw/zinc/82/14/42/448821442.db2.gz GXVLOMZFODKNAL-MRXNPFEDSA-N 2 1 348.516 1.785 20 0 EDADMP [NH3+]C1(CNC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CCC1 ZINC000568125512 448821446 /nfs/dbraw/zinc/82/14/46/448821446.db2.gz GXVLOMZFODKNAL-MRXNPFEDSA-N 2 1 348.516 1.785 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000529358995 448839978 /nfs/dbraw/zinc/83/99/78/448839978.db2.gz KRGOQRXBVZZYCF-HZPDHXFCSA-N 2 1 336.480 1.167 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000592558576 448900709 /nfs/dbraw/zinc/90/07/09/448900709.db2.gz BYODQBCVPQUGBA-GDBMZVCRSA-N 2 1 339.480 1.251 20 0 EDADMP C[NH+]1CCN(C[C@H](O)CNc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000574513087 448890473 /nfs/dbraw/zinc/89/04/73/448890473.db2.gz GUMMLVZWKJVBMP-HXUWFJFHSA-N 2 1 346.519 1.345 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000574787035 448957311 /nfs/dbraw/zinc/95/73/11/448957311.db2.gz LBWJDQZBSXFZKZ-LSDHHAIUSA-N 2 1 336.505 1.745 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)CCN2C1=O ZINC000521371824 448976591 /nfs/dbraw/zinc/97/65/91/448976591.db2.gz MILKKIQSCSSLBH-YPMHNXCESA-N 2 1 329.322 1.329 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)CCN2C1=O ZINC000521371824 448976597 /nfs/dbraw/zinc/97/65/97/448976597.db2.gz MILKKIQSCSSLBH-YPMHNXCESA-N 2 1 329.322 1.329 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569337838 449005867 /nfs/dbraw/zinc/00/58/67/449005867.db2.gz WUBYHYIXMDRNNC-IEZWGBDMSA-N 2 1 333.476 1.910 20 0 EDADMP C[NH+]1CC[C@H](C(=O)Nc2cccc(CNC(=O)[C@H]3CC[N@H+](C)C3)c2)C1 ZINC000521927768 449029042 /nfs/dbraw/zinc/02/90/42/449029042.db2.gz XXIGQZFILCFIHW-HOTGVXAUSA-N 2 1 344.459 1.145 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NCc2cccc(NC(=O)[C@H]3CC[N@H+](C)C3)c2)C1 ZINC000521927768 449029047 /nfs/dbraw/zinc/02/90/47/449029047.db2.gz XXIGQZFILCFIHW-HOTGVXAUSA-N 2 1 344.459 1.145 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NCc2cccc(NC(=O)[C@H]3CC[N@@H+](C)C3)c2)C1 ZINC000521927768 449029053 /nfs/dbraw/zinc/02/90/53/449029053.db2.gz XXIGQZFILCFIHW-HOTGVXAUSA-N 2 1 344.459 1.145 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000575157566 449051295 /nfs/dbraw/zinc/05/12/95/449051295.db2.gz QXUOLQQPAJFNBC-WBVHZDCISA-N 2 1 331.464 1.469 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000575157566 449051301 /nfs/dbraw/zinc/05/13/01/449051301.db2.gz QXUOLQQPAJFNBC-WBVHZDCISA-N 2 1 331.464 1.469 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH+]3CCc4ccccc4C3)CC2)C1 ZINC000522138485 449055383 /nfs/dbraw/zinc/05/53/83/449055383.db2.gz QFTCIQUGUIHCGA-GOSISDBHSA-N 2 1 327.472 1.987 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC000522138485 449055388 /nfs/dbraw/zinc/05/53/88/449055388.db2.gz QFTCIQUGUIHCGA-GOSISDBHSA-N 2 1 327.472 1.987 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC000522138485 449055391 /nfs/dbraw/zinc/05/53/91/449055391.db2.gz QFTCIQUGUIHCGA-GOSISDBHSA-N 2 1 327.472 1.987 20 0 EDADMP COC(=O)[C@@](C)(O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000575410312 449095090 /nfs/dbraw/zinc/09/50/90/449095090.db2.gz PJYZLDXESMABLP-PBHICJAKSA-N 2 1 340.489 1.734 20 0 EDADMP COC(=O)[C@@](C)(O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000575410312 449095094 /nfs/dbraw/zinc/09/50/94/449095094.db2.gz PJYZLDXESMABLP-PBHICJAKSA-N 2 1 340.489 1.734 20 0 EDADMP COC(=O)[C@@](C)(O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000575410312 449095099 /nfs/dbraw/zinc/09/50/99/449095099.db2.gz PJYZLDXESMABLP-PBHICJAKSA-N 2 1 340.489 1.734 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](n3ccnc3)C2)CC1 ZINC000603933882 449161244 /nfs/dbraw/zinc/16/12/44/449161244.db2.gz XXWPJZCJDUDKMG-KRWDZBQOSA-N 2 1 333.480 1.509 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](n3ccnc3)C2)CC1 ZINC000603933882 449161245 /nfs/dbraw/zinc/16/12/45/449161245.db2.gz XXWPJZCJDUDKMG-KRWDZBQOSA-N 2 1 333.480 1.509 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)nc1 ZINC000593731244 449165037 /nfs/dbraw/zinc/16/50/37/449165037.db2.gz VACYODIHZCSAPU-UAGQMJEPSA-N 2 1 333.432 1.729 20 0 EDADMP O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000593688363 449148699 /nfs/dbraw/zinc/14/86/99/449148699.db2.gz OSVMDAQIJREWAF-TXBYWVTISA-N 2 1 334.485 1.866 20 0 EDADMP O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000593688363 449148701 /nfs/dbraw/zinc/14/87/01/449148701.db2.gz OSVMDAQIJREWAF-TXBYWVTISA-N 2 1 334.485 1.866 20 0 EDADMP CCOC(=O)c1cccc(C[NH2+]CCCCN2CC[NH+](C)CC2)n1 ZINC000600123034 449202851 /nfs/dbraw/zinc/20/28/51/449202851.db2.gz HMUZEALHFWUSOL-UHFFFAOYSA-N 2 1 334.464 1.376 20 0 EDADMP COC(=O)CCNC(=O)CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000600711620 449511003 /nfs/dbraw/zinc/51/10/03/449511003.db2.gz SOZJULAKIKTAQC-HOTGVXAUSA-N 2 1 333.432 1.139 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC000602473550 449619579 /nfs/dbraw/zinc/61/95/79/449619579.db2.gz ONNVTVYTOGSEFZ-HSZRJFAPSA-N 2 1 343.537 1.066 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)cc2nccnc21 ZINC000617505257 449652661 /nfs/dbraw/zinc/65/26/61/449652661.db2.gz ZHGSPAHQIKPVSJ-ZDUSSCGKSA-N 2 1 347.438 1.771 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)cc2nccnc21 ZINC000617505257 449652664 /nfs/dbraw/zinc/65/26/64/449652664.db2.gz ZHGSPAHQIKPVSJ-ZDUSSCGKSA-N 2 1 347.438 1.771 20 0 EDADMP CC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C ZINC000617507245 449655030 /nfs/dbraw/zinc/65/50/30/449655030.db2.gz NWNHVWYHGGEXSC-AWEZNQCLSA-N 2 1 348.491 1.955 20 0 EDADMP CC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C ZINC000617507245 449655036 /nfs/dbraw/zinc/65/50/36/449655036.db2.gz NWNHVWYHGGEXSC-AWEZNQCLSA-N 2 1 348.491 1.955 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000617507858 449658336 /nfs/dbraw/zinc/65/83/36/449658336.db2.gz LSVXSXLIRVKBGB-LBPRGKRZSA-N 2 1 334.420 1.535 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000617507858 449658343 /nfs/dbraw/zinc/65/83/43/449658343.db2.gz LSVXSXLIRVKBGB-LBPRGKRZSA-N 2 1 334.420 1.535 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn(-c2ccccc2)cn1 ZINC000617502101 449644664 /nfs/dbraw/zinc/64/46/64/449644664.db2.gz CBNHQGOASCVWNR-INIZCTEOSA-N 2 1 343.475 1.874 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn(-c2ccccc2)cn1 ZINC000617502101 449644669 /nfs/dbraw/zinc/64/46/69/449644669.db2.gz CBNHQGOASCVWNR-INIZCTEOSA-N 2 1 343.475 1.874 20 0 EDADMP Cc1c(Cl)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nn1C ZINC000617502601 449645824 /nfs/dbraw/zinc/64/58/24/449645824.db2.gz VTGAEMHNLZMCIJ-NSHDSACASA-N 2 1 329.876 1.384 20 0 EDADMP Cc1c(Cl)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nn1C ZINC000617502601 449645829 /nfs/dbraw/zinc/64/58/29/449645829.db2.gz VTGAEMHNLZMCIJ-NSHDSACASA-N 2 1 329.876 1.384 20 0 EDADMP CCOC(=O)C1(C)CC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000601267042 449787457 /nfs/dbraw/zinc/78/74/57/449787457.db2.gz URHOALOIZLKLRH-LYBXBRPPSA-N 2 1 346.471 1.945 20 0 EDADMP CCOC(=O)C1(C)CC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000601267042 449787463 /nfs/dbraw/zinc/78/74/63/449787463.db2.gz URHOALOIZLKLRH-LYBXBRPPSA-N 2 1 346.471 1.945 20 0 EDADMP COC(=O)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1F ZINC000597056226 449788498 /nfs/dbraw/zinc/78/84/98/449788498.db2.gz AWFIOPBVBUXGQH-HNNXBMFYSA-N 2 1 338.423 1.939 20 0 EDADMP Cc1cc(OCC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1C(C)C ZINC000594874565 449788691 /nfs/dbraw/zinc/78/86/91/449788691.db2.gz BNNLGARTPNIAJU-CRAIPNDOSA-N 2 1 331.460 1.741 20 0 EDADMP Cc1cc(OCC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1C(C)C ZINC000594874565 449788693 /nfs/dbraw/zinc/78/86/93/449788693.db2.gz BNNLGARTPNIAJU-CRAIPNDOSA-N 2 1 331.460 1.741 20 0 EDADMP C[C@H](C(=O)NCCN(C)CCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000617766618 449829493 /nfs/dbraw/zinc/82/94/93/449829493.db2.gz RCEZGQOBGQLBHG-QGZVFWFLSA-N 2 1 346.519 1.433 20 0 EDADMP C[C@H](C(=O)NCCN(C)CCC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000617766618 449829499 /nfs/dbraw/zinc/82/94/99/449829499.db2.gz RCEZGQOBGQLBHG-QGZVFWFLSA-N 2 1 346.519 1.433 20 0 EDADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000595037904 449846974 /nfs/dbraw/zinc/84/69/74/449846974.db2.gz FGVMOQWXFUECRL-HNNXBMFYSA-N 2 1 327.513 1.970 20 0 EDADMP C[NH+]1CCN(CC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000599324507 449893551 /nfs/dbraw/zinc/89/35/51/449893551.db2.gz YTWGLONEXKRKMV-UHFFFAOYSA-N 2 1 344.503 1.187 20 0 EDADMP C[NH+]1CCN(CC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000599324507 449893555 /nfs/dbraw/zinc/89/35/55/449893555.db2.gz YTWGLONEXKRKMV-UHFFFAOYSA-N 2 1 344.503 1.187 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)C[C@H]1Cc1ccccc1 ZINC000612989562 449973922 /nfs/dbraw/zinc/97/39/22/449973922.db2.gz YFCUBRRDTXXEAB-MSOLQXFVSA-N 2 1 342.487 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)C[C@H]1Cc1ccccc1 ZINC000612989562 449973929 /nfs/dbraw/zinc/97/39/29/449973929.db2.gz YFCUBRRDTXXEAB-MSOLQXFVSA-N 2 1 342.487 1.697 20 0 EDADMP C[NH+](C)CC1(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)CCCCC1 ZINC000615273929 450038992 /nfs/dbraw/zinc/03/89/92/450038992.db2.gz ZGVSKJZLPSEHKU-UHFFFAOYSA-N 2 1 336.524 1.204 20 0 EDADMP C[NH+](C)CC1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000615504891 450116571 /nfs/dbraw/zinc/11/65/71/450116571.db2.gz JWQURNRCKRFUHH-SFHVURJKSA-N 2 1 331.460 1.204 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H]1[NH3+] ZINC000603434501 450301278 /nfs/dbraw/zinc/30/12/78/450301278.db2.gz QYBWJQLHHGQXLC-FVEFZWAJSA-N 2 1 348.491 1.496 20 0 EDADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620478908 450497711 /nfs/dbraw/zinc/49/77/11/450497711.db2.gz JYQSTJDBTKGRSR-RTBURBONSA-N 2 1 349.519 1.841 20 0 EDADMP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000620478908 450497715 /nfs/dbraw/zinc/49/77/15/450497715.db2.gz JYQSTJDBTKGRSR-RTBURBONSA-N 2 1 349.519 1.841 20 0 EDADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000620478908 450497717 /nfs/dbraw/zinc/49/77/17/450497717.db2.gz JYQSTJDBTKGRSR-RTBURBONSA-N 2 1 349.519 1.841 20 0 EDADMP C[N@H+]1CCCC[C@@H](CNC(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000623411071 450517782 /nfs/dbraw/zinc/51/77/82/450517782.db2.gz RQNWJVYGNGOHAX-HNNXBMFYSA-N 2 1 333.480 1.793 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000626076449 450569502 /nfs/dbraw/zinc/56/95/02/450569502.db2.gz NCFAWCUKGJANEQ-FDPIWHGQSA-N 2 1 327.472 1.931 20 0 EDADMP O[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623759259 450579175 /nfs/dbraw/zinc/57/91/75/450579175.db2.gz DYMHPMZBMGUUIF-RTBURBONSA-N 2 1 329.488 1.840 20 0 EDADMP O[C@@H]1CC[N@@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623759259 450579177 /nfs/dbraw/zinc/57/91/77/450579177.db2.gz DYMHPMZBMGUUIF-RTBURBONSA-N 2 1 329.488 1.840 20 0 EDADMP O[C@@H]1CC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623759259 450579181 /nfs/dbraw/zinc/57/91/81/450579181.db2.gz DYMHPMZBMGUUIF-RTBURBONSA-N 2 1 329.488 1.840 20 0 EDADMP O[C@@H]1CC[NH+](CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623759259 450579182 /nfs/dbraw/zinc/57/91/82/450579182.db2.gz DYMHPMZBMGUUIF-RTBURBONSA-N 2 1 329.488 1.840 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)o1 ZINC000627258291 450585823 /nfs/dbraw/zinc/58/58/23/450585823.db2.gz YAVJSGSSDBTDEO-GJZGRUSLSA-N 2 1 335.448 1.403 20 0 EDADMP O[C@H]1CC[N@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623838051 450611044 /nfs/dbraw/zinc/61/10/44/450611044.db2.gz DYMHPMZBMGUUIF-OALUTQOASA-N 2 1 329.488 1.840 20 0 EDADMP O[C@H]1CC[N@@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623838051 450611048 /nfs/dbraw/zinc/61/10/48/450611048.db2.gz DYMHPMZBMGUUIF-OALUTQOASA-N 2 1 329.488 1.840 20 0 EDADMP O[C@H]1CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623838051 450611052 /nfs/dbraw/zinc/61/10/52/450611052.db2.gz DYMHPMZBMGUUIF-OALUTQOASA-N 2 1 329.488 1.840 20 0 EDADMP O[C@H]1CC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623838051 450611059 /nfs/dbraw/zinc/61/10/59/450611059.db2.gz DYMHPMZBMGUUIF-OALUTQOASA-N 2 1 329.488 1.840 20 0 EDADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633086309 450671107 /nfs/dbraw/zinc/67/11/07/450671107.db2.gz PCSCHSSXCQPXJM-OAHLLOKOSA-N 2 1 338.496 1.049 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1CO ZINC000621372345 450705101 /nfs/dbraw/zinc/70/51/01/450705101.db2.gz UEVZGKXULOTLGU-NJAFHUGGSA-N 2 1 333.476 1.356 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000631677877 450710503 /nfs/dbraw/zinc/71/05/03/450710503.db2.gz JDTAOVHJKVYJMW-UHFFFAOYSA-N 2 1 339.505 1.522 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000631677877 450710507 /nfs/dbraw/zinc/71/05/07/450710507.db2.gz JDTAOVHJKVYJMW-UHFFFAOYSA-N 2 1 339.505 1.522 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000629570704 450742605 /nfs/dbraw/zinc/74/26/05/450742605.db2.gz BMVFIXDHUUKHMC-HNNXBMFYSA-N 2 1 343.830 1.752 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000629570704 450742609 /nfs/dbraw/zinc/74/26/09/450742609.db2.gz BMVFIXDHUUKHMC-HNNXBMFYSA-N 2 1 343.830 1.752 20 0 EDADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1CCCC1 ZINC000624208237 450747849 /nfs/dbraw/zinc/74/78/49/450747849.db2.gz DQWMTIWHMZZVNY-KRWDZBQOSA-N 2 1 337.508 1.868 20 0 EDADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000629595358 450754952 /nfs/dbraw/zinc/75/49/52/450754952.db2.gz NFODTEXRWJJLFT-CQSZACIVSA-N 2 1 337.489 1.094 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000629653754 450771674 /nfs/dbraw/zinc/77/16/74/450771674.db2.gz MZTGWTRTAPBYPB-UHFFFAOYSA-N 2 1 332.347 1.685 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000629653754 450771679 /nfs/dbraw/zinc/77/16/79/450771679.db2.gz MZTGWTRTAPBYPB-UHFFFAOYSA-N 2 1 332.347 1.685 20 0 EDADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841586 450810185 /nfs/dbraw/zinc/81/01/85/450810185.db2.gz MSVWGEYYHGTAOQ-FPCVCCKLSA-N 2 1 347.459 1.200 20 0 EDADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841586 450810193 /nfs/dbraw/zinc/81/01/93/450810193.db2.gz MSVWGEYYHGTAOQ-FPCVCCKLSA-N 2 1 347.459 1.200 20 0 EDADMP CCCn1nccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000631829179 450801573 /nfs/dbraw/zinc/80/15/73/450801573.db2.gz JIHIVRDPDAPZBY-INIZCTEOSA-N 2 1 333.480 1.943 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@@H](C[NH3+])Cc3ccccc32)CC1 ZINC000631893757 450853110 /nfs/dbraw/zinc/85/31/10/450853110.db2.gz ZCERMMYBFJCQCJ-JKSUJKDBSA-N 2 1 330.476 1.177 20 0 EDADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)C[C@H]21 ZINC000627655457 450871533 /nfs/dbraw/zinc/87/15/33/450871533.db2.gz RLCYBHRTLNZABC-WDNDVIMCSA-N 2 1 347.369 1.837 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000630018843 450957736 /nfs/dbraw/zinc/95/77/36/450957736.db2.gz JSOHLSHUXRFAAJ-GOSISDBHSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+](CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000630018843 450957742 /nfs/dbraw/zinc/95/77/42/450957742.db2.gz JSOHLSHUXRFAAJ-GOSISDBHSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+](CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000630018843 450957745 /nfs/dbraw/zinc/95/77/45/450957745.db2.gz JSOHLSHUXRFAAJ-GOSISDBHSA-N 2 1 331.460 1.354 20 0 EDADMP C[C@H]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[NH2+]1 ZINC000626924774 451008934 /nfs/dbraw/zinc/00/89/34/451008934.db2.gz XDDZFDSZDPKNNE-YJBOKZPZSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@@H](CNC(=O)NCCOCCC[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000626939398 451020147 /nfs/dbraw/zinc/02/01/47/451020147.db2.gz BOTIQRVVLKYGEI-ZDUSSCGKSA-N 2 1 340.493 1.159 20 0 EDADMP C[C@@H](CNC(=O)NCCOCCC[NH3+])[N@H+]1CCc2sccc2C1 ZINC000626939398 451020153 /nfs/dbraw/zinc/02/01/53/451020153.db2.gz BOTIQRVVLKYGEI-ZDUSSCGKSA-N 2 1 340.493 1.159 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000633797309 451021190 /nfs/dbraw/zinc/02/11/90/451021190.db2.gz KAJLCNDANCCSTB-KBAYOESNSA-N 2 1 331.460 1.201 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000633797309 451021196 /nfs/dbraw/zinc/02/11/96/451021196.db2.gz KAJLCNDANCCSTB-KBAYOESNSA-N 2 1 331.460 1.201 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000633797309 451021200 /nfs/dbraw/zinc/02/12/00/451021200.db2.gz KAJLCNDANCCSTB-KBAYOESNSA-N 2 1 331.460 1.201 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000633797309 451021207 /nfs/dbraw/zinc/02/12/07/451021207.db2.gz KAJLCNDANCCSTB-KBAYOESNSA-N 2 1 331.460 1.201 20 0 EDADMP [NH3+]CCCOCCNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000626954669 451032417 /nfs/dbraw/zinc/03/24/17/451032417.db2.gz ILZPPFIBKCFULQ-GOSISDBHSA-N 2 1 348.491 1.563 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632122423 451052746 /nfs/dbraw/zinc/05/27/46/451052746.db2.gz UVLSDJATICFNFT-CVEARBPZSA-N 2 1 329.510 1.218 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635604049 451097976 /nfs/dbraw/zinc/09/79/76/451097976.db2.gz UJDXHKKFZNFKRS-QZTJIDSGSA-N 2 1 344.503 1.655 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000626997396 451063120 /nfs/dbraw/zinc/06/31/20/451063120.db2.gz RCIXQBWNJXBQJI-CQSZACIVSA-N 2 1 345.447 1.777 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000635570777 451068714 /nfs/dbraw/zinc/06/87/14/451068714.db2.gz LXKZRYKXFARWIX-QGZVFWFLSA-N 2 1 334.508 1.101 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000624946528 451074198 /nfs/dbraw/zinc/07/41/98/451074198.db2.gz XONVBVNTGYFFDH-GVDBMIGSSA-N 2 1 338.496 1.148 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000635597949 451093728 /nfs/dbraw/zinc/09/37/28/451093728.db2.gz AJMZGBPJDIXGFI-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000635597949 451093732 /nfs/dbraw/zinc/09/37/32/451093732.db2.gz AJMZGBPJDIXGFI-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000635597949 451093736 /nfs/dbraw/zinc/09/37/36/451093736.db2.gz AJMZGBPJDIXGFI-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000635597949 451093739 /nfs/dbraw/zinc/09/37/39/451093739.db2.gz AJMZGBPJDIXGFI-WDSOQIARSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC000627072053 451111045 /nfs/dbraw/zinc/11/10/45/451111045.db2.gz YDDQMXAJUFHOKZ-IRXDYDNUSA-N 2 1 334.464 1.176 20 0 EDADMP CN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000635709618 451188217 /nfs/dbraw/zinc/18/82/17/451188217.db2.gz PBQFXWVROZNEFT-OTWHNJEPSA-N 2 1 345.487 1.470 20 0 EDADMP CN1CCCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000635709617 451188915 /nfs/dbraw/zinc/18/89/15/451188915.db2.gz PBQFXWVROZNEFT-FHWLQOOXSA-N 2 1 345.487 1.470 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000635782271 451236491 /nfs/dbraw/zinc/23/64/91/451236491.db2.gz FHUDYEXJZAGMIO-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@H](NC(=O)Cc1cccc2c1CC[NH2+]C2)[C@H](C)[NH+]1CCOCC1 ZINC000638099686 451265764 /nfs/dbraw/zinc/26/57/64/451265764.db2.gz ISFXUGNUKBVRPA-GJZGRUSLSA-N 2 1 331.460 1.100 20 0 EDADMP COc1cccc([C@@H]([NH3+])C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC000638109980 451276641 /nfs/dbraw/zinc/27/66/41/451276641.db2.gz YIOOFQIZHYTTNR-QGZVFWFLSA-N 2 1 349.475 1.701 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638110620 451278455 /nfs/dbraw/zinc/27/84/55/451278455.db2.gz GVNWXRAXTGBNIL-PKOBYXMFSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000638124303 451293428 /nfs/dbraw/zinc/29/34/28/451293428.db2.gz RXRYMPVHCZFNQH-NJAFHUGGSA-N 2 1 332.492 1.387 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000638124303 451293432 /nfs/dbraw/zinc/29/34/32/451293432.db2.gz RXRYMPVHCZFNQH-NJAFHUGGSA-N 2 1 332.492 1.387 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000638124303 451293436 /nfs/dbraw/zinc/29/34/36/451293436.db2.gz RXRYMPVHCZFNQH-NJAFHUGGSA-N 2 1 332.492 1.387 20 0 EDADMP CC[C@H](NC(=O)CCC1C[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638136402 451308150 /nfs/dbraw/zinc/30/81/50/451308150.db2.gz ZEOWTKHCELSTJQ-RBUKOAKNSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@H](NC(=O)CCC1C[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638136402 451308156 /nfs/dbraw/zinc/30/81/56/451308156.db2.gz ZEOWTKHCELSTJQ-RBUKOAKNSA-N 2 1 345.487 1.782 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C2=CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000638137391 451310966 /nfs/dbraw/zinc/31/09/66/451310966.db2.gz JSKUKARMWCNEEZ-RBUKOAKNSA-N 2 1 342.487 1.529 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C2=CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000638137391 451310970 /nfs/dbraw/zinc/31/09/70/451310970.db2.gz JSKUKARMWCNEEZ-RBUKOAKNSA-N 2 1 342.487 1.529 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C2=CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000638137391 451310974 /nfs/dbraw/zinc/31/09/74/451310974.db2.gz JSKUKARMWCNEEZ-RBUKOAKNSA-N 2 1 342.487 1.529 20 0 EDADMP C[C@H](C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)[NH+]1CCCCCC1 ZINC000640518377 451369339 /nfs/dbraw/zinc/36/93/39/451369339.db2.gz IQRXUFAQOBNDSG-IKGGRYGDSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCn1nc2ccccn2c1=O ZINC000640531244 451382860 /nfs/dbraw/zinc/38/28/60/451382860.db2.gz NFTWKBDWLXYQSX-UHFFFAOYSA-N 2 1 331.464 1.694 20 0 EDADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000640533854 451383975 /nfs/dbraw/zinc/38/39/75/451383975.db2.gz XLKVSSZDGMQQRB-QGZVFWFLSA-N 2 1 345.553 1.856 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCN3CCC4)C2)cc1 ZINC000634457074 451346667 /nfs/dbraw/zinc/34/66/67/451346667.db2.gz QPHMHSVZJQVQMH-RBUKOAKNSA-N 2 1 342.487 1.075 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)cc1 ZINC000634457074 451346671 /nfs/dbraw/zinc/34/66/71/451346671.db2.gz QPHMHSVZJQVQMH-RBUKOAKNSA-N 2 1 342.487 1.075 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)cc1 ZINC000634457074 451346675 /nfs/dbraw/zinc/34/66/75/451346675.db2.gz QPHMHSVZJQVQMH-RBUKOAKNSA-N 2 1 342.487 1.075 20 0 EDADMP [NH3+]C1(CC(=O)NCCn2cccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000638277350 451396963 /nfs/dbraw/zinc/39/69/63/451396963.db2.gz RQCCTIRDXLROCG-UHFFFAOYSA-N 2 1 341.459 1.383 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000638297980 451412956 /nfs/dbraw/zinc/41/29/56/451412956.db2.gz QKDJYZFNJHVRLI-WBVHZDCISA-N 2 1 336.867 1.107 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000638297980 451412963 /nfs/dbraw/zinc/41/29/63/451412963.db2.gz QKDJYZFNJHVRLI-WBVHZDCISA-N 2 1 336.867 1.107 20 0 EDADMP CO[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCOC1 ZINC000638304591 451418961 /nfs/dbraw/zinc/41/89/61/451418961.db2.gz IGAVOWGFQXCBAW-OALUTQOASA-N 2 1 334.460 1.660 20 0 EDADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Cn1cccn1 ZINC000634699508 451472500 /nfs/dbraw/zinc/47/25/00/451472500.db2.gz KOEYFBBIFOSOND-IEBWSBKVSA-N 2 1 328.460 1.746 20 0 EDADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cn1cccn1 ZINC000634699508 451472504 /nfs/dbraw/zinc/47/25/04/451472504.db2.gz KOEYFBBIFOSOND-IEBWSBKVSA-N 2 1 328.460 1.746 20 0 EDADMP CC[NH+]1CCC(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634700739 451474007 /nfs/dbraw/zinc/47/40/07/451474007.db2.gz DWXSJECMIFUVCB-FQEVSTJZSA-N 3 1 331.504 1.945 20 0 EDADMP CC[NH+]1CCC(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634700739 451474010 /nfs/dbraw/zinc/47/40/10/451474010.db2.gz DWXSJECMIFUVCB-FQEVSTJZSA-N 3 1 331.504 1.945 20 0 EDADMP CC1(C)CN(CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000634703696 451479568 /nfs/dbraw/zinc/47/95/68/451479568.db2.gz ZXUXSYQRMZFCAQ-HXUWFJFHSA-N 2 1 347.503 1.324 20 0 EDADMP CC1(C)CN(CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000634703696 451479572 /nfs/dbraw/zinc/47/95/72/451479572.db2.gz ZXUXSYQRMZFCAQ-HXUWFJFHSA-N 2 1 347.503 1.324 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638395869 451486639 /nfs/dbraw/zinc/48/66/39/451486639.db2.gz ZDRNYXZIDAFWML-OIPACUDHSA-N 2 1 349.475 1.179 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638395869 451486644 /nfs/dbraw/zinc/48/66/44/451486644.db2.gz ZDRNYXZIDAFWML-OIPACUDHSA-N 2 1 349.475 1.179 20 0 EDADMP C[C@](O)(C[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000634711240 451490775 /nfs/dbraw/zinc/49/07/75/451490775.db2.gz LRLFHDGWTBHDQV-ZCNNSNEGSA-N 2 1 348.487 1.255 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCNC(=O)C3)c2)CCO1 ZINC000638419055 451503551 /nfs/dbraw/zinc/50/35/51/451503551.db2.gz FFGKFQXTIGXQLE-CRAIPNDOSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCNC(=O)C3)c2)CCO1 ZINC000638419055 451503557 /nfs/dbraw/zinc/50/35/57/451503557.db2.gz FFGKFQXTIGXQLE-CRAIPNDOSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000634724052 451504603 /nfs/dbraw/zinc/50/46/03/451504603.db2.gz IUATYCKMSXCCBC-RLLQIKCJSA-N 3 1 331.504 1.801 20 0 EDADMP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000634729536 451510460 /nfs/dbraw/zinc/51/04/60/451510460.db2.gz NZUGDTZPQPQHQA-BBRMVZONSA-N 2 1 340.489 1.238 20 0 EDADMP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000634729536 451510467 /nfs/dbraw/zinc/51/04/67/451510467.db2.gz NZUGDTZPQPQHQA-BBRMVZONSA-N 2 1 340.489 1.238 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C[C@H]2CC[NH+](C)C2)cc1 ZINC000636257019 451627503 /nfs/dbraw/zinc/62/75/03/451627503.db2.gz ZYWGJMKADORDJP-SJORKVTESA-N 2 1 331.460 1.728 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C[C@H]2CC[NH+](C)C2)cc1 ZINC000636257019 451627507 /nfs/dbraw/zinc/62/75/07/451627507.db2.gz ZYWGJMKADORDJP-SJORKVTESA-N 2 1 331.460 1.728 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000636257019 451627511 /nfs/dbraw/zinc/62/75/11/451627511.db2.gz ZYWGJMKADORDJP-SJORKVTESA-N 2 1 331.460 1.728 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000636257019 451627515 /nfs/dbraw/zinc/62/75/15/451627515.db2.gz ZYWGJMKADORDJP-SJORKVTESA-N 2 1 331.460 1.728 20 0 EDADMP CN(CCOCC[NH3+])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638671244 451643347 /nfs/dbraw/zinc/64/33/47/451643347.db2.gz WAYKVPSAZNCJIR-RBUKOAKNSA-N 2 1 345.487 1.578 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@H+]1C ZINC000631246431 451660480 /nfs/dbraw/zinc/66/04/80/451660480.db2.gz CRFHMCXWILRZCN-OKZBNKHCSA-N 2 1 336.524 1.344 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000631246431 451660486 /nfs/dbraw/zinc/66/04/86/451660486.db2.gz CRFHMCXWILRZCN-OKZBNKHCSA-N 2 1 336.524 1.344 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000631246431 451660491 /nfs/dbraw/zinc/66/04/91/451660491.db2.gz CRFHMCXWILRZCN-OKZBNKHCSA-N 2 1 336.524 1.344 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000631246431 451660495 /nfs/dbraw/zinc/66/04/95/451660495.db2.gz CRFHMCXWILRZCN-OKZBNKHCSA-N 2 1 336.524 1.344 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000631246431 451660499 /nfs/dbraw/zinc/66/04/99/451660499.db2.gz CRFHMCXWILRZCN-OKZBNKHCSA-N 2 1 336.524 1.344 20 0 EDADMP C[C@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000637032462 451689612 /nfs/dbraw/zinc/68/96/12/451689612.db2.gz AYOPMUVLEYGUNA-UXLLHSPISA-N 2 1 338.496 1.005 20 0 EDADMP C[C@H](NC(=O)NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637032462 451689615 /nfs/dbraw/zinc/68/96/15/451689615.db2.gz AYOPMUVLEYGUNA-UXLLHSPISA-N 2 1 338.496 1.005 20 0 EDADMP C[C@H](NC(=O)NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000637032462 451689618 /nfs/dbraw/zinc/68/96/18/451689618.db2.gz AYOPMUVLEYGUNA-UXLLHSPISA-N 2 1 338.496 1.005 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000638834740 451705738 /nfs/dbraw/zinc/70/57/38/451705738.db2.gz IAGJJZSRVOELKA-NVXWUHKLSA-N 2 1 331.460 1.249 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000638849789 451710338 /nfs/dbraw/zinc/71/03/38/451710338.db2.gz HALHZZDFQKLCIC-RHSMWYFYSA-N 2 1 339.443 1.433 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638984239 451745639 /nfs/dbraw/zinc/74/56/39/451745639.db2.gz LBIQQXFHMTZDDU-UHFFFAOYSA-N 2 1 345.472 1.867 20 0 EDADMP O=C(Cc1n[nH]c2ccccc21)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638988442 451748188 /nfs/dbraw/zinc/74/81/88/451748188.db2.gz YJYPLXDBYAUXKY-UHFFFAOYSA-N 2 1 336.399 1.549 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3csc(CC[NH3+])n3)C2)cc1 ZINC000639006393 451751612 /nfs/dbraw/zinc/75/16/12/451751612.db2.gz WHNLJQPHIXKQKG-HNNXBMFYSA-N 2 1 344.484 1.957 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccccc3OC3CC3)nn2)CC1 ZINC000641157929 451764871 /nfs/dbraw/zinc/76/48/71/451764871.db2.gz BYDFXFFZQCDWNQ-UHFFFAOYSA-N 2 1 341.459 1.833 20 0 EDADMP CC[N@H+](C)C[C@H](O)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000641224443 451789153 /nfs/dbraw/zinc/78/91/53/451789153.db2.gz ZOXXBIDVRCCLMP-WMZOPIPTSA-N 2 1 329.448 1.368 20 0 EDADMP CC[N@@H+](C)C[C@H](O)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000641224443 451789155 /nfs/dbraw/zinc/78/91/55/451789155.db2.gz ZOXXBIDVRCCLMP-WMZOPIPTSA-N 2 1 329.448 1.368 20 0 EDADMP O=C(NCC[NH2+]C1CC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000637340497 451793767 /nfs/dbraw/zinc/79/37/67/451793767.db2.gz TVKYAXADBPCVLR-UHFFFAOYSA-N 2 1 334.439 1.795 20 0 EDADMP O=C(NCC[NH2+]C1CC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000637340497 451793768 /nfs/dbraw/zinc/79/37/68/451793768.db2.gz TVKYAXADBPCVLR-UHFFFAOYSA-N 2 1 334.439 1.795 20 0 EDADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000639308080 451818143 /nfs/dbraw/zinc/81/81/43/451818143.db2.gz LEBMMUZLGRXUOE-LZQZEXGQSA-N 2 1 345.487 1.790 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc(N)nc1N ZINC000639358796 451843292 /nfs/dbraw/zinc/84/32/92/451843292.db2.gz DJTJKGQYYGZARX-CJNGLKHVSA-N 2 1 326.448 1.159 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc(N)nc1N ZINC000639358796 451843297 /nfs/dbraw/zinc/84/32/97/451843297.db2.gz DJTJKGQYYGZARX-CJNGLKHVSA-N 2 1 326.448 1.159 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000644617964 451898136 /nfs/dbraw/zinc/89/81/36/451898136.db2.gz QHORCVIAXRLMBH-WMZOPIPTSA-N 2 1 331.460 1.080 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000644617964 451898144 /nfs/dbraw/zinc/89/81/44/451898144.db2.gz QHORCVIAXRLMBH-WMZOPIPTSA-N 2 1 331.460 1.080 20 0 EDADMP CN(C)C(=O)C1(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CCCC1 ZINC000644564771 451864376 /nfs/dbraw/zinc/86/43/76/451864376.db2.gz SRDRYOJTTNFFHY-GOSISDBHSA-N 2 1 347.503 1.718 20 0 EDADMP CN(C)C(=O)C1(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000644564771 451864383 /nfs/dbraw/zinc/86/43/83/451864383.db2.gz SRDRYOJTTNFFHY-GOSISDBHSA-N 2 1 347.503 1.718 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CCO1 ZINC000646846779 451884531 /nfs/dbraw/zinc/88/45/31/451884531.db2.gz WFFXSQYKAYZPJT-TUKIKUTGSA-N 2 1 325.840 1.517 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000644601435 451887232 /nfs/dbraw/zinc/88/72/32/451887232.db2.gz UMQSTHDLGNKBJV-MOPGFXCFSA-N 2 1 348.487 1.797 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000644601435 451887238 /nfs/dbraw/zinc/88/72/38/451887238.db2.gz UMQSTHDLGNKBJV-MOPGFXCFSA-N 2 1 348.487 1.797 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)c3cccc(CN4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC000646934906 451950051 /nfs/dbraw/zinc/95/00/51/451950051.db2.gz XNKNKXAFXIJEKD-RTBURBONSA-N 2 1 342.487 1.210 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@]2(N)CC[NH+](C)C2)cc1 ZINC000649288271 451962165 /nfs/dbraw/zinc/96/21/65/451962165.db2.gz HBJICGLIEPEVDC-UZLBHIALSA-N 2 1 344.503 1.710 20 0 EDADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@]2(N)CC[N@H+](C)C2)cc1 ZINC000649288271 451962171 /nfs/dbraw/zinc/96/21/71/451962171.db2.gz HBJICGLIEPEVDC-UZLBHIALSA-N 2 1 344.503 1.710 20 0 EDADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@]2(N)CC[N@@H+](C)C2)cc1 ZINC000649288271 451962176 /nfs/dbraw/zinc/96/21/76/451962176.db2.gz HBJICGLIEPEVDC-UZLBHIALSA-N 2 1 344.503 1.710 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649288462 451963072 /nfs/dbraw/zinc/96/30/72/451963072.db2.gz SBQHXMFZZCZUEB-LPHOPBHVSA-N 2 1 345.487 1.771 20 0 EDADMP CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000649304940 451981559 /nfs/dbraw/zinc/98/15/59/451981559.db2.gz OUQUJIWUHOHHAO-INIZCTEOSA-N 2 1 332.448 1.386 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000649308753 451986427 /nfs/dbraw/zinc/98/64/27/451986427.db2.gz ZECVDXHUBKEMGH-CVEARBPZSA-N 2 1 344.459 1.530 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000649313816 451991656 /nfs/dbraw/zinc/99/16/56/451991656.db2.gz YPQHQOFRNQLNGY-CWRNSKLLSA-N 2 1 344.459 1.320 20 0 EDADMP C[NH+]1CCN(CCCC[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651676724 452007681 /nfs/dbraw/zinc/00/76/81/452007681.db2.gz KPOIQLXSTCCYOS-UHFFFAOYSA-N 2 1 328.464 1.385 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000649327669 452008140 /nfs/dbraw/zinc/00/81/40/452008140.db2.gz DKEWHORSUFAYMM-STQMWFEESA-N 2 1 326.391 1.854 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000641499880 452031345 /nfs/dbraw/zinc/03/13/45/452031345.db2.gz LRAOSTPNLONFSX-AWEZNQCLSA-N 2 1 339.505 1.682 20 0 EDADMP CC(C)([NH3+])CCC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000649351288 452036211 /nfs/dbraw/zinc/03/62/11/452036211.db2.gz HCESCIXUPCBWSO-UHFFFAOYSA-N 2 1 336.455 1.581 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N(C3CC3)[C@H]3CC[NH2+]C3)CC2)[nH+]c1 ZINC000649353938 452036684 /nfs/dbraw/zinc/03/66/84/452036684.db2.gz ISZLKXNEFOSJTA-KRWDZBQOSA-N 2 1 328.460 1.959 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000649352619 452037548 /nfs/dbraw/zinc/03/75/48/452037548.db2.gz ADGSJYPDLQQNQC-SFHVURJKSA-N 2 1 344.503 1.301 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3[NH2+]CCc4ccccc43)CC2)C1 ZINC000649352708 452037979 /nfs/dbraw/zinc/03/79/79/452037979.db2.gz GJCKUDKGPVEVBX-MJGOQNOKSA-N 2 1 342.487 1.112 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@]2(N)CC[NH+](C)C2)CC1 ZINC000649378636 452051505 /nfs/dbraw/zinc/05/15/05/452051505.db2.gz PUPYQSLPQHXZOJ-LPHOPBHVSA-N 2 1 336.524 1.523 20 0 EDADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@]2(N)CC[N@H+](C)C2)CC1 ZINC000649378636 452051509 /nfs/dbraw/zinc/05/15/09/452051509.db2.gz PUPYQSLPQHXZOJ-LPHOPBHVSA-N 2 1 336.524 1.523 20 0 EDADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@]2(N)CC[N@@H+](C)C2)CC1 ZINC000649378636 452051514 /nfs/dbraw/zinc/05/15/14/452051514.db2.gz PUPYQSLPQHXZOJ-LPHOPBHVSA-N 2 1 336.524 1.523 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@]2([NH3+])CCN(C)C2)CC1 ZINC000649378636 452051518 /nfs/dbraw/zinc/05/15/18/452051518.db2.gz PUPYQSLPQHXZOJ-LPHOPBHVSA-N 2 1 336.524 1.523 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@]2([NH3+])CCN(C)C2)CC1 ZINC000649378636 452051523 /nfs/dbraw/zinc/05/15/23/452051523.db2.gz PUPYQSLPQHXZOJ-LPHOPBHVSA-N 2 1 336.524 1.523 20 0 EDADMP [NH3+]C1(CNC(=O)C[C@H]2CC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000647090632 452054873 /nfs/dbraw/zinc/05/48/73/452054873.db2.gz GJXHZMYNGPOJEQ-QGZVFWFLSA-N 2 1 330.476 1.096 20 0 EDADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000643215036 452076241 /nfs/dbraw/zinc/07/62/41/452076241.db2.gz UMRQULYQHOOWMA-OAHLLOKOSA-N 2 1 332.448 1.828 20 0 EDADMP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)n1 ZINC000649418268 452079978 /nfs/dbraw/zinc/07/99/78/452079978.db2.gz RFNBRNUZZUCHIE-ZACQAIPSSA-N 2 1 345.491 1.627 20 0 EDADMP [NH3+]CC1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000637803720 452090207 /nfs/dbraw/zinc/09/02/07/452090207.db2.gz HBIPDCYXCPKXCU-UHFFFAOYSA-N 3 1 344.503 1.567 20 0 EDADMP [NH3+]C1(CC(=O)NC[C@@H]2CCC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000637815214 452098479 /nfs/dbraw/zinc/09/84/79/452098479.db2.gz UBMZBUBLBLOVSW-GOSISDBHSA-N 3 1 344.503 1.486 20 0 EDADMP COCCOCC[N@H+](C)CCC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000637830489 452105608 /nfs/dbraw/zinc/10/56/08/452105608.db2.gz ZWAXUCZBBSZZED-UHFFFAOYSA-N 2 1 335.448 1.108 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000637830489 452105614 /nfs/dbraw/zinc/10/56/14/452105614.db2.gz ZWAXUCZBBSZZED-UHFFFAOYSA-N 2 1 335.448 1.108 20 0 EDADMP Cn1c2ccccc2cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1=O ZINC000653777662 452110390 /nfs/dbraw/zinc/11/03/90/452110390.db2.gz RCKOFZVMFUBFIK-UHFFFAOYSA-N 2 1 341.455 1.835 20 0 EDADMP C[C@@](C[NH3+])(NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000637841374 452111773 /nfs/dbraw/zinc/11/17/73/452111773.db2.gz JYRGZNFALFNJLM-IBGZPJMESA-N 3 1 344.503 1.614 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000637950795 452196667 /nfs/dbraw/zinc/19/66/67/452196667.db2.gz BCZQQPFEEIPTSC-LBPRGKRZSA-N 2 1 325.375 1.098 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCCOC1 ZINC000649755577 452233511 /nfs/dbraw/zinc/23/35/11/452233511.db2.gz RKNORSIKRSVBPF-ROUUACIJSA-N 2 1 333.476 1.906 20 0 EDADMP CC[C@@H](C)[C@@H](O)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637993511 452235282 /nfs/dbraw/zinc/23/52/82/452235282.db2.gz RXXOTVZJYMXBAK-AEFFLSMTSA-N 2 1 347.503 1.893 20 0 EDADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cnc2n1CCC2 ZINC000657469290 452268141 /nfs/dbraw/zinc/26/81/41/452268141.db2.gz ROUCKQKMNBKSCG-UHFFFAOYSA-N 2 1 329.448 1.845 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000641801143 452274549 /nfs/dbraw/zinc/27/45/49/452274549.db2.gz ALRMTROVXFLIMK-HUUCEWRRSA-N 2 1 336.505 1.108 20 0 EDADMP O=C(NC1CC1)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000647541268 452275518 /nfs/dbraw/zinc/27/55/18/452275518.db2.gz VPPUHSWRDXXCPQ-GOSISDBHSA-N 2 1 328.460 1.058 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000641802258 452277010 /nfs/dbraw/zinc/27/70/10/452277010.db2.gz IMAAHTPUWBPRLE-UAGQMJEPSA-N 2 1 330.476 1.345 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000641805937 452286534 /nfs/dbraw/zinc/28/65/34/452286534.db2.gz PBNGAGLBHLVKSC-RYUDHWBXSA-N 2 1 327.331 1.662 20 0 EDADMP COCCOc1ccc(CNC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641809670 452290988 /nfs/dbraw/zinc/29/09/88/452290988.db2.gz YKWBSKZMAHMJJF-JKSUJKDBSA-N 2 1 335.448 1.043 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659443048 452291379 /nfs/dbraw/zinc/29/13/79/452291379.db2.gz WYLDUAFQLFQYLO-PSPFXIJKSA-N 2 1 328.460 1.955 20 0 EDADMP C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000641814529 452295734 /nfs/dbraw/zinc/29/57/34/452295734.db2.gz MLFHWVLHSRMQBJ-CVEARBPZSA-N 2 1 338.496 1.100 20 0 EDADMP CC[NH+]1CCCN(c2cnc(N3CCC[N@H+](CC)CC3)cn2)CC1 ZINC000663578793 452301918 /nfs/dbraw/zinc/30/19/18/452301918.db2.gz MUQXWFCKTMRWKA-UHFFFAOYSA-N 2 1 332.496 1.541 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652120242 452315275 /nfs/dbraw/zinc/31/52/75/452315275.db2.gz BNDDRYRGNDVCNY-BQFCYCMXSA-N 2 1 338.496 1.114 20 0 EDADMP CCN(Cc1ccccn1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665760000 452332091 /nfs/dbraw/zinc/33/20/91/452332091.db2.gz WDUQTTNTUPQVGW-INIZCTEOSA-N 2 1 335.496 1.885 20 0 EDADMP CCN(Cc1ccccn1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665760000 452332098 /nfs/dbraw/zinc/33/20/98/452332098.db2.gz WDUQTTNTUPQVGW-INIZCTEOSA-N 2 1 335.496 1.885 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659484190 452344214 /nfs/dbraw/zinc/34/42/14/452344214.db2.gz PJJHBFXAWSNTLS-KGXSXCIVSA-N 2 1 342.487 1.948 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000659485185 452346779 /nfs/dbraw/zinc/34/67/79/452346779.db2.gz KKWFJHTULVHYAZ-WBVHZDCISA-N 2 1 334.464 1.185 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665763799 452349440 /nfs/dbraw/zinc/34/94/40/452349440.db2.gz MCTVLPMAOAOTIL-IRXDYDNUSA-N 2 1 341.544 1.384 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCOC1(C)C ZINC000665764996 452352078 /nfs/dbraw/zinc/35/20/78/452352078.db2.gz XEJLITVYMRUYNG-GJZGRUSLSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCOC1(C)C ZINC000665764996 452352081 /nfs/dbraw/zinc/35/20/81/452352081.db2.gz XEJLITVYMRUYNG-GJZGRUSLSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000659493907 452357171 /nfs/dbraw/zinc/35/71/71/452357171.db2.gz YFKSMMPVJLBBBY-DZUCGIPZSA-N 2 1 334.439 1.730 20 0 EDADMP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000638062960 452358631 /nfs/dbraw/zinc/35/86/31/452358631.db2.gz KOWPQNABNQPRNG-MJGOQNOKSA-N 2 1 333.476 1.910 20 0 EDADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000657596947 452366274 /nfs/dbraw/zinc/36/62/74/452366274.db2.gz PQTMSJUBYHBKPI-GOSISDBHSA-N 2 1 327.428 1.947 20 0 EDADMP CCO[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652174515 452368491 /nfs/dbraw/zinc/36/84/91/452368491.db2.gz WOSZHNGYVNVYQD-XDNAFOTISA-N 2 1 346.475 1.437 20 0 EDADMP [NH3+]CCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659509673 452373581 /nfs/dbraw/zinc/37/35/81/452373581.db2.gz GXUIZBSHUKXQFI-KRWDZBQOSA-N 2 1 330.476 1.937 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638069448 452374331 /nfs/dbraw/zinc/37/43/31/452374331.db2.gz KEEZSHATJKVVJM-SJLPKXTDSA-N 2 1 332.492 1.294 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638069448 452374341 /nfs/dbraw/zinc/37/43/41/452374341.db2.gz KEEZSHATJKVVJM-SJLPKXTDSA-N 2 1 332.492 1.294 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638069448 452374350 /nfs/dbraw/zinc/37/43/50/452374350.db2.gz KEEZSHATJKVVJM-SJLPKXTDSA-N 2 1 332.492 1.294 20 0 EDADMP O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000659513908 452377152 /nfs/dbraw/zinc/37/71/52/452377152.db2.gz MCMHCZUWNHYDDJ-SJLPKXTDSA-N 2 1 346.475 1.052 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000638071975 452380117 /nfs/dbraw/zinc/38/01/17/452380117.db2.gz JFBODRHDKURKQR-XOYOTBSWSA-N 2 1 331.460 1.662 20 0 EDADMP C[C@@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)[N@@H+]1CCc2sccc2C1 ZINC000638071761 452381775 /nfs/dbraw/zinc/38/17/75/452381775.db2.gz MNTZINLQIQNOLF-SUMWQHHRSA-N 2 1 337.489 1.366 20 0 EDADMP C[C@@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)[N@H+]1CCc2sccc2C1 ZINC000638071761 452381779 /nfs/dbraw/zinc/38/17/79/452381779.db2.gz MNTZINLQIQNOLF-SUMWQHHRSA-N 2 1 337.489 1.366 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CS1 ZINC000665808685 452385495 /nfs/dbraw/zinc/38/54/95/452385495.db2.gz FMVSMLKQDWXXTR-FMKPAKJESA-N 2 1 340.537 1.690 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CS1 ZINC000665808685 452385502 /nfs/dbraw/zinc/38/55/02/452385502.db2.gz FMVSMLKQDWXXTR-FMKPAKJESA-N 2 1 340.537 1.690 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@]2(COC)CCCC[NH2+]2)c1 ZINC000638078658 452393210 /nfs/dbraw/zinc/39/32/10/452393210.db2.gz DYSJUZUAGLHHAS-IBGZPJMESA-N 2 1 333.476 1.913 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000638079270 452394904 /nfs/dbraw/zinc/39/49/04/452394904.db2.gz ROWIJBSUPNYDDU-PKOBYXMFSA-N 2 1 347.459 1.267 20 0 EDADMP CCN(C(=O)NCCCC[NH+]1CCN(CC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000663656116 452397553 /nfs/dbraw/zinc/39/75/53/452397553.db2.gz SLNANKLRAOZTPI-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP CCN(C(=O)NCCCCN1CC[NH+](CC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000663656116 452397563 /nfs/dbraw/zinc/39/75/63/452397563.db2.gz SLNANKLRAOZTPI-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP CCN(C(=O)NCCCCN1CC[NH+](CC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000663656116 452397574 /nfs/dbraw/zinc/39/75/74/452397574.db2.gz SLNANKLRAOZTPI-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000654351216 452400464 /nfs/dbraw/zinc/40/04/64/452400464.db2.gz CWWFGCOPTWDUQZ-OKZBNKHCSA-N 2 1 330.476 1.900 20 0 EDADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647709573 452443278 /nfs/dbraw/zinc/44/32/78/452443278.db2.gz YVRPBXVTZXYIAP-KSZLIROESA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000647709573 452443289 /nfs/dbraw/zinc/44/32/89/452443289.db2.gz YVRPBXVTZXYIAP-KSZLIROESA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000647709573 452443294 /nfs/dbraw/zinc/44/32/94/452443294.db2.gz YVRPBXVTZXYIAP-KSZLIROESA-N 2 1 335.492 1.451 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000659587616 452444048 /nfs/dbraw/zinc/44/40/48/452444048.db2.gz UEDGTPWLYKJWFJ-QZTJIDSGSA-N 2 1 346.475 1.488 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000659621720 452479088 /nfs/dbraw/zinc/47/90/88/452479088.db2.gz AUGBPKJGPJNCBZ-HZPDHXFCSA-N 2 1 326.485 1.256 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C1 ZINC000663773298 452500730 /nfs/dbraw/zinc/50/07/30/452500730.db2.gz FFIAEWZZLXLSOG-ARFHVFGLSA-N 2 1 336.480 1.023 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000663773298 452500743 /nfs/dbraw/zinc/50/07/43/452500743.db2.gz FFIAEWZZLXLSOG-ARFHVFGLSA-N 2 1 336.480 1.023 20 0 EDADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652345372 452516581 /nfs/dbraw/zinc/51/65/81/452516581.db2.gz ANSHVKBQRQJVOC-MPGHIAIKSA-N 2 1 347.459 1.852 20 0 EDADMP c1cc2c(s1)CCN(CC[NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000655698010 452519155 /nfs/dbraw/zinc/51/91/55/452519155.db2.gz YQNIQDJGSKDDQP-KRWDZBQOSA-N 2 1 335.517 1.949 20 0 EDADMP C[C@@H]1CN(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000655698810 452519874 /nfs/dbraw/zinc/51/98/74/452519874.db2.gz WMNJBIFNNRJHHJ-LMMKCTJWSA-N 2 1 339.524 1.719 20 0 EDADMP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652345521 452520645 /nfs/dbraw/zinc/52/06/45/452520645.db2.gz DFWJENRLFSVJKR-ADHGMGHFSA-N 2 1 337.508 1.709 20 0 EDADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346917 452522927 /nfs/dbraw/zinc/52/29/27/452522927.db2.gz LJRYJSLRHVRYKW-JKQORVJESA-N 2 1 325.497 1.898 20 0 EDADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H](C)N1CCOCC1 ZINC000655711951 452528739 /nfs/dbraw/zinc/52/87/39/452528739.db2.gz KOJCQMJIZTYFQM-BQFCYCMXSA-N 2 1 325.497 1.329 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655710784 452528998 /nfs/dbraw/zinc/52/89/98/452528998.db2.gz FGEWLMPGZBQQKA-MOPGFXCFSA-N 2 1 339.524 1.456 20 0 EDADMP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655710784 452529003 /nfs/dbraw/zinc/52/90/03/452529003.db2.gz FGEWLMPGZBQQKA-MOPGFXCFSA-N 3 1 339.524 1.456 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655710784 452529013 /nfs/dbraw/zinc/52/90/13/452529013.db2.gz FGEWLMPGZBQQKA-MOPGFXCFSA-N 3 1 339.524 1.456 20 0 EDADMP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652361182 452541588 /nfs/dbraw/zinc/54/15/88/452541588.db2.gz ZBGQNVNMEXGWRR-RZFLPCETSA-N 2 1 337.508 1.852 20 0 EDADMP C[NH+](C)CCOc1cc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)ccn1 ZINC000655736015 452548374 /nfs/dbraw/zinc/54/83/74/452548374.db2.gz CKBIHPMRIVRUIP-GOSISDBHSA-N 2 1 348.491 1.365 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000655742175 452550220 /nfs/dbraw/zinc/55/02/20/452550220.db2.gz XQCLDDLHJREIGC-AEFFLSMTSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000655742175 452550227 /nfs/dbraw/zinc/55/02/27/452550227.db2.gz XQCLDDLHJREIGC-AEFFLSMTSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000655742175 452550237 /nfs/dbraw/zinc/55/02/37/452550237.db2.gz XQCLDDLHJREIGC-AEFFLSMTSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000655742175 452550247 /nfs/dbraw/zinc/55/02/47/452550247.db2.gz XQCLDDLHJREIGC-AEFFLSMTSA-N 2 1 346.475 1.319 20 0 EDADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)[C@@H]2C1 ZINC000655767900 452566189 /nfs/dbraw/zinc/56/61/89/452566189.db2.gz MVRFYRRWUNOUKT-FFGOWVMKSA-N 2 1 349.519 1.866 20 0 EDADMP OCCC[N@@H+]1CCC[C@H](NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655772683 452568712 /nfs/dbraw/zinc/56/87/12/452568712.db2.gz ZYOCZRVNQNOUNE-ZWKOTPCHSA-N 2 1 325.497 1.066 20 0 EDADMP OCCC[N@H+]1CCC[C@H](NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655772683 452568715 /nfs/dbraw/zinc/56/87/15/452568715.db2.gz ZYOCZRVNQNOUNE-ZWKOTPCHSA-N 2 1 325.497 1.066 20 0 EDADMP CCC[C@H](NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647834919 452570149 /nfs/dbraw/zinc/57/01/49/452570149.db2.gz FDZWVZYVJWULSK-SFHVURJKSA-N 2 1 332.492 1.481 20 0 EDADMP CCC[C@H](NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647834919 452570158 /nfs/dbraw/zinc/57/01/58/452570158.db2.gz FDZWVZYVJWULSK-SFHVURJKSA-N 2 1 332.492 1.481 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@H]1n1cccn1 ZINC000655771885 452570596 /nfs/dbraw/zinc/57/05/96/452570596.db2.gz QHRHEGLRKLPIBE-FCGDIQPGSA-N 2 1 348.491 1.835 20 0 EDADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835034 452571558 /nfs/dbraw/zinc/57/15/58/452571558.db2.gz KAXOIRAPVGHLKX-HNNXBMFYSA-N 2 1 336.455 1.182 20 0 EDADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835034 452571568 /nfs/dbraw/zinc/57/15/68/452571568.db2.gz KAXOIRAPVGHLKX-HNNXBMFYSA-N 2 1 336.455 1.182 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000647835673 452572866 /nfs/dbraw/zinc/57/28/66/452572866.db2.gz IAYAOHZBWGOLNV-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000647835673 452572870 /nfs/dbraw/zinc/57/28/70/452572870.db2.gz IAYAOHZBWGOLNV-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659714569 452605163 /nfs/dbraw/zinc/60/51/63/452605163.db2.gz XXJXDCNAZJFOSK-OAHLLOKOSA-N 2 1 338.496 1.014 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000655851018 452609264 /nfs/dbraw/zinc/60/92/64/452609264.db2.gz HZCXNJTWTGFTJA-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000655851018 452609271 /nfs/dbraw/zinc/60/92/71/452609271.db2.gz HZCXNJTWTGFTJA-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000655851018 452609278 /nfs/dbraw/zinc/60/92/78/452609278.db2.gz HZCXNJTWTGFTJA-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659726283 452621062 /nfs/dbraw/zinc/62/10/62/452621062.db2.gz CALFPECEYPMKFP-MRXNPFEDSA-N 2 1 346.475 1.011 20 0 EDADMP COc1ccc(CCC(=O)N2CCC[N@H+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647882933 452621058 /nfs/dbraw/zinc/62/10/58/452621058.db2.gz QKVHAWWUVJFZEE-GOSISDBHSA-N 2 1 345.487 1.772 20 0 EDADMP COc1ccc(CCC(=O)N2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647882933 452621067 /nfs/dbraw/zinc/62/10/67/452621067.db2.gz QKVHAWWUVJFZEE-GOSISDBHSA-N 2 1 345.487 1.772 20 0 EDADMP CCN1C[C@H](C)N(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)C[C@H]1C ZINC000652456957 452649510 /nfs/dbraw/zinc/64/95/10/452649510.db2.gz TZBINLZEWDYKQN-CVEARBPZSA-N 2 1 340.512 1.022 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH+](C)CC(C)C)C[C@H]1C ZINC000652456957 452649518 /nfs/dbraw/zinc/64/95/18/452649518.db2.gz TZBINLZEWDYKQN-CVEARBPZSA-N 2 1 340.512 1.022 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCC[NH+](C)CC(C)C)C[C@H]1C ZINC000652456957 452649521 /nfs/dbraw/zinc/64/95/21/452649521.db2.gz TZBINLZEWDYKQN-CVEARBPZSA-N 2 1 340.512 1.022 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)C[C@H]1C ZINC000652456957 452649530 /nfs/dbraw/zinc/64/95/30/452649530.db2.gz TZBINLZEWDYKQN-CVEARBPZSA-N 2 1 340.512 1.022 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)C[C@H]1C ZINC000652456957 452649538 /nfs/dbraw/zinc/64/95/38/452649538.db2.gz TZBINLZEWDYKQN-CVEARBPZSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000652460613 452656458 /nfs/dbraw/zinc/65/64/58/452656458.db2.gz AHEWFUAOJPVJNH-CVEARBPZSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000652460613 452656464 /nfs/dbraw/zinc/65/64/64/452656464.db2.gz AHEWFUAOJPVJNH-CVEARBPZSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000652460613 452656471 /nfs/dbraw/zinc/65/64/71/452656471.db2.gz AHEWFUAOJPVJNH-CVEARBPZSA-N 2 1 340.512 1.022 20 0 EDADMP C[C@@H](CNC(=O)NCCCC[N@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654587981 452671593 /nfs/dbraw/zinc/67/15/93/452671593.db2.gz IYKNYWCOZYNGMK-HRCADAONSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654587981 452671603 /nfs/dbraw/zinc/67/16/03/452671603.db2.gz IYKNYWCOZYNGMK-HRCADAONSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H](CNC(=O)NCCCC[NH+](C)C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654587981 452671613 /nfs/dbraw/zinc/67/16/13/452671613.db2.gz IYKNYWCOZYNGMK-HRCADAONSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H](CNC(=O)NCCCC[NH+](C)C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654587981 452671620 /nfs/dbraw/zinc/67/16/20/452671620.db2.gz IYKNYWCOZYNGMK-HRCADAONSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655922133 452685955 /nfs/dbraw/zinc/68/59/55/452685955.db2.gz QDKYXBXMXMVVNS-GXTWGEPZSA-N 2 1 344.381 1.792 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655922133 452685964 /nfs/dbraw/zinc/68/59/64/452685964.db2.gz QDKYXBXMXMVVNS-GXTWGEPZSA-N 2 1 344.381 1.792 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000645685221 452687506 /nfs/dbraw/zinc/68/75/06/452687506.db2.gz WCIMFXMUCHDVDX-UKRRQHHQSA-N 2 1 340.265 1.833 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C[C@@H]1Cc1ccccc1 ZINC000655927848 452695407 /nfs/dbraw/zinc/69/54/07/452695407.db2.gz IWBVKJVXBLQREI-UONOGXRCSA-N 2 1 344.381 1.444 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C[C@@H]1Cc1ccccc1 ZINC000655927848 452695409 /nfs/dbraw/zinc/69/54/09/452695409.db2.gz IWBVKJVXBLQREI-UONOGXRCSA-N 2 1 344.381 1.444 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H](Cc2ccccc2)C1 ZINC000655931018 452700079 /nfs/dbraw/zinc/70/00/79/452700079.db2.gz FMUCIBLRHMJEDN-ZIAGYGMSSA-N 2 1 344.381 1.444 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H](Cc2ccccc2)C1 ZINC000655931018 452700082 /nfs/dbraw/zinc/70/00/82/452700082.db2.gz FMUCIBLRHMJEDN-ZIAGYGMSSA-N 2 1 344.381 1.444 20 0 EDADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCc2c[nH]nn2)CC1 ZINC000647970266 452716746 /nfs/dbraw/zinc/71/67/46/452716746.db2.gz JPALZEHVIAVIKY-AWEZNQCLSA-N 2 1 346.454 1.979 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655959190 452739593 /nfs/dbraw/zinc/73/95/93/452739593.db2.gz QQABMBLKQBMDAC-IAGOWNOFSA-N 2 1 344.459 1.525 20 0 EDADMP COC1([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CCOCC1 ZINC000658135801 452746727 /nfs/dbraw/zinc/74/67/27/452746727.db2.gz FGBMBDVVAXFEJS-LPHOPBHVSA-N 2 1 348.487 1.927 20 0 EDADMP CO[C@@H](C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000659877668 452755382 /nfs/dbraw/zinc/75/53/82/452755382.db2.gz JQQSOFVFKKJCKV-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP COc1ncncc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000648023508 452760307 /nfs/dbraw/zinc/76/03/07/452760307.db2.gz IZNOBNGOMALNER-UHFFFAOYSA-N 2 1 333.480 1.335 20 0 EDADMP COCc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ncn1 ZINC000666381004 452823821 /nfs/dbraw/zinc/82/38/21/452823821.db2.gz JWDLROAXVDMSFU-ZDUSSCGKSA-N 2 1 338.456 1.017 20 0 EDADMP COCc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ncn1 ZINC000666381004 452823830 /nfs/dbraw/zinc/82/38/30/452823830.db2.gz JWDLROAXVDMSFU-ZDUSSCGKSA-N 2 1 338.456 1.017 20 0 EDADMP CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000652696352 452843619 /nfs/dbraw/zinc/84/36/19/452843619.db2.gz KKVWJHPMUHXGAZ-HNNXBMFYSA-N 2 1 338.496 1.016 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000648147031 452858717 /nfs/dbraw/zinc/85/87/17/452858717.db2.gz ZLRGGMIMVIZPFU-PVAVHDDUSA-N 2 1 333.432 1.050 20 0 EDADMP CC(C)([NH3+])CC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000648149134 452860238 /nfs/dbraw/zinc/86/02/38/452860238.db2.gz ORNWQSPVKBTPIJ-UHFFFAOYSA-N 2 1 334.464 1.260 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000654745126 452876980 /nfs/dbraw/zinc/87/69/80/452876980.db2.gz MYHLLFCVRKSQBQ-SJLPKXTDSA-N 2 1 331.460 1.034 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000654745126 452876985 /nfs/dbraw/zinc/87/69/85/452876985.db2.gz MYHLLFCVRKSQBQ-SJLPKXTDSA-N 2 1 331.460 1.034 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000662142864 452878034 /nfs/dbraw/zinc/87/80/34/452878034.db2.gz OWKYEZMFTOHJMN-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000662142864 452878046 /nfs/dbraw/zinc/87/80/46/452878046.db2.gz OWKYEZMFTOHJMN-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000662142864 452878057 /nfs/dbraw/zinc/87/80/57/452878057.db2.gz OWKYEZMFTOHJMN-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP [NH3+]C1(CNC(=O)[C@@H]2CCCCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000648178147 452891602 /nfs/dbraw/zinc/89/16/02/452891602.db2.gz VFTCPVICQFNGRB-SFHVURJKSA-N 2 1 344.503 1.628 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCc3nc(C)no3)CC2)CC1 ZINC000645929117 452903988 /nfs/dbraw/zinc/90/39/88/452903988.db2.gz SBOHVOGAMKXJQU-UHFFFAOYSA-N 2 1 335.496 1.803 20 0 EDADMP Cc1cc(C)n(-c2cncc(NCC[N@@H+](C)CCC[NH+](C)C)n2)n1 ZINC000664248304 452928106 /nfs/dbraw/zinc/92/81/06/452928106.db2.gz ZBIHHBQFRWVVBS-UHFFFAOYSA-N 2 1 331.468 1.575 20 0 EDADMP Cc1cc(C)n(-c2cncc(NCC[N@H+](C)CCC[NH+](C)C)n2)n1 ZINC000664248304 452928110 /nfs/dbraw/zinc/92/81/10/452928110.db2.gz ZBIHHBQFRWVVBS-UHFFFAOYSA-N 2 1 331.468 1.575 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)CC2)C1 ZINC000646003178 452998833 /nfs/dbraw/zinc/99/88/33/452998833.db2.gz VNXWVSXGEQJFPR-SFHVURJKSA-N 2 1 328.460 1.142 20 0 EDADMP c1nc([C@@H]2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n2c1CCCC2 ZINC000662283111 453006183 /nfs/dbraw/zinc/00/61/83/453006183.db2.gz QWYHGJNMNTXUBB-WBVHZDCISA-N 2 1 330.476 1.920 20 0 EDADMP CS(=O)(=O)[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000662297193 453018924 /nfs/dbraw/zinc/01/89/24/453018924.db2.gz CWDBPPMOQIUJNW-IJLUTSLNSA-N 2 1 328.400 1.283 20 0 EDADMP CS(=O)(=O)[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000662297193 453018931 /nfs/dbraw/zinc/01/89/31/453018931.db2.gz CWDBPPMOQIUJNW-IJLUTSLNSA-N 2 1 328.400 1.283 20 0 EDADMP c1cc2c(cc1C[N@@H+](CCN1CCOCC1)CC1CC1)C[NH2+]CC2 ZINC000662315519 453032686 /nfs/dbraw/zinc/03/26/86/453032686.db2.gz QJGNKHWXYNACAO-UHFFFAOYSA-N 2 1 329.488 1.877 20 0 EDADMP CC(C)CNC(=O)CCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000660152883 453084255 /nfs/dbraw/zinc/08/42/55/453084255.db2.gz CCEOZCXQQUVOBG-QZTJIDSGSA-N 2 1 338.540 1.497 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662387714 453097110 /nfs/dbraw/zinc/09/71/10/453097110.db2.gz HPVBLQWZRSZZQL-LSDHHAIUSA-N 2 1 333.480 1.729 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCCN(CC(C)(C)C)C1=O)CCO2 ZINC000646105922 453108540 /nfs/dbraw/zinc/10/85/40/453108540.db2.gz MCNBGYLOSJXRNO-MRXNPFEDSA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCCN(CC(C)(C)C)C1=O)CCO2 ZINC000646105922 453108548 /nfs/dbraw/zinc/10/85/48/453108548.db2.gz MCNBGYLOSJXRNO-MRXNPFEDSA-N 2 1 337.508 1.820 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000648737508 453225003 /nfs/dbraw/zinc/22/50/03/453225003.db2.gz SMVGFAOCMNYQGU-MRXNPFEDSA-N 2 1 348.491 1.967 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000648769595 453247256 /nfs/dbraw/zinc/24/72/56/453247256.db2.gz BPKGJDPJXUIHMN-CRAIPNDOSA-N 2 1 333.476 1.626 20 0 EDADMP C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648795231 453279554 /nfs/dbraw/zinc/27/95/54/453279554.db2.gz XPDYDTOMKPAREE-YQVWRLOYSA-N 2 1 344.503 1.654 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648795231 453279566 /nfs/dbraw/zinc/27/95/66/453279566.db2.gz XPDYDTOMKPAREE-YQVWRLOYSA-N 2 1 344.503 1.654 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648795231 453279574 /nfs/dbraw/zinc/27/95/74/453279574.db2.gz XPDYDTOMKPAREE-YQVWRLOYSA-N 2 1 344.503 1.654 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccccc1Cl ZINC000653106127 453287533 /nfs/dbraw/zinc/28/75/33/453287533.db2.gz UZINHFWMWQVCCV-NUTKFTJISA-N 2 1 337.851 1.295 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646338148 453329535 /nfs/dbraw/zinc/32/95/35/453329535.db2.gz CBVDVGARPNIOPD-KSZLIROESA-N 2 1 328.460 1.504 20 0 EDADMP CN1CC(=O)N(CC[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)C1=O ZINC000660481123 453337086 /nfs/dbraw/zinc/33/70/86/453337086.db2.gz IZTIEVSXTSYOBI-CQSZACIVSA-N 2 1 345.447 1.293 20 0 EDADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC(C[NH+]2CCOCC2)C1 ZINC000646355360 453341742 /nfs/dbraw/zinc/34/17/42/453341742.db2.gz ICUFGRNLUZFFGE-UHFFFAOYSA-N 2 1 343.471 1.687 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000660486687 453343828 /nfs/dbraw/zinc/34/38/28/453343828.db2.gz MEGULQCVUZNWDL-HIFRSBDPSA-N 2 1 339.446 1.940 20 0 EDADMP COc1cc(CCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)on1 ZINC000667054493 453369863 /nfs/dbraw/zinc/36/98/63/453369863.db2.gz JYIBBNCEGOXNQL-UHFFFAOYSA-N 2 1 345.403 1.401 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000655246304 453370236 /nfs/dbraw/zinc/37/02/36/453370236.db2.gz HABVIOWXLWCMKX-OKZBNKHCSA-N 2 1 330.476 1.750 20 0 EDADMP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000662661912 453375212 /nfs/dbraw/zinc/37/52/12/453375212.db2.gz XAWNIYFWPYWLIG-OAHLLOKOSA-N 2 1 325.403 1.746 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000662661912 453375216 /nfs/dbraw/zinc/37/52/16/453375216.db2.gz XAWNIYFWPYWLIG-OAHLLOKOSA-N 2 1 325.403 1.746 20 0 EDADMP CCN(C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000664758951 453383197 /nfs/dbraw/zinc/38/31/97/453383197.db2.gz RBYWKRRPASZXDD-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CCN(C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000664758951 453383205 /nfs/dbraw/zinc/38/32/05/453383205.db2.gz RBYWKRRPASZXDD-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CCN(C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000664758951 453383216 /nfs/dbraw/zinc/38/32/16/453383216.db2.gz RBYWKRRPASZXDD-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CC[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000662680397 453400864 /nfs/dbraw/zinc/40/08/64/453400864.db2.gz TVFQIUDKLQXAAC-SQNIBIBYSA-N 2 1 331.460 1.303 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000651264304 453408150 /nfs/dbraw/zinc/40/81/50/453408150.db2.gz RALWURJCEDZRSJ-MRXNPFEDSA-N 2 1 336.480 1.571 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662694767 453416118 /nfs/dbraw/zinc/41/61/18/453416118.db2.gz CJJNRKRDEHRKTD-OWCLPIDISA-N 2 1 348.495 1.443 20 0 EDADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000655299293 453422176 /nfs/dbraw/zinc/42/21/76/453422176.db2.gz ZBUKAGYTOYDLHV-RBUKOAKNSA-N 2 1 345.487 1.810 20 0 EDADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000655299293 453422183 /nfs/dbraw/zinc/42/21/83/453422183.db2.gz ZBUKAGYTOYDLHV-RBUKOAKNSA-N 2 1 345.487 1.810 20 0 EDADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000655299293 453422190 /nfs/dbraw/zinc/42/21/90/453422190.db2.gz ZBUKAGYTOYDLHV-RBUKOAKNSA-N 2 1 345.487 1.810 20 0 EDADMP CCCN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000648999974 453467423 /nfs/dbraw/zinc/46/74/23/453467423.db2.gz LSQUSHAUVKOJOS-QGZVFWFLSA-N 2 1 345.491 1.390 20 0 EDADMP CCCN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000648999974 453467437 /nfs/dbraw/zinc/46/74/37/453467437.db2.gz LSQUSHAUVKOJOS-QGZVFWFLSA-N 2 1 345.491 1.390 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@H]1c1cccs1 ZINC000662746965 453476065 /nfs/dbraw/zinc/47/60/65/453476065.db2.gz ZOGLBUYSGCOFTK-NYTXWWLZSA-N 2 1 337.489 1.611 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CC3([NH3+])CC3)C2)cc(OC)c1 ZINC000662750463 453482679 /nfs/dbraw/zinc/48/26/79/453482679.db2.gz SJEVTHDOVVMDFN-CQSZACIVSA-N 2 1 333.432 1.276 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)CC3([NH3+])CC3)C2)cc(OC)c1 ZINC000662750463 453482690 /nfs/dbraw/zinc/48/26/90/453482690.db2.gz SJEVTHDOVVMDFN-CQSZACIVSA-N 2 1 333.432 1.276 20 0 EDADMP CCC[C@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)CC[N@H+]1CCOC ZINC000662826017 453553096 /nfs/dbraw/zinc/55/30/96/453553096.db2.gz QPMDMGBBSPZXOD-INIZCTEOSA-N 2 1 331.460 1.863 20 0 EDADMP CCn1cc([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000665055205 453557837 /nfs/dbraw/zinc/55/78/37/453557837.db2.gz ITQXWUXADASMOP-GJZGRUSLSA-N 2 1 338.500 1.535 20 0 EDADMP CCn1cc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000665055205 453557840 /nfs/dbraw/zinc/55/78/40/453557840.db2.gz ITQXWUXADASMOP-GJZGRUSLSA-N 2 1 338.500 1.535 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000665119889 453582436 /nfs/dbraw/zinc/58/24/36/453582436.db2.gz PMPICKFCOWWBMY-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659029105 453588489 /nfs/dbraw/zinc/58/84/89/453588489.db2.gz SLFCWMZTTAXPSX-KRWDZBQOSA-N 2 1 348.447 1.191 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000660829455 453592526 /nfs/dbraw/zinc/59/25/26/453592526.db2.gz GFBLXVROXOXGHD-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000660829455 453592529 /nfs/dbraw/zinc/59/25/29/453592529.db2.gz GFBLXVROXOXGHD-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000660829455 453592531 /nfs/dbraw/zinc/59/25/31/453592531.db2.gz GFBLXVROXOXGHD-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000662899450 453594510 /nfs/dbraw/zinc/59/45/10/453594510.db2.gz DCVPKGWIIMWKJW-HNAYVOBHSA-N 2 1 344.503 1.947 20 0 EDADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000662899450 453594513 /nfs/dbraw/zinc/59/45/13/453594513.db2.gz DCVPKGWIIMWKJW-HNAYVOBHSA-N 2 1 344.503 1.947 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000660841705 453600351 /nfs/dbraw/zinc/60/03/51/453600351.db2.gz QSHZABIJLZKMAJ-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660866584 453623219 /nfs/dbraw/zinc/62/32/19/453623219.db2.gz PFOOSGJOIWBQEC-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659089987 453624831 /nfs/dbraw/zinc/62/48/31/453624831.db2.gz GSOSBMFJJLBKLF-AWEZNQCLSA-N 2 1 346.475 1.581 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659096076 453629163 /nfs/dbraw/zinc/62/91/63/453629163.db2.gz KSGYGKXCQCGVSH-DOMZBBRYSA-N 2 1 332.448 1.634 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290937 453638034 /nfs/dbraw/zinc/63/80/34/453638034.db2.gz PFAXGRSCNAKRLB-PBHICJAKSA-N 2 1 341.459 1.641 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000660901588 453638585 /nfs/dbraw/zinc/63/85/85/453638585.db2.gz DZICTPODTFSUAT-ROUUACIJSA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000660901588 453638590 /nfs/dbraw/zinc/63/85/90/453638590.db2.gz DZICTPODTFSUAT-ROUUACIJSA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000660901588 453638594 /nfs/dbraw/zinc/63/85/94/453638594.db2.gz DZICTPODTFSUAT-ROUUACIJSA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000660901588 453638598 /nfs/dbraw/zinc/63/85/98/453638598.db2.gz DZICTPODTFSUAT-ROUUACIJSA-N 2 1 333.476 1.326 20 0 EDADMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(-n2ccnn2)c1 ZINC000665292845 453638785 /nfs/dbraw/zinc/63/87/85/453638785.db2.gz KNVYFDFJTSQJSW-NSHDSACASA-N 2 1 325.376 1.072 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)C1 ZINC000660908847 453642410 /nfs/dbraw/zinc/64/24/10/453642410.db2.gz GGLQWFREIFBAKE-YESZJQIVSA-N 2 1 338.496 1.413 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000660908847 453642414 /nfs/dbraw/zinc/64/24/14/453642414.db2.gz GGLQWFREIFBAKE-YESZJQIVSA-N 2 1 338.496 1.413 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000659248044 453684164 /nfs/dbraw/zinc/68/41/64/453684164.db2.gz SBKCGMKMAUOHQF-MSOLQXFVSA-N 2 1 333.476 1.862 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000665554527 453746160 /nfs/dbraw/zinc/74/61/60/453746160.db2.gz NFDYXVSXGNDONV-CABCVRRESA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+]1CC(C)(C)O ZINC000665554527 453746161 /nfs/dbraw/zinc/74/61/61/453746161.db2.gz NFDYXVSXGNDONV-CABCVRRESA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+]1CC(C)(C)O ZINC000665554527 453746164 /nfs/dbraw/zinc/74/61/64/453746164.db2.gz NFDYXVSXGNDONV-CABCVRRESA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCOc2ccccc2C1 ZINC000665639354 453778708 /nfs/dbraw/zinc/77/87/08/453778708.db2.gz VXBXDNLSJRYMDN-INIZCTEOSA-N 2 1 348.491 1.863 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCOc2ccccc2C1 ZINC000665639354 453778710 /nfs/dbraw/zinc/77/87/10/453778710.db2.gz VXBXDNLSJRYMDN-INIZCTEOSA-N 2 1 348.491 1.863 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663363821 453779966 /nfs/dbraw/zinc/77/99/66/453779966.db2.gz NCOBTNWPMVFEAQ-UXHICEINSA-N 2 1 347.503 1.322 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COCc1cccs1 ZINC000663365446 453780700 /nfs/dbraw/zinc/78/07/00/453780700.db2.gz ZVJYCBABHKNEIR-CVEARBPZSA-N 2 1 340.489 1.469 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000661402619 453811438 /nfs/dbraw/zinc/81/14/38/453811438.db2.gz HKEUJZCAEMHQJF-LSDHHAIUSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000661402619 453811441 /nfs/dbraw/zinc/81/14/41/453811441.db2.gz HKEUJZCAEMHQJF-LSDHHAIUSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000661402619 453811444 /nfs/dbraw/zinc/81/14/44/453811444.db2.gz HKEUJZCAEMHQJF-LSDHHAIUSA-N 2 1 340.512 1.346 20 0 EDADMP Cc1cccc2nc(CNC(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)cn21 ZINC000676245076 486704883 /nfs/dbraw/zinc/70/48/83/486704883.db2.gz DPOUKSVIBUHTEM-DZGCQCFKSA-N 2 1 331.420 1.161 20 0 EDADMP C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676332625 486738803 /nfs/dbraw/zinc/73/88/03/486738803.db2.gz PCDOHSFDEKRMNY-YJBOKZPZSA-N 2 1 331.460 1.731 20 0 EDADMP C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676332625 486738809 /nfs/dbraw/zinc/73/88/09/486738809.db2.gz PCDOHSFDEKRMNY-YJBOKZPZSA-N 2 1 331.460 1.731 20 0 EDADMP CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000680471101 486783821 /nfs/dbraw/zinc/78/38/21/486783821.db2.gz UWGHJOXMMFERLU-JKSUJKDBSA-N 2 1 329.510 1.265 20 0 EDADMP CC[N@H+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1C ZINC000683812559 486825711 /nfs/dbraw/zinc/82/57/11/486825711.db2.gz BCPAPHDXGYLQCK-CQSZACIVSA-N 2 1 334.468 1.708 20 0 EDADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000676699806 486846034 /nfs/dbraw/zinc/84/60/34/486846034.db2.gz FLSPQLYRNLVTPY-QZTJIDSGSA-N 2 1 335.492 1.763 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000681162127 486954906 /nfs/dbraw/zinc/95/49/06/486954906.db2.gz YOEORJFYFRCBNC-HZPDHXFCSA-N 2 1 339.528 1.042 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000684442098 487062408 /nfs/dbraw/zinc/06/24/08/487062408.db2.gz VJHRWAGFWRIRKT-LBPRGKRZSA-N 2 1 344.463 1.683 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000677429918 487078683 /nfs/dbraw/zinc/07/86/83/487078683.db2.gz NUUALQFIDMCVLB-WMZOPIPTSA-N 2 1 328.460 1.957 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000677429918 487078687 /nfs/dbraw/zinc/07/86/87/487078687.db2.gz NUUALQFIDMCVLB-WMZOPIPTSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000677429918 487078694 /nfs/dbraw/zinc/07/86/94/487078694.db2.gz NUUALQFIDMCVLB-WMZOPIPTSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000677429918 487078696 /nfs/dbraw/zinc/07/86/96/487078696.db2.gz NUUALQFIDMCVLB-WMZOPIPTSA-N 2 1 328.460 1.957 20 0 EDADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673666858 487083309 /nfs/dbraw/zinc/08/33/09/487083309.db2.gz KSBLNFPAAASOIE-ICSRJNTNSA-N 2 1 343.471 1.224 20 0 EDADMP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000673666858 487083313 /nfs/dbraw/zinc/08/33/13/487083313.db2.gz KSBLNFPAAASOIE-ICSRJNTNSA-N 2 1 343.471 1.224 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000673666858 487083315 /nfs/dbraw/zinc/08/33/15/487083315.db2.gz KSBLNFPAAASOIE-ICSRJNTNSA-N 2 1 343.471 1.224 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CC)C1 ZINC000673775901 487111204 /nfs/dbraw/zinc/11/12/04/487111204.db2.gz FIEXCFYVJXOJSK-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP C[N@H+](CCCN1CCCC1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681712036 487139482 /nfs/dbraw/zinc/13/94/82/487139482.db2.gz YHMJOTXHQSRVDD-FQEVSTJZSA-N 2 1 345.487 1.568 20 0 EDADMP C[N@@H+](CCCN1CCCC1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681712036 487139488 /nfs/dbraw/zinc/13/94/88/487139488.db2.gz YHMJOTXHQSRVDD-FQEVSTJZSA-N 2 1 345.487 1.568 20 0 EDADMP C[NH+](CCCN1CCCC1=O)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681712036 487139491 /nfs/dbraw/zinc/13/94/91/487139491.db2.gz YHMJOTXHQSRVDD-FQEVSTJZSA-N 2 1 345.487 1.568 20 0 EDADMP C[NH+](CCCN1CCCC1=O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681712036 487139497 /nfs/dbraw/zinc/13/94/97/487139497.db2.gz YHMJOTXHQSRVDD-FQEVSTJZSA-N 2 1 345.487 1.568 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)nc(C)[nH+]1 ZINC000674148501 487208176 /nfs/dbraw/zinc/20/81/76/487208176.db2.gz OLLFJYSYAGUZRS-MRXNPFEDSA-N 2 1 346.479 1.456 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CCC[N@H+](C)C3)CC2)nc(C)[nH+]1 ZINC000674148501 487208179 /nfs/dbraw/zinc/20/81/79/487208179.db2.gz OLLFJYSYAGUZRS-MRXNPFEDSA-N 2 1 346.479 1.456 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000681975986 487270113 /nfs/dbraw/zinc/27/01/13/487270113.db2.gz APRUYQCKMIXZGL-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP COC[C@H](C)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000685460697 487279132 /nfs/dbraw/zinc/27/91/32/487279132.db2.gz GGQHBBSFUSBVDR-ZACQAIPSSA-N 2 1 328.497 1.859 20 0 EDADMP COC[C@H](C)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000685460697 487279133 /nfs/dbraw/zinc/27/91/33/487279133.db2.gz GGQHBBSFUSBVDR-ZACQAIPSSA-N 2 1 328.497 1.859 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1-n1cncn1 ZINC000678338478 487291885 /nfs/dbraw/zinc/29/18/85/487291885.db2.gz AWWNFAJJKVABIW-QRQLOZEOSA-N 2 1 341.459 1.951 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000536047528 487354705 /nfs/dbraw/zinc/35/47/05/487354705.db2.gz JFQMNJJSPMWWJB-QGZVFWFLSA-N 2 1 325.416 1.401 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000536047528 487354710 /nfs/dbraw/zinc/35/47/10/487354710.db2.gz JFQMNJJSPMWWJB-QGZVFWFLSA-N 2 1 325.416 1.401 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000682595910 487393770 /nfs/dbraw/zinc/39/37/70/487393770.db2.gz WYNJOQDDRURESV-UHFFFAOYSA-N 2 1 344.419 1.006 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)[C@H]3CCCCO3)cn2)CC1 ZINC000675553300 487422042 /nfs/dbraw/zinc/42/20/42/487422042.db2.gz VFTBWBMBEFIGOE-QGZVFWFLSA-N 2 1 347.507 1.913 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000682876285 487425531 /nfs/dbraw/zinc/42/55/31/487425531.db2.gz GBSGGTGSNJMHMU-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000682876285 487425532 /nfs/dbraw/zinc/42/55/32/487425532.db2.gz GBSGGTGSNJMHMU-CABCVRRESA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679501145 487432865 /nfs/dbraw/zinc/43/28/65/487432865.db2.gz ZQTQXFDNWRHFTH-CYBMUJFWSA-N 2 1 344.419 1.052 20 0 EDADMP Cc1ccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)c(N2CCCC2)[nH+]1 ZINC000679704870 487459627 /nfs/dbraw/zinc/45/96/27/487459627.db2.gz GUHNLSACWAWUFY-GOSISDBHSA-N 2 1 349.479 1.102 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)NC/C=C\C[NH3+] ZINC000669533117 485509810 /nfs/dbraw/zinc/50/98/10/485509810.db2.gz QOOWLHXANYDZAE-SXZNDUFUSA-N 2 1 330.476 1.957 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538363 485520723 /nfs/dbraw/zinc/52/07/23/485520723.db2.gz NOKIIXAFLQIGTA-NXOAAHMSSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538363 485520733 /nfs/dbraw/zinc/52/07/33/485520733.db2.gz NOKIIXAFLQIGTA-NXOAAHMSSA-N 2 1 338.496 1.269 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)NC[C@@H](C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000669554265 485552735 /nfs/dbraw/zinc/55/27/35/485552735.db2.gz ZTHNNEORHUOVAC-OAUYIBNBSA-N 2 1 332.448 1.619 20 0 EDADMP Cc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)c(N2CCCC2)[nH+]1 ZINC000669555695 485557790 /nfs/dbraw/zinc/55/77/90/485557790.db2.gz AYIOXVQLVBUAKR-INIZCTEOSA-N 2 1 347.463 1.168 20 0 EDADMP CC(C)[C@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)[NH+]1CCOCC1 ZINC000669021141 485567961 /nfs/dbraw/zinc/56/79/61/485567961.db2.gz HWYYKIJWCFZIIN-SFHVURJKSA-N 2 1 346.475 1.446 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669561170 485569232 /nfs/dbraw/zinc/56/92/32/485569232.db2.gz TUAIWADPNZWAHX-YSHGAJCASA-N 2 1 342.487 1.900 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCCO1 ZINC000669570868 485592422 /nfs/dbraw/zinc/59/24/22/485592422.db2.gz CIHCTUPKYVHOQR-SJLPKXTDSA-N 2 1 338.496 1.272 20 0 EDADMP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000669131918 485719377 /nfs/dbraw/zinc/71/93/77/485719377.db2.gz VFGYBOQDXMKNCI-OAGGEKHMSA-N 2 1 348.495 1.364 20 0 EDADMP CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC000669131918 485719385 /nfs/dbraw/zinc/71/93/85/485719385.db2.gz VFGYBOQDXMKNCI-OAGGEKHMSA-N 2 1 348.495 1.364 20 0 EDADMP CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC000669131918 485719391 /nfs/dbraw/zinc/71/93/91/485719391.db2.gz VFGYBOQDXMKNCI-OAGGEKHMSA-N 2 1 348.495 1.364 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000345752619 485980820 /nfs/dbraw/zinc/98/08/20/485980820.db2.gz DZXZSZMRVYZXBA-BGTYHANMSA-N 2 1 337.508 1.578 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1)c1ccccc1 ZINC000425541781 486065478 /nfs/dbraw/zinc/06/54/78/486065478.db2.gz GRFPFXTZKBUFDR-HZPDHXFCSA-N 2 1 342.447 1.013 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1)c1ccccc1 ZINC000425541781 486065484 /nfs/dbraw/zinc/06/54/84/486065484.db2.gz GRFPFXTZKBUFDR-HZPDHXFCSA-N 2 1 342.447 1.013 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000669405729 486077395 /nfs/dbraw/zinc/07/73/95/486077395.db2.gz XGTBPEWVSZMSJV-IDCNUPLLSA-N 2 1 346.475 1.580 20 0 EDADMP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000123189072 491001975 /nfs/dbraw/zinc/00/19/75/491001975.db2.gz XBVWJKMIFBQJLC-LMPOIIKSSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000123189072 491001976 /nfs/dbraw/zinc/00/19/76/491001976.db2.gz XBVWJKMIFBQJLC-LMPOIIKSSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000168511064 533893872 /nfs/dbraw/zinc/89/38/72/533893872.db2.gz UYLOQALSVBLKAL-BGTYHANMSA-N 2 1 331.460 1.221 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H]1c1cccs1 ZINC000245424812 536440387 /nfs/dbraw/zinc/44/03/87/536440387.db2.gz KIAWLDFISCFYNI-OFQRWUPVSA-N 2 1 337.489 1.578 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1cccs1 ZINC000245424812 536440389 /nfs/dbraw/zinc/44/03/89/536440389.db2.gz KIAWLDFISCFYNI-OFQRWUPVSA-N 2 1 337.489 1.578 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000245424812 536440391 /nfs/dbraw/zinc/44/03/91/536440391.db2.gz KIAWLDFISCFYNI-OFQRWUPVSA-N 2 1 337.489 1.578 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000245424812 536440394 /nfs/dbraw/zinc/44/03/94/536440394.db2.gz KIAWLDFISCFYNI-OFQRWUPVSA-N 2 1 337.489 1.578 20 0 EDADMP O=C(NCc1c[nH+]c2n1CCCC2)N1CCC([NH+]2CCCC2)CC1 ZINC000367949055 526805799 /nfs/dbraw/zinc/80/57/99/526805799.db2.gz YWXXEQZVHJMFPB-UHFFFAOYSA-N 2 1 331.464 1.989 20 0 EDADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000176861271 528035421 /nfs/dbraw/zinc/03/54/21/528035421.db2.gz NPGIUKZLIFEMKG-QFBILLFUSA-N 2 1 347.503 1.906 20 0 EDADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000176861271 528035430 /nfs/dbraw/zinc/03/54/30/528035430.db2.gz NPGIUKZLIFEMKG-QFBILLFUSA-N 2 1 347.503 1.906 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000067393646 534952608 /nfs/dbraw/zinc/95/26/08/534952608.db2.gz BCCAZSUXBSMLRN-MRXNPFEDSA-N 2 1 346.475 1.535 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1)C(C)C ZINC000339616891 535065508 /nfs/dbraw/zinc/06/55/08/535065508.db2.gz SVQUZMUTJYUXJM-UHFFFAOYSA-N 2 1 340.512 1.164 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000333492960 535082840 /nfs/dbraw/zinc/08/28/40/535082840.db2.gz CODBXVFXLLHJHU-CVEARBPZSA-N 2 1 326.485 1.114 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCS[C@H]3COCC[C@H]32)CC1 ZINC000249088107 535200093 /nfs/dbraw/zinc/20/00/93/535200093.db2.gz UEBFXSWMMUSVLY-SJORKVTESA-N 2 1 327.538 1.609 20 0 EDADMP CC(C)CCOCCNC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000056494145 535385864 /nfs/dbraw/zinc/38/58/64/535385864.db2.gz RORORINJGRGYMZ-UHFFFAOYSA-N 2 1 339.524 1.973 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)C2)nc1 ZINC000346801686 535690277 /nfs/dbraw/zinc/69/02/77/535690277.db2.gz BXVXRCWACWNVTM-CKEIUWERSA-N 2 1 346.475 1.765 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)C2)nc1 ZINC000346801686 535690281 /nfs/dbraw/zinc/69/02/81/535690281.db2.gz BXVXRCWACWNVTM-CKEIUWERSA-N 2 1 346.475 1.765 20 0 EDADMP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H]2CC[N@@H+](C)C2)CC1 ZINC000264328125 535755653 /nfs/dbraw/zinc/75/56/53/535755653.db2.gz RWJRXLDJKVYHMF-MRXNPFEDSA-N 2 1 345.491 1.902 20 0 EDADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261970307 535916465 /nfs/dbraw/zinc/91/64/65/535916465.db2.gz QLVKGRQAXWOMOT-QRVBRYPASA-N 3 1 347.503 1.874 20 0 EDADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261970302 535916513 /nfs/dbraw/zinc/91/65/13/535916513.db2.gz QLVKGRQAXWOMOT-GUDVDZBRSA-N 3 1 347.503 1.874 20 0 EDADMP C[NH2+][C@@H]1CCCN(CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000261737395 536360776 /nfs/dbraw/zinc/36/07/76/536360776.db2.gz KFZCXLKBJXJFHI-LJQANCHMSA-N 2 1 344.503 1.323 20 0 EDADMP C[N@@H+](CCNC(=O)NCCC[NH+]1CCc2ccccc2C1)C1CC1 ZINC000264907845 536378178 /nfs/dbraw/zinc/37/81/78/536378178.db2.gz WDOQCMAYQJUBFT-UHFFFAOYSA-N 2 1 330.476 1.828 20 0 EDADMP C[NH+](CCNC(=O)NCCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000264907845 536378180 /nfs/dbraw/zinc/37/81/80/536378180.db2.gz WDOQCMAYQJUBFT-UHFFFAOYSA-N 2 1 330.476 1.828 20 0 EDADMP C[NH+](CCNC(=O)NCCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000264907845 536378184 /nfs/dbraw/zinc/37/81/84/536378184.db2.gz WDOQCMAYQJUBFT-UHFFFAOYSA-N 2 1 330.476 1.828 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1cnn(C)c1 ZINC000262585126 536383296 /nfs/dbraw/zinc/38/32/96/536383296.db2.gz VESNWANECCCFBE-CVEARBPZSA-N 2 1 333.411 1.239 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000262634480 536769798 /nfs/dbraw/zinc/76/97/98/536769798.db2.gz GQUUGAMNQGNWTQ-PMPSAXMXSA-N 2 1 347.459 1.522 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000262634480 536769802 /nfs/dbraw/zinc/76/98/02/536769802.db2.gz GQUUGAMNQGNWTQ-PMPSAXMXSA-N 2 1 347.459 1.522 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H](C)Cn2cc[nH+]c2C)[N@H+](C)C1 ZINC000346869422 536774128 /nfs/dbraw/zinc/77/41/28/536774128.db2.gz WKBGEPAHOFRQMB-CWRNSKLLSA-N 2 1 337.468 1.188 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H](C)Cn2cc[nH+]c2C)[N@@H+](C)C1 ZINC000346869422 536774131 /nfs/dbraw/zinc/77/41/31/536774131.db2.gz WKBGEPAHOFRQMB-CWRNSKLLSA-N 2 1 337.468 1.188 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)[NH+](C)C1 ZINC000347676088 536774349 /nfs/dbraw/zinc/77/43/49/536774349.db2.gz XLCMJOKCXPDRIO-IXDOHACOSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[NH+]2CC(C)C)[N@H+](C)C1 ZINC000347676088 536774352 /nfs/dbraw/zinc/77/43/52/536774352.db2.gz XLCMJOKCXPDRIO-IXDOHACOSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[NH+]2CC(C)C)[N@@H+](C)C1 ZINC000347676088 536774359 /nfs/dbraw/zinc/77/43/59/536774359.db2.gz XLCMJOKCXPDRIO-IXDOHACOSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCC2([NH+](C)C)CCCC2)[N@@H+](C)C1 ZINC000345852267 536778219 /nfs/dbraw/zinc/77/82/19/536778219.db2.gz LFDKFVIYBPELEK-GJZGRUSLSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000073721170 536787219 /nfs/dbraw/zinc/78/72/19/536787219.db2.gz HDFKLQTWGZWNNS-MQVJKMGUSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000073721170 536787220 /nfs/dbraw/zinc/78/72/20/536787220.db2.gz HDFKLQTWGZWNNS-MQVJKMGUSA-N 2 1 326.485 1.269 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000073721170 536787224 /nfs/dbraw/zinc/78/72/24/536787224.db2.gz HDFKLQTWGZWNNS-MQVJKMGUSA-N 2 1 326.485 1.269 20 0 EDADMP COc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)cc(Cl)c1OCC(N)=O ZINC000066404947 536805044 /nfs/dbraw/zinc/80/50/44/536805044.db2.gz AETJHXUMAGIUEN-NSHDSACASA-N 2 1 343.855 1.643 20 0 EDADMP CCc1nc2ccccc2n1CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000725897065 578301829 /nfs/dbraw/zinc/30/18/29/578301829.db2.gz QCJDIQHGOVSGBB-GJZGRUSLSA-N 2 1 342.443 1.578 20 0 EDADMP O=C(CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(N2CCOCC2)cc1 ZINC000728913415 578554242 /nfs/dbraw/zinc/55/42/42/578554242.db2.gz BMGFDPKQWMDLPZ-IYBDPMFKSA-N 2 1 344.459 1.003 20 0 EDADMP CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000729618649 578584999 /nfs/dbraw/zinc/58/49/99/578584999.db2.gz KQPCCUCZRKWLAG-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)(C)[NH+]1CCCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729618649 578585000 /nfs/dbraw/zinc/58/50/00/578585000.db2.gz KQPCCUCZRKWLAG-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)(C)[NH+]1CCCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000729618649 578585001 /nfs/dbraw/zinc/58/50/01/578585001.db2.gz KQPCCUCZRKWLAG-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH+]1CCC(CNC(=S)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000760501300 580032318 /nfs/dbraw/zinc/03/23/18/580032318.db2.gz ZAKCIWVEIFWNNE-KRWDZBQOSA-N 2 1 332.517 1.979 20 0 EDADMP C[NH+]1CCC(CNC(=S)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000760501300 580032319 /nfs/dbraw/zinc/03/23/19/580032319.db2.gz ZAKCIWVEIFWNNE-KRWDZBQOSA-N 2 1 332.517 1.979 20 0 EDADMP CCS(=O)(=O)CC[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000735744978 578919214 /nfs/dbraw/zinc/91/92/14/578919214.db2.gz XROXDEDRCNSQKD-AWEZNQCLSA-N 2 1 326.466 1.087 20 0 EDADMP CC[NH+](CC)CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000736529893 578997568 /nfs/dbraw/zinc/99/75/68/578997568.db2.gz AYBMPGQSTKABLX-UHFFFAOYSA-N 2 1 328.424 1.336 20 0 EDADMP C[NH+](C)CCOC1CC[NH+](CN2C[C@H](c3ccccn3)CC2=O)CC1 ZINC000738208990 579172569 /nfs/dbraw/zinc/17/25/69/579172569.db2.gz MDZSMPRGITYUAI-MRXNPFEDSA-N 2 1 346.475 1.398 20 0 EDADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC000746670419 579606043 /nfs/dbraw/zinc/60/60/43/579606043.db2.gz ZXKYJZKXIIXMAL-QGZVFWFLSA-N 2 1 331.460 1.714 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC000746670419 579606044 /nfs/dbraw/zinc/60/60/44/579606044.db2.gz ZXKYJZKXIIXMAL-QGZVFWFLSA-N 2 1 331.460 1.714 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC000746670419 579606045 /nfs/dbraw/zinc/60/60/45/579606045.db2.gz ZXKYJZKXIIXMAL-QGZVFWFLSA-N 2 1 331.460 1.714 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC000746670419 579606046 /nfs/dbraw/zinc/60/60/46/579606046.db2.gz ZXKYJZKXIIXMAL-QGZVFWFLSA-N 2 1 331.460 1.714 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000747556744 579648888 /nfs/dbraw/zinc/64/88/88/579648888.db2.gz JBVOCQCJICZPAO-MRXNPFEDSA-N 2 1 336.484 1.831 20 0 EDADMP O=C(Nc1ccc(O)cc1)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000747763724 579657441 /nfs/dbraw/zinc/65/74/41/579657441.db2.gz QTGPLAZMYYINSK-SFHVURJKSA-N 2 1 347.459 1.499 20 0 EDADMP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000749818091 579740958 /nfs/dbraw/zinc/74/09/58/579740958.db2.gz GJBMVISLWNRKHI-SJJHQCBESA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=S)NCC[NH+](C)C ZINC000749829014 579741402 /nfs/dbraw/zinc/74/14/02/579741402.db2.gz KQWTVBGLINDFDT-WBVHZDCISA-N 2 1 334.533 1.923 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000750852429 579784069 /nfs/dbraw/zinc/78/40/69/579784069.db2.gz KPAPEDRYUWNXTA-GOSISDBHSA-N 2 1 331.460 1.662 20 0 EDADMP CCOC(=O)c1cn(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)nc1C ZINC000755781077 579934895 /nfs/dbraw/zinc/93/48/95/579934895.db2.gz SAYSMFHWDPTZBI-INIZCTEOSA-N 2 1 334.464 1.989 20 0 EDADMP CCOC(=O)c1cn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)nc1C ZINC000755781077 579934896 /nfs/dbraw/zinc/93/48/96/579934896.db2.gz SAYSMFHWDPTZBI-INIZCTEOSA-N 2 1 334.464 1.989 20 0 EDADMP CC(C)C[C@@H]1CCCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000757610427 579968998 /nfs/dbraw/zinc/96/89/98/579968998.db2.gz DWAJROVUQLQIFM-HNNXBMFYSA-N 2 1 336.480 1.861 20 0 EDADMP O=C(CC[NH+]1CCOCC1)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000763130521 580093594 /nfs/dbraw/zinc/09/35/94/580093594.db2.gz DJDWXSKTHFGVPE-UHFFFAOYSA-N 2 1 347.459 1.304 20 0 EDADMP CCNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000772976507 580324546 /nfs/dbraw/zinc/32/45/46/580324546.db2.gz HDJHKOBEWRVWIL-NVXWUHKLSA-N 2 1 339.505 1.426 20 0 EDADMP CCNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000772976507 580324547 /nfs/dbraw/zinc/32/45/47/580324547.db2.gz HDJHKOBEWRVWIL-NVXWUHKLSA-N 2 1 339.505 1.426 20 0 EDADMP C[C@@H](NC(=S)NCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778533031 580467053 /nfs/dbraw/zinc/46/70/53/580467053.db2.gz XWAHQIFLSZXRQG-NVXWUHKLSA-N 2 1 334.533 1.923 20 0 EDADMP COC(=O)c1ccccc1CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000784058227 580612897 /nfs/dbraw/zinc/61/28/97/580612897.db2.gz BKRBRAIISDSQDG-OAHLLOKOSA-N 2 1 335.404 1.581 20 0 EDADMP COC(=O)c1ccccc1CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000784058227 580612898 /nfs/dbraw/zinc/61/28/98/580612898.db2.gz BKRBRAIISDSQDG-OAHLLOKOSA-N 2 1 335.404 1.581 20 0 EDADMP O[C@H](CN1CCC(c2[nH+]cc3n2CCCC3)CC1)C[NH+]1CCCC1 ZINC000789357709 580743406 /nfs/dbraw/zinc/74/34/06/580743406.db2.gz MLVZQMQDRLEUST-SFHVURJKSA-N 2 1 332.492 1.856 20 0 EDADMP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)CC1 ZINC000792260585 580815550 /nfs/dbraw/zinc/81/55/50/580815550.db2.gz MKWQFECNLISDSF-GOSISDBHSA-N 2 1 349.519 1.963 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792576783 580823370 /nfs/dbraw/zinc/82/33/70/580823370.db2.gz BOQHMXYSYUCRMA-KDURUIRLSA-N 2 1 343.471 1.299 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792576783 580823371 /nfs/dbraw/zinc/82/33/71/580823371.db2.gz BOQHMXYSYUCRMA-KDURUIRLSA-N 2 1 343.471 1.299 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000793695623 580851967 /nfs/dbraw/zinc/85/19/67/580851967.db2.gz DJLWVPPKZMJUKH-OAHLLOKOSA-N 2 1 349.479 1.031 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)CC1 ZINC000794609455 580899686 /nfs/dbraw/zinc/89/96/86/580899686.db2.gz ZTSASOCEXXSAPU-QXAKKESOSA-N 2 1 347.503 1.887 20 0 EDADMP C[C@@]1(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC[N@H+]1Cc1ccccc1 ZINC000891819648 590637546 /nfs/dbraw/zinc/63/75/46/590637546.db2.gz HDVTZBAUNYRWNQ-LNLFQRSKSA-N 2 1 328.460 1.797 20 0 EDADMP CCc1[nH]nc(Cl)c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000891833336 590644459 /nfs/dbraw/zinc/64/44/59/590644459.db2.gz HIJJLGSUSKDEPE-UHFFFAOYSA-N 2 1 341.887 1.515 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNc3cc[nH+]cc3CO)cc2)CC1 ZINC000891837222 590646068 /nfs/dbraw/zinc/64/60/68/590646068.db2.gz CIXMFBAIMYAIPO-UHFFFAOYSA-N 2 1 340.471 1.745 20 0 EDADMP C[N@@H+](CCCCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000891953213 590704373 /nfs/dbraw/zinc/70/43/73/590704373.db2.gz NYAHHYFGYCCJBU-MRXNPFEDSA-N 2 1 338.496 1.319 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNc3cc[nH+]cc3CO)c2)CCO1 ZINC000891994895 590733618 /nfs/dbraw/zinc/73/36/18/590733618.db2.gz FHEOHDRTQNFHBY-HNNXBMFYSA-N 2 1 327.428 1.829 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNc3cc[nH+]cc3CO)c2)CCO1 ZINC000891994895 590733622 /nfs/dbraw/zinc/73/36/22/590733622.db2.gz FHEOHDRTQNFHBY-HNNXBMFYSA-N 2 1 327.428 1.829 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000890879554 590829215 /nfs/dbraw/zinc/82/92/15/590829215.db2.gz ZJLSYYUPPWXDKL-OAHLLOKOSA-N 2 1 341.496 1.308 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000890879554 590829218 /nfs/dbraw/zinc/82/92/18/590829218.db2.gz ZJLSYYUPPWXDKL-OAHLLOKOSA-N 2 1 341.496 1.308 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000892169000 590839956 /nfs/dbraw/zinc/83/99/56/590839956.db2.gz HUWMOFSEZYWBGR-KSZLIROESA-N 2 1 330.476 1.996 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccc(F)cc1 ZINC000892173039 590844232 /nfs/dbraw/zinc/84/42/32/590844232.db2.gz QRKMILFKMFOYNA-HLLBOEOZSA-N 2 1 334.439 1.631 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)NCC[N@H+]2CCC(C)(C)C2)CCSC1 ZINC000893417774 590857551 /nfs/dbraw/zinc/85/75/51/590857551.db2.gz SYRMRKNLDWJXGH-INIZCTEOSA-N 2 1 328.526 1.455 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232840 590877678 /nfs/dbraw/zinc/87/76/78/590877678.db2.gz NNOYDGDVLXZVQB-IBEHDNSVSA-N 2 1 326.485 1.301 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232840 590877679 /nfs/dbraw/zinc/87/76/79/590877679.db2.gz NNOYDGDVLXZVQB-IBEHDNSVSA-N 2 1 326.485 1.301 20 0 EDADMP C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232956 590877730 /nfs/dbraw/zinc/87/77/30/590877730.db2.gz QOADIPAVPWQBHG-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232956 590877731 /nfs/dbraw/zinc/87/77/31/590877731.db2.gz QOADIPAVPWQBHG-CAOSSQGBSA-N 2 1 326.485 1.268 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCC34CC(C3)C[NH2+]4)C2)cc1 ZINC000892262720 590894699 /nfs/dbraw/zinc/89/46/99/590894699.db2.gz VDUITJRYEZPALE-HFCFLWKCSA-N 2 1 328.460 1.621 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCOCCC[NH3+] ZINC000892296264 590921661 /nfs/dbraw/zinc/92/16/61/590921661.db2.gz QQWNFWGNFXNIHH-SJLPKXTDSA-N 2 1 348.491 1.419 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)NCc3cccc4c3CC[NH2+]C4)C2)C1 ZINC000892330414 590955567 /nfs/dbraw/zinc/95/55/67/590955567.db2.gz NATPIRBMXKIZNY-IBGZPJMESA-N 2 1 328.460 1.570 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892385048 591004351 /nfs/dbraw/zinc/00/43/51/591004351.db2.gz FTJQSOPYJYCGPK-HOTGVXAUSA-N 2 1 339.528 1.090 20 0 EDADMP CC(=O)OC[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000892422339 591022048 /nfs/dbraw/zinc/02/20/48/591022048.db2.gz ZBYLPSWJTDJPIO-HIFRSBDPSA-N 2 1 325.478 1.578 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)[C@H]1OC ZINC000892451982 591032860 /nfs/dbraw/zinc/03/28/60/591032860.db2.gz FPRIZNMANOAUMI-GUDVDZBRSA-N 2 1 334.460 1.801 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)CC2)c1 ZINC000892495327 591048944 /nfs/dbraw/zinc/04/89/44/591048944.db2.gz PJMXALGGFFCEFM-MRXNPFEDSA-N 2 1 345.491 2.000 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891347029 591053339 /nfs/dbraw/zinc/05/33/39/591053339.db2.gz FQZHGODSYCMSPQ-QZTJIDSGSA-N 2 1 328.460 1.581 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC000892529765 591060323 /nfs/dbraw/zinc/06/03/23/591060323.db2.gz AJFKNEGJWHQBPE-ROUUACIJSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000892536598 591064248 /nfs/dbraw/zinc/06/42/48/591064248.db2.gz QVEONFLEXMUWLA-PKOBYXMFSA-N 2 1 346.475 1.247 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000892536598 591064250 /nfs/dbraw/zinc/06/42/50/591064250.db2.gz QVEONFLEXMUWLA-PKOBYXMFSA-N 2 1 346.475 1.247 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891448568 591075509 /nfs/dbraw/zinc/07/55/09/591075509.db2.gz RBGPXBCXXXYICU-BZSNNMDCSA-N 2 1 328.460 1.797 20 0 EDADMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(OC)cn3)cn2)CC1 ZINC000892597693 591087560 /nfs/dbraw/zinc/08/75/60/591087560.db2.gz UODXCWOIYMKJHC-UHFFFAOYSA-N 2 1 341.459 1.917 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCc2sc(C[NH3+])nc2C1)C(C)C ZINC000891483742 591088479 /nfs/dbraw/zinc/08/84/79/591088479.db2.gz BRZKOISQDIHWEF-UHFFFAOYSA-N 2 1 325.482 1.400 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891537409 591112074 /nfs/dbraw/zinc/11/20/74/591112074.db2.gz BXPXQECUZKNSSE-MSOLQXFVSA-N 2 1 330.476 1.875 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000892660025 591114423 /nfs/dbraw/zinc/11/44/23/591114423.db2.gz YAYFXZYMMZYBND-MSOLQXFVSA-N 2 1 332.492 1.971 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000892660025 591114427 /nfs/dbraw/zinc/11/44/27/591114427.db2.gz YAYFXZYMMZYBND-MSOLQXFVSA-N 2 1 332.492 1.971 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000892660025 591114430 /nfs/dbraw/zinc/11/44/30/591114430.db2.gz YAYFXZYMMZYBND-MSOLQXFVSA-N 2 1 332.492 1.971 20 0 EDADMP [NH3+][C@H](CCNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000891576264 591132061 /nfs/dbraw/zinc/13/20/61/591132061.db2.gz KDQLCULXRLQCLI-QZTJIDSGSA-N 2 1 330.476 1.730 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000891576710 591133296 /nfs/dbraw/zinc/13/32/96/591133296.db2.gz NMGJJFXLAHWTQW-JKSUJKDBSA-N 2 1 338.496 1.319 20 0 EDADMP C[C@@H](CNC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)C[NH+]1CCOCC1 ZINC000891584969 591135996 /nfs/dbraw/zinc/13/59/96/591135996.db2.gz VOWFGQCSOJLVOK-FUHWJXTLSA-N 2 1 338.496 1.130 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000891590953 591138432 /nfs/dbraw/zinc/13/84/32/591138432.db2.gz GFKJPHLUONGIDZ-DKIMLUQUSA-N 2 1 344.459 1.032 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000891590953 591138433 /nfs/dbraw/zinc/13/84/33/591138433.db2.gz GFKJPHLUONGIDZ-DKIMLUQUSA-N 2 1 344.459 1.032 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC[N@H+]1C ZINC000892788427 591178571 /nfs/dbraw/zinc/17/85/71/591178571.db2.gz BZNPARNFCZKKJZ-ZWKOTPCHSA-N 2 1 330.476 1.683 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894093149 591190641 /nfs/dbraw/zinc/19/06/41/591190641.db2.gz CXXWYYDSCJQRSV-XOKHGSTOSA-N 2 1 330.432 1.952 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894093149 591190643 /nfs/dbraw/zinc/19/06/43/591190643.db2.gz CXXWYYDSCJQRSV-XOKHGSTOSA-N 2 1 330.432 1.952 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CCC12CC[NH+](C)CC2)[NH+]1CCOCC1 ZINC000891740154 591205667 /nfs/dbraw/zinc/20/56/67/591205667.db2.gz PQZSXAFTBKIPJJ-MRXNPFEDSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H]1CN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CC[N@H+](C2CC2)C1 ZINC000892878728 591211441 /nfs/dbraw/zinc/21/14/41/591211441.db2.gz DCHQDAOJCGOQDO-GFCCVEGCSA-N 2 1 349.504 1.496 20 0 EDADMP CN1CC[N@@H+](CCCNc2cc[nH+]cc2CO)[C@@H](c2ccccc2)C1 ZINC000891762374 591215174 /nfs/dbraw/zinc/21/51/74/591215174.db2.gz NAUZTYRKCWZKIW-HXUWFJFHSA-N 2 1 340.471 1.787 20 0 EDADMP C[N@@H+]1CCN(CCCNc2cc[nH+]cc2CO)[C@@H](c2ccccc2)C1 ZINC000891762374 591215175 /nfs/dbraw/zinc/21/51/75/591215175.db2.gz NAUZTYRKCWZKIW-HXUWFJFHSA-N 2 1 340.471 1.787 20 0 EDADMP C[N@H+]1CCN(CCCNc2cc[nH+]cc2CO)[C@@H](c2ccccc2)C1 ZINC000891762374 591215177 /nfs/dbraw/zinc/21/51/77/591215177.db2.gz NAUZTYRKCWZKIW-HXUWFJFHSA-N 2 1 340.471 1.787 20 0 EDADMP CCn1cc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000893031716 591260616 /nfs/dbraw/zinc/26/06/16/591260616.db2.gz VWPYKWVBCAXEJE-IBGZPJMESA-N 2 1 328.460 1.938 20 0 EDADMP CCn1cc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c(C)n1 ZINC000893031716 591260618 /nfs/dbraw/zinc/26/06/18/591260618.db2.gz VWPYKWVBCAXEJE-IBGZPJMESA-N 2 1 328.460 1.938 20 0 EDADMP COc1ccc(C[C@H](CO)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1O ZINC000894472408 591319534 /nfs/dbraw/zinc/31/95/34/591319534.db2.gz LNJVPBHHSQRNMM-XYTVBORESA-N 2 1 334.460 1.767 20 0 EDADMP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)CC2)CC1 ZINC000896004863 591321495 /nfs/dbraw/zinc/32/14/95/591321495.db2.gz QZYLVHDQCLLKIT-KRWDZBQOSA-N 2 1 336.524 1.534 20 0 EDADMP CC(C)(C)OC(=O)NC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000897420752 591379573 /nfs/dbraw/zinc/37/95/73/591379573.db2.gz GNEDKTPCSCHKMN-OAHLLOKOSA-N 2 1 339.480 1.887 20 0 EDADMP CN(Cc1ccc2oc(=O)oc2c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894770591 591411209 /nfs/dbraw/zinc/41/12/09/591411209.db2.gz RSEUAGQFHMVCRZ-INIZCTEOSA-N 2 1 345.443 1.986 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000897455831 591461903 /nfs/dbraw/zinc/46/19/03/591461903.db2.gz WEHNQNPRYJRUKZ-HNNXBMFYSA-N 2 1 347.463 1.264 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000897466112 591466669 /nfs/dbraw/zinc/46/66/69/591466669.db2.gz OCVAPRKYEMBJAR-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000894905208 591468131 /nfs/dbraw/zinc/46/81/31/591468131.db2.gz BYCGIMPVBNSAMM-GVDBMIGSSA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000894905208 591468138 /nfs/dbraw/zinc/46/81/38/591468138.db2.gz BYCGIMPVBNSAMM-GVDBMIGSSA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000894905208 591468142 /nfs/dbraw/zinc/46/81/42/591468142.db2.gz BYCGIMPVBNSAMM-GVDBMIGSSA-N 2 1 340.512 1.347 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@H+]2CCC[C@@H]2C)C1 ZINC000897482567 591488525 /nfs/dbraw/zinc/48/85/25/591488525.db2.gz BNKPNOQZVIKPEJ-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000897497866 591500678 /nfs/dbraw/zinc/50/06/78/591500678.db2.gz DCYMLZXUWYVMGS-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000897497866 591500681 /nfs/dbraw/zinc/50/06/81/591500681.db2.gz DCYMLZXUWYVMGS-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000897497866 591500683 /nfs/dbraw/zinc/50/06/83/591500683.db2.gz DCYMLZXUWYVMGS-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000897498386 591501469 /nfs/dbraw/zinc/50/14/69/591501469.db2.gz PKUSLHPMFGLSSH-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000897498386 591501471 /nfs/dbraw/zinc/50/14/71/591501471.db2.gz PKUSLHPMFGLSSH-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000897498386 591501475 /nfs/dbraw/zinc/50/14/75/591501475.db2.gz PKUSLHPMFGLSSH-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000897498386 591501478 /nfs/dbraw/zinc/50/14/78/591501478.db2.gz PKUSLHPMFGLSSH-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000897518870 591520062 /nfs/dbraw/zinc/52/00/62/591520062.db2.gz MYIKUIARMJGVEC-HOTGVXAUSA-N 2 1 331.464 1.786 20 0 EDADMP CN1CCC[C@H]1c1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)[nH]n1 ZINC000896613245 591548151 /nfs/dbraw/zinc/54/81/51/591548151.db2.gz OWSYUYZLQCQEQW-YOEHRIQHSA-N 2 1 349.479 1.359 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000896613245 591548152 /nfs/dbraw/zinc/54/81/52/591548152.db2.gz OWSYUYZLQCQEQW-YOEHRIQHSA-N 2 1 349.479 1.359 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000900189295 591934489 /nfs/dbraw/zinc/93/44/89/591934489.db2.gz XTZBGMWEMHIQOP-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900209148 591943509 /nfs/dbraw/zinc/94/35/09/591943509.db2.gz QBFLESYQIHIBLU-AOCRQIFASA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)[C@]12C[C@H]1C(=O)N(C[N@H+]1CC[C@H](C3CC[NH+](C)CC3)C1)C2=O ZINC000902200521 591943693 /nfs/dbraw/zinc/94/36/93/591943693.db2.gz FHLZNWAPBGOAEO-TXPKVOOTSA-N 2 1 333.476 1.639 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C[C@H]([C@@H]4CCCO4)CC3=O)C2)CC1 ZINC000902201300 591944540 /nfs/dbraw/zinc/94/45/40/591944540.db2.gz LUNDUULRTCKBIW-KURKYZTESA-N 2 1 335.492 1.635 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000900233243 591950049 /nfs/dbraw/zinc/95/00/49/591950049.db2.gz ROHQFAKBPCEPRP-QFBILLFUSA-N 2 1 346.475 1.533 20 0 EDADMP CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000900233243 591950052 /nfs/dbraw/zinc/95/00/52/591950052.db2.gz ROHQFAKBPCEPRP-QFBILLFUSA-N 2 1 346.475 1.533 20 0 EDADMP COc1cn(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(C)cc1=O ZINC000902370569 591981413 /nfs/dbraw/zinc/98/14/13/591981413.db2.gz LHHMLPYHVSPJTN-OAHLLOKOSA-N 2 1 328.416 1.729 20 0 EDADMP C[N@H+]1CC[C@@](O)(CN[C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902374931 591982573 /nfs/dbraw/zinc/98/25/73/591982573.db2.gz SEIKVPVOPQLJEG-DLBZAZTESA-N 2 1 327.419 1.791 20 0 EDADMP CN1CC[C@@](O)(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902374931 591982574 /nfs/dbraw/zinc/98/25/74/591982574.db2.gz SEIKVPVOPQLJEG-DLBZAZTESA-N 2 1 327.419 1.791 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000900405849 592009595 /nfs/dbraw/zinc/00/95/95/592009595.db2.gz KTDZTHHSEOWXGE-SFHVURJKSA-N 2 1 338.540 1.639 20 0 EDADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cn(C)nn1 ZINC000902741073 592055135 /nfs/dbraw/zinc/05/51/35/592055135.db2.gz KPGJNMYFZGDJDD-VQIMIIECSA-N 2 1 342.491 1.845 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000900692891 592097000 /nfs/dbraw/zinc/09/70/00/592097000.db2.gz KZEDZLSSOJKIMV-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900692891 592097003 /nfs/dbraw/zinc/09/70/03/592097003.db2.gz KZEDZLSSOJKIMV-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900692891 592097007 /nfs/dbraw/zinc/09/70/07/592097007.db2.gz KZEDZLSSOJKIMV-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900692891 592097009 /nfs/dbraw/zinc/09/70/09/592097009.db2.gz KZEDZLSSOJKIMV-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900692891 592097011 /nfs/dbraw/zinc/09/70/11/592097011.db2.gz KZEDZLSSOJKIMV-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@H+]1C ZINC000903189227 592136187 /nfs/dbraw/zinc/13/61/87/592136187.db2.gz SXXDQNJOGYCXKT-UONOGXRCSA-N 2 1 331.526 1.699 20 0 EDADMP COc1cccc(OCC[NH+]2CCN(C[C@@H]3C[NH2+]C[C@H]3C)CC2)c1 ZINC000903457270 592174197 /nfs/dbraw/zinc/17/41/97/592174197.db2.gz PSCWGGCVARLAOY-SJORKVTESA-N 2 1 333.476 1.547 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cn3cc(C)ccc3n1)C2 ZINC000903492455 592185067 /nfs/dbraw/zinc/18/50/67/592185067.db2.gz DYOCOFAPEVFLDB-IYOUNJFTSA-N 2 1 328.416 1.355 20 0 EDADMP C[C@@H]1C[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CC[NH3+] ZINC000903494482 592186662 /nfs/dbraw/zinc/18/66/62/592186662.db2.gz GBRDHLNRPHIXPM-HUUCEWRRSA-N 2 1 329.444 1.980 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCCc2c(F)cccc2F)C[C@H]1CC[NH3+] ZINC000903496974 592188169 /nfs/dbraw/zinc/18/81/69/592188169.db2.gz LOICNHWLGAGCHJ-CHWSQXEVSA-N 2 1 325.403 1.540 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903509424 592190150 /nfs/dbraw/zinc/19/01/50/592190150.db2.gz IJRIHXMVTVLDKM-CIRFHOKZSA-N 2 1 336.524 1.580 20 0 EDADMP CCCN(CCC)C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511734 592191284 /nfs/dbraw/zinc/19/12/84/592191284.db2.gz XLIFQDPPUIWUKB-HDICACEKSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C[N@H+]1C1CC1 ZINC000900995742 592200043 /nfs/dbraw/zinc/20/00/43/592200043.db2.gz NXBZXXGLKHMXPI-SOEBMCCKSA-N 2 1 335.492 1.619 20 0 EDADMP O=C(CC[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1)N1CC[NH2+]CC1 ZINC000903565000 592212329 /nfs/dbraw/zinc/21/23/29/592212329.db2.gz BTIZVUSMDCXHAB-AWEZNQCLSA-N 2 1 348.516 1.633 20 0 EDADMP CC[C@H](NC(=O)Cc1c[nH]cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000901062939 592221220 /nfs/dbraw/zinc/22/12/20/592221220.db2.gz BMOWSXAXQBBRJG-ZWKOTPCHSA-N 2 1 342.443 1.748 20 0 EDADMP CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906661435 592270661 /nfs/dbraw/zinc/27/06/61/592270661.db2.gz PLJRDVVVNSAIEW-UHFFFAOYSA-N 2 1 332.448 1.373 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)C[C@]2(C)C1 ZINC000904511509 592274668 /nfs/dbraw/zinc/27/46/68/592274668.db2.gz RHALPXFFJBSSSM-GLJUWKHASA-N 2 1 329.448 1.313 20 0 EDADMP CC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C[C@@H]1COc2ccccc2O1 ZINC000903717440 592280739 /nfs/dbraw/zinc/28/07/39/592280739.db2.gz AKJSZTOCAVAART-FRQCXROJSA-N 2 1 332.444 1.917 20 0 EDADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727770 592286243 /nfs/dbraw/zinc/28/62/43/592286243.db2.gz XEJAHVIEBAGXOI-IAGOWNOFSA-N 2 1 337.508 1.773 20 0 EDADMP C[C@@H](CNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C[NH+]1CCOCC1 ZINC000904583033 592286972 /nfs/dbraw/zinc/28/69/72/592286972.db2.gz RUHBBKDKKDYCFE-AWEZNQCLSA-N 2 1 334.464 1.970 20 0 EDADMP Cc1nc(C[C@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903730296 592287119 /nfs/dbraw/zinc/28/71/19/592287119.db2.gz VGSPHHKHJABEPK-CVEARBPZSA-N 2 1 334.464 1.791 20 0 EDADMP c1cc2c(c(-c3nc([C@@H]4C[N@H+]5CCC[C@@H]5CO4)no3)c1)OCC[NH2+]C2 ZINC000904638182 592301038 /nfs/dbraw/zinc/30/10/38/592301038.db2.gz NLPOYNMGWVNJFE-HIFRSBDPSA-N 2 1 342.399 1.754 20 0 EDADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[NH+](C)C ZINC000901243199 592301815 /nfs/dbraw/zinc/30/18/15/592301815.db2.gz XWTZAHZZVQIBBQ-SQNIBIBYSA-N 2 1 333.476 1.326 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](Cc3ccccc3CF)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000903760676 592306469 /nfs/dbraw/zinc/30/64/69/592306469.db2.gz JKRPDZKHAOUOOV-QZTJIDSGSA-N 2 1 346.450 1.876 20 0 EDADMP COC(=O)c1coc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)n1 ZINC000903792923 592316376 /nfs/dbraw/zinc/31/63/76/592316376.db2.gz JWVCCHFHWJQQKK-UHFFFAOYSA-N 2 1 329.400 1.954 20 0 EDADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000908104961 592321697 /nfs/dbraw/zinc/32/16/97/592321697.db2.gz APFKNQAHMRTRPF-AJYBTWMASA-N 2 1 345.487 1.641 20 0 EDADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000908104961 592321699 /nfs/dbraw/zinc/32/16/99/592321699.db2.gz APFKNQAHMRTRPF-AJYBTWMASA-N 2 1 345.487 1.641 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C)C(=O)C12CC[NH+](CC1)C2 ZINC000908105615 592322644 /nfs/dbraw/zinc/32/26/44/592322644.db2.gz HCVFQOOMXBJVAE-DOTOQJQBSA-N 2 1 345.491 1.357 20 0 EDADMP C[N@H+](CCC(=O)NCc1ccccc1Cl)C1(C[NH3+])CCOCC1 ZINC000903807968 592329845 /nfs/dbraw/zinc/32/98/45/592329845.db2.gz XQKVMVLUPVGPQC-UHFFFAOYSA-N 2 1 339.867 1.786 20 0 EDADMP C[N@@H+](CCC(=O)NCc1ccccc1Cl)C1(C[NH3+])CCOCC1 ZINC000903807968 592329850 /nfs/dbraw/zinc/32/98/50/592329850.db2.gz XQKVMVLUPVGPQC-UHFFFAOYSA-N 2 1 339.867 1.786 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000901336109 592333550 /nfs/dbraw/zinc/33/35/50/592333550.db2.gz IBLAAJLEJAMYFC-LPHOPBHVSA-N 2 1 333.476 1.470 20 0 EDADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901336109 592333555 /nfs/dbraw/zinc/33/35/55/592333555.db2.gz IBLAAJLEJAMYFC-LPHOPBHVSA-N 2 1 333.476 1.470 20 0 EDADMP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903887366 592350478 /nfs/dbraw/zinc/35/04/78/592350478.db2.gz ZVUSUSZYWUDNKP-DOTOQJQBSA-N 2 1 335.496 1.179 20 0 EDADMP CCN(CC)C(=O)[C@H]1CCC[N@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903887366 592350483 /nfs/dbraw/zinc/35/04/83/592350483.db2.gz ZVUSUSZYWUDNKP-DOTOQJQBSA-N 2 1 335.496 1.179 20 0 EDADMP C[N@H+](CCOc1ccc(F)cc1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903877310 592358220 /nfs/dbraw/zinc/35/82/20/592358220.db2.gz MDYSHVGYWWQSIA-HNNXBMFYSA-N 2 1 333.411 1.853 20 0 EDADMP C[N@@H+](CCOc1ccc(F)cc1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903877310 592358222 /nfs/dbraw/zinc/35/82/22/592358222.db2.gz MDYSHVGYWWQSIA-HNNXBMFYSA-N 2 1 333.411 1.853 20 0 EDADMP CN1CCO[C@H](C[N@H+](Cc2cccc3c2CC[NH2+]C3)CC2CC2)C1 ZINC000903912288 592374817 /nfs/dbraw/zinc/37/48/17/592374817.db2.gz CRASHCBIUMMVOF-IBGZPJMESA-N 2 1 329.488 1.875 20 0 EDADMP CCc1nn(C)c(CC)c1C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903925480 592378952 /nfs/dbraw/zinc/37/89/52/592378952.db2.gz NJVDYVIUDUYGQM-CYBMUJFWSA-N 2 1 331.468 1.351 20 0 EDADMP c1nc(N2CCOCC2)sc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960034 592390306 /nfs/dbraw/zinc/39/03/06/592390306.db2.gz VLHMHDUUTJBZPS-KRWDZBQOSA-N 2 1 336.505 1.945 20 0 EDADMP c1nc(N2CCOCC2)sc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960034 592390312 /nfs/dbraw/zinc/39/03/12/592390312.db2.gz VLHMHDUUTJBZPS-KRWDZBQOSA-N 2 1 336.505 1.945 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000905059390 592396973 /nfs/dbraw/zinc/39/69/73/592396973.db2.gz GKWYDCZJCDEIDQ-KRWDZBQOSA-N 2 1 347.459 1.608 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)C3(O)CCC3)c2)CCO1 ZINC000905059763 592397191 /nfs/dbraw/zinc/39/71/91/592397191.db2.gz HYPNGUHJZOKZNR-CRAIPNDOSA-N 2 1 334.460 1.273 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)C3(O)CCC3)c2)CCO1 ZINC000905059763 592397195 /nfs/dbraw/zinc/39/71/95/592397195.db2.gz HYPNGUHJZOKZNR-CRAIPNDOSA-N 2 1 334.460 1.273 20 0 EDADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000908317156 592430563 /nfs/dbraw/zinc/43/05/63/592430563.db2.gz WKMVMZCVHAYIEZ-MRXNPFEDSA-N 2 1 337.508 1.963 20 0 EDADMP C[NH+](C)[C@@H](CNS(=O)(=O)CC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000905332002 592508093 /nfs/dbraw/zinc/50/80/93/592508093.db2.gz QVNIBRLAJDTOBO-INIZCTEOSA-N 2 1 343.468 1.347 20 0 EDADMP C[C@@](O)(C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C(F)F ZINC000905365721 592516120 /nfs/dbraw/zinc/51/61/20/592516120.db2.gz DWTTZTXCHNMWJV-DOTOQJQBSA-N 2 1 328.403 1.749 20 0 EDADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905367172 592517231 /nfs/dbraw/zinc/51/72/31/592517231.db2.gz JFROFQKNAAZTOI-RTBURBONSA-N 2 1 348.487 1.399 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)C2)[C@H]1C(C)C ZINC000905503738 592546709 /nfs/dbraw/zinc/54/67/09/592546709.db2.gz UEJWLPJMRAJHEJ-ZSAUSMIDSA-N 2 1 338.414 1.759 20 0 EDADMP C[NH+]1CCC(CNC(=S)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000905633010 592591419 /nfs/dbraw/zinc/59/14/19/592591419.db2.gz ITTZLOROENIIOZ-HUUCEWRRSA-N 2 1 342.578 1.372 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000905650240 592596731 /nfs/dbraw/zinc/59/67/31/592596731.db2.gz FIQIDHZEDIXNIE-KRWDZBQOSA-N 2 1 332.517 1.819 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000905669420 592607075 /nfs/dbraw/zinc/60/70/75/592607075.db2.gz XNZMTJFAIGPFGN-BBWFWOEESA-N 2 1 325.497 1.724 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000905669420 592607078 /nfs/dbraw/zinc/60/70/78/592607078.db2.gz XNZMTJFAIGPFGN-BBWFWOEESA-N 2 1 325.497 1.724 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000905669420 592607080 /nfs/dbraw/zinc/60/70/80/592607080.db2.gz XNZMTJFAIGPFGN-BBWFWOEESA-N 2 1 325.497 1.724 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)cc1F ZINC000905917600 592681712 /nfs/dbraw/zinc/68/17/12/592681712.db2.gz DAPDLLAOCDGNGC-YJBOKZPZSA-N 2 1 349.406 1.312 20 0 EDADMP CN(C(=O)C1CN(C)CC[N@@H+](C)C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000907526430 592688308 /nfs/dbraw/zinc/68/83/08/592688308.db2.gz PDKHQZVZUDHNML-UHFFFAOYSA-N 2 1 338.540 1.593 20 0 EDADMP Cc1cc(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)ccc1OCC[NH+](C)C ZINC000909920515 592713439 /nfs/dbraw/zinc/71/34/39/592713439.db2.gz MSNRUBUOSFBPRC-QAPCUYQASA-N 2 1 335.448 1.329 20 0 EDADMP Cc1cc(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)ccc1OCC[NH+](C)C ZINC000909920515 592713440 /nfs/dbraw/zinc/71/34/40/592713440.db2.gz MSNRUBUOSFBPRC-QAPCUYQASA-N 2 1 335.448 1.329 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000907796315 592798744 /nfs/dbraw/zinc/79/87/44/592798744.db2.gz KIQNJIRLTCICAY-IBGZPJMESA-N 2 1 347.459 1.607 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000907796315 592798747 /nfs/dbraw/zinc/79/87/47/592798747.db2.gz KIQNJIRLTCICAY-IBGZPJMESA-N 2 1 347.459 1.607 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)C1 ZINC000906384512 592814597 /nfs/dbraw/zinc/81/45/97/592814597.db2.gz JQNIZVKIZPLVIN-INIZCTEOSA-N 2 1 345.491 1.894 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000906384512 592814600 /nfs/dbraw/zinc/81/46/00/592814600.db2.gz JQNIZVKIZPLVIN-INIZCTEOSA-N 3 1 345.491 1.894 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000906384512 592814605 /nfs/dbraw/zinc/81/46/05/592814605.db2.gz JQNIZVKIZPLVIN-INIZCTEOSA-N 3 1 345.491 1.894 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000906610676 592863787 /nfs/dbraw/zinc/86/37/87/592863787.db2.gz HABMLGMQCGDJBF-UHFFFAOYSA-N 2 1 348.491 1.449 20 0 EDADMP CC(C)[NH+](CCO)CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000910859942 592897515 /nfs/dbraw/zinc/89/75/15/592897515.db2.gz GZTOZWOYEMUPCT-CALCHBBNSA-N 2 1 339.524 1.801 20 0 EDADMP O=C([C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1)N1CC[NH2+]Cc2ccccc21 ZINC000911761862 593006700 /nfs/dbraw/zinc/00/67/00/593006700.db2.gz UGWSPCGUUKMNPX-UWWQBHOKSA-N 2 1 329.444 1.670 20 0 EDADMP CN(CCC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)c1cc[nH+]cc1 ZINC000911847419 593025626 /nfs/dbraw/zinc/02/56/26/593025626.db2.gz VQKWUZBZVRMXRJ-SJORKVTESA-N 2 1 346.475 1.523 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@H]2CCCC[N@H+]2C)c1 ZINC000911928551 593034758 /nfs/dbraw/zinc/03/47/58/593034758.db2.gz CAGRYNJCXIGFMW-QGZVFWFLSA-N 2 1 348.491 1.911 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000912284741 593082638 /nfs/dbraw/zinc/08/26/38/593082638.db2.gz SLYRJVPRUYRRSP-QGZVFWFLSA-N 2 1 338.540 1.782 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000912284741 593082639 /nfs/dbraw/zinc/08/26/39/593082639.db2.gz SLYRJVPRUYRRSP-QGZVFWFLSA-N 2 1 338.540 1.782 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000912284741 593082640 /nfs/dbraw/zinc/08/26/40/593082640.db2.gz SLYRJVPRUYRRSP-QGZVFWFLSA-N 2 1 338.540 1.782 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000912297322 593084016 /nfs/dbraw/zinc/08/40/16/593084016.db2.gz OKTBCDRFCWFIKC-QGZVFWFLSA-N 2 1 338.540 1.782 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000912297322 593084017 /nfs/dbraw/zinc/08/40/17/593084017.db2.gz OKTBCDRFCWFIKC-QGZVFWFLSA-N 2 1 338.540 1.782 20 0 EDADMP CNC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000912304459 593085268 /nfs/dbraw/zinc/08/52/68/593085268.db2.gz PXOXXCOSRKTFNW-AWEZNQCLSA-N 2 1 349.479 1.440 20 0 EDADMP CNC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000912304459 593085269 /nfs/dbraw/zinc/08/52/69/593085269.db2.gz PXOXXCOSRKTFNW-AWEZNQCLSA-N 2 1 349.479 1.440 20 0 EDADMP CCNS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000839148852 593265052 /nfs/dbraw/zinc/26/50/52/593265052.db2.gz NQRVIYYLFCXHSR-PBHICJAKSA-N 2 1 339.505 1.805 20 0 EDADMP CCNS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000839148852 593265053 /nfs/dbraw/zinc/26/50/53/593265053.db2.gz NQRVIYYLFCXHSR-PBHICJAKSA-N 2 1 339.505 1.805 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000103461918 593303055 /nfs/dbraw/zinc/30/30/55/593303055.db2.gz QYPXEIKGAFRUGZ-MRXNPFEDSA-N 2 1 325.478 1.100 20 0 EDADMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000103461918 593303054 /nfs/dbraw/zinc/30/30/54/593303054.db2.gz QYPXEIKGAFRUGZ-MRXNPFEDSA-N 2 1 325.478 1.100 20 0 EDADMP CN(C(=O)Nc1cnn(CC[NH+](C)C)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000806319479 593438706 /nfs/dbraw/zinc/43/87/06/593438706.db2.gz NYJANMOWIVDKHW-XYPWUTKMSA-N 2 1 334.468 1.534 20 0 EDADMP COc1ccc([C@H](O)C2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000812858052 593511100 /nfs/dbraw/zinc/51/11/00/593511100.db2.gz WSUMAKNDCARKIU-QUCCMNQESA-N 2 1 348.487 1.897 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)C3CC3)c2)C1 ZINC000819040602 593735029 /nfs/dbraw/zinc/73/50/29/593735029.db2.gz ODUOCFUOFCULOE-MSOLQXFVSA-N 2 1 331.460 1.244 20 0 EDADMP Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)ccc1OCC[NH+](C)C ZINC000819491987 593756619 /nfs/dbraw/zinc/75/66/19/593756619.db2.gz UJLUFEMCJSMCRX-QGZVFWFLSA-N 2 1 337.464 1.040 20 0 EDADMP c1sc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1-c1nn[nH]n1 ZINC000823821567 593867931 /nfs/dbraw/zinc/86/79/31/593867931.db2.gz WSZUMZVKEPXDQH-LBPRGKRZSA-N 2 1 348.476 1.519 20 0 EDADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623441 593884404 /nfs/dbraw/zinc/88/44/04/593884404.db2.gz LILCJQGEKDXPGT-ZBFHGGJFSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623441 593884407 /nfs/dbraw/zinc/88/44/07/593884407.db2.gz LILCJQGEKDXPGT-ZBFHGGJFSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623441 593884408 /nfs/dbraw/zinc/88/44/08/593884408.db2.gz LILCJQGEKDXPGT-ZBFHGGJFSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623441 593884410 /nfs/dbraw/zinc/88/44/10/593884410.db2.gz LILCJQGEKDXPGT-ZBFHGGJFSA-N 2 1 330.411 1.922 20 0 EDADMP CS(=O)(=O)N1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000820830658 593900217 /nfs/dbraw/zinc/90/02/17/593900217.db2.gz XWMPZODAKATRNR-WYQXTGKHSA-N 2 1 327.494 1.015 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821253735 593998070 /nfs/dbraw/zinc/99/80/70/593998070.db2.gz HZILVQHTUDLUIL-PBHICJAKSA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821253735 593998073 /nfs/dbraw/zinc/99/80/73/593998073.db2.gz HZILVQHTUDLUIL-PBHICJAKSA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821253735 593998076 /nfs/dbraw/zinc/99/80/76/593998076.db2.gz HZILVQHTUDLUIL-PBHICJAKSA-N 2 1 344.463 1.908 20 0 EDADMP CC[NH+]1CCN(CC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000826668873 594550451 /nfs/dbraw/zinc/55/04/51/594550451.db2.gz XJUVJMJNZOHSFV-GOSISDBHSA-N 2 1 336.524 1.537 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831572337 594684381 /nfs/dbraw/zinc/68/43/81/594684381.db2.gz UTYVXWPCBPRQDZ-KGLIPLIRSA-N 2 1 344.381 1.924 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831572337 594684382 /nfs/dbraw/zinc/68/43/82/594684382.db2.gz UTYVXWPCBPRQDZ-KGLIPLIRSA-N 2 1 344.381 1.924 20 0 EDADMP CCO[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000831718680 594695816 /nfs/dbraw/zinc/69/58/16/594695816.db2.gz NIKHINGFGRPPSK-QZTJIDSGSA-N 2 1 333.476 1.591 20 0 EDADMP CCO[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C[NH+](C)C ZINC000831745586 594698701 /nfs/dbraw/zinc/69/87/01/594698701.db2.gz TVBOTESRDIOWEK-RDJZCZTQSA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCO[C@@H]2CC[NH+](CC)C[C@@H]21 ZINC000840755161 594815063 /nfs/dbraw/zinc/81/50/63/594815063.db2.gz QKQOYVDRXRQQHS-OWCLPIDISA-N 2 1 340.537 1.140 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CCO[C@@H]2CC[N@H+](CC)C[C@@H]21 ZINC000840755161 594815065 /nfs/dbraw/zinc/81/50/65/594815065.db2.gz QKQOYVDRXRQQHS-OWCLPIDISA-N 2 1 340.537 1.140 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)N1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000840755161 594815066 /nfs/dbraw/zinc/81/50/66/594815066.db2.gz QKQOYVDRXRQQHS-OWCLPIDISA-N 2 1 340.537 1.140 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000841327207 594885295 /nfs/dbraw/zinc/88/52/95/594885295.db2.gz FBDWZYXCRFTKPG-HZPDHXFCSA-N 2 1 346.431 1.153 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)cn1 ZINC000841721899 594943577 /nfs/dbraw/zinc/94/35/77/594943577.db2.gz KLCQGKAKKSOONT-MRXNPFEDSA-N 2 1 342.447 1.907 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000841722628 594943634 /nfs/dbraw/zinc/94/36/34/594943634.db2.gz PJASAQYCZNAWKC-CJNGLKHVSA-N 2 1 342.447 1.763 20 0 EDADMP C[C@@]1(CNC(=O)N2CC[C@H](C[NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841896452 594976308 /nfs/dbraw/zinc/97/63/08/594976308.db2.gz MJOYCHKRIBMHKB-MJGOQNOKSA-N 2 1 330.476 1.889 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000843263555 595057657 /nfs/dbraw/zinc/05/76/57/595057657.db2.gz YEAKREMPLSURLR-OAHLLOKOSA-N 2 1 340.512 1.248 20 0 EDADMP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355402 595085224 /nfs/dbraw/zinc/08/52/24/595085224.db2.gz NDXRNZFYMWPWJN-OTBWCIGPSA-N 2 1 325.497 1.900 20 0 EDADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000843363446 595088627 /nfs/dbraw/zinc/08/86/27/595088627.db2.gz JCOLGUAUMVUCKW-UHFFFAOYSA-N 2 1 331.420 1.529 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843378355 595094205 /nfs/dbraw/zinc/09/42/05/595094205.db2.gz RLUGKGDVZGOHPH-NWDGAFQWSA-N 2 1 331.420 1.656 20 0 EDADMP CC[C@H]1CN(C(=O)[C@H](O)c2cnc[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000867400629 595102002 /nfs/dbraw/zinc/10/20/02/595102002.db2.gz DBPIYBPMYIEWAX-DOTOQJQBSA-N 2 1 328.416 1.566 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000846219347 595176875 /nfs/dbraw/zinc/17/68/75/595176875.db2.gz PFSXHXHLPHWRJZ-UHFFFAOYSA-N 2 1 327.494 1.724 20 0 EDADMP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000843063427 595277570 /nfs/dbraw/zinc/27/75/70/595277570.db2.gz ZVFBXXNMJVHLSL-QGZVFWFLSA-N 2 1 334.464 1.128 20 0 EDADMP CON(C)C(=O)CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000843095155 595286562 /nfs/dbraw/zinc/28/65/62/595286562.db2.gz NCTBBRGMPGQOEH-KRWDZBQOSA-N 2 1 335.448 1.143 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000848024185 595305977 /nfs/dbraw/zinc/30/59/77/595305977.db2.gz FPJPBMNQVPTOCX-YOEHRIQHSA-N 2 1 331.476 1.408 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccc3nonc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000846843161 595325476 /nfs/dbraw/zinc/32/54/76/595325476.db2.gz ZVFYSTRAINYOHT-KBXCAEBGSA-N 2 1 329.448 1.681 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc3nonc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000846843161 595325479 /nfs/dbraw/zinc/32/54/79/595325479.db2.gz ZVFYSTRAINYOHT-KBXCAEBGSA-N 2 1 329.448 1.681 20 0 EDADMP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000847311825 595393956 /nfs/dbraw/zinc/39/39/56/595393956.db2.gz ISTXIUAWCJMKHR-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)n3)C2)C1 ZINC000844902845 595411077 /nfs/dbraw/zinc/41/10/77/595411077.db2.gz RISRQABMTNVUNJ-FCEWJHQRSA-N 2 1 341.459 1.986 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)n3)C2)C1 ZINC000844902845 595411079 /nfs/dbraw/zinc/41/10/79/595411079.db2.gz RISRQABMTNVUNJ-FCEWJHQRSA-N 2 1 341.459 1.986 20 0 EDADMP O=C(OCCC[NH+]1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848775477 595444661 /nfs/dbraw/zinc/44/46/61/595444661.db2.gz ZGTXGECJSBEXAM-SFHVURJKSA-N 2 1 332.444 1.774 20 0 EDADMP O=C(OCCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848775477 595444664 /nfs/dbraw/zinc/44/46/64/595444664.db2.gz ZGTXGECJSBEXAM-SFHVURJKSA-N 2 1 332.444 1.774 20 0 EDADMP [NH2+]=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NC[C@@H]1CCCO1 ZINC000849010485 595474635 /nfs/dbraw/zinc/47/46/35/595474635.db2.gz PEGIKHLUORQZDF-KRWDZBQOSA-N 2 1 332.448 1.312 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000849081461 595479566 /nfs/dbraw/zinc/47/95/66/595479566.db2.gz ABEIVKHIHGIWEY-LLVKDONJSA-N 2 1 339.390 1.488 20 0 EDADMP O=C1[C@@H]([N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1C1CCOCC1 ZINC000852753448 595526896 /nfs/dbraw/zinc/52/68/96/595526896.db2.gz BEDGVIPMLKRUIC-WMZOPIPTSA-N 2 1 335.492 1.478 20 0 EDADMP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc21 ZINC000852797743 595548072 /nfs/dbraw/zinc/54/80/72/595548072.db2.gz AKIDEEHYAOTLCZ-OKZBNKHCSA-N 2 1 343.471 1.658 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849527057 595558158 /nfs/dbraw/zinc/55/81/58/595558158.db2.gz UFUGDBPOCCCGEG-IRXDYDNUSA-N 2 1 333.480 1.010 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849527057 595558160 /nfs/dbraw/zinc/55/81/60/595558160.db2.gz UFUGDBPOCCCGEG-IRXDYDNUSA-N 2 1 333.480 1.010 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849527057 595558162 /nfs/dbraw/zinc/55/81/62/595558162.db2.gz UFUGDBPOCCCGEG-IRXDYDNUSA-N 2 1 333.480 1.010 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H]2CC[NH+](CC3CC3)C2)cn1 ZINC000849525122 595558479 /nfs/dbraw/zinc/55/84/79/595558479.db2.gz LTUKCYFCBCRHOW-BZSNNMDCSA-N 2 1 345.491 1.056 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cn1 ZINC000849525122 595558484 /nfs/dbraw/zinc/55/84/84/595558484.db2.gz LTUKCYFCBCRHOW-BZSNNMDCSA-N 2 1 345.491 1.056 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cn1 ZINC000849525122 595558487 /nfs/dbraw/zinc/55/84/87/595558487.db2.gz LTUKCYFCBCRHOW-BZSNNMDCSA-N 2 1 345.491 1.056 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000849555899 595566339 /nfs/dbraw/zinc/56/63/39/595566339.db2.gz ZOFHZNSUEBNGEF-XMTFNYHQSA-N 2 1 345.491 1.151 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000849555899 595566342 /nfs/dbraw/zinc/56/63/42/595566342.db2.gz ZOFHZNSUEBNGEF-XMTFNYHQSA-N 2 1 345.491 1.151 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000849555899 595566345 /nfs/dbraw/zinc/56/63/45/595566345.db2.gz ZOFHZNSUEBNGEF-XMTFNYHQSA-N 2 1 345.491 1.151 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849559213 595567734 /nfs/dbraw/zinc/56/77/34/595567734.db2.gz SLIBSRKVIFJUGY-IAGOWNOFSA-N 2 1 335.496 1.304 20 0 EDADMP CCC[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849559213 595567736 /nfs/dbraw/zinc/56/77/36/595567736.db2.gz SLIBSRKVIFJUGY-IAGOWNOFSA-N 2 1 335.496 1.304 20 0 EDADMP CCC[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849559213 595567739 /nfs/dbraw/zinc/56/77/39/595567739.db2.gz SLIBSRKVIFJUGY-IAGOWNOFSA-N 2 1 335.496 1.304 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000857858199 595634156 /nfs/dbraw/zinc/63/41/56/595634156.db2.gz ISQNIDVVMPPAEJ-QGZVFWFLSA-N 2 1 341.459 1.868 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000855345680 595680618 /nfs/dbraw/zinc/68/06/18/595680618.db2.gz GBCOQRCNSKIQMA-VIHMKRCTSA-N 2 1 347.459 1.817 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000855345680 595680622 /nfs/dbraw/zinc/68/06/22/595680622.db2.gz GBCOQRCNSKIQMA-VIHMKRCTSA-N 2 1 347.459 1.817 20 0 EDADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)CC1(C)C ZINC000858178594 595721930 /nfs/dbraw/zinc/72/19/30/595721930.db2.gz YVOQDKPHYUKEHK-CABCVRRESA-N 2 1 326.481 1.865 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1CON=C(N)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000853685696 595855119 /nfs/dbraw/zinc/85/51/19/595855119.db2.gz NDCAFHZVILLQFI-JKSUJKDBSA-N 2 1 326.485 1.857 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1CON=C(N)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000853685696 595855122 /nfs/dbraw/zinc/85/51/22/595855122.db2.gz NDCAFHZVILLQFI-JKSUJKDBSA-N 2 1 326.485 1.857 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(N)=NOC[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000853685696 595855124 /nfs/dbraw/zinc/85/51/24/595855124.db2.gz NDCAFHZVILLQFI-JKSUJKDBSA-N 2 1 326.485 1.857 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(N)=NOC[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000853685696 595855127 /nfs/dbraw/zinc/85/51/27/595855127.db2.gz NDCAFHZVILLQFI-JKSUJKDBSA-N 2 1 326.485 1.857 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000851666774 595875870 /nfs/dbraw/zinc/87/58/70/595875870.db2.gz IUJVUEVSTHZXMG-JSGCOSHPSA-N 2 1 330.423 1.690 20 0 EDADMP CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000861351859 595957997 /nfs/dbraw/zinc/95/79/97/595957997.db2.gz FUOUHPCHUKOJFN-NVXWUHKLSA-N 2 1 330.388 1.533 20 0 EDADMP CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000861351859 595957998 /nfs/dbraw/zinc/95/79/98/595957998.db2.gz FUOUHPCHUKOJFN-NVXWUHKLSA-N 2 1 330.388 1.533 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC(=O)NC)C2)ccn1 ZINC000856584264 596020302 /nfs/dbraw/zinc/02/03/02/596020302.db2.gz GIDIJRYQFWOMNG-KRWDZBQOSA-N 2 1 334.464 1.513 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCC(=O)NC)C2)ccn1 ZINC000856584264 596020306 /nfs/dbraw/zinc/02/03/06/596020306.db2.gz GIDIJRYQFWOMNG-KRWDZBQOSA-N 2 1 334.464 1.513 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCC(=O)NC)C2)ccn1 ZINC000856584264 596020310 /nfs/dbraw/zinc/02/03/10/596020310.db2.gz GIDIJRYQFWOMNG-KRWDZBQOSA-N 2 1 334.464 1.513 20 0 EDADMP C[Si](C)(CC[NH+]1C[C@@H]2C[C@]2(CO)C1)CC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000859270992 596025152 /nfs/dbraw/zinc/02/51/52/596025152.db2.gz ZRPMHVITILNESU-WNRNVDISSA-N 2 1 338.568 1.323 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000852064842 596030362 /nfs/dbraw/zinc/03/03/62/596030362.db2.gz RXAHTIHSKOJIBK-MRXNPFEDSA-N 2 1 326.485 1.269 20 0 EDADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856635427 596041610 /nfs/dbraw/zinc/04/16/10/596041610.db2.gz RZGGTOVQCVVVAZ-SFHVURJKSA-N 2 1 348.491 1.855 20 0 EDADMP CCC[NH+](C)CC(=O)N1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856635427 596041613 /nfs/dbraw/zinc/04/16/13/596041613.db2.gz RZGGTOVQCVVVAZ-SFHVURJKSA-N 2 1 348.491 1.855 20 0 EDADMP CCC[NH+](C)CC(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856635427 596041616 /nfs/dbraw/zinc/04/16/16/596041616.db2.gz RZGGTOVQCVVVAZ-SFHVURJKSA-N 2 1 348.491 1.855 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CCOC[C@@H]1[C@H]1CCC[NH+]1C ZINC000854642671 596145817 /nfs/dbraw/zinc/14/58/17/596145817.db2.gz QYAWXFLJGHJGIW-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000854642671 596145819 /nfs/dbraw/zinc/14/58/19/596145819.db2.gz QYAWXFLJGHJGIW-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000854642671 596145821 /nfs/dbraw/zinc/14/58/21/596145821.db2.gz QYAWXFLJGHJGIW-IAGOWNOFSA-N 2 1 325.497 1.820 20 0 EDADMP Cc1cccnc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000866669316 596286126 /nfs/dbraw/zinc/28/61/26/596286126.db2.gz XNGBKGZWWKKNQU-OAGGEKHMSA-N 2 1 332.448 1.689 20 0 EDADMP Cc1cccnc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000866669316 596286128 /nfs/dbraw/zinc/28/61/28/596286128.db2.gz XNGBKGZWWKKNQU-OAGGEKHMSA-N 2 1 332.448 1.689 20 0 EDADMP CSc1ccccc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711251 596305038 /nfs/dbraw/zinc/30/50/38/596305038.db2.gz GIBSQPVKZKVCGG-KFWWJZLASA-N 2 1 333.457 1.775 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000866714768 596306740 /nfs/dbraw/zinc/30/67/40/596306740.db2.gz WZBVZIBPLLZQEV-ZNMIVQPWSA-N 2 1 337.370 1.991 20 0 EDADMP Cc1ccccc1CCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714480 596306960 /nfs/dbraw/zinc/30/69/60/596306960.db2.gz PSPOWQJGZDBAHU-KURKYZTESA-N 2 1 329.444 1.795 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870871042 596384860 /nfs/dbraw/zinc/38/48/60/596384860.db2.gz GUDFHGUTRQLOQP-ZWNOBZJWSA-N 2 1 326.238 1.517 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000863554298 596616911 /nfs/dbraw/zinc/61/69/11/596616911.db2.gz VXTARGVTHGRCAM-UHFFFAOYSA-N 2 1 347.415 1.419 20 0 EDADMP Cc1c[nH+]cn1Cc1nc(-c2ccc(N3CCC([NH3+])CC3)nc2)no1 ZINC000863656595 596645365 /nfs/dbraw/zinc/64/53/65/596645365.db2.gz QTMVUBWGTCOIGI-UHFFFAOYSA-N 2 1 339.403 1.612 20 0 EDADMP CN1C(=O)C[C@H]([N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000871600780 596648995 /nfs/dbraw/zinc/64/89/95/596648995.db2.gz DFDKJWBBIUBRAM-TXPKVOOTSA-N 2 1 327.428 1.198 20 0 EDADMP CN1C(=O)C[C@H]([N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000871600780 596648996 /nfs/dbraw/zinc/64/89/96/596648996.db2.gz DFDKJWBBIUBRAM-TXPKVOOTSA-N 2 1 327.428 1.198 20 0 EDADMP CN1C(=O)C[C@H]([NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000871600780 596648997 /nfs/dbraw/zinc/64/89/97/596648997.db2.gz DFDKJWBBIUBRAM-TXPKVOOTSA-N 2 1 327.428 1.198 20 0 EDADMP CN1C(=O)C[C@H]([NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000871600780 596648998 /nfs/dbraw/zinc/64/89/98/596648998.db2.gz DFDKJWBBIUBRAM-TXPKVOOTSA-N 2 1 327.428 1.198 20 0 EDADMP O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1cn2ccccc2[nH+]1 ZINC000871677188 596668329 /nfs/dbraw/zinc/66/83/29/596668329.db2.gz ZTWPHWOECLGVQF-UHFFFAOYSA-N 2 1 349.398 1.214 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)C(C)(F)F)cn2)CC1 ZINC000865789651 596683649 /nfs/dbraw/zinc/68/36/49/596683649.db2.gz LMVGEOWOVQDEGA-UHFFFAOYSA-N 2 1 327.423 1.999 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC000868163522 596706724 /nfs/dbraw/zinc/70/67/24/596706724.db2.gz LXXWCPVCGKXRIP-UHFFFAOYSA-N 2 1 345.491 1.650 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC[C@@H](O)C3CCCC3)cn2)CC1 ZINC000865875271 596707290 /nfs/dbraw/zinc/70/72/90/596707290.db2.gz NCXONDWKUFAAII-QGZVFWFLSA-N 2 1 333.480 1.259 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)CC[C@H]21 ZINC000868168634 596708836 /nfs/dbraw/zinc/70/88/36/596708836.db2.gz YVDWNAQNXOUHSL-HACGYAERSA-N 2 1 329.448 1.456 20 0 EDADMP C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[N@@H+](C)C1CC1 ZINC000868228567 596735999 /nfs/dbraw/zinc/73/59/99/596735999.db2.gz GDAOJQORWYTQOA-KNXALSJPSA-N 2 1 330.432 1.039 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000868298018 596773612 /nfs/dbraw/zinc/77/36/12/596773612.db2.gz OASITQNILMWPES-UHFFFAOYSA-N 2 1 346.475 1.677 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000868309866 596783335 /nfs/dbraw/zinc/78/33/35/596783335.db2.gz NQASKVHUEWUMEJ-DOTOQJQBSA-N 2 1 344.459 1.287 20 0 EDADMP CC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)[C@@H]1CCCOC1 ZINC000872036213 596798136 /nfs/dbraw/zinc/79/81/36/596798136.db2.gz TUNJPKHDAMRWCF-SQNIBIBYSA-N 2 1 325.497 1.188 20 0 EDADMP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000872146155 596810329 /nfs/dbraw/zinc/81/03/29/596810329.db2.gz GYEAUQDXRVPZLY-MLHJIOFPSA-N 2 1 337.508 1.508 20 0 EDADMP C[C@@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000868423475 596832583 /nfs/dbraw/zinc/83/25/83/596832583.db2.gz KBYPWJKVXCYYQL-HCEZTOJASA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000868423475 596832585 /nfs/dbraw/zinc/83/25/85/596832585.db2.gz KBYPWJKVXCYYQL-HCEZTOJASA-N 2 1 326.485 1.268 20 0 EDADMP CC(C)[NH+]1CCC(CCNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000868423555 596832772 /nfs/dbraw/zinc/83/27/72/596832772.db2.gz LNOGVCQKNRYNDJ-WBVHZDCISA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[NH+]1CCC(CCNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000868423555 596832775 /nfs/dbraw/zinc/83/27/75/596832775.db2.gz LNOGVCQKNRYNDJ-WBVHZDCISA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)(C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872254696 596855865 /nfs/dbraw/zinc/85/58/65/596855865.db2.gz BSNYAMIYHPYZSK-ZACQAIPSSA-N 2 1 329.444 1.831 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875578140 596903729 /nfs/dbraw/zinc/90/37/29/596903729.db2.gz DGAPUQHDUHNXSD-GJZGRUSLSA-N 2 1 326.485 1.005 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000875582346 596904790 /nfs/dbraw/zinc/90/47/90/596904790.db2.gz OMYQVBRWPVJUGD-FUHWJXTLSA-N 2 1 348.491 1.445 20 0 EDADMP COCC[N@H+](CC1CC[NH+](C)CC1)CN1C[C@@H](C(F)F)CC1=O ZINC000872632039 597000861 /nfs/dbraw/zinc/00/08/61/597000861.db2.gz RRCVNTVQGXGFOE-AWEZNQCLSA-N 2 1 333.423 1.348 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CN1C[C@@H](C(F)F)CC1=O ZINC000872632039 597000864 /nfs/dbraw/zinc/00/08/64/597000864.db2.gz RRCVNTVQGXGFOE-AWEZNQCLSA-N 2 1 333.423 1.348 20 0 EDADMP CC[C@H]1COCC[N@@H+]1CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000874707047 597151559 /nfs/dbraw/zinc/15/15/59/597151559.db2.gz DUTIWLHGKFQKJS-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP CC[C@H]1COCC[N@H+]1CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000874707047 597151563 /nfs/dbraw/zinc/15/15/63/597151563.db2.gz DUTIWLHGKFQKJS-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP CC[C@H]1COCC[NH+]1CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000874707047 597151566 /nfs/dbraw/zinc/15/15/66/597151566.db2.gz DUTIWLHGKFQKJS-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP CC[C@H]1COCC[NH+]1CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000874707047 597151569 /nfs/dbraw/zinc/15/15/69/597151569.db2.gz DUTIWLHGKFQKJS-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)C1 ZINC000876518365 597227928 /nfs/dbraw/zinc/22/79/28/597227928.db2.gz FMHQSBSADHZLSF-AWEZNQCLSA-N 2 1 345.443 1.876 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)C1 ZINC000873227515 597234005 /nfs/dbraw/zinc/23/40/05/597234005.db2.gz LCKDNFMEZBZGBH-PBHICJAKSA-N 2 1 335.423 1.476 20 0 EDADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)[nH]n1 ZINC000873226803 597234120 /nfs/dbraw/zinc/23/41/20/597234120.db2.gz BOMMRQTVPJYHFT-HZPDHXFCSA-N 2 1 347.507 1.910 20 0 EDADMP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)n[nH]1 ZINC000873226803 597234122 /nfs/dbraw/zinc/23/41/22/597234122.db2.gz BOMMRQTVPJYHFT-HZPDHXFCSA-N 2 1 347.507 1.910 20 0 EDADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)n[nH]1 ZINC000873226803 597234124 /nfs/dbraw/zinc/23/41/24/597234124.db2.gz BOMMRQTVPJYHFT-HZPDHXFCSA-N 2 1 347.507 1.910 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)cc1F ZINC000876736739 597313843 /nfs/dbraw/zinc/31/38/43/597313843.db2.gz MICBEADNNGTXMS-FZMZJTMJSA-N 2 1 338.333 1.776 20 0 EDADMP [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000876960871 597397630 /nfs/dbraw/zinc/39/76/30/597397630.db2.gz OJHXLMRBFVRTAT-BZSNNMDCSA-N 2 1 331.460 1.387 20 0 EDADMP C[N@H+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CCC1(C)C ZINC000877206795 597461567 /nfs/dbraw/zinc/46/15/67/597461567.db2.gz QGHTYEPYYNLOKT-AWEZNQCLSA-N 2 1 334.468 1.149 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000877228460 597468367 /nfs/dbraw/zinc/46/83/67/597468367.db2.gz AVOGJUVRHVGXCH-QZTJIDSGSA-N 2 1 329.444 1.360 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000877228460 597468369 /nfs/dbraw/zinc/46/83/69/597468369.db2.gz AVOGJUVRHVGXCH-QZTJIDSGSA-N 2 1 329.444 1.360 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)CC2)[nH+]c1 ZINC000877281858 597486217 /nfs/dbraw/zinc/48/62/17/597486217.db2.gz JUPKCZGZMMVVAI-SJORKVTESA-N 2 1 328.460 1.959 20 0 EDADMP CN(CCCCCC[NH3+])C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000877438180 597515621 /nfs/dbraw/zinc/51/56/21/597515621.db2.gz JRADVEGJSYILRO-LJQANCHMSA-N 2 1 346.519 1.953 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000877497195 597525395 /nfs/dbraw/zinc/52/53/95/597525395.db2.gz JKJDKJGMSYGTKA-UHFFFAOYSA-N 2 1 343.518 1.703 20 0 EDADMP COCC[N@H+](Cc1ccc(C(=O)OC)n1C)CC1CC[NH+](C)CC1 ZINC000877663891 597546072 /nfs/dbraw/zinc/54/60/72/597546072.db2.gz CMRRJBGYFYGKED-UHFFFAOYSA-N 2 1 337.464 1.602 20 0 EDADMP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000877726873 597551556 /nfs/dbraw/zinc/55/15/56/597551556.db2.gz NEMLGPJRQCHTNZ-SJLPKXTDSA-N 2 1 332.444 1.819 20 0 EDADMP Cn1nnnc1CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000878159958 597582921 /nfs/dbraw/zinc/58/29/21/597582921.db2.gz BKJVHSWRFSBZHH-IBGZPJMESA-N 2 1 340.475 1.741 20 0 EDADMP Cn1nnnc1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000878159958 597582922 /nfs/dbraw/zinc/58/29/22/597582922.db2.gz BKJVHSWRFSBZHH-IBGZPJMESA-N 2 1 340.475 1.741 20 0 EDADMP Cn1nnnc1CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000878159958 597582923 /nfs/dbraw/zinc/58/29/23/597582923.db2.gz BKJVHSWRFSBZHH-IBGZPJMESA-N 2 1 340.475 1.741 20 0 EDADMP CN(c1ccccc1)C1CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878168587 597583646 /nfs/dbraw/zinc/58/36/46/597583646.db2.gz TZNQVTVRNDJCCT-UHFFFAOYSA-N 2 1 344.503 1.798 20 0 EDADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)CC3(O)CCCCC3)CC2)C1 ZINC000878248356 597589889 /nfs/dbraw/zinc/58/98/89/597589889.db2.gz WMWLPZBAADPNFZ-MSOLQXFVSA-N 2 1 339.524 1.144 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)CC3(O)CCCCC3)CC2)C1 ZINC000878248356 597589890 /nfs/dbraw/zinc/58/98/90/597589890.db2.gz WMWLPZBAADPNFZ-MSOLQXFVSA-N 2 1 339.524 1.144 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCC4(CCOCC4)O3)CC2)C1 ZINC000878247994 597589907 /nfs/dbraw/zinc/58/99/07/597589907.db2.gz NBUVUPRTWLPFEQ-ROUUACIJSA-N 2 1 337.508 1.426 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCC4(CCOCC4)O3)CC2)C1 ZINC000878247994 597589908 /nfs/dbraw/zinc/58/99/08/597589908.db2.gz NBUVUPRTWLPFEQ-ROUUACIJSA-N 2 1 337.508 1.426 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCC4(CCOCC4)O3)CC2)C1 ZINC000878247995 597589925 /nfs/dbraw/zinc/58/99/25/597589925.db2.gz NBUVUPRTWLPFEQ-ZWKOTPCHSA-N 2 1 337.508 1.426 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCC4(CCOCC4)O3)CC2)C1 ZINC000878247995 597589926 /nfs/dbraw/zinc/58/99/26/597589926.db2.gz NBUVUPRTWLPFEQ-ZWKOTPCHSA-N 2 1 337.508 1.426 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000878274272 597591801 /nfs/dbraw/zinc/59/18/01/597591801.db2.gz YTSGQLIRPVSBPP-GOSISDBHSA-N 2 1 330.476 1.773 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000878274272 597591802 /nfs/dbraw/zinc/59/18/02/597591802.db2.gz YTSGQLIRPVSBPP-GOSISDBHSA-N 2 1 330.476 1.773 20 0 EDADMP CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878434907 597601797 /nfs/dbraw/zinc/60/17/97/597601797.db2.gz WMXXTUIUQGSIIT-SFHVURJKSA-N 2 1 344.503 1.798 20 0 EDADMP CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878434907 597601798 /nfs/dbraw/zinc/60/17/98/597601798.db2.gz WMXXTUIUQGSIIT-SFHVURJKSA-N 2 1 344.503 1.798 20 0 EDADMP O=c1oc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2o1 ZINC000883049470 597631768 /nfs/dbraw/zinc/63/17/68/597631768.db2.gz NIJXHPGAGZEETN-LSDHHAIUSA-N 2 1 332.400 1.853 20 0 EDADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H](O)CC(C)(C)O ZINC000878603201 597651570 /nfs/dbraw/zinc/65/15/70/597651570.db2.gz UIIJIYPGLBCUQQ-IBGZPJMESA-N 2 1 349.519 1.258 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000883350125 597722603 /nfs/dbraw/zinc/72/26/03/597722603.db2.gz XHFCFNSNVAWJPV-CQSZACIVSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CCN1c1cc[nH+]cc1 ZINC000883359256 597723902 /nfs/dbraw/zinc/72/39/02/597723902.db2.gz BOZFCVULOSSAGS-HZPDHXFCSA-N 2 1 331.464 1.644 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000878864324 597738239 /nfs/dbraw/zinc/73/82/39/597738239.db2.gz YGXHWDVTKCFORT-HNNXBMFYSA-N 2 1 341.496 1.680 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883415873 597739315 /nfs/dbraw/zinc/73/93/15/597739315.db2.gz HEXVPIUMXAHOGP-JKSUJKDBSA-N 2 1 336.480 1.166 20 0 EDADMP O[C@H]1CC[N@@H+](C2CC[NH+](C[C@H]3CCC4(CCOCC4)CO3)CC2)C1 ZINC000878993737 597778706 /nfs/dbraw/zinc/77/87/06/597778706.db2.gz NKZQPBUHUMVJEZ-ZWKOTPCHSA-N 2 1 338.492 1.493 20 0 EDADMP O[C@H]1CC[N@H+](C2CC[NH+](C[C@H]3CCC4(CCOCC4)CO3)CC2)C1 ZINC000878993737 597778708 /nfs/dbraw/zinc/77/87/08/597778708.db2.gz NKZQPBUHUMVJEZ-ZWKOTPCHSA-N 2 1 338.492 1.493 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CCOCC3)CCO1 ZINC000879001537 597781356 /nfs/dbraw/zinc/78/13/56/597781356.db2.gz ZVAMINIEOQCGSR-SJORKVTESA-N 2 1 326.481 1.615 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)CCO1 ZINC000879001537 597781358 /nfs/dbraw/zinc/78/13/58/597781358.db2.gz ZVAMINIEOQCGSR-SJORKVTESA-N 2 1 326.481 1.615 20 0 EDADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000883586724 597815260 /nfs/dbraw/zinc/81/52/60/597815260.db2.gz RHLHISDLLZINEQ-SJLPKXTDSA-N 2 1 343.475 1.845 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)CCN1c1cc[nH+]cc1 ZINC000880260503 597886364 /nfs/dbraw/zinc/88/63/64/597886364.db2.gz DBOHNVSKJOPFGZ-NXHRZFHOSA-N 2 1 335.448 1.149 20 0 EDADMP COc1cccc(C[NH+]2CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)c1 ZINC000879449926 597920798 /nfs/dbraw/zinc/92/07/98/597920798.db2.gz UKHLZDYUHCZMSU-SFHVURJKSA-N 2 1 335.492 1.514 20 0 EDADMP COc1cccc(C[NH+]2CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC2)c1 ZINC000879449926 597920800 /nfs/dbraw/zinc/92/08/00/597920800.db2.gz UKHLZDYUHCZMSU-SFHVURJKSA-N 2 1 335.492 1.514 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880475503 597940720 /nfs/dbraw/zinc/94/07/20/597940720.db2.gz VIHCAJHXBPSLEL-OAHLLOKOSA-N 2 1 341.496 1.822 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC2(CCC2)CO1 ZINC000889332521 597941346 /nfs/dbraw/zinc/94/13/46/597941346.db2.gz CVMACLTVNSKYFM-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC2(CCC2)CO1 ZINC000889332521 597941349 /nfs/dbraw/zinc/94/13/49/597941349.db2.gz CVMACLTVNSKYFM-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)[NH+]1CCOCC1 ZINC000884184413 598017838 /nfs/dbraw/zinc/01/78/38/598017838.db2.gz PNHMDRVNWZDFLW-CVEARBPZSA-N 2 1 325.497 1.485 20 0 EDADMP [NH3+]Cc1ocnc1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000884401784 598094187 /nfs/dbraw/zinc/09/41/87/598094187.db2.gz APXIHYZYPHPZQI-UHFFFAOYSA-N 2 1 329.404 1.170 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3scnc3Cl)nn2)CC1 ZINC000881391250 598137933 /nfs/dbraw/zinc/13/79/33/598137933.db2.gz XAZACGFMVRCEME-UHFFFAOYSA-N 2 1 326.857 1.402 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000914160490 695171895 /nfs/dbraw/zinc/17/18/95/695171895.db2.gz FFCSOUZULKPIFR-BPUTZDHNSA-N 2 1 338.521 1.350 20 0 EDADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccnc1 ZINC000914160680 695172487 /nfs/dbraw/zinc/17/24/87/695172487.db2.gz ISEKGDJWPNETKN-MAUKXSAKSA-N 2 1 345.491 1.858 20 0 EDADMP CC(C)c1nccn1CC(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001031034398 695240713 /nfs/dbraw/zinc/24/07/13/695240713.db2.gz PLYWSJDYHOZDPI-HNNXBMFYSA-N 2 1 334.464 1.624 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCn3cccn3)[C@H]2C)CC1 ZINC000994081802 696516596 /nfs/dbraw/zinc/51/65/96/696516596.db2.gz PVOVFCILJDNRKF-ZWKOTPCHSA-N 2 1 347.507 1.584 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CCC[N@H+]1CCCO ZINC000994203095 696578220 /nfs/dbraw/zinc/57/82/20/696578220.db2.gz JPKUPLLZBBZVEV-YJBOKZPZSA-N 2 1 337.508 1.460 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1CC1CCOCC1 ZINC000994261111 696674590 /nfs/dbraw/zinc/67/45/90/696674590.db2.gz YWUJVXSDJKDPID-RDJZCZTQSA-N 2 1 335.492 1.478 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000916578086 696682874 /nfs/dbraw/zinc/68/28/74/696682874.db2.gz TVJQXOXVHYWMHQ-INIZCTEOSA-N 2 1 345.491 1.902 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCc2cnn(C)c2)[C@H]1C ZINC000994427864 696855228 /nfs/dbraw/zinc/85/52/28/696855228.db2.gz VPLHKMIOSDNPRK-YOEHRIQHSA-N 2 1 344.463 1.137 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCc2cnn(C)c2)[C@H]1C ZINC000994427864 696855232 /nfs/dbraw/zinc/85/52/32/696855232.db2.gz VPLHKMIOSDNPRK-YOEHRIQHSA-N 2 1 344.463 1.137 20 0 EDADMP CCCCN(C)C(=O)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000917067582 696907025 /nfs/dbraw/zinc/90/70/25/696907025.db2.gz NSRVQPNKOPGHEY-KRWDZBQOSA-N 2 1 325.497 1.414 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000917889661 697103569 /nfs/dbraw/zinc/10/35/69/697103569.db2.gz HFUWSJVFYNOPQT-OAGGEKHMSA-N 2 1 340.537 1.740 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000917889661 697103570 /nfs/dbraw/zinc/10/35/70/697103570.db2.gz HFUWSJVFYNOPQT-OAGGEKHMSA-N 2 1 340.537 1.740 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000917889661 697103572 /nfs/dbraw/zinc/10/35/72/697103572.db2.gz HFUWSJVFYNOPQT-OAGGEKHMSA-N 2 1 340.537 1.740 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001031585058 697280671 /nfs/dbraw/zinc/28/06/71/697280671.db2.gz PBGXQFPNDDQMEZ-ZWKOTPCHSA-N 2 1 331.435 1.955 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC001031585170 697280913 /nfs/dbraw/zinc/28/09/13/697280913.db2.gz RDGSAETWICNQDE-HUUCEWRRSA-N 2 1 329.435 1.954 20 0 EDADMP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031594220 697292730 /nfs/dbraw/zinc/29/27/30/697292730.db2.gz WVRRMMDRKKIVSY-MSOLQXFVSA-N 2 1 331.460 1.516 20 0 EDADMP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031594220 697292732 /nfs/dbraw/zinc/29/27/32/697292732.db2.gz WVRRMMDRKKIVSY-MSOLQXFVSA-N 2 1 331.460 1.516 20 0 EDADMP C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000919657234 697311616 /nfs/dbraw/zinc/31/16/16/697311616.db2.gz HRUFECWLGXNUGE-SFHVURJKSA-N 2 1 332.492 1.897 20 0 EDADMP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001031675091 697484610 /nfs/dbraw/zinc/48/46/10/697484610.db2.gz VDRDEZQLPLKYFM-INIZCTEOSA-N 2 1 334.489 1.341 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000921331136 697558307 /nfs/dbraw/zinc/55/83/07/697558307.db2.gz XIZBNDXJCZLRGY-OIISXLGYSA-N 2 1 338.496 1.412 20 0 EDADMP CC1(C)CO[C@H](C[NH+]2CC(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001031732197 698125333 /nfs/dbraw/zinc/12/53/33/698125333.db2.gz XPFZCECOGWQGNI-HOTGVXAUSA-N 2 1 346.475 1.624 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CCCc3ccccc3)C2)O1 ZINC001031764030 699049500 /nfs/dbraw/zinc/04/95/00/699049500.db2.gz RSFKNMNJJJFTBV-VQIMIIECSA-N 2 1 345.487 1.386 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CCCc3ccccc3)C2)O1 ZINC001031764030 699049502 /nfs/dbraw/zinc/04/95/02/699049502.db2.gz RSFKNMNJJJFTBV-VQIMIIECSA-N 2 1 345.487 1.386 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CCCC3CCCC3)C2)O1 ZINC001031765880 699059169 /nfs/dbraw/zinc/05/91/69/699059169.db2.gz SPQWAFAQFCJWBG-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CCCC3CCCC3)C2)O1 ZINC001031765880 699059172 /nfs/dbraw/zinc/05/91/72/699059172.db2.gz SPQWAFAQFCJWBG-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP COc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001031776615 699151348 /nfs/dbraw/zinc/15/13/48/699151348.db2.gz KYQICVOVIWTPOO-GOSISDBHSA-N 2 1 331.460 1.728 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1nccs1 ZINC000939127344 699205203 /nfs/dbraw/zinc/20/52/03/699205203.db2.gz CLLRRTYXHZBYRQ-KGLIPLIRSA-N 2 1 336.505 1.812 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031802459 699364705 /nfs/dbraw/zinc/36/47/05/699364705.db2.gz RDDUHFUZWWFTPS-SFHVURJKSA-N 2 1 348.491 1.905 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031802459 699364708 /nfs/dbraw/zinc/36/47/08/699364708.db2.gz RDDUHFUZWWFTPS-SFHVURJKSA-N 2 1 348.491 1.905 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)o1 ZINC001031806789 699413976 /nfs/dbraw/zinc/41/39/76/699413976.db2.gz OYJVBGPKJGSGTP-QGZVFWFLSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)o1 ZINC001031806789 699413978 /nfs/dbraw/zinc/41/39/78/699413978.db2.gz OYJVBGPKJGSGTP-QGZVFWFLSA-N 2 1 348.491 1.960 20 0 EDADMP CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941603759 701593574 /nfs/dbraw/zinc/59/35/74/701593574.db2.gz NZMITYSBXXFTOV-PKOBYXMFSA-N 2 1 348.535 1.632 20 0 EDADMP Cc1cccc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000939314309 699488218 /nfs/dbraw/zinc/48/82/18/699488218.db2.gz LPDHDOPDORIBKX-PKOBYXMFSA-N 2 1 345.487 1.654 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC000939315462 699488823 /nfs/dbraw/zinc/48/88/23/699488823.db2.gz OUDPYUYMCWYFGR-SJLPKXTDSA-N 2 1 349.519 1.726 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1[NH2+]Cc1cnon1 ZINC000939315947 699488926 /nfs/dbraw/zinc/48/89/26/699488926.db2.gz PADCVZIOZVDPOQ-SUMWQHHRSA-N 2 1 343.431 1.382 20 0 EDADMP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC000939320683 699499209 /nfs/dbraw/zinc/49/92/09/699499209.db2.gz WZXHCKOSEWVPON-FUHWJXTLSA-N 2 1 346.475 1.049 20 0 EDADMP CCc1nocc1CN[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C ZINC000939622895 699759911 /nfs/dbraw/zinc/75/99/11/699759911.db2.gz PFWHODDCOINMJJ-BDJLRTHQSA-N 2 1 331.420 1.448 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)cc1 ZINC000939748568 699895582 /nfs/dbraw/zinc/89/55/82/699895582.db2.gz QNQXLXMANJHYLU-KSSFIOAISA-N 2 1 342.443 1.837 20 0 EDADMP Cc1nsc(C)c1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000939748850 699895720 /nfs/dbraw/zinc/89/57/20/699895720.db2.gz RUEHEYLNFLRONB-ZBEGNZNMSA-N 2 1 347.488 1.902 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940141847 700269803 /nfs/dbraw/zinc/26/98/03/700269803.db2.gz INBFWSFPDFTVIE-MRXNPFEDSA-N 2 1 345.491 1.822 20 0 EDADMP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000940178060 700311113 /nfs/dbraw/zinc/31/11/13/700311113.db2.gz BATDOWFREYWGIN-MRXNPFEDSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC000940247243 700411897 /nfs/dbraw/zinc/41/18/97/700411897.db2.gz BCLIDSANTSAQBE-UHFFFAOYSA-N 2 1 349.479 1.723 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3ccn(C)n3)CC2)C1 ZINC000940327930 700505396 /nfs/dbraw/zinc/50/53/96/700505396.db2.gz AARHGECQBLOBFQ-HNNXBMFYSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c(C)o1 ZINC000940327990 700505939 /nfs/dbraw/zinc/50/59/39/700505939.db2.gz BVSZJLXHCLXISI-XJKSGUPXSA-N 2 1 348.491 1.960 20 0 EDADMP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000940328362 700506239 /nfs/dbraw/zinc/50/62/39/700506239.db2.gz HPPLTOKIWAUDCP-OAHLLOKOSA-N 2 1 348.495 1.253 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nonc2C)CC1 ZINC000940471957 700657174 /nfs/dbraw/zinc/65/71/74/700657174.db2.gz CYGURSDFHJDJIC-INIZCTEOSA-N 2 1 349.479 1.723 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940472739 700658082 /nfs/dbraw/zinc/65/80/82/700658082.db2.gz TXAUIHJTGDSITM-INIZCTEOSA-N 2 1 345.491 1.822 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c(C)o1 ZINC000940457443 700660935 /nfs/dbraw/zinc/66/09/35/700660935.db2.gz GHFACIQYKUHKOC-HNNXBMFYSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1 ZINC000940461999 700665514 /nfs/dbraw/zinc/66/55/14/700665514.db2.gz VWNIOFOVUQATET-UHFFFAOYSA-N 2 1 333.461 1.819 20 0 EDADMP CCCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940462047 700665524 /nfs/dbraw/zinc/66/55/24/700665524.db2.gz YDIOSXSVQVJADW-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP CCCc1noc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940462047 700665526 /nfs/dbraw/zinc/66/55/26/700665526.db2.gz YDIOSXSVQVJADW-AWEZNQCLSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)no1 ZINC000995170151 701676576 /nfs/dbraw/zinc/67/65/76/701676576.db2.gz WFTDYMHLGWDQNS-ZIAGYGMSSA-N 2 1 347.463 1.102 20 0 EDADMP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838529 700935828 /nfs/dbraw/zinc/93/58/28/700935828.db2.gz IWHBWTSYEFTSKR-BZUAXINKSA-N 2 1 325.497 1.722 20 0 EDADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838529 700935829 /nfs/dbraw/zinc/93/58/29/700935829.db2.gz IWHBWTSYEFTSKR-BZUAXINKSA-N 2 1 325.497 1.722 20 0 EDADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838529 700935830 /nfs/dbraw/zinc/93/58/30/700935830.db2.gz IWHBWTSYEFTSKR-BZUAXINKSA-N 2 1 325.497 1.722 20 0 EDADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838529 700935831 /nfs/dbraw/zinc/93/58/31/700935831.db2.gz IWHBWTSYEFTSKR-BZUAXINKSA-N 2 1 325.497 1.722 20 0 EDADMP CC1(C)C[N@@H+](C[C@@H]2CCOC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000940865458 700947444 /nfs/dbraw/zinc/94/74/44/700947444.db2.gz ZFSMNWKMEPUXLM-IRXDYDNUSA-N 2 1 349.519 1.868 20 0 EDADMP C[NH+](C)CCc1ccccc1C(=O)N[C@H]1CC[N@@H+](CCO)CC1(C)C ZINC000940918031 700995379 /nfs/dbraw/zinc/99/53/79/700995379.db2.gz IOEWJCQZIJUDEC-SFHVURJKSA-N 2 1 347.503 1.613 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCCO)CC2(C)C)C1 ZINC000940972635 701014745 /nfs/dbraw/zinc/01/47/45/701014745.db2.gz OMZVTAISCFLFJH-SJORKVTESA-N 2 1 339.524 1.708 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CCCO)CC2(C)C)C1 ZINC000940972635 701014747 /nfs/dbraw/zinc/01/47/47/701014747.db2.gz OMZVTAISCFLFJH-SJORKVTESA-N 2 1 339.524 1.708 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCO)CC2(C)C)C1 ZINC000940972635 701014749 /nfs/dbraw/zinc/01/47/49/701014749.db2.gz OMZVTAISCFLFJH-SJORKVTESA-N 2 1 339.524 1.708 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029705 701070685 /nfs/dbraw/zinc/07/06/85/701070685.db2.gz ZIHNXBOKJXAJHI-HZPDHXFCSA-N 2 1 339.524 1.970 20 0 EDADMP CO[C@H](C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029705 701070688 /nfs/dbraw/zinc/07/06/88/701070688.db2.gz ZIHNXBOKJXAJHI-HZPDHXFCSA-N 2 1 339.524 1.970 20 0 EDADMP CO[C@H](C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029705 701070691 /nfs/dbraw/zinc/07/06/91/701070691.db2.gz ZIHNXBOKJXAJHI-HZPDHXFCSA-N 2 1 339.524 1.970 20 0 EDADMP CC1(C)C[N@@H+](CC2CCOCC2)CC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000941060617 701107416 /nfs/dbraw/zinc/10/74/16/701107416.db2.gz HZJOYLNUKQMFEM-MRXNPFEDSA-N 2 1 334.464 1.596 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941080285 701142489 /nfs/dbraw/zinc/14/24/89/701142489.db2.gz WBHGCGHOVLLGCW-ZBFHGGJFSA-N 2 1 325.497 1.316 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC000999169537 706598052 /nfs/dbraw/zinc/59/80/52/706598052.db2.gz KTLOSLBVVUJBLQ-CVEARBPZSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1ncoc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941215702 701401849 /nfs/dbraw/zinc/40/18/49/701401849.db2.gz AEPWNKXIGAQOTP-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215702 701401851 /nfs/dbraw/zinc/40/18/51/701401851.db2.gz AEPWNKXIGAQOTP-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC(C)C)CC2(C)C)C1 ZINC000941231767 701405551 /nfs/dbraw/zinc/40/55/51/701405551.db2.gz WLFHVAGKLWLORZ-CVEARBPZSA-N 2 1 325.497 1.580 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC(C)C)CC2(C)C)C1 ZINC000941231767 701405553 /nfs/dbraw/zinc/40/55/53/701405553.db2.gz WLFHVAGKLWLORZ-CVEARBPZSA-N 2 1 325.497 1.580 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CC(C)C)CC2(C)C)C1 ZINC000941231767 701405555 /nfs/dbraw/zinc/40/55/55/701405555.db2.gz WLFHVAGKLWLORZ-CVEARBPZSA-N 2 1 325.497 1.580 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(C)C)CC2(C)C)C1 ZINC000941231767 701405556 /nfs/dbraw/zinc/40/55/56/701405556.db2.gz WLFHVAGKLWLORZ-CVEARBPZSA-N 2 1 325.497 1.580 20 0 EDADMP CC[C@H](C(=O)N1CCN(C2C[NH+](Cc3ccccc3)C2)CC1)[NH+](C)C ZINC000941455214 701548542 /nfs/dbraw/zinc/54/85/42/701548542.db2.gz NBZBFGSCFVJDHH-LJQANCHMSA-N 2 1 344.503 1.355 20 0 EDADMP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)c1C ZINC001031976534 701966680 /nfs/dbraw/zinc/96/66/80/701966680.db2.gz OAXBSIFLSQXPMU-KBXCAEBGSA-N 2 1 345.487 1.749 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1C[NH+](C[C@@H]3CCCCO3)C1)C2 ZINC001031977503 702023965 /nfs/dbraw/zinc/02/39/65/702023965.db2.gz CGKFJQPWZOZHRO-AEFFLSMTSA-N 2 1 346.475 1.371 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995917502 702236151 /nfs/dbraw/zinc/23/61/51/702236151.db2.gz VNFDHHZSJLNWSK-IRXDYDNUSA-N 2 1 347.507 1.584 20 0 EDADMP CC1(C)CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cnon1 ZINC000996102767 702521495 /nfs/dbraw/zinc/52/14/95/702521495.db2.gz WABRYGVGSAWJCS-CVEARBPZSA-N 2 1 347.463 1.271 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC000996195915 702622891 /nfs/dbraw/zinc/62/28/91/702622891.db2.gz MMNBFDLQFQZECV-DUVNUKRYSA-N 2 1 349.479 1.435 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1(C)C ZINC000996195915 702622897 /nfs/dbraw/zinc/62/28/97/702622897.db2.gz MMNBFDLQFQZECV-DUVNUKRYSA-N 2 1 349.479 1.435 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000996299742 702690534 /nfs/dbraw/zinc/69/05/34/702690534.db2.gz DLPQPAJBTGACGR-UKRRQHHQSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)co1 ZINC000996300069 702691140 /nfs/dbraw/zinc/69/11/40/702691140.db2.gz JPTIOWWXEAEDLF-CJNGLKHVSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)co1 ZINC000996300069 702691142 /nfs/dbraw/zinc/69/11/42/702691142.db2.gz JPTIOWWXEAEDLF-CJNGLKHVSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000995219490 702761322 /nfs/dbraw/zinc/76/13/22/702761322.db2.gz YWGKLJOGCFNVAQ-NVXWUHKLSA-N 2 1 342.447 1.365 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000995220031 702764295 /nfs/dbraw/zinc/76/42/95/702764295.db2.gz ZXDXDCJIQYZVSN-DZGCQCFKSA-N 2 1 347.463 1.417 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)o1 ZINC000996479472 702811239 /nfs/dbraw/zinc/81/12/39/702811239.db2.gz ZQOWSSLYTWGKHJ-NVXWUHKLSA-N 2 1 346.475 1.938 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000996562780 702876879 /nfs/dbraw/zinc/87/68/79/702876879.db2.gz XCKNRQCZLLWDGM-OAHLLOKOSA-N 2 1 347.463 1.054 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C)c1ncccn1 ZINC000996608169 702911624 /nfs/dbraw/zinc/91/16/24/702911624.db2.gz BVIGTLFZXOMECR-HUUCEWRRSA-N 2 1 331.464 1.460 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000996617316 702924231 /nfs/dbraw/zinc/92/42/31/702924231.db2.gz AIRKAXYVPPYBGC-MSOLQXFVSA-N 2 1 344.459 1.025 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)o2)CC1 ZINC000996643690 702946423 /nfs/dbraw/zinc/94/64/23/702946423.db2.gz DXNLFCBVMJURMB-CZUORRHYSA-N 2 1 349.479 1.894 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)o1 ZINC000996664764 702967049 /nfs/dbraw/zinc/96/70/49/702967049.db2.gz ITDHPCWEGSMGBH-LBPRGKRZSA-N 2 1 335.452 1.504 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nonc2C)C(C)(C)C1 ZINC000996671899 702972811 /nfs/dbraw/zinc/97/28/11/702972811.db2.gz PKNGRYKDKRUMLA-CVEARBPZSA-N 2 1 349.479 1.579 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nonc2C)C(C)(C)C1 ZINC000996671899 702972814 /nfs/dbraw/zinc/97/28/14/702972814.db2.gz PKNGRYKDKRUMLA-CVEARBPZSA-N 2 1 349.479 1.579 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996680180 702978695 /nfs/dbraw/zinc/97/86/95/702978695.db2.gz UBDKDKLGIPBPEG-GDBMZVCRSA-N 2 1 332.448 1.378 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)no1 ZINC000996692579 702989872 /nfs/dbraw/zinc/98/98/72/702989872.db2.gz NTSOEFSPMVYBSK-WFASDCNBSA-N 2 1 337.468 1.606 20 0 EDADMP CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000995256990 703007430 /nfs/dbraw/zinc/00/74/30/703007430.db2.gz HGLHDSJESXLFTR-ZWKOTPCHSA-N 2 1 346.475 1.083 20 0 EDADMP CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000995256990 703007433 /nfs/dbraw/zinc/00/74/33/703007433.db2.gz HGLHDSJESXLFTR-ZWKOTPCHSA-N 2 1 346.475 1.083 20 0 EDADMP CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000995256990 703007436 /nfs/dbraw/zinc/00/74/36/703007436.db2.gz HGLHDSJESXLFTR-ZWKOTPCHSA-N 2 1 346.475 1.083 20 0 EDADMP CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000995256990 703007439 /nfs/dbraw/zinc/00/74/39/703007439.db2.gz HGLHDSJESXLFTR-ZWKOTPCHSA-N 2 1 346.475 1.083 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)n1 ZINC000996719961 703013741 /nfs/dbraw/zinc/01/37/41/703013741.db2.gz FGMZOLSSHYLKHV-UHFFFAOYSA-N 2 1 347.463 1.335 20 0 EDADMP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000996722539 703017795 /nfs/dbraw/zinc/01/77/95/703017795.db2.gz IZHJPGLQCXOMSJ-KRWDZBQOSA-N 2 1 333.480 1.468 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1)c1ncccn1 ZINC000996725117 703019852 /nfs/dbraw/zinc/01/98/52/703019852.db2.gz SAUHMMMFGICAAN-GOEBONIOSA-N 2 1 331.464 1.603 20 0 EDADMP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000996730528 703027161 /nfs/dbraw/zinc/02/71/61/703027161.db2.gz UKXCHFYOLCPZRM-KRWDZBQOSA-N 2 1 346.475 1.655 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccn2)C1 ZINC001032026793 703045894 /nfs/dbraw/zinc/04/58/94/703045894.db2.gz JQPDSKDAFABODM-SFHVURJKSA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccn2)C1 ZINC001032026793 703045897 /nfs/dbraw/zinc/04/58/97/703045897.db2.gz JQPDSKDAFABODM-SFHVURJKSA-N 2 1 330.476 1.893 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)n1 ZINC000996854321 703132995 /nfs/dbraw/zinc/13/29/95/703132995.db2.gz BYIPCMQZIHRADB-KRWDZBQOSA-N 2 1 347.463 1.333 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)cn1 ZINC000996995229 703252120 /nfs/dbraw/zinc/25/21/20/703252120.db2.gz MPBPWDXACNWGBU-OAHLLOKOSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)ncn1 ZINC000996997830 703254756 /nfs/dbraw/zinc/25/47/56/703254756.db2.gz HQDZJIOTTCEXHF-HNNXBMFYSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC000996998476 703255442 /nfs/dbraw/zinc/25/54/42/703255442.db2.gz KARKPYROXCZTSU-QWHCGFSZSA-N 2 1 335.452 1.504 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000997004208 703261136 /nfs/dbraw/zinc/26/11/36/703261136.db2.gz CBIXOBAAUMFOTD-IUODEOHRSA-N 2 1 329.435 1.810 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997006275 703263495 /nfs/dbraw/zinc/26/34/95/703263495.db2.gz FPJMMUICRKLTAL-SJCJKPOMSA-N 2 1 334.464 1.570 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000997006912 703264088 /nfs/dbraw/zinc/26/40/88/703264088.db2.gz HFRGCZAHFKIPBZ-SUMWQHHRSA-N 2 1 334.439 1.499 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000997008509 703266317 /nfs/dbraw/zinc/26/63/17/703266317.db2.gz MXOZRZGREDDAJR-KSSFIOAISA-N 2 1 345.491 1.108 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997009351 703270002 /nfs/dbraw/zinc/27/00/02/703270002.db2.gz ZTCJGTAHLYSDGR-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000997011416 703271600 /nfs/dbraw/zinc/27/16/00/703271600.db2.gz VIYCXRRXQKCOJQ-LRDDRELGSA-N 2 1 334.464 1.570 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1)c1cnccn1 ZINC000997084203 703322262 /nfs/dbraw/zinc/32/22/62/703322262.db2.gz KWQBKPZVIRTEHU-UONOGXRCSA-N 2 1 342.447 1.720 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821685 703330093 /nfs/dbraw/zinc/33/00/93/703330093.db2.gz GDCCWVBOVYDCSF-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1C[NH+](Cc2cnn(C)c2)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821685 703330096 /nfs/dbraw/zinc/33/00/96/703330096.db2.gz GDCCWVBOVYDCSF-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@@H]1C[NH+](Cc2cnn(C)c2)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821685 703330099 /nfs/dbraw/zinc/33/00/99/703330099.db2.gz GDCCWVBOVYDCSF-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000997086733 703332414 /nfs/dbraw/zinc/33/24/14/703332414.db2.gz AOPKTGIWIVQZTJ-JKSUJKDBSA-N 2 1 349.504 1.636 20 0 EDADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000997086733 703332416 /nfs/dbraw/zinc/33/24/16/703332416.db2.gz AOPKTGIWIVQZTJ-JKSUJKDBSA-N 2 1 349.504 1.636 20 0 EDADMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccccc1 ZINC001032405659 703429776 /nfs/dbraw/zinc/42/97/76/703429776.db2.gz NDWWIIHLYNZSAL-UFYCRDLUSA-N 2 1 339.483 1.856 20 0 EDADMP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405721 703429833 /nfs/dbraw/zinc/42/98/33/703429833.db2.gz QFDVKUGJSZIVJG-NJAFHUGGSA-N 2 1 335.492 1.573 20 0 EDADMP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405721 703429834 /nfs/dbraw/zinc/42/98/34/703429834.db2.gz QFDVKUGJSZIVJG-NJAFHUGGSA-N 2 1 335.492 1.573 20 0 EDADMP COCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405721 703429835 /nfs/dbraw/zinc/42/98/35/703429835.db2.gz QFDVKUGJSZIVJG-NJAFHUGGSA-N 2 1 335.492 1.573 20 0 EDADMP COCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405721 703429836 /nfs/dbraw/zinc/42/98/36/703429836.db2.gz QFDVKUGJSZIVJG-NJAFHUGGSA-N 2 1 335.492 1.573 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ncccc2C)CC[N@@H+]1C ZINC001032412379 703461637 /nfs/dbraw/zinc/46/16/37/703461637.db2.gz VRCQLMMHAADKSH-LSTDLKDCSA-N 2 1 342.487 1.905 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ncccc2C)CC[N@H+]1C ZINC001032412379 703461639 /nfs/dbraw/zinc/46/16/39/703461639.db2.gz VRCQLMMHAADKSH-LSTDLKDCSA-N 2 1 342.487 1.905 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ncccc2C)CC[NH+]1C ZINC001032412379 703461640 /nfs/dbraw/zinc/46/16/40/703461640.db2.gz VRCQLMMHAADKSH-LSTDLKDCSA-N 2 1 342.487 1.905 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ncccc2C)CC[NH+]1C ZINC001032412379 703461642 /nfs/dbraw/zinc/46/16/42/703461642.db2.gz VRCQLMMHAADKSH-LSTDLKDCSA-N 2 1 342.487 1.905 20 0 EDADMP C[C@@H](NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC[NH+](CC2CC2)CC1 ZINC000997229380 703505207 /nfs/dbraw/zinc/50/52/07/703505207.db2.gz VAPPKROVWUIGJJ-UZTJYVCTSA-N 2 1 347.503 1.476 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997300996 703544488 /nfs/dbraw/zinc/54/44/88/703544488.db2.gz ZBGBDUFPUIMHGY-CQSZACIVSA-N 2 1 332.448 1.123 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)c1nc(C2CC2)no1 ZINC000997296827 703555299 /nfs/dbraw/zinc/55/52/99/703555299.db2.gz CAYMPAJGYPWQLU-OCCSQVGLSA-N 2 1 347.463 1.540 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1nc(C2CC2)no1 ZINC000997296827 703555300 /nfs/dbraw/zinc/55/53/00/703555300.db2.gz CAYMPAJGYPWQLU-OCCSQVGLSA-N 2 1 347.463 1.540 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccnc(Cl)c3)CC2)C1 ZINC000997297222 703555642 /nfs/dbraw/zinc/55/56/42/703555642.db2.gz DGMZSJWBFDZIHJ-AWEZNQCLSA-N 2 1 336.867 1.767 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997299468 703556631 /nfs/dbraw/zinc/55/66/31/703556631.db2.gz NTTNTUQYYHEIEZ-CQSZACIVSA-N 2 1 334.464 1.578 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)cn2)CC1 ZINC000997366607 703600583 /nfs/dbraw/zinc/60/05/83/703600583.db2.gz HJQHXXDVTLJBRP-SFHVURJKSA-N 2 1 345.491 1.740 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccc(OC)cc1)[NH+](C)C ZINC001032473935 703692693 /nfs/dbraw/zinc/69/26/93/703692693.db2.gz IIFLCMPMJMMXLG-JENIJYKNSA-N 2 1 345.487 1.863 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccc(OC)cc1)[NH+](C)C ZINC001032473935 703692694 /nfs/dbraw/zinc/69/26/94/703692694.db2.gz IIFLCMPMJMMXLG-JENIJYKNSA-N 2 1 345.487 1.863 20 0 EDADMP COC(=O)[C@H](C)Oc1ccccc1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000921634253 703787500 /nfs/dbraw/zinc/78/75/00/703787500.db2.gz SJTDANAQESCKPT-ZFWWWQNUSA-N 2 1 329.400 1.928 20 0 EDADMP Cc1ncsc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997605640 703903341 /nfs/dbraw/zinc/90/33/41/703903341.db2.gz GRVXAGODGLHCET-OAHLLOKOSA-N 2 1 336.505 1.874 20 0 EDADMP COc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)on1 ZINC000997611939 703909275 /nfs/dbraw/zinc/90/92/75/703909275.db2.gz IFGBLOPXBJJKPY-OAHLLOKOSA-N 2 1 336.436 1.106 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)sn1 ZINC000997613804 703913321 /nfs/dbraw/zinc/91/33/21/703913321.db2.gz PYHSGYWKNMMXAS-INIZCTEOSA-N 2 1 336.505 1.874 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997640961 703945840 /nfs/dbraw/zinc/94/58/40/703945840.db2.gz CHLSEVYBQWUBKD-YJBOKZPZSA-N 2 1 347.507 1.621 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C(C)(C)C1 ZINC000995550923 703954634 /nfs/dbraw/zinc/95/46/34/703954634.db2.gz KQIXENAXLXXJTD-IAGOWNOFSA-N 2 1 345.491 1.250 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC001004207587 703966203 /nfs/dbraw/zinc/96/62/03/703966203.db2.gz HCTAYIGFQFLBAW-QAPCUYQASA-N 2 1 345.491 1.993 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC001004207587 703966205 /nfs/dbraw/zinc/96/62/05/703966205.db2.gz HCTAYIGFQFLBAW-QAPCUYQASA-N 2 1 345.491 1.993 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2nccnc2C)CC1 ZINC001004207738 703967100 /nfs/dbraw/zinc/96/71/00/703967100.db2.gz ITHPWSGTFCXEOF-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2nccnc2C)CC1 ZINC001004207738 703967103 /nfs/dbraw/zinc/96/71/03/703967103.db2.gz ITHPWSGTFCXEOF-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033071340 704092632 /nfs/dbraw/zinc/09/26/32/704092632.db2.gz ZHCAVNNSFJLACU-SJORKVTESA-N 2 1 333.480 1.289 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033071340 704092634 /nfs/dbraw/zinc/09/26/34/704092634.db2.gz ZHCAVNNSFJLACU-SJORKVTESA-N 2 1 333.480 1.289 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033071340 704092637 /nfs/dbraw/zinc/09/26/37/704092637.db2.gz ZHCAVNNSFJLACU-SJORKVTESA-N 2 1 333.480 1.289 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033073048 704112342 /nfs/dbraw/zinc/11/23/42/704112342.db2.gz PUQUZYZMXOZHDS-IAGOWNOFSA-N 2 1 333.480 1.326 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033073048 704112346 /nfs/dbraw/zinc/11/23/46/704112346.db2.gz PUQUZYZMXOZHDS-IAGOWNOFSA-N 2 1 333.480 1.326 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033073048 704112349 /nfs/dbraw/zinc/11/23/49/704112349.db2.gz PUQUZYZMXOZHDS-IAGOWNOFSA-N 2 1 333.480 1.326 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033073048 704112350 /nfs/dbraw/zinc/11/23/50/704112350.db2.gz PUQUZYZMXOZHDS-IAGOWNOFSA-N 2 1 333.480 1.326 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033080208 704145329 /nfs/dbraw/zinc/14/53/29/704145329.db2.gz FOUSUMSFYWAFBD-NVXWUHKLSA-N 2 1 348.516 1.560 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033080191 704145690 /nfs/dbraw/zinc/14/56/90/704145690.db2.gz FDVFXERSGMJNNJ-SJLPKXTDSA-N 2 1 335.492 1.430 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3cnc(C)o3)C2)CC[N@H+]1C ZINC001033100021 704225080 /nfs/dbraw/zinc/22/50/80/704225080.db2.gz VLJZXGZMRNDSNQ-BHYGNILZSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cnc(C)o3)C2)CC[N@@H+]1C ZINC001033100021 704225083 /nfs/dbraw/zinc/22/50/83/704225083.db2.gz VLJZXGZMRNDSNQ-BHYGNILZSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cnc(C)o3)C2)CC[N@H+]1C ZINC001033100021 704225085 /nfs/dbraw/zinc/22/50/85/704225085.db2.gz VLJZXGZMRNDSNQ-BHYGNILZSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cnc(C)o3)C2)CC[NH+]1C ZINC001033100021 704225086 /nfs/dbraw/zinc/22/50/86/704225086.db2.gz VLJZXGZMRNDSNQ-BHYGNILZSA-N 2 1 334.464 1.746 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnc(C)o3)C2)CC[NH+]1C ZINC001033100021 704225087 /nfs/dbraw/zinc/22/50/87/704225087.db2.gz VLJZXGZMRNDSNQ-BHYGNILZSA-N 2 1 334.464 1.746 20 0 EDADMP O=C([C@H]1C[C@@H]2CCCC[NH+]2C1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946592697 704230516 /nfs/dbraw/zinc/23/05/16/704230516.db2.gz USINFWYQICIKNQ-RDGPPVDQSA-N 2 1 349.519 1.414 20 0 EDADMP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946592697 704230518 /nfs/dbraw/zinc/23/05/18/704230518.db2.gz USINFWYQICIKNQ-RDGPPVDQSA-N 2 1 349.519 1.414 20 0 EDADMP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946592697 704230521 /nfs/dbraw/zinc/23/05/21/704230521.db2.gz USINFWYQICIKNQ-RDGPPVDQSA-N 2 1 349.519 1.414 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H](C)C1CC[NH+](CCF)CC1)CC2 ZINC000997734329 704627055 /nfs/dbraw/zinc/62/70/55/704627055.db2.gz HYVBDWSAFPPULG-XJKSGUPXSA-N 2 1 336.455 1.940 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000997860916 704771679 /nfs/dbraw/zinc/77/16/79/704771679.db2.gz OCXCYTCEEVPJDS-DOTOQJQBSA-N 2 1 330.476 1.750 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000997866811 704772190 /nfs/dbraw/zinc/77/21/90/704772190.db2.gz UZCNRHRXWFQVOK-OAHLLOKOSA-N 2 1 337.493 1.351 20 0 EDADMP Cc1conc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997865088 704772541 /nfs/dbraw/zinc/77/25/41/704772541.db2.gz KWKLTAPLPLOETF-QGZVFWFLSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2scnc2C)CC1 ZINC000997914619 704975203 /nfs/dbraw/zinc/97/52/03/704975203.db2.gz KFRKXQRCIIZRKV-UHFFFAOYSA-N 2 1 347.488 1.985 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2cnc(C)nc2)CC1 ZINC000997916293 704980747 /nfs/dbraw/zinc/98/07/47/704980747.db2.gz QZNRZJVJPXJZPL-UHFFFAOYSA-N 2 1 342.447 1.318 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2nccnc2C)CC1 ZINC000997916290 704980813 /nfs/dbraw/zinc/98/08/13/704980813.db2.gz QXVCNICQGCJMOK-UHFFFAOYSA-N 2 1 342.447 1.318 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCC[NH+](CCCO)CC2)CC[N@H+]1C ZINC000998004433 705166720 /nfs/dbraw/zinc/16/67/20/705166720.db2.gz AIQUZOMYIFUJMF-OKZBNKHCSA-N 2 1 339.524 1.802 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCC[N@H+](CCCO)CC2)CC[NH+]1C ZINC000998004433 705166722 /nfs/dbraw/zinc/16/67/22/705166722.db2.gz AIQUZOMYIFUJMF-OKZBNKHCSA-N 2 1 339.524 1.802 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCC[N@@H+](CCCO)CC2)CC[NH+]1C ZINC000998004433 705166725 /nfs/dbraw/zinc/16/67/25/705166725.db2.gz AIQUZOMYIFUJMF-OKZBNKHCSA-N 2 1 339.524 1.802 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)nc1 ZINC000998080545 705306080 /nfs/dbraw/zinc/30/60/80/705306080.db2.gz DBYJZTOUIDMXJP-OAHLLOKOSA-N 2 1 345.491 1.455 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)on1 ZINC000998082514 705310147 /nfs/dbraw/zinc/31/01/47/705310147.db2.gz QDSUWWWRTJODMB-GUYCJALGSA-N 2 1 334.464 1.509 20 0 EDADMP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998083136 705311999 /nfs/dbraw/zinc/31/19/99/705311999.db2.gz VNOASFTZZHNEHR-DOTOQJQBSA-N 2 1 347.507 1.429 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@@H]1CCC[N@H+](CC)CC1 ZINC000998104163 705348689 /nfs/dbraw/zinc/34/86/89/705348689.db2.gz TVNLYXQVUXMCFP-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@@H]1CCC[N@@H+](CC)CC1 ZINC000998104163 705348692 /nfs/dbraw/zinc/34/86/92/705348692.db2.gz TVNLYXQVUXMCFP-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)[C@@H]1CCC[NH+](CC)CC1 ZINC000998104163 705348693 /nfs/dbraw/zinc/34/86/93/705348693.db2.gz TVNLYXQVUXMCFP-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)[C@@H]1CCC[NH+](CC)CC1 ZINC000998104163 705348696 /nfs/dbraw/zinc/34/86/96/705348696.db2.gz TVNLYXQVUXMCFP-IAGOWNOFSA-N 2 1 325.497 1.819 20 0 EDADMP CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCCN2CC2CCC2)CC1 ZINC000948647938 705423189 /nfs/dbraw/zinc/42/31/89/705423189.db2.gz NVOHCLOYYVCHBW-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000998216411 705538552 /nfs/dbraw/zinc/53/85/52/705538552.db2.gz HSKHFZHLULZJLB-MRXNPFEDSA-N 2 1 348.466 1.891 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000998216656 705538876 /nfs/dbraw/zinc/53/88/76/705538876.db2.gz JNXRMZQJJYEQIU-MSOLQXFVSA-N 2 1 337.508 1.583 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CC(C)(C)CO1)[NH+](C)C ZINC001032611548 705579711 /nfs/dbraw/zinc/57/97/11/705579711.db2.gz NJWLGCKMTPYMND-LUKYLMHMSA-N 2 1 337.508 1.673 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CC(C)(C)CO1)[NH+](C)C ZINC001032611548 705579713 /nfs/dbraw/zinc/57/97/13/705579713.db2.gz NJWLGCKMTPYMND-LUKYLMHMSA-N 2 1 337.508 1.673 20 0 EDADMP CC(C)c1nnc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC000998269379 705652174 /nfs/dbraw/zinc/65/21/74/705652174.db2.gz NQFPKAJITKEBNW-UHFFFAOYSA-N 2 1 349.479 1.617 20 0 EDADMP COc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000998273387 705654000 /nfs/dbraw/zinc/65/40/00/705654000.db2.gz PFFIEZAOCVAUAM-QGZVFWFLSA-N 2 1 346.475 1.370 20 0 EDADMP Cc1nc(CCN2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CCC[C@H]2C)cs1 ZINC001032627435 705730393 /nfs/dbraw/zinc/73/03/93/705730393.db2.gz WASMLMMLHPOEQK-COXVUDFISA-N 2 1 348.516 1.763 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2cccc(F)c2)C1 ZINC001032627942 705739256 /nfs/dbraw/zinc/73/92/56/705739256.db2.gz NBXILAUVKJPCJY-JLSDUUJJSA-N 2 1 331.435 1.953 20 0 EDADMP CC(C)n1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000998536482 705970279 /nfs/dbraw/zinc/97/02/79/705970279.db2.gz VVGHYPWUYFJUBF-JCYILVPMSA-N 2 1 333.480 1.637 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1C ZINC000998718550 706150230 /nfs/dbraw/zinc/15/02/30/706150230.db2.gz CJVAKHCJDNBKHA-GJZGRUSLSA-N 2 1 348.495 1.113 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1C ZINC000998718550 706150233 /nfs/dbraw/zinc/15/02/33/706150233.db2.gz CJVAKHCJDNBKHA-GJZGRUSLSA-N 2 1 348.495 1.113 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000998728650 706159241 /nfs/dbraw/zinc/15/92/41/706159241.db2.gz CZUJBAICCKGCPA-ZBFHGGJFSA-N 2 1 348.495 1.208 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000998728650 706159244 /nfs/dbraw/zinc/15/92/44/706159244.db2.gz CZUJBAICCKGCPA-ZBFHGGJFSA-N 2 1 348.495 1.208 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC000998730773 706163453 /nfs/dbraw/zinc/16/34/53/706163453.db2.gz KTFPLASYYXSFJA-GJZGRUSLSA-N 2 1 339.871 1.211 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C1CC([NH2+]CCF)C1 ZINC000998898860 706326636 /nfs/dbraw/zinc/32/66/36/706326636.db2.gz NJBJODVIMMSVIQ-AVVWSFFYSA-N 2 1 327.444 1.178 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)[nH]1 ZINC000998901294 706337819 /nfs/dbraw/zinc/33/78/19/706337819.db2.gz MBGHBLWYYAFZSO-PCKAHOCUSA-N 2 1 348.495 1.455 20 0 EDADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC000998988556 706420578 /nfs/dbraw/zinc/42/05/78/706420578.db2.gz ULZFABBZCRSYCT-JYPHPWERSA-N 2 1 345.487 1.793 20 0 EDADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC000998988556 706420582 /nfs/dbraw/zinc/42/05/82/706420582.db2.gz ULZFABBZCRSYCT-JYPHPWERSA-N 2 1 345.487 1.793 20 0 EDADMP C[C@H]([NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1)c1csnn1 ZINC000999050015 706470594 /nfs/dbraw/zinc/47/05/94/706470594.db2.gz HWMQBHWZKDTVDN-HSBZDZAISA-N 2 1 349.504 1.807 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000999144744 706558786 /nfs/dbraw/zinc/55/87/86/706558786.db2.gz NIWVFXNIMPMPOO-WBVHZDCISA-N 2 1 333.480 1.374 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999146836 706560484 /nfs/dbraw/zinc/56/04/84/706560484.db2.gz YOGFLAPFHJLDMS-DOTOQJQBSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999146836 706560486 /nfs/dbraw/zinc/56/04/86/706560486.db2.gz YOGFLAPFHJLDMS-DOTOQJQBSA-N 2 1 334.464 1.936 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)c1ncccn1 ZINC000999354774 706843918 /nfs/dbraw/zinc/84/39/18/706843918.db2.gz RXSZELQCEAATCF-HUUCEWRRSA-N 2 1 331.464 1.603 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000999352936 706866317 /nfs/dbraw/zinc/86/63/17/706866317.db2.gz LEFBAKLOKKKCEM-SJORKVTESA-N 2 1 333.480 1.194 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000999373185 706868058 /nfs/dbraw/zinc/86/80/58/706868058.db2.gz GIVKQMHHDFCLJO-INIZCTEOSA-N 2 1 333.480 1.468 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)c(C)o1 ZINC000999378258 706872651 /nfs/dbraw/zinc/87/26/51/706872651.db2.gz XUSUUHVJVHRFDT-NVXWUHKLSA-N 2 1 334.464 1.712 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999399187 706893806 /nfs/dbraw/zinc/89/38/06/706893806.db2.gz FNWLXXBJYIXXQS-JKSUJKDBSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999399187 706893809 /nfs/dbraw/zinc/89/38/09/706893809.db2.gz FNWLXXBJYIXXQS-JKSUJKDBSA-N 2 1 334.464 1.938 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999404134 706913188 /nfs/dbraw/zinc/91/31/88/706913188.db2.gz ZESLZABSMWXHOI-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999404713 706913710 /nfs/dbraw/zinc/91/37/10/706913710.db2.gz ZHSBVHWQXGPQQC-NNGSBXSVSA-N 2 1 330.476 1.811 20 0 EDADMP CCc1cc(NC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC001060879922 706991156 /nfs/dbraw/zinc/99/11/56/706991156.db2.gz QLDWGXFIVXYYHQ-LSDHHAIUSA-N 2 1 331.464 1.560 20 0 EDADMP CCc1cc(NC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC001060879922 706991160 /nfs/dbraw/zinc/99/11/60/706991160.db2.gz QLDWGXFIVXYYHQ-LSDHHAIUSA-N 2 1 331.464 1.560 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999506223 707003604 /nfs/dbraw/zinc/00/36/04/707003604.db2.gz PDJNAGFXKGQFEY-LEOMRAHMSA-N 2 1 347.507 1.762 20 0 EDADMP Cc1nnsc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999507871 707005281 /nfs/dbraw/zinc/00/52/81/707005281.db2.gz FRODVZWNGMTIAL-KBPBESRZSA-N 2 1 337.493 1.411 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c(C)o1 ZINC000999508285 707005872 /nfs/dbraw/zinc/00/58/72/707005872.db2.gz GWXDNLPKASEKGU-RDJZCZTQSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c(C)o1 ZINC000999508285 707005876 /nfs/dbraw/zinc/00/58/76/707005876.db2.gz GWXDNLPKASEKGU-RDJZCZTQSA-N 2 1 334.464 1.856 20 0 EDADMP C[C@@H]([NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1)c1ncccn1 ZINC000999509974 707008396 /nfs/dbraw/zinc/00/83/96/707008396.db2.gz SVGGBYVCKYIXNU-ODIFPOPNSA-N 2 1 345.491 1.849 20 0 EDADMP Cc1nc(NC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC001060880113 707023698 /nfs/dbraw/zinc/02/36/98/707023698.db2.gz VUQKXDJGIJFLHW-CVEARBPZSA-N 2 1 331.464 1.614 20 0 EDADMP Cc1nc(NC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC001060880113 707023702 /nfs/dbraw/zinc/02/37/02/707023702.db2.gz VUQKXDJGIJFLHW-CVEARBPZSA-N 2 1 331.464 1.614 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000999696995 707222372 /nfs/dbraw/zinc/22/23/72/707222372.db2.gz HZXCNVLALGJQOH-UHFFFAOYSA-N 2 1 344.459 1.727 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC000999714411 707251939 /nfs/dbraw/zinc/25/19/39/707251939.db2.gz PHKBOENWIUJQAL-MRXNPFEDSA-N 2 1 343.431 1.376 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033265869 707291241 /nfs/dbraw/zinc/29/12/41/707291241.db2.gz KOKOFZRZZVTVEE-SFHVURJKSA-N 2 1 342.443 1.417 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033265869 707291247 /nfs/dbraw/zinc/29/12/47/707291247.db2.gz KOKOFZRZZVTVEE-SFHVURJKSA-N 2 1 342.443 1.417 20 0 EDADMP Cc1nsc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999837556 707408523 /nfs/dbraw/zinc/40/85/23/707408523.db2.gz PMFMTXBFOMIJJP-NFOMZHRRSA-N 2 1 336.505 1.791 20 0 EDADMP Cc1ncsc1CC[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000999837908 707409181 /nfs/dbraw/zinc/40/91/81/707409181.db2.gz SLZPADYYOAIYPJ-UHFFFAOYSA-N 2 1 347.488 1.778 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001033319409 707497907 /nfs/dbraw/zinc/49/79/07/707497907.db2.gz PUCKQPLMWABXHC-SJORKVTESA-N 2 1 337.508 1.963 20 0 EDADMP CCn1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)n1 ZINC000999876269 707523488 /nfs/dbraw/zinc/52/34/88/707523488.db2.gz KFHQICQHTZMQRV-PREGVCBESA-N 2 1 348.495 1.251 20 0 EDADMP CCn1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3CC)C2)n1 ZINC000999876269 707523490 /nfs/dbraw/zinc/52/34/90/707523490.db2.gz KFHQICQHTZMQRV-PREGVCBESA-N 2 1 348.495 1.251 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)o2)C1 ZINC000999876614 707524508 /nfs/dbraw/zinc/52/45/08/707524508.db2.gz PLASBTFJIUZJNC-UYSNPLJNSA-N 2 1 334.464 1.936 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)o2)C1 ZINC000999876614 707524510 /nfs/dbraw/zinc/52/45/10/707524510.db2.gz PLASBTFJIUZJNC-UYSNPLJNSA-N 2 1 334.464 1.936 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3CC)C2)o1 ZINC000999876785 707525357 /nfs/dbraw/zinc/52/53/57/707525357.db2.gz SBTOZGUFLPETET-NRXISQOPSA-N 2 1 349.479 1.585 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)o1 ZINC000999876785 707525360 /nfs/dbraw/zinc/52/53/60/707525360.db2.gz SBTOZGUFLPETET-NRXISQOPSA-N 2 1 349.479 1.585 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCOCC2)C1 ZINC001032731716 707734230 /nfs/dbraw/zinc/73/42/30/707734230.db2.gz PTXABDSKLIOLJA-SQNIBIBYSA-N 2 1 335.492 1.430 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCOCC2)C1 ZINC001032731716 707734233 /nfs/dbraw/zinc/73/42/33/707734233.db2.gz PTXABDSKLIOLJA-SQNIBIBYSA-N 2 1 335.492 1.430 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCOCC2)C1 ZINC001032731716 707734237 /nfs/dbraw/zinc/73/42/37/707734237.db2.gz PTXABDSKLIOLJA-SQNIBIBYSA-N 2 1 335.492 1.430 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(F)(F)C2)C1 ZINC001032732133 707736634 /nfs/dbraw/zinc/73/66/34/707736634.db2.gz XCRSWQBIFASOMY-SNPRPXQTSA-N 2 1 327.419 1.659 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(F)(F)C2)C1 ZINC001032732133 707736637 /nfs/dbraw/zinc/73/66/37/707736637.db2.gz XCRSWQBIFASOMY-SNPRPXQTSA-N 2 1 327.419 1.659 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(F)(F)C2)C1 ZINC001032732133 707736640 /nfs/dbraw/zinc/73/66/40/707736640.db2.gz XCRSWQBIFASOMY-SNPRPXQTSA-N 2 1 327.419 1.659 20 0 EDADMP CC1(C)CO[C@H](C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001032733634 707741680 /nfs/dbraw/zinc/74/16/80/707741680.db2.gz DUGDNEUNHZEWKO-JYJNAYRXSA-N 2 1 333.476 1.182 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033389593 707760406 /nfs/dbraw/zinc/76/04/06/707760406.db2.gz DDAKHZZGYAHUIW-GOSISDBHSA-N 2 1 330.476 1.765 20 0 EDADMP C[C@H]([NH2+]Cc1ccon1)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004977815 707814441 /nfs/dbraw/zinc/81/44/41/707814441.db2.gz JZIHWRMPVYWLEL-HOCLYGCPSA-N 2 1 332.448 1.630 20 0 EDADMP Cc1csc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001000193800 707830141 /nfs/dbraw/zinc/83/01/41/707830141.db2.gz SEEQRBGTPYXZTJ-UKRRQHHQSA-N 2 1 336.505 1.874 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1)OC ZINC001033427109 707850138 /nfs/dbraw/zinc/85/01/38/707850138.db2.gz XVBPAPDPVYDTKL-HOTGVXAUSA-N 2 1 325.497 1.676 20 0 EDADMP CC[C@@H](C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1)OC ZINC001033427109 707850144 /nfs/dbraw/zinc/85/01/44/707850144.db2.gz XVBPAPDPVYDTKL-HOTGVXAUSA-N 2 1 325.497 1.676 20 0 EDADMP CC[C@@H](C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1)OC ZINC001033427109 707850149 /nfs/dbraw/zinc/85/01/49/707850149.db2.gz XVBPAPDPVYDTKL-HOTGVXAUSA-N 2 1 325.497 1.676 20 0 EDADMP CCn1ncc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)n1 ZINC001004990317 707851567 /nfs/dbraw/zinc/85/15/67/707851567.db2.gz HTMCHFSNZSHQOC-RDJZCZTQSA-N 2 1 348.495 1.253 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033472474 707960643 /nfs/dbraw/zinc/96/06/43/707960643.db2.gz WNSDFAFOPBSEJZ-MSOLQXFVSA-N 2 1 347.507 1.679 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033472474 707960645 /nfs/dbraw/zinc/96/06/45/707960645.db2.gz WNSDFAFOPBSEJZ-MSOLQXFVSA-N 2 1 347.507 1.679 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033472474 707960647 /nfs/dbraw/zinc/96/06/47/707960647.db2.gz WNSDFAFOPBSEJZ-MSOLQXFVSA-N 2 1 347.507 1.679 20 0 EDADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033505308 707973835 /nfs/dbraw/zinc/97/38/35/707973835.db2.gz QFAKHGDNPPYXKR-IEBWSBKVSA-N 2 1 345.487 1.931 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)co1 ZINC001000540173 708041911 /nfs/dbraw/zinc/04/19/11/708041911.db2.gz DYUUVSVXQLBQOE-MRXNPFEDSA-N 2 1 334.464 1.796 20 0 EDADMP CCc1nc(NC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc(C)[nH+]1 ZINC001060992334 708110017 /nfs/dbraw/zinc/11/00/17/708110017.db2.gz RWVVHNBCVLZZKB-HOCLYGCPSA-N 2 1 345.491 1.950 20 0 EDADMP CCc1nc(NC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)cc(C)[nH+]1 ZINC001060992334 708110019 /nfs/dbraw/zinc/11/00/19/708110019.db2.gz RWVVHNBCVLZZKB-HOCLYGCPSA-N 2 1 345.491 1.950 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033546854 708175950 /nfs/dbraw/zinc/17/59/50/708175950.db2.gz GZLMRBIMTALYNS-NVXWUHKLSA-N 2 1 325.497 1.674 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033579994 708260000 /nfs/dbraw/zinc/26/00/00/708260000.db2.gz CCGADRPXIWZQJE-WMZOPIPTSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001033579994 708260003 /nfs/dbraw/zinc/26/00/03/708260003.db2.gz CCGADRPXIWZQJE-WMZOPIPTSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033579994 708260006 /nfs/dbraw/zinc/26/00/06/708260006.db2.gz CCGADRPXIWZQJE-WMZOPIPTSA-N 2 1 330.476 1.765 20 0 EDADMP COc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582935 708267008 /nfs/dbraw/zinc/26/70/08/708267008.db2.gz ROPDLGKQXYRMLW-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582935 708267010 /nfs/dbraw/zinc/26/70/10/708267010.db2.gz ROPDLGKQXYRMLW-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033582935 708267011 /nfs/dbraw/zinc/26/70/11/708267011.db2.gz ROPDLGKQXYRMLW-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033582935 708267013 /nfs/dbraw/zinc/26/70/13/708267013.db2.gz ROPDLGKQXYRMLW-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033583329 708267484 /nfs/dbraw/zinc/26/74/84/708267484.db2.gz SYZNPZUGBHMBCQ-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033583329 708267487 /nfs/dbraw/zinc/26/74/87/708267487.db2.gz SYZNPZUGBHMBCQ-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033583329 708267489 /nfs/dbraw/zinc/26/74/89/708267489.db2.gz SYZNPZUGBHMBCQ-CABCVRRESA-N 2 1 336.505 1.826 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC001033591324 708288912 /nfs/dbraw/zinc/28/89/12/708288912.db2.gz AOALIKDZWPIYHC-GOSISDBHSA-N 2 1 349.519 1.822 20 0 EDADMP Cc1nonc1C[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001795492 708310023 /nfs/dbraw/zinc/31/00/23/708310023.db2.gz UUDJDRTVWBRBRD-UHFFFAOYSA-N 2 1 335.452 1.048 20 0 EDADMP C[C@@H](c1ncccn1)[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001795992 708310506 /nfs/dbraw/zinc/31/05/06/708310506.db2.gz ZIPRSRFIVSIARM-HNNXBMFYSA-N 2 1 345.491 1.708 20 0 EDADMP Cc1ncoc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001824086 708326229 /nfs/dbraw/zinc/32/62/29/708326229.db2.gz BGPGLCHOXPGBMG-XJKSGUPXSA-N 2 1 334.464 1.509 20 0 EDADMP CCCc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001033664495 708446465 /nfs/dbraw/zinc/44/64/65/708446465.db2.gz HGHTYFUTUFKUMU-JKSUJKDBSA-N 2 1 348.491 1.920 20 0 EDADMP CCCc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001033664495 708446467 /nfs/dbraw/zinc/44/64/67/708446467.db2.gz HGHTYFUTUFKUMU-JKSUJKDBSA-N 2 1 348.491 1.920 20 0 EDADMP CCCc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001033664495 708446469 /nfs/dbraw/zinc/44/64/69/708446469.db2.gz HGHTYFUTUFKUMU-JKSUJKDBSA-N 2 1 348.491 1.920 20 0 EDADMP CCCc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001033664495 708446471 /nfs/dbraw/zinc/44/64/71/708446471.db2.gz HGHTYFUTUFKUMU-JKSUJKDBSA-N 2 1 348.491 1.920 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001033666791 708452297 /nfs/dbraw/zinc/45/22/97/708452297.db2.gz ZJZDOKOVXSFXEY-IRXDYDNUSA-N 2 1 331.460 1.680 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033666791 708452300 /nfs/dbraw/zinc/45/23/00/708452300.db2.gz ZJZDOKOVXSFXEY-IRXDYDNUSA-N 2 1 331.460 1.680 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033666791 708452302 /nfs/dbraw/zinc/45/23/02/708452302.db2.gz ZJZDOKOVXSFXEY-IRXDYDNUSA-N 2 1 331.460 1.680 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001033671861 708462770 /nfs/dbraw/zinc/46/27/70/708462770.db2.gz KMBPYTOUOXTQMU-IAGOWNOFSA-N 2 1 337.508 1.676 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001033671861 708462773 /nfs/dbraw/zinc/46/27/73/708462773.db2.gz KMBPYTOUOXTQMU-IAGOWNOFSA-N 2 1 337.508 1.676 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001033671861 708462777 /nfs/dbraw/zinc/46/27/77/708462777.db2.gz KMBPYTOUOXTQMU-IAGOWNOFSA-N 2 1 337.508 1.676 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001033671861 708462778 /nfs/dbraw/zinc/46/27/78/708462778.db2.gz KMBPYTOUOXTQMU-IAGOWNOFSA-N 2 1 337.508 1.676 20 0 EDADMP Cc1ccc(OCC[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001033660025 708472385 /nfs/dbraw/zinc/47/23/85/708472385.db2.gz GQAVLJWHJJIPDN-ROUUACIJSA-N 2 1 345.487 1.858 20 0 EDADMP Cc1ccc(OCC[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033660025 708472388 /nfs/dbraw/zinc/47/23/88/708472388.db2.gz GQAVLJWHJJIPDN-ROUUACIJSA-N 2 1 345.487 1.858 20 0 EDADMP Cc1ccc(OCC[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033660025 708472389 /nfs/dbraw/zinc/47/23/89/708472389.db2.gz GQAVLJWHJJIPDN-ROUUACIJSA-N 2 1 345.487 1.858 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033776395 708701618 /nfs/dbraw/zinc/70/16/18/708701618.db2.gz PLLPUGHOWPQFQC-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033776395 708701620 /nfs/dbraw/zinc/70/16/20/708701620.db2.gz PLLPUGHOWPQFQC-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033776395 708701622 /nfs/dbraw/zinc/70/16/22/708701622.db2.gz PLLPUGHOWPQFQC-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000921884235 708787169 /nfs/dbraw/zinc/78/71/69/708787169.db2.gz KDUOVFLCCSVAEE-FHLIZLRMSA-N 2 1 346.475 1.145 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000921884235 708787171 /nfs/dbraw/zinc/78/71/71/708787171.db2.gz KDUOVFLCCSVAEE-FHLIZLRMSA-N 2 1 346.475 1.145 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000921884235 708787175 /nfs/dbraw/zinc/78/71/75/708787175.db2.gz KDUOVFLCCSVAEE-FHLIZLRMSA-N 2 1 346.475 1.145 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001033837303 708866763 /nfs/dbraw/zinc/86/67/63/708866763.db2.gz GXGMKDGTERECFC-OWCLPIDISA-N 2 1 334.464 1.746 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001033837303 708866766 /nfs/dbraw/zinc/86/67/66/708866766.db2.gz GXGMKDGTERECFC-OWCLPIDISA-N 2 1 334.464 1.746 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001033837303 708866768 /nfs/dbraw/zinc/86/67/68/708866768.db2.gz GXGMKDGTERECFC-OWCLPIDISA-N 2 1 334.464 1.746 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001033837303 708866770 /nfs/dbraw/zinc/86/67/70/708866770.db2.gz GXGMKDGTERECFC-OWCLPIDISA-N 2 1 334.464 1.746 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033878296 708948365 /nfs/dbraw/zinc/94/83/65/708948365.db2.gz IYCBBJNWYCHOIO-MRXNPFEDSA-N 2 1 330.432 1.562 20 0 EDADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033897614 709016932 /nfs/dbraw/zinc/01/69/32/709016932.db2.gz MNWQFBCRNPNUNJ-CVEARBPZSA-N 2 1 343.431 1.135 20 0 EDADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033897614 709016937 /nfs/dbraw/zinc/01/69/37/709016937.db2.gz MNWQFBCRNPNUNJ-CVEARBPZSA-N 2 1 343.431 1.135 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033904012 709030818 /nfs/dbraw/zinc/03/08/18/709030818.db2.gz FMZMOZLIQKJSFD-NNVNDSJASA-N 2 1 347.503 1.573 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033904012 709030820 /nfs/dbraw/zinc/03/08/20/709030820.db2.gz FMZMOZLIQKJSFD-NNVNDSJASA-N 2 1 347.503 1.573 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033904012 709030824 /nfs/dbraw/zinc/03/08/24/709030824.db2.gz FMZMOZLIQKJSFD-NNVNDSJASA-N 2 1 347.503 1.573 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001002523551 709078222 /nfs/dbraw/zinc/07/82/22/709078222.db2.gz OUPSEFNSFDFTNS-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001002523551 709078223 /nfs/dbraw/zinc/07/82/23/709078223.db2.gz OUPSEFNSFDFTNS-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033930776 709080817 /nfs/dbraw/zinc/08/08/17/709080817.db2.gz ANHUWQISJMZOTF-SJORKVTESA-N 2 1 325.497 1.819 20 0 EDADMP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033930776 709080819 /nfs/dbraw/zinc/08/08/19/709080819.db2.gz ANHUWQISJMZOTF-SJORKVTESA-N 2 1 325.497 1.819 20 0 EDADMP CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033930776 709080820 /nfs/dbraw/zinc/08/08/20/709080820.db2.gz ANHUWQISJMZOTF-SJORKVTESA-N 2 1 325.497 1.819 20 0 EDADMP CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033930776 709080822 /nfs/dbraw/zinc/08/08/22/709080822.db2.gz ANHUWQISJMZOTF-SJORKVTESA-N 2 1 325.497 1.819 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033941814 709149004 /nfs/dbraw/zinc/14/90/04/709149004.db2.gz SFLZVMDRSYEOST-SFHVURJKSA-N 2 1 348.466 1.985 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033941814 709149005 /nfs/dbraw/zinc/14/90/05/709149005.db2.gz SFLZVMDRSYEOST-SFHVURJKSA-N 2 1 348.466 1.985 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccnc2OC)C1 ZINC001034041389 709289837 /nfs/dbraw/zinc/28/98/37/709289837.db2.gz CUJPJWXRJCDAOQ-IAGOWNOFSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cccnc2OC)C1 ZINC001034041389 709289838 /nfs/dbraw/zinc/28/98/38/709289838.db2.gz CUJPJWXRJCDAOQ-IAGOWNOFSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cccnc2OC)C1 ZINC001034041389 709289840 /nfs/dbraw/zinc/28/98/40/709289840.db2.gz CUJPJWXRJCDAOQ-IAGOWNOFSA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cccnc2OC)C1 ZINC001034041389 709289841 /nfs/dbraw/zinc/28/98/41/709289841.db2.gz CUJPJWXRJCDAOQ-IAGOWNOFSA-N 2 1 346.475 1.465 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nn1C ZINC001002852378 709462311 /nfs/dbraw/zinc/46/23/11/709462311.db2.gz OTONZDCJQGZAKD-RHSMWYFYSA-N 2 1 333.480 1.149 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nn1C ZINC001002852378 709462312 /nfs/dbraw/zinc/46/23/12/709462312.db2.gz OTONZDCJQGZAKD-RHSMWYFYSA-N 2 1 333.480 1.149 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3cnccn3)CC2)CC[N@@H+]1C ZINC001002858906 709466705 /nfs/dbraw/zinc/46/67/05/709466705.db2.gz INRWHWKLKNOHIV-QILLFSRXSA-N 2 1 345.491 1.849 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3cnccn3)CC2)CC[N@H+]1C ZINC001002858906 709466707 /nfs/dbraw/zinc/46/67/07/709466707.db2.gz INRWHWKLKNOHIV-QILLFSRXSA-N 2 1 345.491 1.849 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001002954637 709655242 /nfs/dbraw/zinc/65/52/42/709655242.db2.gz HDUZIXKDORXSDW-KRWDZBQOSA-N 2 1 333.480 1.375 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001002954637 709655246 /nfs/dbraw/zinc/65/52/46/709655246.db2.gz HDUZIXKDORXSDW-KRWDZBQOSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](C[C@H]2CCCOC2)C1 ZINC001034309156 709749842 /nfs/dbraw/zinc/74/98/42/709749842.db2.gz ITLQOVWUOYHDHI-SJORKVTESA-N 2 1 334.464 1.589 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001034309156 709749845 /nfs/dbraw/zinc/74/98/45/709749845.db2.gz ITLQOVWUOYHDHI-SJORKVTESA-N 2 1 334.464 1.589 20 0 EDADMP O=C(NC1CC[NH+](CCCF)CC1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001003009640 709795348 /nfs/dbraw/zinc/79/53/48/709795348.db2.gz YSURWOSJDYGQLZ-KRWDZBQOSA-N 2 1 341.471 1.570 20 0 EDADMP O=C(N[C@H]1CCCC[N@H+](CCO)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001034361743 709876634 /nfs/dbraw/zinc/87/66/34/709876634.db2.gz RKOXFZDQKCBSLM-WMZOPIPTSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(N[C@H]1CCCC[NH+](CCO)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001034361743 709876638 /nfs/dbraw/zinc/87/66/38/709876638.db2.gz RKOXFZDQKCBSLM-WMZOPIPTSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(N[C@H]1CCCC[NH+](CCO)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001034361743 709876643 /nfs/dbraw/zinc/87/66/43/709876643.db2.gz RKOXFZDQKCBSLM-WMZOPIPTSA-N 2 1 337.508 1.747 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001003144823 710041157 /nfs/dbraw/zinc/04/11/57/710041157.db2.gz JXNSCHSTUMSKPW-SJLPKXTDSA-N 2 1 345.491 1.518 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001003144823 710041161 /nfs/dbraw/zinc/04/11/61/710041161.db2.gz JXNSCHSTUMSKPW-SJLPKXTDSA-N 2 1 345.491 1.518 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001003158946 710067264 /nfs/dbraw/zinc/06/72/64/710067264.db2.gz KKXFMUPDXGAYKU-SFHVURJKSA-N 2 1 347.507 1.565 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)nn1C ZINC001034490389 710109085 /nfs/dbraw/zinc/10/90/85/710109085.db2.gz LAEVJJBIZHHZPD-IRXDYDNUSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)nn1C ZINC001034490389 710109090 /nfs/dbraw/zinc/10/90/90/710109090.db2.gz LAEVJJBIZHHZPD-IRXDYDNUSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1C ZINC001034490389 710109093 /nfs/dbraw/zinc/10/90/93/710109093.db2.gz LAEVJJBIZHHZPD-IRXDYDNUSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1C ZINC001034490389 710109095 /nfs/dbraw/zinc/10/90/95/710109095.db2.gz LAEVJJBIZHHZPD-IRXDYDNUSA-N 2 1 347.507 1.541 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@@H+](CCC2CCOCC2)C1 ZINC001034528266 710182557 /nfs/dbraw/zinc/18/25/57/710182557.db2.gz LFUHUTWMIIFJNM-GOSISDBHSA-N 2 1 337.508 1.870 20 0 EDADMP CCc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC001034607070 710270259 /nfs/dbraw/zinc/27/02/59/710270259.db2.gz KELBNMXVFLZXRZ-AJNGGQMLSA-N 2 1 348.495 1.539 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2C)CC1 ZINC001034658263 710342759 /nfs/dbraw/zinc/34/27/59/710342759.db2.gz CWHGLQUPMMKWRP-BZUAXINKSA-N 2 1 348.495 1.207 20 0 EDADMP COc1nccc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC001003624957 710454321 /nfs/dbraw/zinc/45/43/21/710454321.db2.gz YPJPNQXYNKEOIQ-AWEZNQCLSA-N 2 1 347.463 1.050 20 0 EDADMP COc1nccc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001003624957 710454322 /nfs/dbraw/zinc/45/43/22/710454322.db2.gz YPJPNQXYNKEOIQ-AWEZNQCLSA-N 2 1 347.463 1.050 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003630696 710460000 /nfs/dbraw/zinc/46/00/00/710460000.db2.gz NAUYASAKCIXKBL-MLGOLLRUSA-N 2 1 334.464 1.570 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCOc2ccccc2)CC1 ZINC001003631179 710460433 /nfs/dbraw/zinc/46/04/33/710460433.db2.gz SIWAWLHGXAHEHK-VQIMIIECSA-N 2 1 345.487 1.844 20 0 EDADMP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c(C)n1 ZINC001003636124 710463009 /nfs/dbraw/zinc/46/30/09/710463009.db2.gz STQYNFLJWCZNHV-IFXJQAMLSA-N 2 1 344.503 1.977 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)[C@@H]1CCCc2[nH+]ccn21 ZINC001034661375 710592410 /nfs/dbraw/zinc/59/24/10/710592410.db2.gz NFPDDKOTXVKKTB-QAETUUGQSA-N 2 1 346.475 1.814 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnon3)CC2)C1 ZINC001034661874 710593090 /nfs/dbraw/zinc/59/30/90/710593090.db2.gz KIJCVEASWIJOJK-JYJNAYRXSA-N 2 1 349.479 1.565 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001034672684 710605686 /nfs/dbraw/zinc/60/56/86/710605686.db2.gz RGYCBLXCNUYUFN-JFIYKMOQSA-N 2 1 345.491 1.786 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CCN(Cc2cncn2C)CC1 ZINC001005593723 710639972 /nfs/dbraw/zinc/63/99/72/710639972.db2.gz TVWXNSRTRMTRMD-QGZVFWFLSA-N 2 1 333.480 1.327 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cncn2C)CC1 ZINC001005593723 710639976 /nfs/dbraw/zinc/63/99/76/710639976.db2.gz TVWXNSRTRMTRMD-QGZVFWFLSA-N 2 1 333.480 1.327 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccnc3)CC2)C1 ZINC001034733853 710914393 /nfs/dbraw/zinc/91/43/93/710914393.db2.gz FEANYGPMDJXYMJ-SZMVWBNQSA-N 2 1 330.476 1.940 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c(C)n1 ZINC001032967237 711026568 /nfs/dbraw/zinc/02/65/68/711026568.db2.gz HRFCQEVWPREKJF-ROUUACIJSA-N 2 1 330.476 1.825 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(C)n1 ZINC001032967237 711026572 /nfs/dbraw/zinc/02/65/72/711026572.db2.gz HRFCQEVWPREKJF-ROUUACIJSA-N 2 1 330.476 1.825 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)n1 ZINC001032967237 711026575 /nfs/dbraw/zinc/02/65/75/711026575.db2.gz HRFCQEVWPREKJF-ROUUACIJSA-N 2 1 330.476 1.825 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034790915 711103798 /nfs/dbraw/zinc/10/37/98/711103798.db2.gz BAOQSTPYHHCQER-JYJNAYRXSA-N 2 1 346.475 1.559 20 0 EDADMP COc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001034791921 711117543 /nfs/dbraw/zinc/11/75/43/711117543.db2.gz YJDCBAMDUVHFDC-BZUAXINKSA-N 2 1 346.475 1.559 20 0 EDADMP CC(C)n1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034792366 711119574 /nfs/dbraw/zinc/11/95/74/711119574.db2.gz HEYQXHQYMAFMQF-BRWVUGGUSA-N 2 1 347.507 1.933 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034793070 711121451 /nfs/dbraw/zinc/12/14/51/711121451.db2.gz QNLVQIAVIZGHKK-JYJNAYRXSA-N 2 1 348.495 1.075 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003968742 711145062 /nfs/dbraw/zinc/14/50/62/711145062.db2.gz TZKLKWOWQBTEBU-HNNXBMFYSA-N 2 1 333.480 1.151 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003977852 711150530 /nfs/dbraw/zinc/15/05/30/711150530.db2.gz YTAVICUJZOGXDI-LSDHHAIUSA-N 2 1 331.464 1.460 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003977852 711150534 /nfs/dbraw/zinc/15/05/34/711150534.db2.gz YTAVICUJZOGXDI-LSDHHAIUSA-N 2 1 331.464 1.460 20 0 EDADMP Cc1ncc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2)o1 ZINC001034810253 711170748 /nfs/dbraw/zinc/17/07/48/711170748.db2.gz CDDXITCULJIARW-SFHVURJKSA-N 2 1 342.443 1.983 20 0 EDADMP Cc1ncc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2)o1 ZINC001034810253 711170749 /nfs/dbraw/zinc/17/07/49/711170749.db2.gz CDDXITCULJIARW-SFHVURJKSA-N 2 1 342.443 1.983 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc2nonc2c1 ZINC001034885268 711289591 /nfs/dbraw/zinc/28/95/91/711289591.db2.gz RTVYCJNHSDPZIB-PBHICJAKSA-N 2 1 343.431 1.398 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(CO)ccc1F ZINC001034885548 711290330 /nfs/dbraw/zinc/29/03/30/711290330.db2.gz VYFPFNBGZZGZFD-SJLPKXTDSA-N 2 1 349.450 1.493 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnns1 ZINC001034955043 711421592 /nfs/dbraw/zinc/42/15/92/711421592.db2.gz ZBJHRRDHKYXPFR-UKRRQHHQSA-N 2 1 337.493 1.493 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1O ZINC000922388047 711429614 /nfs/dbraw/zinc/42/96/14/711429614.db2.gz NTHQVAGPIRKPQF-JZGRTCEGSA-N 2 1 334.460 1.970 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2csnn2)CC[N@@H+]1C ZINC001034940981 711445245 /nfs/dbraw/zinc/44/52/45/711445245.db2.gz JMCKSOYQSVXFQB-QLFBSQMISA-N 2 1 337.493 1.349 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2csnn2)CC[N@H+]1C ZINC001034940981 711445246 /nfs/dbraw/zinc/44/52/46/711445246.db2.gz JMCKSOYQSVXFQB-QLFBSQMISA-N 2 1 337.493 1.349 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123869 711852866 /nfs/dbraw/zinc/85/28/66/711852866.db2.gz SXRFURJYHUIAID-GXTWGEPZSA-N 2 1 325.478 1.337 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001004521568 711920553 /nfs/dbraw/zinc/92/05/53/711920553.db2.gz LQWRVJOBKDHJIM-MSOLQXFVSA-N 2 1 337.508 1.819 20 0 EDADMP CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001004521568 711920554 /nfs/dbraw/zinc/92/05/54/711920554.db2.gz LQWRVJOBKDHJIM-MSOLQXFVSA-N 2 1 337.508 1.819 20 0 EDADMP CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001004521568 711920555 /nfs/dbraw/zinc/92/05/55/711920555.db2.gz LQWRVJOBKDHJIM-MSOLQXFVSA-N 2 1 337.508 1.819 20 0 EDADMP CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001004521568 711920556 /nfs/dbraw/zinc/92/05/56/711920556.db2.gz LQWRVJOBKDHJIM-MSOLQXFVSA-N 2 1 337.508 1.819 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3Cc3cnon3)CC2)C1 ZINC001004616951 712076779 /nfs/dbraw/zinc/07/67/79/712076779.db2.gz NICLKFUQUPEJDO-DOTOQJQBSA-N 2 1 347.463 1.224 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3Cc3cnon3)CC2)C1 ZINC001004616951 712076781 /nfs/dbraw/zinc/07/67/81/712076781.db2.gz NICLKFUQUPEJDO-DOTOQJQBSA-N 2 1 347.463 1.224 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3Cc3cnon3)CC2)C1 ZINC001004616951 712076784 /nfs/dbraw/zinc/07/67/84/712076784.db2.gz NICLKFUQUPEJDO-DOTOQJQBSA-N 2 1 347.463 1.224 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004617485 712077512 /nfs/dbraw/zinc/07/75/12/712077512.db2.gz QITCGSZMHXXPAY-KRWDZBQOSA-N 2 1 334.464 1.277 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004617485 712077514 /nfs/dbraw/zinc/07/75/14/712077514.db2.gz QITCGSZMHXXPAY-KRWDZBQOSA-N 2 1 334.464 1.277 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CCC([C@@H]2CCC[N@H+]2Cc2ccon2)CC1 ZINC001004618380 712078775 /nfs/dbraw/zinc/07/87/75/712078775.db2.gz WBHLQEYIJOVYPD-SFHVURJKSA-N 2 1 346.475 1.973 20 0 EDADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C(C)(C)C ZINC000458399914 282113415 /nfs/dbraw/zinc/11/34/15/282113415.db2.gz GIKGQEKVPXWVJK-JKSUJKDBSA-N 2 1 342.528 1.499 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000126940423 282129088 /nfs/dbraw/zinc/12/90/88/282129088.db2.gz WSQPHEYOGVQWAB-MJGOQNOKSA-N 2 1 348.491 1.263 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000183967833 529799234 /nfs/dbraw/zinc/79/92/34/529799234.db2.gz GGJPXCXYONYVCG-ZWKOTPCHSA-N 2 1 346.475 1.645 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCCc3ccccc3CC2)C1=O ZINC000560074632 306260628 /nfs/dbraw/zinc/26/06/28/306260628.db2.gz GBFJZNHGBPVROQ-GOSISDBHSA-N 2 1 343.471 1.557 20 0 EDADMP CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000560549289 306274353 /nfs/dbraw/zinc/27/43/53/306274353.db2.gz XJMZXGTYHJONNQ-BRWVUGGUSA-N 2 1 343.537 1.511 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000561193823 306284305 /nfs/dbraw/zinc/28/43/05/306284305.db2.gz KOCMEAYSXLRHRX-BPQIPLTHSA-N 2 1 346.475 1.185 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000342993909 539773021 /nfs/dbraw/zinc/77/30/21/539773021.db2.gz UIDKOQNVRYKJFM-OWCLPIDISA-N 2 1 340.512 1.070 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000343015559 539776855 /nfs/dbraw/zinc/77/68/55/539776855.db2.gz POXYDHPHXUAXIY-JYJNAYRXSA-N 2 1 340.512 1.022 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000562638089 306303997 /nfs/dbraw/zinc/30/39/97/306303997.db2.gz KKGFGMDHTOPNAL-UHFFFAOYSA-N 2 1 347.507 1.440 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+]1CCOCC1 ZINC000562790108 306309119 /nfs/dbraw/zinc/30/91/19/306309119.db2.gz VXTXGWMOPKBTFN-BZUAXINKSA-N 2 1 326.485 1.031 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563083320 306317978 /nfs/dbraw/zinc/31/79/78/306317978.db2.gz HMACFPPOEUJUMO-VKJFTORMSA-N 2 1 331.460 1.533 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563083320 306317979 /nfs/dbraw/zinc/31/79/79/306317979.db2.gz HMACFPPOEUJUMO-VKJFTORMSA-N 2 1 331.460 1.533 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)[C@H]2C1 ZINC000347808656 283086276 /nfs/dbraw/zinc/08/62/76/283086276.db2.gz ILVWZCRFOORGSG-FHWLQOOXSA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)[C@H]2C1 ZINC000347808656 283086277 /nfs/dbraw/zinc/08/62/77/283086277.db2.gz ILVWZCRFOORGSG-FHWLQOOXSA-N 2 1 343.471 1.583 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)[C@H]2C1 ZINC000347808656 283086278 /nfs/dbraw/zinc/08/62/78/283086278.db2.gz ILVWZCRFOORGSG-FHWLQOOXSA-N 2 1 343.471 1.583 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000360796709 283182474 /nfs/dbraw/zinc/18/24/74/283182474.db2.gz HNKCYFZFYHJJCD-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000360796709 283182476 /nfs/dbraw/zinc/18/24/76/283182476.db2.gz HNKCYFZFYHJJCD-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000360796709 283182477 /nfs/dbraw/zinc/18/24/77/283182477.db2.gz HNKCYFZFYHJJCD-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000360796709 283182479 /nfs/dbraw/zinc/18/24/79/283182479.db2.gz HNKCYFZFYHJJCD-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000072974933 138212349 /nfs/dbraw/zinc/21/23/49/138212349.db2.gz SFTRLYWMFSJTBZ-JKSUJKDBSA-N 2 1 336.480 1.515 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000072974933 138212351 /nfs/dbraw/zinc/21/23/51/138212351.db2.gz SFTRLYWMFSJTBZ-JKSUJKDBSA-N 2 1 336.480 1.515 20 0 EDADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000072974933 138212353 /nfs/dbraw/zinc/21/23/53/138212353.db2.gz SFTRLYWMFSJTBZ-JKSUJKDBSA-N 2 1 336.480 1.515 20 0 EDADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000072974933 138212355 /nfs/dbraw/zinc/21/23/55/138212355.db2.gz SFTRLYWMFSJTBZ-JKSUJKDBSA-N 2 1 336.480 1.515 20 0 EDADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000079067950 138260116 /nfs/dbraw/zinc/26/01/16/138260116.db2.gz MYTDBOFLIMZGEP-INIZCTEOSA-N 2 1 326.485 1.272 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000079067950 138260117 /nfs/dbraw/zinc/26/01/17/138260117.db2.gz MYTDBOFLIMZGEP-INIZCTEOSA-N 2 1 326.485 1.272 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000080394671 138264211 /nfs/dbraw/zinc/26/42/11/138264211.db2.gz BPZQTUVPBHZYNE-IYBDPMFKSA-N 2 1 333.476 1.929 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000080394671 138264212 /nfs/dbraw/zinc/26/42/12/138264212.db2.gz BPZQTUVPBHZYNE-IYBDPMFKSA-N 2 1 333.476 1.929 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090522516 138279387 /nfs/dbraw/zinc/27/93/87/138279387.db2.gz MWVFMXBNZWHAFF-BZUAXINKSA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090522516 138279388 /nfs/dbraw/zinc/27/93/88/138279388.db2.gz MWVFMXBNZWHAFF-BZUAXINKSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000092588030 138289883 /nfs/dbraw/zinc/28/98/83/138289883.db2.gz VZRPGLAMLURBCP-JKSUJKDBSA-N 2 1 348.491 1.170 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000092588030 138289884 /nfs/dbraw/zinc/28/98/84/138289884.db2.gz VZRPGLAMLURBCP-JKSUJKDBSA-N 2 1 348.491 1.170 20 0 EDADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000092588030 138289885 /nfs/dbraw/zinc/28/98/85/138289885.db2.gz VZRPGLAMLURBCP-JKSUJKDBSA-N 2 1 348.491 1.170 20 0 EDADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000092588030 138289886 /nfs/dbraw/zinc/28/98/86/138289886.db2.gz VZRPGLAMLURBCP-JKSUJKDBSA-N 2 1 348.491 1.170 20 0 EDADMP CCC[N@@H+]1CCCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000092659675 138289979 /nfs/dbraw/zinc/28/99/79/138289979.db2.gz QDXCWGHIYIODKQ-UHFFFAOYSA-N 2 1 332.496 1.146 20 0 EDADMP CCC[N@H+]1CCCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000092659675 138289980 /nfs/dbraw/zinc/28/99/80/138289980.db2.gz QDXCWGHIYIODKQ-UHFFFAOYSA-N 2 1 332.496 1.146 20 0 EDADMP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000131793611 138366199 /nfs/dbraw/zinc/36/61/99/138366199.db2.gz YBPXKCOPQXITFM-QGZVFWFLSA-N 2 1 341.411 1.860 20 0 EDADMP COc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000131793611 138366201 /nfs/dbraw/zinc/36/62/01/138366201.db2.gz YBPXKCOPQXITFM-QGZVFWFLSA-N 2 1 341.411 1.860 20 0 EDADMP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000494833681 283255186 /nfs/dbraw/zinc/25/51/86/283255186.db2.gz FMBKKQBWVYQXAS-SFHVURJKSA-N 2 1 338.540 1.737 20 0 EDADMP CCC[C@@H]1CN(C(=O)NCCC[NH2+]C(C)C)CC[N@H+]1CCOC ZINC000563875526 306351018 /nfs/dbraw/zinc/35/10/18/306351018.db2.gz WKOFHKDTBUGCAZ-MRXNPFEDSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000563926755 306352528 /nfs/dbraw/zinc/35/25/28/306352528.db2.gz IRZYMWYQLNHSTE-LBPRGKRZSA-N 2 1 330.436 1.106 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000563926755 306352529 /nfs/dbraw/zinc/35/25/29/306352529.db2.gz IRZYMWYQLNHSTE-LBPRGKRZSA-N 2 1 330.436 1.106 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)N1CC[NH+](C)CC1 ZINC000171282835 138655907 /nfs/dbraw/zinc/65/59/07/138655907.db2.gz DJTDHBLADACCIR-INIZCTEOSA-N 2 1 336.524 1.393 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000413836361 304079750 /nfs/dbraw/zinc/07/97/50/304079750.db2.gz LQHRKOXGSWTWMX-VVLHAWIVSA-N 2 1 338.496 1.364 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000413836361 304079751 /nfs/dbraw/zinc/07/97/51/304079751.db2.gz LQHRKOXGSWTWMX-VVLHAWIVSA-N 2 1 338.496 1.364 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000413836361 304079752 /nfs/dbraw/zinc/07/97/52/304079752.db2.gz LQHRKOXGSWTWMX-VVLHAWIVSA-N 2 1 338.496 1.364 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000413836361 304079753 /nfs/dbraw/zinc/07/97/53/304079753.db2.gz LQHRKOXGSWTWMX-VVLHAWIVSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)NCC3CC3)CC2)C[C@H](C)O1 ZINC000177497158 237390051 /nfs/dbraw/zinc/39/00/51/237390051.db2.gz PVBMGQMITXJORU-IYBDPMFKSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@H+]1CC[C@@](O)(CN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959646 306371409 /nfs/dbraw/zinc/37/14/09/306371409.db2.gz GORPDHCVFKWKHQ-UYAOXDASSA-N 2 1 329.488 1.840 20 0 EDADMP C[NH+]1CC[C@@](O)(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959646 306371410 /nfs/dbraw/zinc/37/14/10/306371410.db2.gz GORPDHCVFKWKHQ-UYAOXDASSA-N 2 1 329.488 1.840 20 0 EDADMP C[NH+]1CC[C@@](O)(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959646 306371411 /nfs/dbraw/zinc/37/14/11/306371411.db2.gz GORPDHCVFKWKHQ-UYAOXDASSA-N 2 1 329.488 1.840 20 0 EDADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000566233789 306405224 /nfs/dbraw/zinc/40/52/24/306405224.db2.gz NJPSLMCLLVPHSN-ZWKOTPCHSA-N 2 1 330.428 1.263 20 0 EDADMP CC(C)C[C@H]([NH3+])CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000414703691 304130421 /nfs/dbraw/zinc/13/04/21/304130421.db2.gz VSNNNZHQTCQNLL-ZWKOTPCHSA-N 2 1 335.492 1.417 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364565343 284007145 /nfs/dbraw/zinc/00/71/45/284007145.db2.gz ZCTBNYPENAXVNJ-HKUYNNGSSA-N 2 1 329.444 1.135 20 0 EDADMP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC000415067043 304156636 /nfs/dbraw/zinc/15/66/36/304156636.db2.gz JXDIQSKIJGSUGQ-GDBMZVCRSA-N 2 1 339.480 1.298 20 0 EDADMP COCCOc1cc2c(cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)OCO2 ZINC000415127339 304161970 /nfs/dbraw/zinc/16/19/70/304161970.db2.gz MTSYFHCZRJMXKX-HIFRSBDPSA-N 2 1 336.432 1.857 20 0 EDADMP COCCOc1cc2c(cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)OCO2 ZINC000415127339 304161972 /nfs/dbraw/zinc/16/19/72/304161972.db2.gz MTSYFHCZRJMXKX-HIFRSBDPSA-N 2 1 336.432 1.857 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)COc3cccc(C)c3)C2)CC1 ZINC000107371649 204235665 /nfs/dbraw/zinc/23/56/65/204235665.db2.gz BSIKOWDRFAWPPT-OALUTQOASA-N 2 1 347.503 1.447 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000415155990 304166923 /nfs/dbraw/zinc/16/69/23/304166923.db2.gz WFPIXEQRXYRZEM-RHSMWYFYSA-N 2 1 346.475 1.533 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415159770 304168055 /nfs/dbraw/zinc/16/80/55/304168055.db2.gz GYTGDAJYYNXBLR-GOEBONIOSA-N 2 1 330.432 1.027 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000236805368 139031877 /nfs/dbraw/zinc/03/18/77/139031877.db2.gz NZEFPKVQRIGSJX-IAGOWNOFSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000236825685 139032716 /nfs/dbraw/zinc/03/27/16/139032716.db2.gz XERRDRZXRDJIGL-LJQANCHMSA-N 2 1 346.519 1.636 20 0 EDADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000237018354 139038264 /nfs/dbraw/zinc/03/82/64/139038264.db2.gz WHWURVPJTNNJPL-RDTXWAMCSA-N 2 1 346.475 1.315 20 0 EDADMP CN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237269403 139046106 /nfs/dbraw/zinc/04/61/06/139046106.db2.gz IHXNPCPVLXGADL-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000129658428 205206841 /nfs/dbraw/zinc/20/68/41/205206841.db2.gz YZKMYKAIMWWKMK-INIZCTEOSA-N 2 1 342.447 1.669 20 0 EDADMP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000237901665 139063250 /nfs/dbraw/zinc/06/32/50/139063250.db2.gz PADCBKPCGICDQW-MSOLQXFVSA-N 2 1 331.460 1.536 20 0 EDADMP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000237923209 139063929 /nfs/dbraw/zinc/06/39/29/139063929.db2.gz CDMQPYJTKCRZMX-GOSISDBHSA-N 2 1 331.460 1.490 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000111818950 220197813 /nfs/dbraw/zinc/19/78/13/220197813.db2.gz FUMPQCAELCWCNO-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000238088421 139068554 /nfs/dbraw/zinc/06/85/54/139068554.db2.gz AHFHMLWXQHACHF-IRXDYDNUSA-N 2 1 333.501 1.862 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)C1 ZINC000415290092 304186855 /nfs/dbraw/zinc/18/68/55/304186855.db2.gz BQDUMBPCUNTPLO-GDBMZVCRSA-N 2 1 344.459 1.417 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415370779 304206561 /nfs/dbraw/zinc/20/65/61/304206561.db2.gz FHYQMYLTNGHDKQ-CABCVRRESA-N 2 1 346.475 1.711 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000247573922 139152613 /nfs/dbraw/zinc/15/26/13/139152613.db2.gz XEGOLYOHBOKQQZ-CRAIPNDOSA-N 2 1 345.491 1.685 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247972058 139156467 /nfs/dbraw/zinc/15/64/67/139156467.db2.gz JSSVUQGICXASBI-NLWGTHIKSA-N 2 1 348.487 1.989 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247972058 139156468 /nfs/dbraw/zinc/15/64/68/139156468.db2.gz JSSVUQGICXASBI-NLWGTHIKSA-N 2 1 348.487 1.989 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@@H]12 ZINC000248645012 139169843 /nfs/dbraw/zinc/16/98/43/139169843.db2.gz SDODFKUBLLKYCB-TVFCKZIOSA-N 2 1 329.444 1.083 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@@H]12 ZINC000248645012 139169844 /nfs/dbraw/zinc/16/98/44/139169844.db2.gz SDODFKUBLLKYCB-TVFCKZIOSA-N 2 1 329.444 1.083 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000248732260 139173503 /nfs/dbraw/zinc/17/35/03/139173503.db2.gz LCFNJDSUBATKCP-GJZGRUSLSA-N 2 1 334.464 1.667 20 0 EDADMP CC[N@@H+](CCO)CCN[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000249027286 139183291 /nfs/dbraw/zinc/18/32/91/139183291.db2.gz RUKRCUGSQGITLX-XUVXKRRUSA-N 2 1 331.504 1.801 20 0 EDADMP CC[NH+](CCO)CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000249027286 139183292 /nfs/dbraw/zinc/18/32/92/139183292.db2.gz RUKRCUGSQGITLX-XUVXKRRUSA-N 2 1 331.504 1.801 20 0 EDADMP CC[NH+](CCO)CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249027286 139183293 /nfs/dbraw/zinc/18/32/93/139183293.db2.gz RUKRCUGSQGITLX-XUVXKRRUSA-N 2 1 331.504 1.801 20 0 EDADMP CCN(CCO)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000249027286 139183294 /nfs/dbraw/zinc/18/32/94/139183294.db2.gz RUKRCUGSQGITLX-XUVXKRRUSA-N 2 1 331.504 1.801 20 0 EDADMP CCN(CCO)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249027286 139183295 /nfs/dbraw/zinc/18/32/95/139183295.db2.gz RUKRCUGSQGITLX-XUVXKRRUSA-N 2 1 331.504 1.801 20 0 EDADMP CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261562860 139209014 /nfs/dbraw/zinc/20/90/14/139209014.db2.gz WPQGGLIAFIAHDA-GOSISDBHSA-N 2 1 330.476 1.015 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000261628062 139212574 /nfs/dbraw/zinc/21/25/74/139212574.db2.gz HBFHNGFLQCMUMM-AWEZNQCLSA-N 2 1 330.407 1.661 20 0 EDADMP CCC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CC[NH2+]CC1 ZINC000261638092 139213387 /nfs/dbraw/zinc/21/33/87/139213387.db2.gz DQLWBOSBYWGBFD-UHFFFAOYSA-N 2 1 339.505 1.901 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2nccn2-c2ccccc2)C1 ZINC000261638497 139213523 /nfs/dbraw/zinc/21/35/23/139213523.db2.gz AAYNLBWGOYJTCF-HNNXBMFYSA-N 2 1 327.432 1.159 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000261638497 139213524 /nfs/dbraw/zinc/21/35/24/139213524.db2.gz AAYNLBWGOYJTCF-HNNXBMFYSA-N 2 1 327.432 1.159 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000261676590 139216635 /nfs/dbraw/zinc/21/66/35/139216635.db2.gz HQECONNBUBFANL-ZDUSSCGKSA-N 2 1 329.366 1.992 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(O)cc(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261721903 139220568 /nfs/dbraw/zinc/22/05/68/139220568.db2.gz QVNRTPHBZRENRH-DYVFJYSZSA-N 2 1 335.423 1.612 20 0 EDADMP C[C@@H]1C[N@@H+](CCC2CCN(Cc3noc(C[NH3+])n3)CC2)C[C@H](C)O1 ZINC000261799412 139227021 /nfs/dbraw/zinc/22/70/21/139227021.db2.gz QUZFJICZMRMAHI-OKILXGFUSA-N 2 1 337.468 1.240 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(Cc3noc(C[NH3+])n3)CC2)C[C@H](C)O1 ZINC000261799412 139227022 /nfs/dbraw/zinc/22/70/22/139227022.db2.gz QUZFJICZMRMAHI-OKILXGFUSA-N 2 1 337.468 1.240 20 0 EDADMP C[N@@H+](CCN1CCN(C[C@]2(C)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000261899386 139235085 /nfs/dbraw/zinc/23/50/85/139235085.db2.gz VROSAVHTTKEOHR-HXUWFJFHSA-N 2 1 330.520 1.736 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261978077 139241330 /nfs/dbraw/zinc/24/13/30/139241330.db2.gz NWFJVLPBEOPSHG-CXAGYDPISA-N 2 1 343.406 1.412 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261991153 139242358 /nfs/dbraw/zinc/24/23/58/139242358.db2.gz SHZBYGNVQGNWCO-LBPRGKRZSA-N 2 1 333.461 1.425 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000262028615 139244957 /nfs/dbraw/zinc/24/49/57/139244957.db2.gz SDHZKTXVUHQXEK-CVEARBPZSA-N 2 1 329.444 1.558 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000262074436 139248754 /nfs/dbraw/zinc/24/87/54/139248754.db2.gz DBIKUPYKVPGSRZ-WCQYABFASA-N 2 1 327.222 1.054 20 0 EDADMP c1cn2c(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)c(C3CC3)nc2s1 ZINC000262179766 139257815 /nfs/dbraw/zinc/25/78/15/139257815.db2.gz WMEGVCDBJFUBHD-AWEZNQCLSA-N 2 1 331.489 1.753 20 0 EDADMP COc1ccc(CC[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000262247311 139263291 /nfs/dbraw/zinc/26/32/91/139263291.db2.gz PRZVVVUPRKARCP-PKOBYXMFSA-N 2 1 345.487 1.818 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2NCCO[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000262266167 139264960 /nfs/dbraw/zinc/26/49/60/139264960.db2.gz MPEJKPNCIHSLTP-RWQQGDIJSA-N 2 1 345.487 1.875 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000262266167 139264962 /nfs/dbraw/zinc/26/49/62/139264962.db2.gz MPEJKPNCIHSLTP-RWQQGDIJSA-N 2 1 345.487 1.875 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](CCOc2ccccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000262297537 139267719 /nfs/dbraw/zinc/26/77/19/139267719.db2.gz WZAVURFDPYURML-NVXWUHKLSA-N 2 1 349.450 1.785 20 0 EDADMP CN1CCN(Cc2cccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000262317020 139269349 /nfs/dbraw/zinc/26/93/49/139269349.db2.gz UTZWDHJWRAZTFH-IRXDYDNUSA-N 2 1 330.476 1.890 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NCC[C@H]1CCC[NH2+]1 ZINC000417014258 251133100 /nfs/dbraw/zinc/13/31/00/251133100.db2.gz CZAZCXPONKSADY-GOSISDBHSA-N 2 1 330.476 1.876 20 0 EDADMP CC[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000417023645 251136451 /nfs/dbraw/zinc/13/64/51/251136451.db2.gz WBYKLGIGLZQZFN-ROUUACIJSA-N 2 1 330.476 1.860 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416999316 251124729 /nfs/dbraw/zinc/12/47/29/251124729.db2.gz BYQODMFEARHSDZ-QZTJIDSGSA-N 2 1 328.460 1.438 20 0 EDADMP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000262352882 139272405 /nfs/dbraw/zinc/27/24/05/139272405.db2.gz JIJMDROMAHYKQP-ROUUACIJSA-N 2 1 331.460 1.536 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000417579525 251195935 /nfs/dbraw/zinc/19/59/35/251195935.db2.gz AUYLZPCCMCHSTI-GJZGRUSLSA-N 2 1 326.485 1.256 20 0 EDADMP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000262395494 139275936 /nfs/dbraw/zinc/27/59/36/139275936.db2.gz ZEYVFIQYKWWMJG-OKZBNKHCSA-N 2 1 331.460 1.473 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000417691430 251231538 /nfs/dbraw/zinc/23/15/38/251231538.db2.gz KENPPKRMGKLKFH-INIZCTEOSA-N 2 1 331.464 1.752 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@H]3CCCC[NH2+]C3)CC2)[nH+]1 ZINC000417708799 251237328 /nfs/dbraw/zinc/23/73/28/251237328.db2.gz ZGGHAJXDQFTGJT-INIZCTEOSA-N 2 1 331.464 1.800 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417736620 251249116 /nfs/dbraw/zinc/24/91/16/251249116.db2.gz VAWSINLLUPFYFW-IRXDYDNUSA-N 2 1 347.507 1.352 20 0 EDADMP C[C@@H]1CCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000417828516 251286010 /nfs/dbraw/zinc/28/60/10/251286010.db2.gz QHDYIKJPONPKMC-GDBMZVCRSA-N 2 1 336.455 1.884 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000417791919 251271363 /nfs/dbraw/zinc/27/13/63/251271363.db2.gz JWTOWKDSOSHDPP-RDJZCZTQSA-N 2 1 326.460 1.594 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000417791919 251271365 /nfs/dbraw/zinc/27/13/65/251271365.db2.gz JWTOWKDSOSHDPP-RDJZCZTQSA-N 2 1 326.460 1.594 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417813893 251280548 /nfs/dbraw/zinc/28/05/48/251280548.db2.gz AMTBHWDDTPBSHW-YSHGAJCASA-N 2 1 342.487 1.758 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000417822089 251285215 /nfs/dbraw/zinc/28/52/15/251285215.db2.gz JBWYMPSCTMGAMP-ZWKOTPCHSA-N 2 1 348.466 1.945 20 0 EDADMP CC(C)([NH3+])CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418078600 251320227 /nfs/dbraw/zinc/32/02/27/251320227.db2.gz OHTXIPMNDUUIJR-OAHLLOKOSA-N 2 1 336.505 1.641 20 0 EDADMP CC(C)([NH3+])CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418078600 251320230 /nfs/dbraw/zinc/32/02/30/251320230.db2.gz OHTXIPMNDUUIJR-OAHLLOKOSA-N 2 1 336.505 1.641 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC000418106146 251322654 /nfs/dbraw/zinc/32/26/54/251322654.db2.gz MQTCUSBPNLVASB-NCXUSEDFSA-N 2 1 342.487 1.887 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[C@@H]2CCC[NH2+]2)CCCO1 ZINC000418119453 251333035 /nfs/dbraw/zinc/33/30/35/251333035.db2.gz VAGKORWSUQSWPM-CVEARBPZSA-N 2 1 326.485 1.319 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418121360 251333581 /nfs/dbraw/zinc/33/35/81/251333581.db2.gz WQNZPSMCYRZNBZ-PMPSAXMXSA-N 2 1 326.485 1.399 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(CC[NH3+])CCO)cc1 ZINC000417850346 251296703 /nfs/dbraw/zinc/29/67/03/251296703.db2.gz DXPJXYHPJLSQNB-ZDUSSCGKSA-N 2 1 331.420 1.204 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C(C)(C)C[NH+](C)C ZINC000417848729 251296890 /nfs/dbraw/zinc/29/68/90/251296890.db2.gz BYGXCQGFFVWGOD-ZBFHGGJFSA-N 2 1 333.480 1.714 20 0 EDADMP C[C@H](NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C(C)(C)C[NH+](C)C ZINC000417848727 251297628 /nfs/dbraw/zinc/29/76/28/251297628.db2.gz BYGXCQGFFVWGOD-GOEBONIOSA-N 2 1 333.480 1.714 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418422367 251367229 /nfs/dbraw/zinc/36/72/29/251367229.db2.gz ASVVIPGYDFPDMO-GOSISDBHSA-N 2 1 332.492 1.930 20 0 EDADMP Cn1cc[nH+]c1CC1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418428590 251368177 /nfs/dbraw/zinc/36/81/77/251368177.db2.gz PFSZTKJEQMGKKQ-CVEARBPZSA-N 2 1 333.480 1.902 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000418152970 251345845 /nfs/dbraw/zinc/34/58/45/251345845.db2.gz UKRMDKZBAIIVGY-ROUUACIJSA-N 2 1 346.475 1.266 20 0 EDADMP [NH3+]CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418159536 251348624 /nfs/dbraw/zinc/34/86/24/251348624.db2.gz RDQUNWZDFSKRHY-RBUKOAKNSA-N 2 1 338.455 1.913 20 0 EDADMP Cc1cc(CNC(=O)NCCC[NH2+]C2CC2)cc(N2CCCC2)[nH+]1 ZINC000418201707 251356148 /nfs/dbraw/zinc/35/61/48/251356148.db2.gz SFAJUKQCFLTKBA-UHFFFAOYSA-N 2 1 331.464 1.932 20 0 EDADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC[NH3+] ZINC000418305519 251358550 /nfs/dbraw/zinc/35/85/50/251358550.db2.gz OKTNCDLFBVFOKW-WMLDXEAASA-N 2 1 333.480 1.591 20 0 EDADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC[NH3+] ZINC000418305519 251358551 /nfs/dbraw/zinc/35/85/51/251358551.db2.gz OKTNCDLFBVFOKW-WMLDXEAASA-N 2 1 333.480 1.591 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000262562661 139286839 /nfs/dbraw/zinc/28/68/39/139286839.db2.gz AKWZPVIUPKQCTQ-INIZCTEOSA-N 2 1 330.476 1.163 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000262635503 139291814 /nfs/dbraw/zinc/29/18/14/139291814.db2.gz HGBBGZXTRCWJGX-HOTGVXAUSA-N 2 1 346.475 1.379 20 0 EDADMP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262636698 139291958 /nfs/dbraw/zinc/29/19/58/139291958.db2.gz ONJWMVZOCSLKMO-FGTMMUONSA-N 2 1 329.444 1.240 20 0 EDADMP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262636698 139291959 /nfs/dbraw/zinc/29/19/59/139291959.db2.gz ONJWMVZOCSLKMO-FGTMMUONSA-N 2 1 329.444 1.240 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)cc2F)CC1 ZINC000262713660 139298242 /nfs/dbraw/zinc/29/82/42/139298242.db2.gz DCGKSLKOZULMGR-WMLDXEAASA-N 2 1 348.466 1.695 20 0 EDADMP C[NH+](C)CCOc1cccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422897161 252015009 /nfs/dbraw/zinc/01/50/09/252015009.db2.gz JFNBAENDGCEGHG-XUVXKRRUSA-N 2 1 347.503 1.874 20 0 EDADMP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422901719 252017426 /nfs/dbraw/zinc/01/74/26/252017426.db2.gz LUGLORYKLONNDA-CVEARBPZSA-N 2 1 325.478 1.685 20 0 EDADMP FC(F)C(F)(F)COCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423073304 252034416 /nfs/dbraw/zinc/03/44/16/252034416.db2.gz INDLKVZCVKOQEB-TUAOUCFPSA-N 2 1 328.350 1.650 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H]1c1ccc(Cl)cc1 ZINC000423838674 252086599 /nfs/dbraw/zinc/08/65/99/252086599.db2.gz XTDHGFFLOAZSNZ-WCVJEAGWSA-N 2 1 337.851 1.708 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H]1c1ccc(Cl)cc1 ZINC000423838674 252086603 /nfs/dbraw/zinc/08/66/03/252086603.db2.gz XTDHGFFLOAZSNZ-WCVJEAGWSA-N 2 1 337.851 1.708 20 0 EDADMP O=C(CCOC1C[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424218776 252167084 /nfs/dbraw/zinc/16/70/84/252167084.db2.gz WYEYTPYKGYWRHG-FUHWJXTLSA-N 2 1 329.444 1.098 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424136357 252137973 /nfs/dbraw/zinc/13/79/73/252137973.db2.gz AKEMSPQAQZXUFL-HOTGVXAUSA-N 2 1 345.491 1.681 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000424278912 252189587 /nfs/dbraw/zinc/18/95/87/252189587.db2.gz FUIMHTOJLRZZMV-JQWIXIFHSA-N 2 1 333.404 1.229 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)[C@H](C)C1 ZINC000177769676 207394138 /nfs/dbraw/zinc/39/41/38/207394138.db2.gz QDWQTLYTWANQAJ-WBVHZDCISA-N 2 1 339.505 1.426 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)[C@H](C)C1 ZINC000177769676 207394142 /nfs/dbraw/zinc/39/41/42/207394142.db2.gz QDWQTLYTWANQAJ-WBVHZDCISA-N 2 1 339.505 1.426 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424475022 252244887 /nfs/dbraw/zinc/24/48/87/252244887.db2.gz YJOBUWOBBMBQOG-CQSZACIVSA-N 2 1 334.464 1.629 20 0 EDADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000569912715 306524541 /nfs/dbraw/zinc/52/45/41/306524541.db2.gz FIHLQWFWPWIUCL-RDJZCZTQSA-N 2 1 337.489 1.583 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1c(Br)cnn1C ZINC000487557737 255032791 /nfs/dbraw/zinc/03/27/91/255032791.db2.gz JVLHTEIGRNQIPX-LBPRGKRZSA-N 2 1 344.301 1.298 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1cccnc1 ZINC000263853666 139364774 /nfs/dbraw/zinc/36/47/74/139364774.db2.gz ZHJKKXYQICCLIV-QZEKMECESA-N 2 1 330.476 1.969 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1occ2c1CCOC2 ZINC000375714869 285250340 /nfs/dbraw/zinc/25/03/40/285250340.db2.gz RYICGEZZARKUFJ-MRXNPFEDSA-N 2 1 349.475 1.840 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493974566 255229289 /nfs/dbraw/zinc/22/92/89/255229289.db2.gz BRXMUWDHPNJJES-WCXIOVBPSA-N 2 1 335.492 1.511 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000378152994 285258519 /nfs/dbraw/zinc/25/85/19/285258519.db2.gz QYFDRMLWHQIOAR-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000378152994 285258520 /nfs/dbraw/zinc/25/85/20/285258520.db2.gz QYFDRMLWHQIOAR-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000494673652 255257300 /nfs/dbraw/zinc/25/73/00/255257300.db2.gz RLVWBMZRWWOYCP-INIZCTEOSA-N 2 1 348.491 1.903 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCOCC1 ZINC000345756215 285280368 /nfs/dbraw/zinc/28/03/68/285280368.db2.gz ABLLZALOAPGVIB-IRXDYDNUSA-N 2 1 325.497 1.678 20 0 EDADMP CCN1CC[NH+](CCC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000357107394 285314953 /nfs/dbraw/zinc/31/49/53/285314953.db2.gz FBCAPYHCFXQVOO-QZTJIDSGSA-N 2 1 338.540 1.498 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000270361823 140085905 /nfs/dbraw/zinc/08/59/05/140085905.db2.gz RPZIJMNLLCUVNN-IAGOWNOFSA-N 2 1 327.432 1.936 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000270361823 140085907 /nfs/dbraw/zinc/08/59/07/140085907.db2.gz RPZIJMNLLCUVNN-IAGOWNOFSA-N 2 1 327.432 1.936 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000271159527 140248523 /nfs/dbraw/zinc/24/85/23/140248523.db2.gz WAXYAOZWQILZMW-IRXDYDNUSA-N 2 1 345.487 1.518 20 0 EDADMP C[N@H+]1CCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000271393866 140290023 /nfs/dbraw/zinc/29/00/23/140290023.db2.gz DAFXGPOBFOIFSU-UHFFFAOYSA-N 2 1 331.464 1.645 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271815896 140355446 /nfs/dbraw/zinc/35/54/46/140355446.db2.gz MAIGSJOIRPLSDW-UHFFFAOYSA-N 2 1 334.464 1.803 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416302442 304306462 /nfs/dbraw/zinc/30/64/62/304306462.db2.gz GCWJHLQCKLDNDR-JFIYKMOQSA-N 2 1 333.476 1.593 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000331599054 141054206 /nfs/dbraw/zinc/05/42/06/141054206.db2.gz IFORQHRSVYFHMW-HOTGVXAUSA-N 2 1 348.491 1.929 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000332545881 141200311 /nfs/dbraw/zinc/20/03/11/141200311.db2.gz MTGZEILYLALGHZ-HZPDHXFCSA-N 2 1 331.464 1.704 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000332545881 141200312 /nfs/dbraw/zinc/20/03/12/141200312.db2.gz MTGZEILYLALGHZ-HZPDHXFCSA-N 2 1 331.464 1.704 20 0 EDADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000332548198 141200865 /nfs/dbraw/zinc/20/08/65/141200865.db2.gz DMPRBXVNCHUONZ-KBPBESRZSA-N 2 1 336.484 1.406 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000332548198 141200867 /nfs/dbraw/zinc/20/08/67/141200867.db2.gz DMPRBXVNCHUONZ-KBPBESRZSA-N 2 1 336.484 1.406 20 0 EDADMP Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@H]3CC[N@H+](C)C[C@H]31)CCC2 ZINC000332852838 141241168 /nfs/dbraw/zinc/24/11/68/141241168.db2.gz XQPIOBWRAYOVTN-OWCLPIDISA-N 2 1 331.464 1.805 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000333356094 141304768 /nfs/dbraw/zinc/30/47/68/141304768.db2.gz KICZKCHLAQRJMB-RANZSIQMSA-N 2 1 330.476 1.853 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000333805441 141384895 /nfs/dbraw/zinc/38/48/95/141384895.db2.gz OSGAAGHHWFFCOT-FDPIWHGQSA-N 2 1 342.487 1.812 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000339562949 142078082 /nfs/dbraw/zinc/07/80/82/142078082.db2.gz PEILYAVIHKSVIE-KRWDZBQOSA-N 2 1 338.496 1.080 20 0 EDADMP CC(=O)N1CCN(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340181641 142294592 /nfs/dbraw/zinc/29/45/92/142294592.db2.gz VXMIWDVDISFZIR-VQTJNVASSA-N 2 1 344.503 1.576 20 0 EDADMP CC(=O)N1CCN(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340181641 142294593 /nfs/dbraw/zinc/29/45/93/142294593.db2.gz VXMIWDVDISFZIR-VQTJNVASSA-N 2 1 344.503 1.576 20 0 EDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000340188150 142296590 /nfs/dbraw/zinc/29/65/90/142296590.db2.gz HEIWKSDKPZHLAN-GUYCJALGSA-N 2 1 337.489 1.643 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCCN(C)[C@@H]2c2ccnn2C)CC1 ZINC000345039866 143042460 /nfs/dbraw/zinc/04/24/60/143042460.db2.gz YBNSETYZVRGJDP-APWZRJJASA-N 2 1 349.523 1.503 20 0 EDADMP C[C@@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)[N@@H+]1CCc2ccccc2C1 ZINC000346104568 143168065 /nfs/dbraw/zinc/16/80/65/143168065.db2.gz PTNTWKKHPLGBGY-KXBFYZLASA-N 2 1 327.472 1.986 20 0 EDADMP C[C@@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)[N@H+]1CCc2ccccc2C1 ZINC000346104568 143168066 /nfs/dbraw/zinc/16/80/66/143168066.db2.gz PTNTWKKHPLGBGY-KXBFYZLASA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000346155174 143173394 /nfs/dbraw/zinc/17/33/94/143173394.db2.gz RZYPMRKUTXSPAC-KRWDZBQOSA-N 2 1 344.503 1.600 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000346280559 143186488 /nfs/dbraw/zinc/18/64/88/143186488.db2.gz JJSLVVIGZXZAJS-IAGOWNOFSA-N 2 1 345.491 1.227 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@@H](C)C1 ZINC000346575927 143218072 /nfs/dbraw/zinc/21/80/72/143218072.db2.gz VKUHJCNJGHYYFW-OKYOBFRVSA-N 2 1 339.524 1.576 20 0 EDADMP COC(=O)[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000346668245 143229166 /nfs/dbraw/zinc/22/91/66/143229166.db2.gz IERDFFNWNAJCDZ-QEKYSWFISA-N 2 1 338.448 1.309 20 0 EDADMP COC(=O)[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000346668245 143229167 /nfs/dbraw/zinc/22/91/67/143229167.db2.gz IERDFFNWNAJCDZ-QEKYSWFISA-N 2 1 338.448 1.309 20 0 EDADMP COC(=O)[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000346668245 143229168 /nfs/dbraw/zinc/22/91/68/143229168.db2.gz IERDFFNWNAJCDZ-QEKYSWFISA-N 2 1 338.448 1.309 20 0 EDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000346960483 143266289 /nfs/dbraw/zinc/26/62/89/143266289.db2.gz HUIZSHWURBNNRQ-CABCVRRESA-N 2 1 325.497 1.865 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000346982041 143268348 /nfs/dbraw/zinc/26/83/48/143268348.db2.gz FOIQLDAQOADAKF-SFHVURJKSA-N 2 1 346.475 1.065 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000346982041 143268349 /nfs/dbraw/zinc/26/83/49/143268349.db2.gz FOIQLDAQOADAKF-SFHVURJKSA-N 2 1 346.475 1.065 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000346982041 143268350 /nfs/dbraw/zinc/26/83/50/143268350.db2.gz FOIQLDAQOADAKF-SFHVURJKSA-N 2 1 346.475 1.065 20 0 EDADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347227836 143297618 /nfs/dbraw/zinc/29/76/18/143297618.db2.gz WMWXGDBPVCMEQN-UKTKYZJWSA-N 2 1 343.471 1.852 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000347665968 143347200 /nfs/dbraw/zinc/34/72/00/143347200.db2.gz ABAWPJHTQHBKGK-HZPDHXFCSA-N 2 1 343.475 1.142 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CCCO1 ZINC000347834209 143368594 /nfs/dbraw/zinc/36/85/94/143368594.db2.gz QGWLZDHDOOJLLQ-CVEARBPZSA-N 2 1 349.479 1.246 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CCCO1 ZINC000347834209 143368595 /nfs/dbraw/zinc/36/85/95/143368595.db2.gz QGWLZDHDOOJLLQ-CVEARBPZSA-N 2 1 349.479 1.246 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000355418736 292168380 /nfs/dbraw/zinc/16/83/80/292168380.db2.gz LGQAUOHFESZBQO-OAHLLOKOSA-N 2 1 340.512 1.611 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000369847352 155203135 /nfs/dbraw/zinc/20/31/35/155203135.db2.gz QUCXRULISXNHRE-ALOPSCKCSA-N 2 1 338.496 1.365 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000369847352 155203143 /nfs/dbraw/zinc/20/31/43/155203143.db2.gz QUCXRULISXNHRE-ALOPSCKCSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000369851259 155203434 /nfs/dbraw/zinc/20/34/34/155203434.db2.gz IZMBEPAAJULVHY-AWEZNQCLSA-N 2 1 329.452 1.025 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000416845419 304351290 /nfs/dbraw/zinc/35/12/90/304351290.db2.gz RSAPHKYCVUMQFO-KZNAEPCWSA-N 2 1 328.460 1.512 20 0 EDADMP Cc1nn(-c2ccccc2)cc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352691670 149118674 /nfs/dbraw/zinc/11/86/74/149118674.db2.gz NAANIBCRGSEPHE-LJQANCHMSA-N 2 1 325.460 1.660 20 0 EDADMP Cn1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(C2CCCCC2)n1 ZINC000352720482 149128795 /nfs/dbraw/zinc/12/87/95/149128795.db2.gz NEIORMCONKFJQL-GOSISDBHSA-N 2 1 331.508 1.947 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2[C@H]1c1ccccc1 ZINC000369915769 155229971 /nfs/dbraw/zinc/22/99/71/155229971.db2.gz JJZDFFCPUMVUNR-XLAORIBOSA-N 2 1 329.444 1.078 20 0 EDADMP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2[C@H]1c1ccccc1 ZINC000369915769 155229974 /nfs/dbraw/zinc/22/99/74/155229974.db2.gz JJZDFFCPUMVUNR-XLAORIBOSA-N 2 1 329.444 1.078 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2[C@H]1c1ccccc1 ZINC000369915769 155229975 /nfs/dbraw/zinc/22/99/75/155229975.db2.gz JJZDFFCPUMVUNR-XLAORIBOSA-N 2 1 329.444 1.078 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2[C@H]1c1ccccc1 ZINC000369915769 155229978 /nfs/dbraw/zinc/22/99/78/155229978.db2.gz JJZDFFCPUMVUNR-XLAORIBOSA-N 2 1 329.444 1.078 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CCSC1 ZINC000353327374 149366175 /nfs/dbraw/zinc/36/61/75/149366175.db2.gz NQHAIDMJRFSARF-IJEWVQPXSA-N 2 1 326.510 1.159 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000369951127 155247875 /nfs/dbraw/zinc/24/78/75/155247875.db2.gz LJAYLASVOFDEBI-QGZVFWFLSA-N 2 1 332.448 1.230 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000369951127 155247879 /nfs/dbraw/zinc/24/78/79/155247879.db2.gz LJAYLASVOFDEBI-QGZVFWFLSA-N 2 1 332.448 1.230 20 0 EDADMP CCOC(=O)CCCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354902177 150021420 /nfs/dbraw/zinc/02/14/20/150021420.db2.gz FEWGCBLYYLXUMS-UHFFFAOYSA-N 2 1 342.480 1.269 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354931761 150039515 /nfs/dbraw/zinc/03/95/15/150039515.db2.gz RXIFIWIMDSMZDF-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354931761 150039518 /nfs/dbraw/zinc/03/95/18/150039518.db2.gz RXIFIWIMDSMZDF-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000354931761 150039520 /nfs/dbraw/zinc/03/95/20/150039520.db2.gz RXIFIWIMDSMZDF-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000354931761 150039522 /nfs/dbraw/zinc/03/95/22/150039522.db2.gz RXIFIWIMDSMZDF-MSOLQXFVSA-N 2 1 331.460 1.440 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CC[C@@H](O)C3)c2)C1 ZINC000355346455 150226438 /nfs/dbraw/zinc/22/64/38/150226438.db2.gz UFLBCQSZBWJNHL-MSOLQXFVSA-N 2 1 347.459 1.301 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CC[C@@H](O)C3)c2)C1 ZINC000355346455 150226441 /nfs/dbraw/zinc/22/64/41/150226441.db2.gz UFLBCQSZBWJNHL-MSOLQXFVSA-N 2 1 347.459 1.301 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)C1 ZINC000355346455 150226445 /nfs/dbraw/zinc/22/64/45/150226445.db2.gz UFLBCQSZBWJNHL-MSOLQXFVSA-N 2 1 347.459 1.301 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)C1 ZINC000355346455 150226449 /nfs/dbraw/zinc/22/64/49/150226449.db2.gz UFLBCQSZBWJNHL-MSOLQXFVSA-N 2 1 347.459 1.301 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417038032 304364406 /nfs/dbraw/zinc/36/44/06/304364406.db2.gz UHWNQLVJEVQEAU-OALUTQOASA-N 2 1 342.487 1.686 20 0 EDADMP COC[C@@]1(CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000417045075 304365773 /nfs/dbraw/zinc/36/57/73/304365773.db2.gz YUXAAEFUICQXQN-JZXOWHBKSA-N 2 1 340.512 1.422 20 0 EDADMP CC1(C)CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000357349252 151004474 /nfs/dbraw/zinc/00/44/74/151004474.db2.gz PQVYYEZHLZVUNU-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000358132697 151283105 /nfs/dbraw/zinc/28/31/05/151283105.db2.gz ODOALTBNAMQAQL-HOTGVXAUSA-N 2 1 340.512 1.166 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000358132697 151283106 /nfs/dbraw/zinc/28/31/06/151283106.db2.gz ODOALTBNAMQAQL-HOTGVXAUSA-N 2 1 340.512 1.166 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000358132697 151283109 /nfs/dbraw/zinc/28/31/09/151283109.db2.gz ODOALTBNAMQAQL-HOTGVXAUSA-N 2 1 340.512 1.166 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000370075291 155314785 /nfs/dbraw/zinc/31/47/85/155314785.db2.gz PBCJEYLFIOQTCL-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000370075291 155314786 /nfs/dbraw/zinc/31/47/86/155314786.db2.gz PBCJEYLFIOQTCL-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000417114981 304374029 /nfs/dbraw/zinc/37/40/29/304374029.db2.gz OJGLAIAHCRPDFP-IIAWOOMASA-N 2 1 348.516 1.746 20 0 EDADMP C[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000417114981 304374031 /nfs/dbraw/zinc/37/40/31/304374031.db2.gz OJGLAIAHCRPDFP-IIAWOOMASA-N 2 1 348.516 1.746 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@@H]2CC[NH+](C)[C@@H]2C1)Cc1ccc(F)cc1 ZINC000360437991 152043282 /nfs/dbraw/zinc/04/32/82/152043282.db2.gz UVJFXUOEVCXVCR-FUHWJXTLSA-N 2 1 348.466 1.993 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1)Cc1ccc(F)cc1 ZINC000360437991 152043283 /nfs/dbraw/zinc/04/32/83/152043283.db2.gz UVJFXUOEVCXVCR-FUHWJXTLSA-N 2 1 348.466 1.993 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1)Cc1ccc(F)cc1 ZINC000360437991 152043285 /nfs/dbraw/zinc/04/32/85/152043285.db2.gz UVJFXUOEVCXVCR-FUHWJXTLSA-N 2 1 348.466 1.993 20 0 EDADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CC[C@@H]3[C@H](CCC[NH+]3C)C1)C2 ZINC000360571882 152102403 /nfs/dbraw/zinc/10/24/03/152102403.db2.gz RMEIFIKSPDSAKT-JRACIQGZSA-N 2 1 334.508 1.985 20 0 EDADMP C[NH+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CC[C@@H]3[C@H](CCC[N@@H+]3C)C1)C2 ZINC000360571882 152102405 /nfs/dbraw/zinc/10/24/05/152102405.db2.gz RMEIFIKSPDSAKT-JRACIQGZSA-N 2 1 334.508 1.985 20 0 EDADMP C[NH+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3C)C1)C2 ZINC000360571882 152102407 /nfs/dbraw/zinc/10/24/07/152102407.db2.gz RMEIFIKSPDSAKT-JRACIQGZSA-N 2 1 334.508 1.985 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1 ZINC000360734483 152175138 /nfs/dbraw/zinc/17/51/38/152175138.db2.gz OAJGGHRKDQCTBH-ROUUACIJSA-N 2 1 331.460 1.731 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)cc1 ZINC000360734483 152175140 /nfs/dbraw/zinc/17/51/40/152175140.db2.gz OAJGGHRKDQCTBH-ROUUACIJSA-N 2 1 331.460 1.731 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000361007564 152276420 /nfs/dbraw/zinc/27/64/20/152276420.db2.gz GVVISRHOEBXXKH-GOSISDBHSA-N 2 1 345.487 1.731 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCOCC2(C)C)[C@H](C)C1 ZINC000361164611 152324329 /nfs/dbraw/zinc/32/43/29/152324329.db2.gz RKEADWZAODFQFJ-MSOLQXFVSA-N 2 1 341.540 1.824 20 0 EDADMP C[NH2+]CCNC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417150663 304378142 /nfs/dbraw/zinc/37/81/42/304378142.db2.gz FWUJJHREHHVLCN-UHFFFAOYSA-N 2 1 347.507 1.103 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000363863381 153078826 /nfs/dbraw/zinc/07/88/26/153078826.db2.gz UGJLQEIYZAFAKI-KXBFYZLASA-N 2 1 342.487 1.893 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417190188 304382683 /nfs/dbraw/zinc/38/26/83/304382683.db2.gz WYUOXUHGCUDTLR-SFHVURJKSA-N 2 1 348.491 1.836 20 0 EDADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000366394595 153803271 /nfs/dbraw/zinc/80/32/71/153803271.db2.gz ACFDACJGHYMKRA-ZDUSSCGKSA-N 2 1 335.370 1.614 20 0 EDADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@](O)(C(N)=O)C1 ZINC000367494175 154148087 /nfs/dbraw/zinc/14/80/87/154148087.db2.gz ZWHZERKCGTXNLP-LJQANCHMSA-N 2 1 333.476 1.457 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@](O)(C(N)=O)C1 ZINC000367494175 154148088 /nfs/dbraw/zinc/14/80/88/154148088.db2.gz ZWHZERKCGTXNLP-LJQANCHMSA-N 2 1 333.476 1.457 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367494175 154148089 /nfs/dbraw/zinc/14/80/89/154148089.db2.gz ZWHZERKCGTXNLP-LJQANCHMSA-N 2 1 333.476 1.457 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367494175 154148091 /nfs/dbraw/zinc/14/80/91/154148091.db2.gz ZWHZERKCGTXNLP-LJQANCHMSA-N 2 1 333.476 1.457 20 0 EDADMP C[NH2+][C@@H](C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1)c1cnn(C)c1 ZINC000367604265 154197183 /nfs/dbraw/zinc/19/71/83/154197183.db2.gz AHLWQLLQOUEOPX-DLBZAZTESA-N 2 1 333.480 1.548 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C1 ZINC000367933152 154332565 /nfs/dbraw/zinc/33/25/65/154332565.db2.gz WSSACAXKGGZPDS-HNNXBMFYSA-N 2 1 333.480 1.278 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)nc(C)[nH+]1 ZINC000368002489 154362868 /nfs/dbraw/zinc/36/28/68/154362868.db2.gz WJNNMLUFOTVWSD-MRXNPFEDSA-N 2 1 343.475 1.807 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369617406 155113000 /nfs/dbraw/zinc/11/30/00/155113000.db2.gz NOVXOYAAJLCAFR-ZIAGYGMSSA-N 2 1 335.452 1.248 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369617406 155113001 /nfs/dbraw/zinc/11/30/01/155113001.db2.gz NOVXOYAAJLCAFR-ZIAGYGMSSA-N 2 1 335.452 1.248 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CCc3[nH+]ccn3C2)C[N@@H+]1C1CC1 ZINC000369639470 155118647 /nfs/dbraw/zinc/11/86/47/155118647.db2.gz MPMPMJOVZLCMKT-RBSFLKMASA-N 2 1 331.464 1.712 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CCc3[nH+]ccn3C2)C[N@H+]1C1CC1 ZINC000369639470 155118649 /nfs/dbraw/zinc/11/86/49/155118649.db2.gz MPMPMJOVZLCMKT-RBSFLKMASA-N 2 1 331.464 1.712 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000369658433 155122321 /nfs/dbraw/zinc/12/23/21/155122321.db2.gz DGMRNAMPSIGEHH-ULQDDVLXSA-N 2 1 325.497 1.819 20 0 EDADMP Cc1[nH+]c(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c2n1CCCC2 ZINC000372823536 156549361 /nfs/dbraw/zinc/54/93/61/156549361.db2.gz XTLBFVKHGXAWIR-CQSZACIVSA-N 2 1 342.447 1.579 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000368696896 292349212 /nfs/dbraw/zinc/34/92/12/292349212.db2.gz OMPPVZUEBPBXBU-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000374044612 157120403 /nfs/dbraw/zinc/12/04/03/157120403.db2.gz TUKCLDGVOZDMPV-ROUUACIJSA-N 2 1 349.519 1.964 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)[C@H]1c1cccs1 ZINC000374591682 157339367 /nfs/dbraw/zinc/33/93/67/157339367.db2.gz HKUFPNRLHMDALM-BMFZPTHFSA-N 2 1 337.489 1.611 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]2[NH3+])[C@@H](c2ccccc2)C1 ZINC000378207484 158110078 /nfs/dbraw/zinc/11/00/78/158110078.db2.gz RURUNPBKTKYUNW-KZNAEPCWSA-N 2 1 330.476 1.219 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccon1 ZINC000352276800 162088795 /nfs/dbraw/zinc/08/87/95/162088795.db2.gz XGVYVUKRCMMPJL-GJZGRUSLSA-N 2 1 337.468 1.793 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000364438607 162329505 /nfs/dbraw/zinc/32/95/05/162329505.db2.gz RGQOMSDKPIDYAI-IBGZPJMESA-N 2 1 343.471 1.477 20 0 EDADMP C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC[C@H]1CCCC[NH+]1C ZINC000072759266 287256894 /nfs/dbraw/zinc/25/68/94/287256894.db2.gz JBCPLMAZXOEETM-QGZVFWFLSA-N 2 1 346.475 1.920 20 0 EDADMP C[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000072759266 287256896 /nfs/dbraw/zinc/25/68/96/287256896.db2.gz JBCPLMAZXOEETM-QGZVFWFLSA-N 2 1 346.475 1.920 20 0 EDADMP C[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC[C@H]1CCCC[N@H+]1C ZINC000072759266 287256897 /nfs/dbraw/zinc/25/68/97/287256897.db2.gz JBCPLMAZXOEETM-QGZVFWFLSA-N 2 1 346.475 1.920 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000073527324 287261168 /nfs/dbraw/zinc/26/11/68/287261168.db2.gz LYCHJNQJPAOVKE-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000073676591 287262604 /nfs/dbraw/zinc/26/26/04/287262604.db2.gz GJVCJNSMDRRLFV-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH+]3CCc4ccccc4CC3)cn2)CC1 ZINC000093385350 287335319 /nfs/dbraw/zinc/33/53/19/287335319.db2.gz LUSJIYXLPFHBTO-UHFFFAOYSA-N 2 1 337.471 1.829 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)n(C)n1 ZINC000121873080 287375452 /nfs/dbraw/zinc/37/54/52/287375452.db2.gz ASCYOFWKKCCVHA-OAHLLOKOSA-N 2 1 336.484 1.608 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000123345313 222260786 /nfs/dbraw/zinc/26/07/86/222260786.db2.gz KLVKVYSAWGWKCN-INIZCTEOSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)([NH3+])CNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000418410415 304492978 /nfs/dbraw/zinc/49/29/78/304492978.db2.gz CBEWLXNVJCOQFZ-UHFFFAOYSA-N 2 1 340.390 1.020 20 0 EDADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C(C)C ZINC000652345389 452519807 /nfs/dbraw/zinc/51/98/07/452519807.db2.gz AWVZDFIMMRHUIX-YESZJQIVSA-N 2 1 325.497 1.850 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275382256 268333427 /nfs/dbraw/zinc/33/34/27/268333427.db2.gz DPHQJKOPQRKUGJ-UHFFFAOYSA-N 2 1 348.491 1.577 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275979116 273138688 /nfs/dbraw/zinc/13/86/88/273138688.db2.gz YAYMUCOTSKSURH-HOCLYGCPSA-N 2 1 325.478 1.178 20 0 EDADMP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275979116 273138689 /nfs/dbraw/zinc/13/86/89/273138689.db2.gz YAYMUCOTSKSURH-HOCLYGCPSA-N 2 1 325.478 1.178 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000277284855 273187315 /nfs/dbraw/zinc/18/73/15/273187315.db2.gz IPPWAYSOROUNEI-MOPGFXCFSA-N 2 1 347.503 1.980 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCCCCO ZINC000278985562 273277217 /nfs/dbraw/zinc/27/72/17/273277217.db2.gz ZSMPXCWEZRYEOI-MJGOQNOKSA-N 2 1 347.503 1.860 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000284229906 274125522 /nfs/dbraw/zinc/12/55/22/274125522.db2.gz FZADUWPQJVMFEM-OAHLLOKOSA-N 2 1 349.479 1.079 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000284229906 274125525 /nfs/dbraw/zinc/12/55/25/274125525.db2.gz FZADUWPQJVMFEM-OAHLLOKOSA-N 2 1 349.479 1.079 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000365085337 276123024 /nfs/dbraw/zinc/12/30/24/276123024.db2.gz DOCKERNMPQNDQF-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377637688 276158067 /nfs/dbraw/zinc/15/80/67/276158067.db2.gz UOOYDPUVZWKGNQ-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000377637688 276158068 /nfs/dbraw/zinc/15/80/68/276158068.db2.gz UOOYDPUVZWKGNQ-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000377637688 276158069 /nfs/dbraw/zinc/15/80/69/276158069.db2.gz UOOYDPUVZWKGNQ-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377637688 276158070 /nfs/dbraw/zinc/15/80/70/276158070.db2.gz UOOYDPUVZWKGNQ-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377637688 276158071 /nfs/dbraw/zinc/15/80/71/276158071.db2.gz UOOYDPUVZWKGNQ-ROUUACIJSA-N 2 1 336.524 1.488 20 0 EDADMP CC1CC[NH+]([C@H](CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)c2ccccc2)CC1 ZINC000262405373 276199541 /nfs/dbraw/zinc/19/95/41/276199541.db2.gz YVWRTQNWNXMVDX-QRQLOZEOSA-N 2 1 345.487 1.953 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3F)C2)CC1 ZINC000171528245 276200832 /nfs/dbraw/zinc/20/08/32/276200832.db2.gz DJSAEEUFYZUVND-INIZCTEOSA-N 2 1 348.466 1.866 20 0 EDADMP CC[N@@H+]1CCc2nc(NC(=O)c3cc([C@H]4CC[NH2+]C4)[nH]n3)sc2C1 ZINC000362556117 276237375 /nfs/dbraw/zinc/23/73/75/276237375.db2.gz QFRYBGWUTULQPJ-JTQLQIEISA-N 2 1 346.460 1.573 20 0 EDADMP CC[N@H+]1CCc2nc(NC(=O)c3cc([C@H]4CC[NH2+]C4)[nH]n3)sc2C1 ZINC000362556117 276237376 /nfs/dbraw/zinc/23/73/76/276237376.db2.gz QFRYBGWUTULQPJ-JTQLQIEISA-N 2 1 346.460 1.573 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000442880340 276287572 /nfs/dbraw/zinc/28/75/72/276287572.db2.gz YKHXRFANNYGJBS-GVDBMIGSSA-N 2 1 339.524 1.970 20 0 EDADMP CCOC1CC(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)C1 ZINC000375685414 276309608 /nfs/dbraw/zinc/30/96/08/276309608.db2.gz QBVBUPOVXCUHEA-FCCDEINASA-N 2 1 325.497 1.138 20 0 EDADMP CCOC1CC(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)C1 ZINC000375685414 276309609 /nfs/dbraw/zinc/30/96/09/276309609.db2.gz QBVBUPOVXCUHEA-FCCDEINASA-N 2 1 325.497 1.138 20 0 EDADMP CCOC1CC(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)C1 ZINC000375685414 276309611 /nfs/dbraw/zinc/30/96/11/276309611.db2.gz QBVBUPOVXCUHEA-FCCDEINASA-N 2 1 325.497 1.138 20 0 EDADMP CCOC1CC(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)C1 ZINC000375685414 276309613 /nfs/dbraw/zinc/30/96/13/276309613.db2.gz QBVBUPOVXCUHEA-FCCDEINASA-N 2 1 325.497 1.138 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000237091430 276756054 /nfs/dbraw/zinc/75/60/54/276756054.db2.gz XOWHUIVKYSZABG-OAHLLOKOSA-N 2 1 330.432 1.515 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000496385706 277068853 /nfs/dbraw/zinc/06/88/53/277068853.db2.gz UGTMEIBOZSPWGK-IIDMSEBBSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000496385706 277068854 /nfs/dbraw/zinc/06/88/54/277068854.db2.gz UGTMEIBOZSPWGK-IIDMSEBBSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000496385706 277068856 /nfs/dbraw/zinc/06/88/56/277068856.db2.gz UGTMEIBOZSPWGK-IIDMSEBBSA-N 2 1 341.496 1.678 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3C3CCOCC3)cn2)CC1 ZINC000347664119 277114517 /nfs/dbraw/zinc/11/45/17/277114517.db2.gz DIGAYJSOVWOQRJ-GOSISDBHSA-N 2 1 345.491 1.619 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3C3CCOCC3)cn2)CC1 ZINC000347664119 277114519 /nfs/dbraw/zinc/11/45/19/277114519.db2.gz DIGAYJSOVWOQRJ-GOSISDBHSA-N 2 1 345.491 1.619 20 0 EDADMP CC(C)(C)NC(=O)C[N@@H+]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000368731681 277166072 /nfs/dbraw/zinc/16/60/72/277166072.db2.gz FDJIVROQHBTPNM-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP CC(C)(C)NC(=O)C[N@H+]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000368731681 277166073 /nfs/dbraw/zinc/16/60/73/277166073.db2.gz FDJIVROQHBTPNM-UHFFFAOYSA-N 2 1 338.540 1.785 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](CC(C)C)CC1 ZINC000369611376 277222953 /nfs/dbraw/zinc/22/29/53/277222953.db2.gz GGBSRIULDLRUNS-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000369611376 277222955 /nfs/dbraw/zinc/22/29/55/277222955.db2.gz GGBSRIULDLRUNS-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000369611376 277222956 /nfs/dbraw/zinc/22/29/56/277222956.db2.gz GGBSRIULDLRUNS-KRWDZBQOSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H](C(=O)N1CC[NH+]([C@H]2CCSC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000372102492 278141670 /nfs/dbraw/zinc/14/16/70/278141670.db2.gz OTUGGPMNWTZGRS-XIRDDKMYSA-N 2 1 333.501 1.972 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCc2ccc3c(c2)OCCO3)CC1 ZINC000360006124 278392928 /nfs/dbraw/zinc/39/29/28/278392928.db2.gz WTWOEVKRZBMROC-OAHLLOKOSA-N 2 1 334.460 1.777 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCc2ccc3c(c2)OCCO3)CC1 ZINC000360006124 278392929 /nfs/dbraw/zinc/39/29/29/278392929.db2.gz WTWOEVKRZBMROC-OAHLLOKOSA-N 2 1 334.460 1.777 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000336857880 279125024 /nfs/dbraw/zinc/12/50/24/279125024.db2.gz VREVCCLDQFDYAB-CVEARBPZSA-N 2 1 331.526 1.322 20 0 EDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000336857880 279125026 /nfs/dbraw/zinc/12/50/26/279125026.db2.gz VREVCCLDQFDYAB-CVEARBPZSA-N 2 1 331.526 1.322 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000247040101 288107017 /nfs/dbraw/zinc/10/70/17/288107017.db2.gz MRUXGJOZTKQDLC-VQHPVUNQSA-N 2 1 327.538 1.513 20 0 EDADMP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062364 279187108 /nfs/dbraw/zinc/18/71/08/279187108.db2.gz UNDMECIFIFDWGM-ZIAGYGMSSA-N 2 1 330.432 1.421 20 0 EDADMP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000268948160 279314457 /nfs/dbraw/zinc/31/44/57/279314457.db2.gz UZUHOIVOMSHRNV-FGTMMUONSA-N 2 1 331.508 1.664 20 0 EDADMP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000268948160 279314458 /nfs/dbraw/zinc/31/44/58/279314458.db2.gz UZUHOIVOMSHRNV-FGTMMUONSA-N 2 1 331.508 1.664 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO)[NH+](C)C1CC1 ZINC000362812765 279330088 /nfs/dbraw/zinc/33/00/88/279330088.db2.gz DUJJIEWBACPHFL-PVAVHDDUSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCC[C@H]1CO)[N@H+](C)C1CC1 ZINC000362812765 279330090 /nfs/dbraw/zinc/33/00/90/279330090.db2.gz DUJJIEWBACPHFL-PVAVHDDUSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCC[C@H]1CO)[N@@H+](C)C1CC1 ZINC000362812765 279330092 /nfs/dbraw/zinc/33/00/92/279330092.db2.gz DUJJIEWBACPHFL-PVAVHDDUSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000360121666 279374791 /nfs/dbraw/zinc/37/47/91/279374791.db2.gz AHMYEJYWILRJSK-HOTGVXAUSA-N 2 1 328.501 1.467 20 0 EDADMP CC[N@@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000348861756 279392803 /nfs/dbraw/zinc/39/28/03/279392803.db2.gz RDTBXESIEWVTSP-MOPGFXCFSA-N 2 1 345.487 1.906 20 0 EDADMP CC[N@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000348861756 279392806 /nfs/dbraw/zinc/39/28/06/279392806.db2.gz RDTBXESIEWVTSP-MOPGFXCFSA-N 2 1 345.487 1.906 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)C[C@H](C)O1 ZINC000373860607 288151921 /nfs/dbraw/zinc/15/19/21/288151921.db2.gz UGQLOSBUTMYCBS-YNVMFWSZSA-N 2 1 349.519 1.724 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@H]([NH3+])CC(F)F)CC2)C[C@H](C)O1 ZINC000345704244 288156495 /nfs/dbraw/zinc/15/64/95/288156495.db2.gz FQKIUWFOWNVIPR-VNHYZAJKSA-N 2 1 347.450 1.707 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000356202214 288188950 /nfs/dbraw/zinc/18/89/50/288188950.db2.gz GHDBINIGYGIAMK-VQHPVUNQSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000356202214 288188954 /nfs/dbraw/zinc/18/89/54/288188954.db2.gz GHDBINIGYGIAMK-VQHPVUNQSA-N 2 1 338.496 1.364 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000077745442 280246898 /nfs/dbraw/zinc/24/68/98/280246898.db2.gz HLWDBQRTFUYYNO-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(Cl)cn1 ZINC000287382474 288224724 /nfs/dbraw/zinc/22/47/24/288224724.db2.gz LMDDSKCALSVYCA-HNNXBMFYSA-N 2 1 341.887 1.411 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000287491232 288249328 /nfs/dbraw/zinc/24/93/28/288249328.db2.gz XOKSLSUWQVWVMQ-MRXNPFEDSA-N 2 1 340.443 1.306 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000287541047 288261266 /nfs/dbraw/zinc/26/12/66/288261266.db2.gz OGNJQJGOOQTGMD-HOTGVXAUSA-N 2 1 348.491 1.657 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000287541047 288261268 /nfs/dbraw/zinc/26/12/68/288261268.db2.gz OGNJQJGOOQTGMD-HOTGVXAUSA-N 2 1 348.491 1.657 20 0 EDADMP CC1(C)C[N@H+](C2(CNC(=O)C3CC[NH2+]CC3)CCCCC2)CCO1 ZINC000262702972 281229525 /nfs/dbraw/zinc/22/95/25/281229525.db2.gz JWKZVHVUBSOXCV-UHFFFAOYSA-N 2 1 337.508 1.916 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCn2cncc2C1 ZINC000291202331 289017378 /nfs/dbraw/zinc/01/73/78/289017378.db2.gz UTAQUMKWUJQSAV-SFHVURJKSA-N 2 1 340.427 1.516 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCn2cncc2C1 ZINC000291202331 289017379 /nfs/dbraw/zinc/01/73/79/289017379.db2.gz UTAQUMKWUJQSAV-SFHVURJKSA-N 2 1 340.427 1.516 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000420303302 289277975 /nfs/dbraw/zinc/27/79/75/289277975.db2.gz CRZBAZOUQKOTIB-AEFFLSMTSA-N 3 1 332.492 1.466 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C[C@@H]1C ZINC000333115504 290096948 /nfs/dbraw/zinc/09/69/48/290096948.db2.gz GFURFAZXVVRFAD-YQQAZPJKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C[C@@H]1C ZINC000333115504 290096953 /nfs/dbraw/zinc/09/69/53/290096953.db2.gz GFURFAZXVVRFAD-YQQAZPJKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C[C@@H]1C ZINC000333115504 290096955 /nfs/dbraw/zinc/09/69/55/290096955.db2.gz GFURFAZXVVRFAD-YQQAZPJKSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000333793779 297014902 /nfs/dbraw/zinc/01/49/02/297014902.db2.gz GPOCIENJJJEKMK-TWMKSMIVSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000333793779 297014904 /nfs/dbraw/zinc/01/49/04/297014904.db2.gz GPOCIENJJJEKMK-TWMKSMIVSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H](C)O1 ZINC000365216939 297017882 /nfs/dbraw/zinc/01/78/82/297017882.db2.gz CZAHUELPKXOXMT-LMSBXDPUSA-N 2 1 335.492 1.428 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000418514267 304506867 /nfs/dbraw/zinc/50/68/67/304506867.db2.gz WQYRTUHOPIBILW-UHFFFAOYSA-N 2 1 334.464 1.058 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C(C)(C)C1 ZINC000652925891 453107264 /nfs/dbraw/zinc/10/72/64/453107264.db2.gz DNDXZEWWKWZVLR-JYJNAYRXSA-N 2 1 325.497 1.817 20 0 EDADMP COCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C(C)(C)C1 ZINC000652925891 453107271 /nfs/dbraw/zinc/10/72/71/453107271.db2.gz DNDXZEWWKWZVLR-JYJNAYRXSA-N 2 1 325.497 1.817 20 0 EDADMP CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430959233 305070955 /nfs/dbraw/zinc/07/09/55/305070955.db2.gz XFYFRCPRVHKVCN-CYBMUJFWSA-N 2 1 325.840 1.458 20 0 EDADMP CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430959233 305070956 /nfs/dbraw/zinc/07/09/56/305070956.db2.gz XFYFRCPRVHKVCN-CYBMUJFWSA-N 2 1 325.840 1.458 20 0 EDADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CC[NH2+]CC1 ZINC000414977392 303117342 /nfs/dbraw/zinc/11/73/42/303117342.db2.gz RLDFMIKPVKKXGK-XQLPTFJDSA-N 3 1 334.430 1.333 20 0 EDADMP Cc1ccccc1[C@@H](N)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000295212253 303189524 /nfs/dbraw/zinc/18/95/24/303189524.db2.gz QBQBNULRKFEPAE-GOSISDBHSA-N 2 1 341.459 1.463 20 0 EDADMP C[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000296313822 303309796 /nfs/dbraw/zinc/30/97/96/303309796.db2.gz GSULRLARZGZMCF-HZPDHXFCSA-N 2 1 330.476 1.454 20 0 EDADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)CCCN1CCC([NH3+])CC1 ZINC000423724348 304906041 /nfs/dbraw/zinc/90/60/41/304906041.db2.gz HVAOMTHLCILYOC-UHFFFAOYSA-N 2 1 346.519 1.780 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000423918902 304916205 /nfs/dbraw/zinc/91/62/05/304916205.db2.gz SPCCLIFLOYRMBI-BMFZPTHFSA-N 2 1 331.464 1.426 20 0 EDADMP C[C@@]1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CCCC[NH2+]1 ZINC000424019513 304925632 /nfs/dbraw/zinc/92/56/32/304925632.db2.gz MCHYRFBCFSMNEF-IBGZPJMESA-N 2 1 344.503 1.628 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000424039341 304925998 /nfs/dbraw/zinc/92/59/98/304925998.db2.gz NPMUYIUXSVDBEB-QZTJIDSGSA-N 2 1 344.503 1.614 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)s1 ZINC000425406205 304963122 /nfs/dbraw/zinc/96/31/22/304963122.db2.gz LYIWFPRNKQXOJW-UHFFFAOYSA-N 2 1 345.534 1.772 20 0 EDADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ncn1 ZINC000428294999 305009122 /nfs/dbraw/zinc/00/91/22/305009122.db2.gz ISLNXTWPQYXTJB-IAGOWNOFSA-N 2 1 348.491 1.875 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000428814446 305018292 /nfs/dbraw/zinc/01/82/92/305018292.db2.gz RYMYHRXCFIMBQO-HKUYNNGSSA-N 2 1 332.444 1.258 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000428814446 305018293 /nfs/dbraw/zinc/01/82/93/305018293.db2.gz RYMYHRXCFIMBQO-HKUYNNGSSA-N 2 1 332.444 1.258 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000428814446 305018294 /nfs/dbraw/zinc/01/82/94/305018294.db2.gz RYMYHRXCFIMBQO-HKUYNNGSSA-N 2 1 332.444 1.258 20 0 EDADMP COC(=O)[C@@]1(c2ccccc2)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000428814446 305018295 /nfs/dbraw/zinc/01/82/95/305018295.db2.gz RYMYHRXCFIMBQO-HKUYNNGSSA-N 2 1 332.444 1.258 20 0 EDADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000428950634 305020787 /nfs/dbraw/zinc/02/07/87/305020787.db2.gz GBXKSZIRDKLFEZ-VQIMIIECSA-N 2 1 344.503 1.552 20 0 EDADMP O=C(C[N@H+]1CCOC[C@@H](C2CCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000429007391 305022279 /nfs/dbraw/zinc/02/22/79/305022279.db2.gz JTQKGTRCASSPBQ-INIZCTEOSA-N 2 1 335.492 1.478 20 0 EDADMP CC(C)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000431512423 305078517 /nfs/dbraw/zinc/07/85/17/305078517.db2.gz OSRCNXNWKCLSCH-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000431512423 305078518 /nfs/dbraw/zinc/07/85/18/305078518.db2.gz OSRCNXNWKCLSCH-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433385363 305107143 /nfs/dbraw/zinc/10/71/43/305107143.db2.gz XWQRAPYSPPCXDK-QLFBSQMISA-N 2 1 334.468 1.195 20 0 EDADMP Cc1cccc(NCCNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)[nH+]1 ZINC000433869913 305114211 /nfs/dbraw/zinc/11/42/11/305114211.db2.gz OGHMKGQMYPZZDS-UHFFFAOYSA-N 2 1 348.472 1.842 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000434398248 305121763 /nfs/dbraw/zinc/12/17/63/305121763.db2.gz ZVSSMUBMWFOTKY-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000434398248 305121764 /nfs/dbraw/zinc/12/17/64/305121764.db2.gz ZVSSMUBMWFOTKY-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000434398248 305121765 /nfs/dbraw/zinc/12/17/65/305121765.db2.gz ZVSSMUBMWFOTKY-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000434398248 305121766 /nfs/dbraw/zinc/12/17/66/305121766.db2.gz ZVSSMUBMWFOTKY-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000436051382 305151381 /nfs/dbraw/zinc/15/13/81/305151381.db2.gz AVVZWWDSWDLWJU-KRWDZBQOSA-N 2 1 331.460 1.484 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438888829 305190588 /nfs/dbraw/zinc/19/05/88/305190588.db2.gz XFWORBFBAHBDDC-INIZCTEOSA-N 2 1 332.448 1.122 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000441307355 305220555 /nfs/dbraw/zinc/22/05/55/305220555.db2.gz VNMHKGFLUODYTJ-HZPDHXFCSA-N 2 1 340.512 1.611 20 0 EDADMP CCOC1CC(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)(N2CCOCC2)C1 ZINC000447566119 305282344 /nfs/dbraw/zinc/28/23/44/305282344.db2.gz QMBBUWYOMQZPSI-ZLZJIPBDSA-N 2 1 325.497 1.186 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448260481 305294907 /nfs/dbraw/zinc/29/49/07/305294907.db2.gz LZIUMTZUNIJKSK-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448260481 305294908 /nfs/dbraw/zinc/29/49/08/305294908.db2.gz LZIUMTZUNIJKSK-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000449099857 305306570 /nfs/dbraw/zinc/30/65/70/305306570.db2.gz ABZDMCKXGHKFMR-GFCCVEGCSA-N 2 1 337.386 1.240 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000449725584 305318138 /nfs/dbraw/zinc/31/81/38/305318138.db2.gz OBASFRZMVICVCM-SJLPKXTDSA-N 2 1 330.476 1.291 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425894921 447352149 /nfs/dbraw/zinc/35/21/49/447352149.db2.gz HNJGGLSJNHXTRT-QGZVFWFLSA-N 2 1 336.480 1.588 20 0 EDADMP CC(C)CN1CCO[C@H](C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425894921 447352154 /nfs/dbraw/zinc/35/21/54/447352154.db2.gz HNJGGLSJNHXTRT-QGZVFWFLSA-N 2 1 336.480 1.588 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C1 ZINC000414913008 447354690 /nfs/dbraw/zinc/35/46/90/447354690.db2.gz VMVFEWGYEAAUNA-OAHLLOKOSA-N 2 1 346.475 1.535 20 0 EDADMP c1c(C[NH2+]CC2(N3CCCC3)CCOCC2)onc1C1CC[NH2+]CC1 ZINC000425903495 447354839 /nfs/dbraw/zinc/35/48/39/447354839.db2.gz WBPMKWYMKCCISC-UHFFFAOYSA-N 2 1 348.491 1.876 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414931800 447361897 /nfs/dbraw/zinc/36/18/97/447361897.db2.gz UZBGMQMLQAEJJH-INIZCTEOSA-N 2 1 330.432 1.171 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536068427 306019301 /nfs/dbraw/zinc/01/93/01/306019301.db2.gz DVVUOPUWVHGYIL-QWHCGFSZSA-N 2 1 342.399 1.965 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536068427 306019302 /nfs/dbraw/zinc/01/93/02/306019302.db2.gz DVVUOPUWVHGYIL-QWHCGFSZSA-N 2 1 342.399 1.965 20 0 EDADMP C[C@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C1=CC[N@H+](C)CC1 ZINC000540972729 306042746 /nfs/dbraw/zinc/04/27/46/306042746.db2.gz FZFSVZQMUIKSSY-LBPRGKRZSA-N 2 1 342.447 1.415 20 0 EDADMP C[C@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C1=CC[N@@H+](C)CC1 ZINC000540972729 306042747 /nfs/dbraw/zinc/04/27/47/306042747.db2.gz FZFSVZQMUIKSSY-LBPRGKRZSA-N 2 1 342.447 1.415 20 0 EDADMP C[C@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)[NH+]1CCSCC1 ZINC000549730462 306148170 /nfs/dbraw/zinc/14/81/70/306148170.db2.gz IFOCHOWSBGYDOL-OAHLLOKOSA-N 2 1 325.522 1.758 20 0 EDADMP C[C@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)[NH+]1CCSCC1 ZINC000549730462 306148171 /nfs/dbraw/zinc/14/81/71/306148171.db2.gz IFOCHOWSBGYDOL-OAHLLOKOSA-N 2 1 325.522 1.758 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000557133931 306224688 /nfs/dbraw/zinc/22/46/88/306224688.db2.gz HIFHMJJJGDARMS-BZUAXINKSA-N 2 1 326.485 1.160 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000557147281 306225102 /nfs/dbraw/zinc/22/51/02/306225102.db2.gz NAOOVUITHJHSTG-IAGOWNOFSA-N 2 1 331.464 1.612 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000557147281 306225103 /nfs/dbraw/zinc/22/51/03/306225103.db2.gz NAOOVUITHJHSTG-IAGOWNOFSA-N 2 1 331.464 1.612 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000426041724 447384398 /nfs/dbraw/zinc/38/43/98/447384398.db2.gz HCLVUEFWKHZNTE-YCPHGPKFSA-N 2 1 345.553 1.897 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@H+](C2CC2)C1 ZINC000458521331 447399682 /nfs/dbraw/zinc/39/96/82/447399682.db2.gz SSUWCSURXDIARR-YOEHRIQHSA-N 2 1 340.537 1.549 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+](C)C2CCCC2)C[C@@H](C)O1 ZINC000104780667 441207778 /nfs/dbraw/zinc/20/77/78/441207778.db2.gz ZDHSTXKARUNURG-HZPDHXFCSA-N 2 1 340.512 1.659 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000081325650 441254808 /nfs/dbraw/zinc/25/48/08/441254808.db2.gz GFWWCLSCHDMGMS-HNNXBMFYSA-N 2 1 349.479 1.100 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000081325650 441254809 /nfs/dbraw/zinc/25/48/09/441254809.db2.gz GFWWCLSCHDMGMS-HNNXBMFYSA-N 2 1 349.479 1.100 20 0 EDADMP CN(CC[NH+](C)C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000083058670 441348443 /nfs/dbraw/zinc/34/84/43/441348443.db2.gz CXSZQYWZPBFTEW-INIZCTEOSA-N 2 1 347.463 1.162 20 0 EDADMP CN(CC[NH+](C)C)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000083058670 441348447 /nfs/dbraw/zinc/34/84/47/441348447.db2.gz CXSZQYWZPBFTEW-INIZCTEOSA-N 2 1 347.463 1.162 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000063178538 441316712 /nfs/dbraw/zinc/31/67/12/441316712.db2.gz MDIGWHASTYKLSW-ZDUSSCGKSA-N 2 1 340.265 1.736 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000073728648 441347243 /nfs/dbraw/zinc/34/72/43/441347243.db2.gz KLLXGFRQHMAVFL-INIZCTEOSA-N 2 1 329.488 1.886 20 0 EDADMP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000084380839 441396770 /nfs/dbraw/zinc/39/67/70/441396770.db2.gz WEEFVZZFQVVXSZ-CYBMUJFWSA-N 2 1 339.402 1.440 20 0 EDADMP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000084380839 441396771 /nfs/dbraw/zinc/39/67/71/441396771.db2.gz WEEFVZZFQVVXSZ-CYBMUJFWSA-N 2 1 339.402 1.440 20 0 EDADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000106800789 441372266 /nfs/dbraw/zinc/37/22/66/441372266.db2.gz ONYLFKRWNLQMSA-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000106800789 441372270 /nfs/dbraw/zinc/37/22/70/441372270.db2.gz ONYLFKRWNLQMSA-LJQANCHMSA-N 2 1 344.503 1.357 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000085822452 441451829 /nfs/dbraw/zinc/45/18/29/441451829.db2.gz OOZYJIFDXQOTNB-QBPKDAKJSA-N 2 1 341.521 1.074 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000085822452 441451832 /nfs/dbraw/zinc/45/18/32/441451832.db2.gz OOZYJIFDXQOTNB-QBPKDAKJSA-N 2 1 341.521 1.074 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000085822452 441451835 /nfs/dbraw/zinc/45/18/35/441451835.db2.gz OOZYJIFDXQOTNB-QBPKDAKJSA-N 2 1 341.521 1.074 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000111832050 441541752 /nfs/dbraw/zinc/54/17/52/441541752.db2.gz BMMAWXUEZSTYCG-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000066568285 441545221 /nfs/dbraw/zinc/54/52/21/441545221.db2.gz CGLUMQSNJVDFFF-UHFFFAOYSA-N 2 1 344.503 1.890 20 0 EDADMP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835501 441558063 /nfs/dbraw/zinc/55/80/63/441558063.db2.gz CXZUGTXOOPYXRS-BZSNNMDCSA-N 2 1 326.481 1.351 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(CO)CC1 ZINC000076991976 441704904 /nfs/dbraw/zinc/70/49/04/441704904.db2.gz DALBFRMNUANWIS-QFBILLFUSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(CO)CC1 ZINC000076991976 441704908 /nfs/dbraw/zinc/70/49/08/441704908.db2.gz DALBFRMNUANWIS-QFBILLFUSA-N 2 1 345.487 1.470 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000115433626 441740328 /nfs/dbraw/zinc/74/03/28/441740328.db2.gz GFHNHARRYUXWMX-INIZCTEOSA-N 2 1 345.491 1.247 20 0 EDADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000121515524 441723084 /nfs/dbraw/zinc/72/30/84/441723084.db2.gz JXDZXOGBODYRLM-UHFFFAOYSA-N 2 1 348.472 1.728 20 0 EDADMP Cc1cnccc1NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000121766927 441777351 /nfs/dbraw/zinc/77/73/51/441777351.db2.gz VHQRJPRIVNILFJ-UHFFFAOYSA-N 2 1 340.431 1.859 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000139823328 441828159 /nfs/dbraw/zinc/82/81/59/441828159.db2.gz IHRDPYDZMANXIL-SJORKVTESA-N 2 1 344.459 1.429 20 0 EDADMP CCOCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093311488 441875903 /nfs/dbraw/zinc/87/59/03/441875903.db2.gz GNTMLFBSTXSUCY-SJLPKXTDSA-N 2 1 333.476 1.734 20 0 EDADMP CCOCC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093311488 441875909 /nfs/dbraw/zinc/87/59/09/441875909.db2.gz GNTMLFBSTXSUCY-SJLPKXTDSA-N 2 1 333.476 1.734 20 0 EDADMP CCOCC[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093311488 441875912 /nfs/dbraw/zinc/87/59/12/441875912.db2.gz GNTMLFBSTXSUCY-SJLPKXTDSA-N 2 1 333.476 1.734 20 0 EDADMP CCOCC[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093311488 441875917 /nfs/dbraw/zinc/87/59/17/441875917.db2.gz GNTMLFBSTXSUCY-SJLPKXTDSA-N 2 1 333.476 1.734 20 0 EDADMP CN(c1ccccc1C[N@@H+](C)CC(C)(CO)CO)C1CC[NH+](C)CC1 ZINC000093502749 441888299 /nfs/dbraw/zinc/88/82/99/441888299.db2.gz CYARMKURQRMNLX-UHFFFAOYSA-N 2 1 349.519 1.640 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000093821420 441896921 /nfs/dbraw/zinc/89/69/21/441896921.db2.gz RMIWEZCJCAQBJU-SFHVURJKSA-N 2 1 326.444 1.906 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000093821420 441896923 /nfs/dbraw/zinc/89/69/23/441896923.db2.gz RMIWEZCJCAQBJU-SFHVURJKSA-N 2 1 326.444 1.906 20 0 EDADMP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000119322071 441928413 /nfs/dbraw/zinc/92/84/13/441928413.db2.gz LSDZQWMURDOHBC-GUYCJALGSA-N 2 1 344.459 1.369 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000119322071 441928418 /nfs/dbraw/zinc/92/84/18/441928418.db2.gz LSDZQWMURDOHBC-GUYCJALGSA-N 2 1 344.459 1.369 20 0 EDADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000119322071 441928423 /nfs/dbraw/zinc/92/84/23/441928423.db2.gz LSDZQWMURDOHBC-GUYCJALGSA-N 2 1 344.459 1.369 20 0 EDADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000119322071 441928427 /nfs/dbraw/zinc/92/84/27/441928427.db2.gz LSDZQWMURDOHBC-GUYCJALGSA-N 2 1 344.459 1.369 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)c1ccsc1 ZINC000174625773 441946171 /nfs/dbraw/zinc/94/61/71/441946171.db2.gz HPUHCNMYPIUYQK-JKSUJKDBSA-N 2 1 339.505 1.968 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)c1ccsc1 ZINC000174625773 441946174 /nfs/dbraw/zinc/94/61/74/441946174.db2.gz HPUHCNMYPIUYQK-JKSUJKDBSA-N 2 1 339.505 1.968 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000174718691 441957185 /nfs/dbraw/zinc/95/71/85/441957185.db2.gz MIKOBOOOTMIAIN-QGZVFWFLSA-N 2 1 338.540 1.497 20 0 EDADMP CCOC(C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)OCC ZINC000125212784 441997584 /nfs/dbraw/zinc/99/75/84/441997584.db2.gz GTVUAGOSVJPINN-SJPCQFCGSA-N 2 1 325.497 1.628 20 0 EDADMP CCOC(C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)OCC ZINC000125212784 441997590 /nfs/dbraw/zinc/99/75/90/441997590.db2.gz GTVUAGOSVJPINN-SJPCQFCGSA-N 2 1 325.497 1.628 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175236268 442022649 /nfs/dbraw/zinc/02/26/49/442022649.db2.gz TWTFRRSSKOICAY-UHFFFAOYSA-N 2 1 326.485 1.128 20 0 EDADMP Cc1ccc(CNC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000079883055 442094014 /nfs/dbraw/zinc/09/40/14/442094014.db2.gz YWXMQAPQMJTGOZ-UHFFFAOYSA-N 2 1 345.487 1.655 20 0 EDADMP CCC(CC)[C@H](CNC(=O)NCC[N@@H+](C)CC)[NH+]1CCOCC1 ZINC000120733677 442124793 /nfs/dbraw/zinc/12/47/93/442124793.db2.gz BCDWFUMNRGZQNN-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC([NH+](C)CCO)CC2)C1 ZINC000162964400 442134689 /nfs/dbraw/zinc/13/46/89/442134689.db2.gz CULOMXMIYFCVHO-MRXNPFEDSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CCC([N@H+](C)CCO)CC2)C1 ZINC000162964400 442134692 /nfs/dbraw/zinc/13/46/92/442134692.db2.gz CULOMXMIYFCVHO-MRXNPFEDSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CCC([N@@H+](C)CCO)CC2)C1 ZINC000162964400 442134695 /nfs/dbraw/zinc/13/46/95/442134695.db2.gz CULOMXMIYFCVHO-MRXNPFEDSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH+](C)CC1CCC(NC(=O)N2CCC([N@@H+](C)CCO)CC2)CC1 ZINC000164592295 442199580 /nfs/dbraw/zinc/19/95/80/442199580.db2.gz SEIASSYDESGCDH-UHFFFAOYSA-N 2 1 340.512 1.205 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NC[C@@H]3CCC[N@H+]3C)CC2)nc(C)[nH+]1 ZINC000175999128 442159405 /nfs/dbraw/zinc/15/94/05/442159405.db2.gz RVEGQBBDTAKKGU-INIZCTEOSA-N 2 1 346.479 1.456 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)nc(C)[nH+]1 ZINC000175999128 442159409 /nfs/dbraw/zinc/15/94/09/442159409.db2.gz RVEGQBBDTAKKGU-INIZCTEOSA-N 2 1 346.479 1.456 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000120968551 442159609 /nfs/dbraw/zinc/15/96/09/442159609.db2.gz FEELTYLXFXPDFQ-IBGZPJMESA-N 2 1 345.487 1.914 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C3CC[NH2+]CC3)c2)CCO1 ZINC000166121209 442214054 /nfs/dbraw/zinc/21/40/54/442214054.db2.gz WBFBVPGFFLICKN-OAHLLOKOSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C3CC[NH2+]CC3)c2)CCO1 ZINC000166121209 442214059 /nfs/dbraw/zinc/21/40/59/442214059.db2.gz WBFBVPGFFLICKN-OAHLLOKOSA-N 2 1 331.460 1.523 20 0 EDADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@H]1CCC[NH2+]C1)CC2 ZINC000166528430 442217103 /nfs/dbraw/zinc/21/71/03/442217103.db2.gz BTIBMCBRURSQSF-HNNXBMFYSA-N 2 1 347.459 1.178 20 0 EDADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@H]1CCC[NH2+]C1)CC2 ZINC000166528430 442217105 /nfs/dbraw/zinc/21/71/05/442217105.db2.gz BTIBMCBRURSQSF-HNNXBMFYSA-N 2 1 347.459 1.178 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000152545659 442224862 /nfs/dbraw/zinc/22/48/62/442224862.db2.gz DRWWJDRGUAWZBA-HKUYNNGSSA-N 2 1 333.476 1.327 20 0 EDADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000152611139 442230763 /nfs/dbraw/zinc/23/07/63/442230763.db2.gz SRSHNOCSFYPLMB-INIZCTEOSA-N 2 1 339.505 1.749 20 0 EDADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000152611139 442230766 /nfs/dbraw/zinc/23/07/66/442230766.db2.gz SRSHNOCSFYPLMB-INIZCTEOSA-N 2 1 339.505 1.749 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000130567025 442349580 /nfs/dbraw/zinc/34/95/80/442349580.db2.gz BWDYTONEQJXEJV-UHFFFAOYSA-N 2 1 344.375 1.795 20 0 EDADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C[N@@H+](C)[C@@H]2CCSC2)o1 ZINC000155128926 442377260 /nfs/dbraw/zinc/37/72/60/442377260.db2.gz RGTREXXQECXWPF-OAHLLOKOSA-N 2 1 339.505 1.916 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H]1C ZINC000177903297 442394463 /nfs/dbraw/zinc/39/44/63/442394463.db2.gz YGHAPFYWCVDUNK-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H]1C ZINC000177903297 442394466 /nfs/dbraw/zinc/39/44/66/442394466.db2.gz YGHAPFYWCVDUNK-IAGOWNOFSA-N 2 1 337.508 1.868 20 0 EDADMP CC[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000130939043 442360278 /nfs/dbraw/zinc/36/02/78/442360278.db2.gz YURNZMUKTKQXKA-FHWLQOOXSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000130939043 442360279 /nfs/dbraw/zinc/36/02/79/442360279.db2.gz YURNZMUKTKQXKA-FHWLQOOXSA-N 2 1 345.487 1.782 20 0 EDADMP COc1cc(C)c([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000178668464 442454487 /nfs/dbraw/zinc/45/44/87/442454487.db2.gz LYXSYKKVZZQCCH-OAHLLOKOSA-N 2 1 349.475 1.827 20 0 EDADMP COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)CC3CC[NH2+]CC3)C2=O)c1 ZINC000178976496 442543163 /nfs/dbraw/zinc/54/31/63/442543163.db2.gz NKIKIXUOGKYMQI-GOSISDBHSA-N 2 1 347.459 1.741 20 0 EDADMP COC(=O)C1CCC([NH2+]CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000192441878 442646356 /nfs/dbraw/zinc/64/63/56/442646356.db2.gz TVAXTZUCLYXNNZ-UHFFFAOYSA-N 2 1 325.497 1.581 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)[C@H](C)C1 ZINC000180732802 442653712 /nfs/dbraw/zinc/65/37/12/442653712.db2.gz YHGLLEYRHSJRDA-NVXWUHKLSA-N 2 1 325.497 1.772 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)[C@H](C)C1 ZINC000180732802 442653714 /nfs/dbraw/zinc/65/37/14/442653714.db2.gz YHGLLEYRHSJRDA-NVXWUHKLSA-N 2 1 325.497 1.772 20 0 EDADMP COCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192515071 442656559 /nfs/dbraw/zinc/65/65/59/442656559.db2.gz BFXWYHSBIOLXNE-UHFFFAOYSA-N 2 1 335.473 1.800 20 0 EDADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000192231278 442619453 /nfs/dbraw/zinc/61/94/53/442619453.db2.gz BRJSNWLSTKNBLC-MSOLQXFVSA-N 2 1 333.476 1.734 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000187149941 442657297 /nfs/dbraw/zinc/65/72/97/442657297.db2.gz KMWOPPMZUTXJFY-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000187149941 442657301 /nfs/dbraw/zinc/65/73/01/442657301.db2.gz KMWOPPMZUTXJFY-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000187149941 442657307 /nfs/dbraw/zinc/65/73/07/442657307.db2.gz KMWOPPMZUTXJFY-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP COCCO[C@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192780202 442685700 /nfs/dbraw/zinc/68/57/00/442685700.db2.gz ZIZREXTWZOJGIF-SFHVURJKSA-N 2 1 327.513 1.530 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCC(N)=O ZINC000193012247 442705268 /nfs/dbraw/zinc/70/52/68/442705268.db2.gz XNNTZDCEVKTTNO-HUUCEWRRSA-N 2 1 333.432 1.276 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCC(N)=O ZINC000193012247 442705271 /nfs/dbraw/zinc/70/52/71/442705271.db2.gz XNNTZDCEVKTTNO-HUUCEWRRSA-N 2 1 333.432 1.276 20 0 EDADMP C[NH+](C[C@@H]1CCCOC1)CC1(C[N@@H+](C)C[C@@H]2CCCOC2)COC1 ZINC000182157874 442740863 /nfs/dbraw/zinc/74/08/63/442740863.db2.gz XCILETWLKUDQDI-ROUUACIJSA-N 2 1 340.508 1.720 20 0 EDADMP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)ncn1 ZINC000246497507 442786755 /nfs/dbraw/zinc/78/67/55/442786755.db2.gz SKLVSHHZLSPFBK-QKPAOTATSA-N 3 1 332.496 1.805 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182596745 442792584 /nfs/dbraw/zinc/79/25/84/442792584.db2.gz WAFUGNLRFVHLBK-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182596745 442792590 /nfs/dbraw/zinc/79/25/90/442792590.db2.gz WAFUGNLRFVHLBK-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182596745 442792594 /nfs/dbraw/zinc/79/25/94/442792594.db2.gz WAFUGNLRFVHLBK-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000193846988 442798181 /nfs/dbraw/zinc/79/81/81/442798181.db2.gz VHLMZZKBDKWWLV-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C[C@H]1C ZINC000246698933 442805499 /nfs/dbraw/zinc/80/54/99/442805499.db2.gz WCHSHBRRRNZMNQ-SJORKVTESA-N 2 1 345.487 1.221 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C[C@H]1C ZINC000246698933 442805501 /nfs/dbraw/zinc/80/55/01/442805501.db2.gz WCHSHBRRRNZMNQ-SJORKVTESA-N 2 1 345.487 1.221 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188768663 442809076 /nfs/dbraw/zinc/80/90/76/442809076.db2.gz DCAASZPKNXQBQM-ZDUSSCGKSA-N 2 1 333.480 1.686 20 0 EDADMP COc1cccc([C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)c1 ZINC000246869168 442818858 /nfs/dbraw/zinc/81/88/58/442818858.db2.gz GAIMXYPGHCHBJW-MSOLQXFVSA-N 2 1 347.459 1.279 20 0 EDADMP COc1cccc([C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)c1 ZINC000246869168 442818863 /nfs/dbraw/zinc/81/88/63/442818863.db2.gz GAIMXYPGHCHBJW-MSOLQXFVSA-N 2 1 347.459 1.279 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247310207 442846877 /nfs/dbraw/zinc/84/68/77/442846877.db2.gz VIQPPEGQLJFUOC-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247310207 442846881 /nfs/dbraw/zinc/84/68/81/442846881.db2.gz VIQPPEGQLJFUOC-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)C[NH+]1CCOCC1 ZINC000265679489 442876774 /nfs/dbraw/zinc/87/67/74/442876774.db2.gz DNTGDYSJDSXSLS-QGZVFWFLSA-N 2 1 345.487 1.981 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CCOCC2)cc1 ZINC000183146070 442889448 /nfs/dbraw/zinc/88/94/48/442889448.db2.gz QRQMMADYHPXFLE-CQSZACIVSA-N 2 1 328.416 1.690 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000268255447 442919478 /nfs/dbraw/zinc/91/94/78/442919478.db2.gz XXKMDSAFELVDOB-WMLDXEAASA-N 2 1 331.460 1.840 20 0 EDADMP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000265909028 442965804 /nfs/dbraw/zinc/96/58/04/442965804.db2.gz QJSUMPJXDSHNRG-SFHVURJKSA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000265909028 442965810 /nfs/dbraw/zinc/96/58/10/442965810.db2.gz QJSUMPJXDSHNRG-SFHVURJKSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000265909028 442965814 /nfs/dbraw/zinc/96/58/14/442965814.db2.gz QJSUMPJXDSHNRG-SFHVURJKSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000265909028 442965819 /nfs/dbraw/zinc/96/58/19/442965819.db2.gz QJSUMPJXDSHNRG-SFHVURJKSA-N 2 1 331.460 1.488 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000195125154 442985227 /nfs/dbraw/zinc/98/52/27/442985227.db2.gz OKMNGYBWBZRMLU-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCN2C(=O)CNC2=O)cc1 ZINC000183682560 442952500 /nfs/dbraw/zinc/95/25/00/442952500.db2.gz CZRCOJBTGGRJKD-CYBMUJFWSA-N 2 1 341.415 1.773 20 0 EDADMP CS[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH+](C)C ZINC000295518768 318649231 /nfs/dbraw/zinc/64/92/31/318649231.db2.gz MFACIHWTDUUWIS-HUUCEWRRSA-N 2 1 331.445 1.385 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000252348597 443022463 /nfs/dbraw/zinc/02/24/63/443022463.db2.gz CUPYJADLOFPAFK-QZTJIDSGSA-N 2 1 332.492 1.800 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCCNS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000268752413 443098031 /nfs/dbraw/zinc/09/80/31/443098031.db2.gz KDICLWIYLIXQQG-NVXWUHKLSA-N 2 1 339.505 1.568 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCCNS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000268752413 443098036 /nfs/dbraw/zinc/09/80/36/443098036.db2.gz KDICLWIYLIXQQG-NVXWUHKLSA-N 2 1 339.505 1.568 20 0 EDADMP CNS(=O)(=O)CC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000190312088 443083815 /nfs/dbraw/zinc/08/38/15/443083815.db2.gz UCLWTBXNCKEUGF-UHFFFAOYSA-N 2 1 327.494 1.283 20 0 EDADMP CNS(=O)(=O)CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000190312088 443083819 /nfs/dbraw/zinc/08/38/19/443083819.db2.gz UCLWTBXNCKEUGF-UHFFFAOYSA-N 2 1 327.494 1.283 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000185086054 443133907 /nfs/dbraw/zinc/13/39/07/443133907.db2.gz GNPVTTYKDVMCSJ-QGZVFWFLSA-N 2 1 339.528 1.188 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000268878625 443135083 /nfs/dbraw/zinc/13/50/83/443135083.db2.gz XCVFFGVLKNYUOZ-FUHWJXTLSA-N 3 1 335.492 1.734 20 0 EDADMP CCC(CC)[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000236689066 443144178 /nfs/dbraw/zinc/14/41/78/443144178.db2.gz MJVJXGIQGGSUCL-IRXDYDNUSA-N 2 1 341.496 1.008 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000236708755 443145639 /nfs/dbraw/zinc/14/56/39/443145639.db2.gz LBUIGHQJOOVDDE-KRWDZBQOSA-N 2 1 325.497 1.726 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CC1(O)CCCC1)c1ccccc1 ZINC000184989524 443112695 /nfs/dbraw/zinc/11/26/95/443112695.db2.gz JIZDMJBTROIIPL-QGZVFWFLSA-N 2 1 333.476 1.642 20 0 EDADMP C(Cc1nnc2n1CCCCC2)[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261845120 443171911 /nfs/dbraw/zinc/17/19/11/443171911.db2.gz AQLKSUJIBCTNAI-ARFHVFGLSA-N 2 1 333.480 1.294 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H](C)O1 ZINC000237611343 443177441 /nfs/dbraw/zinc/17/74/41/443177441.db2.gz DTULDOZTJJVOJU-DAYGRLMNSA-N 2 1 331.460 1.489 20 0 EDADMP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000262049194 443181205 /nfs/dbraw/zinc/18/12/05/443181205.db2.gz UVDHDBPIGIXYBE-OAHLLOKOSA-N 2 1 345.834 1.496 20 0 EDADMP C[C@@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000269226759 443240272 /nfs/dbraw/zinc/24/02/72/443240272.db2.gz AKFCCYKINJSXRR-CRAIPNDOSA-N 2 1 330.432 1.074 20 0 EDADMP C[C@@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000269226759 443240276 /nfs/dbraw/zinc/24/02/76/443240276.db2.gz AKFCCYKINJSXRR-CRAIPNDOSA-N 2 1 330.432 1.074 20 0 EDADMP COCC[NH2+]CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000262643126 443205862 /nfs/dbraw/zinc/20/58/62/443205862.db2.gz MBRMKRCGWMUDMF-MNZLEMJZSA-N 2 1 333.476 1.495 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000350935207 319080229 /nfs/dbraw/zinc/08/02/29/319080229.db2.gz VVFDELZCCDTISZ-OAHLLOKOSA-N 2 1 349.479 1.712 20 0 EDADMP C[C@H](CCn1cccn1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000354092948 319107701 /nfs/dbraw/zinc/10/77/01/319107701.db2.gz PFQAZGAVMBXFKS-MJGOQNOKSA-N 2 1 328.460 1.888 20 0 EDADMP C[C@H](CCn1cccn1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000354092948 319107703 /nfs/dbraw/zinc/10/77/03/319107703.db2.gz PFQAZGAVMBXFKS-MJGOQNOKSA-N 2 1 328.460 1.888 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000382653032 319124553 /nfs/dbraw/zinc/12/45/53/319124553.db2.gz BYEGJNSHFODILV-MJGOQNOKSA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000382653032 319124556 /nfs/dbraw/zinc/12/45/56/319124556.db2.gz BYEGJNSHFODILV-MJGOQNOKSA-N 2 1 335.492 1.132 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000382653032 319124557 /nfs/dbraw/zinc/12/45/57/319124557.db2.gz BYEGJNSHFODILV-MJGOQNOKSA-N 2 1 335.492 1.132 20 0 EDADMP CC(C)n1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000397581064 319135373 /nfs/dbraw/zinc/13/53/73/319135373.db2.gz FZISZEZFBPWAKL-UHFFFAOYSA-N 2 1 343.475 1.976 20 0 EDADMP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)[NH3+] ZINC000399546025 319137546 /nfs/dbraw/zinc/13/75/46/319137546.db2.gz YOWFKOMMJGYSIO-CRAIPNDOSA-N 2 1 333.476 1.754 20 0 EDADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185758546 443252389 /nfs/dbraw/zinc/25/23/89/443252389.db2.gz KBTIPEZRJOCXDD-CVYDXHPNSA-N 2 1 337.508 1.913 20 0 EDADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185758546 443252394 /nfs/dbraw/zinc/25/23/94/443252394.db2.gz KBTIPEZRJOCXDD-CVYDXHPNSA-N 2 1 337.508 1.913 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCO)[C@H]2CC[C@H](C)C2)CC1 ZINC000411645936 319191285 /nfs/dbraw/zinc/19/12/85/319191285.db2.gz LSRIYJRFHMIRSO-RDJZCZTQSA-N 2 1 325.497 1.458 20 0 EDADMP C[C@@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[N@@H+](C)C1CC1 ZINC000411989409 319219390 /nfs/dbraw/zinc/21/93/90/319219390.db2.gz WVWHQQMVLJTPQL-XJKSGUPXSA-N 2 1 325.522 1.803 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2)C1 ZINC000269261956 443256317 /nfs/dbraw/zinc/25/63/17/443256317.db2.gz WNTGEHKTXRVIKP-RDJZCZTQSA-N 2 1 344.459 1.465 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000413827990 319292752 /nfs/dbraw/zinc/29/27/52/319292752.db2.gz COENWQMTPLOUGU-INIZCTEOSA-N 2 1 336.455 1.993 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCOC[C@H]2Cc2ccccc2)C1 ZINC000414679206 319340835 /nfs/dbraw/zinc/34/08/35/319340835.db2.gz RHSBMTXLANEGBC-QZTJIDSGSA-N 2 1 331.460 1.127 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415234294 319354783 /nfs/dbraw/zinc/35/47/83/319354783.db2.gz XUHQOHPOTFQNGX-UONOGXRCSA-N 2 1 334.464 1.881 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415236384 319355094 /nfs/dbraw/zinc/35/50/94/319355094.db2.gz FLGVBGZHWRXMDP-AWEZNQCLSA-N 2 1 334.464 1.581 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H](C[NH2+]C)C3)c2C1 ZINC000415388098 319363178 /nfs/dbraw/zinc/36/31/78/319363178.db2.gz CSGJTFOKCFUEJV-AWEZNQCLSA-N 2 1 344.459 1.419 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H](C[NH2+]C)C3)c2C1 ZINC000415388098 319363179 /nfs/dbraw/zinc/36/31/79/319363179.db2.gz CSGJTFOKCFUEJV-AWEZNQCLSA-N 2 1 344.459 1.419 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000415904581 319383185 /nfs/dbraw/zinc/38/31/85/319383185.db2.gz GMXLRTHHISEHTF-CABCVRRESA-N 2 1 334.464 1.715 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CN(C)CCO3)cc2)C1 ZINC000266926186 443292022 /nfs/dbraw/zinc/29/20/22/443292022.db2.gz QZJKWDCNWVDENT-MAUKXSAKSA-N 2 1 347.459 1.676 20 0 EDADMP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3C[NH+](C)CCO3)cc2)C1 ZINC000266926186 443292025 /nfs/dbraw/zinc/29/20/25/443292025.db2.gz QZJKWDCNWVDENT-MAUKXSAKSA-N 2 1 347.459 1.676 20 0 EDADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3C[NH+](C)CCO3)cc2)C1 ZINC000266926186 443292030 /nfs/dbraw/zinc/29/20/30/443292030.db2.gz QZJKWDCNWVDENT-MAUKXSAKSA-N 2 1 347.459 1.676 20 0 EDADMP C[C@H]1CC[NH+](CCOc2ccc(NC(=O)[C@H]3C[N@H+](C)CCO3)cc2)C1 ZINC000266926186 443292034 /nfs/dbraw/zinc/29/20/34/443292034.db2.gz QZJKWDCNWVDENT-MAUKXSAKSA-N 2 1 347.459 1.676 20 0 EDADMP C[C@H]1CC[NH+](CCOc2ccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)C1 ZINC000266926186 443292036 /nfs/dbraw/zinc/29/20/36/443292036.db2.gz QZJKWDCNWVDENT-MAUKXSAKSA-N 2 1 347.459 1.676 20 0 EDADMP CC[NH+](CC)CCNC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000416806809 319462014 /nfs/dbraw/zinc/46/20/14/319462014.db2.gz ZWXUNDQGNPOYQP-MRXNPFEDSA-N 2 1 334.464 1.693 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)N(C)CCCn1cc[nH+]c1C ZINC000269519660 443334184 /nfs/dbraw/zinc/33/41/84/443334184.db2.gz VNPCGWBTPIYJLV-UHFFFAOYSA-N 2 1 325.457 1.191 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N(C)CCCn1cc[nH+]c1C ZINC000269519660 443334188 /nfs/dbraw/zinc/33/41/88/443334188.db2.gz VNPCGWBTPIYJLV-UHFFFAOYSA-N 2 1 325.457 1.191 20 0 EDADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(=O)NC(N)=O ZINC000282560357 443375150 /nfs/dbraw/zinc/37/51/50/443375150.db2.gz UFSSJPMVLVPPQW-INIZCTEOSA-N 2 1 346.475 1.852 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(=O)NC(N)=O ZINC000282560357 443375155 /nfs/dbraw/zinc/37/51/55/443375155.db2.gz UFSSJPMVLVPPQW-INIZCTEOSA-N 2 1 346.475 1.852 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000419045043 319546707 /nfs/dbraw/zinc/54/67/07/319546707.db2.gz VMRLZTIUMYVTCZ-QWHCGFSZSA-N 2 1 343.431 1.069 20 0 EDADMP CN(CCOc1ccccc1F)C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420367974 319611071 /nfs/dbraw/zinc/61/10/71/319611071.db2.gz SWTSJLHBAJETEY-INIZCTEOSA-N 2 1 337.439 1.641 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000264793791 443427983 /nfs/dbraw/zinc/42/79/83/443427983.db2.gz RVZRIVXUJVRXGA-INIZCTEOSA-N 2 1 340.431 1.565 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000264793791 443427988 /nfs/dbraw/zinc/42/79/88/443427988.db2.gz RVZRIVXUJVRXGA-INIZCTEOSA-N 2 1 340.431 1.565 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]Cc2nn(C)cc2Cl)CC[NH2+]CC1 ZINC000423160215 319753093 /nfs/dbraw/zinc/75/30/93/319753093.db2.gz ZGIJXFUVXFIBRO-NSHDSACASA-N 2 1 328.844 1.485 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423405255 319772080 /nfs/dbraw/zinc/77/20/80/319772080.db2.gz SYWKMEATUPUVTR-VNHYZAJKSA-N 2 1 325.478 1.599 20 0 EDADMP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CCn1cncn1)CC2 ZINC000283144636 443538973 /nfs/dbraw/zinc/53/89/73/443538973.db2.gz ODPJXKIENDLICU-AWEZNQCLSA-N 2 1 332.477 1.721 20 0 EDADMP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CCn1cncn1)CC2 ZINC000283144636 443538978 /nfs/dbraw/zinc/53/89/78/443538978.db2.gz ODPJXKIENDLICU-AWEZNQCLSA-N 2 1 332.477 1.721 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000272299254 443585204 /nfs/dbraw/zinc/58/52/04/443585204.db2.gz QINYTIOFIHIZBG-RYQLBKOJSA-N 2 1 330.476 1.171 20 0 EDADMP NC(=O)COc1cccc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425904273 319875287 /nfs/dbraw/zinc/87/52/87/319875287.db2.gz XWOKLFKVOHBGRK-UHFFFAOYSA-N 2 1 344.415 1.296 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCCCn2ccnc2)C1 ZINC000283158859 443543702 /nfs/dbraw/zinc/54/37/02/443543702.db2.gz FTSZRNFAMQOPCS-INIZCTEOSA-N 2 1 349.479 1.018 20 0 EDADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433139117 319971151 /nfs/dbraw/zinc/97/11/51/319971151.db2.gz VQVGCIFZIGUNRY-QGZVFWFLSA-N 3 1 333.480 1.386 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)C1(C)C ZINC000444191393 320119700 /nfs/dbraw/zinc/11/97/00/320119700.db2.gz XJKTVBQIPCTLCR-ADAWSYLGSA-N 2 1 325.497 1.898 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000447442905 320142071 /nfs/dbraw/zinc/14/20/71/320142071.db2.gz SUHSFLPLCBFQHX-MSOLQXFVSA-N 2 1 347.503 1.939 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000457628277 320331923 /nfs/dbraw/zinc/33/19/23/320331923.db2.gz ANBYURDRPMCWLP-UHFFFAOYSA-N 2 1 341.544 1.432 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCC[C@@H](C)C1 ZINC000457724542 320333520 /nfs/dbraw/zinc/33/35/20/320333520.db2.gz YTUCKYIFEXHHDK-BRWVUGGUSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000457724542 320333521 /nfs/dbraw/zinc/33/35/21/320333521.db2.gz YTUCKYIFEXHHDK-BRWVUGGUSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000457724542 320333522 /nfs/dbraw/zinc/33/35/22/320333522.db2.gz YTUCKYIFEXHHDK-BRWVUGGUSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1CCCC[C@H]1C ZINC000457724560 320333648 /nfs/dbraw/zinc/33/36/48/320333648.db2.gz ZANORGKDIKHMFQ-IXDOHACOSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH+]1CCCO)[N@@H+]1CCCC[C@H]1C ZINC000457724560 320333649 /nfs/dbraw/zinc/33/36/49/320333649.db2.gz ZANORGKDIKHMFQ-IXDOHACOSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH+]1CCCO)[N@H+]1CCCC[C@H]1C ZINC000457724560 320333650 /nfs/dbraw/zinc/33/36/50/320333650.db2.gz ZANORGKDIKHMFQ-IXDOHACOSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@H+](C2CC2)C1 ZINC000458708555 320338889 /nfs/dbraw/zinc/33/88/89/320338889.db2.gz RIAWEAKUVNCCGV-HNNXBMFYSA-N 2 1 334.508 1.987 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCCOCC2)C[C@@H]1C ZINC000458853126 320343243 /nfs/dbraw/zinc/34/32/43/320343243.db2.gz WFKXBGUIVLRNLZ-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCCOCC2)C[C@@H]1C ZINC000458853126 320343244 /nfs/dbraw/zinc/34/32/44/320343244.db2.gz WFKXBGUIVLRNLZ-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCCOCC2)C[C@@H]1C ZINC000458853126 320343245 /nfs/dbraw/zinc/34/32/45/320343245.db2.gz WFKXBGUIVLRNLZ-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000459808081 320349714 /nfs/dbraw/zinc/34/97/14/320349714.db2.gz RTXDONCHWRIICW-HUUCEWRRSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000489330996 320359096 /nfs/dbraw/zinc/35/90/96/320359096.db2.gz PSYFCOJTJOUBBL-MHORFTMASA-N 2 1 339.524 1.919 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCN(C)[C@H](C(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000489330996 320359097 /nfs/dbraw/zinc/35/90/97/320359097.db2.gz PSYFCOJTJOUBBL-MHORFTMASA-N 2 1 339.524 1.919 20 0 EDADMP Cn1nccc1/C=C/C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000491199813 320366559 /nfs/dbraw/zinc/36/65/59/320366559.db2.gz LAIHZEJXHZQXND-ONEGZZNKSA-N 2 1 326.404 1.219 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(CCc2c(C)nc3sccn3c2=O)C1 ZINC000286297856 443685390 /nfs/dbraw/zinc/68/53/90/443685390.db2.gz GJPUGAOJEWNONQ-CQSZACIVSA-N 2 1 334.489 1.881 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](CCc2c(C)nc3sccn3c2=O)C1 ZINC000286297856 443685393 /nfs/dbraw/zinc/68/53/93/443685393.db2.gz GJPUGAOJEWNONQ-CQSZACIVSA-N 2 1 334.489 1.881 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2c(C)nc3sccn3c2=O)C1 ZINC000286297856 443685396 /nfs/dbraw/zinc/68/53/96/443685396.db2.gz GJPUGAOJEWNONQ-CQSZACIVSA-N 2 1 334.489 1.881 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2c(C)nc3sccn3c2=O)C1 ZINC000286297856 443685400 /nfs/dbraw/zinc/68/54/00/443685400.db2.gz GJPUGAOJEWNONQ-CQSZACIVSA-N 2 1 334.489 1.881 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2c(C)nc3sccn3c2=O)C1 ZINC000286297856 443685402 /nfs/dbraw/zinc/68/54/02/443685402.db2.gz GJPUGAOJEWNONQ-CQSZACIVSA-N 2 1 334.489 1.881 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000298794519 443870664 /nfs/dbraw/zinc/87/06/64/443870664.db2.gz UIUTXJBJWDHKJX-QGZVFWFLSA-N 2 1 335.492 1.970 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)cn2cc[nH+]c12 ZINC000293098368 443924507 /nfs/dbraw/zinc/92/45/07/443924507.db2.gz RSFNBACAVSSLLK-HNNXBMFYSA-N 2 1 345.447 1.674 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)NCCCNc2ccccn2)CC1(C)C ZINC000281620679 443960617 /nfs/dbraw/zinc/96/06/17/443960617.db2.gz HNFVDNVMDMQCGQ-UHFFFAOYSA-N 2 1 348.495 1.209 20 0 EDADMP CCOC(=O)CCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285406611 443973862 /nfs/dbraw/zinc/97/38/62/443973862.db2.gz BDZCONKWBWTJMS-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP CCOC(=O)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285406611 443973866 /nfs/dbraw/zinc/97/38/66/443973866.db2.gz BDZCONKWBWTJMS-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000299246403 443994277 /nfs/dbraw/zinc/99/42/77/443994277.db2.gz MRUJYSCVDAQCHX-MRXNPFEDSA-N 2 1 334.464 1.980 20 0 EDADMP Cc1cc(N2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000561270492 321038562 /nfs/dbraw/zinc/03/85/62/321038562.db2.gz RDLWOAJFALWKRR-CYBMUJFWSA-N 2 1 331.464 1.520 20 0 EDADMP Cc1cc(N2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000561270492 321038563 /nfs/dbraw/zinc/03/85/63/321038563.db2.gz RDLWOAJFALWKRR-CYBMUJFWSA-N 2 1 331.464 1.520 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@@H]3CCC[NH2+]C3)c2)CCO1 ZINC000562803400 321077017 /nfs/dbraw/zinc/07/70/17/321077017.db2.gz WEFHJONWMNOMBJ-MAUKXSAKSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@@H]3CCC[NH2+]C3)c2)CCO1 ZINC000562803400 321077019 /nfs/dbraw/zinc/07/70/19/321077019.db2.gz WEFHJONWMNOMBJ-MAUKXSAKSA-N 2 1 346.475 1.459 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)[C@H]2CCCC[NH2+]2)c2cccs2)CC1 ZINC000565040766 321165732 /nfs/dbraw/zinc/16/57/32/321165732.db2.gz WZGAXTZTYPDRTI-HUUCEWRRSA-N 2 1 336.505 1.295 20 0 EDADMP C[NH+](C)CCCCC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000566907838 321236003 /nfs/dbraw/zinc/23/60/03/321236003.db2.gz UWNAODLOLQWPRI-LJQANCHMSA-N 2 1 347.503 1.991 20 0 EDADMP CCC[C@@H](O)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000568661067 321301218 /nfs/dbraw/zinc/30/12/18/321301218.db2.gz FDLLNBHEUFWZTG-QGZVFWFLSA-N 2 1 325.497 1.460 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccn3C)CC2)CC1 ZINC000569256905 321323357 /nfs/dbraw/zinc/32/33/57/321323357.db2.gz ODAHITSUFKSXEP-UHFFFAOYSA-N 2 1 332.492 1.838 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000570028723 321334703 /nfs/dbraw/zinc/33/47/03/321334703.db2.gz LAWLQNOXWVKJPF-SOUVJXGZSA-N 2 1 326.485 1.316 20 0 EDADMP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000570509848 321343599 /nfs/dbraw/zinc/34/35/99/321343599.db2.gz OWTINYDDQFQSHX-WMZOPIPTSA-N 2 1 334.460 1.950 20 0 EDADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000570616760 321350016 /nfs/dbraw/zinc/35/00/16/321350016.db2.gz HKEBMVUXHZKKAO-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000570616760 321350017 /nfs/dbraw/zinc/35/00/17/321350017.db2.gz HKEBMVUXHZKKAO-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP COc1cccc(NC(=O)CN(C)CCC[N@@H+](C)CCN(C)C)c1 ZINC000289515150 444163052 /nfs/dbraw/zinc/16/30/52/444163052.db2.gz VHQARTKYPYHOGR-UHFFFAOYSA-N 2 1 336.480 1.449 20 0 EDADMP COc1cccc(NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000289515150 444163058 /nfs/dbraw/zinc/16/30/58/444163058.db2.gz VHQARTKYPYHOGR-UHFFFAOYSA-N 2 1 336.480 1.449 20 0 EDADMP COc1cccc(NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000289515150 444163062 /nfs/dbraw/zinc/16/30/62/444163062.db2.gz VHQARTKYPYHOGR-UHFFFAOYSA-N 2 1 336.480 1.449 20 0 EDADMP CN(C)c1ncccc1O[C@@H]1CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000289393101 444128228 /nfs/dbraw/zinc/12/82/28/444128228.db2.gz REQPYKWDMURFQD-NWDGAFQWSA-N 2 1 333.354 1.914 20 0 EDADMP CN(C)c1ncccc1O[C@@H]1CCN(C[C@@H](O)CC(F)(F)F)C1 ZINC000289393101 444128231 /nfs/dbraw/zinc/12/82/31/444128231.db2.gz REQPYKWDMURFQD-NWDGAFQWSA-N 2 1 333.354 1.914 20 0 EDADMP COCCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000295749639 444192464 /nfs/dbraw/zinc/19/24/64/444192464.db2.gz NPLBPNFOQMWXHD-UHOSZYNNSA-N 2 1 336.476 1.511 20 0 EDADMP C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)[NH+]1CCCCCC1 ZINC000305144217 444260987 /nfs/dbraw/zinc/26/09/87/444260987.db2.gz XOOYFYLBRAUFLS-DLBZAZTESA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000297020167 444268679 /nfs/dbraw/zinc/26/86/79/444268679.db2.gz IBOQEEZKFOFPGG-SFHVURJKSA-N 2 1 348.491 1.394 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCCC[C@H]4CO)ncn3)CC[C@@H]21 ZINC000302917492 444231992 /nfs/dbraw/zinc/23/19/92/444231992.db2.gz WZQJDPXKTNTJMQ-IKGGRYGDSA-N 2 1 345.491 1.748 20 0 EDADMP O=C(NCc1ccc2cncn2c1)N1CCC[C@@H]1CN1CCOCC1 ZINC000297714880 444323085 /nfs/dbraw/zinc/32/30/85/444323085.db2.gz YVVGHVIXQJQWIW-QGZVFWFLSA-N 2 1 343.431 1.341 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)[C@@H](C)C1 ZINC000305767724 444279471 /nfs/dbraw/zinc/27/94/71/444279471.db2.gz INGGZPHZWPLPLI-FFGOWVMKSA-N 2 1 331.504 1.942 20 0 EDADMP CC[N@@H+]1CC[C@H](NC[C@@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000305767724 444279473 /nfs/dbraw/zinc/27/94/73/444279473.db2.gz INGGZPHZWPLPLI-FFGOWVMKSA-N 2 1 331.504 1.942 20 0 EDADMP CC[N@H+]1CC[C@H](NC[C@@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000305767724 444279475 /nfs/dbraw/zinc/27/94/75/444279475.db2.gz INGGZPHZWPLPLI-FFGOWVMKSA-N 2 1 331.504 1.942 20 0 EDADMP CC[NH+]1CC[C@H](NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000305767724 444279476 /nfs/dbraw/zinc/27/94/76/444279476.db2.gz INGGZPHZWPLPLI-FFGOWVMKSA-N 2 1 331.504 1.942 20 0 EDADMP CC[NH+]1CC[C@H](NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000305767724 444279478 /nfs/dbraw/zinc/27/94/78/444279478.db2.gz INGGZPHZWPLPLI-FFGOWVMKSA-N 2 1 331.504 1.942 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccccc2)C[C@H](C)C1 ZINC000323510108 444343583 /nfs/dbraw/zinc/34/35/83/444343583.db2.gz YIFCIZNUQYNJKQ-AZUAARDMSA-N 2 1 349.519 1.379 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000323510108 444343585 /nfs/dbraw/zinc/34/35/85/444343585.db2.gz YIFCIZNUQYNJKQ-AZUAARDMSA-N 2 1 349.519 1.379 20 0 EDADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000323510108 444343587 /nfs/dbraw/zinc/34/35/87/444343587.db2.gz YIFCIZNUQYNJKQ-AZUAARDMSA-N 2 1 349.519 1.379 20 0 EDADMP O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000324712114 444358006 /nfs/dbraw/zinc/35/80/06/444358006.db2.gz DKXNNKLDMTZDDY-SFHVURJKSA-N 2 1 331.460 1.525 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000320726323 444331827 /nfs/dbraw/zinc/33/18/27/444331827.db2.gz MTWYEZCASJOYKW-GFCCVEGCSA-N 2 1 339.823 1.356 20 0 EDADMP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000297795214 444335605 /nfs/dbraw/zinc/33/56/05/444335605.db2.gz MZDJQKSZYTWWOL-QGZVFWFLSA-N 2 1 348.491 1.759 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000340506097 444415282 /nfs/dbraw/zinc/41/52/82/444415282.db2.gz SNHUKIXTAPEFCQ-UIAACRFSSA-N 2 1 329.488 1.478 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340506097 444415285 /nfs/dbraw/zinc/41/52/85/444415285.db2.gz SNHUKIXTAPEFCQ-UIAACRFSSA-N 2 1 329.488 1.478 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000340506097 444415289 /nfs/dbraw/zinc/41/52/89/444415289.db2.gz SNHUKIXTAPEFCQ-UIAACRFSSA-N 2 1 329.488 1.478 20 0 EDADMP COc1ccc(C[C@H](CO)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1O ZINC000298120636 444422034 /nfs/dbraw/zinc/42/20/34/444422034.db2.gz PEFHADBPMBDLAR-HNNXBMFYSA-N 2 1 334.460 1.768 20 0 EDADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000340726548 444490516 /nfs/dbraw/zinc/49/05/16/444490516.db2.gz LSXYMKRXYTXTQZ-DLBZAZTESA-N 2 1 333.501 1.814 20 0 EDADMP C[NH+](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000340726548 444490520 /nfs/dbraw/zinc/49/05/20/444490520.db2.gz LSXYMKRXYTXTQZ-DLBZAZTESA-N 2 1 333.501 1.814 20 0 EDADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000340726548 444490521 /nfs/dbraw/zinc/49/05/21/444490521.db2.gz LSXYMKRXYTXTQZ-DLBZAZTESA-N 2 1 333.501 1.814 20 0 EDADMP C[C@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[N@@H+]1CCc2ccccc2C1 ZINC000580415250 322047416 /nfs/dbraw/zinc/04/74/16/322047416.db2.gz OIQOQRXYYYVJAL-QRWLVFNGSA-N 2 1 343.471 1.006 20 0 EDADMP C[C@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[N@H+]1CCc2ccccc2C1 ZINC000580415250 322047418 /nfs/dbraw/zinc/04/74/18/322047418.db2.gz OIQOQRXYYYVJAL-QRWLVFNGSA-N 2 1 343.471 1.006 20 0 EDADMP C[C@H](NC(=O)CC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580644247 322077521 /nfs/dbraw/zinc/07/75/21/322077521.db2.gz LKAVSQNGTFZDTL-QFBILLFUSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@H](NC(=O)CC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580644247 322077523 /nfs/dbraw/zinc/07/75/23/322077523.db2.gz LKAVSQNGTFZDTL-QFBILLFUSA-N 2 1 345.487 1.782 20 0 EDADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)Cc1cccc(Cl)c1 ZINC000581310980 322162409 /nfs/dbraw/zinc/16/24/09/322162409.db2.gz WCFAAFKOJMTVLQ-SJORKVTESA-N 2 1 326.868 1.680 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000581546671 322190927 /nfs/dbraw/zinc/19/09/27/322190927.db2.gz AARRAEOGEVIZOJ-XHSDSOJGSA-N 2 1 348.495 1.017 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC000581952612 322237909 /nfs/dbraw/zinc/23/79/09/322237909.db2.gz PSIDREBYSGZFHE-ZACQAIPSSA-N 2 1 325.497 1.581 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC000581952612 322237911 /nfs/dbraw/zinc/23/79/11/322237911.db2.gz PSIDREBYSGZFHE-ZACQAIPSSA-N 2 1 325.497 1.581 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC000581952612 322237913 /nfs/dbraw/zinc/23/79/13/322237913.db2.gz PSIDREBYSGZFHE-ZACQAIPSSA-N 2 1 325.497 1.581 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)c2)C1 ZINC000582013525 322245632 /nfs/dbraw/zinc/24/56/32/322245632.db2.gz OIULNMHNOJXEKO-QYZOEREBSA-N 3 1 344.503 1.743 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000338220536 444570008 /nfs/dbraw/zinc/57/00/08/444570008.db2.gz KCBCOUXBVNVECA-INIZCTEOSA-N 2 1 333.476 1.667 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000338220536 444570011 /nfs/dbraw/zinc/57/00/11/444570011.db2.gz KCBCOUXBVNVECA-INIZCTEOSA-N 2 1 333.476 1.667 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000343776870 444584025 /nfs/dbraw/zinc/58/40/25/444584025.db2.gz IWCDEUYZZJAROF-UHFFFAOYSA-N 2 1 344.463 1.781 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343766624 444576353 /nfs/dbraw/zinc/57/63/53/444576353.db2.gz FZGVCSNWUGOKHJ-XYTVBORESA-N 2 1 349.519 1.818 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000340968936 444606506 /nfs/dbraw/zinc/60/65/06/444606506.db2.gz ZIWNHSNFOCBZNJ-PMPSAXMXSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000340968936 444606508 /nfs/dbraw/zinc/60/65/08/444606508.db2.gz ZIWNHSNFOCBZNJ-PMPSAXMXSA-N 2 1 326.485 1.125 20 0 EDADMP COc1ccc(C[C@H](C)C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000338281987 444609795 /nfs/dbraw/zinc/60/97/95/444609795.db2.gz OGVSSFOOMNIEEN-KRWDZBQOSA-N 2 1 347.503 1.970 20 0 EDADMP COc1ccc(C[C@H](C)C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000338281987 444609798 /nfs/dbraw/zinc/60/97/98/444609798.db2.gz OGVSSFOOMNIEEN-KRWDZBQOSA-N 2 1 347.503 1.970 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343834440 444618409 /nfs/dbraw/zinc/61/84/09/444618409.db2.gz QLFVYJLYVWQHEF-NUIAMIPMSA-N 2 1 349.519 1.675 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000341116616 444681937 /nfs/dbraw/zinc/68/19/37/444681937.db2.gz DOOAZJFSZAWSTA-MRXNPFEDSA-N 2 1 340.537 1.599 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000341116616 444681938 /nfs/dbraw/zinc/68/19/38/444681938.db2.gz DOOAZJFSZAWSTA-MRXNPFEDSA-N 2 1 340.537 1.599 20 0 EDADMP C[C@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1CC(C)(C)O ZINC000333399974 444664734 /nfs/dbraw/zinc/66/47/34/444664734.db2.gz YPMBIGIEKIHBPP-AWEZNQCLSA-N 2 1 346.475 1.641 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000341099266 444673777 /nfs/dbraw/zinc/67/37/77/444673777.db2.gz ZLHRIUWJTNUVQL-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ncc(C[NH+](C)C)s3)[C@@H]2C1 ZINC000342412283 444680893 /nfs/dbraw/zinc/68/08/93/444680893.db2.gz DJCGGUDZTXYSBL-NUEKZKHPSA-N 2 1 336.505 1.941 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@@H]2C(C)C)C1 ZINC000343937819 444681594 /nfs/dbraw/zinc/68/15/94/444681594.db2.gz QGMGUMMLFPFHJM-ZWKOTPCHSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC[C@@H]2C(C)C)C1 ZINC000343937819 444681597 /nfs/dbraw/zinc/68/15/97/444681597.db2.gz QGMGUMMLFPFHJM-ZWKOTPCHSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC[C@@H]2C(C)C)C1 ZINC000343937819 444681600 /nfs/dbraw/zinc/68/16/00/444681600.db2.gz QGMGUMMLFPFHJM-ZWKOTPCHSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000333830318 444701600 /nfs/dbraw/zinc/70/16/00/444701600.db2.gz MLJHDFFRGCDNIP-UXLLHSPISA-N 2 1 338.496 1.269 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000338463390 444707453 /nfs/dbraw/zinc/70/74/53/444707453.db2.gz RQXRQKXNSKBZMU-HLLBOEOZSA-N 2 1 325.497 1.721 20 0 EDADMP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000338463390 444707456 /nfs/dbraw/zinc/70/74/56/444707456.db2.gz RQXRQKXNSKBZMU-HLLBOEOZSA-N 2 1 325.497 1.721 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000338463390 444707458 /nfs/dbraw/zinc/70/74/58/444707458.db2.gz RQXRQKXNSKBZMU-HLLBOEOZSA-N 2 1 325.497 1.721 20 0 EDADMP CC[NH+](CCNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000338463390 444707465 /nfs/dbraw/zinc/70/74/65/444707465.db2.gz RQXRQKXNSKBZMU-HLLBOEOZSA-N 2 1 325.497 1.721 20 0 EDADMP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344046915 444748132 /nfs/dbraw/zinc/74/81/32/444748132.db2.gz XZPIARMXNASZQN-KURKYZTESA-N 2 1 340.556 1.695 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c2nccn21 ZINC000334064079 444767312 /nfs/dbraw/zinc/76/73/12/444767312.db2.gz CKUNJDMRIHAXSW-MGPQQGTHSA-N 2 1 335.452 1.376 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c2nccn21 ZINC000334064079 444767315 /nfs/dbraw/zinc/76/73/15/444767315.db2.gz CKUNJDMRIHAXSW-MGPQQGTHSA-N 2 1 335.452 1.376 20 0 EDADMP C[N@@H+](C[C@H](O)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000336793780 444796947 /nfs/dbraw/zinc/79/69/47/444796947.db2.gz YIMXZNZKLJHVOS-DYXWJJEUSA-N 2 1 343.515 1.895 20 0 EDADMP C[NH+](C[C@H](O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000336793780 444796948 /nfs/dbraw/zinc/79/69/48/444796948.db2.gz YIMXZNZKLJHVOS-DYXWJJEUSA-N 2 1 343.515 1.895 20 0 EDADMP C[NH+](C[C@H](O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000336793780 444796954 /nfs/dbraw/zinc/79/69/54/444796954.db2.gz YIMXZNZKLJHVOS-DYXWJJEUSA-N 2 1 343.515 1.895 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCC[C@@H](CCOC)C2)CC1 ZINC000342698002 444820582 /nfs/dbraw/zinc/82/05/82/444820582.db2.gz FEBAIDJOAREDGO-SJORKVTESA-N 2 1 325.497 1.678 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCC[C@@H](CCOC)C2)CC1 ZINC000342698002 444820587 /nfs/dbraw/zinc/82/05/87/444820587.db2.gz FEBAIDJOAREDGO-SJORKVTESA-N 2 1 325.497 1.678 20 0 EDADMP C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000336878574 444825005 /nfs/dbraw/zinc/82/50/05/444825005.db2.gz GNCIWNIXIGKDBH-YIONKMFJSA-N 2 1 327.428 1.888 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342764270 444854630 /nfs/dbraw/zinc/85/46/30/444854630.db2.gz HARMNIPRNBGTCE-HZSPNIEDSA-N 2 1 327.469 1.140 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000342708846 444827413 /nfs/dbraw/zinc/82/74/13/444827413.db2.gz OFVRYDASBFWIGX-SFHVURJKSA-N 2 1 345.487 1.679 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCCCF ZINC000344405663 444945450 /nfs/dbraw/zinc/94/54/50/444945450.db2.gz GZBMIVURILCMHK-HNNXBMFYSA-N 2 1 337.505 1.414 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCCCF ZINC000344405663 444945455 /nfs/dbraw/zinc/94/54/55/444945455.db2.gz GZBMIVURILCMHK-HNNXBMFYSA-N 2 1 337.505 1.414 20 0 EDADMP C[C@H](C(=O)NCCCC[NH+]1CCC[C@H]1CO)[N@@H+](C)Cc1ccccc1 ZINC000342954989 444964766 /nfs/dbraw/zinc/96/47/66/444964766.db2.gz DDWVUXFJVNHTFY-MJGOQNOKSA-N 2 1 347.503 1.860 20 0 EDADMP C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)[NH+](C)Cc1ccccc1 ZINC000342954989 444964769 /nfs/dbraw/zinc/96/47/69/444964769.db2.gz DDWVUXFJVNHTFY-MJGOQNOKSA-N 2 1 347.503 1.860 20 0 EDADMP C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)[NH+](C)Cc1ccccc1 ZINC000342954989 444964772 /nfs/dbraw/zinc/96/47/72/444964772.db2.gz DDWVUXFJVNHTFY-MJGOQNOKSA-N 2 1 347.503 1.860 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000337508780 445111108 /nfs/dbraw/zinc/11/11/08/445111108.db2.gz SLBYHZJIFTVJJD-UHFFFAOYSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000337651423 445187574 /nfs/dbraw/zinc/18/75/74/445187574.db2.gz KIWXGJPTGMWICF-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000337651423 445187575 /nfs/dbraw/zinc/18/75/75/445187575.db2.gz KIWXGJPTGMWICF-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000337651423 445187578 /nfs/dbraw/zinc/18/75/78/445187578.db2.gz KIWXGJPTGMWICF-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)C[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000346182826 445207871 /nfs/dbraw/zinc/20/78/71/445207871.db2.gz DXXYGNJBGGBHPH-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP CN(CC(=O)N[C@@H]1CCOc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000345698048 445196799 /nfs/dbraw/zinc/19/67/99/445196799.db2.gz RSJMFJZDAOXUBJ-NVXWUHKLSA-N 2 1 331.460 1.900 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000345709711 445197391 /nfs/dbraw/zinc/19/73/91/445197391.db2.gz FQLSOYACTOEFLL-XHSDSOJGSA-N 2 1 326.485 1.079 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000345709711 445197392 /nfs/dbraw/zinc/19/73/92/445197392.db2.gz FQLSOYACTOEFLL-XHSDSOJGSA-N 2 1 326.485 1.079 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC000345760088 445198631 /nfs/dbraw/zinc/19/86/31/445198631.db2.gz MQIZGBJLZKZOCG-DZKIICNBSA-N 2 1 328.526 1.548 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)CC[NH+](C)C)CC[N@H+]1CCOC ZINC000347074992 445230961 /nfs/dbraw/zinc/23/09/61/445230961.db2.gz SWRRUGODGBIYGD-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347207186 445234367 /nfs/dbraw/zinc/23/43/67/445234367.db2.gz MMTWAMSJOUQNIJ-AWEZNQCLSA-N 2 1 333.480 1.351 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343529565 445239505 /nfs/dbraw/zinc/23/95/05/445239505.db2.gz UCKYFLOFBAXLLS-FUHWJXTLSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343529565 445239506 /nfs/dbraw/zinc/23/95/06/445239506.db2.gz UCKYFLOFBAXLLS-FUHWJXTLSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343529565 445239507 /nfs/dbraw/zinc/23/95/07/445239507.db2.gz UCKYFLOFBAXLLS-FUHWJXTLSA-N 2 1 330.476 1.013 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CN(C)C[C@H]2C)CC1 ZINC000343604537 445260130 /nfs/dbraw/zinc/26/01/30/445260130.db2.gz KURXASUKARQATD-YLJYHZDGSA-N 2 1 330.520 1.864 20 0 EDADMP CC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C(C)(C)C ZINC000343631170 445271327 /nfs/dbraw/zinc/27/13/27/445271327.db2.gz NKWBFSYMTOYPHV-HOTGVXAUSA-N 2 1 327.513 1.874 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000351700174 445279175 /nfs/dbraw/zinc/27/91/75/445279175.db2.gz PXYNMDPMAXHPOE-HNNXBMFYSA-N 2 1 328.501 1.326 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)CCC(C)(C)O)cc[nH+]1 ZINC000348160888 445294416 /nfs/dbraw/zinc/29/44/16/445294416.db2.gz UQTYOKYDSRMJOW-KGLIPLIRSA-N 2 1 339.459 1.552 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)CCC(C)(C)O)cc[nH+]1 ZINC000348160888 445294418 /nfs/dbraw/zinc/29/44/18/445294418.db2.gz UQTYOKYDSRMJOW-KGLIPLIRSA-N 2 1 339.459 1.552 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)C[C@@H]2CCCO2)cc[nH+]1 ZINC000348164492 445297544 /nfs/dbraw/zinc/29/75/44/445297544.db2.gz CWAIUKUZNVOLOK-KKUMJFAQSA-N 2 1 337.443 1.570 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)C[C@@H]2CCCO2)cc[nH+]1 ZINC000348164492 445297545 /nfs/dbraw/zinc/29/75/45/445297545.db2.gz CWAIUKUZNVOLOK-KKUMJFAQSA-N 2 1 337.443 1.570 20 0 EDADMP C[N@@H+](CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000354681863 445338832 /nfs/dbraw/zinc/33/88/32/445338832.db2.gz AVYPYKKPYWFKNT-MRXNPFEDSA-N 2 1 338.496 1.016 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000351858443 445345151 /nfs/dbraw/zinc/34/51/51/445345151.db2.gz ZBMDHAZQJJTBQQ-QLFBSQMISA-N 2 1 349.475 1.859 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000351858443 445345153 /nfs/dbraw/zinc/34/51/53/445345153.db2.gz ZBMDHAZQJJTBQQ-QLFBSQMISA-N 2 1 349.475 1.859 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@@H+](C)C(C)C)C1 ZINC000351890388 445357603 /nfs/dbraw/zinc/35/76/03/445357603.db2.gz XTBQBNNJEXQJQC-MRXNPFEDSA-N 2 1 328.501 1.469 20 0 EDADMP CN1CCO[C@H](C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000359660793 445362259 /nfs/dbraw/zinc/36/22/59/445362259.db2.gz XDWWVRXCPRLIRB-OTWHNJEPSA-N 2 1 343.471 1.298 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000359660793 445362264 /nfs/dbraw/zinc/36/22/64/445362264.db2.gz XDWWVRXCPRLIRB-OTWHNJEPSA-N 2 1 343.471 1.298 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000359660793 445362269 /nfs/dbraw/zinc/36/22/69/445362269.db2.gz XDWWVRXCPRLIRB-OTWHNJEPSA-N 2 1 343.471 1.298 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000359660793 445362270 /nfs/dbraw/zinc/36/22/70/445362270.db2.gz XDWWVRXCPRLIRB-OTWHNJEPSA-N 2 1 343.471 1.298 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000359660793 445362276 /nfs/dbraw/zinc/36/22/76/445362276.db2.gz XDWWVRXCPRLIRB-OTWHNJEPSA-N 2 1 343.471 1.298 20 0 EDADMP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1O ZINC000351960794 445401394 /nfs/dbraw/zinc/40/13/94/445401394.db2.gz WIPKKWGSXFGIGD-MAUKXSAKSA-N 2 1 331.460 1.211 20 0 EDADMP CCC[N@@H+](CCOCC[NH3+])C1CCN(C(=O)c2ccccc2)CC1 ZINC000357104449 445430259 /nfs/dbraw/zinc/43/02/59/445430259.db2.gz MBZOVJCPSUNJSM-UHFFFAOYSA-N 2 1 333.476 1.979 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000362451135 445388119 /nfs/dbraw/zinc/38/81/19/445388119.db2.gz WEDAVSOTVIBFSB-DLBZAZTESA-N 2 1 343.475 1.848 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000362451135 445388122 /nfs/dbraw/zinc/38/81/22/445388122.db2.gz WEDAVSOTVIBFSB-DLBZAZTESA-N 2 1 343.475 1.848 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]2COCC[C@@H]21)c1ccccc1 ZINC000354789806 445390590 /nfs/dbraw/zinc/39/05/90/445390590.db2.gz MABFFPFBIMAYNN-GBESFXJTSA-N 2 1 345.487 1.906 20 0 EDADMP Cc1noc(C)c1C[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354935929 445435542 /nfs/dbraw/zinc/43/55/42/445435542.db2.gz SYNREWJAASPNBO-KBPBESRZSA-N 2 1 348.426 1.854 20 0 EDADMP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000362564726 445442663 /nfs/dbraw/zinc/44/26/63/445442663.db2.gz NOLWEUXHUAHSLU-HNNXBMFYSA-N 2 1 331.464 1.435 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355255125 445452060 /nfs/dbraw/zinc/45/20/60/445452060.db2.gz PDIYMXWGSHZPAK-CVEARBPZSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000355458421 445462673 /nfs/dbraw/zinc/46/26/73/445462673.db2.gz UXVZBFSMCZHOEO-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000355458421 445462676 /nfs/dbraw/zinc/46/26/76/445462676.db2.gz UXVZBFSMCZHOEO-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000355458421 445462678 /nfs/dbraw/zinc/46/26/78/445462678.db2.gz UXVZBFSMCZHOEO-KRWDZBQOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000349177854 445527313 /nfs/dbraw/zinc/52/73/13/445527313.db2.gz QBDHQRYABYANBU-CZUORRHYSA-N 2 1 347.463 1.208 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000349177854 445527315 /nfs/dbraw/zinc/52/73/15/445527315.db2.gz QBDHQRYABYANBU-CZUORRHYSA-N 2 1 347.463 1.208 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000362746245 445529760 /nfs/dbraw/zinc/52/97/60/445529760.db2.gz SYJPCUCGWWNBED-CRAIPNDOSA-N 2 1 333.476 1.831 20 0 EDADMP CN(C)c1nccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000349063166 445492326 /nfs/dbraw/zinc/49/23/26/445492326.db2.gz PQZKRRWYQCJAFO-UHFFFAOYSA-N 2 1 332.496 1.002 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNc2cc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000362821066 445564809 /nfs/dbraw/zinc/56/48/09/445564809.db2.gz UTYLEMSSENSCGM-HNNXBMFYSA-N 2 1 335.496 2.435 20 0 EDADMP COCC[NH+](CCOC)C1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000353021367 445571821 /nfs/dbraw/zinc/57/18/21/445571821.db2.gz JPFSZVARYKCFQX-GOSISDBHSA-N 3 1 341.540 1.920 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000356040467 445585598 /nfs/dbraw/zinc/58/55/98/445585598.db2.gz SRLLVHYXRHCUIR-QFBILLFUSA-N 2 1 348.491 1.263 20 0 EDADMP Cc1cc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)n(C(C)(C)C)n1 ZINC000358515736 445627563 /nfs/dbraw/zinc/62/75/63/445627563.db2.gz NLWJOBVVUDGRSB-UHFFFAOYSA-N 2 1 333.480 1.961 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000362878419 445593091 /nfs/dbraw/zinc/59/30/91/445593091.db2.gz VWTFWVHTTHVRKU-KSSFIOAISA-N 2 1 331.460 1.780 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356160663 445654883 /nfs/dbraw/zinc/65/48/83/445654883.db2.gz YOTKIQXMGKPIJH-NCOADZHNSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356160663 445654887 /nfs/dbraw/zinc/65/48/87/445654887.db2.gz YOTKIQXMGKPIJH-NCOADZHNSA-N 2 1 340.512 1.610 20 0 EDADMP CCC[N@@H+](C)CC(=O)NCCC[NH+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000358590839 445665429 /nfs/dbraw/zinc/66/54/29/445665429.db2.gz MAOSXBBLEDAQTD-LJQANCHMSA-N 2 1 346.519 1.823 20 0 EDADMP CCC[NH+](C)CC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000358590839 445665432 /nfs/dbraw/zinc/66/54/32/445665432.db2.gz MAOSXBBLEDAQTD-LJQANCHMSA-N 2 1 346.519 1.823 20 0 EDADMP CCC[NH+](C)CC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000358590839 445665435 /nfs/dbraw/zinc/66/54/35/445665435.db2.gz MAOSXBBLEDAQTD-LJQANCHMSA-N 2 1 346.519 1.823 20 0 EDADMP CCC[N@H+](C)CC(=O)NCCCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000358590839 445665439 /nfs/dbraw/zinc/66/54/39/445665439.db2.gz MAOSXBBLEDAQTD-LJQANCHMSA-N 2 1 346.519 1.823 20 0 EDADMP CCC[N@@H+](C)CC(=O)NCCCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000358590839 445665441 /nfs/dbraw/zinc/66/54/41/445665441.db2.gz MAOSXBBLEDAQTD-LJQANCHMSA-N 2 1 346.519 1.823 20 0 EDADMP CCC[NH+](C)CC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000358590839 445665444 /nfs/dbraw/zinc/66/54/44/445665444.db2.gz MAOSXBBLEDAQTD-LJQANCHMSA-N 2 1 346.519 1.823 20 0 EDADMP CCC[NH+](C)CC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000358590839 445665448 /nfs/dbraw/zinc/66/54/48/445665448.db2.gz MAOSXBBLEDAQTD-LJQANCHMSA-N 2 1 346.519 1.823 20 0 EDADMP C[NH+](C)C[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000358580344 445660503 /nfs/dbraw/zinc/66/05/03/445660503.db2.gz XKYAMRJVTSDNBF-YSTOQKLRSA-N 2 1 331.504 1.799 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000358652169 445695437 /nfs/dbraw/zinc/69/54/37/445695437.db2.gz SGFYRYSQFATKPP-KRWDZBQOSA-N 2 1 336.480 1.002 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCC1(O)CCC1 ZINC000356284254 445717320 /nfs/dbraw/zinc/71/73/20/445717320.db2.gz SVZFUXHEQCYBAL-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@@H]1C[C@H](C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000358694326 445721423 /nfs/dbraw/zinc/72/14/23/445721423.db2.gz QCKFNMJXRWGNRD-IAGOWNOFSA-N 2 1 345.491 1.098 20 0 EDADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000358697549 445724241 /nfs/dbraw/zinc/72/42/41/445724241.db2.gz WGXSCQVDKZBXNC-IBGZPJMESA-N 2 1 348.491 1.394 20 0 EDADMP CSC1(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000356304196 445727089 /nfs/dbraw/zinc/72/70/89/445727089.db2.gz OXKBOYJWUDINGJ-UHFFFAOYSA-N 2 1 325.522 1.758 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000358708699 445732960 /nfs/dbraw/zinc/73/29/60/445732960.db2.gz QRCZMHGBDNFCIX-RDJZCZTQSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000363235156 445733881 /nfs/dbraw/zinc/73/38/81/445733881.db2.gz YWPIXCIKTONTAG-YJBOKZPZSA-N 2 1 345.491 1.685 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000363235156 445733884 /nfs/dbraw/zinc/73/38/84/445733884.db2.gz YWPIXCIKTONTAG-YJBOKZPZSA-N 2 1 345.491 1.685 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC(=O)NCC[N@@H+](C)C1CC1 ZINC000363235156 445733886 /nfs/dbraw/zinc/73/38/86/445733886.db2.gz YWPIXCIKTONTAG-YJBOKZPZSA-N 2 1 345.491 1.685 20 0 EDADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000356348094 445745660 /nfs/dbraw/zinc/74/56/60/445745660.db2.gz GRSLOUNJXDGWSG-UHFFFAOYSA-N 2 1 336.480 1.121 20 0 EDADMP CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000350077452 445762990 /nfs/dbraw/zinc/76/29/90/445762990.db2.gz RSOSEQYOZAKISV-KRWDZBQOSA-N 2 1 341.544 1.242 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358863910 445817730 /nfs/dbraw/zinc/81/77/30/445817730.db2.gz WHHOOLYAWBWBSN-QGZVFWFLSA-N 2 1 336.455 1.012 20 0 EDADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000358868666 445821536 /nfs/dbraw/zinc/82/15/36/445821536.db2.gz ZLIUEQHXWPFVBS-BRWVUGGUSA-N 2 1 326.481 1.613 20 0 EDADMP CN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353944230 445821929 /nfs/dbraw/zinc/82/19/29/445821929.db2.gz QUASFJNKOKVEBV-MYSGWJLTSA-N 2 1 340.537 1.690 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC3(C)COC3)CC2)C[C@H](C)O1 ZINC000358870167 445822900 /nfs/dbraw/zinc/82/29/00/445822900.db2.gz HGJKAMFYNRHZCZ-IYBDPMFKSA-N 2 1 326.481 1.613 20 0 EDADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC3(C)COC3)CC2)C[C@H](C)O1 ZINC000358870167 445822907 /nfs/dbraw/zinc/82/29/07/445822907.db2.gz HGJKAMFYNRHZCZ-IYBDPMFKSA-N 2 1 326.481 1.613 20 0 EDADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000358871858 445823658 /nfs/dbraw/zinc/82/36/58/445823658.db2.gz KVZLFNHBUFWXGP-HZPDHXFCSA-N 2 1 341.496 1.055 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000350153118 445781576 /nfs/dbraw/zinc/78/15/76/445781576.db2.gz LBAZKMGYKGURSW-KRWDZBQOSA-N 2 1 325.497 1.822 20 0 EDADMP CC1(C)CC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC(C)(C)[NH2+]1 ZINC000363390711 445784999 /nfs/dbraw/zinc/78/49/99/445784999.db2.gz VNOMFKFEBSVVEK-GJZGRUSLSA-N 2 1 338.496 1.458 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCNc2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC000358828178 445796339 /nfs/dbraw/zinc/79/63/39/445796339.db2.gz SGYWYEZTUNKGNY-AEFFLSMTSA-N 2 1 325.460 2.531 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCNc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC000358828178 445796343 /nfs/dbraw/zinc/79/63/43/445796343.db2.gz SGYWYEZTUNKGNY-AEFFLSMTSA-N 2 1 325.460 2.531 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000356453052 445797685 /nfs/dbraw/zinc/79/76/85/445797685.db2.gz NUPADBURPOSMEW-HOTGVXAUSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)CC2)CCO1 ZINC000358856981 445813778 /nfs/dbraw/zinc/81/37/78/445813778.db2.gz OPVDVDNDKFBCOB-RDTXWAMCSA-N 2 1 349.450 1.580 20 0 EDADMP COC(=O)[C@@H](c1cccnc1)N1CCC(CCN2CCOCC2)CC1 ZINC000363517433 445841130 /nfs/dbraw/zinc/84/11/30/445841130.db2.gz IMDVDHUCDRWOOR-GOSISDBHSA-N 2 1 347.459 1.730 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccnc(C[NH3+])c2)C[C@@H](C)O1 ZINC000361617830 445849705 /nfs/dbraw/zinc/84/97/05/445849705.db2.gz YHISTAJTXZMKIP-CPUCHLNUSA-N 2 1 332.448 1.254 20 0 EDADMP c1cc(NC2CC[NH+](CC3CCCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000364450467 445923377 /nfs/dbraw/zinc/92/33/77/445923377.db2.gz XNHJYHFDNSALFQ-UHFFFAOYSA-N 2 1 345.491 2.380 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CCC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000373057238 445998561 /nfs/dbraw/zinc/99/85/61/445998561.db2.gz JXWAMCVYNHQQRO-HYVNUMGLSA-N 2 1 346.475 1.091 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2Cn2ccnn2)CC1 ZINC000369184825 445977079 /nfs/dbraw/zinc/97/70/79/445977079.db2.gz SCNCFSGVVKYFJD-SFHVURJKSA-N 2 1 334.512 1.549 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000373083472 446016525 /nfs/dbraw/zinc/01/65/25/446016525.db2.gz HRQXZCDRGAGVOV-ROUUACIJSA-N 2 1 335.492 1.763 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000373083472 446016530 /nfs/dbraw/zinc/01/65/30/446016530.db2.gz HRQXZCDRGAGVOV-ROUUACIJSA-N 2 1 335.492 1.763 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@H]3CCc4[nH]cnc4C3)CC2)CCO1 ZINC000366115196 446022060 /nfs/dbraw/zinc/02/20/60/446022060.db2.gz IIQHIZQZVHNFNL-KGLIPLIRSA-N 2 1 347.463 1.162 20 0 EDADMP C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@H]3CCc4nc[nH]c4C3)CC2)CCO1 ZINC000366115196 446022063 /nfs/dbraw/zinc/02/20/63/446022063.db2.gz IIQHIZQZVHNFNL-KGLIPLIRSA-N 2 1 347.463 1.162 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C[C@H](C)O1 ZINC000366136586 446036874 /nfs/dbraw/zinc/03/68/74/446036874.db2.gz UTGCAUXSOWRNDU-JZXOWHBKSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@H](C)O1 ZINC000366136586 446036879 /nfs/dbraw/zinc/03/68/79/446036879.db2.gz UTGCAUXSOWRNDU-JZXOWHBKSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000361886952 446040080 /nfs/dbraw/zinc/04/00/80/446040080.db2.gz BFAAHZUAOCAQAC-IZBJGVDFSA-N 2 1 331.504 1.942 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361886952 446040082 /nfs/dbraw/zinc/04/00/82/446040082.db2.gz BFAAHZUAOCAQAC-IZBJGVDFSA-N 2 1 331.504 1.942 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361886952 446040085 /nfs/dbraw/zinc/04/00/85/446040085.db2.gz BFAAHZUAOCAQAC-IZBJGVDFSA-N 2 1 331.504 1.942 20 0 EDADMP Cn1cncc1CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000366090765 446006217 /nfs/dbraw/zinc/00/62/17/446006217.db2.gz OVCJMUZEAPHQII-FUHWJXTLSA-N 2 1 339.443 1.836 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583742708 326130077 /nfs/dbraw/zinc/13/00/77/326130077.db2.gz UYAQQYLVWNFZMR-NJAFHUGGSA-N 2 1 330.476 1.806 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000373174308 446074248 /nfs/dbraw/zinc/07/42/48/446074248.db2.gz UPJOBTVUJFTXFH-RDJZCZTQSA-N 2 1 337.464 1.679 20 0 EDADMP CN1CCN(c2cc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000365225292 446087450 /nfs/dbraw/zinc/08/74/50/446087450.db2.gz LZLKAENWHOJUFW-KRWDZBQOSA-N 2 1 343.475 1.144 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000365225292 446087459 /nfs/dbraw/zinc/08/74/59/446087459.db2.gz LZLKAENWHOJUFW-KRWDZBQOSA-N 2 1 343.475 1.144 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000365225292 446087463 /nfs/dbraw/zinc/08/74/63/446087463.db2.gz LZLKAENWHOJUFW-KRWDZBQOSA-N 2 1 343.475 1.144 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000361992938 446134884 /nfs/dbraw/zinc/13/48/84/446134884.db2.gz MKHGTLCGZDYFHB-KZNAEPCWSA-N 2 1 339.524 1.801 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC[N@H+]1C[C@@H](C)O ZINC000361992938 446134889 /nfs/dbraw/zinc/13/48/89/446134889.db2.gz MKHGTLCGZDYFHB-KZNAEPCWSA-N 2 1 339.524 1.801 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000365266791 446113503 /nfs/dbraw/zinc/11/35/03/446113503.db2.gz LSXYNBYNEXFVFN-LTIDMASMSA-N 2 1 336.476 1.951 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000359284511 446120093 /nfs/dbraw/zinc/12/00/93/446120093.db2.gz HBUVZPWVUOMYFA-HRCADAONSA-N 2 1 340.512 1.164 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000359284511 446120098 /nfs/dbraw/zinc/12/00/98/446120098.db2.gz HBUVZPWVUOMYFA-HRCADAONSA-N 2 1 340.512 1.164 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000359284511 446120101 /nfs/dbraw/zinc/12/01/01/446120101.db2.gz HBUVZPWVUOMYFA-HRCADAONSA-N 2 1 340.512 1.164 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000373252827 446124403 /nfs/dbraw/zinc/12/44/03/446124403.db2.gz PXZSCLDYWPGKID-VDZJLULYSA-N 2 1 349.519 1.866 20 0 EDADMP C[C@H]([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000373252827 446124406 /nfs/dbraw/zinc/12/44/06/446124406.db2.gz PXZSCLDYWPGKID-VDZJLULYSA-N 2 1 349.519 1.866 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000369915639 446167548 /nfs/dbraw/zinc/16/75/48/446167548.db2.gz HUWDENOWZRBNIG-NZSAHSFTSA-N 2 1 345.487 1.686 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000369915639 446167554 /nfs/dbraw/zinc/16/75/54/446167554.db2.gz HUWDENOWZRBNIG-NZSAHSFTSA-N 2 1 345.487 1.686 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000369915639 446167559 /nfs/dbraw/zinc/16/75/59/446167559.db2.gz HUWDENOWZRBNIG-NZSAHSFTSA-N 2 1 345.487 1.686 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000369915639 446167562 /nfs/dbraw/zinc/16/75/62/446167562.db2.gz HUWDENOWZRBNIG-NZSAHSFTSA-N 2 1 345.487 1.686 20 0 EDADMP CCN1CCO[C@@H](C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000369679322 446146467 /nfs/dbraw/zinc/14/64/67/446146467.db2.gz GKVVVLVPTNLNDJ-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000369679322 446146472 /nfs/dbraw/zinc/14/64/72/446146472.db2.gz GKVVVLVPTNLNDJ-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000369679322 446146480 /nfs/dbraw/zinc/14/64/80/446146480.db2.gz GKVVVLVPTNLNDJ-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000369679322 446146489 /nfs/dbraw/zinc/14/64/89/446146489.db2.gz GKVVVLVPTNLNDJ-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000369679322 446146496 /nfs/dbraw/zinc/14/64/96/446146496.db2.gz GKVVVLVPTNLNDJ-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366319944 446147656 /nfs/dbraw/zinc/14/76/56/446147656.db2.gz CXUBPMIXPKIULU-SFHVURJKSA-N 3 1 338.540 1.624 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC000366328444 446156003 /nfs/dbraw/zinc/15/60/03/446156003.db2.gz VHANNNSGZCOJQC-SFHVURJKSA-N 3 1 336.524 1.441 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000351618964 446213680 /nfs/dbraw/zinc/21/36/80/446213680.db2.gz DMBUMDDXFASJJL-KONPQCLYSA-N 2 1 337.508 1.721 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000351618964 446213683 /nfs/dbraw/zinc/21/36/83/446213683.db2.gz DMBUMDDXFASJJL-KONPQCLYSA-N 2 1 337.508 1.721 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCCn3ccnc32)C[C@H](C)O1 ZINC000366492572 446236702 /nfs/dbraw/zinc/23/67/02/446236702.db2.gz IAHAHZALHLDEOL-XHSDSOJGSA-N 2 1 349.479 1.559 20 0 EDADMP C[C@@H]1CN(CCCNC(=O)NC[C@@H]2CCCn3ccnc32)C[C@H](C)O1 ZINC000366492572 446236706 /nfs/dbraw/zinc/23/67/06/446236706.db2.gz IAHAHZALHLDEOL-XHSDSOJGSA-N 2 1 349.479 1.559 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)C(C)C)CC1 ZINC000362178939 446249002 /nfs/dbraw/zinc/24/90/02/446249002.db2.gz KXNKWSZPTXQNAV-SFHVURJKSA-N 2 1 333.476 1.246 20 0 EDADMP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000366537263 446253676 /nfs/dbraw/zinc/25/36/76/446253676.db2.gz WIYJNFYRIZAAHN-ULQDDVLXSA-N 2 1 337.414 1.996 20 0 EDADMP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000366537263 446253679 /nfs/dbraw/zinc/25/36/79/446253679.db2.gz WIYJNFYRIZAAHN-ULQDDVLXSA-N 2 1 337.414 1.996 20 0 EDADMP CSC[C@H](O)C[NH+]1CCC[C@@H]([N@H+](C)C[C@H](O)CSC)CC1 ZINC000373600597 446277654 /nfs/dbraw/zinc/27/76/54/446277654.db2.gz DTEZKROAYQBIPZ-QLFBSQMISA-N 2 1 336.567 1.221 20 0 EDADMP CSC[C@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C[C@H](O)CSC)CC1 ZINC000373600597 446277657 /nfs/dbraw/zinc/27/76/57/446277657.db2.gz DTEZKROAYQBIPZ-QLFBSQMISA-N 2 1 336.567 1.221 20 0 EDADMP CSC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C[C@H](O)CSC)CC1 ZINC000373600597 446277659 /nfs/dbraw/zinc/27/76/59/446277659.db2.gz DTEZKROAYQBIPZ-QLFBSQMISA-N 2 1 336.567 1.221 20 0 EDADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000365628462 446280798 /nfs/dbraw/zinc/28/07/98/446280798.db2.gz VWJUKSNQHBNSHA-RDTXWAMCSA-N 2 1 343.487 1.503 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000365628462 446280803 /nfs/dbraw/zinc/28/08/03/446280803.db2.gz VWJUKSNQHBNSHA-RDTXWAMCSA-N 2 1 343.487 1.503 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000365628462 446280805 /nfs/dbraw/zinc/28/08/05/446280805.db2.gz VWJUKSNQHBNSHA-RDTXWAMCSA-N 2 1 343.487 1.503 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000365628462 446280811 /nfs/dbraw/zinc/28/08/11/446280811.db2.gz VWJUKSNQHBNSHA-RDTXWAMCSA-N 2 1 343.487 1.503 20 0 EDADMP C[C@H](O)COC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000366632153 446286378 /nfs/dbraw/zinc/28/63/78/446286378.db2.gz HHNAWCMYGUMMPP-IRXDYDNUSA-N 2 1 326.481 1.744 20 0 EDADMP C[C@H](O)COC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000366632153 446286381 /nfs/dbraw/zinc/28/63/81/446286381.db2.gz HHNAWCMYGUMMPP-IRXDYDNUSA-N 2 1 326.481 1.744 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000365659116 446290438 /nfs/dbraw/zinc/29/04/38/446290438.db2.gz AKGKMZXZWHVBFH-GOSISDBHSA-N 2 1 344.519 1.541 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000365659116 446290443 /nfs/dbraw/zinc/29/04/43/446290443.db2.gz AKGKMZXZWHVBFH-GOSISDBHSA-N 2 1 344.519 1.541 20 0 EDADMP CN(C)CC[NH+](C)CCCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000365659116 446290449 /nfs/dbraw/zinc/29/04/49/446290449.db2.gz AKGKMZXZWHVBFH-GOSISDBHSA-N 2 1 344.519 1.541 20 0 EDADMP CN(CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)CC[NH+](C)C ZINC000365659116 446290451 /nfs/dbraw/zinc/29/04/51/446290451.db2.gz AKGKMZXZWHVBFH-GOSISDBHSA-N 2 1 344.519 1.541 20 0 EDADMP CN(CCCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)CC[NH+](C)C ZINC000365659116 446290456 /nfs/dbraw/zinc/29/04/56/446290456.db2.gz AKGKMZXZWHVBFH-GOSISDBHSA-N 2 1 344.519 1.541 20 0 EDADMP C[C@H]1C[N@H+](Cc2c[nH]c3nccnc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365661347 446291423 /nfs/dbraw/zinc/29/14/23/446291423.db2.gz QNYHVOCWJCQGPD-GOEBONIOSA-N 2 1 328.464 1.367 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CCCO1 ZINC000370489705 446302477 /nfs/dbraw/zinc/30/24/77/446302477.db2.gz CIBYDJJGXVLNDG-ZACQAIPSSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCO1 ZINC000370489705 446302479 /nfs/dbraw/zinc/30/24/79/446302479.db2.gz CIBYDJJGXVLNDG-ZACQAIPSSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCO1 ZINC000370489705 446302483 /nfs/dbraw/zinc/30/24/83/446302483.db2.gz CIBYDJJGXVLNDG-ZACQAIPSSA-N 2 1 338.496 1.413 20 0 EDADMP Cc1cc(=O)n2nc(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)sc2n1 ZINC000374074572 446351049 /nfs/dbraw/zinc/35/10/49/446351049.db2.gz LTQAXWSVGAUCTD-UHFFFAOYSA-N 2 1 347.488 1.767 20 0 EDADMP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)cn2)CC1 ZINC000365816812 446353806 /nfs/dbraw/zinc/35/38/06/446353806.db2.gz NCIHKOBPPYNSLC-DOTOQJQBSA-N 2 1 343.475 1.646 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1ccccc1 ZINC000417500519 446356092 /nfs/dbraw/zinc/35/60/92/446356092.db2.gz GKNCKUWFSJCYMT-RYQLBKOJSA-N 2 1 348.491 1.827 20 0 EDADMP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000417747759 446372156 /nfs/dbraw/zinc/37/21/56/446372156.db2.gz JDWOBWDZNAYNEM-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP CC[C@H](NC(=O)NC[C@H](C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417895520 446379040 /nfs/dbraw/zinc/37/90/40/446379040.db2.gz OPCIQFDFUQZIBG-BPQIPLTHSA-N 2 1 348.491 1.560 20 0 EDADMP CC[C@H](NC(=O)NC[C@H](C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417895520 446379043 /nfs/dbraw/zinc/37/90/43/446379043.db2.gz OPCIQFDFUQZIBG-BPQIPLTHSA-N 2 1 348.491 1.560 20 0 EDADMP CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC[NH+](C)CC1 ZINC000423119488 446429819 /nfs/dbraw/zinc/42/98/19/446429819.db2.gz COBTZWUQCLDYSJ-OAGGEKHMSA-N 3 1 327.538 1.561 20 0 EDADMP [NH3+][C@H](CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000418075914 446432162 /nfs/dbraw/zinc/43/21/62/446432162.db2.gz HOVNPQDAYMRGQM-DLBZAZTESA-N 2 1 348.516 1.641 20 0 EDADMP [NH3+][C@H](CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000418075914 446432167 /nfs/dbraw/zinc/43/21/67/446432167.db2.gz HOVNPQDAYMRGQM-DLBZAZTESA-N 2 1 348.516 1.641 20 0 EDADMP C[C@@H](C[C@H]1COCC[NH2+]1)NCc1ccncc1OCCC[NH+](C)C ZINC000423132839 446434200 /nfs/dbraw/zinc/43/42/00/446434200.db2.gz VAXJNJDOENDRFV-RDJZCZTQSA-N 2 1 336.480 1.269 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418099209 446440743 /nfs/dbraw/zinc/44/07/43/446440743.db2.gz BSQZJFIBNXZLQW-UYAOXDASSA-N 2 1 342.487 1.904 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC[NH2+]CC1)C1CC1 ZINC000418133935 446442614 /nfs/dbraw/zinc/44/26/14/446442614.db2.gz GSGIMMXMXIMBSV-SFHVURJKSA-N 2 1 330.476 1.902 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423207928 446452957 /nfs/dbraw/zinc/45/29/57/446452957.db2.gz SMBFFHNNAWSZJS-PCCBWWKXSA-N 3 1 342.531 1.782 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC[NH2+]CC1 ZINC000423173096 446446874 /nfs/dbraw/zinc/44/68/74/446446874.db2.gz WXGBIBAYCCMZPR-JKSUJKDBSA-N 3 1 325.497 1.629 20 0 EDADMP CCOC(=O)CC[N@H+]1CCC2(C1)CC[NH+](CCC(=O)OCC)CC2 ZINC000376363509 446454998 /nfs/dbraw/zinc/45/49/98/446454998.db2.gz AMFKQZDLXKOPEN-UHFFFAOYSA-N 2 1 340.464 1.681 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000418240000 446469595 /nfs/dbraw/zinc/46/95/95/446469595.db2.gz PEFQKXMOVFBSMC-CVEARBPZSA-N 2 1 340.512 1.504 20 0 EDADMP CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420310779 446473643 /nfs/dbraw/zinc/47/36/43/446473643.db2.gz QCHKNBZEDPXWDE-UHFFFAOYSA-N 2 1 345.443 1.877 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420317606 446483610 /nfs/dbraw/zinc/48/36/10/446483610.db2.gz ZQQILMJBXSEPKI-YOEHRIQHSA-N 2 1 326.444 1.563 20 0 EDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420317606 446483614 /nfs/dbraw/zinc/48/36/14/446483614.db2.gz ZQQILMJBXSEPKI-YOEHRIQHSA-N 2 1 326.444 1.563 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCCC[NH2+]Cc3cccnc3)CC[C@@H]21 ZINC000418330033 446502516 /nfs/dbraw/zinc/50/25/16/446502516.db2.gz PGXAXLCDJMZHOR-MSOLQXFVSA-N 2 1 345.491 1.687 20 0 EDADMP O=C(CN1CCC([C@@H]2CCC[NH2+]2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000420336638 446505814 /nfs/dbraw/zinc/50/58/14/446505814.db2.gz MMOZNVUHOVHTDY-SFHVURJKSA-N 2 1 334.508 1.193 20 0 EDADMP C[C@@H](NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418338370 446506871 /nfs/dbraw/zinc/50/68/71/446506871.db2.gz JTKTXBCRJLQSGN-NVXWUHKLSA-N 2 1 330.476 1.900 20 0 EDADMP C[NH2+]CCNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418338046 446507915 /nfs/dbraw/zinc/50/79/15/446507915.db2.gz YUOFNBCTVGGWRS-GASCZTMLSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000423378510 446510805 /nfs/dbraw/zinc/51/08/05/446510805.db2.gz FZIXLUHXACMKEQ-DOTOQJQBSA-N 2 1 333.476 1.892 20 0 EDADMP COCC[N@H+]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000423378510 446510808 /nfs/dbraw/zinc/51/08/08/446510808.db2.gz FZIXLUHXACMKEQ-DOTOQJQBSA-N 2 1 333.476 1.892 20 0 EDADMP O=C1[C@H]([N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCCN1CC(F)(F)F ZINC000420339911 446512383 /nfs/dbraw/zinc/51/23/83/446512383.db2.gz ZIORPQLBISIWDW-MGPQQGTHSA-N 2 1 333.398 1.861 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000423390716 446513357 /nfs/dbraw/zinc/51/33/57/446513357.db2.gz MRPBAHWKECFNQW-OIISXLGYSA-N 2 1 347.459 1.388 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C[C@H]1Cc1ccccc1 ZINC000418318080 446497517 /nfs/dbraw/zinc/49/75/17/446497517.db2.gz NHDYFPZBKZXCEY-QZTJIDSGSA-N 2 1 330.476 1.554 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C[C@H]1Cc1ccccc1 ZINC000418318080 446497519 /nfs/dbraw/zinc/49/75/19/446497519.db2.gz NHDYFPZBKZXCEY-QZTJIDSGSA-N 2 1 330.476 1.554 20 0 EDADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC(=O)NCc1cccs1 ZINC000420329685 446499715 /nfs/dbraw/zinc/49/97/15/446499715.db2.gz HCZOYPNVAYUNGA-BETUJISGSA-N 2 1 336.461 1.005 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000418484024 446561054 /nfs/dbraw/zinc/56/10/54/446561054.db2.gz ZPLHRUSNVUHPHE-QZTJIDSGSA-N 2 1 330.476 1.950 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1 ZINC000418483940 446561669 /nfs/dbraw/zinc/56/16/69/446561669.db2.gz FYEOVVOWFSHXKX-QLFBSQMISA-N 2 1 334.464 1.303 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418366338 446516772 /nfs/dbraw/zinc/51/67/72/446516772.db2.gz POIGWFFDQJTKHL-JQHSSLGASA-N 2 1 348.491 1.024 20 0 EDADMP C[C@@H](C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1)CS(C)(=O)=O ZINC000367209508 446522079 /nfs/dbraw/zinc/52/20/79/446522079.db2.gz RDRFWIOQCPFAQI-LSDHHAIUSA-N 2 1 328.522 1.863 20 0 EDADMP O=C1[C@@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Cl)c1 ZINC000420348185 446522620 /nfs/dbraw/zinc/52/26/20/446522620.db2.gz KAHHAQQXSRQSHK-SJORKVTESA-N 2 1 348.878 1.425 20 0 EDADMP O=C1[C@@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Cl)c1 ZINC000420348185 446522625 /nfs/dbraw/zinc/52/26/25/446522625.db2.gz KAHHAQQXSRQSHK-SJORKVTESA-N 2 1 348.878 1.425 20 0 EDADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347716 446523441 /nfs/dbraw/zinc/52/34/41/446523441.db2.gz HVZAGHXILQPJNQ-RDJZCZTQSA-N 2 1 330.476 1.556 20 0 EDADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347716 446523445 /nfs/dbraw/zinc/52/34/45/446523445.db2.gz HVZAGHXILQPJNQ-RDJZCZTQSA-N 2 1 330.476 1.556 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000423412084 446523662 /nfs/dbraw/zinc/52/36/62/446523662.db2.gz WCFPRFZWHSSLLR-LSDHHAIUSA-N 2 1 333.480 1.584 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])C3CCC3)C2)cc(OC)c1 ZINC000423418744 446526882 /nfs/dbraw/zinc/52/68/82/446526882.db2.gz ADUIHLBEROYXEK-CRAIPNDOSA-N 2 1 347.459 1.522 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])C3CCC3)C2)cc(OC)c1 ZINC000423418744 446526888 /nfs/dbraw/zinc/52/68/88/446526888.db2.gz ADUIHLBEROYXEK-CRAIPNDOSA-N 2 1 347.459 1.522 20 0 EDADMP C[N@H+]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C2(CCCCC2)C1 ZINC000423423502 446530059 /nfs/dbraw/zinc/53/00/59/446530059.db2.gz DRAFKRIDFYAGQS-QGZVFWFLSA-N 2 1 345.491 1.898 20 0 EDADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCCC1CCCCC1 ZINC000420350782 446530171 /nfs/dbraw/zinc/53/01/71/446530171.db2.gz UVDIWMILKPAOQO-SFHVURJKSA-N 2 1 336.524 1.443 20 0 EDADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCCC1CCCCC1 ZINC000420350782 446530180 /nfs/dbraw/zinc/53/01/80/446530180.db2.gz UVDIWMILKPAOQO-SFHVURJKSA-N 2 1 336.524 1.443 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418403934 446532977 /nfs/dbraw/zinc/53/29/77/446532977.db2.gz IUBVGOJXDVVWGN-YQVWRLOYSA-N 2 1 346.475 1.050 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc4cccc(C)n34)C2)CC1 ZINC000367419598 446544724 /nfs/dbraw/zinc/54/47/24/446544724.db2.gz USMATPCFGHSYBF-KRWDZBQOSA-N 2 1 327.476 1.855 20 0 EDADMP CC(C)[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)[NH+]1CCOCC1 ZINC000433222732 446549163 /nfs/dbraw/zinc/54/91/63/446549163.db2.gz WQQSWAPYKLEBHJ-GOSISDBHSA-N 2 1 333.476 1.835 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)NC(=O)NCc1ccccc1 ZINC000420375444 446552272 /nfs/dbraw/zinc/55/22/72/446552272.db2.gz SXUMYQCQIVSXCY-JKIFEVAISA-N 2 1 332.448 1.379 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000418464350 446553632 /nfs/dbraw/zinc/55/36/32/446553632.db2.gz MCPPUHRJBSYONE-HUUCEWRRSA-N 2 1 326.485 1.399 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000418463974 446554007 /nfs/dbraw/zinc/55/40/07/446554007.db2.gz LTSZYAIHXHFFAB-INIZCTEOSA-N 2 1 339.528 1.315 20 0 EDADMP Cc1ccc(NCCCNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[nH+]c1 ZINC000433905701 446610160 /nfs/dbraw/zinc/61/01/60/446610160.db2.gz CZBRKAJPDFNEDR-QGZVFWFLSA-N 2 1 345.491 2.508 20 0 EDADMP Cc1ccc(NCCCNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[nH+]c1 ZINC000433905701 446610169 /nfs/dbraw/zinc/61/01/69/446610169.db2.gz CZBRKAJPDFNEDR-QGZVFWFLSA-N 2 1 345.491 2.508 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000433451193 446574471 /nfs/dbraw/zinc/57/44/71/446574471.db2.gz BIUFZSMEDCUBOA-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1C[NH3+] ZINC000420401364 446574596 /nfs/dbraw/zinc/57/45/96/446574596.db2.gz JELADBMTXZMXLT-JKSUJKDBSA-N 2 1 348.466 1.391 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1C[NH3+] ZINC000420401364 446574603 /nfs/dbraw/zinc/57/46/03/446574603.db2.gz JELADBMTXZMXLT-JKSUJKDBSA-N 2 1 348.466 1.391 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH2+]C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000418519752 446578699 /nfs/dbraw/zinc/57/86/99/446578699.db2.gz GLBHWPYFJBNZBB-SOLBZPMBSA-N 2 1 330.476 1.900 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC000433465745 446578896 /nfs/dbraw/zinc/57/88/96/446578896.db2.gz ISVQNONPTOKXSR-ULQDDVLXSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC000433465745 446578903 /nfs/dbraw/zinc/57/89/03/446578903.db2.gz ISVQNONPTOKXSR-ULQDDVLXSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC000433465745 446578908 /nfs/dbraw/zinc/57/89/08/446578908.db2.gz ISVQNONPTOKXSR-ULQDDVLXSA-N 2 1 340.512 1.611 20 0 EDADMP O=C(NC[C@H]1CC[NH2+]C1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418529280 446582232 /nfs/dbraw/zinc/58/22/32/446582232.db2.gz SZKOMIGUQIYCJT-AZUAARDMSA-N 2 1 342.487 1.904 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418537494 446585275 /nfs/dbraw/zinc/58/52/75/446585275.db2.gz JUUVNVQYBTUYQQ-SJLPKXTDSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418541398 446586198 /nfs/dbraw/zinc/58/61/98/446586198.db2.gz QIHTYCWRMBMYKQ-WDYCEAGBSA-N 2 1 346.475 1.063 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC000367766922 446588261 /nfs/dbraw/zinc/58/82/61/446588261.db2.gz GVTUQADNBIWSCI-RDJZCZTQSA-N 2 1 344.459 1.239 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C[C@@H]1C[NH3+] ZINC000420415139 446589214 /nfs/dbraw/zinc/58/92/14/446589214.db2.gz UVAYOFMMUMAHIV-CVEARBPZSA-N 2 1 348.466 1.391 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C[C@@H]1C[NH3+] ZINC000420415139 446589220 /nfs/dbraw/zinc/58/92/20/446589220.db2.gz UVAYOFMMUMAHIV-CVEARBPZSA-N 2 1 348.466 1.391 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC[C@H]21 ZINC000418549010 446589732 /nfs/dbraw/zinc/58/97/32/446589732.db2.gz DGBULQKMFMQHHH-FUHWJXTLSA-N 2 1 328.460 1.916 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000418563242 446594843 /nfs/dbraw/zinc/59/48/43/446594843.db2.gz SBXBGVQYOGEPEW-HNNXBMFYSA-N 2 1 328.501 1.504 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000418659586 446639371 /nfs/dbraw/zinc/63/93/71/446639371.db2.gz XOHDQWINGLQWDI-HDMKZQKVSA-N 2 1 348.491 1.345 20 0 EDADMP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000418693900 446650072 /nfs/dbraw/zinc/65/00/72/446650072.db2.gz KFIFZZFJRHBNIG-MAUKXSAKSA-N 2 1 348.491 1.222 20 0 EDADMP COCCOCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371159485 446661877 /nfs/dbraw/zinc/66/18/77/446661877.db2.gz CZHZYCKQNZORCQ-UHFFFAOYSA-N 2 1 341.540 1.778 20 0 EDADMP COCCOCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371159485 446661881 /nfs/dbraw/zinc/66/18/81/446661881.db2.gz CZHZYCKQNZORCQ-UHFFFAOYSA-N 3 1 341.540 1.778 20 0 EDADMP COCCOCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371159485 446661893 /nfs/dbraw/zinc/66/18/93/446661893.db2.gz CZHZYCKQNZORCQ-UHFFFAOYSA-N 3 1 341.540 1.778 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000423734899 446668591 /nfs/dbraw/zinc/66/85/91/446668591.db2.gz BNBDXCJXNPNQCE-AZUAARDMSA-N 2 1 344.503 1.489 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@]2(COC)CCC[NH2+]2)C[C@@H]1C ZINC000418649950 446633523 /nfs/dbraw/zinc/63/35/23/446633523.db2.gz FEYZCHQDMGRGSL-YQQAZPJKSA-N 2 1 326.485 1.269 20 0 EDADMP COC[C@@]1(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCC[NH2+]1 ZINC000418650010 446633530 /nfs/dbraw/zinc/63/35/30/446633530.db2.gz FKADXSXNWUXHLG-WMZOPIPTSA-N 2 1 338.496 1.128 20 0 EDADMP CCC[C@H](C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)[NH+](C)C ZINC000371225025 446701625 /nfs/dbraw/zinc/70/16/25/446701625.db2.gz FOCQQDXAQMDJJR-HZPDHXFCSA-N 2 1 333.480 1.909 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC000376758818 446702032 /nfs/dbraw/zinc/70/20/32/446702032.db2.gz RGZJZOYDSRBMKP-QGZVFWFLSA-N 2 1 335.423 1.443 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC000376758818 446702040 /nfs/dbraw/zinc/70/20/40/446702040.db2.gz RGZJZOYDSRBMKP-QGZVFWFLSA-N 2 1 335.423 1.443 20 0 EDADMP Cc1nc(N(C)C[C@@H]2CCC[NH+]2C)nc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000420633011 446713176 /nfs/dbraw/zinc/71/31/76/446713176.db2.gz IOOYMYSRDLVKJB-HOTGVXAUSA-N 2 1 347.511 1.241 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)cn2)CC1 ZINC000375317259 446716019 /nfs/dbraw/zinc/71/60/19/446716019.db2.gz GISLRTFEKNAPNQ-SJORKVTESA-N 2 1 331.464 1.372 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCO3)cn2)CC1 ZINC000375317259 446716024 /nfs/dbraw/zinc/71/60/24/446716024.db2.gz GISLRTFEKNAPNQ-SJORKVTESA-N 2 1 331.464 1.372 20 0 EDADMP C[C@H]1C[C@H]([NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC[N@@H+]1C ZINC000376824790 446739866 /nfs/dbraw/zinc/73/98/66/446739866.db2.gz YICZSNZHBLLYNC-XHSDSOJGSA-N 2 1 337.489 1.522 20 0 EDADMP C[C@H]1C[C@H]([NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC[N@H+]1C ZINC000376824790 446739872 /nfs/dbraw/zinc/73/98/72/446739872.db2.gz YICZSNZHBLLYNC-XHSDSOJGSA-N 2 1 337.489 1.522 20 0 EDADMP CC[N@H+]1CCCN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000376792314 446721369 /nfs/dbraw/zinc/72/13/69/446721369.db2.gz UEUWPXOALDJACJ-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP CC[NH+]1CCCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000376792314 446721376 /nfs/dbraw/zinc/72/13/76/446721376.db2.gz UEUWPXOALDJACJ-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP CC[NH+]1CCCN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000376792314 446721384 /nfs/dbraw/zinc/72/13/84/446721384.db2.gz UEUWPXOALDJACJ-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000371265256 446725482 /nfs/dbraw/zinc/72/54/82/446725482.db2.gz YGPYDOQUKQFYDS-OAHLLOKOSA-N 2 1 334.464 1.111 20 0 EDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000418760194 446678781 /nfs/dbraw/zinc/67/87/81/446678781.db2.gz GYYZAOFZIPWZSD-VSZNYVQBSA-N 2 1 346.475 1.048 20 0 EDADMP CCC[NH+]1CCN(C2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)CC1 ZINC000371326789 446776915 /nfs/dbraw/zinc/77/69/15/446776915.db2.gz KHSNEONVVBUQOF-UHFFFAOYSA-N 2 1 346.523 1.535 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[C@H](C)[NH3+] ZINC000423931663 446784158 /nfs/dbraw/zinc/78/41/58/446784158.db2.gz MOITZTWACNONMP-XJNFMUPTSA-N 2 1 335.496 1.539 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH+]1CCOCC1 ZINC000454227275 446816717 /nfs/dbraw/zinc/81/67/17/446816717.db2.gz LWSRXJDHPSIBGT-GVDBMIGSSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH+]1CCOCC1 ZINC000454227275 446816725 /nfs/dbraw/zinc/81/67/25/446816725.db2.gz LWSRXJDHPSIBGT-GVDBMIGSSA-N 2 1 338.496 1.079 20 0 EDADMP CCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424018492 446824864 /nfs/dbraw/zinc/82/48/64/446824864.db2.gz JFHOPHYQQCXBCD-KRWDZBQOSA-N 2 1 332.492 1.614 20 0 EDADMP C[C@@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000424018697 446824937 /nfs/dbraw/zinc/82/49/37/446824937.db2.gz QNRZBDGOZGXINR-MJGOQNOKSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C[NH3+] ZINC000424063993 446836554 /nfs/dbraw/zinc/83/65/54/446836554.db2.gz DKFDIZLONBQGIO-NEPXVJNWSA-N 2 1 345.487 1.719 20 0 EDADMP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C[NH3+] ZINC000424063993 446836557 /nfs/dbraw/zinc/83/65/57/446836557.db2.gz DKFDIZLONBQGIO-NEPXVJNWSA-N 2 1 345.487 1.719 20 0 EDADMP CCS(=O)(=O)NCC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375443312 446803039 /nfs/dbraw/zinc/80/30/39/446803039.db2.gz CHVCCMVXKSLBJA-IAGOWNOFSA-N 2 1 339.505 1.598 20 0 EDADMP CCS(=O)(=O)NCC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375443312 446803047 /nfs/dbraw/zinc/80/30/47/446803047.db2.gz CHVCCMVXKSLBJA-IAGOWNOFSA-N 2 1 339.505 1.598 20 0 EDADMP COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420927986 446900478 /nfs/dbraw/zinc/90/04/78/446900478.db2.gz AWLYECXSWZZNTR-LJQANCHMSA-N 2 1 332.444 1.904 20 0 EDADMP COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420927986 446900482 /nfs/dbraw/zinc/90/04/82/446900482.db2.gz AWLYECXSWZZNTR-LJQANCHMSA-N 2 1 332.444 1.904 20 0 EDADMP CSC1(CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC[NH+](C)CC1 ZINC000420853678 446857034 /nfs/dbraw/zinc/85/70/34/446857034.db2.gz YJBJFPFXCFWHTN-AWEZNQCLSA-N 2 1 328.526 1.549 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419100468 446923988 /nfs/dbraw/zinc/92/39/88/446923988.db2.gz BUXUKROWORKHMY-DJIMGWMZSA-N 2 1 346.475 1.009 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000442767188 446960145 /nfs/dbraw/zinc/96/01/45/446960145.db2.gz YAOCDWKITMHGTP-HOCLYGCPSA-N 2 1 336.505 1.061 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000442767188 446960154 /nfs/dbraw/zinc/96/01/54/446960154.db2.gz YAOCDWKITMHGTP-HOCLYGCPSA-N 2 1 336.505 1.061 20 0 EDADMP C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000419213162 447014110 /nfs/dbraw/zinc/01/41/10/447014110.db2.gz LBUYXJSXVWKYGT-UHFFFAOYSA-N 2 1 348.491 1.211 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000420995927 446973491 /nfs/dbraw/zinc/97/34/91/446973491.db2.gz AJVCNAGSGXUDDS-FMKPAKJESA-N 2 1 326.481 1.741 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000420995927 446973497 /nfs/dbraw/zinc/97/34/97/446973497.db2.gz AJVCNAGSGXUDDS-FMKPAKJESA-N 2 1 326.481 1.741 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000420995927 446973500 /nfs/dbraw/zinc/97/35/00/446973500.db2.gz AJVCNAGSGXUDDS-FMKPAKJESA-N 2 1 326.481 1.741 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000420995927 446973503 /nfs/dbraw/zinc/97/35/03/446973503.db2.gz AJVCNAGSGXUDDS-FMKPAKJESA-N 2 1 326.481 1.741 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062252 447002110 /nfs/dbraw/zinc/00/21/10/447002110.db2.gz UBZBMDVNYOIAMH-MRXNPFEDSA-N 2 1 333.476 1.900 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000425325936 447116545 /nfs/dbraw/zinc/11/65/45/447116545.db2.gz OXSXRBGSFGYTFC-MRXNPFEDSA-N 2 1 325.497 1.820 20 0 EDADMP C[N@@H+](C[C@@](C)(O)c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375829848 447085547 /nfs/dbraw/zinc/08/55/47/447085547.db2.gz HTOBPVZIYBVDOP-VQTJNVASSA-N 2 1 331.504 1.994 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425397059 447142248 /nfs/dbraw/zinc/14/22/48/447142248.db2.gz QUIKULUSAODWJQ-GOEBONIOSA-N 2 1 325.497 1.410 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000372570055 447149117 /nfs/dbraw/zinc/14/91/17/447149117.db2.gz CSDJNFUILQSVPT-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000372570055 447149120 /nfs/dbraw/zinc/14/91/20/447149120.db2.gz CSDJNFUILQSVPT-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP COc1cccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000375897806 447131249 /nfs/dbraw/zinc/13/12/49/447131249.db2.gz LSSWVGXANAOZBS-KSZLIROESA-N 2 1 331.460 1.887 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCCC[C@@H]3C)C2)CC1 ZINC000375903182 447134792 /nfs/dbraw/zinc/13/47/92/447134792.db2.gz HHYXAFSCXPYVIS-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCCC[C@@H]3C)C2)CC1 ZINC000375903182 447134803 /nfs/dbraw/zinc/13/48/03/447134803.db2.gz HHYXAFSCXPYVIS-ZWKOTPCHSA-N 2 1 336.524 1.488 20 0 EDADMP CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455624528 447188602 /nfs/dbraw/zinc/18/86/02/447188602.db2.gz NAYKEKXIYJQKPT-CQSZACIVSA-N 2 1 333.436 1.857 20 0 EDADMP O[C@@H]1CC[C@@H]2C[NH+](C/C=C/C[N@@H+]3C[C@@H]4CC[C@H](O)C[C@@H]4C3)C[C@@H]2C1 ZINC000425530302 447214475 /nfs/dbraw/zinc/21/44/75/447214475.db2.gz ZGRXYRARIBYFES-WJXXMDLASA-N 2 1 334.504 1.728 20 0 EDADMP O[C@@H]1CC[C@@H]2C[N@@H+](C/C=C/C[NH+]3C[C@@H]4CC[C@H](O)C[C@@H]4C3)C[C@@H]2C1 ZINC000425530302 447214483 /nfs/dbraw/zinc/21/44/83/447214483.db2.gz ZGRXYRARIBYFES-WJXXMDLASA-N 2 1 334.504 1.728 20 0 EDADMP O[C@@H]1CC[C@@H]2C[N@H+](C/C=C/C[NH+]3C[C@@H]4CC[C@H](O)C[C@@H]4C3)C[C@@H]2C1 ZINC000425530302 447214490 /nfs/dbraw/zinc/21/44/90/447214490.db2.gz ZGRXYRARIBYFES-WJXXMDLASA-N 2 1 334.504 1.728 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000377619043 447248447 /nfs/dbraw/zinc/24/84/47/447248447.db2.gz CWZZMGDZUMGLEH-SCLBCKFNSA-N 2 1 328.416 1.554 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000377619043 447248453 /nfs/dbraw/zinc/24/84/53/447248453.db2.gz CWZZMGDZUMGLEH-SCLBCKFNSA-N 2 1 328.416 1.554 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000372750857 447267097 /nfs/dbraw/zinc/26/70/97/447267097.db2.gz LEUOYAQKTBUFFE-SFHVURJKSA-N 2 1 337.508 1.964 20 0 EDADMP CC(C)[NH+](CCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)C ZINC000369027087 447272462 /nfs/dbraw/zinc/27/24/62/447272462.db2.gz LAMKVBGMWYUAJH-HZPDHXFCSA-N 2 1 326.485 1.268 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1(N2CCOCC2)CCCC1 ZINC000372820580 447301945 /nfs/dbraw/zinc/30/19/45/447301945.db2.gz IGXGEVYKSWNYRC-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP [NH3+]CCc1nc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000379851460 447456082 /nfs/dbraw/zinc/45/60/82/447456082.db2.gz GZCSWBMDMQDFSZ-OAHLLOKOSA-N 2 1 344.484 1.896 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495362987 447493119 /nfs/dbraw/zinc/49/31/19/447493119.db2.gz SXBYFGDDMAVZOD-QGZVFWFLSA-N 2 1 327.469 1.290 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495362987 447493124 /nfs/dbraw/zinc/49/31/24/447493124.db2.gz SXBYFGDDMAVZOD-QGZVFWFLSA-N 2 1 327.469 1.290 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000390896002 447505240 /nfs/dbraw/zinc/50/52/40/447505240.db2.gz KFSDPUFGPAKSTN-ZWKOTPCHSA-N 2 1 331.460 1.393 20 0 EDADMP CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000420027752 447553560 /nfs/dbraw/zinc/55/35/60/447553560.db2.gz LEURMDZVIZAPNI-ZOBUZTSGSA-N 2 1 346.475 1.134 20 0 EDADMP Cn1cncc1CCN1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000459354987 447643762 /nfs/dbraw/zinc/64/37/62/447643762.db2.gz VSWZXXPNPSVTPS-UHFFFAOYSA-N 2 1 348.472 1.406 20 0 EDADMP C[C@H]1CCC[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)[C@@H]1CC[NH3+] ZINC000404271037 447597403 /nfs/dbraw/zinc/59/74/03/447597403.db2.gz KTGNDGPFCGLZPR-XJKSGUPXSA-N 2 1 341.477 1.162 20 0 EDADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000404391224 447600715 /nfs/dbraw/zinc/60/07/15/447600715.db2.gz PNGJVZSRGXMXKR-BMFAXAFESA-N 2 1 345.487 1.875 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000420112476 447608980 /nfs/dbraw/zinc/60/89/80/447608980.db2.gz DIIFUFJNSYVVIT-YOEHRIQHSA-N 2 1 346.475 1.264 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)[NH+]1CCC[C@@H](C)C1 ZINC000457695042 447621689 /nfs/dbraw/zinc/62/16/89/447621689.db2.gz CVSXNXOGGXHZSU-BRWVUGGUSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCCC[NH+]1CCO)[N@@H+]1CCC[C@@H](C)C1 ZINC000457695042 447621695 /nfs/dbraw/zinc/62/16/95/447621695.db2.gz CVSXNXOGGXHZSU-BRWVUGGUSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCCC[NH+]1CCO)[N@H+]1CCC[C@@H](C)C1 ZINC000457695042 447621699 /nfs/dbraw/zinc/62/16/99/447621699.db2.gz CVSXNXOGGXHZSU-BRWVUGGUSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])C1 ZINC000416873488 447700548 /nfs/dbraw/zinc/70/05/48/447700548.db2.gz RWNHDEMFQZYOGM-OAGGEKHMSA-N 2 1 326.485 1.255 20 0 EDADMP C[NH2+]CC1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000420185551 447660397 /nfs/dbraw/zinc/66/03/97/447660397.db2.gz JTVSYLYPWZHRMK-UHFFFAOYSA-N 2 1 331.420 1.665 20 0 EDADMP COc1cc2[nH+]c(NCC[C@H]3CCC[NH2+]C3)nc(N)c2cc1OC ZINC000420186021 447660741 /nfs/dbraw/zinc/66/07/41/447660741.db2.gz CEMHQVCXTFPNCG-LLVKDONJSA-N 2 1 331.420 1.453 20 0 EDADMP C[NH2+]CC1CCN(c2nc(N[C@H]3CCCO[C@@H]3C(C)C)cc[nH+]2)CC1 ZINC000420187938 447662252 /nfs/dbraw/zinc/66/22/52/447662252.db2.gz MLGIHQXUDAFQPO-FUHWJXTLSA-N 2 1 347.507 2.528 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422632163 447679490 /nfs/dbraw/zinc/67/94/90/447679490.db2.gz GIZDRBCCIWASDR-ZOBUZTSGSA-N 2 1 333.476 1.659 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422632163 447679494 /nfs/dbraw/zinc/67/94/94/447679494.db2.gz GIZDRBCCIWASDR-ZOBUZTSGSA-N 2 1 333.476 1.659 20 0 EDADMP CON1CCC([NH+](C)CCC[N@H+](C)C2CCN(OC)CC2)CC1 ZINC000459575046 447710437 /nfs/dbraw/zinc/71/04/37/447710437.db2.gz CQCDCQWLWMVDCS-UHFFFAOYSA-N 2 1 328.501 1.292 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(C)CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000416924832 447711290 /nfs/dbraw/zinc/71/12/90/447711290.db2.gz RRJPADCJJSJLAQ-OKILXGFUSA-N 2 1 328.501 1.501 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000416924832 447711293 /nfs/dbraw/zinc/71/12/93/447711293.db2.gz RRJPADCJJSJLAQ-OKILXGFUSA-N 2 1 328.501 1.501 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000416935933 447715013 /nfs/dbraw/zinc/71/50/13/447715013.db2.gz HJKKGBPFMGPZBS-DOTOQJQBSA-N 2 1 340.512 1.502 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000416937824 447715647 /nfs/dbraw/zinc/71/56/47/447715647.db2.gz JSQBCXGBHZXKEY-OAHLLOKOSA-N 2 1 328.501 1.550 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000416938082 447716282 /nfs/dbraw/zinc/71/62/82/447716282.db2.gz KKMMWMWXPWRMRM-CVEARBPZSA-N 2 1 328.501 1.550 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000416944025 447719799 /nfs/dbraw/zinc/71/97/99/447719799.db2.gz CTIIRDCPGQJUAR-XIRDDKMYSA-N 2 1 340.512 1.502 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416949138 447722255 /nfs/dbraw/zinc/72/22/55/447722255.db2.gz ZRICZSCXSNFSEF-HZPDHXFCSA-N 2 1 326.485 1.256 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC000459666445 447735690 /nfs/dbraw/zinc/73/56/90/447735690.db2.gz CDXONRVBZKPGKJ-SJORKVTESA-N 2 1 335.492 1.476 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417254512 447738438 /nfs/dbraw/zinc/73/84/38/447738438.db2.gz DMDFSXUBBPMVOY-DZGCQCFKSA-N 2 1 334.489 1.357 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417254512 447738445 /nfs/dbraw/zinc/73/84/45/447738445.db2.gz DMDFSXUBBPMVOY-DZGCQCFKSA-N 2 1 334.489 1.357 20 0 EDADMP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)ccn1 ZINC000423023910 447793190 /nfs/dbraw/zinc/79/31/90/447793190.db2.gz KSURIBLKFPKTOR-KZNAEPCWSA-N 3 1 348.491 1.269 20 0 EDADMP C[C@@H](CCNC(=O)N1CCN(C)C[C@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000569676592 447863366 /nfs/dbraw/zinc/86/33/66/447863366.db2.gz LQJWBACDTUPHLW-FUHWJXTLSA-N 3 1 347.507 1.181 20 0 EDADMP CC(=O)N1CC([NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000575429834 447859664 /nfs/dbraw/zinc/85/96/64/447859664.db2.gz DRKFIQBMHNJYRM-KRWDZBQOSA-N 2 1 329.444 1.795 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551867803 447911593 /nfs/dbraw/zinc/91/15/93/447911593.db2.gz ZVUKZBYCJKOWBQ-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551867803 447911598 /nfs/dbraw/zinc/91/15/98/447911598.db2.gz ZVUKZBYCJKOWBQ-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551867803 447911603 /nfs/dbraw/zinc/91/16/03/447911603.db2.gz ZVUKZBYCJKOWBQ-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP O=C(N1CC[C@@H]([NH+]2CCCC2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530815011 447964331 /nfs/dbraw/zinc/96/43/31/447964331.db2.gz GMZPEGXIUYAWNO-UYAOXDASSA-N 2 1 343.471 1.320 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)CN(C)C3)C1 ZINC000530806208 447960358 /nfs/dbraw/zinc/96/03/58/447960358.db2.gz MZHLAHLCIHEPLS-ZDUSSCGKSA-N 2 1 330.432 1.029 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000530806208 447960360 /nfs/dbraw/zinc/96/03/60/447960360.db2.gz MZHLAHLCIHEPLS-ZDUSSCGKSA-N 2 1 330.432 1.029 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000530806208 447960362 /nfs/dbraw/zinc/96/03/62/447960362.db2.gz MZHLAHLCIHEPLS-ZDUSSCGKSA-N 2 1 330.432 1.029 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000530806208 447960364 /nfs/dbraw/zinc/96/03/64/447960364.db2.gz MZHLAHLCIHEPLS-ZDUSSCGKSA-N 2 1 330.432 1.029 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000524954784 447961673 /nfs/dbraw/zinc/96/16/73/447961673.db2.gz LWXWXIVUHWHSTP-BHIYHBOVSA-N 2 1 347.503 1.978 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000524954784 447961676 /nfs/dbraw/zinc/96/16/76/447961676.db2.gz LWXWXIVUHWHSTP-BHIYHBOVSA-N 2 1 347.503 1.978 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530587718 447922366 /nfs/dbraw/zinc/92/23/66/447922366.db2.gz SDOYCYWKSPNSFM-ICSRJNTNSA-N 2 1 345.487 1.424 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530587718 447922370 /nfs/dbraw/zinc/92/23/70/447922370.db2.gz SDOYCYWKSPNSFM-ICSRJNTNSA-N 2 1 345.487 1.424 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000530587718 447922377 /nfs/dbraw/zinc/92/23/77/447922377.db2.gz SDOYCYWKSPNSFM-ICSRJNTNSA-N 2 1 345.487 1.424 20 0 EDADMP OC[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](CO)CC3)COC2)CC1 ZINC000569943731 447925320 /nfs/dbraw/zinc/92/53/20/447925320.db2.gz CKLKIPMDUOEUCH-HDICACEKSA-N 2 1 340.508 1.192 20 0 EDADMP OC[C@@H]1CCC[N@@H+](CC2(C[NH+]3CCC[C@H](CO)CC3)COC2)CC1 ZINC000569943731 447925323 /nfs/dbraw/zinc/92/53/23/447925323.db2.gz CKLKIPMDUOEUCH-HDICACEKSA-N 2 1 340.508 1.192 20 0 EDADMP OC[C@@H]1CCC[N@H+](CC2(C[NH+]3CCC[C@H](CO)CC3)COC2)CC1 ZINC000569943731 447925328 /nfs/dbraw/zinc/92/53/28/447925328.db2.gz CKLKIPMDUOEUCH-HDICACEKSA-N 2 1 340.508 1.192 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000576211663 447999563 /nfs/dbraw/zinc/99/95/63/447999563.db2.gz UGEONEBNXUUMEB-NJAFHUGGSA-N 2 1 345.491 1.025 20 0 EDADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497213124 447966677 /nfs/dbraw/zinc/96/66/77/447966677.db2.gz HMFQHDXEUWZPLK-HZPDHXFCSA-N 2 1 343.512 1.878 20 0 EDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497213124 447966681 /nfs/dbraw/zinc/96/66/81/447966681.db2.gz HMFQHDXEUWZPLK-HZPDHXFCSA-N 2 1 343.512 1.878 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000576091995 447968155 /nfs/dbraw/zinc/96/81/55/447968155.db2.gz OGRADVYLXPXPJN-JKSUJKDBSA-N 2 1 340.512 1.565 20 0 EDADMP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)C1 ZINC000576282610 448018673 /nfs/dbraw/zinc/01/86/73/448018673.db2.gz LLOMSAQJOUIJOH-IYBDPMFKSA-N 2 1 342.443 1.649 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496913208 448031153 /nfs/dbraw/zinc/03/11/53/448031153.db2.gz RXHGXMGJEMMGCT-XHSDSOJGSA-N 2 1 343.512 1.924 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496913208 448031157 /nfs/dbraw/zinc/03/11/57/448031157.db2.gz RXHGXMGJEMMGCT-XHSDSOJGSA-N 2 1 343.512 1.924 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496913208 448031160 /nfs/dbraw/zinc/03/11/60/448031160.db2.gz RXHGXMGJEMMGCT-XHSDSOJGSA-N 2 1 343.512 1.924 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496913208 448031164 /nfs/dbraw/zinc/03/11/64/448031164.db2.gz RXHGXMGJEMMGCT-XHSDSOJGSA-N 2 1 343.512 1.924 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000576451153 448058170 /nfs/dbraw/zinc/05/81/70/448058170.db2.gz OJZULJWCDSIVGZ-MXSMSXNCSA-N 2 1 330.476 1.804 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H](O)CNCC(C)(C)[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000576457275 448059559 /nfs/dbraw/zinc/05/95/59/448059559.db2.gz CRQHKDHOBKTMPN-ZACQAIPSSA-N 2 1 327.513 1.311 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000570836381 448073169 /nfs/dbraw/zinc/07/31/69/448073169.db2.gz GUOXWIYQLIUBAI-CRAIPNDOSA-N 2 1 347.459 1.459 20 0 EDADMP Cc1nn(C)c2ncc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)cc12 ZINC000576584181 448090938 /nfs/dbraw/zinc/09/09/38/448090938.db2.gz JJBLDGMUSBWXTO-OAHLLOKOSA-N 2 1 329.448 1.464 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@H]2C1 ZINC000502737999 448103991 /nfs/dbraw/zinc/10/39/91/448103991.db2.gz HICZMGGTFOFKFE-FGTMMUONSA-N 2 1 335.492 1.715 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@H]2C1 ZINC000502737999 448103995 /nfs/dbraw/zinc/10/39/95/448103995.db2.gz HICZMGGTFOFKFE-FGTMMUONSA-N 2 1 335.492 1.715 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@H]2C1 ZINC000502737999 448104000 /nfs/dbraw/zinc/10/40/00/448104000.db2.gz HICZMGGTFOFKFE-FGTMMUONSA-N 2 1 335.492 1.715 20 0 EDADMP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H](C)[NH+](C)Cc3ccccc3)[C@H]2C1 ZINC000502653698 448104173 /nfs/dbraw/zinc/10/41/73/448104173.db2.gz NKFXBSAHNBAOSF-YTQUADARSA-N 2 1 345.487 1.829 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H](C)[NH+](C)Cc3ccccc3)[C@H]2C1 ZINC000502653698 448104180 /nfs/dbraw/zinc/10/41/80/448104180.db2.gz NKFXBSAHNBAOSF-YTQUADARSA-N 2 1 345.487 1.829 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H](C)[N@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000502653698 448104186 /nfs/dbraw/zinc/10/41/86/448104186.db2.gz NKFXBSAHNBAOSF-YTQUADARSA-N 2 1 345.487 1.829 20 0 EDADMP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H](C)[N@@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000502653698 448104192 /nfs/dbraw/zinc/10/41/92/448104192.db2.gz NKFXBSAHNBAOSF-YTQUADARSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000512441898 448158196 /nfs/dbraw/zinc/15/81/96/448158196.db2.gz SPJMXHYSOMXFEI-XIRDDKMYSA-N 2 1 333.480 1.666 20 0 EDADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571464567 448158817 /nfs/dbraw/zinc/15/88/17/448158817.db2.gz XXOCSTYFIHCDDU-MPKXVKKWSA-N 2 1 325.359 1.593 20 0 EDADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571464567 448158821 /nfs/dbraw/zinc/15/88/21/448158821.db2.gz XXOCSTYFIHCDDU-MPKXVKKWSA-N 2 1 325.359 1.593 20 0 EDADMP C[C@]1(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000576687444 448113762 /nfs/dbraw/zinc/11/37/62/448113762.db2.gz BJPWKVAEYRCMQP-NUJGCVRESA-N 2 1 338.496 1.319 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497009983 448120182 /nfs/dbraw/zinc/12/01/82/448120182.db2.gz JFWGNXRRSSJKLT-CABCVRRESA-N 2 1 329.485 1.488 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497009983 448120188 /nfs/dbraw/zinc/12/01/88/448120188.db2.gz JFWGNXRRSSJKLT-CABCVRRESA-N 2 1 329.485 1.488 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497009983 448120193 /nfs/dbraw/zinc/12/01/93/448120193.db2.gz JFWGNXRRSSJKLT-CABCVRRESA-N 2 1 329.485 1.488 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497009983 448120200 /nfs/dbraw/zinc/12/02/00/448120200.db2.gz JFWGNXRRSSJKLT-CABCVRRESA-N 2 1 329.485 1.488 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)CC1 ZINC000571281473 448127108 /nfs/dbraw/zinc/12/71/08/448127108.db2.gz ZNFCQXBRDQTZFE-UHFFFAOYSA-N 2 1 346.475 1.380 20 0 EDADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000576731534 448129122 /nfs/dbraw/zinc/12/91/22/448129122.db2.gz GNPOLXDKGZAVLJ-PVAVHDDUSA-N 2 1 348.495 1.411 20 0 EDADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000576731534 448129124 /nfs/dbraw/zinc/12/91/24/448129124.db2.gz GNPOLXDKGZAVLJ-PVAVHDDUSA-N 2 1 348.495 1.411 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)[nH+]c1 ZINC000576807461 448143964 /nfs/dbraw/zinc/14/39/64/448143964.db2.gz VLNHYNPJNVTJFE-SFHVURJKSA-N 2 1 331.464 1.977 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000511510167 448153327 /nfs/dbraw/zinc/15/33/27/448153327.db2.gz ZKDJOVSFUPETGM-BBWFWOEESA-N 2 1 338.496 1.223 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2cnccn2)CC1 ZINC000527235727 448190443 /nfs/dbraw/zinc/19/04/43/448190443.db2.gz FKCIJUUDNHUKGE-UHFFFAOYSA-N 2 1 326.404 1.195 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@]3(CCCOC3)C1)C[NH+]1CCC2CC1 ZINC000497097193 448196149 /nfs/dbraw/zinc/19/61/49/448196149.db2.gz HWWUVYIZNGULKC-RBUKOAKNSA-N 2 1 349.475 1.753 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@]3(CCCOC3)C1)C[NH+]1CCC2CC1 ZINC000497097193 448196156 /nfs/dbraw/zinc/19/61/56/448196156.db2.gz HWWUVYIZNGULKC-RBUKOAKNSA-N 2 1 349.475 1.753 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])N1CC[NH+](C)CC1 ZINC000571795581 448208458 /nfs/dbraw/zinc/20/84/58/448208458.db2.gz GHPPYWCOZZZURF-SQNIBIBYSA-N 2 1 338.540 1.672 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000576898595 448167279 /nfs/dbraw/zinc/16/72/79/448167279.db2.gz IYPLGVTZWWAMSE-QZTJIDSGSA-N 2 1 332.492 1.432 20 0 EDADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000571923309 448237303 /nfs/dbraw/zinc/23/73/03/448237303.db2.gz RYZAHQPOVMCIDL-ROUUACIJSA-N 2 1 342.439 1.821 20 0 EDADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000571923309 448237306 /nfs/dbraw/zinc/23/73/06/448237306.db2.gz RYZAHQPOVMCIDL-ROUUACIJSA-N 2 1 342.439 1.821 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000527524205 448247193 /nfs/dbraw/zinc/24/71/93/448247193.db2.gz LKFIXGIADQTHKZ-UHFFFAOYSA-N 2 1 344.463 1.684 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(F)F ZINC000582486394 448250852 /nfs/dbraw/zinc/25/08/52/448250852.db2.gz IXAWXWQUUJNIQH-LSDHHAIUSA-N 2 1 341.402 1.376 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(F)F ZINC000582486394 448250861 /nfs/dbraw/zinc/25/08/61/448250861.db2.gz IXAWXWQUUJNIQH-LSDHHAIUSA-N 2 1 341.402 1.376 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)O1 ZINC000527543754 448261247 /nfs/dbraw/zinc/26/12/47/448261247.db2.gz QFKFYNPTHUUPCD-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)O1 ZINC000527543754 448261255 /nfs/dbraw/zinc/26/12/55/448261255.db2.gz QFKFYNPTHUUPCD-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)O1 ZINC000527543754 448261261 /nfs/dbraw/zinc/26/12/61/448261261.db2.gz QFKFYNPTHUUPCD-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)O1 ZINC000527543754 448261268 /nfs/dbraw/zinc/26/12/68/448261268.db2.gz QFKFYNPTHUUPCD-BHIYHBOVSA-N 2 1 345.487 1.876 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000515851831 448358651 /nfs/dbraw/zinc/35/86/51/448358651.db2.gz INLBMMAXRJYJMK-XHSDSOJGSA-N 2 1 333.480 1.685 20 0 EDADMP C[C@@H](CN1CCOCC1)[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000515851343 448358942 /nfs/dbraw/zinc/35/89/42/448358942.db2.gz DPEOKMOAALULSY-IBGZPJMESA-N 2 1 346.519 1.115 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000516167745 448389893 /nfs/dbraw/zinc/38/98/93/448389893.db2.gz USUHKWPIKRXVCN-OAHLLOKOSA-N 2 1 332.448 1.942 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCOC[C@H]1C ZINC000591573244 448393500 /nfs/dbraw/zinc/39/35/00/448393500.db2.gz ODPLIBFGFAYKLS-BZUAXINKSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000582972307 448394435 /nfs/dbraw/zinc/39/44/35/448394435.db2.gz NAAOMPNIZNIWDL-UKRRQHHQSA-N 2 1 325.403 1.997 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000582972307 448394440 /nfs/dbraw/zinc/39/44/40/448394440.db2.gz NAAOMPNIZNIWDL-UKRRQHHQSA-N 2 1 325.403 1.997 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CCOC)C12CCCCC2 ZINC000577861676 448406315 /nfs/dbraw/zinc/40/63/15/448406315.db2.gz JQAQCLSDGQKVKQ-GVDBMIGSSA-N 2 1 328.497 1.643 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CCOC)C12CCCCC2 ZINC000577861676 448406316 /nfs/dbraw/zinc/40/63/16/448406316.db2.gz JQAQCLSDGQKVKQ-GVDBMIGSSA-N 2 1 328.497 1.643 20 0 EDADMP C[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000516098032 448380230 /nfs/dbraw/zinc/38/02/30/448380230.db2.gz GOAZLZYOKQKJPG-CGXNFDGLSA-N 3 1 343.515 1.868 20 0 EDADMP C[NH+]1CC[C@H](NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000516098032 448380235 /nfs/dbraw/zinc/38/02/35/448380235.db2.gz GOAZLZYOKQKJPG-CGXNFDGLSA-N 3 1 343.515 1.868 20 0 EDADMP C[NH+]1CC[C@H](NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000516098032 448380238 /nfs/dbraw/zinc/38/02/38/448380238.db2.gz GOAZLZYOKQKJPG-CGXNFDGLSA-N 3 1 343.515 1.868 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000516098032 448380243 /nfs/dbraw/zinc/38/02/43/448380243.db2.gz GOAZLZYOKQKJPG-CGXNFDGLSA-N 3 1 343.515 1.868 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000516098032 448380246 /nfs/dbraw/zinc/38/02/46/448380246.db2.gz GOAZLZYOKQKJPG-CGXNFDGLSA-N 2 1 343.515 1.868 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1)[C@@H]1CCC[NH2+]1 ZINC000566230583 448422107 /nfs/dbraw/zinc/42/21/07/448422107.db2.gz CFISGVOHXGZCNZ-YJBOKZPZSA-N 2 1 342.487 1.735 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000578039194 448447434 /nfs/dbraw/zinc/44/74/34/448447434.db2.gz DPYBSTWVGGNGIN-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000516643021 448454207 /nfs/dbraw/zinc/45/42/07/448454207.db2.gz VFHNREJMFUGFEI-GOEBONIOSA-N 2 1 339.505 1.851 20 0 EDADMP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H](C)[NH3+] ZINC000572957012 448504809 /nfs/dbraw/zinc/50/48/09/448504809.db2.gz WGTKTNDDCBSHRI-QFBILLFUSA-N 2 1 346.519 1.670 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000573083204 448538208 /nfs/dbraw/zinc/53/82/08/448538208.db2.gz PMDVJRAZNFQUHH-MRXNPFEDSA-N 2 1 345.487 1.818 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nnn(C)c3C)CC2)CC1 ZINC000573625201 448675638 /nfs/dbraw/zinc/67/56/38/448675638.db2.gz ZVIUVEYVRRTGIM-UHFFFAOYSA-N 2 1 334.468 1.258 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000567348380 448671913 /nfs/dbraw/zinc/67/19/13/448671913.db2.gz BEHUCWZRTHSBHL-INIZCTEOSA-N 2 1 348.495 1.395 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn2cc[nH+]c12 ZINC000573461090 448635378 /nfs/dbraw/zinc/63/53/78/448635378.db2.gz OXQGWEPVTKWZPG-CFVMTHIKSA-N 2 1 341.415 1.167 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000541720845 448687143 /nfs/dbraw/zinc/68/71/43/448687143.db2.gz CLTANDABJQREEG-QUCCMNQESA-N 2 1 345.487 1.472 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000541720845 448687147 /nfs/dbraw/zinc/68/71/47/448687147.db2.gz CLTANDABJQREEG-QUCCMNQESA-N 2 1 345.487 1.472 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000541720845 448687150 /nfs/dbraw/zinc/68/71/50/448687150.db2.gz CLTANDABJQREEG-QUCCMNQESA-N 2 1 345.487 1.472 20 0 EDADMP C[C@@H](CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)n1ccnc1 ZINC000579117609 448719520 /nfs/dbraw/zinc/71/95/20/448719520.db2.gz NCEVVLNKABMADJ-QFBILLFUSA-N 2 1 342.443 1.587 20 0 EDADMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000579149761 448728514 /nfs/dbraw/zinc/72/85/14/448728514.db2.gz KROYFCWYVYYLKY-NVXWUHKLSA-N 2 1 325.497 1.602 20 0 EDADMP C[C@@H]1[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC(=O)N1Cc1ccccc1 ZINC000567700412 448739721 /nfs/dbraw/zinc/73/97/21/448739721.db2.gz LKNAGCUWDKBLHK-FHLIZLRMSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@@H]1[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC(=O)N1Cc1ccccc1 ZINC000567700412 448739726 /nfs/dbraw/zinc/73/97/26/448739726.db2.gz LKNAGCUWDKBLHK-FHLIZLRMSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000519600194 448796226 /nfs/dbraw/zinc/79/62/26/448796226.db2.gz NFUPUPCEHHRFFS-VBNZEHGJSA-N 2 1 330.432 1.073 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000519600194 448796233 /nfs/dbraw/zinc/79/62/33/448796233.db2.gz NFUPUPCEHHRFFS-VBNZEHGJSA-N 2 1 330.432 1.073 20 0 EDADMP O=C1CNC(=O)N1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568509915 448882682 /nfs/dbraw/zinc/88/26/82/448882682.db2.gz HDMBPJSOOKEYFB-INIZCTEOSA-N 2 1 342.443 1.325 20 0 EDADMP O=C1CNC(=O)N1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568509915 448882686 /nfs/dbraw/zinc/88/26/86/448882686.db2.gz HDMBPJSOOKEYFB-INIZCTEOSA-N 2 1 342.443 1.325 20 0 EDADMP CN(CCC[N@@H+](C)Cc1cc2ccccc2n(C)c1=O)CC[NH+](C)C ZINC000579727212 448864644 /nfs/dbraw/zinc/86/46/44/448864644.db2.gz AFPIQZNVVFZXSM-UHFFFAOYSA-N 2 1 344.503 1.854 20 0 EDADMP CC[C@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000574548841 448901063 /nfs/dbraw/zinc/90/10/63/448901063.db2.gz MWWAQWPEBOOJNQ-OKZBNKHCSA-N 2 1 346.475 1.409 20 0 EDADMP CC[C@H](NC(=O)N1CC[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000574548841 448901066 /nfs/dbraw/zinc/90/10/66/448901066.db2.gz MWWAQWPEBOOJNQ-OKZBNKHCSA-N 2 1 346.475 1.409 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000520372330 448889166 /nfs/dbraw/zinc/88/91/66/448889166.db2.gz KKFNPKFWUOMVBR-RTBURBONSA-N 2 1 342.487 1.846 20 0 EDADMP Fc1ccc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000529539119 448893423 /nfs/dbraw/zinc/89/34/23/448893423.db2.gz SPWLWAULFANFRJ-UHFFFAOYSA-N 2 1 329.423 1.918 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@H+](C3CCOCC3)C[C@H]1C)CC2 ZINC000569011147 448952064 /nfs/dbraw/zinc/95/20/64/448952064.db2.gz ZHDDPZHYSSKOMA-GDBMZVCRSA-N 2 1 346.475 1.466 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@@H+](C3CCOCC3)C[C@H]1C)CC2 ZINC000569011147 448952071 /nfs/dbraw/zinc/95/20/71/448952071.db2.gz ZHDDPZHYSSKOMA-GDBMZVCRSA-N 2 1 346.475 1.466 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000521063016 448952351 /nfs/dbraw/zinc/95/23/51/448952351.db2.gz GTCVHDYCZMDWIX-QZTJIDSGSA-N 2 1 345.487 1.388 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CCCC(=O)N1CCc2ccccc21)C1CC1 ZINC000575039732 449018970 /nfs/dbraw/zinc/01/89/70/449018970.db2.gz CAGQVTATKJYEBC-QGZVFWFLSA-N 2 1 331.460 1.401 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CCCC(=O)N1CCc2ccccc21)C1CC1 ZINC000575039732 449018977 /nfs/dbraw/zinc/01/89/77/449018977.db2.gz CAGQVTATKJYEBC-QGZVFWFLSA-N 2 1 331.460 1.401 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000521881086 449023477 /nfs/dbraw/zinc/02/34/77/449023477.db2.gz PWTVYNWVJMOVBV-CJNGLKHVSA-N 2 1 338.839 1.502 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1(COC)CC1 ZINC000582183036 449032065 /nfs/dbraw/zinc/03/20/65/449032065.db2.gz YOZAVPWZMBZHNJ-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP C[C@H](C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1)C1C[NH2+]C1 ZINC000575396527 449088605 /nfs/dbraw/zinc/08/86/05/449088605.db2.gz UWWRQPJYNVOVNG-DZGCQCFKSA-N 2 1 336.505 1.008 20 0 EDADMP C[C@@H](C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccc(F)cc1 ZINC000530243527 449092746 /nfs/dbraw/zinc/09/27/46/449092746.db2.gz RVGQWHLKTJEUBR-HNNXBMFYSA-N 2 1 334.439 1.572 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593735078 449169433 /nfs/dbraw/zinc/16/94/33/449169433.db2.gz XNTSARNZYPUPTR-UGUYLWEFSA-N 2 1 338.496 1.840 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593735078 449169436 /nfs/dbraw/zinc/16/94/36/449169436.db2.gz XNTSARNZYPUPTR-UGUYLWEFSA-N 2 1 338.496 1.840 20 0 EDADMP COC(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000593737130 449172343 /nfs/dbraw/zinc/17/23/43/449172343.db2.gz NPHIEKJEVUYAQX-UHFFFAOYSA-N 2 1 333.432 1.781 20 0 EDADMP CCOC(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000600110193 449194671 /nfs/dbraw/zinc/19/46/71/449194671.db2.gz XWPCSHKLAMWNPM-UHFFFAOYSA-N 2 1 347.459 1.803 20 0 EDADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)C2 ZINC000598682535 449540920 /nfs/dbraw/zinc/54/09/20/449540920.db2.gz OKEFYMHUYPCVSK-CRAIPNDOSA-N 2 1 330.432 1.216 20 0 EDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)C2 ZINC000598682535 449540925 /nfs/dbraw/zinc/54/09/25/449540925.db2.gz OKEFYMHUYPCVSK-CRAIPNDOSA-N 2 1 330.432 1.216 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC12CCC[NH+]1CCC2 ZINC000614225521 449514821 /nfs/dbraw/zinc/51/48/21/449514821.db2.gz QFWXXULGWJVSRX-UHFFFAOYSA-N 2 1 342.447 1.581 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000617348813 449568934 /nfs/dbraw/zinc/56/89/34/449568934.db2.gz HAMGDBMTQFEWDO-YLJYHZDGSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000617348813 449568936 /nfs/dbraw/zinc/56/89/36/449568936.db2.gz HAMGDBMTQFEWDO-YLJYHZDGSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000617348813 449568939 /nfs/dbraw/zinc/56/89/39/449568939.db2.gz HAMGDBMTQFEWDO-YLJYHZDGSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)OC(C)(C)C ZINC000594516360 449559932 /nfs/dbraw/zinc/55/99/32/449559932.db2.gz VYRLXJQHBQBVGB-CQSZACIVSA-N 2 1 349.479 1.296 20 0 EDADMP CC[C@H](CNC(=O)CN1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000600947334 449609136 /nfs/dbraw/zinc/60/91/36/449609136.db2.gz NKKRQHUPGAZGQC-LJQANCHMSA-N 2 1 344.503 1.187 20 0 EDADMP CC[C@H](CNC(=O)CN1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000600947334 449609144 /nfs/dbraw/zinc/60/91/44/449609144.db2.gz NKKRQHUPGAZGQC-LJQANCHMSA-N 2 1 344.503 1.187 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2c(c1)N(C)CCO2 ZINC000617507169 449656380 /nfs/dbraw/zinc/65/63/80/449656380.db2.gz LDMHQDWEGWYGRV-HNNXBMFYSA-N 2 1 348.491 1.517 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2c(c1)N(C)CCO2 ZINC000617507169 449656386 /nfs/dbraw/zinc/65/63/86/449656386.db2.gz LDMHQDWEGWYGRV-HNNXBMFYSA-N 2 1 348.491 1.517 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2nsnc2c1 ZINC000617506534 449656964 /nfs/dbraw/zinc/65/69/64/449656964.db2.gz RNQRXPIHCUBQAW-LBPRGKRZSA-N 2 1 335.477 1.693 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2nsnc2c1 ZINC000617506534 449656971 /nfs/dbraw/zinc/65/69/71/449656971.db2.gz RNQRXPIHCUBQAW-LBPRGKRZSA-N 2 1 335.477 1.693 20 0 EDADMP COc1ccc(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1F ZINC000617503418 449645848 /nfs/dbraw/zinc/64/58/48/449645848.db2.gz IECZFPJDUATNDZ-AWEZNQCLSA-N 2 1 339.455 1.765 20 0 EDADMP COc1ccc(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000617503418 449645851 /nfs/dbraw/zinc/64/58/51/449645851.db2.gz IECZFPJDUATNDZ-AWEZNQCLSA-N 2 1 339.455 1.765 20 0 EDADMP C[C@@H](CCNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000617753502 449817970 /nfs/dbraw/zinc/81/79/70/449817970.db2.gz DQEMMJYEHFZXDQ-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@@H](CCNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000617753502 449817974 /nfs/dbraw/zinc/81/79/74/449817974.db2.gz DQEMMJYEHFZXDQ-FUHWJXTLSA-N 2 1 333.476 1.734 20 0 EDADMP [NH3+][C@H]1CCCCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000601324066 449831883 /nfs/dbraw/zinc/83/18/83/449831883.db2.gz GVXXIUKQZOJSIC-INIZCTEOSA-N 2 1 332.448 1.606 20 0 EDADMP [NH3+][C@H]1CCCCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000601324066 449831886 /nfs/dbraw/zinc/83/18/86/449831886.db2.gz GVXXIUKQZOJSIC-INIZCTEOSA-N 2 1 332.448 1.606 20 0 EDADMP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H]1C[NH3+] ZINC000601326845 449834887 /nfs/dbraw/zinc/83/48/87/449834887.db2.gz QTHQPWUOEOSUBP-HBVLHIRESA-N 2 1 348.491 1.308 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H]1C[NH3+] ZINC000601326845 449834893 /nfs/dbraw/zinc/83/48/93/449834893.db2.gz QTHQPWUOEOSUBP-HBVLHIRESA-N 2 1 348.491 1.308 20 0 EDADMP COC(=O)[C@H]([N@@H+]1CCCN(c2cc[nH+]cc2)CC1)C1(OC)CCC1 ZINC000602849347 449855709 /nfs/dbraw/zinc/85/57/09/449855709.db2.gz QNIKXXRAXOJJIV-INIZCTEOSA-N 2 1 333.432 1.704 20 0 EDADMP COC(=O)[C@H]([N@H+]1CCCN(c2cc[nH+]cc2)CC1)C1(OC)CCC1 ZINC000602849347 449855712 /nfs/dbraw/zinc/85/57/12/449855712.db2.gz QNIKXXRAXOJJIV-INIZCTEOSA-N 2 1 333.432 1.704 20 0 EDADMP COC(=O)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[nH]1 ZINC000597187607 449862603 /nfs/dbraw/zinc/86/26/03/449862603.db2.gz RNXGNBVOJKUOIU-QGZVFWFLSA-N 2 1 343.427 1.658 20 0 EDADMP COC(=O)c1ccccc1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878544 449886478 /nfs/dbraw/zinc/88/64/78/449886478.db2.gz YJVYQDXBMHHJOY-UHFFFAOYSA-N 2 1 345.443 1.829 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)[C@H](C)C1 ZINC000612882842 449925302 /nfs/dbraw/zinc/92/53/02/449925302.db2.gz GWALNDOIFYDIDH-VYDXJSESSA-N 2 1 326.485 1.175 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612882302 449925398 /nfs/dbraw/zinc/92/53/98/449925398.db2.gz FZSVSDWXQYVEBT-LPHOPBHVSA-N 2 1 345.491 1.248 20 0 EDADMP C[N@H+](CCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)C1CCCCC1 ZINC000615542319 450134002 /nfs/dbraw/zinc/13/40/02/450134002.db2.gz DBPNWLOMRSPXHG-GOSISDBHSA-N 2 1 337.508 1.964 20 0 EDADMP C[N@@H+](CCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)C1CCCCC1 ZINC000615542319 450134005 /nfs/dbraw/zinc/13/40/05/450134005.db2.gz DBPNWLOMRSPXHG-GOSISDBHSA-N 2 1 337.508 1.964 20 0 EDADMP CCOC(=O)COc1ccc(OCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000610367878 450201619 /nfs/dbraw/zinc/20/16/19/450201619.db2.gz DUNCQXYDAYOFMV-HUUCEWRRSA-N 2 1 334.416 1.159 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000618555758 450241461 /nfs/dbraw/zinc/24/14/61/450241461.db2.gz FURDSFKEYFRPNA-OAHLLOKOSA-N 2 1 340.537 1.741 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000625362902 450314497 /nfs/dbraw/zinc/31/44/97/450314497.db2.gz GCMWZWXFESLMSN-FGTMMUONSA-N 2 1 331.460 1.169 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000625362902 450314503 /nfs/dbraw/zinc/31/45/03/450314503.db2.gz GCMWZWXFESLMSN-FGTMMUONSA-N 2 1 331.460 1.169 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000625362902 450314509 /nfs/dbraw/zinc/31/45/09/450314509.db2.gz GCMWZWXFESLMSN-FGTMMUONSA-N 2 1 331.460 1.169 20 0 EDADMP O=c1ccccn1Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000619743619 450324678 /nfs/dbraw/zinc/32/46/78/450324678.db2.gz OLONPHQOPMQOPB-LJQANCHMSA-N 2 1 341.455 1.443 20 0 EDADMP CCC[NH+]1CCC(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000603815493 450354252 /nfs/dbraw/zinc/35/42/52/450354252.db2.gz YGJFDDWDGRXJAB-FQEVSTJZSA-N 2 1 345.487 1.614 20 0 EDADMP Cc1cc(NCCNC(=O)NC[C@@H]2CCC[N@H+]2C)nc(C(C)C)n1 ZINC000623716733 450571117 /nfs/dbraw/zinc/57/11/17/450571117.db2.gz XUXZYUXWGATNDT-AWEZNQCLSA-N 2 1 334.468 1.714 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@H](C)[NH2+]1 ZINC000620904501 450557895 /nfs/dbraw/zinc/55/78/95/450557895.db2.gz OPNXLVHOOSRCDI-RYQLBKOJSA-N 2 1 330.476 1.893 20 0 EDADMP O[C@@H]1CC[N@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623759258 450578973 /nfs/dbraw/zinc/57/89/73/450578973.db2.gz DYMHPMZBMGUUIF-RBUKOAKNSA-N 2 1 329.488 1.840 20 0 EDADMP O[C@@H]1CC[N@@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623759258 450578975 /nfs/dbraw/zinc/57/89/75/450578975.db2.gz DYMHPMZBMGUUIF-RBUKOAKNSA-N 2 1 329.488 1.840 20 0 EDADMP O[C@@H]1CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623759258 450578976 /nfs/dbraw/zinc/57/89/76/450578976.db2.gz DYMHPMZBMGUUIF-RBUKOAKNSA-N 2 1 329.488 1.840 20 0 EDADMP O[C@@H]1CC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623759258 450578978 /nfs/dbraw/zinc/57/89/78/450578978.db2.gz DYMHPMZBMGUUIF-RBUKOAKNSA-N 2 1 329.488 1.840 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)cn2cc[nH+]c12 ZINC000633011800 450608664 /nfs/dbraw/zinc/60/86/64/450608664.db2.gz BXGQNUMLFKJTPX-ZDUSSCGKSA-N 2 1 329.404 1.311 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000635071830 450623305 /nfs/dbraw/zinc/62/33/05/450623305.db2.gz YAIILKBGQCJFJB-MOPGFXCFSA-N 2 1 343.471 1.630 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000633041280 450639244 /nfs/dbraw/zinc/63/92/44/450639244.db2.gz VJNMHJQEAFBQCW-PWSUYJOCSA-N 2 1 338.839 1.288 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)[C@H]2CCC[C@H]21 ZINC000624116969 450712623 /nfs/dbraw/zinc/71/26/23/450712623.db2.gz CNWKGAIERSXXSP-LVQVYYBASA-N 2 1 341.463 1.165 20 0 EDADMP C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1c[nH+]ccc1N ZINC000629549762 450730723 /nfs/dbraw/zinc/73/07/23/450730723.db2.gz IADUZXPKWJVNOY-HOCLYGCPSA-N 2 1 327.432 1.441 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2cccnc2)CC[C@@H]1C(F)(F)F ZINC000629559776 450736392 /nfs/dbraw/zinc/73/63/92/450736392.db2.gz BWJUCXJSJIYVOC-AAEUAGOBSA-N 2 1 330.354 1.869 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cccnc2)CC[C@@H]1C(F)(F)F ZINC000629559776 450736397 /nfs/dbraw/zinc/73/63/97/450736397.db2.gz BWJUCXJSJIYVOC-AAEUAGOBSA-N 2 1 330.354 1.869 20 0 EDADMP CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629579888 450747719 /nfs/dbraw/zinc/74/77/19/450747719.db2.gz XOCLYGHFSSSLEU-UHFFFAOYSA-N 2 1 337.508 1.568 20 0 EDADMP CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629579888 450747726 /nfs/dbraw/zinc/74/77/26/450747726.db2.gz XOCLYGHFSSSLEU-UHFFFAOYSA-N 2 1 337.508 1.568 20 0 EDADMP C[N@H+](CCOCC[NH3+])[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629581006 450747873 /nfs/dbraw/zinc/74/78/73/450747873.db2.gz JTXIYVFBEANTMN-AWEZNQCLSA-N 2 1 329.803 1.492 20 0 EDADMP C[N@@H+](CCOCC[NH3+])[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629581006 450747878 /nfs/dbraw/zinc/74/78/78/450747878.db2.gz JTXIYVFBEANTMN-AWEZNQCLSA-N 2 1 329.803 1.492 20 0 EDADMP C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)CCOCC[NH3+] ZINC000629580191 450747923 /nfs/dbraw/zinc/74/79/23/450747923.db2.gz ULGFXAUOCQCZJO-LLVKDONJSA-N 2 1 344.253 1.683 20 0 EDADMP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+](C)CCOCC[NH3+] ZINC000629580191 450747927 /nfs/dbraw/zinc/74/79/27/450747927.db2.gz ULGFXAUOCQCZJO-LLVKDONJSA-N 2 1 344.253 1.683 20 0 EDADMP Cn1nnc2cc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc21 ZINC000629657537 450773703 /nfs/dbraw/zinc/77/37/03/450773703.db2.gz ZBADTPUCMRCXID-RYUDHWBXSA-N 2 1 327.354 1.927 20 0 EDADMP Cn1nnc2cc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc21 ZINC000629657537 450773706 /nfs/dbraw/zinc/77/37/06/450773706.db2.gz ZBADTPUCMRCXID-RYUDHWBXSA-N 2 1 327.354 1.927 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)C3(C[NH+](C)C)CC3)cc2)CC1 ZINC000635278364 450808783 /nfs/dbraw/zinc/80/87/83/450808783.db2.gz KEWOHHGYJMKQLK-UHFFFAOYSA-N 2 1 330.476 1.714 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC000631848667 450822831 /nfs/dbraw/zinc/82/28/31/450822831.db2.gz HCLLJHSCGALRCG-OALUTQOASA-N 2 1 342.487 1.075 20 0 EDADMP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc2c(c1)OCO2 ZINC000631886748 450849488 /nfs/dbraw/zinc/84/94/88/450849488.db2.gz JTOUGJLJJOXLND-HIFRSBDPSA-N 2 1 331.416 1.818 20 0 EDADMP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc2c(c1)OCO2 ZINC000631886748 450849491 /nfs/dbraw/zinc/84/94/91/450849491.db2.gz JTOUGJLJJOXLND-HIFRSBDPSA-N 2 1 331.416 1.818 20 0 EDADMP C[C@](O)(C[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000630045204 450979057 /nfs/dbraw/zinc/97/90/57/450979057.db2.gz ZLLUSEJVUQPWKL-YHELAOLJSA-N 2 1 344.499 1.962 20 0 EDADMP C[C@](O)(C[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000630045204 450979065 /nfs/dbraw/zinc/97/90/65/450979065.db2.gz ZLLUSEJVUQPWKL-YHELAOLJSA-N 2 1 344.499 1.962 20 0 EDADMP C[C@](O)(C[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000630045204 450979073 /nfs/dbraw/zinc/97/90/73/450979073.db2.gz ZLLUSEJVUQPWKL-YHELAOLJSA-N 2 1 344.499 1.962 20 0 EDADMP C[C@](O)(C[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000630045204 450979083 /nfs/dbraw/zinc/97/90/83/450979083.db2.gz ZLLUSEJVUQPWKL-YHELAOLJSA-N 2 1 344.499 1.962 20 0 EDADMP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000626953727 451031253 /nfs/dbraw/zinc/03/12/53/451031253.db2.gz CXPFKFKRIBALFR-SFHVURJKSA-N 2 1 348.491 1.658 20 0 EDADMP [NH3+]C1(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCOCC1 ZINC000627027086 451088678 /nfs/dbraw/zinc/08/86/78/451088678.db2.gz IIAPHKSRYDSROG-MRXNPFEDSA-N 2 1 338.496 1.591 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000635670756 451154877 /nfs/dbraw/zinc/15/48/77/451154877.db2.gz WKSLIPWLSCQEPZ-UHFFFAOYSA-N 2 1 336.480 1.966 20 0 EDADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000635657600 451143537 /nfs/dbraw/zinc/14/35/37/451143537.db2.gz BNDKLAWMXKZHNL-NVXWUHKLSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000635657600 451143540 /nfs/dbraw/zinc/14/35/40/451143540.db2.gz BNDKLAWMXKZHNL-NVXWUHKLSA-N 2 1 325.497 1.580 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635664846 451150127 /nfs/dbraw/zinc/15/01/27/451150127.db2.gz DXNPSCVKXLAXIC-GOSISDBHSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@H](C(=O)Nc1cc(NC(=O)[C@@H](C)[NH+](C)C)c(F)cc1F)[NH+](C)C ZINC000635680615 451164511 /nfs/dbraw/zinc/16/45/11/451164511.db2.gz FIDVIRXBXCUSRU-NXEZZACHSA-N 2 1 342.390 1.742 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627217219 451192933 /nfs/dbraw/zinc/19/29/33/451192933.db2.gz IMVVEZCNGHMCBE-UHFFFAOYSA-N 2 1 336.436 1.308 20 0 EDADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625157677 451196484 /nfs/dbraw/zinc/19/64/84/451196484.db2.gz NQMCTDNYKVAFID-KRWDZBQOSA-N 2 1 325.497 1.284 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625157677 451196487 /nfs/dbraw/zinc/19/64/87/451196487.db2.gz NQMCTDNYKVAFID-KRWDZBQOSA-N 2 1 325.497 1.284 20 0 EDADMP C[NH+](C)CCOc1cc(CNC(=O)C[N@@H+](C)CC(C)(C)C)ccn1 ZINC000635747418 451215961 /nfs/dbraw/zinc/21/59/61/451215961.db2.gz TTZWHMAMBDCNNM-UHFFFAOYSA-N 2 1 336.480 1.616 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000638084589 451247518 /nfs/dbraw/zinc/24/75/18/451247518.db2.gz FMPMEVZPVAZSAO-HBFSDRIKSA-N 2 1 345.487 1.434 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000638087542 451252420 /nfs/dbraw/zinc/25/24/20/451252420.db2.gz STKRYYBRYMJWSU-LJHODMEESA-N 2 1 331.460 1.316 20 0 EDADMP C[C@H]1C[N@@H+](CCOC2CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000625276003 451253898 /nfs/dbraw/zinc/25/38/98/451253898.db2.gz JYQAWZJOUMFUIR-WMZOPIPTSA-N 2 1 325.497 1.140 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638096965 451260540 /nfs/dbraw/zinc/26/05/40/451260540.db2.gz OQGDTXOSHUCDCO-QWRGUYRKSA-N 2 1 344.410 1.210 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000638099540 451264597 /nfs/dbraw/zinc/26/45/97/451264597.db2.gz HIBADPFIPBYTBK-DKSSEZFCSA-N 2 1 347.459 1.785 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000638101097 451266366 /nfs/dbraw/zinc/26/63/66/451266366.db2.gz SVURORPHNVUOPA-DAYGRLMNSA-N 2 1 333.476 1.944 20 0 EDADMP c1c(CCN2CC[NH2+]CC2)nnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000630592678 451267809 /nfs/dbraw/zinc/26/78/09/451267809.db2.gz VFZBHGOGFBNZJX-LJQANCHMSA-N 2 1 340.475 1.173 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cc(C(F)(F)F)on3)nn2)CC1 ZINC000630610128 451274767 /nfs/dbraw/zinc/27/47/67/451274767.db2.gz FZCVZAHDYZPXSA-UHFFFAOYSA-N 2 1 344.341 1.299 20 0 EDADMP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638124326 451294264 /nfs/dbraw/zinc/29/42/64/451294264.db2.gz SNRKICSWZJCVIX-QGTPRVQTSA-N 2 1 329.444 1.440 20 0 EDADMP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638124326 451294267 /nfs/dbraw/zinc/29/42/67/451294267.db2.gz SNRKICSWZJCVIX-QGTPRVQTSA-N 2 1 329.444 1.440 20 0 EDADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CN2CC[NH2+]CC2)c1 ZINC000638130927 451302327 /nfs/dbraw/zinc/30/23/27/451302327.db2.gz BOHOIRCLLFBJMG-UHFFFAOYSA-N 2 1 346.519 1.830 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)C1 ZINC000638133328 451305872 /nfs/dbraw/zinc/30/58/72/451305872.db2.gz KPKXMGPFMWDSFJ-MRXNPFEDSA-N 2 1 346.475 1.251 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000638142489 451316096 /nfs/dbraw/zinc/31/60/96/451316096.db2.gz CHWNXTOEOIRNRK-CEXWTWQISA-N 2 1 344.503 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000638142489 451316101 /nfs/dbraw/zinc/31/61/01/451316101.db2.gz CHWNXTOEOIRNRK-CEXWTWQISA-N 2 1 344.503 1.436 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@]3(C)C[NH2+]CCO3)CC2)cc1 ZINC000638271528 451391152 /nfs/dbraw/zinc/39/11/52/451391152.db2.gz ASERRYILEUZQJH-LJQANCHMSA-N 2 1 347.459 1.108 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@]3(C)C[NH2+]CCO3)CC2)cc1 ZINC000638271528 451391158 /nfs/dbraw/zinc/39/11/58/451391158.db2.gz ASERRYILEUZQJH-LJQANCHMSA-N 2 1 347.459 1.108 20 0 EDADMP CN(C(=O)c1cnc(C[NH3+])nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638272366 451392225 /nfs/dbraw/zinc/39/22/25/451392225.db2.gz MNLSXIHCTVQMQV-INIZCTEOSA-N 2 1 325.416 1.282 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2cc(C[NH+](C)C)ccn2)C1 ZINC000640556614 451404426 /nfs/dbraw/zinc/40/44/26/451404426.db2.gz LLEHIGRUWRNDKS-MRXNPFEDSA-N 2 1 349.479 1.622 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000630807090 451412573 /nfs/dbraw/zinc/41/25/73/451412573.db2.gz DAGHSNLZNDILQB-IYBDPMFKSA-N 2 1 349.523 1.931 20 0 EDADMP C[NH+](C)Cc1ccnc(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000640575289 451420116 /nfs/dbraw/zinc/42/01/16/451420116.db2.gz LYXJSTWFZBTDBJ-HNNXBMFYSA-N 2 1 335.452 1.112 20 0 EDADMP CC(C)(C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000634636636 451428374 /nfs/dbraw/zinc/42/83/74/451428374.db2.gz HCVNWSREFTXMAI-HXUWFJFHSA-N 2 1 347.503 1.324 20 0 EDADMP CC(C)(C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000634636636 451428378 /nfs/dbraw/zinc/42/83/78/451428378.db2.gz HCVNWSREFTXMAI-HXUWFJFHSA-N 2 1 347.503 1.324 20 0 EDADMP C[C@@H](CN1CCCC1=O)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634642278 451434890 /nfs/dbraw/zinc/43/48/90/451434890.db2.gz HMQFMQGBLXQKHK-LPHOPBHVSA-N 2 1 331.460 1.224 20 0 EDADMP C[C@@H](CN1CCCC1=O)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634642278 451434891 /nfs/dbraw/zinc/43/48/91/451434891.db2.gz HMQFMQGBLXQKHK-LPHOPBHVSA-N 2 1 331.460 1.224 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000638328490 451436756 /nfs/dbraw/zinc/43/67/56/451436756.db2.gz JMBRZNVXWLXZPB-CEXWTWQISA-N 2 1 344.503 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000638328490 451436762 /nfs/dbraw/zinc/43/67/62/451436762.db2.gz JMBRZNVXWLXZPB-CEXWTWQISA-N 2 1 344.503 1.436 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000638350254 451451361 /nfs/dbraw/zinc/45/13/61/451451361.db2.gz FEDWESUFMHXIOM-QZTJIDSGSA-N 2 1 338.455 1.362 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)ccn1 ZINC000640616523 451464744 /nfs/dbraw/zinc/46/47/44/451464744.db2.gz MCVRGGOETIQBKS-MRXNPFEDSA-N 2 1 335.452 1.112 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)ccn1 ZINC000640616523 451464747 /nfs/dbraw/zinc/46/47/47/451464747.db2.gz MCVRGGOETIQBKS-MRXNPFEDSA-N 2 1 335.452 1.112 20 0 EDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)O1 ZINC000634688399 451465230 /nfs/dbraw/zinc/46/52/30/451465230.db2.gz RCJVUINFONMDBP-BZUAXINKSA-N 2 1 333.480 1.566 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634698893 451470739 /nfs/dbraw/zinc/47/07/39/451470739.db2.gz ANHNIUDMHJHQRC-IRXDYDNUSA-N 2 1 328.497 1.523 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000638342337 451446418 /nfs/dbraw/zinc/44/64/18/451446418.db2.gz PXBAIACLOKSFEQ-NVXWUHKLSA-N 2 1 334.464 1.751 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)C[NH+](C)C1CC1 ZINC000634724552 451505949 /nfs/dbraw/zinc/50/59/49/451505949.db2.gz SHVIGWZEOSXXOP-KPFFTGBYSA-N 2 1 331.504 1.799 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000634724552 451505952 /nfs/dbraw/zinc/50/59/52/451505952.db2.gz SHVIGWZEOSXXOP-KPFFTGBYSA-N 2 1 331.504 1.799 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000634724552 451505959 /nfs/dbraw/zinc/50/59/59/451505959.db2.gz SHVIGWZEOSXXOP-KPFFTGBYSA-N 2 1 331.504 1.799 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000634745499 451522081 /nfs/dbraw/zinc/52/20/81/451522081.db2.gz JYOWSOTWGKWWQC-VYDRJQSISA-N 2 1 337.508 1.578 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000638462342 451528954 /nfs/dbraw/zinc/52/89/54/451528954.db2.gz UEABNQNHYNPGEA-GOSISDBHSA-N 2 1 345.487 1.612 20 0 EDADMP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000634768795 451536657 /nfs/dbraw/zinc/53/66/57/451536657.db2.gz YXKRIUTTXKSRAR-SCTDSRPQSA-N 2 1 328.460 1.552 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000636255334 451625301 /nfs/dbraw/zinc/62/53/01/451625301.db2.gz HBSFXKYQTCPOHK-MRXNPFEDSA-N 2 1 331.460 1.728 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000636255334 451625306 /nfs/dbraw/zinc/62/53/06/451625306.db2.gz HBSFXKYQTCPOHK-MRXNPFEDSA-N 2 1 331.460 1.728 20 0 EDADMP Cc1nc(N)nc(NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000631177854 451627107 /nfs/dbraw/zinc/62/71/07/451627107.db2.gz ATECFDXTLIWYOY-CJNGLKHVSA-N 2 1 326.448 1.897 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccccc2NCC23CC(C2)C[NH2+]3)CC1 ZINC000634996954 451641581 /nfs/dbraw/zinc/64/15/81/451641581.db2.gz ZNBNNLXIBUAICT-UHFFFAOYSA-N 2 1 328.460 1.515 20 0 EDADMP CN(C(=O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)C1CCCCC1 ZINC000638721841 451665414 /nfs/dbraw/zinc/66/54/14/451665414.db2.gz NYWZHDXNQXHEQH-UHFFFAOYSA-N 2 1 325.497 1.602 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCc3ccncc3)CC2)CC[N@@H+]1C ZINC000636292365 451659881 /nfs/dbraw/zinc/65/98/81/451659881.db2.gz LSGDYJMSVWOXEC-ZWKOTPCHSA-N 2 1 330.476 1.499 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCc3ccncc3)CC2)CC[N@H+]1C ZINC000636292365 451659884 /nfs/dbraw/zinc/65/98/84/451659884.db2.gz LSGDYJMSVWOXEC-ZWKOTPCHSA-N 2 1 330.476 1.499 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1Cc2cncn2C1 ZINC000637023472 451684552 /nfs/dbraw/zinc/68/45/52/451684552.db2.gz OOUXKDOXSRGGGP-GDBMZVCRSA-N 2 1 327.432 1.628 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000638803816 451695521 /nfs/dbraw/zinc/69/55/21/451695521.db2.gz PJRAHJFQXIPNOJ-HOTGVXAUSA-N 2 1 337.414 1.870 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCc1ccccc1C[NH+]1CCCC1 ZINC000636501001 451739290 /nfs/dbraw/zinc/73/92/90/451739290.db2.gz QOLFUDVAEWJJAQ-SFHVURJKSA-N 2 1 346.475 1.148 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(CCCCC3CCOCC3)nn2)CC1 ZINC000641140842 451759772 /nfs/dbraw/zinc/75/97/72/451759772.db2.gz IAQFAILAZSVHCW-UHFFFAOYSA-N 2 1 335.496 1.841 20 0 EDADMP CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000639090086 451766138 /nfs/dbraw/zinc/76/61/38/451766138.db2.gz FWWRRRCLBLQMLH-BZUAXINKSA-N 2 1 347.507 1.656 20 0 EDADMP c1c(C2CC[NH2+]CC2)nnn1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000641180651 451771399 /nfs/dbraw/zinc/77/13/99/451771399.db2.gz JEJYFUQVOHWUMJ-UHFFFAOYSA-N 2 1 341.459 1.626 20 0 EDADMP COCC1(C2CC2)CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000637266389 451775113 /nfs/dbraw/zinc/77/51/13/451775113.db2.gz WJHIXFYEZJBXOB-HNNXBMFYSA-N 2 1 340.512 1.326 20 0 EDADMP COCC1(C2CC2)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000637266389 451775116 /nfs/dbraw/zinc/77/51/16/451775116.db2.gz WJHIXFYEZJBXOB-HNNXBMFYSA-N 2 1 340.512 1.326 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH2+]C1CC1 ZINC000637307071 451786182 /nfs/dbraw/zinc/78/61/82/451786182.db2.gz PCWOBUDSDVVIQA-QGZVFWFLSA-N 2 1 330.476 1.902 20 0 EDADMP CC[C@](C)([NH3+])c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641230433 451791204 /nfs/dbraw/zinc/79/12/04/451791204.db2.gz REWMMZKRKULZAV-ROUUACIJSA-N 2 1 329.448 1.499 20 0 EDADMP CC(C)[NH+](CCCNC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000644581370 451873505 /nfs/dbraw/zinc/87/35/05/451873505.db2.gz GHOCPGRSLGZRTQ-KZNAEPCWSA-N 2 1 329.529 1.555 20 0 EDADMP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644677949 451935163 /nfs/dbraw/zinc/93/51/63/451935163.db2.gz PQJAJQAMYBRCIP-HXUWFJFHSA-N 3 1 348.535 1.095 20 0 EDADMP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644677949 451935167 /nfs/dbraw/zinc/93/51/67/451935167.db2.gz PQJAJQAMYBRCIP-HXUWFJFHSA-N 3 1 348.535 1.095 20 0 EDADMP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)[C@@H]2C1 ZINC000646925507 451942438 /nfs/dbraw/zinc/94/24/38/451942438.db2.gz QTELKUCDGWXIDJ-QXAKKESOSA-N 2 1 343.471 1.347 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)[C@@H]2C1 ZINC000646925507 451942443 /nfs/dbraw/zinc/94/24/43/451942443.db2.gz QTELKUCDGWXIDJ-QXAKKESOSA-N 2 1 343.471 1.347 20 0 EDADMP O=C1CCCN1[C@H]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639556405 451942742 /nfs/dbraw/zinc/94/27/42/451942742.db2.gz VPBKRNSAYDWLJI-AZUAARDMSA-N 2 1 343.471 1.320 20 0 EDADMP O=C1CCCN1[C@H]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639556405 451942748 /nfs/dbraw/zinc/94/27/48/451942748.db2.gz VPBKRNSAYDWLJI-AZUAARDMSA-N 2 1 343.471 1.320 20 0 EDADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000649271593 451945102 /nfs/dbraw/zinc/94/51/02/451945102.db2.gz NUUAKBMLUBJOBF-SFHVURJKSA-N 2 1 348.466 1.154 20 0 EDADMP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000649271593 451945109 /nfs/dbraw/zinc/94/51/09/451945109.db2.gz NUUAKBMLUBJOBF-SFHVURJKSA-N 2 1 348.466 1.154 20 0 EDADMP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000653484796 451977076 /nfs/dbraw/zinc/97/70/76/451977076.db2.gz FFNZIGZIYQOCTG-SFHVURJKSA-N 2 1 335.492 1.434 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000653484796 451977079 /nfs/dbraw/zinc/97/70/79/451977079.db2.gz FFNZIGZIYQOCTG-SFHVURJKSA-N 2 1 335.492 1.434 20 0 EDADMP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000649305300 451981509 /nfs/dbraw/zinc/98/15/09/451981509.db2.gz LGABLWDNAZKAQC-KZNAEPCWSA-N 2 1 331.460 1.392 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)cn2)CC1 ZINC000637666193 452008405 /nfs/dbraw/zinc/00/84/05/452008405.db2.gz XXMVDIFYIJBOPV-RHSMWYFYSA-N 2 1 346.479 1.708 20 0 EDADMP COC[C@]1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649342871 452023078 /nfs/dbraw/zinc/02/30/78/452023078.db2.gz VBMBLQULWDJXMU-HKUYNNGSSA-N 2 1 331.460 1.488 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000643042086 452025653 /nfs/dbraw/zinc/02/56/53/452025653.db2.gz VBHRSKBDIICXQK-DFGXFYAUSA-N 2 1 345.491 2.138 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643062003 452029240 /nfs/dbraw/zinc/02/92/40/452029240.db2.gz BWAPHFULNLGGLF-IAGOWNOFSA-N 2 1 344.459 1.721 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643062003 452029249 /nfs/dbraw/zinc/02/92/49/452029249.db2.gz BWAPHFULNLGGLF-IAGOWNOFSA-N 2 1 344.459 1.721 20 0 EDADMP COc1ccccc1NC(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000643080940 452033845 /nfs/dbraw/zinc/03/38/45/452033845.db2.gz NJZOSIKRLACSSG-DNVCBOLYSA-N 2 1 347.459 1.852 20 0 EDADMP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000649351366 452036258 /nfs/dbraw/zinc/03/62/58/452036258.db2.gz QNCGUYRWTSOMEJ-QAPCUYQASA-N 2 1 348.466 1.439 20 0 EDADMP Cn1cc(N2CC[C@H]([N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649417946 452080263 /nfs/dbraw/zinc/08/02/63/452080263.db2.gz PUHOCXZZQPJQMD-VYDXJSESSA-N 2 1 331.464 1.237 20 0 EDADMP C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC([NH3+])C1 ZINC000649418263 452080275 /nfs/dbraw/zinc/08/02/75/452080275.db2.gz QXHVDUJNOLEMFZ-UHFFFAOYSA-N 2 1 334.439 1.286 20 0 EDADMP [NH3+]C1(CC(=O)NCC[NH2+]C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000637828041 452103423 /nfs/dbraw/zinc/10/34/23/452103423.db2.gz OOBWLKRKTCGGLP-UHFFFAOYSA-N 3 1 330.476 1.238 20 0 EDADMP C[C@@H]1CN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000637839565 452110101 /nfs/dbraw/zinc/11/01/01/452110101.db2.gz DVPUNDCBADNHRY-MRXNPFEDSA-N 3 1 330.476 1.190 20 0 EDADMP CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000643295228 452121803 /nfs/dbraw/zinc/12/18/03/452121803.db2.gz GIDZOJACYSKJHI-KRWDZBQOSA-N 2 1 331.460 1.729 20 0 EDADMP C[NH+](C)CCOc1ccccc1N1CCN(C[C@@H]2CCC[N@H+]2C)CC1 ZINC000649561774 452144827 /nfs/dbraw/zinc/14/48/27/452144827.db2.gz IXVHSNGPJJAGAE-SFHVURJKSA-N 2 1 346.519 1.843 20 0 EDADMP CC(=O)NCCCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637924914 452174063 /nfs/dbraw/zinc/17/40/63/452174063.db2.gz PGUIIFBEQPUWNZ-UHFFFAOYSA-N 2 1 346.475 1.012 20 0 EDADMP CCCN(C(=O)NC1CC[NH+](CCCOC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000645249524 452235283 /nfs/dbraw/zinc/23/52/83/452235283.db2.gz CZNDVRXUBDOHGK-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP CCNC(=O)COc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1OC ZINC000647531005 452264893 /nfs/dbraw/zinc/26/48/93/452264893.db2.gz VSDYHGRBQHUHSB-UHFFFAOYSA-N 2 1 335.448 1.523 20 0 EDADMP COc1cccc(-c2n[nH]cc2C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000647541593 452275208 /nfs/dbraw/zinc/27/52/08/452275208.db2.gz ACFPRIBPPFLOPB-QGZVFWFLSA-N 2 1 341.459 1.565 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487271 452284117 /nfs/dbraw/zinc/28/41/17/452284117.db2.gz CDWHYUOVUHUEIK-RPUYLAQPSA-N 2 1 333.476 1.936 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487271 452284129 /nfs/dbraw/zinc/28/41/29/452284129.db2.gz CDWHYUOVUHUEIK-RPUYLAQPSA-N 2 1 333.476 1.936 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(=O)[nH]c3)CC2)CC1 ZINC000638034056 452288411 /nfs/dbraw/zinc/28/84/11/452288411.db2.gz ICJMSIARQKDZPT-UHFFFAOYSA-N 2 1 346.475 1.553 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC3CC2(C[NH3+])C3)[C@H](C)C1 ZINC000659456945 452307699 /nfs/dbraw/zinc/30/76/99/452307699.db2.gz USXDUDIJCUQKII-JBCIKUTRSA-N 2 1 338.496 1.256 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCC23CC(C2)C[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000659468487 452325388 /nfs/dbraw/zinc/32/53/88/452325388.db2.gz BFTXNCTYYCYLKH-BBPFYFEFSA-N 2 1 328.460 1.701 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000665760099 452332380 /nfs/dbraw/zinc/33/23/80/452332380.db2.gz ZEHUTWAJKRPSBK-IKGGRYGDSA-N 2 1 341.544 1.240 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000665760099 452332392 /nfs/dbraw/zinc/33/23/92/452332392.db2.gz ZEHUTWAJKRPSBK-IKGGRYGDSA-N 3 1 341.544 1.240 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000665760099 452332400 /nfs/dbraw/zinc/33/24/00/452332400.db2.gz ZEHUTWAJKRPSBK-IKGGRYGDSA-N 3 1 341.544 1.240 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000665760099 452332407 /nfs/dbraw/zinc/33/24/07/452332407.db2.gz ZEHUTWAJKRPSBK-IKGGRYGDSA-N 3 1 341.544 1.240 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000665760099 452332417 /nfs/dbraw/zinc/33/24/17/452332417.db2.gz ZEHUTWAJKRPSBK-IKGGRYGDSA-N 3 1 341.544 1.240 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652144689 452338521 /nfs/dbraw/zinc/33/85/21/452338521.db2.gz OONVPBPTHKJWLY-UXLLHSPISA-N 2 1 338.496 1.399 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC000665763661 452349869 /nfs/dbraw/zinc/34/98/69/452349869.db2.gz IGSMPXZFIPBNDC-KBXCAEBGSA-N 2 1 348.491 1.951 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC000665763661 452349874 /nfs/dbraw/zinc/34/98/74/452349874.db2.gz IGSMPXZFIPBNDC-KBXCAEBGSA-N 2 1 348.491 1.951 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000665764125 452350179 /nfs/dbraw/zinc/35/01/79/452350179.db2.gz VOPHKUSZDNKACC-HRCADAONSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000665764125 452350184 /nfs/dbraw/zinc/35/01/84/452350184.db2.gz VOPHKUSZDNKACC-HRCADAONSA-N 2 1 328.501 1.109 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000638062436 452356755 /nfs/dbraw/zinc/35/67/55/452356755.db2.gz NPHRPQAHZVYFRC-ICSRJNTNSA-N 2 1 345.487 1.796 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C3=CC[C@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000638062891 452357993 /nfs/dbraw/zinc/35/79/93/452357993.db2.gz JRPRLERODANCPN-KHYOSLBOSA-N 2 1 343.471 1.960 20 0 EDADMP [NH3+]CCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659509674 452373480 /nfs/dbraw/zinc/37/34/80/452373480.db2.gz GXUIZBSHUKXQFI-QGZVFWFLSA-N 2 1 330.476 1.937 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCCO1 ZINC000652183101 452379306 /nfs/dbraw/zinc/37/93/06/452379306.db2.gz OLZBCFWVVKYSOD-BQFCYCMXSA-N 2 1 338.496 1.258 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000638073178 452384399 /nfs/dbraw/zinc/38/43/99/452384399.db2.gz CGMUKCWIQAGZIW-OALUTQOASA-N 2 1 344.503 1.533 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)CCC3C[NH2+]C3)cc2)CC1 ZINC000638078353 452391701 /nfs/dbraw/zinc/39/17/01/452391701.db2.gz JIORCDIRDVNLMO-UHFFFAOYSA-N 2 1 330.432 1.012 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652216091 452409997 /nfs/dbraw/zinc/40/99/97/452409997.db2.gz ISNJSDJVCCRMNM-KZNAEPCWSA-N 2 1 330.476 1.825 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652216091 452410002 /nfs/dbraw/zinc/41/00/02/452410002.db2.gz ISNJSDJVCCRMNM-KZNAEPCWSA-N 2 1 330.476 1.825 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659553666 452410369 /nfs/dbraw/zinc/41/03/69/452410369.db2.gz ALRRQKVRMMITDV-BQFCYCMXSA-N 2 1 347.507 1.228 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659553666 452410377 /nfs/dbraw/zinc/41/03/77/452410377.db2.gz ALRRQKVRMMITDV-BQFCYCMXSA-N 2 1 347.507 1.228 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652244596 452430483 /nfs/dbraw/zinc/43/04/83/452430483.db2.gz JMGKLFVQTIETPV-UHFFFAOYSA-N 2 1 330.476 1.951 20 0 EDADMP COC[C@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CC[NH2+]C1 ZINC000645473516 452442768 /nfs/dbraw/zinc/44/27/68/452442768.db2.gz RHJAEOXTEDQGLJ-FQEVSTJZSA-N 2 1 345.487 1.655 20 0 EDADMP CCO[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000659603172 452459035 /nfs/dbraw/zinc/45/90/35/452459035.db2.gz VEWDPWICAIOORY-BFYDXBDKSA-N 2 1 338.496 1.399 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000652291161 452475343 /nfs/dbraw/zinc/47/53/43/452475343.db2.gz HLUYHMGFFFGVIY-QGZVFWFLSA-N 2 1 334.464 1.052 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](CCF)C2)C1 ZINC000661694981 452500846 /nfs/dbraw/zinc/50/08/46/452500846.db2.gz LFXAYZXTFVNBDZ-IAGOWNOFSA-N 2 1 343.487 1.531 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](CCF)C2)C1 ZINC000661694981 452500855 /nfs/dbraw/zinc/50/08/55/452500855.db2.gz LFXAYZXTFVNBDZ-IAGOWNOFSA-N 2 1 343.487 1.531 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](CCF)C2)C1 ZINC000661694981 452500863 /nfs/dbraw/zinc/50/08/63/452500863.db2.gz LFXAYZXTFVNBDZ-IAGOWNOFSA-N 2 1 343.487 1.531 20 0 EDADMP CC(C)C[N@@H+]1CCO[C@@H](CNC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655683100 452509268 /nfs/dbraw/zinc/50/92/68/452509268.db2.gz PAMIAJZMUBKVHL-ROUUACIJSA-N 2 1 325.497 1.186 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655683100 452509271 /nfs/dbraw/zinc/50/92/71/452509271.db2.gz PAMIAJZMUBKVHL-ROUUACIJSA-N 2 1 325.497 1.186 20 0 EDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000652340981 452513674 /nfs/dbraw/zinc/51/36/74/452513674.db2.gz RNZXWFVEGGWSQE-AWEZNQCLSA-N 2 1 337.489 1.688 20 0 EDADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCOCC1 ZINC000655695388 452516995 /nfs/dbraw/zinc/51/69/95/452516995.db2.gz KXDGIXSCWIJCSF-RBUKOAKNSA-N 2 1 339.524 1.576 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1nccs1 ZINC000652348739 452525626 /nfs/dbraw/zinc/52/56/26/452525626.db2.gz PKTYUPOTAZZFSI-IHRRRGAJSA-N 2 1 338.477 1.324 20 0 EDADMP CN(C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1nccs1 ZINC000652348739 452525635 /nfs/dbraw/zinc/52/56/35/452525635.db2.gz PKTYUPOTAZZFSI-IHRRRGAJSA-N 2 1 338.477 1.324 20 0 EDADMP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351568 452527884 /nfs/dbraw/zinc/52/78/84/452527884.db2.gz HKFYVYLEDLKVNO-KXBFYZLASA-N 2 1 349.450 1.724 20 0 EDADMP CN(CCOc1ccccc1F)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351568 452527889 /nfs/dbraw/zinc/52/78/89/452527889.db2.gz HKFYVYLEDLKVNO-KXBFYZLASA-N 2 1 349.450 1.724 20 0 EDADMP Cc1ccoc1C(=O)NCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655730449 452543793 /nfs/dbraw/zinc/54/37/93/452543793.db2.gz SRESFKSQKYUDOE-MRXNPFEDSA-N 2 1 335.448 1.551 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)NCc2cccnc2)C1 ZINC000652362926 452544984 /nfs/dbraw/zinc/54/49/84/452544984.db2.gz SSKJZAUGIIOXAJ-IKGGRYGDSA-N 2 1 332.448 1.059 20 0 EDADMP CNC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652363168 452545817 /nfs/dbraw/zinc/54/58/17/452545817.db2.gz ZMZPFFKFASPBSX-KSZLIROESA-N 2 1 331.460 1.907 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000655742179 452551255 /nfs/dbraw/zinc/55/12/55/452551255.db2.gz XQCLDDLHJREIGC-SJLPKXTDSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000655742179 452551268 /nfs/dbraw/zinc/55/12/68/452551268.db2.gz XQCLDDLHJREIGC-SJLPKXTDSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000655742179 452551274 /nfs/dbraw/zinc/55/12/74/452551274.db2.gz XQCLDDLHJREIGC-SJLPKXTDSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000655742179 452551279 /nfs/dbraw/zinc/55/12/79/452551279.db2.gz XQCLDDLHJREIGC-SJLPKXTDSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)NCC1([NH3+])CCCC1)Cc1ccccc1 ZINC000659681291 452555321 /nfs/dbraw/zinc/55/53/21/452555321.db2.gz DZEVELXSOIQCNS-UHFFFAOYSA-N 2 1 346.475 1.012 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOC(C)(C)C3)CC2)CC1 ZINC000654492061 452564522 /nfs/dbraw/zinc/56/45/22/452564522.db2.gz AXZCGQCJQUNMNF-UHFFFAOYSA-N 2 1 337.508 1.820 20 0 EDADMP CCOC1CCC([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000657875923 452586042 /nfs/dbraw/zinc/58/60/42/452586042.db2.gz JLOVCMXNUPHVFN-UHFFFAOYSA-N 2 1 325.497 1.866 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000657947881 452628275 /nfs/dbraw/zinc/62/82/75/452628275.db2.gz FOQSYHFYDBJQBT-HNNXBMFYSA-N 2 1 343.431 1.572 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000663919707 452644888 /nfs/dbraw/zinc/64/48/88/452644888.db2.gz ICGBAIGFQKNLMY-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1nccn1C(F)F ZINC000663922759 452648478 /nfs/dbraw/zinc/64/84/78/452648478.db2.gz QBMUHWNXFWIXSG-LBPRGKRZSA-N 2 1 346.426 1.349 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1nccn1C(F)F ZINC000663922759 452648484 /nfs/dbraw/zinc/64/84/84/452648484.db2.gz QBMUHWNXFWIXSG-LBPRGKRZSA-N 2 1 346.426 1.349 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655912251 452670909 /nfs/dbraw/zinc/67/09/09/452670909.db2.gz MCOYGCZTLFOPBC-AWEZNQCLSA-N 2 1 344.381 1.712 20 0 EDADMP CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655920104 452681624 /nfs/dbraw/zinc/68/16/24/452681624.db2.gz HMNPRVWJTIRTHS-KBPBESRZSA-N 2 1 344.381 1.792 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCO[C@H]1CC1(F)F ZINC000666212643 452688959 /nfs/dbraw/zinc/68/89/59/452688959.db2.gz KJPNYAOOPXQIAH-AWEZNQCLSA-N 2 1 348.438 1.078 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCO[C@H]1CC1(F)F ZINC000666212643 452688963 /nfs/dbraw/zinc/68/89/63/452688963.db2.gz KJPNYAOOPXQIAH-AWEZNQCLSA-N 2 1 348.438 1.078 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655927817 452696457 /nfs/dbraw/zinc/69/64/57/452696457.db2.gz JVVIVWVSXNSJIZ-ZIAGYGMSSA-N 2 1 344.381 1.697 20 0 EDADMP Cc1cc(=O)n2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)sc2n1 ZINC000647976159 452720584 /nfs/dbraw/zinc/72/05/84/452720584.db2.gz KZXMXZOFZBZTPD-ZIAGYGMSSA-N 2 1 347.488 1.671 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000659860674 452742149 /nfs/dbraw/zinc/74/21/49/452742149.db2.gz AYSQCQURTDGZSZ-SFHVURJKSA-N 2 1 327.513 1.122 20 0 EDADMP C[C@@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652983 452756688 /nfs/dbraw/zinc/75/66/88/452756688.db2.gz UVMGLNFEVPGBBP-HRCADAONSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652983 452756696 /nfs/dbraw/zinc/75/66/96/452756696.db2.gz UVMGLNFEVPGBBP-HRCADAONSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000652624251 452781247 /nfs/dbraw/zinc/78/12/47/452781247.db2.gz DUTJYLZMRLXLOZ-UHFFFAOYSA-N 2 1 346.475 1.365 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)CC[N@H+]1C ZINC000648117327 452832921 /nfs/dbraw/zinc/83/29/21/452832921.db2.gz SHBXYSHWKYYLPU-KBAYOESNSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)[C@H](C)C1 ZINC000654734434 452859464 /nfs/dbraw/zinc/85/94/64/452859464.db2.gz KWOGLZBEAHIERO-TWMKSMIVSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@H](C)C1 ZINC000654734434 452859470 /nfs/dbraw/zinc/85/94/70/452859470.db2.gz KWOGLZBEAHIERO-TWMKSMIVSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)[C@H](C)C1 ZINC000654734434 452859477 /nfs/dbraw/zinc/85/94/77/452859477.db2.gz KWOGLZBEAHIERO-TWMKSMIVSA-N 2 1 338.496 1.100 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000648161582 452870853 /nfs/dbraw/zinc/87/08/53/452870853.db2.gz NSIBJGCXXQXOBT-HWDJUHOGSA-N 2 1 341.455 1.840 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000648161582 452870864 /nfs/dbraw/zinc/87/08/64/452870864.db2.gz NSIBJGCXXQXOBT-HWDJUHOGSA-N 2 1 341.455 1.840 20 0 EDADMP [NH3+]C1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)Cc2ccccc2C1 ZINC000648167945 452878982 /nfs/dbraw/zinc/87/89/82/452878982.db2.gz JUCUUANELNCDTQ-MJGOQNOKSA-N 2 1 339.483 1.958 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000648179870 452891503 /nfs/dbraw/zinc/89/15/03/452891503.db2.gz FFHXVEPIWPVAQM-UHFFFAOYSA-N 2 1 331.460 1.052 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659982506 452892159 /nfs/dbraw/zinc/89/21/59/452892159.db2.gz OUAZVJGUWWRQSY-INIZCTEOSA-N 2 1 339.505 1.758 20 0 EDADMP Cc1cccc(NC(=O)[C@@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)n1 ZINC000660033097 452942959 /nfs/dbraw/zinc/94/29/59/452942959.db2.gz FKBMYLONFBTXAS-IAGOWNOFSA-N 2 1 348.491 1.742 20 0 EDADMP Cc1cccc(NC(=O)[C@@H]2CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)n1 ZINC000660033097 452942972 /nfs/dbraw/zinc/94/29/72/452942972.db2.gz FKBMYLONFBTXAS-IAGOWNOFSA-N 2 1 348.491 1.742 20 0 EDADMP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)n1 ZINC000660033097 452942982 /nfs/dbraw/zinc/94/29/82/452942982.db2.gz FKBMYLONFBTXAS-IAGOWNOFSA-N 2 1 348.491 1.742 20 0 EDADMP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2)n1 ZINC000660033097 452942992 /nfs/dbraw/zinc/94/29/92/452942992.db2.gz FKBMYLONFBTXAS-IAGOWNOFSA-N 2 1 348.491 1.742 20 0 EDADMP O=C(c1ccc(F)cc1)N1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250178 452976195 /nfs/dbraw/zinc/97/61/95/452976195.db2.gz AEEVWRMIYVSXDN-QGZVFWFLSA-N 2 1 347.434 1.495 20 0 EDADMP Clc1cccc(CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662259499 452987868 /nfs/dbraw/zinc/98/78/68/452987868.db2.gz YGQRHWSCFWXLGW-KRWDZBQOSA-N 2 1 335.879 1.979 20 0 EDADMP c1ccn2c(c1)nnc2[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662260172 452990040 /nfs/dbraw/zinc/99/00/40/452990040.db2.gz GVYDSEPYTAQKLE-HUUCEWRRSA-N 2 1 327.432 1.430 20 0 EDADMP C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)[N@H+]1CCCC[C@@H]1C ZINC000666627442 453019438 /nfs/dbraw/zinc/01/94/38/453019438.db2.gz RSWQFGLOFKHJNB-KBPBESRZSA-N 2 1 332.448 1.463 20 0 EDADMP O=C1[C@@H]([N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1CC(F)(F)F ZINC000662298162 453020432 /nfs/dbraw/zinc/02/04/32/453020432.db2.gz UTBIYVCZVXOIKE-KGLIPLIRSA-N 2 1 333.398 1.861 20 0 EDADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297995 453020604 /nfs/dbraw/zinc/02/06/04/453020604.db2.gz SVQNWLGKKNBSBG-WBVHZDCISA-N 2 1 325.497 1.629 20 0 EDADMP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000644116563 453051475 /nfs/dbraw/zinc/05/14/75/453051475.db2.gz FXOJNRLDBPNCRB-KGLIPLIRSA-N 2 1 327.350 1.543 20 0 EDADMP CO[C@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC000660141070 453072192 /nfs/dbraw/zinc/07/21/92/453072192.db2.gz QZLYLSRHFMXROV-CGTJXYLNSA-N 2 1 325.497 1.138 20 0 EDADMP C[C@@H](C[C@H]1CCOC1)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664421876 453083127 /nfs/dbraw/zinc/08/31/27/453083127.db2.gz QPUYWOPAFXQPBW-HRCADAONSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H](C[C@H]1CCOC1)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664421876 453083132 /nfs/dbraw/zinc/08/31/32/453083132.db2.gz QPUYWOPAFXQPBW-HRCADAONSA-N 2 1 328.501 1.373 20 0 EDADMP CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000644154770 453086962 /nfs/dbraw/zinc/08/69/62/453086962.db2.gz UZZFSPHUWVDRAE-SJORKVTESA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H](C[NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000648442317 453088183 /nfs/dbraw/zinc/08/81/83/453088183.db2.gz LVPYHESPEFYVFA-DZGCQCFKSA-N 2 1 333.457 1.995 20 0 EDADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660156845 453088585 /nfs/dbraw/zinc/08/85/85/453088585.db2.gz SCZJMAIVEAJXSA-HVMFNXBNSA-N 2 1 348.535 1.392 20 0 EDADMP C[C@@H]1C[N@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660156845 453088590 /nfs/dbraw/zinc/08/85/90/453088590.db2.gz SCZJMAIVEAJXSA-HVMFNXBNSA-N 2 1 348.535 1.392 20 0 EDADMP CCN1OC[C@H]([N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000660166352 453098364 /nfs/dbraw/zinc/09/83/64/453098364.db2.gz OONJHUQZVLXWPY-KRWDZBQOSA-N 2 1 332.448 1.782 20 0 EDADMP CCN1OC[C@H]([N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000660166352 453098372 /nfs/dbraw/zinc/09/83/72/453098372.db2.gz OONJHUQZVLXWPY-KRWDZBQOSA-N 2 1 332.448 1.782 20 0 EDADMP CCN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000664473498 453125549 /nfs/dbraw/zinc/12/55/49/453125549.db2.gz RZGPPGGJSNFVKH-BRWVUGGUSA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662423959 453130811 /nfs/dbraw/zinc/13/08/11/453130811.db2.gz QJFUQFHRRJBHCO-MRVPVSSYSA-N 2 1 332.267 1.827 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(CC)CCOC3)CC2)CC1 ZINC000655025088 453147327 /nfs/dbraw/zinc/14/73/27/453147327.db2.gz JOAZMFYLTVTCRH-LJQANCHMSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662479484 453192301 /nfs/dbraw/zinc/19/23/01/453192301.db2.gz JRMTVNORXPVODB-GWCFXTLKSA-N 2 1 328.254 1.905 20 0 EDADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000646183689 453194321 /nfs/dbraw/zinc/19/43/21/453194321.db2.gz MHCBEYJOGDPMIK-XYJFISCASA-N 2 1 328.460 1.881 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000666892481 453219102 /nfs/dbraw/zinc/21/91/02/453219102.db2.gz PKRFPHKGTIGKIW-JKSUJKDBSA-N 2 1 326.444 1.804 20 0 EDADMP C[N@@H+]1CC[C@H](CNC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000666910513 453232907 /nfs/dbraw/zinc/23/29/07/453232907.db2.gz ATJLKZPUGAJUNU-CYBMUJFWSA-N 2 1 326.444 1.837 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000666910513 453232914 /nfs/dbraw/zinc/23/29/14/453232914.db2.gz ATJLKZPUGAJUNU-CYBMUJFWSA-N 2 1 326.444 1.837 20 0 EDADMP C[NH+]1CC[C@H](CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000666910513 453232924 /nfs/dbraw/zinc/23/29/24/453232924.db2.gz ATJLKZPUGAJUNU-CYBMUJFWSA-N 2 1 326.444 1.837 20 0 EDADMP C[NH+]1CC[C@H](CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000666910513 453232933 /nfs/dbraw/zinc/23/29/33/453232933.db2.gz ATJLKZPUGAJUNU-CYBMUJFWSA-N 2 1 326.444 1.837 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC[N@H+]1C ZINC000648758298 453240066 /nfs/dbraw/zinc/24/00/66/453240066.db2.gz MYKWMLNOJPRNDW-WNRNVDISSA-N 2 1 336.524 1.344 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000662529610 453250340 /nfs/dbraw/zinc/25/03/40/453250340.db2.gz DNRNCYWKFSDNSJ-BBWFWOEESA-N 2 1 325.497 1.757 20 0 EDADMP CC[C@H]1C[N@H+](CCn2cccn2)CCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648790343 453278956 /nfs/dbraw/zinc/27/89/56/453278956.db2.gz IKOOBAKYYGPQAY-IXDOHACOSA-N 2 1 333.480 1.146 20 0 EDADMP CC[C@H]1C[N@@H+](CCn2cccn2)CCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648790343 453278962 /nfs/dbraw/zinc/27/89/62/453278962.db2.gz IKOOBAKYYGPQAY-IXDOHACOSA-N 2 1 333.480 1.146 20 0 EDADMP CC[C@H]1C[NH+](CCn2cccn2)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648790343 453278968 /nfs/dbraw/zinc/27/89/68/453278968.db2.gz IKOOBAKYYGPQAY-IXDOHACOSA-N 2 1 333.480 1.146 20 0 EDADMP CC[C@H]1C[NH+](CCn2cccn2)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648790343 453278971 /nfs/dbraw/zinc/27/89/71/453278971.db2.gz IKOOBAKYYGPQAY-IXDOHACOSA-N 2 1 333.480 1.146 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000648814171 453297870 /nfs/dbraw/zinc/29/78/70/453297870.db2.gz QBJYZIBABQFDOT-HOTGVXAUSA-N 2 1 334.464 1.577 20 0 EDADMP c1cc(N2CCOCC2)nc(NC[C@H]2CCC[N@H+](CC3CC3)C2)[nH+]1 ZINC000664679872 453313551 /nfs/dbraw/zinc/31/35/51/453313551.db2.gz XFHSRWFDQNPVBG-MRXNPFEDSA-N 2 1 331.464 1.847 20 0 EDADMP c1cc(N2CCOCC2)nc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)[nH+]1 ZINC000664679872 453313556 /nfs/dbraw/zinc/31/35/56/453313556.db2.gz XFHSRWFDQNPVBG-MRXNPFEDSA-N 2 1 331.464 1.847 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653121466 453313692 /nfs/dbraw/zinc/31/36/92/453313692.db2.gz WANYHWRRQZGAPS-KBAYOESNSA-N 2 1 332.492 1.292 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000648871511 453347713 /nfs/dbraw/zinc/34/77/13/453347713.db2.gz RHGHWGUPVNLMJE-GJZGRUSLSA-N 2 1 336.480 1.700 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000648871511 453347716 /nfs/dbraw/zinc/34/77/16/453347716.db2.gz RHGHWGUPVNLMJE-GJZGRUSLSA-N 2 1 336.480 1.700 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H](N)CC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000653158195 453351409 /nfs/dbraw/zinc/35/14/09/453351409.db2.gz XIJJXWBTUQAQSC-BHIYHBOVSA-N 3 1 346.519 1.682 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@H+]1C ZINC000648880168 453355248 /nfs/dbraw/zinc/35/52/48/453355248.db2.gz YHIJZKZMFYCNNP-NZSAHSFTSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH+]1C ZINC000648880168 453355259 /nfs/dbraw/zinc/35/52/59/453355259.db2.gz YHIJZKZMFYCNNP-NZSAHSFTSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH+]1C ZINC000648880168 453355269 /nfs/dbraw/zinc/35/52/69/453355269.db2.gz YHIJZKZMFYCNNP-NZSAHSFTSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653169042 453360211 /nfs/dbraw/zinc/36/02/11/453360211.db2.gz ZYWNHXOFDQWIEJ-WMZOPIPTSA-N 2 1 338.540 1.769 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000658780595 453388325 /nfs/dbraw/zinc/38/83/25/453388325.db2.gz ZHKBDPQCBOXUGX-MRXNPFEDSA-N 2 1 346.475 1.596 20 0 EDADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653202612 453397306 /nfs/dbraw/zinc/39/73/06/453397306.db2.gz PDRKKGJDKPRMQI-IMBTUZDBSA-N 2 1 346.519 1.775 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000662726199 453452591 /nfs/dbraw/zinc/45/25/91/453452591.db2.gz FRHOUVHHRBDMGO-OWYHZJEWSA-N 2 1 345.487 1.862 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)CC3([NH3+])CC3)cc2)CC1 ZINC000662755957 453492536 /nfs/dbraw/zinc/49/25/36/453492536.db2.gz DTRCGDOPQJVNOT-UHFFFAOYSA-N 2 1 330.476 1.322 20 0 EDADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)NCC(=O)c1ccccc1)C2 ZINC000660663122 453500103 /nfs/dbraw/zinc/50/01/03/453500103.db2.gz NIRLVDLLNQITIS-FQEVSTJZSA-N 2 1 343.471 1.793 20 0 EDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)NCC(=O)c1ccccc1)C2 ZINC000660663122 453500113 /nfs/dbraw/zinc/50/01/13/453500113.db2.gz NIRLVDLLNQITIS-FQEVSTJZSA-N 2 1 343.471 1.793 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)NCC(=O)c1ccccc1)C2 ZINC000660663122 453500123 /nfs/dbraw/zinc/50/01/23/453500123.db2.gz NIRLVDLLNQITIS-FQEVSTJZSA-N 2 1 343.471 1.793 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)NCC(=O)c1ccccc1)C2 ZINC000660663122 453500132 /nfs/dbraw/zinc/50/01/32/453500132.db2.gz NIRLVDLLNQITIS-FQEVSTJZSA-N 2 1 343.471 1.793 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)O1 ZINC000662771953 453508091 /nfs/dbraw/zinc/50/80/91/453508091.db2.gz JUXCYYVZWGAWRJ-XGXHKWSGSA-N 2 1 343.471 1.486 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)O1 ZINC000662771953 453508095 /nfs/dbraw/zinc/50/80/95/453508095.db2.gz JUXCYYVZWGAWRJ-XGXHKWSGSA-N 2 1 343.471 1.486 20 0 EDADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000662788013 453522713 /nfs/dbraw/zinc/52/27/13/453522713.db2.gz FVTHEFGPYQPBPB-RTBURBONSA-N 2 1 345.487 1.517 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)CC[NH2+]C3CC3)cc2)CC1 ZINC000655449461 453536474 /nfs/dbraw/zinc/53/64/74/453536474.db2.gz HIAJHHRZULLCRA-UHFFFAOYSA-N 2 1 330.476 1.192 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662859479 453574102 /nfs/dbraw/zinc/57/41/02/453574102.db2.gz NGRLHIINHJBHHD-OTWHNJEPSA-N 2 1 343.471 1.400 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659096364 453629405 /nfs/dbraw/zinc/62/94/05/453629405.db2.gz PGPDRRPIIBLEKZ-INIZCTEOSA-N 2 1 346.475 1.724 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000665270646 453631376 /nfs/dbraw/zinc/63/13/76/453631376.db2.gz LDMFHFSUWPNAGH-SJORKVTESA-N 2 1 337.533 1.804 20 0 EDADMP CC[C@H](NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000665285636 453635766 /nfs/dbraw/zinc/63/57/66/453635766.db2.gz SETBQRWUPHCIAN-UFYCRDLUSA-N 2 1 330.520 1.923 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](CO)Cc2ccccc2)CC1 ZINC000661091044 453711301 /nfs/dbraw/zinc/71/13/01/453711301.db2.gz DVXWIPDJPVAEKK-FQEVSTJZSA-N 2 1 333.520 1.938 20 0 EDADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CO1 ZINC000657310218 453763779 /nfs/dbraw/zinc/76/37/79/453763779.db2.gz ATWPBXWTEJCRHD-MSOLQXFVSA-N 2 1 331.460 1.731 20 0 EDADMP CCOC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665638768 453778379 /nfs/dbraw/zinc/77/83/79/453778379.db2.gz BGPZBONEEIADJE-HNNXBMFYSA-N 2 1 328.501 1.469 20 0 EDADMP CCOC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665638768 453778381 /nfs/dbraw/zinc/77/83/81/453778381.db2.gz BGPZBONEEIADJE-HNNXBMFYSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccc(O)cc1 ZINC000665639149 453778427 /nfs/dbraw/zinc/77/84/27/453778427.db2.gz NXKKMWJSPBWIFT-HNNXBMFYSA-N 2 1 336.480 1.806 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccc(O)cc1 ZINC000665639149 453778432 /nfs/dbraw/zinc/77/84/32/453778432.db2.gz NXKKMWJSPBWIFT-HNNXBMFYSA-N 2 1 336.480 1.806 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663363823 453780252 /nfs/dbraw/zinc/78/02/52/453780252.db2.gz NCOBTNWPMVFEAQ-VQTJNVASSA-N 2 1 347.503 1.322 20 0 EDADMP CC(C)[NH+](CCNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C(C)C ZINC000663421029 453793492 /nfs/dbraw/zinc/79/34/92/453793492.db2.gz WJZRUMGJAPDQAH-KRWDZBQOSA-N 2 1 340.512 1.346 20 0 EDADMP c1c([C@H]2CCC[N@H+](C[C@@H]3CCSC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000663509980 453812902 /nfs/dbraw/zinc/81/29/02/453812902.db2.gz DIZQVRRIQJWPGF-GJZGRUSLSA-N 2 1 335.521 1.752 20 0 EDADMP c1c([C@@H]2CCC[N@H+](C[C@H]3CCSC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000663509984 453813086 /nfs/dbraw/zinc/81/30/86/453813086.db2.gz DIZQVRRIQJWPGF-HUUCEWRRSA-N 2 1 335.521 1.752 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000577506120 486777179 /nfs/dbraw/zinc/77/71/79/486777179.db2.gz SJUAURMMXWJZGS-WMZOPIPTSA-N 2 1 333.476 1.441 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000577506120 486777181 /nfs/dbraw/zinc/77/71/81/486777181.db2.gz SJUAURMMXWJZGS-WMZOPIPTSA-N 2 1 333.476 1.441 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000577506120 486777186 /nfs/dbraw/zinc/77/71/86/486777186.db2.gz SJUAURMMXWJZGS-WMZOPIPTSA-N 2 1 333.476 1.441 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000577506120 486777190 /nfs/dbraw/zinc/77/71/90/486777190.db2.gz SJUAURMMXWJZGS-WMZOPIPTSA-N 2 1 333.476 1.441 20 0 EDADMP C[NH+]1CCC2(CCCN2C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000673082823 486904631 /nfs/dbraw/zinc/90/46/31/486904631.db2.gz DOKOPTLJVNZIIN-UHFFFAOYSA-N 2 1 331.464 1.989 20 0 EDADMP CN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681219119 486977045 /nfs/dbraw/zinc/97/70/45/486977045.db2.gz URIKUBWPTCDNBE-CRAIPNDOSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000681219119 486977050 /nfs/dbraw/zinc/97/70/50/486977050.db2.gz URIKUBWPTCDNBE-CRAIPNDOSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000681219119 486977053 /nfs/dbraw/zinc/97/70/53/486977053.db2.gz URIKUBWPTCDNBE-CRAIPNDOSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681219119 486977056 /nfs/dbraw/zinc/97/70/56/486977056.db2.gz URIKUBWPTCDNBE-CRAIPNDOSA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681219119 486977059 /nfs/dbraw/zinc/97/70/59/486977059.db2.gz URIKUBWPTCDNBE-CRAIPNDOSA-N 2 1 349.523 1.033 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000684256111 487004243 /nfs/dbraw/zinc/00/42/43/487004243.db2.gz BCGLSUXPUPEZRK-OTWHNJEPSA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000684256111 487004247 /nfs/dbraw/zinc/00/42/47/487004247.db2.gz BCGLSUXPUPEZRK-OTWHNJEPSA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000684256111 487004251 /nfs/dbraw/zinc/00/42/51/487004251.db2.gz BCGLSUXPUPEZRK-OTWHNJEPSA-N 2 1 342.487 1.854 20 0 EDADMP CN(c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)S(C)(=O)=O ZINC000677242013 487018860 /nfs/dbraw/zinc/01/88/60/487018860.db2.gz WDERPLGREBPQAS-DOTOQJQBSA-N 2 1 337.489 1.799 20 0 EDADMP C[C@@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)[NH+](C)C ZINC000677290647 487034076 /nfs/dbraw/zinc/03/40/76/487034076.db2.gz ONBYVTLZTCTBHU-JQHSSLGASA-N 2 1 338.540 1.732 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000673514129 487035370 /nfs/dbraw/zinc/03/53/70/487035370.db2.gz OUYKXVBKBGTZFJ-KURKYZTESA-N 2 1 331.460 1.347 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000673514129 487035376 /nfs/dbraw/zinc/03/53/76/487035376.db2.gz OUYKXVBKBGTZFJ-KURKYZTESA-N 2 1 331.460 1.347 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000673514129 487035378 /nfs/dbraw/zinc/03/53/78/487035378.db2.gz OUYKXVBKBGTZFJ-KURKYZTESA-N 2 1 331.460 1.347 20 0 EDADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000673514129 487035384 /nfs/dbraw/zinc/03/53/84/487035384.db2.gz OUYKXVBKBGTZFJ-KURKYZTESA-N 2 1 331.460 1.347 20 0 EDADMP O=C(C[N@H+]1CCOCC2(CCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000681474973 487057667 /nfs/dbraw/zinc/05/76/67/487057667.db2.gz GZILWNMCIVMPCL-UHFFFAOYSA-N 2 1 335.492 1.622 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C1CC[NH+](C)CC1 ZINC000673670209 487085802 /nfs/dbraw/zinc/08/58/02/487085802.db2.gz GUFOVVFCTNCECA-MAUKXSAKSA-N 2 1 330.476 1.893 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)C1CC[NH+](C)CC1 ZINC000673670209 487085805 /nfs/dbraw/zinc/08/58/05/487085805.db2.gz GUFOVVFCTNCECA-MAUKXSAKSA-N 2 1 330.476 1.893 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC000677687512 487151575 /nfs/dbraw/zinc/15/15/75/487151575.db2.gz ACZMRBNOKLZCHM-HOTGVXAUSA-N 2 1 332.510 1.244 20 0 EDADMP C[C@@H](C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+](C)C ZINC000674245543 487222546 /nfs/dbraw/zinc/22/25/46/487222546.db2.gz PKRZVCFYNDBEOG-XHSDSOJGSA-N 2 1 333.476 1.862 20 0 EDADMP Cc1nn2c(C[NH2+]CCCN3CCC[N@H+](C)CC3)c(C)nc2s1 ZINC000678012815 487227898 /nfs/dbraw/zinc/22/78/98/487227898.db2.gz SKBJPGVVDLJFRR-UHFFFAOYSA-N 2 1 336.509 1.525 20 0 EDADMP CN(C)c1ncc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000685457603 487277980 /nfs/dbraw/zinc/27/79/80/487277980.db2.gz GIYNDZQBBHSDQA-OAHLLOKOSA-N 2 1 337.537 1.809 20 0 EDADMP COc1ccc(C2([NH2+]C[C@H](O)C[N@H+](C)C3CC3)CCOCC2)cc1 ZINC000685568340 487297296 /nfs/dbraw/zinc/29/72/96/487297296.db2.gz XUVSKIACIPFNPD-KRWDZBQOSA-N 2 1 334.460 1.746 20 0 EDADMP COc1ccc(C2([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)CCOCC2)cc1 ZINC000685568340 487297299 /nfs/dbraw/zinc/29/72/99/487297299.db2.gz XUVSKIACIPFNPD-KRWDZBQOSA-N 2 1 334.460 1.746 20 0 EDADMP C[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000682916392 487430458 /nfs/dbraw/zinc/43/04/58/487430458.db2.gz LAUBLIYXTFLYAA-CQSZACIVSA-N 2 1 345.447 1.600 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1C ZINC000669522743 485490780 /nfs/dbraw/zinc/49/07/80/485490780.db2.gz HJJICKNUNAYSPS-CABCVRRESA-N 2 1 348.495 1.407 20 0 EDADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672900348 485492083 /nfs/dbraw/zinc/49/20/83/485492083.db2.gz ZRVDWMZPGQDDND-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000672900348 485492090 /nfs/dbraw/zinc/49/20/90/485492090.db2.gz ZRVDWMZPGQDDND-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000672900348 485492096 /nfs/dbraw/zinc/49/20/96/485492096.db2.gz ZRVDWMZPGQDDND-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP Cc1ccc(CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c(N2CCCC2)[nH+]1 ZINC000669555856 485558121 /nfs/dbraw/zinc/55/81/21/485558121.db2.gz LHIVIETXNCYOOB-HOCLYGCPSA-N 2 1 331.464 1.930 20 0 EDADMP Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(N2CCCC2)[nH+]1 ZINC000669555754 485558148 /nfs/dbraw/zinc/55/81/48/485558148.db2.gz FYPBHAOPSOEHLU-XJKSGUPXSA-N 2 1 331.464 1.787 20 0 EDADMP CC(C)([NH3+])CC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000236825703 485939631 /nfs/dbraw/zinc/93/96/31/485939631.db2.gz JJGLRNSXCQVLFQ-UHFFFAOYSA-N 2 1 325.375 1.227 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000669406518 486080633 /nfs/dbraw/zinc/08/06/33/486080633.db2.gz UMENZPBDUBHKBM-RBSFLKMASA-N 2 1 326.485 1.255 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)NC[C@@H]1C[NH2+]CCO1 ZINC000669420290 486138986 /nfs/dbraw/zinc/13/89/86/486138986.db2.gz IANVRNRIEUDHBJ-MSOLQXFVSA-N 2 1 346.475 1.186 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000669420292 486140002 /nfs/dbraw/zinc/14/00/02/486140002.db2.gz IANVRNRIEUDHBJ-ROUUACIJSA-N 2 1 346.475 1.186 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000570584370 486205273 /nfs/dbraw/zinc/20/52/73/486205273.db2.gz NAVSGWSMGWATEM-LMMKCTJWSA-N 2 1 341.540 1.510 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000570584370 486205278 /nfs/dbraw/zinc/20/52/78/486205278.db2.gz NAVSGWSMGWATEM-LMMKCTJWSA-N 3 1 341.540 1.510 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000570584370 486205284 /nfs/dbraw/zinc/20/52/84/486205284.db2.gz NAVSGWSMGWATEM-LMMKCTJWSA-N 3 1 341.540 1.510 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CCC2)c1ccccc1 ZINC000670406106 486448891 /nfs/dbraw/zinc/44/88/91/486448891.db2.gz GTOVHBIGPABWKY-MSOLQXFVSA-N 2 1 330.476 1.186 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1 ZINC000670406106 486448896 /nfs/dbraw/zinc/44/88/96/486448896.db2.gz GTOVHBIGPABWKY-MSOLQXFVSA-N 2 1 330.476 1.186 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccccc1 ZINC000670406106 486448899 /nfs/dbraw/zinc/44/88/99/486448899.db2.gz GTOVHBIGPABWKY-MSOLQXFVSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC[NH2+]C1CC1 ZINC000669495413 490998607 /nfs/dbraw/zinc/99/86/07/490998607.db2.gz GRAJIRUXMDBTJD-INIZCTEOSA-N 2 1 345.491 1.248 20 0 EDADMP COC1CC[NH+](CCNC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000080072832 491170578 /nfs/dbraw/zinc/17/05/78/491170578.db2.gz UTOXGCGORPDCOP-CVEARBPZSA-N 2 1 340.512 1.659 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000081768029 491181428 /nfs/dbraw/zinc/18/14/28/491181428.db2.gz PGJCZMNLAVACCP-LJQANCHMSA-N 2 1 345.487 1.744 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000353113454 534905278 /nfs/dbraw/zinc/90/52/78/534905278.db2.gz QNWDSPYNNREHKC-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000353113454 534905283 /nfs/dbraw/zinc/90/52/83/534905283.db2.gz QNWDSPYNNREHKC-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000353113454 534905288 /nfs/dbraw/zinc/90/52/88/534905288.db2.gz QNWDSPYNNREHKC-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262691713 535059611 /nfs/dbraw/zinc/05/96/11/535059611.db2.gz ARWZEFJLJBLUAD-ZBFHGGJFSA-N 2 1 332.448 1.306 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000236815882 535352934 /nfs/dbraw/zinc/35/29/34/535352934.db2.gz GJIREYDFXOLGOZ-SFHVURJKSA-N 2 1 332.492 1.438 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+](C)CCOC)c1ccco1 ZINC000263802900 535658689 /nfs/dbraw/zinc/65/86/89/535658689.db2.gz WKIUPIXJZCMSQX-HNNXBMFYSA-N 2 1 340.468 1.540 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000263301092 535688251 /nfs/dbraw/zinc/68/82/51/535688251.db2.gz DFRWMNTYSNVYDJ-SFHVURJKSA-N 2 1 332.492 1.610 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000236875414 535689249 /nfs/dbraw/zinc/68/92/49/535689249.db2.gz SLMMRGCCOFNJGG-MSOLQXFVSA-N 2 1 338.540 1.546 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236951652 535714275 /nfs/dbraw/zinc/71/42/75/535714275.db2.gz YYKXOCXBBTVWST-OWSLCNJRSA-N 2 1 336.524 1.297 20 0 EDADMP CCc1nocc1C[NH2+]C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339359679 535906531 /nfs/dbraw/zinc/90/65/31/535906531.db2.gz KSNFODZEFYTSEP-ZIAGYGMSSA-N 2 1 348.426 1.800 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262717677 535954868 /nfs/dbraw/zinc/95/48/68/535954868.db2.gz WPBDAJAWCMYTJA-LXZKKBNFSA-N 2 1 346.475 1.696 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000237234757 536447646 /nfs/dbraw/zinc/44/76/46/536447646.db2.gz PNCFPPKKFUZYKT-UKRRQHHQSA-N 2 1 335.448 1.250 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000237234757 536447650 /nfs/dbraw/zinc/44/76/50/536447650.db2.gz PNCFPPKKFUZYKT-UKRRQHHQSA-N 2 1 335.448 1.250 20 0 EDADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000245423036 536449536 /nfs/dbraw/zinc/44/95/36/536449536.db2.gz JEIWKNIYSOBAQI-QZTJIDSGSA-N 2 1 331.460 1.298 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000245423036 536449538 /nfs/dbraw/zinc/44/95/38/536449538.db2.gz JEIWKNIYSOBAQI-QZTJIDSGSA-N 2 1 331.460 1.298 20 0 EDADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000245423036 536449539 /nfs/dbraw/zinc/44/95/39/536449539.db2.gz JEIWKNIYSOBAQI-QZTJIDSGSA-N 2 1 331.460 1.298 20 0 EDADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000245423036 536449540 /nfs/dbraw/zinc/44/95/40/536449540.db2.gz JEIWKNIYSOBAQI-QZTJIDSGSA-N 2 1 331.460 1.298 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000079490598 536784098 /nfs/dbraw/zinc/78/40/98/536784098.db2.gz FTLMXABLNLPWDH-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP COC(=O)c1cn(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)nn1 ZINC000340381884 536826294 /nfs/dbraw/zinc/82/62/94/536826294.db2.gz HDINTVMHXYOFBQ-RDJZCZTQSA-N 2 1 343.431 1.490 20 0 EDADMP COC(=O)c1cn(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)nn1 ZINC000340381884 536826299 /nfs/dbraw/zinc/82/62/99/536826299.db2.gz HDINTVMHXYOFBQ-RDJZCZTQSA-N 2 1 343.431 1.490 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000726622155 578352001 /nfs/dbraw/zinc/35/20/01/578352001.db2.gz IQKPLFRVGXQSOJ-UHFFFAOYSA-N 2 1 348.491 1.933 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCCC[C@H]1C ZINC000729496851 578577678 /nfs/dbraw/zinc/57/76/78/578577678.db2.gz KNVODTJRKNGQIF-WCXIOVBPSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[N@@H+]1CCCC[C@H]1C ZINC000729496851 578577680 /nfs/dbraw/zinc/57/76/80/578577680.db2.gz KNVODTJRKNGQIF-WCXIOVBPSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[N@H+]1CCCC[C@H]1C ZINC000729496851 578577681 /nfs/dbraw/zinc/57/76/81/578577681.db2.gz KNVODTJRKNGQIF-WCXIOVBPSA-N 2 1 338.496 1.412 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000729618161 578584790 /nfs/dbraw/zinc/58/47/90/578584790.db2.gz HKISIHGUYPRNNN-IXDOHACOSA-N 2 1 336.480 1.119 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000732448146 578712768 /nfs/dbraw/zinc/71/27/68/578712768.db2.gz DSUXDQSFTOCWHW-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)CC[NH+]2CCCC2)cn1 ZINC000733038717 578739876 /nfs/dbraw/zinc/73/98/76/578739876.db2.gz SGVVVIBFNCRJKB-UHFFFAOYSA-N 2 1 342.447 1.813 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734275680 578804309 /nfs/dbraw/zinc/80/43/09/578804309.db2.gz AZJCVMGQTTWGEF-RDJZCZTQSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736141620 578956810 /nfs/dbraw/zinc/95/68/10/578956810.db2.gz AADKMLQDMRUCGB-ZIAGYGMSSA-N 2 1 344.463 1.705 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736141620 578956811 /nfs/dbraw/zinc/95/68/11/578956811.db2.gz AADKMLQDMRUCGB-ZIAGYGMSSA-N 2 1 344.463 1.705 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000745824511 579564450 /nfs/dbraw/zinc/56/44/50/579564450.db2.gz JNEOCOFLXZZTGE-PVAVHDDUSA-N 2 1 338.496 1.412 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1cnn(C)c1 ZINC000750735170 579778955 /nfs/dbraw/zinc/77/89/55/579778955.db2.gz VHZXHXKWVBMHGX-XZVRFQMRSA-N 2 1 333.480 1.308 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)NCC(F)(F)F)CC1 ZINC000751005060 579790865 /nfs/dbraw/zinc/79/08/65/579790865.db2.gz NDXLRMSKJSXWIV-UHFFFAOYSA-N 2 1 333.383 1.682 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000751386800 579803936 /nfs/dbraw/zinc/80/39/36/579803936.db2.gz VLFZDBBBYOTPKX-LJQANCHMSA-N 2 1 345.487 1.880 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000751386800 579803938 /nfs/dbraw/zinc/80/39/38/579803938.db2.gz VLFZDBBBYOTPKX-LJQANCHMSA-N 2 1 345.487 1.880 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccnc(N(C)C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000754080928 579895862 /nfs/dbraw/zinc/89/58/62/579895862.db2.gz FYWUIFSPNFEJOV-FUHWJXTLSA-N 2 1 331.508 1.605 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000754080928 579895863 /nfs/dbraw/zinc/89/58/63/579895863.db2.gz FYWUIFSPNFEJOV-FUHWJXTLSA-N 2 1 331.508 1.605 20 0 EDADMP C[C@@H](C(=O)N(CCc1ccccc1)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000755072944 579919332 /nfs/dbraw/zinc/91/93/32/579919332.db2.gz DQTBNZIRHQUTLP-SFHVURJKSA-N 2 1 346.519 1.255 20 0 EDADMP CC(C)C[C@@H]1NC(=O)N(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000755780202 579934858 /nfs/dbraw/zinc/93/48/58/579934858.db2.gz WTAPTALKRSQMJM-HOTGVXAUSA-N 2 1 336.480 1.574 20 0 EDADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000762789443 580083341 /nfs/dbraw/zinc/08/33/41/580083341.db2.gz VOVONMZNWBHRQA-IAQYHMDHSA-N 2 1 326.828 1.108 20 0 EDADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000762789443 580083342 /nfs/dbraw/zinc/08/33/42/580083342.db2.gz VOVONMZNWBHRQA-IAQYHMDHSA-N 2 1 326.828 1.108 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764468325 580120972 /nfs/dbraw/zinc/12/09/72/580120972.db2.gz WDYCZJMBFMPYFU-AYOQOUSVSA-N 2 1 335.467 1.817 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764468325 580120973 /nfs/dbraw/zinc/12/09/73/580120973.db2.gz WDYCZJMBFMPYFU-AYOQOUSVSA-N 2 1 335.467 1.817 20 0 EDADMP C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000768848986 580222337 /nfs/dbraw/zinc/22/23/37/580222337.db2.gz YQBFXZSIOULLLA-KRWDZBQOSA-N 2 1 330.476 1.361 20 0 EDADMP C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000768848986 580222338 /nfs/dbraw/zinc/22/23/38/580222338.db2.gz YQBFXZSIOULLLA-KRWDZBQOSA-N 2 1 330.476 1.361 20 0 EDADMP CC1(C)CCC[N@@H+](CCNC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000770524389 580263589 /nfs/dbraw/zinc/26/35/89/580263589.db2.gz VCSZUDLDDPEZKV-JKSUJKDBSA-N 2 1 338.496 1.271 20 0 EDADMP CC1(C)CCC[NH+](CCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000770524389 580263590 /nfs/dbraw/zinc/26/35/90/580263590.db2.gz VCSZUDLDDPEZKV-JKSUJKDBSA-N 2 1 338.496 1.271 20 0 EDADMP CC1(C)CCC[NH+](CCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000770524389 580263591 /nfs/dbraw/zinc/26/35/91/580263591.db2.gz VCSZUDLDDPEZKV-JKSUJKDBSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000770717744 580269231 /nfs/dbraw/zinc/26/92/31/580269231.db2.gz YJYSFCFVSLQUAC-HZPDHXFCSA-N 2 1 345.491 1.995 20 0 EDADMP COCc1nc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)cs1 ZINC000779649172 580492745 /nfs/dbraw/zinc/49/27/45/580492745.db2.gz IOGGGQTYXFISKI-GFCCVEGCSA-N 2 1 328.438 1.397 20 0 EDADMP COCc1nc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)cs1 ZINC000779649172 580492746 /nfs/dbraw/zinc/49/27/46/580492746.db2.gz IOGGGQTYXFISKI-GFCCVEGCSA-N 2 1 328.438 1.397 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2noc(C(C)(C)C)n2)C1 ZINC000779654485 580493402 /nfs/dbraw/zinc/49/34/02/580493402.db2.gz OHOCJJFCNZZABH-NSHDSACASA-N 2 1 325.413 1.475 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2noc(C(C)(C)C)n2)C1 ZINC000779654485 580493403 /nfs/dbraw/zinc/49/34/03/580493403.db2.gz OHOCJJFCNZZABH-NSHDSACASA-N 2 1 325.413 1.475 20 0 EDADMP Cc1cccc(CNC(=O)CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000779654198 580493519 /nfs/dbraw/zinc/49/35/19/580493519.db2.gz ZHOSWHBFKWNGOE-INIZCTEOSA-N 2 1 348.447 1.219 20 0 EDADMP Cc1cccc(CNC(=O)CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000779654198 580493520 /nfs/dbraw/zinc/49/35/20/580493520.db2.gz ZHOSWHBFKWNGOE-INIZCTEOSA-N 2 1 348.447 1.219 20 0 EDADMP Cn1c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc2oc1=O ZINC000787771574 580705039 /nfs/dbraw/zinc/70/50/39/580705039.db2.gz AMGQLHRUXMVWHM-HNNXBMFYSA-N 2 1 345.443 1.722 20 0 EDADMP O=C1O[C@]2(CN1C[NH+]1CCC([C@@H]3CCOC3)CC1)C[NH+]1CCC2CC1 ZINC000790383438 580768000 /nfs/dbraw/zinc/76/80/00/580768000.db2.gz IYECHPRJQWKDAR-APWZRJJASA-N 2 1 349.475 1.609 20 0 EDADMP C[NH+](C)Cc1cnc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000796304164 580950479 /nfs/dbraw/zinc/95/04/79/580950479.db2.gz HASDXOCMZFLQRO-HNNXBMFYSA-N 2 1 338.521 1.938 20 0 EDADMP CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000801577871 581080487 /nfs/dbraw/zinc/08/04/87/581080487.db2.gz SAYMBCSOPARPOD-YJBOKZPZSA-N 2 1 341.496 1.680 20 0 EDADMP CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000801577871 581080488 /nfs/dbraw/zinc/08/04/88/581080488.db2.gz SAYMBCSOPARPOD-YJBOKZPZSA-N 2 1 341.496 1.680 20 0 EDADMP c1cc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(-c2nn[nH]n2)c1 ZINC000738418956 598866435 /nfs/dbraw/zinc/86/64/35/598866435.db2.gz JXCRDHKQDJRKSZ-HNNXBMFYSA-N 2 1 342.447 1.663 20 0 EDADMP c1cc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(-c2nn[nH]n2)c1 ZINC000738418956 598866437 /nfs/dbraw/zinc/86/64/37/598866437.db2.gz JXCRDHKQDJRKSZ-HNNXBMFYSA-N 2 1 342.447 1.663 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000891956462 590706983 /nfs/dbraw/zinc/70/69/83/590706983.db2.gz QPNKGCMNLRGBNO-GFCCVEGCSA-N 2 1 337.493 1.401 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)CC[NH3+])C1 ZINC000892053811 590775351 /nfs/dbraw/zinc/77/53/51/590775351.db2.gz AMEDVQGDQLEWLO-DOTOQJQBSA-N 2 1 334.464 1.232 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)CC[NH3+])C1 ZINC000892053811 590775354 /nfs/dbraw/zinc/77/53/54/590775354.db2.gz AMEDVQGDQLEWLO-DOTOQJQBSA-N 2 1 334.464 1.232 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892170617 590841110 /nfs/dbraw/zinc/84/11/10/590841110.db2.gz VCVBGOLOHBMHHF-MSOLQXFVSA-N 2 1 346.475 1.247 20 0 EDADMP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000892183754 590851493 /nfs/dbraw/zinc/85/14/93/590851493.db2.gz KJRYOABRRHWWTI-SFHVURJKSA-N 2 1 346.475 1.065 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000892258336 590891418 /nfs/dbraw/zinc/89/14/18/590891418.db2.gz UNJVHFJMZRNPSM-JKSUJKDBSA-N 2 1 340.431 1.421 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000892258336 590891420 /nfs/dbraw/zinc/89/14/20/590891420.db2.gz UNJVHFJMZRNPSM-JKSUJKDBSA-N 2 1 340.431 1.421 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3cccc4c3CC[NH2+]C4)C2)C1 ZINC000892330415 590955604 /nfs/dbraw/zinc/95/56/04/590955604.db2.gz NATPIRBMXKIZNY-LJQANCHMSA-N 2 1 328.460 1.570 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000892399964 591011410 /nfs/dbraw/zinc/01/14/10/591011410.db2.gz MDPUTFROMYFUOH-ZWKOTPCHSA-N 2 1 332.492 1.930 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891347033 591053349 /nfs/dbraw/zinc/05/33/49/591053349.db2.gz FQZHGODSYCMSPQ-ZWKOTPCHSA-N 2 1 328.460 1.581 20 0 EDADMP CCN(C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000892529987 591060612 /nfs/dbraw/zinc/06/06/12/591060612.db2.gz HBJXEZFOOLZUGA-ROUUACIJSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891405191 591067600 /nfs/dbraw/zinc/06/76/00/591067600.db2.gz DAPPYRFUUKOZDT-CRAIPNDOSA-N 2 1 340.431 1.660 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891411301 591069986 /nfs/dbraw/zinc/06/99/86/591069986.db2.gz GFNWTKZAIQGBJO-HUUCEWRRSA-N 2 1 334.489 1.642 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891411301 591069991 /nfs/dbraw/zinc/06/99/91/591069991.db2.gz GFNWTKZAIQGBJO-HUUCEWRRSA-N 2 1 334.489 1.642 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)[N@H+]1CCc2ccccc2C1 ZINC000891446822 591074874 /nfs/dbraw/zinc/07/48/74/591074874.db2.gz RHFJKUKNCGBRFO-LZQZEXGQSA-N 2 1 342.487 1.969 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000891544535 591118399 /nfs/dbraw/zinc/11/83/99/591118399.db2.gz WVJRSVNHHCZSML-SJLPKXTDSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000891544535 591118402 /nfs/dbraw/zinc/11/84/02/591118402.db2.gz WVJRSVNHHCZSML-SJLPKXTDSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000891544535 591118405 /nfs/dbraw/zinc/11/84/05/591118405.db2.gz WVJRSVNHHCZSML-SJLPKXTDSA-N 2 1 330.476 1.902 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N(CC)[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000891565600 591127882 /nfs/dbraw/zinc/12/78/82/591127882.db2.gz QENCUZCIBIWRKS-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP O=C(NCc1cccc2c1CC[NH2+]C2)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000891575900 591132454 /nfs/dbraw/zinc/13/24/54/591132454.db2.gz IPJVVXHEFKISSN-KRWDZBQOSA-N 2 1 328.460 1.616 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000891577872 591132890 /nfs/dbraw/zinc/13/28/90/591132890.db2.gz SVDRLIJRHAKLJR-RHSMWYFYSA-N 2 1 326.485 1.114 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000891605464 591146911 /nfs/dbraw/zinc/14/69/11/591146911.db2.gz FAGJJGKPEBYSKM-HZPDHXFCSA-N 2 1 337.512 1.068 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC000893988863 591161259 /nfs/dbraw/zinc/16/12/59/591161259.db2.gz CZRSTLQILUHNHG-AEFFLSMTSA-N 2 1 343.475 1.644 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCc2cccc3c2CC[NH2+]C3)C[N@H+]1C1CC1 ZINC000891662285 591174263 /nfs/dbraw/zinc/17/42/63/591174263.db2.gz XXJRUWNMIVJGCA-CJNGLKHVSA-N 2 1 328.460 1.757 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000894077994 591188245 /nfs/dbraw/zinc/18/82/45/591188245.db2.gz YKXCMLOIBIRURW-KBXCAEBGSA-N 2 1 343.475 1.726 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000894077994 591188247 /nfs/dbraw/zinc/18/82/47/591188247.db2.gz YKXCMLOIBIRURW-KBXCAEBGSA-N 2 1 343.475 1.726 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)[NH+]1CCOCC1 ZINC000891740825 591206218 /nfs/dbraw/zinc/20/62/18/591206218.db2.gz YVTVWFHKKPSJNN-ZACQAIPSSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)[NH+]1CCOCC1 ZINC000891740825 591206220 /nfs/dbraw/zinc/20/62/20/591206220.db2.gz YVTVWFHKKPSJNN-ZACQAIPSSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000891764081 591216228 /nfs/dbraw/zinc/21/62/28/591216228.db2.gz ACLUUUUUWCIYDJ-OAFZBRQQSA-N 2 1 334.508 1.890 20 0 EDADMP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]c(C)c2Br)CC1 ZINC000891768433 591217249 /nfs/dbraw/zinc/21/72/49/591217249.db2.gz VHEHSHYSLKJWHM-UHFFFAOYSA-N 2 1 341.253 1.197 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000892925354 591227343 /nfs/dbraw/zinc/22/73/43/591227343.db2.gz QMQVVDJABBSQHB-UHFFFAOYSA-N 2 1 326.485 1.352 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC1 ZINC000892931099 591227846 /nfs/dbraw/zinc/22/78/46/591227846.db2.gz FZSWCGDKISLJGB-UHFFFAOYSA-N 2 1 327.517 1.125 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000892931099 591227849 /nfs/dbraw/zinc/22/78/49/591227849.db2.gz FZSWCGDKISLJGB-UHFFFAOYSA-N 2 1 327.517 1.125 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC000892934814 591229914 /nfs/dbraw/zinc/22/99/14/591229914.db2.gz KNCAAPAYEDHGBJ-UHFFFAOYSA-N 2 1 337.512 1.022 20 0 EDADMP C[C@@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000895653340 591244281 /nfs/dbraw/zinc/24/42/81/591244281.db2.gz GIXRWVDEBVGQNC-KXBFYZLASA-N 2 1 343.471 1.270 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000894346174 591285416 /nfs/dbraw/zinc/28/54/16/591285416.db2.gz QYVAAQMIPYIHTP-INIZCTEOSA-N 2 1 332.492 1.932 20 0 EDADMP CN(Cc1cnn(C)c1C1CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894459890 591318353 /nfs/dbraw/zinc/31/83/53/591318353.db2.gz RFNQTOQDOLFSEN-GOSISDBHSA-N 2 1 331.508 1.898 20 0 EDADMP Cn1ncc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1C1CC1 ZINC000894459890 591318355 /nfs/dbraw/zinc/31/83/55/591318355.db2.gz RFNQTOQDOLFSEN-GOSISDBHSA-N 2 1 331.508 1.898 20 0 EDADMP Cn1ncc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1C1CC1 ZINC000894459890 591318357 /nfs/dbraw/zinc/31/83/57/591318357.db2.gz RFNQTOQDOLFSEN-GOSISDBHSA-N 2 1 331.508 1.898 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000896138731 591360023 /nfs/dbraw/zinc/36/00/23/591360023.db2.gz UNJMIFWJBUNJMX-CJNGLKHVSA-N 2 1 335.452 1.017 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897407806 591368372 /nfs/dbraw/zinc/36/83/72/591368372.db2.gz DSDDMYWPYDCOQJ-ATZDWAIDSA-N 2 1 343.471 1.344 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC000896210394 591387848 /nfs/dbraw/zinc/38/78/48/591387848.db2.gz MHWFFRGEOCETPM-CZUORRHYSA-N 2 1 335.452 1.017 20 0 EDADMP COCCN1CCC[C@@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC000896210394 591387853 /nfs/dbraw/zinc/38/78/53/591387853.db2.gz MHWFFRGEOCETPM-CZUORRHYSA-N 2 1 335.452 1.017 20 0 EDADMP CN(CC[N@@H+](C)Cc1ccc2oc(=O)oc2c1)C1CC[NH+](C)CC1 ZINC000894765541 591414489 /nfs/dbraw/zinc/41/44/89/591414489.db2.gz JLKYXSVKCZROFW-UHFFFAOYSA-N 2 1 333.432 1.844 20 0 EDADMP C[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000896291973 591417122 /nfs/dbraw/zinc/41/71/22/591417122.db2.gz MVXRLOUHBHIWPK-MRXNPFEDSA-N 2 1 345.487 1.734 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H]3CCC4(CCC4)O3)C2)CC1 ZINC000896324340 591418551 /nfs/dbraw/zinc/41/85/51/591418551.db2.gz ATCGBYCUTMLZSN-NVXWUHKLSA-N 2 1 335.492 1.763 20 0 EDADMP CSC1(CNC(=O)NCC[N@H+]2CCC(C)(C)C2)CC[NH+](C)CC1 ZINC000894950711 591497085 /nfs/dbraw/zinc/49/70/85/591497085.db2.gz AOJJOHRKAWFEPS-UHFFFAOYSA-N 2 1 342.553 1.845 20 0 EDADMP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000897501876 591505117 /nfs/dbraw/zinc/50/51/17/591505117.db2.gz CHCWLNPZHYGYEW-GOSISDBHSA-N 2 1 349.475 1.573 20 0 EDADMP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000897501876 591505122 /nfs/dbraw/zinc/50/51/22/591505122.db2.gz CHCWLNPZHYGYEW-GOSISDBHSA-N 2 1 349.475 1.573 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000897517542 591517506 /nfs/dbraw/zinc/51/75/06/591517506.db2.gz AZQVVCVPVHBFTE-RDJZCZTQSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000896610590 591547449 /nfs/dbraw/zinc/54/74/49/591547449.db2.gz WWMMTGLWALOSSS-RBSFLKMASA-N 2 1 326.510 1.350 20 0 EDADMP C[C@@H]1CCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000896610590 591547451 /nfs/dbraw/zinc/54/74/51/591547451.db2.gz WWMMTGLWALOSSS-RBSFLKMASA-N 2 1 326.510 1.350 20 0 EDADMP C[C@@H]1CCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000896610590 591547452 /nfs/dbraw/zinc/54/74/52/591547452.db2.gz WWMMTGLWALOSSS-RBSFLKMASA-N 2 1 326.510 1.350 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)C[C@@H]1C ZINC000897557127 591553502 /nfs/dbraw/zinc/55/35/02/591553502.db2.gz FXYBKAXRSNLOEA-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)C[C@@H]1C ZINC000897557127 591553503 /nfs/dbraw/zinc/55/35/03/591553503.db2.gz FXYBKAXRSNLOEA-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000896781086 591610633 /nfs/dbraw/zinc/61/06/33/591610633.db2.gz MPUUWUZOIUYPNT-KRWDZBQOSA-N 2 1 337.508 1.963 20 0 EDADMP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC000899146114 591703040 /nfs/dbraw/zinc/70/30/40/591703040.db2.gz JDFOAWDURVPCGR-GJZGRUSLSA-N 2 1 327.469 1.153 20 0 EDADMP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC000899146114 591703043 /nfs/dbraw/zinc/70/30/43/591703043.db2.gz JDFOAWDURVPCGR-GJZGRUSLSA-N 2 1 327.469 1.153 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)[C@@H]1c1ccccc1 ZINC000897881152 591704703 /nfs/dbraw/zinc/70/47/03/591704703.db2.gz PQIXZFYFVGBQGA-QYZOEREBSA-N 2 1 345.487 1.642 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCO)[C@@H]1c1ccccc1 ZINC000897881152 591704705 /nfs/dbraw/zinc/70/47/05/591704705.db2.gz PQIXZFYFVGBQGA-QYZOEREBSA-N 2 1 345.487 1.642 20 0 EDADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCO)[C@@H]1c1ccccc1 ZINC000897881152 591704710 /nfs/dbraw/zinc/70/47/10/591704710.db2.gz PQIXZFYFVGBQGA-QYZOEREBSA-N 2 1 345.487 1.642 20 0 EDADMP C[NH+]1CCN(Cc2ccccc2-c2ccc(C3(O)C[NH2+]C3)cc2)CC1 ZINC000899325344 591782104 /nfs/dbraw/zinc/78/21/04/591782104.db2.gz VFIVGOGEMREFTL-UHFFFAOYSA-N 2 1 337.467 1.892 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604056 591816137 /nfs/dbraw/zinc/81/61/37/591816137.db2.gz VRZFITPTXLAUKU-SOUVJXGZSA-N 2 1 328.501 1.562 20 0 EDADMP CCC(CC)[NH2+]CCNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604056 591816141 /nfs/dbraw/zinc/81/61/41/591816141.db2.gz VRZFITPTXLAUKU-SOUVJXGZSA-N 2 1 328.501 1.562 20 0 EDADMP CCC1([NH+]2CCC2)CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000899558262 591849461 /nfs/dbraw/zinc/84/94/61/591849461.db2.gz HTSUZSOFJYKUIP-OAHLLOKOSA-N 2 1 325.522 1.901 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)cc2)CC1 ZINC000899981167 591851551 /nfs/dbraw/zinc/85/15/51/591851551.db2.gz OGVASLDJZXVRTQ-MJGOQNOKSA-N 2 1 346.475 1.222 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)cc2)CC1 ZINC000899981167 591851554 /nfs/dbraw/zinc/85/15/54/591851554.db2.gz OGVASLDJZXVRTQ-MJGOQNOKSA-N 2 1 346.475 1.222 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000897335984 591857436 /nfs/dbraw/zinc/85/74/36/591857436.db2.gz LPBBEMBSUMOUOY-KSZLIROESA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000897335984 591857437 /nfs/dbraw/zinc/85/74/37/591857437.db2.gz LPBBEMBSUMOUOY-KSZLIROESA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000897335984 591857441 /nfs/dbraw/zinc/85/74/41/591857441.db2.gz LPBBEMBSUMOUOY-KSZLIROESA-N 2 1 331.460 1.080 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000900159424 591920643 /nfs/dbraw/zinc/92/06/43/591920643.db2.gz GGBJPNZLCHTJNK-HXUWFJFHSA-N 2 1 345.487 1.398 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000900159424 591920646 /nfs/dbraw/zinc/92/06/46/591920646.db2.gz GGBJPNZLCHTJNK-HXUWFJFHSA-N 2 1 345.487 1.398 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000900159424 591920649 /nfs/dbraw/zinc/92/06/49/591920649.db2.gz GGBJPNZLCHTJNK-HXUWFJFHSA-N 2 1 345.487 1.398 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000900191173 591935387 /nfs/dbraw/zinc/93/53/87/591935387.db2.gz NPNNHCSSECOVLH-LZLYRXPVSA-N 2 1 325.497 1.314 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)[NH+]1CCC(C)CC1 ZINC000900191173 591935389 /nfs/dbraw/zinc/93/53/89/591935389.db2.gz NPNNHCSSECOVLH-LZLYRXPVSA-N 2 1 325.497 1.314 20 0 EDADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCC([NH+]2CCOCC2)CC1 ZINC000900214138 591945219 /nfs/dbraw/zinc/94/52/19/591945219.db2.gz AQJCVPFKTWOCGD-FOIPXRHGSA-N 2 1 335.492 1.620 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCC23CC[NH+](C)CC3)cc1 ZINC000899909641 591977217 /nfs/dbraw/zinc/97/72/17/591977217.db2.gz FZCUZFYQHJAYAC-KRWDZBQOSA-N 2 1 347.459 1.555 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)C1([NH3+])CC1 ZINC000902375361 591982877 /nfs/dbraw/zinc/98/28/77/591982877.db2.gz VGFGDXAOFYHLFJ-LLVKDONJSA-N 2 1 327.425 1.335 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC2CC[NH+](CC)CC2)C1 ZINC000900354736 591993296 /nfs/dbraw/zinc/99/32/96/591993296.db2.gz MCSRCWOKQWIPTC-MRXNPFEDSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC2CC[NH+](CC)CC2)C1 ZINC000900354736 591993298 /nfs/dbraw/zinc/99/32/98/591993298.db2.gz MCSRCWOKQWIPTC-MRXNPFEDSA-N 2 1 339.480 1.110 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccco1 ZINC000900406659 592009946 /nfs/dbraw/zinc/00/99/46/592009946.db2.gz TXRHLUXPRNPVGA-YJBOKZPZSA-N 2 1 337.464 1.626 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000900439840 592019165 /nfs/dbraw/zinc/01/91/65/592019165.db2.gz SJOZRMBIWDXGCK-RBUKOAKNSA-N 2 1 349.519 1.964 20 0 EDADMP [NH2+]=C(NOCc1cnn(-c2ccccc2)n1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902809865 592068563 /nfs/dbraw/zinc/06/85/63/592068563.db2.gz KWWJMTLDLULQJT-JKSUJKDBSA-N 2 1 342.403 1.129 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@H+]1C(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000900642472 592070762 /nfs/dbraw/zinc/07/07/62/592070762.db2.gz GQKABKRWPPQMSB-KRWDZBQOSA-N 2 1 347.507 1.679 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=O)C23CC[NH+](CC2)C3)c2cccs2)CC1 ZINC000900682412 592092901 /nfs/dbraw/zinc/09/29/01/592092901.db2.gz GVNZNPSFWSORKV-OAHLLOKOSA-N 2 1 348.516 1.249 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000903116555 592123264 /nfs/dbraw/zinc/12/32/64/592123264.db2.gz RSTIUIFEKOLFQW-ZRNYENFQSA-N 3 1 335.536 1.930 20 0 EDADMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CCN(CC3CC3)CC1)C2 ZINC000903116555 592123266 /nfs/dbraw/zinc/12/32/66/592123266.db2.gz RSTIUIFEKOLFQW-ZRNYENFQSA-N 2 1 335.536 1.930 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CCN(CC3CC3)CC1)C2 ZINC000903116555 592123268 /nfs/dbraw/zinc/12/32/68/592123268.db2.gz RSTIUIFEKOLFQW-ZRNYENFQSA-N 2 1 335.536 1.930 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]C3CCN(C(C)=O)CC3)C2)[C@@H]1C(C)C ZINC000903116961 592123460 /nfs/dbraw/zinc/12/34/60/592123460.db2.gz BSSFDYDQCJXESJ-AKHDSKFASA-N 2 1 337.508 1.457 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3CN(C4CC4)C[C@@H]3C)C2)[C@H]1C(C)C ZINC000903122009 592124043 /nfs/dbraw/zinc/12/40/43/592124043.db2.gz WFUVWARVVVCJJD-VHLJGOKISA-N 2 1 335.536 1.929 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC(=O)N(C)C2)[C@H](C)C1 ZINC000903219596 592141510 /nfs/dbraw/zinc/14/15/10/592141510.db2.gz QMHQBKLWYMFPHV-IKGGRYGDSA-N 2 1 325.497 1.581 20 0 EDADMP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1C[N@@H+](C)CCN1C ZINC000900800708 592142644 /nfs/dbraw/zinc/14/26/44/592142644.db2.gz APRTTYIEJJOWOZ-RYQLBKOJSA-N 2 1 332.492 1.430 20 0 EDADMP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900800708 592142646 /nfs/dbraw/zinc/14/26/46/592142646.db2.gz APRTTYIEJJOWOZ-RYQLBKOJSA-N 2 1 332.492 1.430 20 0 EDADMP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CN(C)CC[N@H+]1C ZINC000900800708 592142647 /nfs/dbraw/zinc/14/26/47/592142647.db2.gz APRTTYIEJJOWOZ-RYQLBKOJSA-N 2 1 332.492 1.430 20 0 EDADMP COc1nn(C)cc1CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000903336011 592155444 /nfs/dbraw/zinc/15/54/44/592155444.db2.gz HXMIOLWWEJSRPJ-WMLDXEAASA-N 2 1 329.448 1.824 20 0 EDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCn3c(Cc4ccccc4F)nnc3C2)C1 ZINC000903461878 592171571 /nfs/dbraw/zinc/17/15/71/592171571.db2.gz ZLRLXFNVTIGPLP-DZGCQCFKSA-N 2 1 329.423 1.951 20 0 EDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCn3c(Cc4ccccc4F)nnc3C2)C1 ZINC000903461878 592171574 /nfs/dbraw/zinc/17/15/74/592171574.db2.gz ZLRLXFNVTIGPLP-DZGCQCFKSA-N 2 1 329.423 1.951 20 0 EDADMP COC[C@H](C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C(C)C ZINC000903460102 592171810 /nfs/dbraw/zinc/17/18/10/592171810.db2.gz XCRWXJHKFQEGDA-XIRDDKMYSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@H]1CC[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)C[C@H]1C[NH3+] ZINC000903459657 592171816 /nfs/dbraw/zinc/17/18/16/592171816.db2.gz WDLLCAFLVOCNJC-LSDHHAIUSA-N 2 1 345.443 1.216 20 0 EDADMP CON1CC[C@@H]([NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C1=O ZINC000903464177 592172131 /nfs/dbraw/zinc/17/21/31/592172131.db2.gz CNDGSYDFULWTLQ-QGZVFWFLSA-N 2 1 347.463 1.218 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)C2 ZINC000903495076 592186805 /nfs/dbraw/zinc/18/68/05/592186805.db2.gz UCBNYNYUHOBWML-HXNLIRTISA-N 2 1 336.354 1.309 20 0 EDADMP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495884 592187696 /nfs/dbraw/zinc/18/76/96/592187696.db2.gz AZWZDHIURABJKN-HZSPNIEDSA-N 2 1 330.432 1.277 20 0 EDADMP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000901126796 592243273 /nfs/dbraw/zinc/24/32/73/592243273.db2.gz KOLAUFNPBPBPFZ-LJQANCHMSA-N 2 1 349.475 1.129 20 0 EDADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000904379849 592246537 /nfs/dbraw/zinc/24/65/37/592246537.db2.gz DKFKTKYZVKJHCM-KGLIPLIRSA-N 2 1 331.468 1.446 20 0 EDADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904411967 592251651 /nfs/dbraw/zinc/25/16/51/592251651.db2.gz QTPFAHKAWQFLAF-CZUORRHYSA-N 2 1 336.480 1.868 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC(C(C)(C)C[NH3+])CC3)cn2)CC1 ZINC000904443443 592262032 /nfs/dbraw/zinc/26/20/32/592262032.db2.gz KKEQXXVBLMFTIG-UHFFFAOYSA-N 3 1 346.523 1.425 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@H](Cc3nccs3)C2)cnn1C ZINC000904469900 592267619 /nfs/dbraw/zinc/26/76/19/592267619.db2.gz QYPOPDYZPVXWLI-CABCVRRESA-N 2 1 333.505 1.867 20 0 EDADMP CCOc1ncnc2c1C[N@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903727517 592286216 /nfs/dbraw/zinc/28/62/16/592286216.db2.gz UQWZROJZVSWKQS-AWEZNQCLSA-N 2 1 332.448 1.392 20 0 EDADMP CCOc1ncnc2c1C[N@@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903727517 592286217 /nfs/dbraw/zinc/28/62/17/592286217.db2.gz UQWZROJZVSWKQS-AWEZNQCLSA-N 2 1 332.448 1.392 20 0 EDADMP O[C@H](C[NH+]1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)c1ccccc1 ZINC000903739636 592301377 /nfs/dbraw/zinc/30/13/77/592301377.db2.gz NFEAXEOERJLDHX-VAMGGRTRSA-N 2 1 345.487 1.106 20 0 EDADMP c1cc(-c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)nc2c1CC[NH2+]C2 ZINC000904639597 592301741 /nfs/dbraw/zinc/30/17/41/592301741.db2.gz VAYGKFJTHGRMSF-IUODEOHRSA-N 2 1 327.388 1.313 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903742566 592304907 /nfs/dbraw/zinc/30/49/07/592304907.db2.gz XKUQDACPBHXHIJ-AQNXPRMDSA-N 2 1 329.488 1.961 20 0 EDADMP CN(Cc1ccccc1)[C@@H]1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903742566 592304912 /nfs/dbraw/zinc/30/49/12/592304912.db2.gz XKUQDACPBHXHIJ-AQNXPRMDSA-N 2 1 329.488 1.961 20 0 EDADMP CN(Cc1ccccc1)[C@@H]1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903742566 592304919 /nfs/dbraw/zinc/30/49/19/592304919.db2.gz XKUQDACPBHXHIJ-AQNXPRMDSA-N 2 1 329.488 1.961 20 0 EDADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903763228 592308020 /nfs/dbraw/zinc/30/80/20/592308020.db2.gz IWMPJGGTMCJOKV-SWLSCSKDSA-N 2 1 349.397 1.146 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904663776 592308643 /nfs/dbraw/zinc/30/86/43/592308643.db2.gz BVEBJSRHRKKMNZ-UHFFFAOYSA-N 2 1 333.480 1.685 20 0 EDADMP CC(C)(C)c1ncc2c(n1)CC[N@@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903770282 592310869 /nfs/dbraw/zinc/31/08/69/592310869.db2.gz WIOOPHKRYQJOIE-HNAYVOBHSA-N 2 1 330.476 1.901 20 0 EDADMP CC(C)(C)c1ncc2c(n1)CC[N@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903770282 592310876 /nfs/dbraw/zinc/31/08/76/592310876.db2.gz WIOOPHKRYQJOIE-HNAYVOBHSA-N 2 1 330.476 1.901 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(S(=O)(=O)NC3CC3)cc1)C2 ZINC000903842454 592338520 /nfs/dbraw/zinc/33/85/20/592338520.db2.gz OXUBBCUXRQVUNW-LZWOXQAQSA-N 2 1 335.473 1.439 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCCc1nc3ccccc3s1)C2 ZINC000903843485 592342857 /nfs/dbraw/zinc/34/28/57/592342857.db2.gz LVGRBXJNYCOSRN-MJBXVCDLSA-N 2 1 344.484 1.767 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCCc1nc3ccccc3s1)C2 ZINC000903843485 592342859 /nfs/dbraw/zinc/34/28/59/592342859.db2.gz LVGRBXJNYCOSRN-MJBXVCDLSA-N 2 1 344.484 1.767 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000903890218 592352355 /nfs/dbraw/zinc/35/23/55/592352355.db2.gz ZTFUZCVEXJUTJF-YJBOKZPZSA-N 2 1 349.479 1.363 20 0 EDADMP c1cc(C[NH+]2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000903876681 592356682 /nfs/dbraw/zinc/35/66/82/592356682.db2.gz HKWNPNRBHUCXHA-INIZCTEOSA-N 2 1 346.504 1.582 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000903915141 592372269 /nfs/dbraw/zinc/37/22/69/592372269.db2.gz NHQPFVSUEYWSFW-CQSZACIVSA-N 2 1 337.493 1.301 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000903915141 592372274 /nfs/dbraw/zinc/37/22/74/592372274.db2.gz NHQPFVSUEYWSFW-CQSZACIVSA-N 2 1 337.493 1.301 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)C1 ZINC000906878489 592380102 /nfs/dbraw/zinc/38/01/02/592380102.db2.gz FYTAOJPNMGXKFH-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)C1 ZINC000906878489 592380104 /nfs/dbraw/zinc/38/01/04/592380104.db2.gz FYTAOJPNMGXKFH-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C[C@H]1C1CCCC1 ZINC000903930488 592382895 /nfs/dbraw/zinc/38/28/95/592382895.db2.gz YTABMOJHGKUMRE-RYQLBKOJSA-N 2 1 333.480 1.576 20 0 EDADMP [NH3+][C@H](C[NH2+]C1CCN(S(=O)(=O)c2ccccc2)CC1)CC(F)F ZINC000903931184 592384213 /nfs/dbraw/zinc/38/42/13/592384213.db2.gz AMLLSEUENSRTNK-LBPRGKRZSA-N 2 1 347.431 1.412 20 0 EDADMP O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903937582 592387364 /nfs/dbraw/zinc/38/73/64/592387364.db2.gz NQVUGPNUVCEQFJ-NJAJRWJTSA-N 2 1 349.519 1.649 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000905060080 592397048 /nfs/dbraw/zinc/39/70/48/592397048.db2.gz JQBQHZTTXIAEGC-RBUKOAKNSA-N 2 1 336.476 1.562 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000903976862 592398507 /nfs/dbraw/zinc/39/85/07/592398507.db2.gz FLULZZAQPQVJGY-QKLQHJQFSA-N 2 1 344.455 1.766 20 0 EDADMP COC(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)oc1C ZINC000903980073 592400248 /nfs/dbraw/zinc/40/02/48/592400248.db2.gz GADZWPOFDVQPSC-IYBDPMFKSA-N 2 1 347.459 1.775 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](O)CC2(O)CCCC2)CC1 ZINC000905110244 592411113 /nfs/dbraw/zinc/41/11/13/592411113.db2.gz LHLGAQBWOUDKNE-QGZVFWFLSA-N 2 1 327.513 1.050 20 0 EDADMP C[C@H](CC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1)[N@@H+](C)Cc1ccccc1 ZINC000905147777 592438323 /nfs/dbraw/zinc/43/83/23/592438323.db2.gz RRBCXPSUNSLNAT-QRQLOZEOSA-N 2 1 336.476 1.389 20 0 EDADMP Cn1ccnc1CNc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000908350053 592456485 /nfs/dbraw/zinc/45/64/85/592456485.db2.gz UXSDONLFPWMMPF-RDJZCZTQSA-N 2 1 339.443 1.808 20 0 EDADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000905344620 592500531 /nfs/dbraw/zinc/50/05/31/592500531.db2.gz PXKCLSUJFYRALV-MRXNPFEDSA-N 2 1 341.452 1.101 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905333289 592508943 /nfs/dbraw/zinc/50/89/43/592508943.db2.gz AOYYFFPRZBZVIV-GASCZTMLSA-N 2 1 345.553 1.662 20 0 EDADMP O[C@H](C[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000905385458 592514452 /nfs/dbraw/zinc/51/44/52/592514452.db2.gz YTKFWPYHCHFUTH-CEXWTWQISA-N 2 1 334.460 1.314 20 0 EDADMP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CCC([NH+]3CCOCC3)CC1)C2 ZINC000908537621 592528888 /nfs/dbraw/zinc/52/88/88/592528888.db2.gz ZKOKXTGBSKIWLJ-AFMYVXGZSA-N 2 1 349.519 1.822 20 0 EDADMP C[C@@H]1[C@H](c2nnc(N3C[C@@H]4C[NH+](C)C[C@]4(C)C3)n2C)CCC[N@H+]1C ZINC000908567662 592542190 /nfs/dbraw/zinc/54/21/90/592542190.db2.gz TWEFLVRHWVZHQN-BASYENTBSA-N 2 1 332.496 1.401 20 0 EDADMP C[C@@H]1[C@H](c2nnc(N3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)n2C)CCC[NH+]1C ZINC000908567662 592542192 /nfs/dbraw/zinc/54/21/92/592542192.db2.gz TWEFLVRHWVZHQN-BASYENTBSA-N 2 1 332.496 1.401 20 0 EDADMP C[C@@H]1[C@H](c2nnc(N3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)n2C)CCC[NH+]1C ZINC000908567662 592542195 /nfs/dbraw/zinc/54/21/95/592542195.db2.gz TWEFLVRHWVZHQN-BASYENTBSA-N 2 1 332.496 1.401 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)C2 ZINC000905501869 592545919 /nfs/dbraw/zinc/54/59/19/592545919.db2.gz HSACCUZRVJSCSJ-ZSXDVEMLSA-N 2 1 336.451 1.928 20 0 EDADMP CC(C)COc1cncc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000905702373 592615340 /nfs/dbraw/zinc/61/53/40/592615340.db2.gz FPUZWVRUQXGXBZ-CALCHBBNSA-N 2 1 345.491 1.916 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)C2)c1 ZINC000905925562 592684535 /nfs/dbraw/zinc/68/45/35/592684535.db2.gz UMUPULWQTSCBST-JZXOWHBKSA-N 2 1 335.448 1.026 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H](O)C[C@@]3(O)CCOC3)C2)c1 ZINC000905925562 592684537 /nfs/dbraw/zinc/68/45/37/592684537.db2.gz UMUPULWQTSCBST-JZXOWHBKSA-N 2 1 335.448 1.026 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)CCC2(O)CCC2)CC1 ZINC000905931278 592687283 /nfs/dbraw/zinc/68/72/83/592687283.db2.gz KSCNGJDBZQBGRC-NVXWUHKLSA-N 2 1 328.497 1.067 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218836 592760306 /nfs/dbraw/zinc/76/03/06/592760306.db2.gz OEFLGSUESWOKTK-CVEARBPZSA-N 2 1 331.464 1.047 20 0 EDADMP C[C@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000909204560 592768566 /nfs/dbraw/zinc/76/85/66/592768566.db2.gz XKABYBOWIRCFHP-YVWKXTFCSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000909204560 592768569 /nfs/dbraw/zinc/76/85/69/592768569.db2.gz XKABYBOWIRCFHP-YVWKXTFCSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000909204560 592768570 /nfs/dbraw/zinc/76/85/70/592768570.db2.gz XKABYBOWIRCFHP-YVWKXTFCSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000909204560 592768573 /nfs/dbraw/zinc/76/85/73/592768573.db2.gz XKABYBOWIRCFHP-YVWKXTFCSA-N 2 1 345.487 1.422 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000907782831 592793222 /nfs/dbraw/zinc/79/32/22/592793222.db2.gz MEAITROVNVGZCR-UHFFFAOYSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906382802 592814158 /nfs/dbraw/zinc/81/41/58/592814158.db2.gz UFSRTBCUPBWZID-LPHOPBHVSA-N 2 1 344.503 1.432 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906382802 592814160 /nfs/dbraw/zinc/81/41/60/592814160.db2.gz UFSRTBCUPBWZID-LPHOPBHVSA-N 2 1 344.503 1.432 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906382802 592814162 /nfs/dbraw/zinc/81/41/62/592814162.db2.gz UFSRTBCUPBWZID-LPHOPBHVSA-N 2 1 344.503 1.432 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000906645014 592865806 /nfs/dbraw/zinc/86/58/06/592865806.db2.gz IJJVGQHBXXRIIX-UONOGXRCSA-N 2 1 332.448 1.320 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000910933218 592902028 /nfs/dbraw/zinc/90/20/28/592902028.db2.gz IIHDZUNAGUJJOZ-CQSZACIVSA-N 2 1 340.512 1.022 20 0 EDADMP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912030022 593050072 /nfs/dbraw/zinc/05/00/72/593050072.db2.gz TZSQIEADIHKHOY-JKSUJKDBSA-N 2 1 325.497 1.901 20 0 EDADMP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000912590206 593106842 /nfs/dbraw/zinc/10/68/42/593106842.db2.gz PNJMVHHNLUBTQV-GOSISDBHSA-N 2 1 347.503 1.888 20 0 EDADMP O=C1[C@H](C2CC2)[C@@H](C2CC2)N1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000839964207 593246657 /nfs/dbraw/zinc/24/66/57/593246657.db2.gz PBQAAKCXVXWZGR-RTBURBONSA-N 2 1 347.503 1.635 20 0 EDADMP C[NH+](C)CCOC1CC[NH+](CN2C(=O)[C@@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000840002487 593331342 /nfs/dbraw/zinc/33/13/42/593331342.db2.gz DDCNWEWLJDSNNZ-ZWKOTPCHSA-N 2 1 335.492 1.634 20 0 EDADMP C[C@@H]1C[C@H](C)[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840006433 593342222 /nfs/dbraw/zinc/34/22/22/593342222.db2.gz CATYKYWJPWUBPY-ATLSCFEFSA-N 2 1 341.455 1.791 20 0 EDADMP C[C@@H]1C[C@H](C)[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840006433 593342225 /nfs/dbraw/zinc/34/22/25/593342225.db2.gz CATYKYWJPWUBPY-ATLSCFEFSA-N 2 1 341.455 1.791 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)[C@H](C)C1 ZINC000809702777 593355914 /nfs/dbraw/zinc/35/59/14/593355914.db2.gz YHKRONSNPRVOFF-FXUDXRNXSA-N 2 1 331.526 1.414 20 0 EDADMP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000806480344 593449032 /nfs/dbraw/zinc/44/90/32/593449032.db2.gz IXDWSHQGIBHFFO-UHFFFAOYSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000806542080 593457094 /nfs/dbraw/zinc/45/70/94/593457094.db2.gz OMLCFAQWHRJTSA-INIZCTEOSA-N 2 1 328.501 1.207 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000813820421 593556437 /nfs/dbraw/zinc/55/64/37/593556437.db2.gz FUTFWZFBTVLCSQ-YJBOKZPZSA-N 2 1 343.475 1.606 20 0 EDADMP C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cc2)C1=O ZINC000817929516 593649868 /nfs/dbraw/zinc/64/98/68/593649868.db2.gz PLBVDBUBUUIPTE-JTDSTZFVSA-N 2 1 342.443 1.881 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]CCC(=O)N(C)OC)CC1 ZINC000818958633 593730354 /nfs/dbraw/zinc/73/03/54/593730354.db2.gz SNBYHRCJJRKOIR-UHFFFAOYSA-N 2 1 348.491 1.324 20 0 EDADMP Cc1cc(NC(=O)CC[NH2+]Cc2cccnc2-n2cc[nH+]c2C)no1 ZINC000818971627 593731259 /nfs/dbraw/zinc/73/12/59/593731259.db2.gz ZYJHBMQIFGXJLH-UHFFFAOYSA-N 2 1 340.387 1.991 20 0 EDADMP Cc1cc(C)cc([C@@H](O)C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000818997522 593732932 /nfs/dbraw/zinc/73/29/32/593732932.db2.gz CWCFOMOYOXVMTI-MOPGFXCFSA-N 2 1 347.503 1.869 20 0 EDADMP Cc1cc(C)cc([C@@H](O)C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000818997522 593732933 /nfs/dbraw/zinc/73/29/33/593732933.db2.gz CWCFOMOYOXVMTI-MOPGFXCFSA-N 2 1 347.503 1.869 20 0 EDADMP Cc1cc(F)ccc1[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000819003811 593733484 /nfs/dbraw/zinc/73/34/84/593733484.db2.gz HIXYZEXAUZOUFR-WMLDXEAASA-N 2 1 337.439 1.345 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000819062817 593736762 /nfs/dbraw/zinc/73/67/62/593736762.db2.gz UMQUJANRAQFXDI-HNNXBMFYSA-N 2 1 325.840 1.127 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1(C)C ZINC000819288058 593748708 /nfs/dbraw/zinc/74/87/08/593748708.db2.gz UHQZCOLUKKFTJH-MRXNPFEDSA-N 2 1 325.884 1.989 20 0 EDADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@H]21 ZINC000821625849 593886895 /nfs/dbraw/zinc/88/68/95/593886895.db2.gz WVURJYADIJNFMQ-CZUORRHYSA-N 2 1 330.411 1.922 20 0 EDADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@H]21 ZINC000821625849 593886897 /nfs/dbraw/zinc/88/68/97/593886897.db2.gz WVURJYADIJNFMQ-CZUORRHYSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@H]21 ZINC000821625849 593886899 /nfs/dbraw/zinc/88/68/99/593886899.db2.gz WVURJYADIJNFMQ-CZUORRHYSA-N 2 1 330.411 1.922 20 0 EDADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@H]21 ZINC000821625849 593886901 /nfs/dbraw/zinc/88/69/01/593886901.db2.gz WVURJYADIJNFMQ-CZUORRHYSA-N 2 1 330.411 1.922 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000840453512 594004899 /nfs/dbraw/zinc/00/48/99/594004899.db2.gz PSSFPKQRXDKKSJ-YOEHRIQHSA-N 2 1 329.460 1.162 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000824942560 594101688 /nfs/dbraw/zinc/10/16/88/594101688.db2.gz XAHPVYAWRSKMSB-RTBURBONSA-N 2 1 345.487 1.742 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000824942560 594101689 /nfs/dbraw/zinc/10/16/89/594101689.db2.gz XAHPVYAWRSKMSB-RTBURBONSA-N 2 1 345.487 1.742 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000824942560 594101690 /nfs/dbraw/zinc/10/16/90/594101690.db2.gz XAHPVYAWRSKMSB-RTBURBONSA-N 2 1 345.487 1.742 20 0 EDADMP COC(=O)CC[C@H]([NH3+])c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000822802839 594103156 /nfs/dbraw/zinc/10/31/56/594103156.db2.gz DHRRUFBGHCJSPJ-AWEZNQCLSA-N 2 1 348.403 1.630 20 0 EDADMP C[NH+](C)C1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000825856212 594263235 /nfs/dbraw/zinc/26/32/35/594263235.db2.gz RPQIKNXJHGLBPD-UHFFFAOYSA-N 2 1 343.435 1.221 20 0 EDADMP CN1c2ccc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)cc2CCC1=O ZINC000830651813 594447732 /nfs/dbraw/zinc/44/77/32/594447732.db2.gz JDORVQFSXZFKQU-UHFFFAOYSA-N 2 1 343.471 1.892 20 0 EDADMP CN1c2ccc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)cc2CCC1=O ZINC000830651813 594447735 /nfs/dbraw/zinc/44/77/35/594447735.db2.gz JDORVQFSXZFKQU-UHFFFAOYSA-N 2 1 343.471 1.892 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000826685023 594554859 /nfs/dbraw/zinc/55/48/59/594554859.db2.gz DTWLRFPCCJAKMV-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000826999994 594620381 /nfs/dbraw/zinc/62/03/81/594620381.db2.gz FXUYAEYHCVEJHG-MRXNPFEDSA-N 2 1 327.388 1.602 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000841727203 594944119 /nfs/dbraw/zinc/94/41/19/594944119.db2.gz PZEDUVNUQOFKND-IUODEOHRSA-N 2 1 328.420 1.373 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000841727127 594944140 /nfs/dbraw/zinc/94/41/40/594944140.db2.gz ORSJKFDUQPSUTP-DZGCQCFKSA-N 2 1 342.447 1.763 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000841791418 594953902 /nfs/dbraw/zinc/95/39/02/594953902.db2.gz WQGVIRPIEDYVNI-LZLYRXPVSA-N 2 1 344.459 1.036 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc([C@@]4(F)CC[NH2+]C4)n3)cn2)CC1 ZINC000843199635 595030942 /nfs/dbraw/zinc/03/09/42/595030942.db2.gz ZQVSHYNPSWZLHW-MRXNPFEDSA-N 2 1 332.383 1.042 20 0 EDADMP O=C(CCCC[NH+]1CCCC1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000844199349 595300689 /nfs/dbraw/zinc/30/06/89/595300689.db2.gz YTUZEHYALBECRR-UHFFFAOYSA-N 2 1 336.524 1.585 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000844901478 595410436 /nfs/dbraw/zinc/41/04/36/595410436.db2.gz FSGDSGRDHJAFEJ-KZNAEPCWSA-N 3 1 341.459 1.986 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000847411401 595413959 /nfs/dbraw/zinc/41/39/59/595413959.db2.gz CDINCGDKOUARRQ-GEEKYZPCSA-N 2 1 326.485 1.077 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848647010 595422118 /nfs/dbraw/zinc/42/21/18/595422118.db2.gz BPRXXYDJFLSYDH-CAOSSQGBSA-N 2 1 342.553 1.433 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848647010 595422119 /nfs/dbraw/zinc/42/21/19/595422119.db2.gz BPRXXYDJFLSYDH-CAOSSQGBSA-N 2 1 342.553 1.433 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848647010 595422120 /nfs/dbraw/zinc/42/21/20/595422120.db2.gz BPRXXYDJFLSYDH-CAOSSQGBSA-N 2 1 342.553 1.433 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848647010 595422121 /nfs/dbraw/zinc/42/21/21/595422121.db2.gz BPRXXYDJFLSYDH-CAOSSQGBSA-N 2 1 342.553 1.433 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)cc1 ZINC000847617373 595458475 /nfs/dbraw/zinc/45/84/75/595458475.db2.gz ZTRWFSHIMNMULR-UHFFFAOYSA-N 2 1 333.476 1.319 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)s1 ZINC000849088363 595479695 /nfs/dbraw/zinc/47/96/95/595479695.db2.gz GTMVFIOMPNXKGQ-LLVKDONJSA-N 2 1 344.506 1.250 20 0 EDADMP COc1c(C)cnc(CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1C ZINC000108568599 595520018 /nfs/dbraw/zinc/52/00/18/595520018.db2.gz OZXMSCHCLUTHPU-OAHLLOKOSA-N 2 1 332.448 1.991 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000849486800 595547695 /nfs/dbraw/zinc/54/76/95/595547695.db2.gz JAKVYKLJGBDUTC-QZTJIDSGSA-N 2 1 347.507 1.448 20 0 EDADMP CC(C)[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)C(C)C ZINC000849485445 595548248 /nfs/dbraw/zinc/54/82/48/595548248.db2.gz WVMYIKRJLGOYFC-ROUUACIJSA-N 2 1 349.523 1.690 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849517011 595557255 /nfs/dbraw/zinc/55/72/55/595557255.db2.gz MHTLKMLTELGQTP-BHYGNILZSA-N 2 1 335.496 1.302 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849517011 595557257 /nfs/dbraw/zinc/55/72/57/595557257.db2.gz MHTLKMLTELGQTP-BHYGNILZSA-N 2 1 335.496 1.302 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849517011 595557259 /nfs/dbraw/zinc/55/72/59/595557259.db2.gz MHTLKMLTELGQTP-BHYGNILZSA-N 2 1 335.496 1.302 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849541268 595560555 /nfs/dbraw/zinc/56/05/55/595560555.db2.gz MOKMLDZACWLBKN-NXHRZFHOSA-N 2 1 349.523 1.690 20 0 EDADMP CN(C)c1cc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000849556993 595565645 /nfs/dbraw/zinc/56/56/45/595565645.db2.gz FGEXGWKEFHQAPN-HOTGVXAUSA-N 2 1 342.447 1.555 20 0 EDADMP CN(C)c1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000849556993 595565648 /nfs/dbraw/zinc/56/56/48/595565648.db2.gz FGEXGWKEFHQAPN-HOTGVXAUSA-N 2 1 342.447 1.555 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC2(C)CC[NH+](C)CC2)cn1 ZINC000849572598 595574828 /nfs/dbraw/zinc/57/48/28/595574828.db2.gz CFKOLTQIOKDGDR-IRXDYDNUSA-N 2 1 347.507 1.304 20 0 EDADMP CC1=CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849579750 595580781 /nfs/dbraw/zinc/58/07/81/595580781.db2.gz RMNYDRVTDVPFFO-QZTJIDSGSA-N 2 1 345.491 1.224 20 0 EDADMP CC1=CC[N@H+](CCNC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849579750 595580784 /nfs/dbraw/zinc/58/07/84/595580784.db2.gz RMNYDRVTDVPFFO-QZTJIDSGSA-N 2 1 345.491 1.224 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849579750 595580788 /nfs/dbraw/zinc/58/07/88/595580788.db2.gz RMNYDRVTDVPFFO-QZTJIDSGSA-N 2 1 345.491 1.224 20 0 EDADMP C[C@@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000852872514 595591334 /nfs/dbraw/zinc/59/13/34/595591334.db2.gz OUPZPJGRHSIILU-GDBMZVCRSA-N 2 1 330.432 1.213 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849614564 595597316 /nfs/dbraw/zinc/59/73/16/595597316.db2.gz ZSUQGMHMLPAWDE-HYVNUMGLSA-N 2 1 333.480 1.056 20 0 EDADMP C[C@@H]1CCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849614564 595597321 /nfs/dbraw/zinc/59/73/21/595597321.db2.gz ZSUQGMHMLPAWDE-HYVNUMGLSA-N 2 1 333.480 1.056 20 0 EDADMP C[C@@H]1CCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849614564 595597324 /nfs/dbraw/zinc/59/73/24/595597324.db2.gz ZSUQGMHMLPAWDE-HYVNUMGLSA-N 2 1 333.480 1.056 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000115549522 595598084 /nfs/dbraw/zinc/59/80/84/595598084.db2.gz CFZDONSVDGPFRE-KRWDZBQOSA-N 2 1 328.403 1.777 20 0 EDADMP O=C(C=C1CC[NH2+]CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000852887125 595599588 /nfs/dbraw/zinc/59/95/88/595599588.db2.gz GCGXSLYLSHMNPT-LJQANCHMSA-N 2 1 343.471 1.704 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852918718 595614988 /nfs/dbraw/zinc/61/49/88/595614988.db2.gz FWNMWBUDOHSOTJ-IBGZPJMESA-N 2 1 342.487 1.229 20 0 EDADMP C[C@@H](C[NH3+])NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000851663872 595874454 /nfs/dbraw/zinc/87/44/54/595874454.db2.gz LKKKHMQDUCDCEJ-RDJZCZTQSA-N 2 1 330.476 1.935 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H]2COC(C)(C)O2)CC1 ZINC000851740880 595903198 /nfs/dbraw/zinc/90/31/98/595903198.db2.gz ANRXXZAVKLFZQR-BRWVUGGUSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1noc2ccccc12 ZINC000854229086 596009016 /nfs/dbraw/zinc/00/90/16/596009016.db2.gz XXSUVYOASCLGFM-AWEZNQCLSA-N 2 1 347.463 1.899 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1noc2ccccc12 ZINC000854229086 596009019 /nfs/dbraw/zinc/00/90/19/596009019.db2.gz XXSUVYOASCLGFM-AWEZNQCLSA-N 2 1 347.463 1.899 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCC(=O)N3)C2)ccn1 ZINC000856606862 596032194 /nfs/dbraw/zinc/03/21/94/596032194.db2.gz PNSWUWXIOPANBA-YJBOKZPZSA-N 2 1 346.475 1.654 20 0 EDADMP CC[C@H](C(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1)[NH+](C)C ZINC000856630502 596040226 /nfs/dbraw/zinc/04/02/26/596040226.db2.gz GGYVOGDZGIUADP-QZTJIDSGSA-N 2 1 348.491 1.853 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000852122846 596051183 /nfs/dbraw/zinc/05/11/83/596051183.db2.gz JGUQATOYBOFDDS-NRXISQOPSA-N 2 1 329.485 1.675 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000852122846 596051186 /nfs/dbraw/zinc/05/11/86/596051186.db2.gz JGUQATOYBOFDDS-NRXISQOPSA-N 2 1 329.485 1.675 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000852122846 596051188 /nfs/dbraw/zinc/05/11/88/596051188.db2.gz JGUQATOYBOFDDS-NRXISQOPSA-N 2 1 329.485 1.675 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000852122846 596051189 /nfs/dbraw/zinc/05/11/89/596051189.db2.gz JGUQATOYBOFDDS-NRXISQOPSA-N 2 1 329.485 1.675 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000861702424 596073369 /nfs/dbraw/zinc/07/33/69/596073369.db2.gz NVKQWTTUUAJBMB-KVSKMBFKSA-N 2 1 346.475 1.015 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[NH+]1C ZINC000854642670 596145623 /nfs/dbraw/zinc/14/56/23/596145623.db2.gz QYAWXFLJGHJGIW-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000854642670 596145625 /nfs/dbraw/zinc/14/56/25/596145625.db2.gz QYAWXFLJGHJGIW-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000854642670 596145628 /nfs/dbraw/zinc/14/56/28/596145628.db2.gz QYAWXFLJGHJGIW-DLBZAZTESA-N 2 1 325.497 1.820 20 0 EDADMP Cc1cccnc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000866669315 596285881 /nfs/dbraw/zinc/28/58/81/596285881.db2.gz XNGBKGZWWKKNQU-BZUAXINKSA-N 2 1 332.448 1.689 20 0 EDADMP Cc1cccnc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000866669315 596285885 /nfs/dbraw/zinc/28/58/85/596285885.db2.gz XNGBKGZWWKKNQU-BZUAXINKSA-N 2 1 332.448 1.689 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000866703266 596300264 /nfs/dbraw/zinc/30/02/64/596300264.db2.gz HVFCARHETDUSHS-IBGZPJMESA-N 2 1 333.476 1.879 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000866703266 596300266 /nfs/dbraw/zinc/30/02/66/596300266.db2.gz HVFCARHETDUSHS-IBGZPJMESA-N 2 1 333.476 1.879 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000866709896 596303826 /nfs/dbraw/zinc/30/38/26/596303826.db2.gz MSXWHRRAVSAJQD-VNQPRFMTSA-N 2 1 333.457 1.646 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000870858741 596380013 /nfs/dbraw/zinc/38/00/13/596380013.db2.gz BSMAXPXNRGNMPC-KVSKMBFKSA-N 2 1 331.435 1.987 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000870858741 596380018 /nfs/dbraw/zinc/38/00/18/596380018.db2.gz BSMAXPXNRGNMPC-KVSKMBFKSA-N 2 1 331.435 1.987 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000867793284 596552711 /nfs/dbraw/zinc/55/27/11/596552711.db2.gz HHBNOZKLOBUVBP-INIZCTEOSA-N 2 1 343.537 1.797 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000867793284 596552715 /nfs/dbraw/zinc/55/27/15/596552715.db2.gz HHBNOZKLOBUVBP-INIZCTEOSA-N 2 1 343.537 1.797 20 0 EDADMP CC(=O)NCC1CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000865457493 596581252 /nfs/dbraw/zinc/58/12/52/596581252.db2.gz MCRCGAZULGWTBE-ABHNRTSZSA-N 2 1 325.497 1.508 20 0 EDADMP NC(=O)COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863647076 596643823 /nfs/dbraw/zinc/64/38/23/596643823.db2.gz WWWWSKKZVNNHPQ-JSGCOSHPSA-N 2 1 345.365 1.510 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863647076 596643826 /nfs/dbraw/zinc/64/38/26/596643826.db2.gz WWWWSKKZVNNHPQ-JSGCOSHPSA-N 2 1 345.365 1.510 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1CC1 ZINC000868230208 596736690 /nfs/dbraw/zinc/73/66/90/596736690.db2.gz VUXNLQYZGGPABF-JKSUJKDBSA-N 2 1 330.432 1.040 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000868309544 596782449 /nfs/dbraw/zinc/78/24/49/596782449.db2.gz KPPVWBNDIXDVSS-DUVNUKRYSA-N 2 1 330.432 1.197 20 0 EDADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157026 596815893 /nfs/dbraw/zinc/81/58/93/596815893.db2.gz MZSUDBFNBIXRFL-HOCLYGCPSA-N 2 1 339.480 1.285 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000872256210 596856431 /nfs/dbraw/zinc/85/64/31/596856431.db2.gz QTGUJAIRPPFPQM-JSSFPYSZSA-N 2 1 343.427 1.420 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875609297 596917924 /nfs/dbraw/zinc/91/79/24/596917924.db2.gz GTOOCYKCRVZBMB-GJZGRUSLSA-N 2 1 328.501 1.251 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875609297 596917927 /nfs/dbraw/zinc/91/79/27/596917927.db2.gz GTOOCYKCRVZBMB-GJZGRUSLSA-N 2 1 328.501 1.251 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000875609297 596917930 /nfs/dbraw/zinc/91/79/30/596917930.db2.gz GTOOCYKCRVZBMB-GJZGRUSLSA-N 2 1 328.501 1.251 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@@H]3CCC[NH+]4C)cc2C1 ZINC000874365892 597037791 /nfs/dbraw/zinc/03/77/91/597037791.db2.gz TWIDAFCRPCNGEO-SJORKVTESA-N 2 1 342.443 1.266 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@@H]3CCC[NH+]4C)cc2C1 ZINC000874365892 597037792 /nfs/dbraw/zinc/03/77/92/597037792.db2.gz TWIDAFCRPCNGEO-SJORKVTESA-N 2 1 342.443 1.266 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4C)cc2C1 ZINC000874365892 597037794 /nfs/dbraw/zinc/03/77/94/597037794.db2.gz TWIDAFCRPCNGEO-SJORKVTESA-N 2 1 342.443 1.266 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4C)cc2C1 ZINC000874365892 597037796 /nfs/dbraw/zinc/03/77/96/597037796.db2.gz TWIDAFCRPCNGEO-SJORKVTESA-N 2 1 342.443 1.266 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccco1 ZINC000874432054 597075871 /nfs/dbraw/zinc/07/58/71/597075871.db2.gz UBOWVVWHXJDYBT-DLBZAZTESA-N 2 1 342.443 1.896 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccco1 ZINC000874432310 597075945 /nfs/dbraw/zinc/07/59/45/597075945.db2.gz XDNJUJPFWPJKHX-IJLUTSLNSA-N 2 1 348.369 1.661 20 0 EDADMP [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000874432837 597076709 /nfs/dbraw/zinc/07/67/09/597076709.db2.gz RTSPWIKTOFYUPB-LRYGQEGESA-N 2 1 328.460 1.926 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCCN1Cc1ccccn1 ZINC000874838665 597192953 /nfs/dbraw/zinc/19/29/53/597192953.db2.gz QSRUVSCBJXMBFS-KZNAEPCWSA-N 2 1 328.460 1.741 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3C[C@H]4CCC[C@H]4O3)cn2)CC1 ZINC000873157175 597213716 /nfs/dbraw/zinc/21/37/16/597213716.db2.gz SSHGQQZLZNRRBI-IXDOHACOSA-N 2 1 331.464 1.276 20 0 EDADMP CC(=O)Nc1cccc2c1C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000873217943 597231160 /nfs/dbraw/zinc/23/11/60/597231160.db2.gz VKMNUJUAQYBYCJ-OAHLLOKOSA-N 2 1 344.459 1.200 20 0 EDADMP O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000876727137 597308304 /nfs/dbraw/zinc/30/83/04/597308304.db2.gz UMSTUWNQAMSSDJ-SQRWCISFSA-N 2 1 333.501 1.991 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000876765002 597329508 /nfs/dbraw/zinc/32/95/08/597329508.db2.gz QCRZXCJADMKXPV-XUWVNRHRSA-N 2 1 329.460 1.187 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876841012 597355691 /nfs/dbraw/zinc/35/56/91/597355691.db2.gz IQZZHLKGIBGQRQ-HKUYNNGSSA-N 2 1 330.476 1.048 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876841012 597355695 /nfs/dbraw/zinc/35/56/95/597355695.db2.gz IQZZHLKGIBGQRQ-HKUYNNGSSA-N 2 1 330.476 1.048 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000875296190 597373675 /nfs/dbraw/zinc/37/36/75/597373675.db2.gz UHURYLMQFQCQQQ-INIZCTEOSA-N 2 1 338.496 1.223 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000020939693 597375819 /nfs/dbraw/zinc/37/58/19/597375819.db2.gz PYXXERAPSSUYNW-UHFFFAOYSA-N 2 1 345.491 1.014 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2c(C[NH3+])cnn2C)CC1 ZINC000876942551 597391784 /nfs/dbraw/zinc/39/17/84/597391784.db2.gz ZFGGEATXQNXGCJ-HNNXBMFYSA-N 2 1 347.507 1.996 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877016321 597412163 /nfs/dbraw/zinc/41/21/63/597412163.db2.gz LCKCRBFWAHOAFH-STQMWFEESA-N 2 1 332.370 1.957 20 0 EDADMP CC1(C)CC[C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[NH2+]C1 ZINC000877153960 597445088 /nfs/dbraw/zinc/44/50/88/597445088.db2.gz LGFHAKVJDQGMBK-MSOLQXFVSA-N 2 1 345.487 1.782 20 0 EDADMP CC1(C)CC[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[NH2+]C1 ZINC000877153960 597445092 /nfs/dbraw/zinc/44/50/92/597445092.db2.gz LGFHAKVJDQGMBK-MSOLQXFVSA-N 2 1 345.487 1.782 20 0 EDADMP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]([NH3+])c1ccccc1Br ZINC000877184483 597455325 /nfs/dbraw/zinc/45/53/25/597455325.db2.gz OPAZJFCPIBQMAO-VROQLPPWSA-N 2 1 338.249 1.931 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000877230074 597469973 /nfs/dbraw/zinc/46/99/73/597469973.db2.gz WOWBTLPYWJNPNK-SJLPKXTDSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000877230074 597469976 /nfs/dbraw/zinc/46/99/76/597469976.db2.gz WOWBTLPYWJNPNK-SJLPKXTDSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000877229824 597469999 /nfs/dbraw/zinc/46/99/99/597469999.db2.gz QYLLFTMXMOKVFO-QGZVFWFLSA-N 2 1 331.460 1.441 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000877229824 597470001 /nfs/dbraw/zinc/47/00/01/597470001.db2.gz QYLLFTMXMOKVFO-QGZVFWFLSA-N 2 1 331.460 1.441 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280988 597485949 /nfs/dbraw/zinc/48/59/49/597485949.db2.gz FVUWWRWUDQYSCT-BZSNNMDCSA-N 2 1 329.444 1.240 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280988 597485951 /nfs/dbraw/zinc/48/59/51/597485951.db2.gz FVUWWRWUDQYSCT-BZSNNMDCSA-N 2 1 329.444 1.240 20 0 EDADMP COCC[C@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)NC(=O)OC(C)(C)C ZINC000877545669 597533410 /nfs/dbraw/zinc/53/34/10/597533410.db2.gz KVCUKRNYHTYDOD-QAPCUYQASA-N 2 1 341.496 1.944 20 0 EDADMP COCC[C@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)NC(=O)OC(C)(C)C ZINC000877545669 597533412 /nfs/dbraw/zinc/53/34/12/597533412.db2.gz KVCUKRNYHTYDOD-QAPCUYQASA-N 2 1 341.496 1.944 20 0 EDADMP COCC[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)NC(=O)OC(C)(C)C ZINC000877545669 597533413 /nfs/dbraw/zinc/53/34/13/597533413.db2.gz KVCUKRNYHTYDOD-QAPCUYQASA-N 2 1 341.496 1.944 20 0 EDADMP COCC[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)NC(=O)OC(C)(C)C ZINC000877545669 597533415 /nfs/dbraw/zinc/53/34/15/597533415.db2.gz KVCUKRNYHTYDOD-QAPCUYQASA-N 2 1 341.496 1.944 20 0 EDADMP COCC[N@H+](Cc1ccc2oc(=O)n(C)c2c1)CC1CC[NH+](C)CC1 ZINC000877664193 597546035 /nfs/dbraw/zinc/54/60/35/597546035.db2.gz MONPAYAOSVDJBF-UHFFFAOYSA-N 2 1 347.459 1.922 20 0 EDADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2scnc2Cl)CC1 ZINC000878230373 597588481 /nfs/dbraw/zinc/58/84/81/597588481.db2.gz JTKGKGQJILEURJ-UHFFFAOYSA-N 2 1 330.885 1.686 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000879580144 597641604 /nfs/dbraw/zinc/64/16/04/597641604.db2.gz RVBSTOAPEWUNKA-AABGKKOBSA-N 2 1 329.488 1.649 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000879580144 597641607 /nfs/dbraw/zinc/64/16/07/597641607.db2.gz RVBSTOAPEWUNKA-AABGKKOBSA-N 2 1 329.488 1.649 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000879580144 597641609 /nfs/dbraw/zinc/64/16/09/597641609.db2.gz RVBSTOAPEWUNKA-AABGKKOBSA-N 2 1 329.488 1.649 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(F)F)n[nH]1 ZINC000878589049 597645961 /nfs/dbraw/zinc/64/59/61/597645961.db2.gz CNSBCTMYHLNGFK-LBPRGKRZSA-N 2 1 343.422 1.835 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1CCC3(CCOCC3)CO1)CCO2 ZINC000878769395 597706282 /nfs/dbraw/zinc/70/62/82/597706282.db2.gz OOLKYBNOZQWURD-QGZVFWFLSA-N 2 1 338.492 1.759 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000883300783 597706404 /nfs/dbraw/zinc/70/64/04/597706404.db2.gz HMGOAGIFPRKCJM-KKUMJFAQSA-N 2 1 343.537 1.699 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883415871 597739318 /nfs/dbraw/zinc/73/93/18/597739318.db2.gz HEXVPIUMXAHOGP-HOTGVXAUSA-N 2 1 336.480 1.166 20 0 EDADMP CCOC(=O)c1sc([C@H]2CC[N@@H+](CCOCC[NH3+])C2)nc1C ZINC000883448665 597750765 /nfs/dbraw/zinc/75/07/65/597750765.db2.gz MSGFNPVNMJRHIX-LBPRGKRZSA-N 2 1 327.450 1.393 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)CC[N@H+]1C ZINC000883456797 597755299 /nfs/dbraw/zinc/75/52/99/597755299.db2.gz JKEDWIPYLGXYMN-PVAVHDDUSA-N 2 1 338.496 1.412 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000883490218 597773249 /nfs/dbraw/zinc/77/32/49/597773249.db2.gz HHNKCKDOQSPWGI-MRXNPFEDSA-N 2 1 326.485 1.269 20 0 EDADMP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879952602 597781838 /nfs/dbraw/zinc/78/18/38/597781838.db2.gz XPNAVHJGYFZMMF-IRXDYDNUSA-N 2 1 328.497 1.739 20 0 EDADMP Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C)CC3)C2)nc1 ZINC000879057705 597805520 /nfs/dbraw/zinc/80/55/20/597805520.db2.gz UPJSVUMSMWZIMX-INIZCTEOSA-N 2 1 332.448 1.054 20 0 EDADMP Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NC3CC[NH+](C)CC3)C2)nc1 ZINC000879057705 597805523 /nfs/dbraw/zinc/80/55/23/597805523.db2.gz UPJSVUMSMWZIMX-INIZCTEOSA-N 2 1 332.448 1.054 20 0 EDADMP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1c1cc[nH+]cc1 ZINC000883679919 597859958 /nfs/dbraw/zinc/85/99/58/597859958.db2.gz XRKNXDYFTLJLDR-DUZACMNTSA-N 2 1 343.475 1.927 20 0 EDADMP CCC1([NH+]2CCCCC2)CC[NH+](CCC(=O)NCC(=O)OC)CC1 ZINC000880256653 597885036 /nfs/dbraw/zinc/88/50/36/597885036.db2.gz LRXLQGYMOMASIC-UHFFFAOYSA-N 2 1 339.480 1.396 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H]3CC[C@H]3OC)CC2)CC1 ZINC000889331122 597936508 /nfs/dbraw/zinc/93/65/08/597936508.db2.gz ITDCCXJCDVRMLP-QZTJIDSGSA-N 2 1 337.508 1.819 20 0 EDADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)CC1(O)CCOCC1 ZINC000880517394 597953235 /nfs/dbraw/zinc/95/32/35/597953235.db2.gz PZHUIXSLXNMMQD-KRWDZBQOSA-N 2 1 328.497 1.477 20 0 EDADMP C[C@H](C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2)[NH+](C)C ZINC000882592213 598000249 /nfs/dbraw/zinc/00/02/49/598000249.db2.gz ACXXDKLFILHMCC-HLIPFELVSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@H](C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2)[NH+](C)C ZINC000882592213 598000250 /nfs/dbraw/zinc/00/02/50/598000250.db2.gz ACXXDKLFILHMCC-HLIPFELVSA-N 2 1 345.487 1.829 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1)Cc1ccccc1 ZINC000884213133 598031768 /nfs/dbraw/zinc/03/17/68/598031768.db2.gz UOLWAXMWUVGTLC-LJQANCHMSA-N 2 1 344.503 1.390 20 0 EDADMP COCC[C@@H]([NH3+])C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884223725 598035326 /nfs/dbraw/zinc/03/53/26/598035326.db2.gz XRBRJHIFCBMZHR-ATLSCFEFSA-N 2 1 333.476 1.623 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884435461 598104704 /nfs/dbraw/zinc/10/47/04/598104704.db2.gz YNXTVJQNXVTSRB-CYBMUJFWSA-N 2 1 333.354 1.400 20 0 EDADMP CCO[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000914074386 695069385 /nfs/dbraw/zinc/06/93/85/695069385.db2.gz DKEVCZMABZWINS-OWCLPIDISA-N 2 1 328.501 1.373 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccnc1 ZINC000914160682 695172509 /nfs/dbraw/zinc/17/25/09/695172509.db2.gz ISEKGDJWPNETKN-YJBOKZPZSA-N 2 1 345.491 1.858 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnon3)[C@H]2C1)C1CCC1 ZINC000992717481 695233638 /nfs/dbraw/zinc/23/36/38/695233638.db2.gz VUTFJYAXTSDVCH-RRQGHBQHSA-N 2 1 347.463 1.271 20 0 EDADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001060464426 695249822 /nfs/dbraw/zinc/24/98/22/695249822.db2.gz WRIUTVHNQGXBOP-CQSZACIVSA-N 2 1 349.479 1.037 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CC1)[N@@H+]1CCc2sccc2C1 ZINC000914193348 695262065 /nfs/dbraw/zinc/26/20/65/695262065.db2.gz XJVKIDGKUUXNLW-ZDUSSCGKSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CC1)[N@H+]1CCc2sccc2C1 ZINC000914193348 695262067 /nfs/dbraw/zinc/26/20/67/695262067.db2.gz XJVKIDGKUUXNLW-ZDUSSCGKSA-N 2 1 336.505 1.888 20 0 EDADMP C[NH+]1CCC(CC(=O)NC2C[NH+](C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC001031053176 695394963 /nfs/dbraw/zinc/39/49/63/695394963.db2.gz ZNHYHCKCMFJTEJ-CQSZACIVSA-N 2 1 329.435 1.954 20 0 EDADMP C[NH+]1CCC(CC(=O)NC2C[NH+](C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC001031053175 695395055 /nfs/dbraw/zinc/39/50/55/695395055.db2.gz ZNHYHCKCMFJTEJ-AWEZNQCLSA-N 2 1 329.435 1.954 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001031260022 696066630 /nfs/dbraw/zinc/06/66/30/696066630.db2.gz JNLKFMMZWOZQHB-ZIAGYGMSSA-N 2 1 329.435 1.954 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001031260022 696066632 /nfs/dbraw/zinc/06/66/32/696066632.db2.gz JNLKFMMZWOZQHB-ZIAGYGMSSA-N 2 1 329.435 1.954 20 0 EDADMP COCC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993610242 696256951 /nfs/dbraw/zinc/25/69/51/696256951.db2.gz FGKQUSKXBQTOJX-HUUCEWRRSA-N 2 1 334.464 1.377 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993610242 696256952 /nfs/dbraw/zinc/25/69/52/696256952.db2.gz FGKQUSKXBQTOJX-HUUCEWRRSA-N 2 1 334.464 1.377 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994211250 696583502 /nfs/dbraw/zinc/58/35/02/696583502.db2.gz YHHAQYKGRAHSSH-MAUKXSAKSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1[C@H](NC(=O)Cc2cncn2C)CCC[N@H+]1CCOC1CCC1 ZINC000994219004 696587654 /nfs/dbraw/zinc/58/76/54/696587654.db2.gz AIKDIGZNNYPRPA-WMLDXEAASA-N 2 1 334.464 1.501 20 0 EDADMP Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)o1 ZINC000994253165 696654083 /nfs/dbraw/zinc/65/40/83/696654083.db2.gz NATNUEUVPPAEBH-XJKSGUPXSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)o1 ZINC000994253165 696654084 /nfs/dbraw/zinc/65/40/84/696654084.db2.gz NATNUEUVPPAEBH-XJKSGUPXSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1ncccc1C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994257803 696664097 /nfs/dbraw/zinc/66/40/97/696664097.db2.gz UGHVPESTLVGUEH-FUHWJXTLSA-N 2 1 342.487 1.955 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1CCc1cnn(C)c1 ZINC000994415036 696840808 /nfs/dbraw/zinc/84/08/08/696840808.db2.gz ZERPWXIKKDUBAN-NVXWUHKLSA-N 2 1 333.480 1.028 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1CCc1cnn(C)c1 ZINC000994415036 696840811 /nfs/dbraw/zinc/84/08/11/696840811.db2.gz ZERPWXIKKDUBAN-NVXWUHKLSA-N 2 1 333.480 1.028 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(Cc2cc(C)ncn2)[C@@H]1C ZINC000994425259 696847185 /nfs/dbraw/zinc/84/71/85/696847185.db2.gz RRVKUUHGFKXCAZ-RHSMWYFYSA-N 2 1 342.447 1.459 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994489176 696931271 /nfs/dbraw/zinc/93/12/71/696931271.db2.gz TXFSSSZCJNMVNY-CRAIPNDOSA-N 2 1 333.476 1.977 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000917413282 697014444 /nfs/dbraw/zinc/01/44/44/697014444.db2.gz ZLUHCTIZZLCVSK-UKRRQHHQSA-N 2 1 326.485 1.268 20 0 EDADMP Cc1ccc(C)c([C@@H](C)[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC001031597409 697298247 /nfs/dbraw/zinc/29/82/47/697298247.db2.gz ZYKSLXGRSPTYFY-APWZRJJASA-N 2 1 345.487 1.743 20 0 EDADMP Cc1ccc(C)c([C@@H](C)[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001031597409 697298249 /nfs/dbraw/zinc/29/82/49/697298249.db2.gz ZYKSLXGRSPTYFY-APWZRJJASA-N 2 1 345.487 1.743 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000995033421 700151075 /nfs/dbraw/zinc/15/10/75/700151075.db2.gz AMQOGBFDALQDEZ-WBVHZDCISA-N 2 1 327.432 1.661 20 0 EDADMP Cc1ncsc1C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668539 697461314 /nfs/dbraw/zinc/46/13/14/697461314.db2.gz IUHBMHMAOFSDJK-JKSUJKDBSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1ncsc1C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668539 697461315 /nfs/dbraw/zinc/46/13/15/697461315.db2.gz IUHBMHMAOFSDJK-JKSUJKDBSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cs1 ZINC001031688815 697527117 /nfs/dbraw/zinc/52/71/17/697527117.db2.gz LLLOBYWUTLXOPM-SJORKVTESA-N 2 1 349.500 1.468 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001031713566 697733057 /nfs/dbraw/zinc/73/30/57/697733057.db2.gz BXUPYLWEKOVJBG-LJQANCHMSA-N 2 1 345.487 1.988 20 0 EDADMP CC(C)=CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727770 697978256 /nfs/dbraw/zinc/97/82/56/697978256.db2.gz SEGFAQCQCLGJDR-SFHVURJKSA-N 2 1 335.492 1.644 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943337619 698155670 /nfs/dbraw/zinc/15/56/70/698155670.db2.gz YUHJYRQPVKGFOG-CRAIPNDOSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940109082 700221711 /nfs/dbraw/zinc/22/17/11/700221711.db2.gz LBOUAARVMJHFCN-SJORKVTESA-N 2 1 337.508 1.866 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000940120970 700254241 /nfs/dbraw/zinc/25/42/41/700254241.db2.gz VTOIGHMVZREBAP-NVXWUHKLSA-N 2 1 347.507 1.539 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnn(C)c2)C1 ZINC001032118034 698999366 /nfs/dbraw/zinc/99/93/66/698999366.db2.gz PVLLKUFOLOYXGW-GOSISDBHSA-N 2 1 347.507 1.623 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnn(C)c2)C1 ZINC001032118034 698999368 /nfs/dbraw/zinc/99/93/68/698999368.db2.gz PVLLKUFOLOYXGW-GOSISDBHSA-N 2 1 347.507 1.623 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000939129774 699227247 /nfs/dbraw/zinc/22/72/47/699227247.db2.gz ZHARRKBPPGBUTB-ZBFHGGJFSA-N 2 1 333.480 1.089 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001031802441 699364302 /nfs/dbraw/zinc/36/43/02/699364302.db2.gz QRNOHHGPIYOWHJ-SJLPKXTDSA-N 2 1 337.508 1.581 20 0 EDADMP C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1[NH2+]Cc1ccon1 ZINC000939316836 699506817 /nfs/dbraw/zinc/50/68/17/699506817.db2.gz SVWOITIANGBCQT-KBXCAEBGSA-N 2 1 342.443 1.987 20 0 EDADMP CCC[NH+]1CC(N2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)C1 ZINC000941678683 701616472 /nfs/dbraw/zinc/61/64/72/701616472.db2.gz DQGVJHIMHLOODP-LJQANCHMSA-N 2 1 344.503 1.528 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000939752901 699902031 /nfs/dbraw/zinc/90/20/31/699902031.db2.gz BIZXRTHVLLVLRL-BXUZGUMPSA-N 2 1 326.391 1.673 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)c1 ZINC000939755094 699906060 /nfs/dbraw/zinc/90/60/60/699906060.db2.gz PFBFHFDJEBMFBS-KSSFIOAISA-N 2 1 342.443 1.837 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nnc(C2CC2)s1 ZINC000939755550 699906739 /nfs/dbraw/zinc/90/67/39/699906739.db2.gz QWJZNSZGHZEUHA-GXTWGEPZSA-N 2 1 349.504 1.448 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]CCc2ccccc2)C1 ZINC000939756676 699923283 /nfs/dbraw/zinc/92/32/83/699923283.db2.gz VRNJVLFKODIMAQ-MAUKXSAKSA-N 2 1 326.444 1.871 20 0 EDADMP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000940159671 700292912 /nfs/dbraw/zinc/29/29/12/700292912.db2.gz OHZBVZZTYMWKCY-MRXNPFEDSA-N 2 1 347.507 1.765 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940328027 700506032 /nfs/dbraw/zinc/50/60/32/700506032.db2.gz CPXIPRMNENOUCS-HOCLYGCPSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nccs2)CC1 ZINC000940329248 700508380 /nfs/dbraw/zinc/50/83/80/700508380.db2.gz SHVHIKMWEXCJNM-ZIAGYGMSSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)no1 ZINC000940329160 700508542 /nfs/dbraw/zinc/50/85/42/700508542.db2.gz QKSZPZOUEIGVHR-AWEZNQCLSA-N 2 1 334.464 1.796 20 0 EDADMP CCn1ncnc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000940329474 700508897 /nfs/dbraw/zinc/50/88/97/700508897.db2.gz UBGURQVGRASAHT-HNNXBMFYSA-N 2 1 348.495 1.253 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cccnc2)CC1 ZINC000940329707 700509710 /nfs/dbraw/zinc/50/97/10/700509710.db2.gz XPQFXQPIJMODSF-WBVHZDCISA-N 2 1 330.476 1.750 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000940426285 700620016 /nfs/dbraw/zinc/62/00/16/700620016.db2.gz NNSPIPGIJQIJAS-IRXDYDNUSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)n2)CC1 ZINC000940472654 700658104 /nfs/dbraw/zinc/65/81/04/700658104.db2.gz OPUFNYJOBVPVBT-MRXNPFEDSA-N 2 1 348.495 1.160 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cs1 ZINC000940457604 700661198 /nfs/dbraw/zinc/66/11/98/700661198.db2.gz MOWLJGYCINSGCC-AWEZNQCLSA-N 2 1 336.505 1.874 20 0 EDADMP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940457482 700661214 /nfs/dbraw/zinc/66/12/14/700661214.db2.gz HTAOWHYHBRWFSP-HNNXBMFYSA-N 2 1 333.480 1.325 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940457685 700661399 /nfs/dbraw/zinc/66/13/99/700661399.db2.gz PNTLABXDFJSNHE-OAHLLOKOSA-N 2 1 348.491 1.968 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940625698 700787773 /nfs/dbraw/zinc/78/77/73/700787773.db2.gz UZIMXDNQNFAZQJ-CVEARBPZSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625698 700787774 /nfs/dbraw/zinc/78/77/74/700787774.db2.gz UZIMXDNQNFAZQJ-CVEARBPZSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625698 700787775 /nfs/dbraw/zinc/78/77/75/700787775.db2.gz UZIMXDNQNFAZQJ-CVEARBPZSA-N 2 1 334.464 1.794 20 0 EDADMP CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000940801887 700907279 /nfs/dbraw/zinc/90/72/79/700907279.db2.gz YQTOAIXELAFOMZ-IAGOWNOFSA-N 2 1 337.508 1.602 20 0 EDADMP CC1(C)C[NH+](CCO)CC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000940801887 700907281 /nfs/dbraw/zinc/90/72/81/700907281.db2.gz YQTOAIXELAFOMZ-IAGOWNOFSA-N 2 1 337.508 1.602 20 0 EDADMP CC1(C)C[NH+](CCO)CC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000940801887 700907283 /nfs/dbraw/zinc/90/72/83/700907283.db2.gz YQTOAIXELAFOMZ-IAGOWNOFSA-N 2 1 337.508 1.602 20 0 EDADMP Cn1nccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000995106613 700935400 /nfs/dbraw/zinc/93/54/00/700935400.db2.gz MRLOHIMCKPCTHP-HZPDHXFCSA-N 2 1 347.507 1.527 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](CC[C@H]3CCCO3)C2)C1 ZINC001031918833 701037569 /nfs/dbraw/zinc/03/75/69/701037569.db2.gz IIBYXCWGKBJQPM-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001031921864 701070217 /nfs/dbraw/zinc/07/02/17/701070217.db2.gz KHIOBANKEIYYHL-LPHOPBHVSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3cnon3)CC2(C)C)C1 ZINC000941163324 701228075 /nfs/dbraw/zinc/22/80/75/701228075.db2.gz JNIMNRXBHCHUGZ-HIFRSBDPSA-N 2 1 335.452 1.128 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)n1 ZINC000999168433 706596203 /nfs/dbraw/zinc/59/62/03/706596203.db2.gz JDZLFAQTYPTVPR-DQPZFDDXSA-N 2 1 347.463 1.331 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217274 701403465 /nfs/dbraw/zinc/40/34/65/701403465.db2.gz LNVBQYZSIOMSBW-RHSMWYFYSA-N 2 1 348.491 1.905 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941217274 701403467 /nfs/dbraw/zinc/40/34/67/701403467.db2.gz LNVBQYZSIOMSBW-RHSMWYFYSA-N 2 1 348.491 1.905 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217274 701403468 /nfs/dbraw/zinc/40/34/68/701403468.db2.gz LNVBQYZSIOMSBW-RHSMWYFYSA-N 2 1 348.491 1.905 20 0 EDADMP Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217645 701404153 /nfs/dbraw/zinc/40/41/53/701404153.db2.gz RJUMULCUEGLWKE-RDJZCZTQSA-N 2 1 347.507 1.131 20 0 EDADMP Cn1nccc1CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941217645 701404154 /nfs/dbraw/zinc/40/41/54/701404154.db2.gz RJUMULCUEGLWKE-RDJZCZTQSA-N 2 1 347.507 1.131 20 0 EDADMP Cn1nccc1CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217645 701404155 /nfs/dbraw/zinc/40/41/55/701404155.db2.gz RJUMULCUEGLWKE-RDJZCZTQSA-N 2 1 347.507 1.131 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221543 701412022 /nfs/dbraw/zinc/41/20/22/701412022.db2.gz WVMINWBPNLSYNA-MRXNPFEDSA-N 2 1 334.464 1.796 20 0 EDADMP CC[C@H](C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1)OC ZINC000941223883 701414071 /nfs/dbraw/zinc/41/40/71/701414071.db2.gz MJJTVYIOQAOYQW-CVEARBPZSA-N 2 1 336.480 1.833 20 0 EDADMP CC[C@H](C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1)OC ZINC000941223883 701414072 /nfs/dbraw/zinc/41/40/72/701414072.db2.gz MJJTVYIOQAOYQW-CVEARBPZSA-N 2 1 336.480 1.833 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000941224754 701414763 /nfs/dbraw/zinc/41/47/63/701414763.db2.gz YPWIIFMZXXGWMH-DLBZAZTESA-N 2 1 348.491 1.835 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000941224754 701414764 /nfs/dbraw/zinc/41/47/64/701414764.db2.gz YPWIIFMZXXGWMH-DLBZAZTESA-N 2 1 348.491 1.835 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941236900 701427420 /nfs/dbraw/zinc/42/74/20/701427420.db2.gz CNVZHJFUZMMEMH-MAUKXSAKSA-N 2 1 347.503 1.959 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCO)CC1(C)C ZINC000941236962 701427554 /nfs/dbraw/zinc/42/75/54/701427554.db2.gz DLWSTKRJXJNVIP-HOTGVXAUSA-N 2 1 325.497 1.460 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941236962 701427555 /nfs/dbraw/zinc/42/75/55/701427555.db2.gz DLWSTKRJXJNVIP-HOTGVXAUSA-N 2 1 325.497 1.460 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941236962 701427556 /nfs/dbraw/zinc/42/75/56/701427556.db2.gz DLWSTKRJXJNVIP-HOTGVXAUSA-N 2 1 325.497 1.460 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC000999172092 706602906 /nfs/dbraw/zinc/60/29/06/706602906.db2.gz ZWZLKKVLWXTDPQ-CABCVRRESA-N 2 1 349.504 1.269 20 0 EDADMP Cn1ccnc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518510 706604303 /nfs/dbraw/zinc/60/43/03/706604303.db2.gz VGEMRGFZRVDHKF-IXDOHACOSA-N 2 1 345.491 1.185 20 0 EDADMP Cn1ccnc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518510 706604305 /nfs/dbraw/zinc/60/43/05/706604305.db2.gz VGEMRGFZRVDHKF-IXDOHACOSA-N 2 1 345.491 1.185 20 0 EDADMP Cn1ccnc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946518510 706604309 /nfs/dbraw/zinc/60/43/09/706604309.db2.gz VGEMRGFZRVDHKF-IXDOHACOSA-N 2 1 345.491 1.185 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941405073 701519281 /nfs/dbraw/zinc/51/92/81/701519281.db2.gz ZNUCVLLLAMKDRL-IBGZPJMESA-N 2 1 348.535 1.654 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941405073 701519282 /nfs/dbraw/zinc/51/92/82/701519282.db2.gz ZNUCVLLLAMKDRL-IBGZPJMESA-N 2 1 348.535 1.654 20 0 EDADMP CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408845 701521287 /nfs/dbraw/zinc/52/12/87/701521287.db2.gz WRGAKGYVQLRRBI-QZTJIDSGSA-N 2 1 348.535 1.489 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccccn3)C2)C1 ZINC001032128609 701792757 /nfs/dbraw/zinc/79/27/57/701792757.db2.gz HYVOZGLMHDRQHE-WMZOPIPTSA-N 2 1 330.476 1.750 20 0 EDADMP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128646 701794881 /nfs/dbraw/zinc/79/48/81/701794881.db2.gz JCMNDLGXEGLTTO-IRXDYDNUSA-N 2 1 345.491 1.453 20 0 EDADMP Cn1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)cn1 ZINC001032129059 701807606 /nfs/dbraw/zinc/80/76/06/701807606.db2.gz PQNNQQAAVOLVON-IRXDYDNUSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032129459 701821597 /nfs/dbraw/zinc/82/15/97/701821597.db2.gz YOBFKPUYUVQQDU-AEFFLSMTSA-N 2 1 347.507 1.397 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130089 701833525 /nfs/dbraw/zinc/83/35/25/701833525.db2.gz FTNJJBVIOWMNQX-UHFFFAOYSA-N 2 1 332.448 1.189 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCc4ccccc43)C2)C1 ZINC001032202285 701918424 /nfs/dbraw/zinc/91/84/24/701918424.db2.gz PYIISFHVFAKYAM-RTBURBONSA-N 2 1 343.471 1.443 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCc4ccccc43)C2)C1 ZINC001032202285 701918426 /nfs/dbraw/zinc/91/84/26/701918426.db2.gz PYIISFHVFAKYAM-RTBURBONSA-N 2 1 343.471 1.443 20 0 EDADMP CC(C)n1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC000999189987 706632268 /nfs/dbraw/zinc/63/22/68/706632268.db2.gz PAPNAZRZHHDUJP-BFYDXBDKSA-N 2 1 348.495 1.280 20 0 EDADMP CC(C)n1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC000999189987 706632270 /nfs/dbraw/zinc/63/22/70/706632270.db2.gz PAPNAZRZHHDUJP-BFYDXBDKSA-N 2 1 348.495 1.280 20 0 EDADMP CC[C@H](C)C[NH+]1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001031979219 702049969 /nfs/dbraw/zinc/04/99/69/702049969.db2.gz UGTCXTZXUANHDU-AWEZNQCLSA-N 2 1 334.464 1.978 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995824857 702095851 /nfs/dbraw/zinc/09/58/51/702095851.db2.gz LLKKFHAEQHWGLU-BMFZPTHFSA-N 2 1 333.480 1.087 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)o1 ZINC000995826209 702099007 /nfs/dbraw/zinc/09/90/07/702099007.db2.gz PGTJQWPFWZJRIY-KFWWJZLASA-N 2 1 334.464 1.650 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)o1 ZINC000995826209 702099015 /nfs/dbraw/zinc/09/90/15/702099015.db2.gz PGTJQWPFWZJRIY-KFWWJZLASA-N 2 1 334.464 1.650 20 0 EDADMP CC1(C)CN(C(=O)CCc2cnc[nH]2)C[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000995879078 702185869 /nfs/dbraw/zinc/18/58/69/702185869.db2.gz BJTRBYBJBKUKPX-ZBFHGGJFSA-N 2 1 334.464 1.596 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2nccs2)C(C)(C)C1)C1CC1 ZINC000995900812 702207530 /nfs/dbraw/zinc/20/75/30/702207530.db2.gz ZRZGSUASEDHXPB-DZGCQCFKSA-N 2 1 336.505 1.810 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCc4c3cc(F)cc4F)C2)C1 ZINC001032182801 702211088 /nfs/dbraw/zinc/21/10/88/702211088.db2.gz RGEMXEKXLKAXCV-SCLBCKFNSA-N 2 1 349.425 1.952 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCc4c3cc(F)cc4F)C2)C1 ZINC001032182801 702211093 /nfs/dbraw/zinc/21/10/93/702211093.db2.gz RGEMXEKXLKAXCV-SCLBCKFNSA-N 2 1 349.425 1.952 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995885484 702221108 /nfs/dbraw/zinc/22/11/08/702221108.db2.gz JOOKKVCHCWXJBY-OAHLLOKOSA-N 2 1 334.464 1.794 20 0 EDADMP Cn1cnnc1C[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995913933 702273079 /nfs/dbraw/zinc/27/30/79/702273079.db2.gz JEQINZWRPLIHSL-CABCVRRESA-N 2 1 348.495 1.016 20 0 EDADMP Cn1cnnc1C[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995913933 702273086 /nfs/dbraw/zinc/27/30/86/702273086.db2.gz JEQINZWRPLIHSL-CABCVRRESA-N 2 1 348.495 1.016 20 0 EDADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001032664804 706659819 /nfs/dbraw/zinc/65/98/19/706659819.db2.gz SXMBGIDSVCXOAA-JYJNAYRXSA-N 2 1 334.464 1.717 20 0 EDADMP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001032664804 706659821 /nfs/dbraw/zinc/65/98/21/706659821.db2.gz SXMBGIDSVCXOAA-JYJNAYRXSA-N 2 1 334.464 1.717 20 0 EDADMP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]Cc1ncccn1 ZINC000995999074 702378241 /nfs/dbraw/zinc/37/82/41/702378241.db2.gz SFRFNKFKOVARBW-OAHLLOKOSA-N 2 1 343.475 1.432 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)nn1C ZINC000944170000 702412572 /nfs/dbraw/zinc/41/25/72/702412572.db2.gz RJIAPMWFJQXFEV-PBHICJAKSA-N 2 1 345.491 1.151 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)nn1C ZINC000944170000 702412575 /nfs/dbraw/zinc/41/25/75/702412575.db2.gz RJIAPMWFJQXFEV-PBHICJAKSA-N 2 1 345.491 1.151 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996045608 702440128 /nfs/dbraw/zinc/44/01/28/702440128.db2.gz YISHFERSAWFRKW-CQSZACIVSA-N 2 1 333.461 1.675 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+][C@@H](C)c2cnccn2)C(C)(C)C1 ZINC000996041686 702457584 /nfs/dbraw/zinc/45/75/84/702457584.db2.gz GZTKKQOEASRJEG-HOCLYGCPSA-N 2 1 342.447 1.569 20 0 EDADMP Cc1ncoc1CN[C@@H]1CN(C(=O)CCc2nccn2C)CC1(C)C ZINC000996079529 702484664 /nfs/dbraw/zinc/48/46/64/702484664.db2.gz AUZSYTFCEPSEDB-OAHLLOKOSA-N 2 1 345.447 1.676 20 0 EDADMP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cscn2)C(C)(C)C1 ZINC000996300385 702691582 /nfs/dbraw/zinc/69/15/82/702691582.db2.gz LFQQEMHUABCCRF-ZFWWWQNUSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cscn2)C(C)(C)C1 ZINC000996300385 702691583 /nfs/dbraw/zinc/69/15/83/702691583.db2.gz LFQQEMHUABCCRF-ZFWWWQNUSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)n1 ZINC000996300918 702692698 /nfs/dbraw/zinc/69/26/98/702692698.db2.gz PBPLNTDCNRSWHZ-HOCLYGCPSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)n1 ZINC000996300918 702692699 /nfs/dbraw/zinc/69/26/99/702692699.db2.gz PBPLNTDCNRSWHZ-HOCLYGCPSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]CC3CCOCC3)C(C)(C)C2)C1 ZINC000996302610 702694856 /nfs/dbraw/zinc/69/48/56/702694856.db2.gz XWQSVXVFUSTJJE-RDJZCZTQSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)o1 ZINC000996302768 702694894 /nfs/dbraw/zinc/69/48/94/702694894.db2.gz ZCJBHANCAXTPTD-CXAGYDPISA-N 2 1 348.491 1.960 20 0 EDADMP C[C@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942209325 702715168 /nfs/dbraw/zinc/71/51/68/702715168.db2.gz VPNNNUSZHXPPIP-GXTWGEPZSA-N 2 1 326.416 1.536 20 0 EDADMP C[C@H]1C[N@@H+](CCCF)CC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942209325 702715170 /nfs/dbraw/zinc/71/51/70/702715170.db2.gz VPNNNUSZHXPPIP-GXTWGEPZSA-N 2 1 326.416 1.536 20 0 EDADMP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)n1 ZINC000996477784 702809717 /nfs/dbraw/zinc/80/97/17/702809717.db2.gz OSKVNNLTAZNAGK-YJBOKZPZSA-N 2 1 345.491 1.375 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518230 702853845 /nfs/dbraw/zinc/85/38/45/702853845.db2.gz INVWPJGBFSYSRF-NVXWUHKLSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)nn1C ZINC000996519019 702854458 /nfs/dbraw/zinc/85/44/58/702854458.db2.gz MGGIHZOTKRJKBK-WBVHZDCISA-N 2 1 347.507 1.397 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)co1 ZINC000996521453 702857058 /nfs/dbraw/zinc/85/70/58/702857058.db2.gz SFDWGQXORIXJLX-HNNXBMFYSA-N 2 1 332.448 1.405 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)C1 ZINC000996522333 702858277 /nfs/dbraw/zinc/85/82/77/702858277.db2.gz YQOPQOXDUVNCFF-RHSMWYFYSA-N 2 1 348.466 1.889 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996607536 702910581 /nfs/dbraw/zinc/91/05/81/702910581.db2.gz CJEGAWRGSOQJKL-HOCLYGCPSA-N 2 1 346.475 1.369 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCCO2)C(C)(C)C1 ZINC000996613133 702917897 /nfs/dbraw/zinc/91/78/97/702917897.db2.gz UFNMQIIMLYAWAZ-IAGOWNOFSA-N 2 1 348.491 1.977 20 0 EDADMP CC1(C)CC(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000996618344 702924737 /nfs/dbraw/zinc/92/47/37/702924737.db2.gz FLFWVMOXAMRKJI-MSOLQXFVSA-N 2 1 349.519 1.866 20 0 EDADMP CC1(C)CC(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000996618358 702925131 /nfs/dbraw/zinc/92/51/31/702925131.db2.gz FLFWVMOXAMRKJI-ZWKOTPCHSA-N 2 1 349.519 1.866 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996688291 702985775 /nfs/dbraw/zinc/98/57/75/702985775.db2.gz HSPQESCVDIRWIX-HNNXBMFYSA-N 2 1 335.452 1.333 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996720204 703013983 /nfs/dbraw/zinc/01/39/83/703013983.db2.gz RXMLDWYJJSJEMB-DLBZAZTESA-N 2 1 343.475 1.574 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000996720737 703014356 /nfs/dbraw/zinc/01/43/56/703014356.db2.gz FHKFLOHAQIQAFQ-YJBOKZPZSA-N 2 1 345.491 1.911 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996721019 703016338 /nfs/dbraw/zinc/01/63/38/703016338.db2.gz WJQOQSREHWESQF-IRXDYDNUSA-N 2 1 332.448 1.772 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2oc(C)nc2C)C[C@H]1C ZINC000942518443 703018635 /nfs/dbraw/zinc/01/86/35/703018635.db2.gz RPJGMBICYLSCPL-WBMJQRKESA-N 2 1 345.447 1.823 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2oc(C)nc2C)C[C@H]1C ZINC000942518443 703018636 /nfs/dbraw/zinc/01/86/36/703018636.db2.gz RPJGMBICYLSCPL-WBMJQRKESA-N 2 1 345.447 1.823 20 0 EDADMP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CN(C)CCO2)c1 ZINC001032331382 703108165 /nfs/dbraw/zinc/10/81/65/703108165.db2.gz BFLRARYPPTWTEB-GBESFXJTSA-N 2 1 343.471 1.419 20 0 EDADMP Cc1cc(C)cc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CN(C)CCO2)c1 ZINC001032331382 703108167 /nfs/dbraw/zinc/10/81/67/703108167.db2.gz BFLRARYPPTWTEB-GBESFXJTSA-N 2 1 343.471 1.419 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccn(C)n2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596696 703111316 /nfs/dbraw/zinc/11/13/16/703111316.db2.gz DVDWSIJTJJEGDP-WMLDXEAASA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596696 703111319 /nfs/dbraw/zinc/11/13/19/703111319.db2.gz DVDWSIJTJJEGDP-WMLDXEAASA-N 2 1 333.480 1.089 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3cn(C)nn3)CC2)C1 ZINC000996902267 703176781 /nfs/dbraw/zinc/17/67/81/703176781.db2.gz DYJRPHGCANEHFQ-OAHLLOKOSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3nc(C)no3)CC2)C1 ZINC000996903986 703178378 /nfs/dbraw/zinc/17/83/78/703178378.db2.gz LOACGAQEEFGRPF-OAHLLOKOSA-N 2 1 349.479 1.581 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3nc(C)no3)CC2)C1 ZINC000996903986 703178380 /nfs/dbraw/zinc/17/83/80/703178380.db2.gz LOACGAQEEFGRPF-OAHLLOKOSA-N 2 1 349.479 1.581 20 0 EDADMP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)n1 ZINC000996922137 703193072 /nfs/dbraw/zinc/19/30/72/703193072.db2.gz MRFIZSQKZDLNHJ-HOTGVXAUSA-N 2 1 347.507 1.714 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCN(Cc2nccn2C)CC1 ZINC000996977121 703241840 /nfs/dbraw/zinc/24/18/40/703241840.db2.gz GWRJCKASZHIKKT-GDBMZVCRSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC000996977121 703241845 /nfs/dbraw/zinc/24/18/45/703241845.db2.gz GWRJCKASZHIKKT-GDBMZVCRSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)cn1 ZINC000996997739 703254638 /nfs/dbraw/zinc/25/46/38/703254638.db2.gz GFDCBIQMDOMCBH-HZPDHXFCSA-N 2 1 345.491 1.911 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC000996998479 703255456 /nfs/dbraw/zinc/25/54/56/703255456.db2.gz KARKPYROXCZTSU-STQMWFEESA-N 2 1 335.452 1.504 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)[nH]1 ZINC000996996945 703260626 /nfs/dbraw/zinc/26/06/26/703260626.db2.gz CJNJFLMUUPZXAD-STQMWFEESA-N 2 1 334.468 1.239 20 0 EDADMP CCn1cc(CC[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC000997005071 703262505 /nfs/dbraw/zinc/26/25/05/703262505.db2.gz CEBGISRBNPWQQD-YJBOKZPZSA-N 2 1 347.507 1.224 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)nn1C ZINC000997007064 703264384 /nfs/dbraw/zinc/26/43/84/703264384.db2.gz OHFRPPCQYAWZAT-UHFFFAOYSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1ccncc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997008369 703266213 /nfs/dbraw/zinc/26/62/13/703266213.db2.gz LSDWKWMPJWJYJE-YJBOKZPZSA-N 2 1 330.476 1.668 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)c(C)o1 ZINC000997008677 703266721 /nfs/dbraw/zinc/26/67/21/703266721.db2.gz WCOCBSXHMUHQPY-ZDUSSCGKSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)c(C)n1 ZINC000997012934 703272621 /nfs/dbraw/zinc/27/26/21/703272621.db2.gz YQEJJKSUFRYYKB-KUHUBIRLSA-N 2 1 344.503 1.977 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2ccon2)CC1 ZINC000997086043 703331619 /nfs/dbraw/zinc/33/16/19/703331619.db2.gz RYYPKQBDOFMKGM-RDTXWAMCSA-N 2 1 346.475 1.733 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CC[NH+](CCOC)CC2)CC[N@H+]1C ZINC000997093545 703340779 /nfs/dbraw/zinc/34/07/79/703340779.db2.gz JTPFAEBCAZROHC-HYVNUMGLSA-N 2 1 325.497 1.580 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000997093739 703341196 /nfs/dbraw/zinc/34/11/96/703341196.db2.gz MZSXZCDRDSOJLE-UHFFFAOYSA-N 2 1 349.450 1.629 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H](C)C2CC[NH+](CCCO)CC2)C1 ZINC000997131852 703391153 /nfs/dbraw/zinc/39/11/53/703391153.db2.gz IOKMDJWAEJGQOE-SJLPKXTDSA-N 2 1 339.524 1.563 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cccnc2C)CC[N@H+]1C ZINC001032412258 703461365 /nfs/dbraw/zinc/46/13/65/703461365.db2.gz PLFVRIRPMUCJML-CADBVGFASA-N 2 1 342.487 1.905 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccnc2C)CC[N@@H+]1C ZINC001032412258 703461366 /nfs/dbraw/zinc/46/13/66/703461366.db2.gz PLFVRIRPMUCJML-CADBVGFASA-N 2 1 342.487 1.905 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccnc2C)CC[N@H+]1C ZINC001032412258 703461368 /nfs/dbraw/zinc/46/13/68/703461368.db2.gz PLFVRIRPMUCJML-CADBVGFASA-N 2 1 342.487 1.905 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccnc2C)CC[NH+]1C ZINC001032412258 703461370 /nfs/dbraw/zinc/46/13/70/703461370.db2.gz PLFVRIRPMUCJML-CADBVGFASA-N 2 1 342.487 1.905 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccnc2C)CC[NH+]1C ZINC001032412258 703461371 /nfs/dbraw/zinc/46/13/71/703461371.db2.gz PLFVRIRPMUCJML-CADBVGFASA-N 2 1 342.487 1.905 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997179197 703463222 /nfs/dbraw/zinc/46/32/22/703463222.db2.gz HEXGTOJPQKJECW-ZIAGYGMSSA-N 2 1 349.479 1.615 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997179197 703463223 /nfs/dbraw/zinc/46/32/23/703463223.db2.gz HEXGTOJPQKJECW-ZIAGYGMSSA-N 2 1 349.479 1.615 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997301803 703544881 /nfs/dbraw/zinc/54/48/81/703544881.db2.gz GVJZPXGIEXKVTO-LSDHHAIUSA-N 2 1 331.464 1.378 20 0 EDADMP CC(C)Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997297905 703556206 /nfs/dbraw/zinc/55/62/06/703556206.db2.gz HCDQGMBHTRIRAW-CQSZACIVSA-N 2 1 349.479 1.300 20 0 EDADMP CC(C)Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997297905 703556208 /nfs/dbraw/zinc/55/62/08/703556208.db2.gz HCDQGMBHTRIRAW-CQSZACIVSA-N 2 1 349.479 1.300 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccncc3Cl)CC2)C1 ZINC000997298342 703556324 /nfs/dbraw/zinc/55/63/24/703556324.db2.gz IOZWCFPGMPRDRL-CQSZACIVSA-N 2 1 336.867 1.767 20 0 EDADMP COCc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000997298588 703556410 /nfs/dbraw/zinc/55/64/10/703556410.db2.gz KDDVSHZYFYODIR-GOSISDBHSA-N 2 1 345.487 1.865 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(Cl)n3)CC2)C1 ZINC000997299493 703556967 /nfs/dbraw/zinc/55/69/67/703556967.db2.gz OHWKPRIBIOXODP-CYBMUJFWSA-N 2 1 336.867 1.767 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000997299956 703557162 /nfs/dbraw/zinc/55/71/62/703557162.db2.gz SMEWNVDSVYPQIO-INIZCTEOSA-N 2 1 331.460 1.728 20 0 EDADMP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997304015 703563658 /nfs/dbraw/zinc/56/36/58/703563658.db2.gz QJWMSNMCIUAQOE-MRXNPFEDSA-N 2 1 333.480 1.032 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)s1 ZINC000997311215 703567806 /nfs/dbraw/zinc/56/78/06/703567806.db2.gz YMAAPWFMHYWZFQ-UHFFFAOYSA-N 2 1 333.461 1.737 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000997359207 703589801 /nfs/dbraw/zinc/58/98/01/703589801.db2.gz GTZYCFUBUHFFQH-BETUJISGSA-N 2 1 337.493 1.492 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc(C)no2)CC1 ZINC000997364422 703597754 /nfs/dbraw/zinc/59/77/54/703597754.db2.gz MUOGBOCCTOPYFP-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997366596 703600432 /nfs/dbraw/zinc/60/04/32/703600432.db2.gz HGTDZAXKTVXCMX-QGZVFWFLSA-N 2 1 333.480 1.338 20 0 EDADMP Cc1noc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)n1 ZINC000997368226 703605084 /nfs/dbraw/zinc/60/50/84/703605084.db2.gz CYOXFMCFDXGOGF-KRWDZBQOSA-N 2 1 349.479 1.579 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccccc1)[NH+](C)C ZINC001032459758 703639668 /nfs/dbraw/zinc/63/96/68/703639668.db2.gz LYDPVFCJYIPNDY-LNLFQRSKSA-N 2 1 345.487 1.937 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1)[NH+](C)C ZINC001032459758 703639669 /nfs/dbraw/zinc/63/96/69/703639669.db2.gz LYDPVFCJYIPNDY-LNLFQRSKSA-N 2 1 345.487 1.937 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)Cc1ccccc1)[NH+](C)C ZINC001032475209 703695422 /nfs/dbraw/zinc/69/54/22/703695422.db2.gz WWXCDFFXGNQZTF-INDMIFKZSA-N 2 1 345.487 1.215 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)Cc1ccccc1)[NH+](C)C ZINC001032475209 703695423 /nfs/dbraw/zinc/69/54/23/703695423.db2.gz WWXCDFFXGNQZTF-INDMIFKZSA-N 2 1 345.487 1.215 20 0 EDADMP CC[C@@H](CN1CC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1)OC ZINC001042901146 703736976 /nfs/dbraw/zinc/73/69/76/703736976.db2.gz XYAYDAPUZCJMRG-RDJZCZTQSA-N 2 1 325.497 1.532 20 0 EDADMP CC[C@@H](C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1)OC ZINC001042901146 703736978 /nfs/dbraw/zinc/73/69/78/703736978.db2.gz XYAYDAPUZCJMRG-RDJZCZTQSA-N 2 1 325.497 1.532 20 0 EDADMP CC[C@@H](C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1)OC ZINC001042901146 703736980 /nfs/dbraw/zinc/73/69/80/703736980.db2.gz XYAYDAPUZCJMRG-RDJZCZTQSA-N 2 1 325.497 1.532 20 0 EDADMP Cn1nc2c(c1C[NH2+]Cc1ccccc1OCC[NH+](C)C)COCC2 ZINC000921622089 703740149 /nfs/dbraw/zinc/74/01/49/703740149.db2.gz CDNVSABGXFQERB-UHFFFAOYSA-N 2 1 344.459 1.723 20 0 EDADMP CC(C)n1ncnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997608329 703905159 /nfs/dbraw/zinc/90/51/59/703905159.db2.gz VAVVDMBCPQUWJJ-INIZCTEOSA-N 2 1 348.495 1.281 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCCc2[nH+]ccn21)C1CC[NH+](CCCO)CC1 ZINC000997618126 703917168 /nfs/dbraw/zinc/91/71/68/703917168.db2.gz NDJUZZUPFYWKID-GOEBONIOSA-N 2 1 334.464 1.360 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995549246 703932402 /nfs/dbraw/zinc/93/24/02/703932402.db2.gz BRONXQMAPMVYNK-GJZGRUSLSA-N 2 1 333.480 1.324 20 0 EDADMP CCn1c(C)nnc1CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995554395 703968842 /nfs/dbraw/zinc/96/88/42/703968842.db2.gz WTTIMDQSAZAZMV-HUUCEWRRSA-N 2 1 348.495 1.027 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995554395 703968845 /nfs/dbraw/zinc/96/88/45/703968845.db2.gz WTTIMDQSAZAZMV-HUUCEWRRSA-N 2 1 348.495 1.027 20 0 EDADMP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033082678 704139867 /nfs/dbraw/zinc/13/98/67/704139867.db2.gz UHFKRZWRUHPFCJ-FUHWJXTLSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033082678 704139870 /nfs/dbraw/zinc/13/98/70/704139870.db2.gz UHFKRZWRUHPFCJ-FUHWJXTLSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033082678 704139873 /nfs/dbraw/zinc/13/98/73/704139873.db2.gz UHFKRZWRUHPFCJ-FUHWJXTLSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001033083171 704140695 /nfs/dbraw/zinc/14/06/95/704140695.db2.gz VZXXSKMWMPLWEO-RDJZCZTQSA-N 2 1 348.516 1.826 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001033083171 704140698 /nfs/dbraw/zinc/14/06/98/704140698.db2.gz VZXXSKMWMPLWEO-RDJZCZTQSA-N 2 1 348.516 1.826 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033079932 704143979 /nfs/dbraw/zinc/14/39/79/704143979.db2.gz AJXJQJDVFYNHHT-NVXWUHKLSA-N 2 1 332.448 1.358 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033079932 704143980 /nfs/dbraw/zinc/14/39/80/704143980.db2.gz AJXJQJDVFYNHHT-NVXWUHKLSA-N 2 1 332.448 1.358 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033096149 704183637 /nfs/dbraw/zinc/18/36/37/704183637.db2.gz JQSRYRCWMYJOOV-XYJFISCASA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033096149 704183638 /nfs/dbraw/zinc/18/36/38/704183638.db2.gz JQSRYRCWMYJOOV-XYJFISCASA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033096149 704183639 /nfs/dbraw/zinc/18/36/39/704183639.db2.gz JQSRYRCWMYJOOV-XYJFISCASA-N 2 1 348.491 2.000 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033096149 704183640 /nfs/dbraw/zinc/18/36/40/704183640.db2.gz JQSRYRCWMYJOOV-XYJFISCASA-N 2 1 348.491 2.000 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999301869 706805417 /nfs/dbraw/zinc/80/54/17/706805417.db2.gz DGVAFFJKMZSYNW-QZTJIDSGSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000999307421 706807615 /nfs/dbraw/zinc/80/76/15/706807615.db2.gz OFBAMEKGZIVDCC-WBVHZDCISA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000999307421 706807618 /nfs/dbraw/zinc/80/76/18/706807618.db2.gz OFBAMEKGZIVDCC-WBVHZDCISA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC000999306576 706811446 /nfs/dbraw/zinc/81/14/46/706811446.db2.gz JRAJNPZCCONLKN-SJORKVTESA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC000999306576 706811447 /nfs/dbraw/zinc/81/14/47/706811447.db2.gz JRAJNPZCCONLKN-SJORKVTESA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2CC)C1 ZINC000999306579 706811701 /nfs/dbraw/zinc/81/17/01/706811701.db2.gz JROSQYICMSBWNS-CVEARBPZSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2CC)C1 ZINC000999306579 706811703 /nfs/dbraw/zinc/81/17/03/706811703.db2.gz JROSQYICMSBWNS-CVEARBPZSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC000999309645 706812511 /nfs/dbraw/zinc/81/25/11/706812511.db2.gz VJMCYFRDJBQABV-FUHWJXTLSA-N 2 1 347.507 1.418 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1)[NH+](C)C ZINC001004463554 704451418 /nfs/dbraw/zinc/45/14/18/704451418.db2.gz LRMGNFGFCJBVQC-IRXDYDNUSA-N 2 1 325.497 1.268 20 0 EDADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000997708610 704601863 /nfs/dbraw/zinc/60/18/63/704601863.db2.gz UQTHKDKBCDPERE-LZLYRXPVSA-N 2 1 337.508 1.724 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cn(C)nn2)CC1 ZINC000997821633 704741670 /nfs/dbraw/zinc/74/16/70/704741670.db2.gz NTFSMIVGBGVYJV-KRWDZBQOSA-N 2 1 348.495 1.018 20 0 EDADMP C[NH+](C)C1(C(=O)N2CCC(C[NH2+]Cc3cnsn3)CC2)CCC1 ZINC000997822279 704741846 /nfs/dbraw/zinc/74/18/46/704741846.db2.gz ACPJGCGBPOACNX-UHFFFAOYSA-N 2 1 337.493 1.351 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000997829526 704748062 /nfs/dbraw/zinc/74/80/62/704748062.db2.gz AJBUVSSQYQAGFF-CYBMUJFWSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1conc1C[NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000997831014 704751252 /nfs/dbraw/zinc/75/12/52/704751252.db2.gz OJPPNQZSJRXYEE-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997864374 704771015 /nfs/dbraw/zinc/77/10/15/704771015.db2.gz GHFQNQDOUXSEBZ-KRWDZBQOSA-N 2 1 347.507 1.716 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000997860920 704771840 /nfs/dbraw/zinc/77/18/40/704771840.db2.gz OCXCYTCEEVPJDS-RDJZCZTQSA-N 2 1 330.476 1.750 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c(C)o1 ZINC000997867775 704773150 /nfs/dbraw/zinc/77/31/50/704773150.db2.gz RFRYGEXXOYAOAN-GUYCJALGSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c(C)o1 ZINC000997867775 704773151 /nfs/dbraw/zinc/77/31/51/704773151.db2.gz RFRYGEXXOYAOAN-GUYCJALGSA-N 2 1 348.491 1.960 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000997950261 705076909 /nfs/dbraw/zinc/07/69/09/705076909.db2.gz RDQVUXBEGRMARC-ROUUACIJSA-N 2 1 347.507 1.680 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000997950261 705076913 /nfs/dbraw/zinc/07/69/13/705076913.db2.gz RDQVUXBEGRMARC-ROUUACIJSA-N 2 1 347.507 1.680 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000997950261 705076917 /nfs/dbraw/zinc/07/69/17/705076917.db2.gz RDQVUXBEGRMARC-ROUUACIJSA-N 2 1 347.507 1.680 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@H]2CC(C)(C)CO2)CC[N@H+]1C ZINC001032587390 705111144 /nfs/dbraw/zinc/11/11/44/705111144.db2.gz WSTPTQZJEKQHMC-KFGODFMUSA-N 2 1 349.519 1.817 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CC(C)(C)CO2)CC[NH+]1C ZINC001032587390 705111146 /nfs/dbraw/zinc/11/11/46/705111146.db2.gz WSTPTQZJEKQHMC-KFGODFMUSA-N 2 1 349.519 1.817 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CC(C)(C)CO2)CC[NH+]1C ZINC001032587390 705111149 /nfs/dbraw/zinc/11/11/49/705111149.db2.gz WSTPTQZJEKQHMC-KFGODFMUSA-N 2 1 349.519 1.817 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccon3)CC2)CC[N@H+]1C ZINC000998004792 705167199 /nfs/dbraw/zinc/16/71/99/705167199.db2.gz PLRDAENLEZNVEZ-HOCLYGCPSA-N 2 1 334.464 1.733 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CCC[N@H+](CCF)CC1 ZINC000998045071 705240455 /nfs/dbraw/zinc/24/04/55/705240455.db2.gz ISOWWIFVLRUNNX-OWCLPIDISA-N 2 1 329.460 1.378 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CCC[N@@H+](CCF)CC1 ZINC000998045071 705240458 /nfs/dbraw/zinc/24/04/58/705240458.db2.gz ISOWWIFVLRUNNX-OWCLPIDISA-N 2 1 329.460 1.378 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CCC[NH+](CCF)CC1 ZINC000998045071 705240460 /nfs/dbraw/zinc/24/04/60/705240460.db2.gz ISOWWIFVLRUNNX-OWCLPIDISA-N 2 1 329.460 1.378 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CCC[NH+](CCF)CC1 ZINC000998045071 705240461 /nfs/dbraw/zinc/24/04/61/705240461.db2.gz ISOWWIFVLRUNNX-OWCLPIDISA-N 2 1 329.460 1.378 20 0 EDADMP CCN(C(=O)c1cc2c[nH]ccc-2n1)[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000998048510 705246210 /nfs/dbraw/zinc/24/62/10/705246210.db2.gz WASYGKNAVFQMHJ-CQSZACIVSA-N 2 1 343.431 1.365 20 0 EDADMP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998077306 705297805 /nfs/dbraw/zinc/29/78/05/705297805.db2.gz DGBZJGQBEQFHGD-XJKSGUPXSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1nocc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000998081574 705302422 /nfs/dbraw/zinc/30/24/22/705302422.db2.gz JVGFVBLSWUYWOY-AWEZNQCLSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001032611272 705581980 /nfs/dbraw/zinc/58/19/80/705581980.db2.gz GBIPRCQSLSMRCF-OKZBNKHCSA-N 2 1 347.507 1.371 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CCC(C[NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000998270674 705649121 /nfs/dbraw/zinc/64/91/21/705649121.db2.gz XSAUKDRILCJVEW-UHFFFAOYSA-N 2 1 347.463 1.371 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2cn(C)nn2)CC1 ZINC000998287552 705686147 /nfs/dbraw/zinc/68/61/47/705686147.db2.gz OLBWMZJBPVWBLL-GASCZTMLSA-N 2 1 348.495 1.016 20 0 EDADMP CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000998308270 705721370 /nfs/dbraw/zinc/72/13/70/705721370.db2.gz ZBYQVODUJRWOKA-STQMWFEESA-N 2 1 337.386 1.098 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)n1C1CC1 ZINC000998547832 705980424 /nfs/dbraw/zinc/98/04/24/705980424.db2.gz AXKFOYDRESUHLQ-BCLQGDPASA-N 2 1 346.479 1.095 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000998547998 705983153 /nfs/dbraw/zinc/98/31/53/705983153.db2.gz FEXACFFMTQEFPM-AVVWSFFYSA-N 2 1 348.495 1.206 20 0 EDADMP Cc1ncsc1CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998548291 705983243 /nfs/dbraw/zinc/98/32/43/705983243.db2.gz FZURRRJSXPXLFX-YMAMQOFZSA-N 2 1 336.505 1.667 20 0 EDADMP CCOc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000998548926 705984692 /nfs/dbraw/zinc/98/46/92/705984692.db2.gz IQAZQRWMKJRWOD-JCYILVPMSA-N 2 1 346.475 1.654 20 0 EDADMP CC(C)Cn1ncnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998550403 705986558 /nfs/dbraw/zinc/98/65/58/705986558.db2.gz LZGSNKOKMKCZEC-GPANFISMSA-N 2 1 348.495 1.107 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998550754 705987570 /nfs/dbraw/zinc/98/75/70/705987570.db2.gz PFNUQXDPVYAWKE-XUJLQICISA-N 2 1 334.464 1.719 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]CC2CCCCCC2)C1 ZINC000998585686 706019887 /nfs/dbraw/zinc/01/98/87/706019887.db2.gz MGAILZNLVUNMJB-ABHNRTSZSA-N 2 1 337.508 1.866 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CC2CCCCCC2)C1 ZINC000998585686 706019891 /nfs/dbraw/zinc/01/98/91/706019891.db2.gz MGAILZNLVUNMJB-ABHNRTSZSA-N 2 1 337.508 1.866 20 0 EDADMP Cn1c(Cl)cnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998722033 706153703 /nfs/dbraw/zinc/15/37/03/706153703.db2.gz NSGBWTKHQYZYIT-CHWSQXEVSA-N 2 1 339.871 1.248 20 0 EDADMP CCc1onc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998731337 706164061 /nfs/dbraw/zinc/16/40/61/706164061.db2.gz NZTHUFPKUSLLAA-HOCLYGCPSA-N 2 1 334.464 1.720 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]Cc2nncn2C)C1 ZINC000998900804 706337423 /nfs/dbraw/zinc/33/74/23/706337423.db2.gz HSJCKBNXJUMNPH-HWOWSKLDSA-N 2 1 348.495 1.157 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]Cc2ncccn2)C1 ZINC000998901221 706337780 /nfs/dbraw/zinc/33/77/80/706337780.db2.gz KXGCWNUXIAWZIC-AQFXKWCLSA-N 2 1 345.491 1.819 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]Cc2ncccn2)C1 ZINC000998901221 706337783 /nfs/dbraw/zinc/33/77/83/706337783.db2.gz KXGCWNUXIAWZIC-AQFXKWCLSA-N 2 1 345.491 1.819 20 0 EDADMP Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000998996300 706413829 /nfs/dbraw/zinc/41/38/29/706413829.db2.gz ZAOVBZUPONHZBJ-HTWSVDAQSA-N 2 1 330.476 1.953 20 0 EDADMP Cc1nocc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518149 706550887 /nfs/dbraw/zinc/55/08/87/706550887.db2.gz OQERZOIVNGLGGD-SOLBZPMBSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1nonc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518154 706574742 /nfs/dbraw/zinc/57/47/42/706574742.db2.gz OTWHORLMBQTIFU-UXLLHSPISA-N 2 1 347.463 1.143 20 0 EDADMP Cc1nonc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518154 706574745 /nfs/dbraw/zinc/57/47/45/706574745.db2.gz OTWHORLMBQTIFU-UXLLHSPISA-N 2 1 347.463 1.143 20 0 EDADMP Cc1nonc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518154 706574749 /nfs/dbraw/zinc/57/47/49/706574749.db2.gz OTWHORLMBQTIFU-UXLLHSPISA-N 2 1 347.463 1.143 20 0 EDADMP CC(C)n1cc(C[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC000999350532 706863222 /nfs/dbraw/zinc/86/32/22/706863222.db2.gz YHDQTGFTVNBWPD-OAHLLOKOSA-N 2 1 348.495 1.424 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999351244 706864221 /nfs/dbraw/zinc/86/42/21/706864221.db2.gz DRPCUAXCWZRIAD-CVEARBPZSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999351244 706864222 /nfs/dbraw/zinc/86/42/22/706864222.db2.gz DRPCUAXCWZRIAD-CVEARBPZSA-N 2 1 349.479 1.722 20 0 EDADMP CC(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000999352024 706865050 /nfs/dbraw/zinc/86/50/50/706865050.db2.gz HUYKRYRKLMAKMG-FUHWJXTLSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)oc1C ZINC000999372105 706886411 /nfs/dbraw/zinc/88/64/11/706886411.db2.gz OEIQOSBBBAAXNJ-NVXWUHKLSA-N 2 1 334.464 1.712 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000999401897 706909816 /nfs/dbraw/zinc/90/98/16/706909816.db2.gz QRJSREBFEDDIIJ-IRXDYDNUSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000999401897 706909820 /nfs/dbraw/zinc/90/98/20/706909820.db2.gz QRJSREBFEDDIIJ-IRXDYDNUSA-N 2 1 345.491 1.740 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999406624 706916182 /nfs/dbraw/zinc/91/61/82/706916182.db2.gz OQFZEWALANXXGB-MNNVXMFVSA-N 2 1 345.487 1.742 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]CC3CC(F)(F)C3)C2)C1 ZINC000999409134 706918881 /nfs/dbraw/zinc/91/88/81/706918881.db2.gz ORVMEQOJOHKLOP-LRVUVFPRSA-N 2 1 329.435 1.953 20 0 EDADMP CC(C)n1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000999506341 707004054 /nfs/dbraw/zinc/00/40/54/707004054.db2.gz ABGLDLPTCPFZSA-NVXWUHKLSA-N 2 1 348.495 1.424 20 0 EDADMP CC(C)n1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC000999506341 707004055 /nfs/dbraw/zinc/00/40/55/707004055.db2.gz ABGLDLPTCPFZSA-NVXWUHKLSA-N 2 1 348.495 1.424 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nnc3n2CCCC3)C1)[NH+](C)C ZINC000999491385 707027858 /nfs/dbraw/zinc/02/78/58/707027858.db2.gz UQFNTVYVOIQZDH-HUUCEWRRSA-N 2 1 348.495 1.035 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999496004 707033035 /nfs/dbraw/zinc/03/30/35/707033035.db2.gz NIEJMOXOIAKPLY-FHLIZLRMSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999496004 707033036 /nfs/dbraw/zinc/03/30/36/707033036.db2.gz NIEJMOXOIAKPLY-FHLIZLRMSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000999599226 707101535 /nfs/dbraw/zinc/10/15/35/707101535.db2.gz SCHOZGCPMOXHEV-UHFFFAOYSA-N 2 1 335.452 1.189 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)c1nncn1C ZINC000999599233 707101974 /nfs/dbraw/zinc/10/19/74/707101974.db2.gz XQRZLLCEOBEIQS-HUUCEWRRSA-N 2 1 346.479 1.085 20 0 EDADMP CN(C(=O)C1CC[NH+](CC2CC2)CC1)C1CC([NH2+]Cc2ccon2)C1 ZINC000999671518 707202761 /nfs/dbraw/zinc/20/27/61/707202761.db2.gz JKTFCIPUXJGJQV-UHFFFAOYSA-N 2 1 346.475 1.876 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000999708847 707301095 /nfs/dbraw/zinc/30/10/95/707301095.db2.gz OWGGDIZVZSXNFU-UHFFFAOYSA-N 2 1 347.463 1.368 20 0 EDADMP CO[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1)C1CCC1 ZINC001033267773 707306021 /nfs/dbraw/zinc/30/60/21/707306021.db2.gz VUMMXSZHMYOCDU-IAGOWNOFSA-N 2 1 334.464 1.539 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1)C1CCC1 ZINC001033267773 707306023 /nfs/dbraw/zinc/30/60/23/707306023.db2.gz VUMMXSZHMYOCDU-IAGOWNOFSA-N 2 1 334.464 1.539 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033279712 707348042 /nfs/dbraw/zinc/34/80/42/707348042.db2.gz WOGPIEXXGJISSS-AGYKMIKPSA-N 2 1 347.503 1.573 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001033279712 707348047 /nfs/dbraw/zinc/34/80/47/707348047.db2.gz WOGPIEXXGJISSS-AGYKMIKPSA-N 2 1 347.503 1.573 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001033279712 707348050 /nfs/dbraw/zinc/34/80/50/707348050.db2.gz WOGPIEXXGJISSS-AGYKMIKPSA-N 2 1 347.503 1.573 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033196599 707411396 /nfs/dbraw/zinc/41/13/96/707411396.db2.gz DETCYCCDMNTWAA-ZBFHGGJFSA-N 2 1 336.505 1.703 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC001033196599 707411400 /nfs/dbraw/zinc/41/14/00/707411400.db2.gz DETCYCCDMNTWAA-ZBFHGGJFSA-N 2 1 336.505 1.703 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC001033196599 707411403 /nfs/dbraw/zinc/41/14/03/707411403.db2.gz DETCYCCDMNTWAA-ZBFHGGJFSA-N 2 1 336.505 1.703 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)sn1 ZINC000999836929 707472987 /nfs/dbraw/zinc/47/29/87/707472987.db2.gz MFENHZAXACZPGM-PNESKVBLSA-N 2 1 338.477 1.182 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnns2)C1 ZINC000999876167 707523377 /nfs/dbraw/zinc/52/33/77/707523377.db2.gz HOEASRWZSASJFX-SSDMNJCBSA-N 2 1 337.493 1.492 20 0 EDADMP C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004882004 707530098 /nfs/dbraw/zinc/53/00/98/707530098.db2.gz ZASBMBKXLUOCSO-PBHICJAKSA-N 2 1 348.495 1.159 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccon3)C2)C1 ZINC000999973985 707586602 /nfs/dbraw/zinc/58/66/02/707586602.db2.gz MQKDLMRFGUVBJY-WBVHZDCISA-N 2 1 334.464 1.877 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccon3)C2)C1 ZINC000999973985 707586605 /nfs/dbraw/zinc/58/66/05/707586605.db2.gz MQKDLMRFGUVBJY-WBVHZDCISA-N 2 1 334.464 1.877 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncccn3)C2)C1 ZINC000999976579 707590253 /nfs/dbraw/zinc/59/02/53/707590253.db2.gz WVDVLTCRTWAEBN-IRXDYDNUSA-N 2 1 345.491 1.679 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncccn3)C2)C1 ZINC000999976579 707590257 /nfs/dbraw/zinc/59/02/57/707590257.db2.gz WVDVLTCRTWAEBN-IRXDYDNUSA-N 2 1 345.491 1.679 20 0 EDADMP CC[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](CC2CC2)CC1)OC ZINC001032725595 707713054 /nfs/dbraw/zinc/71/30/54/707713054.db2.gz WGGMZDPDIJWCQB-GBESFXJTSA-N 2 1 349.519 1.819 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033392075 707725275 /nfs/dbraw/zinc/72/52/75/707725275.db2.gz YLIKNPNJTTVBMH-MRXNPFEDSA-N 2 1 348.491 1.920 20 0 EDADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033397640 707738064 /nfs/dbraw/zinc/73/80/64/707738064.db2.gz ULUWMLKJFACACL-CABCVRRESA-N 2 1 345.434 1.285 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033220902 707792289 /nfs/dbraw/zinc/79/22/89/707792289.db2.gz CSGMKOFYNFBLBG-QZTJIDSGSA-N 2 1 347.507 1.536 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033220902 707792290 /nfs/dbraw/zinc/79/22/90/707792290.db2.gz CSGMKOFYNFBLBG-QZTJIDSGSA-N 2 1 347.507 1.536 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033220902 707792291 /nfs/dbraw/zinc/79/22/91/707792291.db2.gz CSGMKOFYNFBLBG-QZTJIDSGSA-N 2 1 347.507 1.536 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)o1 ZINC001033425326 707844125 /nfs/dbraw/zinc/84/41/25/707844125.db2.gz WFZHNASTYBXVCH-BBRMVZONSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)o1 ZINC001033425326 707844128 /nfs/dbraw/zinc/84/41/28/707844128.db2.gz WFZHNASTYBXVCH-BBRMVZONSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)o1 ZINC001033425326 707844132 /nfs/dbraw/zinc/84/41/32/707844132.db2.gz WFZHNASTYBXVCH-BBRMVZONSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)o1 ZINC001033425326 707844136 /nfs/dbraw/zinc/84/41/36/707844136.db2.gz WFZHNASTYBXVCH-BBRMVZONSA-N 2 1 334.464 1.808 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033225964 707863138 /nfs/dbraw/zinc/86/31/38/707863138.db2.gz MTWFHBJFZRDDOY-KRWDZBQOSA-N 2 1 345.491 1.124 20 0 EDADMP CC(C)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CC2)CC1 ZINC001000213933 707876260 /nfs/dbraw/zinc/87/62/60/707876260.db2.gz KXUDXEVFBYLFSV-URSIVYNOSA-N 2 1 347.503 1.619 20 0 EDADMP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033230368 707891042 /nfs/dbraw/zinc/89/10/42/707891042.db2.gz MVQOHHNIJIRTNH-MRXNPFEDSA-N 2 1 338.415 1.377 20 0 EDADMP Cc1conc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001005009388 707926111 /nfs/dbraw/zinc/92/61/11/707926111.db2.gz MIVPFCRCKRBCHI-HOCLYGCPSA-N 2 1 331.420 1.739 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nc4ccccc4o3)C2)C1 ZINC001000921105 708076882 /nfs/dbraw/zinc/07/68/82/708076882.db2.gz WSJJQAAQSJCOQF-CABCVRRESA-N 2 1 342.443 1.860 20 0 EDADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCCCO1 ZINC001032801062 708082196 /nfs/dbraw/zinc/08/21/96/708082196.db2.gz IRTCELREIWQMOI-OKZBNKHCSA-N 2 1 335.492 1.717 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582953 708266884 /nfs/dbraw/zinc/26/68/84/708266884.db2.gz RTBAMMYVXIQLHB-HZPDHXFCSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033582953 708266886 /nfs/dbraw/zinc/26/68/86/708266886.db2.gz RTBAMMYVXIQLHB-HZPDHXFCSA-N 2 1 334.464 1.666 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033582953 708266890 /nfs/dbraw/zinc/26/68/90/708266890.db2.gz RTBAMMYVXIQLHB-HZPDHXFCSA-N 2 1 334.464 1.666 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033571405 708274543 /nfs/dbraw/zinc/27/45/43/708274543.db2.gz NVOGOSSFEHWFQY-CRAIPNDOSA-N 2 1 337.508 1.676 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001033592446 708291141 /nfs/dbraw/zinc/29/11/41/708291141.db2.gz HAZSPJSYFCKPPW-KRWDZBQOSA-N 2 1 331.435 1.954 20 0 EDADMP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001033594494 708296083 /nfs/dbraw/zinc/29/60/83/708296083.db2.gz QMUNZGQRIQFKOI-HZPDHXFCSA-N 2 1 343.475 1.475 20 0 EDADMP Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001033594494 708296086 /nfs/dbraw/zinc/29/60/86/708296086.db2.gz QMUNZGQRIQFKOI-HZPDHXFCSA-N 2 1 343.475 1.475 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033585002 708311956 /nfs/dbraw/zinc/31/19/56/708311956.db2.gz DHPCPKNMKATBKS-HUUCEWRRSA-N 2 1 332.448 1.330 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033585002 708311960 /nfs/dbraw/zinc/31/19/60/708311960.db2.gz DHPCPKNMKATBKS-HUUCEWRRSA-N 2 1 332.448 1.330 20 0 EDADMP Cc1ccnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001001835005 708361675 /nfs/dbraw/zinc/36/16/75/708361675.db2.gz UJTJMVDFURHPTI-PBHICJAKSA-N 2 1 345.491 1.311 20 0 EDADMP Cc1ccnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001001835005 708361678 /nfs/dbraw/zinc/36/16/78/708361678.db2.gz UJTJMVDFURHPTI-PBHICJAKSA-N 2 1 345.491 1.311 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001033664502 708446325 /nfs/dbraw/zinc/44/63/25/708446325.db2.gz HIUFMORGKGPSFK-QFBILLFUSA-N 2 1 343.471 1.701 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001033664502 708446327 /nfs/dbraw/zinc/44/63/27/708446327.db2.gz HIUFMORGKGPSFK-QFBILLFUSA-N 2 1 343.471 1.701 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001033664502 708446329 /nfs/dbraw/zinc/44/63/29/708446329.db2.gz HIUFMORGKGPSFK-QFBILLFUSA-N 2 1 343.471 1.701 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033671576 708462461 /nfs/dbraw/zinc/46/24/61/708462461.db2.gz IXFNRXDTDXQYCG-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033671576 708462464 /nfs/dbraw/zinc/46/24/64/708462464.db2.gz IXFNRXDTDXQYCG-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001033671576 708462466 /nfs/dbraw/zinc/46/24/66/708462466.db2.gz IXFNRXDTDXQYCG-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001033671576 708462469 /nfs/dbraw/zinc/46/24/69/708462469.db2.gz IXFNRXDTDXQYCG-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)c1ccccc1C[NH+](C)C)[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033686570 708500967 /nfs/dbraw/zinc/50/09/67/708500967.db2.gz QXAFCMCEVJVKRA-SJLPKXTDSA-N 2 1 345.487 1.931 20 0 EDADMP COc1ncccc1C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002121583 708635441 /nfs/dbraw/zinc/63/54/41/708635441.db2.gz RRCJFGXOYNOGAX-INIZCTEOSA-N 2 1 346.475 1.370 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033833124 708857314 /nfs/dbraw/zinc/85/73/14/708857314.db2.gz FOLMUUSPEIQFEM-BPQIPLTHSA-N 2 1 347.507 1.226 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033833124 708857319 /nfs/dbraw/zinc/85/73/19/708857319.db2.gz FOLMUUSPEIQFEM-BPQIPLTHSA-N 2 1 347.507 1.226 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033833124 708857323 /nfs/dbraw/zinc/85/73/23/708857323.db2.gz FOLMUUSPEIQFEM-BPQIPLTHSA-N 2 1 347.507 1.226 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCN(Cc2cnnn2CC)C1 ZINC001033926483 709055586 /nfs/dbraw/zinc/05/55/86/709055586.db2.gz CZYYUNANXGSEJF-WBVHZDCISA-N 2 1 348.495 1.205 20 0 EDADMP CCN(C(=O)[C@@H]1CCCCN1C)[C@@H]1CCN(Cc2cnnn2CC)C1 ZINC001033926483 709055589 /nfs/dbraw/zinc/05/55/89/709055589.db2.gz CZYYUNANXGSEJF-WBVHZDCISA-N 2 1 348.495 1.205 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033928489 709060394 /nfs/dbraw/zinc/06/03/94/709060394.db2.gz ZDXPVZNRVGKWIP-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033928489 709060398 /nfs/dbraw/zinc/06/03/98/709060398.db2.gz ZDXPVZNRVGKWIP-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033928489 709060401 /nfs/dbraw/zinc/06/04/01/709060401.db2.gz ZDXPVZNRVGKWIP-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CCc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002521246 709074450 /nfs/dbraw/zinc/07/44/50/709074450.db2.gz BUJXQFZYLMCZKC-LJQANCHMSA-N 2 1 345.487 1.660 20 0 EDADMP CCc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002521246 709074453 /nfs/dbraw/zinc/07/44/53/709074453.db2.gz BUJXQFZYLMCZKC-LJQANCHMSA-N 2 1 345.487 1.660 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+]([C@H]3CCc4ccccc43)CC2)C1 ZINC001002532012 709088996 /nfs/dbraw/zinc/08/89/96/709088996.db2.gz FHWUSKDSIZJZDD-RBUKOAKNSA-N 2 1 343.471 1.585 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+]([C@H]3CCc4ccccc43)CC2)C1 ZINC001002532012 709089001 /nfs/dbraw/zinc/08/90/01/709089001.db2.gz FHWUSKDSIZJZDD-RBUKOAKNSA-N 2 1 343.471 1.585 20 0 EDADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001034007146 709249155 /nfs/dbraw/zinc/24/91/55/709249155.db2.gz JBEYNXZKWYONQL-QGZVFWFLSA-N 2 1 325.497 1.412 20 0 EDADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001034046271 709299531 /nfs/dbraw/zinc/29/95/31/709299531.db2.gz RFGCVLULTBCDAY-SFHVURJKSA-N 2 1 333.476 1.667 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCCC3CCC3)C2)C1 ZINC001034148500 709419667 /nfs/dbraw/zinc/41/96/67/709419667.db2.gz LCDPLLXZTJSVDN-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCCC3CCC3)C2)C1 ZINC001034148500 709419670 /nfs/dbraw/zinc/41/96/70/709419670.db2.gz LCDPLLXZTJSVDN-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCCC3CCC3)C2)C1 ZINC001034148500 709419671 /nfs/dbraw/zinc/41/96/71/709419671.db2.gz LCDPLLXZTJSVDN-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCCC3CCC3)C2)C1 ZINC001034148500 709419674 /nfs/dbraw/zinc/41/96/74/709419674.db2.gz LCDPLLXZTJSVDN-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1nc([C@H](C)N2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n[nH]1 ZINC001002832127 709443129 /nfs/dbraw/zinc/44/31/29/709443129.db2.gz KCSAFEULKKEHTI-BLLLJJGKSA-N 2 1 346.479 1.097 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034205239 709528218 /nfs/dbraw/zinc/52/82/18/709528218.db2.gz UTOWNTNXBHZKDC-QZTJIDSGSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034205239 709528220 /nfs/dbraw/zinc/52/82/20/709528220.db2.gz UTOWNTNXBHZKDC-QZTJIDSGSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cnn(C)c2)C1 ZINC001034205239 709528222 /nfs/dbraw/zinc/52/82/22/709528222.db2.gz UTOWNTNXBHZKDC-QZTJIDSGSA-N 2 1 347.507 1.764 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001034205239 709528226 /nfs/dbraw/zinc/52/82/26/709528226.db2.gz UTOWNTNXBHZKDC-QZTJIDSGSA-N 2 1 347.507 1.764 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cnn(C)c3)C2)CC[N@H+]1C ZINC001034215183 709568566 /nfs/dbraw/zinc/56/85/66/709568566.db2.gz WZMOAUOZHXONPL-DJIMGWMZSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cnn(C)c3)C2)CC[NH+]1C ZINC001034215183 709568569 /nfs/dbraw/zinc/56/85/69/709568569.db2.gz WZMOAUOZHXONPL-DJIMGWMZSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cnn(C)c3)C2)CC[NH+]1C ZINC001034215183 709568573 /nfs/dbraw/zinc/56/85/73/709568573.db2.gz WZMOAUOZHXONPL-DJIMGWMZSA-N 2 1 333.480 1.231 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccnn3C)C2)CC[N@@H+]1C ZINC001034217747 709574161 /nfs/dbraw/zinc/57/41/61/709574161.db2.gz UWGMNOOZMKPRJD-RYQLBKOJSA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccnn3C)C2)CC[N@H+]1C ZINC001034217747 709574165 /nfs/dbraw/zinc/57/41/65/709574165.db2.gz UWGMNOOZMKPRJD-RYQLBKOJSA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccnn3C)C2)CC[NH+]1C ZINC001034217747 709574169 /nfs/dbraw/zinc/57/41/69/709574169.db2.gz UWGMNOOZMKPRJD-RYQLBKOJSA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccnn3C)C2)CC[NH+]1C ZINC001034217747 709574173 /nfs/dbraw/zinc/57/41/73/709574173.db2.gz UWGMNOOZMKPRJD-RYQLBKOJSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034228092 709582570 /nfs/dbraw/zinc/58/25/70/709582570.db2.gz AFGVCVGZYDABSS-ZFWWWQNUSA-N 2 1 339.505 1.775 20 0 EDADMP C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034228092 709582573 /nfs/dbraw/zinc/58/25/73/709582573.db2.gz AFGVCVGZYDABSS-ZFWWWQNUSA-N 2 1 339.505 1.775 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034239732 709622591 /nfs/dbraw/zinc/62/25/91/709622591.db2.gz LUQKZMCLFWJANO-ROUUACIJSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034239732 709622593 /nfs/dbraw/zinc/62/25/93/709622593.db2.gz LUQKZMCLFWJANO-ROUUACIJSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cnn(C)c2)C1 ZINC001034239732 709622595 /nfs/dbraw/zinc/62/25/95/709622595.db2.gz LUQKZMCLFWJANO-ROUUACIJSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001034239732 709622597 /nfs/dbraw/zinc/62/25/97/709622597.db2.gz LUQKZMCLFWJANO-ROUUACIJSA-N 2 1 347.507 1.765 20 0 EDADMP C[C@@H]1[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000702613568 709704592 /nfs/dbraw/zinc/70/45/92/709704592.db2.gz GOJXXHPDYHOSKE-CKEIUWERSA-N 2 1 327.469 1.431 20 0 EDADMP C[C@@H]1[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000702613568 709704594 /nfs/dbraw/zinc/70/45/94/709704594.db2.gz GOJXXHPDYHOSKE-CKEIUWERSA-N 2 1 327.469 1.431 20 0 EDADMP CC[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1)OC ZINC001002995603 709743251 /nfs/dbraw/zinc/74/32/51/709743251.db2.gz POCPSSVUGMINMC-AEFFLSMTSA-N 2 1 339.524 1.970 20 0 EDADMP CO[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312988 709759458 /nfs/dbraw/zinc/75/94/58/709759458.db2.gz VAYCNILYSHHJHW-CVEARBPZSA-N 2 1 348.491 1.768 20 0 EDADMP CO[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312988 709759461 /nfs/dbraw/zinc/75/94/61/709759461.db2.gz VAYCNILYSHHJHW-CVEARBPZSA-N 2 1 348.491 1.768 20 0 EDADMP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001003007532 709776616 /nfs/dbraw/zinc/77/66/16/709776616.db2.gz JLNHZDQSMFOOCS-GOSISDBHSA-N 2 1 335.492 1.620 20 0 EDADMP Cn1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC001034341063 709779899 /nfs/dbraw/zinc/77/98/99/709779899.db2.gz ZIMCUIVWQPJDEN-QGZVFWFLSA-N 2 1 347.507 1.765 20 0 EDADMP Cn1cc(C[N@H+]2CCCC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC001034341063 709779903 /nfs/dbraw/zinc/77/99/03/709779903.db2.gz ZIMCUIVWQPJDEN-QGZVFWFLSA-N 2 1 347.507 1.765 20 0 EDADMP Cn1cncc1C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340294 709803063 /nfs/dbraw/zinc/80/30/63/709803063.db2.gz NCNJTIXMFWHRFC-INIZCTEOSA-N 2 1 347.507 1.765 20 0 EDADMP Cn1cncc1C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340294 709803066 /nfs/dbraw/zinc/80/30/66/709803066.db2.gz NCNJTIXMFWHRFC-INIZCTEOSA-N 2 1 347.507 1.765 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CCOC3CCC3)C2)C1 ZINC001034394790 709931526 /nfs/dbraw/zinc/93/15/26/709931526.db2.gz RORXXWSCZHMFMX-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCOC3CCC3)C2)C1 ZINC001034394790 709931529 /nfs/dbraw/zinc/93/15/29/709931529.db2.gz RORXXWSCZHMFMX-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCOC3CCC3)C2)C1 ZINC001034394790 709931534 /nfs/dbraw/zinc/93/15/34/709931534.db2.gz RORXXWSCZHMFMX-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)on1 ZINC001034398479 709940388 /nfs/dbraw/zinc/94/03/88/709940388.db2.gz NUTQUOKFFMJBCD-HOTGVXAUSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)on1 ZINC001034398479 709940390 /nfs/dbraw/zinc/94/03/90/709940390.db2.gz NUTQUOKFFMJBCD-HOTGVXAUSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)on1 ZINC001034398479 709940393 /nfs/dbraw/zinc/94/03/93/709940393.db2.gz NUTQUOKFFMJBCD-HOTGVXAUSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)on1 ZINC001034398479 709940395 /nfs/dbraw/zinc/94/03/95/709940395.db2.gz NUTQUOKFFMJBCD-HOTGVXAUSA-N 2 1 334.464 1.938 20 0 EDADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001034431769 709999982 /nfs/dbraw/zinc/99/99/82/709999982.db2.gz NZEHMYPUENMQBQ-ZWKOTPCHSA-N 2 1 337.508 1.726 20 0 EDADMP COC[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034463740 710033400 /nfs/dbraw/zinc/03/34/00/710033400.db2.gz VNGBQNSMYVOKQT-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001003157523 710060106 /nfs/dbraw/zinc/06/01/06/710060106.db2.gz ALQOTPHAZXEJIP-YOEHRIQHSA-N 2 1 331.464 1.603 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001003157523 710060110 /nfs/dbraw/zinc/06/01/10/710060110.db2.gz ALQOTPHAZXEJIP-YOEHRIQHSA-N 2 1 331.464 1.603 20 0 EDADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001034490358 710109192 /nfs/dbraw/zinc/10/91/92/710109192.db2.gz HYXXKPDVMHPQGW-IRXDYDNUSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)nn1C ZINC001034525673 710176351 /nfs/dbraw/zinc/17/63/51/710176351.db2.gz OOKOEWCNIKZZHW-HZPDHXFCSA-N 2 1 333.480 1.151 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)nn1C ZINC001034525673 710176355 /nfs/dbraw/zinc/17/63/55/710176355.db2.gz OOKOEWCNIKZZHW-HZPDHXFCSA-N 2 1 333.480 1.151 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1C ZINC001034525673 710176358 /nfs/dbraw/zinc/17/63/58/710176358.db2.gz OOKOEWCNIKZZHW-HZPDHXFCSA-N 2 1 333.480 1.151 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1C ZINC001034525673 710176360 /nfs/dbraw/zinc/17/63/60/710176360.db2.gz OOKOEWCNIKZZHW-HZPDHXFCSA-N 2 1 333.480 1.151 20 0 EDADMP Cc1ncsc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034526337 710178582 /nfs/dbraw/zinc/17/85/82/710178582.db2.gz XGPJAODCLQAYPQ-GJZGRUSLSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncsc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034526337 710178583 /nfs/dbraw/zinc/17/85/83/710178583.db2.gz XGPJAODCLQAYPQ-GJZGRUSLSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1ncsc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034526337 710178585 /nfs/dbraw/zinc/17/85/85/710178585.db2.gz XGPJAODCLQAYPQ-GJZGRUSLSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001003318381 710246874 /nfs/dbraw/zinc/24/68/74/710246874.db2.gz HSGRQHVBBHBHIR-AWEZNQCLSA-N 2 1 342.390 1.196 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001034608399 710281789 /nfs/dbraw/zinc/28/17/89/710281789.db2.gz BWKRYFKXOFRDHN-JYJNAYRXSA-N 2 1 331.464 1.396 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1)c1cnccn1 ZINC001034610350 710284565 /nfs/dbraw/zinc/28/45/65/710284565.db2.gz MMBZBKVWMVFNOB-JKQORVJESA-N 2 1 331.464 1.649 20 0 EDADMP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034647262 710323825 /nfs/dbraw/zinc/32/38/25/710323825.db2.gz BQWZVAPIHRIENU-KCYZZUKISA-N 2 1 348.495 1.155 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001003492322 710374990 /nfs/dbraw/zinc/37/49/90/710374990.db2.gz GHGXKOWWJAWZEW-QAPCUYQASA-N 2 1 337.508 1.745 20 0 EDADMP CC[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1)OC ZINC001003514538 710392654 /nfs/dbraw/zinc/39/26/54/710392654.db2.gz AVFSLAGDRYZTSN-QAPCUYQASA-N 2 1 348.491 1.760 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccn2C)CC1 ZINC001034693408 710784078 /nfs/dbraw/zinc/78/40/78/710784078.db2.gz YSDXFYPQOCEVSM-SHTZXODSSA-N 2 1 330.436 1.142 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2nccnc2C)CC1 ZINC001034693453 710784510 /nfs/dbraw/zinc/78/45/10/710784510.db2.gz ZVXUDOBSCAZXOI-WKILWMFISA-N 2 1 342.447 1.507 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001034733798 710914774 /nfs/dbraw/zinc/91/47/74/710914774.db2.gz DCCYUPPRBMPNGG-FVQBIDKESA-N 2 1 334.464 1.842 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC001034734069 710915412 /nfs/dbraw/zinc/91/54/12/710915412.db2.gz JDBLXNSFSQDAIT-XMTFNYHQSA-N 2 1 337.508 1.772 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1)c1nncn1C ZINC001034735324 710920468 /nfs/dbraw/zinc/92/04/68/710920468.db2.gz FGEOVZWNVHPSFN-QKPAOTATSA-N 2 1 348.495 1.377 20 0 EDADMP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034736928 710947994 /nfs/dbraw/zinc/94/79/94/710947994.db2.gz DPAZIXBMSFMJMU-MIGQKNRLSA-N 2 1 334.464 1.698 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC001032960205 710968101 /nfs/dbraw/zinc/96/81/01/710968101.db2.gz OXRZWTCUHLFWSF-RDJZCZTQSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCOc2ccccc2F)C1 ZINC001032960205 710968103 /nfs/dbraw/zinc/96/81/03/710968103.db2.gz OXRZWTCUHLFWSF-RDJZCZTQSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC001032960205 710968106 /nfs/dbraw/zinc/96/81/06/710968106.db2.gz OXRZWTCUHLFWSF-RDJZCZTQSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC001032960205 710968110 /nfs/dbraw/zinc/96/81/10/710968110.db2.gz OXRZWTCUHLFWSF-RDJZCZTQSA-N 2 1 349.450 1.831 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001032982794 711083635 /nfs/dbraw/zinc/08/36/35/711083635.db2.gz YASSRWCSZPVGRG-ZWKOTPCHSA-N 2 1 349.519 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001032982794 711083638 /nfs/dbraw/zinc/08/36/38/711083638.db2.gz YASSRWCSZPVGRG-ZWKOTPCHSA-N 2 1 349.519 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001032982794 711083641 /nfs/dbraw/zinc/08/36/41/711083641.db2.gz YASSRWCSZPVGRG-ZWKOTPCHSA-N 2 1 349.519 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001032982794 711083645 /nfs/dbraw/zinc/08/36/45/711083645.db2.gz YASSRWCSZPVGRG-ZWKOTPCHSA-N 2 1 349.519 1.820 20 0 EDADMP Cc1ncsc1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003969480 711117879 /nfs/dbraw/zinc/11/78/79/711117879.db2.gz XDPYQEQGVZCNBZ-AWEZNQCLSA-N 2 1 336.505 1.874 20 0 EDADMP CCc1nc(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001034792953 711120676 /nfs/dbraw/zinc/12/06/76/711120676.db2.gz PQOIHKXPNADDNF-IHRRRGAJSA-N 2 1 335.452 1.101 20 0 EDADMP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC001034792953 711120677 /nfs/dbraw/zinc/12/06/77/711120677.db2.gz PQOIHKXPNADDNF-IHRRRGAJSA-N 2 1 335.452 1.101 20 0 EDADMP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001034792953 711120680 /nfs/dbraw/zinc/12/06/80/711120680.db2.gz PQOIHKXPNADDNF-IHRRRGAJSA-N 2 1 335.452 1.101 20 0 EDADMP CCCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034793248 711122340 /nfs/dbraw/zinc/12/23/40/711122340.db2.gz VDZRAXALULHRKM-RBSFLKMASA-N 2 1 349.479 1.491 20 0 EDADMP CCCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034793248 711122343 /nfs/dbraw/zinc/12/23/43/711122343.db2.gz VDZRAXALULHRKM-RBSFLKMASA-N 2 1 349.479 1.491 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034793349 711123012 /nfs/dbraw/zinc/12/30/12/711123012.db2.gz XUPLENAEHGZVDU-JYJNAYRXSA-N 2 1 334.464 1.760 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034793373 711123691 /nfs/dbraw/zinc/12/36/91/711123691.db2.gz YNNPQTRAFYSGHK-BPUTZDHNSA-N 2 1 334.464 1.706 20 0 EDADMP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)sn1 ZINC001034883626 711286278 /nfs/dbraw/zinc/28/62/78/711286278.db2.gz UBYWKRVOFUWHAP-TZMCWYRMSA-N 2 1 338.477 1.327 20 0 EDADMP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)no1 ZINC001034935908 711363388 /nfs/dbraw/zinc/36/33/88/711363388.db2.gz DWPOPNUFMILYKY-IAGOWNOFSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)no1 ZINC001034935908 711363389 /nfs/dbraw/zinc/36/33/89/711363389.db2.gz DWPOPNUFMILYKY-IAGOWNOFSA-N 2 1 334.464 1.936 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cscn2)CC[N@@H+]1C ZINC001034942798 711396612 /nfs/dbraw/zinc/39/66/12/711396612.db2.gz VCCHMMUBBJEDFL-OWCLPIDISA-N 2 1 336.505 1.954 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cscn2)CC[N@H+]1C ZINC001034942798 711396614 /nfs/dbraw/zinc/39/66/14/711396614.db2.gz VCCHMMUBBJEDFL-OWCLPIDISA-N 2 1 336.505 1.954 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cn3ccccc3n1)C2 ZINC000922388129 711429703 /nfs/dbraw/zinc/42/97/03/711429703.db2.gz OOWHAPKTGQFXIM-PSBWJHGTSA-N 2 1 328.460 1.904 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)s1 ZINC001034957743 711430050 /nfs/dbraw/zinc/43/00/50/711430050.db2.gz HKWUHXKBBGUJSX-CQSZACIVSA-N 2 1 337.493 1.411 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)s1 ZINC001034957743 711430052 /nfs/dbraw/zinc/43/00/52/711430052.db2.gz HKWUHXKBBGUJSX-CQSZACIVSA-N 2 1 337.493 1.411 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccn(C)n2)C1 ZINC001034958652 711432116 /nfs/dbraw/zinc/43/21/16/711432116.db2.gz LXJOBCFSOOFNJO-FUHWJXTLSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncccn2)C1 ZINC001034959290 711433787 /nfs/dbraw/zinc/43/37/87/711433787.db2.gz WIWZGFFCYXTMIM-DLBZAZTESA-N 2 1 345.491 1.535 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncccn2)C1 ZINC001034959290 711433791 /nfs/dbraw/zinc/43/37/91/711433791.db2.gz WIWZGFFCYXTMIM-DLBZAZTESA-N 2 1 345.491 1.535 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc3c(cnn3C)c1)C2 ZINC000922389824 711437929 /nfs/dbraw/zinc/43/79/29/711437929.db2.gz KOUQVBYMVIRFCR-MTNOOBJLSA-N 2 1 343.475 1.538 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C(C)(C)[NH+]2CCCCC2)[nH]1 ZINC001034938889 711441048 /nfs/dbraw/zinc/44/10/48/711441048.db2.gz VWWVASXZQUHAQB-OAHLLOKOSA-N 2 1 348.495 1.458 20 0 EDADMP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(Cl)n1C)C2 ZINC000922389799 711444920 /nfs/dbraw/zinc/44/49/20/711444920.db2.gz KJPXWNSQKZCDCD-CZPYZCIJSA-N 2 1 326.872 1.643 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(Cl)n1C)C2 ZINC000922389799 711444922 /nfs/dbraw/zinc/44/49/22/711444922.db2.gz KJPXWNSQKZCDCD-CZPYZCIJSA-N 2 1 326.872 1.643 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cnoc2C)CC[N@H+]1C ZINC001034940979 711445151 /nfs/dbraw/zinc/44/51/51/711445151.db2.gz JLKHFFIAOGOWGP-IXDOHACOSA-N 2 1 334.464 1.794 20 0 EDADMP CN(C)c1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001004142082 711542110 /nfs/dbraw/zinc/54/21/10/711542110.db2.gz HCDMZJIQDMKDQQ-QGZVFWFLSA-N 2 1 344.503 1.785 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922511138 711641000 /nfs/dbraw/zinc/64/10/00/711641000.db2.gz SQRWWJYSFUMIJN-XHSDSOJGSA-N 2 1 342.553 1.986 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922511138 711641001 /nfs/dbraw/zinc/64/10/01/711641001.db2.gz SQRWWJYSFUMIJN-XHSDSOJGSA-N 2 1 342.553 1.986 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000922511138 711641004 /nfs/dbraw/zinc/64/10/04/711641004.db2.gz SQRWWJYSFUMIJN-XHSDSOJGSA-N 2 1 342.553 1.986 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CCC([C@H]2CCC[N@H+]2C[C@@H]2CCOC2)CC1 ZINC001004617512 712077423 /nfs/dbraw/zinc/07/74/23/712077423.db2.gz QVGJEVCHTXEVAQ-PKOBYXMFSA-N 2 1 349.519 1.822 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCF)CC2)C1 ZINC001004618028 712078246 /nfs/dbraw/zinc/07/82/46/712078246.db2.gz AMEDEVKZXGVSPP-DLBZAZTESA-N 2 1 341.471 1.380 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCF)CC2)C1 ZINC001004618028 712078248 /nfs/dbraw/zinc/07/82/48/712078248.db2.gz AMEDEVKZXGVSPP-DLBZAZTESA-N 2 1 341.471 1.380 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CCF)CC2)C1 ZINC001004618028 712078249 /nfs/dbraw/zinc/07/82/49/712078249.db2.gz AMEDEVKZXGVSPP-DLBZAZTESA-N 2 1 341.471 1.380 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CCF)CC2)C1 ZINC001004618028 712078251 /nfs/dbraw/zinc/07/82/51/712078251.db2.gz AMEDEVKZXGVSPP-DLBZAZTESA-N 2 1 341.471 1.380 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)ccn1 ZINC000359900936 282109710 /nfs/dbraw/zinc/10/97/10/282109710.db2.gz QVBJIFNAQCRAQZ-SJORKVTESA-N 2 1 346.475 1.721 20 0 EDADMP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)C1 ZINC000371074505 282198610 /nfs/dbraw/zinc/19/86/10/282198610.db2.gz MGRAJYOQCFURNE-IKGGRYGDSA-N 2 1 334.439 1.916 20 0 EDADMP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)C1 ZINC000371074505 282198611 /nfs/dbraw/zinc/19/86/11/282198611.db2.gz MGRAJYOQCFURNE-IKGGRYGDSA-N 2 1 334.439 1.916 20 0 EDADMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000371589975 282251373 /nfs/dbraw/zinc/25/13/73/282251373.db2.gz KAKAEVVLGWLROW-OKZBNKHCSA-N 2 1 331.460 1.139 20 0 EDADMP CCC(CC)[C@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000442613278 282249548 /nfs/dbraw/zinc/24/95/48/282249548.db2.gz BGJMBUGLTFQAFO-DOTOQJQBSA-N 2 1 325.497 1.711 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCSC1 ZINC000360754283 282273760 /nfs/dbraw/zinc/27/37/60/282273760.db2.gz LRNZAOVKLKMUDV-ZBFHGGJFSA-N 2 1 326.510 1.303 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000183564802 282306737 /nfs/dbraw/zinc/30/67/37/282306737.db2.gz RTJXUEZFSRFFSO-INIZCTEOSA-N 2 1 345.491 1.390 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000560315373 306264107 /nfs/dbraw/zinc/26/41/07/306264107.db2.gz SKPWKGPKCQJNNT-OAHLLOKOSA-N 2 1 340.512 1.166 20 0 EDADMP COC1(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000178841227 232534871 /nfs/dbraw/zinc/53/48/71/232534871.db2.gz QXNLXUPFRBYRSV-QGZVFWFLSA-N 2 1 345.487 1.878 20 0 EDADMP CNC(=O)COc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000560556982 306274416 /nfs/dbraw/zinc/27/44/16/306274416.db2.gz HXKPAMDHFIJRSX-UHFFFAOYSA-N 2 1 331.460 1.775 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)[C@@H]2CCC[C@H]21 ZINC000560583952 306275113 /nfs/dbraw/zinc/27/51/13/306275113.db2.gz DOHNZMNTJPKICX-YHUYYLMFSA-N 2 1 329.510 1.263 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000332818836 539605387 /nfs/dbraw/zinc/60/53/87/539605387.db2.gz ADHXWDDCPIXJEE-JKSUJKDBSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CCN2C)C1 ZINC000332818836 539605396 /nfs/dbraw/zinc/60/53/96/539605396.db2.gz ADHXWDDCPIXJEE-JKSUJKDBSA-N 2 1 339.528 1.042 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CCN2C)C1 ZINC000332818836 539605399 /nfs/dbraw/zinc/60/53/99/539605399.db2.gz ADHXWDDCPIXJEE-JKSUJKDBSA-N 2 1 339.528 1.042 20 0 EDADMP COCCN(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000562441644 306298684 /nfs/dbraw/zinc/29/86/84/306298684.db2.gz CNCICXTXLKKBJH-RBUKOAKNSA-N 2 1 335.492 1.526 20 0 EDADMP CCCN(CC[NH+]1CCCC1)C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000352886991 539928578 /nfs/dbraw/zinc/92/85/78/539928578.db2.gz IOVQCZGMLKVOCD-BZSNNMDCSA-N 2 1 327.513 1.264 20 0 EDADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000495574758 299200246 /nfs/dbraw/zinc/20/02/46/299200246.db2.gz NDOMYOKAIZDMSK-IMJJTQAJSA-N 2 1 341.496 1.989 20 0 EDADMP CCOc1cc(C[N@@H+](C)CCC[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000563130475 306319511 /nfs/dbraw/zinc/31/95/11/306319511.db2.gz YUUXLWKVYZLXOY-CQSZACIVSA-N 2 1 337.464 1.721 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000342765988 291048335 /nfs/dbraw/zinc/04/83/35/291048335.db2.gz RJDAGEDPYCWDGV-PMPSAXMXSA-N 2 1 339.480 1.380 20 0 EDADMP COC(=O)CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(C)C ZINC000050032203 138130590 /nfs/dbraw/zinc/13/05/90/138130590.db2.gz MJMCVHUVPGWNEM-UHFFFAOYSA-N 2 1 339.480 1.251 20 0 EDADMP O=S(=O)(C1CC1)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000090231562 138278241 /nfs/dbraw/zinc/27/82/41/138278241.db2.gz XDOYAXAPARLVOT-CABCVRRESA-N 2 1 327.494 1.159 20 0 EDADMP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2C[NH+]3CCCC[C@@H]3CO2)C1 ZINC000090522949 138279517 /nfs/dbraw/zinc/27/95/17/138279517.db2.gz BFMSUQABGJPTBA-BRWVUGGUSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2C[NH+]3CCCC[C@@H]3CO2)C1 ZINC000090522949 138279518 /nfs/dbraw/zinc/27/95/18/138279518.db2.gz BFMSUQABGJPTBA-BRWVUGGUSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)C1 ZINC000090522949 138279519 /nfs/dbraw/zinc/27/95/19/138279519.db2.gz BFMSUQABGJPTBA-BRWVUGGUSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)C1 ZINC000090522949 138279520 /nfs/dbraw/zinc/27/95/20/138279520.db2.gz BFMSUQABGJPTBA-BRWVUGGUSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000093609710 138294238 /nfs/dbraw/zinc/29/42/38/138294238.db2.gz WPFRURDCZYTFKJ-BBWFWOEESA-N 2 1 345.491 1.474 20 0 EDADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000093609710 138294239 /nfs/dbraw/zinc/29/42/39/138294239.db2.gz WPFRURDCZYTFKJ-BBWFWOEESA-N 2 1 345.491 1.474 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109789106 138306235 /nfs/dbraw/zinc/30/62/35/138306235.db2.gz UTMQKEXNCWQUBB-UHFFFAOYSA-N 2 1 334.464 1.668 20 0 EDADMP C[NH+](C)CCCC1CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC1 ZINC000123666752 138320343 /nfs/dbraw/zinc/32/03/43/138320343.db2.gz KYCXWIQRMUJMEJ-UHFFFAOYSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[C@H]1CN(C(=O)NCCC[NH2+]C(C)C)CC[N@H+]1CCOC ZINC000563875525 306350986 /nfs/dbraw/zinc/35/09/86/306350986.db2.gz WKOFHKDTBUGCAZ-INIZCTEOSA-N 2 1 328.501 1.517 20 0 EDADMP CCC[N@@H+]1CCCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000365418052 283324896 /nfs/dbraw/zinc/32/48/96/283324896.db2.gz KINDWQVHUZJKHU-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000365418052 283324899 /nfs/dbraw/zinc/32/48/99/283324899.db2.gz KINDWQVHUZJKHU-QGZVFWFLSA-N 2 1 340.512 1.471 20 0 EDADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1(C)C ZINC000249073324 535440532 /nfs/dbraw/zinc/44/05/32/535440532.db2.gz MDXAETDLYGOOCG-IIDMSEBBSA-N 2 1 325.497 1.756 20 0 EDADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000564839203 306366410 /nfs/dbraw/zinc/36/64/10/306366410.db2.gz FCQSTQTZYGDZMG-HOTGVXAUSA-N 2 1 327.432 1.373 20 0 EDADMP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)CC(F)(F)C[NH3+] ZINC000565151978 306376275 /nfs/dbraw/zinc/37/62/75/306376275.db2.gz WEQXOSPKTSRMJS-SWLSCSKDSA-N 2 1 343.422 1.246 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)CC(F)(F)C[NH3+] ZINC000565151978 306376276 /nfs/dbraw/zinc/37/62/76/306376276.db2.gz WEQXOSPKTSRMJS-SWLSCSKDSA-N 2 1 343.422 1.246 20 0 EDADMP CC(C)C[C@H]([NH3+])CN1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000414694632 304128583 /nfs/dbraw/zinc/12/85/83/304128583.db2.gz NGBFLZYHNURSCA-ZWKOTPCHSA-N 2 1 326.529 1.087 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000414701698 304129935 /nfs/dbraw/zinc/12/99/35/304129935.db2.gz KOOVEBYSVMEATK-GJZGRUSLSA-N 2 1 346.475 1.724 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414707549 304130872 /nfs/dbraw/zinc/13/08/72/304130872.db2.gz PUMMRTQLGWZUDW-CYBMUJFWSA-N 2 1 330.432 1.219 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000414723606 304133103 /nfs/dbraw/zinc/13/31/03/304133103.db2.gz PYTZMZHIWHKAHW-UHFFFAOYSA-N 2 1 332.448 1.287 20 0 EDADMP Cc1nc(COc2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)cc2)no1 ZINC000415034896 304152979 /nfs/dbraw/zinc/15/29/79/304152979.db2.gz IKVQTJWVEJMALV-INIZCTEOSA-N 2 1 332.404 1.425 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000415043108 304153697 /nfs/dbraw/zinc/15/36/97/304153697.db2.gz AEEBYUKDJQRBSU-AWEZNQCLSA-N 2 1 330.432 1.413 20 0 EDADMP CN(c1ccccc1CNC[C@H]1C[NH2+]CCO1)C1CC[NH+](C)CC1 ZINC000415099400 304159931 /nfs/dbraw/zinc/15/99/31/304159931.db2.gz YELHNVUNESLZJK-GOSISDBHSA-N 2 1 332.492 1.295 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000103500558 204082015 /nfs/dbraw/zinc/08/20/15/204082015.db2.gz XKVKZLZRKOVMMC-MRXNPFEDSA-N 2 1 333.407 1.731 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)c2csc(CC[NH3+])n2)C[C@H]1CC ZINC000194835023 139001089 /nfs/dbraw/zinc/00/10/89/139001089.db2.gz IXTFNGWIXAWUDK-CYBMUJFWSA-N 2 1 340.493 1.217 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)c2csc(CC[NH3+])n2)C[C@H]1CC ZINC000194835023 139001090 /nfs/dbraw/zinc/00/10/90/139001090.db2.gz IXTFNGWIXAWUDK-CYBMUJFWSA-N 2 1 340.493 1.217 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@@H]1C ZINC000415149088 304165147 /nfs/dbraw/zinc/16/51/47/304165147.db2.gz MUIDBEMMNBCVGA-KBPBESRZSA-N 2 1 332.448 1.286 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@@H]1C ZINC000415149088 304165149 /nfs/dbraw/zinc/16/51/49/304165149.db2.gz MUIDBEMMNBCVGA-KBPBESRZSA-N 2 1 332.448 1.286 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NC3CC3)C2)[nH+]1 ZINC000195516217 139018841 /nfs/dbraw/zinc/01/88/41/139018841.db2.gz MSCLDRWAOGPVGH-UONOGXRCSA-N 2 1 345.447 1.501 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000155209897 205002165 /nfs/dbraw/zinc/00/21/65/205002165.db2.gz JORMJCCFSMFFCZ-OAHLLOKOSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000125303784 205002292 /nfs/dbraw/zinc/00/22/92/205002292.db2.gz ZKTMXURSLINFRZ-AEFFLSMTSA-N 2 1 330.476 1.408 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000125303784 205002297 /nfs/dbraw/zinc/00/22/97/205002297.db2.gz ZKTMXURSLINFRZ-AEFFLSMTSA-N 2 1 330.476 1.408 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCC3([NH3+])CCCCC3)cc2)CC1 ZINC000237213520 139044708 /nfs/dbraw/zinc/04/47/08/139044708.db2.gz VPXOSTIIPGDXJA-UHFFFAOYSA-N 2 1 344.503 1.825 20 0 EDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496230972 284340846 /nfs/dbraw/zinc/34/08/46/284340846.db2.gz BDIXWNVXWKNZRB-QLFBSQMISA-N 2 1 327.469 1.098 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496230972 284340853 /nfs/dbraw/zinc/34/08/53/284340853.db2.gz BDIXWNVXWKNZRB-QLFBSQMISA-N 2 1 327.469 1.098 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496230972 284340857 /nfs/dbraw/zinc/34/08/57/284340857.db2.gz BDIXWNVXWKNZRB-QLFBSQMISA-N 2 1 327.469 1.098 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496230972 284340861 /nfs/dbraw/zinc/34/08/61/284340861.db2.gz BDIXWNVXWKNZRB-QLFBSQMISA-N 2 1 327.469 1.098 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCCCCC[NH3+] ZINC000237514369 139052915 /nfs/dbraw/zinc/05/29/15/139052915.db2.gz GTVXTQWJWCKTFJ-KRWDZBQOSA-N 2 1 347.507 1.618 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000237524606 139053317 /nfs/dbraw/zinc/05/33/17/139053317.db2.gz XWPDFGVEMBZVAK-YJBOKZPZSA-N 2 1 331.460 1.666 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000111806045 220194585 /nfs/dbraw/zinc/19/45/85/220194585.db2.gz RJHQTWMGFYUSIL-GOSISDBHSA-N 2 1 348.491 1.658 20 0 EDADMP C[C@@H]1CCN([C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1n1ccnc1 ZINC000245627529 139081418 /nfs/dbraw/zinc/08/14/18/139081418.db2.gz PEWNGLQARYUMEY-BZUAXINKSA-N 2 1 342.447 1.695 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cc2)C[C@@H](C)O1 ZINC000245826302 139086926 /nfs/dbraw/zinc/08/69/26/139086926.db2.gz YYUPYASZQNWDJF-JFIYKMOQSA-N 2 1 345.487 1.977 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)cc2)C[C@@H](C)O1 ZINC000245826302 139086927 /nfs/dbraw/zinc/08/69/27/139086927.db2.gz YYUPYASZQNWDJF-JFIYKMOQSA-N 2 1 345.487 1.977 20 0 EDADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)NC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000157074657 206115383 /nfs/dbraw/zinc/11/53/83/206115383.db2.gz RFZBQXOGHUHVNA-ZBFHGGJFSA-N 2 1 332.448 1.556 20 0 EDADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)NC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000157074657 206115389 /nfs/dbraw/zinc/11/53/89/206115389.db2.gz RFZBQXOGHUHVNA-ZBFHGGJFSA-N 2 1 332.448 1.556 20 0 EDADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)NC(N)=O)CC[NH+]1Cc1ccccc1 ZINC000157074657 206115394 /nfs/dbraw/zinc/11/53/94/206115394.db2.gz RFZBQXOGHUHVNA-ZBFHGGJFSA-N 2 1 332.448 1.556 20 0 EDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)NC(N)=O)CC[NH+]1Cc1ccccc1 ZINC000157074657 206115399 /nfs/dbraw/zinc/11/53/99/206115399.db2.gz RFZBQXOGHUHVNA-ZBFHGGJFSA-N 2 1 332.448 1.556 20 0 EDADMP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000246202673 139098857 /nfs/dbraw/zinc/09/88/57/139098857.db2.gz VEPDMPKOEKTUEG-HKUYNNGSSA-N 2 1 344.503 1.433 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000246202673 139098858 /nfs/dbraw/zinc/09/88/58/139098858.db2.gz VEPDMPKOEKTUEG-HKUYNNGSSA-N 2 1 344.503 1.433 20 0 EDADMP CC1(C)CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415297905 304188172 /nfs/dbraw/zinc/18/81/72/304188172.db2.gz OROAPTMBYNOXSO-UHFFFAOYSA-N 2 1 330.432 1.219 20 0 EDADMP C[C@H]1CCCCN1C(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246377931 139106262 /nfs/dbraw/zinc/10/62/62/139106262.db2.gz ZCYSJIDCBOAKEO-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@H]1CCCCN1C(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246377931 139106263 /nfs/dbraw/zinc/10/62/63/139106263.db2.gz ZCYSJIDCBOAKEO-ZWKOTPCHSA-N 2 1 336.524 1.489 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246967483 139128877 /nfs/dbraw/zinc/12/88/77/139128877.db2.gz OKRFWNJWABIDMU-HYVNUMGLSA-N 2 1 333.480 1.953 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246967483 139128878 /nfs/dbraw/zinc/12/88/78/139128878.db2.gz OKRFWNJWABIDMU-HYVNUMGLSA-N 2 1 333.480 1.953 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000247236586 139141556 /nfs/dbraw/zinc/14/15/56/139141556.db2.gz XJDQMHWMVWWNSJ-QZTJIDSGSA-N 2 1 331.460 1.660 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000247236586 139141557 /nfs/dbraw/zinc/14/15/57/139141557.db2.gz XJDQMHWMVWWNSJ-QZTJIDSGSA-N 2 1 331.460 1.660 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000248233369 139159664 /nfs/dbraw/zinc/15/96/64/139159664.db2.gz LNKUVNMRDCNTTG-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000248233369 139159665 /nfs/dbraw/zinc/15/96/65/139159665.db2.gz LNKUVNMRDCNTTG-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000248233369 139159666 /nfs/dbraw/zinc/15/96/66/139159666.db2.gz LNKUVNMRDCNTTG-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP C[NH+](CC1(C[N@H+](C)[C@H](CO)C(C)(C)C)COC1)[C@H](CO)C(C)(C)C ZINC000248413295 139162733 /nfs/dbraw/zinc/16/27/33/139162733.db2.gz FZCILRUHQCGBQV-HZPDHXFCSA-N 2 1 344.540 1.681 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@@H]12 ZINC000248645011 139169799 /nfs/dbraw/zinc/16/97/99/139169799.db2.gz SDODFKUBLLKYCB-BRSBDYLESA-N 2 1 329.444 1.083 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@@H]12 ZINC000248645011 139169800 /nfs/dbraw/zinc/16/98/00/139169800.db2.gz SDODFKUBLLKYCB-BRSBDYLESA-N 2 1 329.444 1.083 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H]1C ZINC000248652976 139170278 /nfs/dbraw/zinc/17/02/78/139170278.db2.gz VMNRRHDWOVQYKM-XNIRIUNOSA-N 2 1 340.512 1.203 20 0 EDADMP CCOC1CC(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)(N2CCOCC2)C1 ZINC000248885352 139179340 /nfs/dbraw/zinc/17/93/40/139179340.db2.gz LZKSNUUQOAGRRI-VYMRPNJYSA-N 2 1 325.497 1.329 20 0 EDADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000252442126 139204508 /nfs/dbraw/zinc/20/45/08/139204508.db2.gz QKWXDQVDFHHMLZ-JKSUJKDBSA-N 2 1 332.448 1.906 20 0 EDADMP C[C@H](NC(=O)COC1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261579986 139209203 /nfs/dbraw/zinc/20/92/03/139209203.db2.gz PUOLUCRWBQNQLD-WMZOPIPTSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000261615114 139211216 /nfs/dbraw/zinc/21/12/16/139211216.db2.gz COGPSFQLTONFIH-LJQANCHMSA-N 2 1 331.460 1.859 20 0 EDADMP CCCOc1ccc(OCC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261636529 139213288 /nfs/dbraw/zinc/21/32/88/139213288.db2.gz HYRWYGIVSUQLCW-KRWDZBQOSA-N 2 1 333.476 1.834 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000261664019 139215470 /nfs/dbraw/zinc/21/54/70/139215470.db2.gz KYINZRWRMPTMOT-CYBMUJFWSA-N 2 1 345.365 1.872 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000261664021 139215501 /nfs/dbraw/zinc/21/55/01/139215501.db2.gz KYINZRWRMPTMOT-ZDUSSCGKSA-N 2 1 345.365 1.872 20 0 EDADMP COc1cc(OC)c(OC)cc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261725706 139220875 /nfs/dbraw/zinc/22/08/75/139220875.db2.gz REPLKGMIRAEJBT-OAHLLOKOSA-N 2 1 335.448 1.192 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000261731034 139221365 /nfs/dbraw/zinc/22/13/65/139221365.db2.gz KWFCODAHFMCRKA-KSZLIROESA-N 2 1 331.460 1.382 20 0 EDADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261781242 139225591 /nfs/dbraw/zinc/22/55/91/139225591.db2.gz XXHHCYJDYACABJ-WBVHZDCISA-N 2 1 333.480 1.117 20 0 EDADMP C[C@@H]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C[NH3+])C1 ZINC000261844078 139230976 /nfs/dbraw/zinc/23/09/76/139230976.db2.gz PVKYPTMIASMPEA-NZSAHSFTSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C[NH3+])C1 ZINC000261844078 139230977 /nfs/dbraw/zinc/23/09/77/139230977.db2.gz PVKYPTMIASMPEA-NZSAHSFTSA-N 2 1 345.487 1.863 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)CC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000261867646 139232653 /nfs/dbraw/zinc/23/26/53/139232653.db2.gz QGLITEJLAWVVMH-GOSISDBHSA-N 2 1 344.503 1.440 20 0 EDADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c(OC)c1 ZINC000261929037 139237856 /nfs/dbraw/zinc/23/78/56/139237856.db2.gz CNBYANZAJOIHGX-OAHLLOKOSA-N 2 1 335.448 1.523 20 0 EDADMP O=C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)NCCc1ccccc1 ZINC000261964455 139240303 /nfs/dbraw/zinc/24/03/03/139240303.db2.gz PXUSCWKMWAYFDK-KZNAEPCWSA-N 2 1 331.460 1.092 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000261991375 139242361 /nfs/dbraw/zinc/24/23/61/139242361.db2.gz SKZNZFJVKHJUCP-XYPWUTKMSA-N 2 1 334.464 1.778 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000261991375 139242362 /nfs/dbraw/zinc/24/23/62/139242362.db2.gz SKZNZFJVKHJUCP-XYPWUTKMSA-N 2 1 334.464 1.778 20 0 EDADMP CCOc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000414871061 250871255 /nfs/dbraw/zinc/87/12/55/250871255.db2.gz CRWPZPXHBZCLMS-CQSZACIVSA-N 2 1 349.475 1.912 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C[NH3+])cc3)CC[C@@H]21 ZINC000414966636 250903949 /nfs/dbraw/zinc/90/39/49/250903949.db2.gz OWESBVIIEBNPQD-ZBFHGGJFSA-N 2 1 330.432 1.027 20 0 EDADMP COc1cccc([C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)c1 ZINC000174425585 207017968 /nfs/dbraw/zinc/01/79/68/207017968.db2.gz GAIMXYPGHCHBJW-ZWKOTPCHSA-N 2 1 347.459 1.279 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1OC(C)C ZINC000262164988 139256617 /nfs/dbraw/zinc/25/66/17/139256617.db2.gz UCGBBRAQHDTLAV-QGZVFWFLSA-N 2 1 333.476 1.962 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)cs1 ZINC000262172847 139257163 /nfs/dbraw/zinc/25/71/63/139257163.db2.gz YPNVNILIOJVQGC-KRWDZBQOSA-N 2 1 336.505 1.861 20 0 EDADMP COc1ccc(CC[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000262247301 139263339 /nfs/dbraw/zinc/26/33/39/139263339.db2.gz PRZVVVUPRKARCP-IEBWSBKVSA-N 2 1 345.487 1.818 20 0 EDADMP C[N@@H+](CCCNC(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000416877879 251115344 /nfs/dbraw/zinc/11/53/44/251115344.db2.gz VEYAYHURQGMPHB-KRWDZBQOSA-N 2 1 334.464 1.186 20 0 EDADMP CC1CC[NH+](CCCNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000416875975 251115401 /nfs/dbraw/zinc/11/54/01/251115401.db2.gz RRBZFHGHRIQGTI-GOSISDBHSA-N 2 1 345.491 1.860 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262302506 139268114 /nfs/dbraw/zinc/26/81/14/139268114.db2.gz OAKSZZPLCMGDDZ-OQSMONGASA-N 2 1 337.508 1.709 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000417004162 251127183 /nfs/dbraw/zinc/12/71/83/251127183.db2.gz HTKHAEXAVCVOBI-GOSISDBHSA-N 2 1 330.476 1.861 20 0 EDADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417024776 251139465 /nfs/dbraw/zinc/13/94/65/251139465.db2.gz MPIXDIISIMHBOF-JKSUJKDBSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000417222554 251148208 /nfs/dbraw/zinc/14/82/08/251148208.db2.gz QGBVBKNAHSVBDJ-YYIAUSFCSA-N 2 1 336.524 1.994 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262364906 139273436 /nfs/dbraw/zinc/27/34/36/139273436.db2.gz JCJPMXWTVCXZMQ-ZTFGCOKTSA-N 2 1 331.460 1.400 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417568825 251190572 /nfs/dbraw/zinc/19/05/72/251190572.db2.gz PLQUKRUHIRPXJZ-QGZVFWFLSA-N 2 1 334.464 1.268 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417573020 251192449 /nfs/dbraw/zinc/19/24/49/251192449.db2.gz WHPBOKSKGZBPLG-MSOLQXFVSA-N 2 1 348.491 1.877 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000417647080 251212626 /nfs/dbraw/zinc/21/26/26/251212626.db2.gz DYALWVGJSJHMJP-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP COc1ccncc1NC(=O)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000175954836 207176724 /nfs/dbraw/zinc/17/67/24/207176724.db2.gz PERBYLHMICPDAG-UHFFFAOYSA-N 2 1 348.447 1.609 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)CCN1 ZINC000417662523 251217708 /nfs/dbraw/zinc/21/77/08/251217708.db2.gz SDZBEALARHEGPC-RISCZKNCSA-N 2 1 326.391 1.571 20 0 EDADMP C[N@@H+](Cc1ccccc1CNC(=O)CNC(=O)C[NH3+])C1CCCCC1 ZINC000262413181 139277273 /nfs/dbraw/zinc/27/72/73/139277273.db2.gz PQXQCMPYDUAHJY-UHFFFAOYSA-N 2 1 346.475 1.142 20 0 EDADMP C[C@@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417734154 251248817 /nfs/dbraw/zinc/24/88/17/251248817.db2.gz VEODYXKWSHOPHK-INIZCTEOSA-N 2 1 334.464 1.125 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417738641 251250956 /nfs/dbraw/zinc/25/09/56/251250956.db2.gz XPIZFVKPECJEIE-QAPCUYQASA-N 2 1 345.491 1.234 20 0 EDADMP C[C@@H](CCNC(=O)N1CCCO[C@@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000417810903 251278285 /nfs/dbraw/zinc/27/82/85/251278285.db2.gz JAPXVUFVBYLAJW-WMZOPIPTSA-N 2 1 348.491 1.656 20 0 EDADMP C[N@@H+](CCNC(=O)NCC[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000417824497 251284385 /nfs/dbraw/zinc/28/43/85/251284385.db2.gz LYQOXBNFZBGSGF-OAHLLOKOSA-N 2 1 336.455 1.946 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417992545 251319244 /nfs/dbraw/zinc/31/92/44/251319244.db2.gz WPUINTXULXFZOK-KRWDZBQOSA-N 2 1 347.507 1.101 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418106382 251322256 /nfs/dbraw/zinc/32/22/56/251322256.db2.gz MZQODAOQUZRBFE-NXHRZFHOSA-N 2 1 330.476 1.887 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418426819 251368209 /nfs/dbraw/zinc/36/82/09/251368209.db2.gz KIXKNTFCZPYWSP-WBVHZDCISA-N 2 1 333.480 1.012 20 0 EDADMP Cc1cc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC000418194660 251353113 /nfs/dbraw/zinc/35/31/13/251353113.db2.gz DTTZWESVUWRRQU-HOCLYGCPSA-N 2 1 331.464 1.917 20 0 EDADMP CC[NH2+]CCNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418321835 251360028 /nfs/dbraw/zinc/36/00/28/251360028.db2.gz CRTJNKBEBUAFPC-QGZVFWFLSA-N 2 1 333.480 1.687 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000262629310 139291195 /nfs/dbraw/zinc/29/11/95/139291195.db2.gz DBOATRPQFGGDJS-MOPGFXCFSA-N 2 1 344.503 1.568 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)cc2F)CC1 ZINC000262870144 139309400 /nfs/dbraw/zinc/30/94/00/139309400.db2.gz MGLGGZMPTPOWPY-ZBFHGGJFSA-N 2 1 348.466 1.838 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000422856258 252002146 /nfs/dbraw/zinc/00/21/46/252002146.db2.gz FVBFXKYITBMUCL-ZWKOTPCHSA-N 2 1 333.476 1.910 20 0 EDADMP CC[C@H](C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423506941 252056522 /nfs/dbraw/zinc/05/65/22/252056522.db2.gz IZDUYJSTRMMTDQ-RCCFBDPRSA-N 2 1 333.476 1.862 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1c[nH+]ccc1N ZINC000422904634 252019128 /nfs/dbraw/zinc/01/91/28/252019128.db2.gz XSBJFZBBQOVFBO-RYUDHWBXSA-N 2 1 331.372 1.313 20 0 EDADMP C[N@H+](CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)Cc1ccccc1 ZINC000423995164 252110971 /nfs/dbraw/zinc/11/09/71/252110971.db2.gz DHJKQWUQNSTDRO-QUCCMNQESA-N 2 1 345.487 1.863 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)Cc1ccccc1 ZINC000423995164 252110974 /nfs/dbraw/zinc/11/09/74/252110974.db2.gz DHJKQWUQNSTDRO-QUCCMNQESA-N 2 1 345.487 1.863 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424139883 252140675 /nfs/dbraw/zinc/14/06/75/252140675.db2.gz VSOZOKDYPMFXFX-JKSUJKDBSA-N 2 1 348.495 1.587 20 0 EDADMP [NH3+][C@H](CCC(=O)NCC[N@H+]1CCCOCC1)CC1CCCCC1 ZINC000424179237 252154671 /nfs/dbraw/zinc/15/46/71/252154671.db2.gz YMCXLKIWDDVAMO-QGZVFWFLSA-N 2 1 325.497 1.903 20 0 EDADMP Cn1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424132995 252135193 /nfs/dbraw/zinc/13/51/93/252135193.db2.gz LOXICQFKRLQKCA-RBSFLKMASA-N 2 1 331.464 1.244 20 0 EDADMP COc1ccccc1CNC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300565 252192581 /nfs/dbraw/zinc/19/25/81/252192581.db2.gz WTSOYHSYXCZBRB-HNNXBMFYSA-N 2 1 331.460 1.775 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000424333751 252198710 /nfs/dbraw/zinc/19/87/10/252198710.db2.gz WGHNDUCKJUNISI-ULQDDVLXSA-N 2 1 325.497 1.581 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000424439699 252231412 /nfs/dbraw/zinc/23/14/12/252231412.db2.gz OSODKHXUXPTFPK-HIFRSBDPSA-N 2 1 346.475 1.629 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424470113 252242951 /nfs/dbraw/zinc/24/29/51/252242951.db2.gz AUMPKTLDCAORAF-YTQUADARSA-N 2 1 342.487 1.902 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000137460841 285010601 /nfs/dbraw/zinc/01/06/01/285010601.db2.gz PKSIBYDXMRVMRO-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000569808077 306521186 /nfs/dbraw/zinc/52/11/86/306521186.db2.gz HSCGBTZPPNLMOU-UHFFFAOYSA-N 2 1 334.464 1.398 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)[NH+]1CCOCC1 ZINC000569817455 306521695 /nfs/dbraw/zinc/52/16/95/306521695.db2.gz MRCFQNOTSRJXHH-MRXNPFEDSA-N 2 1 326.485 1.114 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246953426 285193519 /nfs/dbraw/zinc/19/35/19/285193519.db2.gz PGIJRMKURDFMQX-QZTJIDSGSA-N 2 1 336.524 1.489 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H](C)OC ZINC000341089045 285244335 /nfs/dbraw/zinc/24/43/35/285244335.db2.gz QXUGVXMJCRHANK-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000487179064 255027711 /nfs/dbraw/zinc/02/77/11/255027711.db2.gz CQDFHWMKDJPVFV-QAPCUYQASA-N 2 1 330.476 1.965 20 0 EDADMP CC[N@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)/C=C/C[NH+](C)C)C1 ZINC000493496052 255212029 /nfs/dbraw/zinc/21/20/29/255212029.db2.gz PCFRDAIWADXAOY-CMDGGOBGSA-N 2 1 339.480 1.415 20 0 EDADMP CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)/C=C/C[NH+](C)C)C1 ZINC000493496052 255212030 /nfs/dbraw/zinc/21/20/30/255212030.db2.gz PCFRDAIWADXAOY-CMDGGOBGSA-N 2 1 339.480 1.415 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)/C=C\c2ncc[nH]2)c1 ZINC000493302917 255202758 /nfs/dbraw/zinc/20/27/58/255202758.db2.gz MADFTNOPWJNTOG-IDTUSYRASA-N 2 1 339.399 1.511 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)/C=C\c2ncc[nH]2)c1 ZINC000493302917 255202759 /nfs/dbraw/zinc/20/27/59/255202759.db2.gz MADFTNOPWJNTOG-IDTUSYRASA-N 2 1 339.399 1.511 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)/C=C/c2ncc[nH]2)c1 ZINC000493302919 255202788 /nfs/dbraw/zinc/20/27/88/255202788.db2.gz MADFTNOPWJNTOG-LQYUOIDQSA-N 2 1 339.399 1.511 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)/C=C/c2ncc[nH]2)c1 ZINC000493302919 255202789 /nfs/dbraw/zinc/20/27/89/255202789.db2.gz MADFTNOPWJNTOG-LQYUOIDQSA-N 2 1 339.399 1.511 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)CC1 ZINC000496126277 255356092 /nfs/dbraw/zinc/35/60/92/255356092.db2.gz GDYCRXQTPJSDDK-QGZVFWFLSA-N 2 1 340.512 1.565 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418408030 285314886 /nfs/dbraw/zinc/31/48/86/285314886.db2.gz MFWHXMHPJDEDRE-CVEARBPZSA-N 2 1 339.528 1.219 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CCSC2)cc[nH+]1 ZINC000328650645 258020309 /nfs/dbraw/zinc/02/03/09/258020309.db2.gz VPLKFQRJJHSYTR-AVGNSLFASA-N 2 1 325.457 1.555 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000415923992 304285483 /nfs/dbraw/zinc/28/54/83/304285483.db2.gz VZDOTXFPBPTHSI-QGZVFWFLSA-N 2 1 346.475 1.982 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)[N@@H+](C)C1 ZINC000416240404 304299543 /nfs/dbraw/zinc/29/95/43/304299543.db2.gz JKVUEHRMUKTADT-BZSNNMDCSA-N 2 1 333.476 1.857 20 0 EDADMP CCn1nccc1/C=C/C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000269931573 140020373 /nfs/dbraw/zinc/02/03/73/140020373.db2.gz AXDCVLIUYHKLMW-QZEKMECESA-N 2 1 347.507 1.791 20 0 EDADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000271890270 140367872 /nfs/dbraw/zinc/36/78/72/140367872.db2.gz VRHAJIKZZUMNGE-AWEZNQCLSA-N 2 1 325.478 1.861 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC000571905726 306577159 /nfs/dbraw/zinc/57/71/59/306577159.db2.gz OPTWHCGXMQDRFD-HOTGVXAUSA-N 2 1 346.475 1.371 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000332327497 141163051 /nfs/dbraw/zinc/16/30/51/141163051.db2.gz QBYMZZWQSFAQNQ-GASCZTMLSA-N 2 1 334.464 1.539 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000332327497 141163052 /nfs/dbraw/zinc/16/30/52/141163052.db2.gz QBYMZZWQSFAQNQ-GASCZTMLSA-N 2 1 334.464 1.539 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000332346217 141166196 /nfs/dbraw/zinc/16/61/96/141166196.db2.gz PVTZIVIDKMGWLV-OIISXLGYSA-N 2 1 338.496 1.256 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@H](C)C1 ZINC000333260487 141288954 /nfs/dbraw/zinc/28/89/54/141288954.db2.gz DUISDPICGNUIGM-ZIAGYGMSSA-N 2 1 332.448 1.251 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000333356090 141304717 /nfs/dbraw/zinc/30/47/17/141304717.db2.gz KICZKCHLAQRJMB-HPBDAGMYSA-N 2 1 330.476 1.853 20 0 EDADMP [NH3+]C[C@H](C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccc(F)cc1 ZINC000333582456 141340409 /nfs/dbraw/zinc/34/04/09/141340409.db2.gz OBBZFFSPNHPWQJ-NXHRZFHOSA-N 3 1 333.451 1.568 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N1CC(=O)Nc3ccccc31)CC[NH2+]CC2 ZINC000333608618 141344230 /nfs/dbraw/zinc/34/42/30/141344230.db2.gz RPJJSQPVDWSNJQ-CQSZACIVSA-N 2 1 342.443 1.436 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000333644684 141349580 /nfs/dbraw/zinc/34/95/80/141349580.db2.gz IVDZRTFAXGFLPZ-UXLLHSPISA-N 2 1 336.480 1.189 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000333644684 141349582 /nfs/dbraw/zinc/34/95/82/141349582.db2.gz IVDZRTFAXGFLPZ-UXLLHSPISA-N 2 1 336.480 1.189 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000333673266 141354207 /nfs/dbraw/zinc/35/42/07/141354207.db2.gz NNBRSTRQALRRIF-RCCFBDPRSA-N 2 1 330.476 1.825 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1Cc1ccccc1 ZINC000333673266 141354208 /nfs/dbraw/zinc/35/42/08/141354208.db2.gz NNBRSTRQALRRIF-RCCFBDPRSA-N 2 1 330.476 1.825 20 0 EDADMP C[C@H](NC(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1cccs1 ZINC000333828618 141389340 /nfs/dbraw/zinc/38/93/40/141389340.db2.gz JANCRCBUCWBPEZ-ZNMIVQPWSA-N 2 1 349.500 1.626 20 0 EDADMP COC[C@@H]1CCN1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000339281649 142003285 /nfs/dbraw/zinc/00/32/85/142003285.db2.gz HXODBWKZACOSPT-AEFFLSMTSA-N 2 1 331.460 1.613 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn2cc[nH+]c12 ZINC000339865556 142182690 /nfs/dbraw/zinc/18/26/90/142182690.db2.gz MEFCWFKUDZHINZ-DZGCQCFKSA-N 2 1 341.415 1.324 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cn2cc[nH+]c12 ZINC000339865556 142182691 /nfs/dbraw/zinc/18/26/91/142182691.db2.gz MEFCWFKUDZHINZ-DZGCQCFKSA-N 2 1 341.415 1.324 20 0 EDADMP C[C@H](CC1CCOCC1)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000340684256 142459601 /nfs/dbraw/zinc/45/96/01/142459601.db2.gz WRFMRKPSKKLOKI-NVXWUHKLSA-N 2 1 325.497 1.759 20 0 EDADMP CC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 ZINC000345108271 143051304 /nfs/dbraw/zinc/05/13/04/143051304.db2.gz RPGKKYOYAOPFFF-IEBWSBKVSA-N 2 1 328.460 1.960 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000345730631 143126645 /nfs/dbraw/zinc/12/66/45/143126645.db2.gz FRRDFEXMTVBEJV-QZWWFDLISA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000345736980 143127175 /nfs/dbraw/zinc/12/71/75/143127175.db2.gz FPPOWQMHPQMNHB-CABCVRRESA-N 2 1 326.485 1.004 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@@H]3CCC[NH+](C)[C@H]3C)CC2)CCO1 ZINC000345780983 143132791 /nfs/dbraw/zinc/13/27/91/143132791.db2.gz MZTAUSOYJBMXHG-HLLBOEOZSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)N[C@@H]3CCC[N@H+](C)[C@H]3C)CC2)CCO1 ZINC000345780983 143132792 /nfs/dbraw/zinc/13/27/92/143132792.db2.gz MZTAUSOYJBMXHG-HLLBOEOZSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)[C@H]3C)CC2)CCO1 ZINC000345780983 143132793 /nfs/dbraw/zinc/13/27/93/143132793.db2.gz MZTAUSOYJBMXHG-HLLBOEOZSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)sc2C1 ZINC000347111483 143283922 /nfs/dbraw/zinc/28/39/22/143283922.db2.gz QOJYSBLETRNJRA-OLZOCXBDSA-N 2 1 336.505 1.555 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347117929 143284497 /nfs/dbraw/zinc/28/44/97/143284497.db2.gz XMPOOZJRMFTLGD-HNNXBMFYSA-N 2 1 345.422 1.298 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000347153367 143288508 /nfs/dbraw/zinc/28/85/08/143288508.db2.gz CFQNCFFJMUVVKM-LLVKDONJSA-N 2 1 330.354 1.387 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000347153367 143288509 /nfs/dbraw/zinc/28/85/09/143288509.db2.gz CFQNCFFJMUVVKM-LLVKDONJSA-N 2 1 330.354 1.387 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC[N@H+]1CC=CCC1 ZINC000347271799 143302428 /nfs/dbraw/zinc/30/24/28/143302428.db2.gz VFNBTHBUXARHHJ-UHFFFAOYSA-N 2 1 342.487 1.182 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC[N@@H+]1CC=CCC1 ZINC000347271799 143302429 /nfs/dbraw/zinc/30/24/29/143302429.db2.gz VFNBTHBUXARHHJ-UHFFFAOYSA-N 2 1 342.487 1.182 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000348077133 143398228 /nfs/dbraw/zinc/39/82/28/143398228.db2.gz FVWIFUCMWMRNRS-IRXDYDNUSA-N 2 1 346.454 1.916 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000348077133 143398229 /nfs/dbraw/zinc/39/82/29/143398229.db2.gz FVWIFUCMWMRNRS-IRXDYDNUSA-N 2 1 346.454 1.916 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000416842136 304350487 /nfs/dbraw/zinc/35/04/87/304350487.db2.gz MSETWADNOOUMSQ-AEFFLSMTSA-N 2 1 334.439 1.604 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000416842136 304350489 /nfs/dbraw/zinc/35/04/89/304350489.db2.gz MSETWADNOOUMSQ-AEFFLSMTSA-N 2 1 334.439 1.604 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)CC[N@H+]1C ZINC000369851095 155203670 /nfs/dbraw/zinc/20/36/70/155203670.db2.gz IOSMZUZDWJZKQI-OAGGEKHMSA-N 2 1 343.479 1.413 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000416867010 304353019 /nfs/dbraw/zinc/35/30/19/304353019.db2.gz KVVVDMFLXPORKI-CVEARBPZSA-N 2 1 328.501 1.358 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000352637262 149097100 /nfs/dbraw/zinc/09/71/00/149097100.db2.gz NIZUMEYEMCMYLJ-QGZVFWFLSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCSCC1)[N@@H+]1CCCC[C@H]1C ZINC000352657161 149103004 /nfs/dbraw/zinc/10/30/04/149103004.db2.gz SPWLJUKVFIOJLW-HUUCEWRRSA-N 2 1 328.526 1.597 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCSCC1)[N@H+]1CCCC[C@H]1C ZINC000352657161 149103006 /nfs/dbraw/zinc/10/30/06/149103006.db2.gz SPWLJUKVFIOJLW-HUUCEWRRSA-N 2 1 328.526 1.597 20 0 EDADMP Cn1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(C2CCCCC2)n1 ZINC000352720483 149128256 /nfs/dbraw/zinc/12/82/56/149128256.db2.gz NEIORMCONKFJQL-SFHVURJKSA-N 2 1 331.508 1.947 20 0 EDADMP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000369915593 155230928 /nfs/dbraw/zinc/23/09/28/155230928.db2.gz HHTWWFQMTIQBRS-SJLPKXTDSA-N 2 1 330.476 1.846 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000369915593 155230933 /nfs/dbraw/zinc/23/09/33/155230933.db2.gz HHTWWFQMTIQBRS-SJLPKXTDSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000369915593 155230937 /nfs/dbraw/zinc/23/09/37/155230937.db2.gz HHTWWFQMTIQBRS-SJLPKXTDSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000369915593 155230942 /nfs/dbraw/zinc/23/09/42/155230942.db2.gz HHTWWFQMTIQBRS-SJLPKXTDSA-N 2 1 330.476 1.846 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000416959848 304355194 /nfs/dbraw/zinc/35/51/94/304355194.db2.gz ZLBHXAULCYFTJK-CAOSSQGBSA-N 2 1 326.485 1.112 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)CCO1 ZINC000354915730 150030097 /nfs/dbraw/zinc/03/00/97/150030097.db2.gz FSPXHAWZJWMILB-LXTVHRRPSA-N 2 1 337.443 1.617 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H](c3ccccc3)N(C)C)[C@@H]2C1 ZINC000355378107 150241625 /nfs/dbraw/zinc/24/16/25/150241625.db2.gz ZVFZMKWMEBYIQW-SQNIBIBYSA-N 2 1 331.460 1.611 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC000355378107 150241629 /nfs/dbraw/zinc/24/16/29/150241629.db2.gz ZVFZMKWMEBYIQW-SQNIBIBYSA-N 2 1 331.460 1.611 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417034002 304363801 /nfs/dbraw/zinc/36/38/01/304363801.db2.gz RPFYFPZKOKPCMR-OALUTQOASA-N 2 1 342.487 1.828 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000417040483 304365270 /nfs/dbraw/zinc/36/52/70/304365270.db2.gz XWHJXJIYCDMRQL-JKSUJKDBSA-N 2 1 348.491 1.710 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000357823055 151162916 /nfs/dbraw/zinc/16/29/16/151162916.db2.gz AETMPDDGYWJYMU-KRWDZBQOSA-N 2 1 341.544 1.432 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357823055 151162917 /nfs/dbraw/zinc/16/29/17/151162917.db2.gz AETMPDDGYWJYMU-KRWDZBQOSA-N 2 1 341.544 1.432 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000357823055 151162919 /nfs/dbraw/zinc/16/29/19/151162919.db2.gz AETMPDDGYWJYMU-KRWDZBQOSA-N 2 1 341.544 1.432 20 0 EDADMP COCC1(CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000417323960 292242075 /nfs/dbraw/zinc/24/20/75/292242075.db2.gz IBJFIYNEWMURBL-CVEARBPZSA-N 2 1 340.512 1.422 20 0 EDADMP COc1ccc(OC)c(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358508920 151399596 /nfs/dbraw/zinc/39/95/96/151399596.db2.gz MHULIBPGRXZCTH-UHFFFAOYSA-N 2 1 333.432 1.718 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000417112576 304373242 /nfs/dbraw/zinc/37/32/42/304373242.db2.gz MKPYCEWHOWHBTO-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000417114841 304374011 /nfs/dbraw/zinc/37/40/11/304374011.db2.gz OHEXNFDLVHFVQD-PMPSAXMXSA-N 2 1 348.491 1.832 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360745764 152182148 /nfs/dbraw/zinc/18/21/48/152182148.db2.gz NDJDNXYILYIISI-NVXWUHKLSA-N 2 1 342.553 1.940 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000360789563 152205904 /nfs/dbraw/zinc/20/59/04/152205904.db2.gz VOXDIKZGISYEEO-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000361166887 152324971 /nfs/dbraw/zinc/32/49/71/152324971.db2.gz JDTBBVHPVQLVLP-KRWDZBQOSA-N 2 1 346.475 1.583 20 0 EDADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)COC2 ZINC000361184906 152328450 /nfs/dbraw/zinc/32/84/50/152328450.db2.gz ZOADWPLQRCHOOY-GOEBONIOSA-N 2 1 331.460 1.955 20 0 EDADMP COC[C@H](C)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363591105 153007417 /nfs/dbraw/zinc/00/74/17/153007417.db2.gz ALELXOMZDBYJHV-HNNXBMFYSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ncccn1 ZINC000363708462 153035039 /nfs/dbraw/zinc/03/50/39/153035039.db2.gz SUEYGCZZJQITGS-CAOSSQGBSA-N 2 1 347.463 1.283 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000363863375 153079043 /nfs/dbraw/zinc/07/90/43/153079043.db2.gz UGJLQEIYZAFAKI-BEFAXECRSA-N 2 1 342.487 1.893 20 0 EDADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CCCCO2)CCN1C1CC[NH+](C)CC1 ZINC000364461279 153243606 /nfs/dbraw/zinc/24/36/06/153243606.db2.gz LIMGORZYDKMUHY-SJLPKXTDSA-N 2 1 325.497 1.630 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[NH+]1CCSCC1 ZINC000364556614 153268803 /nfs/dbraw/zinc/26/88/03/153268803.db2.gz ZYBFCNLBEOMMRN-XIRDDKMYSA-N 2 1 348.516 1.628 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[NH+]1CCSCC1 ZINC000364556614 153268805 /nfs/dbraw/zinc/26/88/05/153268805.db2.gz ZYBFCNLBEOMMRN-XIRDDKMYSA-N 2 1 348.516 1.628 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)/C=C/C[NH+](C)C ZINC000364717696 153311401 /nfs/dbraw/zinc/31/14/01/153311401.db2.gz QYVREUMXJLTQOT-AWOXUWAMSA-N 2 1 333.480 1.379 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[NH+](C)[C@H]3C2)C1 ZINC000364927151 153373120 /nfs/dbraw/zinc/37/31/20/153373120.db2.gz WEMSVNFAROLBRZ-ZACQAIPSSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)C1 ZINC000364927151 153373122 /nfs/dbraw/zinc/37/31/22/153373122.db2.gz WEMSVNFAROLBRZ-ZACQAIPSSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)C1 ZINC000364927151 153373123 /nfs/dbraw/zinc/37/31/23/153373123.db2.gz WEMSVNFAROLBRZ-ZACQAIPSSA-N 2 1 338.496 1.079 20 0 EDADMP COC[C@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000367212004 154043305 /nfs/dbraw/zinc/04/33/05/154043305.db2.gz GWPMCBDNTHPTIF-KRWDZBQOSA-N 2 1 333.476 1.654 20 0 EDADMP C[N@@H+](C[C@H]1CC12CCN(C(=O)NC1CC[NH+](C)CC1)CC2)C1CC1 ZINC000367222173 154046835 /nfs/dbraw/zinc/04/68/35/154046835.db2.gz ZIJNYKFQJSEMDP-OAHLLOKOSA-N 2 1 334.508 1.987 20 0 EDADMP COC(=O)C(C)(C)CC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000367257511 154057012 /nfs/dbraw/zinc/05/70/12/154057012.db2.gz JEBKYVSWPFRSFD-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP COC(=O)C(C)(C)CC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000367257511 154057013 /nfs/dbraw/zinc/05/70/13/154057013.db2.gz JEBKYVSWPFRSFD-INIZCTEOSA-N 2 1 325.497 1.678 20 0 EDADMP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000367641866 154209129 /nfs/dbraw/zinc/20/91/29/154209129.db2.gz FTYUGXCTDCVHJD-MSOLQXFVSA-N 2 1 331.460 1.393 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@@H]2COCC[NH2+]2)cc1F ZINC000367651557 154214529 /nfs/dbraw/zinc/21/45/29/154214529.db2.gz SXBSXNLQCGBLCH-IUODEOHRSA-N 2 1 346.406 1.876 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)CC1 ZINC000368069026 154394562 /nfs/dbraw/zinc/39/45/62/154394562.db2.gz DDVNTTISEKXMIC-AEFFLSMTSA-N 2 1 337.508 1.865 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)CC1 ZINC000368069026 154394565 /nfs/dbraw/zinc/39/45/65/154394565.db2.gz DDVNTTISEKXMIC-AEFFLSMTSA-N 2 1 337.508 1.865 20 0 EDADMP O[C@H](COCc1ccccc1)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000369656505 155121855 /nfs/dbraw/zinc/12/18/55/155121855.db2.gz KMZTVMXLPDSGMF-FYQPLNBISA-N 2 1 330.472 1.980 20 0 EDADMP O[C@H](COCc1ccccc1)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369656505 155121863 /nfs/dbraw/zinc/12/18/63/155121863.db2.gz KMZTVMXLPDSGMF-FYQPLNBISA-N 2 1 330.472 1.980 20 0 EDADMP O[C@H](COCc1ccccc1)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369656505 155121865 /nfs/dbraw/zinc/12/18/65/155121865.db2.gz KMZTVMXLPDSGMF-FYQPLNBISA-N 2 1 330.472 1.980 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000074616377 292335450 /nfs/dbraw/zinc/33/54/50/292335450.db2.gz PJCYQOIOSZWBPT-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000374460355 157298059 /nfs/dbraw/zinc/29/80/59/157298059.db2.gz GBLUTKJQLDEHNP-NXHRZFHOSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374512066 157311900 /nfs/dbraw/zinc/31/19/00/157311900.db2.gz FKDOHFQRNLDILW-TVFCKZIOSA-N 2 1 337.508 1.412 20 0 EDADMP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374512066 157311905 /nfs/dbraw/zinc/31/19/05/157311905.db2.gz FKDOHFQRNLDILW-TVFCKZIOSA-N 2 1 337.508 1.412 20 0 EDADMP C[C@H]1CN=C(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)S1 ZINC000377891808 158021358 /nfs/dbraw/zinc/02/13/58/158021358.db2.gz DFOICZCVQLJENG-STQMWFEESA-N 2 1 333.461 1.396 20 0 EDADMP CN1CCc2ncnc(N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)c2C1 ZINC000378155920 158094516 /nfs/dbraw/zinc/09/45/16/158094516.db2.gz UKDXCJNJFPDHMX-IAGOWNOFSA-N 2 1 331.464 1.520 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000378205079 158108917 /nfs/dbraw/zinc/10/89/17/158108917.db2.gz MIBQAMSJNXEAPH-QZTJIDSGSA-N 2 1 330.476 1.091 20 0 EDADMP CC(C)CCN1C(=O)C[C@H]([N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000378283759 158129278 /nfs/dbraw/zinc/12/92/78/158129278.db2.gz OROZMOZGXNLKKT-SJORKVTESA-N 2 1 335.492 1.824 20 0 EDADMP Cc1[nH+]ccn1-c1cncc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1 ZINC000408355593 158340013 /nfs/dbraw/zinc/34/00/13/158340013.db2.gz SLQVRIZKRZRHAK-CQSZACIVSA-N 2 1 342.447 1.660 20 0 EDADMP Cc1[nH+]ccn1-c1cncc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1 ZINC000408355593 158340016 /nfs/dbraw/zinc/34/00/16/158340016.db2.gz SLQVRIZKRZRHAK-CQSZACIVSA-N 2 1 342.447 1.660 20 0 EDADMP C[C@H](c1ccc(NC(=O)NC[C@H]2CCC[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000576089987 306677374 /nfs/dbraw/zinc/67/73/74/306677374.db2.gz CLBKCNFNZKXCJB-RHSMWYFYSA-N 2 1 332.448 1.953 20 0 EDADMP COCC[N@H+](C)CC[C@H](NC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000352352117 162134661 /nfs/dbraw/zinc/13/46/61/162134661.db2.gz DBWODDNKAYUOPB-SFHVURJKSA-N 2 1 348.491 1.653 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000352352117 162134663 /nfs/dbraw/zinc/13/46/63/162134663.db2.gz DBWODDNKAYUOPB-SFHVURJKSA-N 2 1 348.491 1.653 20 0 EDADMP CCOC(=O)COCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352365867 162143410 /nfs/dbraw/zinc/14/34/10/162143410.db2.gz XZXHWMVZFXXHKS-ROUUACIJSA-N 2 1 332.444 1.630 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000352488336 162208334 /nfs/dbraw/zinc/20/83/34/162208334.db2.gz OXUMGHAYXQSQKG-KRWDZBQOSA-N 2 1 345.491 1.324 20 0 EDADMP [NH3+]CCC[N@@H+](CCNS(=O)(=O)c1ccccc1)CC1CCCC1 ZINC000352503240 162216205 /nfs/dbraw/zinc/21/62/05/162216205.db2.gz DBFVMSCRVXRBKN-UHFFFAOYSA-N 2 1 339.505 1.806 20 0 EDADMP Cn1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(-c2ccccc2)n1 ZINC000352526033 162230532 /nfs/dbraw/zinc/23/05/32/162230532.db2.gz JMQQHVZVJCTWFR-SFHVURJKSA-N 2 1 325.460 1.567 20 0 EDADMP COc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1O ZINC000364229579 162322458 /nfs/dbraw/zinc/32/24/58/162322458.db2.gz HSMKGGINHIZNLB-ZDUSSCGKSA-N 2 1 333.432 1.299 20 0 EDADMP COc1cccc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1O ZINC000364229579 162322460 /nfs/dbraw/zinc/32/24/60/162322460.db2.gz HSMKGGINHIZNLB-ZDUSSCGKSA-N 2 1 333.432 1.299 20 0 EDADMP O=C(NCCCNc1ccccn1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000365182698 162352808 /nfs/dbraw/zinc/35/28/08/162352808.db2.gz HQOCJPVIIQEYGL-LSDHHAIUSA-N 2 1 333.436 1.046 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000366000092 162366233 /nfs/dbraw/zinc/36/62/33/162366233.db2.gz KLPHFEQCIONPCN-QGZVFWFLSA-N 2 1 325.497 1.676 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000366000092 162366236 /nfs/dbraw/zinc/36/62/36/162366236.db2.gz KLPHFEQCIONPCN-QGZVFWFLSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000349526278 287089892 /nfs/dbraw/zinc/08/98/92/287089892.db2.gz QAIHISLZDWVPSY-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP CSc1ccc([C@@H](CNC(=O)NCC(F)(F)C[NH3+])[NH+](C)C)cc1 ZINC000418229382 304467393 /nfs/dbraw/zinc/46/73/93/304467393.db2.gz GTADFKCZTYHWHO-CYBMUJFWSA-N 2 1 346.447 1.904 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000073676539 287262832 /nfs/dbraw/zinc/26/28/32/287262832.db2.gz QSIQEVRMQSBGGA-QGZVFWFLSA-N 2 1 340.512 1.472 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)[C@H](C)C1 ZINC000081096955 287311148 /nfs/dbraw/zinc/31/11/48/287311148.db2.gz HAIMSQPEDLRRGY-RHSMWYFYSA-N 2 1 346.475 1.776 20 0 EDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)[C@H](C)C1 ZINC000081096955 287311152 /nfs/dbraw/zinc/31/11/52/287311152.db2.gz HAIMSQPEDLRRGY-RHSMWYFYSA-N 2 1 346.475 1.776 20 0 EDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)[C@H](C)C1 ZINC000081096955 287311154 /nfs/dbraw/zinc/31/11/54/287311154.db2.gz HAIMSQPEDLRRGY-RHSMWYFYSA-N 2 1 346.475 1.776 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000120826790 287364774 /nfs/dbraw/zinc/36/47/74/287364774.db2.gz DXKGOGIRBYKUET-GOSISDBHSA-N 2 1 326.444 1.980 20 0 EDADMP O=C(NCC[C@H]1CC[NH2+]C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000418330300 304481157 /nfs/dbraw/zinc/48/11/57/304481157.db2.gz BZRRHRVDGRTVEL-OAHLLOKOSA-N 2 1 336.505 1.617 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](C1CC1)C(F)(F)F ZINC000665762781 452338973 /nfs/dbraw/zinc/33/89/73/452338973.db2.gz PQFVGIBJFIKLJV-WCQYABFASA-N 2 1 338.418 1.899 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](C1CC1)C(F)(F)F ZINC000665762781 452338967 /nfs/dbraw/zinc/33/89/67/452338967.db2.gz PQFVGIBJFIKLJV-WCQYABFASA-N 2 1 338.418 1.899 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3C[NH2+]CCO3)c2)C[C@@H](C)O1 ZINC000237426636 273010135 /nfs/dbraw/zinc/01/01/35/273010135.db2.gz KYPOMHDVNSESIH-CKEIUWERSA-N 2 1 333.432 1.223 20 0 EDADMP C[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000237546578 273010730 /nfs/dbraw/zinc/01/07/30/273010730.db2.gz PAODJTPUYMGRDW-YJBOKZPZSA-N 2 1 331.460 1.318 20 0 EDADMP C[C@H]1C[NH+](CCC2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)C[C@H](C)O1 ZINC000237607024 273011109 /nfs/dbraw/zinc/01/11/09/273011109.db2.gz MQXDRIIMYUVTHH-OFQRWUPVSA-N 2 1 341.521 1.387 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@H]1CC[C@H](O)CC1)c1ccccc1 ZINC000275866188 268379993 /nfs/dbraw/zinc/37/99/93/268379993.db2.gz NGRGLZZDQZNZJF-BZSNNMDCSA-N 2 1 333.476 1.641 20 0 EDADMP O=C(CN(CCO)C1CCC1)N1CCN(Cc2ccccc2)CC1 ZINC000275919270 273134445 /nfs/dbraw/zinc/13/44/45/273134445.db2.gz ZALZLEDIZLFTKQ-UHFFFAOYSA-N 2 1 331.460 1.178 20 0 EDADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000277120639 273180785 /nfs/dbraw/zinc/18/07/85/273180785.db2.gz HTZJKOXWYAGWMG-CQSZACIVSA-N 2 1 341.477 1.129 20 0 EDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000277120639 273180786 /nfs/dbraw/zinc/18/07/86/273180786.db2.gz HTZJKOXWYAGWMG-CQSZACIVSA-N 2 1 341.477 1.129 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2cncnc2)cc[nH+]1 ZINC000354935202 273825883 /nfs/dbraw/zinc/82/58/83/273825883.db2.gz PARKJMFVWDVAPS-KBPBESRZSA-N 2 1 331.399 1.039 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000283893248 274000741 /nfs/dbraw/zinc/00/07/41/274000741.db2.gz JDUSJBQSUHIECJ-OAHLLOKOSA-N 2 1 349.479 1.031 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000262598862 287854751 /nfs/dbraw/zinc/85/47/51/287854751.db2.gz MXOCOYSQRVVRIV-NCOADZHNSA-N 2 1 327.513 1.952 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000363672125 276153028 /nfs/dbraw/zinc/15/30/28/276153028.db2.gz MPXWYZFQVHJSGJ-QZTJIDSGSA-N 2 1 336.524 1.347 20 0 EDADMP CC[NH+]1CCN(CC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000349644250 276193697 /nfs/dbraw/zinc/19/36/97/276193697.db2.gz HOQCUPPJVZWQBO-GOSISDBHSA-N 2 1 346.519 1.651 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000354873693 276251242 /nfs/dbraw/zinc/25/12/42/276251242.db2.gz BZCBEAFIIACGJY-AWEZNQCLSA-N 2 1 346.475 1.807 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000354873693 276251244 /nfs/dbraw/zinc/25/12/44/276251244.db2.gz BZCBEAFIIACGJY-AWEZNQCLSA-N 2 1 346.475 1.807 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000354873693 276251247 /nfs/dbraw/zinc/25/12/47/276251247.db2.gz BZCBEAFIIACGJY-AWEZNQCLSA-N 2 1 346.475 1.807 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000354873693 276251250 /nfs/dbraw/zinc/25/12/50/276251250.db2.gz BZCBEAFIIACGJY-AWEZNQCLSA-N 2 1 346.475 1.807 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)F)C[C@H]1Cc1ccccc1 ZINC000418730986 277092418 /nfs/dbraw/zinc/09/24/18/277092418.db2.gz IEUKJSIGAJYYLP-HUUCEWRRSA-N 2 1 340.418 1.537 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)F)C[C@H]1Cc1ccccc1 ZINC000418730986 277092421 /nfs/dbraw/zinc/09/24/21/277092421.db2.gz IEUKJSIGAJYYLP-HUUCEWRRSA-N 2 1 340.418 1.537 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)cn2)CC1 ZINC000370725269 277114272 /nfs/dbraw/zinc/11/42/72/277114272.db2.gz QMYYNHYDAULSHY-GOSISDBHSA-N 2 1 345.491 1.477 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](C4CCOCC4)C3)cn2)CC1 ZINC000370725269 277114274 /nfs/dbraw/zinc/11/42/74/277114274.db2.gz QMYYNHYDAULSHY-GOSISDBHSA-N 2 1 345.491 1.477 20 0 EDADMP CC(C)[C@@H](CCO)[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000355051202 277735604 /nfs/dbraw/zinc/73/56/04/277735604.db2.gz MTHUPNJEIUGZQW-IEBWSBKVSA-N 2 1 347.503 1.888 20 0 EDADMP CC(C)[C@H](C(=O)NCC1(C)CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000356986559 277866208 /nfs/dbraw/zinc/86/62/08/277866208.db2.gz RCZQKZJHYUVJKN-BRWVUGGUSA-N 2 1 339.524 1.968 20 0 EDADMP C[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[N@@H+]1CCc2sccc2C1 ZINC000237546616 278269977 /nfs/dbraw/zinc/26/99/77/278269977.db2.gz NXAWIKJNMVRTTN-ZFWWWQNUSA-N 2 1 337.489 1.380 20 0 EDADMP C[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[N@H+]1CCc2sccc2C1 ZINC000237546616 278269980 /nfs/dbraw/zinc/26/99/80/278269980.db2.gz NXAWIKJNMVRTTN-ZFWWWQNUSA-N 2 1 337.489 1.380 20 0 EDADMP C[C@](CO)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000423072024 278552942 /nfs/dbraw/zinc/55/29/42/278552942.db2.gz IQAJTEGNJYABRA-MTQWCTHYSA-N 2 1 332.488 1.974 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]([NH3+])C2CC2)[C@@H]1c1ccccc1 ZINC000418161502 279386041 /nfs/dbraw/zinc/38/60/41/279386041.db2.gz BVLIZYILVGJZLK-SQNIBIBYSA-N 2 1 346.475 1.485 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]([NH3+])C2CC2)[C@@H]1c1ccccc1 ZINC000418161502 279386045 /nfs/dbraw/zinc/38/60/45/279386045.db2.gz BVLIZYILVGJZLK-SQNIBIBYSA-N 2 1 346.475 1.485 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C3([NH3+])CCCC3)CC2)C[C@H](C)O1 ZINC000237605005 288156288 /nfs/dbraw/zinc/15/62/88/288156288.db2.gz HSPLCFHGTIPXGK-IYBDPMFKSA-N 2 1 337.508 1.996 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H]1C ZINC000287349480 288215996 /nfs/dbraw/zinc/21/59/96/288215996.db2.gz MOHHOWNWPUHWEU-WMZOPIPTSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000287349480 288215998 /nfs/dbraw/zinc/21/59/98/288215998.db2.gz MOHHOWNWPUHWEU-WMZOPIPTSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000287349480 288216000 /nfs/dbraw/zinc/21/60/00/288216000.db2.gz MOHHOWNWPUHWEU-WMZOPIPTSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000345708530 288217504 /nfs/dbraw/zinc/21/75/04/288217504.db2.gz JHKIJTVFVITYIU-VHDGCEQUSA-N 2 1 325.403 1.996 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000287629782 288279290 /nfs/dbraw/zinc/27/92/90/288279290.db2.gz YTXWVEHUDJNZDU-DLBZAZTESA-N 2 1 347.507 1.446 20 0 EDADMP Cc1ccc([C@@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000371569285 280951197 /nfs/dbraw/zinc/95/11/97/280951197.db2.gz LGYVTWZIQBVXIO-SFHVURJKSA-N 2 1 334.460 1.188 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000287676487 288292832 /nfs/dbraw/zinc/29/28/32/288292832.db2.gz IYUJKUFAZGEDRB-CGTJXYLNSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000287676487 288292833 /nfs/dbraw/zinc/29/28/33/288292833.db2.gz IYUJKUFAZGEDRB-CGTJXYLNSA-N 2 1 346.475 1.140 20 0 EDADMP C[NH+](C)C1(CNC(=O)NCC[N@H+](C)C2CC2)Cc2ccccc2C1 ZINC000266861130 282035296 /nfs/dbraw/zinc/03/52/96/282035296.db2.gz SDIMYZDTAQHJJN-UHFFFAOYSA-N 2 1 330.476 1.479 20 0 EDADMP CN(C)C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000422789034 289060490 /nfs/dbraw/zinc/06/04/90/289060490.db2.gz SWJWYGKQYNCHCX-VAMGGRTRSA-N 2 1 343.515 1.832 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000292489513 289361785 /nfs/dbraw/zinc/36/17/85/289361785.db2.gz OBRJIYWUXQCFEV-SQNIBIBYSA-N 2 1 329.444 1.098 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000292489513 289361786 /nfs/dbraw/zinc/36/17/86/289361786.db2.gz OBRJIYWUXQCFEV-SQNIBIBYSA-N 2 1 329.444 1.098 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)COC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343876982 297011683 /nfs/dbraw/zinc/01/16/83/297011683.db2.gz WQQSEFCLCCANKM-BRWVUGGUSA-N 2 1 327.513 1.120 20 0 EDADMP CS(=O)(=O)[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000662298212 453021009 /nfs/dbraw/zinc/02/10/09/453021009.db2.gz MSOAEUSYMWADIX-VXGBXAGGSA-N 2 1 328.400 1.283 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000422633364 297367258 /nfs/dbraw/zinc/36/72/58/297367258.db2.gz HZTPBDVZMWBVSF-UKBAYJJMSA-N 3 1 346.519 1.711 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000422633364 297367259 /nfs/dbraw/zinc/36/72/59/297367259.db2.gz HZTPBDVZMWBVSF-UKBAYJJMSA-N 3 1 346.519 1.711 20 0 EDADMP CC[NH+]1CCN(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000448445006 447319763 /nfs/dbraw/zinc/31/97/63/447319763.db2.gz DHARMHCOMVNAHQ-FUHWJXTLSA-N 2 1 334.508 1.099 20 0 EDADMP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)ccc1S(C)(=O)=O ZINC000293761713 303014642 /nfs/dbraw/zinc/01/46/42/303014642.db2.gz SDNOUUSINYIXAG-STQMWFEESA-N 2 1 328.478 1.947 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cn2cc[nH+]c12 ZINC000294588332 303127758 /nfs/dbraw/zinc/12/77/58/303127758.db2.gz CSCBIGJBIBLWNL-HIFRSBDPSA-N 2 1 341.415 1.276 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cn2cc[nH+]c12 ZINC000294588332 303127760 /nfs/dbraw/zinc/12/77/60/303127760.db2.gz CSCBIGJBIBLWNL-HIFRSBDPSA-N 2 1 341.415 1.276 20 0 EDADMP CC(C)[NH+]1CCC(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000294937916 303155274 /nfs/dbraw/zinc/15/52/74/303155274.db2.gz HUYQZFSFFPTYIH-HXUWFJFHSA-N 3 1 331.504 1.868 20 0 EDADMP Cc1ccccc1CN1CCN(C(=O)C[N@H+](C)[C@H](C)C(C)(C)O)CC1 ZINC000295159257 303182097 /nfs/dbraw/zinc/18/20/97/303182097.db2.gz MYRAVHSEXALKTG-QGZVFWFLSA-N 2 1 347.503 1.730 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)C(C)(C)O)CC1 ZINC000295159257 303182098 /nfs/dbraw/zinc/18/20/98/303182098.db2.gz MYRAVHSEXALKTG-QGZVFWFLSA-N 2 1 347.503 1.730 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000295499928 303227030 /nfs/dbraw/zinc/22/70/30/303227030.db2.gz YIXBTTYGTHNBRQ-CQSZACIVSA-N 2 1 347.459 1.542 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414855788 447329474 /nfs/dbraw/zinc/32/94/74/447329474.db2.gz NQATVTZSKNOMTH-OKILXGFUSA-N 2 1 344.459 1.607 20 0 EDADMP C[C@@H](CNC(=O)N1CCN(CCO)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000458386118 447339581 /nfs/dbraw/zinc/33/95/81/447339581.db2.gz VWYFWTRVHUTJJQ-IRXDYDNUSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H](CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000458386118 447339584 /nfs/dbraw/zinc/33/95/84/447339584.db2.gz VWYFWTRVHUTJJQ-IRXDYDNUSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H](CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000458386118 447339590 /nfs/dbraw/zinc/33/95/90/447339590.db2.gz VWYFWTRVHUTJJQ-IRXDYDNUSA-N 2 1 348.491 1.215 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](CCO)C[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000458386118 447339596 /nfs/dbraw/zinc/33/95/96/447339596.db2.gz VWYFWTRVHUTJJQ-IRXDYDNUSA-N 2 1 348.491 1.215 20 0 EDADMP Cc1ccc(CCN2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)cc1 ZINC000377764614 447343172 /nfs/dbraw/zinc/34/31/72/447343172.db2.gz VEFOYJRLNHUTLX-ICSRJNTNSA-N 2 1 331.504 1.874 20 0 EDADMP Cc1ccc(CCN2CC[N@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)cc1 ZINC000377764614 447343178 /nfs/dbraw/zinc/34/31/78/447343178.db2.gz VEFOYJRLNHUTLX-ICSRJNTNSA-N 2 1 331.504 1.874 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422707119 304878945 /nfs/dbraw/zinc/87/89/45/304878945.db2.gz VSIKNQNMBBXHEF-UKRRQHHQSA-N 2 1 325.478 1.730 20 0 EDADMP CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422722585 304879183 /nfs/dbraw/zinc/87/91/83/304879183.db2.gz PHCSHACWQFLTTK-DZGCQCFKSA-N 2 1 339.505 1.980 20 0 EDADMP COc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1Br ZINC000423411704 304894742 /nfs/dbraw/zinc/89/47/42/304894742.db2.gz VCYVSFOYQYDEGE-UFGOTCBOSA-N 2 1 329.238 1.689 20 0 EDADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000423757965 304909129 /nfs/dbraw/zinc/90/91/29/304909129.db2.gz NFQLBKOWLSSIOW-AWEZNQCLSA-N 2 1 326.391 1.217 20 0 EDADMP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1OCC(=O)N1CCCC1 ZINC000414892890 447345920 /nfs/dbraw/zinc/34/59/20/447345920.db2.gz QHRKDPFLFKYHRA-INIZCTEOSA-N 2 1 347.459 1.523 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(CC)CC)CC1 ZINC000429291179 305027792 /nfs/dbraw/zinc/02/77/92/305027792.db2.gz SXTJZCLDGHEMQC-TWMKSMIVSA-N 2 1 339.524 1.968 20 0 EDADMP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000430586183 305057137 /nfs/dbraw/zinc/05/71/37/305057137.db2.gz VKPVJXZPNHLWHX-HIFRSBDPSA-N 2 1 335.448 1.379 20 0 EDADMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000430586183 305057138 /nfs/dbraw/zinc/05/71/38/305057138.db2.gz VKPVJXZPNHLWHX-HIFRSBDPSA-N 2 1 335.448 1.379 20 0 EDADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1C ZINC000430614466 305059251 /nfs/dbraw/zinc/05/92/51/305059251.db2.gz ZIAAETLBORIDJB-CVEARBPZSA-N 2 1 346.475 1.417 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430621642 305059554 /nfs/dbraw/zinc/05/95/54/305059554.db2.gz DWIQVPWDGUTKQO-MRXNPFEDSA-N 2 1 349.475 1.723 20 0 EDADMP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430621642 305059555 /nfs/dbraw/zinc/05/95/55/305059555.db2.gz DWIQVPWDGUTKQO-MRXNPFEDSA-N 2 1 349.475 1.723 20 0 EDADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652884 305061391 /nfs/dbraw/zinc/06/13/91/305061391.db2.gz XXHDAEHXWBWVHF-FGTMMUONSA-N 2 1 337.508 1.726 20 0 EDADMP CC[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000430759759 305064094 /nfs/dbraw/zinc/06/40/94/305064094.db2.gz FWOGEHSPYVPDER-MOPGFXCFSA-N 2 1 345.487 1.708 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COC1C[NH2+]C1 ZINC000430804218 305064960 /nfs/dbraw/zinc/06/49/60/305064960.db2.gz CIZSTPPJTYNBLM-QWHZDKJVSA-N 2 1 331.460 1.248 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[C@@H]([NH3+])[C@H](C)C3)CC2)c1 ZINC000430931520 305068769 /nfs/dbraw/zinc/06/87/69/305068769.db2.gz WNIQEZJPBQVPNX-IEBWSBKVSA-N 2 1 344.503 1.308 20 0 EDADMP [NH3+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430935419 305069335 /nfs/dbraw/zinc/06/93/35/305069335.db2.gz SUXPTBCYDXPLGV-CQSZACIVSA-N 2 1 330.432 1.423 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(Cc2nc(C(C)(C)N)no2)C1 ZINC000431070662 305074243 /nfs/dbraw/zinc/07/42/43/305074243.db2.gz LUNKIHCBWKLEFP-CYBMUJFWSA-N 3 1 325.457 1.196 20 0 EDADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433127766 305101237 /nfs/dbraw/zinc/10/12/37/305101237.db2.gz UIFMTGWVLLIPHA-BRWVUGGUSA-N 2 1 338.540 1.672 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433380838 305106941 /nfs/dbraw/zinc/10/69/41/305106941.db2.gz FVABQYDWELBZSF-FZKCQIBNSA-N 2 1 348.495 1.299 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C[C@@H]1C ZINC000433402269 305108029 /nfs/dbraw/zinc/10/80/29/305108029.db2.gz WTZYNFIOBTVLGA-HRCADAONSA-N 2 1 333.480 1.752 20 0 EDADMP CC(C)[NH+]1CCC(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CC1 ZINC000433533338 305110628 /nfs/dbraw/zinc/11/06/28/305110628.db2.gz KPDXWWLHUNCCCE-UHFFFAOYSA-N 2 1 332.496 1.537 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCSC1 ZINC000433919118 305114547 /nfs/dbraw/zinc/11/45/47/305114547.db2.gz KLPNICSRJXOVMC-WBVHZDCISA-N 2 1 340.537 1.740 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@H](O)C1 ZINC000434711682 305129210 /nfs/dbraw/zinc/12/92/10/305129210.db2.gz QRFCKHWYRPVJGE-JQHSSLGASA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@H](O)C1 ZINC000434711682 305129211 /nfs/dbraw/zinc/12/92/11/305129211.db2.gz QRFCKHWYRPVJGE-JQHSSLGASA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H](O)C1 ZINC000434711682 305129212 /nfs/dbraw/zinc/12/92/12/305129212.db2.gz QRFCKHWYRPVJGE-JQHSSLGASA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H](O)C1 ZINC000434711682 305129213 /nfs/dbraw/zinc/12/92/13/305129213.db2.gz QRFCKHWYRPVJGE-JQHSSLGASA-N 2 1 331.460 1.222 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)[NH+](C)C ZINC000435893319 305148863 /nfs/dbraw/zinc/14/88/63/305148863.db2.gz OZWBWHHYCBFGOT-SIXWZSSISA-N 2 1 331.460 1.804 20 0 EDADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436062772 305151916 /nfs/dbraw/zinc/15/19/16/305151916.db2.gz JRZXHZYQYFNKOE-JKSUJKDBSA-N 2 1 340.512 1.199 20 0 EDADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436062772 305151917 /nfs/dbraw/zinc/15/19/17/305151917.db2.gz JRZXHZYQYFNKOE-JKSUJKDBSA-N 2 1 340.512 1.199 20 0 EDADMP CC(C)c1cc(N2CCC([N@@H+](C)C[C@@H](C)O)CC2)nc(N(C)C)[nH+]1 ZINC000436448908 305157410 /nfs/dbraw/zinc/15/74/10/305157410.db2.gz DNOTXOZYEAPXRW-CQSZACIVSA-N 2 1 335.496 1.947 20 0 EDADMP CC(C)c1cc(N2CCC([N@H+](C)C[C@@H](C)O)CC2)nc(N(C)C)[nH+]1 ZINC000436448908 305157411 /nfs/dbraw/zinc/15/74/11/305157411.db2.gz DNOTXOZYEAPXRW-CQSZACIVSA-N 2 1 335.496 1.947 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C[N@H+]1C1CC1 ZINC000438891493 305190823 /nfs/dbraw/zinc/19/08/23/305190823.db2.gz UCMADLYCAGOARO-MRRJBJDNSA-N 2 1 326.444 1.779 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441338826 305221270 /nfs/dbraw/zinc/22/12/70/305221270.db2.gz XRBWTLSMYAHNSP-UHFFFAOYSA-N 3 1 342.491 1.691 20 0 EDADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441338826 305221271 /nfs/dbraw/zinc/22/12/71/305221271.db2.gz XRBWTLSMYAHNSP-UHFFFAOYSA-N 2 1 342.491 1.691 20 0 EDADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441338826 305221272 /nfs/dbraw/zinc/22/12/72/305221272.db2.gz XRBWTLSMYAHNSP-UHFFFAOYSA-N 2 1 342.491 1.691 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000442135132 305225835 /nfs/dbraw/zinc/22/58/35/305225835.db2.gz TWDMXMUNJISYJP-CZUORRHYSA-N 2 1 332.448 1.286 20 0 EDADMP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000442260412 305227467 /nfs/dbraw/zinc/22/74/67/305227467.db2.gz DFRRVLAEYWEKGW-HUUCEWRRSA-N 2 1 346.475 1.280 20 0 EDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000442260412 305227468 /nfs/dbraw/zinc/22/74/68/305227468.db2.gz DFRRVLAEYWEKGW-HUUCEWRRSA-N 2 1 346.475 1.280 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000442759147 305229639 /nfs/dbraw/zinc/22/96/39/305229639.db2.gz KJQXOXFIEMINIA-HUUCEWRRSA-N 2 1 327.432 1.158 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000442759147 305229640 /nfs/dbraw/zinc/22/96/40/305229640.db2.gz KJQXOXFIEMINIA-HUUCEWRRSA-N 2 1 327.432 1.158 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414899609 447349132 /nfs/dbraw/zinc/34/91/32/447349132.db2.gz CPKWCKBNSGBERD-INIZCTEOSA-N 2 1 344.459 1.274 20 0 EDADMP CC(C)c1cc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000443995069 305242615 /nfs/dbraw/zinc/24/26/15/305242615.db2.gz MLURCAFPACDMDE-AWEZNQCLSA-N 2 1 335.496 1.947 20 0 EDADMP CC(C)c1cc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000443995069 305242616 /nfs/dbraw/zinc/24/26/16/305242616.db2.gz MLURCAFPACDMDE-AWEZNQCLSA-N 2 1 335.496 1.947 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000444355140 305246726 /nfs/dbraw/zinc/24/67/26/305246726.db2.gz XLBQAFJALGOXPU-QAPCUYQASA-N 2 1 333.476 1.593 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000444355140 305246727 /nfs/dbraw/zinc/24/67/27/305246727.db2.gz XLBQAFJALGOXPU-QAPCUYQASA-N 2 1 333.476 1.593 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000449315963 305311354 /nfs/dbraw/zinc/31/13/54/305311354.db2.gz KVBNAOLHJVNGKJ-AZUAARDMSA-N 2 1 345.487 1.391 20 0 EDADMP CCC1([NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCCC1 ZINC000451270638 305335614 /nfs/dbraw/zinc/33/56/14/305335614.db2.gz CHDANZOSYSKGOO-MRXNPFEDSA-N 2 1 325.497 1.772 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H](O)C(C)(C)C)C2)CC1 ZINC000451528721 305351406 /nfs/dbraw/zinc/35/14/06/305351406.db2.gz MDTHMNLKIRNDLP-ZWKOTPCHSA-N 2 1 339.524 1.660 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H](O)C(C)(C)C)C2)CC1 ZINC000451528721 305351407 /nfs/dbraw/zinc/35/14/07/305351407.db2.gz MDTHMNLKIRNDLP-ZWKOTPCHSA-N 2 1 339.524 1.660 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)C(C)(C)C)C2)CC1 ZINC000451528721 305351408 /nfs/dbraw/zinc/35/14/08/305351408.db2.gz MDTHMNLKIRNDLP-ZWKOTPCHSA-N 2 1 339.524 1.660 20 0 EDADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)C(C)(C)C)C2)CC1 ZINC000451528721 305351409 /nfs/dbraw/zinc/35/14/09/305351409.db2.gz MDTHMNLKIRNDLP-ZWKOTPCHSA-N 2 1 339.524 1.660 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000452136954 305385013 /nfs/dbraw/zinc/38/50/13/305385013.db2.gz ZGVBVAQJSWECMS-AZUAARDMSA-N 2 1 347.503 1.276 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000452136954 305385014 /nfs/dbraw/zinc/38/50/14/305385014.db2.gz ZGVBVAQJSWECMS-AZUAARDMSA-N 2 1 347.503 1.276 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000452136954 305385015 /nfs/dbraw/zinc/38/50/15/305385015.db2.gz ZGVBVAQJSWECMS-AZUAARDMSA-N 2 1 347.503 1.276 20 0 EDADMP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+]1CCCO)c1ccccc1 ZINC000452346731 305390792 /nfs/dbraw/zinc/39/07/92/305390792.db2.gz HFRPOPAHELQQJM-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+]1CCCO)c1ccccc1 ZINC000452346731 305390793 /nfs/dbraw/zinc/39/07/93/305390793.db2.gz HFRPOPAHELQQJM-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000452346731 305390794 /nfs/dbraw/zinc/39/07/94/305390794.db2.gz HFRPOPAHELQQJM-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000452346731 305390795 /nfs/dbraw/zinc/39/07/95/305390795.db2.gz HFRPOPAHELQQJM-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000457390477 305487791 /nfs/dbraw/zinc/48/77/91/305487791.db2.gz BVQZAVHJOOIWEZ-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000419705471 447361764 /nfs/dbraw/zinc/36/17/64/447361764.db2.gz ZTQVYEMNFREITR-JKSUJKDBSA-N 2 1 340.512 1.103 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2nnnn2-c2ccccc2)[C@@H](C)C1 ZINC000533532562 306000364 /nfs/dbraw/zinc/00/03/64/306000364.db2.gz VCRVARNHTRTIIQ-RDJZCZTQSA-N 2 1 328.464 1.867 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2nnnn2-c2ccccc2)[C@@H](C)C1 ZINC000533532562 306000365 /nfs/dbraw/zinc/00/03/65/306000365.db2.gz VCRVARNHTRTIIQ-RDJZCZTQSA-N 2 1 328.464 1.867 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2nnnn2-c2ccccc2)[C@@H](C)C1 ZINC000533532562 306000366 /nfs/dbraw/zinc/00/03/66/306000366.db2.gz VCRVARNHTRTIIQ-RDJZCZTQSA-N 2 1 328.464 1.867 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2nnnn2-c2ccccc2)[C@@H](C)C1 ZINC000533532562 306000367 /nfs/dbraw/zinc/00/03/67/306000367.db2.gz VCRVARNHTRTIIQ-RDJZCZTQSA-N 2 1 328.464 1.867 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H]([NH+]3CCCC3)C1)n2C ZINC000537582897 306027794 /nfs/dbraw/zinc/02/77/94/306027794.db2.gz UCUPMJLVFQCUSV-ZDUSSCGKSA-N 2 1 342.447 1.345 20 0 EDADMP Cc1ncc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)[nH]1 ZINC000542013795 306050637 /nfs/dbraw/zinc/05/06/37/306050637.db2.gz QIANQAOFNFRRGQ-MRXNPFEDSA-N 2 1 328.416 1.605 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000543647392 306066298 /nfs/dbraw/zinc/06/62/98/306066298.db2.gz VZTYTHAJEBYIIL-INIZCTEOSA-N 2 1 348.491 1.721 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CCC(=O)NC(N)=O)cc1 ZINC000548832280 306139549 /nfs/dbraw/zinc/13/95/49/306139549.db2.gz XZEDCVCTUNFICM-AWEZNQCLSA-N 2 1 332.448 1.736 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000548918973 306142103 /nfs/dbraw/zinc/14/21/03/306142103.db2.gz KFCAIBHPAAKHQF-CYBMUJFWSA-N 2 1 337.386 1.194 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000548918973 306142104 /nfs/dbraw/zinc/14/21/04/306142104.db2.gz KFCAIBHPAAKHQF-CYBMUJFWSA-N 2 1 337.386 1.194 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC000551897189 306166431 /nfs/dbraw/zinc/16/64/31/306166431.db2.gz ZIHANEVJNLFAIN-ROUUACIJSA-N 2 1 349.523 1.869 20 0 EDADMP Cn1cc[nH+]c1N1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000553177356 306183358 /nfs/dbraw/zinc/18/33/58/306183358.db2.gz XVILTHDAUMPHGA-UHFFFAOYSA-N 2 1 341.459 1.487 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCSC1 ZINC000660826635 453589986 /nfs/dbraw/zinc/58/99/86/453589986.db2.gz QJNYZZYTMMHSFD-XJKSGUPXSA-N 2 1 328.526 1.596 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000422146295 447372547 /nfs/dbraw/zinc/37/25/47/447372547.db2.gz URGJHHPETRRKKW-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422146295 447372550 /nfs/dbraw/zinc/37/25/50/447372550.db2.gz URGJHHPETRRKKW-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000422146295 447372552 /nfs/dbraw/zinc/37/25/52/447372552.db2.gz URGJHHPETRRKKW-QZTJIDSGSA-N 2 1 330.476 1.997 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000415110763 447390484 /nfs/dbraw/zinc/39/04/84/447390484.db2.gz SVCVLVFRNSNCQS-WBVHZDCISA-N 2 1 330.476 1.761 20 0 EDADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378433618 447427742 /nfs/dbraw/zinc/42/77/42/447427742.db2.gz STJHJKPAAHTNMT-RTBURBONSA-N 2 1 335.467 1.959 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000046382205 441105123 /nfs/dbraw/zinc/10/51/23/441105123.db2.gz UONXQTSEKIZEJS-INIZCTEOSA-N 2 1 331.464 1.645 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000080458230 441172502 /nfs/dbraw/zinc/17/25/02/441172502.db2.gz OVGQSHIOJSYVTK-QGZVFWFLSA-N 2 1 338.496 1.367 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000105103720 441233975 /nfs/dbraw/zinc/23/39/75/441233975.db2.gz XDWKAEMJCJVBFA-GDBMZVCRSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000105103720 441233980 /nfs/dbraw/zinc/23/39/80/441233980.db2.gz XDWKAEMJCJVBFA-GDBMZVCRSA-N 2 1 326.485 1.125 20 0 EDADMP C[NH+](C)CCN1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000105112006 441234962 /nfs/dbraw/zinc/23/49/62/441234962.db2.gz AWLYXHQKUBDBFR-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000105112006 441234967 /nfs/dbraw/zinc/23/49/67/441234967.db2.gz AWLYXHQKUBDBFR-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000105112006 441234971 /nfs/dbraw/zinc/23/49/71/441234971.db2.gz AWLYXHQKUBDBFR-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP CCN(CC)C(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000072085638 441205533 /nfs/dbraw/zinc/20/55/33/441205533.db2.gz ZHQPVLMYENSVNX-IYBDPMFKSA-N 2 1 325.497 1.676 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000104899436 441219922 /nfs/dbraw/zinc/21/99/22/441219922.db2.gz UAKWBGXYMVFWJH-IBGZPJMESA-N 2 1 344.503 1.529 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000062507386 441303549 /nfs/dbraw/zinc/30/35/49/441303549.db2.gz YLOSECLQUVOMHP-KRWDZBQOSA-N 2 1 332.492 1.897 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876069 441304297 /nfs/dbraw/zinc/30/42/97/441304297.db2.gz RXRXBNHJHRJQOM-ZDUSSCGKSA-N 2 1 335.452 1.297 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081724669 441304974 /nfs/dbraw/zinc/30/49/74/441304974.db2.gz KQXQBHVQEXIZKX-ZWKOTPCHSA-N 3 1 338.540 1.593 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000074098034 441391930 /nfs/dbraw/zinc/39/19/30/441391930.db2.gz CMTXCRGSHAPGLF-SJORKVTESA-N 2 1 338.496 1.271 20 0 EDADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000063756119 441350372 /nfs/dbraw/zinc/35/03/72/441350372.db2.gz ASJJYMREGKXBJF-QGZVFWFLSA-N 2 1 332.492 1.655 20 0 EDADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000063756119 441350373 /nfs/dbraw/zinc/35/03/73/441350373.db2.gz ASJJYMREGKXBJF-QGZVFWFLSA-N 2 1 332.492 1.655 20 0 EDADMP Cn1cc[nH+]c1N1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000090087004 441619084 /nfs/dbraw/zinc/61/90/84/441619084.db2.gz JOBQMLVHLYCMHZ-UHFFFAOYSA-N 2 1 342.447 1.836 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000077004841 441711638 /nfs/dbraw/zinc/71/16/38/441711638.db2.gz PLNIWQCBTBQDON-KRWDZBQOSA-N 2 1 346.475 1.079 20 0 EDADMP CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000173330691 441716508 /nfs/dbraw/zinc/71/65/08/441716508.db2.gz PFNYQZSRDIMTBQ-GJZGRUSLSA-N 2 1 339.505 1.929 20 0 EDADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000173330691 441716513 /nfs/dbraw/zinc/71/65/13/441716513.db2.gz PFNYQZSRDIMTBQ-GJZGRUSLSA-N 2 1 339.505 1.929 20 0 EDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000173330691 441716520 /nfs/dbraw/zinc/71/65/20/441716520.db2.gz PFNYQZSRDIMTBQ-GJZGRUSLSA-N 2 1 339.505 1.929 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000091848469 441747585 /nfs/dbraw/zinc/74/75/85/441747585.db2.gz CDZOYYMQVSIJAV-IAGOWNOFSA-N 2 1 339.528 1.138 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000115792507 441777694 /nfs/dbraw/zinc/77/76/94/441777694.db2.gz MARZCMKSUWJABC-DLBZAZTESA-N 2 1 340.512 1.326 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000115792507 441777695 /nfs/dbraw/zinc/77/76/95/441777695.db2.gz MARZCMKSUWJABC-DLBZAZTESA-N 2 1 340.512 1.326 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNC2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000158993906 441778655 /nfs/dbraw/zinc/77/86/55/441778655.db2.gz BUTIHEONLTVFFP-HXUWFJFHSA-N 2 1 346.519 1.728 20 0 EDADMP C[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[N@@H+](C)C1CC1 ZINC000077593415 441811280 /nfs/dbraw/zinc/81/12/80/441811280.db2.gz YARFJHHFMXRIPA-CABCVRRESA-N 2 1 338.496 1.269 20 0 EDADMP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000092740559 441823880 /nfs/dbraw/zinc/82/38/80/441823880.db2.gz UNVTYPUHXWRIQC-MRXNPFEDSA-N 2 1 347.503 1.863 20 0 EDADMP CC(=O)Nc1ccc(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000139815382 441827208 /nfs/dbraw/zinc/82/72/08/441827208.db2.gz LEAAMGGDEFZTHZ-CRAIPNDOSA-N 2 1 344.459 2.000 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000068593208 441828785 /nfs/dbraw/zinc/82/87/85/441828785.db2.gz DLFHXFNRUHAZER-INIZCTEOSA-N 2 1 348.491 1.658 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)CCc2ccccn2)C1 ZINC000123809606 441900244 /nfs/dbraw/zinc/90/02/44/441900244.db2.gz RKYWUXAGYZTKOD-GOSISDBHSA-N 2 1 348.491 1.029 20 0 EDADMP CC(C)CN1CCO[C@H](CNC(=O)CN(C)CCc2ccccn2)C1 ZINC000123809606 441900245 /nfs/dbraw/zinc/90/02/45/441900245.db2.gz RKYWUXAGYZTKOD-GOSISDBHSA-N 2 1 348.491 1.029 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000174860514 441975578 /nfs/dbraw/zinc/97/55/78/441975578.db2.gz YEMKZPCGDXICLO-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnn(-c2ccccc2)c1 ZINC000174716867 441957963 /nfs/dbraw/zinc/95/79/63/441957963.db2.gz PRCMIBOQQRVEBR-UHFFFAOYSA-N 2 1 327.476 1.942 20 0 EDADMP CCC(CC)[C@@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)[NH+]1CCOCC1 ZINC000162033236 442058212 /nfs/dbraw/zinc/05/82/12/442058212.db2.gz LBVOICOUWPBMRD-IRXDYDNUSA-N 2 1 327.513 1.955 20 0 EDADMP C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)C[C@H]1CCCCO1 ZINC000126021917 442070442 /nfs/dbraw/zinc/07/04/42/442070442.db2.gz XINMEUOBACLEMZ-QGZVFWFLSA-N 2 1 346.475 1.621 20 0 EDADMP OCC[NH+]1CCC(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000151816792 442124669 /nfs/dbraw/zinc/12/46/69/442124669.db2.gz FGOHKQKZIXQDGD-UHFFFAOYSA-N 3 1 345.531 1.987 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000164837480 442204124 /nfs/dbraw/zinc/20/41/24/442204124.db2.gz UPUYRMFUUAVFKE-MDZRGWNJSA-N 2 1 345.487 1.769 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C)C1CC1 ZINC000176085629 442173709 /nfs/dbraw/zinc/17/37/09/442173709.db2.gz DJJUUUJCCIRNMD-UHFFFAOYSA-N 2 1 346.475 1.596 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000163795391 442182889 /nfs/dbraw/zinc/18/28/89/442182889.db2.gz OXFPZUSAHNKVNK-VKJFTORMSA-N 2 1 333.476 1.972 20 0 EDADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000164843446 442203972 /nfs/dbraw/zinc/20/39/72/442203972.db2.gz LUHDWMOGIJZFIA-BXWFABGCSA-N 2 1 345.487 1.769 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000152552725 442225054 /nfs/dbraw/zinc/22/50/54/442225054.db2.gz NQUFFBWMLUHEHB-WMZOPIPTSA-N 2 1 337.439 1.219 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000152552725 442225057 /nfs/dbraw/zinc/22/50/57/442225057.db2.gz NQUFFBWMLUHEHB-WMZOPIPTSA-N 2 1 337.439 1.219 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)c1ccco1 ZINC000153484438 442285475 /nfs/dbraw/zinc/28/54/75/442285475.db2.gz NGCKJZYPCBOSGU-CVEARBPZSA-N 2 1 335.448 1.642 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)c1ccco1 ZINC000153484438 442285477 /nfs/dbraw/zinc/28/54/77/442285477.db2.gz NGCKJZYPCBOSGU-CVEARBPZSA-N 2 1 335.448 1.642 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3F)C2)CC1 ZINC000171528240 442354782 /nfs/dbraw/zinc/35/47/82/442354782.db2.gz DJSAEEUFYZUVND-MRXNPFEDSA-N 2 1 348.466 1.866 20 0 EDADMP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129244257 442307763 /nfs/dbraw/zinc/30/77/63/442307763.db2.gz DTMCUBLHLMFPIW-RCCFBDPRSA-N 2 1 337.508 1.678 20 0 EDADMP Cc1nccn1CCC[N@H+](C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000130863849 442358585 /nfs/dbraw/zinc/35/85/85/442358585.db2.gz XDDHUOCWPDKGTA-QGZVFWFLSA-N 2 1 342.443 1.633 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000130863849 442358588 /nfs/dbraw/zinc/35/85/88/442358588.db2.gz XDDHUOCWPDKGTA-QGZVFWFLSA-N 2 1 342.443 1.633 20 0 EDADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178214519 442415953 /nfs/dbraw/zinc/41/59/53/442415953.db2.gz DXCRVQGOZSZNOT-DLBZAZTESA-N 2 1 336.524 1.393 20 0 EDADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000178874887 442510158 /nfs/dbraw/zinc/51/01/58/442510158.db2.gz KSNCKTHTGPJBER-LJQANCHMSA-N 2 1 344.503 1.453 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000178873909 442510359 /nfs/dbraw/zinc/51/03/59/442510359.db2.gz ADFOEZVYSOMOCE-IBGZPJMESA-N 2 1 344.503 1.582 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000179483763 442463320 /nfs/dbraw/zinc/46/33/20/442463320.db2.gz CWLFTGSSRIYWMG-ROUUACIJSA-N 2 1 346.475 1.405 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000179483763 442463326 /nfs/dbraw/zinc/46/33/26/442463326.db2.gz CWLFTGSSRIYWMG-ROUUACIJSA-N 2 1 346.475 1.405 20 0 EDADMP COc1cccc(C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C2CC2)c1 ZINC000179023180 442553445 /nfs/dbraw/zinc/55/34/45/442553445.db2.gz FLYDREYMSBZKRV-LJQANCHMSA-N 2 1 345.487 1.770 20 0 EDADMP CC1CC[NH+](CCCCNC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000186919981 442629984 /nfs/dbraw/zinc/62/99/84/442629984.db2.gz YQODDSLVURRAOR-UHFFFAOYSA-N 2 1 340.512 1.520 20 0 EDADMP CC(C)[NH+]1CCN(CCCN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000192839929 442691747 /nfs/dbraw/zinc/69/17/47/442691747.db2.gz WWJGXJSCPKEROE-GOSISDBHSA-N 2 1 340.556 1.180 20 0 EDADMP CC(C)N1CC[NH+](CCCN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000192839929 442691749 /nfs/dbraw/zinc/69/17/49/442691749.db2.gz WWJGXJSCPKEROE-GOSISDBHSA-N 2 1 340.556 1.180 20 0 EDADMP CC(C)N1CC[NH+](CCCN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000192839929 442691752 /nfs/dbraw/zinc/69/17/52/442691752.db2.gz WWJGXJSCPKEROE-GOSISDBHSA-N 2 1 340.556 1.180 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000192949870 442701037 /nfs/dbraw/zinc/70/10/37/442701037.db2.gz PNJXHTVUCGCLOI-UHFFFAOYSA-N 2 1 326.485 1.082 20 0 EDADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000187973905 442701437 /nfs/dbraw/zinc/70/14/37/442701437.db2.gz AZIAWYXMOUKWBR-RYQLBKOJSA-N 2 1 331.460 1.486 20 0 EDADMP C[N@H+](CC[C@@H]1CCOC1=O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188277961 442732762 /nfs/dbraw/zinc/73/27/62/442732762.db2.gz VCYSZEWDMNAYIN-IEBWSBKVSA-N 2 1 332.444 1.508 20 0 EDADMP C[N@@H+](CC[C@@H]1CCOC1=O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188277961 442732765 /nfs/dbraw/zinc/73/27/65/442732765.db2.gz VCYSZEWDMNAYIN-IEBWSBKVSA-N 2 1 332.444 1.508 20 0 EDADMP C[NH+](CC[C@@H]1CCOC1=O)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188277961 442732768 /nfs/dbraw/zinc/73/27/68/442732768.db2.gz VCYSZEWDMNAYIN-IEBWSBKVSA-N 2 1 332.444 1.508 20 0 EDADMP C[NH+](CC[C@@H]1CCOC1=O)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188277961 442732769 /nfs/dbraw/zinc/73/27/69/442732769.db2.gz VCYSZEWDMNAYIN-IEBWSBKVSA-N 2 1 332.444 1.508 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)c3coc(C[NH3+])c3)CC2)C[C@H](C)O1 ZINC000188135344 442715195 /nfs/dbraw/zinc/71/51/95/442715195.db2.gz SIKYQXBZPOOZCJ-OKILXGFUSA-N 2 1 335.448 1.700 20 0 EDADMP C[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)CC[N@H+]1CC(C)(C)O ZINC000188715993 442795869 /nfs/dbraw/zinc/79/58/69/442795869.db2.gz ZWUDCYWWKIGXAV-MRXNPFEDSA-N 2 1 333.476 1.422 20 0 EDADMP C[NH+](CC1CCOCC1)CC1(C[N@@H+](C)CC2CCOCC2)COC1 ZINC000182394567 442763333 /nfs/dbraw/zinc/76/33/33/442763333.db2.gz HVIVXHHSIMXAJX-UHFFFAOYSA-N 2 1 340.508 1.720 20 0 EDADMP CC[NH+]1CCN(CCCNC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000265437394 442772512 /nfs/dbraw/zinc/77/25/12/442772512.db2.gz XPTRZGYTRJMVLU-SFHVURJKSA-N 2 1 346.519 1.651 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246904372 442820517 /nfs/dbraw/zinc/82/05/17/442820517.db2.gz FUOKNWWUIRVYOR-IAGOWNOFSA-N 2 1 338.496 1.082 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000247188488 442839702 /nfs/dbraw/zinc/83/97/02/442839702.db2.gz PZGTVJFOQIGPRH-BZUAXINKSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000265604899 442842680 /nfs/dbraw/zinc/84/26/80/442842680.db2.gz MQJKFHSGMSCXNX-WMZOPIPTSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000265604899 442842683 /nfs/dbraw/zinc/84/26/83/442842683.db2.gz MQJKFHSGMSCXNX-WMZOPIPTSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000265604899 442842691 /nfs/dbraw/zinc/84/26/91/442842691.db2.gz MQJKFHSGMSCXNX-WMZOPIPTSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000247221935 442841600 /nfs/dbraw/zinc/84/16/00/442841600.db2.gz BXPALNLFGPUWED-CVEARBPZSA-N 2 1 340.512 1.110 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000268255445 442919940 /nfs/dbraw/zinc/91/99/40/442919940.db2.gz XXKMDSAFELVDOB-PBHICJAKSA-N 2 1 331.460 1.840 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194802693 442955412 /nfs/dbraw/zinc/95/54/12/442955412.db2.gz GOTLZUUHSMAAEV-IYBDPMFKSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194802693 442955417 /nfs/dbraw/zinc/95/54/17/442955417.db2.gz GOTLZUUHSMAAEV-IYBDPMFKSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000195021041 442977324 /nfs/dbraw/zinc/97/73/24/442977324.db2.gz GISZJLGSAQZTQD-WCVJEAGWSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000195021041 442977326 /nfs/dbraw/zinc/97/73/26/442977326.db2.gz GISZJLGSAQZTQD-WCVJEAGWSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000195021041 442977327 /nfs/dbraw/zinc/97/73/27/442977327.db2.gz GISZJLGSAQZTQD-WCVJEAGWSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000195021041 442977329 /nfs/dbraw/zinc/97/73/29/442977329.db2.gz GISZJLGSAQZTQD-WCVJEAGWSA-N 2 1 338.496 1.362 20 0 EDADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000195217172 442997675 /nfs/dbraw/zinc/99/76/75/442997675.db2.gz GLYPXQNQLCVMFY-OALUTQOASA-N 2 1 349.519 1.964 20 0 EDADMP CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000249770000 443004664 /nfs/dbraw/zinc/00/46/64/443004664.db2.gz RVXWLZMNFICHKX-OAGGEKHMSA-N 2 1 340.512 1.658 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000249770000 443004668 /nfs/dbraw/zinc/00/46/68/443004668.db2.gz RVXWLZMNFICHKX-OAGGEKHMSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1CO ZINC000190341442 443087270 /nfs/dbraw/zinc/08/72/70/443087270.db2.gz FRRFGAYDZCXXHU-VQIMIIECSA-N 2 1 345.487 1.601 20 0 EDADMP CC(C)C[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000236677790 443143208 /nfs/dbraw/zinc/14/32/08/443143208.db2.gz MMWYGKFKRVYRAZ-WMZOPIPTSA-N 2 1 339.524 1.875 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)CC2)[nH+]c1 ZINC000184957018 443106836 /nfs/dbraw/zinc/10/68/36/443106836.db2.gz HIMDKLPCVUMHJV-BBWFWOEESA-N 2 1 328.460 1.802 20 0 EDADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268829230 443121559 /nfs/dbraw/zinc/12/15/59/443121559.db2.gz VUQCJIPAJADGMJ-NVXWUHKLSA-N 2 1 339.505 1.568 20 0 EDADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268829230 443121562 /nfs/dbraw/zinc/12/15/62/443121562.db2.gz VUQCJIPAJADGMJ-NVXWUHKLSA-N 2 1 339.505 1.568 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000261667224 443163965 /nfs/dbraw/zinc/16/39/65/443163965.db2.gz ISNJRFQZCJJNNR-WMLDXEAASA-N 2 1 333.432 1.146 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000261667224 443163971 /nfs/dbraw/zinc/16/39/71/443163971.db2.gz ISNJRFQZCJJNNR-WMLDXEAASA-N 2 1 333.432 1.146 20 0 EDADMP COCCC[NH+]1CCC([NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000237209596 443164461 /nfs/dbraw/zinc/16/44/61/443164461.db2.gz MPQKQQMNNCJABC-UHFFFAOYSA-N 2 1 331.464 1.867 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000261731517 443166417 /nfs/dbraw/zinc/16/64/17/443166417.db2.gz HSGKGKZFQGLUEG-BBWFWOEESA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000261731517 443166422 /nfs/dbraw/zinc/16/64/22/443166422.db2.gz HSGKGKZFQGLUEG-BBWFWOEESA-N 2 1 337.508 1.722 20 0 EDADMP [NH3+]C1(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)CC1 ZINC000262159471 443184869 /nfs/dbraw/zinc/18/48/69/443184869.db2.gz UPAVKYIYCHOXAP-UHFFFAOYSA-N 2 1 336.867 1.460 20 0 EDADMP Cn1cc[nH+]c1C[C@H]1CCCN(Cc2nnnn2CC(F)(F)F)C1 ZINC000191013413 443225653 /nfs/dbraw/zinc/22/56/53/443225653.db2.gz BQDWWHKJSWQADU-LLVKDONJSA-N 2 1 343.357 1.424 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCOC1 ZINC000245663088 443242944 /nfs/dbraw/zinc/24/29/44/443242944.db2.gz DJOCBPLOAOVPIZ-SJORKVTESA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000397343532 319134306 /nfs/dbraw/zinc/13/43/06/319134306.db2.gz WWVHTROXBLLFPI-MCIONIFRSA-N 2 1 341.477 1.018 20 0 EDADMP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000266812828 443252520 /nfs/dbraw/zinc/25/25/20/443252520.db2.gz HYSQIDSZHBPRSA-LJQANCHMSA-N 2 1 342.487 1.505 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264198374 443254621 /nfs/dbraw/zinc/25/46/21/443254621.db2.gz DRYFGPSJRUMVFO-HKUYNNGSSA-N 2 1 346.519 1.822 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264198374 443254624 /nfs/dbraw/zinc/25/46/24/443254624.db2.gz DRYFGPSJRUMVFO-HKUYNNGSSA-N 2 1 346.519 1.822 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414659736 319337634 /nfs/dbraw/zinc/33/76/34/319337634.db2.gz LQAOBQPVHBUQRC-AWEZNQCLSA-N 2 1 332.448 1.465 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+]1CCC[C@H](C)C1 ZINC000414692280 319343529 /nfs/dbraw/zinc/34/35/29/319343529.db2.gz APZFFHUQIBOKSI-UONOGXRCSA-N 2 1 344.459 1.465 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C3CC[NH2+]CC3)cc2)C[C@@H](C)O1 ZINC000415085848 319346452 /nfs/dbraw/zinc/34/64/52/319346452.db2.gz REURGYACGVBBRE-HUUCEWRRSA-N 2 1 331.460 1.778 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000415130239 319347314 /nfs/dbraw/zinc/34/73/14/319347314.db2.gz WMWQWLUIAKNUJJ-CQSZACIVSA-N 2 1 332.448 1.287 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000415242939 319355923 /nfs/dbraw/zinc/35/59/23/319355923.db2.gz JKMHCXSJDHQBFM-OKILXGFUSA-N 2 1 332.448 1.286 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC000415242939 319355925 /nfs/dbraw/zinc/35/59/25/319355925.db2.gz JKMHCXSJDHQBFM-OKILXGFUSA-N 2 1 332.448 1.286 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000415996184 319388366 /nfs/dbraw/zinc/38/83/66/319388366.db2.gz OMPVPDUECBEMEB-UONOGXRCSA-N 2 1 344.381 1.840 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246231231 443281366 /nfs/dbraw/zinc/28/13/66/443281366.db2.gz FDOVOUDNOXGUNE-SZMVWBNQSA-N 2 1 337.508 1.722 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)cc1 ZINC000264509703 443311598 /nfs/dbraw/zinc/31/15/98/443311598.db2.gz LGXUERZXBSAOPD-SFHVURJKSA-N 2 1 333.476 1.979 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000416921193 319475071 /nfs/dbraw/zinc/47/50/71/319475071.db2.gz NAPUITQSMXHNCB-RBSFLKMASA-N 2 1 326.485 1.397 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000416944419 319481651 /nfs/dbraw/zinc/48/16/51/319481651.db2.gz UZVXUSAGFKFIRL-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000418587123 319506715 /nfs/dbraw/zinc/50/67/15/319506715.db2.gz GFVRNMSTJARJNO-GOEBONIOSA-N 2 1 336.505 1.616 20 0 EDADMP CC1CC[NH+](CC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000269581531 443354639 /nfs/dbraw/zinc/35/46/39/443354639.db2.gz WJZKKWHAIBAKCF-IBGZPJMESA-N 2 1 345.487 1.254 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000264759632 443411442 /nfs/dbraw/zinc/41/14/42/443411442.db2.gz SVHUXIQTEYKJJQ-MRXNPFEDSA-N 2 1 336.480 1.384 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000264759632 443411447 /nfs/dbraw/zinc/41/14/47/443411447.db2.gz SVHUXIQTEYKJJQ-MRXNPFEDSA-N 2 1 336.480 1.384 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000264759632 443411451 /nfs/dbraw/zinc/41/14/51/443411451.db2.gz SVHUXIQTEYKJJQ-MRXNPFEDSA-N 2 1 336.480 1.384 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000282801565 443437787 /nfs/dbraw/zinc/43/77/87/443437787.db2.gz MWCHFGGTDQPDRB-ROUUACIJSA-N 2 1 345.487 1.734 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000282801565 443437791 /nfs/dbraw/zinc/43/77/91/443437791.db2.gz MWCHFGGTDQPDRB-ROUUACIJSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000282801565 443437794 /nfs/dbraw/zinc/43/77/94/443437794.db2.gz MWCHFGGTDQPDRB-ROUUACIJSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000282801565 443437798 /nfs/dbraw/zinc/43/77/98/443437798.db2.gz MWCHFGGTDQPDRB-ROUUACIJSA-N 2 1 345.487 1.734 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CCn2cc[nH+]c2C)c1 ZINC000272915994 443488225 /nfs/dbraw/zinc/48/82/25/443488225.db2.gz XKJWEWHBVBSVTA-CYBMUJFWSA-N 2 1 344.415 1.985 20 0 EDADMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436046691 320018758 /nfs/dbraw/zinc/01/87/58/320018758.db2.gz CBQBONSIWNFMGM-NVXWUHKLSA-N 2 1 346.475 1.183 20 0 EDADMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436046691 320018759 /nfs/dbraw/zinc/01/87/59/320018759.db2.gz CBQBONSIWNFMGM-NVXWUHKLSA-N 2 1 346.475 1.183 20 0 EDADMP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000286201762 443666942 /nfs/dbraw/zinc/66/69/42/443666942.db2.gz RRDVZHDTYRJYTM-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444267329 320123144 /nfs/dbraw/zinc/12/31/44/320123144.db2.gz JZUKRARQVVTNBO-PKOBYXMFSA-N 2 1 346.450 1.064 20 0 EDADMP CC[C@H](CNS(C)(=O)=O)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449443071 320191260 /nfs/dbraw/zinc/19/12/60/320191260.db2.gz PBNVGYYISJCXQY-UXLLHSPISA-N 2 1 345.553 1.947 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000449717602 320201590 /nfs/dbraw/zinc/20/15/90/320201590.db2.gz DUWITLPFNPCSBD-JQHSSLGASA-N 2 1 330.476 1.219 20 0 EDADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000453403875 320263340 /nfs/dbraw/zinc/26/33/40/320263340.db2.gz OZMLEFLXXKBTKV-CYBMUJFWSA-N 2 1 325.478 1.859 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)C1 ZINC000457713106 320333009 /nfs/dbraw/zinc/33/30/09/320333009.db2.gz PJDOHGZPLAIVSG-ZACQAIPSSA-N 2 1 340.512 1.062 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)C1 ZINC000457713106 320333010 /nfs/dbraw/zinc/33/30/10/320333010.db2.gz PJDOHGZPLAIVSG-ZACQAIPSSA-N 2 1 340.512 1.062 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[N@H+](CCO)C[C@H]2C)C1 ZINC000457713104 320333032 /nfs/dbraw/zinc/33/30/32/320333032.db2.gz PJDOHGZPLAIVSG-BRWVUGGUSA-N 2 1 340.512 1.062 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)C1 ZINC000457713104 320333033 /nfs/dbraw/zinc/33/30/33/320333033.db2.gz PJDOHGZPLAIVSG-BRWVUGGUSA-N 2 1 340.512 1.062 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000458457510 320336984 /nfs/dbraw/zinc/33/69/84/320336984.db2.gz MPPUAMJZRULLQJ-MRXNPFEDSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](C)CCc1ccc(CNC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000276417273 443700193 /nfs/dbraw/zinc/70/01/93/443700193.db2.gz PXKNNKIIOKZRPI-UHFFFAOYSA-N 2 1 348.491 1.312 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnn(C3CC3)c2)CC1 ZINC000528151841 320537979 /nfs/dbraw/zinc/53/79/79/320537979.db2.gz WTFWMGOWAFZLNB-UHFFFAOYSA-N 2 1 326.404 1.617 20 0 EDADMP CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000288482571 443894921 /nfs/dbraw/zinc/89/49/21/443894921.db2.gz YEEUBQTUZMKJBZ-QZTJIDSGSA-N 2 1 349.475 1.523 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)CC1 ZINC000292886863 443869970 /nfs/dbraw/zinc/86/99/70/443869970.db2.gz YMJCQJPYUVKNCV-IBGZPJMESA-N 2 1 345.487 1.644 20 0 EDADMP CC[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC000281402593 443900942 /nfs/dbraw/zinc/90/09/42/443900942.db2.gz NQNWMHZSZSALRN-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP CC[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCCO1 ZINC000281402593 443900945 /nfs/dbraw/zinc/90/09/45/443900945.db2.gz NQNWMHZSZSALRN-MSOLQXFVSA-N 2 1 333.476 1.906 20 0 EDADMP CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000277531937 444002841 /nfs/dbraw/zinc/00/28/41/444002841.db2.gz SPXQDPIGRPTAJR-SFHVURJKSA-N 2 1 348.491 1.481 20 0 EDADMP O=C(c1ccoc1)N1CCC([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000548424239 320879614 /nfs/dbraw/zinc/87/96/14/320879614.db2.gz VLMQKZWSHCREBA-AWEZNQCLSA-N 2 1 328.416 1.933 20 0 EDADMP CNC(=O)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293425167 444014360 /nfs/dbraw/zinc/01/43/60/444014360.db2.gz TWLIVGNVKNVYTO-UHFFFAOYSA-N 2 1 344.459 1.430 20 0 EDADMP COc1cccc([C@H](CNC(=O)NCCn2cc[nH+]c2C)[NH+](C)C)c1 ZINC000299495778 444062816 /nfs/dbraw/zinc/06/28/16/444062816.db2.gz PSWNSWPIESSKCJ-KRWDZBQOSA-N 2 1 345.447 1.802 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000285719777 444084763 /nfs/dbraw/zinc/08/47/63/444084763.db2.gz FBTKQPGJSFXZFM-PBHICJAKSA-N 2 1 329.448 1.317 20 0 EDADMP C[NH2+][C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000285719777 444084768 /nfs/dbraw/zinc/08/47/68/444084768.db2.gz FBTKQPGJSFXZFM-PBHICJAKSA-N 2 1 329.448 1.317 20 0 EDADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000563138550 321098328 /nfs/dbraw/zinc/09/83/28/321098328.db2.gz RETGCHXYCAJQCT-QZTJIDSGSA-N 2 1 336.476 1.425 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000564956954 321160307 /nfs/dbraw/zinc/16/03/07/321160307.db2.gz VSTGJBLLZCVNBA-AOIWGVFYSA-N 2 1 337.508 1.996 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C[N@H+]1C1CC1 ZINC000565940820 321207524 /nfs/dbraw/zinc/20/75/24/321207524.db2.gz YUDHYPLMAIWYGG-XUWXXGDYSA-N 2 1 328.460 1.798 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)COc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000566103317 321214956 /nfs/dbraw/zinc/21/49/56/321214956.db2.gz GIBWYXVISCGHBO-CRAIPNDOSA-N 2 1 349.475 1.558 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000567120920 321241549 /nfs/dbraw/zinc/24/15/49/321241549.db2.gz SRUFWTOPALSMLO-INIZCTEOSA-N 2 1 343.874 1.909 20 0 EDADMP C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000567585810 321247258 /nfs/dbraw/zinc/24/72/58/321247258.db2.gz WKZKBZXYJAFBGL-CFVMTHIKSA-N 2 1 341.402 1.375 20 0 EDADMP C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000567585810 321247259 /nfs/dbraw/zinc/24/72/59/321247259.db2.gz WKZKBZXYJAFBGL-CFVMTHIKSA-N 2 1 341.402 1.375 20 0 EDADMP C[N@H+]1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C(C)(C)C1 ZINC000567625743 321249369 /nfs/dbraw/zinc/24/93/69/321249369.db2.gz VSQMDGMIVMZEJP-OAHLLOKOSA-N 2 1 325.522 1.757 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000569083120 321317401 /nfs/dbraw/zinc/31/74/01/321317401.db2.gz KMBRKRCCJONWCN-AWEZNQCLSA-N 2 1 344.459 1.119 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000569098449 321318709 /nfs/dbraw/zinc/31/87/09/321318709.db2.gz GEVZDDKWUREOIT-LXZKKBNFSA-N 2 1 344.459 1.320 20 0 EDADMP COc1cccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000570619425 321350642 /nfs/dbraw/zinc/35/06/42/321350642.db2.gz HZPAROXAKYCRTM-FUHWJXTLSA-N 2 1 331.460 1.775 20 0 EDADMP COc1cccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000570619425 321350644 /nfs/dbraw/zinc/35/06/44/321350644.db2.gz HZPAROXAKYCRTM-FUHWJXTLSA-N 2 1 331.460 1.775 20 0 EDADMP C[C@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000570941235 321365401 /nfs/dbraw/zinc/36/54/01/321365401.db2.gz TXQTXNKXXBXMNV-GWFLUQINSA-N 2 1 344.503 1.655 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)C[NH+](C)C1CC1 ZINC000289554346 444170696 /nfs/dbraw/zinc/17/06/96/444170696.db2.gz PAWPBUPIBNZYRV-AHRSYUTCSA-N 2 1 331.504 1.942 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000289554346 444170698 /nfs/dbraw/zinc/17/06/98/444170698.db2.gz PAWPBUPIBNZYRV-AHRSYUTCSA-N 2 1 331.504 1.942 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289554346 444170700 /nfs/dbraw/zinc/17/07/00/444170700.db2.gz PAWPBUPIBNZYRV-AHRSYUTCSA-N 2 1 331.504 1.942 20 0 EDADMP CN(C)c1ncccc1O[C@@H]1CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000289393103 444128085 /nfs/dbraw/zinc/12/80/85/444128085.db2.gz REQPYKWDMURFQD-VXGBXAGGSA-N 2 1 333.354 1.914 20 0 EDADMP CN(C)c1ncccc1O[C@@H]1CCN(C[C@H](O)CC(F)(F)F)C1 ZINC000289393103 444128091 /nfs/dbraw/zinc/12/80/91/444128091.db2.gz REQPYKWDMURFQD-VXGBXAGGSA-N 2 1 333.354 1.914 20 0 EDADMP C[C@H]1C[NH+](CC2CCN(c3cc[nH+]cc3C(N)=O)CC2)C[C@H](C)O1 ZINC000302214988 444209330 /nfs/dbraw/zinc/20/93/30/444209330.db2.gz ISEQRFUZKJZDLV-KBPBESRZSA-N 2 1 332.448 1.506 20 0 EDADMP Cc1cc(N(C)C[C@@H](O)CN2CC[NH+](C)CC2)c2ccccc2[nH+]1 ZINC000302682004 444219547 /nfs/dbraw/zinc/21/95/47/444219547.db2.gz SFOZMHXHKHASBS-MRXNPFEDSA-N 2 1 328.460 1.588 20 0 EDADMP COCCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000295749628 444192610 /nfs/dbraw/zinc/19/26/10/444192610.db2.gz NPLBPNFOQMWXHD-QRQLOZEOSA-N 2 1 336.476 1.511 20 0 EDADMP C[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000305110345 444258395 /nfs/dbraw/zinc/25/83/95/444258395.db2.gz FOPHEHJXNPAOPA-ZTNFWEORSA-N 2 1 329.488 1.620 20 0 EDADMP C[C@@H]1C[C@@H](NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000305110345 444258398 /nfs/dbraw/zinc/25/83/98/444258398.db2.gz FOPHEHJXNPAOPA-ZTNFWEORSA-N 2 1 329.488 1.620 20 0 EDADMP C[C@@H]1C[C@@H](NC[C@H](O)C[N@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000305110345 444258399 /nfs/dbraw/zinc/25/83/99/444258399.db2.gz FOPHEHJXNPAOPA-ZTNFWEORSA-N 2 1 329.488 1.620 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCC[C@H]2C[NH+]2CCCCC2)C[C@H](C)O1 ZINC000303981628 444238991 /nfs/dbraw/zinc/23/89/91/444238991.db2.gz FXPJCZGJECONSH-RDGPPVDQSA-N 2 1 339.524 1.407 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CCC[C@H]2C[NH+]2CCCCC2)C[C@H](C)O1 ZINC000303981628 444238993 /nfs/dbraw/zinc/23/89/93/444238993.db2.gz FXPJCZGJECONSH-RDGPPVDQSA-N 2 1 339.524 1.407 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@H]1CCC[NH+](CCCO)C1)Cc1ccccc1 ZINC000297289614 444280980 /nfs/dbraw/zinc/28/09/80/444280980.db2.gz HFAFDPSPQUTNTR-SFHVURJKSA-N 2 1 348.491 1.264 20 0 EDADMP C[NH+](CCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)Cc1ccccc1 ZINC000297289614 444280982 /nfs/dbraw/zinc/28/09/82/444280982.db2.gz HFAFDPSPQUTNTR-SFHVURJKSA-N 2 1 348.491 1.264 20 0 EDADMP C[NH+](CCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)Cc1ccccc1 ZINC000297289614 444280985 /nfs/dbraw/zinc/28/09/85/444280985.db2.gz HFAFDPSPQUTNTR-SFHVURJKSA-N 2 1 348.491 1.264 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](Cc3ccccc3)OC)C2)CC1 ZINC000297465301 444289267 /nfs/dbraw/zinc/28/92/67/444289267.db2.gz KKWUMQKXBDGMMJ-WOJBJXKFSA-N 2 1 331.504 1.956 20 0 EDADMP C[C@@H](NC(=O)COC1(C)C[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310426396 444291604 /nfs/dbraw/zinc/29/16/04/444291604.db2.gz PDONYXNHBNXGQC-NVXWUHKLSA-N 2 1 331.460 1.392 20 0 EDADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CO2 ZINC000297826135 444339224 /nfs/dbraw/zinc/33/92/24/444339224.db2.gz RONHANIVYVGZMX-IAGOWNOFSA-N 2 1 334.460 1.825 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000324224066 444351731 /nfs/dbraw/zinc/35/17/31/444351731.db2.gz FWHDQAWWYOUUAU-GOSISDBHSA-N 2 1 325.497 1.583 20 0 EDADMP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000340480479 444397725 /nfs/dbraw/zinc/39/77/25/444397725.db2.gz OWLORHZPMQELJM-IPMKNSEASA-N 2 1 343.475 1.529 20 0 EDADMP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000340480479 444397727 /nfs/dbraw/zinc/39/77/27/444397727.db2.gz OWLORHZPMQELJM-IPMKNSEASA-N 2 1 343.475 1.529 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](CCCNS(=O)(=O)CC)CC1 ZINC000337959312 444472001 /nfs/dbraw/zinc/47/20/01/444472001.db2.gz JIJNAJBIFJVADU-UHFFFAOYSA-N 2 1 333.542 1.760 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000338048502 444499230 /nfs/dbraw/zinc/49/92/30/444499230.db2.gz FIFMWBMJMLYOCY-IEBWSBKVSA-N 2 1 338.540 1.641 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]1c1cccs1 ZINC000580052506 322002045 /nfs/dbraw/zinc/00/20/45/322002045.db2.gz IVABGFPQUAYTIN-XYTFPVCRSA-N 2 1 334.489 1.648 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000580725329 322088457 /nfs/dbraw/zinc/08/84/57/322088457.db2.gz ARNYBBBWWDSULR-IRXDYDNUSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000580828744 322100500 /nfs/dbraw/zinc/10/05/00/322100500.db2.gz KBBMGSXBQNRKIS-NJAFHUGGSA-N 2 1 333.476 1.328 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580881912 322106889 /nfs/dbraw/zinc/10/68/89/322106889.db2.gz GBYNYQLPNRVSTG-KBAYOESNSA-N 2 1 330.476 1.806 20 0 EDADMP C[C@@H]1C[N@H+]([C@@H]2CCCc3c2cnn3-c2ncccn2)C[C@@]1(C)C[NH3+] ZINC000581005934 322123262 /nfs/dbraw/zinc/12/32/62/322123262.db2.gz HOKYLNXYDJQXAV-DDUZABMNSA-N 2 1 326.448 1.956 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000581202452 322149373 /nfs/dbraw/zinc/14/93/73/322149373.db2.gz XCYZTZCJTMUKGE-FQEVSTJZSA-N 2 1 348.535 1.049 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cnccc3CO)CC2)CC1 ZINC000581616812 322200395 /nfs/dbraw/zinc/20/03/95/322200395.db2.gz YUCZYTUBEKKJBP-UHFFFAOYSA-N 2 1 346.475 1.709 20 0 EDADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)[C@H](C)O ZINC000581998124 322242571 /nfs/dbraw/zinc/24/25/71/322242571.db2.gz WHHQXWSBAMWLCK-CABCVRRESA-N 2 1 335.448 1.206 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000582002643 322243614 /nfs/dbraw/zinc/24/36/14/322243614.db2.gz XDGSQMMSPQZCFQ-KSZLIROESA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000582002643 322243616 /nfs/dbraw/zinc/24/36/16/322243616.db2.gz XDGSQMMSPQZCFQ-KSZLIROESA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C[C@H]21 ZINC000342130789 444524208 /nfs/dbraw/zinc/52/42/08/444524208.db2.gz NVNDQOVWXYRXOO-MWQQHZPXSA-N 2 1 329.444 1.686 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C[C@H]21 ZINC000342130789 444524212 /nfs/dbraw/zinc/52/42/12/444524212.db2.gz NVNDQOVWXYRXOO-MWQQHZPXSA-N 2 1 329.444 1.686 20 0 EDADMP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342148827 444534700 /nfs/dbraw/zinc/53/47/00/444534700.db2.gz VNHBVGDGVXVNIX-USXIJHARSA-N 2 1 344.459 1.386 20 0 EDADMP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342148827 444534705 /nfs/dbraw/zinc/53/47/05/444534705.db2.gz VNHBVGDGVXVNIX-USXIJHARSA-N 2 1 344.459 1.386 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000340966499 444604137 /nfs/dbraw/zinc/60/41/37/444604137.db2.gz NLWWCOLHVRFPBG-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000340966499 444604141 /nfs/dbraw/zinc/60/41/41/444604141.db2.gz NLWWCOLHVRFPBG-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000340966499 444604144 /nfs/dbraw/zinc/60/41/44/444604144.db2.gz NLWWCOLHVRFPBG-DLBZAZTESA-N 2 1 339.528 1.186 20 0 EDADMP CN1CC[C@@H](NC(=O)NCCN2CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000343825592 444613455 /nfs/dbraw/zinc/61/34/55/444613455.db2.gz LPZOLGAEFNIQTG-CVEARBPZSA-N 2 1 338.402 1.715 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000342288867 444615335 /nfs/dbraw/zinc/61/53/35/444615335.db2.gz ADMJCIGYCKJOHO-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP CCOC(=O)CC(C)(C)[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000343894489 444651595 /nfs/dbraw/zinc/65/15/95/444651595.db2.gz CIVKKDMKUBDGDY-UHFFFAOYSA-N 2 1 327.469 1.251 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000341098233 444672913 /nfs/dbraw/zinc/67/29/13/444672913.db2.gz YRJCNDQZOJVUFS-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP [NH3+]C[C@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333921330 444718828 /nfs/dbraw/zinc/71/88/28/444718828.db2.gz QNVIMHYXTQXXTM-MRXNPFEDSA-N 2 1 338.496 1.544 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@H]12 ZINC000333941882 444724078 /nfs/dbraw/zinc/72/40/78/444724078.db2.gz PMBSPGZPKHGFCD-FGTMMUONSA-N 2 1 328.460 1.423 20 0 EDADMP C[N@@H+](CCCn1ccnc1)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000341123458 444686134 /nfs/dbraw/zinc/68/61/34/444686134.db2.gz HXJIKFJYIAJDIU-HNNXBMFYSA-N 2 1 344.415 1.161 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028019 444738031 /nfs/dbraw/zinc/73/80/31/444738031.db2.gz LPRKJXATLRGDKC-ZWKOTPCHSA-N 2 1 340.556 1.981 20 0 EDADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028018 444738175 /nfs/dbraw/zinc/73/81/75/444738175.db2.gz LPRKJXATLRGDKC-ROUUACIJSA-N 2 1 340.556 1.981 20 0 EDADMP C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344032315 444739876 /nfs/dbraw/zinc/73/98/76/444739876.db2.gz PUUJZAPHOLVOGQ-DLBZAZTESA-N 2 1 326.529 1.497 20 0 EDADMP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344043153 444746472 /nfs/dbraw/zinc/74/64/72/444746472.db2.gz WSHJHWTZBJWISQ-QGZVFWFLSA-N 2 1 346.519 1.780 20 0 EDADMP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344043153 444746474 /nfs/dbraw/zinc/74/64/74/444746474.db2.gz WSHJHWTZBJWISQ-QGZVFWFLSA-N 2 1 346.519 1.780 20 0 EDADMP Cn1ccnc1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)CCc1ccnn1C ZINC000338562105 444748138 /nfs/dbraw/zinc/74/81/38/444748138.db2.gz BCXZBVBWGZFURC-GOEBONIOSA-N 2 1 334.443 1.241 20 0 EDADMP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CC[C@@H]3CCCC[N@H+]3C)ncn2)C1 ZINC000334027695 444751378 /nfs/dbraw/zinc/75/13/78/444751378.db2.gz IMBWBFYMNLEQQR-BBWFWOEESA-N 2 1 347.507 1.994 20 0 EDADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000344022903 444734173 /nfs/dbraw/zinc/73/41/73/444734173.db2.gz PJRIEQYFBWRZFB-GDBMZVCRSA-N 2 1 349.475 1.942 20 0 EDADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)NCC(F)(F)F ZINC000344130998 444798073 /nfs/dbraw/zinc/79/80/73/444798073.db2.gz NAERZQFDBVIRNG-UHFFFAOYSA-N 2 1 338.418 1.014 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)NCC(F)(F)F ZINC000344130998 444798077 /nfs/dbraw/zinc/79/80/77/444798077.db2.gz NAERZQFDBVIRNG-UHFFFAOYSA-N 2 1 338.418 1.014 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000344131666 444798095 /nfs/dbraw/zinc/79/80/95/444798095.db2.gz OBGXXOQGMDRVFD-KRWDZBQOSA-N 2 1 345.553 1.161 20 0 EDADMP C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C[NH+](C)C ZINC000336868784 444812336 /nfs/dbraw/zinc/81/23/36/444812336.db2.gz ZEZQQDWRNYNGCV-KGLIPLIRSA-N 2 1 327.494 1.785 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(c3cc(N4CCCC[C@@H]4CO)ncn3)C2)C1 ZINC000330181139 444876625 /nfs/dbraw/zinc/87/66/25/444876625.db2.gz GKVOGQXVCKIJKH-CRAIPNDOSA-N 2 1 331.464 1.360 20 0 EDADMP C[C@H]1[C@H](NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CCC[N@@H+]1C ZINC000344285363 444880652 /nfs/dbraw/zinc/88/06/52/444880652.db2.gz KFBYTHZDAKWRDC-GOEBONIOSA-N 2 1 333.480 1.867 20 0 EDADMP C[C@H]1[C@H](NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CCC[N@H+]1C ZINC000344285363 444880656 /nfs/dbraw/zinc/88/06/56/444880656.db2.gz KFBYTHZDAKWRDC-GOEBONIOSA-N 2 1 333.480 1.867 20 0 EDADMP C[C@H]1[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CCC[N@H+]1C ZINC000344420792 444957491 /nfs/dbraw/zinc/95/74/91/444957491.db2.gz KLMSKMDEGSWZML-XJKSGUPXSA-N 2 1 332.448 1.286 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000341712532 444965191 /nfs/dbraw/zinc/96/51/91/444965191.db2.gz QNPMCYTWLZDMDH-UHFFFAOYSA-N 2 1 346.519 1.603 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000343105369 445070011 /nfs/dbraw/zinc/07/00/11/445070011.db2.gz HWFNWUPKQSIMJR-BHIYHBOVSA-N 2 1 345.487 1.591 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000343105369 445070016 /nfs/dbraw/zinc/07/00/16/445070016.db2.gz HWFNWUPKQSIMJR-BHIYHBOVSA-N 2 1 345.487 1.591 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000343105369 445070018 /nfs/dbraw/zinc/07/00/18/445070018.db2.gz HWFNWUPKQSIMJR-BHIYHBOVSA-N 2 1 345.487 1.591 20 0 EDADMP CC1CC[NH+](CCNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000337345423 445040373 /nfs/dbraw/zinc/04/03/73/445040373.db2.gz VAHBBOADHVRNEN-CALCHBBNSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000344930042 445151531 /nfs/dbraw/zinc/15/15/31/445151531.db2.gz OAMCGWIMDQJRMQ-FUHWJXTLSA-N 2 1 347.528 1.920 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000344930042 445151534 /nfs/dbraw/zinc/15/15/34/445151534.db2.gz OAMCGWIMDQJRMQ-FUHWJXTLSA-N 2 1 347.528 1.920 20 0 EDADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)OCCO2 ZINC000346084274 445205807 /nfs/dbraw/zinc/20/58/07/445205807.db2.gz CMHPFSJESFSQOO-GOEBONIOSA-N 2 1 347.459 1.696 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC2=CC[N@H+](C)CC2)C[C@@H](C)O1 ZINC000343361895 445210015 /nfs/dbraw/zinc/21/00/15/445210015.db2.gz QFYIYXWNBUENDC-HUUCEWRRSA-N 2 1 338.496 1.435 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC2=CC[N@@H+](C)CC2)C[C@@H](C)O1 ZINC000343361895 445210016 /nfs/dbraw/zinc/21/00/16/445210016.db2.gz QFYIYXWNBUENDC-HUUCEWRRSA-N 2 1 338.496 1.435 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000346964289 445228959 /nfs/dbraw/zinc/22/89/59/445228959.db2.gz NJNHMZFKRJJRKE-HNNXBMFYSA-N 2 1 326.485 1.271 20 0 EDADMP CN(C)c1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347111542 445232046 /nfs/dbraw/zinc/23/20/46/445232046.db2.gz QUPKHPHLHBQKSP-QGZVFWFLSA-N 2 1 330.476 1.396 20 0 EDADMP C[C@@H]1[C@@H]([NH+](C)CCO)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000347085552 445231383 /nfs/dbraw/zinc/23/13/83/445231383.db2.gz LYWQAYYWYUQRQQ-NUJGCVRESA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000347085552 445231384 /nfs/dbraw/zinc/23/13/84/445231384.db2.gz LYWQAYYWYUQRQQ-NUJGCVRESA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000347085552 445231385 /nfs/dbraw/zinc/23/13/85/445231385.db2.gz LYWQAYYWYUQRQQ-NUJGCVRESA-N 2 1 337.508 1.555 20 0 EDADMP C[N@@H+](CC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@H]1CCSC1 ZINC000343536705 445240363 /nfs/dbraw/zinc/24/03/63/445240363.db2.gz HQKSBAVGYJEKPK-CVEARBPZSA-N 2 1 325.522 1.901 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCC[N@H+]1C ZINC000343626012 445268996 /nfs/dbraw/zinc/26/89/96/445268996.db2.gz OJFFYKCJGPMUFB-CRAIPNDOSA-N 2 1 345.491 1.828 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@@H](OC)C[C@@H]1C[NH+]1CCCC1)C1CC1 ZINC000348123224 445280776 /nfs/dbraw/zinc/28/07/76/445280776.db2.gz DGFFEJVZELZVPV-SJORKVTESA-N 2 1 338.496 1.365 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000351852269 445343632 /nfs/dbraw/zinc/34/36/32/445343632.db2.gz MGYWNFDCZPMKOI-IEBWSBKVSA-N 2 1 344.503 1.308 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000359738708 445400703 /nfs/dbraw/zinc/40/07/03/445400703.db2.gz JLKZVBXIRSQERD-UHFFFAOYSA-N 2 1 349.479 1.258 20 0 EDADMP CC1(C)C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1[C@@H]1CCCO1 ZINC000351980461 445415510 /nfs/dbraw/zinc/41/55/10/445415510.db2.gz CGVLWBVRPBKLQO-FUHWJXTLSA-N 2 1 335.492 1.619 20 0 EDADMP CC1(C)C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1[C@@H]1CCCO1 ZINC000351980461 445415514 /nfs/dbraw/zinc/41/55/14/445415514.db2.gz CGVLWBVRPBKLQO-FUHWJXTLSA-N 2 1 335.492 1.619 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](CCCC(=O)NC(N)=O)CC1)CC1CC1 ZINC000357085801 445417864 /nfs/dbraw/zinc/41/78/64/445417864.db2.gz OIDORYDFFWFRRV-UHFFFAOYSA-N 2 1 338.496 1.796 20 0 EDADMP CCCCN(C)S(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000357055248 445398013 /nfs/dbraw/zinc/39/80/13/445398013.db2.gz UIAAVOIRTFJMHB-INIZCTEOSA-N 2 1 348.557 1.311 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000355481040 445464083 /nfs/dbraw/zinc/46/40/83/445464083.db2.gz MCRBZCFLJQKFEB-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000355481040 445464085 /nfs/dbraw/zinc/46/40/85/445464085.db2.gz MCRBZCFLJQKFEB-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000357295013 445531455 /nfs/dbraw/zinc/53/14/55/445531455.db2.gz ZJSKEKIYWGOEIX-AYBZRNKSSA-N 2 1 348.491 1.352 20 0 EDADMP C[NH+](C)Cc1cnc(C[NH2+]CCC2CCS(=O)(=O)CC2)s1 ZINC000352735959 445551546 /nfs/dbraw/zinc/55/15/46/445551546.db2.gz JKZMIXWKFBKRDG-UHFFFAOYSA-N 2 1 331.507 1.509 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000352682527 445547951 /nfs/dbraw/zinc/54/79/51/445547951.db2.gz DRFONBBFYGAQTR-UHFFFAOYSA-N 3 1 341.544 1.386 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000352682527 445547955 /nfs/dbraw/zinc/54/79/55/445547955.db2.gz DRFONBBFYGAQTR-UHFFFAOYSA-N 3 1 341.544 1.386 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000352682527 445547957 /nfs/dbraw/zinc/54/79/57/445547957.db2.gz DRFONBBFYGAQTR-UHFFFAOYSA-N 2 1 341.544 1.386 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000352682527 445547964 /nfs/dbraw/zinc/54/79/64/445547964.db2.gz DRFONBBFYGAQTR-UHFFFAOYSA-N 2 1 341.544 1.386 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000352682527 445547969 /nfs/dbraw/zinc/54/79/69/445547969.db2.gz DRFONBBFYGAQTR-UHFFFAOYSA-N 2 1 341.544 1.386 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CN2CCCC2=O)[C@@H](C)C1 ZINC000358014800 445600015 /nfs/dbraw/zinc/60/00/15/445600015.db2.gz DDHAIZYEYZMSIY-ULQDDVLXSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000362916654 445608651 /nfs/dbraw/zinc/60/86/51/445608651.db2.gz CAXLNJDASUCRMM-NVXWUHKLSA-N 2 1 347.507 1.431 20 0 EDADMP CCCC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C(=O)Nc1cc(C)on1 ZINC000362937369 445616443 /nfs/dbraw/zinc/61/64/43/445616443.db2.gz YKJDITWNVQFKDT-KBPBESRZSA-N 2 1 331.420 2.281 20 0 EDADMP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000356126041 445635743 /nfs/dbraw/zinc/63/57/43/445635743.db2.gz RQFPVHYHKSKOJL-GOSISDBHSA-N 2 1 330.476 1.902 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000349660467 445637795 /nfs/dbraw/zinc/63/77/95/445637795.db2.gz BZBLLKIPJVKATB-QZTJIDSGSA-N 2 1 348.491 1.179 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000362986400 445639477 /nfs/dbraw/zinc/63/94/77/445639477.db2.gz KLWVVPITKNAKSI-YOEHRIQHSA-N 2 1 331.460 1.780 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCSC1 ZINC000360248758 445655736 /nfs/dbraw/zinc/65/57/36/445655736.db2.gz JNQZLBARQZPSDE-DZKIICNBSA-N 2 1 326.510 1.350 20 0 EDADMP C[N@@H+](C1CCN(CCO)CC1)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000360283625 445675387 /nfs/dbraw/zinc/67/53/87/445675387.db2.gz BFEAFHPNJJWKOC-SFHVURJKSA-N 2 1 349.450 1.710 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NCCC[NH+]2CCC(O)CC2)[C@@H](C)C1 ZINC000360338147 445699949 /nfs/dbraw/zinc/69/99/49/445699949.db2.gz PBMJJRMFBIXOON-PKOBYXMFSA-N 3 1 341.540 1.560 20 0 EDADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349903793 445716990 /nfs/dbraw/zinc/71/69/90/445716990.db2.gz BJYOJNMSMMXHMK-BZSNNMDCSA-N 2 1 327.513 1.120 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356299486 445725221 /nfs/dbraw/zinc/72/52/21/445725221.db2.gz OFSNECCDPMROPR-UHFFFAOYSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000349937330 445726678 /nfs/dbraw/zinc/72/66/78/445726678.db2.gz SEGCSWAOUAVGHG-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000363235155 445733698 /nfs/dbraw/zinc/73/36/98/445733698.db2.gz YWPIXCIKTONTAG-QAPCUYQASA-N 2 1 345.491 1.685 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000363235155 445733701 /nfs/dbraw/zinc/73/37/01/445733701.db2.gz YWPIXCIKTONTAG-QAPCUYQASA-N 2 1 345.491 1.685 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC(=O)NCC[N@@H+](C)C1CC1 ZINC000363235155 445733705 /nfs/dbraw/zinc/73/37/05/445733705.db2.gz YWPIXCIKTONTAG-QAPCUYQASA-N 2 1 345.491 1.685 20 0 EDADMP COc1cc2[nH+]c(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)nc(N)c2cc1OC ZINC000361068330 445746924 /nfs/dbraw/zinc/74/69/24/445746924.db2.gz VHVCMBFZFSOZPP-WDEREUQCSA-N 2 1 331.420 1.546 20 0 EDADMP COc1cc2[nH+]c(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)nc(N)c2cc1OC ZINC000361068330 445746929 /nfs/dbraw/zinc/74/69/29/445746929.db2.gz VHVCMBFZFSOZPP-WDEREUQCSA-N 2 1 331.420 1.546 20 0 EDADMP C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000356353916 445749586 /nfs/dbraw/zinc/74/95/86/445749586.db2.gz CPSUOUDZHVUIND-NVXWUHKLSA-N 2 1 333.480 1.211 20 0 EDADMP C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000356353916 445749589 /nfs/dbraw/zinc/74/95/89/445749589.db2.gz CPSUOUDZHVUIND-NVXWUHKLSA-N 2 1 333.480 1.211 20 0 EDADMP C[C@@H]1CC[C@H]([N@H+](CCO)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000356353918 445749823 /nfs/dbraw/zinc/74/98/23/445749823.db2.gz CPSUOUDZHVUIND-WBVHZDCISA-N 2 1 333.480 1.211 20 0 EDADMP C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000356353918 445749826 /nfs/dbraw/zinc/74/98/26/445749826.db2.gz CPSUOUDZHVUIND-WBVHZDCISA-N 2 1 333.480 1.211 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000353793603 445759602 /nfs/dbraw/zinc/75/96/02/445759602.db2.gz XGFSVZVNCAOWIJ-UHFFFAOYSA-N 2 1 326.510 1.351 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC000350182315 445787998 /nfs/dbraw/zinc/78/79/98/445787998.db2.gz YATQYKXBYMCCSK-KRWDZBQOSA-N 2 1 337.464 1.671 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC000350182315 445788005 /nfs/dbraw/zinc/78/80/05/445788005.db2.gz YATQYKXBYMCCSK-KRWDZBQOSA-N 2 1 337.464 1.671 20 0 EDADMP C[NH+](C)CCOc1cnccc1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000356462816 445803377 /nfs/dbraw/zinc/80/33/77/445803377.db2.gz VMCLZSYBMFVTIK-MRXNPFEDSA-N 2 1 332.448 1.265 20 0 EDADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000353919067 445812415 /nfs/dbraw/zinc/81/24/15/445812415.db2.gz XLFNITWIMDWWGA-KRWDZBQOSA-N 2 1 338.540 1.593 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000353919067 445812419 /nfs/dbraw/zinc/81/24/19/445812419.db2.gz XLFNITWIMDWWGA-KRWDZBQOSA-N 2 1 338.540 1.593 20 0 EDADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000356610630 445884205 /nfs/dbraw/zinc/88/42/05/445884205.db2.gz UNUQLGKZWPILJN-ROUUACIJSA-N 2 1 338.540 1.593 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)CC1 ZINC000361592648 445838394 /nfs/dbraw/zinc/83/83/94/445838394.db2.gz CITDFTPFJADUBO-FQEVSTJZSA-N 2 1 345.487 1.223 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](CO)(c3ccccc3)C2)CC1 ZINC000361592648 445838398 /nfs/dbraw/zinc/83/83/98/445838398.db2.gz CITDFTPFJADUBO-FQEVSTJZSA-N 2 1 345.487 1.223 20 0 EDADMP Cc1cccc(NC2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)[nH+]1 ZINC000363523008 445844599 /nfs/dbraw/zinc/84/45/99/445844599.db2.gz QZIVIFZHWSWOOI-MRXNPFEDSA-N 2 1 332.448 1.250 20 0 EDADMP CS[C@@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C[C@@H]1[NH+]1CCCC1 ZINC000361626667 445855175 /nfs/dbraw/zinc/85/51/75/445855175.db2.gz XZMJZWXUYCISBZ-SOUVJXGZSA-N 2 1 343.562 1.462 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000363556641 445857530 /nfs/dbraw/zinc/85/75/30/445857530.db2.gz CFJUNOSNIUCRCD-GOSISDBHSA-N 2 1 330.476 1.894 20 0 EDADMP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC000356591141 445875360 /nfs/dbraw/zinc/87/53/60/445875360.db2.gz CMIYADKIGZGQLJ-GOSISDBHSA-N 2 1 338.540 1.737 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000350732658 445891505 /nfs/dbraw/zinc/89/15/05/445891505.db2.gz QSZROMQFLMLQPC-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)CC1 ZINC000365918973 445906656 /nfs/dbraw/zinc/90/66/56/445906656.db2.gz HVRXSSXACSOYQP-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000365918973 445906660 /nfs/dbraw/zinc/90/66/60/445906660.db2.gz HVRXSSXACSOYQP-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP COCCC[NH+]1CCCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000365918973 445906665 /nfs/dbraw/zinc/90/66/65/445906665.db2.gz HVRXSSXACSOYQP-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000356644517 445909236 /nfs/dbraw/zinc/90/92/36/445909236.db2.gz AMNOBLUNMICBQI-JKSUJKDBSA-N 2 1 340.512 1.659 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000361743076 445910320 /nfs/dbraw/zinc/91/03/20/445910320.db2.gz BWMBIMHSHCFGRI-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000361753231 445916981 /nfs/dbraw/zinc/91/69/81/445916981.db2.gz HEHCYMDDRIXZMX-GVDBMIGSSA-N 2 1 341.496 1.007 20 0 EDADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000350940813 445954106 /nfs/dbraw/zinc/95/41/06/445954106.db2.gz MUEJHGIGIFJHGD-ZDUSSCGKSA-N 2 1 335.500 1.635 20 0 EDADMP CN1CCc2ncnc(N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)c2C1 ZINC000364842719 445960487 /nfs/dbraw/zinc/96/04/87/445960487.db2.gz IRFAXOYFDQWPFS-MRXNPFEDSA-N 2 1 344.507 1.071 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000351010619 445968862 /nfs/dbraw/zinc/96/88/62/445968862.db2.gz RGRZYRBLXHKXPL-OAGGEKHMSA-N 2 1 340.512 1.022 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](CCOC)C2)C[C@H]1C ZINC000361791984 445949447 /nfs/dbraw/zinc/94/94/47/445949447.db2.gz HROIGJMBMIVABL-PMPSAXMXSA-N 2 1 326.485 1.221 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C[C@H]1C ZINC000361791984 445949449 /nfs/dbraw/zinc/94/94/49/445949449.db2.gz HROIGJMBMIVABL-PMPSAXMXSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@H+]1C[C@@H](O)C1CCCCC1 ZINC000365074996 446009524 /nfs/dbraw/zinc/00/95/24/446009524.db2.gz XYDICEWXFBGOPW-NZSAHSFTSA-N 2 1 339.524 1.264 20 0 EDADMP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@@H](O)C1CCCCC1 ZINC000365074996 446009537 /nfs/dbraw/zinc/00/95/37/446009537.db2.gz XYDICEWXFBGOPW-NZSAHSFTSA-N 2 1 339.524 1.264 20 0 EDADMP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@@H](O)C1CCCCC1 ZINC000365074996 446009541 /nfs/dbraw/zinc/00/95/41/446009541.db2.gz XYDICEWXFBGOPW-NZSAHSFTSA-N 2 1 339.524 1.264 20 0 EDADMP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@@H](O)C1CCCCC1 ZINC000365074996 446009545 /nfs/dbraw/zinc/00/95/45/446009545.db2.gz XYDICEWXFBGOPW-NZSAHSFTSA-N 2 1 339.524 1.264 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000583153378 326015309 /nfs/dbraw/zinc/01/53/09/326015309.db2.gz KMQWOYPBLSPJOK-WMZOPIPTSA-N 2 1 341.459 1.272 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583430252 326071041 /nfs/dbraw/zinc/07/10/41/326071041.db2.gz CGZCRCRGKLYUKW-RYQLBKOJSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583430252 326071045 /nfs/dbraw/zinc/07/10/45/326071045.db2.gz CGZCRCRGKLYUKW-RYQLBKOJSA-N 2 1 346.475 1.327 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COc1ccc(Cl)cc1 ZINC000583631471 326108056 /nfs/dbraw/zinc/10/80/56/326108056.db2.gz YMJVHDNLFHSMJR-JKSUJKDBSA-N 2 1 342.867 1.516 20 0 EDADMP Cc1nc[nH]c1CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000366177638 446065450 /nfs/dbraw/zinc/06/54/50/446065450.db2.gz DHWRVVDQYGNRJS-KRWDZBQOSA-N 2 1 326.444 1.941 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCN(Cc4cccs4)CC3)C[C@@H]12 ZINC000351479282 446078968 /nfs/dbraw/zinc/07/89/68/446078968.db2.gz REEGDQWOFHBQEP-DJIMGWMZSA-N 2 1 348.516 1.061 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCN(Cc4cccs4)CC3)C[C@@H]12 ZINC000351479282 446078977 /nfs/dbraw/zinc/07/89/77/446078977.db2.gz REEGDQWOFHBQEP-DJIMGWMZSA-N 2 1 348.516 1.061 20 0 EDADMP CC[C@@H](C(=O)N[C@@H]1CC[NH+](CCOC)C1)[N@@H+](C)Cc1ccccc1 ZINC000354286253 446082711 /nfs/dbraw/zinc/08/27/11/446082711.db2.gz XGBOWLXDECORPK-MSOLQXFVSA-N 2 1 333.476 1.734 20 0 EDADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCOC)C1)[NH+](C)Cc1ccccc1 ZINC000354286253 446082720 /nfs/dbraw/zinc/08/27/20/446082720.db2.gz XGBOWLXDECORPK-MSOLQXFVSA-N 2 1 333.476 1.734 20 0 EDADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCOC)C1)[NH+](C)Cc1ccccc1 ZINC000354286253 446082732 /nfs/dbraw/zinc/08/27/32/446082732.db2.gz XGBOWLXDECORPK-MSOLQXFVSA-N 2 1 333.476 1.734 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CC)C2)[C@H](C)C1 ZINC000361943170 446092444 /nfs/dbraw/zinc/09/24/44/446092444.db2.gz AZVCGGJHXRXMNN-ZACQAIPSSA-N 2 1 325.497 1.724 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1OC ZINC000351491290 446093061 /nfs/dbraw/zinc/09/30/61/446093061.db2.gz JJGHHKALAONCKH-NUEKZKHPSA-N 2 1 347.459 1.331 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1OC ZINC000351491290 446093067 /nfs/dbraw/zinc/09/30/67/446093067.db2.gz JJGHHKALAONCKH-NUEKZKHPSA-N 2 1 347.459 1.331 20 0 EDADMP COc1ccc(CN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C2CC2)cc1 ZINC000351494108 446098565 /nfs/dbraw/zinc/09/85/65/446098565.db2.gz NJMWYGJVOTYEQZ-IPELMVKDSA-N 2 1 343.471 1.855 20 0 EDADMP COc1ccc(CN(C(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C2CC2)cc1 ZINC000351494108 446098567 /nfs/dbraw/zinc/09/85/67/446098567.db2.gz NJMWYGJVOTYEQZ-IPELMVKDSA-N 2 1 343.471 1.855 20 0 EDADMP CCN(CC)C(=O)CCC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351595545 446191686 /nfs/dbraw/zinc/19/16/86/446191686.db2.gz REBFFAWFYVAEHB-GOSISDBHSA-N 2 1 339.524 1.802 20 0 EDADMP CCN(CC)C(=O)CCC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351595545 446191692 /nfs/dbraw/zinc/19/16/92/446191692.db2.gz REBFFAWFYVAEHB-GOSISDBHSA-N 2 1 339.524 1.802 20 0 EDADMP C[NH2+]CC1CCN(C(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)CC1 ZINC000366321685 446149525 /nfs/dbraw/zinc/14/95/25/446149525.db2.gz HWBHZCGZTHYRTM-LJQANCHMSA-N 2 1 331.460 1.684 20 0 EDADMP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH2+]2)[C@@H]1c1cccc(Cl)c1 ZINC000366327929 446153821 /nfs/dbraw/zinc/15/38/21/446153821.db2.gz IMFDURWZROIBHL-BMFZPTHFSA-N 2 1 337.851 1.437 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH2+]2)[C@@H]1c1cccc(Cl)c1 ZINC000366327929 446153828 /nfs/dbraw/zinc/15/38/28/446153828.db2.gz IMFDURWZROIBHL-BMFZPTHFSA-N 2 1 337.851 1.437 20 0 EDADMP Cc1[nH+]ccn1-c1cccc(NCCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000365467243 446221671 /nfs/dbraw/zinc/22/16/71/446221671.db2.gz USDZFKFTJLOBJH-OAHLLOKOSA-N 2 1 329.448 2.489 20 0 EDADMP Cc1[nH+]ccn1-c1cccc(NCCC[N@H+]2CCCO[C@H](C)C2)n1 ZINC000365467243 446221673 /nfs/dbraw/zinc/22/16/73/446221673.db2.gz USDZFKFTJLOBJH-OAHLLOKOSA-N 2 1 329.448 2.489 20 0 EDADMP Cc1ncc2n1CC[C@@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)C2 ZINC000365673438 446296071 /nfs/dbraw/zinc/29/60/71/446296071.db2.gz IVPOYZJBCIKMKO-MRXNPFEDSA-N 2 1 335.496 1.096 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000417441705 446351773 /nfs/dbraw/zinc/35/17/73/446351773.db2.gz QRRMUROKUWJJIG-UHFFFAOYSA-N 2 1 338.496 1.017 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](CCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000374178526 446356722 /nfs/dbraw/zinc/35/67/22/446356722.db2.gz PNKUGVZBBBFLED-UHFFFAOYSA-N 2 1 348.491 1.659 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370646415 446370881 /nfs/dbraw/zinc/37/08/81/446370881.db2.gz UFLIVYCEYYNDQO-AKHDSKFASA-N 2 1 339.524 1.576 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370646415 446370882 /nfs/dbraw/zinc/37/08/82/446370882.db2.gz UFLIVYCEYYNDQO-AKHDSKFASA-N 2 1 339.524 1.576 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370646415 446370884 /nfs/dbraw/zinc/37/08/84/446370884.db2.gz UFLIVYCEYYNDQO-AKHDSKFASA-N 2 1 339.524 1.576 20 0 EDADMP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370646415 446370893 /nfs/dbraw/zinc/37/08/93/446370893.db2.gz UFLIVYCEYYNDQO-AKHDSKFASA-N 2 1 339.524 1.576 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000417747758 446372078 /nfs/dbraw/zinc/37/20/78/446372078.db2.gz JDWOBWDZNAYNEM-IAGOWNOFSA-N 2 1 339.528 1.044 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000417896425 446378852 /nfs/dbraw/zinc/37/88/52/446378852.db2.gz VUJBEHOZWKPSMY-SQNIBIBYSA-N 2 1 336.524 1.995 20 0 EDADMP COCC1(CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC[NH2+]CC1 ZINC000417896539 446379056 /nfs/dbraw/zinc/37/90/56/446379056.db2.gz VZDBMLNPFPGYMK-INIZCTEOSA-N 2 1 340.512 1.280 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417897796 446379870 /nfs/dbraw/zinc/37/98/70/446379870.db2.gz XAHTXWBGTMPEKV-SFHVURJKSA-N 2 1 347.507 1.838 20 0 EDADMP COc1ncc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C)n1 ZINC000366851894 446382540 /nfs/dbraw/zinc/38/25/40/446382540.db2.gz OLCKPBSAHCXPGD-QGZVFWFLSA-N 2 1 333.480 1.394 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000365877385 446384400 /nfs/dbraw/zinc/38/44/00/446384400.db2.gz KSKQPTKLGKPXGB-HZPDHXFCSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000365877385 446384406 /nfs/dbraw/zinc/38/44/06/446384406.db2.gz KSKQPTKLGKPXGB-HZPDHXFCSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000365877385 446384411 /nfs/dbraw/zinc/38/44/11/446384411.db2.gz KSKQPTKLGKPXGB-HZPDHXFCSA-N 2 1 340.512 1.611 20 0 EDADMP COC[C@@]1(CNC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CCC[NH2+]1 ZINC000417918876 446385872 /nfs/dbraw/zinc/38/58/72/446385872.db2.gz PIQWXPADWGCHMT-AEFFLSMTSA-N 2 1 340.512 1.565 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000374803392 446400552 /nfs/dbraw/zinc/40/05/52/446400552.db2.gz UONFUEXLHFPDDG-UHFFFAOYSA-N 2 1 330.472 1.834 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cnn3ccccc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370700302 446393413 /nfs/dbraw/zinc/39/34/13/446393413.db2.gz SCJMABVBBZJJOI-SJLPKXTDSA-N 2 1 327.476 1.792 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cnn3ccccc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370700302 446393417 /nfs/dbraw/zinc/39/34/17/446393417.db2.gz SCJMABVBBZJJOI-SJLPKXTDSA-N 2 1 327.476 1.792 20 0 EDADMP C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000374875072 446428834 /nfs/dbraw/zinc/42/88/34/446428834.db2.gz HOXHJQKDMCNOEL-CRAIPNDOSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000374875072 446428843 /nfs/dbraw/zinc/42/88/43/446428843.db2.gz HOXHJQKDMCNOEL-CRAIPNDOSA-N 2 1 331.460 1.475 20 0 EDADMP O[C@H](C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1)C1CCCCC1 ZINC000366964514 446431120 /nfs/dbraw/zinc/43/11/20/446431120.db2.gz UWFBQJKGUCOEIT-LJQANCHMSA-N 2 1 339.524 1.268 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N[C@@H](CC[NH3+])C(F)F)n1 ZINC000420256781 446434513 /nfs/dbraw/zinc/43/45/13/446434513.db2.gz DBAADHDXBUHICD-OBJOEFQTSA-N 2 1 343.422 2.487 20 0 EDADMP COCC[C@@]1(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000370778568 446437218 /nfs/dbraw/zinc/43/72/18/446437218.db2.gz GKPWGWZQMKZNAR-JXFKEZNVSA-N 2 1 345.487 1.566 20 0 EDADMP CN1CC[NH2+]C[C@H]1CNc1cc[nH+]c2ccc(Br)cc12 ZINC000420275036 446444566 /nfs/dbraw/zinc/44/45/66/446444566.db2.gz NOOWRMIOXTYQCH-LBPRGKRZSA-N 2 1 335.249 1.735 20 0 EDADMP C[C@@H](CCCC[NH3+])[NH2+]Cc1nn(C)cc1I ZINC000423168488 446445615 /nfs/dbraw/zinc/44/56/15/446445615.db2.gz YBTZJZTTWRNZKG-VIFPVBQESA-N 2 1 336.221 1.632 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CCC(O)(C[NH3+])CC2)cc[nH+]1 ZINC000420276426 446446771 /nfs/dbraw/zinc/44/67/71/446446771.db2.gz RQFOHCJXFJURLJ-ZBFHGGJFSA-N 2 1 349.479 1.382 20 0 EDADMP CC[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000423170125 446446767 /nfs/dbraw/zinc/44/67/67/446446767.db2.gz LASIUYDVQGHAIN-IAGOWNOFSA-N 2 1 325.497 1.378 20 0 EDADMP C[NH+]1CCN(C(=O)CCN2CCC[C@@H]2C[NH+]2CCCCCC2)CC1 ZINC000366993627 446450605 /nfs/dbraw/zinc/45/06/05/446450605.db2.gz DNBHNMPZXZXLPD-GOSISDBHSA-N 2 1 336.524 1.491 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH2+]Cc1cccnc1)C1=CC[N@@H+](C)CC1 ZINC000417989899 446408596 /nfs/dbraw/zinc/40/85/96/446408596.db2.gz JZTVYBJMKUKHLG-OAHLLOKOSA-N 2 1 331.464 1.511 20 0 EDADMP C[N@H+](CC(=O)NCC(F)(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374847785 446416287 /nfs/dbraw/zinc/41/62/87/446416287.db2.gz SSWBTIUJOLLXMD-UHFFFAOYSA-N 2 1 344.381 1.908 20 0 EDADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000418037738 446422039 /nfs/dbraw/zinc/42/20/39/446422039.db2.gz REJVWSDCFZDXJK-SQNIBIBYSA-N 2 1 348.491 1.117 20 0 EDADMP CC[NH2+]CCNC(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000418190176 446454448 /nfs/dbraw/zinc/45/44/48/446454448.db2.gz WEOBSGPNQKIKFE-IRXDYDNUSA-N 2 1 334.464 1.357 20 0 EDADMP CC[NH2+]CCNC(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000418190176 446454454 /nfs/dbraw/zinc/45/44/54/446454454.db2.gz WEOBSGPNQKIKFE-IRXDYDNUSA-N 2 1 334.464 1.357 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@]2([NH+](C)C)CCCSC2)C1 ZINC000367019180 446466408 /nfs/dbraw/zinc/46/64/08/446466408.db2.gz GTIZOYZEVZUHBN-NVXWUHKLSA-N 2 1 327.538 1.908 20 0 EDADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423298331 446477796 /nfs/dbraw/zinc/47/77/96/446477796.db2.gz OBSZHTQWXBSHTQ-XJKSGUPXSA-N 2 1 325.478 1.819 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000423302810 446479262 /nfs/dbraw/zinc/47/92/62/446479262.db2.gz KQXHKQHBSWDEPR-GOSISDBHSA-N 2 1 333.476 1.535 20 0 EDADMP COC(=O)c1cc2cc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)ccc2o1 ZINC000420320053 446486150 /nfs/dbraw/zinc/48/61/50/446486150.db2.gz SLVMHVSCJDGNMK-MRXNPFEDSA-N 2 1 343.427 1.699 20 0 EDADMP CCc1ccnc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000374997333 446502740 /nfs/dbraw/zinc/50/27/40/446502740.db2.gz JWCKUKWJKVUKDN-QGZVFWFLSA-N 2 1 330.476 1.885 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418332540 446504191 /nfs/dbraw/zinc/50/41/91/446504191.db2.gz SVHXZBWLSQFOBX-QGZVFWFLSA-N 2 1 333.480 1.687 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418335086 446506099 /nfs/dbraw/zinc/50/60/99/446506099.db2.gz YWBUTVDOAMOGHN-KRWDZBQOSA-N 2 1 333.480 1.685 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)CC12CCOCC2 ZINC000420338407 446508546 /nfs/dbraw/zinc/50/85/46/446508546.db2.gz XYCZGKCLFWOKJM-NVXWUHKLSA-N 2 1 329.444 1.479 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)CC12CCOCC2 ZINC000420338407 446508554 /nfs/dbraw/zinc/50/85/54/446508554.db2.gz XYCZGKCLFWOKJM-NVXWUHKLSA-N 2 1 329.444 1.479 20 0 EDADMP [NH3+]C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1CCCO)C1CCCCC1 ZINC000418343109 446509229 /nfs/dbraw/zinc/50/92/29/446509229.db2.gz AMFFWACIHXYKPL-CVEARBPZSA-N 2 1 326.485 1.040 20 0 EDADMP C[C@H](NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418342746 446509340 /nfs/dbraw/zinc/50/93/40/446509340.db2.gz NESPMRNSNJWLJG-YTQUADARSA-N 2 1 344.503 1.943 20 0 EDADMP C[C@H](NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418342746 446509344 /nfs/dbraw/zinc/50/93/44/446509344.db2.gz NESPMRNSNJWLJG-YTQUADARSA-N 2 1 344.503 1.943 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420341108 446511837 /nfs/dbraw/zinc/51/18/37/446511837.db2.gz NQTDSNSJRNGGFS-QZTJIDSGSA-N 2 1 345.487 1.975 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418359253 446512844 /nfs/dbraw/zinc/51/28/44/446512844.db2.gz ZTOGACNQGOTIQP-YESZJQIVSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418360938 446513533 /nfs/dbraw/zinc/51/35/33/446513533.db2.gz KPSMIRDWNNOQQX-RDJZCZTQSA-N 2 1 339.528 1.219 20 0 EDADMP C[NH2+]CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000418325710 446498985 /nfs/dbraw/zinc/49/89/85/446498985.db2.gz JYDZWRKUZQSPRX-DLBZAZTESA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329694 446499687 /nfs/dbraw/zinc/49/96/87/446499687.db2.gz ORWLNZMIFGAUFH-YZUHTNEWSA-N 2 1 337.508 1.757 20 0 EDADMP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329694 446499692 /nfs/dbraw/zinc/49/96/92/446499692.db2.gz ORWLNZMIFGAUFH-YZUHTNEWSA-N 2 1 337.508 1.757 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000418480049 446559442 /nfs/dbraw/zinc/55/94/42/446559442.db2.gz CASDMOAJPVOOAH-QGZVFWFLSA-N 2 1 332.492 1.931 20 0 EDADMP CC[C@@H]1CN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC[N@H+]1C[C@@H](C)O ZINC000418481411 446559817 /nfs/dbraw/zinc/55/98/17/446559817.db2.gz DKFRYFMEZMIOSL-IIDMSEBBSA-N 2 1 348.491 1.693 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418486076 446561821 /nfs/dbraw/zinc/56/18/21/446561821.db2.gz INRGSQXVSVLBGP-MAUKXSAKSA-N 2 1 330.476 1.887 20 0 EDADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348147 446522816 /nfs/dbraw/zinc/52/28/16/446522816.db2.gz JUVZBJVFIRUIIP-CJNGLKHVSA-N 2 1 336.867 1.647 20 0 EDADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348147 446522822 /nfs/dbraw/zinc/52/28/22/446522822.db2.gz JUVZBJVFIRUIIP-CJNGLKHVSA-N 2 1 336.867 1.647 20 0 EDADMP Fc1ccc(-n2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c(F)c1 ZINC000420347482 446523968 /nfs/dbraw/zinc/52/39/68/446523968.db2.gz GWDUSICACXCOTB-INIZCTEOSA-N 2 1 347.413 1.630 20 0 EDADMP Fc1ccc(-n2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c(F)c1 ZINC000420347482 446523976 /nfs/dbraw/zinc/52/39/76/446523976.db2.gz GWDUSICACXCOTB-INIZCTEOSA-N 2 1 347.413 1.630 20 0 EDADMP CN(CCCOc1ccccc1)C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420353368 446534290 /nfs/dbraw/zinc/53/42/90/446534290.db2.gz BUAJUTGOSIGVNA-QGZVFWFLSA-N 2 1 333.476 1.892 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]([NH3+])C3CCC3)c2)CC1 ZINC000423436816 446537038 /nfs/dbraw/zinc/53/70/38/446537038.db2.gz SPPSZWKBZUHFFR-SFHVURJKSA-N 2 1 344.459 1.069 20 0 EDADMP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420356908 446537393 /nfs/dbraw/zinc/53/73/93/446537393.db2.gz HDGUOOCRZFQUQK-BCYZHJNNSA-N 2 1 346.471 1.723 20 0 EDADMP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420356908 446537401 /nfs/dbraw/zinc/53/74/01/446537401.db2.gz HDGUOOCRZFQUQK-BCYZHJNNSA-N 2 1 346.471 1.723 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000418421803 446538502 /nfs/dbraw/zinc/53/85/02/446538502.db2.gz CXPCNPFDFCRBGG-MSOLQXFVSA-N 2 1 348.491 1.829 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418419454 446538799 /nfs/dbraw/zinc/53/87/99/446538799.db2.gz XLZCSGKFKXEODQ-HZPDHXFCSA-N 2 1 327.517 1.029 20 0 EDADMP CN(CCCN(C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])CC[NH+](C)C ZINC000418419454 446538802 /nfs/dbraw/zinc/53/88/02/446538802.db2.gz XLZCSGKFKXEODQ-HZPDHXFCSA-N 2 1 327.517 1.029 20 0 EDADMP C[N@H+]1CC=C(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000375049533 446543924 /nfs/dbraw/zinc/54/39/24/446543924.db2.gz NKFAPKNRESUQGE-IAGOWNOFSA-N 2 1 336.480 1.191 20 0 EDADMP C[N@@H+]1CC=C(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000375049533 446543928 /nfs/dbraw/zinc/54/39/28/446543928.db2.gz NKFAPKNRESUQGE-IAGOWNOFSA-N 2 1 336.480 1.191 20 0 EDADMP C[C@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000453198622 446550194 /nfs/dbraw/zinc/55/01/94/446550194.db2.gz QCSFBKUYMPVZLJ-BEFAXECRSA-N 2 1 326.444 1.764 20 0 EDADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000423480351 446551750 /nfs/dbraw/zinc/55/17/50/446551750.db2.gz VUCVCDDZTDQGQA-BTHPGYMESA-N 3 1 347.478 1.875 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000420381917 446557150 /nfs/dbraw/zinc/55/71/50/446557150.db2.gz CXFHQWRSEWKIKD-WMZOPIPTSA-N 3 1 336.524 1.439 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000420381917 446557156 /nfs/dbraw/zinc/55/71/56/446557156.db2.gz CXFHQWRSEWKIKD-WMZOPIPTSA-N 3 1 336.524 1.439 20 0 EDADMP COCC[NH2+]CCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000418504256 446569467 /nfs/dbraw/zinc/56/94/67/446569467.db2.gz ASXHZZRJSFKBRV-IRXDYDNUSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@@H](C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C1C[NH2+]C1 ZINC000367649307 446572019 /nfs/dbraw/zinc/57/20/19/446572019.db2.gz RNOPAPJOSQYMFS-OAHLLOKOSA-N 2 1 337.508 1.772 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420400914 446573981 /nfs/dbraw/zinc/57/39/81/446573981.db2.gz IVGQLQYEJDAUNC-ANQUJSFKSA-N 2 1 331.460 1.932 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420400914 446573986 /nfs/dbraw/zinc/57/39/86/446573986.db2.gz IVGQLQYEJDAUNC-ANQUJSFKSA-N 2 1 331.460 1.932 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420403865 446575865 /nfs/dbraw/zinc/57/58/65/446575865.db2.gz LIOYQBRDNHTVIN-IXDOHACOSA-N 2 1 333.476 1.795 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420403865 446575872 /nfs/dbraw/zinc/57/58/72/446575872.db2.gz LIOYQBRDNHTVIN-IXDOHACOSA-N 2 1 333.476 1.795 20 0 EDADMP O=C1N[C@H]2C[N@@H+](CCCc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420406589 446580584 /nfs/dbraw/zinc/58/05/84/446580584.db2.gz RBEVEHBKTQPYFG-RBUKOAKNSA-N 2 1 342.487 1.839 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418532429 446583504 /nfs/dbraw/zinc/58/35/04/446583504.db2.gz SVDVJZFUBXBUPF-KFWWJZLASA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)NCCCOc2ccccc2F)C[C@H]1C[NH3+] ZINC000420417321 446591647 /nfs/dbraw/zinc/59/16/47/446591647.db2.gz WJPBZVGFDYZFFJ-HUUCEWRRSA-N 2 1 337.439 1.628 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCOc2ccccc2F)C[C@H]1C[NH3+] ZINC000420417321 446591649 /nfs/dbraw/zinc/59/16/49/446591649.db2.gz WJPBZVGFDYZFFJ-HUUCEWRRSA-N 2 1 337.439 1.628 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@@H]1CC ZINC000418558363 446593921 /nfs/dbraw/zinc/59/39/21/446593921.db2.gz XKFDLXCASPRDIG-WMZOPIPTSA-N 2 1 340.512 1.518 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000418591208 446605066 /nfs/dbraw/zinc/60/50/66/446605066.db2.gz CFQPVYGAMOPSNV-SJLPKXTDSA-N 2 1 330.476 1.963 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000418675199 446643722 /nfs/dbraw/zinc/64/37/22/446643722.db2.gz QNRDCEZTQJOJLG-UHFFFAOYSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[N@H+](C2CC2)C1 ZINC000418683159 446647145 /nfs/dbraw/zinc/64/71/45/446647145.db2.gz JBPUOJVYUZNSGD-AYOQOUSVSA-N 2 1 342.487 1.868 20 0 EDADMP CN(C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000418692080 446650927 /nfs/dbraw/zinc/65/09/27/446650927.db2.gz ZSQBXWKGMJPSLA-FGTMMUONSA-N 2 1 328.460 1.620 20 0 EDADMP C[C@@H](CCC[NH3+])NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418694885 446651678 /nfs/dbraw/zinc/65/16/78/446651678.db2.gz WPPCNDCXWFVAAI-HRCADAONSA-N 2 1 340.512 1.645 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCN1CCCOCC1 ZINC000368042754 446621373 /nfs/dbraw/zinc/62/13/73/446621373.db2.gz OGPKNZXHAYVYPQ-KURKYZTESA-N 2 1 325.497 1.188 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418627799 446621488 /nfs/dbraw/zinc/62/14/88/446621488.db2.gz OCANICGRIXGPHX-NXHRZFHOSA-N 2 1 330.476 1.758 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418632751 446623757 /nfs/dbraw/zinc/62/37/57/446623757.db2.gz HQVJYCUOMHLIBJ-MSOLQXFVSA-N 2 1 330.476 1.855 20 0 EDADMP CNC(=O)NC(=O)CN1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371096683 446626534 /nfs/dbraw/zinc/62/65/34/446626534.db2.gz BBDXEOGVTVZYOG-INIZCTEOSA-N 2 1 332.448 1.429 20 0 EDADMP COC[C@]1(CNC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418654733 446635273 /nfs/dbraw/zinc/63/52/73/446635273.db2.gz MPXMUZMHTLWICC-LJQANCHMSA-N 2 1 346.475 1.281 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000423853342 446731397 /nfs/dbraw/zinc/73/13/97/446731397.db2.gz WTSQWQXYBNPEKZ-IBGZPJMESA-N 2 1 344.459 1.289 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371291077 446747697 /nfs/dbraw/zinc/74/76/97/446747697.db2.gz XPRMZXABBQZBLP-MRXNPFEDSA-N 3 1 339.528 1.137 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371291077 446747705 /nfs/dbraw/zinc/74/77/05/446747705.db2.gz XPRMZXABBQZBLP-MRXNPFEDSA-N 2 1 339.528 1.137 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CC[C@H]21 ZINC000423895651 446750335 /nfs/dbraw/zinc/75/03/35/446750335.db2.gz GCIZDARYDTWHDI-RBUKOAKNSA-N 2 1 327.472 1.931 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000376872164 446768126 /nfs/dbraw/zinc/76/81/26/446768126.db2.gz IYUJKUFAZGEDRB-NJAFHUGGSA-N 2 1 346.475 1.140 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000376872164 446768132 /nfs/dbraw/zinc/76/81/32/446768132.db2.gz IYUJKUFAZGEDRB-NJAFHUGGSA-N 2 1 346.475 1.140 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000437947479 446779812 /nfs/dbraw/zinc/77/98/12/446779812.db2.gz OXAXOZWZYLRAOZ-CEXWTWQISA-N 2 1 345.487 1.829 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C[N@H+](C)Cc1ccccc1 ZINC000437947479 446779817 /nfs/dbraw/zinc/77/98/17/446779817.db2.gz OXAXOZWZYLRAOZ-CEXWTWQISA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[C@@H](C)[NH3+] ZINC000423930677 446781866 /nfs/dbraw/zinc/78/18/66/446781866.db2.gz LGRBZXBVHRCMCR-MXSMSXNCSA-N 2 1 349.523 1.881 20 0 EDADMP COCCn1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cn1 ZINC000371338030 446787289 /nfs/dbraw/zinc/78/72/89/446787289.db2.gz XZPOEMVXFLDADY-GOSISDBHSA-N 2 1 335.496 1.130 20 0 EDADMP CCOC(=O)CCCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371342054 446790226 /nfs/dbraw/zinc/79/02/26/446790226.db2.gz UKRUMWGAMVPTAD-SJORKVTESA-N 2 1 325.497 1.678 20 0 EDADMP CC[C@]1(C(=O)N(C)C2CC[NH+](Cc3cc(C)no3)CC2)CCC[NH2+]1 ZINC000368393361 446834557 /nfs/dbraw/zinc/83/45/57/446834557.db2.gz JVJBRQJWGBDWND-GOSISDBHSA-N 2 1 334.464 1.938 20 0 EDADMP C[N@H+]1CCCC12CCN(C(=O)[C@@H]1COCCN1CC1CCC1)CC2 ZINC000376987242 446841822 /nfs/dbraw/zinc/84/18/22/446841822.db2.gz HHDMSECEDNJDOH-KRWDZBQOSA-N 2 1 335.492 1.574 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H](C)[N@H+]1CCO ZINC000454318073 446843867 /nfs/dbraw/zinc/84/38/67/446843867.db2.gz JOXNDNDUYXDCRF-GASCZTMLSA-N 2 1 334.464 1.667 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H](C)[N@@H+]1CCO ZINC000454318073 446843873 /nfs/dbraw/zinc/84/38/73/446843873.db2.gz JOXNDNDUYXDCRF-GASCZTMLSA-N 2 1 334.464 1.667 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N1CCO[C@@H]3CCCC[C@H]31)CC[NH2+]CC2 ZINC000424284596 446865793 /nfs/dbraw/zinc/86/57/93/446865793.db2.gz DHEAFWZWNVTYJS-BRWVUGGUSA-N 2 1 335.492 1.620 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000419018009 446869663 /nfs/dbraw/zinc/86/96/63/446869663.db2.gz BICLFGVWELMAPM-HUUCEWRRSA-N 2 1 340.512 1.103 20 0 EDADMP COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420899935 446877265 /nfs/dbraw/zinc/87/72/65/446877265.db2.gz GYWMQSBELPRKAG-GOSISDBHSA-N 2 1 332.444 1.904 20 0 EDADMP COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420899935 446877269 /nfs/dbraw/zinc/87/72/69/446877269.db2.gz GYWMQSBELPRKAG-GOSISDBHSA-N 2 1 332.444 1.904 20 0 EDADMP CC(C)NS(=O)(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371493864 446891554 /nfs/dbraw/zinc/89/15/54/446891554.db2.gz VCRUOLHBDHGBGX-UHFFFAOYSA-N 2 1 346.541 1.015 20 0 EDADMP Cc1nc(C2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)n[nH]1 ZINC000375594615 446914030 /nfs/dbraw/zinc/91/40/30/446914030.db2.gz BEGVRWORECPYIW-UHFFFAOYSA-N 2 1 334.512 1.709 20 0 EDADMP Cc1nnc(C2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)[nH]1 ZINC000375594615 446914035 /nfs/dbraw/zinc/91/40/35/446914035.db2.gz BEGVRWORECPYIW-UHFFFAOYSA-N 2 1 334.512 1.709 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)ccn1 ZINC000371545013 446924252 /nfs/dbraw/zinc/92/42/52/446924252.db2.gz GYKHNLPIAQMIPS-GOEBONIOSA-N 2 1 332.448 1.188 20 0 EDADMP C[N@@H+]1CC[C@@H]2OCCN(Cc3ccc(C[NH+]4CCOCC4)cc3)[C@@H]2C1 ZINC000420962784 446932297 /nfs/dbraw/zinc/93/22/97/446932297.db2.gz LAVVGDWCSBPGRF-UXHICEINSA-N 2 1 345.487 1.424 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(Cc3ccc(C[NH+]4CCOCC4)cc3)[C@@H]2C1 ZINC000420962784 446932305 /nfs/dbraw/zinc/93/23/05/446932305.db2.gz LAVVGDWCSBPGRF-UXHICEINSA-N 2 1 345.487 1.424 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000371765475 446959976 /nfs/dbraw/zinc/95/99/76/446959976.db2.gz LGGDWJKUJIBBLM-YESZJQIVSA-N 2 1 338.496 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371765475 446959981 /nfs/dbraw/zinc/95/99/81/446959981.db2.gz LGGDWJKUJIBBLM-YESZJQIVSA-N 2 1 338.496 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371765475 446959985 /nfs/dbraw/zinc/95/99/85/446959985.db2.gz LGGDWJKUJIBBLM-YESZJQIVSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@]1(O)CCC[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000375679062 446969818 /nfs/dbraw/zinc/96/98/18/446969818.db2.gz NNYIIQNFPOMXTN-SFHVURJKSA-N 2 1 335.448 1.161 20 0 EDADMP CN(C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CCN2CCO[C@H]1C2 ZINC000454868050 446990674 /nfs/dbraw/zinc/99/06/74/446990674.db2.gz DOIGGVQAJOJMPU-JYJNAYRXSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000413174531 447049347 /nfs/dbraw/zinc/04/93/47/447049347.db2.gz QFSDUKRSQSLJPU-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000413174531 447049350 /nfs/dbraw/zinc/04/93/50/447049350.db2.gz QFSDUKRSQSLJPU-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000413174531 447049356 /nfs/dbraw/zinc/04/93/56/447049356.db2.gz QFSDUKRSQSLJPU-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000413174531 447049361 /nfs/dbraw/zinc/04/93/61/447049361.db2.gz QFSDUKRSQSLJPU-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCC[NH2+]CC1 ZINC000368723629 447069202 /nfs/dbraw/zinc/06/92/02/447069202.db2.gz XATQWVFKAQQDPQ-SFHVURJKSA-N 2 1 330.476 1.063 20 0 EDADMP C[NH+](C)CC1(CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC000368755242 447087249 /nfs/dbraw/zinc/08/72/49/447087249.db2.gz ZPJXNORHBNQPHN-HNNXBMFYSA-N 2 1 333.480 1.867 20 0 EDADMP CCn1ccnc1[C@H](C)NC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000455459717 447135750 /nfs/dbraw/zinc/13/57/50/447135750.db2.gz UFOHYCMSCOKERG-GJZGRUSLSA-N 2 1 337.468 1.620 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000419478378 447210902 /nfs/dbraw/zinc/21/09/02/447210902.db2.gz JJRLPJZKHCUVEY-HOTGVXAUSA-N 2 1 340.512 1.247 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000419511223 447234093 /nfs/dbraw/zinc/23/40/93/447234093.db2.gz HWBVUKDLGVVKFG-BZUAXINKSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419511223 447234099 /nfs/dbraw/zinc/23/40/99/447234099.db2.gz HWBVUKDLGVVKFG-BZUAXINKSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419511223 447234103 /nfs/dbraw/zinc/23/41/03/447234103.db2.gz HWBVUKDLGVVKFG-BZUAXINKSA-N 2 1 328.501 1.203 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)nc2C)C[C@@H]1C ZINC000447233399 447270058 /nfs/dbraw/zinc/27/00/58/447270058.db2.gz ZJLIXEHHOZFXOU-DZGCQCFKSA-N 2 1 332.448 1.968 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)c2C1 ZINC000415471234 447463550 /nfs/dbraw/zinc/46/35/50/447463550.db2.gz ZCADRZAZLKMCLY-BBRMVZONSA-N 2 1 344.459 1.546 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)c2C1 ZINC000415471234 447463559 /nfs/dbraw/zinc/46/35/59/447463559.db2.gz ZCADRZAZLKMCLY-BBRMVZONSA-N 2 1 344.459 1.546 20 0 EDADMP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390894615 447504002 /nfs/dbraw/zinc/50/40/02/447504002.db2.gz MXAJWBVIQLVONS-OALUTQOASA-N 2 1 345.487 1.926 20 0 EDADMP COc1cc2c(cc1C[N@H+]1CC[C@@H](N3CC[NH2+]CC3)C1)O[C@@H](C)C2 ZINC000392182015 447521568 /nfs/dbraw/zinc/52/15/68/447521568.db2.gz CWXDDOVNNQZRGW-WMLDXEAASA-N 2 1 331.460 1.498 20 0 EDADMP CN1C[C@H](C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000495596913 447521920 /nfs/dbraw/zinc/52/19/20/447521920.db2.gz SOMIPKUFYUNABO-SFHVURJKSA-N 2 1 346.475 1.187 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000398104269 447557030 /nfs/dbraw/zinc/55/70/30/447557030.db2.gz AZMFDAIWHKFNCB-LPHOPBHVSA-N 2 1 345.487 1.782 20 0 EDADMP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000420037517 447559854 /nfs/dbraw/zinc/55/98/54/447559854.db2.gz JUYNAMLGSDSOCC-NVXWUHKLSA-N 2 1 341.883 1.762 20 0 EDADMP CCCN(C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CC[NH2+]C1 ZINC000416861936 447697519 /nfs/dbraw/zinc/69/75/19/447697519.db2.gz FKXSORUALBPSJI-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416916656 447709166 /nfs/dbraw/zinc/70/91/66/447709166.db2.gz HYALSAKDYNLPIV-ZNMIVQPWSA-N 2 1 326.485 1.268 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416916656 447709172 /nfs/dbraw/zinc/70/91/72/447709172.db2.gz HYALSAKDYNLPIV-ZNMIVQPWSA-N 2 1 326.485 1.268 20 0 EDADMP [NH3+]C1CCC(NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000416890338 447703230 /nfs/dbraw/zinc/70/32/30/447703230.db2.gz WPULAXXGNHGWGP-UHFFFAOYSA-N 2 1 346.475 1.588 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000422632322 447678994 /nfs/dbraw/zinc/67/89/94/447678994.db2.gz GQDAQFOIAOVEDL-VNHYZAJKSA-N 2 1 333.432 1.337 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000422632322 447679002 /nfs/dbraw/zinc/67/90/02/447679002.db2.gz GQDAQFOIAOVEDL-VNHYZAJKSA-N 2 1 333.432 1.337 20 0 EDADMP CC(C)C[C@H](CNC(=O)NCC1(C)CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416937792 447716072 /nfs/dbraw/zinc/71/60/72/447716072.db2.gz JQLJXZIULGJBLW-MRXNPFEDSA-N 2 1 340.512 1.422 20 0 EDADMP CC(C)C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cnn(C)c1 ZINC000459598752 447716981 /nfs/dbraw/zinc/71/69/81/447716981.db2.gz VYLQAEDWBVJBIQ-UHFFFAOYSA-N 2 1 349.523 1.867 20 0 EDADMP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cnn(C)c1 ZINC000459598752 447716990 /nfs/dbraw/zinc/71/69/90/447716990.db2.gz VYLQAEDWBVJBIQ-UHFFFAOYSA-N 2 1 349.523 1.867 20 0 EDADMP CC(C)[C@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000416943753 447719554 /nfs/dbraw/zinc/71/95/54/447719554.db2.gz TYKKRNGAVZBMOQ-CVEARBPZSA-N 2 1 326.485 1.175 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)[NH+]1CCOCC1 ZINC000416950127 447723801 /nfs/dbraw/zinc/72/38/01/447723801.db2.gz HSAJMQOIYXKOGD-UAGQMJEPSA-N 2 1 340.512 1.502 20 0 EDADMP C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422722710 447729017 /nfs/dbraw/zinc/72/90/17/447729017.db2.gz YOLBIOZSRNUROA-MISYRCLQSA-N 2 1 331.504 1.908 20 0 EDADMP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422722710 447729021 /nfs/dbraw/zinc/72/90/21/447729021.db2.gz YOLBIOZSRNUROA-MISYRCLQSA-N 2 1 331.504 1.908 20 0 EDADMP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422722710 447729023 /nfs/dbraw/zinc/72/90/23/447729023.db2.gz YOLBIOZSRNUROA-MISYRCLQSA-N 2 1 331.504 1.908 20 0 EDADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000422739446 447734407 /nfs/dbraw/zinc/73/44/07/447734407.db2.gz LHZZRYAOIDZDOA-YLJYHZDGSA-N 2 1 332.536 1.808 20 0 EDADMP CCOC(=O)N1CCC(NC(=[NH2+])NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000496186143 447737679 /nfs/dbraw/zinc/73/76/79/447737679.db2.gz MWOKVQDXWUUAHR-AWEZNQCLSA-N 2 1 339.484 1.453 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496291737 447753330 /nfs/dbraw/zinc/75/33/30/447753330.db2.gz GYMQFFBPBFREPX-ZNMIVQPWSA-N 2 1 329.485 1.677 20 0 EDADMP CN(C[C@@](C)(O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496535931 447811642 /nfs/dbraw/zinc/81/16/42/447811642.db2.gz UEODFDANHAKHJT-QZTJIDSGSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@@](C)(O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496535931 447811644 /nfs/dbraw/zinc/81/16/44/447811644.db2.gz UEODFDANHAKHJT-QZTJIDSGSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@@](C)(O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496535931 447811646 /nfs/dbraw/zinc/81/16/46/447811646.db2.gz UEODFDANHAKHJT-QZTJIDSGSA-N 2 1 341.496 1.632 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000430547686 447776100 /nfs/dbraw/zinc/77/61/00/447776100.db2.gz FWNFVCORQKMPTO-GJZGRUSLSA-N 2 1 340.489 1.918 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000430547686 447776103 /nfs/dbraw/zinc/77/61/03/447776103.db2.gz FWNFVCORQKMPTO-GJZGRUSLSA-N 2 1 340.489 1.918 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)CCCOc2ccccc2)C1 ZINC000430559176 447778217 /nfs/dbraw/zinc/77/82/17/447778217.db2.gz ZUTXEJJXKYLXGX-DLBZAZTESA-N 2 1 333.476 1.973 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)CCCOc2ccccc2)C1 ZINC000430559176 447778218 /nfs/dbraw/zinc/77/82/18/447778218.db2.gz ZUTXEJJXKYLXGX-DLBZAZTESA-N 2 1 333.476 1.973 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)n(C)n1 ZINC000423075147 447799168 /nfs/dbraw/zinc/79/91/68/447799168.db2.gz NVCZSRKFABRTCR-WNRNVDISSA-N 2 1 347.507 1.444 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@H](C)C[NH+](C)C(C)C)CC[N@H+]1C[C@H](C)O ZINC000462523326 447799310 /nfs/dbraw/zinc/79/93/10/447799310.db2.gz FKYNZEZKTFQWTJ-PMPSAXMXSA-N 2 1 328.501 1.202 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC[NH+]1C[C@H](C)O ZINC000462523326 447799313 /nfs/dbraw/zinc/79/93/13/447799313.db2.gz FKYNZEZKTFQWTJ-PMPSAXMXSA-N 2 1 328.501 1.202 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC[NH+]1C[C@H](C)O ZINC000462523326 447799315 /nfs/dbraw/zinc/79/93/15/447799315.db2.gz FKYNZEZKTFQWTJ-PMPSAXMXSA-N 2 1 328.501 1.202 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1=CC[N@@H+](C)CC1 ZINC000497108796 447861160 /nfs/dbraw/zinc/86/11/60/447861160.db2.gz QEJHTYGNSUDTGO-DZGCQCFKSA-N 2 1 327.469 1.454 20 0 EDADMP CCOc1ccc(CNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000487328618 447829376 /nfs/dbraw/zinc/82/93/76/447829376.db2.gz VYHPBSCZYXROQT-OAHLLOKOSA-N 2 1 337.439 1.901 20 0 EDADMP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000487328618 447829378 /nfs/dbraw/zinc/82/93/78/447829378.db2.gz VYHPBSCZYXROQT-OAHLLOKOSA-N 2 1 337.439 1.901 20 0 EDADMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000487328618 447829379 /nfs/dbraw/zinc/82/93/79/447829379.db2.gz VYHPBSCZYXROQT-OAHLLOKOSA-N 2 1 337.439 1.901 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](F)[C@@H](F)C3)CC2)CC1 ZINC000569707671 447873184 /nfs/dbraw/zinc/87/31/84/447873184.db2.gz IUNUHFCKDUVAHS-IYBDPMFKSA-N 2 1 329.435 1.701 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000575801816 447901190 /nfs/dbraw/zinc/90/11/90/447901190.db2.gz NCVHACPVKBICOY-OKZBNKHCSA-N 2 1 330.476 1.927 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1c[nH]cn1 ZINC000530950479 447991022 /nfs/dbraw/zinc/99/10/22/447991022.db2.gz FGVNEPXATNHSFV-UHFFFAOYSA-N 2 1 333.480 1.678 20 0 EDADMP CN(C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000531059425 448011650 /nfs/dbraw/zinc/01/16/50/448011650.db2.gz MRQSXPTVWPTKGH-MJGOQNOKSA-N 2 1 331.460 1.176 20 0 EDADMP CN(C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C)C1 ZINC000531059425 448011652 /nfs/dbraw/zinc/01/16/52/448011652.db2.gz MRQSXPTVWPTKGH-MJGOQNOKSA-N 2 1 331.460 1.176 20 0 EDADMP CN(C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C)C1 ZINC000531059425 448011654 /nfs/dbraw/zinc/01/16/54/448011654.db2.gz MRQSXPTVWPTKGH-MJGOQNOKSA-N 2 1 331.460 1.176 20 0 EDADMP C[NH+](C)CC1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000531061752 448011852 /nfs/dbraw/zinc/01/18/52/448011852.db2.gz ZKVSIQFNZBPGLF-FQEVSTJZSA-N 2 1 345.487 1.424 20 0 EDADMP CCN(CC)C(=O)OC[C@H]1CCCCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000496906581 448023461 /nfs/dbraw/zinc/02/34/61/448023461.db2.gz GHMONSIOQAMXMS-IAGOWNOFSA-N 2 1 341.496 1.774 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000531292727 448054233 /nfs/dbraw/zinc/05/42/33/448054233.db2.gz DLIBLRQDPXPCFK-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+]1CCC[C@@H](CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000531292727 448054238 /nfs/dbraw/zinc/05/42/38/448054238.db2.gz DLIBLRQDPXPCFK-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[NH+](C)C1 ZINC000503765252 448106500 /nfs/dbraw/zinc/10/65/00/448106500.db2.gz NINVCXVFRNEYGP-OKZBNKHCSA-N 2 1 337.508 1.961 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)[N@H+](C)C1 ZINC000503765252 448106505 /nfs/dbraw/zinc/10/65/05/448106505.db2.gz NINVCXVFRNEYGP-OKZBNKHCSA-N 2 1 337.508 1.961 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)[N@@H+](C)C1 ZINC000503765252 448106510 /nfs/dbraw/zinc/10/65/10/448106510.db2.gz NINVCXVFRNEYGP-OKZBNKHCSA-N 2 1 337.508 1.961 20 0 EDADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571464569 448158980 /nfs/dbraw/zinc/15/89/80/448158980.db2.gz XXOCSTYFIHCDDU-QKCSRTOESA-N 2 1 325.359 1.593 20 0 EDADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571464569 448158987 /nfs/dbraw/zinc/15/89/87/448158987.db2.gz XXOCSTYFIHCDDU-QKCSRTOESA-N 2 1 325.359 1.593 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1nn[nH]n1 ZINC000556812877 448159896 /nfs/dbraw/zinc/15/98/96/448159896.db2.gz ZKVZKLFAPYHOOO-AWEZNQCLSA-N 2 1 343.435 1.029 20 0 EDADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1nnn[n-]1 ZINC000556812877 448159902 /nfs/dbraw/zinc/15/99/02/448159902.db2.gz ZKVZKLFAPYHOOO-AWEZNQCLSA-N 2 1 343.435 1.029 20 0 EDADMP CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531660788 448124817 /nfs/dbraw/zinc/12/48/17/448124817.db2.gz RMYSBKOUOVXDHJ-JKSUJKDBSA-N 2 1 326.485 1.269 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531660788 448124820 /nfs/dbraw/zinc/12/48/20/448124820.db2.gz RMYSBKOUOVXDHJ-JKSUJKDBSA-N 2 1 326.485 1.269 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1CC[NH+](C)CC1 ZINC000526991464 448132468 /nfs/dbraw/zinc/13/24/68/448132468.db2.gz CHPHISQXOCSWMH-UHFFFAOYSA-N 2 1 330.436 1.294 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000577001628 448190043 /nfs/dbraw/zinc/19/00/43/448190043.db2.gz ZTCYOJZLCXIEGI-KRWDZBQOSA-N 2 1 334.464 1.456 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000577001628 448190046 /nfs/dbraw/zinc/19/00/46/448190046.db2.gz ZTCYOJZLCXIEGI-KRWDZBQOSA-N 2 1 334.464 1.456 20 0 EDADMP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000497089856 448190573 /nfs/dbraw/zinc/19/05/73/448190573.db2.gz OBVTWRXTRAPJAL-YOEHRIQHSA-N 2 1 329.485 1.726 20 0 EDADMP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000497089856 448190574 /nfs/dbraw/zinc/19/05/74/448190574.db2.gz OBVTWRXTRAPJAL-YOEHRIQHSA-N 2 1 329.485 1.726 20 0 EDADMP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@@]3(CCCOC3)C1)C[NH+]1CCC2CC1 ZINC000497097191 448196580 /nfs/dbraw/zinc/19/65/80/448196580.db2.gz HWWUVYIZNGULKC-MOPGFXCFSA-N 2 1 349.475 1.753 20 0 EDADMP O=C1O[C@]2(CN1C[N@H+]1CCC[C@@]3(CCCOC3)C1)C[NH+]1CCC2CC1 ZINC000497097191 448196583 /nfs/dbraw/zinc/19/65/83/448196583.db2.gz HWWUVYIZNGULKC-MOPGFXCFSA-N 2 1 349.475 1.753 20 0 EDADMP C[NH+](C)CCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CC1 ZINC000571831459 448213012 /nfs/dbraw/zinc/21/30/12/448213012.db2.gz OSEPPLQMCJKXQN-KRWDZBQOSA-N 2 1 330.476 1.846 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000492721138 448267127 /nfs/dbraw/zinc/26/71/27/448267127.db2.gz CAXDOFOLNMSGLV-MPGHIAIKSA-N 2 1 341.496 1.869 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000492721138 448267132 /nfs/dbraw/zinc/26/71/32/448267132.db2.gz CAXDOFOLNMSGLV-MPGHIAIKSA-N 2 1 341.496 1.869 20 0 EDADMP COc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)c(SC)cc1OC ZINC000577513327 448318865 /nfs/dbraw/zinc/31/88/65/448318865.db2.gz ZDTVDOYUCOYSQC-UHFFFAOYSA-N 2 1 339.505 1.763 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[N@H+]1C1CC1 ZINC000515504725 448324006 /nfs/dbraw/zinc/32/40/06/448324006.db2.gz DELDBAUTSSNORH-FRFSOERESA-N 2 1 337.533 1.945 20 0 EDADMP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000572138905 448301098 /nfs/dbraw/zinc/30/10/98/448301098.db2.gz ZFMBJCKQCDZNGK-RHSMWYFYSA-N 2 1 342.447 1.251 20 0 EDADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000572138905 448301106 /nfs/dbraw/zinc/30/11/06/448301106.db2.gz ZFMBJCKQCDZNGK-RHSMWYFYSA-N 2 1 342.447 1.251 20 0 EDADMP CC[C@H](NC(=O)C1(C)C[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000577615430 448342645 /nfs/dbraw/zinc/34/26/45/448342645.db2.gz MXPCLYOZUPMDFG-DLBZAZTESA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@H](NC(=O)C1(C)C[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000577615430 448342650 /nfs/dbraw/zinc/34/26/50/448342650.db2.gz MXPCLYOZUPMDFG-DLBZAZTESA-N 2 1 331.460 1.392 20 0 EDADMP COc1cccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[NH+]2CCCC2)c1 ZINC000591418231 448357144 /nfs/dbraw/zinc/35/71/44/448357144.db2.gz UNESNPVCMWVXGT-SJLPKXTDSA-N 2 1 331.460 1.900 20 0 EDADMP CC[NH+]1CCN(c2ccccc2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC000527783201 448360215 /nfs/dbraw/zinc/36/02/15/448360215.db2.gz IGZFEDCZONKBII-UHFFFAOYSA-N 2 1 327.432 1.972 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000572388591 448366142 /nfs/dbraw/zinc/36/61/42/448366142.db2.gz KISSGZKACLFRCQ-MRXNPFEDSA-N 2 1 340.512 1.167 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccccc1 ZINC000577759275 448382196 /nfs/dbraw/zinc/38/21/96/448382196.db2.gz YSMPMGCZBFFPJS-IEBWSBKVSA-N 2 1 331.460 1.252 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000591571626 448393963 /nfs/dbraw/zinc/39/39/63/448393963.db2.gz SBBCCYRESWKFDD-VQHPVUNQSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000591571626 448393966 /nfs/dbraw/zinc/39/39/66/448393966.db2.gz SBBCCYRESWKFDD-VQHPVUNQSA-N 2 1 338.496 1.364 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566185701 448408743 /nfs/dbraw/zinc/40/87/43/448408743.db2.gz OFOMXDTUMVCEGZ-NUJGCVRESA-N 2 1 333.476 1.780 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566185701 448408748 /nfs/dbraw/zinc/40/87/48/448408748.db2.gz OFOMXDTUMVCEGZ-NUJGCVRESA-N 2 1 333.476 1.780 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCCCC[C@H]1C(=O)OC ZINC000516488510 448428268 /nfs/dbraw/zinc/42/82/68/448428268.db2.gz TUQCEWGHFFPAMB-OAGGEKHMSA-N 2 1 330.469 1.027 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCCCC[C@H]1C(=O)OC ZINC000516488510 448428275 /nfs/dbraw/zinc/42/82/75/448428275.db2.gz TUQCEWGHFFPAMB-OAGGEKHMSA-N 2 1 330.469 1.027 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@H](O)CSC)CC1 ZINC000572631473 448428360 /nfs/dbraw/zinc/42/83/60/448428360.db2.gz UCUVDZYJLKPMTI-SFHVURJKSA-N 2 1 337.533 1.638 20 0 EDADMP [NH3+]CCCCC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000516649101 448457215 /nfs/dbraw/zinc/45/72/15/448457215.db2.gz ITKDDBVDTICDBO-UHFFFAOYSA-N 2 1 338.883 1.707 20 0 EDADMP Cn1nc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000591709259 448464042 /nfs/dbraw/zinc/46/40/42/448464042.db2.gz LWHQKWFLTRHJDG-UHFFFAOYSA-N 2 1 329.492 1.937 20 0 EDADMP CC(C)([NH3+])c1nocc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566473546 448486702 /nfs/dbraw/zinc/48/67/02/448486702.db2.gz INJSXWSWUWWDAY-CQSZACIVSA-N 2 1 328.416 1.873 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000566444447 448472989 /nfs/dbraw/zinc/47/29/89/448472989.db2.gz NLQINTOZZPARFX-GOSISDBHSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000572956889 448505482 /nfs/dbraw/zinc/50/54/82/448505482.db2.gz QDRBGXXUJDEZBD-ADHGMGHFSA-N 2 1 337.508 1.994 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@]3(C)CCOC3)CC2)CC1 ZINC000578337010 448522362 /nfs/dbraw/zinc/52/23/62/448522362.db2.gz WPAAQHVMFYSHTK-LJQANCHMSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000517225556 448556752 /nfs/dbraw/zinc/55/67/52/448556752.db2.gz NTDUHIUQADEAMV-MXSMSXNCSA-N 2 1 330.476 1.804 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CSC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000584528954 448559275 /nfs/dbraw/zinc/55/92/75/448559275.db2.gz HFPLTVFQTZMXHX-HNNXBMFYSA-N 2 1 329.510 1.039 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CSC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000584528954 448559282 /nfs/dbraw/zinc/55/92/82/448559282.db2.gz HFPLTVFQTZMXHX-HNNXBMFYSA-N 2 1 329.510 1.039 20 0 EDADMP C[C@@H](c1cccc(NC[C@@H](O)C[N@H+](C)C2CC2)c1)[NH+]1CCOCC1 ZINC000566851482 448571085 /nfs/dbraw/zinc/57/10/85/448571085.db2.gz YIMFHWOJIBSRAU-HNAYVOBHSA-N 2 1 333.476 1.947 20 0 EDADMP C[C@@H](c1cccc(NC[C@@H](O)C[N@@H+](C)C2CC2)c1)[NH+]1CCOCC1 ZINC000566851482 448571092 /nfs/dbraw/zinc/57/10/92/448571092.db2.gz YIMFHWOJIBSRAU-HNAYVOBHSA-N 2 1 333.476 1.947 20 0 EDADMP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000567111003 448615877 /nfs/dbraw/zinc/61/58/77/448615877.db2.gz DMFLOQIXDMHUIU-ZWKOTPCHSA-N 2 1 336.476 1.417 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)C[C@@H]1C ZINC000517414799 448581367 /nfs/dbraw/zinc/58/13/67/448581367.db2.gz BPKARGDPOGRAAD-GVDBMIGSSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000517414799 448581370 /nfs/dbraw/zinc/58/13/70/448581370.db2.gz BPKARGDPOGRAAD-GVDBMIGSSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000517414799 448581375 /nfs/dbraw/zinc/58/13/75/448581375.db2.gz BPKARGDPOGRAAD-GVDBMIGSSA-N 2 1 340.512 1.203 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000566981178 448596171 /nfs/dbraw/zinc/59/61/71/448596171.db2.gz ZYWNRHHXUSVSAG-HUUCEWRRSA-N 2 1 326.485 1.175 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000573564928 448659872 /nfs/dbraw/zinc/65/98/72/448659872.db2.gz MNUXKRMVAQRAKN-YQQAZPJKSA-N 2 1 346.475 1.009 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000578882907 448662529 /nfs/dbraw/zinc/66/25/29/448662529.db2.gz PKCQFHNCXYBYTF-YTQUADARSA-N 2 1 327.472 1.919 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000578882907 448662533 /nfs/dbraw/zinc/66/25/33/448662533.db2.gz PKCQFHNCXYBYTF-YTQUADARSA-N 2 1 327.472 1.919 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000578882907 448662535 /nfs/dbraw/zinc/66/25/35/448662535.db2.gz PKCQFHNCXYBYTF-YTQUADARSA-N 2 1 327.472 1.919 20 0 EDADMP CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(CCOC)cc2)CC1 ZINC000567345635 448670512 /nfs/dbraw/zinc/67/05/12/448670512.db2.gz OGHCFQRYMWWDIW-SFHVURJKSA-N 2 1 336.476 1.689 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000567350390 448673435 /nfs/dbraw/zinc/67/34/35/448673435.db2.gz DWZMYFNXCZBIBF-MRXNPFEDSA-N 2 1 345.422 1.387 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000579001216 448691041 /nfs/dbraw/zinc/69/10/41/448691041.db2.gz IYUUPOLNNUSGDM-ZDUSSCGKSA-N 2 1 346.431 1.436 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000573699374 448694096 /nfs/dbraw/zinc/69/40/96/448694096.db2.gz KEOMVSKRCWCOJI-AEFFLSMTSA-N 2 1 343.475 1.754 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000573699374 448694099 /nfs/dbraw/zinc/69/40/99/448694099.db2.gz KEOMVSKRCWCOJI-AEFFLSMTSA-N 2 1 343.475 1.754 20 0 EDADMP COC[C@]1(CNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CCC[NH2+]1 ZINC000573786131 448710910 /nfs/dbraw/zinc/71/09/10/448710910.db2.gz AMRQRWLCJUVBSA-RHSMWYFYSA-N 2 1 326.485 1.175 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000567363755 448676501 /nfs/dbraw/zinc/67/65/01/448676501.db2.gz TVNVUAOKABBFLH-GOSISDBHSA-N 2 1 333.476 1.456 20 0 EDADMP CC[NH+]1CCN(c2ccc(CNC(=O)Cn3cc[nH+]c3C)cn2)CC1 ZINC000579322640 448765613 /nfs/dbraw/zinc/76/56/13/448765613.db2.gz HIXNCYOBPZOMHB-UHFFFAOYSA-N 2 1 342.447 1.045 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000592198297 448736186 /nfs/dbraw/zinc/73/61/86/448736186.db2.gz ORYDQYPJKYYCPS-DOTOQJQBSA-N 2 1 347.459 1.562 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000573917401 448746800 /nfs/dbraw/zinc/74/68/00/448746800.db2.gz TVDFWGYUFSUBHG-DAYGRLMNSA-N 2 1 345.487 1.877 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000573917401 448746805 /nfs/dbraw/zinc/74/68/05/448746805.db2.gz TVDFWGYUFSUBHG-DAYGRLMNSA-N 2 1 345.487 1.877 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)c2cccs2)CC1 ZINC000579479624 448804566 /nfs/dbraw/zinc/80/45/66/448804566.db2.gz WZGAXTZTYPDRTI-GJZGRUSLSA-N 2 1 336.505 1.295 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000545884207 448805740 /nfs/dbraw/zinc/80/57/40/448805740.db2.gz PUZMHNYRBHPGKQ-IAGOWNOFSA-N 2 1 338.496 1.125 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC[NH+]1C[C@@H](C)O ZINC000545884207 448805743 /nfs/dbraw/zinc/80/57/43/448805743.db2.gz PUZMHNYRBHPGKQ-IAGOWNOFSA-N 2 1 338.496 1.125 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[N@@H+]2CC=C(C)CC2)CC[NH+]1C[C@@H](C)O ZINC000545884207 448805750 /nfs/dbraw/zinc/80/57/50/448805750.db2.gz PUZMHNYRBHPGKQ-IAGOWNOFSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@H](CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[N@@H+](C)C1CC1 ZINC000529309863 448816973 /nfs/dbraw/zinc/81/69/73/448816973.db2.gz YQZWDGPIFDWZAD-RHSMWYFYSA-N 2 1 338.496 1.269 20 0 EDADMP CCN1CCC([NH+]2CCC(C(=O)NCC[N@@H+]3CC=CCC3)CC2)CC1 ZINC000574291280 448838797 /nfs/dbraw/zinc/83/87/97/448838797.db2.gz DBXYWSAMYQKNSI-UHFFFAOYSA-N 2 1 348.535 1.561 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000529358996 448840313 /nfs/dbraw/zinc/84/03/13/448840313.db2.gz KRGOQRXBVZZYCF-JKSUJKDBSA-N 2 1 336.480 1.167 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000568254772 448847576 /nfs/dbraw/zinc/84/75/76/448847576.db2.gz NHCGMTPLCMBLKN-HOCLYGCPSA-N 2 1 337.420 1.656 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529381834 448850381 /nfs/dbraw/zinc/85/03/81/448850381.db2.gz ROEFOTJEOBXTAO-BRWVUGGUSA-N 2 1 338.496 1.271 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](CO)C(C)C)CC2)CC1 ZINC000579728666 448867342 /nfs/dbraw/zinc/86/73/42/448867342.db2.gz BMUROQQKEABUIN-QGZVFWFLSA-N 2 1 339.524 1.563 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H]1CCC[NH2+]1 ZINC000592558639 448900766 /nfs/dbraw/zinc/90/07/66/448900766.db2.gz KWMIWUQAXHIRSM-LSDHHAIUSA-N 2 1 325.453 1.005 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000574567108 448903236 /nfs/dbraw/zinc/90/32/36/448903236.db2.gz WMRBRXGIIOZMSU-IXDOHACOSA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000574567108 448903237 /nfs/dbraw/zinc/90/32/37/448903237.db2.gz WMRBRXGIIOZMSU-IXDOHACOSA-N 2 1 340.512 1.658 20 0 EDADMP [NH3+]CCC1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000568762445 448918194 /nfs/dbraw/zinc/91/81/94/448918194.db2.gz MPVLVALYKLYMOQ-LJQANCHMSA-N 2 1 345.487 1.865 20 0 EDADMP [NH3+]CCC1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000568762445 448918197 /nfs/dbraw/zinc/91/81/97/448918197.db2.gz MPVLVALYKLYMOQ-LJQANCHMSA-N 2 1 345.487 1.865 20 0 EDADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000574528823 448896149 /nfs/dbraw/zinc/89/61/49/448896149.db2.gz OJWDQKTYVBLFET-OAGGEKHMSA-N 2 1 344.496 1.225 20 0 EDADMP COCC[N@H+](C)C[C@H](O)CN1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000574528823 448896154 /nfs/dbraw/zinc/89/61/54/448896154.db2.gz OJWDQKTYVBLFET-OAGGEKHMSA-N 2 1 344.496 1.225 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000574528823 448896160 /nfs/dbraw/zinc/89/61/60/448896160.db2.gz OJWDQKTYVBLFET-OAGGEKHMSA-N 2 1 344.496 1.225 20 0 EDADMP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000569341219 449006122 /nfs/dbraw/zinc/00/61/22/449006122.db2.gz JUYKDZCHZIZCIL-HUUCEWRRSA-N 2 1 328.460 1.886 20 0 EDADMP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000569341219 449006126 /nfs/dbraw/zinc/00/61/26/449006126.db2.gz JUYKDZCHZIZCIL-HUUCEWRRSA-N 2 1 328.460 1.886 20 0 EDADMP Cc1cc(OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c(C)c(C)[nH+]1 ZINC000582370614 449078886 /nfs/dbraw/zinc/07/88/86/449078886.db2.gz VHCVRHRAZGOUBN-KRWDZBQOSA-N 2 1 349.475 1.859 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000569578062 449047767 /nfs/dbraw/zinc/04/77/67/449047767.db2.gz GZSCRUKNFPJQOA-PVAVHDDUSA-N 2 1 332.448 1.019 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC[NH2+]C2CC2)c1 ZINC000582311664 449064163 /nfs/dbraw/zinc/06/41/63/449064163.db2.gz TXFWKPBOWJPWMN-INIZCTEOSA-N 2 1 330.432 1.217 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC[NH2+]C2CC2)c1 ZINC000582311664 449064166 /nfs/dbraw/zinc/06/41/66/449064166.db2.gz TXFWKPBOWJPWMN-INIZCTEOSA-N 2 1 330.432 1.217 20 0 EDADMP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595891519 449235847 /nfs/dbraw/zinc/23/58/47/449235847.db2.gz INTOMHQTRJKLLH-ZACQAIPSSA-N 2 1 336.476 1.951 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000604654798 449269302 /nfs/dbraw/zinc/26/93/02/449269302.db2.gz QQHWDUIHQWEUHS-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604654798 449269309 /nfs/dbraw/zinc/26/93/09/449269309.db2.gz QQHWDUIHQWEUHS-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604654798 449269314 /nfs/dbraw/zinc/26/93/14/449269314.db2.gz QQHWDUIHQWEUHS-KRWDZBQOSA-N 2 1 339.528 1.140 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000595961205 449283203 /nfs/dbraw/zinc/28/32/03/449283203.db2.gz JLLFKQHGQYFKAE-KBPBESRZSA-N 2 1 333.480 1.569 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000590965884 449362189 /nfs/dbraw/zinc/36/21/89/449362189.db2.gz FMWFDLKJAKMLKT-DFGXFYAUSA-N 2 1 339.524 1.967 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000590965884 449362191 /nfs/dbraw/zinc/36/21/91/449362191.db2.gz FMWFDLKJAKMLKT-DFGXFYAUSA-N 2 1 339.524 1.967 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3COC(C)(C)C3)CC2)CC1 ZINC000617046233 449443624 /nfs/dbraw/zinc/44/36/24/449443624.db2.gz GOAJLGOSSDVRTC-INIZCTEOSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000606632896 449493867 /nfs/dbraw/zinc/49/38/67/449493867.db2.gz XEQIUAFLTQJQGC-XHSDSOJGSA-N 2 1 340.512 1.515 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606685248 449504188 /nfs/dbraw/zinc/50/41/88/449504188.db2.gz FIQKSCMUNKEMEE-HOCLYGCPSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CC[NH+](C)CC1 ZINC000606702539 449511431 /nfs/dbraw/zinc/51/14/31/449511431.db2.gz ZVUOTNXOIUYWIG-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP CC[NH+](CC)CC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607390173 449608202 /nfs/dbraw/zinc/60/82/02/449608202.db2.gz AHEBXMRSRIOQGF-SJLPKXTDSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+](CC)CC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607390173 449608206 /nfs/dbraw/zinc/60/82/06/449608206.db2.gz AHEBXMRSRIOQGF-SJLPKXTDSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000600967532 449621326 /nfs/dbraw/zinc/62/13/26/449621326.db2.gz ONPZWILAHRSFFT-AEFFLSMTSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000600967532 449621330 /nfs/dbraw/zinc/62/13/30/449621330.db2.gz ONPZWILAHRSFFT-AEFFLSMTSA-N 2 1 330.476 1.186 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-c2ccncc2)on1 ZINC000617504856 449650720 /nfs/dbraw/zinc/65/07/20/449650720.db2.gz NAMCSCZSFOQQGN-AWEZNQCLSA-N 2 1 345.447 1.738 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-c2ccncc2)on1 ZINC000617504856 449650725 /nfs/dbraw/zinc/65/07/25/449650725.db2.gz NAMCSCZSFOQQGN-AWEZNQCLSA-N 2 1 345.447 1.738 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000614506438 449655505 /nfs/dbraw/zinc/65/55/05/449655505.db2.gz XQQSGKRPOLESDA-MOPGFXCFSA-N 2 1 342.487 1.015 20 0 EDADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614506438 449655510 /nfs/dbraw/zinc/65/55/10/449655510.db2.gz XQQSGKRPOLESDA-MOPGFXCFSA-N 2 1 342.487 1.015 20 0 EDADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000614506438 449655513 /nfs/dbraw/zinc/65/55/13/449655513.db2.gz XQQSGKRPOLESDA-MOPGFXCFSA-N 2 1 342.487 1.015 20 0 EDADMP CC[C@@H]1C[C@@H](CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000617506554 449657218 /nfs/dbraw/zinc/65/72/18/449657218.db2.gz RZHOOKCXDZOEFH-YESZJQIVSA-N 2 1 327.513 1.970 20 0 EDADMP CC[C@@H]1C[C@@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000617506554 449657223 /nfs/dbraw/zinc/65/72/23/449657223.db2.gz RZHOOKCXDZOEFH-YESZJQIVSA-N 2 1 327.513 1.970 20 0 EDADMP C[C@H](CCNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)[NH+](C)C ZINC000617756195 449818884 /nfs/dbraw/zinc/81/88/84/449818884.db2.gz BQKYTIIDADNTHV-QAPCUYQASA-N 2 1 333.476 1.641 20 0 EDADMP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602810587 449825717 /nfs/dbraw/zinc/82/57/17/449825717.db2.gz MXAPRYBGWKWODY-GPMSIDNRSA-N 2 1 334.460 1.801 20 0 EDADMP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602810587 449825721 /nfs/dbraw/zinc/82/57/21/449825721.db2.gz MXAPRYBGWKWODY-GPMSIDNRSA-N 2 1 334.460 1.801 20 0 EDADMP COC(=O)[C@@H]([N@@H+]1CCCN(c2cc[nH+]cc2)CC1)C1(OC)CCC1 ZINC000602849348 449856629 /nfs/dbraw/zinc/85/66/29/449856629.db2.gz QNIKXXRAXOJJIV-MRXNPFEDSA-N 2 1 333.432 1.704 20 0 EDADMP COC(=O)[C@@H]([N@H+]1CCCN(c2cc[nH+]cc2)CC1)C1(OC)CCC1 ZINC000602849348 449856636 /nfs/dbraw/zinc/85/66/36/449856636.db2.gz QNIKXXRAXOJJIV-MRXNPFEDSA-N 2 1 333.432 1.704 20 0 EDADMP C[C@H]1COCC[N@H+]1C1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000615090675 449950238 /nfs/dbraw/zinc/95/02/38/449950238.db2.gz UKVVUVHIKYGSIG-INIZCTEOSA-N 2 1 346.475 1.620 20 0 EDADMP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000612964250 449960235 /nfs/dbraw/zinc/96/02/35/449960235.db2.gz OWUROKVPZAADSY-SJORKVTESA-N 2 1 328.460 1.702 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)[N@H+]1CCc2ccccc2C1 ZINC000612967322 449962806 /nfs/dbraw/zinc/96/28/06/449962806.db2.gz ZVRUPVUHFCWBBH-QAPCUYQASA-N 2 1 342.487 1.875 20 0 EDADMP C[NH+](C)CC1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000615509059 450117960 /nfs/dbraw/zinc/11/79/60/450117960.db2.gz KKYSMDIGSSYZPZ-SFHVURJKSA-N 2 1 331.460 1.298 20 0 EDADMP C[NH+](C)CC1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000615509059 450117967 /nfs/dbraw/zinc/11/79/67/450117967.db2.gz KKYSMDIGSSYZPZ-SFHVURJKSA-N 2 1 331.460 1.298 20 0 EDADMP COC(=O)CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509721 450196067 /nfs/dbraw/zinc/19/60/67/450196067.db2.gz IESFOUNOWDJCOH-UHFFFAOYSA-N 2 1 347.459 1.262 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000619897893 450364739 /nfs/dbraw/zinc/36/47/39/450364739.db2.gz FLTDOMYVXCOENK-RBUKOAKNSA-N 2 1 344.503 1.576 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000619897893 450364742 /nfs/dbraw/zinc/36/47/42/450364742.db2.gz FLTDOMYVXCOENK-RBUKOAKNSA-N 2 1 344.503 1.576 20 0 EDADMP Cc1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)ncc1Br ZINC000623409081 450517366 /nfs/dbraw/zinc/51/73/66/450517366.db2.gz PJDQFRBBDIZGBC-CYBMUJFWSA-N 2 1 341.297 1.878 20 0 EDADMP O=C(C1C[NH+](C2CCCCC2)C1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620475461 450495375 /nfs/dbraw/zinc/49/53/75/450495375.db2.gz PMRJTSVSDCJQMG-GOSISDBHSA-N 2 1 335.492 1.309 20 0 EDADMP Cc1cc(NCCNC(=O)N[C@H]2CCC[N@@H+](C)C2)nc(C(C)C)n1 ZINC000623716992 450571065 /nfs/dbraw/zinc/57/10/65/450571065.db2.gz FVQSVRXRVINYFM-AWEZNQCLSA-N 2 1 334.468 1.714 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000623573372 450545479 /nfs/dbraw/zinc/54/54/79/450545479.db2.gz GJSFTIGGDPUMPX-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP COc1cc2c(c(CNCCC[N@@H+]3CCC[C@H]3C(N)=O)c1)O[C@@H](C)C2 ZINC000623618201 450552321 /nfs/dbraw/zinc/55/23/21/450552321.db2.gz HMNGBIJCFPJLPD-GUYCJALGSA-N 2 1 347.459 1.448 20 0 EDADMP COc1cc2c(c(CNCCC[N@H+]3CCC[C@H]3C(N)=O)c1)O[C@@H](C)C2 ZINC000623618201 450552322 /nfs/dbraw/zinc/55/23/22/450552322.db2.gz HMNGBIJCFPJLPD-GUYCJALGSA-N 2 1 347.459 1.448 20 0 EDADMP COC[C@]1(C)C[NH+](CCCC[N@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626176567 450611087 /nfs/dbraw/zinc/61/10/87/450611087.db2.gz RFQYPRNELIQALU-ROUUACIJSA-N 2 1 344.496 1.241 20 0 EDADMP CCC1([NH+](C)C)CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000633094267 450679412 /nfs/dbraw/zinc/67/94/12/450679412.db2.gz XGGKBRRGUHIZJL-UHFFFAOYSA-N 2 1 336.484 1.502 20 0 EDADMP Cc1nc(-c2cccc(NC(=O)C[N@H+](C)CCOCC[NH3+])c2)cs1 ZINC000629578853 450745637 /nfs/dbraw/zinc/74/56/37/450745637.db2.gz WCVGNIJEHNZLRO-UHFFFAOYSA-N 2 1 348.472 1.964 20 0 EDADMP Cc1nc(-c2cccc(NC(=O)C[N@@H+](C)CCOCC[NH3+])c2)cs1 ZINC000629578853 450745643 /nfs/dbraw/zinc/74/56/43/450745643.db2.gz WCVGNIJEHNZLRO-UHFFFAOYSA-N 2 1 348.472 1.964 20 0 EDADMP C[N@H+](CCOCC[NH3+])[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000629581228 450747643 /nfs/dbraw/zinc/74/76/43/450747643.db2.gz SFALCNCFLWMBAI-AWEZNQCLSA-N 2 1 329.803 1.492 20 0 EDADMP C[N@@H+](CCOCC[NH3+])[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000629581228 450747646 /nfs/dbraw/zinc/74/76/46/450747646.db2.gz SFALCNCFLWMBAI-AWEZNQCLSA-N 2 1 329.803 1.492 20 0 EDADMP C[C@@H](C(=O)Nc1ccccc1Br)[N@H+](C)CCOCC[NH3+] ZINC000629580192 450747656 /nfs/dbraw/zinc/74/76/56/450747656.db2.gz ULGFXAUOCQCZJO-NSHDSACASA-N 2 1 344.253 1.683 20 0 EDADMP C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+](C)CCOCC[NH3+] ZINC000629580192 450747661 /nfs/dbraw/zinc/74/76/61/450747661.db2.gz ULGFXAUOCQCZJO-NSHDSACASA-N 2 1 344.253 1.683 20 0 EDADMP CC1CC[NH+](CCCCNS(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000631757375 450753782 /nfs/dbraw/zinc/75/37/82/450753782.db2.gz ZUCSRPYXIZNYRZ-UHFFFAOYSA-N 2 1 331.526 1.512 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000635312710 450835619 /nfs/dbraw/zinc/83/56/19/450835619.db2.gz NYVZRUPGAWWNED-IBGZPJMESA-N 2 1 344.503 1.392 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000635312710 450835623 /nfs/dbraw/zinc/83/56/23/450835623.db2.gz NYVZRUPGAWWNED-IBGZPJMESA-N 2 1 344.503 1.392 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000635312710 450835629 /nfs/dbraw/zinc/83/56/29/450835629.db2.gz NYVZRUPGAWWNED-IBGZPJMESA-N 2 1 344.503 1.392 20 0 EDADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000624339526 450800073 /nfs/dbraw/zinc/80/00/73/450800073.db2.gz PYFJFHYTSAVVFI-PXNSSMCTSA-N 2 1 331.504 1.738 20 0 EDADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000624339526 450800075 /nfs/dbraw/zinc/80/00/75/450800075.db2.gz PYFJFHYTSAVVFI-PXNSSMCTSA-N 2 1 331.504 1.738 20 0 EDADMP CCN(C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C1CC[NH+](C)CC1 ZINC000627617395 450848196 /nfs/dbraw/zinc/84/81/96/450848196.db2.gz DDBSGRKPQFVLCM-UHFFFAOYSA-N 2 1 344.463 1.591 20 0 EDADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000631911608 450870365 /nfs/dbraw/zinc/87/03/65/450870365.db2.gz LAUCBJSVQUDZCQ-UHFFFAOYSA-N 2 1 346.541 1.159 20 0 EDADMP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000630040360 450973641 /nfs/dbraw/zinc/97/36/41/450973641.db2.gz HHGGECAYCNWFQC-YJBOKZPZSA-N 2 1 335.448 1.124 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)CCOCC[NH3+])C1 ZINC000626947210 451026331 /nfs/dbraw/zinc/02/63/31/451026331.db2.gz OSXUIZFPRITYHV-DOTOQJQBSA-N 2 1 334.464 1.439 20 0 EDADMP C[NH2+]CCOCCNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000626949778 451028448 /nfs/dbraw/zinc/02/84/48/451028448.db2.gz PXHSHLJQPCWUHW-UHFFFAOYSA-N 2 1 349.410 1.355 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626986397 451052818 /nfs/dbraw/zinc/05/28/18/451052818.db2.gz STSWUSOVJYLNIT-BURFUSLBSA-N 2 1 346.475 1.326 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626986397 451052820 /nfs/dbraw/zinc/05/28/20/451052820.db2.gz STSWUSOVJYLNIT-BURFUSLBSA-N 2 1 346.475 1.326 20 0 EDADMP C[NH+](C)CCn1c2cc(C(=O)NC[C@@H]3CCC[N@H+]3C)ccc2[nH]c1=O ZINC000635559840 451057337 /nfs/dbraw/zinc/05/73/37/451057337.db2.gz WAXCFUWJRAISDV-AWEZNQCLSA-N 2 1 345.447 1.128 20 0 EDADMP C[C@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000627004278 451069767 /nfs/dbraw/zinc/06/97/67/451069767.db2.gz HYQSPMKAAQIGNL-CGTJXYLNSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635579484 451077994 /nfs/dbraw/zinc/07/79/94/451077994.db2.gz CPFRKQLSLQLUKJ-MRXNPFEDSA-N 2 1 345.491 1.050 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000627157957 451154384 /nfs/dbraw/zinc/15/43/84/451154384.db2.gz FRBNLMFVAXSTTD-FGTMMUONSA-N 2 1 346.475 1.193 20 0 EDADMP CCn1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c(C)n1 ZINC000625027666 451119879 /nfs/dbraw/zinc/11/98/79/451119879.db2.gz UEFMIFVBJYNXPB-MRXNPFEDSA-N 2 1 335.496 1.700 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1 ZINC000628125637 451149823 /nfs/dbraw/zinc/14/98/23/451149823.db2.gz IBKFPVARYMHUKE-UHFFFAOYSA-N 2 1 331.460 1.685 20 0 EDADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000635694843 451176717 /nfs/dbraw/zinc/17/67/17/451176717.db2.gz OFTLBUKXRWYKMC-QZTJIDSGSA-N 2 1 335.492 1.717 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632308539 451189448 /nfs/dbraw/zinc/18/94/48/451189448.db2.gz VMAJLLTYECQSSQ-MRXNPFEDSA-N 2 1 343.475 1.695 20 0 EDADMP Cn1cc(CC[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)nn1 ZINC000625150585 451193380 /nfs/dbraw/zinc/19/33/80/451193380.db2.gz FZJGYSVOQQJDBF-UHFFFAOYSA-N 2 1 342.491 1.107 20 0 EDADMP Cn1cc(CC[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)nn1 ZINC000625150585 451193383 /nfs/dbraw/zinc/19/33/83/451193383.db2.gz FZJGYSVOQQJDBF-UHFFFAOYSA-N 2 1 342.491 1.107 20 0 EDADMP C[N@@H+](CCc1ccccc1)CC(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000635774538 451231867 /nfs/dbraw/zinc/23/18/67/451231867.db2.gz IJHUIMUYDUCBAS-UHFFFAOYSA-N 2 1 333.476 1.124 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000634194200 451230733 /nfs/dbraw/zinc/23/07/33/451230733.db2.gz GTXJCZSOORLZRB-MRXNPFEDSA-N 2 1 331.464 1.646 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000635743490 451212691 /nfs/dbraw/zinc/21/26/91/451212691.db2.gz OWOCHVSQOZBGHK-QRVBRYPASA-N 2 1 345.487 1.327 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000635743490 451212697 /nfs/dbraw/zinc/21/26/97/451212697.db2.gz OWOCHVSQOZBGHK-QRVBRYPASA-N 2 1 345.487 1.327 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000635743490 451212703 /nfs/dbraw/zinc/21/27/03/451212703.db2.gz OWOCHVSQOZBGHK-QRVBRYPASA-N 2 1 345.487 1.327 20 0 EDADMP CCC[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CCOC ZINC000635753931 451221646 /nfs/dbraw/zinc/22/16/46/451221646.db2.gz SUQRDGXOQGFIDV-KRWDZBQOSA-N 2 1 337.508 1.822 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)C1 ZINC000635784114 451238254 /nfs/dbraw/zinc/23/82/54/451238254.db2.gz AQPLCACTSKDBLG-VQIMIIECSA-N 2 1 345.487 1.601 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000635784114 451238257 /nfs/dbraw/zinc/23/82/57/451238257.db2.gz AQPLCACTSKDBLG-VQIMIIECSA-N 2 1 345.487 1.601 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000635784114 451238260 /nfs/dbraw/zinc/23/82/60/451238260.db2.gz AQPLCACTSKDBLG-VQIMIIECSA-N 2 1 345.487 1.601 20 0 EDADMP C[C@@H](C[N@@H+](C)CC(=O)NCC(C)(C)N1CCOCC1)C(C)(C)C ZINC000640349294 451277177 /nfs/dbraw/zinc/27/71/77/451277177.db2.gz APLCBWXPEHCOSJ-HNNXBMFYSA-N 2 1 327.513 1.827 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@]3(C)C[NH2+]CCO3)c2)C[C@@H](C)O1 ZINC000638119933 451287835 /nfs/dbraw/zinc/28/78/35/451287835.db2.gz CPTNHWLZJJWASA-CLCXKQKWSA-N 2 1 347.459 1.613 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000638120741 451290523 /nfs/dbraw/zinc/29/05/23/451290523.db2.gz CCQRQUXESXHWAN-OALUTQOASA-N 2 1 344.503 1.390 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000638120741 451290525 /nfs/dbraw/zinc/29/05/25/451290525.db2.gz CCQRQUXESXHWAN-OALUTQOASA-N 2 1 344.503 1.390 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638131533 451303204 /nfs/dbraw/zinc/30/32/04/451303204.db2.gz RHRQRWQKHPOONT-VQIMIIECSA-N 2 1 331.460 1.488 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638135763 451308331 /nfs/dbraw/zinc/30/83/31/451308331.db2.gz VEGKQBXGBVWHDV-UYAOXDASSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638287753 451405185 /nfs/dbraw/zinc/40/51/85/451405185.db2.gz XENWNJVWEJHSMC-CZUORRHYSA-N 2 1 325.416 1.186 20 0 EDADMP Cc1nc2n(n1)C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000634645061 451439646 /nfs/dbraw/zinc/43/96/46/451439646.db2.gz GKEUSLJYRVBOTG-MJGOQNOKSA-N 2 1 341.459 1.128 20 0 EDADMP Cc1nc2n(n1)C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000634645061 451439650 /nfs/dbraw/zinc/43/96/50/451439650.db2.gz GKEUSLJYRVBOTG-MJGOQNOKSA-N 2 1 341.459 1.128 20 0 EDADMP O=C(Cc1cccc2c1CC[NH2+]C2)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000638329441 451437286 /nfs/dbraw/zinc/43/72/86/451437286.db2.gz QQBLZHVNFXIETJ-LJQANCHMSA-N 2 1 336.439 1.443 20 0 EDADMP [NH3+]C[C@@]1(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCCOC1 ZINC000638367459 451464754 /nfs/dbraw/zinc/46/47/54/451464754.db2.gz OSHIZHWFOVRCEV-NSHGMRRFSA-N 2 1 343.471 1.475 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000638367796 451466653 /nfs/dbraw/zinc/46/66/53/451466653.db2.gz HLTFAFNTDLQNKK-SJORKVTESA-N 2 1 330.476 1.237 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000638367796 451466656 /nfs/dbraw/zinc/46/66/56/451466656.db2.gz HLTFAFNTDLQNKK-SJORKVTESA-N 2 1 330.476 1.237 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634698892 451470949 /nfs/dbraw/zinc/47/09/49/451470949.db2.gz ANHNIUDMHJHQRC-IAGOWNOFSA-N 2 1 328.497 1.523 20 0 EDADMP CC(C)(C)NS(=O)(=O)C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000638376852 451472337 /nfs/dbraw/zinc/47/23/37/451472337.db2.gz MDJVCPIESNAXQH-UONOGXRCSA-N 2 1 329.510 1.453 20 0 EDADMP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000638376852 451472341 /nfs/dbraw/zinc/47/23/41/451472341.db2.gz MDJVCPIESNAXQH-UONOGXRCSA-N 2 1 329.510 1.453 20 0 EDADMP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000638376852 451472345 /nfs/dbraw/zinc/47/23/45/451472345.db2.gz MDJVCPIESNAXQH-UONOGXRCSA-N 2 1 329.510 1.453 20 0 EDADMP CCC(=O)N1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634707332 451485732 /nfs/dbraw/zinc/48/57/32/451485732.db2.gz DIINVZUQNUBXJQ-PKOBYXMFSA-N 2 1 331.460 1.224 20 0 EDADMP CCC(=O)N1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634707332 451485737 /nfs/dbraw/zinc/48/57/37/451485737.db2.gz DIINVZUQNUBXJQ-PKOBYXMFSA-N 2 1 331.460 1.224 20 0 EDADMP O[C@]1(C[NH2+][C@H]2CCc3c[nH]nc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634707491 451485853 /nfs/dbraw/zinc/48/58/53/451485853.db2.gz GXVWANXKOAVBAZ-HKUYNNGSSA-N 2 1 326.444 1.494 20 0 EDADMP O[C@]1(C[NH2+][C@H]2CCc3c[nH]nc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634707491 451485857 /nfs/dbraw/zinc/48/58/57/451485857.db2.gz GXVWANXKOAVBAZ-HKUYNNGSSA-N 2 1 326.444 1.494 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000638400728 451490012 /nfs/dbraw/zinc/49/00/12/451490012.db2.gz SHSAQGUBQCENFI-OTWHNJEPSA-N 2 1 344.503 1.579 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000638400728 451490017 /nfs/dbraw/zinc/49/00/17/451490017.db2.gz SHSAQGUBQCENFI-OTWHNJEPSA-N 2 1 344.503 1.579 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000638400728 451490021 /nfs/dbraw/zinc/49/00/21/451490021.db2.gz SHSAQGUBQCENFI-OTWHNJEPSA-N 2 1 344.503 1.579 20 0 EDADMP CC(=O)N1CCC[C@@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634713293 451492485 /nfs/dbraw/zinc/49/24/85/451492485.db2.gz TZMZTUPGBJXUHV-PMACEKPBSA-N 2 1 345.487 1.472 20 0 EDADMP CC(=O)N1CCC[C@@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634713293 451492489 /nfs/dbraw/zinc/49/24/89/451492489.db2.gz TZMZTUPGBJXUHV-PMACEKPBSA-N 2 1 345.487 1.472 20 0 EDADMP OCCC[N@H+]1CCC[C@@H]1CNC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634721246 451501001 /nfs/dbraw/zinc/50/10/01/451501001.db2.gz VRRKVPONFGJLKR-UXHICEINSA-N 2 1 347.503 1.060 20 0 EDADMP OCCC[NH+]1CCC[C@@H]1CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721246 451501006 /nfs/dbraw/zinc/50/10/06/451501006.db2.gz VRRKVPONFGJLKR-UXHICEINSA-N 2 1 347.503 1.060 20 0 EDADMP OCCC[NH+]1CCC[C@@H]1CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721246 451501011 /nfs/dbraw/zinc/50/10/11/451501011.db2.gz VRRKVPONFGJLKR-UXHICEINSA-N 2 1 347.503 1.060 20 0 EDADMP OCc1cccc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000634722341 451503408 /nfs/dbraw/zinc/50/34/08/451503408.db2.gz NPQMUGJEGKOXFV-IBGZPJMESA-N 2 1 327.428 1.301 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000636089938 451508386 /nfs/dbraw/zinc/50/83/86/451508386.db2.gz CHEIJBUEAIUQDW-UONOGXRCSA-N 2 1 344.463 1.681 20 0 EDADMP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000638505840 451550369 /nfs/dbraw/zinc/55/03/69/451550369.db2.gz OTQGSCBQQPWMHR-SJORKVTESA-N 2 1 328.460 1.694 20 0 EDADMP C[N@H+]1CCC[C@@H](CNCc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631069818 451566647 /nfs/dbraw/zinc/56/66/47/451566647.db2.gz XQQLBRQGLLLTEE-LBPRGKRZSA-N 2 1 331.869 1.419 20 0 EDADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631069818 451566652 /nfs/dbraw/zinc/56/66/52/451566652.db2.gz XQQLBRQGLLLTEE-LBPRGKRZSA-N 2 1 331.869 1.419 20 0 EDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631069818 451566664 /nfs/dbraw/zinc/56/66/64/451566664.db2.gz XQQLBRQGLLLTEE-LBPRGKRZSA-N 2 1 331.869 1.419 20 0 EDADMP COc1cc(C[C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)ccn1 ZINC000638564620 451578924 /nfs/dbraw/zinc/57/89/24/451578924.db2.gz LGJBUXRGUMRMDE-MRXNPFEDSA-N 2 1 334.508 1.884 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)cn2)CC1 ZINC000631255454 451665163 /nfs/dbraw/zinc/66/51/63/451665163.db2.gz QHUUNRLBJWJWCG-ROUUACIJSA-N 2 1 345.491 1.666 20 0 EDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000634997844 451642300 /nfs/dbraw/zinc/64/23/00/451642300.db2.gz URJNEINCXKXNJP-HZPDHXFCSA-N 3 1 334.512 1.230 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638673998 451644720 /nfs/dbraw/zinc/64/47/20/451644720.db2.gz CHNSGCIBUYKUMC-UHFFFAOYSA-N 2 1 328.463 1.470 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000636337915 451685993 /nfs/dbraw/zinc/68/59/93/451685993.db2.gz MYMQHUUBVRWUJE-KURKYZTESA-N 2 1 337.508 1.532 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638792721 451693451 /nfs/dbraw/zinc/69/34/51/451693451.db2.gz PEFRQLHDPQTCKD-MRXNPFEDSA-N 2 1 334.464 1.624 20 0 EDADMP [NH3+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000638818936 451700310 /nfs/dbraw/zinc/70/03/10/451700310.db2.gz GCBUKRMDHNRWLJ-ROUUACIJSA-N 2 1 331.460 1.617 20 0 EDADMP [NH3+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000638818936 451700313 /nfs/dbraw/zinc/70/03/13/451700313.db2.gz GCBUKRMDHNRWLJ-ROUUACIJSA-N 2 1 331.460 1.617 20 0 EDADMP CC(C)C[C@H](Nc1[nH+]cnc2[nH]ccc21)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000631344912 451703553 /nfs/dbraw/zinc/70/35/53/451703553.db2.gz FEWUXWRBRQHAAG-ZFWWWQNUSA-N 2 1 344.463 1.947 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638969084 451743063 /nfs/dbraw/zinc/74/30/63/451743063.db2.gz PCMLNDDWAIWAMQ-QEOTZNIISA-N 2 1 325.497 1.754 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638969084 451743064 /nfs/dbraw/zinc/74/30/64/451743064.db2.gz PCMLNDDWAIWAMQ-QEOTZNIISA-N 2 1 325.497 1.754 20 0 EDADMP C[NH+](C)[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccccc1 ZINC000638986682 451747172 /nfs/dbraw/zinc/74/71/72/451747172.db2.gz XQQMGIPEWREHOI-GOSISDBHSA-N 2 1 339.443 1.733 20 0 EDADMP C[C@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)[C@@H]1CCC[NH2+]C1 ZINC000638987686 451747739 /nfs/dbraw/zinc/74/77/39/451747739.db2.gz WIYKVOUZDPZRDC-HUUCEWRRSA-N 2 1 331.464 1.456 20 0 EDADMP CC[C@@]1(O)CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000637265472 451774248 /nfs/dbraw/zinc/77/42/48/451774248.db2.gz QOOGRNVFGXOSMT-DOTOQJQBSA-N 2 1 328.501 1.205 20 0 EDADMP CC[C@@]1(O)CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000637265472 451774251 /nfs/dbraw/zinc/77/42/51/451774251.db2.gz QOOGRNVFGXOSMT-DOTOQJQBSA-N 2 1 328.501 1.205 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)Cn1cc(C[C@@H]([NH3+])Cc2ccccc2)nn1 ZINC000641221924 451787859 /nfs/dbraw/zinc/78/78/59/451787859.db2.gz MBKRKPBNUPBHMJ-WMZOPIPTSA-N 2 1 331.464 1.092 20 0 EDADMP CC[N@H+](C)C[C@@H](O)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000641224434 451789447 /nfs/dbraw/zinc/78/94/47/451789447.db2.gz ZOXXBIDVRCCLMP-AEFFLSMTSA-N 2 1 329.448 1.368 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000641224434 451789449 /nfs/dbraw/zinc/78/94/49/451789449.db2.gz ZOXXBIDVRCCLMP-AEFFLSMTSA-N 2 1 329.448 1.368 20 0 EDADMP CCCN(C(=O)C(=O)Nc1c(C)cc(C)nc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000646763505 451823546 /nfs/dbraw/zinc/82/35/46/451823546.db2.gz BAGPNPKYLILPJL-OAHLLOKOSA-N 2 1 332.448 1.888 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H](n2cccn2)C(F)(F)F)CC1 ZINC000639345272 451838292 /nfs/dbraw/zinc/83/82/92/451838292.db2.gz GBWBRXWLHWNHQM-ZDUSSCGKSA-N 2 1 334.386 1.811 20 0 EDADMP CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000641326852 451849621 /nfs/dbraw/zinc/84/96/21/451849621.db2.gz HPNODNRZSOKYOQ-INIZCTEOSA-N 2 1 349.500 1.532 20 0 EDADMP CN([C@H]1CCN(C2CC2)C1)S(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000641326852 451849624 /nfs/dbraw/zinc/84/96/24/451849624.db2.gz HPNODNRZSOKYOQ-INIZCTEOSA-N 2 1 349.500 1.532 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000644556808 451858174 /nfs/dbraw/zinc/85/81/74/451858174.db2.gz FPZUZBPTVWNIJC-SFHVURJKSA-N 2 1 333.476 1.122 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000644617963 451898166 /nfs/dbraw/zinc/89/81/66/451898166.db2.gz QHORCVIAXRLMBH-SJLPKXTDSA-N 2 1 331.460 1.080 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000644617963 451898171 /nfs/dbraw/zinc/89/81/71/451898171.db2.gz QHORCVIAXRLMBH-SJLPKXTDSA-N 2 1 331.460 1.080 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000637558255 451943500 /nfs/dbraw/zinc/94/35/00/451943500.db2.gz YLCBQJMJWACXSA-YESZJQIVSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)C(=O)NCC[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000639555994 451943599 /nfs/dbraw/zinc/94/35/99/451943599.db2.gz YMKADGVSVIHUMT-IBGZPJMESA-N 2 1 333.476 1.327 20 0 EDADMP CC(C)C(=O)NCC[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000639555994 451943605 /nfs/dbraw/zinc/94/36/05/451943605.db2.gz YMKADGVSVIHUMT-IBGZPJMESA-N 2 1 333.476 1.327 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@]1(N)CC[N@@H+](C)C1)c1cccc(OC)c1 ZINC000649282870 451955752 /nfs/dbraw/zinc/95/57/52/451955752.db2.gz PFWZWTLCFDHRGL-MJGOQNOKSA-N 2 1 348.491 1.227 20 0 EDADMP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@]2(N)CC[N@@H+](C)C2)CC1 ZINC000649288406 451962208 /nfs/dbraw/zinc/96/22/08/451962208.db2.gz OGJFNRKTFICJRF-FQEVSTJZSA-N 2 1 344.503 1.568 20 0 EDADMP CC(C)[C@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000639612975 451973988 /nfs/dbraw/zinc/97/39/88/451973988.db2.gz OBLDPZNYUMTWGS-WOJBJXKFSA-N 2 1 331.504 1.895 20 0 EDADMP CC(C)[C@H]1CN(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000639612975 451973996 /nfs/dbraw/zinc/97/39/96/451973996.db2.gz OBLDPZNYUMTWGS-WOJBJXKFSA-N 2 1 331.504 1.895 20 0 EDADMP CC(C)[C@H]1CN(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000639612975 451974005 /nfs/dbraw/zinc/97/40/05/451974005.db2.gz OBLDPZNYUMTWGS-WOJBJXKFSA-N 2 1 331.504 1.895 20 0 EDADMP COCCC1(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000649306849 451982997 /nfs/dbraw/zinc/98/29/97/451982997.db2.gz TVUCZLRZHGBDNT-CVEARBPZSA-N 2 1 325.497 1.629 20 0 EDADMP COC[C@]1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCC[NH2+]1 ZINC000649310534 451987501 /nfs/dbraw/zinc/98/75/01/451987501.db2.gz QVUBRIIDEPVHMV-QUCCMNQESA-N 2 1 345.487 1.436 20 0 EDADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@]3(N)CC[N@@H+](C)C3)c2)CC1 ZINC000649310812 451988063 /nfs/dbraw/zinc/98/80/63/451988063.db2.gz DNAMVSMIHNAKCU-FQEVSTJZSA-N 2 1 344.503 1.568 20 0 EDADMP C[N@@H+]1CCN(C(=O)c2cn(CCCC[NH3+])nn2)c2ccccc2C1 ZINC000649322462 452002300 /nfs/dbraw/zinc/00/23/00/452002300.db2.gz WCRQKABQZNIISR-UHFFFAOYSA-N 2 1 328.420 1.109 20 0 EDADMP C[N@H+]1CCN(C(=O)c2cn(CCCC[NH3+])nn2)c2ccccc2C1 ZINC000649322462 452002304 /nfs/dbraw/zinc/00/23/04/452002304.db2.gz WCRQKABQZNIISR-UHFFFAOYSA-N 2 1 328.420 1.109 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2(N)CC[N@@H+](C)C2)CC1 ZINC000649323653 452003319 /nfs/dbraw/zinc/00/33/19/452003319.db2.gz MFOHWDXONRZZAJ-HNAYVOBHSA-N 2 1 330.476 1.361 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2([NH3+])CCN(C)C2)CC1 ZINC000649323653 452003323 /nfs/dbraw/zinc/00/33/23/452003323.db2.gz MFOHWDXONRZZAJ-HNAYVOBHSA-N 2 1 330.476 1.361 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1)[NH+]1CCOCC1 ZINC000647011408 452004213 /nfs/dbraw/zinc/00/42/13/452004213.db2.gz DODFBZGRLRDETL-ZACQAIPSSA-N 2 1 325.497 1.709 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649331602 452012708 /nfs/dbraw/zinc/01/27/08/452012708.db2.gz FLIWOHVUYGRULW-ZBFHGGJFSA-N 2 1 337.414 1.964 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649331602 452012713 /nfs/dbraw/zinc/01/27/13/452012713.db2.gz FLIWOHVUYGRULW-ZBFHGGJFSA-N 2 1 337.414 1.964 20 0 EDADMP C[C@H](NC(=O)C1([NH3+])CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649340183 452021553 /nfs/dbraw/zinc/02/15/53/452021553.db2.gz HOGQVNARNQKPDC-RDJZCZTQSA-N 2 1 331.460 1.664 20 0 EDADMP C[C@H](NC(=O)C1([NH3+])CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649340183 452021556 /nfs/dbraw/zinc/02/15/56/452021556.db2.gz HOGQVNARNQKPDC-RDJZCZTQSA-N 2 1 331.460 1.664 20 0 EDADMP CC(C)CCOCCNC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682648 452021639 /nfs/dbraw/zinc/02/16/39/452021639.db2.gz HGKKNDOQKTVSHZ-UHFFFAOYSA-N 2 1 348.491 1.773 20 0 EDADMP CC(C)CCOCCNC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682648 452021643 /nfs/dbraw/zinc/02/16/43/452021643.db2.gz HGKKNDOQKTVSHZ-UHFFFAOYSA-N 2 1 348.491 1.773 20 0 EDADMP C[C@@H](NC(=O)C1([NH3+])CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649340184 452021736 /nfs/dbraw/zinc/02/17/36/452021736.db2.gz HOGQVNARNQKPDC-WBVHZDCISA-N 2 1 331.460 1.664 20 0 EDADMP C[C@@H](NC(=O)C1([NH3+])CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649340184 452021739 /nfs/dbraw/zinc/02/17/39/452021739.db2.gz HOGQVNARNQKPDC-WBVHZDCISA-N 2 1 331.460 1.664 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3[NH2+]CCc4ccccc43)CC2)C1 ZINC000649352706 452037949 /nfs/dbraw/zinc/03/79/49/452037949.db2.gz GJCKUDKGPVEVBX-HKUYNNGSSA-N 2 1 342.487 1.112 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCC(C)([NH3+])CC3)cc2)CC1 ZINC000649357807 452040497 /nfs/dbraw/zinc/04/04/97/452040497.db2.gz MFHFJCCMRNTJQS-UHFFFAOYSA-N 2 1 330.476 1.387 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N[C@H](CC[NH3+])C(F)F)CC2)[nH+]c1 ZINC000647071326 452042544 /nfs/dbraw/zinc/04/25/44/452042544.db2.gz FLKWNVYHJZOGIP-CYBMUJFWSA-N 2 1 326.391 1.705 20 0 EDADMP C[N@H+](CC[C@@H]1CCNC1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000653625774 452047673 /nfs/dbraw/zinc/04/76/73/452047673.db2.gz REFYGZBOBLUEQZ-HKUYNNGSSA-N 2 1 331.460 1.081 20 0 EDADMP C[N@@H+](CC[C@@H]1CCNC1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000653625774 452047676 /nfs/dbraw/zinc/04/76/76/452047676.db2.gz REFYGZBOBLUEQZ-HKUYNNGSSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+](CC[C@@H]1CCNC1=O)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000653625774 452047680 /nfs/dbraw/zinc/04/76/80/452047680.db2.gz REFYGZBOBLUEQZ-HKUYNNGSSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+](CC[C@@H]1CCNC1=O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000653625774 452047683 /nfs/dbraw/zinc/04/76/83/452047683.db2.gz REFYGZBOBLUEQZ-HKUYNNGSSA-N 2 1 331.460 1.081 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000649370253 452047809 /nfs/dbraw/zinc/04/78/09/452047809.db2.gz IVHFLUYOMLSLKJ-VQHPVUNQSA-N 2 1 337.508 1.911 20 0 EDADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(C[NH+]2CCCC2)on1 ZINC000643229869 452084267 /nfs/dbraw/zinc/08/42/67/452084267.db2.gz ZEHUFAHAHAXMHM-HNNXBMFYSA-N 2 1 348.447 1.254 20 0 EDADMP [NH3+]C1(CC(=O)N[C@@H]2CCC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000637806573 452092375 /nfs/dbraw/zinc/09/23/75/452092375.db2.gz YLZQBANAGKVUKG-QGZVFWFLSA-N 3 1 330.476 1.238 20 0 EDADMP C[NH+]1CCC2(CC[N@@H+](CCC(=O)NCC(=O)c3ccccc3)C2)CC1 ZINC000639756666 452096923 /nfs/dbraw/zinc/09/69/23/452096923.db2.gz BENWGKNKNOOGOB-UHFFFAOYSA-N 2 1 343.471 1.793 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CC[NH2+]1 ZINC000637840846 452111975 /nfs/dbraw/zinc/11/19/75/452111975.db2.gz LETKCEZXOWWBAS-IMFGXOCKSA-N 2 1 343.471 1.345 20 0 EDADMP CC[C@H](COC)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637907982 452156235 /nfs/dbraw/zinc/15/62/35/452156235.db2.gz WJKZRPCDOFAQPJ-QGZVFWFLSA-N 2 1 333.476 1.911 20 0 EDADMP Cc1[nH]c2nc[nH+]c(NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)c2c1C ZINC000645152518 452180705 /nfs/dbraw/zinc/18/07/05/452180705.db2.gz HQRKSYJQJKMPQV-CQSZACIVSA-N 2 1 344.463 1.929 20 0 EDADMP Cc1[nH]c2nc[nH+]c(NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)c2c1C ZINC000645152518 452180709 /nfs/dbraw/zinc/18/07/09/452180709.db2.gz HQRKSYJQJKMPQV-CQSZACIVSA-N 2 1 344.463 1.929 20 0 EDADMP COc1cc(F)c(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1OC ZINC000651953096 452188660 /nfs/dbraw/zinc/18/86/60/452188660.db2.gz QQGPUTWFABYZOS-UHFFFAOYSA-N 2 1 339.455 1.960 20 0 EDADMP CC(C)N1CC[NH+](CCCN2CCn3c(CC4CC4)nnc3C2)CC1 ZINC000649704645 452205266 /nfs/dbraw/zinc/20/52/66/452205266.db2.gz PSXHTJGQJURTNV-UHFFFAOYSA-N 2 1 346.523 1.462 20 0 EDADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccncc2N)c2cccs2)CC1 ZINC000641700616 452206595 /nfs/dbraw/zinc/20/65/95/452206595.db2.gz GRIMOOCGWWVICX-MRXNPFEDSA-N 2 1 331.489 1.804 20 0 EDADMP COCC(C)(C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637966352 452210853 /nfs/dbraw/zinc/21/08/53/452210853.db2.gz YXDMIYNEMFIYCW-UHFFFAOYSA-N 2 1 333.476 1.911 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1)N1CC[NH2+]CC1 ZINC000647486433 452230127 /nfs/dbraw/zinc/23/01/27/452230127.db2.gz PIDFCERITROGKZ-CYBMUJFWSA-N 2 1 334.489 1.276 20 0 EDADMP [NH3+]C1(CC(=O)N[C@@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638004827 452243353 /nfs/dbraw/zinc/24/33/53/452243353.db2.gz HRTACYFLRQPQPH-MRXNPFEDSA-N 2 1 333.501 1.992 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000663551813 452258178 /nfs/dbraw/zinc/25/81/78/452258178.db2.gz KESOOMKRPLPQRY-IYBDPMFKSA-N 2 1 342.528 1.905 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000663551813 452258188 /nfs/dbraw/zinc/25/81/88/452258188.db2.gz KESOOMKRPLPQRY-IYBDPMFKSA-N 2 1 342.528 1.905 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000663551813 452258201 /nfs/dbraw/zinc/25/82/01/452258201.db2.gz KESOOMKRPLPQRY-IYBDPMFKSA-N 2 1 342.528 1.905 20 0 EDADMP CCN(C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000663554162 452262184 /nfs/dbraw/zinc/26/21/84/452262184.db2.gz QZPAZVJJZBFLCI-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CCN(C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000663554162 452262194 /nfs/dbraw/zinc/26/21/94/452262194.db2.gz QZPAZVJJZBFLCI-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CCN(C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000663554162 452262202 /nfs/dbraw/zinc/26/22/02/452262202.db2.gz QZPAZVJJZBFLCI-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2-n2cncn2)CC12CCOCC2 ZINC000647545429 452275405 /nfs/dbraw/zinc/27/54/05/452275405.db2.gz FWOWVMMEHVNZGK-INIZCTEOSA-N 2 1 327.432 1.455 20 0 EDADMP CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641803679 452279764 /nfs/dbraw/zinc/27/97/64/452279764.db2.gz DKNQGJNXEUBLMS-HOTGVXAUSA-N 2 1 346.475 1.823 20 0 EDADMP C[C@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1c1[nH+]ccc2[nH]ccc21 ZINC000663563093 452280541 /nfs/dbraw/zinc/28/05/41/452280541.db2.gz DAJLNNJMVZKFCK-LSDHHAIUSA-N 2 1 329.448 1.404 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000641805032 452282185 /nfs/dbraw/zinc/28/21/85/452282185.db2.gz MJITVDKSSLIIKT-HUUCEWRRSA-N 2 1 330.432 1.233 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1F ZINC000641809679 452291506 /nfs/dbraw/zinc/29/15/06/452291506.db2.gz YMPXABJJCZZNSJ-IUIKQTSFSA-N 2 1 337.439 1.897 20 0 EDADMP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000663578829 452303206 /nfs/dbraw/zinc/30/32/06/452303206.db2.gz OKOMYUTZKVUGNR-MRXNPFEDSA-N 2 1 339.528 1.184 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000663578829 452303210 /nfs/dbraw/zinc/30/32/10/452303210.db2.gz OKOMYUTZKVUGNR-MRXNPFEDSA-N 2 1 339.528 1.184 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000663578829 452303220 /nfs/dbraw/zinc/30/32/20/452303220.db2.gz OKOMYUTZKVUGNR-MRXNPFEDSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@]1(NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[NH2+]C1 ZINC000663586554 452311930 /nfs/dbraw/zinc/31/19/30/452311930.db2.gz YKNZVIAIMVORQF-GOSISDBHSA-N 2 1 332.448 1.435 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000652155830 452348342 /nfs/dbraw/zinc/34/83/42/452348342.db2.gz OELQSEKUGGRAGI-OAHLLOKOSA-N 2 1 334.464 1.174 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@]1(C)CC1(F)F ZINC000665763965 452348361 /nfs/dbraw/zinc/34/83/61/452348361.db2.gz QEJOGPVHNBAOIA-ZFWWWQNUSA-N 2 1 334.455 1.993 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@]1(C)CC1(F)F ZINC000665763965 452348369 /nfs/dbraw/zinc/34/83/69/452348369.db2.gz QEJOGPVHNBAOIA-ZFWWWQNUSA-N 2 1 334.455 1.993 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000659492770 452355502 /nfs/dbraw/zinc/35/55/02/452355502.db2.gz KFFINTJGTQGTSH-JGWYNZBZSA-N 2 1 328.460 1.701 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638062524 452358383 /nfs/dbraw/zinc/35/83/83/452358383.db2.gz FURGWJUTIRMSCF-FHLIZLRMSA-N 2 1 331.460 1.793 20 0 EDADMP C[C@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000638070537 452377263 /nfs/dbraw/zinc/37/72/63/452377263.db2.gz YYOZPPSBTHOOQS-ZHALLVOQSA-N 2 1 346.519 1.825 20 0 EDADMP C[C@H](CNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000638070537 452377271 /nfs/dbraw/zinc/37/72/71/452377271.db2.gz YYOZPPSBTHOOQS-ZHALLVOQSA-N 2 1 346.519 1.825 20 0 EDADMP C[C@H](CNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000638070537 452377278 /nfs/dbraw/zinc/37/72/78/452377278.db2.gz YYOZPPSBTHOOQS-ZHALLVOQSA-N 2 1 346.519 1.825 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659533064 452394710 /nfs/dbraw/zinc/39/47/10/452394710.db2.gz XYMFMEVHICVKTC-CHWSQXEVSA-N 2 1 330.354 1.164 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000659535856 452396506 /nfs/dbraw/zinc/39/65/06/452396506.db2.gz LGJGJSCBZQILNH-ZWKOTPCHSA-N 2 1 346.475 1.195 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000638081529 452398063 /nfs/dbraw/zinc/39/80/63/452398063.db2.gz MTIOJWBVJHEBNX-HNNXBMFYSA-N 2 1 344.459 1.910 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000663656637 452398440 /nfs/dbraw/zinc/39/84/40/452398440.db2.gz WKPSKFGMOVHZBN-UHFFFAOYSA-N 2 1 328.501 1.518 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652214828 452409360 /nfs/dbraw/zinc/40/93/60/452409360.db2.gz UHXBUJZEGJQGLN-KBAYOESNSA-N 2 1 330.476 1.553 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652214828 452409370 /nfs/dbraw/zinc/40/93/70/452409370.db2.gz UHXBUJZEGJQGLN-KBAYOESNSA-N 2 1 330.476 1.553 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000663687256 452425147 /nfs/dbraw/zinc/42/51/47/452425147.db2.gz JCGHMIYJWVWMIZ-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP CC(CC[NH+](C)C[C@@H]1COCCO1)CC[N@@H+](C)C[C@@H]1COCCO1 ZINC000661613178 452433791 /nfs/dbraw/zinc/43/37/91/452433791.db2.gz GZQONGRLFQCBCD-QZTJIDSGSA-N 2 1 344.496 1.097 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000647707659 452440130 /nfs/dbraw/zinc/44/01/30/452440130.db2.gz BGXQNBCQCFVXDU-ATZDWAIDSA-N 2 1 343.471 1.101 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1)[N@H+]1CCc2ccccc2C1 ZINC000647707659 452440134 /nfs/dbraw/zinc/44/01/34/452440134.db2.gz BGXQNBCQCFVXDU-ATZDWAIDSA-N 2 1 343.471 1.101 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000647707659 452440143 /nfs/dbraw/zinc/44/01/43/452440143.db2.gz BGXQNBCQCFVXDU-ATZDWAIDSA-N 2 1 343.471 1.101 20 0 EDADMP C[C@H](C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)[NH+]1CCc2ccccc2C1 ZINC000647707659 452440151 /nfs/dbraw/zinc/44/01/51/452440151.db2.gz BGXQNBCQCFVXDU-ATZDWAIDSA-N 2 1 343.471 1.101 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000654387803 452440992 /nfs/dbraw/zinc/44/09/92/452440992.db2.gz CSNPLQZDXJNBEK-LUKYLMHMSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000654387803 452440997 /nfs/dbraw/zinc/44/09/97/452440997.db2.gz CSNPLQZDXJNBEK-LUKYLMHMSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H]([NH+](C)CCc2ccccc2)C1 ZINC000661641872 452457252 /nfs/dbraw/zinc/45/72/52/452457252.db2.gz XDSXSAMRJKHFBQ-UXHICEINSA-N 2 1 333.520 1.936 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)CN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000661641872 452457255 /nfs/dbraw/zinc/45/72/55/452457255.db2.gz XDSXSAMRJKHFBQ-UXHICEINSA-N 2 1 333.520 1.936 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)CN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000661641872 452457260 /nfs/dbraw/zinc/45/72/60/452457260.db2.gz XDSXSAMRJKHFBQ-UXHICEINSA-N 2 1 333.520 1.936 20 0 EDADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000661639739 452457941 /nfs/dbraw/zinc/45/79/41/452457941.db2.gz OJTFBQPJLUJLFB-UXHICEINSA-N 2 1 331.504 1.690 20 0 EDADMP C[NH+](C[C@H](O)CN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)C1CC1 ZINC000661639739 452457947 /nfs/dbraw/zinc/45/79/47/452457947.db2.gz OJTFBQPJLUJLFB-UXHICEINSA-N 2 1 331.504 1.690 20 0 EDADMP C[NH+](C[C@H](O)CN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)C1CC1 ZINC000661639739 452457954 /nfs/dbraw/zinc/45/79/54/452457954.db2.gz OJTFBQPJLUJLFB-UXHICEINSA-N 2 1 331.504 1.690 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)[C@@H](C)C[NH2+]1 ZINC000659611588 452468208 /nfs/dbraw/zinc/46/82/08/452468208.db2.gz SGMQLOGOQNFGLM-CAOSSQGBSA-N 2 1 336.480 1.022 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645506909 452474143 /nfs/dbraw/zinc/47/41/43/452474143.db2.gz FTDWINJYWDGQFV-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659618434 452476862 /nfs/dbraw/zinc/47/68/62/452476862.db2.gz HQNDQEHBMOAMOD-OAHLLOKOSA-N 2 1 327.517 1.075 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](CCF)C2)C1 ZINC000661694983 452499391 /nfs/dbraw/zinc/49/93/91/452499391.db2.gz LFXAYZXTFVNBDZ-IRXDYDNUSA-N 2 1 343.487 1.531 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H](CCF)C2)C1 ZINC000661694983 452499398 /nfs/dbraw/zinc/49/93/98/452499398.db2.gz LFXAYZXTFVNBDZ-IRXDYDNUSA-N 2 1 343.487 1.531 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H](CCF)C2)C1 ZINC000661694983 452499408 /nfs/dbraw/zinc/49/94/08/452499408.db2.gz LFXAYZXTFVNBDZ-IRXDYDNUSA-N 2 1 343.487 1.531 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000655680960 452505593 /nfs/dbraw/zinc/50/55/93/452505593.db2.gz QSVPRIAZUOAZDW-JKSUJKDBSA-N 2 1 326.485 1.007 20 0 EDADMP C[C@@H]1CN(C(C)(C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000655695424 452517646 /nfs/dbraw/zinc/51/76/46/452517646.db2.gz MEIUJWYDLGYBPE-JZXOWHBKSA-N 2 1 339.524 1.717 20 0 EDADMP Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652345993 452520685 /nfs/dbraw/zinc/52/06/85/452520685.db2.gz QNYXJJWKQAYGTF-GBESFXJTSA-N 2 1 345.487 1.830 20 0 EDADMP CN(C)C(=O)C1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000655710622 452529525 /nfs/dbraw/zinc/52/95/25/452529525.db2.gz AZUMXSVBBFWXHZ-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1CCC[N@H+](CC(=O)NCCOc2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000652355355 452532827 /nfs/dbraw/zinc/53/28/27/452532827.db2.gz WKUTWFCLUZNBOB-WMLDXEAASA-N 2 1 337.439 1.770 20 0 EDADMP C[C@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000652355355 452532830 /nfs/dbraw/zinc/53/28/30/452532830.db2.gz WKUTWFCLUZNBOB-WMLDXEAASA-N 2 1 337.439 1.770 20 0 EDADMP CC(C)CN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)C1CC1 ZINC000652361565 452542539 /nfs/dbraw/zinc/54/25/39/452542539.db2.gz KGQGEACELYOKCH-NXHRZFHOSA-N 2 1 337.508 1.994 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCC(=O)Nc2cccnc2)C1 ZINC000652363776 452545274 /nfs/dbraw/zinc/54/52/74/452545274.db2.gz NECVDVHBZBASAJ-HYVNUMGLSA-N 2 1 332.448 1.771 20 0 EDADMP c1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)nc1 ZINC000655737356 452549041 /nfs/dbraw/zinc/54/90/41/452549041.db2.gz MDDAQIBEQLPTQI-ROUUACIJSA-N 2 1 330.476 1.893 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000655741445 452551790 /nfs/dbraw/zinc/55/17/90/452551790.db2.gz KHFLTBBWCHQPCO-WMZOPIPTSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000655741445 452551798 /nfs/dbraw/zinc/55/17/98/452551798.db2.gz KHFLTBBWCHQPCO-WMZOPIPTSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000655741445 452551806 /nfs/dbraw/zinc/55/18/06/452551806.db2.gz KHFLTBBWCHQPCO-WMZOPIPTSA-N 2 1 346.475 1.319 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000655741445 452551813 /nfs/dbraw/zinc/55/18/13/452551813.db2.gz KHFLTBBWCHQPCO-WMZOPIPTSA-N 2 1 346.475 1.319 20 0 EDADMP COc1ccc(CCC(=O)N2CCC[N@H+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647882934 452621192 /nfs/dbraw/zinc/62/11/92/452621192.db2.gz QKVHAWWUVJFZEE-SFHVURJKSA-N 2 1 345.487 1.772 20 0 EDADMP COc1ccc(CCC(=O)N2CCC[N@@H+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647882934 452621200 /nfs/dbraw/zinc/62/12/00/452621200.db2.gz QKVHAWWUVJFZEE-SFHVURJKSA-N 2 1 345.487 1.772 20 0 EDADMP Cc1cn2ccc(NC(=O)C(=O)NCC[C@@H]3CCC[N@H+](C)C3)cc2n1 ZINC000658007337 452679353 /nfs/dbraw/zinc/67/93/53/452679353.db2.gz PNVTWZJAHXGTBM-AWEZNQCLSA-N 2 1 343.431 1.429 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000652486673 452680740 /nfs/dbraw/zinc/68/07/40/452680740.db2.gz SWYWPIHOAGSXQS-MRXNPFEDSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000652486673 452680750 /nfs/dbraw/zinc/68/07/50/452680750.db2.gz SWYWPIHOAGSXQS-MRXNPFEDSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000647961310 452704279 /nfs/dbraw/zinc/70/42/79/452704279.db2.gz AHSLSCQKCAXKMO-FHWLQOOXSA-N 2 1 340.556 1.178 20 0 EDADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000647977592 452723971 /nfs/dbraw/zinc/72/39/71/452723971.db2.gz DVGBOQJFRXMVDM-ZACQAIPSSA-N 2 1 343.537 1.370 20 0 EDADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658139078 452746040 /nfs/dbraw/zinc/74/60/40/452746040.db2.gz KRYDLRYQTXCSSY-CDHQVMDDSA-N 3 1 329.488 1.826 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664077241 452770604 /nfs/dbraw/zinc/77/06/04/452770604.db2.gz OXOHYKJIZMAYPT-IAGOWNOFSA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664077241 452770614 /nfs/dbraw/zinc/77/06/14/452770614.db2.gz OXOHYKJIZMAYPT-IAGOWNOFSA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664077241 452770626 /nfs/dbraw/zinc/77/06/26/452770626.db2.gz OXOHYKJIZMAYPT-IAGOWNOFSA-N 2 1 338.496 1.101 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCN(C)CCC[NH+](C)C ZINC000664078215 452772743 /nfs/dbraw/zinc/77/27/43/452772743.db2.gz YEEQDXQHTVXDTN-MRXNPFEDSA-N 2 1 327.517 1.044 20 0 EDADMP [NH3+]C1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)Cc2ccccc2C1 ZINC000648167946 452878429 /nfs/dbraw/zinc/87/84/29/452878429.db2.gz JUCUUANELNCDTQ-PKOBYXMFSA-N 2 1 339.483 1.958 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)c1coc(C[NH3+])c1 ZINC000648176001 452887021 /nfs/dbraw/zinc/88/70/21/452887021.db2.gz OYJPYYCMMSAQJZ-SUMWQHHRSA-N 2 1 345.447 1.627 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCC[N@H+]1C ZINC000648175937 452888251 /nfs/dbraw/zinc/88/82/51/452888251.db2.gz GMYPWRYTDBJOPV-WBTNSWJXSA-N 2 1 333.480 1.294 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659982507 452890226 /nfs/dbraw/zinc/89/02/26/452890226.db2.gz OUAZVJGUWWRQSY-MRXNPFEDSA-N 2 1 339.505 1.758 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000652812402 452968799 /nfs/dbraw/zinc/96/87/99/452968799.db2.gz IQXBBDDWWZIMDC-FHWLQOOXSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000652812402 452968804 /nfs/dbraw/zinc/96/88/04/452968804.db2.gz IQXBBDDWWZIMDC-FHWLQOOXSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000652812402 452968807 /nfs/dbraw/zinc/96/88/07/452968807.db2.gz IQXBBDDWWZIMDC-FHWLQOOXSA-N 2 1 343.471 1.440 20 0 EDADMP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000662253629 452979742 /nfs/dbraw/zinc/97/97/42/452979742.db2.gz BBKSXXNCWNIEFM-CJNGLKHVSA-N 2 1 349.862 1.898 20 0 EDADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000662253629 452979750 /nfs/dbraw/zinc/97/97/50/452979750.db2.gz BBKSXXNCWNIEFM-CJNGLKHVSA-N 2 1 349.862 1.898 20 0 EDADMP NC(=O)[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccc(F)cc1 ZINC000656256131 452993016 /nfs/dbraw/zinc/99/30/16/452993016.db2.gz UMNRZFFAVMGQIH-CRAIPNDOSA-N 2 1 349.450 1.313 20 0 EDADMP CO[C@@H](C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CCCCC1 ZINC000662270672 453000137 /nfs/dbraw/zinc/00/01/37/453000137.db2.gz BPMQEHZSGKYHCX-IRXDYDNUSA-N 2 1 325.497 1.901 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CCC1 ZINC000662280623 453004316 /nfs/dbraw/zinc/00/43/16/453004316.db2.gz GGXZAEUBZSOIRH-IXDOHACOSA-N 2 1 336.480 1.022 20 0 EDADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662280931 453005105 /nfs/dbraw/zinc/00/51/05/453005105.db2.gz IEUMPMYXNXYMAH-BPLDGKMQSA-N 2 1 344.450 1.888 20 0 EDADMP CNC(=O)Cc1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662296404 453019086 /nfs/dbraw/zinc/01/90/86/453019086.db2.gz ZONVBEWGZPSFNK-AWEZNQCLSA-N 2 1 336.505 1.643 20 0 EDADMP O=C1[C@H]([N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1CC(F)(F)F ZINC000662298165 453020736 /nfs/dbraw/zinc/02/07/36/453020736.db2.gz UTBIYVCZVXOIKE-UONOGXRCSA-N 2 1 333.398 1.861 20 0 EDADMP CS(=O)(=O)[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000662298212 453020999 /nfs/dbraw/zinc/02/09/99/453020999.db2.gz MSOAEUSYMWADIX-VXGBXAGGSA-N 2 1 328.400 1.283 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)C1 ZINC000666654972 453041320 /nfs/dbraw/zinc/04/13/20/453041320.db2.gz WCXMNRKKSQPHJK-OALUTQOASA-N 2 1 345.487 1.517 20 0 EDADMP Cc1cnc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)o1 ZINC000662338919 453055889 /nfs/dbraw/zinc/05/58/89/453055889.db2.gz WWPAYYBGNOXJOI-CQSZACIVSA-N 2 1 330.436 1.495 20 0 EDADMP Cc1cnc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)o1 ZINC000662338919 453055898 /nfs/dbraw/zinc/05/58/98/453055898.db2.gz WWPAYYBGNOXJOI-CQSZACIVSA-N 2 1 330.436 1.495 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCN2C[C@H](C)OC[C@H]2C)C1 ZINC000664395703 453059749 /nfs/dbraw/zinc/05/97/49/453059749.db2.gz IYNZHNSMLCQVLO-IXDOHACOSA-N 2 1 340.512 1.373 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)C1 ZINC000666701990 453079225 /nfs/dbraw/zinc/07/92/25/453079225.db2.gz WJIXYOYPVZYRGG-RHSMWYFYSA-N 2 1 335.423 1.476 20 0 EDADMP C[C@H]1CN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC[N@H+](C2CCC2)C1 ZINC000644165789 453095690 /nfs/dbraw/zinc/09/56/90/453095690.db2.gz SJIMBGLAKNVIJV-WBVHZDCISA-N 2 1 334.508 1.987 20 0 EDADMP C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC[NH+](C2CCC2)C1 ZINC000644165789 453095698 /nfs/dbraw/zinc/09/56/98/453095698.db2.gz SJIMBGLAKNVIJV-WBVHZDCISA-N 2 1 334.508 1.987 20 0 EDADMP C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC[NH+](C2CCC2)C1 ZINC000644165789 453095704 /nfs/dbraw/zinc/09/57/04/453095704.db2.gz SJIMBGLAKNVIJV-WBVHZDCISA-N 2 1 334.508 1.987 20 0 EDADMP CC(C)[C@@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000646108898 453112906 /nfs/dbraw/zinc/11/29/06/453112906.db2.gz ZZGMYXTYMKDPIA-SJLPKXTDSA-N 2 1 338.540 1.400 20 0 EDADMP C[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000652940407 453118402 /nfs/dbraw/zinc/11/84/02/453118402.db2.gz JPHTXWVGACMJBA-XLIONFOSSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000652940407 453118414 /nfs/dbraw/zinc/11/84/14/453118414.db2.gz JPHTXWVGACMJBA-XLIONFOSSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@@H]1CN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC[C@@H]1[NH3+] ZINC000662419478 453127756 /nfs/dbraw/zinc/12/77/56/453127756.db2.gz IROOZHQWIVTTLL-APPZFPTMSA-N 2 1 344.278 1.923 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2C(=O)CN(C)C2=O)cc1 ZINC000660204737 453130503 /nfs/dbraw/zinc/13/05/03/453130503.db2.gz OTNXGKADCXNEQK-CYBMUJFWSA-N 2 1 341.415 1.725 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662434669 453141580 /nfs/dbraw/zinc/14/15/80/453141580.db2.gz HKIXNYKMAWZGHR-AWEZNQCLSA-N 2 1 340.265 1.907 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)C1 ZINC000662463316 453172866 /nfs/dbraw/zinc/17/28/66/453172866.db2.gz YDRCICNTKKZWDY-PKOBYXMFSA-N 2 1 342.487 1.459 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662484522 453200654 /nfs/dbraw/zinc/20/06/54/453200654.db2.gz KMUJALLALOOROC-CQSZACIVSA-N 2 1 334.464 1.946 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N1CCOCC1 ZINC000660322778 453211785 /nfs/dbraw/zinc/21/17/85/453211785.db2.gz CVVPHQIRLKGSMU-RDJZCZTQSA-N 2 1 338.496 1.128 20 0 EDADMP [NH3+][C@@H](C(=O)N1CC[NH+]2CCC1CC2)c1ccccc1Br ZINC000662530585 453253332 /nfs/dbraw/zinc/25/33/32/453253332.db2.gz ORCYGDFPJCKQTF-CQSZACIVSA-N 2 1 338.249 1.756 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCCCO1 ZINC000664621959 453256889 /nfs/dbraw/zinc/25/68/89/453256889.db2.gz NTNFAQMIGBKQEF-HOTGVXAUSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCCCO1 ZINC000664621959 453256897 /nfs/dbraw/zinc/25/68/97/453256897.db2.gz NTNFAQMIGBKQEF-HOTGVXAUSA-N 2 1 328.501 1.517 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)COCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646277762 453283465 /nfs/dbraw/zinc/28/34/65/453283465.db2.gz JAWXUFQPUJDRTB-LRDDRELGSA-N 2 1 343.830 1.563 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc2)C1 ZINC000653108953 453294517 /nfs/dbraw/zinc/29/45/17/453294517.db2.gz NHMJZYIPFZHGBS-VQIMIIECSA-N 2 1 346.519 1.814 20 0 EDADMP CC[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000653110067 453296263 /nfs/dbraw/zinc/29/62/63/453296263.db2.gz WUHRXTWPULNCGO-QZTJIDSGSA-N 2 1 332.492 1.219 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000653116552 453304367 /nfs/dbraw/zinc/30/43/67/453304367.db2.gz LPPMCQLDABSUSN-IBGZPJMESA-N 2 1 346.519 1.636 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000653119444 453309001 /nfs/dbraw/zinc/30/90/01/453309001.db2.gz JZOPLGQZAOKDHL-HOTGVXAUSA-N 2 1 330.432 1.656 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000651195112 453346682 /nfs/dbraw/zinc/34/66/82/453346682.db2.gz CBOWGZVXDGJEPQ-MRXNPFEDSA-N 2 1 342.528 1.451 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000651195112 453346690 /nfs/dbraw/zinc/34/66/90/453346690.db2.gz CBOWGZVXDGJEPQ-MRXNPFEDSA-N 2 1 342.528 1.451 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000651195112 453346701 /nfs/dbraw/zinc/34/67/01/453346701.db2.gz CBOWGZVXDGJEPQ-MRXNPFEDSA-N 2 1 342.528 1.451 20 0 EDADMP COc1ccc(C)cc1CN1CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000656690499 453366269 /nfs/dbraw/zinc/36/62/69/453366269.db2.gz IUACCJATHIFGIT-LJQANCHMSA-N 2 1 349.519 1.822 20 0 EDADMP COc1ccc(C)cc1C[NH+]1CCN(C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000656690499 453366278 /nfs/dbraw/zinc/36/62/78/453366278.db2.gz IUACCJATHIFGIT-LJQANCHMSA-N 2 1 349.519 1.822 20 0 EDADMP COc1ccc(C)cc1C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000656690499 453366286 /nfs/dbraw/zinc/36/62/86/453366286.db2.gz IUACCJATHIFGIT-LJQANCHMSA-N 2 1 349.519 1.822 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000662658401 453371130 /nfs/dbraw/zinc/37/11/30/453371130.db2.gz FEHMEAJXMCMBHJ-GGPKGHCWSA-N 2 1 327.472 1.761 20 0 EDADMP Cn1ncc(Cl)c1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000667054692 453371528 /nfs/dbraw/zinc/37/15/28/453371528.db2.gz RLAZORQJWFPLKW-UHFFFAOYSA-N 2 1 334.811 1.473 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000662661166 453375298 /nfs/dbraw/zinc/37/52/98/453375298.db2.gz LSJNVTZAJRYWOI-SFHVURJKSA-N 2 1 345.487 1.530 20 0 EDADMP [NH3+][C@@H](C(=O)NCC[NH+]1CCCC1)c1ccccc1Br ZINC000662668231 453382664 /nfs/dbraw/zinc/38/26/64/453382664.db2.gz JJDVXTSAPDZFOZ-CYBMUJFWSA-N 2 1 326.238 1.661 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000658778108 453384612 /nfs/dbraw/zinc/38/46/12/453384612.db2.gz KIBQFHBXUABXKS-MRXNPFEDSA-N 2 1 330.432 1.171 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000658778108 453384620 /nfs/dbraw/zinc/38/46/20/453384620.db2.gz KIBQFHBXUABXKS-MRXNPFEDSA-N 2 1 330.432 1.171 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000658778108 453384625 /nfs/dbraw/zinc/38/46/25/453384625.db2.gz KIBQFHBXUABXKS-MRXNPFEDSA-N 2 1 330.432 1.171 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000658778108 453384631 /nfs/dbraw/zinc/38/46/31/453384631.db2.gz KIBQFHBXUABXKS-MRXNPFEDSA-N 2 1 330.432 1.171 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCC(F)(F)C1 ZINC000664799293 453411301 /nfs/dbraw/zinc/41/13/01/453411301.db2.gz PLKYYEHQPAYUDG-KBPBESRZSA-N 2 1 334.455 1.993 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCC(F)(F)C1 ZINC000664799293 453411305 /nfs/dbraw/zinc/41/13/05/453411305.db2.gz PLKYYEHQPAYUDG-KBPBESRZSA-N 2 1 334.455 1.993 20 0 EDADMP CCc1ccnc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000664806109 453417492 /nfs/dbraw/zinc/41/74/92/453417492.db2.gz BPLOIYDZGVPQCF-HNNXBMFYSA-N 2 1 335.496 1.715 20 0 EDADMP CCc1ccnc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000664806109 453417496 /nfs/dbraw/zinc/41/74/96/453417496.db2.gz BPLOIYDZGVPQCF-HNNXBMFYSA-N 2 1 335.496 1.715 20 0 EDADMP [NH3+][C@H](CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ccccc1 ZINC000662705780 453427739 /nfs/dbraw/zinc/42/77/39/453427739.db2.gz UKFJQEBRPHLOLS-KZNAEPCWSA-N 2 1 343.471 1.836 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000662743349 453471611 /nfs/dbraw/zinc/47/16/11/453471611.db2.gz YIFJNDDCPCHKKD-ROUUACIJSA-N 2 1 330.476 1.046 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662745923 453474609 /nfs/dbraw/zinc/47/46/09/453474609.db2.gz PVIZRDQPHHXRRV-AWEZNQCLSA-N 2 1 334.468 1.149 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000664919278 453484980 /nfs/dbraw/zinc/48/49/80/453484980.db2.gz ZKXBNFXXOOBLSJ-RDJZCZTQSA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664919278 453484985 /nfs/dbraw/zinc/48/49/85/453484985.db2.gz ZKXBNFXXOOBLSJ-RDJZCZTQSA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664919278 453484989 /nfs/dbraw/zinc/48/49/89/453484989.db2.gz ZKXBNFXXOOBLSJ-RDJZCZTQSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@H](NC(=O)CC1([NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662753998 453490324 /nfs/dbraw/zinc/49/03/24/453490324.db2.gz ALPBHUGWVQTJDU-IRXDYDNUSA-N 2 1 331.460 1.664 20 0 EDADMP CC[C@H](NC(=O)CC1([NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662753998 453490326 /nfs/dbraw/zinc/49/03/26/453490326.db2.gz ALPBHUGWVQTJDU-IRXDYDNUSA-N 2 1 331.460 1.664 20 0 EDADMP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000655443681 453530428 /nfs/dbraw/zinc/53/04/28/453530428.db2.gz UIQSGCQFOZUWEA-QUCCMNQESA-N 2 1 327.472 1.763 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662809726 453543800 /nfs/dbraw/zinc/54/38/00/453543800.db2.gz JYCWNVRVVOVHPZ-UHFFFAOYSA-N 2 1 339.443 1.465 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(OC)n1 ZINC000667332713 453565378 /nfs/dbraw/zinc/56/53/78/453565378.db2.gz JYRLHLDYDNEJNE-HNNXBMFYSA-N 2 1 349.479 1.970 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000662860514 453574877 /nfs/dbraw/zinc/57/48/77/453574877.db2.gz SCQHQRIIYCHPIE-MSOLQXFVSA-N 2 1 331.460 1.259 20 0 EDADMP O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662859805 453574893 /nfs/dbraw/zinc/57/48/93/453574893.db2.gz OTVLUWSVSMTHOR-ZWKOTPCHSA-N 2 1 331.460 1.402 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000662860516 453575202 /nfs/dbraw/zinc/57/52/02/453575202.db2.gz SCQHQRIIYCHPIE-ROUUACIJSA-N 2 1 331.460 1.259 20 0 EDADMP CN(C(=O)c1ccccc1CC[NH3+])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901272 453596398 /nfs/dbraw/zinc/59/63/98/453596398.db2.gz VCDMRVMYVPTTCK-SFHVURJKSA-N 2 1 344.503 1.428 20 0 EDADMP CN(C(=O)c1ccccc1CC[NH3+])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901272 453596400 /nfs/dbraw/zinc/59/64/00/453596400.db2.gz VCDMRVMYVPTTCK-SFHVURJKSA-N 2 1 344.503 1.428 20 0 EDADMP CC[C@@]1(C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662941240 453617399 /nfs/dbraw/zinc/61/73/99/453617399.db2.gz UFCZVKSTUZBKTN-ICSRJNTNSA-N 2 1 344.503 1.451 20 0 EDADMP CC[C@@]1(C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662941240 453617401 /nfs/dbraw/zinc/61/74/01/453617401.db2.gz UFCZVKSTUZBKTN-ICSRJNTNSA-N 2 1 344.503 1.451 20 0 EDADMP CCN(C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000665254699 453626916 /nfs/dbraw/zinc/62/69/16/453626916.db2.gz XNTPRJIKDICEKX-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP CCN(C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000665254699 453626921 /nfs/dbraw/zinc/62/69/21/453626921.db2.gz XNTPRJIKDICEKX-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP CCN(C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000665254699 453626924 /nfs/dbraw/zinc/62/69/24/453626924.db2.gz XNTPRJIKDICEKX-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP CCN(C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000665254699 453626927 /nfs/dbraw/zinc/62/69/27/453626927.db2.gz XNTPRJIKDICEKX-JONQDZQNSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291653 453638311 /nfs/dbraw/zinc/63/83/11/453638311.db2.gz HGKJMQLJQNBVBW-CJNGLKHVSA-N 2 1 327.432 1.251 20 0 EDADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000665292340 453639236 /nfs/dbraw/zinc/63/92/36/453639236.db2.gz YYNNBXDPQBQEIA-BBRMVZONSA-N 2 1 328.416 1.898 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@]3(C)CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000663012271 453646494 /nfs/dbraw/zinc/64/64/94/453646494.db2.gz VHAMMNVVURGYGT-ZRGWGRIASA-N 2 1 331.460 1.778 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@]3(C)CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000663012271 453646498 /nfs/dbraw/zinc/64/64/98/453646498.db2.gz VHAMMNVVURGYGT-ZRGWGRIASA-N 2 1 331.460 1.778 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)C2CCC2)CC1 ZINC000661155759 453739521 /nfs/dbraw/zinc/73/95/21/453739521.db2.gz RVUNAWLXXSKQMY-IBGZPJMESA-N 2 1 345.487 1.390 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665555503 453748474 /nfs/dbraw/zinc/74/84/74/453748474.db2.gz FPQZOYUNYKZNIT-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665555503 453748476 /nfs/dbraw/zinc/74/84/76/453748476.db2.gz FPQZOYUNYKZNIT-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP C[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000663444633 453800981 /nfs/dbraw/zinc/80/09/81/453800981.db2.gz CQVJJRIEQVJYCM-SFHVURJKSA-N 2 1 346.475 1.147 20 0 EDADMP C[NH+](C)[C@H](CC(=O)NCCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000672250469 486673580 /nfs/dbraw/zinc/67/35/80/486673580.db2.gz KRZZDQUNJZNAMD-LJQANCHMSA-N 2 1 346.519 1.823 20 0 EDADMP CN1CCC[N@H+](CCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000672250469 486673585 /nfs/dbraw/zinc/67/35/85/486673585.db2.gz KRZZDQUNJZNAMD-LJQANCHMSA-N 2 1 346.519 1.823 20 0 EDADMP CN1CCC[N@@H+](CCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000672250469 486673590 /nfs/dbraw/zinc/67/35/90/486673590.db2.gz KRZZDQUNJZNAMD-LJQANCHMSA-N 2 1 346.519 1.823 20 0 EDADMP C[C@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676243455 486703402 /nfs/dbraw/zinc/70/34/02/486703402.db2.gz NEAACCROGZFUKD-VVLHAWIVSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@H](NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676243455 486703404 /nfs/dbraw/zinc/70/34/04/486703404.db2.gz NEAACCROGZFUKD-VVLHAWIVSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676243455 486703409 /nfs/dbraw/zinc/70/34/09/486703409.db2.gz NEAACCROGZFUKD-VVLHAWIVSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243455 486703411 /nfs/dbraw/zinc/70/34/11/486703411.db2.gz NEAACCROGZFUKD-VVLHAWIVSA-N 2 1 340.512 1.373 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC)cn1 ZINC000680233075 486726227 /nfs/dbraw/zinc/72/62/27/486726227.db2.gz FDIPUSNDMUTJNA-OAHLLOKOSA-N 2 1 349.479 1.970 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676308574 486730379 /nfs/dbraw/zinc/73/03/79/486730379.db2.gz YAMPTAWTSBBGKS-USXIJHARSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676308574 486730384 /nfs/dbraw/zinc/73/03/84/486730384.db2.gz YAMPTAWTSBBGKS-USXIJHARSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676308574 486730387 /nfs/dbraw/zinc/73/03/87/486730387.db2.gz YAMPTAWTSBBGKS-USXIJHARSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@H](NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676308574 486730391 /nfs/dbraw/zinc/73/03/91/486730391.db2.gz YAMPTAWTSBBGKS-USXIJHARSA-N 2 1 338.496 1.079 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672740147 486786375 /nfs/dbraw/zinc/78/63/75/486786375.db2.gz TUJYZQAAHIVKQU-MSOLQXFVSA-N 2 1 337.508 1.964 20 0 EDADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000672740147 486786377 /nfs/dbraw/zinc/78/63/77/486786377.db2.gz TUJYZQAAHIVKQU-MSOLQXFVSA-N 2 1 337.508 1.964 20 0 EDADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000672740147 486786380 /nfs/dbraw/zinc/78/63/80/486786380.db2.gz TUJYZQAAHIVKQU-MSOLQXFVSA-N 2 1 337.508 1.964 20 0 EDADMP C[C@@H](C(=O)Nc1ccccc1Nc1cc[nH+]cc1)N1CC[NH+](C)CC1 ZINC000670378794 486882263 /nfs/dbraw/zinc/88/22/63/486882263.db2.gz OHJZULOWJXCRGC-HNNXBMFYSA-N 2 1 339.443 1.822 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000431014304 486901170 /nfs/dbraw/zinc/90/11/70/486901170.db2.gz IUJHNUGJLYHSTD-DLBZAZTESA-N 2 1 334.439 1.191 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000673446152 487003520 /nfs/dbraw/zinc/00/35/20/487003520.db2.gz GNHJVYSZPUUTEQ-LJQANCHMSA-N 2 1 342.487 1.402 20 0 EDADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673519135 487043934 /nfs/dbraw/zinc/04/39/34/487043934.db2.gz YXKZITKFPPWUCI-OTWHNJEPSA-N 2 1 343.471 1.319 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000673519135 487043938 /nfs/dbraw/zinc/04/39/38/487043938.db2.gz YXKZITKFPPWUCI-OTWHNJEPSA-N 2 1 343.471 1.319 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000673519135 487043941 /nfs/dbraw/zinc/04/39/41/487043941.db2.gz YXKZITKFPPWUCI-OTWHNJEPSA-N 2 1 343.471 1.319 20 0 EDADMP O=C(C[NH2+]Cc1ccnn1CC1CC1)NCC[NH+]1CCCCCC1 ZINC000668189683 487136015 /nfs/dbraw/zinc/13/60/15/487136015.db2.gz LLYJQXVAMAEGJC-UHFFFAOYSA-N 2 1 333.480 1.375 20 0 EDADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000677944675 487208287 /nfs/dbraw/zinc/20/82/87/487208287.db2.gz SKFJXHBPYXEVAP-SFHVURJKSA-N 2 1 346.475 1.346 20 0 EDADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000681970210 487268467 /nfs/dbraw/zinc/26/84/67/487268467.db2.gz QBCMPYPCQHURCB-GJZGRUSLSA-N 2 1 340.512 1.203 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000678505773 487322475 /nfs/dbraw/zinc/32/24/75/487322475.db2.gz CMJUWAKCXMQTCV-MRXNPFEDSA-N 2 1 331.464 1.691 20 0 EDADMP CN(C(=O)N[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000675575030 487424738 /nfs/dbraw/zinc/42/47/38/487424738.db2.gz KBVSFULFJYVHFL-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C(=O)N[C@@H]1CCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000675575030 487424741 /nfs/dbraw/zinc/42/47/41/487424741.db2.gz KBVSFULFJYVHFL-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP CN(C(=O)N[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000675575030 487424744 /nfs/dbraw/zinc/42/47/44/487424744.db2.gz KBVSFULFJYVHFL-MSOLQXFVSA-N 2 1 330.476 1.997 20 0 EDADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3Cc3ccccn3)CC[C@H]21 ZINC000675897406 487458014 /nfs/dbraw/zinc/45/80/14/487458014.db2.gz VUTSCHTYHXYBOX-BHIYHBOVSA-N 2 1 342.487 1.989 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3Cc3ccccn3)CC[C@H]21 ZINC000675897406 487458016 /nfs/dbraw/zinc/45/80/16/487458016.db2.gz VUTSCHTYHXYBOX-BHIYHBOVSA-N 2 1 342.487 1.989 20 0 EDADMP C[NH+]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)CC[C@H]21 ZINC000675897406 487458017 /nfs/dbraw/zinc/45/80/17/487458017.db2.gz VUTSCHTYHXYBOX-BHIYHBOVSA-N 2 1 342.487 1.989 20 0 EDADMP C[NH+]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)CC[C@H]21 ZINC000675897406 487458019 /nfs/dbraw/zinc/45/80/19/487458019.db2.gz VUTSCHTYHXYBOX-BHIYHBOVSA-N 2 1 342.487 1.989 20 0 EDADMP C[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538163 485518995 /nfs/dbraw/zinc/51/89/95/485518995.db2.gz BIXRGMRURFIPRI-ZBFHGGJFSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538163 485519003 /nfs/dbraw/zinc/51/90/03/485519003.db2.gz BIXRGMRURFIPRI-ZBFHGGJFSA-N 2 1 326.485 1.256 20 0 EDADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)NC[C@H]1CCCC[NH2+]1 ZINC000669556092 485558626 /nfs/dbraw/zinc/55/86/26/485558626.db2.gz FHVXRHSRQYOLJL-MSOLQXFVSA-N 2 1 346.475 1.195 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669573734 485605522 /nfs/dbraw/zinc/60/55/22/485605522.db2.gz CHSIWPFSBGATFR-QZTJIDSGSA-N 2 1 330.476 1.950 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000669091459 485638431 /nfs/dbraw/zinc/63/84/31/485638431.db2.gz JYSXZADWTOTKBS-OAHLLOKOSA-N 2 1 349.479 1.077 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000669091459 485638438 /nfs/dbraw/zinc/63/84/38/485638438.db2.gz JYSXZADWTOTKBS-OAHLLOKOSA-N 2 1 349.479 1.077 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000669588631 485643143 /nfs/dbraw/zinc/64/31/43/485643143.db2.gz VSFQUFXPMXNEKQ-IRXDYDNUSA-N 2 1 343.475 1.884 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000673770740 485722426 /nfs/dbraw/zinc/72/24/26/485722426.db2.gz DNWIRFLHTWPFPA-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669312789 485959547 /nfs/dbraw/zinc/95/95/47/485959547.db2.gz UZURHOJCECMJBU-GOSISDBHSA-N 2 1 330.476 1.876 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000668641834 485985834 /nfs/dbraw/zinc/98/58/34/485985834.db2.gz AGPQRJULAFCQJK-GOEBONIOSA-N 2 1 334.464 1.678 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCC[NH2+]C3CC3)cc2)C[C@H](C)O1 ZINC000237627831 485994861 /nfs/dbraw/zinc/99/48/61/485994861.db2.gz BIFWDKNRSQLCNT-GASCZTMLSA-N 2 1 331.460 1.778 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCC[NH2+]C3CC3)cc2)C[C@H](C)O1 ZINC000237627831 485994869 /nfs/dbraw/zinc/99/48/69/485994869.db2.gz BIFWDKNRSQLCNT-GASCZTMLSA-N 2 1 331.460 1.778 20 0 EDADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C2CC2)[C@H]1c1ccnn1C ZINC000347902076 486028761 /nfs/dbraw/zinc/02/87/61/486028761.db2.gz MGJYXCFMDOVAFM-HNAYVOBHSA-N 2 1 347.507 1.794 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C ZINC000347902076 486028765 /nfs/dbraw/zinc/02/87/65/486028765.db2.gz MGJYXCFMDOVAFM-HNAYVOBHSA-N 2 1 347.507 1.794 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000347902076 486028773 /nfs/dbraw/zinc/02/87/73/486028773.db2.gz MGJYXCFMDOVAFM-HNAYVOBHSA-N 2 1 347.507 1.794 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCO1 ZINC000669405730 486077507 /nfs/dbraw/zinc/07/75/07/486077507.db2.gz XGTBPEWVSZMSJV-LAQRGFTBSA-N 2 1 346.475 1.580 20 0 EDADMP Cc1cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1-n1cncn1 ZINC000668740922 486113400 /nfs/dbraw/zinc/11/34/00/486113400.db2.gz MQYHGVRUWPCRMV-SFHVURJKSA-N 2 1 341.459 1.607 20 0 EDADMP Cc1cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1-n1cncn1 ZINC000668740922 486113405 /nfs/dbraw/zinc/11/34/05/486113405.db2.gz MQYHGVRUWPCRMV-SFHVURJKSA-N 2 1 341.459 1.607 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC/C=C\C[NH3+])c2)CCO1 ZINC000669412813 486116252 /nfs/dbraw/zinc/11/62/52/486116252.db2.gz QBPTYZRDIHXWAU-GWQWAINWSA-N 2 1 332.448 1.221 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC/C=C\C[NH3+])c2)CCO1 ZINC000669412813 486116257 /nfs/dbraw/zinc/11/62/57/486116257.db2.gz QBPTYZRDIHXWAU-GWQWAINWSA-N 2 1 332.448 1.221 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)NC[C@H]1C[NH2+]CCO1 ZINC000669420293 486140138 /nfs/dbraw/zinc/14/01/38/486140138.db2.gz IANVRNRIEUDHBJ-ZWKOTPCHSA-N 2 1 346.475 1.186 20 0 EDADMP O=C(NCC[NH2+]C1CC1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000669420548 486141014 /nfs/dbraw/zinc/14/10/14/486141014.db2.gz PFSUKFUCZAPCLC-KRWDZBQOSA-N 2 1 330.476 1.950 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000668809844 486219310 /nfs/dbraw/zinc/21/93/10/486219310.db2.gz DIKUTDHZCWVPDX-DOTOQJQBSA-N 2 1 334.464 1.266 20 0 EDADMP C[C@@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)C[NH+]1CCOCC1 ZINC000669492194 486264174 /nfs/dbraw/zinc/26/41/74/486264174.db2.gz CRJLEPWEMRSRIB-AWEZNQCLSA-N 2 1 332.448 1.057 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCCC[NH+]3CCc4ccccc4C3)C[C@@H]21 ZINC000454241716 486443620 /nfs/dbraw/zinc/44/36/20/486443620.db2.gz JGXYUUUCDPWQBH-MOPGFXCFSA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C[C@@H]21 ZINC000454241716 486443623 /nfs/dbraw/zinc/44/36/23/486443623.db2.gz JGXYUUUCDPWQBH-MOPGFXCFSA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)C[C@@H]21 ZINC000454241716 486443626 /nfs/dbraw/zinc/44/36/26/486443626.db2.gz JGXYUUUCDPWQBH-MOPGFXCFSA-N 2 1 342.487 1.780 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000092188369 491202822 /nfs/dbraw/zinc/20/28/22/491202822.db2.gz RDXHQWXASOKCBF-QGZVFWFLSA-N 2 1 346.475 1.617 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CS(=O)(=O)NC)cc2)[C@H](C)C1 ZINC000131889299 491213977 /nfs/dbraw/zinc/21/39/77/491213977.db2.gz FTOVBYYZJFYIKC-PBHICJAKSA-N 2 1 339.505 1.556 20 0 EDADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659555860 501036253 /nfs/dbraw/zinc/03/62/53/501036253.db2.gz UNRIQTIZTLILHL-KLHDSHLOSA-N 2 1 336.480 1.056 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000187124291 528542414 /nfs/dbraw/zinc/54/24/14/528542414.db2.gz VMIGXLMRGVMACL-GOSISDBHSA-N 2 1 348.491 1.437 20 0 EDADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347207189 535158417 /nfs/dbraw/zinc/15/84/17/535158417.db2.gz MMTWAMSJOUQNIJ-CQSZACIVSA-N 2 1 333.480 1.351 20 0 EDADMP CC(C)[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CCCO1 ZINC000339816265 535235057 /nfs/dbraw/zinc/23/50/57/535235057.db2.gz XNUOOWZMWPYONP-QGZVFWFLSA-N 2 1 325.497 1.722 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000346870564 535264059 /nfs/dbraw/zinc/26/40/59/535264059.db2.gz WVIHBTVPCYIULO-IRXDYDNUSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000236833666 535455405 /nfs/dbraw/zinc/45/54/05/535455405.db2.gz YGDGZPFCAJVZOY-IBGZPJMESA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000236833666 535455408 /nfs/dbraw/zinc/45/54/08/535455408.db2.gz YGDGZPFCAJVZOY-IBGZPJMESA-N 2 1 345.487 1.736 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245826441 535542835 /nfs/dbraw/zinc/54/28/35/535542835.db2.gz FSPXDXYWTIQNGH-HOTGVXAUSA-N 2 1 336.480 1.606 20 0 EDADMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245826441 535542843 /nfs/dbraw/zinc/54/28/43/535542843.db2.gz FSPXDXYWTIQNGH-HOTGVXAUSA-N 2 1 336.480 1.606 20 0 EDADMP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)ccc1OCC(F)(F)F ZINC000262141942 535675826 /nfs/dbraw/zinc/67/58/26/535675826.db2.gz PUFUSXGLHGWJIN-CHWSQXEVSA-N 2 1 348.365 1.696 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000262775743 535692180 /nfs/dbraw/zinc/69/21/80/535692180.db2.gz BQCPSWKZEOJWLW-LJQANCHMSA-N 2 1 332.492 1.394 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262717679 535849604 /nfs/dbraw/zinc/84/96/04/535849604.db2.gz WPBDAJAWCMYTJA-YSVLISHTSA-N 2 1 346.475 1.696 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262717676 535850228 /nfs/dbraw/zinc/85/02/28/535850228.db2.gz WPBDAJAWCMYTJA-JLJPHGGASA-N 2 1 346.475 1.696 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)cn1 ZINC000333756022 536054600 /nfs/dbraw/zinc/05/46/00/536054600.db2.gz ZTKRBVAOKOIUOB-IRXDYDNUSA-N 2 1 348.495 1.390 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)cn1 ZINC000333756022 536054602 /nfs/dbraw/zinc/05/46/02/536054602.db2.gz ZTKRBVAOKOIUOB-IRXDYDNUSA-N 2 1 348.495 1.390 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261626186 536110880 /nfs/dbraw/zinc/11/08/80/536110880.db2.gz CPIXIIRRBBJDET-UAGQMJEPSA-N 2 1 337.489 1.496 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)s1 ZINC000262029786 536303092 /nfs/dbraw/zinc/30/30/92/536303092.db2.gz GUNUMUSEOTUJOL-UHFFFAOYSA-N 2 1 346.294 1.764 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000270530036 536334451 /nfs/dbraw/zinc/33/44/51/536334451.db2.gz AZMBOOIWYSPBDJ-RBUKOAKNSA-N 2 1 345.487 1.327 20 0 EDADMP C[NH2+][C@@H](C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1)c1cnn(C)c1 ZINC000261980702 536336295 /nfs/dbraw/zinc/33/62/95/536336295.db2.gz HVOJTKVKTPRHQH-DLBZAZTESA-N 2 1 329.448 1.620 20 0 EDADMP C[NH2+][C@@H](C)Cc1noc([C@H](c2ccccc2)N2CC[NH+](C)CC2)n1 ZINC000261811946 536350439 /nfs/dbraw/zinc/35/04/39/536350439.db2.gz PWPMLIDGMFEXNH-YOEHRIQHSA-N 2 1 329.448 1.557 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237077750 536354970 /nfs/dbraw/zinc/35/49/70/536354970.db2.gz PVCHMVBJMJAPDC-MSOLQXFVSA-N 2 1 330.476 1.315 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C1([NH3+])CCCCC1 ZINC000237137832 536371897 /nfs/dbraw/zinc/37/18/97/536371897.db2.gz KOYCHLWQWDHTCH-UHFFFAOYSA-N 2 1 344.503 1.929 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)C(=S)NCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000741482367 579419419 /nfs/dbraw/zinc/41/94/19/579419419.db2.gz BUJAWEMSTHFUFS-JKSUJKDBSA-N 2 1 342.553 1.245 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=S)NCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000741482367 579419420 /nfs/dbraw/zinc/41/94/20/579419420.db2.gz BUJAWEMSTHFUFS-JKSUJKDBSA-N 2 1 342.553 1.245 20 0 EDADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000741797486 579429139 /nfs/dbraw/zinc/42/91/39/579429139.db2.gz URUKJNJMDSLPBQ-UHFFFAOYSA-N 2 1 345.447 1.871 20 0 EDADMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000728907206 578554104 /nfs/dbraw/zinc/55/41/04/578554104.db2.gz QPRHASBGHWGSCV-QGZVFWFLSA-N 2 1 344.459 1.381 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000728907206 578554105 /nfs/dbraw/zinc/55/41/05/578554105.db2.gz QPRHASBGHWGSCV-QGZVFWFLSA-N 2 1 344.459 1.381 20 0 EDADMP CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000729618651 578585006 /nfs/dbraw/zinc/58/50/06/578585006.db2.gz KQPCCUCZRKWLAG-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)(C)[NH+]1CCCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729618651 578585007 /nfs/dbraw/zinc/58/50/07/578585007.db2.gz KQPCCUCZRKWLAG-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)(C)[NH+]1CCCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000729618651 578585008 /nfs/dbraw/zinc/58/50/08/578585008.db2.gz KQPCCUCZRKWLAG-JKSUJKDBSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000729929098 578604089 /nfs/dbraw/zinc/60/40/89/578604089.db2.gz BAVCVYIJUMSIOS-RLLQIKCJSA-N 2 1 347.503 1.183 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734134720 578799829 /nfs/dbraw/zinc/79/98/29/578799829.db2.gz XGLUWYQJWHXHPO-GOSISDBHSA-N 2 1 331.460 1.490 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734134720 578799830 /nfs/dbraw/zinc/79/98/30/578799830.db2.gz XGLUWYQJWHXHPO-GOSISDBHSA-N 2 1 331.460 1.490 20 0 EDADMP CC[C@H]1CN(C(=S)NC[C@H]2CCC[NH+]2CC)CC[N@H+]1CCOC ZINC000735247613 578871481 /nfs/dbraw/zinc/87/14/81/578871481.db2.gz XUGJQIYXBBYKMX-JKSUJKDBSA-N 2 1 342.553 1.388 20 0 EDADMP CC[C@H]1CN(C(=S)NC[C@H]2CCC[N@@H+]2CC)CC[NH+]1CCOC ZINC000735247613 578871482 /nfs/dbraw/zinc/87/14/82/578871482.db2.gz XUGJQIYXBBYKMX-JKSUJKDBSA-N 2 1 342.553 1.388 20 0 EDADMP CC[C@H]1CN(C(=S)NC[C@H]2CCC[N@H+]2CC)CC[NH+]1CCOC ZINC000735247613 578871483 /nfs/dbraw/zinc/87/14/83/578871483.db2.gz XUGJQIYXBBYKMX-JKSUJKDBSA-N 2 1 342.553 1.388 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC000735282567 578873830 /nfs/dbraw/zinc/87/38/30/578873830.db2.gz YFDCHQZJHXJLRQ-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC000735282567 578873831 /nfs/dbraw/zinc/87/38/31/578873831.db2.gz YFDCHQZJHXJLRQ-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1SCCS1 ZINC000761155960 580050028 /nfs/dbraw/zinc/05/00/28/580050028.db2.gz NBUAULKCCJXWFE-ZDUSSCGKSA-N 2 1 331.551 1.667 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCc2ccc(N3CCOCC3)nc2)C1 ZINC000744452664 579511158 /nfs/dbraw/zinc/51/11/58/579511158.db2.gz NRVOCFUBJZCOMA-OAHLLOKOSA-N 2 1 347.463 1.059 20 0 EDADMP S=C(NCCC[NH+]1CCOCC1)NCCC[NH+]1CCCCCC1 ZINC000747725109 579655956 /nfs/dbraw/zinc/65/59/56/579655956.db2.gz FRYWQJARFRXNJX-UHFFFAOYSA-N 2 1 342.553 1.439 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NCC(F)(F)F ZINC000751011825 579791281 /nfs/dbraw/zinc/79/12/81/579791281.db2.gz OZWMQWCTTXSTRA-LBPRGKRZSA-N 2 1 340.459 1.771 20 0 EDADMP Cn1c(Cl)nc(Cl)c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000752262484 579843599 /nfs/dbraw/zinc/84/35/99/579843599.db2.gz QQWRBZALEWLVPC-UHFFFAOYSA-N 2 1 334.295 1.844 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000756069184 579942951 /nfs/dbraw/zinc/94/29/51/579942951.db2.gz WMBKTZCMOVGKHC-UHFFFAOYSA-N 2 1 331.420 1.334 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764066484 580112602 /nfs/dbraw/zinc/11/26/02/580112602.db2.gz CWUPDCLNEQEJNU-WMZOPIPTSA-N 2 1 347.507 1.456 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)CC[N@@H+]1C ZINC000765278597 580139181 /nfs/dbraw/zinc/13/91/81/580139181.db2.gz KFDBKUSKGFDOPC-GDBMZVCRSA-N 2 1 325.478 1.178 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)CC[N@H+]1C ZINC000765278597 580139182 /nfs/dbraw/zinc/13/91/82/580139182.db2.gz KFDBKUSKGFDOPC-GDBMZVCRSA-N 2 1 325.478 1.178 20 0 EDADMP COc1ccc(CC[C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000765738881 580150229 /nfs/dbraw/zinc/15/02/29/580150229.db2.gz JLBDDRBJYWGGOQ-INIZCTEOSA-N 2 1 333.476 1.770 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000769514680 580238898 /nfs/dbraw/zinc/23/88/98/580238898.db2.gz ATXBISYIGCPUCD-UHFFFAOYSA-N 2 1 340.512 1.397 20 0 EDADMP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[NH+]1CCOCC1 ZINC000769640322 580241958 /nfs/dbraw/zinc/24/19/58/580241958.db2.gz QGSPDWLATWYTGF-LJQANCHMSA-N 2 1 347.503 1.982 20 0 EDADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[NH+]1CCOCC1 ZINC000769640322 580241959 /nfs/dbraw/zinc/24/19/59/580241959.db2.gz QGSPDWLATWYTGF-LJQANCHMSA-N 2 1 347.503 1.982 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C2CC2)CC1 ZINC000771806073 580294782 /nfs/dbraw/zinc/29/47/82/580294782.db2.gz HXZQXMYHYQGNQM-MAUKXSAKSA-N 2 1 331.460 1.252 20 0 EDADMP Cc1cccc(NC(=O)CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000779652439 580493063 /nfs/dbraw/zinc/49/30/63/580493063.db2.gz SXXYYEHLYWUYOP-HNNXBMFYSA-N 2 1 334.420 1.541 20 0 EDADMP Cc1cccc(NC(=O)CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000779652439 580493064 /nfs/dbraw/zinc/49/30/64/580493064.db2.gz SXXYYEHLYWUYOP-HNNXBMFYSA-N 2 1 334.420 1.541 20 0 EDADMP CC(C)(CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000790290967 580766138 /nfs/dbraw/zinc/76/61/38/580766138.db2.gz RJPMLMMVNITIPM-HOTGVXAUSA-N 2 1 338.496 1.271 20 0 EDADMP CON(C)C(=O)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796445446 580954017 /nfs/dbraw/zinc/95/40/17/580954017.db2.gz UVRDYQWRHITDLZ-LJQANCHMSA-N 2 1 331.460 1.994 20 0 EDADMP CON(C)C(=O)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000796445446 580954018 /nfs/dbraw/zinc/95/40/18/580954018.db2.gz UVRDYQWRHITDLZ-LJQANCHMSA-N 2 1 331.460 1.994 20 0 EDADMP CON(C)C(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000796445446 580954019 /nfs/dbraw/zinc/95/40/19/580954019.db2.gz UVRDYQWRHITDLZ-LJQANCHMSA-N 2 1 331.460 1.994 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000893112732 590666913 /nfs/dbraw/zinc/66/69/13/590666913.db2.gz POUIEZJXDOSLPK-HNNXBMFYSA-N 2 1 328.501 1.184 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NCC[NH+]3CCc4ccccc4C3)C[C@H]2C1 ZINC000891881897 590669358 /nfs/dbraw/zinc/66/93/58/590669358.db2.gz MVZXDTQNJCUZLX-HDICACEKSA-N 2 1 328.460 1.248 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000891954122 590704883 /nfs/dbraw/zinc/70/48/83/590704883.db2.gz CQCRYROWMXEPCM-FRRDWIJNSA-N 2 1 336.402 1.497 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000892046842 590770932 /nfs/dbraw/zinc/77/09/32/590770932.db2.gz RRDMWPWCBDITOP-JQHSSLGASA-N 2 1 330.476 1.806 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])C1 ZINC000892139291 590819012 /nfs/dbraw/zinc/81/90/12/590819012.db2.gz MYSNCQFRIFTLSE-WMZOPIPTSA-N 2 1 348.491 1.622 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])C1 ZINC000892139291 590819015 /nfs/dbraw/zinc/81/90/15/590819015.db2.gz MYSNCQFRIFTLSE-WMZOPIPTSA-N 2 1 348.491 1.622 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000892279343 590909595 /nfs/dbraw/zinc/90/95/95/590909595.db2.gz XFSNILWRILBFNZ-INIZCTEOSA-N 2 1 346.475 1.583 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1 ZINC000888985375 590955708 /nfs/dbraw/zinc/95/57/08/590955708.db2.gz VSIYNJSRCQQQFX-UHFFFAOYSA-N 2 1 346.519 1.848 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892344414 590973176 /nfs/dbraw/zinc/97/31/76/590973176.db2.gz RLYUYUCFECRZNQ-OAHLLOKOSA-N 2 1 330.476 1.816 20 0 EDADMP CN(C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000893699470 591053217 /nfs/dbraw/zinc/05/32/17/591053217.db2.gz MVPXVOBAFZQSDY-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP CN(C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CCC[N@H+](C)C1 ZINC000893699470 591053222 /nfs/dbraw/zinc/05/32/22/591053222.db2.gz MVPXVOBAFZQSDY-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1C(F)(F)F ZINC000891365712 591062580 /nfs/dbraw/zinc/06/25/80/591062580.db2.gz NOTOPVHQOWXXOL-DMDPSCGWSA-N 2 1 334.386 1.249 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)[N@H+]1CCc2ccccc2C1 ZINC000891446823 591074890 /nfs/dbraw/zinc/07/48/90/591074890.db2.gz RHFJKUKNCGBRFO-MNEFBYGVSA-N 2 1 342.487 1.969 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000891535533 591111328 /nfs/dbraw/zinc/11/13/28/591111328.db2.gz UFTZPJIVZVGLLK-FUHWJXTLSA-N 2 1 332.492 1.943 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891538124 591113204 /nfs/dbraw/zinc/11/32/04/591113204.db2.gz QFKFTJPKXTWEGS-AEFFLSMTSA-N 2 1 338.496 1.272 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891536185 591114008 /nfs/dbraw/zinc/11/40/08/591114008.db2.gz POEWEZAKEMGELE-KDOFPFPSSA-N 2 1 341.459 1.841 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000891576707 591133234 /nfs/dbraw/zinc/13/32/34/591133234.db2.gz NMGJJFXLAHWTQW-CVEARBPZSA-N 2 1 338.496 1.319 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892755189 591163367 /nfs/dbraw/zinc/16/33/67/591163367.db2.gz FZIIEEKIODJWSB-CVEARBPZSA-N 2 1 338.496 1.269 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cn1 ZINC000892764670 591166209 /nfs/dbraw/zinc/16/62/09/591166209.db2.gz WDJYHFGOXQDNNN-LNLFQRSKSA-N 2 1 345.491 1.056 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000891658959 591172051 /nfs/dbraw/zinc/17/20/51/591172051.db2.gz BXRYEWCSQDWTFA-BLFANLJRSA-N 2 1 334.386 1.390 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891673671 591179767 /nfs/dbraw/zinc/17/97/67/591179767.db2.gz QLWRRJQQSANEHV-PWSUYJOCSA-N 2 1 335.477 1.152 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891673668 591179994 /nfs/dbraw/zinc/17/99/94/591179994.db2.gz QLWRRJQQSANEHV-CMPLNLGQSA-N 2 1 335.477 1.152 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000891684496 591183422 /nfs/dbraw/zinc/18/34/22/591183422.db2.gz BURWOJYDPASVBI-QAETUUGQSA-N 2 1 338.496 1.447 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000891686049 591185426 /nfs/dbraw/zinc/18/54/26/591185426.db2.gz YSYWCSHMMLFJBC-CVEARBPZSA-N 2 1 338.496 1.543 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000891757895 591213792 /nfs/dbraw/zinc/21/37/92/591213792.db2.gz ADALDFRRUNCGKE-DKIMLUQUSA-N 2 1 328.460 1.653 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H]2CSC[C@]2(C)C1 ZINC000895666852 591247280 /nfs/dbraw/zinc/24/72/80/591247280.db2.gz SOKVMBNGCIZFSE-UXLLHSPISA-N 2 1 342.553 1.653 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H]2CSC[C@]2(C)C1 ZINC000895666852 591247282 /nfs/dbraw/zinc/24/72/82/591247282.db2.gz SOKVMBNGCIZFSE-UXLLHSPISA-N 2 1 342.553 1.653 20 0 EDADMP COC(=O)c1cnc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000894255378 591250059 /nfs/dbraw/zinc/25/00/59/591250059.db2.gz XSWQTBVKYMWRBW-GFCCVEGCSA-N 2 1 338.477 1.188 20 0 EDADMP COCC[N@H+](Cc1c2c(nn1C)CCOC2)CC1CC[NH+](C)CC1 ZINC000895691347 591250624 /nfs/dbraw/zinc/25/06/24/591250624.db2.gz GIWORRMJIRXGRZ-UHFFFAOYSA-N 2 1 336.480 1.283 20 0 EDADMP COc1cnc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc1N[C@H]1CC[NH+](C)[C@@H]1C ZINC000895740196 591262283 /nfs/dbraw/zinc/26/22/83/591262283.db2.gz MFSQHTQRRZWEPR-YIYPIFLZSA-N 2 1 334.468 1.494 20 0 EDADMP COc1cnc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc1N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000895740196 591262284 /nfs/dbraw/zinc/26/22/84/591262284.db2.gz MFSQHTQRRZWEPR-YIYPIFLZSA-N 2 1 334.468 1.494 20 0 EDADMP COc1cnc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc1N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000895740196 591262286 /nfs/dbraw/zinc/26/22/86/591262286.db2.gz MFSQHTQRRZWEPR-YIYPIFLZSA-N 2 1 334.468 1.494 20 0 EDADMP C[NH+]1CCN(C2CC[NH+]([C@@H]3CCC4(C[C@H]3F)OCCO4)CC2)CC1 ZINC000895845181 591283919 /nfs/dbraw/zinc/28/39/19/591283919.db2.gz KQQUMZSLWZNREM-IAGOWNOFSA-N 2 1 341.471 1.332 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)C1C[NH+](C2CCOCC2)C1 ZINC000895848100 591286801 /nfs/dbraw/zinc/28/68/01/591286801.db2.gz KOBOEBKKDRKLPB-UHFFFAOYSA-N 2 1 349.500 1.333 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)C1C[NH+](C2CCOCC2)C1 ZINC000895848100 591286804 /nfs/dbraw/zinc/28/68/04/591286804.db2.gz KOBOEBKKDRKLPB-UHFFFAOYSA-N 2 1 349.500 1.333 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000894454957 591317161 /nfs/dbraw/zinc/31/71/61/591317161.db2.gz CQNAORGGLZFKQS-CABCVRRESA-N 2 1 331.526 1.366 20 0 EDADMP CN(Cc1cnc2n1CCOC2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894459877 591318629 /nfs/dbraw/zinc/31/86/29/591318629.db2.gz QVCBFJLGOVGQDY-MRXNPFEDSA-N 2 1 333.480 1.014 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000897469667 591471187 /nfs/dbraw/zinc/47/11/87/591471187.db2.gz OJRNALJLMWJDKL-INIZCTEOSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[C@@H]1C[NH+](C)CCN1C ZINC000896541785 591505664 /nfs/dbraw/zinc/50/56/64/591505664.db2.gz IDDNXFOKEYGBTG-SZMVWBNQSA-N 2 1 336.524 1.534 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896541785 591505667 /nfs/dbraw/zinc/50/56/67/591505667.db2.gz IDDNXFOKEYGBTG-SZMVWBNQSA-N 2 1 336.524 1.534 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896541785 591505670 /nfs/dbraw/zinc/50/56/70/591505670.db2.gz IDDNXFOKEYGBTG-SZMVWBNQSA-N 2 1 336.524 1.534 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@@H]2CCCC[NH+](C)C2)C[C@H](C)O1 ZINC000897553956 591550838 /nfs/dbraw/zinc/55/08/38/591550838.db2.gz HJZXYYTVEGCKAP-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@@H]2CCCC[NH+](C)C2)C[C@H](C)O1 ZINC000897553956 591550841 /nfs/dbraw/zinc/55/08/41/591550841.db2.gz HJZXYYTVEGCKAP-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)C[C@H](C)O1 ZINC000897553956 591550843 /nfs/dbraw/zinc/55/08/43/591550843.db2.gz HJZXYYTVEGCKAP-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000897553956 591550845 /nfs/dbraw/zinc/55/08/45/591550845.db2.gz HJZXYYTVEGCKAP-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000729612084 591560036 /nfs/dbraw/zinc/56/00/36/591560036.db2.gz USAMNBGHNFJKHF-UHFFFAOYSA-N 2 1 336.480 1.468 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)NCC[N@H+]2CCCC2(C)C)CC1 ZINC000909428134 591560284 /nfs/dbraw/zinc/56/02/84/591560284.db2.gz BCPMEECFSVXIIO-UHFFFAOYSA-N 2 1 338.540 1.783 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NCC[N@@H+]2CCCC2(C)C)CC1 ZINC000909428134 591560287 /nfs/dbraw/zinc/56/02/87/591560287.db2.gz BCPMEECFSVXIIO-UHFFFAOYSA-N 2 1 338.540 1.783 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NCC[N@H+]2CCCC2(C)C)CC1 ZINC000909428134 591560289 /nfs/dbraw/zinc/56/02/89/591560289.db2.gz BCPMEECFSVXIIO-UHFFFAOYSA-N 2 1 338.540 1.783 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897101559 591740178 /nfs/dbraw/zinc/74/01/78/591740178.db2.gz ONVKCKIADFVGMA-MRXNPFEDSA-N 2 1 337.508 1.581 20 0 EDADMP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000895525887 591788663 /nfs/dbraw/zinc/78/86/63/591788663.db2.gz CRQMSAWHJMKAHA-IBGZPJMESA-N 2 1 343.471 1.442 20 0 EDADMP Cc1ccc2c(c1)[C@@H]1C[NH+](C)CC[C@@H]1N2C(=O)[C@@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000901779569 591835495 /nfs/dbraw/zinc/83/54/95/591835495.db2.gz URUOKTQQTPXPRM-XIVBQZFQSA-N 2 1 343.471 1.848 20 0 EDADMP Cc1ccc2c(c1)[C@@H]1C[NH+](C)CC[C@@H]1N2C(=O)[C@@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000901779569 591835497 /nfs/dbraw/zinc/83/54/97/591835497.db2.gz URUOKTQQTPXPRM-XIVBQZFQSA-N 2 1 343.471 1.848 20 0 EDADMP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@@H]1C[NH+](C)C[C@@H](C)O1 ZINC000901779569 591835498 /nfs/dbraw/zinc/83/54/98/591835498.db2.gz URUOKTQQTPXPRM-XIVBQZFQSA-N 2 1 343.471 1.848 20 0 EDADMP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H]1C[NH+](C)C[C@@H](C)O1 ZINC000901779569 591835500 /nfs/dbraw/zinc/83/55/00/591835500.db2.gz URUOKTQQTPXPRM-XIVBQZFQSA-N 2 1 343.471 1.848 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900191880 591935130 /nfs/dbraw/zinc/93/51/30/591935130.db2.gz JEWPPHGSKXLFSX-UHFFFAOYSA-N 2 1 332.448 1.989 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900229968 591957380 /nfs/dbraw/zinc/95/73/80/591957380.db2.gz WHHSEXLZVHADGP-FQEVSTJZSA-N 2 1 347.503 1.990 20 0 EDADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900229968 591957381 /nfs/dbraw/zinc/95/73/81/591957381.db2.gz WHHSEXLZVHADGP-FQEVSTJZSA-N 2 1 347.503 1.990 20 0 EDADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900229968 591957384 /nfs/dbraw/zinc/95/73/84/591957384.db2.gz WHHSEXLZVHADGP-FQEVSTJZSA-N 2 1 347.503 1.990 20 0 EDADMP C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1([NH3+])CC1 ZINC000902347231 591978169 /nfs/dbraw/zinc/97/81/69/591978169.db2.gz HPIPPNXSBMEUGV-PBHICJAKSA-N 2 1 330.476 1.353 20 0 EDADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1([NH3+])CC1 ZINC000902347231 591978171 /nfs/dbraw/zinc/97/81/71/591978171.db2.gz HPIPPNXSBMEUGV-PBHICJAKSA-N 3 1 330.476 1.353 20 0 EDADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1([NH3+])CC1 ZINC000902347231 591978172 /nfs/dbraw/zinc/97/81/72/591978172.db2.gz HPIPPNXSBMEUGV-PBHICJAKSA-N 3 1 330.476 1.353 20 0 EDADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1(N)CC1 ZINC000902347231 591978175 /nfs/dbraw/zinc/97/81/75/591978175.db2.gz HPIPPNXSBMEUGV-PBHICJAKSA-N 2 1 330.476 1.353 20 0 EDADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1(N)CC1 ZINC000902347231 591978177 /nfs/dbraw/zinc/97/81/77/591978177.db2.gz HPIPPNXSBMEUGV-PBHICJAKSA-N 2 1 330.476 1.353 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[N@H+]2CCC23CC[NH+](C)CC3)cc1 ZINC000899910792 591979322 /nfs/dbraw/zinc/97/93/22/591979322.db2.gz NBRHGLKCFCPFSA-GOSISDBHSA-N 2 1 348.487 1.785 20 0 EDADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000899927296 591984085 /nfs/dbraw/zinc/98/40/85/591984085.db2.gz OSLNDIAGMVITGR-MJGOQNOKSA-N 2 1 331.460 1.222 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000902358792 591986447 /nfs/dbraw/zinc/98/64/47/591986447.db2.gz DDYQZUWNICZJCB-QUCCMNQESA-N 2 1 331.504 1.991 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000902358792 591986450 /nfs/dbraw/zinc/98/64/50/591986450.db2.gz DDYQZUWNICZJCB-QUCCMNQESA-N 2 1 331.504 1.991 20 0 EDADMP CNc1nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cs1 ZINC000900338558 591988685 /nfs/dbraw/zinc/98/86/85/591988685.db2.gz AYAWAUFRIAQOHS-UHFFFAOYSA-N 2 1 332.433 1.584 20 0 EDADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000900419691 592013691 /nfs/dbraw/zinc/01/36/91/592013691.db2.gz VXWGUJZJLYEGRS-SQNIBIBYSA-N 2 1 335.492 1.717 20 0 EDADMP O=C([C@@H]1CC[C@H]2CCCC[NH+]21)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000900419691 592013693 /nfs/dbraw/zinc/01/36/93/592013693.db2.gz VXWGUJZJLYEGRS-SQNIBIBYSA-N 2 1 335.492 1.717 20 0 EDADMP O=C([C@@H]1CC[C@H]2CCCC[NH+]21)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000900419691 592013696 /nfs/dbraw/zinc/01/36/96/592013696.db2.gz VXWGUJZJLYEGRS-SQNIBIBYSA-N 2 1 335.492 1.717 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900429338 592016092 /nfs/dbraw/zinc/01/60/92/592016092.db2.gz PATWURJSPKMLLA-NTDBWNAOSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900429338 592016093 /nfs/dbraw/zinc/01/60/93/592016093.db2.gz PATWURJSPKMLLA-NTDBWNAOSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900429338 592016094 /nfs/dbraw/zinc/01/60/94/592016094.db2.gz PATWURJSPKMLLA-NTDBWNAOSA-N 2 1 337.508 1.697 20 0 EDADMP CC(C)OCc1noc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000902775033 592060636 /nfs/dbraw/zinc/06/06/36/592060636.db2.gz NWAJFBRNCRWPHB-YHWZYXNKSA-N 2 1 337.424 1.866 20 0 EDADMP CC(C)OCc1noc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000902775033 592060638 /nfs/dbraw/zinc/06/06/38/592060638.db2.gz NWAJFBRNCRWPHB-YHWZYXNKSA-N 2 1 337.424 1.866 20 0 EDADMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900601535 592065914 /nfs/dbraw/zinc/06/59/14/592065914.db2.gz XYNCCHJGVHLPMA-WZOJCFFYSA-N 2 1 349.519 1.963 20 0 EDADMP C[NH+](C)CCN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)C1CCCCC1 ZINC000900660897 592083893 /nfs/dbraw/zinc/08/38/93/592083893.db2.gz XOOWGXGJMDHLJS-GOSISDBHSA-N 2 1 325.497 1.556 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)C[NH+](CC)CC)C1 ZINC000900695306 592088852 /nfs/dbraw/zinc/08/88/52/592088852.db2.gz OTPOLEAETZSKIN-HUUCEWRRSA-N 2 1 327.469 1.108 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)C[NH+](CC)CC)C1 ZINC000900695306 592088854 /nfs/dbraw/zinc/08/88/54/592088854.db2.gz OTPOLEAETZSKIN-HUUCEWRRSA-N 2 1 327.469 1.108 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000900692887 592097206 /nfs/dbraw/zinc/09/72/06/592097206.db2.gz KZEDZLSSOJKIMV-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900692887 592097209 /nfs/dbraw/zinc/09/72/09/592097209.db2.gz KZEDZLSSOJKIMV-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900692887 592097211 /nfs/dbraw/zinc/09/72/11/592097211.db2.gz KZEDZLSSOJKIMV-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900692887 592097213 /nfs/dbraw/zinc/09/72/13/592097213.db2.gz KZEDZLSSOJKIMV-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900692887 592097216 /nfs/dbraw/zinc/09/72/16/592097216.db2.gz KZEDZLSSOJKIMV-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900710258 592101355 /nfs/dbraw/zinc/10/13/55/592101355.db2.gz LVKIFZXECCDUKB-SFNKJDCFSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900710258 592101357 /nfs/dbraw/zinc/10/13/57/592101357.db2.gz LVKIFZXECCDUKB-SFNKJDCFSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900710258 592101360 /nfs/dbraw/zinc/10/13/60/592101360.db2.gz LVKIFZXECCDUKB-SFNKJDCFSA-N 2 1 337.508 1.555 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)[C@H]2CCC[C@H]21 ZINC000903234891 592146295 /nfs/dbraw/zinc/14/62/95/592146295.db2.gz QVYPLESILFGZHB-BQJWPVKWSA-N 2 1 343.537 1.557 20 0 EDADMP OC1(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)CCOCC1 ZINC000903347076 592156549 /nfs/dbraw/zinc/15/65/49/592156549.db2.gz OQEJICCWCKUDDI-KRWDZBQOSA-N 2 1 338.492 1.541 20 0 EDADMP C[C@@H]1C[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)C[C@H]1CC[NH3+] ZINC000903499739 592179526 /nfs/dbraw/zinc/17/95/26/592179526.db2.gz ZKGDYJPIUVDFDZ-HUUCEWRRSA-N 2 1 345.443 1.216 20 0 EDADMP C/C=C/[C@@H](O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000900973162 592182301 /nfs/dbraw/zinc/18/23/01/592182301.db2.gz GLNYKJNUJNRFKH-SHCNBLLESA-N 2 1 337.508 1.578 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](OC)c1ccc(F)cc1)C2 ZINC000903494539 592186698 /nfs/dbraw/zinc/18/66/98/592186698.db2.gz IZOPLKCQOJGVGC-DNMXQMFDSA-N 2 1 336.407 1.726 20 0 EDADMP CO[C@H](C)c1noc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000903508904 592189426 /nfs/dbraw/zinc/18/94/26/592189426.db2.gz ZFFHNBXCBMWKKY-YUELXQCFSA-N 2 1 335.452 1.178 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000900978936 592191489 /nfs/dbraw/zinc/19/14/89/592191489.db2.gz MFDZTPAOAKEBMT-TVPLGVNVSA-N 2 1 337.508 1.747 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906647208 592231910 /nfs/dbraw/zinc/23/19/10/592231910.db2.gz POHXCCLFHHFNMZ-MRXNPFEDSA-N 2 1 338.540 1.497 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906647208 592231915 /nfs/dbraw/zinc/23/19/15/592231915.db2.gz POHXCCLFHHFNMZ-MRXNPFEDSA-N 2 1 338.540 1.497 20 0 EDADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906647208 592231920 /nfs/dbraw/zinc/23/19/20/592231920.db2.gz POHXCCLFHHFNMZ-MRXNPFEDSA-N 2 1 338.540 1.497 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[N@@H+](C)C1CC1 ZINC000906649774 592233752 /nfs/dbraw/zinc/23/37/52/592233752.db2.gz GZQKJBPABGWTEX-GFCCVEGCSA-N 2 1 332.448 1.418 20 0 EDADMP c1cc(N2CC[NH2+]CC2)oc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000904351492 592237020 /nfs/dbraw/zinc/23/70/20/592237020.db2.gz ZUZMLPKLKFIAJG-SJORKVTESA-N 3 1 332.492 1.901 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000906656496 592238445 /nfs/dbraw/zinc/23/84/45/592238445.db2.gz PUYBQIOFWFAUOE-UHFFFAOYSA-N 2 1 348.491 1.449 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906665558 592247814 /nfs/dbraw/zinc/24/78/14/592247814.db2.gz ZECRFUQGLGDOII-CZUORRHYSA-N 2 1 346.475 1.618 20 0 EDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(c3nc(-c4cnccn4)no3)C2)C1 ZINC000904386251 592248713 /nfs/dbraw/zinc/24/87/13/592248713.db2.gz UJCADUILZCYYQB-FLTUCWPJSA-N 2 1 340.431 1.617 20 0 EDADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906668206 592250110 /nfs/dbraw/zinc/25/01/10/592250110.db2.gz LCRJVTYFKAHCIF-CQSZACIVSA-N 2 1 346.475 1.762 20 0 EDADMP Cc1csc(C[C@H]2CC[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)n1 ZINC000904432616 592254475 /nfs/dbraw/zinc/25/44/75/592254475.db2.gz DFXOXZPDQOTBQH-CABCVRRESA-N 2 1 336.505 1.513 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000906675418 592256548 /nfs/dbraw/zinc/25/65/48/592256548.db2.gz WYBPZWNTXVQPSZ-SFHVURJKSA-N 2 1 338.540 1.642 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000906675418 592256551 /nfs/dbraw/zinc/25/65/51/592256551.db2.gz WYBPZWNTXVQPSZ-SFHVURJKSA-N 2 1 338.540 1.642 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000906675418 592256555 /nfs/dbraw/zinc/25/65/55/592256555.db2.gz WYBPZWNTXVQPSZ-SFHVURJKSA-N 2 1 338.540 1.642 20 0 EDADMP CCn1nc(C2CC2)cc1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000906660055 592269655 /nfs/dbraw/zinc/26/96/55/592269655.db2.gz JETMBFOEAWWQBH-OAHLLOKOSA-N 2 1 345.491 1.679 20 0 EDADMP CCn1nc(C2CC2)cc1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000906660055 592269658 /nfs/dbraw/zinc/26/96/58/592269658.db2.gz JETMBFOEAWWQBH-OAHLLOKOSA-N 2 1 345.491 1.679 20 0 EDADMP [NH3+]CCOc1cccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000904501417 592272512 /nfs/dbraw/zinc/27/25/12/592272512.db2.gz YVKMEBVGASPCQV-SJORKVTESA-N 2 1 348.447 1.087 20 0 EDADMP NC(=O)c1ccc(C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903725457 592284709 /nfs/dbraw/zinc/28/47/09/592284709.db2.gz ZVVDJUPHOUVNSX-HKUYNNGSSA-N 2 1 329.444 1.519 20 0 EDADMP O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725170 592285296 /nfs/dbraw/zinc/28/52/96/592285296.db2.gz XOHZTWCZFAIODJ-SJORKVTESA-N 2 1 335.492 1.383 20 0 EDADMP COCC[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730550 592287252 /nfs/dbraw/zinc/28/72/52/592287252.db2.gz XEIQAWNLYMEJBM-VQIMIIECSA-N 2 1 348.443 1.632 20 0 EDADMP C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C[C@H]1Cc1ccccc1 ZINC000908086659 592294903 /nfs/dbraw/zinc/29/49/03/592294903.db2.gz YOSRRFGEAXSMJF-UYAOXDASSA-N 2 1 345.487 1.219 20 0 EDADMP C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)C[C@H]1Cc1ccccc1 ZINC000908086659 592294905 /nfs/dbraw/zinc/29/49/05/592294905.db2.gz YOSRRFGEAXSMJF-UYAOXDASSA-N 2 1 345.487 1.219 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000908086659 592294907 /nfs/dbraw/zinc/29/49/07/592294907.db2.gz YOSRRFGEAXSMJF-UYAOXDASSA-N 2 1 345.487 1.219 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000908086659 592294909 /nfs/dbraw/zinc/29/49/09/592294909.db2.gz YOSRRFGEAXSMJF-UYAOXDASSA-N 2 1 345.487 1.219 20 0 EDADMP O=S(=O)(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1 ZINC000903751830 592295204 /nfs/dbraw/zinc/29/52/04/592295204.db2.gz MWIOPPNJAZUIKM-DOTOQJQBSA-N 2 1 337.489 1.892 20 0 EDADMP O=S(=O)(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1 ZINC000903751830 592295209 /nfs/dbraw/zinc/29/52/09/592295209.db2.gz MWIOPPNJAZUIKM-DOTOQJQBSA-N 2 1 337.489 1.892 20 0 EDADMP Cc1nc(CN(C)[C@H]2CC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903741690 592303377 /nfs/dbraw/zinc/30/33/77/592303377.db2.gz RLYIZXSELULUJT-HOTGVXAUSA-N 2 1 349.479 1.043 20 0 EDADMP CC[C@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1CC(F)F ZINC000903756840 592314120 /nfs/dbraw/zinc/31/41/20/592314120.db2.gz WMPQMTMEBAHYGA-GJZGRUSLSA-N 2 1 331.451 1.806 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](C[C@@H]3CCC[C@H](C(F)(F)F)O3)C2)nn1 ZINC000903778365 592319580 /nfs/dbraw/zinc/31/95/80/592319580.db2.gz LXKRIJQVCPPJGD-FRRDWIJNSA-N 2 1 333.358 1.484 20 0 EDADMP CC(=O)Nc1ccc2c(c1)C[N@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903781153 592319930 /nfs/dbraw/zinc/31/99/30/592319930.db2.gz OYNLZXTZYUBZHA-OALUTQOASA-N 2 1 329.444 1.772 20 0 EDADMP CCOC(=O)[C@@]1(F)C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]1CC ZINC000903783744 592321077 /nfs/dbraw/zinc/32/10/77/592321077.db2.gz BRSFIDVDJJXZOO-HDEZJCGLSA-N 2 1 328.428 1.368 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ncc[nH]2)C1 ZINC000901297733 592328871 /nfs/dbraw/zinc/32/88/71/592328871.db2.gz BLDJJAKMKLQYCF-UONOGXRCSA-N 2 1 334.420 1.348 20 0 EDADMP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903811061 592330802 /nfs/dbraw/zinc/33/08/02/592330802.db2.gz JBWQQQAFZJXPQQ-MRXNPFEDSA-N 2 1 333.480 1.362 20 0 EDADMP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903811061 592330807 /nfs/dbraw/zinc/33/08/07/592330807.db2.gz JBWQQQAFZJXPQQ-MRXNPFEDSA-N 2 1 333.480 1.362 20 0 EDADMP COCC[N@H+](CCc1ccccc1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903887121 592364751 /nfs/dbraw/zinc/36/47/51/592364751.db2.gz ZARRUEHHJNBOFT-SFHVURJKSA-N 2 1 343.475 1.894 20 0 EDADMP COCC[N@@H+](CCc1ccccc1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903887121 592364754 /nfs/dbraw/zinc/36/47/54/592364754.db2.gz ZARRUEHHJNBOFT-SFHVURJKSA-N 2 1 343.475 1.894 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)[C@H]2CCCc3c2cnn3C)cnn1C ZINC000903897879 592368933 /nfs/dbraw/zinc/36/89/33/592368933.db2.gz KAWOHCBCUBXOHR-YOEHRIQHSA-N 2 1 330.480 1.589 20 0 EDADMP COc1ccc(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1OC ZINC000903926023 592379148 /nfs/dbraw/zinc/37/91/48/592379148.db2.gz RGVZVUZSRIYYGN-CQSZACIVSA-N 2 1 331.420 1.510 20 0 EDADMP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC1(O)CCCC1 ZINC000905023238 592384041 /nfs/dbraw/zinc/38/40/41/592384041.db2.gz GGOQQWCYOKJPRV-LJQANCHMSA-N 2 1 348.487 1.665 20 0 EDADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903933816 592384496 /nfs/dbraw/zinc/38/44/96/592384496.db2.gz VZVQKLZVCNXNCH-ZWKOTPCHSA-N 2 1 340.475 1.913 20 0 EDADMP Cc1cc(C2([NH2+]C[C@@H](C[NH3+])Cc3cnn(C)c3C)CCOCC2)on1 ZINC000903934466 592386840 /nfs/dbraw/zinc/38/68/40/592386840.db2.gz IBIJUOHRXZRJER-OAHLLOKOSA-N 2 1 347.463 1.438 20 0 EDADMP COC(=O)c1cn([C@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)nn1 ZINC000903917521 592390869 /nfs/dbraw/zinc/39/08/69/592390869.db2.gz ZFNLHHQJGPYJNB-DKUMPPAJSA-N 2 1 333.436 1.232 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)CC2(CO)CCCC2)cn1 ZINC000905059639 592396391 /nfs/dbraw/zinc/39/63/91/592396391.db2.gz QACJEZQNDQIDGS-QGZVFWFLSA-N 2 1 344.459 1.969 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)cnn1C ZINC000903988410 592407454 /nfs/dbraw/zinc/40/74/54/592407454.db2.gz QPVHSBRUQIAOJQ-CVEARBPZSA-N 2 1 330.480 1.459 20 0 EDADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1(O)CCOCC1 ZINC000905098168 592422157 /nfs/dbraw/zinc/42/21/57/592422157.db2.gz PXTRJYRHQCYEIH-RBUKOAKNSA-N 2 1 348.487 1.043 20 0 EDADMP C[N@H+]1CC[C@H](Cc2nc(-c3ccnc(N4CC[NH+](C)CC4)c3)no2)C1 ZINC000904104061 592427030 /nfs/dbraw/zinc/42/70/30/592427030.db2.gz LCHYIHZDCODKFS-CQSZACIVSA-N 2 1 342.447 1.378 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C[C@H]2C1 ZINC000908291601 592434753 /nfs/dbraw/zinc/43/47/53/592434753.db2.gz UDTUAXBXLWXKBV-QLOLRVAOSA-N 2 1 335.492 1.288 20 0 EDADMP O[C@@H](CC[C@H](O)c1ccccc1)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000905369948 592517731 /nfs/dbraw/zinc/51/77/31/592517731.db2.gz BSWWAWCESXAYKO-FHWLQOOXSA-N 2 1 336.476 1.298 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000905399830 592521005 /nfs/dbraw/zinc/52/10/05/592521005.db2.gz JIZHMAMLUQCMGI-LJQANCHMSA-N 2 1 344.503 1.433 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000907218475 592555283 /nfs/dbraw/zinc/55/52/83/592555283.db2.gz FPEXSNMKUMEUNF-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000907218475 592555285 /nfs/dbraw/zinc/55/52/85/592555285.db2.gz FPEXSNMKUMEUNF-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000907218475 592555286 /nfs/dbraw/zinc/55/52/86/592555286.db2.gz FPEXSNMKUMEUNF-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000907218475 592555287 /nfs/dbraw/zinc/55/52/87/592555287.db2.gz FPEXSNMKUMEUNF-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CC1(n2cc(Br)cn2)CC1)C1CC1 ZINC000905588760 592583568 /nfs/dbraw/zinc/58/35/68/592583568.db2.gz YOQCTJUNZACSQV-CYBMUJFWSA-N 2 1 343.269 1.179 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(n2cc(Br)cn2)CC1)C1CC1 ZINC000905588760 592583570 /nfs/dbraw/zinc/58/35/70/592583570.db2.gz YOQCTJUNZACSQV-CYBMUJFWSA-N 2 1 343.269 1.179 20 0 EDADMP Nc1nc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)nc2ccccc12 ZINC000905701457 592614886 /nfs/dbraw/zinc/61/48/86/592614886.db2.gz ZYJJUAQGMYGGJQ-GASCZTMLSA-N 2 1 338.459 1.617 20 0 EDADMP CN1CC[NH+](CCC(C)(C)NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000907456713 592664823 /nfs/dbraw/zinc/66/48/23/592664823.db2.gz OGJMGJSGGDQTPI-IAGOWNOFSA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000907456713 592664825 /nfs/dbraw/zinc/66/48/25/592664825.db2.gz OGJMGJSGGDQTPI-IAGOWNOFSA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000907456713 592664828 /nfs/dbraw/zinc/66/48/28/592664828.db2.gz OGJMGJSGGDQTPI-IAGOWNOFSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645900 592865877 /nfs/dbraw/zinc/86/58/77/592865877.db2.gz MSWXVJWZVNQFAG-QLFBSQMISA-N 2 1 346.475 1.566 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000911162934 592943340 /nfs/dbraw/zinc/94/33/40/592943340.db2.gz UKCUTRPVDWTUTL-CABCVRRESA-N 2 1 338.496 1.001 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)CC1 ZINC000911579676 592953786 /nfs/dbraw/zinc/95/37/86/592953786.db2.gz PBANYHKHPXWWEU-DLBZAZTESA-N 2 1 338.540 1.638 20 0 EDADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911836488 593020040 /nfs/dbraw/zinc/02/00/40/593020040.db2.gz ZEVCRZCHHKAXFM-YPMHNXCESA-N 2 1 342.237 1.311 20 0 EDADMP CC[N@@H+]1[C@H](C)CN(C(=O)c2cc3c(ncnc3N(C)C)n2C)C[C@@H]1C ZINC000912024483 593048945 /nfs/dbraw/zinc/04/89/45/593048945.db2.gz PHVUZDCDUQXVDY-BETUJISGSA-N 2 1 344.463 1.589 20 0 EDADMP CCN1[C@H](C)CN(C(=O)c2cc3c(ncnc3N(C)C)n2C)C[C@@H]1C ZINC000912024483 593048946 /nfs/dbraw/zinc/04/89/46/593048946.db2.gz PHVUZDCDUQXVDY-BETUJISGSA-N 2 1 344.463 1.589 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000912462840 593096764 /nfs/dbraw/zinc/09/67/64/593096764.db2.gz BMVCJKHEQKLISZ-SFHVURJKSA-N 2 1 327.472 1.858 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000809644516 593352289 /nfs/dbraw/zinc/35/22/89/593352289.db2.gz RKTKIXUMKBCSCZ-ZDUSSCGKSA-N 2 1 340.493 1.304 20 0 EDADMP Cc1ccccc1[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000818998195 593733257 /nfs/dbraw/zinc/73/32/57/593733257.db2.gz QEPBFQZEYVDIMH-MSOLQXFVSA-N 2 1 333.476 1.561 20 0 EDADMP Cc1ccccc1[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000818998195 593733258 /nfs/dbraw/zinc/73/32/58/593733258.db2.gz QEPBFQZEYVDIMH-MSOLQXFVSA-N 2 1 333.476 1.561 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CSCCS1 ZINC000819141908 593741114 /nfs/dbraw/zinc/74/11/14/593741114.db2.gz LWQUDWFPRUDTMR-HZPDHXFCSA-N 2 1 326.531 1.918 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CSCCS1 ZINC000819141908 593741115 /nfs/dbraw/zinc/74/11/15/593741115.db2.gz LWQUDWFPRUDTMR-HZPDHXFCSA-N 2 1 326.531 1.918 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000819206160 593744182 /nfs/dbraw/zinc/74/41/82/593744182.db2.gz WEROMEBIKCSPGV-MSOLQXFVSA-N 2 1 334.460 1.755 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000819206160 593744183 /nfs/dbraw/zinc/74/41/83/593744183.db2.gz WEROMEBIKCSPGV-MSOLQXFVSA-N 2 1 334.460 1.755 20 0 EDADMP C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[NH+]1CCSCC1 ZINC000820086077 593789577 /nfs/dbraw/zinc/78/95/77/593789577.db2.gz QKEBPDFBGAQGPV-BGTYHANMSA-N 2 1 345.512 1.670 20 0 EDADMP C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[NH+]1CCSCC1 ZINC000820086077 593789578 /nfs/dbraw/zinc/78/95/78/593789578.db2.gz QKEBPDFBGAQGPV-BGTYHANMSA-N 2 1 345.512 1.670 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189631 593986358 /nfs/dbraw/zinc/98/63/58/593986358.db2.gz QQAKKFFCVBKTTO-QGZVFWFLSA-N 2 1 344.463 1.799 20 0 EDADMP CO[C@]12CCC[C@@]1(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO2 ZINC000824401194 594003221 /nfs/dbraw/zinc/00/32/21/594003221.db2.gz KLUUOHQGYVEYQL-SZMVWBNQSA-N 2 1 341.496 1.308 20 0 EDADMP CO[C@]12CCC[C@@]1(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO2 ZINC000824401194 594003222 /nfs/dbraw/zinc/00/32/22/594003222.db2.gz KLUUOHQGYVEYQL-SZMVWBNQSA-N 2 1 341.496 1.308 20 0 EDADMP Cc1ccc2n[nH]cc2c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000824400443 594003229 /nfs/dbraw/zinc/00/32/29/594003229.db2.gz ADLLVQUGPGRJIH-AWEZNQCLSA-N 2 1 331.464 1.873 20 0 EDADMP Cc1ccc2n[nH]cc2c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000824400443 594003230 /nfs/dbraw/zinc/00/32/30/594003230.db2.gz ADLLVQUGPGRJIH-AWEZNQCLSA-N 2 1 331.464 1.873 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)cc1 ZINC000824451088 594015178 /nfs/dbraw/zinc/01/51/78/594015178.db2.gz GYTCSBAWOPNIEM-KRWDZBQOSA-N 2 1 347.459 1.901 20 0 EDADMP CCOCCN1CCN(c2nc(C)cc(C)c2-c2nn[nH]n2)CC1 ZINC000821378161 594032623 /nfs/dbraw/zinc/03/26/23/594032623.db2.gz KDJKFEINAQKSOK-UHFFFAOYSA-N 2 1 331.424 1.037 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@]12CCO[C@@H]1CCCC2 ZINC000824826512 594080804 /nfs/dbraw/zinc/08/08/04/594080804.db2.gz KABXEEJOOYZCNE-LZLYRXPVSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@]12CCO[C@@H]1CCCC2 ZINC000824826512 594080805 /nfs/dbraw/zinc/08/08/05/594080805.db2.gz KABXEEJOOYZCNE-LZLYRXPVSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1cc([C@H]([NH3+])CC(=O)NCCC[NH+]2CCOCC2)cc(Cl)n1 ZINC000825808106 594251941 /nfs/dbraw/zinc/25/19/41/594251941.db2.gz OIOVAMBWORBWKI-CQSZACIVSA-N 2 1 340.855 1.272 20 0 EDADMP C[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)CC1CC[NH+](C)CC1 ZINC000826022999 594308525 /nfs/dbraw/zinc/30/85/25/594308525.db2.gz VFSWHLHPEGNOBG-UHFFFAOYSA-N 2 1 340.435 1.288 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000826038020 594313063 /nfs/dbraw/zinc/31/30/63/594313063.db2.gz GFRULXKBCLJRBN-UHFFFAOYSA-N 2 1 347.442 1.075 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCCC[NH3+])cc2)C1 ZINC000828138608 594349480 /nfs/dbraw/zinc/34/94/80/594349480.db2.gz CGRRHWYDBKQSCL-MRXNPFEDSA-N 2 1 346.475 1.842 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831264171 594594566 /nfs/dbraw/zinc/59/45/66/594594566.db2.gz WHSXFPUPTZWYJY-KRWDZBQOSA-N 2 1 339.528 1.317 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC000829449816 594615699 /nfs/dbraw/zinc/61/56/99/594615699.db2.gz HDMGLTRLOPRSGV-QGZVFWFLSA-N 2 1 333.476 1.770 20 0 EDADMP C[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841008310 594838714 /nfs/dbraw/zinc/83/87/14/594838714.db2.gz WTLCXTKAZBLGKJ-MRXNPFEDSA-N 2 1 341.459 1.501 20 0 EDADMP C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841008310 594838717 /nfs/dbraw/zinc/83/87/17/594838717.db2.gz WTLCXTKAZBLGKJ-MRXNPFEDSA-N 2 1 341.459 1.501 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000833574385 594877407 /nfs/dbraw/zinc/87/74/07/594877407.db2.gz CUCDQMKLQPNXAZ-YOEHRIQHSA-N 2 1 329.460 1.162 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000833574385 594877408 /nfs/dbraw/zinc/87/74/08/594877408.db2.gz CUCDQMKLQPNXAZ-YOEHRIQHSA-N 2 1 329.460 1.162 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000833574385 594877409 /nfs/dbraw/zinc/87/74/09/594877409.db2.gz CUCDQMKLQPNXAZ-YOEHRIQHSA-N 2 1 329.460 1.162 20 0 EDADMP C[C@]1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000841899679 594977567 /nfs/dbraw/zinc/97/75/67/594977567.db2.gz XRUNDHCDFUJPSG-WSTZPKSXSA-N 2 1 342.487 1.902 20 0 EDADMP Cc1cc([C@H]([NH3+])CC(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc(Cl)n1 ZINC000843481401 595125367 /nfs/dbraw/zinc/12/53/67/595125367.db2.gz WOMGWGOFDJFVHT-GHMZBOCLSA-N 2 1 332.782 1.499 20 0 EDADMP C[N@@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)C1CCC([NH3+])CC1 ZINC000846218004 595176665 /nfs/dbraw/zinc/17/66/65/595176665.db2.gz RMRJPBJMESXWNZ-UHFFFAOYSA-N 2 1 337.489 1.829 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000843074440 595281010 /nfs/dbraw/zinc/28/10/10/595281010.db2.gz ZTWSXGMRVPLMEG-WMLDXEAASA-N 2 1 328.403 1.825 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000844196120 595299610 /nfs/dbraw/zinc/29/96/10/595299610.db2.gz CLIHYDVMIYLIOT-MJGOQNOKSA-N 2 1 328.460 1.648 20 0 EDADMP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000844196120 595299612 /nfs/dbraw/zinc/29/96/12/595299612.db2.gz CLIHYDVMIYLIOT-MJGOQNOKSA-N 2 1 328.460 1.648 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000848518036 595401349 /nfs/dbraw/zinc/40/13/49/595401349.db2.gz GPQVQEAKMGTEQB-RHSMWYFYSA-N 2 1 326.387 1.841 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000844910375 595412236 /nfs/dbraw/zinc/41/22/36/595412236.db2.gz GUPMVHLSFGDXRG-JQHSSLGASA-N 2 1 347.459 1.412 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2ccnc2)cc1 ZINC000849064289 595476987 /nfs/dbraw/zinc/47/69/87/595476987.db2.gz MBVVMTCFCHFVJJ-QGZVFWFLSA-N 2 1 326.448 1.971 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2c(c1)C(=O)NCC2 ZINC000849081844 595479512 /nfs/dbraw/zinc/47/95/12/595479512.db2.gz FDLRZESLKLENRN-OAHLLOKOSA-N 2 1 329.448 1.071 20 0 EDADMP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000849093604 595480202 /nfs/dbraw/zinc/48/02/02/595480202.db2.gz BLJZMXXRRUEKNN-SJLPKXTDSA-N 2 1 346.475 1.523 20 0 EDADMP C[C@H]1CN(C(=[NH2+])NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000849093605 595480387 /nfs/dbraw/zinc/48/03/87/595480387.db2.gz BLJZMXXRRUEKNN-WMZOPIPTSA-N 2 1 346.475 1.523 20 0 EDADMP CC(C)[C@@H]1C[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCO1 ZINC000849115512 595484162 /nfs/dbraw/zinc/48/41/62/595484162.db2.gz WZEODCXHIPCJFE-HOTGVXAUSA-N 2 1 326.485 1.274 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000845508267 595509400 /nfs/dbraw/zinc/50/94/00/595509400.db2.gz TWNVKFPBNBJMSL-KGLIPLIRSA-N 2 1 342.484 1.042 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2C)[C@H](c2cnn(C)c2)C1 ZINC000849540944 595559052 /nfs/dbraw/zinc/55/90/52/595559052.db2.gz JWECRIAHAARKOT-SQNIBIBYSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2C)[C@H](c2cnn(C)c2)C1 ZINC000849540944 595559055 /nfs/dbraw/zinc/55/90/55/595559055.db2.gz JWECRIAHAARKOT-SQNIBIBYSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2C)[C@H](c2cnn(C)c2)C1 ZINC000849540944 595559056 /nfs/dbraw/zinc/55/90/56/595559056.db2.gz JWECRIAHAARKOT-SQNIBIBYSA-N 2 1 347.507 1.444 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849594035 595585477 /nfs/dbraw/zinc/58/54/77/595585477.db2.gz SFPSJUFHAGISEF-JQHSSLGASA-N 2 1 349.523 1.692 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849594035 595585480 /nfs/dbraw/zinc/58/54/80/595585480.db2.gz SFPSJUFHAGISEF-JQHSSLGASA-N 2 1 349.523 1.692 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849594035 595585483 /nfs/dbraw/zinc/58/54/83/595585483.db2.gz SFPSJUFHAGISEF-JQHSSLGASA-N 2 1 349.523 1.692 20 0 EDADMP CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000849594337 595585709 /nfs/dbraw/zinc/58/57/09/595585709.db2.gz WWOMLOLJKWFASG-UAGQMJEPSA-N 2 1 333.480 1.008 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000849594337 595585712 /nfs/dbraw/zinc/58/57/12/595585712.db2.gz WWOMLOLJKWFASG-UAGQMJEPSA-N 2 1 333.480 1.008 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000849594337 595585713 /nfs/dbraw/zinc/58/57/13/595585713.db2.gz WWOMLOLJKWFASG-UAGQMJEPSA-N 2 1 333.480 1.008 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC2CCC([NH+](C)C)CC2)cn1 ZINC000849603182 595589967 /nfs/dbraw/zinc/58/99/67/595589967.db2.gz CUBZPFYTPMTVLD-FOIPXRHGSA-N 2 1 347.507 1.444 20 0 EDADMP C[NH+]1CCC(NC(=S)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000853049521 595648897 /nfs/dbraw/zinc/64/88/97/595648897.db2.gz YZQOZATXBJWPLH-KRWDZBQOSA-N 2 1 332.517 1.819 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc[nH+]c(CO)c1 ZINC000858415182 595789404 /nfs/dbraw/zinc/78/94/04/595789404.db2.gz UQRPUARGSFLYAF-HNNXBMFYSA-N 2 1 327.432 1.592 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000853823837 595892337 /nfs/dbraw/zinc/89/23/37/595892337.db2.gz KXVUNENTQXJNMP-BBWFWOEESA-N 3 1 341.544 1.430 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000853823837 595892340 /nfs/dbraw/zinc/89/23/40/595892340.db2.gz KXVUNENTQXJNMP-BBWFWOEESA-N 3 1 341.544 1.430 20 0 EDADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851781653 595921211 /nfs/dbraw/zinc/92/12/11/595921211.db2.gz CHXSKKXQLFIHDV-JKSUJKDBSA-N 2 1 341.496 1.896 20 0 EDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851781653 595921214 /nfs/dbraw/zinc/92/12/14/595921214.db2.gz CHXSKKXQLFIHDV-JKSUJKDBSA-N 2 1 341.496 1.896 20 0 EDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851781653 595921215 /nfs/dbraw/zinc/92/12/15/595921215.db2.gz CHXSKKXQLFIHDV-JKSUJKDBSA-N 2 1 341.496 1.896 20 0 EDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851781653 595921217 /nfs/dbraw/zinc/92/12/17/595921217.db2.gz CHXSKKXQLFIHDV-JKSUJKDBSA-N 2 1 341.496 1.896 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000856255923 595936892 /nfs/dbraw/zinc/93/68/92/595936892.db2.gz KELWQJLAFCFXFU-YJBOKZPZSA-N 2 1 341.471 1.257 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000856255923 595936893 /nfs/dbraw/zinc/93/68/93/595936893.db2.gz KELWQJLAFCFXFU-YJBOKZPZSA-N 2 1 341.471 1.257 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000856255923 595936895 /nfs/dbraw/zinc/93/68/95/595936895.db2.gz KELWQJLAFCFXFU-YJBOKZPZSA-N 2 1 341.471 1.257 20 0 EDADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCC(=O)O1 ZINC000852038426 596017330 /nfs/dbraw/zinc/01/73/30/596017330.db2.gz DARGUJSDLMDUTK-GOSISDBHSA-N 2 1 331.460 1.442 20 0 EDADMP COC(CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)OC ZINC000852039433 596018245 /nfs/dbraw/zinc/01/82/45/596018245.db2.gz FBWSFOFEWQDKNA-LJQANCHMSA-N 2 1 347.503 1.888 20 0 EDADMP O=C1CC[C@@H](C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)O1 ZINC000852040700 596018769 /nfs/dbraw/zinc/01/87/69/596018769.db2.gz LURRIYKIJITTSP-OALUTQOASA-N 2 1 343.471 1.584 20 0 EDADMP O=C1CC[C@@H](C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)O1 ZINC000852040700 596018773 /nfs/dbraw/zinc/01/87/73/596018773.db2.gz LURRIYKIJITTSP-OALUTQOASA-N 2 1 343.471 1.584 20 0 EDADMP CCN1CC[C@H]([N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856583497 596021214 /nfs/dbraw/zinc/02/12/14/596021214.db2.gz IBZWUHAIHFWCBP-ROUUACIJSA-N 2 1 346.475 1.607 20 0 EDADMP CCN1CC[C@H]([N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856583497 596021216 /nfs/dbraw/zinc/02/12/16/596021216.db2.gz IBZWUHAIHFWCBP-ROUUACIJSA-N 2 1 346.475 1.607 20 0 EDADMP CCN1CC[C@H]([NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)C1=O ZINC000856583497 596021220 /nfs/dbraw/zinc/02/12/20/596021220.db2.gz IBZWUHAIHFWCBP-ROUUACIJSA-N 2 1 346.475 1.607 20 0 EDADMP CCN1CC[C@H]([NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)C1=O ZINC000856583497 596021223 /nfs/dbraw/zinc/02/12/23/596021223.db2.gz IBZWUHAIHFWCBP-ROUUACIJSA-N 2 1 346.475 1.607 20 0 EDADMP CCNC(=O)CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591103 596025064 /nfs/dbraw/zinc/02/50/64/596025064.db2.gz IBCRIPNWAKKCKB-QGZVFWFLSA-N 2 1 334.464 1.513 20 0 EDADMP CCNC(=O)CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856591103 596025067 /nfs/dbraw/zinc/02/50/67/596025067.db2.gz IBCRIPNWAKKCKB-QGZVFWFLSA-N 2 1 334.464 1.513 20 0 EDADMP CCNC(=O)CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856591103 596025070 /nfs/dbraw/zinc/02/50/70/596025070.db2.gz IBCRIPNWAKKCKB-QGZVFWFLSA-N 2 1 334.464 1.513 20 0 EDADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H]3CCNC3=O)C2)ccn1 ZINC000856599409 596030003 /nfs/dbraw/zinc/03/00/03/596030003.db2.gz IPDJEMJAHTURLB-SJORKVTESA-N 2 1 332.448 1.263 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H]3CCNC3=O)C2)ccn1 ZINC000856599409 596030008 /nfs/dbraw/zinc/03/00/08/596030008.db2.gz IPDJEMJAHTURLB-SJORKVTESA-N 2 1 332.448 1.263 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)ccn1 ZINC000856599409 596030013 /nfs/dbraw/zinc/03/00/13/596030013.db2.gz IPDJEMJAHTURLB-SJORKVTESA-N 2 1 332.448 1.263 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)ccn1 ZINC000856599409 596030019 /nfs/dbraw/zinc/03/00/19/596030019.db2.gz IPDJEMJAHTURLB-SJORKVTESA-N 2 1 332.448 1.263 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3c[nH]nn3)C2)ccn1 ZINC000856604882 596032512 /nfs/dbraw/zinc/03/25/12/596032512.db2.gz SVWFRURFTYCEJQ-SFHVURJKSA-N 2 1 344.463 1.736 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3c[nH]nn3)C2)ccn1 ZINC000856604882 596032516 /nfs/dbraw/zinc/03/25/16/596032516.db2.gz SVWFRURFTYCEJQ-SFHVURJKSA-N 2 1 344.463 1.736 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3c[nH]nn3)C2)ccn1 ZINC000856604882 596032521 /nfs/dbraw/zinc/03/25/21/596032521.db2.gz SVWFRURFTYCEJQ-SFHVURJKSA-N 2 1 344.463 1.736 20 0 EDADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3cn[nH]n3)C2)ccn1 ZINC000856604882 596032525 /nfs/dbraw/zinc/03/25/25/596032525.db2.gz SVWFRURFTYCEJQ-SFHVURJKSA-N 2 1 344.463 1.736 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3cn[nH]n3)C2)ccn1 ZINC000856604882 596032529 /nfs/dbraw/zinc/03/25/29/596032529.db2.gz SVWFRURFTYCEJQ-SFHVURJKSA-N 2 1 344.463 1.736 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3cn[nH]n3)C2)ccn1 ZINC000856604882 596032533 /nfs/dbraw/zinc/03/25/33/596032533.db2.gz SVWFRURFTYCEJQ-SFHVURJKSA-N 2 1 344.463 1.736 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3cn[nH]n3)C2)ccn1 ZINC000856604882 596032537 /nfs/dbraw/zinc/03/25/37/596032537.db2.gz SVWFRURFTYCEJQ-SFHVURJKSA-N 2 1 344.463 1.736 20 0 EDADMP CN(C[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000852107530 596045452 /nfs/dbraw/zinc/04/54/52/596045452.db2.gz MUNPRFCUDYTCJC-YJBOKZPZSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000852107530 596045455 /nfs/dbraw/zinc/04/54/55/596045455.db2.gz MUNPRFCUDYTCJC-YJBOKZPZSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000852107530 596045459 /nfs/dbraw/zinc/04/54/59/596045459.db2.gz MUNPRFCUDYTCJC-YJBOKZPZSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC000852107530 596045461 /nfs/dbraw/zinc/04/54/61/596045461.db2.gz MUNPRFCUDYTCJC-YJBOKZPZSA-N 2 1 341.496 1.632 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C1 ZINC000857180246 596177797 /nfs/dbraw/zinc/17/77/97/596177797.db2.gz XQKAJWZWIHZHQF-PKOBYXMFSA-N 2 1 331.460 1.292 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857180246 596177799 /nfs/dbraw/zinc/17/77/99/596177799.db2.gz XQKAJWZWIHZHQF-PKOBYXMFSA-N 2 1 331.460 1.292 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857180246 596177800 /nfs/dbraw/zinc/17/78/00/596177800.db2.gz XQKAJWZWIHZHQF-PKOBYXMFSA-N 2 1 331.460 1.292 20 0 EDADMP Cc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(Cl)n1 ZINC000852743671 596237135 /nfs/dbraw/zinc/23/71/35/596237135.db2.gz HMSCMJRBZIOHGB-HNNXBMFYSA-N 2 1 336.867 1.687 20 0 EDADMP C[C@H]1C[C@H]([NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000866527204 596242236 /nfs/dbraw/zinc/24/22/36/596242236.db2.gz WIYVWFXFNJHCQY-GOEBONIOSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@H]1C[C@H]([NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000866527204 596242240 /nfs/dbraw/zinc/24/22/40/596242240.db2.gz WIYVWFXFNJHCQY-GOEBONIOSA-N 2 1 325.497 1.865 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)C(=O)OC ZINC000866707364 596301713 /nfs/dbraw/zinc/30/17/13/596301713.db2.gz MVEBVGOUZXJTJD-YEWWUXTCSA-N 2 1 341.496 1.387 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)C(=O)OC ZINC000866707364 596301718 /nfs/dbraw/zinc/30/17/18/596301718.db2.gz MVEBVGOUZXJTJD-YEWWUXTCSA-N 2 1 341.496 1.387 20 0 EDADMP Cc1cc(C)c(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)n1 ZINC000866711774 596305125 /nfs/dbraw/zinc/30/51/25/596305125.db2.gz NHAMUVSSXPZRRC-UAGQMJEPSA-N 2 1 330.432 1.374 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CCC23CC(C2)C[NH2+]3)cn1 ZINC000870870416 596384671 /nfs/dbraw/zinc/38/46/71/596384671.db2.gz UFZUIDJDZLFQRH-UHFFFAOYSA-N 2 1 325.416 1.724 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CC[NH2+]CC1CC1 ZINC000870891927 596392720 /nfs/dbraw/zinc/39/27/20/596392720.db2.gz NAWCHAJAFOROQS-UHFFFAOYSA-N 2 1 344.503 1.657 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3CC[C@H]([NH3+])CC3)CC2)nc(C)[nH+]1 ZINC000870900784 596396125 /nfs/dbraw/zinc/39/61/25/596396125.db2.gz WRAAYCIFYIOZNP-SHTZXODSSA-N 2 1 331.464 1.696 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870919804 596404877 /nfs/dbraw/zinc/40/48/77/596404877.db2.gz HZNWMFHDVVHIJE-SMDDNHRTSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@@H](NC(=O)[C@H]([NH3+])c1ccccc1Br)C1CC[NH2+]CC1 ZINC000870984217 596429958 /nfs/dbraw/zinc/42/99/58/596429958.db2.gz KSPJVJJGNGFMIV-QMTHXVAHSA-N 2 1 340.265 1.953 20 0 EDADMP O=C(/C=C/CN1CCOCC1)NC[C@@H]1CCN1Cc1ccccc1 ZINC000869307944 596481807 /nfs/dbraw/zinc/48/18/07/596481807.db2.gz XRXUXCCBCPGJKP-UKTKYZJWSA-N 2 1 329.444 1.266 20 0 EDADMP CC(=O)NCC1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000865462306 596582811 /nfs/dbraw/zinc/58/28/11/596582811.db2.gz JNJZEBRLIBBHIH-TVPLGVNVSA-N 2 1 337.508 1.914 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000869799818 596639925 /nfs/dbraw/zinc/63/99/25/596639925.db2.gz JLZMLXKCTAVIFW-IEBWSBKVSA-N 2 1 345.487 1.593 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000869799818 596639926 /nfs/dbraw/zinc/63/99/26/596639926.db2.gz JLZMLXKCTAVIFW-IEBWSBKVSA-N 2 1 345.487 1.593 20 0 EDADMP C[C@@H](NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)C1CC[NH2+]CC1 ZINC000868005207 596651549 /nfs/dbraw/zinc/65/15/49/596651549.db2.gz JZXYJRIUISTPLX-VQIMIIECSA-N 2 1 344.503 1.479 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[C@](C)([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000868071358 596676380 /nfs/dbraw/zinc/67/63/80/596676380.db2.gz OJADNQGJWPEROU-CLCXKQKWSA-N 2 1 331.460 1.859 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)Cc1ccccc1 ZINC000868130713 596696407 /nfs/dbraw/zinc/69/64/07/596696407.db2.gz RKCRBXHOAUCAPQ-QZTJIDSGSA-N 2 1 330.476 1.854 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)Cc1ccccc1 ZINC000868130714 596696442 /nfs/dbraw/zinc/69/64/42/596696442.db2.gz RKCRBXHOAUCAPQ-ROUUACIJSA-N 2 1 330.476 1.854 20 0 EDADMP O=C1CC[C@H]([NH+]2CCN(c3cc[nH+]cc3C(F)(F)F)CC2)CCN1 ZINC000865860876 596703744 /nfs/dbraw/zinc/70/37/44/596703744.db2.gz KWFIDXGUJUCZNL-LBPRGKRZSA-N 2 1 342.365 1.891 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC000868166879 596708129 /nfs/dbraw/zinc/70/81/29/596708129.db2.gz BSAIMZRVXSUTRG-UHFFFAOYSA-N 2 1 345.491 1.697 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3n[nH]cc32)C[C@H]1C[NH+](C)C ZINC000870023913 596713881 /nfs/dbraw/zinc/71/38/81/596713881.db2.gz NZKHOEVFBGDWBK-ZIAGYGMSSA-N 2 1 329.448 1.374 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)[C@H](C)C1 ZINC000868180864 596714187 /nfs/dbraw/zinc/71/41/87/596714187.db2.gz UPNDRRXMIAHBQT-UTJXIGIESA-N 2 1 332.448 1.420 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1)Cc1ccc(F)cc1 ZINC000868335468 596790112 /nfs/dbraw/zinc/79/01/12/596790112.db2.gz DHNLPYXFEVYPDT-AEFFLSMTSA-N 2 1 348.466 1.993 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)Cc1ccc(F)cc1 ZINC000868335468 596790113 /nfs/dbraw/zinc/79/01/13/596790113.db2.gz DHNLPYXFEVYPDT-AEFFLSMTSA-N 2 1 348.466 1.993 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)C1)[C@H]1CCC[NH2+]1 ZINC000872143686 596808809 /nfs/dbraw/zinc/80/88/09/596808809.db2.gz POVMSXUDIQMUIZ-GOEBONIOSA-N 2 1 346.475 1.634 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1)[C@H]1CCC[NH2+]1 ZINC000872143686 596808810 /nfs/dbraw/zinc/80/88/10/596808810.db2.gz POVMSXUDIQMUIZ-GOEBONIOSA-N 2 1 346.475 1.634 20 0 EDADMP O[C@@]1(C[NH2+]CCOc2cccnc2)CC[N@H+](Cc2ccccc2)C1 ZINC000872202143 596833895 /nfs/dbraw/zinc/83/38/95/596833895.db2.gz VVKYLYJYZRGNKA-LJQANCHMSA-N 2 1 327.428 1.687 20 0 EDADMP O[C@@]1(C[NH2+]CCOc2cccnc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000872202143 596833899 /nfs/dbraw/zinc/83/38/99/596833899.db2.gz VVKYLYJYZRGNKA-LJQANCHMSA-N 2 1 327.428 1.687 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000872254689 596855479 /nfs/dbraw/zinc/85/54/79/596855479.db2.gz BQBMPSAHPYNTGJ-JLJPHGGASA-N 2 1 327.384 1.800 20 0 EDADMP C[N@@H+](CCCCNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)C1CC1 ZINC000875654391 596935214 /nfs/dbraw/zinc/93/52/14/596935214.db2.gz RAVDJAJETZVUDE-AWEZNQCLSA-N 2 1 326.485 1.005 20 0 EDADMP C[NH+](CCCCNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)C1CC1 ZINC000875654391 596935216 /nfs/dbraw/zinc/93/52/16/596935216.db2.gz RAVDJAJETZVUDE-AWEZNQCLSA-N 2 1 326.485 1.005 20 0 EDADMP C[NH+](CCCCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)C1CC1 ZINC000875654391 596935219 /nfs/dbraw/zinc/93/52/19/596935219.db2.gz RAVDJAJETZVUDE-AWEZNQCLSA-N 2 1 326.485 1.005 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@H]3CSC[C@@H]3C1)C[NH+]1CCC2CC1 ZINC000872720468 597044625 /nfs/dbraw/zinc/04/46/25/597044625.db2.gz QHCQSKMOHLDQMG-GRDNDAEWSA-N 2 1 337.489 1.545 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CC[C@H]3CSC[C@@H]3C1)C[NH+]1CCC2CC1 ZINC000872720468 597044626 /nfs/dbraw/zinc/04/46/26/597044626.db2.gz QHCQSKMOHLDQMG-GRDNDAEWSA-N 2 1 337.489 1.545 20 0 EDADMP COC(=O)[C@@H]1CC(=O)N(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC000872743623 597055558 /nfs/dbraw/zinc/05/55/58/597055558.db2.gz GKRAARJYVYSOBB-MRXNPFEDSA-N 2 1 339.480 1.265 20 0 EDADMP COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)nn1 ZINC000873210711 597228612 /nfs/dbraw/zinc/22/86/12/597228612.db2.gz PCUXCLDVSBLWRN-LBPRGKRZSA-N 2 1 347.444 1.219 20 0 EDADMP c1c(C[NH+]2CCN(CCc3cnccn3)CC2)sc2c1C[NH2+]CC2 ZINC000873219426 597231094 /nfs/dbraw/zinc/23/10/94/597231094.db2.gz HCSDLOQEDXHYJN-UHFFFAOYSA-N 2 1 343.500 1.544 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876556121 597239679 /nfs/dbraw/zinc/23/96/79/597239679.db2.gz IEPPTXOSWAPWQJ-LSDHHAIUSA-N 2 1 327.444 1.085 20 0 EDADMP COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000873294506 597250274 /nfs/dbraw/zinc/25/02/74/597250274.db2.gz VYQJXQVRWGGHFV-VXGBXAGGSA-N 2 1 339.461 1.739 20 0 EDADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](N)C[NH+](C)C)cc1 ZINC000876719277 597303259 /nfs/dbraw/zinc/30/32/59/597303259.db2.gz HHYAZUJDRQWTDC-YJBOKZPZSA-N 2 1 332.492 1.566 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000876721698 597304676 /nfs/dbraw/zinc/30/46/76/597304676.db2.gz WVSJLVRKXJATQB-SJORKVTESA-N 2 1 331.460 1.508 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2)CC1 ZINC000876735170 597312738 /nfs/dbraw/zinc/31/27/38/597312738.db2.gz LUMULFGHUIUVKI-FZNQNYSPSA-N 2 1 344.459 1.530 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000876759658 597325874 /nfs/dbraw/zinc/32/58/74/597325874.db2.gz PRBJZZKFZXRNQK-NJAFHUGGSA-N 2 1 332.492 1.387 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000876765902 597330294 /nfs/dbraw/zinc/33/02/94/597330294.db2.gz WMKJDVDOPZLHGA-RHBGGLPHSA-N 2 1 337.508 1.795 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876776763 597336661 /nfs/dbraw/zinc/33/66/61/597336661.db2.gz QKYDUWGGSOZNMU-ROUUACIJSA-N 2 1 332.492 1.246 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](F)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000876873356 597364987 /nfs/dbraw/zinc/36/49/87/597364987.db2.gz DKXKBRBWICIBJG-SJLPKXTDSA-N 2 1 349.450 1.677 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H](F)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000876873356 597364989 /nfs/dbraw/zinc/36/49/89/597364989.db2.gz DKXKBRBWICIBJG-SJLPKXTDSA-N 2 1 349.450 1.677 20 0 EDADMP C[C@H](NC(=O)[C@H](F)[C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876900869 597377772 /nfs/dbraw/zinc/37/77/72/597377772.db2.gz SJWWFXFWKSEPCL-LEUOFYLZSA-N 2 1 333.451 1.961 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000875369822 597402980 /nfs/dbraw/zinc/40/29/80/597402980.db2.gz OUFFSPJIEVWQIS-CVEARBPZSA-N 2 1 340.512 1.109 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000875369822 597402982 /nfs/dbraw/zinc/40/29/82/597402982.db2.gz OUFFSPJIEVWQIS-CVEARBPZSA-N 2 1 340.512 1.109 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000877229501 597469690 /nfs/dbraw/zinc/46/96/90/597469690.db2.gz NOHVQDXFYFODIZ-WSTZPKSXSA-N 2 1 343.471 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000877229501 597469692 /nfs/dbraw/zinc/46/96/92/597469692.db2.gz NOHVQDXFYFODIZ-WSTZPKSXSA-N 2 1 343.471 1.312 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000877230034 597469878 /nfs/dbraw/zinc/46/98/78/597469878.db2.gz VRPLLXUOLFDPKZ-IEBWSBKVSA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000877230034 597469879 /nfs/dbraw/zinc/46/98/79/597469879.db2.gz VRPLLXUOLFDPKZ-IEBWSBKVSA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000877231773 597470713 /nfs/dbraw/zinc/47/07/13/597470713.db2.gz SUDIMFGIZLIFHW-ROUUACIJSA-N 2 1 333.476 1.685 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000877495377 597525367 /nfs/dbraw/zinc/52/53/67/597525367.db2.gz AQKLCLSLGJVVNB-UHFFFAOYSA-N 2 1 337.489 1.642 20 0 EDADMP COC(=O)CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878028035 597570368 /nfs/dbraw/zinc/57/03/68/597570368.db2.gz ADLMNFSSKPQPNL-UHFFFAOYSA-N 2 1 347.459 1.262 20 0 EDADMP COC(=O)CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878028035 597570369 /nfs/dbraw/zinc/57/03/69/597570369.db2.gz ADLMNFSSKPQPNL-UHFFFAOYSA-N 2 1 347.459 1.262 20 0 EDADMP O[C@]1(C[NH+]2CCC(C3OCCO3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000878036830 597571195 /nfs/dbraw/zinc/57/11/95/597571195.db2.gz DYZCEWUGBGDLIG-FQEVSTJZSA-N 2 1 346.471 1.708 20 0 EDADMP O[C@]1(C[NH+]2CCC(C3OCCO3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000878036830 597571196 /nfs/dbraw/zinc/57/11/96/597571196.db2.gz DYZCEWUGBGDLIG-FQEVSTJZSA-N 2 1 346.471 1.708 20 0 EDADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878340763 597596838 /nfs/dbraw/zinc/59/68/38/597596838.db2.gz OJLYHVRIHKBCFV-CQSZACIVSA-N 2 1 339.480 1.108 20 0 EDADMP O=C1NC2(CO1)CC[NH+](C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000878405957 597600018 /nfs/dbraw/zinc/60/00/18/597600018.db2.gz MVOCFQYLZGSMMJ-IBGZPJMESA-N 2 1 345.443 1.198 20 0 EDADMP O=C1NC2(CO1)CC[NH+](C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000878405957 597600019 /nfs/dbraw/zinc/60/00/19/597600019.db2.gz MVOCFQYLZGSMMJ-IBGZPJMESA-N 2 1 345.443 1.198 20 0 EDADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000130780845 597624923 /nfs/dbraw/zinc/62/49/23/597624923.db2.gz XUZJWKRPYKYILR-LSDHHAIUSA-N 2 1 336.480 1.861 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000878544889 597629457 /nfs/dbraw/zinc/62/94/57/597629457.db2.gz AZGICPKHNQAZER-KSZLIROESA-N 2 1 337.508 1.602 20 0 EDADMP C[NH+]1CCC(NC(=O)CN2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000878573628 597639368 /nfs/dbraw/zinc/63/93/68/597639368.db2.gz KXMSYTDZGLXKAI-LJQANCHMSA-N 2 1 344.503 1.056 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000883105326 597651934 /nfs/dbraw/zinc/65/19/34/597651934.db2.gz GJCKMQNFMCZVHF-MRXNPFEDSA-N 2 1 334.464 1.520 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883135986 597663510 /nfs/dbraw/zinc/66/35/10/597663510.db2.gz RLIMHRGIPDZJLR-JKSUJKDBSA-N 2 1 343.475 1.786 20 0 EDADMP C[C@H]1CN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC[NH2+]1 ZINC000883585968 597814499 /nfs/dbraw/zinc/81/44/99/597814499.db2.gz BSGRBVBHDAADHH-YJBOKZPZSA-N 2 1 343.475 1.797 20 0 EDADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1nnnn1-c1ccccc1)CC2 ZINC000879246309 597863774 /nfs/dbraw/zinc/86/37/74/597863774.db2.gz BRZCKONIKQLPHI-UHFFFAOYSA-N 2 1 326.448 1.970 20 0 EDADMP C[C@@H]1C[NH+](CCN2CCC[C@@H]([NH2+]C3CCOCC3)C2)C[C@@H](C)O1 ZINC000880206265 597872972 /nfs/dbraw/zinc/87/29/72/597872972.db2.gz FGSSGYQEUAZGAU-JFIYKMOQSA-N 2 1 325.497 1.329 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1(C)CC(F)(F)C1 ZINC000883770131 597895226 /nfs/dbraw/zinc/89/52/26/597895226.db2.gz KSEAVVQHBGZMME-ZDUSSCGKSA-N 2 1 334.455 1.993 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1(C)CC(F)(F)C1 ZINC000883770131 597895228 /nfs/dbraw/zinc/89/52/28/597895228.db2.gz KSEAVVQHBGZMME-ZDUSSCGKSA-N 2 1 334.455 1.993 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)Nc2ccc(N3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000882392722 597955485 /nfs/dbraw/zinc/95/54/85/597955485.db2.gz ROCAELVROOKIAE-YJBOKZPZSA-N 2 1 328.460 1.861 20 0 EDADMP C[NH+]1CC[C@H](C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000882392722 597955487 /nfs/dbraw/zinc/95/54/87/597955487.db2.gz ROCAELVROOKIAE-YJBOKZPZSA-N 2 1 328.460 1.861 20 0 EDADMP C[NH+]1CC[C@H](C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000882392722 597955489 /nfs/dbraw/zinc/95/54/89/597955489.db2.gz ROCAELVROOKIAE-YJBOKZPZSA-N 2 1 328.460 1.861 20 0 EDADMP C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000884261580 598046429 /nfs/dbraw/zinc/04/64/29/598046429.db2.gz OWZZFJOBTKOMKN-JKSUJKDBSA-N 2 1 343.475 1.952 20 0 EDADMP [NH3+][C@@H](CC1CC1)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000884346541 598076610 /nfs/dbraw/zinc/07/66/10/598076610.db2.gz OWFCFBZMNKZPRE-INIZCTEOSA-N 2 1 345.491 1.710 20 0 EDADMP C[C@H]([NH3+])c1cn([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000881278507 598115883 /nfs/dbraw/zinc/11/58/83/598115883.db2.gz WVWFSGXOAJPYNW-DZKIICNBSA-N 2 1 342.447 1.250 20 0 EDADMP Cc1noc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000995013864 699973277 /nfs/dbraw/zinc/97/32/77/699973277.db2.gz JPZSBZFBUKBCHI-LSDHHAIUSA-N 2 1 347.463 1.381 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)[NH+]1CCCCC1 ZINC000914293768 695340835 /nfs/dbraw/zinc/34/08/35/695340835.db2.gz PXGDPFSYPHLHKD-PMPSAXMXSA-N 2 1 340.537 1.740 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CC3)[C@H]2C1 ZINC000992862196 695410722 /nfs/dbraw/zinc/41/07/22/695410722.db2.gz RRQNLHBIBIROSN-GBESFXJTSA-N 2 1 349.519 1.726 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](CC[C@H]3CCCCO3)C2)CC1 ZINC001031188691 695707486 /nfs/dbraw/zinc/70/74/86/695707486.db2.gz XPHRQFUZIMTRKT-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP CCc1ccc(CN2CCN(C(=O)[C@@]3(C)C[C@H](O)CN3C)CC2)cc1 ZINC000915042410 695720644 /nfs/dbraw/zinc/72/06/44/695720644.db2.gz YTETXUXVWYCAGT-AZUAARDMSA-N 2 1 345.487 1.348 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCOCC2)C1 ZINC001031236876 695938892 /nfs/dbraw/zinc/93/88/92/695938892.db2.gz MTPLGEGIGCLNBX-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCOCC2)C1 ZINC001031236876 695938893 /nfs/dbraw/zinc/93/88/93/695938893.db2.gz MTPLGEGIGCLNBX-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)o1 ZINC000993758985 696352107 /nfs/dbraw/zinc/35/21/07/696352107.db2.gz JUSFWFYSJDZUKY-DYVFJYSZSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)o1 ZINC000993758985 696352110 /nfs/dbraw/zinc/35/21/10/696352110.db2.gz JUSFWFYSJDZUKY-DYVFJYSZSA-N 2 1 334.464 1.794 20 0 EDADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CC1CCOCC1 ZINC000993760818 696353390 /nfs/dbraw/zinc/35/33/90/696353390.db2.gz NUUNOCHGAIFFBI-MAUKXSAKSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000993925977 696445958 /nfs/dbraw/zinc/44/59/58/696445958.db2.gz JAHFWZJYJCTVAD-MAUKXSAKSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1Cc1cnn(C)c1 ZINC000993925977 696445962 /nfs/dbraw/zinc/44/59/62/696445962.db2.gz JAHFWZJYJCTVAD-MAUKXSAKSA-N 2 1 347.507 1.621 20 0 EDADMP COCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994118589 696525166 /nfs/dbraw/zinc/52/51/66/696525166.db2.gz VZQVZQSZRGFZSM-RHSMWYFYSA-N 2 1 343.431 1.496 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994118589 696525168 /nfs/dbraw/zinc/52/51/68/696525168.db2.gz VZQVZQSZRGFZSM-RHSMWYFYSA-N 2 1 343.431 1.496 20 0 EDADMP C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCC[N@H+]1Cc1ccccn1 ZINC000994209607 696582747 /nfs/dbraw/zinc/58/27/47/696582747.db2.gz NQVCSQNEZWSACQ-RHSMWYFYSA-N 2 1 327.432 1.527 20 0 EDADMP C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1Cc1ccccn1 ZINC000994209607 696582749 /nfs/dbraw/zinc/58/27/49/696582749.db2.gz NQVCSQNEZWSACQ-RHSMWYFYSA-N 2 1 327.432 1.527 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994211260 696583928 /nfs/dbraw/zinc/58/39/28/696583928.db2.gz YHHAQYKGRAHSSH-YJBOKZPZSA-N 2 1 337.508 1.724 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000916362477 696655340 /nfs/dbraw/zinc/65/53/40/696655340.db2.gz SCVAWAYIBHEGPC-RRFJBIMHSA-N 2 1 328.526 1.596 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000916362477 696655342 /nfs/dbraw/zinc/65/53/42/696655342.db2.gz SCVAWAYIBHEGPC-RRFJBIMHSA-N 2 1 328.526 1.596 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000916362477 696655343 /nfs/dbraw/zinc/65/53/43/696655343.db2.gz SCVAWAYIBHEGPC-RRFJBIMHSA-N 2 1 328.526 1.596 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)[NH+](C)C1CC1 ZINC000916851834 696803058 /nfs/dbraw/zinc/80/30/58/696803058.db2.gz SCBRICSUEIZFRE-VHDGCEQUSA-N 2 1 326.510 1.348 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)[N@H+](C)C1CC1 ZINC000916851834 696803061 /nfs/dbraw/zinc/80/30/61/696803061.db2.gz SCBRICSUEIZFRE-VHDGCEQUSA-N 2 1 326.510 1.348 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)[N@@H+](C)C1CC1 ZINC000916851834 696803064 /nfs/dbraw/zinc/80/30/64/696803064.db2.gz SCBRICSUEIZFRE-VHDGCEQUSA-N 2 1 326.510 1.348 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)NC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001031437470 697101188 /nfs/dbraw/zinc/10/11/88/697101188.db2.gz CJHXBJJQKQKAJK-OAHLLOKOSA-N 2 1 331.460 1.589 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000918120193 697133594 /nfs/dbraw/zinc/13/35/94/697133594.db2.gz FPIXMXWHFNAMMF-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP CO[C@H](C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC001031584355 697279896 /nfs/dbraw/zinc/27/98/96/697279896.db2.gz BZYMXLMBGHQTMQ-QZTJIDSGSA-N 2 1 331.460 1.516 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001031584702 697280080 /nfs/dbraw/zinc/28/00/80/697280080.db2.gz IADYQRPSNPHHAS-MSOLQXFVSA-N 2 1 331.435 1.955 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000919636730 697308590 /nfs/dbraw/zinc/30/85/90/697308590.db2.gz YRPGVKAELRXCHG-IAGOWNOFSA-N 2 1 349.479 1.094 20 0 EDADMP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)sn1 ZINC001031669917 697465703 /nfs/dbraw/zinc/46/57/03/697465703.db2.gz XWIATOGZICPEPM-JKSUJKDBSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)sn1 ZINC001031669917 697465706 /nfs/dbraw/zinc/46/57/06/697465706.db2.gz XWIATOGZICPEPM-JKSUJKDBSA-N 2 1 348.516 1.874 20 0 EDADMP CCOC1CC(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001031684135 697515300 /nfs/dbraw/zinc/51/53/00/697515300.db2.gz IKYQLWLDJIGMHS-DQVOVIAYSA-N 2 1 337.508 1.580 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCc3ccns3)C2)CC[N@H+]1C ZINC001031686057 697516124 /nfs/dbraw/zinc/51/61/24/697516124.db2.gz IQQNPZXYPFDZJA-JKSUJKDBSA-N 2 1 336.505 1.464 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnc(C)cn2)C1 ZINC000995034107 700158191 /nfs/dbraw/zinc/15/81/91/700158191.db2.gz CSOJVHSTFAKSJA-JKSUJKDBSA-N 2 1 342.447 1.365 20 0 EDADMP O=C(NCC1C[NH+](CC2CC3(CCC3)C2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688476 697523575 /nfs/dbraw/zinc/52/35/75/697523575.db2.gz GEGOSCMIGGDVTC-QZTJIDSGSA-N 2 1 347.503 1.478 20 0 EDADMP C[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000921268149 697541014 /nfs/dbraw/zinc/54/10/14/697541014.db2.gz GCLHQQSNQWXIED-INIZCTEOSA-N 2 1 342.553 1.293 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C(C)(C)C[NH+](C)C ZINC000921387876 697587504 /nfs/dbraw/zinc/58/75/04/697587504.db2.gz TXYDLLKQZPIIJA-RRFJBIMHSA-N 2 1 342.553 1.842 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccns2)C1 ZINC001031713530 697733296 /nfs/dbraw/zinc/73/32/96/697733296.db2.gz BHLRQCZQCAVWQR-INIZCTEOSA-N 2 1 336.505 1.608 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCc2nc(C)no2)C1 ZINC001031715540 697737105 /nfs/dbraw/zinc/73/71/05/697737105.db2.gz VBWDTGKIQUDSDF-INIZCTEOSA-N 2 1 349.479 1.233 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cncn2C)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943334174 698150942 /nfs/dbraw/zinc/15/09/42/698150942.db2.gz LZXDWJNQDSLCFZ-YJBOKZPZSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)n2)CC1 ZINC000940110483 700224293 /nfs/dbraw/zinc/22/42/93/700224293.db2.gz ZPCIHNGJKBHCJF-MRXNPFEDSA-N 2 1 348.495 1.159 20 0 EDADMP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000940117473 700249966 /nfs/dbraw/zinc/24/99/66/700249966.db2.gz SUBJECPXKPGMOO-NVXWUHKLSA-N 2 1 347.507 1.714 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031764884 699050021 /nfs/dbraw/zinc/05/00/21/699050021.db2.gz NYDPMQMDPYVDOQ-UHFFFAOYSA-N 2 1 342.487 1.814 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766880 699066737 /nfs/dbraw/zinc/06/67/37/699066737.db2.gz NJCMMKFENBLODD-MOPGFXCFSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766880 699066740 /nfs/dbraw/zinc/06/67/40/699066740.db2.gz NJCMMKFENBLODD-MOPGFXCFSA-N 2 1 342.487 1.955 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031774467 699145748 /nfs/dbraw/zinc/14/57/48/699145748.db2.gz YYALHOSPNAXDQW-IBGZPJMESA-N 2 1 344.503 1.785 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCc1ccnn1C ZINC000939136630 699223100 /nfs/dbraw/zinc/22/31/00/699223100.db2.gz ALVCDPCFGMKZNI-DOTOQJQBSA-N 2 1 347.507 1.131 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939129554 699226834 /nfs/dbraw/zinc/22/68/34/699226834.db2.gz XTRFNCBSUMYVQE-YOEHRIQHSA-N 2 1 348.466 1.889 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)oc1C ZINC000939258207 699435851 /nfs/dbraw/zinc/43/58/51/699435851.db2.gz QLCDOPBWWPBZMQ-SUMWQHHRSA-N 2 1 348.491 1.960 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccsc1 ZINC000939317384 699507288 /nfs/dbraw/zinc/50/72/88/699507288.db2.gz VYZXYZYCUVSJHX-GDBMZVCRSA-N 2 1 337.489 1.407 20 0 EDADMP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1nncs1 ZINC000939394128 699544446 /nfs/dbraw/zinc/54/44/46/699544446.db2.gz BAYKVIGNTWXUAJ-KBPBESRZSA-N 2 1 337.493 1.207 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000939453971 699600633 /nfs/dbraw/zinc/60/06/33/699600633.db2.gz OGIXZEGEZIQPQV-DYVFJYSZSA-N 2 1 349.479 1.435 20 0 EDADMP CCc1nc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)cs1 ZINC000939550931 699700143 /nfs/dbraw/zinc/70/01/43/699700143.db2.gz QIFYTOJMRDLWBI-DZGCQCFKSA-N 2 1 348.516 1.738 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)c(C)o1 ZINC000939552285 699701991 /nfs/dbraw/zinc/70/19/91/699701991.db2.gz XEECVZYGKQBHSA-MLGOLLRUSA-N 2 1 332.448 1.324 20 0 EDADMP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000939745942 699911883 /nfs/dbraw/zinc/91/18/83/699911883.db2.gz FGPYXKJGCDXJAM-BLLLJJGKSA-N 2 1 331.420 1.379 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C)([NH2+]Cc3ccccc3)CC2)O1 ZINC000940177381 700310575 /nfs/dbraw/zinc/31/05/75/700310575.db2.gz ZLHUUKSGUBTJCN-SJLPKXTDSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C)([NH2+]Cc3ccccc3)CC2)O1 ZINC000940177381 700310577 /nfs/dbraw/zinc/31/05/77/700310577.db2.gz ZLHUUKSGUBTJCN-SJLPKXTDSA-N 2 1 345.487 1.876 20 0 EDADMP CC1([NH2+]CC2CCC2)CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000940219405 700381172 /nfs/dbraw/zinc/38/11/72/700381172.db2.gz KDKJRIFNQLIPKO-OHTSDLOESA-N 2 1 347.503 1.620 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3nncs3)CC2)C1 ZINC000940328085 700505788 /nfs/dbraw/zinc/50/57/88/700505788.db2.gz FKTVURQIBLDYPK-CYBMUJFWSA-N 2 1 337.493 1.351 20 0 EDADMP Cc1conc1C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000940426277 700620225 /nfs/dbraw/zinc/62/02/25/700620225.db2.gz MWMYNLDAUUHCJM-OAHLLOKOSA-N 2 1 334.464 1.796 20 0 EDADMP CCc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)no1 ZINC000995076552 700650957 /nfs/dbraw/zinc/65/09/57/700650957.db2.gz DFJAKBKTSQGOMB-ZFWWWQNUSA-N 2 1 349.479 1.348 20 0 EDADMP CC(C)c1noc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940461881 700665196 /nfs/dbraw/zinc/66/51/96/700665196.db2.gz PQQUNWUBKPESQX-CQSZACIVSA-N 2 1 349.479 1.615 20 0 EDADMP CC(C)c1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940461881 700665197 /nfs/dbraw/zinc/66/51/97/700665197.db2.gz PQQUNWUBKPESQX-CQSZACIVSA-N 2 1 349.479 1.615 20 0 EDADMP CC(C)c1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940461881 700665199 /nfs/dbraw/zinc/66/51/99/700665199.db2.gz PQQUNWUBKPESQX-CQSZACIVSA-N 2 1 349.479 1.615 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCOCC2)CC1(C)C ZINC000940618164 700799887 /nfs/dbraw/zinc/79/98/87/700799887.db2.gz PIKIBERVJCJUGW-DLBZAZTESA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)CC1(C)C ZINC000940618164 700799888 /nfs/dbraw/zinc/79/98/88/700799888.db2.gz PIKIBERVJCJUGW-DLBZAZTESA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)CC1(C)C ZINC000940618164 700799889 /nfs/dbraw/zinc/79/98/89/700799889.db2.gz PIKIBERVJCJUGW-DLBZAZTESA-N 2 1 337.508 1.724 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940795161 700914240 /nfs/dbraw/zinc/91/42/40/700914240.db2.gz GLJWCCRGTMAGHR-HUUCEWRRSA-N 2 1 334.464 1.624 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940795161 700914241 /nfs/dbraw/zinc/91/42/41/700914241.db2.gz GLJWCCRGTMAGHR-HUUCEWRRSA-N 2 1 334.464 1.624 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000940795680 700914634 /nfs/dbraw/zinc/91/46/34/700914634.db2.gz QQCUITWGCLMQPS-SJORKVTESA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C(C)(C)C1 ZINC000940795680 700914635 /nfs/dbraw/zinc/91/46/35/700914635.db2.gz QQCUITWGCLMQPS-SJORKVTESA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C(C)(C)C1 ZINC000940795680 700914636 /nfs/dbraw/zinc/91/46/36/700914636.db2.gz QQCUITWGCLMQPS-SJORKVTESA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940832283 700931565 /nfs/dbraw/zinc/93/15/65/700931565.db2.gz WYLCUUUYJWLDIO-ZACQAIPSSA-N 2 1 337.508 1.888 20 0 EDADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940832283 700931567 /nfs/dbraw/zinc/93/15/67/700931567.db2.gz WYLCUUUYJWLDIO-ZACQAIPSSA-N 2 1 337.508 1.888 20 0 EDADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940832283 700931568 /nfs/dbraw/zinc/93/15/68/700931568.db2.gz WYLCUUUYJWLDIO-ZACQAIPSSA-N 2 1 337.508 1.888 20 0 EDADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940832283 700931570 /nfs/dbraw/zinc/93/15/70/700931570.db2.gz WYLCUUUYJWLDIO-ZACQAIPSSA-N 2 1 337.508 1.888 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCn2cccn2)CC1(C)C ZINC000940843207 700939293 /nfs/dbraw/zinc/93/92/93/700939293.db2.gz ZEVVHTNAPHFKND-SJORKVTESA-N 2 1 347.507 1.584 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCn2cccn2)CC1(C)C ZINC000940843207 700939294 /nfs/dbraw/zinc/93/92/94/700939294.db2.gz ZEVVHTNAPHFKND-SJORKVTESA-N 2 1 347.507 1.584 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cccn2)CC1(C)C ZINC000940843207 700939295 /nfs/dbraw/zinc/93/92/95/700939295.db2.gz ZEVVHTNAPHFKND-SJORKVTESA-N 2 1 347.507 1.584 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3ncccn3)C2)C1 ZINC000995110442 700998483 /nfs/dbraw/zinc/99/84/83/700998483.db2.gz YSXBLZRZOZUZAG-CVEARBPZSA-N 2 1 345.491 1.583 20 0 EDADMP CC(C)N1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](C(C)C)CC2(C)C)C1 ZINC000940973438 701015576 /nfs/dbraw/zinc/01/55/76/701015576.db2.gz VDZKQBKJJTYTGM-CVEARBPZSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973438 701015577 /nfs/dbraw/zinc/01/55/77/701015577.db2.gz VDZKQBKJJTYTGM-CVEARBPZSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973438 701015578 /nfs/dbraw/zinc/01/55/78/701015578.db2.gz VDZKQBKJJTYTGM-CVEARBPZSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](C(C)C)CC2(C)C)C1 ZINC000940973438 701015579 /nfs/dbraw/zinc/01/55/79/701015579.db2.gz VDZKQBKJJTYTGM-CVEARBPZSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](C(C)C)CC2(C)C)C1 ZINC000940973438 701015580 /nfs/dbraw/zinc/01/55/80/701015580.db2.gz VDZKQBKJJTYTGM-CVEARBPZSA-N 2 1 325.497 1.721 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)cc1 ZINC001031919573 701048672 /nfs/dbraw/zinc/04/86/72/701048672.db2.gz DPNWELBCTMKWKW-LJQANCHMSA-N 2 1 345.487 1.652 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941080282 701142631 /nfs/dbraw/zinc/14/26/31/701142631.db2.gz WBHGCGHOVLLGCW-GDBMZVCRSA-N 2 1 325.497 1.316 20 0 EDADMP Cc1cc(CNC[C@H]2CC[C@H](NC(=O)Cc3cncn3C)C2)no1 ZINC000995171418 701695546 /nfs/dbraw/zinc/69/55/46/701695546.db2.gz VYGNJBQYRAQFMM-KBPBESRZSA-N 2 1 331.420 1.334 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)cc1F ZINC001031947563 701502905 /nfs/dbraw/zinc/50/29/05/701502905.db2.gz ICGDUVYFNLGBLX-UHFFFAOYSA-N 2 1 349.450 1.724 20 0 EDADMP Cc1ccccc1OCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976479 701962021 /nfs/dbraw/zinc/96/20/21/701962021.db2.gz MTFMUGOILIEPNZ-AEFFLSMTSA-N 2 1 345.487 1.620 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825200 702097231 /nfs/dbraw/zinc/09/72/31/702097231.db2.gz RDZCAWOEBVHPRO-ZBFHGGJFSA-N 2 1 347.463 1.046 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995826641 702099988 /nfs/dbraw/zinc/09/99/88/702099988.db2.gz RBLIWPCHVOBWIR-NFAWXSAZSA-N 2 1 335.452 1.045 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995826641 702099994 /nfs/dbraw/zinc/09/99/94/702099994.db2.gz RBLIWPCHVOBWIR-NFAWXSAZSA-N 2 1 335.452 1.045 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH2+]Cc1nccs1 ZINC000995817924 702134250 /nfs/dbraw/zinc/13/42/50/702134250.db2.gz BGHJYGPCDXQVNQ-GJZGRUSLSA-N 2 1 348.516 1.812 20 0 EDADMP Cc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cc1 ZINC001031980591 702139335 /nfs/dbraw/zinc/13/93/35/702139335.db2.gz WERAXJFASQJAJP-LPHOPBHVSA-N 2 1 329.488 1.783 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCc4c3c(F)ccc4F)C2)C1 ZINC001032182925 702153022 /nfs/dbraw/zinc/15/30/22/702153022.db2.gz WBYLXDQRZBDNPB-CXAGYDPISA-N 2 1 349.425 1.952 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCc4c3c(F)ccc4F)C2)C1 ZINC001032182925 702153030 /nfs/dbraw/zinc/15/30/30/702153030.db2.gz WBYLXDQRZBDNPB-CXAGYDPISA-N 2 1 349.425 1.952 20 0 EDADMP Cc1ccc(CCC[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032182203 702189049 /nfs/dbraw/zinc/18/90/49/702189049.db2.gz GTPBLOAHHSXTAT-LJQANCHMSA-N 2 1 329.488 1.927 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)C(C)(C)C1)C1CCC1 ZINC000995918637 702237946 /nfs/dbraw/zinc/23/79/46/702237946.db2.gz OKPMXCKPRDSMIF-NVXWUHKLSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1)C1CCC1 ZINC000995919465 702239843 /nfs/dbraw/zinc/23/98/43/702239843.db2.gz RFQPVNDHDAMSAC-QGZVFWFLSA-N 2 1 330.476 1.893 20 0 EDADMP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995916087 702276561 /nfs/dbraw/zinc/27/65/61/702276561.db2.gz IFYUWQOSHSZDSD-MRXNPFEDSA-N 2 1 333.480 1.231 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2nnc(C)s2)C(C)(C)C1)[NH+](C)C ZINC000995947082 702294498 /nfs/dbraw/zinc/29/44/98/702294498.db2.gz ITGZOTGUDWHRPV-CHWSQXEVSA-N 2 1 339.509 1.513 20 0 EDADMP CCCOc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032186043 702313950 /nfs/dbraw/zinc/31/39/50/702313950.db2.gz GUHJAFQXGVICLO-GOSISDBHSA-N 2 1 345.487 1.975 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995975807 702332699 /nfs/dbraw/zinc/33/26/99/702332699.db2.gz JOYHIMUUGVOXNP-SJORKVTESA-N 2 1 345.491 1.596 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cncn3C)C2)CC[N@H+]1C ZINC000999208178 706661699 /nfs/dbraw/zinc/66/16/99/706661699.db2.gz MCZIRYIXNMKTNX-BHYGNILZSA-N 2 1 333.480 1.231 20 0 EDADMP Cc1nonc1CN[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995973986 702359002 /nfs/dbraw/zinc/35/90/02/702359002.db2.gz GRUVFLFMSFMYHH-GJZGRUSLSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1nonc1CN[C@H]1CN(C(=O)[C@@H]2CCCCN2C)CC1(C)C ZINC000995973986 702359008 /nfs/dbraw/zinc/35/90/08/702359008.db2.gz GRUVFLFMSFMYHH-GJZGRUSLSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944170459 702414133 /nfs/dbraw/zinc/41/41/33/702414133.db2.gz UDTFXTZDYDCWAK-ZFWWWQNUSA-N 2 1 332.448 1.405 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944154123 702443881 /nfs/dbraw/zinc/44/38/81/702443881.db2.gz KCQMKXMEMDPZQP-DOTOQJQBSA-N 2 1 328.460 1.504 20 0 EDADMP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996074688 702464382 /nfs/dbraw/zinc/46/43/82/702464382.db2.gz WRIMJSLMFPNJNA-BWRBCVJASA-N 2 1 335.492 1.332 20 0 EDADMP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996074701 702464445 /nfs/dbraw/zinc/46/44/45/702464445.db2.gz WRIMJSLMFPNJNA-YJTLQXIOSA-N 2 1 335.492 1.332 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nncs3)C(C)(C)C2)CC1 ZINC000996223676 702633817 /nfs/dbraw/zinc/63/38/17/702633817.db2.gz RQHQJDKGEKNEBC-CYBMUJFWSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3cncn3C)C(C)(C)C2)C1 ZINC000996293006 702685472 /nfs/dbraw/zinc/68/54/72/702685472.db2.gz AEFCBTRPPDQPIA-ZBFHGGJFSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996301190 702693114 /nfs/dbraw/zinc/69/31/14/702693114.db2.gz RLXKVAGTUWCMGM-RDJZCZTQSA-N 2 1 330.476 1.893 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)C(C)(C)C1 ZINC000996372432 702740075 /nfs/dbraw/zinc/74/00/75/702740075.db2.gz ADDVYBXLGDIVNX-HZPDHXFCSA-N 2 1 348.491 1.870 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518233 702853827 /nfs/dbraw/zinc/85/38/27/702853827.db2.gz INVWPJGBFSYSRF-WBVHZDCISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)nn1C ZINC000996519015 702854508 /nfs/dbraw/zinc/85/45/08/702854508.db2.gz MGGIHZOTKRJKBK-NVXWUHKLSA-N 2 1 347.507 1.397 20 0 EDADMP COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996607530 702910741 /nfs/dbraw/zinc/91/07/41/702910741.db2.gz CJEGAWRGSOQJKL-GDBMZVCRSA-N 2 1 346.475 1.369 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996607606 702911021 /nfs/dbraw/zinc/91/10/21/702911021.db2.gz CZFKPJTWDMYLHJ-CJNGLKHVSA-N 2 1 334.464 1.515 20 0 EDADMP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996607652 702911275 /nfs/dbraw/zinc/91/12/75/702911275.db2.gz DJVOSJSCSMNKBK-DLBZAZTESA-N 2 1 330.476 1.668 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC000996602995 702912636 /nfs/dbraw/zinc/91/26/36/702912636.db2.gz JRULZONVFPBHNN-DLBZAZTESA-N 2 1 333.480 1.231 20 0 EDADMP O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000996617446 702924556 /nfs/dbraw/zinc/92/45/56/702924556.db2.gz AWFCSCQLYMXXGB-IAGOWNOFSA-N 2 1 349.500 1.692 20 0 EDADMP CCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996618247 702924874 /nfs/dbraw/zinc/92/48/74/702924874.db2.gz WWIMILIWFIOTQX-HOCLYGCPSA-N 2 1 348.491 1.824 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2scnc2C)C[C@H]1C ZINC000942518097 703012685 /nfs/dbraw/zinc/01/26/85/703012685.db2.gz MCHLFPHHBKLPFL-IUODEOHRSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2scnc2C)C[C@H]1C ZINC000942518097 703012688 /nfs/dbraw/zinc/01/26/88/703012688.db2.gz MCHLFPHHBKLPFL-IUODEOHRSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000996725087 703019760 /nfs/dbraw/zinc/01/97/60/703019760.db2.gz RGJXHUSKRYONPK-IUODEOHRSA-N 2 1 334.468 1.239 20 0 EDADMP Cc1ccncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000996729507 703026390 /nfs/dbraw/zinc/02/63/90/703026390.db2.gz OZSCDAUSYQOMMT-SFHVURJKSA-N 2 1 330.476 1.955 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996799736 703085787 /nfs/dbraw/zinc/08/57/87/703085787.db2.gz WTIIXPZEUWWJEE-UHFFFAOYSA-N 2 1 342.428 1.580 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596695 703111236 /nfs/dbraw/zinc/11/12/36/703111236.db2.gz DVDWSIJTJJEGDP-RHSMWYFYSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596695 703111238 /nfs/dbraw/zinc/11/12/38/703111238.db2.gz DVDWSIJTJJEGDP-RHSMWYFYSA-N 2 1 333.480 1.089 20 0 EDADMP CCc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CN(C)CCO2)c1 ZINC001032332917 703117908 /nfs/dbraw/zinc/11/79/08/703117908.db2.gz GFBGXWXKLMFMCI-FHWLQOOXSA-N 2 1 343.471 1.365 20 0 EDADMP CCc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CN(C)CCO2)c1 ZINC001032332917 703117910 /nfs/dbraw/zinc/11/79/10/703117910.db2.gz GFBGXWXKLMFMCI-FHWLQOOXSA-N 2 1 343.471 1.365 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3nonc3C)CC2)C1 ZINC000996906067 703185221 /nfs/dbraw/zinc/18/52/21/703185221.db2.gz XDAGGWSIHXIBHO-HNNXBMFYSA-N 2 1 349.479 1.581 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)o1 ZINC001032043278 703218876 /nfs/dbraw/zinc/21/88/76/703218876.db2.gz YWEALNCJSKZJIH-IRXDYDNUSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)o1 ZINC001032043278 703218879 /nfs/dbraw/zinc/21/88/79/703218879.db2.gz YWEALNCJSKZJIH-IRXDYDNUSA-N 2 1 346.475 1.856 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000942721046 703235550 /nfs/dbraw/zinc/23/55/50/703235550.db2.gz KUHNPQNSBFMVKF-CRAIPNDOSA-N 2 1 333.476 1.223 20 0 EDADMP CCn1ccc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997006365 703263569 /nfs/dbraw/zinc/26/35/69/703263569.db2.gz LMFSYLJANGNUGC-HNNXBMFYSA-N 2 1 333.480 1.325 20 0 EDADMP CC[C@@H](C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1)[NH+](C)C ZINC000997009898 703270721 /nfs/dbraw/zinc/27/07/21/703270721.db2.gz PUNLKUWHKRKWFU-AWEZNQCLSA-N 2 1 335.452 1.368 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000997013205 703273028 /nfs/dbraw/zinc/27/30/28/703273028.db2.gz ZDHRGQNYGLMJRY-DYVFJYSZSA-N 2 1 334.439 1.499 20 0 EDADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](C/C=C/Cl)CC1 ZINC000997179131 703463015 /nfs/dbraw/zinc/46/30/15/703463015.db2.gz XRPBWERRFKKWAY-CUBFUVFKSA-N 2 1 343.899 1.675 20 0 EDADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](C/C=C/Cl)CC1 ZINC000997179131 703463017 /nfs/dbraw/zinc/46/30/17/703463017.db2.gz XRPBWERRFKKWAY-CUBFUVFKSA-N 2 1 343.899 1.675 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997181982 703466961 /nfs/dbraw/zinc/46/69/61/703466961.db2.gz FJNQQZIEUTZNGF-OCCSQVGLSA-N 2 1 334.468 1.097 20 0 EDADMP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997184165 703469761 /nfs/dbraw/zinc/46/97/61/703469761.db2.gz NJHQEWNUGWJLIU-KRWDZBQOSA-N 2 1 347.507 1.422 20 0 EDADMP CC(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997273155 703534687 /nfs/dbraw/zinc/53/46/87/703534687.db2.gz XUCHUMFOMHIGJD-SJLPKXTDSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997273155 703534689 /nfs/dbraw/zinc/53/46/89/703534689.db2.gz XUCHUMFOMHIGJD-SJLPKXTDSA-N 2 1 339.524 1.968 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000997299479 703556835 /nfs/dbraw/zinc/55/68/35/703556835.db2.gz NXCZRJRNSOADGY-AAEUAGOBSA-N 2 1 337.493 1.440 20 0 EDADMP CCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC000997299915 703557100 /nfs/dbraw/zinc/55/71/00/703557100.db2.gz RIPVEEUCDLXDPN-CYBMUJFWSA-N 2 1 336.505 1.738 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCc3ccccc3)CC2)C1 ZINC000997334684 703562744 /nfs/dbraw/zinc/56/27/44/703562744.db2.gz GFNIAFKIHDRFRG-IBGZPJMESA-N 2 1 345.487 1.530 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCc3ccccc3)CC2)C1 ZINC000997334684 703562745 /nfs/dbraw/zinc/56/27/45/703562745.db2.gz GFNIAFKIHDRFRG-IBGZPJMESA-N 2 1 345.487 1.530 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000997309434 703566889 /nfs/dbraw/zinc/56/68/89/703566889.db2.gz KPUUMIFEEPEQGZ-SFHVURJKSA-N 2 1 348.491 1.713 20 0 EDADMP Cc1ncoc1C[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997359265 703589821 /nfs/dbraw/zinc/58/98/21/703589821.db2.gz HJPURBCNCJRCDO-OKILXGFUSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)no1 ZINC000997361101 703598388 /nfs/dbraw/zinc/59/83/88/703598388.db2.gz SLEHCESDAOTDCW-OKILXGFUSA-N 2 1 334.464 1.936 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)o2)CC1 ZINC000997367146 703601429 /nfs/dbraw/zinc/60/14/29/703601429.db2.gz VPNBSQXWJLWTGD-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997423628 703671548 /nfs/dbraw/zinc/67/15/48/703671548.db2.gz GPYVZNDGTYYRLK-WBVHZDCISA-N 2 1 345.491 1.453 20 0 EDADMP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000997514465 703764679 /nfs/dbraw/zinc/76/46/79/703764679.db2.gz FWBWWKWTIQKJHB-GUYCJALGSA-N 2 1 334.464 1.794 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCOCC1 ZINC001032493546 703778928 /nfs/dbraw/zinc/77/89/28/703778928.db2.gz YJWWYJDYJUECGL-GBESFXJTSA-N 2 1 349.519 1.819 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032493546 703778929 /nfs/dbraw/zinc/77/89/29/703778929.db2.gz YJWWYJDYJUECGL-GBESFXJTSA-N 2 1 349.519 1.819 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032493546 703778931 /nfs/dbraw/zinc/77/89/31/703778931.db2.gz YJWWYJDYJUECGL-GBESFXJTSA-N 2 1 349.519 1.819 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000997604604 703895072 /nfs/dbraw/zinc/89/50/72/703895072.db2.gz BNTOZYWOLOEWRN-OAHLLOKOSA-N 2 1 347.463 1.369 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000997604604 703895075 /nfs/dbraw/zinc/89/50/75/703895075.db2.gz BNTOZYWOLOEWRN-OAHLLOKOSA-N 2 1 347.463 1.369 20 0 EDADMP CCn1nncc1C[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001004205065 703944596 /nfs/dbraw/zinc/94/45/96/703944596.db2.gz YPPPBFOTEGMDEI-GJZGRUSLSA-N 2 1 348.495 1.251 20 0 EDADMP CC(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032530243 704034952 /nfs/dbraw/zinc/03/49/52/704034952.db2.gz IISRQMQGXVGLDR-JBWWOZQKSA-N 2 1 333.476 1.181 20 0 EDADMP CC(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001032530243 704034954 /nfs/dbraw/zinc/03/49/54/704034954.db2.gz IISRQMQGXVGLDR-JBWWOZQKSA-N 2 1 333.476 1.181 20 0 EDADMP CC(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032530243 704034957 /nfs/dbraw/zinc/03/49/57/704034957.db2.gz IISRQMQGXVGLDR-JBWWOZQKSA-N 2 1 333.476 1.181 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nc1 ZINC000999292897 706790232 /nfs/dbraw/zinc/79/02/32/706790232.db2.gz IGFNKFVERXTAMF-JUVOFCAFSA-N 2 1 345.491 1.594 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nc1 ZINC000999292897 706790233 /nfs/dbraw/zinc/79/02/33/706790233.db2.gz IGFNKFVERXTAMF-JUVOFCAFSA-N 2 1 345.491 1.594 20 0 EDADMP COc1ccnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC001033095128 704180824 /nfs/dbraw/zinc/18/08/24/704180824.db2.gz QYSIHMHSMXTNMM-QGPMSJSTSA-N 2 1 346.475 1.463 20 0 EDADMP COc1ccnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC001033095128 704180827 /nfs/dbraw/zinc/18/08/27/704180827.db2.gz QYSIHMHSMXTNMM-QGPMSJSTSA-N 2 1 346.475 1.463 20 0 EDADMP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001033095128 704180830 /nfs/dbraw/zinc/18/08/30/704180830.db2.gz QYSIHMHSMXTNMM-QGPMSJSTSA-N 2 1 346.475 1.463 20 0 EDADMP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001033095128 704180832 /nfs/dbraw/zinc/18/08/32/704180832.db2.gz QYSIHMHSMXTNMM-QGPMSJSTSA-N 2 1 346.475 1.463 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CCCF)CC2)C1 ZINC001004379585 704355033 /nfs/dbraw/zinc/35/50/33/704355033.db2.gz JVGTUSMRQRZQKI-IAGOWNOFSA-N 2 1 341.471 1.380 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CCCF)CC2)C1 ZINC001004379585 704355035 /nfs/dbraw/zinc/35/50/35/704355035.db2.gz JVGTUSMRQRZQKI-IAGOWNOFSA-N 2 1 341.471 1.380 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CCCF)CC2)C1 ZINC001004379585 704355037 /nfs/dbraw/zinc/35/50/37/704355037.db2.gz JVGTUSMRQRZQKI-IAGOWNOFSA-N 2 1 341.471 1.380 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CCCF)CC2)C1 ZINC001004379585 704355039 /nfs/dbraw/zinc/35/50/39/704355039.db2.gz JVGTUSMRQRZQKI-IAGOWNOFSA-N 2 1 341.471 1.380 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC000922844827 704428779 /nfs/dbraw/zinc/42/87/79/704428779.db2.gz HUTCYLYWNOLTST-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538241 704587624 /nfs/dbraw/zinc/58/76/24/704587624.db2.gz OCAPVUPGUYDPCG-NJAFHUGGSA-N 2 1 345.487 1.724 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cn(C)nn2)CC1 ZINC000997821636 704741493 /nfs/dbraw/zinc/74/14/93/704741493.db2.gz NTFSMIVGBGVYJV-QGZVFWFLSA-N 2 1 348.495 1.018 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1)C1CC1 ZINC000997829713 704748469 /nfs/dbraw/zinc/74/84/69/704748469.db2.gz BSAGQJOVYSNXMQ-OAHLLOKOSA-N 2 1 337.493 1.207 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000997863693 704770954 /nfs/dbraw/zinc/77/09/54/704770954.db2.gz FEPFRZGCDQKCFF-GOSISDBHSA-N 2 1 330.476 1.894 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000997861121 704771779 /nfs/dbraw/zinc/77/17/79/704771779.db2.gz IGEKMKLXCOGSCT-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000997866989 704772161 /nfs/dbraw/zinc/77/21/61/704772161.db2.gz YAZTXZGHCMXQGK-HNNXBMFYSA-N 2 1 336.505 1.956 20 0 EDADMP Cc1ccncc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944943655 704796430 /nfs/dbraw/zinc/79/64/30/704796430.db2.gz JHQLVCXROLNYHE-WMZOPIPTSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)Cn3ccnc3C)[C@H](C)C2)o1 ZINC000944963521 704829252 /nfs/dbraw/zinc/82/92/52/704829252.db2.gz BKLBGFXHFCKVIF-MLGOLLRUSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944963521 704829260 /nfs/dbraw/zinc/82/92/60/704829260.db2.gz BKLBGFXHFCKVIF-MLGOLLRUSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944964560 704832902 /nfs/dbraw/zinc/83/29/02/704832902.db2.gz JPKXPPYNJSHLIK-DYVFJYSZSA-N 2 1 344.463 1.260 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944964560 704832907 /nfs/dbraw/zinc/83/29/07/704832907.db2.gz JPKXPPYNJSHLIK-DYVFJYSZSA-N 2 1 344.463 1.260 20 0 EDADMP Cc1nccn1CC(=O)N[C@H]1CC[N@H+](CCC(F)(F)F)C[C@H]1C ZINC000944965642 704836640 /nfs/dbraw/zinc/83/66/40/704836640.db2.gz TVUHJLUVJRANGX-YPMHNXCESA-N 2 1 332.370 1.971 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC(F)(F)F)C[C@H]1C ZINC000944965642 704836645 /nfs/dbraw/zinc/83/66/45/704836645.db2.gz TVUHJLUVJRANGX-YPMHNXCESA-N 2 1 332.370 1.971 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC(F)(F)F)C[C@H]1C ZINC000944965642 704836650 /nfs/dbraw/zinc/83/66/50/704836650.db2.gz TVUHJLUVJRANGX-YPMHNXCESA-N 2 1 332.370 1.971 20 0 EDADMP Cc1nccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cncc(C)c2)C[C@H]1C ZINC000944966421 704838232 /nfs/dbraw/zinc/83/82/32/704838232.db2.gz ZNTIAMXMOREGOJ-CRAIPNDOSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cncc(C)c2)C[C@H]1C ZINC000944966421 704838238 /nfs/dbraw/zinc/83/82/38/704838238.db2.gz ZNTIAMXMOREGOJ-CRAIPNDOSA-N 2 1 341.459 1.922 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000997915907 704980213 /nfs/dbraw/zinc/98/02/13/704980213.db2.gz PBKXPQXGJJXALD-KRWDZBQOSA-N 2 1 348.491 1.835 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000998078243 705298800 /nfs/dbraw/zinc/29/88/00/705298800.db2.gz KHYPLIJKCMHGIA-CJNGLKHVSA-N 2 1 336.505 1.669 20 0 EDADMP CCc1nc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)no1 ZINC000998081630 705303047 /nfs/dbraw/zinc/30/30/47/705303047.db2.gz KVXXYCHHAGYKMO-CQSZACIVSA-N 2 1 349.479 1.302 20 0 EDADMP CCc1nc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)no1 ZINC000998081630 705303049 /nfs/dbraw/zinc/30/30/49/705303049.db2.gz KVXXYCHHAGYKMO-CQSZACIVSA-N 2 1 349.479 1.302 20 0 EDADMP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000998081638 705303158 /nfs/dbraw/zinc/30/31/58/705303158.db2.gz KXOVAYVNJAYXNC-OAHLLOKOSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC000998080464 705305371 /nfs/dbraw/zinc/30/53/71/705305371.db2.gz ALUYWZNZUQDAEK-KGLIPLIRSA-N 2 1 349.479 1.752 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000998082641 705310348 /nfs/dbraw/zinc/31/03/48/705310348.db2.gz RUWDLZOSZYDZSY-UONOGXRCSA-N 2 1 349.479 1.609 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3nccs3)CC2)C1 ZINC000998083090 705311709 /nfs/dbraw/zinc/31/17/09/705311709.db2.gz UQTDKWVIVGGBDA-CQSZACIVSA-N 2 1 336.505 1.813 20 0 EDADMP CCN(C(=O)[C@@H]1C[C@H]1c1cncn1C)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998126746 705384499 /nfs/dbraw/zinc/38/44/99/705384499.db2.gz PYMYOUMTAQIMDC-BZUAXINKSA-N 2 1 334.464 1.219 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(F)(F)C2)CC1 ZINC001032603114 705413401 /nfs/dbraw/zinc/41/34/01/705413401.db2.gz PNEOVTQFWQOTPF-GJZGRUSLSA-N 2 1 327.419 1.659 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](Cc2nnc(C)o2)CC1 ZINC000998191174 705499594 /nfs/dbraw/zinc/49/95/94/705499594.db2.gz TYWRLAASNGCWDA-HOTGVXAUSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCC[N@@H+](Cc2nnc(C)o2)CC1 ZINC000998191174 705499597 /nfs/dbraw/zinc/49/95/97/705499597.db2.gz TYWRLAASNGCWDA-HOTGVXAUSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](Cc2nnc(C)o2)CC1 ZINC000998191174 705499601 /nfs/dbraw/zinc/49/96/01/705499601.db2.gz TYWRLAASNGCWDA-HOTGVXAUSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](Cc2nnc(C)o2)CC1 ZINC000998191174 705499603 /nfs/dbraw/zinc/49/96/03/705499603.db2.gz TYWRLAASNGCWDA-HOTGVXAUSA-N 2 1 349.479 1.533 20 0 EDADMP Cn1ccnc1C[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998218310 705541096 /nfs/dbraw/zinc/54/10/96/705541096.db2.gz ZUNYPIJQRCMBDP-MRXNPFEDSA-N 2 1 333.480 1.090 20 0 EDADMP CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC000998317159 705738462 /nfs/dbraw/zinc/73/84/62/705738462.db2.gz SPRCKQDFUCWQGO-QWHCGFSZSA-N 2 1 332.370 1.971 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2cccs2)C1 ZINC001032627818 705741977 /nfs/dbraw/zinc/74/19/77/705741977.db2.gz JFVGWKIEXNTRTC-JYJNAYRXSA-N 2 1 333.501 1.918 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2cccs2)C1 ZINC001032627818 705741981 /nfs/dbraw/zinc/74/19/81/705741981.db2.gz JFVGWKIEXNTRTC-JYJNAYRXSA-N 2 1 333.501 1.918 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2cccs2)C1 ZINC001032627818 705741984 /nfs/dbraw/zinc/74/19/84/705741984.db2.gz JFVGWKIEXNTRTC-JYJNAYRXSA-N 2 1 333.501 1.918 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC000998547992 705983461 /nfs/dbraw/zinc/98/34/61/705983461.db2.gz FCMRQGORLKWVBE-JXQTWKCFSA-N 2 1 335.452 1.366 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC000998547992 705983466 /nfs/dbraw/zinc/98/34/66/705983466.db2.gz FCMRQGORLKWVBE-JXQTWKCFSA-N 2 1 335.452 1.366 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ncc(Cl)n2C)C1 ZINC000998548948 705984987 /nfs/dbraw/zinc/98/49/87/705984987.db2.gz JITGRNLUGJFODO-BPCQOVAHSA-N 2 1 339.871 1.247 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000998588208 706027232 /nfs/dbraw/zinc/02/72/32/706027232.db2.gz YJESNBVQPRMLIZ-JCYILVPMSA-N 2 1 335.423 1.235 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000998588208 706027235 /nfs/dbraw/zinc/02/72/35/706027235.db2.gz YJESNBVQPRMLIZ-JCYILVPMSA-N 2 1 335.423 1.235 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC000998721543 706157168 /nfs/dbraw/zinc/15/71/68/706157168.db2.gz MRRMCKHZPREVEA-NWDGAFQWSA-N 2 1 342.896 1.971 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC000998721543 706157171 /nfs/dbraw/zinc/15/71/71/706157171.db2.gz MRRMCKHZPREVEA-NWDGAFQWSA-N 2 1 342.896 1.971 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC000998721573 706157347 /nfs/dbraw/zinc/15/73/47/706157347.db2.gz MWCHDAVJRSYFRP-DGCLKSJQSA-N 2 1 342.896 1.971 20 0 EDADMP COc1ccc(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000998728038 706158146 /nfs/dbraw/zinc/15/81/46/706158146.db2.gz BCMIWDMASAWNTE-MJGOQNOKSA-N 2 1 345.487 1.913 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2nc(C3CCC3)no2)C1 ZINC000998730185 706162118 /nfs/dbraw/zinc/16/21/18/706162118.db2.gz JEUIARZIPFZYDK-LSDHHAIUSA-N 2 1 347.463 1.512 20 0 EDADMP Cc1ccc(F)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998831238 706260865 /nfs/dbraw/zinc/26/08/65/706260865.db2.gz ZVJDYEIKCWJPDL-QZTJIDSGSA-N 2 1 349.450 1.545 20 0 EDADMP Cc1ccc(F)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998831238 706260869 /nfs/dbraw/zinc/26/08/69/706260869.db2.gz ZVJDYEIKCWJPDL-QZTJIDSGSA-N 2 1 349.450 1.545 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cncn3C)C2)C1 ZINC000998898482 706326291 /nfs/dbraw/zinc/32/62/91/706326291.db2.gz LWVHDVRPQWVUGM-KLAILNCOSA-N 2 1 347.507 1.477 20 0 EDADMP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000998901272 706337850 /nfs/dbraw/zinc/33/78/50/706337850.db2.gz LWLYJWRJOPCOCI-AVVWSFFYSA-N 2 1 342.447 1.273 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC000998993978 706411478 /nfs/dbraw/zinc/41/14/78/706411478.db2.gz IGRBNUKXDAZQOK-BDVYOWHSSA-N 2 1 331.464 1.348 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000999049017 706469487 /nfs/dbraw/zinc/46/94/87/706469487.db2.gz BOMUUFMFYFTELH-UHFFFAOYSA-N 2 1 333.436 1.085 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000999126185 706550679 /nfs/dbraw/zinc/55/06/79/706550679.db2.gz LMEOIPQAVDQKMT-UHFFFAOYSA-N 2 1 330.436 1.013 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)cn1 ZINC000999372609 706887403 /nfs/dbraw/zinc/88/74/03/706887403.db2.gz CVIHXBXQVNSRLN-MRXNPFEDSA-N 2 1 331.464 1.350 20 0 EDADMP Cn1cncc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999399520 706894134 /nfs/dbraw/zinc/89/41/34/706894134.db2.gz HVUAGAAFVOBBRY-HOTGVXAUSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000999401896 706909883 /nfs/dbraw/zinc/90/98/83/706909883.db2.gz QRJSREBFEDDIIJ-IAGOWNOFSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000999401896 706909885 /nfs/dbraw/zinc/90/98/85/706909885.db2.gz QRJSREBFEDDIIJ-IAGOWNOFSA-N 2 1 345.491 1.740 20 0 EDADMP Cn1nccc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999403683 706912724 /nfs/dbraw/zinc/91/27/24/706912724.db2.gz XRRUFSMSOXIOTF-HOTGVXAUSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC000999405735 706914641 /nfs/dbraw/zinc/91/46/41/706914641.db2.gz GXJRJDOMDZJMQL-ZLPCBKJTSA-N 2 1 330.476 1.953 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999405802 706915129 /nfs/dbraw/zinc/91/51/29/706915129.db2.gz JBZUNUIRAPKLPL-IUDNXUCKSA-N 2 1 348.495 1.170 20 0 EDADMP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999406847 706916127 /nfs/dbraw/zinc/91/61/27/706916127.db2.gz SNRINFJFRSVWMU-JEYLPNPQSA-N 2 1 331.464 1.348 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999506855 707004379 /nfs/dbraw/zinc/00/43/79/707004379.db2.gz CBXHGNILFNDXDD-HOTGVXAUSA-N 2 1 333.480 1.468 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]Cc2nncs2)C1 ZINC000999508963 707006107 /nfs/dbraw/zinc/00/61/07/707006107.db2.gz MFUWRGRSDIQLST-UHFFFAOYSA-N 2 1 337.493 1.349 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC000999510125 707008215 /nfs/dbraw/zinc/00/82/15/707008215.db2.gz UOMLJGZUSBCCOX-UHFFFAOYSA-N 2 1 335.452 1.189 20 0 EDADMP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)on1 ZINC000999511859 707010554 /nfs/dbraw/zinc/01/05/54/707010554.db2.gz MYCBIBLIQBHFSZ-DZGCQCFKSA-N 2 1 336.436 1.248 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC000999572761 707078759 /nfs/dbraw/zinc/07/87/59/707078759.db2.gz FSMJUMOENQXQJU-HZPDHXFCSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC000999572761 707078762 /nfs/dbraw/zinc/07/87/62/707078762.db2.gz FSMJUMOENQXQJU-HZPDHXFCSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000999573386 707079665 /nfs/dbraw/zinc/07/96/65/707079665.db2.gz IOBFPVVHALHUIR-SJLPKXTDSA-N 2 1 347.507 1.621 20 0 EDADMP CCn1cc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC000999597535 707100124 /nfs/dbraw/zinc/10/01/24/707100124.db2.gz QCLCELZOMFQVEX-OAHLLOKOSA-N 2 1 346.479 1.007 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000999602264 707103969 /nfs/dbraw/zinc/10/39/69/707103969.db2.gz QOFXPVYCFGSSMV-UHFFFAOYSA-N 2 1 349.479 1.443 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000999696490 707221778 /nfs/dbraw/zinc/22/17/78/707221778.db2.gz CVRQLJBSVLQVKB-XGNXJENSSA-N 2 1 333.436 1.114 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccon4)C[C@H]3CC2)C1 ZINC000946779173 707238223 /nfs/dbraw/zinc/23/82/23/707238223.db2.gz IVIXSHPQGIVNNF-YESZJQIVSA-N 2 1 346.475 1.687 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccon4)C[C@H]3CC2)C1 ZINC000946779173 707238227 /nfs/dbraw/zinc/23/82/27/707238227.db2.gz IVIXSHPQGIVNNF-YESZJQIVSA-N 2 1 346.475 1.687 20 0 EDADMP COCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033254743 707243540 /nfs/dbraw/zinc/24/35/40/707243540.db2.gz GEQORALOPDFYRF-OAHLLOKOSA-N 2 1 329.404 1.060 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](C[C@H]4CCOC4)C[C@H]3CC2)C1 ZINC000946779579 707244820 /nfs/dbraw/zinc/24/48/20/707244820.db2.gz PLDPYZSPMCEPOH-ZSYWTGECSA-N 2 1 349.519 1.535 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]3CC2)C1 ZINC000946779579 707244823 /nfs/dbraw/zinc/24/48/23/707244823.db2.gz PLDPYZSPMCEPOH-ZSYWTGECSA-N 2 1 349.519 1.535 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]3CC2)C1 ZINC000946779579 707244825 /nfs/dbraw/zinc/24/48/25/707244825.db2.gz PLDPYZSPMCEPOH-ZSYWTGECSA-N 2 1 349.519 1.535 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2cncc(C)c2)C1 ZINC000999715434 707253161 /nfs/dbraw/zinc/25/31/61/707253161.db2.gz UZCXCXJXLBCGJZ-QGZVFWFLSA-N 2 1 327.432 1.676 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033265431 707288801 /nfs/dbraw/zinc/28/88/01/707288801.db2.gz HDSYGICOGCOQED-ROUUACIJSA-N 2 1 348.491 1.665 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033265431 707288803 /nfs/dbraw/zinc/28/88/03/707288803.db2.gz HDSYGICOGCOQED-ROUUACIJSA-N 2 1 348.491 1.665 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nc(C)no3)C[C@H]2CC1)[NH+](C)C ZINC000946784517 707310962 /nfs/dbraw/zinc/31/09/62/707310962.db2.gz MITWGHOBOBKNTN-XHSDSOJGSA-N 2 1 349.479 1.389 20 0 EDADMP CN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999760191 707312689 /nfs/dbraw/zinc/31/26/89/707312689.db2.gz PPIZTKUSVXQJHW-TVPLGVNVSA-N 2 1 345.491 1.028 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)on1 ZINC001033181741 707343910 /nfs/dbraw/zinc/34/39/10/707343910.db2.gz KEZYFLNZBMVSFT-INIZCTEOSA-N 2 1 346.475 1.892 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)on1 ZINC001033181741 707343912 /nfs/dbraw/zinc/34/39/12/707343912.db2.gz KEZYFLNZBMVSFT-INIZCTEOSA-N 2 1 346.475 1.892 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033182825 707357734 /nfs/dbraw/zinc/35/77/34/707357734.db2.gz RPPWQYFZDIIEHN-SFHVURJKSA-N 2 1 342.487 1.990 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033182825 707357737 /nfs/dbraw/zinc/35/77/37/707357737.db2.gz RPPWQYFZDIIEHN-SFHVURJKSA-N 2 1 342.487 1.990 20 0 EDADMP CCCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC000999838289 707409794 /nfs/dbraw/zinc/40/97/94/707409794.db2.gz VTKCIBVRJBOZOY-QQFBHYJXSA-N 2 1 348.491 1.966 20 0 EDADMP COc1ccc(CC[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000999828854 707456981 /nfs/dbraw/zinc/45/69/81/707456981.db2.gz GPARPOJRFKCYFP-AOCRQIFASA-N 2 1 345.487 1.768 20 0 EDADMP CC(C)c1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC000999832280 707463164 /nfs/dbraw/zinc/46/31/64/707463164.db2.gz RWFUTKRZOIJBNB-WLYUNCDWSA-N 2 1 334.464 1.829 20 0 EDADMP CC(C)c1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC000999832280 707463167 /nfs/dbraw/zinc/46/31/67/707463167.db2.gz RWFUTKRZOIJBNB-WLYUNCDWSA-N 2 1 334.464 1.829 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033320761 707517114 /nfs/dbraw/zinc/51/71/14/707517114.db2.gz WQIAAYDPXYLWSK-INIZCTEOSA-N 2 1 333.480 1.290 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320964 707517851 /nfs/dbraw/zinc/51/78/51/707517851.db2.gz YJBTVCYXCZJCAS-OAHLLOKOSA-N 2 1 334.464 1.890 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320964 707517854 /nfs/dbraw/zinc/51/78/54/707517854.db2.gz YJBTVCYXCZJCAS-OAHLLOKOSA-N 2 1 334.464 1.890 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCOCC2)C1 ZINC001032731268 707732286 /nfs/dbraw/zinc/73/22/86/707732286.db2.gz HBNWQVWENFDBRL-FHWLQOOXSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC2CCOCC2)C1 ZINC001032731268 707732292 /nfs/dbraw/zinc/73/22/92/707732292.db2.gz HBNWQVWENFDBRL-FHWLQOOXSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCOCC2)C1 ZINC001032731268 707732297 /nfs/dbraw/zinc/73/22/97/707732297.db2.gz HBNWQVWENFDBRL-FHWLQOOXSA-N 2 1 349.519 1.820 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001033426748 707848747 /nfs/dbraw/zinc/84/87/47/707848747.db2.gz UMVUKDCXPZPDPK-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC001033426748 707848750 /nfs/dbraw/zinc/84/87/50/707848750.db2.gz UMVUKDCXPZPDPK-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC001033426748 707848753 /nfs/dbraw/zinc/84/87/53/707848753.db2.gz UMVUKDCXPZPDPK-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001033225021 707849391 /nfs/dbraw/zinc/84/93/91/707849391.db2.gz CBTACCCAGWIRDX-IAGOWNOFSA-N 2 1 349.519 1.963 20 0 EDADMP Cc1nonc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004992291 707873133 /nfs/dbraw/zinc/87/31/33/707873133.db2.gz NURJDQTZBMYMQO-GDBMZVCRSA-N 2 1 335.452 1.333 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001033468658 707928685 /nfs/dbraw/zinc/92/86/85/707928685.db2.gz ZXKSDWIPEFNHMA-IAGOWNOFSA-N 2 1 348.491 1.966 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001033468658 707928686 /nfs/dbraw/zinc/92/86/86/707928686.db2.gz ZXKSDWIPEFNHMA-IAGOWNOFSA-N 2 1 348.491 1.966 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033468520 707928763 /nfs/dbraw/zinc/92/87/63/707928763.db2.gz YPPZQCXRYNHJQF-INIZCTEOSA-N 2 1 344.463 1.436 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033468520 707928764 /nfs/dbraw/zinc/92/87/64/707928764.db2.gz YPPZQCXRYNHJQF-INIZCTEOSA-N 2 1 344.463 1.436 20 0 EDADMP C[C@H](CN1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCC1 ZINC001032784585 707985441 /nfs/dbraw/zinc/98/54/41/707985441.db2.gz DFPUWXFHHFOAPN-NEWSRXKRSA-N 2 1 349.519 1.820 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCC1 ZINC001032784585 707985443 /nfs/dbraw/zinc/98/54/43/707985443.db2.gz DFPUWXFHHFOAPN-NEWSRXKRSA-N 2 1 349.519 1.820 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2(C3CC[NH+](C[C@H]4CCOC4)CC3)CC2)C1 ZINC001000333943 707985963 /nfs/dbraw/zinc/98/59/63/707985963.db2.gz ULNFMTZBYWZSDZ-HZPDHXFCSA-N 2 1 335.492 1.335 20 0 EDADMP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C[NH+](C)C ZINC001032800725 708083518 /nfs/dbraw/zinc/08/35/18/708083518.db2.gz WMTOTISIQAKZJA-PVAVHDDUSA-N 2 1 331.460 1.682 20 0 EDADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032801648 708084508 /nfs/dbraw/zinc/08/45/08/708084508.db2.gz IDSKKAMHQDQEJP-IRXDYDNUSA-N 2 1 335.492 1.717 20 0 EDADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032801648 708084509 /nfs/dbraw/zinc/08/45/09/708084509.db2.gz IDSKKAMHQDQEJP-IRXDYDNUSA-N 2 1 335.492 1.717 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001001759187 708282922 /nfs/dbraw/zinc/28/29/22/708282922.db2.gz HFVPBENKPAXSBH-YJBOKZPZSA-N 2 1 347.507 1.479 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001033592025 708290658 /nfs/dbraw/zinc/29/06/58/708290658.db2.gz DVIWMKOIPHYQNO-OAHLLOKOSA-N 2 1 344.459 1.681 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001033592025 708290661 /nfs/dbraw/zinc/29/06/61/708290661.db2.gz DVIWMKOIPHYQNO-OAHLLOKOSA-N 2 1 344.459 1.681 20 0 EDADMP Cc1ncc(CN2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033583603 708307535 /nfs/dbraw/zinc/30/75/35/708307535.db2.gz WEDHLGSVDAZZPP-WBVHZDCISA-N 2 1 331.464 1.160 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001033583603 708307541 /nfs/dbraw/zinc/30/75/41/708307541.db2.gz WEDHLGSVDAZZPP-WBVHZDCISA-N 2 1 331.464 1.160 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001033583603 708307543 /nfs/dbraw/zinc/30/75/43/708307543.db2.gz WEDHLGSVDAZZPP-WBVHZDCISA-N 2 1 331.464 1.160 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033583603 708307547 /nfs/dbraw/zinc/30/75/47/708307547.db2.gz WEDHLGSVDAZZPP-WBVHZDCISA-N 2 1 331.464 1.160 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033583603 708307551 /nfs/dbraw/zinc/30/75/51/708307551.db2.gz WEDHLGSVDAZZPP-WBVHZDCISA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nnc([C@H](C)[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001001794183 708308710 /nfs/dbraw/zinc/30/87/10/708308710.db2.gz CFGSYJCNPSZFRU-ZDUSSCGKSA-N 2 1 349.479 1.609 20 0 EDADMP C[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3cncc(F)c3)CC2)CC1 ZINC001001795668 708310016 /nfs/dbraw/zinc/31/00/16/708310016.db2.gz VGTBRTDHKCGSJY-UHFFFAOYSA-N 2 1 348.466 1.891 20 0 EDADMP CN(C(=O)[C@@]12CC[NH+](C1)CCC2)[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033629347 708374280 /nfs/dbraw/zinc/37/42/80/708374280.db2.gz YUCHFGQSPLUUMS-ICSRJNTNSA-N 2 1 349.519 1.822 20 0 EDADMP CN(C(=O)[C@@]12CC[N@H+](C1)CCC2)[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033629347 708374283 /nfs/dbraw/zinc/37/42/83/708374283.db2.gz YUCHFGQSPLUUMS-ICSRJNTNSA-N 2 1 349.519 1.822 20 0 EDADMP CN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033629347 708374290 /nfs/dbraw/zinc/37/42/90/708374290.db2.gz YUCHFGQSPLUUMS-ICSRJNTNSA-N 2 1 349.519 1.822 20 0 EDADMP C[C@H](c1ncccn1)[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002042279 708563260 /nfs/dbraw/zinc/56/32/60/708563260.db2.gz DRBLKFPWFUUHAK-OAHLLOKOSA-N 2 1 343.475 1.462 20 0 EDADMP Cc1ccncc1C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002121872 708635910 /nfs/dbraw/zinc/63/59/10/708635910.db2.gz WFOLYZHTKNVNTP-QGZVFWFLSA-N 2 1 330.476 1.670 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)C1 ZINC001002128796 708645151 /nfs/dbraw/zinc/64/51/51/708645151.db2.gz YMEFHDXTYGZKSK-MRXNPFEDSA-N 2 1 345.491 1.109 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)C1 ZINC001002128796 708645155 /nfs/dbraw/zinc/64/51/55/708645155.db2.gz YMEFHDXTYGZKSK-MRXNPFEDSA-N 2 1 345.491 1.109 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005385766 708827591 /nfs/dbraw/zinc/82/75/91/708827591.db2.gz VZEOXLOMOGKMCL-WBVHZDCISA-N 2 1 325.497 1.817 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033831132 708853367 /nfs/dbraw/zinc/85/33/67/708853367.db2.gz TUEOXZOHTSXDFU-OALUTQOASA-N 2 1 342.487 1.846 20 0 EDADMP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001005407747 708911315 /nfs/dbraw/zinc/91/13/15/708911315.db2.gz SEYUYKFSQQDXSZ-CXAGYDPISA-N 2 1 334.464 1.746 20 0 EDADMP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001005407747 708911318 /nfs/dbraw/zinc/91/13/18/708911318.db2.gz SEYUYKFSQQDXSZ-CXAGYDPISA-N 2 1 334.464 1.746 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001005408418 708916471 /nfs/dbraw/zinc/91/64/71/708916471.db2.gz YUPUBHVEGWAISG-DYVFJYSZSA-N 2 1 349.479 1.094 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001005408418 708916474 /nfs/dbraw/zinc/91/64/74/708916474.db2.gz YUPUBHVEGWAISG-DYVFJYSZSA-N 2 1 349.479 1.094 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001016307936 708994720 /nfs/dbraw/zinc/99/47/20/708994720.db2.gz XBJHUXTYLKKTJE-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001016307936 708994723 /nfs/dbraw/zinc/99/47/23/708994723.db2.gz XBJHUXTYLKKTJE-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001016307936 708994724 /nfs/dbraw/zinc/99/47/24/708994724.db2.gz XBJHUXTYLKKTJE-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001016307936 708994727 /nfs/dbraw/zinc/99/47/27/708994727.db2.gz XBJHUXTYLKKTJE-MSOLQXFVSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001002476771 709013606 /nfs/dbraw/zinc/01/36/06/709013606.db2.gz UBGUTSKLKHXZOL-KGLIPLIRSA-N 2 1 331.407 1.085 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033905087 709033532 /nfs/dbraw/zinc/03/35/32/709033532.db2.gz JRIQBNLHEMAETC-BNQMIIOLSA-N 2 1 339.455 1.132 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CCCF)C1 ZINC001033905087 709033535 /nfs/dbraw/zinc/03/35/35/709033535.db2.gz JRIQBNLHEMAETC-BNQMIIOLSA-N 2 1 339.455 1.132 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CCCF)C1 ZINC001033905087 709033536 /nfs/dbraw/zinc/03/35/36/709033536.db2.gz JRIQBNLHEMAETC-BNQMIIOLSA-N 2 1 339.455 1.132 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2cnnn2C)CC1 ZINC001005475023 709111456 /nfs/dbraw/zinc/11/14/56/709111456.db2.gz GHGCYPGWDFCXOF-QGZVFWFLSA-N 2 1 348.495 1.112 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2cnnn2C)CC1 ZINC001005475023 709111457 /nfs/dbraw/zinc/11/14/57/709111457.db2.gz GHGCYPGWDFCXOF-QGZVFWFLSA-N 2 1 348.495 1.112 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC001033939569 709144994 /nfs/dbraw/zinc/14/49/94/709144994.db2.gz BJQJRMSFNPXGRK-WBVHZDCISA-N 2 1 345.491 1.802 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@H](C)c2cnccn2)C1 ZINC001033939569 709144996 /nfs/dbraw/zinc/14/49/96/709144996.db2.gz BJQJRMSFNPXGRK-WBVHZDCISA-N 2 1 345.491 1.802 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001033941605 709148364 /nfs/dbraw/zinc/14/83/64/709148364.db2.gz QSQZMCRMCONYTN-WMZOPIPTSA-N 2 1 337.508 1.678 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001034015587 709231995 /nfs/dbraw/zinc/23/19/95/709231995.db2.gz IQBODODEKYKVFQ-INIZCTEOSA-N 2 1 332.448 1.502 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001034015587 709231999 /nfs/dbraw/zinc/23/19/99/709231999.db2.gz IQBODODEKYKVFQ-INIZCTEOSA-N 2 1 332.448 1.502 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001034046863 709299752 /nfs/dbraw/zinc/29/97/52/709299752.db2.gz AQIOCUVPTOLUJB-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001034046863 709299754 /nfs/dbraw/zinc/29/97/54/709299754.db2.gz AQIOCUVPTOLUJB-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001034046863 709299756 /nfs/dbraw/zinc/29/97/56/709299756.db2.gz AQIOCUVPTOLUJB-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001034046863 709299759 /nfs/dbraw/zinc/29/97/59/709299759.db2.gz AQIOCUVPTOLUJB-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP COCC[NH2+]CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702125735 709336765 /nfs/dbraw/zinc/33/67/65/709336765.db2.gz XGPIRQDDZHRTJV-PKOBYXMFSA-N 2 1 331.460 1.203 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001002793174 709401033 /nfs/dbraw/zinc/40/10/33/709401033.db2.gz WJPFGICBCXPEDC-GOSISDBHSA-N 2 1 347.507 1.416 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002802210 709416567 /nfs/dbraw/zinc/41/65/67/709416567.db2.gz LQUMTLATQSEEHW-MAUKXSAKSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002802210 709416569 /nfs/dbraw/zinc/41/65/69/709416569.db2.gz LQUMTLATQSEEHW-MAUKXSAKSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1ccccc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034149697 709421744 /nfs/dbraw/zinc/42/17/44/709421744.db2.gz ZGRXOZAOUPDCKE-RBUKOAKNSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034149697 709421745 /nfs/dbraw/zinc/42/17/45/709421745.db2.gz ZGRXOZAOUPDCKE-RBUKOAKNSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149697 709421746 /nfs/dbraw/zinc/42/17/46/709421746.db2.gz ZGRXOZAOUPDCKE-RBUKOAKNSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149697 709421747 /nfs/dbraw/zinc/42/17/47/709421747.db2.gz ZGRXOZAOUPDCKE-RBUKOAKNSA-N 2 1 345.487 1.796 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002833056 709443512 /nfs/dbraw/zinc/44/35/12/709443512.db2.gz NVQXXSKVZDYHEC-RHSMWYFYSA-N 2 1 343.475 1.460 20 0 EDADMP O=C(NC1CC[NH+](C/C=C\Cl)CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001002875781 709483091 /nfs/dbraw/zinc/48/30/91/709483091.db2.gz QZKAVCAKBHTCON-XSSAKHTASA-N 2 1 327.856 1.183 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034204274 709526063 /nfs/dbraw/zinc/52/60/63/709526063.db2.gz LHNCCWLJQAYWER-ZWKOTPCHSA-N 2 1 347.507 1.727 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCn2cccn2)C1 ZINC001034204274 709526066 /nfs/dbraw/zinc/52/60/66/709526066.db2.gz LHNCCWLJQAYWER-ZWKOTPCHSA-N 2 1 347.507 1.727 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCn2cccn2)C1 ZINC001034204274 709526069 /nfs/dbraw/zinc/52/60/69/709526069.db2.gz LHNCCWLJQAYWER-ZWKOTPCHSA-N 2 1 347.507 1.727 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034239050 709620771 /nfs/dbraw/zinc/62/07/71/709620771.db2.gz HMDBNRAYZHIZHW-ROUUACIJSA-N 2 1 347.507 1.728 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCn2cccn2)C1 ZINC001034239050 709620775 /nfs/dbraw/zinc/62/07/75/709620775.db2.gz HMDBNRAYZHIZHW-ROUUACIJSA-N 2 1 347.507 1.728 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCn2cccn2)C1 ZINC001034239050 709620777 /nfs/dbraw/zinc/62/07/77/709620777.db2.gz HMDBNRAYZHIZHW-ROUUACIJSA-N 2 1 347.507 1.728 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](C[C@@H]2CCOC2)C1)c1ccn2c[nH+]cc2c1 ZINC001034291632 709717292 /nfs/dbraw/zinc/71/72/92/709717292.db2.gz MYPQUPPXBFPGEI-DOTOQJQBSA-N 2 1 342.443 1.955 20 0 EDADMP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003010486 709780828 /nfs/dbraw/zinc/78/08/28/709780828.db2.gz HOZQIJYNLAWQGY-CVEARBPZSA-N 2 1 338.496 1.094 20 0 EDADMP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003010487 709780914 /nfs/dbraw/zinc/78/09/14/709780914.db2.gz HOZQIJYNLAWQGY-HOTGVXAUSA-N 2 1 338.496 1.094 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001003011147 709783023 /nfs/dbraw/zinc/78/30/23/709783023.db2.gz MOKCYYMXCYXVJN-GOSISDBHSA-N 2 1 347.507 1.727 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CCn3cccn3)C2)C1 ZINC001034395045 709932100 /nfs/dbraw/zinc/93/21/00/709932100.db2.gz ULDFZIRVPYVOAO-IRXDYDNUSA-N 2 1 333.480 1.196 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCn3cccn3)C2)C1 ZINC001034395045 709932104 /nfs/dbraw/zinc/93/21/04/709932104.db2.gz ULDFZIRVPYVOAO-IRXDYDNUSA-N 2 1 333.480 1.196 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCn3cccn3)C2)C1 ZINC001034395045 709932108 /nfs/dbraw/zinc/93/21/08/709932108.db2.gz ULDFZIRVPYVOAO-IRXDYDNUSA-N 2 1 333.480 1.196 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034397224 709937111 /nfs/dbraw/zinc/93/71/11/709937111.db2.gz JQBCPYNQCZVGDW-CRAIPNDOSA-N 2 1 347.507 1.684 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397224 709937115 /nfs/dbraw/zinc/93/71/15/709937115.db2.gz JQBCPYNQCZVGDW-CRAIPNDOSA-N 2 1 347.507 1.684 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397224 709937118 /nfs/dbraw/zinc/93/71/18/709937118.db2.gz JQBCPYNQCZVGDW-CRAIPNDOSA-N 2 1 347.507 1.684 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034436807 710011452 /nfs/dbraw/zinc/01/14/52/710011452.db2.gz SVCPIWBFELECPI-QGZVFWFLSA-N 2 1 335.496 1.685 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001003129467 710028018 /nfs/dbraw/zinc/02/80/18/710028018.db2.gz DMPZZKNPUNUMOG-UHFFFAOYSA-N 2 1 346.475 1.940 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001003144135 710040460 /nfs/dbraw/zinc/04/04/60/710040460.db2.gz INAFVBUYJXVWGO-AEFFLSMTSA-N 2 1 345.491 1.518 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001003144135 710040465 /nfs/dbraw/zinc/04/04/65/710040465.db2.gz INAFVBUYJXVWGO-AEFFLSMTSA-N 2 1 345.491 1.518 20 0 EDADMP Cc1nocc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034490045 710107725 /nfs/dbraw/zinc/10/77/25/710107725.db2.gz IHRCXMNYXLGKPR-RDJZCZTQSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nocc1C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490045 710107727 /nfs/dbraw/zinc/10/77/27/710107727.db2.gz IHRCXMNYXLGKPR-RDJZCZTQSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1nocc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490045 710107728 /nfs/dbraw/zinc/10/77/28/710107728.db2.gz IHRCXMNYXLGKPR-RDJZCZTQSA-N 2 1 334.464 1.796 20 0 EDADMP CO[C@@H](C[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC001034491567 710111597 /nfs/dbraw/zinc/11/15/97/710111597.db2.gz UTCDWFZOPCROGJ-ROUUACIJSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1nnsc1C[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034491710 710112419 /nfs/dbraw/zinc/11/24/19/710112419.db2.gz VXCSTCBCUDNJBU-AWEZNQCLSA-N 2 1 349.504 1.413 20 0 EDADMP Cc1nnsc1C[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034491710 710112420 /nfs/dbraw/zinc/11/24/20/710112420.db2.gz VXCSTCBCUDNJBU-AWEZNQCLSA-N 2 1 349.504 1.413 20 0 EDADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](Cc3ccns3)C2)C1 ZINC001034491828 710112932 /nfs/dbraw/zinc/11/29/32/710112932.db2.gz YBMXZFCWGRCICT-GJZGRUSLSA-N 2 1 336.505 1.956 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](Cc3ccns3)C2)C1 ZINC001034491828 710112934 /nfs/dbraw/zinc/11/29/34/710112934.db2.gz YBMXZFCWGRCICT-GJZGRUSLSA-N 2 1 336.505 1.956 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@H+](Cc3ccns3)C2)C1 ZINC001034491828 710112935 /nfs/dbraw/zinc/11/29/35/710112935.db2.gz YBMXZFCWGRCICT-GJZGRUSLSA-N 2 1 336.505 1.956 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@@H+](Cc3ccns3)C2)C1 ZINC001034491828 710112938 /nfs/dbraw/zinc/11/29/38/710112938.db2.gz YBMXZFCWGRCICT-GJZGRUSLSA-N 2 1 336.505 1.956 20 0 EDADMP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034524152 710172788 /nfs/dbraw/zinc/17/27/88/710172788.db2.gz DNERFANUYSBJKO-HOTGVXAUSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034524152 710172791 /nfs/dbraw/zinc/17/27/91/710172791.db2.gz DNERFANUYSBJKO-HOTGVXAUSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034524152 710172795 /nfs/dbraw/zinc/17/27/95/710172795.db2.gz DNERFANUYSBJKO-HOTGVXAUSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034524152 710172799 /nfs/dbraw/zinc/17/27/99/710172799.db2.gz DNERFANUYSBJKO-HOTGVXAUSA-N 2 1 331.464 1.207 20 0 EDADMP COc1cccc([C@@H](O)C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032838280 710279451 /nfs/dbraw/zinc/27/94/51/710279451.db2.gz FZJZCPWIKDQYIW-NXHRZFHOSA-N 2 1 347.459 1.013 20 0 EDADMP COc1cccc([C@@H](O)C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032838280 710279454 /nfs/dbraw/zinc/27/94/54/710279454.db2.gz FZJZCPWIKDQYIW-NXHRZFHOSA-N 2 1 347.459 1.013 20 0 EDADMP COc1cccc([C@@H](O)C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001032838280 710279457 /nfs/dbraw/zinc/27/94/57/710279457.db2.gz FZJZCPWIKDQYIW-NXHRZFHOSA-N 2 1 347.459 1.013 20 0 EDADMP COc1cccc([C@@H](O)C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001032838280 710279460 /nfs/dbraw/zinc/27/94/60/710279460.db2.gz FZJZCPWIKDQYIW-NXHRZFHOSA-N 2 1 347.459 1.013 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001003375708 710293828 /nfs/dbraw/zinc/29/38/28/710293828.db2.gz VFJPNLVVVATUHE-SFHVURJKSA-N 2 1 346.475 1.938 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nonc3C)CC2)CC[N@H+]1C ZINC001034649084 710325688 /nfs/dbraw/zinc/32/56/88/710325688.db2.gz FBFDXWOMSKDIAC-QBYUYEEZSA-N 2 1 349.479 1.625 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001034654568 710329705 /nfs/dbraw/zinc/32/97/05/710329705.db2.gz YJOYGFPCDYBSEV-BRSBDYLESA-N 2 1 335.492 1.667 20 0 EDADMP CCc1nocc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001003626718 710448613 /nfs/dbraw/zinc/44/86/13/710448613.db2.gz VSOOCKRRQYZQLQ-AWEZNQCLSA-N 2 1 334.464 1.659 20 0 EDADMP Cc1cncc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC001003636648 710457066 /nfs/dbraw/zinc/45/70/66/710457066.db2.gz XAWPTPIBAQYCLO-YJBOKZPZSA-N 2 1 330.476 1.668 20 0 EDADMP Cc1ccncc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003632785 710461361 /nfs/dbraw/zinc/46/13/61/710461361.db2.gz CISPRJDEQYDCSB-YJBOKZPZSA-N 2 1 330.476 1.668 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC001003634774 710462291 /nfs/dbraw/zinc/46/22/91/710462291.db2.gz LYFWIKLLUFAONO-XJKSGUPXSA-N 2 1 348.491 1.824 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnnn2C)CC1 ZINC001034658809 710587439 /nfs/dbraw/zinc/58/74/39/710587439.db2.gz HUWPJSXTSFQGOS-BFYDXBDKSA-N 2 1 348.495 1.207 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034673557 710611300 /nfs/dbraw/zinc/61/13/00/710611300.db2.gz CTNWBXBQIGLXHK-UMVBOHGHSA-N 2 1 337.493 1.539 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034672579 710621005 /nfs/dbraw/zinc/62/10/05/710621005.db2.gz NZHKOYRXKSQPSI-KZNAEPCWSA-N 2 1 337.508 1.914 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnnn3C)CC2)CC[N@H+]1C ZINC001034715044 710850855 /nfs/dbraw/zinc/85/08/55/710850855.db2.gz CAQRMZSRNIKCMA-VGWMRTNUSA-N 2 1 348.495 1.062 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)[nH]1 ZINC001034734831 710913425 /nfs/dbraw/zinc/91/34/25/710913425.db2.gz AFLVOYTWRSHWRG-BPLDGKMQSA-N 2 1 334.468 1.114 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001034734040 710915675 /nfs/dbraw/zinc/91/56/75/710915675.db2.gz HVGDTBUDDJUHCK-WBAXXEDZSA-N 2 1 345.491 1.644 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001034735700 710922151 /nfs/dbraw/zinc/92/21/51/710922151.db2.gz MFBOTVQFHDKBEL-BPUTZDHNSA-N 2 1 334.464 1.984 20 0 EDADMP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034737213 710949117 /nfs/dbraw/zinc/94/91/17/710949117.db2.gz HOYQJUMYYAHCPE-FPCVCCKLSA-N 2 1 348.495 1.013 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC001034738187 710952923 /nfs/dbraw/zinc/95/29/23/710952923.db2.gz QSXPTEPFLQJDMS-QBYUYEEZSA-N 2 1 348.491 1.952 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCn3cccn3)CC2)C1 ZINC001034776088 711050909 /nfs/dbraw/zinc/05/09/09/711050909.db2.gz PKYOYUFGDSSARP-ULQDDVLXSA-N 2 1 333.480 1.242 20 0 EDADMP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001034776052 711050942 /nfs/dbraw/zinc/05/09/42/711050942.db2.gz OLKANISOCWTVGO-UKMLZYKCSA-N 2 1 348.495 1.533 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccn3)CC2)C1 ZINC001034779820 711086464 /nfs/dbraw/zinc/08/64/64/711086464.db2.gz WQQSRVUHVNWTKZ-BRWVUGGUSA-N 2 1 330.476 1.940 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC001034794655 711111788 /nfs/dbraw/zinc/11/17/88/711111788.db2.gz MYNIMWSKESAMBK-SHTZXODSSA-N 2 1 347.463 1.560 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cn(C)nn2)CC1 ZINC001034797413 711131383 /nfs/dbraw/zinc/13/13/83/711131383.db2.gz ZYOMIBPSNGVQPZ-LDKKBFSKSA-N 2 1 348.495 1.205 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](CCO[C@H]3CC3(F)F)CC2)C1 ZINC001003974789 711134616 /nfs/dbraw/zinc/13/46/16/711134616.db2.gz KDGLNNRSBPKENY-HIFRSBDPSA-N 2 1 345.434 1.333 20 0 EDADMP O=C(NCc1ccc(C[NH2+]CC2CC2)cc1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001034818183 711204090 /nfs/dbraw/zinc/20/40/90/711204090.db2.gz CWDJKGWDUVCHDO-RBUKOAKNSA-N 2 1 343.471 1.666 20 0 EDADMP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC001034818998 711206592 /nfs/dbraw/zinc/20/65/92/711206592.db2.gz URZXUKJSELDRHN-QZTJIDSGSA-N 2 1 331.460 1.664 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncc(C)cn1 ZINC001034953645 711418647 /nfs/dbraw/zinc/41/86/47/711418647.db2.gz FIWQNNLHEPOSAH-SJORKVTESA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncc(C)cn1 ZINC001034953645 711418651 /nfs/dbraw/zinc/41/86/51/711418651.db2.gz FIWQNNLHEPOSAH-SJORKVTESA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccn(CC)n1 ZINC001034954396 711420233 /nfs/dbraw/zinc/42/02/33/711420233.db2.gz PGGDLQHKVKFLHS-QZTJIDSGSA-N 2 1 347.507 1.858 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncccn1 ZINC001034954411 711420333 /nfs/dbraw/zinc/42/03/33/711420333.db2.gz PTXFCYHZNXYKRV-CVEARBPZSA-N 2 1 331.464 1.432 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncccn1 ZINC001034954411 711420336 /nfs/dbraw/zinc/42/03/36/711420336.db2.gz PTXFCYHZNXYKRV-CVEARBPZSA-N 2 1 331.464 1.432 20 0 EDADMP Cc1noc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001034957900 711430437 /nfs/dbraw/zinc/43/04/37/711430437.db2.gz OLJZFMSLFJDORU-MRXNPFEDSA-N 2 1 334.464 1.856 20 0 EDADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001034959319 711433896 /nfs/dbraw/zinc/43/38/96/711433896.db2.gz XBFKFGXTOCYMHW-IAGOWNOFSA-N 2 1 333.480 1.194 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc3cnccn13)C2 ZINC000922385810 711445352 /nfs/dbraw/zinc/44/53/52/711445352.db2.gz AWHYCCRSLAGMLA-XYVMCAHJSA-N 2 1 329.448 1.299 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc3c(cnn3C)c1)C2 ZINC000922390098 711452642 /nfs/dbraw/zinc/45/26/42/711452642.db2.gz KOUQVBYMVIRFCR-YWTNHNAXSA-N 2 1 343.475 1.538 20 0 EDADMP COC(=O)c1cc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cn1C ZINC000922391127 711455569 /nfs/dbraw/zinc/45/55/69/711455569.db2.gz SOHRFBVQURCNIW-VYCZESIESA-N 2 1 349.475 1.381 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc4cnccn34)C2)[C@@H]1C(C)C ZINC000922392117 711457236 /nfs/dbraw/zinc/45/72/36/711457236.db2.gz BMRGSDLTNJIKAM-FPAYPSAMSA-N 2 1 343.475 1.689 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(N(C)C)n3C)C2)[C@H]1C(C)C ZINC000922392738 711458237 /nfs/dbraw/zinc/45/82/37/711458237.db2.gz GVJPFPJUUBRXCX-YWTNHNAXSA-N 2 1 349.523 1.446 20 0 EDADMP COCc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001004143037 711542978 /nfs/dbraw/zinc/54/29/78/711542978.db2.gz KZUQSEGTZFTVDF-SFHVURJKSA-N 2 1 345.487 1.865 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001004150385 711565748 /nfs/dbraw/zinc/56/57/48/711565748.db2.gz SAJVCOWFQJACFS-MRXNPFEDSA-N 2 1 333.480 1.032 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2cncc(C)c2)CC1 ZINC001004152442 711570987 /nfs/dbraw/zinc/57/09/87/711570987.db2.gz RUYIFCBOGGRDIX-UHFFFAOYSA-N 2 1 327.432 1.676 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001004187052 711639219 /nfs/dbraw/zinc/63/92/19/711639219.db2.gz YJYAGYZSQXRKAA-MRXNPFEDSA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001004187052 711639222 /nfs/dbraw/zinc/63/92/22/711639222.db2.gz YJYAGYZSQXRKAA-MRXNPFEDSA-N 2 1 325.497 1.724 20 0 EDADMP CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033124429 711870767 /nfs/dbraw/zinc/87/07/67/711870767.db2.gz XEFNWSBOLHXUSN-UKRRQHHQSA-N 2 1 339.505 1.991 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033124429 711870769 /nfs/dbraw/zinc/87/07/69/711870769.db2.gz XEFNWSBOLHXUSN-UKRRQHHQSA-N 2 1 339.505 1.991 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033140774 711940305 /nfs/dbraw/zinc/94/03/05/711940305.db2.gz JIRJINQFPPSTPL-ROUUACIJSA-N 2 1 335.492 1.573 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033140774 711940307 /nfs/dbraw/zinc/94/03/07/711940307.db2.gz JIRJINQFPPSTPL-ROUUACIJSA-N 2 1 335.492 1.573 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033140774 711940308 /nfs/dbraw/zinc/94/03/08/711940308.db2.gz JIRJINQFPPSTPL-ROUUACIJSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([C@H]3CCC[NH+]3CCCO)CC2)C1 ZINC001004547159 711957623 /nfs/dbraw/zinc/95/76/23/711957623.db2.gz MDEWEQAGGOCATC-SJLPKXTDSA-N 2 1 337.508 1.414 20 0 EDADMP C[NH+](C)CCN1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000377576670 282100293 /nfs/dbraw/zinc/10/02/93/282100293.db2.gz FQUXBRKBMVTYER-SFHVURJKSA-N 2 1 332.492 1.385 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C1)C2 ZINC000346277525 282178277 /nfs/dbraw/zinc/17/82/77/282178277.db2.gz UHPMTILJEIBTQD-JSSFPYSZSA-N 2 1 330.476 1.943 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C1)C2 ZINC000346277525 282178278 /nfs/dbraw/zinc/17/82/78/282178278.db2.gz UHPMTILJEIBTQD-JSSFPYSZSA-N 2 1 330.476 1.943 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)C(F)(F)F)cn2)CC1 ZINC000558680592 306243662 /nfs/dbraw/zinc/24/36/62/306243662.db2.gz PFRJSHJNFTYMDU-UHFFFAOYSA-N 2 1 331.386 1.907 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000183967818 529799612 /nfs/dbraw/zinc/79/96/12/529799612.db2.gz GGJPXCXYONYVCG-QZTJIDSGSA-N 2 1 346.475 1.645 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000183578618 529799680 /nfs/dbraw/zinc/79/96/80/529799680.db2.gz TUYNOPRCFHRHKC-AWEZNQCLSA-N 2 1 332.448 1.378 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000436126286 539569577 /nfs/dbraw/zinc/56/95/77/539569577.db2.gz QPFUROFYESLETD-GJZGRUSLSA-N 2 1 328.501 1.203 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000333888836 539657993 /nfs/dbraw/zinc/65/79/93/539657993.db2.gz XTEYXYKCJSFKNY-YJBOKZPZSA-N 2 1 338.496 1.271 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000154814537 539901725 /nfs/dbraw/zinc/90/17/25/539901725.db2.gz PRDHQFXZCWZYEI-AWEZNQCLSA-N 2 1 330.436 1.424 20 0 EDADMP O=C(CCc1c[nH]cn1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000356257718 539964292 /nfs/dbraw/zinc/96/42/92/539964292.db2.gz UIIWYLKVDFCQJK-SFHVURJKSA-N 2 1 328.416 1.096 20 0 EDADMP O=C(CCc1cnc[nH]1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000356257718 539964297 /nfs/dbraw/zinc/96/42/97/539964297.db2.gz UIIWYLKVDFCQJK-SFHVURJKSA-N 2 1 328.416 1.096 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCC(=O)Nc3cccc(F)c3)C2)nn1 ZINC000562839094 306311124 /nfs/dbraw/zinc/31/11/24/306311124.db2.gz YZZLYJJUTOYLBI-INIZCTEOSA-N 2 1 346.410 1.542 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000562949525 306313431 /nfs/dbraw/zinc/31/34/31/306313431.db2.gz HRWJPDSZTWMGGU-MJGOQNOKSA-N 2 1 331.460 1.176 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)c2cccs2)CC1 ZINC000563211429 306323722 /nfs/dbraw/zinc/32/37/22/306323722.db2.gz YYNBFXUGKWAFDB-DZGCQCFKSA-N 2 1 338.521 1.526 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000175233413 283170769 /nfs/dbraw/zinc/17/07/69/283170769.db2.gz QXYZTJQJGUHQBT-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000175233413 283170773 /nfs/dbraw/zinc/17/07/73/283170773.db2.gz QXYZTJQJGUHQBT-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000077828012 138255361 /nfs/dbraw/zinc/25/53/61/138255361.db2.gz YUPBVTPHTULTGH-IRXDYDNUSA-N 2 1 340.512 1.376 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)CC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000080394678 138264197 /nfs/dbraw/zinc/26/41/97/138264197.db2.gz BPZQTUVPBHZYNE-HZPDHXFCSA-N 2 1 333.476 1.929 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CC[NH+](CCCCCn2cccn2)CC1 ZINC000104694948 138300651 /nfs/dbraw/zinc/30/06/51/138300651.db2.gz IIJDHTOWARLAAU-UHFFFAOYSA-N 2 1 333.480 1.293 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000111867889 138308963 /nfs/dbraw/zinc/30/89/63/138308963.db2.gz JYUVOGZXWNGNIZ-QGZVFWFLSA-N 2 1 338.496 1.367 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000126237510 138337621 /nfs/dbraw/zinc/33/76/21/138337621.db2.gz NTKQHRCZKWRVMX-YJBOKZPZSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(O)CC1 ZINC000126245184 138337861 /nfs/dbraw/zinc/33/78/61/138337861.db2.gz RTVGDVVCBLGKMG-NVXWUHKLSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(O)CC1 ZINC000126245184 138337862 /nfs/dbraw/zinc/33/78/62/138337862.db2.gz RTVGDVVCBLGKMG-NVXWUHKLSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCn3cncc3C2)C[C@H](C)O1 ZINC000130589575 138343037 /nfs/dbraw/zinc/34/30/37/138343037.db2.gz DOKUNARBGGNHEW-QLFBSQMISA-N 2 1 334.464 1.450 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCn3cncc3C2)C[C@H](C)O1 ZINC000130589575 138343038 /nfs/dbraw/zinc/34/30/38/138343038.db2.gz DOKUNARBGGNHEW-QLFBSQMISA-N 2 1 334.464 1.450 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)ccn1 ZINC000359900933 201115988 /nfs/dbraw/zinc/11/59/88/201115988.db2.gz QVBJIFNAQCRAQZ-DLBZAZTESA-N 2 1 346.475 1.721 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)c1ccccc1 ZINC000565890219 306394036 /nfs/dbraw/zinc/39/40/36/306394036.db2.gz NDFAFSMYGDZXIR-KURKYZTESA-N 2 1 331.460 1.516 20 0 EDADMP Cc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)nn1 ZINC000414439359 304114735 /nfs/dbraw/zinc/11/47/35/304114735.db2.gz SGOKMNHKWXTOIC-ZFWWWQNUSA-N 2 1 345.426 1.348 20 0 EDADMP COc1c(C)cnc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1C ZINC000414704807 304130429 /nfs/dbraw/zinc/13/04/29/304130429.db2.gz DIXYFMJUSBBRBL-HNNXBMFYSA-N 2 1 334.464 1.336 20 0 EDADMP COCCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414780892 304140236 /nfs/dbraw/zinc/14/02/36/304140236.db2.gz MCNCVOVXFXFJCD-QGZVFWFLSA-N 2 1 334.460 1.899 20 0 EDADMP CC[N@H+](C)C[C@H]1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000072858362 203248342 /nfs/dbraw/zinc/24/83/42/203248342.db2.gz CFRWQUZCSOKMGR-OAHLLOKOSA-N 2 1 329.444 1.946 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000072858362 203248344 /nfs/dbraw/zinc/24/83/44/203248344.db2.gz CFRWQUZCSOKMGR-OAHLLOKOSA-N 2 1 329.444 1.946 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000072858362 203248347 /nfs/dbraw/zinc/24/83/47/203248347.db2.gz CFRWQUZCSOKMGR-OAHLLOKOSA-N 2 1 329.444 1.946 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000072858362 203248350 /nfs/dbraw/zinc/24/83/50/203248350.db2.gz CFRWQUZCSOKMGR-OAHLLOKOSA-N 2 1 329.444 1.946 20 0 EDADMP C[N@@H+](C[C@H](O)Cn1cccn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109840 203338775 /nfs/dbraw/zinc/33/87/75/203338775.db2.gz FULBPHXMRJWQFQ-MOPGFXCFSA-N 2 1 328.460 1.698 20 0 EDADMP C[NH+](C[C@H](O)Cn1cccn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109840 203338777 /nfs/dbraw/zinc/33/87/77/203338777.db2.gz FULBPHXMRJWQFQ-MOPGFXCFSA-N 2 1 328.460 1.698 20 0 EDADMP C[NH+](C[C@H](O)Cn1cccn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109840 203338779 /nfs/dbraw/zinc/33/87/79/203338779.db2.gz FULBPHXMRJWQFQ-MOPGFXCFSA-N 2 1 328.460 1.698 20 0 EDADMP C[C@]1(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000415090483 304158604 /nfs/dbraw/zinc/15/86/04/304158604.db2.gz OZJQCJLSIFGZFU-ICSRJNTNSA-N 3 1 344.503 1.473 20 0 EDADMP C[C@]1(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000415090483 304158605 /nfs/dbraw/zinc/15/86/05/304158605.db2.gz OZJQCJLSIFGZFU-ICSRJNTNSA-N 2 1 344.503 1.473 20 0 EDADMP C[C@]1(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000415090483 304158608 /nfs/dbraw/zinc/15/86/08/304158608.db2.gz OZJQCJLSIFGZFU-ICSRJNTNSA-N 2 1 344.503 1.473 20 0 EDADMP CC[N@@H+](CCNC(=O)NCC[NH+]1CCc2ccccc2C1)C1CC1 ZINC000101981138 204029588 /nfs/dbraw/zinc/02/95/88/204029588.db2.gz XGMMQGWAIAAJSX-UHFFFAOYSA-N 2 1 330.476 1.828 20 0 EDADMP CC[NH+](CCNC(=O)NCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000101981138 204029591 /nfs/dbraw/zinc/02/95/91/204029591.db2.gz XGMMQGWAIAAJSX-UHFFFAOYSA-N 2 1 330.476 1.828 20 0 EDADMP CC[NH+](CCNC(=O)NCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000101981138 204029593 /nfs/dbraw/zinc/02/95/93/204029593.db2.gz XGMMQGWAIAAJSX-UHFFFAOYSA-N 2 1 330.476 1.828 20 0 EDADMP COCCOc1ccccc1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415126788 304162053 /nfs/dbraw/zinc/16/20/53/304162053.db2.gz MJNMFBYNBYQACP-KRWDZBQOSA-N 2 1 345.447 1.599 20 0 EDADMP COCCOc1ccccc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415133167 304162433 /nfs/dbraw/zinc/16/24/33/304162433.db2.gz BWGAYBVFTFMBKZ-MSOLQXFVSA-N 2 1 346.471 1.912 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C[C@@H]1C ZINC000415154759 304166522 /nfs/dbraw/zinc/16/65/22/304166522.db2.gz VOXQSXPGYRBPTK-UONOGXRCSA-N 2 1 332.448 1.286 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C[C@@H]1C ZINC000415154759 304166525 /nfs/dbraw/zinc/16/65/25/304166525.db2.gz VOXQSXPGYRBPTK-UONOGXRCSA-N 2 1 332.448 1.286 20 0 EDADMP CCC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000236851952 139033492 /nfs/dbraw/zinc/03/34/92/139033492.db2.gz LYQFSQUIQNRTRQ-ZWKOTPCHSA-N 2 1 332.492 1.609 20 0 EDADMP CCC[C@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000236851952 139033493 /nfs/dbraw/zinc/03/34/93/139033493.db2.gz LYQFSQUIQNRTRQ-ZWKOTPCHSA-N 2 1 332.492 1.609 20 0 EDADMP CCC[C@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000236851952 139033494 /nfs/dbraw/zinc/03/34/94/139033494.db2.gz LYQFSQUIQNRTRQ-ZWKOTPCHSA-N 2 1 332.492 1.609 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000237194614 139043590 /nfs/dbraw/zinc/04/35/90/139043590.db2.gz MLQARYKGNTVLNP-JKSUJKDBSA-N 2 1 344.459 1.069 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000237262650 139045923 /nfs/dbraw/zinc/04/59/23/139045923.db2.gz UVEYBJPVSFPTJF-GOSISDBHSA-N 2 1 330.476 1.258 20 0 EDADMP CSCC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000237277947 139046360 /nfs/dbraw/zinc/04/63/60/139046360.db2.gz RRHLFNKTGWSDKO-MRXNPFEDSA-N 2 1 337.489 1.215 20 0 EDADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000237402126 139050132 /nfs/dbraw/zinc/05/01/32/139050132.db2.gz MQXDRIIMYUVTHH-IIAWOOMASA-N 2 1 341.521 1.387 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)c2)CCO1 ZINC000237422359 139050675 /nfs/dbraw/zinc/05/06/75/139050675.db2.gz RLHWMUROXWSLTC-ZTFGCOKTSA-N 2 1 331.460 1.651 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)c2)CCO1 ZINC000237422359 139050676 /nfs/dbraw/zinc/05/06/76/139050676.db2.gz RLHWMUROXWSLTC-ZTFGCOKTSA-N 2 1 331.460 1.651 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CCCC[NH2+]3)c2)CCO1 ZINC000237422513 139050778 /nfs/dbraw/zinc/05/07/78/139050778.db2.gz DXQCWSLXNAFUON-CRAIPNDOSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCCC[NH2+]3)c2)CCO1 ZINC000237422513 139050779 /nfs/dbraw/zinc/05/07/79/139050779.db2.gz DXQCWSLXNAFUON-CRAIPNDOSA-N 2 1 331.460 1.666 20 0 EDADMP CC[N@@H+](CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000130465800 205240959 /nfs/dbraw/zinc/24/09/59/205240959.db2.gz MMYMSQFUMIHFJE-UHFFFAOYSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C[C@H](C)O1 ZINC000237602491 139055436 /nfs/dbraw/zinc/05/54/36/139055436.db2.gz CJHYMDLFRRHHLA-IYBDPMFKSA-N 2 1 337.508 1.996 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C[C@@H]2CSCC[NH2+]2)C[C@H](C)O1 ZINC000237615535 139055866 /nfs/dbraw/zinc/05/58/66/139055866.db2.gz PBDGFQOYRDSIOH-QXSJWSMHSA-N 2 1 341.521 1.182 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237674154 139057716 /nfs/dbraw/zinc/05/77/16/139057716.db2.gz FJYCHFCNJKLOTE-CQSZACIVSA-N 2 1 334.468 1.197 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237674633 139057748 /nfs/dbraw/zinc/05/77/48/139057748.db2.gz OHVNAAGUMSWAKD-APWZRJJASA-N 2 1 345.491 1.098 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000111823136 220197775 /nfs/dbraw/zinc/19/77/75/220197775.db2.gz JKZAJOICTFIEMK-MRXNPFEDSA-N 2 1 349.479 1.602 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000111823136 220197779 /nfs/dbraw/zinc/19/77/79/220197779.db2.gz JKZAJOICTFIEMK-MRXNPFEDSA-N 2 1 349.479 1.602 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000111826791 220200354 /nfs/dbraw/zinc/20/03/54/220200354.db2.gz MKSULFXRMMSXLD-INIZCTEOSA-N 2 1 328.501 1.326 20 0 EDADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000238040102 139067348 /nfs/dbraw/zinc/06/73/48/139067348.db2.gz KSNCKTHTGPJBER-IBGZPJMESA-N 2 1 344.503 1.453 20 0 EDADMP CC[C@H](CSC)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000245569040 139079905 /nfs/dbraw/zinc/07/99/05/139079905.db2.gz AJKQVMGTEZDDOC-CVEARBPZSA-N 2 1 345.553 1.533 20 0 EDADMP CC[C@H](CSC)[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000245569040 139079906 /nfs/dbraw/zinc/07/99/06/139079906.db2.gz AJKQVMGTEZDDOC-CVEARBPZSA-N 2 1 345.553 1.533 20 0 EDADMP CC[C@H](CSC)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000245569040 139079907 /nfs/dbraw/zinc/07/99/07/139079907.db2.gz AJKQVMGTEZDDOC-CVEARBPZSA-N 2 1 345.553 1.533 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)c2C1 ZINC000415264377 304181462 /nfs/dbraw/zinc/18/14/62/304181462.db2.gz CJTREGNSDNATEC-CQSZACIVSA-N 2 1 330.432 1.300 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)c2C1 ZINC000415264377 304181464 /nfs/dbraw/zinc/18/14/64/304181464.db2.gz CJTREGNSDNATEC-CQSZACIVSA-N 2 1 330.432 1.300 20 0 EDADMP CO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000246146340 139096689 /nfs/dbraw/zinc/09/66/89/139096689.db2.gz SCDZFFFCDYIFGB-YTQUADARSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000246146340 139096690 /nfs/dbraw/zinc/09/66/90/139096690.db2.gz SCDZFFFCDYIFGB-YTQUADARSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@@H]1CCC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000246146340 139096691 /nfs/dbraw/zinc/09/66/91/139096691.db2.gz SCDZFFFCDYIFGB-YTQUADARSA-N 2 1 345.487 1.876 20 0 EDADMP CO[C@@H]1CCC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000246146340 139096692 /nfs/dbraw/zinc/09/66/92/139096692.db2.gz SCDZFFFCDYIFGB-YTQUADARSA-N 2 1 345.487 1.876 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000567925950 306466964 /nfs/dbraw/zinc/46/69/64/306466964.db2.gz YMLZRYGJBNWDRK-JLSDUUJJSA-N 2 1 347.459 1.440 20 0 EDADMP C[NH2+]CCCNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415303088 304189368 /nfs/dbraw/zinc/18/93/68/304189368.db2.gz DHSFWOMHUYKSPH-UHFFFAOYSA-N 2 1 326.828 1.066 20 0 EDADMP C[C@@H](c1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1)[NH+]1CCOCC1 ZINC000333187800 296229728 /nfs/dbraw/zinc/22/97/28/296229728.db2.gz UCHALOWAHVKLPG-BHYGNILZSA-N 2 1 344.459 1.763 20 0 EDADMP CC[C@H](NC(=O)[C@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246716132 139118407 /nfs/dbraw/zinc/11/84/07/139118407.db2.gz XEVSWQBCHWGKJH-FHWLQOOXSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@H](NC(=O)[C@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246716132 139118408 /nfs/dbraw/zinc/11/84/08/139118408.db2.gz XEVSWQBCHWGKJH-FHWLQOOXSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000415334526 304196835 /nfs/dbraw/zinc/19/68/35/304196835.db2.gz SNIFSXQSHURELM-WMLDXEAASA-N 2 1 344.459 1.335 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000247203537 139140187 /nfs/dbraw/zinc/14/01/87/139140187.db2.gz LSEPPGVCPMBMCE-DOTOQJQBSA-N 2 1 335.448 1.268 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000247203537 139140188 /nfs/dbraw/zinc/14/01/88/139140188.db2.gz LSEPPGVCPMBMCE-DOTOQJQBSA-N 2 1 335.448 1.268 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000248855767 139177908 /nfs/dbraw/zinc/17/79/08/139177908.db2.gz PGUPJLIPTGEWFL-HHXXYDBFSA-N 2 1 348.491 1.119 20 0 EDADMP CC[N@@H+](CCO)CCN[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000249027281 139183307 /nfs/dbraw/zinc/18/33/07/139183307.db2.gz RUKRCUGSQGITLX-VAMGGRTRSA-N 2 1 331.504 1.801 20 0 EDADMP CC[NH+](CCO)CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000249027281 139183308 /nfs/dbraw/zinc/18/33/08/139183308.db2.gz RUKRCUGSQGITLX-VAMGGRTRSA-N 2 1 331.504 1.801 20 0 EDADMP CC[NH+](CCO)CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000249027281 139183309 /nfs/dbraw/zinc/18/33/09/139183309.db2.gz RUKRCUGSQGITLX-VAMGGRTRSA-N 2 1 331.504 1.801 20 0 EDADMP CCN(CCO)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000249027281 139183310 /nfs/dbraw/zinc/18/33/10/139183310.db2.gz RUKRCUGSQGITLX-VAMGGRTRSA-N 2 1 331.504 1.801 20 0 EDADMP CCN(CCO)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000249027281 139183311 /nfs/dbraw/zinc/18/33/11/139183311.db2.gz RUKRCUGSQGITLX-VAMGGRTRSA-N 2 1 331.504 1.801 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000249410450 139192874 /nfs/dbraw/zinc/19/28/74/139192874.db2.gz FAILNAPYPNXBGM-KURKYZTESA-N 2 1 339.524 1.972 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000249410450 139192875 /nfs/dbraw/zinc/19/28/75/139192875.db2.gz FAILNAPYPNXBGM-KURKYZTESA-N 2 1 339.524 1.972 20 0 EDADMP C[NH2+][C@H](C)Cc1noc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000261627610 139212399 /nfs/dbraw/zinc/21/23/99/139212399.db2.gz CGHHAWQUJJIIKC-OAHLLOKOSA-N 2 1 329.448 1.538 20 0 EDADMP C[NH2+][C@H](C)Cc1noc([C@@H](c2ccccc2)N2CC[NH+](C)CC2)n1 ZINC000261811944 139228011 /nfs/dbraw/zinc/22/80/11/139228011.db2.gz PWPMLIDGMFEXNH-RHSMWYFYSA-N 2 1 329.448 1.557 20 0 EDADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261857251 139231904 /nfs/dbraw/zinc/23/19/04/139231904.db2.gz BUMNEFMJILOVBI-OTWHNJEPSA-N 2 1 345.487 1.782 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)O1 ZINC000261930877 139238061 /nfs/dbraw/zinc/23/80/61/139238061.db2.gz ZTGJNRJMPOQMFO-KURKYZTESA-N 2 1 331.460 1.174 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C[NH3+])C1 ZINC000261911441 139236234 /nfs/dbraw/zinc/23/62/34/139236234.db2.gz XOHRRSNJRCJGMN-NXHRZFHOSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C[NH3+])C1 ZINC000261911441 139236235 /nfs/dbraw/zinc/23/62/35/139236235.db2.gz XOHRRSNJRCJGMN-NXHRZFHOSA-N 2 1 331.460 1.473 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261959188 139240169 /nfs/dbraw/zinc/24/01/69/139240169.db2.gz KTGSDRSNPSOUPX-MOPGFXCFSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)C1 ZINC000261971705 139240958 /nfs/dbraw/zinc/24/09/58/139240958.db2.gz LNPZESUNROAWHV-OLMNPRSZSA-N 2 1 347.459 1.852 20 0 EDADMP O=C(CC[N@H+]1CCCN(Cc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000261977060 139241217 /nfs/dbraw/zinc/24/12/17/139241217.db2.gz BTFHQDNYQMOCKN-UHFFFAOYSA-N 2 1 330.476 1.016 20 0 EDADMP O=C(CCN1CCC[N@H+](Cc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000261977060 139241218 /nfs/dbraw/zinc/24/12/18/139241218.db2.gz BTFHQDNYQMOCKN-UHFFFAOYSA-N 2 1 330.476 1.016 20 0 EDADMP O=C(CCN1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000261977060 139241219 /nfs/dbraw/zinc/24/12/19/139241219.db2.gz BTFHQDNYQMOCKN-UHFFFAOYSA-N 2 1 330.476 1.016 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CN1c1ccccc1 ZINC000262003017 139243006 /nfs/dbraw/zinc/24/30/06/139243006.db2.gz UTIGNJRSDKYLJG-DZOHQFGASA-N 2 1 329.444 1.539 20 0 EDADMP Cc1nc2ccc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cc2s1 ZINC000262038200 139245699 /nfs/dbraw/zinc/24/56/99/139245699.db2.gz XYHCSBGBNIDLEC-AWEZNQCLSA-N 2 1 332.473 1.892 20 0 EDADMP COC(=O)CCn1nc(C)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1C ZINC000262049630 139246805 /nfs/dbraw/zinc/24/68/05/139246805.db2.gz QBVLXNXGRHXPSB-UHFFFAOYSA-N 2 1 334.464 1.639 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000262075158 139248816 /nfs/dbraw/zinc/24/88/16/139248816.db2.gz SKVMXBRSYTUOBK-INIZCTEOSA-N 2 1 333.432 1.293 20 0 EDADMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)ccc1OCc1ccccc1 ZINC000262171548 139257093 /nfs/dbraw/zinc/25/70/93/139257093.db2.gz VGLVQVVTQDQTCO-MSOLQXFVSA-N 2 1 342.439 1.944 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(-c2ccnn2C)c1 ZINC000262160327 139256234 /nfs/dbraw/zinc/25/62/34/139256234.db2.gz SOIVJFFFWGDLMM-GOSISDBHSA-N 2 1 339.487 1.875 20 0 EDADMP CC(C)N1CC[C@@H](N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1=O ZINC000175143090 207097017 /nfs/dbraw/zinc/09/70/17/207097017.db2.gz YMUQHXSSOCJTTI-FGTMMUONSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000262274674 139265796 /nfs/dbraw/zinc/26/57/96/139265796.db2.gz NJDBZEXAFLWDRZ-QAPCUYQASA-N 2 1 331.460 1.392 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000416871991 251113607 /nfs/dbraw/zinc/11/36/07/251113607.db2.gz PUILEYFUABBOGG-HZPDHXFCSA-N 2 1 326.485 1.160 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000416871609 251114847 /nfs/dbraw/zinc/11/48/47/251114847.db2.gz PRVNQBXDYKVWQR-HRCADAONSA-N 2 1 326.485 1.112 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)Cc1ccccc1 ZINC000416880033 251117329 /nfs/dbraw/zinc/11/73/29/251117329.db2.gz XRECGVRLFDIGGI-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H](CNC(=O)NCCC[NH2+]Cc1cccnc1)[N@H+]1CCC[C@@H](C)C1 ZINC000417008783 251128302 /nfs/dbraw/zinc/12/83/02/251128302.db2.gz JFZUPAMVUIYXNQ-SJORKVTESA-N 2 1 347.507 1.981 20 0 EDADMP [NH3+][C@H]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417012308 251130345 /nfs/dbraw/zinc/13/03/45/251130345.db2.gz WWZHQRDUGZFRSQ-QAPCUYQASA-N 2 1 330.476 1.861 20 0 EDADMP CC(C)(CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@H+]1CCc2ccccc2C1 ZINC000417087954 251141843 /nfs/dbraw/zinc/14/18/43/251141843.db2.gz IUTVYOFNZRFMMC-AEFFLSMTSA-N 2 1 342.487 1.827 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000417219403 251148047 /nfs/dbraw/zinc/14/80/47/251148047.db2.gz JGIJHOONUYAWOQ-DJIMGWMZSA-N 2 1 332.448 1.110 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@@H]2COCC[NH2+]2)cc1F ZINC000262337453 139271220 /nfs/dbraw/zinc/27/12/20/139271220.db2.gz HMCLEPHWHDARKP-CQSZACIVSA-N 2 1 332.379 1.315 20 0 EDADMP COC[C@]1(CNC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000417321959 251158969 /nfs/dbraw/zinc/15/89/69/251158969.db2.gz DRPPQGBUQRJXFC-ZMSDIMECSA-N 2 1 326.485 1.175 20 0 EDADMP CC(C)([NH3+])CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417589830 251200111 /nfs/dbraw/zinc/20/01/11/251200111.db2.gz WFKLVUFNLYTOIA-UHFFFAOYSA-N 2 1 340.512 1.837 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000417562376 251188963 /nfs/dbraw/zinc/18/89/63/251188963.db2.gz FTMBSQYFQOSLPP-OAHLLOKOSA-N 2 1 326.485 1.448 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)CCC[NH3+])[C@@H](C)C1 ZINC000417669600 251220400 /nfs/dbraw/zinc/22/04/00/251220400.db2.gz MCFIIAXDRALAMV-JYJNAYRXSA-N 2 1 328.501 1.550 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000417613967 251206801 /nfs/dbraw/zinc/20/68/01/251206801.db2.gz USRIAHGWTNMHJK-CVEARBPZSA-N 2 1 326.485 1.256 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)C2CC([NH3+])C2)[C@@H](C)C1 ZINC000417670233 251223380 /nfs/dbraw/zinc/22/33/80/251223380.db2.gz NNDGAASCNBOYEX-LBDPXKHJSA-N 2 1 326.485 1.255 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@@H](CC[NH3+])C(F)F)Cc1ccc(F)cc1 ZINC000417830140 251288939 /nfs/dbraw/zinc/28/89/39/251288939.db2.gz RNJFDBVZUDVSIM-ZDUSSCGKSA-N 2 1 332.370 1.539 20 0 EDADMP C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000417837170 251292731 /nfs/dbraw/zinc/29/27/31/251292731.db2.gz XMJSRWOVCNHZIH-GOEBONIOSA-N 2 1 336.455 1.945 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000417791243 251271298 /nfs/dbraw/zinc/27/12/98/251271298.db2.gz JPQPKQNLXAIPCF-BRWVUGGUSA-N 2 1 338.496 1.399 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000417791923 251271700 /nfs/dbraw/zinc/27/17/00/251271700.db2.gz JWTOWKDSOSHDPP-WBVHZDCISA-N 2 1 326.460 1.594 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000417791923 251271703 /nfs/dbraw/zinc/27/17/03/251271703.db2.gz JWTOWKDSOSHDPP-WBVHZDCISA-N 2 1 326.460 1.594 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N3CC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000417867083 251305159 /nfs/dbraw/zinc/30/51/59/251305159.db2.gz WSBOAOQIWPUJDR-LSDHHAIUSA-N 2 1 348.447 1.021 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)N3CC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000417867083 251305164 /nfs/dbraw/zinc/30/51/64/251305164.db2.gz WSBOAOQIWPUJDR-LSDHHAIUSA-N 2 1 348.447 1.021 20 0 EDADMP C[C@]1(C[NH3+])CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418110680 251325428 /nfs/dbraw/zinc/32/54/28/251325428.db2.gz WPPZFASJZWDIPE-IEBWSBKVSA-N 2 1 330.476 1.889 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418121357 251333332 /nfs/dbraw/zinc/33/33/32/251333332.db2.gz WQNZPSMCYRZNBZ-OWCLPIDISA-N 2 1 326.485 1.399 20 0 EDADMP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262524850 139284153 /nfs/dbraw/zinc/28/41/53/139284153.db2.gz KGTPTQWICHJBAD-YDHLFZDLSA-N 2 1 332.448 1.306 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418426815 251368396 /nfs/dbraw/zinc/36/83/96/251368396.db2.gz KIXKNTFCZPYWSP-NVXWUHKLSA-N 2 1 333.480 1.012 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C[NH3+])CC(C)C ZINC000418446326 251372118 /nfs/dbraw/zinc/37/21/18/251372118.db2.gz PIASTWBACXPKHI-HOCLYGCPSA-N 2 1 334.464 1.725 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000418382988 251363790 /nfs/dbraw/zinc/36/37/90/251363790.db2.gz IOZSLGRMDBTOKD-KRWDZBQOSA-N 2 1 342.528 1.750 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418705677 251390574 /nfs/dbraw/zinc/39/05/74/251390574.db2.gz AISNTWALUDABIS-HZPDHXFCSA-N 2 1 340.512 1.504 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)CC2)c1 ZINC000418715270 251393716 /nfs/dbraw/zinc/39/37/16/251393716.db2.gz REQOHKRFFCLUGW-HNNXBMFYSA-N 2 1 340.418 1.805 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176635254 207245459 /nfs/dbraw/zinc/24/54/59/207245459.db2.gz NGRCDTGGRNWNCN-DLBZAZTESA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262651738 139293190 /nfs/dbraw/zinc/29/31/90/139293190.db2.gz RMGVCELXJJDLHC-GDBMZVCRSA-N 2 1 346.475 1.696 20 0 EDADMP C[NH+]1CCC([NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000177354304 207325511 /nfs/dbraw/zinc/32/55/11/207325511.db2.gz DNRGZGZUHWSYGS-UHFFFAOYSA-N 2 1 344.503 1.799 20 0 EDADMP C[C@H]([NH3+])CCC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000262834961 139306931 /nfs/dbraw/zinc/30/69/31/139306931.db2.gz QSTVCFYDWMOEIY-AWEZNQCLSA-N 2 1 338.883 1.706 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)[C@H]1n1cccn1 ZINC000423151102 252038251 /nfs/dbraw/zinc/03/82/51/252038251.db2.gz ZTVMDYUEXQANQU-YPLQCARHSA-N 2 1 334.464 1.348 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423320530 252045887 /nfs/dbraw/zinc/04/58/87/252045887.db2.gz FLBLOKVJIDUMQA-YOEHRIQHSA-N 2 1 339.505 1.977 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000423347249 252047706 /nfs/dbraw/zinc/04/77/06/252047706.db2.gz ZZSNUFLEPAGEQD-UHFFFAOYSA-N 2 1 344.463 1.397 20 0 EDADMP CC[C@@H]1CN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000423863613 252095680 /nfs/dbraw/zinc/09/56/80/252095680.db2.gz AGKGQZFHYLIOLF-MLHJIOFPSA-N 2 1 337.508 1.581 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262910553 139312237 /nfs/dbraw/zinc/31/22/37/139312237.db2.gz YKSXRBZUYZXUBC-CVEARBPZSA-N 2 1 333.480 1.754 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000423932213 252105965 /nfs/dbraw/zinc/10/59/65/252105965.db2.gz NQVZGWQCNKSCOJ-CIRFHOKZSA-N 2 1 347.507 1.553 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424143933 252142259 /nfs/dbraw/zinc/14/22/59/252142259.db2.gz KGASDBGXPGFODT-HUUCEWRRSA-N 2 1 333.480 1.301 20 0 EDADMP CC(C)c1cc(N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000424415002 252217616 /nfs/dbraw/zinc/21/76/16/252217616.db2.gz RRQHQQQWKQOBOW-UONOGXRCSA-N 2 1 329.452 1.331 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424475018 252245065 /nfs/dbraw/zinc/24/50/65/252245065.db2.gz YJIOLVHKANDVIV-IAGOWNOFSA-N 2 1 344.459 1.477 20 0 EDADMP COC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000165347582 532974599 /nfs/dbraw/zinc/97/45/99/532974599.db2.gz GWDGESCBOGZRKO-KRWDZBQOSA-N 2 1 331.460 1.536 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]2CCCC[NH+]2C[C@H]1C ZINC000343984914 285023727 /nfs/dbraw/zinc/02/37/27/285023727.db2.gz CPIJDDAKYOQGHK-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000343984914 285023729 /nfs/dbraw/zinc/02/37/29/285023729.db2.gz CPIJDDAKYOQGHK-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000343984914 285023730 /nfs/dbraw/zinc/02/37/30/285023730.db2.gz CPIJDDAKYOQGHK-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000111843315 285034407 /nfs/dbraw/zinc/03/44/07/285034407.db2.gz WOKGLBHEWRMREQ-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263220495 139329121 /nfs/dbraw/zinc/32/91/21/139329121.db2.gz LUAAVBVWBMXREV-QAPCUYQASA-N 2 1 348.878 1.872 20 0 EDADMP [NH3+][C@@H]1CCc2ncc(NC(=O)NCC[NH+]3CCSCC3)cc2C1 ZINC000570305078 306536811 /nfs/dbraw/zinc/53/68/11/306536811.db2.gz ZXCGPRPLPMGBQR-CYBMUJFWSA-N 2 1 335.477 1.068 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(O)c1 ZINC000263708577 139354495 /nfs/dbraw/zinc/35/44/95/139354495.db2.gz QBOMDMOYDSMVGW-QGZVFWFLSA-N 2 1 333.476 1.809 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495458841 255286105 /nfs/dbraw/zinc/28/61/05/255286105.db2.gz NPQVJWLUOCRYEH-SJORKVTESA-N 2 1 327.469 1.290 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495458841 255286106 /nfs/dbraw/zinc/28/61/06/255286106.db2.gz NPQVJWLUOCRYEH-SJORKVTESA-N 2 1 327.469 1.290 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000361690397 285280522 /nfs/dbraw/zinc/28/05/22/285280522.db2.gz GYFMDPAUYNZWIP-RDJZCZTQSA-N 2 1 347.507 1.389 20 0 EDADMP O[C@H](COCC(F)(F)F)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367927657 285358139 /nfs/dbraw/zinc/35/81/39/285358139.db2.gz QGIINVOVYVHRHL-QEJZJMRPSA-N 2 1 336.398 1.875 20 0 EDADMP O[C@H](COCC(F)(F)F)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000367927657 285358140 /nfs/dbraw/zinc/35/81/40/285358140.db2.gz QGIINVOVYVHRHL-QEJZJMRPSA-N 2 1 336.398 1.875 20 0 EDADMP O[C@H](COCC(F)(F)F)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000367927657 285358141 /nfs/dbraw/zinc/35/81/41/285358141.db2.gz QGIINVOVYVHRHL-QEJZJMRPSA-N 2 1 336.398 1.875 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000415925362 304286035 /nfs/dbraw/zinc/28/60/35/304286035.db2.gz XVFARQJRKBOYRB-HUUCEWRRSA-N 2 1 334.464 1.715 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C2)[nH+]1 ZINC000270545609 140120883 /nfs/dbraw/zinc/12/08/83/140120883.db2.gz YFKDHRWTUJYKIV-INIZCTEOSA-N 2 1 337.489 1.949 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C2)[nH+]1 ZINC000270545609 140120885 /nfs/dbraw/zinc/12/08/85/140120885.db2.gz YFKDHRWTUJYKIV-INIZCTEOSA-N 2 1 337.489 1.949 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000270700868 140150994 /nfs/dbraw/zinc/15/09/94/140150994.db2.gz XXICHKSQGTYRLT-CQSZACIVSA-N 2 1 340.435 1.230 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000270700868 140150995 /nfs/dbraw/zinc/15/09/95/140150995.db2.gz XXICHKSQGTYRLT-CQSZACIVSA-N 2 1 340.435 1.230 20 0 EDADMP CC[N@@H+](CCCO)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000270709742 140152645 /nfs/dbraw/zinc/15/26/45/140152645.db2.gz HRHPEIRMSWPKLF-FUHWJXTLSA-N 2 1 333.476 1.470 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000271452511 140297761 /nfs/dbraw/zinc/29/77/61/140297761.db2.gz UZYMPZPTEWDXCK-VQTJNVASSA-N 2 1 329.488 1.915 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333437679 141316971 /nfs/dbraw/zinc/31/69/71/141316971.db2.gz VQLFWWSYIFXPPM-COXVUDFISA-N 2 1 329.448 1.220 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333437679 141316972 /nfs/dbraw/zinc/31/69/72/141316972.db2.gz VQLFWWSYIFXPPM-COXVUDFISA-N 2 1 329.448 1.220 20 0 EDADMP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000333649687 141350418 /nfs/dbraw/zinc/35/04/18/141350418.db2.gz JOVBPXDPFLTCAV-GDBMZVCRSA-N 2 1 334.468 1.021 20 0 EDADMP C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000333701016 141361273 /nfs/dbraw/zinc/36/12/73/141361273.db2.gz QUYTXKNXMLGDET-OAGGEKHMSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC000333721840 141366061 /nfs/dbraw/zinc/36/60/61/141366061.db2.gz UUAHHLIGBNSTKP-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC000333721840 141366062 /nfs/dbraw/zinc/36/60/62/141366062.db2.gz UUAHHLIGBNSTKP-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP CC[C@H]1CN(C(=O)NCC2(C)CC[NH2+]CC2)C[C@H]1[NH+]1CCOCC1 ZINC000333801922 141384275 /nfs/dbraw/zinc/38/42/75/141384275.db2.gz HXCFHYGGTQOLMB-JKSUJKDBSA-N 2 1 338.496 1.128 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000340200840 142300913 /nfs/dbraw/zinc/30/09/13/142300913.db2.gz DYRZSGBXILYEEN-GASCZTMLSA-N 2 1 349.479 1.077 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000340200840 142300915 /nfs/dbraw/zinc/30/09/15/142300915.db2.gz DYRZSGBXILYEEN-GASCZTMLSA-N 2 1 349.479 1.077 20 0 EDADMP CS(=O)(=O)CC1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000340235517 142315202 /nfs/dbraw/zinc/31/52/02/142315202.db2.gz HCFBKFQXGQOXEJ-OFLPRAFFSA-N 2 1 346.537 1.416 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000340265017 142324433 /nfs/dbraw/zinc/32/44/33/142324433.db2.gz VKDREXKHUBCHOK-IAGOWNOFSA-N 2 1 337.508 1.556 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000340265017 142324435 /nfs/dbraw/zinc/32/44/35/142324435.db2.gz VKDREXKHUBCHOK-IAGOWNOFSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@@H](C(=O)NCC1CC[NH+](CCO)CC1)[N@@H+](C)Cc1ccccc1 ZINC000340278800 142328439 /nfs/dbraw/zinc/32/84/39/142328439.db2.gz LUSVISSYWWPWBJ-INIZCTEOSA-N 2 1 333.476 1.327 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cn2cc[nH+]c12 ZINC000340325231 142342230 /nfs/dbraw/zinc/34/22/30/142342230.db2.gz QYTGMQIMTKAEOH-UKRRQHHQSA-N 2 1 343.431 1.522 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn2cc[nH+]c12 ZINC000340325231 142342231 /nfs/dbraw/zinc/34/22/31/142342231.db2.gz QYTGMQIMTKAEOH-UKRRQHHQSA-N 2 1 343.431 1.522 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000345594067 143109677 /nfs/dbraw/zinc/10/96/77/143109677.db2.gz LUFSJXKFCZWADS-GVDBMIGSSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C[C@H](C)O1 ZINC000345695878 143122506 /nfs/dbraw/zinc/12/25/06/143122506.db2.gz QGJNJXHISDJMOO-DFGXFYAUSA-N 2 1 325.497 1.900 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000346125431 143170205 /nfs/dbraw/zinc/17/02/05/143170205.db2.gz GCIGAFMTOKWEJR-QGZVFWFLSA-N 2 1 345.491 1.146 20 0 EDADMP [NH3+][C@H]1CCC[C@H](C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000346280561 143186506 /nfs/dbraw/zinc/18/65/06/143186506.db2.gz JJSLVVIGZXZAJS-IRXDYDNUSA-N 2 1 345.491 1.227 20 0 EDADMP C[N@H+](CCc1ccccc1O)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000346386085 143199537 /nfs/dbraw/zinc/19/95/37/143199537.db2.gz XHVXDCKRQUKBBF-UHFFFAOYSA-N 2 1 341.459 1.609 20 0 EDADMP C[N@@H+](CCc1ccccc1O)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000346386085 143199538 /nfs/dbraw/zinc/19/95/38/143199538.db2.gz XHVXDCKRQUKBBF-UHFFFAOYSA-N 2 1 341.459 1.609 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000346601985 143221040 /nfs/dbraw/zinc/22/10/40/143221040.db2.gz HXVXRHUXZJHTGC-KSZLIROESA-N 2 1 327.513 1.170 20 0 EDADMP C[NH2+]CCC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000346686605 143231863 /nfs/dbraw/zinc/23/18/63/143231863.db2.gz ROYYXLVGUVPUGB-UHFFFAOYSA-N 3 1 332.496 1.050 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)C2(C[NH+](C)C)CCCCC2)[N@@H+](C)C1 ZINC000346700961 143234289 /nfs/dbraw/zinc/23/42/89/143234289.db2.gz JBFNEWMVTSBBTC-HZPDHXFCSA-N 2 1 325.497 1.676 20 0 EDADMP CC(C)C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000346815243 143248455 /nfs/dbraw/zinc/24/84/55/143248455.db2.gz NZMQNOYGEAKPQW-KRWDZBQOSA-N 2 1 325.497 1.581 20 0 EDADMP O=C(Cc1cccc(F)c1)N1CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346858565 143252364 /nfs/dbraw/zinc/25/23/64/143252364.db2.gz RGSIWSHWERDBOG-KRWDZBQOSA-N 2 1 333.451 1.902 20 0 EDADMP O=C(Cc1cccc(F)c1)N1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346858565 143252365 /nfs/dbraw/zinc/25/23/65/143252365.db2.gz RGSIWSHWERDBOG-KRWDZBQOSA-N 2 1 333.451 1.902 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1)N1CC[NH2+]CC1 ZINC000347017924 143272012 /nfs/dbraw/zinc/27/20/12/143272012.db2.gz KXXNKGZHICGHDS-GFCCVEGCSA-N 2 1 341.377 1.748 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1)N1CC[NH2+]CC1 ZINC000347017924 143272013 /nfs/dbraw/zinc/27/20/13/143272013.db2.gz KXXNKGZHICGHDS-GFCCVEGCSA-N 2 1 341.377 1.748 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000347019994 143272332 /nfs/dbraw/zinc/27/23/32/143272332.db2.gz MOZIATHDTPKFEN-KRWDZBQOSA-N 2 1 331.460 1.762 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1)N1CC[NH2+]CC1 ZINC000347032189 143274055 /nfs/dbraw/zinc/27/40/55/143274055.db2.gz ZCCNFJCTSXJYLH-MRXNPFEDSA-N 2 1 327.432 1.207 20 0 EDADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000347273446 143302653 /nfs/dbraw/zinc/30/26/53/143302653.db2.gz QWLGSTIFWWDZCB-YTQUADARSA-N 2 1 346.519 1.205 20 0 EDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000347273446 143302654 /nfs/dbraw/zinc/30/26/54/143302654.db2.gz QWLGSTIFWWDZCB-YTQUADARSA-N 2 1 346.519 1.205 20 0 EDADMP OC[C@H]1CC[C@@H](CO)N1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000347299064 143305213 /nfs/dbraw/zinc/30/52/13/143305213.db2.gz XYLIIXSNJDFBGO-CEXWTWQISA-N 2 1 334.460 1.095 20 0 EDADMP OC[C@H]1CC[C@@H](CO)N1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000347299064 143305214 /nfs/dbraw/zinc/30/52/14/143305214.db2.gz XYLIIXSNJDFBGO-CEXWTWQISA-N 2 1 334.460 1.095 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCCC[NH2+]C1CC1)[NH+](C)C ZINC000416843898 304351112 /nfs/dbraw/zinc/35/11/12/304351112.db2.gz PROBGDFCUHJLJW-MRXNPFEDSA-N 2 1 334.464 1.739 20 0 EDADMP COC[C@]1(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000416846837 304351620 /nfs/dbraw/zinc/35/16/20/304351620.db2.gz UQDJZNNAWPFWCH-PKOBYXMFSA-N 2 1 346.475 1.329 20 0 EDADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000410091902 286067628 /nfs/dbraw/zinc/06/76/28/286067628.db2.gz WBWQGIUMXMILFU-NXHRZFHOSA-N 2 1 333.476 1.592 20 0 EDADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000410091902 286067631 /nfs/dbraw/zinc/06/76/31/286067631.db2.gz WBWQGIUMXMILFU-NXHRZFHOSA-N 2 1 333.476 1.592 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CCC[N@H+]1C ZINC000353211726 149326833 /nfs/dbraw/zinc/32/68/33/149326833.db2.gz UKZHETVNYKEUSZ-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000353211726 149326835 /nfs/dbraw/zinc/32/68/35/149326835.db2.gz UKZHETVNYKEUSZ-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000353211726 149326838 /nfs/dbraw/zinc/32/68/38/149326838.db2.gz UKZHETVNYKEUSZ-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000416968025 304356979 /nfs/dbraw/zinc/35/69/79/304356979.db2.gz ICJLWHXLWJWUEX-SFHVURJKSA-N 2 1 347.507 1.230 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)Cc2ccn(C)c2)cc[nH+]1 ZINC000354912869 150028549 /nfs/dbraw/zinc/02/85/49/150028549.db2.gz BYWFMFLTPBWANV-CVEARBPZSA-N 2 1 346.454 1.930 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)Cc2ccn(C)c2)cc[nH+]1 ZINC000354912869 150028551 /nfs/dbraw/zinc/02/85/51/150028551.db2.gz BYWFMFLTPBWANV-CVEARBPZSA-N 2 1 346.454 1.930 20 0 EDADMP C[C@H](O)CCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000355280171 150197397 /nfs/dbraw/zinc/19/73/97/150197397.db2.gz UXAKPETXPNJZPE-GVDBMIGSSA-N 2 1 328.497 1.738 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000417028940 304362079 /nfs/dbraw/zinc/36/20/79/304362079.db2.gz CCQGITRMDDLUNK-MHORFTMASA-N 2 1 336.524 1.995 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C)CC[C@@H]2C)C[C@H](C)O1 ZINC000355483092 150286751 /nfs/dbraw/zinc/28/67/51/150286751.db2.gz RILHIUAEJYPSTL-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+](C)CC[C@@H]2C)C[C@H](C)O1 ZINC000355483092 150286752 /nfs/dbraw/zinc/28/67/52/150286752.db2.gz RILHIUAEJYPSTL-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[C@H](C)O1 ZINC000355483092 150286755 /nfs/dbraw/zinc/28/67/55/150286755.db2.gz RILHIUAEJYPSTL-HRCADAONSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355510578 150298249 /nfs/dbraw/zinc/29/82/49/150298249.db2.gz QJKLVFUCBOVWKJ-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1CC[NH+](C)CCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355510578 150298251 /nfs/dbraw/zinc/29/82/51/150298251.db2.gz QJKLVFUCBOVWKJ-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1CC[NH+](C)CCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355510578 150298254 /nfs/dbraw/zinc/29/82/54/150298254.db2.gz QJKLVFUCBOVWKJ-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417042330 304365225 /nfs/dbraw/zinc/36/52/25/304365225.db2.gz NRYASKMJZVBZEO-HZPDHXFCSA-N 2 1 333.480 1.104 20 0 EDADMP C[C@H](CNC(=O)NCC[C@H](C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000417046342 304366180 /nfs/dbraw/zinc/36/61/80/304366180.db2.gz SLVAXBDYCWZWMD-JKSUJKDBSA-N 2 1 333.480 1.234 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000417047375 304366460 /nfs/dbraw/zinc/36/64/60/304366460.db2.gz QJDFXFTYOHMXDY-HZPDHXFCSA-N 2 1 326.485 1.176 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357670675 151109688 /nfs/dbraw/zinc/10/96/88/151109688.db2.gz WMTHYSYQAXYLAL-ZACQAIPSSA-N 2 1 342.528 1.905 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357670675 151109689 /nfs/dbraw/zinc/10/96/89/151109689.db2.gz WMTHYSYQAXYLAL-ZACQAIPSSA-N 2 1 342.528 1.905 20 0 EDADMP CC[N@H+](CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C)C(C)C ZINC000357730157 151129166 /nfs/dbraw/zinc/12/91/66/151129166.db2.gz NKSVWUUQRXOHNY-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C)C(C)C ZINC000357730157 151129168 /nfs/dbraw/zinc/12/91/68/151129168.db2.gz NKSVWUUQRXOHNY-JKSUJKDBSA-N 2 1 326.485 1.221 20 0 EDADMP O=C1[C@H]([N@H+]2CC[C@@H](CN3CCOCC3)C2)CCCN1c1ccccc1 ZINC000357779472 151149186 /nfs/dbraw/zinc/14/91/86/151149186.db2.gz JXDDNXSLQSLKTQ-PKOBYXMFSA-N 2 1 343.471 1.836 20 0 EDADMP COCC[NH+]1CCC([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC1 ZINC000358089303 151266119 /nfs/dbraw/zinc/26/61/19/151266119.db2.gz UBCFSRXMALJHNV-UHFFFAOYSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000358259709 151319942 /nfs/dbraw/zinc/31/99/42/151319942.db2.gz UQNAHDWATMJOBH-SFHVURJKSA-N 2 1 337.895 1.961 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000358259709 151319945 /nfs/dbraw/zinc/31/99/45/151319945.db2.gz UQNAHDWATMJOBH-SFHVURJKSA-N 2 1 337.895 1.961 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000358327146 151338264 /nfs/dbraw/zinc/33/82/64/151338264.db2.gz IARBZYMYYANOIB-YPMHNXCESA-N 2 1 331.507 1.265 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCCC[C@H]2C)C1 ZINC000358409824 151366042 /nfs/dbraw/zinc/36/60/42/151366042.db2.gz ITQFKXYNOZQUDU-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCCC[C@H]2C)C1 ZINC000358409824 151366046 /nfs/dbraw/zinc/36/60/46/151366046.db2.gz ITQFKXYNOZQUDU-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCCC[C@H]2C)C1 ZINC000358409824 151366047 /nfs/dbraw/zinc/36/60/47/151366047.db2.gz ITQFKXYNOZQUDU-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000417112583 304373117 /nfs/dbraw/zinc/37/31/17/304373117.db2.gz MKPYCEWHOWHBTO-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@@H+]1CCc2sccc2C1 ZINC000417114333 304373476 /nfs/dbraw/zinc/37/34/76/304373476.db2.gz OAILZVLNKVRRFN-GUTXKFCHSA-N 2 1 334.489 1.498 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@H+]1CCc2sccc2C1 ZINC000417114333 304373477 /nfs/dbraw/zinc/37/34/77/304373477.db2.gz OAILZVLNKVRRFN-GUTXKFCHSA-N 2 1 334.489 1.498 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000417114983 304373877 /nfs/dbraw/zinc/37/38/77/304373877.db2.gz OJGLAIAHCRPDFP-YCPHGPKFSA-N 2 1 348.516 1.746 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000417114983 304373879 /nfs/dbraw/zinc/37/38/79/304373879.db2.gz OJGLAIAHCRPDFP-YCPHGPKFSA-N 2 1 348.516 1.746 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccco1 ZINC000360369222 152009426 /nfs/dbraw/zinc/00/94/26/152009426.db2.gz KMYRUKJZIHEERW-CZUORRHYSA-N 2 1 340.493 1.619 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000360694136 152155735 /nfs/dbraw/zinc/15/57/35/152155735.db2.gz LIYPXIPFMSSQLG-HNNXBMFYSA-N 2 1 342.553 1.797 20 0 EDADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000360720185 152168730 /nfs/dbraw/zinc/16/87/30/152168730.db2.gz YNVIPEAHDLKHSV-RHSMWYFYSA-N 2 1 337.489 1.656 20 0 EDADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000360720185 152168732 /nfs/dbraw/zinc/16/87/32/152168732.db2.gz YNVIPEAHDLKHSV-RHSMWYFYSA-N 2 1 337.489 1.656 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1C ZINC000360743694 152180573 /nfs/dbraw/zinc/18/05/73/152180573.db2.gz FYCHPTGPIJPVSQ-YCPHGPKFSA-N 2 1 328.526 1.548 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000574043480 306641371 /nfs/dbraw/zinc/64/13/71/306641371.db2.gz MUINZRVWYNCEEN-MSOLQXFVSA-N 2 1 337.508 1.414 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000360888666 152243073 /nfs/dbraw/zinc/24/30/73/152243073.db2.gz NJDQEIHJQJUYAH-ULQDDVLXSA-N 2 1 340.512 1.469 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000360888666 152243076 /nfs/dbraw/zinc/24/30/76/152243076.db2.gz NJDQEIHJQJUYAH-ULQDDVLXSA-N 2 1 340.512 1.469 20 0 EDADMP COc1cccc(CNC(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000360930223 152255389 /nfs/dbraw/zinc/25/53/89/152255389.db2.gz ZSHORHOFALMWDO-NZSAHSFTSA-N 2 1 343.471 1.728 20 0 EDADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)CC1 ZINC000361180806 152327816 /nfs/dbraw/zinc/32/78/16/152327816.db2.gz YJBPVTOEHLSJGK-DLBZAZTESA-N 2 1 338.496 1.412 20 0 EDADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)CC1 ZINC000361180806 152327820 /nfs/dbraw/zinc/32/78/20/152327820.db2.gz YJBPVTOEHLSJGK-DLBZAZTESA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn(C)nc2C(F)F)CC1 ZINC000361182206 152328035 /nfs/dbraw/zinc/32/80/35/152328035.db2.gz XCCYSCMQKREGEI-GFCCVEGCSA-N 2 1 330.423 1.882 20 0 EDADMP CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000361350386 152369012 /nfs/dbraw/zinc/36/90/12/152369012.db2.gz FNDQNIUQBGHHCI-RYQLBKOJSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000361350386 152369013 /nfs/dbraw/zinc/36/90/13/152369013.db2.gz FNDQNIUQBGHHCI-RYQLBKOJSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000361350386 152369015 /nfs/dbraw/zinc/36/90/15/152369015.db2.gz FNDQNIUQBGHHCI-RYQLBKOJSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000361350386 152369017 /nfs/dbraw/zinc/36/90/17/152369017.db2.gz FNDQNIUQBGHHCI-RYQLBKOJSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000361362913 152372479 /nfs/dbraw/zinc/37/24/79/152372479.db2.gz WLSQSWHBXYOXDJ-QFBILLFUSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362564481 152745351 /nfs/dbraw/zinc/74/53/51/152745351.db2.gz LCOYQBNKMCVNCL-CABCVRRESA-N 2 1 333.480 1.871 20 0 EDADMP Cn1ccc(N2CCC[C@H]([N@H+]3C[C@@H]4[C@H]5CCCC[NH+]5C[C@H]4C3)C2=O)n1 ZINC000363576692 153004419 /nfs/dbraw/zinc/00/44/19/153004419.db2.gz BZBKHGXIUFLNLR-NXOAAHMSSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1ccc(N2CCC[C@H]([N@@H+]3C[C@@H]4[C@H]5CCCC[NH+]5C[C@H]4C3)C2=O)n1 ZINC000363576692 153004420 /nfs/dbraw/zinc/00/44/20/153004420.db2.gz BZBKHGXIUFLNLR-NXOAAHMSSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1ccc(N2CCC[C@H]([NH+]3C[C@@H]4[C@H]5CCCC[N@H+]5C[C@H]4C3)C2=O)n1 ZINC000363576692 153004422 /nfs/dbraw/zinc/00/44/22/153004422.db2.gz BZBKHGXIUFLNLR-NXOAAHMSSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1ccc(N2CCC[C@H]([NH+]3C[C@@H]4[C@H]5CCCC[N@@H+]5C[C@H]4C3)C2=O)n1 ZINC000363576692 153004423 /nfs/dbraw/zinc/00/44/23/153004423.db2.gz BZBKHGXIUFLNLR-NXOAAHMSSA-N 2 1 343.475 1.332 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1ccccc1 ZINC000363819948 153066131 /nfs/dbraw/zinc/06/61/31/153066131.db2.gz KFPZBSHSWMIZFC-IPMKNSEASA-N 2 1 344.503 1.432 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417189117 304382375 /nfs/dbraw/zinc/38/23/75/304382375.db2.gz VZOOIZKQAUGMKB-OAHLLOKOSA-N 2 1 334.464 1.316 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000363948056 153105066 /nfs/dbraw/zinc/10/50/66/153105066.db2.gz PWCFGXAMPPCDNR-HOCLYGCPSA-N 2 1 330.432 1.038 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000363948056 153105069 /nfs/dbraw/zinc/10/50/69/153105069.db2.gz PWCFGXAMPPCDNR-HOCLYGCPSA-N 2 1 330.432 1.038 20 0 EDADMP COC[C@@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370215411 155380346 /nfs/dbraw/zinc/38/03/46/155380346.db2.gz KMGJUPYIVIHFIL-MRXNPFEDSA-N 2 1 339.524 1.924 20 0 EDADMP COC[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370215410 155381374 /nfs/dbraw/zinc/38/13/74/155381374.db2.gz KMGJUPYIVIHFIL-INIZCTEOSA-N 2 1 339.524 1.924 20 0 EDADMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1C[C@@H](CO)c2ccccc21 ZINC000364279150 153194280 /nfs/dbraw/zinc/19/42/80/153194280.db2.gz GFODYZMCKIQBHX-YOEHRIQHSA-N 2 1 332.448 1.044 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cn1cccn1 ZINC000370217504 155383181 /nfs/dbraw/zinc/38/31/81/155383181.db2.gz YMSOIOBOFXCWPL-UHFFFAOYSA-N 2 1 347.507 1.538 20 0 EDADMP C[N@@H+](CC(=O)N1CCc2ccccc2C1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364668761 153299632 /nfs/dbraw/zinc/29/96/32/153299632.db2.gz AZGVZFRTOBULTH-MRXNPFEDSA-N 2 1 338.455 1.962 20 0 EDADMP C[N@H+](CC(=O)N1CCc2ccccc2C1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364668761 153299633 /nfs/dbraw/zinc/29/96/33/153299633.db2.gz AZGVZFRTOBULTH-MRXNPFEDSA-N 2 1 338.455 1.962 20 0 EDADMP COc1ccccc1CNC(=O)C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364706574 153310643 /nfs/dbraw/zinc/31/06/43/153310643.db2.gz GWIMZSLOYOYFHJ-OAHLLOKOSA-N 2 1 342.443 1.702 20 0 EDADMP COc1ccccc1CNC(=O)C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364706574 153310645 /nfs/dbraw/zinc/31/06/45/153310645.db2.gz GWIMZSLOYOYFHJ-OAHLLOKOSA-N 2 1 342.443 1.702 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417226278 304385941 /nfs/dbraw/zinc/38/59/41/304385941.db2.gz ZKMRBOCVQZLGNK-NRSFXHEJSA-N 2 1 328.460 1.683 20 0 EDADMP CO[C@H]1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000417234162 304386760 /nfs/dbraw/zinc/38/67/60/304386760.db2.gz UMHRIRFMQRCYJF-SJORKVTESA-N 2 1 334.464 1.266 20 0 EDADMP COC[C@]1(CNC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000417248258 304387936 /nfs/dbraw/zinc/38/79/36/304387936.db2.gz BHJWADLKUSZJEU-UIBIWLFHSA-N 2 1 340.512 1.421 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417279425 304388846 /nfs/dbraw/zinc/38/88/46/304388846.db2.gz ZLMKDKCCKJPKNM-HIFRSBDPSA-N 2 1 334.489 1.357 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417279425 304388847 /nfs/dbraw/zinc/38/88/47/304388847.db2.gz ZLMKDKCCKJPKNM-HIFRSBDPSA-N 2 1 334.489 1.357 20 0 EDADMP Cc1cccc(NC2CCN(C(=O)[C@@H]([NH3+])C3CCOCC3)CC2)[nH+]1 ZINC000367182940 154032648 /nfs/dbraw/zinc/03/26/48/154032648.db2.gz AGXJIUJKMSCZAX-KRWDZBQOSA-N 2 1 332.448 1.547 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC000368001659 154363556 /nfs/dbraw/zinc/36/35/56/154363556.db2.gz QDCHWYKBHGZNBO-XIRDDKMYSA-N 2 1 345.491 1.909 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC000368001659 154363558 /nfs/dbraw/zinc/36/35/58/154363558.db2.gz QDCHWYKBHGZNBO-XIRDDKMYSA-N 2 1 345.491 1.909 20 0 EDADMP CCN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000369421639 155024426 /nfs/dbraw/zinc/02/44/26/155024426.db2.gz CEAXXRMBWHXVIF-DOTOQJQBSA-N 2 1 348.495 1.150 20 0 EDADMP CC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000369421639 155024435 /nfs/dbraw/zinc/02/44/35/155024435.db2.gz CEAXXRMBWHXVIF-DOTOQJQBSA-N 2 1 348.495 1.150 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000369529633 155074319 /nfs/dbraw/zinc/07/43/19/155074319.db2.gz DHPYOQDQWKYFKQ-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)CN1CCOCC1 ZINC000372045925 156223316 /nfs/dbraw/zinc/22/33/16/156223316.db2.gz ICQRMNLYLIBUQH-FCGDIQPGSA-N 2 1 339.524 1.434 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000364218612 292351203 /nfs/dbraw/zinc/35/12/03/292351203.db2.gz HWGDUFOIOKFJMG-UHFFFAOYSA-N 2 1 325.497 1.857 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000373877979 157045378 /nfs/dbraw/zinc/04/53/78/157045378.db2.gz JTHKXSNIVSCYLJ-KRWDZBQOSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373877979 157045383 /nfs/dbraw/zinc/04/53/83/157045383.db2.gz JTHKXSNIVSCYLJ-KRWDZBQOSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000373877979 157045385 /nfs/dbraw/zinc/04/53/85/157045385.db2.gz JTHKXSNIVSCYLJ-KRWDZBQOSA-N 2 1 340.512 1.661 20 0 EDADMP COCCSCCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373916215 157062351 /nfs/dbraw/zinc/06/23/51/157062351.db2.gz CFKZMXAGWROTRE-INIZCTEOSA-N 2 1 329.554 1.856 20 0 EDADMP COCCCNC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374299357 157232599 /nfs/dbraw/zinc/23/25/99/157232599.db2.gz YBMZYPXBAOXDKB-HZPDHXFCSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccccc3[C@@H]2C(N)=O)CC1 ZINC000374320897 157242453 /nfs/dbraw/zinc/24/24/53/157242453.db2.gz NRYUHJOTBPNITR-LJQANCHMSA-N 2 1 344.503 1.487 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3ccccc3[C@@H]2C(N)=O)CC1 ZINC000374320897 157242457 /nfs/dbraw/zinc/24/24/57/157242457.db2.gz NRYUHJOTBPNITR-LJQANCHMSA-N 2 1 344.503 1.487 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000374368644 157262613 /nfs/dbraw/zinc/26/26/13/157262613.db2.gz XIYIMBZDUCFHSY-WMZOPIPTSA-N 2 1 346.475 1.319 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000374368644 157262614 /nfs/dbraw/zinc/26/26/14/157262614.db2.gz XIYIMBZDUCFHSY-WMZOPIPTSA-N 2 1 346.475 1.319 20 0 EDADMP COc1ccc([C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH2+]C3)CCC[N@H+]2C)cc1 ZINC000374462607 157299268 /nfs/dbraw/zinc/29/92/68/157299268.db2.gz ZGJMTWZBGVFZBT-SOLBZPMBSA-N 2 1 331.460 1.804 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374780942 157398789 /nfs/dbraw/zinc/39/87/89/157398789.db2.gz UBPBXKRYZMAFAN-UHFFFAOYSA-N 2 1 326.466 1.082 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374780942 157398791 /nfs/dbraw/zinc/39/87/91/157398791.db2.gz UBPBXKRYZMAFAN-UHFFFAOYSA-N 2 1 326.466 1.082 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000378123578 158085377 /nfs/dbraw/zinc/08/53/77/158085377.db2.gz ZLVZADDVLKMCIW-SJLPKXTDSA-N 2 1 347.507 1.828 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000378209448 158109765 /nfs/dbraw/zinc/10/97/65/158109765.db2.gz ZADCADOJPSFHJT-APIJFGDWSA-N 2 1 329.510 1.072 20 0 EDADMP O=C(C[N@@H+]1CC[C@@H](C2CC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000378315420 158138492 /nfs/dbraw/zinc/13/84/92/158138492.db2.gz ISVKLUFHJRGKHO-GOSISDBHSA-N 2 1 349.519 1.870 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](C2CC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000378315420 158138494 /nfs/dbraw/zinc/13/84/94/158138494.db2.gz ISVKLUFHJRGKHO-GOSISDBHSA-N 2 1 349.519 1.870 20 0 EDADMP CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)[NH+](C)C ZINC000378322078 158140042 /nfs/dbraw/zinc/14/00/42/158140042.db2.gz ZWIIVTNYXKESQM-MWDXBVQZSA-N 2 1 325.497 1.722 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N(C)C[C@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000347519656 161785332 /nfs/dbraw/zinc/78/53/32/161785332.db2.gz QSUKPVIDAKBSQX-CVEARBPZSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCC(=O)NCC(F)(F)F ZINC000364459074 162329284 /nfs/dbraw/zinc/32/92/84/162329284.db2.gz QHTSLDPFJOSZBW-JHJVBQTASA-N 2 1 337.386 1.144 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000364459074 162329289 /nfs/dbraw/zinc/32/92/89/162329289.db2.gz QHTSLDPFJOSZBW-JHJVBQTASA-N 2 1 337.386 1.144 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000364459074 162329291 /nfs/dbraw/zinc/32/92/91/162329291.db2.gz QHTSLDPFJOSZBW-JHJVBQTASA-N 2 1 337.386 1.144 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000073618783 287262305 /nfs/dbraw/zinc/26/23/05/287262305.db2.gz OWBWQUUBAVYDGF-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000073660330 287263004 /nfs/dbraw/zinc/26/30/04/287263004.db2.gz TVLGQQAEKFTYDF-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418315820 304478749 /nfs/dbraw/zinc/47/87/49/304478749.db2.gz KVFFAFGMZFNFRN-QGZVFWFLSA-N 2 1 330.476 1.822 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000418465551 304498726 /nfs/dbraw/zinc/49/87/26/304498726.db2.gz NHAHIXXXAKNKLT-AEFFLSMTSA-N 2 1 330.476 1.950 20 0 EDADMP COC(=O)CCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274792930 268207813 /nfs/dbraw/zinc/20/78/13/268207813.db2.gz CQEXVPJLJMOORG-WBVHZDCISA-N 2 1 347.459 1.166 20 0 EDADMP COC(=O)CCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274792930 268207814 /nfs/dbraw/zinc/20/78/14/268207814.db2.gz CQEXVPJLJMOORG-WBVHZDCISA-N 2 1 347.459 1.166 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000283961096 274027327 /nfs/dbraw/zinc/02/73/27/274027327.db2.gz JZJHKMOLUBVXSD-DOTOQJQBSA-N 2 1 348.491 1.252 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284071567 274069848 /nfs/dbraw/zinc/06/98/48/274069848.db2.gz QPJYEIFIMUSOQT-UHFFFAOYSA-N 2 1 343.431 1.055 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CC[C@H]([NH3+])C3)c2)CCO1 ZINC000263279171 274354034 /nfs/dbraw/zinc/35/40/34/274354034.db2.gz RLHWMUROXWSLTC-OLMNPRSZSA-N 2 1 331.460 1.651 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CC[C@H]([NH3+])C3)c2)CCO1 ZINC000263279171 274354037 /nfs/dbraw/zinc/35/40/37/274354037.db2.gz RLHWMUROXWSLTC-OLMNPRSZSA-N 2 1 331.460 1.651 20 0 EDADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000285610860 274595583 /nfs/dbraw/zinc/59/55/83/274595583.db2.gz VWBKFQMTPFFTIV-UHFFFAOYSA-N 2 1 338.411 1.924 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000372826481 276013005 /nfs/dbraw/zinc/01/30/05/276013005.db2.gz VJNMUEZVZSMYHW-RCCFBDPRSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000372826481 276013006 /nfs/dbraw/zinc/01/30/06/276013006.db2.gz VJNMUEZVZSMYHW-RCCFBDPRSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000361622349 276361978 /nfs/dbraw/zinc/36/19/78/276361978.db2.gz KKIZVOXGXJAIJF-OWCLPIDISA-N 2 1 325.522 1.899 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000171873644 276365454 /nfs/dbraw/zinc/36/54/54/276365454.db2.gz SNQJKUVKQNMWLX-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000171873644 276365456 /nfs/dbraw/zinc/36/54/56/276365456.db2.gz SNQJKUVKQNMWLX-KRWDZBQOSA-N 2 1 347.507 1.623 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000368169004 276808034 /nfs/dbraw/zinc/80/80/34/276808034.db2.gz UTKGVUSWNIKLHE-UHFFFAOYSA-N 2 1 346.475 1.863 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)C[NH2+]CC2CC2)[C@H](c2ccccc2)C1 ZINC000370768256 277106245 /nfs/dbraw/zinc/10/62/45/277106245.db2.gz YSJWIQIPFBYMMN-SFHVURJKSA-N 2 1 330.476 1.091 20 0 EDADMP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000496818034 277198699 /nfs/dbraw/zinc/19/86/99/277198699.db2.gz HOBOVXUWCYXOAP-UHFFFAOYSA-N 2 1 327.473 1.499 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC000349645579 277221022 /nfs/dbraw/zinc/22/10/22/277221022.db2.gz OJJKZFNYWAGTOK-YESZJQIVSA-N 2 1 340.512 1.659 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000349645579 277221023 /nfs/dbraw/zinc/22/10/23/277221023.db2.gz OJJKZFNYWAGTOK-YESZJQIVSA-N 2 1 340.512 1.659 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000349645579 277221024 /nfs/dbraw/zinc/22/10/24/277221024.db2.gz OJJKZFNYWAGTOK-YESZJQIVSA-N 2 1 340.512 1.659 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000246204238 277273418 /nfs/dbraw/zinc/27/34/18/277273418.db2.gz FFGVONJAYNCHDP-AEFFLSMTSA-N 2 1 332.492 1.337 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000246204238 277273419 /nfs/dbraw/zinc/27/34/19/277273419.db2.gz FFGVONJAYNCHDP-AEFFLSMTSA-N 2 1 332.492 1.337 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000246204238 277273420 /nfs/dbraw/zinc/27/34/20/277273420.db2.gz FFGVONJAYNCHDP-AEFFLSMTSA-N 2 1 332.492 1.337 20 0 EDADMP C[NH2+][C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1cnn(C)c1 ZINC000375826450 277296613 /nfs/dbraw/zinc/29/66/13/277296613.db2.gz VOBJDNHNIFEXKI-MSOLQXFVSA-N 2 1 341.459 1.414 20 0 EDADMP CO[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370215377 277321546 /nfs/dbraw/zinc/32/15/46/277321546.db2.gz KEYUOITVTWYEPI-OAHLLOKOSA-N 2 1 325.497 1.676 20 0 EDADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000354518650 277387005 /nfs/dbraw/zinc/38/70/05/277387005.db2.gz WHJUVSPJPSAGDE-IAGOWNOFSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000354518650 277387007 /nfs/dbraw/zinc/38/70/07/277387007.db2.gz WHJUVSPJPSAGDE-IAGOWNOFSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000362969404 288090000 /nfs/dbraw/zinc/09/00/00/288090000.db2.gz LYCUIQTUQCYASY-CJNGLKHVSA-N 2 1 332.448 1.691 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N1CCC(OC)CC1 ZINC000349384250 279329106 /nfs/dbraw/zinc/32/91/06/279329106.db2.gz WGAHSKXCVPKEOI-INIZCTEOSA-N 2 1 340.512 1.565 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000272270362 279421076 /nfs/dbraw/zinc/42/10/76/279421076.db2.gz NRSJUOYNCHLQAU-BHYGNILZSA-N 2 1 333.501 1.972 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCCO1 ZINC000418123506 288163043 /nfs/dbraw/zinc/16/30/43/288163043.db2.gz ZCSWUGHBULKXAW-PMPSAXMXSA-N 2 1 326.485 1.304 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000361083380 288205400 /nfs/dbraw/zinc/20/54/00/288205400.db2.gz GWLBRFGRCRQFRM-KBAYOESNSA-N 2 1 337.508 1.772 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[NH+]1CCN(C)CC1 ZINC000105105798 280246035 /nfs/dbraw/zinc/24/60/35/280246035.db2.gz IQGWZKKOYCFCJP-WBVHZDCISA-N 2 1 339.528 1.040 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000105105798 280246037 /nfs/dbraw/zinc/24/60/37/280246037.db2.gz IQGWZKKOYCFCJP-WBVHZDCISA-N 2 1 339.528 1.040 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000105105798 280246039 /nfs/dbraw/zinc/24/60/39/280246039.db2.gz IQGWZKKOYCFCJP-WBVHZDCISA-N 2 1 339.528 1.040 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000333862112 280282926 /nfs/dbraw/zinc/28/29/26/280282926.db2.gz QDJCZFUOHABYNF-HUUCEWRRSA-N 2 1 334.464 1.315 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246231222 280322222 /nfs/dbraw/zinc/32/22/22/280322222.db2.gz FDOVOUDNOXGUNE-JQHSSLGASA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000369372573 288309417 /nfs/dbraw/zinc/30/94/17/288309417.db2.gz KBVUWCAHADJQTL-RYRKJORJSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369372573 288309423 /nfs/dbraw/zinc/30/94/23/288309423.db2.gz KBVUWCAHADJQTL-RYRKJORJSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369372573 288309427 /nfs/dbraw/zinc/30/94/27/288309427.db2.gz KBVUWCAHADJQTL-RYRKJORJSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369372573 288309430 /nfs/dbraw/zinc/30/94/30/288309430.db2.gz KBVUWCAHADJQTL-RYRKJORJSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369372573 288309432 /nfs/dbraw/zinc/30/94/32/288309432.db2.gz KBVUWCAHADJQTL-RYRKJORJSA-N 2 1 349.523 1.033 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N(C)CC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000287949224 288364289 /nfs/dbraw/zinc/36/42/89/288364289.db2.gz SUFBGJARDCDAQY-ROUUACIJSA-N 2 1 348.491 1.651 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)N(C)CC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000287949224 288364292 /nfs/dbraw/zinc/36/42/92/288364292.db2.gz SUFBGJARDCDAQY-ROUUACIJSA-N 2 1 348.491 1.651 20 0 EDADMP C[NH+](C)CC1(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000375202401 282070869 /nfs/dbraw/zinc/07/08/69/282070869.db2.gz QKRCENQLPQQPIS-CVEARBPZSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000357635192 288984816 /nfs/dbraw/zinc/98/48/16/288984816.db2.gz DHODSDDBPUBJAS-PBHICJAKSA-N 2 1 336.480 1.118 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000358884732 289131397 /nfs/dbraw/zinc/13/13/97/289131397.db2.gz HXUTXKLGVMRZIJ-IAGOWNOFSA-N 2 1 341.544 1.384 20 0 EDADMP CN(CCCN(C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC[NH+](C)C ZINC000358884732 289131398 /nfs/dbraw/zinc/13/13/98/289131398.db2.gz HXUTXKLGVMRZIJ-IAGOWNOFSA-N 2 1 341.544 1.384 20 0 EDADMP COCC[C@]1(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC[NH2+]C1 ZINC000364238879 292725095 /nfs/dbraw/zinc/72/50/95/292725095.db2.gz SNLLYKYIJDBSDG-IIDMSEBBSA-N 2 1 341.496 1.007 20 0 EDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)N3CCc4ccccc4C3)C2)C1 ZINC000292053907 289250220 /nfs/dbraw/zinc/25/02/20/289250220.db2.gz BUJMRYOADUKYKQ-HXUWFJFHSA-N 2 1 327.472 1.989 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)N3CCc4ccccc4C3)C2)C1 ZINC000292053907 289250221 /nfs/dbraw/zinc/25/02/21/289250221.db2.gz BUJMRYOADUKYKQ-HXUWFJFHSA-N 2 1 327.472 1.989 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)N3CCc4ccccc4C3)C2)C1 ZINC000292053907 289250226 /nfs/dbraw/zinc/25/02/26/289250226.db2.gz BUJMRYOADUKYKQ-HXUWFJFHSA-N 2 1 327.472 1.989 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)Cc1ccccc1 ZINC000416829708 289281226 /nfs/dbraw/zinc/28/12/26/289281226.db2.gz FYRAFVNUSYNQCI-SJLPKXTDSA-N 2 1 336.455 1.502 20 0 EDADMP CNS(=O)(=O)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000662276439 453002112 /nfs/dbraw/zinc/00/21/12/453002112.db2.gz IPLYMFLAMKEBDN-INIZCTEOSA-N 2 1 325.478 1.592 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@H](C[NH3+])OC)CC[N@H+]2C2CC2)c1 ZINC000423837872 295321624 /nfs/dbraw/zinc/32/16/24/295321624.db2.gz XHFUETUUOYDSKW-IXDOHACOSA-N 2 1 333.432 1.063 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000362656842 295401699 /nfs/dbraw/zinc/40/16/99/295401699.db2.gz FDDFNPTXTACSID-PVAVHDDUSA-N 2 1 348.491 1.889 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000377032476 297263114 /nfs/dbraw/zinc/26/31/14/297263114.db2.gz RBKXUFWLKSNGPT-GUDVDZBRSA-N 2 1 335.540 1.172 20 0 EDADMP CN(CC(C)(C)C[NH3+])C(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662427156 453135778 /nfs/dbraw/zinc/13/57/78/453135778.db2.gz KDGSVBBPCIFISB-GFCCVEGCSA-N 2 1 328.254 1.892 20 0 EDADMP C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1[NH3+] ZINC000333927610 300142255 /nfs/dbraw/zinc/14/22/55/300142255.db2.gz WOJPNUAOMWUAHX-JKSUJKDBSA-N 2 1 338.496 1.400 20 0 EDADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372855765 447319113 /nfs/dbraw/zinc/31/91/13/447319113.db2.gz ILJSAISYENPRGJ-GOSISDBHSA-N 2 1 348.466 1.106 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC000448521340 447327077 /nfs/dbraw/zinc/32/70/77/447327077.db2.gz OCVOHDCGPJRZFO-HLLBOEOZSA-N 2 1 342.553 1.795 20 0 EDADMP COc1nccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000295535929 303231441 /nfs/dbraw/zinc/23/14/41/303231441.db2.gz XBOOFXISLYMLAE-GOSISDBHSA-N 2 1 342.443 1.732 20 0 EDADMP COc1nccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1 ZINC000295535929 303231443 /nfs/dbraw/zinc/23/14/43/303231443.db2.gz XBOOFXISLYMLAE-GOSISDBHSA-N 2 1 342.443 1.732 20 0 EDADMP CC[C@@H](CO)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000295721606 303257616 /nfs/dbraw/zinc/25/76/16/303257616.db2.gz OBWHCSOSCOKCIA-IBGZPJMESA-N 2 1 347.503 1.732 20 0 EDADMP CC[C@@H](CO)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000295721606 303257617 /nfs/dbraw/zinc/25/76/17/303257617.db2.gz OBWHCSOSCOKCIA-IBGZPJMESA-N 2 1 347.503 1.732 20 0 EDADMP CC[C@@H](CO)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000295721606 303257619 /nfs/dbraw/zinc/25/76/19/303257619.db2.gz OBWHCSOSCOKCIA-IBGZPJMESA-N 2 1 347.503 1.732 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](CCOC)C2)[C@@H](C)C1 ZINC000448524688 447327732 /nfs/dbraw/zinc/32/77/32/447327732.db2.gz KITODJSRFCIKGK-JYJNAYRXSA-N 2 1 326.485 1.079 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](CCOC)C2)[C@@H](C)C1 ZINC000448524688 447327739 /nfs/dbraw/zinc/32/77/39/447327739.db2.gz KITODJSRFCIKGK-JYJNAYRXSA-N 2 1 326.485 1.079 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)[C@@H](C)C1 ZINC000448524688 447327746 /nfs/dbraw/zinc/32/77/46/447327746.db2.gz KITODJSRFCIKGK-JYJNAYRXSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCOCC1 ZINC000297597931 303418465 /nfs/dbraw/zinc/41/84/65/303418465.db2.gz QEKVASHTLXJPSO-KRWDZBQOSA-N 2 1 345.447 1.490 20 0 EDADMP Brc1cnn(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423112573 304886956 /nfs/dbraw/zinc/88/69/56/304886956.db2.gz RZZPYBCKCNRGEN-MJBXVCDLSA-N 2 1 343.269 1.392 20 0 EDADMP C[C@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000428943095 305020642 /nfs/dbraw/zinc/02/06/42/305020642.db2.gz DJRXNPCMQPOAOD-HKUYNNGSSA-N 2 1 344.503 1.309 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000430584898 305057134 /nfs/dbraw/zinc/05/71/34/305057134.db2.gz QEAKEQBVQBTLHC-CABCVRRESA-N 2 1 337.439 1.770 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000430584898 305057135 /nfs/dbraw/zinc/05/71/35/305057135.db2.gz QEAKEQBVQBTLHC-CABCVRRESA-N 2 1 337.439 1.770 20 0 EDADMP CC(C)(C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000430871667 305066526 /nfs/dbraw/zinc/06/65/26/305066526.db2.gz DZQVREVOEGXKDE-AWEZNQCLSA-N 2 1 332.448 1.307 20 0 EDADMP CCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000430878917 305066644 /nfs/dbraw/zinc/06/66/44/305066644.db2.gz QGVFMULBFCDWGD-LSDHHAIUSA-N 2 1 332.448 1.450 20 0 EDADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000430926402 305068688 /nfs/dbraw/zinc/06/86/88/305068688.db2.gz GBOBMYMVLRFXLR-OAHLLOKOSA-N 2 1 344.459 1.144 20 0 EDADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000430926402 305068689 /nfs/dbraw/zinc/06/86/89/305068689.db2.gz GBOBMYMVLRFXLR-OAHLLOKOSA-N 2 1 344.459 1.144 20 0 EDADMP COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)c(OC)c1 ZINC000430968511 305071646 /nfs/dbraw/zinc/07/16/46/305071646.db2.gz WTMUJLCRHMPZBS-WMLDXEAASA-N 2 1 347.459 1.648 20 0 EDADMP COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)c(OC)c1 ZINC000430968511 305071647 /nfs/dbraw/zinc/07/16/47/305071647.db2.gz WTMUJLCRHMPZBS-WMLDXEAASA-N 2 1 347.459 1.648 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433338602 305106095 /nfs/dbraw/zinc/10/60/95/305106095.db2.gz WSCVWFAAZGQXBE-HZPDHXFCSA-N 2 1 328.501 1.517 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433338602 305106096 /nfs/dbraw/zinc/10/60/96/305106096.db2.gz WSCVWFAAZGQXBE-HZPDHXFCSA-N 2 1 328.501 1.517 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433338602 305106097 /nfs/dbraw/zinc/10/60/97/305106097.db2.gz WSCVWFAAZGQXBE-HZPDHXFCSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433358013 305106409 /nfs/dbraw/zinc/10/64/09/305106409.db2.gz XJAMPQGMHSJDHB-AEFFLSMTSA-N 2 1 332.492 1.432 20 0 EDADMP C[C@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[N@H+]1CCCC[C@H]1C ZINC000433387914 305107559 /nfs/dbraw/zinc/10/75/59/305107559.db2.gz SHNHSHZXGDTRDD-BZUAXINKSA-N 2 1 333.480 1.800 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[NH+]1C1CC1 ZINC000433413853 305108510 /nfs/dbraw/zinc/10/85/10/305108510.db2.gz VHAYUXADLPCSEO-ARFHVFGLSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C[NH+]1C1CC1 ZINC000433413853 305108511 /nfs/dbraw/zinc/10/85/11/305108511.db2.gz VHAYUXADLPCSEO-ARFHVFGLSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433862641 305114104 /nfs/dbraw/zinc/11/41/04/305114104.db2.gz MRBMAAMEULBYQZ-WMLDXEAASA-N 2 1 339.505 1.709 20 0 EDADMP C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000435580267 305142927 /nfs/dbraw/zinc/14/29/27/305142927.db2.gz PPHYDLBNLANMRK-HZPDHXFCSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000438549618 305187073 /nfs/dbraw/zinc/18/70/73/305187073.db2.gz FDZYOOKSLKUPTB-WMZOPIPTSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CN1CC[NH+](C)CC1 ZINC000438549618 305187074 /nfs/dbraw/zinc/18/70/74/305187074.db2.gz FDZYOOKSLKUPTB-WMZOPIPTSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CN1CC[NH+](C)CC1 ZINC000438549618 305187075 /nfs/dbraw/zinc/18/70/75/305187075.db2.gz FDZYOOKSLKUPTB-WMZOPIPTSA-N 2 1 336.524 1.393 20 0 EDADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000440980978 305215571 /nfs/dbraw/zinc/21/55/71/305215571.db2.gz NMFAUSNBWAHYNZ-CVEARBPZSA-N 2 1 339.528 1.184 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C[C@@H](C)C2)C1 ZINC000443639786 305240379 /nfs/dbraw/zinc/24/03/79/305240379.db2.gz LOVCLITXJREDGM-RCCFBDPRSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C[C@@H](C)C2)C1 ZINC000443639786 305240380 /nfs/dbraw/zinc/24/03/80/305240380.db2.gz LOVCLITXJREDGM-RCCFBDPRSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C[C@@H](C)C2)C1 ZINC000443639786 305240381 /nfs/dbraw/zinc/24/03/81/305240381.db2.gz LOVCLITXJREDGM-RCCFBDPRSA-N 2 1 339.524 1.827 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000443686421 305240939 /nfs/dbraw/zinc/24/09/39/305240939.db2.gz XBHHFQYYJMVCPW-YYIAUSFCSA-N 2 1 325.497 1.865 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC([NH+](C)C[C@H](C)O)CC1)c1ccccc1 ZINC000444375912 305247515 /nfs/dbraw/zinc/24/75/15/305247515.db2.gz QWWZBMSSNNNSJX-QFBILLFUSA-N 2 1 347.503 1.983 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1)c1ccccc1 ZINC000444375912 305247516 /nfs/dbraw/zinc/24/75/16/305247516.db2.gz QWWZBMSSNNNSJX-QFBILLFUSA-N 2 1 347.503 1.983 20 0 EDADMP CCC[C@@]1(CO)CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000446907242 305271692 /nfs/dbraw/zinc/27/16/92/305271692.db2.gz VIGIFMSTICOEEK-SFHVURJKSA-N 2 1 333.480 1.355 20 0 EDADMP CCC[C@@]1(CO)CCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000446907242 305271693 /nfs/dbraw/zinc/27/16/93/305271693.db2.gz VIGIFMSTICOEEK-SFHVURJKSA-N 2 1 333.480 1.355 20 0 EDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)COC1CCC([NH3+])CC1 ZINC000449107897 305306953 /nfs/dbraw/zinc/30/69/53/305306953.db2.gz OUJRLJLBFBYCND-UHFFFAOYSA-N 2 1 325.497 1.996 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)C(C)(C)O)CC1 ZINC000451362004 305341458 /nfs/dbraw/zinc/34/14/58/305341458.db2.gz OLEJRTTUHKYHNL-IAGOWNOFSA-N 2 1 347.503 1.983 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)C(C)(C)O)CC1 ZINC000451362004 305341459 /nfs/dbraw/zinc/34/14/59/305341459.db2.gz OLEJRTTUHKYHNL-IAGOWNOFSA-N 2 1 347.503 1.983 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452169535 305385531 /nfs/dbraw/zinc/38/55/31/305385531.db2.gz GEINFWOSYRWYBA-QAPCUYQASA-N 2 1 337.508 1.722 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)C[NH+]1CCOCC1 ZINC000458408777 447351122 /nfs/dbraw/zinc/35/11/22/447351122.db2.gz HAYAUERLBBFJME-WMZOPIPTSA-N 2 1 338.496 1.082 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)C[NH+]1CCOCC1 ZINC000458408777 447351127 /nfs/dbraw/zinc/35/11/27/447351127.db2.gz HAYAUERLBBFJME-WMZOPIPTSA-N 2 1 338.496 1.082 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458412227 447352826 /nfs/dbraw/zinc/35/28/26/447352826.db2.gz BFRKDMCJXIHPGC-MRXNPFEDSA-N 2 1 337.468 1.118 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000458412227 447352832 /nfs/dbraw/zinc/35/28/32/447352832.db2.gz BFRKDMCJXIHPGC-MRXNPFEDSA-N 2 1 337.468 1.118 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)N1CC[NH+](C)CC1 ZINC000456291982 447355378 /nfs/dbraw/zinc/35/53/78/447355378.db2.gz ZDRYTDVSACTRML-KSSFIOAISA-N 2 1 330.476 1.810 20 0 EDADMP CN(C(=O)c1ccc(CC[NH+](C)C)cc1)C(C)(C)C[NH+]1CCOCC1 ZINC000520837643 305783749 /nfs/dbraw/zinc/78/37/49/305783749.db2.gz CPDMQOXRAUSEBF-UHFFFAOYSA-N 2 1 347.503 1.974 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@H]1C ZINC000414937084 447363815 /nfs/dbraw/zinc/36/38/15/447363815.db2.gz HKYIUGXGGZEEHG-PBHICJAKSA-N 2 1 346.475 1.676 20 0 EDADMP Cn1[nH]c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc1=O ZINC000540920283 306041403 /nfs/dbraw/zinc/04/14/03/306041403.db2.gz HNYSXZPDCIOPJK-UHFFFAOYSA-N 2 1 329.448 1.452 20 0 EDADMP Cn1[nH]c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nc1=O ZINC000540920283 306041404 /nfs/dbraw/zinc/04/14/04/306041404.db2.gz HNYSXZPDCIOPJK-UHFFFAOYSA-N 2 1 329.448 1.452 20 0 EDADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000542715805 306057052 /nfs/dbraw/zinc/05/70/52/306057052.db2.gz IYGCAZJOINXNGE-MRXNPFEDSA-N 2 1 330.476 1.952 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000542715805 306057053 /nfs/dbraw/zinc/05/70/53/306057053.db2.gz IYGCAZJOINXNGE-MRXNPFEDSA-N 2 1 330.476 1.952 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414944404 447367638 /nfs/dbraw/zinc/36/76/38/447367638.db2.gz OAFXZLTYQUZMIM-CXAGYDPISA-N 2 1 344.459 1.116 20 0 EDADMP C[N@@H+](CCC(=O)NC1(CCO)CC[NH+](C)CC1)C1CCCCC1 ZINC000548392314 306126540 /nfs/dbraw/zinc/12/65/40/306126540.db2.gz XNCZGKIISFJASX-UHFFFAOYSA-N 2 1 325.497 1.604 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@]3(O)CCCC3(C)C)cn2)CC1 ZINC000549860559 306149355 /nfs/dbraw/zinc/14/93/55/306149355.db2.gz HFOVHGGRCRLXKH-SFHVURJKSA-N 2 1 333.480 1.259 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@H]1C ZINC000414949070 447369691 /nfs/dbraw/zinc/36/96/91/447369691.db2.gz ZNQTVQWRCXPWIA-RHSMWYFYSA-N 2 1 346.475 1.676 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000414949392 447370858 /nfs/dbraw/zinc/37/08/58/447370858.db2.gz ZHRGXNPLZQODQX-WMLDXEAASA-N 2 1 346.475 1.580 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H]([NH+](C)C)C1)CCC(F)(F)F ZINC000426008114 447378729 /nfs/dbraw/zinc/37/87/29/447378729.db2.gz PXTHISHOIURCKU-CYBMUJFWSA-N 2 1 338.418 1.996 20 0 EDADMP CN(c1ccccc1C[NH2+]C[C@H]1CNCCN1C)C1CC[NH+](C)CC1 ZINC000414971229 447380279 /nfs/dbraw/zinc/38/02/79/447380279.db2.gz ICDFYIYZRRNFNT-LJQANCHMSA-N 2 1 345.535 1.210 20 0 EDADMP COC(=O)C1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000426033582 447382278 /nfs/dbraw/zinc/38/22/78/447382278.db2.gz CFHQENCPDZNTIH-AFMYVXGZSA-N 2 1 346.471 1.945 20 0 EDADMP COC(=O)C1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000426033582 447382287 /nfs/dbraw/zinc/38/22/87/447382287.db2.gz CFHQENCPDZNTIH-AFMYVXGZSA-N 2 1 346.471 1.945 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000458497912 447389901 /nfs/dbraw/zinc/38/99/01/447389901.db2.gz HWQWKGDWYOABPF-GOEBONIOSA-N 2 1 328.526 1.455 20 0 EDADMP C[C@@H](CCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCCCC1 ZINC000458648630 447437812 /nfs/dbraw/zinc/43/78/12/447437812.db2.gz MFVJQZYDYUOKLM-IRXDYDNUSA-N 2 1 340.512 1.397 20 0 EDADMP C[N@@H+](CCNC(=O)C1CC[NH+](CC(C)(C)O)CC1)Cc1ccccc1 ZINC000081156105 441236495 /nfs/dbraw/zinc/23/64/95/441236495.db2.gz KIVAKKZUHQCZJU-UHFFFAOYSA-N 2 1 347.503 1.718 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000105193090 441242021 /nfs/dbraw/zinc/24/20/21/441242021.db2.gz BVXNMJOECCTCBD-UHFFFAOYSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCOc2cccc(C)c2)CC1 ZINC000016421236 441223737 /nfs/dbraw/zinc/22/37/37/441223737.db2.gz IAOQZICUQACRJC-UHFFFAOYSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCOc2cccc(C)c2)CC1 ZINC000016421236 441223741 /nfs/dbraw/zinc/22/37/41/441223741.db2.gz IAOQZICUQACRJC-UHFFFAOYSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](CC)CC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000063732530 441348208 /nfs/dbraw/zinc/34/82/08/441348208.db2.gz MEWGWRRERIMBCP-IBGZPJMESA-N 2 1 346.519 1.823 20 0 EDADMP CC[NH+](CC)CC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000063732530 441348214 /nfs/dbraw/zinc/34/82/14/441348214.db2.gz MEWGWRRERIMBCP-IBGZPJMESA-N 2 1 346.519 1.823 20 0 EDADMP CC[NH+](CC)CC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000063732530 441348218 /nfs/dbraw/zinc/34/82/18/441348218.db2.gz MEWGWRRERIMBCP-IBGZPJMESA-N 2 1 346.519 1.823 20 0 EDADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000106800791 441372435 /nfs/dbraw/zinc/37/24/35/441372435.db2.gz ONYLFKRWNLQMSA-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000106800791 441372440 /nfs/dbraw/zinc/37/24/40/441372440.db2.gz ONYLFKRWNLQMSA-IBGZPJMESA-N 2 1 344.503 1.357 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NCC[N@@H+](C)C3CC3)cc2)CC1 ZINC000074229092 441411270 /nfs/dbraw/zinc/41/12/70/441411270.db2.gz GLPKWPCRZJZIFS-UHFFFAOYSA-N 2 1 330.476 1.653 20 0 EDADMP CC[N@H+](CC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000051688383 441420938 /nfs/dbraw/zinc/42/09/38/441420938.db2.gz CYROVAQVEAMPFA-QGZVFWFLSA-N 2 1 344.503 1.798 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000051688383 441420943 /nfs/dbraw/zinc/42/09/43/441420943.db2.gz CYROVAQVEAMPFA-QGZVFWFLSA-N 2 1 344.503 1.798 20 0 EDADMP Cc1ccccc1CNC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957996 441429262 /nfs/dbraw/zinc/42/92/62/441429262.db2.gz CCHSZZZPYMWTAN-UHFFFAOYSA-N 2 1 345.487 1.655 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H]1C[NH+]1CCC[C@@H]1CO)C1CC1 ZINC000085401764 441436738 /nfs/dbraw/zinc/43/67/38/441436738.db2.gz HDCAUGGPADITCC-IAGOWNOFSA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+](CCNC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000085401764 441436742 /nfs/dbraw/zinc/43/67/42/441436742.db2.gz HDCAUGGPADITCC-IAGOWNOFSA-N 2 1 338.496 1.101 20 0 EDADMP CC[NH+](CCNC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000085401764 441436746 /nfs/dbraw/zinc/43/67/46/441436746.db2.gz HDCAUGGPADITCC-IAGOWNOFSA-N 2 1 338.496 1.101 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000074616374 441450143 /nfs/dbraw/zinc/45/01/43/441450143.db2.gz PJCYQOIOSZWBPT-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085823892 441452122 /nfs/dbraw/zinc/45/21/22/441452122.db2.gz VREVCCLDQFDYAB-JKSUJKDBSA-N 2 1 331.526 1.322 20 0 EDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085823892 441452127 /nfs/dbraw/zinc/45/21/27/441452127.db2.gz VREVCCLDQFDYAB-JKSUJKDBSA-N 2 1 331.526 1.322 20 0 EDADMP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000108462312 441455577 /nfs/dbraw/zinc/45/55/77/441455577.db2.gz ITXPBDQCEDANKB-SFHVURJKSA-N 2 1 344.503 1.506 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000108462312 441455581 /nfs/dbraw/zinc/45/55/81/441455581.db2.gz ITXPBDQCEDANKB-SFHVURJKSA-N 2 1 344.503 1.506 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000108462312 441455585 /nfs/dbraw/zinc/45/55/85/441455585.db2.gz ITXPBDQCEDANKB-SFHVURJKSA-N 2 1 344.503 1.506 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000108549445 441462975 /nfs/dbraw/zinc/46/29/75/441462975.db2.gz FMVBNFILZOUNLP-MRXNPFEDSA-N 2 1 345.491 1.687 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066920366 441587132 /nfs/dbraw/zinc/58/71/32/441587132.db2.gz XXQUHDOHHNPVNB-FSDCSDTHSA-N 2 1 325.497 1.577 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066920366 441587137 /nfs/dbraw/zinc/58/71/37/441587137.db2.gz XXQUHDOHHNPVNB-FSDCSDTHSA-N 2 1 325.497 1.577 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000055720000 441662161 /nfs/dbraw/zinc/66/21/61/441662161.db2.gz KRHRMPOUQHDSRQ-INIZCTEOSA-N 2 1 333.480 1.089 20 0 EDADMP C[NH+]1CCC([NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000091412933 441699539 /nfs/dbraw/zinc/69/95/39/441699539.db2.gz HDAXWFAAWNAMIS-UHFFFAOYSA-N 2 1 327.450 1.121 20 0 EDADMP COc1cc2[nH+]c(NC[C@@H]3CCC[N@H+](C)C3)nc(N)c2cc1OC ZINC000091482948 441706003 /nfs/dbraw/zinc/70/60/03/441706003.db2.gz WHUBYEXKVXVMTI-NSHDSACASA-N 2 1 331.420 1.983 20 0 EDADMP COc1cc2[nH+]c(NC[C@@H]3CCC[N@@H+](C)C3)nc(N)c2cc1OC ZINC000091482948 441706008 /nfs/dbraw/zinc/70/60/08/441706008.db2.gz WHUBYEXKVXVMTI-NSHDSACASA-N 2 1 331.420 1.983 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173403122 441736190 /nfs/dbraw/zinc/73/61/90/441736190.db2.gz FQONHGGVDRSRGO-GJZGRUSLSA-N 2 1 339.505 1.929 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173403122 441736198 /nfs/dbraw/zinc/73/61/98/441736198.db2.gz FQONHGGVDRSRGO-GJZGRUSLSA-N 2 1 339.505 1.929 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000068080433 441723722 /nfs/dbraw/zinc/72/37/22/441723722.db2.gz WRTFHXUGGZQHAB-IBGZPJMESA-N 2 1 347.503 1.983 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000068080433 441723729 /nfs/dbraw/zinc/72/37/29/441723729.db2.gz WRTFHXUGGZQHAB-IBGZPJMESA-N 2 1 347.503 1.983 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000068080433 441723733 /nfs/dbraw/zinc/72/37/33/441723733.db2.gz WRTFHXUGGZQHAB-IBGZPJMESA-N 2 1 347.503 1.983 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NCCc1nccn1Cc1ccccc1 ZINC000139504908 441819109 /nfs/dbraw/zinc/81/91/09/441819109.db2.gz PXSOEOAFAZEXJX-KRWDZBQOSA-N 2 1 341.459 1.867 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000121784655 441779708 /nfs/dbraw/zinc/77/97/08/441779708.db2.gz OZUZCURTEXFYSD-QFBILLFUSA-N 2 1 344.503 1.776 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000115810212 441779805 /nfs/dbraw/zinc/77/98/05/441779805.db2.gz UGSRCLUPHMNLCF-IKGGRYGDSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000115810212 441779812 /nfs/dbraw/zinc/77/98/12/441779812.db2.gz UGSRCLUPHMNLCF-IKGGRYGDSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000115810212 441779819 /nfs/dbraw/zinc/77/98/19/441779819.db2.gz UGSRCLUPHMNLCF-IKGGRYGDSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)C[NH+]1CCOCC1 ZINC000159186963 441792631 /nfs/dbraw/zinc/79/26/31/441792631.db2.gz SFJRAKGPDCILCY-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)C[NH+]1CCOCC1 ZINC000159186963 441792636 /nfs/dbraw/zinc/79/26/36/441792636.db2.gz SFJRAKGPDCILCY-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000068514938 441810511 /nfs/dbraw/zinc/81/05/11/441810511.db2.gz JCNDVMYJYZMYIW-HKUYNNGSSA-N 2 1 346.519 1.822 20 0 EDADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000093261280 441871229 /nfs/dbraw/zinc/87/12/29/441871229.db2.gz JVADTXNNWIBCSO-UHFFFAOYSA-N 2 1 343.431 1.619 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000173746302 441833365 /nfs/dbraw/zinc/83/33/65/441833365.db2.gz HEBPLLGRHFABIU-SFHVURJKSA-N 2 1 345.491 1.830 20 0 EDADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1C ZINC000123057190 441873908 /nfs/dbraw/zinc/87/39/08/441873908.db2.gz WNWAPVKRUAZNAS-KGLIPLIRSA-N 2 1 341.477 1.127 20 0 EDADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1C ZINC000123057190 441873912 /nfs/dbraw/zinc/87/39/12/441873912.db2.gz WNWAPVKRUAZNAS-KGLIPLIRSA-N 2 1 341.477 1.127 20 0 EDADMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123057190 441873917 /nfs/dbraw/zinc/87/39/17/441873917.db2.gz WNWAPVKRUAZNAS-KGLIPLIRSA-N 2 1 341.477 1.127 20 0 EDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123057190 441873920 /nfs/dbraw/zinc/87/39/20/441873920.db2.gz WNWAPVKRUAZNAS-KGLIPLIRSA-N 2 1 341.477 1.127 20 0 EDADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000118868473 441907975 /nfs/dbraw/zinc/90/79/75/441907975.db2.gz SVMXHQIJVBDRKS-UHFFFAOYSA-N 2 1 332.448 1.388 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000118118412 441891082 /nfs/dbraw/zinc/89/10/82/441891082.db2.gz WLZPMYSQWMCADL-ZDUSSCGKSA-N 2 1 332.448 1.417 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000118118412 441891084 /nfs/dbraw/zinc/89/10/84/441891084.db2.gz WLZPMYSQWMCADL-ZDUSSCGKSA-N 2 1 332.448 1.417 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000118118412 441891089 /nfs/dbraw/zinc/89/10/89/441891089.db2.gz WLZPMYSQWMCADL-ZDUSSCGKSA-N 2 1 332.448 1.417 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000118118412 441891094 /nfs/dbraw/zinc/89/10/94/441891094.db2.gz WLZPMYSQWMCADL-ZDUSSCGKSA-N 2 1 332.448 1.417 20 0 EDADMP CC[C@H]1CN(C(=O)Cc2cn3ccccc3n2)CC[N@H+]1C[C@@H](C)O ZINC000174607318 441944593 /nfs/dbraw/zinc/94/45/93/441944593.db2.gz YVFRGBMXFDAJHK-ZBFHGGJFSA-N 2 1 330.432 1.180 20 0 EDADMP CC[C@H]1CN(C(=O)Cc2cn3ccccc3n2)CCN1C[C@@H](C)O ZINC000174607318 441944598 /nfs/dbraw/zinc/94/45/98/441944598.db2.gz YVFRGBMXFDAJHK-ZBFHGGJFSA-N 2 1 330.432 1.180 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000079093240 442018293 /nfs/dbraw/zinc/01/82/93/442018293.db2.gz KRMIKKVKHWKWSK-YESZJQIVSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000079093240 442018299 /nfs/dbraw/zinc/01/82/99/442018299.db2.gz KRMIKKVKHWKWSK-YESZJQIVSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000079093240 442018303 /nfs/dbraw/zinc/01/83/03/442018303.db2.gz KRMIKKVKHWKWSK-YESZJQIVSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000079100679 442018834 /nfs/dbraw/zinc/01/88/34/442018834.db2.gz FYUJUKSBAIEGKF-RDJZCZTQSA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000079100679 442018839 /nfs/dbraw/zinc/01/88/39/442018839.db2.gz FYUJUKSBAIEGKF-RDJZCZTQSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000079270271 442033888 /nfs/dbraw/zinc/03/38/88/442033888.db2.gz DVTBXEHMZLJDIB-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000079270271 442033893 /nfs/dbraw/zinc/03/38/93/442033893.db2.gz DVTBXEHMZLJDIB-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000126029964 442070824 /nfs/dbraw/zinc/07/08/24/442070824.db2.gz DRQHXBLRQKYNOL-HOCLYGCPSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000162474400 442095805 /nfs/dbraw/zinc/09/58/05/442095805.db2.gz IBBCTULQGRNQQG-IJEWVQPXSA-N 2 1 325.478 1.283 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000126138615 442083062 /nfs/dbraw/zinc/08/30/62/442083062.db2.gz QVMQEIVLEWRCOV-WBVHZDCISA-N 2 1 328.501 1.253 20 0 EDADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1OCC(N)=O ZINC000162673069 442114007 /nfs/dbraw/zinc/11/40/07/442114007.db2.gz GXADAECTLOWBNX-UMVBOHGHSA-N 2 1 335.448 1.378 20 0 EDADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1OCC(N)=O ZINC000162673069 442114009 /nfs/dbraw/zinc/11/40/09/442114009.db2.gz GXADAECTLOWBNX-UMVBOHGHSA-N 2 1 335.448 1.378 20 0 EDADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1OCC(N)=O ZINC000162673190 442114141 /nfs/dbraw/zinc/11/41/41/442114141.db2.gz GXADAECTLOWBNX-VNHYZAJKSA-N 2 1 335.448 1.378 20 0 EDADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1OCC(N)=O ZINC000162673190 442114143 /nfs/dbraw/zinc/11/41/43/442114143.db2.gz GXADAECTLOWBNX-VNHYZAJKSA-N 2 1 335.448 1.378 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000162792445 442122884 /nfs/dbraw/zinc/12/28/84/442122884.db2.gz IWZGTVVVADOEAQ-WDSOQIARSA-N 2 1 348.487 1.989 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000162792445 442122887 /nfs/dbraw/zinc/12/28/87/442122887.db2.gz IWZGTVVVADOEAQ-WDSOQIARSA-N 2 1 348.487 1.989 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000162792445 442122891 /nfs/dbraw/zinc/12/28/91/442122891.db2.gz IWZGTVVVADOEAQ-WDSOQIARSA-N 2 1 348.487 1.989 20 0 EDADMP COc1cccc(COC[C@@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000162797531 442124002 /nfs/dbraw/zinc/12/40/02/442124002.db2.gz PJHWFZPLWOHOIL-HBFSDRIKSA-N 2 1 348.487 1.989 20 0 EDADMP COc1cccc(COC[C@@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000162797531 442124004 /nfs/dbraw/zinc/12/40/04/442124004.db2.gz PJHWFZPLWOHOIL-HBFSDRIKSA-N 2 1 348.487 1.989 20 0 EDADMP COc1cccc(COC[C@@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000162797531 442124009 /nfs/dbraw/zinc/12/40/09/442124009.db2.gz PJHWFZPLWOHOIL-HBFSDRIKSA-N 2 1 348.487 1.989 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000175710320 442108927 /nfs/dbraw/zinc/10/89/27/442108927.db2.gz RHAONRLBQSFGNX-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000175710320 442108934 /nfs/dbraw/zinc/10/89/34/442108934.db2.gz RHAONRLBQSFGNX-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000175710320 442108942 /nfs/dbraw/zinc/10/89/42/442108942.db2.gz RHAONRLBQSFGNX-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000175710320 442108946 /nfs/dbraw/zinc/10/89/46/442108946.db2.gz RHAONRLBQSFGNX-ZWKOTPCHSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H]1CCSC1 ZINC000164276598 442194489 /nfs/dbraw/zinc/19/44/89/442194489.db2.gz MCVDXUUEVKETMX-INIZCTEOSA-N 2 1 325.522 1.758 20 0 EDADMP CN(CC(=O)NCCOc1ccc(F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152347890 442200501 /nfs/dbraw/zinc/20/05/01/442200501.db2.gz ZPOVPFNRDHEAOM-OAHLLOKOSA-N 2 1 337.439 1.594 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166363911 442216631 /nfs/dbraw/zinc/21/66/31/442216631.db2.gz AKVWEAZREXVMSS-JKSUJKDBSA-N 2 1 337.489 1.490 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166363911 442216633 /nfs/dbraw/zinc/21/66/33/442216633.db2.gz AKVWEAZREXVMSS-JKSUJKDBSA-N 2 1 337.489 1.490 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCN1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000128246392 442255194 /nfs/dbraw/zinc/25/51/94/442255194.db2.gz APRPGVJQVJOISA-GOSISDBHSA-N 2 1 336.524 1.537 20 0 EDADMP CC(C)OCCN1CCN(C(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000169271764 442226302 /nfs/dbraw/zinc/22/63/02/442226302.db2.gz IEYVPCDKAYUOIW-GOSISDBHSA-N 2 1 331.460 1.270 20 0 EDADMP C[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000177051529 442290794 /nfs/dbraw/zinc/29/07/94/442290794.db2.gz TZBCOEMODMMTPJ-HNNXBMFYSA-N 2 1 336.455 1.010 20 0 EDADMP C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000177051529 442290797 /nfs/dbraw/zinc/29/07/97/442290797.db2.gz TZBCOEMODMMTPJ-HNNXBMFYSA-N 2 1 336.455 1.010 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCN(C(N)=O)CC2)cc1F ZINC000153692661 442296749 /nfs/dbraw/zinc/29/67/49/442296749.db2.gz MIAHAVWEOWOLLY-UHFFFAOYSA-N 2 1 331.395 1.953 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177122992 442300949 /nfs/dbraw/zinc/30/09/49/442300949.db2.gz DEAZZPLWWYJKGC-UHFFFAOYSA-N 2 1 335.496 1.539 20 0 EDADMP C[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000155490680 442402577 /nfs/dbraw/zinc/40/25/77/442402577.db2.gz QJLIELPWBHDVPG-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000155490680 442402578 /nfs/dbraw/zinc/40/25/78/442402578.db2.gz QJLIELPWBHDVPG-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000171592994 442360766 /nfs/dbraw/zinc/36/07/66/442360766.db2.gz JJVMINGSSOQWNV-GDBMZVCRSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000171592994 442360770 /nfs/dbraw/zinc/36/07/70/442360770.db2.gz JJVMINGSSOQWNV-GDBMZVCRSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000171592994 442360772 /nfs/dbraw/zinc/36/07/72/442360772.db2.gz JJVMINGSSOQWNV-GDBMZVCRSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000133521879 442422675 /nfs/dbraw/zinc/42/26/75/442422675.db2.gz YXSPRMMAFAQWCU-OCCSQVGLSA-N 2 1 339.530 1.706 20 0 EDADMP C[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000133521879 442422677 /nfs/dbraw/zinc/42/26/77/442422677.db2.gz YXSPRMMAFAQWCU-OCCSQVGLSA-N 2 1 339.530 1.706 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178857108 442504619 /nfs/dbraw/zinc/50/46/19/442504619.db2.gz IUJAUQZYDNAKAG-HRCADAONSA-N 2 1 325.497 1.580 20 0 EDADMP CCCN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000178890532 442516639 /nfs/dbraw/zinc/51/66/39/442516639.db2.gz GZXLPTGYBFEPOW-LJQANCHMSA-N 2 1 344.503 1.405 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000180021728 442530155 /nfs/dbraw/zinc/53/01/55/442530155.db2.gz MWBZIMHKSABCPS-HOCLYGCPSA-N 2 1 331.526 1.509 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000180021728 442530158 /nfs/dbraw/zinc/53/01/58/442530158.db2.gz MWBZIMHKSABCPS-HOCLYGCPSA-N 2 1 331.526 1.509 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000186976342 442637990 /nfs/dbraw/zinc/63/79/90/442637990.db2.gz GZXKVSJINFPHOB-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000136296816 442658343 /nfs/dbraw/zinc/65/83/43/442658343.db2.gz ILEBIXRVRADCLK-UHFFFAOYSA-N 2 1 336.461 1.492 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000136296816 442658345 /nfs/dbraw/zinc/65/83/45/442658345.db2.gz ILEBIXRVRADCLK-UHFFFAOYSA-N 2 1 336.461 1.492 20 0 EDADMP C[C@H]1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H]1n1ccnc1 ZINC000136097452 442650019 /nfs/dbraw/zinc/65/00/19/442650019.db2.gz NPMMCRLKQZCZNI-UAGQMJEPSA-N 2 1 342.447 1.695 20 0 EDADMP CC(C)N1CC[NH+](CCCN2CCNC(=O)[C@@H]2c2ccccc2)CC1 ZINC000192770181 442684812 /nfs/dbraw/zinc/68/48/12/442684812.db2.gz XKFXFQDORYKKDC-IBGZPJMESA-N 2 1 344.503 1.576 20 0 EDADMP CC(C)N1CC[NH+](CCCN2CCNC(=O)[C@H]2c2ccccc2)CC1 ZINC000192770193 442684877 /nfs/dbraw/zinc/68/48/77/442684877.db2.gz XKFXFQDORYKKDC-LJQANCHMSA-N 2 1 344.503 1.576 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)OCc3ccccc3)C2)CC1 ZINC000181454266 442698222 /nfs/dbraw/zinc/69/82/22/442698222.db2.gz BVMHPTWFZNDGEZ-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP C[C@H]([NH3+])CCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000193317958 442732288 /nfs/dbraw/zinc/73/22/88/442732288.db2.gz XGWMNBUUWKGKNW-YOEHRIQHSA-N 2 1 346.475 1.919 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC([C@@H]4CCCO4)CC3)cn2)CC1 ZINC000188284771 442733865 /nfs/dbraw/zinc/73/38/65/442733865.db2.gz PFOBLTGFWUOVEB-SFHVURJKSA-N 2 1 345.491 1.619 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000193503456 442749055 /nfs/dbraw/zinc/74/90/55/442749055.db2.gz CBJHUZFMGSSDFD-YJBOKZPZSA-N 2 1 330.476 1.304 20 0 EDADMP Cc1cc(=O)n2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)sc2n1 ZINC000193081172 442711531 /nfs/dbraw/zinc/71/15/31/442711531.db2.gz CTQPJRHUSFHROF-UHFFFAOYSA-N 2 1 347.488 1.767 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000182656633 442802377 /nfs/dbraw/zinc/80/23/77/442802377.db2.gz MUAMBOLQZKJYOH-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C[C@@H]2C1 ZINC000193622625 442760523 /nfs/dbraw/zinc/76/05/23/442760523.db2.gz JMQXDBRTPGNFGJ-DAYGRLMNSA-N 2 1 349.425 1.949 20 0 EDADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C[C@@H]2C1 ZINC000193622625 442760524 /nfs/dbraw/zinc/76/05/24/442760524.db2.gz JMQXDBRTPGNFGJ-DAYGRLMNSA-N 2 1 349.425 1.949 20 0 EDADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C[C@@H]2C1 ZINC000193622625 442760526 /nfs/dbraw/zinc/76/05/26/442760526.db2.gz JMQXDBRTPGNFGJ-DAYGRLMNSA-N 2 1 349.425 1.949 20 0 EDADMP CCc1nc2ccccc2n1CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188788797 442813371 /nfs/dbraw/zinc/81/33/71/442813371.db2.gz YHYTZZJKDWPSPP-CQSZACIVSA-N 2 1 330.432 1.124 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000268143985 442868761 /nfs/dbraw/zinc/86/87/61/442868761.db2.gz DVYYUFOCMUVDBW-ATZDWAIDSA-N 2 1 343.471 1.486 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000268143985 442868763 /nfs/dbraw/zinc/86/87/63/442868763.db2.gz DVYYUFOCMUVDBW-ATZDWAIDSA-N 2 1 343.471 1.486 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000268143985 442868765 /nfs/dbraw/zinc/86/87/65/442868765.db2.gz DVYYUFOCMUVDBW-ATZDWAIDSA-N 2 1 343.471 1.486 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000268143985 442868767 /nfs/dbraw/zinc/86/87/67/442868767.db2.gz DVYYUFOCMUVDBW-ATZDWAIDSA-N 2 1 343.471 1.486 20 0 EDADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182957883 442854366 /nfs/dbraw/zinc/85/43/66/442854366.db2.gz CLCAKMOQMOZOOW-KRWDZBQOSA-N 2 1 338.540 1.735 20 0 EDADMP CC(C)CO[C@@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000181686919 318487829 /nfs/dbraw/zinc/48/78/29/318487829.db2.gz GPFSBXGHCADRED-JKSUJKDBSA-N 2 1 325.497 1.580 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000183220383 442906090 /nfs/dbraw/zinc/90/60/90/442906090.db2.gz XPDZAESIKVAPOH-MRXNPFEDSA-N 2 1 348.491 1.826 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000182656650 318509499 /nfs/dbraw/zinc/50/94/99/318509499.db2.gz MUAMBOLQZKJYOH-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000265916944 442968325 /nfs/dbraw/zinc/96/83/25/442968325.db2.gz STVZLRIZDBSCCB-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000265916944 442968327 /nfs/dbraw/zinc/96/83/27/442968327.db2.gz STVZLRIZDBSCCB-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265916944 442968331 /nfs/dbraw/zinc/96/83/31/442968331.db2.gz STVZLRIZDBSCCB-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265916944 442968333 /nfs/dbraw/zinc/96/83/33/442968333.db2.gz STVZLRIZDBSCCB-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)[NH+]1CCc2sccc2C1 ZINC000195130175 442987075 /nfs/dbraw/zinc/98/70/75/442987075.db2.gz VSEPPRBJPWLBIA-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)[NH+]1CCc2sccc2C1 ZINC000195130175 442987080 /nfs/dbraw/zinc/98/70/80/442987080.db2.gz VSEPPRBJPWLBIA-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH+]1C)[N@@H+]1CCc2sccc2C1 ZINC000195130175 442987085 /nfs/dbraw/zinc/98/70/85/442987085.db2.gz VSEPPRBJPWLBIA-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH+]1C)[N@H+]1CCc2sccc2C1 ZINC000195130175 442987090 /nfs/dbraw/zinc/98/70/90/442987090.db2.gz VSEPPRBJPWLBIA-DZGCQCFKSA-N 2 1 336.505 1.888 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000619065559 450398663 /nfs/dbraw/zinc/39/86/63/450398663.db2.gz IJVLLFCSRRVNKE-SFHVURJKSA-N 2 1 342.487 1.552 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000619065559 450398666 /nfs/dbraw/zinc/39/86/66/450398666.db2.gz IJVLLFCSRRVNKE-SFHVURJKSA-N 2 1 342.487 1.552 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000268770349 443103509 /nfs/dbraw/zinc/10/35/09/443103509.db2.gz POCICCOLOSWJTP-YAJHFMINSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000268770349 443103510 /nfs/dbraw/zinc/10/35/10/443103510.db2.gz POCICCOLOSWJTP-YAJHFMINSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000268770349 443103515 /nfs/dbraw/zinc/10/35/15/443103515.db2.gz POCICCOLOSWJTP-YAJHFMINSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000268770349 443103518 /nfs/dbraw/zinc/10/35/18/443103518.db2.gz POCICCOLOSWJTP-YAJHFMINSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000268770349 443103521 /nfs/dbraw/zinc/10/35/21/443103521.db2.gz POCICCOLOSWJTP-YAJHFMINSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000268794365 443111153 /nfs/dbraw/zinc/11/11/53/443111153.db2.gz FDCKBHRFYCMDST-WMZOPIPTSA-N 2 1 345.487 1.769 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000190515389 443124414 /nfs/dbraw/zinc/12/44/14/443124414.db2.gz PKCJTMOUYVTXAI-QGZVFWFLSA-N 2 1 325.497 1.414 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237332200 443168991 /nfs/dbraw/zinc/16/89/91/443168991.db2.gz IRMTVCJSHWBWNU-HRCADAONSA-N 2 1 333.476 1.768 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237332200 443168993 /nfs/dbraw/zinc/16/89/93/443168993.db2.gz IRMTVCJSHWBWNU-HRCADAONSA-N 2 1 333.476 1.768 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000237185029 443162486 /nfs/dbraw/zinc/16/24/86/443162486.db2.gz DNZIIMQMJVGJIA-JYJNAYRXSA-N 2 1 333.476 1.881 20 0 EDADMP C[C@H](C(=O)N1CCC(OCCC[NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000269187806 443226301 /nfs/dbraw/zinc/22/63/01/443226301.db2.gz GZKKSIHRMYPWPY-MRXNPFEDSA-N 2 1 333.476 1.863 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000245483265 443231366 /nfs/dbraw/zinc/23/13/66/443231366.db2.gz FBKOXPGFIFVWSJ-ZWKOTPCHSA-N 2 1 332.492 1.907 20 0 EDADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000262509207 443198893 /nfs/dbraw/zinc/19/88/93/443198893.db2.gz LVLYGRSZDFKMRL-QZTJIDSGSA-N 2 1 333.476 1.648 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C)nc1 ZINC000266683315 443207193 /nfs/dbraw/zinc/20/71/93/443207193.db2.gz ROWVPSJAFIJOKR-SFHVURJKSA-N 2 1 347.507 1.948 20 0 EDADMP C[NH+]1CCC(N2CCC([NH2+]Cc3cn(C(C)(C)C)nn3)CC2)CC1 ZINC000190911823 443208971 /nfs/dbraw/zinc/20/89/71/443208971.db2.gz HLVIJWMPGGJCRJ-UHFFFAOYSA-N 2 1 334.512 1.681 20 0 EDADMP CC1(C)CN(C(=O)COC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000382690258 319124276 /nfs/dbraw/zinc/12/42/76/319124276.db2.gz BECJAKUOUNTOAN-UHFFFAOYSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000382719093 319124703 /nfs/dbraw/zinc/12/47/03/319124703.db2.gz JVUFSVXDGGLGIV-NXHRZFHOSA-N 2 1 331.460 1.616 20 0 EDADMP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccn(C)n1 ZINC000414090763 319317063 /nfs/dbraw/zinc/31/70/63/319317063.db2.gz CJGGCPQNMNWNRT-YJBOKZPZSA-N 2 1 343.475 1.360 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)oc1C ZINC000414684764 319342377 /nfs/dbraw/zinc/34/23/77/319342377.db2.gz WPEQVEXDQNKZIC-CYBMUJFWSA-N 2 1 337.420 1.004 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415236393 319355074 /nfs/dbraw/zinc/35/50/74/319355074.db2.gz FMBFRQMINUVZCE-CQSZACIVSA-N 2 1 346.475 1.507 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC[N@H+]1C[C@@H](C)O ZINC000415972211 319386727 /nfs/dbraw/zinc/38/67/27/319386727.db2.gz MEXNWBPTWYQCOU-RHSMWYFYSA-N 2 1 334.464 1.715 20 0 EDADMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000266863867 443271308 /nfs/dbraw/zinc/27/13/08/443271308.db2.gz VGBQGVOYLHHIMM-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000266863867 443271313 /nfs/dbraw/zinc/27/13/13/443271313.db2.gz VGBQGVOYLHHIMM-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000266863867 443271317 /nfs/dbraw/zinc/27/13/17/443271317.db2.gz VGBQGVOYLHHIMM-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000266863867 443271322 /nfs/dbraw/zinc/27/13/22/443271322.db2.gz VGBQGVOYLHHIMM-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000415991486 319388034 /nfs/dbraw/zinc/38/80/34/319388034.db2.gz PHUDYMHTTBAXDM-SFHVURJKSA-N 2 1 347.507 1.800 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000416921267 319474935 /nfs/dbraw/zinc/47/49/35/319474935.db2.gz NHMDFUYYWATTFR-KBXIAJHMSA-N 2 1 326.485 1.253 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCCC[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000416936451 319478694 /nfs/dbraw/zinc/47/86/94/319478694.db2.gz YDVZRLOLCNWKGK-OAGGEKHMSA-N 2 1 340.512 1.706 20 0 EDADMP Cc1nc(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)n[nH]1 ZINC000272477093 443332135 /nfs/dbraw/zinc/33/21/35/443332135.db2.gz XZULWXLVOYZGJM-UHFFFAOYSA-N 2 1 342.491 1.976 20 0 EDADMP Cc1nnc(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)[nH]1 ZINC000272477093 443332139 /nfs/dbraw/zinc/33/21/39/443332139.db2.gz XZULWXLVOYZGJM-UHFFFAOYSA-N 2 1 342.491 1.976 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000264577592 443333414 /nfs/dbraw/zinc/33/34/14/443333414.db2.gz ZFWNTNQSLWMELO-LPHOPBHVSA-N 2 1 345.487 1.817 20 0 EDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423498754 319778658 /nfs/dbraw/zinc/77/86/58/319778658.db2.gz BYLDSVIUYMZPSN-JKSUJKDBSA-N 2 1 338.293 1.800 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC[N@H+]1C ZINC000279219305 443539403 /nfs/dbraw/zinc/53/94/03/443539403.db2.gz OUIOYEQALMDRSE-HOTGVXAUSA-N 2 1 330.476 1.893 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000264963973 443493609 /nfs/dbraw/zinc/49/36/09/443493609.db2.gz ATQWZCMHBCHGRW-GOSISDBHSA-N 2 1 330.476 1.641 20 0 EDADMP C[NH+](C)C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000265414914 443634718 /nfs/dbraw/zinc/63/47/18/443634718.db2.gz ICBFEEPJDADKJZ-ROUUACIJSA-N 2 1 346.475 1.233 20 0 EDADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000274563423 443608218 /nfs/dbraw/zinc/60/82/18/443608218.db2.gz AACBASGKFQHLSI-NEPXVJNWSA-N 2 1 345.487 1.780 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000445838726 320130483 /nfs/dbraw/zinc/13/04/83/320130483.db2.gz AQJRXTURQXEKON-GASCZTMLSA-N 2 1 326.485 1.269 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1cccc(F)c1 ZINC000457482274 320327702 /nfs/dbraw/zinc/32/77/02/320327702.db2.gz PJIZTSSMPZVVGN-BHYGNILZSA-N 2 1 334.439 1.774 20 0 EDADMP C[C@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)CC[N@H+](C2CC2)C1 ZINC000457734132 320334162 /nfs/dbraw/zinc/33/41/62/320334162.db2.gz FSIPDENYDYRBBL-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C[C@@H](C)C1 ZINC000489563650 320361452 /nfs/dbraw/zinc/36/14/52/320361452.db2.gz QXZOFIUQGQDNCQ-WXQHOCMDSA-N 2 1 334.508 1.983 20 0 EDADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000489563650 320361453 /nfs/dbraw/zinc/36/14/53/320361453.db2.gz QXZOFIUQGQDNCQ-WXQHOCMDSA-N 2 1 334.508 1.983 20 0 EDADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000489563650 320361454 /nfs/dbraw/zinc/36/14/54/320361454.db2.gz QXZOFIUQGQDNCQ-WXQHOCMDSA-N 2 1 334.508 1.983 20 0 EDADMP C[C@@H](O)CNc1cc(NC2CCN(Cc3ccccn3)CC2)ncn1 ZINC000298283820 443737620 /nfs/dbraw/zinc/73/76/20/443737620.db2.gz PWSJXZYCKOIYDA-CQSZACIVSA-N 2 1 342.447 1.741 20 0 EDADMP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000276537137 443739544 /nfs/dbraw/zinc/73/95/44/443739544.db2.gz DEIGISALFPAGPN-INIZCTEOSA-N 2 1 343.471 1.169 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000288267504 443826036 /nfs/dbraw/zinc/82/60/36/443826036.db2.gz VHBWYOOGIWJLAF-MRXNPFEDSA-N 2 1 349.479 1.031 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000288267504 443826041 /nfs/dbraw/zinc/82/60/41/443826041.db2.gz VHBWYOOGIWJLAF-MRXNPFEDSA-N 2 1 349.479 1.031 20 0 EDADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[NH+](C)CC1 ZINC000298657210 443830773 /nfs/dbraw/zinc/83/07/73/443830773.db2.gz UMHHJZKJBQWIOG-UHFFFAOYSA-N 2 1 348.491 1.864 20 0 EDADMP COc1cc(C[NH+]2CCC[C@@H]2CO)cc(C[N@H+]2CCC[C@@H]2CO)c1 ZINC000292658436 443810406 /nfs/dbraw/zinc/81/04/06/443810406.db2.gz PQRDHFNPULIVKL-QZTJIDSGSA-N 2 1 334.460 1.609 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)n1C ZINC000531438993 320660578 /nfs/dbraw/zinc/66/05/78/320660578.db2.gz UWDRTFCSSWGTQC-UHFFFAOYSA-N 2 1 348.495 1.504 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000288502911 443900986 /nfs/dbraw/zinc/90/09/86/443900986.db2.gz BJNRDSBVAGTALF-SJORKVTESA-N 2 1 347.459 1.390 20 0 EDADMP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000281627797 443963634 /nfs/dbraw/zinc/96/36/34/443963634.db2.gz CVXUQALMWQOALY-ZWKOTPCHSA-N 2 1 331.460 1.475 20 0 EDADMP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000281627797 443963636 /nfs/dbraw/zinc/96/36/36/443963636.db2.gz CVXUQALMWQOALY-ZWKOTPCHSA-N 2 1 331.460 1.475 20 0 EDADMP CCOC(=O)CCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285406616 443973135 /nfs/dbraw/zinc/97/31/35/443973135.db2.gz BDZCONKWBWTJMS-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP CCOC(=O)CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285406616 443973145 /nfs/dbraw/zinc/97/31/45/443973145.db2.gz BDZCONKWBWTJMS-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP [NH3+]C[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000557119763 321000006 /nfs/dbraw/zinc/00/00/06/321000006.db2.gz SEVYFJJKVAJRDZ-SFHVURJKSA-N 2 1 346.475 1.399 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000562674416 321068667 /nfs/dbraw/zinc/06/86/67/321068667.db2.gz DJGCAKKMMMTORV-HZPDHXFCSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000562674416 321068669 /nfs/dbraw/zinc/06/86/69/321068669.db2.gz DJGCAKKMMMTORV-HZPDHXFCSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000562674416 321068670 /nfs/dbraw/zinc/06/86/70/321068670.db2.gz DJGCAKKMMMTORV-HZPDHXFCSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562804056 321077195 /nfs/dbraw/zinc/07/71/95/321077195.db2.gz LIPHSOAEMNSRJM-HLLBOEOZSA-N 2 1 334.464 1.265 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562804056 321077197 /nfs/dbraw/zinc/07/71/97/321077197.db2.gz LIPHSOAEMNSRJM-HLLBOEOZSA-N 2 1 334.464 1.265 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000563932148 321116039 /nfs/dbraw/zinc/11/60/39/321116039.db2.gz LSFXVVRGQOMGLH-QGZVFWFLSA-N 2 1 325.497 1.583 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000565041402 321166010 /nfs/dbraw/zinc/16/60/10/321166010.db2.gz QZMDKHXMEOYXAQ-LPHOPBHVSA-N 2 1 330.476 1.455 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000567746437 321257591 /nfs/dbraw/zinc/25/75/91/321257591.db2.gz CTDXSRRJRJJHMT-HUUCEWRRSA-N 2 1 338.521 1.541 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000567842607 321261890 /nfs/dbraw/zinc/26/18/90/321261890.db2.gz UJSFROAXXIQMLG-DOTOQJQBSA-N 2 1 330.476 1.094 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000568201049 321280100 /nfs/dbraw/zinc/28/01/00/321280100.db2.gz GFUQCOAUJKMHDG-UHFFFAOYSA-N 2 1 333.480 1.535 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)[N@H+](C)C1 ZINC000285769893 444102469 /nfs/dbraw/zinc/10/24/69/444102469.db2.gz BJFULGXWXIAAQZ-SOUVJXGZSA-N 2 1 338.452 1.243 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)[N@@H+](C)C1 ZINC000285769893 444102474 /nfs/dbraw/zinc/10/24/74/444102474.db2.gz BJFULGXWXIAAQZ-SOUVJXGZSA-N 2 1 338.452 1.243 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000570572091 321348954 /nfs/dbraw/zinc/34/89/54/321348954.db2.gz XUSBXIRLKVSJMI-YVGWZWDYSA-N 2 1 343.471 1.965 20 0 EDADMP COC[C@]1(CNC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CCC[NH2+]1 ZINC000570942803 321365700 /nfs/dbraw/zinc/36/57/00/321365700.db2.gz HQFCXZWSTCLXST-LISAXSMJSA-N 2 1 338.496 1.127 20 0 EDADMP CN(CCC[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O)CC[NH+](C)C ZINC000289457158 444150021 /nfs/dbraw/zinc/15/00/21/444150021.db2.gz PTCSKCXYSUKTEP-GOSISDBHSA-N 2 1 332.492 1.607 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C(=O)OC)[nH]1 ZINC000289460453 444150167 /nfs/dbraw/zinc/15/01/67/444150167.db2.gz OJJFLSAUTRXAAB-MRXNPFEDSA-N 2 1 336.480 1.649 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccnn1-c1ccccc1 ZINC000289495447 444158759 /nfs/dbraw/zinc/15/87/59/444158759.db2.gz SFCCYKZQNAKODB-UHFFFAOYSA-N 2 1 327.476 1.942 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000285987595 444170383 /nfs/dbraw/zinc/17/03/83/444170383.db2.gz NIEGDASLJOQRJQ-GDBMZVCRSA-N 2 1 349.479 1.029 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000285987595 444170387 /nfs/dbraw/zinc/17/03/87/444170387.db2.gz NIEGDASLJOQRJQ-GDBMZVCRSA-N 2 1 349.479 1.029 20 0 EDADMP Cc1ccccc1-n1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)nn1 ZINC000289642174 444185188 /nfs/dbraw/zinc/18/51/88/444185188.db2.gz HDXGUGHWPYSWLR-GOSISDBHSA-N 2 1 343.475 1.902 20 0 EDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000289757977 444199435 /nfs/dbraw/zinc/19/94/35/444199435.db2.gz MXEXMUVLTAEOCK-CXAGYDPISA-N 2 1 337.489 1.643 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000290300895 444264612 /nfs/dbraw/zinc/26/46/12/444264612.db2.gz NOTBRKQYTMMLRU-ZIAGYGMSSA-N 2 1 341.839 1.339 20 0 EDADMP C[C@H](O)C[C@H]1CCC[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000305219202 444265850 /nfs/dbraw/zinc/26/58/50/444265850.db2.gz KLUYWTRERCWALK-DLBZAZTESA-N 2 1 346.475 1.356 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](O)C1 ZINC000303043482 444233334 /nfs/dbraw/zinc/23/33/34/444233334.db2.gz QRFCKHWYRPVJGE-BPQIPLTHSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](O)C1 ZINC000303043482 444233337 /nfs/dbraw/zinc/23/33/37/444233337.db2.gz QRFCKHWYRPVJGE-BPQIPLTHSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](O)C1 ZINC000303043482 444233339 /nfs/dbraw/zinc/23/33/39/444233339.db2.gz QRFCKHWYRPVJGE-BPQIPLTHSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](O)C1 ZINC000303043482 444233342 /nfs/dbraw/zinc/23/33/42/444233342.db2.gz QRFCKHWYRPVJGE-BPQIPLTHSA-N 2 1 331.460 1.222 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C[C@H](C)O)C2CCCCC2)CC1 ZINC000303973437 444238078 /nfs/dbraw/zinc/23/80/78/444238078.db2.gz GWLAFWFDCKLKJN-HNNXBMFYSA-N 2 1 325.497 1.602 20 0 EDADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000296597416 444242254 /nfs/dbraw/zinc/24/22/54/444242254.db2.gz SMIZTJDXCVDIMT-RHSMWYFYSA-N 2 1 325.416 1.824 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000296597416 444242256 /nfs/dbraw/zinc/24/22/56/444242256.db2.gz SMIZTJDXCVDIMT-RHSMWYFYSA-N 2 1 325.416 1.824 20 0 EDADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000290128911 444245826 /nfs/dbraw/zinc/24/58/26/444245826.db2.gz LRCYOZHTQQCRQC-HOTGVXAUSA-N 2 1 339.867 1.784 20 0 EDADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000290128911 444245827 /nfs/dbraw/zinc/24/58/27/444245827.db2.gz LRCYOZHTQQCRQC-HOTGVXAUSA-N 2 1 339.867 1.784 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@H+](C[C@@H](O)c3ccccc3F)C2)CC1 ZINC000305804292 444281329 /nfs/dbraw/zinc/28/13/29/444281329.db2.gz FUKHUWZETFNQTK-QFBILLFUSA-N 2 1 335.467 1.961 20 0 EDADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](C[C@@H](O)c3ccccc3F)C2)CC1 ZINC000305804292 444281330 /nfs/dbraw/zinc/28/13/30/444281330.db2.gz FUKHUWZETFNQTK-QFBILLFUSA-N 2 1 335.467 1.961 20 0 EDADMP CCn1nc(C)c(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1C ZINC000307976450 444288655 /nfs/dbraw/zinc/28/86/55/444288655.db2.gz WDLPGTROXDBYDO-SJLPKXTDSA-N 2 1 347.507 1.600 20 0 EDADMP [NH3+][C@@H](CC(F)F)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000323427942 444343278 /nfs/dbraw/zinc/34/32/78/444343278.db2.gz VNQJBFCHPMRIQD-AWEZNQCLSA-N 2 1 327.375 1.118 20 0 EDADMP C[C@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CC[NH+](Cc2ccccc2)C1 ZINC000323493854 444343618 /nfs/dbraw/zinc/34/36/18/444343618.db2.gz SUQIFTZJCUSPLK-YLJYHZDGSA-N 2 1 331.504 1.895 20 0 EDADMP C[C@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000323493854 444343619 /nfs/dbraw/zinc/34/36/19/444343619.db2.gz SUQIFTZJCUSPLK-YLJYHZDGSA-N 2 1 331.504 1.895 20 0 EDADMP C[C@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000323493854 444343620 /nfs/dbraw/zinc/34/36/20/444343620.db2.gz SUQIFTZJCUSPLK-YLJYHZDGSA-N 2 1 331.504 1.895 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NCCCOC3CCCCC3)C[C@@H]21 ZINC000342150169 444536068 /nfs/dbraw/zinc/53/60/68/444536068.db2.gz XDUCQENRFDIXJB-RYQLBKOJSA-N 2 1 337.508 1.901 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H]1NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000343761783 444571341 /nfs/dbraw/zinc/57/13/41/444571341.db2.gz HZPXOQIXLXGYFB-FHLIZLRMSA-N 2 1 331.460 1.635 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000343761783 444571344 /nfs/dbraw/zinc/57/13/44/444571344.db2.gz HZPXOQIXLXGYFB-FHLIZLRMSA-N 2 1 331.460 1.635 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[C@H]1C ZINC000333263143 444651577 /nfs/dbraw/zinc/65/15/77/444651577.db2.gz FEPINOJYLGJZCZ-KGLIPLIRSA-N 2 1 348.447 1.087 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@@H](C)O1 ZINC000333465161 444673665 /nfs/dbraw/zinc/67/36/65/444673665.db2.gz ZUXQCBNHVDKNFA-FPCVCCKLSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333123066 444640358 /nfs/dbraw/zinc/64/03/58/444640358.db2.gz ASIMQTWSLJHAQG-DXEWXGHRSA-N 2 1 336.480 1.007 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)CN1c1cncc(N2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000342547018 444739398 /nfs/dbraw/zinc/73/93/98/444739398.db2.gz PXKOTDDJOSKJEY-QKPAOTATSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1c1cncc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000342547018 444739402 /nfs/dbraw/zinc/73/94/02/444739402.db2.gz PXKOTDDJOSKJEY-QKPAOTATSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1c1cncc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000342547018 444739404 /nfs/dbraw/zinc/73/94/04/444739404.db2.gz PXKOTDDJOSKJEY-QKPAOTATSA-N 2 1 332.496 1.534 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)n3ccnc32)CC[N@H+]1C[C@@H](C)O ZINC000334073996 444771485 /nfs/dbraw/zinc/77/14/85/444771485.db2.gz JBCAKSVIXPGWLU-KBUPBQIOSA-N 2 1 335.452 1.376 20 0 EDADMP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344133803 444799015 /nfs/dbraw/zinc/79/90/15/444799015.db2.gz POFWWLNXOPWXDL-QGZVFWFLSA-N 2 1 345.553 1.856 20 0 EDADMP CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344133803 444799017 /nfs/dbraw/zinc/79/90/17/444799017.db2.gz POFWWLNXOPWXDL-QGZVFWFLSA-N 2 1 345.553 1.856 20 0 EDADMP C[C@@H]1C[C@H](CO)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000344174543 444822141 /nfs/dbraw/zinc/82/21/41/444822141.db2.gz QVLAFDGKHSNJGG-NUJGCVRESA-N 2 1 333.476 1.498 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000330084175 444838546 /nfs/dbraw/zinc/83/85/46/444838546.db2.gz KYMNYODHLXLISU-JKSUJKDBSA-N 2 1 331.464 1.384 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000342814436 444877144 /nfs/dbraw/zinc/87/71/44/444877144.db2.gz XITWLWYPDRELRN-IBGZPJMESA-N 2 1 345.487 1.530 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000344188531 444829426 /nfs/dbraw/zinc/82/94/26/444829426.db2.gz FZKXRUIKAZGIGN-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000344188531 444829430 /nfs/dbraw/zinc/82/94/30/444829430.db2.gz FZKXRUIKAZGIGN-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000344188531 444829434 /nfs/dbraw/zinc/82/94/34/444829434.db2.gz FZKXRUIKAZGIGN-DLBZAZTESA-N 2 1 325.497 1.724 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000330539251 445024735 /nfs/dbraw/zinc/02/47/35/445024735.db2.gz YOKQIUYHQMCDST-LSDHHAIUSA-N 2 1 329.448 1.463 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@](O)(C(F)(F)F)C2)CC1 ZINC000337261406 445007632 /nfs/dbraw/zinc/00/76/32/445007632.db2.gz XWXGWNZIXAQJHT-OAHLLOKOSA-N 2 1 337.430 1.792 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000341903211 445063286 /nfs/dbraw/zinc/06/32/86/445063286.db2.gz TYAUUCCWBZDWBK-KFWWJZLASA-N 2 1 336.480 1.559 20 0 EDADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CCN4CCOC[C@H]4C3)C2)cc1 ZINC000341909946 445066877 /nfs/dbraw/zinc/06/68/77/445066877.db2.gz NBQUAVKQOIDBRA-UXHICEINSA-N 2 1 345.487 1.294 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000341915678 445070146 /nfs/dbraw/zinc/07/01/46/445070146.db2.gz DGIAEIKMPVHGCQ-IAGOWNOFSA-N 2 1 325.497 1.726 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCCCOc3ccccc3F)C[C@@H]21 ZINC000342082902 445162311 /nfs/dbraw/zinc/16/23/11/445162311.db2.gz JIABRVPSOCTVTN-HLLBOEOZSA-N 2 1 349.450 1.770 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000342047482 445142865 /nfs/dbraw/zinc/14/28/65/445142865.db2.gz WWEXFKDGBIJSLK-MRXNPFEDSA-N 2 1 340.512 1.023 20 0 EDADMP CCNC(=O)C[C@H]1CCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000342050424 445145297 /nfs/dbraw/zinc/14/52/97/445145297.db2.gz QXQLQEVULZVZBD-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000344862833 445146703 /nfs/dbraw/zinc/14/67/03/445146703.db2.gz OWKNSGPKFBADJS-LPHOPBHVSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000344862833 445146707 /nfs/dbraw/zinc/14/67/07/445146707.db2.gz OWKNSGPKFBADJS-LPHOPBHVSA-N 2 1 345.487 1.737 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NCC3=CC[N@@H+](C)CC3)cc2)CC1 ZINC000343347809 445206823 /nfs/dbraw/zinc/20/68/23/445206823.db2.gz SBOFYBRWZNMASX-UHFFFAOYSA-N 2 1 342.487 1.820 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000346395210 445213506 /nfs/dbraw/zinc/21/35/06/445213506.db2.gz RGFQVNVQZNDKSL-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000346395210 445213507 /nfs/dbraw/zinc/21/35/07/445213507.db2.gz RGFQVNVQZNDKSL-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP CC[NH+]1C[C@H](C)N(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000346395210 445213508 /nfs/dbraw/zinc/21/35/08/445213508.db2.gz RGFQVNVQZNDKSL-YESZJQIVSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000345677466 445195668 /nfs/dbraw/zinc/19/56/68/445195668.db2.gz ZHUDUKXQOONSAY-MJGOQNOKSA-N 2 1 347.503 1.980 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000345677466 445195669 /nfs/dbraw/zinc/19/56/69/445195669.db2.gz ZHUDUKXQOONSAY-MJGOQNOKSA-N 2 1 347.503 1.980 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000345677466 445195671 /nfs/dbraw/zinc/19/56/71/445195671.db2.gz ZHUDUKXQOONSAY-MJGOQNOKSA-N 2 1 347.503 1.980 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC2)C[C@H](C)O1 ZINC000345704240 445196632 /nfs/dbraw/zinc/19/66/32/445196632.db2.gz FQKIUWFOWNVIPR-GUTXKFCHSA-N 2 1 347.450 1.707 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000347686785 445244901 /nfs/dbraw/zinc/24/49/01/445244901.db2.gz ACRPRFXYFYNWGY-HOTGVXAUSA-N 2 1 325.497 1.581 20 0 EDADMP CO[C@@H](C)C[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000354465165 445249071 /nfs/dbraw/zinc/24/90/71/445249071.db2.gz UVWSFHHVRBZBPK-IRXDYDNUSA-N 2 1 343.512 1.205 20 0 EDADMP CO[C@@H](C)C[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000354465165 445249073 /nfs/dbraw/zinc/24/90/73/445249073.db2.gz UVWSFHHVRBZBPK-IRXDYDNUSA-N 2 1 343.512 1.205 20 0 EDADMP CO[C@@H](C)C[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000354465165 445249078 /nfs/dbraw/zinc/24/90/78/445249078.db2.gz UVWSFHHVRBZBPK-IRXDYDNUSA-N 2 1 343.512 1.205 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](CC)C2)C1 ZINC000351768498 445314502 /nfs/dbraw/zinc/31/45/02/445314502.db2.gz WMTBYAAMQIEMKF-DLBZAZTESA-N 2 1 340.512 1.613 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1ccnn1C ZINC000348113836 445274541 /nfs/dbraw/zinc/27/45/41/445274541.db2.gz GYAYHRBIOLWSME-NVXWUHKLSA-N 2 1 334.443 1.469 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1ccnn1C ZINC000348113836 445274544 /nfs/dbraw/zinc/27/45/44/445274544.db2.gz GYAYHRBIOLWSME-NVXWUHKLSA-N 2 1 334.443 1.469 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)CCCCCO)cc[nH+]1 ZINC000348161515 445294446 /nfs/dbraw/zinc/29/44/46/445294446.db2.gz WTVWOCZQAJBXSD-CABCVRRESA-N 2 1 339.459 1.554 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)CCCCCO)cc[nH+]1 ZINC000348161515 445294448 /nfs/dbraw/zinc/29/44/48/445294448.db2.gz WTVWOCZQAJBXSD-CABCVRRESA-N 2 1 339.459 1.554 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000351850869 445343122 /nfs/dbraw/zinc/34/31/22/445343122.db2.gz KCCFEDXVSMUNMZ-DOTOQJQBSA-N 2 1 341.459 1.200 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000351850869 445343123 /nfs/dbraw/zinc/34/31/23/445343123.db2.gz KCCFEDXVSMUNMZ-DOTOQJQBSA-N 2 1 341.459 1.200 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000351853169 445343915 /nfs/dbraw/zinc/34/39/15/445343915.db2.gz OBJANMRLDNCJDO-AEFFLSMTSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000351853169 445343916 /nfs/dbraw/zinc/34/39/16/445343916.db2.gz OBJANMRLDNCJDO-AEFFLSMTSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000351858438 445345231 /nfs/dbraw/zinc/34/52/31/445345231.db2.gz DFGWPUVFIUOFAT-CHWSQXEVSA-N 2 1 332.473 1.624 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000351858438 445345234 /nfs/dbraw/zinc/34/52/34/445345234.db2.gz DFGWPUVFIUOFAT-CHWSQXEVSA-N 2 1 332.473 1.624 20 0 EDADMP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C2CC2)cc1 ZINC000351860199 445345865 /nfs/dbraw/zinc/34/58/65/445345865.db2.gz IAHIQTJHXCMJSU-ZBFHGGJFSA-N 2 1 331.460 1.855 20 0 EDADMP COc1ccc(CN(C(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C2CC2)cc1 ZINC000351860199 445345867 /nfs/dbraw/zinc/34/58/67/445345867.db2.gz IAHIQTJHXCMJSU-ZBFHGGJFSA-N 2 1 331.460 1.855 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351927246 445380183 /nfs/dbraw/zinc/38/01/83/445380183.db2.gz NBKBUDQLVFVBJI-LMSBXDPUSA-N 2 1 331.460 1.078 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)[C@@H](O)C1 ZINC000351927246 445380184 /nfs/dbraw/zinc/38/01/84/445380184.db2.gz NBKBUDQLVFVBJI-LMSBXDPUSA-N 2 1 331.460 1.078 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)[C@@H](O)C1 ZINC000351927246 445380187 /nfs/dbraw/zinc/38/01/87/445380187.db2.gz NBKBUDQLVFVBJI-LMSBXDPUSA-N 2 1 331.460 1.078 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)C1 ZINC000357207377 445481709 /nfs/dbraw/zinc/48/17/09/445481709.db2.gz YQXNRKDDDXTEEW-RBUKOAKNSA-N 2 1 345.487 1.481 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000355381327 445457895 /nfs/dbraw/zinc/45/78/95/445457895.db2.gz HICZMGGTFOFKFE-KURKYZTESA-N 2 1 335.492 1.715 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000355381327 445457899 /nfs/dbraw/zinc/45/78/99/445457899.db2.gz HICZMGGTFOFKFE-KURKYZTESA-N 2 1 335.492 1.715 20 0 EDADMP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000355381327 445457901 /nfs/dbraw/zinc/45/79/01/445457901.db2.gz HICZMGGTFOFKFE-KURKYZTESA-N 2 1 335.492 1.715 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC([NH+](C)CCO)CC1 ZINC000359911130 445484202 /nfs/dbraw/zinc/48/42/02/445484202.db2.gz KTMIOFZBQPNGIW-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000359911130 445484204 /nfs/dbraw/zinc/48/42/04/445484204.db2.gz KTMIOFZBQPNGIW-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000359911130 445484209 /nfs/dbraw/zinc/48/42/09/445484209.db2.gz KTMIOFZBQPNGIW-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC3(O)CCCC3)CC2)C1 ZINC000349041566 445485685 /nfs/dbraw/zinc/48/56/85/445485685.db2.gz UNGKIRIJACUHFN-KRWDZBQOSA-N 2 1 325.497 1.018 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@H](CC)C1 ZINC000359919156 445489059 /nfs/dbraw/zinc/48/90/59/445489059.db2.gz SUOOXTIEZXAFMT-YESZJQIVSA-N 2 1 342.528 1.593 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000357221048 445489905 /nfs/dbraw/zinc/48/99/05/445489905.db2.gz BPFRCNNSWHJQLK-ZWKOTPCHSA-N 2 1 349.475 1.191 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@H](C)C[NH+](C)C(C)C)C[C@H]1CC ZINC000360137386 445589151 /nfs/dbraw/zinc/58/91/51/445589151.db2.gz SPCJQCNHDGCPQK-IAGOWNOFSA-N 2 1 342.528 1.857 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)C[C@H]1CC ZINC000360137386 445589155 /nfs/dbraw/zinc/58/91/55/445589155.db2.gz SPCJQCNHDGCPQK-IAGOWNOFSA-N 2 1 342.528 1.857 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)C[C@H]1CC ZINC000360137386 445589159 /nfs/dbraw/zinc/58/91/59/445589159.db2.gz SPCJQCNHDGCPQK-IAGOWNOFSA-N 2 1 342.528 1.857 20 0 EDADMP C[N@@H+](CCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)C1CCCCC1 ZINC000362804335 445557262 /nfs/dbraw/zinc/55/72/62/445557262.db2.gz DPWIKJUAAOVIHE-MRXNPFEDSA-N 2 1 333.480 1.802 20 0 EDADMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3cnc(N(C)C)nc3)C2)nc(C)[nH+]1 ZINC000360095499 445563336 /nfs/dbraw/zinc/56/33/36/445563336.db2.gz KZRYPJOHWROVCG-MRXNPFEDSA-N 2 1 341.463 1.708 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000353573750 445661956 /nfs/dbraw/zinc/66/19/56/445661956.db2.gz AFLHKKZEMSEFJA-SFHVURJKSA-N 2 1 333.480 1.227 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000363136373 445692044 /nfs/dbraw/zinc/69/20/44/445692044.db2.gz HQCJXRTXIBWQTK-JKSUJKDBSA-N 2 1 335.452 1.086 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000363136373 445692045 /nfs/dbraw/zinc/69/20/45/445692045.db2.gz HQCJXRTXIBWQTK-JKSUJKDBSA-N 2 1 335.452 1.086 20 0 EDADMP COCCn1cc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cn1 ZINC000363167095 445704751 /nfs/dbraw/zinc/70/47/51/445704751.db2.gz CSFLVFMBEVTSHA-KBAYOESNSA-N 2 1 336.480 1.509 20 0 EDADMP COCCn1cc(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cn1 ZINC000363167095 445704755 /nfs/dbraw/zinc/70/47/55/445704755.db2.gz CSFLVFMBEVTSHA-KBAYOESNSA-N 2 1 336.480 1.509 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)[NH+]1CCOCC1 ZINC000353695399 445713133 /nfs/dbraw/zinc/71/31/33/445713133.db2.gz SAIYRNFXGTZKNO-IXDOHACOSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)[NH+]1CCOCC1 ZINC000353695399 445713137 /nfs/dbraw/zinc/71/31/37/445713137.db2.gz SAIYRNFXGTZKNO-IXDOHACOSA-N 2 1 338.496 1.079 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000353699641 445714462 /nfs/dbraw/zinc/71/44/62/445714462.db2.gz FUVNVULDEXBZAC-MSOLQXFVSA-N 2 1 330.476 1.984 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000349904118 445716634 /nfs/dbraw/zinc/71/66/34/445716634.db2.gz PDWDLNLSOXEGHG-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000349955645 445733238 /nfs/dbraw/zinc/73/32/38/445733238.db2.gz ZMXREZOAGOAIOR-BRWVUGGUSA-N 2 1 340.512 1.659 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000363252354 445741051 /nfs/dbraw/zinc/74/10/51/445741051.db2.gz VEXJTZUBHIRVJG-UHFFFAOYSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000353854661 445784793 /nfs/dbraw/zinc/78/47/93/445784793.db2.gz YRHZNBDAECGCNO-OAHLLOKOSA-N 2 1 341.459 1.655 20 0 EDADMP C[NH+](C)CCOc1cnccc1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356452918 445797610 /nfs/dbraw/zinc/79/76/10/445797610.db2.gz BLMPKMIKYXTYPK-KRWDZBQOSA-N 2 1 348.491 1.903 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000363459611 445813686 /nfs/dbraw/zinc/81/36/86/445813686.db2.gz OWHBTFJUHWNVQS-QGZVFWFLSA-N 2 1 333.436 1.376 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000363459611 445813688 /nfs/dbraw/zinc/81/36/88/445813688.db2.gz OWHBTFJUHWNVQS-QGZVFWFLSA-N 2 1 333.436 1.376 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC1CC[NH+](CCN2CCOCC2)CC1 ZINC000353971029 445834485 /nfs/dbraw/zinc/83/44/85/445834485.db2.gz HSPQYCBTCQCBLE-LJQANCHMSA-N 2 1 338.540 1.247 20 0 EDADMP CC[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[NH2+]C1 ZINC000363511862 445839043 /nfs/dbraw/zinc/83/90/43/445839043.db2.gz QBMUKAKCXTVGFS-LJQANCHMSA-N 2 1 331.460 1.890 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000350514530 445843009 /nfs/dbraw/zinc/84/30/09/445843009.db2.gz DIZHVOONKTYXNW-QGZVFWFLSA-N 2 1 340.512 1.207 20 0 EDADMP Cc1cccc2nc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc(=O)n12 ZINC000361673186 445871635 /nfs/dbraw/zinc/87/16/35/445871635.db2.gz VTHKTLHDLQBBHS-DOTOQJQBSA-N 2 1 326.444 1.919 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(CC(=O)NCCc3ccc(F)cc3)CC[C@H]21 ZINC000361673077 445871882 /nfs/dbraw/zinc/87/18/82/445871882.db2.gz UNZQHUPUYRRMSZ-FUHWJXTLSA-N 2 1 333.451 1.901 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1)C1CC1 ZINC000361768183 445927871 /nfs/dbraw/zinc/92/78/71/445927871.db2.gz CXWMSFRHGDTQGY-UHFFFAOYSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000356629930 445897451 /nfs/dbraw/zinc/89/74/51/445897451.db2.gz YMIVXIMEAVLLBL-IAGOWNOFSA-N 2 1 334.464 1.309 20 0 EDADMP CC[N@H+]1CCO[C@H](CNC(=O)NCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000356629930 445897454 /nfs/dbraw/zinc/89/74/54/445897454.db2.gz YMIVXIMEAVLLBL-IAGOWNOFSA-N 2 1 334.464 1.309 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000372899839 445911112 /nfs/dbraw/zinc/91/11/12/445911112.db2.gz LWJAKSBXVLMACK-RLFYNMQTSA-N 2 1 334.464 1.620 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC[C@@H]3CCCO3)C2)c1 ZINC000361751825 445915795 /nfs/dbraw/zinc/91/57/95/445915795.db2.gz PTFKLQXERCVFOC-ULQDDVLXSA-N 2 1 346.475 1.808 20 0 EDADMP CCC(CC)[C@@H](C(=O)NCCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000359116917 445959971 /nfs/dbraw/zinc/95/99/71/445959971.db2.gz QREBOUWIVWPTIE-KRWDZBQOSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000354175745 445971222 /nfs/dbraw/zinc/97/12/22/445971222.db2.gz BSGQHTWDUXDVOC-DNVCBOLYSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000354175745 445971227 /nfs/dbraw/zinc/97/12/27/445971227.db2.gz BSGQHTWDUXDVOC-DNVCBOLYSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000354175745 445971231 /nfs/dbraw/zinc/97/12/31/445971231.db2.gz BSGQHTWDUXDVOC-DNVCBOLYSA-N 2 1 342.487 1.995 20 0 EDADMP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000369198704 445988064 /nfs/dbraw/zinc/98/80/64/445988064.db2.gz YXEUOFVJFJTAOJ-QZTJIDSGSA-N 2 1 345.491 1.639 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000365066141 446003254 /nfs/dbraw/zinc/00/32/54/446003254.db2.gz HAAWTMMDRXOVHF-NEWSRXKRSA-N 2 1 339.524 1.264 20 0 EDADMP O=C(C[C@@H]1CCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000583321650 326050520 /nfs/dbraw/zinc/05/05/20/326050520.db2.gz XEZOHMUUVBJMPW-INIZCTEOSA-N 2 1 345.491 1.725 20 0 EDADMP C[NH+](C)CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000359224469 446055155 /nfs/dbraw/zinc/05/51/55/446055155.db2.gz ILIBOZWUBXGQQA-INIZCTEOSA-N 2 1 346.475 1.663 20 0 EDADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)COC2CCOCC2)c1 ZINC000583807467 326143477 /nfs/dbraw/zinc/14/34/77/326143477.db2.gz MXGCIHBHGKVDGJ-GOSISDBHSA-N 2 1 336.476 1.784 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000583932760 326168252 /nfs/dbraw/zinc/16/82/52/326168252.db2.gz IKAWVBRRMWDYMR-MAUKXSAKSA-N 2 1 330.476 1.986 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000354269504 446065426 /nfs/dbraw/zinc/06/54/26/446065426.db2.gz SBZZLWQHJHMGTA-CABCVRRESA-N 2 1 332.448 1.469 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)c2ccccc2CN2CCOCC2)CC[N@@H+]1C ZINC000356850558 446069733 /nfs/dbraw/zinc/06/97/33/446069733.db2.gz MEVPLKRRVQWAPS-CVEARBPZSA-N 2 1 331.460 1.683 20 0 EDADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000359242228 446073845 /nfs/dbraw/zinc/07/38/45/446073845.db2.gz VMQNNNHCFFSURQ-KRWDZBQOSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H](OCCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000351473791 446075077 /nfs/dbraw/zinc/07/50/77/446075077.db2.gz FBIWCXWDEFKDQT-GDAAHCPNSA-N 2 1 345.487 1.940 20 0 EDADMP C[C@H](OCCCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000351473791 446075080 /nfs/dbraw/zinc/07/50/80/446075080.db2.gz FBIWCXWDEFKDQT-GDAAHCPNSA-N 2 1 345.487 1.940 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000351500112 446105854 /nfs/dbraw/zinc/10/58/54/446105854.db2.gz WORLHUANJSBRRP-NUEKZKHPSA-N 2 1 330.432 1.621 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000351500112 446105856 /nfs/dbraw/zinc/10/58/56/446105856.db2.gz WORLHUANJSBRRP-NUEKZKHPSA-N 2 1 330.432 1.621 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000369372571 446111631 /nfs/dbraw/zinc/11/16/31/446111631.db2.gz KBVUWCAHADJQTL-JFIYKMOQSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369372571 446111635 /nfs/dbraw/zinc/11/16/35/446111635.db2.gz KBVUWCAHADJQTL-JFIYKMOQSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369372571 446111636 /nfs/dbraw/zinc/11/16/36/446111636.db2.gz KBVUWCAHADJQTL-JFIYKMOQSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369372571 446111640 /nfs/dbraw/zinc/11/16/40/446111640.db2.gz KBVUWCAHADJQTL-JFIYKMOQSA-N 2 1 349.523 1.033 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369372571 446111643 /nfs/dbraw/zinc/11/16/43/446111643.db2.gz KBVUWCAHADJQTL-JFIYKMOQSA-N 2 1 349.523 1.033 20 0 EDADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)[C@H]1C ZINC000354330859 446117718 /nfs/dbraw/zinc/11/77/18/446117718.db2.gz BEVXLBSVUHUXHL-RYQLBKOJSA-N 2 1 339.524 1.827 20 0 EDADMP Cn1cc([C@@H]2[C@@H](CNC(=O)NC[C@H]3CCC[N@H+]3C)CCC[NH+]2C)cn1 ZINC000365346579 446160024 /nfs/dbraw/zinc/16/00/24/446160024.db2.gz DCEMWOSOPLXXFP-OIISXLGYSA-N 2 1 348.495 1.196 20 0 EDADMP Cn1cc([C@@H]2[C@@H](CNC(=O)NC[C@H]3CCC[NH+]3C)CCC[N@@H+]2C)cn1 ZINC000365346579 446160028 /nfs/dbraw/zinc/16/00/28/446160028.db2.gz DCEMWOSOPLXXFP-OIISXLGYSA-N 2 1 348.495 1.196 20 0 EDADMP Cn1cc([C@@H]2[C@@H](CNC(=O)NC[C@H]3CCC[NH+]3C)CCC[N@H+]2C)cn1 ZINC000365346579 446160035 /nfs/dbraw/zinc/16/00/35/446160035.db2.gz DCEMWOSOPLXXFP-OIISXLGYSA-N 2 1 348.495 1.196 20 0 EDADMP COC(=O)c1ccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000354379185 446162081 /nfs/dbraw/zinc/16/20/81/446162081.db2.gz GNAYQOWPZJNKIR-UHFFFAOYSA-N 2 1 333.432 1.685 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cn3c(n2)CCCC3)C[N@H+]1C1CC1 ZINC000365366279 446169935 /nfs/dbraw/zinc/16/99/35/446169935.db2.gz RGYOSDFJUOPXDF-ZIAGYGMSSA-N 2 1 331.464 1.986 20 0 EDADMP O=C1OCC[C@H]2CC[NH+](CCCC[N@@H+]3CC[C@H]4CCOC(=O)[C@H]43)[C@H]12 ZINC000369974928 446170743 /nfs/dbraw/zinc/17/07/43/446170743.db2.gz QPLXZPDKVCPMSZ-FZKCQIBNSA-N 2 1 336.432 1.041 20 0 EDADMP O=C1OCC[C@@H]2CC[NH+](CCCC[N@@H+]3CC[C@@H]4CCOC(=O)[C@H]43)[C@H]12 ZINC000369974928 446170749 /nfs/dbraw/zinc/17/07/49/446170749.db2.gz QPLXZPDKVCPMSZ-FZKCQIBNSA-N 2 1 336.432 1.041 20 0 EDADMP O=C1OCC[C@@H]2CC[NH+](CCCC[N@H+]3CC[C@@H]4CCOC(=O)[C@H]43)[C@H]12 ZINC000369974928 446170754 /nfs/dbraw/zinc/17/07/54/446170754.db2.gz QPLXZPDKVCPMSZ-FZKCQIBNSA-N 2 1 336.432 1.041 20 0 EDADMP C[NH+]1CCC(n2ccc(NC(=O)CCCC[NH+]3CCOCC3)n2)CC1 ZINC000373341764 446172248 /nfs/dbraw/zinc/17/22/48/446172248.db2.gz QTASYYZQBCVLQS-UHFFFAOYSA-N 2 1 349.479 1.591 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000359359498 446172538 /nfs/dbraw/zinc/17/25/38/446172538.db2.gz KSQMCTKKHCEVNO-INIZCTEOSA-N 2 1 346.475 1.663 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000359363600 446174983 /nfs/dbraw/zinc/17/49/83/446174983.db2.gz RUEDCTHJXYFYDZ-HNNXBMFYSA-N 2 1 328.501 1.469 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC000366387854 446185199 /nfs/dbraw/zinc/18/51/99/446185199.db2.gz CPOGUXLUNNPKGX-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC000366387854 446185202 /nfs/dbraw/zinc/18/52/02/446185202.db2.gz CPOGUXLUNNPKGX-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000359319188 446146901 /nfs/dbraw/zinc/14/69/01/446146901.db2.gz PWNMZEKNYLJJLS-OAHLLOKOSA-N 2 1 338.496 1.223 20 0 EDADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000366330382 446155843 /nfs/dbraw/zinc/15/58/43/446155843.db2.gz MGLFHFSEZUSSDI-OWYHZJEWSA-N 2 1 349.519 1.745 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000359396213 446198146 /nfs/dbraw/zinc/19/81/46/446198146.db2.gz XWOAZMIXYGVAQV-MRXNPFEDSA-N 2 1 340.512 1.212 20 0 EDADMP Cc1ccc(NCCCNC(=O)NC2CC([NH+]3CCCCC3)C2)[nH+]c1 ZINC000373427548 446212750 /nfs/dbraw/zinc/21/27/50/446212750.db2.gz ATZMZAYVRWLKBN-UHFFFAOYSA-N 2 1 345.491 2.508 20 0 EDADMP COCC[N@@H+](CCCc1ccccc1)CCC(=O)N1CC[NH2+]CC1 ZINC000351621812 446217168 /nfs/dbraw/zinc/21/71/68/446217168.db2.gz FUYLAXUAHGFNNE-UHFFFAOYSA-N 2 1 333.476 1.390 20 0 EDADMP COCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CC[C@@H](C)C1 ZINC000362151050 446237770 /nfs/dbraw/zinc/23/77/70/446237770.db2.gz RKHVSVIEVLAUEC-QAPCUYQASA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000362157328 446240250 /nfs/dbraw/zinc/24/02/50/446240250.db2.gz URJJAZGFNOXVID-IAGOWNOFSA-N 2 1 340.512 1.611 20 0 EDADMP CCN(C(=O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1)C1CCCCC1 ZINC000365570332 446258208 /nfs/dbraw/zinc/25/82/08/446258208.db2.gz OHCCZGCUDIIDKG-KRWDZBQOSA-N 2 1 337.508 1.822 20 0 EDADMP O=C(CC[N@H+]1CCC[C@H]2OCC[C@H]21)N1CCN(c2ccccn2)CC1 ZINC000373605679 446278567 /nfs/dbraw/zinc/27/85/67/446278567.db2.gz ZMNVYFGLMJXMBB-IAGOWNOFSA-N 2 1 344.459 1.374 20 0 EDADMP Cc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000359580753 446302935 /nfs/dbraw/zinc/30/29/35/446302935.db2.gz SJSMTAFAWWKVBD-OCVGTWLNSA-N 2 1 347.511 1.969 20 0 EDADMP Cc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000359580753 446302939 /nfs/dbraw/zinc/30/29/39/446302939.db2.gz SJSMTAFAWWKVBD-OCVGTWLNSA-N 2 1 347.511 1.969 20 0 EDADMP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000359580753 446302942 /nfs/dbraw/zinc/30/29/42/446302942.db2.gz SJSMTAFAWWKVBD-OCVGTWLNSA-N 2 1 347.511 1.969 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417337827 446346970 /nfs/dbraw/zinc/34/69/70/446346970.db2.gz JFRHKBZNLMMQFF-VYDXJSESSA-N 2 1 330.476 1.812 20 0 EDADMP COC(=O)c1ccnc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000362306721 446313521 /nfs/dbraw/zinc/31/35/21/446313521.db2.gz ZZTPBISKPBLVOT-RHSMWYFYSA-N 2 1 346.475 1.909 20 0 EDADMP COC(=O)c1ccnc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000362306721 446313524 /nfs/dbraw/zinc/31/35/24/446313524.db2.gz ZZTPBISKPBLVOT-RHSMWYFYSA-N 2 1 346.475 1.909 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)c(=O)n1C ZINC000370533705 446321981 /nfs/dbraw/zinc/32/19/81/446321981.db2.gz ASLCWZHORNGWLL-FHLIZLRMSA-N 2 1 333.476 1.673 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000417337802 446346383 /nfs/dbraw/zinc/34/63/83/446346383.db2.gz JEVHSJLUGPVKBO-AYOQOUSVSA-N 2 1 342.487 1.827 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCc3nc[nH]c32)C[C@H](C)O1 ZINC000370605530 446353913 /nfs/dbraw/zinc/35/39/13/446353913.db2.gz AEFULRCSSXNIHQ-HZSPNIEDSA-N 2 1 334.464 1.834 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417544442 446363996 /nfs/dbraw/zinc/36/39/96/446363996.db2.gz MTXXWVXDYZBBSW-WMZOPIPTSA-N 2 1 347.507 1.402 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417580814 446365083 /nfs/dbraw/zinc/36/50/83/446365083.db2.gz GICLJQRFEQJFQI-OAHLLOKOSA-N 2 1 340.512 1.707 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000417667868 446369729 /nfs/dbraw/zinc/36/97/29/446369729.db2.gz HUJNDANRKUARGL-NXOAAHMSSA-N 2 1 340.512 1.421 20 0 EDADMP CCCN(C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)[C@H]1CC[NH2+]C1 ZINC000417759237 446371771 /nfs/dbraw/zinc/37/17/71/446371771.db2.gz WBPXORNFHOCVAI-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)[C@H]1c1ccccc1 ZINC000417936830 446391236 /nfs/dbraw/zinc/39/12/36/446391236.db2.gz HUUHDMMOOSQIOU-FGTMMUONSA-N 2 1 328.460 1.968 20 0 EDADMP CCN(CC(=O)N1CCC[C@H](N(C)Cc2noc(C)n2)CC1)C1CC1 ZINC000376243791 446396695 /nfs/dbraw/zinc/39/66/95/446396695.db2.gz HEPSLJCTSHUNRW-HNNXBMFYSA-N 2 1 349.479 1.675 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H](C)[NH3+] ZINC000418077396 446434283 /nfs/dbraw/zinc/43/42/83/446434283.db2.gz STOKOINEXUEOHL-UXLLHSPISA-N 2 1 334.464 1.312 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000418081014 446434459 /nfs/dbraw/zinc/43/44/59/446434459.db2.gz UOOZDKWAENTXOX-STQMWFEESA-N 2 1 338.418 1.948 20 0 EDADMP Cc1ccnc(C2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000366973946 446438289 /nfs/dbraw/zinc/43/82/89/446438289.db2.gz CXNYGOPVWXOSHM-UHFFFAOYSA-N 2 1 331.464 1.129 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H]([NH3+])c2ccccc2)CCCO1 ZINC000418116594 446442244 /nfs/dbraw/zinc/44/22/44/446442244.db2.gz QOQOBYJNRJBYMV-DOTOQJQBSA-N 2 1 334.464 1.487 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000370723719 446404153 /nfs/dbraw/zinc/40/41/53/446404153.db2.gz XNKYJKRCYKCYIL-QZTJIDSGSA-N 2 1 349.519 1.964 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417982347 446406829 /nfs/dbraw/zinc/40/68/29/446406829.db2.gz AAQCONAKNDMWKI-SJLPKXTDSA-N 2 1 348.491 1.432 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000418011925 446415291 /nfs/dbraw/zinc/41/52/91/446415291.db2.gz LIFXDAYVSLDVJB-HHXXYDBFSA-N 2 1 330.476 1.887 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000418191166 446454336 /nfs/dbraw/zinc/45/43/36/446454336.db2.gz KKYGMACMSOVUKI-NRSFXHEJSA-N 2 1 328.460 1.510 20 0 EDADMP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420301965 446463596 /nfs/dbraw/zinc/46/35/96/446463596.db2.gz FNVSQHYMSRYBFQ-UHFFFAOYSA-N 2 1 331.416 1.487 20 0 EDADMP C[NH2+]CCC1CC[NH+](CC(=O)N(C)c2ccccc2C(=O)OC)CC1 ZINC000420303094 446465512 /nfs/dbraw/zinc/46/55/12/446465512.db2.gz GXKPNBDZAIMIGE-UHFFFAOYSA-N 2 1 347.459 1.758 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000420309323 446471890 /nfs/dbraw/zinc/47/18/90/446471890.db2.gz DWLHMEJDCWPJII-ROUUACIJSA-N 2 1 336.524 1.443 20 0 EDADMP O=C(NC[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000420309323 446471899 /nfs/dbraw/zinc/47/18/99/446471899.db2.gz DWLHMEJDCWPJII-ROUUACIJSA-N 2 1 336.524 1.443 20 0 EDADMP C[NH2+]CCCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418274748 446480109 /nfs/dbraw/zinc/48/01/09/446480109.db2.gz BMCJHUFFBWTKRH-LJQANCHMSA-N 2 1 330.476 1.904 20 0 EDADMP CC1(C)CCC[NH2+][C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000423329408 446490788 /nfs/dbraw/zinc/49/07/88/446490788.db2.gz LMPXAXVXQNDHTP-SFHVURJKSA-N 2 1 345.487 1.913 20 0 EDADMP CC1CCC(N(C)C(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000420324654 446491877 /nfs/dbraw/zinc/49/18/77/446491877.db2.gz HMGZGJLYKDWLAI-AQFXKWCLSA-N 2 1 337.508 1.711 20 0 EDADMP CC1CCC(N(C)C(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000420324654 446491882 /nfs/dbraw/zinc/49/18/82/446491882.db2.gz HMGZGJLYKDWLAI-AQFXKWCLSA-N 2 1 337.508 1.711 20 0 EDADMP C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000423334016 446493237 /nfs/dbraw/zinc/49/32/37/446493237.db2.gz QGRNUTFDGAZOGW-ILXRZTDVSA-N 2 1 333.480 1.727 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000423339061 446494382 /nfs/dbraw/zinc/49/43/82/446494382.db2.gz BKNLVTRSSHAXRB-PBHICJAKSA-N 2 1 344.459 1.401 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])C3CCC3)c2)CCO1 ZINC000423364010 446501396 /nfs/dbraw/zinc/50/13/96/446501396.db2.gz OOQQAPIXDWWHCP-KDOFPFPSSA-N 2 1 331.460 1.651 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])C3CCC3)c2)CCO1 ZINC000423364010 446501402 /nfs/dbraw/zinc/50/14/02/446501402.db2.gz OOQQAPIXDWWHCP-KDOFPFPSSA-N 2 1 331.460 1.651 20 0 EDADMP COc1cc(C[NH+]2C[C@H](O)C[C@@H]2C)cc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000432772975 446502603 /nfs/dbraw/zinc/50/26/03/446502603.db2.gz YTOQFOHZAWGWJX-LBTBCDHLSA-N 2 1 334.460 1.605 20 0 EDADMP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(C)n1 ZINC000411358914 446505321 /nfs/dbraw/zinc/50/53/21/446505321.db2.gz QKDNPQFUELTMJS-GJZGRUSLSA-N 2 1 330.432 1.498 20 0 EDADMP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c(C)n1 ZINC000411358914 446505327 /nfs/dbraw/zinc/50/53/27/446505327.db2.gz QKDNPQFUELTMJS-GJZGRUSLSA-N 2 1 330.432 1.498 20 0 EDADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000423370531 446505532 /nfs/dbraw/zinc/50/55/32/446505532.db2.gz UIWABLHWCXYTGW-UHFFFAOYSA-N 2 1 344.463 1.397 20 0 EDADMP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000420336409 446506031 /nfs/dbraw/zinc/50/60/31/446506031.db2.gz MIDJIYDZPCNVQE-KFWWJZLASA-N 2 1 347.459 1.962 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)CC12CCOCC2 ZINC000420338420 446507674 /nfs/dbraw/zinc/50/76/74/446507674.db2.gz XYFSAFIDWSUXIS-KRWDZBQOSA-N 2 1 343.471 1.801 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)CC12CCOCC2 ZINC000420338420 446507678 /nfs/dbraw/zinc/50/76/78/446507678.db2.gz XYFSAFIDWSUXIS-KRWDZBQOSA-N 2 1 343.471 1.801 20 0 EDADMP C[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000420339444 446509613 /nfs/dbraw/zinc/50/96/13/446509613.db2.gz YZKWMMTYASJRCF-RDJZCZTQSA-N 2 1 331.460 1.551 20 0 EDADMP C[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000420339444 446509621 /nfs/dbraw/zinc/50/96/21/446509621.db2.gz YZKWMMTYASJRCF-RDJZCZTQSA-N 2 1 331.460 1.551 20 0 EDADMP COC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367132286 446512259 /nfs/dbraw/zinc/51/22/59/446512259.db2.gz AFJIPBGHCMPJLV-DLBZAZTESA-N 2 1 325.497 1.534 20 0 EDADMP COC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367132286 446512264 /nfs/dbraw/zinc/51/22/64/446512264.db2.gz AFJIPBGHCMPJLV-DLBZAZTESA-N 2 1 325.497 1.534 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCCc3ccccc32)CC12CCOCC2 ZINC000420340023 446512408 /nfs/dbraw/zinc/51/24/08/446512408.db2.gz ZPSIWKUKCWYHLG-QGZVFWFLSA-N 2 1 343.471 1.653 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCCc3ccccc32)CC12CCOCC2 ZINC000420340023 446512413 /nfs/dbraw/zinc/51/24/13/446512413.db2.gz ZPSIWKUKCWYHLG-QGZVFWFLSA-N 2 1 343.471 1.653 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418364766 446514667 /nfs/dbraw/zinc/51/46/67/446514667.db2.gz OGJJJOICXYQCAT-KRWDZBQOSA-N 2 1 339.528 1.173 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](CC(=O)NCCCc2ccccc2)CC12CCOCC2 ZINC000420328463 446496880 /nfs/dbraw/zinc/49/68/80/446496880.db2.gz MNYNUHJKEOZXAI-SFHVURJKSA-N 2 1 345.487 1.423 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCCCc2ccccc2)CC12CCOCC2 ZINC000420328463 446496889 /nfs/dbraw/zinc/49/68/89/446496889.db2.gz MNYNUHJKEOZXAI-SFHVURJKSA-N 2 1 345.487 1.423 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C[C@@H]1CC ZINC000418329566 446499995 /nfs/dbraw/zinc/49/99/95/446499995.db2.gz BIVZWCWGDPTBQK-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H](C)C[NH3+])CC2)cc1 ZINC000418478705 446558397 /nfs/dbraw/zinc/55/83/97/446558397.db2.gz XLITVRMVWBZDLP-OAHLLOKOSA-N 2 1 334.464 1.507 20 0 EDADMP CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367552960 446560935 /nfs/dbraw/zinc/56/09/35/446560935.db2.gz OSCMFSDPLUOSRI-OAGGEKHMSA-N 2 1 329.510 1.263 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)C[NH3+] ZINC000418492174 446563624 /nfs/dbraw/zinc/56/36/24/446563624.db2.gz PECUETOKIGNVPL-NVXWUHKLSA-N 2 1 333.480 1.672 20 0 EDADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420389007 446565144 /nfs/dbraw/zinc/56/51/44/446565144.db2.gz NEOJCLQXVFVBPY-BDXSIMOUSA-N 2 1 349.519 1.724 20 0 EDADMP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C1CCCCC1 ZINC000418377701 446520950 /nfs/dbraw/zinc/52/09/50/446520950.db2.gz JFOAWEMBQDJGGC-JKSUJKDBSA-N 2 1 326.485 1.040 20 0 EDADMP C[C@H](CCNC(=O)c1cn(CCC[NH3+])nn1)[N@@H+](C)Cc1ccccc1 ZINC000423420119 446527024 /nfs/dbraw/zinc/52/70/24/446527024.db2.gz AWSLOMJAYIHOAS-OAHLLOKOSA-N 2 1 344.463 1.267 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC2)nc(C)[nH+]1 ZINC000423425007 446531500 /nfs/dbraw/zinc/53/15/00/446531500.db2.gz GHAQMOUIQUPAHM-CXAGYDPISA-N 2 1 333.480 1.798 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418415573 446535856 /nfs/dbraw/zinc/53/58/56/446535856.db2.gz NWEYKSCWYIEABU-HKUYNNGSSA-N 2 1 348.491 1.296 20 0 EDADMP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000433137836 446535820 /nfs/dbraw/zinc/53/58/20/446535820.db2.gz VDCFQWMCIXMIDJ-NVXWUHKLSA-N 2 1 346.475 1.553 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000433144778 446537181 /nfs/dbraw/zinc/53/71/81/446537181.db2.gz NULPFCBECGIGJC-KRWDZBQOSA-N 2 1 346.475 1.173 20 0 EDADMP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000420363232 446542683 /nfs/dbraw/zinc/54/26/83/446542683.db2.gz BMFNEDNNWOVNOW-QGZVFWFLSA-N 2 1 343.537 1.703 20 0 EDADMP CC[C@H]1CN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC[N@H+]1CCOC ZINC000418456596 446550455 /nfs/dbraw/zinc/55/04/55/446550455.db2.gz FXRQGFSCCUWFRR-YJBOKZPZSA-N 2 1 348.491 1.959 20 0 EDADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418601196 446610240 /nfs/dbraw/zinc/61/02/40/446610240.db2.gz UEBLWKMWWIYBOI-KANFNMMFSA-N 2 1 342.487 1.758 20 0 EDADMP COCc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420401344 446574850 /nfs/dbraw/zinc/57/48/50/446574850.db2.gz PHOYFQWZHVTACV-MOPGFXCFSA-N 2 1 345.487 1.913 20 0 EDADMP COCc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420401344 446574857 /nfs/dbraw/zinc/57/48/57/446574857.db2.gz PHOYFQWZHVTACV-MOPGFXCFSA-N 2 1 345.487 1.913 20 0 EDADMP COCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420404551 446577864 /nfs/dbraw/zinc/57/78/64/446577864.db2.gz MCHODADTZUISDQ-WBVHZDCISA-N 2 1 349.475 1.245 20 0 EDADMP COCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420404551 446577873 /nfs/dbraw/zinc/57/78/73/446577873.db2.gz MCHODADTZUISDQ-WBVHZDCISA-N 2 1 349.475 1.245 20 0 EDADMP Cc1ccc(CC[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420405975 446580468 /nfs/dbraw/zinc/58/04/68/446580468.db2.gz QFRBQHOJRBAGMD-OALUTQOASA-N 2 1 342.487 1.758 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000375102438 446581120 /nfs/dbraw/zinc/58/11/20/446581120.db2.gz TWSLCTGYDSFINM-SFHVURJKSA-N 2 1 342.487 1.990 20 0 EDADMP C[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000418556004 446592111 /nfs/dbraw/zinc/59/21/11/446592111.db2.gz AIOZVGHEJBPWOU-CJNGLKHVSA-N 2 1 338.402 1.367 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000418560286 446594890 /nfs/dbraw/zinc/59/48/90/446594890.db2.gz LMROPQJXCWTMDM-RYQLBKOJSA-N 2 1 330.476 1.695 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000418560286 446594897 /nfs/dbraw/zinc/59/48/97/446594897.db2.gz LMROPQJXCWTMDM-RYQLBKOJSA-N 2 1 330.476 1.695 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000418563266 446595424 /nfs/dbraw/zinc/59/54/24/446595424.db2.gz SEBPWUVFRPTFIY-KRWDZBQOSA-N 2 1 347.507 1.183 20 0 EDADMP CCCNC(=O)CCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000411565956 446603344 /nfs/dbraw/zinc/60/33/44/446603344.db2.gz GHMQWSYLSCDJAL-FQEVSTJZSA-N 2 1 347.503 1.862 20 0 EDADMP CCCNC(=O)CCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000411565956 446603352 /nfs/dbraw/zinc/60/33/52/446603352.db2.gz GHMQWSYLSCDJAL-FQEVSTJZSA-N 2 1 347.503 1.862 20 0 EDADMP CCCNC(=O)CCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000411565956 446603355 /nfs/dbraw/zinc/60/33/55/446603355.db2.gz GHMQWSYLSCDJAL-FQEVSTJZSA-N 2 1 347.503 1.862 20 0 EDADMP CCCNC(=O)CCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000411565956 446603362 /nfs/dbraw/zinc/60/33/62/446603362.db2.gz GHMQWSYLSCDJAL-FQEVSTJZSA-N 2 1 347.503 1.862 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418588289 446604792 /nfs/dbraw/zinc/60/47/92/446604792.db2.gz HRWZWIQOPVVXFS-AEFFLSMTSA-N 2 1 330.476 1.820 20 0 EDADMP CC[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000423638088 446620089 /nfs/dbraw/zinc/62/00/89/446620089.db2.gz DIDVPQUSFHXEMF-OALUTQOASA-N 2 1 344.503 1.403 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)[C@H]1c1ccccc1 ZINC000375225432 446654426 /nfs/dbraw/zinc/65/44/26/446654426.db2.gz CQUXEHNTXTXSTE-QZTJIDSGSA-N 2 1 328.460 1.921 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H]1CC ZINC000418732398 446659751 /nfs/dbraw/zinc/65/97/51/446659751.db2.gz JMTOASWWHXFESX-ZACQAIPSSA-N 2 1 340.512 1.646 20 0 EDADMP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000418633463 446624875 /nfs/dbraw/zinc/62/48/75/446624875.db2.gz IGTCKSAULRIUCR-SJLPKXTDSA-N 2 1 328.460 1.753 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000375179249 446626538 /nfs/dbraw/zinc/62/65/38/446626538.db2.gz IELLQXMUOVBUDX-UHFFFAOYSA-N 2 1 349.479 1.520 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418650957 446633362 /nfs/dbraw/zinc/63/33/62/446633362.db2.gz XJJUQJWWMWKZBA-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000423757971 446687017 /nfs/dbraw/zinc/68/70/17/446687017.db2.gz NFXSIDFNYCAQII-RBUKOAKNSA-N 2 1 344.503 1.357 20 0 EDADMP C([NH+]1CCC[C@@]12CCOC2)C1(C[N@@H+]2CCC[C@@]23CCOC3)COC1 ZINC000375275852 446687073 /nfs/dbraw/zinc/68/70/73/446687073.db2.gz FAHDIVKPLUNZRR-OALUTQOASA-N 2 1 336.476 1.513 20 0 EDADMP C([NH+]1CCC[C@@]12CCOC2)C1(C[N@H+]2CCC[C@@]23CCOC3)COC1 ZINC000375275852 446687080 /nfs/dbraw/zinc/68/70/80/446687080.db2.gz FAHDIVKPLUNZRR-OALUTQOASA-N 2 1 336.476 1.513 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCC[C@@]3(C)[NH3+])CC2)cn1 ZINC000423759023 446688729 /nfs/dbraw/zinc/68/87/29/446688729.db2.gz OOEITIGNTXCCHK-IEBWSBKVSA-N 2 1 347.507 1.845 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCCC[C@@]3(C)[NH3+])CC2)cn1 ZINC000423759023 446688733 /nfs/dbraw/zinc/68/87/33/446688733.db2.gz OOEITIGNTXCCHK-IEBWSBKVSA-N 2 1 347.507 1.845 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000423822733 446712398 /nfs/dbraw/zinc/71/23/98/446712398.db2.gz JXSYLHJHTCKVHZ-QUCCMNQESA-N 2 1 345.487 1.736 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000423836531 446724346 /nfs/dbraw/zinc/72/43/46/446724346.db2.gz WPGQCVKPIRPENZ-YQQAZPJKSA-N 2 1 337.851 1.580 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000423836531 446724354 /nfs/dbraw/zinc/72/43/54/446724354.db2.gz WPGQCVKPIRPENZ-YQQAZPJKSA-N 2 1 337.851 1.580 20 0 EDADMP C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000371265910 446725952 /nfs/dbraw/zinc/72/59/52/446725952.db2.gz GSBCFSVRIJQKCR-ROUUACIJSA-N 2 1 336.524 1.204 20 0 EDADMP C[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000371265910 446725956 /nfs/dbraw/zinc/72/59/56/446725956.db2.gz GSBCFSVRIJQKCR-ROUUACIJSA-N 2 1 336.524 1.204 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423844409 446727965 /nfs/dbraw/zinc/72/79/65/446727965.db2.gz JDXYUMLTPZOEAV-GOSISDBHSA-N 2 1 345.487 1.865 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000423748354 446678964 /nfs/dbraw/zinc/67/89/64/446678964.db2.gz UHPQWPVFDWJXKC-GOSISDBHSA-N 2 1 336.524 1.395 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H](O)COc1ccccc1 ZINC000371293469 446750017 /nfs/dbraw/zinc/75/00/17/446750017.db2.gz GTJXGTJOCZJZLT-PSBWJHGTSA-N 2 1 334.460 1.610 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H](O)COc1ccccc1 ZINC000371293469 446750021 /nfs/dbraw/zinc/75/00/21/446750021.db2.gz GTJXGTJOCZJZLT-PSBWJHGTSA-N 2 1 334.460 1.610 20 0 EDADMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423896080 446750921 /nfs/dbraw/zinc/75/09/21/446750921.db2.gz GFGWMJOZBJKTCX-NCXUSEDFSA-N 2 1 343.471 1.222 20 0 EDADMP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000371303671 446760105 /nfs/dbraw/zinc/76/01/05/446760105.db2.gz PRSFVOMYMLNISU-MRXNPFEDSA-N 2 1 336.505 1.028 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000423931286 446784043 /nfs/dbraw/zinc/78/40/43/446784043.db2.gz LZQZNTFMUQQDHH-WDYCEAGBSA-N 2 1 347.507 1.651 20 0 EDADMP CN(C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)[C@H]1CC[N@H+](C2CC2)C1 ZINC000438886905 446803335 /nfs/dbraw/zinc/80/33/35/446803335.db2.gz YIWBZMQIFLOMJH-RDJZCZTQSA-N 2 1 326.444 1.733 20 0 EDADMP CSCCONC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368447809 446868252 /nfs/dbraw/zinc/86/82/52/446868252.db2.gz VNOHZJXYAUIVHC-CQSZACIVSA-N 2 1 330.498 1.091 20 0 EDADMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000419022989 446870929 /nfs/dbraw/zinc/87/09/29/446870929.db2.gz CSLCSPDHYKUIHU-NVXWUHKLSA-N 2 1 346.475 1.054 20 0 EDADMP CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420904177 446881681 /nfs/dbraw/zinc/88/16/81/446881681.db2.gz BTHKRGRAKARCLU-GOSISDBHSA-N 2 1 331.460 1.477 20 0 EDADMP CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420904177 446881682 /nfs/dbraw/zinc/88/16/82/446881682.db2.gz BTHKRGRAKARCLU-GOSISDBHSA-N 2 1 331.460 1.477 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)C2 ZINC000371491200 446890372 /nfs/dbraw/zinc/89/03/72/446890372.db2.gz MKFBVTQSCAIIRJ-XJKSGUPXSA-N 2 1 330.407 1.940 20 0 EDADMP Cc1ccc(NCCCNC(=O)NC2CCC([NH+](C)C)CC2)[nH+]c1 ZINC000420926153 446894343 /nfs/dbraw/zinc/89/43/43/446894343.db2.gz ZHOPPXQORCBVCB-UHFFFAOYSA-N 2 1 333.480 2.364 20 0 EDADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000419104869 446926379 /nfs/dbraw/zinc/92/63/79/446926379.db2.gz NCQNLMSZPDHSPD-QGZVFWFLSA-N 2 1 346.475 1.136 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc(-c3ccccn3)no2)CC1 ZINC000371551018 446929215 /nfs/dbraw/zinc/92/92/15/446929215.db2.gz QYYKELXATXACGX-AWEZNQCLSA-N 2 1 345.447 1.656 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc(-c3ccccn3)no2)CC1 ZINC000371551018 446929219 /nfs/dbraw/zinc/92/92/19/446929219.db2.gz QYYKELXATXACGX-AWEZNQCLSA-N 2 1 345.447 1.656 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000442754598 446952407 /nfs/dbraw/zinc/95/24/07/446952407.db2.gz BFPAVTKPBDNXCY-GJZGRUSLSA-N 2 1 336.505 1.061 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000442754598 446952411 /nfs/dbraw/zinc/95/24/11/446952411.db2.gz BFPAVTKPBDNXCY-GJZGRUSLSA-N 2 1 336.505 1.061 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1F ZINC000454724930 446954398 /nfs/dbraw/zinc/95/43/98/446954398.db2.gz CPNNRMGLTQZRRJ-DOTOQJQBSA-N 2 1 334.439 1.733 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442777320 446964513 /nfs/dbraw/zinc/96/45/13/446964513.db2.gz IWKGVEAOHYRRCU-OFQRWUPVSA-N 2 1 349.475 1.720 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000442777293 446966174 /nfs/dbraw/zinc/96/61/74/446966174.db2.gz DEPBGKFGPXAZMS-VYXJFRSESA-N 2 1 348.491 1.450 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000442777293 446966178 /nfs/dbraw/zinc/96/61/78/446966178.db2.gz DEPBGKFGPXAZMS-VYXJFRSESA-N 2 1 348.491 1.450 20 0 EDADMP C[C@H](CNC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1)[NH+](C)C1CC1 ZINC000371899467 446974107 /nfs/dbraw/zinc/97/41/07/446974107.db2.gz OIWHXIHYTGCNSI-CQSZACIVSA-N 2 1 333.480 1.324 20 0 EDADMP C[C@H](CNC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1)[NH+](C)C1CC1 ZINC000371899467 446974114 /nfs/dbraw/zinc/97/41/14/446974114.db2.gz OIWHXIHYTGCNSI-CQSZACIVSA-N 2 1 333.480 1.324 20 0 EDADMP C[C@H](CNC(=O)C(C)(C)C[NH+]1CCn2ccnc2C1)[N@H+](C)C1CC1 ZINC000371899467 446974121 /nfs/dbraw/zinc/97/41/21/446974121.db2.gz OIWHXIHYTGCNSI-CQSZACIVSA-N 2 1 333.480 1.324 20 0 EDADMP C[C@H](CNC(=O)C(C)(C)C[NH+]1CCn2ccnc2C1)[N@@H+](C)C1CC1 ZINC000371899467 446974124 /nfs/dbraw/zinc/97/41/24/446974124.db2.gz OIWHXIHYTGCNSI-CQSZACIVSA-N 2 1 333.480 1.324 20 0 EDADMP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443058011 447000136 /nfs/dbraw/zinc/00/01/36/447000136.db2.gz ISDLKHVCURNYEH-AWEZNQCLSA-N 2 1 332.448 1.388 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000443059598 447001093 /nfs/dbraw/zinc/00/10/93/447001093.db2.gz NEVUYIPMICXZEQ-CQSZACIVSA-N 2 1 339.867 1.896 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375902919 447135302 /nfs/dbraw/zinc/13/53/02/447135302.db2.gz GXHPYCWSVYMRHT-LJQANCHMSA-N 2 1 344.503 1.647 20 0 EDADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000419410120 447158113 /nfs/dbraw/zinc/15/81/13/447158113.db2.gz OFJMSZWUWPXTFW-LSDHHAIUSA-N 2 1 338.496 1.014 20 0 EDADMP C[NH2+][C@@H](C(=O)NC1CC[NH+](Cc2ccsc2)CC1)c1cnn(C)c1 ZINC000375955931 447173597 /nfs/dbraw/zinc/17/35/97/447173597.db2.gz ZYJPDZMPWIMRLK-MRXNPFEDSA-N 2 1 347.488 1.523 20 0 EDADMP CON(C)C(=O)CC[N@@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000377526797 447182065 /nfs/dbraw/zinc/18/20/65/447182065.db2.gz GWXFMMVKNKKZAB-UHFFFAOYSA-N 2 1 334.464 1.430 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000377536842 447188606 /nfs/dbraw/zinc/18/86/06/447188606.db2.gz XNQUNQFPUJJNCL-DFGXFYAUSA-N 2 1 345.443 1.028 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425452998 447171469 /nfs/dbraw/zinc/17/14/69/447171469.db2.gz YFVQMNSQDCCYTM-HNNXBMFYSA-N 2 1 328.501 1.469 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000376043187 447230612 /nfs/dbraw/zinc/23/06/12/447230612.db2.gz OTFJBNDDNFNKTD-OAHLLOKOSA-N 2 1 340.493 1.144 20 0 EDADMP COC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCOCC1 ZINC000446841721 447259372 /nfs/dbraw/zinc/25/93/72/447259372.db2.gz AWAAMQLRDKVBAY-KRWDZBQOSA-N 2 1 326.481 1.663 20 0 EDADMP CO[C@H](C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000379247376 447451266 /nfs/dbraw/zinc/45/12/66/447451266.db2.gz ZIJRXBPZPMXNRK-YTQUADARSA-N 2 1 345.487 1.954 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000495185502 447480138 /nfs/dbraw/zinc/48/01/38/447480138.db2.gz UBFXVZYYCZEOAI-LSDHHAIUSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000495185502 447480143 /nfs/dbraw/zinc/48/01/43/447480143.db2.gz UBFXVZYYCZEOAI-LSDHHAIUSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000495185502 447480145 /nfs/dbraw/zinc/48/01/45/447480145.db2.gz UBFXVZYYCZEOAI-LSDHHAIUSA-N 2 1 336.480 1.118 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495322442 447487713 /nfs/dbraw/zinc/48/77/13/447487713.db2.gz QJFJPQDUDQOIBF-RHSMWYFYSA-N 2 1 327.469 1.432 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495322442 447487716 /nfs/dbraw/zinc/48/77/16/447487716.db2.gz QJFJPQDUDQOIBF-RHSMWYFYSA-N 2 1 327.469 1.432 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)c2C1 ZINC000415524664 447495840 /nfs/dbraw/zinc/49/58/40/447495840.db2.gz OMNOCSHWSOEVAQ-UONOGXRCSA-N 2 1 344.459 1.546 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)c2C1 ZINC000415524664 447495846 /nfs/dbraw/zinc/49/58/46/447495846.db2.gz OMNOCSHWSOEVAQ-UONOGXRCSA-N 2 1 344.459 1.546 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000422354117 447497523 /nfs/dbraw/zinc/49/75/23/447497523.db2.gz HMSCLQQSNJYVFE-CABCVRRESA-N 2 1 340.512 1.020 20 0 EDADMP C[N@@H+](CCCCNC(=O)NC[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000459135935 447591245 /nfs/dbraw/zinc/59/12/45/447591245.db2.gz BCHKWQWDOCXSQE-INIZCTEOSA-N 2 1 326.485 1.007 20 0 EDADMP COC(=O)[C@H]([N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)C1(OC)CCC1 ZINC000459338261 447638320 /nfs/dbraw/zinc/63/83/20/447638320.db2.gz RPOQNIVNIGTETK-HOCLYGCPSA-N 2 1 342.480 1.122 20 0 EDADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCN1CC[NH2+]CC1 ZINC000404317332 447599172 /nfs/dbraw/zinc/59/91/72/447599172.db2.gz HTPJPYKCLKICCK-OTWHNJEPSA-N 2 1 330.520 1.875 20 0 EDADMP C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000404317332 447599181 /nfs/dbraw/zinc/59/91/81/447599181.db2.gz HTPJPYKCLKICCK-OTWHNJEPSA-N 2 1 330.520 1.875 20 0 EDADMP C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000404317332 447599190 /nfs/dbraw/zinc/59/91/90/447599190.db2.gz HTPJPYKCLKICCK-OTWHNJEPSA-N 2 1 330.520 1.875 20 0 EDADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000416885649 447701680 /nfs/dbraw/zinc/70/16/80/447701680.db2.gz PZBQYHYKYHEKAB-QZTJIDSGSA-N 2 1 346.475 1.445 20 0 EDADMP COc1cc2[nH+]c(N3CCC[C@H]([C@@H](C)[NH3+])C3)nc(N)c2cc1OC ZINC000420182771 447658813 /nfs/dbraw/zinc/65/88/13/447658813.db2.gz GPQCGKSQCWIQRI-MNOVXSKESA-N 2 1 331.420 1.793 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(NCC[C@H]2CC[NH2+]C2)n1 ZINC000420203444 447668994 /nfs/dbraw/zinc/66/89/94/447668994.db2.gz ZTSIMJVXRGVYGY-VYDXJSESSA-N 2 1 333.480 1.347 20 0 EDADMP COc1cc2[nH+]c(N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)nc(N)c2cc1OC ZINC000420225961 447677779 /nfs/dbraw/zinc/67/77/79/447677779.db2.gz FUUMFTSVLSCNCO-CYZMBNFOSA-N 2 1 343.431 1.793 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(C[NH3+])CC2)C[C@H](C)O1 ZINC000416922858 447710330 /nfs/dbraw/zinc/71/03/30/447710330.db2.gz PMFVVOORISCHNC-KBPBESRZSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCCC[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000416936456 447715141 /nfs/dbraw/zinc/71/51/41/447715141.db2.gz YDVZRLOLCNWKGK-XHSDSOJGSA-N 2 1 340.512 1.706 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCCC[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000416936456 447715145 /nfs/dbraw/zinc/71/51/45/447715145.db2.gz YDVZRLOLCNWKGK-XHSDSOJGSA-N 2 1 340.512 1.706 20 0 EDADMP CC(C)[C@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000416947392 447721344 /nfs/dbraw/zinc/72/13/44/447721344.db2.gz XZWJNDFNOFYWCJ-SFHVURJKSA-N 2 1 348.491 1.514 20 0 EDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422707827 447722946 /nfs/dbraw/zinc/72/29/46/447722946.db2.gz HXVZZJWSKUTTBY-KBXCAEBGSA-N 2 1 331.460 1.474 20 0 EDADMP COC(=O)[C@H](CC(C)C)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000429154994 447731425 /nfs/dbraw/zinc/73/14/25/447731425.db2.gz IGMMIHMHQPFDGI-KRWDZBQOSA-N 2 1 327.513 1.922 20 0 EDADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000417251274 447737204 /nfs/dbraw/zinc/73/72/04/447737204.db2.gz HKEUQLJPVDXNBW-IVSAIRAKSA-N 2 1 328.476 1.696 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000417251274 447737206 /nfs/dbraw/zinc/73/72/06/447737206.db2.gz HKEUQLJPVDXNBW-IVSAIRAKSA-N 2 1 328.476 1.696 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000417255680 447738476 /nfs/dbraw/zinc/73/84/76/447738476.db2.gz PZMCPYNCZHUXDD-BPKGMFCQSA-N 2 1 340.512 1.501 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459730484 447754321 /nfs/dbraw/zinc/75/43/21/447754321.db2.gz KGJFDQFCCYBOIX-INIZCTEOSA-N 2 1 333.476 1.975 20 0 EDADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458333252 447771150 /nfs/dbraw/zinc/77/11/50/447771150.db2.gz AVXVKGOYTNQAOD-IXDOHACOSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000458333252 447771152 /nfs/dbraw/zinc/77/11/52/447771152.db2.gz AVXVKGOYTNQAOD-IXDOHACOSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430594534 447782836 /nfs/dbraw/zinc/78/28/36/447782836.db2.gz GLOYNWCLNBWISD-XQQFMLRXSA-N 2 1 336.411 1.922 20 0 EDADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430594534 447782840 /nfs/dbraw/zinc/78/28/40/447782840.db2.gz GLOYNWCLNBWISD-XQQFMLRXSA-N 2 1 336.411 1.922 20 0 EDADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422981779 447787080 /nfs/dbraw/zinc/78/70/80/447787080.db2.gz UHGCKNPVVZVMMJ-LXKKFAQKSA-N 2 1 329.488 1.742 20 0 EDADMP OC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422981779 447787084 /nfs/dbraw/zinc/78/70/84/447787084.db2.gz UHGCKNPVVZVMMJ-LXKKFAQKSA-N 2 1 329.488 1.742 20 0 EDADMP COc1ccc([C@H](NC[C@@H]2C[N@@H+](C3CC3)CCO2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423035052 447795613 /nfs/dbraw/zinc/79/56/13/447795613.db2.gz YKLAVVLDQXKAQT-AABGKKOBSA-N 2 1 345.487 1.941 20 0 EDADMP COc1ccc([C@H](NC[C@@H]2C[N@H+](C3CC3)CCO2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423035052 447795615 /nfs/dbraw/zinc/79/56/15/447795615.db2.gz YKLAVVLDQXKAQT-AABGKKOBSA-N 2 1 345.487 1.941 20 0 EDADMP FC(F)Oc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)ccn1 ZINC000423112390 447807765 /nfs/dbraw/zinc/80/77/65/447807765.db2.gz XJRTZGUZHDLGCR-MCIONIFRSA-N 2 1 327.375 1.930 20 0 EDADMP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423111743 447807849 /nfs/dbraw/zinc/80/78/49/447807849.db2.gz JDIXLBAMMSLHGK-NXHRZFHOSA-N 2 1 331.460 1.787 20 0 EDADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000496728587 447860748 /nfs/dbraw/zinc/86/07/48/447860748.db2.gz VRSCHMWEVFNHFA-ROUUACIJSA-N 2 1 341.496 1.680 20 0 EDADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000496728587 447860752 /nfs/dbraw/zinc/86/07/52/447860752.db2.gz VRSCHMWEVFNHFA-ROUUACIJSA-N 2 1 341.496 1.680 20 0 EDADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000496728587 447860756 /nfs/dbraw/zinc/86/07/56/447860756.db2.gz VRSCHMWEVFNHFA-ROUUACIJSA-N 2 1 341.496 1.680 20 0 EDADMP CN(C[C@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1)C(=O)OC(C)(C)C ZINC000496729740 447861708 /nfs/dbraw/zinc/86/17/08/447861708.db2.gz FNUOBBKBUZDKEC-UYSNPLJNSA-N 2 1 341.496 1.821 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496747637 447877596 /nfs/dbraw/zinc/87/75/96/447877596.db2.gz FSSNGJZVYRZSFC-MRXNPFEDSA-N 2 1 341.496 1.773 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496747637 447877598 /nfs/dbraw/zinc/87/75/98/447877598.db2.gz FSSNGJZVYRZSFC-MRXNPFEDSA-N 2 1 341.496 1.773 20 0 EDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496747637 447877603 /nfs/dbraw/zinc/87/76/03/447877603.db2.gz FSSNGJZVYRZSFC-MRXNPFEDSA-N 2 1 341.496 1.773 20 0 EDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496747637 447877608 /nfs/dbraw/zinc/87/76/08/447877608.db2.gz FSSNGJZVYRZSFC-MRXNPFEDSA-N 2 1 341.496 1.773 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000496821280 447941663 /nfs/dbraw/zinc/94/16/63/447941663.db2.gz PSKRLTYMMZYJRD-IAGOWNOFSA-N 2 1 341.496 1.822 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)CCCC[NH+](C)C)cc2)CC1 ZINC000552363161 447947920 /nfs/dbraw/zinc/94/79/20/447947920.db2.gz FBIKQIVGTGVPBR-UHFFFAOYSA-N 2 1 346.519 1.782 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)cc1)C1CC1 ZINC000575871496 447917394 /nfs/dbraw/zinc/91/73/94/447917394.db2.gz FGQOPJCZZYTMOQ-RBUKOAKNSA-N 2 1 343.471 1.874 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000576220231 448002024 /nfs/dbraw/zinc/00/20/24/448002024.db2.gz HRUXSWSHYIZMAC-QGZVFWFLSA-N 2 1 348.443 1.429 20 0 EDADMP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000576220230 448002266 /nfs/dbraw/zinc/00/22/66/448002266.db2.gz HRUXSWSHYIZMAC-KRWDZBQOSA-N 2 1 348.443 1.429 20 0 EDADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000576222199 448003762 /nfs/dbraw/zinc/00/37/62/448003762.db2.gz RHTJRNBWZIXTIZ-ZACQAIPSSA-N 2 1 347.507 1.623 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531056127 448009894 /nfs/dbraw/zinc/00/98/94/448009894.db2.gz MSLYRHULMBNYKZ-LJQANCHMSA-N 2 1 333.476 1.472 20 0 EDADMP CCCC[NH+](C)CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531056127 448009902 /nfs/dbraw/zinc/00/99/02/448009902.db2.gz MSLYRHULMBNYKZ-LJQANCHMSA-N 2 1 333.476 1.472 20 0 EDADMP CCCC[NH+](C)CCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531056127 448009909 /nfs/dbraw/zinc/00/99/09/448009909.db2.gz MSLYRHULMBNYKZ-LJQANCHMSA-N 2 1 333.476 1.472 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576290986 448021489 /nfs/dbraw/zinc/02/14/89/448021489.db2.gz VXNZUFZRSGRKML-RBUKOAKNSA-N 2 1 345.487 1.472 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497029961 448138695 /nfs/dbraw/zinc/13/86/95/448138695.db2.gz UCESPPWEXPEOPQ-HOTGVXAUSA-N 2 1 343.512 1.878 20 0 EDADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497029961 448138698 /nfs/dbraw/zinc/13/86/98/448138698.db2.gz UCESPPWEXPEOPQ-HOTGVXAUSA-N 2 1 343.512 1.878 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497029961 448138702 /nfs/dbraw/zinc/13/87/02/448138702.db2.gz UCESPPWEXPEOPQ-HOTGVXAUSA-N 2 1 343.512 1.878 20 0 EDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497029961 448138707 /nfs/dbraw/zinc/13/87/07/448138707.db2.gz UCESPPWEXPEOPQ-HOTGVXAUSA-N 2 1 343.512 1.878 20 0 EDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497029961 448138711 /nfs/dbraw/zinc/13/87/11/448138711.db2.gz UCESPPWEXPEOPQ-HOTGVXAUSA-N 2 1 343.512 1.878 20 0 EDADMP CC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000556723872 448145129 /nfs/dbraw/zinc/14/51/29/448145129.db2.gz BZRMOXCOSGMWMB-FHWLQOOXSA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000556723872 448145130 /nfs/dbraw/zinc/14/51/30/448145130.db2.gz BZRMOXCOSGMWMB-FHWLQOOXSA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000556723872 448145135 /nfs/dbraw/zinc/14/51/35/448145135.db2.gz BZRMOXCOSGMWMB-FHWLQOOXSA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000556723872 448145137 /nfs/dbraw/zinc/14/51/37/448145137.db2.gz BZRMOXCOSGMWMB-FHWLQOOXSA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000556723872 448145141 /nfs/dbraw/zinc/14/51/41/448145141.db2.gz BZRMOXCOSGMWMB-FHWLQOOXSA-N 2 1 345.487 1.734 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000556933256 448173380 /nfs/dbraw/zinc/17/33/80/448173380.db2.gz GWECCOJQVIDAFJ-SFHVURJKSA-N 2 1 330.476 1.989 20 0 EDADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000556933256 448173384 /nfs/dbraw/zinc/17/33/84/448173384.db2.gz GWECCOJQVIDAFJ-SFHVURJKSA-N 2 1 330.476 1.989 20 0 EDADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000556933256 448173391 /nfs/dbraw/zinc/17/33/91/448173391.db2.gz GWECCOJQVIDAFJ-SFHVURJKSA-N 2 1 330.476 1.989 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)C[N@H+]1Cc1ccccc1 ZINC000571625458 448181722 /nfs/dbraw/zinc/18/17/22/448181722.db2.gz CSOJQAIPNJHKDI-BPQIPLTHSA-N 2 1 346.475 1.327 20 0 EDADMP Cc1nc2ccc(C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)cc2n1C ZINC000527283437 448201433 /nfs/dbraw/zinc/20/14/33/448201433.db2.gz BIQRNQYZFVOGBL-INIZCTEOSA-N 2 1 344.459 1.968 20 0 EDADMP Cc1nc2ccc(C(=O)NC[C@H]3CN(CC(C)C)CCO3)cc2n1C ZINC000527283437 448201436 /nfs/dbraw/zinc/20/14/36/448201436.db2.gz BIQRNQYZFVOGBL-INIZCTEOSA-N 2 1 344.459 1.968 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532191507 448214081 /nfs/dbraw/zinc/21/40/81/448214081.db2.gz ILWRGHQRSHJOON-SJORKVTESA-N 2 1 338.496 1.367 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)C2)CC1 ZINC000514904787 448221220 /nfs/dbraw/zinc/22/12/20/448221220.db2.gz MVJWYOFTHRRIQT-ROUUACIJSA-N 2 1 334.508 1.240 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000515029497 448243317 /nfs/dbraw/zinc/24/33/17/448243317.db2.gz SHAOSARWCVLADS-CVEARBPZSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000515029497 448243323 /nfs/dbraw/zinc/24/33/23/448243323.db2.gz SHAOSARWCVLADS-CVEARBPZSA-N 2 1 338.496 1.223 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000591309873 448317546 /nfs/dbraw/zinc/31/75/46/448317546.db2.gz KLUGKCDDADGFSJ-ZDUSSCGKSA-N 2 1 334.420 1.246 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000572104061 448285522 /nfs/dbraw/zinc/28/55/22/448285522.db2.gz MBFHITSALKWBJQ-DOTOQJQBSA-N 2 1 340.512 1.422 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000515373668 448302285 /nfs/dbraw/zinc/30/22/85/448302285.db2.gz DVUXZHGVWFUUHZ-ROUUACIJSA-N 2 1 344.459 1.415 20 0 EDADMP COc1ccc2c(c1)OC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C2 ZINC000577469533 448303733 /nfs/dbraw/zinc/30/37/33/448303733.db2.gz NZMZWDOYWNAXQB-DLBZAZTESA-N 2 1 334.460 1.681 20 0 EDADMP C[N@@H+](CCC[NH3+])Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000515845916 448356535 /nfs/dbraw/zinc/35/65/35/448356535.db2.gz XIPQOJLMNJZQBL-UHFFFAOYSA-N 2 1 341.883 1.832 20 0 EDADMP CC[NH+]1CCC(CNC(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000516586225 448445117 /nfs/dbraw/zinc/44/51/17/448445117.db2.gz OHJFBPQVKIBNIW-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000566352145 448451918 /nfs/dbraw/zinc/45/19/18/448451918.db2.gz XRUSADLIBKUTIA-KDOFPFPSSA-N 2 1 337.464 1.551 20 0 EDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000566352145 448451926 /nfs/dbraw/zinc/45/19/26/448451926.db2.gz XRUSADLIBKUTIA-KDOFPFPSSA-N 2 1 337.464 1.551 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@H+](C)C3(CCCCC3)C2)CC1 ZINC000566424116 448465782 /nfs/dbraw/zinc/46/57/82/448465782.db2.gz UKRUSLWQGUFWES-QGZVFWFLSA-N 2 1 336.524 1.489 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@@H+](C)C3(CCCCC3)C2)CC1 ZINC000566424116 448465787 /nfs/dbraw/zinc/46/57/87/448465787.db2.gz UKRUSLWQGUFWES-QGZVFWFLSA-N 2 1 336.524 1.489 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N(C)C2CC[NH2+]CC2)n1 ZINC000516857626 448483384 /nfs/dbraw/zinc/48/33/84/448483384.db2.gz OHRRCVWGQHDONS-WBVHZDCISA-N 2 1 333.480 2.280 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000566471120 448485678 /nfs/dbraw/zinc/48/56/78/448485678.db2.gz NPOVZXYMNFBFLR-AWEZNQCLSA-N 2 1 349.479 1.111 20 0 EDADMP O[C@@H](CN[C@@H]1c2ccccc2C[C@@H]1O)C[N@@H+]1CCc2ccccc2C1 ZINC000517236028 448559580 /nfs/dbraw/zinc/55/95/80/448559580.db2.gz GPKIFHLDVJJWTI-SESVDKBCSA-N 2 1 338.451 1.654 20 0 EDADMP O[C@@H](CN[C@@H]1c2ccccc2C[C@@H]1O)C[N@H+]1CCc2ccccc2C1 ZINC000517236028 448559586 /nfs/dbraw/zinc/55/95/86/448559586.db2.gz GPKIFHLDVJJWTI-SESVDKBCSA-N 2 1 338.451 1.654 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](O)CC3(O)CCC3)CC2)CC1 ZINC000528525935 448569622 /nfs/dbraw/zinc/56/96/22/448569622.db2.gz GNRMZYUMKRMTEC-SFHVURJKSA-N 2 1 339.524 1.144 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CS(=O)(=O)CCO2)cc1 ZINC000537949440 448574596 /nfs/dbraw/zinc/57/45/96/448574596.db2.gz FZGSWJOHCXTEQC-DYVFJYSZSA-N 2 1 349.456 1.645 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc4c(c(Cl)c3)OCO4)C2)nn1 ZINC000584581470 448577863 /nfs/dbraw/zinc/57/78/63/448577863.db2.gz YBZVURQPEPYHGR-ZDUSSCGKSA-N 2 1 349.822 1.956 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc4c(c(Cl)c3)OCO4)C2)nn1 ZINC000584581470 448577867 /nfs/dbraw/zinc/57/78/67/448577867.db2.gz YBZVURQPEPYHGR-ZDUSSCGKSA-N 2 1 349.822 1.956 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC[NH2+][C@H]3C)cc2)CC1 ZINC000566676098 448535772 /nfs/dbraw/zinc/53/57/72/448535772.db2.gz RVUOZEKDHKHADT-LPHOPBHVSA-N 2 1 344.503 1.438 20 0 EDADMP COc1cccc(CN(CC[NH+](C)C)C(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000573264510 448583779 /nfs/dbraw/zinc/58/37/79/448583779.db2.gz ANFMAEQXAJQZAZ-UHFFFAOYSA-N 2 1 333.476 1.927 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(OC)cc2OC)CC1 ZINC000528673889 448624953 /nfs/dbraw/zinc/62/49/53/448624953.db2.gz WRYYEWJVMPGHOV-AWEZNQCLSA-N 2 1 349.475 1.955 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)C[C@H](C)O1 ZINC000540907945 448653733 /nfs/dbraw/zinc/65/37/33/448653733.db2.gz MRZSCSJQHPNEGS-SOLBZPMBSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[NH2+]CCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000567264951 448654072 /nfs/dbraw/zinc/65/40/72/448654072.db2.gz UMUIPCOTTFPCDX-INIZCTEOSA-N 2 1 346.475 1.711 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000528811886 448685883 /nfs/dbraw/zinc/68/58/83/448685883.db2.gz UITYLMXQJMLDTE-HNNXBMFYSA-N 2 1 332.404 1.132 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCc2nc(-c3ccccc3)no2)CC12CCOCC2 ZINC000567502348 448704870 /nfs/dbraw/zinc/70/48/70/448704870.db2.gz ICVUBNABMSWKDZ-MRXNPFEDSA-N 2 1 342.443 1.966 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)[C@@H]1SC ZINC000592168960 448720968 /nfs/dbraw/zinc/72/09/68/448720968.db2.gz PFXBPIVDWNSAGK-TVFCKZIOSA-N 2 1 338.517 1.978 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)[C@@H]1SC ZINC000592168960 448720970 /nfs/dbraw/zinc/72/09/70/448720970.db2.gz PFXBPIVDWNSAGK-TVFCKZIOSA-N 2 1 338.517 1.978 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000567754488 448752661 /nfs/dbraw/zinc/75/26/61/448752661.db2.gz YQWRCGYGPYEVEF-QRQLOZEOSA-N 2 1 344.503 1.943 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@@H]1CCC[NH2+]C1 ZINC000519634083 448805975 /nfs/dbraw/zinc/80/59/75/448805975.db2.gz FCEXPYGJQCBEAD-MSOLQXFVSA-N 2 1 330.476 1.807 20 0 EDADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000529344658 448833965 /nfs/dbraw/zinc/83/39/65/448833965.db2.gz RNVHWTAHENILGG-ZWKOTPCHSA-N 2 1 330.476 1.900 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC[N@H+]1CCOC ZINC000529354864 448838372 /nfs/dbraw/zinc/83/83/72/448838372.db2.gz KMDGHKMSGIZKJY-CVEARBPZSA-N 2 1 338.496 1.413 20 0 EDADMP CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000574293469 448840566 /nfs/dbraw/zinc/84/05/66/448840566.db2.gz UMMOBMASXLHAAC-KRWDZBQOSA-N 2 1 346.475 1.823 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)cn2)CC1 ZINC000579673767 448846694 /nfs/dbraw/zinc/84/66/94/448846694.db2.gz XRIOXHHXLQGTSJ-KSZLIROESA-N 2 1 345.491 1.354 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)cn2)CC1 ZINC000579673767 448846700 /nfs/dbraw/zinc/84/67/00/448846700.db2.gz XRIOXHHXLQGTSJ-KSZLIROESA-N 2 1 345.491 1.354 20 0 EDADMP COC(=O)COc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000592527159 448878535 /nfs/dbraw/zinc/87/85/35/448878535.db2.gz LUBRKNKWYVBOHL-UHFFFAOYSA-N 2 1 348.443 1.535 20 0 EDADMP COC(=O)COc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000592527159 448878538 /nfs/dbraw/zinc/87/85/38/448878538.db2.gz LUBRKNKWYVBOHL-UHFFFAOYSA-N 2 1 348.443 1.535 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000568372664 448863531 /nfs/dbraw/zinc/86/35/31/448863531.db2.gz GMPMNIOUHLEZIG-JQHSSLGASA-N 2 1 346.475 1.409 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000574567110 448903149 /nfs/dbraw/zinc/90/31/49/448903149.db2.gz WMRBRXGIIOZMSU-ZACQAIPSSA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000574567110 448903151 /nfs/dbraw/zinc/90/31/51/448903151.db2.gz WMRBRXGIIOZMSU-ZACQAIPSSA-N 2 1 340.512 1.658 20 0 EDADMP CN(CCC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)c1cc[nH+]cc1 ZINC000547785105 448927991 /nfs/dbraw/zinc/92/79/91/448927991.db2.gz GKSZTXOAARBYSV-UHFFFAOYSA-N 2 1 347.507 1.440 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)CC2)CC1 ZINC000574701988 448937261 /nfs/dbraw/zinc/93/72/61/448937261.db2.gz PXWIFAXECISPRM-WDSOQIARSA-N 2 1 349.519 1.412 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)nn1 ZINC000574739587 448944076 /nfs/dbraw/zinc/94/40/76/448944076.db2.gz RIMUENLBHMBIMK-QGZVFWFLSA-N 2 1 337.431 1.964 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569337840 449005484 /nfs/dbraw/zinc/00/54/84/449005484.db2.gz WUBYHYIXMDRNNC-WDYCEAGBSA-N 2 1 333.476 1.910 20 0 EDADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000575073325 449030777 /nfs/dbraw/zinc/03/07/77/449030777.db2.gz ZGERHLGAAJBOAL-WMZOPIPTSA-N 2 1 339.443 1.233 20 0 EDADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000575073325 449030783 /nfs/dbraw/zinc/03/07/83/449030783.db2.gz ZGERHLGAAJBOAL-WMZOPIPTSA-N 2 1 339.443 1.233 20 0 EDADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000530220005 449084102 /nfs/dbraw/zinc/08/41/02/449084102.db2.gz AXAOJYLSXPCOOA-MSOLQXFVSA-N 2 1 347.438 1.771 20 0 EDADMP COc1cccc(C[N@@H+](CCN2CC[NH2+]CC2)C[C@@H]2CCCO2)c1 ZINC000569605299 449056649 /nfs/dbraw/zinc/05/66/49/449056649.db2.gz KQDLJEWLAJHUHV-IBGZPJMESA-N 2 1 333.476 1.581 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000582301944 449061946 /nfs/dbraw/zinc/06/19/46/449061946.db2.gz JGNMPILUNVZMHK-SQNIBIBYSA-N 2 1 331.460 1.004 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000582301944 449061952 /nfs/dbraw/zinc/06/19/52/449061952.db2.gz JGNMPILUNVZMHK-SQNIBIBYSA-N 2 1 331.460 1.004 20 0 EDADMP COC(=O)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000597941542 449151509 /nfs/dbraw/zinc/15/15/09/449151509.db2.gz BOTWQJSJPMGHEK-LBPRGKRZSA-N 2 1 341.477 1.537 20 0 EDADMP COC(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000597941542 449151525 /nfs/dbraw/zinc/15/15/25/449151525.db2.gz BOTWQJSJPMGHEK-LBPRGKRZSA-N 2 1 341.477 1.537 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)nc1 ZINC000593737654 449172470 /nfs/dbraw/zinc/17/24/70/449172470.db2.gz SFONIYYUCJLISL-UXLLHSPISA-N 2 1 333.432 1.587 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000593739260 449173115 /nfs/dbraw/zinc/17/31/15/449173115.db2.gz ZZKNRCLQIRYKAF-UGSOOPFHSA-N 2 1 346.431 1.404 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000593739260 449173124 /nfs/dbraw/zinc/17/31/24/449173124.db2.gz ZZKNRCLQIRYKAF-UGSOOPFHSA-N 2 1 346.431 1.404 20 0 EDADMP CCOC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)on1 ZINC000590593205 449207947 /nfs/dbraw/zinc/20/79/47/449207947.db2.gz MDJQOAYDHREHTM-UHFFFAOYSA-N 2 1 337.420 1.396 20 0 EDADMP COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000600190555 449235005 /nfs/dbraw/zinc/23/50/05/449235005.db2.gz HDNVMYSOVPLELL-GOSISDBHSA-N 2 1 336.432 1.391 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)[C@@H]1CCC[NH3+] ZINC000595904506 449244972 /nfs/dbraw/zinc/24/49/72/449244972.db2.gz DWEVDHSLLCJZKT-NVXWUHKLSA-N 2 1 346.475 1.852 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000593913708 449282329 /nfs/dbraw/zinc/28/23/29/449282329.db2.gz YMDLGMKKNUTJJY-ROUUACIJSA-N 2 1 346.475 1.131 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000593913708 449282337 /nfs/dbraw/zinc/28/23/37/449282337.db2.gz YMDLGMKKNUTJJY-ROUUACIJSA-N 2 1 346.475 1.131 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000593913708 449282346 /nfs/dbraw/zinc/28/23/46/449282346.db2.gz YMDLGMKKNUTJJY-ROUUACIJSA-N 2 1 346.475 1.131 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000606700655 449511180 /nfs/dbraw/zinc/51/11/80/449511180.db2.gz OBLBKGYBSDLWHP-RDJZCZTQSA-N 2 1 340.512 1.469 20 0 EDADMP COC(=O)COc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000594502842 449558822 /nfs/dbraw/zinc/55/88/22/449558822.db2.gz QRXNYMSIPGPIJN-KRWDZBQOSA-N 2 1 348.443 1.581 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2ccccc2[nH]c1=O ZINC000617504291 449649876 /nfs/dbraw/zinc/64/98/76/449649876.db2.gz OLJCPWPFGWTGGB-AWEZNQCLSA-N 2 1 344.459 1.942 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2ccccc2[nH]c1=O ZINC000617504291 449649883 /nfs/dbraw/zinc/64/98/83/449649883.db2.gz OLJCPWPFGWTGGB-AWEZNQCLSA-N 2 1 344.459 1.942 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CSc1ccc(O)cc1 ZINC000617506496 449651784 /nfs/dbraw/zinc/65/17/84/449651784.db2.gz PRNCGHNQRBTNLP-AWEZNQCLSA-N 2 1 339.505 1.873 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CSc1ccc(O)cc1 ZINC000617506496 449651787 /nfs/dbraw/zinc/65/17/87/449651787.db2.gz PRNCGHNQRBTNLP-AWEZNQCLSA-N 2 1 339.505 1.873 20 0 EDADMP Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)sc2nccn12 ZINC000617506148 449653389 /nfs/dbraw/zinc/65/33/89/449653389.db2.gz BWIRYMKPJKHPBK-LBPRGKRZSA-N 2 1 337.493 1.706 20 0 EDADMP Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)sc2nccn12 ZINC000617506148 449653423 /nfs/dbraw/zinc/65/34/23/449653423.db2.gz BWIRYMKPJKHPBK-LBPRGKRZSA-N 2 1 337.493 1.706 20 0 EDADMP COC(=O)c1csc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000602551454 449669067 /nfs/dbraw/zinc/66/90/67/449669067.db2.gz NOLZGGSCJNKPOO-CQSZACIVSA-N 2 1 326.462 1.861 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2c1OCCCO2 ZINC000617502456 449644007 /nfs/dbraw/zinc/64/40/07/449644007.db2.gz POPUSVQNCJLCTD-HNNXBMFYSA-N 2 1 349.475 1.850 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2c1OCCCO2 ZINC000617502456 449644011 /nfs/dbraw/zinc/64/40/11/449644011.db2.gz POPUSVQNCJLCTD-HNNXBMFYSA-N 2 1 349.475 1.850 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C ZINC000617504164 449646323 /nfs/dbraw/zinc/64/63/23/449646323.db2.gz INNGZKGKSCHIJX-HDMKZQKVSA-N 2 1 349.475 1.603 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C ZINC000617504164 449646325 /nfs/dbraw/zinc/64/63/25/449646325.db2.gz INNGZKGKSCHIJX-HDMKZQKVSA-N 2 1 349.475 1.603 20 0 EDADMP Cc1ccn2cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc2c1 ZINC000617503910 449647602 /nfs/dbraw/zinc/64/76/02/449647602.db2.gz AFZNIJBGFHKSAB-HNNXBMFYSA-N 2 1 331.464 1.645 20 0 EDADMP Cc1ccn2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc2c1 ZINC000617503910 449647605 /nfs/dbraw/zinc/64/76/05/449647605.db2.gz AFZNIJBGFHKSAB-HNNXBMFYSA-N 2 1 331.464 1.645 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000601328652 449836375 /nfs/dbraw/zinc/83/63/75/449836375.db2.gz WRTIITQMRDDOKT-JKSUJKDBSA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc4c3CCOC4)C2)CC1 ZINC000602775019 449798322 /nfs/dbraw/zinc/79/83/22/449798322.db2.gz DBLPFLQHXCBEKR-IBGZPJMESA-N 2 1 329.488 1.971 20 0 EDADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000612978151 449968916 /nfs/dbraw/zinc/96/89/16/449968916.db2.gz SSMYHQQIUMMYLH-BZUAXINKSA-N 2 1 336.480 1.071 20 0 EDADMP C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000615266131 450029379 /nfs/dbraw/zinc/02/93/79/450029379.db2.gz LCIJTOYXIWGBQF-DLBZAZTESA-N 2 1 341.415 1.203 20 0 EDADMP C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000615266131 450029383 /nfs/dbraw/zinc/02/93/83/450029383.db2.gz LCIJTOYXIWGBQF-DLBZAZTESA-N 2 1 341.415 1.203 20 0 EDADMP CN(CCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C)c1cc[nH+]cc1 ZINC000615268339 450031950 /nfs/dbraw/zinc/03/19/50/450031950.db2.gz GWPINAJLHOQSCN-IRXDYDNUSA-N 2 1 332.448 1.230 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)[C@H]1CCOC1 ZINC000595341288 450053967 /nfs/dbraw/zinc/05/39/67/450053967.db2.gz VGFQHEWBDIALNI-OKZBNKHCSA-N 2 1 325.497 1.138 20 0 EDADMP COC(=O)CCN1CC[C@@H]([N@@H+](C)CCCC[NH+]2CCCCC2)C1=O ZINC000603122372 450082803 /nfs/dbraw/zinc/08/28/03/450082803.db2.gz VUHTUXOEPSDGRM-MRXNPFEDSA-N 2 1 339.480 1.348 20 0 EDADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000618560756 450244401 /nfs/dbraw/zinc/24/44/01/450244401.db2.gz MLXHGNYZMMCGRH-KRWDZBQOSA-N 2 1 336.455 1.993 20 0 EDADMP CCOC(=O)CN(C(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1 ZINC000603432463 450300170 /nfs/dbraw/zinc/30/01/70/450300170.db2.gz INMCUPZLUHTHEE-CABCVRRESA-N 2 1 333.432 1.298 20 0 EDADMP CC[NH+]1CCN(CCC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000621106014 450581552 /nfs/dbraw/zinc/58/15/52/450581552.db2.gz CDAGOJLWVWZZBZ-SFHVURJKSA-N 2 1 336.524 1.252 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000621106014 450581555 /nfs/dbraw/zinc/58/15/55/450581555.db2.gz CDAGOJLWVWZZBZ-SFHVURJKSA-N 2 1 336.524 1.252 20 0 EDADMP CCN1CC[NH+](CCC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000621106014 450581558 /nfs/dbraw/zinc/58/15/58/450581558.db2.gz CDAGOJLWVWZZBZ-SFHVURJKSA-N 2 1 336.524 1.252 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)c1ccccc1 ZINC000626140189 450581589 /nfs/dbraw/zinc/58/15/89/450581589.db2.gz RCNOJCDJYXVZHF-DODZYUBVSA-N 2 1 331.460 1.251 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000621153256 450602374 /nfs/dbraw/zinc/60/23/74/450602374.db2.gz OAAISIIXUDBWIV-OALUTQOASA-N 2 1 344.503 1.432 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)N[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000633080546 450667135 /nfs/dbraw/zinc/66/71/35/450667135.db2.gz CVWHPKUZBRXCOR-MSOLQXFVSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[NH+](C)C3)C2)cc1 ZINC000633080546 450667138 /nfs/dbraw/zinc/66/71/38/450667138.db2.gz CVWHPKUZBRXCOR-MSOLQXFVSA-N 2 1 330.476 1.963 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[NH+](C)C3)C2)cc1 ZINC000633080546 450667143 /nfs/dbraw/zinc/66/71/43/450667143.db2.gz CVWHPKUZBRXCOR-MSOLQXFVSA-N 2 1 330.476 1.963 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635126107 450670452 /nfs/dbraw/zinc/67/04/52/450670452.db2.gz UQXFKRLLFVPUBH-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP Nc1nc(N)[nH+]c(NCc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000623909235 450632463 /nfs/dbraw/zinc/63/24/63/450632463.db2.gz MGSCIBRVEWIOBC-UHFFFAOYSA-N 2 1 327.436 1.107 20 0 EDADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635148639 450694916 /nfs/dbraw/zinc/69/49/16/450694916.db2.gz HBYYISZVENNPEK-SFHVURJKSA-N 2 1 345.487 1.736 20 0 EDADMP O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000635161063 450705771 /nfs/dbraw/zinc/70/57/71/450705771.db2.gz XWOKJEQVDWVLMR-RBUKOAKNSA-N 2 1 343.471 1.584 20 0 EDADMP O=C([C@H]1C[NH+]2CCC[C@H]2CO1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000635161063 450705778 /nfs/dbraw/zinc/70/57/78/450705778.db2.gz XWOKJEQVDWVLMR-RBUKOAKNSA-N 2 1 343.471 1.584 20 0 EDADMP O=C([C@H]1C[NH+]2CCC[C@H]2CO1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000635161063 450705784 /nfs/dbraw/zinc/70/57/84/450705784.db2.gz XWOKJEQVDWVLMR-RBUKOAKNSA-N 2 1 343.471 1.584 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)[C@H](C)C1 ZINC000624113470 450710428 /nfs/dbraw/zinc/71/04/28/450710428.db2.gz GQBGEANGMROGQL-ILXRZTDVSA-N 2 1 329.452 1.023 20 0 EDADMP O=S(=O)(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccn1 ZINC000629532188 450726440 /nfs/dbraw/zinc/72/64/40/450726440.db2.gz PTNPAPOVTNIPQY-HOTGVXAUSA-N 2 1 337.489 1.567 20 0 EDADMP O=S(=O)(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccn1 ZINC000629532188 450726441 /nfs/dbraw/zinc/72/64/41/450726441.db2.gz PTNPAPOVTNIPQY-HOTGVXAUSA-N 2 1 337.489 1.567 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)CC(C)(C)C ZINC000635183367 450726878 /nfs/dbraw/zinc/72/68/78/450726878.db2.gz OIPUOVXMPZQFBY-UHFFFAOYSA-N 2 1 347.507 1.428 20 0 EDADMP Cc1cc(NC(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)no1 ZINC000629561568 450736242 /nfs/dbraw/zinc/73/62/42/450736242.db2.gz JKRCUJWEFGTKNC-QWRGUYRKSA-N 2 1 334.342 1.771 20 0 EDADMP Cc1cc(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)no1 ZINC000629561568 450736246 /nfs/dbraw/zinc/73/62/46/450736246.db2.gz JKRCUJWEFGTKNC-QWRGUYRKSA-N 2 1 334.342 1.771 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000631782039 450771394 /nfs/dbraw/zinc/77/13/94/450771394.db2.gz AGILOFCUKXMQDZ-OKZBNKHCSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H](C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000635258255 450790168 /nfs/dbraw/zinc/79/01/68/450790168.db2.gz SXQJWTHSSLNGQA-SJLPKXTDSA-N 2 1 332.492 1.432 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000635279335 450809586 /nfs/dbraw/zinc/80/95/86/450809586.db2.gz OSPKOGGZSBNTTO-KRWDZBQOSA-N 2 1 330.476 1.714 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)C[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000635279335 450809591 /nfs/dbraw/zinc/80/95/91/450809591.db2.gz OSPKOGGZSBNTTO-KRWDZBQOSA-N 2 1 330.476 1.714 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)C[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000635279335 450809596 /nfs/dbraw/zinc/80/95/96/450809596.db2.gz OSPKOGGZSBNTTO-KRWDZBQOSA-N 2 1 330.476 1.714 20 0 EDADMP [NH3+]Cc1nc(-c2ccc(NC(=O)CC[C@H]3CCC[NH2+]C3)cc2)n[nH]1 ZINC000621656027 450817428 /nfs/dbraw/zinc/81/74/28/450817428.db2.gz FPYRJUXTIMEWHT-GFCCVEGCSA-N 2 1 328.420 1.649 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)cc2)CC1 ZINC000621698918 450839723 /nfs/dbraw/zinc/83/97/23/450839723.db2.gz IQKHAWCYGVLJJR-AZUAARDMSA-N 2 1 342.487 1.387 20 0 EDADMP CCn1nccc1CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000621775101 450862692 /nfs/dbraw/zinc/86/26/92/450862692.db2.gz GEOGQOITCFAJLJ-WBVHZDCISA-N 2 1 333.480 1.026 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627741253 450912920 /nfs/dbraw/zinc/91/29/20/450912920.db2.gz YXGCVUNTKNKEAQ-UHFFFAOYSA-N 2 1 332.448 1.475 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000627741253 450912927 /nfs/dbraw/zinc/91/29/27/450912927.db2.gz YXGCVUNTKNKEAQ-UHFFFAOYSA-N 2 1 332.448 1.475 20 0 EDADMP C[NH2+]CCOCCNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000626939986 451021363 /nfs/dbraw/zinc/02/13/63/451021363.db2.gz QJDTXQHGCLNCHX-CYBMUJFWSA-N 2 1 340.493 1.030 20 0 EDADMP C[NH2+]CCOCCNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000626939986 451021369 /nfs/dbraw/zinc/02/13/69/451021369.db2.gz QJDTXQHGCLNCHX-CYBMUJFWSA-N 2 1 340.493 1.030 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@@H]3CC[NH2+]C3)c2)CCO1 ZINC000626949506 451028538 /nfs/dbraw/zinc/02/85/38/451028538.db2.gz OIFSGIKGLCEEEF-WMLDXEAASA-N 2 1 332.448 1.068 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@@H]3CC[NH2+]C3)c2)CCO1 ZINC000626949506 451028542 /nfs/dbraw/zinc/02/85/42/451028542.db2.gz OIFSGIKGLCEEEF-WMLDXEAASA-N 2 1 332.448 1.068 20 0 EDADMP C[NH+](C)CCn1c2cc(C(=O)NC[C@H]3CCC[N@H+]3C)ccc2[nH]c1=O ZINC000635559841 451057522 /nfs/dbraw/zinc/05/75/22/451057522.db2.gz WAXCFUWJRAISDV-CQSZACIVSA-N 2 1 345.447 1.128 20 0 EDADMP C[C@]1(CNC(=O)NC[C@@H]2COCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000627016635 451081352 /nfs/dbraw/zinc/08/13/52/451081352.db2.gz QYNIIYOQSDKSEN-IEBWSBKVSA-N 2 1 346.475 1.329 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C3(C[NH+](C)C)CC3)CC2)oc1C ZINC000635550351 451046930 /nfs/dbraw/zinc/04/69/30/451046930.db2.gz GLPNAGDYWVTAIZ-UHFFFAOYSA-N 2 1 348.491 1.961 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635613508 451105594 /nfs/dbraw/zinc/10/55/94/451105594.db2.gz AKPVHLVETZRCOW-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP CCN(C(=O)NCCOCC[NH2+]C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627174847 451165079 /nfs/dbraw/zinc/16/50/79/451165079.db2.gz TWDGEJIJTCICNP-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625116644 451171927 /nfs/dbraw/zinc/17/19/27/451171927.db2.gz AKOKDVOVOXTUFG-QZTJIDSGSA-N 2 1 339.524 1.672 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCOCCC[NH3+] ZINC000627214622 451191065 /nfs/dbraw/zinc/19/10/65/451191065.db2.gz TYLKVCJOLVOAPT-QGZVFWFLSA-N 2 1 348.491 1.658 20 0 EDADMP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000635719420 451197160 /nfs/dbraw/zinc/19/71/60/451197160.db2.gz LKGSMDMQSXVHHG-AEFFLSMTSA-N 2 1 349.519 1.820 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635725090 451200950 /nfs/dbraw/zinc/20/09/50/451200950.db2.gz PIRSJZUIKVZGSL-QGZVFWFLSA-N 2 1 337.508 1.820 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635725090 451200953 /nfs/dbraw/zinc/20/09/53/451200953.db2.gz PIRSJZUIKVZGSL-QGZVFWFLSA-N 2 1 337.508 1.820 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000632337767 451208284 /nfs/dbraw/zinc/20/82/84/451208284.db2.gz WAQWKBIYLFCZBA-OAHLLOKOSA-N 2 1 331.457 1.300 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000634194199 451230943 /nfs/dbraw/zinc/23/09/43/451230943.db2.gz GTXJCZSOORLZRB-INIZCTEOSA-N 2 1 331.464 1.646 20 0 EDADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@]1(CO)CCOC1 ZINC000628366610 451229158 /nfs/dbraw/zinc/22/91/58/451229158.db2.gz URAQVWLBQOMUQW-IBGZPJMESA-N 2 1 334.460 1.744 20 0 EDADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000625245844 451237348 /nfs/dbraw/zinc/23/73/48/451237348.db2.gz LUHPRDRQGNOWRC-UHFFFAOYSA-N 2 1 339.867 1.935 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000638084587 451247937 /nfs/dbraw/zinc/24/79/37/451247937.db2.gz FMPMEVZPVAZSAO-BJLQDIEVSA-N 2 1 345.487 1.434 20 0 EDADMP COC[C@@H]([NH3+])Cc1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000630595588 451268733 /nfs/dbraw/zinc/26/87/33/451268733.db2.gz HFIKVNDSYDOGMK-SJORKVTESA-N 2 1 329.448 1.316 20 0 EDADMP O=C(NC[C@H]1CCCC[NH2+]1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000634298803 451283893 /nfs/dbraw/zinc/28/38/93/451283893.db2.gz ZMMBVTOQWYPYCX-GOSISDBHSA-N 2 1 330.476 1.698 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC[N@H+]1C ZINC000634300988 451284573 /nfs/dbraw/zinc/28/45/73/451284573.db2.gz TUEGORMVXGFHPB-FUHWJXTLSA-N 2 1 328.460 1.836 20 0 EDADMP COC[C@]1(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638127339 451298341 /nfs/dbraw/zinc/29/83/41/451298341.db2.gz CNXIKYBOQZYNKY-HQRMLTQVSA-N 2 1 345.487 1.924 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]([NH3+])CCC(C)C)CC2)nc(C)[nH+]1 ZINC000638131199 451301520 /nfs/dbraw/zinc/30/15/20/451301520.db2.gz BVSQYPDXKHINTB-MRXNPFEDSA-N 2 1 333.480 1.942 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000638130934 451301921 /nfs/dbraw/zinc/30/19/21/451301921.db2.gz JWMMADJRIVYWIK-HHXXYDBFSA-N 2 1 333.476 1.780 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000636596288 451336187 /nfs/dbraw/zinc/33/61/87/451336187.db2.gz LPPUDXHZJOCBQH-IRXDYDNUSA-N 2 1 346.479 1.898 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638135370 451308718 /nfs/dbraw/zinc/30/87/18/451308718.db2.gz TXUQSNHHYZPZRP-OKZBNKHCSA-N 2 1 331.460 1.473 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C2=CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000638137387 451310825 /nfs/dbraw/zinc/31/08/25/451310825.db2.gz JSKUKARMWCNEEZ-MOPGFXCFSA-N 2 1 342.487 1.529 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C2=CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000638137387 451310828 /nfs/dbraw/zinc/31/08/28/451310828.db2.gz JSKUKARMWCNEEZ-MOPGFXCFSA-N 2 1 342.487 1.529 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C2=CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000638137387 451310833 /nfs/dbraw/zinc/31/08/33/451310833.db2.gz JSKUKARMWCNEEZ-MOPGFXCFSA-N 2 1 342.487 1.529 20 0 EDADMP [NH3+][C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2)C1CC1 ZINC000638155050 451325079 /nfs/dbraw/zinc/32/50/79/451325079.db2.gz RPKCRZWHUZJHMH-GGPKGHCWSA-N 2 1 343.471 1.379 20 0 EDADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638201578 451352532 /nfs/dbraw/zinc/35/25/32/451352532.db2.gz DAKYRJBORPMPGD-WMZOPIPTSA-N 3 1 344.503 1.484 20 0 EDADMP CC1(C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000640511876 451362738 /nfs/dbraw/zinc/36/27/38/451362738.db2.gz IKMQUZWNTBFUDB-HOTGVXAUSA-N 2 1 328.416 1.563 20 0 EDADMP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)CN(C)CCc1ccccc1 ZINC000635918624 451363944 /nfs/dbraw/zinc/36/39/44/451363944.db2.gz DOIHGDSJTUFFBW-MJGOQNOKSA-N 2 1 345.487 1.483 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635928378 451372346 /nfs/dbraw/zinc/37/23/46/451372346.db2.gz FMYOPRZFZZAXOB-HQRMLTQVSA-N 2 1 345.487 1.591 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)cn1 ZINC000632544838 451387375 /nfs/dbraw/zinc/38/73/75/451387375.db2.gz ODNRIJGJMGKOMM-UHFFFAOYSA-N 2 1 347.507 1.853 20 0 EDADMP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638277857 451396425 /nfs/dbraw/zinc/39/64/25/451396425.db2.gz WKLXWDWKDJLHHX-ROUUACIJSA-N 2 1 332.492 1.388 20 0 EDADMP C[N@H+]1CCCC[C@@H](CNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000628749185 451396769 /nfs/dbraw/zinc/39/67/69/451396769.db2.gz IIYUPJFIMVYRLD-AZUAARDMSA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000628749185 451396776 /nfs/dbraw/zinc/39/67/76/451396776.db2.gz IIYUPJFIMVYRLD-AZUAARDMSA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000628749185 451396780 /nfs/dbraw/zinc/39/67/80/451396780.db2.gz IIYUPJFIMVYRLD-AZUAARDMSA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCCNC(=O)C2)c2cccs2)CC1 ZINC000638288687 451405177 /nfs/dbraw/zinc/40/51/77/451405177.db2.gz XRNSXVJRWHPILJ-CABCVRRESA-N 2 1 336.505 1.295 20 0 EDADMP C[C@@H]1CN(CCNC(=O)Nc2cc(CN(C)C)ccn2)[C@H](C)CO1 ZINC000640576514 451420248 /nfs/dbraw/zinc/42/02/48/451420248.db2.gz WEAYLYPPLAYKAN-ZIAGYGMSSA-N 2 1 335.452 1.374 20 0 EDADMP C[N@@H+](CCC[NH2+]C[C@H](O)CC1(O)CCOCC1)C1CCCCC1 ZINC000634640646 451432246 /nfs/dbraw/zinc/43/22/46/451432246.db2.gz DBQQGIXUKYMVKR-QGZVFWFLSA-N 2 1 328.497 1.523 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCCNC(=O)C2)[C@H](c2ccccc2)C1 ZINC000638356211 451457277 /nfs/dbraw/zinc/45/72/77/451457277.db2.gz XWQVHYTXYFCFGW-OALUTQOASA-N 2 1 344.503 1.624 20 0 EDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638380252 451474824 /nfs/dbraw/zinc/47/48/24/451474824.db2.gz ADCXTCHFNYMYQP-LLVKDONJSA-N 2 1 338.253 1.923 20 0 EDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638380252 451474830 /nfs/dbraw/zinc/47/48/30/451474830.db2.gz ADCXTCHFNYMYQP-LLVKDONJSA-N 2 1 338.253 1.923 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000638399572 451487491 /nfs/dbraw/zinc/48/74/91/451487491.db2.gz IXIVCZDDIAGBBD-KSZLIROESA-N 2 1 331.460 1.698 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000638400625 451489455 /nfs/dbraw/zinc/48/94/55/451489455.db2.gz SHSAQGUBQCENFI-FHWLQOOXSA-N 2 1 344.503 1.579 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000638400625 451489459 /nfs/dbraw/zinc/48/94/59/451489459.db2.gz SHSAQGUBQCENFI-FHWLQOOXSA-N 2 1 344.503 1.579 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000638400625 451489466 /nfs/dbraw/zinc/48/94/66/451489466.db2.gz SHSAQGUBQCENFI-FHWLQOOXSA-N 2 1 344.503 1.579 20 0 EDADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000638490293 451541803 /nfs/dbraw/zinc/54/18/03/451541803.db2.gz UQWRURJQAXPKBA-MSOLQXFVSA-N 2 1 330.476 1.750 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638512485 451552143 /nfs/dbraw/zinc/55/21/43/451552143.db2.gz GOFCOJQLQPEZIU-MOPGFXCFSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccncc1Br ZINC000631067186 451565244 /nfs/dbraw/zinc/56/52/44/451565244.db2.gz HOYXMSOLIQLWDR-GFCCVEGCSA-N 2 1 327.270 1.570 20 0 EDADMP C[C@H](CCNC(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+](C)Cc1ccccc1 ZINC000636878268 451577269 /nfs/dbraw/zinc/57/72/69/451577269.db2.gz PSWIJFWYIILXNC-AEFFLSMTSA-N 2 1 348.491 1.263 20 0 EDADMP C[C@H](CCNC(=O)NCC[NH+]1CC[C@H](O)C1)[N@H+](C)Cc1ccccc1 ZINC000636878268 451577276 /nfs/dbraw/zinc/57/72/76/451577276.db2.gz PSWIJFWYIILXNC-AEFFLSMTSA-N 2 1 348.491 1.263 20 0 EDADMP C[C@H](CCNC(=O)NCC[NH+]1CC[C@H](O)C1)[N@@H+](C)Cc1ccccc1 ZINC000636878268 451577281 /nfs/dbraw/zinc/57/72/81/451577281.db2.gz PSWIJFWYIILXNC-AEFFLSMTSA-N 2 1 348.491 1.263 20 0 EDADMP [NH3+]C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCOC1 ZINC000638800763 451694888 /nfs/dbraw/zinc/69/48/88/451694888.db2.gz PUCCLALDBSXGNH-PKOBYXMFSA-N 2 1 331.460 1.380 20 0 EDADMP O=C(CN1CC[NH2+]CC1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851664 451710313 /nfs/dbraw/zinc/71/03/13/451710313.db2.gz ORUJWDHLUAXXQQ-IBGZPJMESA-N 2 1 344.503 1.453 20 0 EDADMP CC1([NH+]2CCCC2)CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000638860796 451713870 /nfs/dbraw/zinc/71/38/70/451713870.db2.gz GLQSLVLFRBYRPT-CQSZACIVSA-N 2 1 331.464 1.577 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638874509 451715956 /nfs/dbraw/zinc/71/59/56/451715956.db2.gz UMIOGPUMICFZLL-YJBOKZPZSA-N 2 1 327.428 1.771 20 0 EDADMP COC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC[NH2+]CC1 ZINC000639004367 451751161 /nfs/dbraw/zinc/75/11/61/451751161.db2.gz HDBRKZKGDFIZCQ-KRWDZBQOSA-N 2 1 331.460 1.454 20 0 EDADMP COc1cc(Cl)ccc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641128256 451757032 /nfs/dbraw/zinc/75/70/32/451757032.db2.gz TUAUCWFBHWEWFW-UHFFFAOYSA-N 2 1 349.866 1.954 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H]3CCC4(CCCC4)O3)nn2)CC1 ZINC000641151761 451763025 /nfs/dbraw/zinc/76/30/25/451763025.db2.gz PPDQLNMTFJXEHD-QGZVFWFLSA-N 2 1 333.480 1.736 20 0 EDADMP COc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1Cn1cccn1 ZINC000639113613 451770039 /nfs/dbraw/zinc/77/00/39/451770039.db2.gz PCDSKTBFZUQYAM-HDICACEKSA-N 2 1 326.444 1.933 20 0 EDADMP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1Cn1cccn1 ZINC000639113613 451770040 /nfs/dbraw/zinc/77/00/40/451770040.db2.gz PCDSKTBFZUQYAM-HDICACEKSA-N 2 1 326.444 1.933 20 0 EDADMP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1Cn1cccn1 ZINC000639113613 451770042 /nfs/dbraw/zinc/77/00/42/451770042.db2.gz PCDSKTBFZUQYAM-HDICACEKSA-N 2 1 326.444 1.933 20 0 EDADMP COc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1Cn1cccn1 ZINC000639113613 451770043 /nfs/dbraw/zinc/77/00/43/451770043.db2.gz PCDSKTBFZUQYAM-HDICACEKSA-N 2 1 326.444 1.933 20 0 EDADMP C[NH2+]C(C)(C)c1cn(Cc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000641181398 451771695 /nfs/dbraw/zinc/77/16/95/451771695.db2.gz YKULIZUWGLZYJY-UHFFFAOYSA-N 2 1 329.448 1.613 20 0 EDADMP CC(C)[C@@H]([NH3+])c1cn(Cc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000641181450 451772013 /nfs/dbraw/zinc/77/20/13/451772013.db2.gz ZROLRPRTCARLTR-GOSISDBHSA-N 2 1 329.448 1.814 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000637283423 451779926 /nfs/dbraw/zinc/77/99/26/451779926.db2.gz QUXAAYTUIXICGP-AWEZNQCLSA-N 2 1 334.468 1.756 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641220725 451786983 /nfs/dbraw/zinc/78/69/83/451786983.db2.gz DXFLDXIPXOYMLC-HOCLYGCPSA-N 2 1 337.855 1.681 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)Cn1cc(COc2ccc(C[NH3+])cc2)nn1 ZINC000641220993 451787052 /nfs/dbraw/zinc/78/70/52/451787052.db2.gz IHJSDMHWYSANEU-INIZCTEOSA-N 2 1 333.436 1.017 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)N(C)CC[NH+](C)C)cc1 ZINC000637384678 451815057 /nfs/dbraw/zinc/81/50/57/451815057.db2.gz ALDSIQBASASAMO-MRXNPFEDSA-N 2 1 334.464 1.473 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N(C)CC[NH+](C)C)cc1 ZINC000637384678 451815062 /nfs/dbraw/zinc/81/50/62/451815062.db2.gz ALDSIQBASASAMO-MRXNPFEDSA-N 2 1 334.464 1.473 20 0 EDADMP CC[N@H+](C)[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1ccccc1 ZINC000649075981 451816448 /nfs/dbraw/zinc/81/64/48/451816448.db2.gz NQEUKWRUHHIUHF-DOTOQJQBSA-N 2 1 346.475 1.258 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1ccccc1 ZINC000649075981 451816454 /nfs/dbraw/zinc/81/64/54/451816454.db2.gz NQEUKWRUHHIUHF-DOTOQJQBSA-N 2 1 346.475 1.258 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H](OCC[NH+]3CCCC3)C1)CC2 ZINC000651516195 451881870 /nfs/dbraw/zinc/88/18/70/451881870.db2.gz DWPAZQFJJMFFDB-WMZOPIPTSA-N 2 1 346.475 1.467 20 0 EDADMP CCNC(=O)C1(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CCC1 ZINC000644632133 451907363 /nfs/dbraw/zinc/90/73/63/451907363.db2.gz VXRVIRYMNYLPGR-QGZVFWFLSA-N 2 1 333.476 1.375 20 0 EDADMP CCNC(=O)C1(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CCC1 ZINC000644632133 451907370 /nfs/dbraw/zinc/90/73/70/451907370.db2.gz VXRVIRYMNYLPGR-QGZVFWFLSA-N 2 1 333.476 1.375 20 0 EDADMP COCCOC[C@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639506713 451912345 /nfs/dbraw/zinc/91/23/45/451912345.db2.gz REVAHMDIZDFLMA-PMACEKPBSA-N 2 1 348.487 1.608 20 0 EDADMP COCCOC[C@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639506713 451912352 /nfs/dbraw/zinc/91/23/52/451912352.db2.gz REVAHMDIZDFLMA-PMACEKPBSA-N 2 1 348.487 1.608 20 0 EDADMP COCCOC[C@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639506713 451912357 /nfs/dbraw/zinc/91/23/57/451912357.db2.gz REVAHMDIZDFLMA-PMACEKPBSA-N 2 1 348.487 1.608 20 0 EDADMP COCCOC[C@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639506713 451912363 /nfs/dbraw/zinc/91/23/63/451912363.db2.gz REVAHMDIZDFLMA-PMACEKPBSA-N 2 1 348.487 1.608 20 0 EDADMP CCCN1C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1=O ZINC000644673483 451932026 /nfs/dbraw/zinc/93/20/26/451932026.db2.gz PDMCUKHIXTXNKE-ROUUACIJSA-N 2 1 333.476 1.327 20 0 EDADMP CCCN1C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1=O ZINC000644673483 451932032 /nfs/dbraw/zinc/93/20/32/451932032.db2.gz PDMCUKHIXTXNKE-ROUUACIJSA-N 2 1 333.476 1.327 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCN3CCc4ccccc43)CC2)C1 ZINC000644675996 451932982 /nfs/dbraw/zinc/93/29/82/451932982.db2.gz KJTKGKULYCRJRK-LJQANCHMSA-N 2 1 328.504 1.761 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000646916772 451934137 /nfs/dbraw/zinc/93/41/37/451934137.db2.gz QGBIVKCCYYYPEC-PKOBYXMFSA-N 2 1 342.487 1.361 20 0 EDADMP C[N@H+]1CC[C@H](NS(=O)(=O)CCn2ccnc2)[C@H]1c1ccccc1 ZINC000641398752 451937193 /nfs/dbraw/zinc/93/71/93/451937193.db2.gz KFEBWDSUKITIAH-JKSUJKDBSA-N 2 1 334.445 1.248 20 0 EDADMP CN1CC[C@H](NS(=O)(=O)CCn2ccnc2)[C@H]1c1ccccc1 ZINC000641398752 451937198 /nfs/dbraw/zinc/93/71/98/451937198.db2.gz KFEBWDSUKITIAH-JKSUJKDBSA-N 2 1 334.445 1.248 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@]2(N)CC[N@H+](C)C2)CC1 ZINC000649287837 451960763 /nfs/dbraw/zinc/96/07/63/451960763.db2.gz BUVACLPDYNDUDU-IBGZPJMESA-N 2 1 330.476 1.109 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@]2([NH3+])CCN(C)C2)CC1 ZINC000649287837 451960770 /nfs/dbraw/zinc/96/07/70/451960770.db2.gz BUVACLPDYNDUDU-IBGZPJMESA-N 2 1 330.476 1.109 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000644734462 451961695 /nfs/dbraw/zinc/96/16/95/451961695.db2.gz PYVYYJIFONXPAH-OKZBNKHCSA-N 2 1 330.476 1.041 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000637608616 451971139 /nfs/dbraw/zinc/97/11/39/451971139.db2.gz WVUCPEPTGUEHKF-FUHWJXTLSA-N 2 1 330.476 1.712 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000637608616 451971142 /nfs/dbraw/zinc/97/11/42/451971142.db2.gz WVUCPEPTGUEHKF-FUHWJXTLSA-N 2 1 330.476 1.712 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000649294223 451971330 /nfs/dbraw/zinc/97/13/30/451971330.db2.gz FJBGSTBZJBEHSL-INIZCTEOSA-N 2 1 348.495 1.397 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1C[NH2+]CCC1(F)F ZINC000649305963 451982802 /nfs/dbraw/zinc/98/28/02/451982802.db2.gz OYMBTXQJOSUPTA-GFCCVEGCSA-N 2 1 329.416 1.467 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1C[NH2+]CCC1(F)F ZINC000649305963 451982807 /nfs/dbraw/zinc/98/28/07/451982807.db2.gz OYMBTXQJOSUPTA-GFCCVEGCSA-N 2 1 329.416 1.467 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000647009793 452003208 /nfs/dbraw/zinc/00/32/08/452003208.db2.gz IYZIBYWBEAFIKJ-NEWSRXKRSA-N 2 1 344.503 1.561 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[C@@H]1[NH3+] ZINC000647009927 452003263 /nfs/dbraw/zinc/00/32/63/452003263.db2.gz KUIBGPLGDCELAH-SQNIBIBYSA-N 2 1 330.476 1.879 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)COC2(C)C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000649330076 452011757 /nfs/dbraw/zinc/01/17/57/452011757.db2.gz UXWGQPLXQAMQMG-WMZOPIPTSA-N 2 1 345.487 1.876 20 0 EDADMP COC[C@@]1(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000649344889 452026734 /nfs/dbraw/zinc/02/67/34/452026734.db2.gz WKMRVSMCGAVTPL-YLJYHZDGSA-N 2 1 345.487 1.878 20 0 EDADMP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000651710642 452027856 /nfs/dbraw/zinc/02/78/56/452027856.db2.gz IYAUXBNBIOTRSP-SJORKVTESA-N 2 1 327.513 1.434 20 0 EDADMP Cc1ccc([C@H]([NH3+])C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000649352821 452037016 /nfs/dbraw/zinc/03/70/16/452037016.db2.gz OJYDPPFAMWMFPP-MSOLQXFVSA-N 2 1 330.476 1.233 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@](C)([NH3+])c3ccccc3)CC2)C1 ZINC000649352628 452037835 /nfs/dbraw/zinc/03/78/35/452037835.db2.gz AXFOJUBHPBDJIN-IEBWSBKVSA-N 2 1 330.476 1.099 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C(F)(F)F ZINC000647083856 452050925 /nfs/dbraw/zinc/05/09/25/452050925.db2.gz YYBPBJJKTCXAEW-UONOGXRCSA-N 2 1 344.381 1.690 20 0 EDADMP Cn1cc(N2CC[C@H]([N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649417944 452079408 /nfs/dbraw/zinc/07/94/08/452079408.db2.gz PUHOCXZZQPJQMD-INMHGKMJSA-N 2 1 331.464 1.237 20 0 EDADMP [NH3+]C[C@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000637854061 452116592 /nfs/dbraw/zinc/11/65/92/452116592.db2.gz CSGCPYCRPJNESG-KRWDZBQOSA-N 3 1 330.476 1.224 20 0 EDADMP CC(C)([NH3+])CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637858071 452117795 /nfs/dbraw/zinc/11/77/95/452117795.db2.gz UXGQGIAUONPSCN-QFBILLFUSA-N 2 1 331.460 1.379 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000637861033 452119545 /nfs/dbraw/zinc/11/95/45/452119545.db2.gz QXQVTQCAUPTJFP-DNVCBOLYSA-N 2 1 340.471 1.782 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)cc1 ZINC000637861033 452119546 /nfs/dbraw/zinc/11/95/46/452119546.db2.gz QXQVTQCAUPTJFP-DNVCBOLYSA-N 2 1 340.471 1.782 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000643294141 452120678 /nfs/dbraw/zinc/12/06/78/452120678.db2.gz GPMMSJDWWLJXMN-IKGGRYGDSA-N 2 1 340.512 1.347 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)C1 ZINC000645095062 452148347 /nfs/dbraw/zinc/14/83/47/452148347.db2.gz VDZAHKRYCRTDCU-RBUKOAKNSA-N 2 1 335.467 1.441 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)C1 ZINC000645095062 452148353 /nfs/dbraw/zinc/14/83/53/452148353.db2.gz VDZAHKRYCRTDCU-RBUKOAKNSA-N 2 1 335.467 1.441 20 0 EDADMP O=C(C[N@H+]1CCC[C@H](n2ccnn2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000639818008 452150050 /nfs/dbraw/zinc/15/00/50/452150050.db2.gz YEBOGGHXLWJTQT-KRWDZBQOSA-N 2 1 346.479 1.048 20 0 EDADMP CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000651903221 452156121 /nfs/dbraw/zinc/15/61/21/452156121.db2.gz KQTOARMBVRDTTL-UHFFFAOYSA-N 2 1 346.475 1.665 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000651903221 452156127 /nfs/dbraw/zinc/15/61/27/452156127.db2.gz KQTOARMBVRDTTL-UHFFFAOYSA-N 2 1 346.475 1.665 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000651903221 452156133 /nfs/dbraw/zinc/15/61/33/452156133.db2.gz KQTOARMBVRDTTL-UHFFFAOYSA-N 2 1 346.475 1.665 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000651903221 452156138 /nfs/dbraw/zinc/15/61/38/452156138.db2.gz KQTOARMBVRDTTL-UHFFFAOYSA-N 2 1 346.475 1.665 20 0 EDADMP CC[N@H+](CCC[NH2+]Cc1cn(C)c(=O)n(C)c1=O)C1CCCCC1 ZINC000651909225 452161079 /nfs/dbraw/zinc/16/10/79/452161079.db2.gz ATAMFDBLLDENDB-UHFFFAOYSA-N 2 1 336.480 1.218 20 0 EDADMP CC[N@@H+](CCC[NH2+]Cc1cn(C)c(=O)n(C)c1=O)C1CCCCC1 ZINC000651909225 452161085 /nfs/dbraw/zinc/16/10/85/452161085.db2.gz ATAMFDBLLDENDB-UHFFFAOYSA-N 2 1 336.480 1.218 20 0 EDADMP Nc1nc(NCC[N@H+]2CCc3sccc3C2)c2c([nH+]1)CCCC2 ZINC000645134309 452169480 /nfs/dbraw/zinc/16/94/80/452169480.db2.gz BTKLPDIODSKGOS-UHFFFAOYSA-N 2 1 329.473 1.891 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC000645142913 452174520 /nfs/dbraw/zinc/17/45/20/452174520.db2.gz PCUZLLAWXXHWHD-INIZCTEOSA-N 2 1 331.460 1.985 20 0 EDADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)o1 ZINC000647488940 452233087 /nfs/dbraw/zinc/23/30/87/452233087.db2.gz CGDAFYBEKNQZLV-CQSZACIVSA-N 2 1 345.447 1.275 20 0 EDADMP CCN(C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000663554165 452262588 /nfs/dbraw/zinc/26/25/88/452262588.db2.gz QZPAZVJJZBFLCI-ZACQAIPSSA-N 2 1 340.512 1.611 20 0 EDADMP O=C(CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CC[NH2+]CC1 ZINC000643500402 452270556 /nfs/dbraw/zinc/27/05/56/452270556.db2.gz CALKDNUACQXFEH-LDLYASANSA-N 2 1 342.487 1.203 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000641802106 452276716 /nfs/dbraw/zinc/27/67/16/452276716.db2.gz IAOBOULTLYKJJZ-OLZOCXBDSA-N 2 1 333.461 1.647 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)NCCc2nc3ccccc3s2)C[C@@H]1[NH3+] ZINC000641802526 452276929 /nfs/dbraw/zinc/27/69/29/452276929.db2.gz MHHPFXBEPNNIMU-UONOGXRCSA-N 2 1 332.473 1.670 20 0 EDADMP C[N@H+](Cc1ccc(S(N)(=O)=O)cc1F)CC1CC[NH+](C)CC1 ZINC000638029888 452278574 /nfs/dbraw/zinc/27/85/74/452278574.db2.gz XDVCYMBDFNWERX-UHFFFAOYSA-N 2 1 329.441 1.247 20 0 EDADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000641805341 452282983 /nfs/dbraw/zinc/28/29/83/452282983.db2.gz NBMUYRGODUWIEQ-UWWPHRKUSA-N 2 1 347.459 1.389 20 0 EDADMP CC(C)(CNC(=O)N1CC2CC1(C[NH3+])C2)[N@H+]1CCc2ccccc2C1 ZINC000659437602 452283765 /nfs/dbraw/zinc/28/37/65/452283765.db2.gz DZBRAIWIKMXEDE-UHFFFAOYSA-N 2 1 342.487 1.956 20 0 EDADMP C[C@H](CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000655488399 452284815 /nfs/dbraw/zinc/28/48/15/452284815.db2.gz YQOAQEXIRNPRSX-OVYGPGRDSA-N 2 1 325.497 1.626 20 0 EDADMP C[C@H](CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000655488399 452284821 /nfs/dbraw/zinc/28/48/21/452284821.db2.gz YQOAQEXIRNPRSX-OVYGPGRDSA-N 2 1 325.497 1.626 20 0 EDADMP COC[C@]1(CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCC[NH2+]1 ZINC000641812422 452292619 /nfs/dbraw/zinc/29/26/19/452292619.db2.gz HFBVOHPZMALKCJ-QGZVFWFLSA-N 2 1 326.485 1.271 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000659454693 452306077 /nfs/dbraw/zinc/30/60/77/452306077.db2.gz MRVLZRYNDWYQCJ-IAGOWNOFSA-N 2 1 334.439 1.665 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652145035 452337942 /nfs/dbraw/zinc/33/79/42/452337942.db2.gz ASEPSXTUAFBVLB-NXOAAHMSSA-N 2 1 340.512 1.645 20 0 EDADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc4n(n3)CCC4)cc2)C1 ZINC000657597594 452366788 /nfs/dbraw/zinc/36/67/88/452366788.db2.gz VGJSCDMBTMBMRI-LJQANCHMSA-N 2 1 326.444 1.686 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc4n(n3)CCC4)cc2)C1 ZINC000657597594 452366797 /nfs/dbraw/zinc/36/67/97/452366797.db2.gz VGJSCDMBTMBMRI-LJQANCHMSA-N 2 1 326.444 1.686 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000663630133 452369851 /nfs/dbraw/zinc/36/98/51/452369851.db2.gz NAMQATVRHZKNOY-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP COC[C@]1(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CCCC[NH2+]1 ZINC000638066199 452370685 /nfs/dbraw/zinc/37/06/85/452370685.db2.gz FOWUONGOZYCMGQ-WMZOPIPTSA-N 2 1 325.497 1.773 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659524550 452388260 /nfs/dbraw/zinc/38/82/60/452388260.db2.gz UCWKAVNKHPZOQH-BZUAXINKSA-N 2 1 338.496 1.447 20 0 EDADMP [NH3+]Cc1nc(COc2ccc(OCC[NH+]3CCCCC3)cc2)no1 ZINC000647689346 452420028 /nfs/dbraw/zinc/42/00/28/452420028.db2.gz ZHMBLYGFNOIWBH-UHFFFAOYSA-N 2 1 332.404 1.972 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659610944 452467919 /nfs/dbraw/zinc/46/79/19/452467919.db2.gz LXNHZHGNWSHPPG-FDYSRKEFSA-N 2 1 342.487 1.697 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659618061 452475127 /nfs/dbraw/zinc/47/51/27/452475127.db2.gz ZBWZBIBSPIBOGT-HFCFLWKCSA-N 2 1 328.460 1.654 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654437015 452495498 /nfs/dbraw/zinc/49/54/98/452495498.db2.gz AXCUVIYOCSEFOC-ZACQAIPSSA-N 2 1 338.496 1.413 20 0 EDADMP Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347110 452522434 /nfs/dbraw/zinc/52/24/34/452522434.db2.gz RUDGFSBRJVALCC-GBESFXJTSA-N 2 1 345.487 1.830 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347331 452522998 /nfs/dbraw/zinc/52/29/98/452522998.db2.gz YWNMAXJFOBYNOO-QUSNUVHPSA-N 2 1 325.497 1.898 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3nnnn3-c3ccccc3)C2)C1 ZINC000652346950 452523347 /nfs/dbraw/zinc/52/33/47/452523347.db2.gz MDADKXIMTHREGP-INMHGKMJSA-N 2 1 342.447 1.381 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3nnnn3-c3ccccc3)C2)C1 ZINC000652346950 452523355 /nfs/dbraw/zinc/52/33/55/452523355.db2.gz MDADKXIMTHREGP-INMHGKMJSA-N 2 1 342.447 1.381 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)C2)C1 ZINC000652348814 452525158 /nfs/dbraw/zinc/52/51/58/452525158.db2.gz SDAHXXYQXNNTFG-DGAVXFQQSA-N 2 1 349.397 1.368 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647794195 452526502 /nfs/dbraw/zinc/52/65/02/452526502.db2.gz UCLPZWRRRZIRGE-IJXRJRJASA-N 3 1 329.488 1.731 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NC1C3CC4CC(C3)CC1C4)C2 ZINC000652350871 452527070 /nfs/dbraw/zinc/52/70/70/452527070.db2.gz PZAMYIKFXPRURR-NICINKIESA-N 2 1 331.504 1.988 20 0 EDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1C3CC4CC(C3)CC1C4)C2 ZINC000652350871 452527082 /nfs/dbraw/zinc/52/70/82/452527082.db2.gz PZAMYIKFXPRURR-NICINKIESA-N 2 1 331.504 1.988 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652354614 452531967 /nfs/dbraw/zinc/53/19/67/452531967.db2.gz CSWSSLKWYQUTHI-YJBOKZPZSA-N 2 1 333.476 1.899 20 0 EDADMP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652354614 452531974 /nfs/dbraw/zinc/53/19/74/452531974.db2.gz CSWSSLKWYQUTHI-YJBOKZPZSA-N 2 1 333.476 1.899 20 0 EDADMP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000652354728 452532110 /nfs/dbraw/zinc/53/21/10/452532110.db2.gz GJFDIGPGFFNZOY-YJBOKZPZSA-N 2 1 333.476 1.899 20 0 EDADMP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000652354728 452532120 /nfs/dbraw/zinc/53/21/20/452532120.db2.gz GJFDIGPGFFNZOY-YJBOKZPZSA-N 2 1 333.476 1.899 20 0 EDADMP CCO[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000652357554 452538150 /nfs/dbraw/zinc/53/81/50/452538150.db2.gz WUUHWFDFOJTTED-IUODEOHRSA-N 2 1 325.840 1.964 20 0 EDADMP Cc1ccccc1CNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361430 452542666 /nfs/dbraw/zinc/54/26/66/452542666.db2.gz HFYPLULDSKFMOH-GUDVDZBRSA-N 2 1 345.487 1.972 20 0 EDADMP CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655766472 452566538 /nfs/dbraw/zinc/56/65/38/452566538.db2.gz RHYOSNQCNWTKTF-GVDBMIGSSA-N 2 1 328.497 1.377 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000647834090 452567207 /nfs/dbraw/zinc/56/72/07/452567207.db2.gz WZSIIDXCQJKJQY-BHIYHBOVSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000647834090 452567217 /nfs/dbraw/zinc/56/72/17/452567217.db2.gz WZSIIDXCQJKJQY-BHIYHBOVSA-N 2 1 345.487 1.829 20 0 EDADMP C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834820 452568072 /nfs/dbraw/zinc/56/80/72/452568072.db2.gz AJXVURUDILQZSS-HOTGVXAUSA-N 2 1 330.476 1.190 20 0 EDADMP C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834820 452568081 /nfs/dbraw/zinc/56/80/81/452568081.db2.gz AJXVURUDILQZSS-HOTGVXAUSA-N 2 1 330.476 1.190 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000647834267 452568396 /nfs/dbraw/zinc/56/83/96/452568396.db2.gz ZACXXSAEFXTLFO-IEBWSBKVSA-N 2 1 344.503 1.355 20 0 EDADMP CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834942 452571142 /nfs/dbraw/zinc/57/11/42/452571142.db2.gz GJKGCBPGXZNVLI-CQSZACIVSA-N 2 1 336.505 1.573 20 0 EDADMP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834942 452571149 /nfs/dbraw/zinc/57/11/49/452571149.db2.gz GJKGCBPGXZNVLI-CQSZACIVSA-N 2 1 336.505 1.573 20 0 EDADMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647835365 452571491 /nfs/dbraw/zinc/57/14/91/452571491.db2.gz VUHAFSOOSMTMQV-DLBZAZTESA-N 2 1 346.519 1.652 20 0 EDADMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647835365 452571497 /nfs/dbraw/zinc/57/14/97/452571497.db2.gz VUHAFSOOSMTMQV-DLBZAZTESA-N 2 1 346.519 1.652 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654523545 452603254 /nfs/dbraw/zinc/60/32/54/452603254.db2.gz LJVBHBQBPADCJR-JONQDZQNSA-N 2 1 338.496 1.434 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654523545 452603265 /nfs/dbraw/zinc/60/32/65/452603265.db2.gz LJVBHBQBPADCJR-JONQDZQNSA-N 2 1 338.496 1.434 20 0 EDADMP C[C@H](NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000654523545 452603275 /nfs/dbraw/zinc/60/32/75/452603275.db2.gz LJVBHBQBPADCJR-JONQDZQNSA-N 2 1 338.496 1.434 20 0 EDADMP C[C@H](NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000654523545 452603282 /nfs/dbraw/zinc/60/32/82/452603282.db2.gz LJVBHBQBPADCJR-JONQDZQNSA-N 2 1 338.496 1.434 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](CCO)CCc1ccccc1 ZINC000647885832 452625578 /nfs/dbraw/zinc/62/55/78/452625578.db2.gz VQCPLGGUKIQBMB-PMACEKPBSA-N 2 1 328.456 1.454 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccnc2N2CCOCC2)CC1 ZINC000647908844 452649315 /nfs/dbraw/zinc/64/93/15/452649315.db2.gz SUZOJJLVIZCDRW-UHFFFAOYSA-N 2 1 348.491 1.243 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000652464021 452658451 /nfs/dbraw/zinc/65/84/51/452658451.db2.gz GTTQXEVTIJTQMN-YESZJQIVSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000652464021 452658459 /nfs/dbraw/zinc/65/84/59/452658459.db2.gz GTTQXEVTIJTQMN-YESZJQIVSA-N 2 1 340.512 1.515 20 0 EDADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CCN(C4CC4)CC3)cc2)C1 ZINC000658137372 452745423 /nfs/dbraw/zinc/74/54/23/452745423.db2.gz KOMKSMOHLDKLHE-FQEVSTJZSA-N 2 1 329.488 1.970 20 0 EDADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000658137372 452745432 /nfs/dbraw/zinc/74/54/32/452745432.db2.gz KOMKSMOHLDKLHE-FQEVSTJZSA-N 3 1 329.488 1.970 20 0 EDADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000658137372 452745441 /nfs/dbraw/zinc/74/54/41/452745441.db2.gz KOMKSMOHLDKLHE-FQEVSTJZSA-N 3 1 329.488 1.970 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655963354 452746129 /nfs/dbraw/zinc/74/61/29/452746129.db2.gz YKDYRBXAUYAKCM-ARKGTOAJSA-N 2 1 326.485 1.171 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655963354 452746137 /nfs/dbraw/zinc/74/61/37/452746137.db2.gz YKDYRBXAUYAKCM-ARKGTOAJSA-N 2 1 326.485 1.171 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971158 452752638 /nfs/dbraw/zinc/75/26/38/452752638.db2.gz UPGFMZVXMSKZOB-OWYFMNJBSA-N 2 1 326.485 1.253 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971158 452752647 /nfs/dbraw/zinc/75/26/47/452752647.db2.gz UPGFMZVXMSKZOB-OWYFMNJBSA-N 2 1 326.485 1.253 20 0 EDADMP CO[C@H](C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000659877666 452755135 /nfs/dbraw/zinc/75/51/35/452755135.db2.gz JQQSOFVFKKJCKV-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654326 452762057 /nfs/dbraw/zinc/76/20/57/452762057.db2.gz XJJAGOONIJCPKB-HRCADAONSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654326 452762065 /nfs/dbraw/zinc/76/20/65/452762065.db2.gz XJJAGOONIJCPKB-HRCADAONSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CC[N@H+]1C ZINC000648118670 452835372 /nfs/dbraw/zinc/83/53/72/452835372.db2.gz LMCVGYUIFSVRGP-OAGGEKHMSA-N 2 1 345.491 1.231 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654727632 452842919 /nfs/dbraw/zinc/84/29/19/452842919.db2.gz QXLOAQSRLOBEGB-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664183602 452853879 /nfs/dbraw/zinc/85/38/79/452853879.db2.gz SPWKODQKRNKBEM-UONOGXRCSA-N 2 1 338.500 1.361 20 0 EDADMP Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664183602 452853892 /nfs/dbraw/zinc/85/38/92/452853892.db2.gz SPWKODQKRNKBEM-UONOGXRCSA-N 2 1 338.500 1.361 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H]3OCc4ccccc43)C2)CC1 ZINC000654775745 452908484 /nfs/dbraw/zinc/90/84/84/452908484.db2.gz SJCMQTXQPXHSGR-VQIMIIECSA-N 2 1 343.471 1.933 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C[C@H]3OCc4ccccc43)C2)CC1 ZINC000654775745 452908491 /nfs/dbraw/zinc/90/84/91/452908491.db2.gz SJCMQTXQPXHSGR-VQIMIIECSA-N 2 1 343.471 1.933 20 0 EDADMP Cn1nnc2cc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)ccc21 ZINC000650705957 452943705 /nfs/dbraw/zinc/94/37/05/452943705.db2.gz BBWZSMYEOKURLQ-HDMKZQKVSA-N 2 1 329.448 1.687 20 0 EDADMP CCO[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000650715208 452947198 /nfs/dbraw/zinc/94/71/98/452947198.db2.gz UQBIBWFJIFCZPQ-CXAGYDPISA-N 2 1 344.415 1.601 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000650715208 452947204 /nfs/dbraw/zinc/94/72/04/452947204.db2.gz UQBIBWFJIFCZPQ-CXAGYDPISA-N 2 1 344.415 1.601 20 0 EDADMP CCN(CC)C(=O)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662250988 452975900 /nfs/dbraw/zinc/97/59/00/452975900.db2.gz UXPBLFGPIUWOOH-UHFFFAOYSA-N 2 1 330.476 1.912 20 0 EDADMP O=C(c1ccsc1)N1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662252393 452978911 /nfs/dbraw/zinc/97/89/11/452978911.db2.gz KWTSCGOPAVQOGW-HNNXBMFYSA-N 2 1 335.473 1.417 20 0 EDADMP COCC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254534 452983023 /nfs/dbraw/zinc/98/30/23/452983023.db2.gz JFYGEWRSEDPOIK-HNNXBMFYSA-N 2 1 334.416 1.385 20 0 EDADMP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCN(c2ccccc2)C1=O ZINC000662254060 452983601 /nfs/dbraw/zinc/98/36/01/452983601.db2.gz DQVPKFOTZORJJV-SJORKVTESA-N 2 1 329.444 1.635 20 0 EDADMP C[C@H](CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000646003204 452998919 /nfs/dbraw/zinc/99/89/19/452998919.db2.gz WJSGUVJUOSJLQW-SQNIBIBYSA-N 2 1 336.524 1.251 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3C[NH2+]Cc4ccccc43)CC2)C1 ZINC000646003207 452999052 /nfs/dbraw/zinc/99/90/52/452999052.db2.gz WKGZBEHFARKPDT-MJGOQNOKSA-N 2 1 342.487 1.112 20 0 EDADMP O=c1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc2sccn21 ZINC000662294271 453015765 /nfs/dbraw/zinc/01/57/65/453015765.db2.gz JZGISBRKYCUYLO-CQSZACIVSA-N 2 1 332.473 1.968 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292624 453016380 /nfs/dbraw/zinc/01/63/80/453016380.db2.gz GFVDFNHJBRZUGK-INIZCTEOSA-N 2 1 333.480 1.687 20 0 EDADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666650270 453037725 /nfs/dbraw/zinc/03/77/25/453037725.db2.gz BMKXMHOTFLPVEP-FUHWJXTLSA-N 2 1 344.503 1.914 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CN(c3ccccc3)CCO2)CCO1 ZINC000662326573 453043296 /nfs/dbraw/zinc/04/32/96/453043296.db2.gz WEDNZFXDOHEESG-PMACEKPBSA-N 2 1 347.503 1.934 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H]2CN(c3ccccc3)CCO2)CCO1 ZINC000662326573 453043305 /nfs/dbraw/zinc/04/33/05/453043305.db2.gz WEDNZFXDOHEESG-PMACEKPBSA-N 2 1 347.503 1.934 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000666667461 453053938 /nfs/dbraw/zinc/05/39/38/453053938.db2.gz HPNCOVKXCHZQMS-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666667461 453053948 /nfs/dbraw/zinc/05/39/48/453053948.db2.gz HPNCOVKXCHZQMS-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337639 453055036 /nfs/dbraw/zinc/05/50/36/453055036.db2.gz MLEFWBXQEFKQCX-HUUCEWRRSA-N 2 1 341.463 1.550 20 0 EDADMP C[C@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065482 453076357 /nfs/dbraw/zinc/07/63/57/453076357.db2.gz LASQVQLKWRLBTQ-RDJZCZTQSA-N 2 1 331.460 1.521 20 0 EDADMP C[C@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065482 453076366 /nfs/dbraw/zinc/07/63/66/453076366.db2.gz LASQVQLKWRLBTQ-RDJZCZTQSA-N 2 1 331.460 1.521 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662385809 453095241 /nfs/dbraw/zinc/09/52/41/453095241.db2.gz GUYYUEIYYWBUQU-UHFFFAOYSA-N 2 1 330.436 1.007 20 0 EDADMP C[C@H](CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)[NH+](C)C ZINC000664448855 453105340 /nfs/dbraw/zinc/10/53/40/453105340.db2.gz UIVJNQKAXNVQCA-OWCLPIDISA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000664478127 453128617 /nfs/dbraw/zinc/12/86/17/453128617.db2.gz ILRHFJGHIUPNCY-HOTGVXAUSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000664478127 453128622 /nfs/dbraw/zinc/12/86/22/453128622.db2.gz ILRHFJGHIUPNCY-HOTGVXAUSA-N 2 1 340.512 1.659 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000662460099 453169234 /nfs/dbraw/zinc/16/92/34/453169234.db2.gz PYTPEWITJUZBKG-IKGGRYGDSA-N 2 1 325.497 1.852 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@H]1CCCO1 ZINC000664532013 453169592 /nfs/dbraw/zinc/16/95/92/453169592.db2.gz NKPYSWVOOPAQRL-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@H]1CCCO1 ZINC000664532013 453169598 /nfs/dbraw/zinc/16/95/98/453169598.db2.gz NKPYSWVOOPAQRL-HRCADAONSA-N 2 1 328.501 1.515 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)N1CCOCC1 ZINC000660297715 453186563 /nfs/dbraw/zinc/18/65/63/453186563.db2.gz OPUMUVUIXLHKHN-CVEARBPZSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000660297715 453186573 /nfs/dbraw/zinc/18/65/73/453186573.db2.gz OPUMUVUIXLHKHN-CVEARBPZSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)CC[N@@H+]1C ZINC000648746263 453229735 /nfs/dbraw/zinc/22/97/35/453229735.db2.gz RFRKKQYWMDOAOP-KBRIMQKVSA-N 2 1 344.459 1.415 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)CC[N@H+]1C ZINC000648746263 453229741 /nfs/dbraw/zinc/22/97/41/453229741.db2.gz RFRKKQYWMDOAOP-KBRIMQKVSA-N 2 1 344.459 1.415 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC[NH+]1C ZINC000648746263 453229745 /nfs/dbraw/zinc/22/97/45/453229745.db2.gz RFRKKQYWMDOAOP-KBRIMQKVSA-N 2 1 344.459 1.415 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC[NH+]1C ZINC000648746263 453229753 /nfs/dbraw/zinc/22/97/53/453229753.db2.gz RFRKKQYWMDOAOP-KBRIMQKVSA-N 2 1 344.459 1.415 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH2+]1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000666906546 453230210 /nfs/dbraw/zinc/23/02/10/453230210.db2.gz UPCOYMKWWJQVAV-SFHVURJKSA-N 2 1 346.475 1.825 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)CC[N@H+]1C ZINC000648758426 453239506 /nfs/dbraw/zinc/23/95/06/453239506.db2.gz UIBUVIGECGXNPC-VQIMIIECSA-N 2 1 344.503 1.887 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662526672 453247062 /nfs/dbraw/zinc/24/70/62/453247062.db2.gz HYRSRGBXEULDOD-XUWVNRHRSA-N 2 1 345.491 1.964 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000666924583 453251569 /nfs/dbraw/zinc/25/15/69/453251569.db2.gz IKIDYVVJDSLLDO-OAHLLOKOSA-N 2 1 326.485 1.005 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC000648786460 453270348 /nfs/dbraw/zinc/27/03/48/453270348.db2.gz CASLUSPGGVWEGO-VQHPVUNQSA-N 2 1 325.497 1.580 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC000648786460 453270356 /nfs/dbraw/zinc/27/03/56/453270356.db2.gz CASLUSPGGVWEGO-VQHPVUNQSA-N 2 1 325.497 1.580 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC000648786460 453270361 /nfs/dbraw/zinc/27/03/61/453270361.db2.gz CASLUSPGGVWEGO-VQHPVUNQSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)CC[N@H+]1C ZINC000648813057 453295244 /nfs/dbraw/zinc/29/52/44/453295244.db2.gz OQSUMLLYSWYTTH-RDTXWAMCSA-N 2 1 331.460 1.922 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]2CCC[NH2+]CC2)c1 ZINC000653111560 453297239 /nfs/dbraw/zinc/29/72/39/453297239.db2.gz SDXDWFOCKKXDTA-RDJZCZTQSA-N 2 1 344.459 1.465 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]2CCC[NH2+]CC2)c1 ZINC000653111560 453297257 /nfs/dbraw/zinc/29/72/57/453297257.db2.gz SDXDWFOCKKXDTA-RDJZCZTQSA-N 2 1 344.459 1.465 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000651196509 453352639 /nfs/dbraw/zinc/35/26/39/453352639.db2.gz DMKIXIDHLWYEPS-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@H+]1C ZINC000648880167 453355584 /nfs/dbraw/zinc/35/55/84/453355584.db2.gz YHIJZKZMFYCNNP-BHIYHBOVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH+]1C ZINC000648880167 453355593 /nfs/dbraw/zinc/35/55/93/453355593.db2.gz YHIJZKZMFYCNNP-BHIYHBOVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH+]1C ZINC000648880167 453355603 /nfs/dbraw/zinc/35/56/03/453355603.db2.gz YHIJZKZMFYCNNP-BHIYHBOVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653169041 453359921 /nfs/dbraw/zinc/35/99/21/453359921.db2.gz ZYWNHXOFDQWIEJ-SJLPKXTDSA-N 2 1 338.540 1.769 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000662658403 453370571 /nfs/dbraw/zinc/37/05/71/453370571.db2.gz FEHMEAJXMCMBHJ-HBFSDRIKSA-N 2 1 327.472 1.761 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000662658215 453371289 /nfs/dbraw/zinc/37/12/89/453371289.db2.gz CFSIYYHNHXKZJY-ROUUACIJSA-N 2 1 331.460 1.140 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662667960 453382747 /nfs/dbraw/zinc/38/27/47/453382747.db2.gz FEJJDWLNLAUZNI-UONOGXRCSA-N 2 1 331.464 1.623 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662675936 453394328 /nfs/dbraw/zinc/39/43/28/453394328.db2.gz QYTKRASMUCJPBU-MNEFBYGVSA-N 2 1 345.487 1.899 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662691778 453412209 /nfs/dbraw/zinc/41/22/09/453412209.db2.gz ITJDADOCLGSGBG-GJZGRUSLSA-N 2 1 334.468 1.053 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662711391 453436226 /nfs/dbraw/zinc/43/62/26/453436226.db2.gz AOBZSWSNQMBTOG-RTBURBONSA-N 2 1 345.487 1.721 20 0 EDADMP O=C(NCC12CC(C1)C[NH2+]2)c1sc2c(c1Br)C[NH2+]C2 ZINC000662715626 453440076 /nfs/dbraw/zinc/44/00/76/453440076.db2.gz KYVRWGUOEYRUNG-UHFFFAOYSA-N 2 1 342.262 1.596 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1C[NH2+]CCO1 ZINC000662716837 453441599 /nfs/dbraw/zinc/44/15/99/453441599.db2.gz WYUQHDWPLXHUJY-QZTJIDSGSA-N 2 1 343.471 1.393 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662755815 453491707 /nfs/dbraw/zinc/49/17/07/453491707.db2.gz GDVCHBKOQLAJSF-SFHVURJKSA-N 2 1 344.503 1.655 20 0 EDADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660657893 453492236 /nfs/dbraw/zinc/49/22/36/453492236.db2.gz BUJBXZZXFIVVBF-BEFAXECRSA-N 2 1 348.443 1.573 20 0 EDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660657893 453492241 /nfs/dbraw/zinc/49/22/41/453492241.db2.gz BUJBXZZXFIVVBF-BEFAXECRSA-N 2 1 348.443 1.573 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660657893 453492244 /nfs/dbraw/zinc/49/22/44/453492244.db2.gz BUJBXZZXFIVVBF-BEFAXECRSA-N 2 1 348.443 1.573 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660657893 453492246 /nfs/dbraw/zinc/49/22/46/453492246.db2.gz BUJBXZZXFIVVBF-BEFAXECRSA-N 2 1 348.443 1.573 20 0 EDADMP CCc1nc(C)c(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)o1 ZINC000664951712 453512863 /nfs/dbraw/zinc/51/28/63/453512863.db2.gz CQQZAKOGAOGHJY-ZDUSSCGKSA-N 2 1 339.484 1.617 20 0 EDADMP CCc1nc(C)c(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)o1 ZINC000664951712 453512865 /nfs/dbraw/zinc/51/28/65/453512865.db2.gz CQQZAKOGAOGHJY-ZDUSSCGKSA-N 2 1 339.484 1.617 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC12CCOCC2 ZINC000662786679 453520852 /nfs/dbraw/zinc/52/08/52/453520852.db2.gz XZIAZIMJQLSKOW-XHDPSFHLSA-N 2 1 339.386 1.179 20 0 EDADMP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000659034351 453589908 /nfs/dbraw/zinc/58/99/08/453589908.db2.gz LYAWKQCTTGGVJH-QZTJIDSGSA-N 2 1 344.459 1.953 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900994 453596125 /nfs/dbraw/zinc/59/61/25/453596125.db2.gz RAMIRQCNHGRDNM-WMZOPIPTSA-N 2 1 338.540 1.624 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900994 453596128 /nfs/dbraw/zinc/59/61/28/453596128.db2.gz RAMIRQCNHGRDNM-WMZOPIPTSA-N 2 1 338.540 1.624 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660841633 453600630 /nfs/dbraw/zinc/60/06/30/453600630.db2.gz QSHZABIJLZKMAJ-NVXWUHKLSA-N 2 1 338.496 1.271 20 0 EDADMP COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000665232436 453617748 /nfs/dbraw/zinc/61/77/48/453617748.db2.gz MUMFDHHMTIERMF-HOCLYGCPSA-N 2 1 345.443 1.774 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000659089265 453623826 /nfs/dbraw/zinc/62/38/26/453623826.db2.gz DALIREWRFFGARH-UHFFFAOYSA-N 2 1 340.855 1.536 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000663004078 453644521 /nfs/dbraw/zinc/64/45/21/453644521.db2.gz PBEPIAMRIQRSCD-SJLPKXTDSA-N 2 1 345.491 1.659 20 0 EDADMP COC1CC[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000665364666 453668017 /nfs/dbraw/zinc/66/80/17/453668017.db2.gz VDAQOXBUTWAVRN-CQSZACIVSA-N 2 1 326.485 1.269 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665366165 453669285 /nfs/dbraw/zinc/66/92/85/453669285.db2.gz SJPJKKBTSULTNI-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000665366165 453669289 /nfs/dbraw/zinc/66/92/89/453669289.db2.gz SJPJKKBTSULTNI-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP [NH3+][C@@H](CCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)CC1CCCCC1 ZINC000659359048 453727952 /nfs/dbraw/zinc/72/79/52/453727952.db2.gz VXTWHLANSYWFBU-ZWKOTPCHSA-N 2 1 337.508 1.997 20 0 EDADMP [NH3+][C@H]1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000416882461 486788193 /nfs/dbraw/zinc/78/81/93/486788193.db2.gz MZOVYDSTBIPTGS-ZWKOTPCHSA-N 2 1 346.475 1.588 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000680496449 486790316 /nfs/dbraw/zinc/79/03/16/486790316.db2.gz DXLMTABLKJBXTC-OAHLLOKOSA-N 2 1 332.448 1.131 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000672757479 486792352 /nfs/dbraw/zinc/79/23/52/486792352.db2.gz BGPWAUWXHNDQEO-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672757479 486792356 /nfs/dbraw/zinc/79/23/56/486792356.db2.gz BGPWAUWXHNDQEO-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672757479 486792359 /nfs/dbraw/zinc/79/23/59/486792359.db2.gz BGPWAUWXHNDQEO-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000683895126 486856440 /nfs/dbraw/zinc/85/64/40/486856440.db2.gz FSIRDBMVACUQOY-ZDUSSCGKSA-N 2 1 331.395 1.376 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000417669623 486867861 /nfs/dbraw/zinc/86/78/61/486867861.db2.gz MFFIAROWOGRURW-HZMVEIRTSA-N 2 1 340.512 1.693 20 0 EDADMP CC1(C)CN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@H+]1CCO ZINC000673044730 486893533 /nfs/dbraw/zinc/89/35/33/486893533.db2.gz ZBPOMEWXZANTIY-INIZCTEOSA-N 2 1 338.496 1.101 20 0 EDADMP CC1(C)CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1CCO ZINC000673044730 486893536 /nfs/dbraw/zinc/89/35/36/486893536.db2.gz ZBPOMEWXZANTIY-INIZCTEOSA-N 2 1 338.496 1.101 20 0 EDADMP CC1(C)CN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH+]1CCO ZINC000673044730 486893540 /nfs/dbraw/zinc/89/35/40/486893540.db2.gz ZBPOMEWXZANTIY-INIZCTEOSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](CCO)CC(C)(C)C)c1ccccc1 ZINC000681209635 486974126 /nfs/dbraw/zinc/97/41/26/486974126.db2.gz YDCNSBHBTZPQBS-KRWDZBQOSA-N 2 1 335.492 1.746 20 0 EDADMP CN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681219123 486977402 /nfs/dbraw/zinc/97/74/02/486977402.db2.gz URIKUBWPTCDNBE-QAPCUYQASA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000681219123 486977406 /nfs/dbraw/zinc/97/74/06/486977406.db2.gz URIKUBWPTCDNBE-QAPCUYQASA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000681219123 486977411 /nfs/dbraw/zinc/97/74/11/486977411.db2.gz URIKUBWPTCDNBE-QAPCUYQASA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681219123 486977414 /nfs/dbraw/zinc/97/74/14/486977414.db2.gz URIKUBWPTCDNBE-QAPCUYQASA-N 2 1 349.523 1.033 20 0 EDADMP CN(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681219123 486977418 /nfs/dbraw/zinc/97/74/18/486977418.db2.gz URIKUBWPTCDNBE-QAPCUYQASA-N 2 1 349.523 1.033 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](CC)[C@H](C)C3)cc2)CC1 ZINC000677182818 487000680 /nfs/dbraw/zinc/00/06/80/487000680.db2.gz LQRSTICKSKUZGN-QGZVFWFLSA-N 2 1 344.503 1.995 20 0 EDADMP Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C(F)F)n1 ZINC000677248538 487019977 /nfs/dbraw/zinc/01/99/77/487019977.db2.gz ZEESGYZFICDESC-LLVKDONJSA-N 2 1 341.406 1.256 20 0 EDADMP Cn1cc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C(F)F)n1 ZINC000677248538 487019983 /nfs/dbraw/zinc/01/99/83/487019983.db2.gz ZEESGYZFICDESC-LLVKDONJSA-N 2 1 341.406 1.256 20 0 EDADMP CN(C(=O)c1nc2c(s1)CCC2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000667954400 487031133 /nfs/dbraw/zinc/03/11/33/487031133.db2.gz BJHPEVOGTXYZRK-CQSZACIVSA-N 2 1 348.516 1.872 20 0 EDADMP CN(C(=O)c1nc2c(s1)CCC2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000667954400 487031138 /nfs/dbraw/zinc/03/11/38/487031138.db2.gz BJHPEVOGTXYZRK-CQSZACIVSA-N 2 1 348.516 1.872 20 0 EDADMP CCOc1cnc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1 ZINC000681655701 487122384 /nfs/dbraw/zinc/12/23/84/487122384.db2.gz WUSCFOHSQOOPCV-UHFFFAOYSA-N 2 1 342.403 1.274 20 0 EDADMP CCOc1cnc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cn1 ZINC000681721948 487144752 /nfs/dbraw/zinc/14/47/52/487144752.db2.gz DCTPKEVDJNANRU-HNNXBMFYSA-N 2 1 349.479 1.363 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000681788327 487167484 /nfs/dbraw/zinc/16/74/84/487167484.db2.gz DZDXZAUIRBJVJS-WRQOLXDDSA-N 2 1 325.497 1.719 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCSC1 ZINC000677859915 487184149 /nfs/dbraw/zinc/18/41/49/487184149.db2.gz IXVAWCNQZACVCX-HZPDHXFCSA-N 2 1 341.521 1.137 20 0 EDADMP C[NH+](CC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)[C@@H]1CCSC1 ZINC000677859915 487184154 /nfs/dbraw/zinc/18/41/54/487184154.db2.gz IXVAWCNQZACVCX-HZPDHXFCSA-N 2 1 341.521 1.137 20 0 EDADMP C[NH+](CC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)[C@@H]1CCSC1 ZINC000677859915 487184159 /nfs/dbraw/zinc/18/41/59/487184159.db2.gz IXVAWCNQZACVCX-HZPDHXFCSA-N 2 1 341.521 1.137 20 0 EDADMP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000674062370 487194014 /nfs/dbraw/zinc/19/40/14/487194014.db2.gz ODDHKRFYNDHJRV-PKOBYXMFSA-N 2 1 349.519 1.964 20 0 EDADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000674062370 487194019 /nfs/dbraw/zinc/19/40/19/487194019.db2.gz ODDHKRFYNDHJRV-PKOBYXMFSA-N 2 1 349.519 1.964 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CCC1 ZINC000682168403 487313379 /nfs/dbraw/zinc/31/33/79/487313379.db2.gz HYZBVCRCGWMDMQ-SFHVURJKSA-N 2 1 345.487 1.785 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000682661274 487402617 /nfs/dbraw/zinc/40/26/17/487402617.db2.gz OQVBRBOCHBICBC-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000682661274 487402619 /nfs/dbraw/zinc/40/26/19/487402619.db2.gz OQVBRBOCHBICBC-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([N@@H+](C)CCO)CC2)o1 ZINC000679239671 487405088 /nfs/dbraw/zinc/40/50/88/487405088.db2.gz PALVMZJJVRAXND-UHFFFAOYSA-N 2 1 337.464 1.650 20 0 EDADMP C[C@H](C[C@@H]1CCOC1)NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000675430211 487406842 /nfs/dbraw/zinc/40/68/42/487406842.db2.gz GUJKIPYTCUKXOQ-CVEARBPZSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@H](C[C@@H]1CCOC1)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000675430211 487406845 /nfs/dbraw/zinc/40/68/45/487406845.db2.gz GUJKIPYTCUKXOQ-CVEARBPZSA-N 2 1 340.512 1.469 20 0 EDADMP Cc1ccc(CNC(=O)NC2CC[NH+](C)CC2)c(N2CCCC2)[nH+]1 ZINC000679680741 487457052 /nfs/dbraw/zinc/45/70/52/487457052.db2.gz UPLBNABVBRHLAP-UHFFFAOYSA-N 2 1 331.464 1.884 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000668963052 485499238 /nfs/dbraw/zinc/49/92/38/485499238.db2.gz ZGNCPGZNMMYOPY-KFWWJZLASA-N 2 1 326.485 1.316 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)NCC3C[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000669554122 485552892 /nfs/dbraw/zinc/55/28/92/485552892.db2.gz GBAQZVRGMWPAGH-MSOLQXFVSA-N 2 1 344.459 1.492 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCCO1 ZINC000669570918 485592551 /nfs/dbraw/zinc/59/25/51/485592551.db2.gz OYEKTCVWKOLQKJ-YYIAUSFCSA-N 2 1 338.496 1.256 20 0 EDADMP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000325478145 485718938 /nfs/dbraw/zinc/71/89/38/485718938.db2.gz BDHFRXFSZDNRNL-WMZOPIPTSA-N 2 1 329.444 1.197 20 0 EDADMP COc1cc2cc[nH+]c(NCCC[NH+]3CCOCC3)c2cc1OC ZINC000392369435 485840292 /nfs/dbraw/zinc/84/02/92/485840292.db2.gz BSCGXJPWNXPIIR-UHFFFAOYSA-N 2 1 331.416 1.808 20 0 EDADMP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000668657128 486004073 /nfs/dbraw/zinc/00/40/73/486004073.db2.gz MCKQABJNMRVZTG-IHRRRGAJSA-N 2 1 339.509 1.072 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000669389685 486025374 /nfs/dbraw/zinc/02/53/74/486025374.db2.gz UDQXORGNWBISIE-ZFWWWQNUSA-N 2 1 336.505 1.936 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000669389685 486025380 /nfs/dbraw/zinc/02/53/80/486025380.db2.gz UDQXORGNWBISIE-ZFWWWQNUSA-N 2 1 336.505 1.936 20 0 EDADMP C[C@H]([NH3+])CNC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000669397206 486054549 /nfs/dbraw/zinc/05/45/49/486054549.db2.gz FDPPPRUQUNJITE-KRWDZBQOSA-N 2 1 347.507 1.231 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)C1CCSCC1 ZINC000681738184 486555484 /nfs/dbraw/zinc/55/54/84/486555484.db2.gz HPQIPZPBZRJGMA-NVXWUHKLSA-N 2 1 327.538 1.514 20 0 EDADMP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000134971794 491226283 /nfs/dbraw/zinc/22/62/83/491226283.db2.gz MWFIYDUVNSZTNI-QAPCUYQASA-N 2 1 331.460 1.731 20 0 EDADMP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000134971794 491226285 /nfs/dbraw/zinc/22/62/85/491226285.db2.gz MWFIYDUVNSZTNI-QAPCUYQASA-N 2 1 331.460 1.731 20 0 EDADMP C[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1)[NH+](C)C ZINC000078750128 491002494 /nfs/dbraw/zinc/00/24/94/491002494.db2.gz UVIXSCFXUMFIKB-YOEHRIQHSA-N 2 1 346.475 1.741 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1C1CC1 ZINC000127606714 491016723 /nfs/dbraw/zinc/01/67/23/491016723.db2.gz JBVFJURHNPATQT-CABCVRRESA-N 2 1 329.448 1.538 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[NH+](CC4CCCC4)C3)[C@H]2C1 ZINC000353332694 536461835 /nfs/dbraw/zinc/46/18/35/536461835.db2.gz WVNAIZQDCLAOQU-KURKYZTESA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)[C@H]2C1 ZINC000353332694 536461838 /nfs/dbraw/zinc/46/18/38/536461838.db2.gz WVNAIZQDCLAOQU-KURKYZTESA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)[C@H]2C1 ZINC000353332694 536461840 /nfs/dbraw/zinc/46/18/40/536461840.db2.gz WVNAIZQDCLAOQU-KURKYZTESA-N 2 1 334.508 1.987 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000174795078 527739192 /nfs/dbraw/zinc/73/91/92/527739192.db2.gz WXRRNKKPYYBCGA-KRWDZBQOSA-N 2 1 335.448 1.676 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000174795078 527739197 /nfs/dbraw/zinc/73/91/97/527739197.db2.gz WXRRNKKPYYBCGA-KRWDZBQOSA-N 2 1 335.448 1.676 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000123539825 535136650 /nfs/dbraw/zinc/13/66/50/535136650.db2.gz QYXQIKHIKIVZGK-IAGOWNOFSA-N 2 1 340.512 1.232 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000123539825 535136654 /nfs/dbraw/zinc/13/66/54/535136654.db2.gz QYXQIKHIKIVZGK-IAGOWNOFSA-N 2 1 340.512 1.232 20 0 EDADMP CC1CC[NH+](CCCCNC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000071922541 535277298 /nfs/dbraw/zinc/27/72/98/535277298.db2.gz SEGMLZSRARGCKA-UHFFFAOYSA-N 2 1 340.512 1.520 20 0 EDADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3COCC[NH2+]3)c2)CC1 ZINC000236639162 535281844 /nfs/dbraw/zinc/28/18/44/535281844.db2.gz IVTKHVSWNSENAD-SFHVURJKSA-N 2 1 331.460 1.523 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000339483329 535570674 /nfs/dbraw/zinc/57/06/74/535570674.db2.gz JHEVBOWEXZEWPI-ZDUSSCGKSA-N 2 1 338.496 1.012 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1cccnc1 ZINC000263853664 535593452 /nfs/dbraw/zinc/59/34/52/535593452.db2.gz ZHJKKXYQICCLIV-BBVFFXRHSA-N 2 1 330.476 1.969 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000236895920 535772269 /nfs/dbraw/zinc/77/22/69/535772269.db2.gz OQBYVOLFUHQJKS-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP CC[C@@H](Cn1cncn1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000353264090 535778340 /nfs/dbraw/zinc/77/83/40/535778340.db2.gz XEIOZJNGEVUWLT-ZWKOTPCHSA-N 2 1 329.448 1.283 20 0 EDADMP CC[C@@H](Cn1cncn1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000353264090 535778343 /nfs/dbraw/zinc/77/83/43/535778343.db2.gz XEIOZJNGEVUWLT-ZWKOTPCHSA-N 2 1 329.448 1.283 20 0 EDADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000247472436 535819703 /nfs/dbraw/zinc/81/97/03/535819703.db2.gz HFAXZHSLBJCMAM-DLBZAZTESA-N 2 1 338.540 1.639 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000247472436 535819704 /nfs/dbraw/zinc/81/97/04/535819704.db2.gz HFAXZHSLBJCMAM-DLBZAZTESA-N 2 1 338.540 1.639 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261698759 535819778 /nfs/dbraw/zinc/81/97/78/535819778.db2.gz HXNHRPKIWLZLIR-ZBFHGGJFSA-N 2 1 325.497 1.757 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000333826808 535838124 /nfs/dbraw/zinc/83/81/24/535838124.db2.gz LTVUVEKEMUGFBD-KZNAEPCWSA-N 2 1 337.508 1.853 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cn1 ZINC000333849651 536052373 /nfs/dbraw/zinc/05/23/73/536052373.db2.gz PUSWAPMVMJBJDM-DOTOQJQBSA-N 2 1 348.495 1.261 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cn1 ZINC000333849651 536052379 /nfs/dbraw/zinc/05/23/79/536052379.db2.gz PUSWAPMVMJBJDM-DOTOQJQBSA-N 2 1 348.495 1.261 20 0 EDADMP CN(C)Cc1cnc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000352753843 536057379 /nfs/dbraw/zinc/05/73/79/536057379.db2.gz GGMNEAVXRRNJEF-AWEZNQCLSA-N 2 1 326.510 1.531 20 0 EDADMP C[N@@H+](CCOc1cccc(CNC(=O)CCC[NH3+])c1)C1CCOCC1 ZINC000237189666 536400853 /nfs/dbraw/zinc/40/08/53/536400853.db2.gz WSUSEDOPOSWAQS-UHFFFAOYSA-N 2 1 349.475 1.531 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NCCC[NH+](C(C)C)C(C)C)[N@@H+](C)C1 ZINC000347327346 536779015 /nfs/dbraw/zinc/77/90/15/536779015.db2.gz MUIXWZNRAMHMOI-IRXDYDNUSA-N 2 1 342.528 1.856 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000247657099 536859600 /nfs/dbraw/zinc/85/96/00/536859600.db2.gz YUQWOOJGKYSXTM-YESZJQIVSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000247657099 536859606 /nfs/dbraw/zinc/85/96/06/536859606.db2.gz YUQWOOJGKYSXTM-YESZJQIVSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000247657099 536859611 /nfs/dbraw/zinc/85/96/11/536859611.db2.gz YUQWOOJGKYSXTM-YESZJQIVSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000252442435 536860757 /nfs/dbraw/zinc/86/07/57/536860757.db2.gz ZXYFOPCUVGPUKL-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000252442435 536860764 /nfs/dbraw/zinc/86/07/64/536860764.db2.gz ZXYFOPCUVGPUKL-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000252442435 536860777 /nfs/dbraw/zinc/86/07/77/536860777.db2.gz ZXYFOPCUVGPUKL-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000738056726 578478041 /nfs/dbraw/zinc/47/80/41/578478041.db2.gz QAOSMSPWFRXGJI-GJZGRUSLSA-N 2 1 336.480 1.861 20 0 EDADMP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000733165262 578745529 /nfs/dbraw/zinc/74/55/29/578745529.db2.gz AKEVUKFOWXRXKB-ROUUACIJSA-N 2 1 332.492 1.996 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000733778613 578784271 /nfs/dbraw/zinc/78/42/71/578784271.db2.gz DORGXIRWHPVNSA-MSOLQXFVSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000733778613 578784272 /nfs/dbraw/zinc/78/42/72/578784272.db2.gz DORGXIRWHPVNSA-MSOLQXFVSA-N 2 1 337.508 1.822 20 0 EDADMP CCCN1C(=O)C(=O)N(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1=O ZINC000738088346 579158821 /nfs/dbraw/zinc/15/88/21/579158821.db2.gz BJPAQGJQPKHLCR-UHFFFAOYSA-N 2 1 338.452 1.197 20 0 EDADMP CCCN1C(=O)C(=O)N(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1=O ZINC000738088346 579158822 /nfs/dbraw/zinc/15/88/22/579158822.db2.gz BJPAQGJQPKHLCR-UHFFFAOYSA-N 2 1 338.452 1.197 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000745688440 579557735 /nfs/dbraw/zinc/55/77/35/579557735.db2.gz QLMHZEZARJOSOJ-CZUORRHYSA-N 2 1 342.447 1.858 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000745688440 579557737 /nfs/dbraw/zinc/55/77/37/579557737.db2.gz QLMHZEZARJOSOJ-CZUORRHYSA-N 2 1 342.447 1.858 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000745733741 579560104 /nfs/dbraw/zinc/56/01/04/579560104.db2.gz BGNGFQBVIJUNRS-CZUORRHYSA-N 2 1 342.447 1.858 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000745733741 579560105 /nfs/dbraw/zinc/56/01/05/579560105.db2.gz BGNGFQBVIJUNRS-CZUORRHYSA-N 2 1 342.447 1.858 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC000749419242 579725897 /nfs/dbraw/zinc/72/58/97/579725897.db2.gz GFCWMEVSBJAAOY-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC000749419242 579725899 /nfs/dbraw/zinc/72/58/99/579725899.db2.gz GFCWMEVSBJAAOY-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2CC(C(=O)OC)=C(C)O2)C1 ZINC000778220351 580458995 /nfs/dbraw/zinc/45/89/95/580458995.db2.gz DVHZFYFDMBNBDB-HOTGVXAUSA-N 2 1 340.464 1.655 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C(=O)CC4(CCCC4)C3=O)C2)CC1 ZINC000755773814 579934622 /nfs/dbraw/zinc/93/46/22/579934622.db2.gz ASXPKFAIRLXDHZ-MRXNPFEDSA-N 2 1 333.476 1.927 20 0 EDADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000758456562 579982885 /nfs/dbraw/zinc/98/28/85/579982885.db2.gz TUIREELXNSWGIR-DJIMGWMZSA-N 2 1 338.496 1.221 20 0 EDADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000762788666 580083291 /nfs/dbraw/zinc/08/32/91/580083291.db2.gz PSXFOCLUKDTJFW-NFAWXSAZSA-N 2 1 334.407 1.400 20 0 EDADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000762788666 580083292 /nfs/dbraw/zinc/08/32/92/580083292.db2.gz PSXFOCLUKDTJFW-NFAWXSAZSA-N 2 1 334.407 1.400 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cnn(-c2ccccc2)c1 ZINC000765738477 580150280 /nfs/dbraw/zinc/15/02/80/580150280.db2.gz FBPPQDGWTMAKGH-MRXNPFEDSA-N 2 1 341.459 1.687 20 0 EDADMP CC(C)[C@@]1(C)NC(=O)N(C[NH+]2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000766382373 580165790 /nfs/dbraw/zinc/16/57/90/580165790.db2.gz QNZFOKMKVIYOIQ-GOSISDBHSA-N 2 1 338.496 1.964 20 0 EDADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=S)NCC(C)(C)C[NH+](C)C ZINC000769766054 580244497 /nfs/dbraw/zinc/24/44/97/580244497.db2.gz IVQZNTOUBPJJLW-OAHLLOKOSA-N 2 1 343.585 1.064 20 0 EDADMP C[NH+]1CCC(NC(=S)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000772816431 580321212 /nfs/dbraw/zinc/32/12/12/580321212.db2.gz GOWQIBCEVVPPFI-PBHICJAKSA-N 2 1 336.549 1.904 20 0 EDADMP CCS(=O)(=O)N1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000774350572 580360217 /nfs/dbraw/zinc/36/02/17/580360217.db2.gz YXEWUVXUQNLSQF-MQVJKMGUSA-N 2 1 329.510 1.263 20 0 EDADMP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779013654 580477915 /nfs/dbraw/zinc/47/79/15/580477915.db2.gz HQVJHXUJKASHFJ-MJGOQNOKSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779013654 580477916 /nfs/dbraw/zinc/47/79/16/580477916.db2.gz HQVJHXUJKASHFJ-MJGOQNOKSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000780068914 580510963 /nfs/dbraw/zinc/51/09/63/580510963.db2.gz HIUUSWYCAZJUTJ-SFHVURJKSA-N 2 1 346.475 1.084 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000780068914 580510964 /nfs/dbraw/zinc/51/09/64/580510964.db2.gz HIUUSWYCAZJUTJ-SFHVURJKSA-N 2 1 346.475 1.084 20 0 EDADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)s1 ZINC000796321034 580950868 /nfs/dbraw/zinc/95/08/68/580950868.db2.gz SETHQEHNIQPTKI-HZPDHXFCSA-N 2 1 338.521 1.938 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC000797530028 580977095 /nfs/dbraw/zinc/97/70/95/580977095.db2.gz NJKVANMTFFROAC-FUHWJXTLSA-N 2 1 331.460 1.428 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC000797530028 580977096 /nfs/dbraw/zinc/97/70/96/580977096.db2.gz NJKVANMTFFROAC-FUHWJXTLSA-N 2 1 331.460 1.428 20 0 EDADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000891855345 590656118 /nfs/dbraw/zinc/65/61/18/590656118.db2.gz JYVRHMLBZYJWIM-KSZLIROESA-N 2 1 346.475 1.314 20 0 EDADMP C[N@H+]1C[C@H]2CCN(C(=O)NCC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000891881532 590668570 /nfs/dbraw/zinc/66/85/70/590668570.db2.gz GXECGOOCRZDMGL-MSOLQXFVSA-N 2 1 328.460 1.390 20 0 EDADMP C[NH+]1C[C@H]2CCN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000891881532 590668573 /nfs/dbraw/zinc/66/85/73/590668573.db2.gz GXECGOOCRZDMGL-MSOLQXFVSA-N 2 1 328.460 1.390 20 0 EDADMP C[NH+]1C[C@H]2CCN(C(=O)NCC[N@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000891881532 590668575 /nfs/dbraw/zinc/66/85/75/590668575.db2.gz GXECGOOCRZDMGL-MSOLQXFVSA-N 2 1 328.460 1.390 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891905563 590681259 /nfs/dbraw/zinc/68/12/59/590681259.db2.gz PQHXZRQMSVOHAR-NSHDSACASA-N 2 1 325.482 1.398 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000891956463 590707078 /nfs/dbraw/zinc/70/70/78/590707078.db2.gz QPNKGCMNLRGBNO-LBPRGKRZSA-N 2 1 337.493 1.401 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000892062598 590778211 /nfs/dbraw/zinc/77/82/11/590778211.db2.gz CHSUQZCYOVWTHM-JSGCOSHPSA-N 2 1 332.439 1.910 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(F)(F)CN ZINC000892063181 590779011 /nfs/dbraw/zinc/77/90/11/590779011.db2.gz YANQDBXNSIRIIO-DZGCQCFKSA-N 2 1 340.418 1.648 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000892063181 590779014 /nfs/dbraw/zinc/77/90/14/590779014.db2.gz YANQDBXNSIRIIO-DZGCQCFKSA-N 2 1 340.418 1.648 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000892063181 590779019 /nfs/dbraw/zinc/77/90/19/590779019.db2.gz YANQDBXNSIRIIO-DZGCQCFKSA-N 2 1 340.418 1.648 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(F)(F)CN ZINC000892063183 590779135 /nfs/dbraw/zinc/77/91/35/590779135.db2.gz YANQDBXNSIRIIO-UKRRQHHQSA-N 2 1 340.418 1.648 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000892063183 590779140 /nfs/dbraw/zinc/77/91/40/590779140.db2.gz YANQDBXNSIRIIO-UKRRQHHQSA-N 2 1 340.418 1.648 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000892063183 590779143 /nfs/dbraw/zinc/77/91/43/590779143.db2.gz YANQDBXNSIRIIO-UKRRQHHQSA-N 2 1 340.418 1.648 20 0 EDADMP COc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)o1 ZINC000893352289 590798400 /nfs/dbraw/zinc/79/84/00/590798400.db2.gz HZKQBMPNGMQFTD-UHFFFAOYSA-N 2 1 331.416 1.869 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000890896326 590837887 /nfs/dbraw/zinc/83/78/87/590837887.db2.gz ASFYWHOQSCJNIV-BZSNNMDCSA-N 2 1 349.523 1.548 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@H]1C(F)(F)F ZINC000892234981 590879599 /nfs/dbraw/zinc/87/95/99/590879599.db2.gz BNHRAMRDCXZWGV-AAVRWANBSA-N 2 1 348.413 1.782 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCCOCCC[NH3+])C2)cc1 ZINC000892292435 590918972 /nfs/dbraw/zinc/91/89/72/590918972.db2.gz RJGQNWXONDOYGO-KRWDZBQOSA-N 2 1 334.464 1.234 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000892324321 590945632 /nfs/dbraw/zinc/94/56/32/590945632.db2.gz RUQLIVYJGPSMAT-FUHWJXTLSA-N 2 1 328.460 1.568 20 0 EDADMP CN1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+](C)CC1 ZINC000888985040 590953953 /nfs/dbraw/zinc/95/39/53/590953953.db2.gz IWSKGUMUMWMQPM-GOSISDBHSA-N 2 1 336.524 1.489 20 0 EDADMP CN1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+](C)CC1 ZINC000888985040 590953957 /nfs/dbraw/zinc/95/39/57/590953957.db2.gz IWSKGUMUMWMQPM-GOSISDBHSA-N 2 1 336.524 1.489 20 0 EDADMP CN1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+](C)CC1 ZINC000888985040 590953961 /nfs/dbraw/zinc/95/39/61/590953961.db2.gz IWSKGUMUMWMQPM-GOSISDBHSA-N 2 1 336.524 1.489 20 0 EDADMP CN1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+](C)CC1 ZINC000888985040 590953965 /nfs/dbraw/zinc/95/39/65/590953965.db2.gz IWSKGUMUMWMQPM-GOSISDBHSA-N 2 1 336.524 1.489 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892343151 590971650 /nfs/dbraw/zinc/97/16/50/590971650.db2.gz KJJCRRPQXCLINF-OAHLLOKOSA-N 2 1 330.476 1.816 20 0 EDADMP CC1(C)CC[C@H](CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)[NH2+]C1 ZINC000892384584 591004697 /nfs/dbraw/zinc/00/46/97/591004697.db2.gz NWTHBBJHCDATJA-CVEARBPZSA-N 2 1 331.464 1.516 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000893606037 591004815 /nfs/dbraw/zinc/00/48/15/591004815.db2.gz LWMVCJDHXZKLAE-MSOLQXFVSA-N 2 1 341.496 1.680 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000893606037 591004817 /nfs/dbraw/zinc/00/48/17/591004817.db2.gz LWMVCJDHXZKLAE-MSOLQXFVSA-N 2 1 341.496 1.680 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3C[NH+](C)C[C@H]32)C[N@H+]1Cc1ccccc1 ZINC000893622470 591015570 /nfs/dbraw/zinc/01/55/70/591015570.db2.gz SQKAOEJHLSSFGO-OQIJWPOYSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)C[NH+]1Cc1ccccc1 ZINC000893622470 591015573 /nfs/dbraw/zinc/01/55/73/591015573.db2.gz SQKAOEJHLSSFGO-OQIJWPOYSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)C[NH+]1Cc1ccccc1 ZINC000893622470 591015579 /nfs/dbraw/zinc/01/55/79/591015579.db2.gz SQKAOEJHLSSFGO-OQIJWPOYSA-N 2 1 342.487 1.995 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892496826 591049513 /nfs/dbraw/zinc/04/95/13/591049513.db2.gz MENXZJIPLQXOPM-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000891476496 591085086 /nfs/dbraw/zinc/08/50/86/591085086.db2.gz RIFLYUQFLBYQTD-JENIJYKNSA-N 2 1 330.476 1.882 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)c1cccc(F)c1 ZINC000891534215 591110884 /nfs/dbraw/zinc/11/08/84/591110884.db2.gz AZLLLTVHETYUTK-USXIJHARSA-N 2 1 334.439 1.774 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891538101 591113230 /nfs/dbraw/zinc/11/32/30/591113230.db2.gz JVTDYUVUGBAJNE-HNNXBMFYSA-N 2 1 326.485 1.319 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891578862 591133692 /nfs/dbraw/zinc/13/36/92/591133692.db2.gz BIZWIILACGGFTG-MRXNPFEDSA-N 2 1 340.512 1.709 20 0 EDADMP CN(C(=O)NCCCCN1CC[NH+](C)CC1)C1(C[NH3+])CCCCC1 ZINC000891580603 591135771 /nfs/dbraw/zinc/13/57/71/591135771.db2.gz YOWSCTGJZBBALK-UHFFFAOYSA-N 2 1 339.528 1.317 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000891590894 591137943 /nfs/dbraw/zinc/13/79/43/591137943.db2.gz FCCFTIZQWMIRNC-VDHUWJSZSA-N 2 1 346.475 1.312 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000891590894 591137947 /nfs/dbraw/zinc/13/79/47/591137947.db2.gz FCCFTIZQWMIRNC-VDHUWJSZSA-N 2 1 346.475 1.312 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891630094 591157250 /nfs/dbraw/zinc/15/72/50/591157250.db2.gz FEIHUDSXKQRUBH-HNNXBMFYSA-N 2 1 326.485 1.176 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000893988865 591161230 /nfs/dbraw/zinc/16/12/30/591161230.db2.gz CZRSTLQILUHNHG-FUHWJXTLSA-N 2 1 343.475 1.644 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000891758655 591213530 /nfs/dbraw/zinc/21/35/30/591213530.db2.gz KTXPQVSJRQOENB-DDBAPUKQSA-N 2 1 330.476 1.934 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000891757896 591213736 /nfs/dbraw/zinc/21/37/36/591213736.db2.gz ADALDFRRUNCGKE-RANZSIQMSA-N 2 1 328.460 1.653 20 0 EDADMP C[N@@H+]1CC[C@@H]1CNc1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC000895770809 591269633 /nfs/dbraw/zinc/26/96/33/591269633.db2.gz RNJKHKLPFHSLIC-CQSZACIVSA-N 2 1 326.448 1.498 20 0 EDADMP C[N@H+]1CC[C@@H]1CNc1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC000895770809 591269634 /nfs/dbraw/zinc/26/96/34/591269634.db2.gz RNJKHKLPFHSLIC-CQSZACIVSA-N 2 1 326.448 1.498 20 0 EDADMP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000895809643 591274289 /nfs/dbraw/zinc/27/42/89/591274289.db2.gz NZWHDKWWEHYIKA-IBGZPJMESA-N 2 1 349.519 1.822 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000894905217 591467578 /nfs/dbraw/zinc/46/75/78/591467578.db2.gz BYCGIMPVBNSAMM-YESZJQIVSA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000894905217 591467581 /nfs/dbraw/zinc/46/75/81/591467581.db2.gz BYCGIMPVBNSAMM-YESZJQIVSA-N 2 1 340.512 1.347 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000894905217 591467583 /nfs/dbraw/zinc/46/75/83/591467583.db2.gz BYCGIMPVBNSAMM-YESZJQIVSA-N 2 1 340.512 1.347 20 0 EDADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n[nH]1 ZINC000896521109 591490165 /nfs/dbraw/zinc/49/01/65/591490165.db2.gz QAQCMGNQAFEJNQ-YOEHRIQHSA-N 2 1 331.464 1.734 20 0 EDADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n[nH]1 ZINC000896521109 591490168 /nfs/dbraw/zinc/49/01/68/591490168.db2.gz QAQCMGNQAFEJNQ-YOEHRIQHSA-N 2 1 331.464 1.734 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897778277 591649212 /nfs/dbraw/zinc/64/92/12/591649212.db2.gz BYPMDMZGGHVKDQ-SFHVURJKSA-N 2 1 346.475 1.083 20 0 EDADMP CCCCNc1cc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)nc(N)n1 ZINC000897220438 591775621 /nfs/dbraw/zinc/77/56/21/591775621.db2.gz BFUTUMNJYTXFDV-UONOGXRCSA-N 2 1 334.468 1.306 20 0 EDADMP CN1CCc2nc(NC(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)sc2C1 ZINC000895484377 591778385 /nfs/dbraw/zinc/77/83/85/591778385.db2.gz WSLOUFNPABBKFI-ZDUSSCGKSA-N 2 1 346.460 1.873 20 0 EDADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000899558177 591849530 /nfs/dbraw/zinc/84/95/30/591849530.db2.gz DIWHVORDYSZUFQ-HNNXBMFYSA-N 2 1 325.522 1.901 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)c1ccccc1 ZINC000900077612 591888377 /nfs/dbraw/zinc/88/83/77/591888377.db2.gz RASQENLNTBZSKZ-SCTDSRPQSA-N 2 1 333.476 1.641 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000900116535 591904742 /nfs/dbraw/zinc/90/47/42/591904742.db2.gz QICBHPWWYKRNIS-LJQANCHMSA-N 2 1 331.460 1.008 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000900116535 591904745 /nfs/dbraw/zinc/90/47/45/591904745.db2.gz QICBHPWWYKRNIS-LJQANCHMSA-N 2 1 331.460 1.008 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000900116535 591904748 /nfs/dbraw/zinc/90/47/48/591904748.db2.gz QICBHPWWYKRNIS-LJQANCHMSA-N 2 1 331.460 1.008 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)C1CCCCC1 ZINC000900198208 591938378 /nfs/dbraw/zinc/93/83/78/591938378.db2.gz ULFLXQVSMRRZRC-SJLPKXTDSA-N 2 1 325.497 1.460 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000900199161 591948345 /nfs/dbraw/zinc/94/83/45/591948345.db2.gz QRBUZXYXFCEWDN-MSOLQXFVSA-N 2 1 338.540 1.782 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000900199161 591948347 /nfs/dbraw/zinc/94/83/47/591948347.db2.gz QRBUZXYXFCEWDN-MSOLQXFVSA-N 2 1 338.540 1.782 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000900199161 591948350 /nfs/dbraw/zinc/94/83/50/591948350.db2.gz QRBUZXYXFCEWDN-MSOLQXFVSA-N 2 1 338.540 1.782 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)C1 ZINC000902394053 591990811 /nfs/dbraw/zinc/99/08/11/591990811.db2.gz VGSWSNQXTKHGDO-KBPBESRZSA-N 2 1 338.473 1.589 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000900344535 591996633 /nfs/dbraw/zinc/99/66/33/591996633.db2.gz LSOVEWQNLULLMY-QZTJIDSGSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000900344535 591996635 /nfs/dbraw/zinc/99/66/35/591996635.db2.gz LSOVEWQNLULLMY-QZTJIDSGSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000900344535 591996636 /nfs/dbraw/zinc/99/66/36/591996636.db2.gz LSOVEWQNLULLMY-QZTJIDSGSA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC[C@@]([NH3+])(CO)C2)cc[nH+]1 ZINC000900375846 592000825 /nfs/dbraw/zinc/00/08/25/592000825.db2.gz MGNOTQJMQQWBQD-ZVZYQTTQSA-N 2 1 349.479 1.382 20 0 EDADMP O=S(=O)(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)CC(F)(F)F ZINC000903199694 592134336 /nfs/dbraw/zinc/13/43/36/592134336.db2.gz MCMSGSCJNZRELW-VGPLMAKISA-N 2 1 340.411 1.711 20 0 EDADMP O=S(=O)(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)CC(F)(F)F ZINC000903199694 592134337 /nfs/dbraw/zinc/13/43/37/592134337.db2.gz MCMSGSCJNZRELW-VGPLMAKISA-N 2 1 340.411 1.711 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000900816804 592135777 /nfs/dbraw/zinc/13/57/77/592135777.db2.gz CNHSQZNDDQGGGM-MSOLQXFVSA-N 2 1 338.540 1.591 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000900816804 592135779 /nfs/dbraw/zinc/13/57/79/592135779.db2.gz CNHSQZNDDQGGGM-MSOLQXFVSA-N 2 1 338.540 1.591 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000900816804 592135781 /nfs/dbraw/zinc/13/57/81/592135781.db2.gz CNHSQZNDDQGGGM-MSOLQXFVSA-N 2 1 338.540 1.591 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000900821284 592137381 /nfs/dbraw/zinc/13/73/81/592137381.db2.gz MUWRQQJTYZZLAN-OAGGEKHMSA-N 2 1 339.480 1.060 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000900821284 592137382 /nfs/dbraw/zinc/13/73/82/592137382.db2.gz MUWRQQJTYZZLAN-OAGGEKHMSA-N 2 1 339.480 1.060 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000900821284 592137386 /nfs/dbraw/zinc/13/73/86/592137386.db2.gz MUWRQQJTYZZLAN-OAGGEKHMSA-N 2 1 339.480 1.060 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000900821284 592137388 /nfs/dbraw/zinc/13/73/88/592137388.db2.gz MUWRQQJTYZZLAN-OAGGEKHMSA-N 2 1 339.480 1.060 20 0 EDADMP C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1C[N@@H+](C)CCN1C ZINC000900800706 592142183 /nfs/dbraw/zinc/14/21/83/592142183.db2.gz APRTTYIEJJOWOZ-CGTJXYLNSA-N 2 1 332.492 1.430 20 0 EDADMP C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900800706 592142188 /nfs/dbraw/zinc/14/21/88/592142188.db2.gz APRTTYIEJJOWOZ-CGTJXYLNSA-N 2 1 332.492 1.430 20 0 EDADMP C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CN(C)CC[N@H+]1C ZINC000900800706 592142191 /nfs/dbraw/zinc/14/21/91/592142191.db2.gz APRTTYIEJJOWOZ-CGTJXYLNSA-N 2 1 332.492 1.430 20 0 EDADMP c1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c2c(c1)C[NH2+]CC2 ZINC000903506729 592180320 /nfs/dbraw/zinc/18/03/20/592180320.db2.gz XPZTXDXUVNEHEQ-BGYRXZFFSA-N 3 1 340.515 1.733 20 0 EDADMP c1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c2c(c1)C[NH2+]CC2 ZINC000903506729 592180323 /nfs/dbraw/zinc/18/03/23/592180323.db2.gz XPZTXDXUVNEHEQ-BGYRXZFFSA-N 3 1 340.515 1.733 20 0 EDADMP c1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c2c(c1)C[NH2+]CC2 ZINC000903506729 592180325 /nfs/dbraw/zinc/18/03/25/592180325.db2.gz XPZTXDXUVNEHEQ-BGYRXZFFSA-N 3 1 340.515 1.733 20 0 EDADMP COC(=O)c1coc([C@@H](C)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000903506790 592180689 /nfs/dbraw/zinc/18/06/89/592180689.db2.gz ZMCWEDGNIGAGPZ-YUELXQCFSA-N 2 1 348.447 1.423 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000900973127 592182324 /nfs/dbraw/zinc/18/23/24/592182324.db2.gz FZYXCWAMSLFUCI-PHXBYCTMSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000900973127 592182327 /nfs/dbraw/zinc/18/23/27/592182327.db2.gz FZYXCWAMSLFUCI-PHXBYCTMSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000900973127 592182331 /nfs/dbraw/zinc/18/23/31/592182331.db2.gz FZYXCWAMSLFUCI-PHXBYCTMSA-N 2 1 345.487 1.611 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@H]1CC[NH3+] ZINC000903496061 592187712 /nfs/dbraw/zinc/18/77/12/592187712.db2.gz DHKJQIHBCWXQER-HUUCEWRRSA-N 2 1 344.459 1.669 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000900998269 592201170 /nfs/dbraw/zinc/20/11/70/592201170.db2.gz YJUMGRKNIHEOMK-SJORKVTESA-N 2 1 336.524 1.534 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000900998269 592201172 /nfs/dbraw/zinc/20/11/72/592201172.db2.gz YJUMGRKNIHEOMK-SJORKVTESA-N 2 1 336.524 1.534 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000900998269 592201174 /nfs/dbraw/zinc/20/11/74/592201174.db2.gz YJUMGRKNIHEOMK-SJORKVTESA-N 2 1 336.524 1.534 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000901025855 592203242 /nfs/dbraw/zinc/20/32/42/592203242.db2.gz LRGFCNLQLJMOEE-NOCIGQNYSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000901025855 592203244 /nfs/dbraw/zinc/20/32/44/592203244.db2.gz LRGFCNLQLJMOEE-NOCIGQNYSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000901025855 592203246 /nfs/dbraw/zinc/20/32/46/592203246.db2.gz LRGFCNLQLJMOEE-NOCIGQNYSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000901025855 592203248 /nfs/dbraw/zinc/20/32/48/592203248.db2.gz LRGFCNLQLJMOEE-NOCIGQNYSA-N 2 1 331.460 1.221 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906649988 592234999 /nfs/dbraw/zinc/23/49/99/592234999.db2.gz IFCMWDNVGSTPKX-CQSZACIVSA-N 2 1 332.448 1.320 20 0 EDADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1C ZINC000904351146 592237152 /nfs/dbraw/zinc/23/71/52/592237152.db2.gz UYCVFVZRJXJIRW-INIZCTEOSA-N 2 1 347.459 1.601 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000906661695 592243760 /nfs/dbraw/zinc/24/37/60/592243760.db2.gz SVSSCJVSUXGFRF-IAGOWNOFSA-N 2 1 336.524 1.393 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000906661695 592243764 /nfs/dbraw/zinc/24/37/64/592243764.db2.gz SVSSCJVSUXGFRF-IAGOWNOFSA-N 2 1 336.524 1.393 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000906661695 592243767 /nfs/dbraw/zinc/24/37/67/592243767.db2.gz SVSSCJVSUXGFRF-IAGOWNOFSA-N 2 1 336.524 1.393 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000906661695 592243771 /nfs/dbraw/zinc/24/37/71/592243771.db2.gz SVSSCJVSUXGFRF-IAGOWNOFSA-N 2 1 336.524 1.393 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000906661695 592243773 /nfs/dbraw/zinc/24/37/73/592243773.db2.gz SVSSCJVSUXGFRF-IAGOWNOFSA-N 2 1 336.524 1.393 20 0 EDADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[NH+](C)C ZINC000901129227 592244369 /nfs/dbraw/zinc/24/43/69/592244369.db2.gz BMAGLGIAXYSWSU-KSZLIROESA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000901153497 592264300 /nfs/dbraw/zinc/26/43/00/592264300.db2.gz WSSREZUMMSKTCZ-AEFFLSMTSA-N 2 1 325.497 1.317 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000901153497 592264304 /nfs/dbraw/zinc/26/43/04/592264304.db2.gz WSSREZUMMSKTCZ-AEFFLSMTSA-N 2 1 325.497 1.317 20 0 EDADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000901153497 592264306 /nfs/dbraw/zinc/26/43/06/592264306.db2.gz WSSREZUMMSKTCZ-AEFFLSMTSA-N 2 1 325.497 1.317 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000901156849 592265087 /nfs/dbraw/zinc/26/50/87/592265087.db2.gz IEFJOSSTMVKVHD-DOTOQJQBSA-N 2 1 345.491 1.534 20 0 EDADMP CC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCN(c2ccccc2)C1=O ZINC000903729083 592286046 /nfs/dbraw/zinc/28/60/46/592286046.db2.gz JQDSOKFRKUCJFT-CMKODMSKSA-N 2 1 343.471 1.882 20 0 EDADMP Cc1csc(N2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903731927 592288357 /nfs/dbraw/zinc/28/83/57/592288357.db2.gz BGKYVHDZVLLHRO-HNNXBMFYSA-N 2 1 336.505 1.732 20 0 EDADMP C[C@@H]1CN(CC[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000903753144 592296683 /nfs/dbraw/zinc/29/66/83/592296683.db2.gz RSQPCIWPPWAZKJ-BBWFWOEESA-N 2 1 325.497 1.186 20 0 EDADMP FC(F)(c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1)C1CC[NH2+]CC1 ZINC000904636609 592299132 /nfs/dbraw/zinc/29/91/32/592299132.db2.gz CSNQXLSGJDJJMN-NWDGAFQWSA-N 2 1 328.363 1.697 20 0 EDADMP FC(F)(c1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1)C1CC[NH2+]CC1 ZINC000904636609 592299134 /nfs/dbraw/zinc/29/91/34/592299134.db2.gz CSNQXLSGJDJJMN-NWDGAFQWSA-N 2 1 328.363 1.697 20 0 EDADMP Cc1nsc(N2CCC[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)n1 ZINC000903741930 592304879 /nfs/dbraw/zinc/30/48/79/592304879.db2.gz TVDXNQUABBATSM-GOEBONIOSA-N 2 1 337.493 1.127 20 0 EDADMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903763227 592307616 /nfs/dbraw/zinc/30/76/16/592307616.db2.gz IWMPJGGTMCJOKV-IUODEOHRSA-N 2 1 349.397 1.146 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](C[C@H]3CCC[C@@H](C(F)(F)F)O3)C2)nn1 ZINC000903760989 592307844 /nfs/dbraw/zinc/30/78/44/592307844.db2.gz MKXGYWUBFAADRY-MCIONIFRSA-N 2 1 347.385 1.874 20 0 EDADMP c1c([C@@H]2CCC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000903770148 592310564 /nfs/dbraw/zinc/31/05/64/592310564.db2.gz TUEDYWLKAHDWBN-IAGOWNOFSA-N 3 1 346.523 1.388 20 0 EDADMP c1c([C@@H]2CCCN(C[C@@H]3CCCC[NH2+]C3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000903770148 592310569 /nfs/dbraw/zinc/31/05/69/592310569.db2.gz TUEDYWLKAHDWBN-IAGOWNOFSA-N 2 1 346.523 1.388 20 0 EDADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000908095488 592313117 /nfs/dbraw/zinc/31/31/17/592313117.db2.gz WTHGKBCOINLIND-IEBWSBKVSA-N 2 1 349.475 1.261 20 0 EDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000903823263 592334032 /nfs/dbraw/zinc/33/40/32/592334032.db2.gz FNGYLVWFTQGVFU-OAHLLOKOSA-N 2 1 325.840 1.510 20 0 EDADMP COc1ccccc1N1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903829591 592334999 /nfs/dbraw/zinc/33/49/99/592334999.db2.gz IBNWTSADIOXECZ-XLIONFOSSA-N 2 1 345.487 1.976 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCN(c3nccs3)CC2)cnn1C ZINC000903885696 592363450 /nfs/dbraw/zinc/36/34/50/592363450.db2.gz JKPRSCVPIOERDU-HNNXBMFYSA-N 2 1 348.520 1.515 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905047679 592379051 /nfs/dbraw/zinc/37/90/51/592379051.db2.gz VGIBHZLFZDMNPF-MHORFTMASA-N 2 1 328.497 1.237 20 0 EDADMP Fc1ccc(O[C@H]2CC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000903937219 592387409 /nfs/dbraw/zinc/38/74/09/592387409.db2.gz FBXYQTBIKOGLRT-QAPCUYQASA-N 2 1 345.422 1.995 20 0 EDADMP Fc1ccc(O[C@H]2CC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000903937219 592387417 /nfs/dbraw/zinc/38/74/17/592387417.db2.gz FBXYQTBIKOGLRT-QAPCUYQASA-N 2 1 345.422 1.995 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cnn1C ZINC000903937994 592387814 /nfs/dbraw/zinc/38/78/14/592387814.db2.gz XEFVALILSMJUSB-DOTOQJQBSA-N 3 1 342.491 1.452 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cnn1C ZINC000903937994 592387817 /nfs/dbraw/zinc/38/78/17/592387817.db2.gz XEFVALILSMJUSB-DOTOQJQBSA-N 3 1 342.491 1.452 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2c2ccnn2C)cnn1C ZINC000903916587 592389375 /nfs/dbraw/zinc/38/93/75/592389375.db2.gz HYXSKVALRVNWCJ-MAUKXSAKSA-N 2 1 330.480 1.807 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCC[C@@H]2c2ccnn2C)cnn1C ZINC000903916587 592389380 /nfs/dbraw/zinc/38/93/80/592389380.db2.gz HYXSKVALRVNWCJ-MAUKXSAKSA-N 2 1 330.480 1.807 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000903978207 592399175 /nfs/dbraw/zinc/39/91/75/592399175.db2.gz AAWMYOCQNZBFKP-AAEUAGOBSA-N 2 1 337.361 1.550 20 0 EDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)CC2(O)CCCCC2)CCCO1 ZINC000905229304 592458658 /nfs/dbraw/zinc/45/86/58/592458658.db2.gz AMFGSLYVRYADGC-IAGOWNOFSA-N 2 1 328.497 1.523 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000908442041 592496806 /nfs/dbraw/zinc/49/68/06/592496806.db2.gz HZYSIUPICNEEOZ-CQSZACIVSA-N 2 1 331.424 1.187 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000908442041 592496811 /nfs/dbraw/zinc/49/68/11/592496811.db2.gz HZYSIUPICNEEOZ-CQSZACIVSA-N 2 1 331.424 1.187 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000908571969 592544272 /nfs/dbraw/zinc/54/42/72/592544272.db2.gz PGYJDYBNPILHQB-UHFFFAOYSA-N 2 1 333.480 1.535 20 0 EDADMP CO[C@H]1CCN(Cc2nc(C(=O)N3C[C@H](C)[N@H+](C)C[C@@H]3C)co2)C1 ZINC000907191999 592552802 /nfs/dbraw/zinc/55/28/02/592552802.db2.gz DVZYSQQXXRULBJ-IHRRRGAJSA-N 2 1 336.436 1.060 20 0 EDADMP CO[C@H]1CCN(Cc2nc(C(=O)N3C[C@H](C)[N@@H+](C)C[C@@H]3C)co2)C1 ZINC000907191999 592552803 /nfs/dbraw/zinc/55/28/03/592552803.db2.gz DVZYSQQXXRULBJ-IHRRRGAJSA-N 2 1 336.436 1.060 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000905669421 592606808 /nfs/dbraw/zinc/60/68/08/592606808.db2.gz XNZMTJFAIGPFGN-IXDOHACOSA-N 2 1 325.497 1.724 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000905669421 592606811 /nfs/dbraw/zinc/60/68/11/592606811.db2.gz XNZMTJFAIGPFGN-IXDOHACOSA-N 2 1 325.497 1.724 20 0 EDADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000905669421 592606813 /nfs/dbraw/zinc/60/68/13/592606813.db2.gz XNZMTJFAIGPFGN-IXDOHACOSA-N 2 1 325.497 1.724 20 0 EDADMP O=c1[nH]c(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)nc2ccccc21 ZINC000905699725 592613721 /nfs/dbraw/zinc/61/37/21/592613721.db2.gz CDPZWINCHZFZFX-GASCZTMLSA-N 2 1 339.443 1.740 20 0 EDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000905709930 592619466 /nfs/dbraw/zinc/61/94/66/592619466.db2.gz REYOGXAADDUNKS-HBFSDRIKSA-N 2 1 346.471 1.945 20 0 EDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000905709930 592619467 /nfs/dbraw/zinc/61/94/67/592619467.db2.gz REYOGXAADDUNKS-HBFSDRIKSA-N 2 1 346.471 1.945 20 0 EDADMP [NH3+][C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CC[C@H]1C(F)(F)F ZINC000905722194 592629511 /nfs/dbraw/zinc/62/95/11/592629511.db2.gz KOUUCLNTMBWPHI-GHMZBOCLSA-N 2 1 331.342 1.029 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000909919195 592713533 /nfs/dbraw/zinc/71/35/33/592713533.db2.gz VFVGIKJUTMTIEA-UHFFFAOYSA-N 2 1 338.521 1.132 20 0 EDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C12CC[NH+](CC1)C2 ZINC000907739958 592766834 /nfs/dbraw/zinc/76/68/34/592766834.db2.gz XNOYJMCGFRDBSD-SFHVURJKSA-N 2 1 343.471 1.490 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)C1 ZINC000907843199 592823830 /nfs/dbraw/zinc/82/38/30/592823830.db2.gz DGBFHRQJVPIMDJ-KRWDZBQOSA-N 2 1 346.475 1.504 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000910869565 592898488 /nfs/dbraw/zinc/89/84/88/592898488.db2.gz JCRAOTWLMJSPOS-GOSISDBHSA-N 2 1 337.508 1.555 20 0 EDADMP CC(C)[NH+](CCO)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000910869565 592898489 /nfs/dbraw/zinc/89/84/89/592898489.db2.gz JCRAOTWLMJSPOS-GOSISDBHSA-N 2 1 337.508 1.555 20 0 EDADMP CC(C)[NH+](CCO)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000910869565 592898490 /nfs/dbraw/zinc/89/84/90/592898490.db2.gz JCRAOTWLMJSPOS-GOSISDBHSA-N 2 1 337.508 1.555 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)C[C@@H](C)n2ccnc2)CC1 ZINC000910875669 592899284 /nfs/dbraw/zinc/89/92/84/592899284.db2.gz NPIHWFCCYIJRQL-MRXNPFEDSA-N 2 1 336.480 1.776 20 0 EDADMP C[NH2+]CCCNC(=O)[C@@H]([NH3+])c1cc(Br)ccc1OC ZINC000911677998 592980193 /nfs/dbraw/zinc/98/01/93/592980193.db2.gz XJADVJGQWWCWEH-LBPRGKRZSA-N 2 1 330.226 1.183 20 0 EDADMP CC[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911841277 593021713 /nfs/dbraw/zinc/02/17/13/593021713.db2.gz OAPPQDHYLQSOAR-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CC[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911841277 593021716 /nfs/dbraw/zinc/02/17/16/593021716.db2.gz OAPPQDHYLQSOAR-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP O[C@@H](C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000838847595 593224080 /nfs/dbraw/zinc/22/40/80/593224080.db2.gz MZUHZBNRXCAUFI-UXHICEINSA-N 2 1 329.488 1.649 20 0 EDADMP COCC[NH+](CCOC)C1CC[NH+](CCC(=O)N2CCCC2)CC1 ZINC000839011362 593251390 /nfs/dbraw/zinc/25/13/90/593251390.db2.gz HNIHYSDDCSMOTN-UHFFFAOYSA-N 2 1 341.496 1.058 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC3(CC2)OCCCO3)CC1 ZINC000815157926 593618650 /nfs/dbraw/zinc/61/86/50/593618650.db2.gz YBSPUDKOGYCIEX-UHFFFAOYSA-N 2 1 339.480 1.204 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815615968 593644516 /nfs/dbraw/zinc/64/45/16/593644516.db2.gz CDDZLUBRERGHAB-RDTXWAMCSA-N 2 1 333.432 1.751 20 0 EDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815615968 593644518 /nfs/dbraw/zinc/64/45/18/593644518.db2.gz CDDZLUBRERGHAB-RDTXWAMCSA-N 2 1 333.432 1.751 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000817897148 593646656 /nfs/dbraw/zinc/64/66/56/593646656.db2.gz GHQTXVKFOJNPOD-GUDVDZBRSA-N 2 1 345.487 1.782 20 0 EDADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000817897148 593646657 /nfs/dbraw/zinc/64/66/57/593646657.db2.gz GHQTXVKFOJNPOD-GUDVDZBRSA-N 2 1 345.487 1.782 20 0 EDADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000818968520 593731084 /nfs/dbraw/zinc/73/10/84/593731084.db2.gz CTQKNFCDFHNDDN-GOSISDBHSA-N 2 1 347.459 1.208 20 0 EDADMP CON(C)C(=O)CC[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000818974470 593731624 /nfs/dbraw/zinc/73/16/24/593731624.db2.gz ARMNIIVPBLPYPV-HNNXBMFYSA-N 2 1 335.448 1.407 20 0 EDADMP CON(C)C(=O)CC[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000818974470 593731625 /nfs/dbraw/zinc/73/16/25/593731625.db2.gz ARMNIIVPBLPYPV-HNNXBMFYSA-N 2 1 335.448 1.407 20 0 EDADMP Cc1ccc([C@H](O)C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000818998629 593733196 /nfs/dbraw/zinc/73/31/96/593733196.db2.gz SYTLHGHQGVFXNZ-ZWKOTPCHSA-N 2 1 333.476 1.561 20 0 EDADMP Cc1ccc([C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000818998629 593733197 /nfs/dbraw/zinc/73/31/97/593733197.db2.gz SYTLHGHQGVFXNZ-ZWKOTPCHSA-N 2 1 333.476 1.561 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@H](O)c2c(F)cccc2F)C1 ZINC000819004474 593733478 /nfs/dbraw/zinc/73/34/78/593733478.db2.gz PBKDMOQQWHJXNW-WFASDCNBSA-N 2 1 341.402 1.175 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000819004474 593733479 /nfs/dbraw/zinc/73/34/79/593733479.db2.gz PBKDMOQQWHJXNW-WFASDCNBSA-N 2 1 341.402 1.175 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000819004474 593733480 /nfs/dbraw/zinc/73/34/80/593733480.db2.gz PBKDMOQQWHJXNW-WFASDCNBSA-N 2 1 341.402 1.175 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000819061336 593736629 /nfs/dbraw/zinc/73/66/29/593736629.db2.gz KXVYVAOROVXWMY-ICSRJNTNSA-N 2 1 348.487 1.968 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000819093248 593738511 /nfs/dbraw/zinc/73/85/11/593738511.db2.gz MTVJIUKWQKXJAN-ZBCRRDGASA-N 2 1 341.496 1.867 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000819093248 593738512 /nfs/dbraw/zinc/73/85/12/593738512.db2.gz MTVJIUKWQKXJAN-ZBCRRDGASA-N 2 1 341.496 1.867 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000840453385 594005194 /nfs/dbraw/zinc/00/51/94/594005194.db2.gz PSSFPKQRXDKKSJ-PBHICJAKSA-N 2 1 329.460 1.162 20 0 EDADMP c1ccc(C[N@H+]2CCC[C@H](c3nc(N4CC[NH2+]CC4)no3)C2)cc1 ZINC000823315526 594184655 /nfs/dbraw/zinc/18/46/55/594184655.db2.gz MYODNGIJQOGKPD-INIZCTEOSA-N 2 1 327.432 1.859 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)C[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000830734264 594467820 /nfs/dbraw/zinc/46/78/20/594467820.db2.gz JWKYPTCWMSGHCE-GOSISDBHSA-N 2 1 346.475 1.379 20 0 EDADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1C(=O)OC(C)(C)C ZINC000828932355 594532818 /nfs/dbraw/zinc/53/28/18/594532818.db2.gz RRICHDDCUWCTCJ-OWCLPIDISA-N 2 1 326.481 1.743 20 0 EDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1C(=O)OC(C)(C)C ZINC000828932355 594532819 /nfs/dbraw/zinc/53/28/19/594532819.db2.gz RRICHDDCUWCTCJ-OWCLPIDISA-N 2 1 326.481 1.743 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC000829578812 594644218 /nfs/dbraw/zinc/64/42/18/594644218.db2.gz XFUCBYLRXRMYJW-KRWDZBQOSA-N 2 1 325.497 1.534 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC000829578812 594644219 /nfs/dbraw/zinc/64/42/19/594644219.db2.gz XFUCBYLRXRMYJW-KRWDZBQOSA-N 2 1 325.497 1.534 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)CC[C@@H]21 ZINC000827309785 594660092 /nfs/dbraw/zinc/66/00/92/594660092.db2.gz HXTCHUQJGYHQRE-NJAFHUGGSA-N 2 1 328.460 1.599 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)CC[C@@H]21 ZINC000827309785 594660093 /nfs/dbraw/zinc/66/00/93/594660093.db2.gz HXTCHUQJGYHQRE-NJAFHUGGSA-N 2 1 328.460 1.599 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)CC[C@@H]21 ZINC000827309785 594660094 /nfs/dbraw/zinc/66/00/94/594660094.db2.gz HXTCHUQJGYHQRE-NJAFHUGGSA-N 2 1 328.460 1.599 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)CC[C@@H]21 ZINC000827309785 594660095 /nfs/dbraw/zinc/66/00/95/594660095.db2.gz HXTCHUQJGYHQRE-NJAFHUGGSA-N 2 1 328.460 1.599 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841928663 594983670 /nfs/dbraw/zinc/98/36/70/594983670.db2.gz QWRHASGYEKQXID-OAHLLOKOSA-N 2 1 348.491 1.174 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc([C@]4(F)CC[NH2+]C4)n3)cn2)CC1 ZINC000843199634 595030829 /nfs/dbraw/zinc/03/08/29/595030829.db2.gz ZQVSHYNPSWZLHW-INIZCTEOSA-N 2 1 332.383 1.042 20 0 EDADMP C[N@@H+](CCOc1ccc(S(C)(=O)=O)cc1)C1CCC([NH3+])CC1 ZINC000843354684 595084988 /nfs/dbraw/zinc/08/49/88/595084988.db2.gz BZSHYACRZPACII-UHFFFAOYSA-N 2 1 326.462 1.671 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000843358096 595086150 /nfs/dbraw/zinc/08/61/50/595086150.db2.gz BAANHRTWKQOTNG-FHWLQOOXSA-N 2 1 345.487 1.394 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000843358096 595086156 /nfs/dbraw/zinc/08/61/56/595086156.db2.gz BAANHRTWKQOTNG-FHWLQOOXSA-N 2 1 345.487 1.394 20 0 EDADMP O=C(CC[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)N1CC[NH2+]CC1 ZINC000843358427 595087116 /nfs/dbraw/zinc/08/71/16/595087116.db2.gz ONZCUAFDOOTLJO-PKOBYXMFSA-N 2 1 331.460 1.396 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@H](O)c2cnc[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000867400631 595101720 /nfs/dbraw/zinc/10/17/20/595101720.db2.gz DBPIYBPMYIEWAX-RDJZCZTQSA-N 2 1 328.416 1.566 20 0 EDADMP CCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000842478182 595115589 /nfs/dbraw/zinc/11/55/89/595115589.db2.gz GWMKTQGBFZQCPD-GDBMZVCRSA-N 2 1 336.484 1.459 20 0 EDADMP CCCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000842478182 595115592 /nfs/dbraw/zinc/11/55/92/595115592.db2.gz GWMKTQGBFZQCPD-GDBMZVCRSA-N 2 1 336.484 1.459 20 0 EDADMP CN(C(=O)CO[C@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844174240 595291974 /nfs/dbraw/zinc/29/19/74/595291974.db2.gz SCOWGBCBKYPABD-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NOC3CC[NH+](C)CC3)cc2)CC1 ZINC000846647552 595292177 /nfs/dbraw/zinc/29/21/77/595292177.db2.gz VDQKSHIPBCRDPT-UHFFFAOYSA-N 2 1 346.475 1.190 20 0 EDADMP CC[NH2+]CC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000844192341 595298433 /nfs/dbraw/zinc/29/84/33/595298433.db2.gz MCSYUMZNGBFHBQ-UHFFFAOYSA-N 2 1 332.492 1.310 20 0 EDADMP CC[NH2+]CC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000844191619 595298699 /nfs/dbraw/zinc/29/86/99/595298699.db2.gz ZPWHDFBECLVDNF-UHFFFAOYSA-N 2 1 338.883 1.578 20 0 EDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846708891 595305053 /nfs/dbraw/zinc/30/50/53/595305053.db2.gz XLGUHUMVWXOFIU-HOTGVXAUSA-N 2 1 346.475 1.663 20 0 EDADMP C[N@@H+](CC(=O)NCCN1CCc2ccccc21)C1CCC([NH3+])CC1 ZINC000844220711 595306194 /nfs/dbraw/zinc/30/61/94/595306194.db2.gz KLDPZHWYZUMKDX-UHFFFAOYSA-N 2 1 330.476 1.367 20 0 EDADMP COC(=O)N1CCC(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000848550378 595404485 /nfs/dbraw/zinc/40/44/85/595404485.db2.gz KXWNSMQTMKJOBE-MRXNPFEDSA-N 2 1 325.453 1.308 20 0 EDADMP COC(=O)/C=C/c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)o1 ZINC000848910224 595466415 /nfs/dbraw/zinc/46/64/15/595466415.db2.gz GDVYKRDSRMHAQK-BQYQJAHWSA-N 2 1 335.448 1.535 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)s1 ZINC000848930896 595469384 /nfs/dbraw/zinc/46/93/84/595469384.db2.gz YBQVNGWCVIVIPP-HNNXBMFYSA-N 2 1 338.521 1.891 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000849069873 595477456 /nfs/dbraw/zinc/47/74/56/595477456.db2.gz YUZJHVWTFFFHNL-KRWDZBQOSA-N 3 1 329.492 1.717 20 0 EDADMP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000849094310 595480686 /nfs/dbraw/zinc/48/06/86/595480686.db2.gz FDXQNSPSGXXZTC-AEFFLSMTSA-N 2 1 330.476 1.796 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000845502107 595508144 /nfs/dbraw/zinc/50/81/44/595508144.db2.gz ISGPJGLXPVALJA-CRAIPNDOSA-N 2 1 346.475 1.514 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849491594 595549539 /nfs/dbraw/zinc/54/95/39/595549539.db2.gz ZRKNCFDGPOYVLY-ZACQAIPSSA-N 2 1 333.480 1.056 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849491594 595549541 /nfs/dbraw/zinc/54/95/41/595549541.db2.gz ZRKNCFDGPOYVLY-ZACQAIPSSA-N 2 1 333.480 1.056 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849491594 595549544 /nfs/dbraw/zinc/54/95/44/595549544.db2.gz ZRKNCFDGPOYVLY-ZACQAIPSSA-N 2 1 333.480 1.056 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849495933 595550345 /nfs/dbraw/zinc/55/03/45/595550345.db2.gz GXQHVZKTDQSJOE-PVAVHDDUSA-N 2 1 335.496 1.300 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000849495275 595550370 /nfs/dbraw/zinc/55/03/70/595550370.db2.gz BSMHRRBWTMQHBS-ROUUACIJSA-N 2 1 347.507 1.448 20 0 EDADMP CC1(C)CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000852866136 595585821 /nfs/dbraw/zinc/58/58/21/595585821.db2.gz FSYLELOZAVNNQE-OAHLLOKOSA-N 2 1 330.432 1.213 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC[C@H]2CCC[NH+](C)C2)cn1 ZINC000849600118 595588872 /nfs/dbraw/zinc/58/88/72/595588872.db2.gz DCLZDKQEDRKFEP-NXHRZFHOSA-N 2 1 347.507 1.304 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@H]2C(=O)NCC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000849600118 595588874 /nfs/dbraw/zinc/58/88/74/595588874.db2.gz DCLZDKQEDRKFEP-NXHRZFHOSA-N 2 1 347.507 1.304 20 0 EDADMP Cn1cc([C@@H]2C[NH+](C)CC[C@H]2C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000849600118 595588877 /nfs/dbraw/zinc/58/88/77/595588877.db2.gz DCLZDKQEDRKFEP-NXHRZFHOSA-N 2 1 347.507 1.304 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000853823523 595892684 /nfs/dbraw/zinc/89/26/84/595892684.db2.gz XSIFRDLNXAYCSQ-DJIMGWMZSA-N 2 1 338.496 1.100 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000856280681 595941174 /nfs/dbraw/zinc/94/11/74/595941174.db2.gz BESQISRPWKEKGX-IAGOWNOFSA-N 2 1 349.523 1.692 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000856280681 595941175 /nfs/dbraw/zinc/94/11/75/595941175.db2.gz BESQISRPWKEKGX-IAGOWNOFSA-N 2 1 349.523 1.692 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000856280681 595941176 /nfs/dbraw/zinc/94/11/76/595941176.db2.gz BESQISRPWKEKGX-IAGOWNOFSA-N 2 1 349.523 1.692 20 0 EDADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H]3CCNC3=O)C2)ccn1 ZINC000856599407 596029474 /nfs/dbraw/zinc/02/94/74/596029474.db2.gz IPDJEMJAHTURLB-IAGOWNOFSA-N 2 1 332.448 1.263 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H]3CCNC3=O)C2)ccn1 ZINC000856599407 596029478 /nfs/dbraw/zinc/02/94/78/596029478.db2.gz IPDJEMJAHTURLB-IAGOWNOFSA-N 2 1 332.448 1.263 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)ccn1 ZINC000856599407 596029481 /nfs/dbraw/zinc/02/94/81/596029481.db2.gz IPDJEMJAHTURLB-IAGOWNOFSA-N 2 1 332.448 1.263 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)ccn1 ZINC000856599407 596029484 /nfs/dbraw/zinc/02/94/84/596029484.db2.gz IPDJEMJAHTURLB-IAGOWNOFSA-N 2 1 332.448 1.263 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000861563289 596030421 /nfs/dbraw/zinc/03/04/21/596030421.db2.gz MYBMRUHJLBKXFO-LBPRGKRZSA-N 2 1 340.418 1.918 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[S@](C)=O)C2)ccn1 ZINC000856603764 596032442 /nfs/dbraw/zinc/03/24/42/596032442.db2.gz FPMBCHKADOAASA-HXOBKFHXSA-N 2 1 339.505 1.753 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC[S@](C)=O)C2)ccn1 ZINC000856603764 596032447 /nfs/dbraw/zinc/03/24/47/596032447.db2.gz FPMBCHKADOAASA-HXOBKFHXSA-N 2 1 339.505 1.753 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC[S@](C)=O)C2)ccn1 ZINC000856603764 596032452 /nfs/dbraw/zinc/03/24/52/596032452.db2.gz FPMBCHKADOAASA-HXOBKFHXSA-N 2 1 339.505 1.753 20 0 EDADMP CCc1noc(C[C@@]2(O)CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000856671176 596044864 /nfs/dbraw/zinc/04/48/64/596044864.db2.gz JJOHCDBMHSOCSH-YJBOKZPZSA-N 2 1 336.480 1.876 20 0 EDADMP CCc1noc(C[C@@]2(O)CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000856671176 596044866 /nfs/dbraw/zinc/04/48/66/596044866.db2.gz JJOHCDBMHSOCSH-YJBOKZPZSA-N 2 1 336.480 1.876 20 0 EDADMP CCc1noc(C[C@@]2(O)CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000856671176 596044869 /nfs/dbraw/zinc/04/48/69/596044869.db2.gz JJOHCDBMHSOCSH-YJBOKZPZSA-N 2 1 336.480 1.876 20 0 EDADMP CCc1noc(C[C@@]2(O)CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000856671176 596044871 /nfs/dbraw/zinc/04/48/71/596044871.db2.gz JJOHCDBMHSOCSH-YJBOKZPZSA-N 2 1 336.480 1.876 20 0 EDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000852106074 596045774 /nfs/dbraw/zinc/04/57/74/596045774.db2.gz TWRKJXWDZLQMTI-KRWDZBQOSA-N 2 1 337.489 1.294 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000852106074 596045775 /nfs/dbraw/zinc/04/57/75/596045775.db2.gz TWRKJXWDZLQMTI-KRWDZBQOSA-N 2 1 337.489 1.294 20 0 EDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000852106074 596045778 /nfs/dbraw/zinc/04/57/78/596045778.db2.gz TWRKJXWDZLQMTI-KRWDZBQOSA-N 2 1 337.489 1.294 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000861626665 596051037 /nfs/dbraw/zinc/05/10/37/596051037.db2.gz RXYSZVKFJXCFKA-GOEBONIOSA-N 2 1 336.505 1.593 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000861626665 596051040 /nfs/dbraw/zinc/05/10/40/596051040.db2.gz RXYSZVKFJXCFKA-GOEBONIOSA-N 2 1 336.505 1.593 20 0 EDADMP CN(CCOCC[NH3+])C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000861630623 596051321 /nfs/dbraw/zinc/05/13/21/596051321.db2.gz UFMUEDFDPWQQMS-IBGZPJMESA-N 2 1 348.491 1.515 20 0 EDADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861745369 596086337 /nfs/dbraw/zinc/08/63/37/596086337.db2.gz JQRCTXIJGXKCEE-NVXWUHKLSA-N 2 1 348.491 1.065 20 0 EDADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861745368 596086367 /nfs/dbraw/zinc/08/63/67/596086367.db2.gz JQRCTXIJGXKCEE-DOTOQJQBSA-N 2 1 348.491 1.065 20 0 EDADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000852744941 596237457 /nfs/dbraw/zinc/23/74/57/596237457.db2.gz LKBDVZSZBSMSJS-OAHLLOKOSA-N 2 1 341.377 1.927 20 0 EDADMP COC(=O)/C=C\c1ccc(OCC[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000866665988 596285114 /nfs/dbraw/zinc/28/51/14/596285114.db2.gz JVURABBHRBDZQJ-CTEOGUNLSA-N 2 1 334.416 1.301 20 0 EDADMP COC(=O)/C=C\c1ccc(OCC[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000866665988 596285117 /nfs/dbraw/zinc/28/51/17/596285117.db2.gz JVURABBHRBDZQJ-CTEOGUNLSA-N 2 1 334.416 1.301 20 0 EDADMP NC(=O)c1ccc(CC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000866667651 596286263 /nfs/dbraw/zinc/28/62/63/596286263.db2.gz UAGLALLUTFCPII-KSZLIROESA-N 2 1 331.460 1.546 20 0 EDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000866706325 596301896 /nfs/dbraw/zinc/30/18/96/596301896.db2.gz OCXAMCVNVNGHSO-OXQOHEQNSA-N 2 1 345.487 1.803 20 0 EDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000866706325 596301898 /nfs/dbraw/zinc/30/18/98/596301898.db2.gz OCXAMCVNVNGHSO-OXQOHEQNSA-N 2 1 345.487 1.803 20 0 EDADMP [NH3+][C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000870873812 596385755 /nfs/dbraw/zinc/38/57/55/596385755.db2.gz MOKKGFREJPZIBM-OCCSQVGLSA-N 2 1 338.249 1.802 20 0 EDADMP [NH3+][C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000870873812 596385758 /nfs/dbraw/zinc/38/57/58/596385758.db2.gz MOKKGFREJPZIBM-OCCSQVGLSA-N 2 1 338.249 1.802 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000864922871 596417451 /nfs/dbraw/zinc/41/74/51/596417451.db2.gz JAFNPCJJEFVTDL-UHFFFAOYSA-N 2 1 339.403 1.586 20 0 EDADMP C[C@@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)C1CC[NH2+]CC1 ZINC000870984189 596429841 /nfs/dbraw/zinc/42/98/41/596429841.db2.gz JMPMUNJQOAXADC-CQSZACIVSA-N 2 1 333.480 1.136 20 0 EDADMP CC(C)[C@H](C[NH2+]Cc1cc2c(cc[nH]c2=O)o1)N1CC[NH+](C)CC1 ZINC000865411389 596566161 /nfs/dbraw/zinc/56/61/61/596566161.db2.gz WFWCZMFBOJBCHX-INIZCTEOSA-N 2 1 332.448 1.895 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000869777262 596628002 /nfs/dbraw/zinc/62/80/02/596628002.db2.gz LHGMKBZUGDCBFN-SFHVURJKSA-N 2 1 345.487 1.857 20 0 EDADMP C[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000871599475 596649025 /nfs/dbraw/zinc/64/90/25/596649025.db2.gz QQVCBNRZSBWTDS-RHSMWYFYSA-N 2 1 329.444 1.685 20 0 EDADMP C[C@@H]1C[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000871599475 596649026 /nfs/dbraw/zinc/64/90/26/596649026.db2.gz QQVCBNRZSBWTDS-RHSMWYFYSA-N 2 1 329.444 1.685 20 0 EDADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCO1 ZINC000872032928 596798124 /nfs/dbraw/zinc/79/81/24/596798124.db2.gz CKGWRRNAXPQRIX-PMPSAXMXSA-N 2 1 325.497 1.757 20 0 EDADMP C[C@]12C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C[C@@]1(C)CS(=O)(=O)C2 ZINC000872147337 596811186 /nfs/dbraw/zinc/81/11/86/596811186.db2.gz HUOAGJUCGKTNTI-HDICACEKSA-N 2 1 334.485 1.589 20 0 EDADMP C[C@]12C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C[C@@]1(C)CS(=O)(=O)C2 ZINC000872147337 596811189 /nfs/dbraw/zinc/81/11/89/596811189.db2.gz HUOAGJUCGKTNTI-HDICACEKSA-N 2 1 334.485 1.589 20 0 EDADMP COC(=O)c1ccccc1OCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151471 596813541 /nfs/dbraw/zinc/81/35/41/596813541.db2.gz KWKRITLWUUTUMP-WCQYABFASA-N 2 1 346.349 1.921 20 0 EDADMP COC(=O)c1ccccc1OCC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151471 596813543 /nfs/dbraw/zinc/81/35/43/596813543.db2.gz KWKRITLWUUTUMP-WCQYABFASA-N 2 1 346.349 1.921 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CCO1 ZINC000872158701 596817114 /nfs/dbraw/zinc/81/71/14/596817114.db2.gz XENRFIYVLODVGT-JFIYKMOQSA-N 2 1 337.508 1.853 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[NH2+]CCC3(C)C)cc2)CC1 ZINC000872297750 596872237 /nfs/dbraw/zinc/87/22/37/596872237.db2.gz VEHMSGALMCCAHG-UHFFFAOYSA-N 2 1 344.503 1.648 20 0 EDADMP O=C1N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C[C@H]2CCCCN12 ZINC000872559986 596965160 /nfs/dbraw/zinc/96/51/60/596965160.db2.gz FIDRXXRCJYSFAW-QGZVFWFLSA-N 2 1 336.480 1.278 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(Cl)n1C ZINC000874266320 596991961 /nfs/dbraw/zinc/99/19/61/596991961.db2.gz JJVOCMYXCUVNSZ-CYBMUJFWSA-N 2 1 341.887 1.562 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000874365654 597037970 /nfs/dbraw/zinc/03/79/70/597037970.db2.gz RUXLTZKAPREFGW-IAGOWNOFSA-N 2 1 344.459 1.382 20 0 EDADMP Nc1nsc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)n1 ZINC000873207030 597226957 /nfs/dbraw/zinc/22/69/57/597226957.db2.gz IAAHXYRZPIXKTB-UHFFFAOYSA-N 2 1 336.490 1.150 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1c[nH]nc1-c1ccc3c(c1)OCO3)C2 ZINC000873227163 597233836 /nfs/dbraw/zinc/23/38/36/597233836.db2.gz CRBXKTYWPYDFEN-KBXCAEBGSA-N 2 1 326.400 1.847 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1c[nH]nc1-c1ccc3c(c1)OCO3)C2 ZINC000873227163 597233839 /nfs/dbraw/zinc/23/38/39/597233839.db2.gz CRBXKTYWPYDFEN-KBXCAEBGSA-N 2 1 326.400 1.847 20 0 EDADMP [NH3+][C@@H](C(=O)NCC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000876713352 597300070 /nfs/dbraw/zinc/30/00/70/597300070.db2.gz OEPUYQBSZUEETA-CYBMUJFWSA-N 2 1 326.238 1.661 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2c(C[NH3+])cnn2C)C1 ZINC000876742281 597317649 /nfs/dbraw/zinc/31/76/49/597317649.db2.gz XARRDXQPSCGFSG-CABCVRRESA-N 2 1 333.480 1.605 20 0 EDADMP Cn1ncc(C[NH3+])c1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000876782023 597339013 /nfs/dbraw/zinc/33/90/13/597339013.db2.gz LQYYKVMAOCSOIQ-UHFFFAOYSA-N 2 1 342.447 1.273 20 0 EDADMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876961782 597397948 /nfs/dbraw/zinc/39/79/48/597397948.db2.gz XASQURFCQMPLMU-NSHGMRRFSA-N 2 1 343.471 1.402 20 0 EDADMP O=C(CC[NH2+]CC1CC1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000876961765 597398035 /nfs/dbraw/zinc/39/80/35/597398035.db2.gz WXBHAYOPTLVJMR-GOSISDBHSA-N 2 1 331.460 1.259 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000877153602 597444466 /nfs/dbraw/zinc/44/44/66/597444466.db2.gz ILLPRKLUSLMLHS-MRXNPFEDSA-N 2 1 347.507 1.527 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000877229197 597468957 /nfs/dbraw/zinc/46/89/57/597468957.db2.gz IWINTEVMFNGEFI-WMZOPIPTSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000877229197 597468960 /nfs/dbraw/zinc/46/89/60/597468960.db2.gz IWINTEVMFNGEFI-WMZOPIPTSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000877229111 597469008 /nfs/dbraw/zinc/46/90/08/597469008.db2.gz HIJNSLOBSPAXHI-KBAYOESNSA-N 2 1 331.460 1.310 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000877229111 597469010 /nfs/dbraw/zinc/46/90/10/597469010.db2.gz HIJNSLOBSPAXHI-KBAYOESNSA-N 2 1 331.460 1.310 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000877229110 597469166 /nfs/dbraw/zinc/46/91/66/597469166.db2.gz HIJNSLOBSPAXHI-JQHSSLGASA-N 2 1 331.460 1.310 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000877229110 597469167 /nfs/dbraw/zinc/46/91/67/597469167.db2.gz HIJNSLOBSPAXHI-JQHSSLGASA-N 2 1 331.460 1.310 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000877374666 597503984 /nfs/dbraw/zinc/50/39/84/597503984.db2.gz NAMKCRUDXNXAFL-CMKODMSKSA-N 2 1 327.472 1.967 20 0 EDADMP O[C@@]1(C[NH+]2CCC3(CC2)OCCO3)CC[N@H+](Cc2ccccc2)C1 ZINC000877965511 597566842 /nfs/dbraw/zinc/56/68/42/597566842.db2.gz IOMWXRFHZOGWET-GOSISDBHSA-N 2 1 332.444 1.462 20 0 EDADMP O[C@@]1(C[NH+]2CCC3(CC2)OCCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000877965511 597566843 /nfs/dbraw/zinc/56/68/43/597566843.db2.gz IOMWXRFHZOGWET-GOSISDBHSA-N 2 1 332.444 1.462 20 0 EDADMP c1nnnn1CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000878160038 597583065 /nfs/dbraw/zinc/58/30/65/597583065.db2.gz DICKMKHFPBJDJJ-GOSISDBHSA-N 2 1 326.448 1.661 20 0 EDADMP c1nnnn1CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000878160038 597583066 /nfs/dbraw/zinc/58/30/66/597583066.db2.gz DICKMKHFPBJDJJ-GOSISDBHSA-N 2 1 326.448 1.661 20 0 EDADMP c1nnnn1CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000878160038 597583067 /nfs/dbraw/zinc/58/30/67/597583067.db2.gz DICKMKHFPBJDJJ-GOSISDBHSA-N 2 1 326.448 1.661 20 0 EDADMP c1nnnn1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000878197536 597586040 /nfs/dbraw/zinc/58/60/40/597586040.db2.gz NZZDSQOXERLSGQ-ROUUACIJSA-N 2 1 326.448 1.660 20 0 EDADMP c1nnnn1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000878197536 597586041 /nfs/dbraw/zinc/58/60/41/597586041.db2.gz NZZDSQOXERLSGQ-ROUUACIJSA-N 2 1 326.448 1.660 20 0 EDADMP c1nnnn1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000878197536 597586042 /nfs/dbraw/zinc/58/60/42/597586042.db2.gz NZZDSQOXERLSGQ-ROUUACIJSA-N 2 1 326.448 1.660 20 0 EDADMP c1nnnn1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000878197536 597586043 /nfs/dbraw/zinc/58/60/43/597586043.db2.gz NZZDSQOXERLSGQ-ROUUACIJSA-N 2 1 326.448 1.660 20 0 EDADMP CC[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000878393816 597599536 /nfs/dbraw/zinc/59/95/36/597599536.db2.gz YHAABIBLYPWAFU-SFHVURJKSA-N 2 1 346.475 1.777 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000878393816 597599537 /nfs/dbraw/zinc/59/95/37/597599537.db2.gz YHAABIBLYPWAFU-SFHVURJKSA-N 2 1 346.475 1.777 20 0 EDADMP C[C@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000883035771 597626776 /nfs/dbraw/zinc/62/67/76/597626776.db2.gz OPXNGGJBGRMJJZ-INIZCTEOSA-N 2 1 347.463 1.024 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3CSC[C@H]3C2)CC1 ZINC000879558332 597631655 /nfs/dbraw/zinc/63/16/55/597631655.db2.gz IRGAMDZJPJMSDX-HUUCEWRRSA-N 2 1 325.522 1.660 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)CC1 ZINC000878562600 597635645 /nfs/dbraw/zinc/63/56/45/597635645.db2.gz AYMNJERGOQWCOT-FQEVSTJZSA-N 2 1 345.487 1.223 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)CC1 ZINC000878562600 597635647 /nfs/dbraw/zinc/63/56/47/597635647.db2.gz AYMNJERGOQWCOT-FQEVSTJZSA-N 2 1 345.487 1.223 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000883062050 597636710 /nfs/dbraw/zinc/63/67/10/597636710.db2.gz PJJBAWPIAPGQQT-NVXWUHKLSA-N 2 1 334.464 1.691 20 0 EDADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@H](O)CC(C)(C)O ZINC000878603202 597651645 /nfs/dbraw/zinc/65/16/45/597651645.db2.gz UIIJIYPGLBCUQQ-LJQANCHMSA-N 2 1 349.519 1.258 20 0 EDADMP C[C@H](C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](C)CO)c1ccccc1 ZINC000878619393 597657040 /nfs/dbraw/zinc/65/70/40/597657040.db2.gz LQOTZCAFTPHSEL-SJORKVTESA-N 2 1 347.503 1.683 20 0 EDADMP COC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000883191651 597681745 /nfs/dbraw/zinc/68/17/45/597681745.db2.gz GCYOHKWUUKFXSB-HSALFYBXSA-N 2 1 348.487 1.655 20 0 EDADMP COC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000883191651 597681749 /nfs/dbraw/zinc/68/17/49/597681749.db2.gz GCYOHKWUUKFXSB-HSALFYBXSA-N 2 1 348.487 1.655 20 0 EDADMP O=C1[C@H]([N@H+]2CCCN(c3cc[nH+]cc3)CC2)CCN1C1CCOCC1 ZINC000878744294 597697336 /nfs/dbraw/zinc/69/73/36/597697336.db2.gz REMCOKKUTDXQQA-GOSISDBHSA-N 2 1 344.459 1.374 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000883329488 597714614 /nfs/dbraw/zinc/71/46/14/597714614.db2.gz LTTZHFKRHCZSSQ-KRWDZBQOSA-N 2 1 348.491 1.563 20 0 EDADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000883585581 597813578 /nfs/dbraw/zinc/81/35/78/597813578.db2.gz RHDSKEHMXDQRHE-NVXWUHKLSA-N 2 1 329.448 1.454 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C[C@H]1[NH3+] ZINC000883586381 597814393 /nfs/dbraw/zinc/81/43/93/597814393.db2.gz KQUUJKKUUHSABM-FHLIZLRMSA-N 2 1 343.475 1.782 20 0 EDADMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)N1CCC[NH2+]CC1 ZINC000883586763 597815006 /nfs/dbraw/zinc/81/50/06/597815006.db2.gz RWOMGCYCSQDPCD-GOSISDBHSA-N 2 1 343.475 1.798 20 0 EDADMP COCC[N@H+](CC(=O)NC(C1CC1)C1CC1)CC1CC[NH+](C)CC1 ZINC000879125705 597827826 /nfs/dbraw/zinc/82/78/26/597827826.db2.gz HCCWFTPFJXVGAF-UHFFFAOYSA-N 2 1 337.508 1.581 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@@H](COC)C3)CC2)CC1 ZINC000882095256 597867010 /nfs/dbraw/zinc/86/70/10/597867010.db2.gz DMUYRQLAKPWXSG-WOVMCDHWSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000880614409 597981977 /nfs/dbraw/zinc/98/19/77/597981977.db2.gz VPBBEBGGMITBEX-SJORKVTESA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000880614409 597981978 /nfs/dbraw/zinc/98/19/78/597981978.db2.gz VPBBEBGGMITBEX-SJORKVTESA-N 2 1 339.524 1.968 20 0 EDADMP C[NH2+][C@@H](CC(C)C)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000884198611 598024916 /nfs/dbraw/zinc/02/49/16/598024916.db2.gz BEKKVVGRBZGKGQ-KRWDZBQOSA-N 2 1 346.475 1.647 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]([NH3+])CC3CC3)cc2)CC1 ZINC000884202187 598027421 /nfs/dbraw/zinc/02/74/21/598027421.db2.gz SHTGHXWYCVMEOI-QGZVFWFLSA-N 2 1 344.459 1.530 20 0 EDADMP CN(C(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000884213210 598031435 /nfs/dbraw/zinc/03/14/35/598031435.db2.gz WAQVBEWCGNEBQU-RDJZCZTQSA-N 2 1 327.428 1.998 20 0 EDADMP C[NH+](C)CCn1ccc2ccc(NC(=O)c3ncoc3C[NH3+])cc21 ZINC000884224613 598035771 /nfs/dbraw/zinc/03/57/71/598035771.db2.gz UDXVBNKNVCCKHO-UHFFFAOYSA-N 2 1 327.388 1.902 20 0 EDADMP COCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000884318278 598064138 /nfs/dbraw/zinc/06/41/38/598064138.db2.gz RTJVHFOCJMJGCC-CYBMUJFWSA-N 2 1 344.253 1.813 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000914076093 695071467 /nfs/dbraw/zinc/07/14/67/695071467.db2.gz PPDHGIOQXXGSFN-WBVHZDCISA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000914076093 695071469 /nfs/dbraw/zinc/07/14/69/695071469.db2.gz PPDHGIOQXXGSFN-WBVHZDCISA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000914076093 695071471 /nfs/dbraw/zinc/07/14/71/695071471.db2.gz PPDHGIOQXXGSFN-WBVHZDCISA-N 2 1 338.496 1.413 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914081391 695078705 /nfs/dbraw/zinc/07/87/05/695078705.db2.gz VPMCAZJILFTWPO-PMPSAXMXSA-N 2 1 340.537 1.740 20 0 EDADMP O=C(NC1CN(CC2CC(F)(F)C2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001031081730 695483840 /nfs/dbraw/zinc/48/38/40/695483840.db2.gz BPWGFVWEIQEHOA-CABCVRRESA-N 2 1 327.419 1.849 20 0 EDADMP CC1CC[NH+](CC(=O)NC2C[NH+](CCCC3CCOCC3)C2)CC1 ZINC001031142652 695578447 /nfs/dbraw/zinc/57/84/47/695578447.db2.gz FGYUXVFWNQZOPX-UHFFFAOYSA-N 2 1 337.508 1.726 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccsc2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031857481 700015430 /nfs/dbraw/zinc/01/54/30/700015430.db2.gz WCDSQLIJASNTLI-BFHRDPOASA-N 2 1 347.484 1.159 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000915136302 695748450 /nfs/dbraw/zinc/74/84/50/695748450.db2.gz OXSFWKQLZUVBOC-DOTOQJQBSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000915136302 695748452 /nfs/dbraw/zinc/74/84/52/695748452.db2.gz OXSFWKQLZUVBOC-DOTOQJQBSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CC[N@H+]1C ZINC000915360464 695801143 /nfs/dbraw/zinc/80/11/43/695801143.db2.gz GJWFGKYPISHCRW-GDBMZVCRSA-N 2 1 334.464 1.519 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@H+]1CC1CCC1 ZINC000993362320 696009170 /nfs/dbraw/zinc/00/91/70/696009170.db2.gz HLGBZVLTJVXKNK-NVXWUHKLSA-N 2 1 347.507 1.828 20 0 EDADMP C[C@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@H+]1CCn1cncn1 ZINC000993669285 696298539 /nfs/dbraw/zinc/29/85/39/696298539.db2.gz AFXISHODKVAADT-JKSUJKDBSA-N 2 1 348.495 1.122 20 0 EDADMP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@H]2CC[N@H+]2C)cc1 ZINC000916808167 696784644 /nfs/dbraw/zinc/78/46/44/696784644.db2.gz RGEABMWCWOWNRH-MRXNPFEDSA-N 2 1 334.464 1.173 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000918121587 697133610 /nfs/dbraw/zinc/13/36/10/697133610.db2.gz PAOXHKNIUTZGDT-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP CN(C)c1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001031579699 697275344 /nfs/dbraw/zinc/27/53/44/697275344.db2.gz KKXGJUNKSWHVAP-SFHVURJKSA-N 2 1 330.476 1.395 20 0 EDADMP CCc1ccc([C@H](O)C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001031585264 697280938 /nfs/dbraw/zinc/28/09/38/697280938.db2.gz USSHMKDGMWOWNZ-RTBURBONSA-N 2 1 345.487 1.425 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccnc1 ZINC000919628431 697305235 /nfs/dbraw/zinc/30/52/35/697305235.db2.gz SKLJQDZLCSBQCN-ROUUACIJSA-N 2 1 345.491 1.858 20 0 EDADMP Cc1ncsc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665666 697446181 /nfs/dbraw/zinc/44/61/81/697446181.db2.gz CZASCJAPHDGTHO-OAHLLOKOSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1ncsc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031665666 697446182 /nfs/dbraw/zinc/44/61/82/697446182.db2.gz CZASCJAPHDGTHO-OAHLLOKOSA-N 2 1 336.505 1.872 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031669721 697465390 /nfs/dbraw/zinc/46/53/90/697465390.db2.gz RZBIGVURGDYHFD-CVEARBPZSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031669721 697465392 /nfs/dbraw/zinc/46/53/92/697465392.db2.gz RZBIGVURGDYHFD-CVEARBPZSA-N 2 1 332.448 1.405 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1F ZINC001031681029 697501429 /nfs/dbraw/zinc/50/14/29/697501429.db2.gz CGMYVZGZLLMGNB-CZUORRHYSA-N 2 1 349.450 1.723 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1F ZINC001031681029 697501431 /nfs/dbraw/zinc/50/14/31/697501431.db2.gz CGMYVZGZLLMGNB-CZUORRHYSA-N 2 1 349.450 1.723 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCC[C@H]3CCOC3)C2)CC[N@H+]1C ZINC001031687001 697517186 /nfs/dbraw/zinc/51/71/86/697517186.db2.gz XLGUBXLCGOUZAS-RYQLBKOJSA-N 2 1 337.508 1.581 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccc(F)c2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688540 697525514 /nfs/dbraw/zinc/52/55/14/697525514.db2.gz HZLUWMQZDUFVTH-QZTJIDSGSA-N 2 1 347.434 1.237 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccc(F)c2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688540 697525515 /nfs/dbraw/zinc/52/55/15/697525515.db2.gz HZLUWMQZDUFVTH-QZTJIDSGSA-N 2 1 347.434 1.237 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688881 697527386 /nfs/dbraw/zinc/52/73/86/697527386.db2.gz MYQFIUBRWUAWGA-ROUUACIJSA-N 2 1 329.444 1.098 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2nc(CN(C)C)cs2)C1 ZINC000921422658 697601578 /nfs/dbraw/zinc/60/15/78/697601578.db2.gz BLETUZATVUSCGX-TZMCWYRMSA-N 2 1 339.509 1.733 20 0 EDADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)c2cccs2)CC1 ZINC000921471601 697627401 /nfs/dbraw/zinc/62/74/01/697627401.db2.gz JRXVESNXZVXAGF-HNNXBMFYSA-N 2 1 332.473 1.927 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001031713738 697735057 /nfs/dbraw/zinc/73/50/57/697735057.db2.gz DMHJKTOMYXPKIP-ZWKOTPCHSA-N 2 1 337.508 1.724 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001031713835 697739574 /nfs/dbraw/zinc/73/95/74/697739574.db2.gz GHGSRDGQYUWWKC-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001031713893 697740189 /nfs/dbraw/zinc/74/01/89/697740189.db2.gz HRBPVVFENMVIQT-RTBURBONSA-N 2 1 345.487 1.642 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccnc2C)C1 ZINC000995036084 700183698 /nfs/dbraw/zinc/18/36/98/700183698.db2.gz KCMAFCMIYDYWIB-AEFFLSMTSA-N 2 1 341.459 1.970 20 0 EDADMP CC[C@@H](F)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727480 697955840 /nfs/dbraw/zinc/95/58/40/697955840.db2.gz IERLGJTUQUBJIJ-NVXWUHKLSA-N 2 1 341.471 1.426 20 0 EDADMP CC[C@@H](F)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727480 697955843 /nfs/dbraw/zinc/95/58/43/697955843.db2.gz IERLGJTUQUBJIJ-NVXWUHKLSA-N 2 1 341.471 1.426 20 0 EDADMP CCc1nocc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000995038552 700226900 /nfs/dbraw/zinc/22/69/00/700226900.db2.gz QJHFPWSYUWIAOA-GDBMZVCRSA-N 2 1 345.447 1.817 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cscn2)C1 ZINC000995039367 700234322 /nfs/dbraw/zinc/23/43/22/700234322.db2.gz SPLRJEPJHXTAHG-KBPBESRZSA-N 2 1 333.461 1.723 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cccnc3)C2)CC1 ZINC001032094995 698642563 /nfs/dbraw/zinc/64/25/63/698642563.db2.gz RKLSNPHDVVWBJU-UHFFFAOYSA-N 2 1 330.476 1.750 20 0 EDADMP CC(C)n1cc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)nn1 ZINC000939054481 699114894 /nfs/dbraw/zinc/11/48/94/699114894.db2.gz JSKOZZIEMSGOBT-YOEHRIQHSA-N 2 1 348.495 1.137 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCc2ccccc2F)C1 ZINC001031776778 699169698 /nfs/dbraw/zinc/16/96/98/699169698.db2.gz NXDGRAUYDXCRGM-SFHVURJKSA-N 2 1 333.451 1.901 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939137205 699223994 /nfs/dbraw/zinc/22/39/94/699223994.db2.gz FMYJFACLXYVOLQ-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939137205 699223996 /nfs/dbraw/zinc/22/39/96/699223996.db2.gz FMYJFACLXYVOLQ-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP CC1CC(C[NH+]2CC(N3CCN(C(=O)C[N@H+]4CCC[C@H]4C)CC3)C2)C1 ZINC000941566722 701585358 /nfs/dbraw/zinc/58/53/58/701585358.db2.gz KYTAEQPDXVBXOM-LXPRWKDFSA-N 2 1 348.535 1.345 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000939315950 699489008 /nfs/dbraw/zinc/48/90/08/699489008.db2.gz PAUIIZRONPABCC-UKRRQHHQSA-N 2 1 345.434 1.191 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cnon3)C2)CC1 ZINC000939449438 699581878 /nfs/dbraw/zinc/58/18/78/699581878.db2.gz XOMAGSWCSUNQKH-CJNGLKHVSA-N 2 1 335.452 1.127 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000939752904 699902268 /nfs/dbraw/zinc/90/22/68/699902268.db2.gz BIZXRTHVLLVLRL-RISCZKNCSA-N 2 1 326.391 1.673 20 0 EDADMP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000939746479 699911999 /nfs/dbraw/zinc/91/19/99/699911999.db2.gz HEESJELBGUSYNP-YVEFUNNKSA-N 2 1 345.447 1.687 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1csc(Cl)n1 ZINC000939757069 699923700 /nfs/dbraw/zinc/92/37/00/699923700.db2.gz XHQITKMZFWBFEM-YPMHNXCESA-N 2 1 342.896 1.829 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940143467 700272601 /nfs/dbraw/zinc/27/26/01/700272601.db2.gz WLKVUCVSTNMIJA-QGZVFWFLSA-N 2 1 347.507 1.765 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)nn1C ZINC000940178048 700311304 /nfs/dbraw/zinc/31/13/04/700311304.db2.gz AOOXJQMQUQTSCE-QGZVFWFLSA-N 2 1 347.507 1.684 20 0 EDADMP CC1([NH2+]CC2CC2)CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000940219666 700381146 /nfs/dbraw/zinc/38/11/46/700381146.db2.gz UFMNTZGFEDOKQY-KOHRHEQBSA-N 2 1 333.476 1.230 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000940296424 700468223 /nfs/dbraw/zinc/46/82/23/700468223.db2.gz KLKPNONZNUNUGD-UHFFFAOYSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1conc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000940327581 700504547 /nfs/dbraw/zinc/50/45/47/700504547.db2.gz JWPDOOGESLKROS-UKRRQHHQSA-N 2 1 334.464 1.651 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]Cc3cnns3)CC2)C1 ZINC000940426266 700620065 /nfs/dbraw/zinc/62/00/65/700620065.db2.gz MJBBWVBYURJAHZ-CYBMUJFWSA-N 2 1 337.493 1.351 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000940426273 700620106 /nfs/dbraw/zinc/62/01/06/700620106.db2.gz MQFGSBNERPQYPU-OAHLLOKOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940457451 700660946 /nfs/dbraw/zinc/66/09/46/700660946.db2.gz GOBVLQOVBJCCNI-MRXNPFEDSA-N 2 1 330.476 1.812 20 0 EDADMP CC1([NH2+]Cc2nc(C3CC3)no2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000940461758 700664918 /nfs/dbraw/zinc/66/49/18/700664918.db2.gz JNTQJBIJBJMKHQ-UHFFFAOYSA-N 2 1 347.463 1.514 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]Cc2ccc(F)cn2)CC1 ZINC000940461887 700665273 /nfs/dbraw/zinc/66/52/73/700665273.db2.gz QDKDLFTUQUVVIX-UHFFFAOYSA-N 2 1 345.422 1.897 20 0 EDADMP Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624647 700786386 /nfs/dbraw/zinc/78/63/86/700786386.db2.gz JCPKSYFKOJNVQT-IAGOWNOFSA-N 2 1 347.507 1.274 20 0 EDADMP Cn1nccc1CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940624647 700786387 /nfs/dbraw/zinc/78/63/87/700786387.db2.gz JCPKSYFKOJNVQT-IAGOWNOFSA-N 2 1 347.507 1.274 20 0 EDADMP Cn1nccc1CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940624647 700786388 /nfs/dbraw/zinc/78/63/88/700786388.db2.gz JCPKSYFKOJNVQT-IAGOWNOFSA-N 2 1 347.507 1.274 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3ccon3)C2)C1 ZINC000995099632 700884315 /nfs/dbraw/zinc/88/43/15/700884315.db2.gz ABDFTAOYCCABGG-CABCVRRESA-N 2 1 334.464 1.781 20 0 EDADMP Cn1nncc1CN1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842271 700938048 /nfs/dbraw/zinc/93/80/48/700938048.db2.gz BVNCLZTUVBRVMR-JKSUJKDBSA-N 2 1 348.495 1.016 20 0 EDADMP Cn1nncc1CN1CC[C@@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC000940842271 700938050 /nfs/dbraw/zinc/93/80/50/700938050.db2.gz BVNCLZTUVBRVMR-JKSUJKDBSA-N 2 1 348.495 1.016 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CN(Cc3ocnc3C)C2)C1 ZINC001031919269 701042980 /nfs/dbraw/zinc/04/29/80/701042980.db2.gz QJAHURLESAGJGE-MRXNPFEDSA-N 2 1 334.464 1.653 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ocnc3C)C2)C1 ZINC001031919269 701042982 /nfs/dbraw/zinc/04/29/82/701042982.db2.gz QJAHURLESAGJGE-MRXNPFEDSA-N 2 1 334.464 1.653 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ocnc3C)C2)C1 ZINC001031919269 701042984 /nfs/dbraw/zinc/04/29/84/701042984.db2.gz QJAHURLESAGJGE-MRXNPFEDSA-N 2 1 334.464 1.653 20 0 EDADMP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)s1 ZINC001031921686 701064207 /nfs/dbraw/zinc/06/42/07/701064207.db2.gz ZNSGVZTXCHTLAG-WFASDCNBSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)s1 ZINC001031921686 701064209 /nfs/dbraw/zinc/06/42/09/701064209.db2.gz ZNSGVZTXCHTLAG-WFASDCNBSA-N 2 1 336.505 1.730 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C)[NH+]1CCCCCC1 ZINC000941074340 701101533 /nfs/dbraw/zinc/10/15/33/701101533.db2.gz BQSVSRQIONGABI-IAGOWNOFSA-N 2 1 339.524 1.850 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166960 701377875 /nfs/dbraw/zinc/37/78/75/701377875.db2.gz NFNNEMDUMHDPHX-INIZCTEOSA-N 2 1 346.475 1.796 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941217391 701403570 /nfs/dbraw/zinc/40/35/70/701403570.db2.gz NPRUYWZPUWJREM-HOTGVXAUSA-N 2 1 333.480 1.052 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941217391 701403571 /nfs/dbraw/zinc/40/35/71/701403571.db2.gz NPRUYWZPUWJREM-HOTGVXAUSA-N 2 1 333.480 1.052 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)CC2(C)C)C1 ZINC000941217391 701403572 /nfs/dbraw/zinc/40/35/72/701403572.db2.gz NPRUYWZPUWJREM-HOTGVXAUSA-N 2 1 333.480 1.052 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)CC2(C)C)c1 ZINC000941237029 701427763 /nfs/dbraw/zinc/42/77/63/701427763.db2.gz GDWBQBUKUJZMNR-INIZCTEOSA-N 2 1 346.475 1.064 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)CC2(C)C)c1 ZINC000941237029 701427764 /nfs/dbraw/zinc/42/77/64/701427764.db2.gz GDWBQBUKUJZMNR-INIZCTEOSA-N 2 1 346.475 1.064 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941459472 701544044 /nfs/dbraw/zinc/54/40/44/701544044.db2.gz BWHZVDTZRTYIAY-IBGZPJMESA-N 2 1 348.535 1.489 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@H]3CCC(F)(F)C3)C2)C1 ZINC001032196822 701708963 /nfs/dbraw/zinc/70/89/63/701708963.db2.gz CEQHKYBHEVWIRN-ZFWWWQNUSA-N 2 1 345.434 1.191 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@H]3CCC(F)(F)C3)C2)C1 ZINC001032196822 701708966 /nfs/dbraw/zinc/70/89/66/701708966.db2.gz CEQHKYBHEVWIRN-ZFWWWQNUSA-N 2 1 345.434 1.191 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H]3CCc4ccccc43)C2)C1 ZINC001032202276 701918353 /nfs/dbraw/zinc/91/83/53/701918353.db2.gz PYIISFHVFAKYAM-MOPGFXCFSA-N 2 1 343.471 1.443 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H]3CCc4ccccc43)C2)C1 ZINC001032202276 701918359 /nfs/dbraw/zinc/91/83/59/701918359.db2.gz PYIISFHVFAKYAM-MOPGFXCFSA-N 2 1 343.471 1.443 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976768 701953480 /nfs/dbraw/zinc/95/34/80/701953480.db2.gz RRBRMAZZFISOEH-WFASDCNBSA-N 2 1 334.464 1.291 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976768 701953484 /nfs/dbraw/zinc/95/34/84/701953484.db2.gz RRBRMAZZFISOEH-WFASDCNBSA-N 2 1 334.464 1.291 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ncn1 ZINC000999188909 706630521 /nfs/dbraw/zinc/63/05/21/706630521.db2.gz FQKLQDVOVFKCGR-HLLBOEOZSA-N 2 1 331.464 1.206 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189413 706631258 /nfs/dbraw/zinc/63/12/58/706631258.db2.gz KPEBHJLPZREDKP-VNQPRFMTSA-N 2 1 334.464 1.658 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995802762 702046855 /nfs/dbraw/zinc/04/68/55/702046855.db2.gz OHLFZUIPBFHTPA-IRXDYDNUSA-N 2 1 347.507 1.620 20 0 EDADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)C(C)(C)C ZINC000354657876 702055659 /nfs/dbraw/zinc/05/56/59/702055659.db2.gz YWTFMDMFXFRQCG-HOTGVXAUSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000995791893 702086481 /nfs/dbraw/zinc/08/64/81/702086481.db2.gz FAPDERNDGNALEW-IAGOWNOFSA-N 2 1 347.507 1.620 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995870464 702173809 /nfs/dbraw/zinc/17/38/09/702173809.db2.gz IQHLSPKNLGVYPF-HZPDHXFCSA-N 2 1 334.464 1.876 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995870464 702173814 /nfs/dbraw/zinc/17/38/14/702173814.db2.gz IQHLSPKNLGVYPF-HZPDHXFCSA-N 2 1 334.464 1.876 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)no1 ZINC000995892828 702193530 /nfs/dbraw/zinc/19/35/30/702193530.db2.gz GIBSDJSZUDJBPH-HOTGVXAUSA-N 2 1 334.464 1.650 20 0 EDADMP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1(C)C ZINC000995897245 702201709 /nfs/dbraw/zinc/20/17/09/702201709.db2.gz QHRDXXOGUGHZTI-JKSUJKDBSA-N 2 1 335.496 1.296 20 0 EDADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000995899648 702205518 /nfs/dbraw/zinc/20/55/18/702205518.db2.gz XBBNSKWBLKDQGE-DLBZAZTESA-N 2 1 337.508 1.865 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186833 702284801 /nfs/dbraw/zinc/28/48/01/702284801.db2.gz XVFFFLKXXNUIGD-INIZCTEOSA-N 2 1 333.480 1.272 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186833 702284807 /nfs/dbraw/zinc/28/48/07/702284807.db2.gz XVFFFLKXXNUIGD-INIZCTEOSA-N 2 1 333.480 1.272 20 0 EDADMP CCc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)o1 ZINC000944151537 702434993 /nfs/dbraw/zinc/43/49/93/702434993.db2.gz ACSROZVELXVWEL-GDBMZVCRSA-N 2 1 346.475 1.659 20 0 EDADMP CCc1cnc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)o1 ZINC000944151537 702434994 /nfs/dbraw/zinc/43/49/94/702434994.db2.gz ACSROZVELXVWEL-GDBMZVCRSA-N 2 1 346.475 1.659 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CCc2ccns2)C(C)(C)C1 ZINC000996045366 702439731 /nfs/dbraw/zinc/43/97/31/702439731.db2.gz WDKODYCVBMWDRK-HNNXBMFYSA-N 2 1 347.488 1.717 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)on1 ZINC000944155313 702448786 /nfs/dbraw/zinc/44/87/86/702448786.db2.gz MFZNIFYNFVVDCL-XJKSGUPXSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944156687 702452480 /nfs/dbraw/zinc/45/24/80/702452480.db2.gz VORHLBDKSAJLKG-CXAGYDPISA-N 2 1 346.475 1.714 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CCCCO2)CC1 ZINC001032666026 706679674 /nfs/dbraw/zinc/67/96/74/706679674.db2.gz RZQFIZQYKIHSGI-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000996243858 702648243 /nfs/dbraw/zinc/64/82/43/702648243.db2.gz DIGGPMONRJTDPW-LSDHHAIUSA-N 2 1 337.468 1.291 20 0 EDADMP CCc1noc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995209265 702674507 /nfs/dbraw/zinc/67/45/07/702674507.db2.gz JHYXLPQVMCOLJW-KGLIPLIRSA-N 2 1 335.452 1.102 20 0 EDADMP Cc1oncc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996293186 702685744 /nfs/dbraw/zinc/68/57/44/702685744.db2.gz BPLGOSHQZUILSK-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cncs2)C1 ZINC000995210470 702686118 /nfs/dbraw/zinc/68/61/18/702686118.db2.gz LZJMGBZSDVYVRI-UONOGXRCSA-N 2 1 333.461 1.723 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996302685 702694776 /nfs/dbraw/zinc/69/47/76/702694776.db2.gz YSVQHJLAZCOQSE-RDJZCZTQSA-N 2 1 347.507 1.131 20 0 EDADMP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996302756 702694813 /nfs/dbraw/zinc/69/48/13/702694813.db2.gz YWGLCCRCMPDQQJ-HZPDHXFCSA-N 2 1 347.507 1.714 20 0 EDADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996399845 702756675 /nfs/dbraw/zinc/75/66/75/702756675.db2.gz TUPIXIXLCDOQIJ-WMLDXEAASA-N 2 1 348.491 1.842 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000995220036 702764178 /nfs/dbraw/zinc/76/41/78/702764178.db2.gz ZXDXDCJIQYZVSN-ZFWWWQNUSA-N 2 1 347.463 1.417 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)on1 ZINC000996462906 702790510 /nfs/dbraw/zinc/79/05/10/702790510.db2.gz CMMCINRIHINPPZ-QGZVFWFLSA-N 2 1 334.464 1.936 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000996463906 702791597 /nfs/dbraw/zinc/79/15/97/702791597.db2.gz JPHALJFACUHAMB-KRWDZBQOSA-N 2 1 333.480 1.374 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996503207 702825202 /nfs/dbraw/zinc/82/52/02/702825202.db2.gz YMPZABBJZUFQCW-SJLPKXTDSA-N 2 1 345.491 1.338 20 0 EDADMP O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996501573 702840626 /nfs/dbraw/zinc/84/06/26/702840626.db2.gz LIFSZCXOKZIBAQ-HIFRSBDPSA-N 2 1 349.504 1.493 20 0 EDADMP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000996524407 702841071 /nfs/dbraw/zinc/84/10/71/702841071.db2.gz PSSMYOYFSXJJAD-CVEARBPZSA-N 2 1 337.508 1.602 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)cs1 ZINC000996608216 702911639 /nfs/dbraw/zinc/91/16/39/702911639.db2.gz CEKOJRPZYVKZGO-HNNXBMFYSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)cs1 ZINC000996608354 702912013 /nfs/dbraw/zinc/91/20/13/702912013.db2.gz HKLPSKLEDOBJDR-ZFWWWQNUSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)cs1 ZINC000996608354 702912014 /nfs/dbraw/zinc/91/20/14/702912014.db2.gz HKLPSKLEDOBJDR-ZFWWWQNUSA-N 2 1 336.505 1.730 20 0 EDADMP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996610852 702916090 /nfs/dbraw/zinc/91/60/90/702916090.db2.gz KXQNGYYXVYECMF-JKSUJKDBSA-N 2 1 346.475 1.369 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996614208 702919535 /nfs/dbraw/zinc/91/95/35/702919535.db2.gz ZQMMHTCWRUHTDP-CQSZACIVSA-N 2 1 333.461 1.675 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)s1 ZINC000996614307 702919643 /nfs/dbraw/zinc/91/96/43/702919643.db2.gz MRTWBGQSOUDBFN-CHWSQXEVSA-N 2 1 337.493 1.125 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)s1 ZINC000996614307 702919644 /nfs/dbraw/zinc/91/96/44/702919644.db2.gz MRTWBGQSOUDBFN-CHWSQXEVSA-N 2 1 337.493 1.125 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996614258 702919818 /nfs/dbraw/zinc/91/98/18/702919818.db2.gz MQQNTMZKGVOUNY-CVEARBPZSA-N 2 1 346.475 1.369 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)sn1 ZINC000996618541 702925096 /nfs/dbraw/zinc/92/50/96/702925096.db2.gz XPNZNMFHGXSLKC-DZGCQCFKSA-N 2 1 336.505 1.730 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996646991 702949101 /nfs/dbraw/zinc/94/91/01/702949101.db2.gz VXPSXYHBJVKECA-KRWDZBQOSA-N 2 1 333.480 1.338 20 0 EDADMP C[N@H+](CC(=O)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1)C1CCC1 ZINC000996667105 702963820 /nfs/dbraw/zinc/96/38/20/702963820.db2.gz XAFYRNYZMREYEP-UHFFFAOYSA-N 2 1 347.463 1.512 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1)C1CCC1 ZINC000996667105 702963822 /nfs/dbraw/zinc/96/38/22/702963822.db2.gz XAFYRNYZMREYEP-UHFFFAOYSA-N 2 1 347.463 1.512 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996667402 702964452 /nfs/dbraw/zinc/96/44/52/702964452.db2.gz BCBVRUNYFOUTRF-INIZCTEOSA-N 2 1 335.452 1.413 20 0 EDADMP C[NH+](C)C1(C(=O)N2CCC([NH2+]Cc3nnc(C4CC4)o3)CC2)CCC1 ZINC000996673251 702968676 /nfs/dbraw/zinc/96/86/76/702968676.db2.gz UOIBXQRGTFYPJD-UHFFFAOYSA-N 2 1 347.463 1.512 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996681188 702979824 /nfs/dbraw/zinc/97/98/24/702979824.db2.gz XLOUNTQNCMBOBS-DOTOQJQBSA-N 2 1 346.475 1.768 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996686941 702984321 /nfs/dbraw/zinc/98/43/21/702984321.db2.gz DLGMTZPLWFKAFE-AWEZNQCLSA-N 2 1 337.493 1.493 20 0 EDADMP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000996691161 702988535 /nfs/dbraw/zinc/98/85/35/702988535.db2.gz BFRKYWVFXAPJOE-DOMZBBRYSA-N 2 1 337.468 1.606 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000996720592 703012227 /nfs/dbraw/zinc/01/22/27/703012227.db2.gz DAQFFGLFXHVHOB-AWEZNQCLSA-N 2 1 335.452 1.197 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000996720592 703012228 /nfs/dbraw/zinc/01/22/28/703012228.db2.gz DAQFFGLFXHVHOB-AWEZNQCLSA-N 2 1 335.452 1.197 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000996803249 703093883 /nfs/dbraw/zinc/09/38/83/703093883.db2.gz UITSJHKVHWHASJ-HZPDHXFCSA-N 2 1 334.464 1.587 20 0 EDADMP CCOC1CC(C[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000996803577 703094035 /nfs/dbraw/zinc/09/40/35/703094035.db2.gz WUELPFNLULTWKL-UHFFFAOYSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000942597734 703112514 /nfs/dbraw/zinc/11/25/14/703112514.db2.gz NACJRKDVORXPEG-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000942597734 703112516 /nfs/dbraw/zinc/11/25/16/703112516.db2.gz NACJRKDVORXPEG-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccns2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598147 703113328 /nfs/dbraw/zinc/11/33/28/703113328.db2.gz RZDAFPOZUUMQKM-CZUORRHYSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000942598132 703113344 /nfs/dbraw/zinc/11/33/44/703113344.db2.gz RSUKPJPLXURPTA-SUMWQHHRSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC000996922923 703193763 /nfs/dbraw/zinc/19/37/63/703193763.db2.gz PCUIPNPHAISHKK-HOCLYGCPSA-N 2 1 333.480 1.231 20 0 EDADMP CC(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000996994749 703251435 /nfs/dbraw/zinc/25/14/35/703251435.db2.gz YNPPYLVAQYVDLE-WBVHZDCISA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000996994749 703251437 /nfs/dbraw/zinc/25/14/37/703251437.db2.gz YNPPYLVAQYVDLE-WBVHZDCISA-N 2 1 325.497 1.580 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000996994708 703251507 /nfs/dbraw/zinc/25/15/07/703251507.db2.gz ISBYBNABDDNLEE-HNNXBMFYSA-N 2 1 346.475 1.655 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([NH2+]C[C@@H]3C[C@]34CCOC4)CC2)C1 ZINC000996996918 703260472 /nfs/dbraw/zinc/26/04/72/703260472.db2.gz BSIGXCICCPUBIF-JXFKEZNVSA-N 2 1 349.519 1.726 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC000997004482 703261535 /nfs/dbraw/zinc/26/15/35/703261535.db2.gz DIZBZAFHDIVNMB-GDBMZVCRSA-N 2 1 345.491 1.768 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997005210 703262379 /nfs/dbraw/zinc/26/23/79/703262379.db2.gz DFNXZLFOYGLHMG-GDBMZVCRSA-N 2 1 348.495 1.137 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cn1 ZINC000997007975 703265557 /nfs/dbraw/zinc/26/55/57/703265557.db2.gz SKVRGQQFQIHEAT-AWEZNQCLSA-N 2 1 331.464 1.207 20 0 EDADMP Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)cn1 ZINC000997094036 703341682 /nfs/dbraw/zinc/34/16/82/703341682.db2.gz QVPXAGNDJHFDKY-QZTJIDSGSA-N 2 1 345.491 1.518 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](Cc2ccon2)CC1 ZINC000997098828 703343870 /nfs/dbraw/zinc/34/38/70/703343870.db2.gz WWPAPRSLHMTQMF-CKEIUWERSA-N 2 1 334.464 1.732 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2ccon2)CC1 ZINC000997098828 703343872 /nfs/dbraw/zinc/34/38/72/703343872.db2.gz WWPAPRSLHMTQMF-CKEIUWERSA-N 2 1 334.464 1.732 20 0 EDADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOC2CCC2)CC1 ZINC001032700670 706738443 /nfs/dbraw/zinc/73/84/43/706738443.db2.gz WKJYMKKDGVCNPQ-IRXDYDNUSA-N 2 1 335.492 1.573 20 0 EDADMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOC2CCC2)CC1 ZINC001032700670 706738447 /nfs/dbraw/zinc/73/84/47/706738447.db2.gz WKJYMKKDGVCNPQ-IRXDYDNUSA-N 2 1 335.492 1.573 20 0 EDADMP Cn1cc(C[NH+]2CC(CNC(=O)c3ccc(C[NH+](C)C)cc3)C2)cn1 ZINC001032055063 703427313 /nfs/dbraw/zinc/42/73/13/703427313.db2.gz OPMVZJJBNVCEAG-UHFFFAOYSA-N 2 1 341.459 1.344 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCOCC2)CC[N@H+]1C ZINC001032411816 703448975 /nfs/dbraw/zinc/44/89/75/703448975.db2.gz XDIGTKGLXKLMIP-XGXHKWSGSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC2CCOCC2)CC[NH+]1C ZINC001032411816 703448976 /nfs/dbraw/zinc/44/89/76/703448976.db2.gz XDIGTKGLXKLMIP-XGXHKWSGSA-N 2 1 349.519 1.819 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCOCC2)CC[NH+]1C ZINC001032411816 703448977 /nfs/dbraw/zinc/44/89/77/703448977.db2.gz XDIGTKGLXKLMIP-XGXHKWSGSA-N 2 1 349.519 1.819 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)no1 ZINC000997185825 703474889 /nfs/dbraw/zinc/47/48/89/703474889.db2.gz FRNWKNIMDFAYRN-LBPRGKRZSA-N 2 1 333.436 1.115 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC000997359192 703589872 /nfs/dbraw/zinc/58/98/72/703589872.db2.gz GNMZUYJPAZCDQG-OKILXGFUSA-N 2 1 334.464 1.936 20 0 EDADMP CCn1nncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000997367569 703601745 /nfs/dbraw/zinc/60/17/45/703601745.db2.gz KOQUGDHIVITMBO-KRWDZBQOSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+](C)C2CCC2)n1 ZINC001032448750 703624366 /nfs/dbraw/zinc/62/43/66/703624366.db2.gz VANFDDCTAPOANW-ROUUACIJSA-N 2 1 345.491 1.269 20 0 EDADMP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+](C)C2CCC2)n1 ZINC001032448750 703624367 /nfs/dbraw/zinc/62/43/67/703624367.db2.gz VANFDDCTAPOANW-ROUUACIJSA-N 2 1 345.491 1.269 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C2CCC2)n1 ZINC001032448750 703624368 /nfs/dbraw/zinc/62/43/68/703624368.db2.gz VANFDDCTAPOANW-ROUUACIJSA-N 2 1 345.491 1.269 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C2CCC2)n1 ZINC001032448750 703624369 /nfs/dbraw/zinc/62/43/69/703624369.db2.gz VANFDDCTAPOANW-ROUUACIJSA-N 2 1 345.491 1.269 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997419636 703669961 /nfs/dbraw/zinc/66/99/61/703669961.db2.gz BJFXCFZWJCMBBG-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997419636 703669963 /nfs/dbraw/zinc/66/99/63/703669963.db2.gz BJFXCFZWJCMBBG-GDBMZVCRSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000997611779 703911998 /nfs/dbraw/zinc/91/19/98/703911998.db2.gz HIGFFZDPXVXGBL-MAUKXSAKSA-N 2 1 345.491 1.768 20 0 EDADMP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)c1 ZINC000995550593 703954141 /nfs/dbraw/zinc/95/41/41/703954141.db2.gz JXEMXIDTZWQARN-DLBZAZTESA-N 2 1 330.476 1.811 20 0 EDADMP COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995552173 703958783 /nfs/dbraw/zinc/95/87/83/703958783.db2.gz PXUKJPAJWRKCQN-HZPDHXFCSA-N 2 1 346.475 1.511 20 0 EDADMP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995552315 703959636 /nfs/dbraw/zinc/95/96/36/703959636.db2.gz QFCHBPKFKDLOEA-NVXWUHKLSA-N 2 1 348.491 1.966 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995555527 703975507 /nfs/dbraw/zinc/97/55/07/703975507.db2.gz ZUHVHQKMSOMWRJ-HOTGVXAUSA-N 2 1 333.480 1.149 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC000999304006 706797842 /nfs/dbraw/zinc/79/78/42/706797842.db2.gz JRAJNPZCCONLKN-IAGOWNOFSA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC000999304006 706797844 /nfs/dbraw/zinc/79/78/44/706797844.db2.gz JRAJNPZCCONLKN-IAGOWNOFSA-N 2 1 345.491 1.740 20 0 EDADMP CCO[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)C[NH+](C)C ZINC000922754742 704315038 /nfs/dbraw/zinc/31/50/38/704315038.db2.gz TUQOGCOGGSRILB-AWEZNQCLSA-N 2 1 325.419 1.960 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccc(C)n2)C1 ZINC000999310405 706813222 /nfs/dbraw/zinc/81/32/22/706813222.db2.gz YDBBVDIXVISCFX-SJORKVTESA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccc(C)n2)C1 ZINC000999310405 706813225 /nfs/dbraw/zinc/81/32/25/706813225.db2.gz YDBBVDIXVISCFX-SJORKVTESA-N 2 1 345.491 1.740 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCO)CC1 ZINC001004426544 704411910 /nfs/dbraw/zinc/41/19/10/704411910.db2.gz BQPPHMIFTQLPAN-QZTJIDSGSA-N 2 1 337.508 1.555 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004426544 704411913 /nfs/dbraw/zinc/41/19/13/704411913.db2.gz BQPPHMIFTQLPAN-QZTJIDSGSA-N 2 1 337.508 1.555 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004426544 704411916 /nfs/dbraw/zinc/41/19/16/704411916.db2.gz BQPPHMIFTQLPAN-QZTJIDSGSA-N 2 1 337.508 1.555 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CC3=CCCCC3)C(C)(C)C2)C1 ZINC000995603353 704566649 /nfs/dbraw/zinc/56/66/49/704566649.db2.gz KKAMVFBZSCFOSP-IRXDYDNUSA-N 2 1 335.492 1.644 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CC3=CCCCC3)C(C)(C)C2)C1 ZINC000995603353 704566651 /nfs/dbraw/zinc/56/66/51/704566651.db2.gz KKAMVFBZSCFOSP-IRXDYDNUSA-N 2 1 335.492 1.644 20 0 EDADMP CC(C)[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997724254 704620423 /nfs/dbraw/zinc/62/04/23/704620423.db2.gz KKWFCSNPCBDTFI-RDJZCZTQSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997724254 704620425 /nfs/dbraw/zinc/62/04/25/704620425.db2.gz KKWFCSNPCBDTFI-RDJZCZTQSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997771467 704673122 /nfs/dbraw/zinc/67/31/22/704673122.db2.gz HTTIHFDTNROPGL-MSOLQXFVSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1nncn1C ZINC000997791898 704700333 /nfs/dbraw/zinc/70/03/33/704700333.db2.gz BDGYWHCVDLOYAE-SQWLQELKSA-N 2 1 348.495 1.045 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC000997793540 704706323 /nfs/dbraw/zinc/70/63/23/704706323.db2.gz QLMYMVVJGNLPSO-RDTXWAMCSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)no1 ZINC000997832069 704750468 /nfs/dbraw/zinc/75/04/68/704750468.db2.gz YEMZMRJYWFDPGW-WBMJQRKESA-N 2 1 349.479 1.607 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)cn1 ZINC000944919654 704771688 /nfs/dbraw/zinc/77/16/88/704771688.db2.gz PKLLSPUHNYZKBH-FUHWJXTLSA-N 2 1 347.507 1.368 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)co1 ZINC000997865236 704772459 /nfs/dbraw/zinc/77/24/59/704772459.db2.gz MOPWVIRMZXUGDX-KRWDZBQOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997865570 704772730 /nfs/dbraw/zinc/77/27/30/704772730.db2.gz FWWKBDHLUIDADU-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cscn2)CC1 ZINC000997865582 704772745 /nfs/dbraw/zinc/77/27/45/704772745.db2.gz FZKFUQUNRYRRFA-ZFWWWQNUSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cscn2)CC1 ZINC000997865582 704772747 /nfs/dbraw/zinc/77/27/47/704772747.db2.gz FZKFUQUNRYRRFA-ZFWWWQNUSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1oncc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997866630 704773427 /nfs/dbraw/zinc/77/34/27/704773427.db2.gz MGSIXUZSFKVARP-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944943686 704796161 /nfs/dbraw/zinc/79/61/61/704796161.db2.gz JLHSUJGRUFMNKE-PBHICJAKSA-N 2 1 333.480 1.151 20 0 EDADMP COc1ncccc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944943990 704796733 /nfs/dbraw/zinc/79/67/33/704796733.db2.gz KXUJKKAEBMLWPR-DOTOQJQBSA-N 2 1 346.475 1.513 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000998018471 705202139 /nfs/dbraw/zinc/20/21/39/705202139.db2.gz VJAQLWKMZJNZQA-HZPDHXFCSA-N 2 1 338.496 1.048 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC000998018471 705202140 /nfs/dbraw/zinc/20/21/40/705202140.db2.gz VJAQLWKMZJNZQA-HZPDHXFCSA-N 2 1 338.496 1.048 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CCC[NH+](CC(N)=O)CC1 ZINC000998018471 705202141 /nfs/dbraw/zinc/20/21/41/705202141.db2.gz VJAQLWKMZJNZQA-HZPDHXFCSA-N 2 1 338.496 1.048 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000998084075 705313636 /nfs/dbraw/zinc/31/36/36/705313636.db2.gz YZJLZNQMURNKNF-MAUKXSAKSA-N 2 1 330.476 1.608 20 0 EDADMP CCN(C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998108207 705357206 /nfs/dbraw/zinc/35/72/06/705357206.db2.gz DYAOEWGMFKAUJA-IRXDYDNUSA-N 2 1 348.491 1.449 20 0 EDADMP CCN(C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998108207 705357210 /nfs/dbraw/zinc/35/72/10/705357210.db2.gz DYAOEWGMFKAUJA-IRXDYDNUSA-N 2 1 348.491 1.449 20 0 EDADMP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C)C1CCC1 ZINC001032610982 705581131 /nfs/dbraw/zinc/58/11/31/705581131.db2.gz BILKGPVMGXAQLJ-WNRNVDISSA-N 2 1 337.508 1.673 20 0 EDADMP Cc1nnsc1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998267375 705642272 /nfs/dbraw/zinc/64/22/72/705642272.db2.gz XCENHQZTUFXHBH-AWEZNQCLSA-N 2 1 337.493 1.126 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000998284363 705678980 /nfs/dbraw/zinc/67/89/80/705678980.db2.gz BHINZMDQKUHSJH-QGZVFWFLSA-N 2 1 345.491 1.679 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(F)(F)C1 ZINC001032627522 705730880 /nfs/dbraw/zinc/73/08/80/705730880.db2.gz ZJVQSGHTTKOZNH-QEJZJMRPSA-N 2 1 327.419 1.801 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(F)(F)C1 ZINC001032627522 705730882 /nfs/dbraw/zinc/73/08/82/705730882.db2.gz ZJVQSGHTTKOZNH-QEJZJMRPSA-N 2 1 327.419 1.801 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(F)(F)C1 ZINC001032627522 705730883 /nfs/dbraw/zinc/73/08/83/705730883.db2.gz ZJVQSGHTTKOZNH-QEJZJMRPSA-N 2 1 327.419 1.801 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCOCC1)[NH+](C)C ZINC001032634694 705910566 /nfs/dbraw/zinc/91/05/66/705910566.db2.gz RHKCIIMBDLLKKM-BZSNNMDCSA-N 2 1 337.508 1.819 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000998548356 705984099 /nfs/dbraw/zinc/98/40/99/705984099.db2.gz GZXKFGDPOCTUNY-ABHNRTSZSA-N 2 1 331.460 1.352 20 0 EDADMP COc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998718991 706150697 /nfs/dbraw/zinc/15/06/97/706150697.db2.gz DPSAWHCLEFSNKY-HZPDHXFCSA-N 2 1 332.448 1.265 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)co1 ZINC000998764738 706203809 /nfs/dbraw/zinc/20/38/09/706203809.db2.gz UMJFRBFCCJTWFC-PREGVCBESA-N 2 1 334.464 1.935 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)co1 ZINC000998764738 706203811 /nfs/dbraw/zinc/20/38/11/706203811.db2.gz UMJFRBFCCJTWFC-PREGVCBESA-N 2 1 334.464 1.935 20 0 EDADMP CC(C)n1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC000998797448 706244556 /nfs/dbraw/zinc/24/45/56/706244556.db2.gz VJDBQFIPQHXSGF-RKHAHWSXSA-N 2 1 348.495 1.278 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(F)cc3)C2)C1 ZINC000998812410 706255669 /nfs/dbraw/zinc/25/56/69/706255669.db2.gz OQGXYHROVGXDAO-IAGOWNOFSA-N 2 1 335.423 1.237 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(F)cc3)C2)C1 ZINC000998812410 706255672 /nfs/dbraw/zinc/25/56/72/706255672.db2.gz OQGXYHROVGXDAO-IAGOWNOFSA-N 2 1 335.423 1.237 20 0 EDADMP Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998813599 706256716 /nfs/dbraw/zinc/25/67/16/706256716.db2.gz WKAZJYKNYIEZIU-ROUUACIJSA-N 2 1 331.460 1.406 20 0 EDADMP Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998813599 706256718 /nfs/dbraw/zinc/25/67/18/706256718.db2.gz WKAZJYKNYIEZIU-ROUUACIJSA-N 2 1 331.460 1.406 20 0 EDADMP CCc1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998822597 706269451 /nfs/dbraw/zinc/26/94/51/706269451.db2.gz GVSMFBJKRTYHKK-RBUKOAKNSA-N 2 1 345.487 1.660 20 0 EDADMP CCc1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998822597 706269455 /nfs/dbraw/zinc/26/94/55/706269455.db2.gz GVSMFBJKRTYHKK-RBUKOAKNSA-N 2 1 345.487 1.660 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1F ZINC000998825781 706272734 /nfs/dbraw/zinc/27/27/34/706272734.db2.gz NFUKOTOVDOIFKR-SJLPKXTDSA-N 2 1 349.450 1.545 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1F ZINC000998825781 706272737 /nfs/dbraw/zinc/27/27/37/706272737.db2.gz NFUKOTOVDOIFKR-SJLPKXTDSA-N 2 1 349.450 1.545 20 0 EDADMP Cc1oncc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946517186 706520459 /nfs/dbraw/zinc/52/04/59/706520459.db2.gz AZGLRVZWWLWSLU-SOLBZPMBSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1oncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517186 706520462 /nfs/dbraw/zinc/52/04/62/706520462.db2.gz AZGLRVZWWLWSLU-SOLBZPMBSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1oncc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517186 706520464 /nfs/dbraw/zinc/52/04/64/706520464.db2.gz AZGLRVZWWLWSLU-SOLBZPMBSA-N 2 1 346.475 1.748 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]CCc2scnc2C)C1 ZINC000999123827 706548296 /nfs/dbraw/zinc/54/82/96/706548296.db2.gz QJKDWTJOIDHSNB-UHFFFAOYSA-N 2 1 347.488 1.778 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cnsn2)C1 ZINC000999145040 706558606 /nfs/dbraw/zinc/55/86/06/706558606.db2.gz OWCUJHLJWUVEEW-DZGCQCFKSA-N 2 1 337.493 1.492 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nn1C ZINC000999145963 706559615 /nfs/dbraw/zinc/55/96/15/706559615.db2.gz TZOINRJFVXTOQL-SJLPKXTDSA-N 2 1 347.507 1.682 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999146885 706560451 /nfs/dbraw/zinc/56/04/51/706560451.db2.gz YTGIOPFLFCVBEW-HOCLYGCPSA-N 2 1 335.452 1.331 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999146885 706560454 /nfs/dbraw/zinc/56/04/54/706560454.db2.gz YTGIOPFLFCVBEW-HOCLYGCPSA-N 2 1 335.452 1.331 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000999354559 706843555 /nfs/dbraw/zinc/84/35/55/706843555.db2.gz QJBHZKFWIVEOBR-SJORKVTESA-N 2 1 348.495 1.122 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)oc1C ZINC000999349174 706861087 /nfs/dbraw/zinc/86/10/87/706861087.db2.gz RCDRMTXFIYSDOO-HNNXBMFYSA-N 2 1 334.464 1.856 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cncn3C)C2)C1 ZINC000999349204 706861351 /nfs/dbraw/zinc/86/13/51/706861351.db2.gz ROJPLQVCYIQRMC-SJORKVTESA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999352968 706866196 /nfs/dbraw/zinc/86/61/96/706866196.db2.gz LIUQKPCEJGSQLA-IRXDYDNUSA-N 2 1 345.491 1.820 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999352968 706866198 /nfs/dbraw/zinc/86/61/98/706866198.db2.gz LIUQKPCEJGSQLA-IRXDYDNUSA-N 2 1 345.491 1.820 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000999398873 706893316 /nfs/dbraw/zinc/89/33/16/706893316.db2.gz ASZMNZMTXGZBPH-UQPPLGOBSA-N 2 1 333.480 1.026 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)o1 ZINC000999434400 706941599 /nfs/dbraw/zinc/94/15/99/706941599.db2.gz MWOXSZMWFVLUHD-YOEHRIQHSA-N 2 1 336.480 1.904 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999575581 707082261 /nfs/dbraw/zinc/08/22/61/707082261.db2.gz OYMJGMZHTSJDAB-IAGOWNOFSA-N 2 1 345.491 1.678 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999575581 707082263 /nfs/dbraw/zinc/08/22/63/707082263.db2.gz OYMJGMZHTSJDAB-IAGOWNOFSA-N 2 1 345.491 1.678 20 0 EDADMP CCc1noc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000999697778 707223340 /nfs/dbraw/zinc/22/33/40/707223340.db2.gz LXXHMKLPRBSQFO-IYXRBSQSSA-N 2 1 347.463 1.368 20 0 EDADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779037 707235861 /nfs/dbraw/zinc/23/58/61/707235861.db2.gz DPBSOEDSFHSIRD-XLAORIBOSA-N 2 1 337.508 1.534 20 0 EDADMP CO[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779037 707235862 /nfs/dbraw/zinc/23/58/62/707235862.db2.gz DPBSOEDSFHSIRD-XLAORIBOSA-N 2 1 337.508 1.534 20 0 EDADMP CO[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779037 707235866 /nfs/dbraw/zinc/23/58/66/707235866.db2.gz DPBSOEDSFHSIRD-XLAORIBOSA-N 2 1 337.508 1.534 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2cccnc2C)C1 ZINC000999715480 707253297 /nfs/dbraw/zinc/25/32/97/707253297.db2.gz VQPJUWIIVPVASC-KRWDZBQOSA-N 2 1 327.432 1.676 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC4CC4)C[C@H]3CC2)C1 ZINC000946731321 707267926 /nfs/dbraw/zinc/26/79/26/707267926.db2.gz LTQLQQVYTPKDHV-CEXWTWQISA-N 2 1 349.519 1.676 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC4CC4)C[C@H]3CC2)C1 ZINC000946731321 707267929 /nfs/dbraw/zinc/26/79/29/707267929.db2.gz LTQLQQVYTPKDHV-CEXWTWQISA-N 2 1 349.519 1.676 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC4CC4)C[C@H]3CC2)C1 ZINC000946731321 707267932 /nfs/dbraw/zinc/26/79/32/707267932.db2.gz LTQLQQVYTPKDHV-CEXWTWQISA-N 2 1 349.519 1.676 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC4CC4)C[C@H]3CC2)C1 ZINC000946731321 707267934 /nfs/dbraw/zinc/26/79/34/707267934.db2.gz LTQLQQVYTPKDHV-CEXWTWQISA-N 2 1 349.519 1.676 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3=CCCCC3)C2)O1 ZINC001033183635 707360720 /nfs/dbraw/zinc/36/07/20/707360720.db2.gz CUVZTENGKYDZSB-BPQIPLTHSA-N 2 1 335.492 1.739 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3=CCCCC3)C2)O1 ZINC001033183635 707360723 /nfs/dbraw/zinc/36/07/23/707360723.db2.gz CUVZTENGKYDZSB-BPQIPLTHSA-N 2 1 335.492 1.739 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC3=CCCCC3)C2)O1 ZINC001033183635 707360726 /nfs/dbraw/zinc/36/07/26/707360726.db2.gz CUVZTENGKYDZSB-BPQIPLTHSA-N 2 1 335.492 1.739 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3=CCCCC3)C2)O1 ZINC001033183635 707360729 /nfs/dbraw/zinc/36/07/29/707360729.db2.gz CUVZTENGKYDZSB-BPQIPLTHSA-N 2 1 335.492 1.739 20 0 EDADMP CCCCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000999838891 707410957 /nfs/dbraw/zinc/41/09/57/707410957.db2.gz YKNCVOXHYLJJCB-WLYUNCDWSA-N 2 1 349.479 1.443 20 0 EDADMP CCCCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999838891 707410959 /nfs/dbraw/zinc/41/09/59/707410959.db2.gz YKNCVOXHYLJJCB-WLYUNCDWSA-N 2 1 349.479 1.443 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)s1 ZINC001033199014 707465059 /nfs/dbraw/zinc/46/50/59/707465059.db2.gz OZSKAJDIRBGJJF-GOEBONIOSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)s1 ZINC001033199014 707465062 /nfs/dbraw/zinc/46/50/62/707465062.db2.gz OZSKAJDIRBGJJF-GOEBONIOSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)s1 ZINC001033199014 707465067 /nfs/dbraw/zinc/46/50/67/707465067.db2.gz OZSKAJDIRBGJJF-GOEBONIOSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)s1 ZINC001033199014 707465071 /nfs/dbraw/zinc/46/50/71/707465071.db2.gz OZSKAJDIRBGJJF-GOEBONIOSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2cnc(C)nc2)C1 ZINC000999836051 707470664 /nfs/dbraw/zinc/47/06/64/707470664.db2.gz IILIIKQRTLTNKJ-UHFFFAOYSA-N 2 1 328.420 1.069 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CC3)CC2)C1 ZINC000948705526 707472934 /nfs/dbraw/zinc/47/29/34/707472934.db2.gz ICXSNYUMGXHFGC-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CC3)CC2)C1 ZINC000948705526 707472937 /nfs/dbraw/zinc/47/29/37/707472937.db2.gz ICXSNYUMGXHFGC-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](CC3CC3)CC2)C1 ZINC000948705526 707472941 /nfs/dbraw/zinc/47/29/41/707472941.db2.gz ICXSNYUMGXHFGC-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC3CC3)CC2)C1 ZINC000948705526 707472943 /nfs/dbraw/zinc/47/29/43/707472943.db2.gz ICXSNYUMGXHFGC-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999876844 707524998 /nfs/dbraw/zinc/52/49/98/707524998.db2.gz UMBKPJKFMJFNMD-DQPZFDDXSA-N 2 1 333.480 1.374 20 0 EDADMP O=C([C@@H]1CCC[C@@H]2CCC[NH+]21)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946819172 707584964 /nfs/dbraw/zinc/58/49/64/707584964.db2.gz VPXSXENEOXYKHM-XDNAFOTISA-N 2 1 335.492 1.166 20 0 EDADMP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946819172 707584967 /nfs/dbraw/zinc/58/49/67/707584967.db2.gz VPXSXENEOXYKHM-XDNAFOTISA-N 2 1 335.492 1.166 20 0 EDADMP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946819172 707584971 /nfs/dbraw/zinc/58/49/71/707584971.db2.gz VPXSXENEOXYKHM-XDNAFOTISA-N 2 1 335.492 1.166 20 0 EDADMP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365154 707659524 /nfs/dbraw/zinc/65/95/24/707659524.db2.gz LWDGZTMALFEBPB-QZTJIDSGSA-N 2 1 337.508 1.963 20 0 EDADMP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365154 707659527 /nfs/dbraw/zinc/65/95/27/707659527.db2.gz LWDGZTMALFEBPB-QZTJIDSGSA-N 2 1 337.508 1.963 20 0 EDADMP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365154 707659529 /nfs/dbraw/zinc/65/95/29/707659529.db2.gz LWDGZTMALFEBPB-QZTJIDSGSA-N 2 1 337.508 1.963 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995577 707674263 /nfs/dbraw/zinc/67/42/63/707674263.db2.gz GZHRCVNDSVLLMT-CVEARBPZSA-N 2 1 334.468 1.034 20 0 EDADMP CC(C)[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999995577 707674267 /nfs/dbraw/zinc/67/42/67/707674267.db2.gz GZHRCVNDSVLLMT-CVEARBPZSA-N 2 1 334.468 1.034 20 0 EDADMP CC(C)[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C)nn2)C1 ZINC000999995577 707674271 /nfs/dbraw/zinc/67/42/71/707674271.db2.gz GZHRCVNDSVLLMT-CVEARBPZSA-N 2 1 334.468 1.034 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](CC3CC3)C2)nn1 ZINC000999999105 707682584 /nfs/dbraw/zinc/68/25/84/707682584.db2.gz WTTYZGSHZHMNQW-IRXDYDNUSA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CC3CC3)C2)nn1 ZINC000999999105 707682586 /nfs/dbraw/zinc/68/25/86/707682586.db2.gz WTTYZGSHZHMNQW-IRXDYDNUSA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CC3CC3)C2)nn1 ZINC000999999105 707682589 /nfs/dbraw/zinc/68/25/89/707682589.db2.gz WTTYZGSHZHMNQW-IRXDYDNUSA-N 2 1 346.479 1.035 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001032731670 707733620 /nfs/dbraw/zinc/73/36/20/707733620.db2.gz NYOSTFWNWDKGSX-JYJNAYRXSA-N 2 1 348.516 1.621 20 0 EDADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032731670 707733621 /nfs/dbraw/zinc/73/36/21/707733621.db2.gz NYOSTFWNWDKGSX-JYJNAYRXSA-N 2 1 348.516 1.621 20 0 EDADMP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032731670 707733624 /nfs/dbraw/zinc/73/36/24/707733624.db2.gz NYOSTFWNWDKGSX-JYJNAYRXSA-N 2 1 348.516 1.621 20 0 EDADMP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)c1 ZINC001032734042 707743541 /nfs/dbraw/zinc/74/35/41/707743541.db2.gz UGEBHIAZSSIDTI-IRXDYDNUSA-N 2 1 341.455 1.576 20 0 EDADMP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)c1 ZINC001032734042 707743545 /nfs/dbraw/zinc/74/35/45/707743545.db2.gz UGEBHIAZSSIDTI-IRXDYDNUSA-N 2 1 341.455 1.576 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033217751 707744837 /nfs/dbraw/zinc/74/48/37/707744837.db2.gz NAPBEONZMDAJJM-MSOLQXFVSA-N 2 1 347.507 1.573 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033217751 707744838 /nfs/dbraw/zinc/74/48/38/707744838.db2.gz NAPBEONZMDAJJM-MSOLQXFVSA-N 2 1 347.507 1.573 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033217751 707744839 /nfs/dbraw/zinc/74/48/39/707744839.db2.gz NAPBEONZMDAJJM-MSOLQXFVSA-N 2 1 347.507 1.573 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033217751 707744840 /nfs/dbraw/zinc/74/48/40/707744840.db2.gz NAPBEONZMDAJJM-MSOLQXFVSA-N 2 1 347.507 1.573 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)n1 ZINC001033419335 707777826 /nfs/dbraw/zinc/77/78/26/707777826.db2.gz IMBLTKBPTUSYMV-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)n1 ZINC001033419335 707777830 /nfs/dbraw/zinc/77/78/30/707777830.db2.gz IMBLTKBPTUSYMV-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001033419335 707777833 /nfs/dbraw/zinc/77/78/33/707777833.db2.gz IMBLTKBPTUSYMV-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001033419335 707777835 /nfs/dbraw/zinc/77/78/35/707777835.db2.gz IMBLTKBPTUSYMV-DOTOQJQBSA-N 2 1 346.475 1.465 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)s1 ZINC001033414340 707786311 /nfs/dbraw/zinc/78/63/11/707786311.db2.gz ASNLOUDRNOMEHD-HIFRSBDPSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)s1 ZINC001033414340 707786314 /nfs/dbraw/zinc/78/63/14/707786314.db2.gz ASNLOUDRNOMEHD-HIFRSBDPSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)s1 ZINC001033414340 707786316 /nfs/dbraw/zinc/78/63/16/707786316.db2.gz ASNLOUDRNOMEHD-HIFRSBDPSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)s1 ZINC001033414340 707786319 /nfs/dbraw/zinc/78/63/19/707786319.db2.gz ASNLOUDRNOMEHD-HIFRSBDPSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033417059 707798715 /nfs/dbraw/zinc/79/87/15/707798715.db2.gz UXJCNVWJUMJGEC-BBRMVZONSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001033417059 707798720 /nfs/dbraw/zinc/79/87/20/707798720.db2.gz UXJCNVWJUMJGEC-BBRMVZONSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033417059 707798726 /nfs/dbraw/zinc/79/87/26/707798726.db2.gz UXJCNVWJUMJGEC-BBRMVZONSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033417059 707798730 /nfs/dbraw/zinc/79/87/30/707798730.db2.gz UXJCNVWJUMJGEC-BBRMVZONSA-N 2 1 334.464 1.808 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001000185151 707823896 /nfs/dbraw/zinc/82/38/96/707823896.db2.gz PLQWTWVSCMWYLY-WBVHZDCISA-N 2 1 346.475 1.655 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001033420036 707829806 /nfs/dbraw/zinc/82/98/06/707829806.db2.gz LSPLTMWKTWILMF-QAPCUYQASA-N 2 1 347.507 1.374 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)n1 ZINC001033420036 707829810 /nfs/dbraw/zinc/82/98/10/707829810.db2.gz LSPLTMWKTWILMF-QAPCUYQASA-N 2 1 347.507 1.374 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)n1 ZINC001033420036 707829811 /nfs/dbraw/zinc/82/98/11/707829811.db2.gz LSPLTMWKTWILMF-QAPCUYQASA-N 2 1 347.507 1.374 20 0 EDADMP Cc1csc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001000193799 707830228 /nfs/dbraw/zinc/83/02/28/707830228.db2.gz SEEQRBGTPYXZTJ-HIFRSBDPSA-N 2 1 336.505 1.874 20 0 EDADMP C[C@@H]([NH2+]Cc1ncccn1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004993957 707877983 /nfs/dbraw/zinc/87/79/83/707877983.db2.gz SZWOBGQQILRMFT-HZPDHXFCSA-N 2 1 331.464 1.432 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CCOCC1 ZINC001004994552 707880751 /nfs/dbraw/zinc/88/07/51/707880751.db2.gz VQXXITULPKBDEK-QAPCUYQASA-N 2 1 348.491 1.977 20 0 EDADMP C[C@H](F)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946535862 707888465 /nfs/dbraw/zinc/88/84/65/707888465.db2.gz BTLHOHPMUVPHKC-MWDXBVQZSA-N 2 1 341.471 1.236 20 0 EDADMP C[C@H](F)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946535862 707888467 /nfs/dbraw/zinc/88/84/67/707888467.db2.gz BTLHOHPMUVPHKC-MWDXBVQZSA-N 2 1 341.471 1.236 20 0 EDADMP C[C@H](F)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946535862 707888468 /nfs/dbraw/zinc/88/84/68/707888468.db2.gz BTLHOHPMUVPHKC-MWDXBVQZSA-N 2 1 341.471 1.236 20 0 EDADMP C[C@H](F)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946535862 707888470 /nfs/dbraw/zinc/88/84/70/707888470.db2.gz BTLHOHPMUVPHKC-MWDXBVQZSA-N 2 1 341.471 1.236 20 0 EDADMP CN(C)C(=O)c1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000921756390 707983808 /nfs/dbraw/zinc/98/38/08/707983808.db2.gz XLEVTPQSRPQHPT-QGZVFWFLSA-N 2 1 345.487 1.979 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001000520346 708039338 /nfs/dbraw/zinc/03/93/38/708039338.db2.gz DCFIDQKJNOHJGQ-KRWDZBQOSA-N 2 1 331.464 1.071 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001000520346 708039341 /nfs/dbraw/zinc/03/93/41/708039341.db2.gz DCFIDQKJNOHJGQ-KRWDZBQOSA-N 2 1 331.464 1.071 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001000520346 708039343 /nfs/dbraw/zinc/03/93/43/708039343.db2.gz DCFIDQKJNOHJGQ-KRWDZBQOSA-N 2 1 331.464 1.071 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001001008414 708082216 /nfs/dbraw/zinc/08/22/16/708082216.db2.gz PVDCRHJENMDALH-ZWKOTPCHSA-N 2 1 347.507 1.418 20 0 EDADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCCO1 ZINC001032802326 708086176 /nfs/dbraw/zinc/08/61/76/708086176.db2.gz UYEPCJVAVJWVHX-BZSNNMDCSA-N 2 1 335.492 1.717 20 0 EDADMP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001001475331 708156787 /nfs/dbraw/zinc/15/67/87/708156787.db2.gz ADYQISLIHHKEIS-LJQANCHMSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1ncsc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033583332 708267373 /nfs/dbraw/zinc/26/73/73/708267373.db2.gz SYZNPZUGBHMBCQ-HUUCEWRRSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033583332 708267374 /nfs/dbraw/zinc/26/73/74/708267374.db2.gz SYZNPZUGBHMBCQ-HUUCEWRRSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncsc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033583332 708267375 /nfs/dbraw/zinc/26/73/75/708267375.db2.gz SYZNPZUGBHMBCQ-HUUCEWRRSA-N 2 1 336.505 1.826 20 0 EDADMP CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001757559 708281274 /nfs/dbraw/zinc/28/12/74/708281274.db2.gz VLFBQAWVISHMJJ-WMZOPIPTSA-N 2 1 339.524 1.970 20 0 EDADMP COc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594475 708296162 /nfs/dbraw/zinc/29/61/62/708296162.db2.gz QJEIKCIJWLMGMI-MRXNPFEDSA-N 2 1 344.459 1.219 20 0 EDADMP COc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594475 708296165 /nfs/dbraw/zinc/29/61/65/708296165.db2.gz QJEIKCIJWLMGMI-MRXNPFEDSA-N 2 1 344.459 1.219 20 0 EDADMP CCOC1CC(C[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001033596377 708301437 /nfs/dbraw/zinc/30/14/37/708301437.db2.gz ZFWCQYRQGYFAIB-CGZBRXJRSA-N 2 1 335.492 1.430 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033583649 708308059 /nfs/dbraw/zinc/30/80/59/708308059.db2.gz XGIJXQPWGRITJS-ROUUACIJSA-N 2 1 347.507 1.374 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001033583649 708308061 /nfs/dbraw/zinc/30/80/61/708308061.db2.gz XGIJXQPWGRITJS-ROUUACIJSA-N 2 1 347.507 1.374 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033583649 708308065 /nfs/dbraw/zinc/30/80/65/708308065.db2.gz XGIJXQPWGRITJS-ROUUACIJSA-N 2 1 347.507 1.374 20 0 EDADMP Cc1nsc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656788 708426781 /nfs/dbraw/zinc/42/67/81/708426781.db2.gz FIGUMRQZRXCXEW-HNNXBMFYSA-N 2 1 336.505 1.888 20 0 EDADMP Cc1nsc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656788 708426784 /nfs/dbraw/zinc/42/67/84/708426784.db2.gz FIGUMRQZRXCXEW-HNNXBMFYSA-N 2 1 336.505 1.888 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001033665104 708447788 /nfs/dbraw/zinc/44/77/88/708447788.db2.gz MBCPKFMDURYHED-INIZCTEOSA-N 2 1 327.432 1.628 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC001033665104 708447789 /nfs/dbraw/zinc/44/77/89/708447789.db2.gz MBCPKFMDURYHED-INIZCTEOSA-N 2 1 327.432 1.628 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033658707 708469904 /nfs/dbraw/zinc/46/99/04/708469904.db2.gz BIQSGQWPDIRTSC-SJORKVTESA-N 2 1 331.460 1.680 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001033658707 708469906 /nfs/dbraw/zinc/46/99/06/708469906.db2.gz BIQSGQWPDIRTSC-SJORKVTESA-N 2 1 331.460 1.680 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033658707 708469907 /nfs/dbraw/zinc/46/99/07/708469907.db2.gz BIQSGQWPDIRTSC-SJORKVTESA-N 2 1 331.460 1.680 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001033661812 708475731 /nfs/dbraw/zinc/47/57/31/708475731.db2.gz MOGMWPPEWJXJEM-DLBZAZTESA-N 2 1 347.507 1.623 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001033661812 708475733 /nfs/dbraw/zinc/47/57/33/708475733.db2.gz MOGMWPPEWJXJEM-DLBZAZTESA-N 2 1 347.507 1.623 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001033661812 708475736 /nfs/dbraw/zinc/47/57/36/708475736.db2.gz MOGMWPPEWJXJEM-DLBZAZTESA-N 2 1 347.507 1.623 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001033661812 708475739 /nfs/dbraw/zinc/47/57/39/708475739.db2.gz MOGMWPPEWJXJEM-DLBZAZTESA-N 2 1 347.507 1.623 20 0 EDADMP CCc1nnc([C@H](C)[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002127448 708643171 /nfs/dbraw/zinc/64/31/71/708643171.db2.gz RKCLBMXEYDVOGN-ZFWWWQNUSA-N 2 1 349.479 1.473 20 0 EDADMP CCc1nnc([C@H](C)[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002127448 708643174 /nfs/dbraw/zinc/64/31/74/708643174.db2.gz RKCLBMXEYDVOGN-ZFWWWQNUSA-N 2 1 349.479 1.473 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001033830239 708851557 /nfs/dbraw/zinc/85/15/57/708851557.db2.gz GFPCPNCMSLXDCQ-ROUUACIJSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001033830239 708851559 /nfs/dbraw/zinc/85/15/59/708851559.db2.gz GFPCPNCMSLXDCQ-ROUUACIJSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CCN(Cc2ccnn2C)C1 ZINC001033827939 708878301 /nfs/dbraw/zinc/87/83/01/708878301.db2.gz KMIGFNLFFJEMEL-ZWKOTPCHSA-N 2 1 347.507 1.716 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](C[C@H]3CCCCO3)CC2)CC[N@H+]1C ZINC001005408290 708915835 /nfs/dbraw/zinc/91/58/35/708915835.db2.gz WNKDMBVTUFTIIJ-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ccnn3C)CC2)CC[N@@H+]1C ZINC001005414093 708930884 /nfs/dbraw/zinc/93/08/84/708930884.db2.gz YYVGJKIUZQJHHO-RHSMWYFYSA-N 2 1 333.480 1.183 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ccnn3C)CC2)CC[N@H+]1C ZINC001005414093 708930887 /nfs/dbraw/zinc/93/08/87/708930887.db2.gz YYVGJKIUZQJHHO-RHSMWYFYSA-N 2 1 333.480 1.183 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC[NH+](CCC2CC2)CC1 ZINC001005423895 708941713 /nfs/dbraw/zinc/94/17/13/708941713.db2.gz GOZTUYFMTICTPY-QZTJIDSGSA-N 2 1 335.492 1.573 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2conc2C)C1 ZINC001033941608 709148422 /nfs/dbraw/zinc/14/84/22/709148422.db2.gz QUCCKKCRIBLKHZ-KRWDZBQOSA-N 2 1 334.464 1.748 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2conc2C)C1 ZINC001033941608 709148425 /nfs/dbraw/zinc/14/84/25/709148425.db2.gz QUCCKKCRIBLKHZ-KRWDZBQOSA-N 2 1 334.464 1.748 20 0 EDADMP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033983424 709192332 /nfs/dbraw/zinc/19/23/32/709192332.db2.gz QCSBXISZDAGVKZ-QGZVFWFLSA-N 2 1 335.496 1.781 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005493480 709215751 /nfs/dbraw/zinc/21/57/51/709215751.db2.gz RZPOZQOMWUOQRR-IAGOWNOFSA-N 2 1 339.524 1.922 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001034040673 709270085 /nfs/dbraw/zinc/27/00/85/709270085.db2.gz VVIZAIDDOVAHLQ-HOTGVXAUSA-N 2 1 346.475 1.927 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001034040673 709270088 /nfs/dbraw/zinc/27/00/88/709270088.db2.gz VVIZAIDDOVAHLQ-HOTGVXAUSA-N 2 1 346.475 1.927 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001034040673 709270090 /nfs/dbraw/zinc/27/00/90/709270090.db2.gz VVIZAIDDOVAHLQ-HOTGVXAUSA-N 2 1 346.475 1.927 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001034040673 709270091 /nfs/dbraw/zinc/27/00/91/709270091.db2.gz VVIZAIDDOVAHLQ-HOTGVXAUSA-N 2 1 346.475 1.927 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCc2cnn(CC)c2)C1 ZINC001034037726 709270142 /nfs/dbraw/zinc/27/01/42/709270142.db2.gz DWYPMUIRLXGSPB-ROUUACIJSA-N 2 1 347.507 1.320 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001034037726 709270144 /nfs/dbraw/zinc/27/01/44/709270144.db2.gz DWYPMUIRLXGSPB-ROUUACIJSA-N 2 1 347.507 1.320 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001034037726 709270145 /nfs/dbraw/zinc/27/01/45/709270145.db2.gz DWYPMUIRLXGSPB-ROUUACIJSA-N 2 1 347.507 1.320 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]3CC2)cc1 ZINC000946824416 709344154 /nfs/dbraw/zinc/34/41/54/709344154.db2.gz MAQZEKSJSBNBAE-KDURUIRLSA-N 2 1 345.487 1.525 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC001002790911 709398716 /nfs/dbraw/zinc/39/87/16/709398716.db2.gz CAWFDFKDZMFTIQ-CRAIPNDOSA-N 2 1 345.491 1.991 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC001002790911 709398718 /nfs/dbraw/zinc/39/87/18/709398718.db2.gz CAWFDFKDZMFTIQ-CRAIPNDOSA-N 2 1 345.491 1.991 20 0 EDADMP Cc1nonc1CN1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002793640 709401600 /nfs/dbraw/zinc/40/16/00/709401600.db2.gz YJMWSWKJQUAGFS-MRXNPFEDSA-N 2 1 335.452 1.331 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C[C@H]2COc3ccccc3O2)C1 ZINC001032828525 709452698 /nfs/dbraw/zinc/45/26/98/709452698.db2.gz FKONBQRODBFKDG-HRCADAONSA-N 2 1 345.443 1.111 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C[C@H]2COc3ccccc3O2)C1 ZINC001032828525 709452700 /nfs/dbraw/zinc/45/27/00/709452700.db2.gz FKONBQRODBFKDG-HRCADAONSA-N 2 1 345.443 1.111 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C[C@H]2COc3ccccc3O2)C1 ZINC001032828525 709452702 /nfs/dbraw/zinc/45/27/02/709452702.db2.gz FKONBQRODBFKDG-HRCADAONSA-N 2 1 345.443 1.111 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C[C@H]2COc3ccccc3O2)C1 ZINC001032828525 709452705 /nfs/dbraw/zinc/45/27/05/709452705.db2.gz FKONBQRODBFKDG-HRCADAONSA-N 2 1 345.443 1.111 20 0 EDADMP Cc1cc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061180794 709479103 /nfs/dbraw/zinc/47/91/03/709479103.db2.gz UGFBHKBTHPZJSF-CVEARBPZSA-N 2 1 331.464 1.615 20 0 EDADMP Cc1cc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061180794 709479106 /nfs/dbraw/zinc/47/91/06/709479106.db2.gz UGFBHKBTHPZJSF-CVEARBPZSA-N 2 1 331.464 1.615 20 0 EDADMP O=C(NC1CC[NH+](CC2=CCCCC2)CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001002875755 709483004 /nfs/dbraw/zinc/48/30/04/709483004.db2.gz QOIVQTGVNPXEOD-RTBURBONSA-N 2 1 347.503 1.931 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cncn3C)C2)CC[N@@H+]1C ZINC001034216236 709571630 /nfs/dbraw/zinc/57/16/30/709571630.db2.gz FWHJUPSSPGZPAC-RYQLBKOJSA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cncn3C)C2)CC[N@H+]1C ZINC001034216236 709571631 /nfs/dbraw/zinc/57/16/31/709571631.db2.gz FWHJUPSSPGZPAC-RYQLBKOJSA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cncn3C)C2)CC[NH+]1C ZINC001034216236 709571634 /nfs/dbraw/zinc/57/16/34/709571634.db2.gz FWHJUPSSPGZPAC-RYQLBKOJSA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cncn3C)C2)CC[NH+]1C ZINC001034216236 709571636 /nfs/dbraw/zinc/57/16/36/709571636.db2.gz FWHJUPSSPGZPAC-RYQLBKOJSA-N 2 1 347.507 1.621 20 0 EDADMP O[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000702545512 709652631 /nfs/dbraw/zinc/65/26/31/709652631.db2.gz RIELVZDEYMHSTC-WOJBJXKFSA-N 2 1 326.440 1.947 20 0 EDADMP O[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000702545512 709652633 /nfs/dbraw/zinc/65/26/33/709652633.db2.gz RIELVZDEYMHSTC-WOJBJXKFSA-N 2 1 326.440 1.947 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001002953838 709654128 /nfs/dbraw/zinc/65/41/28/709654128.db2.gz DHYFQDYRDKXCGU-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(C)ncn2)CC1 ZINC001002956649 709660380 /nfs/dbraw/zinc/66/03/80/709660380.db2.gz ZFVSXGMDKJTOPH-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(C)ncn2)CC1 ZINC001002956649 709660383 /nfs/dbraw/zinc/66/03/83/709660383.db2.gz ZFVSXGMDKJTOPH-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP Cn1cc(CC[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cn1 ZINC001034271481 709678198 /nfs/dbraw/zinc/67/81/98/709678198.db2.gz NNHNMEVOFAPNCQ-ZWKOTPCHSA-N 2 1 347.507 1.418 20 0 EDADMP Cn1cc(CC[NH+]2CCCC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001034271481 709678199 /nfs/dbraw/zinc/67/81/99/709678199.db2.gz NNHNMEVOFAPNCQ-ZWKOTPCHSA-N 2 1 347.507 1.418 20 0 EDADMP Cn1cc(CC[NH+]2CCCC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC001034271481 709678200 /nfs/dbraw/zinc/67/82/00/709678200.db2.gz NNHNMEVOFAPNCQ-ZWKOTPCHSA-N 2 1 347.507 1.418 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](C[C@@H]2CCOC2)C1)C12CCC[NH+]1CCC2 ZINC001034291220 709716691 /nfs/dbraw/zinc/71/66/91/709716691.db2.gz RNBLHMGHMJJENG-IRXDYDNUSA-N 2 1 335.492 1.622 20 0 EDADMP CCc1cc(N(C)[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC001061214296 709739005 /nfs/dbraw/zinc/73/90/05/709739005.db2.gz NMLPXDZVMLBQDE-DOTOQJQBSA-N 2 1 345.491 1.726 20 0 EDADMP CCc1cc(N(C)[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC001061214296 709739008 /nfs/dbraw/zinc/73/90/08/709739008.db2.gz NMLPXDZVMLBQDE-DOTOQJQBSA-N 2 1 345.491 1.726 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](C[C@H]2CCCCO2)C1 ZINC001034309931 709753105 /nfs/dbraw/zinc/75/31/05/709753105.db2.gz RALHTIBODJYREQ-DLBZAZTESA-N 2 1 334.464 1.731 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001034309931 709753107 /nfs/dbraw/zinc/75/31/07/709753107.db2.gz RALHTIBODJYREQ-DLBZAZTESA-N 2 1 334.464 1.731 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCCC[NH+](CCOC)C2)C1 ZINC001034369768 709855842 /nfs/dbraw/zinc/85/58/42/709855842.db2.gz UZKXCUHCRVUFEI-SJORKVTESA-N 2 1 325.497 1.726 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3cccnc3)C2)C1 ZINC001034491100 710110853 /nfs/dbraw/zinc/11/08/53/710110853.db2.gz QKYYGWODKGLKMQ-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@H+](Cc3cccnc3)C2)C1 ZINC001034491100 710110855 /nfs/dbraw/zinc/11/08/55/710110855.db2.gz QKYYGWODKGLKMQ-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3cccnc3)C2)C1 ZINC001034491100 710110858 /nfs/dbraw/zinc/11/08/58/710110858.db2.gz QKYYGWODKGLKMQ-FUHWJXTLSA-N 2 1 330.476 1.894 20 0 EDADMP COC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003229293 710150182 /nfs/dbraw/zinc/15/01/82/710150182.db2.gz FJGCKBNUMQWFGK-DOTOQJQBSA-N 2 1 325.497 1.722 20 0 EDADMP CCn1cc(CC[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034528748 710183232 /nfs/dbraw/zinc/18/32/32/710183232.db2.gz QEBIQNUIROAQHP-GOSISDBHSA-N 2 1 347.507 1.512 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)c1 ZINC001034536504 710208513 /nfs/dbraw/zinc/20/85/13/710208513.db2.gz GEMKQEOIWWFNEC-SFHVURJKSA-N 2 1 333.476 1.715 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC001034608384 710281316 /nfs/dbraw/zinc/28/13/16/710281316.db2.gz BUAXVZYOFHMLRP-KKUMJFAQSA-N 2 1 347.463 1.558 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC001034608384 710281318 /nfs/dbraw/zinc/28/13/18/710281318.db2.gz BUAXVZYOFHMLRP-KKUMJFAQSA-N 2 1 347.463 1.558 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001034611586 710286131 /nfs/dbraw/zinc/28/61/31/710286131.db2.gz LZKPKCKUJKTZJH-BZUAXINKSA-N 2 1 333.480 1.514 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC001034616534 710291763 /nfs/dbraw/zinc/29/17/63/710291763.db2.gz BIUPEOAWXJEWMP-BZSNNMDCSA-N 2 1 349.519 1.914 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC001034616534 710291767 /nfs/dbraw/zinc/29/17/67/710291767.db2.gz BIUPEOAWXJEWMP-BZSNNMDCSA-N 2 1 349.519 1.914 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3cnnn3C)CC2)C1 ZINC001003482712 710377301 /nfs/dbraw/zinc/37/73/01/710377301.db2.gz JSNCKXVASLWHLW-HNNXBMFYSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3cnnn3C)CC2)C1 ZINC001003482712 710377304 /nfs/dbraw/zinc/37/73/04/710377304.db2.gz JSNCKXVASLWHLW-HNNXBMFYSA-N 2 1 348.495 1.018 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003545060 710412778 /nfs/dbraw/zinc/41/27/78/710412778.db2.gz YPBUFIBNSIVFFO-UHFFFAOYSA-N 2 1 348.495 1.029 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001003628667 710458707 /nfs/dbraw/zinc/45/87/07/710458707.db2.gz SNWIOTMJFUJEQE-KDOFPFPSSA-N 2 1 343.487 1.814 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC001003632686 710461394 /nfs/dbraw/zinc/46/13/94/710461394.db2.gz BRDGZLNXJUFFAV-DNVCBOLYSA-N 2 1 345.487 1.974 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000922264898 710550487 /nfs/dbraw/zinc/55/04/87/710550487.db2.gz YAIYWUZYYXDSOX-KRWDZBQOSA-N 2 1 330.476 1.902 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](C)O)CC1)CC2 ZINC001034719336 710883951 /nfs/dbraw/zinc/88/39/51/710883951.db2.gz SOUBQXVFEKGPJA-TUUVXOQKSA-N 2 1 334.464 1.152 20 0 EDADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1 ZINC001034735844 710921934 /nfs/dbraw/zinc/92/19/34/710921934.db2.gz NIEGCGHCUJLNDO-IHRRRGAJSA-N 2 1 337.493 1.539 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1 ZINC001034735844 710921940 /nfs/dbraw/zinc/92/19/40/710921940.db2.gz NIEGCGHCUJLNDO-IHRRRGAJSA-N 2 1 337.493 1.539 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034736582 710924002 /nfs/dbraw/zinc/92/40/02/710924002.db2.gz XFCQBYUWNKPFIF-XIRDDKMYSA-N 2 1 333.480 1.421 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnsn3)CC2)C1 ZINC001034775476 711048777 /nfs/dbraw/zinc/04/87/77/711048777.db2.gz ANDNULNUYYEVEN-MGPQQGTHSA-N 2 1 337.493 1.397 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnsn3)CC2)C1 ZINC001034775476 711048783 /nfs/dbraw/zinc/04/87/83/711048783.db2.gz ANDNULNUYYEVEN-MGPQQGTHSA-N 2 1 337.493 1.397 20 0 EDADMP Cc1ccc(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032975299 711064594 /nfs/dbraw/zinc/06/45/94/711064594.db2.gz HEGQVCDGMVZBBW-MOPGFXCFSA-N 2 1 345.487 1.401 20 0 EDADMP Cc1ccc(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032975299 711064595 /nfs/dbraw/zinc/06/45/95/711064595.db2.gz HEGQVCDGMVZBBW-MOPGFXCFSA-N 2 1 345.487 1.401 20 0 EDADMP Cc1ccc(CC[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001032975299 711064601 /nfs/dbraw/zinc/06/46/01/711064601.db2.gz HEGQVCDGMVZBBW-MOPGFXCFSA-N 2 1 345.487 1.401 20 0 EDADMP Cc1ccc(CC[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001032975299 711064606 /nfs/dbraw/zinc/06/46/06/711064606.db2.gz HEGQVCDGMVZBBW-MOPGFXCFSA-N 2 1 345.487 1.401 20 0 EDADMP Cc1cc(C)cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)c1 ZINC001032976328 711085493 /nfs/dbraw/zinc/08/54/93/711085493.db2.gz NTXJPFOWZURUJM-RBUKOAKNSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1cc(C)cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)c1 ZINC001032976328 711085496 /nfs/dbraw/zinc/08/54/96/711085496.db2.gz NTXJPFOWZURUJM-RBUKOAKNSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1cc(C)cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC001032976328 711085501 /nfs/dbraw/zinc/08/55/01/711085501.db2.gz NTXJPFOWZURUJM-RBUKOAKNSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1cc(C)cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001032976328 711085506 /nfs/dbraw/zinc/08/55/06/711085506.db2.gz NTXJPFOWZURUJM-RBUKOAKNSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC001034795256 711113017 /nfs/dbraw/zinc/11/30/17/711113017.db2.gz YGBHVHKFOLSCJF-QSPRXWTASA-N 2 1 334.464 1.776 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034792095 711118794 /nfs/dbraw/zinc/11/87/94/711118794.db2.gz DUUAGOYAUUVSDB-NMFUWQPSSA-N 2 1 335.452 1.408 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034792095 711118795 /nfs/dbraw/zinc/11/87/95/711118795.db2.gz DUUAGOYAUUVSDB-NMFUWQPSSA-N 2 1 335.452 1.408 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001003973800 711130489 /nfs/dbraw/zinc/13/04/89/711130489.db2.gz GMKSSDRUCJITCL-CYBMUJFWSA-N 2 1 329.435 1.954 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001003977101 711148182 /nfs/dbraw/zinc/14/81/82/711148182.db2.gz VHFFCCZJYYVACG-LSDHHAIUSA-N 2 1 334.464 1.966 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001003977101 711148185 /nfs/dbraw/zinc/14/81/85/711148185.db2.gz VHFFCCZJYYVACG-LSDHHAIUSA-N 2 1 334.464 1.966 20 0 EDADMP Cn1c(Cl)cnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001034885223 711289449 /nfs/dbraw/zinc/28/94/49/711289449.db2.gz RAUBOKWOZAZBEE-CHWSQXEVSA-N 2 1 339.871 1.248 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC[NH+](CC2CC2)CC1 ZINC001005743165 711367740 /nfs/dbraw/zinc/36/77/40/711367740.db2.gz XPMPSAXEHXEXIR-RMXPPQQLSA-N 2 1 333.476 1.182 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncccn2)C1 ZINC001034959291 711433957 /nfs/dbraw/zinc/43/39/57/711433957.db2.gz WIWZGFFCYXTMIM-IAGOWNOFSA-N 2 1 345.491 1.535 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncccn2)C1 ZINC001034959291 711433960 /nfs/dbraw/zinc/43/39/60/711433960.db2.gz WIWZGFFCYXTMIM-IAGOWNOFSA-N 2 1 345.491 1.535 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cncn2C)CC[N@H+]1C ZINC001034941752 711446640 /nfs/dbraw/zinc/44/66/40/711446640.db2.gz WIKHZWQMRAPTMW-HYVNUMGLSA-N 2 1 333.480 1.231 20 0 EDADMP CCc1ncc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](CC)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000922395018 711461202 /nfs/dbraw/zinc/46/12/02/711461202.db2.gz PWZNKLDEYUALOF-RWQQGDIJSA-N 2 1 332.492 1.998 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)C1 ZINC001004143755 711544199 /nfs/dbraw/zinc/54/41/99/711544199.db2.gz ORXIGJZYWPMJLV-MJGOQNOKSA-N 2 1 345.487 1.122 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)C1 ZINC001004149510 711563580 /nfs/dbraw/zinc/56/35/80/711563580.db2.gz KGCKQVUDJDAYLZ-RDTXWAMCSA-N 2 1 349.450 1.391 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001004150010 711564718 /nfs/dbraw/zinc/56/47/18/711564718.db2.gz QOBIWIWPLNCMSY-INIZCTEOSA-N 2 1 331.460 1.598 20 0 EDADMP Cc1ccc(OCC[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001004151366 711569119 /nfs/dbraw/zinc/56/91/19/711569119.db2.gz XSPZGKMPEHOUNF-QGZVFWFLSA-N 2 1 345.487 1.906 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2cn(C)nc2C)C1 ZINC001033126187 711889036 /nfs/dbraw/zinc/88/90/36/711889036.db2.gz LARUNQPQFCTKGB-QZTJIDSGSA-N 2 1 347.507 1.636 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033126187 711889039 /nfs/dbraw/zinc/88/90/39/711889039.db2.gz LARUNQPQFCTKGB-QZTJIDSGSA-N 2 1 347.507 1.636 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001033126187 711889042 /nfs/dbraw/zinc/88/90/42/711889042.db2.gz LARUNQPQFCTKGB-QZTJIDSGSA-N 2 1 347.507 1.636 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001033126187 711889045 /nfs/dbraw/zinc/88/90/45/711889045.db2.gz LARUNQPQFCTKGB-QZTJIDSGSA-N 2 1 347.507 1.636 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001033126187 711889047 /nfs/dbraw/zinc/88/90/47/711889047.db2.gz LARUNQPQFCTKGB-QZTJIDSGSA-N 2 1 347.507 1.636 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004580662 712012751 /nfs/dbraw/zinc/01/27/51/712012751.db2.gz OIADPHSESWOBDI-QGZVFWFLSA-N 2 1 348.491 1.702 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004580662 712012753 /nfs/dbraw/zinc/01/27/53/712012753.db2.gz OIADPHSESWOBDI-QGZVFWFLSA-N 2 1 348.491 1.702 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C)no3)C[C@H]2CC1)[NH+](C)C ZINC000946643018 712129944 /nfs/dbraw/zinc/12/99/44/712129944.db2.gz ZAUQEDCZIHXDJT-SOLBZPMBSA-N 2 1 348.491 1.994 20 0 EDADMP CCC(CC)[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)CC)[NH+]1CCOCC1 ZINC000246734874 282222874 /nfs/dbraw/zinc/22/28/74/282222874.db2.gz MLADRYBYOKOQFC-RDJZCZTQSA-N 2 1 327.513 1.970 20 0 EDADMP CCC(CC)[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)CC)[NH+]1CCOCC1 ZINC000246734874 282222878 /nfs/dbraw/zinc/22/28/78/282222878.db2.gz MLADRYBYOKOQFC-RDJZCZTQSA-N 2 1 327.513 1.970 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433412021 305108444 /nfs/dbraw/zinc/10/84/44/305108444.db2.gz POKZXSIUERKULO-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433412021 305108445 /nfs/dbraw/zinc/10/84/45/305108445.db2.gz POKZXSIUERKULO-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433412021 305108446 /nfs/dbraw/zinc/10/84/46/305108446.db2.gz POKZXSIUERKULO-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000333294486 299105898 /nfs/dbraw/zinc/10/58/98/299105898.db2.gz RYJYDRIGJLBPPY-GJZGRUSLSA-N 2 1 338.496 1.123 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000333294486 299105903 /nfs/dbraw/zinc/10/59/03/299105903.db2.gz RYJYDRIGJLBPPY-GJZGRUSLSA-N 2 1 338.496 1.123 20 0 EDADMP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000333294486 299105908 /nfs/dbraw/zinc/10/59/08/299105908.db2.gz RYJYDRIGJLBPPY-GJZGRUSLSA-N 2 1 338.496 1.123 20 0 EDADMP [NH3+]C1(CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CCCCCC1 ZINC000561204455 306284708 /nfs/dbraw/zinc/28/47/08/306284708.db2.gz WSRXTHCFIGMQKI-MRXNPFEDSA-N 2 1 331.464 1.789 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](O)C(C)C)CC2)CC1 ZINC000561298979 306286542 /nfs/dbraw/zinc/28/65/42/306286542.db2.gz CMRVKVRJRJYSSF-QGZVFWFLSA-N 2 1 325.497 1.316 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000151051886 539734614 /nfs/dbraw/zinc/73/46/14/539734614.db2.gz AREAEPMYCGEVOC-JKSUJKDBSA-N 2 1 328.501 1.517 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000151051886 539734618 /nfs/dbraw/zinc/73/46/18/539734618.db2.gz AREAEPMYCGEVOC-JKSUJKDBSA-N 2 1 328.501 1.517 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+](CC)CC)CC[N@H+]1C[C@H](C)O ZINC000345343890 539829100 /nfs/dbraw/zinc/82/91/00/539829100.db2.gz NCKNDZAZCXKVHE-OWCLPIDISA-N 2 1 328.501 1.203 20 0 EDADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000347329548 539863932 /nfs/dbraw/zinc/86/39/32/539863932.db2.gz YKSRHZQUZRDISJ-ZBRFXRBCSA-N 2 1 325.497 1.015 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353172854 539931674 /nfs/dbraw/zinc/93/16/74/539931674.db2.gz UFBRUKUBJNYFTP-OTWHNJEPSA-N 2 1 341.540 1.654 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353172854 539931680 /nfs/dbraw/zinc/93/16/80/539931680.db2.gz UFBRUKUBJNYFTP-OTWHNJEPSA-N 2 1 341.540 1.654 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[C@@H](C)O1 ZINC000355356676 539954836 /nfs/dbraw/zinc/95/48/36/539954836.db2.gz YZRUOXZNVXWMMW-ZAWLATJESA-N 2 1 339.524 1.120 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C[C@@H](C)O1 ZINC000355356676 539954846 /nfs/dbraw/zinc/95/48/46/539954846.db2.gz YZRUOXZNVXWMMW-ZAWLATJESA-N 2 1 339.524 1.120 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C[C@@H](C)O1 ZINC000355356676 539954850 /nfs/dbraw/zinc/95/48/50/539954850.db2.gz YZRUOXZNVXWMMW-ZAWLATJESA-N 2 1 339.524 1.120 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[C@@H](C)O1 ZINC000355356676 539954853 /nfs/dbraw/zinc/95/48/53/539954853.db2.gz YZRUOXZNVXWMMW-ZAWLATJESA-N 2 1 339.524 1.120 20 0 EDADMP C[C@@H]1CN(C[C@H](O)C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[C@@H](C)O1 ZINC000355356676 539954856 /nfs/dbraw/zinc/95/48/56/539954856.db2.gz YZRUOXZNVXWMMW-ZAWLATJESA-N 2 1 339.524 1.120 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000048395123 540184575 /nfs/dbraw/zinc/18/45/75/540184575.db2.gz FDDSYVNXYZIUIR-QGZVFWFLSA-N 2 1 338.496 1.269 20 0 EDADMP CC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(=O)OC ZINC000563381821 306330998 /nfs/dbraw/zinc/33/09/98/306330998.db2.gz VQXUXFSYNGAUMP-MRXNPFEDSA-N 2 1 339.480 1.251 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)[C@@H]2C1 ZINC000418686942 283148641 /nfs/dbraw/zinc/14/86/41/283148641.db2.gz QDVZYSNAKRMMMI-WNRNVDISSA-N 2 1 328.460 1.478 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCOC)[C@@H](C)C1 ZINC000360796704 283175694 /nfs/dbraw/zinc/17/56/94/283175694.db2.gz HNKCYFZFYHJJCD-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCOC)[C@@H](C)C1 ZINC000360796704 283175695 /nfs/dbraw/zinc/17/56/95/283175695.db2.gz HNKCYFZFYHJJCD-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000360796704 283175696 /nfs/dbraw/zinc/17/56/96/283175696.db2.gz HNKCYFZFYHJJCD-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000360796704 283175697 /nfs/dbraw/zinc/17/56/97/283175697.db2.gz HNKCYFZFYHJJCD-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000066988168 138183340 /nfs/dbraw/zinc/18/33/40/138183340.db2.gz JONFBSVTEHXHBS-UHFFFAOYSA-N 2 1 326.485 1.272 20 0 EDADMP C[N@@H+](C[C@@H](O)CNCCOc1ccc(Br)cc1)C1CC1 ZINC000563528704 306337397 /nfs/dbraw/zinc/33/73/97/306337397.db2.gz BKJFAWVUIBORCM-AWEZNQCLSA-N 2 1 343.265 1.873 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000563562378 306339135 /nfs/dbraw/zinc/33/91/35/306339135.db2.gz XHECWIJKGWZNAU-SFHVURJKSA-N 2 1 345.491 1.860 20 0 EDADMP C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)N1CC[NH+](C)CC1 ZINC000091824391 138285098 /nfs/dbraw/zinc/28/50/98/138285098.db2.gz LVEMXDFUXJPVNZ-KRWDZBQOSA-N 2 1 344.503 1.899 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000343020551 283210418 /nfs/dbraw/zinc/21/04/18/283210418.db2.gz QUFNQHRSVLKFFL-JKSUJKDBSA-N 2 1 340.512 1.214 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107824450 138304642 /nfs/dbraw/zinc/30/46/42/138304642.db2.gz KBZOZEGNSDLDIR-KRWDZBQOSA-N 2 1 338.496 1.369 20 0 EDADMP Cc1cc(CNC(=O)NCC2=CC[NH2+]CC2)cc(N2CCCC2)[nH+]1 ZINC000563591461 306340525 /nfs/dbraw/zinc/34/05/25/306340525.db2.gz NBMANVGRPHLPNH-UHFFFAOYSA-N 2 1 329.448 1.709 20 0 EDADMP CN(C(=O)c1ccnn1C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124690282 138328874 /nfs/dbraw/zinc/32/88/74/138328874.db2.gz ORYZUANOMLXEKZ-DLBZAZTESA-N 2 1 347.507 1.829 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000123788261 138321232 /nfs/dbraw/zinc/32/12/32/138321232.db2.gz SFAJTWSTJPIPPF-OAHLLOKOSA-N 2 1 327.517 1.042 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(O)CC1 ZINC000126244965 138337846 /nfs/dbraw/zinc/33/78/46/138337846.db2.gz RTVGDVVCBLGKMG-DOTOQJQBSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(O)CC1 ZINC000126244965 138337847 /nfs/dbraw/zinc/33/78/47/138337847.db2.gz RTVGDVVCBLGKMG-DOTOQJQBSA-N 2 1 331.460 1.222 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000132463721 138377295 /nfs/dbraw/zinc/37/72/95/138377295.db2.gz NBVHIKASXLDEPC-GOSISDBHSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000132463721 138377297 /nfs/dbraw/zinc/37/72/97/138377297.db2.gz NBVHIKASXLDEPC-GOSISDBHSA-N 2 1 331.460 1.345 20 0 EDADMP CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](CC)CC2)C1(C)C ZINC000133159171 138389467 /nfs/dbraw/zinc/38/94/67/138389467.db2.gz YYVZAMYXDJIAJG-HOTGVXAUSA-N 2 1 325.497 1.722 20 0 EDADMP CN(CC(O)C[N@@H+](C)CC1(N(C)C)CCC1)CC1([NH+](C)C)CCC1 ZINC000447262028 305276599 /nfs/dbraw/zinc/27/65/99/305276599.db2.gz CBBNGZAVNLLYQN-UHFFFAOYSA-N 2 1 340.556 1.180 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CC)C2)C[C@H]1CC ZINC000413829862 304079140 /nfs/dbraw/zinc/07/91/40/304079140.db2.gz FMJQCSJGDVVIAY-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC)C2)C[C@H]1CC ZINC000413829862 304079141 /nfs/dbraw/zinc/07/91/41/304079141.db2.gz FMJQCSJGDVVIAY-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC)C2)C[C@H]1CC ZINC000413829862 304079142 /nfs/dbraw/zinc/07/91/42/304079142.db2.gz FMJQCSJGDVVIAY-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000564564754 306360850 /nfs/dbraw/zinc/36/08/50/306360850.db2.gz PUSOMLWDYKXABH-SFHVURJKSA-N 2 1 334.460 1.789 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC(=O)NC(N)=O)cc1 ZINC000183686586 138786885 /nfs/dbraw/zinc/78/68/85/138786885.db2.gz DZGAHWXUONBTKC-LBPRGKRZSA-N 2 1 329.404 1.806 20 0 EDADMP Cc1ncc2n1C[C@H](C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000565074246 306374766 /nfs/dbraw/zinc/37/47/66/306374766.db2.gz QQPUXHBKXTYCKG-HLLBOEOZSA-N 2 1 348.491 1.760 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000565074246 306374768 /nfs/dbraw/zinc/37/47/68/306374768.db2.gz QQPUXHBKXTYCKG-HLLBOEOZSA-N 2 1 348.491 1.760 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000565163149 306377007 /nfs/dbraw/zinc/37/70/07/306377007.db2.gz JQWCKBJBIZCOGF-MOPGFXCFSA-N 2 1 341.540 1.369 20 0 EDADMP C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000333294487 296065388 /nfs/dbraw/zinc/06/53/88/296065388.db2.gz RYJYDRIGJLBPPY-HUUCEWRRSA-N 2 1 338.496 1.123 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000333294487 296065389 /nfs/dbraw/zinc/06/53/89/296065389.db2.gz RYJYDRIGJLBPPY-HUUCEWRRSA-N 2 1 338.496 1.123 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000333294487 296065391 /nfs/dbraw/zinc/06/53/91/296065391.db2.gz RYJYDRIGJLBPPY-HUUCEWRRSA-N 2 1 338.496 1.123 20 0 EDADMP [NH3+]CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414741743 304135773 /nfs/dbraw/zinc/13/57/73/304135773.db2.gz HRZXBDOGZXYKJN-NSHDSACASA-N 2 1 341.253 1.843 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000073621946 203270988 /nfs/dbraw/zinc/27/09/88/203270988.db2.gz YNRCWTMMWMXQSE-QGZVFWFLSA-N 2 1 348.491 1.911 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000415048193 304154338 /nfs/dbraw/zinc/15/43/38/304154338.db2.gz WYEJPMOKOOOVKH-HIFRSBDPSA-N 2 1 332.448 1.334 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[NH+]1CCOCC1 ZINC000567057428 306436487 /nfs/dbraw/zinc/43/64/87/306436487.db2.gz BPBHWCXEHRGMMR-RMXPPQQLSA-N 2 1 337.508 1.853 20 0 EDADMP C[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)C[C@@H](O)C[NH3+] ZINC000415063767 304155758 /nfs/dbraw/zinc/15/57/58/304155758.db2.gz AVMVMUZSFVVRKE-VIFPVBQESA-N 2 1 339.180 1.802 20 0 EDADMP C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)C[C@@H](O)C[NH3+] ZINC000415063767 304155760 /nfs/dbraw/zinc/15/57/60/304155760.db2.gz AVMVMUZSFVVRKE-VIFPVBQESA-N 2 1 339.180 1.802 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000415120956 304161562 /nfs/dbraw/zinc/16/15/62/304161562.db2.gz GVAXBCINCIGUFP-MRXNPFEDSA-N 2 1 346.475 1.535 20 0 EDADMP Cn1cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(C(C)(C)C)n1 ZINC000415121888 304161667 /nfs/dbraw/zinc/16/16/67/304161667.db2.gz HQLYYJQZZHPCGG-HNNXBMFYSA-N 2 1 331.468 1.605 20 0 EDADMP COc1cccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1OC ZINC000415123773 304162264 /nfs/dbraw/zinc/16/22/64/304162264.db2.gz JQTOWUKNMPDKJC-OAHLLOKOSA-N 2 1 331.420 1.591 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)COCc3ccccc3)C2)CC1 ZINC000107369918 204235311 /nfs/dbraw/zinc/23/53/11/204235311.db2.gz QDGPJTAVOJPSBX-PMACEKPBSA-N 2 1 347.503 1.276 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C)CC1 ZINC000111797434 204374127 /nfs/dbraw/zinc/37/41/27/204374127.db2.gz LTDQZMDKRUGAID-MRXNPFEDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C)CC1 ZINC000111797434 204374132 /nfs/dbraw/zinc/37/41/32/204374132.db2.gz LTDQZMDKRUGAID-MRXNPFEDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519094 139019277 /nfs/dbraw/zinc/01/92/77/139019277.db2.gz PEBJLIARZRYQRR-OAHLLOKOSA-N 2 1 346.475 1.403 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000236997968 139037635 /nfs/dbraw/zinc/03/76/35/139037635.db2.gz ATTVNLMTJYOETH-STQMWFEESA-N 2 1 339.402 1.473 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000237065298 139039634 /nfs/dbraw/zinc/03/96/34/139039634.db2.gz XPXFEOSYLBWCRM-PKOBYXMFSA-N 2 1 346.519 1.684 20 0 EDADMP C[NH+](C)CCCOc1ccc(CNC(=O)c2csc(C[NH3+])n2)cc1 ZINC000237104986 139040785 /nfs/dbraw/zinc/04/07/85/139040785.db2.gz JFYBUITUFWZJOP-UHFFFAOYSA-N 2 1 348.472 1.862 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000237214511 139044670 /nfs/dbraw/zinc/04/46/70/139044670.db2.gz YVJUKHVYQSYULY-ROUUACIJSA-N 2 1 330.476 1.291 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237232492 139045148 /nfs/dbraw/zinc/04/51/48/139045148.db2.gz OVOJUSWMBPFGGN-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237232492 139045149 /nfs/dbraw/zinc/04/51/49/139045149.db2.gz OVOJUSWMBPFGGN-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)nc(C)[nH+]1 ZINC000237288457 139046784 /nfs/dbraw/zinc/04/67/84/139046784.db2.gz XVBLNDXHNNNYGO-MRXNPFEDSA-N 2 1 333.480 1.894 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000237423046 139050812 /nfs/dbraw/zinc/05/08/12/139050812.db2.gz CLPDSWQFVWDMIV-HKUYNNGSSA-N 2 1 344.503 1.533 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000237486864 139052330 /nfs/dbraw/zinc/05/23/30/139052330.db2.gz KMRAJCUBUJJZCN-QXAKKESOSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000237486864 139052331 /nfs/dbraw/zinc/05/23/31/139052331.db2.gz KMRAJCUBUJJZCN-QXAKKESOSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000237631318 139056463 /nfs/dbraw/zinc/05/64/63/139056463.db2.gz LQONJGDWLVVXDS-RVKKMQEKSA-N 2 1 331.460 1.522 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000238154667 139069729 /nfs/dbraw/zinc/06/97/29/139069729.db2.gz JENCZLBHMGQTEH-SJLPKXTDSA-N 2 1 331.460 1.393 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000238154667 139069730 /nfs/dbraw/zinc/06/97/30/139069730.db2.gz JENCZLBHMGQTEH-SJLPKXTDSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCN(C)CC1 ZINC000245202942 139071277 /nfs/dbraw/zinc/07/12/77/139071277.db2.gz XWROEWNHLJXZHS-BBWFWOEESA-N 2 1 338.540 1.495 20 0 EDADMP C[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000245202942 139071278 /nfs/dbraw/zinc/07/12/78/139071278.db2.gz XWROEWNHLJXZHS-BBWFWOEESA-N 2 1 338.540 1.495 20 0 EDADMP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000245202942 139071279 /nfs/dbraw/zinc/07/12/79/139071279.db2.gz XWROEWNHLJXZHS-BBWFWOEESA-N 2 1 338.540 1.495 20 0 EDADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+](C2CC2)C1 ZINC000415258158 304180016 /nfs/dbraw/zinc/18/00/16/304180016.db2.gz RFPCVJSRQPYAJE-ZDUSSCGKSA-N 2 1 342.443 1.171 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)c2C1 ZINC000415264376 304181373 /nfs/dbraw/zinc/18/13/73/304181373.db2.gz CJTREGNSDNATEC-AWEZNQCLSA-N 2 1 330.432 1.300 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)c2C1 ZINC000415264376 304181375 /nfs/dbraw/zinc/18/13/75/304181375.db2.gz CJTREGNSDNATEC-AWEZNQCLSA-N 2 1 330.432 1.300 20 0 EDADMP C[C@@H](O)C1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000158517893 206195441 /nfs/dbraw/zinc/19/54/41/206195441.db2.gz CQSCSUMBEOWZFL-CRAIPNDOSA-N 2 1 333.476 1.498 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CC ZINC000246189140 139098359 /nfs/dbraw/zinc/09/83/59/139098359.db2.gz CZGSRIPCCPIIPN-FBVQUNGASA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000246568024 139113257 /nfs/dbraw/zinc/11/32/57/139113257.db2.gz UWHNOGHFCVAFOQ-KBAYOESNSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000246568024 139113258 /nfs/dbraw/zinc/11/32/58/139113258.db2.gz UWHNOGHFCVAFOQ-KBAYOESNSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246994898 139130185 /nfs/dbraw/zinc/13/01/85/139130185.db2.gz PKKXAIKCMPKGJP-UNEWFSDZSA-N 2 1 344.459 1.529 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000247063559 139133725 /nfs/dbraw/zinc/13/37/25/139133725.db2.gz BSUFZMFDOWJOTK-BBWFWOEESA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)[C@@H](C)C1 ZINC000247071390 139134185 /nfs/dbraw/zinc/13/41/85/139134185.db2.gz QDWQTLYTWANQAJ-RDJZCZTQSA-N 2 1 339.505 1.426 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)[C@@H](C)C1 ZINC000247071390 139134186 /nfs/dbraw/zinc/13/41/86/139134186.db2.gz QDWQTLYTWANQAJ-RDJZCZTQSA-N 2 1 339.505 1.426 20 0 EDADMP C[C@H](C(=O)NC(=O)Nc1ccccc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247174633 139138867 /nfs/dbraw/zinc/13/88/67/139138867.db2.gz YSCJQTVGBZENHS-CABCVRRESA-N 2 1 332.448 1.997 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000248397834 139161788 /nfs/dbraw/zinc/16/17/88/139161788.db2.gz MLJRKYMULWWLEF-HWWDLCQESA-N 2 1 344.459 1.284 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000249034831 139183422 /nfs/dbraw/zinc/18/34/22/139183422.db2.gz TVWBKFFQRDXBHQ-AEFFLSMTSA-N 2 1 348.491 1.120 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000249034831 139183423 /nfs/dbraw/zinc/18/34/23/139183423.db2.gz TVWBKFFQRDXBHQ-AEFFLSMTSA-N 2 1 348.491 1.120 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000249034831 139183424 /nfs/dbraw/zinc/18/34/24/139183424.db2.gz TVWBKFFQRDXBHQ-AEFFLSMTSA-N 2 1 348.491 1.120 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249102045 139185649 /nfs/dbraw/zinc/18/56/49/139185649.db2.gz KFVDXAJORXCKLI-GJZGRUSLSA-N 2 1 328.501 1.203 20 0 EDADMP C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000249132267 139186918 /nfs/dbraw/zinc/18/69/18/139186918.db2.gz STIVLAXYDBANSG-LSDHHAIUSA-N 2 1 342.528 1.449 20 0 EDADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261636532 139213377 /nfs/dbraw/zinc/21/33/77/139213377.db2.gz HYRWYGIVSUQLCW-QGZVFWFLSA-N 2 1 333.476 1.834 20 0 EDADMP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261732295 139221639 /nfs/dbraw/zinc/22/16/39/139221639.db2.gz RVUBLFYXQHUPLN-MRXNPFEDSA-N 2 1 330.476 1.728 20 0 EDADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261732295 139221640 /nfs/dbraw/zinc/22/16/40/139221640.db2.gz RVUBLFYXQHUPLN-MRXNPFEDSA-N 2 1 330.476 1.728 20 0 EDADMP O=C(CC[C@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000261783183 139225735 /nfs/dbraw/zinc/22/57/35/139225735.db2.gz YBPIDWOLUWETOJ-GOSISDBHSA-N 2 1 331.460 1.667 20 0 EDADMP C[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000261838844 139230518 /nfs/dbraw/zinc/23/05/18/139230518.db2.gz NPDJGTBLZNNGKU-QZTJIDSGSA-N 2 1 344.503 1.703 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000261874669 139233171 /nfs/dbraw/zinc/23/31/71/139233171.db2.gz SQKYALOUSZXSGA-RBUKOAKNSA-N 2 1 344.503 1.568 20 0 EDADMP CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261885388 139233995 /nfs/dbraw/zinc/23/39/95/139233995.db2.gz FVAKRLYKOOWUQN-RCCFBDPRSA-N 2 1 331.460 1.683 20 0 EDADMP CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)no1 ZINC000261887244 139234078 /nfs/dbraw/zinc/23/40/78/139234078.db2.gz SGAQYMZYEMHGNY-PBHICJAKSA-N 2 1 335.452 1.054 20 0 EDADMP CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)no1 ZINC000261887244 139234079 /nfs/dbraw/zinc/23/40/79/139234079.db2.gz SGAQYMZYEMHGNY-PBHICJAKSA-N 2 1 335.452 1.054 20 0 EDADMP c1cnc(N2CCOCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261977019 139241272 /nfs/dbraw/zinc/24/12/72/139241272.db2.gz RGZCQUYEGBYIKM-KZNAEPCWSA-N 2 1 346.475 1.165 20 0 EDADMP COc1ccc(OC)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261991495 139242239 /nfs/dbraw/zinc/24/22/39/139242239.db2.gz SVSGUSSTFCPAOT-RCCFBDPRSA-N 2 1 334.460 1.993 20 0 EDADMP CCCn1c2ccccc2nc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262068651 139248149 /nfs/dbraw/zinc/24/81/49/139248149.db2.gz BRQTXLOHPNTATB-INIZCTEOSA-N 2 1 327.476 1.926 20 0 EDADMP CCCn1c2ccccc2nc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262068651 139248150 /nfs/dbraw/zinc/24/81/50/139248150.db2.gz BRQTXLOHPNTATB-INIZCTEOSA-N 2 1 327.476 1.926 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262067633 139248190 /nfs/dbraw/zinc/24/81/90/139248190.db2.gz BKXDMCSSSSEDIK-SFHVURJKSA-N 3 1 326.448 1.055 20 0 EDADMP Cc1nn(-c2ccncc2)cc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262067633 139248191 /nfs/dbraw/zinc/24/81/91/139248191.db2.gz BKXDMCSSSSEDIK-SFHVURJKSA-N 2 1 326.448 1.055 20 0 EDADMP Cc1nn(-c2ccncc2)cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262067633 139248192 /nfs/dbraw/zinc/24/81/92/139248192.db2.gz BKXDMCSSSSEDIK-SFHVURJKSA-N 2 1 326.448 1.055 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(-c2cccs2)n1 ZINC000262127913 139253325 /nfs/dbraw/zinc/25/33/25/139253325.db2.gz NHISLXBKAFRXNY-OAHLLOKOSA-N 2 1 331.489 1.628 20 0 EDADMP CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)C1(CC)CC ZINC000262154351 139255646 /nfs/dbraw/zinc/25/56/46/139255646.db2.gz PKSNNWZHLJMOQA-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP Fc1ccc(-n2nccc2C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262153489 139255714 /nfs/dbraw/zinc/25/57/14/139255714.db2.gz ROWAHRCERSQWII-QGZVFWFLSA-N 2 1 329.423 1.491 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262155924 139255819 /nfs/dbraw/zinc/25/58/19/139255819.db2.gz GLJMBOJNTGAYSZ-UHFFFAOYSA-N 2 1 329.448 1.872 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262155924 139255820 /nfs/dbraw/zinc/25/58/20/139255820.db2.gz GLJMBOJNTGAYSZ-UHFFFAOYSA-N 2 1 329.448 1.872 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cn2cc[nH+]c12 ZINC000415497079 250972496 /nfs/dbraw/zinc/97/24/96/250972496.db2.gz YVRXAWPMLAGFIT-CQSZACIVSA-N 2 1 331.420 1.413 20 0 EDADMP CN(CCCN1CC[NH+](C)CC1)Cc1nc(-c2ccsc2)no1 ZINC000174725994 207051043 /nfs/dbraw/zinc/05/10/43/207051043.db2.gz IXKWWVFNVIZBGX-UHFFFAOYSA-N 2 1 335.477 1.867 20 0 EDADMP O=C(CC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000262222653 139261270 /nfs/dbraw/zinc/26/12/70/139261270.db2.gz UQKVLBOLXVHLEB-UHFFFAOYSA-N 2 1 347.303 1.625 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416831300 251111444 /nfs/dbraw/zinc/11/14/44/251111444.db2.gz AVMCBPNDPASFIY-SJLPKXTDSA-N 2 1 328.460 1.797 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416873025 251114617 /nfs/dbraw/zinc/11/46/17/251114617.db2.gz MXSBDUDPFGDVAM-LJQANCHMSA-N 2 1 330.476 1.904 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000262300581 139267905 /nfs/dbraw/zinc/26/79/05/139267905.db2.gz PPJGLBPVYWYARV-NJAFHUGGSA-N 2 1 331.460 1.044 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000262300581 139267906 /nfs/dbraw/zinc/26/79/06/139267906.db2.gz PPJGLBPVYWYARV-NJAFHUGGSA-N 2 1 331.460 1.044 20 0 EDADMP COC[C@@]1(CNC(=O)NCC[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000417010899 251130106 /nfs/dbraw/zinc/13/01/06/251130106.db2.gz QOMJXOXQCNPRCS-IBGZPJMESA-N 2 1 346.475 1.113 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)C[C@@H]12 ZINC000417021063 251136168 /nfs/dbraw/zinc/13/61/68/251136168.db2.gz JTODVOZJMJCJRO-GUDVDZBRSA-N 2 1 342.487 1.814 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH2+]CCOC)C1 ZINC000417585615 251198790 /nfs/dbraw/zinc/19/87/90/251198790.db2.gz PPKREXOEBJWTPN-HNNXBMFYSA-N 2 1 328.501 1.422 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000417740098 251251005 /nfs/dbraw/zinc/25/10/05/251251005.db2.gz YXUIXTYGCLVYAG-SJORKVTESA-N 2 1 345.491 1.330 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000417753074 251256743 /nfs/dbraw/zinc/25/67/43/251256743.db2.gz NXFZEMCVYNMXKI-IAGOWNOFSA-N 2 1 341.544 1.275 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000417866660 251306006 /nfs/dbraw/zinc/30/60/06/251306006.db2.gz DUTZNYNFWAZYLY-SZVBFZGTSA-N 2 1 348.466 1.992 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000417866660 251306009 /nfs/dbraw/zinc/30/60/09/251306009.db2.gz DUTZNYNFWAZYLY-SZVBFZGTSA-N 2 1 348.466 1.992 20 0 EDADMP O=C(NCC[C@H]1CC[NH2+]C1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418108467 251325046 /nfs/dbraw/zinc/32/50/46/251325046.db2.gz RMBSZDLMXGKUQT-AEFFLSMTSA-N 2 1 330.476 1.807 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000418730675 251399798 /nfs/dbraw/zinc/39/97/98/251399798.db2.gz OWDGHCGLBMKNMV-GFCCVEGCSA-N 2 1 340.390 1.020 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1C ZINC000418624164 251380891 /nfs/dbraw/zinc/38/08/91/251380891.db2.gz YLSAITNLNDGVOU-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1C ZINC000418624164 251380893 /nfs/dbraw/zinc/38/08/93/251380893.db2.gz YLSAITNLNDGVOU-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H](C)[NH2+]C)CC2)cn1 ZINC000418638015 251382098 /nfs/dbraw/zinc/38/20/98/251382098.db2.gz KQWDSIMLCXKOQW-OAHLLOKOSA-N 2 1 336.484 1.118 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H](C)[NH2+]C)CC2)cn1 ZINC000418638015 251382102 /nfs/dbraw/zinc/38/21/02/251382102.db2.gz KQWDSIMLCXKOQW-OAHLLOKOSA-N 2 1 336.484 1.118 20 0 EDADMP [NH3+][C@H]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000262632277 139291518 /nfs/dbraw/zinc/29/15/18/139291518.db2.gz FVEKKQLCODULNP-ZBFHGGJFSA-N 2 1 334.439 1.191 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262655772 139293549 /nfs/dbraw/zinc/29/35/49/139293549.db2.gz UJUDSFBFKLGULG-HKUYNNGSSA-N 2 1 346.519 1.856 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[NH2+]CC1CC1 ZINC000262648021 139292990 /nfs/dbraw/zinc/29/29/90/139292990.db2.gz PLKALLDFOUPBDZ-INIZCTEOSA-N 2 1 330.476 1.313 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422876937 252008136 /nfs/dbraw/zinc/00/81/36/252008136.db2.gz GUMHRBWJZGUKEO-MHORFTMASA-N 2 1 336.524 1.439 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422876937 252008140 /nfs/dbraw/zinc/00/81/40/252008140.db2.gz GUMHRBWJZGUKEO-MHORFTMASA-N 2 1 336.524 1.439 20 0 EDADMP C[C@H](NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422879423 252010583 /nfs/dbraw/zinc/01/05/83/252010583.db2.gz KKKMOKZYCUYYMT-MAUKXSAKSA-N 2 1 330.476 1.304 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)[C@@H]1n1cccn1 ZINC000423151100 252037444 /nfs/dbraw/zinc/03/74/44/252037444.db2.gz ZTVMDYUEXQANQU-MULDDASSSA-N 2 1 334.464 1.348 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)cc2)C1 ZINC000423357751 252052959 /nfs/dbraw/zinc/05/29/59/252052959.db2.gz ANZCJFMTBCJPHA-WBVHZDCISA-N 2 1 344.459 1.450 20 0 EDADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1)CC(C)C ZINC000423513030 252057651 /nfs/dbraw/zinc/05/76/51/252057651.db2.gz BXUWOTWVLVWVSE-UHFFFAOYSA-N 2 1 340.512 1.010 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422906276 252018588 /nfs/dbraw/zinc/01/85/88/252018588.db2.gz JLCGCTCVUUZKCD-QZTJIDSGSA-N 3 1 332.492 1.728 20 0 EDADMP O=C(COC1C[NH2+]C1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423840314 252088850 /nfs/dbraw/zinc/08/88/50/252088850.db2.gz DTOKLKRGPMQBDZ-UHFFFAOYSA-N 2 1 343.471 1.490 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1)C1CC1 ZINC000424026419 252119061 /nfs/dbraw/zinc/11/90/61/252119061.db2.gz UOPKFYIFIOAQKA-SFHVURJKSA-N 2 1 331.460 1.861 20 0 EDADMP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000423791197 252075409 /nfs/dbraw/zinc/07/54/09/252075409.db2.gz HCYJEZCMFVDBGX-QYZOEREBSA-N 2 1 344.503 1.996 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000423795942 252079731 /nfs/dbraw/zinc/07/97/31/252079731.db2.gz KYZNPJWSXXPWDW-MJGOQNOKSA-N 2 1 330.476 1.752 20 0 EDADMP COC(=O)CC1CC([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000424272427 252187545 /nfs/dbraw/zinc/18/75/45/252187545.db2.gz UFNLKYKLQIYDCM-UHFFFAOYSA-N 2 1 345.487 1.865 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC[N@H+]1C[C@@H](C)O ZINC000424440445 252231312 /nfs/dbraw/zinc/23/13/12/252231312.db2.gz UNWRFFNQMRZZBZ-RHSMWYFYSA-N 2 1 334.464 1.763 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@@H](C)C1 ZINC000424473347 252244800 /nfs/dbraw/zinc/24/48/00/252244800.db2.gz WFLNVEPKNZDAIG-WMLDXEAASA-N 2 1 346.475 1.581 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424476984 252247030 /nfs/dbraw/zinc/24/70/30/252247030.db2.gz KUFIEGNUNJRTNR-QXCFHYIPSA-N 2 1 342.487 1.900 20 0 EDADMP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000569912555 306524548 /nfs/dbraw/zinc/52/45/48/306524548.db2.gz ISFVOQFFZKBNKZ-GVDBMIGSSA-N 2 1 329.448 1.126 20 0 EDADMP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000493969616 255228843 /nfs/dbraw/zinc/22/88/43/255228843.db2.gz OSVDMHMNKWWDSQ-STQMWFEESA-N 2 1 345.447 1.359 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000496126652 255356106 /nfs/dbraw/zinc/35/61/06/255356106.db2.gz UKFATVLMYVZKBJ-GJZGRUSLSA-N 2 1 329.485 1.488 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000496126652 255356107 /nfs/dbraw/zinc/35/61/07/255356107.db2.gz UKFATVLMYVZKBJ-GJZGRUSLSA-N 2 1 329.485 1.488 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000496126652 255356108 /nfs/dbraw/zinc/35/61/08/255356108.db2.gz UKFATVLMYVZKBJ-GJZGRUSLSA-N 2 1 329.485 1.488 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000496126652 255356109 /nfs/dbraw/zinc/35/61/09/255356109.db2.gz UKFATVLMYVZKBJ-GJZGRUSLSA-N 2 1 329.485 1.488 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccncc1 ZINC000263644614 285276357 /nfs/dbraw/zinc/27/63/57/285276357.db2.gz BVCMIDPVERMWLY-SFHVURJKSA-N 2 1 332.492 1.889 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccnn1C ZINC000421757187 285279658 /nfs/dbraw/zinc/27/96/58/285279658.db2.gz MHNXJFMMRWZZQH-HOTGVXAUSA-N 2 1 335.496 1.398 20 0 EDADMP COC(=O)c1cn(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)nn1 ZINC000119496872 221334784 /nfs/dbraw/zinc/33/47/84/221334784.db2.gz FBCRZDYLMCBHQF-UHFFFAOYSA-N 2 1 335.452 1.578 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264311908 139396090 /nfs/dbraw/zinc/39/60/90/139396090.db2.gz LZHKQDQELHAYJM-SFHVURJKSA-N 2 1 346.519 1.679 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000415910983 304284852 /nfs/dbraw/zinc/28/48/52/304284852.db2.gz CSWZIODKZOWHHH-MRXNPFEDSA-N 2 1 347.507 1.944 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000270573414 140126388 /nfs/dbraw/zinc/12/63/88/140126388.db2.gz VRLLPSPSQNWOHI-LJQANCHMSA-N 2 1 345.487 1.811 20 0 EDADMP CC[N@@H+](CC(C)(C)O)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000270695328 140149403 /nfs/dbraw/zinc/14/94/03/140149403.db2.gz DIMZAWSCQYYNOU-WMZOPIPTSA-N 2 1 347.503 1.858 20 0 EDADMP CC[NH+](CC(C)(C)O)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000270695328 140149405 /nfs/dbraw/zinc/14/94/05/140149405.db2.gz DIMZAWSCQYYNOU-WMZOPIPTSA-N 2 1 347.503 1.858 20 0 EDADMP CC[NH+](CC(C)(C)O)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000270695328 140149408 /nfs/dbraw/zinc/14/94/08/140149408.db2.gz DIMZAWSCQYYNOU-WMZOPIPTSA-N 2 1 347.503 1.858 20 0 EDADMP Cc1cc(N2CCC(NC(=O)NC[C@@H]3CCC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000333576575 141339835 /nfs/dbraw/zinc/33/98/35/141339835.db2.gz NBBQATHHBJQKNY-OAHLLOKOSA-N 2 1 346.479 1.361 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000333742814 141370840 /nfs/dbraw/zinc/37/08/40/141370840.db2.gz XVKWJNYHSWGJOQ-HOTGVXAUSA-N 2 1 331.464 1.610 20 0 EDADMP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000333751798 141373096 /nfs/dbraw/zinc/37/30/96/141373096.db2.gz ZDDZFHNLMFNIRK-HOCLYGCPSA-N 2 1 334.468 1.165 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000333945126 141415320 /nfs/dbraw/zinc/41/53/20/141415320.db2.gz SMYCPYDUWREKCU-WBVHZDCISA-N 2 1 344.459 1.206 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000333948065 141415688 /nfs/dbraw/zinc/41/56/88/141415688.db2.gz WAYBPHUUWMLVKR-GOSISDBHSA-N 2 1 349.454 1.389 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)CC1 ZINC000343549865 142857555 /nfs/dbraw/zinc/85/75/55/142857555.db2.gz MBHPZYPXSGKQIG-VQIMIIECSA-N 2 1 345.487 1.876 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@H]3CCCOC3)c2)C1 ZINC000344405011 142962128 /nfs/dbraw/zinc/96/21/28/142962128.db2.gz GDSWIZHIBKTCLZ-MOPGFXCFSA-N 2 1 345.487 1.900 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@H](CC)C1 ZINC000345563495 143106201 /nfs/dbraw/zinc/10/62/01/143106201.db2.gz LWLWDROEARXYNI-JKSUJKDBSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000345563495 143106202 /nfs/dbraw/zinc/10/62/02/143106202.db2.gz LWLWDROEARXYNI-JKSUJKDBSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000345563495 143106203 /nfs/dbraw/zinc/10/62/03/143106203.db2.gz LWLWDROEARXYNI-JKSUJKDBSA-N 2 1 328.501 1.205 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)c2ccnc(N3CCN(C)CC3)c2)C[C@@H]1C ZINC000345897462 143144548 /nfs/dbraw/zinc/14/45/48/143144548.db2.gz BNFBQFWOGWYLOB-HOTGVXAUSA-N 2 1 345.491 1.388 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000345897462 143144550 /nfs/dbraw/zinc/14/45/50/143144550.db2.gz BNFBQFWOGWYLOB-HOTGVXAUSA-N 2 1 345.491 1.388 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@@H]1C ZINC000345916414 143146762 /nfs/dbraw/zinc/14/67/62/143146762.db2.gz IYYYPQOBDRTOCN-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346252641 143183879 /nfs/dbraw/zinc/18/38/79/143183879.db2.gz LPPKIDAYVWDXBH-BBWFWOEESA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346252641 143183880 /nfs/dbraw/zinc/18/38/80/143183880.db2.gz LPPKIDAYVWDXBH-BBWFWOEESA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346252641 143183881 /nfs/dbraw/zinc/18/38/81/143183881.db2.gz LPPKIDAYVWDXBH-BBWFWOEESA-N 2 1 339.524 1.968 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000346533949 143214433 /nfs/dbraw/zinc/21/44/33/143214433.db2.gz USSHBWDNTGMGQZ-TXCZRRACSA-N 2 1 331.464 1.958 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COc1ccccc1 ZINC000346619474 143222805 /nfs/dbraw/zinc/22/28/05/143222805.db2.gz JLCRAMLDWFTKRS-QGZVFWFLSA-N 2 1 333.476 1.940 20 0 EDADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)s2)o1 ZINC000347024904 143273113 /nfs/dbraw/zinc/27/31/13/143273113.db2.gz ROAWRCMIANLGPV-ZDUSSCGKSA-N 2 1 348.472 1.998 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000347069104 143278664 /nfs/dbraw/zinc/27/86/64/143278664.db2.gz OBIWWUUBGICMAZ-CYBMUJFWSA-N 2 1 345.422 1.503 20 0 EDADMP C[C@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000347089419 143281248 /nfs/dbraw/zinc/28/12/48/143281248.db2.gz KWWTXEQHARJJGI-QFBILLFUSA-N 2 1 345.487 1.810 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000347255859 143300792 /nfs/dbraw/zinc/30/07/92/143300792.db2.gz KWLFFUFMGHSNMZ-UHFFFAOYSA-N 2 1 339.528 1.140 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NCCC[NH+](C(C)C)C(C)C)[N@@H+](C)C1 ZINC000347327347 143309037 /nfs/dbraw/zinc/30/90/37/143309037.db2.gz MUIXWZNRAMHMOI-SJORKVTESA-N 2 1 342.528 1.856 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000352621272 149088693 /nfs/dbraw/zinc/08/86/93/149088693.db2.gz AALYHYAGBJOEDG-UHFFFAOYSA-N 2 1 328.501 1.253 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCO[C@H](C)C3)CC2)C1 ZINC000352691093 149118152 /nfs/dbraw/zinc/11/81/52/149118152.db2.gz IRHLXZMAOFIXGP-CEXWTWQISA-N 2 1 339.524 1.528 20 0 EDADMP CNC(=O)c1cccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352754147 149150912 /nfs/dbraw/zinc/15/09/12/149150912.db2.gz GVUOORHWKNEBNF-UHFFFAOYSA-N 2 1 332.473 1.897 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000353113453 149291904 /nfs/dbraw/zinc/29/19/04/149291904.db2.gz QNWDSPYNNREHKC-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000353113453 149291906 /nfs/dbraw/zinc/29/19/06/149291906.db2.gz QNWDSPYNNREHKC-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP Cc1[nH]nc2ncc(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc12 ZINC000353360906 149379557 /nfs/dbraw/zinc/37/95/57/149379557.db2.gz NRMCBMQWJGYHFC-ZDUSSCGKSA-N 2 1 331.464 1.791 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)C1 ZINC000353366527 149381186 /nfs/dbraw/zinc/38/11/86/149381186.db2.gz LPPZPXKMWAZPKN-OWCLPIDISA-N 2 1 342.528 1.449 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354948202 150049674 /nfs/dbraw/zinc/04/96/74/150049674.db2.gz QJUILELJDZKPPA-WMZOPIPTSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@H](CCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1CCCCC1 ZINC000355085966 150109777 /nfs/dbraw/zinc/10/97/77/150109777.db2.gz WWQOARREIZHWOM-IKGGRYGDSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000355485601 150288392 /nfs/dbraw/zinc/28/83/92/150288392.db2.gz ZAGZSKJMOXBRAU-INIZCTEOSA-N 2 1 348.491 1.863 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NCC[C@@H](C)[NH3+])cc2)CC1 ZINC000416986103 304361893 /nfs/dbraw/zinc/36/18/93/304361893.db2.gz ISUZWVWJBIFVPV-MRXNPFEDSA-N 2 1 347.507 1.361 20 0 EDADMP CC[C@@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1C[C@H](C)O ZINC000355625999 150342243 /nfs/dbraw/zinc/34/22/43/150342243.db2.gz WJAUTTCDZGEXLD-GVDBMIGSSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000417040303 304364916 /nfs/dbraw/zinc/36/49/16/304364916.db2.gz KKGBYBNPMKJQRV-ZIAGYGMSSA-N 2 1 332.439 1.795 20 0 EDADMP [NH3+]C1CCN(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000417050110 304366752 /nfs/dbraw/zinc/36/67/52/304366752.db2.gz ITTCBZLJTKGFCS-UHFFFAOYSA-N 2 1 349.454 1.080 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000417046611 304366283 /nfs/dbraw/zinc/36/62/83/304366283.db2.gz ZTDDAKXBEMBEHZ-OWCLPIDISA-N 2 1 326.485 1.032 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC)CC1 ZINC000357624477 151088700 /nfs/dbraw/zinc/08/87/00/151088700.db2.gz MCCRKJBPBGLHFE-OAHLLOKOSA-N 2 1 340.512 1.214 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000357921048 151196906 /nfs/dbraw/zinc/19/69/06/151196906.db2.gz WBZTVCDRZURKAC-INIZCTEOSA-N 2 1 348.495 1.424 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CCO)C2)CC1 ZINC000357944598 151205521 /nfs/dbraw/zinc/20/55/21/151205521.db2.gz HYYOTHHFSGCNDU-ZWKOTPCHSA-N 2 1 345.487 1.596 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CCO)C2)CC1 ZINC000357944598 151205524 /nfs/dbraw/zinc/20/55/24/151205524.db2.gz HYYOTHHFSGCNDU-ZWKOTPCHSA-N 2 1 345.487 1.596 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)[C@@H](C)C1 ZINC000358141503 151286311 /nfs/dbraw/zinc/28/63/11/151286311.db2.gz PNTMUNNVQWKPNV-FUHWJXTLSA-N 2 1 336.524 1.251 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)CCCO1 ZINC000370105280 155325566 /nfs/dbraw/zinc/32/55/66/155325566.db2.gz MQRLETTWMGWNAV-IEBWSBKVSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)CCCO1 ZINC000370105280 155325568 /nfs/dbraw/zinc/32/55/68/155325568.db2.gz MQRLETTWMGWNAV-IEBWSBKVSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CCCO1 ZINC000370105280 155325571 /nfs/dbraw/zinc/32/55/71/155325571.db2.gz MQRLETTWMGWNAV-IEBWSBKVSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CCCO1 ZINC000370105280 155325573 /nfs/dbraw/zinc/32/55/73/155325573.db2.gz MQRLETTWMGWNAV-IEBWSBKVSA-N 2 1 345.487 1.878 20 0 EDADMP O=C(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NC(=O)NCc1ccccc1 ZINC000360536467 152085919 /nfs/dbraw/zinc/08/59/19/152085919.db2.gz VZZRTAQIMWWNRD-SFHVURJKSA-N 2 1 330.432 1.088 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCSC1 ZINC000360670659 152146334 /nfs/dbraw/zinc/14/63/34/152146334.db2.gz YLMAOGXBNQYCLE-RHSMWYFYSA-N 2 1 340.537 1.740 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000361215085 152337282 /nfs/dbraw/zinc/33/72/82/152337282.db2.gz MHNVVCHTRXMELM-LJQANCHMSA-N 2 1 342.487 1.289 20 0 EDADMP CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000361350384 152368691 /nfs/dbraw/zinc/36/86/91/152368691.db2.gz FNDQNIUQBGHHCI-CGTJXYLNSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000361350384 152368694 /nfs/dbraw/zinc/36/86/94/152368694.db2.gz FNDQNIUQBGHHCI-CGTJXYLNSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000361350384 152368696 /nfs/dbraw/zinc/36/86/96/152368696.db2.gz FNDQNIUQBGHHCI-CGTJXYLNSA-N 2 1 331.460 1.486 20 0 EDADMP CO[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000361350384 152368700 /nfs/dbraw/zinc/36/87/00/152368700.db2.gz FNDQNIUQBGHHCI-CGTJXYLNSA-N 2 1 331.460 1.486 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)C3CC[NH+](C)CC3)CC2)nc(C)[nH+]1 ZINC000361365209 152372894 /nfs/dbraw/zinc/37/28/94/152372894.db2.gz NZMVIOJTUFTYGV-UHFFFAOYSA-N 2 1 345.491 1.862 20 0 EDADMP c1ccc(C[NH+]2C[C@H]3CN(CC[N@H+]4CCCOCC4)C[C@@H]3C2)cc1 ZINC000361397926 152381176 /nfs/dbraw/zinc/38/11/76/152381176.db2.gz ZHCDOBNMJSQQAB-WOJBJXKFSA-N 2 1 329.488 1.773 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363596689 153009067 /nfs/dbraw/zinc/00/90/67/153009067.db2.gz GCURULYUORMKTF-KRWDZBQOSA-N 2 1 337.508 1.822 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363596689 153009068 /nfs/dbraw/zinc/00/90/68/153009068.db2.gz GCURULYUORMKTF-KRWDZBQOSA-N 2 1 337.508 1.822 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000364122848 153150884 /nfs/dbraw/zinc/15/08/84/153150884.db2.gz NTHLIPMZBWDSBE-WFXMFSGNSA-N 2 1 337.508 1.852 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C2([NH3+])Cc3ccccc3C2)C[C@@H](C)O1 ZINC000364235213 153181150 /nfs/dbraw/zinc/18/11/50/153181150.db2.gz ILJJNTOXPHVNMX-HUUCEWRRSA-N 2 1 345.487 1.487 20 0 EDADMP CC[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000364676267 153300919 /nfs/dbraw/zinc/30/09/19/153300919.db2.gz VPFSJKHCFSFAIQ-USXIJHARSA-N 2 1 335.496 1.602 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c2n1CCCC2 ZINC000370225730 155386346 /nfs/dbraw/zinc/38/63/46/155386346.db2.gz XSQANPIQIXOCCR-OCCSQVGLSA-N 2 1 331.464 1.952 20 0 EDADMP Cc1[nH+]c(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c2n1CCCC2 ZINC000370225730 155386348 /nfs/dbraw/zinc/38/63/48/155386348.db2.gz XSQANPIQIXOCCR-OCCSQVGLSA-N 2 1 331.464 1.952 20 0 EDADMP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000367191152 154035950 /nfs/dbraw/zinc/03/59/50/154035950.db2.gz JOFRTFGEXRPZFL-KSZLIROESA-N 2 1 327.488 1.901 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000367393113 154102550 /nfs/dbraw/zinc/10/25/50/154102550.db2.gz YRBJFCSYMBJYSQ-JFIYKMOQSA-N 2 1 330.476 1.927 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000367393113 154102554 /nfs/dbraw/zinc/10/25/54/154102554.db2.gz YRBJFCSYMBJYSQ-JFIYKMOQSA-N 2 1 330.476 1.927 20 0 EDADMP CCOCCNC(=O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000367489527 154145931 /nfs/dbraw/zinc/14/59/31/154145931.db2.gz NEHAACOWUONNGI-IEBWSBKVSA-N 2 1 333.476 1.812 20 0 EDADMP CCOCCNC(=O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000367489527 154145934 /nfs/dbraw/zinc/14/59/34/154145934.db2.gz NEHAACOWUONNGI-IEBWSBKVSA-N 2 1 333.476 1.812 20 0 EDADMP COCCCNC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367906507 154321109 /nfs/dbraw/zinc/32/11/09/154321109.db2.gz RGVODXBVJCSCIK-UHFFFAOYSA-N 2 1 334.464 1.383 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417326563 304392341 /nfs/dbraw/zinc/39/23/41/304392341.db2.gz KIXIOTJAQLDPFC-HOTGVXAUSA-N 2 1 340.512 1.646 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000574919644 306660084 /nfs/dbraw/zinc/66/00/84/306660084.db2.gz HRBABUGRWWTLAW-LMMKCTJWSA-N 2 1 344.503 1.701 20 0 EDADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C(C)C)C2)nc(C)[nH+]1 ZINC000371827741 156127689 /nfs/dbraw/zinc/12/76/89/156127689.db2.gz ZVBXAWBOGFPCRW-GOEBONIOSA-N 2 1 333.480 1.907 20 0 EDADMP C[NH+]1CCN(c2ncc(CNCC3([NH3+])CCCCCC3)cn2)CC1 ZINC000574972474 306661139 /nfs/dbraw/zinc/66/11/39/306661139.db2.gz IOCUGFBATLWCOL-UHFFFAOYSA-N 2 1 332.496 1.370 20 0 EDADMP O=S(=O)(CC[NH+]1CC[C@@H](C2CC2)C1)CC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000372334845 156339889 /nfs/dbraw/zinc/33/98/89/156339889.db2.gz SYNFVWAUFUBBCD-QZTJIDSGSA-N 2 1 340.533 1.865 20 0 EDADMP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000372438555 156390451 /nfs/dbraw/zinc/39/04/51/156390451.db2.gz QIVWNDVUZCQKFK-CEXWTWQISA-N 2 1 343.471 1.630 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(CC(O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000373899147 157055021 /nfs/dbraw/zinc/05/50/21/157055021.db2.gz UTJZBBJTXUIIEX-QZTJIDSGSA-N 3 1 340.556 1.180 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(CC(O)CN2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000373899147 157055027 /nfs/dbraw/zinc/05/50/27/157055027.db2.gz UTJZBBJTXUIIEX-QZTJIDSGSA-N 2 1 340.556 1.180 20 0 EDADMP COCc1nc(C)cc(N2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000374253513 157213634 /nfs/dbraw/zinc/21/36/34/157213634.db2.gz IKBAHWGCWWMICP-HNNXBMFYSA-N 2 1 333.480 1.536 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374772832 157395847 /nfs/dbraw/zinc/39/58/47/157395847.db2.gz BZDHDYMKWKJTHC-UHFFFAOYSA-N 2 1 340.493 1.472 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374772832 157395853 /nfs/dbraw/zinc/39/58/53/157395853.db2.gz BZDHDYMKWKJTHC-UHFFFAOYSA-N 2 1 340.493 1.472 20 0 EDADMP COc1ccnc(N2CCCN(CC[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000378158434 158096236 /nfs/dbraw/zinc/09/62/36/158096236.db2.gz FIDVRTUIGINZRX-INIZCTEOSA-N 2 1 333.480 1.872 20 0 EDADMP COc1ccnc(N2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)CC2)n1 ZINC000378158434 158096238 /nfs/dbraw/zinc/09/62/38/158096238.db2.gz FIDVRTUIGINZRX-INIZCTEOSA-N 2 1 333.480 1.872 20 0 EDADMP COc1ccnc(N2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)CC2)n1 ZINC000378158434 158096240 /nfs/dbraw/zinc/09/62/40/158096240.db2.gz FIDVRTUIGINZRX-INIZCTEOSA-N 2 1 333.480 1.872 20 0 EDADMP COc1ccnc(N2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000378158434 158096242 /nfs/dbraw/zinc/09/62/42/158096242.db2.gz FIDVRTUIGINZRX-INIZCTEOSA-N 2 1 333.480 1.872 20 0 EDADMP COc1ccnc(N2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000378158434 158096243 /nfs/dbraw/zinc/09/62/43/158096243.db2.gz FIDVRTUIGINZRX-INIZCTEOSA-N 2 1 333.480 1.872 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCCS(=O)(=O)C3)C2)nc(C)[nH+]1 ZINC000378479162 158185840 /nfs/dbraw/zinc/18/58/40/158185840.db2.gz VHYWVBFBTPCBKB-GJZGRUSLSA-N 2 1 338.477 1.229 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000352208910 162051898 /nfs/dbraw/zinc/05/18/98/162051898.db2.gz VXURNLJAQBHRCL-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP COCCCOc1cccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000352534973 162237255 /nfs/dbraw/zinc/23/72/55/162237255.db2.gz KSTOEHLZROSTNT-SFHVURJKSA-N 2 1 333.476 1.581 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287999006 292536577 /nfs/dbraw/zinc/53/65/77/292536577.db2.gz LHANHVZTHOUEND-FUHWJXTLSA-N 2 1 348.491 1.651 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000074370959 287270029 /nfs/dbraw/zinc/27/00/29/287270029.db2.gz BDOJVUHDCAKKCM-MRXNPFEDSA-N 2 1 340.512 1.376 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)N2CCOCC2)C1 ZINC000247115006 287274748 /nfs/dbraw/zinc/27/47/48/287274748.db2.gz YIMQFDDSNWMOSZ-MSOLQXFVSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000247115006 287274752 /nfs/dbraw/zinc/27/47/52/287274752.db2.gz YIMQFDDSNWMOSZ-MSOLQXFVSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000247115006 287274755 /nfs/dbraw/zinc/27/47/55/287274755.db2.gz YIMQFDDSNWMOSZ-MSOLQXFVSA-N 2 1 337.508 1.822 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCN2CCOCC2)CC1 ZINC000075677749 287278307 /nfs/dbraw/zinc/27/83/07/287278307.db2.gz QADOANKIOOVGOP-KDURUIRLSA-N 2 1 338.540 1.199 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000079733289 287302518 /nfs/dbraw/zinc/30/25/18/287302518.db2.gz NSJAXYHNDWBLQP-QZTJIDSGSA-N 2 1 344.503 1.943 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000081095040 287311525 /nfs/dbraw/zinc/31/15/25/287311525.db2.gz OMNHYFKPHUNCSV-AEFFLSMTSA-N 2 1 338.540 1.638 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000418401315 304491700 /nfs/dbraw/zinc/49/17/00/304491700.db2.gz HVNWZGQPGVXOSE-WCVJEAGWSA-N 2 1 326.485 1.253 20 0 EDADMP CC[N@@H+](CCC(=O)OC)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000274675857 268181181 /nfs/dbraw/zinc/18/11/81/268181181.db2.gz UUVJBPMOJFQWJO-MRXNPFEDSA-N 2 1 335.448 1.291 20 0 EDADMP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000274954648 268248815 /nfs/dbraw/zinc/24/88/15/268248815.db2.gz OOTQXTCGDRHPPX-GOSISDBHSA-N 2 1 330.476 1.854 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000274954648 268248817 /nfs/dbraw/zinc/24/88/17/268248817.db2.gz OOTQXTCGDRHPPX-GOSISDBHSA-N 2 1 330.476 1.854 20 0 EDADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000275313552 268321172 /nfs/dbraw/zinc/32/11/72/268321172.db2.gz RTGZWVNYZYYGHV-IBGZPJMESA-N 2 1 344.503 1.751 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000275313552 268321174 /nfs/dbraw/zinc/32/11/74/268321174.db2.gz RTGZWVNYZYYGHV-IBGZPJMESA-N 2 1 344.503 1.751 20 0 EDADMP COCCO[C@@H]1C[C@H](CO)CN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000278364187 273261503 /nfs/dbraw/zinc/26/15/03/273261503.db2.gz RVMTVXTWDXCKNH-DLBZAZTESA-N 2 1 346.431 1.113 20 0 EDADMP Cc1ccc(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000283015711 273759252 /nfs/dbraw/zinc/75/92/52/273759252.db2.gz GNJVWDSCBCVUSR-UHFFFAOYSA-N 2 1 330.476 1.281 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H]3CCCS(=O)(=O)C3)C2)[nH+]1 ZINC000284270935 274141031 /nfs/dbraw/zinc/14/10/31/274141031.db2.gz XKWNYNKRTPONGI-HZPDHXFCSA-N 2 1 337.489 1.949 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C2)[nH+]1 ZINC000284270935 274141033 /nfs/dbraw/zinc/14/10/33/274141033.db2.gz XKWNYNKRTPONGI-HZPDHXFCSA-N 2 1 337.489 1.949 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284674112 274289239 /nfs/dbraw/zinc/28/92/39/274289239.db2.gz MQWBIQXRJFVJPQ-SFHVURJKSA-N 2 1 331.460 1.870 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H](C)C[NH3+] ZINC000417731920 274486505 /nfs/dbraw/zinc/48/65/05/274486505.db2.gz OBXSJYUXYKCLAO-JKSUJKDBSA-N 2 1 333.480 1.091 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H](C)CCN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000354407862 276013501 /nfs/dbraw/zinc/01/35/01/276013501.db2.gz KTTGFVAYQFNHCT-QZTJIDSGSA-N 2 1 338.540 1.639 20 0 EDADMP CC[NH+]1CCC([NH2+][C@H](C)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000338998440 276151824 /nfs/dbraw/zinc/15/18/24/276151824.db2.gz MEBOBFSZJIWIRE-OAHLLOKOSA-N 2 1 339.505 1.817 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)c1cccn1C ZINC000352824627 276170509 /nfs/dbraw/zinc/17/05/09/276170509.db2.gz ABMJOHNXMNQCMK-OAHLLOKOSA-N 2 1 334.464 1.082 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000424333744 276315798 /nfs/dbraw/zinc/31/57/98/276315798.db2.gz WGHNDUCKJUNISI-IKGGRYGDSA-N 2 1 325.497 1.581 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)CC1 ZINC000374572899 277089034 /nfs/dbraw/zinc/08/90/34/277089034.db2.gz ROSNAZKYKDVANI-HXUWFJFHSA-N 2 1 345.487 1.220 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@]2(CO)Cc2ccccc2)CC1 ZINC000374572899 277089036 /nfs/dbraw/zinc/08/90/36/277089036.db2.gz ROSNAZKYKDVANI-HXUWFJFHSA-N 2 1 345.487 1.220 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC([C@H]4CCOC4)CC3)cn2)CC1 ZINC000371808524 277114549 /nfs/dbraw/zinc/11/45/49/277114549.db2.gz JCBPLHIHJHSYHF-SFHVURJKSA-N 2 1 345.491 1.477 20 0 EDADMP C[NH2+]CCCC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000262659834 277266584 /nfs/dbraw/zinc/26/65/84/277266584.db2.gz WUAWGAIFKZYCRV-SFHVURJKSA-N 2 1 332.492 1.481 20 0 EDADMP C[NH2+]CCCC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000262659834 277266585 /nfs/dbraw/zinc/26/65/85/277266585.db2.gz WUAWGAIFKZYCRV-SFHVURJKSA-N 2 1 332.492 1.481 20 0 EDADMP C[NH2+]CCCC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000262659834 277266586 /nfs/dbraw/zinc/26/65/86/277266586.db2.gz WUAWGAIFKZYCRV-SFHVURJKSA-N 2 1 332.492 1.481 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000337655947 277398386 /nfs/dbraw/zinc/39/83/86/277398386.db2.gz NDVLNYOYCICHNE-RDJZCZTQSA-N 2 1 342.553 1.843 20 0 EDADMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000443792133 278299908 /nfs/dbraw/zinc/29/99/08/278299908.db2.gz SORVNOSCDRNHPP-VYDXJSESSA-N 2 1 333.480 1.210 20 0 EDADMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000443792133 278299909 /nfs/dbraw/zinc/29/99/09/278299909.db2.gz SORVNOSCDRNHPP-VYDXJSESSA-N 2 1 333.480 1.210 20 0 EDADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000128600965 278344607 /nfs/dbraw/zinc/34/46/07/278344607.db2.gz QUPNLXVJOWRPCH-MRXNPFEDSA-N 2 1 343.479 1.341 20 0 EDADMP CC(C)C[C@@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000336871357 278988371 /nfs/dbraw/zinc/98/83/71/278988371.db2.gz FFPNJFZBBOZMTR-JKSUJKDBSA-N 2 1 325.497 1.628 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370609161 279098634 /nfs/dbraw/zinc/09/86/34/279098634.db2.gz VPTYQKNGMFSDLG-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000339944509 279116459 /nfs/dbraw/zinc/11/64/59/279116459.db2.gz BRPXJGQWZVWVSD-OAHLLOKOSA-N 2 1 327.517 1.042 20 0 EDADMP CC(C)C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2)[NH+]1CCOCC1 ZINC000357196072 279161702 /nfs/dbraw/zinc/16/17/02/279161702.db2.gz YUNWSVAXCVSRHW-ZHALLVOQSA-N 2 1 337.508 1.629 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCO[C@H](C[NH3+])C2)cc1)C1CC1 ZINC000424026418 279234754 /nfs/dbraw/zinc/23/47/54/279234754.db2.gz UOPKFYIFIOAQKA-GOSISDBHSA-N 2 1 331.460 1.861 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000342566351 279302624 /nfs/dbraw/zinc/30/26/24/279302624.db2.gz GDCDXQZXBTZVNW-HZPDHXFCSA-N 2 1 347.507 1.704 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000342566351 279302626 /nfs/dbraw/zinc/30/26/26/279302626.db2.gz GDCDXQZXBTZVNW-HZPDHXFCSA-N 2 1 347.507 1.704 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000342566351 279302627 /nfs/dbraw/zinc/30/26/27/279302627.db2.gz GDCDXQZXBTZVNW-HZPDHXFCSA-N 2 1 347.507 1.704 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000341047529 279333893 /nfs/dbraw/zinc/33/38/93/279333893.db2.gz KEYMEXQZMHTTNU-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000341047529 279333895 /nfs/dbraw/zinc/33/38/95/279333895.db2.gz KEYMEXQZMHTTNU-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000341047529 279333896 /nfs/dbraw/zinc/33/38/96/279333896.db2.gz KEYMEXQZMHTTNU-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000492261224 279369526 /nfs/dbraw/zinc/36/95/26/279369526.db2.gz VJFARXOUKKYCSN-JKSUJKDBSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000358959118 279379608 /nfs/dbraw/zinc/37/96/08/279379608.db2.gz QAGUNWFRZLKLAE-HNNXBMFYSA-N 2 1 327.517 1.040 20 0 EDADMP CC[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)[C@@H]1c1ccccc1 ZINC000356676999 279394473 /nfs/dbraw/zinc/39/44/73/279394473.db2.gz GXJJSWBNEWORGD-JQHSSLGASA-N 2 1 348.491 1.698 20 0 EDADMP CC[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)[C@@H]1c1ccccc1 ZINC000356676999 279394474 /nfs/dbraw/zinc/39/44/74/279394474.db2.gz GXJJSWBNEWORGD-JQHSSLGASA-N 2 1 348.491 1.698 20 0 EDADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000359610073 280176418 /nfs/dbraw/zinc/17/64/18/280176418.db2.gz ZWMZRIMPGXDBLE-QZTJIDSGSA-N 2 1 333.476 1.456 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000360345635 280321806 /nfs/dbraw/zinc/32/18/06/280321806.db2.gz RANLVHKJEUBJTO-KRWDZBQOSA-N 2 1 337.508 1.866 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000287478785 288246873 /nfs/dbraw/zinc/24/68/73/288246873.db2.gz WSQKQDNCHZTKCK-NVXWUHKLSA-N 2 1 336.480 1.555 20 0 EDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000287758676 288316047 /nfs/dbraw/zinc/31/60/47/288316047.db2.gz QSHYDOYUDVUVCY-MAUKXSAKSA-N 2 1 329.448 1.765 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCOCC1 ZINC000073235800 282039091 /nfs/dbraw/zinc/03/90/91/282039091.db2.gz WCHONTPAMTUGDY-HNNXBMFYSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](n2cccn2)C1)c1ccccc1 ZINC000291376203 289046829 /nfs/dbraw/zinc/04/68/29/289046829.db2.gz APJUOBYOSNCBTQ-ROUUACIJSA-N 2 1 341.459 1.549 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](n2cccn2)C1)c1ccccc1 ZINC000291376203 289046830 /nfs/dbraw/zinc/04/68/30/289046830.db2.gz APJUOBYOSNCBTQ-ROUUACIJSA-N 2 1 341.459 1.549 20 0 EDADMP C[C@@H]1[C@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000343559853 289057663 /nfs/dbraw/zinc/05/76/63/289057663.db2.gz PQKQODZMTJBJJP-BHIYHBOVSA-N 2 1 344.503 1.574 20 0 EDADMP C[C@@H]1[C@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000343559853 289057667 /nfs/dbraw/zinc/05/76/67/289057667.db2.gz PQKQODZMTJBJJP-BHIYHBOVSA-N 2 1 344.503 1.574 20 0 EDADMP C[NH+](C)[C@]1(C(=O)NCC2(C)CC[NH2+]CC2)CCOc2ccccc21 ZINC000363652985 289397214 /nfs/dbraw/zinc/39/72/14/289397214.db2.gz SGGAEORNVGTWKN-LJQANCHMSA-N 2 1 331.460 1.732 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)C2)C1 ZINC000496840239 290004610 /nfs/dbraw/zinc/00/46/10/290004610.db2.gz ZZGZTGOGINZAJC-OALUTQOASA-N 2 1 348.491 1.278 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(S(C)(=O)=O)CC2)[C@@H]2CCC[C@H]21 ZINC000367638872 290216239 /nfs/dbraw/zinc/21/62/39/290216239.db2.gz RKPKODYERAUXSM-HRCADAONSA-N 2 1 329.510 1.120 20 0 EDADMP Cn1cc(CN2C[C@H](F)C[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000354851089 294238389 /nfs/dbraw/zinc/23/83/89/294238389.db2.gz IKUQQVJYQDGUMI-VSZNYVQBSA-N 2 1 335.471 1.549 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)NCC[NH+](C)C)CC[N@H+]2C2CC2)c1 ZINC000183765764 295321024 /nfs/dbraw/zinc/32/10/24/295321024.db2.gz BYALXSUEMMWYAL-QZTJIDSGSA-N 2 1 346.475 1.834 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000418593481 304515981 /nfs/dbraw/zinc/51/59/81/304515981.db2.gz RYVOGWFTLNJTHQ-FXUDXRNXSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000101653234 298146137 /nfs/dbraw/zinc/14/61/37/298146137.db2.gz XWROEWNHLJXZHS-BRWVUGGUSA-N 2 1 338.540 1.495 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329523 298187408 /nfs/dbraw/zinc/18/74/08/298187408.db2.gz ONDFPSRYJBCDAE-NCOADZHNSA-N 2 1 337.508 1.757 20 0 EDADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329523 298187410 /nfs/dbraw/zinc/18/74/10/298187410.db2.gz ONDFPSRYJBCDAE-NCOADZHNSA-N 2 1 337.508 1.757 20 0 EDADMP C[NH2+]CCCN(C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000420390369 304754456 /nfs/dbraw/zinc/75/44/56/304754456.db2.gz QKZGBYUWZQUBPQ-UHFFFAOYSA-N 2 1 332.492 1.181 20 0 EDADMP CN(CC[N@H+](C)Cc1ccc2c(c1)NC(=O)CO2)C1CC[NH+](C)CC1 ZINC000293833136 303026066 /nfs/dbraw/zinc/02/60/66/303026066.db2.gz GSOIXYNZYOOSLQ-UHFFFAOYSA-N 2 1 346.475 1.475 20 0 EDADMP CN(CC[N@@H+](C)Cc1ccc2c(c1)NC(=O)CO2)C1CC[NH+](C)CC1 ZINC000293833136 303026068 /nfs/dbraw/zinc/02/60/68/303026068.db2.gz GSOIXYNZYOOSLQ-UHFFFAOYSA-N 2 1 346.475 1.475 20 0 EDADMP CSC[C@H](O)C[N@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000296028973 303290110 /nfs/dbraw/zinc/29/01/10/303290110.db2.gz RXCRUETZULECAV-HUUCEWRRSA-N 2 1 337.489 1.859 20 0 EDADMP O=C(NCCN1CCC(O)CC1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000296936111 303348585 /nfs/dbraw/zinc/34/85/85/303348585.db2.gz MPWINILWGTVULB-SFHVURJKSA-N 2 1 349.450 1.363 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC000364828096 303757383 /nfs/dbraw/zinc/75/73/83/303757383.db2.gz CXZVSLYJFRFMOR-KRWDZBQOSA-N 2 1 335.492 1.480 20 0 EDADMP C[C@@]12CC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C[C@@H]1C2(F)F ZINC000428724926 305015752 /nfs/dbraw/zinc/01/57/52/305015752.db2.gz OGJITUOPPWDGAY-GOEBONIOSA-N 2 1 327.419 1.707 20 0 EDADMP C[C@@]12CC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C[C@@H]1C2(F)F ZINC000428724926 305015753 /nfs/dbraw/zinc/01/57/53/305015753.db2.gz OGJITUOPPWDGAY-GOEBONIOSA-N 2 1 327.419 1.707 20 0 EDADMP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430602435 305058112 /nfs/dbraw/zinc/05/81/12/305058112.db2.gz HJUKAJXPRADTDF-UONOGXRCSA-N 2 1 335.452 1.398 20 0 EDADMP CC(C)c1noc([C@H](C)[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430602435 305058113 /nfs/dbraw/zinc/05/81/13/305058113.db2.gz HJUKAJXPRADTDF-UONOGXRCSA-N 2 1 335.452 1.398 20 0 EDADMP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000430604401 305058190 /nfs/dbraw/zinc/05/81/90/305058190.db2.gz NBAHOXYMRILRQA-CQSZACIVSA-N 2 1 326.444 1.723 20 0 EDADMP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000430604401 305058191 /nfs/dbraw/zinc/05/81/91/305058191.db2.gz NBAHOXYMRILRQA-CQSZACIVSA-N 2 1 326.444 1.723 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN(C)C2CC[NH2+]CC2)CC1 ZINC000430608763 305058636 /nfs/dbraw/zinc/05/86/36/305058636.db2.gz GCEZBFNGTJYYLK-UHFFFAOYSA-N 2 1 344.503 1.323 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CC[C@H]([NH3+])C2)CC1 ZINC000430638339 305060869 /nfs/dbraw/zinc/06/08/69/305060869.db2.gz FKLDSCIFEKGPNY-SFHVURJKSA-N 2 1 330.476 1.062 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000430707820 305063063 /nfs/dbraw/zinc/06/30/63/305063063.db2.gz HOMYMZKAAOJIHL-HZPDHXFCSA-N 2 1 325.497 1.772 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@H](N)c2ccccc2OC)CC[N@H+]1CCOC ZINC000430719962 305063212 /nfs/dbraw/zinc/06/32/12/305063212.db2.gz LJIBMLGWKVAMCW-YOEHRIQHSA-N 2 1 335.448 1.264 20 0 EDADMP COCC[C@]1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000430771115 305064586 /nfs/dbraw/zinc/06/45/86/305064586.db2.gz BGNULFIIJCFPAO-AZUAARDMSA-N 2 1 345.487 1.783 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430900349 305067319 /nfs/dbraw/zinc/06/73/19/305067319.db2.gz NGMMBLWLLGKQNA-UHFFFAOYSA-N 2 1 331.460 1.345 20 0 EDADMP CC(C)(C[NH3+])C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000431011373 305072782 /nfs/dbraw/zinc/07/27/82/305072782.db2.gz UOYMFRIKYZDAGN-UHFFFAOYSA-N 2 1 332.492 1.295 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000433388135 305107444 /nfs/dbraw/zinc/10/74/44/305107444.db2.gz LQFIWGNWVUTOEW-HZPDHXFCSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000434279857 305119485 /nfs/dbraw/zinc/11/94/85/305119485.db2.gz KGNRBAKDZDIWKR-HNNXBMFYSA-N 2 1 342.528 1.715 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000434279857 305119486 /nfs/dbraw/zinc/11/94/86/305119486.db2.gz KGNRBAKDZDIWKR-HNNXBMFYSA-N 2 1 342.528 1.715 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1OC ZINC000435376799 305139317 /nfs/dbraw/zinc/13/93/17/305139317.db2.gz UYAXXKOZFIYEAY-MRXNPFEDSA-N 2 1 349.475 1.642 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1OC ZINC000435376799 305139318 /nfs/dbraw/zinc/13/93/18/305139318.db2.gz UYAXXKOZFIYEAY-MRXNPFEDSA-N 2 1 349.475 1.642 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435569184 305142647 /nfs/dbraw/zinc/14/26/47/305142647.db2.gz JDDJEOZKYIBDEO-AWEZNQCLSA-N 2 1 336.505 1.954 20 0 EDADMP CC[N@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000435626163 305144033 /nfs/dbraw/zinc/14/40/33/305144033.db2.gz JSUQHQKODJUVAQ-OWCLPIDISA-N 2 1 338.496 1.855 20 0 EDADMP CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000435626163 305144034 /nfs/dbraw/zinc/14/40/34/305144034.db2.gz JSUQHQKODJUVAQ-OWCLPIDISA-N 2 1 338.496 1.855 20 0 EDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)[C@@H]1C ZINC000441335858 305221232 /nfs/dbraw/zinc/22/12/32/305221232.db2.gz RCQFHHKTESUYKL-PMPSAXMXSA-N 2 1 325.497 1.580 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000444265420 305244989 /nfs/dbraw/zinc/24/49/89/305244989.db2.gz FJHFITKBLKXMSX-QUCCMNQESA-N 2 1 342.487 1.050 20 0 EDADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000446358667 305263687 /nfs/dbraw/zinc/26/36/87/305263687.db2.gz ASVHNJRUGNMYCZ-AXVVYFOYSA-N 2 1 349.519 1.900 20 0 EDADMP CN(CC(O)C[N@H+](C)CC1(N(C)C)CCC1)CC1([NH+](C)C)CCC1 ZINC000447262028 305276598 /nfs/dbraw/zinc/27/65/98/305276598.db2.gz CBBNGZAVNLLYQN-UHFFFAOYSA-N 2 1 340.556 1.180 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000447435999 305280378 /nfs/dbraw/zinc/28/03/78/305280378.db2.gz SQWTUYUYOAGTRV-RVKKMQEKSA-N 2 1 349.475 1.276 20 0 EDADMP CO[C@@H](C[NH3+])CC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000447435999 305280379 /nfs/dbraw/zinc/28/03/79/305280379.db2.gz SQWTUYUYOAGTRV-RVKKMQEKSA-N 2 1 349.475 1.276 20 0 EDADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000448907627 305303516 /nfs/dbraw/zinc/30/35/16/305303516.db2.gz DIKQKGUXXFINJV-QGZVFWFLSA-N 2 1 343.431 1.450 20 0 EDADMP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000449527754 305312883 /nfs/dbraw/zinc/31/28/83/305312883.db2.gz KSVJGDZLSFXQSB-UHFFFAOYSA-N 3 1 334.512 1.438 20 0 EDADMP [NH3+][C@H]1CCC[C@@H](CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000514672650 305701904 /nfs/dbraw/zinc/70/19/04/305701904.db2.gz YAPXVFYLWYGJAI-MOPGFXCFSA-N 2 1 344.503 1.438 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000414913518 447355334 /nfs/dbraw/zinc/35/53/34/447355334.db2.gz WDBVAEAGCSUVFN-OAHLLOKOSA-N 2 1 332.448 1.145 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000414917512 447356298 /nfs/dbraw/zinc/35/62/98/447356298.db2.gz WBUMVYKEKMEIOC-INIZCTEOSA-N 2 1 330.432 1.041 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000414917512 447356311 /nfs/dbraw/zinc/35/63/11/447356311.db2.gz WBUMVYKEKMEIOC-INIZCTEOSA-N 2 1 330.432 1.041 20 0 EDADMP Cc1ncc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cn1 ZINC000521332500 305788194 /nfs/dbraw/zinc/78/81/94/305788194.db2.gz GPURDDLUGNUCOG-INIZCTEOSA-N 2 1 331.489 1.925 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000419705523 447362050 /nfs/dbraw/zinc/36/20/50/447362050.db2.gz ZWHPGBWCUPQLNS-CVEARBPZSA-N 2 1 340.512 1.247 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CCc3ccncc3)CC2)CC[N@H+]1C ZINC000377796792 447360808 /nfs/dbraw/zinc/36/08/08/447360808.db2.gz UUKZZKLBUYPKDG-WMZOPIPTSA-N 2 1 344.503 1.935 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000535824227 306017944 /nfs/dbraw/zinc/01/79/44/306017944.db2.gz MXJWFIAYWAZEEN-MDZRGWNJSA-N 2 1 331.460 1.174 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000535824227 306017945 /nfs/dbraw/zinc/01/79/45/306017945.db2.gz MXJWFIAYWAZEEN-MDZRGWNJSA-N 2 1 331.460 1.174 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000535824227 306017946 /nfs/dbraw/zinc/01/79/46/306017946.db2.gz MXJWFIAYWAZEEN-MDZRGWNJSA-N 2 1 331.460 1.174 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000535824227 306017947 /nfs/dbraw/zinc/01/79/47/306017947.db2.gz MXJWFIAYWAZEEN-MDZRGWNJSA-N 2 1 331.460 1.174 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000535989286 306018767 /nfs/dbraw/zinc/01/87/67/306018767.db2.gz QROBLDGMCGXYRH-CYBMUJFWSA-N 2 1 340.431 1.300 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H]1C ZINC000536553810 306022231 /nfs/dbraw/zinc/02/22/31/306022231.db2.gz JXFYSBFIQQZAOM-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000541896825 306049430 /nfs/dbraw/zinc/04/94/30/306049430.db2.gz HWANZTRJWSHBIW-OXJNMPFZSA-N 2 1 343.471 1.390 20 0 EDADMP C[C@H](NC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000541896825 306049431 /nfs/dbraw/zinc/04/94/31/306049431.db2.gz HWANZTRJWSHBIW-OXJNMPFZSA-N 2 1 343.471 1.390 20 0 EDADMP C[C@H](NC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000541896825 306049432 /nfs/dbraw/zinc/04/94/32/306049432.db2.gz HWANZTRJWSHBIW-OXJNMPFZSA-N 2 1 343.471 1.390 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)NCC1([NH+]2CCCC2)CCOCC1 ZINC000544637058 306077427 /nfs/dbraw/zinc/07/74/27/306077427.db2.gz JKLIPQCKEBBMQY-UHFFFAOYSA-N 2 1 346.475 1.523 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC(C[NH+]3CCOCC3)CC1)CC2 ZINC000553327661 306184234 /nfs/dbraw/zinc/18/42/34/306184234.db2.gz KCMMVHQBMUMGKO-QGZVFWFLSA-N 2 1 346.475 1.325 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000378123580 447402329 /nfs/dbraw/zinc/40/23/29/447402329.db2.gz ZLVZADDVLKMCIW-WMZOPIPTSA-N 2 1 347.507 1.828 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000458538496 447404611 /nfs/dbraw/zinc/40/46/11/447404611.db2.gz AABBWWFAQTTWOA-DSLXNQLJSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000458538496 447404613 /nfs/dbraw/zinc/40/46/13/447404613.db2.gz AABBWWFAQTTWOA-DSLXNQLJSA-N 2 1 342.487 1.995 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000378209536 447407759 /nfs/dbraw/zinc/40/77/59/447407759.db2.gz ZLWOHTLLYLOYDJ-KURKYZTESA-N 2 1 330.476 1.219 20 0 EDADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000419806240 447425110 /nfs/dbraw/zinc/42/51/10/447425110.db2.gz RCZDFCAKKYGEKU-HUUCEWRRSA-N 2 1 338.496 1.001 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCO[C@H](CC)C2)[C@@H](C)C1 ZINC000494453418 447437903 /nfs/dbraw/zinc/43/79/03/447437903.db2.gz KYGXDTDNUAQACC-OTWHNJEPSA-N 2 1 341.540 1.824 20 0 EDADMP CN(C)c1nc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc[nH+]1 ZINC000080248160 441154012 /nfs/dbraw/zinc/15/40/12/441154012.db2.gz HGFILYWPJXEIOD-UHFFFAOYSA-N 2 1 348.495 1.581 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000105099162 441231903 /nfs/dbraw/zinc/23/19/03/441231903.db2.gz OXQABNNONBZUID-GASCZTMLSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000105099162 441231905 /nfs/dbraw/zinc/23/19/05/441231905.db2.gz OXQABNNONBZUID-GASCZTMLSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+]1CCN(C)CC1 ZINC000105105801 441234988 /nfs/dbraw/zinc/23/49/88/441234988.db2.gz IQGWZKKOYCFCJP-DOTOQJQBSA-N 2 1 339.528 1.040 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000105105801 441234993 /nfs/dbraw/zinc/23/49/93/441234993.db2.gz IQGWZKKOYCFCJP-DOTOQJQBSA-N 2 1 339.528 1.040 20 0 EDADMP CC(C)[C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000105105801 441234998 /nfs/dbraw/zinc/23/49/98/441234998.db2.gz IQGWZKKOYCFCJP-DOTOQJQBSA-N 2 1 339.528 1.040 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCC(=O)NC(N)=O ZINC000081013196 441220067 /nfs/dbraw/zinc/22/00/67/441220067.db2.gz GTQAYZMBSZKHEU-HOCLYGCPSA-N 2 1 332.448 1.414 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCC(=O)NC(N)=O ZINC000081013196 441220069 /nfs/dbraw/zinc/22/00/69/441220069.db2.gz GTQAYZMBSZKHEU-HOCLYGCPSA-N 2 1 332.448 1.414 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCC(=O)NC(N)=O ZINC000081013196 441220074 /nfs/dbraw/zinc/22/00/74/441220074.db2.gz GTQAYZMBSZKHEU-HOCLYGCPSA-N 2 1 332.448 1.414 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCC(=O)NC(N)=O ZINC000081013196 441220076 /nfs/dbraw/zinc/22/00/76/441220076.db2.gz GTQAYZMBSZKHEU-HOCLYGCPSA-N 2 1 332.448 1.414 20 0 EDADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081264326 441246062 /nfs/dbraw/zinc/24/60/62/441246062.db2.gz IYPCJOYVWFHHCY-SFHVURJKSA-N 2 1 349.475 1.354 20 0 EDADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081264326 441246068 /nfs/dbraw/zinc/24/60/68/441246068.db2.gz IYPCJOYVWFHHCY-SFHVURJKSA-N 2 1 349.475 1.354 20 0 EDADMP C[C@H](O)CC[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000072714932 441254627 /nfs/dbraw/zinc/25/46/27/441254627.db2.gz AKNAUFMMOWRVAF-IRXDYDNUSA-N 2 1 347.503 1.858 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000112436537 441548126 /nfs/dbraw/zinc/54/81/26/441548126.db2.gz SMXUPYVJGIRJFC-KRWDZBQOSA-N 2 1 341.544 1.290 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000112436537 441548129 /nfs/dbraw/zinc/54/81/29/441548129.db2.gz SMXUPYVJGIRJFC-KRWDZBQOSA-N 2 1 341.544 1.290 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000112436537 441548133 /nfs/dbraw/zinc/54/81/33/441548133.db2.gz SMXUPYVJGIRJFC-KRWDZBQOSA-N 2 1 341.544 1.290 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000066125984 441505667 /nfs/dbraw/zinc/50/56/67/441505667.db2.gz AFPZDQCKEAJBAW-GOSISDBHSA-N 2 1 346.519 1.651 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000066125984 441505670 /nfs/dbraw/zinc/50/56/70/441505670.db2.gz AFPZDQCKEAJBAW-GOSISDBHSA-N 2 1 346.519 1.651 20 0 EDADMP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000113454724 441609865 /nfs/dbraw/zinc/60/98/65/441609865.db2.gz DSDFDUOTDSLDPQ-IEBWSBKVSA-N 2 1 344.503 1.385 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000113604595 441618020 /nfs/dbraw/zinc/61/80/20/441618020.db2.gz ATMOXBXXCSESGI-KRWDZBQOSA-N 2 1 340.512 1.661 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1 ZINC000114074697 441633933 /nfs/dbraw/zinc/63/39/33/441633933.db2.gz GUXYBGRLPNEEBY-KRWDZBQOSA-N 2 1 344.459 1.497 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1 ZINC000114074697 441633938 /nfs/dbraw/zinc/63/39/38/441633938.db2.gz GUXYBGRLPNEEBY-KRWDZBQOSA-N 2 1 344.459 1.497 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000114074697 441633940 /nfs/dbraw/zinc/63/39/40/441633940.db2.gz GUXYBGRLPNEEBY-KRWDZBQOSA-N 2 1 344.459 1.497 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000114074697 441633944 /nfs/dbraw/zinc/63/39/44/441633944.db2.gz GUXYBGRLPNEEBY-KRWDZBQOSA-N 2 1 344.459 1.497 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000068127265 441739146 /nfs/dbraw/zinc/73/91/46/441739146.db2.gz WUKKXDVDFGEVIQ-IAGOWNOFSA-N 2 1 331.460 1.984 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000068277481 441768281 /nfs/dbraw/zinc/76/82/81/441768281.db2.gz UIHOLANFPWRUEW-GOSISDBHSA-N 2 1 338.540 1.641 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+]C2(c3ccccc3)CC2)C1 ZINC000077378010 441768560 /nfs/dbraw/zinc/76/85/60/441768560.db2.gz SBKGEJCAWCVZDV-GOSISDBHSA-N 2 1 345.487 1.738 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000137512245 441772390 /nfs/dbraw/zinc/77/23/90/441772390.db2.gz MFQILNLSFIEFQR-HKUYNNGSSA-N 2 1 344.503 1.403 20 0 EDADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000173617287 441805027 /nfs/dbraw/zinc/80/50/27/441805027.db2.gz OEWRVAOWTKTNTQ-AWEZNQCLSA-N 2 1 338.496 1.996 20 0 EDADMP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cnccn1 ZINC000159342611 441805415 /nfs/dbraw/zinc/80/54/15/441805415.db2.gz BZUPNPCJNRPNTB-KRWDZBQOSA-N 2 1 325.460 1.945 20 0 EDADMP C[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[N@@H+](C)C1CC1 ZINC000077593417 441811219 /nfs/dbraw/zinc/81/12/19/441811219.db2.gz YARFJHHFMXRIPA-HUUCEWRRSA-N 2 1 338.496 1.269 20 0 EDADMP COCC[NH+]1CCC(N[C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000173645291 441812721 /nfs/dbraw/zinc/81/27/21/441812721.db2.gz ILQOJMFFMVJAEG-HZPDHXFCSA-N 2 1 333.476 1.953 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000116537850 441827455 /nfs/dbraw/zinc/82/74/55/441827455.db2.gz CQQJROVXGLOVQI-NJAFHUGGSA-N 2 1 345.491 1.685 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000116537850 441827461 /nfs/dbraw/zinc/82/74/61/441827461.db2.gz CQQJROVXGLOVQI-NJAFHUGGSA-N 2 1 345.491 1.685 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000116537850 441827466 /nfs/dbraw/zinc/82/74/66/441827466.db2.gz CQQJROVXGLOVQI-NJAFHUGGSA-N 2 1 345.491 1.685 20 0 EDADMP C[C@@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)N1CCN(C)CC1 ZINC000122171015 441837044 /nfs/dbraw/zinc/83/70/44/441837044.db2.gz KSKRTQKTYZWGGS-KRWDZBQOSA-N 2 1 344.503 1.187 20 0 EDADMP C[C@@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000122171015 441837047 /nfs/dbraw/zinc/83/70/47/441837047.db2.gz KSKRTQKTYZWGGS-KRWDZBQOSA-N 2 1 344.503 1.187 20 0 EDADMP C[C@@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000122171015 441837050 /nfs/dbraw/zinc/83/70/50/441837050.db2.gz KSKRTQKTYZWGGS-KRWDZBQOSA-N 2 1 344.503 1.187 20 0 EDADMP Cc1ccccc1CN1CCN(C(=O)CN2CCC[C@](C)(O)C2)CC1 ZINC000123856434 441902039 /nfs/dbraw/zinc/90/20/39/441902039.db2.gz RUHPNZRVCHZTKF-FQEVSTJZSA-N 2 1 345.487 1.486 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000174361367 441916368 /nfs/dbraw/zinc/91/63/68/441916368.db2.gz SAGLILJJGCGXCT-OAHLLOKOSA-N 2 1 347.459 1.458 20 0 EDADMP COC(=O)c1cccc(NC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123324164 441883373 /nfs/dbraw/zinc/88/33/73/441883373.db2.gz YZPZRJLGIKSGMA-CJNGLKHVSA-N 2 1 333.432 1.826 20 0 EDADMP CCOC(=O)CCCC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174894972 441979518 /nfs/dbraw/zinc/97/95/18/441979518.db2.gz GKELVLVUSBSCIO-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP CCOC(=O)CCCC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174894972 441979523 /nfs/dbraw/zinc/97/95/23/441979523.db2.gz GKELVLVUSBSCIO-QGZVFWFLSA-N 2 1 325.497 1.822 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)CC1 ZINC000174654140 441948997 /nfs/dbraw/zinc/94/89/97/441948997.db2.gz TYUXPSOLPVQAEK-UHFFFAOYSA-N 2 1 347.507 1.575 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)CC1 ZINC000174654140 441949000 /nfs/dbraw/zinc/94/90/00/441949000.db2.gz TYUXPSOLPVQAEK-UHFFFAOYSA-N 2 1 347.507 1.575 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000079874943 442092979 /nfs/dbraw/zinc/09/29/79/442092979.db2.gz ZOOHCGCMECFVPU-LJQANCHMSA-N 2 1 342.487 1.998 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000162271709 442079991 /nfs/dbraw/zinc/07/99/91/442079991.db2.gz WQFLQWYBEVFFAA-UHFFFAOYSA-N 2 1 328.482 1.328 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000162271709 442079995 /nfs/dbraw/zinc/07/99/95/442079995.db2.gz WQFLQWYBEVFFAA-UHFFFAOYSA-N 2 1 328.482 1.328 20 0 EDADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000175846025 442133557 /nfs/dbraw/zinc/13/35/57/442133557.db2.gz MLMWAFCAFBWAKP-NVXWUHKLSA-N 2 1 331.464 1.850 20 0 EDADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000175846025 442133561 /nfs/dbraw/zinc/13/35/61/442133561.db2.gz MLMWAFCAFBWAKP-NVXWUHKLSA-N 2 1 331.464 1.850 20 0 EDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000121159900 442184346 /nfs/dbraw/zinc/18/43/46/442184346.db2.gz IBHHMRJLLXQRQL-GJZGRUSLSA-N 2 1 339.505 1.929 20 0 EDADMP C[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000170694327 442249787 /nfs/dbraw/zinc/24/97/87/442249787.db2.gz GQEXADFXBWFHRM-SJORKVTESA-N 2 1 325.497 1.726 20 0 EDADMP C[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000170694327 442249791 /nfs/dbraw/zinc/24/97/91/442249791.db2.gz GQEXADFXBWFHRM-SJORKVTESA-N 2 1 325.497 1.726 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000165803629 442211954 /nfs/dbraw/zinc/21/19/54/442211954.db2.gz IYKPNZGVBXSURR-KRWDZBQOSA-N 2 1 346.475 1.315 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CCC[NH2+]C3)c2)CCO1 ZINC000166120426 442214391 /nfs/dbraw/zinc/21/43/91/442214391.db2.gz MJTZILVADXOBJK-CRAIPNDOSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CCC[NH2+]C3)c2)CCO1 ZINC000166120426 442214394 /nfs/dbraw/zinc/21/43/94/442214394.db2.gz MJTZILVADXOBJK-CRAIPNDOSA-N 2 1 331.460 1.523 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3cccc(OC)c3)C2)CC1 ZINC000153145366 442263860 /nfs/dbraw/zinc/26/38/60/442263860.db2.gz LJFLXMWGFTZNSD-QGZVFWFLSA-N 2 1 333.476 1.786 20 0 EDADMP COc1cccc(COC[C@@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000177058776 442291050 /nfs/dbraw/zinc/29/10/50/442291050.db2.gz AWIUYUNJLWNMMH-NXHRZFHOSA-N 2 1 336.476 1.987 20 0 EDADMP COc1cccc(COC[C@@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000177058776 442291052 /nfs/dbraw/zinc/29/10/52/442291052.db2.gz AWIUYUNJLWNMMH-NXHRZFHOSA-N 2 1 336.476 1.987 20 0 EDADMP COc1cccc(COC[C@@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000177058776 442291056 /nfs/dbraw/zinc/29/10/56/442291056.db2.gz AWIUYUNJLWNMMH-NXHRZFHOSA-N 2 1 336.476 1.987 20 0 EDADMP COc1cccc(COC[C@@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000177058776 442291060 /nfs/dbraw/zinc/29/10/60/442291060.db2.gz AWIUYUNJLWNMMH-NXHRZFHOSA-N 2 1 336.476 1.987 20 0 EDADMP C[N@H+](CCOCc1ccccc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000154575893 442346638 /nfs/dbraw/zinc/34/66/38/442346638.db2.gz ZHQIQIWXGSMHOW-UHFFFAOYSA-N 2 1 345.487 1.878 20 0 EDADMP C[N@@H+](CCOCc1ccccc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000154575893 442346640 /nfs/dbraw/zinc/34/66/40/442346640.db2.gz ZHQIQIWXGSMHOW-UHFFFAOYSA-N 2 1 345.487 1.878 20 0 EDADMP CCS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000177803786 442386310 /nfs/dbraw/zinc/38/63/10/442386310.db2.gz GHQQJWPLGXTNLB-ZDUSSCGKSA-N 2 1 336.461 1.771 20 0 EDADMP COCCOc1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000178669892 442454321 /nfs/dbraw/zinc/45/43/21/442454321.db2.gz JWJRWRKPZLSHNN-INIZCTEOSA-N 2 1 349.475 1.527 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc([S@](C)=O)cc1 ZINC000178672461 442455117 /nfs/dbraw/zinc/45/51/17/442455117.db2.gz LSKWDYUWDCQPSX-PSLXWICFSA-N 2 1 337.489 1.239 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000178676026 442455456 /nfs/dbraw/zinc/45/54/56/442455456.db2.gz ZDIHFCZJDOKJMS-OAHLLOKOSA-N 2 1 342.447 1.082 20 0 EDADMP COC(=O)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000191552090 442462578 /nfs/dbraw/zinc/46/25/78/442462578.db2.gz NSLDTXRVPCDVLP-UHFFFAOYSA-N 2 1 325.497 1.820 20 0 EDADMP Cc1ccc(N2CCC(C(=O)NC[C@](C)(O)C[NH+](C)C)CC2)[nH+]c1 ZINC000178722356 442463814 /nfs/dbraw/zinc/46/38/14/442463814.db2.gz XHQXSXTWLHMMQP-SFHVURJKSA-N 2 1 334.464 1.035 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NCC2=CC[NH2+]CC2)c2ccccc2)CC1 ZINC000186336832 442514831 /nfs/dbraw/zinc/51/48/31/442514831.db2.gz MPPFZJONEDKEKC-GOSISDBHSA-N 2 1 328.460 1.011 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000180006211 442528096 /nfs/dbraw/zinc/52/80/96/442528096.db2.gz LCBXSELZACAWQR-QGZVFWFLSA-N 2 1 349.523 1.729 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)C[N@@H+](C)[C@@H]3CCSC3)CC2)c1 ZINC000158048118 442641807 /nfs/dbraw/zinc/64/18/07/442641807.db2.gz PZOYNYBIQDIUDV-OAHLLOKOSA-N 2 1 334.489 1.476 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)c1 ZINC000158048118 442641810 /nfs/dbraw/zinc/64/18/10/442641810.db2.gz PZOYNYBIQDIUDV-OAHLLOKOSA-N 2 1 334.489 1.476 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000181142622 442681964 /nfs/dbraw/zinc/68/19/64/442681964.db2.gz BCSPSZGTXWDMBW-MTNOOBJLSA-N 2 1 345.487 1.985 20 0 EDADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1CC(C)(C)O ZINC000187219246 442661095 /nfs/dbraw/zinc/66/10/95/442661095.db2.gz LOQDZZSGLHTJQF-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)C1 ZINC000188751902 442803842 /nfs/dbraw/zinc/80/38/42/442803842.db2.gz DFRLLOMQOXPHBT-OFQRWUPVSA-N 2 1 348.422 1.022 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1cccnc1 ZINC000265530140 442810916 /nfs/dbraw/zinc/81/09/16/442810916.db2.gz FMMLXXAQPSBMIA-IAGOWNOFSA-N 2 1 348.491 1.723 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000268148627 442870410 /nfs/dbraw/zinc/87/04/10/442870410.db2.gz GLFGWFJYXZLCOB-CJNGLKHVSA-N 2 1 342.447 1.667 20 0 EDADMP COC(=O)CNC(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183152592 442890116 /nfs/dbraw/zinc/89/01/16/442890116.db2.gz HUUIUEKZCOPAJL-ZDUSSCGKSA-N 2 1 344.415 1.511 20 0 EDADMP C[C@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000181810067 318490716 /nfs/dbraw/zinc/49/07/16/318490716.db2.gz UFMUIQSKILGAIU-IAGOWNOFSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCN2CCOC[C@H]2C)C[C@@H](C)O1 ZINC000249061147 442948935 /nfs/dbraw/zinc/94/89/35/442948935.db2.gz PQDTWLJBOHQFHH-TVFCKZIOSA-N 2 1 325.497 1.281 20 0 EDADMP C[C@@H](CCNC(=O)CCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000182249072 318501887 /nfs/dbraw/zinc/50/18/87/318501887.db2.gz YSPLVEIAUKASAJ-KRWDZBQOSA-N 2 1 325.497 1.870 20 0 EDADMP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1nccn1C ZINC000183290324 442918366 /nfs/dbraw/zinc/91/83/66/442918366.db2.gz GEBZPGAEOWXJDC-QGZVFWFLSA-N 2 1 343.475 1.952 20 0 EDADMP CO[C@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[C@H]1C ZINC000189357142 442928572 /nfs/dbraw/zinc/92/85/72/442928572.db2.gz KPJCRFFSMNSCQQ-NJAFHUGGSA-N 2 1 333.476 1.762 20 0 EDADMP COC[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000265852110 442944735 /nfs/dbraw/zinc/94/47/35/442944735.db2.gz YXYWUFQGJUPSRT-QRQLOZEOSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[NH+](CCNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000194803977 442955661 /nfs/dbraw/zinc/95/56/61/442955661.db2.gz GWIWXFSXKSDOJY-CALCHBBNSA-N 2 1 342.528 1.856 20 0 EDADMP CC(C)[NH+](CCNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000194803977 442955665 /nfs/dbraw/zinc/95/56/65/442955665.db2.gz GWIWXFSXKSDOJY-CALCHBBNSA-N 2 1 342.528 1.856 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000249325091 442966661 /nfs/dbraw/zinc/96/66/61/442966661.db2.gz SOSIUSCQTAETRI-WBVHZDCISA-N 2 1 338.496 1.127 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000249325091 442966667 /nfs/dbraw/zinc/96/66/67/442966667.db2.gz SOSIUSCQTAETRI-WBVHZDCISA-N 2 1 338.496 1.127 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265924956 442971598 /nfs/dbraw/zinc/97/15/98/442971598.db2.gz WATHBZSSGMBMPV-SJLPKXTDSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265924956 442971601 /nfs/dbraw/zinc/97/16/01/442971601.db2.gz WATHBZSSGMBMPV-SJLPKXTDSA-N 2 1 333.476 1.734 20 0 EDADMP C[C@H]1CN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@@H]1[NH+](C)C ZINC000268418114 442981910 /nfs/dbraw/zinc/98/19/10/442981910.db2.gz VUISXRPYBRBOOQ-YJBOKZPZSA-N 2 1 330.476 1.636 20 0 EDADMP C[C@@H]1CC[C@@](CO)([N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249539449 442984034 /nfs/dbraw/zinc/98/40/34/442984034.db2.gz DNHAHKMQIYBRIO-YVWKXTFCSA-N 2 1 347.503 1.888 20 0 EDADMP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)CC[C@H]1C ZINC000251994295 443021519 /nfs/dbraw/zinc/02/15/19/443021519.db2.gz WEGQKTXTSMUSSZ-IXDOHACOSA-N 2 1 346.475 1.476 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)C2CCCC2)C1 ZINC000184611865 443049176 /nfs/dbraw/zinc/04/91/76/443049176.db2.gz ARHRDHUPGDIKID-RDJZCZTQSA-N 2 1 325.497 1.628 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H](CCO)c1ccco1)c1ccccc1 ZINC000184692685 443060605 /nfs/dbraw/zinc/06/06/05/443060605.db2.gz UZYAUZDZFMBUCL-SJORKVTESA-N 2 1 345.443 1.712 20 0 EDADMP CC(C)C[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000236629755 443140717 /nfs/dbraw/zinc/14/07/17/443140717.db2.gz MMWYGKFKRVYRAZ-FUHWJXTLSA-N 2 1 339.524 1.875 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)NCCC[N@@H+](C)CCOC)c1 ZINC000268802802 443112780 /nfs/dbraw/zinc/11/27/80/443112780.db2.gz HZJLGCMZJUFESZ-CQSZACIVSA-N 2 1 343.493 1.214 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCC[N@@H+](C)CCOC)c1 ZINC000268802802 443112784 /nfs/dbraw/zinc/11/27/84/443112784.db2.gz HZJLGCMZJUFESZ-CQSZACIVSA-N 2 1 343.493 1.214 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@@]2(C)CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000237203089 443163432 /nfs/dbraw/zinc/16/34/32/443163432.db2.gz HDCZNDHRXDXDLB-QUCCMNQESA-N 2 1 344.503 1.481 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@@]2(C)CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000237203089 443163435 /nfs/dbraw/zinc/16/34/35/443163435.db2.gz HDCZNDHRXDXDLB-QUCCMNQESA-N 2 1 344.503 1.481 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000185573313 443221309 /nfs/dbraw/zinc/22/13/09/443221309.db2.gz XETFUODNONVKAP-QGZVFWFLSA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000269109470 443200771 /nfs/dbraw/zinc/20/07/71/443200771.db2.gz NCVFVYPIRCJVFD-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP CC[NH+]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000269109470 443200775 /nfs/dbraw/zinc/20/07/75/443200775.db2.gz NCVFVYPIRCJVFD-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP CC[NH+]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000269109470 443200777 /nfs/dbraw/zinc/20/07/77/443200777.db2.gz NCVFVYPIRCJVFD-GOSISDBHSA-N 2 1 330.476 1.998 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000185473107 443204681 /nfs/dbraw/zinc/20/46/81/443204681.db2.gz DBTLKEKPVQSADS-INIZCTEOSA-N 2 1 339.528 1.184 20 0 EDADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n(C)n1 ZINC000185735300 443247260 /nfs/dbraw/zinc/24/72/60/443247260.db2.gz ZGOCOWKHHBWEDA-LSDHHAIUSA-N 2 1 333.480 1.910 20 0 EDADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n(C)n1 ZINC000185735300 443247264 /nfs/dbraw/zinc/24/72/64/443247264.db2.gz ZGOCOWKHHBWEDA-LSDHHAIUSA-N 2 1 333.480 1.910 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000414656860 319337274 /nfs/dbraw/zinc/33/72/74/319337274.db2.gz NSDRTCRZDDEKFE-QYZOEREBSA-N 2 1 327.472 1.934 20 0 EDADMP COCCOc1cccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415130070 319347291 /nfs/dbraw/zinc/34/72/91/319347291.db2.gz QEFUJDIDGYQLQF-KRWDZBQOSA-N 2 1 345.447 1.599 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000415242176 319356166 /nfs/dbraw/zinc/35/61/66/319356166.db2.gz NMUSMRRPZTZRKH-LJQANCHMSA-N 2 1 344.459 1.289 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[N@H+]1C1CC1 ZINC000246144406 443272875 /nfs/dbraw/zinc/27/28/75/443272875.db2.gz CFLVKAJALIACCI-BFYDXBDKSA-N 2 1 338.496 1.364 20 0 EDADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000269273682 443261563 /nfs/dbraw/zinc/26/15/63/443261563.db2.gz VFKCNTHPUAUFSG-GOSISDBHSA-N 2 1 343.471 1.462 20 0 EDADMP CC(C)[NH+](CCNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C(C)C ZINC000416809040 319462451 /nfs/dbraw/zinc/46/24/51/319462451.db2.gz PQMRHVOTSNOBBR-QGZVFWFLSA-N 2 1 333.480 1.856 20 0 EDADMP C[C@H](C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[NH+]1CCSCC1 ZINC000269696927 443400596 /nfs/dbraw/zinc/40/05/96/443400596.db2.gz PUEPBMKLXOVLJQ-OAHLLOKOSA-N 2 1 347.528 1.639 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C[C@@H](C)O1 ZINC000423305537 319762305 /nfs/dbraw/zinc/76/23/05/319762305.db2.gz RDDXJASRJPGKSA-KFWWJZLASA-N 2 1 325.497 1.769 20 0 EDADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000267764393 443570055 /nfs/dbraw/zinc/57/00/55/443570055.db2.gz KIKPRKWHGKVFPA-QGZVFWFLSA-N 2 1 344.459 1.036 20 0 EDADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1N1CCCC1 ZINC000283498432 443647058 /nfs/dbraw/zinc/64/70/58/443647058.db2.gz KCXQIHDTSVCECJ-UHFFFAOYSA-N 2 1 344.503 1.883 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1N1CCCC1 ZINC000283498432 443647062 /nfs/dbraw/zinc/64/70/62/443647062.db2.gz KCXQIHDTSVCECJ-UHFFFAOYSA-N 2 1 344.503 1.883 20 0 EDADMP C[C@H](C(=O)N1CCC(OCC[NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000439408311 320046885 /nfs/dbraw/zinc/04/68/85/320046885.db2.gz JUJLQMFVCREKQW-OWCLPIDISA-N 2 1 325.497 1.817 20 0 EDADMP CC(C)OC(=O)CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441059256 320087492 /nfs/dbraw/zinc/08/74/92/320087492.db2.gz GMJQIYFSNGLJDV-UHFFFAOYSA-N 2 1 325.497 1.819 20 0 EDADMP CC(C)[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000449678507 320199272 /nfs/dbraw/zinc/19/92/72/320199272.db2.gz BDKXGDGCKNVWJS-VQHPVUNQSA-N 2 1 325.497 1.769 20 0 EDADMP C[N@@H+](CCCCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C1CC1 ZINC000457168833 320321600 /nfs/dbraw/zinc/32/16/00/320321600.db2.gz NYSLQXPZCONLPJ-UHFFFAOYSA-N 2 1 345.491 1.438 20 0 EDADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000458858229 320343448 /nfs/dbraw/zinc/34/34/48/320343448.db2.gz TVSGWMOZFSKLRF-IAGOWNOFSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000479338107 320355267 /nfs/dbraw/zinc/35/52/67/320355267.db2.gz DKSNVWMUYOASJK-YESZJQIVSA-N 2 1 340.512 1.062 20 0 EDADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000488157980 320357616 /nfs/dbraw/zinc/35/76/16/320357616.db2.gz FXEBUPUGQXVELS-HDMKZQKVSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@@H](CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000283857782 443744254 /nfs/dbraw/zinc/74/42/54/443744254.db2.gz GBZZGJVVPOCKLX-YOEHRIQHSA-N 2 1 346.475 1.004 20 0 EDADMP CN(CCC[N@@H+](C)CC(=O)N(C)Cc1cccs1)CC[NH+](C)C ZINC000298343266 443750397 /nfs/dbraw/zinc/75/03/97/443750397.db2.gz BLNVAUJFGNXHBU-UHFFFAOYSA-N 2 1 340.537 1.522 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)C1 ZINC000276615990 443766594 /nfs/dbraw/zinc/76/65/94/443766594.db2.gz IDABESTZWXTBAK-BMGDILEWSA-N 2 1 331.460 1.258 20 0 EDADMP C[C@H](CNC(=O)N1CCC[N@@H+](C)CC1)N1CCc2sccc2C1 ZINC000298657602 443830643 /nfs/dbraw/zinc/83/06/43/443830643.db2.gz BIESLMFCIONSDE-CQSZACIVSA-N 2 1 336.505 1.842 20 0 EDADMP C[C@H](CNC(=O)N1CCC[N@H+](C)CC1)[NH+]1CCc2sccc2C1 ZINC000298657602 443830648 /nfs/dbraw/zinc/83/06/48/443830648.db2.gz BIESLMFCIONSDE-CQSZACIVSA-N 2 1 336.505 1.842 20 0 EDADMP C[C@H](CNC(=O)N1CCC[N@@H+](C)CC1)[NH+]1CCc2sccc2C1 ZINC000298657602 443830653 /nfs/dbraw/zinc/83/06/53/443830653.db2.gz BIESLMFCIONSDE-CQSZACIVSA-N 2 1 336.505 1.842 20 0 EDADMP C[C@H](CNC(=O)N1CCC[NH+](C)CC1)[N@@H+]1CCc2sccc2C1 ZINC000298657602 443830656 /nfs/dbraw/zinc/83/06/56/443830656.db2.gz BIESLMFCIONSDE-CQSZACIVSA-N 2 1 336.505 1.842 20 0 EDADMP COC1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCOCC1 ZINC000276980169 443883295 /nfs/dbraw/zinc/88/32/95/443883295.db2.gz GQMRPWRRONSTOC-LJQANCHMSA-N 2 1 348.487 1.929 20 0 EDADMP C[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000292913907 443877536 /nfs/dbraw/zinc/87/75/36/443877536.db2.gz FOPHEHJXNPAOPA-MOXGXCLJSA-N 2 1 329.488 1.620 20 0 EDADMP C[C@@H]1C[C@H](NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000292913907 443877542 /nfs/dbraw/zinc/87/75/42/443877542.db2.gz FOPHEHJXNPAOPA-MOXGXCLJSA-N 2 1 329.488 1.620 20 0 EDADMP C[C@@H]1C[C@H](NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000292913907 443877546 /nfs/dbraw/zinc/87/75/46/443877546.db2.gz FOPHEHJXNPAOPA-MOXGXCLJSA-N 2 1 329.488 1.620 20 0 EDADMP CN(CCN1CCN(Cc2ccccc2)CC1)CC(=O)NC1CC1 ZINC000285242606 443909301 /nfs/dbraw/zinc/90/93/01/443909301.db2.gz AARMMZDOWLHCDN-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP Cc1nccn1CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285255549 443914260 /nfs/dbraw/zinc/91/42/60/443914260.db2.gz AXBSCBYZHYTTQD-UHFFFAOYSA-N 3 1 341.503 1.941 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000285284938 443927273 /nfs/dbraw/zinc/92/72/73/443927273.db2.gz KSSBHOYQWMIXLI-IEBWSBKVSA-N 2 1 345.487 1.940 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cc(Cl)cn1C ZINC000299135646 443964861 /nfs/dbraw/zinc/96/48/61/443964861.db2.gz WVYHHAVDRMLXTO-UHFFFAOYSA-N 2 1 326.872 1.777 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cc(Cl)cn1C ZINC000299135646 443964864 /nfs/dbraw/zinc/96/48/64/443964864.db2.gz WVYHHAVDRMLXTO-UHFFFAOYSA-N 2 1 326.872 1.777 20 0 EDADMP CC[NH+](CC)CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000299535967 444072183 /nfs/dbraw/zinc/07/21/83/444072183.db2.gz HVKHRWPQDUKUBM-UHFFFAOYSA-N 2 1 333.480 1.052 20 0 EDADMP COC[C@H]1CCN1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000293621212 444072682 /nfs/dbraw/zinc/07/26/82/444072682.db2.gz QHELCWJNVKQMAX-GOSISDBHSA-N 2 1 331.460 1.360 20 0 EDADMP COC[C@H]1CC[N@@H+]1CC(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000293621212 444072684 /nfs/dbraw/zinc/07/26/84/444072684.db2.gz QHELCWJNVKQMAX-GOSISDBHSA-N 2 1 331.460 1.360 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCS(=O)(=O)N(C)C)cc1 ZINC000285703770 444078895 /nfs/dbraw/zinc/07/88/95/444078895.db2.gz RTZVYNIQNIFQJT-ZDUSSCGKSA-N 2 1 336.461 1.723 20 0 EDADMP COCCc1ccc(OC[C@@H](O)CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000293590773 444063009 /nfs/dbraw/zinc/06/30/09/444063009.db2.gz OJFOUMICLABAFI-AZUAARDMSA-N 2 1 348.487 1.643 20 0 EDADMP COCCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000293590773 444063013 /nfs/dbraw/zinc/06/30/13/444063013.db2.gz OJFOUMICLABAFI-AZUAARDMSA-N 2 1 348.487 1.643 20 0 EDADMP COCCc1ccc(OC[C@@H](O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000293590773 444063022 /nfs/dbraw/zinc/06/30/22/444063022.db2.gz OJFOUMICLABAFI-AZUAARDMSA-N 2 1 348.487 1.643 20 0 EDADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)CO2 ZINC000560343612 321021597 /nfs/dbraw/zinc/02/15/97/321021597.db2.gz OLRSHOMZMAHOFM-DLBZAZTESA-N 2 1 334.460 1.681 20 0 EDADMP CC[C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000561223815 321037520 /nfs/dbraw/zinc/03/75/20/321037520.db2.gz GIBFGJNHNXMLGU-ZWKOTPCHSA-N 2 1 346.475 1.281 20 0 EDADMP Cn1ccnc1[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000564386089 321128360 /nfs/dbraw/zinc/12/83/60/321128360.db2.gz ZEGLHAPUSBQIMD-DLBZAZTESA-N 2 1 332.423 1.693 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000564777082 321147096 /nfs/dbraw/zinc/14/70/96/321147096.db2.gz FCIYBBLZCAVLKW-MRXNPFEDSA-N 2 1 325.497 1.458 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C[C@H]3CCOC3)CC2)CC1 ZINC000566441882 321231101 /nfs/dbraw/zinc/23/11/01/321231101.db2.gz LNAJXSBIINHZSB-MRXNPFEDSA-N 2 1 337.508 1.678 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000567120656 321241553 /nfs/dbraw/zinc/24/15/53/321241553.db2.gz IKKRFIMDJMZOMA-MSOLQXFVSA-N 2 1 333.476 1.584 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CNC1(c2cccc(OC)c2F)CCOCC1 ZINC000567121122 321241709 /nfs/dbraw/zinc/24/17/09/321241709.db2.gz ZTMPPSQUEMKMOX-CQSZACIVSA-N 2 1 340.439 1.742 20 0 EDADMP C[C@H]1CC2(C[N@H+]1CCc1nnnn1-c1ccccc1)CC[NH2+]CC2 ZINC000567663210 321251987 /nfs/dbraw/zinc/25/19/87/321251987.db2.gz HTSRATODQUXTSB-HNNXBMFYSA-N 2 1 326.448 1.669 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)CC[NH2+]C3CC3)cc2)CC1 ZINC000568231011 321283581 /nfs/dbraw/zinc/28/35/81/321283581.db2.gz JNVGZSHMGDUEPE-UHFFFAOYSA-N 2 1 346.475 1.393 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000568288197 321286124 /nfs/dbraw/zinc/28/61/24/321286124.db2.gz XBUSLUJPFYPAGM-RBUKOAKNSA-N 2 1 344.503 1.944 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000569001237 321314298 /nfs/dbraw/zinc/31/42/98/321314298.db2.gz YXSWUWSKOHFYNB-LPHOPBHVSA-N 2 1 331.460 1.081 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000569001237 321314299 /nfs/dbraw/zinc/31/42/99/321314299.db2.gz YXSWUWSKOHFYNB-LPHOPBHVSA-N 2 1 331.460 1.081 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000569001237 321314301 /nfs/dbraw/zinc/31/43/01/321314301.db2.gz YXSWUWSKOHFYNB-LPHOPBHVSA-N 2 1 331.460 1.081 20 0 EDADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000570549093 321347115 /nfs/dbraw/zinc/34/71/15/321347115.db2.gz BFIHXSNNVWKFKE-YRXWBPOGSA-N 2 1 342.487 1.806 20 0 EDADMP CC[NH2+]CCCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000570563767 321347654 /nfs/dbraw/zinc/34/76/54/321347654.db2.gz ZBIIFLXYJLFPOX-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)[C@H](C)[NH3+] ZINC000570570172 321348569 /nfs/dbraw/zinc/34/85/69/321348569.db2.gz RMDJAACJEKADJX-OLZOCXBDSA-N 2 1 333.480 1.566 20 0 EDADMP [NH3+]C[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000570941280 321365723 /nfs/dbraw/zinc/36/57/23/321365723.db2.gz UHZQTPDVKGJFFK-ZWKOTPCHSA-N 2 1 330.476 1.889 20 0 EDADMP C[C@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571506601 321388806 /nfs/dbraw/zinc/38/88/06/321388806.db2.gz PEBNBFXPTNEEAU-HOCLYGCPSA-N 2 1 334.464 1.312 20 0 EDADMP C[C@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571506601 321388808 /nfs/dbraw/zinc/38/88/08/321388808.db2.gz PEBNBFXPTNEEAU-HOCLYGCPSA-N 2 1 334.464 1.312 20 0 EDADMP C[C@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571506600 321388998 /nfs/dbraw/zinc/38/89/98/321388998.db2.gz PEBNBFXPTNEEAU-GOEBONIOSA-N 2 1 334.464 1.312 20 0 EDADMP C[C@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571506600 321388999 /nfs/dbraw/zinc/38/89/99/321388999.db2.gz PEBNBFXPTNEEAU-GOEBONIOSA-N 2 1 334.464 1.312 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3cnn(C)c3)CC2)CC1 ZINC000571548015 321391150 /nfs/dbraw/zinc/39/11/50/321391150.db2.gz GHOIGBDVSGMDQZ-HNNXBMFYSA-N 2 1 347.507 1.794 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc(C)cc1=O ZINC000278153699 444108196 /nfs/dbraw/zinc/10/81/96/444108196.db2.gz OPRBNUUGZLNWGB-QGZVFWFLSA-N 2 1 348.491 1.031 20 0 EDADMP CN(CCC[N@@H+](C)C[C@@H](O)COCc1ccccc1)CC[NH+](C)C ZINC000289420159 444138357 /nfs/dbraw/zinc/13/83/57/444138357.db2.gz MPSIEYWYWIYTTE-LJQANCHMSA-N 2 1 337.508 1.379 20 0 EDADMP CN(CC[N@@H+](C)Cc1c[nH]nc1-c1cccnc1)C1CC[NH+](C)CC1 ZINC000289464622 444151681 /nfs/dbraw/zinc/15/16/81/444151681.db2.gz OTXFRHKYXBGIKH-UHFFFAOYSA-N 2 1 342.491 1.930 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000289924925 444220007 /nfs/dbraw/zinc/22/00/07/444220007.db2.gz NYLMQMCJMUCFLC-INIZCTEOSA-N 2 1 348.447 1.048 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](C[C@H](O)COc3ccccc3)C2)CC1 ZINC000304713475 444252107 /nfs/dbraw/zinc/25/21/07/444252107.db2.gz MOXSTWMEBYTJBD-MOPGFXCFSA-N 2 1 347.503 1.528 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C[C@H](O)COc3ccccc3)C2)CC1 ZINC000304713475 444252109 /nfs/dbraw/zinc/25/21/09/444252109.db2.gz MOXSTWMEBYTJBD-MOPGFXCFSA-N 2 1 347.503 1.528 20 0 EDADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1Cl ZINC000305123224 444259251 /nfs/dbraw/zinc/25/92/51/444259251.db2.gz KIBGDLOKQGAPLM-JSGCOSHPSA-N 2 1 327.856 1.878 20 0 EDADMP C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)[NH+]1CCCCCC1 ZINC000305144220 444260788 /nfs/dbraw/zinc/26/07/88/444260788.db2.gz XOOYFYLBRAUFLS-SJORKVTESA-N 2 1 325.497 1.604 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000577046506 321618228 /nfs/dbraw/zinc/61/82/28/321618228.db2.gz GVHXBSFWOGCFOT-JCGIZDLHSA-N 2 1 341.459 1.964 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCOCC1 ZINC000297597937 444306203 /nfs/dbraw/zinc/30/62/03/444306203.db2.gz QEKVASHTLXJPSO-QGZVFWFLSA-N 2 1 345.447 1.490 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+]([C@@H]3Cc4ccccc4[C@@H]3O)C2)CC1 ZINC000305803142 444281337 /nfs/dbraw/zinc/28/13/37/444281337.db2.gz FKVDPMFAFRHTST-RLLQIKCJSA-N 2 1 329.488 1.747 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@H+]([C@@H]3Cc4ccccc4[C@@H]3O)C2)CC1 ZINC000305803142 444281338 /nfs/dbraw/zinc/28/13/38/444281338.db2.gz FKVDPMFAFRHTST-RLLQIKCJSA-N 2 1 329.488 1.747 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)CCCn1ccnc1 ZINC000290507240 444289405 /nfs/dbraw/zinc/28/94/05/444289405.db2.gz PJTZWFZWFCEEKQ-UHFFFAOYSA-N 2 1 332.452 1.284 20 0 EDADMP C[C@H](NC(=O)COC1(C)C[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310426395 444291782 /nfs/dbraw/zinc/29/17/82/444291782.db2.gz PDONYXNHBNXGQC-DOTOQJQBSA-N 2 1 331.460 1.392 20 0 EDADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000578055909 321714620 /nfs/dbraw/zinc/71/46/20/321714620.db2.gz FYDTUVNPRSRWKN-FUHWJXTLSA-N 2 1 335.423 1.983 20 0 EDADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000314773037 444302373 /nfs/dbraw/zinc/30/23/73/444302373.db2.gz ANRNDCKVKPGADP-KBPBESRZSA-N 2 1 327.494 1.928 20 0 EDADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000578120074 321724256 /nfs/dbraw/zinc/72/42/56/321724256.db2.gz LKDAAZAPIJJOFE-YJBOKZPZSA-N 2 1 346.475 1.681 20 0 EDADMP CCO[C@H](CC[NH+](C)C)CN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340523610 444423689 /nfs/dbraw/zinc/42/36/89/444423689.db2.gz GRSSHCCLRBLDCN-WBVHZDCISA-N 2 1 335.427 1.980 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](C)CC1 ZINC000327069107 444380252 /nfs/dbraw/zinc/38/02/52/444380252.db2.gz KUASLJDWUFOLMP-RBUKOAKNSA-N 2 1 344.503 1.262 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000580069097 322004818 /nfs/dbraw/zinc/00/48/18/322004818.db2.gz JYSLWSFTXTVDPP-IAGOWNOFSA-N 2 1 330.476 1.890 20 0 EDADMP CO[C@@H]1CCC[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000580751719 322089865 /nfs/dbraw/zinc/08/98/65/322089865.db2.gz NALJEGGPEGEZQM-HUUCEWRRSA-N 2 1 332.448 1.977 20 0 EDADMP [NH3+][C@H](C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CCC1 ZINC000581188062 322146939 /nfs/dbraw/zinc/14/69/39/322146939.db2.gz NLTDRVWNQZBYIF-IBGZPJMESA-N 2 1 344.503 1.438 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000581775035 322218929 /nfs/dbraw/zinc/21/89/29/322218929.db2.gz JPKAOOAHERBHKZ-OAHLLOKOSA-N 2 1 332.448 1.565 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1nc(C)cc1C ZINC000338085802 444512098 /nfs/dbraw/zinc/51/20/98/444512098.db2.gz CTTPTEVQOOEYLM-QGZVFWFLSA-N 2 1 335.496 1.374 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342142615 444530300 /nfs/dbraw/zinc/53/03/00/444530300.db2.gz VSFVARHRLLPDME-WDSOQIARSA-N 2 1 345.487 1.899 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342142615 444530305 /nfs/dbraw/zinc/53/03/05/444530305.db2.gz VSFVARHRLLPDME-WDSOQIARSA-N 2 1 345.487 1.899 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CNCC2([NH3+])CCC2)CC1 ZINC000342146430 444533326 /nfs/dbraw/zinc/53/33/26/444533326.db2.gz SYVMIUKJQYUPIG-UHFFFAOYSA-N 2 1 330.476 1.110 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)CC1 ZINC000340915216 444573971 /nfs/dbraw/zinc/57/39/71/444573971.db2.gz IHMDFSJCVVXZTL-APWZRJJASA-N 2 1 345.487 1.531 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000341000322 444624027 /nfs/dbraw/zinc/62/40/27/444624027.db2.gz YWMYUDCXOAAEAZ-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000341000322 444624029 /nfs/dbraw/zinc/62/40/29/444624029.db2.gz YWMYUDCXOAAEAZ-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000341000322 444624034 /nfs/dbraw/zinc/62/40/34/444624034.db2.gz YWMYUDCXOAAEAZ-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H]1CCC[NH2+]C1 ZINC000343894621 444651658 /nfs/dbraw/zinc/65/16/58/444651658.db2.gz VEGKGVVATJPCFD-JKSUJKDBSA-N 2 1 339.480 1.252 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000343868930 444636850 /nfs/dbraw/zinc/63/68/50/444636850.db2.gz KGSFXAJIRFHOPM-QGZVFWFLSA-N 2 1 344.459 1.289 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)COC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343876985 444640486 /nfs/dbraw/zinc/64/04/86/444640486.db2.gz WQQSEFCLCCANKM-ZACQAIPSSA-N 2 1 327.513 1.120 20 0 EDADMP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOC)[C@@H](CC)C2)CC1 ZINC000341212203 444733042 /nfs/dbraw/zinc/73/30/42/444733042.db2.gz LSWJDUOOWDTLHB-KRWDZBQOSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@H+]1C[C@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000343987067 444711374 /nfs/dbraw/zinc/71/13/74/444711374.db2.gz SDFIJPYTYRHNCF-HKUYNNGSSA-N 3 1 331.508 1.524 20 0 EDADMP CC[N@@H+]1C[C@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000343987067 444711379 /nfs/dbraw/zinc/71/13/79/444711379.db2.gz SDFIJPYTYRHNCF-HKUYNNGSSA-N 3 1 331.508 1.524 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000342425609 444686531 /nfs/dbraw/zinc/68/65/31/444686531.db2.gz PHSFEJUFKSNMBM-KXBFYZLASA-N 2 1 345.487 1.457 20 0 EDADMP C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344034561 444741801 /nfs/dbraw/zinc/74/18/01/444741801.db2.gz HCECFJPCNCKVBE-MRXNPFEDSA-N 2 1 326.529 1.639 20 0 EDADMP C[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000330000955 444805841 /nfs/dbraw/zinc/80/58/41/444805841.db2.gz XIWCKSVGACAWGV-AJNGGQMLSA-N 2 1 337.443 1.474 20 0 EDADMP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000342692219 444816498 /nfs/dbraw/zinc/81/64/98/444816498.db2.gz KCVQOLUTIOTJLC-OAHLLOKOSA-N 2 1 325.403 1.999 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000342692219 444816502 /nfs/dbraw/zinc/81/65/02/444816502.db2.gz KCVQOLUTIOTJLC-OAHLLOKOSA-N 2 1 325.403 1.999 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000336875006 444819995 /nfs/dbraw/zinc/81/99/95/444819995.db2.gz ZSHLVLVZKJNGFA-SJORKVTESA-N 2 1 343.537 1.322 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000336875006 444820000 /nfs/dbraw/zinc/82/00/00/444820000.db2.gz ZSHLVLVZKJNGFA-SJORKVTESA-N 2 1 343.537 1.322 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000336875006 444820006 /nfs/dbraw/zinc/82/00/06/444820006.db2.gz ZSHLVLVZKJNGFA-SJORKVTESA-N 2 1 343.537 1.322 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(C(N)=O)c1 ZINC000344117690 444790323 /nfs/dbraw/zinc/79/03/23/444790323.db2.gz BSYLYQDVACQIQT-UHFFFAOYSA-N 2 1 332.492 1.635 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000338730316 444825572 /nfs/dbraw/zinc/82/55/72/444825572.db2.gz QVMKYTKBAGHROS-UHFFFAOYSA-N 2 1 337.468 1.116 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000344182298 444826377 /nfs/dbraw/zinc/82/63/77/444826377.db2.gz GWFXEHRKBVIFOE-LVQVYYBASA-N 2 1 325.497 1.721 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000344182298 444826382 /nfs/dbraw/zinc/82/63/82/444826382.db2.gz GWFXEHRKBVIFOE-LVQVYYBASA-N 2 1 325.497 1.721 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000344182298 444826386 /nfs/dbraw/zinc/82/63/86/444826386.db2.gz GWFXEHRKBVIFOE-LVQVYYBASA-N 2 1 325.497 1.721 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000344182298 444826393 /nfs/dbraw/zinc/82/63/93/444826393.db2.gz GWFXEHRKBVIFOE-LVQVYYBASA-N 2 1 325.497 1.721 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000337320529 445031745 /nfs/dbraw/zinc/03/17/45/445031745.db2.gz PEYLTSWAINDHOK-BZSNNMDCSA-N 2 1 327.513 1.434 20 0 EDADMP CC(C)OC[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000337329191 445035250 /nfs/dbraw/zinc/03/52/50/445035250.db2.gz FPECGWCLUXTNAC-INIZCTEOSA-N 2 1 333.476 1.977 20 0 EDADMP CC(C)[NH+]1CCN(CCC[NH+]2CCN(CC(F)(F)F)CC2)CC1 ZINC000337292921 445019561 /nfs/dbraw/zinc/01/95/61/445019561.db2.gz GIPVPEYNDIZBNA-UHFFFAOYSA-N 2 1 336.446 1.582 20 0 EDADMP NC(=O)C[C@H]1CCCC[N@H+]1C/C=C\C[NH+]1CCCC[C@H]1CC(N)=O ZINC000339137993 445052061 /nfs/dbraw/zinc/05/20/61/445052061.db2.gz YBKKOWSJJBNHTL-HNXFAEETSA-N 2 1 336.480 1.002 20 0 EDADMP NC(=O)C[C@H]1CCCC[NH+]1C/C=C\C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000339137993 445052064 /nfs/dbraw/zinc/05/20/64/445052064.db2.gz YBKKOWSJJBNHTL-HNXFAEETSA-N 2 1 336.480 1.002 20 0 EDADMP NC(=O)C[C@H]1CCCC[NH+]1C/C=C\C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000339137993 445052068 /nfs/dbraw/zinc/05/20/68/445052068.db2.gz YBKKOWSJJBNHTL-HNXFAEETSA-N 2 1 336.480 1.002 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000343087958 445052702 /nfs/dbraw/zinc/05/27/02/445052702.db2.gz KWJNYBDVXXUMFH-JLSDUUJJSA-N 2 1 331.460 1.067 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000343087958 445052707 /nfs/dbraw/zinc/05/27/07/445052707.db2.gz KWJNYBDVXXUMFH-JLSDUUJJSA-N 2 1 331.460 1.067 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000343087958 445052710 /nfs/dbraw/zinc/05/27/10/445052710.db2.gz KWJNYBDVXXUMFH-JLSDUUJJSA-N 2 1 331.460 1.067 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000337385049 445058070 /nfs/dbraw/zinc/05/80/70/445058070.db2.gz FKATYOBOPJKNLB-SZVBFZGTSA-N 2 1 348.491 1.434 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000341906899 445064625 /nfs/dbraw/zinc/06/46/25/445064625.db2.gz YKYFRDQPYMFLPU-GPMSIDNRSA-N 2 1 345.487 1.977 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000341906899 445064629 /nfs/dbraw/zinc/06/46/29/445064629.db2.gz YKYFRDQPYMFLPU-GPMSIDNRSA-N 2 1 345.487 1.977 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000341917884 445071923 /nfs/dbraw/zinc/07/19/23/445071923.db2.gz FPUSNUJTALZGSK-ZIFCJYIRSA-N 2 1 345.487 1.906 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000343177389 445118259 /nfs/dbraw/zinc/11/82/59/445118259.db2.gz KCFBQWAGEKAOJC-HZPDHXFCSA-N 2 1 340.512 1.071 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000343251234 445161945 /nfs/dbraw/zinc/16/19/45/445161945.db2.gz MDHCTNAXKAOSIL-OTWHNJEPSA-N 2 1 338.540 1.151 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NC(=O)NCc3cccs3)C[C@H]21 ZINC000342090994 445166935 /nfs/dbraw/zinc/16/69/35/445166935.db2.gz CIHSNRMSJIANDN-IACUBPJLSA-N 2 1 336.461 1.133 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NC(=O)NCc3cccs3)C[C@H]21 ZINC000342090994 445166940 /nfs/dbraw/zinc/16/69/40/445166940.db2.gz CIHSNRMSJIANDN-IACUBPJLSA-N 2 1 336.461 1.133 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342100345 445172156 /nfs/dbraw/zinc/17/21/56/445172156.db2.gz JWLZNKSYHIWPKS-WXYCVUISSA-N 2 1 330.432 1.172 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342100345 445172161 /nfs/dbraw/zinc/17/21/61/445172161.db2.gz JWLZNKSYHIWPKS-WXYCVUISSA-N 2 1 330.432 1.172 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)COc1ccc(F)cc1 ZINC000343272801 445172326 /nfs/dbraw/zinc/17/23/26/445172326.db2.gz VCSDKYQPOOMQTO-SPUZQDLCSA-N 2 1 338.423 1.312 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCCN3CCc4ccccc43)C[C@H]21 ZINC000342111862 445177860 /nfs/dbraw/zinc/17/78/60/445177860.db2.gz UVCMGVVUKYAFML-KZNAEPCWSA-N 2 1 342.487 1.225 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCCN3CCc4ccccc43)C[C@H]21 ZINC000342111862 445177863 /nfs/dbraw/zinc/17/78/63/445177863.db2.gz UVCMGVVUKYAFML-KZNAEPCWSA-N 2 1 342.487 1.225 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000343220412 445146483 /nfs/dbraw/zinc/14/64/83/445146483.db2.gz SDRNCIDOKMXYMK-CABCVRRESA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000346263249 445209497 /nfs/dbraw/zinc/20/94/97/445209497.db2.gz CJSBIBHKCAUOLL-MJQMVNBJSA-N 2 1 337.508 1.674 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000346263249 445209499 /nfs/dbraw/zinc/20/94/99/445209499.db2.gz CJSBIBHKCAUOLL-MJQMVNBJSA-N 2 1 337.508 1.674 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000346263249 445209501 /nfs/dbraw/zinc/20/95/01/445209501.db2.gz CJSBIBHKCAUOLL-MJQMVNBJSA-N 2 1 337.508 1.674 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000346263249 445209502 /nfs/dbraw/zinc/20/95/02/445209502.db2.gz CJSBIBHKCAUOLL-MJQMVNBJSA-N 2 1 337.508 1.674 20 0 EDADMP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000347193154 445233854 /nfs/dbraw/zinc/23/38/54/445233854.db2.gz JGGRWDWBDBUGBJ-IAGOWNOFSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000347193154 445233855 /nfs/dbraw/zinc/23/38/55/445233855.db2.gz JGGRWDWBDBUGBJ-IAGOWNOFSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000347193154 445233856 /nfs/dbraw/zinc/23/38/56/445233856.db2.gz JGGRWDWBDBUGBJ-IAGOWNOFSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347702295 445245514 /nfs/dbraw/zinc/24/55/14/445245514.db2.gz MIYBQLQGPHCSBL-IXDOHACOSA-N 2 1 339.524 1.827 20 0 EDADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000351625805 445246854 /nfs/dbraw/zinc/24/68/54/445246854.db2.gz BRKSGXHUIPABST-ZYSHUDEJSA-N 2 1 349.523 1.190 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000351625805 445246857 /nfs/dbraw/zinc/24/68/57/445246857.db2.gz BRKSGXHUIPABST-ZYSHUDEJSA-N 2 1 349.523 1.190 20 0 EDADMP CN(C[C@H](O)C[NH+](C)C1CC1)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000351625805 445246862 /nfs/dbraw/zinc/24/68/62/445246862.db2.gz BRKSGXHUIPABST-ZYSHUDEJSA-N 2 1 349.523 1.190 20 0 EDADMP Cc1cnc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)nc1N[C@H]1CCC[NH+](C)[C@@H]1C ZINC000343600368 445258716 /nfs/dbraw/zinc/25/87/16/445258716.db2.gz KCICFQZEFITBHL-WCXIOVBPSA-N 2 1 346.523 2.574 20 0 EDADMP Cc1cnc(N[C@@H]2CCC[NH+](C)[C@@H]2C)nc1N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343600368 445258719 /nfs/dbraw/zinc/25/87/19/445258719.db2.gz KCICFQZEFITBHL-WCXIOVBPSA-N 2 1 346.523 2.574 20 0 EDADMP Cc1cnc(N[C@@H]2CCC[NH+](C)[C@@H]2C)nc1N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343600368 445258722 /nfs/dbraw/zinc/25/87/22/445258722.db2.gz KCICFQZEFITBHL-WCXIOVBPSA-N 2 1 346.523 2.574 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)cc2F)CC1 ZINC000351820295 445333346 /nfs/dbraw/zinc/33/33/46/445333346.db2.gz FYVBITKGZVZAIX-GOEBONIOSA-N 2 1 348.466 1.777 20 0 EDADMP Cn1c2ccc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc2oc1=O ZINC000351807862 445328254 /nfs/dbraw/zinc/32/82/54/445328254.db2.gz ISPDVAONAYPDMX-DJIMGWMZSA-N 2 1 345.443 1.815 20 0 EDADMP Cn1c2ccc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc2oc1=O ZINC000351807862 445328258 /nfs/dbraw/zinc/32/82/58/445328258.db2.gz ISPDVAONAYPDMX-DJIMGWMZSA-N 2 1 345.443 1.815 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000352073619 445473505 /nfs/dbraw/zinc/47/35/05/445473505.db2.gz HTBOWDSBQISTOP-OAHLLOKOSA-N 2 1 326.485 1.294 20 0 EDADMP CC[C@@H](CNC(=O)CCOC1C[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000349007918 445473788 /nfs/dbraw/zinc/47/37/88/445473788.db2.gz VQXKONSHFGKIER-KRWDZBQOSA-N 2 1 331.460 1.318 20 0 EDADMP CC[C@H](C(=O)N1CCC([NH+](C)CCO)CC1)[N@@H+](C)Cc1ccccc1 ZINC000355799454 445484600 /nfs/dbraw/zinc/48/46/00/445484600.db2.gz BUPWRSIJXYHLCJ-LJQANCHMSA-N 2 1 347.503 1.812 20 0 EDADMP CC[C@H](C(=O)N1CCC([N@H+](C)CCO)CC1)[NH+](C)Cc1ccccc1 ZINC000355799454 445484603 /nfs/dbraw/zinc/48/46/03/445484603.db2.gz BUPWRSIJXYHLCJ-LJQANCHMSA-N 2 1 347.503 1.812 20 0 EDADMP CC[C@H](C(=O)N1CCC([N@@H+](C)CCO)CC1)[NH+](C)Cc1ccccc1 ZINC000355799454 445484608 /nfs/dbraw/zinc/48/46/08/445484608.db2.gz BUPWRSIJXYHLCJ-LJQANCHMSA-N 2 1 347.503 1.812 20 0 EDADMP C[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[N@H+]1CCCC[C@H]1C ZINC000354959133 445436298 /nfs/dbraw/zinc/43/62/98/445436298.db2.gz NSUAKHGPRDGZPM-CABCVRRESA-N 2 1 326.485 1.005 20 0 EDADMP CC[N@@H+]1CCc2nc(NC(=O)c3cc([C@@H]4CC[NH2+]C4)[nH]n3)sc2C1 ZINC000362556118 445438037 /nfs/dbraw/zinc/43/80/37/445438037.db2.gz QFRYBGWUTULQPJ-SNVBAGLBSA-N 2 1 346.460 1.573 20 0 EDADMP CC[N@H+]1CCc2nc(NC(=O)c3cc([C@@H]4CC[NH2+]C4)[nH]n3)sc2C1 ZINC000362556118 445438040 /nfs/dbraw/zinc/43/80/40/445438040.db2.gz QFRYBGWUTULQPJ-SNVBAGLBSA-N 2 1 346.460 1.573 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000357280037 445522909 /nfs/dbraw/zinc/52/29/09/445522909.db2.gz YYZJBVSSPXSZER-RDJZCZTQSA-N 2 1 336.480 1.291 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)ccn2)CC1 ZINC000352094598 445489318 /nfs/dbraw/zinc/48/93/18/445489318.db2.gz CXZKXEBRIHQVFZ-IRXDYDNUSA-N 2 1 343.475 1.190 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000349061990 445492306 /nfs/dbraw/zinc/49/23/06/445492306.db2.gz ZOOVWQWTQHSDNR-SFHVURJKSA-N 2 1 336.524 1.536 20 0 EDADMP CN(CC[N@@H+](C)Cc1ccc(-n2cncn2)cc1)C1CC[NH+](C)CC1 ZINC000349075017 445494971 /nfs/dbraw/zinc/49/49/71/445494971.db2.gz NVMXUGNQDKPHQM-UHFFFAOYSA-N 2 1 342.491 1.725 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H](N2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000359939833 445497117 /nfs/dbraw/zinc/49/71/17/445497117.db2.gz OMEZBZPXAFQKLB-BRWVUGGUSA-N 2 1 338.496 1.365 20 0 EDADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000352112065 445500316 /nfs/dbraw/zinc/50/03/16/445500316.db2.gz QCSHVHBDLNXKLB-ICSRJNTNSA-N 2 1 347.503 1.860 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000352853007 445559115 /nfs/dbraw/zinc/55/91/15/445559115.db2.gz KGWJEVBZCRKCTL-OALUTQOASA-N 2 1 345.487 1.614 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000352853007 445559120 /nfs/dbraw/zinc/55/91/20/445559120.db2.gz KGWJEVBZCRKCTL-OALUTQOASA-N 2 1 345.487 1.614 20 0 EDADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000356038614 445582954 /nfs/dbraw/zinc/58/29/54/445582954.db2.gz MQJNBTBRYYCXSK-GDBMZVCRSA-N 2 1 332.448 1.472 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000356038614 445582957 /nfs/dbraw/zinc/58/29/57/445582957.db2.gz MQJNBTBRYYCXSK-GDBMZVCRSA-N 2 1 332.448 1.472 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000358531468 445636915 /nfs/dbraw/zinc/63/69/15/445636915.db2.gz SPJMXHYSOMXFEI-OIISXLGYSA-N 2 1 333.480 1.666 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000357972052 445597087 /nfs/dbraw/zinc/59/70/87/445597087.db2.gz HTBYFDWVXJUIPB-UHFFFAOYSA-N 2 1 340.512 1.167 20 0 EDADMP CC(C)[N@@H+](CCO)CC(=O)N1CCN([C@H](C)c2ccccc2)CC1 ZINC000356227609 445686636 /nfs/dbraw/zinc/68/66/36/445686636.db2.gz WFUKTJWETNLWJP-QGZVFWFLSA-N 2 1 333.476 1.595 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000349833343 445692908 /nfs/dbraw/zinc/69/29/08/445692908.db2.gz KXAJIOPALLZQJT-HUUCEWRRSA-N 2 1 340.512 1.070 20 0 EDADMP COc1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc(OC)c1 ZINC000353670586 445700730 /nfs/dbraw/zinc/70/07/30/445700730.db2.gz MCKXFDPTURVIMB-UHFFFAOYSA-N 2 1 349.475 1.786 20 0 EDADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358678498 445711249 /nfs/dbraw/zinc/71/12/49/445711249.db2.gz GVIBWGFWXDEPEM-IBGZPJMESA-N 2 1 348.491 1.394 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000349941515 445727717 /nfs/dbraw/zinc/72/77/17/445727717.db2.gz ZILOSDAZXJVPDN-JKSUJKDBSA-N 2 1 349.479 1.513 20 0 EDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000349941515 445727723 /nfs/dbraw/zinc/72/77/23/445727723.db2.gz ZILOSDAZXJVPDN-JKSUJKDBSA-N 2 1 349.479 1.513 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000360911540 445738750 /nfs/dbraw/zinc/73/87/50/445738750.db2.gz CZRQVWNPFSMPLW-MRXNPFEDSA-N 2 1 337.508 1.556 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000360911540 445738755 /nfs/dbraw/zinc/73/87/55/445738755.db2.gz CZRQVWNPFSMPLW-MRXNPFEDSA-N 2 1 337.508 1.556 20 0 EDADMP COCC[NH+]1CCC([NH2+]CCn2cc(Br)cn2)CC1 ZINC000353956435 445826803 /nfs/dbraw/zinc/82/68/03/445826803.db2.gz MRSMSJVZTMNXIV-UHFFFAOYSA-N 2 1 331.258 1.346 20 0 EDADMP C[C@@H](C(=O)N(C)C)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358876800 445827034 /nfs/dbraw/zinc/82/70/34/445827034.db2.gz VHGNTWDIUIJXFO-OAGGEKHMSA-N 2 1 341.496 1.053 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000363459610 445813572 /nfs/dbraw/zinc/81/35/72/445813572.db2.gz OWHBTFJUHWNVQS-KRWDZBQOSA-N 2 1 333.436 1.376 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000363459610 445813576 /nfs/dbraw/zinc/81/35/76/445813576.db2.gz OWHBTFJUHWNVQS-KRWDZBQOSA-N 2 1 333.436 1.376 20 0 EDADMP CC[NH+]1CCC([N@H+](CCCN2C(=O)NC(C)(C)C2=O)C2CC2)CC1 ZINC000363458955 445813654 /nfs/dbraw/zinc/81/36/54/445813654.db2.gz DTOXNAUAHQZNSJ-UHFFFAOYSA-N 2 1 336.480 1.656 20 0 EDADMP CC[NH+]1CCC([N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C2CC2)CC1 ZINC000363458955 445813656 /nfs/dbraw/zinc/81/36/56/445813656.db2.gz DTOXNAUAHQZNSJ-UHFFFAOYSA-N 2 1 336.480 1.656 20 0 EDADMP C[NH+](C)[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)c1cccc(F)c1 ZINC000354065395 445884011 /nfs/dbraw/zinc/88/40/11/445884011.db2.gz NXRYIVZCYRDGES-MRXNPFEDSA-N 2 1 345.422 2.167 20 0 EDADMP Cn1cnc2c1CC[NH+](CCCCC[N@@H+]1CCc3c(ncn3C)C1)C2 ZINC000363507574 445836774 /nfs/dbraw/zinc/83/67/74/445836774.db2.gz YIQVYJLHPGUUIZ-UHFFFAOYSA-N 2 1 342.491 1.740 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000353985647 445840604 /nfs/dbraw/zinc/84/06/04/445840604.db2.gz DGKPNVQZVWKJEX-WVDLQDBSSA-N 2 1 336.524 1.388 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000350627009 445862294 /nfs/dbraw/zinc/86/22/94/445862294.db2.gz PSPCRAUVWRDUMD-HNNXBMFYSA-N 2 1 340.512 1.022 20 0 EDADMP Cc1ccc(NCCCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)[nH+]c1 ZINC000364217925 445901812 /nfs/dbraw/zinc/90/18/12/445901812.db2.gz GZNXNMQTACJTQG-URLQWDBASA-N 2 1 346.475 1.841 20 0 EDADMP C[N@@H+](CC(=O)Nc1ccccc1C(N)=O)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366009097 445959156 /nfs/dbraw/zinc/95/91/56/445959156.db2.gz QWMCFOXIJWFTCU-ZDUSSCGKSA-N 2 1 341.415 1.115 20 0 EDADMP C[N@H+](CC(=O)Nc1ccccc1C(N)=O)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366009097 445959161 /nfs/dbraw/zinc/95/91/61/445959161.db2.gz QWMCFOXIJWFTCU-ZDUSSCGKSA-N 2 1 341.415 1.115 20 0 EDADMP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000369198705 445988555 /nfs/dbraw/zinc/98/85/55/445988555.db2.gz YXEUOFVJFJTAOJ-ROUUACIJSA-N 2 1 345.491 1.639 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000354224702 446021703 /nfs/dbraw/zinc/02/17/03/446021703.db2.gz OSZODRDVIDNDGK-MAUKXSAKSA-N 2 1 336.524 1.534 20 0 EDADMP CCn1nccc1CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000351267437 446022439 /nfs/dbraw/zinc/02/24/39/446022439.db2.gz HANYMDOSDDNAKI-QZTJIDSGSA-N 2 1 333.524 1.936 20 0 EDADMP OCC1([NH2+]CC2CC2)CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000583384426 326063083 /nfs/dbraw/zinc/06/30/83/326063083.db2.gz SXJKTWVSXXDTHF-LJQANCHMSA-N 2 1 332.488 1.807 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@@H+]([C@H]3CC(=O)N(CC(F)(F)F)C3=O)C2)CC1 ZINC000365139317 446048921 /nfs/dbraw/zinc/04/89/21/446048921.db2.gz YTSXGOCNUSLDDZ-OLZOCXBDSA-N 2 1 347.381 1.340 20 0 EDADMP C[NH+]1CCC([C@@H]2CC[N@H+]([C@H]3CC(=O)N(CC(F)(F)F)C3=O)C2)CC1 ZINC000365139317 446048925 /nfs/dbraw/zinc/04/89/25/446048925.db2.gz YTSXGOCNUSLDDZ-OLZOCXBDSA-N 2 1 347.381 1.340 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000583563094 326096685 /nfs/dbraw/zinc/09/66/85/326096685.db2.gz CDNKJIGPRRFCGL-SFHVURJKSA-N 2 1 345.487 1.690 20 0 EDADMP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351478484 446078594 /nfs/dbraw/zinc/07/85/94/446078594.db2.gz PLKFWVCGBGNGGF-UHOSZYNNSA-N 2 1 345.487 1.974 20 0 EDADMP CC(C)c1ccc(OCCNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351478484 446078599 /nfs/dbraw/zinc/07/85/99/446078599.db2.gz PLKFWVCGBGNGGF-UHOSZYNNSA-N 2 1 345.487 1.974 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369641778 446137763 /nfs/dbraw/zinc/13/77/63/446137763.db2.gz UMXNPOQJOCGHLQ-STQMWFEESA-N 2 1 335.452 1.390 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369641778 446137767 /nfs/dbraw/zinc/13/77/67/446137767.db2.gz UMXNPOQJOCGHLQ-STQMWFEESA-N 2 1 335.452 1.390 20 0 EDADMP CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369647191 446139093 /nfs/dbraw/zinc/13/90/93/446139093.db2.gz IWBZDEVWEVCHQN-IBGZPJMESA-N 2 1 348.535 1.488 20 0 EDADMP CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369647191 446139096 /nfs/dbraw/zinc/13/90/96/446139096.db2.gz IWBZDEVWEVCHQN-IBGZPJMESA-N 2 1 348.535 1.488 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCN(Cc4ccsc4)CC3)C[C@H]12 ZINC000351488503 446089761 /nfs/dbraw/zinc/08/97/61/446089761.db2.gz GCQHTTDULXHCDZ-IXDOHACOSA-N 2 1 348.516 1.061 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCN(Cc4ccsc4)CC3)C[C@H]12 ZINC000351488503 446089766 /nfs/dbraw/zinc/08/97/66/446089766.db2.gz GCQHTTDULXHCDZ-IXDOHACOSA-N 2 1 348.516 1.061 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[NH+](C)[C@H](C)CC)C1 ZINC000359257054 446092487 /nfs/dbraw/zinc/09/24/87/446092487.db2.gz AWCLGXMIUHHDKE-HZPDHXFCSA-N 2 1 340.512 1.023 20 0 EDADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)[C@H](C)CC)C1 ZINC000359257054 446092490 /nfs/dbraw/zinc/09/24/90/446092490.db2.gz AWCLGXMIUHHDKE-HZPDHXFCSA-N 2 1 340.512 1.023 20 0 EDADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC)C1 ZINC000359257054 446092495 /nfs/dbraw/zinc/09/24/95/446092495.db2.gz AWCLGXMIUHHDKE-HZPDHXFCSA-N 2 1 340.512 1.023 20 0 EDADMP CN(CCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000351491370 446092933 /nfs/dbraw/zinc/09/29/33/446092933.db2.gz JUDVXQIWZGCKRM-JQHSSLGASA-N 2 1 330.476 1.298 20 0 EDADMP CN(CCCNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000351491370 446092940 /nfs/dbraw/zinc/09/29/40/446092940.db2.gz JUDVXQIWZGCKRM-JQHSSLGASA-N 2 1 330.476 1.298 20 0 EDADMP COc1c(C)c[nH+]c(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1C ZINC000369359407 446102167 /nfs/dbraw/zinc/10/21/67/446102167.db2.gz QYWMFQMQCDOLPK-QGZVFWFLSA-N 2 1 332.492 1.919 20 0 EDADMP COc1c(C)c[nH+]c(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000369359407 446102172 /nfs/dbraw/zinc/10/21/72/446102172.db2.gz QYWMFQMQCDOLPK-QGZVFWFLSA-N 2 1 332.492 1.919 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000359284514 446119771 /nfs/dbraw/zinc/11/97/71/446119771.db2.gz HBUVZPWVUOMYFA-JYJNAYRXSA-N 2 1 340.512 1.164 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000359284514 446119775 /nfs/dbraw/zinc/11/97/75/446119775.db2.gz HBUVZPWVUOMYFA-JYJNAYRXSA-N 2 1 340.512 1.164 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000359284514 446119780 /nfs/dbraw/zinc/11/97/80/446119780.db2.gz HBUVZPWVUOMYFA-JYJNAYRXSA-N 2 1 340.512 1.164 20 0 EDADMP CCOC(=O)c1coc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000354335208 446120220 /nfs/dbraw/zinc/12/02/20/446120220.db2.gz QMIJDPRNDXRTKH-UHFFFAOYSA-N 2 1 337.464 1.820 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC000354345748 446129381 /nfs/dbraw/zinc/12/93/81/446129381.db2.gz DIPKNOZQNVIJFH-ZWKOTPCHSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351564588 446162541 /nfs/dbraw/zinc/16/25/41/446162541.db2.gz SVPLBUKYORFVKB-GDBMZVCRSA-N 2 1 337.489 1.605 20 0 EDADMP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365361465 446168396 /nfs/dbraw/zinc/16/83/96/446168396.db2.gz WWDGTBOSJJMMNM-NXHRZFHOSA-N 2 1 345.512 1.987 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)CCN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000354407861 446184343 /nfs/dbraw/zinc/18/43/43/446184343.db2.gz KTTGFVAYQFNHCT-MSOLQXFVSA-N 2 1 338.540 1.639 20 0 EDADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000366394594 446190605 /nfs/dbraw/zinc/19/06/05/446190605.db2.gz ACFDACJGHYMKRA-CYBMUJFWSA-N 2 1 335.370 1.614 20 0 EDADMP CC(C)[N@H+]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)[C@@H](C)C1 ZINC000373381110 446190835 /nfs/dbraw/zinc/19/08/35/446190835.db2.gz ANYQQYACCKGUNQ-HOTGVXAUSA-N 2 1 347.507 1.570 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)[C@@H](C)C1 ZINC000373381110 446190844 /nfs/dbraw/zinc/19/08/44/446190844.db2.gz ANYQQYACCKGUNQ-HOTGVXAUSA-N 2 1 347.507 1.570 20 0 EDADMP CC(C)[NH+]1C[C@H](NC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)[C@@H](C)C1 ZINC000373381110 446190848 /nfs/dbraw/zinc/19/08/48/446190848.db2.gz ANYQQYACCKGUNQ-HOTGVXAUSA-N 2 1 347.507 1.570 20 0 EDADMP CC(C)[NH+]1C[C@H](NC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)[C@@H](C)C1 ZINC000373381110 446190853 /nfs/dbraw/zinc/19/08/53/446190853.db2.gz ANYQQYACCKGUNQ-HOTGVXAUSA-N 2 1 347.507 1.570 20 0 EDADMP CCCCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)C1(C)C ZINC000351623202 446215945 /nfs/dbraw/zinc/21/59/45/446215945.db2.gz HORXXPNBTGKGSN-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000370290518 446216397 /nfs/dbraw/zinc/21/63/97/446216397.db2.gz VQBFBHFYPAVOMJ-IRXDYDNUSA-N 2 1 343.537 1.466 20 0 EDADMP CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000370290518 446216403 /nfs/dbraw/zinc/21/64/03/446216403.db2.gz VQBFBHFYPAVOMJ-IRXDYDNUSA-N 2 1 343.537 1.466 20 0 EDADMP [NH3+]Cc1nc(-c2ccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)n[nH]1 ZINC000365557269 446254036 /nfs/dbraw/zinc/25/40/36/446254036.db2.gz NTKRYDXYKZETAT-GFCCVEGCSA-N 2 1 328.420 1.649 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000365564101 446255972 /nfs/dbraw/zinc/25/59/72/446255972.db2.gz DUPXOGHKCWAOMJ-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000373554335 446259047 /nfs/dbraw/zinc/25/90/47/446259047.db2.gz KYACNXQJQDBGAZ-SFHVURJKSA-N 2 1 331.460 1.996 20 0 EDADMP COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000373554335 446259053 /nfs/dbraw/zinc/25/90/53/446259053.db2.gz KYACNXQJQDBGAZ-SFHVURJKSA-N 2 1 331.460 1.996 20 0 EDADMP CSC1(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)CCC1 ZINC000365611472 446273311 /nfs/dbraw/zinc/27/33/11/446273311.db2.gz IJBSQMWSDFXKLI-KRWDZBQOSA-N 2 1 341.565 1.999 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000365664848 446292970 /nfs/dbraw/zinc/29/29/70/446292970.db2.gz RNFQTISLSRIJKQ-KRWDZBQOSA-N 2 1 330.492 1.199 20 0 EDADMP CN(C)CC[NH+](C)CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000365664848 446292973 /nfs/dbraw/zinc/29/29/73/446292973.db2.gz RNFQTISLSRIJKQ-KRWDZBQOSA-N 2 1 330.492 1.199 20 0 EDADMP CN(C)CC[NH+](C)CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000365664848 446292976 /nfs/dbraw/zinc/29/29/76/446292976.db2.gz RNFQTISLSRIJKQ-KRWDZBQOSA-N 2 1 330.492 1.199 20 0 EDADMP CN(CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)CC[NH+](C)C ZINC000365664848 446292979 /nfs/dbraw/zinc/29/29/79/446292979.db2.gz RNFQTISLSRIJKQ-KRWDZBQOSA-N 2 1 330.492 1.199 20 0 EDADMP CN(CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)CC[NH+](C)C ZINC000365664848 446292982 /nfs/dbraw/zinc/29/29/82/446292982.db2.gz RNFQTISLSRIJKQ-KRWDZBQOSA-N 2 1 330.492 1.199 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CCCO1 ZINC000370489703 446302813 /nfs/dbraw/zinc/30/28/13/446302813.db2.gz CIBYDJJGXVLNDG-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCO1 ZINC000370489703 446302817 /nfs/dbraw/zinc/30/28/17/446302817.db2.gz CIBYDJJGXVLNDG-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCO1 ZINC000370489703 446302822 /nfs/dbraw/zinc/30/28/22/446302822.db2.gz CIBYDJJGXVLNDG-IXDOHACOSA-N 2 1 338.496 1.413 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000365713121 446311468 /nfs/dbraw/zinc/31/14/68/446311468.db2.gz QPGWTHAFRWRPCW-UKPHBRMFSA-N 2 1 339.867 1.813 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])c1ccccc1 ZINC000417515934 446359089 /nfs/dbraw/zinc/35/90/89/446359089.db2.gz MGOIDYVLVIIWRP-RDJZCZTQSA-N 2 1 336.480 1.685 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000370633894 446365458 /nfs/dbraw/zinc/36/54/58/446365458.db2.gz JFPGGONDVUIIJS-KCYZZUKISA-N 2 1 330.476 1.683 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@](O)(C2CC2)C1)c1ccccc1 ZINC000365851896 446370902 /nfs/dbraw/zinc/37/09/02/446370902.db2.gz XIZHTRMCTDEOGJ-MJGOQNOKSA-N 2 1 331.460 1.252 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000374872125 446427465 /nfs/dbraw/zinc/42/74/65/446427465.db2.gz GECVBHNGMWWKBX-ICSRJNTNSA-N 2 1 345.487 1.739 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000374872125 446427469 /nfs/dbraw/zinc/42/74/69/446427469.db2.gz GECVBHNGMWWKBX-ICSRJNTNSA-N 2 1 345.487 1.739 20 0 EDADMP CN1CCN(C(=O)CC[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)CC1 ZINC000366977001 446440232 /nfs/dbraw/zinc/44/02/32/446440232.db2.gz QKMQMMOKQDZOOC-QGZVFWFLSA-N 2 1 348.535 1.347 20 0 EDADMP C[N@H+](C[C@H]1CC12CC[NH+](CCC(=O)N1CC[NH+](C)CC1)CC2)C1CC1 ZINC000366977001 446440239 /nfs/dbraw/zinc/44/02/39/446440239.db2.gz QKMQMMOKQDZOOC-QGZVFWFLSA-N 3 1 348.535 1.347 20 0 EDADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCC(=O)N1CC[NH+](C)CC1)CC2)C1CC1 ZINC000366977001 446440246 /nfs/dbraw/zinc/44/02/46/446440246.db2.gz QKMQMMOKQDZOOC-QGZVFWFLSA-N 3 1 348.535 1.347 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000376350560 446447877 /nfs/dbraw/zinc/44/78/77/446447877.db2.gz IWTHJBZXXNGCIX-WBVHZDCISA-N 2 1 338.496 1.101 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000376350560 446447885 /nfs/dbraw/zinc/44/78/85/446447885.db2.gz IWTHJBZXXNGCIX-WBVHZDCISA-N 2 1 338.496 1.101 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000370731350 446407483 /nfs/dbraw/zinc/40/74/83/446407483.db2.gz WALAHSLRHCQQQO-OIISXLGYSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418009376 446414556 /nfs/dbraw/zinc/41/45/56/446414556.db2.gz PALCVMKLJVKLBW-WBAXXEDZSA-N 2 1 330.476 1.934 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000625571115 450431628 /nfs/dbraw/zinc/43/16/28/450431628.db2.gz RBBBCJITCVKZOZ-YTQUADARSA-N 2 1 344.503 1.084 20 0 EDADMP CC(C)c1nccn1[C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374912400 446454834 /nfs/dbraw/zinc/45/48/34/446454834.db2.gz KGXKVSHHUVFUBZ-KRWDZBQOSA-N 2 1 347.507 1.808 20 0 EDADMP CC(C)c1nccn1[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374912400 446454841 /nfs/dbraw/zinc/45/48/41/446454841.db2.gz KGXKVSHHUVFUBZ-KRWDZBQOSA-N 2 1 347.507 1.808 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000420306186 446470506 /nfs/dbraw/zinc/47/05/06/446470506.db2.gz AAISTPXVCDOAAL-LPHOPBHVSA-N 3 1 349.519 1.762 20 0 EDADMP COc1ccc([C@@H](CN)C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000420306186 446470512 /nfs/dbraw/zinc/47/05/12/446470512.db2.gz AAISTPXVCDOAAL-LPHOPBHVSA-N 2 1 349.519 1.762 20 0 EDADMP COc1ccc([C@@H](CN)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000420306186 446470516 /nfs/dbraw/zinc/47/05/16/446470516.db2.gz AAISTPXVCDOAAL-LPHOPBHVSA-N 2 1 349.519 1.762 20 0 EDADMP COC(=O)c1ccc(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420309237 446472218 /nfs/dbraw/zinc/47/22/18/446472218.db2.gz DQVJTYXHSAXEAL-MRXNPFEDSA-N 2 1 345.443 1.733 20 0 EDADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420308478 446472221 /nfs/dbraw/zinc/47/22/21/446472221.db2.gz SHLQXDVOTZYFTH-FYQPLNBISA-N 2 1 347.503 1.639 20 0 EDADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420308478 446472223 /nfs/dbraw/zinc/47/22/23/446472223.db2.gz SHLQXDVOTZYFTH-FYQPLNBISA-N 2 1 347.503 1.639 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420312185 446474985 /nfs/dbraw/zinc/47/49/85/446474985.db2.gz RTAOYQOHGHCFAJ-WWGRRREGSA-N 2 1 333.432 1.147 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420312185 446474993 /nfs/dbraw/zinc/47/49/93/446474993.db2.gz RTAOYQOHGHCFAJ-WWGRRREGSA-N 2 1 333.432 1.147 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420311341 446475816 /nfs/dbraw/zinc/47/58/16/446475816.db2.gz QXRUMDXOFNKYEP-GOEBONIOSA-N 2 1 325.478 1.117 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420311341 446475822 /nfs/dbraw/zinc/47/58/22/446475822.db2.gz QXRUMDXOFNKYEP-GOEBONIOSA-N 2 1 325.478 1.117 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])[C@@H]1c1ccccc1 ZINC000418190170 446453531 /nfs/dbraw/zinc/45/35/31/446453531.db2.gz WEKLHSPBFYDITC-JHNDHUHGSA-N 2 1 334.464 1.483 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])[C@@H]1c1ccccc1 ZINC000418190170 446453537 /nfs/dbraw/zinc/45/35/37/446453537.db2.gz WEKLHSPBFYDITC-JHNDHUHGSA-N 2 1 334.464 1.483 20 0 EDADMP C[C@@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000432545416 446482843 /nfs/dbraw/zinc/48/28/43/446482843.db2.gz ILEFWZUAFPSOSA-NXOAAHMSSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420319929 446486014 /nfs/dbraw/zinc/48/60/14/446486014.db2.gz BAERTEGNGQVRSX-DOTOQJQBSA-N 2 1 331.460 1.379 20 0 EDADMP C[C@@H](C(=O)NCc1ccccc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420319929 446486019 /nfs/dbraw/zinc/48/60/19/446486019.db2.gz BAERTEGNGQVRSX-DOTOQJQBSA-N 2 1 331.460 1.379 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000423328628 446489424 /nfs/dbraw/zinc/48/94/24/446489424.db2.gz KYUQHXGJAQAXCT-CJNGLKHVSA-N 2 1 333.432 1.747 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000423328628 446489430 /nfs/dbraw/zinc/48/94/30/446489430.db2.gz KYUQHXGJAQAXCT-CJNGLKHVSA-N 2 1 333.432 1.747 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000423326054 446489680 /nfs/dbraw/zinc/48/96/80/446489680.db2.gz JDNARKMAVNYUIN-CJNGLKHVSA-N 2 1 333.432 1.890 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000423326054 446489687 /nfs/dbraw/zinc/48/96/87/446489687.db2.gz JDNARKMAVNYUIN-CJNGLKHVSA-N 2 1 333.432 1.890 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000423338816 446494236 /nfs/dbraw/zinc/49/42/36/446494236.db2.gz UYZWURZDMHZVIC-HNNXBMFYSA-N 2 1 336.484 1.259 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000423364575 446501458 /nfs/dbraw/zinc/50/14/58/446501458.db2.gz OSVZGWLSRHXFQY-MDZRGWNJSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000423364575 446501465 /nfs/dbraw/zinc/50/14/65/446501465.db2.gz OSVZGWLSRHXFQY-MDZRGWNJSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CC3(C[NH3+])CC3)c2)CCO1 ZINC000423363323 446501865 /nfs/dbraw/zinc/50/18/65/446501865.db2.gz NXGOFARXSBTJFM-OAHLLOKOSA-N 2 1 331.460 1.653 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CC3(C[NH3+])CC3)c2)CCO1 ZINC000423363323 446501873 /nfs/dbraw/zinc/50/18/73/446501873.db2.gz NXGOFARXSBTJFM-OAHLLOKOSA-N 2 1 331.460 1.653 20 0 EDADMP CCN(C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000420333219 446502190 /nfs/dbraw/zinc/50/21/90/446502190.db2.gz SMMHQBFLBZUNOC-MRXNPFEDSA-N 2 1 331.460 1.727 20 0 EDADMP CCN(C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000420333219 446502198 /nfs/dbraw/zinc/50/21/98/446502198.db2.gz SMMHQBFLBZUNOC-MRXNPFEDSA-N 2 1 331.460 1.727 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCc1ccc2c(c1)OCO2 ZINC000420339510 446509292 /nfs/dbraw/zinc/50/92/92/446509292.db2.gz LXHJTXJQHCMGNR-HOTGVXAUSA-N 2 1 345.443 1.353 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000420340258 446511250 /nfs/dbraw/zinc/51/12/50/446511250.db2.gz TZNGFFJPGWUCAP-MCIONIFRSA-N 2 1 349.397 1.368 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N[C@H]1CCOc2ccccc21 ZINC000420331506 446500279 /nfs/dbraw/zinc/50/02/79/446500279.db2.gz CBUCBLWURDVLEV-RYRKJORJSA-N 2 1 343.471 1.948 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000418477617 446558464 /nfs/dbraw/zinc/55/84/64/446558464.db2.gz YHDMUGUPQRDUQW-HUUCEWRRSA-N 2 1 326.485 1.399 20 0 EDADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1OC ZINC000423518428 446559315 /nfs/dbraw/zinc/55/93/15/446559315.db2.gz ORIPXGPZOLLWDQ-GDBMZVCRSA-N 2 1 338.448 1.750 20 0 EDADMP O=C(NC[C@H]1CCC[NH2+]1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418368102 446516809 /nfs/dbraw/zinc/51/68/09/446516809.db2.gz MABSALWJULRGOE-FGTMMUONSA-N 2 1 328.460 1.512 20 0 EDADMP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C[NH2+]1 ZINC000420392054 446566498 /nfs/dbraw/zinc/56/64/98/446566498.db2.gz IWNKCWUZDXYJTH-IAGOWNOFSA-N 2 1 330.476 1.013 20 0 EDADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000423405963 446520015 /nfs/dbraw/zinc/52/00/15/446520015.db2.gz ZTPWRWKUMJTYLV-FPCVCCKLSA-N 3 1 348.457 1.723 20 0 EDADMP [NH3+]C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)C1CCCCC1 ZINC000418377698 446520585 /nfs/dbraw/zinc/52/05/85/446520585.db2.gz JFOAWEMBQDJGGC-CVEARBPZSA-N 2 1 326.485 1.040 20 0 EDADMP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348267 446523991 /nfs/dbraw/zinc/52/39/91/446523991.db2.gz KKVBUYVPNNBQTP-MJGOQNOKSA-N 2 1 344.503 1.022 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3(C)C[NH2+]C3)C2)cc(OC)c1 ZINC000423422074 446527816 /nfs/dbraw/zinc/52/78/16/446527816.db2.gz CQFZPKBUEORTKD-CQSZACIVSA-N 2 1 333.432 1.004 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C3(C)C[NH2+]C3)C2)cc(OC)c1 ZINC000423422074 446527822 /nfs/dbraw/zinc/52/78/22/446527822.db2.gz CQFZPKBUEORTKD-CQSZACIVSA-N 2 1 333.432 1.004 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411414742 446530320 /nfs/dbraw/zinc/53/03/20/446530320.db2.gz BYDJDRPXHZIYTD-SFHVURJKSA-N 2 1 348.466 1.500 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418497506 446567012 /nfs/dbraw/zinc/56/70/12/446567012.db2.gz KKBJIICKKFATGG-PKOBYXMFSA-N 2 1 346.475 1.002 20 0 EDADMP C[N@@H+](CCC(=O)Nc1cccc(Br)c1)C[C@@H](O)C[NH3+] ZINC000420352033 446531818 /nfs/dbraw/zinc/53/18/18/446531818.db2.gz LPFDAKSAWTTYOS-LBPRGKRZSA-N 2 1 330.226 1.029 20 0 EDADMP C[C@H]1C[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C[N@H+]1Cc1ccccc1 ZINC000423434987 446536159 /nfs/dbraw/zinc/53/61/59/446536159.db2.gz KZIUAIJSNHUNLW-HOCLYGCPSA-N 2 1 342.447 1.020 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)NCC(C)(C)[NH3+])CC2)cn1 ZINC000418418994 446537302 /nfs/dbraw/zinc/53/73/02/446537302.db2.gz YSCSYHPDPFXITK-UHFFFAOYSA-N 2 1 336.484 1.248 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)NCC(C)(C)[NH3+])CC2)cn1 ZINC000418418994 446537309 /nfs/dbraw/zinc/53/73/09/446537309.db2.gz YSCSYHPDPFXITK-UHFFFAOYSA-N 2 1 336.484 1.248 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433153596 446538427 /nfs/dbraw/zinc/53/84/27/446538427.db2.gz WRLHIGCQZRSRMN-SFHVURJKSA-N 3 1 338.540 1.961 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433153596 446538431 /nfs/dbraw/zinc/53/84/31/446538431.db2.gz WRLHIGCQZRSRMN-SFHVURJKSA-N 2 1 338.540 1.961 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433153596 446538434 /nfs/dbraw/zinc/53/84/34/446538434.db2.gz WRLHIGCQZRSRMN-SFHVURJKSA-N 2 1 338.540 1.961 20 0 EDADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418430578 446539994 /nfs/dbraw/zinc/53/99/94/446539994.db2.gz PHPIXMPLJAQHJA-QGZVFWFLSA-N 2 1 347.507 1.402 20 0 EDADMP Cc1cccc(NCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)[nH+]1 ZINC000423446245 446540561 /nfs/dbraw/zinc/54/05/61/446540561.db2.gz YVEPMHALGDTKFL-OAHLLOKOSA-N 2 1 328.420 1.353 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000418433254 446542037 /nfs/dbraw/zinc/54/20/37/446542037.db2.gz CTMZBJXDXUOFAD-HNNXBMFYSA-N 2 1 338.521 1.991 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCn2cc(Br)ccc2=O)CC[N@H+]1C ZINC000453258487 446552107 /nfs/dbraw/zinc/55/21/07/446552107.db2.gz WGGJAOPQQTVZBF-WCQYABFASA-N 2 1 328.254 1.683 20 0 EDADMP OCC[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433342444 446556091 /nfs/dbraw/zinc/55/60/91/446556091.db2.gz WIEHMIUZLPINFG-UHFFFAOYSA-N 2 1 347.463 1.149 20 0 EDADMP C[C@H](CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000433334857 446556484 /nfs/dbraw/zinc/55/64/84/446556484.db2.gz NAJLZOHOJFGDNZ-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H]1C[C@H](CNC(=O)N2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000371007537 446569801 /nfs/dbraw/zinc/56/98/01/446569801.db2.gz VMMLBBZNKCLRAE-FUHWJXTLSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H]1C[C@H](CNC(=O)N2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000371007537 446569807 /nfs/dbraw/zinc/56/98/07/446569807.db2.gz VMMLBBZNKCLRAE-FUHWJXTLSA-N 2 1 330.476 1.854 20 0 EDADMP CN(C(=O)NCC(F)(F)C[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000418513266 446574266 /nfs/dbraw/zinc/57/42/66/446574266.db2.gz MLZXSCAYCGPFBL-UHFFFAOYSA-N 2 1 340.418 1.886 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C3CCC3)CC2)CCCO1 ZINC000433462866 446577569 /nfs/dbraw/zinc/57/75/69/446577569.db2.gz MKEITIZRRBLSMQ-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP CN(C(=O)NC[C@@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418530974 446583913 /nfs/dbraw/zinc/58/39/13/446583913.db2.gz VVMLDURHFWNCLU-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420417264 446591154 /nfs/dbraw/zinc/59/11/54/446591154.db2.gz WEFLFODVLWJQKN-AGIUHOORSA-N 2 1 336.411 1.779 20 0 EDADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420417264 446591158 /nfs/dbraw/zinc/59/11/58/446591158.db2.gz WEFLFODVLWJQKN-AGIUHOORSA-N 2 1 336.411 1.779 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000418563267 446595189 /nfs/dbraw/zinc/59/51/89/446595189.db2.gz SEBPWUVFRPTFIY-QGZVFWFLSA-N 2 1 347.507 1.183 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000411548207 446595963 /nfs/dbraw/zinc/59/59/63/446595963.db2.gz DLPYHGJXHZMTOM-ULQDDVLXSA-N 2 1 325.497 1.772 20 0 EDADMP COCCCC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371085965 446619788 /nfs/dbraw/zinc/61/97/88/446619788.db2.gz JSPFTCIYMPCEJJ-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C ZINC000433871485 446603517 /nfs/dbraw/zinc/60/35/17/446603517.db2.gz WVLWWZNDLOBUBG-HOCLYGCPSA-N 2 1 339.505 1.851 20 0 EDADMP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000418595786 446608853 /nfs/dbraw/zinc/60/88/53/446608853.db2.gz XGVDBSYXBHEERW-MSOLQXFVSA-N 2 1 330.476 1.826 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418699951 446652938 /nfs/dbraw/zinc/65/29/38/446652938.db2.gz OFDNCYXSDGGWMH-ZMSDIMECSA-N 2 1 333.480 1.813 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418699949 446653271 /nfs/dbraw/zinc/65/32/71/446653271.db2.gz OFDNCYXSDGGWMH-YQQAZPJKSA-N 2 1 333.480 1.813 20 0 EDADMP COC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371161462 446663839 /nfs/dbraw/zinc/66/38/39/446663839.db2.gz WMPBICDFXBOKFW-OAHLLOKOSA-N 2 1 325.497 1.676 20 0 EDADMP COC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371161462 446663847 /nfs/dbraw/zinc/66/38/47/446663847.db2.gz WMPBICDFXBOKFW-OAHLLOKOSA-N 2 1 325.497 1.676 20 0 EDADMP Cc1cc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000371093643 446624971 /nfs/dbraw/zinc/62/49/71/446624971.db2.gz LMAZGAXBPVLMNR-UHFFFAOYSA-N 2 1 347.507 1.655 20 0 EDADMP CCOC(=O)CC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371096043 446626090 /nfs/dbraw/zinc/62/60/90/446626090.db2.gz YYTBVHRFSGLPLR-UHFFFAOYSA-N 2 1 339.480 1.252 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418756525 446675651 /nfs/dbraw/zinc/67/56/51/446675651.db2.gz CRLZNOMQJOBVBU-GJZGRUSLSA-N 2 1 326.485 1.114 20 0 EDADMP O[C@H](C[NH+]1CC[C@]2(C1)CCCOC2)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375274355 446687167 /nfs/dbraw/zinc/68/71/67/446687167.db2.gz ACEZKNNEWMZDSS-REPLKXPHSA-N 2 1 338.492 1.352 20 0 EDADMP O[C@@H](C[NH+]1CC[C@@]2(C1)CCCOC2)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375274355 446687174 /nfs/dbraw/zinc/68/71/74/446687174.db2.gz ACEZKNNEWMZDSS-REPLKXPHSA-N 2 1 338.492 1.352 20 0 EDADMP O[C@@H](C[NH+]1CC[C@@]2(C1)CCCOC2)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375274355 446687181 /nfs/dbraw/zinc/68/71/81/446687181.db2.gz ACEZKNNEWMZDSS-REPLKXPHSA-N 2 1 338.492 1.352 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)cn1 ZINC000423762036 446691324 /nfs/dbraw/zinc/69/13/24/446691324.db2.gz RVSYAIYBJWEOMN-HKUYNNGSSA-N 2 1 345.491 1.327 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)cn1 ZINC000423762036 446691331 /nfs/dbraw/zinc/69/13/31/446691331.db2.gz RVSYAIYBJWEOMN-HKUYNNGSSA-N 2 1 345.491 1.327 20 0 EDADMP Cn1cncc1CNC(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000368196895 446702347 /nfs/dbraw/zinc/70/23/47/446702347.db2.gz YROALPCDPWDZSB-QGZVFWFLSA-N 2 1 341.459 1.926 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000376758825 446702298 /nfs/dbraw/zinc/70/22/98/446702298.db2.gz RJDPXUNMLPLYBC-FQEVSTJZSA-N 2 1 343.471 1.672 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000376758825 446702302 /nfs/dbraw/zinc/70/23/02/446702302.db2.gz RJDPXUNMLPLYBC-FQEVSTJZSA-N 2 1 343.471 1.672 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000453913887 446706709 /nfs/dbraw/zinc/70/67/09/446706709.db2.gz HCCTYWJFVKXPBK-DOTOQJQBSA-N 2 1 344.459 1.158 20 0 EDADMP Cc1nc(N(C)C[C@H]2CCC[NH+]2C)nc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000420633015 446713341 /nfs/dbraw/zinc/71/33/41/446713341.db2.gz IOOYMYSRDLVKJB-IYBDPMFKSA-N 2 1 347.511 1.241 20 0 EDADMP Cc1nc(N(C)C[C@H]2CCC[N@@H+]2C)nc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000420633015 446713346 /nfs/dbraw/zinc/71/33/46/446713346.db2.gz IOOYMYSRDLVKJB-IYBDPMFKSA-N 2 1 347.511 1.241 20 0 EDADMP Cc1nc(N(C)C[C@H]2CCC[N@H+]2C)nc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000420633015 446713352 /nfs/dbraw/zinc/71/33/52/446713352.db2.gz IOOYMYSRDLVKJB-IYBDPMFKSA-N 2 1 347.511 1.241 20 0 EDADMP CO[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423832657 446721600 /nfs/dbraw/zinc/72/16/00/446721600.db2.gz SEIIGZINYUZMRO-BZUAXINKSA-N 2 1 341.402 1.579 20 0 EDADMP CO[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423832657 446721604 /nfs/dbraw/zinc/72/16/04/446721604.db2.gz SEIIGZINYUZMRO-BZUAXINKSA-N 2 1 341.402 1.579 20 0 EDADMP CC(C)CC[C@H](O)C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375334122 446727792 /nfs/dbraw/zinc/72/77/92/446727792.db2.gz BPBAUZUMKHURDG-SFHVURJKSA-N 2 1 327.513 1.123 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000371274170 446734323 /nfs/dbraw/zinc/73/43/23/446734323.db2.gz CTSAKUBCVLXFLM-IBGZPJMESA-N 2 1 348.535 1.491 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000423751101 446680485 /nfs/dbraw/zinc/68/04/85/446680485.db2.gz YEGGTQKRRVPSEJ-ZHALLVOQSA-N 2 1 336.524 1.523 20 0 EDADMP COC(=O)CC[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000423888002 446745392 /nfs/dbraw/zinc/74/53/92/446745392.db2.gz GVNQFKCWWKNUQN-GOEBONIOSA-N 2 1 333.432 1.172 20 0 EDADMP COC(=O)CC[N@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000423888002 446745398 /nfs/dbraw/zinc/74/53/98/446745398.db2.gz GVNQFKCWWKNUQN-GOEBONIOSA-N 2 1 333.432 1.172 20 0 EDADMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423896082 446750223 /nfs/dbraw/zinc/75/02/23/446750223.db2.gz GFGWMJOZBJKTCX-WJFTUGDTSA-N 2 1 343.471 1.222 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000376924802 446800406 /nfs/dbraw/zinc/80/04/06/446800406.db2.gz ZROMPKXPAZDPQL-UHFFFAOYSA-N 2 1 330.476 1.846 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000423934823 446786688 /nfs/dbraw/zinc/78/66/88/446786688.db2.gz WTQMBRIOHWRIMO-CMKODMSKSA-N 2 1 345.487 1.954 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000423934823 446786696 /nfs/dbraw/zinc/78/66/96/446786696.db2.gz WTQMBRIOHWRIMO-CMKODMSKSA-N 2 1 345.487 1.954 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000423935118 446787292 /nfs/dbraw/zinc/78/72/92/446787292.db2.gz YKTMFUABRVVUSC-UBDQQSCGSA-N 2 1 333.476 1.938 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000423935118 446787300 /nfs/dbraw/zinc/78/73/00/446787300.db2.gz YKTMFUABRVVUSC-UBDQQSCGSA-N 2 1 333.476 1.938 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[NH+](C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000454250930 446826382 /nfs/dbraw/zinc/82/63/82/446826382.db2.gz BZBKRUOPBVAWRA-DLBZAZTESA-N 2 1 347.507 1.446 20 0 EDADMP C[N@H+]1CCC[C@H](CNCC(=O)NC[C@H]2CCCO2)[C@H]1c1ccccc1 ZINC000375448427 446805957 /nfs/dbraw/zinc/80/59/57/446805957.db2.gz LUCYLRISFFWWTN-QWFCFKBJSA-N 2 1 345.487 1.954 20 0 EDADMP C[N@@H+]1CCC[C@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H]1c1ccccc1 ZINC000375448427 446805964 /nfs/dbraw/zinc/80/59/64/446805964.db2.gz LUCYLRISFFWWTN-QWFCFKBJSA-N 2 1 345.487 1.954 20 0 EDADMP C[N@H+]1CCC[C@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H]1c1ccccc1 ZINC000375448427 446805974 /nfs/dbraw/zinc/80/59/74/446805974.db2.gz LUCYLRISFFWWTN-QWFCFKBJSA-N 2 1 345.487 1.954 20 0 EDADMP C[N@@H+]1CCC[C@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H]1c1ccccc1 ZINC000375452016 446809002 /nfs/dbraw/zinc/80/90/02/446809002.db2.gz COQCCVRRMOLUGZ-YLJYHZDGSA-N 2 1 345.487 1.954 20 0 EDADMP C[N@H+]1CCC[C@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H]1c1ccccc1 ZINC000375452016 446809009 /nfs/dbraw/zinc/80/90/09/446809009.db2.gz COQCCVRRMOLUGZ-YLJYHZDGSA-N 2 1 345.487 1.954 20 0 EDADMP COC(=O)[C@]1(C)CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000412111415 446866845 /nfs/dbraw/zinc/86/68/45/446866845.db2.gz VXCLYCBCQOYMGA-GOSISDBHSA-N 2 1 339.480 1.251 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000424439891 446870940 /nfs/dbraw/zinc/87/09/40/446870940.db2.gz SVFDPSIYSDQPKF-HNNXBMFYSA-N 2 1 333.480 1.459 20 0 EDADMP C[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412132225 446875161 /nfs/dbraw/zinc/87/51/61/446875161.db2.gz PSRKFPSJZSXSSB-YVSFHVDLSA-N 2 1 325.497 1.817 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1 ZINC000424458008 446876261 /nfs/dbraw/zinc/87/62/61/446876261.db2.gz SMHWAHBBLUKXSX-INIZCTEOSA-N 2 1 332.448 1.191 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1 ZINC000424458008 446876269 /nfs/dbraw/zinc/87/62/69/446876269.db2.gz SMHWAHBBLUKXSX-INIZCTEOSA-N 2 1 332.448 1.191 20 0 EDADMP C[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H](C)[N@@H+]1C ZINC000454537588 446905041 /nfs/dbraw/zinc/90/50/41/446905041.db2.gz HOOMSUCQNRSZGJ-IYBDPMFKSA-N 2 1 338.496 1.365 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[NH+](CC2CCC2)CC1)[C@H]1CCSC1 ZINC000412308209 446929218 /nfs/dbraw/zinc/92/92/18/446929218.db2.gz IVYAZCZXOJSHAE-INIZCTEOSA-N 2 1 325.522 1.758 20 0 EDADMP C[NH+](CC(=O)N1CCC[N@H+](CC2CCC2)CC1)[C@H]1CCSC1 ZINC000412308209 446929224 /nfs/dbraw/zinc/92/92/24/446929224.db2.gz IVYAZCZXOJSHAE-INIZCTEOSA-N 2 1 325.522 1.758 20 0 EDADMP C[NH+](CC(=O)N1CCC[N@@H+](CC2CCC2)CC1)[C@H]1CCSC1 ZINC000412308209 446929227 /nfs/dbraw/zinc/92/92/27/446929227.db2.gz IVYAZCZXOJSHAE-INIZCTEOSA-N 2 1 325.522 1.758 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000442758561 446953947 /nfs/dbraw/zinc/95/39/47/446953947.db2.gz ORQRKAYLXOHKBD-WCQYABFASA-N 2 1 345.365 1.871 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000442758561 446953950 /nfs/dbraw/zinc/95/39/50/446953950.db2.gz ORQRKAYLXOHKBD-WCQYABFASA-N 2 1 345.365 1.871 20 0 EDADMP CCC[NH+](C)CC(=O)N1CC[C@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC000442820562 446979699 /nfs/dbraw/zinc/97/96/99/446979699.db2.gz BVQSXWPRUODWDS-GOSISDBHSA-N 2 1 340.512 1.025 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@@]1(C)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC000442820562 446979702 /nfs/dbraw/zinc/97/97/02/446979702.db2.gz BVQSXWPRUODWDS-GOSISDBHSA-N 2 1 340.512 1.025 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@@]1(C)CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC000442820562 446979706 /nfs/dbraw/zinc/97/97/06/446979706.db2.gz BVQSXWPRUODWDS-GOSISDBHSA-N 2 1 340.512 1.025 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419166248 446984463 /nfs/dbraw/zinc/98/44/63/446984463.db2.gz HJDBTYWOUAMQPN-HNNXBMFYSA-N 2 1 338.496 1.001 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)[C@H](C)C1 ZINC000372056515 446985430 /nfs/dbraw/zinc/98/54/30/446985430.db2.gz QNNYYEPVZNTEPC-VXLLPVPCSA-N 2 1 343.537 1.653 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1COC(=O)N1CCOCC1 ZINC000375801910 447063478 /nfs/dbraw/zinc/06/34/78/447063478.db2.gz OVFBPJONNQCJBH-IAGOWNOFSA-N 2 1 339.480 1.794 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1COC(=O)N1CCOCC1 ZINC000375801910 447063480 /nfs/dbraw/zinc/06/34/80/447063480.db2.gz OVFBPJONNQCJBH-IAGOWNOFSA-N 2 1 339.480 1.794 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCOCC1 ZINC000375801910 447063483 /nfs/dbraw/zinc/06/34/83/447063483.db2.gz OVFBPJONNQCJBH-IAGOWNOFSA-N 2 1 339.480 1.794 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1COC(=O)N1CCOCC1 ZINC000375801910 447063486 /nfs/dbraw/zinc/06/34/86/447063486.db2.gz OVFBPJONNQCJBH-IAGOWNOFSA-N 2 1 339.480 1.794 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000375889927 447123386 /nfs/dbraw/zinc/12/33/86/447123386.db2.gz LUMFEBIDGKAYOH-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H](C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)[NH+]1CCCCCC1 ZINC000372494785 447089259 /nfs/dbraw/zinc/08/92/59/447089259.db2.gz KKBLBMVESCGIOE-INIZCTEOSA-N 2 1 325.497 1.556 20 0 EDADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419386984 447143642 /nfs/dbraw/zinc/14/36/42/447143642.db2.gz AFJIDYWFHQMHMF-KBPBESRZSA-N 2 1 340.512 1.392 20 0 EDADMP CC1(C)CCC[N@H+](CCNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000444891519 447146339 /nfs/dbraw/zinc/14/63/39/447146339.db2.gz WMNOBUOWFGZULZ-UHFFFAOYSA-N 2 1 326.485 1.130 20 0 EDADMP CC1(C)CCC[N@@H+](CCNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000444891519 447146345 /nfs/dbraw/zinc/14/63/45/447146345.db2.gz WMNOBUOWFGZULZ-UHFFFAOYSA-N 2 1 326.485 1.130 20 0 EDADMP CC[C@@H](C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC000413303402 447126895 /nfs/dbraw/zinc/12/68/95/447126895.db2.gz QCBPPDSNPREPFL-WBVHZDCISA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375895431 447128788 /nfs/dbraw/zinc/12/87/88/447128788.db2.gz MLPFEJQVKFNFIK-KZNAEPCWSA-N 2 1 331.460 1.774 20 0 EDADMP Cc1ccc([C@@H]2CSCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)o1 ZINC000375955955 447173564 /nfs/dbraw/zinc/17/35/64/447173564.db2.gz UNWWTDPWWNVJRC-HNNXBMFYSA-N 2 1 337.489 1.842 20 0 EDADMP Cc1ccc([C@@H]2CSCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)o1 ZINC000375955955 447173567 /nfs/dbraw/zinc/17/35/67/447173567.db2.gz UNWWTDPWWNVJRC-HNNXBMFYSA-N 2 1 337.489 1.842 20 0 EDADMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNc1cc(C)[nH+]c(C)n1 ZINC000372595412 447171081 /nfs/dbraw/zinc/17/10/81/447171081.db2.gz YVDRLBPDQCGSRB-UHFFFAOYSA-N 2 1 343.479 1.889 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNc1cc(C)[nH+]c(C)n1 ZINC000372595412 447171087 /nfs/dbraw/zinc/17/10/87/447171087.db2.gz YVDRLBPDQCGSRB-UHFFFAOYSA-N 2 1 343.479 1.889 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000368986744 447248081 /nfs/dbraw/zinc/24/80/81/447248081.db2.gz LCADBMTUBFGWBS-ULQDDVLXSA-N 2 1 338.496 1.271 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000377621945 447251031 /nfs/dbraw/zinc/25/10/31/447251031.db2.gz HKSIRPRLUSHZLF-INIZCTEOSA-N 2 1 331.460 1.875 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000377572475 447214595 /nfs/dbraw/zinc/21/45/95/447214595.db2.gz QUTJBSFLIHWXQI-QGZVFWFLSA-N 2 1 347.459 1.310 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)C1 ZINC000372712459 447238995 /nfs/dbraw/zinc/23/89/95/447238995.db2.gz GCDZCBWNHWGTGK-IBGZPJMESA-N 2 1 343.471 1.892 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)C1 ZINC000372712459 447239003 /nfs/dbraw/zinc/23/90/03/447239003.db2.gz GCDZCBWNHWGTGK-IBGZPJMESA-N 2 1 343.471 1.892 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419584477 447281205 /nfs/dbraw/zinc/28/12/05/447281205.db2.gz KVCIZWJSMHKVCT-WMLDXEAASA-N 2 1 346.475 1.313 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000426497468 447458990 /nfs/dbraw/zinc/45/89/90/447458990.db2.gz LECJJTRISHPLMD-INIZCTEOSA-N 2 1 347.507 1.684 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)C[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000450352107 447464911 /nfs/dbraw/zinc/46/49/11/447464911.db2.gz XERUHKMMTAMEEH-UHFFFAOYSA-N 2 1 344.503 1.358 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000458781129 447476838 /nfs/dbraw/zinc/47/68/38/447476838.db2.gz GCVWXTNWHSGQPY-OAGGEKHMSA-N 2 1 328.501 1.203 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000458781129 447476843 /nfs/dbraw/zinc/47/68/43/447476843.db2.gz GCVWXTNWHSGQPY-OAGGEKHMSA-N 2 1 328.501 1.203 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000458781129 447476848 /nfs/dbraw/zinc/47/68/48/447476848.db2.gz GCVWXTNWHSGQPY-OAGGEKHMSA-N 2 1 328.501 1.203 20 0 EDADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426675112 447490091 /nfs/dbraw/zinc/49/00/91/447490091.db2.gz PHHIWOBBENUWNG-SFHVURJKSA-N 2 1 337.508 1.963 20 0 EDADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000450561119 447526808 /nfs/dbraw/zinc/52/68/08/447526808.db2.gz GSQYHPAETUOHMF-QGZVFWFLSA-N 2 1 349.475 1.164 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419978310 447527186 /nfs/dbraw/zinc/52/71/86/447527186.db2.gz NZWNODHZOPGHJE-MRXNPFEDSA-N 2 1 349.479 1.064 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419978306 447527252 /nfs/dbraw/zinc/52/72/52/447527252.db2.gz NZWNODHZOPGHJE-INIZCTEOSA-N 2 1 349.479 1.064 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000390942802 447506193 /nfs/dbraw/zinc/50/61/93/447506193.db2.gz QZMHMQRYWUEERZ-MSOLQXFVSA-N 2 1 331.460 1.536 20 0 EDADMP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000450786364 447576154 /nfs/dbraw/zinc/57/61/54/447576154.db2.gz PTAUXFVIZIVMPS-CVEARBPZSA-N 2 1 337.464 1.341 20 0 EDADMP COCCOC[C@@H](O)C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000450786364 447576160 /nfs/dbraw/zinc/57/61/60/447576160.db2.gz PTAUXFVIZIVMPS-CVEARBPZSA-N 2 1 337.464 1.341 20 0 EDADMP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000404403923 447600092 /nfs/dbraw/zinc/60/00/92/447600092.db2.gz XULMHGMIXZGZGD-KZNAEPCWSA-N 2 1 344.503 1.402 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427505955 447610982 /nfs/dbraw/zinc/61/09/82/447610982.db2.gz LKQDSASMTLMEEM-INIZCTEOSA-N 2 1 339.524 1.802 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(c2nc(N[C@@H]3CCCO[C@H]3C(C)C)cc[nH+]2)C1 ZINC000420117841 447612829 /nfs/dbraw/zinc/61/28/29/447612829.db2.gz HWLYHNPNZUIQNC-JZXOWHBKSA-N 2 1 347.507 2.528 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407384964 447614540 /nfs/dbraw/zinc/61/45/40/447614540.db2.gz YRKZYCARMNEXMY-RBUKOAKNSA-N 2 1 343.471 1.666 20 0 EDADMP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000420122913 447616350 /nfs/dbraw/zinc/61/63/50/447616350.db2.gz LGKWIQDSHKWHSP-XYPHTWIQSA-N 2 1 344.459 1.018 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000457997489 447692683 /nfs/dbraw/zinc/69/26/83/447692683.db2.gz ZJFZVUVCRVDROE-INIZCTEOSA-N 2 1 326.485 1.221 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422632162 447678587 /nfs/dbraw/zinc/67/85/87/447678587.db2.gz GIZDRBCCIWASDR-VYDXJSESSA-N 2 1 333.476 1.659 20 0 EDADMP COc1ccccc1CCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422632162 447678596 /nfs/dbraw/zinc/67/85/96/447678596.db2.gz GIZDRBCCIWASDR-VYDXJSESSA-N 2 1 333.476 1.659 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C[C@@H]1C[NH3+] ZINC000422632320 447679639 /nfs/dbraw/zinc/67/96/39/447679639.db2.gz GQDAQFOIAOVEDL-NFAWXSAZSA-N 2 1 333.432 1.337 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C[C@@H]1C[NH3+] ZINC000422632320 447679645 /nfs/dbraw/zinc/67/96/45/447679645.db2.gz GQDAQFOIAOVEDL-NFAWXSAZSA-N 2 1 333.432 1.337 20 0 EDADMP COc1ccccc1CN(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422632979 447680715 /nfs/dbraw/zinc/68/07/15/447680715.db2.gz HORKEKBJUIFKAU-VYDXJSESSA-N 2 1 333.476 1.959 20 0 EDADMP COc1ccccc1CN(C)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422632979 447680720 /nfs/dbraw/zinc/68/07/20/447680720.db2.gz HORKEKBJUIFKAU-VYDXJSESSA-N 2 1 333.476 1.959 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC(=O)NCc2cccs2)C[C@@H]1C[NH3+] ZINC000422639217 447683620 /nfs/dbraw/zinc/68/36/20/447683620.db2.gz SJYPWISXWOQDLY-AGIUHOORSA-N 2 1 338.477 1.379 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC(=O)NCc2cccs2)C[C@@H]1C[NH3+] ZINC000422639217 447683627 /nfs/dbraw/zinc/68/36/27/447683627.db2.gz SJYPWISXWOQDLY-AGIUHOORSA-N 2 1 338.477 1.379 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1CCC(C)CC1 ZINC000458053527 447710230 /nfs/dbraw/zinc/71/02/30/447710230.db2.gz SKWPIPIURSKFCZ-IAGOWNOFSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000416929081 447712288 /nfs/dbraw/zinc/71/22/88/447712288.db2.gz ZSOLCXCMSCVQES-INMHGKMJSA-N 2 1 348.491 1.873 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000416940689 447717458 /nfs/dbraw/zinc/71/74/58/447717458.db2.gz PIPGZNJODOMCDB-HOTGVXAUSA-N 2 1 326.485 1.032 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000416943646 447719661 /nfs/dbraw/zinc/71/96/61/447719661.db2.gz MACCFXXXSWNIHM-UXLLHSPISA-N 2 1 334.464 1.485 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000416947478 447722442 /nfs/dbraw/zinc/72/24/42/447722442.db2.gz GWAHVWRQGMZIOH-IAGOWNOFSA-N 2 1 339.528 1.090 20 0 EDADMP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000422720268 447728028 /nfs/dbraw/zinc/72/80/28/447728028.db2.gz ZAUIBGUZLJBCKZ-LJQANCHMSA-N 3 1 334.508 1.278 20 0 EDADMP CCC[NH2+]CCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000417266532 447739647 /nfs/dbraw/zinc/73/96/47/447739647.db2.gz FDVFRQWXSZEEJN-INIZCTEOSA-N 2 1 348.491 1.706 20 0 EDADMP CCC[NH2+]CCNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000417266532 447739652 /nfs/dbraw/zinc/73/96/52/447739652.db2.gz FDVFRQWXSZEEJN-INIZCTEOSA-N 2 1 348.491 1.706 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)C1 ZINC000458186966 447740379 /nfs/dbraw/zinc/74/03/79/447740379.db2.gz ASDLFPJJMZRFBP-KRWDZBQOSA-N 2 1 335.448 1.595 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)C1 ZINC000458186966 447740384 /nfs/dbraw/zinc/74/03/84/447740384.db2.gz ASDLFPJJMZRFBP-KRWDZBQOSA-N 2 1 335.448 1.595 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C(C)C)CC1 ZINC000429374514 447745908 /nfs/dbraw/zinc/74/59/08/447745908.db2.gz DCBDVDCDCUVXPO-JYJNAYRXSA-N 2 1 339.480 1.059 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C(C)C)CC1 ZINC000429374514 447745910 /nfs/dbraw/zinc/74/59/10/447745910.db2.gz DCBDVDCDCUVXPO-JYJNAYRXSA-N 2 1 339.480 1.059 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459715214 447749967 /nfs/dbraw/zinc/74/99/67/447749967.db2.gz PAIBXXXOIIZIGK-SZMVWBNQSA-N 2 1 329.448 1.139 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000458241119 447752363 /nfs/dbraw/zinc/75/23/63/447752363.db2.gz PMWYDWCGMJSRLC-QGZVFWFLSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1c[nH+]ccc1N ZINC000422823946 447760612 /nfs/dbraw/zinc/76/06/12/447760612.db2.gz FNRZPXFOJUKQIJ-HNNXBMFYSA-N 2 1 341.463 1.147 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])c2)C1 ZINC000422886883 447770228 /nfs/dbraw/zinc/77/02/28/447770228.db2.gz JWEJQTLNVCLWOL-OTWHNJEPSA-N 3 1 344.503 1.601 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422875021 447770779 /nfs/dbraw/zinc/77/07/79/447770779.db2.gz BHLOAUGWCIDKTM-SQNIBIBYSA-N 2 1 330.476 1.664 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN(C)CC(C)(C)C[NH3+])CC2)c1 ZINC000430548027 447775818 /nfs/dbraw/zinc/77/58/18/447775818.db2.gz VTTNCJGWJKPZSP-UHFFFAOYSA-N 2 1 346.519 1.556 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000430550157 447776169 /nfs/dbraw/zinc/77/61/69/447776169.db2.gz JQLSHTCLNDTCKU-QILLFSRXSA-N 2 1 349.450 1.785 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000430550157 447776170 /nfs/dbraw/zinc/77/61/70/447776170.db2.gz JQLSHTCLNDTCKU-QILLFSRXSA-N 2 1 349.450 1.785 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422937832 447776928 /nfs/dbraw/zinc/77/69/28/447776928.db2.gz PAHAWXCXNGBPSE-HZPDHXFCSA-N 2 1 325.478 1.523 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000430565286 447780949 /nfs/dbraw/zinc/78/09/49/447780949.db2.gz FEZSTFZUGGRZFR-MJGOQNOKSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000430565286 447780952 /nfs/dbraw/zinc/78/09/52/447780952.db2.gz FEZSTFZUGGRZFR-MJGOQNOKSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430565286 447780954 /nfs/dbraw/zinc/78/09/54/447780954.db2.gz FEZSTFZUGGRZFR-MJGOQNOKSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000430593926 447782181 /nfs/dbraw/zinc/78/21/81/447782181.db2.gz UIOBHOMENZWAHP-OKZBNKHCSA-N 2 1 344.503 1.783 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000430593926 447782184 /nfs/dbraw/zinc/78/21/84/447782184.db2.gz UIOBHOMENZWAHP-OKZBNKHCSA-N 2 1 344.503 1.783 20 0 EDADMP C[NH2+]CC1CC[NH+](CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000430971754 447788637 /nfs/dbraw/zinc/78/86/37/447788637.db2.gz PHQYUPSJSPMTBF-UHFFFAOYSA-N 2 1 326.462 1.400 20 0 EDADMP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000423031874 447794680 /nfs/dbraw/zinc/79/46/80/447794680.db2.gz LMWIFTYUAPHJOQ-LSTHTHJFSA-N 2 1 347.503 1.500 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](CC)C1 ZINC000462723936 447799637 /nfs/dbraw/zinc/79/96/37/447799637.db2.gz VOJOMSBQLZNXIJ-IKGGRYGDSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000462723936 447799639 /nfs/dbraw/zinc/79/96/39/447799639.db2.gz VOJOMSBQLZNXIJ-IKGGRYGDSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000462723936 447799644 /nfs/dbraw/zinc/79/96/44/447799644.db2.gz VOJOMSBQLZNXIJ-IKGGRYGDSA-N 2 1 342.528 1.593 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000487638524 447835181 /nfs/dbraw/zinc/83/51/81/447835181.db2.gz SDUXKCJPCCEESE-BPQIPLTHSA-N 2 1 347.528 1.918 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000487638524 447835182 /nfs/dbraw/zinc/83/51/82/447835182.db2.gz SDUXKCJPCCEESE-BPQIPLTHSA-N 2 1 347.528 1.918 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000487638524 447835183 /nfs/dbraw/zinc/83/51/83/447835183.db2.gz SDUXKCJPCCEESE-BPQIPLTHSA-N 2 1 347.528 1.918 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000487638524 447835184 /nfs/dbraw/zinc/83/51/84/447835184.db2.gz SDUXKCJPCCEESE-BPQIPLTHSA-N 2 1 347.528 1.918 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)C1CC1 ZINC000496671623 447845142 /nfs/dbraw/zinc/84/51/42/447845142.db2.gz IGHHHGMHZJSKDD-CQSZACIVSA-N 2 1 327.469 1.479 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)C1CC1 ZINC000496671623 447845143 /nfs/dbraw/zinc/84/51/43/447845143.db2.gz IGHHHGMHZJSKDD-CQSZACIVSA-N 2 1 327.469 1.479 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000488567418 447848828 /nfs/dbraw/zinc/84/88/28/447848828.db2.gz WKXDDWVFCDJNFO-LBTNJELSSA-N 2 1 339.480 1.106 20 0 EDADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497134035 447880726 /nfs/dbraw/zinc/88/07/26/447880726.db2.gz RLDLEZVFKLOUIB-PBHICJAKSA-N 2 1 329.485 1.584 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cccnc1 ZINC000523484314 447888964 /nfs/dbraw/zinc/88/89/64/447888964.db2.gz AUBTWUVVOFORKA-SFHVURJKSA-N 2 1 332.492 1.889 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C2(C)C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000569924226 447919624 /nfs/dbraw/zinc/91/96/24/447919624.db2.gz TZZGZEYVACPHKC-QGZVFWFLSA-N 2 1 330.476 1.091 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C2(C)C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000569924226 447919627 /nfs/dbraw/zinc/91/96/27/447919627.db2.gz TZZGZEYVACPHKC-QGZVFWFLSA-N 2 1 330.476 1.091 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C2(C)C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000569924226 447919629 /nfs/dbraw/zinc/91/96/29/447919629.db2.gz TZZGZEYVACPHKC-QGZVFWFLSA-N 2 1 330.476 1.091 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000524379834 447927864 /nfs/dbraw/zinc/92/78/64/447927864.db2.gz KFZYWWYDWGDNDR-LJQANCHMSA-N 2 1 342.443 1.335 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000524379834 447927867 /nfs/dbraw/zinc/92/78/67/447927867.db2.gz KFZYWWYDWGDNDR-LJQANCHMSA-N 2 1 342.443 1.335 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000576357931 448036421 /nfs/dbraw/zinc/03/64/21/448036421.db2.gz VAIXYMFMQQQHAI-UHFFFAOYSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc(C)c1OC(F)F ZINC000570866180 448077871 /nfs/dbraw/zinc/07/78/71/448077871.db2.gz KKEJFPUKYQZKQM-ZIAGYGMSSA-N 2 1 339.386 1.649 20 0 EDADMP Cc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc(C)c1OC(F)F ZINC000570866180 448077875 /nfs/dbraw/zinc/07/78/75/448077875.db2.gz KKEJFPUKYQZKQM-ZIAGYGMSSA-N 2 1 339.386 1.649 20 0 EDADMP C[NH+](Cc1cncc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1)[C@@H]1CCC[C@H]1O ZINC000570914868 448084247 /nfs/dbraw/zinc/08/42/47/448084247.db2.gz ZMPQSDWREQWRJP-NCXUSEDFSA-N 2 1 333.476 1.772 20 0 EDADMP COC[C@]1(CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CCC[NH2+]1 ZINC000576848978 448155054 /nfs/dbraw/zinc/15/50/54/448155054.db2.gz LYSSETRJWIBAFH-GOSISDBHSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000531964783 448176936 /nfs/dbraw/zinc/17/69/36/448176936.db2.gz IXMMEMKPGHVTLV-QXMSGVSCSA-N 2 1 344.459 1.560 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](C[NH3+])C2)[C@@H](C)C1 ZINC000577047282 448199415 /nfs/dbraw/zinc/19/94/15/448199415.db2.gz QNHRULFQXIPRBP-BBWFWOEESA-N 2 1 340.512 1.504 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H](N)c1cscn1 ZINC000582414555 448230493 /nfs/dbraw/zinc/23/04/93/448230493.db2.gz DSZMCHAGBIOZFB-XPKDYRNWSA-N 2 1 330.457 1.780 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000577347235 448270048 /nfs/dbraw/zinc/27/00/48/448270048.db2.gz IOYSQUCCZBCTBE-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@H+](CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(C)C ZINC000532428047 448259199 /nfs/dbraw/zinc/25/91/99/448259199.db2.gz HQWRMZVTFCJNGR-IAGOWNOFSA-N 2 1 340.512 1.659 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(C)C ZINC000532428047 448259204 /nfs/dbraw/zinc/25/92/04/448259204.db2.gz HQWRMZVTFCJNGR-IAGOWNOFSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC[N@H+]1C ZINC000532494168 448264642 /nfs/dbraw/zinc/26/46/42/448264642.db2.gz VQHRBKYQSCYKNI-DWQUBVKVSA-N 2 1 330.432 1.314 20 0 EDADMP [NH3+][C@H](CCC(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000515402728 448308282 /nfs/dbraw/zinc/30/82/82/448308282.db2.gz SUEROXDSLZGUFN-CTWPCTMYSA-N 2 1 344.503 1.799 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000572116161 448291169 /nfs/dbraw/zinc/29/11/69/448291169.db2.gz MWMSDJMVGCTPBR-WMZOPIPTSA-N 2 1 331.460 1.346 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000533194196 448371548 /nfs/dbraw/zinc/37/15/48/448371548.db2.gz PYNNGCSNHFVKDK-SJORKVTESA-N 2 1 338.496 1.367 20 0 EDADMP CC[N@H+]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000533194196 448371553 /nfs/dbraw/zinc/37/15/53/448371553.db2.gz PYNNGCSNHFVKDK-SJORKVTESA-N 2 1 338.496 1.367 20 0 EDADMP CCCc1cc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)n[nH]1 ZINC000565430609 448367806 /nfs/dbraw/zinc/36/78/06/448367806.db2.gz DXNTYHGMIMWNAB-UHFFFAOYSA-N 2 1 347.507 2.497 20 0 EDADMP C[C@H](NC(=O)N1CCO[C@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582895018 448370377 /nfs/dbraw/zinc/37/03/77/448370377.db2.gz XTKDCJYTPJTTDY-RYQLBKOJSA-N 2 1 346.475 1.266 20 0 EDADMP C[C@H]1C[C@H](C)[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000533294773 448383996 /nfs/dbraw/zinc/38/39/96/448383996.db2.gz DTEPHQUNCKVGKM-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1C[C@H](C)[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000533294773 448383998 /nfs/dbraw/zinc/38/39/98/448383998.db2.gz DTEPHQUNCKVGKM-IRXDYDNUSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH2+]CCCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000582954042 448386955 /nfs/dbraw/zinc/38/69/55/448386955.db2.gz QOJZUJHRVSYPEJ-MRXNPFEDSA-N 2 1 348.491 1.706 20 0 EDADMP CC[NH2+]CCCNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000582954042 448386961 /nfs/dbraw/zinc/38/69/61/448386961.db2.gz QOJZUJHRVSYPEJ-MRXNPFEDSA-N 2 1 348.491 1.706 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000591571118 448393387 /nfs/dbraw/zinc/39/33/87/448393387.db2.gz CDMLWLIRDJOMGX-CQSZACIVSA-N 2 1 333.436 1.016 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)[NH+]1CCOCC1 ZINC000577865297 448407421 /nfs/dbraw/zinc/40/74/21/448407421.db2.gz SUMQPRPIKAPHKD-QZTJIDSGSA-N 2 1 331.460 1.346 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1[NH+]1CCCC1 ZINC000583088804 448422392 /nfs/dbraw/zinc/42/23/92/448422392.db2.gz WZXVIFXDWIUATA-HYVNUMGLSA-N 2 1 348.516 1.792 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC[N@H+]1CCOC ZINC000572769388 448461199 /nfs/dbraw/zinc/46/11/99/448461199.db2.gz YWMNULXSRMPFNE-JFIYKMOQSA-N 2 1 325.497 1.853 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000516751357 448466884 /nfs/dbraw/zinc/46/68/84/448466884.db2.gz NMNVLLDAEQJSBS-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000566512836 448497500 /nfs/dbraw/zinc/49/75/00/448497500.db2.gz KLKQFRZSTGXICG-CIRFHOKZSA-N 2 1 330.476 1.804 20 0 EDADMP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000584412135 448518021 /nfs/dbraw/zinc/51/80/21/448518021.db2.gz WBNCZLDRIJDNNU-IYBDPMFKSA-N 2 1 344.459 1.258 20 0 EDADMP CC[N@@H+]1C[C@@H](C)N(C(=O)CN2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000578337321 448522436 /nfs/dbraw/zinc/52/24/36/448522436.db2.gz CLQPHAHSSFSFNT-CALCHBBNSA-N 2 1 345.491 1.145 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)n1ccnc1 ZINC000578513014 448565593 /nfs/dbraw/zinc/56/55/93/448565593.db2.gz IBNNHRITDYSFAU-DLBZAZTESA-N 3 1 335.496 1.709 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CCCCn1cc(Br)cn1)C1CC1 ZINC000578436310 448544897 /nfs/dbraw/zinc/54/48/97/448544897.db2.gz LIMPJOXVVKLAOI-CQSZACIVSA-N 2 1 345.285 1.471 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CCCCn1cc(Br)cn1)C1CC1 ZINC000578436310 448544904 /nfs/dbraw/zinc/54/49/04/448544904.db2.gz LIMPJOXVVKLAOI-CQSZACIVSA-N 2 1 345.285 1.471 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000578648909 448604640 /nfs/dbraw/zinc/60/46/40/448604640.db2.gz SEZXOUFZCYWMHP-DAYGRLMNSA-N 2 1 331.460 1.441 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000578648909 448604645 /nfs/dbraw/zinc/60/46/45/448604645.db2.gz SEZXOUFZCYWMHP-DAYGRLMNSA-N 2 1 331.460 1.441 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)COCc1ccccc1F ZINC000578652034 448604991 /nfs/dbraw/zinc/60/49/91/448604991.db2.gz VSUSNBGSMODNGQ-DLBZAZTESA-N 2 1 340.439 1.140 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCn3ccnc3)CC2)CC1 ZINC000584730526 448613416 /nfs/dbraw/zinc/61/34/16/448613416.db2.gz RETDZZBNFRXCTH-UHFFFAOYSA-N 2 1 333.480 1.196 20 0 EDADMP CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000539783343 448619855 /nfs/dbraw/zinc/61/98/55/448619855.db2.gz UCXGMPYMFWFPNC-CYBMUJFWSA-N 2 1 344.463 1.448 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000539783343 448619858 /nfs/dbraw/zinc/61/98/58/448619858.db2.gz UCXGMPYMFWFPNC-CYBMUJFWSA-N 2 1 344.463 1.448 20 0 EDADMP COc1ncc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000517553766 448591386 /nfs/dbraw/zinc/59/13/86/448591386.db2.gz UVQWMVYVKCXWDS-BPLDGKMQSA-N 2 1 325.840 1.990 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000573340119 448604040 /nfs/dbraw/zinc/60/40/40/448604040.db2.gz JHVBXWBHTUIRLK-IBGZPJMESA-N 2 1 342.487 1.865 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000578878597 448661263 /nfs/dbraw/zinc/66/12/63/448661263.db2.gz CMXZXKSMFYMGHT-ZGXWSNOMSA-N 2 1 348.487 1.430 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000578878597 448661265 /nfs/dbraw/zinc/66/12/65/448661265.db2.gz CMXZXKSMFYMGHT-ZGXWSNOMSA-N 2 1 348.487 1.430 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000578878597 448661269 /nfs/dbraw/zinc/66/12/69/448661269.db2.gz CMXZXKSMFYMGHT-ZGXWSNOMSA-N 2 1 348.487 1.430 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000578878597 448661272 /nfs/dbraw/zinc/66/12/72/448661272.db2.gz CMXZXKSMFYMGHT-ZGXWSNOMSA-N 2 1 348.487 1.430 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000584778766 448629034 /nfs/dbraw/zinc/62/90/34/448629034.db2.gz XZOBBFKKSVSQSG-ZQIUZPCESA-N 2 1 334.464 1.178 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn2cc[nH+]c12 ZINC000573461091 448635333 /nfs/dbraw/zinc/63/53/33/448635333.db2.gz OXQGWEPVTKWZPG-NWANDNLSSA-N 2 1 341.415 1.167 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000573463697 448635482 /nfs/dbraw/zinc/63/54/82/448635482.db2.gz SGZYHAYPDVMSLY-FUHWJXTLSA-N 2 1 338.496 1.128 20 0 EDADMP C[NH+](C)[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)c1cccs1 ZINC000541850755 448697431 /nfs/dbraw/zinc/69/74/31/448697431.db2.gz TXEJJQYLVZQLJC-CYBMUJFWSA-N 2 1 333.461 2.090 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H]([C@@H](C)O)C3)CC2)CC1 ZINC000518741536 448703832 /nfs/dbraw/zinc/70/38/32/448703832.db2.gz ARUYGYBDEBEZIL-WBVHZDCISA-N 2 1 337.508 1.412 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000567571526 448715584 /nfs/dbraw/zinc/71/55/84/448715584.db2.gz LPYZUNMUMCIGJG-RDTXWAMCSA-N 2 1 328.460 1.657 20 0 EDADMP C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000567889342 448779010 /nfs/dbraw/zinc/77/90/10/448779010.db2.gz OCRLPQKMLNKXKE-UONOGXRCSA-N 2 1 341.463 1.741 20 0 EDADMP C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000567889342 448779015 /nfs/dbraw/zinc/77/90/15/448779015.db2.gz OCRLPQKMLNKXKE-UONOGXRCSA-N 2 1 341.463 1.741 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CCn3cccn3)CC2)CC1 ZINC000574051139 448781318 /nfs/dbraw/zinc/78/13/18/448781318.db2.gz GCUGBPIZVORHHY-UHFFFAOYSA-N 2 1 347.507 1.538 20 0 EDADMP C[C@H](C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000574052570 448781333 /nfs/dbraw/zinc/78/13/33/448781333.db2.gz AXAYNVGZAUAHLA-QGZVFWFLSA-N 2 1 345.487 1.470 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000579443048 448793098 /nfs/dbraw/zinc/79/30/98/448793098.db2.gz KRXSQZJNUQIQIA-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c2ccccc12 ZINC000519703266 448824182 /nfs/dbraw/zinc/82/41/82/448824182.db2.gz FCSOCRUEZDFXDC-RHSMWYFYSA-N 2 1 325.412 1.592 20 0 EDADMP CCN(C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000529376007 448847587 /nfs/dbraw/zinc/84/75/87/448847587.db2.gz JNZWMPOVPFXIDI-ROUUACIJSA-N 2 1 346.475 1.281 20 0 EDADMP COc1ccc(COC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000519816261 448850068 /nfs/dbraw/zinc/85/00/68/448850068.db2.gz CPVLRWCMSBHPEI-AEFFLSMTSA-N 2 1 334.460 1.647 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@H](O)CC(C)(C)C)CC1 ZINC000574344262 448850901 /nfs/dbraw/zinc/85/09/01/448850901.db2.gz CCGBJRGJUJGLKF-AWEZNQCLSA-N 2 1 334.464 1.959 20 0 EDADMP COc1cc2c(cc1C[N@@H+](C)CCCN(C)CC[NH+](C)C)OCO2 ZINC000574677861 448930930 /nfs/dbraw/zinc/93/09/30/448930930.db2.gz LSHKTLXJUUFXAA-UHFFFAOYSA-N 2 1 337.464 1.739 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000568547633 448887608 /nfs/dbraw/zinc/88/76/08/448887608.db2.gz XELBLVGPMUCOMB-VQTJNVASSA-N 2 1 343.471 1.178 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000568547633 448887614 /nfs/dbraw/zinc/88/76/14/448887614.db2.gz XELBLVGPMUCOMB-VQTJNVASSA-N 2 1 343.471 1.178 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000568547633 448887621 /nfs/dbraw/zinc/88/76/21/448887621.db2.gz XELBLVGPMUCOMB-VQTJNVASSA-N 2 1 343.471 1.178 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnc3[nH]ccc3c2)CC1 ZINC000574719164 448939749 /nfs/dbraw/zinc/93/97/49/448939749.db2.gz WFDHKICPVOZLBS-UHFFFAOYSA-N 2 1 336.399 1.914 20 0 EDADMP C[C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000569333313 449003499 /nfs/dbraw/zinc/00/34/99/449003499.db2.gz JADMLAUWBOFNBF-CRAIPNDOSA-N 2 1 346.475 1.192 20 0 EDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000582127570 449019184 /nfs/dbraw/zinc/01/91/84/449019184.db2.gz ZOHBTKXIYFJVTD-QFBILLFUSA-N 2 1 348.491 1.799 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NCC1CC[NH2+]CC1 ZINC000575051323 449022553 /nfs/dbraw/zinc/02/25/53/449022553.db2.gz ZPDVVSHBERVJFZ-UHFFFAOYSA-N 2 1 330.476 1.734 20 0 EDADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000575073323 449030995 /nfs/dbraw/zinc/03/09/95/449030995.db2.gz ZGERHLGAAJBOAL-FUHWJXTLSA-N 2 1 339.443 1.233 20 0 EDADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000575073323 449031001 /nfs/dbraw/zinc/03/10/01/449031001.db2.gz ZGERHLGAAJBOAL-FUHWJXTLSA-N 2 1 339.443 1.233 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC000592885249 449036554 /nfs/dbraw/zinc/03/65/54/449036554.db2.gz NPENOETYOBUWGS-GOSISDBHSA-N 2 1 346.475 1.084 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC000592885249 449036557 /nfs/dbraw/zinc/03/65/57/449036557.db2.gz NPENOETYOBUWGS-GOSISDBHSA-N 2 1 346.475 1.084 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000522138132 449055093 /nfs/dbraw/zinc/05/50/93/449055093.db2.gz CEGBFXRUHOVGDP-INIZCTEOSA-N 2 1 344.459 1.402 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592960423 449084763 /nfs/dbraw/zinc/08/47/63/449084763.db2.gz ZXENJIWQGWQMKC-LSDHHAIUSA-N 2 1 333.480 1.714 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592960212 449084948 /nfs/dbraw/zinc/08/49/48/449084948.db2.gz UMMAZSBGMKKXSA-CABCVRRESA-N 2 1 333.480 1.427 20 0 EDADMP COC(=O)c1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)o1 ZINC000597942249 449152186 /nfs/dbraw/zinc/15/21/86/449152186.db2.gz JHISODOCYNXEAU-LBPRGKRZSA-N 2 1 339.436 1.376 20 0 EDADMP COC(=O)c1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)o1 ZINC000597942249 449152189 /nfs/dbraw/zinc/15/21/89/449152189.db2.gz JHISODOCYNXEAU-LBPRGKRZSA-N 2 1 339.436 1.376 20 0 EDADMP CC[C@@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C(=O)OC ZINC000595909685 449247286 /nfs/dbraw/zinc/24/72/86/449247286.db2.gz MQNCFNDTNRIAFE-ANQUJSFKSA-N 2 1 341.496 1.530 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000590860010 449323940 /nfs/dbraw/zinc/32/39/40/449323940.db2.gz YLWWUMAAYUHWFO-RBUKOAKNSA-N 2 1 344.503 1.944 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000590860010 449323947 /nfs/dbraw/zinc/32/39/47/449323947.db2.gz YLWWUMAAYUHWFO-RBUKOAKNSA-N 2 1 344.503 1.944 20 0 EDADMP C[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000590860010 449323954 /nfs/dbraw/zinc/32/39/54/449323954.db2.gz YLWWUMAAYUHWFO-RBUKOAKNSA-N 2 1 344.503 1.944 20 0 EDADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000605425579 449380772 /nfs/dbraw/zinc/38/07/72/449380772.db2.gz CWJUONYRLXETEL-YLJYHZDGSA-N 2 1 343.471 1.224 20 0 EDADMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000605425579 449380775 /nfs/dbraw/zinc/38/07/75/449380775.db2.gz CWJUONYRLXETEL-YLJYHZDGSA-N 2 1 343.471 1.224 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000605425579 449380781 /nfs/dbraw/zinc/38/07/81/449380781.db2.gz CWJUONYRLXETEL-YLJYHZDGSA-N 2 1 343.471 1.224 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)C(C)(C)CO)CC2)cc1 ZINC000605574770 449397961 /nfs/dbraw/zinc/39/79/61/449397961.db2.gz LHMGFYDZQMZWCP-UHFFFAOYSA-N 2 1 347.503 1.732 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)C(C)(C)CO)CC2)cc1 ZINC000605574770 449397962 /nfs/dbraw/zinc/39/79/62/449397962.db2.gz LHMGFYDZQMZWCP-UHFFFAOYSA-N 2 1 347.503 1.732 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C(C)(C)CO)CC2)cc1 ZINC000605574770 449397966 /nfs/dbraw/zinc/39/79/66/449397966.db2.gz LHMGFYDZQMZWCP-UHFFFAOYSA-N 2 1 347.503 1.732 20 0 EDADMP CSC1(CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)CC[NH+](C)CC1 ZINC000602152604 449387552 /nfs/dbraw/zinc/38/75/52/449387552.db2.gz PRHFBSFVWMDKJR-OAHLLOKOSA-N 2 1 325.522 1.947 20 0 EDADMP COC(=O)c1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)n2c1CCCC2 ZINC000598631591 449508455 /nfs/dbraw/zinc/50/84/55/449508455.db2.gz XIVYHDHZRPOZPY-UHFFFAOYSA-N 2 1 349.475 1.547 20 0 EDADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCC2 ZINC000594502065 449558748 /nfs/dbraw/zinc/55/87/48/449558748.db2.gz CKVCUCBAYDWBSV-AEFFLSMTSA-N 2 1 332.444 1.897 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CO[C@H]1CCCC[C@H]1C ZINC000617505883 449653191 /nfs/dbraw/zinc/65/31/91/449653191.db2.gz UFGQBIIUOTZIRO-IKGGRYGDSA-N 2 1 327.513 1.970 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CO[C@H]1CCCC[C@H]1C ZINC000617505883 449653193 /nfs/dbraw/zinc/65/31/93/449653193.db2.gz UFGQBIIUOTZIRO-IKGGRYGDSA-N 2 1 327.513 1.970 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1cc2ccccc2n1 ZINC000617505497 449653342 /nfs/dbraw/zinc/65/33/42/449653342.db2.gz FIPMFWIAJNLPTA-HNNXBMFYSA-N 2 1 331.464 1.425 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1cc2ccccc2n1 ZINC000617505497 449653347 /nfs/dbraw/zinc/65/33/47/449653347.db2.gz FIPMFWIAJNLPTA-HNNXBMFYSA-N 2 1 331.464 1.425 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)Sc1ccccn1 ZINC000617505585 449653516 /nfs/dbraw/zinc/65/35/16/449653516.db2.gz IWKAOCMGTPQFQC-GJZGRUSLSA-N 2 1 338.521 1.950 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)Sc1ccccn1 ZINC000617505585 449653520 /nfs/dbraw/zinc/65/35/20/449653520.db2.gz IWKAOCMGTPQFQC-GJZGRUSLSA-N 2 1 338.521 1.950 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCc1cccc2c1OCO2 ZINC000617507263 449656454 /nfs/dbraw/zinc/65/64/54/449656454.db2.gz OTVLBPABKVKPMW-HNNXBMFYSA-N 2 1 349.475 1.736 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCc1cccc2c1OCO2 ZINC000617507263 449656458 /nfs/dbraw/zinc/65/64/58/449656458.db2.gz OTVLBPABKVKPMW-HNNXBMFYSA-N 2 1 349.475 1.736 20 0 EDADMP CCn1nc(C)c(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C ZINC000617508084 449657859 /nfs/dbraw/zinc/65/78/59/449657859.db2.gz UIVAADVIKGQURD-AWEZNQCLSA-N 2 1 337.512 1.451 20 0 EDADMP CCn1nc(C)c(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C ZINC000617508084 449657865 /nfs/dbraw/zinc/65/78/65/449657865.db2.gz UIVAADVIKGQURD-AWEZNQCLSA-N 2 1 337.512 1.451 20 0 EDADMP Cc1nn(C)c2ncc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc12 ZINC000617503980 449648049 /nfs/dbraw/zinc/64/80/49/449648049.db2.gz CYURVTYPLMHPCN-ZDUSSCGKSA-N 2 1 346.479 1.279 20 0 EDADMP Cc1nn(C)c2ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc12 ZINC000617503980 449648054 /nfs/dbraw/zinc/64/80/54/449648054.db2.gz CYURVTYPLMHPCN-ZDUSSCGKSA-N 2 1 346.479 1.279 20 0 EDADMP COC(=O)c1ccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1C ZINC000602657662 449734417 /nfs/dbraw/zinc/73/44/17/449734417.db2.gz QRASIJQTUVFNPA-INIZCTEOSA-N 2 1 348.491 1.412 20 0 EDADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000594875137 449789571 /nfs/dbraw/zinc/78/95/71/449789571.db2.gz XHYDSVMAAUTUMB-CABCVRRESA-N 2 1 341.377 1.882 20 0 EDADMP COc1ccc(C[NH+](C)C)cc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000601350674 449863739 /nfs/dbraw/zinc/86/37/39/449863739.db2.gz ZWFNMWBBJVZKAD-HNNXBMFYSA-N 2 1 349.479 1.124 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000599308962 449880357 /nfs/dbraw/zinc/88/03/57/449880357.db2.gz GGACDIVKZNUHGA-GOSISDBHSA-N 2 1 348.466 1.548 20 0 EDADMP CCOC(=O)C[C@@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000599393499 449939700 /nfs/dbraw/zinc/93/97/00/449939700.db2.gz MFFNHTHRJGXCGZ-MRXNPFEDSA-N 2 1 335.448 1.713 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)N1CC(C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000615140835 449976879 /nfs/dbraw/zinc/97/68/79/449976879.db2.gz FJPMHGONMHFRNA-SFHVURJKSA-N 2 1 331.460 1.470 20 0 EDADMP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000615264815 450027555 /nfs/dbraw/zinc/02/75/55/450027555.db2.gz GGVUNUHRQKSZAN-IRXDYDNUSA-N 2 1 348.447 1.206 20 0 EDADMP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000615264815 450027558 /nfs/dbraw/zinc/02/75/58/450027558.db2.gz GGVUNUHRQKSZAN-IRXDYDNUSA-N 2 1 348.447 1.206 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)cn1 ZINC000615268169 450030230 /nfs/dbraw/zinc/03/02/30/450030230.db2.gz UHYDVNYLWHNZJZ-DLBZAZTESA-N 2 1 332.448 1.078 20 0 EDADMP CC(C)CNC(=O)CCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595341353 450054541 /nfs/dbraw/zinc/05/45/41/450054541.db2.gz WJPYGAOKKGGPCE-GOSISDBHSA-N 2 1 338.540 1.639 20 0 EDADMP COC(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000618527063 450232045 /nfs/dbraw/zinc/23/20/45/450232045.db2.gz AOJMZMYYRROWTA-UHFFFAOYSA-N 2 1 333.432 1.412 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000603656106 450338714 /nfs/dbraw/zinc/33/87/14/450338714.db2.gz GIMUUSDVFFORJO-INIZCTEOSA-N 2 1 330.432 1.155 20 0 EDADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CCCC[NH+]1CCOCC1 ZINC000618985448 450362832 /nfs/dbraw/zinc/36/28/32/450362832.db2.gz JYCLWLVUASCWRJ-QGZVFWFLSA-N 2 1 325.497 1.726 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000619897892 450364484 /nfs/dbraw/zinc/36/44/84/450364484.db2.gz FLTDOMYVXCOENK-OALUTQOASA-N 2 1 344.503 1.576 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000619897892 450364486 /nfs/dbraw/zinc/36/44/86/450364486.db2.gz FLTDOMYVXCOENK-OALUTQOASA-N 2 1 344.503 1.576 20 0 EDADMP CC[C@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[NH+](CC)CC ZINC000619970474 450387812 /nfs/dbraw/zinc/38/78/12/450387812.db2.gz MPCBLUQCTXMVIS-BRWVUGGUSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000620623294 450522050 /nfs/dbraw/zinc/52/20/50/450522050.db2.gz OOPRVUMYCWGOKV-UHFFFAOYSA-N 2 1 336.480 1.872 20 0 EDADMP C[C@H](CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C[NH+]1CCOCC1 ZINC000625943197 450539109 /nfs/dbraw/zinc/53/91/09/450539109.db2.gz MXFALTICFPZFGU-CQSZACIVSA-N 2 1 348.447 1.258 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000623572071 450545197 /nfs/dbraw/zinc/54/51/97/450545197.db2.gz PTPLMAWJNFDPCO-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000623572071 450545199 /nfs/dbraw/zinc/54/51/99/450545199.db2.gz PTPLMAWJNFDPCO-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+](C)CCNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000623572071 450545200 /nfs/dbraw/zinc/54/52/00/450545200.db2.gz PTPLMAWJNFDPCO-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000623719705 450572013 /nfs/dbraw/zinc/57/20/13/450572013.db2.gz HJCKFMLKXGYMCB-NVXWUHKLSA-N 2 1 348.491 1.909 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000623719705 450572015 /nfs/dbraw/zinc/57/20/15/450572015.db2.gz HJCKFMLKXGYMCB-NVXWUHKLSA-N 2 1 348.491 1.909 20 0 EDADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000623618248 450552690 /nfs/dbraw/zinc/55/26/90/450552690.db2.gz JYDMJOBIURHVTP-UHOSZYNNSA-N 2 1 344.503 1.751 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000623618248 450552692 /nfs/dbraw/zinc/55/26/92/450552692.db2.gz JYDMJOBIURHVTP-UHOSZYNNSA-N 2 1 344.503 1.751 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623618248 450552696 /nfs/dbraw/zinc/55/26/96/450552696.db2.gz JYDMJOBIURHVTP-UHOSZYNNSA-N 2 1 344.503 1.751 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623618248 450552697 /nfs/dbraw/zinc/55/26/97/450552697.db2.gz JYDMJOBIURHVTP-UHOSZYNNSA-N 2 1 344.503 1.751 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627257525 450586610 /nfs/dbraw/zinc/58/66/10/450586610.db2.gz ISVYEMPMKNVQRI-IAGOWNOFSA-N 2 1 325.497 1.556 20 0 EDADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CCOCC1 ZINC000629387783 450642914 /nfs/dbraw/zinc/64/29/14/450642914.db2.gz NDHFXDDFHHYFDF-UHFFFAOYSA-N 2 1 344.415 1.445 20 0 EDADMP CCC1([NH+]2CCOCC2)CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000629417975 450662816 /nfs/dbraw/zinc/66/28/16/450662816.db2.gz LZJDLCVCZDOYQU-UHFFFAOYSA-N 2 1 346.475 1.865 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC[N@H+]1C ZINC000631600807 450672212 /nfs/dbraw/zinc/67/22/12/450672212.db2.gz TWSDBPCLLFZWJH-IXDOHACOSA-N 2 1 325.497 1.676 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1nnc[nH]1 ZINC000631657822 450700541 /nfs/dbraw/zinc/70/05/41/450700541.db2.gz HGHJBKIYIYZPTE-UHFFFAOYSA-N 2 1 348.495 1.002 20 0 EDADMP Cn1ccnc1-c1cccc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000626361484 450703883 /nfs/dbraw/zinc/70/38/83/450703883.db2.gz IBQBASDDHJPUMB-OAHLLOKOSA-N 2 1 329.404 1.275 20 0 EDADMP Cn1ccnc1-c1cccc(NC(=O)NCCN2CC[C@@H](O)C2)c1 ZINC000626361484 450703886 /nfs/dbraw/zinc/70/38/86/450703886.db2.gz IBQBASDDHJPUMB-OAHLLOKOSA-N 2 1 329.404 1.275 20 0 EDADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000629514951 450722196 /nfs/dbraw/zinc/72/21/96/450722196.db2.gz WLAKREIXVPYMIL-RAIGVLPGSA-N 2 1 332.370 1.686 20 0 EDADMP O[C@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000629560324 450736462 /nfs/dbraw/zinc/73/64/62/450736462.db2.gz QWMFOVBLQSZFAY-WOJBJXKFSA-N 2 1 331.504 1.597 20 0 EDADMP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000629574321 450744239 /nfs/dbraw/zinc/74/42/39/450744239.db2.gz GYXPZCIEQLFDKT-LLVKDONJSA-N 2 1 329.828 1.583 20 0 EDADMP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000629574321 450744245 /nfs/dbraw/zinc/74/42/45/450744245.db2.gz GYXPZCIEQLFDKT-LLVKDONJSA-N 2 1 329.828 1.583 20 0 EDADMP C[C@@H](NC(=O)C[N@H+](C)CCOCC[NH3+])c1ccc2c(c1)CCCC2 ZINC000629580133 450747043 /nfs/dbraw/zinc/74/70/43/450747043.db2.gz TYVYBFKWPFPKFQ-OAHLLOKOSA-N 2 1 333.476 1.650 20 0 EDADMP C[C@@H](NC(=O)C[N@@H+](C)CCOCC[NH3+])c1ccc2c(c1)CCCC2 ZINC000629580133 450747050 /nfs/dbraw/zinc/74/70/50/450747050.db2.gz TYVYBFKWPFPKFQ-OAHLLOKOSA-N 2 1 333.476 1.650 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]CCc1cccc2c1OC(F)(F)O2)C1CC1 ZINC000629608256 450761457 /nfs/dbraw/zinc/76/14/57/450761457.db2.gz RTXVBBGPNFBLIE-ZDUSSCGKSA-N 2 1 328.359 1.595 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]CCc1cccc2c1OC(F)(F)O2)C1CC1 ZINC000629608256 450761461 /nfs/dbraw/zinc/76/14/61/450761461.db2.gz RTXVBBGPNFBLIE-ZDUSSCGKSA-N 2 1 328.359 1.595 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)C2)C1 ZINC000627505068 450781595 /nfs/dbraw/zinc/78/15/95/450781595.db2.gz UYKMGDQZWORALH-NSHGMRRFSA-N 2 1 327.472 1.886 20 0 EDADMP C[NH+]1C[C@@H](c2ccccc2)[C@H](C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000627505068 450781600 /nfs/dbraw/zinc/78/16/00/450781600.db2.gz UYKMGDQZWORALH-NSHGMRRFSA-N 2 1 327.472 1.886 20 0 EDADMP C[NH+]1C[C@@H](c2ccccc2)[C@H](C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000627505068 450781605 /nfs/dbraw/zinc/78/16/05/450781605.db2.gz UYKMGDQZWORALH-NSHGMRRFSA-N 2 1 327.472 1.886 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000635278337 450808518 /nfs/dbraw/zinc/80/85/18/450808518.db2.gz JWXDKLOLRVBOIS-OAHLLOKOSA-N 2 1 325.522 1.806 20 0 EDADMP Cc1cc(N2CCC(NC(=O)CC[C@H]3CCC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000621651798 450815171 /nfs/dbraw/zinc/81/51/71/450815171.db2.gz QDCDRBCSVYCPKD-MRXNPFEDSA-N 2 1 345.491 1.958 20 0 EDADMP O=C(CC[NH+]1CCC([NH2+]CCO)CC1)NCc1ccccc1Cl ZINC000631864305 450833134 /nfs/dbraw/zinc/83/31/34/450833134.db2.gz MXQOAHQTQNGHLW-UHFFFAOYSA-N 2 1 339.867 1.393 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631869014 450836769 /nfs/dbraw/zinc/83/67/69/450836769.db2.gz DNFMABXETOAHIF-KUHUBIRLSA-N 2 1 327.428 1.795 20 0 EDADMP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000631827061 450799342 /nfs/dbraw/zinc/79/93/42/450799342.db2.gz DNTZRJKXZVZURN-NUJGCVRESA-N 2 1 330.476 1.232 20 0 EDADMP Cn1c2cc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)ccc2oc1=O ZINC000631828849 450801157 /nfs/dbraw/zinc/80/11/57/450801157.db2.gz AATZKNQIHPMYNQ-RLFYNMQTSA-N 2 1 345.443 1.850 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000631828294 450801176 /nfs/dbraw/zinc/80/11/76/450801176.db2.gz LCVNEZXYMOHIPQ-CFVMTHIKSA-N 2 1 342.434 1.642 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn(C3CC3)nn2)CC1 ZINC000624549050 450891134 /nfs/dbraw/zinc/89/11/34/450891134.db2.gz HZLLWPNXYRVSTH-UHFFFAOYSA-N 2 1 327.392 1.012 20 0 EDADMP C[C@H]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[NH2+]1 ZINC000626924772 451007823 /nfs/dbraw/zinc/00/78/23/451007823.db2.gz XDDZFDSZDPKNNE-MAUKXSAKSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626937787 451019262 /nfs/dbraw/zinc/01/92/62/451019262.db2.gz YUWNCCWGNQAOMR-OAHLLOKOSA-N 2 1 326.485 1.306 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000626947691 451026313 /nfs/dbraw/zinc/02/63/13/451026313.db2.gz WTECXZZENHKMBH-OAHLLOKOSA-N 2 1 328.501 1.374 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626977411 451045974 /nfs/dbraw/zinc/04/59/74/451045974.db2.gz ZAMMSJKFIJEBCT-QWHCGFSZSA-N 2 1 338.418 1.887 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCCC2)CC1 ZINC000635539513 451035598 /nfs/dbraw/zinc/03/55/98/451035598.db2.gz QDZIIABUYNWLGK-MRXNPFEDSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H](C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[NH+](C)C ZINC000635542575 451038501 /nfs/dbraw/zinc/03/85/01/451038501.db2.gz ZSHHMYSLYURCJD-OAHLLOKOSA-N 2 1 325.497 1.866 20 0 EDADMP CN1CC[NH+](CC2CCN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)CC2)CC1 ZINC000635542183 451038672 /nfs/dbraw/zinc/03/86/72/451038672.db2.gz AOBGIVQWMHYEET-LJQANCHMSA-N 2 1 348.535 1.489 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cn2cc[nH+]c12 ZINC000626903066 450996087 /nfs/dbraw/zinc/99/60/87/450996087.db2.gz UHBCMJNOAOZKJB-HDICACEKSA-N 2 1 341.415 1.039 20 0 EDADMP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635559008 451055774 /nfs/dbraw/zinc/05/57/74/451055774.db2.gz OUVBGYAUBIEPKN-SFHVURJKSA-N 2 1 336.524 1.393 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635559008 451055778 /nfs/dbraw/zinc/05/57/78/451055778.db2.gz OUVBGYAUBIEPKN-SFHVURJKSA-N 2 1 336.524 1.393 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635559008 451055782 /nfs/dbraw/zinc/05/57/82/451055782.db2.gz OUVBGYAUBIEPKN-SFHVURJKSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@H](NC(=O)NC1(C[NH3+])CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000627011834 451075298 /nfs/dbraw/zinc/07/52/98/451075298.db2.gz KZOCUBNZTXMIJT-GJZGRUSLSA-N 2 1 338.496 1.447 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000632150973 451076364 /nfs/dbraw/zinc/07/63/64/451076364.db2.gz TZMBMGFGAWLROZ-HZPDHXFCSA-N 2 1 325.478 1.303 20 0 EDADMP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000635599337 451094835 /nfs/dbraw/zinc/09/48/35/451094835.db2.gz LJVSIILFNWJBRA-WMZOPIPTSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000635599337 451094838 /nfs/dbraw/zinc/09/48/38/451094838.db2.gz LJVSIILFNWJBRA-WMZOPIPTSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627038495 451095425 /nfs/dbraw/zinc/09/54/25/451095425.db2.gz MULRKGWNJPWJQI-RDJZCZTQSA-N 2 1 340.512 1.515 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)NC[C@H]2COCC[NH2+]2)CCC1 ZINC000627050085 451101819 /nfs/dbraw/zinc/10/18/19/451101819.db2.gz AQAVQBYWKBCLRE-KRWDZBQOSA-N 2 1 346.475 1.329 20 0 EDADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627111550 451128260 /nfs/dbraw/zinc/12/82/60/451128260.db2.gz SJSJGUXEQWPSBZ-CAOSSQGBSA-N 2 1 326.485 1.124 20 0 EDADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627111550 451128267 /nfs/dbraw/zinc/12/82/67/451128267.db2.gz SJSJGUXEQWPSBZ-CAOSSQGBSA-N 2 1 326.485 1.124 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000622534432 451165112 /nfs/dbraw/zinc/16/51/12/451165112.db2.gz FUELWJICGTYUGA-KRWDZBQOSA-N 2 1 327.432 1.567 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000622534432 451165118 /nfs/dbraw/zinc/16/51/18/451165118.db2.gz FUELWJICGTYUGA-KRWDZBQOSA-N 2 1 327.432 1.567 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000635745053 451214625 /nfs/dbraw/zinc/21/46/25/451214625.db2.gz TYBWKOJXCRWYCM-INIZCTEOSA-N 2 1 331.460 1.924 20 0 EDADMP C[C@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CC[N@@H+](C2CCC2)C1 ZINC000632361439 451224026 /nfs/dbraw/zinc/22/40/26/451224026.db2.gz ZXJGGECWKUMFGS-CQSZACIVSA-N 2 1 329.510 1.217 20 0 EDADMP C[C@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CC[N@H+](C2CCC2)C1 ZINC000632361439 451224030 /nfs/dbraw/zinc/22/40/30/451224030.db2.gz ZXJGGECWKUMFGS-CQSZACIVSA-N 2 1 329.510 1.217 20 0 EDADMP C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[NH2+]CCO1 ZINC000638085083 451249123 /nfs/dbraw/zinc/24/91/23/451249123.db2.gz JJXGVIZDFSYHES-PKOBYXMFSA-N 2 1 331.460 1.046 20 0 EDADMP CC(C)CC[C@@H]([NH3+])C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000638089765 451256344 /nfs/dbraw/zinc/25/63/44/451256344.db2.gz CUOBTHZWUMXPPJ-FGTMMUONSA-N 2 1 338.540 1.767 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH2+]1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634261220 451256348 /nfs/dbraw/zinc/25/63/48/451256348.db2.gz ZBYYJLBZFKDRPR-HKUYNNGSSA-N 2 1 346.475 1.065 20 0 EDADMP COc1cccc([C@@H]([NH3+])C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000638098668 451263717 /nfs/dbraw/zinc/26/37/17/451263717.db2.gz CRYKSPSIKYIMHS-QGZVFWFLSA-N 2 1 347.459 1.456 20 0 EDADMP [NH3+]Cc1cnn(Cc2cn([C@@H]3CC[N@@H+](Cc4ccccc4)C3)nn2)c1 ZINC000630591091 451266826 /nfs/dbraw/zinc/26/68/26/451266826.db2.gz CTQAMRTWUSCPGS-GOSISDBHSA-N 2 1 337.431 1.429 20 0 EDADMP C[C@H]1C[C@H](NC(=O)c2cnc(C[NH3+])nc2)CC[N@H+]1Cc1ccccc1 ZINC000638104429 451271511 /nfs/dbraw/zinc/27/15/11/451271511.db2.gz ZQCGKEXMFRPGGM-WMLDXEAASA-N 2 1 339.443 1.718 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638123211 451293592 /nfs/dbraw/zinc/29/35/92/451293592.db2.gz PEUAFIGTEXFJFN-GOSISDBHSA-N 2 1 343.475 1.547 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638123211 451293597 /nfs/dbraw/zinc/29/35/97/451293597.db2.gz PEUAFIGTEXFJFN-GOSISDBHSA-N 2 1 343.475 1.547 20 0 EDADMP [NH3+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000638138578 451312503 /nfs/dbraw/zinc/31/25/03/451312503.db2.gz IBXVWDSMFUXGIP-JENIJYKNSA-N 2 1 329.444 1.085 20 0 EDADMP C[NH2+]CCC1CCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638152829 451323948 /nfs/dbraw/zinc/32/39/48/451323948.db2.gz RWQCOCYYSASNPN-GOSISDBHSA-N 2 1 332.492 1.294 20 0 EDADMP C[NH2+]CCC1CCN(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638152829 451323953 /nfs/dbraw/zinc/32/39/53/451323953.db2.gz RWQCOCYYSASNPN-GOSISDBHSA-N 2 1 332.492 1.294 20 0 EDADMP [NH3+][C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2)C1CC1 ZINC000638155052 451325700 /nfs/dbraw/zinc/32/57/00/451325700.db2.gz RPKCRZWHUZJHMH-NSHGMRRFSA-N 2 1 343.471 1.379 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1Cc2cncn2C1)[N@@H+]1CCc2sccc2C1 ZINC000636588710 451330305 /nfs/dbraw/zinc/33/03/05/451330305.db2.gz LTGDIAUYHRXQKU-JSGCOSHPSA-N 2 1 345.472 1.615 20 0 EDADMP C[C@@H](CNC(=O)N[C@H]1Cc2cncn2C1)[N@H+]1CCc2sccc2C1 ZINC000636588710 451330307 /nfs/dbraw/zinc/33/03/07/451330307.db2.gz LTGDIAUYHRXQKU-JSGCOSHPSA-N 2 1 345.472 1.615 20 0 EDADMP C[NH+](C)CCCOc1cnccc1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635935179 451378297 /nfs/dbraw/zinc/37/82/97/451378297.db2.gz ZFIQYOXJSFRTRS-OAHLLOKOSA-N 2 1 334.464 1.370 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC000634456673 451348105 /nfs/dbraw/zinc/34/81/05/451348105.db2.gz IQUCJRCFBBOSNQ-ZWKOTPCHSA-N 2 1 331.460 1.406 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC000634456673 451348108 /nfs/dbraw/zinc/34/81/08/451348108.db2.gz IQUCJRCFBBOSNQ-ZWKOTPCHSA-N 2 1 331.460 1.406 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000634456673 451348110 /nfs/dbraw/zinc/34/81/10/451348110.db2.gz IQUCJRCFBBOSNQ-ZWKOTPCHSA-N 2 1 331.460 1.406 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC000634456673 451348112 /nfs/dbraw/zinc/34/81/12/451348112.db2.gz IQUCJRCFBBOSNQ-ZWKOTPCHSA-N 2 1 331.460 1.406 20 0 EDADMP C[N@H+]1CCCC[C@@H](CNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000628749186 451397083 /nfs/dbraw/zinc/39/70/83/451397083.db2.gz IIYUPJFIMVYRLD-ICSRJNTNSA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000628749186 451397092 /nfs/dbraw/zinc/39/70/92/451397092.db2.gz IIYUPJFIMVYRLD-ICSRJNTNSA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000628749186 451397098 /nfs/dbraw/zinc/39/70/98/451397098.db2.gz IIYUPJFIMVYRLD-ICSRJNTNSA-N 2 1 345.487 1.472 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000638297181 451411875 /nfs/dbraw/zinc/41/18/75/451411875.db2.gz JLPQMYCIASMEAC-YQQAZPJKSA-N 2 1 337.851 1.580 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000638297181 451411878 /nfs/dbraw/zinc/41/18/78/451411878.db2.gz JLPQMYCIASMEAC-YQQAZPJKSA-N 2 1 337.851 1.580 20 0 EDADMP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638334816 451439800 /nfs/dbraw/zinc/43/98/00/451439800.db2.gz FEDCNKYPGAOKEN-QGZVFWFLSA-N 3 1 346.519 1.860 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000630838125 451429702 /nfs/dbraw/zinc/42/97/02/451429702.db2.gz WCEHMUBQXYKMOB-DLBZAZTESA-N 2 1 345.491 1.180 20 0 EDADMP O[C@@H](COc1cc(Cl)cc(Cl)c1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000634642780 451436088 /nfs/dbraw/zinc/43/60/88/451436088.db2.gz QNVYAHOQBSLNGX-UHIISALHSA-N 2 1 331.243 1.884 20 0 EDADMP O[C@@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000634642780 451436094 /nfs/dbraw/zinc/43/60/94/451436094.db2.gz QNVYAHOQBSLNGX-UHIISALHSA-N 2 1 331.243 1.884 20 0 EDADMP COc1ccc(CN2CC[C@H]2C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000636052366 451467672 /nfs/dbraw/zinc/46/76/72/451467672.db2.gz CQIIUICJNGSMAU-AEFFLSMTSA-N 2 1 331.460 1.822 20 0 EDADMP C[C@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000634698934 451471041 /nfs/dbraw/zinc/47/10/41/451471041.db2.gz BKTVBHUUCTTZNM-UYAOXDASSA-N 2 1 331.504 1.945 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000638379769 451475384 /nfs/dbraw/zinc/47/53/84/451475384.db2.gz MZGUOMPAEPIHFC-TVRKMHQQSA-N 2 1 330.476 1.176 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000638388968 451480943 /nfs/dbraw/zinc/48/09/43/451480943.db2.gz KSJNYBTZRHUYBV-GOSISDBHSA-N 2 1 344.434 1.360 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000638388968 451480946 /nfs/dbraw/zinc/48/09/46/451480946.db2.gz KSJNYBTZRHUYBV-GOSISDBHSA-N 2 1 344.434 1.360 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000638400632 451488974 /nfs/dbraw/zinc/48/89/74/451488974.db2.gz KGTYHJNOEKWQQG-MSOLQXFVSA-N 2 1 346.519 1.682 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000638400632 451488978 /nfs/dbraw/zinc/48/89/78/451488978.db2.gz KGTYHJNOEKWQQG-MSOLQXFVSA-N 2 1 346.519 1.682 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638400632 451488982 /nfs/dbraw/zinc/48/89/82/451488982.db2.gz KGTYHJNOEKWQQG-MSOLQXFVSA-N 2 1 346.519 1.682 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000638400632 451488987 /nfs/dbraw/zinc/48/89/87/451488987.db2.gz KGTYHJNOEKWQQG-MSOLQXFVSA-N 2 1 346.519 1.682 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638400632 451488991 /nfs/dbraw/zinc/48/89/91/451488991.db2.gz KGTYHJNOEKWQQG-MSOLQXFVSA-N 2 1 346.519 1.682 20 0 EDADMP CC(=O)N1CCC[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634713294 451492426 /nfs/dbraw/zinc/49/24/26/451492426.db2.gz TZMZTUPGBJXUHV-UXHICEINSA-N 2 1 345.487 1.472 20 0 EDADMP CC(=O)N1CCC[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634713294 451492431 /nfs/dbraw/zinc/49/24/31/451492431.db2.gz TZMZTUPGBJXUHV-UXHICEINSA-N 2 1 345.487 1.472 20 0 EDADMP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000638340000 451444373 /nfs/dbraw/zinc/44/43/73/451444373.db2.gz PMYQBEDOVSWERD-KRWDZBQOSA-N 2 1 346.475 1.393 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000638340000 451444376 /nfs/dbraw/zinc/44/43/76/451444376.db2.gz PMYQBEDOVSWERD-KRWDZBQOSA-N 2 1 346.475 1.393 20 0 EDADMP O[C@@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000634719369 451500365 /nfs/dbraw/zinc/50/03/65/451500365.db2.gz SNJCJCDNQJLEEH-VQTJNVASSA-N 2 1 347.503 1.060 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C[NH+]1CCCC1 ZINC000634723553 451503909 /nfs/dbraw/zinc/50/39/09/451503909.db2.gz XCGMRSUFPXBCCH-XYPHTWIQSA-N 2 1 326.387 1.841 20 0 EDADMP COc1cc(F)cc(OC)c1C[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000631039787 451547217 /nfs/dbraw/zinc/54/72/17/451547217.db2.gz CQBJHXQPXSUHLA-UHFFFAOYSA-N 2 1 339.455 1.960 20 0 EDADMP COCC[NH2+]CC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000638513486 451553953 /nfs/dbraw/zinc/55/39/53/451553953.db2.gz MQUTWAHIKSDIRG-SFHVURJKSA-N 2 1 333.476 1.591 20 0 EDADMP [NH3+]C1(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCOCC1 ZINC000638539346 451566835 /nfs/dbraw/zinc/56/68/35/451566835.db2.gz OCDAHQWRFQOYSA-INIZCTEOSA-N 2 1 349.450 1.662 20 0 EDADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000636203741 451582055 /nfs/dbraw/zinc/58/20/55/451582055.db2.gz YNLIKNBJMQRGML-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(CCOc3ccccc3Cl)nn2)CC1 ZINC000640795844 451589084 /nfs/dbraw/zinc/58/90/84/451589084.db2.gz FYGAQNZJHJMLRD-UHFFFAOYSA-N 2 1 349.866 1.976 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(CC[NH+]3CCCCC3)nn2)CC1 ZINC000640829295 451614588 /nfs/dbraw/zinc/61/45/88/451614588.db2.gz AURGRUCFMALUFS-MRXNPFEDSA-N 2 1 348.495 1.032 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C[C@H]3C[C@@H](O)C3)CC2)CC1 ZINC000629256466 451619701 /nfs/dbraw/zinc/61/97/01/451619701.db2.gz YVDYPNCQGLBLHU-RHNCMZPLSA-N 2 1 337.508 1.412 20 0 EDADMP COC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638800635 451694648 /nfs/dbraw/zinc/69/46/48/451694648.db2.gz OBJCKFHJBAWNHR-AZUAARDMSA-N 2 1 345.487 1.783 20 0 EDADMP [NH3+]Cc1ncc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000638800989 451694735 /nfs/dbraw/zinc/69/47/35/451694735.db2.gz RQDPYKWJABONAZ-OAHLLOKOSA-N 2 1 325.416 1.187 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638837057 451706168 /nfs/dbraw/zinc/70/61/68/451706168.db2.gz XMDBEVOMUWSAGJ-NEWSRXKRSA-N 2 1 345.487 1.639 20 0 EDADMP CC(C)(C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)N1CCOCC1 ZINC000638864016 451714437 /nfs/dbraw/zinc/71/44/37/451714437.db2.gz GKRGWRVEVHYNOH-UHFFFAOYSA-N 2 1 339.524 1.722 20 0 EDADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc3c(cn2)OCCO3)ccn1 ZINC000638899425 451724114 /nfs/dbraw/zinc/72/41/14/451724114.db2.gz BDIPHQNLXGMGAR-UHFFFAOYSA-N 2 1 344.415 1.478 20 0 EDADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccco1 ZINC000637139397 451738558 /nfs/dbraw/zinc/73/85/58/451738558.db2.gz JYQAULOTGBSQBQ-ILXRZTDVSA-N 2 1 338.452 1.075 20 0 EDADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccco1 ZINC000637139400 451739261 /nfs/dbraw/zinc/73/92/61/451739261.db2.gz JYQAULOTGBSQBQ-QLFBSQMISA-N 2 1 338.452 1.075 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000639170317 451784792 /nfs/dbraw/zinc/78/47/92/451784792.db2.gz SUTOHLSPNPEJBB-AWEZNQCLSA-N 2 1 331.526 1.557 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000644539337 451851081 /nfs/dbraw/zinc/85/10/81/451851081.db2.gz CBAWUHZLNBQQBX-QZTJIDSGSA-N 2 1 333.476 1.157 20 0 EDADMP Cc1ccc(NCCC[NH2+]C[C@@H](O)COc2ccccc2C)[nH+]c1 ZINC000644583068 451877767 /nfs/dbraw/zinc/87/77/67/451877767.db2.gz RUPAVTKYIJEPLD-QGZVFWFLSA-N 2 1 329.444 2.530 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000642684811 451915899 /nfs/dbraw/zinc/91/58/99/451915899.db2.gz TUUJAJGHEQVVKC-HUUCEWRRSA-N 2 1 346.475 1.141 20 0 EDADMP CCCN1C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1=O ZINC000644673482 451931900 /nfs/dbraw/zinc/93/19/00/451931900.db2.gz PDMCUKHIXTXNKE-QZTJIDSGSA-N 2 1 333.476 1.327 20 0 EDADMP CCCN1C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1=O ZINC000644673482 451931906 /nfs/dbraw/zinc/93/19/06/451931906.db2.gz PDMCUKHIXTXNKE-QZTJIDSGSA-N 2 1 333.476 1.327 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@]2(N)CC[NH+](C)C2)C1 ZINC000649288428 451963371 /nfs/dbraw/zinc/96/33/71/451963371.db2.gz PIBCTQPRNNTBTK-OXQOHEQNSA-N 2 1 344.503 1.568 20 0 EDADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@]2(N)CC[N@H+](C)C2)C1 ZINC000649288428 451963372 /nfs/dbraw/zinc/96/33/72/451963372.db2.gz PIBCTQPRNNTBTK-OXQOHEQNSA-N 2 1 344.503 1.568 20 0 EDADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@]2(N)CC[N@@H+](C)C2)C1 ZINC000649288428 451963377 /nfs/dbraw/zinc/96/33/77/451963377.db2.gz PIBCTQPRNNTBTK-OXQOHEQNSA-N 2 1 344.503 1.568 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000637608586 451971197 /nfs/dbraw/zinc/97/11/97/451971197.db2.gz WNPCLTCURYWHHN-FUHWJXTLSA-N 2 1 330.476 1.759 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000649299388 451976912 /nfs/dbraw/zinc/97/69/12/451976912.db2.gz PJIKKKTVPXOSDB-DQPZFDDXSA-N 2 1 344.459 1.592 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000649299388 451976917 /nfs/dbraw/zinc/97/69/17/451976917.db2.gz PJIKKKTVPXOSDB-DQPZFDDXSA-N 2 1 344.459 1.592 20 0 EDADMP CN(C(=O)[C@@H]1C[NH2+]CCOC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000649300805 451978107 /nfs/dbraw/zinc/97/81/07/451978107.db2.gz PGMCOBWWCSLPSP-QZTJIDSGSA-N 2 1 331.460 1.345 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000649305320 451981426 /nfs/dbraw/zinc/98/14/26/451981426.db2.gz MMJUIJBWQZSVFS-MSOLQXFVSA-N 2 1 331.460 1.393 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000649306190 451983426 /nfs/dbraw/zinc/98/34/26/451983426.db2.gz FIQBWIRLABFFOP-HNNXBMFYSA-N 2 1 325.403 1.999 20 0 EDADMP Cc1ccc(N2CCC(C(=O)NC[C@@](C)(O)CC[NH+](C)C)CC2)[nH+]c1 ZINC000642948570 451997316 /nfs/dbraw/zinc/99/73/16/451997316.db2.gz SUFFOILJYXJGNC-IBGZPJMESA-N 2 1 348.491 1.425 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@H]1[NH3+] ZINC000647012689 452004247 /nfs/dbraw/zinc/00/42/47/452004247.db2.gz YMJGFRRYNVTRAY-KZNAEPCWSA-N 2 1 331.460 1.473 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@H]1[NH3+] ZINC000647012689 452004249 /nfs/dbraw/zinc/00/42/49/452004249.db2.gz YMJGFRRYNVTRAY-KZNAEPCWSA-N 2 1 331.460 1.473 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)cnn1C ZINC000649326780 452006220 /nfs/dbraw/zinc/00/62/20/452006220.db2.gz IFYWCFSHOWXIHC-VSZNYVQBSA-N 2 1 345.491 1.117 20 0 EDADMP Cn1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)c([C@H]2CCC[NH2+]C2)n1 ZINC000649326543 452007325 /nfs/dbraw/zinc/00/73/25/452007325.db2.gz BJHXVSSOXRVBAD-UAGQMJEPSA-N 2 1 345.491 1.586 20 0 EDADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000649332760 452014664 /nfs/dbraw/zinc/01/46/64/452014664.db2.gz BZYNVUVAUNIBJB-QBUWPKIASA-N 2 1 343.471 1.534 20 0 EDADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)C2)C1 ZINC000647035320 452018373 /nfs/dbraw/zinc/01/83/73/452018373.db2.gz ABBDCGZTJDTXDF-PKOBYXMFSA-N 2 1 328.460 1.600 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)C2)C1 ZINC000647035320 452018379 /nfs/dbraw/zinc/01/83/79/452018379.db2.gz ABBDCGZTJDTXDF-PKOBYXMFSA-N 2 1 328.460 1.600 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C2)C1 ZINC000647035320 452018386 /nfs/dbraw/zinc/01/83/86/452018386.db2.gz ABBDCGZTJDTXDF-PKOBYXMFSA-N 2 1 328.460 1.600 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2)C1 ZINC000647035320 452018391 /nfs/dbraw/zinc/01/83/91/452018391.db2.gz ABBDCGZTJDTXDF-PKOBYXMFSA-N 2 1 328.460 1.600 20 0 EDADMP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)C2)C1 ZINC000647035317 452018714 /nfs/dbraw/zinc/01/87/14/452018714.db2.gz ABBDCGZTJDTXDF-HKUYNNGSSA-N 2 1 328.460 1.600 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)C2)C1 ZINC000647035317 452018721 /nfs/dbraw/zinc/01/87/21/452018721.db2.gz ABBDCGZTJDTXDF-HKUYNNGSSA-N 2 1 328.460 1.600 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C2)C1 ZINC000647035317 452018728 /nfs/dbraw/zinc/01/87/28/452018728.db2.gz ABBDCGZTJDTXDF-HKUYNNGSSA-N 2 1 328.460 1.600 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2)C1 ZINC000647035317 452018735 /nfs/dbraw/zinc/01/87/35/452018735.db2.gz ABBDCGZTJDTXDF-HKUYNNGSSA-N 2 1 328.460 1.600 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000649345594 452026266 /nfs/dbraw/zinc/02/62/66/452026266.db2.gz GPIPGRXSDWIROD-OAGGEKHMSA-N 2 1 346.479 1.292 20 0 EDADMP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)c2ccccc2O1 ZINC000649347355 452030577 /nfs/dbraw/zinc/03/05/77/452030577.db2.gz ROJUGQPMHQLXPC-STQMWFEESA-N 2 1 339.386 1.587 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@]2(N)CC[NH+](C)C2)CC1 ZINC000649378638 452051716 /nfs/dbraw/zinc/05/17/16/452051716.db2.gz PUPYQSLPQHXZOJ-VQIMIIECSA-N 2 1 336.524 1.523 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@]2(N)CC[N@H+](C)C2)CC1 ZINC000649378638 452051720 /nfs/dbraw/zinc/05/17/20/452051720.db2.gz PUPYQSLPQHXZOJ-VQIMIIECSA-N 2 1 336.524 1.523 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@]2(N)CC[N@@H+](C)C2)CC1 ZINC000649378638 452051723 /nfs/dbraw/zinc/05/17/23/452051723.db2.gz PUPYQSLPQHXZOJ-VQIMIIECSA-N 2 1 336.524 1.523 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@]2([NH3+])CCN(C)C2)CC1 ZINC000649378638 452051725 /nfs/dbraw/zinc/05/17/25/452051725.db2.gz PUPYQSLPQHXZOJ-VQIMIIECSA-N 2 1 336.524 1.523 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@]2([NH3+])CCN(C)C2)CC1 ZINC000649378638 452051728 /nfs/dbraw/zinc/05/17/28/452051728.db2.gz PUPYQSLPQHXZOJ-VQIMIIECSA-N 2 1 336.524 1.523 20 0 EDADMP c1ccc(N2CCN(C[C@@H]3CCC[N@H+](C[C@H]4CC[NH2+]C4)C3)CC2)nc1 ZINC000649414723 452076813 /nfs/dbraw/zinc/07/68/13/452076813.db2.gz SRBXOTFMHOFVFR-OALUTQOASA-N 2 1 343.519 1.525 20 0 EDADMP c1ccc(N2CCN(C[C@@H]3CCC[N@@H+](C[C@H]4CC[NH2+]C4)C3)CC2)nc1 ZINC000649414723 452076819 /nfs/dbraw/zinc/07/68/19/452076819.db2.gz SRBXOTFMHOFVFR-OALUTQOASA-N 2 1 343.519 1.525 20 0 EDADMP CC[C@H]1C[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1[NH3+] ZINC000649417100 452080603 /nfs/dbraw/zinc/08/06/03/452080603.db2.gz WUYXFVZYPJFIFZ-YJBOKZPZSA-N 2 1 348.466 1.534 20 0 EDADMP CC[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1[NH3+] ZINC000649417100 452080611 /nfs/dbraw/zinc/08/06/11/452080611.db2.gz WUYXFVZYPJFIFZ-YJBOKZPZSA-N 2 1 348.466 1.534 20 0 EDADMP COc1cccc(COC[C@H](O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639759950 452098140 /nfs/dbraw/zinc/09/81/40/452098140.db2.gz ORCDMOPGDAERAW-GOSISDBHSA-N 2 1 348.487 1.990 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000637856233 452115822 /nfs/dbraw/zinc/11/58/22/452115822.db2.gz JLRJRMHWAMMHQC-LJQANCHMSA-N 2 1 344.503 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000637856233 452115830 /nfs/dbraw/zinc/11/58/30/452115830.db2.gz JLRJRMHWAMMHQC-LJQANCHMSA-N 2 1 344.503 1.436 20 0 EDADMP CN1Cc2ccccc2[C@@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000645021510 452117697 /nfs/dbraw/zinc/11/76/97/452117697.db2.gz RSHXTOXQXFROHX-RYQLBKOJSA-N 2 1 328.460 1.909 20 0 EDADMP C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@H]3C[NH+](C)Cc4ccccc43)[C@@H]2C1 ZINC000645021510 452117702 /nfs/dbraw/zinc/11/77/02/452117702.db2.gz RSHXTOXQXFROHX-RYQLBKOJSA-N 2 1 328.460 1.909 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@H]3C[NH+](C)Cc4ccccc43)[C@@H]2C1 ZINC000645021510 452117706 /nfs/dbraw/zinc/11/77/06/452117706.db2.gz RSHXTOXQXFROHX-RYQLBKOJSA-N 2 1 328.460 1.909 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)[C@@H]2C1 ZINC000645021510 452117711 /nfs/dbraw/zinc/11/77/11/452117711.db2.gz RSHXTOXQXFROHX-RYQLBKOJSA-N 2 1 328.460 1.909 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000654013269 452203943 /nfs/dbraw/zinc/20/39/43/452203943.db2.gz YRHBLBFENLCOHE-HZPDHXFCSA-N 2 1 334.468 1.583 20 0 EDADMP CN(CCCC[NH+]1CCCCC1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000641698122 452205413 /nfs/dbraw/zinc/20/54/13/452205413.db2.gz RBXFLXGGKKIYKK-UHFFFAOYSA-N 2 1 331.526 1.608 20 0 EDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000643455478 452232523 /nfs/dbraw/zinc/23/25/23/452232523.db2.gz JYGUAGDYDPFDPV-CEXWTWQISA-N 2 1 338.540 1.293 20 0 EDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000643455478 452232527 /nfs/dbraw/zinc/23/25/27/452232527.db2.gz JYGUAGDYDPFDPV-CEXWTWQISA-N 2 1 338.540 1.293 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(OCc2ccccn2)cc1 ZINC000647492662 452235621 /nfs/dbraw/zinc/23/56/21/452235621.db2.gz RDAGXDCFFSHKLC-UHFFFAOYSA-N 2 1 340.471 1.998 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](CO)Cc1ccc(O)cc1 ZINC000647520088 452254917 /nfs/dbraw/zinc/25/49/17/452254917.db2.gz UWXLHIZDHGBWIV-AZUAARDMSA-N 2 1 344.455 1.378 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](CO)Cc1ccc(O)cc1 ZINC000647520088 452254920 /nfs/dbraw/zinc/25/49/20/452254920.db2.gz UWXLHIZDHGBWIV-AZUAARDMSA-N 2 1 344.455 1.378 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659424386 452267451 /nfs/dbraw/zinc/26/74/51/452267451.db2.gz UBCRSVKAGBDFPP-KRWDZBQOSA-N 2 1 338.496 1.130 20 0 EDADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC000647541256 452275222 /nfs/dbraw/zinc/27/52/22/452275222.db2.gz UZUTUJWESAMAIP-INIZCTEOSA-N 2 1 329.448 1.468 20 0 EDADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H](Cc2ccccc2)C1 ZINC000655486211 452282895 /nfs/dbraw/zinc/28/28/95/452282895.db2.gz POMJYXVFRLKVAN-BJLQDIEVSA-N 2 1 327.472 1.761 20 0 EDADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H](Cc2ccccc2)C1 ZINC000655486211 452282901 /nfs/dbraw/zinc/28/29/01/452282901.db2.gz POMJYXVFRLKVAN-BJLQDIEVSA-N 2 1 327.472 1.761 20 0 EDADMP C[C@H](CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000655487878 452285113 /nfs/dbraw/zinc/28/51/13/452285113.db2.gz OOCCLJRUGSWLMO-QXSJWSMHSA-N 2 1 325.497 1.626 20 0 EDADMP C[C@H](CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000655487878 452285123 /nfs/dbraw/zinc/28/51/23/452285123.db2.gz OOCCLJRUGSWLMO-QXSJWSMHSA-N 2 1 325.497 1.626 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)NCCOc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000641809677 452291033 /nfs/dbraw/zinc/29/10/33/452291033.db2.gz YMONIZXWPUTGQS-UONOGXRCSA-N 2 1 325.840 1.550 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1CCO ZINC000661497402 452296887 /nfs/dbraw/zinc/29/68/87/452296887.db2.gz IVVUNPCOZOPKOR-QRQLOZEOSA-N 2 1 347.503 1.888 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCC2(C[NH3+])CC2)C[C@H](C)O1 ZINC000652122939 452316797 /nfs/dbraw/zinc/31/67/97/452316797.db2.gz RULYPEKJTNEBSI-KBPBESRZSA-N 2 1 326.485 1.302 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000659472418 452330777 /nfs/dbraw/zinc/33/07/77/452330777.db2.gz HYQSPMKAAQIGNL-NJAFHUGGSA-N 2 1 330.476 1.948 20 0 EDADMP COC[C@@]1(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCCC[NH2+]1 ZINC000638053251 452331531 /nfs/dbraw/zinc/33/15/31/452331531.db2.gz IXSCOSPLNRFPET-LJQANCHMSA-N 2 1 333.476 1.783 20 0 EDADMP CCO[C@@H]1CN(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)C[C@H]1C[NH3+] ZINC000652141953 452335711 /nfs/dbraw/zinc/33/57/11/452335711.db2.gz DKAWNTPNYNDBOG-QZTJIDSGSA-N 2 1 348.491 1.644 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000641893786 452339626 /nfs/dbraw/zinc/33/96/26/452339626.db2.gz IFIXOTVZKLDFPP-IXDOHACOSA-N 2 1 338.496 1.127 20 0 EDADMP [NH3+]Cc1ccc(CNC(=O)NCC[NH+]2CCSCC2)c(F)c1 ZINC000652151567 452345375 /nfs/dbraw/zinc/34/53/75/452345375.db2.gz WNKGTNMCNPZGDX-UHFFFAOYSA-N 2 1 326.441 1.132 20 0 EDADMP CC(C)O[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665764106 452347479 /nfs/dbraw/zinc/34/74/79/452347479.db2.gz VAWJUKXXLQVWDK-JKSUJKDBSA-N 2 1 328.501 1.467 20 0 EDADMP CC(C)O[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665764106 452347486 /nfs/dbraw/zinc/34/74/86/452347486.db2.gz VAWJUKXXLQVWDK-JKSUJKDBSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2)C1 ZINC000638064714 452364832 /nfs/dbraw/zinc/36/48/32/452364832.db2.gz VYYFKSPJGDWBRF-JCGIZDLHSA-N 2 1 331.460 1.651 20 0 EDADMP C[C@H](CNC(=O)NCCN(C)CCC[NH+](C)C)[N@H+]1CCCC[C@@H]1C ZINC000663629127 452367017 /nfs/dbraw/zinc/36/70/17/452367017.db2.gz NOVBQTOPBVFRIW-DLBZAZTESA-N 2 1 341.544 1.432 20 0 EDADMP COC[C@]1(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCCC[NH2+]1 ZINC000638067191 452370560 /nfs/dbraw/zinc/37/05/60/452370560.db2.gz CHWAYLSNHWWFNV-IBGZPJMESA-N 2 1 331.460 1.320 20 0 EDADMP COC[C@]1(C(=O)NCC[N@H+]2CCc3ccccc3C2)CCCC[NH2+]1 ZINC000638067191 452370569 /nfs/dbraw/zinc/37/05/69/452370569.db2.gz CHWAYLSNHWWFNV-IBGZPJMESA-N 2 1 331.460 1.320 20 0 EDADMP COC[C@@]1(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCCC[NH2+]1 ZINC000638070575 452376142 /nfs/dbraw/zinc/37/61/42/452376142.db2.gz RRRNMSAWHPQGCU-HXUWFJFHSA-N 2 1 345.487 1.710 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCCO1 ZINC000652183102 452378702 /nfs/dbraw/zinc/37/87/02/452378702.db2.gz OLZBCFWVVKYSOD-RYRKJORJSA-N 2 1 338.496 1.258 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000659523857 452387537 /nfs/dbraw/zinc/38/75/37/452387537.db2.gz XUDJBUPQNJCMFW-ROUUACIJSA-N 2 1 348.491 1.426 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000645452129 452419054 /nfs/dbraw/zinc/41/90/54/452419054.db2.gz HDQNYJYZOVYFOK-PKOBYXMFSA-N 2 1 344.503 1.309 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000659572554 452427181 /nfs/dbraw/zinc/42/71/81/452427181.db2.gz XLRZNOJFWCWFNU-OWCLPIDISA-N 2 1 338.496 1.541 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000659572554 452427186 /nfs/dbraw/zinc/42/71/86/452427186.db2.gz XLRZNOJFWCWFNU-OWCLPIDISA-N 2 1 338.496 1.541 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659576942 452431955 /nfs/dbraw/zinc/43/19/55/452431955.db2.gz GYUQBLXYQIQJNG-QZTJIDSGSA-N 2 1 330.476 1.868 20 0 EDADMP CC[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000659584964 452440691 /nfs/dbraw/zinc/44/06/91/452440691.db2.gz GIACFIGCLDISJV-IAGOWNOFSA-N 2 1 334.439 1.618 20 0 EDADMP O=C(NCC12CC(C1)C[NH2+]2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000659621136 452479103 /nfs/dbraw/zinc/47/91/03/452479103.db2.gz WQYMJKDEBKELGB-UHFFFAOYSA-N 2 1 328.460 1.308 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654438421 452500394 /nfs/dbraw/zinc/50/03/94/452500394.db2.gz CRDTXCLVFNCPRZ-NXOAAHMSSA-N 2 1 340.512 1.658 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654438421 452500406 /nfs/dbraw/zinc/50/04/06/452500406.db2.gz CRDTXCLVFNCPRZ-NXOAAHMSSA-N 2 1 340.512 1.658 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654438421 452500413 /nfs/dbraw/zinc/50/04/13/452500413.db2.gz CRDTXCLVFNCPRZ-NXOAAHMSSA-N 2 1 340.512 1.658 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654438421 452500422 /nfs/dbraw/zinc/50/04/22/452500422.db2.gz CRDTXCLVFNCPRZ-NXOAAHMSSA-N 2 1 340.512 1.658 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)NCC3CCCCC3)C2)C1 ZINC000652345640 452519208 /nfs/dbraw/zinc/51/92/08/452519208.db2.gz HHEXXLFJVCZSDN-RCCFBDPRSA-N 2 1 337.508 1.901 20 0 EDADMP Cc1cccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655706908 452526475 /nfs/dbraw/zinc/52/64/75/452526475.db2.gz NMRCEICQVGSGNL-ZWKOTPCHSA-N 2 1 334.460 1.578 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654461136 452527745 /nfs/dbraw/zinc/52/77/45/452527745.db2.gz ZYZZVXBOIDJKSY-OAGGEKHMSA-N 2 1 340.512 1.658 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654461136 452527751 /nfs/dbraw/zinc/52/77/51/452527751.db2.gz ZYZZVXBOIDJKSY-OAGGEKHMSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351934 452530254 /nfs/dbraw/zinc/53/02/54/452530254.db2.gz KGBDLQSSEXPQHS-DFEOGRTESA-N 2 1 337.508 1.759 20 0 EDADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351934 452530262 /nfs/dbraw/zinc/53/02/62/452530262.db2.gz KGBDLQSSEXPQHS-DFEOGRTESA-N 2 1 337.508 1.759 20 0 EDADMP C[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)[C@@H]1CC[NH3+] ZINC000652354386 452530912 /nfs/dbraw/zinc/53/09/12/452530912.db2.gz VWEGVOHOQOLFNN-OWCLPIDISA-N 2 1 347.459 1.392 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)[C@@H]1CC[NH3+] ZINC000652354386 452530920 /nfs/dbraw/zinc/53/09/20/452530920.db2.gz VWEGVOHOQOLFNN-OWCLPIDISA-N 2 1 347.459 1.392 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCC(=O)Nc2cccnc2)C1 ZINC000652363777 452544085 /nfs/dbraw/zinc/54/40/85/452544085.db2.gz NECVDVHBZBASAJ-OIISXLGYSA-N 2 1 332.448 1.771 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000659683399 452557083 /nfs/dbraw/zinc/55/70/83/452557083.db2.gz XULIRRJBHGSDSF-STQMWFEESA-N 2 1 343.431 1.082 20 0 EDADMP Cc1cn2ccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2n1 ZINC000657856690 452572459 /nfs/dbraw/zinc/57/24/59/452572459.db2.gz PIMUPQSWANJCHO-UKRRQHHQSA-N 2 1 343.431 1.522 20 0 EDADMP CC(C)C[N@H+](C)CCCNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000650179486 452578285 /nfs/dbraw/zinc/57/82/85/452578285.db2.gz LYGIWXGLRWTTNT-UHFFFAOYSA-N 2 1 346.479 1.742 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000650179486 452578292 /nfs/dbraw/zinc/57/82/92/452578292.db2.gz LYGIWXGLRWTTNT-UHFFFAOYSA-N 2 1 346.479 1.742 20 0 EDADMP COc1cc(NC(=O)CC[N@@H+](C)CCC[NH3+])c(OC)cc1Cl ZINC000647848461 452582553 /nfs/dbraw/zinc/58/25/53/452582553.db2.gz SEPNGLXATZAKLZ-UHFFFAOYSA-N 2 1 329.828 1.966 20 0 EDADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655802225 452587050 /nfs/dbraw/zinc/58/70/50/452587050.db2.gz ZLZYRMIWHKWBPP-LISAXSMJSA-N 2 1 325.497 1.327 20 0 EDADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)Cn3cncn3)CC2)oc1C ZINC000657881236 452588787 /nfs/dbraw/zinc/58/87/87/452588787.db2.gz ZNYGOXJREHEFTG-ZDUSSCGKSA-N 2 1 332.452 1.773 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCc1nccs1 ZINC000663877142 452600718 /nfs/dbraw/zinc/60/07/18/452600718.db2.gz SHTJGNKHKYHIRR-ZDUSSCGKSA-N 2 1 327.498 1.257 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCc1nccs1 ZINC000663877142 452600724 /nfs/dbraw/zinc/60/07/24/452600724.db2.gz SHTJGNKHKYHIRR-ZDUSSCGKSA-N 2 1 327.498 1.257 20 0 EDADMP CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000657972242 452650780 /nfs/dbraw/zinc/65/07/80/452650780.db2.gz BEMKBNQIONOAEK-AWEZNQCLSA-N 2 1 329.404 1.134 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655922135 452687129 /nfs/dbraw/zinc/68/71/29/452687129.db2.gz QDKYXBXMXMVVNS-OCCSQVGLSA-N 2 1 344.381 1.792 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655922135 452687138 /nfs/dbraw/zinc/68/71/38/452687138.db2.gz QDKYXBXMXMVVNS-OCCSQVGLSA-N 2 1 344.381 1.792 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3)C[N@H+](C)C4)C2)C1 ZINC000645695083 452698818 /nfs/dbraw/zinc/69/88/18/452698818.db2.gz NWSMGLACWNRNFW-IBGZPJMESA-N 2 1 342.443 1.125 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3)C[N@@H+](C)C4)C2)C1 ZINC000645695083 452698824 /nfs/dbraw/zinc/69/88/24/452698824.db2.gz NWSMGLACWNRNFW-IBGZPJMESA-N 2 1 342.443 1.125 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)cc2C1 ZINC000645695083 452698830 /nfs/dbraw/zinc/69/88/30/452698830.db2.gz NWSMGLACWNRNFW-IBGZPJMESA-N 2 1 342.443 1.125 20 0 EDADMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)cc2C1 ZINC000645695083 452698839 /nfs/dbraw/zinc/69/88/39/452698839.db2.gz NWSMGLACWNRNFW-IBGZPJMESA-N 2 1 342.443 1.125 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)nn3)C[C@H]21 ZINC000655937651 452707170 /nfs/dbraw/zinc/70/71/70/452707170.db2.gz DSGBGZXZHVXFDS-RAIGVLPGSA-N 2 1 330.354 1.977 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)nn3)C[C@H]21 ZINC000655937651 452707178 /nfs/dbraw/zinc/70/71/78/452707178.db2.gz DSGBGZXZHVXFDS-RAIGVLPGSA-N 2 1 330.354 1.977 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970558 452752163 /nfs/dbraw/zinc/75/21/63/452752163.db2.gz HYOBJZYHNBYLHG-LEOABGAYSA-N 2 1 326.485 1.110 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970558 452752173 /nfs/dbraw/zinc/75/21/73/452752173.db2.gz HYOBJZYHNBYLHG-LEOABGAYSA-N 2 1 326.485 1.110 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000655971293 452754278 /nfs/dbraw/zinc/75/42/78/452754278.db2.gz ZFOUQJNCCAINBX-WCVJEAGWSA-N 2 1 326.485 1.268 20 0 EDADMP CCCN(C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000655971293 452754289 /nfs/dbraw/zinc/75/42/89/452754289.db2.gz ZFOUQJNCCAINBX-WCVJEAGWSA-N 2 1 326.485 1.268 20 0 EDADMP CC(=O)NCC[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000648063141 452791169 /nfs/dbraw/zinc/79/11/69/452791169.db2.gz SUMUSDSLPOGVIY-UHFFFAOYSA-N 2 1 332.492 1.785 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1c[nH]nc1-c1cccnc1)CCO2 ZINC000648071544 452799911 /nfs/dbraw/zinc/79/99/11/452799911.db2.gz HSGIERLSKYENKB-UHFFFAOYSA-N 2 1 327.432 1.768 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1c[nH]nc1-c1cccnc1)CCO2 ZINC000648071544 452799917 /nfs/dbraw/zinc/79/99/17/452799917.db2.gz HSGIERLSKYENKB-UHFFFAOYSA-N 2 1 327.432 1.768 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654734988 452860574 /nfs/dbraw/zinc/86/05/74/452860574.db2.gz OBZLTHSUDSFALB-BBWFWOEESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654734988 452860584 /nfs/dbraw/zinc/86/05/84/452860584.db2.gz OBZLTHSUDSFALB-BBWFWOEESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCCC[NH+]1CCO)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654734988 452860592 /nfs/dbraw/zinc/86/05/92/452860592.db2.gz OBZLTHSUDSFALB-BBWFWOEESA-N 2 1 338.496 1.149 20 0 EDADMP O[C@H](Cc1cccc(Cl)c1)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152169 452889241 /nfs/dbraw/zinc/88/92/41/452889241.db2.gz PYKCASWTIRQNQR-ZWKOTPCHSA-N 2 1 338.879 1.774 20 0 EDADMP O[C@H](Cc1cccc(Cl)c1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152169 452889253 /nfs/dbraw/zinc/88/92/53/452889253.db2.gz PYKCASWTIRQNQR-ZWKOTPCHSA-N 2 1 338.879 1.774 20 0 EDADMP CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249386 452975317 /nfs/dbraw/zinc/97/53/17/452975317.db2.gz LVWVSZRGNREGNF-MRXNPFEDSA-N 2 1 335.423 1.996 20 0 EDADMP Nc1nsc(N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)n1 ZINC000662262536 452995006 /nfs/dbraw/zinc/99/50/06/452995006.db2.gz HGFRTPRZMOIUDL-UHFFFAOYSA-N 2 1 330.461 1.088 20 0 EDADMP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298183 453020848 /nfs/dbraw/zinc/02/08/48/453020848.db2.gz UTWWZMWQLIPSBM-GOSISDBHSA-N 2 1 339.524 1.877 20 0 EDADMP [NH3+]CC12CC(C1)C[N@@H+]2CCCCCn1nnc(-c2ccccc2)n1 ZINC000662304127 453025781 /nfs/dbraw/zinc/02/57/81/453025781.db2.gz IWKDTQZQPGQZAP-UHFFFAOYSA-N 2 1 326.448 1.934 20 0 EDADMP [NH3+]CC12CC(C1)C[N@H+]2CCCCCn1nnc(-c2ccccc2)n1 ZINC000662304127 453025789 /nfs/dbraw/zinc/02/57/89/453025789.db2.gz IWKDTQZQPGQZAP-UHFFFAOYSA-N 2 1 326.448 1.934 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000662315408 453031820 /nfs/dbraw/zinc/03/18/20/453031820.db2.gz FGRJMAJEBSNMCK-CVEARBPZSA-N 2 1 334.464 1.425 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000662315414 453032353 /nfs/dbraw/zinc/03/23/53/453032353.db2.gz FGRJMAJEBSNMCK-JKSUJKDBSA-N 2 1 334.464 1.425 20 0 EDADMP C[NH+](C)C1(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000666647237 453034122 /nfs/dbraw/zinc/03/41/22/453034122.db2.gz FSZSTGQSWIWUSX-UHFFFAOYSA-N 2 1 344.459 1.417 20 0 EDADMP Cc1nc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)oc1C ZINC000662336372 453053140 /nfs/dbraw/zinc/05/31/40/453053140.db2.gz CVYJUFBSAUYMPB-OAHLLOKOSA-N 2 1 344.463 1.804 20 0 EDADMP Cc1nc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)oc1C ZINC000662336372 453053148 /nfs/dbraw/zinc/05/31/48/453053148.db2.gz CVYJUFBSAUYMPB-OAHLLOKOSA-N 2 1 344.463 1.804 20 0 EDADMP Cc1ncc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000662338944 453057289 /nfs/dbraw/zinc/05/72/89/453057289.db2.gz XMNDQTFCAMVRBR-AWEZNQCLSA-N 2 1 346.504 1.964 20 0 EDADMP C[C@H](C[C@@H]1CCOC1)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664421880 453082283 /nfs/dbraw/zinc/08/22/83/453082283.db2.gz QPUYWOPAFXQPBW-PMPSAXMXSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@H](C[C@@H]1CCOC1)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664421880 453082287 /nfs/dbraw/zinc/08/22/87/453082287.db2.gz QPUYWOPAFXQPBW-PMPSAXMXSA-N 2 1 328.501 1.373 20 0 EDADMP CN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000644153830 453085502 /nfs/dbraw/zinc/08/55/02/453085502.db2.gz VQZWCSYQWPSKHC-CVEARBPZSA-N 2 1 337.414 1.964 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662382434 453093390 /nfs/dbraw/zinc/09/33/90/453093390.db2.gz LDZSOJSOVPHHOS-KRWDZBQOSA-N 2 1 333.476 1.763 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CO)CC3CC3)CC2)CC1 ZINC000654978946 453098095 /nfs/dbraw/zinc/09/80/95/453098095.db2.gz FRPSBDGWVWDUCZ-QGZVFWFLSA-N 2 1 337.508 1.460 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC3(C[C@H]2C)CCOCC3)CC1 ZINC000646100178 453101223 /nfs/dbraw/zinc/10/12/23/453101223.db2.gz PAXNWQURYUODTQ-MRXNPFEDSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662406241 453118454 /nfs/dbraw/zinc/11/84/54/453118454.db2.gz DPWDFFXKQFCVGC-QLFBSQMISA-N 2 1 348.495 1.299 20 0 EDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000666770768 453135337 /nfs/dbraw/zinc/13/53/37/453135337.db2.gz VRNPMZBGNSRDJJ-MLGOLLRUSA-N 2 1 330.432 1.245 20 0 EDADMP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662439265 453145763 /nfs/dbraw/zinc/14/57/63/453145763.db2.gz LLFKPZGLWFRWSE-ZDUSSCGKSA-N 2 1 344.253 1.143 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662439265 453145773 /nfs/dbraw/zinc/14/57/73/453145773.db2.gz LLFKPZGLWFRWSE-ZDUSSCGKSA-N 2 1 344.253 1.143 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662452851 453161731 /nfs/dbraw/zinc/16/17/31/453161731.db2.gz PQUAALQKMWGJRM-SJORKVTESA-N 2 1 331.460 1.516 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662501453 453218478 /nfs/dbraw/zinc/21/84/78/453218478.db2.gz AQDVKDKUMIQWEO-OKZBNKHCSA-N 2 1 333.476 1.780 20 0 EDADMP CC[C@H]([NH2+]C)C(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662501453 453218489 /nfs/dbraw/zinc/21/84/89/453218489.db2.gz AQDVKDKUMIQWEO-OKZBNKHCSA-N 2 1 333.476 1.780 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)C1 ZINC000666926340 453253680 /nfs/dbraw/zinc/25/36/80/453253680.db2.gz NULCFBQXJWMANR-MRXNPFEDSA-N 3 1 339.528 1.138 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000666926340 453253686 /nfs/dbraw/zinc/25/36/86/453253686.db2.gz NULCFBQXJWMANR-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000666926340 453253689 /nfs/dbraw/zinc/25/36/89/453253689.db2.gz NULCFBQXJWMANR-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000666926340 453253695 /nfs/dbraw/zinc/25/36/95/453253695.db2.gz NULCFBQXJWMANR-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000666926340 453253701 /nfs/dbraw/zinc/25/37/01/453253701.db2.gz NULCFBQXJWMANR-MRXNPFEDSA-N 2 1 339.528 1.138 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)[NH+]1CCOCC1 ZINC000653107298 453289986 /nfs/dbraw/zinc/28/99/86/453289986.db2.gz CROOPLKFDIWTBS-KSZLIROESA-N 2 1 337.508 1.770 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])c2ccccc2Br)CC[NH2+]1 ZINC000662562918 453291564 /nfs/dbraw/zinc/29/15/64/453291564.db2.gz QZOISMIOZXKYHI-GIPNMCIBSA-N 2 1 326.238 1.706 20 0 EDADMP [NH3+]CC[C@H](NC(=O)[C@@H]([NH3+])c1ccccc1Br)C(F)F ZINC000662565292 453292437 /nfs/dbraw/zinc/29/24/37/453292437.db2.gz ABUUHNCYCKZHGW-UWVGGRQHSA-N 2 1 336.180 1.548 20 0 EDADMP CC[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000653110069 453294842 /nfs/dbraw/zinc/29/48/42/453294842.db2.gz WUHRXTWPULNCGO-ZWKOTPCHSA-N 2 1 332.492 1.219 20 0 EDADMP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662571897 453297984 /nfs/dbraw/zinc/29/79/84/453297984.db2.gz SDELBIHERDYWJS-NSHDSACASA-N 2 1 346.460 1.662 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653120546 453310340 /nfs/dbraw/zinc/31/03/40/453310340.db2.gz SWGURSXAKSJPAB-SJORKVTESA-N 2 1 345.491 1.098 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662589335 453315074 /nfs/dbraw/zinc/31/50/74/453315074.db2.gz AZXBJURGFZLRDI-CYBMUJFWSA-N 2 1 334.464 1.992 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccccc3CC[NH3+])CC2)C1 ZINC000653125340 453319491 /nfs/dbraw/zinc/31/94/91/453319491.db2.gz WPZMYNQEQCCYFX-KRWDZBQOSA-N 2 1 330.476 1.040 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC[N@H+]1C ZINC000648842517 453322868 /nfs/dbraw/zinc/32/28/68/453322868.db2.gz AHEREHBHEQOJPQ-OWYHZJEWSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC[NH+]1C ZINC000648842517 453322874 /nfs/dbraw/zinc/32/28/74/453322874.db2.gz AHEREHBHEQOJPQ-OWYHZJEWSA-N 2 1 345.487 1.326 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC[NH+]1C ZINC000648842517 453322882 /nfs/dbraw/zinc/32/28/82/453322882.db2.gz AHEREHBHEQOJPQ-OWYHZJEWSA-N 2 1 345.487 1.326 20 0 EDADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cn(-c4ccccc4)nn3)CC2)C1 ZINC000667054066 453369095 /nfs/dbraw/zinc/36/90/95/453369095.db2.gz CVMOKSRQPXRTGG-APWZRJJASA-N 2 1 341.459 1.986 20 0 EDADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cn(-c4ccccc4)nn3)CC2)C1 ZINC000667054068 453370016 /nfs/dbraw/zinc/37/00/16/453370016.db2.gz CVMOKSRQPXRTGG-QFBILLFUSA-N 2 1 341.459 1.986 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCc3cccnc32)CC1 ZINC000667054695 453372087 /nfs/dbraw/zinc/37/20/87/453372087.db2.gz RLTBIYYWOIJZGS-OAHLLOKOSA-N 2 1 337.427 1.897 20 0 EDADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000662663407 453378688 /nfs/dbraw/zinc/37/86/88/453378688.db2.gz FJHSHWDIWCLMSH-FUHWJXTLSA-N 2 1 329.444 1.544 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000664758519 453379910 /nfs/dbraw/zinc/37/99/10/453379910.db2.gz OQQHDRFSKDDXOL-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000664758519 453379916 /nfs/dbraw/zinc/37/99/16/453379916.db2.gz OQQHDRFSKDDXOL-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000664758519 453379927 /nfs/dbraw/zinc/37/99/27/453379927.db2.gz OQQHDRFSKDDXOL-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653190225 453380809 /nfs/dbraw/zinc/38/08/09/453380809.db2.gz IIXZNIIWICUGMF-JFTQMJAMSA-N 2 1 347.459 1.440 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000662673170 453388340 /nfs/dbraw/zinc/38/83/40/453388340.db2.gz JCKKWXMTQDFQIB-JSGCOSHPSA-N 2 1 337.386 1.001 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC4CC3(C[NH3+])C4)cc2)C[C@@H](C)O1 ZINC000662677290 453395894 /nfs/dbraw/zinc/39/58/94/453395894.db2.gz GAUHDUJJJXUROX-LVGGZARRSA-N 2 1 343.471 1.859 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000662690490 453410641 /nfs/dbraw/zinc/41/06/41/453410641.db2.gz ABKDQXWSTJMUFI-SQNIBIBYSA-N 2 1 331.460 1.379 20 0 EDADMP C[N@@H+]1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)[C@H](Cc2ccccc2)C1 ZINC000653253811 453436102 /nfs/dbraw/zinc/43/61/02/453436102.db2.gz BAVOOKMEQJGYRT-MSOLQXFVSA-N 2 1 327.472 1.761 20 0 EDADMP C[N@H+]1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)[C@H](Cc2ccccc2)C1 ZINC000653253811 453436108 /nfs/dbraw/zinc/43/61/08/453436108.db2.gz BAVOOKMEQJGYRT-MSOLQXFVSA-N 2 1 327.472 1.761 20 0 EDADMP C[N@@H+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@H](Cc2ccccc2)C1 ZINC000653253964 453438083 /nfs/dbraw/zinc/43/80/83/453438083.db2.gz FPRAXQWWDJPWTD-MSOLQXFVSA-N 2 1 331.460 1.140 20 0 EDADMP C[N@H+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@H](Cc2ccccc2)C1 ZINC000653253964 453438089 /nfs/dbraw/zinc/43/80/89/453438089.db2.gz FPRAXQWWDJPWTD-MSOLQXFVSA-N 2 1 331.460 1.140 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2CC)c1 ZINC000667170106 453451360 /nfs/dbraw/zinc/45/13/60/453451360.db2.gz OIZHADXOXTUZAF-INIZCTEOSA-N 2 1 332.448 1.287 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2CC)c1 ZINC000667170106 453451366 /nfs/dbraw/zinc/45/13/66/453451366.db2.gz OIZHADXOXTUZAF-INIZCTEOSA-N 2 1 332.448 1.287 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662736383 453462854 /nfs/dbraw/zinc/46/28/54/453462854.db2.gz SIIJQQJMELQOAE-HOTGVXAUSA-N 2 1 348.495 1.587 20 0 EDADMP CCN1CC[NH+](CCCNC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662757838 453495513 /nfs/dbraw/zinc/49/55/13/453495513.db2.gz OENXOJOIJHUKPL-UHFFFAOYSA-N 2 1 330.476 1.090 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000660705656 453533069 /nfs/dbraw/zinc/53/30/69/453533069.db2.gz IVFDPAXXUNWYGJ-MSOLQXFVSA-N 2 1 346.475 1.281 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000660705656 453533070 /nfs/dbraw/zinc/53/30/70/453533070.db2.gz IVFDPAXXUNWYGJ-MSOLQXFVSA-N 2 1 346.475 1.281 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000660705656 453533072 /nfs/dbraw/zinc/53/30/72/453533072.db2.gz IVFDPAXXUNWYGJ-MSOLQXFVSA-N 2 1 346.475 1.281 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445829 453533612 /nfs/dbraw/zinc/53/36/12/453533612.db2.gz OWOMUGBQXGFVLL-UYAOXDASSA-N 2 1 343.471 1.890 20 0 EDADMP CCC[C@H]1CN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC[N@H+]1CCOC ZINC000662826162 453553848 /nfs/dbraw/zinc/55/38/48/453553848.db2.gz VHYVYAKAULOAGD-IRXDYDNUSA-N 2 1 327.513 1.957 20 0 EDADMP C[NH+]1CCC(O)(CNC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000667329231 453562682 /nfs/dbraw/zinc/56/26/82/453562682.db2.gz CQERTZKILJSZOE-QGZVFWFLSA-N 2 1 346.475 1.017 20 0 EDADMP CN(C(=O)C[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899870 453593751 /nfs/dbraw/zinc/59/37/51/453593751.db2.gz HJMCPVLGCGUXQZ-OALUTQOASA-N 2 1 344.503 1.703 20 0 EDADMP CN(C(=O)C[C@H]([NH3+])c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899870 453593754 /nfs/dbraw/zinc/59/37/54/453593754.db2.gz HJMCPVLGCGUXQZ-OALUTQOASA-N 2 1 344.503 1.703 20 0 EDADMP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000662899448 453593962 /nfs/dbraw/zinc/59/39/62/453593962.db2.gz DCVPKGWIIMWKJW-DNVCBOLYSA-N 2 1 344.503 1.947 20 0 EDADMP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000662899448 453593964 /nfs/dbraw/zinc/59/39/64/453593964.db2.gz DCVPKGWIIMWKJW-DNVCBOLYSA-N 2 1 344.503 1.947 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900993 453595231 /nfs/dbraw/zinc/59/52/31/453595231.db2.gz RAMIRQCNHGRDNM-FUHWJXTLSA-N 2 1 338.540 1.624 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900993 453595234 /nfs/dbraw/zinc/59/52/34/453595234.db2.gz RAMIRQCNHGRDNM-FUHWJXTLSA-N 2 1 338.540 1.624 20 0 EDADMP c1cnc(N2CCCC2)c(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000665236518 453619220 /nfs/dbraw/zinc/61/92/20/453619220.db2.gz OKEUUPHSNGQWNR-RCCFBDPRSA-N 2 1 330.476 1.929 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2C[C@H](N)c3ccccc32)CC1 ZINC000665289326 453637251 /nfs/dbraw/zinc/63/72/51/453637251.db2.gz LKQGXXCNUXGCOD-ROUUACIJSA-N 2 1 330.476 1.711 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000665289326 453637254 /nfs/dbraw/zinc/63/72/54/453637254.db2.gz LKQGXXCNUXGCOD-ROUUACIJSA-N 2 1 330.476 1.711 20 0 EDADMP C[C@]1(NC(=O)c2sc3c(c2Br)C[NH2+]C3)CC[NH2+]C1 ZINC000663014883 453647123 /nfs/dbraw/zinc/64/71/23/453647123.db2.gz ORTUYSYYVJYJTO-LBPRGKRZSA-N 2 1 330.251 1.596 20 0 EDADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000661036117 453689024 /nfs/dbraw/zinc/68/90/24/453689024.db2.gz DZRPKKNFZNOQGR-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000661036117 453689026 /nfs/dbraw/zinc/68/90/26/453689026.db2.gz DZRPKKNFZNOQGR-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000661036117 453689028 /nfs/dbraw/zinc/68/90/28/453689028.db2.gz DZRPKKNFZNOQGR-HZPDHXFCSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000659304322 453707955 /nfs/dbraw/zinc/70/79/55/453707955.db2.gz AOVLTUWVIVQDQI-SFYZADRCSA-N 2 1 344.278 1.923 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000661188869 453751627 /nfs/dbraw/zinc/75/16/27/453751627.db2.gz XDZLVKLNDLPSIO-ZCNNSNEGSA-N 2 1 347.503 1.273 20 0 EDADMP c1cnc(N[C@@H]2CC[N@H+](C3CC3)C2)c(N[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000663424953 453794546 /nfs/dbraw/zinc/79/45/46/453794546.db2.gz KOOLBHHTLLBRPR-ZIAGYGMSSA-N 2 1 328.464 1.774 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000676293752 486723601 /nfs/dbraw/zinc/72/36/01/486723601.db2.gz LTYJXWCOASZFCO-HRCADAONSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000676293752 486723605 /nfs/dbraw/zinc/72/36/05/486723605.db2.gz LTYJXWCOASZFCO-HRCADAONSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000667559957 486846904 /nfs/dbraw/zinc/84/69/04/486846904.db2.gz XIZYEFAINJHPPI-UONOGXRCSA-N 2 1 332.448 1.320 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000431002365 486900709 /nfs/dbraw/zinc/90/07/09/486900709.db2.gz BUTLJLRQMKHZSY-MSOLQXFVSA-N 2 1 330.476 1.178 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000431016603 486902416 /nfs/dbraw/zinc/90/24/16/486902416.db2.gz WBUFRIDPWGKMPP-MOPGFXCFSA-N 2 1 344.503 1.568 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000321944527 487024525 /nfs/dbraw/zinc/02/45/25/487024525.db2.gz VRIKHICVSNXRLE-IRXDYDNUSA-N 2 1 326.529 1.386 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000673992381 487179027 /nfs/dbraw/zinc/17/90/27/487179027.db2.gz FLOSYCSODNZIFC-HOTGVXAUSA-N 2 1 340.512 1.068 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC000673992381 487179029 /nfs/dbraw/zinc/17/90/29/487179029.db2.gz FLOSYCSODNZIFC-HOTGVXAUSA-N 2 1 340.512 1.068 20 0 EDADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000673992381 487179032 /nfs/dbraw/zinc/17/90/32/487179032.db2.gz FLOSYCSODNZIFC-HOTGVXAUSA-N 2 1 340.512 1.068 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675114104 487379407 /nfs/dbraw/zinc/37/94/07/487379407.db2.gz FSADUQOQLUXFFY-RHSMWYFYSA-N 2 1 329.448 1.396 20 0 EDADMP CCN1OC[C@@H]([NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000682677103 487404420 /nfs/dbraw/zinc/40/44/20/487404420.db2.gz PLGJHOCJIIMDLM-GOSISDBHSA-N 2 1 331.460 1.993 20 0 EDADMP CCN1OC[C@@H]([NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000682677103 487404422 /nfs/dbraw/zinc/40/44/22/487404422.db2.gz PLGJHOCJIIMDLM-GOSISDBHSA-N 2 1 331.460 1.993 20 0 EDADMP CC(C)(CO)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000679317680 487413657 /nfs/dbraw/zinc/41/36/57/487413657.db2.gz VWWDJYABCVFREW-INIZCTEOSA-N 2 1 337.508 1.556 20 0 EDADMP CC(C)(CO)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000679317680 487413659 /nfs/dbraw/zinc/41/36/59/487413659.db2.gz VWWDJYABCVFREW-INIZCTEOSA-N 2 1 337.508 1.556 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000683136666 487453376 /nfs/dbraw/zinc/45/33/76/487453376.db2.gz BAMUGJWRLSLRDT-AZUAARDMSA-N 2 1 345.487 1.422 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000683136666 487453378 /nfs/dbraw/zinc/45/33/78/487453378.db2.gz BAMUGJWRLSLRDT-AZUAARDMSA-N 2 1 345.487 1.422 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000683136666 487453379 /nfs/dbraw/zinc/45/33/79/487453379.db2.gz BAMUGJWRLSLRDT-AZUAARDMSA-N 2 1 345.487 1.422 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000119093203 485498010 /nfs/dbraw/zinc/49/80/10/485498010.db2.gz GNYXHHKLFYYUBU-MRXNPFEDSA-N 2 1 331.464 1.706 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000119093203 485498018 /nfs/dbraw/zinc/49/80/18/485498018.db2.gz GNYXHHKLFYYUBU-MRXNPFEDSA-N 2 1 331.464 1.706 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000669538377 485520543 /nfs/dbraw/zinc/52/05/43/485520543.db2.gz OFTOTCIEDIMFDJ-IAOVAPTHSA-N 2 1 334.464 1.267 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000669538377 485520549 /nfs/dbraw/zinc/52/05/49/485520549.db2.gz OFTOTCIEDIMFDJ-IAOVAPTHSA-N 2 1 334.464 1.267 20 0 EDADMP C[C@H](NC(=O)NCC[NH2+]C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000669554896 485554566 /nfs/dbraw/zinc/55/45/66/485554566.db2.gz UOBTVUITLIMNMJ-RDJZCZTQSA-N 2 1 330.476 1.948 20 0 EDADMP Cc1ccc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)c(N2CCCC2)[nH+]1 ZINC000669555618 485556169 /nfs/dbraw/zinc/55/61/69/485556169.db2.gz SIQSSKOJPSLQNO-INIZCTEOSA-N 2 1 347.463 1.249 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c(N2CCCC2)[nH+]1 ZINC000669555784 485556951 /nfs/dbraw/zinc/55/69/51/485556951.db2.gz HDDMASACNAPDCX-RDJZCZTQSA-N 2 1 343.475 1.884 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(N2CCCC2)[nH+]1 ZINC000669555720 485558024 /nfs/dbraw/zinc/55/80/24/485558024.db2.gz BXNLMXYWNNKNJH-BBRMVZONSA-N 2 1 331.464 1.869 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000669306369 485951406 /nfs/dbraw/zinc/95/14/06/485951406.db2.gz QGNXBUYDARHOQU-HOCLYGCPSA-N 2 1 326.485 1.399 20 0 EDADMP C[N@@H+](C[C@@H](O)CN[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000575039293 486070399 /nfs/dbraw/zinc/07/03/99/486070399.db2.gz DPIMPZXLFTVBSN-PMACEKPBSA-N 2 1 346.519 1.020 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000669420303 486139142 /nfs/dbraw/zinc/13/91/42/486139142.db2.gz IPQHHGMATCYARH-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP [NH3+]C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000669420471 486140516 /nfs/dbraw/zinc/14/05/16/486140516.db2.gz MSBZZMUUCDXOFU-QZTJIDSGSA-N 2 1 330.476 1.889 20 0 EDADMP CC(C)CCO[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000083246771 486197352 /nfs/dbraw/zinc/19/73/52/486197352.db2.gz ILFCNFNPCWSGRZ-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)CCO[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000083246771 486197355 /nfs/dbraw/zinc/19/73/55/486197355.db2.gz ILFCNFNPCWSGRZ-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000570581630 486206196 /nfs/dbraw/zinc/20/61/96/486206196.db2.gz LHJSUGHQPIFCAI-QRQLOZEOSA-N 2 1 345.487 1.327 20 0 EDADMP CCNc1nc(N2CCC[C@@H]([NH2+]C(C)C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000672200090 486512500 /nfs/dbraw/zinc/51/25/00/486512500.db2.gz BYWXMKHBHFCXOE-CYBMUJFWSA-N 2 1 335.500 1.903 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)CC[N@H+]1Cc1ccccc1 ZINC000379666812 486636841 /nfs/dbraw/zinc/63/68/41/486636841.db2.gz XQVSIWXMWABAGT-GDBMZVCRSA-N 2 1 342.447 1.020 20 0 EDADMP C[C@H]1C[C@H](NC(=O)CN2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000137468473 491233342 /nfs/dbraw/zinc/23/33/42/491233342.db2.gz FRVFWGSNYKNDAM-WMZOPIPTSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@H]1C[C@H](NC(=O)CN2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000137468473 491233348 /nfs/dbraw/zinc/23/33/48/491233348.db2.gz FRVFWGSNYKNDAM-WMZOPIPTSA-N 2 1 330.476 1.013 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000305056052 491007167 /nfs/dbraw/zinc/00/71/67/491007167.db2.gz FBRWJFISCOQMHD-FQEVSTJZSA-N 2 1 340.471 1.697 20 0 EDADMP CN(CCC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1cc[nH+]cc1 ZINC000679409303 491011406 /nfs/dbraw/zinc/01/14/06/491011406.db2.gz YQQJJSJJHWFQFE-GOSISDBHSA-N 2 1 345.491 1.146 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000683377299 491012781 /nfs/dbraw/zinc/01/27/81/491012781.db2.gz ZKSXXBALSSKWQF-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@@H](O)C1CC1 ZINC000079770321 491168715 /nfs/dbraw/zinc/16/87/15/491168715.db2.gz CCJDUBSGMKOTAY-LJQANCHMSA-N 2 1 345.487 1.601 20 0 EDADMP COC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000080000322 491170157 /nfs/dbraw/zinc/17/01/57/491170157.db2.gz XJUPZDCDQXNEEJ-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP COC1CC[NH+](CCNC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000080099229 491170564 /nfs/dbraw/zinc/17/05/64/491170564.db2.gz YDJYBCTVLUSBIL-HZPDHXFCSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000186813742 534092562 /nfs/dbraw/zinc/09/25/62/534092562.db2.gz YMRNBTQUGIWLKA-KBAYOESNSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000186813742 534092571 /nfs/dbraw/zinc/09/25/71/534092571.db2.gz YMRNBTQUGIWLKA-KBAYOESNSA-N 2 1 331.460 1.392 20 0 EDADMP CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000332611260 535467858 /nfs/dbraw/zinc/46/78/58/535467858.db2.gz PBWKWUSAKJGYAJ-GASCZTMLSA-N 2 1 326.485 1.269 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000262453221 535518421 /nfs/dbraw/zinc/51/84/21/535518421.db2.gz ZXOKDOJTUHSAFF-LUKYLMHMSA-N 2 1 325.497 1.628 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000340044690 535561352 /nfs/dbraw/zinc/56/13/52/535561352.db2.gz MOHSZCYWMWVEIV-OAHLLOKOSA-N 2 1 328.482 1.328 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000262775740 535692768 /nfs/dbraw/zinc/69/27/68/535692768.db2.gz BQCPSWKZEOJWLW-IBGZPJMESA-N 2 1 332.492 1.394 20 0 EDADMP CC[N@@H+](CCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C1CC1 ZINC000347689109 535734697 /nfs/dbraw/zinc/73/46/97/535734697.db2.gz RNRGEPVDOKWWPR-UHFFFAOYSA-N 2 1 331.464 1.048 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CCC[NH2+]C3)cc2F)CC1 ZINC000236996503 535744318 /nfs/dbraw/zinc/74/43/18/535744318.db2.gz HYJORGDLKZSYOT-HNNXBMFYSA-N 2 1 348.466 1.697 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262658794 535833032 /nfs/dbraw/zinc/83/30/32/535833032.db2.gz WGSNITDMPGQGLO-YDZRNGNQSA-N 2 1 345.487 1.910 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262658794 535833040 /nfs/dbraw/zinc/83/30/40/535833040.db2.gz WGSNITDMPGQGLO-YDZRNGNQSA-N 2 1 345.487 1.910 20 0 EDADMP C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[NH+](C)CC2)cc1 ZINC000264257927 535839589 /nfs/dbraw/zinc/83/95/89/535839589.db2.gz ZZJZMZQAYPIRKO-UHFFFAOYSA-N 2 1 334.464 1.474 20 0 EDADMP CCc1nocc1C[NH2+]C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339359673 535907135 /nfs/dbraw/zinc/90/71/35/535907135.db2.gz KSNFODZEFYTSEP-KGLIPLIRSA-N 2 1 348.426 1.800 20 0 EDADMP CC[C@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@H]1[NH+]1CCOCC1 ZINC000333318348 536124897 /nfs/dbraw/zinc/12/48/97/536124897.db2.gz MQADXPRFUJRADN-KBXCAEBGSA-N 2 1 344.459 1.864 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132846516 536370851 /nfs/dbraw/zinc/37/08/51/536370851.db2.gz CREBPMGQKUBDKF-SFHVURJKSA-N 2 1 331.460 1.442 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132846516 536370853 /nfs/dbraw/zinc/37/08/53/536370853.db2.gz CREBPMGQKUBDKF-SFHVURJKSA-N 2 1 331.460 1.442 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)CC[C@@H]21 ZINC000262188601 536379527 /nfs/dbraw/zinc/37/95/27/536379527.db2.gz JLLIYDSIEQVIEA-LJHODMEESA-N 2 1 340.471 1.980 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262910556 536403191 /nfs/dbraw/zinc/40/31/91/536403191.db2.gz YKSXRBZUYZXUBC-JKSUJKDBSA-N 2 1 333.480 1.754 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cn2)CC1 ZINC000247053587 536425798 /nfs/dbraw/zinc/42/57/98/536425798.db2.gz VDLZKZXMLGKWKU-ZWKOTPCHSA-N 2 1 344.507 1.145 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cn2)CC1 ZINC000247053587 536425801 /nfs/dbraw/zinc/42/58/01/536425801.db2.gz VDLZKZXMLGKWKU-ZWKOTPCHSA-N 2 1 344.507 1.145 20 0 EDADMP COc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1OC(C)C ZINC000347227824 536750243 /nfs/dbraw/zinc/75/02/43/536750243.db2.gz WLXMHTMIOSBQNN-MRXNPFEDSA-N 2 1 349.475 1.769 20 0 EDADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000742780642 579462329 /nfs/dbraw/zinc/46/23/29/579462329.db2.gz MUYFGZAGGBYESI-SJORKVTESA-N 2 1 327.513 1.802 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000742780642 579462331 /nfs/dbraw/zinc/46/23/31/579462331.db2.gz MUYFGZAGGBYESI-SJORKVTESA-N 2 1 327.513 1.802 20 0 EDADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000742780642 579462332 /nfs/dbraw/zinc/46/23/32/579462332.db2.gz MUYFGZAGGBYESI-SJORKVTESA-N 2 1 327.513 1.802 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000726070607 578331891 /nfs/dbraw/zinc/33/18/91/578331891.db2.gz CXEMVTHYADLWBF-GJZGRUSLSA-N 2 1 327.469 1.290 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000726070607 578331893 /nfs/dbraw/zinc/33/18/93/578331893.db2.gz CXEMVTHYADLWBF-GJZGRUSLSA-N 2 1 327.469 1.290 20 0 EDADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000732677807 578723063 /nfs/dbraw/zinc/72/30/63/578723063.db2.gz ZCQYUULSNQSYII-VQHPVUNQSA-N 2 1 336.480 1.118 20 0 EDADMP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000732677807 578723064 /nfs/dbraw/zinc/72/30/64/578723064.db2.gz ZCQYUULSNQSYII-VQHPVUNQSA-N 2 1 336.480 1.118 20 0 EDADMP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000732677807 578723065 /nfs/dbraw/zinc/72/30/65/578723065.db2.gz ZCQYUULSNQSYII-VQHPVUNQSA-N 2 1 336.480 1.118 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C(C)C ZINC000734277139 578804506 /nfs/dbraw/zinc/80/45/06/578804506.db2.gz YPAXGWQOPLWQJO-MRXNPFEDSA-N 2 1 339.528 1.184 20 0 EDADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)C ZINC000734277139 578804507 /nfs/dbraw/zinc/80/45/07/578804507.db2.gz YPAXGWQOPLWQJO-MRXNPFEDSA-N 2 1 339.528 1.184 20 0 EDADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)C ZINC000734277139 578804508 /nfs/dbraw/zinc/80/45/08/578804508.db2.gz YPAXGWQOPLWQJO-MRXNPFEDSA-N 2 1 339.528 1.184 20 0 EDADMP CC[N@H+](CCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000734277139 578804509 /nfs/dbraw/zinc/80/45/09/578804509.db2.gz YPAXGWQOPLWQJO-MRXNPFEDSA-N 2 1 339.528 1.184 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000734277139 578804510 /nfs/dbraw/zinc/80/45/10/578804510.db2.gz YPAXGWQOPLWQJO-MRXNPFEDSA-N 2 1 339.528 1.184 20 0 EDADMP C[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000736855869 579026957 /nfs/dbraw/zinc/02/69/57/579026957.db2.gz IIEOKWINRZMGKI-AWEZNQCLSA-N 2 1 330.436 1.519 20 0 EDADMP C[NH+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000736855869 579026958 /nfs/dbraw/zinc/02/69/58/579026958.db2.gz IIEOKWINRZMGKI-AWEZNQCLSA-N 2 1 330.436 1.519 20 0 EDADMP C[NH+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000736855869 579026959 /nfs/dbraw/zinc/02/69/59/579026959.db2.gz IIEOKWINRZMGKI-AWEZNQCLSA-N 2 1 330.436 1.519 20 0 EDADMP COc1ccc(C2([NH2+]C[C@@H](O)C[NH+]3CCCC3)CCOCC2)cc1 ZINC000749291937 579720616 /nfs/dbraw/zinc/72/06/16/579720616.db2.gz OVIRFKGVMJTQHN-QGZVFWFLSA-N 2 1 334.460 1.747 20 0 EDADMP CC(C)[C@@]1(C)NC(=O)N(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000755782104 579934930 /nfs/dbraw/zinc/93/49/30/579934930.db2.gz YBVPKUXELJQXKD-CRAIPNDOSA-N 2 1 336.480 1.574 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763675750 580103951 /nfs/dbraw/zinc/10/39/51/580103951.db2.gz OFHDFCRWXQPAHI-IXDOHACOSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763675750 580103952 /nfs/dbraw/zinc/10/39/52/580103952.db2.gz OFHDFCRWXQPAHI-IXDOHACOSA-N 2 1 335.492 1.573 20 0 EDADMP COc1cccc(OCC[NH+]2CCN(c3cc(C)[nH+]c(N)n3)CC2)c1 ZINC000765574229 580145857 /nfs/dbraw/zinc/14/58/57/580145857.db2.gz IOSLANCYKFNGCA-UHFFFAOYSA-N 2 1 343.431 1.577 20 0 EDADMP O=CN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000774197796 580356572 /nfs/dbraw/zinc/35/65/72/580356572.db2.gz KSHWWBHLOOBWOK-PKOBYXMFSA-N 2 1 331.460 1.080 20 0 EDADMP O=CN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000774197796 580356573 /nfs/dbraw/zinc/35/65/73/580356573.db2.gz KSHWWBHLOOBWOK-PKOBYXMFSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000775379053 580389715 /nfs/dbraw/zinc/38/97/15/580389715.db2.gz DFCUHGNEAMICIJ-NFAWXSAZSA-N 2 1 329.535 1.120 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N2CCc3ccccc32)C1 ZINC000779654175 580493437 /nfs/dbraw/zinc/49/34/37/580493437.db2.gz YXRBSHDLRKQYSD-MRXNPFEDSA-N 2 1 346.431 1.183 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N2CCc3ccccc32)C1 ZINC000779654175 580493438 /nfs/dbraw/zinc/49/34/38/580493438.db2.gz YXRBSHDLRKQYSD-MRXNPFEDSA-N 2 1 346.431 1.183 20 0 EDADMP C[C@@H]1C[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@H]2CCCC[C@H]12 ZINC000782275906 580570612 /nfs/dbraw/zinc/57/06/12/580570612.db2.gz LTWNZFHUHRRPHJ-KFWWJZLASA-N 2 1 334.464 1.471 20 0 EDADMP O=C(C[N@H+]1C[C@H]2C[C@@]2(CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000782617684 580580637 /nfs/dbraw/zinc/58/06/37/580580637.db2.gz MKACUHNRNCWQHQ-QUCCMNQESA-N 2 1 343.471 1.213 20 0 EDADMP O=C(C[N@@H+]1C[C@H]2C[C@@]2(CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000782617684 580580638 /nfs/dbraw/zinc/58/06/38/580580638.db2.gz MKACUHNRNCWQHQ-QUCCMNQESA-N 2 1 343.471 1.213 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000782911346 580587972 /nfs/dbraw/zinc/58/79/72/580587972.db2.gz YGEJTAWQPAJJBX-IYBDPMFKSA-N 2 1 341.455 1.994 20 0 EDADMP c1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000738412128 598866843 /nfs/dbraw/zinc/86/68/43/598866843.db2.gz HVPVPDVVHQWDMA-OAHLLOKOSA-N 2 1 342.447 1.663 20 0 EDADMP c1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000738412128 598866845 /nfs/dbraw/zinc/86/68/45/598866845.db2.gz HVPVPDVVHQWDMA-OAHLLOKOSA-N 2 1 342.447 1.663 20 0 EDADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000893048629 590635580 /nfs/dbraw/zinc/63/55/80/590635580.db2.gz SQRMCGAZRABSEW-WOJBJXKFSA-N 3 1 331.504 1.801 20 0 EDADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000893048629 590635582 /nfs/dbraw/zinc/63/55/82/590635582.db2.gz SQRMCGAZRABSEW-WOJBJXKFSA-N 3 1 331.504 1.801 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC2(C[NH3+])CCCCC2)CCCO1 ZINC000891856006 590657031 /nfs/dbraw/zinc/65/70/31/590657031.db2.gz NPDQDYSDQVAQNY-HNNXBMFYSA-N 2 1 326.485 1.448 20 0 EDADMP CCN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000891865881 590662167 /nfs/dbraw/zinc/66/21/67/590662167.db2.gz XFGHUOCWJHOWJV-QZTJIDSGSA-N 2 1 330.476 1.902 20 0 EDADMP CC(C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000891877569 590666424 /nfs/dbraw/zinc/66/64/24/590666424.db2.gz LXWRZUNLPOFRAJ-KSZLIROESA-N 2 1 336.524 1.946 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891910987 590682012 /nfs/dbraw/zinc/68/20/12/590682012.db2.gz XEBSNQUQYQXPAE-YNEHKIRRSA-N 2 1 338.418 1.885 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000892052639 590773202 /nfs/dbraw/zinc/77/32/02/590773202.db2.gz DPLDQFBINJLMGL-DOTOQJQBSA-N 2 1 330.476 1.935 20 0 EDADMP COCCCC1(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCC1 ZINC000892176467 590846396 /nfs/dbraw/zinc/84/63/96/590846396.db2.gz VIYPWENCQIIGIS-KRWDZBQOSA-N 2 1 337.508 1.822 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000892283487 590913427 /nfs/dbraw/zinc/91/34/27/590913427.db2.gz PQCROXYEPXWXOL-QGZVFWFLSA-N 2 1 334.464 1.105 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2cccc3c2CC[NH2+]C3)CC[N@H+]1C ZINC000892343935 590972135 /nfs/dbraw/zinc/97/21/35/590972135.db2.gz XJACEELBZKELBE-RHSMWYFYSA-N 2 1 330.476 1.956 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000892414719 591018565 /nfs/dbraw/zinc/01/85/65/591018565.db2.gz PSHBFIWAKZZGRX-SJORKVTESA-N 2 1 348.491 1.091 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000891362287 591060512 /nfs/dbraw/zinc/06/05/12/591060512.db2.gz ZGPQFJZNADZSAS-GDBMZVCRSA-N 2 1 349.454 1.079 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N(C)CCC[NH3+])C1 ZINC000892537169 591064693 /nfs/dbraw/zinc/06/46/93/591064693.db2.gz ZABGAIACCHXXNS-QGZVFWFLSA-N 2 1 334.464 1.186 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N(C)CCC[NH3+])C1 ZINC000892537169 591064699 /nfs/dbraw/zinc/06/46/99/591064699.db2.gz ZABGAIACCHXXNS-QGZVFWFLSA-N 2 1 334.464 1.186 20 0 EDADMP CC(=O)OC[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000892553177 591069914 /nfs/dbraw/zinc/06/99/14/591069914.db2.gz JUHUWRTTZPRIFL-LPHOPBHVSA-N 2 1 333.476 1.906 20 0 EDADMP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000892566465 591075071 /nfs/dbraw/zinc/07/50/71/591075071.db2.gz QODFRPJVUMYZOX-IYARVYRRSA-N 2 1 330.476 1.814 20 0 EDADMP C[NH+]1CC[C@@H](NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)[C@@H]1c1ccccc1 ZINC000893873941 591124517 /nfs/dbraw/zinc/12/45/17/591124517.db2.gz DUDGFTNCEKUTML-MHORFTMASA-N 2 1 328.460 1.777 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCCC[C@H]2C[NH3+])[C@@H](C)C1 ZINC000891565647 591127866 /nfs/dbraw/zinc/12/78/66/591127866.db2.gz QUTNLHQLTRDALE-YESZJQIVSA-N 2 1 340.512 1.646 20 0 EDADMP C[C@@H](CNC(=O)NCc1cccc2c1CC[NH2+]C2)C[NH+]1CCOCC1 ZINC000891584598 591136171 /nfs/dbraw/zinc/13/61/71/591136171.db2.gz SLDJRPATKKPHPL-HNNXBMFYSA-N 2 1 346.475 1.100 20 0 EDADMP C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000891590954 591138258 /nfs/dbraw/zinc/13/82/58/591138258.db2.gz GFKJPHLUONGIDZ-LAVFITLUSA-N 2 1 344.459 1.032 20 0 EDADMP C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000891590954 591138262 /nfs/dbraw/zinc/13/82/62/591138262.db2.gz GFKJPHLUONGIDZ-LAVFITLUSA-N 2 1 344.459 1.032 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000891590885 591138323 /nfs/dbraw/zinc/13/83/23/591138323.db2.gz FCCFTIZQWMIRNC-DDBAPUKQSA-N 2 1 346.475 1.312 20 0 EDADMP C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000891590885 591138326 /nfs/dbraw/zinc/13/83/26/591138326.db2.gz FCCFTIZQWMIRNC-DDBAPUKQSA-N 2 1 346.475 1.312 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H]1c1cccs1 ZINC000891597408 591142567 /nfs/dbraw/zinc/14/25/67/591142567.db2.gz OSLKJMUFBRZLFA-ORIJERBGSA-N 2 1 334.489 1.887 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cn1 ZINC000892764672 591165905 /nfs/dbraw/zinc/16/59/05/591165905.db2.gz WDJYHFGOXQDNNN-YQVWRLOYSA-N 2 1 345.491 1.056 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000891655490 591170937 /nfs/dbraw/zinc/17/09/37/591170937.db2.gz MSNFQGLSNKYEGA-RANZSIQMSA-N 2 1 328.460 1.795 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C[N@H+]1C1CC1 ZINC000891658961 591172342 /nfs/dbraw/zinc/17/23/42/591172342.db2.gz BXRYEWCSQDWTFA-HNCHTBHHSA-N 2 1 334.386 1.390 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)C[C@@H](C)O1 ZINC000891727253 591200673 /nfs/dbraw/zinc/20/06/73/591200673.db2.gz FPYVAIGSWFYPCX-VQHPVUNQSA-N 2 1 338.496 1.364 20 0 EDADMP COC(=O)c1cnc(C[NH2+]CCCC[NH+]2CCN(C)CC2)s1 ZINC000894174560 591217214 /nfs/dbraw/zinc/21/72/14/591217214.db2.gz VGCBQIQYUKGABI-UHFFFAOYSA-N 2 1 326.466 1.047 20 0 EDADMP CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000892943108 591232552 /nfs/dbraw/zinc/23/25/52/591232552.db2.gz DHWIUIMOSJQIPX-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H](Cc1cccnc1)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000895666103 591246832 /nfs/dbraw/zinc/24/68/32/591246832.db2.gz KFTPMRMIPNUDNA-HOTGVXAUSA-N 2 1 335.496 1.584 20 0 EDADMP C[C@@H](Cc1cccnc1)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000895666103 591246834 /nfs/dbraw/zinc/24/68/34/591246834.db2.gz KFTPMRMIPNUDNA-HOTGVXAUSA-N 2 1 335.496 1.584 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)NC[C@@H]3CCC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000892999118 591250579 /nfs/dbraw/zinc/25/05/79/591250579.db2.gz AQDGEAALYSSBMJ-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000892999118 591250580 /nfs/dbraw/zinc/25/05/80/591250580.db2.gz AQDGEAALYSSBMJ-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000892999118 591250582 /nfs/dbraw/zinc/25/05/82/591250582.db2.gz AQDGEAALYSSBMJ-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895692385 591250642 /nfs/dbraw/zinc/25/06/42/591250642.db2.gz QPIPFKJCIMWLRY-SJORKVTESA-N 2 1 344.471 1.910 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1cc(NC[C@@H]2CC[N@@H+]2C)nc2cnccc21 ZINC000895768496 591268992 /nfs/dbraw/zinc/26/89/92/591268992.db2.gz CZKZNVDSHBZORG-KGLIPLIRSA-N 2 1 326.448 1.862 20 0 EDADMP C[NH+]1CC[C@H]1CNc1cc(NC[C@H]2CC[N@@H+]2C)c2ccncc2n1 ZINC000895768496 591268993 /nfs/dbraw/zinc/26/89/93/591268993.db2.gz CZKZNVDSHBZORG-KGLIPLIRSA-N 2 1 326.448 1.862 20 0 EDADMP C[NH+]1CC[C@H]1CNc1cc(NC[C@H]2CC[N@H+]2C)c2ccncc2n1 ZINC000895768496 591268994 /nfs/dbraw/zinc/26/89/94/591268994.db2.gz CZKZNVDSHBZORG-KGLIPLIRSA-N 2 1 326.448 1.862 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)C[C@]2(C)C1 ZINC000895898842 591299221 /nfs/dbraw/zinc/29/92/21/591299221.db2.gz AFDWKRSZYRGJTF-HBFSDRIKSA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)C[C@]2(C)C1 ZINC000895898842 591299223 /nfs/dbraw/zinc/29/92/23/591299223.db2.gz AFDWKRSZYRGJTF-HBFSDRIKSA-N 2 1 342.487 1.854 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000896258373 591400205 /nfs/dbraw/zinc/40/02/05/591400205.db2.gz LNXLCPXAYUEPGP-OAHLLOKOSA-N 2 1 325.497 1.865 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896258373 591400208 /nfs/dbraw/zinc/40/02/08/591400208.db2.gz LNXLCPXAYUEPGP-OAHLLOKOSA-N 2 1 325.497 1.865 20 0 EDADMP C[C@H]1CN(CCNC(=O)NCC[N@H+]2CCC(C)(C)C2)[C@@H](C)CO1 ZINC000898588509 591418682 /nfs/dbraw/zinc/41/86/82/591418682.db2.gz KNUGJCGAOKHGJT-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C3C[C@H]4CC[C@@H](C3)S4)C2)CC1 ZINC000896326079 591420198 /nfs/dbraw/zinc/42/01/98/591420198.db2.gz XBDRMAOZMWJWNJ-AZZBFNOKSA-N 2 1 337.533 1.945 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C3C[C@H]4CC[C@@H](C3)S4)C2)CC1 ZINC000896326079 591420202 /nfs/dbraw/zinc/42/02/02/591420202.db2.gz XBDRMAOZMWJWNJ-AZZBFNOKSA-N 2 1 337.533 1.945 20 0 EDADMP CN(C)Cc1csc(CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)n1 ZINC000896595438 591546045 /nfs/dbraw/zinc/54/60/45/591546045.db2.gz RUIBAEFJILFOKC-ZDUSSCGKSA-N 2 1 339.509 1.736 20 0 EDADMP C[N@@H+]1C[C@@H](CNC(=O)N2CC[NH+](C3CC3)CC2)[C@H](c2ccccc2)C1 ZINC000897574665 591561345 /nfs/dbraw/zinc/56/13/45/591561345.db2.gz IULUVTXFZHMLOM-MJGOQNOKSA-N 2 1 342.487 1.821 20 0 EDADMP C[N@H+]1C[C@@H](CNC(=O)N2CC[NH+](C3CC3)CC2)[C@H](c2ccccc2)C1 ZINC000897574665 591561348 /nfs/dbraw/zinc/56/13/48/591561348.db2.gz IULUVTXFZHMLOM-MJGOQNOKSA-N 2 1 342.487 1.821 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000899147789 591708259 /nfs/dbraw/zinc/70/82/59/591708259.db2.gz BBKGKWMEKZJIFM-IRXDYDNUSA-N 2 1 346.475 1.271 20 0 EDADMP CC(C)(C)N1CC[C@H]1C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000899147789 591708261 /nfs/dbraw/zinc/70/82/61/591708261.db2.gz BBKGKWMEKZJIFM-IRXDYDNUSA-N 2 1 346.475 1.271 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000899154340 591710188 /nfs/dbraw/zinc/71/01/88/591710188.db2.gz SWIZFIMIVYJFJO-INIZCTEOSA-N 2 1 325.497 1.676 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)CC(C)(C)C ZINC000899201359 591727629 /nfs/dbraw/zinc/72/76/29/591727629.db2.gz UASMFNGMFBLPPO-MRXNPFEDSA-N 2 1 325.497 1.724 20 0 EDADMP CN(C)Cc1csc(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)n1 ZINC000897946580 591732852 /nfs/dbraw/zinc/73/28/52/591732852.db2.gz UMYRSTJYYJOGTP-ZDUSSCGKSA-N 2 1 334.449 1.947 20 0 EDADMP Cn1nnnc1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000898036799 591764453 /nfs/dbraw/zinc/76/44/53/591764453.db2.gz JVIDUVSNHYFHQC-KRWDZBQOSA-N 2 1 340.475 1.930 20 0 EDADMP Cn1nnnc1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000898036799 591764455 /nfs/dbraw/zinc/76/44/55/591764455.db2.gz JVIDUVSNHYFHQC-KRWDZBQOSA-N 2 1 340.475 1.930 20 0 EDADMP Cn1nnnc1CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000898039647 591765559 /nfs/dbraw/zinc/76/55/59/591765559.db2.gz BNJOORUVKNGCQE-UHFFFAOYSA-N 2 1 328.464 1.439 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000895463709 591766742 /nfs/dbraw/zinc/76/67/42/591766742.db2.gz BAMFASIJGOAGTP-ZWKOTPCHSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604920 591816485 /nfs/dbraw/zinc/81/64/85/591816485.db2.gz GKVWIYQBGPMDFA-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604920 591816487 /nfs/dbraw/zinc/81/64/87/591816487.db2.gz GKVWIYQBGPMDFA-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CCC[NH+](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604920 591816489 /nfs/dbraw/zinc/81/64/89/591816489.db2.gz GKVWIYQBGPMDFA-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CCC[NH+](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895604920 591816492 /nfs/dbraw/zinc/81/64/92/591816492.db2.gz GKVWIYQBGPMDFA-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP C[NH+]1CCCC12CCN(C(=O)c1cc([C@@H]3CCC[N@H+]3C)[nH]n1)CC2 ZINC000897299975 591821977 /nfs/dbraw/zinc/82/19/77/591821977.db2.gz UFVNVCBXTMUVQE-INIZCTEOSA-N 2 1 331.464 1.877 20 0 EDADMP C[NH+]1CCCC12CCN(C(=O)c1cc([C@@H]3CCC[N@@H+]3C)[nH]n1)CC2 ZINC000897299975 591821978 /nfs/dbraw/zinc/82/19/78/591821978.db2.gz UFVNVCBXTMUVQE-INIZCTEOSA-N 2 1 331.464 1.877 20 0 EDADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)n[nH]1 ZINC000897299975 591821981 /nfs/dbraw/zinc/82/19/81/591821981.db2.gz UFVNVCBXTMUVQE-INIZCTEOSA-N 2 1 331.464 1.877 20 0 EDADMP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)n[nH]1 ZINC000897299975 591821983 /nfs/dbraw/zinc/82/19/83/591821983.db2.gz UFVNVCBXTMUVQE-INIZCTEOSA-N 2 1 331.464 1.877 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cn1 ZINC000900224412 591954660 /nfs/dbraw/zinc/95/46/60/591954660.db2.gz BFNFMBDPLYHMEB-QGZVFWFLSA-N 2 1 329.404 1.361 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cn1 ZINC000900224412 591954663 /nfs/dbraw/zinc/95/46/63/591954663.db2.gz BFNFMBDPLYHMEB-QGZVFWFLSA-N 2 1 329.404 1.361 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000900273223 591976019 /nfs/dbraw/zinc/97/60/19/591976019.db2.gz VCJYXERRVNRZBG-GOSISDBHSA-N 2 1 338.540 1.641 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1([NH3+])CC1 ZINC000902325826 591979490 /nfs/dbraw/zinc/97/94/90/591979490.db2.gz AGBQKSWYFWGPTG-CQSZACIVSA-N 2 1 337.489 1.831 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900299783 591979897 /nfs/dbraw/zinc/97/98/97/591979897.db2.gz JWCDWFJJVSGMJE-IEBWSBKVSA-N 2 1 333.476 1.122 20 0 EDADMP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902334581 591980799 /nfs/dbraw/zinc/98/07/99/591980799.db2.gz HDXGSWBQVCPOCB-HNNXBMFYSA-N 2 1 339.505 1.805 20 0 EDADMP O=c1ccn(CCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(=O)[nH]1 ZINC000902522099 592010407 /nfs/dbraw/zinc/01/04/07/592010407.db2.gz WFWGBKFKHFNSRM-HOTGVXAUSA-N 2 1 328.416 1.422 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC(C)(C)[C@@H]3CCC[C@@H]31)C2=O ZINC000902673974 592041002 /nfs/dbraw/zinc/04/10/02/592041002.db2.gz MGFSGEKFZHPQMK-KGLIPLIRSA-N 2 1 334.464 1.471 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC000900565415 592054034 /nfs/dbraw/zinc/05/40/34/592054034.db2.gz IMQVXEVQGKTMKG-SFHVURJKSA-N 2 1 327.472 1.763 20 0 EDADMP [NH2+]=C(NOCc1ncnn1-c1ccccc1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902806380 592062946 /nfs/dbraw/zinc/06/29/46/592062946.db2.gz RNLSSRCPIKUZOQ-LSDHHAIUSA-N 2 1 342.403 1.129 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N(CC[NH+](C)C)C2CCCC2)CC1 ZINC000900684754 592093593 /nfs/dbraw/zinc/09/35/93/592093593.db2.gz FYDKOMVXRNBFAD-UHFFFAOYSA-N 2 1 338.540 1.735 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000900708283 592100703 /nfs/dbraw/zinc/10/07/03/592100703.db2.gz IDQDGNZOEMABPK-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900760284 592109323 /nfs/dbraw/zinc/10/93/23/592109323.db2.gz TZGLWNBGAULZGY-RYQLBKOJSA-N 2 1 335.492 1.620 20 0 EDADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900760283 592109449 /nfs/dbraw/zinc/10/94/49/592109449.db2.gz TZGLWNBGAULZGY-JQHSSLGASA-N 2 1 335.492 1.620 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000900730241 592110830 /nfs/dbraw/zinc/11/08/30/592110830.db2.gz DAMSJKBUUTWSKV-SFHVURJKSA-N 2 1 338.540 1.783 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900788093 592123712 /nfs/dbraw/zinc/12/37/12/592123712.db2.gz UMTOGIUNLOKRKC-SFHVURJKSA-N 2 1 338.540 1.591 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@@H]([NH+](CC)CC)C2)C1 ZINC000900887399 592157500 /nfs/dbraw/zinc/15/75/00/592157500.db2.gz UBPWEUZMWIRVKQ-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@@H]([NH+](CC)CC)C2)C1 ZINC000900887399 592157502 /nfs/dbraw/zinc/15/75/02/592157502.db2.gz UBPWEUZMWIRVKQ-HZPDHXFCSA-N 2 1 339.480 1.204 20 0 EDADMP c1cc(CC[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)sn1 ZINC000903464233 592172471 /nfs/dbraw/zinc/17/24/71/592172471.db2.gz DZTKPXONPKANRM-AWEZNQCLSA-N 2 1 346.504 1.698 20 0 EDADMP O=C1[C@@H](N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCN1C1CCC1 ZINC000903505490 592181692 /nfs/dbraw/zinc/18/16/92/592181692.db2.gz DGDPGIGPMWTACI-KSZLIROESA-N 2 1 332.492 1.040 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)Nc1ccc(C)cc1C)C2 ZINC000903491045 592184671 /nfs/dbraw/zinc/18/46/71/592184671.db2.gz SIGASHIASIVPHK-KHYOSLBOSA-N 2 1 345.443 1.454 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1nc(-c3ccccc3)no1)C2 ZINC000903491798 592184943 /nfs/dbraw/zinc/18/49/43/592184943.db2.gz BABUEDLZTVPRFT-IYOUNJFTSA-N 2 1 342.399 1.449 20 0 EDADMP C[C@@H]1CCCCN1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511147 592191032 /nfs/dbraw/zinc/19/10/32/592191032.db2.gz QKTJDZZHZQYESE-NXHRZFHOSA-N 2 1 334.508 1.288 20 0 EDADMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000901024600 592202488 /nfs/dbraw/zinc/20/24/88/592202488.db2.gz YOPZMYUIJVJPSV-FCCDEINASA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000901024255 592202552 /nfs/dbraw/zinc/20/25/52/592202552.db2.gz XMDQKUIQDQGUEJ-ZWKOTPCHSA-N 2 1 338.540 1.638 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000901024255 592202554 /nfs/dbraw/zinc/20/25/54/592202554.db2.gz XMDQKUIQDQGUEJ-ZWKOTPCHSA-N 2 1 338.540 1.638 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000901024255 592202555 /nfs/dbraw/zinc/20/25/55/592202555.db2.gz XMDQKUIQDQGUEJ-ZWKOTPCHSA-N 2 1 338.540 1.638 20 0 EDADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000901078981 592226280 /nfs/dbraw/zinc/22/62/80/592226280.db2.gz SWDQTVOEWQRNRS-SQNIBIBYSA-N 2 1 335.492 1.717 20 0 EDADMP [NH3+]CCN1CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000904361977 592238536 /nfs/dbraw/zinc/23/85/36/592238536.db2.gz DSILTPVCGLCPRR-UHFFFAOYSA-N 3 1 332.492 1.032 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906658115 592240220 /nfs/dbraw/zinc/24/02/20/592240220.db2.gz VMUHPFOEJQNTOL-OAHLLOKOSA-N 2 1 332.448 1.417 20 0 EDADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906664592 592246800 /nfs/dbraw/zinc/24/68/00/592246800.db2.gz MFGDCUISEGFXES-XJKSGUPXSA-N 2 1 344.459 1.514 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)cc2)C1 ZINC000906697684 592270740 /nfs/dbraw/zinc/27/07/40/592270740.db2.gz PLMYQZYCUUGWKY-CQSZACIVSA-N 2 1 344.459 1.465 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000901173241 592275940 /nfs/dbraw/zinc/27/59/40/592275940.db2.gz GLUXXVYCFJUOTR-UHFFFAOYSA-N 2 1 338.540 1.639 20 0 EDADMP COc1ccc(OC)c2c1C[N@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C[C@H]2O ZINC000903717418 592280712 /nfs/dbraw/zinc/28/07/12/592280712.db2.gz ADCPRSWVCMNVDH-ZBQZNYHESA-N 2 1 348.443 1.321 20 0 EDADMP COc1ccc(OC)c2c1C[N@@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C[C@H]2O ZINC000903717418 592280713 /nfs/dbraw/zinc/28/07/13/592280713.db2.gz ADCPRSWVCMNVDH-ZBQZNYHESA-N 2 1 348.443 1.321 20 0 EDADMP c1ccc(CN2CCC[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903733244 592281502 /nfs/dbraw/zinc/28/15/02/592281502.db2.gz LIOMNSJMYSLXLC-WOJBJXKFSA-N 2 1 329.488 1.963 20 0 EDADMP c1ccc(C[N@H+]2CCCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903733244 592281504 /nfs/dbraw/zinc/28/15/04/592281504.db2.gz LIOMNSJMYSLXLC-WOJBJXKFSA-N 2 1 329.488 1.963 20 0 EDADMP c1ccc(C[N@@H+]2CCCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903733244 592281506 /nfs/dbraw/zinc/28/15/06/592281506.db2.gz LIOMNSJMYSLXLC-WOJBJXKFSA-N 2 1 329.488 1.963 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000908036958 592283571 /nfs/dbraw/zinc/28/35/71/592283571.db2.gz RTBLWRVMUHJQLE-MSOLQXFVSA-N 2 1 337.508 1.679 20 0 EDADMP O=C1C[C@H](c2ccccc2)[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903723326 592284182 /nfs/dbraw/zinc/28/41/82/592284182.db2.gz VGOJZQQKTTYQBA-YQVWRLOYSA-N 2 1 329.444 1.318 20 0 EDADMP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730779 592286960 /nfs/dbraw/zinc/28/69/60/592286960.db2.gz ZEBZBHPRFCWTIJ-AZUAARDMSA-N 2 1 345.487 1.979 20 0 EDADMP c1nnc([C@@H]2CCC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1C1CC1 ZINC000903751341 592295554 /nfs/dbraw/zinc/29/55/54/592295554.db2.gz CZQSQYOBARNZPQ-UWWQBHOKSA-N 2 1 331.464 1.561 20 0 EDADMP CCOCCN1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1CC ZINC000903739677 592301544 /nfs/dbraw/zinc/30/15/44/592301544.db2.gz NXQJYBATGSVRMB-MSOLQXFVSA-N 2 1 339.524 1.578 20 0 EDADMP CCOCC[N@@H+]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1CC ZINC000903739677 592301550 /nfs/dbraw/zinc/30/15/50/592301550.db2.gz NXQJYBATGSVRMB-MSOLQXFVSA-N 2 1 339.524 1.578 20 0 EDADMP CCOCC[N@H+]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1CC ZINC000903739677 592301556 /nfs/dbraw/zinc/30/15/56/592301556.db2.gz NXQJYBATGSVRMB-MSOLQXFVSA-N 2 1 339.524 1.578 20 0 EDADMP c1cc(-c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)nc2c1CC[NH2+]C2 ZINC000904639603 592302289 /nfs/dbraw/zinc/30/22/89/592302289.db2.gz VAYGKFJTHGRMSF-WFASDCNBSA-N 2 1 327.388 1.313 20 0 EDADMP C[C@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1CC(F)(F)F ZINC000903759888 592306362 /nfs/dbraw/zinc/30/63/62/592306362.db2.gz SUCHFHFHQYOVQQ-UONOGXRCSA-N 2 1 335.414 1.714 20 0 EDADMP C[C@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1CC(F)(F)F ZINC000903759888 592306367 /nfs/dbraw/zinc/30/63/67/592306367.db2.gz SUCHFHFHQYOVQQ-UONOGXRCSA-N 2 1 335.414 1.714 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](CCS(=O)(=O)Nc2ccccc2)C[C@H]1C[NH3+] ZINC000903761423 592307715 /nfs/dbraw/zinc/30/77/15/592307715.db2.gz SFLNGTGMFOLBBN-RBSFLKMASA-N 2 1 325.478 1.734 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCS(=O)(=O)Nc2ccccc2)C[C@H]1C[NH3+] ZINC000903761423 592307720 /nfs/dbraw/zinc/30/77/20/592307720.db2.gz SFLNGTGMFOLBBN-RBSFLKMASA-N 2 1 325.478 1.734 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CCS(=O)(=O)Nc2ccccc2)C[C@@H]1C[NH3+] ZINC000903761420 592308189 /nfs/dbraw/zinc/30/81/89/592308189.db2.gz SFLNGTGMFOLBBN-ILXRZTDVSA-N 2 1 325.478 1.734 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CCS(=O)(=O)Nc2ccccc2)C[C@@H]1C[NH3+] ZINC000903761420 592308194 /nfs/dbraw/zinc/30/81/94/592308194.db2.gz SFLNGTGMFOLBBN-ILXRZTDVSA-N 2 1 325.478 1.734 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CCS(=O)(=O)Nc1ccccc1)CC[NH2+]CC2 ZINC000903763796 592308929 /nfs/dbraw/zinc/30/89/29/592308929.db2.gz NBJGVZUPKFKFDT-OAHLLOKOSA-N 2 1 337.489 1.892 20 0 EDADMP C[N@@H+](CC(=O)NCCC1=CCCCC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903788389 592323195 /nfs/dbraw/zinc/32/31/95/592323195.db2.gz JREYOFVEHYKIJQ-PKOBYXMFSA-N 2 1 335.492 1.694 20 0 EDADMP C[N@H+](CC(=O)NCCC1=CCCCC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903788389 592323199 /nfs/dbraw/zinc/32/31/99/592323199.db2.gz JREYOFVEHYKIJQ-PKOBYXMFSA-N 2 1 335.492 1.694 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC000908115092 592328492 /nfs/dbraw/zinc/32/84/92/592328492.db2.gz KLOIHQFTZDMZQK-BZSNNMDCSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C1 ZINC000906755339 592334430 /nfs/dbraw/zinc/33/44/30/592334430.db2.gz BTAVLOAKTSPIEU-MRXNPFEDSA-N 2 1 346.475 1.908 20 0 EDADMP CCCC(=O)NC[C@H]1CCC[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903888578 592351652 /nfs/dbraw/zinc/35/16/52/592351652.db2.gz GLYRZQOIXRYYLC-IAGOWNOFSA-N 2 1 349.523 1.474 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)Cc2ccc3c(c2)OCO3)cnn1C ZINC000903877679 592358890 /nfs/dbraw/zinc/35/88/90/592358890.db2.gz OYAZNGMQKJYJFD-HNNXBMFYSA-N 2 1 330.432 1.707 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cnn1C ZINC000903886039 592364011 /nfs/dbraw/zinc/36/40/11/592364011.db2.gz QUKPHSBVLVCDMT-DLBZAZTESA-N 2 1 347.507 1.084 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)C1 ZINC000906841846 592365092 /nfs/dbraw/zinc/36/50/92/592365092.db2.gz NQMMRZIJLFWWIP-BZSNNMDCSA-N 2 1 337.508 1.678 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)C1 ZINC000906841846 592365098 /nfs/dbraw/zinc/36/50/98/592365098.db2.gz NQMMRZIJLFWWIP-BZSNNMDCSA-N 2 1 337.508 1.678 20 0 EDADMP OC[C@]1([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000903902690 592371242 /nfs/dbraw/zinc/37/12/42/592371242.db2.gz MNDOHNJTSQYRKV-MAUKXSAKSA-N 2 1 327.432 1.126 20 0 EDADMP CC1([C@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)OCCO1 ZINC000903902960 592371455 /nfs/dbraw/zinc/37/14/55/592371455.db2.gz QACIRLIYODWEKM-GJZGRUSLSA-N 2 1 335.452 1.178 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH+]2CCN(c3cnccc3C)CC2)cnn1C ZINC000903910305 592375343 /nfs/dbraw/zinc/37/53/43/592375343.db2.gz LJKNUTBFMPRTKN-QGZVFWFLSA-N 2 1 342.491 1.372 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)cnn1C ZINC000903932984 592384655 /nfs/dbraw/zinc/38/46/55/592384655.db2.gz JEEHXSAUDATWIS-HOTGVXAUSA-N 2 1 335.496 1.083 20 0 EDADMP c1nc(N2CCOCC2)sc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960035 592391812 /nfs/dbraw/zinc/39/18/12/592391812.db2.gz VLHMHDUUTJBZPS-QGZVFWFLSA-N 2 1 336.505 1.945 20 0 EDADMP c1nc(N2CCOCC2)sc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960035 592391818 /nfs/dbraw/zinc/39/18/18/592391818.db2.gz VLHMHDUUTJBZPS-QGZVFWFLSA-N 2 1 336.505 1.945 20 0 EDADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C[C@H]1OCCc2sccc21 ZINC000903947560 592394694 /nfs/dbraw/zinc/39/46/94/592394694.db2.gz AWQOFSJWHYOSJD-UKRRQHHQSA-N 2 1 337.489 1.491 20 0 EDADMP c1nc2ccccn2c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980552 592400054 /nfs/dbraw/zinc/40/00/54/592400054.db2.gz UQPKRESATYVDJD-CALCHBBNSA-N 2 1 325.460 1.735 20 0 EDADMP OCC1(C[C@@H](O)C[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCCC1 ZINC000905092852 592419168 /nfs/dbraw/zinc/41/91/68/592419168.db2.gz GGCVAKSGJRFNMI-QGZVFWFLSA-N 2 1 340.508 1.525 20 0 EDADMP C[NH2+]CCOc1ccccc1-c1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000904100486 592425539 /nfs/dbraw/zinc/42/55/39/592425539.db2.gz YYLWVILDOURDTD-XJKSGUPXSA-N 2 1 344.415 1.871 20 0 EDADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000908317352 592430458 /nfs/dbraw/zinc/43/04/58/592430458.db2.gz XZUGZDGYWVUZOI-JFIYKMOQSA-N 2 1 335.492 1.715 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000908317352 592430465 /nfs/dbraw/zinc/43/04/65/592430465.db2.gz XZUGZDGYWVUZOI-JFIYKMOQSA-N 2 1 335.492 1.715 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000908317352 592430468 /nfs/dbraw/zinc/43/04/68/592430468.db2.gz XZUGZDGYWVUZOI-JFIYKMOQSA-N 2 1 335.492 1.715 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000908364422 592466334 /nfs/dbraw/zinc/46/63/34/592466334.db2.gz ZOOKONRIKZMKQB-IBGZPJMESA-N 2 1 336.524 1.347 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000908364422 592466336 /nfs/dbraw/zinc/46/63/36/592466336.db2.gz ZOOKONRIKZMKQB-IBGZPJMESA-N 2 1 336.524 1.347 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000908364422 592466339 /nfs/dbraw/zinc/46/63/39/592466339.db2.gz ZOOKONRIKZMKQB-IBGZPJMESA-N 2 1 336.524 1.347 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904307600 592473708 /nfs/dbraw/zinc/47/37/08/592473708.db2.gz SCWGKGGTVQNJBD-RCCFBDPRSA-N 2 1 344.459 1.576 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000908491770 592508148 /nfs/dbraw/zinc/50/81/48/592508148.db2.gz SYNRKXBBHIKEFH-UHFFFAOYSA-N 2 1 336.524 1.251 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000907195998 592542499 /nfs/dbraw/zinc/54/24/99/592542499.db2.gz JLPRLVOEOHHPKZ-UHFFFAOYSA-N 2 1 344.503 1.757 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)CC1(O)CCCC1)C2 ZINC000905496379 592553685 /nfs/dbraw/zinc/55/36/85/592553685.db2.gz SCZFICBYKOLDTC-HSFUPAIVSA-N 2 1 340.508 1.112 20 0 EDADMP CCOc1ccc(C[NH+]2CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000908691964 592573596 /nfs/dbraw/zinc/57/35/96/592573596.db2.gz CODIAVSFLKNSDO-IBGZPJMESA-N 2 1 347.503 1.660 20 0 EDADMP CCN1CCC[C@H]([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)C1=O ZINC000905553811 592574434 /nfs/dbraw/zinc/57/44/34/592574434.db2.gz VSRNQFRAOQTIDO-HKUYNNGSSA-N 2 1 331.460 1.224 20 0 EDADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000907306938 592579147 /nfs/dbraw/zinc/57/91/47/592579147.db2.gz QTSBYQZGNWUQAF-IEBWSBKVSA-N 2 1 339.524 1.802 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000905690494 592605777 /nfs/dbraw/zinc/60/57/77/592605777.db2.gz PYZBIIUIGPDPKV-UMVBOHGHSA-N 2 1 327.469 1.334 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000905690494 592605780 /nfs/dbraw/zinc/60/57/80/592605780.db2.gz PYZBIIUIGPDPKV-UMVBOHGHSA-N 2 1 327.469 1.334 20 0 EDADMP C[C@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000907446814 592659911 /nfs/dbraw/zinc/65/99/11/592659911.db2.gz KUKOXFJHQAMZQT-IPELMVKDSA-N 2 1 333.476 1.641 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C[C@@]1(O)CCOC1 ZINC000905870129 592662043 /nfs/dbraw/zinc/66/20/43/592662043.db2.gz FQPUKSWDAYFBSP-OALUTQOASA-N 2 1 334.460 1.143 20 0 EDADMP Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)C1)CCCC2 ZINC000907553848 592704955 /nfs/dbraw/zinc/70/49/55/592704955.db2.gz IYJBHAITWXWVLK-SPYBWZPUSA-N 2 1 346.475 1.299 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221866 592761033 /nfs/dbraw/zinc/76/10/33/592761033.db2.gz JDUWHUAWLSCTBG-CVEARBPZSA-N 2 1 331.464 1.047 20 0 EDADMP CC[N@H+]1CCCN(C(=O)C2(CCOC)CC[NH+](C)CC2)[C@H](C)C1 ZINC000910266391 592813768 /nfs/dbraw/zinc/81/37/68/592813768.db2.gz MNLFHAVIJGIMAH-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c2c(nn1C)CCC2 ZINC000906490397 592831157 /nfs/dbraw/zinc/83/11/57/592831157.db2.gz YNIPNDGZPLURLK-OAHLLOKOSA-N 2 1 347.507 1.397 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000910447047 592865088 /nfs/dbraw/zinc/86/50/88/592865088.db2.gz SOCKNPZFJWAXKU-XLIONFOSSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000910447047 592865089 /nfs/dbraw/zinc/86/50/89/592865089.db2.gz SOCKNPZFJWAXKU-XLIONFOSSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000910447047 592865090 /nfs/dbraw/zinc/86/50/90/592865090.db2.gz SOCKNPZFJWAXKU-XLIONFOSSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000910447047 592865091 /nfs/dbraw/zinc/86/50/91/592865091.db2.gz SOCKNPZFJWAXKU-XLIONFOSSA-N 2 1 345.487 1.566 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)C1 ZINC000911580572 592953824 /nfs/dbraw/zinc/95/38/24/592953824.db2.gz RPJWEUABCHHZRN-RBSFLKMASA-N 2 1 339.480 1.106 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)C1 ZINC000911580572 592953826 /nfs/dbraw/zinc/95/38/26/592953826.db2.gz RPJWEUABCHHZRN-RBSFLKMASA-N 2 1 339.480 1.106 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736145379 592991118 /nfs/dbraw/zinc/99/11/18/592991118.db2.gz UEXGMICAKNIFQL-GFCCVEGCSA-N 2 1 348.426 1.283 20 0 EDADMP C[C@@H]([NH3+])CCNC(=O)[C@H]([NH3+])c1ccccc1I ZINC000911745146 592995747 /nfs/dbraw/zinc/99/57/47/592995747.db2.gz MFJKWLZGKYDSHX-LDYMZIIASA-N 2 1 347.200 1.145 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)[C@@H]2CCC[C@@H]21 ZINC000840795218 593231905 /nfs/dbraw/zinc/23/19/05/593231905.db2.gz DZRRGLXHWWAHLD-QAETUUGQSA-N 2 1 338.492 1.865 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](C(C)(C)COC)CC1 ZINC000819022179 593734341 /nfs/dbraw/zinc/73/43/41/593734341.db2.gz DAPXFGCSBOXXQV-OAHLLOKOSA-N 2 1 342.553 1.388 20 0 EDADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000819366960 593752167 /nfs/dbraw/zinc/75/21/67/593752167.db2.gz VBGHXSBUYZFFAH-RHSMWYFYSA-N 2 1 340.489 1.445 20 0 EDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821583409 593869111 /nfs/dbraw/zinc/86/91/11/593869111.db2.gz UOMHLMSNCJLUIU-AWEZNQCLSA-N 2 1 330.436 1.519 20 0 EDADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1-c1nn[nH]n1 ZINC000821808592 593945115 /nfs/dbraw/zinc/94/51/15/593945115.db2.gz IZPQVDGBNONSGL-LBPRGKRZSA-N 2 1 341.419 1.806 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822803478 594102939 /nfs/dbraw/zinc/10/29/39/594102939.db2.gz MAWGTWXUKMWSFG-ZDUSSCGKSA-N 2 1 337.291 1.729 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ncccn1 ZINC000822987083 594132249 /nfs/dbraw/zinc/13/22/49/594132249.db2.gz LPTGBXVHZWEUQY-HNNXBMFYSA-N 2 1 334.468 1.034 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC000825368502 594174329 /nfs/dbraw/zinc/17/43/29/594174329.db2.gz CBDSZNUSANWJQW-GOSISDBHSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC000825368502 594174330 /nfs/dbraw/zinc/17/43/30/594174330.db2.gz CBDSZNUSANWJQW-GOSISDBHSA-N 2 1 345.487 1.654 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000823420601 594200112 /nfs/dbraw/zinc/20/01/12/594200112.db2.gz QUCOMJBCIDHIOK-ZDUSSCGKSA-N 2 1 348.447 1.751 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000823420601 594200113 /nfs/dbraw/zinc/20/01/13/594200113.db2.gz QUCOMJBCIDHIOK-ZDUSSCGKSA-N 2 1 348.447 1.751 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C[C@@H]1C ZINC000825760994 594240177 /nfs/dbraw/zinc/24/01/77/594240177.db2.gz GHAXTOGWMWHHMI-YVSFHVDLSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC000825760994 594240179 /nfs/dbraw/zinc/24/01/79/594240179.db2.gz GHAXTOGWMWHHMI-YVSFHVDLSA-N 2 1 338.496 1.364 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC000825760994 594240180 /nfs/dbraw/zinc/24/01/80/594240180.db2.gz GHAXTOGWMWHHMI-YVSFHVDLSA-N 2 1 338.496 1.364 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(Cc3cc(-c4nn[nH]n4)cs3)CC2)C1 ZINC000826029074 594310053 /nfs/dbraw/zinc/31/00/53/594310053.db2.gz NUBCTGDXWFQVEM-CQSZACIVSA-N 2 1 347.492 1.140 20 0 EDADMP COC[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826149004 594348094 /nfs/dbraw/zinc/34/80/94/594348094.db2.gz WUXRZZILOWTCHM-AWEZNQCLSA-N 2 1 344.463 1.703 20 0 EDADMP CSCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826228996 594388865 /nfs/dbraw/zinc/38/88/65/594388865.db2.gz KJBWZCSMKWRVLC-UHFFFAOYSA-N 2 1 332.477 1.784 20 0 EDADMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C[C@H]([NH3+])C3CC3)c2)CC1 ZINC000830987831 594532890 /nfs/dbraw/zinc/53/28/90/594532890.db2.gz HTUHUMFVFYTLFM-KRWDZBQOSA-N 2 1 344.459 1.069 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@]2(O)CCc3ccccc32)CC1 ZINC000829302416 594594721 /nfs/dbraw/zinc/59/47/21/594594721.db2.gz HWLJVZYBYDTJPD-FQEVSTJZSA-N 2 1 345.487 1.353 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)CC1 ZINC000829302416 594594722 /nfs/dbraw/zinc/59/47/22/594594722.db2.gz HWLJVZYBYDTJPD-FQEVSTJZSA-N 2 1 345.487 1.353 20 0 EDADMP CC[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000831342043 594610790 /nfs/dbraw/zinc/61/07/90/594610790.db2.gz TWIMJOSADDOPHG-QYZOEREBSA-N 2 1 345.487 1.910 20 0 EDADMP CC[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000831342043 594610791 /nfs/dbraw/zinc/61/07/91/594610791.db2.gz TWIMJOSADDOPHG-QYZOEREBSA-N 2 1 345.487 1.910 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H]3[C@H](CC[N@@H+]3C)C1)n2C ZINC000827287427 594658756 /nfs/dbraw/zinc/65/87/56/594658756.db2.gz KLXLBAGKWWUMCE-OCCSQVGLSA-N 2 1 342.447 1.201 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H]3[C@H](CC[N@H+]3C)C1)n2C ZINC000827287427 594658757 /nfs/dbraw/zinc/65/87/57/594658757.db2.gz KLXLBAGKWWUMCE-OCCSQVGLSA-N 2 1 342.447 1.201 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831571908 594684194 /nfs/dbraw/zinc/68/41/94/594684194.db2.gz PKULHJZPBQBPSP-STQMWFEESA-N 2 1 330.354 1.534 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831571908 594684195 /nfs/dbraw/zinc/68/41/95/594684195.db2.gz PKULHJZPBQBPSP-STQMWFEESA-N 2 1 330.354 1.534 20 0 EDADMP CCO[C@H](CNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)C[NH+](C)C ZINC000831743166 594698401 /nfs/dbraw/zinc/69/84/01/594698401.db2.gz BRWHXPMOSSQFLG-QGZVFWFLSA-N 2 1 348.491 1.689 20 0 EDADMP [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841790453 594953408 /nfs/dbraw/zinc/95/34/08/594953408.db2.gz WPEPKFOCMUCGIM-IRXDYDNUSA-N 2 1 338.496 1.400 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841930711 594984286 /nfs/dbraw/zinc/98/42/86/594984286.db2.gz JSAJIORQVKYXHM-UHFFFAOYSA-N 2 1 334.464 1.052 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc(C(C)(C)C[NH3+])n3)cn2)CC1 ZINC000843204443 595034044 /nfs/dbraw/zinc/03/40/44/595034044.db2.gz ANPSDXNWWKSUNT-UHFFFAOYSA-N 2 1 330.436 1.510 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)c1 ZINC000837353043 595090607 /nfs/dbraw/zinc/09/06/07/595090607.db2.gz PEICFRMXQSDUDV-UHFFFAOYSA-N 2 1 342.443 1.981 20 0 EDADMP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843378343 595094441 /nfs/dbraw/zinc/09/44/41/595094441.db2.gz QRKOKKWXMQMMFI-HNNXBMFYSA-N 2 1 342.509 1.105 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)NC3CCCCCCC3)C2)nn1 ZINC000842479115 595115604 /nfs/dbraw/zinc/11/56/04/595115604.db2.gz VYGHPCYYQQPYJO-QGZVFWFLSA-N 2 1 348.495 1.603 20 0 EDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)NC3CCCCCCC3)C2)nn1 ZINC000842479115 595115607 /nfs/dbraw/zinc/11/56/07/595115607.db2.gz VYGHPCYYQQPYJO-QGZVFWFLSA-N 2 1 348.495 1.603 20 0 EDADMP Cc1cc(=O)oc2cc(OCC[N@@H+]3CCCO[C@H](C[NH3+])C3)ccc12 ZINC000842479443 595116441 /nfs/dbraw/zinc/11/64/41/595116441.db2.gz SQEGWCAAYHBZJV-OAHLLOKOSA-N 2 1 332.400 1.530 20 0 EDADMP Cc1cc(=O)oc2cc(OCC[N@H+]3CCCO[C@H](C[NH3+])C3)ccc12 ZINC000842479443 595116442 /nfs/dbraw/zinc/11/64/42/595116442.db2.gz SQEGWCAAYHBZJV-OAHLLOKOSA-N 2 1 332.400 1.530 20 0 EDADMP [NH3+][C@H](Cc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)C1CC1 ZINC000842571179 595129429 /nfs/dbraw/zinc/12/94/29/595129429.db2.gz UHFYKLKNLNXIAZ-MRXNPFEDSA-N 2 1 328.416 1.849 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCC2(C[NH3+])CC2)cn1 ZINC000846136941 595154580 /nfs/dbraw/zinc/15/45/80/595154580.db2.gz MEROCFBSVRGSDC-UHFFFAOYSA-N 2 1 328.420 1.504 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000844021356 595245893 /nfs/dbraw/zinc/24/58/93/595245893.db2.gz JSWZWTWAOLYMMX-IYBDPMFKSA-N 2 1 345.553 1.629 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000844021356 595245895 /nfs/dbraw/zinc/24/58/95/595245895.db2.gz JSWZWTWAOLYMMX-IYBDPMFKSA-N 2 1 345.553 1.629 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)CCO2 ZINC000844095427 595270956 /nfs/dbraw/zinc/27/09/56/595270956.db2.gz WJDUIBBPOWPFQL-GOSISDBHSA-N 2 1 341.471 1.522 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1ccccc1F)C2 ZINC000843111513 595289031 /nfs/dbraw/zinc/28/90/31/595289031.db2.gz FMMAUSSITYJEAB-SCLBCKFNSA-N 2 1 333.407 1.503 20 0 EDADMP [NH3+]CCCCCCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000844200146 595301063 /nfs/dbraw/zinc/30/10/63/595301063.db2.gz LFLWLBODEXICNW-UHFFFAOYSA-N 2 1 332.492 1.440 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@]3(C)CCOC3=O)CC2)CC1 ZINC000848104510 595319056 /nfs/dbraw/zinc/31/90/56/595319056.db2.gz RELDLUZXHJDRCC-SFHVURJKSA-N 2 1 337.464 1.005 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000846845662 595326216 /nfs/dbraw/zinc/32/62/16/595326216.db2.gz LLUBGEYETWKLEB-RTBURBONSA-N 2 1 336.476 1.683 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000846845662 595326219 /nfs/dbraw/zinc/32/62/19/595326219.db2.gz LLUBGEYETWKLEB-RTBURBONSA-N 2 1 336.476 1.683 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3=NC[C@H](C)S3)CC2)CC1 ZINC000848233373 595343519 /nfs/dbraw/zinc/34/35/19/595343519.db2.gz OMXRNEQYTUSLLM-ZDUSSCGKSA-N 2 1 338.521 1.790 20 0 EDADMP CCOC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000848545826 595404027 /nfs/dbraw/zinc/40/40/27/595404027.db2.gz LAGQCCKUIFHBOP-JKSUJKDBSA-N 2 1 325.453 1.450 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000844901482 595410591 /nfs/dbraw/zinc/41/05/91/595410591.db2.gz FSGDSGRDHJAFEJ-RCCFBDPRSA-N 3 1 341.459 1.986 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848647016 595422213 /nfs/dbraw/zinc/42/22/13/595422213.db2.gz BPRXXYDJFLSYDH-WCVJEAGWSA-N 2 1 342.553 1.433 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848647016 595422215 /nfs/dbraw/zinc/42/22/15/595422215.db2.gz BPRXXYDJFLSYDH-WCVJEAGWSA-N 2 1 342.553 1.433 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848647016 595422217 /nfs/dbraw/zinc/42/22/17/595422217.db2.gz BPRXXYDJFLSYDH-WCVJEAGWSA-N 2 1 342.553 1.433 20 0 EDADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848647016 595422218 /nfs/dbraw/zinc/42/22/18/595422218.db2.gz BPRXXYDJFLSYDH-WCVJEAGWSA-N 2 1 342.553 1.433 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(Cl)n1C ZINC000848911721 595466754 /nfs/dbraw/zinc/46/67/54/595466754.db2.gz XOMZDKYZPQLOGZ-CQSZACIVSA-N 2 1 327.904 1.921 20 0 EDADMP COC(=O)/C=C\c1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)o1 ZINC000848918821 595467715 /nfs/dbraw/zinc/46/77/15/595467715.db2.gz AFZLYWJHBVJOCA-WAYWQWQTSA-N 2 1 334.416 1.762 20 0 EDADMP COC(=O)/C=C\c1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)o1 ZINC000848918821 595467717 /nfs/dbraw/zinc/46/77/17/595467717.db2.gz AFZLYWJHBVJOCA-WAYWQWQTSA-N 2 1 334.416 1.762 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000849018782 595474925 /nfs/dbraw/zinc/47/49/25/595474925.db2.gz ADUCXAFVXCFWSW-AWEZNQCLSA-N 2 1 339.484 1.452 20 0 EDADMP COc1ccc(CCNC(=[NH2+])NCC[N@H+]2CC[C@@H](C)C2)cc1OC ZINC000849096786 595481157 /nfs/dbraw/zinc/48/11/57/595481157.db2.gz VMPVWIDCYRFJDF-CQSZACIVSA-N 2 1 334.464 1.702 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])NC2CCC2)CC1 ZINC000849110944 595483610 /nfs/dbraw/zinc/48/36/10/595483610.db2.gz PNTLKNAOWGOMMH-UHFFFAOYSA-N 2 1 329.492 1.991 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C1(O)CCOCC1 ZINC000849118058 595484968 /nfs/dbraw/zinc/48/49/68/595484968.db2.gz IFVIXKYIAZWIRY-AWEZNQCLSA-N 2 1 326.485 1.152 20 0 EDADMP C[NH+](C)CCNC(=S)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000849291844 595502506 /nfs/dbraw/zinc/50/25/06/595502506.db2.gz JJSNDONPWVFNLB-QGZVFWFLSA-N 2 1 334.533 1.671 20 0 EDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852765765 595533664 /nfs/dbraw/zinc/53/36/64/595533664.db2.gz RXAKYAMDFPCGKC-QGZVFWFLSA-N 3 1 348.539 1.908 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+](C3CCC3)CC2)cn1 ZINC000849545180 595561249 /nfs/dbraw/zinc/56/12/49/595561249.db2.gz LNRSDFYKMLBAPU-ZWKOTPCHSA-N 2 1 345.491 1.152 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849579933 595580681 /nfs/dbraw/zinc/58/06/81/595580681.db2.gz SWOFHHSGTMPYBW-IRXDYDNUSA-N 2 1 333.480 1.008 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849579933 595580683 /nfs/dbraw/zinc/58/06/83/595580683.db2.gz SWOFHHSGTMPYBW-IRXDYDNUSA-N 2 1 333.480 1.008 20 0 EDADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849579933 595580684 /nfs/dbraw/zinc/58/06/84/595580684.db2.gz SWOFHHSGTMPYBW-IRXDYDNUSA-N 2 1 333.480 1.008 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+](C)C(C)(C)C2)cn1 ZINC000849586536 595582614 /nfs/dbraw/zinc/58/26/14/595582614.db2.gz PTMOTKRTPXFGEH-JKSUJKDBSA-N 2 1 333.480 1.008 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000849586536 595582617 /nfs/dbraw/zinc/58/26/17/595582617.db2.gz PTMOTKRTPXFGEH-JKSUJKDBSA-N 2 1 333.480 1.008 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000849586536 595582618 /nfs/dbraw/zinc/58/26/18/595582618.db2.gz PTMOTKRTPXFGEH-JKSUJKDBSA-N 2 1 333.480 1.008 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)c2)C[C@H](C)O1 ZINC000852870485 595590426 /nfs/dbraw/zinc/59/04/26/595590426.db2.gz CSEXPVZYSRIUSA-DVOMOZLQSA-N 2 1 346.431 1.338 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)c2)C[C@H](C)O1 ZINC000852870485 595590430 /nfs/dbraw/zinc/59/04/30/595590430.db2.gz CSEXPVZYSRIUSA-DVOMOZLQSA-N 2 1 346.431 1.338 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849607028 595592900 /nfs/dbraw/zinc/59/29/00/595592900.db2.gz SRBWCPYPZMFMRY-IKGGRYGDSA-N 2 1 333.480 1.008 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849607028 595592902 /nfs/dbraw/zinc/59/29/02/595592902.db2.gz SRBWCPYPZMFMRY-IKGGRYGDSA-N 2 1 333.480 1.008 20 0 EDADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849607028 595592904 /nfs/dbraw/zinc/59/29/04/595592904.db2.gz SRBWCPYPZMFMRY-IKGGRYGDSA-N 2 1 333.480 1.008 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000857858198 595634174 /nfs/dbraw/zinc/63/41/74/595634174.db2.gz ISQNIDVVMPPAEJ-KRWDZBQOSA-N 2 1 341.459 1.868 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@](C)(O)c1ccccc1 ZINC000855346293 595680536 /nfs/dbraw/zinc/68/05/36/595680536.db2.gz VMRMOVCNISPNDQ-LPHOPBHVSA-N 2 1 335.492 1.672 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@](C)(O)c1ccccc1 ZINC000855346293 595680541 /nfs/dbraw/zinc/68/05/41/595680541.db2.gz VMRMOVCNISPNDQ-LPHOPBHVSA-N 2 1 335.492 1.672 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000853823840 595892672 /nfs/dbraw/zinc/89/26/72/595892672.db2.gz KXVUNENTQXJNMP-YESZJQIVSA-N 3 1 341.544 1.430 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000853823840 595892673 /nfs/dbraw/zinc/89/26/73/595892673.db2.gz KXVUNENTQXJNMP-YESZJQIVSA-N 3 1 341.544 1.430 20 0 EDADMP O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC(F)(F)F ZINC000854222398 596006564 /nfs/dbraw/zinc/00/65/64/596006564.db2.gz FDKUMWLKXPNFLE-UTUOFQBUSA-N 2 1 328.400 1.474 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCn3cncn3)C2)ccn1 ZINC000856584310 596020104 /nfs/dbraw/zinc/02/01/04/596020104.db2.gz HLFCZPSLUMWKMR-KRWDZBQOSA-N 2 1 330.436 1.278 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCn3cncn3)C2)ccn1 ZINC000856584310 596020108 /nfs/dbraw/zinc/02/01/08/596020108.db2.gz HLFCZPSLUMWKMR-KRWDZBQOSA-N 2 1 330.436 1.278 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCn3cncn3)C2)ccn1 ZINC000856584310 596020111 /nfs/dbraw/zinc/02/01/11/596020111.db2.gz HLFCZPSLUMWKMR-KRWDZBQOSA-N 2 1 330.436 1.278 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](COC)OC)C2)ccn1 ZINC000856583560 596020434 /nfs/dbraw/zinc/02/04/34/596020434.db2.gz JYZFWUFWYYNXIS-ROUUACIJSA-N 2 1 337.464 1.648 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H](COC)OC)C2)ccn1 ZINC000856583560 596020438 /nfs/dbraw/zinc/02/04/38/596020438.db2.gz JYZFWUFWYYNXIS-ROUUACIJSA-N 2 1 337.464 1.648 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H](COC)OC)C2)ccn1 ZINC000856583560 596020443 /nfs/dbraw/zinc/02/04/43/596020443.db2.gz JYZFWUFWYYNXIS-ROUUACIJSA-N 2 1 337.464 1.648 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000861552463 596027819 /nfs/dbraw/zinc/02/78/19/596027819.db2.gz NRSPHINSIIGSJQ-HRCADAONSA-N 2 1 348.491 1.784 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3c[nH]nn3)C2)ccn1 ZINC000856604881 596031842 /nfs/dbraw/zinc/03/18/42/596031842.db2.gz SVWFRURFTYCEJQ-GOSISDBHSA-N 2 1 344.463 1.736 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3c[nH]nn3)C2)ccn1 ZINC000856604881 596031847 /nfs/dbraw/zinc/03/18/47/596031847.db2.gz SVWFRURFTYCEJQ-GOSISDBHSA-N 2 1 344.463 1.736 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3c[nH]nn3)C2)ccn1 ZINC000856604881 596031852 /nfs/dbraw/zinc/03/18/52/596031852.db2.gz SVWFRURFTYCEJQ-GOSISDBHSA-N 2 1 344.463 1.736 20 0 EDADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3cn[nH]n3)C2)ccn1 ZINC000856604881 596031857 /nfs/dbraw/zinc/03/18/57/596031857.db2.gz SVWFRURFTYCEJQ-GOSISDBHSA-N 2 1 344.463 1.736 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3cn[nH]n3)C2)ccn1 ZINC000856604881 596031864 /nfs/dbraw/zinc/03/18/64/596031864.db2.gz SVWFRURFTYCEJQ-GOSISDBHSA-N 2 1 344.463 1.736 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3cn[nH]n3)C2)ccn1 ZINC000856604881 596031866 /nfs/dbraw/zinc/03/18/66/596031866.db2.gz SVWFRURFTYCEJQ-GOSISDBHSA-N 2 1 344.463 1.736 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3cn[nH]n3)C2)ccn1 ZINC000856604881 596031874 /nfs/dbraw/zinc/03/18/74/596031874.db2.gz SVWFRURFTYCEJQ-GOSISDBHSA-N 2 1 344.463 1.736 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cnc(Br)cn1 ZINC000856768967 596076685 /nfs/dbraw/zinc/07/66/85/596076685.db2.gz FUZIIWBYURSYIX-NSHDSACASA-N 2 1 330.274 1.923 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cnc(Br)cn1 ZINC000856768967 596076688 /nfs/dbraw/zinc/07/66/88/596076688.db2.gz FUZIIWBYURSYIX-NSHDSACASA-N 2 1 330.274 1.923 20 0 EDADMP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000861718911 596079693 /nfs/dbraw/zinc/07/96/93/596079693.db2.gz SPPIYNYCXPOYKE-MSOLQXFVSA-N 2 1 345.487 1.327 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000868750214 596294998 /nfs/dbraw/zinc/29/49/98/596294998.db2.gz HBYRIECIERXFSX-NQNKBUKLSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000868750214 596295002 /nfs/dbraw/zinc/29/50/02/596295002.db2.gz HBYRIECIERXFSX-NQNKBUKLSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000868750214 596295005 /nfs/dbraw/zinc/29/50/05/596295005.db2.gz HBYRIECIERXFSX-NQNKBUKLSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000868750214 596295009 /nfs/dbraw/zinc/29/50/09/596295009.db2.gz HBYRIECIERXFSX-NQNKBUKLSA-N 2 1 338.496 1.220 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862326210 596302047 /nfs/dbraw/zinc/30/20/47/596302047.db2.gz JZLCCVZJMTWUGA-DYVFJYSZSA-N 2 1 343.468 1.015 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862326210 596302050 /nfs/dbraw/zinc/30/20/50/596302050.db2.gz JZLCCVZJMTWUGA-DYVFJYSZSA-N 2 1 343.468 1.015 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000866711053 596303801 /nfs/dbraw/zinc/30/38/01/596303801.db2.gz AOLPVBPBSSQVDT-YFKTTZPYSA-N 2 1 334.247 1.437 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)CCc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1C ZINC000123391361 596396839 /nfs/dbraw/zinc/39/68/39/596396839.db2.gz VTXCOHDTDGVTJT-ZFWWWQNUSA-N 2 1 325.478 1.291 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)CCc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1C ZINC000123391361 596396842 /nfs/dbraw/zinc/39/68/42/596396842.db2.gz VTXCOHDTDGVTJT-ZFWWWQNUSA-N 2 1 325.478 1.291 20 0 EDADMP C[C@H]1C[C@@H]([N@H+](C)CCc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123391361 596396845 /nfs/dbraw/zinc/39/68/45/596396845.db2.gz VTXCOHDTDGVTJT-ZFWWWQNUSA-N 2 1 325.478 1.291 20 0 EDADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2ccc(S(N)(=O)=O)cc2)CC[NH+]1C ZINC000123391361 596396849 /nfs/dbraw/zinc/39/68/49/596396849.db2.gz VTXCOHDTDGVTJT-ZFWWWQNUSA-N 2 1 325.478 1.291 20 0 EDADMP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000870975766 596423262 /nfs/dbraw/zinc/42/32/62/596423262.db2.gz BBERFJLJWIDBJK-AKHDSKFASA-N 2 1 342.487 1.940 20 0 EDADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)CN(C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000863570523 596621099 /nfs/dbraw/zinc/62/10/99/596621099.db2.gz XXAVQVAXLCGCHL-QGZVFWFLSA-N 2 1 346.519 1.733 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000869778661 596630442 /nfs/dbraw/zinc/63/04/42/596630442.db2.gz MREXFTDTDBXYJD-SFHVURJKSA-N 2 1 345.487 1.396 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000869778661 596630443 /nfs/dbraw/zinc/63/04/43/596630443.db2.gz MREXFTDTDBXYJD-SFHVURJKSA-N 2 1 345.487 1.396 20 0 EDADMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000869778661 596630444 /nfs/dbraw/zinc/63/04/44/596630444.db2.gz MREXFTDTDBXYJD-SFHVURJKSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@H](NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)C1CC[NH2+]CC1 ZINC000868012658 596654778 /nfs/dbraw/zinc/65/47/78/596654778.db2.gz JZXYJRIUISTPLX-QFBILLFUSA-N 2 1 344.503 1.479 20 0 EDADMP CC(=O)N1CC[NH+](Cc2cccc(-c3cnn4c3C[NH2+]CC4)c2)CC1 ZINC000863731204 596668180 /nfs/dbraw/zinc/66/81/80/596668180.db2.gz SZYSGSYJGBRRHR-UHFFFAOYSA-N 2 1 339.443 1.317 20 0 EDADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868175322 596711346 /nfs/dbraw/zinc/71/13/46/596711346.db2.gz AEPUVWDFMJDOFH-HRCADAONSA-N 2 1 332.448 1.468 20 0 EDADMP C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)CCC1 ZINC000863921469 596716915 /nfs/dbraw/zinc/71/69/15/596716915.db2.gz HUQMBWWXMMMXOY-SJORKVTESA-N 2 1 347.507 1.492 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000868353478 596797432 /nfs/dbraw/zinc/79/74/32/596797432.db2.gz CMFFWNQEEAZJFA-RDTXWAMCSA-N 2 1 328.460 1.957 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000868353478 596797434 /nfs/dbraw/zinc/79/74/34/596797434.db2.gz CMFFWNQEEAZJFA-RDTXWAMCSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000868353478 596797436 /nfs/dbraw/zinc/79/74/36/596797436.db2.gz CMFFWNQEEAZJFA-RDTXWAMCSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000868353478 596797437 /nfs/dbraw/zinc/79/74/37/596797437.db2.gz CMFFWNQEEAZJFA-RDTXWAMCSA-N 2 1 328.460 1.957 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000872148992 596812124 /nfs/dbraw/zinc/81/21/24/596812124.db2.gz JWPBDGIHQRRWHS-IFXJQAMLSA-N 2 1 327.428 1.604 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1C[N@H+]([C@@H]1CCCN(Cc3ccc(F)cc3F)C1=O)C2 ZINC000872153839 596815104 /nfs/dbraw/zinc/81/51/04/596815104.db2.gz JJTMRRGJAZIBTF-POZUXBRTSA-N 2 1 349.425 1.997 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872256920 596857430 /nfs/dbraw/zinc/85/74/30/596857430.db2.gz FTSLBJUCWRWENZ-XHSDSOJGSA-N 2 1 333.436 1.139 20 0 EDADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872256920 596857432 /nfs/dbraw/zinc/85/74/32/596857432.db2.gz FTSLBJUCWRWENZ-XHSDSOJGSA-N 2 1 333.436 1.139 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000873111390 597199425 /nfs/dbraw/zinc/19/94/25/597199425.db2.gz MSYHWTJTJIHGPW-SJORKVTESA-N 2 1 344.459 1.430 20 0 EDADMP Cc1[nH+]ccn1CC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000876521787 597229553 /nfs/dbraw/zinc/22/95/53/597229553.db2.gz WYDSJBYHUSDPLF-AWEZNQCLSA-N 2 1 342.399 1.739 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[C@@H](C(F)(F)F)O1 ZINC000873228485 597234135 /nfs/dbraw/zinc/23/41/35/597234135.db2.gz FHASRNCRVGBSCS-AGIUHOORSA-N 2 1 337.386 1.225 20 0 EDADMP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)c2)nn1 ZINC000873244385 597237731 /nfs/dbraw/zinc/23/77/31/597237731.db2.gz RMTSKYNMRZXFGI-RBUKOAKNSA-N 3 1 334.427 1.960 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000875014077 597244357 /nfs/dbraw/zinc/24/43/57/597244357.db2.gz GVQCODJIRPKIOG-GVDBMIGSSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000875014077 597244361 /nfs/dbraw/zinc/24/43/61/597244361.db2.gz GVQCODJIRPKIOG-GVDBMIGSSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000875014077 597244365 /nfs/dbraw/zinc/24/43/65/597244365.db2.gz GVQCODJIRPKIOG-GVDBMIGSSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)(CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000876722890 597305704 /nfs/dbraw/zinc/30/57/04/597305704.db2.gz HNYGGYLKGWANCM-WBVHZDCISA-N 2 1 333.451 1.887 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c(C[NH3+])cnn2C)C1 ZINC000876736359 597313811 /nfs/dbraw/zinc/31/38/11/597313811.db2.gz JXZQUKMGHGGLHJ-XJKSGUPXSA-N 2 1 327.432 1.444 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000876765927 597330249 /nfs/dbraw/zinc/33/02/49/597330249.db2.gz WWDGGQCODJYLSI-INIZCTEOSA-N 2 1 331.464 1.426 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCCCn1cc[nH+]c1C ZINC000876770371 597332249 /nfs/dbraw/zinc/33/22/49/597332249.db2.gz DUCQDMXBRUGXKC-INIZCTEOSA-N 2 1 344.463 1.831 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876772180 597333206 /nfs/dbraw/zinc/33/32/06/597333206.db2.gz IRAKSRPGPQWRTL-LEUOFYLZSA-N 2 1 345.487 1.766 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876772180 597333209 /nfs/dbraw/zinc/33/32/09/597333209.db2.gz IRAKSRPGPQWRTL-LEUOFYLZSA-N 2 1 345.487 1.766 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)CC2)nc(C)[nH+]1 ZINC000876775767 597335861 /nfs/dbraw/zinc/33/58/61/597335861.db2.gz GAAJZCAHAYYCCB-CABCVRRESA-N 2 1 331.464 1.552 20 0 EDADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)COC1(C)C[NH2+]C1 ZINC000877031536 597417306 /nfs/dbraw/zinc/41/73/06/597417306.db2.gz XGFNKSXFEQLSQK-NVXWUHKLSA-N 2 1 329.444 1.508 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000875487661 597448857 /nfs/dbraw/zinc/44/88/57/597448857.db2.gz BGEUOCPWBKPUGR-CVEARBPZSA-N 2 1 326.485 1.080 20 0 EDADMP COC(=O)c1cccc2c(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)ccnc12 ZINC000877363273 597501994 /nfs/dbraw/zinc/50/19/94/597501994.db2.gz DBKHXVIPSKRBLR-GOSISDBHSA-N 2 1 329.400 1.178 20 0 EDADMP COC(=O)c1cccc2c(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)ccnc12 ZINC000877363273 597501995 /nfs/dbraw/zinc/50/19/95/597501995.db2.gz DBKHXVIPSKRBLR-GOSISDBHSA-N 2 1 329.400 1.178 20 0 EDADMP CC(C)C[N@H+](Cc1ccc(S(N)(=O)=O)o1)CC1CC[NH+](C)CC1 ZINC000877767208 597554091 /nfs/dbraw/zinc/55/40/91/597554091.db2.gz CCLQUQFUTHYEME-UHFFFAOYSA-N 2 1 343.493 1.727 20 0 EDADMP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H]1COc2ccccc2O1 ZINC000877905585 597563240 /nfs/dbraw/zinc/56/32/40/597563240.db2.gz OTUFTLBJRMXVDY-INIZCTEOSA-N 2 1 347.459 1.359 20 0 EDADMP CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H]1COc2ccccc2O1 ZINC000877905585 597563241 /nfs/dbraw/zinc/56/32/41/597563241.db2.gz OTUFTLBJRMXVDY-INIZCTEOSA-N 2 1 347.459 1.359 20 0 EDADMP COC(=O)C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000878414725 597600337 /nfs/dbraw/zinc/60/03/37/597600337.db2.gz SIAQRIAOEQCDDU-MJGOQNOKSA-N 2 1 332.444 1.555 20 0 EDADMP COC(=O)C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000878414725 597600338 /nfs/dbraw/zinc/60/03/38/597600338.db2.gz SIAQRIAOEQCDDU-MJGOQNOKSA-N 2 1 332.444 1.555 20 0 EDADMP Cc1ccnc(C2CC[NH+](CC(=O)NC3CC[NH+](C)CC3)CC2)n1 ZINC000878429940 597601119 /nfs/dbraw/zinc/60/11/19/597601119.db2.gz RRUMLTWNYSATBS-UHFFFAOYSA-N 2 1 331.464 1.175 20 0 EDADMP c1cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c(C2CC2)c[nH+]1 ZINC000882987079 597608861 /nfs/dbraw/zinc/60/88/61/597608861.db2.gz RVOBLXDKCCPFIZ-KRWDZBQOSA-N 2 1 330.476 1.589 20 0 EDADMP Cc1cc(F)ccc1[C@@H](O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000881415934 597608901 /nfs/dbraw/zinc/60/89/01/597608901.db2.gz RRNRSBJZRDGEQV-SFHVURJKSA-N 2 1 347.438 1.425 20 0 EDADMP CC(C)CC[C@@H]1CCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000130691009 597611595 /nfs/dbraw/zinc/61/15/95/597611595.db2.gz UMZSROOXGLTZBQ-HNNXBMFYSA-N 2 1 336.480 1.861 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569481 597635495 /nfs/dbraw/zinc/63/54/95/597635495.db2.gz QHHGJGMYNADYGG-JQHSSLGASA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569481 597635496 /nfs/dbraw/zinc/63/54/96/597635496.db2.gz QHHGJGMYNADYGG-JQHSSLGASA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569481 597635497 /nfs/dbraw/zinc/63/54/97/597635497.db2.gz QHHGJGMYNADYGG-JQHSSLGASA-N 2 1 334.460 1.599 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879569481 597635498 /nfs/dbraw/zinc/63/54/98/597635498.db2.gz QHHGJGMYNADYGG-JQHSSLGASA-N 2 1 334.460 1.599 20 0 EDADMP CC[N@@H+]1CC[C@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000883091651 597645384 /nfs/dbraw/zinc/64/53/84/597645384.db2.gz SZNOIHQUSOOGEQ-ZNMIVQPWSA-N 2 1 326.485 1.268 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000883091651 597645386 /nfs/dbraw/zinc/64/53/86/597645386.db2.gz SZNOIHQUSOOGEQ-ZNMIVQPWSA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000883091651 597645388 /nfs/dbraw/zinc/64/53/88/597645388.db2.gz SZNOIHQUSOOGEQ-ZNMIVQPWSA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000883091651 597645391 /nfs/dbraw/zinc/64/53/91/597645391.db2.gz SZNOIHQUSOOGEQ-ZNMIVQPWSA-N 2 1 326.485 1.268 20 0 EDADMP C[NH+]1CCN(C2CC[NH+]([C@@H]3C[C@H]4CCCC[C@H]4NC3=O)CC2)CC1 ZINC000879594834 597650668 /nfs/dbraw/zinc/65/06/68/597650668.db2.gz SBOPZVWZTOINFY-KBAYOESNSA-N 2 1 334.508 1.146 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883135984 597663364 /nfs/dbraw/zinc/66/33/64/597663364.db2.gz RLIMHRGIPDZJLR-HOTGVXAUSA-N 2 1 343.475 1.786 20 0 EDADMP CCOP(=O)(OCC)[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878863669 597737989 /nfs/dbraw/zinc/73/79/89/597737989.db2.gz BJHSZVSLAWCKJU-CQSZACIVSA-N 2 1 334.397 1.989 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](C[C@H]3CCC4(CCC4)O3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000883433788 597745105 /nfs/dbraw/zinc/74/51/05/597745105.db2.gz YXDXLYMVTIMTIL-ZACQAIPSSA-N 2 1 348.491 1.308 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)CC2(O)CCCCC2)CCO1 ZINC000879001232 597781581 /nfs/dbraw/zinc/78/15/81/597781581.db2.gz SYDRERSBUBHHOE-IRXDYDNUSA-N 2 1 328.497 1.475 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)CC2(O)CCCCC2)CCO1 ZINC000879001232 597781584 /nfs/dbraw/zinc/78/15/84/597781584.db2.gz SYDRERSBUBHHOE-IRXDYDNUSA-N 2 1 328.497 1.475 20 0 EDADMP [NH3+]C/C=C\CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883586748 597815475 /nfs/dbraw/zinc/81/54/75/597815475.db2.gz RPYVDOCCMIWPHM-NLVOMGJBSA-N 2 1 329.448 1.607 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)CC[N@@H+]1C ZINC000882330988 597936993 /nfs/dbraw/zinc/93/69/93/597936993.db2.gz RHXIVZODPQSPFR-HZPDHXFCSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)CC[N@H+]1C ZINC000882330988 597936995 /nfs/dbraw/zinc/93/69/95/597936995.db2.gz RHXIVZODPQSPFR-HZPDHXFCSA-N 2 1 325.497 1.676 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000880609973 597979993 /nfs/dbraw/zinc/97/99/93/597979993.db2.gz DABYESXVVAUDLH-MRXNPFEDSA-N 2 1 335.452 1.376 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000880609973 597979995 /nfs/dbraw/zinc/97/99/95/597979995.db2.gz DABYESXVVAUDLH-MRXNPFEDSA-N 2 1 335.452 1.376 20 0 EDADMP CC[NH+](CC)CCOc1ccc(CNC(=O)c2ncoc2C[NH3+])cc1 ZINC000884187951 598019336 /nfs/dbraw/zinc/01/93/36/598019336.db2.gz ULYYIPOZOKQVAJ-UHFFFAOYSA-N 2 1 346.431 1.784 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884198083 598024774 /nfs/dbraw/zinc/02/47/74/598024774.db2.gz MRPZJDAZUVMNLA-CHWSQXEVSA-N 2 1 326.238 1.659 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884198083 598024776 /nfs/dbraw/zinc/02/47/76/598024776.db2.gz MRPZJDAZUVMNLA-CHWSQXEVSA-N 2 1 326.238 1.659 20 0 EDADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)C1CC1 ZINC000884200614 598026252 /nfs/dbraw/zinc/02/62/52/598026252.db2.gz GTQDYXBNZPFESO-ZDUSSCGKSA-N 2 1 326.238 1.659 20 0 EDADMP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000914069730 695065243 /nfs/dbraw/zinc/06/52/43/695065243.db2.gz ZITFCMQGYFRFIA-GOEBONIOSA-N 2 1 326.485 1.269 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000925406400 695330358 /nfs/dbraw/zinc/33/03/58/695330358.db2.gz SINYLVPXWNNPTK-KRWDZBQOSA-N 2 1 332.448 1.387 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000915457302 695826314 /nfs/dbraw/zinc/82/63/14/695826314.db2.gz AKOAYEHYEOAHHA-LSDHHAIUSA-N 2 1 336.505 1.963 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000915457302 695826316 /nfs/dbraw/zinc/82/63/16/695826316.db2.gz AKOAYEHYEOAHHA-LSDHHAIUSA-N 2 1 336.505 1.963 20 0 EDADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000915457302 695826317 /nfs/dbraw/zinc/82/63/17/695826317.db2.gz AKOAYEHYEOAHHA-LSDHHAIUSA-N 2 1 336.505 1.963 20 0 EDADMP O=C(NC1C[NH+](CC[C@H]2CCOC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001031236203 695932902 /nfs/dbraw/zinc/93/29/02/695932902.db2.gz QHCNVMRWQYYLNI-INIZCTEOSA-N 2 1 335.492 1.335 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@H+]1CCC1CC1 ZINC000993370273 696021000 /nfs/dbraw/zinc/02/10/00/696021000.db2.gz WIULZGKZIQAKOV-NVXWUHKLSA-N 2 1 347.507 1.828 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC001015654943 696030894 /nfs/dbraw/zinc/03/08/94/696030894.db2.gz JECYKNHJSHNYKI-HIFRSBDPSA-N 2 1 329.435 1.954 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CCC[N@H+]1CCCO ZINC000993619190 696262355 /nfs/dbraw/zinc/26/23/55/696262355.db2.gz FSOPYIJTXXLTBI-VQIMIIECSA-N 2 1 347.503 1.756 20 0 EDADMP C[C@@H]1[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CCC[N@@H+]1CCCO ZINC000993629838 696292695 /nfs/dbraw/zinc/29/26/95/696292695.db2.gz ZUBVQGJLVZZPGI-HUUCEWRRSA-N 2 1 334.464 1.113 20 0 EDADMP C[C@@H]1[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CCC[N@H+]1CCCO ZINC000993629838 696292696 /nfs/dbraw/zinc/29/26/96/696292696.db2.gz ZUBVQGJLVZZPGI-HUUCEWRRSA-N 2 1 334.464 1.113 20 0 EDADMP C[C@@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000993925976 696446016 /nfs/dbraw/zinc/44/60/16/696446016.db2.gz JAHFWZJYJCTVAD-CRAIPNDOSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1Cc1cnn(C)c1 ZINC000993925976 696446017 /nfs/dbraw/zinc/44/60/17/696446017.db2.gz JAHFWZJYJCTVAD-CRAIPNDOSA-N 2 1 347.507 1.621 20 0 EDADMP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994001123 696500777 /nfs/dbraw/zinc/50/07/77/696500777.db2.gz BXVIBYQIPZFNMA-RHSMWYFYSA-N 2 1 346.475 1.077 20 0 EDADMP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994001123 696500778 /nfs/dbraw/zinc/50/07/78/696500778.db2.gz BXVIBYQIPZFNMA-RHSMWYFYSA-N 2 1 346.475 1.077 20 0 EDADMP Cc1ncoc1C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994257077 696664771 /nfs/dbraw/zinc/66/47/71/696664771.db2.gz SMBPGBONJFSAFZ-GJZGRUSLSA-N 2 1 332.448 1.548 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994257077 696664774 /nfs/dbraw/zinc/66/47/74/696664774.db2.gz SMBPGBONJFSAFZ-GJZGRUSLSA-N 2 1 332.448 1.548 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCC[N@H+]1Cc1ccc(CO)cc1 ZINC000994404695 696827727 /nfs/dbraw/zinc/82/77/27/696827727.db2.gz GRPOGXCYVAODGS-APWZRJJASA-N 2 1 345.487 1.744 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(CO)cc1 ZINC000994404695 696827733 /nfs/dbraw/zinc/82/77/33/696827733.db2.gz GRPOGXCYVAODGS-APWZRJJASA-N 2 1 345.487 1.744 20 0 EDADMP CC1CCN(C(=O)C2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)CC1 ZINC000917067960 696907661 /nfs/dbraw/zinc/90/76/61/696907661.db2.gz FWBUEKYASGQXAW-GOSISDBHSA-N 2 1 337.508 1.414 20 0 EDADMP Cc1ccncc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)[C@@H]1C ZINC000994505073 696947877 /nfs/dbraw/zinc/94/78/77/696947877.db2.gz IGNIPQPSUUVCBA-DOTOQJQBSA-N 2 1 327.432 1.756 20 0 EDADMP C[C@@H]1[C@H](NC(=O)Cn2ccnc2)CCC[N@H+]1CCOc1ccccc1 ZINC000994505730 696948953 /nfs/dbraw/zinc/94/89/53/696948953.db2.gz KIMRVYFWTCLBIW-SJLPKXTDSA-N 2 1 342.443 1.931 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000917413280 697014382 /nfs/dbraw/zinc/01/43/82/697014382.db2.gz ZLUHCTIZZLCVSK-DZGCQCFKSA-N 2 1 326.485 1.268 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)NC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001031438246 697104917 /nfs/dbraw/zinc/10/49/17/697104917.db2.gz YICXWLYQPLHRPE-MRXNPFEDSA-N 2 1 345.487 1.979 20 0 EDADMP C[C@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)[NH+]1CCCCC1 ZINC000918121851 697133888 /nfs/dbraw/zinc/13/38/88/697133888.db2.gz OJPYGCKIPBRAOQ-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP COCc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001031579891 697275501 /nfs/dbraw/zinc/27/55/01/697275501.db2.gz NXECGVYOPLBWIV-SFHVURJKSA-N 2 1 331.460 1.475 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001031584477 697279946 /nfs/dbraw/zinc/27/99/46/697279946.db2.gz DDTLPRSGCNQFPI-HIFRSBDPSA-N 2 1 329.435 1.954 20 0 EDADMP Cc1ccc(C)c([C@H](C)[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC001031597411 697298187 /nfs/dbraw/zinc/29/81/87/697298187.db2.gz ZYKSLXGRSPTYFY-QFBILLFUSA-N 2 1 345.487 1.743 20 0 EDADMP Cc1ccc(C)c([C@H](C)[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001031597411 697298188 /nfs/dbraw/zinc/29/81/88/697298188.db2.gz ZYKSLXGRSPTYFY-QFBILLFUSA-N 2 1 345.487 1.743 20 0 EDADMP Cc1cc(OCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)no1 ZINC000919860925 697351635 /nfs/dbraw/zinc/35/16/35/697351635.db2.gz JXFLACXPESPKLU-UHFFFAOYSA-N 2 1 331.376 1.147 20 0 EDADMP Cc1ncsc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668537 697461188 /nfs/dbraw/zinc/46/11/88/697461188.db2.gz IUHBMHMAOFSDJK-HOTGVXAUSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1ncsc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668537 697461189 /nfs/dbraw/zinc/46/11/89/697461189.db2.gz IUHBMHMAOFSDJK-HOTGVXAUSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1ncccc1CN1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668868 697463494 /nfs/dbraw/zinc/46/34/94/697463494.db2.gz RIVBBJXFJMYMDI-OALUTQOASA-N 2 1 342.487 1.812 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668868 697463496 /nfs/dbraw/zinc/46/34/96/697463496.db2.gz RIVBBJXFJMYMDI-OALUTQOASA-N 2 1 342.487 1.812 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668868 697463498 /nfs/dbraw/zinc/46/34/98/697463498.db2.gz RIVBBJXFJMYMDI-OALUTQOASA-N 2 1 342.487 1.812 20 0 EDADMP O=C(NCC1C[NH+](CCC(F)(F)F)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031669039 697464162 /nfs/dbraw/zinc/46/41/62/697464162.db2.gz WLKHHKZHERWQEN-KBPBESRZSA-N 2 1 333.398 1.861 20 0 EDADMP O=C(NCC1C[NH+](CCC(F)(F)F)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031669039 697464164 /nfs/dbraw/zinc/46/41/64/697464164.db2.gz WLKHHKZHERWQEN-KBPBESRZSA-N 2 1 333.398 1.861 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2CN(Cc3cc(F)ccc3F)C2)CC[N@H+]1C ZINC001031680931 697500943 /nfs/dbraw/zinc/50/09/43/697500943.db2.gz AETCWHHNOTZZDE-MLGOLLRUSA-N 2 1 337.414 1.853 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccc2F)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688280 697520081 /nfs/dbraw/zinc/52/00/81/697520081.db2.gz CFFLLVRALMRSFT-SJLPKXTDSA-N 2 1 347.434 1.237 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccc2F)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688280 697520084 /nfs/dbraw/zinc/52/00/84/697520084.db2.gz CFFLLVRALMRSFT-SJLPKXTDSA-N 2 1 347.434 1.237 20 0 EDADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc[nH]c(=O)c2)c2cccs2)CC1 ZINC000921471602 697627450 /nfs/dbraw/zinc/62/74/50/697627450.db2.gz JRXVESNXZVXAGF-OAHLLOKOSA-N 2 1 332.473 1.927 20 0 EDADMP O=C(NCC1C[NH+](C[C@H]2CCOC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001031730213 698067230 /nfs/dbraw/zinc/06/72/30/698067230.db2.gz HEKAIZHGNOQUQG-QAPCUYQASA-N 2 1 335.492 1.478 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc(C)n(C)n2)C1 ZINC000995037080 700202390 /nfs/dbraw/zinc/20/23/90/700202390.db2.gz MONGOWXWCUYNKI-HZPDHXFCSA-N 2 1 344.463 1.308 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940108531 700220869 /nfs/dbraw/zinc/22/08/69/700220869.db2.gz GDOHTMNFDCVJHN-MRXNPFEDSA-N 2 1 345.491 1.820 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ocnc2C)C1 ZINC000995038542 700226833 /nfs/dbraw/zinc/22/68/33/700226833.db2.gz QHSGQQQJQUPZKI-GJZGRUSLSA-N 2 1 331.420 1.563 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ncccn3)CC2)CC[N@H+]1C ZINC000940123556 700256858 /nfs/dbraw/zinc/25/68/58/700256858.db2.gz LWSJQBCTCBAZAR-JKSUJKDBSA-N 2 1 345.491 1.678 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3cncn3C)C[C@@H]2C)CC1 ZINC000943755447 698828696 /nfs/dbraw/zinc/82/86/96/698828696.db2.gz DUNAGTAHMNOZRN-WMZOPIPTSA-N 2 1 347.507 1.479 20 0 EDADMP CCc1nocc1CN1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001031766467 699062697 /nfs/dbraw/zinc/06/26/97/699062697.db2.gz JLMIRPKEMVBGTL-FUHWJXTLSA-N 2 1 346.475 1.802 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031766467 699062701 /nfs/dbraw/zinc/06/27/01/699062701.db2.gz JLMIRPKEMVBGTL-FUHWJXTLSA-N 2 1 346.475 1.802 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001031766467 699062705 /nfs/dbraw/zinc/06/27/05/699062705.db2.gz JLMIRPKEMVBGTL-FUHWJXTLSA-N 2 1 346.475 1.802 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)[nH]1 ZINC000939054998 699115926 /nfs/dbraw/zinc/11/59/26/699115926.db2.gz RYCMZTXCHNWQQR-DZGCQCFKSA-N 2 1 348.495 1.206 20 0 EDADMP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566492 701585319 /nfs/dbraw/zinc/58/53/19/701585319.db2.gz FBWUJDJMTRCROV-IAGOWNOFSA-N 2 1 336.524 1.345 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031812673 699486777 /nfs/dbraw/zinc/48/67/77/699486777.db2.gz GEOIXPVUDJDPKD-UHFFFAOYSA-N 2 1 332.448 1.468 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cc(C3CC3)no2)[C@@H](C)C1 ZINC000939753907 699903806 /nfs/dbraw/zinc/90/38/06/699903806.db2.gz JLOPMLSPPVACTI-SJCJKPOMSA-N 2 1 343.431 1.694 20 0 EDADMP Cn1ncnc1C[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000940159464 700292166 /nfs/dbraw/zinc/29/21/66/700292166.db2.gz KCNLLXOZOQQVIV-HNNXBMFYSA-N 2 1 348.495 1.160 20 0 EDADMP Cn1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000940178125 700311817 /nfs/dbraw/zinc/31/18/17/700311817.db2.gz CLAQHWJFUONXPK-MRXNPFEDSA-N 2 1 333.480 1.375 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940178868 700312326 /nfs/dbraw/zinc/31/23/26/700312326.db2.gz NYNOLOJUFGBCES-ZDUSSCGKSA-N 2 1 337.493 1.493 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1 ZINC000940214307 700354449 /nfs/dbraw/zinc/35/44/49/700354449.db2.gz GQFYWAPNCWTNEA-MRXNPFEDSA-N 2 1 334.464 1.589 20 0 EDADMP CCc1nnc(CN2CCC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000948244728 700456144 /nfs/dbraw/zinc/45/61/44/700456144.db2.gz JBBXQDIVRQHHEQ-CABCVRRESA-N 2 1 349.479 1.539 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000940307687 700489867 /nfs/dbraw/zinc/48/98/67/700489867.db2.gz WWCTWOZMWGIAPV-OAHLLOKOSA-N 2 1 337.468 1.435 20 0 EDADMP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000940328429 700506720 /nfs/dbraw/zinc/50/67/20/700506720.db2.gz JZECIOOUIKKEKH-MRXNPFEDSA-N 2 1 347.507 1.858 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1 ZINC000940328962 700507986 /nfs/dbraw/zinc/50/79/86/700507986.db2.gz OWBXTFBEPRHBLO-ZBFHGGJFSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)ncn1 ZINC000940329897 700509528 /nfs/dbraw/zinc/50/95/28/700509528.db2.gz ZNCLPAANQNKNJL-WMLDXEAASA-N 2 1 345.491 1.453 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cn(C)nn2)CC1 ZINC000940472535 700657823 /nfs/dbraw/zinc/65/78/23/700657823.db2.gz BWDFVKCTGRBVKY-MRXNPFEDSA-N 2 1 348.495 1.160 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000940461847 700665266 /nfs/dbraw/zinc/66/52/66/700665266.db2.gz NYUIYKXFSSFIFP-AWEZNQCLSA-N 2 1 348.495 1.351 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940842828 700939161 /nfs/dbraw/zinc/93/91/61/700939161.db2.gz QAZGMOTWXODAHN-IRXDYDNUSA-N 2 1 347.507 1.621 20 0 EDADMP Cn1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C(C)(C)C2)cn1 ZINC000940842828 700939162 /nfs/dbraw/zinc/93/91/62/700939162.db2.gz QAZGMOTWXODAHN-IRXDYDNUSA-N 2 1 347.507 1.621 20 0 EDADMP Cn1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C(C)(C)C2)cn1 ZINC000940842828 700939164 /nfs/dbraw/zinc/93/91/64/700939164.db2.gz QAZGMOTWXODAHN-IRXDYDNUSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCOC2)CC1(C)C ZINC000940892784 700968150 /nfs/dbraw/zinc/96/81/50/700968150.db2.gz KEOJDGIJTBVCDJ-CVEARBPZSA-N 2 1 334.464 1.445 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCOC2)CC1(C)C ZINC000940892784 700968152 /nfs/dbraw/zinc/96/81/52/700968152.db2.gz KEOJDGIJTBVCDJ-CVEARBPZSA-N 2 1 334.464 1.445 20 0 EDADMP CC1(C)C[N@@H+](CCF)CC[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000940901328 700976428 /nfs/dbraw/zinc/97/64/28/700976428.db2.gz MEQTWVXNYICYHO-QRHJNKNDSA-N 2 1 339.455 1.036 20 0 EDADMP CC1(C)C[NH+](CCF)CC[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000940901328 700976430 /nfs/dbraw/zinc/97/64/30/700976430.db2.gz MEQTWVXNYICYHO-QRHJNKNDSA-N 2 1 339.455 1.036 20 0 EDADMP CC1(C)C[NH+](CCF)CC[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000940901328 700976431 /nfs/dbraw/zinc/97/64/31/700976431.db2.gz MEQTWVXNYICYHO-QRHJNKNDSA-N 2 1 339.455 1.036 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000941026466 701065732 /nfs/dbraw/zinc/06/57/32/701065732.db2.gz KMQATNIZSNINQU-KBXCAEBGSA-N 2 1 343.487 1.408 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2cnnn2C)CC1(C)C ZINC000941033757 701077189 /nfs/dbraw/zinc/07/71/89/701077189.db2.gz UMKHUKSRNNOKBP-ZBFHGGJFSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2cnnn2C)CC1(C)C ZINC000941033757 701077191 /nfs/dbraw/zinc/07/71/91/701077191.db2.gz UMKHUKSRNNOKBP-ZBFHGGJFSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)CC1(C)C ZINC000941033757 701077194 /nfs/dbraw/zinc/07/71/94/701077194.db2.gz UMKHUKSRNNOKBP-ZBFHGGJFSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)CC1(C)C ZINC000941033757 701077195 /nfs/dbraw/zinc/07/71/95/701077195.db2.gz UMKHUKSRNNOKBP-ZBFHGGJFSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO)CC1(C)C ZINC000941075473 701102856 /nfs/dbraw/zinc/10/28/56/701102856.db2.gz MNZJBVDOWBBQJI-HOTGVXAUSA-N 2 1 325.497 1.458 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCO)CC1(C)C ZINC000941075473 701102857 /nfs/dbraw/zinc/10/28/57/701102857.db2.gz MNZJBVDOWBBQJI-HOTGVXAUSA-N 2 1 325.497 1.458 20 0 EDADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941075473 701102859 /nfs/dbraw/zinc/10/28/59/701102859.db2.gz MNZJBVDOWBBQJI-HOTGVXAUSA-N 2 1 325.497 1.458 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCCc3ccccc3)C2)C1 ZINC001032197358 701691915 /nfs/dbraw/zinc/69/19/15/701691915.db2.gz JINLIBMUQVCGIK-LJQANCHMSA-N 2 1 345.487 1.388 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCCc3ccccc3)C2)C1 ZINC001032197358 701691916 /nfs/dbraw/zinc/69/19/16/701691916.db2.gz JINLIBMUQVCGIK-LJQANCHMSA-N 2 1 345.487 1.388 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1C[NH+](CCOC3CCC3)C1)CC2 ZINC001031931706 701371180 /nfs/dbraw/zinc/37/11/80/701371180.db2.gz MANSPTJXIWDHEC-MRXNPFEDSA-N 2 1 346.475 1.371 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941215912 701402196 /nfs/dbraw/zinc/40/21/96/701402196.db2.gz BGJCLQBNKJAEKD-HOCLYGCPSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215912 701402197 /nfs/dbraw/zinc/40/21/97/701402197.db2.gz BGJCLQBNKJAEKD-HOCLYGCPSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215912 701402198 /nfs/dbraw/zinc/40/21/98/701402198.db2.gz BGJCLQBNKJAEKD-HOCLYGCPSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941216911 701403094 /nfs/dbraw/zinc/40/30/94/701403094.db2.gz HKJSXPKURIWMKZ-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941216911 701403095 /nfs/dbraw/zinc/40/30/95/701403095.db2.gz HKJSXPKURIWMKZ-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216911 701403096 /nfs/dbraw/zinc/40/30/96/701403096.db2.gz HKJSXPKURIWMKZ-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216911 701403097 /nfs/dbraw/zinc/40/30/97/701403097.db2.gz HKJSXPKURIWMKZ-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](Cc3ccccc3)C2)CC1 ZINC000941345350 701480750 /nfs/dbraw/zinc/48/07/50/701480750.db2.gz SNIJGPCGDWUTEV-IBGZPJMESA-N 2 1 342.487 1.109 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](Cc3ccccc3)C2)CC1 ZINC000941345350 701480751 /nfs/dbraw/zinc/48/07/51/701480751.db2.gz SNIJGPCGDWUTEV-IBGZPJMESA-N 2 1 342.487 1.109 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc1 ZINC000999174038 706605666 /nfs/dbraw/zinc/60/56/66/706605666.db2.gz NJQGZKPWPXVFRH-DLBZAZTESA-N 2 1 343.475 1.207 20 0 EDADMP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128645 701794920 /nfs/dbraw/zinc/79/49/20/701794920.db2.gz JCMNDLGXEGLTTO-IAGOWNOFSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032129137 701811786 /nfs/dbraw/zinc/81/17/86/701811786.db2.gz RIHFCQPKNAYJKK-IRXDYDNUSA-N 2 1 348.491 1.960 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)[nH]1 ZINC000999189265 706631400 /nfs/dbraw/zinc/63/14/00/706631400.db2.gz JRABYMZFOJWDQE-RBSFLKMASA-N 2 1 348.495 1.349 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)[nH]1 ZINC000999189265 706631402 /nfs/dbraw/zinc/63/14/02/706631402.db2.gz JRABYMZFOJWDQE-RBSFLKMASA-N 2 1 348.495 1.349 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCOc2ccc(F)cc2)C1 ZINC001031977133 702012556 /nfs/dbraw/zinc/01/25/56/702012556.db2.gz XBYMIGPARWLAFC-RDTXWAMCSA-N 2 1 349.450 1.450 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000995805224 702050349 /nfs/dbraw/zinc/05/03/49/702050349.db2.gz TWTVNASJAMEUJM-LSDHHAIUSA-N 2 1 335.452 1.269 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000995805224 702050355 /nfs/dbraw/zinc/05/03/55/702050355.db2.gz TWTVNASJAMEUJM-LSDHHAIUSA-N 2 1 335.452 1.269 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CCC3)CC2)O1 ZINC000948542611 702073596 /nfs/dbraw/zinc/07/35/96/702073596.db2.gz UCDAQYJKAPCCSD-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CCC3)CC2)O1 ZINC000948542611 702073603 /nfs/dbraw/zinc/07/36/03/702073603.db2.gz UCDAQYJKAPCCSD-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC3CCC3)CC2)O1 ZINC000948542611 702073610 /nfs/dbraw/zinc/07/36/10/702073610.db2.gz UCDAQYJKAPCCSD-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC3CCC3)CC2)O1 ZINC000948542611 702073617 /nfs/dbraw/zinc/07/36/17/702073617.db2.gz UCDAQYJKAPCCSD-KBAYOESNSA-N 2 1 337.508 1.819 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cncn3C)C(C)(C)C2)CC[N@H+]1C ZINC000995824266 702094637 /nfs/dbraw/zinc/09/46/37/702094637.db2.gz HPIXUSRVXFVEIA-BBWFWOEESA-N 2 1 347.507 1.477 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@H]3CCc4c3c(F)ccc4F)C2)C1 ZINC001032182926 702152621 /nfs/dbraw/zinc/15/26/21/702152621.db2.gz WBYLXDQRZBDNPB-DYVFJYSZSA-N 2 1 349.425 1.952 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@H]3CCc4c3c(F)ccc4F)C2)C1 ZINC001032182926 702152627 /nfs/dbraw/zinc/15/26/27/702152627.db2.gz WBYLXDQRZBDNPB-DYVFJYSZSA-N 2 1 349.425 1.952 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCc3ccnn3C)C2)CC[N@H+]1C ZINC000999201996 706646172 /nfs/dbraw/zinc/64/61/72/706646172.db2.gz UJYPKQPRBILDNK-BPQIPLTHSA-N 2 1 347.507 1.274 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@@H]1[NH2+]CC1CC1 ZINC000995900522 702206179 /nfs/dbraw/zinc/20/61/79/702206179.db2.gz YHTVRRLQEKBDSD-ROUUACIJSA-N 2 1 349.519 1.866 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nonc2C)C(C)(C)C1 ZINC000995886654 702223334 /nfs/dbraw/zinc/22/33/34/702223334.db2.gz NDSNGMMFCULNEU-JKSUJKDBSA-N 2 1 349.479 1.579 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nonc2C)C(C)(C)C1 ZINC000995886654 702223340 /nfs/dbraw/zinc/22/33/40/702223340.db2.gz NDSNGMMFCULNEU-JKSUJKDBSA-N 2 1 349.479 1.579 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncnn2C)C(C)(C)C1 ZINC000995887373 702225530 /nfs/dbraw/zinc/22/55/30/702225530.db2.gz QHPQHHHCQXUHIS-HUUCEWRRSA-N 2 1 348.495 1.016 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncnn2C)C(C)(C)C1 ZINC000995887373 702225535 /nfs/dbraw/zinc/22/55/35/702225535.db2.gz QHPQHHHCQXUHIS-HUUCEWRRSA-N 2 1 348.495 1.016 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@@H]1[NH2+]CCF ZINC000995891182 702233573 /nfs/dbraw/zinc/23/35/73/702233573.db2.gz CPNFTUQTHLVDMX-CVEARBPZSA-N 2 1 341.471 1.426 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@H]([NH2+]Cc2cncs2)C(C)(C)C1)C1CCC1 ZINC000995920197 702241607 /nfs/dbraw/zinc/24/16/07/702241607.db2.gz TXNBPGOHAYNOAL-HNNXBMFYSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1ccccc1OCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186080 702314312 /nfs/dbraw/zinc/31/43/12/702314312.db2.gz HNTRSBAWVOUHJE-KRWDZBQOSA-N 2 1 331.460 1.374 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCCCO3)C2)CC1 ZINC001015929925 702319847 /nfs/dbraw/zinc/31/98/47/702319847.db2.gz FMXWCJUVWCZDNP-ZWKOTPCHSA-N 2 1 337.508 1.866 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995986573 702348517 /nfs/dbraw/zinc/34/85/17/702348517.db2.gz YXIJPMFYIAXUQP-HOTGVXAUSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995986573 702348521 /nfs/dbraw/zinc/34/85/21/702348521.db2.gz YXIJPMFYIAXUQP-HOTGVXAUSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1conc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944170435 702414176 /nfs/dbraw/zinc/41/41/76/702414176.db2.gz TURNEAHEGXAWIQ-ZFWWWQNUSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1conc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944170435 702414180 /nfs/dbraw/zinc/41/41/80/702414180.db2.gz TURNEAHEGXAWIQ-ZFWWWQNUSA-N 2 1 332.448 1.405 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2conc2C)C(C)(C)C1 ZINC000996041901 702458276 /nfs/dbraw/zinc/45/82/76/702458276.db2.gz ILMUFDBTENAMPJ-HNNXBMFYSA-N 2 1 331.420 1.515 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2snnc2C)C(C)(C)C1 ZINC000996042183 702458301 /nfs/dbraw/zinc/45/83/01/702458301.db2.gz KKZRBTDADXRCBG-AWEZNQCLSA-N 2 1 348.476 1.378 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnoc2C)C1 ZINC000995205856 702645402 /nfs/dbraw/zinc/64/54/02/702645402.db2.gz CPVPAAVSDQQXNO-GDBMZVCRSA-N 2 1 331.420 1.563 20 0 EDADMP CCn1nncc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996300477 702692340 /nfs/dbraw/zinc/69/23/40/702692340.db2.gz MTVFHYJNZOAMMD-ZBFHGGJFSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300544 702692350 /nfs/dbraw/zinc/69/23/50/702692350.db2.gz NPEXQXKIJNHHFU-YOEHRIQHSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996302776 702694955 /nfs/dbraw/zinc/69/49/55/702694955.db2.gz ZGFQCHGYBOMIIR-GDBMZVCRSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC000996302776 702694956 /nfs/dbraw/zinc/69/49/56/702694956.db2.gz ZGFQCHGYBOMIIR-GDBMZVCRSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cscn2)C1 ZINC000995213894 702715595 /nfs/dbraw/zinc/71/55/95/702715595.db2.gz QSVPGVDSNLNMIE-UONOGXRCSA-N 2 1 333.461 1.723 20 0 EDADMP CC1(C)CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC000996414181 702765152 /nfs/dbraw/zinc/76/51/52/702765152.db2.gz KHXQVAZIBBBYRR-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996516982 702852273 /nfs/dbraw/zinc/85/22/73/702852273.db2.gz DADGJNVVKWCWCZ-YOEHRIQHSA-N 2 1 348.491 1.905 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)n1 ZINC000996519194 702854924 /nfs/dbraw/zinc/85/49/24/702854924.db2.gz JMUFOPXQLMOCCJ-HNNXBMFYSA-N 2 1 343.475 1.207 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)o1 ZINC000996520566 702856331 /nfs/dbraw/zinc/85/63/31/702856331.db2.gz PNJRGUWIVRNETR-HUUCEWRRSA-N 2 1 346.475 1.966 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)cs1 ZINC000996521371 702857042 /nfs/dbraw/zinc/85/70/42/702857042.db2.gz RRVJETUEVBQLNM-OAHLLOKOSA-N 2 1 348.516 1.874 20 0 EDADMP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996521401 702857264 /nfs/dbraw/zinc/85/72/64/702857264.db2.gz VRZWPHCXZZCDRU-GOEBONIOSA-N 2 1 348.491 1.905 20 0 EDADMP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996521401 702857265 /nfs/dbraw/zinc/85/72/65/702857265.db2.gz VRZWPHCXZZCDRU-GOEBONIOSA-N 2 1 348.491 1.905 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CCc3ccns3)CC2)CC[N@H+]1C ZINC000996608840 702915076 /nfs/dbraw/zinc/91/50/76/702915076.db2.gz TWORERKSAZSJEY-CZUORRHYSA-N 2 1 336.505 1.606 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC000996619406 702925848 /nfs/dbraw/zinc/92/58/48/702925848.db2.gz GCQGDAVVAXATOV-MRXNPFEDSA-N 2 1 344.463 1.260 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([NH2+]CCc2ccns2)CC1)C1CCC1 ZINC000996673795 702969150 /nfs/dbraw/zinc/96/91/50/702969150.db2.gz XJLYHWCFGUJCIA-UHFFFAOYSA-N 2 1 336.505 1.751 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000996674204 702969432 /nfs/dbraw/zinc/96/94/32/702969432.db2.gz UEYKWVCTHMYBKK-CVEARBPZSA-N 2 1 348.495 1.016 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000996674204 702969434 /nfs/dbraw/zinc/96/94/34/702969434.db2.gz UEYKWVCTHMYBKK-CVEARBPZSA-N 2 1 348.495 1.016 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([NH2+]C[C@@H]2C[C@]23CCOC3)CC1)C1CCC1 ZINC000996672920 702973974 /nfs/dbraw/zinc/97/39/74/702973974.db2.gz QGFAYUPNQHRVCQ-KXBFYZLASA-N 2 1 335.492 1.478 20 0 EDADMP Cc1conc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000996678354 702977232 /nfs/dbraw/zinc/97/72/32/702977232.db2.gz MTGNHNVJPVUEEX-INIZCTEOSA-N 2 1 343.431 1.838 20 0 EDADMP Cn1cc(CC[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000996692357 702989905 /nfs/dbraw/zinc/98/99/05/702989905.db2.gz XSNLEYFWYVMJTK-GOSISDBHSA-N 2 1 347.507 1.418 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3)CC2)O1 ZINC000996712416 703007066 /nfs/dbraw/zinc/00/70/66/703007066.db2.gz OAJLKTUHVCYYDE-CRAIPNDOSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3)CC2)O1 ZINC000996712416 703007069 /nfs/dbraw/zinc/00/70/69/703007069.db2.gz OAJLKTUHVCYYDE-CRAIPNDOSA-N 2 1 331.460 1.486 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032026638 703044691 /nfs/dbraw/zinc/04/46/91/703044691.db2.gz HOWXEKPRTLOELX-SFHVURJKSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032026638 703044694 /nfs/dbraw/zinc/04/46/94/703044694.db2.gz HOWXEKPRTLOELX-SFHVURJKSA-N 2 1 347.507 1.539 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556266 703070194 /nfs/dbraw/zinc/07/01/94/703070194.db2.gz YMIUAHZIYYNHPM-WBVHZDCISA-N 2 1 347.507 1.621 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000996799919 703086060 /nfs/dbraw/zinc/08/60/60/703086060.db2.gz CCWNZMHQTJSKOJ-MAUKXSAKSA-N 2 1 332.448 1.199 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2cnc(C)cn2)CC1 ZINC000996800003 703086161 /nfs/dbraw/zinc/08/61/61/703086161.db2.gz CZDHEQIQECZAJW-UHFFFAOYSA-N 2 1 328.420 1.071 20 0 EDADMP CCc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000942596740 703111113 /nfs/dbraw/zinc/11/11/13/703111113.db2.gz FJAWSORLPPHZNU-WMLDXEAASA-N 2 1 348.491 1.905 20 0 EDADMP CCc1cnc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000942596740 703111114 /nfs/dbraw/zinc/11/11/14/703111114.db2.gz FJAWSORLPPHZNU-WMLDXEAASA-N 2 1 348.491 1.905 20 0 EDADMP CCn1ccc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000942596724 703111406 /nfs/dbraw/zinc/11/14/06/703111406.db2.gz FFUWXUTVTKYHQZ-QAPCUYQASA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000942596724 703111408 /nfs/dbraw/zinc/11/14/08/703111408.db2.gz FFUWXUTVTKYHQZ-QAPCUYQASA-N 2 1 347.507 1.571 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC000996921432 703192406 /nfs/dbraw/zinc/19/24/06/703192406.db2.gz JQRBZPCMBJQXMS-ZFWWWQNUSA-N 2 1 334.464 1.794 20 0 EDADMP C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000942718129 703232012 /nfs/dbraw/zinc/23/20/12/703232012.db2.gz BVGQVHCEERDKRW-LPHOPBHVSA-N 2 1 347.503 1.613 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000996981837 703236662 /nfs/dbraw/zinc/23/66/62/703236662.db2.gz YBGZKKGZPHWKSV-QAPCUYQASA-N 2 1 347.507 1.274 20 0 EDADMP COc1ncccc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000996993232 703249806 /nfs/dbraw/zinc/24/98/06/703249806.db2.gz BWNPNNLQBKNPDC-HNNXBMFYSA-N 2 1 346.475 1.655 20 0 EDADMP CCn1ccnc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000996993803 703250522 /nfs/dbraw/zinc/25/05/22/703250522.db2.gz FPWYHZATDJVXSH-HNNXBMFYSA-N 2 1 333.480 1.468 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000996995741 703252374 /nfs/dbraw/zinc/25/23/74/703252374.db2.gz QBUXAIDKWPXAAI-CYBMUJFWSA-N 2 1 334.464 1.714 20 0 EDADMP CCc1nocc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000996996308 703259810 /nfs/dbraw/zinc/25/98/10/703259810.db2.gz XUUUJXVLNOHONO-CQSZACIVSA-N 2 1 334.464 1.802 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000997060286 703305483 /nfs/dbraw/zinc/30/54/83/703305483.db2.gz GFCVBMQMIGEHJG-QGZVFWFLSA-N 2 1 348.495 1.122 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H](C)O)CC1 ZINC000997172357 703454120 /nfs/dbraw/zinc/45/41/20/703454120.db2.gz ZAPMUXSIBZYOME-DOTOQJQBSA-N 2 1 325.497 1.602 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997185181 703474219 /nfs/dbraw/zinc/47/42/19/703474219.db2.gz RGVVDBDCXIVJFZ-OAHLLOKOSA-N 2 1 348.491 1.968 20 0 EDADMP C[C@@H](NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000921553645 703512964 /nfs/dbraw/zinc/51/29/64/703512964.db2.gz KSCCUOOLIANQIL-JBCIKUTRSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H](NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000921553645 703512967 /nfs/dbraw/zinc/51/29/67/703512967.db2.gz KSCCUOOLIANQIL-JBCIKUTRSA-N 2 1 338.496 1.412 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](CC3CC3)CC2)C1 ZINC000997271163 703533775 /nfs/dbraw/zinc/53/37/75/703533775.db2.gz GPHWTSUSKSYXIP-CRAIPNDOSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](CC3CC3)CC2)C1 ZINC000997271163 703533776 /nfs/dbraw/zinc/53/37/76/703533776.db2.gz GPHWTSUSKSYXIP-CRAIPNDOSA-N 2 1 337.508 1.722 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(F)c(F)c3)CC2)C1 ZINC000997296754 703555360 /nfs/dbraw/zinc/55/53/60/703555360.db2.gz BSFZRTDNVLESLJ-CQSZACIVSA-N 2 1 337.414 1.997 20 0 EDADMP CC(C)c1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000997299928 703557039 /nfs/dbraw/zinc/55/70/39/703557039.db2.gz RRJAEYFIMUDSRZ-CYBMUJFWSA-N 2 1 335.452 1.225 20 0 EDADMP CC(C)c1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000997299928 703557040 /nfs/dbraw/zinc/55/70/40/703557040.db2.gz RRJAEYFIMUDSRZ-CYBMUJFWSA-N 2 1 335.452 1.225 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000997366833 703600853 /nfs/dbraw/zinc/60/08/53/703600853.db2.gz NHXUZNZVPKKHGA-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997368152 703604908 /nfs/dbraw/zinc/60/49/08/703604908.db2.gz QFDCDZZWHDZLDE-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(F)(F)C1)C1CC1 ZINC001032445959 703614802 /nfs/dbraw/zinc/61/48/02/703614802.db2.gz SOLOUPKCNYOZEM-SOUVJXGZSA-N 2 1 327.419 1.657 20 0 EDADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032444147 703620927 /nfs/dbraw/zinc/62/09/27/703620927.db2.gz NCNZUJKRANWOSD-OKZBNKHCSA-N 2 1 345.491 1.289 20 0 EDADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032444147 703620928 /nfs/dbraw/zinc/62/09/28/703620928.db2.gz NCNZUJKRANWOSD-OKZBNKHCSA-N 2 1 345.491 1.289 20 0 EDADMP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001032444127 703621181 /nfs/dbraw/zinc/62/11/81/703621181.db2.gz LSCYTKHGKMDIOY-OKZBNKHCSA-N 2 1 335.492 1.715 20 0 EDADMP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032444127 703621182 /nfs/dbraw/zinc/62/11/82/703621182.db2.gz LSCYTKHGKMDIOY-OKZBNKHCSA-N 2 1 335.492 1.715 20 0 EDADMP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001032444127 703621183 /nfs/dbraw/zinc/62/11/83/703621183.db2.gz LSCYTKHGKMDIOY-OKZBNKHCSA-N 2 1 335.492 1.715 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1)C12CCC[NH+](CCC1)C2 ZINC001032471990 703687465 /nfs/dbraw/zinc/68/74/65/703687465.db2.gz IRZIJZHILZIASI-IRXDYDNUSA-N 2 1 347.503 1.717 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1)C12CCC[NH+](CCC1)C2 ZINC001032471990 703687466 /nfs/dbraw/zinc/68/74/66/703687466.db2.gz IRZIJZHILZIASI-IRXDYDNUSA-N 2 1 347.503 1.717 20 0 EDADMP CCOC1CC(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000997611461 703911287 /nfs/dbraw/zinc/91/12/87/703911287.db2.gz FSZHOFKEKYCADK-ABHNRTSZSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC000997645760 703957993 /nfs/dbraw/zinc/95/79/93/703957993.db2.gz RULOKYZYXFRTAF-KRWDZBQOSA-N 2 1 337.508 1.581 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC000997645760 703957994 /nfs/dbraw/zinc/95/79/94/703957994.db2.gz RULOKYZYXFRTAF-KRWDZBQOSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)o1 ZINC000995551990 703958653 /nfs/dbraw/zinc/95/86/53/703958653.db2.gz PIFMBCDZNCDPJH-HOCLYGCPSA-N 2 1 334.464 1.712 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCF)C[C@H]2CC1 ZINC000946586621 704120189 /nfs/dbraw/zinc/12/01/89/704120189.db2.gz PFFHYKCAZNULBC-IXDOHACOSA-N 2 1 325.472 1.999 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]2CC1 ZINC000946586621 704120191 /nfs/dbraw/zinc/12/01/91/704120191.db2.gz PFFHYKCAZNULBC-IXDOHACOSA-N 2 1 325.472 1.999 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]2CC1 ZINC000946586621 704120192 /nfs/dbraw/zinc/12/01/92/704120192.db2.gz PFFHYKCAZNULBC-IXDOHACOSA-N 2 1 325.472 1.999 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ncn1 ZINC001033091109 704165412 /nfs/dbraw/zinc/16/54/12/704165412.db2.gz GXVIDIADWXJTKZ-HYVNUMGLSA-N 2 1 331.464 1.158 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ncn1 ZINC001033091109 704165415 /nfs/dbraw/zinc/16/54/15/704165415.db2.gz GXVIDIADWXJTKZ-HYVNUMGLSA-N 2 1 331.464 1.158 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)ncn1 ZINC001033091109 704165419 /nfs/dbraw/zinc/16/54/19/704165419.db2.gz GXVIDIADWXJTKZ-HYVNUMGLSA-N 2 1 331.464 1.158 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)ncn1 ZINC001033091109 704165422 /nfs/dbraw/zinc/16/54/22/704165422.db2.gz GXVIDIADWXJTKZ-HYVNUMGLSA-N 2 1 331.464 1.158 20 0 EDADMP CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598070 704310783 /nfs/dbraw/zinc/31/07/83/704310783.db2.gz WQEWUNFTJSFESG-XWTMOSNGSA-N 2 1 335.492 1.428 20 0 EDADMP CC(C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598070 704310786 /nfs/dbraw/zinc/31/07/86/704310786.db2.gz WQEWUNFTJSFESG-XWTMOSNGSA-N 2 1 335.492 1.428 20 0 EDADMP CC(C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598070 704310791 /nfs/dbraw/zinc/31/07/91/704310791.db2.gz WQEWUNFTJSFESG-XWTMOSNGSA-N 2 1 335.492 1.428 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nonc2C)C1 ZINC000999308697 706809469 /nfs/dbraw/zinc/80/94/69/706809469.db2.gz RLHAZVVHEDRNAM-GOEBONIOSA-N 2 1 335.452 1.333 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nonc2C)C1 ZINC000999308697 706809470 /nfs/dbraw/zinc/80/94/70/706809470.db2.gz RLHAZVVHEDRNAM-GOEBONIOSA-N 2 1 335.452 1.333 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2conc2C)C1 ZINC000999309004 706809960 /nfs/dbraw/zinc/80/99/60/706809960.db2.gz TYGZASYYTRIUPS-IRXDYDNUSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2conc2C)C1 ZINC000999309000 706810003 /nfs/dbraw/zinc/81/00/03/706810003.db2.gz TYGZASYYTRIUPS-DLBZAZTESA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000999306735 706812001 /nfs/dbraw/zinc/81/20/01/706812001.db2.gz LPNXFBOGUDKCFQ-NVXWUHKLSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000999306735 706812002 /nfs/dbraw/zinc/81/20/02/706812002.db2.gz LPNXFBOGUDKCFQ-NVXWUHKLSA-N 2 1 348.495 1.253 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001004455738 704449323 /nfs/dbraw/zinc/44/93/23/704449323.db2.gz AIWGXEXNHXIKLZ-QZTJIDSGSA-N 2 1 347.507 1.536 20 0 EDADMP CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001004455738 704449324 /nfs/dbraw/zinc/44/93/24/704449324.db2.gz AIWGXEXNHXIKLZ-QZTJIDSGSA-N 2 1 347.507 1.536 20 0 EDADMP C[NH+](C)C1(C(=O)N2CCC([C@H]3CCC[N@H+]3CCCO)CC2)CCC1 ZINC001004459396 704453003 /nfs/dbraw/zinc/45/30/03/704453003.db2.gz UGEIJEHHQKDNEL-QGZVFWFLSA-N 2 1 337.508 1.556 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nn1C ZINC000997784432 704688083 /nfs/dbraw/zinc/68/80/83/704688083.db2.gz FMNYQWUGXKDRSJ-CRAIPNDOSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000997785648 704689615 /nfs/dbraw/zinc/68/96/15/704689615.db2.gz VYNMNZDTMRWDCG-MRXNPFEDSA-N 2 1 347.463 1.048 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccon3)CC2)CC[N@H+]1C ZINC000997791878 704700337 /nfs/dbraw/zinc/70/03/37/704700337.db2.gz AHJPCNNBDIACES-DLBZAZTESA-N 2 1 334.464 1.733 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918445 704769670 /nfs/dbraw/zinc/76/96/70/704769670.db2.gz JCBXWTUIZYOTMJ-APWZRJJASA-N 2 1 345.487 1.601 20 0 EDADMP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997864377 704770767 /nfs/dbraw/zinc/77/07/67/704770767.db2.gz GHFQNQDOUXSEBZ-QGZVFWFLSA-N 2 1 347.507 1.716 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1)c1ncccn1 ZINC000997866089 704772804 /nfs/dbraw/zinc/77/28/04/704772804.db2.gz QCMUAWZIROYFDV-DOTOQJQBSA-N 2 1 345.491 1.850 20 0 EDADMP C[C@@H]1CN(Cc2ncc(C3CC3)o2)CC[C@H]1NC(=O)CN1CCCC1 ZINC000944942532 704794671 /nfs/dbraw/zinc/79/46/71/704794671.db2.gz ARGCAIAQECGABY-GDBMZVCRSA-N 2 1 346.475 1.974 20 0 EDADMP Cc1ccncc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944943652 704796325 /nfs/dbraw/zinc/79/63/25/704796325.db2.gz JHQLVCXROLNYHE-FUHWJXTLSA-N 2 1 330.476 1.812 20 0 EDADMP CCc1onc(C)c1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944944565 704797422 /nfs/dbraw/zinc/79/74/22/704797422.db2.gz NIHYAMAOUJFSMO-PBHICJAKSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944945508 704798586 /nfs/dbraw/zinc/79/85/86/704798586.db2.gz RQOOHRIPTXIAQB-RHSMWYFYSA-N 2 1 334.464 1.659 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@H]2CCCCO2)CC[N@H+]1C ZINC001032588517 705143465 /nfs/dbraw/zinc/14/34/65/705143465.db2.gz GAFLOJFVEXOSLL-KFGODFMUSA-N 2 1 335.492 1.571 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CCCCO2)CC[NH+]1C ZINC001032588517 705143467 /nfs/dbraw/zinc/14/34/67/705143467.db2.gz GAFLOJFVEXOSLL-KFGODFMUSA-N 2 1 335.492 1.571 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CCCCO2)CC[NH+]1C ZINC001032588517 705143470 /nfs/dbraw/zinc/14/34/70/705143470.db2.gz GAFLOJFVEXOSLL-KFGODFMUSA-N 2 1 335.492 1.571 20 0 EDADMP Cc1ncc2n1C[C@H](C(=O)N1C[C@@H]3C[C@H]1C[N@H+]3CCC1CC1)CC2 ZINC001032590875 705176445 /nfs/dbraw/zinc/17/64/45/705176445.db2.gz CAHKBILAQHMQLG-NJAFHUGGSA-N 2 1 328.460 1.839 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H]3C[C@H]1C[N@@H+]3CCC1CC1)CC2 ZINC001032590875 705176449 /nfs/dbraw/zinc/17/64/49/705176449.db2.gz CAHKBILAQHMQLG-NJAFHUGGSA-N 2 1 328.460 1.839 20 0 EDADMP CN(C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032592739 705200157 /nfs/dbraw/zinc/20/01/57/705200157.db2.gz SSAKOSIUYGYLGM-IRXDYDNUSA-N 2 1 347.459 1.667 20 0 EDADMP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032592739 705200160 /nfs/dbraw/zinc/20/01/60/705200160.db2.gz SSAKOSIUYGYLGM-IRXDYDNUSA-N 2 1 347.459 1.667 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000998018474 705201921 /nfs/dbraw/zinc/20/19/21/705201921.db2.gz VJAQLWKMZJNZQA-JKSUJKDBSA-N 2 1 338.496 1.048 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC000998018474 705201925 /nfs/dbraw/zinc/20/19/25/705201925.db2.gz VJAQLWKMZJNZQA-JKSUJKDBSA-N 2 1 338.496 1.048 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC000998018474 705201928 /nfs/dbraw/zinc/20/19/28/705201928.db2.gz VJAQLWKMZJNZQA-JKSUJKDBSA-N 2 1 338.496 1.048 20 0 EDADMP CCN(C(=O)c1cccc2nccn21)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998065987 705278612 /nfs/dbraw/zinc/27/86/12/705278612.db2.gz ZUUPBLBFKZSTJY-HNNXBMFYSA-N 2 1 330.432 1.643 20 0 EDADMP Cc1ncoc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000998081654 705303342 /nfs/dbraw/zinc/30/33/42/705303342.db2.gz KZRIXPHTRKTPKT-AWEZNQCLSA-N 2 1 334.464 1.653 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)ncn1 ZINC000998079657 705304160 /nfs/dbraw/zinc/30/41/60/705304160.db2.gz SNRISOVITXPCLN-RDTXWAMCSA-N 2 1 345.491 1.311 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000998081937 705308862 /nfs/dbraw/zinc/30/88/62/705308862.db2.gz MPMSVUKAYHGDOU-CQSZACIVSA-N 2 1 349.479 1.445 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000998081937 705308866 /nfs/dbraw/zinc/30/88/66/705308866.db2.gz MPMSVUKAYHGDOU-CQSZACIVSA-N 2 1 349.479 1.445 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1)c1nncn1C ZINC000998084099 705314545 /nfs/dbraw/zinc/31/45/45/705314545.db2.gz ZOCRSUWKQSHQBT-HUUCEWRRSA-N 2 1 348.495 1.189 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)co1 ZINC000998217254 705539663 /nfs/dbraw/zinc/53/96/63/705539663.db2.gz NYBPQLGFXUXSBN-INIZCTEOSA-N 2 1 334.464 1.653 20 0 EDADMP Cn1cncc1C[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998217959 705540998 /nfs/dbraw/zinc/54/09/98/705540998.db2.gz UTWPVYDTZVJMTE-MRXNPFEDSA-N 2 1 333.480 1.090 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC000998265408 705632252 /nfs/dbraw/zinc/63/22/52/705632252.db2.gz MGPQYRFNNOAMNK-GDBMZVCRSA-N 2 1 331.464 1.318 20 0 EDADMP CCc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000998267709 705638828 /nfs/dbraw/zinc/63/88/28/705638828.db2.gz ZDPXMPVWMYTANB-MRXNPFEDSA-N 2 1 348.491 1.825 20 0 EDADMP CCc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000998268059 705640173 /nfs/dbraw/zinc/64/01/73/705640173.db2.gz AJYONDHGUXADGP-OAHLLOKOSA-N 2 1 334.464 1.517 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000998287845 705682725 /nfs/dbraw/zinc/68/27/25/705682725.db2.gz QXIGXTDFUNCOLL-QGZVFWFLSA-N 2 1 334.464 1.877 20 0 EDADMP CCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC000998534009 705968318 /nfs/dbraw/zinc/96/83/18/705968318.db2.gz ARDHLOULPYKKHD-ZALBZXLWSA-N 2 1 336.505 1.879 20 0 EDADMP CCc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998588188 706027370 /nfs/dbraw/zinc/02/73/70/706027370.db2.gz YGYWLCLEWJDEEB-CTWPCTMYSA-N 2 1 345.487 1.659 20 0 EDADMP CCc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998588188 706027373 /nfs/dbraw/zinc/02/73/73/706027373.db2.gz YGYWLCLEWJDEEB-CTWPCTMYSA-N 2 1 345.487 1.659 20 0 EDADMP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000998720616 706147452 /nfs/dbraw/zinc/14/74/52/706147452.db2.gz JPWGTIILJQSOOJ-AEFFLSMTSA-N 2 1 331.460 1.870 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998720045 706152362 /nfs/dbraw/zinc/15/23/62/706152362.db2.gz IAURXJAIICJPGV-CABCVRRESA-N 2 1 334.468 1.034 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998720045 706152364 /nfs/dbraw/zinc/15/23/64/706152364.db2.gz IAURXJAIICJPGV-CABCVRRESA-N 2 1 334.468 1.034 20 0 EDADMP Cc1nsc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998723971 706155688 /nfs/dbraw/zinc/15/56/88/706155688.db2.gz SXUNJMSRCNTVIQ-GDBMZVCRSA-N 2 1 336.505 1.935 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc3c(o2)CCCC3)C1 ZINC000998728492 706158679 /nfs/dbraw/zinc/15/86/79/706158679.db2.gz CDQGXRPZBKSDTN-ZBFHGGJFSA-N 2 1 346.475 1.728 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc3c(o2)CCCC3)C1 ZINC000998728492 706158680 /nfs/dbraw/zinc/15/86/80/706158680.db2.gz CDQGXRPZBKSDTN-ZBFHGGJFSA-N 2 1 346.475 1.728 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998790788 706237704 /nfs/dbraw/zinc/23/77/04/706237704.db2.gz FXRKPDMSUSQORD-TWRYWWQQSA-N 2 1 334.464 1.711 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC000998797434 706244382 /nfs/dbraw/zinc/24/43/82/706244382.db2.gz URUOLDLJKMOVEK-XSCHDIRWSA-N 2 1 349.479 1.612 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC000998797434 706244384 /nfs/dbraw/zinc/24/43/84/706244384.db2.gz URUOLDLJKMOVEK-XSCHDIRWSA-N 2 1 349.479 1.612 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(C)nc2C)C1 ZINC000998865997 706295724 /nfs/dbraw/zinc/29/57/24/706295724.db2.gz JCBRQZDDWAAXDE-DAWZGUTISA-N 2 1 347.507 1.682 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2CC)C1 ZINC000998867256 706296932 /nfs/dbraw/zinc/29/69/32/706296932.db2.gz OVWLLVSNHXIXMS-OFLPRAFFSA-N 2 1 347.507 1.856 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nccn3C)C2)C1 ZINC000998897435 706325417 /nfs/dbraw/zinc/32/54/17/706325417.db2.gz DWJYPSFOGHENLK-KLAILNCOSA-N 2 1 347.507 1.477 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ncccn3)C2)C1 ZINC000998899002 706326842 /nfs/dbraw/zinc/32/68/42/706326842.db2.gz PDGMYQZFMTZJRO-KLAILNCOSA-N 2 1 345.491 1.534 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ncccn3)C2)C1 ZINC000998899002 706326843 /nfs/dbraw/zinc/32/68/43/706326843.db2.gz PDGMYQZFMTZJRO-KLAILNCOSA-N 2 1 345.491 1.534 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccon3)C2)C1 ZINC000998887169 706329729 /nfs/dbraw/zinc/32/97/29/706329729.db2.gz HBCZFDPIUSOQBZ-OOHWJJMZSA-N 2 1 334.464 1.732 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccon3)C2)C1 ZINC000998887169 706329731 /nfs/dbraw/zinc/32/97/31/706329731.db2.gz HBCZFDPIUSOQBZ-OOHWJJMZSA-N 2 1 334.464 1.732 20 0 EDADMP Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000998987523 706419462 /nfs/dbraw/zinc/41/94/62/706419462.db2.gz OHVPXTBVYYXQPW-HELAGCTPSA-N 2 1 346.475 1.188 20 0 EDADMP Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000998987523 706419463 /nfs/dbraw/zinc/41/94/63/706419463.db2.gz OHVPXTBVYYXQPW-HELAGCTPSA-N 2 1 346.475 1.188 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cnns3)C[C@H]2CC1 ZINC000946517496 706528516 /nfs/dbraw/zinc/52/85/16/706528516.db2.gz GWPOYTBNFJZMKP-LZWOXQAQSA-N 2 1 349.504 1.303 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cnns3)C[C@H]2CC1 ZINC000946517496 706528519 /nfs/dbraw/zinc/52/85/19/706528519.db2.gz GWPOYTBNFJZMKP-LZWOXQAQSA-N 2 1 349.504 1.303 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cnns3)C[C@H]2CC1 ZINC000946517496 706528522 /nfs/dbraw/zinc/52/85/22/706528522.db2.gz GWPOYTBNFJZMKP-LZWOXQAQSA-N 2 1 349.504 1.303 20 0 EDADMP Cc1csc(C[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC000999128708 706530506 /nfs/dbraw/zinc/53/05/06/706530506.db2.gz YZGYWOJKAKNEBG-UHFFFAOYSA-N 2 1 333.461 1.736 20 0 EDADMP CC[C@H](F)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518219 706579771 /nfs/dbraw/zinc/57/97/71/706579771.db2.gz PZSFSPRNKPJXTM-YVSFHVDLSA-N 2 1 325.472 1.999 20 0 EDADMP CC[C@H](F)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518219 706579772 /nfs/dbraw/zinc/57/97/72/706579772.db2.gz PZSFSPRNKPJXTM-YVSFHVDLSA-N 2 1 325.472 1.999 20 0 EDADMP CC[C@H](F)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946518219 706579773 /nfs/dbraw/zinc/57/97/73/706579773.db2.gz PZSFSPRNKPJXTM-YVSFHVDLSA-N 2 1 325.472 1.999 20 0 EDADMP Cn1cc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)nn1 ZINC000999151754 706580483 /nfs/dbraw/zinc/58/04/83/706580483.db2.gz HRCFZFCPQPXIQI-HNNXBMFYSA-N 2 1 348.495 1.160 20 0 EDADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC000999355219 706844733 /nfs/dbraw/zinc/84/47/33/706844733.db2.gz SXGCFGVYMNZTDM-IRXDYDNUSA-N 2 1 333.480 1.194 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999365689 706879373 /nfs/dbraw/zinc/87/93/73/706879373.db2.gz RIMQGTXNRUSHGX-HNNXBMFYSA-N 2 1 333.480 1.468 20 0 EDADMP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999402691 706910992 /nfs/dbraw/zinc/91/09/92/706910992.db2.gz JAWFLMBNAPHSSE-ODIFPOPNSA-N 2 1 346.475 1.511 20 0 EDADMP CCc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)o1 ZINC000999402574 706911106 /nfs/dbraw/zinc/91/11/06/706911106.db2.gz GVYRHMGLVCCLGQ-WLYUNCDWSA-N 2 1 334.464 1.658 20 0 EDADMP CCc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)o1 ZINC000999402574 706911107 /nfs/dbraw/zinc/91/11/07/706911107.db2.gz GVYRHMGLVCCLGQ-WLYUNCDWSA-N 2 1 334.464 1.658 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)nc1 ZINC000999404392 706913415 /nfs/dbraw/zinc/91/34/15/706913415.db2.gz ZWWNEFWLFAAZSA-IAGOWNOFSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000999404392 706913418 /nfs/dbraw/zinc/91/34/18/706913418.db2.gz ZWWNEFWLFAAZSA-IAGOWNOFSA-N 2 1 345.491 1.740 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000999406155 706915737 /nfs/dbraw/zinc/91/57/37/706915737.db2.gz LCLCWKOXOVUAAY-KSTDHSDQSA-N 2 1 345.491 1.393 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC000999407395 706917215 /nfs/dbraw/zinc/91/72/15/706917215.db2.gz UPNJSOAVPLXFFD-IYXRBSQSSA-N 2 1 335.452 1.195 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC000999407395 706917217 /nfs/dbraw/zinc/91/72/17/706917217.db2.gz UPNJSOAVPLXFFD-IYXRBSQSSA-N 2 1 335.452 1.195 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)o1 ZINC000999407515 706917222 /nfs/dbraw/zinc/91/72/22/706917222.db2.gz WECIFYGNYFKVOS-NFOMZHRRSA-N 2 1 349.479 1.756 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)o1 ZINC000999407515 706917224 /nfs/dbraw/zinc/91/72/24/706917224.db2.gz WECIFYGNYFKVOS-NFOMZHRRSA-N 2 1 349.479 1.756 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999489877 707025872 /nfs/dbraw/zinc/02/58/72/707025872.db2.gz CMVPDTRDNMQPOG-UHFFFAOYSA-N 2 1 344.463 1.519 20 0 EDADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1)C(N)=O ZINC000999558144 707055765 /nfs/dbraw/zinc/05/57/65/707055765.db2.gz SXGCKEJCDQTZTA-KBPBESRZSA-N 2 1 338.496 1.094 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3ccon3)C2)CC1 ZINC000999627921 707152399 /nfs/dbraw/zinc/15/23/99/707152399.db2.gz HIZWWJRNCRDWPB-UHFFFAOYSA-N 2 1 334.464 1.874 20 0 EDADMP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999681441 707166180 /nfs/dbraw/zinc/16/61/80/707166180.db2.gz GLTUIIYIOFXEJI-FAEJEUNOSA-N 2 1 330.476 1.811 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC000999688291 707241675 /nfs/dbraw/zinc/24/16/75/707241675.db2.gz KCIKFVLYPBLUHH-LRVUVFPRSA-N 2 1 329.435 1.953 20 0 EDADMP CN(C(=O)Cn1c[nH+]c2c1CCCC2)[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033269724 707317086 /nfs/dbraw/zinc/31/70/86/707317086.db2.gz UYDAHSQTLBHLLD-HZPDHXFCSA-N 2 1 346.475 1.331 20 0 EDADMP CN(C(=O)Cn1c[nH+]c2c1CCCC2)[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033269724 707317092 /nfs/dbraw/zinc/31/70/92/707317092.db2.gz UYDAHSQTLBHLLD-HZPDHXFCSA-N 2 1 346.475 1.331 20 0 EDADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ncc(Cl)n2C)C1 ZINC000999837638 707408653 /nfs/dbraw/zinc/40/86/53/707408653.db2.gz QJQGMLSWDHOMJU-PNESKVBLSA-N 2 1 339.871 1.104 20 0 EDADMP CC(C)=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001033297083 707410575 /nfs/dbraw/zinc/41/05/75/707410575.db2.gz GGPTVVHVWOXEFK-RBUKOAKNSA-N 2 1 349.519 1.986 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999831256 707461248 /nfs/dbraw/zinc/46/12/48/707461248.db2.gz JULLZELZXJDKKX-ZLPCBKJTSA-N 2 1 347.507 1.803 20 0 EDADMP CC[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001033317579 707504485 /nfs/dbraw/zinc/50/44/85/707504485.db2.gz BMTPLYZBQFCNJW-HZPDHXFCSA-N 2 1 325.497 1.819 20 0 EDADMP CN(C(=O)c1ccccc1C[NH+](C)C)C1CC([NH2+]Cc2cnon2)C1 ZINC000999870497 707512557 /nfs/dbraw/zinc/51/25/57/707512557.db2.gz LWWYRZSNXKOIAT-UHFFFAOYSA-N 2 1 343.431 1.524 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320963 707517635 /nfs/dbraw/zinc/51/76/35/707517635.db2.gz YJBTVCYXCZJCAS-HNNXBMFYSA-N 2 1 334.464 1.890 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320963 707517638 /nfs/dbraw/zinc/51/76/38/707517638.db2.gz YJBTVCYXCZJCAS-HNNXBMFYSA-N 2 1 334.464 1.890 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001033320989 707517927 /nfs/dbraw/zinc/51/79/27/707517927.db2.gz YXZCWGHMWQOVTF-DLBZAZTESA-N 2 1 337.508 1.820 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccnn3C)C2)C1 ZINC001033353623 707608865 /nfs/dbraw/zinc/60/88/65/707608865.db2.gz HRKIEEDSHLOZDC-DLBZAZTESA-N 2 1 347.507 1.575 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccnn3C)C2)C1 ZINC001033353623 707608868 /nfs/dbraw/zinc/60/88/68/707608868.db2.gz HRKIEEDSHLOZDC-DLBZAZTESA-N 2 1 347.507 1.575 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccnn3C)C2)C1 ZINC001033353623 707608872 /nfs/dbraw/zinc/60/88/72/707608872.db2.gz HRKIEEDSHLOZDC-DLBZAZTESA-N 2 1 347.507 1.575 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccnn3C)C2)C1 ZINC001033353623 707608873 /nfs/dbraw/zinc/60/88/73/707608873.db2.gz HRKIEEDSHLOZDC-DLBZAZTESA-N 2 1 347.507 1.575 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[NH+](C(C)C)C3)nn2)CC[N@H+]1C ZINC000999985454 707655860 /nfs/dbraw/zinc/65/58/60/707655860.db2.gz CFCDFHSTNCZTSA-IXDOHACOSA-N 2 1 348.495 1.280 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[N@@H+](C(C)C)C3)nn2)CC[NH+]1C ZINC000999985454 707655864 /nfs/dbraw/zinc/65/58/64/707655864.db2.gz CFCDFHSTNCZTSA-IXDOHACOSA-N 2 1 348.495 1.280 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[N@H+](C(C)C)C3)nn2)CC[NH+]1C ZINC000999985454 707655870 /nfs/dbraw/zinc/65/58/70/707655870.db2.gz CFCDFHSTNCZTSA-IXDOHACOSA-N 2 1 348.495 1.280 20 0 EDADMP Cc1noc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)n1 ZINC001004923879 707662447 /nfs/dbraw/zinc/66/24/47/707662447.db2.gz DNRIFEMZAZZNJZ-BBRMVZONSA-N 2 1 349.479 1.579 20 0 EDADMP C[C@H]([NH2+]Cc1nncn1C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004930432 707679059 /nfs/dbraw/zinc/67/90/59/707679059.db2.gz UDXVPNODYZLFLI-GOEBONIOSA-N 2 1 348.495 1.016 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001033417037 707798847 /nfs/dbraw/zinc/79/88/47/707798847.db2.gz UKGBGGIUCGJGLY-RDJZCZTQSA-N 2 1 346.475 1.607 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001033417037 707798850 /nfs/dbraw/zinc/79/88/50/707798850.db2.gz UKGBGGIUCGJGLY-RDJZCZTQSA-N 2 1 346.475 1.607 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC001033417037 707798853 /nfs/dbraw/zinc/79/88/53/707798853.db2.gz UKGBGGIUCGJGLY-RDJZCZTQSA-N 2 1 346.475 1.607 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)cn1 ZINC001033417037 707798857 /nfs/dbraw/zinc/79/88/57/707798857.db2.gz UKGBGGIUCGJGLY-RDJZCZTQSA-N 2 1 346.475 1.607 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)sn1 ZINC001033419086 707804602 /nfs/dbraw/zinc/80/46/02/707804602.db2.gz GSYWNJAAEKMWAN-HIFRSBDPSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)sn1 ZINC001033419086 707804606 /nfs/dbraw/zinc/80/46/06/707804606.db2.gz GSYWNJAAEKMWAN-HIFRSBDPSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)sn1 ZINC001033419086 707804610 /nfs/dbraw/zinc/80/46/10/707804610.db2.gz GSYWNJAAEKMWAN-HIFRSBDPSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)sn1 ZINC001033419086 707804612 /nfs/dbraw/zinc/80/46/12/707804612.db2.gz GSYWNJAAEKMWAN-HIFRSBDPSA-N 2 1 336.505 1.826 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033422819 707837248 /nfs/dbraw/zinc/83/72/48/707837248.db2.gz LHTMSBRQQGUECY-VQIMIIECSA-N 2 1 347.503 1.972 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]CC[C@@H]3CCCO3)C2)C1 ZINC001000197562 707838301 /nfs/dbraw/zinc/83/83/01/707838301.db2.gz IKYCJIKICXTCJV-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP CN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033423442 707839657 /nfs/dbraw/zinc/83/96/57/707839657.db2.gz QXQLPXIGORHVFC-CQSZACIVSA-N 2 1 338.427 1.776 20 0 EDADMP CN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033423442 707839661 /nfs/dbraw/zinc/83/96/61/707839661.db2.gz QXQLPXIGORHVFC-CQSZACIVSA-N 2 1 338.427 1.776 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423996 707840201 /nfs/dbraw/zinc/84/02/01/707840201.db2.gz WHAIMIJWQXRALX-CRAIPNDOSA-N 2 1 333.476 1.318 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033424403 707841238 /nfs/dbraw/zinc/84/12/38/707841238.db2.gz QZHDMDXGNAYZEB-AEFFLSMTSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033424403 707841241 /nfs/dbraw/zinc/84/12/41/707841241.db2.gz QZHDMDXGNAYZEB-AEFFLSMTSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033424403 707841245 /nfs/dbraw/zinc/84/12/45/707841245.db2.gz QZHDMDXGNAYZEB-AEFFLSMTSA-N 2 1 337.508 1.820 20 0 EDADMP CCn1ccnc1CN[C@@H](C)[C@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001005010413 707928129 /nfs/dbraw/zinc/92/81/29/707928129.db2.gz PYXWOIJPEDDKBL-JKSUJKDBSA-N 2 1 344.463 1.659 20 0 EDADMP CCc1nc(NC[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cc(C)[nH+]1 ZINC001060933692 707952292 /nfs/dbraw/zinc/95/22/92/707952292.db2.gz RFIPCFSYONPOIW-RDTXWAMCSA-N 2 1 345.491 1.948 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc3c(c2)COC3)C1 ZINC001032781813 707970879 /nfs/dbraw/zinc/97/08/79/707970879.db2.gz JNXKDTGYKKWITC-SNRMKQJTSA-N 2 1 341.455 1.454 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc3c(c2)COC3)C1 ZINC001032781813 707970881 /nfs/dbraw/zinc/97/08/81/707970881.db2.gz JNXKDTGYKKWITC-SNRMKQJTSA-N 2 1 341.455 1.454 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc3c(c2)COC3)C1 ZINC001032781813 707970883 /nfs/dbraw/zinc/97/08/83/707970883.db2.gz JNXKDTGYKKWITC-SNRMKQJTSA-N 2 1 341.455 1.454 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc3c(c2)COC3)C1 ZINC001032781813 707970884 /nfs/dbraw/zinc/97/08/84/707970884.db2.gz JNXKDTGYKKWITC-SNRMKQJTSA-N 2 1 341.455 1.454 20 0 EDADMP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001032784612 707985933 /nfs/dbraw/zinc/98/59/33/707985933.db2.gz FDGWVZQNTFTBSS-SZMVWBNQSA-N 2 1 337.508 1.676 20 0 EDADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001032784612 707985934 /nfs/dbraw/zinc/98/59/34/707985934.db2.gz FDGWVZQNTFTBSS-SZMVWBNQSA-N 2 1 337.508 1.676 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)C1 ZINC001000927391 708077503 /nfs/dbraw/zinc/07/75/03/708077503.db2.gz LQMJXQDQGVOSOM-CVEARBPZSA-N 2 1 345.491 1.252 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001005185111 708112485 /nfs/dbraw/zinc/11/24/85/708112485.db2.gz PWUIBYIYZHNYQZ-QZTJIDSGSA-N 2 1 337.508 1.963 20 0 EDADMP CCOC1CC(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001005182038 708127511 /nfs/dbraw/zinc/12/75/11/708127511.db2.gz CDCADVAPVGAJDF-VMWRSERWSA-N 2 1 337.508 1.819 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001033524266 708138079 /nfs/dbraw/zinc/13/80/79/708138079.db2.gz GHPMGPHZCZCCPR-QGZVFWFLSA-N 2 1 333.480 1.148 20 0 EDADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001033592526 708291097 /nfs/dbraw/zinc/29/10/97/708291097.db2.gz AXVHOESVXWQBAP-QZTJIDSGSA-N 2 1 345.487 1.940 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCOc2ccccc2)C1 ZINC001033592526 708291098 /nfs/dbraw/zinc/29/10/98/708291098.db2.gz AXVHOESVXWQBAP-QZTJIDSGSA-N 2 1 345.487 1.940 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCOc2ccccc2)C1 ZINC001033592526 708291099 /nfs/dbraw/zinc/29/10/99/708291099.db2.gz AXVHOESVXWQBAP-QZTJIDSGSA-N 2 1 345.487 1.940 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)ccn1 ZINC001033593886 708294321 /nfs/dbraw/zinc/29/43/21/708294321.db2.gz NQYMQHADSNOJJY-INIZCTEOSA-N 2 1 344.459 1.219 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)ccn1 ZINC001033593886 708294325 /nfs/dbraw/zinc/29/43/25/708294325.db2.gz NQYMQHADSNOJJY-INIZCTEOSA-N 2 1 344.459 1.219 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2cscn2)CC1 ZINC001001826187 708328613 /nfs/dbraw/zinc/32/86/13/708328613.db2.gz SAISONGEOQLRBC-BBRMVZONSA-N 2 1 336.505 1.669 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2cscn2)CC1 ZINC001001826187 708328618 /nfs/dbraw/zinc/32/86/18/708328618.db2.gz SAISONGEOQLRBC-BBRMVZONSA-N 2 1 336.505 1.669 20 0 EDADMP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC001001835722 708340091 /nfs/dbraw/zinc/34/00/91/708340091.db2.gz ZJOQBSJHXARXFH-KSSFIOAISA-N 2 1 345.491 1.311 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)co1 ZINC001001831960 708357445 /nfs/dbraw/zinc/35/74/45/708357445.db2.gz BKORSUUYOBOIPL-CXAGYDPISA-N 2 1 334.464 1.509 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)co1 ZINC001001831960 708357449 /nfs/dbraw/zinc/35/74/49/708357449.db2.gz BKORSUUYOBOIPL-CXAGYDPISA-N 2 1 334.464 1.509 20 0 EDADMP CN(C(=O)[C@@]12CC[NH+](C1)CCC2)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033627176 708367761 /nfs/dbraw/zinc/36/77/61/708367761.db2.gz IWQQOAYBRYFAEG-HKUYNNGSSA-N 2 1 335.492 1.432 20 0 EDADMP CN(C(=O)[C@@]12CC[N@H+](C1)CCC2)[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033627176 708367765 /nfs/dbraw/zinc/36/77/65/708367765.db2.gz IWQQOAYBRYFAEG-HKUYNNGSSA-N 2 1 335.492 1.432 20 0 EDADMP CN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033627176 708367769 /nfs/dbraw/zinc/36/77/69/708367769.db2.gz IWQQOAYBRYFAEG-HKUYNNGSSA-N 2 1 335.492 1.432 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001033658125 708428519 /nfs/dbraw/zinc/42/85/19/708428519.db2.gz PMIAZXNXLRLHMO-QGZVFWFLSA-N 2 1 331.460 1.824 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC001033664076 708445319 /nfs/dbraw/zinc/44/53/19/708445319.db2.gz BSIBRKMZNOZFBB-MRXNPFEDSA-N 2 1 349.450 1.833 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCOc2ccccc2F)C1 ZINC001033664076 708445321 /nfs/dbraw/zinc/44/53/21/708445321.db2.gz BSIBRKMZNOZFBB-MRXNPFEDSA-N 2 1 349.450 1.833 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC001033659148 708470221 /nfs/dbraw/zinc/47/02/21/708470221.db2.gz VMHQZNBGKPYSON-RBUKOAKNSA-N 2 1 345.487 1.219 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033659224 708471227 /nfs/dbraw/zinc/47/12/27/708471227.db2.gz WILKZONSQBNDHK-SFHVURJKSA-N 2 1 331.460 1.307 20 0 EDADMP Cc1cc(CN2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC001002122117 708636464 /nfs/dbraw/zinc/63/64/64/708636464.db2.gz ZHXVVFGPPWBAKN-MRXNPFEDSA-N 2 1 333.480 1.008 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1C ZINC001002122117 708636467 /nfs/dbraw/zinc/63/64/67/708636467.db2.gz ZHXVVFGPPWBAKN-MRXNPFEDSA-N 2 1 333.480 1.008 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC001002122117 708636469 /nfs/dbraw/zinc/63/64/69/708636469.db2.gz ZHXVVFGPPWBAKN-MRXNPFEDSA-N 2 1 333.480 1.008 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001002154571 708669272 /nfs/dbraw/zinc/66/92/72/708669272.db2.gz ARMSYESNSOCAFI-QZTJIDSGSA-N 2 1 337.508 1.726 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033829591 708849942 /nfs/dbraw/zinc/84/99/42/708849942.db2.gz YDFYKHKTPFSJSA-MSOLQXFVSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033829591 708849944 /nfs/dbraw/zinc/84/99/44/708849944.db2.gz YDFYKHKTPFSJSA-MSOLQXFVSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033829591 708849946 /nfs/dbraw/zinc/84/99/46/708849946.db2.gz YDFYKHKTPFSJSA-MSOLQXFVSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001033829591 708849948 /nfs/dbraw/zinc/84/99/48/708849948.db2.gz YDFYKHKTPFSJSA-MSOLQXFVSA-N 2 1 347.507 1.716 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033831467 708853989 /nfs/dbraw/zinc/85/39/89/708853989.db2.gz WLBOOAXKYXDSBW-RBUKOAKNSA-N 2 1 342.487 1.846 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033834372 708861647 /nfs/dbraw/zinc/86/16/47/708861647.db2.gz PWSGXCPVJFFYQO-DJIMGWMZSA-N 2 1 333.480 1.183 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033834372 708861649 /nfs/dbraw/zinc/86/16/49/708861649.db2.gz PWSGXCPVJFFYQO-DJIMGWMZSA-N 2 1 333.480 1.183 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033834372 708861651 /nfs/dbraw/zinc/86/16/51/708861651.db2.gz PWSGXCPVJFFYQO-DJIMGWMZSA-N 2 1 333.480 1.183 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033834372 708861653 /nfs/dbraw/zinc/86/16/53/708861653.db2.gz PWSGXCPVJFFYQO-DJIMGWMZSA-N 2 1 333.480 1.183 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2ncc(C)o2)C1 ZINC001033837751 708867242 /nfs/dbraw/zinc/86/72/42/708867242.db2.gz JIPCNLPMPXWHLK-BZUAXINKSA-N 2 1 334.464 1.746 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccnc2OC)C1 ZINC001034041391 709290218 /nfs/dbraw/zinc/29/02/18/709290218.db2.gz CUJPJWXRJCDAOQ-SJORKVTESA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cccnc2OC)C1 ZINC001034041391 709290220 /nfs/dbraw/zinc/29/02/20/709290220.db2.gz CUJPJWXRJCDAOQ-SJORKVTESA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cccnc2OC)C1 ZINC001034041391 709290222 /nfs/dbraw/zinc/29/02/22/709290222.db2.gz CUJPJWXRJCDAOQ-SJORKVTESA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cccnc2OC)C1 ZINC001034041391 709290224 /nfs/dbraw/zinc/29/02/24/709290224.db2.gz CUJPJWXRJCDAOQ-SJORKVTESA-N 2 1 346.475 1.465 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC001034042008 709291914 /nfs/dbraw/zinc/29/19/14/709291914.db2.gz KBYIKVWVXTZGBT-QZTJIDSGSA-N 2 1 330.476 1.765 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cccnc2C)C1 ZINC001034042008 709291916 /nfs/dbraw/zinc/29/19/16/709291916.db2.gz KBYIKVWVXTZGBT-QZTJIDSGSA-N 2 1 330.476 1.765 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cccnc2C)C1 ZINC001034042008 709291918 /nfs/dbraw/zinc/29/19/18/709291918.db2.gz KBYIKVWVXTZGBT-QZTJIDSGSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ccncc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034136233 709407466 /nfs/dbraw/zinc/40/74/66/709407466.db2.gz JQGKCGWRBYXRKP-ROUUACIJSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1ccncc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034136233 709407468 /nfs/dbraw/zinc/40/74/68/709407468.db2.gz JQGKCGWRBYXRKP-ROUUACIJSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1ccncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034136233 709407469 /nfs/dbraw/zinc/40/74/69/709407469.db2.gz JQGKCGWRBYXRKP-ROUUACIJSA-N 2 1 330.476 1.955 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CCC[C@@H]3CCOC3)C2)CC[N@H+]1C ZINC001032830287 709466950 /nfs/dbraw/zinc/46/69/50/709466950.db2.gz PSIKCMZBYFKKCQ-MHORFTMASA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](CCC[C@@H]3CCOC3)C2)CC[NH+]1C ZINC001032830287 709466951 /nfs/dbraw/zinc/46/69/51/709466951.db2.gz PSIKCMZBYFKKCQ-MHORFTMASA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC[C@@H]3CCOC3)C2)CC[NH+]1C ZINC001032830287 709466953 /nfs/dbraw/zinc/46/69/53/709466953.db2.gz PSIKCMZBYFKKCQ-MHORFTMASA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061180795 709479216 /nfs/dbraw/zinc/47/92/16/709479216.db2.gz UGFBHKBTHPZJSF-HOTGVXAUSA-N 2 1 331.464 1.615 20 0 EDADMP Cc1cc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061180795 709479219 /nfs/dbraw/zinc/47/92/19/709479219.db2.gz UGFBHKBTHPZJSF-HOTGVXAUSA-N 2 1 331.464 1.615 20 0 EDADMP O=C(CCN1CCOCC1)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2CC1 ZINC000946824610 709547835 /nfs/dbraw/zinc/54/78/35/709547835.db2.gz WKAUKBGSIOKHPQ-KDURUIRLSA-N 2 1 349.519 1.679 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2CC1 ZINC000946824610 709547840 /nfs/dbraw/zinc/54/78/40/709547840.db2.gz WKAUKBGSIOKHPQ-KDURUIRLSA-N 2 1 349.519 1.679 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2CC1 ZINC000946824610 709547843 /nfs/dbraw/zinc/54/78/43/709547843.db2.gz WKAUKBGSIOKHPQ-KDURUIRLSA-N 2 1 349.519 1.679 20 0 EDADMP CCn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034214980 709568223 /nfs/dbraw/zinc/56/82/23/709568223.db2.gz STBMHSQVTYOJMN-BFYDXBDKSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034214980 709568224 /nfs/dbraw/zinc/56/82/24/709568224.db2.gz STBMHSQVTYOJMN-BFYDXBDKSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1nncc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214980 709568226 /nfs/dbraw/zinc/56/82/26/709568226.db2.gz STBMHSQVTYOJMN-BFYDXBDKSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1nncc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034214980 709568227 /nfs/dbraw/zinc/56/82/27/709568227.db2.gz STBMHSQVTYOJMN-BFYDXBDKSA-N 2 1 348.495 1.109 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cncn2)C1 ZINC001034238864 709620628 /nfs/dbraw/zinc/62/06/28/709620628.db2.gz GHWDSXLAUGSBAL-DLBZAZTESA-N 2 1 348.495 1.123 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCn2cncn2)C1 ZINC001034238864 709620631 /nfs/dbraw/zinc/62/06/31/709620631.db2.gz GHWDSXLAUGSBAL-DLBZAZTESA-N 2 1 348.495 1.123 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCn2cncn2)C1 ZINC001034238864 709620633 /nfs/dbraw/zinc/62/06/33/709620633.db2.gz GHWDSXLAUGSBAL-DLBZAZTESA-N 2 1 348.495 1.123 20 0 EDADMP CCc1nc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc(C)[nH+]1 ZINC001061213950 709737634 /nfs/dbraw/zinc/73/76/34/709737634.db2.gz JNCMNVVGWUNHQD-CVEARBPZSA-N 2 1 345.491 1.726 20 0 EDADMP CCc1nc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc(C)[nH+]1 ZINC001061213950 709737637 /nfs/dbraw/zinc/73/76/37/709737637.db2.gz JNCMNVVGWUNHQD-CVEARBPZSA-N 2 1 345.491 1.726 20 0 EDADMP COC[C@H](C)[N@@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034313188 709759553 /nfs/dbraw/zinc/75/95/53/709759553.db2.gz YXDVNMRPIVCXBJ-HOTGVXAUSA-N 2 1 348.491 1.768 20 0 EDADMP COC[C@H](C)[N@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034313188 709759554 /nfs/dbraw/zinc/75/95/54/709759554.db2.gz YXDVNMRPIVCXBJ-HOTGVXAUSA-N 2 1 348.491 1.768 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCCN(Cc3cncn3C)C2)CC[N@H+]1C ZINC001034365334 709887143 /nfs/dbraw/zinc/88/71/43/709887143.db2.gz ZRVWITFZKQPGPO-YESZJQIVSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cncn3C)C2)CC[N@@H+]1C ZINC001034365334 709887147 /nfs/dbraw/zinc/88/71/47/709887147.db2.gz ZRVWITFZKQPGPO-YESZJQIVSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cncn3C)C2)CC[N@H+]1C ZINC001034365334 709887152 /nfs/dbraw/zinc/88/71/52/709887152.db2.gz ZRVWITFZKQPGPO-YESZJQIVSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cncn3C)C2)CC[NH+]1C ZINC001034365334 709887157 /nfs/dbraw/zinc/88/71/57/709887157.db2.gz ZRVWITFZKQPGPO-YESZJQIVSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cncn3C)C2)CC[NH+]1C ZINC001034365334 709887162 /nfs/dbraw/zinc/88/71/62/709887162.db2.gz ZRVWITFZKQPGPO-YESZJQIVSA-N 2 1 347.507 1.621 20 0 EDADMP Cn1cc(C[N@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001034386502 709915151 /nfs/dbraw/zinc/91/51/51/709915151.db2.gz SEXQNUSKYJKFGB-QGZVFWFLSA-N 2 1 333.480 1.233 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034436833 710011322 /nfs/dbraw/zinc/01/13/22/710011322.db2.gz UIYFDKGROKQPKO-QGZVFWFLSA-N 2 1 335.496 1.829 20 0 EDADMP CCn1cc(CC[NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001003159597 710068430 /nfs/dbraw/zinc/06/84/30/710068430.db2.gz MKXZBYJQGLJRLK-GOSISDBHSA-N 2 1 347.507 1.510 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](C[C@@H](O)c3ccccc3)C2)CC[N@H+]1C ZINC001032836467 710146191 /nfs/dbraw/zinc/14/61/91/710146191.db2.gz WHCGDAYDHDCCIF-FCGDIQPGSA-N 2 1 345.487 1.641 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)CC[NH+]1C ZINC001032836467 710146195 /nfs/dbraw/zinc/14/61/95/710146195.db2.gz WHCGDAYDHDCCIF-FCGDIQPGSA-N 2 1 345.487 1.641 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](C[C@@H](O)c3ccccc3)C2)CC[NH+]1C ZINC001032836467 710146199 /nfs/dbraw/zinc/14/61/99/710146199.db2.gz WHCGDAYDHDCCIF-FCGDIQPGSA-N 2 1 345.487 1.641 20 0 EDADMP COc1ncccc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525666 710176102 /nfs/dbraw/zinc/17/61/02/710176102.db2.gz OJKSQMYBXPUMRJ-NVXWUHKLSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ncccc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525666 710176104 /nfs/dbraw/zinc/17/61/04/710176104.db2.gz OJKSQMYBXPUMRJ-NVXWUHKLSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ncccc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034525666 710176108 /nfs/dbraw/zinc/17/61/08/710176108.db2.gz OJKSQMYBXPUMRJ-NVXWUHKLSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ncccc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034525666 710176112 /nfs/dbraw/zinc/17/61/12/710176112.db2.gz OJKSQMYBXPUMRJ-NVXWUHKLSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001034529452 710184367 /nfs/dbraw/zinc/18/43/67/710184367.db2.gz HLFUEHZPLLIBME-DLBZAZTESA-N 2 1 348.491 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001034529452 710184370 /nfs/dbraw/zinc/18/43/70/710184370.db2.gz HLFUEHZPLLIBME-DLBZAZTESA-N 2 1 348.491 1.977 20 0 EDADMP COCC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538901 710212067 /nfs/dbraw/zinc/21/20/67/710212067.db2.gz VUEQNTVIMAPROF-GOSISDBHSA-N 2 1 333.476 1.979 20 0 EDADMP Cn1nccc1CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001034607430 710271057 /nfs/dbraw/zinc/27/10/57/710271057.db2.gz PCOVIWNGJKOXEK-ZOBUZTSGSA-N 2 1 333.480 1.074 20 0 EDADMP Cc1nc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC001034647226 710323552 /nfs/dbraw/zinc/32/35/52/710323552.db2.gz AQFXBURCKBZGQQ-CCECPURYSA-N 2 1 349.479 1.796 20 0 EDADMP Cc1nc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC001034647226 710323555 /nfs/dbraw/zinc/32/35/55/710323555.db2.gz AQFXBURCKBZGQQ-CCECPURYSA-N 2 1 349.479 1.796 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001034654526 710329246 /nfs/dbraw/zinc/32/92/46/710329246.db2.gz YGWWQSIXCNMYHS-TVFCKZIOSA-N 2 1 335.492 1.667 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC001003547801 710414089 /nfs/dbraw/zinc/41/40/89/710414089.db2.gz MQCIRATYQFOODX-UHFFFAOYSA-N 2 1 331.464 1.207 20 0 EDADMP Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001034674319 710622872 /nfs/dbraw/zinc/62/28/72/710622872.db2.gz MSFQVIWGPDVMBL-ULQDDVLXSA-N 2 1 333.480 1.421 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001005594474 710655548 /nfs/dbraw/zinc/65/55/48/710655548.db2.gz ZLBBVTRQDUDJRS-SJLPKXTDSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nccn3C)CC2)CC[N@H+]1C ZINC001034716660 710859230 /nfs/dbraw/zinc/85/92/30/710859230.db2.gz PDIAJLWTFNOWBQ-QAETUUGQSA-N 2 1 347.507 1.667 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001034734473 710916164 /nfs/dbraw/zinc/91/61/64/710916164.db2.gz PCGPXIHUQZDLGG-RBSFLKMASA-N 2 1 349.479 1.491 20 0 EDADMP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001034734473 710916168 /nfs/dbraw/zinc/91/61/68/710916168.db2.gz PCGPXIHUQZDLGG-RBSFLKMASA-N 2 1 349.479 1.491 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC001034734800 710917787 /nfs/dbraw/zinc/91/77/87/710917787.db2.gz ZHLNIJKVSKVQGV-DJIMGWMZSA-N 2 1 345.491 1.644 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001034735701 710922106 /nfs/dbraw/zinc/92/21/06/710922106.db2.gz MFBOTVQFHDKBEL-FVQBIDKESA-N 2 1 334.464 1.984 20 0 EDADMP Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)nn1 ZINC001034736195 710922815 /nfs/dbraw/zinc/92/28/15/710922815.db2.gz SJEDKGPIHLJZDG-SHTZXODSSA-N 2 1 348.495 1.064 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034736589 710923903 /nfs/dbraw/zinc/92/39/03/710923903.db2.gz XPVJDGPQDIUWHZ-BZUAXINKSA-N 2 1 331.464 1.478 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)CC1 ZINC001034739255 710933576 /nfs/dbraw/zinc/93/35/76/710933576.db2.gz ZQWBTABEZWRJIW-YFHUEUNASA-N 2 1 347.507 1.177 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001034737028 710948392 /nfs/dbraw/zinc/94/83/92/710948392.db2.gz GUVAMHSCRSMOFG-YFHUEUNASA-N 2 1 347.507 1.618 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001034737558 710950273 /nfs/dbraw/zinc/95/02/73/710950273.db2.gz MLIZVWQDHSIZRF-YXWQFLTLSA-N 2 1 336.505 1.858 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001034738612 710954285 /nfs/dbraw/zinc/95/42/85/710954285.db2.gz UOTYPRKQNHBPGZ-KCYZZUKISA-N 2 1 348.495 1.013 20 0 EDADMP CCc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032975295 711064392 /nfs/dbraw/zinc/06/43/92/711064392.db2.gz HDWSQVNXPCDAKT-MOPGFXCFSA-N 2 1 345.487 1.612 20 0 EDADMP CCc1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032975295 711064396 /nfs/dbraw/zinc/06/43/96/711064396.db2.gz HDWSQVNXPCDAKT-MOPGFXCFSA-N 2 1 345.487 1.612 20 0 EDADMP CCc1ccccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032975295 711064399 /nfs/dbraw/zinc/06/43/99/711064399.db2.gz HDWSQVNXPCDAKT-MOPGFXCFSA-N 2 1 345.487 1.612 20 0 EDADMP CCc1ccccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032975295 711064401 /nfs/dbraw/zinc/06/44/01/711064401.db2.gz HDWSQVNXPCDAKT-MOPGFXCFSA-N 2 1 345.487 1.612 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034778644 711081973 /nfs/dbraw/zinc/08/19/73/711081973.db2.gz KWPLYVKAVRIBHR-BRWVUGGUSA-N 2 1 347.507 1.762 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003977848 711150816 /nfs/dbraw/zinc/15/08/16/711150816.db2.gz YTAVICUJZOGXDI-GJZGRUSLSA-N 2 1 331.464 1.460 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003977848 711150820 /nfs/dbraw/zinc/15/08/20/711150820.db2.gz YTAVICUJZOGXDI-GJZGRUSLSA-N 2 1 331.464 1.460 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC001003978766 711155688 /nfs/dbraw/zinc/15/56/88/711155688.db2.gz IRZBWVPLGAPWGU-UHFFFAOYSA-N 2 1 344.459 1.267 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)c(C)o1 ZINC001034957426 711428899 /nfs/dbraw/zinc/42/88/99/711428899.db2.gz UCHDSEWKBONHRR-OAHLLOKOSA-N 2 1 334.464 1.856 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC001034958106 711431063 /nfs/dbraw/zinc/43/10/63/711431063.db2.gz ACTVLIWSULEQQM-DLBZAZTESA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC001034958106 711431067 /nfs/dbraw/zinc/43/10/67/711431067.db2.gz ACTVLIWSULEQQM-DLBZAZTESA-N 2 1 348.495 1.159 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)[C@@H]1C(C)C ZINC000922391990 711456997 /nfs/dbraw/zinc/45/69/97/711456997.db2.gz IXWKPMBGFNZDKC-FTEYMNFISA-N 2 1 345.487 1.745 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3c4c(nn3C)CCC4)C2)[C@H]1C(C)C ZINC000922394579 711461032 /nfs/dbraw/zinc/46/10/32/711461032.db2.gz OQQOLMZIBAFOTL-VBSBHUPXSA-N 2 1 346.519 1.868 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922516638 711635763 /nfs/dbraw/zinc/63/57/63/711635763.db2.gz SQRWWJYSFUMIJN-OWCLPIDISA-N 2 1 342.553 1.986 20 0 EDADMP CC(C)(C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1)[NH+]1CCCC1 ZINC001004505211 711893399 /nfs/dbraw/zinc/89/33/99/711893399.db2.gz GERTYFZAIHEILJ-QGZVFWFLSA-N 2 1 337.508 1.556 20 0 EDADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004501668 711902070 /nfs/dbraw/zinc/90/20/70/711902070.db2.gz ZIFLKHHANGMKQX-OALUTQOASA-N 2 1 349.519 1.556 20 0 EDADMP C[NH+]1CCC(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CCO)CC2)CC1 ZINC001004567682 711987619 /nfs/dbraw/zinc/98/76/19/711987619.db2.gz KYTWULDWFINUPA-SFHVURJKSA-N 2 1 337.508 1.414 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CCN(Cc2ccon2)C1 ZINC001033146156 712010401 /nfs/dbraw/zinc/01/04/01/712010401.db2.gz OBAJWACMRBWYEP-IRXDYDNUSA-N 2 1 334.464 1.970 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]2CC1)[NH+](C)C ZINC000946633094 712054182 /nfs/dbraw/zinc/05/41/82/712054182.db2.gz HXDMHHDZUNVSGQ-NXOAAHMSSA-N 2 1 325.497 1.124 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CCC([C@H]2CCC[N@H+]2C[C@H]2CCOC2)CC1 ZINC001004617509 712077524 /nfs/dbraw/zinc/07/75/24/712077524.db2.gz QVGJEVCHTXEVAQ-IEBWSBKVSA-N 2 1 349.519 1.822 20 0 EDADMP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1Br ZINC000053299119 214176895 /nfs/dbraw/zinc/17/68/95/214176895.db2.gz WCQBSCFGTGHPFG-UHFFFAOYSA-N 2 1 340.265 1.703 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1Br ZINC000053299119 214176898 /nfs/dbraw/zinc/17/68/98/214176898.db2.gz WCQBSCFGTGHPFG-UHFFFAOYSA-N 2 1 340.265 1.703 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCC[C@@H]1CC(N)=O)c1ccccc1 ZINC000158273731 282171265 /nfs/dbraw/zinc/17/12/65/282171265.db2.gz LSEJJMAAUPRLII-SJORKVTESA-N 2 1 346.475 1.135 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000342140599 282212875 /nfs/dbraw/zinc/21/28/75/282212875.db2.gz WFJBPFDYKBUKCH-JQFCIGGWSA-N 2 1 331.464 1.848 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000342140599 282212876 /nfs/dbraw/zinc/21/28/76/282212876.db2.gz WFJBPFDYKBUKCH-JQFCIGGWSA-N 2 1 331.464 1.848 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@H+](C)CC2(C)COC2)cc[nH+]1 ZINC000348157358 282324301 /nfs/dbraw/zinc/32/43/01/282324301.db2.gz HPLLFTJXMWKDRA-ZIAGYGMSSA-N 2 1 337.443 1.428 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)CC2(C)COC2)cc[nH+]1 ZINC000348157358 282324303 /nfs/dbraw/zinc/32/43/03/282324303.db2.gz HPLLFTJXMWKDRA-ZIAGYGMSSA-N 2 1 337.443 1.428 20 0 EDADMP CC1(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000561188383 306284106 /nfs/dbraw/zinc/28/41/06/306284106.db2.gz DNSWAEIKDFRIHT-CVEARBPZSA-N 2 1 338.496 1.319 20 0 EDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@]1(N2CCOCC2)CCSC1 ZINC000339068458 539699881 /nfs/dbraw/zinc/69/98/81/539699881.db2.gz QJFNFWLLWYLVQT-ZACQAIPSSA-N 2 1 325.522 1.411 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000151051839 539734296 /nfs/dbraw/zinc/73/42/96/539734296.db2.gz AREAEPMYCGEVOC-CVEARBPZSA-N 2 1 328.501 1.517 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000151051839 539734303 /nfs/dbraw/zinc/73/43/03/539734303.db2.gz AREAEPMYCGEVOC-CVEARBPZSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(-n2cnnn2)c1 ZINC000151353490 539750734 /nfs/dbraw/zinc/75/07/34/539750734.db2.gz KRDCEDFMGKVLET-CQSZACIVSA-N 2 1 330.436 1.160 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152568801 539821229 /nfs/dbraw/zinc/82/12/29/539821229.db2.gz HXOMXKMTPUTWJJ-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152568801 539821232 /nfs/dbraw/zinc/82/12/32/539821232.db2.gz HXOMXKMTPUTWJJ-HZPDHXFCSA-N 2 1 326.485 1.127 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000152657139 539824548 /nfs/dbraw/zinc/82/45/48/539824548.db2.gz PCPIMIWUDVHELO-GOEBONIOSA-N 2 1 326.485 1.127 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000152657139 539824552 /nfs/dbraw/zinc/82/45/52/539824552.db2.gz PCPIMIWUDVHELO-GOEBONIOSA-N 2 1 326.485 1.127 20 0 EDADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)cc1 ZINC000346920831 539860351 /nfs/dbraw/zinc/86/03/51/539860351.db2.gz LQIIKKZPEZOKPU-ULQDDVLXSA-N 2 1 335.448 1.133 20 0 EDADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)cc1 ZINC000346920831 539860355 /nfs/dbraw/zinc/86/03/55/539860355.db2.gz LQIIKKZPEZOKPU-ULQDDVLXSA-N 2 1 335.448 1.133 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000351615005 539917031 /nfs/dbraw/zinc/91/70/31/539917031.db2.gz KCZCQFMBAISJGM-CVEARBPZSA-N 2 1 327.517 1.042 20 0 EDADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000563208048 306323572 /nfs/dbraw/zinc/32/35/72/306323572.db2.gz VKAYLVWRLNITOR-NBMRYCAZSA-N 2 1 330.476 1.796 20 0 EDADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000563208048 306323573 /nfs/dbraw/zinc/32/35/73/306323573.db2.gz VKAYLVWRLNITOR-NBMRYCAZSA-N 2 1 330.476 1.796 20 0 EDADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000347881329 283051589 /nfs/dbraw/zinc/05/15/89/283051589.db2.gz YAVJIZZBXUTCJT-QAPCUYQASA-N 2 1 335.496 1.603 20 0 EDADMP CCC[NH+](C)CC(=O)N(C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000347881329 283051591 /nfs/dbraw/zinc/05/15/91/283051591.db2.gz YAVJIZZBXUTCJT-QAPCUYQASA-N 2 1 335.496 1.603 20 0 EDADMP CCC[NH+](C)CC(=O)N(C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000347881329 283051595 /nfs/dbraw/zinc/05/15/95/283051595.db2.gz YAVJIZZBXUTCJT-QAPCUYQASA-N 2 1 335.496 1.603 20 0 EDADMP CCc1ccccc1NC(=O)CNC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000563276151 306325917 /nfs/dbraw/zinc/32/59/17/306325917.db2.gz ZMJUJQSEVHTVBA-UHFFFAOYSA-N 2 1 346.475 1.365 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1=O ZINC000075834295 138244243 /nfs/dbraw/zinc/24/42/43/138244243.db2.gz ICOBNYNIYCYIJE-OAHLLOKOSA-N 2 1 336.480 1.515 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1=O ZINC000075834295 138244244 /nfs/dbraw/zinc/24/42/44/138244244.db2.gz ICOBNYNIYCYIJE-OAHLLOKOSA-N 2 1 336.480 1.515 20 0 EDADMP CC[N@H+](CCO)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000076944362 138250414 /nfs/dbraw/zinc/25/04/14/138250414.db2.gz UINJTKKQVHGAQO-UHFFFAOYSA-N 2 1 333.476 1.344 20 0 EDADMP CC[N@@H+](CCO)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000076944362 138250415 /nfs/dbraw/zinc/25/04/15/138250415.db2.gz UINJTKKQVHGAQO-UHFFFAOYSA-N 2 1 333.476 1.344 20 0 EDADMP CC[NH+](CCO)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000076944362 138250416 /nfs/dbraw/zinc/25/04/16/138250416.db2.gz UINJTKKQVHGAQO-UHFFFAOYSA-N 2 1 333.476 1.344 20 0 EDADMP CC[NH+](CCO)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000076944362 138250417 /nfs/dbraw/zinc/25/04/17/138250417.db2.gz UINJTKKQVHGAQO-UHFFFAOYSA-N 2 1 333.476 1.344 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000081233740 138265741 /nfs/dbraw/zinc/26/57/41/138265741.db2.gz XJWAMICFBNEDKJ-GOSISDBHSA-N 2 1 331.460 1.619 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000081233740 138265742 /nfs/dbraw/zinc/26/57/42/138265742.db2.gz XJWAMICFBNEDKJ-GOSISDBHSA-N 2 1 331.460 1.619 20 0 EDADMP C[N@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)C[C@H]2C1 ZINC000192473549 283209943 /nfs/dbraw/zinc/20/99/43/283209943.db2.gz ZGTOEBNKAKPSSF-SCTDSRPQSA-N 2 1 343.471 1.204 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)C[C@H]2C1 ZINC000192473549 283209945 /nfs/dbraw/zinc/20/99/45/283209945.db2.gz ZGTOEBNKAKPSSF-SCTDSRPQSA-N 2 1 343.471 1.204 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000106546292 138303167 /nfs/dbraw/zinc/30/31/67/138303167.db2.gz BDKVDJOSJQKSFK-INIZCTEOSA-N 2 1 338.496 1.413 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000563614863 306341955 /nfs/dbraw/zinc/34/19/55/306341955.db2.gz BFSVCIKLNBUECW-SIXWZSSISA-N 2 1 346.475 1.678 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000350004627 283351324 /nfs/dbraw/zinc/35/13/24/283351324.db2.gz DUFUPKNPCYDEMQ-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000350004627 283351329 /nfs/dbraw/zinc/35/13/29/283351329.db2.gz DUFUPKNPCYDEMQ-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497215771 283352807 /nfs/dbraw/zinc/35/28/07/283352807.db2.gz SRINJEVUTJTMKT-RHSMWYFYSA-N 2 1 329.485 1.584 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c2C1 ZINC000564212129 306357189 /nfs/dbraw/zinc/35/71/89/306357189.db2.gz XCCYOKYPNWTKDH-CHWSQXEVSA-N 2 1 332.448 1.593 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c2C1 ZINC000564212129 306357190 /nfs/dbraw/zinc/35/71/90/306357190.db2.gz XCCYOKYPNWTKDH-CHWSQXEVSA-N 2 1 332.448 1.593 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000564547654 306360354 /nfs/dbraw/zinc/36/03/54/306360354.db2.gz UJNWAXWAXPLNCJ-UHFFFAOYSA-N 2 1 346.475 1.663 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173923562 237269513 /nfs/dbraw/zinc/26/95/13/237269513.db2.gz AQFFEHIMPOCDEW-OAHLLOKOSA-N 2 1 336.484 1.783 20 0 EDADMP C[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000129504749 223063605 /nfs/dbraw/zinc/06/36/05/223063605.db2.gz NGJOFQHDYTUCQI-INIZCTEOSA-N 2 1 330.476 1.638 20 0 EDADMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000343842005 296037932 /nfs/dbraw/zinc/03/79/32/296037932.db2.gz AERUTYQUEJZPPL-QEJZJMRPSA-N 2 1 327.419 1.707 20 0 EDADMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000343842005 296037933 /nfs/dbraw/zinc/03/79/33/296037933.db2.gz AERUTYQUEJZPPL-QEJZJMRPSA-N 2 1 327.419 1.707 20 0 EDADMP C[NH+](C)[C@@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)C1CCCCC1 ZINC000565591343 306387385 /nfs/dbraw/zinc/38/73/85/306387385.db2.gz OLRGEGXCYVSZBG-CSLYMUCUSA-N 2 1 336.480 1.607 20 0 EDADMP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@H]2C1 ZINC000566015005 306396609 /nfs/dbraw/zinc/39/66/09/306396609.db2.gz DMQJPDLJHFEGHD-BHYGNILZSA-N 2 1 332.448 1.076 20 0 EDADMP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@H]2C1 ZINC000566015005 306396610 /nfs/dbraw/zinc/39/66/10/306396610.db2.gz DMQJPDLJHFEGHD-BHYGNILZSA-N 2 1 332.448 1.076 20 0 EDADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000566092517 306398537 /nfs/dbraw/zinc/39/85/37/306398537.db2.gz HGMQEVSUZWPVRT-BBRMVZONSA-N 2 1 341.477 1.477 20 0 EDADMP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414702415 304129731 /nfs/dbraw/zinc/12/97/31/304129731.db2.gz WXUZLFIWKKPHQI-HRCADAONSA-N 2 1 339.480 1.108 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)C1 ZINC000414701331 304130043 /nfs/dbraw/zinc/13/00/43/304130043.db2.gz GVTGLJGEYXILPC-OALUTQOASA-N 2 1 345.487 1.517 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444174461 284004495 /nfs/dbraw/zinc/00/44/95/284004495.db2.gz XBQVMMFUTUVNBH-PKOBYXMFSA-N 2 1 329.444 1.135 20 0 EDADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCS(=O)(=O)CC1 ZINC000354333744 296122036 /nfs/dbraw/zinc/12/20/36/296122036.db2.gz JQQIAYHIGBBBLV-GDBMZVCRSA-N 2 1 332.510 1.026 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@H]3CCC[NH2+]C3)c2)C1 ZINC000415092642 304159170 /nfs/dbraw/zinc/15/91/70/304159170.db2.gz UBHQZPKDRRRCPA-OALUTQOASA-N 3 1 344.503 1.473 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC[C@H]3CCC[NH2+]C3)c2)C1 ZINC000415092642 304159173 /nfs/dbraw/zinc/15/91/73/304159173.db2.gz UBHQZPKDRRRCPA-OALUTQOASA-N 2 1 344.503 1.473 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC[C@H]3CCC[NH2+]C3)c2)C1 ZINC000415092642 304159174 /nfs/dbraw/zinc/15/91/74/304159174.db2.gz UBHQZPKDRRRCPA-OALUTQOASA-N 2 1 344.503 1.473 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)[C@H](C)N2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000101660357 204018364 /nfs/dbraw/zinc/01/83/64/204018364.db2.gz VTCJRBIQAXXMLR-FUHWJXTLSA-N 2 1 332.492 1.350 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)COc3ccccc3)C2)CC1 ZINC000107370275 204236553 /nfs/dbraw/zinc/23/65/53/204236553.db2.gz YEJSTHIMOFRLHV-MSOLQXFVSA-N 2 1 333.476 1.138 20 0 EDADMP Cc1c(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000236609923 139026902 /nfs/dbraw/zinc/02/69/02/139026902.db2.gz BZFRRBFOUOWKGB-OAHLLOKOSA-N 2 1 348.495 1.361 20 0 EDADMP CC(C)C[C@H](CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000236629788 139027297 /nfs/dbraw/zinc/02/72/97/139027297.db2.gz RQXJWVUVRSAVKR-RCCFBDPRSA-N 2 1 339.524 1.875 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000236955114 139036375 /nfs/dbraw/zinc/03/63/75/139036375.db2.gz SRJAHRIDGPOMCN-SFHVURJKSA-N 2 1 330.476 1.192 20 0 EDADMP CC[C@H](NC(=O)CCC[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236993366 139037343 /nfs/dbraw/zinc/03/73/43/139037343.db2.gz VDBUZXUETMTEPE-ZWKOTPCHSA-N 2 1 333.476 1.782 20 0 EDADMP CC[C@H](NC(=O)CCC[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236993366 139037344 /nfs/dbraw/zinc/03/73/44/139037344.db2.gz VDBUZXUETMTEPE-ZWKOTPCHSA-N 2 1 333.476 1.782 20 0 EDADMP C[C@@H](CC(=O)NCC1CCN(CC[NH+](C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237411615 139050416 /nfs/dbraw/zinc/05/04/16/139050416.db2.gz DDQIJRAPGLDXPR-FUHWJXTLSA-N 2 1 338.540 1.402 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000132646745 205335314 /nfs/dbraw/zinc/33/53/14/205335314.db2.gz ZMMILWDHJODAHU-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000132646745 205335319 /nfs/dbraw/zinc/33/53/19/205335319.db2.gz ZMMILWDHJODAHU-ZWKOTPCHSA-N 2 1 331.460 1.440 20 0 EDADMP [NH3+]C1(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000237763632 139059821 /nfs/dbraw/zinc/05/98/21/139059821.db2.gz ABTOZWWAGMTSOC-QGZVFWFLSA-N 2 1 331.460 1.665 20 0 EDADMP [NH3+]C1(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000237763632 139059822 /nfs/dbraw/zinc/05/98/22/139059822.db2.gz ABTOZWWAGMTSOC-QGZVFWFLSA-N 2 1 331.460 1.665 20 0 EDADMP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000081256835 217374332 /nfs/dbraw/zinc/37/43/32/217374332.db2.gz LXESOXKTPAHRFZ-SFHVURJKSA-N 2 1 349.475 1.354 20 0 EDADMP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000081256835 217374334 /nfs/dbraw/zinc/37/43/34/217374334.db2.gz LXESOXKTPAHRFZ-SFHVURJKSA-N 2 1 349.475 1.354 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415233203 304177268 /nfs/dbraw/zinc/17/72/68/304177268.db2.gz VHQMYMKEDBZTIQ-AWEZNQCLSA-N 2 1 334.464 1.581 20 0 EDADMP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000243545813 139070483 /nfs/dbraw/zinc/07/04/83/139070483.db2.gz OHKYCKRSYAPODT-UHFFFAOYSA-N 2 1 344.503 1.590 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415251794 304179292 /nfs/dbraw/zinc/17/92/92/304179292.db2.gz AFIWAQNRYOHFOK-QGZVFWFLSA-N 2 1 344.459 1.212 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245716970 139084269 /nfs/dbraw/zinc/08/42/69/139084269.db2.gz CYSQMSAEVPTYQQ-WMZOPIPTSA-N 2 1 347.507 1.481 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245716970 139084270 /nfs/dbraw/zinc/08/42/70/139084270.db2.gz CYSQMSAEVPTYQQ-WMZOPIPTSA-N 2 1 347.507 1.481 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245716970 139084271 /nfs/dbraw/zinc/08/42/71/139084271.db2.gz CYSQMSAEVPTYQQ-WMZOPIPTSA-N 2 1 347.507 1.481 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245716970 139084272 /nfs/dbraw/zinc/08/42/72/139084272.db2.gz CYSQMSAEVPTYQQ-WMZOPIPTSA-N 2 1 347.507 1.481 20 0 EDADMP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)[NH3+] ZINC000157758931 206153818 /nfs/dbraw/zinc/15/38/18/206153818.db2.gz HMBFQXZFVQUASR-GDBMZVCRSA-N 2 1 327.432 1.924 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000245972740 139091471 /nfs/dbraw/zinc/09/14/71/139091471.db2.gz OGUHHIBBWOGXGB-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000246212375 139099422 /nfs/dbraw/zinc/09/94/22/139099422.db2.gz FXKDGROTOQZSFK-RDJZCZTQSA-N 2 1 325.497 1.629 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)CCO1 ZINC000246228285 139100192 /nfs/dbraw/zinc/10/01/92/139100192.db2.gz HMGOMXOOPWXLHQ-LMSBXDPUSA-N 2 1 335.492 1.619 20 0 EDADMP CN(CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)S(=O)(=O)c1cccs1 ZINC000246418143 139107663 /nfs/dbraw/zinc/10/76/63/139107663.db2.gz NAOHORALSMWKGY-KGLIPLIRSA-N 2 1 343.518 1.585 20 0 EDADMP CN(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)S(=O)(=O)c1cccs1 ZINC000246418143 139107664 /nfs/dbraw/zinc/10/76/64/139107664.db2.gz NAOHORALSMWKGY-KGLIPLIRSA-N 2 1 343.518 1.585 20 0 EDADMP CN(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)S(=O)(=O)c1cccs1 ZINC000246418143 139107665 /nfs/dbraw/zinc/10/76/65/139107665.db2.gz NAOHORALSMWKGY-KGLIPLIRSA-N 2 1 343.518 1.585 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246746368 139119922 /nfs/dbraw/zinc/11/99/22/139119922.db2.gz LDJUCYICVWACSH-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCCCC[NH+]3CCOCC3)CC[C@H]21 ZINC000246956162 139128269 /nfs/dbraw/zinc/12/82/69/139128269.db2.gz OBEZRAQOOFBICS-DLBZAZTESA-N 2 1 338.496 1.225 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCS[C@H]3COCC[C@H]32)CC1 ZINC000246972133 139129158 /nfs/dbraw/zinc/12/91/58/139129158.db2.gz OPGYFYDBIFUHRO-CVEARBPZSA-N 2 1 341.521 1.182 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCS[C@H]3COCC[C@H]32)CC1 ZINC000246972133 139129159 /nfs/dbraw/zinc/12/91/59/139129159.db2.gz OPGYFYDBIFUHRO-CVEARBPZSA-N 2 1 341.521 1.182 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000247033685 139132458 /nfs/dbraw/zinc/13/24/58/139132458.db2.gz RFZKALVTDOKUGW-CVEARBPZSA-N 2 1 348.491 1.170 20 0 EDADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cnc1N1CCOCC1 ZINC000248858651 139177935 /nfs/dbraw/zinc/17/79/35/139177935.db2.gz PNHWNSHSAVRMAK-CVEARBPZSA-N 2 1 334.439 1.774 20 0 EDADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cnc1N1CCOCC1 ZINC000248858651 139177936 /nfs/dbraw/zinc/17/79/36/139177936.db2.gz PNHWNSHSAVRMAK-CVEARBPZSA-N 2 1 334.439 1.774 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnccc2OC)[C@@H](C)C1 ZINC000249170695 139188392 /nfs/dbraw/zinc/18/83/92/139188392.db2.gz LFUBDOMTEWKENA-JSGCOSHPSA-N 2 1 334.420 1.217 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1)CC[NH2+]CC2 ZINC000333634049 296294425 /nfs/dbraw/zinc/29/44/25/296294425.db2.gz WGBJIIPKUDSRRZ-HUUCEWRRSA-N 2 1 329.510 1.122 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1F ZINC000261770329 139224456 /nfs/dbraw/zinc/22/44/56/139224456.db2.gz MICPBZVOPNPCRP-SCLBCKFNSA-N 2 1 337.439 1.852 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)cc1F ZINC000261770329 139224457 /nfs/dbraw/zinc/22/44/57/139224457.db2.gz MICPBZVOPNPCRP-SCLBCKFNSA-N 2 1 337.439 1.852 20 0 EDADMP Cc1nc2ccc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cc2s1 ZINC000262038203 139245667 /nfs/dbraw/zinc/24/56/67/139245667.db2.gz XYHCSBGBNIDLEC-CQSZACIVSA-N 2 1 332.473 1.892 20 0 EDADMP Cc1cccn2c(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cnc12 ZINC000262025280 139244675 /nfs/dbraw/zinc/24/46/75/139244675.db2.gz NMFYBHWEZXOHPH-HNNXBMFYSA-N 2 1 329.448 1.462 20 0 EDADMP Cc1cccn2c(C[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cnc12 ZINC000262025280 139244676 /nfs/dbraw/zinc/24/46/76/139244676.db2.gz NMFYBHWEZXOHPH-HNNXBMFYSA-N 2 1 329.448 1.462 20 0 EDADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000414944611 250896067 /nfs/dbraw/zinc/89/60/67/250896067.db2.gz QGFKLPWVIRQQMO-WMLDXEAASA-N 2 1 331.460 1.679 20 0 EDADMP Cc1cccc(OCC[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000262210575 139260196 /nfs/dbraw/zinc/26/01/96/139260196.db2.gz LOQRMDCREOLGRG-HKUYNNGSSA-N 2 1 345.487 1.954 20 0 EDADMP Cc1ccc([C@@H]2CSCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000262224025 139261401 /nfs/dbraw/zinc/26/14/01/139261401.db2.gz UTWVAELSBMQAAS-KRWDZBQOSA-N 2 1 333.501 1.907 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N[C@H]1CCCC[NH2+]C1 ZINC000417017008 251133875 /nfs/dbraw/zinc/13/38/75/251133875.db2.gz GNABJWRNLNTMMB-SFHVURJKSA-N 2 1 330.476 1.876 20 0 EDADMP CC[C@@H](CNC(=O)N1CCC[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000417020701 251136745 /nfs/dbraw/zinc/13/67/45/251136745.db2.gz SLHDTYRMFIDQFL-ROUUACIJSA-N 2 1 330.476 1.956 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC[C@@H]([NH3+])C3)c2)CCO1 ZINC000417268751 251151718 /nfs/dbraw/zinc/15/17/18/251151718.db2.gz KGLVQJZWTPMUER-CRAIPNDOSA-N 2 1 346.475 1.540 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC[C@@H]([NH3+])C3)c2)CCO1 ZINC000417268751 251151722 /nfs/dbraw/zinc/15/17/22/251151722.db2.gz KGLVQJZWTPMUER-CRAIPNDOSA-N 2 1 346.475 1.540 20 0 EDADMP [NH3+]CC1(C(=O)N2CC[NH+](CCc3cccs3)CC2)CCOCC1 ZINC000262383794 139275016 /nfs/dbraw/zinc/27/50/16/139275016.db2.gz XGYOYVBTSFQBRG-UHFFFAOYSA-N 2 1 337.489 1.190 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC2)[nH+]1 ZINC000417708059 251237116 /nfs/dbraw/zinc/23/71/16/251237116.db2.gz YBHOFCLXYPVULY-USXIJHARSA-N 2 1 343.475 1.738 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000262453669 139280060 /nfs/dbraw/zinc/28/00/60/139280060.db2.gz UYLOQALSVBLKAL-NRSFXHEJSA-N 2 1 331.460 1.221 20 0 EDADMP C[C@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417731122 251247173 /nfs/dbraw/zinc/24/71/73/251247173.db2.gz RKKKTGFVTDQSAA-QGZVFWFLSA-N 2 1 348.491 1.515 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC([NH3+])CC1 ZINC000417737070 251248661 /nfs/dbraw/zinc/24/86/61/251248661.db2.gz VKIKXIQIMMWITC-MRXNPFEDSA-N 2 1 345.491 1.330 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@]1(C)CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000417833114 251291000 /nfs/dbraw/zinc/29/10/00/251291000.db2.gz UEFSHSKXXOUXIY-GOSISDBHSA-N 2 1 336.455 1.946 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000417847031 251295255 /nfs/dbraw/zinc/29/52/55/251295255.db2.gz UNVVJCFOBJBJTC-BPQIPLTHSA-N 2 1 346.475 1.409 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)Cc1ccc(F)cc1 ZINC000417821254 251282928 /nfs/dbraw/zinc/28/29/28/251282928.db2.gz IJLSDPZHPOXACJ-SFHVURJKSA-N 2 1 334.439 1.653 20 0 EDADMP CC[NH2+]CCNC(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417882352 251313285 /nfs/dbraw/zinc/31/32/85/251313285.db2.gz DSAWYLFRQLVSMA-ZWKOTPCHSA-N 2 1 348.491 1.575 20 0 EDADMP CC[NH2+]CCNC(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417882352 251313290 /nfs/dbraw/zinc/31/32/90/251313290.db2.gz DSAWYLFRQLVSMA-ZWKOTPCHSA-N 2 1 348.491 1.575 20 0 EDADMP C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000418115405 251329017 /nfs/dbraw/zinc/32/90/17/251329017.db2.gz OFOQONDFKLNOIA-PMPSAXMXSA-N 2 1 326.485 1.175 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418429696 251368769 /nfs/dbraw/zinc/36/87/69/251368769.db2.gz SKXRTLFXBDDHJD-IRXDYDNUSA-N 2 1 348.491 1.439 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000418193647 251352966 /nfs/dbraw/zinc/35/29/66/251352966.db2.gz CLXGYRBUTIBBTA-BHYGNILZSA-N 2 1 340.512 1.643 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@H](C)CCCC[NH3+])C[C@@H]1CC ZINC000418716425 251394818 /nfs/dbraw/zinc/39/48/18/251394818.db2.gz YYJALJAVXGHWOR-CVEARBPZSA-N 2 1 328.501 1.646 20 0 EDADMP CCc1ccc([C@H](CNC(=O)[C@H]([NH2+]C)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000262572223 139287514 /nfs/dbraw/zinc/28/75/14/139287514.db2.gz SNSMASIOBQJPFO-ZWKOTPCHSA-N 2 1 343.475 1.662 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000418531582 251377572 /nfs/dbraw/zinc/37/75/72/251377572.db2.gz BLXCCTYPYBBJQJ-LJQANCHMSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418688290 251385758 /nfs/dbraw/zinc/38/57/58/251385758.db2.gz MYBWHLOHOYYUAI-KBAYOESNSA-N 2 1 348.491 1.296 20 0 EDADMP C[C@@H]([NH3+])CCC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000262705020 139297545 /nfs/dbraw/zinc/29/75/45/139297545.db2.gz BKKVIGKGGYEYPU-QGZVFWFLSA-N 2 1 332.492 1.438 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262736364 139299986 /nfs/dbraw/zinc/29/99/86/139299986.db2.gz FXTUQMNWIQBRSD-RYQLBKOJSA-N 2 1 331.460 1.616 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262736364 139299987 /nfs/dbraw/zinc/29/99/87/139299987.db2.gz FXTUQMNWIQBRSD-RYQLBKOJSA-N 2 1 331.460 1.616 20 0 EDADMP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[C@@H](C[NH3+])OC)CC2)c1 ZINC000262869985 139309321 /nfs/dbraw/zinc/30/93/21/139309321.db2.gz MFQMLHCVGRHIRO-PBHICJAKSA-N 2 1 335.448 1.264 20 0 EDADMP C[C@H]([NH3+])CCC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000262885629 139310530 /nfs/dbraw/zinc/31/05/30/139310530.db2.gz WKHBVRZQWDQFRP-SFHVURJKSA-N 2 1 346.519 1.828 20 0 EDADMP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423321113 252045242 /nfs/dbraw/zinc/04/52/42/252045242.db2.gz MSFFRRIYGZBNGK-CYBMUJFWSA-N 2 1 331.869 1.508 20 0 EDADMP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423321114 252046329 /nfs/dbraw/zinc/04/63/29/252046329.db2.gz MSFFRRIYGZBNGK-ZDUSSCGKSA-N 2 1 331.869 1.508 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000423801636 252080992 /nfs/dbraw/zinc/08/09/92/252080992.db2.gz UDAQETLLXOHHFI-QAPCUYQASA-N 2 1 325.497 1.711 20 0 EDADMP [NH3+][C@H]1CCc2nc(NC(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)sc2C1 ZINC000424179374 252154381 /nfs/dbraw/zinc/15/43/81/252154381.db2.gz SVKXPJTYAJVSLG-UWVGGRQHSA-N 2 1 346.460 1.402 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000424463566 252237769 /nfs/dbraw/zinc/23/77/69/252237769.db2.gz HPYOZTVEKDHMMJ-ZDUSSCGKSA-N 2 1 330.432 1.159 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424482676 252249253 /nfs/dbraw/zinc/24/92/53/252249253.db2.gz VALMOXHBKPKUIE-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC[C@H]3CCC[NH2+]3)c2C1 ZINC000415623281 304240955 /nfs/dbraw/zinc/24/09/55/304240955.db2.gz GHFWMJIUAMFRLV-OAHLLOKOSA-N 2 1 344.459 1.609 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC[C@H]3CCC[NH2+]3)c2C1 ZINC000415623281 304240956 /nfs/dbraw/zinc/24/09/56/304240956.db2.gz GHFWMJIUAMFRLV-OAHLLOKOSA-N 2 1 344.459 1.609 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1 ZINC000458377717 285020136 /nfs/dbraw/zinc/02/01/36/285020136.db2.gz WJFIAUHIRLDLSI-HZPDHXFCSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000458377717 285020138 /nfs/dbraw/zinc/02/01/38/285020138.db2.gz WJFIAUHIRLDLSI-HZPDHXFCSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000458377717 285020141 /nfs/dbraw/zinc/02/01/41/285020141.db2.gz WJFIAUHIRLDLSI-HZPDHXFCSA-N 2 1 326.485 1.221 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000111811524 285023880 /nfs/dbraw/zinc/02/38/80/285023880.db2.gz XTMUJEWMTBLJSH-QGZVFWFLSA-N 2 1 340.512 1.517 20 0 EDADMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000263122576 139323647 /nfs/dbraw/zinc/32/36/47/139323647.db2.gz BCFAYQHMGXNDDO-APWZRJJASA-N 2 1 349.438 1.604 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000347048708 285055304 /nfs/dbraw/zinc/05/53/04/285055304.db2.gz QRFVSPQQQINIAI-IAGOWNOFSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000347048708 285055305 /nfs/dbraw/zinc/05/53/05/285055305.db2.gz QRFVSPQQQINIAI-IAGOWNOFSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000347048708 285055306 /nfs/dbraw/zinc/05/53/06/285055306.db2.gz QRFVSPQQQINIAI-IAGOWNOFSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C[NH2+]CC3CC3)c2)CCO1 ZINC000263254453 139331156 /nfs/dbraw/zinc/33/11/56/139331156.db2.gz KJFYEWMJYGREQO-HNNXBMFYSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C[NH2+]CC3CC3)c2)CCO1 ZINC000263254453 139331157 /nfs/dbraw/zinc/33/11/57/139331157.db2.gz KJFYEWMJYGREQO-HNNXBMFYSA-N 2 1 331.460 1.523 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487574959 255033316 /nfs/dbraw/zinc/03/33/16/255033316.db2.gz PUZOXVFOGXNDPC-IAGOWNOFSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000494702048 255258680 /nfs/dbraw/zinc/25/86/80/255258680.db2.gz HAUYQMFGHPZOCS-GOEBONIOSA-N 2 1 334.464 1.226 20 0 EDADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000495685337 255315274 /nfs/dbraw/zinc/31/52/74/255315274.db2.gz DQHRZTNFCJVKHS-YMAMQOFZSA-N 2 1 329.485 1.582 20 0 EDADMP CN(C[C@@H](O)C[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496459549 255394173 /nfs/dbraw/zinc/39/41/73/255394173.db2.gz IKIPBEKSZLSORN-PESDSKBTSA-N 2 1 327.469 1.429 20 0 EDADMP CN(C[C@@H](O)C[N@@H+](C)C1CC(NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496459549 255394174 /nfs/dbraw/zinc/39/41/74/255394174.db2.gz IKIPBEKSZLSORN-PESDSKBTSA-N 2 1 327.469 1.429 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCOCC1 ZINC000345756217 285279670 /nfs/dbraw/zinc/27/96/70/285279670.db2.gz ABLLZALOAPGVIB-SJORKVTESA-N 2 1 325.497 1.678 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417756146 285318710 /nfs/dbraw/zinc/31/87/10/285318710.db2.gz RWUDOMBWFBZPRO-DOTOQJQBSA-N 2 1 339.528 1.077 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171388120 533228385 /nfs/dbraw/zinc/22/83/85/533228385.db2.gz ZKWBGCWZGDDICX-AWEZNQCLSA-N 2 1 338.496 1.807 20 0 EDADMP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000353779739 285333197 /nfs/dbraw/zinc/33/31/97/285333197.db2.gz RBRGIKRHKPYFLV-ROUUACIJSA-N 2 1 346.519 1.649 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000357258523 285384226 /nfs/dbraw/zinc/38/42/26/285384226.db2.gz DWFPLEYXMXECJK-SJORKVTESA-N 2 1 325.497 1.678 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000357258523 285384227 /nfs/dbraw/zinc/38/42/27/285384227.db2.gz DWFPLEYXMXECJK-SJORKVTESA-N 2 1 325.497 1.678 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000415906723 304284958 /nfs/dbraw/zinc/28/49/58/304284958.db2.gz LMAAXUILUHPXQP-HNNXBMFYSA-N 2 1 334.464 1.886 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000415915547 304285260 /nfs/dbraw/zinc/28/52/60/304285260.db2.gz FUXZCNBGUKDPME-OAHLLOKOSA-N 2 1 333.480 1.411 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000267062520 139580320 /nfs/dbraw/zinc/58/03/20/139580320.db2.gz ACTKYXGTRSAYNX-QAPCUYQASA-N 2 1 333.476 1.641 20 0 EDADMP O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@H]1CCC[NH+](CCCO)C1 ZINC000416239995 304299353 /nfs/dbraw/zinc/29/93/53/304299353.db2.gz MIXJSYGNWSFJRV-IBGZPJMESA-N 2 1 345.487 1.398 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)N[C@H]1CCC[NH+](CCCO)C1 ZINC000416239995 304299355 /nfs/dbraw/zinc/29/93/55/304299355.db2.gz MIXJSYGNWSFJRV-IBGZPJMESA-N 2 1 345.487 1.398 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000271159525 140248479 /nfs/dbraw/zinc/24/84/79/140248479.db2.gz WAXYAOZWQILZMW-IAGOWNOFSA-N 2 1 345.487 1.518 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C[C@H]2[C@H](C)O)CC1 ZINC000331277659 141002391 /nfs/dbraw/zinc/00/23/91/141002391.db2.gz GHTMAPQLRTXKTQ-VYDXJSESSA-N 2 1 325.497 1.457 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000333358949 141305238 /nfs/dbraw/zinc/30/52/38/141305238.db2.gz CONWGXADUCGCLD-BBWFWOEESA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000333466934 141321940 /nfs/dbraw/zinc/32/19/40/141321940.db2.gz ACACAXNPXMQJFX-WRNCNIFXSA-N 2 1 342.487 1.886 20 0 EDADMP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000333788561 141381875 /nfs/dbraw/zinc/38/18/75/141381875.db2.gz VXDMSFSTFMTYNF-CQSZACIVSA-N 2 1 330.436 1.389 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000333788561 141381878 /nfs/dbraw/zinc/38/18/78/141381878.db2.gz VXDMSFSTFMTYNF-CQSZACIVSA-N 2 1 330.436 1.389 20 0 EDADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000496147097 296524455 /nfs/dbraw/zinc/52/44/55/296524455.db2.gz NUMKYAMQHXYSNM-ILXRZTDVSA-N 2 1 329.485 1.534 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333917858 141409537 /nfs/dbraw/zinc/40/95/37/141409537.db2.gz NYOBFULLIHWXJO-BRWVUGGUSA-N 2 1 338.496 1.127 20 0 EDADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262004212 292072106 /nfs/dbraw/zinc/07/21/06/292072106.db2.gz UUMHCOPUYIYXHL-KURKYZTESA-N 2 1 331.460 1.472 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)C(C)C ZINC000339609338 142092281 /nfs/dbraw/zinc/09/22/81/142092281.db2.gz VVRPYUICPOFRIO-UHFFFAOYSA-N 2 1 340.512 1.212 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000339941061 142206867 /nfs/dbraw/zinc/20/68/67/142206867.db2.gz CMOOWLQQHABRST-JYJNAYRXSA-N 2 1 342.528 1.904 20 0 EDADMP Cc1nc(CC[NH+](C)C/C=C\C[N@@H+](C)CCc2noc(C)n2)no1 ZINC000340198874 142300484 /nfs/dbraw/zinc/30/04/84/142300484.db2.gz SYAAJSIZHSNPMC-WAYWQWQTSA-N 2 1 334.424 1.274 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000345172449 143060884 /nfs/dbraw/zinc/06/08/84/143060884.db2.gz XMBMNLYMVRECPO-QGZVFWFLSA-N 2 1 341.544 1.243 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCOCC[NH+](C)C ZINC000346163212 143173943 /nfs/dbraw/zinc/17/39/43/143173943.db2.gz LHWQVTTXLKIUNX-AEFFLSMTSA-N 2 1 333.476 1.449 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC1CCC1 ZINC000346434786 143204536 /nfs/dbraw/zinc/20/45/36/143204536.db2.gz JRZZRQAMZDVNGX-QGZVFWFLSA-N 2 1 345.553 1.854 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC1CCC1 ZINC000346434786 143204537 /nfs/dbraw/zinc/20/45/37/143204537.db2.gz JRZZRQAMZDVNGX-QGZVFWFLSA-N 2 1 345.553 1.854 20 0 EDADMP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347099125 143282551 /nfs/dbraw/zinc/28/25/51/143282551.db2.gz KKQYKSTXCXAQFD-FUHWJXTLSA-N 2 1 337.508 1.583 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000347164085 143289723 /nfs/dbraw/zinc/28/97/23/143289723.db2.gz PGSLLMMSDVSHIN-SJLPKXTDSA-N 2 1 348.491 1.435 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000347164085 143289724 /nfs/dbraw/zinc/28/97/24/143289724.db2.gz PGSLLMMSDVSHIN-SJLPKXTDSA-N 2 1 348.491 1.435 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000347164085 143289725 /nfs/dbraw/zinc/28/97/25/143289725.db2.gz PGSLLMMSDVSHIN-SJLPKXTDSA-N 2 1 348.491 1.435 20 0 EDADMP CC(C)[N@H+]1CCc2nc(CN3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)sc2C1 ZINC000347277569 143302846 /nfs/dbraw/zinc/30/28/46/143302846.db2.gz WBMRSLWVZUNUCC-DCGLDWPTSA-N 2 1 348.516 1.995 20 0 EDADMP CC(C)N1CCc2nc(CN3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)sc2C1 ZINC000347277569 143302847 /nfs/dbraw/zinc/30/28/47/143302847.db2.gz WBMRSLWVZUNUCC-DCGLDWPTSA-N 2 1 348.516 1.995 20 0 EDADMP C[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000347384155 143315328 /nfs/dbraw/zinc/31/53/28/143315328.db2.gz YGZVLBSZLADZGR-IRXDYDNUSA-N 2 1 325.497 1.868 20 0 EDADMP C[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000347384155 143315329 /nfs/dbraw/zinc/31/53/29/143315329.db2.gz YGZVLBSZLADZGR-IRXDYDNUSA-N 2 1 325.497 1.868 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000347444511 143321826 /nfs/dbraw/zinc/32/18/26/143321826.db2.gz MYPSVRPRHLIRKG-UHFFFAOYSA-N 2 1 340.443 1.001 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1nnc2n1CCCCC2 ZINC000369755528 155162885 /nfs/dbraw/zinc/16/28/85/155162885.db2.gz ROQGAXNOFHKFDP-UHFFFAOYSA-N 2 1 334.512 1.462 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369779410 155172585 /nfs/dbraw/zinc/17/25/85/155172585.db2.gz VYNMUCROKPFCFM-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CC[NH+](CC)CC1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000352721276 149128326 /nfs/dbraw/zinc/12/83/26/149128326.db2.gz LWVBSJYOFXLXKQ-UHFFFAOYSA-N 2 1 342.553 1.799 20 0 EDADMP C[N@@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352920987 149216195 /nfs/dbraw/zinc/21/61/95/149216195.db2.gz CQFREALHPWHIMN-JZWPEALZSA-N 2 1 329.510 1.215 20 0 EDADMP C[NH+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352920987 149216196 /nfs/dbraw/zinc/21/61/96/149216196.db2.gz CQFREALHPWHIMN-JZWPEALZSA-N 2 1 329.510 1.215 20 0 EDADMP C[NH+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352920987 149216199 /nfs/dbraw/zinc/21/61/99/149216199.db2.gz CQFREALHPWHIMN-JZWPEALZSA-N 2 1 329.510 1.215 20 0 EDADMP CCN1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000369928331 155238994 /nfs/dbraw/zinc/23/89/94/155238994.db2.gz QDDAJTBPPMQEIL-OFQRWUPVSA-N 2 1 337.489 1.578 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2cccs2)C1 ZINC000369928331 155239001 /nfs/dbraw/zinc/23/90/01/155239001.db2.gz QDDAJTBPPMQEIL-OFQRWUPVSA-N 2 1 337.489 1.578 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000369928331 155239003 /nfs/dbraw/zinc/23/90/03/155239003.db2.gz QDDAJTBPPMQEIL-OFQRWUPVSA-N 2 1 337.489 1.578 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000369928331 155239007 /nfs/dbraw/zinc/23/90/07/155239007.db2.gz QDDAJTBPPMQEIL-OFQRWUPVSA-N 2 1 337.489 1.578 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N(C)CC[NH3+])cc2)C[C@H](C)O1 ZINC000416974076 304358538 /nfs/dbraw/zinc/35/85/38/304358538.db2.gz WDVAPRJDSDCLJN-GASCZTMLSA-N 2 1 334.464 1.396 20 0 EDADMP CCSCC[NH2+]C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354929527 150038700 /nfs/dbraw/zinc/03/87/00/150038700.db2.gz VVLMJNRCERAWCD-CHWSQXEVSA-N 2 1 327.473 1.802 20 0 EDADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000355048572 150091409 /nfs/dbraw/zinc/09/14/09/150091409.db2.gz YSGBINMNSHBXRL-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CC[NH+](CC)CC(=O)N1CC[NH+](CCCCCn2cccn2)CC1 ZINC000355393857 150250527 /nfs/dbraw/zinc/25/05/27/150250527.db2.gz AMXHVPGOQTUAGA-UHFFFAOYSA-N 2 1 335.496 1.539 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000417033793 304363639 /nfs/dbraw/zinc/36/36/39/304363639.db2.gz FRMRQAFBVGGUFM-XHSDSOJGSA-N 2 1 326.485 1.032 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NCC[C@H]1CC[NH2+]C1 ZINC000417039042 304364721 /nfs/dbraw/zinc/36/47/21/304364721.db2.gz URSGDKPJRHCKDX-MRXNPFEDSA-N 2 1 330.476 1.734 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417042268 304365194 /nfs/dbraw/zinc/36/51/94/304365194.db2.gz NGEFLRJBMREPOE-NUJGCVRESA-N 2 1 345.491 1.328 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000357699620 151119872 /nfs/dbraw/zinc/11/98/72/151119872.db2.gz TZJJTEHYEZGDEA-UHFFFAOYSA-N 2 1 336.480 1.028 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000357877168 151180594 /nfs/dbraw/zinc/18/05/94/151180594.db2.gz UGXGHPPEGXUBEK-BPQIPLTHSA-N 2 1 333.476 1.823 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000357877168 151180596 /nfs/dbraw/zinc/18/05/96/151180596.db2.gz UGXGHPPEGXUBEK-BPQIPLTHSA-N 2 1 333.476 1.823 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000358017722 151236566 /nfs/dbraw/zinc/23/65/66/151236566.db2.gz IJPRFVTVXGHBFD-MJGOQNOKSA-N 2 1 345.487 1.736 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc(CN[C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000358079282 151262049 /nfs/dbraw/zinc/26/20/49/151262049.db2.gz DMQYYLWKWJWNSP-YOEHRIQHSA-N 2 1 339.505 1.757 20 0 EDADMP CCOc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)ccc1OC(F)F ZINC000358149338 151288897 /nfs/dbraw/zinc/28/88/97/151288897.db2.gz YZTTWSGDHNIKFL-INIZCTEOSA-N 2 1 330.375 1.843 20 0 EDADMP CCOc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)ccc1OC(F)F ZINC000358149338 151288899 /nfs/dbraw/zinc/28/88/99/151288899.db2.gz YZTTWSGDHNIKFL-INIZCTEOSA-N 2 1 330.375 1.843 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000358230571 151312737 /nfs/dbraw/zinc/31/27/37/151312737.db2.gz YBLPFPADSSKSRR-QRQLOZEOSA-N 2 1 345.487 1.470 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000358259094 151319211 /nfs/dbraw/zinc/31/92/11/151319211.db2.gz UGUNBWYGUQJJKV-GOSISDBHSA-N 2 1 337.895 1.961 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000358259094 151319213 /nfs/dbraw/zinc/31/92/13/151319213.db2.gz UGUNBWYGUQJJKV-GOSISDBHSA-N 2 1 337.895 1.961 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000358287309 151326088 /nfs/dbraw/zinc/32/60/88/151326088.db2.gz BXFBFRBAAUDOFV-IAGOWNOFSA-N 2 1 340.512 1.253 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000358463829 151385826 /nfs/dbraw/zinc/38/58/26/151385826.db2.gz IHFNLWIZKLDEAY-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCCN(C)C(=O)NC1CC[NH+](C2CC2)CC1)CC[NH+](C)C ZINC000358463829 151385827 /nfs/dbraw/zinc/38/58/27/151385827.db2.gz IHFNLWIZKLDEAY-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358497251 151394793 /nfs/dbraw/zinc/39/47/93/151394793.db2.gz ATKHCUUMROSSGC-UHFFFAOYSA-N 2 1 331.460 1.729 20 0 EDADMP CS(=O)(=O)c1ccc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358508633 151399530 /nfs/dbraw/zinc/39/95/30/151399530.db2.gz LNIJRUCFCVXQSD-UHFFFAOYSA-N 2 1 338.473 1.544 20 0 EDADMP C[NH2+]C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000417112578 304373150 /nfs/dbraw/zinc/37/31/50/304373150.db2.gz MKPYCEWHOWHBTO-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H](C)[NH3+] ZINC000417144519 304377388 /nfs/dbraw/zinc/37/73/88/304377388.db2.gz IFVWEGDIOSQODW-NWDGAFQWSA-N 2 1 340.418 1.964 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NCC[N@H+](C)C2CC2)[C@H](C)C1 ZINC000360855897 152230787 /nfs/dbraw/zinc/23/07/87/152230787.db2.gz FVUYXIJSRUUDLK-NVXWUHKLSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+](C)C2CC2)[C@H](C)C1 ZINC000360855897 152230788 /nfs/dbraw/zinc/23/07/88/152230788.db2.gz FVUYXIJSRUUDLK-NVXWUHKLSA-N 2 1 340.512 1.517 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](CC)C1 ZINC000360889936 152242616 /nfs/dbraw/zinc/24/26/16/152242616.db2.gz VOJOMSBQLZNXIJ-GVDBMIGSSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000360889936 152242617 /nfs/dbraw/zinc/24/26/17/152242617.db2.gz VOJOMSBQLZNXIJ-GVDBMIGSSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000360889936 152242619 /nfs/dbraw/zinc/24/26/19/152242619.db2.gz VOJOMSBQLZNXIJ-GVDBMIGSSA-N 2 1 342.528 1.593 20 0 EDADMP Cc1nnc(CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)n1C1CC1 ZINC000363711585 153036260 /nfs/dbraw/zinc/03/62/60/153036260.db2.gz ZEJCFWBCRJDOOP-KBRIMQKVSA-N 2 1 333.480 1.900 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000417186054 304382022 /nfs/dbraw/zinc/38/20/22/304382022.db2.gz SBQGIZAQHCRJAE-DLBZAZTESA-N 2 1 327.432 1.718 20 0 EDADMP Cc1[nH+]ccn1-c1cccc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)n1 ZINC000363988401 153115975 /nfs/dbraw/zinc/11/59/75/153115975.db2.gz WITFBCYRESOEMG-CQSZACIVSA-N 2 1 329.448 1.857 20 0 EDADMP Cc1[nH+]ccn1-c1cccc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)n1 ZINC000363988401 153115978 /nfs/dbraw/zinc/11/59/78/153115978.db2.gz WITFBCYRESOEMG-CQSZACIVSA-N 2 1 329.448 1.857 20 0 EDADMP Cn1nccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccnn1C)CC2 ZINC000364080177 153140410 /nfs/dbraw/zinc/14/04/10/153140410.db2.gz DUFPWLHKCIGAPK-UHFFFAOYSA-N 2 1 328.464 1.642 20 0 EDADMP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000364725978 153315273 /nfs/dbraw/zinc/31/52/73/153315273.db2.gz HICIBVOXKQKULJ-CVEARBPZSA-N 2 1 334.464 1.665 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000364852145 153350928 /nfs/dbraw/zinc/35/09/28/153350928.db2.gz SFLNEAQSAZCODU-XHSDSOJGSA-N 2 1 329.488 1.965 20 0 EDADMP CC(C)n1ncnc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000364856951 153351875 /nfs/dbraw/zinc/35/18/75/153351875.db2.gz WDJFZMBERRBNHZ-SJPCQFCGSA-N 2 1 332.496 1.602 20 0 EDADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000417237165 304386932 /nfs/dbraw/zinc/38/69/32/304386932.db2.gz IIOKENQMXCDBKL-YOEHRIQHSA-N 2 1 328.476 1.840 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000417237165 304386933 /nfs/dbraw/zinc/38/69/33/304386933.db2.gz IIOKENQMXCDBKL-YOEHRIQHSA-N 2 1 328.476 1.840 20 0 EDADMP CC(=O)NCCCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367143494 154020354 /nfs/dbraw/zinc/02/03/54/154020354.db2.gz IURQZZFEYPWAQM-HXUWFJFHSA-N 2 1 344.503 1.405 20 0 EDADMP CC(=O)NCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367143494 154020359 /nfs/dbraw/zinc/02/03/59/154020359.db2.gz IURQZZFEYPWAQM-HXUWFJFHSA-N 2 1 344.503 1.405 20 0 EDADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@@H](O)CN1CCCC1=O)CC2)C1CC1 ZINC000367208002 154041927 /nfs/dbraw/zinc/04/19/27/154041927.db2.gz FWXKSINNJBQTGI-DOTOQJQBSA-N 2 1 335.492 1.166 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)CC1 ZINC000367381331 154095847 /nfs/dbraw/zinc/09/58/47/154095847.db2.gz XREHKXWOQWSFDO-BZSNNMDCSA-N 2 1 337.508 1.678 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)CC1 ZINC000367381331 154095851 /nfs/dbraw/zinc/09/58/51/154095851.db2.gz XREHKXWOQWSFDO-BZSNNMDCSA-N 2 1 337.508 1.678 20 0 EDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1cc(N2CCCC2)ncn1 ZINC000367824288 154286325 /nfs/dbraw/zinc/28/63/25/154286325.db2.gz GQPDEFSYVMUNAC-OAHLLOKOSA-N 2 1 331.464 1.766 20 0 EDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COCc3ccc4c(c3)OCO4)C2)C1 ZINC000367846282 154297093 /nfs/dbraw/zinc/29/70/93/154297093.db2.gz LPVQAHCVDWKAJY-APWZRJJASA-N 2 1 348.443 1.320 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)COCc3ccc4c(c3)OCO4)C2)C1 ZINC000367846282 154297098 /nfs/dbraw/zinc/29/70/98/154297098.db2.gz LPVQAHCVDWKAJY-APWZRJJASA-N 2 1 348.443 1.320 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)COCc3ccc4c(c3)OCO4)C2)C1 ZINC000367846282 154297103 /nfs/dbraw/zinc/29/71/03/154297103.db2.gz LPVQAHCVDWKAJY-APWZRJJASA-N 2 1 348.443 1.320 20 0 EDADMP CCS(=O)(=O)NCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367884769 154311681 /nfs/dbraw/zinc/31/16/81/154311681.db2.gz IFQLJABMSXUCCE-UHFFFAOYSA-N 2 1 340.493 1.169 20 0 EDADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CC[C@@H](CC(N)=O)C3)c2cc1C ZINC000367993516 154360139 /nfs/dbraw/zinc/36/01/39/154360139.db2.gz LZAQOCHSFAUWRW-LSDHHAIUSA-N 2 1 330.432 1.211 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cnn4ccccc34)C2)CC1 ZINC000368051333 154386355 /nfs/dbraw/zinc/38/63/55/154386355.db2.gz LYVSLYOQKRYGAA-KRWDZBQOSA-N 2 1 327.476 1.794 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000369575039 155094371 /nfs/dbraw/zinc/09/43/71/155094371.db2.gz DMWVVBUQBCTMLI-IRXDYDNUSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000369575039 155094378 /nfs/dbraw/zinc/09/43/78/155094378.db2.gz DMWVVBUQBCTMLI-IRXDYDNUSA-N 2 1 338.496 1.223 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)C1=O ZINC000369600202 155105839 /nfs/dbraw/zinc/10/58/39/155105839.db2.gz IVLQFJJCCDPSFH-ILXRZTDVSA-N 2 1 334.464 1.123 20 0 EDADMP CC1(C)NC(=O)N(CCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)C1=O ZINC000369600202 155105842 /nfs/dbraw/zinc/10/58/42/155105842.db2.gz IVLQFJJCCDPSFH-ILXRZTDVSA-N 2 1 334.464 1.123 20 0 EDADMP CC1(C)NC(=O)N(CCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)C1=O ZINC000369600202 155105846 /nfs/dbraw/zinc/10/58/46/155105846.db2.gz IVLQFJJCCDPSFH-ILXRZTDVSA-N 2 1 334.464 1.123 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000369648966 155120009 /nfs/dbraw/zinc/12/00/09/155120009.db2.gz OYKBIMIKUGZTPX-WMZOPIPTSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000371968665 156188514 /nfs/dbraw/zinc/18/85/14/156188514.db2.gz ZYURJAOIIDBPLQ-YJBOKZPZSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000372148432 156243282 /nfs/dbraw/zinc/24/32/82/156243282.db2.gz FBKJQWJMAPDLGZ-KBAYOESNSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C[NH+]1Cc1ccccc1 ZINC000372148432 156243285 /nfs/dbraw/zinc/24/32/85/156243285.db2.gz FBKJQWJMAPDLGZ-KBAYOESNSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C[N@@H+]1Cc1ccccc1 ZINC000372148432 156243290 /nfs/dbraw/zinc/24/32/90/156243290.db2.gz FBKJQWJMAPDLGZ-KBAYOESNSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1C[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C[N@H+]1Cc1ccccc1 ZINC000372148432 156243294 /nfs/dbraw/zinc/24/32/94/156243294.db2.gz FBKJQWJMAPDLGZ-KBAYOESNSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1CCO ZINC000372365859 156354651 /nfs/dbraw/zinc/35/46/51/156354651.db2.gz LFVJEFZNJXPBBS-KRWDZBQOSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1CCO ZINC000372365859 156354655 /nfs/dbraw/zinc/35/46/55/156354655.db2.gz LFVJEFZNJXPBBS-KRWDZBQOSA-N 2 1 345.487 1.424 20 0 EDADMP Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374231080 157204912 /nfs/dbraw/zinc/20/49/12/157204912.db2.gz OQWLWXFQAKDSOG-GDBMZVCRSA-N 2 1 345.491 1.125 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374295079 157230642 /nfs/dbraw/zinc/23/06/42/157230642.db2.gz IXGACCWFYMZDBS-UONOGXRCSA-N 2 1 348.491 1.559 20 0 EDADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CC(=O)NC[C@H]1CCCO1)CC2)C1CC1 ZINC000374314060 157239111 /nfs/dbraw/zinc/23/91/11/157239111.db2.gz CBHWLKREZLWBJZ-DOTOQJQBSA-N 2 1 335.492 1.478 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC1 ZINC000377830817 158003853 /nfs/dbraw/zinc/00/38/53/158003853.db2.gz HQZHDXQIXACMPA-GOSISDBHSA-N 2 1 348.535 1.392 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC1 ZINC000377830817 158003856 /nfs/dbraw/zinc/00/38/56/158003856.db2.gz HQZHDXQIXACMPA-GOSISDBHSA-N 2 1 348.535 1.392 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C2 ZINC000377936132 158033305 /nfs/dbraw/zinc/03/33/05/158033305.db2.gz HKDKSPLARKEQDI-KRWDZBQOSA-N 3 1 349.523 1.486 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000377967995 158042435 /nfs/dbraw/zinc/04/24/35/158042435.db2.gz XIWXQDHCBXSORX-MRXNPFEDSA-N 2 1 332.448 1.331 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NCC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000378204436 158109080 /nfs/dbraw/zinc/10/90/80/158109080.db2.gz WAFYNPOXDAQRKK-GOSISDBHSA-N 2 1 338.540 1.961 20 0 EDADMP COCC[C@@]1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000378210685 158111581 /nfs/dbraw/zinc/11/15/81/158111581.db2.gz NOLFHUIGCKDIBX-IBGZPJMESA-N 2 1 331.460 1.347 20 0 EDADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378309823 158135637 /nfs/dbraw/zinc/13/56/37/158135637.db2.gz BXUPDVFQPUUJFK-HKUYNNGSSA-N 2 1 344.503 1.973 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)NCc3nccn3CC(F)(F)F)C[C@@H]21 ZINC000378448945 158177045 /nfs/dbraw/zinc/17/70/45/158177045.db2.gz MCRNVQQGHPTEQU-RYUDHWBXSA-N 2 1 345.369 1.681 20 0 EDADMP CC[N@@H+](C[C@@H](C)O)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000352186208 162038134 /nfs/dbraw/zinc/03/81/34/162038134.db2.gz JWPBRHUOXSNPRE-SJORKVTESA-N 2 1 347.503 1.858 20 0 EDADMP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000364231804 162322267 /nfs/dbraw/zinc/32/22/67/162322267.db2.gz REKDGWUYNDMWFW-MRXNPFEDSA-N 2 1 344.459 1.218 20 0 EDADMP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000364231804 162322270 /nfs/dbraw/zinc/32/22/70/162322270.db2.gz REKDGWUYNDMWFW-MRXNPFEDSA-N 2 1 344.459 1.218 20 0 EDADMP C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347949157 287026283 /nfs/dbraw/zinc/02/62/83/287026283.db2.gz GZFITQYEQQWDFT-CABCVRRESA-N 2 1 331.526 1.511 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000120481315 287361559 /nfs/dbraw/zinc/36/15/59/287361559.db2.gz IJJATBHQVXANAE-RDJZCZTQSA-N 2 1 340.512 1.469 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@H]2C[NH2+]CCO2)cc1F ZINC000166033041 226145981 /nfs/dbraw/zinc/14/59/81/226145981.db2.gz DTLNCQONKDCGPG-AWEZNQCLSA-N 2 1 332.379 1.315 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCOCC2(CC2)C1 ZINC000665760253 452332040 /nfs/dbraw/zinc/33/20/40/452332040.db2.gz DHLFZYJTVCPGKZ-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCOCC2(CC2)C1 ZINC000665760253 452332049 /nfs/dbraw/zinc/33/20/49/452332049.db2.gz DHLFZYJTVCPGKZ-HNNXBMFYSA-N 2 1 326.485 1.080 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000122946704 222188857 /nfs/dbraw/zinc/18/88/57/222188857.db2.gz YJIOQAQYPOGSIO-YESZJQIVSA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000122946704 222188860 /nfs/dbraw/zinc/18/88/60/222188860.db2.gz YJIOQAQYPOGSIO-YESZJQIVSA-N 2 1 325.497 1.437 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000122946704 222188862 /nfs/dbraw/zinc/18/88/62/222188862.db2.gz YJIOQAQYPOGSIO-YESZJQIVSA-N 2 1 325.497 1.437 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C)nc4ccccn43)C2)CC1 ZINC000123290933 222250210 /nfs/dbraw/zinc/25/02/10/222250210.db2.gz ODTZXXRZJHWCLO-KRWDZBQOSA-N 2 1 327.476 1.855 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000124039849 222368295 /nfs/dbraw/zinc/36/82/95/222368295.db2.gz WRZNSLZUTXIXDY-QGZVFWFLSA-N 2 1 345.491 1.324 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000665763608 452344139 /nfs/dbraw/zinc/34/41/39/452344139.db2.gz GWGHJAGMNJIHOP-XHSDSOJGSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000665763608 452344148 /nfs/dbraw/zinc/34/41/48/452344148.db2.gz GWGHJAGMNJIHOP-XHSDSOJGSA-N 2 1 326.485 1.079 20 0 EDADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418449827 304496669 /nfs/dbraw/zinc/49/66/69/304496669.db2.gz KTWLLNZSUWTDCN-DFNIBXOVSA-N 2 1 342.487 1.839 20 0 EDADMP COC[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665763774 452347641 /nfs/dbraw/zinc/34/76/41/452347641.db2.gz LIDNCLJEGSCHCR-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP COC[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665763774 452347649 /nfs/dbraw/zinc/34/76/49/452347649.db2.gz LIDNCLJEGSCHCR-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000275554981 268359856 /nfs/dbraw/zinc/35/98/56/268359856.db2.gz AKMCOFVIYAKZBB-SFHVURJKSA-N 2 1 346.475 1.282 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275554981 268359858 /nfs/dbraw/zinc/35/98/58/268359858.db2.gz AKMCOFVIYAKZBB-SFHVURJKSA-N 2 1 346.475 1.282 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275554981 268359859 /nfs/dbraw/zinc/35/98/59/268359859.db2.gz AKMCOFVIYAKZBB-SFHVURJKSA-N 2 1 346.475 1.282 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279847342 273333296 /nfs/dbraw/zinc/33/32/96/273333296.db2.gz RXBMYZPLHDWIGX-NXHRZFHOSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279847342 273333297 /nfs/dbraw/zinc/33/32/97/273333297.db2.gz RXBMYZPLHDWIGX-NXHRZFHOSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@H](O)C(C)(C)C1 ZINC000279847342 273333298 /nfs/dbraw/zinc/33/32/98/273333298.db2.gz RXBMYZPLHDWIGX-NXHRZFHOSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@H](O)C(C)(C)C1 ZINC000279847342 273333299 /nfs/dbraw/zinc/33/32/99/273333299.db2.gz RXBMYZPLHDWIGX-NXHRZFHOSA-N 2 1 345.487 1.468 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@](C)(O)CC1)c1ccccc1 ZINC000280163552 273346739 /nfs/dbraw/zinc/34/67/39/273346739.db2.gz SESNOWMYXDQOKB-MJGOQNOKSA-N 2 1 333.476 1.642 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C[C@H](C)O1 ZINC000655913509 452672924 /nfs/dbraw/zinc/67/29/24/452672924.db2.gz VBNWPDBAKVDUIK-AXFHLTTASA-N 2 1 340.390 1.063 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C[C@H](C)O1 ZINC000655913509 452672955 /nfs/dbraw/zinc/67/29/55/452672955.db2.gz VBNWPDBAKVDUIK-AXFHLTTASA-N 2 1 340.390 1.063 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@]3(F)CC[NH2+]C3)c2)CCO1 ZINC000378209173 274353917 /nfs/dbraw/zinc/35/39/17/274353917.db2.gz JFSLITCJCCDTOX-KDOFPFPSSA-N 2 1 335.423 1.225 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@]3(F)CC[NH2+]C3)c2)CCO1 ZINC000378209173 274353918 /nfs/dbraw/zinc/35/39/18/274353918.db2.gz JFSLITCJCCDTOX-KDOFPFPSSA-N 2 1 335.423 1.225 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)[C@H](C)C1 ZINC000331939262 276228988 /nfs/dbraw/zinc/22/89/88/276228988.db2.gz DZYVTFWFZKZGOQ-FDZBUTDGSA-N 2 1 347.507 1.568 20 0 EDADMP CC[N@H+](C)CCNC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000362968070 276305260 /nfs/dbraw/zinc/30/52/60/276305260.db2.gz ZBXSDNCWILBKBW-OAHLLOKOSA-N 2 1 334.468 1.313 20 0 EDADMP CC[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000362968070 276305261 /nfs/dbraw/zinc/30/52/61/276305261.db2.gz ZBXSDNCWILBKBW-OAHLLOKOSA-N 2 1 334.468 1.313 20 0 EDADMP COC(=O)C(C)(C)CC[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000354123712 277048119 /nfs/dbraw/zinc/04/81/19/277048119.db2.gz BJNWXCSCBQOLGB-AWEZNQCLSA-N 2 1 327.469 1.108 20 0 EDADMP COC(=O)C(C)(C)CC[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000354123712 277048121 /nfs/dbraw/zinc/04/81/21/277048121.db2.gz BJNWXCSCBQOLGB-AWEZNQCLSA-N 2 1 327.469 1.108 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000265522431 277080276 /nfs/dbraw/zinc/08/02/76/277080276.db2.gz SZFWJEPKMXVCKO-AEFFLSMTSA-N 2 1 349.475 1.658 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000265522431 277080277 /nfs/dbraw/zinc/08/02/77/277080277.db2.gz SZFWJEPKMXVCKO-AEFFLSMTSA-N 2 1 349.475 1.658 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000265522431 277080279 /nfs/dbraw/zinc/08/02/79/277080279.db2.gz SZFWJEPKMXVCKO-AEFFLSMTSA-N 2 1 349.475 1.658 20 0 EDADMP COC(=O)[C@](C)(O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000353505784 277142582 /nfs/dbraw/zinc/14/25/82/277142582.db2.gz YUCLMAIYZNONMU-RVKKMQEKSA-N 2 1 342.480 1.122 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000417942505 277166190 /nfs/dbraw/zinc/16/61/90/277166190.db2.gz OBUYEHAVOMVPMC-XSLAGTTESA-N 2 1 328.460 1.683 20 0 EDADMP CS[C@@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C[C@H]1[NH+]1CCCC1 ZINC000361626666 278148695 /nfs/dbraw/zinc/14/86/95/278148695.db2.gz XZMJZWXUYCISBZ-RRFJBIMHSA-N 2 1 343.562 1.462 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCCC1 ZINC000362885376 278213206 /nfs/dbraw/zinc/21/32/06/278213206.db2.gz ONTWADBWVRWYPN-IRXDYDNUSA-N 2 1 336.524 1.536 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCCC1 ZINC000362885376 278213208 /nfs/dbraw/zinc/21/32/08/278213208.db2.gz ONTWADBWVRWYPN-IRXDYDNUSA-N 2 1 336.524 1.536 20 0 EDADMP CCN(CC)C(=O)C[N@H+]1CCCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000351631505 279068484 /nfs/dbraw/zinc/06/84/84/279068484.db2.gz GBWNESXRKWIEAM-GOSISDBHSA-N 2 1 338.540 1.737 20 0 EDADMP CCN(CC)C(=O)C[NH+]1CCCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351631505 279068485 /nfs/dbraw/zinc/06/84/85/279068485.db2.gz GBWNESXRKWIEAM-GOSISDBHSA-N 2 1 338.540 1.737 20 0 EDADMP CCN(CC)C(=O)C[NH+]1CCCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351631505 279068486 /nfs/dbraw/zinc/06/84/86/279068486.db2.gz GBWNESXRKWIEAM-GOSISDBHSA-N 2 1 338.540 1.737 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352661760 279229650 /nfs/dbraw/zinc/22/96/50/279229650.db2.gz UYWDPSHCOHZHAY-YSHGAJCASA-N 2 1 345.487 1.611 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)[C@H]1CCC[C@@H]1O ZINC000352661760 279229653 /nfs/dbraw/zinc/22/96/53/279229653.db2.gz UYWDPSHCOHZHAY-YSHGAJCASA-N 2 1 345.487 1.611 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)[C@H]1CCC[C@@H]1O ZINC000352661760 279229658 /nfs/dbraw/zinc/22/96/58/279229658.db2.gz UYWDPSHCOHZHAY-YSHGAJCASA-N 2 1 345.487 1.611 20 0 EDADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000357258518 279396370 /nfs/dbraw/zinc/39/63/70/279396370.db2.gz DWFPLEYXMXECJK-DLBZAZTESA-N 2 1 325.497 1.678 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000357258518 279396372 /nfs/dbraw/zinc/39/63/72/279396372.db2.gz DWFPLEYXMXECJK-DLBZAZTESA-N 2 1 325.497 1.678 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417026101 279396720 /nfs/dbraw/zinc/39/67/20/279396720.db2.gz RWYWOHDEPCFDFP-FUHWJXTLSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000417026101 279396722 /nfs/dbraw/zinc/39/67/22/279396722.db2.gz RWYWOHDEPCFDFP-FUHWJXTLSA-N 2 1 347.507 1.402 20 0 EDADMP C[C@H]([NH3+])CCNC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000417026101 279396725 /nfs/dbraw/zinc/39/67/25/279396725.db2.gz RWYWOHDEPCFDFP-FUHWJXTLSA-N 2 1 347.507 1.402 20 0 EDADMP CC(C)[C@@H](C(=O)NCC1(C)CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000356986561 279784447 /nfs/dbraw/zinc/78/44/47/279784447.db2.gz RCZQKZJHYUVJKN-ZACQAIPSSA-N 2 1 339.524 1.968 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C[C@H](O)C[NH+](C)C2CC2)C[C@H](C)O1 ZINC000351477574 288192721 /nfs/dbraw/zinc/19/27/21/288192721.db2.gz NTMSMGRDBHDUIQ-CIRFHOKZSA-N 2 1 325.497 1.015 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C[C@H](O)C[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000351477574 288192722 /nfs/dbraw/zinc/19/27/22/288192722.db2.gz NTMSMGRDBHDUIQ-CIRFHOKZSA-N 2 1 325.497 1.015 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C[C@H](O)C[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000351477574 288192723 /nfs/dbraw/zinc/19/27/23/288192723.db2.gz NTMSMGRDBHDUIQ-CIRFHOKZSA-N 2 1 325.497 1.015 20 0 EDADMP Cn1cc([C@H]2[C@@H](CNc3[nH+]cnc4[nH]ccc43)CCC[N@@H+]2C)cn1 ZINC000377703324 447305653 /nfs/dbraw/zinc/30/56/53/447305653.db2.gz MGHNKNFPEXAKHM-IUODEOHRSA-N 2 1 325.420 2.186 20 0 EDADMP Cn1cc([C@H]2[C@@H](CNc3[nH+]cnc4[nH]ccc43)CCC[N@H+]2C)cn1 ZINC000377703324 447305657 /nfs/dbraw/zinc/30/56/57/447305657.db2.gz MGHNKNFPEXAKHM-IUODEOHRSA-N 2 1 325.420 2.186 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000262469778 289267301 /nfs/dbraw/zinc/26/73/01/289267301.db2.gz JDMUEKMVQLWWNH-HNNXBMFYSA-N 2 1 325.478 1.640 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000262469778 289267302 /nfs/dbraw/zinc/26/73/02/289267302.db2.gz JDMUEKMVQLWWNH-HNNXBMFYSA-N 2 1 325.478 1.640 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCNC(=O)C(F)(F)F ZINC000378439061 289331618 /nfs/dbraw/zinc/33/16/18/289331618.db2.gz ZPKVKFKCLBLLOP-FRRDWIJNSA-N 2 1 337.386 1.239 20 0 EDADMP C[C@H](c1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1)[NH+]1CCOCC1 ZINC000333078373 290235516 /nfs/dbraw/zinc/23/55/16/290235516.db2.gz AIFYQIUSXNOLND-KYJSFNMBSA-N 2 1 344.459 1.905 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+]C(C)(C)CC(N)=O)CC1 ZINC000348804051 290254805 /nfs/dbraw/zinc/25/48/05/290254805.db2.gz YBJCNDTZZXWYIE-OAHLLOKOSA-N 2 1 346.475 1.135 20 0 EDADMP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000487525489 297305378 /nfs/dbraw/zinc/30/53/78/297305378.db2.gz 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C[C@@H]1[C@H](NC[C@@H]2C[NH+](C)CCN2C)CCC[N@H+]1Cc1ccccc1 ZINC000293913578 303037623 /nfs/dbraw/zinc/03/76/23/303037623.db2.gz WYLRQIMIRDWWCV-MISYRCLQSA-N 2 1 330.520 1.875 20 0 EDADMP C[C@@H]1[C@H](NC[C@@H]2C[N@H+](C)CCN2C)CCC[NH+]1Cc1ccccc1 ZINC000293913578 303037624 /nfs/dbraw/zinc/03/76/24/303037624.db2.gz WYLRQIMIRDWWCV-MISYRCLQSA-N 2 1 330.520 1.875 20 0 EDADMP C[C@@H]1[C@H](NC[C@@H]2C[N@@H+](C)CCN2C)CCC[NH+]1Cc1ccccc1 ZINC000293913578 303037626 /nfs/dbraw/zinc/03/76/26/303037626.db2.gz WYLRQIMIRDWWCV-MISYRCLQSA-N 2 1 330.520 1.875 20 0 EDADMP C[C@H](O)CNc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ncn1 ZINC000294256908 303083834 /nfs/dbraw/zinc/08/38/34/303083834.db2.gz FEAYOEFSLNSONR-GOEBONIOSA-N 2 1 327.432 1.956 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)[NH2+]C3CC3)C2)cc(OC)c1 ZINC000295727527 303258269 /nfs/dbraw/zinc/25/82/69/303258269.db2.gz NYDAPEUHHTYSQU-CJNGLKHVSA-N 2 1 347.459 1.535 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)[NH2+]C3CC3)C2)cc(OC)c1 ZINC000295727527 303258271 /nfs/dbraw/zinc/25/82/71/303258271.db2.gz NYDAPEUHHTYSQU-CJNGLKHVSA-N 2 1 347.459 1.535 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](C)[C@@H](C)CO)CC1 ZINC000295808463 303270127 /nfs/dbraw/zinc/27/01/27/303270127.db2.gz TXBFGZYDAAZZBW-ZWKOTPCHSA-N 2 1 347.503 1.636 20 0 EDADMP Cn1ccnc1[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000423385462 304894370 /nfs/dbraw/zinc/89/43/70/304894370.db2.gz KRWKWHYDCVUAML-CHWSQXEVSA-N 2 1 331.386 1.297 20 0 EDADMP COC[C@]1(C[NH2+][C@H](C)CC(=O)Nc2ccccc2OC)CCC[NH2+]1 ZINC000423427341 304895742 /nfs/dbraw/zinc/89/57/42/304895742.db2.gz NUJIOICSUSVXFG-RDTXWAMCSA-N 2 1 335.448 1.771 20 0 EDADMP CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425896937 304976449 /nfs/dbraw/zinc/97/64/49/304976449.db2.gz RJGVBHIVIRYBMI-ZDUSSCGKSA-N 2 1 326.466 1.099 20 0 EDADMP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000429545964 305031761 /nfs/dbraw/zinc/03/17/61/305031761.db2.gz APOWYRGTDAJKRB-KRWDZBQOSA-N 2 1 331.460 1.792 20 0 EDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000429545964 305031762 /nfs/dbraw/zinc/03/17/62/305031762.db2.gz APOWYRGTDAJKRB-KRWDZBQOSA-N 2 1 331.460 1.792 20 0 EDADMP O=C([C@H]1CCC[N@H+](Cc2cc(-c3ccco3)on2)C1)N1CC[NH2+]CC1 ZINC000430604247 305058207 /nfs/dbraw/zinc/05/82/07/305058207.db2.gz MFWSMFKREXJFSY-AWEZNQCLSA-N 2 1 344.415 1.578 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cc(-c3ccco3)on2)C1)N1CC[NH2+]CC1 ZINC000430604247 305058208 /nfs/dbraw/zinc/05/82/08/305058208.db2.gz MFWSMFKREXJFSY-AWEZNQCLSA-N 2 1 344.415 1.578 20 0 EDADMP C[NH2+]CCCC(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000430877779 305066641 /nfs/dbraw/zinc/06/66/41/305066641.db2.gz KARFQDSGNNDFED-HNNXBMFYSA-N 2 1 332.448 1.322 20 0 EDADMP C[NH2+]C1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000430941904 305069651 /nfs/dbraw/zinc/06/96/51/305069651.db2.gz ADOZHVQDGPLSKC-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccccc2N2CCCC2=O)CC1 ZINC000430958682 305070805 /nfs/dbraw/zinc/07/08/05/305070805.db2.gz YUSMATPQSMDFMR-CQSZACIVSA-N 2 1 344.459 1.811 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H]3CCCCCC[C@@H]3[NH3+])CC2)CCO1 ZINC000431062739 305073984 /nfs/dbraw/zinc/07/39/84/305073984.db2.gz SWESZUHSOZDVCB-NJAFHUGGSA-N 2 1 337.508 1.996 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H]3CCCCCC[C@H]3[NH3+])CC2)CCO1 ZINC000431062737 305074014 /nfs/dbraw/zinc/07/40/14/305074014.db2.gz SWESZUHSOZDVCB-BPQIPLTHSA-N 2 1 337.508 1.996 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CCCO1 ZINC000433280429 305104664 /nfs/dbraw/zinc/10/46/64/305104664.db2.gz BXUPXGWKGMKDQO-BRWVUGGUSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCCO1 ZINC000433280429 305104665 /nfs/dbraw/zinc/10/46/65/305104665.db2.gz BXUPXGWKGMKDQO-BRWVUGGUSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCCO1 ZINC000433280429 305104666 /nfs/dbraw/zinc/10/46/66/305104666.db2.gz BXUPXGWKGMKDQO-BRWVUGGUSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433927484 305114820 /nfs/dbraw/zinc/11/48/20/305114820.db2.gz SBAFIFPROFEVAR-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433927484 305114821 /nfs/dbraw/zinc/11/48/21/305114821.db2.gz SBAFIFPROFEVAR-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433927484 305114822 /nfs/dbraw/zinc/11/48/22/305114822.db2.gz SBAFIFPROFEVAR-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP Cn1cc(CC[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435683455 305145257 /nfs/dbraw/zinc/14/52/57/305145257.db2.gz QPVPIXZUCGPTJD-MRXNPFEDSA-N 2 1 328.464 1.340 20 0 EDADMP Cn1cc(CC[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435683455 305145258 /nfs/dbraw/zinc/14/52/58/305145258.db2.gz QPVPIXZUCGPTJD-MRXNPFEDSA-N 2 1 328.464 1.340 20 0 EDADMP O=C1CCC(=O)N1CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692841 305145496 /nfs/dbraw/zinc/14/54/96/305145496.db2.gz KOCSPRMOBWKGTG-OAHLLOKOSA-N 2 1 347.484 1.841 20 0 EDADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000446365712 305263792 /nfs/dbraw/zinc/26/37/92/305263792.db2.gz BEQISSVTMMPXLN-DEWZPKMOSA-N 2 1 335.492 1.652 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@@H](C)O1 ZINC000449319050 305311257 /nfs/dbraw/zinc/31/12/57/305311257.db2.gz XQYXXZRAEQAJQF-LVQVYYBASA-N 2 1 325.497 1.898 20 0 EDADMP CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000449761521 305318385 /nfs/dbraw/zinc/31/83/85/305318385.db2.gz YGZCFLGYNARRAI-IAGOWNOFSA-N 2 1 333.480 1.666 20 0 EDADMP CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000452022057 305379216 /nfs/dbraw/zinc/37/92/16/305379216.db2.gz OZGCQNXJUPNCLR-GVDBMIGSSA-N 2 1 341.496 1.007 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@H+](C2CC2)C1 ZINC000452170798 305385709 /nfs/dbraw/zinc/38/57/09/305385709.db2.gz JCUDOFJGIBOAFN-QAPCUYQASA-N 2 1 335.492 1.573 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+](C2CC2)C1 ZINC000452170798 305385710 /nfs/dbraw/zinc/38/57/10/305385710.db2.gz JCUDOFJGIBOAFN-QAPCUYQASA-N 2 1 335.492 1.573 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC[NH+](C2CC2)C1 ZINC000452170798 305385711 /nfs/dbraw/zinc/38/57/11/305385711.db2.gz JCUDOFJGIBOAFN-QAPCUYQASA-N 2 1 335.492 1.573 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425898068 447354706 /nfs/dbraw/zinc/35/47/06/447354706.db2.gz XRAFXEKMYRKDLP-MRXNPFEDSA-N 3 1 336.480 1.468 20 0 EDADMP OC[C@H]1CCC[N@@H+]1CCCCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425898068 447354710 /nfs/dbraw/zinc/35/47/10/447354710.db2.gz XRAFXEKMYRKDLP-MRXNPFEDSA-N 2 1 336.480 1.468 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425898068 447354714 /nfs/dbraw/zinc/35/47/14/447354714.db2.gz XRAFXEKMYRKDLP-MRXNPFEDSA-N 2 1 336.480 1.468 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000528882391 305892198 /nfs/dbraw/zinc/89/21/98/305892198.db2.gz VGUJJCMAQGOXOY-OAHLLOKOSA-N 2 1 327.432 1.928 20 0 EDADMP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000530354875 305938603 /nfs/dbraw/zinc/93/86/03/305938603.db2.gz XLZBTMBDAUCMPV-CYBMUJFWSA-N 2 1 344.415 1.756 20 0 EDADMP COC[C@@]1(C[NH2+][C@H](C)CC(=O)NCCc2ccccc2)CCC[NH2+]1 ZINC000414945881 447367256 /nfs/dbraw/zinc/36/72/56/447367256.db2.gz RDWDBCDQZQFMDE-APWZRJJASA-N 2 1 333.476 1.482 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnn3c2CCCC3)CC1 ZINC000533088341 305995530 /nfs/dbraw/zinc/99/55/30/305995530.db2.gz CACCXZKMXWMYFF-UHFFFAOYSA-N 2 1 340.431 1.619 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000536353667 306020191 /nfs/dbraw/zinc/02/01/91/306020191.db2.gz IYJSQMHHOFPHKN-KURKYZTESA-N 2 1 346.475 1.015 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536353667 306020192 /nfs/dbraw/zinc/02/01/92/306020192.db2.gz IYJSQMHHOFPHKN-KURKYZTESA-N 2 1 346.475 1.015 20 0 EDADMP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000536353667 306020193 /nfs/dbraw/zinc/02/01/93/306020193.db2.gz IYJSQMHHOFPHKN-KURKYZTESA-N 2 1 346.475 1.015 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000553463384 306185249 /nfs/dbraw/zinc/18/52/49/306185249.db2.gz WJCLJRNOHMDHQL-UHFFFAOYSA-N 2 1 330.476 1.894 20 0 EDADMP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1CC[NH+](C)C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556966591 306222019 /nfs/dbraw/zinc/22/20/19/306222019.db2.gz RELXSOYOQNOZHG-RZFLPCETSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1CC[NH+](C)C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556966591 306222020 /nfs/dbraw/zinc/22/20/20/306222020.db2.gz RELXSOYOQNOZHG-RZFLPCETSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556966591 306222021 /nfs/dbraw/zinc/22/20/21/306222021.db2.gz RELXSOYOQNOZHG-RZFLPCETSA-N 2 1 337.508 1.815 20 0 EDADMP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556966591 306222022 /nfs/dbraw/zinc/22/20/22/306222022.db2.gz RELXSOYOQNOZHG-RZFLPCETSA-N 2 1 337.508 1.815 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000557135836 306224950 /nfs/dbraw/zinc/22/49/50/306224950.db2.gz SVUXCCGKBKTFGC-NCXUSEDFSA-N 2 1 342.487 1.948 20 0 EDADMP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)co2)cc1 ZINC000557342338 306227623 /nfs/dbraw/zinc/22/76/23/306227623.db2.gz ZQZIEJBEALGMLC-QGZVFWFLSA-N 2 1 342.443 1.830 20 0 EDADMP COc1ccc(-c2nc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)co2)cc1 ZINC000557342338 306227624 /nfs/dbraw/zinc/22/76/24/306227624.db2.gz ZQZIEJBEALGMLC-QGZVFWFLSA-N 2 1 342.443 1.830 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000414951718 447371177 /nfs/dbraw/zinc/37/11/77/447371177.db2.gz HBQMZCWJCILEJR-MKBNYLNASA-N 2 1 330.432 1.244 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[NH+](C)CC[C@H]1C)CCC(F)(F)F ZINC000426000626 447375567 /nfs/dbraw/zinc/37/55/67/447375567.db2.gz HWJAWZSMWCYWNI-CYBMUJFWSA-N 2 1 338.418 1.996 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@H+](C)CC[C@H]1C)CCC(F)(F)F ZINC000426000626 447375571 /nfs/dbraw/zinc/37/55/71/447375571.db2.gz HWJAWZSMWCYWNI-CYBMUJFWSA-N 2 1 338.418 1.996 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@@H+](C)CC[C@H]1C)CCC(F)(F)F ZINC000426000626 447375576 /nfs/dbraw/zinc/37/55/76/447375576.db2.gz HWJAWZSMWCYWNI-CYBMUJFWSA-N 2 1 338.418 1.996 20 0 EDADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CC[NH2+]CC1 ZINC000414977385 447381751 /nfs/dbraw/zinc/38/17/51/447381751.db2.gz RLDFMIKPVKKXGK-BARDWOONSA-N 3 1 334.430 1.333 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000458529490 447402267 /nfs/dbraw/zinc/40/22/67/447402267.db2.gz XZINQBAKGMBNSW-GDBMZVCRSA-N 2 1 328.526 1.549 20 0 EDADMP CCC[C@@H](O)[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000419830942 447437518 /nfs/dbraw/zinc/43/75/18/447437518.db2.gz UNIZLGKZBAELNT-RTBURBONSA-N 2 1 338.467 1.944 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCOc2ccccc2C)CC1 ZINC000016423111 441223031 /nfs/dbraw/zinc/22/30/31/441223031.db2.gz FBQRAYGOIGRTHU-UHFFFAOYSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCOc2ccccc2C)CC1 ZINC000016423111 441223036 /nfs/dbraw/zinc/22/30/36/441223036.db2.gz FBQRAYGOIGRTHU-UHFFFAOYSA-N 2 1 333.476 1.906 20 0 EDADMP CC(C)[NH+](CCNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000106516323 441348028 /nfs/dbraw/zinc/34/80/28/441348028.db2.gz DVAWVJDJPRAZSW-MRXNPFEDSA-N 2 1 327.517 1.040 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)C1 ZINC000073377543 441314356 /nfs/dbraw/zinc/31/43/56/441314356.db2.gz HTODYDAOBBKDBI-SFHVURJKSA-N 2 1 333.476 1.606 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)C1 ZINC000073377543 441314359 /nfs/dbraw/zinc/31/43/59/441314359.db2.gz HTODYDAOBBKDBI-SFHVURJKSA-N 2 1 333.476 1.606 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(C)CC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000112741948 441556500 /nfs/dbraw/zinc/55/65/00/441556500.db2.gz HXUQRAGHQTWYDK-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP CC1CC[NH+](CC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089961711 441605223 /nfs/dbraw/zinc/60/52/23/441605223.db2.gz XPWAVGKAMKTGGR-OALUTQOASA-N 2 1 345.487 1.470 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158507234 441742783 /nfs/dbraw/zinc/74/27/83/441742783.db2.gz MLIHNZABICJYIE-FQEVSTJZSA-N 2 1 342.487 1.016 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000121784810 441780479 /nfs/dbraw/zinc/78/04/79/441780479.db2.gz OZUZCURTEXFYSD-VQIMIIECSA-N 2 1 344.503 1.776 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccn(C)c1=O ZINC000173536793 441783578 /nfs/dbraw/zinc/78/35/78/441783578.db2.gz PGINQVMBRGAYAE-OAHLLOKOSA-N 2 1 349.479 1.265 20 0 EDADMP COCC[NH+]1CCC(N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000173645311 441813528 /nfs/dbraw/zinc/81/35/28/441813528.db2.gz ILQOJMFFMVJAEG-CVEARBPZSA-N 2 1 333.476 1.953 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3CC[NH+](C)C3)c2C1 ZINC000077817012 441866230 /nfs/dbraw/zinc/86/62/30/441866230.db2.gz ACGVSQDLSFXOKU-AWEZNQCLSA-N 2 1 344.459 1.419 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3CC[NH+](C)C3)c2C1 ZINC000077817012 441866234 /nfs/dbraw/zinc/86/62/34/441866234.db2.gz ACGVSQDLSFXOKU-AWEZNQCLSA-N 2 1 344.459 1.419 20 0 EDADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C)C3)c2C1 ZINC000077817012 441866237 /nfs/dbraw/zinc/86/62/37/441866237.db2.gz ACGVSQDLSFXOKU-AWEZNQCLSA-N 2 1 344.459 1.419 20 0 EDADMP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](C)C3)c2C1 ZINC000077817012 441866240 /nfs/dbraw/zinc/86/62/40/441866240.db2.gz ACGVSQDLSFXOKU-AWEZNQCLSA-N 2 1 344.459 1.419 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N[C@@H]2CCN(c3ccccn3)C2)C[N@H+]1C1CC1 ZINC000122924010 441867731 /nfs/dbraw/zinc/86/77/31/441867731.db2.gz UCXWVVISXGDYNJ-ZNMIVQPWSA-N 2 1 329.448 1.585 20 0 EDADMP CC(C)(C)[NH2+]CCNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000174239162 441905211 /nfs/dbraw/zinc/90/52/11/441905211.db2.gz ZZUWPLOCLLSBMN-QGZVFWFLSA-N 2 1 333.476 1.782 20 0 EDADMP CC(C)(C)[NH2+]CCNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000174239162 441905218 /nfs/dbraw/zinc/90/52/18/441905218.db2.gz ZZUWPLOCLLSBMN-QGZVFWFLSA-N 2 1 333.476 1.782 20 0 EDADMP c1c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nc2ncccn12 ZINC000174238831 441906159 /nfs/dbraw/zinc/90/61/59/441906159.db2.gz QMBHVHCOIPHNLX-UHFFFAOYSA-N 2 1 329.448 1.806 20 0 EDADMP CN(c1ccccc1C[N@@H+](CCO)CCCO)C1CC[NH+](C)CC1 ZINC000093324024 441877120 /nfs/dbraw/zinc/87/71/20/441877120.db2.gz NATGBFSANGWFBC-UHFFFAOYSA-N 2 1 335.492 1.394 20 0 EDADMP CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1)[NH+](C)C ZINC000124811661 441955158 /nfs/dbraw/zinc/95/51/58/441955158.db2.gz AVFRBDUPWCHQHN-IBGZPJMESA-N 2 1 346.519 1.781 20 0 EDADMP C[N@H+](CCC(=O)OC(C)(C)C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000150878102 441967260 /nfs/dbraw/zinc/96/72/60/441967260.db2.gz JVKFRVWZVSUSDV-UHFFFAOYSA-N 2 1 339.480 1.393 20 0 EDADMP C[N@@H+](CCC(=O)OC(C)(C)C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000150878102 441967263 /nfs/dbraw/zinc/96/72/63/441967263.db2.gz JVKFRVWZVSUSDV-UHFFFAOYSA-N 2 1 339.480 1.393 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2CCOC2)CC1 ZINC000494543531 447444861 /nfs/dbraw/zinc/44/48/61/447444861.db2.gz GKHIPKKANPVMMN-QZTJIDSGSA-N 2 1 345.487 1.860 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2CCOC2)CC1 ZINC000494543531 447444866 /nfs/dbraw/zinc/44/48/66/447444866.db2.gz GKHIPKKANPVMMN-QZTJIDSGSA-N 2 1 345.487 1.860 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000079208802 442029275 /nfs/dbraw/zinc/02/92/75/442029275.db2.gz OTWNYYVFVNIUPZ-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP C[N@@H+](CCO)C1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000162193157 442073030 /nfs/dbraw/zinc/07/30/30/442073030.db2.gz QMOASQFKPWXXCR-UHFFFAOYSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@@H+]1C ZINC000120510714 442085338 /nfs/dbraw/zinc/08/53/38/442085338.db2.gz UQTWDFDJPOICFB-GUYCJALGSA-N 2 1 344.459 1.512 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@H+]1C ZINC000120510714 442085346 /nfs/dbraw/zinc/08/53/46/442085346.db2.gz UQTWDFDJPOICFB-GUYCJALGSA-N 2 1 344.459 1.512 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[NH+]1C ZINC000120510714 442085350 /nfs/dbraw/zinc/08/53/50/442085350.db2.gz UQTWDFDJPOICFB-GUYCJALGSA-N 2 1 344.459 1.512 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[NH+]1C ZINC000120510714 442085358 /nfs/dbraw/zinc/08/53/58/442085358.db2.gz UQTWDFDJPOICFB-GUYCJALGSA-N 2 1 344.459 1.512 20 0 EDADMP C[C@@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000120678127 442115773 /nfs/dbraw/zinc/11/57/73/442115773.db2.gz UYVHDUQMFSFLBE-BBWFWOEESA-N 2 1 337.508 1.819 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCCN(CC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000120898334 442148802 /nfs/dbraw/zinc/14/88/02/442148802.db2.gz UHWPJVRIOSPTFW-SFHVURJKSA-N 2 1 336.524 1.204 20 0 EDADMP C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000152227804 442185375 /nfs/dbraw/zinc/18/53/75/442185375.db2.gz HMFTUWKIYJFBEL-SFHVURJKSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000152227804 442185381 /nfs/dbraw/zinc/18/53/81/442185381.db2.gz HMFTUWKIYJFBEL-SFHVURJKSA-N 2 1 331.460 1.345 20 0 EDADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1)[NH+](C)C ZINC000152292173 442193850 /nfs/dbraw/zinc/19/38/50/442193850.db2.gz SPHWSBMEWVUPSV-MAUKXSAKSA-N 2 1 349.475 1.735 20 0 EDADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1)[NH+](C)C ZINC000152292173 442193852 /nfs/dbraw/zinc/19/38/52/442193852.db2.gz SPHWSBMEWVUPSV-MAUKXSAKSA-N 2 1 349.475 1.735 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000127427933 442201491 /nfs/dbraw/zinc/20/14/91/442201491.db2.gz SVAOZBUEILMTCL-WBVHZDCISA-N 2 1 345.491 1.388 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000163406734 442163381 /nfs/dbraw/zinc/16/33/81/442163381.db2.gz YHJGUWQTJOMNBX-OAHLLOKOSA-N 2 1 326.466 1.128 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000163406734 442163387 /nfs/dbraw/zinc/16/33/87/442163387.db2.gz YHJGUWQTJOMNBX-OAHLLOKOSA-N 2 1 326.466 1.128 20 0 EDADMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000165308992 442208705 /nfs/dbraw/zinc/20/87/05/442208705.db2.gz NGNULQGMBZIJDY-GJZGRUSLSA-N 2 1 339.505 1.977 20 0 EDADMP Cc1cc(N2CCC(N(C)C(=O)[C@H]3CCC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000166547524 442216842 /nfs/dbraw/zinc/21/68/42/442216842.db2.gz ONQISWZSPMJKCO-HNNXBMFYSA-N 2 1 331.464 1.520 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000153104593 442262042 /nfs/dbraw/zinc/26/20/42/442262042.db2.gz LCTNXZPDKIFGCQ-KEYYUXOJSA-N 2 1 340.489 1.787 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000153506495 442286658 /nfs/dbraw/zinc/28/66/58/442286658.db2.gz ZWZKJIXJFJCULD-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000128268868 442256861 /nfs/dbraw/zinc/25/68/61/442256861.db2.gz OJJPTQQDCQFRFT-UHFFFAOYSA-N 2 1 336.446 1.630 20 0 EDADMP C[C@@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000154932554 442365807 /nfs/dbraw/zinc/36/58/07/442365807.db2.gz HOMXSTQJRRNEAI-CVEARBPZSA-N 2 1 348.491 1.872 20 0 EDADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000131746062 442379124 /nfs/dbraw/zinc/37/91/24/442379124.db2.gz YBBNDGLLACRTQI-CQSZACIVSA-N 2 1 327.469 1.432 20 0 EDADMP C[C@@]1(O)CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000177969302 442398559 /nfs/dbraw/zinc/39/85/59/442398559.db2.gz LLVMPPFZUZZLRD-LJQANCHMSA-N 2 1 331.460 1.355 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000177994030 442399590 /nfs/dbraw/zinc/39/95/90/442399590.db2.gz DESQHKBDKAMGBJ-CABCVRRESA-N 2 1 325.478 1.346 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000177994030 442399593 /nfs/dbraw/zinc/39/95/93/442399593.db2.gz DESQHKBDKAMGBJ-CABCVRRESA-N 2 1 325.478 1.346 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000154852217 442360197 /nfs/dbraw/zinc/36/01/97/442360197.db2.gz NMTDJWIXQYCRMP-QUCCMNQESA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000154852217 442360198 /nfs/dbraw/zinc/36/01/98/442360198.db2.gz NMTDJWIXQYCRMP-QUCCMNQESA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000154852217 442360202 /nfs/dbraw/zinc/36/02/02/442360202.db2.gz NMTDJWIXQYCRMP-QUCCMNQESA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000154852217 442360205 /nfs/dbraw/zinc/36/02/05/442360205.db2.gz NMTDJWIXQYCRMP-QUCCMNQESA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000178719404 442462823 /nfs/dbraw/zinc/46/28/23/442462823.db2.gz RDLMBGCMQYWMNW-SOLBZPMBSA-N 2 1 345.487 1.912 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000178719404 442462826 /nfs/dbraw/zinc/46/28/26/442462826.db2.gz RDLMBGCMQYWMNW-SOLBZPMBSA-N 2 1 345.487 1.912 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000172534042 442483411 /nfs/dbraw/zinc/48/34/11/442483411.db2.gz ZEKPQFZLOARENT-MRXNPFEDSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)[NH+]1CCc2ccccc2C1 ZINC000135517262 442605989 /nfs/dbraw/zinc/60/59/89/442605989.db2.gz VRCBDWVUOJZKIB-MAUKXSAKSA-N 2 1 347.528 1.987 20 0 EDADMP C[C@@H](CNC(=O)C[NH+](C)[C@@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000135517262 442605994 /nfs/dbraw/zinc/60/59/94/442605994.db2.gz VRCBDWVUOJZKIB-MAUKXSAKSA-N 2 1 347.528 1.987 20 0 EDADMP C[C@@H](CNC(=O)C[NH+](C)[C@@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000135517262 442605999 /nfs/dbraw/zinc/60/59/99/442605999.db2.gz VRCBDWVUOJZKIB-MAUKXSAKSA-N 2 1 347.528 1.987 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000192003407 442562041 /nfs/dbraw/zinc/56/20/41/442562041.db2.gz SUOWNQZEWDRLLO-HNAYVOBHSA-N 2 1 345.487 1.965 20 0 EDADMP C[N@@H+](CCCS(N)(=O)=O)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393627 442639985 /nfs/dbraw/zinc/63/99/85/442639985.db2.gz DCQBEUKXTPRWKA-UHFFFAOYSA-N 2 1 340.493 1.299 20 0 EDADMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccc(C[NH+](C)C)cc2)cn1 ZINC000181455332 442697999 /nfs/dbraw/zinc/69/79/99/442697999.db2.gz ZXRDFKYNYQXNGH-KRWDZBQOSA-N 2 1 327.432 1.268 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000136314105 442659222 /nfs/dbraw/zinc/65/92/22/442659222.db2.gz LFYIIMKWPQRENN-MRXNPFEDSA-N 2 1 330.436 1.443 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000136314105 442659226 /nfs/dbraw/zinc/65/92/26/442659226.db2.gz LFYIIMKWPQRENN-MRXNPFEDSA-N 2 1 330.436 1.443 20 0 EDADMP C[N@H+](CCCn1ccnc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276703 442732865 /nfs/dbraw/zinc/73/28/65/442732865.db2.gz JREGRKFIJSVIIQ-LJQANCHMSA-N 2 1 328.460 1.842 20 0 EDADMP C[N@@H+](CCCn1ccnc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276703 442732868 /nfs/dbraw/zinc/73/28/68/442732868.db2.gz JREGRKFIJSVIIQ-LJQANCHMSA-N 2 1 328.460 1.842 20 0 EDADMP C[NH+](CCCn1ccnc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188276703 442732870 /nfs/dbraw/zinc/73/28/70/442732870.db2.gz JREGRKFIJSVIIQ-LJQANCHMSA-N 2 1 328.460 1.842 20 0 EDADMP C[NH+](CCCn1ccnc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188276703 442732873 /nfs/dbraw/zinc/73/28/73/442732873.db2.gz JREGRKFIJSVIIQ-LJQANCHMSA-N 2 1 328.460 1.842 20 0 EDADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000193052186 442708592 /nfs/dbraw/zinc/70/85/92/442708592.db2.gz DPUYKZJHHCVYLM-ZWKOTPCHSA-N 2 1 325.497 1.632 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000193052186 442708594 /nfs/dbraw/zinc/70/85/94/442708594.db2.gz DPUYKZJHHCVYLM-ZWKOTPCHSA-N 2 1 325.497 1.632 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)CCc3ccccc3)C2)CC1 ZINC000182364577 442760534 /nfs/dbraw/zinc/76/05/34/442760534.db2.gz IKDGIUCISHMUQO-WOJBJXKFSA-N 2 1 331.504 1.692 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246443161 442782239 /nfs/dbraw/zinc/78/22/39/442782239.db2.gz NTRSHPJVRUFQGY-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246443161 442782242 /nfs/dbraw/zinc/78/22/42/442782242.db2.gz NTRSHPJVRUFQGY-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)CCCOC)[C@@H](C)C1 ZINC000246464655 442783245 /nfs/dbraw/zinc/78/32/45/442783245.db2.gz PODCVGNMBZEXGP-JKSUJKDBSA-N 2 1 328.501 1.326 20 0 EDADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+](C)CCCOC)[C@@H](C)C1 ZINC000246464655 442783247 /nfs/dbraw/zinc/78/32/47/442783247.db2.gz PODCVGNMBZEXGP-JKSUJKDBSA-N 2 1 328.501 1.326 20 0 EDADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+](C)CCCOC)[C@@H](C)C1 ZINC000246464655 442783250 /nfs/dbraw/zinc/78/32/50/442783250.db2.gz PODCVGNMBZEXGP-JKSUJKDBSA-N 2 1 328.501 1.326 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188998828 442857995 /nfs/dbraw/zinc/85/79/95/442857995.db2.gz GOSZMFWYXQDSCM-CJNGLKHVSA-N 2 1 325.403 1.867 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000268148202 442870669 /nfs/dbraw/zinc/87/06/69/442870669.db2.gz UDWOFVGFYQJGGZ-CRAIPNDOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000268148202 442870676 /nfs/dbraw/zinc/87/06/76/442870676.db2.gz UDWOFVGFYQJGGZ-CRAIPNDOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000268148202 442870680 /nfs/dbraw/zinc/87/06/80/442870680.db2.gz UDWOFVGFYQJGGZ-CRAIPNDOSA-N 2 1 330.476 1.900 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cn1 ZINC000268208277 442901364 /nfs/dbraw/zinc/90/13/64/442901364.db2.gz NEOKIYUSYUPPFM-XJKSGUPXSA-N 2 1 342.447 1.667 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000248602881 442905825 /nfs/dbraw/zinc/90/58/25/442905825.db2.gz JIQGAUQCFGUJNO-YESZJQIVSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248602881 442905828 /nfs/dbraw/zinc/90/58/28/442905828.db2.gz JIQGAUQCFGUJNO-YESZJQIVSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248602881 442905832 /nfs/dbraw/zinc/90/58/32/442905832.db2.gz JIQGAUQCFGUJNO-YESZJQIVSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000194737842 442945826 /nfs/dbraw/zinc/94/58/26/442945826.db2.gz PYUULDMQMLNMKM-PKOBYXMFSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000194737842 442945830 /nfs/dbraw/zinc/94/58/30/442945830.db2.gz PYUULDMQMLNMKM-PKOBYXMFSA-N 2 1 344.503 1.261 20 0 EDADMP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265893659 442960600 /nfs/dbraw/zinc/96/06/00/442960600.db2.gz LAXNZXORMLXMJS-QZTJIDSGSA-N 2 1 331.460 1.298 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265893659 442960604 /nfs/dbraw/zinc/96/06/04/442960604.db2.gz LAXNZXORMLXMJS-QZTJIDSGSA-N 2 1 331.460 1.298 20 0 EDADMP CN(C[C@@H]1CC[NH+](C)C1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265893659 442960607 /nfs/dbraw/zinc/96/06/07/442960607.db2.gz LAXNZXORMLXMJS-QZTJIDSGSA-N 2 1 331.460 1.298 20 0 EDADMP CN(C[C@@H]1CC[NH+](C)C1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265893659 442960613 /nfs/dbraw/zinc/96/06/13/442960613.db2.gz LAXNZXORMLXMJS-QZTJIDSGSA-N 2 1 331.460 1.298 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000184074581 442989342 /nfs/dbraw/zinc/98/93/42/442989342.db2.gz QWQWSYNYMAGWEP-MRXNPFEDSA-N 2 1 332.492 1.504 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000249091238 442950573 /nfs/dbraw/zinc/95/05/73/442950573.db2.gz GYIVYVFSIPLQTA-LSDHHAIUSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000249091238 442950578 /nfs/dbraw/zinc/95/05/78/442950578.db2.gz GYIVYVFSIPLQTA-LSDHHAIUSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000249091238 442950581 /nfs/dbraw/zinc/95/05/81/442950581.db2.gz GYIVYVFSIPLQTA-LSDHHAIUSA-N 2 1 328.501 1.203 20 0 EDADMP COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183685574 442952525 /nfs/dbraw/zinc/95/25/25/442952525.db2.gz QKYGVBRCIHKZIF-QWHCGFSZSA-N 2 1 344.415 1.509 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000249861277 443007561 /nfs/dbraw/zinc/00/75/61/443007561.db2.gz RANXLQDRMHKVLZ-QLFBSQMISA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000249861277 443007565 /nfs/dbraw/zinc/00/75/65/443007565.db2.gz RANXLQDRMHKVLZ-QLFBSQMISA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000249861277 443007567 /nfs/dbraw/zinc/00/75/67/443007567.db2.gz RANXLQDRMHKVLZ-QLFBSQMISA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000249861277 443007570 /nfs/dbraw/zinc/00/75/70/443007570.db2.gz RANXLQDRMHKVLZ-QLFBSQMISA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C[C@@H]1C ZINC000251547307 443015402 /nfs/dbraw/zinc/01/54/02/443015402.db2.gz GZPJYAYSPAVXMV-ULQDDVLXSA-N 2 1 340.512 1.347 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000252348598 443022347 /nfs/dbraw/zinc/02/23/47/443022347.db2.gz CUPYJADLOFPAFK-ZWKOTPCHSA-N 2 1 332.492 1.800 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](CC(C)(C)O)C1CC1)c1ccccc1 ZINC000189904461 443026782 /nfs/dbraw/zinc/02/67/82/443026782.db2.gz KWCQWBOEJISETJ-KRWDZBQOSA-N 2 1 333.476 1.641 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1[NH+](C)C ZINC000266150191 443035789 /nfs/dbraw/zinc/03/57/89/443035789.db2.gz GZVUABPZYKGXFG-QRQLOZEOSA-N 2 1 344.503 1.384 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000190229837 443073496 /nfs/dbraw/zinc/07/34/96/443073496.db2.gz AUCXVRKTESBMSC-UHFFFAOYSA-N 2 1 340.418 1.299 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000268880922 443135367 /nfs/dbraw/zinc/13/53/67/443135367.db2.gz XOXYTXSTIIBAIF-LPHOPBHVSA-N 2 1 333.476 1.631 20 0 EDADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cnc1N1CCOCC1 ZINC000184947405 443105117 /nfs/dbraw/zinc/10/51/17/443105117.db2.gz PNHWNSHSAVRMAK-JKSUJKDBSA-N 2 1 334.439 1.774 20 0 EDADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cnc1N1CCOCC1 ZINC000184947405 443105123 /nfs/dbraw/zinc/10/51/23/443105123.db2.gz PNHWNSHSAVRMAK-JKSUJKDBSA-N 2 1 334.439 1.774 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH2+]C3CC3)C2)cc(OC)c1 ZINC000237306744 443168226 /nfs/dbraw/zinc/16/82/26/443168226.db2.gz BMCIIEHUEZXOCQ-HNNXBMFYSA-N 2 1 333.432 1.146 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C[NH2+]C3CC3)C2)cc(OC)c1 ZINC000237306744 443168228 /nfs/dbraw/zinc/16/82/28/443168228.db2.gz BMCIIEHUEZXOCQ-HNNXBMFYSA-N 2 1 333.432 1.146 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261863075 443172667 /nfs/dbraw/zinc/17/26/67/443172667.db2.gz PWHKOVPJLUOOPQ-KSZLIROESA-N 2 1 336.524 1.393 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185329048 443183639 /nfs/dbraw/zinc/18/36/39/443183639.db2.gz TZVHNTROSLGHNO-MRXNPFEDSA-N 2 1 341.544 1.432 20 0 EDADMP [NH3+]C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000237875556 443185564 /nfs/dbraw/zinc/18/55/64/443185564.db2.gz HZYOTFOCXJLCSF-NVXWUHKLSA-N 2 1 333.501 1.974 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])C[C@@H]3C)cc2F)CC1 ZINC000236994566 443154761 /nfs/dbraw/zinc/15/47/61/443154761.db2.gz MHCPMRLJJNAITA-HOCLYGCPSA-N 2 1 348.466 1.919 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000237016216 443155985 /nfs/dbraw/zinc/15/59/85/443155985.db2.gz JGIFSWAGABQGFJ-SOLBZPMBSA-N 2 1 339.524 1.968 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000237016216 443155987 /nfs/dbraw/zinc/15/59/87/443155987.db2.gz JGIFSWAGABQGFJ-SOLBZPMBSA-N 2 1 339.524 1.968 20 0 EDADMP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)[C@H]1C ZINC000245420668 443226030 /nfs/dbraw/zinc/22/60/30/443226030.db2.gz HPVJGJVQHDNVFX-SQNIBIBYSA-N 2 1 338.540 1.497 20 0 EDADMP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)[C@H]1C ZINC000245420668 443226034 /nfs/dbraw/zinc/22/60/34/443226034.db2.gz HPVJGJVQHDNVFX-SQNIBIBYSA-N 2 1 338.540 1.497 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000266808372 443250336 /nfs/dbraw/zinc/25/03/36/443250336.db2.gz FHLKHYMEDVLKFV-RTBURBONSA-N 2 1 344.503 1.403 20 0 EDADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000266808372 443250340 /nfs/dbraw/zinc/25/03/40/443250340.db2.gz FHLKHYMEDVLKFV-RTBURBONSA-N 2 1 344.503 1.403 20 0 EDADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000266808372 443250343 /nfs/dbraw/zinc/25/03/43/443250343.db2.gz FHLKHYMEDVLKFV-RTBURBONSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000266815029 443253696 /nfs/dbraw/zinc/25/36/96/443253696.db2.gz DOYVNMABKQVSGD-MRXNPFEDSA-N 2 1 333.476 1.470 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000415088148 319346546 /nfs/dbraw/zinc/34/65/46/319346546.db2.gz XCIZNGWAACNUFY-UHFFFAOYSA-N 2 1 332.448 1.289 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415234293 319354765 /nfs/dbraw/zinc/35/47/65/319354765.db2.gz XUHQOHPOTFQNGX-KBPBESRZSA-N 2 1 334.464 1.881 20 0 EDADMP C[NH2+]CCCNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415304023 319360479 /nfs/dbraw/zinc/36/04/79/319360479.db2.gz GRZVHBOZFSGDFI-OAHLLOKOSA-N 2 1 346.475 1.583 20 0 EDADMP [NH3+]CC[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(F)(F)F ZINC000416002576 319389366 /nfs/dbraw/zinc/38/93/66/319389366.db2.gz FDWGNGQERLVPJA-XBFCOCLRSA-N 2 1 348.413 1.924 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000185813472 443262967 /nfs/dbraw/zinc/26/29/67/443262967.db2.gz YJCPWEJPHXENHB-SJORKVTESA-N 2 1 341.544 1.288 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000416825815 319464084 /nfs/dbraw/zinc/46/40/84/319464084.db2.gz BCFBOZYCBRBEJS-GDBMZVCRSA-N 2 1 334.464 1.597 20 0 EDADMP [NH3+]C[C@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416889218 319469809 /nfs/dbraw/zinc/46/98/09/319469809.db2.gz VHNPDHDVXATYPW-QGZVFWFLSA-N 2 1 332.448 1.152 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NC(C)(C)CCC[NH3+])C[C@H](C)O1 ZINC000416935166 319478094 /nfs/dbraw/zinc/47/80/94/319478094.db2.gz WDMLVKOEKVOIJB-KBPBESRZSA-N 2 1 328.501 1.691 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)[NH+]1CCOCC1 ZINC000416945381 319482108 /nfs/dbraw/zinc/48/21/08/319482108.db2.gz WFCRGUMVJBYMPK-ARFHVFGLSA-N 2 1 326.485 1.112 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000416947815 319482523 /nfs/dbraw/zinc/48/25/23/319482523.db2.gz YHQLNPCMISCNDX-OAHLLOKOSA-N 2 1 326.485 1.127 20 0 EDADMP O=S(=O)(CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)CCc1ccccc1 ZINC000282567209 443376740 /nfs/dbraw/zinc/37/67/40/443376740.db2.gz TUVWQAUOTJLDOZ-MSOLQXFVSA-N 2 1 336.501 1.860 20 0 EDADMP O=S(=O)(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)CCc1ccccc1 ZINC000282567209 443376746 /nfs/dbraw/zinc/37/67/46/443376746.db2.gz TUVWQAUOTJLDOZ-MSOLQXFVSA-N 2 1 336.501 1.860 20 0 EDADMP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000272623102 443386099 /nfs/dbraw/zinc/38/60/99/443386099.db2.gz YMIXWNHDSYOOBU-XUVXKRRUSA-N 3 1 343.515 1.943 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267232093 443386617 /nfs/dbraw/zinc/38/66/17/443386617.db2.gz PNVRFKVSTKDBAX-UHFFFAOYSA-N 2 1 333.476 1.600 20 0 EDADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000282509057 443359564 /nfs/dbraw/zinc/35/95/64/443359564.db2.gz OHONXQKPOINKAY-MRXNPFEDSA-N 2 1 344.459 1.429 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000282509057 443359566 /nfs/dbraw/zinc/35/95/66/443359566.db2.gz OHONXQKPOINKAY-MRXNPFEDSA-N 2 1 344.459 1.429 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267290571 443407008 /nfs/dbraw/zinc/40/70/08/443407008.db2.gz XQOZQCIGWMWXMY-IHPCNDPISA-N 2 1 347.503 1.495 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[NH+](C2CCC2)CC1 ZINC000264993974 443503574 /nfs/dbraw/zinc/50/35/74/443503574.db2.gz LAYBSNBBGYEBDZ-UHFFFAOYSA-N 2 1 342.487 1.924 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NCC2=CC[N@H+](C)CC2)c2ccccc2)CC1 ZINC000271871045 443516833 /nfs/dbraw/zinc/51/68/33/443516833.db2.gz LNVZJVFTJPTZFV-LJQANCHMSA-N 2 1 342.487 1.353 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NCC2=CC[N@@H+](C)CC2)c2ccccc2)CC1 ZINC000271871045 443516836 /nfs/dbraw/zinc/51/68/36/443516836.db2.gz LNVZJVFTJPTZFV-LJQANCHMSA-N 2 1 342.487 1.353 20 0 EDADMP CC[NH+](CC)CCOCC[N@@H+](CCC(=O)NC)Cc1ccccc1 ZINC000273098788 443538523 /nfs/dbraw/zinc/53/85/23/443538523.db2.gz VEJWWVAOPRJQQX-UHFFFAOYSA-N 2 1 335.492 1.983 20 0 EDADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000272279296 443577171 /nfs/dbraw/zinc/57/71/71/443577171.db2.gz DHMQWHRRUYBDMM-UHFFFAOYSA-N 2 1 325.478 1.338 20 0 EDADMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000265265497 443588312 /nfs/dbraw/zinc/58/83/12/443588312.db2.gz ZJSQYALBBAGQBN-UHFFFAOYSA-N 2 1 337.439 1.933 20 0 EDADMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000265265497 443588315 /nfs/dbraw/zinc/58/83/15/443588315.db2.gz ZJSQYALBBAGQBN-UHFFFAOYSA-N 2 1 337.439 1.933 20 0 EDADMP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000279954353 443649342 /nfs/dbraw/zinc/64/93/42/443649342.db2.gz ORFFGGPRSFFZJG-QAPCUYQASA-N 2 1 331.460 1.589 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440861348 320084330 /nfs/dbraw/zinc/08/43/30/320084330.db2.gz QNURMCWYODLRNU-UYSNPLJNSA-N 2 1 326.485 1.127 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441345408 320093716 /nfs/dbraw/zinc/09/37/16/320093716.db2.gz GSDMBFUOOHTHST-KRWDZBQOSA-N 2 1 336.524 1.536 20 0 EDADMP Cc1cnc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)nc1N1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000443521854 320108309 /nfs/dbraw/zinc/10/83/09/320108309.db2.gz KMGJNNKYPNACOT-TWMKSMIVSA-N 2 1 346.523 1.843 20 0 EDADMP Cc1cnc(N2C[C@H](C)[NH+](C)C[C@@H]2C)nc1N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000443521854 320108310 /nfs/dbraw/zinc/10/83/10/320108310.db2.gz KMGJNNKYPNACOT-TWMKSMIVSA-N 2 1 346.523 1.843 20 0 EDADMP Cc1cnc(N2C[C@H](C)[NH+](C)C[C@@H]2C)nc1N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000443521854 320108311 /nfs/dbraw/zinc/10/83/11/320108311.db2.gz KMGJNNKYPNACOT-TWMKSMIVSA-N 2 1 346.523 1.843 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000452157853 320245054 /nfs/dbraw/zinc/24/50/54/320245054.db2.gz YKEMKPBZIPPVJB-MJGOQNOKSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000457142690 320320582 /nfs/dbraw/zinc/32/05/82/320320582.db2.gz ZICTYKKCBIWABY-PKOBYXMFSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000457142690 320320583 /nfs/dbraw/zinc/32/05/83/320320583.db2.gz ZICTYKKCBIWABY-PKOBYXMFSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000457142690 320320584 /nfs/dbraw/zinc/32/05/84/320320584.db2.gz ZICTYKKCBIWABY-PKOBYXMFSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000457142690 320320585 /nfs/dbraw/zinc/32/05/85/320320585.db2.gz ZICTYKKCBIWABY-PKOBYXMFSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000457705668 320332493 /nfs/dbraw/zinc/33/24/93/320332493.db2.gz ZOCMSPAPWJLFPS-NVXWUHKLSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000457705668 320332494 /nfs/dbraw/zinc/33/24/94/320332494.db2.gz ZOCMSPAPWJLFPS-NVXWUHKLSA-N 2 1 340.512 1.205 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000458127148 320336513 /nfs/dbraw/zinc/33/65/13/320336513.db2.gz IBRYGBCMSCYFAK-QGZVFWFLSA-N 2 1 340.512 1.254 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000276326489 443688263 /nfs/dbraw/zinc/68/82/63/443688263.db2.gz YODZIRZTIDVLKZ-UHFFFAOYSA-N 2 1 348.491 1.264 20 0 EDADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCC(=O)N2 ZINC000286251191 443676515 /nfs/dbraw/zinc/67/65/15/443676515.db2.gz UKJNTCNARFBLJI-HOCLYGCPSA-N 2 1 347.459 1.905 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000497244477 320420928 /nfs/dbraw/zinc/42/09/28/320420928.db2.gz PJSMXSVOUZDTDE-SUMWQHHRSA-N 2 1 340.468 1.693 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCS(=O)(=O)N(C)C)C2)[nH+]1 ZINC000286360740 443698186 /nfs/dbraw/zinc/69/81/86/443698186.db2.gz JJUCEIOFCXPQHU-CQSZACIVSA-N 2 1 326.466 1.015 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@H+](CCS(=O)(=O)N(C)C)C2)[nH+]1 ZINC000286360740 443698189 /nfs/dbraw/zinc/69/81/89/443698189.db2.gz JJUCEIOFCXPQHU-CQSZACIVSA-N 2 1 326.466 1.015 20 0 EDADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3sccc3C(N)=O)C2)C1 ZINC000292245411 443785871 /nfs/dbraw/zinc/78/58/71/443785871.db2.gz XETUPJWQLJVAMX-MRXNPFEDSA-N 2 1 336.461 1.203 20 0 EDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3sccc3C(N)=O)C2)C1 ZINC000292245411 443785875 /nfs/dbraw/zinc/78/58/75/443785875.db2.gz XETUPJWQLJVAMX-MRXNPFEDSA-N 2 1 336.461 1.203 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3sccc3C(N)=O)C2)C1 ZINC000292245411 443785880 /nfs/dbraw/zinc/78/58/80/443785880.db2.gz XETUPJWQLJVAMX-MRXNPFEDSA-N 2 1 336.461 1.203 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3sccc3C(N)=O)C2)C1 ZINC000292245411 443785884 /nfs/dbraw/zinc/78/58/84/443785884.db2.gz XETUPJWQLJVAMX-MRXNPFEDSA-N 2 1 336.461 1.203 20 0 EDADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NC(N)=O ZINC000298887216 443892436 /nfs/dbraw/zinc/89/24/36/443892436.db2.gz SJCXKNXBAVQTOP-UONOGXRCSA-N 2 1 332.448 1.734 20 0 EDADMP Cc1[nH+]ccn1CCCNc1cc(N2CCCC[C@@H]2CO)ncn1 ZINC000277313938 443961836 /nfs/dbraw/zinc/96/18/36/443961836.db2.gz CSWMQJRDILVOAD-OAHLLOKOSA-N 2 1 330.436 1.835 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000299466309 444053613 /nfs/dbraw/zinc/05/36/13/444053613.db2.gz ZMQSIFNFXZMGNM-UHFFFAOYSA-N 2 1 334.464 1.474 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+]C(C)(C)c2ccccc2)C1 ZINC000299564957 444080831 /nfs/dbraw/zinc/08/08/31/444080831.db2.gz AOLWBOZCEYXHKS-SFHVURJKSA-N 2 1 347.503 1.984 20 0 EDADMP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000561284750 321038880 /nfs/dbraw/zinc/03/88/80/321038880.db2.gz RPCVYYQHOFYWEQ-HZPDHXFCSA-N 2 1 346.475 1.392 20 0 EDADMP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000561284750 321038881 /nfs/dbraw/zinc/03/88/81/321038881.db2.gz RPCVYYQHOFYWEQ-HZPDHXFCSA-N 2 1 346.475 1.392 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000562674417 321068834 /nfs/dbraw/zinc/06/88/34/321068834.db2.gz DJGCAKKMMMTORV-JKSUJKDBSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000562674417 321068836 /nfs/dbraw/zinc/06/88/36/321068836.db2.gz DJGCAKKMMMTORV-JKSUJKDBSA-N 2 1 340.512 1.253 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000562674417 321068837 /nfs/dbraw/zinc/06/88/37/321068837.db2.gz DJGCAKKMMMTORV-JKSUJKDBSA-N 2 1 340.512 1.253 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000562811448 321077784 /nfs/dbraw/zinc/07/77/84/321077784.db2.gz STWOGDNBZOPYMQ-CZUORRHYSA-N 2 1 331.464 1.787 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NCc2ccc(C[NH3+])cc2)CCCO1 ZINC000563091804 321094865 /nfs/dbraw/zinc/09/48/65/321094865.db2.gz FFUVJSJOVDMABZ-HNNXBMFYSA-N 2 1 334.464 1.445 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000564910635 321155993 /nfs/dbraw/zinc/15/59/93/321155993.db2.gz ICXPZELYIYSVNX-GOEBONIOSA-N 2 1 338.496 1.001 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000565038722 321165497 /nfs/dbraw/zinc/16/54/97/321165497.db2.gz VMGNIZRKMLLMLP-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000565041394 321166059 /nfs/dbraw/zinc/16/60/59/321166059.db2.gz QZMDKHXMEOYXAQ-APWZRJJASA-N 2 1 330.476 1.455 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000565881658 321204891 /nfs/dbraw/zinc/20/48/91/321204891.db2.gz SJYQIARPDIRVEE-SFHVURJKSA-N 2 1 345.491 1.067 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)CCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000566165426 321220566 /nfs/dbraw/zinc/22/05/66/321220566.db2.gz PCQGZAUXBLTGKV-SFHVURJKSA-N 2 1 332.492 1.610 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)CCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000566165426 321220567 /nfs/dbraw/zinc/22/05/67/321220567.db2.gz PCQGZAUXBLTGKV-SFHVURJKSA-N 2 1 332.492 1.610 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)CCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000566165426 321220569 /nfs/dbraw/zinc/22/05/69/321220569.db2.gz PCQGZAUXBLTGKV-SFHVURJKSA-N 2 1 332.492 1.610 20 0 EDADMP CC(C)[C@H](C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H](C)[NH3+] ZINC000566971859 321237579 /nfs/dbraw/zinc/23/75/79/321237579.db2.gz QSORGURVCISIEH-QAPCUYQASA-N 2 1 332.492 1.992 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@@H+]1C ZINC000567569723 321245976 /nfs/dbraw/zinc/24/59/76/321245976.db2.gz ULTVZQIAPHNBIS-QGZVFWFLSA-N 2 1 344.459 1.069 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1C ZINC000567569723 321245978 /nfs/dbraw/zinc/24/59/78/321245978.db2.gz ULTVZQIAPHNBIS-QGZVFWFLSA-N 2 1 344.459 1.069 20 0 EDADMP Cc1ccc2nc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cc(=O)n2c1 ZINC000567894704 321266840 /nfs/dbraw/zinc/26/68/40/321266840.db2.gz PIGYPTDRNWMJFA-HNNXBMFYSA-N 2 1 342.443 1.190 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)Cc1ccccc1C(F)(F)F ZINC000570569929 321348534 /nfs/dbraw/zinc/34/85/34/321348534.db2.gz HJZMZHDFVWFIFH-HUUCEWRRSA-N 2 1 346.393 1.655 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nnnn3CC2)C[C@@H]1c1ccccc1 ZINC000570953188 321366513 /nfs/dbraw/zinc/36/65/13/321366513.db2.gz VSFZSJMGDOFKRN-IXDOHACOSA-N 2 1 326.448 1.803 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nnnn3CC2)C[C@@H]1c1ccccc1 ZINC000570953188 321366514 /nfs/dbraw/zinc/36/65/14/321366514.db2.gz VSFZSJMGDOFKRN-IXDOHACOSA-N 2 1 326.448 1.803 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000571487715 321388464 /nfs/dbraw/zinc/38/84/64/321388464.db2.gz DLVWNENVCBSXBV-LJQANCHMSA-N 2 1 327.472 1.640 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNCc1c(F)ccc(O)c1F ZINC000294282367 444110891 /nfs/dbraw/zinc/11/08/91/444110891.db2.gz OYELGIPTKIHOQA-AWEZNQCLSA-N 2 1 341.402 1.703 20 0 EDADMP C[C@H]([NH2+][C@H]1COC[C@H]1n1ccnn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289532986 444165850 /nfs/dbraw/zinc/16/58/50/444165850.db2.gz QANHKAZBLZYSDO-WZGPROSRSA-N 2 1 341.459 1.718 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000289902554 444217166 /nfs/dbraw/zinc/21/71/66/444217166.db2.gz MZVCVCMDFNHEMP-IEBWSBKVSA-N 2 1 344.503 1.655 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289778908 444202148 /nfs/dbraw/zinc/20/21/48/444202148.db2.gz IYHTVTSEMPHCQZ-SJORKVTESA-N 2 1 347.459 1.247 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](C[C@@H](O)COc3ccccc3)C2)CC1 ZINC000304713478 444251894 /nfs/dbraw/zinc/25/18/94/444251894.db2.gz MOXSTWMEBYTJBD-RTBURBONSA-N 2 1 347.503 1.528 20 0 EDADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C[C@@H](O)COc3ccccc3)C2)CC1 ZINC000304713478 444251896 /nfs/dbraw/zinc/25/18/96/444251896.db2.gz MOXSTWMEBYTJBD-RTBURBONSA-N 2 1 347.503 1.528 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000305701942 444273596 /nfs/dbraw/zinc/27/35/96/444273596.db2.gz UQGQNNSGGDTWDG-GUDVDZBRSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)N1CC(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000297015647 444268245 /nfs/dbraw/zinc/26/82/45/444268245.db2.gz HTUQSJQUBBRUIW-SFHVURJKSA-N 2 1 331.460 1.393 20 0 EDADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)CN3CCCC3=O)C2)CC1 ZINC000304042635 444241038 /nfs/dbraw/zinc/24/10/38/444241038.db2.gz IXXGJURPBLZMFX-QZTJIDSGSA-N 2 1 337.508 1.414 20 0 EDADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)CN3CCCC3=O)C2)CC1 ZINC000304042635 444241039 /nfs/dbraw/zinc/24/10/39/444241039.db2.gz IXXGJURPBLZMFX-QZTJIDSGSA-N 2 1 337.508 1.414 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000290645640 444305344 /nfs/dbraw/zinc/30/53/44/444305344.db2.gz YUGPLBOLJVUMMX-UHFFFAOYSA-N 2 1 346.479 1.592 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000290645640 444305345 /nfs/dbraw/zinc/30/53/45/444305345.db2.gz YUGPLBOLJVUMMX-UHFFFAOYSA-N 2 1 346.479 1.592 20 0 EDADMP C[C@H](c1ccc(NC(=O)N[C@H]2CCC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000577601296 321666226 /nfs/dbraw/zinc/66/62/26/321666226.db2.gz SCXWPYOPJMSBDN-PBHICJAKSA-N 2 1 332.448 1.953 20 0 EDADMP COc1ccc2c(c1)C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CO2 ZINC000297704499 444321301 /nfs/dbraw/zinc/32/13/01/444321301.db2.gz MNZUFOHQFCXYJH-SFHVURJKSA-N 2 1 347.503 1.862 20 0 EDADMP C[N@H+](CCc1cn[nH]c1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000297820795 444338560 /nfs/dbraw/zinc/33/85/60/444338560.db2.gz YXEPTGHDCKNPTQ-UHFFFAOYSA-N 2 1 327.476 1.702 20 0 EDADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CO2 ZINC000297826139 444339238 /nfs/dbraw/zinc/33/92/38/444339238.db2.gz RONHANIVYVGZMX-SJORKVTESA-N 2 1 334.460 1.825 20 0 EDADMP CC(C)C[C@@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)[NH+]1CCOCC1 ZINC000327011841 444379531 /nfs/dbraw/zinc/37/95/31/444379531.db2.gz CFIDHEQETOGTTF-PKOBYXMFSA-N 2 1 345.487 1.737 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H](C)[NH2+]C3CC3)CC2)oc1C ZINC000579828637 321974929 /nfs/dbraw/zinc/97/49/29/321974929.db2.gz HYNMGLCBVWMHJF-CYBMUJFWSA-N 2 1 334.464 1.760 20 0 EDADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000580307622 322034192 /nfs/dbraw/zinc/03/41/92/322034192.db2.gz YKXCDTSPUOMFSR-HUUCEWRRSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)[NH+]1CCC(Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1 ZINC000580510215 322058340 /nfs/dbraw/zinc/05/83/40/322058340.db2.gz IWPCMGQOLNOXGN-UHFFFAOYSA-N 2 1 330.476 1.815 20 0 EDADMP CC(C)[NH+]1CCC(Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1 ZINC000580510215 322058342 /nfs/dbraw/zinc/05/83/42/322058342.db2.gz IWPCMGQOLNOXGN-UHFFFAOYSA-N 2 1 330.476 1.815 20 0 EDADMP C[NH+](C)C[C@@H](O)CNC[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000581488916 322183424 /nfs/dbraw/zinc/18/34/24/322183424.db2.gz DQXWSZMMVGMJIP-OALUTQOASA-N 2 1 344.455 1.605 20 0 EDADMP O=C(N[C@@H]1CCN(c2ccccn2)C1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000332702115 444529481 /nfs/dbraw/zinc/52/94/81/444529481.db2.gz SZVODLFKUVOUPM-JKSUJKDBSA-N 2 1 343.475 1.976 20 0 EDADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@H](O)C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000343706393 444533598 /nfs/dbraw/zinc/53/35/98/444533598.db2.gz GWYHOAATYDDXFM-NUJGCVRESA-N 2 1 342.524 1.984 20 0 EDADMP CC[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)[NH+](CC)CC ZINC000342202113 444562522 /nfs/dbraw/zinc/56/25/22/444562522.db2.gz HDGZQQZWVSPXDX-IPMKNSEASA-N 2 1 347.503 1.858 20 0 EDADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343765731 444575486 /nfs/dbraw/zinc/57/54/86/444575486.db2.gz IUPGFDBPJMXSHL-QIPOYEBXSA-N 2 1 335.492 1.284 20 0 EDADMP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000342158180 444540028 /nfs/dbraw/zinc/54/00/28/444540028.db2.gz GZOHABVHAVLKSR-QGZVFWFLSA-N 2 1 330.476 1.827 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000332782967 444551603 /nfs/dbraw/zinc/55/16/03/444551603.db2.gz JMQKVDMZNASQSY-WBVHZDCISA-N 3 1 333.480 1.367 20 0 EDADMP CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000332782967 444551605 /nfs/dbraw/zinc/55/16/05/444551605.db2.gz JMQKVDMZNASQSY-WBVHZDCISA-N 3 1 333.480 1.367 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CC(c3nc4ccccc4s3)C2)CC1 ZINC000338272627 444603160 /nfs/dbraw/zinc/60/31/60/444603160.db2.gz DPKZALKFIZZRQV-UHFFFAOYSA-N 2 1 344.484 1.860 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000338300359 444618053 /nfs/dbraw/zinc/61/80/53/444618053.db2.gz GWOOLHNMGGJXBY-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000338300359 444618056 /nfs/dbraw/zinc/61/80/56/444618056.db2.gz GWOOLHNMGGJXBY-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000338300359 444618057 /nfs/dbraw/zinc/61/80/57/444618057.db2.gz GWOOLHNMGGJXBY-IAGOWNOFSA-N 2 1 340.512 1.374 20 0 EDADMP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338356326 444653108 /nfs/dbraw/zinc/65/31/08/444653108.db2.gz UQYHSTJANYPUQH-GOSISDBHSA-N 2 1 339.480 1.348 20 0 EDADMP CCC[C@]1(C(=O)OCC)CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338356326 444653112 /nfs/dbraw/zinc/65/31/12/444653112.db2.gz UQYHSTJANYPUQH-GOSISDBHSA-N 2 1 339.480 1.348 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[N@H+]1C ZINC000341214343 444733013 /nfs/dbraw/zinc/73/30/13/444733013.db2.gz YSCBBYRKFKZJNY-PMPSAXMXSA-N 2 1 326.485 1.221 20 0 EDADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343984981 444709542 /nfs/dbraw/zinc/70/95/42/444709542.db2.gz MEYXLGFYRWWBSJ-MRXNPFEDSA-N 2 1 329.448 1.923 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000333902535 444713948 /nfs/dbraw/zinc/71/39/48/444713948.db2.gz BWJWKOVXWXDEPU-HUUCEWRRSA-N 2 1 326.485 1.175 20 0 EDADMP CC[C@H]1CN(C(=O)NCCC[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000343992692 444714900 /nfs/dbraw/zinc/71/49/00/444714900.db2.gz NGUYZQHXEMOXQG-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCOC1 ZINC000341134425 444690680 /nfs/dbraw/zinc/69/06/80/444690680.db2.gz UKLOBUHWMNQTCW-SJLPKXTDSA-N 2 1 340.512 1.471 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000342433913 444690802 /nfs/dbraw/zinc/69/08/02/444690802.db2.gz WLNLGBNXLZTJOF-OAHLLOKOSA-N 2 1 334.439 1.923 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)[C@@H](C)C1 ZINC000334095485 444778901 /nfs/dbraw/zinc/77/89/01/444778901.db2.gz RJBJQSTZAGPEFX-LSDHHAIUSA-N 2 1 338.496 1.100 20 0 EDADMP COC(=O)[C@@](C)(O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000336789380 444795597 /nfs/dbraw/zinc/79/55/97/444795597.db2.gz JEDWTMOLTMQNHU-IBGZPJMESA-N 2 1 346.471 1.899 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000342766559 444855876 /nfs/dbraw/zinc/85/58/76/444855876.db2.gz VYSJULDYSBWYQO-GDBMZVCRSA-N 2 1 344.459 1.322 20 0 EDADMP COCC[N@H+](C)CC[C@H](NC(=O)[C@H]1[NH2+]CCO[C@H]1C)c1ccccc1 ZINC000344439306 444972065 /nfs/dbraw/zinc/97/20/65/444972065.db2.gz KBOLWCGPHGSOMM-SZMVWBNQSA-N 2 1 349.475 1.189 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)[C@H]1[NH2+]CCO[C@H]1C)c1ccccc1 ZINC000344439306 444972067 /nfs/dbraw/zinc/97/20/67/444972067.db2.gz KBOLWCGPHGSOMM-SZMVWBNQSA-N 2 1 349.475 1.189 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000341668056 444940527 /nfs/dbraw/zinc/94/05/27/444940527.db2.gz VGDSUUDCTFGGSR-DLBZAZTESA-N 2 1 325.497 1.581 20 0 EDADMP CS[C@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@H]1N(C)C ZINC000337318964 445030769 /nfs/dbraw/zinc/03/07/69/445030769.db2.gz NJIMMOMJFQMAEF-SJORKVTESA-N 2 1 328.570 1.380 20 0 EDADMP CS[C@H]1CN(CCCN2CC[NH+](C(C)C)CC2)C[C@H]1[NH+](C)C ZINC000337318964 445030771 /nfs/dbraw/zinc/03/07/71/445030771.db2.gz NJIMMOMJFQMAEF-SJORKVTESA-N 2 1 328.570 1.380 20 0 EDADMP Cn1nccc1[C@@H]1[C@@H](CNc2[nH+]cnc3[nH]ccc32)CCC[N@@H+]1C ZINC000344484081 445003181 /nfs/dbraw/zinc/00/31/81/445003181.db2.gz AEOMIBDLDAHREA-DOMZBBRYSA-N 2 1 325.420 2.186 20 0 EDADMP Cn1nccc1[C@@H]1[C@@H](CNc2[nH+]cnc3[nH]ccc32)CCC[N@H+]1C ZINC000344484081 445003182 /nfs/dbraw/zinc/00/31/82/445003182.db2.gz AEOMIBDLDAHREA-DOMZBBRYSA-N 2 1 325.420 2.186 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)Cc1ccc(F)cc1 ZINC000339044855 445006028 /nfs/dbraw/zinc/00/60/28/445006028.db2.gz OSZRTIQUTGHBIA-NCXUSEDFSA-N 2 1 336.451 1.913 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000339060508 445013457 /nfs/dbraw/zinc/01/34/57/445013457.db2.gz ZJVYDJARBKOGKI-AHRSYUTCSA-N 2 1 349.494 1.687 20 0 EDADMP O=C(c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)N1CCOCC1 ZINC000339066847 445016966 /nfs/dbraw/zinc/01/69/66/445016966.db2.gz KZFWUKBCNHUBFM-RBUKOAKNSA-N 2 1 343.471 1.875 20 0 EDADMP O=C(c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1)N1CCOCC1 ZINC000339066847 445016969 /nfs/dbraw/zinc/01/69/69/445016969.db2.gz KZFWUKBCNHUBFM-RBUKOAKNSA-N 2 1 343.471 1.875 20 0 EDADMP C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000344577249 445070548 /nfs/dbraw/zinc/07/05/48/445070548.db2.gz WLTIVRLITNIQRZ-INIZCTEOSA-N 2 1 345.487 1.667 20 0 EDADMP C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000344577249 445070550 /nfs/dbraw/zinc/07/05/50/445070550.db2.gz WLTIVRLITNIQRZ-INIZCTEOSA-N 2 1 345.487 1.667 20 0 EDADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000339430338 445138258 /nfs/dbraw/zinc/13/82/58/445138258.db2.gz UUIIFKGNOBMUOZ-IBGZPJMESA-N 2 1 344.459 1.532 20 0 EDADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000339430338 445138262 /nfs/dbraw/zinc/13/82/62/445138262.db2.gz UUIIFKGNOBMUOZ-IBGZPJMESA-N 2 1 344.459 1.532 20 0 EDADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000339430338 445138266 /nfs/dbraw/zinc/13/82/66/445138266.db2.gz UUIIFKGNOBMUOZ-IBGZPJMESA-N 2 1 344.459 1.532 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000339223557 445098556 /nfs/dbraw/zinc/09/85/56/445098556.db2.gz BVHCEURSFVNIQO-HOTGVXAUSA-N 2 1 325.497 1.722 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000342020502 445127366 /nfs/dbraw/zinc/12/73/66/445127366.db2.gz OCTJNEOFNWEGKR-ZBFHGGJFSA-N 2 1 325.522 1.662 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000344686643 445127769 /nfs/dbraw/zinc/12/77/69/445127769.db2.gz BPWZYJQRAPOCRM-CABCVRRESA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000345177918 445172172 /nfs/dbraw/zinc/17/21/72/445172172.db2.gz DPOQKLIQCBQWPW-BHIYHBOVSA-N 2 1 328.460 1.744 20 0 EDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000345177918 445172177 /nfs/dbraw/zinc/17/21/77/445172177.db2.gz DPOQKLIQCBQWPW-BHIYHBOVSA-N 2 1 328.460 1.744 20 0 EDADMP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342108062 445175985 /nfs/dbraw/zinc/17/59/85/445175985.db2.gz QLLJIVSSQVWCTN-QPSCCSFWSA-N 2 1 342.443 1.419 20 0 EDADMP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342108062 445175988 /nfs/dbraw/zinc/17/59/88/445175988.db2.gz QLLJIVSSQVWCTN-QPSCCSFWSA-N 2 1 342.443 1.419 20 0 EDADMP CN(CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000342111240 445177792 /nfs/dbraw/zinc/17/77/92/445177792.db2.gz UHQSKGDYGGMKHT-UHOSZYNNSA-N 2 1 344.503 1.688 20 0 EDADMP C[NH+]1CCC([C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)C2)CC1 ZINC000339463800 445144582 /nfs/dbraw/zinc/14/45/82/445144582.db2.gz FQJRVDCVJRHRCQ-GOSISDBHSA-N 2 1 337.508 1.679 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CCC[N@H+]1C ZINC000345745554 445198208 /nfs/dbraw/zinc/19/82/08/445198208.db2.gz KYCAYURIKQVLEP-BZUAXINKSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CCC[N@H+]1C ZINC000345745556 445198215 /nfs/dbraw/zinc/19/82/15/445198215.db2.gz KYCAYURIKQVLEP-OAGGEKHMSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1[C@@H]([NH+](C)CCO)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000347085554 445231292 /nfs/dbraw/zinc/23/12/92/445231292.db2.gz LYWQAYYWYUQRQQ-RYRKJORJSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000347085554 445231294 /nfs/dbraw/zinc/23/12/94/445231294.db2.gz LYWQAYYWYUQRQQ-RYRKJORJSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000347085554 445231296 /nfs/dbraw/zinc/23/12/96/445231296.db2.gz LYWQAYYWYUQRQQ-RYRKJORJSA-N 2 1 337.508 1.555 20 0 EDADMP CC[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)[NH+](C)C ZINC000347905637 445255680 /nfs/dbraw/zinc/25/56/80/445255680.db2.gz SDNGYQLGSBYCOQ-UXLLHSPISA-N 2 1 335.496 1.602 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1cnn(C)c1 ZINC000348110046 445272485 /nfs/dbraw/zinc/27/24/85/445272485.db2.gz BEFWDFQYWBQMQU-IAGOWNOFSA-N 2 1 334.443 1.469 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1cnn(C)c1 ZINC000348110046 445272487 /nfs/dbraw/zinc/27/24/87/445272487.db2.gz BEFWDFQYWBQMQU-IAGOWNOFSA-N 2 1 334.443 1.469 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000351838830 445338938 /nfs/dbraw/zinc/33/89/38/445338938.db2.gz KOPNVBPEFQPFEZ-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000351838830 445338940 /nfs/dbraw/zinc/33/89/40/445338940.db2.gz KOPNVBPEFQPFEZ-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351847548 445341979 /nfs/dbraw/zinc/34/19/79/445341979.db2.gz AJLLHVDBNFBHFE-DOTOQJQBSA-N 2 1 333.476 1.899 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351847548 445341981 /nfs/dbraw/zinc/34/19/81/445341981.db2.gz AJLLHVDBNFBHFE-DOTOQJQBSA-N 2 1 333.476 1.899 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000351854823 445344277 /nfs/dbraw/zinc/34/42/77/445344277.db2.gz RSXGWRGGCQEJBD-GHMZBOCLSA-N 2 1 338.839 1.437 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000348557920 445325352 /nfs/dbraw/zinc/32/53/52/445325352.db2.gz RKSCWEWDWRRQIG-KXBFYZLASA-N 2 1 341.459 1.871 20 0 EDADMP CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354849694 445423799 /nfs/dbraw/zinc/42/37/99/445423799.db2.gz LXHROSREXIPJHT-SJLPKXTDSA-N 2 1 326.481 1.744 20 0 EDADMP CCOC(=O)[C@](C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354849694 445423803 /nfs/dbraw/zinc/42/38/03/445423803.db2.gz LXHROSREXIPJHT-SJLPKXTDSA-N 2 1 326.481 1.744 20 0 EDADMP c1c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)nnn1Cc1cccnc1 ZINC000357055330 445398700 /nfs/dbraw/zinc/39/87/00/445398700.db2.gz QULJAFQNLZUJLI-KRWDZBQOSA-N 2 1 326.448 1.543 20 0 EDADMP Cc1cnc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C ZINC000348907709 445437798 /nfs/dbraw/zinc/43/77/98/445437798.db2.gz YIMBBXIOMHXLEK-UHFFFAOYSA-N 2 1 347.507 1.543 20 0 EDADMP COc1ccc(C)cc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000348932699 445446148 /nfs/dbraw/zinc/44/61/48/445446148.db2.gz GECAGZQNDDOAKF-UHFFFAOYSA-N 2 1 345.487 1.990 20 0 EDADMP CCOC(=O)c1coc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000349036026 445483563 /nfs/dbraw/zinc/48/35/63/445483563.db2.gz LQIWXYOWRAZEKH-UHFFFAOYSA-N 2 1 349.475 1.916 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC000355371672 445456123 /nfs/dbraw/zinc/45/61/23/445456123.db2.gz RGCFBUMTNJOLAJ-SQNIBIBYSA-N 2 1 337.508 1.819 20 0 EDADMP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@H]2C1 ZINC000355371669 445456520 /nfs/dbraw/zinc/45/65/20/445456520.db2.gz RGCFBUMTNJOLAJ-BZSNNMDCSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)CCOC3C[NH2+]C3)c2)C[C@H](C)O1 ZINC000348988647 445467003 /nfs/dbraw/zinc/46/70/03/445467003.db2.gz BOKJULNHCCUQLO-GJZGRUSLSA-N 2 1 347.459 1.613 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N3C[C@H]([NH+](C)C)[C@@H](C)C3)CC2)[nH+]c1 ZINC000362703853 445509528 /nfs/dbraw/zinc/50/95/28/445509528.db2.gz MUHCRJQKFAQEDH-RDJZCZTQSA-N 2 1 345.491 1.950 20 0 EDADMP C[C@H](C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000357226300 445492167 /nfs/dbraw/zinc/49/21/67/445492167.db2.gz OKURWBQJLVYKDT-INIZCTEOSA-N 2 1 330.476 1.123 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)c2ccco2)C1)C1CC1 ZINC000352116746 445503819 /nfs/dbraw/zinc/50/38/19/445503819.db2.gz ZPTRLLCJQOWCQG-ZBFHGGJFSA-N 2 1 335.448 1.177 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)c2ccco2)C1)C1CC1 ZINC000352116746 445503825 /nfs/dbraw/zinc/50/38/25/445503825.db2.gz ZPTRLLCJQOWCQG-ZBFHGGJFSA-N 2 1 335.448 1.177 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1)C1CC1 ZINC000352116746 445503830 /nfs/dbraw/zinc/50/38/30/445503830.db2.gz ZPTRLLCJQOWCQG-ZBFHGGJFSA-N 2 1 335.448 1.177 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)c2ccco2)C1)C1CC1 ZINC000352116746 445503837 /nfs/dbraw/zinc/50/38/37/445503837.db2.gz ZPTRLLCJQOWCQG-ZBFHGGJFSA-N 2 1 335.448 1.177 20 0 EDADMP C[N@@H+](CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)C1CCCCC1 ZINC000362804334 445557368 /nfs/dbraw/zinc/55/73/68/445557368.db2.gz DPWIKJUAAOVIHE-INIZCTEOSA-N 2 1 333.480 1.802 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000360125034 445580839 /nfs/dbraw/zinc/58/08/39/445580839.db2.gz NFEFZGNRROJPRQ-JKSUJKDBSA-N 2 1 342.528 1.449 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000360125646 445581901 /nfs/dbraw/zinc/58/19/01/445581901.db2.gz QBMGPOYGBMPJEH-GJZGRUSLSA-N 2 1 328.501 1.202 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000360125646 445581902 /nfs/dbraw/zinc/58/19/02/445581902.db2.gz QBMGPOYGBMPJEH-GJZGRUSLSA-N 2 1 328.501 1.202 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000360125646 445581904 /nfs/dbraw/zinc/58/19/04/445581904.db2.gz QBMGPOYGBMPJEH-GJZGRUSLSA-N 2 1 328.501 1.202 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000360135422 445587749 /nfs/dbraw/zinc/58/77/49/445587749.db2.gz JHVSKJOFTVAKKC-HNNXBMFYSA-N 2 1 328.501 1.250 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000357320643 445546785 /nfs/dbraw/zinc/54/67/85/445546785.db2.gz ZEKQWXZBESWTLT-GPMSIDNRSA-N 2 1 344.503 1.550 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000360170789 445609826 /nfs/dbraw/zinc/60/98/26/445609826.db2.gz KWFHTAFKYDISQY-UHFFFAOYSA-N 2 1 340.512 1.214 20 0 EDADMP CC(C)C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C)[NH+]1CCOCC1 ZINC000353473719 445617553 /nfs/dbraw/zinc/61/75/53/445617553.db2.gz UYLHFVIQGYERGQ-IKGGRYGDSA-N 2 1 325.497 1.484 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000349682514 445644421 /nfs/dbraw/zinc/64/44/21/445644421.db2.gz BTJVYEPUZWWQLG-IRXDYDNUSA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)C1 ZINC000349682514 445644427 /nfs/dbraw/zinc/64/44/27/445644427.db2.gz BTJVYEPUZWWQLG-IRXDYDNUSA-N 2 1 340.512 1.325 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)C1 ZINC000349682514 445644431 /nfs/dbraw/zinc/64/44/31/445644431.db2.gz BTJVYEPUZWWQLG-IRXDYDNUSA-N 2 1 340.512 1.325 20 0 EDADMP COC(=O)[C@@H]1CCC[N@H+](CCCc2ccc(C)nc2)[C@H]1C(=O)OC ZINC000353645857 445691285 /nfs/dbraw/zinc/69/12/85/445691285.db2.gz CTCUSHLKOMYCSS-HZPDHXFCSA-N 2 1 334.416 1.749 20 0 EDADMP O=C(C[N@@H+]1CCCOCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000363153455 445698674 /nfs/dbraw/zinc/69/86/74/445698674.db2.gz QVALCVRPALNRQP-UHFFFAOYSA-N 2 1 331.460 1.621 20 0 EDADMP O=C(C[N@H+]1CCCOCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000363153455 445698679 /nfs/dbraw/zinc/69/86/79/445698679.db2.gz QVALCVRPALNRQP-UHFFFAOYSA-N 2 1 331.460 1.621 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1 ZINC000363206850 445720935 /nfs/dbraw/zinc/72/09/35/445720935.db2.gz RRJSLPQFPFIGTH-UHFFFAOYSA-N 2 1 343.431 1.452 20 0 EDADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363081946 445670021 /nfs/dbraw/zinc/67/00/21/445670021.db2.gz VHLGRZDORSCPMY-DLBZAZTESA-N 2 1 335.492 1.765 20 0 EDADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363081949 445670230 /nfs/dbraw/zinc/67/02/30/445670230.db2.gz VHLGRZDORSCPMY-SJORKVTESA-N 2 1 335.492 1.765 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000356199258 445671299 /nfs/dbraw/zinc/67/12/99/445671299.db2.gz ADJAUJKJAJAIPN-KRWDZBQOSA-N 2 1 338.496 1.225 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)CCCCO)CC1 ZINC000349938151 445727179 /nfs/dbraw/zinc/72/71/79/445727179.db2.gz WFMQWZJBGLUHLX-UHFFFAOYSA-N 2 1 347.503 1.780 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000360915355 445738401 /nfs/dbraw/zinc/73/84/01/445738401.db2.gz XTQRCVRQPZIMMU-AEFFLSMTSA-N 2 1 337.508 1.556 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000360915355 445738404 /nfs/dbraw/zinc/73/84/04/445738404.db2.gz XTQRCVRQPZIMMU-AEFFLSMTSA-N 2 1 337.508 1.556 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000358727388 445745548 /nfs/dbraw/zinc/74/55/48/445745548.db2.gz RFZDZGKULXSVNG-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000350370201 445818927 /nfs/dbraw/zinc/81/89/27/445818927.db2.gz UZIXHCHGYRUOGF-IXDOHACOSA-N 2 1 341.496 1.055 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000350370201 445818932 /nfs/dbraw/zinc/81/89/32/445818932.db2.gz UZIXHCHGYRUOGF-IXDOHACOSA-N 2 1 341.496 1.055 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000358884735 445831457 /nfs/dbraw/zinc/83/14/57/445831457.db2.gz HXUTXKLGVMRZIJ-SJORKVTESA-N 2 1 341.544 1.384 20 0 EDADMP CN(CCCN(C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)CC[NH+](C)C ZINC000358884735 445831460 /nfs/dbraw/zinc/83/14/60/445831460.db2.gz HXUTXKLGVMRZIJ-SJORKVTESA-N 2 1 341.544 1.384 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000361479091 445779817 /nfs/dbraw/zinc/77/98/17/445779817.db2.gz RATCTQGYLCXVDA-NZSAHSFTSA-N 2 1 348.535 1.392 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000358848950 445808410 /nfs/dbraw/zinc/80/84/10/445808410.db2.gz AZVWJLJOHNYABP-SJORKVTESA-N 2 1 337.439 1.341 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)[C@@H](C)C1 ZINC000353979490 445837943 /nfs/dbraw/zinc/83/79/43/445837943.db2.gz QZGQJNDXIRBFMV-XWDNEUNKSA-N 2 1 336.524 1.390 20 0 EDADMP Cn1cc([C@@H]2[C@H](CNC(=O)CC3CC[NH+](C)CC3)CCC[N@H+]2C)cn1 ZINC000365971729 445935632 /nfs/dbraw/zinc/93/56/32/445935632.db2.gz JGMYNMDMTZAZIE-LPHOPBHVSA-N 2 1 347.507 1.651 20 0 EDADMP C[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000369128796 445944065 /nfs/dbraw/zinc/94/40/65/445944065.db2.gz YGEAULJUWYWFJH-GTPINHCMSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@@]2(F)CC[NH2+]C2)C[C@H](C)O1 ZINC000361711548 445892388 /nfs/dbraw/zinc/89/23/88/445892388.db2.gz SUHCSBGUZGXGQF-ZRGWGRIASA-N 2 1 349.450 1.614 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@@]2(F)CC[NH2+]C2)C[C@H](C)O1 ZINC000361711548 445892392 /nfs/dbraw/zinc/89/23/92/445892392.db2.gz SUHCSBGUZGXGQF-ZRGWGRIASA-N 2 1 349.450 1.614 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCC3CC[NH2+]CC3)CC2)C1 ZINC000359214963 446044337 /nfs/dbraw/zinc/04/43/37/446044337.db2.gz HYZXDIHIDVDAOC-LJQANCHMSA-N 3 1 338.540 1.103 20 0 EDADMP CC(C)N1CCO[C@H](CN2CC[NH+](CCC3CC[NH2+]CC3)CC2)C1 ZINC000359214963 446044340 /nfs/dbraw/zinc/04/43/40/446044340.db2.gz HYZXDIHIDVDAOC-LJQANCHMSA-N 2 1 338.540 1.103 20 0 EDADMP O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000583760051 326135081 /nfs/dbraw/zinc/13/50/81/326135081.db2.gz VRXUVGKHMAVSGX-BRWVUGGUSA-N 2 1 343.475 1.311 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn2c1OCCC2 ZINC000583825832 326147622 /nfs/dbraw/zinc/14/76/22/326147622.db2.gz GWUWVFBTIYLCIG-OAHLLOKOSA-N 2 1 349.479 1.154 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351474163 446075148 /nfs/dbraw/zinc/07/51/48/446075148.db2.gz FSDJQPRELQPZKO-NILFDRSVSA-N 2 1 332.404 1.012 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351474163 446075149 /nfs/dbraw/zinc/07/51/49/446075149.db2.gz FSDJQPRELQPZKO-NILFDRSVSA-N 2 1 332.404 1.012 20 0 EDADMP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351487296 446087195 /nfs/dbraw/zinc/08/71/95/446087195.db2.gz CEVMJROCGBDRIO-USXIJHARSA-N 2 1 329.444 1.644 20 0 EDADMP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351487296 446087204 /nfs/dbraw/zinc/08/72/04/446087204.db2.gz CEVMJROCGBDRIO-USXIJHARSA-N 2 1 329.444 1.644 20 0 EDADMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351492472 446095033 /nfs/dbraw/zinc/09/50/33/446095033.db2.gz LKBZKCISJVSLPT-WGGXSYPISA-N 2 1 330.432 1.641 20 0 EDADMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351492472 446095040 /nfs/dbraw/zinc/09/50/40/446095040.db2.gz LKBZKCISJVSLPT-WGGXSYPISA-N 2 1 330.432 1.641 20 0 EDADMP CN(C)c1nc(NCCC[NH+]2CCN(c3ccccc3)CC2)cc[nH+]1 ZINC000354304843 446097558 /nfs/dbraw/zinc/09/75/58/446097558.db2.gz RUGQCORGJBWROK-UHFFFAOYSA-N 2 1 340.475 2.167 20 0 EDADMP CC[NH+](CC)CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000366268357 446116883 /nfs/dbraw/zinc/11/68/83/446116883.db2.gz UJRWNVZEILHUFC-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000366359230 446172351 /nfs/dbraw/zinc/17/23/51/446172351.db2.gz CVJYWDYZZDFTFD-CQSZACIVSA-N 2 1 346.475 1.460 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000370228543 446193911 /nfs/dbraw/zinc/19/39/11/446193911.db2.gz SOHHBSDPCSLJOV-HZPDHXFCSA-N 2 1 348.495 1.925 20 0 EDADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000370288072 446215364 /nfs/dbraw/zinc/21/53/64/446215364.db2.gz LKDWSYSDUFFNIF-GOSISDBHSA-N 2 1 336.524 1.348 20 0 EDADMP O=C(COc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000359455522 446232904 /nfs/dbraw/zinc/23/29/04/446232904.db2.gz JTSKTCBMKRDZSA-CALCHBBNSA-N 2 1 329.444 1.339 20 0 EDADMP O=C(COc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000359455522 446232908 /nfs/dbraw/zinc/23/29/08/446232908.db2.gz JTSKTCBMKRDZSA-CALCHBBNSA-N 2 1 329.444 1.339 20 0 EDADMP C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000370358935 446245473 /nfs/dbraw/zinc/24/54/73/446245473.db2.gz RWSMZVLRVREDJL-KRWDZBQOSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000370358935 446245476 /nfs/dbraw/zinc/24/54/76/446245476.db2.gz RWSMZVLRVREDJL-KRWDZBQOSA-N 2 1 330.476 1.894 20 0 EDADMP CN(c1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000359463221 446238637 /nfs/dbraw/zinc/23/86/37/446238637.db2.gz ZAEHIWJBYADHQA-ROUUACIJSA-N 3 1 328.504 1.868 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000370344390 446238755 /nfs/dbraw/zinc/23/87/55/446238755.db2.gz XBHRLZYRYASLCE-UHFFFAOYSA-N 2 1 334.464 1.037 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000365553424 446251619 /nfs/dbraw/zinc/25/16/19/446251619.db2.gz BFAPVNPEGORWIC-OAGGEKHMSA-N 2 1 338.496 1.269 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365553424 446251630 /nfs/dbraw/zinc/25/16/30/446251630.db2.gz BFAPVNPEGORWIC-OAGGEKHMSA-N 2 1 338.496 1.269 20 0 EDADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365553424 446251635 /nfs/dbraw/zinc/25/16/35/446251635.db2.gz BFAPVNPEGORWIC-OAGGEKHMSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H]1CN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000365642484 446284143 /nfs/dbraw/zinc/28/41/43/446284143.db2.gz JSUWFXPDXXPPFS-KBXCAEBGSA-N 2 1 343.487 1.503 20 0 EDADMP C[C@H]1CN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000365642484 446284147 /nfs/dbraw/zinc/28/41/47/446284147.db2.gz JSUWFXPDXXPPFS-KBXCAEBGSA-N 2 1 343.487 1.503 20 0 EDADMP C[C@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1CC(C)(C)O ZINC000365642484 446284151 /nfs/dbraw/zinc/28/41/51/446284151.db2.gz JSUWFXPDXXPPFS-KBXCAEBGSA-N 2 1 343.487 1.503 20 0 EDADMP C[C@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1CC(C)(C)O ZINC000365642484 446284155 /nfs/dbraw/zinc/28/41/55/446284155.db2.gz JSUWFXPDXXPPFS-KBXCAEBGSA-N 2 1 343.487 1.503 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000359607236 446316728 /nfs/dbraw/zinc/31/67/28/446316728.db2.gz DJSUMTBIXMIBHW-MOPGFXCFSA-N 2 1 345.487 1.744 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000359607236 446316730 /nfs/dbraw/zinc/31/67/30/446316730.db2.gz DJSUMTBIXMIBHW-MOPGFXCFSA-N 2 1 345.487 1.744 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000359607236 446316733 /nfs/dbraw/zinc/31/67/33/446316733.db2.gz DJSUMTBIXMIBHW-MOPGFXCFSA-N 2 1 345.487 1.744 20 0 EDADMP COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000365738357 446322878 /nfs/dbraw/zinc/32/28/78/446322878.db2.gz PKIBXFKAINEHNE-ZBFHGGJFSA-N 2 1 325.453 1.087 20 0 EDADMP COC[C@@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000370589399 446345499 /nfs/dbraw/zinc/34/54/99/446345499.db2.gz PUJAWBNYVRZXCE-QGZVFWFLSA-N 2 1 333.476 1.654 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](CCCOC)CC1 ZINC000365808891 446350609 /nfs/dbraw/zinc/35/06/09/446350609.db2.gz IORYHIIQWMVKTP-KRWDZBQOSA-N 2 1 342.528 1.861 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC[N@H+](CCCOC)CC1 ZINC000365808891 446350614 /nfs/dbraw/zinc/35/06/14/446350614.db2.gz IORYHIIQWMVKTP-KRWDZBQOSA-N 2 1 342.528 1.861 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000365808891 446350618 /nfs/dbraw/zinc/35/06/18/446350618.db2.gz IORYHIIQWMVKTP-KRWDZBQOSA-N 2 1 342.528 1.861 20 0 EDADMP C[NH+]1CCC2(CCCN(c3nc(N[C@@H]4CCCOC4)cc[nH+]3)C2)CC1 ZINC000376138066 446350827 /nfs/dbraw/zinc/35/08/27/446350827.db2.gz ZQFLCWADMZIBKZ-MRXNPFEDSA-N 2 1 345.491 2.380 20 0 EDADMP C[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417502796 446355998 /nfs/dbraw/zinc/35/59/98/446355998.db2.gz KVBCSYYELRAMFM-WMZOPIPTSA-N 2 1 330.476 1.554 20 0 EDADMP O=C(CN1CC[C@H](n2cccn2)C1)N1CCN(Cc2ccco2)CC1 ZINC000365829857 446360901 /nfs/dbraw/zinc/36/09/01/446360901.db2.gz DGWHJWMKCMEJNK-INIZCTEOSA-N 2 1 343.431 1.067 20 0 EDADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417544437 446363636 /nfs/dbraw/zinc/36/36/36/446363636.db2.gz MTXXWVXDYZBBSW-AEFFLSMTSA-N 2 1 347.507 1.402 20 0 EDADMP CC[C@@H](NC(=O)NCCCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417895489 446378573 /nfs/dbraw/zinc/37/85/73/446378573.db2.gz OLMXQJSGXSFFMR-QZTJIDSGSA-N 2 1 348.491 1.704 20 0 EDADMP CC[C@@H](NC(=O)NCCCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417895489 446378574 /nfs/dbraw/zinc/37/85/74/446378574.db2.gz OLMXQJSGXSFFMR-QZTJIDSGSA-N 2 1 348.491 1.704 20 0 EDADMP COC[C@@]1(CNC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CCC[NH2+]1 ZINC000417918879 446385648 /nfs/dbraw/zinc/38/56/48/446385648.db2.gz PIQWXPADWGCHMT-WMZOPIPTSA-N 2 1 340.512 1.565 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000370770627 446428133 /nfs/dbraw/zinc/42/81/33/446428133.db2.gz DRIRCCFCGUJNJE-SEPJDSBXSA-N 2 1 349.519 1.913 20 0 EDADMP [NH3+][C@@H](CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000418075917 446432896 /nfs/dbraw/zinc/43/28/96/446432896.db2.gz HOVNPQDAYMRGQM-SJORKVTESA-N 2 1 348.516 1.641 20 0 EDADMP [NH3+][C@@H](CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000418075917 446432899 /nfs/dbraw/zinc/43/28/99/446432899.db2.gz HOVNPQDAYMRGQM-SJORKVTESA-N 2 1 348.516 1.641 20 0 EDADMP COc1cc2[nH+]c(N3CC[C@H]4C[NH2+]C[C@H]4CC3)nc(N)c2cc1OC ZINC000420256160 446434475 /nfs/dbraw/zinc/43/44/75/446434475.db2.gz GYRBEPLDQLWORC-TXEJJXNPSA-N 2 1 343.431 1.665 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](C)C[NH3+])[C@@H]1c1ccccc1 ZINC000418183591 446451137 /nfs/dbraw/zinc/45/11/37/446451137.db2.gz OLZFALPWMMUYNR-XIRDDKMYSA-N 2 1 334.464 1.342 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](C)C[NH3+])[C@@H]1c1ccccc1 ZINC000418183591 446451141 /nfs/dbraw/zinc/45/11/41/446451141.db2.gz OLZFALPWMMUYNR-XIRDDKMYSA-N 2 1 334.464 1.342 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)N[C@@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000417985270 446408147 /nfs/dbraw/zinc/40/81/47/446408147.db2.gz HAWHVVNFWDFQTK-AFAVFJNCSA-N 2 1 332.448 1.619 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000417989594 446409306 /nfs/dbraw/zinc/40/93/06/446409306.db2.gz TYONWTKGYRRYST-RDJZCZTQSA-N 2 1 334.464 1.185 20 0 EDADMP Cc1cc(N2CCC[NH+](C)CC2)nc([C@@H](C)N2CCC[N@@H+](C)CC2)n1 ZINC000411150643 446410605 /nfs/dbraw/zinc/41/06/05/446410605.db2.gz ATTDAHJCFCIARB-QGZVFWFLSA-N 2 1 346.523 1.625 20 0 EDADMP Cc1cc(N2CCC[N@H+](C)CC2)nc([C@@H](C)N2CCC[NH+](C)CC2)n1 ZINC000411150643 446410607 /nfs/dbraw/zinc/41/06/07/446410607.db2.gz ATTDAHJCFCIARB-QGZVFWFLSA-N 2 1 346.523 1.625 20 0 EDADMP Cc1cc(N2CCC[N@@H+](C)CC2)nc([C@@H](C)N2CCC[NH+](C)CC2)n1 ZINC000411150643 446410613 /nfs/dbraw/zinc/41/06/13/446410613.db2.gz ATTDAHJCFCIARB-QGZVFWFLSA-N 2 1 346.523 1.625 20 0 EDADMP COC(=O)[C@@H]1CC[NH+](CCC(C)CC[N@@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000411181004 446419807 /nfs/dbraw/zinc/41/98/07/446419807.db2.gz OFEALWKCUPFSRB-HZPDHXFCSA-N 2 1 340.464 1.393 20 0 EDADMP COCC[NH2+]CCNC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000418046004 446423847 /nfs/dbraw/zinc/42/38/47/446423847.db2.gz PSEQNGQZZUQNCB-LJQANCHMSA-N 2 1 348.491 1.576 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000370765925 446424077 /nfs/dbraw/zinc/42/40/77/446424077.db2.gz INFZJCAPORQWNP-JQHSSLGASA-N 2 1 332.492 1.465 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCCc3cccc4cccnc43)C[C@H]12 ZINC000420315663 446480910 /nfs/dbraw/zinc/48/09/10/446480910.db2.gz XCCXOHCJMQKLPZ-OKZBNKHCSA-N 2 1 338.455 1.563 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCCc3cccc4cccnc43)C[C@H]12 ZINC000420315663 446480919 /nfs/dbraw/zinc/48/09/19/446480919.db2.gz XCCXOHCJMQKLPZ-OKZBNKHCSA-N 2 1 338.455 1.563 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1)C(=O)OC ZINC000420304157 446468579 /nfs/dbraw/zinc/46/85/79/446468579.db2.gz DKWUQKULRMFHBH-DZKIICNBSA-N 2 1 327.469 1.154 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1)C(=O)OC ZINC000420304157 446468582 /nfs/dbraw/zinc/46/85/82/446468582.db2.gz DKWUQKULRMFHBH-DZKIICNBSA-N 2 1 327.469 1.154 20 0 EDADMP COC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000420310346 446473582 /nfs/dbraw/zinc/47/35/82/446473582.db2.gz PQOMYNZDZAXPKM-CWRNSKLLSA-N 2 1 331.416 1.471 20 0 EDADMP COC(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000420310346 446473587 /nfs/dbraw/zinc/47/35/87/446473587.db2.gz PQOMYNZDZAXPKM-CWRNSKLLSA-N 2 1 331.416 1.471 20 0 EDADMP Cc1noc(CCCC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000370840486 446473822 /nfs/dbraw/zinc/47/38/22/446473822.db2.gz VWVJJPGKKKZMNZ-MRXNPFEDSA-N 2 1 349.479 1.328 20 0 EDADMP Cc1noc(CCCC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000370840486 446473828 /nfs/dbraw/zinc/47/38/28/446473828.db2.gz VWVJJPGKKKZMNZ-MRXNPFEDSA-N 2 1 349.479 1.328 20 0 EDADMP CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000420314224 446478911 /nfs/dbraw/zinc/47/89/11/446478911.db2.gz QJYFTFFLUBTILR-MRXNPFEDSA-N 2 1 339.505 1.901 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418191098 446453651 /nfs/dbraw/zinc/45/36/51/446453651.db2.gz KCFFFHBMRUBHJF-GXTWGEPZSA-N 2 1 326.391 1.543 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000418191098 446453656 /nfs/dbraw/zinc/45/36/56/446453656.db2.gz KCFFFHBMRUBHJF-GXTWGEPZSA-N 2 1 326.391 1.543 20 0 EDADMP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420322255 446487071 /nfs/dbraw/zinc/48/70/71/446487071.db2.gz SHDJSZXFTVDAJU-UONOGXRCSA-N 2 1 325.478 1.717 20 0 EDADMP C[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)[N@H+]1CCCC[C@H]1C ZINC000423325994 446488925 /nfs/dbraw/zinc/48/89/25/446488925.db2.gz KINFLYGLNXPIAX-HLLBOEOZSA-N 2 1 333.480 1.800 20 0 EDADMP CC[C@@H]1CN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC[N@H+]1C[C@H](C)O ZINC000420325940 446493686 /nfs/dbraw/zinc/49/36/86/446493686.db2.gz WWJUOBGZSWSYRD-RYQLBKOJSA-N 2 1 335.492 1.515 20 0 EDADMP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000423339074 446494491 /nfs/dbraw/zinc/49/44/91/446494491.db2.gz BKNLVTRSSHAXRB-YOEHRIQHSA-N 2 1 344.459 1.401 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C[C@H]1Cc1ccccc1 ZINC000418342240 446507482 /nfs/dbraw/zinc/50/74/82/446507482.db2.gz PXFAZQQDCMSHEC-ZWKOTPCHSA-N 2 1 330.476 1.554 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C[C@H]1Cc1ccccc1 ZINC000418342240 446507490 /nfs/dbraw/zinc/50/74/90/446507490.db2.gz PXFAZQQDCMSHEC-ZWKOTPCHSA-N 2 1 330.476 1.554 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCCc3ccccc32)CC12CCOCC2 ZINC000420340019 446511692 /nfs/dbraw/zinc/51/16/92/446511692.db2.gz ZPSIWKUKCWYHLG-KRWDZBQOSA-N 2 1 343.471 1.653 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCCc3ccccc32)CC12CCOCC2 ZINC000420340019 446511701 /nfs/dbraw/zinc/51/17/01/446511701.db2.gz ZPSIWKUKCWYHLG-KRWDZBQOSA-N 2 1 343.471 1.653 20 0 EDADMP C[C@@H]([NH3+])c1ccc(C(=O)NCC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000423359119 446500330 /nfs/dbraw/zinc/50/03/30/446500330.db2.gz KHBIBNFKPXGDCH-OAHLLOKOSA-N 2 1 332.492 1.710 20 0 EDADMP COc1ccc(C[C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cn1 ZINC000423516321 446558119 /nfs/dbraw/zinc/55/81/19/446558119.db2.gz WNWJAPMIWJJYIU-ZLPCBKJTSA-N 2 1 332.492 1.827 20 0 EDADMP O=C(NCC1C[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418480959 446559526 /nfs/dbraw/zinc/55/95/26/446559526.db2.gz CCAWHOZSRPLGBA-ROUUACIJSA-N 2 1 328.460 1.369 20 0 EDADMP C[C@H](C[NH3+])CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418494799 446565145 /nfs/dbraw/zinc/56/51/45/446565145.db2.gz SVGLCKWXXQUUPO-NXHRZFHOSA-N 2 1 330.476 1.745 20 0 EDADMP C[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)[N@@H+](C)Cc1ccccc1 ZINC000423407627 446522340 /nfs/dbraw/zinc/52/23/40/446522340.db2.gz MUSXMHDCZXTVAL-OAHLLOKOSA-N 2 1 344.463 1.267 20 0 EDADMP Cc1cc(-c2noc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)ccc1F ZINC000420347996 446523166 /nfs/dbraw/zinc/52/31/66/446523166.db2.gz IYJGHKPFRKMCKD-OAHLLOKOSA-N 2 1 345.422 1.664 20 0 EDADMP Cc1cc(-c2noc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)ccc1F ZINC000420347996 446523173 /nfs/dbraw/zinc/52/31/73/446523173.db2.gz IYJGHKPFRKMCKD-OAHLLOKOSA-N 2 1 345.422 1.664 20 0 EDADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347479 446523608 /nfs/dbraw/zinc/52/36/08/446523608.db2.gz GWABLBOKYAWVQF-MAUKXSAKSA-N 2 1 348.466 1.325 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418387228 446524037 /nfs/dbraw/zinc/52/40/37/446524037.db2.gz QWFBANVAHXCUMZ-OKZBNKHCSA-N 2 1 328.460 1.512 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423419743 446526055 /nfs/dbraw/zinc/52/60/55/446526055.db2.gz JATDAHQIANVIAK-DLBZAZTESA-N 2 1 333.480 1.802 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@H](C)[NH3+] ZINC000423418859 446527192 /nfs/dbraw/zinc/52/71/92/446527192.db2.gz IGUJOBUOBVLJLF-RYRKJORJSA-N 2 1 347.507 1.328 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418398164 446528085 /nfs/dbraw/zinc/52/80/85/446528085.db2.gz KGNYVQYGBPHZOD-ZWKOTPCHSA-N 2 1 345.491 1.815 20 0 EDADMP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000411426934 446536500 /nfs/dbraw/zinc/53/65/00/446536500.db2.gz NRNFGFKEPILCCE-QGZVFWFLSA-N 2 1 332.492 1.607 20 0 EDADMP CC(C)c1nc([C@H]2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)no1 ZINC000420356617 446538240 /nfs/dbraw/zinc/53/82/40/446538240.db2.gz GPORXACYYKZKIX-AWEZNQCLSA-N 2 1 335.452 1.194 20 0 EDADMP COC(=O)c1ccc(N2CC[N@@H+](CC[C@H]3CC[NH2+]C3)[C@@H](C)C2)cc1 ZINC000420357979 446538678 /nfs/dbraw/zinc/53/86/78/446538678.db2.gz IJXPECDPUCXDPA-JKSUJKDBSA-N 2 1 331.460 1.983 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000420367662 446546897 /nfs/dbraw/zinc/54/68/97/446546897.db2.gz HIHFNKHRCBLZOV-IKGGRYGDSA-N 2 1 342.443 1.667 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000420367662 446546909 /nfs/dbraw/zinc/54/69/09/446546909.db2.gz HIHFNKHRCBLZOV-IKGGRYGDSA-N 2 1 342.443 1.667 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000420370580 446547755 /nfs/dbraw/zinc/54/77/55/446547755.db2.gz JPZKRHYOJMLUPI-JZXOWHBKSA-N 2 1 331.460 1.728 20 0 EDADMP CC[C@@H]1CN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC[N@H+]1CCOC ZINC000418456593 446550155 /nfs/dbraw/zinc/55/01/55/446550155.db2.gz FXRQGFSCCUWFRR-CRAIPNDOSA-N 2 1 348.491 1.959 20 0 EDADMP C[C@@H](C[C@H]1COCC[NH2+]1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423472244 446550302 /nfs/dbraw/zinc/55/03/02/446550302.db2.gz NBTHQZXEYWETGO-OYSPMZIOSA-N 2 1 335.467 1.875 20 0 EDADMP O=C(CC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1)N1CC[NH2+]CC1 ZINC000420373145 446550372 /nfs/dbraw/zinc/55/03/72/446550372.db2.gz MCCDRQWMIBHNPJ-CQSZACIVSA-N 2 1 337.851 1.615 20 0 EDADMP COCC1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC[NH2+]CC1 ZINC000375062877 446555761 /nfs/dbraw/zinc/55/57/61/446555761.db2.gz BRHHKCUQTWTTBU-KRWDZBQOSA-N 2 1 346.475 1.178 20 0 EDADMP COCC1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC[NH2+]CC1 ZINC000375062877 446555766 /nfs/dbraw/zinc/55/57/66/446555766.db2.gz BRHHKCUQTWTTBU-KRWDZBQOSA-N 2 1 346.475 1.178 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000418601117 446610192 /nfs/dbraw/zinc/61/01/92/446610192.db2.gz LKOJVHXIMVLAIG-SZVBFZGTSA-N 2 1 346.475 1.063 20 0 EDADMP Cc1ccc(CC[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420405982 446580386 /nfs/dbraw/zinc/58/03/86/446580386.db2.gz QFRBQHOJRBAGMD-RTBURBONSA-N 2 1 342.487 1.758 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000418548268 446589018 /nfs/dbraw/zinc/58/90/18/446589018.db2.gz ZEMTULRAJDOBFZ-BRWVUGGUSA-N 3 1 339.528 1.184 20 0 EDADMP Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccc1C[NH+](C)C ZINC000411543141 446594162 /nfs/dbraw/zinc/59/41/62/446594162.db2.gz KDLMMKNOTGABTC-OAHLLOKOSA-N 2 1 348.491 1.840 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)[C@H]2C1 ZINC000418686941 446648985 /nfs/dbraw/zinc/64/89/85/446648985.db2.gz QDVZYSNAKRMMMI-FJIDUMEYSA-N 2 1 328.460 1.478 20 0 EDADMP COCC1(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC[NH2+]CC1 ZINC000423720131 446659472 /nfs/dbraw/zinc/65/94/72/446659472.db2.gz AAINDXFRMZUQBS-BBWFWOEESA-N 2 1 337.508 1.866 20 0 EDADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000368145128 446667625 /nfs/dbraw/zinc/66/76/25/446667625.db2.gz YPLJWJVOJSOKTN-DLBZAZTESA-N 2 1 329.444 1.146 20 0 EDADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000368145128 446667631 /nfs/dbraw/zinc/66/76/31/446667631.db2.gz YPLJWJVOJSOKTN-DLBZAZTESA-N 2 1 329.444 1.146 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCCC2=CC[NH2+]CC2)C[C@H]1Cc1ccccc1 ZINC000418651058 446633510 /nfs/dbraw/zinc/63/35/10/446633510.db2.gz XSXIUBXDJVUKJS-LJQANCHMSA-N 2 1 342.487 1.865 20 0 EDADMP C[N@H+]1CCN(C(=O)NCCC2=CC[NH2+]CC2)C[C@H]1Cc1ccccc1 ZINC000418651058 446633512 /nfs/dbraw/zinc/63/35/12/446633512.db2.gz XSXIUBXDJVUKJS-LJQANCHMSA-N 2 1 342.487 1.865 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@]2(COC)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000423822734 446711656 /nfs/dbraw/zinc/71/16/56/446711656.db2.gz JXSYLHJHTCKVHZ-UYAOXDASSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000418814528 446720481 /nfs/dbraw/zinc/72/04/81/446720481.db2.gz JTFSARZNHNSTPO-BEFAXECRSA-N 2 1 346.475 1.011 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)NC(N)=O ZINC000368234233 446727474 /nfs/dbraw/zinc/72/74/74/446727474.db2.gz JVCWHEQOOMVGNS-RKTXRCNFSA-N 2 1 344.459 1.460 20 0 EDADMP COCC[C@@]1(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000371271665 446730754 /nfs/dbraw/zinc/73/07/54/446730754.db2.gz UEIQMEXIRCKNSB-APWZRJJASA-N 2 1 333.476 1.639 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)C[C@@H]2COCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000423890149 446746685 /nfs/dbraw/zinc/74/66/85/446746685.db2.gz ABAMGOOZZDBSFB-NZSAHSFTSA-N 2 1 345.487 1.782 20 0 EDADMP COCC[C@H]1COCCN1C/C=C/C[N@H+]1CCOC[C@@H]1CCOC ZINC000368283572 446758838 /nfs/dbraw/zinc/75/88/38/446758838.db2.gz XLNFNHLAMZKRFR-ZFRRBFPSSA-N 2 1 342.480 1.017 20 0 EDADMP C[NH+](C)[C@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000437947582 446779532 /nfs/dbraw/zinc/77/95/32/446779532.db2.gz OXAXOZWZYLRAOZ-IPMKNSEASA-N 2 1 345.487 1.829 20 0 EDADMP C[NH+](C)[C@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C[N@H+](C)Cc1ccccc1 ZINC000437947582 446779537 /nfs/dbraw/zinc/77/95/37/446779537.db2.gz OXAXOZWZYLRAOZ-IPMKNSEASA-N 2 1 345.487 1.829 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnn4ccccc34)C2)CC1 ZINC000371331296 446779989 /nfs/dbraw/zinc/77/99/89/446779989.db2.gz GMAJRNSMTSCWJZ-SFHVURJKSA-N 2 1 327.476 1.935 20 0 EDADMP C[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@@]1(C)C[NH3+] ZINC000423988505 446809590 /nfs/dbraw/zinc/80/95/90/446809590.db2.gz XZCZSMPOCRIEIC-YLJYHZDGSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)NCCCC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000454223473 446813116 /nfs/dbraw/zinc/81/31/16/446813116.db2.gz HGYQHXOXYKNZOR-HOTGVXAUSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368384604 446827463 /nfs/dbraw/zinc/82/74/63/446827463.db2.gz WUXWXVGTFYGQLA-DOTOQJQBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368384604 446827468 /nfs/dbraw/zinc/82/74/68/446827468.db2.gz WUXWXVGTFYGQLA-DOTOQJQBSA-N 2 1 339.528 1.137 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438886954 446802750 /nfs/dbraw/zinc/80/27/50/446802750.db2.gz YPAHNOGGYRPJNK-WBVHZDCISA-N 2 1 344.459 1.265 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N1CCO[C@@H]3CCCC[C@@H]31)CC[NH2+]CC2 ZINC000424284601 446865331 /nfs/dbraw/zinc/86/53/31/446865331.db2.gz DHEAFWZWNVTYJS-IXDOHACOSA-N 2 1 335.492 1.620 20 0 EDADMP CN1CC[NH+](C2(C(=O)NCC3CC[NH+](C4CC4)CC3)CCCC2)CC1 ZINC000368475205 446885352 /nfs/dbraw/zinc/88/53/52/446885352.db2.gz RMOYBZQYWLFBCP-UHFFFAOYSA-N 2 1 348.535 1.537 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C12CCC2 ZINC000371513592 446906008 /nfs/dbraw/zinc/90/60/08/446906008.db2.gz GKEGVIJVPBAPRS-FGTMMUONSA-N 2 1 337.508 1.330 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1Cc1cccc(CN2CCOCC2)c1 ZINC000420959609 446930706 /nfs/dbraw/zinc/93/07/06/446930706.db2.gz FPQSMYYWCZWIPG-KRWDZBQOSA-N 2 1 333.476 1.017 20 0 EDADMP OC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCOC1 ZINC000420970605 446941455 /nfs/dbraw/zinc/94/14/55/446941455.db2.gz IUPHUJKUIFDJBT-OALUTQOASA-N 2 1 334.460 1.396 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000442763290 446955392 /nfs/dbraw/zinc/95/53/92/446955392.db2.gz IODTVMTZVBLSCA-JKIFEVAISA-N 2 1 335.423 1.395 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000442763290 446955402 /nfs/dbraw/zinc/95/54/02/446955402.db2.gz IODTVMTZVBLSCA-JKIFEVAISA-N 2 1 335.423 1.395 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000424998527 446986154 /nfs/dbraw/zinc/98/61/54/446986154.db2.gz IZSHZCWLDWCNPJ-OAGGEKHMSA-N 2 1 325.497 1.817 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)on1 ZINC000372097733 446999222 /nfs/dbraw/zinc/99/92/22/446999222.db2.gz CFDSFNBPBLAKPM-CABCVRRESA-N 2 1 334.464 1.923 20 0 EDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000443062342 447002403 /nfs/dbraw/zinc/00/24/03/447002403.db2.gz ULWDUGJNUPAQML-ZWKOTPCHSA-N 2 1 344.503 1.690 20 0 EDADMP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000419191355 447002857 /nfs/dbraw/zinc/00/28/57/447002857.db2.gz OAGCPVQJRFYSRZ-HUUCEWRRSA-N 2 1 346.475 1.141 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1COC(=O)N1CCOCC1 ZINC000375801912 447063238 /nfs/dbraw/zinc/06/32/38/447063238.db2.gz OVFBPJONNQCJBH-SJORKVTESA-N 2 1 339.480 1.794 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1COC(=O)N1CCOCC1 ZINC000375801912 447063246 /nfs/dbraw/zinc/06/32/46/447063246.db2.gz OVFBPJONNQCJBH-SJORKVTESA-N 2 1 339.480 1.794 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1COC(=O)N1CCOCC1 ZINC000375801912 447063252 /nfs/dbraw/zinc/06/32/52/447063252.db2.gz OVFBPJONNQCJBH-SJORKVTESA-N 2 1 339.480 1.794 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1COC(=O)N1CCOCC1 ZINC000375801912 447063259 /nfs/dbraw/zinc/06/32/59/447063259.db2.gz OVFBPJONNQCJBH-SJORKVTESA-N 2 1 339.480 1.794 20 0 EDADMP CC[C@@H]1c2cccn2CCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377358300 447087831 /nfs/dbraw/zinc/08/78/31/447087831.db2.gz MVVDBJWXIDBFMI-QGZVFWFLSA-N 2 1 340.475 1.997 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419385745 447144295 /nfs/dbraw/zinc/14/42/95/447144295.db2.gz OHVFMUQREQEIFA-INIZCTEOSA-N 2 1 349.479 1.112 20 0 EDADMP Cc1ncccc1OC[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000419394466 447149707 /nfs/dbraw/zinc/14/97/07/447149707.db2.gz SHSANDCSUVXUCU-KRWDZBQOSA-N 2 1 346.475 1.397 20 0 EDADMP Cc1ncccc1OC[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000419394466 447149715 /nfs/dbraw/zinc/14/97/15/447149715.db2.gz SHSANDCSUVXUCU-KRWDZBQOSA-N 2 1 346.475 1.397 20 0 EDADMP C[C@H](CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[NH+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000425527787 447213457 /nfs/dbraw/zinc/21/34/57/447213457.db2.gz NYOQYKTVFLDPGS-CNTDEZBTSA-N 2 1 336.520 1.951 20 0 EDADMP C[C@H](CC[NH+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000425527787 447213459 /nfs/dbraw/zinc/21/34/59/447213459.db2.gz NYOQYKTVFLDPGS-CNTDEZBTSA-N 2 1 336.520 1.951 20 0 EDADMP C[C@H](CC[NH+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000425527787 447213465 /nfs/dbraw/zinc/21/34/65/447213465.db2.gz NYOQYKTVFLDPGS-CNTDEZBTSA-N 2 1 336.520 1.951 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000413451806 447190241 /nfs/dbraw/zinc/19/02/41/447190241.db2.gz MUVDCVZKGUXMGJ-NJAFHUGGSA-N 2 1 330.476 1.900 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000413451806 447190244 /nfs/dbraw/zinc/19/02/44/447190244.db2.gz MUVDCVZKGUXMGJ-NJAFHUGGSA-N 2 1 330.476 1.900 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000413451806 447190249 /nfs/dbraw/zinc/19/02/49/447190249.db2.gz MUVDCVZKGUXMGJ-NJAFHUGGSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C)C[N@H+]1CCO ZINC000419476362 447208292 /nfs/dbraw/zinc/20/82/92/447208292.db2.gz JKMCPTWKEPGXKY-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000419430891 447170917 /nfs/dbraw/zinc/17/09/17/447170917.db2.gz WNBHEBLNXKCYAS-YYIAUSFCSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000419430891 447170921 /nfs/dbraw/zinc/17/09/21/447170921.db2.gz WNBHEBLNXKCYAS-YYIAUSFCSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000419430891 447170923 /nfs/dbraw/zinc/17/09/23/447170923.db2.gz WNBHEBLNXKCYAS-YYIAUSFCSA-N 2 1 340.512 1.346 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)[nH+]c1 ZINC000425652227 447254325 /nfs/dbraw/zinc/25/43/25/447254325.db2.gz MLMBGQBOFWWEPP-JKSUJKDBSA-N 2 1 331.464 1.928 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)[nH+]c1 ZINC000425652227 447254331 /nfs/dbraw/zinc/25/43/31/447254331.db2.gz MLMBGQBOFWWEPP-JKSUJKDBSA-N 2 1 331.464 1.928 20 0 EDADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)C1CCOCC1 ZINC000372682246 447222568 /nfs/dbraw/zinc/22/25/68/447222568.db2.gz MGCFEEOAWZYTNN-OWYHZJEWSA-N 2 1 340.508 1.907 20 0 EDADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)C1CCOCC1 ZINC000372682246 447222574 /nfs/dbraw/zinc/22/25/74/447222574.db2.gz MGCFEEOAWZYTNN-OWYHZJEWSA-N 2 1 340.508 1.907 20 0 EDADMP Cc1cccc(N2CCC([NH2+]Cc3cnc(N(C)C)n3C)CC2)[nH+]1 ZINC000414395722 447294868 /nfs/dbraw/zinc/29/48/68/447294868.db2.gz QYCBJCGBMREUQK-UHFFFAOYSA-N 2 1 328.464 1.948 20 0 EDADMP CC1CC[NH+](CCCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000369028372 447274289 /nfs/dbraw/zinc/27/42/89/447274289.db2.gz QATMHYODUKGBQP-DLBZAZTESA-N 2 1 338.496 1.271 20 0 EDADMP Cc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000414258638 447282522 /nfs/dbraw/zinc/28/25/22/447282522.db2.gz LWZSDNJOSSXJDR-UHFFFAOYSA-N 2 1 325.460 1.692 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458813566 447481757 /nfs/dbraw/zinc/48/17/57/447481757.db2.gz MNRBNFXMZXMMAA-JKSUJKDBSA-N 2 1 328.501 1.253 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458813566 447481761 /nfs/dbraw/zinc/48/17/61/447481761.db2.gz MNRBNFXMZXMMAA-JKSUJKDBSA-N 2 1 328.501 1.253 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458813566 447481769 /nfs/dbraw/zinc/48/17/69/447481769.db2.gz MNRBNFXMZXMMAA-JKSUJKDBSA-N 2 1 328.501 1.253 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OCC)C2)[C@H](C)C1 ZINC000495382545 447500065 /nfs/dbraw/zinc/50/00/65/447500065.db2.gz QIJQEKYIAVMNNI-IKGGRYGDSA-N 2 1 341.496 1.944 20 0 EDADMP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390847578 447502873 /nfs/dbraw/zinc/50/28/73/447502873.db2.gz BYWFXUOHJVZWBV-QZTJIDSGSA-N 2 1 331.460 1.536 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C/C=C/c3ccncc3)CC2)C1 ZINC000494960118 447469316 /nfs/dbraw/zinc/46/93/16/447469316.db2.gz RHTIOOPCANNXPV-WUUFJKRQSA-N 2 1 344.503 1.822 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000427292983 447576083 /nfs/dbraw/zinc/57/60/83/447576083.db2.gz WMNBXRAUELOXJP-HKUYNNGSSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000427292983 447576090 /nfs/dbraw/zinc/57/60/90/447576090.db2.gz WMNBXRAUELOXJP-HKUYNNGSSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000427292983 447576095 /nfs/dbraw/zinc/57/60/95/447576095.db2.gz WMNBXRAUELOXJP-HKUYNNGSSA-N 2 1 344.503 1.481 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000459132487 447587484 /nfs/dbraw/zinc/58/74/84/447587484.db2.gz BWCYSLMPDQNXFS-UHFFFAOYSA-N 2 1 340.512 1.395 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000419994342 447534505 /nfs/dbraw/zinc/53/45/05/447534505.db2.gz JCTVOWVBVMFPIJ-MRXNPFEDSA-N 2 1 340.512 1.056 20 0 EDADMP COC1(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]CC1 ZINC000396323095 447542203 /nfs/dbraw/zinc/54/22/03/447542203.db2.gz AZUKBBLGAHJPDD-INIZCTEOSA-N 2 1 331.460 1.488 20 0 EDADMP COC1(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]CC1 ZINC000396323095 447542213 /nfs/dbraw/zinc/54/22/13/447542213.db2.gz AZUKBBLGAHJPDD-INIZCTEOSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H](CNC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000459049969 447553168 /nfs/dbraw/zinc/55/31/68/447553168.db2.gz ZVHNHXOWBHLIOG-QFBILLFUSA-N 2 1 348.491 1.215 20 0 EDADMP CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000420027749 447553534 /nfs/dbraw/zinc/55/35/34/447553534.db2.gz LEURMDZVIZAPNI-UXLLHSPISA-N 2 1 346.475 1.134 20 0 EDADMP COC(=O)[C@H]([N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)C1(OC)CCC1 ZINC000459338262 447638360 /nfs/dbraw/zinc/63/83/60/447638360.db2.gz RPOQNIVNIGTETK-ZBFHGGJFSA-N 2 1 342.480 1.122 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420126670 447619410 /nfs/dbraw/zinc/61/94/10/447619410.db2.gz NZNJXWNMBINFNX-WMLDXEAASA-N 2 1 346.475 1.265 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416890323 447702701 /nfs/dbraw/zinc/70/27/01/447702701.db2.gz WNXFJQWDMHZELZ-QGZVFWFLSA-N 2 1 334.464 1.301 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416911464 447706825 /nfs/dbraw/zinc/70/68/25/447706825.db2.gz BKTMZGCZOGVNBF-QLFBSQMISA-N 2 1 328.501 1.691 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416911464 447706826 /nfs/dbraw/zinc/70/68/26/447706826.db2.gz BKTMZGCZOGVNBF-QLFBSQMISA-N 2 1 328.501 1.691 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CCC(C[NH3+])CC2)n1 ZINC000420194134 447664974 /nfs/dbraw/zinc/66/49/74/447664974.db2.gz ZUEWEAVDOACAIL-RDJZCZTQSA-N 2 1 333.480 2.267 20 0 EDADMP COc1cc2[nH+]c(N(C)CC[C@H]([NH3+])C(C)C)nc(N)c2cc1OC ZINC000420205753 447670485 /nfs/dbraw/zinc/67/04/85/447670485.db2.gz OAOMOYQGRRZAJF-LBPRGKRZSA-N 2 1 333.436 2.039 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422626201 447675968 /nfs/dbraw/zinc/67/59/68/447675968.db2.gz DJQFSZBBAUZMJW-IKGGRYGDSA-N 2 1 333.476 1.795 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422626201 447675977 /nfs/dbraw/zinc/67/59/77/447675977.db2.gz DJQFSZBBAUZMJW-IKGGRYGDSA-N 2 1 333.476 1.795 20 0 EDADMP CCOC(=O)c1c[nH+]c2cc3c(cc2c1NC[C@H]1CC[NH2+]C1)OCO3 ZINC000420229063 447679407 /nfs/dbraw/zinc/67/94/07/447679407.db2.gz MYEZIHBMVIYYSZ-NSHDSACASA-N 2 1 343.383 1.584 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CCNS(=O)(=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000422636609 447682783 /nfs/dbraw/zinc/68/27/83/447682783.db2.gz NFJAWQONBVJEDF-QLFBSQMISA-N 2 1 325.478 1.270 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CCNS(=O)(=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000422636609 447682787 /nfs/dbraw/zinc/68/27/87/447682787.db2.gz NFJAWQONBVJEDF-QLFBSQMISA-N 2 1 325.478 1.270 20 0 EDADMP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1c[nH+]ccc1N ZINC000422833354 447763752 /nfs/dbraw/zinc/76/37/52/447763752.db2.gz GNRYUNKWUHJFGE-CQSZACIVSA-N 3 1 347.507 1.771 20 0 EDADMP CCCN(C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000416947256 447721105 /nfs/dbraw/zinc/72/11/05/447721105.db2.gz PEHAWWBOMOBXBE-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP Cc1ccc(NCCCNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]c1 ZINC000417072266 447733104 /nfs/dbraw/zinc/73/31/04/447733104.db2.gz XDXNSIDNVFZGRT-QGZVFWFLSA-N 2 1 345.491 2.366 20 0 EDADMP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000458166939 447733491 /nfs/dbraw/zinc/73/34/91/447733491.db2.gz QTMWTHAQRRZOHK-KRWDZBQOSA-N 2 1 340.512 1.397 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000417266386 447739377 /nfs/dbraw/zinc/73/93/77/447739377.db2.gz DRGAKJFRJRFPQK-HOTGVXAUSA-N 2 1 348.491 1.562 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000417266386 447739383 /nfs/dbraw/zinc/73/93/83/447739383.db2.gz DRGAKJFRJRFPQK-HOTGVXAUSA-N 2 1 348.491 1.562 20 0 EDADMP CN(C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C(=O)OC(C)(C)C ZINC000496218131 447744104 /nfs/dbraw/zinc/74/41/04/447744104.db2.gz MGBNTZUAWSPVCU-YJBOKZPZSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C(=O)OC(C)(C)C ZINC000496218131 447744106 /nfs/dbraw/zinc/74/41/06/447744106.db2.gz MGBNTZUAWSPVCU-YJBOKZPZSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C(=O)OC(C)(C)C ZINC000496218131 447744108 /nfs/dbraw/zinc/74/41/08/447744108.db2.gz MGBNTZUAWSPVCU-YJBOKZPZSA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C(=O)OC(C)(C)C ZINC000496218131 447744110 /nfs/dbraw/zinc/74/41/10/447744110.db2.gz MGBNTZUAWSPVCU-YJBOKZPZSA-N 2 1 341.496 1.632 20 0 EDADMP Cc1cc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)ccc1OCC[NH+](C)C ZINC000458225413 447749843 /nfs/dbraw/zinc/74/98/43/447749843.db2.gz YLFFUGLITAAWLG-QGZVFWFLSA-N 2 1 346.475 1.264 20 0 EDADMP O=C(C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000459714220 447750299 /nfs/dbraw/zinc/75/02/99/447750299.db2.gz KYCYUDYBMITILM-IAGOWNOFSA-N 2 1 333.476 1.230 20 0 EDADMP CC[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422840101 447765784 /nfs/dbraw/zinc/76/57/84/447765784.db2.gz AZHOIMGZJWBION-MOPGFXCFSA-N 2 1 344.503 1.846 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000458292806 447762625 /nfs/dbraw/zinc/76/26/25/447762625.db2.gz NPMLLOZTJMEJDS-INIZCTEOSA-N 2 1 328.501 1.207 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000458292806 447762627 /nfs/dbraw/zinc/76/26/27/447762627.db2.gz NPMLLOZTJMEJDS-INIZCTEOSA-N 2 1 328.501 1.207 20 0 EDADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC000471856566 447815521 /nfs/dbraw/zinc/81/55/21/447815521.db2.gz LRKDTTPAUGQLAZ-SJORKVTESA-N 2 1 344.459 1.210 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430556151 447777714 /nfs/dbraw/zinc/77/77/14/447777714.db2.gz UFAKPTUNGGXTBM-RDJZCZTQSA-N 2 1 333.476 1.899 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430556151 447777715 /nfs/dbraw/zinc/77/77/15/447777715.db2.gz UFAKPTUNGGXTBM-RDJZCZTQSA-N 2 1 333.476 1.899 20 0 EDADMP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2c[nH+]ccc2N)ncn1 ZINC000422963046 447782416 /nfs/dbraw/zinc/78/24/16/447782416.db2.gz FGNSYMPKVLMVOR-CHWSQXEVSA-N 2 1 327.436 1.645 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000462629206 447800260 /nfs/dbraw/zinc/80/02/60/447800260.db2.gz UKUXZCKOMFAEKE-PMPSAXMXSA-N 2 1 328.501 1.203 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000462629206 447800262 /nfs/dbraw/zinc/80/02/62/447800262.db2.gz UKUXZCKOMFAEKE-PMPSAXMXSA-N 2 1 328.501 1.203 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000462629206 447800265 /nfs/dbraw/zinc/80/02/65/447800265.db2.gz UKUXZCKOMFAEKE-PMPSAXMXSA-N 2 1 328.501 1.203 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000471667140 447809244 /nfs/dbraw/zinc/80/92/44/447809244.db2.gz YUBXNECUOGYUPK-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1cccnc1 ZINC000523484313 447889427 /nfs/dbraw/zinc/88/94/27/447889427.db2.gz AUBTWUVVOFORKA-GOSISDBHSA-N 2 1 332.492 1.889 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)COc1ccc2ccccc2c1 ZINC000570161991 447956055 /nfs/dbraw/zinc/95/60/55/447956055.db2.gz CFFNIUUBLFFVRN-RBUKOAKNSA-N 2 1 344.455 1.626 20 0 EDADMP C[C@@H]1CC[N@H+](CCNC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000530581068 447920426 /nfs/dbraw/zinc/92/04/26/447920426.db2.gz KVQZTTPJKTYQEW-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000530581068 447920432 /nfs/dbraw/zinc/92/04/32/447920432.db2.gz KVQZTTPJKTYQEW-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000530581068 447920438 /nfs/dbraw/zinc/92/04/38/447920438.db2.gz KVQZTTPJKTYQEW-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000530581068 447920443 /nfs/dbraw/zinc/92/04/43/447920443.db2.gz KVQZTTPJKTYQEW-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CC[NH2+]CC1 ZINC000569947817 447926561 /nfs/dbraw/zinc/92/65/61/447926561.db2.gz INSXIICQQSHYGI-KRWDZBQOSA-N 2 1 330.476 1.602 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CNC1(c2ccc(F)cc2F)CCC1 ZINC000570289821 447979409 /nfs/dbraw/zinc/97/94/09/447979409.db2.gz RPIBSLMXGSMPJW-CQSZACIVSA-N 2 1 328.403 1.873 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000497244476 447999968 /nfs/dbraw/zinc/99/99/68/447999968.db2.gz PJSMXSVOUZDTDE-GUYCJALGSA-N 2 1 340.468 1.693 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000576227942 448005930 /nfs/dbraw/zinc/00/59/30/448005930.db2.gz MOCICFXMWPYCDP-LJQANCHMSA-N 2 1 344.503 1.323 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccnn1C ZINC000491433049 448027435 /nfs/dbraw/zinc/02/74/35/448027435.db2.gz CIIVBFKVMPSDKO-JJEJIETFSA-N 2 1 333.480 1.308 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000525804202 448027727 /nfs/dbraw/zinc/02/77/27/448027727.db2.gz MDVFYFAXNQVATK-WMZOPIPTSA-N 2 1 330.476 1.752 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000525804202 448027729 /nfs/dbraw/zinc/02/77/29/448027729.db2.gz MDVFYFAXNQVATK-WMZOPIPTSA-N 2 1 330.476 1.752 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000525804202 448027734 /nfs/dbraw/zinc/02/77/34/448027734.db2.gz MDVFYFAXNQVATK-WMZOPIPTSA-N 2 1 330.476 1.752 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000525804199 448028878 /nfs/dbraw/zinc/02/88/78/448028878.db2.gz MDVFYFAXNQVATK-AEFFLSMTSA-N 2 1 330.476 1.752 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000525804199 448028884 /nfs/dbraw/zinc/02/88/84/448028884.db2.gz MDVFYFAXNQVATK-AEFFLSMTSA-N 2 1 330.476 1.752 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000525804199 448028889 /nfs/dbraw/zinc/02/88/89/448028889.db2.gz MDVFYFAXNQVATK-AEFFLSMTSA-N 2 1 330.476 1.752 20 0 EDADMP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000576410324 448049278 /nfs/dbraw/zinc/04/92/78/448049278.db2.gz CPOOXABNWIHJNL-KRWDZBQOSA-N 2 1 331.460 1.666 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531292563 448054427 /nfs/dbraw/zinc/05/44/27/448054427.db2.gz UFPTYBXXAOLABG-LPHOPBHVSA-N 2 1 333.476 1.470 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531292563 448054432 /nfs/dbraw/zinc/05/44/32/448054432.db2.gz UFPTYBXXAOLABG-LPHOPBHVSA-N 2 1 333.476 1.470 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496940956 448055922 /nfs/dbraw/zinc/05/59/22/448055922.db2.gz FMNJXEASNATYHN-GDBMZVCRSA-N 2 1 341.496 1.821 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496940956 448055927 /nfs/dbraw/zinc/05/59/27/448055927.db2.gz FMNJXEASNATYHN-GDBMZVCRSA-N 2 1 341.496 1.821 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCOC2(C[NH2+]C2)C1 ZINC000576569703 448086478 /nfs/dbraw/zinc/08/64/78/448086478.db2.gz XXUSTHVDENNDQZ-KRWDZBQOSA-N 2 1 344.459 1.035 20 0 EDADMP CCc1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)C2)ncn1 ZINC000576631071 448099825 /nfs/dbraw/zinc/09/98/25/448099825.db2.gz YITBCCQSWKPVTO-NVXWUHKLSA-N 2 1 333.480 1.053 20 0 EDADMP CCc1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)C2)ncn1 ZINC000576631071 448099829 /nfs/dbraw/zinc/09/98/29/448099829.db2.gz YITBCCQSWKPVTO-NVXWUHKLSA-N 2 1 333.480 1.053 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497100743 448199213 /nfs/dbraw/zinc/19/92/13/448199213.db2.gz RSLUAILNSIVNSS-MAUKXSAKSA-N 2 1 341.496 1.632 20 0 EDADMP CCN(C)C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497100743 448199219 /nfs/dbraw/zinc/19/92/19/448199219.db2.gz RSLUAILNSIVNSS-MAUKXSAKSA-N 2 1 341.496 1.632 20 0 EDADMP CCN(C)C[C@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497100743 448199224 /nfs/dbraw/zinc/19/92/24/448199224.db2.gz RSLUAILNSIVNSS-MAUKXSAKSA-N 2 1 341.496 1.632 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532191505 448213763 /nfs/dbraw/zinc/21/37/63/448213763.db2.gz ILWRGHQRSHJOON-IAGOWNOFSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187499 448214459 /nfs/dbraw/zinc/21/44/59/448214459.db2.gz GKHIJXVEQMOZPO-HUUCEWRRSA-N 2 1 338.521 1.493 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000582555900 448274513 /nfs/dbraw/zinc/27/45/13/448274513.db2.gz RUIIEMSVJCSSDZ-LJQANCHMSA-N 2 1 347.503 1.877 20 0 EDADMP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000577520653 448320944 /nfs/dbraw/zinc/32/09/44/448320944.db2.gz IUIGIUZVYRDZES-BBWFWOEESA-N 2 1 343.537 1.653 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000515497294 448322801 /nfs/dbraw/zinc/32/28/01/448322801.db2.gz WEAJYZLZJLWFRO-QZTJIDSGSA-N 2 1 336.476 1.419 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000515497294 448322805 /nfs/dbraw/zinc/32/28/05/448322805.db2.gz WEAJYZLZJLWFRO-QZTJIDSGSA-N 2 1 336.476 1.419 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000577392036 448286069 /nfs/dbraw/zinc/28/60/69/448286069.db2.gz IBXXIUSTMOJFLB-WMZOPIPTSA-N 2 1 346.475 1.365 20 0 EDADMP C[C@H](NC(=O)N(C)C1CC([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572134899 448300097 /nfs/dbraw/zinc/30/00/97/448300097.db2.gz HFTZJCLAIJWSNK-KUQKPQIMSA-N 2 1 346.475 1.407 20 0 EDADMP C[C@H](NC(=O)N(C)C1CC([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572134899 448300100 /nfs/dbraw/zinc/30/01/00/448300100.db2.gz HFTZJCLAIJWSNK-KUQKPQIMSA-N 2 1 346.475 1.407 20 0 EDADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC000577603429 448338367 /nfs/dbraw/zinc/33/83/67/448338367.db2.gz CLTULZXYAHRZSW-MOPGFXCFSA-N 2 1 348.487 1.655 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2)N1CCSCC1 ZINC000515659547 448340377 /nfs/dbraw/zinc/34/03/77/448340377.db2.gz NVPUZQZFMMURSK-SFHVURJKSA-N 2 1 345.512 1.872 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000582791490 448341940 /nfs/dbraw/zinc/34/19/40/448341940.db2.gz YZYIRCOSWVFYTG-MRXNPFEDSA-N 2 1 326.485 1.271 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)C3(C)C[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000582899205 448371825 /nfs/dbraw/zinc/37/18/25/448371825.db2.gz GMZLRYVAIHSNGB-IAGOWNOFSA-N 2 1 329.444 1.699 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)c1ccccc1 ZINC000591459412 448372159 /nfs/dbraw/zinc/37/21/59/448372159.db2.gz GYNRRVNMWWYNRV-QZTJIDSGSA-N 2 1 333.476 1.764 20 0 EDADMP COCC[NH+](C)CC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000591459412 448372161 /nfs/dbraw/zinc/37/21/61/448372161.db2.gz GYNRRVNMWWYNRV-QZTJIDSGSA-N 2 1 333.476 1.764 20 0 EDADMP COCC[NH+](C)CC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000591459412 448372163 /nfs/dbraw/zinc/37/21/63/448372163.db2.gz GYNRRVNMWWYNRV-QZTJIDSGSA-N 2 1 333.476 1.764 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000527795553 448362271 /nfs/dbraw/zinc/36/22/71/448362271.db2.gz POYHZGFICLKIDI-KRWDZBQOSA-N 2 1 346.475 1.663 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000527795553 448362275 /nfs/dbraw/zinc/36/22/75/448362275.db2.gz POYHZGFICLKIDI-KRWDZBQOSA-N 2 1 346.475 1.663 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000516070445 448375805 /nfs/dbraw/zinc/37/58/05/448375805.db2.gz FBHKALKYTHIGAC-AHCXZYCDSA-N 2 1 330.476 1.796 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC3CC[NH2+]CC3)c2)CCO1 ZINC000577942127 448421743 /nfs/dbraw/zinc/42/17/43/448421743.db2.gz VGHOCRZNFAGFSB-OAHLLOKOSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC3CC[NH2+]CC3)c2)CCO1 ZINC000577942127 448421747 /nfs/dbraw/zinc/42/17/47/448421747.db2.gz VGHOCRZNFAGFSB-OAHLLOKOSA-N 2 1 346.475 1.459 20 0 EDADMP C[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000578010399 448438988 /nfs/dbraw/zinc/43/89/88/448438988.db2.gz ILJYYBCSIAMJDM-MPGHIAIKSA-N 2 1 331.460 1.248 20 0 EDADMP C[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000578010399 448438992 /nfs/dbraw/zinc/43/89/92/448438992.db2.gz ILJYYBCSIAMJDM-MPGHIAIKSA-N 2 1 331.460 1.248 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000578024235 448443624 /nfs/dbraw/zinc/44/36/24/448443624.db2.gz RHQDGNVETHUMRW-PKOBYXMFSA-N 2 1 344.503 1.261 20 0 EDADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000578122739 448465775 /nfs/dbraw/zinc/46/57/75/448465775.db2.gz JSZGETMOILDYBJ-HKUYNNGSSA-N 2 1 348.491 1.113 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000578204076 448485186 /nfs/dbraw/zinc/48/51/86/448485186.db2.gz HZPBENDWPFPWMV-SJORKVTESA-N 2 1 339.524 1.850 20 0 EDADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000578144517 448472306 /nfs/dbraw/zinc/47/23/06/448472306.db2.gz WCDMOTFNIMUSMG-SCDSUCTJSA-N 2 1 343.349 1.890 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCCC[NH2+]C(C)C)C[C@H]1CC ZINC000516916681 448495585 /nfs/dbraw/zinc/49/55/85/448495585.db2.gz IIINLFUACFCGCN-MRXNPFEDSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528367341 448500126 /nfs/dbraw/zinc/50/01/26/448500126.db2.gz QLXJEQKPPRZBHD-FGTMMUONSA-N 2 1 339.524 1.143 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528367341 448500129 /nfs/dbraw/zinc/50/01/29/448500129.db2.gz QLXJEQKPPRZBHD-FGTMMUONSA-N 2 1 339.524 1.143 20 0 EDADMP O=C1N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1CC[C@@H]1CC[NH2+]C1 ZINC000578349707 448525340 /nfs/dbraw/zinc/52/53/40/448525340.db2.gz NDAVPLPFORQABU-KXBFYZLASA-N 2 1 342.443 1.183 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(N(C)C)s3)C2)CC1 ZINC000536709518 448539407 /nfs/dbraw/zinc/53/94/07/448539407.db2.gz CUSQLVMBPLUGTF-HNNXBMFYSA-N 2 1 337.537 1.809 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC000573278508 448586694 /nfs/dbraw/zinc/58/66/94/448586694.db2.gz AZFQSRYLTIQGMQ-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC000573278508 448586700 /nfs/dbraw/zinc/58/67/00/448586700.db2.gz AZFQSRYLTIQGMQ-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000573278508 448586705 /nfs/dbraw/zinc/58/67/05/448586705.db2.gz AZFQSRYLTIQGMQ-CVEARBPZSA-N 2 1 326.485 1.128 20 0 EDADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000517556735 448591441 /nfs/dbraw/zinc/59/14/41/448591441.db2.gz SYBKBKTWMWRKOV-SFHVURJKSA-N 2 1 332.492 1.614 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](CCNC(=O)NC(C)C)CC2)CC1 ZINC000573320685 448598264 /nfs/dbraw/zinc/59/82/64/448598264.db2.gz FQUVAFCQGIMRRR-UHFFFAOYSA-N 2 1 339.528 1.186 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cn2cc[nH+]c12 ZINC000584708514 448602961 /nfs/dbraw/zinc/60/29/61/448602961.db2.gz AEIQCUTXWNKYQF-OKILXGFUSA-N 2 1 341.415 1.039 20 0 EDADMP CCN(C(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000573550215 448656011 /nfs/dbraw/zinc/65/60/11/448656011.db2.gz QQISOQXTHBQQMJ-KRWDZBQOSA-N 2 1 342.447 1.427 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000518526203 448688905 /nfs/dbraw/zinc/68/89/05/448688905.db2.gz NCPNAJJGESDFHM-JFIYKMOQSA-N 2 1 330.476 1.169 20 0 EDADMP Cc1ccnc([C@H]2CC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)c1 ZINC000579124301 448722495 /nfs/dbraw/zinc/72/24/95/448722495.db2.gz IPPXOHZJYJYTFJ-INIZCTEOSA-N 2 1 342.487 1.922 20 0 EDADMP Cc1ccnc([C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)c1 ZINC000579124301 448722499 /nfs/dbraw/zinc/72/24/99/448722499.db2.gz IPPXOHZJYJYTFJ-INIZCTEOSA-N 2 1 342.487 1.922 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+](C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000519008886 448732179 /nfs/dbraw/zinc/73/21/79/448732179.db2.gz OLPQOGNYGWQWCQ-NVXWUHKLSA-N 2 1 334.464 1.137 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+](C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000519008886 448732189 /nfs/dbraw/zinc/73/21/89/448732189.db2.gz OLPQOGNYGWQWCQ-NVXWUHKLSA-N 2 1 334.464 1.137 20 0 EDADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)COC(C)C)cc2)CC1 ZINC000567677486 448733425 /nfs/dbraw/zinc/73/34/25/448733425.db2.gz YPRPEFQEMITWKQ-HXUWFJFHSA-N 2 1 349.519 1.700 20 0 EDADMP COCCN(C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000579254418 448755245 /nfs/dbraw/zinc/75/52/45/448755245.db2.gz JBGPIGGVVVRCIS-SPOLIRPYSA-N 2 1 342.524 1.577 20 0 EDADMP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000579254418 448755247 /nfs/dbraw/zinc/75/52/47/448755247.db2.gz JBGPIGGVVVRCIS-SPOLIRPYSA-N 2 1 342.524 1.577 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000579254418 448755251 /nfs/dbraw/zinc/75/52/51/448755251.db2.gz JBGPIGGVVVRCIS-SPOLIRPYSA-N 2 1 342.524 1.577 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000579254418 448755255 /nfs/dbraw/zinc/75/52/55/448755255.db2.gz JBGPIGGVVVRCIS-SPOLIRPYSA-N 2 1 342.524 1.577 20 0 EDADMP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000579254418 448755258 /nfs/dbraw/zinc/75/52/58/448755258.db2.gz JBGPIGGVVVRCIS-SPOLIRPYSA-N 2 1 342.524 1.577 20 0 EDADMP Cn1ccnc1C[N@@H+](C[C@@H]1CCCC[C@@H]1O)[C@H]1CC12CC[NH2+]CC2 ZINC000579483668 448807320 /nfs/dbraw/zinc/80/73/20/448807320.db2.gz ZTXZGKXGMMDNQK-ULQDDVLXSA-N 2 1 332.492 1.915 20 0 EDADMP CC(C)[NH2+]CCC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000567913650 448782649 /nfs/dbraw/zinc/78/26/49/448782649.db2.gz MANYKYXQUWNGLV-UHFFFAOYSA-N 2 1 348.491 1.521 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000519584546 448790991 /nfs/dbraw/zinc/79/09/91/448790991.db2.gz MJAPKIKSOOKCDW-QUCCMNQESA-N 2 1 345.487 1.565 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000519584546 448790995 /nfs/dbraw/zinc/79/09/95/448790995.db2.gz MJAPKIKSOOKCDW-QUCCMNQESA-N 2 1 345.487 1.565 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000519584546 448791000 /nfs/dbraw/zinc/79/10/00/448791000.db2.gz MJAPKIKSOOKCDW-QUCCMNQESA-N 2 1 345.487 1.565 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000519705841 448824881 /nfs/dbraw/zinc/82/48/81/448824881.db2.gz MMWLRBGDIMXEMH-HRCADAONSA-N 2 1 339.480 1.251 20 0 EDADMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568214726 448839042 /nfs/dbraw/zinc/83/90/42/448839042.db2.gz BMRQKQWPIMKXCU-MOPGFXCFSA-N 2 1 347.503 1.718 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000579664892 448844195 /nfs/dbraw/zinc/84/41/95/448844195.db2.gz RKGUORSPEUWXCA-LPHOPBHVSA-N 2 1 333.476 1.468 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000579664892 448844198 /nfs/dbraw/zinc/84/41/98/448844198.db2.gz RKGUORSPEUWXCA-LPHOPBHVSA-N 2 1 333.476 1.468 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000579664892 448844202 /nfs/dbraw/zinc/84/42/02/448844202.db2.gz RKGUORSPEUWXCA-LPHOPBHVSA-N 2 1 333.476 1.468 20 0 EDADMP C[C@@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000529375123 448847742 /nfs/dbraw/zinc/84/77/42/448847742.db2.gz NCUSPMKYBSVTCK-AEFFLSMTSA-N 2 1 346.475 1.281 20 0 EDADMP CC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(C)(C)O ZINC000574415216 448870640 /nfs/dbraw/zinc/87/06/40/448870640.db2.gz VSITYEBZBFRVNQ-QGZVFWFLSA-N 2 1 339.524 1.848 20 0 EDADMP C[C@@H]1C[NH+](C[C@H](O)CN[C@H]2CC[N@H+](C3CCCC3)C2)C[C@@H](C)O1 ZINC000568621590 448896841 /nfs/dbraw/zinc/89/68/41/448896841.db2.gz WIIASXPFEKSZGX-XLMAVXFVSA-N 2 1 325.497 1.063 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000520548713 448909432 /nfs/dbraw/zinc/90/94/32/448909432.db2.gz JTZWWOIMGWJBBS-HOTGVXAUSA-N 2 1 326.485 1.317 20 0 EDADMP CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568738780 448913554 /nfs/dbraw/zinc/91/35/54/448913554.db2.gz TUBZFEVRTBEANP-ROUUACIJSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C[N@H+]1C1CC1 ZINC000568856246 448927306 /nfs/dbraw/zinc/92/73/06/448927306.db2.gz PDVAOSMKFUVGEE-ILXRZTDVSA-N 2 1 336.480 1.009 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCc3ccccc3C2)CC12CCOCC2 ZINC000574811362 448961987 /nfs/dbraw/zinc/96/19/87/448961987.db2.gz JTCDPVTVGCSHKP-SFHVURJKSA-N 2 1 343.471 1.259 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCc3ccccc3C2)CC12CCOCC2 ZINC000574811362 448961994 /nfs/dbraw/zinc/96/19/94/448961994.db2.gz JTCDPVTVGCSHKP-SFHVURJKSA-N 2 1 343.471 1.259 20 0 EDADMP C[C@H]1C[C@H](NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000521225627 448965436 /nfs/dbraw/zinc/96/54/36/448965436.db2.gz LWTZTGIBSOQBSN-FUHWJXTLSA-N 2 1 330.476 1.061 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000574854251 448969062 /nfs/dbraw/zinc/96/90/62/448969062.db2.gz DIAFJZRVIGNIPZ-KRWDZBQOSA-N 2 1 345.447 1.490 20 0 EDADMP Cc1cn2c(n1)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)CCC2 ZINC000574967559 449000182 /nfs/dbraw/zinc/00/01/82/449000182.db2.gz QIXXZWQHGFKTSA-CVEARBPZSA-N 2 1 349.479 1.215 20 0 EDADMP C[C@@H](C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000529913875 449004065 /nfs/dbraw/zinc/00/40/65/449004065.db2.gz OUSHKHDBCBTQKH-BBWFWOEESA-N 2 1 337.508 1.961 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3cncnc3)CC2)CC1 ZINC000529931585 449007868 /nfs/dbraw/zinc/00/78/68/449007868.db2.gz JHCKEDHSJJMISL-UHFFFAOYSA-N 2 1 345.491 1.332 20 0 EDADMP C[NH+]1CC[C@H](C(=O)Nc2cccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)c2)C1 ZINC000521927767 449029400 /nfs/dbraw/zinc/02/94/00/449029400.db2.gz XXIGQZFILCFIHW-CVEARBPZSA-N 2 1 344.459 1.145 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)NCc2cccc(NC(=O)[C@H]3CC[N@H+](C)C3)c2)C1 ZINC000521927767 449029404 /nfs/dbraw/zinc/02/94/04/449029404.db2.gz XXIGQZFILCFIHW-CVEARBPZSA-N 2 1 344.459 1.145 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)NCc2cccc(NC(=O)[C@H]3CC[N@@H+](C)C3)c2)C1 ZINC000521927767 449029409 /nfs/dbraw/zinc/02/94/09/449029409.db2.gz XXIGQZFILCFIHW-CVEARBPZSA-N 2 1 344.459 1.145 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592954794 449075924 /nfs/dbraw/zinc/07/59/24/449075924.db2.gz DGHVAEATOGRWRW-HUUCEWRRSA-N 2 1 333.480 1.714 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592956260 449076279 /nfs/dbraw/zinc/07/62/79/449076279.db2.gz FQOCXHFNAPGCEO-LSDHHAIUSA-N 2 1 347.507 1.960 20 0 EDADMP Cn1cncc1CC(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000575366243 449085946 /nfs/dbraw/zinc/08/59/46/449085946.db2.gz XHKUQLNMXLEJES-KRWDZBQOSA-N 2 1 344.484 1.696 20 0 EDADMP O=C(CC[N@@H+]1CCc2c(cccc2C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000530231197 449089910 /nfs/dbraw/zinc/08/99/10/449089910.db2.gz GBYJSTUCJGQIKI-UHFFFAOYSA-N 2 1 341.377 1.885 20 0 EDADMP CCSc1nccnc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597943054 449152490 /nfs/dbraw/zinc/15/24/90/449152490.db2.gz SYKQIGQMQJDOON-ZDUSSCGKSA-N 2 1 339.509 1.590 20 0 EDADMP CCSc1nccnc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597943054 449152493 /nfs/dbraw/zinc/15/24/93/449152493.db2.gz SYKQIGQMQJDOON-ZDUSSCGKSA-N 2 1 339.509 1.590 20 0 EDADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593735070 449169579 /nfs/dbraw/zinc/16/95/79/449169579.db2.gz WXYZACVREDZAFC-XHSDSOJGSA-N 2 1 339.480 1.380 20 0 EDADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593735070 449169583 /nfs/dbraw/zinc/16/95/83/449169583.db2.gz WXYZACVREDZAFC-XHSDSOJGSA-N 2 1 339.480 1.380 20 0 EDADMP COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000601964674 449248119 /nfs/dbraw/zinc/24/81/19/449248119.db2.gz KYFVQRSOPPVCSZ-SCTDSRPQSA-N 2 1 332.444 1.555 20 0 EDADMP COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000601964674 449248126 /nfs/dbraw/zinc/24/81/26/449248126.db2.gz KYFVQRSOPPVCSZ-SCTDSRPQSA-N 2 1 332.444 1.555 20 0 EDADMP C[NH+](C)CCCOc1ccc(CNC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000590859561 449322891 /nfs/dbraw/zinc/32/28/91/449322891.db2.gz KHJHIRADQRSPQC-KRWDZBQOSA-N 2 1 348.491 1.911 20 0 EDADMP CC(C)OC(=O)C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000594042877 449335602 /nfs/dbraw/zinc/33/56/02/449335602.db2.gz HUZRRJHGRYTOJQ-HNNXBMFYSA-N 2 1 327.469 1.106 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000602533977 449656026 /nfs/dbraw/zinc/65/60/26/449656026.db2.gz YJLBPVYDIBSKQC-INIZCTEOSA-N 2 1 344.459 1.355 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000602533977 449656032 /nfs/dbraw/zinc/65/60/32/449656032.db2.gz YJLBPVYDIBSKQC-INIZCTEOSA-N 2 1 344.459 1.355 20 0 EDADMP C[S@@](=O)C1(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH2+]CC1 ZINC000602521438 449646656 /nfs/dbraw/zinc/64/66/56/449646656.db2.gz OIWXIZNCXGUKHV-QKFKETGDSA-N 2 1 341.521 1.010 20 0 EDADMP CCOC(=O)CCc1cc(NC[C@@H]2CCCC[N@@H+](C)C2)nc(C)n1 ZINC000601201439 449747054 /nfs/dbraw/zinc/74/70/54/449747054.db2.gz ORDGPASQZCWGSJ-HNNXBMFYSA-N 2 1 334.464 2.425 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](CCO)CC1 ZINC000601248861 449772690 /nfs/dbraw/zinc/77/26/90/449772690.db2.gz WBTREKWNHWAMBT-MRXNPFEDSA-N 2 1 340.512 1.397 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000599310017 449881866 /nfs/dbraw/zinc/88/18/66/449881866.db2.gz CLGSYMBTJUGHJM-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC[NH+](C)C ZINC000608615491 449887316 /nfs/dbraw/zinc/88/73/16/449887316.db2.gz ZTXFNIMJKGCYJA-QGZVFWFLSA-N 2 1 347.507 1.448 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)Cc2ccccc2C1 ZINC000608648277 449895990 /nfs/dbraw/zinc/89/59/90/449895990.db2.gz QVJBSIPLAMMXAS-QGZVFWFLSA-N 2 1 330.476 1.479 20 0 EDADMP C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000617932338 449928226 /nfs/dbraw/zinc/92/82/26/449928226.db2.gz UQLXAENWSWKCHZ-GOSISDBHSA-N 2 1 346.475 1.777 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000617932338 449928230 /nfs/dbraw/zinc/92/82/30/449928230.db2.gz UQLXAENWSWKCHZ-GOSISDBHSA-N 2 1 346.475 1.777 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000608704939 449915126 /nfs/dbraw/zinc/91/51/26/449915126.db2.gz PNQBTBVJGWLQBP-UHFFFAOYSA-N 2 1 342.528 1.717 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000608704939 449915131 /nfs/dbraw/zinc/91/51/31/449915131.db2.gz PNQBTBVJGWLQBP-UHFFFAOYSA-N 2 1 342.528 1.717 20 0 EDADMP COCCC[NH+](C)CCNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000608704939 449915135 /nfs/dbraw/zinc/91/51/35/449915135.db2.gz PNQBTBVJGWLQBP-UHFFFAOYSA-N 2 1 342.528 1.717 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612985667 449971393 /nfs/dbraw/zinc/97/13/93/449971393.db2.gz MFJSPFZWAIGTJQ-HOCLYGCPSA-N 2 1 336.480 1.023 20 0 EDADMP COC(=O)CCN1CCC[C@@H]([N@H+]2CCC[C@H](c3ncc[nH]3)C2)C1=O ZINC000595377172 450091891 /nfs/dbraw/zinc/09/18/91/450091891.db2.gz LJDOPKVSIIFBAH-UONOGXRCSA-N 2 1 334.420 1.143 20 0 EDADMP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2 ZINC000615617235 450168841 /nfs/dbraw/zinc/16/88/41/450168841.db2.gz VQGGANTXBDCAGO-IBGZPJMESA-N 2 1 349.519 1.966 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613581241 450234773 /nfs/dbraw/zinc/23/47/73/450234773.db2.gz ASBICEIXDDOANE-GOSISDBHSA-N 2 1 333.476 1.296 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000622727222 450293098 /nfs/dbraw/zinc/29/30/98/450293098.db2.gz HQGNBVGFBJTORD-UHFFFAOYSA-N 2 1 347.507 1.621 20 0 EDADMP COC(=O)c1ccc(CNC(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000603430643 450299511 /nfs/dbraw/zinc/29/95/11/450299511.db2.gz AZSKATIUPXAMFV-CQDKDKBSSA-N 2 1 333.432 1.193 20 0 EDADMP CC(CC[NH+]1CCc2nc[nH]c2C1)CC[N@H+]1CCc2nc[nH]c2C1 ZINC000625434607 450359283 /nfs/dbraw/zinc/35/92/83/450359283.db2.gz CIGBLUGBLTZSDU-UHFFFAOYSA-N 2 1 328.464 1.966 20 0 EDADMP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000619898640 450364668 /nfs/dbraw/zinc/36/46/68/450364668.db2.gz SPLILUGNBXPKHT-HKUYNNGSSA-N 2 1 345.487 1.785 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000619898640 450364670 /nfs/dbraw/zinc/36/46/70/450364670.db2.gz SPLILUGNBXPKHT-HKUYNNGSSA-N 2 1 345.487 1.785 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620482202 450501622 /nfs/dbraw/zinc/50/16/22/450501622.db2.gz LFUDXSLDHUPDDH-QZTJIDSGSA-N 2 1 331.460 1.347 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620482202 450501624 /nfs/dbraw/zinc/50/16/24/450501624.db2.gz LFUDXSLDHUPDDH-QZTJIDSGSA-N 2 1 331.460 1.347 20 0 EDADMP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000620722839 450532935 /nfs/dbraw/zinc/53/29/35/450532935.db2.gz IUKFQIVLYPQPGW-GOSISDBHSA-N 2 1 332.492 1.261 20 0 EDADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000620722839 450532937 /nfs/dbraw/zinc/53/29/37/450532937.db2.gz IUKFQIVLYPQPGW-GOSISDBHSA-N 2 1 332.492 1.261 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000620722839 450532940 /nfs/dbraw/zinc/53/29/40/450532940.db2.gz IUKFQIVLYPQPGW-GOSISDBHSA-N 2 1 332.492 1.261 20 0 EDADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000620722839 450532943 /nfs/dbraw/zinc/53/29/43/450532943.db2.gz IUKFQIVLYPQPGW-GOSISDBHSA-N 2 1 332.492 1.261 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000623723677 450573090 /nfs/dbraw/zinc/57/30/90/450573090.db2.gz ZKNXIQXHHQYCGJ-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000621014822 450573462 /nfs/dbraw/zinc/57/34/62/450573462.db2.gz IVFORPKSRDRKNS-ROUUACIJSA-N 2 1 328.460 1.928 20 0 EDADMP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000621014822 450573464 /nfs/dbraw/zinc/57/34/64/450573464.db2.gz IVFORPKSRDRKNS-ROUUACIJSA-N 2 1 328.460 1.928 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000621153671 450601881 /nfs/dbraw/zinc/60/18/81/450601881.db2.gz XFEXWDQOYPJPDD-HKUYNNGSSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000631663859 450703529 /nfs/dbraw/zinc/70/35/29/450703529.db2.gz QCASXCLJNPGXJF-HNNXBMFYSA-N 2 1 331.457 1.300 20 0 EDADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000629514950 450722745 /nfs/dbraw/zinc/72/27/45/450722745.db2.gz WLAKREIXVPYMIL-KGYLQXTDSA-N 2 1 332.370 1.686 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2cccnc2)CC[C@@H]1C(F)(F)F ZINC000629559796 450736255 /nfs/dbraw/zinc/73/62/55/450736255.db2.gz BWJUCXJSJIYVOC-YPMHNXCESA-N 2 1 330.354 1.869 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cccnc2)CC[C@@H]1C(F)(F)F ZINC000629559796 450736260 /nfs/dbraw/zinc/73/62/60/450736260.db2.gz BWJUCXJSJIYVOC-YPMHNXCESA-N 2 1 330.354 1.869 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000629568316 450741228 /nfs/dbraw/zinc/74/12/28/450741228.db2.gz JGRNNNLYQUZVKF-CQSZACIVSA-N 2 1 325.428 1.513 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000629568316 450741233 /nfs/dbraw/zinc/74/12/33/450741233.db2.gz JGRNNNLYQUZVKF-CQSZACIVSA-N 2 1 325.428 1.513 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000629568636 450741418 /nfs/dbraw/zinc/74/14/18/450741418.db2.gz RWFZDPBYDWJUIZ-UHFFFAOYSA-N 2 1 347.503 1.636 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000629568636 450741419 /nfs/dbraw/zinc/74/14/19/450741419.db2.gz RWFZDPBYDWJUIZ-UHFFFAOYSA-N 2 1 347.503 1.636 20 0 EDADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)CCOCC[NH3+] ZINC000629574026 450743616 /nfs/dbraw/zinc/74/36/16/450743616.db2.gz FYPLOZCCOCEQBD-LLVKDONJSA-N 2 1 344.253 1.683 20 0 EDADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000629574026 450743620 /nfs/dbraw/zinc/74/36/20/450743620.db2.gz FYPLOZCCOCEQBD-LLVKDONJSA-N 2 1 344.253 1.683 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+](C)CCOCC[NH3+] ZINC000629574821 450744542 /nfs/dbraw/zinc/74/45/42/450744542.db2.gz JSHIPNYHTQMHSK-LLVKDONJSA-N 2 1 333.354 1.940 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000629574821 450744544 /nfs/dbraw/zinc/74/45/44/450744544.db2.gz JSHIPNYHTQMHSK-LLVKDONJSA-N 2 1 333.354 1.940 20 0 EDADMP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+](C)CCOCC[NH3+] ZINC000629580803 450747004 /nfs/dbraw/zinc/74/70/04/450747004.db2.gz ZHYCWDHTFGGLSE-CQSZACIVSA-N 2 1 348.447 1.048 20 0 EDADMP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+](C)CCOCC[NH3+] ZINC000629580803 450747010 /nfs/dbraw/zinc/74/70/10/450747010.db2.gz ZHYCWDHTFGGLSE-CQSZACIVSA-N 2 1 348.447 1.048 20 0 EDADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000629595003 450755349 /nfs/dbraw/zinc/75/53/49/450755349.db2.gz HZACPZHTBWIVPU-OAHLLOKOSA-N 2 1 337.489 1.094 20 0 EDADMP Cn1nnc2cc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc21 ZINC000629657538 450773609 /nfs/dbraw/zinc/77/36/09/450773609.db2.gz ZBADTPUCMRCXID-VXGBXAGGSA-N 2 1 327.354 1.927 20 0 EDADMP Cn1nnc2cc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc21 ZINC000629657538 450773611 /nfs/dbraw/zinc/77/36/11/450773611.db2.gz ZBADTPUCMRCXID-VXGBXAGGSA-N 2 1 327.354 1.927 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000631949425 450907474 /nfs/dbraw/zinc/90/74/74/450907474.db2.gz GJEAQXIZLFOBPG-OAHLLOKOSA-N 2 1 329.510 1.122 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631965011 450923530 /nfs/dbraw/zinc/92/35/30/450923530.db2.gz QTQOVQDEKBVGAY-IRXDYDNUSA-N 2 1 345.553 1.854 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000635442756 450945521 /nfs/dbraw/zinc/94/55/21/450945521.db2.gz BZHWZVTZSNOZPQ-MRXNPFEDSA-N 2 1 334.464 1.720 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000635442756 450945524 /nfs/dbraw/zinc/94/55/24/450945524.db2.gz BZHWZVTZSNOZPQ-MRXNPFEDSA-N 2 1 334.464 1.720 20 0 EDADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@@H]1COCCN1C ZINC000624732309 450968960 /nfs/dbraw/zinc/96/89/60/450968960.db2.gz ORKAXDJFPZJIKP-OAHLLOKOSA-N 2 1 338.452 1.074 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@H](C)O1 ZINC000626929227 451012927 /nfs/dbraw/zinc/01/29/27/451012927.db2.gz RBPHAOHSWKXZPU-LVYXFOGZSA-N 2 1 338.496 1.127 20 0 EDADMP CC[C@H](CNC(=O)NCCOCCC[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000626934752 451017434 /nfs/dbraw/zinc/01/74/34/451017434.db2.gz MZIVESGUHSFIQG-GOSISDBHSA-N 2 1 348.491 1.488 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000626942862 451022255 /nfs/dbraw/zinc/02/22/55/451022255.db2.gz UUMNRKSWGNHUSS-WMLDXEAASA-N 2 1 332.448 1.068 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632085385 451023492 /nfs/dbraw/zinc/02/34/92/451023492.db2.gz NREYBBWSBYYDEI-IXDOHACOSA-N 2 1 345.553 1.758 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626947073 451025139 /nfs/dbraw/zinc/02/51/39/451025139.db2.gz KQJAALDYUSRNSI-GASCZTMLSA-N 2 1 340.512 1.550 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)nc(C)[nH+]1 ZINC000626995622 451062047 /nfs/dbraw/zinc/06/20/47/451062047.db2.gz VJOMPWIZIHUQPM-SWLSCSKDSA-N 2 1 332.452 1.112 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NCC2([NH3+])CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000626999073 451064479 /nfs/dbraw/zinc/06/44/79/451064479.db2.gz WFGMJIILLDHFNS-WBVHZDCISA-N 2 1 346.475 1.457 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627002022 451067569 /nfs/dbraw/zinc/06/75/69/451067569.db2.gz PZYCZSGRFSBOAW-YTQUADARSA-N 2 1 336.524 1.995 20 0 EDADMP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000635570111 451069269 /nfs/dbraw/zinc/06/92/69/451069269.db2.gz YYZCWUCTFFOVEG-QZTJIDSGSA-N 2 1 344.459 1.025 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC000635572558 451071712 /nfs/dbraw/zinc/07/17/12/451071712.db2.gz LTTDSPVBDCUDRQ-HOTGVXAUSA-N 2 1 325.497 1.581 20 0 EDADMP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627010784 451074417 /nfs/dbraw/zinc/07/44/17/451074417.db2.gz SJJWQHDNGOTWHZ-AEFFLSMTSA-N 2 1 348.491 1.514 20 0 EDADMP CCN(CC[NH3+])C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000627019444 451084433 /nfs/dbraw/zinc/08/44/33/451084433.db2.gz DBUGILPEHCHMJK-INIZCTEOSA-N 2 1 336.505 1.594 20 0 EDADMP CCN(CC[NH3+])C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000627019444 451084440 /nfs/dbraw/zinc/08/44/40/451084440.db2.gz DBUGILPEHCHMJK-INIZCTEOSA-N 2 1 336.505 1.594 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000635629837 451118974 /nfs/dbraw/zinc/11/89/74/451118974.db2.gz HUYKDTLWZORZHH-HKUYNNGSSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000635629837 451118979 /nfs/dbraw/zinc/11/89/79/451118979.db2.gz HUYKDTLWZORZHH-HKUYNNGSSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000635629837 451118986 /nfs/dbraw/zinc/11/89/86/451118986.db2.gz HUYKDTLWZORZHH-HKUYNNGSSA-N 2 1 331.460 1.081 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(NC)cn1 ZINC000625027733 451119522 /nfs/dbraw/zinc/11/95/22/451119522.db2.gz UPRKYTAMJHQQPI-CQSZACIVSA-N 2 1 334.468 1.006 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000627173480 451163301 /nfs/dbraw/zinc/16/33/01/451163301.db2.gz YEYLPGCWCDDSSV-UHFFFAOYSA-N 2 1 336.436 1.179 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC[N@H+]1CCOC ZINC000627202067 451183984 /nfs/dbraw/zinc/18/39/84/451183984.db2.gz NDWKLFLXAANCTF-ARFHVFGLSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000638098661 451263132 /nfs/dbraw/zinc/26/31/32/451263132.db2.gz CEHPEFMDAVAMST-JCGIZDLHSA-N 2 1 331.460 1.614 20 0 EDADMP CC[NH2+][C@H](C)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000638098702 451263969 /nfs/dbraw/zinc/26/39/69/451263969.db2.gz DJENTDAZZIVPNX-QGZVFWFLSA-N 2 1 332.492 1.261 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@@]2(C[NH3+])CCCOC2)cc1)[NH+]1CCOCC1 ZINC000638100090 451265702 /nfs/dbraw/zinc/26/57/02/451265702.db2.gz JVVOHDNJQLLFPD-DNVCBOLYSA-N 2 1 347.459 1.774 20 0 EDADMP c1c(C[C@H]2CC[NH2+]C2)nnn1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000630596304 451269015 /nfs/dbraw/zinc/26/90/15/451269015.db2.gz NRHYIHZDNGUFET-MSOLQXFVSA-N 2 1 325.460 1.952 20 0 EDADMP C[NH+](C)CCCC1CC[NH+](Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000638121854 451291658 /nfs/dbraw/zinc/29/16/58/451291658.db2.gz MLODUJSFWGRAGL-UHFFFAOYSA-N 2 1 329.466 1.481 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635843484 451292348 /nfs/dbraw/zinc/29/23/48/451292348.db2.gz ULKQUDCARBGPPA-HXUWFJFHSA-N 2 1 345.487 1.424 20 0 EDADMP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000638126922 451296482 /nfs/dbraw/zinc/29/64/82/451296482.db2.gz RSQHEHOKOZZOPB-CVEARBPZSA-N 2 1 325.497 1.900 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000638129261 451300385 /nfs/dbraw/zinc/30/03/85/451300385.db2.gz XZUAVLTZCLBDEK-SZVBFZGTSA-N 2 1 331.460 1.521 20 0 EDADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[NH+]1C ZINC000635839273 451288094 /nfs/dbraw/zinc/28/80/94/451288094.db2.gz DXVYJABPRQWUIV-AZUAARDMSA-N 2 1 345.487 1.566 20 0 EDADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635839273 451288099 /nfs/dbraw/zinc/28/80/99/451288099.db2.gz DXVYJABPRQWUIV-AZUAARDMSA-N 2 1 345.487 1.566 20 0 EDADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000635839273 451288105 /nfs/dbraw/zinc/28/81/05/451288105.db2.gz DXVYJABPRQWUIV-AZUAARDMSA-N 2 1 345.487 1.566 20 0 EDADMP Cn1cc(N2CC[C@H]([N@@H+](C)CCCC[NH+]3CCCCC3)C2=O)cn1 ZINC000640531256 451382504 /nfs/dbraw/zinc/38/25/04/451382504.db2.gz NSRLLVDHIZEQKE-KRWDZBQOSA-N 2 1 333.480 1.723 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638254876 451383386 /nfs/dbraw/zinc/38/33/86/451383386.db2.gz JALKKFVLBINKPF-YQVWRLOYSA-N 2 1 331.460 1.379 20 0 EDADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000640534029 451383580 /nfs/dbraw/zinc/38/35/80/451383580.db2.gz ZXGZKDSFJVTDFO-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H]4C[C@@]4(O)C3)CC2)cc1 ZINC000640476888 451338318 /nfs/dbraw/zinc/33/83/18/451338318.db2.gz PTCLZXSSEFQTRB-UYAOXDASSA-N 2 1 343.471 1.096 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H]4C[C@@]4(O)C3)CC2)cc1 ZINC000640476888 451338323 /nfs/dbraw/zinc/33/83/23/451338323.db2.gz PTCLZXSSEFQTRB-UYAOXDASSA-N 2 1 343.471 1.096 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@H]4C[C@@]4(O)C3)CC2)cc1 ZINC000640476888 451338330 /nfs/dbraw/zinc/33/83/30/451338330.db2.gz PTCLZXSSEFQTRB-UYAOXDASSA-N 2 1 343.471 1.096 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@H]4C[C@@]4(O)C3)CC2)cc1 ZINC000640476888 451338336 /nfs/dbraw/zinc/33/83/36/451338336.db2.gz PTCLZXSSEFQTRB-UYAOXDASSA-N 2 1 343.471 1.096 20 0 EDADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638285403 451402802 /nfs/dbraw/zinc/40/28/02/451402802.db2.gz KLOSXQXXOUZQBR-ROUUACIJSA-N 2 1 332.492 1.388 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000638285403 451402808 /nfs/dbraw/zinc/40/28/08/451402808.db2.gz KLOSXQXXOUZQBR-ROUUACIJSA-N 2 1 332.492 1.388 20 0 EDADMP C[NH+](C)Cc1ccnc(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000640562304 451407317 /nfs/dbraw/zinc/40/73/17/451407317.db2.gz LONPOSPSRLPGAE-UHFFFAOYSA-N 2 1 349.479 1.454 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000630810038 451415921 /nfs/dbraw/zinc/41/59/21/451415921.db2.gz KWYZFHMAIGLEJX-JKSUJKDBSA-N 2 1 344.459 1.835 20 0 EDADMP C[C@@H]1C[C@H](CCNC(=O)CN2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000638310261 451424049 /nfs/dbraw/zinc/42/40/49/451424049.db2.gz QCNCZEZCCJADJZ-MJGOQNOKSA-N 2 1 344.503 1.309 20 0 EDADMP CC(C)(C)NS(=O)(=O)C1(C[NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000638310040 451424403 /nfs/dbraw/zinc/42/44/03/451424403.db2.gz VGNAPDJKHDWVCF-UHFFFAOYSA-N 2 1 331.526 1.703 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC1(O)CCOCC1 ZINC000634637290 451429160 /nfs/dbraw/zinc/42/91/60/451429160.db2.gz RXIOMDRYMHPECP-LJQANCHMSA-N 2 1 348.487 1.533 20 0 EDADMP O=C1CCCN1CCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634637503 451429280 /nfs/dbraw/zinc/42/92/80/451429280.db2.gz WFRWXCQMBBPMQH-LJQANCHMSA-N 2 1 331.460 1.226 20 0 EDADMP O=C1CCCN1CCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634637503 451429284 /nfs/dbraw/zinc/42/92/84/451429284.db2.gz WFRWXCQMBBPMQH-LJQANCHMSA-N 2 1 331.460 1.226 20 0 EDADMP C[C@@](O)(C[C@H](O)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000634642874 451435472 /nfs/dbraw/zinc/43/54/72/451435472.db2.gz RXJGYHCXTZJUGR-VQTJNVASSA-N 2 1 332.488 1.936 20 0 EDADMP C[C@@](O)(C[C@H](O)C[NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000634642874 451435478 /nfs/dbraw/zinc/43/54/78/451435478.db2.gz RXJGYHCXTZJUGR-VQTJNVASSA-N 2 1 332.488 1.936 20 0 EDADMP C[NH+](C)Cc1cc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)ccn1 ZINC000640614593 451462082 /nfs/dbraw/zinc/46/20/82/451462082.db2.gz ADWGKIUZTSHBKD-INIZCTEOSA-N 2 1 337.493 1.702 20 0 EDADMP C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC000638392406 451483600 /nfs/dbraw/zinc/48/36/00/451483600.db2.gz YPKAOZMALRJCHQ-CQSZACIVSA-N 2 1 325.478 1.546 20 0 EDADMP C[C@](O)(C[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000634711237 451490975 /nfs/dbraw/zinc/49/09/75/451490975.db2.gz LRLFHDGWTBHDQV-AABGKKOBSA-N 2 1 348.487 1.255 20 0 EDADMP CCn1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1=O ZINC000634713246 451493151 /nfs/dbraw/zinc/49/31/51/451493151.db2.gz SMZJSWXWMZZRQQ-FQEVSTJZSA-N 2 1 341.455 1.595 20 0 EDADMP CCn1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1=O ZINC000634713246 451493157 /nfs/dbraw/zinc/49/31/57/451493157.db2.gz SMZJSWXWMZZRQQ-FQEVSTJZSA-N 2 1 341.455 1.595 20 0 EDADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000638338102 451441439 /nfs/dbraw/zinc/44/14/39/451441439.db2.gz RABVWUPHMIGAKO-GUDVDZBRSA-N 2 1 345.487 1.639 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000638420961 451505645 /nfs/dbraw/zinc/50/56/45/451505645.db2.gz RAJPKBAXMVQCQD-INIZCTEOSA-N 2 1 330.476 1.455 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N[C@H]1Cc2cncn2C1 ZINC000636784901 451506206 /nfs/dbraw/zinc/50/62/06/451506206.db2.gz ANIYWJMWRFARIW-IRXDYDNUSA-N 2 1 339.443 1.772 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C)n2C ZINC000636090912 451508901 /nfs/dbraw/zinc/50/89/01/451508901.db2.gz NEURCSSLOONNLU-KGLIPLIRSA-N 2 1 344.463 1.493 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638448445 451520954 /nfs/dbraw/zinc/52/09/54/451520954.db2.gz RIPQBXUKXRLKDH-SJLPKXTDSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000638448445 451520959 /nfs/dbraw/zinc/52/09/59/451520959.db2.gz RIPQBXUKXRLKDH-SJLPKXTDSA-N 2 1 331.460 1.488 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636114425 451522945 /nfs/dbraw/zinc/52/29/45/451522945.db2.gz JOQNPIAVUNJNLK-GASCZTMLSA-N 2 1 342.447 1.579 20 0 EDADMP C[C@H](C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C ZINC000636123964 451529339 /nfs/dbraw/zinc/52/93/39/451529339.db2.gz SYBTZIPPDOMLNT-NXHRZFHOSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2c1NC(=O)CO2 ZINC000636161776 451556225 /nfs/dbraw/zinc/55/62/25/451556225.db2.gz PPNZTZOTRIXVLJ-ZDUSSCGKSA-N 2 1 348.447 1.019 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2c1NC(=O)CO2 ZINC000636161776 451556232 /nfs/dbraw/zinc/55/62/32/451556232.db2.gz PPNZTZOTRIXVLJ-ZDUSSCGKSA-N 2 1 348.447 1.019 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CC[NH+](CCc3ccncc3)CC2)CC[N@@H+]1C ZINC000636294738 451664097 /nfs/dbraw/zinc/66/40/97/451664097.db2.gz HNUWTGNLBPMIHU-WMZOPIPTSA-N 2 1 330.476 1.499 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CC[NH+](CCc3ccncc3)CC2)CC[N@H+]1C ZINC000636294738 451664102 /nfs/dbraw/zinc/66/41/02/451664102.db2.gz HNUWTGNLBPMIHU-WMZOPIPTSA-N 2 1 330.476 1.499 20 0 EDADMP CNS(=O)(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000631229277 451651581 /nfs/dbraw/zinc/65/15/81/451651581.db2.gz IEIKIMKKKQASDK-RDJZCZTQSA-N 2 1 339.505 1.568 20 0 EDADMP C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000637032461 451689060 /nfs/dbraw/zinc/68/90/60/451689060.db2.gz AYOPMUVLEYGUNA-INMHGKMJSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637032461 451689062 /nfs/dbraw/zinc/68/90/62/451689062.db2.gz AYOPMUVLEYGUNA-INMHGKMJSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@@H](NC(=O)NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000637032461 451689064 /nfs/dbraw/zinc/68/90/64/451689064.db2.gz AYOPMUVLEYGUNA-INMHGKMJSA-N 2 1 338.496 1.005 20 0 EDADMP CCC1([NH+]2CCOCC2)CCN(C(=O)c2csc(C[NH3+])n2)CC1 ZINC000638729601 451668345 /nfs/dbraw/zinc/66/83/45/451668345.db2.gz SNUDTQHESKHCRN-UHFFFAOYSA-N 2 1 338.477 1.319 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H]2CCC[NH2+]CC2)CC[N@H+]1CCOC ZINC000641032225 451735793 /nfs/dbraw/zinc/73/57/93/451735793.db2.gz HCPYBFGJLMIXJN-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP CCN(CCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000636493814 451735854 /nfs/dbraw/zinc/73/58/54/451735854.db2.gz KQFAAKLCCSUOOG-QGZVFWFLSA-N 2 1 334.464 1.269 20 0 EDADMP CCN(CCCNC(=O)NCCN1CC[C@@H](O)C1)c1ccccc1 ZINC000636493814 451735856 /nfs/dbraw/zinc/73/58/56/451735856.db2.gz KQFAAKLCCSUOOG-QGZVFWFLSA-N 2 1 334.464 1.269 20 0 EDADMP Cc1cc(C)c(Cn2cc(CNC(=O)C3CC[NH2+]CC3)nn2)c(C)[nH+]1 ZINC000641187467 451773186 /nfs/dbraw/zinc/77/31/86/451773186.db2.gz LHQAGRSYXZQXHU-UHFFFAOYSA-N 2 1 342.447 1.262 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccn(C(F)F)c1=O ZINC000639172331 451785006 /nfs/dbraw/zinc/78/50/06/451785006.db2.gz NXKJQOYRQHLKRS-UHFFFAOYSA-N 2 1 328.407 1.313 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)o3)C2)CC1 ZINC000639175898 451785930 /nfs/dbraw/zinc/78/59/30/451785930.db2.gz AVAAKHQOVBVVIL-ZDUSSCGKSA-N 2 1 327.450 1.091 20 0 EDADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)o3)C2)CC1 ZINC000639175898 451785932 /nfs/dbraw/zinc/78/59/32/451785932.db2.gz AVAAKHQOVBVVIL-ZDUSSCGKSA-N 2 1 327.450 1.091 20 0 EDADMP [NH3+]CCCCc1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641228765 451790816 /nfs/dbraw/zinc/79/08/16/451790816.db2.gz DAOWWFAEIZANJN-GOSISDBHSA-N 2 1 329.448 1.197 20 0 EDADMP O[C@]1(Cn2cc(C[NH+]3CCCC3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641230366 451791288 /nfs/dbraw/zinc/79/12/88/451791288.db2.gz PZNNQRUZYWJENO-LJQANCHMSA-N 2 1 341.459 1.511 20 0 EDADMP O[C@]1(Cn2cc(C[NH+]3CCCC3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641230366 451791291 /nfs/dbraw/zinc/79/12/91/451791291.db2.gz PZNNQRUZYWJENO-LJQANCHMSA-N 2 1 341.459 1.511 20 0 EDADMP O[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)Cn1ccnn1 ZINC000639257946 451800038 /nfs/dbraw/zinc/80/00/38/451800038.db2.gz URXUBKYLPKMCCW-UHOSZYNNSA-N 2 1 341.459 1.597 20 0 EDADMP O[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)Cn1ccnn1 ZINC000639257946 451800039 /nfs/dbraw/zinc/80/00/39/451800039.db2.gz URXUBKYLPKMCCW-UHOSZYNNSA-N 2 1 341.459 1.597 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000644601436 451887384 /nfs/dbraw/zinc/88/73/84/451887384.db2.gz UMQSTHDLGNKBJV-OALUTQOASA-N 2 1 348.487 1.797 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000644601436 451887391 /nfs/dbraw/zinc/88/73/91/451887391.db2.gz UMQSTHDLGNKBJV-OALUTQOASA-N 2 1 348.487 1.797 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC[N@@H+]1C ZINC000639510191 451915717 /nfs/dbraw/zinc/91/57/17/451915717.db2.gz XYIKRBWPTUAUDI-SOUVJXGZSA-N 2 1 345.443 1.058 20 0 EDADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC[N@H+]1C ZINC000639510191 451915722 /nfs/dbraw/zinc/91/57/22/451915722.db2.gz XYIKRBWPTUAUDI-SOUVJXGZSA-N 2 1 345.443 1.058 20 0 EDADMP C[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC[NH+]1C ZINC000639510191 451915728 /nfs/dbraw/zinc/91/57/28/451915728.db2.gz XYIKRBWPTUAUDI-SOUVJXGZSA-N 2 1 345.443 1.058 20 0 EDADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC[NH+]1C ZINC000639510191 451915734 /nfs/dbraw/zinc/91/57/34/451915734.db2.gz XYIKRBWPTUAUDI-SOUVJXGZSA-N 2 1 345.443 1.058 20 0 EDADMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000646922198 451939388 /nfs/dbraw/zinc/93/93/88/451939388.db2.gz JRXFKQATYYEDBK-OTWHNJEPSA-N 2 1 343.471 1.440 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000646922198 451939391 /nfs/dbraw/zinc/93/93/91/451939391.db2.gz JRXFKQATYYEDBK-OTWHNJEPSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000646922198 451939394 /nfs/dbraw/zinc/93/93/94/451939394.db2.gz JRXFKQATYYEDBK-OTWHNJEPSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000646922198 451939399 /nfs/dbraw/zinc/93/93/99/451939399.db2.gz JRXFKQATYYEDBK-OTWHNJEPSA-N 2 1 343.471 1.440 20 0 EDADMP COC[C@@]1(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCC[NH2+]1 ZINC000649283597 451955574 /nfs/dbraw/zinc/95/55/74/451955574.db2.gz OVMHHDNZTMHDAG-LJQANCHMSA-N 2 1 349.450 1.629 20 0 EDADMP COC[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCC[NH2+]1 ZINC000649283597 451955578 /nfs/dbraw/zinc/95/55/78/451955578.db2.gz OVMHHDNZTMHDAG-LJQANCHMSA-N 2 1 349.450 1.629 20 0 EDADMP COC[C@]1(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000649288749 451963989 /nfs/dbraw/zinc/96/39/89/451963989.db2.gz FEQPANHFFNDUOL-IBGZPJMESA-N 2 1 333.476 1.912 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000649305086 451982471 /nfs/dbraw/zinc/98/24/71/451982471.db2.gz BXJXDNRGLJHEKU-NJAFHUGGSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000649305086 451982474 /nfs/dbraw/zinc/98/24/74/451982474.db2.gz BXJXDNRGLJHEKU-NJAFHUGGSA-N 2 1 331.460 1.392 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C[NH2+]CC3CC3)cc2)CC1 ZINC000649308574 451986970 /nfs/dbraw/zinc/98/69/70/451986970.db2.gz OQUIMKYFYSYYJG-UHFFFAOYSA-N 2 1 344.459 1.402 20 0 EDADMP CC1(OCC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[NH2+]C1 ZINC000649310565 451987648 /nfs/dbraw/zinc/98/76/48/451987648.db2.gz URRNKPNGYDIDLF-QGZVFWFLSA-N 2 1 331.460 1.046 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000649329685 452010457 /nfs/dbraw/zinc/01/04/57/452010457.db2.gz BRUDYMXBLSBOLW-GPFWEFOESA-N 2 1 327.472 1.963 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000649335479 452016311 /nfs/dbraw/zinc/01/63/11/452016311.db2.gz FIBNWAIDXAKQHS-IEBWSBKVSA-N 2 1 331.460 1.536 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649363800 452043311 /nfs/dbraw/zinc/04/33/11/452043311.db2.gz ODXZUBQYRRJUOS-MSOLQXFVSA-N 2 1 336.524 1.252 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000647077060 452045586 /nfs/dbraw/zinc/04/55/86/452045586.db2.gz YASYKXNOWNFMRQ-SQNIBIBYSA-N 2 1 331.460 1.644 20 0 EDADMP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000643159731 452050329 /nfs/dbraw/zinc/05/03/29/452050329.db2.gz JXJWPFSHTYOFDE-HNNXBMFYSA-N 2 1 332.448 1.971 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649378550 452052812 /nfs/dbraw/zinc/05/28/12/452052812.db2.gz IVDZSPTXAQEDSU-AEFFLSMTSA-N 2 1 337.508 1.726 20 0 EDADMP O=C(CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)N1CC[NH2+]CC1 ZINC000649411642 452074349 /nfs/dbraw/zinc/07/43/49/452074349.db2.gz NVVLXHAHFKXCRJ-HNNXBMFYSA-N 2 1 342.443 1.829 20 0 EDADMP COc1ccc(-c2noc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)n2)nn1 ZINC000639754562 452094788 /nfs/dbraw/zinc/09/47/88/452094788.db2.gz CFUUQDKQGFLESP-UHFFFAOYSA-N 2 1 344.419 1.453 20 0 EDADMP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637827232 452103634 /nfs/dbraw/zinc/10/36/34/452103634.db2.gz OBMNNLGGZGUKKP-NSHGMRRFSA-N 2 1 343.471 1.393 20 0 EDADMP C[C@@H]1CN(C(=O)Cc2cn3c(n2)CCCC3)CC[N@H+]1CC(C)(C)O ZINC000651848258 452115418 /nfs/dbraw/zinc/11/54/18/452115418.db2.gz KFVKIBKHHXPUMQ-CQSZACIVSA-N 2 1 334.464 1.066 20 0 EDADMP C[C@@H]1CN(C(=O)Cc2cn3c(n2)CCCC3)CCN1CC(C)(C)O ZINC000651848258 452115423 /nfs/dbraw/zinc/11/54/23/452115423.db2.gz KFVKIBKHHXPUMQ-CQSZACIVSA-N 2 1 334.464 1.066 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639771725 452115893 /nfs/dbraw/zinc/11/58/93/452115893.db2.gz WSMXWUIGXIHOJV-QGZVFWFLSA-N 2 1 338.521 1.492 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639771725 452115897 /nfs/dbraw/zinc/11/58/97/452115897.db2.gz WSMXWUIGXIHOJV-QGZVFWFLSA-N 2 1 338.521 1.492 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000643294350 452120255 /nfs/dbraw/zinc/12/02/55/452120255.db2.gz OUOCGOKLROZWEI-OAHLLOKOSA-N 2 1 328.501 1.517 20 0 EDADMP CC(C)[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H](O)CO ZINC000643296424 452121775 /nfs/dbraw/zinc/12/17/75/452121775.db2.gz VOYZLZXBGASGMV-GOSISDBHSA-N 2 1 336.476 1.725 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC=C(c3cnn(C)c3)C2)CC1 ZINC000639797526 452134548 /nfs/dbraw/zinc/13/45/48/452134548.db2.gz METQMVJYUVGPQQ-UHFFFAOYSA-N 2 1 331.508 1.925 20 0 EDADMP CCCN(C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CC[N@@H+](C)C1 ZINC000645126846 452165989 /nfs/dbraw/zinc/16/59/89/452165989.db2.gz QMHPMEGCZGIVCV-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CCCN(C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000645126846 452165992 /nfs/dbraw/zinc/16/59/92/452165992.db2.gz QMHPMEGCZGIVCV-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CCCN(C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000645126846 452165995 /nfs/dbraw/zinc/16/59/95/452165995.db2.gz QMHPMEGCZGIVCV-SJORKVTESA-N 2 1 340.512 1.469 20 0 EDADMP CO[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C(F)(F)F ZINC000649641345 452178878 /nfs/dbraw/zinc/17/88/78/452178878.db2.gz MKCAAGPHNIXRDO-CYBMUJFWSA-N 2 1 346.353 1.739 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC000654013267 452203979 /nfs/dbraw/zinc/20/39/79/452203979.db2.gz YRHBLBFENLCOHE-CVEARBPZSA-N 2 1 334.468 1.583 20 0 EDADMP C[C@@H]1C[NH+](CCN2CC3(CCCC3)OC[C@H]2C[NH+](C)C)C[C@@H](C)O1 ZINC000639880836 452216403 /nfs/dbraw/zinc/21/64/03/452216403.db2.gz SDHYDHBXMNSPFM-KZNAEPCWSA-N 2 1 339.524 1.671 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000647492604 452235542 /nfs/dbraw/zinc/23/55/42/452235542.db2.gz MPVOGACLJOFYGF-UHFFFAOYSA-N 2 1 334.855 1.258 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)CC1 ZINC000639931980 452245558 /nfs/dbraw/zinc/24/55/58/452245558.db2.gz RZCBYPQUMOOMDE-WOJBJXKFSA-N 2 1 347.503 1.527 20 0 EDADMP CCN(C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000663543670 452248057 /nfs/dbraw/zinc/24/80/57/452248057.db2.gz OOKBZAPXVGXRKE-HRCADAONSA-N 2 1 340.512 1.610 20 0 EDADMP CCN(C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000663543670 452248066 /nfs/dbraw/zinc/24/80/66/452248066.db2.gz OOKBZAPXVGXRKE-HRCADAONSA-N 2 1 340.512 1.610 20 0 EDADMP O=C(CC[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)Nc1ccccc1F ZINC000647522821 452256572 /nfs/dbraw/zinc/25/65/72/452256572.db2.gz GGHPVTIAOGXZMR-OAHLLOKOSA-N 2 1 337.439 1.981 20 0 EDADMP Cc1nc([C@H](C)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cs1 ZINC000641788357 452264139 /nfs/dbraw/zinc/26/41/39/452264139.db2.gz YTOYEKKHWSDLCT-HOCLYGCPSA-N 2 1 338.521 1.899 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000641801142 452275432 /nfs/dbraw/zinc/27/54/32/452275432.db2.gz ALRMTROVXFLIMK-GJZGRUSLSA-N 2 1 336.505 1.108 20 0 EDADMP COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000647550784 452276398 /nfs/dbraw/zinc/27/63/98/452276398.db2.gz GPUSKJYZKXJXGN-QAPCUYQASA-N 2 1 345.487 1.816 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641804747 452284179 /nfs/dbraw/zinc/28/41/79/452284179.db2.gz LEVVJYZXQGJCQC-IAGOWNOFSA-N 2 1 333.476 1.943 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000641806447 452286346 /nfs/dbraw/zinc/28/63/46/452286346.db2.gz PNTCJUSHTZGSKM-ARFHVFGLSA-N 2 1 335.423 1.441 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000641810188 452290796 /nfs/dbraw/zinc/29/07/96/452290796.db2.gz ZNQSPAHOVBWKQB-HUUCEWRRSA-N 2 1 330.432 1.467 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659443336 452291079 /nfs/dbraw/zinc/29/10/79/452291079.db2.gz ZUCNMXVEXYSOCA-XLNGHYISSA-N 2 1 334.439 1.903 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CCCC1 ZINC000638049161 452318481 /nfs/dbraw/zinc/31/84/81/452318481.db2.gz IYLMZIQDUHVMJF-QGZVFWFLSA-N 2 1 332.492 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000638049161 452318487 /nfs/dbraw/zinc/31/84/87/452318487.db2.gz IYLMZIQDUHVMJF-QGZVFWFLSA-N 2 1 332.492 1.436 20 0 EDADMP [NH3+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C(F)(F)F ZINC000655513886 452323060 /nfs/dbraw/zinc/32/30/60/452323060.db2.gz HMMUCWYRHQSJOL-QWHCGFSZSA-N 2 1 330.354 1.299 20 0 EDADMP CCO[C@@H]1CN(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652138698 452332302 /nfs/dbraw/zinc/33/23/02/452332302.db2.gz NCQASHQZHWPAKD-ZHCJQAHYSA-N 2 1 340.512 1.358 20 0 EDADMP CCO[C@@H]1CN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652137306 452332420 /nfs/dbraw/zinc/33/24/20/452332420.db2.gz GOXNBOGYWSWMPF-BZUAXINKSA-N 2 1 340.512 1.502 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000645354257 452332838 /nfs/dbraw/zinc/33/28/38/452332838.db2.gz QUVGYUOYMRMDKB-CABCVRRESA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCOC(C)(C)[C@H]1C ZINC000665760645 452333597 /nfs/dbraw/zinc/33/35/97/452333597.db2.gz MEUWBMQOSOYENG-LSDHHAIUSA-N 2 1 328.501 1.467 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCOC(C)(C)[C@H]1C ZINC000665760645 452333609 /nfs/dbraw/zinc/33/36/09/452333609.db2.gz MEUWBMQOSOYENG-LSDHHAIUSA-N 2 1 328.501 1.467 20 0 EDADMP CC(C)[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C(C)(C)O ZINC000665761865 452334405 /nfs/dbraw/zinc/33/44/05/452334405.db2.gz RUDUSXMWWVPRNU-GJZGRUSLSA-N 2 1 330.517 1.353 20 0 EDADMP CC(C)[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C(C)(C)O ZINC000665761865 452334416 /nfs/dbraw/zinc/33/44/16/452334416.db2.gz RUDUSXMWWVPRNU-GJZGRUSLSA-N 2 1 330.517 1.353 20 0 EDADMP CCC[C@@]1(CO)CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665761349 452334840 /nfs/dbraw/zinc/33/48/40/452334840.db2.gz AEVPYOCZGWEUBM-WMZOPIPTSA-N 2 1 342.528 1.595 20 0 EDADMP CCC[C@@]1(CO)CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665761349 452334848 /nfs/dbraw/zinc/33/48/48/452334848.db2.gz AEVPYOCZGWEUBM-WMZOPIPTSA-N 2 1 342.528 1.595 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652144690 452337449 /nfs/dbraw/zinc/33/74/49/452337449.db2.gz OONVPBPTHKJWLY-YQQAZPJKSA-N 2 1 338.496 1.399 20 0 EDADMP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663609595 452337946 /nfs/dbraw/zinc/33/79/46/452337946.db2.gz UUQNEUGODPNAFV-MRXNPFEDSA-N 2 1 344.459 1.322 20 0 EDADMP C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659480420 452338852 /nfs/dbraw/zinc/33/88/52/452338852.db2.gz LQOPPHIAKSVYOH-SNXQWQLTSA-N 2 1 342.487 1.948 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000665763526 452343140 /nfs/dbraw/zinc/34/31/40/452343140.db2.gz DKEXESIOEGDXGR-IRXDYDNUSA-N 2 1 341.544 1.383 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665763526 452343146 /nfs/dbraw/zinc/34/31/46/452343146.db2.gz DKEXESIOEGDXGR-IRXDYDNUSA-N 3 1 341.544 1.383 20 0 EDADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665763526 452343153 /nfs/dbraw/zinc/34/31/53/452343153.db2.gz DKEXESIOEGDXGR-IRXDYDNUSA-N 3 1 341.544 1.383 20 0 EDADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C1 ZINC000665763526 452343158 /nfs/dbraw/zinc/34/31/58/452343158.db2.gz DKEXESIOEGDXGR-IRXDYDNUSA-N 3 1 341.544 1.383 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C1 ZINC000665763526 452343164 /nfs/dbraw/zinc/34/31/64/452343164.db2.gz DKEXESIOEGDXGR-IRXDYDNUSA-N 3 1 341.544 1.383 20 0 EDADMP CC[C@H]1[C@H](CO)CCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665764267 452346952 /nfs/dbraw/zinc/34/69/52/452346952.db2.gz ZSZZKRLYKVYVHK-JYJNAYRXSA-N 2 1 328.501 1.061 20 0 EDADMP CC[C@H]1[C@H](CO)CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665764267 452346960 /nfs/dbraw/zinc/34/69/60/452346960.db2.gz ZSZZKRLYKVYVHK-JYJNAYRXSA-N 2 1 328.501 1.061 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@@H](CC)CO1 ZINC000665763973 452349772 /nfs/dbraw/zinc/34/97/72/452349772.db2.gz QLIPEZHBWSAALJ-ULQDDVLXSA-N 2 1 342.528 1.857 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H](CC)CO1 ZINC000665763973 452349776 /nfs/dbraw/zinc/34/97/76/452349776.db2.gz QLIPEZHBWSAALJ-ULQDDVLXSA-N 2 1 342.528 1.857 20 0 EDADMP CCCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000665763749 452350064 /nfs/dbraw/zinc/35/00/64/452350064.db2.gz KZQJEXNBGHLCMO-DLBZAZTESA-N 2 1 341.544 1.384 20 0 EDADMP CCCN(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000665763749 452350066 /nfs/dbraw/zinc/35/00/66/452350066.db2.gz KZQJEXNBGHLCMO-DLBZAZTESA-N 3 1 341.544 1.384 20 0 EDADMP CCCN(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000665763749 452350069 /nfs/dbraw/zinc/35/00/69/452350069.db2.gz KZQJEXNBGHLCMO-DLBZAZTESA-N 3 1 341.544 1.384 20 0 EDADMP CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@@H]1CC[NH+](C)C1 ZINC000665763749 452350073 /nfs/dbraw/zinc/35/00/73/452350073.db2.gz KZQJEXNBGHLCMO-DLBZAZTESA-N 3 1 341.544 1.384 20 0 EDADMP CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H]1CC[NH+](C)C1 ZINC000665763749 452350076 /nfs/dbraw/zinc/35/00/76/452350076.db2.gz KZQJEXNBGHLCMO-DLBZAZTESA-N 3 1 341.544 1.384 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638074456 452387567 /nfs/dbraw/zinc/38/75/67/452387567.db2.gz BCGDMYOHQFJNOC-LJQANCHMSA-N 2 1 346.519 1.779 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000638080879 452398836 /nfs/dbraw/zinc/39/88/36/452398836.db2.gz SJGHOJPOVOKHHT-HBFSDRIKSA-N 2 1 345.487 1.924 20 0 EDADMP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000652202374 452401335 /nfs/dbraw/zinc/40/13/35/452401335.db2.gz IRUUSSAKBOIZLD-UHOSZYNNSA-N 2 1 344.503 1.943 20 0 EDADMP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000652202374 452401341 /nfs/dbraw/zinc/40/13/41/452401341.db2.gz IRUUSSAKBOIZLD-UHOSZYNNSA-N 2 1 344.503 1.943 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652209090 452404742 /nfs/dbraw/zinc/40/47/42/452404742.db2.gz ZUPKYRMLGSTABN-ROUUACIJSA-N 2 1 332.492 1.928 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652209090 452404751 /nfs/dbraw/zinc/40/47/51/452404751.db2.gz ZUPKYRMLGSTABN-ROUUACIJSA-N 2 1 332.492 1.928 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652216226 452409632 /nfs/dbraw/zinc/40/96/32/452409632.db2.gz MMYOJIRVVOTKMA-BPQIPLTHSA-N 2 1 330.476 1.553 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652216226 452409636 /nfs/dbraw/zinc/40/96/36/452409636.db2.gz MMYOJIRVVOTKMA-BPQIPLTHSA-N 2 1 330.476 1.553 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000663680264 452416535 /nfs/dbraw/zinc/41/65/35/452416535.db2.gz DXNILOGINFWCCE-BBWFWOEESA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000663680264 452416540 /nfs/dbraw/zinc/41/65/40/452416540.db2.gz DXNILOGINFWCCE-BBWFWOEESA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000663680264 452416544 /nfs/dbraw/zinc/41/65/44/452416544.db2.gz DXNILOGINFWCCE-BBWFWOEESA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000663680264 452416549 /nfs/dbraw/zinc/41/65/49/452416549.db2.gz DXNILOGINFWCCE-BBWFWOEESA-N 3 1 339.528 1.184 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000663680264 452416552 /nfs/dbraw/zinc/41/65/52/452416552.db2.gz DXNILOGINFWCCE-BBWFWOEESA-N 3 1 339.528 1.184 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000652224880 452417717 /nfs/dbraw/zinc/41/77/17/452417717.db2.gz KDHBLNRKVUNRIQ-SJORKVTESA-N 2 1 340.512 1.502 20 0 EDADMP [NH3+]C1(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCCC1 ZINC000659575027 452429249 /nfs/dbraw/zinc/42/92/49/452429249.db2.gz HQZGCGQNWICXBD-HUUCEWRRSA-N 2 1 336.480 1.201 20 0 EDADMP C[C@@]1(F)C[NH2+]CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000659642110 452505408 /nfs/dbraw/zinc/50/54/08/452505408.db2.gz UYJLZBFTUFPPCU-QGZVFWFLSA-N 2 1 326.460 1.451 20 0 EDADMP C[C@@H]1CN(CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000655698812 452519089 /nfs/dbraw/zinc/51/90/89/452519089.db2.gz WMNJBIFNNRJHHJ-ZHALLVOQSA-N 2 1 339.524 1.719 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3F)C2)C1 ZINC000652345414 452519728 /nfs/dbraw/zinc/51/97/28/452519728.db2.gz BHXNULHBGPEWKP-VBQJREDUSA-N 2 1 335.423 1.983 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3F)C2)C1 ZINC000652345414 452519733 /nfs/dbraw/zinc/51/97/33/452519733.db2.gz BHXNULHBGPEWKP-VBQJREDUSA-N 2 1 335.423 1.983 20 0 EDADMP Cc1ccc(C(=O)NCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655698033 452520277 /nfs/dbraw/zinc/52/02/77/452520277.db2.gz ZUSKBQGSAKQQJX-GOSISDBHSA-N 2 1 331.460 1.568 20 0 EDADMP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652345524 452520553 /nfs/dbraw/zinc/52/05/53/452520553.db2.gz DFWJENRLFSVJKR-RZFLPCETSA-N 2 1 337.508 1.709 20 0 EDADMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cn2)CC1 ZINC000647789746 452522319 /nfs/dbraw/zinc/52/23/19/452522319.db2.gz KMBXPXWUNLJCQJ-GBESFXJTSA-N 2 1 343.519 1.701 20 0 EDADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCn3ccnc32)c1 ZINC000655708203 452525572 /nfs/dbraw/zinc/52/55/72/452525572.db2.gz JTOXNWVWPZVLDS-QGZVFWFLSA-N 2 1 341.459 1.799 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ncnn3-c3ccccc3)C2)C1 ZINC000652350128 452526324 /nfs/dbraw/zinc/52/63/24/452526324.db2.gz HEUDNRNFVRQIBY-JZXOWHBKSA-N 2 1 341.459 1.986 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ncnn3-c3ccccc3)C2)C1 ZINC000652350128 452526332 /nfs/dbraw/zinc/52/63/32/452526332.db2.gz HEUDNRNFVRQIBY-JZXOWHBKSA-N 2 1 341.459 1.986 20 0 EDADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000655730892 452543808 /nfs/dbraw/zinc/54/38/08/452543808.db2.gz VOMVVWKSRAXIEJ-ZIFCJYIRSA-N 2 1 339.524 1.719 20 0 EDADMP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000655730892 452543820 /nfs/dbraw/zinc/54/38/20/452543820.db2.gz VOMVVWKSRAXIEJ-ZIFCJYIRSA-N 3 1 339.524 1.719 20 0 EDADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000655730892 452543832 /nfs/dbraw/zinc/54/38/32/452543832.db2.gz VOMVVWKSRAXIEJ-ZIFCJYIRSA-N 3 1 339.524 1.719 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1)N1CC[NH2+]CC1 ZINC000647824977 452558441 /nfs/dbraw/zinc/55/84/41/452558441.db2.gz KJKPSLHRKMNCTR-CQSZACIVSA-N 2 1 332.448 1.197 20 0 EDADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)Cn3cncn3)cc2)CC1 ZINC000657839607 452559259 /nfs/dbraw/zinc/55/92/59/452559259.db2.gz XANDVCNISOUXOH-QGZVFWFLSA-N 2 1 342.491 1.594 20 0 EDADMP COCC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCOCC1 ZINC000655769923 452566829 /nfs/dbraw/zinc/56/68/29/452566829.db2.gz SGDAJGHUMKNYKS-QGZVFWFLSA-N 2 1 326.481 1.663 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H](C)O)CC1 ZINC000661772488 452569278 /nfs/dbraw/zinc/56/92/78/452569278.db2.gz ZNUAWGASCQGCAA-IEBWSBKVSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C)O)CC1 ZINC000661772488 452569290 /nfs/dbraw/zinc/56/92/90/452569290.db2.gz ZNUAWGASCQGCAA-IEBWSBKVSA-N 2 1 345.487 1.484 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3[nH+]ccc4[nH]ccc43)CC2)C1 ZINC000647867138 452606144 /nfs/dbraw/zinc/60/61/44/452606144.db2.gz AEWRCLXSKHZVQY-INIZCTEOSA-N 2 1 343.475 1.794 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659721495 452612380 /nfs/dbraw/zinc/61/23/80/452612380.db2.gz GWJXMRYJHROKJN-HUUCEWRRSA-N 2 1 338.496 1.143 20 0 EDADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)ccc21 ZINC000650236995 452623598 /nfs/dbraw/zinc/62/35/98/452623598.db2.gz RMYRAWFLHWPUJC-SJLPKXTDSA-N 2 1 344.459 1.518 20 0 EDADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)ccc21 ZINC000650236995 452623610 /nfs/dbraw/zinc/62/36/10/452623610.db2.gz RMYRAWFLHWPUJC-SJLPKXTDSA-N 2 1 344.459 1.518 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCCO1 ZINC000654546197 452627936 /nfs/dbraw/zinc/62/79/36/452627936.db2.gz NIFVSINUYZWDAM-OAGGEKHMSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)CC1 ZINC000661880567 452646827 /nfs/dbraw/zinc/64/68/27/452646827.db2.gz PPLSSWUZSLMONW-RCCFBDPRSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)CC1 ZINC000661880567 452646840 /nfs/dbraw/zinc/64/68/40/452646840.db2.gz PPLSSWUZSLMONW-RCCFBDPRSA-N 2 1 337.508 1.820 20 0 EDADMP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978558 452724280 /nfs/dbraw/zinc/72/42/80/452724280.db2.gz UWCGNRXLHQZQFM-HZPDHXFCSA-N 2 1 348.491 1.563 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652892 452753819 /nfs/dbraw/zinc/75/38/19/452753819.db2.gz UPRSCUANGRGTRW-OVYGPGRDSA-N 2 1 340.512 1.466 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652892 452753831 /nfs/dbraw/zinc/75/38/31/452753831.db2.gz UPRSCUANGRGTRW-OVYGPGRDSA-N 2 1 340.512 1.466 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652892 452753842 /nfs/dbraw/zinc/75/38/42/452753842.db2.gz UPRSCUANGRGTRW-OVYGPGRDSA-N 2 1 340.512 1.466 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652892 452753850 /nfs/dbraw/zinc/75/38/50/452753850.db2.gz UPRSCUANGRGTRW-OVYGPGRDSA-N 2 1 340.512 1.466 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654735958 452864336 /nfs/dbraw/zinc/86/43/36/452864336.db2.gz XJJREYKSGKCGPJ-SFHVURJKSA-N 2 1 333.476 1.545 20 0 EDADMP Cc1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc(-c2ccncc2)n1 ZINC000664196738 452870365 /nfs/dbraw/zinc/87/03/65/452870365.db2.gz NIYASTJLANLJLE-INIZCTEOSA-N 2 1 342.491 1.953 20 0 EDADMP Cc1cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc(-c2ccncc2)n1 ZINC000664196738 452870373 /nfs/dbraw/zinc/87/03/73/452870373.db2.gz NIYASTJLANLJLE-INIZCTEOSA-N 2 1 342.491 1.953 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000654749390 452880395 /nfs/dbraw/zinc/88/03/95/452880395.db2.gz OXXOBXDVVNBGOU-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP COCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000654749390 452880403 /nfs/dbraw/zinc/88/04/03/452880403.db2.gz OXXOBXDVVNBGOU-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP COCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000654749390 452880412 /nfs/dbraw/zinc/88/04/12/452880412.db2.gz OXXOBXDVVNBGOU-OALUTQOASA-N 2 1 345.487 1.736 20 0 EDADMP CCN(C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CC[N@@H+](C)C1 ZINC000664210132 452883440 /nfs/dbraw/zinc/88/34/40/452883440.db2.gz IDAJIOXQZHFKMB-SFHVURJKSA-N 2 1 344.503 1.821 20 0 EDADMP CCc1onc(C)c1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000666461065 452887649 /nfs/dbraw/zinc/88/76/49/452887649.db2.gz UGBQTMWKMPIXHS-LBPRGKRZSA-N 2 1 325.457 1.939 20 0 EDADMP CCc1onc(C)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000666461065 452887655 /nfs/dbraw/zinc/88/76/55/452887655.db2.gz UGBQTMWKMPIXHS-LBPRGKRZSA-N 2 1 325.457 1.939 20 0 EDADMP CC[N@H+](CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C1CCCCC1 ZINC000652756725 452917024 /nfs/dbraw/zinc/91/70/24/452917024.db2.gz QWYUSOZYLHSUIK-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP CC[N@@H+](CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C1CCCCC1 ZINC000652756725 452917029 /nfs/dbraw/zinc/91/70/29/452917029.db2.gz QWYUSOZYLHSUIK-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP CC[NH+](CCCNC(=O)[C@H]1C[N@H+](CC)CCO1)C1CCCCC1 ZINC000652756725 452917035 /nfs/dbraw/zinc/91/70/35/452917035.db2.gz QWYUSOZYLHSUIK-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP CC[NH+](CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CCCCC1 ZINC000652756725 452917040 /nfs/dbraw/zinc/91/70/40/452917040.db2.gz QWYUSOZYLHSUIK-QGZVFWFLSA-N 2 1 325.497 1.868 20 0 EDADMP [NH3+]CCOCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000645961630 452941270 /nfs/dbraw/zinc/94/12/70/452941270.db2.gz FWAQXENCJFFOQZ-INIZCTEOSA-N 2 1 339.867 1.786 20 0 EDADMP [NH3+]CCOCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000645961630 452941277 /nfs/dbraw/zinc/94/12/77/452941277.db2.gz FWAQXENCJFFOQZ-INIZCTEOSA-N 2 1 339.867 1.786 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCc2ccc(F)cc21 ZINC000650724744 452952556 /nfs/dbraw/zinc/95/25/56/452952556.db2.gz LOTUKYXHXYAANA-HUUCEWRRSA-N 2 1 333.451 1.985 20 0 EDADMP COCCCn1nccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650725320 452954589 /nfs/dbraw/zinc/95/45/89/452954589.db2.gz YFTMREHHTOUKST-JQHSSLGASA-N 2 1 336.480 1.780 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977870 452964922 /nfs/dbraw/zinc/96/49/22/452964922.db2.gz MGFANRHYIPRTNT-SJLPKXTDSA-N 2 1 348.466 1.153 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977870 452964927 /nfs/dbraw/zinc/96/49/27/452964927.db2.gz MGFANRHYIPRTNT-SJLPKXTDSA-N 2 1 348.466 1.153 20 0 EDADMP COc1cc(NC(=O)C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc(OC)c1 ZINC000662259246 452988127 /nfs/dbraw/zinc/98/81/27/452988127.db2.gz SRQWLBCBMOHFHZ-AWEZNQCLSA-N 2 1 349.431 1.095 20 0 EDADMP COc1cc(NC(=O)C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc(OC)c1 ZINC000662259246 452988138 /nfs/dbraw/zinc/98/81/38/452988138.db2.gz SRQWLBCBMOHFHZ-AWEZNQCLSA-N 2 1 349.431 1.095 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1)CC(F)(F)F ZINC000662262560 452992898 /nfs/dbraw/zinc/99/28/98/452992898.db2.gz HLBVWFCTQAVJRS-KBPBESRZSA-N 2 1 335.414 1.714 20 0 EDADMP C[N@@H+](CCN1CCN(c2ccccc2)CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662266104 452997022 /nfs/dbraw/zinc/99/70/22/452997022.db2.gz XMEZNXQLRZAFPQ-LJQANCHMSA-N 2 1 344.503 1.261 20 0 EDADMP O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662281138 453004148 /nfs/dbraw/zinc/00/41/48/453004148.db2.gz UATAFMLMSDWPBW-KRWDZBQOSA-N 2 1 349.500 1.332 20 0 EDADMP CCOc1ccccc1C[N@@H+]1CCN(C[C@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000662281037 453004207 /nfs/dbraw/zinc/00/42/07/453004207.db2.gz RYQQYYJSYMIYGX-FUHWJXTLSA-N 2 1 333.476 1.580 20 0 EDADMP CCOc1ccccc1C[N@H+]1CCN(C[C@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000662281037 453004215 /nfs/dbraw/zinc/00/42/15/453004215.db2.gz RYQQYYJSYMIYGX-FUHWJXTLSA-N 2 1 333.476 1.580 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000662284586 453009974 /nfs/dbraw/zinc/00/99/74/453009974.db2.gz XRYWCOZSXJVNGS-YDHLFZDLSA-N 2 1 325.478 1.400 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000662284586 453009980 /nfs/dbraw/zinc/00/99/80/453009980.db2.gz XRYWCOZSXJVNGS-YDHLFZDLSA-N 2 1 325.478 1.400 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCc2nnnn2-c2ccccc2)CCO1 ZINC000662323477 453040411 /nfs/dbraw/zinc/04/04/11/453040411.db2.gz RAJDRXWWJOOTCS-QGZVFWFLSA-N 2 1 344.463 1.247 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCc2nnnn2-c2ccccc2)CCO1 ZINC000662323477 453040419 /nfs/dbraw/zinc/04/04/19/453040419.db2.gz RAJDRXWWJOOTCS-QGZVFWFLSA-N 2 1 344.463 1.247 20 0 EDADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000662338959 453056964 /nfs/dbraw/zinc/05/69/64/453056964.db2.gz XQRIDKBMMWYSKE-INIZCTEOSA-N 2 1 326.448 1.594 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662351052 453067345 /nfs/dbraw/zinc/06/73/45/453067345.db2.gz IJJJCLSYWUSPTB-AWEZNQCLSA-N 2 1 334.468 1.197 20 0 EDADMP COc1nccc(C[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)n1 ZINC000648446144 453090880 /nfs/dbraw/zinc/09/08/80/453090880.db2.gz DIIZOSRUKVHSAZ-OAHLLOKOSA-N 2 1 328.420 1.651 20 0 EDADMP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000656381181 453151883 /nfs/dbraw/zinc/15/18/83/453151883.db2.gz VKGNBGQCCZNYTE-SJORKVTESA-N 2 1 338.496 1.225 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000656381181 453151891 /nfs/dbraw/zinc/15/18/91/453151891.db2.gz VKGNBGQCCZNYTE-SJORKVTESA-N 2 1 338.496 1.225 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](Cn2cc([C@@H]([NH3+])c3ccccc3)nn2)C1 ZINC000656448910 453189807 /nfs/dbraw/zinc/18/98/07/453189807.db2.gz PQFQMFHOZCIFLM-AEFFLSMTSA-N 2 1 329.448 1.683 20 0 EDADMP CO[C@@H]1[C@@H](C)[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664587304 453220863 /nfs/dbraw/zinc/22/08/63/453220863.db2.gz KBBSAPUVZDKKRS-CAOSSQGBSA-N 2 1 342.528 1.617 20 0 EDADMP CO[C@@H]1[C@@H](C)[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664587306 453221380 /nfs/dbraw/zinc/22/13/80/453221380.db2.gz KBBSAPUVZDKKRS-YHUYYLMFSA-N 2 1 342.528 1.617 20 0 EDADMP C[C@@H](CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000664626846 453262064 /nfs/dbraw/zinc/26/20/64/453262064.db2.gz UMPNIELBCFWMRQ-YJBOKZPZSA-N 2 1 348.491 1.393 20 0 EDADMP [NH3+]CC[C@@H](NC(=O)[C@H]([NH3+])c1ccccc1Br)C(F)F ZINC000662565291 453292458 /nfs/dbraw/zinc/29/24/58/453292458.db2.gz ABUUHNCYCKZHGW-NXEZZACHSA-N 2 1 336.180 1.548 20 0 EDADMP C[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[N@H+]1Cc1ccccc1 ZINC000653122340 453312721 /nfs/dbraw/zinc/31/27/21/453312721.db2.gz UFWUDDOHOLGGGD-XPYUAMARSA-N 2 1 329.444 1.002 20 0 EDADMP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000667054828 453372668 /nfs/dbraw/zinc/37/26/68/453372668.db2.gz WWRMAEIIXUKZRA-WMLDXEAASA-N 2 1 332.448 1.977 20 0 EDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000656697743 453373399 /nfs/dbraw/zinc/37/33/99/453373399.db2.gz FZNMLZMRYJSDJE-MJGOQNOKSA-N 2 1 347.503 1.830 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000656697743 453373407 /nfs/dbraw/zinc/37/34/07/453373407.db2.gz FZNMLZMRYJSDJE-MJGOQNOKSA-N 2 1 347.503 1.830 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000656697743 453373419 /nfs/dbraw/zinc/37/34/19/453373419.db2.gz FZNMLZMRYJSDJE-MJGOQNOKSA-N 2 1 347.503 1.830 20 0 EDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000656697743 453373431 /nfs/dbraw/zinc/37/34/31/453373431.db2.gz FZNMLZMRYJSDJE-MJGOQNOKSA-N 2 1 347.503 1.830 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CCCO1 ZINC000664757000 453381560 /nfs/dbraw/zinc/38/15/60/453381560.db2.gz YUIJKMHNDYOQDC-HOTGVXAUSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCCO1 ZINC000664757000 453381572 /nfs/dbraw/zinc/38/15/72/453381572.db2.gz YUIJKMHNDYOQDC-HOTGVXAUSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCCO1 ZINC000664757000 453381581 /nfs/dbraw/zinc/38/15/81/453381581.db2.gz YUIJKMHNDYOQDC-HOTGVXAUSA-N 2 1 340.512 1.659 20 0 EDADMP CC(C)(CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000662679870 453399526 /nfs/dbraw/zinc/39/95/26/453399526.db2.gz QQYKJRZKMQVQMY-IAGOWNOFSA-N 2 1 331.460 1.303 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646478479 453425617 /nfs/dbraw/zinc/42/56/17/453425617.db2.gz FLCQNAPPYSJGQJ-KBAYOESNSA-N 2 1 331.460 1.438 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646478479 453425623 /nfs/dbraw/zinc/42/56/23/453425623.db2.gz FLCQNAPPYSJGQJ-KBAYOESNSA-N 2 1 331.460 1.438 20 0 EDADMP C[N@@H+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)[C@@H](Cc2ccccc2)C1 ZINC000653254738 453437606 /nfs/dbraw/zinc/43/76/06/453437606.db2.gz ZCHPIMXCIMJGEZ-IRXDYDNUSA-N 2 1 333.501 1.467 20 0 EDADMP C[N@H+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)[C@@H](Cc2ccccc2)C1 ZINC000653254738 453437613 /nfs/dbraw/zinc/43/76/13/453437613.db2.gz ZCHPIMXCIMJGEZ-IRXDYDNUSA-N 2 1 333.501 1.467 20 0 EDADMP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000662718328 453441571 /nfs/dbraw/zinc/44/15/71/453441571.db2.gz YPGCFAZLYCLOML-KOHRHEQBSA-N 2 1 331.435 1.906 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000667156051 453443820 /nfs/dbraw/zinc/44/38/20/453443820.db2.gz LRZBHCASEVAWSK-CYBMUJFWSA-N 2 1 332.448 1.116 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000664898063 453470145 /nfs/dbraw/zinc/47/01/45/453470145.db2.gz XXWQULHHBLFJNV-WMLDXEAASA-N 2 1 334.464 1.003 20 0 EDADMP C[C@H](NC(=O)[C@@H]1[NH2+]CCC1(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662744415 453472216 /nfs/dbraw/zinc/47/22/16/453472216.db2.gz GEROGYKYBFTFME-JQHSSLGASA-N 2 1 345.487 1.780 20 0 EDADMP C[C@H](NC(=O)[C@@H]1[NH2+]CCC1(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662744415 453472225 /nfs/dbraw/zinc/47/22/25/453472225.db2.gz GEROGYKYBFTFME-JQHSSLGASA-N 2 1 345.487 1.780 20 0 EDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)C2 ZINC000660656757 453492556 /nfs/dbraw/zinc/49/25/56/453492556.db2.gz NYCHTLLUAZQWAP-LJQANCHMSA-N 2 1 344.459 1.532 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C2 ZINC000660656757 453492560 /nfs/dbraw/zinc/49/25/60/453492560.db2.gz NYCHTLLUAZQWAP-LJQANCHMSA-N 2 1 344.459 1.532 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C2 ZINC000660656757 453492566 /nfs/dbraw/zinc/49/25/66/453492566.db2.gz NYCHTLLUAZQWAP-LJQANCHMSA-N 2 1 344.459 1.532 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662756538 453494153 /nfs/dbraw/zinc/49/41/53/453494153.db2.gz IQKQRFNELBETBB-INIZCTEOSA-N 2 1 344.503 1.336 20 0 EDADMP [NH3+]C1(CC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000662759414 453498622 /nfs/dbraw/zinc/49/86/22/453498622.db2.gz VYZLDPHEULLGFP-UHFFFAOYSA-N 2 1 330.476 1.192 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664935201 453499802 /nfs/dbraw/zinc/49/98/02/453499802.db2.gz FKCHHNXVBURHRS-DOTOQJQBSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664935201 453499808 /nfs/dbraw/zinc/49/98/08/453499808.db2.gz FKCHHNXVBURHRS-DOTOQJQBSA-N 2 1 340.512 1.347 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664935201 453499815 /nfs/dbraw/zinc/49/98/15/453499815.db2.gz FKCHHNXVBURHRS-DOTOQJQBSA-N 2 1 340.512 1.347 20 0 EDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662788630 453522380 /nfs/dbraw/zinc/52/23/80/453522380.db2.gz PJKCLXOQEKQJNU-UHFFFAOYSA-N 2 1 348.495 1.539 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662819358 453550523 /nfs/dbraw/zinc/55/05/23/453550523.db2.gz DDUWSUIOYNKOFG-BQBZGAKWSA-N 2 1 332.267 1.969 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662846557 453568089 /nfs/dbraw/zinc/56/80/89/453568089.db2.gz RKMQDCRCDSCCKT-YJBOKZPZSA-N 2 1 331.460 1.933 20 0 EDADMP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000659034352 453590291 /nfs/dbraw/zinc/59/02/91/453590291.db2.gz LYAWKQCTTGGVJH-ROUUACIJSA-N 2 1 344.459 1.953 20 0 EDADMP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N1CC[NH+](C2CC2)CC1 ZINC000659035838 453591504 /nfs/dbraw/zinc/59/15/04/453591504.db2.gz NPWDPXMNFVVPRF-KRWDZBQOSA-N 2 1 330.432 1.659 20 0 EDADMP CN(C(=O)c1ccccc1CC[NH3+])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901270 453595259 /nfs/dbraw/zinc/59/52/59/453595259.db2.gz VCDMRVMYVPTTCK-GOSISDBHSA-N 2 1 344.503 1.428 20 0 EDADMP CN(C(=O)c1ccccc1CC[NH3+])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901270 453595261 /nfs/dbraw/zinc/59/52/61/453595261.db2.gz VCDMRVMYVPTTCK-GOSISDBHSA-N 2 1 344.503 1.428 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660837087 453598215 /nfs/dbraw/zinc/59/82/15/453598215.db2.gz IFROJTYPNGUFDL-DOTOQJQBSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000665217626 453611209 /nfs/dbraw/zinc/61/12/09/453611209.db2.gz PISGHKOYNXHMQD-KRWDZBQOSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000665217626 453611211 /nfs/dbraw/zinc/61/12/11/453611211.db2.gz PISGHKOYNXHMQD-KRWDZBQOSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000665217626 453611212 /nfs/dbraw/zinc/61/12/12/453611212.db2.gz PISGHKOYNXHMQD-KRWDZBQOSA-N 2 1 340.512 1.205 20 0 EDADMP CC[C@H](NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000665285634 453635793 /nfs/dbraw/zinc/63/57/93/453635793.db2.gz SETBQRWUPHCIAN-AABGKKOBSA-N 2 1 330.520 1.923 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000665289776 453636691 /nfs/dbraw/zinc/63/66/91/453636691.db2.gz XBKANTXTTGHVOY-KSZLIROESA-N 3 1 336.524 1.439 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)CC1 ZINC000665289776 453636697 /nfs/dbraw/zinc/63/66/97/453636697.db2.gz XBKANTXTTGHVOY-KSZLIROESA-N 2 1 336.524 1.439 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000663003298 453643409 /nfs/dbraw/zinc/64/34/09/453643409.db2.gz LISKOHMVEKLLKM-UKRRQHHQSA-N 2 1 333.398 1.767 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC1C[NH+](C)C1 ZINC000661030782 453687048 /nfs/dbraw/zinc/68/70/48/453687048.db2.gz ZLKPIADAMUZRCB-QAPCUYQASA-N 2 1 330.476 1.710 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000665554069 453746126 /nfs/dbraw/zinc/74/61/26/453746126.db2.gz FGPNHITXQIMLOB-HNNXBMFYSA-N 2 1 340.512 1.611 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000665554069 453746128 /nfs/dbraw/zinc/74/61/28/453746128.db2.gz FGPNHITXQIMLOB-HNNXBMFYSA-N 2 1 340.512 1.611 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665554069 453746131 /nfs/dbraw/zinc/74/61/31/453746131.db2.gz FGPNHITXQIMLOB-HNNXBMFYSA-N 2 1 340.512 1.611 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665554069 453746132 /nfs/dbraw/zinc/74/61/32/453746132.db2.gz FGPNHITXQIMLOB-HNNXBMFYSA-N 2 1 340.512 1.611 20 0 EDADMP CCN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000663443324 453800183 /nfs/dbraw/zinc/80/01/83/453800183.db2.gz DBXANGFLFGJFPA-ZWKOTPCHSA-N 2 1 332.492 1.895 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000663493868 453810166 /nfs/dbraw/zinc/81/01/66/453810166.db2.gz MEDCPXOYHPWTBG-MRXNPFEDSA-N 2 1 347.434 1.239 20 0 EDADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000663499986 453810937 /nfs/dbraw/zinc/81/09/37/453810937.db2.gz HOKNDLFKNVIXKB-SJLPKXTDSA-N 2 1 330.476 1.394 20 0 EDADMP CC[NH+](CC)CC1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676308237 486730026 /nfs/dbraw/zinc/73/00/26/486730026.db2.gz DAJZRZCCFRXRPD-UHFFFAOYSA-N 2 1 333.480 1.871 20 0 EDADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676333675 486739133 /nfs/dbraw/zinc/73/91/33/486739133.db2.gz NIUFPWXOSCYQNS-CRAIPNDOSA-N 2 1 346.475 1.442 20 0 EDADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676333675 486739137 /nfs/dbraw/zinc/73/91/37/486739137.db2.gz NIUFPWXOSCYQNS-CRAIPNDOSA-N 2 1 346.475 1.442 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C(C)C ZINC000672913247 486838441 /nfs/dbraw/zinc/83/84/41/486838441.db2.gz PYRYAHLDQDDTDC-UHFFFAOYSA-N 2 1 342.528 1.593 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000680890539 486886467 /nfs/dbraw/zinc/88/64/67/486886467.db2.gz INYALSPIDKDDOU-KRWDZBQOSA-N 2 1 330.476 1.547 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)CCCO1 ZINC000667804528 486974167 /nfs/dbraw/zinc/97/41/67/486974167.db2.gz BGNDCPIQGNEQRV-CQSZACIVSA-N 2 1 347.463 1.350 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000684368789 487039546 /nfs/dbraw/zinc/03/95/46/487039546.db2.gz UGZUMTXLMFVXPP-CQSZACIVSA-N 2 1 333.436 1.016 20 0 EDADMP CC[C@@H](C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)[NH+](CC)CC ZINC000673650346 487076471 /nfs/dbraw/zinc/07/64/71/487076471.db2.gz NZOYWCMORHPYFC-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673669310 487084099 /nfs/dbraw/zinc/08/40/99/487084099.db2.gz HBCAYFSMKQATRS-JZXOWHBKSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673669310 487084103 /nfs/dbraw/zinc/08/41/03/487084103.db2.gz HBCAYFSMKQATRS-JZXOWHBKSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673669310 487084110 /nfs/dbraw/zinc/08/41/10/487084110.db2.gz HBCAYFSMKQATRS-JZXOWHBKSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673669310 487084114 /nfs/dbraw/zinc/08/41/14/487084114.db2.gz HBCAYFSMKQATRS-JZXOWHBKSA-N 2 1 336.524 1.486 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673669310 487084120 /nfs/dbraw/zinc/08/41/20/487084120.db2.gz HBCAYFSMKQATRS-JZXOWHBKSA-N 2 1 336.524 1.486 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000682613059 487397308 /nfs/dbraw/zinc/39/73/08/487397308.db2.gz FJPHVGSTRXGNFE-GOSISDBHSA-N 2 1 348.491 1.481 20 0 EDADMP Cc1ccc(CNC(=O)NCC[N@@H+](C)C2CC2)c(N2CCCC2)[nH+]1 ZINC000679695478 487458517 /nfs/dbraw/zinc/45/85/17/487458517.db2.gz IOCSLMPHNZQKMV-UHFFFAOYSA-N 2 1 331.464 1.884 20 0 EDADMP Cc1ccc(CNC(=O)NCC[N@H+](C)C2CC2)c(N2CCCC2)[nH+]1 ZINC000679695478 487458518 /nfs/dbraw/zinc/45/85/18/487458518.db2.gz IOCSLMPHNZQKMV-UHFFFAOYSA-N 2 1 331.464 1.884 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@H](C)O1 ZINC000668962997 485499402 /nfs/dbraw/zinc/49/94/02/485499402.db2.gz KLTMQBRPSAGRPV-XUWVNRHRSA-N 2 1 338.496 1.268 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@H](C)O1 ZINC000668962997 485499408 /nfs/dbraw/zinc/49/94/08/485499408.db2.gz KLTMQBRPSAGRPV-XUWVNRHRSA-N 2 1 338.496 1.268 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)C(C)C ZINC000668348536 485616349 /nfs/dbraw/zinc/61/63/49/485616349.db2.gz WLLZQMDTDAAUQF-OAHLLOKOSA-N 2 1 340.512 1.210 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)c1ccco1 ZINC000343296134 485930575 /nfs/dbraw/zinc/93/05/75/485930575.db2.gz MHMMDLUSFGONOA-RYRKJORJSA-N 2 1 349.475 1.745 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000679590845 486054517 /nfs/dbraw/zinc/05/45/17/486054517.db2.gz GRRDRXDGQLJXQX-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000669474136 486228156 /nfs/dbraw/zinc/22/81/56/486228156.db2.gz CRILREUXVAPCTG-KBAYOESNSA-N 2 1 330.476 1.900 20 0 EDADMP CCC[NH+]1CCC([NH2+]CCN(C)S(=O)(=O)c2cccs2)CC1 ZINC000183362099 528202317 /nfs/dbraw/zinc/20/23/17/528202317.db2.gz WNLWJGBPHMMLHY-UHFFFAOYSA-N 2 1 345.534 1.833 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000183942989 528543546 /nfs/dbraw/zinc/54/35/46/528543546.db2.gz YJBDSUCNMBBNBQ-SFHVURJKSA-N 2 1 333.476 1.472 20 0 EDADMP CC[NH+](CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000183942989 528543552 /nfs/dbraw/zinc/54/35/52/528543552.db2.gz YJBDSUCNMBBNBQ-SFHVURJKSA-N 2 1 333.476 1.472 20 0 EDADMP CC[NH+](CCO)CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000183942989 528543556 /nfs/dbraw/zinc/54/35/56/528543556.db2.gz YJBDSUCNMBBNBQ-SFHVURJKSA-N 2 1 333.476 1.472 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000245861781 535171511 /nfs/dbraw/zinc/17/15/11/535171511.db2.gz IUPXORIYAQKFHR-IXDOHACOSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000245861781 535171516 /nfs/dbraw/zinc/17/15/16/535171516.db2.gz IUPXORIYAQKFHR-IXDOHACOSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000245861781 535171523 /nfs/dbraw/zinc/17/15/23/535171523.db2.gz IUPXORIYAQKFHR-IXDOHACOSA-N 2 1 340.512 1.203 20 0 EDADMP CC[NH+](CC)CCNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000078311555 535532884 /nfs/dbraw/zinc/53/28/84/535532884.db2.gz XOZVFJYLCPBCTP-UHFFFAOYSA-N 2 1 332.492 1.898 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000340044762 535563944 /nfs/dbraw/zinc/56/39/44/535563944.db2.gz YCULOBUTICSMAY-HOTGVXAUSA-N 2 1 349.541 1.137 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C(C)C)c1 ZINC000345392989 535594152 /nfs/dbraw/zinc/59/41/52/535594152.db2.gz GAOIONMCRPFTGD-KRWDZBQOSA-N 2 1 335.496 1.952 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000353181394 535620603 /nfs/dbraw/zinc/62/06/03/535620603.db2.gz HMLJRDZNWKTTJD-SFHVURJKSA-N 2 1 346.475 1.315 20 0 EDADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(F)cn1 ZINC000352784373 535803529 /nfs/dbraw/zinc/80/35/29/535803529.db2.gz TVRARBGVZDDZIY-QGZVFWFLSA-N 2 1 338.471 1.652 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000333280062 535874147 /nfs/dbraw/zinc/87/41/47/535874147.db2.gz HLEOZYWEBVVNER-DJIMGWMZSA-N 2 1 343.475 1.988 20 0 EDADMP CC[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246243897 536159918 /nfs/dbraw/zinc/15/99/18/536159918.db2.gz JAVPGTREFFPWPJ-QYZOEREBSA-N 2 1 345.487 1.924 20 0 EDADMP CC[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246243897 536159923 /nfs/dbraw/zinc/15/99/23/536159923.db2.gz JAVPGTREFFPWPJ-QYZOEREBSA-N 2 1 345.487 1.924 20 0 EDADMP C[NH2+][C@@H](C)Cc1noc(-c2ccc(C[NH+]3CCN(C)CC3)cc2)n1 ZINC000261733093 536346047 /nfs/dbraw/zinc/34/60/47/536346047.db2.gz KKFFYGIBHYMRIE-AWEZNQCLSA-N 2 1 329.448 1.634 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000333809906 536374972 /nfs/dbraw/zinc/37/49/72/536374972.db2.gz JBNUWQBDRRRAHM-KRWDZBQOSA-N 2 1 326.485 1.128 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000333809906 536374973 /nfs/dbraw/zinc/37/49/73/536374973.db2.gz JBNUWQBDRRRAHM-KRWDZBQOSA-N 2 1 326.485 1.128 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000261677253 536406591 /nfs/dbraw/zinc/40/65/91/536406591.db2.gz GPOFWUUJOLGSHI-DOTOQJQBSA-N 2 1 344.459 1.530 20 0 EDADMP COC[C@@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000262401963 536656106 /nfs/dbraw/zinc/65/61/06/536656106.db2.gz ZTIQXTXWRJYLLG-QGZVFWFLSA-N 2 1 331.460 1.475 20 0 EDADMP COCC1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000261777943 536825224 /nfs/dbraw/zinc/82/52/24/536825224.db2.gz SDSPNVZJUBVKSP-SFHVURJKSA-N 2 1 345.487 1.783 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000727861969 578540090 /nfs/dbraw/zinc/54/00/90/578540090.db2.gz QPSWDXGUIYXHIV-QGZVFWFLSA-N 2 1 334.464 1.731 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC000729495753 578577515 /nfs/dbraw/zinc/57/75/15/578577515.db2.gz IJCUYSOKUIAGDC-HZPDHXFCSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@H+]1CC1(O)CCCCC1 ZINC000729930961 578602993 /nfs/dbraw/zinc/60/29/93/578602993.db2.gz SMSROMOIDMCGBZ-SJORKVTESA-N 2 1 325.497 1.018 20 0 EDADMP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CC1(O)CCCCC1 ZINC000729930961 578602997 /nfs/dbraw/zinc/60/29/97/578602997.db2.gz SMSROMOIDMCGBZ-SJORKVTESA-N 2 1 325.497 1.018 20 0 EDADMP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CC1(O)CCCCC1 ZINC000729930961 578602999 /nfs/dbraw/zinc/60/29/99/578602999.db2.gz SMSROMOIDMCGBZ-SJORKVTESA-N 2 1 325.497 1.018 20 0 EDADMP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CC1(O)CCCCC1 ZINC000729930961 578603000 /nfs/dbraw/zinc/60/30/00/578603000.db2.gz SMSROMOIDMCGBZ-SJORKVTESA-N 2 1 325.497 1.018 20 0 EDADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCCCCCC[NH+](C)C ZINC000732456362 578713615 /nfs/dbraw/zinc/71/36/15/578713615.db2.gz OVAJUASOROOTLY-MRXNPFEDSA-N 2 1 327.517 1.044 20 0 EDADMP C[C@H](CNC(=O)NCCN1CCO[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000732459552 578713632 /nfs/dbraw/zinc/71/36/32/578713632.db2.gz XAIYLKRZAVAOPS-IAGOWNOFSA-N 2 1 348.491 1.527 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCN2CCCC2)CC1 ZINC000760815475 580038766 /nfs/dbraw/zinc/03/87/66/580038766.db2.gz BGUPDANBUXEIOD-UHFFFAOYSA-N 2 1 338.540 1.642 20 0 EDADMP CC[NH+](CC)CC1CC[NH+](CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000738070094 579156818 /nfs/dbraw/zinc/15/68/18/579156818.db2.gz AXNOGMFYHIXICY-IAGOWNOFSA-N 2 1 333.476 1.949 20 0 EDADMP CC1CC[NH+](CCCNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000747765884 579657502 /nfs/dbraw/zinc/65/75/02/579657502.db2.gz NGBRDGRRICORAJ-UHFFFAOYSA-N 2 1 342.553 1.295 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC000750864167 579784653 /nfs/dbraw/zinc/78/46/53/579784653.db2.gz JEONWXLUUMJVRI-UHFFFAOYSA-N 2 1 345.487 1.798 20 0 EDADMP CC(C)[C@]1(C)NC(=O)N(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000755782106 579934916 /nfs/dbraw/zinc/93/49/16/579934916.db2.gz YBVPKUXELJQXKD-QAPCUYQASA-N 2 1 336.480 1.574 20 0 EDADMP CN(C)c1cc[nH+]c(NCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000770457588 580261134 /nfs/dbraw/zinc/26/11/34/580261134.db2.gz OVYMTBKIDCWZQN-UHFFFAOYSA-N 2 1 342.447 1.446 20 0 EDADMP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000770697712 580268164 /nfs/dbraw/zinc/26/81/64/580268164.db2.gz COWNBOLSYYGSFI-GOSISDBHSA-N 2 1 336.451 1.652 20 0 EDADMP Cn1cncc1[C@H]1CC(=O)N(C[N@H+]2CCOCC3(CCCC3)C2)C1 ZINC000774659709 580369188 /nfs/dbraw/zinc/36/91/88/580369188.db2.gz ULUNPRCFNLBCMG-HNNXBMFYSA-N 2 1 332.448 1.586 20 0 EDADMP Cn1cncc1[C@H]1CC(=O)N(C[N@@H+]2CCOCC3(CCCC3)C2)C1 ZINC000774659709 580369187 /nfs/dbraw/zinc/36/91/87/580369187.db2.gz ULUNPRCFNLBCMG-HNNXBMFYSA-N 2 1 332.448 1.586 20 0 EDADMP Cc1ccc(C)c(NC(=O)CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000779654064 580493294 /nfs/dbraw/zinc/49/32/94/580493294.db2.gz NIZODWHXFHTGDW-MRXNPFEDSA-N 2 1 348.447 1.850 20 0 EDADMP Cc1ccc(C)c(NC(=O)CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000779654064 580493295 /nfs/dbraw/zinc/49/32/95/580493295.db2.gz NIZODWHXFHTGDW-MRXNPFEDSA-N 2 1 348.447 1.850 20 0 EDADMP Cn1c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc2oc1=O ZINC000787771575 580704967 /nfs/dbraw/zinc/70/49/67/580704967.db2.gz AMGQLHRUXMVWHM-OAHLLOKOSA-N 2 1 345.443 1.722 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)NC(=O)NC3CCCC3)C2)CC1 ZINC000799178561 581021374 /nfs/dbraw/zinc/02/13/74/581021374.db2.gz UIDDFORZYOCEKD-UHFFFAOYSA-N 2 1 336.480 1.563 20 0 EDADMP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000891816303 590634434 /nfs/dbraw/zinc/63/44/34/590634434.db2.gz VKVZRKPGHHXCNU-WMZOPIPTSA-N 2 1 346.475 1.473 20 0 EDADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000893048626 590636124 /nfs/dbraw/zinc/63/61/24/590636124.db2.gz SQRMCGAZRABSEW-PMACEKPBSA-N 3 1 331.504 1.801 20 0 EDADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000893048626 590636129 /nfs/dbraw/zinc/63/61/29/590636129.db2.gz SQRMCGAZRABSEW-PMACEKPBSA-N 3 1 331.504 1.801 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2)CCC(F)(F)F ZINC000891857236 590658082 /nfs/dbraw/zinc/65/80/82/590658082.db2.gz SPCGRQVSDMTRIM-OCCSQVGLSA-N 2 1 336.402 1.845 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCCO1 ZINC000891857712 590659922 /nfs/dbraw/zinc/65/99/22/590659922.db2.gz DQFLCFHUSMNGQS-ZIAGYGMSSA-N 2 1 348.438 1.031 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)Cc2ccccc2C1 ZINC000893191993 590703875 /nfs/dbraw/zinc/70/38/75/590703875.db2.gz RSGQODPSJZMTEO-HDICACEKSA-N 2 1 342.487 1.289 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000892053161 590773567 /nfs/dbraw/zinc/77/35/67/590773567.db2.gz JKVXJEQWKRFRPJ-RYQLBKOJSA-N 2 1 330.476 1.887 20 0 EDADMP CCOC(=O)c1ncc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)s1 ZINC000893318146 590775899 /nfs/dbraw/zinc/77/58/99/590775899.db2.gz LAAXBASZGUWILE-UHFFFAOYSA-N 2 1 340.493 1.437 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC1=CC[NH2+]CC1 ZINC000892066112 590781233 /nfs/dbraw/zinc/78/12/33/590781233.db2.gz YOMQLCSHXVGJQF-QFBILLFUSA-N 2 1 342.487 1.973 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCSC1 ZINC000893413793 590855180 /nfs/dbraw/zinc/85/51/80/590855180.db2.gz XRZRSOTTYVSZSZ-IMJJTQAJSA-N 2 1 326.510 1.017 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)[NH+]1CCCCC1 ZINC000892204053 590863859 /nfs/dbraw/zinc/86/38/59/590863859.db2.gz HTNFEHLTHFKVJE-IXDOHACOSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000892211730 590865903 /nfs/dbraw/zinc/86/59/03/590865903.db2.gz MDBFWCDPNBGBQZ-WMZOPIPTSA-N 2 1 332.492 1.943 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232942 590877614 /nfs/dbraw/zinc/87/76/14/590877614.db2.gz QJPSBZBDSAZWQG-IGQOVBAYSA-N 2 1 348.438 1.028 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892232942 590877618 /nfs/dbraw/zinc/87/76/18/590877618.db2.gz QJPSBZBDSAZWQG-IGQOVBAYSA-N 2 1 348.438 1.028 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000892343425 590971459 /nfs/dbraw/zinc/97/14/59/590971459.db2.gz QGLNKZSEYDJSLI-IEBWSBKVSA-N 2 1 342.487 1.958 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000892401094 591012530 /nfs/dbraw/zinc/01/25/30/591012530.db2.gz YUZOEHWREAADIM-QZTJIDSGSA-N 2 1 332.492 1.930 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892592507 591084662 /nfs/dbraw/zinc/08/46/62/591084662.db2.gz AEIHZTFQNPYQRK-LVQVYYBASA-N 2 1 338.496 1.004 20 0 EDADMP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000891508533 591098689 /nfs/dbraw/zinc/09/86/89/591098689.db2.gz NNVAQMYRCZKFIG-KZNAEPCWSA-N 2 1 330.476 1.588 20 0 EDADMP COc1cccc([C@H](CNC(=O)NCC[N@H+]2CC[C@@H](C)C2)[NH+](C)C)c1 ZINC000891539041 591113614 /nfs/dbraw/zinc/11/36/14/591113614.db2.gz JGPGEHVDUCKMMB-QAPCUYQASA-N 2 1 348.491 1.939 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000891577873 591133289 /nfs/dbraw/zinc/13/32/89/591133289.db2.gz SVDRLIJRHAKLJR-WMLDXEAASA-N 2 1 326.485 1.114 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892780909 591173223 /nfs/dbraw/zinc/17/32/23/591173223.db2.gz WOXDHAYHMIOOKJ-INIZCTEOSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000891673339 591179796 /nfs/dbraw/zinc/17/97/96/591179796.db2.gz KNQJEZDJMOSDHA-QGPMSJSTSA-N 2 1 330.476 1.728 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891685936 591185587 /nfs/dbraw/zinc/18/55/87/591185587.db2.gz UISREHVRSROHBY-YVSFHVDLSA-N 2 1 336.480 1.166 20 0 EDADMP Cc1[nH+]ccc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1Br ZINC000894074820 591186729 /nfs/dbraw/zinc/18/67/29/591186729.db2.gz AATFPNIGZYSBPS-TXEJJXNPSA-N 2 1 326.238 1.850 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000891727264 591200772 /nfs/dbraw/zinc/20/07/72/591200772.db2.gz FYRBCKXWPJYIHH-OAGGEKHMSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000891727264 591200774 /nfs/dbraw/zinc/20/07/74/591200774.db2.gz FYRBCKXWPJYIHH-OAGGEKHMSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000891727264 591200777 /nfs/dbraw/zinc/20/07/77/591200777.db2.gz FYRBCKXWPJYIHH-OAGGEKHMSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC000891740209 591205742 /nfs/dbraw/zinc/20/57/42/591205742.db2.gz RHUWUDUGISDUFW-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC000891740209 591205744 /nfs/dbraw/zinc/20/57/44/591205744.db2.gz RHUWUDUGISDUFW-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000891758657 591213183 /nfs/dbraw/zinc/21/31/83/591213183.db2.gz KTXPQVSJRQOENB-DZJNRPSUSA-N 2 1 330.476 1.934 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000892925980 591227200 /nfs/dbraw/zinc/22/72/00/591227200.db2.gz NHJLCUAFZQOJKJ-AWEZNQCLSA-N 2 1 326.485 1.087 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cc(N)cc[nH+]1 ZINC000891800920 591228410 /nfs/dbraw/zinc/22/84/10/591228410.db2.gz WZWBONCSSHHFTO-RDTXWAMCSA-N 2 1 339.443 1.984 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000892944363 591234526 /nfs/dbraw/zinc/23/45/26/591234526.db2.gz PLAFIMRYONNGIZ-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000892944363 591234527 /nfs/dbraw/zinc/23/45/27/591234527.db2.gz PLAFIMRYONNGIZ-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000892944363 591234528 /nfs/dbraw/zinc/23/45/28/591234528.db2.gz PLAFIMRYONNGIZ-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCCC[C@@H]1O ZINC000895666565 591246906 /nfs/dbraw/zinc/24/69/06/591246906.db2.gz NVCDIPHWALHPMX-ULQDDVLXSA-N 2 1 342.528 1.499 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCCC[C@@H]1O ZINC000895666565 591246907 /nfs/dbraw/zinc/24/69/07/591246907.db2.gz NVCDIPHWALHPMX-ULQDDVLXSA-N 2 1 342.528 1.499 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000894516169 591330537 /nfs/dbraw/zinc/33/05/37/591330537.db2.gz GSPJNLFVOJENBF-GBESFXJTSA-N 2 1 342.487 1.712 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000894516169 591330541 /nfs/dbraw/zinc/33/05/41/591330541.db2.gz GSPJNLFVOJENBF-GBESFXJTSA-N 2 1 342.487 1.712 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000894516169 591330543 /nfs/dbraw/zinc/33/05/43/591330543.db2.gz GSPJNLFVOJENBF-GBESFXJTSA-N 2 1 342.487 1.712 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CC[N@H+]3C(C)(C)C)CC2)c1 ZINC000896177969 591373054 /nfs/dbraw/zinc/37/30/54/591373054.db2.gz HGFHRNHCUJZVLC-HNNXBMFYSA-N 2 1 332.448 1.612 20 0 EDADMP CC(C)(C)OC(=O)NOCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000897425806 591383096 /nfs/dbraw/zinc/38/30/96/591383096.db2.gz FGOMDNFMDLHLHD-HNNXBMFYSA-N 2 1 343.468 1.676 20 0 EDADMP C[C@H]1CN(C(=O)NCC[NH+]2CCC(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000898592355 591426488 /nfs/dbraw/zinc/42/64/88/591426488.db2.gz MBWHZRAVDSZNKC-HNNXBMFYSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]1CN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000898592355 591426491 /nfs/dbraw/zinc/42/64/91/591426491.db2.gz MBWHZRAVDSZNKC-HNNXBMFYSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]1CN(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000898592355 591426496 /nfs/dbraw/zinc/42/64/96/591426496.db2.gz MBWHZRAVDSZNKC-HNNXBMFYSA-N 2 1 340.512 1.205 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CC[C@H](C4CC4)O3)cn2)CC1 ZINC000897511065 591511995 /nfs/dbraw/zinc/51/19/95/591511995.db2.gz FPJGUGYFXMGGMV-IAGOWNOFSA-N 2 1 331.464 1.276 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000897518053 591519277 /nfs/dbraw/zinc/51/92/77/591519277.db2.gz BTZREKJVUZHVIZ-HOTGVXAUSA-N 2 1 331.464 1.786 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000897518147 591519881 /nfs/dbraw/zinc/51/98/81/591519881.db2.gz DDSGKPMRLDIRCZ-HNNXBMFYSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+]1CCC2(CCN2C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000896608668 591551008 /nfs/dbraw/zinc/55/10/08/591551008.db2.gz HZLJPDLLDWRGFE-CABCVRRESA-N 2 1 338.521 1.446 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000896607942 591551021 /nfs/dbraw/zinc/55/10/21/591551021.db2.gz BLKXULIQFHJWCG-XHSDSOJGSA-N 2 1 342.553 1.842 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897739955 591658396 /nfs/dbraw/zinc/65/83/96/591658396.db2.gz UUHCRUINZGEOJD-CPUCHLNUSA-N 2 1 331.464 1.875 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000897739955 591658400 /nfs/dbraw/zinc/65/84/00/591658400.db2.gz UUHCRUINZGEOJD-CPUCHLNUSA-N 2 1 331.464 1.875 20 0 EDADMP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000895250708 591680925 /nfs/dbraw/zinc/68/09/25/591680925.db2.gz NXIWMHSYULSTEA-XCDZQEORSA-N 2 1 344.455 1.960 20 0 EDADMP C[C@H](Cc1cccnc1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000897969039 591739057 /nfs/dbraw/zinc/73/90/57/591739057.db2.gz CHAGWEXFXSVSKZ-OAHLLOKOSA-N 2 1 326.448 1.344 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000895463706 591767104 /nfs/dbraw/zinc/76/71/04/591767104.db2.gz BAMFASIJGOAGTP-MSOLQXFVSA-N 2 1 345.487 1.876 20 0 EDADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)n[nH]1 ZINC000898105678 591799775 /nfs/dbraw/zinc/79/97/75/591799775.db2.gz LGWBPMIMYUERIM-MRXNPFEDSA-N 2 1 347.463 1.113 20 0 EDADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)n[nH]1 ZINC000898105678 591799779 /nfs/dbraw/zinc/79/97/79/591799779.db2.gz LGWBPMIMYUERIM-MRXNPFEDSA-N 2 1 347.463 1.113 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000900020246 591870244 /nfs/dbraw/zinc/87/02/44/591870244.db2.gz BDHRLUUSFPHVIW-HKUYNNGSSA-N 2 1 331.460 1.224 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000900020246 591870248 /nfs/dbraw/zinc/87/02/48/591870248.db2.gz BDHRLUUSFPHVIW-HKUYNNGSSA-N 2 1 331.460 1.224 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000900020246 591870251 /nfs/dbraw/zinc/87/02/51/591870251.db2.gz BDHRLUUSFPHVIW-HKUYNNGSSA-N 2 1 331.460 1.224 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000900023490 591871266 /nfs/dbraw/zinc/87/12/66/591871266.db2.gz MFVNPEMZNKZDBA-QZTJIDSGSA-N 2 1 334.508 1.243 20 0 EDADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1 ZINC000898366976 591892383 /nfs/dbraw/zinc/89/23/83/591892383.db2.gz JIKJFBCVXDYCBA-GFCCVEGCSA-N 2 1 325.844 1.488 20 0 EDADMP COCC[C@H]1CCN(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1=O ZINC000902141165 591926908 /nfs/dbraw/zinc/92/69/08/591926908.db2.gz UPEKYXYSLLCPAU-QGZVFWFLSA-N 2 1 325.497 1.881 20 0 EDADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C12CC[NH+](CC1)C2 ZINC000900157023 591929561 /nfs/dbraw/zinc/92/95/61/591929561.db2.gz HQLGHQPUWDGJMM-UHFFFAOYSA-N 2 1 328.460 1.021 20 0 EDADMP COc1c[nH]c(CO)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=O ZINC000902201691 591944622 /nfs/dbraw/zinc/94/46/22/591944622.db2.gz OXCOUKKSNATFEV-AWEZNQCLSA-N 2 1 335.448 1.040 20 0 EDADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)cc1 ZINC000900228513 591956587 /nfs/dbraw/zinc/95/65/87/591956587.db2.gz NFKNUMWBLVCNRK-VQIMIIECSA-N 2 1 349.475 1.801 20 0 EDADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)cc1 ZINC000900228513 591956589 /nfs/dbraw/zinc/95/65/89/591956589.db2.gz NFKNUMWBLVCNRK-VQIMIIECSA-N 2 1 349.475 1.801 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000900272479 591975217 /nfs/dbraw/zinc/97/52/17/591975217.db2.gz NMAPRNDGTLGQJH-CVEARBPZSA-N 2 1 339.480 1.110 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000900272479 591975219 /nfs/dbraw/zinc/97/52/19/591975219.db2.gz NMAPRNDGTLGQJH-CVEARBPZSA-N 2 1 339.480 1.110 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900299782 591980044 /nfs/dbraw/zinc/98/00/44/591980044.db2.gz JWCDWFJJVSGMJE-HKUYNNGSSA-N 2 1 333.476 1.122 20 0 EDADMP O=C1O[C@H](CNc2cc(NCC3CC3)[nH+]cn2)CC12CC[NH2+]CC2 ZINC000900359564 591994558 /nfs/dbraw/zinc/99/45/58/591994558.db2.gz CZPUHPAVBAPDRQ-ZDUSSCGKSA-N 2 1 331.420 1.396 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C34CC[NH+](CC3)C4)c2)CCO1 ZINC000900369539 591998925 /nfs/dbraw/zinc/99/89/25/591998925.db2.gz SMJLIFGYOFSAIS-INIZCTEOSA-N 2 1 343.471 1.619 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C34CC[NH+](CC3)C4)c2)CCO1 ZINC000900369539 591998927 /nfs/dbraw/zinc/99/89/27/591998927.db2.gz SMJLIFGYOFSAIS-INIZCTEOSA-N 2 1 343.471 1.619 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000900429731 592016195 /nfs/dbraw/zinc/01/61/95/592016195.db2.gz OHEAZJAYGYKQBN-UHFFFAOYSA-N 2 1 338.540 1.735 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000900429731 592016198 /nfs/dbraw/zinc/01/61/98/592016198.db2.gz OHEAZJAYGYKQBN-UHFFFAOYSA-N 2 1 338.540 1.735 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000900429731 592016201 /nfs/dbraw/zinc/01/62/01/592016201.db2.gz OHEAZJAYGYKQBN-UHFFFAOYSA-N 2 1 338.540 1.735 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000900439841 592019313 /nfs/dbraw/zinc/01/93/13/592019313.db2.gz SJOZRMBIWDXGCK-RTBURBONSA-N 2 1 349.519 1.964 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)nc1NC ZINC000900480117 592029972 /nfs/dbraw/zinc/02/99/72/592029972.db2.gz BVRKCXMGSQRTPY-INIZCTEOSA-N 2 1 347.507 1.920 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC[NH+](C)[C@H](C)CC)C1 ZINC000900524217 592036626 /nfs/dbraw/zinc/03/66/26/592036626.db2.gz XGDDEBXNBRXXJH-CABCVRRESA-N 2 1 327.469 1.108 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC[NH+](C)[C@H](C)CC)C1 ZINC000900524217 592036629 /nfs/dbraw/zinc/03/66/29/592036629.db2.gz XGDDEBXNBRXXJH-CABCVRRESA-N 2 1 327.469 1.108 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCC[N@H+](C)[C@H](C)CC)C1 ZINC000900524217 592036632 /nfs/dbraw/zinc/03/66/32/592036632.db2.gz XGDDEBXNBRXXJH-CABCVRRESA-N 2 1 327.469 1.108 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCC[N@@H+](C)[C@H](C)CC)C1 ZINC000900524217 592036634 /nfs/dbraw/zinc/03/66/34/592036634.db2.gz XGDDEBXNBRXXJH-CABCVRRESA-N 2 1 327.469 1.108 20 0 EDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC2)C1 ZINC000900725950 592106207 /nfs/dbraw/zinc/10/62/07/592106207.db2.gz PVFBMJFHGAPNLQ-SQNIBIBYSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)C1 ZINC000900725950 592106208 /nfs/dbraw/zinc/10/62/08/592106208.db2.gz PVFBMJFHGAPNLQ-SQNIBIBYSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000900725950 592106209 /nfs/dbraw/zinc/10/62/09/592106209.db2.gz PVFBMJFHGAPNLQ-SQNIBIBYSA-N 2 1 334.508 1.242 20 0 EDADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903148240 592128908 /nfs/dbraw/zinc/12/89/08/592128908.db2.gz RPOZMWDYUNWLDF-XUVXKRRUSA-N 2 1 346.471 1.681 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)[C@@H](C)C1 ZINC000900825008 592138349 /nfs/dbraw/zinc/13/83/49/592138349.db2.gz QSQKMTBSEXJIRW-JQFCIGGWSA-N 2 1 333.480 1.979 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)[C@@H](C)C1 ZINC000900825008 592138353 /nfs/dbraw/zinc/13/83/53/592138353.db2.gz QSQKMTBSEXJIRW-JQFCIGGWSA-N 2 1 333.480 1.979 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)[C@@H](C)C1 ZINC000900825008 592138356 /nfs/dbraw/zinc/13/83/56/592138356.db2.gz QSQKMTBSEXJIRW-JQFCIGGWSA-N 2 1 333.480 1.979 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)[C@@H](C)C1 ZINC000900825008 592138359 /nfs/dbraw/zinc/13/83/59/592138359.db2.gz QSQKMTBSEXJIRW-JQFCIGGWSA-N 2 1 333.480 1.979 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)[C@@H](C)C1 ZINC000900825008 592138362 /nfs/dbraw/zinc/13/83/62/592138362.db2.gz QSQKMTBSEXJIRW-JQFCIGGWSA-N 2 1 333.480 1.979 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)[C@@H](C)C1 ZINC000900825008 592138364 /nfs/dbraw/zinc/13/83/64/592138364.db2.gz QSQKMTBSEXJIRW-JQFCIGGWSA-N 2 1 333.480 1.979 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)[C@@H](C)C1 ZINC000900825008 592138366 /nfs/dbraw/zinc/13/83/66/592138366.db2.gz QSQKMTBSEXJIRW-JQFCIGGWSA-N 2 1 333.480 1.979 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)C2CCC([NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000900825428 592138456 /nfs/dbraw/zinc/13/84/56/592138456.db2.gz VAFUIAXTWQTYFF-CPFNUKBASA-N 2 1 337.508 1.819 20 0 EDADMP C[NH+](C)C1(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)Cc2ccccc2C1 ZINC000900825691 592138752 /nfs/dbraw/zinc/13/87/52/592138752.db2.gz ACPAUMSESPBHEO-HXUWFJFHSA-N 2 1 345.487 1.049 20 0 EDADMP CC[NH+](CC)C[C@H]1CCN(C(=O)CC[NH+]2CCN(C(C)C)CC2)C1 ZINC000900885825 592156786 /nfs/dbraw/zinc/15/67/86/592156786.db2.gz MKCIHMKGAJHONK-GOSISDBHSA-N 2 1 338.540 1.593 20 0 EDADMP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)NC(=O)Nc1ccccc1 ZINC000903483085 592177035 /nfs/dbraw/zinc/17/70/35/592177035.db2.gz DBPDTGXZNOKFLS-OAHLLOKOSA-N 2 1 330.432 1.989 20 0 EDADMP C/C=C\[C@@H](O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000900973161 592182226 /nfs/dbraw/zinc/18/22/26/592182226.db2.gz GLNYKJNUJNRFKH-PYTPGESOSA-N 2 1 337.508 1.578 20 0 EDADMP COCCOc1ccc(CNC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903497038 592188332 /nfs/dbraw/zinc/18/83/32/592188332.db2.gz NZCOZTZVUVTZKJ-NVXWUHKLSA-N 2 1 349.475 1.245 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906647749 592232651 /nfs/dbraw/zinc/23/26/51/592232651.db2.gz ATJIAYHZAUEEQI-AWEZNQCLSA-N 2 1 346.475 1.665 20 0 EDADMP CCc1ccc([C@H]2CN(C(=O)C[C@@]3(O)CCC[N@H+](C)C3)CC[NH2+]2)cc1 ZINC000908011298 592262196 /nfs/dbraw/zinc/26/21/96/592262196.db2.gz AQBLCCQEUIICMU-QUCCMNQESA-N 2 1 345.487 1.569 20 0 EDADMP CCc1ccc([C@H]2CN(C(=O)C[C@@]3(O)CCC[N@@H+](C)C3)CC[NH2+]2)cc1 ZINC000908011298 592262200 /nfs/dbraw/zinc/26/22/00/592262200.db2.gz AQBLCCQEUIICMU-QUCCMNQESA-N 2 1 345.487 1.569 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000901157062 592266242 /nfs/dbraw/zinc/26/62/42/592266242.db2.gz KHXJFNOBRQDFLR-AYBZRNKSSA-N 2 1 335.492 1.309 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000901157062 592266244 /nfs/dbraw/zinc/26/62/44/592266244.db2.gz KHXJFNOBRQDFLR-AYBZRNKSSA-N 2 1 335.492 1.309 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000901157062 592266247 /nfs/dbraw/zinc/26/62/47/592266247.db2.gz KHXJFNOBRQDFLR-AYBZRNKSSA-N 2 1 335.492 1.309 20 0 EDADMP [NH3+]C[C@H]1C[C@H](NC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000904537096 592282412 /nfs/dbraw/zinc/28/24/12/592282412.db2.gz CONQGVLUSRGOGP-QGPMSJSTSA-N 2 1 343.475 1.830 20 0 EDADMP O=C(c1ccccc1)N1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723052 592283473 /nfs/dbraw/zinc/28/34/73/592283473.db2.gz SPGVLPMZHIIACB-QUCCMNQESA-N 2 1 343.471 1.603 20 0 EDADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725501 592285252 /nfs/dbraw/zinc/28/52/52/592285252.db2.gz BTCDLQOTKJUQHQ-DLBZAZTESA-N 2 1 337.508 1.773 20 0 EDADMP CCOC(=O)[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000903751218 592295268 /nfs/dbraw/zinc/29/52/68/592295268.db2.gz GCAFEVDMRZICRV-RBUKOAKNSA-N 2 1 345.487 1.530 20 0 EDADMP CCOC(=O)[C@@H](CCc1ccccc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000903751218 592295270 /nfs/dbraw/zinc/29/52/70/592295270.db2.gz GCAFEVDMRZICRV-RBUKOAKNSA-N 2 1 345.487 1.530 20 0 EDADMP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H](C)O1 ZINC000903736798 592298784 /nfs/dbraw/zinc/29/87/84/592298784.db2.gz NAQZPYNKIYDIMQ-XCDZQEORSA-N 2 1 337.508 1.329 20 0 EDADMP C[C@@H]1[NH2+]CCn2c(-c3nc([C@H]4C[N@H+]5CCC[C@H]5CO4)no3)ccc21 ZINC000904638225 592300300 /nfs/dbraw/zinc/30/03/00/592300300.db2.gz NVYXVNCBQUJWAD-SLEUVZQESA-N 2 1 329.404 1.738 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1C[NH3+] ZINC000904637704 592300704 /nfs/dbraw/zinc/30/07/04/592300704.db2.gz VHGIRKRNPBJRRL-AWEZNQCLSA-N 2 1 332.448 1.862 20 0 EDADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000903740601 592303303 /nfs/dbraw/zinc/30/33/03/592303303.db2.gz XSQRRRBVWLEQBQ-MPGHIAIKSA-N 2 1 331.464 1.172 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCN(Cc3cccs3)CC1)C2 ZINC000903843577 592342937 /nfs/dbraw/zinc/34/29/37/592342937.db2.gz NLGCSPZQVDGINU-JYJNAYRXSA-N 2 1 348.516 1.204 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCN(Cc3cccs3)CC1)C2 ZINC000903843577 592342942 /nfs/dbraw/zinc/34/29/42/592342942.db2.gz NLGCSPZQVDGINU-JYJNAYRXSA-N 2 1 348.516 1.204 20 0 EDADMP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903888590 592351103 /nfs/dbraw/zinc/35/11/03/592351103.db2.gz GPHKTYRTXJTMCN-WYQXTGKHSA-N 2 1 337.489 1.857 20 0 EDADMP COC(=O)C1([N@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCCCC1 ZINC000903891836 592352407 /nfs/dbraw/zinc/35/24/07/592352407.db2.gz DRYIDUPLHLIZFF-OAHLLOKOSA-N 2 1 336.480 1.654 20 0 EDADMP COC(=O)C1([N@@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCCCC1 ZINC000903891836 592352411 /nfs/dbraw/zinc/35/24/11/592352411.db2.gz DRYIDUPLHLIZFF-OAHLLOKOSA-N 2 1 336.480 1.654 20 0 EDADMP Cc1cnn([C@@H]2CCC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000903892014 592353586 /nfs/dbraw/zinc/35/35/86/592353586.db2.gz FRMGAQUMUQMDEO-HZPDHXFCSA-N 2 1 329.452 1.545 20 0 EDADMP Cc1cnn([C@@H]2CCC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000903892014 592353590 /nfs/dbraw/zinc/35/35/90/592353590.db2.gz FRMGAQUMUQMDEO-HZPDHXFCSA-N 2 1 329.452 1.545 20 0 EDADMP [NH3+][C@@H](CC(F)F)CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000903893814 592366110 /nfs/dbraw/zinc/36/61/10/592366110.db2.gz ZOPAMPOSDJGISF-LSDHHAIUSA-N 2 1 343.418 1.026 20 0 EDADMP Cc1nnc([C@H]2CCC[N@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)[nH]1 ZINC000903898367 592369764 /nfs/dbraw/zinc/36/97/64/592369764.db2.gz KHXPWSCGXDFICI-CABCVRRESA-N 2 1 331.468 1.152 20 0 EDADMP Cc1n[nH]c([C@H]2CCC[N@@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903898367 592369771 /nfs/dbraw/zinc/36/97/71/592369771.db2.gz KHXPWSCGXDFICI-CABCVRRESA-N 2 1 331.468 1.152 20 0 EDADMP Cc1n[nH]c([C@H]2CCC[N@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903898367 592369774 /nfs/dbraw/zinc/36/97/74/592369774.db2.gz KHXPWSCGXDFICI-CABCVRRESA-N 2 1 331.468 1.152 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000903909288 592373510 /nfs/dbraw/zinc/37/35/10/592373510.db2.gz DKPVJWLSTXPCCO-UWJYYQICSA-N 3 1 342.531 1.790 20 0 EDADMP CC(C)CN1C[C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000903917401 592389278 /nfs/dbraw/zinc/38/92/78/592389278.db2.gz LQNLQEWYVUXQLT-GOSISDBHSA-N 2 1 342.487 1.910 20 0 EDADMP CC(C)CN1C[C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000903917401 592389284 /nfs/dbraw/zinc/38/92/84/592389284.db2.gz LQNLQEWYVUXQLT-GOSISDBHSA-N 2 1 342.487 1.910 20 0 EDADMP CCn1nc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)c2ccccc21 ZINC000903976813 592398290 /nfs/dbraw/zinc/39/82/90/592398290.db2.gz BQHOTYBHDBGNGV-KSMMKXTCSA-N 2 1 342.443 1.769 20 0 EDADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC000905072935 592402263 /nfs/dbraw/zinc/40/22/63/592402263.db2.gz UAZGYFDCHQHELL-SLFFLAALSA-N 2 1 348.487 1.391 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C[C@H](O)c1ccccc1 ZINC000905109888 592410733 /nfs/dbraw/zinc/41/07/33/592410733.db2.gz JOLXBLVVEQEKMQ-ZCNNSNEGSA-N 2 1 348.487 1.704 20 0 EDADMP COc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000905149360 592439364 /nfs/dbraw/zinc/43/93/64/592439364.db2.gz QPDQEFXBGURVQR-AEFFLSMTSA-N 2 1 346.475 1.835 20 0 EDADMP C[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CC[N@H+](C2CCC2)C1 ZINC000908359215 592464663 /nfs/dbraw/zinc/46/46/63/592464663.db2.gz SFMVTFOQVHLYMC-OAHLLOKOSA-N 2 1 335.492 1.430 20 0 EDADMP C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC2(CO)CCCC2)[C@@H]1c1cccnc1 ZINC000905284310 592492307 /nfs/dbraw/zinc/49/23/07/592492307.db2.gz AYCLBOGSGYQHLI-FHWLQOOXSA-N 2 1 347.503 1.968 20 0 EDADMP C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC2(CO)CCCC2)[C@@H]1c1cccnc1 ZINC000905284310 592492308 /nfs/dbraw/zinc/49/23/08/592492308.db2.gz AYCLBOGSGYQHLI-FHWLQOOXSA-N 2 1 347.503 1.968 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000905355335 592505006 /nfs/dbraw/zinc/50/50/06/592505006.db2.gz CKKOXQGVGUJASX-AWEZNQCLSA-N 2 1 329.510 1.120 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)CC2CC[NH2+]CC2)c1 ZINC000905333434 592509002 /nfs/dbraw/zinc/50/90/02/592509002.db2.gz DLVYBRZHEYWQSG-UHFFFAOYSA-N 2 1 339.505 1.557 20 0 EDADMP C[C@@](O)(C[NH2+]C[C@H](O)C[NH+]1CCCCC1)C(F)(F)C(F)(F)F ZINC000905341478 592512143 /nfs/dbraw/zinc/51/21/43/592512143.db2.gz OSQQBOAZEZOGKJ-WDEREUQCSA-N 2 1 334.329 1.371 20 0 EDADMP C[N@@H+](CC(=O)N1CC[NH+](C)C2(CCCCC2)C1)[C@@H]1CCSC1 ZINC000908573069 592544233 /nfs/dbraw/zinc/54/42/33/592544233.db2.gz MRJIHTWRBDVSNH-OAHLLOKOSA-N 2 1 325.522 1.901 20 0 EDADMP C[NH+](CC(=O)N1CC[N@H+](C)C2(CCCCC2)C1)[C@@H]1CCSC1 ZINC000908573069 592544237 /nfs/dbraw/zinc/54/42/37/592544237.db2.gz MRJIHTWRBDVSNH-OAHLLOKOSA-N 2 1 325.522 1.901 20 0 EDADMP C[NH+](CC(=O)N1CC[N@@H+](C)C2(CCCCC2)C1)[C@@H]1CCSC1 ZINC000908573069 592544240 /nfs/dbraw/zinc/54/42/40/592544240.db2.gz MRJIHTWRBDVSNH-OAHLLOKOSA-N 2 1 325.522 1.901 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)COCC(C)C)C2)[C@H]1C(C)C ZINC000905503693 592546785 /nfs/dbraw/zinc/54/67/85/592546785.db2.gz SHQZUTKLPOATLW-VHPHOLNESA-N 2 1 342.524 1.479 20 0 EDADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000905508425 592547857 /nfs/dbraw/zinc/54/78/57/592547857.db2.gz IJKKZWJMRLRNTB-FMKPAKJESA-N 2 1 341.496 1.534 20 0 EDADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000905508425 592547860 /nfs/dbraw/zinc/54/78/60/592547860.db2.gz IJKKZWJMRLRNTB-FMKPAKJESA-N 2 1 341.496 1.534 20 0 EDADMP CCOC(=O)[C@H]1CCCN(CC(=O)NCC[N@@H+]2CC=C(C)CC2)C1 ZINC000907385300 592620652 /nfs/dbraw/zinc/62/06/52/592620652.db2.gz GNTXHDHRXJUNRC-INIZCTEOSA-N 2 1 337.464 1.030 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000907615063 592741113 /nfs/dbraw/zinc/74/11/13/592741113.db2.gz QCTRXXHDLGODRQ-HNNXBMFYSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000907615063 592741116 /nfs/dbraw/zinc/74/11/16/592741116.db2.gz QCTRXXHDLGODRQ-HNNXBMFYSA-N 2 1 339.480 1.204 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(Cc2cn(CCC(C)=O)nn2)C1 ZINC000906262456 592776459 /nfs/dbraw/zinc/77/64/59/592776459.db2.gz GJRWSMLLZQKYAP-INIZCTEOSA-N 2 1 330.436 1.853 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(Cc2cn(Cc3ncon3)nn2)C1 ZINC000906262081 592776660 /nfs/dbraw/zinc/77/66/60/592776660.db2.gz AQHKSNGORKWFGK-AWEZNQCLSA-N 2 1 342.407 1.305 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906382800 592813890 /nfs/dbraw/zinc/81/38/90/592813890.db2.gz UFSRTBCUPBWZID-APWZRJJASA-N 2 1 344.503 1.432 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906382800 592813894 /nfs/dbraw/zinc/81/38/94/592813894.db2.gz UFSRTBCUPBWZID-APWZRJJASA-N 2 1 344.503 1.432 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906382800 592813897 /nfs/dbraw/zinc/81/38/97/592813897.db2.gz UFSRTBCUPBWZID-APWZRJJASA-N 2 1 344.503 1.432 20 0 EDADMP C[N@@H+](CCNC(=O)C(=O)Nc1ccccc1C[NH3+])Cc1ccccc1 ZINC000906645850 592865858 /nfs/dbraw/zinc/86/58/58/592865858.db2.gz LTLSBCKZRRAMFR-UHFFFAOYSA-N 2 1 340.427 1.332 20 0 EDADMP CCN(C(=O)CCCN1CC[NH+](C(C)C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000912400193 593093082 /nfs/dbraw/zinc/09/30/82/593093082.db2.gz IYQFTXPDGUBPQQ-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP CCN(C(=O)CCC[NH+]1CCN(C(C)C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000912400193 593093083 /nfs/dbraw/zinc/09/30/83/593093083.db2.gz IYQFTXPDGUBPQQ-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP CCN(C(=O)CCC[NH+]1CCN(C(C)C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000912400193 593093084 /nfs/dbraw/zinc/09/30/84/593093084.db2.gz IYQFTXPDGUBPQQ-SFHVURJKSA-N 2 1 338.540 1.735 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1[NH+](C)C ZINC000810755596 593427509 /nfs/dbraw/zinc/42/75/09/593427509.db2.gz XNUGKNKKDOFHGH-ZENOOKHLSA-N 2 1 331.501 1.703 20 0 EDADMP C[NH+](C)CCCCCCCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000806542787 593457114 /nfs/dbraw/zinc/45/71/14/593457114.db2.gz YLCLUVALZWWICI-UHFFFAOYSA-N 2 1 342.528 1.597 20 0 EDADMP O=C(CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cc(F)cc(F)c1 ZINC000818987188 593732484 /nfs/dbraw/zinc/73/24/84/593732484.db2.gz UKFNSEWQUNLQPQ-CVEARBPZSA-N 2 1 339.386 1.746 20 0 EDADMP O=C(CC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1cc(F)cc(F)c1 ZINC000818987188 593732485 /nfs/dbraw/zinc/73/24/85/593732485.db2.gz UKFNSEWQUNLQPQ-CVEARBPZSA-N 2 1 339.386 1.746 20 0 EDADMP CN(C)c1ccc(N2CCC([NH2+]C[C@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000819108382 593739277 /nfs/dbraw/zinc/73/92/77/593739277.db2.gz COZRQIXYAVOCGU-FQEVSTJZSA-N 2 1 346.519 1.766 20 0 EDADMP CN(C)c1ccc(N2CCC([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000819108382 593739278 /nfs/dbraw/zinc/73/92/78/593739278.db2.gz COZRQIXYAVOCGU-FQEVSTJZSA-N 2 1 346.519 1.766 20 0 EDADMP O[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cn1 ZINC000819219254 593744841 /nfs/dbraw/zinc/74/48/41/593744841.db2.gz ORCSJTQGIFDNAZ-IEBWSBKVSA-N 2 1 345.418 1.611 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000819246807 593746483 /nfs/dbraw/zinc/74/64/83/593746483.db2.gz RCKIOSZZIYNRIK-HOCLYGCPSA-N 2 1 341.496 1.821 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000819246807 593746484 /nfs/dbraw/zinc/74/64/84/593746484.db2.gz RCKIOSZZIYNRIK-HOCLYGCPSA-N 2 1 341.496 1.821 20 0 EDADMP C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)[C@H]1CCSC1 ZINC000820085195 593789717 /nfs/dbraw/zinc/78/97/17/593789717.db2.gz IFNMENWOAKJOJE-IMBTUZDBSA-N 2 1 345.512 1.670 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCSC1 ZINC000820085195 593789718 /nfs/dbraw/zinc/78/97/18/593789718.db2.gz IFNMENWOAKJOJE-IMBTUZDBSA-N 2 1 345.512 1.670 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCSC1 ZINC000820085195 593789719 /nfs/dbraw/zinc/78/97/19/593789719.db2.gz IFNMENWOAKJOJE-IMBTUZDBSA-N 2 1 345.512 1.670 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000820087545 593789924 /nfs/dbraw/zinc/78/99/24/593789924.db2.gz XQMSMPSFKNZKIA-JCGIZDLHSA-N 2 1 348.491 1.736 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000820087545 593789925 /nfs/dbraw/zinc/78/99/25/593789925.db2.gz XQMSMPSFKNZKIA-JCGIZDLHSA-N 2 1 348.491 1.736 20 0 EDADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000820554934 593831951 /nfs/dbraw/zinc/83/19/51/593831951.db2.gz BXAOSKJOLAKJQY-OAHLLOKOSA-N 2 1 343.479 1.497 20 0 EDADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823696801 593836963 /nfs/dbraw/zinc/83/69/63/593836963.db2.gz HFMLGQUXFUOAFT-DLBZAZTESA-N 2 1 342.447 1.334 20 0 EDADMP CC(C)(CO)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824162077 593941900 /nfs/dbraw/zinc/94/19/00/593941900.db2.gz CGFBBPCVQIPSIV-UHFFFAOYSA-N 2 1 344.463 1.439 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC000824825538 594080774 /nfs/dbraw/zinc/08/07/74/594080774.db2.gz BFOXUUHGBYFQHH-USXIJHARSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC000824825538 594080775 /nfs/dbraw/zinc/08/07/75/594080775.db2.gz BFOXUUHGBYFQHH-USXIJHARSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)(C)[NH2+]CCC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000824940471 594101338 /nfs/dbraw/zinc/10/13/38/594101338.db2.gz BXDDQACWUMJNON-KRWDZBQOSA-N 2 1 333.476 1.648 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(-c2nn[nH]n2)cs1 ZINC000825848831 594261649 /nfs/dbraw/zinc/26/16/49/594261649.db2.gz GDSOUDKUEMMYEV-BPLDGKMQSA-N 2 1 348.476 1.612 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(-c2nn[nH]n2)cs1 ZINC000825848831 594261651 /nfs/dbraw/zinc/26/16/51/594261651.db2.gz GDSOUDKUEMMYEV-BPLDGKMQSA-N 2 1 348.476 1.612 20 0 EDADMP C[C@@H](NC(=O)CCCCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000830300968 594370653 /nfs/dbraw/zinc/37/06/53/594370653.db2.gz FBSGOHGVVSYPOO-AEFFLSMTSA-N 2 1 333.476 1.911 20 0 EDADMP C[C@@H](NC(=O)CCCCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000830300968 594370656 /nfs/dbraw/zinc/37/06/56/594370656.db2.gz FBSGOHGVVSYPOO-AEFFLSMTSA-N 2 1 333.476 1.911 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1)C(C)C ZINC000830357513 594381919 /nfs/dbraw/zinc/38/19/19/594381919.db2.gz AXXXWWKVVDHNOV-MRXNPFEDSA-N 2 1 340.512 1.070 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)cn1 ZINC000826653779 594547479 /nfs/dbraw/zinc/54/74/79/594547479.db2.gz ITWJIZRVEVFFEB-GOSISDBHSA-N 2 1 347.507 1.972 20 0 EDADMP C[C@@]1(NC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000831078246 594550150 /nfs/dbraw/zinc/55/01/50/594550150.db2.gz DCXZLYXXDPUOIP-RBUKOAKNSA-N 2 1 330.476 1.950 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000826686687 594555982 /nfs/dbraw/zinc/55/59/82/594555982.db2.gz WNZYCFRDLBYKIA-AIANPOQGSA-N 2 1 338.496 1.220 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000826686687 594555985 /nfs/dbraw/zinc/55/59/85/594555985.db2.gz WNZYCFRDLBYKIA-AIANPOQGSA-N 2 1 338.496 1.220 20 0 EDADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000826686687 594555987 /nfs/dbraw/zinc/55/59/87/594555987.db2.gz WNZYCFRDLBYKIA-AIANPOQGSA-N 2 1 338.496 1.220 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C[C@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000826907506 594599661 /nfs/dbraw/zinc/59/96/61/594599661.db2.gz QEYDQDLHZLKELN-RBUKOAKNSA-N 2 1 344.503 1.609 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C[C@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000826907506 594599663 /nfs/dbraw/zinc/59/96/63/594599663.db2.gz QEYDQDLHZLKELN-RBUKOAKNSA-N 2 1 344.503 1.609 20 0 EDADMP CC[C@H](C[C@@H](C)O)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000831311436 594605150 /nfs/dbraw/zinc/60/51/50/594605150.db2.gz OMMSJRLMGNHDSX-NVXWUHKLSA-N 2 1 339.524 1.848 20 0 EDADMP [NH3+]Cc1cccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000827325805 594661291 /nfs/dbraw/zinc/66/12/91/594661291.db2.gz IAXYZKYCKVHJQJ-UHFFFAOYSA-N 2 1 339.439 1.908 20 0 EDADMP CCOc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)ccc1OC(=O)CC ZINC000840938343 594830229 /nfs/dbraw/zinc/83/02/29/594830229.db2.gz BXHYOCSLJCZVAQ-SFHVURJKSA-N 2 1 336.432 1.557 20 0 EDADMP CCOc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)ccc1OC(=O)CC ZINC000840938343 594830230 /nfs/dbraw/zinc/83/02/30/594830230.db2.gz BXHYOCSLJCZVAQ-SFHVURJKSA-N 2 1 336.432 1.557 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841310634 594883784 /nfs/dbraw/zinc/88/37/84/594883784.db2.gz GPZKCZQDFXGKML-HOTGVXAUSA-N 2 1 332.448 1.781 20 0 EDADMP Cc1cc([C@H]([NH3+])CC(=O)N2CC[NH2+]C[C@](C)(F)C2)cc(Cl)n1 ZINC000841853153 594965703 /nfs/dbraw/zinc/96/57/03/594965703.db2.gz XGIVKLLJEQQOJM-DOMZBBRYSA-N 2 1 328.819 1.593 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)NCc3ccc(CC[NH3+])cc3)C2)C1 ZINC000841933356 594985168 /nfs/dbraw/zinc/98/51/68/594985168.db2.gz MTAAMLRIACXWNI-IBGZPJMESA-N 2 1 330.476 1.815 20 0 EDADMP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843353667 595084126 /nfs/dbraw/zinc/08/41/26/595084126.db2.gz IHICJMCCCCAWNU-UHFFFAOYSA-N 2 1 346.475 1.505 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000843362697 595087556 /nfs/dbraw/zinc/08/75/56/595087556.db2.gz NYNQFHFFVJVYNA-HOCLYGCPSA-N 2 1 344.459 1.099 20 0 EDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000843362697 595087560 /nfs/dbraw/zinc/08/75/60/595087560.db2.gz NYNQFHFFVJVYNA-HOCLYGCPSA-N 2 1 344.459 1.099 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000843362695 595087926 /nfs/dbraw/zinc/08/79/26/595087926.db2.gz NYNQFHFFVJVYNA-GDBMZVCRSA-N 2 1 344.459 1.099 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000843362695 595087930 /nfs/dbraw/zinc/08/79/30/595087930.db2.gz NYNQFHFFVJVYNA-GDBMZVCRSA-N 2 1 344.459 1.099 20 0 EDADMP CC[C@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000843494031 595129966 /nfs/dbraw/zinc/12/99/66/595129966.db2.gz XNRDGXLGNRIEHL-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CCCCCCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846223107 595178335 /nfs/dbraw/zinc/17/83/35/595178335.db2.gz OMDFXXQTHXTPPC-ULQDDVLXSA-N 2 1 325.497 1.901 20 0 EDADMP O=C(CO[C@@H]1CCC[NH2+]C1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000844180181 595294156 /nfs/dbraw/zinc/29/41/56/595294156.db2.gz OEERPSBWLRCYAO-MRXNPFEDSA-N 2 1 349.500 1.943 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000846775262 595315521 /nfs/dbraw/zinc/31/55/21/595315521.db2.gz YNKPRJYKPVIKEN-IBGZPJMESA-N 2 1 342.487 1.665 20 0 EDADMP C[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847178738 595372008 /nfs/dbraw/zinc/37/20/08/595372008.db2.gz SQZRJTBLUMCQML-OIPACUDHSA-N 2 1 343.487 1.813 20 0 EDADMP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848536111 595403748 /nfs/dbraw/zinc/40/37/48/595403748.db2.gz NTJVQRZBCGCHFG-GDBMZVCRSA-N 2 1 341.496 1.990 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=[NH2+])NCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000848992126 595473599 /nfs/dbraw/zinc/47/35/99/595473599.db2.gz NTBHCHIMWDOBFD-MUJYYYPQSA-N 2 1 326.485 1.416 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(=O)NC2CC2)c1 ZINC000849070984 595477883 /nfs/dbraw/zinc/47/78/83/595477883.db2.gz BNOZKIHIXBYNNO-QGZVFWFLSA-N 2 1 343.475 1.677 20 0 EDADMP OCCCCCC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852765196 595533191 /nfs/dbraw/zinc/53/31/91/595533191.db2.gz OASMKMBYSNEKQB-INIZCTEOSA-N 2 1 335.496 1.551 20 0 EDADMP CC[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849482652 595546772 /nfs/dbraw/zinc/54/67/72/595546772.db2.gz SFUGCXRXJNPCOK-MSOLQXFVSA-N 2 1 349.523 1.692 20 0 EDADMP CC(C)[N@H+]1CC[C@H](C(=O)NCC(C)(C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849487303 595547797 /nfs/dbraw/zinc/54/77/97/595547797.db2.gz OPPCHWBSHXFRAJ-DLBZAZTESA-N 2 1 349.523 1.690 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849541157 595560909 /nfs/dbraw/zinc/56/09/09/595560909.db2.gz LGWGVQRURRQOHI-QZTJIDSGSA-N 2 1 349.523 1.690 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849541157 595560915 /nfs/dbraw/zinc/56/09/15/595560915.db2.gz LGWGVQRURRQOHI-QZTJIDSGSA-N 2 1 349.523 1.690 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849541157 595560917 /nfs/dbraw/zinc/56/09/17/595560917.db2.gz LGWGVQRURRQOHI-QZTJIDSGSA-N 2 1 349.523 1.690 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852895106 595602747 /nfs/dbraw/zinc/60/27/47/595602747.db2.gz XEKFFBJEBVKDMZ-ZBFHGGJFSA-N 2 1 336.480 1.593 20 0 EDADMP C[C@H]([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851926341 595974622 /nfs/dbraw/zinc/97/46/22/595974622.db2.gz OKRGQQNPKAAFJW-YRNRMSPPSA-N 2 1 345.487 1.602 20 0 EDADMP C[C@H]([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000851926341 595974625 /nfs/dbraw/zinc/97/46/25/595974625.db2.gz OKRGQQNPKAAFJW-YRNRMSPPSA-N 2 1 345.487 1.602 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCO1 ZINC000856431579 595989171 /nfs/dbraw/zinc/98/91/71/595989171.db2.gz SXDTVPJZKNYAKD-YJBOKZPZSA-N 2 1 343.487 1.768 20 0 EDADMP Cn1cc(CC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nn1 ZINC000859160612 595991993 /nfs/dbraw/zinc/99/19/93/595991993.db2.gz JHNUDSOMBKGVSR-UHFFFAOYSA-N 2 1 348.539 1.486 20 0 EDADMP Cn1cc(CC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1 ZINC000859160612 595991995 /nfs/dbraw/zinc/99/19/95/595991995.db2.gz JHNUDSOMBKGVSR-UHFFFAOYSA-N 3 1 348.539 1.486 20 0 EDADMP Cn1cc(CC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1 ZINC000859160612 595991998 /nfs/dbraw/zinc/99/19/98/595991998.db2.gz JHNUDSOMBKGVSR-UHFFFAOYSA-N 3 1 348.539 1.486 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@](C)(O)C(C)=O)C2)ccn1 ZINC000856584554 596023442 /nfs/dbraw/zinc/02/34/42/596023442.db2.gz MJFHFUCLJVXESQ-ROUUACIJSA-N 2 1 335.448 1.326 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@](C)(O)C(C)=O)C2)ccn1 ZINC000856584554 596023444 /nfs/dbraw/zinc/02/34/44/596023444.db2.gz MJFHFUCLJVXESQ-ROUUACIJSA-N 2 1 335.448 1.326 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@](C)(O)C(C)=O)C2)ccn1 ZINC000856584554 596023446 /nfs/dbraw/zinc/02/34/46/596023446.db2.gz MJFHFUCLJVXESQ-ROUUACIJSA-N 2 1 335.448 1.326 20 0 EDADMP CC(=O)[C@](C)(O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604476 596032102 /nfs/dbraw/zinc/03/21/02/596032102.db2.gz NTKCAIHPBIVHHO-RBUKOAKNSA-N 2 1 349.475 1.715 20 0 EDADMP CC(=O)[C@](C)(O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604476 596032107 /nfs/dbraw/zinc/03/21/07/596032107.db2.gz NTKCAIHPBIVHHO-RBUKOAKNSA-N 2 1 349.475 1.715 20 0 EDADMP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604476 596032110 /nfs/dbraw/zinc/03/21/10/596032110.db2.gz NTKCAIHPBIVHHO-RBUKOAKNSA-N 2 1 349.475 1.715 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C(C)C ZINC000861570408 596032595 /nfs/dbraw/zinc/03/25/95/596032595.db2.gz PKUFSDCKTNPYBL-CHWSQXEVSA-N 2 1 338.418 1.885 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000852122847 596051141 /nfs/dbraw/zinc/05/11/41/596051141.db2.gz JGUQATOYBOFDDS-YMAMQOFZSA-N 2 1 329.485 1.675 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000852122847 596051145 /nfs/dbraw/zinc/05/11/45/596051145.db2.gz JGUQATOYBOFDDS-YMAMQOFZSA-N 2 1 329.485 1.675 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000852122847 596051149 /nfs/dbraw/zinc/05/11/49/596051149.db2.gz JGUQATOYBOFDDS-YMAMQOFZSA-N 2 1 329.485 1.675 20 0 EDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000852122847 596051153 /nfs/dbraw/zinc/05/11/53/596051153.db2.gz JGUQATOYBOFDDS-YMAMQOFZSA-N 2 1 329.485 1.675 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000861717805 596079584 /nfs/dbraw/zinc/07/95/84/596079584.db2.gz TZZYNAZSKGLNND-QZTJIDSGSA-N 2 1 331.460 1.072 20 0 EDADMP Cn1cncc1CC[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852738874 596236774 /nfs/dbraw/zinc/23/67/74/596236774.db2.gz BTXCSFAGCWHYOO-ZIAGYGMSSA-N 2 1 326.416 1.900 20 0 EDADMP O=C1NC(=O)C2(CCC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCCC3)CC2)N1 ZINC000866562039 596252590 /nfs/dbraw/zinc/25/25/90/596252590.db2.gz NYJWSNRMHQZIQT-RCDNUKIMSA-N 2 1 348.491 1.894 20 0 EDADMP O=C1NC(=O)C2(CCC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCCC3)CC2)N1 ZINC000866562039 596252593 /nfs/dbraw/zinc/25/25/93/596252593.db2.gz NYJWSNRMHQZIQT-RCDNUKIMSA-N 2 1 348.491 1.894 20 0 EDADMP COC(=O)/C=C\c1ccc(OCC[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000866659646 596283791 /nfs/dbraw/zinc/28/37/91/596283791.db2.gz QKTWEPBQPNPDEC-YVMONPNESA-N 2 1 347.459 1.089 20 0 EDADMP CC1(C)CC[C@H](C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)OC1 ZINC000866660405 596283840 /nfs/dbraw/zinc/28/38/40/596283840.db2.gz HRXOSKVRAZSGHD-BRWVUGGUSA-N 2 1 337.508 1.772 20 0 EDADMP Cc1ccccc1OCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714667 596306402 /nfs/dbraw/zinc/30/64/02/596306402.db2.gz UWJIEWLMWIKVTJ-INMHGKMJSA-N 2 1 331.416 1.241 20 0 EDADMP O=C([C@@H](O)c1cnc[nH]1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000864703801 596313821 /nfs/dbraw/zinc/31/38/21/596313821.db2.gz XHICCZLRBSFCKZ-INIZCTEOSA-N 2 1 348.834 1.831 20 0 EDADMP COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000122374821 596376370 /nfs/dbraw/zinc/37/63/70/596376370.db2.gz SDQLZCRYVHUKOE-IXDOHACOSA-N 2 1 325.497 1.819 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000122374821 596376372 /nfs/dbraw/zinc/37/63/72/596376372.db2.gz SDQLZCRYVHUKOE-IXDOHACOSA-N 2 1 325.497 1.819 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)cc1 ZINC000870859285 596379685 /nfs/dbraw/zinc/37/96/85/596379685.db2.gz YVTWNIREBFXHHV-UWVAXJGDSA-N 2 1 343.471 1.857 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870869636 596384032 /nfs/dbraw/zinc/38/40/32/596384032.db2.gz DCIYHXLGHAJLFD-UHFFFAOYSA-N 2 1 333.461 1.935 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870890214 596391689 /nfs/dbraw/zinc/39/16/89/596391689.db2.gz JWFKKWJCYXWWCB-ZACQAIPSSA-N 2 1 345.491 1.226 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)(N2CCCCC2)CC1 ZINC000870894004 596393561 /nfs/dbraw/zinc/39/35/61/596393561.db2.gz CNLYNULSSFWIDY-GJYPPUQNSA-N 2 1 334.508 1.180 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000870962871 596419737 /nfs/dbraw/zinc/41/97/37/596419737.db2.gz BUSRSPYBVOOKJS-IBGZPJMESA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000870962871 596419738 /nfs/dbraw/zinc/41/97/38/596419738.db2.gz BUSRSPYBVOOKJS-IBGZPJMESA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc2nccn2c1 ZINC000865088691 596468998 /nfs/dbraw/zinc/46/89/98/596468998.db2.gz ITAIKZCPBDABJV-INIZCTEOSA-N 2 1 344.463 1.217 20 0 EDADMP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000888573274 596584912 /nfs/dbraw/zinc/58/49/12/596584912.db2.gz HZOYMUOVEJLLFH-MRXNPFEDSA-N 2 1 329.448 1.400 20 0 EDADMP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000888573274 596584915 /nfs/dbraw/zinc/58/49/15/596584915.db2.gz HZOYMUOVEJLLFH-MRXNPFEDSA-N 2 1 329.448 1.400 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000863549963 596615683 /nfs/dbraw/zinc/61/56/83/596615683.db2.gz LLPIIXCKKXAEGV-CABCVRRESA-N 2 1 337.370 1.722 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000868167167 596707914 /nfs/dbraw/zinc/70/79/14/596707914.db2.gz PSYOVVMWSGZHIO-QWHCGFSZSA-N 2 1 330.354 1.752 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000868167167 596707917 /nfs/dbraw/zinc/70/79/17/596707917.db2.gz PSYOVVMWSGZHIO-QWHCGFSZSA-N 2 1 330.354 1.752 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1(C)C ZINC000868179408 596713281 /nfs/dbraw/zinc/71/32/81/596713281.db2.gz OXHRSUQIMCRPPV-DLBZAZTESA-N 2 1 345.491 1.649 20 0 EDADMP Cc1cccn2cc(CCNC(=O)N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)nc12 ZINC000868330991 596788951 /nfs/dbraw/zinc/78/89/51/596788951.db2.gz PMPWOQKPTJIZAS-DOTOQJQBSA-N 2 1 341.459 1.921 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)Cc1ccccc12 ZINC000870183790 596789584 /nfs/dbraw/zinc/78/95/84/596789584.db2.gz OCAFBFVEIXDKCA-GOSISDBHSA-N 2 1 343.471 1.323 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)Cc1ccccc12 ZINC000870183790 596789585 /nfs/dbraw/zinc/78/95/85/596789585.db2.gz OCAFBFVEIXDKCA-GOSISDBHSA-N 2 1 343.471 1.323 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000872145168 596810237 /nfs/dbraw/zinc/81/02/37/596810237.db2.gz PJHBUNOZVVBXFW-OWSLCNJRSA-N 2 1 338.492 1.933 20 0 EDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000872144907 596810439 /nfs/dbraw/zinc/81/04/39/596810439.db2.gz IGQGPOUUDJLFCV-HRCADAONSA-N 2 1 333.480 1.424 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC000872198573 596831515 /nfs/dbraw/zinc/83/15/15/596831515.db2.gz RFFSJYNGRTUHCV-IBGZPJMESA-N 2 1 349.519 1.436 20 0 EDADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1C ZINC000872254519 596855468 /nfs/dbraw/zinc/85/54/68/596855468.db2.gz GHIHCRCBXCZUSP-KURKYZTESA-N 2 1 329.444 1.979 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1C ZINC000872254509 596855887 /nfs/dbraw/zinc/85/58/87/596855887.db2.gz GDGMURXEMCYCNV-INMHGKMJSA-N 2 1 331.416 1.371 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000872257787 596857638 /nfs/dbraw/zinc/85/76/38/596857638.db2.gz WZMPRGKLDYLICK-UHTWSYAYSA-N 2 1 327.837 1.768 20 0 EDADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000872257787 596857642 /nfs/dbraw/zinc/85/76/42/596857642.db2.gz WZMPRGKLDYLICK-UHTWSYAYSA-N 2 1 327.837 1.768 20 0 EDADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CN1C[C@]2(CCOC2)CC1=O ZINC000872744259 597055644 /nfs/dbraw/zinc/05/56/44/597055644.db2.gz SHUQVWGLKVWWLT-IBGZPJMESA-N 2 1 337.508 1.883 20 0 EDADMP CC(C)CN1C[C@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CCN2C1=O ZINC000873210314 597228319 /nfs/dbraw/zinc/22/83/19/597228319.db2.gz BSTKUOQCTSQYOZ-OAHLLOKOSA-N 2 1 348.516 1.972 20 0 EDADMP CC(C)CN1C[C@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CCN2C1=O ZINC000873210314 597228327 /nfs/dbraw/zinc/22/83/27/597228327.db2.gz BSTKUOQCTSQYOZ-OAHLLOKOSA-N 2 1 348.516 1.972 20 0 EDADMP Cn1ncc(Cl)c1C[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873218686 597231259 /nfs/dbraw/zinc/23/12/59/597231259.db2.gz OIJUGXOOBUVFON-UHFFFAOYSA-N 2 1 331.811 1.403 20 0 EDADMP NC(=O)COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873226860 597234048 /nfs/dbraw/zinc/23/40/48/597234048.db2.gz CKUSOXFAMDACSF-DGCLKSJQSA-N 2 1 331.338 1.120 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873226860 597234050 /nfs/dbraw/zinc/23/40/50/597234050.db2.gz CKUSOXFAMDACSF-DGCLKSJQSA-N 2 1 331.338 1.120 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)[C@H]2CCC[C@H]21 ZINC000873245338 597237671 /nfs/dbraw/zinc/23/76/71/597237671.db2.gz ZFHLTVZCUYETCF-CEXWTWQISA-N 3 1 340.475 1.688 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000875014076 597244294 /nfs/dbraw/zinc/24/42/94/597244294.db2.gz GVQCODJIRPKIOG-BRWVUGGUSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000875014076 597244298 /nfs/dbraw/zinc/24/42/98/597244298.db2.gz GVQCODJIRPKIOG-BRWVUGGUSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000875014076 597244303 /nfs/dbraw/zinc/24/43/03/597244303.db2.gz GVQCODJIRPKIOG-BRWVUGGUSA-N 2 1 338.496 1.079 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000876727491 597308453 /nfs/dbraw/zinc/30/84/53/597308453.db2.gz MDVRAWJFMUXNDU-ARFHVFGLSA-N 2 1 331.464 1.473 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)c1 ZINC000876728005 597309184 /nfs/dbraw/zinc/30/91/84/597309184.db2.gz FVOGFWTURLDQIN-CWRNSKLLSA-N 2 1 348.422 1.022 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)c1 ZINC000876728005 597309188 /nfs/dbraw/zinc/30/91/88/597309188.db2.gz FVOGFWTURLDQIN-CWRNSKLLSA-N 2 1 348.422 1.022 20 0 EDADMP C[C@H](CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000876728525 597309259 /nfs/dbraw/zinc/30/92/59/597309259.db2.gz OUIQEAVJCZAWEH-JMSVASOKSA-N 2 1 325.453 1.559 20 0 EDADMP C[C@H](CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000876728525 597309264 /nfs/dbraw/zinc/30/92/64/597309264.db2.gz OUIQEAVJCZAWEH-JMSVASOKSA-N 2 1 325.453 1.559 20 0 EDADMP C[C@@H](CNC(=O)c1c(C[NH3+])cnn1C)[N@@H+]1CCc2sccc2C1 ZINC000876728779 597309505 /nfs/dbraw/zinc/30/95/05/597309505.db2.gz VKGVEAMYEJABTE-NSHDSACASA-N 2 1 333.461 1.117 20 0 EDADMP C[C@@H](CNC(=O)c1c(C[NH3+])cnn1C)[N@H+]1CCc2sccc2C1 ZINC000876728779 597309511 /nfs/dbraw/zinc/30/95/11/597309511.db2.gz VKGVEAMYEJABTE-NSHDSACASA-N 2 1 333.461 1.117 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000876734953 597312998 /nfs/dbraw/zinc/31/29/98/597312998.db2.gz XEWAIZNAMMBQNF-HOTGVXAUSA-N 2 1 333.480 1.576 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876769693 597332754 /nfs/dbraw/zinc/33/27/54/597332754.db2.gz XXVLTOUBJKNWKG-OAGGEKHMSA-N 2 1 345.491 1.082 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000876897144 597375998 /nfs/dbraw/zinc/37/59/98/597375998.db2.gz QBQYZMYKTPBQTB-RCCFBDPRSA-N 2 1 345.487 1.767 20 0 EDADMP C[N@H+](CCC[NH2+]Cc1cccc(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000876900237 597377244 /nfs/dbraw/zinc/37/72/44/597377244.db2.gz GRDKRQGSJDQLJK-UHFFFAOYSA-N 2 1 347.484 1.946 20 0 EDADMP C[N@@H+](CCC[NH2+]Cc1cccc(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000876900237 597377246 /nfs/dbraw/zinc/37/72/46/597377246.db2.gz GRDKRQGSJDQLJK-UHFFFAOYSA-N 2 1 347.484 1.946 20 0 EDADMP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)=NO1 ZINC000877143256 597441989 /nfs/dbraw/zinc/44/19/89/597441989.db2.gz JJLJXRJVDJMXRO-IAGOWNOFSA-N 2 1 344.459 1.651 20 0 EDADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)nn2)C1 ZINC000877191286 597457602 /nfs/dbraw/zinc/45/76/02/597457602.db2.gz NXGADHNMNFBKQW-MRXNPFEDSA-N 2 1 332.835 1.986 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)nn2)C1 ZINC000877191286 597457604 /nfs/dbraw/zinc/45/76/04/597457604.db2.gz NXGADHNMNFBKQW-MRXNPFEDSA-N 2 1 332.835 1.986 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)C1 ZINC000877228696 597468886 /nfs/dbraw/zinc/46/88/86/597468886.db2.gz CLLZDNKFWSUZNE-KFKAGJAMSA-N 2 1 345.487 1.700 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)C1 ZINC000877228696 597468889 /nfs/dbraw/zinc/46/88/89/597468889.db2.gz CLLZDNKFWSUZNE-KFKAGJAMSA-N 2 1 345.487 1.700 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000877229195 597468898 /nfs/dbraw/zinc/46/88/98/597468898.db2.gz IWINTEVMFNGEFI-FUHWJXTLSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000877229195 597468901 /nfs/dbraw/zinc/46/89/01/597468901.db2.gz IWINTEVMFNGEFI-FUHWJXTLSA-N 2 1 331.460 1.312 20 0 EDADMP CC[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C)CCO2)CCC[NH2+]1 ZINC000877229193 597469257 /nfs/dbraw/zinc/46/92/57/597469257.db2.gz IVWPCZQFVLXRIT-UYAOXDASSA-N 2 1 345.487 1.844 20 0 EDADMP CC[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)CCC[NH2+]1 ZINC000877229193 597469259 /nfs/dbraw/zinc/46/92/59/597469259.db2.gz IVWPCZQFVLXRIT-UYAOXDASSA-N 2 1 345.487 1.844 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000877231563 597470602 /nfs/dbraw/zinc/47/06/02/597470602.db2.gz OCCUVZXQMXWUOD-IEBWSBKVSA-N 2 1 333.476 1.830 20 0 EDADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000877231563 597470605 /nfs/dbraw/zinc/47/06/05/597470605.db2.gz OCCUVZXQMXWUOD-IEBWSBKVSA-N 2 1 333.476 1.830 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000877232239 597471336 /nfs/dbraw/zinc/47/13/36/597471336.db2.gz ZWPSBYDRHFJVTE-MSOLQXFVSA-N 2 1 331.460 1.454 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000877232239 597471338 /nfs/dbraw/zinc/47/13/38/597471338.db2.gz ZWPSBYDRHFJVTE-MSOLQXFVSA-N 2 1 331.460 1.454 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877250293 597479519 /nfs/dbraw/zinc/47/95/19/597479519.db2.gz OOQQFSBWHJTDBW-BZUAXINKSA-N 2 1 331.464 1.282 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877257930 597482056 /nfs/dbraw/zinc/48/20/56/597482056.db2.gz UOPOIUKJFPZKFM-PXNSSMCTSA-N 2 1 346.519 1.669 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)CC2)cs1 ZINC000877375714 597504530 /nfs/dbraw/zinc/50/45/30/597504530.db2.gz XWUXRSCWXREGGD-MAUKXSAKSA-N 2 1 348.516 1.731 20 0 EDADMP [NH3+][C@@H](C[C@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1)C1CCCC1 ZINC000877451903 597517462 /nfs/dbraw/zinc/51/74/62/597517462.db2.gz MUBQWTFISYRRHJ-CJNGLKHVSA-N 2 1 345.491 1.815 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cc3c([nH]c2=O)CCCC3)CC1 ZINC000877779784 597555523 /nfs/dbraw/zinc/55/55/23/597555523.db2.gz YWMFRTSYIBHWLY-UHFFFAOYSA-N 2 1 333.476 1.991 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC000878116264 597579612 /nfs/dbraw/zinc/57/96/12/597579612.db2.gz GARRYHXMQGBFPS-INIZCTEOSA-N 2 1 333.451 1.901 20 0 EDADMP CN1C(=O)[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@H]2C1=O ZINC000879535226 597623491 /nfs/dbraw/zinc/62/34/91/597623491.db2.gz KBPFTJIHKAZZPH-HDICACEKSA-N 2 1 341.455 1.719 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC000878547011 597630201 /nfs/dbraw/zinc/63/02/01/597630201.db2.gz SXPLBSSQIDFVIG-LJQANCHMSA-N 2 1 333.451 2.000 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000878562601 597635937 /nfs/dbraw/zinc/63/59/37/597635937.db2.gz AYMNJERGOQWCOT-HXUWFJFHSA-N 2 1 345.487 1.223 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000878562601 597635939 /nfs/dbraw/zinc/63/59/39/597635939.db2.gz AYMNJERGOQWCOT-HXUWFJFHSA-N 2 1 345.487 1.223 20 0 EDADMP CN(C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000879579897 597642291 /nfs/dbraw/zinc/64/22/91/597642291.db2.gz PYNPWFXKABYAMW-SOUVJXGZSA-N 2 1 327.469 1.240 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000879579897 597642294 /nfs/dbraw/zinc/64/22/94/597642294.db2.gz PYNPWFXKABYAMW-SOUVJXGZSA-N 2 1 327.469 1.240 20 0 EDADMP CN(C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000879579897 597642296 /nfs/dbraw/zinc/64/22/96/597642296.db2.gz PYNPWFXKABYAMW-SOUVJXGZSA-N 2 1 327.469 1.240 20 0 EDADMP CN(C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000879579897 597642298 /nfs/dbraw/zinc/64/22/98/597642298.db2.gz PYNPWFXKABYAMW-SOUVJXGZSA-N 2 1 327.469 1.240 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCON3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000879579400 597642326 /nfs/dbraw/zinc/64/23/26/597642326.db2.gz LACQBIXGCCERMB-RHSMWYFYSA-N 2 1 343.427 1.630 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCON3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000879579400 597642328 /nfs/dbraw/zinc/64/23/28/597642328.db2.gz LACQBIXGCCERMB-RHSMWYFYSA-N 2 1 343.427 1.630 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCON3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000879579400 597642330 /nfs/dbraw/zinc/64/23/30/597642330.db2.gz LACQBIXGCCERMB-RHSMWYFYSA-N 2 1 343.427 1.630 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCON3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000879579400 597642333 /nfs/dbraw/zinc/64/23/33/597642333.db2.gz LACQBIXGCCERMB-RHSMWYFYSA-N 2 1 343.427 1.630 20 0 EDADMP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592222 597649015 /nfs/dbraw/zinc/64/90/15/597649015.db2.gz ZWSMCJVQIOHUAF-QGZVFWFLSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CCN1c1cc[nH+]cc1 ZINC000881632152 597665438 /nfs/dbraw/zinc/66/54/38/597665438.db2.gz KWZOACJALGNLDZ-GOEBONIOSA-N 2 1 334.489 1.556 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+][C@H](COC)[C@H]2CCCOC2)CC1 ZINC000883172535 597676811 /nfs/dbraw/zinc/67/68/11/597676811.db2.gz KPDBUZYCPUTYMG-ZWKOTPCHSA-N 2 1 327.513 1.435 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000883332531 597716444 /nfs/dbraw/zinc/71/64/44/597716444.db2.gz WZQURBUPGKQDDJ-ZBFHGGJFSA-N 2 1 338.496 1.412 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000879973912 597792130 /nfs/dbraw/zinc/79/21/30/597792130.db2.gz FDINZMSDCUGOAD-BRSBDYLESA-N 2 1 337.508 1.602 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000879973912 597792131 /nfs/dbraw/zinc/79/21/31/597792131.db2.gz FDINZMSDCUGOAD-BRSBDYLESA-N 2 1 337.508 1.602 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000879973912 597792133 /nfs/dbraw/zinc/79/21/33/597792133.db2.gz FDINZMSDCUGOAD-BRSBDYLESA-N 2 1 337.508 1.602 20 0 EDADMP C[C@H]([NH3+])CN(C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883584979 597813480 /nfs/dbraw/zinc/81/34/80/597813480.db2.gz BWCVXSOQIOLLED-WMLDXEAASA-N 2 1 331.464 1.782 20 0 EDADMP C[NH2+]CCN(C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883586291 597814186 /nfs/dbraw/zinc/81/41/86/597814186.db2.gz IOWXMELPBATOBY-KRWDZBQOSA-N 2 1 331.464 1.654 20 0 EDADMP COCC[N@@H+](CC(=O)N(C)c1nccs1)CC1CC[NH+](C)CC1 ZINC000879125070 597826691 /nfs/dbraw/zinc/82/66/91/597826691.db2.gz NWOVNNJNDILIHD-UHFFFAOYSA-N 2 1 340.493 1.396 20 0 EDADMP COCC[N@H+](CC(=O)N(C)c1nccs1)CC1CC[NH+](C)CC1 ZINC000879125070 597826695 /nfs/dbraw/zinc/82/66/95/597826695.db2.gz NWOVNNJNDILIHD-UHFFFAOYSA-N 2 1 340.493 1.396 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884180092 598016854 /nfs/dbraw/zinc/01/68/54/598016854.db2.gz LXESGEPVQIUKKE-MRXNPFEDSA-N 2 1 345.491 1.486 20 0 EDADMP [NH3+][C@H](CC1CC1)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000884346542 598076450 /nfs/dbraw/zinc/07/64/50/598076450.db2.gz OWFCFBZMNKZPRE-MRXNPFEDSA-N 2 1 345.491 1.710 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884394359 598092240 /nfs/dbraw/zinc/09/22/40/598092240.db2.gz CREROSJDRYXOLR-HNNXBMFYSA-N 2 1 345.491 1.341 20 0 EDADMP CO[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040913602 699975996 /nfs/dbraw/zinc/97/59/96/699975996.db2.gz BTGCWKBXMAFYPD-SJORKVTESA-N 2 1 337.508 1.678 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000914219621 695283492 /nfs/dbraw/zinc/28/34/92/695283492.db2.gz YQJOUVPWDJLNEY-JJXSEGSLSA-N 2 1 338.521 1.492 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914219621 695283495 /nfs/dbraw/zinc/28/34/95/695283495.db2.gz YQJOUVPWDJLNEY-JJXSEGSLSA-N 2 1 338.521 1.492 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000914248760 695310628 /nfs/dbraw/zinc/31/06/28/695310628.db2.gz XKGJRUOXTZWYMC-QGZVFWFLSA-N 2 1 344.463 1.969 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NCCNc2ccc(C)c[nH+]2)CC1 ZINC000914397535 695385735 /nfs/dbraw/zinc/38/57/35/695385735.db2.gz CBAGNNKZSZLYDA-UHFFFAOYSA-N 2 1 335.452 1.212 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C1CCC1 ZINC001015502574 695555334 /nfs/dbraw/zinc/55/53/34/695555334.db2.gz GJGVJEBBHPYJFP-SJORKVTESA-N 2 1 337.508 1.866 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@@H]1C ZINC000993329050 695983035 /nfs/dbraw/zinc/98/30/35/695983035.db2.gz BUFQUAWIDZVVNE-GOEBONIOSA-N 2 1 334.464 1.377 20 0 EDADMP CCCC[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000993366790 696015231 /nfs/dbraw/zinc/01/52/31/696015231.db2.gz PAUSMLNJOGXCBU-HOTGVXAUSA-N 2 1 335.496 1.828 20 0 EDADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031266369 696078963 /nfs/dbraw/zinc/07/89/63/696078963.db2.gz QYCFKTKYJXXDPG-QAPCUYQASA-N 2 1 343.471 1.047 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000993980951 696480373 /nfs/dbraw/zinc/48/03/73/696480373.db2.gz CIYIODISBHEGGF-YJBOKZPZSA-N 2 1 333.476 1.977 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CCC[N@H+]1CCCO ZINC000993987065 696482820 /nfs/dbraw/zinc/48/28/20/696482820.db2.gz LLJLUFRLTZDGBN-QAPCUYQASA-N 2 1 333.476 1.713 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)o1 ZINC000994253953 696656249 /nfs/dbraw/zinc/65/62/49/696656249.db2.gz OUIZUEDTYORGSE-HOCLYGCPSA-N 2 1 346.475 1.856 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)o1 ZINC000994253953 696656250 /nfs/dbraw/zinc/65/62/50/696656250.db2.gz OUIZUEDTYORGSE-HOCLYGCPSA-N 2 1 346.475 1.856 20 0 EDADMP COc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)on1 ZINC000940007975 700109256 /nfs/dbraw/zinc/10/92/56/700109256.db2.gz CAEKLOIOEAGBEI-CQSZACIVSA-N 2 1 336.436 1.248 20 0 EDADMP CO[C@H](C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC001031584358 697279860 /nfs/dbraw/zinc/27/98/60/697279860.db2.gz BZYMXLMBGHQTMQ-ZWKOTPCHSA-N 2 1 331.460 1.516 20 0 EDADMP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)ccc1C ZINC001031585304 697281125 /nfs/dbraw/zinc/28/11/25/697281125.db2.gz VWYVNSDKCLLHKJ-KRWDZBQOSA-N 2 1 331.460 1.646 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001031594877 697294816 /nfs/dbraw/zinc/29/48/16/697294816.db2.gz LMYMIMWYQWPENW-IBGZPJMESA-N 2 1 343.471 1.054 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001031594877 697294817 /nfs/dbraw/zinc/29/48/17/697294817.db2.gz LMYMIMWYQWPENW-IBGZPJMESA-N 2 1 343.471 1.054 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCCc3ccsc3)C2)C1 ZINC001031597253 697297839 /nfs/dbraw/zinc/29/78/39/697297839.db2.gz XZFKJWPDJBYDJY-MRXNPFEDSA-N 2 1 337.489 1.059 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCCc3ccsc3)C2)C1 ZINC001031597253 697297840 /nfs/dbraw/zinc/29/78/40/697297840.db2.gz XZFKJWPDJBYDJY-MRXNPFEDSA-N 2 1 337.489 1.059 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000920226318 697411401 /nfs/dbraw/zinc/41/14/01/697411401.db2.gz FLCIMLTWXQJSKH-IAGOWNOFSA-N 2 1 333.480 1.858 20 0 EDADMP O=C(NCC1CN(Cc2cccnc2)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031668513 697460885 /nfs/dbraw/zinc/46/08/85/697460885.db2.gz ICGWGQNLVMLCFX-MSOLQXFVSA-N 2 1 328.460 1.504 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031668513 697460887 /nfs/dbraw/zinc/46/08/87/697460887.db2.gz ICGWGQNLVMLCFX-MSOLQXFVSA-N 2 1 328.460 1.504 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031668513 697460889 /nfs/dbraw/zinc/46/08/89/697460889.db2.gz ICGWGQNLVMLCFX-MSOLQXFVSA-N 2 1 328.460 1.504 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccsc2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688720 697526899 /nfs/dbraw/zinc/52/68/99/697526899.db2.gz KKLJAJYTPLTRHP-CVEARBPZSA-N 2 1 335.473 1.159 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001031715396 697739568 /nfs/dbraw/zinc/73/95/68/697739568.db2.gz TWXMYJGLDFHGPW-HUUCEWRRSA-N 2 1 345.434 1.333 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001031715396 697739570 /nfs/dbraw/zinc/73/95/70/697739570.db2.gz TWXMYJGLDFHGPW-HUUCEWRRSA-N 2 1 345.434 1.333 20 0 EDADMP C[C@H]1C[N@H+](Cc2nccn2C)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943336636 698154628 /nfs/dbraw/zinc/15/46/28/698154628.db2.gz VUFATUKIDUZLDL-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP C[C@H]1C[N@@H+](Cc2nccn2C)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943336636 698154630 /nfs/dbraw/zinc/15/46/30/698154630.db2.gz VUFATUKIDUZLDL-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP Cc1conc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000995040144 700222180 /nfs/dbraw/zinc/22/21/80/700222180.db2.gz VHOMKXFTXOLSFM-HUUCEWRRSA-N 2 1 331.420 1.563 20 0 EDADMP Cc1cccn2cc(CC(=O)N[C@H]3CC[N@H+](CCCO)C[C@H]3C)nc12 ZINC000943517550 698432240 /nfs/dbraw/zinc/43/22/40/698432240.db2.gz PNNHPTUHDHQQOI-WBVHZDCISA-N 2 1 344.459 1.394 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000995040996 700248522 /nfs/dbraw/zinc/24/85/22/700248522.db2.gz XSMITWZAOWLNBV-RDJZCZTQSA-N 2 1 342.447 1.365 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031766892 699066760 /nfs/dbraw/zinc/06/67/60/699066760.db2.gz NKMGMNWNRXGQTF-DLBZAZTESA-N 2 1 332.448 1.548 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001031766892 699066763 /nfs/dbraw/zinc/06/67/63/699066763.db2.gz NKMGMNWNRXGQTF-DLBZAZTESA-N 2 1 332.448 1.548 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC001031776830 699169729 /nfs/dbraw/zinc/16/97/29/699169729.db2.gz PJIJFSBGGYXOLC-QZTJIDSGSA-N 2 1 337.508 1.460 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1nccs1 ZINC000939127343 699205155 /nfs/dbraw/zinc/20/51/55/699205155.db2.gz CLLRRTYXHZBYRQ-KBPBESRZSA-N 2 1 336.505 1.812 20 0 EDADMP CC(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567498 701579856 /nfs/dbraw/zinc/57/98/56/701579856.db2.gz VFZSYNQPXWIVTO-WMZOPIPTSA-N 2 1 336.524 1.059 20 0 EDADMP CC[NH+]1CC(N2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)CC2)C1 ZINC000941566576 701585231 /nfs/dbraw/zinc/58/52/31/701585231.db2.gz IBLOMHFRLFAKAT-SFHVURJKSA-N 2 1 340.487 1.047 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000939237037 699406244 /nfs/dbraw/zinc/40/62/44/699406244.db2.gz UDFTZOHQRJFQDI-ZFWWWQNUSA-N 2 1 345.447 1.940 20 0 EDADMP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cscn1 ZINC000939247207 699417371 /nfs/dbraw/zinc/41/73/71/699417371.db2.gz OFCLZIRUDCZSAP-BBRMVZONSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000939312293 699487065 /nfs/dbraw/zinc/48/70/65/699487065.db2.gz BZQOJNQVBHWDRH-WBVHZDCISA-N 2 1 337.508 1.581 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccnc2C)C1 ZINC000939747766 699894557 /nfs/dbraw/zinc/89/45/57/699894557.db2.gz LIQUGYMXQJAKGI-CXAGYDPISA-N 2 1 327.432 1.532 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000939745945 699911872 /nfs/dbraw/zinc/91/18/72/699911872.db2.gz FGPYXKJGCDXJAM-WBMJQRKESA-N 2 1 331.420 1.379 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nncn2C)CC1 ZINC000940141683 700269535 /nfs/dbraw/zinc/26/95/35/700269535.db2.gz BMLXNDXGDSWRSW-HNNXBMFYSA-N 2 1 348.495 1.160 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995042225 700278213 /nfs/dbraw/zinc/27/82/13/700278213.db2.gz ZYCGTTDHEIEHPZ-WMLDXEAASA-N 2 1 345.422 1.800 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCn2cccn2)C1 ZINC001032119098 701628794 /nfs/dbraw/zinc/62/87/94/701628794.db2.gz FHRMCRUKXDXYKU-GOSISDBHSA-N 2 1 347.507 1.586 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000940179054 700312764 /nfs/dbraw/zinc/31/27/64/700312764.db2.gz QEFZDTGKVFUKMS-INIZCTEOSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000940328101 700505953 /nfs/dbraw/zinc/50/59/53/700505953.db2.gz FNEBXNKJYQLURO-WMLDXEAASA-N 2 1 347.507 1.397 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)no1 ZINC000940329641 700508854 /nfs/dbraw/zinc/50/88/54/700508854.db2.gz WGVQNLNJBJLPDW-KBPBESRZSA-N 2 1 349.479 1.300 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)no1 ZINC000940329641 700508856 /nfs/dbraw/zinc/50/88/56/700508856.db2.gz WGVQNLNJBJLPDW-KBPBESRZSA-N 2 1 349.479 1.300 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cn1 ZINC000940329741 700509432 /nfs/dbraw/zinc/50/94/32/700509432.db2.gz YGVAFIXJBDPMHW-HNNXBMFYSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)CC3CC[NH+](C)CC3)CC2)n1 ZINC000940365507 700546362 /nfs/dbraw/zinc/54/63/62/700546362.db2.gz HSDACSBZJYVDRX-UHFFFAOYSA-N 2 1 349.479 1.581 20 0 EDADMP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000940426691 700620605 /nfs/dbraw/zinc/62/06/05/700620605.db2.gz XUSTUGARANLSNG-AWEZNQCLSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940626133 700788462 /nfs/dbraw/zinc/78/84/62/700788462.db2.gz ZNSJDRSEFIUHFE-SJORKVTESA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940626133 700788464 /nfs/dbraw/zinc/78/84/64/700788464.db2.gz ZNSJDRSEFIUHFE-SJORKVTESA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940626133 700788466 /nfs/dbraw/zinc/78/84/66/700788466.db2.gz ZNSJDRSEFIUHFE-SJORKVTESA-N 2 1 345.491 1.596 20 0 EDADMP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)[C@@H]1CCCc2nccn21 ZINC000940794827 700913907 /nfs/dbraw/zinc/91/39/07/700913907.db2.gz AKFYKDZQWTXJHZ-GJZGRUSLSA-N 2 1 334.464 1.360 20 0 EDADMP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000940794827 700913908 /nfs/dbraw/zinc/91/39/08/700913908.db2.gz AKFYKDZQWTXJHZ-GJZGRUSLSA-N 2 1 334.464 1.360 20 0 EDADMP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000940794827 700913910 /nfs/dbraw/zinc/91/39/10/700913910.db2.gz AKFYKDZQWTXJHZ-GJZGRUSLSA-N 2 1 334.464 1.360 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867613 700948844 /nfs/dbraw/zinc/94/88/44/700948844.db2.gz GAIDYDMZBINYJW-XJKSGUPXSA-N 2 1 330.432 1.545 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCCF)CC2(C)C)C1 ZINC000940971820 701014285 /nfs/dbraw/zinc/01/42/85/701014285.db2.gz DBWHBWMFEPFFJQ-HZPDHXFCSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCCF)CC2(C)C)C1 ZINC000940971820 701014287 /nfs/dbraw/zinc/01/42/87/701014287.db2.gz DBWHBWMFEPFFJQ-HZPDHXFCSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCCF)CC2(C)C)C1 ZINC000940971820 701014289 /nfs/dbraw/zinc/01/42/89/701014289.db2.gz DBWHBWMFEPFFJQ-HZPDHXFCSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCF)CC2(C)C)C1 ZINC000940971820 701014290 /nfs/dbraw/zinc/01/42/90/701014290.db2.gz DBWHBWMFEPFFJQ-HZPDHXFCSA-N 2 1 343.487 1.672 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCCO)CC2(C)C)CC[N@H+]1C ZINC000940980071 701020462 /nfs/dbraw/zinc/02/04/62/701020462.db2.gz NMOMCOICRXYWEC-HRCADAONSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CCCO)CC2(C)C)CC[NH+]1C ZINC000940980071 701020464 /nfs/dbraw/zinc/02/04/64/701020464.db2.gz NMOMCOICRXYWEC-HRCADAONSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCO)CC2(C)C)CC[NH+]1C ZINC000940980071 701020466 /nfs/dbraw/zinc/02/04/66/701020466.db2.gz NMOMCOICRXYWEC-HRCADAONSA-N 2 1 325.497 1.316 20 0 EDADMP Cc1ncc2n1C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCF)CC1(C)C)CC2 ZINC000940988080 701041845 /nfs/dbraw/zinc/04/18/45/701041845.db2.gz QWWDDGOPTSHWLF-GOEBONIOSA-N 2 1 336.455 1.940 20 0 EDADMP Cc1ncc2n1C[C@@H](C(=O)N[C@@H]1CCN(CCF)CC1(C)C)CC2 ZINC000940988080 701041847 /nfs/dbraw/zinc/04/18/47/701041847.db2.gz QWWDDGOPTSHWLF-GOEBONIOSA-N 2 1 336.455 1.940 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001031922793 701091736 /nfs/dbraw/zinc/09/17/36/701091736.db2.gz JZIVMULROITSOG-VQIMIIECSA-N 2 1 345.487 1.905 20 0 EDADMP CC1(C)C[N@@H+](C[C@H]2CCCOC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166987 701377758 /nfs/dbraw/zinc/37/77/58/701377758.db2.gz NVFRHQOIYRCINN-SJORKVTESA-N 2 1 349.519 1.726 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCC3)CC2(C)C)C1 ZINC000941231296 701404880 /nfs/dbraw/zinc/40/48/80/701404880.db2.gz PUAZXKXTYHJKIL-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCC3)CC2(C)C)C1 ZINC000941231296 701404881 /nfs/dbraw/zinc/40/48/81/701404881.db2.gz PUAZXKXTYHJKIL-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CCC3)CC2(C)C)C1 ZINC000941231296 701404882 /nfs/dbraw/zinc/40/48/82/701404882.db2.gz PUAZXKXTYHJKIL-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)CC2(C)C)C1 ZINC000941231296 701404883 /nfs/dbraw/zinc/40/48/83/701404883.db2.gz PUAZXKXTYHJKIL-IAGOWNOFSA-N 2 1 337.508 1.724 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3cncc(F)c3)CC2(C)C)C1 ZINC000941218216 701408950 /nfs/dbraw/zinc/40/89/50/701408950.db2.gz XDGCMEGIGHXILI-RDJZCZTQSA-N 2 1 348.466 1.889 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3cncc(F)c3)CC2(C)C)C1 ZINC000941218216 701408951 /nfs/dbraw/zinc/40/89/51/701408951.db2.gz XDGCMEGIGHXILI-RDJZCZTQSA-N 2 1 348.466 1.889 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cncc(F)c3)CC2(C)C)C1 ZINC000941218216 701408952 /nfs/dbraw/zinc/40/89/52/701408952.db2.gz XDGCMEGIGHXILI-RDJZCZTQSA-N 2 1 348.466 1.889 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cncc(F)c3)CC2(C)C)C1 ZINC000941218216 701408953 /nfs/dbraw/zinc/40/89/53/701408953.db2.gz XDGCMEGIGHXILI-RDJZCZTQSA-N 2 1 348.466 1.889 20 0 EDADMP CC[C@@H](C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1)OC ZINC000941223886 701414134 /nfs/dbraw/zinc/41/41/34/701414134.db2.gz MJJTVYIOQAOYQW-JKSUJKDBSA-N 2 1 336.480 1.833 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1)OC ZINC000941223886 701414135 /nfs/dbraw/zinc/41/41/35/701414135.db2.gz MJJTVYIOQAOYQW-JKSUJKDBSA-N 2 1 336.480 1.833 20 0 EDADMP CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)C1 ZINC000941410672 701526882 /nfs/dbraw/zinc/52/68/82/701526882.db2.gz LRQDJDODUXKQEN-KRWDZBQOSA-N 2 1 348.535 1.489 20 0 EDADMP CO[C@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583468 701763733 /nfs/dbraw/zinc/76/37/33/701763733.db2.gz RRZWUXAQLZJWMW-SJORKVTESA-N 2 1 337.508 1.963 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cc1C ZINC001031975957 701932467 /nfs/dbraw/zinc/93/24/67/701932467.db2.gz CHODGQXNPIHBNZ-QAPCUYQASA-N 2 1 345.487 1.749 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000999189040 706631028 /nfs/dbraw/zinc/63/10/28/706631028.db2.gz GOPAUCVBFHVKPB-KZNAEPCWSA-N 2 1 347.507 1.421 20 0 EDADMP CCn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999190762 706633032 /nfs/dbraw/zinc/63/30/32/706633032.db2.gz TVANITFQMCFIDK-BZUAXINKSA-N 2 1 333.480 1.324 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1 ZINC000995800542 702043268 /nfs/dbraw/zinc/04/32/68/702043268.db2.gz GAOIDXDQLYHYQO-IAGOWNOFSA-N 2 1 347.507 1.620 20 0 EDADMP Cc1nc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cs1 ZINC001031979400 702068076 /nfs/dbraw/zinc/06/80/76/702068076.db2.gz CXLDHBHSAUJISH-LRDDRELGSA-N 2 1 336.505 1.240 20 0 EDADMP C[C@H](F)CC[NH+]1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001031978727 702104383 /nfs/dbraw/zinc/10/43/83/702104383.db2.gz JYWIYDXUJZQDKO-ZDUSSCGKSA-N 2 1 338.427 1.680 20 0 EDADMP CCCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001032182870 702213184 /nfs/dbraw/zinc/21/31/84/702213184.db2.gz UEFJHSSCOLIBAL-OAHLLOKOSA-N 2 1 334.464 1.435 20 0 EDADMP CCCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001032182870 702213189 /nfs/dbraw/zinc/21/31/89/702213189.db2.gz UEFJHSSCOLIBAL-OAHLLOKOSA-N 2 1 334.464 1.435 20 0 EDADMP Cc1ccccc1CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186573 702275364 /nfs/dbraw/zinc/27/53/64/702275364.db2.gz SAFZJCJMWYBQQR-IBGZPJMESA-N 2 1 329.488 1.927 20 0 EDADMP C[C@H]([NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C)c1nncn1C ZINC000995916400 702277356 /nfs/dbraw/zinc/27/73/56/702277356.db2.gz IJXUMPYSSWPUKI-ZFWWWQNUSA-N 2 1 348.495 1.187 20 0 EDADMP C[C@H]([NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C)c1nncn1C ZINC000995916400 702277362 /nfs/dbraw/zinc/27/73/62/702277362.db2.gz IJXUMPYSSWPUKI-ZFWWWQNUSA-N 2 1 348.495 1.187 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001032186181 702318724 /nfs/dbraw/zinc/31/87/24/702318724.db2.gz KDLXWQYAEZYOOH-RDTXWAMCSA-N 2 1 331.435 1.813 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995984923 702345908 /nfs/dbraw/zinc/34/59/08/702345908.db2.gz VXNWCQJJGMCGBL-JKSUJKDBSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995984923 702345915 /nfs/dbraw/zinc/34/59/15/702345915.db2.gz VXNWCQJJGMCGBL-JKSUJKDBSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2cn(C)nc2C)C(C)(C)C1 ZINC000996043917 702461951 /nfs/dbraw/zinc/46/19/51/702461951.db2.gz QSAHPEJOMLEKHQ-MRXNPFEDSA-N 2 1 344.463 1.260 20 0 EDADMP C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942098999 702593721 /nfs/dbraw/zinc/59/37/21/702593721.db2.gz FIBGXOGPBDJOLX-UKRRQHHQSA-N 2 1 339.505 1.632 20 0 EDADMP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)no1 ZINC000995205445 702624084 /nfs/dbraw/zinc/62/40/84/702624084.db2.gz ZSZGQQQMLOWHLS-LSDHHAIUSA-N 2 1 331.420 1.563 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3cscn3)C(C)(C)C2)C1 ZINC000996299723 702690709 /nfs/dbraw/zinc/69/07/09/702690709.db2.gz DDEZUAFTJJYBFZ-ZFWWWQNUSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3cscn3)C(C)(C)C2)C1 ZINC000996299723 702690710 /nfs/dbraw/zinc/69/07/10/702690710.db2.gz DDEZUAFTJJYBFZ-ZFWWWQNUSA-N 2 1 336.505 1.812 20 0 EDADMP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)n1 ZINC000996299927 702691026 /nfs/dbraw/zinc/69/10/26/702691026.db2.gz GWOYWJLZXACQFJ-DOTOQJQBSA-N 2 1 347.507 1.714 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996300281 702691810 /nfs/dbraw/zinc/69/18/10/702691810.db2.gz LEWSBTGWKJQOPQ-HOCLYGCPSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H]1C[N@H+](CCCF)CC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942209327 702715618 /nfs/dbraw/zinc/71/56/18/702715618.db2.gz VPNNNUSZHXPPIP-OCCSQVGLSA-N 2 1 326.416 1.536 20 0 EDADMP C[C@@H]1C[N@@H+](CCCF)CC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942209327 702715620 /nfs/dbraw/zinc/71/56/20/702715620.db2.gz VPNNNUSZHXPPIP-OCCSQVGLSA-N 2 1 326.416 1.536 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)co1 ZINC000996517667 702853066 /nfs/dbraw/zinc/85/30/66/702853066.db2.gz GGIWFYQPKWAZEI-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)co1 ZINC000996517667 702853068 /nfs/dbraw/zinc/85/30/68/702853068.db2.gz GGIWFYQPKWAZEI-GOEBONIOSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)co1 ZINC000996521457 702857143 /nfs/dbraw/zinc/85/71/43/702857143.db2.gz SFDWGQXORIXJLX-OAHLLOKOSA-N 2 1 332.448 1.405 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cnnn3CC)CC2)CC[N@H+]1C ZINC000996602791 702905390 /nfs/dbraw/zinc/90/53/90/702905390.db2.gz GOYMERFRNFXWMV-DLBZAZTESA-N 2 1 348.495 1.109 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3nc(C4CC4)no3)CC2)CC[N@@H+]1C ZINC000996607234 702910672 /nfs/dbraw/zinc/91/06/72/702910672.db2.gz LPRFAQJGNYVYSU-IUODEOHRSA-N 2 1 347.463 1.368 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3nc(C4CC4)no3)CC2)CC[N@H+]1C ZINC000996607234 702910675 /nfs/dbraw/zinc/91/06/75/702910675.db2.gz LPRFAQJGNYVYSU-IUODEOHRSA-N 2 1 347.463 1.368 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC000996605457 702915009 /nfs/dbraw/zinc/91/50/09/702915009.db2.gz FITIINDXYXOFKY-RHSMWYFYSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1 ZINC000996611680 702916978 /nfs/dbraw/zinc/91/69/78/702916978.db2.gz NPTUUEOPYNBFEO-HOTGVXAUSA-N 2 1 334.464 1.587 20 0 EDADMP COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)c1 ZINC000996609042 702920092 /nfs/dbraw/zinc/92/00/92/702920092.db2.gz IKLMOPAXLGGLAI-FUHWJXTLSA-N 2 1 345.487 1.974 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)sn1 ZINC000996618546 702925165 /nfs/dbraw/zinc/92/51/65/702925165.db2.gz XPNZNMFHGXSLKC-ZFWWWQNUSA-N 2 1 336.505 1.730 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000996692950 702989996 /nfs/dbraw/zinc/98/99/96/702989996.db2.gz GZIJARXXMVUWLD-INIZCTEOSA-N 2 1 337.468 1.299 20 0 EDADMP Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000996695856 702992333 /nfs/dbraw/zinc/99/23/33/702992333.db2.gz HSUFIWIRXFRBPO-IAGOWNOFSA-N 2 1 339.443 1.997 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000996800852 703087212 /nfs/dbraw/zinc/08/72/12/703087212.db2.gz JJVLURYRYFBJEY-SFHVURJKSA-N 2 1 348.491 1.713 20 0 EDADMP COc1ccnc(C[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)c1 ZINC000996797732 703089895 /nfs/dbraw/zinc/08/98/95/703089895.db2.gz JIOSIDIGJORSGM-UHFFFAOYSA-N 2 1 343.431 1.376 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3ccnn3C)CC2)C1 ZINC000996902108 703176819 /nfs/dbraw/zinc/17/68/19/703176819.db2.gz DGMNKYCKFUJZMA-INIZCTEOSA-N 2 1 347.507 1.623 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000996924540 703198571 /nfs/dbraw/zinc/19/85/71/703198571.db2.gz WMPNYADMJGYEKB-JSGCOSHPSA-N 2 1 335.452 1.189 20 0 EDADMP CCn1ccnc1CN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000996978795 703234108 /nfs/dbraw/zinc/23/41/08/703234108.db2.gz JSGDYFWALCKVJJ-WBVHZDCISA-N 2 1 347.507 1.714 20 0 EDADMP CCn1ccnc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000996978795 703234112 /nfs/dbraw/zinc/23/41/12/703234112.db2.gz JSGDYFWALCKVJJ-WBVHZDCISA-N 2 1 347.507 1.714 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([NH2+]CC[C@@H]3CCCO3)CC2)C1 ZINC000996999391 703256220 /nfs/dbraw/zinc/25/62/20/703256220.db2.gz NZSKJVACCRBUCV-KRWDZBQOSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)C1 ZINC000997004608 703261525 /nfs/dbraw/zinc/26/15/25/703261525.db2.gz FNXIQNYDULHDGY-HNNXBMFYSA-N 2 1 345.491 1.252 20 0 EDADMP Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997009002 703263291 /nfs/dbraw/zinc/26/32/91/703263291.db2.gz NUXUFEJNJWVODH-RDTXWAMCSA-N 2 1 330.476 1.668 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000997009124 703269725 /nfs/dbraw/zinc/26/97/25/703269725.db2.gz OTDCDTWFYHGGLQ-XJKSGUPXSA-N 2 1 336.505 1.464 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)ncn1 ZINC000997010916 703270868 /nfs/dbraw/zinc/27/08/68/703270868.db2.gz UQNLFHCBIJUDAK-GUYCJALGSA-N 2 1 331.464 1.063 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000997054537 703306931 /nfs/dbraw/zinc/30/69/31/703306931.db2.gz SUBJBJPNGPELDN-UHFFFAOYSA-N 2 1 348.476 1.639 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(C)(C)C)n1 ZINC001032408969 703438234 /nfs/dbraw/zinc/43/82/34/703438234.db2.gz QMVYMZZXBFMVST-HOTGVXAUSA-N 2 1 347.507 1.780 20 0 EDADMP CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997177242 703461622 /nfs/dbraw/zinc/46/16/22/703461622.db2.gz NMTNFJPHNNGJST-BFYDXBDKSA-N 2 1 325.497 1.722 20 0 EDADMP CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997177242 703461623 /nfs/dbraw/zinc/46/16/23/703461623.db2.gz NMTNFJPHNNGJST-BFYDXBDKSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)c1csnn1 ZINC000997182003 703466839 /nfs/dbraw/zinc/46/68/39/703466839.db2.gz FQKNJDSGOOANKG-CHWSQXEVSA-N 2 1 337.493 1.522 20 0 EDADMP CCn1ccnc1C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997183591 703468825 /nfs/dbraw/zinc/46/88/25/703468825.db2.gz LDKJMYKKMHUSHL-HNNXBMFYSA-N 2 1 333.480 1.325 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997185832 703474982 /nfs/dbraw/zinc/47/49/82/703474982.db2.gz SKQJNLZEBOKDIW-CQSZACIVSA-N 2 1 348.495 1.351 20 0 EDADMP CCc1cc(NC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nc(C)n1 ZINC001060824979 703554488 /nfs/dbraw/zinc/55/44/88/703554488.db2.gz MKSYAGYJXNRMIG-HOCLYGCPSA-N 2 1 331.464 1.702 20 0 EDADMP CCc1cc(NC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001060824979 703554490 /nfs/dbraw/zinc/55/44/90/703554490.db2.gz MKSYAGYJXNRMIG-HOCLYGCPSA-N 2 1 331.464 1.702 20 0 EDADMP COc1ccc(F)cc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997297003 703555775 /nfs/dbraw/zinc/55/57/75/703555775.db2.gz CJPMOJQXQASRBH-CQSZACIVSA-N 2 1 349.450 1.867 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997297366 703555830 /nfs/dbraw/zinc/55/58/30/703555830.db2.gz FIZUHBVBISGHKA-HNNXBMFYSA-N 2 1 332.448 1.123 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000997309432 703566911 /nfs/dbraw/zinc/56/69/11/703566911.db2.gz KPUUMIFEEPEQGZ-GOSISDBHSA-N 2 1 348.491 1.713 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997359174 703589747 /nfs/dbraw/zinc/58/97/47/703589747.db2.gz GEBIDZIYTHEILY-IYBDPMFKSA-N 2 1 333.480 1.337 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccnn1C ZINC001032433253 703602391 /nfs/dbraw/zinc/60/23/91/703602391.db2.gz MKNJAMRDBTYKGQ-BZSNNMDCSA-N 2 1 345.491 1.122 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccnn1C ZINC001032433253 703602392 /nfs/dbraw/zinc/60/23/92/703602392.db2.gz MKNJAMRDBTYKGQ-BZSNNMDCSA-N 2 1 345.491 1.122 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccnn1C ZINC001032433253 703602394 /nfs/dbraw/zinc/60/23/94/703602394.db2.gz MKNJAMRDBTYKGQ-BZSNNMDCSA-N 2 1 345.491 1.122 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccnn1C ZINC001032433253 703602396 /nfs/dbraw/zinc/60/23/96/703602396.db2.gz MKNJAMRDBTYKGQ-BZSNNMDCSA-N 2 1 345.491 1.122 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCOC1CCC1 ZINC001032493041 703774919 /nfs/dbraw/zinc/77/49/19/703774919.db2.gz JBNQBAPQMZINEG-LNLFQRSKSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC1CCC1 ZINC001032493041 703774920 /nfs/dbraw/zinc/77/49/20/703774920.db2.gz JBNQBAPQMZINEG-LNLFQRSKSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC1CCC1 ZINC001032493041 703774921 /nfs/dbraw/zinc/77/49/21/703774921.db2.gz JBNQBAPQMZINEG-LNLFQRSKSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032493041 703774922 /nfs/dbraw/zinc/77/49/22/703774922.db2.gz JBNQBAPQMZINEG-LNLFQRSKSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032493041 703774924 /nfs/dbraw/zinc/77/49/24/703774924.db2.gz JBNQBAPQMZINEG-LNLFQRSKSA-N 2 1 349.519 1.961 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nn1C ZINC000997606486 703899599 /nfs/dbraw/zinc/89/95/99/703899599.db2.gz LLKPMVSFZAGNOL-QGZVFWFLSA-N 2 1 333.480 1.151 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CC3CCCC3)C2)C1 ZINC000999291600 706785520 /nfs/dbraw/zinc/78/55/20/706785520.db2.gz DCCVZBNWJWIYOS-DAWZGUTISA-N 2 1 337.508 1.865 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CC3CCCC3)C2)C1 ZINC000999291600 706785522 /nfs/dbraw/zinc/78/55/22/706785522.db2.gz DCCVZBNWJWIYOS-DAWZGUTISA-N 2 1 337.508 1.865 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]2CC1 ZINC000946586590 704119846 /nfs/dbraw/zinc/11/98/46/704119846.db2.gz NWVXOHUUBFXOTJ-WNRNVDISSA-N 2 1 337.508 1.410 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H](C)O)C[C@H]2CC1 ZINC000946586590 704119847 /nfs/dbraw/zinc/11/98/47/704119847.db2.gz NWVXOHUUBFXOTJ-WNRNVDISSA-N 2 1 337.508 1.410 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H](C)O)C[C@H]2CC1 ZINC000946586590 704119848 /nfs/dbraw/zinc/11/98/48/704119848.db2.gz NWVXOHUUBFXOTJ-WNRNVDISSA-N 2 1 337.508 1.410 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC001033083292 704141231 /nfs/dbraw/zinc/14/12/31/704141231.db2.gz WXSIRXPVUMPLDU-WBVHZDCISA-N 2 1 348.516 1.826 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC001033083292 704141232 /nfs/dbraw/zinc/14/12/32/704141232.db2.gz WXSIRXPVUMPLDU-WBVHZDCISA-N 2 1 348.516 1.826 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033080659 704147358 /nfs/dbraw/zinc/14/73/58/704147358.db2.gz HYAGODVPQCPZTG-JKSUJKDBSA-N 2 1 332.448 1.358 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033080659 704147361 /nfs/dbraw/zinc/14/73/61/704147361.db2.gz HYAGODVPQCPZTG-JKSUJKDBSA-N 2 1 332.448 1.358 20 0 EDADMP CCO[C@@H](C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)C[NH+](C)C ZINC000922757237 704316920 /nfs/dbraw/zinc/31/69/20/704316920.db2.gz XGPIXWRIGPNYSG-CSLYMUCUSA-N 2 1 341.496 1.942 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000999307417 706807549 /nfs/dbraw/zinc/80/75/49/706807549.db2.gz OFBAMEKGZIVDCC-RDJZCZTQSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000999307417 706807553 /nfs/dbraw/zinc/80/75/53/706807553.db2.gz OFBAMEKGZIVDCC-RDJZCZTQSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000999310378 706813274 /nfs/dbraw/zinc/81/32/74/706813274.db2.gz XXQULHNBDNEDHB-ZWKOTPCHSA-N 2 1 347.507 1.418 20 0 EDADMP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004436658 704411189 /nfs/dbraw/zinc/41/11/89/704411189.db2.gz HBIYEDVTRHYDEF-RBUKOAKNSA-N 2 1 349.519 1.414 20 0 EDADMP C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004456873 704450254 /nfs/dbraw/zinc/45/02/54/704450254.db2.gz ICYZYQVHJCDVGP-CRAIPNDOSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H](O)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001004456873 704450256 /nfs/dbraw/zinc/45/02/56/704450256.db2.gz ICYZYQVHJCDVGP-CRAIPNDOSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H](O)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001004456873 704450257 /nfs/dbraw/zinc/45/02/57/704450257.db2.gz ICYZYQVHJCDVGP-CRAIPNDOSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](CCCO)CC1 ZINC000997729691 704626515 /nfs/dbraw/zinc/62/65/15/704626515.db2.gz QWYUZNGGPGOPJH-ZOBUZTSGSA-N 2 1 325.497 1.316 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3cnns3)CC2)CC[N@H+]1C ZINC000997793054 704699486 /nfs/dbraw/zinc/69/94/86/704699486.db2.gz KTXAASPYPMVYGD-IUODEOHRSA-N 2 1 337.493 1.207 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000997792093 704700389 /nfs/dbraw/zinc/70/03/89/704700389.db2.gz FXSMDYADVWYDQO-WOSRLPQWSA-N 2 1 349.479 1.607 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997838402 704755572 /nfs/dbraw/zinc/75/55/72/704755572.db2.gz BZUALLUAYJSMTK-INIZCTEOSA-N 2 1 335.452 1.272 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3ccccc3)CC2)O1 ZINC000997854390 704766299 /nfs/dbraw/zinc/76/62/99/704766299.db2.gz CUJFQSBOHUHENX-VQIMIIECSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3ccccc3)CC2)O1 ZINC000997854390 704766301 /nfs/dbraw/zinc/76/63/01/704766301.db2.gz CUJFQSBOHUHENX-VQIMIIECSA-N 2 1 345.487 1.734 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997859269 704768292 /nfs/dbraw/zinc/76/82/92/704768292.db2.gz KNZRDTJDIFMVPE-IAGOWNOFSA-N 2 1 347.463 1.415 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000997863602 704770466 /nfs/dbraw/zinc/77/04/66/704770466.db2.gz BFWMKBMWJDBDOT-OAHLLOKOSA-N 2 1 337.493 1.351 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000997863602 704770467 /nfs/dbraw/zinc/77/04/67/704770467.db2.gz BFWMKBMWJDBDOT-OAHLLOKOSA-N 2 1 337.493 1.351 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)s1 ZINC000944919517 704771430 /nfs/dbraw/zinc/77/14/30/704771430.db2.gz OQAWHXISVDDAPF-ZFWWWQNUSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)co1 ZINC000997868991 704774643 /nfs/dbraw/zinc/77/46/43/704774643.db2.gz XTQWTFLTRNFHKO-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)co1 ZINC000997868991 704774645 /nfs/dbraw/zinc/77/46/45/704774645.db2.gz XTQWTFLTRNFHKO-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)sn1 ZINC000944943713 704796149 /nfs/dbraw/zinc/79/61/49/704796149.db2.gz JTXXNSOBNVIBAN-XJKSGUPXSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944945601 704798526 /nfs/dbraw/zinc/79/85/26/704798526.db2.gz SKDKCONWUDKWNF-GDBMZVCRSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCOCC2)C[C@@H]1C ZINC000944964913 704834000 /nfs/dbraw/zinc/83/40/00/704834000.db2.gz NCJYKANUFDQBLA-MAUKXSAKSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCC2CCOCC2)C[C@@H]1C ZINC000944964913 704834005 /nfs/dbraw/zinc/83/40/05/704834005.db2.gz NCJYKANUFDQBLA-MAUKXSAKSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1nccn1CC(=O)N[C@H]1CC[N@H+](Cc2cncc(C)c2)C[C@H]1C ZINC000944966423 704838820 /nfs/dbraw/zinc/83/88/20/704838820.db2.gz ZNTIAMXMOREGOJ-QAPCUYQASA-N 2 1 341.459 1.922 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cncc(C)c2)C[C@H]1C ZINC000944966423 704838824 /nfs/dbraw/zinc/83/88/24/704838824.db2.gz ZNTIAMXMOREGOJ-QAPCUYQASA-N 2 1 341.459 1.922 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]Cc3ncccn3)CC2)CC[N@H+]1C ZINC000998003881 705164840 /nfs/dbraw/zinc/16/48/40/705164840.db2.gz DOSYMDJXJVJWSI-RDJZCZTQSA-N 2 1 345.491 1.535 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000998076565 705296294 /nfs/dbraw/zinc/29/62/94/705296294.db2.gz ACDVQJHOLUUFIU-SUMWQHHRSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998076593 705296413 /nfs/dbraw/zinc/29/64/13/705296413.db2.gz AKVFCQRRAQQWFG-WMLDXEAASA-N 2 1 345.491 1.311 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1)c1ncccn1 ZINC000998080928 705300578 /nfs/dbraw/zinc/30/05/78/705300578.db2.gz GANDZROZJOGLGV-CVEARBPZSA-N 2 1 345.491 1.708 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1)c1cnccn1 ZINC000998081986 705308488 /nfs/dbraw/zinc/30/84/88/705308488.db2.gz MZXZGIXHKXRURU-JKSUJKDBSA-N 2 1 345.491 1.850 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000998082198 705308652 /nfs/dbraw/zinc/30/86/52/705308652.db2.gz OHFBGAZYARWPED-HNNXBMFYSA-N 2 1 348.466 1.891 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998098285 705338899 /nfs/dbraw/zinc/33/88/99/705338899.db2.gz OPRJKWXWMJQJFN-YESZJQIVSA-N 2 1 325.497 1.412 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH+](CCO)CC1 ZINC000998098285 705338904 /nfs/dbraw/zinc/33/89/04/705338904.db2.gz OPRJKWXWMJQJFN-YESZJQIVSA-N 2 1 325.497 1.412 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH+](CCO)CC1 ZINC000998098285 705338909 /nfs/dbraw/zinc/33/89/09/705338909.db2.gz OPRJKWXWMJQJFN-YESZJQIVSA-N 2 1 325.497 1.412 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H](O)C2CCCCC2)CC1 ZINC001032603043 705421904 /nfs/dbraw/zinc/42/19/04/705421904.db2.gz MNGUGYIBMKQHTH-FHWLQOOXSA-N 2 1 349.519 1.555 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000998190456 705496165 /nfs/dbraw/zinc/49/61/65/705496165.db2.gz PYTPTIVLGOCAHK-ZWKOTPCHSA-N 2 1 347.507 1.538 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000998190456 705496170 /nfs/dbraw/zinc/49/61/70/705496170.db2.gz PYTPTIVLGOCAHK-ZWKOTPCHSA-N 2 1 347.507 1.538 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000998190456 705496173 /nfs/dbraw/zinc/49/61/73/705496173.db2.gz PYTPTIVLGOCAHK-ZWKOTPCHSA-N 2 1 347.507 1.538 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC000998215484 705535980 /nfs/dbraw/zinc/53/59/80/705535980.db2.gz AFRXEVFWKHFRSK-MSOLQXFVSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998216753 705538990 /nfs/dbraw/zinc/53/89/90/705538990.db2.gz KMJVZEYLGHSLNZ-BBRMVZONSA-N 2 1 349.479 1.609 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]Cc3ccccn3)CC2)C1 ZINC000998217294 705539831 /nfs/dbraw/zinc/53/98/31/705539831.db2.gz ORCPIZWGONYBBD-KRWDZBQOSA-N 2 1 330.476 1.752 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3coc(C4CC4)n3)CC2)C1 ZINC000998265424 705631939 /nfs/dbraw/zinc/63/19/39/705631939.db2.gz MHSFPWLZXVIFDN-MRXNPFEDSA-N 2 1 346.475 1.832 20 0 EDADMP COc1cccc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000998266214 705638186 /nfs/dbraw/zinc/63/81/86/705638186.db2.gz PGMZBVKWXPTHQW-SFHVURJKSA-N 2 1 345.487 1.975 20 0 EDADMP Cc1csc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998268079 705640131 /nfs/dbraw/zinc/64/01/31/705640131.db2.gz ASIMUOLOPLCJBG-OAHLLOKOSA-N 2 1 336.505 1.731 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]C(C)C)C1 ZINC000998312315 705725706 /nfs/dbraw/zinc/72/57/06/705725706.db2.gz JKKWPTZHPZUKJQ-QWHCGFSZSA-N 2 1 332.370 1.969 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]C(C)C)C1 ZINC000998312312 705725747 /nfs/dbraw/zinc/72/57/47/705725747.db2.gz JKKWPTZHPZUKJQ-CHWSQXEVSA-N 2 1 332.370 1.969 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1cnn(CC)c1)[NH+](C)C ZINC001032634097 705869611 /nfs/dbraw/zinc/86/96/11/705869611.db2.gz FIRSJSULGFPZTH-ULQDDVLXSA-N 2 1 333.480 1.071 20 0 EDADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1cnn(CC)c1)[NH+](C)C ZINC001032634097 705869615 /nfs/dbraw/zinc/86/96/15/705869615.db2.gz FIRSJSULGFPZTH-ULQDDVLXSA-N 2 1 333.480 1.071 20 0 EDADMP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)sc1C ZINC000998548380 705983833 /nfs/dbraw/zinc/98/38/33/705983833.db2.gz HEIXDJGOBDIGSL-YMAMQOFZSA-N 2 1 336.505 1.933 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000998553351 705991204 /nfs/dbraw/zinc/99/12/04/705991204.db2.gz WIXSKLBWAIVZPU-JXQTWKCFSA-N 2 1 335.452 1.366 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000998553351 705991207 /nfs/dbraw/zinc/99/12/07/705991207.db2.gz WIXSKLBWAIVZPU-JXQTWKCFSA-N 2 1 335.452 1.366 20 0 EDADMP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)sn1 ZINC000998553381 705991304 /nfs/dbraw/zinc/99/13/04/705991304.db2.gz WMYWIOFRSSPAHI-ORHYLEIMSA-N 2 1 338.477 1.325 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC([NH2+]CCc2cccs2)C1 ZINC000998583771 706020426 /nfs/dbraw/zinc/02/04/26/706020426.db2.gz UWBCTCILKFOVBT-ZBCRRDGASA-N 2 1 337.489 1.200 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CCc2cccs2)C1 ZINC000998583771 706020430 /nfs/dbraw/zinc/02/04/30/706020430.db2.gz UWBCTCILKFOVBT-ZBCRRDGASA-N 2 1 337.489 1.200 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)sc1C ZINC000998724445 706156520 /nfs/dbraw/zinc/15/65/20/706156520.db2.gz UEHPVZQFKRWMPC-GJZGRUSLSA-N 2 1 336.505 1.935 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)no1 ZINC000998781892 706223061 /nfs/dbraw/zinc/22/30/61/706223061.db2.gz YLOSPZXQFUOVJN-BDVYOWHSSA-N 2 1 332.448 1.404 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cnnn3CC)C2)CC[N@H+]1C ZINC000998792959 706239918 /nfs/dbraw/zinc/23/99/18/706239918.db2.gz GSVJEPGHZIQOTD-YQEWQEHLSA-N 2 1 348.495 1.107 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC000998831256 706260963 /nfs/dbraw/zinc/26/09/63/706260963.db2.gz ZZCVZVMDJDTWEX-ZWKOTPCHSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC000998831256 706260965 /nfs/dbraw/zinc/26/09/65/706260965.db2.gz ZZCVZVMDJDTWEX-ZWKOTPCHSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1cc(F)ccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998831024 706261145 /nfs/dbraw/zinc/26/11/45/706261145.db2.gz YVQNPNMBZYUTOT-MSOLQXFVSA-N 2 1 349.450 1.545 20 0 EDADMP Cc1cc(F)ccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998831024 706261147 /nfs/dbraw/zinc/26/11/47/706261147.db2.gz YVQNPNMBZYUTOT-MSOLQXFVSA-N 2 1 349.450 1.545 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccns3)C[C@H]2CC1 ZINC000946517168 706519408 /nfs/dbraw/zinc/51/94/08/706519408.db2.gz AKTLBULEPLKIHY-UXLLHSPISA-N 2 1 348.516 1.908 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccns3)C[C@H]2CC1 ZINC000946517168 706519410 /nfs/dbraw/zinc/51/94/10/706519410.db2.gz AKTLBULEPLKIHY-UXLLHSPISA-N 2 1 348.516 1.908 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccns3)C[C@H]2CC1 ZINC000946517168 706519413 /nfs/dbraw/zinc/51/94/13/706519413.db2.gz AKTLBULEPLKIHY-UXLLHSPISA-N 2 1 348.516 1.908 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cncs3)C[C@H]2CC1 ZINC000946517585 706531594 /nfs/dbraw/zinc/53/15/94/706531594.db2.gz JCGVMIJMNCCUBY-UXLLHSPISA-N 2 1 348.516 1.908 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cncs3)C[C@H]2CC1 ZINC000946517585 706531597 /nfs/dbraw/zinc/53/15/97/706531597.db2.gz JCGVMIJMNCCUBY-UXLLHSPISA-N 2 1 348.516 1.908 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cncs3)C[C@H]2CC1 ZINC000946517585 706531599 /nfs/dbraw/zinc/53/15/99/706531599.db2.gz JCGVMIJMNCCUBY-UXLLHSPISA-N 2 1 348.516 1.908 20 0 EDADMP COc1cccc(C[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)c1 ZINC000999124493 706548707 /nfs/dbraw/zinc/54/87/07/706548707.db2.gz DBKGGHNJTJDRNS-UHFFFAOYSA-N 2 1 342.443 1.979 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2cncc(C)c2)C1 ZINC000999124461 706548909 /nfs/dbraw/zinc/54/89/09/706548909.db2.gz CLVKDDWHXLOJFM-UHFFFAOYSA-N 2 1 327.432 1.674 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nn1C ZINC000999145944 706559558 /nfs/dbraw/zinc/55/95/58/706559558.db2.gz TZOINRJFVXTOQL-AEFFLSMTSA-N 2 1 347.507 1.682 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000999354183 706843170 /nfs/dbraw/zinc/84/31/70/706843170.db2.gz PMUKDVZKLDWEEB-DOTOQJQBSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000999354183 706843171 /nfs/dbraw/zinc/84/31/71/706843171.db2.gz PMUKDVZKLDWEEB-DOTOQJQBSA-N 2 1 348.495 1.159 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC000999364328 706878031 /nfs/dbraw/zinc/87/80/31/706878031.db2.gz MBIQMRUQBLONMF-OAHLLOKOSA-N 2 1 347.463 1.050 20 0 EDADMP COc1nccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000999366780 706880384 /nfs/dbraw/zinc/88/03/84/706880384.db2.gz ZUNWAYNWWFVLHP-OAHLLOKOSA-N 2 1 347.463 1.050 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]CCc3ccns3)C2)C1 ZINC000999408394 706918089 /nfs/dbraw/zinc/91/80/89/706918089.db2.gz KALXZQNTJHNDDB-WLYUNCDWSA-N 2 1 336.505 1.606 20 0 EDADMP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000999409231 706919243 /nfs/dbraw/zinc/91/92/43/706919243.db2.gz QCBRBULLOIQKAZ-UHFFFAOYSA-N 2 1 334.464 1.794 20 0 EDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999505091 707002345 /nfs/dbraw/zinc/00/23/45/707002345.db2.gz HJJKTQFPPNKEIQ-DAWZGUTISA-N 2 1 347.507 1.762 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC000999515042 707014146 /nfs/dbraw/zinc/01/41/46/707014146.db2.gz WWEZZSLHBIOHHL-HOTGVXAUSA-N 2 1 347.463 1.050 20 0 EDADMP Cc1nc(NC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC001060880114 707023558 /nfs/dbraw/zinc/02/35/58/707023558.db2.gz VUQKXDJGIJFLHW-HOTGVXAUSA-N 2 1 331.464 1.614 20 0 EDADMP Cc1nc(NC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC001060880114 707023562 /nfs/dbraw/zinc/02/35/62/707023562.db2.gz VUQKXDJGIJFLHW-HOTGVXAUSA-N 2 1 331.464 1.614 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC3CC4(CCC4)C3)C2)O1 ZINC000999493364 707029867 /nfs/dbraw/zinc/02/98/67/707029867.db2.gz DYKSERIHZFXQDX-BPQIPLTHSA-N 2 1 349.519 1.866 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC3CC4(CCC4)C3)C2)O1 ZINC000999493364 707029869 /nfs/dbraw/zinc/02/98/69/707029869.db2.gz DYKSERIHZFXQDX-BPQIPLTHSA-N 2 1 349.519 1.866 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC(NCc2nnc(C3CC3)o2)C1 ZINC000999682300 707167730 /nfs/dbraw/zinc/16/77/30/707167730.db2.gz NOXVWRGRIRRXOC-LRVUVFPRSA-N 2 1 347.463 1.368 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999682300 707167731 /nfs/dbraw/zinc/16/77/31/707167731.db2.gz NOXVWRGRIRRXOC-LRVUVFPRSA-N 2 1 347.463 1.368 20 0 EDADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999682300 707167733 /nfs/dbraw/zinc/16/77/33/707167733.db2.gz NOXVWRGRIRRXOC-LRVUVFPRSA-N 2 1 347.463 1.368 20 0 EDADMP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999687763 707241407 /nfs/dbraw/zinc/24/14/07/707241407.db2.gz JHBHTJLYDIRWBH-WWDZGPRUSA-N 2 1 347.507 1.421 20 0 EDADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779626 707244365 /nfs/dbraw/zinc/24/43/65/707244365.db2.gz QWDXDXJCFOIDOY-XLAORIBOSA-N 2 1 337.508 1.676 20 0 EDADMP CO[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779626 707244369 /nfs/dbraw/zinc/24/43/69/707244369.db2.gz QWDXDXJCFOIDOY-XLAORIBOSA-N 2 1 337.508 1.676 20 0 EDADMP CO[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779626 707244373 /nfs/dbraw/zinc/24/43/73/707244373.db2.gz QWDXDXJCFOIDOY-XLAORIBOSA-N 2 1 337.508 1.676 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000999733001 707277821 /nfs/dbraw/zinc/27/78/21/707277821.db2.gz SDXLCWZOIWWNBF-HOTGVXAUSA-N 2 1 346.475 1.379 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)no1 ZINC000999791260 707362588 /nfs/dbraw/zinc/36/25/88/707362588.db2.gz JYJMECGGXZKKQA-FUHWJXTLSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)s1 ZINC000999838214 707409711 /nfs/dbraw/zinc/40/97/11/707409711.db2.gz UHSYAMXLGLPUTQ-WLYUNCDWSA-N 2 1 336.505 1.791 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297698 707412374 /nfs/dbraw/zinc/41/23/74/707412374.db2.gz RGXHAUYYCRRIEN-AEFFLSMTSA-N 2 1 347.503 1.972 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)s1 ZINC001033199015 707464994 /nfs/dbraw/zinc/46/49/94/707464994.db2.gz OZSKAJDIRBGJJF-HOCLYGCPSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)s1 ZINC001033199015 707464998 /nfs/dbraw/zinc/46/49/98/707464998.db2.gz OZSKAJDIRBGJJF-HOCLYGCPSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)s1 ZINC001033199015 707465000 /nfs/dbraw/zinc/46/50/00/707465000.db2.gz OZSKAJDIRBGJJF-HOCLYGCPSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)s1 ZINC001033199015 707465006 /nfs/dbraw/zinc/46/50/06/707465006.db2.gz OZSKAJDIRBGJJF-HOCLYGCPSA-N 2 1 336.505 1.969 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)nn1 ZINC000999886437 707476069 /nfs/dbraw/zinc/47/60/69/707476069.db2.gz WIDGCHZYVOPFOP-HNNXBMFYSA-N 2 1 348.495 1.253 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000948706097 707497025 /nfs/dbraw/zinc/49/70/25/707497025.db2.gz UCBUFEKKDFEWFB-IRXDYDNUSA-N 2 1 325.497 1.817 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000948706097 707497027 /nfs/dbraw/zinc/49/70/27/707497027.db2.gz UCBUFEKKDFEWFB-IRXDYDNUSA-N 2 1 325.497 1.817 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](C(C)C)CC2)C1 ZINC000948706097 707497029 /nfs/dbraw/zinc/49/70/29/707497029.db2.gz UCBUFEKKDFEWFB-IRXDYDNUSA-N 2 1 325.497 1.817 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000948706097 707497030 /nfs/dbraw/zinc/49/70/30/707497030.db2.gz UCBUFEKKDFEWFB-IRXDYDNUSA-N 2 1 325.497 1.817 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999871402 707515191 /nfs/dbraw/zinc/51/51/91/707515191.db2.gz KEIYPHNZUODNHP-AWEZNQCLSA-N 2 1 335.452 1.333 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccnn3C)C2)CC[N@@H+]1C ZINC001033361415 707646025 /nfs/dbraw/zinc/64/60/25/707646025.db2.gz MWGAOHKSQDODTB-JYJNAYRXSA-N 2 1 333.480 1.183 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccnn3C)C2)CC[N@H+]1C ZINC001033361415 707646026 /nfs/dbraw/zinc/64/60/26/707646026.db2.gz MWGAOHKSQDODTB-JYJNAYRXSA-N 2 1 333.480 1.183 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccnn3C)C2)CC[NH+]1C ZINC001033361415 707646027 /nfs/dbraw/zinc/64/60/27/707646027.db2.gz MWGAOHKSQDODTB-JYJNAYRXSA-N 2 1 333.480 1.183 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccnn3C)C2)CC[NH+]1C ZINC001033361415 707646028 /nfs/dbraw/zinc/64/60/28/707646028.db2.gz MWGAOHKSQDODTB-JYJNAYRXSA-N 2 1 333.480 1.183 20 0 EDADMP CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)nn2)C1 ZINC000999992795 707669313 /nfs/dbraw/zinc/66/93/13/707669313.db2.gz QJCVVXLAMIQIOQ-WBVHZDCISA-N 2 1 348.495 1.139 20 0 EDADMP CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)nn2)C1 ZINC000999992795 707669317 /nfs/dbraw/zinc/66/93/17/707669317.db2.gz QJCVVXLAMIQIOQ-WBVHZDCISA-N 2 1 348.495 1.139 20 0 EDADMP CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)nn2)C1 ZINC000999992795 707669322 /nfs/dbraw/zinc/66/93/22/707669322.db2.gz QJCVVXLAMIQIOQ-WBVHZDCISA-N 2 1 348.495 1.139 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cnn(C)c3)C2)C1 ZINC001033355276 707669474 /nfs/dbraw/zinc/66/94/74/707669474.db2.gz WUESPUZHQOOFBN-ROUUACIJSA-N 2 1 347.507 1.575 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cnn(C)c3)C2)C1 ZINC001033355276 707669480 /nfs/dbraw/zinc/66/94/80/707669480.db2.gz WUESPUZHQOOFBN-ROUUACIJSA-N 2 1 347.507 1.575 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cnn(C)c3)C2)C1 ZINC001033355276 707669481 /nfs/dbraw/zinc/66/94/81/707669481.db2.gz WUESPUZHQOOFBN-ROUUACIJSA-N 2 1 347.507 1.575 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)C1 ZINC001033355276 707669485 /nfs/dbraw/zinc/66/94/85/707669485.db2.gz WUESPUZHQOOFBN-ROUUACIJSA-N 2 1 347.507 1.575 20 0 EDADMP C[C@H]([NH2+]CC1CCC1)[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001004964620 707794031 /nfs/dbraw/zinc/79/40/31/707794031.db2.gz MOSHXPRIPDXQIT-FUHWJXTLSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1conc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004983958 707830109 /nfs/dbraw/zinc/83/01/09/707830109.db2.gz SLJPOUNVWQCCAS-RDJZCZTQSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)s1 ZINC001033421103 707832520 /nfs/dbraw/zinc/83/25/20/707832520.db2.gz VGYPTEXMGFLPIP-UKRRQHHQSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)s1 ZINC001033421103 707832523 /nfs/dbraw/zinc/83/25/23/707832523.db2.gz VGYPTEXMGFLPIP-UKRRQHHQSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)s1 ZINC001033421103 707832526 /nfs/dbraw/zinc/83/25/26/707832526.db2.gz VGYPTEXMGFLPIP-UKRRQHHQSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)s1 ZINC001033421103 707832529 /nfs/dbraw/zinc/83/25/29/707832529.db2.gz VGYPTEXMGFLPIP-UKRRQHHQSA-N 2 1 336.505 1.826 20 0 EDADMP CN(C)C(=O)c1cccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000921720837 707904063 /nfs/dbraw/zinc/90/40/63/707904063.db2.gz MJJSTCLNZPMZIX-SFHVURJKSA-N 2 1 333.476 1.715 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033476316 707937079 /nfs/dbraw/zinc/93/70/79/707937079.db2.gz VJRPKLNDVVMUTJ-MRXNPFEDSA-N 2 1 333.480 1.185 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033476316 707937082 /nfs/dbraw/zinc/93/70/82/707937082.db2.gz VJRPKLNDVVMUTJ-MRXNPFEDSA-N 2 1 333.480 1.185 20 0 EDADMP COc1ccc(C)cc1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032781223 707966457 /nfs/dbraw/zinc/96/64/57/707966457.db2.gz OFGRVUZOHCWILZ-NJAFHUGGSA-N 2 1 343.471 1.740 20 0 EDADMP COc1ccc(C)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032781223 707966461 /nfs/dbraw/zinc/96/64/61/707966461.db2.gz OFGRVUZOHCWILZ-NJAFHUGGSA-N 2 1 343.471 1.740 20 0 EDADMP COc1ccc(C)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032781223 707966464 /nfs/dbraw/zinc/96/64/64/707966464.db2.gz OFGRVUZOHCWILZ-NJAFHUGGSA-N 2 1 343.471 1.740 20 0 EDADMP COc1ccc(C)cc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001032781223 707966467 /nfs/dbraw/zinc/96/64/67/707966467.db2.gz OFGRVUZOHCWILZ-NJAFHUGGSA-N 2 1 343.471 1.740 20 0 EDADMP COc1ccc(C)cc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032781223 707966469 /nfs/dbraw/zinc/96/64/69/707966469.db2.gz OFGRVUZOHCWILZ-NJAFHUGGSA-N 2 1 343.471 1.740 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCc2ccsc2)C1 ZINC001032781034 707966567 /nfs/dbraw/zinc/96/65/67/707966567.db2.gz HOBKOBATJABTSR-ULQDDVLXSA-N 2 1 333.501 1.918 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCc2ccsc2)C1 ZINC001032781034 707966570 /nfs/dbraw/zinc/96/65/70/707966570.db2.gz HOBKOBATJABTSR-ULQDDVLXSA-N 2 1 333.501 1.918 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCc2ccsc2)C1 ZINC001032781034 707966575 /nfs/dbraw/zinc/96/65/75/707966575.db2.gz HOBKOBATJABTSR-ULQDDVLXSA-N 2 1 333.501 1.918 20 0 EDADMP Cn1nccc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032801289 708082589 /nfs/dbraw/zinc/08/25/89/708082589.db2.gz OGQDOMYBSNAOKC-ROUUACIJSA-N 2 1 345.491 1.124 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001153618 708108118 /nfs/dbraw/zinc/10/81/18/708108118.db2.gz XMEUVCWUTFQISG-SUMWQHHRSA-N 2 1 346.475 1.737 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001153618 708108121 /nfs/dbraw/zinc/10/81/21/708108121.db2.gz XMEUVCWUTFQISG-SUMWQHHRSA-N 2 1 346.475 1.737 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001153618 708108122 /nfs/dbraw/zinc/10/81/22/708108122.db2.gz XMEUVCWUTFQISG-SUMWQHHRSA-N 2 1 346.475 1.737 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001005183456 708133945 /nfs/dbraw/zinc/13/39/45/708133945.db2.gz IPFJWCLRBPZCST-HUUCEWRRSA-N 2 1 345.434 1.428 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](C/C=C/Cl)CC2)O1 ZINC001001531309 708161758 /nfs/dbraw/zinc/16/17/58/708161758.db2.gz DXCQURYYCRYPIS-YYAKZPHOSA-N 2 1 329.872 1.286 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](C/C=C/Cl)CC2)O1 ZINC001001531309 708161760 /nfs/dbraw/zinc/16/17/60/708161760.db2.gz DXCQURYYCRYPIS-YYAKZPHOSA-N 2 1 329.872 1.286 20 0 EDADMP CN(C)c1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033665938 708449386 /nfs/dbraw/zinc/44/93/86/708449386.db2.gz SKDCURPYSQMLKU-MSOLQXFVSA-N 2 1 344.503 1.737 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033665938 708449388 /nfs/dbraw/zinc/44/93/88/708449388.db2.gz SKDCURPYSQMLKU-MSOLQXFVSA-N 2 1 344.503 1.737 20 0 EDADMP CN(C)c1ccccc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033665938 708449391 /nfs/dbraw/zinc/44/93/91/708449391.db2.gz SKDCURPYSQMLKU-MSOLQXFVSA-N 2 1 344.503 1.737 20 0 EDADMP CCOc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033665781 708449794 /nfs/dbraw/zinc/44/97/94/708449794.db2.gz REDVGCGCEGUECJ-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP CCOc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033665781 708449796 /nfs/dbraw/zinc/44/97/96/708449796.db2.gz REDVGCGCEGUECJ-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP CCOc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001033665781 708449798 /nfs/dbraw/zinc/44/97/98/708449798.db2.gz REDVGCGCEGUECJ-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP CCOc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033665781 708449799 /nfs/dbraw/zinc/44/97/99/708449799.db2.gz REDVGCGCEGUECJ-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP COCc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033666027 708450159 /nfs/dbraw/zinc/45/01/59/708450159.db2.gz UAGICXYBCBTDKZ-OALUTQOASA-N 2 1 345.487 1.817 20 0 EDADMP COCc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001033666027 708450160 /nfs/dbraw/zinc/45/01/60/708450160.db2.gz UAGICXYBCBTDKZ-OALUTQOASA-N 2 1 345.487 1.817 20 0 EDADMP COCc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033666027 708450161 /nfs/dbraw/zinc/45/01/61/708450161.db2.gz UAGICXYBCBTDKZ-OALUTQOASA-N 2 1 345.487 1.817 20 0 EDADMP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033672309 708463854 /nfs/dbraw/zinc/46/38/54/708463854.db2.gz NWDDEZQTLOIMTH-DLBZAZTESA-N 2 1 325.497 1.676 20 0 EDADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033672309 708463855 /nfs/dbraw/zinc/46/38/55/708463855.db2.gz NWDDEZQTLOIMTH-DLBZAZTESA-N 2 1 325.497 1.676 20 0 EDADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001033672309 708463856 /nfs/dbraw/zinc/46/38/56/708463856.db2.gz NWDDEZQTLOIMTH-DLBZAZTESA-N 2 1 325.497 1.676 20 0 EDADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001033672309 708463857 /nfs/dbraw/zinc/46/38/57/708463857.db2.gz NWDDEZQTLOIMTH-DLBZAZTESA-N 2 1 325.497 1.676 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033658798 708469799 /nfs/dbraw/zinc/46/97/99/708469799.db2.gz UPOWRGBBJIPYMT-QZTJIDSGSA-N 2 1 331.460 1.349 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CCOC)C2)o1 ZINC001033698893 708546369 /nfs/dbraw/zinc/54/63/69/708546369.db2.gz FDNIVEAKYRPBEU-HNNXBMFYSA-N 2 1 337.464 1.914 20 0 EDADMP O=C(NCC1CC[NH+](CCOC2CCC2)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001002089225 708597168 /nfs/dbraw/zinc/59/71/68/708597168.db2.gz PAMDTEDRCKNZIL-FQEVSTJZSA-N 2 1 349.519 1.870 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CCN(Cc2nnc(C)o2)CC1 ZINC001002159361 708673406 /nfs/dbraw/zinc/67/34/06/708673406.db2.gz RKUQANNMOHIFSZ-INIZCTEOSA-N 2 1 349.479 1.581 20 0 EDADMP CC[C@H](F)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002138220 708675279 /nfs/dbraw/zinc/67/52/79/708675279.db2.gz JAEUAHZXQPJCFY-HOTGVXAUSA-N 2 1 329.460 1.283 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033829672 708850263 /nfs/dbraw/zinc/85/02/63/708850263.db2.gz AQKPJJBWRZKINC-ZWKOTPCHSA-N 2 1 345.491 1.185 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033829672 708850268 /nfs/dbraw/zinc/85/02/68/708850268.db2.gz AQKPJJBWRZKINC-ZWKOTPCHSA-N 2 1 345.491 1.185 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033830964 708852958 /nfs/dbraw/zinc/85/29/58/708852958.db2.gz QRXVAIDNTKFKFC-HKUYNNGSSA-N 2 1 349.519 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033833121 708857058 /nfs/dbraw/zinc/85/70/58/708857058.db2.gz FOKYURQCZPPPAL-FHLIZLRMSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033833121 708857061 /nfs/dbraw/zinc/85/70/61/708857061.db2.gz FOKYURQCZPPPAL-FHLIZLRMSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033833121 708857066 /nfs/dbraw/zinc/85/70/66/708857066.db2.gz FOKYURQCZPPPAL-FHLIZLRMSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033833121 708857070 /nfs/dbraw/zinc/85/70/70/708857070.db2.gz FOKYURQCZPPPAL-FHLIZLRMSA-N 2 1 348.466 1.984 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033837875 708867589 /nfs/dbraw/zinc/86/75/89/708867589.db2.gz KNLGFLFTTKZARW-IXDOHACOSA-N 2 1 333.480 1.146 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001033838781 708868746 /nfs/dbraw/zinc/86/87/46/708868746.db2.gz ONDDCVALIWQSBR-FRFSOERESA-N 2 1 334.464 1.746 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001033838781 708868749 /nfs/dbraw/zinc/86/87/49/708868749.db2.gz ONDDCVALIWQSBR-FRFSOERESA-N 2 1 334.464 1.746 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033838781 708868756 /nfs/dbraw/zinc/86/87/56/708868756.db2.gz ONDDCVALIWQSBR-FRFSOERESA-N 2 1 334.464 1.746 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033838781 708868759 /nfs/dbraw/zinc/86/87/59/708868759.db2.gz ONDDCVALIWQSBR-FRFSOERESA-N 2 1 334.464 1.746 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](C[C@@H]3CCCOC3)CC2)CC[N@H+]1C ZINC001005407274 708937599 /nfs/dbraw/zinc/93/75/99/708937599.db2.gz OSCNDDBLQPTBOS-SOLBZPMBSA-N 2 1 337.508 1.676 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033922801 709078099 /nfs/dbraw/zinc/07/80/99/709078099.db2.gz OECCZXZGUYIIBQ-GUDVDZBRSA-N 2 1 345.487 1.737 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001033922801 709078101 /nfs/dbraw/zinc/07/81/01/709078101.db2.gz OECCZXZGUYIIBQ-GUDVDZBRSA-N 2 1 345.487 1.737 20 0 EDADMP CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001033955539 709137064 /nfs/dbraw/zinc/13/70/64/709137064.db2.gz ZPJUTKOQRUWSGH-LJQANCHMSA-N 2 1 347.503 1.974 20 0 EDADMP CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@H]1CC[N@H+](CCOC)C1 ZINC001033942667 709149931 /nfs/dbraw/zinc/14/99/31/709149931.db2.gz XBNXVQMJSFLUCK-WBVHZDCISA-N 2 1 334.464 1.323 20 0 EDADMP CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001033942667 709149933 /nfs/dbraw/zinc/14/99/33/709149933.db2.gz XBNXVQMJSFLUCK-WBVHZDCISA-N 2 1 334.464 1.323 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC001034013969 709228075 /nfs/dbraw/zinc/22/80/75/709228075.db2.gz SFKWAGFKFXPOBB-SFHVURJKSA-N 2 1 342.487 1.909 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001034046862 709299702 /nfs/dbraw/zinc/29/97/02/709299702.db2.gz AQIOCUVPTOLUJB-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001034046862 709299703 /nfs/dbraw/zinc/29/97/03/709299703.db2.gz AQIOCUVPTOLUJB-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001034046862 709299706 /nfs/dbraw/zinc/29/97/06/709299706.db2.gz AQIOCUVPTOLUJB-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001034046862 709299707 /nfs/dbraw/zinc/29/97/07/709299707.db2.gz AQIOCUVPTOLUJB-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921981396 709350743 /nfs/dbraw/zinc/35/07/43/709350743.db2.gz TWWZLQVBYUGFBG-SFHVURJKSA-N 2 1 332.423 1.709 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001034130594 709400068 /nfs/dbraw/zinc/40/00/68/709400068.db2.gz JDHIMNCGEIUCSL-QZTJIDSGSA-N 2 1 347.507 1.565 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001034130594 709400071 /nfs/dbraw/zinc/40/00/71/709400071.db2.gz JDHIMNCGEIUCSL-QZTJIDSGSA-N 2 1 347.507 1.565 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001034130594 709400073 /nfs/dbraw/zinc/40/00/73/709400073.db2.gz JDHIMNCGEIUCSL-QZTJIDSGSA-N 2 1 347.507 1.565 20 0 EDADMP COCC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034251114 709650641 /nfs/dbraw/zinc/65/06/41/709650641.db2.gz VWOMGZVZFURIMR-IRXDYDNUSA-N 2 1 325.497 1.866 20 0 EDADMP COCC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251114 709650643 /nfs/dbraw/zinc/65/06/43/709650643.db2.gz VWOMGZVZFURIMR-IRXDYDNUSA-N 2 1 325.497 1.866 20 0 EDADMP COCC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251114 709650646 /nfs/dbraw/zinc/65/06/46/709650646.db2.gz VWOMGZVZFURIMR-IRXDYDNUSA-N 2 1 325.497 1.866 20 0 EDADMP CC(C)(C)OC(=O)NCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702573582 709667017 /nfs/dbraw/zinc/66/70/17/709667017.db2.gz LZWPHIYKDAWRHX-IBGZPJMESA-N 2 1 349.475 1.738 20 0 EDADMP CC(C)(C)OC(=O)NCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702573582 709667018 /nfs/dbraw/zinc/66/70/18/709667018.db2.gz LZWPHIYKDAWRHX-IBGZPJMESA-N 2 1 349.475 1.738 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032832467 709698642 /nfs/dbraw/zinc/69/86/42/709698642.db2.gz CCGTVVHOGKDQTC-RYQLBKOJSA-N 2 1 331.460 1.252 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032832467 709698645 /nfs/dbraw/zinc/69/86/45/709698645.db2.gz CCGTVVHOGKDQTC-RYQLBKOJSA-N 2 1 331.460 1.252 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](C[C@H]2CCOC2)C1)c1ccn2c[nH+]cc2c1 ZINC001034291633 709717234 /nfs/dbraw/zinc/71/72/34/709717234.db2.gz MYPQUPPXBFPGEI-NVXWUHKLSA-N 2 1 342.443 1.955 20 0 EDADMP CCc1nc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc(C)[nH+]1 ZINC001061213952 709737246 /nfs/dbraw/zinc/73/72/46/709737246.db2.gz JNCMNVVGWUNHQD-HZPDHXFCSA-N 2 1 345.491 1.726 20 0 EDADMP CCc1nc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc(C)[nH+]1 ZINC001061213952 709737248 /nfs/dbraw/zinc/73/72/48/709737248.db2.gz JNCMNVVGWUNHQD-HZPDHXFCSA-N 2 1 345.491 1.726 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001034310052 709753115 /nfs/dbraw/zinc/75/31/15/709753115.db2.gz SIEIURGLKACFJS-IRXDYDNUSA-N 2 1 348.491 1.977 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001034310052 709753117 /nfs/dbraw/zinc/75/31/17/709753117.db2.gz SIEIURGLKACFJS-IRXDYDNUSA-N 2 1 348.491 1.977 20 0 EDADMP COCC[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034460606 710025706 /nfs/dbraw/zinc/02/57/06/710025706.db2.gz FPHWTQPFBIGKLX-MRXNPFEDSA-N 2 1 343.431 1.498 20 0 EDADMP COCC[N@H+]1CCCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034460606 710025708 /nfs/dbraw/zinc/02/57/08/710025708.db2.gz FPHWTQPFBIGKLX-MRXNPFEDSA-N 2 1 343.431 1.498 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](CC3CCOCC3)C2)C1 ZINC001034490685 710109063 /nfs/dbraw/zinc/10/90/63/710109063.db2.gz MQIUJFOCWCUYSI-ROUUACIJSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@H+](CC3CCOCC3)C2)C1 ZINC001034490685 710109065 /nfs/dbraw/zinc/10/90/65/710109065.db2.gz MQIUJFOCWCUYSI-ROUUACIJSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@@H+](CC3CCOCC3)C2)C1 ZINC001034490685 710109068 /nfs/dbraw/zinc/10/90/68/710109068.db2.gz MQIUJFOCWCUYSI-ROUUACIJSA-N 2 1 337.508 1.726 20 0 EDADMP Cn1cc(CC[N@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034491389 710111896 /nfs/dbraw/zinc/11/18/96/710111896.db2.gz UDOWQDXJHXKJQR-AEFFLSMTSA-N 2 1 347.507 1.275 20 0 EDADMP Cn1cc(CC[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034491389 710111899 /nfs/dbraw/zinc/11/18/99/710111899.db2.gz UDOWQDXJHXKJQR-AEFFLSMTSA-N 2 1 347.507 1.275 20 0 EDADMP Cn1cc(CC[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034491389 710111904 /nfs/dbraw/zinc/11/19/04/710111904.db2.gz UDOWQDXJHXKJQR-AEFFLSMTSA-N 2 1 347.507 1.275 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(Cc2cncn2C)CC1 ZINC001003228891 710149785 /nfs/dbraw/zinc/14/97/85/710149785.db2.gz DWTXMSOPVPBPPW-GOSISDBHSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001003228891 710149788 /nfs/dbraw/zinc/14/97/88/710149788.db2.gz DWTXMSOPVPBPPW-GOSISDBHSA-N 2 1 347.507 1.621 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001003228891 710149790 /nfs/dbraw/zinc/14/97/90/710149790.db2.gz DWTXMSOPVPBPPW-GOSISDBHSA-N 2 1 347.507 1.621 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(CO)cc3)C2)C1 ZINC001034523977 710172548 /nfs/dbraw/zinc/17/25/48/710172548.db2.gz DASKINRKVOPROP-MOPGFXCFSA-N 2 1 345.487 1.601 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccc(CO)cc3)C2)C1 ZINC001034523977 710172550 /nfs/dbraw/zinc/17/25/50/710172550.db2.gz DASKINRKVOPROP-MOPGFXCFSA-N 2 1 345.487 1.601 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccc(CO)cc3)C2)C1 ZINC001034523977 710172553 /nfs/dbraw/zinc/17/25/53/710172553.db2.gz DASKINRKVOPROP-MOPGFXCFSA-N 2 1 345.487 1.601 20 0 EDADMP CCn1nnc(C)c1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034524830 710174456 /nfs/dbraw/zinc/17/44/56/710174456.db2.gz IHNDNLUUJZRBCF-JKSUJKDBSA-N 2 1 348.495 1.029 20 0 EDADMP CCn1nnc(C)c1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034524830 710174458 /nfs/dbraw/zinc/17/44/58/710174458.db2.gz IHNDNLUUJZRBCF-JKSUJKDBSA-N 2 1 348.495 1.029 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034524830 710174459 /nfs/dbraw/zinc/17/44/59/710174459.db2.gz IHNDNLUUJZRBCF-JKSUJKDBSA-N 2 1 348.495 1.029 20 0 EDADMP CCn1nnc(C)c1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034524830 710174460 /nfs/dbraw/zinc/17/44/60/710174460.db2.gz IHNDNLUUJZRBCF-JKSUJKDBSA-N 2 1 348.495 1.029 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034526487 710178312 /nfs/dbraw/zinc/17/83/12/710178312.db2.gz YPVBDRAPLMOKQK-CVEARBPZSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001034526487 710178316 /nfs/dbraw/zinc/17/83/16/710178316.db2.gz YPVBDRAPLMOKQK-CVEARBPZSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034526487 710178320 /nfs/dbraw/zinc/17/83/20/710178320.db2.gz YPVBDRAPLMOKQK-CVEARBPZSA-N 2 1 348.491 1.968 20 0 EDADMP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001034529070 710183686 /nfs/dbraw/zinc/18/36/86/710183686.db2.gz WBOQTGIOWSAEGK-IBGZPJMESA-N 2 1 345.487 1.745 20 0 EDADMP CC(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003331270 710255573 /nfs/dbraw/zinc/25/55/73/710255573.db2.gz GFIBYPNZBDQRTO-URSIVYNOSA-N 2 1 335.492 1.476 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001034606553 710269529 /nfs/dbraw/zinc/26/95/29/710269529.db2.gz AFIVTPOXFAFFLJ-BFYDXBDKSA-N 2 1 331.464 1.396 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC001034611581 710286117 /nfs/dbraw/zinc/28/61/17/710286117.db2.gz LTSZAUSANBSSFT-RBSFLKMASA-N 2 1 348.495 1.539 20 0 EDADMP Cc1cncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC001034613818 710289082 /nfs/dbraw/zinc/28/90/82/710289082.db2.gz BYDVOASCGFKOLU-BZSNNMDCSA-N 2 1 346.475 1.238 20 0 EDADMP Cc1cncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC001034613818 710289085 /nfs/dbraw/zinc/28/90/85/710289085.db2.gz BYDVOASCGFKOLU-BZSNNMDCSA-N 2 1 346.475 1.238 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCC3)CC2)C1 ZINC001034616925 710292305 /nfs/dbraw/zinc/29/23/05/710292305.db2.gz GBBKQVDDAIFWAQ-KZNAEPCWSA-N 2 1 337.508 1.914 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCC3)CC2)C1 ZINC001034616925 710292308 /nfs/dbraw/zinc/29/23/08/710292308.db2.gz GBBKQVDDAIFWAQ-KZNAEPCWSA-N 2 1 337.508 1.914 20 0 EDADMP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1)C(N)=O ZINC001034646860 710323404 /nfs/dbraw/zinc/32/34/04/710323404.db2.gz YJJGQEMXGIECQG-VGWMRTNUSA-N 2 1 338.496 1.140 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1ncccn1 ZINC001034647256 710323527 /nfs/dbraw/zinc/32/35/27/710323527.db2.gz BHUYPAIJYGABOT-BQJWPVKWSA-N 2 1 345.491 1.895 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001034648050 710324545 /nfs/dbraw/zinc/32/45/45/710324545.db2.gz WHJZNDNRIZOUPN-KBUPBQIOSA-N 2 1 349.479 1.489 20 0 EDADMP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001034648050 710324548 /nfs/dbraw/zinc/32/45/48/710324548.db2.gz WHJZNDNRIZOUPN-KBUPBQIOSA-N 2 1 349.479 1.489 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nc1 ZINC001034648010 710324636 /nfs/dbraw/zinc/32/46/36/710324636.db2.gz UKWNHEWFDIBHQJ-QBPKDAKJSA-N 2 1 345.491 1.642 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001034649617 710326260 /nfs/dbraw/zinc/32/62/60/710326260.db2.gz NNECQQWWXRVOCP-HSFUPAIVSA-N 2 1 337.508 1.770 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003625414 710454545 /nfs/dbraw/zinc/45/45/45/710454545.db2.gz FYEYFQHZQQXYOY-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003625414 710454546 /nfs/dbraw/zinc/45/45/46/710454546.db2.gz FYEYFQHZQQXYOY-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC001003632482 710459225 /nfs/dbraw/zinc/45/92/25/710459225.db2.gz AFZASPBIYPCUMT-DYVFJYSZSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC001003632482 710459227 /nfs/dbraw/zinc/45/92/27/710459227.db2.gz AFZASPBIYPCUMT-DYVFJYSZSA-N 2 1 331.464 1.063 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001003633795 710461934 /nfs/dbraw/zinc/46/19/34/710461934.db2.gz HWFPSOZFSUFQIJ-YOEHRIQHSA-N 2 1 346.475 1.369 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001003633795 710461936 /nfs/dbraw/zinc/46/19/36/710461936.db2.gz HWFPSOZFSUFQIJ-YOEHRIQHSA-N 2 1 346.475 1.369 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001003776397 710545481 /nfs/dbraw/zinc/54/54/81/710545481.db2.gz OPVZXYHTEOOQJP-WMZOPIPTSA-N 2 1 345.491 1.518 20 0 EDADMP Cn1cncc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001003776397 710545483 /nfs/dbraw/zinc/54/54/83/710545483.db2.gz OPVZXYHTEOOQJP-WMZOPIPTSA-N 2 1 345.491 1.518 20 0 EDADMP Cc1nc(C)c(C)c(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001061327277 710576444 /nfs/dbraw/zinc/57/64/44/710576444.db2.gz GMGWVYRCLRMKSC-CVEARBPZSA-N 2 1 331.464 1.581 20 0 EDADMP Cc1nc(C)c(C)c(N2CCC[C@@H]2CNC(=O)[C@@H]2CCCN2C)n1 ZINC001061327277 710576445 /nfs/dbraw/zinc/57/64/45/710576445.db2.gz GMGWVYRCLRMKSC-CVEARBPZSA-N 2 1 331.464 1.581 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC001034674732 710623976 /nfs/dbraw/zinc/62/39/76/710623976.db2.gz RPPMNWJBTHQKDF-BQFCYCMXSA-N 2 1 347.507 1.904 20 0 EDADMP COC[C@H](C)[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001003853954 710718246 /nfs/dbraw/zinc/71/82/46/710718246.db2.gz RHOADBSHKFPLGQ-AWEZNQCLSA-N 2 1 343.431 1.496 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCC3)CC2)C1 ZINC001034713946 710847977 /nfs/dbraw/zinc/84/79/77/710847977.db2.gz ZNTXHIFRSGFZSO-KZNAEPCWSA-N 2 1 337.508 1.913 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCC3)CC2)C1 ZINC001034713946 710847984 /nfs/dbraw/zinc/84/79/84/710847984.db2.gz ZNTXHIFRSGFZSO-KZNAEPCWSA-N 2 1 337.508 1.913 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)c1cc(C[NH+]2CCCC2)on1 ZINC001034734110 710915425 /nfs/dbraw/zinc/91/54/25/710915425.db2.gz LBBXQASXUQDMRF-HDJSIYSDSA-N 2 1 338.427 1.871 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)[nH]1 ZINC001034734088 710915815 /nfs/dbraw/zinc/91/58/15/710915815.db2.gz KDWZGVSAIGKFMW-XRGAULLZSA-N 2 1 348.495 1.533 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccn(C)n3)CC2)C1 ZINC001034734477 710916206 /nfs/dbraw/zinc/91/62/06/710916206.db2.gz PFNYHURVGOUDTP-JYJNAYRXSA-N 2 1 333.480 1.279 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)nn1C ZINC001034734559 710916694 /nfs/dbraw/zinc/91/66/94/710916694.db2.gz RGDCCJZXDFNIIN-XIRDDKMYSA-N 2 1 347.507 1.587 20 0 EDADMP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001034736271 710923562 /nfs/dbraw/zinc/92/35/62/710923562.db2.gz VLTDSXFQNAMBPH-BZUAXINKSA-N 2 1 348.495 1.299 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC001032958845 710981161 /nfs/dbraw/zinc/98/11/61/710981161.db2.gz BQIFOIOZSBUCDQ-FUHWJXTLSA-N 2 1 333.451 1.995 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCc2ccccc2F)C1 ZINC001032958845 710981165 /nfs/dbraw/zinc/98/11/65/710981165.db2.gz BQIFOIOZSBUCDQ-FUHWJXTLSA-N 2 1 333.451 1.995 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCc2ccccc2F)C1 ZINC001032958845 710981169 /nfs/dbraw/zinc/98/11/69/710981169.db2.gz BQIFOIOZSBUCDQ-FUHWJXTLSA-N 2 1 333.451 1.995 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCCO)CC1 ZINC001003940629 711033806 /nfs/dbraw/zinc/03/38/06/711033806.db2.gz LUGNAUGKEUHHQI-QGZVFWFLSA-N 2 1 325.497 1.604 20 0 EDADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)c1 ZINC001032976329 711085601 /nfs/dbraw/zinc/08/56/01/711085601.db2.gz NTXJPFOWZURUJM-RTBURBONSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1cc(C)cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)c1 ZINC001032976329 711085602 /nfs/dbraw/zinc/08/56/02/711085602.db2.gz NTXJPFOWZURUJM-RTBURBONSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1cc(C)cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC001032976329 711085603 /nfs/dbraw/zinc/08/56/03/711085603.db2.gz NTXJPFOWZURUJM-RTBURBONSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1cc(C)cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001032976329 711085606 /nfs/dbraw/zinc/08/56/06/711085606.db2.gz NTXJPFOWZURUJM-RTBURBONSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032978108 711096589 /nfs/dbraw/zinc/09/65/89/711096589.db2.gz XGVWPWVLFGEHPG-MSOLQXFVSA-N 2 1 331.460 1.358 20 0 EDADMP Cc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032978108 711096593 /nfs/dbraw/zinc/09/65/93/711096593.db2.gz XGVWPWVLFGEHPG-MSOLQXFVSA-N 2 1 331.460 1.358 20 0 EDADMP Cc1ccccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032978108 711096598 /nfs/dbraw/zinc/09/65/98/711096598.db2.gz XGVWPWVLFGEHPG-MSOLQXFVSA-N 2 1 331.460 1.358 20 0 EDADMP Cc1ccccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032978108 711096602 /nfs/dbraw/zinc/09/66/02/711096602.db2.gz XGVWPWVLFGEHPG-MSOLQXFVSA-N 2 1 331.460 1.358 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001005713548 711106721 /nfs/dbraw/zinc/10/67/21/711106721.db2.gz NEVCOVGWJNYDRW-KRWDZBQOSA-N 2 1 334.464 1.683 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC001034795029 711112361 /nfs/dbraw/zinc/11/23/61/711112361.db2.gz RUKHKDOHJLDFJM-BRWVUGGUSA-N 2 1 334.464 1.635 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001034795030 711112798 /nfs/dbraw/zinc/11/27/98/711112798.db2.gz RUKHKDOHJLDFJM-ULQDDVLXSA-N 2 1 334.464 1.635 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034792049 711118127 /nfs/dbraw/zinc/11/81/27/711118127.db2.gz CUVRZRWNNLBOKA-JYJNAYRXSA-N 2 1 331.464 1.254 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034792196 711118460 /nfs/dbraw/zinc/11/84/60/711118460.db2.gz AJKHJMQYDISJHL-WKILWMFISA-N 2 1 330.436 1.142 20 0 EDADMP Cc1noc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034793192 711121725 /nfs/dbraw/zinc/12/17/25/711121725.db2.gz RUGPYABBSKZDNP-JYJNAYRXSA-N 2 1 334.464 1.760 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]C[C@@H]3CCOC3)cc2)C1 ZINC001034831956 711238603 /nfs/dbraw/zinc/23/86/03/711238603.db2.gz GRWFWBXIPXFEPR-ROUUACIJSA-N 2 1 331.460 1.381 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(C(N)=O)cs1)C2 ZINC000922387404 711426713 /nfs/dbraw/zinc/42/67/13/711426713.db2.gz KOLLMKBIZMNFNA-AIANPOQGSA-N 2 1 337.489 1.416 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3n(n1)CCCC3)C2 ZINC000922389762 711438405 /nfs/dbraw/zinc/43/84/05/711438405.db2.gz JWWPFMFDCUMCFI-YRXWBPOGSA-N 2 1 332.492 1.789 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nccnc2C)CC[N@H+]1C ZINC001034941014 711445273 /nfs/dbraw/zinc/44/52/73/711445273.db2.gz KZQFGEALOLZOGM-SOLBZPMBSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001004151239 711568761 /nfs/dbraw/zinc/56/87/61/711568761.db2.gz IRZZVNWABVIXQI-GDBMZVCRSA-N 2 1 334.464 1.587 20 0 EDADMP CN(C(=O)c1sccc1C[NH+](C)C)[C@H]1CC[N@H+](CCCO)C1 ZINC001033124107 711855070 /nfs/dbraw/zinc/85/50/70/711855070.db2.gz UVKBNKGIOKUTOI-AWEZNQCLSA-N 2 1 325.478 1.338 20 0 EDADMP CN(C(=O)c1sccc1C[NH+](C)C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033124107 711855071 /nfs/dbraw/zinc/85/50/71/711855071.db2.gz UVKBNKGIOKUTOI-AWEZNQCLSA-N 2 1 325.478 1.338 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CCN(Cc2ccn(C)n2)C1 ZINC001033151119 712117459 /nfs/dbraw/zinc/11/74/59/712117459.db2.gz IIMSTANHVSQLPT-ROUUACIJSA-N 2 1 347.507 1.716 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000272064358 282174991 /nfs/dbraw/zinc/17/49/91/282174991.db2.gz INUNBFGUEWWDSP-KRWDZBQOSA-N 2 1 334.439 1.990 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000355193670 282210121 /nfs/dbraw/zinc/21/01/21/282210121.db2.gz WATYMPWMJKMBEE-KLHDSHLOSA-N 2 1 332.448 1.471 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000183685549 529798959 /nfs/dbraw/zinc/79/89/59/529798959.db2.gz XMSMBYPRDCURAO-UHFFFAOYSA-N 2 1 332.448 1.332 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@H+](C)Cc2ccncc2)cc[nH+]1 ZINC000348172605 282324125 /nfs/dbraw/zinc/32/41/25/282324125.db2.gz RZXJHGAZXYZELD-JKSUJKDBSA-N 2 1 344.438 1.986 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@@H+](C)Cc2ccncc2)cc[nH+]1 ZINC000348172605 282324127 /nfs/dbraw/zinc/32/41/27/282324127.db2.gz RZXJHGAZXYZELD-JKSUJKDBSA-N 2 1 344.438 1.986 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000093663993 539522994 /nfs/dbraw/zinc/52/29/94/539522994.db2.gz CBKWIXGSDDLQAN-IBGZPJMESA-N 2 1 347.503 1.781 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152362896 539807586 /nfs/dbraw/zinc/80/75/86/539807586.db2.gz YEYBUVABPOTWAM-ULQDDVLXSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152362896 539807589 /nfs/dbraw/zinc/80/75/89/539807589.db2.gz YEYBUVABPOTWAM-ULQDDVLXSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000412701556 304028880 /nfs/dbraw/zinc/02/88/80/304028880.db2.gz UHCFMWSANZSJIQ-HKUYNNGSSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000412701556 304028881 /nfs/dbraw/zinc/02/88/81/304028881.db2.gz UHCFMWSANZSJIQ-HKUYNNGSSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1Cc1ccccc1 ZINC000412701556 304028884 /nfs/dbraw/zinc/02/88/84/304028884.db2.gz UHCFMWSANZSJIQ-HKUYNNGSSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC[NH+]1Cc1ccccc1 ZINC000412701556 304028885 /nfs/dbraw/zinc/02/88/85/304028885.db2.gz UHCFMWSANZSJIQ-HKUYNNGSSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000562809240 306310138 /nfs/dbraw/zinc/31/01/38/306310138.db2.gz HBASCXMYHOAIHM-NXHRZFHOSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)C1CC[NH+](C)CC1 ZINC000159211581 540006171 /nfs/dbraw/zinc/00/61/71/540006171.db2.gz GZFRLHGHPRYFIN-INIZCTEOSA-N 2 1 331.508 1.653 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)CCC[N@H+]1C ZINC000563161318 306321108 /nfs/dbraw/zinc/32/11/08/306321108.db2.gz XOXUABTVVPEPNP-YQQAZPJKSA-N 2 1 333.480 1.451 20 0 EDADMP CCN(C[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1)CC(F)(F)F ZINC000563351372 306329273 /nfs/dbraw/zinc/32/92/73/306329273.db2.gz ZVDUWYGWIDGLDT-KGLIPLIRSA-N 2 1 325.419 1.505 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1)CC(F)(F)F ZINC000563351372 306329274 /nfs/dbraw/zinc/32/92/74/306329274.db2.gz ZVDUWYGWIDGLDT-KGLIPLIRSA-N 2 1 325.419 1.505 20 0 EDADMP CCN(C[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1)CC(F)(F)F ZINC000563351372 306329275 /nfs/dbraw/zinc/32/92/75/306329275.db2.gz ZVDUWYGWIDGLDT-KGLIPLIRSA-N 2 1 325.419 1.505 20 0 EDADMP CCN(C[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1)CC(F)(F)F ZINC000563351372 306329276 /nfs/dbraw/zinc/32/92/76/306329276.db2.gz ZVDUWYGWIDGLDT-KGLIPLIRSA-N 2 1 325.419 1.505 20 0 EDADMP CCC[N@@H+](CCO)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000052691097 138139235 /nfs/dbraw/zinc/13/92/35/138139235.db2.gz CQPPSMKGZOHEEY-UHFFFAOYSA-N 2 1 347.503 1.734 20 0 EDADMP CCC[NH+](CCO)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000052691097 138139240 /nfs/dbraw/zinc/13/92/40/138139240.db2.gz CQPPSMKGZOHEEY-UHFFFAOYSA-N 2 1 347.503 1.734 20 0 EDADMP CCC[NH+](CCO)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000052691097 138139242 /nfs/dbraw/zinc/13/92/42/138139242.db2.gz CQPPSMKGZOHEEY-UHFFFAOYSA-N 2 1 347.503 1.734 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000072886684 138211730 /nfs/dbraw/zinc/21/17/30/138211730.db2.gz SLKZQGBRUDXOKT-SFHVURJKSA-N 2 1 331.460 1.619 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000072886684 138211731 /nfs/dbraw/zinc/21/17/31/138211731.db2.gz SLKZQGBRUDXOKT-SFHVURJKSA-N 2 1 331.460 1.619 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000563559305 306338841 /nfs/dbraw/zinc/33/88/41/306338841.db2.gz UYRXBMAXVPEDIF-HZMVEIRTSA-N 2 1 338.496 1.112 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090663130 138280568 /nfs/dbraw/zinc/28/05/68/138280568.db2.gz DEHRCIXYKSZPOP-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090663130 138280569 /nfs/dbraw/zinc/28/05/69/138280569.db2.gz DEHRCIXYKSZPOP-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](n3cccn3)C2)CC1 ZINC000114456264 138310249 /nfs/dbraw/zinc/31/02/49/138310249.db2.gz HHENEFKJRCCUBJ-KRWDZBQOSA-N 2 1 333.480 1.509 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](n3cccn3)C2)CC1 ZINC000114456264 138310250 /nfs/dbraw/zinc/31/02/50/138310250.db2.gz HHENEFKJRCCUBJ-KRWDZBQOSA-N 2 1 333.480 1.509 20 0 EDADMP CNC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471834698 283346870 /nfs/dbraw/zinc/34/68/70/283346870.db2.gz SVJNAAKUEIYERU-IAGOWNOFSA-N 2 1 346.475 1.504 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)C1 ZINC000413836907 304079859 /nfs/dbraw/zinc/07/98/59/304079859.db2.gz LYHZJYJAZKVFRE-KRWDZBQOSA-N 2 1 348.491 1.863 20 0 EDADMP C[NH+]1CCN(C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c2ccccc2)CC1 ZINC000564793839 306365119 /nfs/dbraw/zinc/36/51/19/306365119.db2.gz NSHQHQOOMMTXCD-JKSUJKDBSA-N 2 1 345.409 1.878 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000564837925 306366384 /nfs/dbraw/zinc/36/63/84/306366384.db2.gz SEXSGXYRODXWOR-POAQFYNOSA-N 2 1 327.472 1.860 20 0 EDADMP C[C@@H]1C[N@H+](CCCCNC(=O)c2ccccc2CC[NH3+])C[C@H](C)O1 ZINC000565152260 306376181 /nfs/dbraw/zinc/37/61/81/306376181.db2.gz ZGOKIFZBCRFABF-IYBDPMFKSA-N 2 1 333.476 1.807 20 0 EDADMP C[C@H](NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1)c1cccs1 ZINC000129808257 223094254 /nfs/dbraw/zinc/09/42/54/223094254.db2.gz PCWDPKUAJVXTSG-HNNXBMFYSA-N 2 1 338.521 1.495 20 0 EDADMP C[C@H](NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1cccs1 ZINC000129808257 223094257 /nfs/dbraw/zinc/09/42/57/223094257.db2.gz PCWDPKUAJVXTSG-HNNXBMFYSA-N 2 1 338.521 1.495 20 0 EDADMP O=C(C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000131659775 223255646 /nfs/dbraw/zinc/25/56/46/223255646.db2.gz MSGFAKQCEOFWHF-GOSISDBHSA-N 2 1 344.459 1.278 20 0 EDADMP O=C(C[N@H+]1CC[C@@H](Oc2ccncc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000131659775 223255648 /nfs/dbraw/zinc/25/56/48/223255648.db2.gz MSGFAKQCEOFWHF-GOSISDBHSA-N 2 1 344.459 1.278 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000565945041 306394962 /nfs/dbraw/zinc/39/49/62/306394962.db2.gz CCXLRLBXMUGNMK-RDBSUJKOSA-N 2 1 343.518 1.346 20 0 EDADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000566092520 306398594 /nfs/dbraw/zinc/39/85/94/306398594.db2.gz HGMQEVSUZWPVRT-XJKSGUPXSA-N 2 1 341.477 1.477 20 0 EDADMP CO[C@](C)([C@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000414507352 304121130 /nfs/dbraw/zinc/12/11/30/304121130.db2.gz YUOVMFPDHAPUHK-KBXCAEBGSA-N 2 1 333.480 1.522 20 0 EDADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000414698240 304129450 /nfs/dbraw/zinc/12/94/50/304129450.db2.gz ITQOYVORLYPDIY-MJGOQNOKSA-N 2 1 344.503 1.785 20 0 EDADMP COC(=O)[C@H](CC1CCCCC1)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414756549 304137503 /nfs/dbraw/zinc/13/75/03/304137503.db2.gz QWGFFXQWAZYGDH-HOTGVXAUSA-N 2 1 339.480 1.285 20 0 EDADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CC[NH2+]1 ZINC000414757606 304137565 /nfs/dbraw/zinc/13/75/65/304137565.db2.gz LLMDWKINVFVQOG-AFYVEPGGSA-N 2 1 329.488 1.960 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000414796296 304141718 /nfs/dbraw/zinc/14/17/18/304141718.db2.gz HJGGKKGBAIWHSY-UHFFFAOYSA-N 2 1 346.475 1.677 20 0 EDADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415043528 304153707 /nfs/dbraw/zinc/15/37/07/304153707.db2.gz RPWVLGRDKYMYSP-ZDUSSCGKSA-N 2 1 348.399 1.696 20 0 EDADMP [NH3+]CCc1nc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cs1 ZINC000194758099 139000150 /nfs/dbraw/zinc/00/01/50/139000150.db2.gz PUADBNVCPBMWJJ-UHFFFAOYSA-N 2 1 344.484 1.992 20 0 EDADMP C[C@H](CNC(=O)c1csc(CC[NH3+])n1)[N@H+]1CCc2ccccc2C1 ZINC000194832566 139001007 /nfs/dbraw/zinc/00/10/07/139001007.db2.gz IXMFZLMTCPBOFV-CYBMUJFWSA-N 2 1 344.484 1.821 20 0 EDADMP COc1ccc(OC)c(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415120953 304161663 /nfs/dbraw/zinc/16/16/63/304161663.db2.gz GUZOIKXFSWVBSG-HNNXBMFYSA-N 2 1 331.420 1.591 20 0 EDADMP Cc1cccc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000415136003 304162959 /nfs/dbraw/zinc/16/29/59/304162959.db2.gz GTWHVUPOXLKMGX-ROUUACIJSA-N 2 1 328.460 1.715 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000415136033 304163029 /nfs/dbraw/zinc/16/30/29/304163029.db2.gz WZNWJIBWHJPSTA-OAHLLOKOSA-N 2 1 346.475 1.535 20 0 EDADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000415138859 304163298 /nfs/dbraw/zinc/16/32/98/304163298.db2.gz KSCGTKUZQTVWON-QZTJIDSGSA-N 2 1 346.450 1.854 20 0 EDADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000415138859 304163300 /nfs/dbraw/zinc/16/33/00/304163300.db2.gz KSCGTKUZQTVWON-QZTJIDSGSA-N 2 1 346.450 1.854 20 0 EDADMP CC[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236932525 139035419 /nfs/dbraw/zinc/03/54/19/139035419.db2.gz BVQCFAFIYAESMK-KURKYZTESA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236932525 139035420 /nfs/dbraw/zinc/03/54/20/139035420.db2.gz BVQCFAFIYAESMK-KURKYZTESA-N 2 1 331.460 1.392 20 0 EDADMP C[NH+](C)C(C)(C)CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000110605627 220047822 /nfs/dbraw/zinc/04/78/22/220047822.db2.gz MZXWFNHSRARNDR-QGZVFWFLSA-N 2 1 332.492 1.432 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH2+]1 ZINC000237585466 139054792 /nfs/dbraw/zinc/05/47/92/139054792.db2.gz RMBNJHBRDJFGSA-SOLBZPMBSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@]3(C)CCC[NH2+]C3)c2)CCO1 ZINC000237637404 139056621 /nfs/dbraw/zinc/05/66/21/139056621.db2.gz RZFZCQKNPLXXHT-JXFKEZNVSA-N 2 1 345.487 1.913 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@]3(C)CCC[NH2+]C3)c2)CCO1 ZINC000237637404 139056622 /nfs/dbraw/zinc/05/66/22/139056622.db2.gz RZFZCQKNPLXXHT-JXFKEZNVSA-N 2 1 345.487 1.913 20 0 EDADMP Cc1cc(N2CCC(NC(=O)C[C@H]3CSCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000237785617 139060329 /nfs/dbraw/zinc/06/03/29/139060329.db2.gz WIHSMMIYJSATTO-HNNXBMFYSA-N 2 1 349.504 1.274 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000246656696 139116633 /nfs/dbraw/zinc/11/66/33/139116633.db2.gz UDQHKTZUWKCKNN-DOTOQJQBSA-N 2 1 328.501 1.253 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246665038 139116878 /nfs/dbraw/zinc/11/68/78/139116878.db2.gz DRXUJPZXFQSOTC-PMPSAXMXSA-N 2 1 334.464 1.358 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246665038 139116879 /nfs/dbraw/zinc/11/68/79/139116879.db2.gz DRXUJPZXFQSOTC-PMPSAXMXSA-N 2 1 334.464 1.358 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000246724139 139118939 /nfs/dbraw/zinc/11/89/39/139118939.db2.gz XTNNNSPZQXKKPC-CRAIPNDOSA-N 2 1 331.460 1.666 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000246724139 139118940 /nfs/dbraw/zinc/11/89/40/139118940.db2.gz XTNNNSPZQXKKPC-CRAIPNDOSA-N 2 1 331.460 1.666 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000246827295 139123225 /nfs/dbraw/zinc/12/32/25/139123225.db2.gz AXLITDVVWXVDKH-NVXWUHKLSA-N 2 1 344.459 1.560 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000246827295 139123226 /nfs/dbraw/zinc/12/32/26/139123226.db2.gz AXLITDVVWXVDKH-NVXWUHKLSA-N 2 1 344.459 1.560 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247032795 139132434 /nfs/dbraw/zinc/13/24/34/139132434.db2.gz GJFCALIHOFSLRE-YVSFHVDLSA-N 2 1 325.497 1.530 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247032795 139132435 /nfs/dbraw/zinc/13/24/35/139132435.db2.gz GJFCALIHOFSLRE-YVSFHVDLSA-N 2 1 325.497 1.530 20 0 EDADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CC(F)(F)C[NH3+])cc1 ZINC000568153589 306473490 /nfs/dbraw/zinc/47/34/90/306473490.db2.gz MZPFUFATEXLQEQ-UHFFFAOYSA-N 2 1 328.363 1.499 20 0 EDADMP CSCC[C@@H](C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000247234747 139141619 /nfs/dbraw/zinc/14/16/19/139141619.db2.gz XZAKPGSTGJXKOI-CVEARBPZSA-N 2 1 345.553 1.533 20 0 EDADMP CSCC[C@@H](C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000247234747 139141620 /nfs/dbraw/zinc/14/16/20/139141620.db2.gz XZAKPGSTGJXKOI-CVEARBPZSA-N 2 1 345.553 1.533 20 0 EDADMP CSCC[C@@H](C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000247234747 139141621 /nfs/dbraw/zinc/14/16/21/139141621.db2.gz XZAKPGSTGJXKOI-CVEARBPZSA-N 2 1 345.553 1.533 20 0 EDADMP COCc1cccc(CNC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000247964442 139156238 /nfs/dbraw/zinc/15/62/38/139156238.db2.gz GPUHKROPBTZIMC-RTBURBONSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000249118741 139186223 /nfs/dbraw/zinc/18/62/23/139186223.db2.gz PDUPPLUWXNWJSQ-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000249118741 139186224 /nfs/dbraw/zinc/18/62/24/139186224.db2.gz PDUPPLUWXNWJSQ-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2)C1 ZINC000261602465 139209760 /nfs/dbraw/zinc/20/97/60/139209760.db2.gz AKFBIYUVMYDRCG-GDBMZVCRSA-N 2 1 330.432 1.074 20 0 EDADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000261755329 139223398 /nfs/dbraw/zinc/22/33/98/139223398.db2.gz VGFLLKJSKRCIDZ-SQNIBIBYSA-N 2 1 334.508 1.147 20 0 EDADMP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc(N2CCCC2)n1 ZINC000261887930 139234086 /nfs/dbraw/zinc/23/40/86/139234086.db2.gz GAUWFCAROBUGJJ-KURKYZTESA-N 2 1 330.476 1.929 20 0 EDADMP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CN1c1ccccc1 ZINC000262003015 139242979 /nfs/dbraw/zinc/24/29/79/139242979.db2.gz UTIGNJRSDKYLJG-DZJNRPSUSA-N 2 1 329.444 1.539 20 0 EDADMP CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)no1 ZINC000262006141 139243419 /nfs/dbraw/zinc/24/34/19/139243419.db2.gz UOAGIEHGEJKBGN-HNNXBMFYSA-N 2 1 335.452 1.054 20 0 EDADMP Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H](C)CO1 ZINC000262074865 139248946 /nfs/dbraw/zinc/24/89/46/139248946.db2.gz KGKXTNUOSOPRAJ-SJLPKXTDSA-N 2 1 331.460 1.579 20 0 EDADMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000262074437 139248772 /nfs/dbraw/zinc/24/87/72/139248772.db2.gz DBIKUPYKVPGSRZ-YPMHNXCESA-N 2 1 327.222 1.054 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C2CCCCC2)n1 ZINC000262099442 139250839 /nfs/dbraw/zinc/25/08/39/139250839.db2.gz IKGKFCQQVPEVJV-SFHVURJKSA-N 2 1 331.508 1.947 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC3([NH3+])CCC3)c2C1 ZINC000415561235 304226696 /nfs/dbraw/zinc/22/66/96/304226696.db2.gz OCLVVYSTKSBTMB-UHFFFAOYSA-N 2 1 330.432 1.348 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC3([NH3+])CCC3)c2C1 ZINC000415561235 304226698 /nfs/dbraw/zinc/22/66/98/304226698.db2.gz OCLVVYSTKSBTMB-UHFFFAOYSA-N 2 1 330.432 1.348 20 0 EDADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262146993 139255028 /nfs/dbraw/zinc/25/50/28/139255028.db2.gz QOTCWNJBPIPPEQ-YVEFUNNKSA-N 2 1 336.386 1.437 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262210833 139260281 /nfs/dbraw/zinc/26/02/81/139260281.db2.gz IVADBFFWJXVJDS-MRXNPFEDSA-N 2 1 347.507 1.589 20 0 EDADMP CO[C@H]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000417018372 251134212 /nfs/dbraw/zinc/13/42/12/251134212.db2.gz HSMREFDYTXLHPA-SJORKVTESA-N 2 1 340.512 1.789 20 0 EDADMP [NH3+][C@H]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000417271572 251152499 /nfs/dbraw/zinc/15/24/99/251152499.db2.gz POQXIDAUYRSWCK-HIFRSBDPSA-N 2 1 336.505 1.923 20 0 EDADMP [NH3+][C@H]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000417271572 251152503 /nfs/dbraw/zinc/15/25/03/251152503.db2.gz POQXIDAUYRSWCK-HIFRSBDPSA-N 2 1 336.505 1.923 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000417557311 251187302 /nfs/dbraw/zinc/18/73/02/251187302.db2.gz RGIZOXVJRWJHCL-FUHWJXTLSA-N 2 1 340.512 1.709 20 0 EDADMP CCCN(C(=O)NC[C@@H]1CCC[N@H+]1CCOC)C1CC[NH2+]CC1 ZINC000417568804 251190886 /nfs/dbraw/zinc/19/08/86/251190886.db2.gz PJHATWOYILMFTO-INIZCTEOSA-N 2 1 326.485 1.271 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000417587867 251200243 /nfs/dbraw/zinc/20/02/43/251200243.db2.gz SREKUYXIYKWTJW-CVEARBPZSA-N 2 1 340.512 1.646 20 0 EDADMP [NH3+]CCCN(Cc1ccccc1)C(=O)NCC[NH+]1CCSCC1 ZINC000417614402 251207138 /nfs/dbraw/zinc/20/71/38/251207138.db2.gz VOFCBWUDVGVCLM-UHFFFAOYSA-N 2 1 336.505 1.596 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000417700407 251233943 /nfs/dbraw/zinc/23/39/43/251233943.db2.gz MCFKKXGPAAIQNV-INIZCTEOSA-N 2 1 331.464 1.752 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000417667354 251221137 /nfs/dbraw/zinc/22/11/37/251221137.db2.gz GJQGSEMAULDFSE-HRCADAONSA-N 2 1 326.485 1.127 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000417666961 251221766 /nfs/dbraw/zinc/22/17/66/251221766.db2.gz FGUXHURVKJXVSV-IKGGRYGDSA-N 2 1 340.512 1.422 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000417670636 251223243 /nfs/dbraw/zinc/22/32/43/251223243.db2.gz OPHZTEBXJORKKH-ARFHVFGLSA-N 2 1 326.485 1.127 20 0 EDADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000417719053 251240882 /nfs/dbraw/zinc/24/08/82/251240882.db2.gz WERDMSCPIYJCEP-WBVHZDCISA-N 2 1 334.464 1.269 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417750186 251254708 /nfs/dbraw/zinc/25/47/08/251254708.db2.gz KFDQCQMXJVGQBU-ZACQAIPSSA-N 2 1 339.528 1.077 20 0 EDADMP C[C@@H]1CCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000417828519 251287039 /nfs/dbraw/zinc/28/70/39/251287039.db2.gz QHDYIKJPONPKMC-ZBFHGGJFSA-N 2 1 336.455 1.884 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000417833711 251290162 /nfs/dbraw/zinc/29/01/62/251290162.db2.gz UMOQJMHGRSOVTG-HZPDHXFCSA-N 2 1 334.439 1.508 20 0 EDADMP C[C@@H](C[NH3+])CNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418476976 251373898 /nfs/dbraw/zinc/37/38/98/251373898.db2.gz UHWSCBWRSYWSTB-HRCADAONSA-N 2 1 340.512 1.502 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]1C ZINC000418676818 251384912 /nfs/dbraw/zinc/38/49/12/251384912.db2.gz ABUJVSYEEQSDID-JYJNAYRXSA-N 2 1 326.485 1.114 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]1C ZINC000418676818 251384914 /nfs/dbraw/zinc/38/49/14/251384914.db2.gz ABUJVSYEEQSDID-JYJNAYRXSA-N 2 1 326.485 1.114 20 0 EDADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418685500 251386794 /nfs/dbraw/zinc/38/67/94/251386794.db2.gz MSYFVGZXPOZQMA-FGTMMUONSA-N 2 1 330.476 1.868 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000262616139 139290238 /nfs/dbraw/zinc/29/02/38/139290238.db2.gz CWRPMOJIWLIYGL-CVEARBPZSA-N 2 1 330.432 1.217 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000262616139 139290239 /nfs/dbraw/zinc/29/02/39/139290239.db2.gz CWRPMOJIWLIYGL-CVEARBPZSA-N 2 1 330.432 1.217 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCCC[NH2+]3)cc2)C1 ZINC000262659164 139293886 /nfs/dbraw/zinc/29/38/86/139293886.db2.gz WNTGEHKTXRVIKP-NVXWUHKLSA-N 2 1 344.459 1.465 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000420356580 251698906 /nfs/dbraw/zinc/69/89/06/251698906.db2.gz GNLCHERLASCWCV-QGZVFWFLSA-N 2 1 331.460 1.682 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000420356580 251698909 /nfs/dbraw/zinc/69/89/09/251698909.db2.gz GNLCHERLASCWCV-QGZVFWFLSA-N 2 1 331.460 1.682 20 0 EDADMP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])cc1 ZINC000415596397 304235905 /nfs/dbraw/zinc/23/59/05/304235905.db2.gz CEJOHDALBSDNTH-UHFFFAOYSA-N 2 1 342.390 1.177 20 0 EDADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000423043300 252027252 /nfs/dbraw/zinc/02/72/52/252027252.db2.gz OFPNAQKISGUNHX-MNOVXSKESA-N 2 1 326.238 1.975 20 0 EDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422909646 252020662 /nfs/dbraw/zinc/02/06/62/252020662.db2.gz GMVSTYOWBYTOEU-HKUYNNGSSA-N 2 1 344.503 1.703 20 0 EDADMP O=C(C[C@H]1COCC[NH2+]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424214478 252164218 /nfs/dbraw/zinc/16/42/18/252164218.db2.gz CMNGQGCSECTFMP-OKZBNKHCSA-N 2 1 329.444 1.098 20 0 EDADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000424278914 252190398 /nfs/dbraw/zinc/19/03/98/252190398.db2.gz FUIMHTOJLRZZMV-PWSUYJOCSA-N 2 1 333.404 1.229 20 0 EDADMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000263113760 139323014 /nfs/dbraw/zinc/32/30/14/139323014.db2.gz ANDYQKXMHRMMNK-HZGVNTEJSA-N 2 1 325.659 1.834 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCCC(C)(C)C2)C1 ZINC000445150913 285055341 /nfs/dbraw/zinc/05/53/41/285055341.db2.gz PMFKQKXUGIBVHG-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000445150913 285055342 /nfs/dbraw/zinc/05/53/42/285055342.db2.gz PMFKQKXUGIBVHG-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CCCC(C)(C)C2)C1 ZINC000445150913 285055343 /nfs/dbraw/zinc/05/53/43/285055343.db2.gz PMFKQKXUGIBVHG-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NCC3([NH+](C)C)CCC3)CC2)c1 ZINC000445860503 254609293 /nfs/dbraw/zinc/60/92/93/254609293.db2.gz BKNGQRIDBNRVJL-UHFFFAOYSA-N 2 1 331.464 1.706 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000263810663 139362022 /nfs/dbraw/zinc/36/20/22/139362022.db2.gz WLVJHPYGOCANTM-UHFFFAOYSA-N 2 1 333.476 1.593 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](C)CC1 ZINC000173391132 285243493 /nfs/dbraw/zinc/24/34/93/285243493.db2.gz DYNUDCPORGQJQB-QGZVFWFLSA-N 3 1 339.528 1.138 20 0 EDADMP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)C[C@@H](C)C1 ZINC000488917026 255059300 /nfs/dbraw/zinc/05/93/00/255059300.db2.gz MABPHRUXYHUXER-ARFHVFGLSA-N 2 1 340.537 1.407 20 0 EDADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)C[C@@H](C)C1 ZINC000488917026 255059301 /nfs/dbraw/zinc/05/93/01/255059301.db2.gz MABPHRUXYHUXER-ARFHVFGLSA-N 2 1 340.537 1.407 20 0 EDADMP C[C@@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000492608746 255183195 /nfs/dbraw/zinc/18/31/95/255183195.db2.gz MGUWEWBBTMLPTK-HNNXBMFYSA-N 2 1 342.528 1.857 20 0 EDADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495666167 255312326 /nfs/dbraw/zinc/31/23/26/255312326.db2.gz ADJHQHNDMUOOAF-AWEZNQCLSA-N 2 1 341.496 1.678 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1 ZINC000496387854 255390542 /nfs/dbraw/zinc/39/05/42/255390542.db2.gz QIQPNOFIVZSFFN-OAHLLOKOSA-N 2 1 341.496 1.822 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496255519 255371091 /nfs/dbraw/zinc/37/10/91/255371091.db2.gz NLBRPDLDMIYNGY-CQSZACIVSA-N 2 1 326.441 1.170 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496255519 255371092 /nfs/dbraw/zinc/37/10/92/255371092.db2.gz NLBRPDLDMIYNGY-CQSZACIVSA-N 2 1 326.441 1.170 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000339861491 285278702 /nfs/dbraw/zinc/27/87/02/285278702.db2.gz QVSYZKFQTVFCLW-ZBFHGGJFSA-N 2 1 336.484 1.528 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000118118539 221123448 /nfs/dbraw/zinc/12/34/48/221123448.db2.gz HTBSUGQXNGLLDK-AWEZNQCLSA-N 2 1 334.464 1.533 20 0 EDADMP CC(C)[N@H+](C)CCCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264246747 139389969 /nfs/dbraw/zinc/38/99/69/139389969.db2.gz PTMKXBYWJNHJOU-IBGZPJMESA-N 2 1 346.519 1.822 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264246747 139389970 /nfs/dbraw/zinc/38/99/70/139389970.db2.gz PTMKXBYWJNHJOU-IBGZPJMESA-N 2 1 346.519 1.822 20 0 EDADMP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000166381303 533602477 /nfs/dbraw/zinc/60/24/77/533602477.db2.gz IAGROUHFJLQPFY-DLBZAZTESA-N 2 1 335.517 1.748 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331475828 141035607 /nfs/dbraw/zinc/03/56/07/141035607.db2.gz IUBYKNZCANHEEO-GUYCJALGSA-N 2 1 337.489 1.509 20 0 EDADMP [NH3+]CC1(O)CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000331860669 141090210 /nfs/dbraw/zinc/09/02/10/141090210.db2.gz YKDRXZIUXQYDLB-UHFFFAOYSA-N 2 1 341.249 1.670 20 0 EDADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000333352738 141304096 /nfs/dbraw/zinc/30/40/96/141304096.db2.gz WADRJULCWIAQOF-KGLIPLIRSA-N 2 1 334.468 1.254 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000333352738 141304097 /nfs/dbraw/zinc/30/40/97/141304097.db2.gz WADRJULCWIAQOF-KGLIPLIRSA-N 2 1 334.468 1.254 20 0 EDADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000333471118 141322620 /nfs/dbraw/zinc/32/26/20/141322620.db2.gz AKPVTGKTDQJZGG-FHZKDXSVSA-N 2 1 334.508 1.240 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1CCOC ZINC000333509444 141328952 /nfs/dbraw/zinc/32/89/52/141328952.db2.gz IUZWJIJLAWZXBJ-QBPKDAKJSA-N 2 1 338.496 1.127 20 0 EDADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)N1CC(=O)Nc2ccccc21 ZINC000333827106 141389391 /nfs/dbraw/zinc/38/93/91/141389391.db2.gz IRQSGQAZRXVARJ-HNNXBMFYSA-N 2 1 342.443 1.436 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000339498776 142060651 /nfs/dbraw/zinc/06/06/51/142060651.db2.gz TXZYNOHSJMVPMH-UHFFFAOYSA-N 2 1 340.512 1.260 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000339664129 142111885 /nfs/dbraw/zinc/11/18/85/142111885.db2.gz IEDFQVDPGRNKIV-UHFFFAOYSA-N 2 1 345.447 1.631 20 0 EDADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000342695237 142746509 /nfs/dbraw/zinc/74/65/09/142746509.db2.gz PKEUNHFDTICUSS-HNNXBMFYSA-N 2 1 347.450 1.581 20 0 EDADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000345751580 143128874 /nfs/dbraw/zinc/12/88/74/143128874.db2.gz CRPLIASAKXJWGI-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000346031954 143159573 /nfs/dbraw/zinc/15/95/73/143159573.db2.gz NDBFOGQWECGVHM-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000346031954 143159574 /nfs/dbraw/zinc/15/95/74/143159574.db2.gz NDBFOGQWECGVHM-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000346031954 143159575 /nfs/dbraw/zinc/15/95/75/143159575.db2.gz NDBFOGQWECGVHM-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000346031954 143159576 /nfs/dbraw/zinc/15/95/76/143159576.db2.gz NDBFOGQWECGVHM-LJQANCHMSA-N 2 1 345.487 1.830 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)C1 ZINC000346325509 143192169 /nfs/dbraw/zinc/19/21/69/143192169.db2.gz NZYSSKYQUUGXJL-GOSISDBHSA-N 2 1 335.492 1.576 20 0 EDADMP COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000347100713 143282743 /nfs/dbraw/zinc/28/27/43/143282743.db2.gz LXNMRRCVBSJKIJ-HNNXBMFYSA-N 2 1 335.423 1.478 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000347164083 143289775 /nfs/dbraw/zinc/28/97/75/143289775.db2.gz PGSLLMMSDVSHIN-AEFFLSMTSA-N 2 1 348.491 1.435 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000347164083 143289776 /nfs/dbraw/zinc/28/97/76/143289776.db2.gz PGSLLMMSDVSHIN-AEFFLSMTSA-N 2 1 348.491 1.435 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000347164083 143289777 /nfs/dbraw/zinc/28/97/77/143289777.db2.gz PGSLLMMSDVSHIN-AEFFLSMTSA-N 2 1 348.491 1.435 20 0 EDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)nn(CC(=O)OC(C)C)c2C)C1 ZINC000347224809 143297142 /nfs/dbraw/zinc/29/71/42/143297142.db2.gz VNDLCMWOPWWCHH-INIZCTEOSA-N 2 1 336.480 1.883 20 0 EDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)nn(CC(=O)OC(C)C)c2C)C1 ZINC000347224809 143297143 /nfs/dbraw/zinc/29/71/43/143297143.db2.gz VNDLCMWOPWWCHH-INIZCTEOSA-N 2 1 336.480 1.883 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@@H+](C)C1 ZINC000347314413 143307224 /nfs/dbraw/zinc/30/72/24/143307224.db2.gz RCYZNEVNARIXJS-BZUAXINKSA-N 2 1 342.528 1.713 20 0 EDADMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCCC[NH+]1CCOCC1 ZINC000347539406 143332900 /nfs/dbraw/zinc/33/29/00/143332900.db2.gz KSLNTGJYOCNUNU-IRXDYDNUSA-N 2 1 325.497 1.868 20 0 EDADMP CCOC(=O)COCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000347739154 143356604 /nfs/dbraw/zinc/35/66/04/143356604.db2.gz OVELZPDBMTVSAQ-IRXDYDNUSA-N 2 1 341.496 1.057 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347791182 143363538 /nfs/dbraw/zinc/36/35/38/143363538.db2.gz UQQOLIBRAZWJAU-CQSZACIVSA-N 2 1 340.537 1.729 20 0 EDADMP CC(C)[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000347866879 143372337 /nfs/dbraw/zinc/37/23/37/143372337.db2.gz LCGYYEPERDWXIP-KBAYOESNSA-N 2 1 349.523 1.848 20 0 EDADMP [NH3+]CC1CCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000416855926 304352068 /nfs/dbraw/zinc/35/20/68/304352068.db2.gz AEQDTKSCIZGAPS-UHFFFAOYSA-N 2 1 346.475 1.399 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CCC[C@H]1C[NH3+])[NH+](C)C ZINC000416855598 304352159 /nfs/dbraw/zinc/35/21/59/304352159.db2.gz WBMVSFIAPSGODY-IMJJTQAJSA-N 2 1 334.464 1.725 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000416859151 304352325 /nfs/dbraw/zinc/35/23/25/304352325.db2.gz ZNYNZXQEJJSERL-FMKPAKJESA-N 2 1 334.464 1.738 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000416867011 304353132 /nfs/dbraw/zinc/35/31/32/304353132.db2.gz KVVVDMFLXPORKI-HOTGVXAUSA-N 2 1 328.501 1.358 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000352639967 149098275 /nfs/dbraw/zinc/09/82/75/149098275.db2.gz JXPMXKMHSBUNRY-PKOBYXMFSA-N 2 1 347.503 1.791 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N(C)C1CC([NH3+])C1)[NH+]1CCOCC1 ZINC000416959518 304355363 /nfs/dbraw/zinc/35/53/63/304355363.db2.gz QDZKLVVZAPBGIC-UYSNPLJNSA-N 2 1 326.485 1.255 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000416960642 304355643 /nfs/dbraw/zinc/35/56/43/304355643.db2.gz RGQKCFCJXVRRRF-SJORKVTESA-N 2 1 341.544 1.273 20 0 EDADMP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC[NH+]2CCSCC2)C1 ZINC000353394441 149390307 /nfs/dbraw/zinc/39/03/07/149390307.db2.gz FIQNFUPSDJGTFU-GJZGRUSLSA-N 2 1 326.510 1.161 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC[NH+]2CCSCC2)C1 ZINC000353394441 149390310 /nfs/dbraw/zinc/39/03/10/149390310.db2.gz FIQNFUPSDJGTFU-GJZGRUSLSA-N 2 1 326.510 1.161 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(CC[NH3+])CCO)C1 ZINC000416964675 304356440 /nfs/dbraw/zinc/35/64/40/304356440.db2.gz CHCFNNKLNITLMR-MRXNPFEDSA-N 2 1 348.491 1.381 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[NH+]1CCOCC1 ZINC000416966490 304356567 /nfs/dbraw/zinc/35/65/67/304356567.db2.gz YJIIUGNBIPRYPJ-UXLLHSPISA-N 2 1 340.512 1.502 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[NH2+]Cc2cncs2)cc[nH+]1 ZINC000354918513 150031239 /nfs/dbraw/zinc/03/12/39/150031239.db2.gz ILKKTIVIQIUEAT-NWDGAFQWSA-N 2 1 336.440 1.706 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)cn2)CC1 ZINC000355224533 150172453 /nfs/dbraw/zinc/17/24/53/150172453.db2.gz QOZJHLYWRIGRCA-QZTJIDSGSA-N 2 1 345.491 1.477 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)cn2)CC1 ZINC000355224533 150172458 /nfs/dbraw/zinc/17/24/58/150172458.db2.gz QOZJHLYWRIGRCA-QZTJIDSGSA-N 2 1 345.491 1.477 20 0 EDADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCSCC1 ZINC000355490586 150290397 /nfs/dbraw/zinc/29/03/97/150290397.db2.gz DUFKOAABDDWLIU-HNNXBMFYSA-N 2 1 328.526 1.599 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCSCC1 ZINC000355490586 150290399 /nfs/dbraw/zinc/29/03/99/150290399.db2.gz DUFKOAABDDWLIU-HNNXBMFYSA-N 2 1 328.526 1.599 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000417044036 304365467 /nfs/dbraw/zinc/36/54/67/304365467.db2.gz MLDZLEHJZNOQIH-XHSDSOJGSA-N 2 1 326.485 1.114 20 0 EDADMP C[C@@H](CNC(=O)N1CCC[C@@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417046920 304366184 /nfs/dbraw/zinc/36/61/84/304366184.db2.gz UGCYZXTVQSZBLM-DLBZAZTESA-N 2 1 345.491 1.330 20 0 EDADMP C[C@H](C[NH3+])N(C)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417046926 304366340 /nfs/dbraw/zinc/36/63/40/304366340.db2.gz UGPNLIHHZXAYPI-CVEARBPZSA-N 2 1 333.480 1.186 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417046770 304366347 /nfs/dbraw/zinc/36/63/47/304366347.db2.gz PRYKQZJVTVBIMI-UHFFFAOYSA-N 2 1 339.528 1.365 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000357504150 151050516 /nfs/dbraw/zinc/05/05/16/151050516.db2.gz VCKORDXIWKVUJO-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000357504150 151050518 /nfs/dbraw/zinc/05/05/18/151050518.db2.gz VCKORDXIWKVUJO-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000357504150 151050522 /nfs/dbraw/zinc/05/05/22/151050522.db2.gz VCKORDXIWKVUJO-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000357504150 151050523 /nfs/dbraw/zinc/05/05/23/151050523.db2.gz VCKORDXIWKVUJO-INIZCTEOSA-N 2 1 325.497 1.820 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000358092153 151267087 /nfs/dbraw/zinc/26/70/87/151267087.db2.gz GNNVNNJLCZMTGI-HZPDHXFCSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000358092153 151267091 /nfs/dbraw/zinc/26/70/91/151267091.db2.gz GNNVNNJLCZMTGI-HZPDHXFCSA-N 2 1 340.512 1.071 20 0 EDADMP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000358092153 151267093 /nfs/dbraw/zinc/26/70/93/151267093.db2.gz GNNVNNJLCZMTGI-HZPDHXFCSA-N 2 1 340.512 1.071 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000358096089 151269092 /nfs/dbraw/zinc/26/90/92/151269092.db2.gz DXCYPMZNVLOJOX-CVEARBPZSA-N 2 1 336.480 1.001 20 0 EDADMP C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)C1=CC[N@@H+](C)CC1 ZINC000358107698 151273366 /nfs/dbraw/zinc/27/33/66/151273366.db2.gz ZKRJAGVHXJUYRO-XJKSGUPXSA-N 2 1 326.510 1.373 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000358158013 151290904 /nfs/dbraw/zinc/29/09/04/151290904.db2.gz HYAKIUOAJFLNFN-MRXNPFEDSA-N 2 1 326.824 1.658 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000358158013 151290905 /nfs/dbraw/zinc/29/09/05/151290905.db2.gz HYAKIUOAJFLNFN-MRXNPFEDSA-N 2 1 326.824 1.658 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOC)[C@@H](C)C1 ZINC000358311150 151333616 /nfs/dbraw/zinc/33/36/16/151333616.db2.gz KMGHVGSOZZQUMB-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOC)[C@@H](C)C1 ZINC000358311150 151333618 /nfs/dbraw/zinc/33/36/18/151333618.db2.gz KMGHVGSOZZQUMB-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000358311150 151333621 /nfs/dbraw/zinc/33/36/21/151333621.db2.gz KMGHVGSOZZQUMB-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000358311150 151333623 /nfs/dbraw/zinc/33/36/23/151333623.db2.gz KMGHVGSOZZQUMB-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000417090958 304371686 /nfs/dbraw/zinc/37/16/86/304371686.db2.gz ZPNCJXSLNZJPMA-HKUYNNGSSA-N 2 1 348.466 1.994 20 0 EDADMP C[C@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000417090958 304371688 /nfs/dbraw/zinc/37/16/88/304371688.db2.gz ZPNCJXSLNZJPMA-HKUYNNGSSA-N 2 1 348.466 1.994 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000417091389 304371708 /nfs/dbraw/zinc/37/17/08/304371708.db2.gz JSWYTQJSDSZFCW-KRWDZBQOSA-N 2 1 334.464 1.141 20 0 EDADMP C[C@H](CNC(=O)N(C)C1CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000417092875 304372061 /nfs/dbraw/zinc/37/20/61/304372061.db2.gz ANCNPEUWIMFPGX-CYBMUJFWSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CNC(=O)N(C)C1CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000417092875 304372065 /nfs/dbraw/zinc/37/20/65/304372065.db2.gz ANCNPEUWIMFPGX-CYBMUJFWSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000417101463 304372296 /nfs/dbraw/zinc/37/22/96/304372296.db2.gz HAFHFDXKSXJZPB-RVKKMQEKSA-N 2 1 346.475 1.538 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000417101463 304372298 /nfs/dbraw/zinc/37/22/98/304372298.db2.gz HAFHFDXKSXJZPB-RVKKMQEKSA-N 2 1 346.475 1.538 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417116960 304374129 /nfs/dbraw/zinc/37/41/29/304374129.db2.gz REGYJZOPFARTGH-RVKKMQEKSA-N 2 1 348.491 1.832 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417116960 304374132 /nfs/dbraw/zinc/37/41/32/304374132.db2.gz REGYJZOPFARTGH-RVKKMQEKSA-N 2 1 348.491 1.832 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCN1CCO[C@H](CC)C1 ZINC000360804998 152213108 /nfs/dbraw/zinc/21/31/08/152213108.db2.gz ZHLZUSAJNVPCKG-JKSUJKDBSA-N 2 1 328.501 1.517 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000417170102 304380295 /nfs/dbraw/zinc/38/02/95/304380295.db2.gz DZJUSNQBNHOFOT-MAUKXSAKSA-N 2 1 346.475 1.398 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000363948049 153105706 /nfs/dbraw/zinc/10/57/06/153105706.db2.gz PWCFGXAMPPCDNR-GDBMZVCRSA-N 2 1 330.432 1.038 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000363948049 153105710 /nfs/dbraw/zinc/10/57/10/153105710.db2.gz PWCFGXAMPPCDNR-GDBMZVCRSA-N 2 1 330.432 1.038 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000417192821 304382853 /nfs/dbraw/zinc/38/28/53/304382853.db2.gz ZIFOXOONXKVGBI-YJBOKZPZSA-N 2 1 346.475 1.445 20 0 EDADMP C[C@H]1CCC[N@H+](CCNC(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000364163546 153160727 /nfs/dbraw/zinc/16/07/27/153160727.db2.gz ZTQHTEJDNAMANH-HOTGVXAUSA-N 2 1 333.480 1.819 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000364163546 153160730 /nfs/dbraw/zinc/16/07/30/153160730.db2.gz ZTQHTEJDNAMANH-HOTGVXAUSA-N 2 1 333.480 1.819 20 0 EDADMP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000364305986 153201355 /nfs/dbraw/zinc/20/13/55/153201355.db2.gz QNXMWGLNMAZBJG-LTIDMASMSA-N 2 1 338.496 1.269 20 0 EDADMP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000364305986 153201357 /nfs/dbraw/zinc/20/13/57/153201357.db2.gz QNXMWGLNMAZBJG-LTIDMASMSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](CN1CCOCC1)N(C)C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000364359862 153216129 /nfs/dbraw/zinc/21/61/29/153216129.db2.gz UVCDBRSNQUBTDR-SJLPKXTDSA-N 2 1 331.460 1.440 20 0 EDADMP C[C@H](CN1CCOCC1)N(C)C(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000364359862 153216131 /nfs/dbraw/zinc/21/61/31/153216131.db2.gz UVCDBRSNQUBTDR-SJLPKXTDSA-N 2 1 331.460 1.440 20 0 EDADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000364382883 153222982 /nfs/dbraw/zinc/22/29/82/153222982.db2.gz POLGGRGPBLJDKR-HIFRSBDPSA-N 2 1 348.472 1.799 20 0 EDADMP O[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000364441407 153238709 /nfs/dbraw/zinc/23/87/09/153238709.db2.gz DXZQISCSQYHKIH-QZTJIDSGSA-N 2 1 328.456 1.600 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)CC[N@@H+]1C ZINC000364887413 153360764 /nfs/dbraw/zinc/36/07/64/153360764.db2.gz RXFJVTYQPBPJPX-JKSUJKDBSA-N 2 1 347.507 1.666 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)CC[N@H+]1C ZINC000364887413 153360766 /nfs/dbraw/zinc/36/07/66/153360766.db2.gz RXFJVTYQPBPJPX-JKSUJKDBSA-N 2 1 347.507 1.666 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)CC[NH+]1C ZINC000364887413 153360768 /nfs/dbraw/zinc/36/07/68/153360768.db2.gz RXFJVTYQPBPJPX-JKSUJKDBSA-N 2 1 347.507 1.666 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)CC[NH+]1C ZINC000364887413 153360772 /nfs/dbraw/zinc/36/07/72/153360772.db2.gz RXFJVTYQPBPJPX-JKSUJKDBSA-N 2 1 347.507 1.666 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417279424 304388978 /nfs/dbraw/zinc/38/89/78/304388978.db2.gz ZLMKDKCCKJPKNM-DZGCQCFKSA-N 2 1 334.489 1.357 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417279424 304388980 /nfs/dbraw/zinc/38/89/80/304388980.db2.gz ZLMKDKCCKJPKNM-DZGCQCFKSA-N 2 1 334.489 1.357 20 0 EDADMP CCn1nccc1CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000367256806 154056840 /nfs/dbraw/zinc/05/68/40/154056840.db2.gz AZTHCQXWESKLDK-DFNIBXOVSA-N 2 1 331.508 1.688 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCN1CCNC1=O ZINC000367361984 154089040 /nfs/dbraw/zinc/08/90/40/154089040.db2.gz UELJDJCWMHQIMT-FUHWJXTLSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCN1CCNC1=O ZINC000367361984 154089042 /nfs/dbraw/zinc/08/90/42/154089042.db2.gz UELJDJCWMHQIMT-FUHWJXTLSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCN1CCNC1=O ZINC000367361984 154089046 /nfs/dbraw/zinc/08/90/46/154089046.db2.gz UELJDJCWMHQIMT-FUHWJXTLSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCN1CCNC1=O ZINC000367361984 154089050 /nfs/dbraw/zinc/08/90/50/154089050.db2.gz UELJDJCWMHQIMT-FUHWJXTLSA-N 2 1 330.476 1.854 20 0 EDADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000367851287 154298889 /nfs/dbraw/zinc/29/88/89/154298889.db2.gz UXLLZRWJHIVQJS-SFHVURJKSA-N 2 1 330.432 1.142 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000367851287 154298892 /nfs/dbraw/zinc/29/88/92/154298892.db2.gz UXLLZRWJHIVQJS-SFHVURJKSA-N 2 1 330.432 1.142 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000367851287 154298894 /nfs/dbraw/zinc/29/88/94/154298894.db2.gz UXLLZRWJHIVQJS-SFHVURJKSA-N 2 1 330.432 1.142 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N[C@@H](C)CC[NH+](C)C)CC2)[nH+]1 ZINC000369432817 155030687 /nfs/dbraw/zinc/03/06/87/155030687.db2.gz MMDKXRCQPXWTSY-HNNXBMFYSA-N 2 1 333.480 1.998 20 0 EDADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000369610225 155109895 /nfs/dbraw/zinc/10/98/95/155109895.db2.gz YYAJDSUSDLOVIG-HZPDHXFCSA-N 2 1 333.480 1.200 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)C(C)C ZINC000417454880 304397362 /nfs/dbraw/zinc/39/73/62/304397362.db2.gz CZGAFRQWUFFXNS-UHFFFAOYSA-N 2 1 339.528 1.232 20 0 EDADMP CC[N@H+](CCNC(=O)NC1CCC([NH+]2CCNCC2)CC1)C(C)C ZINC000417454880 304397363 /nfs/dbraw/zinc/39/73/63/304397363.db2.gz CZGAFRQWUFFXNS-UHFFFAOYSA-N 2 1 339.528 1.232 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CCC([NH+]2CCNCC2)CC1)C(C)C ZINC000417454880 304397364 /nfs/dbraw/zinc/39/73/64/304397364.db2.gz CZGAFRQWUFFXNS-UHFFFAOYSA-N 2 1 339.528 1.232 20 0 EDADMP Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371704640 156070440 /nfs/dbraw/zinc/07/04/40/156070440.db2.gz XOWILZCZUSCERZ-DOMZBBRYSA-N 2 1 333.480 1.415 20 0 EDADMP Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371704640 156070444 /nfs/dbraw/zinc/07/04/44/156070444.db2.gz XOWILZCZUSCERZ-DOMZBBRYSA-N 2 1 333.480 1.415 20 0 EDADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000372055812 156227713 /nfs/dbraw/zinc/22/77/13/156227713.db2.gz VKASFVGPXSFESC-AKHDSKFASA-N 3 1 341.540 1.822 20 0 EDADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000372055812 156227715 /nfs/dbraw/zinc/22/77/15/156227715.db2.gz VKASFVGPXSFESC-AKHDSKFASA-N 2 1 341.540 1.822 20 0 EDADMP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374285816 157225997 /nfs/dbraw/zinc/22/59/97/157225997.db2.gz DLOPGKUYCFXWFK-UONOGXRCSA-N 2 1 336.480 1.417 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374298193 157230346 /nfs/dbraw/zinc/23/03/46/157230346.db2.gz UKDPNJANNAWMTD-QAPCUYQASA-N 2 1 330.476 1.243 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374298193 157230350 /nfs/dbraw/zinc/23/03/50/157230350.db2.gz UKDPNJANNAWMTD-QAPCUYQASA-N 2 1 330.476 1.243 20 0 EDADMP CC(C)Cn1cc(CN2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@H]2C)cn1 ZINC000374716183 157375429 /nfs/dbraw/zinc/37/54/29/157375429.db2.gz KXKUUYXZPVHWME-MJGOQNOKSA-N 2 1 349.523 1.376 20 0 EDADMP CC(C)Cn1cc(CN2CCN(C[C@@H]3CN(C)CCO3)C[C@H]2C)cn1 ZINC000374716183 157375431 /nfs/dbraw/zinc/37/54/31/157375431.db2.gz KXKUUYXZPVHWME-MJGOQNOKSA-N 2 1 349.523 1.376 20 0 EDADMP Cc1nnc([C@H]2CC23CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC3)o1 ZINC000374776277 157396975 /nfs/dbraw/zinc/39/69/75/157396975.db2.gz JDTIZCWQIRQTGO-OAHLLOKOSA-N 2 1 347.463 1.112 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000377932588 158032315 /nfs/dbraw/zinc/03/23/15/158032315.db2.gz NFAVEYZGYJFART-WMLDXEAASA-N 2 1 329.460 1.426 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377932588 158032318 /nfs/dbraw/zinc/03/23/18/158032318.db2.gz NFAVEYZGYJFART-WMLDXEAASA-N 2 1 329.460 1.426 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377932588 158032320 /nfs/dbraw/zinc/03/23/20/158032320.db2.gz NFAVEYZGYJFART-WMLDXEAASA-N 2 1 329.460 1.426 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c[nH]c4nccnc34)C2)CC1 ZINC000378141777 158090866 /nfs/dbraw/zinc/09/08/66/158090866.db2.gz QZZWCWRHXMMWHJ-MRXNPFEDSA-N 2 1 328.464 1.510 20 0 EDADMP Cc1[nH+]c(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c2n1CCCC2 ZINC000378434352 158172562 /nfs/dbraw/zinc/17/25/62/158172562.db2.gz RIZADVGXRUFYOI-ZFWWWQNUSA-N 2 1 331.464 1.906 20 0 EDADMP Cc1[nH+]c(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c2n1CCCC2 ZINC000378434352 158172565 /nfs/dbraw/zinc/17/25/65/158172565.db2.gz RIZADVGXRUFYOI-ZFWWWQNUSA-N 2 1 331.464 1.906 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000352208907 162052141 /nfs/dbraw/zinc/05/21/41/162052141.db2.gz VXURNLJAQBHRCL-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322745 287002787 /nfs/dbraw/zinc/00/27/87/287002787.db2.gz FGMIQALNZWHSOX-BRWVUGGUSA-N 2 1 337.508 1.853 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NC(=O)NC1CCCCC1)CC[NH2+]CC2 ZINC000333541295 287236825 /nfs/dbraw/zinc/23/68/25/287236825.db2.gz HYWPJNWTXNFXCL-CQSZACIVSA-N 2 1 336.480 1.609 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000073676536 287262897 /nfs/dbraw/zinc/26/28/97/287262897.db2.gz QSIQEVRMQSBGGA-KRWDZBQOSA-N 2 1 340.512 1.472 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000080664709 287308743 /nfs/dbraw/zinc/30/87/43/287308743.db2.gz YBHACTFGXCVYTN-MRXNPFEDSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000080664709 287308744 /nfs/dbraw/zinc/30/87/44/287308744.db2.gz YBHACTFGXCVYTN-MRXNPFEDSA-N 2 1 338.496 1.223 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000120397962 287360605 /nfs/dbraw/zinc/36/06/05/287360605.db2.gz XBHXEMASVKEACF-HOCLYGCPSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@]1(O)CCCC1(C)C ZINC000665763223 452343222 /nfs/dbraw/zinc/34/32/22/452343222.db2.gz ZYMXHJUELBSPQB-YJBOKZPZSA-N 2 1 342.528 1.499 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@]1(O)CCCC1(C)C ZINC000665763223 452343230 /nfs/dbraw/zinc/34/32/30/452343230.db2.gz ZYMXHJUELBSPQB-YJBOKZPZSA-N 2 1 342.528 1.499 20 0 EDADMP CCC[NH2+]CCNC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000418492829 304502718 /nfs/dbraw/zinc/50/27/18/304502718.db2.gz WGLKWCKZABYQOJ-UHFFFAOYSA-N 2 1 347.507 1.450 20 0 EDADMP C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000275286065 268314469 /nfs/dbraw/zinc/31/44/69/268314469.db2.gz OSKHTWFTJXSRHJ-MSOLQXFVSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000275628978 273114894 /nfs/dbraw/zinc/11/48/94/273114894.db2.gz KLXWGWWKIFBVTB-HZPDHXFCSA-N 2 1 348.491 1.710 20 0 EDADMP COc1ncc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000284398487 274187582 /nfs/dbraw/zinc/18/75/82/274187582.db2.gz PNVNCVRNCDALPS-LBPRGKRZSA-N 2 1 340.855 1.558 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000359948870 276011690 /nfs/dbraw/zinc/01/16/90/276011690.db2.gz IHIWUOAKBDBOIX-IRXDYDNUSA-N 2 1 325.497 1.770 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000348303532 276105491 /nfs/dbraw/zinc/10/54/91/276105491.db2.gz PPMWLIWTWKISSY-ROUUACIJSA-N 3 1 338.540 1.641 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000048361296 276184980 /nfs/dbraw/zinc/18/49/80/276184980.db2.gz JEUFUNNHZOTTGA-INIZCTEOSA-N 2 1 333.480 1.233 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000048361296 276184983 /nfs/dbraw/zinc/18/49/83/276184983.db2.gz JEUFUNNHZOTTGA-INIZCTEOSA-N 2 1 333.480 1.233 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000359926720 276231840 /nfs/dbraw/zinc/23/18/40/276231840.db2.gz WBLHFIZVUJWIBE-XHSDSOJGSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000359926720 276231842 /nfs/dbraw/zinc/23/18/42/276231842.db2.gz WBLHFIZVUJWIBE-XHSDSOJGSA-N 2 1 328.501 1.203 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000359926720 276231844 /nfs/dbraw/zinc/23/18/44/276231844.db2.gz WBLHFIZVUJWIBE-XHSDSOJGSA-N 2 1 328.501 1.203 20 0 EDADMP CCOC1CC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)(N2CCOCC2)C1 ZINC000248887208 276309997 /nfs/dbraw/zinc/30/99/97/276309997.db2.gz MMKYNIWGNKBZOP-FDIDQYAWSA-N 2 1 339.524 1.575 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000376256636 276338871 /nfs/dbraw/zinc/33/88/71/276338871.db2.gz GHSDXYUGDCORLK-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1)C1CC1 ZINC000245394133 276345301 /nfs/dbraw/zinc/34/53/01/276345301.db2.gz XHIMZIAXUYEIHM-HNNXBMFYSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+](CCNC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)C1CC1 ZINC000245394133 276345303 /nfs/dbraw/zinc/34/53/03/276345303.db2.gz XHIMZIAXUYEIHM-HNNXBMFYSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+](CCNC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)C1CC1 ZINC000245394133 276345305 /nfs/dbraw/zinc/34/53/05/276345305.db2.gz XHIMZIAXUYEIHM-HNNXBMFYSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000248970114 276349478 /nfs/dbraw/zinc/34/94/78/276349478.db2.gz GMQDMLQGOBFAIQ-AEFFLSMTSA-N 2 1 348.491 1.263 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000248970114 276349480 /nfs/dbraw/zinc/34/94/80/276349480.db2.gz GMQDMLQGOBFAIQ-AEFFLSMTSA-N 2 1 348.491 1.263 20 0 EDADMP CC[NH+](CCO)CCNC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000248970114 276349481 /nfs/dbraw/zinc/34/94/81/276349481.db2.gz GMQDMLQGOBFAIQ-AEFFLSMTSA-N 2 1 348.491 1.263 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC000345548621 277151316 /nfs/dbraw/zinc/15/13/16/277151316.db2.gz DWLOPMVSVBWNMY-NJAFHUGGSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000345548621 277151318 /nfs/dbraw/zinc/15/13/18/277151318.db2.gz DWLOPMVSVBWNMY-NJAFHUGGSA-N 2 1 335.492 1.573 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000345548621 277151320 /nfs/dbraw/zinc/15/13/20/277151320.db2.gz DWLOPMVSVBWNMY-NJAFHUGGSA-N 2 1 335.492 1.573 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000119591496 277393719 /nfs/dbraw/zinc/39/37/19/277393719.db2.gz IQUNXFPYMCBQAU-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000119591496 277393721 /nfs/dbraw/zinc/39/37/21/277393721.db2.gz IQUNXFPYMCBQAU-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000119591496 277393722 /nfs/dbraw/zinc/39/37/22/277393722.db2.gz IQUNXFPYMCBQAU-MSOLQXFVSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248691794 278189368 /nfs/dbraw/zinc/18/93/68/278189368.db2.gz YAAJIOCSAXMJMK-VQHPVUNQSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000248691794 278189369 /nfs/dbraw/zinc/18/93/69/278189369.db2.gz YAAJIOCSAXMJMK-VQHPVUNQSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000248691794 278189370 /nfs/dbraw/zinc/18/93/70/278189370.db2.gz YAAJIOCSAXMJMK-VQHPVUNQSA-N 2 1 340.512 1.203 20 0 EDADMP CC1(C)C[NH+](CCOCC[N@H+]2CC[C@H](O)C(C)(C)C2)CC[C@@H]1O ZINC000446067267 278333444 /nfs/dbraw/zinc/33/34/44/278333444.db2.gz OBZLAYHSASVSFK-HOTGVXAUSA-N 2 1 328.497 1.189 20 0 EDADMP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354904411 278338252 /nfs/dbraw/zinc/33/82/52/278338252.db2.gz JQGRPOYUZIEQSV-ZWKOTPCHSA-N 2 1 340.508 1.741 20 0 EDADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497028035 288048177 /nfs/dbraw/zinc/04/81/77/288048177.db2.gz LPOAOIDSHHIAFP-KKUMJFAQSA-N 2 1 329.485 1.677 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2nccn2C)C1 ZINC000286772201 288082891 /nfs/dbraw/zinc/08/28/91/288082891.db2.gz HUNUWXBIFAXAGS-AWEZNQCLSA-N 2 1 349.479 1.053 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnn(CC(F)F)c1 ZINC000353499834 279329991 /nfs/dbraw/zinc/32/99/91/279329991.db2.gz DMPWGIZOZFJMBE-INIZCTEOSA-N 2 1 343.466 1.996 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@H+]3C[C@H]4[C@@H](C[NH+]5CCCC[C@@H]45)C3)C2=O)cn1 ZINC000377855025 279339846 /nfs/dbraw/zinc/33/98/46/279339846.db2.gz IRHRUNBNMGEOPP-DKIMLUQUSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@@H+]3C[C@H]4[C@@H](C[NH+]5CCCC[C@@H]45)C3)C2=O)cn1 ZINC000377855025 279339847 /nfs/dbraw/zinc/33/98/47/279339847.db2.gz IRHRUNBNMGEOPP-DKIMLUQUSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1cc(N2CCC[C@H]([NH+]3C[C@H]4[C@H](C3)C[N@@H+]3CCCC[C@@H]43)C2=O)cn1 ZINC000377855025 279339849 /nfs/dbraw/zinc/33/98/49/279339849.db2.gz IRHRUNBNMGEOPP-DKIMLUQUSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1cc(N2CCC[C@H]([NH+]3C[C@H]4[C@H](C3)C[N@H+]3CCCC[C@@H]43)C2=O)cn1 ZINC000377855025 279339850 /nfs/dbraw/zinc/33/98/50/279339850.db2.gz IRHRUNBNMGEOPP-DKIMLUQUSA-N 2 1 343.475 1.332 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000261659337 279675831 /nfs/dbraw/zinc/67/58/31/279675831.db2.gz FCSTUWFFFKZGSQ-ZWKOTPCHSA-N 2 1 331.460 1.653 20 0 EDADMP CC(C)[C@H](C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000373547434 280137405 /nfs/dbraw/zinc/13/74/05/280137405.db2.gz UTJINXJCFHIFFN-UYAOXDASSA-N 2 1 347.503 1.668 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)[NH+](C)C ZINC000347862207 280172764 /nfs/dbraw/zinc/17/27/64/280172764.db2.gz MRHITGMDCIXEBP-UAGQMJEPSA-N 2 1 335.496 1.505 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CC[C@H](C3CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000497157677 280311715 /nfs/dbraw/zinc/31/17/15/280311715.db2.gz CZUJYLFTPUHBJR-QFBILLFUSA-N 2 1 349.475 1.609 20 0 EDADMP CC[C@H]1CN(C(=O)CC2(C[NH3+])CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000423869853 288257407 /nfs/dbraw/zinc/25/74/07/288257407.db2.gz IYDZOGSBIBRDLK-IRXDYDNUSA-N 2 1 337.508 1.855 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000342567969 288307397 /nfs/dbraw/zinc/30/73/97/288307397.db2.gz LTXHSZMQFDTFBN-HYVNUMGLSA-N 2 1 337.533 1.899 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000262959562 288552503 /nfs/dbraw/zinc/55/25/03/288552503.db2.gz WJCQPPJJYXWVBD-NJAFHUGGSA-N 2 1 330.476 1.232 20 0 EDADMP C[NH+](C)C1CCC(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000422273035 289065269 /nfs/dbraw/zinc/06/52/69/289065269.db2.gz ZUPLQZXHIRRXIQ-PCKAHOCUSA-N 2 1 326.485 1.005 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000333705973 289186262 /nfs/dbraw/zinc/18/62/62/289186262.db2.gz SCDRALRJSQLCFN-GJZGRUSLSA-N 2 1 334.468 1.393 20 0 EDADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+]([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000333839717 295302804 /nfs/dbraw/zinc/30/28/04/295302804.db2.gz KXOJUMZXPGMHDT-HZSPNIEDSA-N 2 1 349.397 1.368 20 0 EDADMP C[C@@H]1C[C@H](C[N@H+]2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000496459128 297399742 /nfs/dbraw/zinc/39/97/42/297399742.db2.gz PCGAAAZOJCIREY-BZUAXINKSA-N 2 1 341.496 1.990 20 0 EDADMP C[C@@H]([NH3+])C1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000420291753 304743440 /nfs/dbraw/zinc/74/34/40/304743440.db2.gz KRMLGZQEHUNAIY-QAPCUYQASA-N 2 1 332.492 1.465 20 0 EDADMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C(=O)OC)cc1 ZINC000293945469 303042398 /nfs/dbraw/zinc/04/23/98/303042398.db2.gz YYNDULCSYYEYNT-QGZVFWFLSA-N 2 1 347.459 1.678 20 0 EDADMP C[C@H]([N@@H+](C)CC(=O)Nc1ccc(CN2CCOCC2)cc1)C(C)(C)O ZINC000295187872 303185774 /nfs/dbraw/zinc/18/57/74/303185774.db2.gz QPZAHGBSDFIYSU-HNNXBMFYSA-N 2 1 349.475 1.549 20 0 EDADMP C[C@H](N(C)CC(=O)Nc1ccc(CN2CCOCC2)cc1)C(C)(C)O ZINC000295187872 303185777 /nfs/dbraw/zinc/18/57/77/303185777.db2.gz QPZAHGBSDFIYSU-HNNXBMFYSA-N 2 1 349.475 1.549 20 0 EDADMP CCOC(=O)c1cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)[nH]c1C ZINC000296079565 303294373 /nfs/dbraw/zinc/29/43/73/303294373.db2.gz QJCRHVBCDIWOOW-UHFFFAOYSA-N 2 1 338.496 1.815 20 0 EDADMP Cc1cc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cn2cc[nH+]c12 ZINC000296837291 303340615 /nfs/dbraw/zinc/34/06/15/303340615.db2.gz JPDXQAFGIYNUIL-UHFFFAOYSA-N 3 1 344.463 1.790 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCN4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000414869579 447336624 /nfs/dbraw/zinc/33/66/24/447336624.db2.gz RKLRXDJABRADJZ-ZCNNSNEGSA-N 3 1 328.504 1.392 20 0 EDADMP O[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1F ZINC000360016430 303827104 /nfs/dbraw/zinc/82/71/04/303827104.db2.gz MZRUBOXSFORWFA-KRWDZBQOSA-N 2 1 338.423 1.018 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414884103 447343508 /nfs/dbraw/zinc/34/35/08/447343508.db2.gz UPBUUVKIRCHZOE-KRWDZBQOSA-N 2 1 344.459 1.261 20 0 EDADMP C[C@H]1C[C@H]1[N@H+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003532 305022230 /nfs/dbraw/zinc/02/22/30/305022230.db2.gz IQLBGUJCMKTFKB-UWVPOSKDSA-N 2 1 339.524 1.119 20 0 EDADMP C[C@H]1C[C@H]1[NH+]1CCN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003532 305022231 /nfs/dbraw/zinc/02/22/31/305022231.db2.gz IQLBGUJCMKTFKB-UWVPOSKDSA-N 2 1 339.524 1.119 20 0 EDADMP C[C@H]1C[C@H]1[NH+]1CCN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003532 305022232 /nfs/dbraw/zinc/02/22/32/305022232.db2.gz IQLBGUJCMKTFKB-UWVPOSKDSA-N 2 1 339.524 1.119 20 0 EDADMP C[C@@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@@H]1CN ZINC000430569948 305056308 /nfs/dbraw/zinc/05/63/08/305056308.db2.gz YCULUYMQYLSFIG-GDBMZVCRSA-N 2 1 332.448 1.462 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@@H]1CN ZINC000430569948 305056309 /nfs/dbraw/zinc/05/63/09/305056309.db2.gz YCULUYMQYLSFIG-GDBMZVCRSA-N 2 1 332.448 1.462 20 0 EDADMP C[C@@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@@H]1C[NH3+] ZINC000430569948 305056310 /nfs/dbraw/zinc/05/63/10/305056310.db2.gz YCULUYMQYLSFIG-GDBMZVCRSA-N 2 1 332.448 1.462 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@@H]1C[NH3+] ZINC000430569948 305056311 /nfs/dbraw/zinc/05/63/11/305056311.db2.gz YCULUYMQYLSFIG-GDBMZVCRSA-N 2 1 332.448 1.462 20 0 EDADMP Cc1nn(C)c(=O)c(-c2nc(C[NH+]3CCC(C[NH3+])CC3)cs2)c1C ZINC000430599230 305057941 /nfs/dbraw/zinc/05/79/41/305057941.db2.gz FWITYNROJZOCGP-UHFFFAOYSA-N 2 1 347.488 1.691 20 0 EDADMP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000430604399 305058239 /nfs/dbraw/zinc/05/82/39/305058239.db2.gz NBAHOXYMRILRQA-AWEZNQCLSA-N 2 1 326.444 1.723 20 0 EDADMP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000430604399 305058240 /nfs/dbraw/zinc/05/82/40/305058240.db2.gz NBAHOXYMRILRQA-AWEZNQCLSA-N 2 1 326.444 1.723 20 0 EDADMP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430610199 305058856 /nfs/dbraw/zinc/05/88/56/305058856.db2.gz JZYYTCXUEHNIMY-VXGBXAGGSA-N 2 1 349.460 1.646 20 0 EDADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430610199 305058857 /nfs/dbraw/zinc/05/88/57/305058857.db2.gz JZYYTCXUEHNIMY-VXGBXAGGSA-N 2 1 349.460 1.646 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430616868 305059152 /nfs/dbraw/zinc/05/91/52/305059152.db2.gz IJEHZBVLNBSCLS-RRFJBIMHSA-N 2 1 347.459 1.694 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430616868 305059153 /nfs/dbraw/zinc/05/91/53/305059153.db2.gz IJEHZBVLNBSCLS-RRFJBIMHSA-N 2 1 347.459 1.694 20 0 EDADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430624635 305059910 /nfs/dbraw/zinc/05/99/10/305059910.db2.gz ILOMMPLWHFXQEW-QWHCGFSZSA-N 2 1 343.431 1.183 20 0 EDADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430624635 305059911 /nfs/dbraw/zinc/05/99/11/305059911.db2.gz ILOMMPLWHFXQEW-QWHCGFSZSA-N 2 1 343.431 1.183 20 0 EDADMP O=C([C@H]1CCC[N@H+](CCOc2ccccc2F)C1)N1CC[NH2+]CC1 ZINC000430627455 305059985 /nfs/dbraw/zinc/05/99/85/305059985.db2.gz NHLNOWFRNHPQOA-HNNXBMFYSA-N 2 1 335.423 1.348 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430964202 305071305 /nfs/dbraw/zinc/07/13/05/305071305.db2.gz DCBDLZXWXWKVIK-HUUCEWRRSA-N 2 1 334.439 1.143 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430964202 305071306 /nfs/dbraw/zinc/07/13/06/305071306.db2.gz DCBDLZXWXWKVIK-HUUCEWRRSA-N 2 1 334.439 1.143 20 0 EDADMP CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000431005424 305072655 /nfs/dbraw/zinc/07/26/55/305072655.db2.gz KVSDMXUZDHFDKL-HNNXBMFYSA-N 2 1 338.883 1.706 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433279022 305104652 /nfs/dbraw/zinc/10/46/52/305104652.db2.gz NQYXNIINDNUJAP-INIZCTEOSA-N 2 1 340.512 1.659 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCSC1 ZINC000433919114 305114700 /nfs/dbraw/zinc/11/47/00/305114700.db2.gz KLPNICSRJXOVMC-NVXWUHKLSA-N 2 1 340.537 1.740 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)n1C ZINC000435552628 305142192 /nfs/dbraw/zinc/14/21/92/305142192.db2.gz UTTFTMIJTMESAX-OAHLLOKOSA-N 2 1 348.495 1.550 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)n1C ZINC000435552628 305142193 /nfs/dbraw/zinc/14/21/93/305142193.db2.gz UTTFTMIJTMESAX-OAHLLOKOSA-N 2 1 348.495 1.550 20 0 EDADMP CC[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435614549 305143400 /nfs/dbraw/zinc/14/34/00/305143400.db2.gz MSGBHUJFRIXCJR-OAHLLOKOSA-N 2 1 333.432 1.496 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435614549 305143401 /nfs/dbraw/zinc/14/34/01/305143401.db2.gz MSGBHUJFRIXCJR-OAHLLOKOSA-N 2 1 333.432 1.496 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC1CCCCC1 ZINC000436059397 305151813 /nfs/dbraw/zinc/15/18/13/305151813.db2.gz NQZPWRSVJONGDT-MRXNPFEDSA-N 2 1 338.496 1.002 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC1CCCCC1 ZINC000436059397 305151814 /nfs/dbraw/zinc/15/18/14/305151814.db2.gz NQZPWRSVJONGDT-MRXNPFEDSA-N 2 1 338.496 1.002 20 0 EDADMP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000442303351 305228380 /nfs/dbraw/zinc/22/83/80/305228380.db2.gz WZOZXACOXZEMDI-KBPBESRZSA-N 2 1 332.448 1.238 20 0 EDADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000442303351 305228381 /nfs/dbraw/zinc/22/83/81/305228381.db2.gz WZOZXACOXZEMDI-KBPBESRZSA-N 2 1 332.448 1.238 20 0 EDADMP CCC[C@@]1(COC)CCC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000447390806 305279759 /nfs/dbraw/zinc/27/97/59/305279759.db2.gz HLZFGMQVKCXFMP-SFHVURJKSA-N 2 1 325.497 1.868 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448262332 305295064 /nfs/dbraw/zinc/29/50/64/305295064.db2.gz WLDHFXJOTWUMDV-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448262332 305295065 /nfs/dbraw/zinc/29/50/65/305295065.db2.gz WLDHFXJOTWUMDV-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC[N@H+](C2CC2)C1 ZINC000452170796 305385760 /nfs/dbraw/zinc/38/57/60/305385760.db2.gz JCUDOFJGIBOAFN-CRAIPNDOSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+](C2CC2)C1 ZINC000452170796 305385761 /nfs/dbraw/zinc/38/57/61/305385761.db2.gz JCUDOFJGIBOAFN-CRAIPNDOSA-N 2 1 335.492 1.573 20 0 EDADMP C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC[NH+](C2CC2)C1 ZINC000452170796 305385762 /nfs/dbraw/zinc/38/57/62/305385762.db2.gz JCUDOFJGIBOAFN-CRAIPNDOSA-N 2 1 335.492 1.573 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414909787 447353197 /nfs/dbraw/zinc/35/31/97/447353197.db2.gz CKRLNQOORZAVHO-QGZVFWFLSA-N 2 1 344.459 1.214 20 0 EDADMP CSCC[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)C(=O)N(C)C ZINC000425896979 447353720 /nfs/dbraw/zinc/35/37/20/447353720.db2.gz RVMOXVIOXAWSAP-AWEZNQCLSA-N 2 1 340.493 1.441 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@H]1[NH+]1CCOCC1 ZINC000517137717 305748375 /nfs/dbraw/zinc/74/83/75/305748375.db2.gz NZWGCGBNFLSDFS-AYOQOUSVSA-N 2 1 343.471 1.443 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000522800688 305805835 /nfs/dbraw/zinc/80/58/35/305805835.db2.gz APSOVQCDDAWGDL-QZTJIDSGSA-N 2 1 336.524 1.489 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn3ccnc3s2)CC1 ZINC000526047322 305833156 /nfs/dbraw/zinc/83/31/56/305833156.db2.gz QWVMCMFKNGNYJN-UHFFFAOYSA-N 2 1 342.428 1.795 20 0 EDADMP C[NH+]1CCC(O)(C[NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527664301 305855207 /nfs/dbraw/zinc/85/52/07/305855207.db2.gz IIQWGVCNPMMELD-UHFFFAOYSA-N 2 1 332.217 1.530 20 0 EDADMP C[N@H+]1CC[C@](O)(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000547297987 306098119 /nfs/dbraw/zinc/09/81/19/306098119.db2.gz MQBGDPJHYXQXKM-IBGZPJMESA-N 2 1 346.475 1.148 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000548459668 306128436 /nfs/dbraw/zinc/12/84/36/306128436.db2.gz PSHUMSZHFBPOAP-OAGGEKHMSA-N 2 1 325.497 1.913 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cn2cc[nH+]c12 ZINC000550811060 306154342 /nfs/dbraw/zinc/15/43/42/306154342.db2.gz UVTNDGRGKXIWDU-ZDUSSCGKSA-N 2 1 329.404 1.039 20 0 EDADMP Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cn2cc[nH+]c12 ZINC000550811060 306154343 /nfs/dbraw/zinc/15/43/43/306154343.db2.gz UVTNDGRGKXIWDU-ZDUSSCGKSA-N 2 1 329.404 1.039 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000555596782 306203717 /nfs/dbraw/zinc/20/37/17/306203717.db2.gz DNSRBTDGYUHKDZ-FQEVSTJZSA-N 2 1 343.471 1.793 20 0 EDADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000555596782 306203720 /nfs/dbraw/zinc/20/37/20/306203720.db2.gz DNSRBTDGYUHKDZ-FQEVSTJZSA-N 2 1 343.471 1.793 20 0 EDADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000555596782 306203721 /nfs/dbraw/zinc/20/37/21/306203721.db2.gz DNSRBTDGYUHKDZ-FQEVSTJZSA-N 2 1 343.471 1.793 20 0 EDADMP C[NH2+]CCN(C)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000557167175 306225376 /nfs/dbraw/zinc/22/53/76/306225376.db2.gz KPUZCAWSJRMUEW-DOTOQJQBSA-N 2 1 334.464 1.137 20 0 EDADMP C[NH2+]CCN(C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000557167175 306225377 /nfs/dbraw/zinc/22/53/77/306225377.db2.gz KPUZCAWSJRMUEW-DOTOQJQBSA-N 2 1 334.464 1.137 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414949512 447371248 /nfs/dbraw/zinc/37/12/48/447371248.db2.gz ZTLZLQUHEDMHDO-DVOMOZLQSA-N 2 1 332.448 1.490 20 0 EDADMP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000414955529 447372602 /nfs/dbraw/zinc/37/26/02/447372602.db2.gz OLIXWPPLRACVPC-DZKIICNBSA-N 2 1 339.480 1.297 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000665356779 453664171 /nfs/dbraw/zinc/66/41/71/453664171.db2.gz XTPUOLZNVAOILJ-GJZGRUSLSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000665356779 453664174 /nfs/dbraw/zinc/66/41/74/453664174.db2.gz XTPUOLZNVAOILJ-GJZGRUSLSA-N 2 1 326.485 1.005 20 0 EDADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000665356779 453664178 /nfs/dbraw/zinc/66/41/78/453664178.db2.gz XTPUOLZNVAOILJ-GJZGRUSLSA-N 2 1 326.485 1.005 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000426390197 447433049 /nfs/dbraw/zinc/43/30/49/447433049.db2.gz IFDMCTCORLGCCM-MSOLQXFVSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426390197 447433057 /nfs/dbraw/zinc/43/30/57/447433057.db2.gz IFDMCTCORLGCCM-MSOLQXFVSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426390197 447433064 /nfs/dbraw/zinc/43/30/64/447433064.db2.gz IFDMCTCORLGCCM-MSOLQXFVSA-N 2 1 334.508 1.242 20 0 EDADMP COc1ccc(Br)cc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148968 441141586 /nfs/dbraw/zinc/14/15/86/441141586.db2.gz COSQGHXMUDITAQ-UHFFFAOYSA-N 2 1 342.281 1.795 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000063737437 441348264 /nfs/dbraw/zinc/34/82/64/441348264.db2.gz XGCBWKZQSMZPJM-QGZVFWFLSA-N 2 1 346.519 1.894 20 0 EDADMP C[NH+](C)CC1(CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CCCC1 ZINC000458655262 447439859 /nfs/dbraw/zinc/43/98/59/447439859.db2.gz LLXROGIDIRZWGE-INIZCTEOSA-N 2 1 340.512 1.254 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000083695678 441367628 /nfs/dbraw/zinc/36/76/28/441367628.db2.gz YCANWKZKXISOMT-CQSZACIVSA-N 2 1 336.484 1.550 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000083695678 441367631 /nfs/dbraw/zinc/36/76/31/441367631.db2.gz YCANWKZKXISOMT-CQSZACIVSA-N 2 1 336.484 1.550 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C(=O)N(C)C)c3)C2)CC1 ZINC000107368140 441412094 /nfs/dbraw/zinc/41/20/94/441412094.db2.gz FRTPZXWNSPYLQM-IBGZPJMESA-N 2 1 344.503 1.600 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCc3ccccn3)CC2)CC1 ZINC000108873266 441479404 /nfs/dbraw/zinc/47/94/04/441479404.db2.gz SEDDTZGUFGPRPT-UHFFFAOYSA-N 2 1 344.503 1.890 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000108572297 441466620 /nfs/dbraw/zinc/46/66/20/441466620.db2.gz WNUVFIXOHPJTKS-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[N@@H+](CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCSC1 ZINC000089393249 441545720 /nfs/dbraw/zinc/54/57/20/441545720.db2.gz MBDPKXYWAOERGK-QGZVFWFLSA-N 2 1 348.516 1.852 20 0 EDADMP CC(C)[C@@H](C(=O)NCCC[NH+](C)C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066915588 441585482 /nfs/dbraw/zinc/58/54/82/441585482.db2.gz MWOWVSOWARINEK-BBWFWOEESA-N 2 1 327.513 1.967 20 0 EDADMP CC(C)[C@@H](C(=O)NCCC[NH+](C)C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066915588 441585486 /nfs/dbraw/zinc/58/54/86/441585486.db2.gz MWOWVSOWARINEK-BBWFWOEESA-N 2 1 327.513 1.967 20 0 EDADMP CC(C)[C@@H](C(=O)NCCC[N@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066915588 441585489 /nfs/dbraw/zinc/58/54/89/441585489.db2.gz MWOWVSOWARINEK-BBWFWOEESA-N 2 1 327.513 1.967 20 0 EDADMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066915588 441585491 /nfs/dbraw/zinc/58/54/91/441585491.db2.gz MWOWVSOWARINEK-BBWFWOEESA-N 2 1 327.513 1.967 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000114074647 441633858 /nfs/dbraw/zinc/63/38/58/441633858.db2.gz XYTWMARXCQBPLA-KSSFIOAISA-N 2 1 348.466 1.849 20 0 EDADMP CCc1ccc([C@@H](CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000121931234 441814125 /nfs/dbraw/zinc/81/41/25/441814125.db2.gz XGFJRFBLBDSOFX-VQIMIIECSA-N 2 1 346.519 1.604 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc2c(c1)CCO2 ZINC000122946162 441869959 /nfs/dbraw/zinc/86/99/59/441869959.db2.gz FDEYYVBZWLZLBT-UHFFFAOYSA-N 2 1 331.460 1.720 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000139699315 441823717 /nfs/dbraw/zinc/82/37/17/441823717.db2.gz BFMXDTLXVWUNNP-SFHVURJKSA-N 2 1 346.475 1.412 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000139699315 441823723 /nfs/dbraw/zinc/82/37/23/441823723.db2.gz BFMXDTLXVWUNNP-SFHVURJKSA-N 2 1 346.475 1.412 20 0 EDADMP C[N@@H+](CCCNC(=O)NCC1(O)CC[NH+](C)CC1)Cc1ccccc1 ZINC000077756416 441848319 /nfs/dbraw/zinc/84/83/19/441848319.db2.gz CDCGREOQSSFAGR-UHFFFAOYSA-N 2 1 348.491 1.264 20 0 EDADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1N(C)C ZINC000093944689 441901333 /nfs/dbraw/zinc/90/13/33/441901333.db2.gz XFDDHFJPGDOZAJ-CVEARBPZSA-N 2 1 332.492 1.991 20 0 EDADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1N(C)C ZINC000093944689 441901337 /nfs/dbraw/zinc/90/13/37/441901337.db2.gz XFDDHFJPGDOZAJ-CVEARBPZSA-N 2 1 332.492 1.991 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000093809092 441895943 /nfs/dbraw/zinc/89/59/43/441895943.db2.gz WELRWFGZHLWXEN-QGZVFWFLSA-N 2 1 344.503 1.916 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000174776252 441968430 /nfs/dbraw/zinc/96/84/30/441968430.db2.gz CGJBESKZXQNHKT-UHFFFAOYSA-N 2 1 348.491 1.312 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO)C1CC1 ZINC000125194445 441995156 /nfs/dbraw/zinc/99/51/56/441995156.db2.gz NMOWKDHIMAEBMC-LJQANCHMSA-N 2 1 345.487 1.744 20 0 EDADMP CC[NH+](CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000125194445 441995161 /nfs/dbraw/zinc/99/51/61/441995161.db2.gz NMOWKDHIMAEBMC-LJQANCHMSA-N 2 1 345.487 1.744 20 0 EDADMP CC[NH+](CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000125194445 441995169 /nfs/dbraw/zinc/99/51/69/441995169.db2.gz NMOWKDHIMAEBMC-LJQANCHMSA-N 2 1 345.487 1.744 20 0 EDADMP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000079271733 442034050 /nfs/dbraw/zinc/03/40/50/442034050.db2.gz DVTBXEHMZLJDIB-SJORKVTESA-N 2 1 338.496 1.225 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000079271733 442034054 /nfs/dbraw/zinc/03/40/54/442034054.db2.gz DVTBXEHMZLJDIB-SJORKVTESA-N 2 1 338.496 1.225 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[NH+](C)CC2)CC1 ZINC000079796773 442086192 /nfs/dbraw/zinc/08/61/92/442086192.db2.gz RORPXTKMLUVWRE-UHFFFAOYSA-N 2 1 344.503 1.323 20 0 EDADMP C[NH+]1CCC(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000175863287 442136501 /nfs/dbraw/zinc/13/65/01/442136501.db2.gz LLNVEONATVWYMQ-LJQANCHMSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCC(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000175863287 442136503 /nfs/dbraw/zinc/13/65/03/442136503.db2.gz LLNVEONATVWYMQ-LJQANCHMSA-N 2 1 345.487 1.736 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000176272754 442203909 /nfs/dbraw/zinc/20/39/09/442203909.db2.gz OXXYPUFILBDQLK-INIZCTEOSA-N 2 1 326.485 1.269 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CCCC[NH+]1CCOCC1)c1ccccc1 ZINC000170693159 442250188 /nfs/dbraw/zinc/25/01/88/442250188.db2.gz CKJFSYYGTWADMD-GOSISDBHSA-N 2 1 333.476 1.908 20 0 EDADMP C[C@H]1CCCC[C@H]1OCCNC(=O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152495348 442219711 /nfs/dbraw/zinc/21/97/11/442219711.db2.gz YNDMFGVXEWVFKR-RCCFBDPRSA-N 2 1 339.524 1.972 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)oc1C ZINC000168625510 442224511 /nfs/dbraw/zinc/22/45/11/442224511.db2.gz HCYHAEIGLIXDFK-JKSUJKDBSA-N 2 1 334.464 1.747 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000153121110 442262693 /nfs/dbraw/zinc/26/26/93/442262693.db2.gz JTPQFESXLCGXTH-QGZVFWFLSA-N 2 1 333.476 1.734 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000153121110 442262695 /nfs/dbraw/zinc/26/26/95/442262695.db2.gz JTPQFESXLCGXTH-QGZVFWFLSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000153121110 442262696 /nfs/dbraw/zinc/26/26/96/442262696.db2.gz JTPQFESXLCGXTH-QGZVFWFLSA-N 2 1 333.476 1.734 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000153121110 442262699 /nfs/dbraw/zinc/26/26/99/442262699.db2.gz JTPQFESXLCGXTH-QGZVFWFLSA-N 2 1 333.476 1.734 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000171198262 442325933 /nfs/dbraw/zinc/32/59/33/442325933.db2.gz MKKGCWOOGALUMW-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000171198262 442325938 /nfs/dbraw/zinc/32/59/38/442325938.db2.gz MKKGCWOOGALUMW-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000171198262 442325941 /nfs/dbraw/zinc/32/59/41/442325941.db2.gz MKKGCWOOGALUMW-GOSISDBHSA-N 2 1 348.491 1.528 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](NC(C)=O)C2)CC1 ZINC000153909256 442310675 /nfs/dbraw/zinc/31/06/75/442310675.db2.gz MJQXPWIRZFQJES-IBGZPJMESA-N 2 1 344.503 1.929 20 0 EDADMP C[C@H]1C[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C[N@H+]1C1CC1 ZINC000177221093 442315434 /nfs/dbraw/zinc/31/54/34/442315434.db2.gz NGZGEEOETQHASF-HOTGVXAUSA-N 2 1 335.492 1.763 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000178811865 442492519 /nfs/dbraw/zinc/49/25/19/442492519.db2.gz FKZGSJNJRGPXTJ-QGZVFWFLSA-N 2 1 344.503 1.390 20 0 EDADMP COC(=O)[C@@H](C)N(Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCC1 ZINC000191646244 442482843 /nfs/dbraw/zinc/48/28/43/442482843.db2.gz LBHQTFLEVQSUIA-CQSZACIVSA-N 2 1 347.463 1.144 20 0 EDADMP CCC[N@H+](CC(=O)OC)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000172731880 442528188 /nfs/dbraw/zinc/52/81/88/442528188.db2.gz WINNIJOMTUFDQQ-HNNXBMFYSA-N 2 1 333.432 1.899 20 0 EDADMP CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)[NH+]1CCOCC1 ZINC000157398946 442580072 /nfs/dbraw/zinc/58/00/72/442580072.db2.gz RBMNQBHCOJDNPR-INIZCTEOSA-N 2 1 328.501 1.325 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2=O)cc1 ZINC000180441998 442603427 /nfs/dbraw/zinc/60/34/27/442603427.db2.gz GYOLWCGYFDITBI-RDTXWAMCSA-N 2 1 342.443 1.815 20 0 EDADMP C[C@@H](C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)[C@H](C)[NH3+] ZINC000192017592 442568982 /nfs/dbraw/zinc/56/89/82/442568982.db2.gz UJFDFDSZVNXINN-NEPJUHHUSA-N 2 1 325.375 1.083 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187974766 442701276 /nfs/dbraw/zinc/70/12/76/442701276.db2.gz WLBHIEAKCALRCK-CEXWTWQISA-N 2 1 345.487 1.734 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187974798 442701304 /nfs/dbraw/zinc/70/13/04/442701304.db2.gz WLBHIEAKCALRCK-GBESFXJTSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000193291707 442729887 /nfs/dbraw/zinc/72/98/87/442729887.db2.gz JUZLHXTXPARKNO-UHFFFAOYSA-N 2 1 331.460 1.308 20 0 EDADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182270339 442751950 /nfs/dbraw/zinc/75/19/50/442751950.db2.gz BPBHNYWFHBEXDM-APWZRJJASA-N 2 1 347.503 1.990 20 0 EDADMP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000182299658 442754708 /nfs/dbraw/zinc/75/47/08/442754708.db2.gz MTNMFNBACJSNJV-GOSISDBHSA-N 2 1 348.491 1.394 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193084872 442711602 /nfs/dbraw/zinc/71/16/02/442711602.db2.gz IMHGNZKXOFZRKI-UHFFFAOYSA-N 2 1 334.445 1.657 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000188515357 442759154 /nfs/dbraw/zinc/75/91/54/442759154.db2.gz NKRIEQNYXHMFDI-HNNXBMFYSA-N 2 1 340.512 1.205 20 0 EDADMP CCn1nccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000188570508 442764573 /nfs/dbraw/zinc/76/45/73/442764573.db2.gz UQPVQBVTFIWFBE-OAGGEKHMSA-N 2 1 331.464 1.615 20 0 EDADMP CCn1nccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000188570508 442764575 /nfs/dbraw/zinc/76/45/75/442764575.db2.gz UQPVQBVTFIWFBE-OAGGEKHMSA-N 2 1 331.464 1.615 20 0 EDADMP C[NH+](CCOCC[N@H+](C)C[C@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000246472866 442783904 /nfs/dbraw/zinc/78/39/04/442783904.db2.gz JLYZWCSZJBGSSY-MHORFTMASA-N 2 1 328.497 1.189 20 0 EDADMP C[NH+](CCOCC[N@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@H]1CCC[C@@H]1O ZINC000246472866 442783907 /nfs/dbraw/zinc/78/39/07/442783907.db2.gz JLYZWCSZJBGSSY-MHORFTMASA-N 2 1 328.497 1.189 20 0 EDADMP C[NH+](CCOCC[N@@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@H]1CCC[C@@H]1O ZINC000246472866 442783909 /nfs/dbraw/zinc/78/39/09/442783909.db2.gz JLYZWCSZJBGSSY-MHORFTMASA-N 2 1 328.497 1.189 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCc2cn3cc(C)ccc3n2)C1 ZINC000265597890 442839705 /nfs/dbraw/zinc/83/97/05/442839705.db2.gz LLDGCXLKHXLRDI-CQSZACIVSA-N 2 1 331.420 1.163 20 0 EDADMP O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247396107 442852135 /nfs/dbraw/zinc/85/21/35/442852135.db2.gz QUCJVWCOMCZQNO-FGTMMUONSA-N 2 1 326.481 1.493 20 0 EDADMP Cc1ccc2cc(C[NH2+]CCC(=O)N3CC[NH+](C)CC3)ccc2n1 ZINC000189318664 442920178 /nfs/dbraw/zinc/92/01/78/442920178.db2.gz UQJMMSDPTDECGF-UHFFFAOYSA-N 2 1 326.444 1.797 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@H](C)C(C)C)[C@H](C)C1 ZINC000249288230 442963380 /nfs/dbraw/zinc/96/33/80/442963380.db2.gz LZBPRAUUOZBZRD-ZACQAIPSSA-N 2 1 327.513 1.874 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@H](C)C(C)C)[C@H](C)C1 ZINC000249288230 442963383 /nfs/dbraw/zinc/96/33/83/442963383.db2.gz LZBPRAUUOZBZRD-ZACQAIPSSA-N 2 1 327.513 1.874 20 0 EDADMP C[C@H](C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249406478 442972496 /nfs/dbraw/zinc/97/24/96/442972496.db2.gz ULRGZARHIVXSRN-QKPAOTATSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@H](C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249406478 442972499 /nfs/dbraw/zinc/97/24/99/442972499.db2.gz ULRGZARHIVXSRN-QKPAOTATSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000249406478 442972503 /nfs/dbraw/zinc/97/25/03/442972503.db2.gz ULRGZARHIVXSRN-QKPAOTATSA-N 2 1 325.497 1.551 20 0 EDADMP C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000249406478 442972507 /nfs/dbraw/zinc/97/25/07/442972507.db2.gz ULRGZARHIVXSRN-QKPAOTATSA-N 2 1 325.497 1.551 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H](CCO)c1ccco1)c1ccccc1 ZINC000184692668 443060995 /nfs/dbraw/zinc/06/09/95/443060995.db2.gz UZYAUZDZFMBUCL-DLBZAZTESA-N 2 1 345.443 1.712 20 0 EDADMP C[C@H]1C[C@H](NCc2cccc(N3CCCS3(=O)=O)c2)C[N@@H+]1C1CC1 ZINC000185098850 443135421 /nfs/dbraw/zinc/13/54/21/443135421.db2.gz BOWUAAAYCQDTSJ-HOCLYGCPSA-N 2 1 349.500 1.941 20 0 EDADMP C[C@H]1C[C@H](NCc2cccc(N3CCCS3(=O)=O)c2)C[N@H+]1C1CC1 ZINC000185098850 443135425 /nfs/dbraw/zinc/13/54/25/443135425.db2.gz BOWUAAAYCQDTSJ-HOCLYGCPSA-N 2 1 349.500 1.941 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCSC[C@@H](C)C2)C1 ZINC000190463471 443113790 /nfs/dbraw/zinc/11/37/90/443113790.db2.gz PEPCUPATXCNTOU-JKSUJKDBSA-N 2 1 343.537 1.144 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000190463471 443113794 /nfs/dbraw/zinc/11/37/94/443113794.db2.gz PEPCUPATXCNTOU-JKSUJKDBSA-N 2 1 343.537 1.144 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000190463471 443113797 /nfs/dbraw/zinc/11/37/97/443113797.db2.gz PEPCUPATXCNTOU-JKSUJKDBSA-N 2 1 343.537 1.144 20 0 EDADMP C[NH2+]CCCC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000237234897 443165457 /nfs/dbraw/zinc/16/54/57/443165457.db2.gz ZADSISNERBWREM-QGZVFWFLSA-N 2 1 346.475 1.791 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000261985287 443178252 /nfs/dbraw/zinc/17/82/52/443178252.db2.gz JQSSMSDIFRAIRO-SFHVURJKSA-N 2 1 341.459 1.692 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000261985287 443178256 /nfs/dbraw/zinc/17/82/56/443178256.db2.gz JQSSMSDIFRAIRO-SFHVURJKSA-N 2 1 341.459 1.692 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000262271521 443188159 /nfs/dbraw/zinc/18/81/59/443188159.db2.gz ILLBUWXMPQBMTD-IKGGRYGDSA-N 2 1 325.497 1.757 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262395852 443192804 /nfs/dbraw/zinc/19/28/04/443192804.db2.gz YGMISXOGVGBNQR-MRXNPFEDSA-N 2 1 333.480 1.295 20 0 EDADMP C[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190839651 443193155 /nfs/dbraw/zinc/19/31/55/443193155.db2.gz OHLFWQVPOOVSKI-QGZVFWFLSA-N 2 1 334.464 1.138 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000236953378 443153315 /nfs/dbraw/zinc/15/33/15/443153315.db2.gz LQZNYNSJMWJEHW-VKJFTORMSA-N 2 1 333.476 1.897 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000236953378 443153319 /nfs/dbraw/zinc/15/33/19/443153319.db2.gz LQZNYNSJMWJEHW-VKJFTORMSA-N 2 1 333.476 1.897 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@H]1[NH3+] ZINC000269186652 443226684 /nfs/dbraw/zinc/22/66/84/443226684.db2.gz GCNMNGCYOIGNPZ-KBAYOESNSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@H]1[NH3+] ZINC000269186652 443226686 /nfs/dbraw/zinc/22/66/86/443226686.db2.gz GCNMNGCYOIGNPZ-KBAYOESNSA-N 2 1 331.460 1.473 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185663445 443234820 /nfs/dbraw/zinc/23/48/20/443234820.db2.gz XZZLGYACILAFAI-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)[C@@H](C)C1 ZINC000245564441 443237284 /nfs/dbraw/zinc/23/72/84/443237284.db2.gz OFOYDAIQWGGDFB-RDJZCZTQSA-N 2 1 345.553 1.757 20 0 EDADMP Cc1nn(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Br ZINC000382156841 319123554 /nfs/dbraw/zinc/12/35/54/319123554.db2.gz BOXQJODSEAWCPW-TXEJJXNPSA-N 2 1 327.270 1.922 20 0 EDADMP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000411376673 319181136 /nfs/dbraw/zinc/18/11/36/319181136.db2.gz BFBQPADRCTVQFG-IAGOWNOFSA-N 2 1 337.533 1.901 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCOC)[C@@H]2CCC[C@H]2C)CC1 ZINC000411628654 319191027 /nfs/dbraw/zinc/19/10/27/319191027.db2.gz WZEZBJOIEFXGOD-NVXWUHKLSA-N 2 1 325.497 1.724 20 0 EDADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)CC(=O)N(C)C ZINC000414271582 319323704 /nfs/dbraw/zinc/32/37/04/319323704.db2.gz QXMABTUPQJQQHQ-BHIYHBOVSA-N 2 1 347.503 1.980 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)CC(=O)N(C)C ZINC000414271582 319323705 /nfs/dbraw/zinc/32/37/05/319323705.db2.gz QXMABTUPQJQQHQ-BHIYHBOVSA-N 2 1 347.503 1.980 20 0 EDADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414269747 319323907 /nfs/dbraw/zinc/32/39/07/319323907.db2.gz OXXFNLOYXJSPCE-UHFFFAOYSA-N 2 1 333.885 1.807 20 0 EDADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414269747 319323910 /nfs/dbraw/zinc/32/39/10/319323910.db2.gz OXXFNLOYXJSPCE-UHFFFAOYSA-N 2 1 333.885 1.807 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC000414671881 319339327 /nfs/dbraw/zinc/33/93/27/319339327.db2.gz GWUBIFZDIQJVIY-RDJZCZTQSA-N 2 1 333.501 1.974 20 0 EDADMP C[N@@H+](CCOc1cccc(Cl)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414681046 319341424 /nfs/dbraw/zinc/34/14/24/319341424.db2.gz OCEOROJBGIAUSV-AWEZNQCLSA-N 2 1 339.867 1.848 20 0 EDADMP COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414693485 319343469 /nfs/dbraw/zinc/34/34/69/319343469.db2.gz RTHSJWAMENMQKB-AEFFLSMTSA-N 2 1 345.487 1.899 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000415953742 319384341 /nfs/dbraw/zinc/38/43/41/319384341.db2.gz GCBFACTUAYHKCS-UHFFFAOYSA-N 2 1 334.464 1.981 20 0 EDADMP CCN(C)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cn1 ZINC000191330816 443279565 /nfs/dbraw/zinc/27/95/65/443279565.db2.gz BBVSJIAWSROXLU-GOSISDBHSA-N 2 1 331.508 1.750 20 0 EDADMP C[C@@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CCC[NH2+]C1 ZINC000269341764 443287186 /nfs/dbraw/zinc/28/71/86/443287186.db2.gz ITGSDASVBGUTPQ-QFBILLFUSA-N 2 1 344.459 1.465 20 0 EDADMP C[C@@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CCC[NH2+]C1 ZINC000269341764 443287191 /nfs/dbraw/zinc/28/71/91/443287191.db2.gz ITGSDASVBGUTPQ-QFBILLFUSA-N 2 1 344.459 1.465 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000185834152 443266741 /nfs/dbraw/zinc/26/67/41/443266741.db2.gz KNXBQEWPGUDJOA-HZPDHXFCSA-N 2 1 340.512 1.205 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]Cc2cncc(Br)c2)CC1(C)C ZINC000282379858 443321965 /nfs/dbraw/zinc/32/19/65/443321965.db2.gz OIDSAKQIEBUOPX-UHFFFAOYSA-N 2 1 341.297 1.960 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000272619905 443385026 /nfs/dbraw/zinc/38/50/26/443385026.db2.gz UJHYZTAFUOMSAL-SJLPKXTDSA-N 2 1 348.466 1.993 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000272619905 443385027 /nfs/dbraw/zinc/38/50/27/443385027.db2.gz UJHYZTAFUOMSAL-SJLPKXTDSA-N 2 1 348.466 1.993 20 0 EDADMP C[NH+](CCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000272619905 443385032 /nfs/dbraw/zinc/38/50/32/443385032.db2.gz UJHYZTAFUOMSAL-SJLPKXTDSA-N 2 1 348.466 1.993 20 0 EDADMP C[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000419042422 319546233 /nfs/dbraw/zinc/54/62/33/319546233.db2.gz PEQJRLAYLFACGF-CHWSQXEVSA-N 2 1 343.431 1.082 20 0 EDADMP CC[C@H](C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000269559161 443348124 /nfs/dbraw/zinc/34/81/24/443348124.db2.gz QFBYFXPRIUUABV-RTBURBONSA-N 2 1 347.503 1.642 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)[NH+](C)C)cc1 ZINC000264732140 443396146 /nfs/dbraw/zinc/39/61/46/443396146.db2.gz NFXBZMWMTQFINI-QZTJIDSGSA-N 2 1 347.507 1.143 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000272650325 443396469 /nfs/dbraw/zinc/39/64/69/443396469.db2.gz FFZZGFPHRQZSBH-CZUORRHYSA-N 2 1 332.448 1.235 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1)C1CC1 ZINC000269711732 443406762 /nfs/dbraw/zinc/40/67/62/443406762.db2.gz VBLPJABRDYIDLC-GOSISDBHSA-N 2 1 331.460 1.006 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000269711732 443406763 /nfs/dbraw/zinc/40/67/63/443406763.db2.gz VBLPJABRDYIDLC-GOSISDBHSA-N 2 1 331.460 1.006 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000269711732 443406765 /nfs/dbraw/zinc/40/67/65/443406765.db2.gz VBLPJABRDYIDLC-GOSISDBHSA-N 2 1 331.460 1.006 20 0 EDADMP C[C@H](CNC(=O)NCC[N@@H+](C)C1CC1)[NH+]1CCc2ccccc2C1 ZINC000264919439 443476840 /nfs/dbraw/zinc/47/68/40/443476840.db2.gz YTQFKNDIAABHSU-OAHLLOKOSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+](C)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000264919439 443476843 /nfs/dbraw/zinc/47/68/43/443476843.db2.gz YTQFKNDIAABHSU-OAHLLOKOSA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+](C)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000264919439 443476846 /nfs/dbraw/zinc/47/68/46/443476846.db2.gz YTQFKNDIAABHSU-OAHLLOKOSA-N 2 1 330.476 1.827 20 0 EDADMP C[N@@H+](C[C@@H]1CNC(=O)O1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000269951597 443456018 /nfs/dbraw/zinc/45/60/18/443456018.db2.gz GOQMFQVNZPDMEW-ROUUACIJSA-N 2 1 347.459 1.472 20 0 EDADMP Nc1nc(-n2cccn2)cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[nH+]1 ZINC000271381845 443503290 /nfs/dbraw/zinc/50/32/90/443503290.db2.gz GCERDWQQKYUAPV-DZGCQCFKSA-N 2 1 339.447 1.698 20 0 EDADMP C[NH+]1CCC(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000273137065 443547590 /nfs/dbraw/zinc/54/75/90/443547590.db2.gz SSFBYKMTQQGDKK-SFHVURJKSA-N 2 1 331.460 1.211 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000273142044 443549749 /nfs/dbraw/zinc/54/97/49/443549749.db2.gz WXXJTEDJNPCQFW-ZIFCJYIRSA-N 2 1 345.487 1.734 20 0 EDADMP CO[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000267850192 443598000 /nfs/dbraw/zinc/59/80/00/443598000.db2.gz WLSQSWHBXYOXDJ-LPHOPBHVSA-N 2 1 345.487 1.876 20 0 EDADMP CCc1ccc(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000283326137 443602330 /nfs/dbraw/zinc/60/23/30/443602330.db2.gz ZYGOLARPOFLELP-UHFFFAOYSA-N 2 1 344.503 1.535 20 0 EDADMP COc1ccccc1OCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436070045 320019120 /nfs/dbraw/zinc/01/91/20/320019120.db2.gz ZUUBWLXIDVSBRU-HNNXBMFYSA-N 2 1 335.448 1.394 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000439355800 320046267 /nfs/dbraw/zinc/04/62/67/320046267.db2.gz JKGYTRWDYGDMIG-OAHLLOKOSA-N 2 1 346.475 1.282 20 0 EDADMP COc1ccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(C)c1OC ZINC000286193045 443665390 /nfs/dbraw/zinc/66/53/90/443665390.db2.gz RISGFFCQFPRRQL-OAHLLOKOSA-N 2 1 349.475 1.827 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000447983709 320152003 /nfs/dbraw/zinc/15/20/03/320152003.db2.gz SXMGUIXDFNKSKD-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP COC(=O)Cn1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nn1 ZINC000449038432 320175877 /nfs/dbraw/zinc/17/58/77/320175877.db2.gz UNOWRRXESYREOH-UHFFFAOYSA-N 2 1 349.479 1.539 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000449643533 320196038 /nfs/dbraw/zinc/19/60/38/320196038.db2.gz IGFLXQWXLFONRS-HHARLNAUSA-N 2 1 325.497 1.754 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1)CCC(F)(F)F ZINC000458715522 320339741 /nfs/dbraw/zinc/33/97/41/320339741.db2.gz QXLVPVDEFWBUPB-BETUJISGSA-N 2 1 338.418 1.995 20 0 EDADMP CC[NH+](CCNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)CCC(F)(F)F ZINC000458715522 320339742 /nfs/dbraw/zinc/33/97/42/320339742.db2.gz QXLVPVDEFWBUPB-BETUJISGSA-N 2 1 338.418 1.995 20 0 EDADMP CC[NH+](CCNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)CCC(F)(F)F ZINC000458715522 320339743 /nfs/dbraw/zinc/33/97/43/320339743.db2.gz QXLVPVDEFWBUPB-BETUJISGSA-N 2 1 338.418 1.995 20 0 EDADMP O=C(NCCCCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458841966 320342835 /nfs/dbraw/zinc/34/28/35/320342835.db2.gz GINIFIDONUWJOI-KRWDZBQOSA-N 2 1 340.512 1.399 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000479284702 320354945 /nfs/dbraw/zinc/35/49/45/320354945.db2.gz SXQWAJCGMQKURZ-TWMKSMIVSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000479284702 320354946 /nfs/dbraw/zinc/35/49/46/320354946.db2.gz SXQWAJCGMQKURZ-TWMKSMIVSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000479284702 320354947 /nfs/dbraw/zinc/35/49/47/320354947.db2.gz SXQWAJCGMQKURZ-TWMKSMIVSA-N 2 1 340.512 1.346 20 0 EDADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(=O)[nH]n1 ZINC000286292986 443684187 /nfs/dbraw/zinc/68/41/87/443684187.db2.gz WIHQGYQGLPIFKO-QILLFSRXSA-N 2 1 342.443 1.304 20 0 EDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000494948937 320397515 /nfs/dbraw/zinc/39/75/15/320397515.db2.gz CQMKPEWDHIGCRX-ZNMIVQPWSA-N 2 1 329.485 1.582 20 0 EDADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cn3cccnc3n2)cc1 ZINC000298240846 443727999 /nfs/dbraw/zinc/72/79/99/443727999.db2.gz CFUQWOYFPJNBGX-UHFFFAOYSA-N 2 1 325.416 1.960 20 0 EDADMP C[C@H](CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000283857751 443744664 /nfs/dbraw/zinc/74/46/64/443744664.db2.gz GBZZGJVVPOCKLX-PBHICJAKSA-N 2 1 346.475 1.004 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](OCc3ccncc3)C2)CC1 ZINC000280976212 443787245 /nfs/dbraw/zinc/78/72/45/443787245.db2.gz KVGWPQAIRABCMR-SJLPKXTDSA-N 2 1 346.475 1.225 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)N2CC[C@@H](OCc3ccncc3)C2)CC1 ZINC000280976212 443787251 /nfs/dbraw/zinc/78/72/51/443787251.db2.gz KVGWPQAIRABCMR-SJLPKXTDSA-N 2 1 346.475 1.225 20 0 EDADMP NC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241966 320617284 /nfs/dbraw/zinc/61/72/84/320617284.db2.gz SAQGJHCFTYNACI-DLBZAZTESA-N 2 1 335.423 1.443 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000281234830 443855075 /nfs/dbraw/zinc/85/50/75/443855075.db2.gz FPHRHWAWPOBTFB-SFHVURJKSA-N 2 1 349.475 1.802 20 0 EDADMP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000281234830 443855079 /nfs/dbraw/zinc/85/50/79/443855079.db2.gz FPHRHWAWPOBTFB-SFHVURJKSA-N 2 1 349.475 1.802 20 0 EDADMP C[C@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000292913909 443877640 /nfs/dbraw/zinc/87/76/40/443877640.db2.gz FOPHEHJXNPAOPA-QKYXUNIQSA-N 2 1 329.488 1.620 20 0 EDADMP C[C@H]1C[C@@H](NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000292913909 443877641 /nfs/dbraw/zinc/87/76/41/443877641.db2.gz FOPHEHJXNPAOPA-QKYXUNIQSA-N 2 1 329.488 1.620 20 0 EDADMP C[C@H]1C[C@@H](NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000292913909 443877643 /nfs/dbraw/zinc/87/76/43/443877643.db2.gz FOPHEHJXNPAOPA-QKYXUNIQSA-N 2 1 329.488 1.620 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000293013024 443902428 /nfs/dbraw/zinc/90/24/28/443902428.db2.gz HPXWJDZHKUEVQY-RBUKOAKNSA-N 2 1 335.467 1.441 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277164188 443924290 /nfs/dbraw/zinc/92/42/90/443924290.db2.gz KICGCUVDYSGJCY-ROUUACIJSA-N 2 1 336.476 1.989 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000293261754 443965970 /nfs/dbraw/zinc/96/59/70/443965970.db2.gz XODVYISEJFGVKU-UXHICEINSA-N 2 1 349.494 1.831 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000293261754 443965973 /nfs/dbraw/zinc/96/59/73/443965973.db2.gz XODVYISEJFGVKU-UXHICEINSA-N 2 1 349.494 1.831 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000288970751 444024748 /nfs/dbraw/zinc/02/47/48/444024748.db2.gz XDZCYWYDVSVTSJ-AEFFLSMTSA-N 2 1 347.507 1.052 20 0 EDADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000288970751 444024752 /nfs/dbraw/zinc/02/47/52/444024752.db2.gz XDZCYWYDVSVTSJ-AEFFLSMTSA-N 2 1 347.507 1.052 20 0 EDADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000288970751 444024756 /nfs/dbraw/zinc/02/47/56/444024756.db2.gz XDZCYWYDVSVTSJ-AEFFLSMTSA-N 2 1 347.507 1.052 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+]C(C)(C)c2ccccc2)C1 ZINC000299564951 444080502 /nfs/dbraw/zinc/08/05/02/444080502.db2.gz AOLWBOZCEYXHKS-GOSISDBHSA-N 2 1 347.503 1.984 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000561186272 321035493 /nfs/dbraw/zinc/03/54/93/321035493.db2.gz QGDUHFSKGAJYDM-NXHRZFHOSA-N 2 1 346.475 1.266 20 0 EDADMP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000562293964 321050122 /nfs/dbraw/zinc/05/01/22/321050122.db2.gz PSIQMNKFYIXPBY-QZTJIDSGSA-N 2 1 330.476 1.846 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000563212925 321100845 /nfs/dbraw/zinc/10/08/45/321100845.db2.gz GQWWOTSVDXJYHU-IBGZPJMESA-N 2 1 344.503 1.799 20 0 EDADMP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000563395805 321108356 /nfs/dbraw/zinc/10/83/56/321108356.db2.gz CEOCXWQCIITPHH-DNVCBOLYSA-N 2 1 335.492 1.214 20 0 EDADMP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000564431522 321131394 /nfs/dbraw/zinc/13/13/94/321131394.db2.gz IWURFIPARWCBEZ-IRXDYDNUSA-N 2 1 346.475 1.052 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000564622160 321138176 /nfs/dbraw/zinc/13/81/76/321138176.db2.gz CHTOGMVKKXYNJF-KGLIPLIRSA-N 2 1 345.447 1.064 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000565765753 321199832 /nfs/dbraw/zinc/19/98/32/321199832.db2.gz JCXYRXAXVHAHMJ-UHFFFAOYSA-N 2 1 340.512 1.376 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000567473434 321242941 /nfs/dbraw/zinc/24/29/41/321242941.db2.gz JXEUQQLMQDHCHE-INIZCTEOSA-N 2 1 341.883 1.979 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000568411875 321291236 /nfs/dbraw/zinc/29/12/36/321291236.db2.gz FEDSYHXMQPPBDF-FQEVSTJZSA-N 2 1 343.471 1.008 20 0 EDADMP CC1(C)CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000568491425 321293720 /nfs/dbraw/zinc/29/37/20/321293720.db2.gz QVNZVYSJGQGYKO-KRWDZBQOSA-N 2 1 346.475 1.281 20 0 EDADMP Cc1c(C[NH+](C)CCOCC[N@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000568954376 321312353 /nfs/dbraw/zinc/31/23/53/321312353.db2.gz MECRIRVEJQAVDT-UHFFFAOYSA-N 2 1 348.495 1.351 20 0 EDADMP CC(C)[NH2+]CCC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000568996884 321313856 /nfs/dbraw/zinc/31/38/56/321313856.db2.gz FXFAAXHOLDSMIC-UHFFFAOYSA-N 2 1 333.480 1.098 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000570942592 321365527 /nfs/dbraw/zinc/36/55/27/321365527.db2.gz KYPOCAOYINSBEF-RBUKOAKNSA-N 2 1 344.503 1.944 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000295204825 444170672 /nfs/dbraw/zinc/17/06/72/444170672.db2.gz PKJXJFCWCGMYEP-SJORKVTESA-N 2 1 332.492 1.701 20 0 EDADMP COc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc2c1OCO2 ZINC000289470447 444152107 /nfs/dbraw/zinc/15/21/07/444152107.db2.gz PKNLTIQUAWWZFF-UHFFFAOYSA-N 2 1 335.448 1.493 20 0 EDADMP C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289475057 444154056 /nfs/dbraw/zinc/15/40/56/444154056.db2.gz RIQREYLWXLQHPT-HNNXBMFYSA-N 2 1 338.471 1.968 20 0 EDADMP C[C@@H](C(=O)c1c[nH]c2ncccc12)N(C)CCC[N@@H+](C)CCN(C)C ZINC000289541499 444167955 /nfs/dbraw/zinc/16/79/55/444167955.db2.gz WTBCMBOLSLQYKL-HNNXBMFYSA-N 2 1 345.491 1.949 20 0 EDADMP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc(OC)c1O ZINC000289911297 444218636 /nfs/dbraw/zinc/21/86/36/444218636.db2.gz XYRBDXLBAUOJBV-AWEZNQCLSA-N 2 1 338.448 2.000 20 0 EDADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc(OC)c1O ZINC000289911297 444218639 /nfs/dbraw/zinc/21/86/39/444218639.db2.gz XYRBDXLBAUOJBV-AWEZNQCLSA-N 2 1 338.448 2.000 20 0 EDADMP CN(CCC[N@@H+](C)Cc1cc(=O)n2ccsc2n1)CC[NH+](C)C ZINC000289595256 444178605 /nfs/dbraw/zinc/17/86/05/444178605.db2.gz ZXKONYLLYMRPRJ-UHFFFAOYSA-N 2 1 337.493 1.071 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000290129779 444246466 /nfs/dbraw/zinc/24/64/66/444246466.db2.gz JXPUTALTGGJXQW-WBVHZDCISA-N 2 1 339.505 1.521 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000290129779 444246468 /nfs/dbraw/zinc/24/64/68/444246468.db2.gz JXPUTALTGGJXQW-WBVHZDCISA-N 2 1 339.505 1.521 20 0 EDADMP O=C1NCCN1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000290242385 444258502 /nfs/dbraw/zinc/25/85/02/444258502.db2.gz JIPUAUBRXFDNFF-RTBURBONSA-N 2 1 342.487 1.998 20 0 EDADMP O=C1NCCN1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000290242385 444258505 /nfs/dbraw/zinc/25/85/05/444258505.db2.gz JIPUAUBRXFDNFF-RTBURBONSA-N 2 1 342.487 1.998 20 0 EDADMP O=C1NCCN1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000290242385 444258506 /nfs/dbraw/zinc/25/85/06/444258506.db2.gz JIPUAUBRXFDNFF-RTBURBONSA-N 2 1 342.487 1.998 20 0 EDADMP O=C1NCCN1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000290242385 444258509 /nfs/dbraw/zinc/25/85/09/444258509.db2.gz JIPUAUBRXFDNFF-RTBURBONSA-N 2 1 342.487 1.998 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000305192553 444264145 /nfs/dbraw/zinc/26/41/45/444264145.db2.gz KHTKQTZCBAZKSD-RBUKOAKNSA-N 2 1 345.487 1.396 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000305192553 444264146 /nfs/dbraw/zinc/26/41/46/444264146.db2.gz KHTKQTZCBAZKSD-RBUKOAKNSA-N 2 1 345.487 1.396 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000305192553 444264148 /nfs/dbraw/zinc/26/41/48/444264148.db2.gz KHTKQTZCBAZKSD-RBUKOAKNSA-N 2 1 345.487 1.396 20 0 EDADMP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000303984226 444238949 /nfs/dbraw/zinc/23/89/49/444238949.db2.gz HPGGTJUKOBKUDA-IRXDYDNUSA-N 2 1 340.512 1.110 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)CN(C)C1CC1 ZINC000290082181 444239728 /nfs/dbraw/zinc/23/97/28/444239728.db2.gz VCWVFIBLTKUULT-GOSISDBHSA-N 2 1 333.476 1.665 20 0 EDADMP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)CN(C)C1CC1 ZINC000290082181 444239730 /nfs/dbraw/zinc/23/97/30/444239730.db2.gz VCWVFIBLTKUULT-GOSISDBHSA-N 2 1 333.476 1.665 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC000297654462 444314579 /nfs/dbraw/zinc/31/45/79/444314579.db2.gz VVNDINCTRIYARX-NVXWUHKLSA-N 2 1 327.432 1.960 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccncc1OCCC[NH+](C)C)C1CC1 ZINC000290739576 444317247 /nfs/dbraw/zinc/31/72/47/444317247.db2.gz XFPDDDXJHUKTSP-UHFFFAOYSA-N 2 1 334.464 1.513 20 0 EDADMP C[N@@H+]1CCN(CCN[C@H](c2nnc[nH]2)c2ccccc2)CC1(C)C ZINC000290517586 444290462 /nfs/dbraw/zinc/29/04/62/444290462.db2.gz YSVISXRZKACFBV-INIZCTEOSA-N 2 1 328.464 1.510 20 0 EDADMP C[N@H+]1CCN(CCN[C@H](c2nnc[nH]2)c2ccccc2)CC1(C)C ZINC000290517586 444290463 /nfs/dbraw/zinc/29/04/63/444290463.db2.gz YSVISXRZKACFBV-INIZCTEOSA-N 2 1 328.464 1.510 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(c3cc(N4CCC[C@@H]4CO)ncn3)C2)C1 ZINC000328699489 444433986 /nfs/dbraw/zinc/43/39/86/444433986.db2.gz MGWCEOGQCXMWHF-CRAIPNDOSA-N 2 1 331.464 1.360 20 0 EDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000338010689 444485948 /nfs/dbraw/zinc/48/59/48/444485948.db2.gz HRVFDRRZTZEYRM-RYRKJORJSA-N 2 1 331.460 1.596 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000338010689 444485952 /nfs/dbraw/zinc/48/59/52/444485952.db2.gz HRVFDRRZTZEYRM-RYRKJORJSA-N 2 1 331.460 1.596 20 0 EDADMP Cc1nnc(CN2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000580884378 322107574 /nfs/dbraw/zinc/10/75/74/322107574.db2.gz CFJMMPACJUOJDS-ZIAGYGMSSA-N 2 1 338.452 1.468 20 0 EDADMP O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000581058326 322129848 /nfs/dbraw/zinc/12/98/48/322129848.db2.gz SGFAWRGFHLBMHT-RTBURBONSA-N 2 1 343.471 1.537 20 0 EDADMP O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000581058326 322129850 /nfs/dbraw/zinc/12/98/50/322129850.db2.gz SGFAWRGFHLBMHT-RTBURBONSA-N 2 1 343.471 1.537 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000581478579 322181934 /nfs/dbraw/zinc/18/19/34/322181934.db2.gz CMKFWOBLYXGJFH-GOSISDBHSA-N 2 1 346.475 1.282 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000332534015 444518458 /nfs/dbraw/zinc/51/84/58/444518458.db2.gz IHDNFOKUBZBMQZ-KBPBESRZSA-N 2 1 346.479 1.454 20 0 EDADMP CC[NH+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000342130929 444525195 /nfs/dbraw/zinc/52/51/95/444525195.db2.gz COHZGLSEFWZDMH-UHFFFAOYSA-N 2 1 344.503 1.753 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CCNCC1(F)F ZINC000343791560 444594402 /nfs/dbraw/zinc/59/44/02/444594402.db2.gz DMQROMKBHFWSMW-ZDUSSCGKSA-N 2 1 333.423 1.048 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)[NH+](C)C ZINC000338285598 444611872 /nfs/dbraw/zinc/61/18/72/444611872.db2.gz UCRGDDRNBZLWND-GOEBONIOSA-N 2 1 336.480 1.937 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000332982864 444620493 /nfs/dbraw/zinc/62/04/93/444620493.db2.gz YHXQGFZCAYNGOK-GJZGRUSLSA-N 2 1 338.496 1.146 20 0 EDADMP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343896184 444651965 /nfs/dbraw/zinc/65/19/65/444651965.db2.gz WSUUHJYKTIMKDD-DZGCQCFKSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343896184 444651967 /nfs/dbraw/zinc/65/19/67/444651967.db2.gz WSUUHJYKTIMKDD-DZGCQCFKSA-N 2 1 325.403 1.868 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C(C)C)N2CCOCC2)C1 ZINC000338329608 444637362 /nfs/dbraw/zinc/63/73/62/444637362.db2.gz ZFCRXMGNSIIXDQ-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000338329608 444637364 /nfs/dbraw/zinc/63/73/64/444637364.db2.gz ZFCRXMGNSIIXDQ-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000338329608 444637366 /nfs/dbraw/zinc/63/73/66/444637366.db2.gz ZFCRXMGNSIIXDQ-SJORKVTESA-N 2 1 340.512 1.374 20 0 EDADMP Nc1nc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)nc2ccccc12 ZINC000333832519 444701540 /nfs/dbraw/zinc/70/15/40/444701540.db2.gz JRGJYLWGFYUBDI-CRAIPNDOSA-N 2 1 341.459 1.930 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)[nH+]1 ZINC000342469193 444704344 /nfs/dbraw/zinc/70/43/44/444704344.db2.gz DVDWDLYQEGXHSH-KURKYZTESA-N 2 1 330.476 1.987 20 0 EDADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)[nH+]1 ZINC000342469193 444704347 /nfs/dbraw/zinc/70/43/47/444704347.db2.gz DVDWDLYQEGXHSH-KURKYZTESA-N 2 1 330.476 1.987 20 0 EDADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343985000 444709533 /nfs/dbraw/zinc/70/95/33/444709533.db2.gz MGLSFNPBWAEWNZ-HNNXBMFYSA-N 2 1 325.403 1.822 20 0 EDADMP COC(=O)CCC[NH+]1CCC(NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000342491442 444714239 /nfs/dbraw/zinc/71/42/39/444714239.db2.gz PIECPKWBBJZFLB-MRXNPFEDSA-N 2 1 325.497 1.726 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000333945125 444724958 /nfs/dbraw/zinc/72/49/58/444724958.db2.gz SMYCPYDUWREKCU-RDJZCZTQSA-N 2 1 344.459 1.206 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C[C@H]1[NH3+] ZINC000333945706 444725784 /nfs/dbraw/zinc/72/57/84/444725784.db2.gz TXBMQNUVYHNFIT-IJEWVQPXSA-N 2 1 336.505 1.949 20 0 EDADMP O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000333630989 444686651 /nfs/dbraw/zinc/68/66/51/444686651.db2.gz SQZLXZMPQPGEKU-BOMAWHNGSA-N 2 1 334.508 1.099 20 0 EDADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000333635596 444687075 /nfs/dbraw/zinc/68/70/75/444687075.db2.gz HGRJCGRMCKGTQK-IIAWOOMASA-N 2 1 334.468 1.163 20 0 EDADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000333635596 444687077 /nfs/dbraw/zinc/68/70/77/444687077.db2.gz HGRJCGRMCKGTQK-IIAWOOMASA-N 2 1 334.468 1.163 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000342452996 444697968 /nfs/dbraw/zinc/69/79/68/444697968.db2.gz XZIHATGAIREUKE-HDICACEKSA-N 2 1 339.524 1.530 20 0 EDADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000341257909 444751781 /nfs/dbraw/zinc/75/17/81/444751781.db2.gz KLSSCONRJZXNAL-WBVHZDCISA-N 2 1 330.476 1.883 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338634875 444784848 /nfs/dbraw/zinc/78/48/48/444784848.db2.gz APPDTLWWOVTJOW-AWEZNQCLSA-N 2 1 336.505 1.908 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338634875 444784851 /nfs/dbraw/zinc/78/48/51/444784851.db2.gz APPDTLWWOVTJOW-AWEZNQCLSA-N 2 1 336.505 1.908 20 0 EDADMP C[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000342657417 444799931 /nfs/dbraw/zinc/79/99/31/444799931.db2.gz LPIAYUYOBAPBMP-OAGGEKHMSA-N 2 1 326.485 1.221 20 0 EDADMP COCc1nc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cs1 ZINC000336858104 444806806 /nfs/dbraw/zinc/80/68/06/444806806.db2.gz XBEBTNVRJFMBPA-ZDUSSCGKSA-N 2 1 327.494 1.814 20 0 EDADMP COCc1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cs1 ZINC000336858104 444806807 /nfs/dbraw/zinc/80/68/07/444806807.db2.gz XBEBTNVRJFMBPA-ZDUSSCGKSA-N 2 1 327.494 1.814 20 0 EDADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C[NH+](C)C ZINC000336868783 444812363 /nfs/dbraw/zinc/81/23/63/444812363.db2.gz ZEZQQDWRNYNGCV-KBPBESRZSA-N 2 1 327.494 1.785 20 0 EDADMP CCC[N@@H+](CCCN1CCOCC1)CCN1CC[NH+](CC)CC1 ZINC000344161441 444814708 /nfs/dbraw/zinc/81/47/08/444814708.db2.gz YFWPYTIXVDBXOG-UHFFFAOYSA-N 2 1 326.529 1.058 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)CCC[N@H+]1C ZINC000341444272 444835981 /nfs/dbraw/zinc/83/59/81/444835981.db2.gz ZBSCLZOOJZJOQS-HOCLYGCPSA-N 2 1 349.479 1.304 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000342732655 444839310 /nfs/dbraw/zinc/83/93/10/444839310.db2.gz KRCNMCBNXATPBM-HIFRSBDPSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000342732655 444839312 /nfs/dbraw/zinc/83/93/12/444839312.db2.gz KRCNMCBNXATPBM-HIFRSBDPSA-N 2 1 325.403 1.868 20 0 EDADMP Cc1cnc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)nc1N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000338785639 444850873 /nfs/dbraw/zinc/85/08/73/444850873.db2.gz MQWUFZHZAOXQFR-LUKYLMHMSA-N 2 1 346.523 1.843 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000344235886 444854967 /nfs/dbraw/zinc/85/49/67/444854967.db2.gz MOYBKEGDBQVZGS-GJYPPUQNSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000344235886 444854970 /nfs/dbraw/zinc/85/49/70/444854970.db2.gz MOYBKEGDBQVZGS-GJYPPUQNSA-N 2 1 345.487 1.600 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000344235886 444854973 /nfs/dbraw/zinc/85/49/73/444854973.db2.gz MOYBKEGDBQVZGS-GJYPPUQNSA-N 2 1 345.487 1.600 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)C1 ZINC000344237788 444855776 /nfs/dbraw/zinc/85/57/76/444855776.db2.gz OPPBATQKGIRHQL-ARFHVFGLSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000344237788 444855781 /nfs/dbraw/zinc/85/57/81/444855781.db2.gz OPPBATQKGIRHQL-ARFHVFGLSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000344237788 444855784 /nfs/dbraw/zinc/85/57/84/444855784.db2.gz OPPBATQKGIRHQL-ARFHVFGLSA-N 2 1 326.485 1.125 20 0 EDADMP COC(=O)CCC[NH+]1CCC(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000342772611 444860036 /nfs/dbraw/zinc/86/00/36/444860036.db2.gz AEKNZSYPFVKRCB-RDJZCZTQSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000342886712 444918641 /nfs/dbraw/zinc/91/86/41/444918641.db2.gz XVIULSKBOVHNOW-DLBZAZTESA-N 2 1 337.508 1.583 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337082351 444934332 /nfs/dbraw/zinc/93/43/32/444934332.db2.gz XGLIIKNPSWLFPO-WDYCEAGBSA-N 2 1 339.439 1.896 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)CCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000339028824 444996503 /nfs/dbraw/zinc/99/65/03/444996503.db2.gz FVDFKWQNHBWNKI-IBGZPJMESA-N 2 1 347.503 1.778 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000344473721 444998013 /nfs/dbraw/zinc/99/80/13/444998013.db2.gz GQOJBIMDTINQGX-SJORKVTESA-N 2 1 340.512 1.110 20 0 EDADMP C[NH+]1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000337420826 445072823 /nfs/dbraw/zinc/07/28/23/445072823.db2.gz FOSUXPCYHQZWKL-UHFFFAOYSA-N 2 1 345.491 1.156 20 0 EDADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000337449560 445086237 /nfs/dbraw/zinc/08/62/37/445086237.db2.gz JYKJJBHMZNOORU-HOCLYGCPSA-N 2 1 327.856 1.372 20 0 EDADMP C[C@H](Cn1ccnc1)NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337524187 445119550 /nfs/dbraw/zinc/11/95/50/445119550.db2.gz ALACBHRMIDJISG-KFWWJZLASA-N 2 1 337.468 1.459 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NC[C@H]3COc4ccccc4O3)C[C@@H]21 ZINC000342102449 445173286 /nfs/dbraw/zinc/17/32/86/445173286.db2.gz MDAMCTBARXAQMH-FXUDXRNXSA-N 2 1 345.443 1.002 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NC[C@H]3COc4ccccc4O3)C[C@@H]21 ZINC000342102449 445173288 /nfs/dbraw/zinc/17/32/88/445173288.db2.gz MDAMCTBARXAQMH-FXUDXRNXSA-N 2 1 345.443 1.002 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000337655946 445189810 /nfs/dbraw/zinc/18/98/10/445189810.db2.gz NDVLNYOYCICHNE-NVXWUHKLSA-N 2 1 342.553 1.843 20 0 EDADMP CC(=O)[C@@](C)(O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330807022 445148859 /nfs/dbraw/zinc/14/88/59/445148859.db2.gz CMLJDNBQCPTTEK-DAYGRLMNSA-N 2 1 326.481 1.538 20 0 EDADMP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC000339549151 445149496 /nfs/dbraw/zinc/14/94/96/445149496.db2.gz WHHGXRMJNOIISV-SQNIBIBYSA-N 2 1 334.508 1.987 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000345020869 445157011 /nfs/dbraw/zinc/15/70/11/445157011.db2.gz OICBGXQNDIPLRJ-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[N@@H+](C)C1 ZINC000345667434 445195609 /nfs/dbraw/zinc/19/56/09/445195609.db2.gz OUNRPKFJAMWUMF-KURKYZTESA-N 2 1 348.491 1.650 20 0 EDADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@@H](C)[NH+]1C ZINC000343463098 445227364 /nfs/dbraw/zinc/22/73/64/445227364.db2.gz LABQRXKZNWJJKH-HUUCEWRRSA-N 2 1 346.475 1.280 20 0 EDADMP CCC[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)[NH+](C)C ZINC000347879269 445252636 /nfs/dbraw/zinc/25/26/36/445252636.db2.gz UGQCJWUATDASQF-NXHRZFHOSA-N 2 1 349.523 1.992 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000348187666 445310631 /nfs/dbraw/zinc/31/06/31/445310631.db2.gz IMAPGPIHKXLSTP-INIZCTEOSA-N 2 1 332.510 1.244 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000348211333 445317381 /nfs/dbraw/zinc/31/73/81/445317381.db2.gz RZOUECYXLQVLEF-SJORKVTESA-N 2 1 338.496 1.080 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000348211333 445317383 /nfs/dbraw/zinc/31/73/83/445317383.db2.gz RZOUECYXLQVLEF-SJORKVTESA-N 2 1 338.496 1.080 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000348211333 445317385 /nfs/dbraw/zinc/31/73/85/445317385.db2.gz RZOUECYXLQVLEF-SJORKVTESA-N 2 1 338.496 1.080 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC000351820141 445332985 /nfs/dbraw/zinc/33/29/85/445332985.db2.gz COTUSXGPUHUADG-MJGOQNOKSA-N 2 1 345.487 1.342 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC000351820141 445332986 /nfs/dbraw/zinc/33/29/86/445332986.db2.gz COTUSXGPUHUADG-MJGOQNOKSA-N 2 1 345.487 1.342 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC000351820141 445332989 /nfs/dbraw/zinc/33/29/89/445332989.db2.gz COTUSXGPUHUADG-MJGOQNOKSA-N 2 1 345.487 1.342 20 0 EDADMP C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000359685063 445373940 /nfs/dbraw/zinc/37/39/40/445373940.db2.gz LEGXGNRFJIGHPU-HNAYVOBHSA-N 2 1 347.528 1.987 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000348557918 445325739 /nfs/dbraw/zinc/32/57/39/445325739.db2.gz RKSCWEWDWRRQIG-DNVCBOLYSA-N 2 1 341.459 1.871 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)NC(=O)NC)CC1)CC1CC1 ZINC000357091152 445421658 /nfs/dbraw/zinc/42/16/58/445421658.db2.gz WJWRGGPQSHVHPM-UHFFFAOYSA-N 2 1 338.496 1.666 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000362451534 445389206 /nfs/dbraw/zinc/38/92/06/445389206.db2.gz WEDAVSOTVIBFSB-SJORKVTESA-N 2 1 343.475 1.848 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000362451534 445389209 /nfs/dbraw/zinc/38/92/09/445389209.db2.gz WEDAVSOTVIBFSB-SJORKVTESA-N 2 1 343.475 1.848 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1)[NH+](C)C ZINC000362656844 445481060 /nfs/dbraw/zinc/48/10/60/445481060.db2.gz FDDFNPTXTACSID-XIRDDKMYSA-N 2 1 348.491 1.889 20 0 EDADMP Cc1ccncc1C[NH2+]C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354935193 445435513 /nfs/dbraw/zinc/43/55/13/445435513.db2.gz OYAAILDOJCUSHW-JKSUJKDBSA-N 2 1 344.438 1.953 20 0 EDADMP C[NH+](C)CC1CCN(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)CC1 ZINC000362719700 445517034 /nfs/dbraw/zinc/51/70/34/445517034.db2.gz NLJHGUHXEJPFHL-IRXDYDNUSA-N 2 1 338.496 1.223 20 0 EDADMP C[NH+](C)CC1CCN(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)CC1 ZINC000362719700 445517039 /nfs/dbraw/zinc/51/70/39/445517039.db2.gz NLJHGUHXEJPFHL-IRXDYDNUSA-N 2 1 338.496 1.223 20 0 EDADMP COC(=O)[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1c1ccccc1 ZINC000352103543 445494008 /nfs/dbraw/zinc/49/40/08/445494008.db2.gz PLUQYOQCVWSHDE-KZNAEPCWSA-N 2 1 332.444 1.330 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1c1ccccc1 ZINC000352103543 445494011 /nfs/dbraw/zinc/49/40/11/445494011.db2.gz PLUQYOQCVWSHDE-KZNAEPCWSA-N 2 1 332.444 1.330 20 0 EDADMP COC(=O)[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@@H]1c1ccccc1 ZINC000352103543 445494013 /nfs/dbraw/zinc/49/40/13/445494013.db2.gz PLUQYOQCVWSHDE-KZNAEPCWSA-N 2 1 332.444 1.330 20 0 EDADMP COC(=O)[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]1c1ccccc1 ZINC000352103543 445494018 /nfs/dbraw/zinc/49/40/18/445494018.db2.gz PLUQYOQCVWSHDE-KZNAEPCWSA-N 2 1 332.444 1.330 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)NCC[NH+]2CCCC2)c2ccccc2)CC1 ZINC000349077488 445495909 /nfs/dbraw/zinc/49/59/09/445495909.db2.gz FGISCGKZRXCZOO-SFHVURJKSA-N 2 1 330.476 1.187 20 0 EDADMP CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C1 ZINC000359957725 445503824 /nfs/dbraw/zinc/50/38/24/445503824.db2.gz IGIAWBUNEMRYLA-OAHLLOKOSA-N 2 1 333.480 1.325 20 0 EDADMP CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C1 ZINC000359957725 445503829 /nfs/dbraw/zinc/50/38/29/445503829.db2.gz IGIAWBUNEMRYLA-OAHLLOKOSA-N 2 1 333.480 1.325 20 0 EDADMP CC[NH+]1CCC[C@@H](NC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C1 ZINC000359957725 445503833 /nfs/dbraw/zinc/50/38/33/445503833.db2.gz IGIAWBUNEMRYLA-OAHLLOKOSA-N 2 1 333.480 1.325 20 0 EDADMP CC[NH+]1CCC[C@@H](NC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C1 ZINC000359957725 445503836 /nfs/dbraw/zinc/50/38/36/445503836.db2.gz IGIAWBUNEMRYLA-OAHLLOKOSA-N 2 1 333.480 1.325 20 0 EDADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000352122138 445506087 /nfs/dbraw/zinc/50/60/87/445506087.db2.gz SXNNCBUTTLNILM-MJGOQNOKSA-N 2 1 333.476 1.470 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000360138172 445590536 /nfs/dbraw/zinc/59/05/36/445590536.db2.gz ZRNXKISWUYMMGD-INIZCTEOSA-N 2 1 340.512 1.469 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000362871270 445590484 /nfs/dbraw/zinc/59/04/84/445590484.db2.gz MCLYEBHCTZNRSE-RYQLBKOJSA-N 2 1 335.492 1.620 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000360125545 445581753 /nfs/dbraw/zinc/58/17/53/445581753.db2.gz PLGFSESUXMTRTC-HOTGVXAUSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000360125545 445581758 /nfs/dbraw/zinc/58/17/58/445581758.db2.gz PLGFSESUXMTRTC-HOTGVXAUSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000360125545 445581761 /nfs/dbraw/zinc/58/17/61/445581761.db2.gz PLGFSESUXMTRTC-HOTGVXAUSA-N 2 1 340.512 1.610 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000360135243 445587713 /nfs/dbraw/zinc/58/77/13/445587713.db2.gz IWWDVZBPYBPTAL-BBWFWOEESA-N 2 1 340.512 1.467 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000360135243 445587716 /nfs/dbraw/zinc/58/77/16/445587716.db2.gz IWWDVZBPYBPTAL-BBWFWOEESA-N 2 1 340.512 1.467 20 0 EDADMP C[C@H]1[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCC12CCOCC2 ZINC000349234943 445541810 /nfs/dbraw/zinc/54/18/10/445541810.db2.gz FHHGBEFRBQNPGE-OAHLLOKOSA-N 2 1 335.492 1.620 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000360164627 445605831 /nfs/dbraw/zinc/60/58/31/445605831.db2.gz SKWWNJMPIVYFHD-OAHLLOKOSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000360164627 445605835 /nfs/dbraw/zinc/60/58/35/445605835.db2.gz SKWWNJMPIVYFHD-OAHLLOKOSA-N 2 1 340.512 1.071 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000360164627 445605841 /nfs/dbraw/zinc/60/58/41/445605841.db2.gz SKWWNJMPIVYFHD-OAHLLOKOSA-N 2 1 340.512 1.071 20 0 EDADMP CC[N@H+](CCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C)C(C)C ZINC000356108393 445625346 /nfs/dbraw/zinc/62/53/46/445625346.db2.gz IBUXWGAPAZSTJF-UHFFFAOYSA-N 2 1 332.452 1.683 20 0 EDADMP CC[N@@H+](CCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C)C(C)C ZINC000356108393 445625348 /nfs/dbraw/zinc/62/53/48/445625348.db2.gz IBUXWGAPAZSTJF-UHFFFAOYSA-N 2 1 332.452 1.683 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H](O)CN2CCC([NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000358514241 445626778 /nfs/dbraw/zinc/62/67/78/445626778.db2.gz MPRGAZOIOLNLCF-SCTDSRPQSA-N 2 1 339.524 1.407 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000353414785 445593872 /nfs/dbraw/zinc/59/38/72/445593872.db2.gz LGWKUWKLNGQZFY-DLBZAZTESA-N 2 1 325.497 1.460 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)C[NH+]1CCCC1 ZINC000357968145 445596700 /nfs/dbraw/zinc/59/67/00/445596700.db2.gz CIBALMSDXBHVHT-BRWVUGGUSA-N 2 1 338.496 1.223 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000356207620 445676164 /nfs/dbraw/zinc/67/61/64/445676164.db2.gz QYIOCPCCDVHVRK-OAHLLOKOSA-N 2 1 326.529 1.638 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000356207620 445676168 /nfs/dbraw/zinc/67/61/68/445676168.db2.gz QYIOCPCCDVHVRK-OAHLLOKOSA-N 2 1 326.529 1.638 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000356236217 445691204 /nfs/dbraw/zinc/69/12/04/445691204.db2.gz YXTVBFVZMHOMTG-IYBDPMFKSA-N 2 1 347.507 1.971 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000360330384 445696888 /nfs/dbraw/zinc/69/68/88/445696888.db2.gz UFQFUNURWZZZDP-MISYRCLQSA-N 2 1 347.503 1.180 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+]1CCCC1 ZINC000358658572 445698970 /nfs/dbraw/zinc/69/89/70/445698970.db2.gz FFNRSMAUYHCNRH-AEFFLSMTSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)OCC[C@@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000349854921 445700249 /nfs/dbraw/zinc/70/02/49/445700249.db2.gz PMRFIRXQYJMRHI-QZTJIDSGSA-N 2 1 327.513 1.264 20 0 EDADMP CC(C)OCC[C@@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000349854921 445700253 /nfs/dbraw/zinc/70/02/53/445700253.db2.gz PMRFIRXQYJMRHI-QZTJIDSGSA-N 2 1 327.513 1.264 20 0 EDADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCC[N@@H+]3CC=C(C)CC3)C2)CC1 ZINC000358669127 445704272 /nfs/dbraw/zinc/70/42/72/445704272.db2.gz QYHIJHUSVSGXGL-GOSISDBHSA-N 2 1 349.523 1.060 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](N2CCOCC2)[C@@H]1C ZINC000356263729 445706927 /nfs/dbraw/zinc/70/69/27/445706927.db2.gz RVWUFHSQMIXTHQ-LPHOPBHVSA-N 2 1 341.459 1.871 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363179037 445709806 /nfs/dbraw/zinc/70/98/06/445709806.db2.gz CZMIIAKDMQFWPM-CVEARBPZSA-N 2 1 339.528 1.184 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363179037 445709809 /nfs/dbraw/zinc/70/98/09/445709809.db2.gz CZMIIAKDMQFWPM-CVEARBPZSA-N 2 1 339.528 1.184 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NCCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000363189808 445714483 /nfs/dbraw/zinc/71/44/83/445714483.db2.gz KCWLXLLBDXGHPM-SFHVURJKSA-N 2 1 332.492 1.432 20 0 EDADMP CC(C)[NH+](C)CC(=O)NCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000363189808 445714485 /nfs/dbraw/zinc/71/44/85/445714485.db2.gz KCWLXLLBDXGHPM-SFHVURJKSA-N 2 1 332.492 1.432 20 0 EDADMP CC(C)[NH+](C)CC(=O)NCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000363189808 445714488 /nfs/dbraw/zinc/71/44/88/445714488.db2.gz KCWLXLLBDXGHPM-SFHVURJKSA-N 2 1 332.492 1.432 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000349929654 445723653 /nfs/dbraw/zinc/72/36/53/445723653.db2.gz CHTOEBFRIMSTEI-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000349929654 445723656 /nfs/dbraw/zinc/72/36/56/445723656.db2.gz CHTOEBFRIMSTEI-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000349934717 445726331 /nfs/dbraw/zinc/72/63/31/445726331.db2.gz OPILCRKHUJMIIG-MRXNPFEDSA-N 2 1 326.485 1.128 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000363230549 445731950 /nfs/dbraw/zinc/73/19/50/445731950.db2.gz JGVBUJCWYZPNML-UHFFFAOYSA-N 2 1 334.464 1.733 20 0 EDADMP CNC(=O)COc1cccc(C[NH2+]C2CC[NH+](CCOC)CC2)c1 ZINC000353810629 445766412 /nfs/dbraw/zinc/76/64/12/445766412.db2.gz WHDXPCRPHOQWHQ-UHFFFAOYSA-N 2 1 335.448 1.012 20 0 EDADMP C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000356443669 445792075 /nfs/dbraw/zinc/79/20/75/445792075.db2.gz FODXAZOSTKGNDT-JENIJYKNSA-N 2 1 345.487 1.595 20 0 EDADMP C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000356443669 445792078 /nfs/dbraw/zinc/79/20/78/445792078.db2.gz FODXAZOSTKGNDT-JENIJYKNSA-N 2 1 345.487 1.595 20 0 EDADMP Cc1nccn1CCCC[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363459229 445813930 /nfs/dbraw/zinc/81/39/30/445813930.db2.gz IVDGVOGQZQDDCO-IBGZPJMESA-N 2 1 333.524 1.931 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@]2(F)CC[NH2+]C2)C[C@H](C)O1 ZINC000361711544 445892073 /nfs/dbraw/zinc/89/20/73/445892073.db2.gz SUHCSBGUZGXGQF-KHYOSLBOSA-N 2 1 349.450 1.614 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@]2(F)CC[NH2+]C2)C[C@H](C)O1 ZINC000361711544 445892078 /nfs/dbraw/zinc/89/20/78/445892078.db2.gz SUHCSBGUZGXGQF-KHYOSLBOSA-N 2 1 349.450 1.614 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C2)c1 ZINC000365986526 445942913 /nfs/dbraw/zinc/94/29/13/445942913.db2.gz YSBKXDLDHACLIL-GJZGRUSLSA-N 2 1 325.478 1.805 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H](C)CS(C)(=O)=O)C2)c1 ZINC000365986526 445942921 /nfs/dbraw/zinc/94/29/21/445942921.db2.gz YSBKXDLDHACLIL-GJZGRUSLSA-N 2 1 325.478 1.805 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000351018024 445971169 /nfs/dbraw/zinc/97/11/69/445971169.db2.gz TUYJNXYRNGHQAV-BZUAXINKSA-N 2 1 340.512 1.164 20 0 EDADMP COc1cccc(CN2CCC(N3CCN(C)CC3=O)CC2)c1OC ZINC000365024292 445977623 /nfs/dbraw/zinc/97/76/23/445977623.db2.gz ZSTHPXKAFJQEQZ-UHFFFAOYSA-N 2 1 347.459 1.442 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C2CC2)n(C)n1 ZINC000359194289 446020637 /nfs/dbraw/zinc/02/06/37/446020637.db2.gz AQXYKJQRCCHLNT-INIZCTEOSA-N 2 1 347.507 1.786 20 0 EDADMP C[C@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1CC(C)(C)O ZINC000356807192 446039159 /nfs/dbraw/zinc/03/91/59/446039159.db2.gz VAXVAIQJAPZCSQ-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CC(C)(C)O ZINC000356807192 446039164 /nfs/dbraw/zinc/03/91/64/446039164.db2.gz VAXVAIQJAPZCSQ-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H]1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1CC(C)(C)O ZINC000356807192 446039172 /nfs/dbraw/zinc/03/91/72/446039172.db2.gz VAXVAIQJAPZCSQ-HOTGVXAUSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000356778517 446011111 /nfs/dbraw/zinc/01/11/11/446011111.db2.gz QNGQZNPSBCGJAQ-JKSUJKDBSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000356778517 446011115 /nfs/dbraw/zinc/01/11/15/446011115.db2.gz QNGQZNPSBCGJAQ-JKSUJKDBSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H](O)C[NH+](C)C1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000356778517 446011120 /nfs/dbraw/zinc/01/11/20/446011120.db2.gz QNGQZNPSBCGJAQ-JKSUJKDBSA-N 2 1 325.497 1.555 20 0 EDADMP CCCN(CC[NH+]1CCCCC1)C(=O)NCCC[NH+]1CCOCC1 ZINC000583281362 326042121 /nfs/dbraw/zinc/04/21/21/326042121.db2.gz UVFPLIGBFQPYMA-UHFFFAOYSA-N 2 1 340.512 1.616 20 0 EDADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000583385646 326063775 /nfs/dbraw/zinc/06/37/75/326063775.db2.gz OUIFYVSDEDTMPA-PVAVHDDUSA-N 2 1 343.537 1.653 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)[C@H](C)C1 ZINC000583635702 326109237 /nfs/dbraw/zinc/10/92/37/326109237.db2.gz RGIHDVPKICPKOH-NUJGCVRESA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cc(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cn2cc[nH+]c12 ZINC000583677087 326115388 /nfs/dbraw/zinc/11/53/88/326115388.db2.gz WHWONXFXTMPBAZ-INIZCTEOSA-N 2 1 345.447 1.857 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)[C@@H](C)OC)CC2)CC1 ZINC000583761860 326135692 /nfs/dbraw/zinc/13/56/92/326135692.db2.gz DRAUJKPAMUBGSI-LSDHHAIUSA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2[C@@H]2CCC[N@H+]2C)CC1 ZINC000369329759 446076756 /nfs/dbraw/zinc/07/67/56/446076756.db2.gz NPAANBNJBMDYBE-ROUUACIJSA-N 2 1 336.524 1.534 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000351476522 446077418 /nfs/dbraw/zinc/07/74/18/446077418.db2.gz KYUTZKOMCIZPPG-ZNMIVQPWSA-N 2 1 330.432 1.621 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000351476522 446077425 /nfs/dbraw/zinc/07/74/25/446077425.db2.gz KYUTZKOMCIZPPG-ZNMIVQPWSA-N 2 1 330.432 1.621 20 0 EDADMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000369648174 446140085 /nfs/dbraw/zinc/14/00/85/446140085.db2.gz NTWTUOOGAYRBEZ-RYUDHWBXSA-N 2 1 330.354 1.541 20 0 EDADMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000369648174 446140089 /nfs/dbraw/zinc/14/00/89/446140089.db2.gz NTWTUOOGAYRBEZ-RYUDHWBXSA-N 2 1 330.354 1.541 20 0 EDADMP CC[NH+](CC)CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000366268355 446117047 /nfs/dbraw/zinc/11/70/47/446117047.db2.gz UJRWNVZEILHUFC-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@@H]1C ZINC000369547206 446130912 /nfs/dbraw/zinc/13/09/12/446130912.db2.gz RQJIJJZDJHNDNV-JUVOFCAFSA-N 2 1 338.496 1.100 20 0 EDADMP Cn1cc([C@H]2[C@@H](CNC(=O)NC[C@H]3CCC[N@H+]3C)CCC[NH+]2C)cn1 ZINC000365346575 446160132 /nfs/dbraw/zinc/16/01/32/446160132.db2.gz DCEMWOSOPLXXFP-DJIMGWMZSA-N 2 1 348.495 1.196 20 0 EDADMP Cn1cc([C@H]2[C@@H](CNC(=O)NC[C@H]3CCC[NH+]3C)CCC[N@@H+]2C)cn1 ZINC000365346575 446160139 /nfs/dbraw/zinc/16/01/39/446160139.db2.gz DCEMWOSOPLXXFP-DJIMGWMZSA-N 2 1 348.495 1.196 20 0 EDADMP Cn1cc([C@H]2[C@@H](CNC(=O)NC[C@H]3CCC[NH+]3C)CCC[N@H+]2C)cn1 ZINC000365346575 446160146 /nfs/dbraw/zinc/16/01/46/446160146.db2.gz DCEMWOSOPLXXFP-DJIMGWMZSA-N 2 1 348.495 1.196 20 0 EDADMP O=C(NC1CC[NH+](CC2CC2)CC1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365356637 446165751 /nfs/dbraw/zinc/16/57/51/446165751.db2.gz LRPKNWYUEPTCIC-WDSOQIARSA-N 2 1 346.519 1.987 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC(OCC[NH+](C)C)CC1)C(C)C ZINC000359362831 446174622 /nfs/dbraw/zinc/17/46/22/446174622.db2.gz QTJCUUNQFLKNFG-UHFFFAOYSA-N 2 1 328.501 1.469 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)CC[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC000366387683 446185976 /nfs/dbraw/zinc/18/59/76/446185976.db2.gz BWEQGSMRDTZQBH-BZUAXINKSA-N 2 1 326.485 1.079 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000359312201 446143044 /nfs/dbraw/zinc/14/30/44/446143044.db2.gz KSVJXJTVMDAZCZ-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369665819 446144150 /nfs/dbraw/zinc/14/41/50/446144150.db2.gz SYJYVHZVSNTEHW-ZBFHGGJFSA-N 2 1 346.479 1.850 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369669193 446144848 /nfs/dbraw/zinc/14/48/48/446144848.db2.gz XVVGWXBBVVOJPT-XMTFNYHQSA-N 2 1 334.508 1.987 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359457254 446233837 /nfs/dbraw/zinc/23/38/37/446233837.db2.gz IURMRKRUOGAQDR-OALUTQOASA-N 3 1 328.504 1.870 20 0 EDADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000362157330 446240529 /nfs/dbraw/zinc/24/05/29/446240529.db2.gz URJJAZGFNOXVID-SJORKVTESA-N 2 1 340.512 1.611 20 0 EDADMP Cc1c[nH+]ccc1N1CCC(C(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000370349172 446241015 /nfs/dbraw/zinc/24/10/15/446241015.db2.gz CUSCOTXFHKAHDL-UHFFFAOYSA-N 2 1 328.460 1.985 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000359566821 446294703 /nfs/dbraw/zinc/29/47/03/446294703.db2.gz BCPRMLXYKBOWPP-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000359566821 446294705 /nfs/dbraw/zinc/29/47/05/446294705.db2.gz BCPRMLXYKBOWPP-GVDBMIGSSA-N 2 1 338.496 1.365 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000359483438 446250951 /nfs/dbraw/zinc/25/09/51/446250951.db2.gz OVRJSLFJGLRWID-UHFFFAOYSA-N 2 1 348.447 1.035 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(-n2cccn2)c1 ZINC000370396876 446260744 /nfs/dbraw/zinc/26/07/44/446260744.db2.gz LOBQXLPHHPZSBW-UHFFFAOYSA-N 2 1 327.476 1.942 20 0 EDADMP C[C@@H]1C[N@H+](Cc2c[nH]c3nccnc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365661346 446291694 /nfs/dbraw/zinc/29/16/94/446291694.db2.gz QNYHVOCWJCQGPD-GDBMZVCRSA-N 2 1 328.464 1.367 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCOc3ccccc3C2)CC[N@H+]1C ZINC000370541628 446323998 /nfs/dbraw/zinc/32/39/98/446323998.db2.gz HZNVHCHHIQYHMI-RDJZCZTQSA-N 2 1 331.460 1.870 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000417511331 446358753 /nfs/dbraw/zinc/35/87/53/446358753.db2.gz YSMNGLXESQSGEV-QZTJIDSGSA-N 2 1 330.476 1.554 20 0 EDADMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000366890213 446399390 /nfs/dbraw/zinc/39/93/90/446399390.db2.gz YKEXJFATBVZQOX-CYBMUJFWSA-N 2 1 333.398 1.957 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516836 446360843 /nfs/dbraw/zinc/36/08/43/446360843.db2.gz OVOSNLJKCULPKO-DLBZAZTESA-N 2 1 334.464 1.357 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000417575591 446365497 /nfs/dbraw/zinc/36/54/97/446365497.db2.gz GHOXPKLNMPWQKZ-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000374804201 446400212 /nfs/dbraw/zinc/40/02/12/446400212.db2.gz YQWVWSWYTGKBFO-UHFFFAOYSA-N 2 1 336.451 1.917 20 0 EDADMP COCCC[N@@H+](C)CCN[C@@H]1CC[NH+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000370682224 446384401 /nfs/dbraw/zinc/38/44/01/446384401.db2.gz MXOIGBMRNRXOKK-OKZBNKHCSA-N 2 1 327.513 1.434 20 0 EDADMP COCCC[NH+](C)CCN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000370682224 446384407 /nfs/dbraw/zinc/38/44/07/446384407.db2.gz MXOIGBMRNRXOKK-OKZBNKHCSA-N 2 1 327.513 1.434 20 0 EDADMP COCCC[NH+](C)CCN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000370682224 446384412 /nfs/dbraw/zinc/38/44/12/446384412.db2.gz MXOIGBMRNRXOKK-OKZBNKHCSA-N 2 1 327.513 1.434 20 0 EDADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000423124182 446430527 /nfs/dbraw/zinc/43/05/27/446430527.db2.gz MFUXFTVSLIPJJA-MOPGFXCFSA-N 2 1 348.491 1.269 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000370775324 446433337 /nfs/dbraw/zinc/43/33/37/446433337.db2.gz VNUAXRDGHMMUFF-JHJVBQTASA-N 2 1 338.477 1.221 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000370775324 446433346 /nfs/dbraw/zinc/43/33/46/446433346.db2.gz VNUAXRDGHMMUFF-JHJVBQTASA-N 2 1 338.477 1.221 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000418081013 446434395 /nfs/dbraw/zinc/43/43/95/446434395.db2.gz UOOZDKWAENTXOX-QWHCGFSZSA-N 2 1 338.418 1.948 20 0 EDADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418100230 446440953 /nfs/dbraw/zinc/44/09/53/446440953.db2.gz DFMXTPDFVSYRNT-IPMKNSEASA-N 2 1 342.487 1.759 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417974961 446404771 /nfs/dbraw/zinc/40/47/71/446404771.db2.gz DXHSXHVEWFDJCW-NVXWUHKLSA-N 2 1 334.464 1.266 20 0 EDADMP CC1(C)CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000418003008 446412097 /nfs/dbraw/zinc/41/20/97/446412097.db2.gz YLYFKCUPONNHPV-KRWDZBQOSA-N 2 1 346.475 1.147 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[NH2+]C[C@H]3C)CC2)cc1 ZINC000420290861 446454178 /nfs/dbraw/zinc/45/41/78/446454178.db2.gz JRJAELJBLNLXJK-GOSISDBHSA-N 2 1 344.503 1.323 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423211163 446455415 /nfs/dbraw/zinc/45/54/15/446455415.db2.gz ICBOCGHJPJVCLM-RDGKXADDSA-N 2 1 337.489 1.884 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000418227419 446465394 /nfs/dbraw/zinc/46/53/94/446465394.db2.gz QRFGSSYZXHGWKO-QGZVFWFLSA-N 2 1 334.464 1.270 20 0 EDADMP [NH3+]CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000418226840 446465485 /nfs/dbraw/zinc/46/54/85/446465485.db2.gz PVBZVPQNBURTNE-KRWDZBQOSA-N 2 1 346.475 1.173 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000418229231 446467202 /nfs/dbraw/zinc/46/72/02/446467202.db2.gz CLXGYRBUTIBBTA-DJIMGWMZSA-N 2 1 340.512 1.643 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000420309159 446472063 /nfs/dbraw/zinc/47/20/63/446472063.db2.gz OJTODYCAOGZXNM-WNRNVDISSA-N 3 1 330.476 1.075 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000420309676 446472181 /nfs/dbraw/zinc/47/21/81/446472181.db2.gz FALDSEMPWLKSEI-MOPGFXCFSA-N 2 1 347.503 1.924 20 0 EDADMP CNC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000367030696 446476402 /nfs/dbraw/zinc/47/64/02/446476402.db2.gz RRNLQSJOQFCYAK-APWZRJJASA-N 2 1 344.503 1.504 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000367030696 446476410 /nfs/dbraw/zinc/47/64/10/446476410.db2.gz RRNLQSJOQFCYAK-APWZRJJASA-N 2 1 344.503 1.504 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C[C@H](C)O1 ZINC000423298763 446478268 /nfs/dbraw/zinc/47/82/68/446478268.db2.gz AGENIPXWGGOXDM-HLLBOEOZSA-N 2 1 349.479 1.037 20 0 EDADMP COC(=O)c1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420321519 446487193 /nfs/dbraw/zinc/48/71/93/446487193.db2.gz VLCHJLVTPNZGBG-OAHLLOKOSA-N 2 1 345.443 1.733 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)NCCC[NH2+]C1CC1 ZINC000418291149 446487151 /nfs/dbraw/zinc/48/71/51/446487151.db2.gz VAYZBNKOFBNKPH-INIZCTEOSA-N 2 1 332.448 1.493 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000374967149 446487775 /nfs/dbraw/zinc/48/77/75/446487775.db2.gz YZAFQVVNRZKDCQ-ZMSDIMECSA-N 2 1 345.491 1.768 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000374967149 446487781 /nfs/dbraw/zinc/48/77/81/446487781.db2.gz YZAFQVVNRZKDCQ-ZMSDIMECSA-N 2 1 345.491 1.768 20 0 EDADMP COC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1C ZINC000420323075 446489437 /nfs/dbraw/zinc/48/94/37/446489437.db2.gz XSQHDJQTHAHXFT-OAHLLOKOSA-N 2 1 347.459 1.922 20 0 EDADMP COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420332456 446502690 /nfs/dbraw/zinc/50/26/90/446502690.db2.gz JTKBBYRXAHBHEK-IYBDPMFKSA-N 2 1 331.460 1.585 20 0 EDADMP C[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C[NH+]1CCOCC1 ZINC000423374333 446506397 /nfs/dbraw/zinc/50/63/97/446506397.db2.gz IHMHCOHQOCGVND-DOTOQJQBSA-N 2 1 333.476 1.797 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423391260 446514179 /nfs/dbraw/zinc/51/41/79/446514179.db2.gz NLGOZEINZISLGO-CABCVRRESA-N 2 1 333.480 1.443 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC12CCOCC2 ZINC000420330105 446498766 /nfs/dbraw/zinc/49/87/66/446498766.db2.gz PKRNIXKOJNPUKJ-KZNAEPCWSA-N 2 1 349.519 1.855 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC12CCOCC2 ZINC000420330105 446498773 /nfs/dbraw/zinc/49/87/73/446498773.db2.gz PKRNIXKOJNPUKJ-KZNAEPCWSA-N 2 1 349.519 1.855 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418478253 446558276 /nfs/dbraw/zinc/55/82/76/446558276.db2.gz VFDANIAKHHRIHJ-CABCVRRESA-N 2 1 326.485 1.114 20 0 EDADMP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344199 446517622 /nfs/dbraw/zinc/51/76/22/446517622.db2.gz SRVCJCJHUPTGJF-JONQDZQNSA-N 2 1 336.480 1.322 20 0 EDADMP CCn1c2ccc(F)cc2nc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346704 446521260 /nfs/dbraw/zinc/52/12/60/446521260.db2.gz DIWUJCXSBWEKMP-OAHLLOKOSA-N 2 1 331.439 1.675 20 0 EDADMP CCn1c2ccc(F)cc2nc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346704 446521265 /nfs/dbraw/zinc/52/12/65/446521265.db2.gz DIWUJCXSBWEKMP-OAHLLOKOSA-N 2 1 331.439 1.675 20 0 EDADMP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420350945 446529519 /nfs/dbraw/zinc/52/95/19/446529519.db2.gz VHPYJVNBCDEQKL-WMZOPIPTSA-N 2 1 330.476 1.408 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433153595 446538825 /nfs/dbraw/zinc/53/88/25/446538825.db2.gz WRLHIGCQZRSRMN-GOSISDBHSA-N 3 1 338.540 1.961 20 0 EDADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433153595 446538829 /nfs/dbraw/zinc/53/88/29/446538829.db2.gz WRLHIGCQZRSRMN-GOSISDBHSA-N 2 1 338.540 1.961 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433153595 446538832 /nfs/dbraw/zinc/53/88/32/446538832.db2.gz WRLHIGCQZRSRMN-GOSISDBHSA-N 2 1 338.540 1.961 20 0 EDADMP C[C@@H](CCCc1cccnc1)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000453092363 446543052 /nfs/dbraw/zinc/54/30/52/446543052.db2.gz DKCAVBFMDWBUQP-WMZOPIPTSA-N 2 1 332.492 1.970 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000418448885 446547263 /nfs/dbraw/zinc/54/72/63/446547263.db2.gz RGQQHJJKVUGFCS-ZWKOTPCHSA-N 2 1 348.491 1.222 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC[N@H+]1CCOC ZINC000418600447 446610339 /nfs/dbraw/zinc/61/03/39/446610339.db2.gz KVMUCZYBYRSTDX-BZUAXINKSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]1 ZINC000418607315 446612825 /nfs/dbraw/zinc/61/28/25/446612825.db2.gz QSHXJJKNKNLLAL-AEFFLSMTSA-N 2 1 330.476 1.697 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418612574 446616460 /nfs/dbraw/zinc/61/64/60/446616460.db2.gz ICJGBYBNABMKBB-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP CC1(CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]CC1 ZINC000418513513 446575430 /nfs/dbraw/zinc/57/54/30/446575430.db2.gz GCOFTSMEXNAYDT-UHFFFAOYSA-N 2 1 344.503 1.946 20 0 EDADMP O=C1N[C@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420406588 446580192 /nfs/dbraw/zinc/58/01/92/446580192.db2.gz RBEVEHBKTQPYFG-OALUTQOASA-N 2 1 342.487 1.839 20 0 EDADMP CCC[C@H]1CN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418537496 446584888 /nfs/dbraw/zinc/58/48/88/446584888.db2.gz JUUVNVQYBTUYQQ-WMZOPIPTSA-N 2 1 340.512 1.518 20 0 EDADMP CN(C(=O)NCC(F)(F)C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418540790 446586938 /nfs/dbraw/zinc/58/69/38/446586938.db2.gz PERCNECJDODOAX-AWEZNQCLSA-N 2 1 326.391 1.496 20 0 EDADMP CN(C(=O)NCC(F)(F)C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418540790 446586939 /nfs/dbraw/zinc/58/69/39/446586939.db2.gz PERCNECJDODOAX-AWEZNQCLSA-N 2 1 326.391 1.496 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CC ZINC000418592656 446606332 /nfs/dbraw/zinc/60/63/32/446606332.db2.gz DGWXQPKLEDLTIV-ARFHVFGLSA-N 2 1 326.485 1.269 20 0 EDADMP [NH3+]CCC[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000418665032 446640976 /nfs/dbraw/zinc/64/09/76/446640976.db2.gz DLMTYTDSLXTMHP-QZTJIDSGSA-N 2 1 348.491 1.613 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423747600 446677082 /nfs/dbraw/zinc/67/70/82/446677082.db2.gz SRBDHQYCWOOTBD-RBUKOAKNSA-N 2 1 344.503 1.705 20 0 EDADMP COCC1(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC[NH2+]CC1 ZINC000423720132 446659009 /nfs/dbraw/zinc/65/90/09/446659009.db2.gz AAINDXFRMZUQBS-IXDOHACOSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000423724930 446660162 /nfs/dbraw/zinc/66/01/62/446660162.db2.gz ITCZOZFNHRXCDK-MRXNPFEDSA-N 2 1 341.459 1.691 20 0 EDADMP COC(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371161461 446662970 /nfs/dbraw/zinc/66/29/70/446662970.db2.gz WMPBICDFXBOKFW-HNNXBMFYSA-N 2 1 325.497 1.676 20 0 EDADMP COC(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371161461 446662974 /nfs/dbraw/zinc/66/29/74/446662974.db2.gz WMPBICDFXBOKFW-HNNXBMFYSA-N 2 1 325.497 1.676 20 0 EDADMP CC[N@H+](CCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1)C(C)C ZINC000434102882 446622428 /nfs/dbraw/zinc/62/24/28/446622428.db2.gz VIKVFCNAWCWKPK-UHFFFAOYSA-N 2 1 328.501 1.469 20 0 EDADMP CC[N@@H+](CCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1)C(C)C ZINC000434102882 446622431 /nfs/dbraw/zinc/62/24/31/446622431.db2.gz VIKVFCNAWCWKPK-UHFFFAOYSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+](CCNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C(C)C ZINC000434102882 446622433 /nfs/dbraw/zinc/62/24/33/446622433.db2.gz VIKVFCNAWCWKPK-UHFFFAOYSA-N 2 1 328.501 1.469 20 0 EDADMP CC[NH+](CCNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C(C)C ZINC000434102882 446622435 /nfs/dbraw/zinc/62/24/35/446622435.db2.gz VIKVFCNAWCWKPK-UHFFFAOYSA-N 2 1 328.501 1.469 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418630746 446623905 /nfs/dbraw/zinc/62/39/05/446623905.db2.gz GCTVPPRGCUKVQP-AEFFLSMTSA-N 2 1 346.475 1.019 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC[N@H+]1C ZINC000418641374 446628140 /nfs/dbraw/zinc/62/81/40/446628140.db2.gz SCLVXRLAVBGLQY-ZWKOTPCHSA-N 2 1 330.476 1.855 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)COC1CCC([NH3+])CC1 ZINC000423767229 446695095 /nfs/dbraw/zinc/69/50/95/446695095.db2.gz ABCJWHSWKOJRFI-RXQRSOPUSA-N 2 1 345.487 1.910 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)NCC[NH+](C)C)[C@@H](C)C2)s1 ZINC000371261085 446721639 /nfs/dbraw/zinc/72/16/39/446721639.db2.gz UQGXCQMWOVRTRW-WFASDCNBSA-N 2 1 339.509 1.523 20 0 EDADMP CO[C@@H](C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000375332557 446728536 /nfs/dbraw/zinc/72/85/36/446728536.db2.gz CMTOJAFUPIHOLC-FQEVSTJZSA-N 2 1 347.503 1.714 20 0 EDADMP CO[C@@H](C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000375332557 446728541 /nfs/dbraw/zinc/72/85/41/446728541.db2.gz CMTOJAFUPIHOLC-FQEVSTJZSA-N 2 1 347.503 1.714 20 0 EDADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000368165730 446681213 /nfs/dbraw/zinc/68/12/13/446681213.db2.gz SKUXHHUWHCNXFN-YOEHRIQHSA-N 2 1 331.476 1.672 20 0 EDADMP C[C@H]1C[C@H](CCNC(=O)COC2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000423902830 446753979 /nfs/dbraw/zinc/75/39/79/446753979.db2.gz MMGXVNBSINBXCK-RDJZCZTQSA-N 2 1 331.460 1.392 20 0 EDADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371304748 446759656 /nfs/dbraw/zinc/75/96/56/446759656.db2.gz KIFXZUNLKXLWSF-DOTOQJQBSA-N 2 1 338.540 1.780 20 0 EDADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371304748 446759661 /nfs/dbraw/zinc/75/96/61/446759661.db2.gz KIFXZUNLKXLWSF-DOTOQJQBSA-N 2 1 338.540 1.780 20 0 EDADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423917426 446766235 /nfs/dbraw/zinc/76/62/35/446766235.db2.gz ZNZPBUSGHHOFBV-FHWLQOOXSA-N 2 1 343.471 1.488 20 0 EDADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423917426 446766239 /nfs/dbraw/zinc/76/62/39/446766239.db2.gz ZNZPBUSGHHOFBV-FHWLQOOXSA-N 2 1 343.471 1.488 20 0 EDADMP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000368327869 446788819 /nfs/dbraw/zinc/78/88/19/446788819.db2.gz NBVVYHMWKQYXSR-HUUCEWRRSA-N 2 1 333.457 1.958 20 0 EDADMP CCn1ccnc1[C@@H](C)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454220911 446811747 /nfs/dbraw/zinc/81/17/47/446811747.db2.gz FBHVHVOBEQRSOM-QLFBSQMISA-N 2 1 337.468 1.763 20 0 EDADMP CNC(=O)[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1c1cnn(C)c1 ZINC000375455461 446812301 /nfs/dbraw/zinc/81/23/01/446812301.db2.gz ODHVHOUIYCJIFH-SJORKVTESA-N 2 1 333.480 1.058 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CCCO1 ZINC000424019266 446826231 /nfs/dbraw/zinc/82/62/31/446826231.db2.gz JTOVBORSYKIYKT-ZWKOTPCHSA-N 2 1 349.450 1.756 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CCCO1 ZINC000424019266 446826235 /nfs/dbraw/zinc/82/62/35/446826235.db2.gz JTOVBORSYKIYKT-ZWKOTPCHSA-N 2 1 349.450 1.756 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1ccc(F)cc1 ZINC000454533087 446902766 /nfs/dbraw/zinc/90/27/66/446902766.db2.gz IDUAKZFXJNCDDQ-BHYGNILZSA-N 2 1 334.439 1.774 20 0 EDADMP Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)[NH+](C)C)cc1 ZINC000454440363 446874376 /nfs/dbraw/zinc/87/43/76/446874376.db2.gz AXJRVUZSRWBXGM-OKZBNKHCSA-N 2 1 330.476 1.943 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC1CCCCC1)C2 ZINC000371489887 446887935 /nfs/dbraw/zinc/88/79/35/446887935.db2.gz ASVLWTROVGKJSR-HIFRSBDPSA-N 2 1 347.463 1.643 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCC[N@H+]1C ZINC000412254834 446912335 /nfs/dbraw/zinc/91/23/35/446912335.db2.gz YRHKHUIUCDRNPO-KBMXLJTQSA-N 2 1 325.522 1.803 20 0 EDADMP CO[C@]1(C)CCC[N@@H+](Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000375683139 446972456 /nfs/dbraw/zinc/97/24/56/446972456.db2.gz OEFRZHCWZATMIF-GOSISDBHSA-N 2 1 333.480 1.619 20 0 EDADMP CO[C@]1(C)CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000375683139 446972463 /nfs/dbraw/zinc/97/24/63/446972463.db2.gz OEFRZHCWZATMIF-GOSISDBHSA-N 2 1 333.480 1.619 20 0 EDADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000419196011 447005406 /nfs/dbraw/zinc/00/54/06/447005406.db2.gz AFGDMOYJXRDOJE-OAHLLOKOSA-N 2 1 348.491 1.115 20 0 EDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCOCC3CCC3)CC2)CC1 ZINC000419218756 447015577 /nfs/dbraw/zinc/01/55/77/447015577.db2.gz GILFMEYVAJPTRV-UHFFFAOYSA-N 2 1 337.508 1.679 20 0 EDADMP CC[C@H](COC)NC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372173045 447022061 /nfs/dbraw/zinc/02/20/61/447022061.db2.gz NSCOWJQMNKAWEM-ZBFHGGJFSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@H](COC)NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372173045 447022064 /nfs/dbraw/zinc/02/20/64/447022064.db2.gz NSCOWJQMNKAWEM-ZBFHGGJFSA-N 2 1 326.485 1.221 20 0 EDADMP CCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062251 447001945 /nfs/dbraw/zinc/00/19/45/447001945.db2.gz UBZBMDVNYOIAMH-INIZCTEOSA-N 2 1 333.476 1.900 20 0 EDADMP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000372107655 447004315 /nfs/dbraw/zinc/00/43/15/447004315.db2.gz KVBGXBYYBPUUJY-SJLPKXTDSA-N 2 1 337.508 1.604 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)C2)nc(C)[nH+]1 ZINC000375794565 447056433 /nfs/dbraw/zinc/05/64/33/447056433.db2.gz QCVBBKMOXKDLRG-ZFWWWQNUSA-N 2 1 333.480 1.955 20 0 EDADMP COC(=O)c1cccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000375757327 447025798 /nfs/dbraw/zinc/02/57/98/447025798.db2.gz LJAVTJZAVWTGEE-SJPCQFCGSA-N 2 1 345.443 1.969 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CCC(C)(C)O3)C2)CC1 ZINC000372485168 447081680 /nfs/dbraw/zinc/08/16/80/447081680.db2.gz PSNARULRYQFXQM-GDBMZVCRSA-N 2 1 338.496 1.412 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@H]3CCC(C)(C)O3)C2)CC1 ZINC000372485168 447081685 /nfs/dbraw/zinc/08/16/85/447081685.db2.gz PSNARULRYQFXQM-GDBMZVCRSA-N 2 1 338.496 1.412 20 0 EDADMP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000444175822 447089600 /nfs/dbraw/zinc/08/96/00/447089600.db2.gz LVNNPEYFODWXHS-IEBWSBKVSA-N 2 1 331.435 1.860 20 0 EDADMP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000444175822 447089604 /nfs/dbraw/zinc/08/96/04/447089604.db2.gz LVNNPEYFODWXHS-IEBWSBKVSA-N 2 1 331.435 1.860 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000372578399 447157686 /nfs/dbraw/zinc/15/76/86/447157686.db2.gz RTWJUMYAEHEDLP-BZSNNMDCSA-N 2 1 345.491 1.858 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000372578399 447157689 /nfs/dbraw/zinc/15/76/89/447157689.db2.gz RTWJUMYAEHEDLP-BZSNNMDCSA-N 2 1 345.491 1.858 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000372578399 447157693 /nfs/dbraw/zinc/15/76/93/447157693.db2.gz RTWJUMYAEHEDLP-BZSNNMDCSA-N 2 1 345.491 1.858 20 0 EDADMP C[N@@H+](CCCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000419408451 447158751 /nfs/dbraw/zinc/15/87/51/447158751.db2.gz LPDONWSHFMFKKM-GJZGRUSLSA-N 2 1 338.496 1.143 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425458177 447173219 /nfs/dbraw/zinc/17/32/19/447173219.db2.gz MBHPSERCOQIKPI-KRWDZBQOSA-N 2 1 338.540 1.735 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000425462317 447174869 /nfs/dbraw/zinc/17/48/69/447174869.db2.gz DXUIMDMPKIDSCB-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP CC[N@H+]1CCC[C@@H](CN(C)CCN2CCNC2=O)[C@@H]1c1cnn(C)c1 ZINC000377531854 447184994 /nfs/dbraw/zinc/18/49/94/447184994.db2.gz ZDNXMHFWHXNEDG-DOTOQJQBSA-N 2 1 348.495 1.150 20 0 EDADMP C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000425648459 447252529 /nfs/dbraw/zinc/25/25/29/447252529.db2.gz ULQSNWHVIOEAPP-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000425648459 447252535 /nfs/dbraw/zinc/25/25/35/447252535.db2.gz ULQSNWHVIOEAPP-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1C[C@@H]2CCCN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000425648459 447252541 /nfs/dbraw/zinc/25/25/41/447252541.db2.gz ULQSNWHVIOEAPP-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP C[N@H+](Cc1cnc2cnccn12)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626789 447254703 /nfs/dbraw/zinc/25/47/03/447254703.db2.gz MPLOVBVJNRJOQC-MRXNPFEDSA-N 2 1 328.464 1.330 20 0 EDADMP C[N@@H+](Cc1cnc2cnccn12)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626789 447254708 /nfs/dbraw/zinc/25/47/08/447254708.db2.gz MPLOVBVJNRJOQC-MRXNPFEDSA-N 2 1 328.464 1.330 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000376042024 447230726 /nfs/dbraw/zinc/23/07/26/447230726.db2.gz JNIOBXLVHPKRCY-ICSRJNTNSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@@H+]1CCO ZINC000455872750 447245279 /nfs/dbraw/zinc/24/52/79/447245279.db2.gz ZAXJOHYBGJXKEC-KBXCAEBGSA-N 2 1 346.475 1.766 20 0 EDADMP C[C@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@H+]1CCO ZINC000455872750 447245284 /nfs/dbraw/zinc/24/52/84/447245284.db2.gz ZAXJOHYBGJXKEC-KBXCAEBGSA-N 2 1 346.475 1.766 20 0 EDADMP Cc1c([C@H](C)[NH2+]CCOCC[NH+](C)C)nnn1-c1ccc(F)cc1 ZINC000447596639 447280269 /nfs/dbraw/zinc/28/02/69/447280269.db2.gz QPEGEBZCDAKWSC-ZDUSSCGKSA-N 2 1 335.427 1.944 20 0 EDADMP [NH3+]CCn1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)nn1 ZINC000379667406 447454544 /nfs/dbraw/zinc/45/45/44/447454544.db2.gz ZPXGLEJZSXXIFD-MRXNPFEDSA-N 2 1 342.447 1.021 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NCC1CC[NH+](C2CC2)CC1 ZINC000458707198 447457851 /nfs/dbraw/zinc/45/78/51/447457851.db2.gz NXHHNILPFMXBMY-KRWDZBQOSA-N 2 1 338.496 1.007 20 0 EDADMP COCc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000382469826 447462580 /nfs/dbraw/zinc/46/25/80/447462580.db2.gz GUVXXONQJJKUKT-YOEHRIQHSA-N 2 1 335.448 1.506 20 0 EDADMP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390899740 447504902 /nfs/dbraw/zinc/50/49/02/447504902.db2.gz MXTSMMXCOBHBCM-KSZLIROESA-N 2 1 331.460 1.521 20 0 EDADMP Cn1ccnc1[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000458779752 447475145 /nfs/dbraw/zinc/47/51/45/447475145.db2.gz UMOZLAXQUWFLOW-CABCVRRESA-N 2 1 335.452 1.017 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C[C@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000427292985 447575793 /nfs/dbraw/zinc/57/57/93/447575793.db2.gz WMNBXRAUELOXJP-MJGOQNOKSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C[C@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000427292985 447575798 /nfs/dbraw/zinc/57/57/98/447575798.db2.gz WMNBXRAUELOXJP-MJGOQNOKSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C[C@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000427292985 447575803 /nfs/dbraw/zinc/57/58/03/447575803.db2.gz WMNBXRAUELOXJP-MJGOQNOKSA-N 2 1 344.503 1.481 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1ccccc1 ZINC000457427928 447578517 /nfs/dbraw/zinc/57/85/17/447578517.db2.gz WDXKJMVINOAVOU-ROUUACIJSA-N 2 1 348.491 1.435 20 0 EDADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C[C@H]1CC[NH2+]C1)CC2 ZINC000427320559 447580949 /nfs/dbraw/zinc/58/09/49/447580949.db2.gz NDRYFWILSKTIBA-CQSZACIVSA-N 2 1 347.459 1.178 20 0 EDADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C[C@H]1CC[NH2+]C1)CC2 ZINC000427320559 447580953 /nfs/dbraw/zinc/58/09/53/447580953.db2.gz NDRYFWILSKTIBA-CQSZACIVSA-N 2 1 347.459 1.178 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000457514587 447584805 /nfs/dbraw/zinc/58/48/05/447584805.db2.gz MIGOPEIGBRTQFY-MRXNPFEDSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416150364 447532821 /nfs/dbraw/zinc/53/28/21/447532821.db2.gz JQIUARFRDRGKCX-QZTJIDSGSA-N 2 1 333.476 1.906 20 0 EDADMP O=C(COC1CC[NH2+]CC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000393870965 447533135 /nfs/dbraw/zinc/53/31/35/447533135.db2.gz YFFNUHWEIAPNBD-KRWDZBQOSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC[N@H+]1C ZINC000394408748 447538469 /nfs/dbraw/zinc/53/84/69/447538469.db2.gz MQNKLJDKDHGHGJ-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000420013453 447546058 /nfs/dbraw/zinc/54/60/58/447546058.db2.gz LEURMDZVIZAPNI-VYDXJSESSA-N 2 1 346.475 1.134 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000427178617 447558793 /nfs/dbraw/zinc/55/87/93/447558793.db2.gz MQQBPQCIIQUVHF-UHFFFAOYSA-N 2 1 329.416 1.559 20 0 EDADMP CC[N@@H+](CCNC(=O)[C@H](C)C[NH+]1CCOCC1)CCC(F)(F)F ZINC000427261440 447570332 /nfs/dbraw/zinc/57/03/32/447570332.db2.gz XRMXLVKMKSEWLA-CYBMUJFWSA-N 2 1 339.402 1.345 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@H]1C ZINC000459095409 447571317 /nfs/dbraw/zinc/57/13/17/447571317.db2.gz HXDJEZCROQEBBM-OAHLLOKOSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[N@H+]1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@H]1C ZINC000459095409 447571321 /nfs/dbraw/zinc/57/13/21/447571321.db2.gz HXDJEZCROQEBBM-OAHLLOKOSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1NC(=O)N(CC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000459350485 447642028 /nfs/dbraw/zinc/64/20/28/447642028.db2.gz FPRCUROPUBUIBM-WBVHZDCISA-N 2 1 344.459 1.381 20 0 EDADMP C[C@H]1NC(=O)N(CC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000459350485 447642035 /nfs/dbraw/zinc/64/20/35/447642035.db2.gz FPRCUROPUBUIBM-WBVHZDCISA-N 2 1 344.459 1.381 20 0 EDADMP C[C@H]1NC(=O)N(CC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000459350485 447642042 /nfs/dbraw/zinc/64/20/42/447642042.db2.gz FPRCUROPUBUIBM-WBVHZDCISA-N 2 1 344.459 1.381 20 0 EDADMP C[C@H]1NC(=O)N(CC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000459350485 447642049 /nfs/dbraw/zinc/64/20/49/447642049.db2.gz FPRCUROPUBUIBM-WBVHZDCISA-N 2 1 344.459 1.381 20 0 EDADMP COCC[NH2+]CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404264723 447598570 /nfs/dbraw/zinc/59/85/70/447598570.db2.gz GOUNQRVLMWUHHI-ULQDDVLXSA-N 2 1 333.476 1.732 20 0 EDADMP O=C1CC[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCN1 ZINC000450890615 447606305 /nfs/dbraw/zinc/60/63/05/447606305.db2.gz VYQVRHQSCKXOOY-GBESFXJTSA-N 2 1 327.472 1.967 20 0 EDADMP O=C1CC[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCN1 ZINC000450890615 447606313 /nfs/dbraw/zinc/60/63/13/447606313.db2.gz VYQVRHQSCKXOOY-GBESFXJTSA-N 2 1 327.472 1.967 20 0 EDADMP O=C1CC[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCN1 ZINC000450890615 447606319 /nfs/dbraw/zinc/60/63/19/447606319.db2.gz VYQVRHQSCKXOOY-GBESFXJTSA-N 2 1 327.472 1.967 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459252381 447622833 /nfs/dbraw/zinc/62/28/33/447622833.db2.gz GWOZHLWCEGICCP-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000420140130 447629779 /nfs/dbraw/zinc/62/97/79/447629779.db2.gz GSFVTVHZBOJMPV-OAGGEKHMSA-N 2 1 338.496 1.094 20 0 EDADMP C[C@@H]1CN(Cc2cnc(C3CC3)nc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000459562480 447706655 /nfs/dbraw/zinc/70/66/55/447706655.db2.gz PXZNQVYPIURTPT-OAHLLOKOSA-N 2 1 329.492 1.954 20 0 EDADMP C[C@@H]1CN(Cc2cnc(C3CC3)nc2)CC[N@H+]1C1CCN(C)CC1 ZINC000459562480 447706660 /nfs/dbraw/zinc/70/66/60/447706660.db2.gz PXZNQVYPIURTPT-OAHLLOKOSA-N 2 1 329.492 1.954 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416911195 447706743 /nfs/dbraw/zinc/70/67/43/447706743.db2.gz BIIMPHFYHUZIQV-KBXIAJHMSA-N 2 1 326.485 1.253 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416911195 447706746 /nfs/dbraw/zinc/70/67/46/447706746.db2.gz BIIMPHFYHUZIQV-KBXIAJHMSA-N 2 1 326.485 1.253 20 0 EDADMP O[C@@H]1C[C@@H](CNC2CC[NH+](C3CC3)CC2)[N@@H+](Cc2ccccc2)C1 ZINC000459452592 447670732 /nfs/dbraw/zinc/67/07/32/447670732.db2.gz MFZOBVSUVOYJJF-VQTJNVASSA-N 2 1 329.488 1.838 20 0 EDADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000457951845 447683157 /nfs/dbraw/zinc/68/31/57/447683157.db2.gz IRENTOSXAXKTLK-TWMKSMIVSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000457951845 447683160 /nfs/dbraw/zinc/68/31/60/447683160.db2.gz IRENTOSXAXKTLK-TWMKSMIVSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457951845 447683164 /nfs/dbraw/zinc/68/31/64/447683164.db2.gz IRENTOSXAXKTLK-TWMKSMIVSA-N 2 1 340.512 1.061 20 0 EDADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457951845 447683167 /nfs/dbraw/zinc/68/31/67/447683167.db2.gz IRENTOSXAXKTLK-TWMKSMIVSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NC1(C)CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416943256 447718842 /nfs/dbraw/zinc/71/88/42/447718842.db2.gz SZTGFMCKZHDHCP-HNNXBMFYSA-N 2 1 326.485 1.175 20 0 EDADMP CN(C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)C1CC([NH3+])C1 ZINC000417087684 447734165 /nfs/dbraw/zinc/73/41/65/447734165.db2.gz HRBDTBDIPCYMMD-UHFFFAOYSA-N 2 1 330.476 1.954 20 0 EDADMP CO[C@H]1C[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C12CCC2 ZINC000451857601 447764744 /nfs/dbraw/zinc/76/47/44/447764744.db2.gz URHPTUUVBWREEQ-IRXDYDNUSA-N 2 1 337.508 1.865 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[NH2+][C@@H](C)C2)cc1F ZINC000417265986 447739487 /nfs/dbraw/zinc/73/94/87/447739487.db2.gz CZERELGZZRZRPS-LBPRGKRZSA-N 2 1 331.395 1.823 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2ccnn2)CC[N@@H+]1Cc1ccccc1 ZINC000459690429 447741130 /nfs/dbraw/zinc/74/11/30/447741130.db2.gz FEWJIDKYITVHIK-NJAFHUGGSA-N 2 1 329.448 1.282 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2ccnn2)CC[N@H+]1Cc1ccccc1 ZINC000459690429 447741131 /nfs/dbraw/zinc/74/11/31/447741131.db2.gz FEWJIDKYITVHIK-NJAFHUGGSA-N 2 1 329.448 1.282 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000458266956 447758007 /nfs/dbraw/zinc/75/80/07/447758007.db2.gz FGOUOQICNOVMOW-CALCHBBNSA-N 2 1 342.528 1.595 20 0 EDADMP c1cnc(N2CCOCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422822753 447759905 /nfs/dbraw/zinc/75/99/05/447759905.db2.gz BPQGJCGSVWYIRN-OKZBNKHCSA-N 2 1 330.476 1.929 20 0 EDADMP CC[C@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422845844 447767483 /nfs/dbraw/zinc/76/74/83/447767483.db2.gz OWRSBWHFQQILQP-IRXDYDNUSA-N 2 1 345.491 1.241 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422939590 447776712 /nfs/dbraw/zinc/77/67/12/447776712.db2.gz MEPXKHMLWSCZJW-CVEARBPZSA-N 2 1 325.478 1.687 20 0 EDADMP C[C@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1c[nH+]ccc1N ZINC000422961998 447781822 /nfs/dbraw/zinc/78/18/22/447781822.db2.gz BMQFFGYPLKKXGB-YOEHRIQHSA-N 2 1 326.444 1.564 20 0 EDADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000423052387 447798337 /nfs/dbraw/zinc/79/83/37/447798337.db2.gz QLQDUZZMZIVFKS-IRXDYDNUSA-N 2 1 337.489 1.976 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](CC)C1 ZINC000462723935 447799805 /nfs/dbraw/zinc/79/98/05/447799805.db2.gz VOJOMSBQLZNXIJ-BRWVUGGUSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000462723935 447799810 /nfs/dbraw/zinc/79/98/10/447799810.db2.gz VOJOMSBQLZNXIJ-BRWVUGGUSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000462723935 447799813 /nfs/dbraw/zinc/79/98/13/447799813.db2.gz VOJOMSBQLZNXIJ-BRWVUGGUSA-N 2 1 342.528 1.593 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000471649581 447807310 /nfs/dbraw/zinc/80/73/10/447807310.db2.gz ZARMOAQBNWKPPR-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP CN(C(=O)NCCOCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471659243 447808277 /nfs/dbraw/zinc/80/82/77/447808277.db2.gz PSKLAZNDUWBWPF-SFHVURJKSA-N 2 1 348.491 1.481 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@H+](C2CCC2)C1 ZINC000487820754 447837065 /nfs/dbraw/zinc/83/70/65/447837065.db2.gz MPRJDUQPCQQIRS-HZPDHXFCSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+](C2CCC2)C1 ZINC000487820754 447837066 /nfs/dbraw/zinc/83/70/66/447837066.db2.gz MPRJDUQPCQQIRS-HZPDHXFCSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC[NH+](C2CCC2)C1 ZINC000487820754 447837067 /nfs/dbraw/zinc/83/70/67/447837067.db2.gz MPRJDUQPCQQIRS-HZPDHXFCSA-N 2 1 334.508 1.987 20 0 EDADMP CCOC(=O)[C@@H]1[C@@H]([NH2+]CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000496653576 447841422 /nfs/dbraw/zinc/84/14/22/447841422.db2.gz CVIIWKNXQNQNBW-KBPBESRZSA-N 2 1 343.468 1.469 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000549126783 447864457 /nfs/dbraw/zinc/86/44/57/447864457.db2.gz JUGUEAVGZGLEEX-SJLPKXTDSA-N 2 1 331.460 1.345 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000489527106 447862805 /nfs/dbraw/zinc/86/28/05/447862805.db2.gz GNSYIYDIWQVNKO-INIZCTEOSA-N 2 1 326.485 1.082 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C[C@H](C)O1 ZINC000530702471 447943178 /nfs/dbraw/zinc/94/31/78/447943178.db2.gz NOVOCPZGGPJFDR-JZXOWHBKSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C[C@H](C)O1 ZINC000530702471 447943183 /nfs/dbraw/zinc/94/31/83/447943183.db2.gz NOVOCPZGGPJFDR-JZXOWHBKSA-N 2 1 337.508 1.676 20 0 EDADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C[C@H](C)O1 ZINC000530702471 447943186 /nfs/dbraw/zinc/94/31/86/447943186.db2.gz NOVOCPZGGPJFDR-JZXOWHBKSA-N 2 1 337.508 1.676 20 0 EDADMP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000497258138 448013187 /nfs/dbraw/zinc/01/31/87/448013187.db2.gz SDVOQQHUWFDDJV-IJEWVQPXSA-N 2 1 327.469 1.288 20 0 EDADMP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000497258138 448013192 /nfs/dbraw/zinc/01/31/92/448013192.db2.gz SDVOQQHUWFDDJV-IJEWVQPXSA-N 2 1 327.469 1.288 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000570306403 447984738 /nfs/dbraw/zinc/98/47/38/447984738.db2.gz YRCZDFYQZQQLLT-AEFFLSMTSA-N 2 1 345.491 1.026 20 0 EDADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000570322534 447985482 /nfs/dbraw/zinc/98/54/82/447985482.db2.gz JQPAIARCVOHXPZ-QKLQHJQFSA-N 3 1 349.519 1.698 20 0 EDADMP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000525292844 447989494 /nfs/dbraw/zinc/98/94/94/447989494.db2.gz KLVIFXQEKUCYLP-WMZOPIPTSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000525292844 447989503 /nfs/dbraw/zinc/98/95/03/447989503.db2.gz KLVIFXQEKUCYLP-WMZOPIPTSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000525292844 447989508 /nfs/dbraw/zinc/98/95/08/447989508.db2.gz KLVIFXQEKUCYLP-WMZOPIPTSA-N 2 1 331.460 1.345 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000525292844 447989517 /nfs/dbraw/zinc/98/95/17/447989517.db2.gz KLVIFXQEKUCYLP-WMZOPIPTSA-N 2 1 331.460 1.345 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000530819000 447965576 /nfs/dbraw/zinc/96/55/76/447965576.db2.gz CHSLXRAQQNYRFP-UYAOXDASSA-N 2 1 345.487 1.614 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530819000 447965583 /nfs/dbraw/zinc/96/55/83/447965583.db2.gz CHSLXRAQQNYRFP-UYAOXDASSA-N 2 1 345.487 1.614 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530819000 447965593 /nfs/dbraw/zinc/96/55/93/447965593.db2.gz CHSLXRAQQNYRFP-UYAOXDASSA-N 2 1 345.487 1.614 20 0 EDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496913205 448031462 /nfs/dbraw/zinc/03/14/62/448031462.db2.gz RXHGXMGJEMMGCT-JYJNAYRXSA-N 2 1 343.512 1.924 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496913205 448031466 /nfs/dbraw/zinc/03/14/66/448031466.db2.gz RXHGXMGJEMMGCT-JYJNAYRXSA-N 2 1 343.512 1.924 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496913205 448031472 /nfs/dbraw/zinc/03/14/72/448031472.db2.gz RXHGXMGJEMMGCT-JYJNAYRXSA-N 2 1 343.512 1.924 20 0 EDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496913205 448031478 /nfs/dbraw/zinc/03/14/78/448031478.db2.gz RXHGXMGJEMMGCT-JYJNAYRXSA-N 2 1 343.512 1.924 20 0 EDADMP CCOC(=O)N1CCC([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000497284625 448038045 /nfs/dbraw/zinc/03/80/45/448038045.db2.gz HRSUDBWTTWCEMO-OAHLLOKOSA-N 2 1 327.469 1.698 20 0 EDADMP CCOC(=O)N1CCC([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000497284625 448038051 /nfs/dbraw/zinc/03/80/51/448038051.db2.gz HRSUDBWTTWCEMO-OAHLLOKOSA-N 2 1 327.469 1.698 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)[NH+](C)C1 ZINC000501762443 448098092 /nfs/dbraw/zinc/09/80/92/448098092.db2.gz NTPOPGRISFMLDS-ULQDDVLXSA-N 2 1 340.512 1.325 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)[N@H+](C)C1 ZINC000501762443 448098098 /nfs/dbraw/zinc/09/80/98/448098098.db2.gz NTPOPGRISFMLDS-ULQDDVLXSA-N 2 1 340.512 1.325 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)[N@@H+](C)C1 ZINC000501762443 448098106 /nfs/dbraw/zinc/09/81/06/448098106.db2.gz NTPOPGRISFMLDS-ULQDDVLXSA-N 2 1 340.512 1.325 20 0 EDADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000496991490 448101664 /nfs/dbraw/zinc/10/16/64/448101664.db2.gz SNUVOWWZXQJAKX-BMFZPTHFSA-N 2 1 341.496 1.677 20 0 EDADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000496991490 448101669 /nfs/dbraw/zinc/10/16/69/448101669.db2.gz SNUVOWWZXQJAKX-BMFZPTHFSA-N 2 1 341.496 1.677 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN[C@H]1CC[NH+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000576884768 448163100 /nfs/dbraw/zinc/16/31/00/448163100.db2.gz LIGXNWCPVYZHSH-YZGWKJHDSA-N 2 1 347.503 1.875 20 0 EDADMP CC[NH+](C)C[C@H](O)CN[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000576884768 448163106 /nfs/dbraw/zinc/16/31/06/448163106.db2.gz LIGXNWCPVYZHSH-YZGWKJHDSA-N 2 1 347.503 1.875 20 0 EDADMP CC[NH+](C)C[C@H](O)CN[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000576884768 448163111 /nfs/dbraw/zinc/16/31/11/448163111.db2.gz LIGXNWCPVYZHSH-YZGWKJHDSA-N 2 1 347.503 1.875 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000514837827 448211174 /nfs/dbraw/zinc/21/11/74/448211174.db2.gz JWTMXHIBRZLXFN-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2)CC1 ZINC000571908669 448233985 /nfs/dbraw/zinc/23/39/85/448233985.db2.gz PUGSPFXYFWUTQF-PWIZWCRZSA-N 2 1 346.519 1.988 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOc3ccc4ccccc4c3)CCN2C1=O ZINC000582431822 448238630 /nfs/dbraw/zinc/23/86/30/448238630.db2.gz SIJDQUMHUVTSBV-FUHWJXTLSA-N 2 1 325.412 1.462 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOc3ccc4ccccc4c3)CCN2C1=O ZINC000582431822 448238635 /nfs/dbraw/zinc/23/86/35/448238635.db2.gz SIJDQUMHUVTSBV-FUHWJXTLSA-N 2 1 325.412 1.462 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000532282264 448225568 /nfs/dbraw/zinc/22/55/68/448225568.db2.gz JGHRSSJUICAZGS-DJIMGWMZSA-N 2 1 338.496 1.100 20 0 EDADMP COc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000591092301 448259520 /nfs/dbraw/zinc/25/95/20/448259520.db2.gz YQFSFFHLFLHXPY-AEFFLSMTSA-N 2 1 331.460 1.900 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000572116158 448290947 /nfs/dbraw/zinc/29/09/47/448290947.db2.gz MWMSDJMVGCTPBR-AEFFLSMTSA-N 2 1 331.460 1.346 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000582834656 448353380 /nfs/dbraw/zinc/35/33/80/448353380.db2.gz ZLVWWOCALAQKEK-BBWFWOEESA-N 2 1 339.528 1.029 20 0 EDADMP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000582844790 448357331 /nfs/dbraw/zinc/35/73/31/448357331.db2.gz MZKRKFKVCAKTCR-ZWKOTPCHSA-N 2 1 331.460 1.536 20 0 EDADMP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000582844790 448357336 /nfs/dbraw/zinc/35/73/36/448357336.db2.gz MZKRKFKVCAKTCR-ZWKOTPCHSA-N 2 1 331.460 1.536 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000533294774 448383171 /nfs/dbraw/zinc/38/31/71/448383171.db2.gz DTEPHQUNCKVGKM-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000533294774 448383176 /nfs/dbraw/zinc/38/31/76/448383176.db2.gz DTEPHQUNCKVGKM-SJORKVTESA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000591571567 448393471 /nfs/dbraw/zinc/39/34/71/448393471.db2.gz PRGCJBATSONFEI-QGZVFWFLSA-N 2 1 348.491 1.563 20 0 EDADMP COc1ccccc1COC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000572596067 448416275 /nfs/dbraw/zinc/41/62/75/448416275.db2.gz FNQATNRBFSRNSN-YJBOKZPZSA-N 2 1 334.460 1.813 20 0 EDADMP C[N@@H+](C[C@@H](O)CNCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000516762035 448469901 /nfs/dbraw/zinc/46/99/01/448469901.db2.gz SBTSRHMGBNUUAX-FQEVSTJZSA-N 2 1 346.519 1.243 20 0 EDADMP C(C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)N1CC[NH2+]CC1 ZINC000566245230 448429053 /nfs/dbraw/zinc/42/90/53/448429053.db2.gz MOAHPTBLEMHYIZ-MRXNPFEDSA-N 2 1 332.496 1.089 20 0 EDADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C(N)=O)CCOCC2)C[C@@H]1c1ccccc1 ZINC000578137487 448470443 /nfs/dbraw/zinc/47/04/43/448470443.db2.gz JZDHEWWYRTVYIZ-DLBZAZTESA-N 2 1 331.460 1.694 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC2(C(N)=O)CCOCC2)C[C@@H]1c1ccccc1 ZINC000578137487 448470447 /nfs/dbraw/zinc/47/04/47/448470447.db2.gz JZDHEWWYRTVYIZ-DLBZAZTESA-N 2 1 331.460 1.694 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000566296935 448438162 /nfs/dbraw/zinc/43/81/62/448438162.db2.gz AEXFXQRITOEQQG-INIZCTEOSA-N 2 1 326.529 1.545 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN(Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000572703510 448441909 /nfs/dbraw/zinc/44/19/09/448441909.db2.gz KJDCKKQTUJKLAP-ICSRJNTNSA-N 2 1 349.519 1.522 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cnc(N3CCCC3)nc2)CC1 ZINC000591717150 448469693 /nfs/dbraw/zinc/46/96/93/448469693.db2.gz LFXKULFFYUVKCC-UHFFFAOYSA-N 2 1 332.496 1.194 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000591765616 448486205 /nfs/dbraw/zinc/48/62/05/448486205.db2.gz HJKOACITRDGZHC-FGTMMUONSA-N 2 1 334.460 1.801 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000591765616 448486209 /nfs/dbraw/zinc/48/62/09/448486209.db2.gz HJKOACITRDGZHC-FGTMMUONSA-N 2 1 334.460 1.801 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528339609 448491250 /nfs/dbraw/zinc/49/12/50/448491250.db2.gz XYAQGJDPKNICHD-RZFLPCETSA-N 2 1 339.524 1.920 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000517019459 448523999 /nfs/dbraw/zinc/52/39/99/448523999.db2.gz GDBARKAQCVORSR-BPQIPLTHSA-N 2 1 330.476 1.855 20 0 EDADMP C[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000578354607 448527462 /nfs/dbraw/zinc/52/74/62/448527462.db2.gz PQEUQTSNJNIECL-NRUSHDPLSA-N 2 1 348.491 1.750 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000578545171 448576685 /nfs/dbraw/zinc/57/66/85/448576685.db2.gz HTLWCUMCNBJYBE-UHFFFAOYSA-N 2 1 332.448 1.780 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000578545171 448576691 /nfs/dbraw/zinc/57/66/91/448576691.db2.gz HTLWCUMCNBJYBE-UHFFFAOYSA-N 2 1 332.448 1.780 20 0 EDADMP CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000578661183 448606854 /nfs/dbraw/zinc/60/68/54/448606854.db2.gz YJKKLDPWRYHYFG-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000567147815 448623707 /nfs/dbraw/zinc/62/37/07/448623707.db2.gz DXIIZFZVRJXOMP-JQHSSLGASA-N 2 1 330.476 1.682 20 0 EDADMP Cc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)n(C)n1 ZINC000573429713 448623791 /nfs/dbraw/zinc/62/37/91/448623791.db2.gz XKIKYJFQBGAKJN-MRXNPFEDSA-N 2 1 333.505 1.868 20 0 EDADMP C[NH+]1CCN(CCCC[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000578574828 448582091 /nfs/dbraw/zinc/58/20/91/448582091.db2.gz SYPAMKHWPGXSNU-UHFFFAOYSA-N 2 1 327.476 1.990 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC000573278509 448586184 /nfs/dbraw/zinc/58/61/84/448586184.db2.gz AZFQSRYLTIQGMQ-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC000573278509 448586188 /nfs/dbraw/zinc/58/61/88/448586188.db2.gz AZFQSRYLTIQGMQ-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000573278509 448586191 /nfs/dbraw/zinc/58/61/91/448586191.db2.gz AZFQSRYLTIQGMQ-HOTGVXAUSA-N 2 1 326.485 1.128 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000566922989 448586492 /nfs/dbraw/zinc/58/64/92/448586492.db2.gz BQJQGWYDPXZTQM-UHFFFAOYSA-N 2 1 346.519 1.547 20 0 EDADMP C[C@H](O)CN1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000517585923 448597743 /nfs/dbraw/zinc/59/77/43/448597743.db2.gz XQYARXBBIZKLMU-AOIWGVFYSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000517585923 448597745 /nfs/dbraw/zinc/59/77/45/448597745.db2.gz XQYARXBBIZKLMU-AOIWGVFYSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000517585923 448597747 /nfs/dbraw/zinc/59/77/47/448597747.db2.gz XQYARXBBIZKLMU-AOIWGVFYSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000517585923 448597749 /nfs/dbraw/zinc/59/77/49/448597749.db2.gz XQYARXBBIZKLMU-AOIWGVFYSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000517585923 448597751 /nfs/dbraw/zinc/59/77/51/448597751.db2.gz XQYARXBBIZKLMU-AOIWGVFYSA-N 2 1 345.487 1.422 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3nnc(C)[nH]3)CC2)CC1 ZINC000567177898 448631699 /nfs/dbraw/zinc/63/16/99/448631699.db2.gz QTDYYRMRDWKBCK-CYBMUJFWSA-N 2 1 348.495 1.487 20 0 EDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@]3(C)CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000573688501 448690851 /nfs/dbraw/zinc/69/08/51/448690851.db2.gz TVPTVUACHQYRLL-FCEWJHQRSA-N 2 1 337.508 1.866 20 0 EDADMP COC(=O)[C@@H]1C[NH+](C/C=C\C[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129767 448699894 /nfs/dbraw/zinc/69/98/94/448699894.db2.gz WATLWASSJVJSKE-YAYUBMGZSA-N 2 1 338.448 1.024 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C[N@H+]1C1CC1 ZINC000579086615 448710203 /nfs/dbraw/zinc/71/02/03/448710203.db2.gz FOPOIZRCDIGKSP-TZMCWYRMSA-N 2 1 342.443 1.012 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3CCCCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000573806086 448718691 /nfs/dbraw/zinc/71/86/91/448718691.db2.gz XPGWCCZYVKWUBH-INIZCTEOSA-N 2 1 331.464 1.711 20 0 EDADMP CN(C)C(=O)c1ccc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000567595882 448720495 /nfs/dbraw/zinc/72/04/95/448720495.db2.gz RBYUUELCGIMNFB-UHFFFAOYSA-N 2 1 332.448 1.388 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000567363612 448676661 /nfs/dbraw/zinc/67/66/61/448676661.db2.gz MWYDBLZWEYDHEW-QWHCGFSZSA-N 2 1 339.402 1.080 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000567363612 448676674 /nfs/dbraw/zinc/67/66/74/448676674.db2.gz MWYDBLZWEYDHEW-QWHCGFSZSA-N 2 1 339.402 1.080 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000567363612 448676680 /nfs/dbraw/zinc/67/66/80/448676680.db2.gz MWYDBLZWEYDHEW-QWHCGFSZSA-N 2 1 339.402 1.080 20 0 EDADMP COc1ccc(NC(=O)C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000567598849 448721683 /nfs/dbraw/zinc/72/16/83/448721683.db2.gz QCIVSQLCNPDJTL-YJBOKZPZSA-N 2 1 347.459 1.852 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000518979996 448728769 /nfs/dbraw/zinc/72/87/69/448728769.db2.gz YVHPFAGTXJMBNS-ARFHVFGLSA-N 2 1 348.491 1.255 20 0 EDADMP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CCC[NH+](CCOC)C1)c1ccccc1 ZINC000592313569 448787886 /nfs/dbraw/zinc/78/78/86/448787886.db2.gz SUOQQOVJWKVYBO-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CCC[NH+](CCOC)C1)c1ccccc1 ZINC000592313569 448787893 /nfs/dbraw/zinc/78/78/93/448787893.db2.gz SUOQQOVJWKVYBO-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CCOC)C1)c1ccccc1 ZINC000592313569 448787898 /nfs/dbraw/zinc/78/78/98/448787898.db2.gz SUOQQOVJWKVYBO-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCOC)C1)c1ccccc1 ZINC000592313569 448787903 /nfs/dbraw/zinc/78/79/03/448787903.db2.gz SUOQQOVJWKVYBO-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000574132811 448796549 /nfs/dbraw/zinc/79/65/49/448796549.db2.gz WPHABTRVCQTQDJ-AWEZNQCLSA-N 2 1 334.468 1.708 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000574132811 448796553 /nfs/dbraw/zinc/79/65/53/448796553.db2.gz WPHABTRVCQTQDJ-AWEZNQCLSA-N 2 1 334.468 1.708 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)CC1 ZINC000579470026 448801030 /nfs/dbraw/zinc/80/10/30/448801030.db2.gz YOIPVOJNTURNPI-WMZOPIPTSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000574269762 448832112 /nfs/dbraw/zinc/83/21/12/448832112.db2.gz SSPQYWRNIJKMQJ-AWEZNQCLSA-N 2 1 348.495 1.543 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000568191476 448832456 /nfs/dbraw/zinc/83/24/56/448832456.db2.gz JALRMPYWCIURQH-JKSUJKDBSA-N 2 1 341.521 1.041 20 0 EDADMP O=C(NCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cnccn1 ZINC000519824067 448853938 /nfs/dbraw/zinc/85/39/38/448853938.db2.gz QROWURJTXCNFMA-JKSUJKDBSA-N 2 1 325.416 1.289 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000574414882 448870778 /nfs/dbraw/zinc/87/07/78/448870778.db2.gz SJMFEOOBBFQHAU-WMZOPIPTSA-N 2 1 341.459 1.620 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000520314018 448882613 /nfs/dbraw/zinc/88/26/13/448882613.db2.gz BCWLEMQBOPHRSA-LJQANCHMSA-N 2 1 344.503 1.262 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000520314018 448882617 /nfs/dbraw/zinc/88/26/17/448882617.db2.gz BCWLEMQBOPHRSA-LJQANCHMSA-N 2 1 344.503 1.262 20 0 EDADMP Cn1ccnc1[C@H]1CC[N@@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000574581430 448908307 /nfs/dbraw/zinc/90/83/07/448908307.db2.gz KHOHNFTZCWHXMM-RYUDHWBXSA-N 2 1 330.354 1.763 20 0 EDADMP Cn1ccnc1[C@H]1CC[N@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000574581430 448908313 /nfs/dbraw/zinc/90/83/13/448908313.db2.gz KHOHNFTZCWHXMM-RYUDHWBXSA-N 2 1 330.354 1.763 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)Nc1cccc2c1CC[NH2+]C2 ZINC000568729040 448909331 /nfs/dbraw/zinc/90/93/31/448909331.db2.gz SFYMGODXDRHFND-HNNXBMFYSA-N 2 1 332.448 1.301 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)N(C)CCC[NH3+])CC[N@H+]2C2CC2)c1 ZINC000568730947 448911123 /nfs/dbraw/zinc/91/11/23/448911123.db2.gz YZZZGKXSAMIPGK-ROUUACIJSA-N 2 1 346.475 1.963 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[N@@H+](C2CCC2)C1 ZINC000574501750 448886125 /nfs/dbraw/zinc/88/61/25/448886125.db2.gz UTXJXRAHWHJSNN-AWEZNQCLSA-N 2 1 348.495 1.502 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[N@H+](C2CCC2)C1 ZINC000574501750 448886129 /nfs/dbraw/zinc/88/61/29/448886129.db2.gz UTXJXRAHWHJSNN-AWEZNQCLSA-N 2 1 348.495 1.502 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000568965602 448945041 /nfs/dbraw/zinc/94/50/41/448945041.db2.gz ZVWYQGNHMTVKPY-MSOLQXFVSA-N 2 1 344.459 1.022 20 0 EDADMP C[N@@H+](C[C@H](O)CN[C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000575039296 449019039 /nfs/dbraw/zinc/01/90/39/449019039.db2.gz DPIMPZXLFTVBSN-WOJBJXKFSA-N 2 1 346.519 1.020 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592956251 449076169 /nfs/dbraw/zinc/07/61/69/449076169.db2.gz FQOCXHFNAPGCEO-GJZGRUSLSA-N 2 1 347.507 1.960 20 0 EDADMP CN(CCC[NH3+])C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000575158431 449051272 /nfs/dbraw/zinc/05/12/72/449051272.db2.gz RTICSRYMCPZXQJ-INIZCTEOSA-N 2 1 336.505 1.594 20 0 EDADMP CN(CCC[NH3+])C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000575158431 449051275 /nfs/dbraw/zinc/05/12/75/449051275.db2.gz RTICSRYMCPZXQJ-INIZCTEOSA-N 2 1 336.505 1.594 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COC[C@@H]1CCCO1 ZINC000522192901 449062379 /nfs/dbraw/zinc/06/23/79/449062379.db2.gz ZAVUWCGDSUCTRR-SJORKVTESA-N 2 1 341.496 1.057 20 0 EDADMP C[N@H+](CCc1cccc(NC[C@H](O)CN2CC[NH+](C)CC2)c1)C1CC1 ZINC000575378760 449087040 /nfs/dbraw/zinc/08/70/40/449087040.db2.gz HCWNTYYKZGNVMG-FQEVSTJZSA-N 2 1 346.519 1.344 20 0 EDADMP C[N@@H+](CCc1cccc(NC[C@H](O)CN2CC[NH+](C)CC2)c1)C1CC1 ZINC000575378760 449087045 /nfs/dbraw/zinc/08/70/45/449087045.db2.gz HCWNTYYKZGNVMG-FQEVSTJZSA-N 2 1 346.519 1.344 20 0 EDADMP COC(=O)CCN1CCC[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1=O ZINC000595885921 449232139 /nfs/dbraw/zinc/23/21/39/449232139.db2.gz QIQQLTOGFDNDJR-JYJNAYRXSA-N 2 1 337.464 1.005 20 0 EDADMP COC(=O)CCN1CCC[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1=O ZINC000595885921 449232144 /nfs/dbraw/zinc/23/21/44/449232144.db2.gz QIQQLTOGFDNDJR-JYJNAYRXSA-N 2 1 337.464 1.005 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000595926989 449257784 /nfs/dbraw/zinc/25/77/84/449257784.db2.gz MTAWNRQKAHBFGJ-WMLDXEAASA-N 2 1 345.443 1.317 20 0 EDADMP CCn1ccnc1CN1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000600500615 449414191 /nfs/dbraw/zinc/41/41/91/449414191.db2.gz PMQVODMPHYWUSE-MRXNPFEDSA-N 2 1 333.480 1.422 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000614066442 449441433 /nfs/dbraw/zinc/44/14/33/449441433.db2.gz FREVQAPDQZWHQY-APWZRJJASA-N 2 1 337.508 1.556 20 0 EDADMP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000600711619 449510439 /nfs/dbraw/zinc/51/04/39/449510439.db2.gz SOZJULAKIKTAQC-CVEARBPZSA-N 2 1 333.432 1.139 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000606701962 449511201 /nfs/dbraw/zinc/51/12/01/449511201.db2.gz MNTSOZBLTPWZDM-GJZGRUSLSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[N@H+]1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000606701962 449511202 /nfs/dbraw/zinc/51/12/02/449511202.db2.gz MNTSOZBLTPWZDM-GJZGRUSLSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000607385033 449607219 /nfs/dbraw/zinc/60/72/19/449607219.db2.gz FBIFQPVBRQSPSR-RTBURBONSA-N 2 1 345.487 1.876 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000607385033 449607224 /nfs/dbraw/zinc/60/72/24/449607224.db2.gz FBIFQPVBRQSPSR-RTBURBONSA-N 2 1 345.487 1.876 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4oc(=O)n(C)c4c3)C2)CC1 ZINC000602462215 449607918 /nfs/dbraw/zinc/60/79/18/449607918.db2.gz AUOVXAQWZYGKFM-INIZCTEOSA-N 2 1 344.459 1.343 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c4c(nn3C)CCCC4)C2)CC1 ZINC000602481148 449623214 /nfs/dbraw/zinc/62/32/14/449623214.db2.gz FNYHWVMZMPSXDU-KRWDZBQOSA-N 2 1 345.535 1.899 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC000617504887 449649765 /nfs/dbraw/zinc/64/97/65/449649765.db2.gz NZUSFEKCIHJDAA-GJZGRUSLSA-N 2 1 340.512 1.070 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC000617504887 449649772 /nfs/dbraw/zinc/64/97/72/449649772.db2.gz NZUSFEKCIHJDAA-GJZGRUSLSA-N 2 1 340.512 1.070 20 0 EDADMP CC(C)Nc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000617507204 449656934 /nfs/dbraw/zinc/65/69/34/449656934.db2.gz MFVIVLZCZMTWPY-HNNXBMFYSA-N 2 1 335.496 1.904 20 0 EDADMP CC(C)Nc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000617507204 449656939 /nfs/dbraw/zinc/65/69/39/449656939.db2.gz MFVIVLZCZMTWPY-HNNXBMFYSA-N 2 1 335.496 1.904 20 0 EDADMP C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000617507755 449658765 /nfs/dbraw/zinc/65/87/65/449658765.db2.gz IJVWXVNYYXQLBW-LSDHHAIUSA-N 2 1 349.475 1.907 20 0 EDADMP C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000617507755 449658768 /nfs/dbraw/zinc/65/87/68/449658768.db2.gz IJVWXVNYYXQLBW-LSDHHAIUSA-N 2 1 349.475 1.907 20 0 EDADMP CCN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000617554666 449684447 /nfs/dbraw/zinc/68/44/47/449684447.db2.gz HKAJLEVIMQZGTO-LJQANCHMSA-N 2 1 344.503 1.751 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC000617502516 449647657 /nfs/dbraw/zinc/64/76/57/449647657.db2.gz RWSWEFTZCYSPGQ-UHOSZYNNSA-N 2 1 347.503 1.805 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC000617502516 449647660 /nfs/dbraw/zinc/64/76/60/449647660.db2.gz RWSWEFTZCYSPGQ-UHOSZYNNSA-N 2 1 347.503 1.805 20 0 EDADMP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000601145904 449713833 /nfs/dbraw/zinc/71/38/33/449713833.db2.gz VIZLRAOLBOZRCT-KBPBESRZSA-N 2 1 339.480 1.439 20 0 EDADMP CC(C)[C@@H](C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[NH+](C)C ZINC000617700446 449744530 /nfs/dbraw/zinc/74/45/30/449744530.db2.gz DZPINNLOHRVTIO-MSOLQXFVSA-N 2 1 333.476 1.456 20 0 EDADMP C[C@@H]1CN(CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)CO1 ZINC000617720312 449769425 /nfs/dbraw/zinc/76/94/25/449769425.db2.gz AWGYBBXNVXGZQM-ZIAGYGMSSA-N 2 1 329.404 1.106 20 0 EDADMP C[C@@H]1CCN(C(=O)CN2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000608488818 449854869 /nfs/dbraw/zinc/85/48/69/449854869.db2.gz UTBKBPRKHSTODJ-GOSISDBHSA-N 2 1 344.503 1.357 20 0 EDADMP C[C@@H]1CCN(C(=O)CN2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000608488818 449854878 /nfs/dbraw/zinc/85/48/78/449854878.db2.gz UTBKBPRKHSTODJ-GOSISDBHSA-N 2 1 344.503 1.357 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC([N@H+]3CCOC[C@@H]3C)CC1)C2 ZINC000615086456 449945606 /nfs/dbraw/zinc/94/56/06/449945606.db2.gz FKMICIOVXMREMD-HOCLYGCPSA-N 2 1 346.475 1.466 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC([N@@H+]3CCOC[C@@H]3C)CC1)C2 ZINC000615086456 449945610 /nfs/dbraw/zinc/94/56/10/449945610.db2.gz FKMICIOVXMREMD-HOCLYGCPSA-N 2 1 346.475 1.466 20 0 EDADMP C[C@]1(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000612877267 449922087 /nfs/dbraw/zinc/92/20/87/449922087.db2.gz RDAQALICLUQBPM-MJGOQNOKSA-N 2 1 330.476 1.950 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)CC[N@H+]1C ZINC000601436940 449959041 /nfs/dbraw/zinc/95/90/41/449959041.db2.gz MTDALZJEXJRBLD-XUWVNRHRSA-N 2 1 325.522 1.755 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N[C@H]2CC23CC[NH2+]CC3)[C@H]1c1ccccc1 ZINC000612975866 449967084 /nfs/dbraw/zinc/96/70/84/449967084.db2.gz OPLIPJAVIPIGIR-YESZJQIVSA-N 2 1 328.460 1.873 20 0 EDADMP CCn1ccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)n1 ZINC000618043687 449982297 /nfs/dbraw/zinc/98/22/97/449982297.db2.gz NLELEYNILSRVFT-UHFFFAOYSA-N 2 1 333.480 2.038 20 0 EDADMP COC(=O)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)nc1 ZINC000599449219 449984978 /nfs/dbraw/zinc/98/49/78/449984978.db2.gz NBFRKBWCRBTYTG-UHFFFAOYSA-N 2 1 348.491 1.716 20 0 EDADMP CCOC(=O)[C@]1(C)C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CCO1 ZINC000603005993 450001982 /nfs/dbraw/zinc/00/19/82/450001982.db2.gz UQCRGCXSIJXYQI-SFHVURJKSA-N 2 1 341.496 1.057 20 0 EDADMP CCOC(=O)[C@]1(C)C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CCO1 ZINC000603005993 450001985 /nfs/dbraw/zinc/00/19/85/450001985.db2.gz UQCRGCXSIJXYQI-SFHVURJKSA-N 2 1 341.496 1.057 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H]4COC[C@@]4(C)C3)CC2)CC1 ZINC000618702427 450276603 /nfs/dbraw/zinc/27/66/03/450276603.db2.gz RCKYRLABFRNMSP-YLJYHZDGSA-N 2 1 349.519 1.678 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H](C)N1CCOCC1 ZINC000625294255 450278497 /nfs/dbraw/zinc/27/84/97/450278497.db2.gz XIZBPRSIJHIVJA-PBWTXFEYSA-N 2 1 345.487 1.557 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000618663819 450267594 /nfs/dbraw/zinc/26/75/94/450267594.db2.gz MTWWVTFFFCNGNC-KRWDZBQOSA-N 2 1 336.524 1.537 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000618663819 450267598 /nfs/dbraw/zinc/26/75/98/450267598.db2.gz MTWWVTFFFCNGNC-KRWDZBQOSA-N 2 1 336.524 1.537 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000618663819 450267602 /nfs/dbraw/zinc/26/76/02/450267602.db2.gz MTWWVTFFFCNGNC-KRWDZBQOSA-N 2 1 336.524 1.537 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000625333809 450298142 /nfs/dbraw/zinc/29/81/42/450298142.db2.gz ODGQIPXCUUEVMB-NZSAHSFTSA-N 2 1 344.503 1.084 20 0 EDADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000625381788 450323203 /nfs/dbraw/zinc/32/32/03/450323203.db2.gz UXBCMAUOYNDQGQ-OTWHNJEPSA-N 2 1 327.472 1.932 20 0 EDADMP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000625381788 450323208 /nfs/dbraw/zinc/32/32/08/450323208.db2.gz UXBCMAUOYNDQGQ-OTWHNJEPSA-N 2 1 327.472 1.932 20 0 EDADMP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000625381788 450323212 /nfs/dbraw/zinc/32/32/12/450323212.db2.gz UXBCMAUOYNDQGQ-OTWHNJEPSA-N 2 1 327.472 1.932 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000619898513 450364226 /nfs/dbraw/zinc/36/42/26/450364226.db2.gz HHFXNNSKPJZIOC-GFCCVEGCSA-N 2 1 330.436 1.248 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000619898513 450364231 /nfs/dbraw/zinc/36/42/31/450364231.db2.gz HHFXNNSKPJZIOC-GFCCVEGCSA-N 2 1 330.436 1.248 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000619904868 450369893 /nfs/dbraw/zinc/36/98/93/450369893.db2.gz QYPVNIKDVMLHSA-JKSUJKDBSA-N 2 1 325.522 1.804 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619972809 450389509 /nfs/dbraw/zinc/38/95/09/450389509.db2.gz YJLNKJLUBBHYNO-BRWVUGGUSA-N 2 1 335.492 1.620 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619972809 450389512 /nfs/dbraw/zinc/38/95/12/450389512.db2.gz YJLNKJLUBBHYNO-BRWVUGGUSA-N 2 1 335.492 1.620 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000620725950 450534352 /nfs/dbraw/zinc/53/43/52/450534352.db2.gz AQWVNYCNKFVYJE-MJGOQNOKSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000620725950 450534355 /nfs/dbraw/zinc/53/43/55/450534355.db2.gz AQWVNYCNKFVYJE-MJGOQNOKSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000620725950 450534357 /nfs/dbraw/zinc/53/43/57/450534357.db2.gz AQWVNYCNKFVYJE-MJGOQNOKSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000620725950 450534360 /nfs/dbraw/zinc/53/43/60/450534360.db2.gz AQWVNYCNKFVYJE-MJGOQNOKSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000620725951 450535004 /nfs/dbraw/zinc/53/50/04/450535004.db2.gz AQWVNYCNKFVYJE-PKOBYXMFSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000620725951 450535006 /nfs/dbraw/zinc/53/50/06/450535006.db2.gz AQWVNYCNKFVYJE-PKOBYXMFSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000620725951 450535009 /nfs/dbraw/zinc/53/50/09/450535009.db2.gz AQWVNYCNKFVYJE-PKOBYXMFSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000620725951 450535012 /nfs/dbraw/zinc/53/50/12/450535012.db2.gz AQWVNYCNKFVYJE-PKOBYXMFSA-N 2 1 344.503 1.261 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)CC2 ZINC000620977390 450568086 /nfs/dbraw/zinc/56/80/86/450568086.db2.gz VRAFMFBDAQOQRX-RDJZCZTQSA-N 2 1 334.464 1.323 20 0 EDADMP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000621014823 450573426 /nfs/dbraw/zinc/57/34/26/450573426.db2.gz IVFORPKSRDRKNS-ZWKOTPCHSA-N 2 1 328.460 1.928 20 0 EDADMP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000621014823 450573428 /nfs/dbraw/zinc/57/34/28/450573428.db2.gz IVFORPKSRDRKNS-ZWKOTPCHSA-N 2 1 328.460 1.928 20 0 EDADMP C[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000635057376 450611809 /nfs/dbraw/zinc/61/18/09/450611809.db2.gz UWPYZGARTCZAEM-QUCCMNQESA-N 2 1 343.471 1.299 20 0 EDADMP C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000635057376 450611816 /nfs/dbraw/zinc/61/18/16/450611816.db2.gz UWPYZGARTCZAEM-QUCCMNQESA-N 2 1 343.471 1.299 20 0 EDADMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(OC)c1OC ZINC000631576001 450662754 /nfs/dbraw/zinc/66/27/54/450662754.db2.gz RKAYZSMFARXCSQ-MRXNPFEDSA-N 2 1 349.475 1.909 20 0 EDADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635148638 450695527 /nfs/dbraw/zinc/69/55/27/450695527.db2.gz HBYYISZVENNPEK-GOSISDBHSA-N 2 1 345.487 1.736 20 0 EDADMP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1cn([C@H]3CC[NH2+]C3)nn1)CC2 ZINC000629547065 450728408 /nfs/dbraw/zinc/72/84/08/450728408.db2.gz FAZAKDWWHKOXAN-HOCLYGCPSA-N 2 1 343.431 1.607 20 0 EDADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000624120835 450714939 /nfs/dbraw/zinc/71/49/39/450714939.db2.gz HYNHQXYQLYRUHK-GOSISDBHSA-N 2 1 338.540 1.105 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)Nc2cccc(C[NH+]3CC[C@@H](O)C3)c2)CC[N@H+]1C ZINC000633157455 450716013 /nfs/dbraw/zinc/71/60/13/450716013.db2.gz QWMDOPGJRPQCMC-FGTMMUONSA-N 2 1 331.460 1.922 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CC[NH+]1C ZINC000633157455 450716019 /nfs/dbraw/zinc/71/60/19/450716019.db2.gz QWMDOPGJRPQCMC-FGTMMUONSA-N 2 1 331.460 1.922 20 0 EDADMP Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)no1 ZINC000629561569 450736685 /nfs/dbraw/zinc/73/66/85/450736685.db2.gz JKRCUJWEFGTKNC-WDEREUQCSA-N 2 1 334.342 1.771 20 0 EDADMP Cc1cc(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)no1 ZINC000629561569 450736689 /nfs/dbraw/zinc/73/66/89/450736689.db2.gz JKRCUJWEFGTKNC-WDEREUQCSA-N 2 1 334.342 1.771 20 0 EDADMP C[C@H](c1ccncc1)N1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629571515 450742136 /nfs/dbraw/zinc/74/21/36/450742136.db2.gz VNSZRSYIDUEGNE-VQIMIIECSA-N 2 1 332.492 1.653 20 0 EDADMP O[C@@H](C[NH2+]CCOc1cccc(C(F)(F)F)n1)C[NH+]1CCCC1 ZINC000629574101 450743600 /nfs/dbraw/zinc/74/36/00/450743600.db2.gz HWIYCEQQAVCCIW-LBPRGKRZSA-N 2 1 333.354 1.526 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+](C)CCOCC[NH3+] ZINC000629579356 450747274 /nfs/dbraw/zinc/74/72/74/450747274.db2.gz KJEBIWSHKRQADJ-ZDUSSCGKSA-N 2 1 337.420 1.082 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+](C)CCOCC[NH3+] ZINC000629579356 450747281 /nfs/dbraw/zinc/74/72/81/450747281.db2.gz KJEBIWSHKRQADJ-ZDUSSCGKSA-N 2 1 337.420 1.082 20 0 EDADMP CN(CC(F)(F)F)C(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629590453 450753322 /nfs/dbraw/zinc/75/33/22/450753322.db2.gz BKPJFRIMGOWERW-CYBMUJFWSA-N 2 1 337.386 1.098 20 0 EDADMP Cn1nnc2cc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc21 ZINC000629657535 450773036 /nfs/dbraw/zinc/77/30/36/450773036.db2.gz ZBADTPUCMRCXID-NEPJUHHUSA-N 2 1 327.354 1.927 20 0 EDADMP Cn1nnc2cc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc21 ZINC000629657535 450773042 /nfs/dbraw/zinc/77/30/42/450773042.db2.gz ZBADTPUCMRCXID-NEPJUHHUSA-N 2 1 327.354 1.927 20 0 EDADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCOCCC[NH3+] ZINC000629679754 450779574 /nfs/dbraw/zinc/77/95/74/450779574.db2.gz NZZFWKHVZPTBDW-UHFFFAOYSA-N 2 1 334.869 1.589 20 0 EDADMP C[C@@H]1C[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC000631841716 450809863 /nfs/dbraw/zinc/80/98/63/450809863.db2.gz OTSREMDUPJTRHK-GDBMZVCRSA-N 2 1 327.432 1.015 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC000631841716 450809870 /nfs/dbraw/zinc/80/98/70/450809870.db2.gz OTSREMDUPJTRHK-GDBMZVCRSA-N 2 1 327.432 1.015 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000633370344 450822960 /nfs/dbraw/zinc/82/29/60/450822960.db2.gz CMCBDPNPCGJOBY-IAGOWNOFSA-N 2 1 338.496 1.221 20 0 EDADMP O=C(CC[NH+]1CCC([NH2+]CCO)CC1)N1CCc2sccc2C1 ZINC000631863826 450832821 /nfs/dbraw/zinc/83/28/21/450832821.db2.gz DFQVVZIVAQYKOO-UHFFFAOYSA-N 2 1 337.489 1.069 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@H+]1C ZINC000631910380 450869791 /nfs/dbraw/zinc/86/97/91/450869791.db2.gz DCGIQQWOTMVVTK-MLHJIOFPSA-N 2 1 337.508 1.601 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000635352909 450875381 /nfs/dbraw/zinc/87/53/81/450875381.db2.gz YQZLBINEHHQAPK-MSOLQXFVSA-N 2 1 344.459 1.025 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CC[C@H](O)C2)cc1)C(C)C ZINC000629913403 450881243 /nfs/dbraw/zinc/88/12/43/450881243.db2.gz YJQJMUHGDWMNFX-SFHVURJKSA-N 2 1 333.476 1.713 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1)C(C)C ZINC000629913403 450881248 /nfs/dbraw/zinc/88/12/48/450881248.db2.gz YJQJMUHGDWMNFX-SFHVURJKSA-N 2 1 333.476 1.713 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1)C(C)C ZINC000629913403 450881250 /nfs/dbraw/zinc/88/12/50/450881250.db2.gz YJQJMUHGDWMNFX-SFHVURJKSA-N 2 1 333.476 1.713 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C3(C[NH+](C)C)CC3)c2)CCO1 ZINC000635424060 450930437 /nfs/dbraw/zinc/93/04/37/450930437.db2.gz HLMKQARLGZJTRA-INIZCTEOSA-N 2 1 345.487 1.865 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C3(C[NH+](C)C)CC3)c2)CCO1 ZINC000635424060 450930442 /nfs/dbraw/zinc/93/04/42/450930442.db2.gz HLMKQARLGZJTRA-INIZCTEOSA-N 2 1 345.487 1.865 20 0 EDADMP C[NH+](CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CCC1 ZINC000629981475 450932217 /nfs/dbraw/zinc/93/22/17/450932217.db2.gz BJYVXRPZVZEZDQ-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000629981475 450932221 /nfs/dbraw/zinc/93/22/21/450932221.db2.gz BJYVXRPZVZEZDQ-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP C[NH+](Cc1cccnc1)C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000629981475 450932226 /nfs/dbraw/zinc/93/22/26/450932226.db2.gz BJYVXRPZVZEZDQ-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP COc1ccnc(OC)c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000633613972 450943207 /nfs/dbraw/zinc/94/32/07/450943207.db2.gz JPUFYEQZRTYWKU-ZDUSSCGKSA-N 2 1 338.452 1.101 20 0 EDADMP COc1ccnc(OC)c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000633613972 450943211 /nfs/dbraw/zinc/94/32/11/450943211.db2.gz JPUFYEQZRTYWKU-ZDUSSCGKSA-N 2 1 338.452 1.101 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626966470 451039413 /nfs/dbraw/zinc/03/94/13/451039413.db2.gz VRAUJANPDQDGDJ-RDJZCZTQSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000626996865 451062513 /nfs/dbraw/zinc/06/25/13/451062513.db2.gz HGIVZZXXKBGCAU-NRWUCQMLSA-N 2 1 348.413 1.780 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627001727 451066792 /nfs/dbraw/zinc/06/67/92/451066792.db2.gz KZJYYKACICMBNH-HNNXBMFYSA-N 2 1 326.485 1.162 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH+](CCCF)CC1 ZINC000627957248 451050330 /nfs/dbraw/zinc/05/03/30/451050330.db2.gz SFBHXGHTXXLQPO-GOSISDBHSA-N 2 1 348.466 1.797 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[NH+](CCCF)CC1 ZINC000627957248 451050356 /nfs/dbraw/zinc/05/03/56/451050356.db2.gz SFBHXGHTXXLQPO-GOSISDBHSA-N 2 1 348.466 1.797 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000627116805 451133095 /nfs/dbraw/zinc/13/30/95/451133095.db2.gz NNHUEBLNBMSIGR-DLBZAZTESA-N 2 1 338.496 1.271 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000622534433 451165142 /nfs/dbraw/zinc/16/51/42/451165142.db2.gz FUELWJICGTYUGA-QGZVFWFLSA-N 2 1 327.432 1.567 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000622534433 451165149 /nfs/dbraw/zinc/16/51/49/451165149.db2.gz FUELWJICGTYUGA-QGZVFWFLSA-N 2 1 327.432 1.567 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000627177121 451167537 /nfs/dbraw/zinc/16/75/37/451167537.db2.gz DXIUZTAJOOKDKL-UHFFFAOYSA-N 2 1 348.491 1.528 20 0 EDADMP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3C)nc2)C1 ZINC000635720498 451197466 /nfs/dbraw/zinc/19/74/66/451197466.db2.gz VCTVOUIRMLOKII-HOTGVXAUSA-N 2 1 331.464 1.645 20 0 EDADMP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3C)nc2)C1 ZINC000635720498 451197471 /nfs/dbraw/zinc/19/74/71/451197471.db2.gz VCTVOUIRMLOKII-HOTGVXAUSA-N 2 1 331.464 1.645 20 0 EDADMP C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cnc(CN)nc1 ZINC000638112919 451281448 /nfs/dbraw/zinc/28/14/48/451281448.db2.gz XBPUQDDCZPONQN-AWEZNQCLSA-N 2 1 325.416 1.282 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638115010 451283610 /nfs/dbraw/zinc/28/36/10/451283610.db2.gz FGNPIONTZPBZCK-RTBURBONSA-N 2 1 346.519 1.826 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638115010 451283615 /nfs/dbraw/zinc/28/36/15/451283615.db2.gz FGNPIONTZPBZCK-RTBURBONSA-N 2 1 346.519 1.826 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638115010 451283620 /nfs/dbraw/zinc/28/36/20/451283620.db2.gz FGNPIONTZPBZCK-RTBURBONSA-N 2 1 346.519 1.826 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)c2cnc(C[NH3+])nc2)[C@H]1c1cccs1 ZINC000638121694 451292134 /nfs/dbraw/zinc/29/21/34/451292134.db2.gz GOWQAFIMHSUDAD-WBMJQRKESA-N 2 1 345.472 1.810 20 0 EDADMP COc1cccc(CN(CC[NH+](C)C)C(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000635847409 451295453 /nfs/dbraw/zinc/29/54/53/451295453.db2.gz XGSXHWGIRFCVBE-KRWDZBQOSA-N 2 1 333.476 1.927 20 0 EDADMP CC(C)[C@H]1CN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2C)CC[NH+]1C ZINC000634323325 451298817 /nfs/dbraw/zinc/29/88/17/451298817.db2.gz GCKWTUUFSWOGLC-OAGGEKHMSA-N 2 1 348.495 1.127 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000638129260 451300244 /nfs/dbraw/zinc/30/02/44/451300244.db2.gz XZUAVLTZCLBDEK-SUMDDJOVSA-N 2 1 331.460 1.521 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000638129259 451300900 /nfs/dbraw/zinc/30/09/00/451300900.db2.gz XZUAVLTZCLBDEK-HHXXYDBFSA-N 2 1 331.460 1.521 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638137757 451312568 /nfs/dbraw/zinc/31/25/68/451312568.db2.gz NFOSBYKQHSVTGU-UHFFFAOYSA-N 2 1 344.503 1.019 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCCN(c3cc[nH+]cc3)CC1)C2 ZINC000640443548 451319734 /nfs/dbraw/zinc/31/97/34/451319734.db2.gz OPTUSASZAABRBT-MRXNPFEDSA-N 2 1 339.443 1.888 20 0 EDADMP C[C@@H]1CN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000638158070 451328569 /nfs/dbraw/zinc/32/85/69/451328569.db2.gz OLKGZMIIDWAKTQ-SJORKVTESA-N 3 1 344.503 1.579 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000638166457 451332469 /nfs/dbraw/zinc/33/24/69/451332469.db2.gz XCEUXJQCTMCHJE-XSLAGTTESA-N 2 1 330.476 1.032 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000638166457 451332473 /nfs/dbraw/zinc/33/24/73/451332473.db2.gz XCEUXJQCTMCHJE-XSLAGTTESA-N 2 1 330.476 1.032 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000640520340 451370288 /nfs/dbraw/zinc/37/02/88/451370288.db2.gz QEWMAMARPUSSLP-QLFBSQMISA-N 2 1 325.497 1.769 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635928379 451371936 /nfs/dbraw/zinc/37/19/36/451371936.db2.gz FMYOPRZFZZAXOB-ILZDJORESA-N 2 1 345.487 1.591 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630747830 451382188 /nfs/dbraw/zinc/38/21/88/451382188.db2.gz WXPIMZMERXYRKM-INIZCTEOSA-N 2 1 335.496 1.829 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3C[NH+]4CCN3CCC4)C2)cc1 ZINC000634457075 451346748 /nfs/dbraw/zinc/34/67/48/451346748.db2.gz QPHMHSVZJQVQMH-RTBURBONSA-N 2 1 342.487 1.075 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)cc1 ZINC000634457075 451346752 /nfs/dbraw/zinc/34/67/52/451346752.db2.gz QPHMHSVZJQVQMH-RTBURBONSA-N 2 1 342.487 1.075 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)cc1 ZINC000634457075 451346756 /nfs/dbraw/zinc/34/67/56/451346756.db2.gz QPHMHSVZJQVQMH-RTBURBONSA-N 2 1 342.487 1.075 20 0 EDADMP O=C(N[C@@H]1Cc2cncn2C1)NC1CCN(Cc2ccncc2)CC1 ZINC000636607941 451347235 /nfs/dbraw/zinc/34/72/35/451347235.db2.gz ACTWIRMXWUPNSO-MRXNPFEDSA-N 2 1 340.431 1.167 20 0 EDADMP C[N@@H+]1CCCC[C@@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000628749989 451397182 /nfs/dbraw/zinc/39/71/82/451397182.db2.gz KZKHEYBFECWPLN-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP C[N@H+]1CCCC[C@@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000628749989 451397190 /nfs/dbraw/zinc/39/71/90/451397190.db2.gz KZKHEYBFECWPLN-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000628749989 451397197 /nfs/dbraw/zinc/39/71/97/451397197.db2.gz KZKHEYBFECWPLN-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000628749989 451397202 /nfs/dbraw/zinc/39/72/02/451397202.db2.gz KZKHEYBFECWPLN-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)CC[NH+]1C ZINC000630937857 451495628 /nfs/dbraw/zinc/49/56/28/451495628.db2.gz CXNBRWWLCCHYSI-DLBZAZTESA-N 2 1 333.480 1.185 20 0 EDADMP CO[C@]1(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CCOC1 ZINC000638355637 451456865 /nfs/dbraw/zinc/45/68/65/451456865.db2.gz OZWNQSVIBFQZJG-PMACEKPBSA-N 2 1 347.503 1.760 20 0 EDADMP CC[N@@H+](CCCNC(=O)[C@@]1(C[NH3+])CCCOC1)C1CCCCC1 ZINC000638383980 451476838 /nfs/dbraw/zinc/47/68/38/451476838.db2.gz QJAUTWMGVHQMAI-GOSISDBHSA-N 2 1 325.497 1.903 20 0 EDADMP CC[N@@H+](CCCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1)C1CCCCC1 ZINC000638384905 451477815 /nfs/dbraw/zinc/47/78/15/451477815.db2.gz DWEVWYKJASISRV-FUHWJXTLSA-N 2 1 325.497 1.914 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCCN(Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC000630937857 451495612 /nfs/dbraw/zinc/49/56/12/451495612.db2.gz CXNBRWWLCCHYSI-DLBZAZTESA-N 2 1 333.480 1.185 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000630937857 451495616 /nfs/dbraw/zinc/49/56/16/451495616.db2.gz CXNBRWWLCCHYSI-DLBZAZTESA-N 2 1 333.480 1.185 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC000630937857 451495621 /nfs/dbraw/zinc/49/56/21/451495621.db2.gz CXNBRWWLCCHYSI-DLBZAZTESA-N 2 1 333.480 1.185 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)CC[NH+]1C ZINC000630937857 451495624 /nfs/dbraw/zinc/49/56/24/451495624.db2.gz CXNBRWWLCCHYSI-DLBZAZTESA-N 2 1 333.480 1.185 20 0 EDADMP OCC[C@]1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000634721140 451502189 /nfs/dbraw/zinc/50/21/89/451502189.db2.gz UKWQAIMHDCJZOC-RTBURBONSA-N 2 1 334.460 1.002 20 0 EDADMP OCC[C@]1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000634721140 451502195 /nfs/dbraw/zinc/50/21/95/451502195.db2.gz UKWQAIMHDCJZOC-RTBURBONSA-N 2 1 334.460 1.002 20 0 EDADMP C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638432997 451511707 /nfs/dbraw/zinc/51/17/07/451511707.db2.gz PKKRWFKBTSUXAW-KVSKMBFKSA-N 2 1 331.460 1.249 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000638409376 451495767 /nfs/dbraw/zinc/49/57/67/451495767.db2.gz KRHLAMOLONATKU-AWEZNQCLSA-N 2 1 331.526 1.558 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)[C@]12CCCO2 ZINC000638618500 451611945 /nfs/dbraw/zinc/61/19/45/451611945.db2.gz IFVOPDPVCOLSOH-BRSBDYLESA-N 2 1 326.481 1.540 20 0 EDADMP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000638618177 451611955 /nfs/dbraw/zinc/61/19/55/451611955.db2.gz LKERQKJBXXVHGT-WBVHZDCISA-N 2 1 335.423 1.142 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636227963 451605275 /nfs/dbraw/zinc/60/52/75/451605275.db2.gz ZVMDWHBXRFJJDL-RCCFBDPRSA-N 2 1 347.503 1.763 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636227963 451605279 /nfs/dbraw/zinc/60/52/79/451605279.db2.gz ZVMDWHBXRFJJDL-RCCFBDPRSA-N 2 1 347.503 1.763 20 0 EDADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCNC(=O)CC2)c2cccs2)CC1 ZINC000634949542 451619463 /nfs/dbraw/zinc/61/94/63/451619463.db2.gz UEUKQCSTTLGPLB-HUUCEWRRSA-N 2 1 336.505 1.295 20 0 EDADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(N)nc2N)[C@@H]1c1cccs1 ZINC000638671751 451642925 /nfs/dbraw/zinc/64/29/25/451642925.db2.gz TYCAEJOGNMFTJD-SMDDNHRTSA-N 2 1 332.477 1.536 20 0 EDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(N)nc2N)[C@@H]1c1cccs1 ZINC000638671751 451642931 /nfs/dbraw/zinc/64/29/31/451642931.db2.gz TYCAEJOGNMFTJD-SMDDNHRTSA-N 2 1 332.477 1.536 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(CCCOc3ccccc3)nn2)CC1 ZINC000640859739 451645526 /nfs/dbraw/zinc/64/55/26/451645526.db2.gz REPQXKJOIUJANF-UHFFFAOYSA-N 2 1 329.448 1.713 20 0 EDADMP C[NH+]1CCC(O)(C[NH2+]Cc2nnn(-c3ccccc3)c2C2CC2)CC1 ZINC000638681506 451650654 /nfs/dbraw/zinc/65/06/54/451650654.db2.gz JPVWXSCOLWPASH-UHFFFAOYSA-N 2 1 341.459 1.691 20 0 EDADMP COc1c(C)cnc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1C ZINC000640954416 451703397 /nfs/dbraw/zinc/70/33/97/451703397.db2.gz FYJDDVGKRKYQKD-UHFFFAOYSA-N 2 1 344.463 1.312 20 0 EDADMP Cc1ccc(S(N)(=O)=O)c(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000631352378 451706301 /nfs/dbraw/zinc/70/63/01/451706301.db2.gz XBSVPZRGIMYWOC-AWEZNQCLSA-N 2 1 342.509 1.326 20 0 EDADMP Cc1ccc(S(N)(=O)=O)c(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000631352378 451706302 /nfs/dbraw/zinc/70/63/02/451706302.db2.gz XBSVPZRGIMYWOC-AWEZNQCLSA-N 2 1 342.509 1.326 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852688 451711401 /nfs/dbraw/zinc/71/14/01/451711401.db2.gz ZSPFWXSQHGPSAJ-QRVBRYPASA-N 2 1 345.487 1.911 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000637117906 451730293 /nfs/dbraw/zinc/73/02/93/451730293.db2.gz DVCMVIWEKGSFHR-SJORKVTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000637117906 451730294 /nfs/dbraw/zinc/73/02/94/451730294.db2.gz DVCMVIWEKGSFHR-SJORKVTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000637117906 451730298 /nfs/dbraw/zinc/73/02/98/451730298.db2.gz DVCMVIWEKGSFHR-SJORKVTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925460 451737798 /nfs/dbraw/zinc/73/77/98/451737798.db2.gz MZUXRONQXVCSRT-BBWFWOEESA-N 2 1 331.485 1.739 20 0 EDADMP CO[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCOCC1 ZINC000638977465 451744726 /nfs/dbraw/zinc/74/47/26/451744726.db2.gz SPEPWIUKCRUBLR-PMACEKPBSA-N 2 1 348.487 1.784 20 0 EDADMP CO[C@@]1(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCOC1 ZINC000639074875 451761722 /nfs/dbraw/zinc/76/17/22/451761722.db2.gz DBJZFLLPIDNNCY-RBUKOAKNSA-N 2 1 334.460 1.361 20 0 EDADMP CO[C@@]1(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCOC1 ZINC000639074875 451761723 /nfs/dbraw/zinc/76/17/23/451761723.db2.gz DBJZFLLPIDNNCY-RBUKOAKNSA-N 2 1 334.460 1.361 20 0 EDADMP CO[C@@]1(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000639074875 451761724 /nfs/dbraw/zinc/76/17/24/451761724.db2.gz DBJZFLLPIDNNCY-RBUKOAKNSA-N 2 1 334.460 1.361 20 0 EDADMP CO[C@@]1(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000639074875 451761725 /nfs/dbraw/zinc/76/17/25/451761725.db2.gz DBJZFLLPIDNNCY-RBUKOAKNSA-N 2 1 334.460 1.361 20 0 EDADMP CO[C@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCOC1 ZINC000639105762 451768786 /nfs/dbraw/zinc/76/87/86/451768786.db2.gz QWGXTXCKHAXIMA-XUVXKRRUSA-N 2 1 348.487 1.919 20 0 EDADMP CO[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCOC1 ZINC000639105762 451768788 /nfs/dbraw/zinc/76/87/88/451768788.db2.gz QWGXTXCKHAXIMA-XUVXKRRUSA-N 2 1 348.487 1.919 20 0 EDADMP CO[C@@]1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCOC1 ZINC000639107291 451769035 /nfs/dbraw/zinc/76/90/35/451769035.db2.gz ZLVRPJOYAQVTSI-RBUKOAKNSA-N 2 1 334.460 1.673 20 0 EDADMP CO[C@@]1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCOC1 ZINC000639107291 451769037 /nfs/dbraw/zinc/76/90/37/451769037.db2.gz ZLVRPJOYAQVTSI-RBUKOAKNSA-N 2 1 334.460 1.673 20 0 EDADMP CC(C)[C@H]1CN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC[N@H+]1C ZINC000637263141 451773397 /nfs/dbraw/zinc/77/33/97/451773397.db2.gz FHNPQKYRHHKVDJ-DLBZAZTESA-N 3 1 341.544 1.240 20 0 EDADMP CN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000641215651 451785114 /nfs/dbraw/zinc/78/51/14/451785114.db2.gz CPWMXSZYGZRENI-UXLLHSPISA-N 2 1 337.512 1.066 20 0 EDADMP CN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000641215651 451785117 /nfs/dbraw/zinc/78/51/17/451785117.db2.gz CPWMXSZYGZRENI-UXLLHSPISA-N 2 1 337.512 1.066 20 0 EDADMP COCCN1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000637370507 451802447 /nfs/dbraw/zinc/80/24/47/451802447.db2.gz QJHWXIASSLZHDQ-KRWDZBQOSA-N 2 1 338.496 1.367 20 0 EDADMP COCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000637370507 451802453 /nfs/dbraw/zinc/80/24/53/451802453.db2.gz QJHWXIASSLZHDQ-KRWDZBQOSA-N 2 1 338.496 1.367 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000641997537 451803346 /nfs/dbraw/zinc/80/33/46/451803346.db2.gz LDOTTYXAJDXTFA-HNNXBMFYSA-N 2 1 327.517 1.040 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000641997537 451803348 /nfs/dbraw/zinc/80/33/48/451803348.db2.gz LDOTTYXAJDXTFA-HNNXBMFYSA-N 2 1 327.517 1.040 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000641997537 451803351 /nfs/dbraw/zinc/80/33/51/451803351.db2.gz LDOTTYXAJDXTFA-HNNXBMFYSA-N 2 1 327.517 1.040 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccn(C(F)F)c1=O)CCO2 ZINC000639285904 451807713 /nfs/dbraw/zinc/80/77/13/451807713.db2.gz LNBQFSHIHIYELF-UHFFFAOYSA-N 2 1 327.375 1.540 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccn(C(F)F)c1=O)CCO2 ZINC000639285904 451807717 /nfs/dbraw/zinc/80/77/17/451807717.db2.gz LNBQFSHIHIYELF-UHFFFAOYSA-N 2 1 327.375 1.540 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000644567349 451866069 /nfs/dbraw/zinc/86/60/69/451866069.db2.gz VSXVQEVRKIXNMB-GBESFXJTSA-N 2 1 347.503 1.716 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000644567349 451866075 /nfs/dbraw/zinc/86/60/75/451866075.db2.gz VSXVQEVRKIXNMB-GBESFXJTSA-N 2 1 347.503 1.716 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC[C@@H](O)C[NH+](C)Cc2ccccc2)CCCO1 ZINC000644632256 451906644 /nfs/dbraw/zinc/90/66/44/451906644.db2.gz HTSUYNSPAFDDHC-AZUAARDMSA-N 2 1 349.519 1.570 20 0 EDADMP C[C@H]1C[NH+](CCCNC[C@@H](O)C[N@H+](C)Cc2ccccc2)CCCO1 ZINC000644632256 451906652 /nfs/dbraw/zinc/90/66/52/451906652.db2.gz HTSUYNSPAFDDHC-AZUAARDMSA-N 2 1 349.519 1.570 20 0 EDADMP C[C@H]1C[NH+](CCCNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)CCCO1 ZINC000644632256 451906656 /nfs/dbraw/zinc/90/66/56/451906656.db2.gz HTSUYNSPAFDDHC-AZUAARDMSA-N 2 1 349.519 1.570 20 0 EDADMP O[C@]1(CN2CC[C@@](O)(C(F)(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639515802 451917964 /nfs/dbraw/zinc/91/79/64/451917964.db2.gz YHHUWSSAYNJTNX-CVEARBPZSA-N 2 1 344.377 1.623 20 0 EDADMP O=C([C@H]1C[NH2+]CCOC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000649283591 451955493 /nfs/dbraw/zinc/95/54/93/451955493.db2.gz OHNRWNZWBBOKNL-INIZCTEOSA-N 2 1 335.423 1.096 20 0 EDADMP O=C([C@H]1C[NH2+]CCOC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000649283591 451955495 /nfs/dbraw/zinc/95/54/95/451955495.db2.gz OHNRWNZWBBOKNL-INIZCTEOSA-N 2 1 335.423 1.096 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@]1(COC)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000649285059 451959399 /nfs/dbraw/zinc/95/93/99/451959399.db2.gz ZCTLPEQMXLVQTE-FUHWJXTLSA-N 2 1 341.496 1.008 20 0 EDADMP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[NH+](CCc2cccs2)CC1 ZINC000649296404 451973529 /nfs/dbraw/zinc/97/35/29/451973529.db2.gz AONKQWJAHFGPSS-AWEZNQCLSA-N 2 1 343.443 1.680 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000649296303 451973581 /nfs/dbraw/zinc/97/35/81/451973581.db2.gz ZPBCLYFDCDXPHR-RBUKOAKNSA-N 2 1 338.540 1.198 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CCO[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000649296303 451973593 /nfs/dbraw/zinc/97/35/93/451973593.db2.gz ZPBCLYFDCDXPHR-RBUKOAKNSA-N 2 1 338.540 1.198 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCO[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000649296303 451973596 /nfs/dbraw/zinc/97/35/96/451973596.db2.gz ZPBCLYFDCDXPHR-RBUKOAKNSA-N 2 1 338.540 1.198 20 0 EDADMP COC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649305095 451982316 /nfs/dbraw/zinc/98/23/16/451982316.db2.gz CVMICXFENDASER-AZUAARDMSA-N 2 1 345.487 1.783 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649310520 451988175 /nfs/dbraw/zinc/98/81/75/451988175.db2.gz QCZFWSBEAGSGGU-HUUCEWRRSA-N 2 1 334.468 1.197 20 0 EDADMP C[NH+]1CCN([C@H](C(=O)N2CCC(C)([NH3+])CC2)c2ccccc2)CC1 ZINC000646993356 451992597 /nfs/dbraw/zinc/99/25/97/451992597.db2.gz SLDMICDZPCJAOP-KRWDZBQOSA-N 2 1 330.476 1.315 20 0 EDADMP CC(C)(CO)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000649313857 451992553 /nfs/dbraw/zinc/99/25/53/451992553.db2.gz HKEWBEYCTYHWHA-KRWDZBQOSA-N 2 1 337.508 1.699 20 0 EDADMP CC(C)(CO)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000649313857 451992561 /nfs/dbraw/zinc/99/25/61/451992561.db2.gz HKEWBEYCTYHWHA-KRWDZBQOSA-N 2 1 337.508 1.699 20 0 EDADMP Cc1cncc(CCC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000644795711 451994249 /nfs/dbraw/zinc/99/42/49/451994249.db2.gz ANDVRFLYESCYMK-QGZVFWFLSA-N 2 1 330.476 1.607 20 0 EDADMP Cc1cncc(CCC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000644795711 451994255 /nfs/dbraw/zinc/99/42/55/451994255.db2.gz ANDVRFLYESCYMK-QGZVFWFLSA-N 2 1 330.476 1.607 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000649334091 452014745 /nfs/dbraw/zinc/01/47/45/452014745.db2.gz IAKCHHCYOCNDAH-KRWDZBQOSA-N 2 1 344.503 1.347 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000649334091 452014748 /nfs/dbraw/zinc/01/47/48/452014748.db2.gz IAKCHHCYOCNDAH-KRWDZBQOSA-N 2 1 344.503 1.347 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682195 452020972 /nfs/dbraw/zinc/02/09/72/452020972.db2.gz MMDCGCKEVWPXCK-RDJZCZTQSA-N 2 1 332.448 1.277 20 0 EDADMP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682195 452020977 /nfs/dbraw/zinc/02/09/77/452020977.db2.gz MMDCGCKEVWPXCK-RDJZCZTQSA-N 2 1 332.448 1.277 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000649344982 452027099 /nfs/dbraw/zinc/02/70/99/452027099.db2.gz BKXXLTOHFZJZRT-ZDUSSCGKSA-N 2 1 328.416 1.736 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@](C)([NH3+])c3ccccc3)CC2)C1 ZINC000649352629 452036776 /nfs/dbraw/zinc/03/67/76/452036776.db2.gz AXFOJUBHPBDJIN-MJGOQNOKSA-N 2 1 330.476 1.099 20 0 EDADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000647093028 452055522 /nfs/dbraw/zinc/05/55/22/452055522.db2.gz AKIXKJDZSJCQJS-CJNGLKHVSA-N 2 1 331.464 1.337 20 0 EDADMP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649417786 452079263 /nfs/dbraw/zinc/07/92/63/452079263.db2.gz GZVRWKKOUYCIOE-IRXDYDNUSA-N 2 1 333.480 1.090 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc(C)n1 ZINC000643231566 452084659 /nfs/dbraw/zinc/08/46/59/452084659.db2.gz BQDQZSIRDUDRPB-QGZVFWFLSA-N 2 1 345.491 1.666 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc(C)n1 ZINC000643231566 452084666 /nfs/dbraw/zinc/08/46/66/452084666.db2.gz BQDQZSIRDUDRPB-QGZVFWFLSA-N 2 1 345.491 1.666 20 0 EDADMP C[N@H+](CC(=O)N1CCCC1)Cc1cccc(CN2CCOCC2)c1 ZINC000643249379 452094127 /nfs/dbraw/zinc/09/41/27/452094127.db2.gz GDNRAEABWVOZGB-UHFFFAOYSA-N 2 1 331.460 1.573 20 0 EDADMP C[N@@H+](CC(=O)N1CCCC1)Cc1cccc(CN2CCOCC2)c1 ZINC000643249379 452094129 /nfs/dbraw/zinc/09/41/29/452094129.db2.gz GDNRAEABWVOZGB-UHFFFAOYSA-N 2 1 331.460 1.573 20 0 EDADMP Cc1csc2nc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)cc(=O)n12 ZINC000639756771 452095985 /nfs/dbraw/zinc/09/59/85/452095985.db2.gz COJNIBSKIQILMF-UHFFFAOYSA-N 2 1 332.473 1.982 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC3(CC3(F)F)CC2)C1=O ZINC000649482332 452104028 /nfs/dbraw/zinc/10/40/28/452104028.db2.gz IUCYZDXLEJPMLR-LBPRGKRZSA-N 2 1 329.391 1.187 20 0 EDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647182373 452110096 /nfs/dbraw/zinc/11/00/96/452110096.db2.gz YTCZFHPDGZYRTQ-QGZVFWFLSA-N 2 1 329.448 1.594 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647182372 452111052 /nfs/dbraw/zinc/11/10/52/452111052.db2.gz YTCZFHPDGZYRTQ-KRWDZBQOSA-N 2 1 329.448 1.594 20 0 EDADMP COCCCN(C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637956962 452203171 /nfs/dbraw/zinc/20/31/71/452203171.db2.gz CNJBDYYWIAJODB-UHFFFAOYSA-N 2 1 333.476 1.865 20 0 EDADMP C[NH+](C)C[C@H]1COC2(CCCC2)CN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000639876990 452212978 /nfs/dbraw/zinc/21/29/78/452212978.db2.gz GXYDWKHZUIGKIY-OKZBNKHCSA-N 2 1 337.508 1.425 20 0 EDADMP C[NH+](C)C[C@H]1COC2(CCCC2)CN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000639876990 452212982 /nfs/dbraw/zinc/21/29/82/452212982.db2.gz GXYDWKHZUIGKIY-OKZBNKHCSA-N 2 1 337.508 1.425 20 0 EDADMP CC[C@H](O)CCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637969836 452216779 /nfs/dbraw/zinc/21/67/79/452216779.db2.gz CPVIZXLWMHIGQQ-KRWDZBQOSA-N 2 1 333.476 1.647 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654104756 452247880 /nfs/dbraw/zinc/24/78/80/452247880.db2.gz VLAKOVXJRRPGIY-HUUCEWRRSA-N 2 1 334.468 1.583 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000647529464 452263472 /nfs/dbraw/zinc/26/34/72/452263472.db2.gz HAFVBTHCZXRUMS-UYAOXDASSA-N 2 1 346.446 1.984 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000647529464 452263480 /nfs/dbraw/zinc/26/34/80/452263480.db2.gz HAFVBTHCZXRUMS-UYAOXDASSA-N 2 1 346.446 1.984 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000659425588 452266677 /nfs/dbraw/zinc/26/66/77/452266677.db2.gz NNDSUGHAKRDYBO-UHFFFAOYSA-N 2 1 326.485 1.400 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2nsc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000641795969 452273230 /nfs/dbraw/zinc/27/32/30/452273230.db2.gz CDDZMHUMBIZWFV-AWEZNQCLSA-N 2 1 344.484 1.940 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544222 452275185 /nfs/dbraw/zinc/27/51/85/452275185.db2.gz YIJHCFCPKZZBKY-HZPDHXFCSA-N 2 1 341.455 1.994 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000659431734 452276758 /nfs/dbraw/zinc/27/67/58/452276758.db2.gz XHWXAZLZSIGZFM-SOUVJXGZSA-N 2 1 328.501 1.547 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000641802256 452277644 /nfs/dbraw/zinc/27/76/44/452277644.db2.gz IMAAHTPUWBPRLE-DJIMGWMZSA-N 2 1 330.476 1.345 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000641803510 452280433 /nfs/dbraw/zinc/28/04/33/452280433.db2.gz GFHZBJFCIKTAGX-IRXDYDNUSA-N 2 1 341.459 1.246 20 0 EDADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H](Cc2ccccc2)C1 ZINC000655486213 452281835 /nfs/dbraw/zinc/28/18/35/452281835.db2.gz POMJYXVFRLKVAN-HBFSDRIKSA-N 2 1 327.472 1.761 20 0 EDADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H](Cc2ccccc2)C1 ZINC000655486213 452281841 /nfs/dbraw/zinc/28/18/41/452281841.db2.gz POMJYXVFRLKVAN-HBFSDRIKSA-N 2 1 327.472 1.761 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@@H]1[NH3+] ZINC000641808992 452287992 /nfs/dbraw/zinc/28/79/92/452287992.db2.gz VJXORBWKSMXFJM-JKSUJKDBSA-N 2 1 327.432 1.204 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000659440639 452289078 /nfs/dbraw/zinc/28/90/78/452289078.db2.gz WGERELNHSRRQGL-UHFFFAOYSA-N 2 1 334.464 1.398 20 0 EDADMP C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000641814531 452296046 /nfs/dbraw/zinc/29/60/46/452296046.db2.gz MLFHWVLHSRMQBJ-HZPDHXFCSA-N 2 1 338.496 1.100 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCCC2)[C@@H](C)C1 ZINC000659456662 452307215 /nfs/dbraw/zinc/30/72/15/452307215.db2.gz QCFJYSXSKSUTNC-HOTGVXAUSA-N 2 1 340.512 1.694 20 0 EDADMP COC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665757716 452323397 /nfs/dbraw/zinc/32/33/97/452323397.db2.gz UJBUIHHYPJXGIU-HOTGVXAUSA-N 2 1 328.501 1.326 20 0 EDADMP COC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665757716 452323402 /nfs/dbraw/zinc/32/34/02/452323402.db2.gz UJBUIHHYPJXGIU-HOTGVXAUSA-N 2 1 328.501 1.326 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000661515323 452324633 /nfs/dbraw/zinc/32/46/33/452324633.db2.gz RBMRLDBLEOTHEE-CVEARBPZSA-N 2 1 338.496 1.412 20 0 EDADMP CCC1(CO)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665760215 452330677 /nfs/dbraw/zinc/33/06/77/452330677.db2.gz CHHDNYZSFRZBAD-INIZCTEOSA-N 2 1 342.528 1.453 20 0 EDADMP CCC1(CO)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665760215 452330688 /nfs/dbraw/zinc/33/06/88/452330688.db2.gz CHHDNYZSFRZBAD-INIZCTEOSA-N 2 1 342.528 1.453 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C[C@@H]1C ZINC000665760743 452332880 /nfs/dbraw/zinc/33/28/80/452332880.db2.gz OKDVLGRTJYCHMJ-ULQDDVLXSA-N 2 1 341.544 1.383 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](O)CC12CCC2 ZINC000665764058 452348150 /nfs/dbraw/zinc/34/81/50/452348150.db2.gz SURFMNNJEXQADY-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](O)CC12CCC2 ZINC000665764058 452348161 /nfs/dbraw/zinc/34/81/61/452348161.db2.gz SURFMNNJEXQADY-HOTGVXAUSA-N 2 1 340.512 1.347 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000652155829 452349168 /nfs/dbraw/zinc/34/91/68/452349168.db2.gz OELQSEKUGGRAGI-HNNXBMFYSA-N 2 1 334.464 1.174 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC[N@H+]1C ZINC000652159101 452352899 /nfs/dbraw/zinc/35/28/99/452352899.db2.gz RMHXZPKUJKGYFL-JJTUDDRGSA-N 2 1 338.496 1.397 20 0 EDADMP CC[C@H](CNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000638067915 452370287 /nfs/dbraw/zinc/37/02/87/452370287.db2.gz GUVYJPMZCHSDQO-HBFSDRIKSA-N 2 1 345.487 1.707 20 0 EDADMP CC[C@@]1(O)CCC[N@@H+](CCOCC[NH+]2CCC[C@@](O)(CC)C2)C1 ZINC000640034436 452371384 /nfs/dbraw/zinc/37/13/84/452371384.db2.gz XWSGZKYMVGESSL-HDICACEKSA-N 2 1 328.497 1.477 20 0 EDADMP CC[C@@]1(O)CCC[N@H+](CCOCC[NH+]2CCC[C@@](O)(CC)C2)C1 ZINC000640034436 452371391 /nfs/dbraw/zinc/37/13/91/452371391.db2.gz XWSGZKYMVGESSL-HDICACEKSA-N 2 1 328.497 1.477 20 0 EDADMP CC[NH2+]CCCNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000659505421 452371716 /nfs/dbraw/zinc/37/17/16/452371716.db2.gz MZKQDFIKKHNASM-KRWDZBQOSA-N 2 1 334.464 1.052 20 0 EDADMP C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[NH2+]CCO1 ZINC000638079431 452396579 /nfs/dbraw/zinc/39/65/79/452396579.db2.gz DUXJWOPXFNAREK-HKUYNNGSSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000645452126 452419710 /nfs/dbraw/zinc/41/97/10/452419710.db2.gz HDQNYJYZOVYFOK-HKUYNNGSSA-N 2 1 344.503 1.309 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000663693508 452431602 /nfs/dbraw/zinc/43/16/02/452431602.db2.gz OZXOXEDXUNGVTI-RDJZCZTQSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000645475558 452447957 /nfs/dbraw/zinc/44/79/57/452447957.db2.gz DORNKRQFSLZNAS-WMLDXEAASA-N 2 1 334.439 1.062 20 0 EDADMP CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659608231 452464249 /nfs/dbraw/zinc/46/42/49/452464249.db2.gz BDXGZTJWCCLUCB-HUUCEWRRSA-N 2 1 338.496 1.256 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000659618787 452476843 /nfs/dbraw/zinc/47/68/43/452476843.db2.gz GMEOHFKLRRDCSN-ZWKOTPCHSA-N 2 1 332.492 1.928 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000659618787 452476850 /nfs/dbraw/zinc/47/68/50/452476850.db2.gz GMEOHFKLRRDCSN-ZWKOTPCHSA-N 2 1 332.492 1.928 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000659625523 452482769 /nfs/dbraw/zinc/48/27/69/452482769.db2.gz WBKKZDKYXQBINK-QBPKDAKJSA-N 2 1 340.512 1.643 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652314776 452488269 /nfs/dbraw/zinc/48/82/69/452488269.db2.gz FRXVCVMEHJAICX-UHFFFAOYSA-N 2 1 326.485 1.128 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)C[NH2+]C ZINC000659646703 452508256 /nfs/dbraw/zinc/50/82/56/452508256.db2.gz PRUDLBLADIEFNS-DOTOQJQBSA-N 2 1 333.480 1.685 20 0 EDADMP O=C(C1CC1)N1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655687019 452511069 /nfs/dbraw/zinc/51/10/69/452511069.db2.gz IAJBJGNJHFSULX-SFHVURJKSA-N 2 1 335.492 1.620 20 0 EDADMP CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345473 452519317 /nfs/dbraw/zinc/51/93/17/452519317.db2.gz CKMALHVSCJAZFT-FHWLQOOXSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346647 452522565 /nfs/dbraw/zinc/52/25/65/452522565.db2.gz CQFQPHIFPSFBOJ-OWSLCNJRSA-N 2 1 337.508 1.996 20 0 EDADMP CS(=O)(=O)CC1(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652350084 452525222 /nfs/dbraw/zinc/52/52/22/452525222.db2.gz FIUHTNMUZJNDEA-KKUMJFAQSA-N 2 1 330.494 1.030 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ncnn3-c3ccccc3)C2)C1 ZINC000652350127 452526269 /nfs/dbraw/zinc/52/62/69/452526269.db2.gz HEUDNRNFVRQIBY-JFIYKMOQSA-N 2 1 341.459 1.986 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ncnn3-c3ccccc3)C2)C1 ZINC000652350127 452526275 /nfs/dbraw/zinc/52/62/75/452526275.db2.gz HEUDNRNFVRQIBY-JFIYKMOQSA-N 2 1 341.459 1.986 20 0 EDADMP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350975 452528787 /nfs/dbraw/zinc/52/87/87/452528787.db2.gz BSOLGQLHWFLQNM-QOKNQOGYSA-N 2 1 331.460 1.761 20 0 EDADMP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350975 452528797 /nfs/dbraw/zinc/52/87/97/452528797.db2.gz BSOLGQLHWFLQNM-QOKNQOGYSA-N 2 1 331.460 1.761 20 0 EDADMP O=S1(=O)CCC(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655735360 452549098 /nfs/dbraw/zinc/54/90/98/452549098.db2.gz HWIGZZRDZUURKH-QGZVFWFLSA-N 2 1 344.521 1.434 20 0 EDADMP Cc1[nH+]c(N2CCOCC2)ccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655752767 452560085 /nfs/dbraw/zinc/56/00/85/452560085.db2.gz UFUDZGQSQIHFKS-KRWDZBQOSA-N 2 1 346.475 1.892 20 0 EDADMP C[C@@H](Cn1cncn1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000657852682 452568030 /nfs/dbraw/zinc/56/80/30/452568030.db2.gz XDIROFMXUUMPIY-JKSUJKDBSA-N 2 1 329.448 1.677 20 0 EDADMP C[C@@H](Cn1cncn1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000657852682 452568040 /nfs/dbraw/zinc/56/80/40/452568040.db2.gz XDIROFMXUUMPIY-JKSUJKDBSA-N 2 1 329.448 1.677 20 0 EDADMP CC[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCCCO1 ZINC000655855427 452610224 /nfs/dbraw/zinc/61/02/24/452610224.db2.gz DJHKFERVPDAPRH-IRXDYDNUSA-N 2 1 333.480 1.666 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000655921281 452684439 /nfs/dbraw/zinc/68/44/39/452684439.db2.gz NEIPATVCWVQPAG-XBFCOCLRSA-N 2 1 344.381 1.838 20 0 EDADMP CC(C)Cn1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000666218545 452693159 /nfs/dbraw/zinc/69/31/59/452693159.db2.gz UPMPWYMBKGQJAP-HNNXBMFYSA-N 2 1 338.500 1.933 20 0 EDADMP CC(C)Cn1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000666218545 452693168 /nfs/dbraw/zinc/69/31/68/452693168.db2.gz UPMPWYMBKGQJAP-HNNXBMFYSA-N 2 1 338.500 1.933 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000645732610 452731682 /nfs/dbraw/zinc/73/16/82/452731682.db2.gz FVDCGAZAOOJWPM-GFCCVEGCSA-N 2 1 337.386 1.098 20 0 EDADMP CNC(=O)c1ccn([C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000647991518 452733962 /nfs/dbraw/zinc/73/39/62/452733962.db2.gz FDOIMMOENUSKBV-MRXNPFEDSA-N 2 1 333.480 1.659 20 0 EDADMP C[C@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964928 452745979 /nfs/dbraw/zinc/74/59/79/452745979.db2.gz JFXZJIZZEJPBSC-AIANPOQGSA-N 2 1 326.485 1.173 20 0 EDADMP C[C@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655964928 452745985 /nfs/dbraw/zinc/74/59/85/452745985.db2.gz JFXZJIZZEJPBSC-AIANPOQGSA-N 2 1 326.485 1.173 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655230 452765252 /nfs/dbraw/zinc/76/52/52/452765252.db2.gz DZHJPQTUSIJKHB-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655230 452765264 /nfs/dbraw/zinc/76/52/64/452765264.db2.gz DZHJPQTUSIJKHB-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@@H]1CCC[NH+]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655230 452765268 /nfs/dbraw/zinc/76/52/68/452765268.db2.gz DZHJPQTUSIJKHB-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@H](CNC(=O)N(C)C[C@@H]1CCC[NH+]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655230 452765277 /nfs/dbraw/zinc/76/52/77/452765277.db2.gz DZHJPQTUSIJKHB-WCVJEAGWSA-N 2 1 326.485 1.220 20 0 EDADMP c1ncc(C[N@H+]2CCC3(COC3)C2)cc1C[NH+]1CCC2(COC2)C1 ZINC000662072747 452817786 /nfs/dbraw/zinc/81/77/86/452817786.db2.gz IUOKYNKMQWYLLE-UHFFFAOYSA-N 2 1 329.444 1.526 20 0 EDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000658344600 452856344 /nfs/dbraw/zinc/85/63/44/452856344.db2.gz VZVANZMJUMWOBA-DUXKGJEZSA-N 2 1 342.531 1.875 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000658344600 452856354 /nfs/dbraw/zinc/85/63/54/452856354.db2.gz VZVANZMJUMWOBA-DUXKGJEZSA-N 2 1 342.531 1.875 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658344600 452856365 /nfs/dbraw/zinc/85/63/65/452856365.db2.gz VZVANZMJUMWOBA-DUXKGJEZSA-N 2 1 342.531 1.875 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658344600 452856377 /nfs/dbraw/zinc/85/63/77/452856377.db2.gz VZVANZMJUMWOBA-DUXKGJEZSA-N 2 1 342.531 1.875 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)C2)C1 ZINC000662140544 452876175 /nfs/dbraw/zinc/87/61/75/452876175.db2.gz INMHNJPWIJVLSO-ICSRJNTNSA-N 2 1 342.487 1.998 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000662140544 452876181 /nfs/dbraw/zinc/87/61/81/452876181.db2.gz INMHNJPWIJVLSO-ICSRJNTNSA-N 2 1 342.487 1.998 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)C2)C1 ZINC000662140544 452876189 /nfs/dbraw/zinc/87/61/89/452876189.db2.gz INMHNJPWIJVLSO-ICSRJNTNSA-N 2 1 342.487 1.998 20 0 EDADMP CN(C)c1nc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc[nH+]1 ZINC000664238948 452914673 /nfs/dbraw/zinc/91/46/73/452914673.db2.gz MFIBFWIXDKKYFX-INIZCTEOSA-N 2 1 327.432 1.721 20 0 EDADMP CN(C)c1nc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc[nH+]1 ZINC000664238948 452914681 /nfs/dbraw/zinc/91/46/81/452914681.db2.gz MFIBFWIXDKKYFX-INIZCTEOSA-N 2 1 327.432 1.721 20 0 EDADMP CN(C)C(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)[nH]1 ZINC000650723829 452952979 /nfs/dbraw/zinc/95/29/79/452952979.db2.gz URYHRUIAMCXLEJ-XKQJLSEDSA-N 2 1 334.464 1.577 20 0 EDADMP O=C(CN1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1)N1CCCC1 ZINC000662258479 452987798 /nfs/dbraw/zinc/98/77/98/452987798.db2.gz JCIQSEHOPKYCDT-UHFFFAOYSA-N 2 1 342.487 1.072 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000650780928 452992687 /nfs/dbraw/zinc/99/26/87/452992687.db2.gz JEWHLPGKTNTQMO-SJLPKXTDSA-N 2 1 332.492 1.895 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000650780928 452992690 /nfs/dbraw/zinc/99/26/90/452992690.db2.gz JEWHLPGKTNTQMO-SJLPKXTDSA-N 2 1 332.492 1.895 20 0 EDADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000646002970 452999185 /nfs/dbraw/zinc/99/91/85/452999185.db2.gz LTMAIGYIMHHTMI-AEFFLSMTSA-N 2 1 330.476 1.233 20 0 EDADMP O=C1[C@H]([NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CCN1CC(F)(F)F ZINC000662294951 453019264 /nfs/dbraw/zinc/01/92/64/453019264.db2.gz XKBLBAWHSJQLMU-UONOGXRCSA-N 2 1 333.398 1.861 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666664217 453050768 /nfs/dbraw/zinc/05/07/68/453050768.db2.gz BIOJJMGHKYROEJ-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP c1c([C@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000662338260 453056017 /nfs/dbraw/zinc/05/60/17/453056017.db2.gz PLTYTXFJSIUOKZ-JKSUJKDBSA-N 2 1 333.480 1.568 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](C(=O)NCc2ccccc2)C1)C1CC1 ZINC000646057639 453067052 /nfs/dbraw/zinc/06/70/52/453067052.db2.gz IAHRBZVCLDSTQO-FUHWJXTLSA-N 2 1 331.460 1.080 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](C(=O)NCc2ccccc2)C1)C1CC1 ZINC000646057639 453067057 /nfs/dbraw/zinc/06/70/57/453067057.db2.gz IAHRBZVCLDSTQO-FUHWJXTLSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1)C1CC1 ZINC000646057639 453067061 /nfs/dbraw/zinc/06/70/61/453067061.db2.gz IAHRBZVCLDSTQO-FUHWJXTLSA-N 2 1 331.460 1.080 20 0 EDADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](C(=O)NCc2ccccc2)C1)C1CC1 ZINC000646057639 453067064 /nfs/dbraw/zinc/06/70/64/453067064.db2.gz IAHRBZVCLDSTQO-FUHWJXTLSA-N 2 1 331.460 1.080 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000666761210 453125600 /nfs/dbraw/zinc/12/56/00/453125600.db2.gz NNQMSLIOGXZJPD-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000664478129 453129588 /nfs/dbraw/zinc/12/95/88/453129588.db2.gz ILRHFJGHIUPNCY-JKSUJKDBSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000664478129 453129591 /nfs/dbraw/zinc/12/95/91/453129591.db2.gz ILRHFJGHIUPNCY-JKSUJKDBSA-N 2 1 340.512 1.659 20 0 EDADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)c1ccccc1 ZINC000646121920 453136708 /nfs/dbraw/zinc/13/67/08/453136708.db2.gz YVODURIATVXGEN-RBUKOAKNSA-N 2 1 344.503 1.576 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(C[NH3+])cc3)C2)CC1 ZINC000646188809 453202401 /nfs/dbraw/zinc/20/24/01/453202401.db2.gz MJXZUPBNPCDXGI-KRWDZBQOSA-N 2 1 345.491 1.113 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NCc3ccc(C[NH3+])cc3)C2)CC1 ZINC000646188809 453202409 /nfs/dbraw/zinc/20/24/09/453202409.db2.gz MJXZUPBNPCDXGI-KRWDZBQOSA-N 2 1 345.491 1.113 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH2+]C(C)C)C2)cc(OC)c1 ZINC000662496174 453213649 /nfs/dbraw/zinc/21/36/49/453213649.db2.gz CLQFKVMGQRXHDW-HNNXBMFYSA-N 2 1 335.448 1.392 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C[NH2+]C(C)C)C2)cc(OC)c1 ZINC000662496174 453213654 /nfs/dbraw/zinc/21/36/54/453213654.db2.gz CLQFKVMGQRXHDW-HNNXBMFYSA-N 2 1 335.448 1.392 20 0 EDADMP CC[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000662503876 453219728 /nfs/dbraw/zinc/21/97/28/453219728.db2.gz YURNZMUKTKQXKA-GUDVDZBRSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662503876 453219736 /nfs/dbraw/zinc/21/97/36/453219736.db2.gz YURNZMUKTKQXKA-GUDVDZBRSA-N 2 1 345.487 1.782 20 0 EDADMP Fc1cccn2cc(C[NH2+]C[C@H](N3CC[NH2+]CC3)C(F)(F)F)nc12 ZINC000666899063 453225014 /nfs/dbraw/zinc/22/50/14/453225014.db2.gz WQDHBOBJPXPGCM-ZDUSSCGKSA-N 2 1 345.344 1.399 20 0 EDADMP C[C@H](CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000664626844 453262971 /nfs/dbraw/zinc/26/29/71/453262971.db2.gz UMPNIELBCFWMRQ-QAPCUYQASA-N 2 1 348.491 1.393 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662550551 453281328 /nfs/dbraw/zinc/28/13/28/453281328.db2.gz DDTXIEBJBZYOLQ-CWSCBRNRSA-N 2 1 326.238 1.645 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000648804069 453288928 /nfs/dbraw/zinc/28/89/28/453288928.db2.gz RNXDNKDBCYEISG-SUMDDJOVSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000648804069 453288935 /nfs/dbraw/zinc/28/89/35/453288935.db2.gz RNXDNKDBCYEISG-SUMDDJOVSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000648804069 453288943 /nfs/dbraw/zinc/28/89/43/453288943.db2.gz RNXDNKDBCYEISG-SUMDDJOVSA-N 2 1 331.460 1.080 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653108640 453291358 /nfs/dbraw/zinc/29/13/58/453291358.db2.gz CJLKBDLKIGYNAE-APWZRJJASA-N 2 1 346.519 1.956 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000653108654 453291935 /nfs/dbraw/zinc/29/19/35/453291935.db2.gz CSNRMHKHGPZMGY-LPHOPBHVSA-N 2 1 346.519 1.814 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000666974714 453291985 /nfs/dbraw/zinc/29/19/85/453291985.db2.gz XJWXTRHXXGZTBP-OIISXLGYSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@@]1(C)C[NH3+] ZINC000662575562 453301606 /nfs/dbraw/zinc/30/16/06/453301606.db2.gz VEFRTARCXRWMPM-RIEGTJTDSA-N 2 1 340.265 1.892 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000653117421 453305249 /nfs/dbraw/zinc/30/52/49/453305249.db2.gz LJPWLFGQNWTWLC-KRWDZBQOSA-N 2 1 332.492 1.388 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653121465 453313454 /nfs/dbraw/zinc/31/34/54/453313454.db2.gz WANYHWRRQZGAPS-BPQIPLTHSA-N 2 1 332.492 1.292 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000651192379 453341260 /nfs/dbraw/zinc/34/12/60/453341260.db2.gz LHNUKDOVALUJPJ-IRXDYDNUSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000651192378 453341579 /nfs/dbraw/zinc/34/15/79/453341579.db2.gz LHNUKDOVALUJPJ-IAGOWNOFSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000651197108 453350842 /nfs/dbraw/zinc/35/08/42/453350842.db2.gz WEHMOVZGTHRRIT-CVEARBPZSA-N 2 1 328.501 1.061 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000651197108 453350847 /nfs/dbraw/zinc/35/08/47/453350847.db2.gz WEHMOVZGTHRRIT-CVEARBPZSA-N 2 1 328.501 1.061 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000651197108 453350855 /nfs/dbraw/zinc/35/08/55/453350855.db2.gz WEHMOVZGTHRRIT-CVEARBPZSA-N 2 1 328.501 1.061 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000655246303 453370301 /nfs/dbraw/zinc/37/03/01/453370301.db2.gz HABVIOWXLWCMKX-KURKYZTESA-N 2 1 330.476 1.750 20 0 EDADMP O=C1C[C@H](C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CN1 ZINC000660536291 453382147 /nfs/dbraw/zinc/38/21/47/453382147.db2.gz GAJXUFKWIZTFRS-OALUTQOASA-N 2 1 342.487 1.015 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662691781 453412335 /nfs/dbraw/zinc/41/23/35/453412335.db2.gz ITJDADOCLGSGBG-LSDHHAIUSA-N 2 1 334.468 1.053 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662711931 453435389 /nfs/dbraw/zinc/43/53/89/453435389.db2.gz CVOGVBXFWGPDHU-ROUUACIJSA-N 2 1 345.487 1.769 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662731662 453457588 /nfs/dbraw/zinc/45/75/88/453457588.db2.gz HYLFAXLESMJZBH-CHWSQXEVSA-N 2 1 328.254 1.939 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660634710 453476726 /nfs/dbraw/zinc/47/67/26/453476726.db2.gz SYTAZEULOVYNLS-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)NCC(=O)c1ccccc1)C2 ZINC000660663123 453500244 /nfs/dbraw/zinc/50/02/44/453500244.db2.gz NIRLVDLLNQITIS-HXUWFJFHSA-N 2 1 343.471 1.793 20 0 EDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)NCC(=O)c1ccccc1)C2 ZINC000660663123 453500250 /nfs/dbraw/zinc/50/02/50/453500250.db2.gz NIRLVDLLNQITIS-HXUWFJFHSA-N 2 1 343.471 1.793 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)NCC(=O)c1ccccc1)C2 ZINC000660663123 453500254 /nfs/dbraw/zinc/50/02/54/453500254.db2.gz NIRLVDLLNQITIS-HXUWFJFHSA-N 2 1 343.471 1.793 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)NCC(=O)c1ccccc1)C2 ZINC000660663123 453500259 /nfs/dbraw/zinc/50/02/59/453500259.db2.gz NIRLVDLLNQITIS-HXUWFJFHSA-N 2 1 343.471 1.793 20 0 EDADMP C[NH+]1CCN(C(=O)CN2CCC([NH2+]Cc3ccccc3)CC2)CC1 ZINC000660679605 453507725 /nfs/dbraw/zinc/50/77/25/453507725.db2.gz PQVRKKWNKHYOSH-UHFFFAOYSA-N 2 1 330.476 1.015 20 0 EDADMP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662776786 453512153 /nfs/dbraw/zinc/51/21/53/453512153.db2.gz NZGCZCBRJYIFEQ-LLVKDONJSA-N 2 1 329.379 1.524 20 0 EDADMP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000660702514 453525505 /nfs/dbraw/zinc/52/55/05/453525505.db2.gz JVPZEOYLWQAYDT-GOSISDBHSA-N 2 1 334.508 1.892 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662826033 453553309 /nfs/dbraw/zinc/55/33/09/453553309.db2.gz QWZUTXBAUYGKMX-NJAFHUGGSA-N 2 1 337.508 1.853 20 0 EDADMP C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@@H]1[NH3+] ZINC000658972549 453556871 /nfs/dbraw/zinc/55/68/71/453556871.db2.gz HATRGCNLIVEKHV-QAPCUYQASA-N 2 1 330.476 1.243 20 0 EDADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662858848 453573620 /nfs/dbraw/zinc/57/36/20/453573620.db2.gz IUYMIIFZECPMEZ-BJLQDIEVSA-N 2 1 345.487 1.777 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662873291 453582718 /nfs/dbraw/zinc/58/27/18/453582718.db2.gz WCABDCBNTUNRRK-KZNAEPCWSA-N 2 1 331.460 1.126 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000662878352 453584945 /nfs/dbraw/zinc/58/49/45/453584945.db2.gz REQUVQDOAXWZMP-INIZCTEOSA-N 2 1 345.491 1.485 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCSC1 ZINC000660826186 453589419 /nfs/dbraw/zinc/58/94/19/453589419.db2.gz NRSYSIKRIWAEPE-CZUORRHYSA-N 2 1 328.526 1.596 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000665173874 453600418 /nfs/dbraw/zinc/60/04/18/453600418.db2.gz XUAZBPQVPIESSR-GTPINHCMSA-N 3 1 341.544 1.430 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000665173874 453600421 /nfs/dbraw/zinc/60/04/21/453600421.db2.gz XUAZBPQVPIESSR-GTPINHCMSA-N 3 1 341.544 1.430 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000665217627 453610766 /nfs/dbraw/zinc/61/07/66/453610766.db2.gz PISGHKOYNXHMQD-QGZVFWFLSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000665217627 453610771 /nfs/dbraw/zinc/61/07/71/453610771.db2.gz PISGHKOYNXHMQD-QGZVFWFLSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000665217627 453610778 /nfs/dbraw/zinc/61/07/78/453610778.db2.gz PISGHKOYNXHMQD-QGZVFWFLSA-N 2 1 340.512 1.205 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)n1C ZINC000660856778 453614286 /nfs/dbraw/zinc/61/42/86/453614286.db2.gz WCRRQDFIRYONGY-HNNXBMFYSA-N 2 1 348.495 1.407 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)n1C ZINC000660856778 453614292 /nfs/dbraw/zinc/61/42/92/453614292.db2.gz WCRRQDFIRYONGY-HNNXBMFYSA-N 2 1 348.495 1.407 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000663002687 453643608 /nfs/dbraw/zinc/64/36/08/453643608.db2.gz HFBFNJQZUFXJJX-CVEARBPZSA-N 2 1 346.479 1.054 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000663004080 453644486 /nfs/dbraw/zinc/64/44/86/453644486.db2.gz PBEPIAMRIQRSCD-WMZOPIPTSA-N 2 1 345.491 1.659 20 0 EDADMP Cn1nc(C(F)(F)F)cc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000657356805 453774348 /nfs/dbraw/zinc/77/43/48/453774348.db2.gz RVVHLHOUEJTPPT-LBPRGKRZSA-N 2 1 334.386 1.765 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[C@H]1CCSC1 ZINC000614437949 486654445 /nfs/dbraw/zinc/65/44/45/486654445.db2.gz LAUNFYLPOWYFAL-HOTGVXAUSA-N 2 1 341.521 1.137 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2-n2cncn2)CCCO1 ZINC000683343866 486693216 /nfs/dbraw/zinc/69/32/16/486693216.db2.gz AHEFDANQURPJOY-INIZCTEOSA-N 2 1 329.448 1.858 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@H+]1C[C@H](C)O ZINC000680282243 486738479 /nfs/dbraw/zinc/73/84/79/486738479.db2.gz RGJMMWNAADLTMN-YQQAZPJKSA-N 2 1 340.512 1.203 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cnn1C ZINC000667436577 486781444 /nfs/dbraw/zinc/78/14/44/486781444.db2.gz JCRWUAYBLHVCHN-OAHLLOKOSA-N 2 1 336.484 1.608 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000672757478 486792217 /nfs/dbraw/zinc/79/22/17/486792217.db2.gz BGPWAUWXHNDQEO-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672757478 486792222 /nfs/dbraw/zinc/79/22/22/486792222.db2.gz BGPWAUWXHNDQEO-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672757478 486792224 /nfs/dbraw/zinc/79/22/24/486792224.db2.gz BGPWAUWXHNDQEO-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000680556242 486811813 /nfs/dbraw/zinc/81/18/13/486811813.db2.gz KESSULJJXAMKSW-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000680556242 486811818 /nfs/dbraw/zinc/81/18/18/486811818.db2.gz KESSULJJXAMKSW-GJZGRUSLSA-N 2 1 326.485 1.127 20 0 EDADMP C[NH2+]CCN(C)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417723890 486808498 /nfs/dbraw/zinc/80/84/98/486808498.db2.gz CWESSMAZTLXFBV-INIZCTEOSA-N 2 1 333.480 1.058 20 0 EDADMP C[C@@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)C1CC[NH+](C)CC1 ZINC000683943311 486876330 /nfs/dbraw/zinc/87/63/30/486876330.db2.gz ZJJTUUMJQQTMPI-CQSZACIVSA-N 2 1 330.476 1.672 20 0 EDADMP C[C@@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)C1CC[NH+](C)CC1 ZINC000683943311 486876339 /nfs/dbraw/zinc/87/63/39/486876339.db2.gz ZJJTUUMJQQTMPI-CQSZACIVSA-N 2 1 330.476 1.672 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)[C@H]1C[NH+](C)CCO1 ZINC000684119721 486952381 /nfs/dbraw/zinc/95/23/81/486952381.db2.gz XVOODTNRCZMKQD-ZNMIVQPWSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1C[NH+](C)CCO1 ZINC000684119721 486952383 /nfs/dbraw/zinc/95/23/83/486952383.db2.gz XVOODTNRCZMKQD-ZNMIVQPWSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000684119721 486952387 /nfs/dbraw/zinc/95/23/87/486952387.db2.gz XVOODTNRCZMKQD-ZNMIVQPWSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000684119721 486952391 /nfs/dbraw/zinc/95/23/91/486952391.db2.gz XVOODTNRCZMKQD-ZNMIVQPWSA-N 2 1 326.485 1.125 20 0 EDADMP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000677216367 487010645 /nfs/dbraw/zinc/01/06/45/487010645.db2.gz BPGWKEQBIOABDX-OAHLLOKOSA-N 2 1 346.475 1.282 20 0 EDADMP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000677216367 487010648 /nfs/dbraw/zinc/01/06/48/487010648.db2.gz BPGWKEQBIOABDX-OAHLLOKOSA-N 2 1 346.475 1.282 20 0 EDADMP O=C(c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1)N1CCOCC1 ZINC000677237126 487018327 /nfs/dbraw/zinc/01/83/27/487018327.db2.gz BOLKDDJRXQOHDL-MOPGFXCFSA-N 2 1 343.471 1.875 20 0 EDADMP O=C(c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1)N1CCOCC1 ZINC000677237126 487018329 /nfs/dbraw/zinc/01/83/29/487018329.db2.gz BOLKDDJRXQOHDL-MOPGFXCFSA-N 2 1 343.471 1.875 20 0 EDADMP Cc1cn2ccc(NC(=O)N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)cc2n1 ZINC000668166139 487127730 /nfs/dbraw/zinc/12/77/30/487127730.db2.gz RJUGJMNFPUTFKI-OKILXGFUSA-N 2 1 331.420 1.562 20 0 EDADMP Cc1cn2ccc(NC(=O)N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)cc2n1 ZINC000668166139 487127733 /nfs/dbraw/zinc/12/77/33/487127733.db2.gz RJUGJMNFPUTFKI-OKILXGFUSA-N 2 1 331.420 1.562 20 0 EDADMP C[C@@H](Cc1cnn(C)c1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000678143530 487256942 /nfs/dbraw/zinc/25/69/42/487256942.db2.gz KSMZPPDUAQSRQV-LPHOPBHVSA-N 2 1 328.460 1.578 20 0 EDADMP C[C@@H](Cc1cnn(C)c1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000678143530 487256945 /nfs/dbraw/zinc/25/69/45/487256945.db2.gz KSMZPPDUAQSRQV-LPHOPBHVSA-N 2 1 328.460 1.578 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000681975988 487269791 /nfs/dbraw/zinc/26/97/91/487269791.db2.gz APRUYQCKMIXZGL-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[N@H+](CCO)C(C)(C)C1)[NH+]1CCCCC1 ZINC000682012634 487283258 /nfs/dbraw/zinc/28/32/58/487283258.db2.gz VRULVEAJWCGWQF-INIZCTEOSA-N 2 1 325.497 1.412 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)[NH+]1CCCCC1 ZINC000682012634 487283263 /nfs/dbraw/zinc/28/32/63/487283263.db2.gz VRULVEAJWCGWQF-INIZCTEOSA-N 2 1 325.497 1.412 20 0 EDADMP O[C@@H](C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C[NH+]1CCCC1 ZINC000678895842 487376973 /nfs/dbraw/zinc/37/69/73/487376973.db2.gz UBXAWPQFBAWZFY-LPHOPBHVSA-N 2 1 332.444 1.955 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000675191992 487387418 /nfs/dbraw/zinc/38/74/18/487387418.db2.gz SLRKJHRMKKXAAJ-IRXDYDNUSA-N 2 1 339.528 1.044 20 0 EDADMP CN(C)C(=O)NCC[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679391364 487421217 /nfs/dbraw/zinc/42/12/17/487421217.db2.gz UVPANXLZBCCUOE-UHFFFAOYSA-N 2 1 348.491 1.864 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000683136668 487453317 /nfs/dbraw/zinc/45/33/17/487453317.db2.gz BAMUGJWRLSLRDT-ICSRJNTNSA-N 2 1 345.487 1.422 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000683136668 487453318 /nfs/dbraw/zinc/45/33/18/487453318.db2.gz BAMUGJWRLSLRDT-ICSRJNTNSA-N 2 1 345.487 1.422 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000683136668 487453319 /nfs/dbraw/zinc/45/33/19/487453319.db2.gz BAMUGJWRLSLRDT-ICSRJNTNSA-N 2 1 345.487 1.422 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000668962984 485499356 /nfs/dbraw/zinc/49/93/56/485499356.db2.gz GQDXMROACYKBOA-QXSJWSMHSA-N 2 1 340.512 1.643 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000668962984 485499360 /nfs/dbraw/zinc/49/93/60/485499360.db2.gz GQDXMROACYKBOA-QXSJWSMHSA-N 2 1 340.512 1.643 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000669570885 485591976 /nfs/dbraw/zinc/59/19/76/485591976.db2.gz HVRLZPSLAGOGPP-ARFHVFGLSA-N 2 1 326.485 1.256 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000669573793 485605660 /nfs/dbraw/zinc/60/56/60/485605660.db2.gz YIOOVHDDAXQMTN-JQHSSLGASA-N 2 1 346.475 1.266 20 0 EDADMP FC(F)C1CCC([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000669614997 485754524 /nfs/dbraw/zinc/75/45/24/485754524.db2.gz NPVIKEINZQPCQN-UYSNPLJNSA-N 2 1 331.451 1.806 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000668541059 485869159 /nfs/dbraw/zinc/86/91/59/485869159.db2.gz IOQKLSPXJRBWPN-WMLDXEAASA-N 2 1 325.416 1.676 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669388172 486023279 /nfs/dbraw/zinc/02/32/79/486023279.db2.gz RXSLMPDCMVPEMX-BBWFWOEESA-N 2 1 334.508 1.892 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000629173685 486114531 /nfs/dbraw/zinc/11/45/31/486114531.db2.gz SMTJGESHFIWFHL-MSOLQXFVSA-N 2 1 331.460 1.224 20 0 EDADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000629173685 486114535 /nfs/dbraw/zinc/11/45/35/486114535.db2.gz SMTJGESHFIWFHL-MSOLQXFVSA-N 2 1 331.460 1.224 20 0 EDADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000629173685 486114542 /nfs/dbraw/zinc/11/45/42/486114542.db2.gz SMTJGESHFIWFHL-MSOLQXFVSA-N 2 1 331.460 1.224 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000672697802 486198420 /nfs/dbraw/zinc/19/84/20/486198420.db2.gz YYBLYYHEFAQGMV-MRXNPFEDSA-N 2 1 349.479 1.031 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000167700952 486482235 /nfs/dbraw/zinc/48/22/35/486482235.db2.gz CJKRSJNQUGQSRC-HXUWFJFHSA-N 2 1 344.503 1.262 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631843017 486562115 /nfs/dbraw/zinc/56/21/15/486562115.db2.gz ILLZOFMQPGIBTG-HZSPNIEDSA-N 2 1 335.448 1.408 20 0 EDADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631843017 486562118 /nfs/dbraw/zinc/56/21/18/486562118.db2.gz ILLZOFMQPGIBTG-HZSPNIEDSA-N 2 1 335.448 1.408 20 0 EDADMP C[NH+](C)CCCOc1ccc(NC(=O)CN2CC[NH+](C)CC2)cc1 ZINC000073471667 491008844 /nfs/dbraw/zinc/00/88/44/491008844.db2.gz HGLLDLFPEAFGGR-UHFFFAOYSA-N 2 1 334.464 1.203 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cn4cccnc4n3)cc2)C1 ZINC000668490147 491179881 /nfs/dbraw/zinc/17/98/81/491179881.db2.gz RLKJWZRKRQUYHZ-GOSISDBHSA-N 2 1 337.427 1.586 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cn4cccnc4n3)cc2)C1 ZINC000668490147 491179886 /nfs/dbraw/zinc/17/98/86/491179886.db2.gz RLKJWZRKRQUYHZ-GOSISDBHSA-N 2 1 337.427 1.586 20 0 EDADMP Cc1cc(N2CC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C2=O)n(C)n1 ZINC000173778469 533907996 /nfs/dbraw/zinc/90/79/96/533907996.db2.gz RTWMQQBHWCNTEU-LSDHHAIUSA-N 2 1 335.496 1.790 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000339347591 536481665 /nfs/dbraw/zinc/48/16/65/536481665.db2.gz CDNPBZYISQFHEW-BBRMVZONSA-N 2 1 339.277 1.963 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000339347591 536481667 /nfs/dbraw/zinc/48/16/67/536481667.db2.gz CDNPBZYISQFHEW-BBRMVZONSA-N 2 1 339.277 1.963 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000174752129 527739224 /nfs/dbraw/zinc/73/92/24/527739224.db2.gz FHQMPHAFINGUIC-SFHVURJKSA-N 2 1 331.460 1.984 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000174752129 527739228 /nfs/dbraw/zinc/73/92/28/527739228.db2.gz FHQMPHAFINGUIC-SFHVURJKSA-N 2 1 331.460 1.984 20 0 EDADMP CC(C)[NH+](CCNC(=O)N1CCC([N@@H+](C)CCCO)CC1)C(C)C ZINC000152834251 528903313 /nfs/dbraw/zinc/90/33/13/528903313.db2.gz XUZASUROBZFCMU-UHFFFAOYSA-N 2 1 342.528 1.593 20 0 EDADMP CC(C)CN(CC(C)C)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352777642 535032553 /nfs/dbraw/zinc/03/25/53/535032553.db2.gz HQTVBDWUILBVFZ-UHFFFAOYSA-N 2 1 340.556 1.696 20 0 EDADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000262945523 535051455 /nfs/dbraw/zinc/05/14/55/535051455.db2.gz ARCDRHKOIIYJMU-ZVZYQTTQSA-N 2 1 346.475 1.038 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000339612030 535065723 /nfs/dbraw/zinc/06/57/23/535065723.db2.gz HJQNKIGSISWQPN-JKSUJKDBSA-N 2 1 340.512 1.020 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000261647089 535132537 /nfs/dbraw/zinc/13/25/37/535132537.db2.gz BCDHZHOIHABMEX-DZVNLGKHSA-N 2 1 337.508 1.578 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]([NH3+])CCSC)[NH+]1CCOCC1 ZINC000236690223 535143813 /nfs/dbraw/zinc/14/38/13/535143813.db2.gz VKLWOMQZOODXFD-GJZGRUSLSA-N 2 1 331.526 1.320 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000346302439 535216666 /nfs/dbraw/zinc/21/66/66/535216666.db2.gz LEHLDHGQXXJIQJ-SFHVURJKSA-N 2 1 349.475 1.812 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000346302439 535216670 /nfs/dbraw/zinc/21/66/70/535216670.db2.gz LEHLDHGQXXJIQJ-SFHVURJKSA-N 2 1 349.475 1.812 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000133349332 535507259 /nfs/dbraw/zinc/50/72/59/535507259.db2.gz DJXZEQWIPMEROB-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000133349332 535507262 /nfs/dbraw/zinc/50/72/62/535507262.db2.gz DJXZEQWIPMEROB-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133349332 535507267 /nfs/dbraw/zinc/50/72/67/535507267.db2.gz DJXZEQWIPMEROB-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133349332 535507272 /nfs/dbraw/zinc/50/72/72/535507272.db2.gz DJXZEQWIPMEROB-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000236883662 535553689 /nfs/dbraw/zinc/55/36/89/535553689.db2.gz HAGRBKYITWJTQD-QGZVFWFLSA-N 2 1 335.448 1.012 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC000080603663 535595557 /nfs/dbraw/zinc/59/55/57/535595557.db2.gz QLOJQPPXFWMPRD-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(C(C)C)nn1 ZINC000339655964 535595997 /nfs/dbraw/zinc/59/59/97/535595997.db2.gz YJTWGFXUWYLWJQ-HNNXBMFYSA-N 2 1 336.484 1.347 20 0 EDADMP CCC[C@H]1CN(C(=O)NCCC[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000346985011 535735925 /nfs/dbraw/zinc/73/59/25/535735925.db2.gz HKDNAXWSEKNBCB-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+]([C@@H](C)CO)CC1)c1ccccc1 ZINC000347246048 535758170 /nfs/dbraw/zinc/75/81/70/535758170.db2.gz WHSZZRFHBRUPRF-FUHWJXTLSA-N 2 1 333.476 1.595 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+]([C@@H](C)CO)CC1)c1ccccc1 ZINC000347246048 535758174 /nfs/dbraw/zinc/75/81/74/535758174.db2.gz WHSZZRFHBRUPRF-FUHWJXTLSA-N 2 1 333.476 1.595 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1)c1ccccc1 ZINC000347246048 535758178 /nfs/dbraw/zinc/75/81/78/535758178.db2.gz WHSZZRFHBRUPRF-FUHWJXTLSA-N 2 1 333.476 1.595 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1)c1ccccc1 ZINC000347246048 535758181 /nfs/dbraw/zinc/75/81/81/535758181.db2.gz WHSZZRFHBRUPRF-FUHWJXTLSA-N 2 1 333.476 1.595 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1CC=CCC1)Cc1ccccc1 ZINC000353182453 536128783 /nfs/dbraw/zinc/12/87/83/536128783.db2.gz LGUCIEUFSHEBCS-GOSISDBHSA-N 2 1 330.476 1.720 20 0 EDADMP C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246769487 536390869 /nfs/dbraw/zinc/39/08/69/536390869.db2.gz RHAONRLBQSFGNX-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246769487 536390871 /nfs/dbraw/zinc/39/08/71/536390871.db2.gz RHAONRLBQSFGNX-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246769487 536390874 /nfs/dbraw/zinc/39/08/74/536390874.db2.gz RHAONRLBQSFGNX-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246769487 536390876 /nfs/dbraw/zinc/39/08/76/536390876.db2.gz RHAONRLBQSFGNX-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000237201421 536406555 /nfs/dbraw/zinc/40/65/55/536406555.db2.gz GZRZVOPWTMSVDM-GJZGRUSLSA-N 2 1 330.432 1.140 20 0 EDADMP C[N@@H+](C[C@@H](O)COc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353176512 536418865 /nfs/dbraw/zinc/41/88/65/536418865.db2.gz ZHDPDNZYMUBFNY-VFSICIBPSA-N 2 1 348.443 1.712 20 0 EDADMP C[NH+](C[C@@H](O)COc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353176512 536418869 /nfs/dbraw/zinc/41/88/69/536418869.db2.gz ZHDPDNZYMUBFNY-VFSICIBPSA-N 2 1 348.443 1.712 20 0 EDADMP C[NH+](C[C@@H](O)COc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353176512 536418872 /nfs/dbraw/zinc/41/88/72/536418872.db2.gz ZHDPDNZYMUBFNY-VFSICIBPSA-N 2 1 348.443 1.712 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000246067661 536785167 /nfs/dbraw/zinc/78/51/67/536785167.db2.gz ZSCGFMJVBVECGN-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000246067661 536785173 /nfs/dbraw/zinc/78/51/73/536785173.db2.gz ZSCGFMJVBVECGN-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000246067661 536785182 /nfs/dbraw/zinc/78/51/82/536785182.db2.gz ZSCGFMJVBVECGN-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP C[NH+]1CCN(c2ccccc2NC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000726871750 578366425 /nfs/dbraw/zinc/36/64/25/578366425.db2.gz ZVLBTDCBXVSJND-UHFFFAOYSA-N 2 1 331.464 1.608 20 0 EDADMP COc1cccc2cc(C[NH2+]CCC(=O)N3CC[NH+](C)CC3)oc21 ZINC000729680428 578587147 /nfs/dbraw/zinc/58/71/47/578587147.db2.gz LYMXNOPCNUGHDN-UHFFFAOYSA-N 2 1 331.416 1.695 20 0 EDADMP CCN(C(=O)CC[NH+]1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000760957400 580042577 /nfs/dbraw/zinc/04/25/77/580042577.db2.gz GJFQXQBAOXZYCF-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP CCN(C(=O)CC[NH+]1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760957400 580042578 /nfs/dbraw/zinc/04/25/78/580042578.db2.gz GJFQXQBAOXZYCF-IBGZPJMESA-N 2 1 345.487 1.832 20 0 EDADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000734278032 578804646 /nfs/dbraw/zinc/80/46/46/578804646.db2.gz BCJGLVRSOKFWGP-SJORKVTESA-N 2 1 336.480 1.119 20 0 EDADMP C[C@H](C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)[N@@H+](C)Cc1ccccc1 ZINC000735855717 578929443 /nfs/dbraw/zinc/92/94/43/578929443.db2.gz NVLDCQMMOPIJSG-NXHRZFHOSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+](C)Cc1ccccc1 ZINC000735855717 578929444 /nfs/dbraw/zinc/92/94/44/578929444.db2.gz NVLDCQMMOPIJSG-NXHRZFHOSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H](C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+](C)Cc1ccccc1 ZINC000735855717 578929445 /nfs/dbraw/zinc/92/94/45/578929445.db2.gz NVLDCQMMOPIJSG-NXHRZFHOSA-N 2 1 331.460 1.486 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C1 ZINC000747559634 579649068 /nfs/dbraw/zinc/64/90/68/579649068.db2.gz NFSGCFOGWNPMRT-CYBMUJFWSA-N 2 1 347.463 1.310 20 0 EDADMP CC(C)(C)OC(=O)NCC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000747727131 579656159 /nfs/dbraw/zinc/65/61/59/579656159.db2.gz TVZZITXXTWPCSU-MRXNPFEDSA-N 2 1 341.496 1.680 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCn1nc(C)cc1C ZINC000750734676 579778790 /nfs/dbraw/zinc/77/87/90/579778790.db2.gz KRLIFQOXEPIMSE-GOSISDBHSA-N 2 1 349.523 1.765 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000750853073 579783970 /nfs/dbraw/zinc/78/39/70/579783970.db2.gz UYRVZXFXJRKVJL-UHFFFAOYSA-N 2 1 331.460 1.443 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000750853073 579783971 /nfs/dbraw/zinc/78/39/71/579783971.db2.gz UYRVZXFXJRKVJL-UHFFFAOYSA-N 2 1 331.460 1.443 20 0 EDADMP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[S@@]1=O ZINC000763491275 580100973 /nfs/dbraw/zinc/10/09/73/580100973.db2.gz MWDDYDLBJXNKJX-MWTRTKDXSA-N 2 1 335.517 1.781 20 0 EDADMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[S@@]1=O ZINC000763491275 580100974 /nfs/dbraw/zinc/10/09/74/580100974.db2.gz MWDDYDLBJXNKJX-MWTRTKDXSA-N 2 1 335.517 1.781 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000765790596 580151467 /nfs/dbraw/zinc/15/14/67/580151467.db2.gz GJJXZJSWMWYJCZ-MANSERQUSA-N 2 1 339.524 1.576 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000765790596 580151468 /nfs/dbraw/zinc/15/14/68/580151468.db2.gz GJJXZJSWMWYJCZ-MANSERQUSA-N 2 1 339.524 1.576 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000765790596 580151469 /nfs/dbraw/zinc/15/14/69/580151469.db2.gz GJJXZJSWMWYJCZ-MANSERQUSA-N 2 1 339.524 1.576 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](CCO)C2CC2)CC1 ZINC000771794743 580294216 /nfs/dbraw/zinc/29/42/16/580294216.db2.gz IIBBXMPHSAJNNF-LPHOPBHVSA-N 2 1 345.487 1.642 20 0 EDADMP CCCCC[C@H](C)NC(=O)CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000779652684 580493156 /nfs/dbraw/zinc/49/31/56/580493156.db2.gz HQQQOXWBXRBKKS-LSDHHAIUSA-N 2 1 342.484 1.679 20 0 EDADMP CCCCC[C@H](C)NC(=O)CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000779652684 580493157 /nfs/dbraw/zinc/49/31/57/580493157.db2.gz HQQQOXWBXRBKKS-LSDHHAIUSA-N 2 1 342.484 1.679 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCCn2cc[nH+]c2C)CC1=O ZINC000785649100 580648855 /nfs/dbraw/zinc/64/88/55/580648855.db2.gz YXOIMXVLBUSVOH-JKSUJKDBSA-N 2 1 348.447 1.068 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCCn2cc[nH+]c2C)CC1=O ZINC000785649100 580648856 /nfs/dbraw/zinc/64/88/56/580648856.db2.gz YXOIMXVLBUSVOH-JKSUJKDBSA-N 2 1 348.447 1.068 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)COC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000785745191 580652183 /nfs/dbraw/zinc/65/21/83/580652183.db2.gz ZDKYAOQJWXDMRL-GASCZTMLSA-N 2 1 339.480 1.391 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)COC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000785745191 580652184 /nfs/dbraw/zinc/65/21/84/580652184.db2.gz ZDKYAOQJWXDMRL-GASCZTMLSA-N 2 1 339.480 1.391 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)COC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000785745192 580652203 /nfs/dbraw/zinc/65/22/03/580652203.db2.gz ZDKYAOQJWXDMRL-GJZGRUSLSA-N 2 1 339.480 1.391 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C[C@H]1C(F)(F)F ZINC000891857935 590658114 /nfs/dbraw/zinc/65/81/14/590658114.db2.gz HVSPRHMYCAZDIA-KWCYVHTRSA-N 2 1 348.413 1.782 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCCO1 ZINC000891857145 590658309 /nfs/dbraw/zinc/65/83/09/590658309.db2.gz ZAIZIDHIFFXWOY-CVEARBPZSA-N 2 1 340.512 1.565 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)CC[C@@H]21 ZINC000892119122 590809789 /nfs/dbraw/zinc/80/97/89/590809789.db2.gz MQJGOUCUTMFZNT-NJAFHUGGSA-N 2 1 328.460 1.609 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@@H]1C(F)(F)F ZINC000892234982 590879874 /nfs/dbraw/zinc/87/98/74/590879874.db2.gz BNHRAMRDCXZWGV-RQJABVFESA-N 2 1 348.413 1.782 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000909397161 590941955 /nfs/dbraw/zinc/94/19/55/590941955.db2.gz OGPFJXQLFCHPGI-IRXDYDNUSA-N 2 1 336.524 1.536 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@@](C)(C[NH3+])C3)C2)cc1 ZINC000892530690 591060817 /nfs/dbraw/zinc/06/08/17/591060817.db2.gz VDIFFQJZEJHQKC-HKUYNNGSSA-N 2 1 330.476 1.950 20 0 EDADMP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000891365202 591062369 /nfs/dbraw/zinc/06/23/69/591062369.db2.gz HIMRMSONFZVVBF-LLVKDONJSA-N 2 1 335.477 1.154 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892575516 591077943 /nfs/dbraw/zinc/07/79/43/591077943.db2.gz CQCRDJGDJWVKPT-QAQDUYKDSA-N 2 1 345.491 1.187 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000893765729 591088850 /nfs/dbraw/zinc/08/88/50/591088850.db2.gz ZLKDQAMPMVLZCK-OWCLPIDISA-N 2 1 326.485 1.079 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000893765729 591088854 /nfs/dbraw/zinc/08/88/54/591088854.db2.gz ZLKDQAMPMVLZCK-OWCLPIDISA-N 2 1 326.485 1.079 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891537560 591112377 /nfs/dbraw/zinc/11/23/77/591112377.db2.gz KRBFIUURBPTUFV-ROUUACIJSA-N 2 1 346.475 1.111 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891536517 591113754 /nfs/dbraw/zinc/11/37/54/591113754.db2.gz SRKFRNHHMRHNIN-AAEUAGOBSA-N 2 1 329.395 1.372 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000891547266 591117713 /nfs/dbraw/zinc/11/77/13/591117713.db2.gz ZEYLCQNSMVJJNM-INIZCTEOSA-N 2 1 328.526 1.442 20 0 EDADMP CN(C)Cc1ccc(CN(C)CC(=O)N(C)C)c2c1OC(F)(F)O2 ZINC000893901808 591129448 /nfs/dbraw/zinc/12/94/48/591129448.db2.gz FGQDNFZKTNVUGV-UHFFFAOYSA-N 2 1 343.374 1.590 20 0 EDADMP C[C@@H]1CN(c2nccc(N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)n2)C[C@H](C)[NH+]1C ZINC000893990074 591161818 /nfs/dbraw/zinc/16/18/18/591161818.db2.gz FYSROYHEBSRVEF-GEEKYZPCSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1CN(c2ccnc(N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)n2)C[C@H](C)[NH+]1C ZINC000893990074 591161821 /nfs/dbraw/zinc/16/18/21/591161821.db2.gz FYSROYHEBSRVEF-GEEKYZPCSA-N 2 1 332.496 1.534 20 0 EDADMP C[C@@H]1CN(c2ccnc(N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)n2)C[C@H](C)[NH+]1C ZINC000893990074 591161823 /nfs/dbraw/zinc/16/18/23/591161823.db2.gz FYSROYHEBSRVEF-GEEKYZPCSA-N 2 1 332.496 1.534 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)C2)C1 ZINC000892795996 591182930 /nfs/dbraw/zinc/18/29/30/591182930.db2.gz XTBCHAICEXLOOO-QUCCMNQESA-N 2 1 342.487 1.828 20 0 EDADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892800112 591185136 /nfs/dbraw/zinc/18/51/36/591185136.db2.gz FQNAINSIXRCTGU-JKSUJKDBSA-N 2 1 330.444 1.711 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000891698793 591189862 /nfs/dbraw/zinc/18/98/62/591189862.db2.gz JWVNWXOXFUYHEC-OAGGEKHMSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000891698793 591189864 /nfs/dbraw/zinc/18/98/64/591189864.db2.gz JWVNWXOXFUYHEC-OAGGEKHMSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000891738917 591205084 /nfs/dbraw/zinc/20/50/84/591205084.db2.gz MARXIJDZZNJSNA-MRXNPFEDSA-N 2 1 340.512 1.374 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000891738917 591205086 /nfs/dbraw/zinc/20/50/86/591205086.db2.gz MARXIJDZZNJSNA-MRXNPFEDSA-N 2 1 340.512 1.374 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000892944362 591234364 /nfs/dbraw/zinc/23/43/64/591234364.db2.gz PLAFIMRYONNGIZ-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000892944362 591234366 /nfs/dbraw/zinc/23/43/66/591234366.db2.gz PLAFIMRYONNGIZ-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000892944362 591234369 /nfs/dbraw/zinc/23/43/69/591234369.db2.gz PLAFIMRYONNGIZ-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP COC(=O)[C@H]1[C@H](C[NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(F)F ZINC000894238717 591240801 /nfs/dbraw/zinc/24/08/01/591240801.db2.gz VMKPEFXCQHWNPO-QWHCGFSZSA-N 2 1 332.391 1.275 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)c1ccnc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000894251092 591247121 /nfs/dbraw/zinc/24/71/21/591247121.db2.gz GSTWHJLOYRIKDU-HOTGVXAUSA-N 2 1 332.496 1.537 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)c1ccnc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000894251092 591247124 /nfs/dbraw/zinc/24/71/24/591247124.db2.gz GSTWHJLOYRIKDU-HOTGVXAUSA-N 2 1 332.496 1.537 20 0 EDADMP CN(C[C@@H]1CCC[NH+]1C)c1ccnc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000894251092 591247128 /nfs/dbraw/zinc/24/71/28/591247128.db2.gz GSTWHJLOYRIKDU-HOTGVXAUSA-N 2 1 332.496 1.537 20 0 EDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895692383 591250681 /nfs/dbraw/zinc/25/06/81/591250681.db2.gz QPIPFKJCIMWLRY-IAGOWNOFSA-N 2 1 344.471 1.910 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)cc(C(F)(F)F)n1 ZINC000895772226 591270108 /nfs/dbraw/zinc/27/01/08/591270108.db2.gz YLYBMVCYCKZFPR-WDEREUQCSA-N 2 1 344.385 1.727 20 0 EDADMP C[NH+]1CC[C@H]1CNc1cc(C(F)(F)F)nc(NC[C@H]2CC[N@@H+]2C)n1 ZINC000895772226 591270110 /nfs/dbraw/zinc/27/01/10/591270110.db2.gz YLYBMVCYCKZFPR-WDEREUQCSA-N 2 1 344.385 1.727 20 0 EDADMP C[NH+]1CC[C@H]1CNc1cc(C(F)(F)F)nc(NC[C@H]2CC[N@H+]2C)n1 ZINC000895772226 591270113 /nfs/dbraw/zinc/27/01/13/591270113.db2.gz YLYBMVCYCKZFPR-WDEREUQCSA-N 2 1 344.385 1.727 20 0 EDADMP Cc1noc2ncc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc12 ZINC000894333275 591281682 /nfs/dbraw/zinc/28/16/82/591281682.db2.gz VOOJIHKCBTYOJZ-SJORKVTESA-N 2 1 330.432 1.999 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000898585407 591423203 /nfs/dbraw/zinc/42/32/03/591423203.db2.gz VKNKEDLLLCFWPG-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000898585407 591423207 /nfs/dbraw/zinc/42/32/07/591423207.db2.gz VKNKEDLLLCFWPG-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC000898585490 591423570 /nfs/dbraw/zinc/42/35/70/591423570.db2.gz ZQTFNOMEYKAJBX-YOEHRIQHSA-N 2 1 346.475 1.249 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC000898585490 591423571 /nfs/dbraw/zinc/42/35/71/591423571.db2.gz ZQTFNOMEYKAJBX-YOEHRIQHSA-N 2 1 346.475 1.249 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC[NH+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000898592833 591426916 /nfs/dbraw/zinc/42/69/16/591426916.db2.gz OYZUSEDYFQQVLF-IYBDPMFKSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCC[NH+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000898592833 591426918 /nfs/dbraw/zinc/42/69/18/591426918.db2.gz OYZUSEDYFQQVLF-IYBDPMFKSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000898592833 591426921 /nfs/dbraw/zinc/42/69/21/591426921.db2.gz OYZUSEDYFQQVLF-IYBDPMFKSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)NCC[N@H+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000898592833 591426922 /nfs/dbraw/zinc/42/69/22/591426922.db2.gz OYZUSEDYFQQVLF-IYBDPMFKSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000896353635 591434580 /nfs/dbraw/zinc/43/45/80/591434580.db2.gz YOBFBWFSMONHKN-LMMKCTJWSA-N 2 1 349.519 1.820 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000897439295 591451887 /nfs/dbraw/zinc/45/18/87/591451887.db2.gz UMQYSFNUEQOXHT-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000897439296 591452220 /nfs/dbraw/zinc/45/22/20/591452220.db2.gz UMQYSFNUEQOXHT-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000897480421 591485214 /nfs/dbraw/zinc/48/52/14/591485214.db2.gz ZPLHKWBEQLSOTQ-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000897480421 591485219 /nfs/dbraw/zinc/48/52/19/591485219.db2.gz ZPLHKWBEQLSOTQ-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H]1CCC[NH+]1CCNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000897480421 591485224 /nfs/dbraw/zinc/48/52/24/591485224.db2.gz ZPLHKWBEQLSOTQ-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000897480421 591485229 /nfs/dbraw/zinc/48/52/29/591485229.db2.gz ZPLHKWBEQLSOTQ-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000897480421 591485233 /nfs/dbraw/zinc/48/52/33/591485233.db2.gz ZPLHKWBEQLSOTQ-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CSC1(CNC(=O)NCC[N@H+]2CC[C@H](C)C2)CC[NH+](C)CC1 ZINC000894951912 591497590 /nfs/dbraw/zinc/49/75/90/591497590.db2.gz YAQNYCLUIOADTO-AWEZNQCLSA-N 2 1 328.526 1.455 20 0 EDADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896541880 591505632 /nfs/dbraw/zinc/50/56/32/591505632.db2.gz JCUVUSCTCUKIOV-APWZRJJASA-N 2 1 344.503 1.647 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897545403 591545198 /nfs/dbraw/zinc/54/51/98/591545198.db2.gz NPAYDDNCZWZQRL-QGZVFWFLSA-N 2 1 342.528 1.718 20 0 EDADMP C[NH+]1CCC2(CCN2C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000896749208 591602766 /nfs/dbraw/zinc/60/27/66/591602766.db2.gz OQMYMJGBXQGBGL-INIZCTEOSA-N 2 1 336.480 1.119 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000898990121 591627431 /nfs/dbraw/zinc/62/74/31/591627431.db2.gz YJEQUVFRWSAPKK-GVDBMIGSSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895607241 591820676 /nfs/dbraw/zinc/82/06/76/591820676.db2.gz VVRFOBGDWULQCR-NRKLIOEPSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895607241 591820678 /nfs/dbraw/zinc/82/06/78/591820678.db2.gz VVRFOBGDWULQCR-NRKLIOEPSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895607241 591820680 /nfs/dbraw/zinc/82/06/80/591820680.db2.gz VVRFOBGDWULQCR-NRKLIOEPSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000895607241 591820682 /nfs/dbraw/zinc/82/06/82/591820682.db2.gz VVRFOBGDWULQCR-NRKLIOEPSA-N 2 1 338.496 1.362 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000900023492 591871380 /nfs/dbraw/zinc/87/13/80/591871380.db2.gz MFVNPEMZNKZDBA-ZWKOTPCHSA-N 2 1 334.508 1.243 20 0 EDADMP CC[NH+]1CCC([NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1 ZINC000898366977 591892725 /nfs/dbraw/zinc/89/27/25/591892725.db2.gz JIKJFBCVXDYCBA-LBPRGKRZSA-N 2 1 325.844 1.488 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000899808145 591945355 /nfs/dbraw/zinc/94/53/55/591945355.db2.gz ATPFZBVEBPKWQK-HOTGVXAUSA-N 2 1 332.448 1.087 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900214852 591945371 /nfs/dbraw/zinc/94/53/71/591945371.db2.gz IJXBRBANLTXLOD-SCTDSRPQSA-N 2 1 339.524 1.708 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900214852 591945374 /nfs/dbraw/zinc/94/53/74/591945374.db2.gz IJXBRBANLTXLOD-SCTDSRPQSA-N 2 1 339.524 1.708 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900214852 591945375 /nfs/dbraw/zinc/94/53/75/591945375.db2.gz IJXBRBANLTXLOD-SCTDSRPQSA-N 2 1 339.524 1.708 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000900199165 591948206 /nfs/dbraw/zinc/94/82/06/591948206.db2.gz QRBUZXYXFCEWDN-ROUUACIJSA-N 2 1 338.540 1.782 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000900199165 591948207 /nfs/dbraw/zinc/94/82/07/591948207.db2.gz QRBUZXYXFCEWDN-ROUUACIJSA-N 2 1 338.540 1.782 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000900199165 591948209 /nfs/dbraw/zinc/94/82/09/591948209.db2.gz QRBUZXYXFCEWDN-ROUUACIJSA-N 2 1 338.540 1.782 20 0 EDADMP C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)C1([NH3+])CC1 ZINC000902350890 591984933 /nfs/dbraw/zinc/98/49/33/591984933.db2.gz CPRWQMDQPWOLRK-GHMZBOCLSA-N 2 1 329.238 1.658 20 0 EDADMP C[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)C1([NH3+])CC1 ZINC000902360601 591986141 /nfs/dbraw/zinc/98/61/41/591986141.db2.gz HPUAURRBTWAENL-AWEZNQCLSA-N 2 1 337.489 1.582 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC[C@]([NH3+])(CO)C2)cc[nH+]1 ZINC000900375844 592000636 /nfs/dbraw/zinc/00/06/36/592000636.db2.gz MGNOTQJMQQWBQD-QILLFSRXSA-N 2 1 349.479 1.382 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900429339 592015889 /nfs/dbraw/zinc/01/58/89/592015889.db2.gz PATWURJSPKMLLA-SFNKJDCFSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900429339 592015890 /nfs/dbraw/zinc/01/58/90/592015890.db2.gz PATWURJSPKMLLA-SFNKJDCFSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900429339 592015891 /nfs/dbraw/zinc/01/58/91/592015891.db2.gz PATWURJSPKMLLA-SFNKJDCFSA-N 2 1 337.508 1.697 20 0 EDADMP C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000900477335 592029149 /nfs/dbraw/zinc/02/91/49/592029149.db2.gz CFSIWMYJBJKQIH-KUHUBIRLSA-N 2 1 348.491 1.458 20 0 EDADMP C[C@H](NC(=O)Cc1c[nH]cn1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000900475007 592035382 /nfs/dbraw/zinc/03/53/82/592035382.db2.gz XHPYZMQOUDAOEF-ZDUSSCGKSA-N 2 1 345.422 1.721 20 0 EDADMP [NH2+]=C(NOCc1cnnn1-c1ccccc1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902807478 592063849 /nfs/dbraw/zinc/06/38/49/592063849.db2.gz HOPURKGMXOHXNS-GOEBONIOSA-N 2 1 342.403 1.129 20 0 EDADMP COC(=O)c1ccc(CONC(=[NH2+])[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000902809141 592067705 /nfs/dbraw/zinc/06/77/05/592067705.db2.gz BSURWMZIEBWYSM-LSDHHAIUSA-N 2 1 333.388 1.335 20 0 EDADMP CS(=O)(=O)N1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903083709 592117374 /nfs/dbraw/zinc/11/73/74/592117374.db2.gz MFITVSZJGWDCPS-WPXLMEDKSA-N 2 1 327.494 1.158 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903091136 592118515 /nfs/dbraw/zinc/11/85/15/592118515.db2.gz NSVGJMSNFHMMJH-RRFJBIMHSA-N 2 1 339.480 1.885 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903091136 592118516 /nfs/dbraw/zinc/11/85/16/592118516.db2.gz NSVGJMSNFHMMJH-RRFJBIMHSA-N 2 1 339.480 1.885 20 0 EDADMP O=S(=O)(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N1CCCC1 ZINC000903291116 592154621 /nfs/dbraw/zinc/15/46/21/592154621.db2.gz PDOHBUXLSVHYNS-VHRNVKJDSA-N 2 1 327.494 1.159 20 0 EDADMP O=S(=O)(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N1CCCC1 ZINC000903291116 592154623 /nfs/dbraw/zinc/15/46/23/592154623.db2.gz PDOHBUXLSVHYNS-VHRNVKJDSA-N 2 1 327.494 1.159 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000900882141 592155954 /nfs/dbraw/zinc/15/59/54/592155954.db2.gz RGIMWLHJXPAMBS-GOSISDBHSA-N 2 1 338.540 1.593 20 0 EDADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCN(C(C)C)CC2)C1 ZINC000900882141 592155956 /nfs/dbraw/zinc/15/59/56/592155956.db2.gz RGIMWLHJXPAMBS-GOSISDBHSA-N 2 1 338.540 1.593 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCN(C(C)C)CC2)C1 ZINC000900882141 592155957 /nfs/dbraw/zinc/15/59/57/592155957.db2.gz RGIMWLHJXPAMBS-GOSISDBHSA-N 2 1 338.540 1.593 20 0 EDADMP C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431012 592168249 /nfs/dbraw/zinc/16/82/49/592168249.db2.gz CSJTVFDCIHGRJR-CVEARBPZSA-N 2 1 346.475 1.521 20 0 EDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000903481121 592177066 /nfs/dbraw/zinc/17/70/66/592177066.db2.gz VMTVLSXNWCRGIL-GFPRJFBKSA-N 2 1 339.281 1.890 20 0 EDADMP FC(F)(F)[C@@H]1CC[C@@H](CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)O1 ZINC000903505603 592181925 /nfs/dbraw/zinc/18/19/25/592181925.db2.gz DVECCZGGZDETSJ-FZKCQIBNSA-N 2 1 347.425 1.997 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C2 ZINC000903491946 592184873 /nfs/dbraw/zinc/18/48/73/592184873.db2.gz HEDMKYBCWGVIAR-AFIMGQEJSA-N 2 1 339.480 1.092 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC000903491780 592184878 /nfs/dbraw/zinc/18/48/78/592184878.db2.gz APJGDDYOWOGAKV-JOQOYGCGSA-N 2 1 336.407 1.807 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCCO[C@H]2CCCC[C@H]2C)C[C@H]1CC[NH3+] ZINC000903496941 592188273 /nfs/dbraw/zinc/18/82/73/592188273.db2.gz KTJUXNNPYVDJKE-VQHPVUNQSA-N 2 1 325.497 1.615 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C[C@H]1CC[NH3+] ZINC000903497250 592188448 /nfs/dbraw/zinc/18/84/48/592188448.db2.gz RKICUXQHOUHCJS-ZIAGYGMSSA-N 2 1 347.488 1.848 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1CC[NH3+] ZINC000903496983 592188557 /nfs/dbraw/zinc/18/85/57/592188557.db2.gz MEPDGYIPQFBQRW-HZPDHXFCSA-N 2 1 348.466 1.391 20 0 EDADMP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)C[C@@H](C)O1 ZINC000900981495 592189032 /nfs/dbraw/zinc/18/90/32/592189032.db2.gz SQVSBNBDZZEZKI-BZUAXINKSA-N 2 1 325.497 1.865 20 0 EDADMP O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)NCc1cccs1 ZINC000903511783 592191394 /nfs/dbraw/zinc/19/13/94/592191394.db2.gz ZROKGWAIEBWQQS-IYBDPMFKSA-N 2 1 348.516 1.265 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)CC1 ZINC000903546402 592204395 /nfs/dbraw/zinc/20/43/95/592204395.db2.gz MEBKNFXLJMWWSR-AWEZNQCLSA-N 2 1 329.510 1.394 20 0 EDADMP C[N@H+](CCO)Cc1cc(NC(=O)C23CC[NH+](CC2)C3)ccc1Cl ZINC000907957666 592233502 /nfs/dbraw/zinc/23/35/02/592233502.db2.gz PSBOPIWXYJYDFH-UHFFFAOYSA-N 2 1 337.851 1.798 20 0 EDADMP C[N@@H+](CCO)Cc1cc(NC(=O)C23CC[NH+](CC2)C3)ccc1Cl ZINC000907957666 592233505 /nfs/dbraw/zinc/23/35/05/592233505.db2.gz PSBOPIWXYJYDFH-UHFFFAOYSA-N 2 1 337.851 1.798 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906652578 592235885 /nfs/dbraw/zinc/23/58/85/592235885.db2.gz MWWNQIHETZHOKG-OAHLLOKOSA-N 2 1 332.448 1.465 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@H+]1C ZINC000906663057 592245070 /nfs/dbraw/zinc/24/50/70/592245070.db2.gz CMLUICFJCMLMHK-CZUORRHYSA-N 2 1 346.475 1.760 20 0 EDADMP C[C@@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000901138858 592256147 /nfs/dbraw/zinc/25/61/47/592256147.db2.gz DDWAVIBAWPEFMN-CJNGLKHVSA-N 2 1 330.432 1.740 20 0 EDADMP C[C@@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000901138858 592256151 /nfs/dbraw/zinc/25/61/51/592256151.db2.gz DDWAVIBAWPEFMN-CJNGLKHVSA-N 2 1 330.432 1.740 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000901153498 592264195 /nfs/dbraw/zinc/26/41/95/592264195.db2.gz WSSREZUMMSKTCZ-FUHWJXTLSA-N 2 1 325.497 1.317 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000901153498 592264197 /nfs/dbraw/zinc/26/41/97/592264197.db2.gz WSSREZUMMSKTCZ-FUHWJXTLSA-N 2 1 325.497 1.317 20 0 EDADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000901153498 592264199 /nfs/dbraw/zinc/26/41/99/592264199.db2.gz WSSREZUMMSKTCZ-FUHWJXTLSA-N 2 1 325.497 1.317 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000901196482 592281819 /nfs/dbraw/zinc/28/18/19/592281819.db2.gz AJRNQRWREUIPIY-HXUWFJFHSA-N 2 1 347.503 1.860 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901196482 592281822 /nfs/dbraw/zinc/28/18/22/592281822.db2.gz AJRNQRWREUIPIY-HXUWFJFHSA-N 2 1 347.503 1.860 20 0 EDADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000901196482 592281825 /nfs/dbraw/zinc/28/18/25/592281825.db2.gz AJRNQRWREUIPIY-HXUWFJFHSA-N 2 1 347.503 1.860 20 0 EDADMP COCCOCC[N@H+](Cc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732260 592288495 /nfs/dbraw/zinc/28/84/95/592288495.db2.gz DRZYZTGLBMVRDR-PMACEKPBSA-N 2 1 348.487 1.920 20 0 EDADMP c1nnc([C@@H]2CCC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1C1CC1 ZINC000903751339 592295472 /nfs/dbraw/zinc/29/54/72/592295472.db2.gz CZQSQYOBARNZPQ-KYJSFNMBSA-N 2 1 331.464 1.561 20 0 EDADMP CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903753941 592303690 /nfs/dbraw/zinc/30/36/90/592303690.db2.gz ZGGJXJSQRXUMEO-HUUCEWRRSA-N 2 1 325.453 1.356 20 0 EDADMP c1ccc(CN2CC[C@H]3C[N@H+](C[C@@H]4C[C@@]5(CC[NH2+]C5)CO4)C[C@H]32)cc1 ZINC000903763010 592307518 /nfs/dbraw/zinc/30/75/18/592307518.db2.gz GSUSHWNMOHOZCU-UWHLTILDSA-N 2 1 341.499 1.961 20 0 EDADMP c1ccc(C[N@H+]2CC[C@H]3CN(C[C@@H]4C[C@@]5(CC[NH2+]C5)CO4)C[C@H]32)cc1 ZINC000903763010 592307524 /nfs/dbraw/zinc/30/75/24/592307524.db2.gz GSUSHWNMOHOZCU-UWHLTILDSA-N 2 1 341.499 1.961 20 0 EDADMP c1ccc(C[N@@H+]2CC[C@H]3CN(C[C@@H]4C[C@@]5(CC[NH2+]C5)CO4)C[C@H]32)cc1 ZINC000903763010 592307530 /nfs/dbraw/zinc/30/75/30/592307530.db2.gz GSUSHWNMOHOZCU-UWHLTILDSA-N 2 1 341.499 1.961 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc(C4=CCC[NH2+]CC4)n3)cn2)CC1 ZINC000904660460 592307991 /nfs/dbraw/zinc/30/79/91/592307991.db2.gz VGRWDUHITZSVMZ-UHFFFAOYSA-N 2 1 340.431 1.650 20 0 EDADMP CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903777668 592319230 /nfs/dbraw/zinc/31/92/30/592319230.db2.gz CBFOUZDNMYBTLK-HOTGVXAUSA-N 2 1 335.452 1.191 20 0 EDADMP CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903777668 592319235 /nfs/dbraw/zinc/31/92/35/592319235.db2.gz CBFOUZDNMYBTLK-HOTGVXAUSA-N 2 1 335.452 1.191 20 0 EDADMP COC(=O)C(C)(C)C[N@@H+](CC(C)C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903783751 592322327 /nfs/dbraw/zinc/32/23/27/592322327.db2.gz BSFUEIYRNVZVOB-YJBOKZPZSA-N 2 1 326.481 1.912 20 0 EDADMP C[NH2+]CCN(C(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)C(C)C ZINC000903809435 592330071 /nfs/dbraw/zinc/33/00/71/592330071.db2.gz SILLMIFVYFCRFV-UHFFFAOYSA-N 2 1 340.512 1.022 20 0 EDADMP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903819512 592331892 /nfs/dbraw/zinc/33/18/92/592331892.db2.gz JLZAHISVTVLEDU-SFHVURJKSA-N 2 1 348.487 1.888 20 0 EDADMP Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903819512 592331898 /nfs/dbraw/zinc/33/18/98/592331898.db2.gz JLZAHISVTVLEDU-SFHVURJKSA-N 2 1 348.487 1.888 20 0 EDADMP CC(C)([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)C(=O)Nc1ccccc1 ZINC000903899765 592370367 /nfs/dbraw/zinc/37/03/67/592370367.db2.gz UKQHHXJDFYPHBZ-HNNXBMFYSA-N 2 1 342.447 1.710 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000903902568 592371897 /nfs/dbraw/zinc/37/18/97/592371897.db2.gz JTYQGUSQMLJKTP-CVEARBPZSA-N 2 1 349.479 1.220 20 0 EDADMP Cc1cnn(CC2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000903904403 592373092 /nfs/dbraw/zinc/37/30/92/592373092.db2.gz UGYCOYOFBVOCGX-KRWDZBQOSA-N 2 1 343.479 1.620 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CCCC[C@@]4(CC[NH2+]C4)C3)cn2)CC1 ZINC000903959103 592389880 /nfs/dbraw/zinc/38/98/80/592389880.db2.gz AKKJNIBVEMSVEM-IBGZPJMESA-N 2 1 344.507 1.194 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000905067915 592400446 /nfs/dbraw/zinc/40/04/46/592400446.db2.gz RIOHCQJDYSZJLE-UHFFFAOYSA-N 2 1 344.503 1.261 20 0 EDADMP COc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000905149519 592439260 /nfs/dbraw/zinc/43/92/60/592439260.db2.gz QPDQEFXBGURVQR-WMZOPIPTSA-N 2 1 346.475 1.835 20 0 EDADMP C[C@]1(C[NH2+]C[C@@H](O)C2(O)CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905243990 592474786 /nfs/dbraw/zinc/47/47/86/592474786.db2.gz NYPWUBKCHDTZCX-RTBURBONSA-N 2 1 348.487 1.391 20 0 EDADMP CC[NH+](CC)CCOc1cccc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC000907093589 592505853 /nfs/dbraw/zinc/50/58/53/592505853.db2.gz ZNEQYKBTVVIKFZ-VQIMIIECSA-N 2 1 349.475 1.801 20 0 EDADMP CC[NH+](CC)CCOc1cccc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)c1 ZINC000907093589 592505855 /nfs/dbraw/zinc/50/58/55/592505855.db2.gz ZNEQYKBTVVIKFZ-VQIMIIECSA-N 2 1 349.475 1.801 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000905362864 592515865 /nfs/dbraw/zinc/51/58/65/592515865.db2.gz WYFHOXZEVACLDC-UHFFFAOYSA-N 2 1 341.521 1.154 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)C1 ZINC000908610593 592553477 /nfs/dbraw/zinc/55/34/77/592553477.db2.gz PNGAQRFEGSHXQQ-MRXNPFEDSA-N 2 1 325.497 1.460 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1CC1 ZINC000905585611 592582251 /nfs/dbraw/zinc/58/22/51/592582251.db2.gz LEIUPVVXUJIZMN-FPCVCCKLSA-N 2 1 339.480 1.144 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1CC1 ZINC000905585611 592582255 /nfs/dbraw/zinc/58/22/55/592582255.db2.gz LEIUPVVXUJIZMN-FPCVCCKLSA-N 2 1 339.480 1.144 20 0 EDADMP Cc1cc(N2CCC[C@@H]([NH2+]C[C@H](O)C3(O)CCCC3)C2)nc(C)[nH+]1 ZINC000905931763 592687261 /nfs/dbraw/zinc/68/72/61/592687261.db2.gz MCEITWZNGVTAJB-CVEARBPZSA-N 2 1 334.464 1.318 20 0 EDADMP C[C@@H](CNC(=O)C1CN(C)CC[NH+](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000906029116 592720597 /nfs/dbraw/zinc/72/05/97/592720597.db2.gz HMAZPLRRHSRKIW-INIZCTEOSA-N 2 1 344.503 1.043 20 0 EDADMP C[C@@H](CNC(=O)C1CN(C)CC[NH+](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000906029116 592720601 /nfs/dbraw/zinc/72/06/01/592720601.db2.gz HMAZPLRRHSRKIW-INIZCTEOSA-N 2 1 344.503 1.043 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000907614985 592741209 /nfs/dbraw/zinc/74/12/09/592741209.db2.gz SLSASRJAAWYUPL-UHFFFAOYSA-N 2 1 338.540 1.735 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC000906489359 592830910 /nfs/dbraw/zinc/83/09/10/592830910.db2.gz SQERBSKWGPHGNG-GVDBMIGSSA-N 2 1 325.497 1.676 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C2CC2)c1N ZINC000906489035 592831148 /nfs/dbraw/zinc/83/11/48/592831148.db2.gz RLLOHSYURQKYJZ-OAHLLOKOSA-N 2 1 348.495 1.288 20 0 EDADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCC([NH+]2CCCOCC2)CC1 ZINC000910366810 592845543 /nfs/dbraw/zinc/84/55/43/592845543.db2.gz UHOCCTHORDDLII-MSOLQXFVSA-N 2 1 335.492 1.717 20 0 EDADMP O=C([C@@H]1CC[C@H]2CCCC[NH+]21)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000910366810 592845544 /nfs/dbraw/zinc/84/55/44/592845544.db2.gz UHOCCTHORDDLII-MSOLQXFVSA-N 2 1 335.492 1.717 20 0 EDADMP O=C([C@@H]1CC[C@H]2CCCC[NH+]21)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000910366810 592845546 /nfs/dbraw/zinc/84/55/46/592845546.db2.gz UHOCCTHORDDLII-MSOLQXFVSA-N 2 1 335.492 1.717 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([N@H+]3CCCOCC3)CC2)C1 ZINC000910366183 592845657 /nfs/dbraw/zinc/84/56/57/592845657.db2.gz CNCRCNMFDBLYAM-KRWDZBQOSA-N 2 1 337.508 1.822 20 0 EDADMP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000906644982 592865845 /nfs/dbraw/zinc/86/58/45/592865845.db2.gz HSUVSYXCJVWOMB-JKSUJKDBSA-N 2 1 344.459 1.562 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cnn(COC)c3)CC2)CC1 ZINC000910630815 592880963 /nfs/dbraw/zinc/88/09/63/592880963.db2.gz FJJBOZIJJOGZAT-UHFFFAOYSA-N 2 1 349.479 1.622 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCN1CCO[C@@H](C)C1 ZINC000731281971 592923763 /nfs/dbraw/zinc/92/37/63/592923763.db2.gz CYHQIUCSCDLFCG-IRXDYDNUSA-N 2 1 340.512 1.661 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912030724 593050003 /nfs/dbraw/zinc/05/00/03/593050003.db2.gz ZQVDTOGWDAZZNN-IRXDYDNUSA-N 2 1 337.508 1.903 20 0 EDADMP Cn1cnc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000808378338 593256114 /nfs/dbraw/zinc/25/61/14/593256114.db2.gz LICFTAJHPKKITE-IBGZPJMESA-N 2 1 327.476 1.889 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000809571883 593346794 /nfs/dbraw/zinc/34/67/94/593346794.db2.gz DIUJAHFRNVEEFD-OAHLLOKOSA-N 2 1 337.537 1.417 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)s1 ZINC000809571883 593346796 /nfs/dbraw/zinc/34/67/96/593346796.db2.gz DIUJAHFRNVEEFD-OAHLLOKOSA-N 2 1 337.537 1.417 20 0 EDADMP O=C1[C@H]2CCC[C@@H]2CN1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000840018664 593380111 /nfs/dbraw/zinc/38/01/11/593380111.db2.gz ONARFJGVQNVMGF-AEFFLSMTSA-N 2 1 335.492 1.779 20 0 EDADMP O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccc(CN2CCOCC2)cc1 ZINC000817275405 593587169 /nfs/dbraw/zinc/58/71/69/593587169.db2.gz GPULUBMLAOFSBJ-IBGZPJMESA-N 2 1 330.428 1.800 20 0 EDADMP O=C1OCC[C@@]12CCC[N@H+]2Cc1ccc(CN2CCOCC2)cc1 ZINC000817275405 593587170 /nfs/dbraw/zinc/58/71/70/593587170.db2.gz GPULUBMLAOFSBJ-IBGZPJMESA-N 2 1 330.428 1.800 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)cn2cc[nH+]c12 ZINC000815530327 593641289 /nfs/dbraw/zinc/64/12/89/593641289.db2.gz GROUKTZGXGIHDC-CYBMUJFWSA-N 2 1 329.404 1.182 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H]2C)cn2cc[nH+]c12 ZINC000815530327 593641291 /nfs/dbraw/zinc/64/12/91/593641291.db2.gz GROUKTZGXGIHDC-CYBMUJFWSA-N 2 1 329.404 1.182 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000818997471 593733088 /nfs/dbraw/zinc/73/30/88/593733088.db2.gz BNDRYMRBYUXTMS-IAGOWNOFSA-N 2 1 337.439 1.391 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000818997471 593733089 /nfs/dbraw/zinc/73/30/89/593733089.db2.gz BNDRYMRBYUXTMS-IAGOWNOFSA-N 2 1 337.439 1.391 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)COCc1ccccc1 ZINC000819060406 593736549 /nfs/dbraw/zinc/73/65/49/593736549.db2.gz HRJGQVXKIQYDET-UXHICEINSA-N 2 1 348.487 1.797 20 0 EDADMP CCOC(=O)N1CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000819238977 593745998 /nfs/dbraw/zinc/74/59/98/593745998.db2.gz NYCHQBOYNKEFIW-SJORKVTESA-N 2 1 335.448 1.300 20 0 EDADMP CCOC(=O)N1CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000819238977 593745999 /nfs/dbraw/zinc/74/59/99/593745999.db2.gz NYCHQBOYNKEFIW-SJORKVTESA-N 2 1 335.448 1.300 20 0 EDADMP CCOC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000819238975 593746054 /nfs/dbraw/zinc/74/60/54/593746054.db2.gz NYCHQBOYNKEFIW-IRXDYDNUSA-N 2 1 335.448 1.300 20 0 EDADMP CCOC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000819238975 593746055 /nfs/dbraw/zinc/74/60/55/593746055.db2.gz NYCHQBOYNKEFIW-IRXDYDNUSA-N 2 1 335.448 1.300 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H](O)C1CCCCC1 ZINC000820074096 593788588 /nfs/dbraw/zinc/78/85/88/593788588.db2.gz GMLVMAJBTJHZLA-DOTOQJQBSA-N 2 1 342.528 1.499 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H](O)C1CCCCC1 ZINC000820074096 593788589 /nfs/dbraw/zinc/78/85/89/593788589.db2.gz GMLVMAJBTJHZLA-DOTOQJQBSA-N 2 1 342.528 1.499 20 0 EDADMP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)cc1-c1nn[nH]n1 ZINC000821814312 593947289 /nfs/dbraw/zinc/94/72/89/593947289.db2.gz ZZILZFIFZSJHSC-UHFFFAOYSA-N 2 1 341.419 1.950 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821160293 593978950 /nfs/dbraw/zinc/97/89/50/593978950.db2.gz IZGBEVNGPRLFHT-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821160293 593978952 /nfs/dbraw/zinc/97/89/52/593978952.db2.gz IZGBEVNGPRLFHT-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821160293 593978953 /nfs/dbraw/zinc/97/89/53/593978953.db2.gz IZGBEVNGPRLFHT-OAHLLOKOSA-N 2 1 344.463 1.909 20 0 EDADMP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821267092 594002794 /nfs/dbraw/zinc/00/27/94/594002794.db2.gz JZNJHUZYYAEGSG-LBPRGKRZSA-N 2 1 335.481 1.044 20 0 EDADMP CC(C)[C@@H]1C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000824825616 594080621 /nfs/dbraw/zinc/08/06/21/594080621.db2.gz CDCZCIACVFKLTI-ULQDDVLXSA-N 2 1 327.513 1.826 20 0 EDADMP CC(C)[C@@H]1C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000824825616 594080623 /nfs/dbraw/zinc/08/06/23/594080623.db2.gz CDCZCIACVFKLTI-ULQDDVLXSA-N 2 1 327.513 1.826 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc(CCCCC[NH3+])n3)cn2)CC1 ZINC000822950858 594127336 /nfs/dbraw/zinc/12/73/36/594127336.db2.gz DCRAIAYYUCHZBW-UHFFFAOYSA-N 2 1 344.463 1.945 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc([C@@H]4CCC[NH2+]C4)n3)cn2)CC1 ZINC000822951610 594127907 /nfs/dbraw/zinc/12/79/07/594127907.db2.gz VMCXXOHFNYPYIG-OAHLLOKOSA-N 2 1 342.447 1.741 20 0 EDADMP C[NH+]1CCN(c2ccc(NC(=O)[C@]3(F)CC[NH2+]C3)cc2Cl)CC1 ZINC000828053969 594331652 /nfs/dbraw/zinc/33/16/52/594331652.db2.gz KUWWHRKTOSDUSP-INIZCTEOSA-N 2 1 340.830 1.732 20 0 EDADMP Cc1ccc(CN2CCO[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000826600204 594536876 /nfs/dbraw/zinc/53/68/76/594536876.db2.gz ZUCKPEDPHZGSPW-OALUTQOASA-N 2 1 345.487 1.796 20 0 EDADMP Cc1ccc(CN2CCO[C@@H](CNC(=O)[C@@H]3CCCCN3C)C2)cc1 ZINC000826600204 594536880 /nfs/dbraw/zinc/53/68/80/594536880.db2.gz ZUCKPEDPHZGSPW-OALUTQOASA-N 2 1 345.487 1.796 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000827247513 594656127 /nfs/dbraw/zinc/65/61/27/594656127.db2.gz XCIYOAKHKRCZJU-YRXWBPOGSA-N 2 1 327.472 1.884 20 0 EDADMP C[NH+]1C[C@H](C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)[C@@H](c2ccccc2)C1 ZINC000827247513 594656128 /nfs/dbraw/zinc/65/61/28/594656128.db2.gz XCIYOAKHKRCZJU-YRXWBPOGSA-N 2 1 327.472 1.884 20 0 EDADMP C[NH+]1C[C@H](C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)[C@@H](c2ccccc2)C1 ZINC000827247513 594656129 /nfs/dbraw/zinc/65/61/29/594656129.db2.gz XCIYOAKHKRCZJU-YRXWBPOGSA-N 2 1 327.472 1.884 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCc4ccccc4C3)CC[C@@H]21 ZINC000827277555 594658234 /nfs/dbraw/zinc/65/82/34/594658234.db2.gz MSMGNPPFRIJKPV-MOPGFXCFSA-N 2 1 327.472 1.987 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+]3CCc4ccccc4C3)CC[C@@H]21 ZINC000827277555 594658235 /nfs/dbraw/zinc/65/82/35/594658235.db2.gz MSMGNPPFRIJKPV-MOPGFXCFSA-N 2 1 327.472 1.987 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+]3CCc4ccccc4C3)CC[C@@H]21 ZINC000827277555 594658236 /nfs/dbraw/zinc/65/82/36/594658236.db2.gz MSMGNPPFRIJKPV-MOPGFXCFSA-N 2 1 327.472 1.987 20 0 EDADMP c1nn(-c2ccccc2)nc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841088266 594849665 /nfs/dbraw/zinc/84/96/65/594849665.db2.gz ZPCKCOUMJSPTAG-UHFFFAOYSA-N 2 1 340.475 1.573 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000841721044 594943052 /nfs/dbraw/zinc/94/30/52/594943052.db2.gz BZHJFTZTULNQBV-IUODEOHRSA-N 2 1 328.420 1.373 20 0 EDADMP Cc1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)c(N(C)C)n1 ZINC000836478723 594967907 /nfs/dbraw/zinc/96/79/07/594967907.db2.gz UMXNYWSOLRUFCH-CQSZACIVSA-N 2 1 335.452 1.424 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc(C[NH2+]CC4CC4)n3)cn2)CC1 ZINC000843206555 595034365 /nfs/dbraw/zinc/03/43/65/595034365.db2.gz YUJXZNUWDOQKFH-UHFFFAOYSA-N 2 1 342.447 1.773 20 0 EDADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)CC[N@H+]1C ZINC000843330474 595076172 /nfs/dbraw/zinc/07/61/72/595076172.db2.gz LDIYLRUHSDDTGA-CXAGYDPISA-N 2 1 345.443 1.874 20 0 EDADMP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843355068 595085436 /nfs/dbraw/zinc/08/54/36/595085436.db2.gz KYNAKGXNOSHQLN-UHFFFAOYSA-N 2 1 332.448 1.529 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C[C@H]21 ZINC000843367142 595089649 /nfs/dbraw/zinc/08/96/49/595089649.db2.gz ADGLSBYPMUQNMM-RAIGVLPGSA-N 2 1 329.404 1.266 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C[C@H]21 ZINC000843367142 595089652 /nfs/dbraw/zinc/08/96/52/595089652.db2.gz ADGLSBYPMUQNMM-RAIGVLPGSA-N 2 1 329.404 1.266 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2cccc(C(N)=O)c2)cc1 ZINC000842471965 595113696 /nfs/dbraw/zinc/11/36/96/595113696.db2.gz JNRTYBXBUAAANY-KRWDZBQOSA-N 2 1 327.428 1.968 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)C1 ZINC000834591537 595169975 /nfs/dbraw/zinc/16/99/75/595169975.db2.gz AIUJXZUKPRNDNJ-GRDNDAEWSA-N 2 1 329.435 1.844 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)C1 ZINC000834591537 595169976 /nfs/dbraw/zinc/16/99/76/595169976.db2.gz AIUJXZUKPRNDNJ-GRDNDAEWSA-N 2 1 329.435 1.844 20 0 EDADMP COc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)ccc1OC(=O)C1CC1 ZINC000843052937 595275812 /nfs/dbraw/zinc/27/58/12/595275812.db2.gz PHIBMYHVRIJLML-UHFFFAOYSA-N 2 1 347.459 1.348 20 0 EDADMP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000843062408 595277817 /nfs/dbraw/zinc/27/78/17/595277817.db2.gz PKVLMIJNRXDXMV-SFHVURJKSA-N 2 1 348.491 1.518 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)CNC[C@H](O)c1ccc(F)cc1 ZINC000843107636 595288246 /nfs/dbraw/zinc/28/82/46/595288246.db2.gz GBKQXNQQHWRURH-MOPGFXCFSA-N 2 1 332.419 1.942 20 0 EDADMP C[NH+](C)CCOc1ccccc1-c1noc(C[NH2+]C[C@H]2CCCO2)n1 ZINC000843187427 595301189 /nfs/dbraw/zinc/30/11/89/595301189.db2.gz PVASJOFLTSFTNG-CQSZACIVSA-N 2 1 346.431 1.946 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000846699359 595303798 /nfs/dbraw/zinc/30/37/98/595303798.db2.gz MMVYQLQWKFIORE-GVDBMIGSSA-N 2 1 334.464 1.859 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000846726225 595308256 /nfs/dbraw/zinc/30/82/56/595308256.db2.gz SSEQNIANCSEEJM-MRXNPFEDSA-N 2 1 340.512 1.071 20 0 EDADMP C[C@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848606495 595417001 /nfs/dbraw/zinc/41/70/01/595417001.db2.gz YBXACPHDIMVJBH-OAGGEKHMSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848606495 595417005 /nfs/dbraw/zinc/41/70/05/595417005.db2.gz YBXACPHDIMVJBH-OAGGEKHMSA-N 2 1 338.496 1.269 20 0 EDADMP C[NH+](C)C1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCCCCC1 ZINC000849053242 595475646 /nfs/dbraw/zinc/47/56/46/595475646.db2.gz PXFWSGLHKADOJT-UHFFFAOYSA-N 3 1 339.528 1.477 20 0 EDADMP C[C@H](O)c1ncc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000857441018 595527696 /nfs/dbraw/zinc/52/76/96/595527696.db2.gz HYKCNJINMBURDX-NSHDSACASA-N 2 1 347.444 1.596 20 0 EDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849549746 595562400 /nfs/dbraw/zinc/56/24/00/595562400.db2.gz WNKZXMOAZJFNDF-RYQLBKOJSA-N 2 1 347.507 1.256 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849549746 595562402 /nfs/dbraw/zinc/56/24/02/595562402.db2.gz WNKZXMOAZJFNDF-RYQLBKOJSA-N 2 1 347.507 1.256 20 0 EDADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849549746 595562405 /nfs/dbraw/zinc/56/24/05/595562405.db2.gz WNKZXMOAZJFNDF-RYQLBKOJSA-N 2 1 347.507 1.256 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000849552415 595563743 /nfs/dbraw/zinc/56/37/43/595563743.db2.gz FVGFLHOHKUWSGF-IXDOHACOSA-N 2 1 333.480 1.008 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[C@@H]1CCC[NH+](C)C1 ZINC000849552415 595563744 /nfs/dbraw/zinc/56/37/44/595563744.db2.gz FVGFLHOHKUWSGF-IXDOHACOSA-N 2 1 333.480 1.008 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[C@@H]1CCC[NH+](C)C1 ZINC000849552415 595563747 /nfs/dbraw/zinc/56/37/47/595563747.db2.gz FVGFLHOHKUWSGF-IXDOHACOSA-N 2 1 333.480 1.008 20 0 EDADMP CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000849594338 595585203 /nfs/dbraw/zinc/58/52/03/595585203.db2.gz WWOMLOLJKWFASG-USXIJHARSA-N 2 1 333.480 1.008 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000849594338 595585207 /nfs/dbraw/zinc/58/52/07/595585207.db2.gz WWOMLOLJKWFASG-USXIJHARSA-N 2 1 333.480 1.008 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000849594338 595585209 /nfs/dbraw/zinc/58/52/09/595585209.db2.gz WWOMLOLJKWFASG-USXIJHARSA-N 2 1 333.480 1.008 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)C=C3CC[NH2+]CC3)CC2)oc1C ZINC000852866842 595586709 /nfs/dbraw/zinc/58/67/09/595586709.db2.gz MGUKOWRPHFHKCY-UHFFFAOYSA-N 2 1 346.475 1.929 20 0 EDADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)C1 ZINC000852872654 595591372 /nfs/dbraw/zinc/59/13/72/595591372.db2.gz PTHIEVNNKMFTJW-CZUORRHYSA-N 2 1 346.431 1.449 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000853052583 595650850 /nfs/dbraw/zinc/65/08/50/595650850.db2.gz WYUFJYSHVMUFAT-HZPDHXFCSA-N 2 1 342.553 1.388 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@H](O)c3ccccn3)CC2)nc(C)[nH+]1 ZINC000853103810 595665473 /nfs/dbraw/zinc/66/54/73/595665473.db2.gz ZHJFDIMGVAYVNT-KRWDZBQOSA-N 2 1 327.432 1.780 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c([nH]c1=O)CCC2 ZINC000855346280 595680278 /nfs/dbraw/zinc/68/02/78/595680278.db2.gz VDUCQFRFHZYHFT-ZDUSSCGKSA-N 2 1 334.464 1.278 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c([nH]c1=O)CCC2 ZINC000855346280 595680282 /nfs/dbraw/zinc/68/02/82/595680282.db2.gz VDUCQFRFHZYHFT-ZDUSSCGKSA-N 2 1 334.464 1.278 20 0 EDADMP Cn1cc(C[NH2+]CCCCN2CC[NH+](C)CC2)c(Br)n1 ZINC000858096978 595699111 /nfs/dbraw/zinc/69/91/11/595699111.db2.gz VRIASRIWIRSTPK-UHFFFAOYSA-N 2 1 344.301 1.300 20 0 EDADMP CN1c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2CCC1=O ZINC000850397054 595827382 /nfs/dbraw/zinc/82/73/82/595827382.db2.gz RWDOWSUNOIIOLE-SFHVURJKSA-N 2 1 343.471 1.939 20 0 EDADMP C[C@H]([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851926338 595974763 /nfs/dbraw/zinc/97/47/63/595974763.db2.gz OKRGQQNPKAAFJW-FTRWYGJKSA-N 2 1 345.487 1.602 20 0 EDADMP C[C@H]([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000851926338 595974764 /nfs/dbraw/zinc/97/47/64/595974764.db2.gz OKRGQQNPKAAFJW-FTRWYGJKSA-N 2 1 345.487 1.602 20 0 EDADMP C[NH+]1CCC2(CCC[N@H+](Cc3coc(S(N)(=O)=O)c3)C2)CC1 ZINC000852009096 596005750 /nfs/dbraw/zinc/00/57/50/596005750.db2.gz YIDOTATVZKGVEI-UHFFFAOYSA-N 2 1 327.450 1.235 20 0 EDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3coc(S(N)(=O)=O)c3)C2)CC1 ZINC000852009096 596005754 /nfs/dbraw/zinc/00/57/54/596005754.db2.gz YIDOTATVZKGVEI-UHFFFAOYSA-N 2 1 327.450 1.235 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3cncn3C)C2)ccn1 ZINC000856584035 596021753 /nfs/dbraw/zinc/02/17/53/596021753.db2.gz CJSDNSBUBHPQDV-IBGZPJMESA-N 2 1 343.475 1.963 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3cncn3C)C2)ccn1 ZINC000856584035 596021757 /nfs/dbraw/zinc/02/17/57/596021757.db2.gz CJSDNSBUBHPQDV-IBGZPJMESA-N 2 1 343.475 1.963 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3cncn3C)C2)ccn1 ZINC000856584035 596021762 /nfs/dbraw/zinc/02/17/62/596021762.db2.gz CJSDNSBUBHPQDV-IBGZPJMESA-N 2 1 343.475 1.963 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[C@H]3CCOC3=O)C2)ccn1 ZINC000856590347 596024676 /nfs/dbraw/zinc/02/46/76/596024676.db2.gz SZPTUKBUGMAXTJ-MAUKXSAKSA-N 2 1 347.459 1.940 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC[C@H]3CCOC3=O)C2)ccn1 ZINC000856590347 596024680 /nfs/dbraw/zinc/02/46/80/596024680.db2.gz SZPTUKBUGMAXTJ-MAUKXSAKSA-N 2 1 347.459 1.940 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC[C@H]3CCOC3=O)C2)ccn1 ZINC000856590347 596024682 /nfs/dbraw/zinc/02/46/82/596024682.db2.gz SZPTUKBUGMAXTJ-MAUKXSAKSA-N 2 1 347.459 1.940 20 0 EDADMP CC(C)NC(=O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597764 596028069 /nfs/dbraw/zinc/02/80/69/596028069.db2.gz MLIRJNDFUDMGKG-SFHVURJKSA-N 2 1 348.491 1.900 20 0 EDADMP CC(C)NC(=O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597764 596028073 /nfs/dbraw/zinc/02/80/73/596028073.db2.gz MLIRJNDFUDMGKG-SFHVURJKSA-N 2 1 348.491 1.900 20 0 EDADMP CC(C)NC(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597764 596028076 /nfs/dbraw/zinc/02/80/76/596028076.db2.gz MLIRJNDFUDMGKG-SFHVURJKSA-N 2 1 348.491 1.900 20 0 EDADMP CC(C)NC(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597764 596028081 /nfs/dbraw/zinc/02/80/81/596028081.db2.gz MLIRJNDFUDMGKG-SFHVURJKSA-N 2 1 348.491 1.900 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CNC(=O)C3)C2)ccn1 ZINC000856605501 596032261 /nfs/dbraw/zinc/03/22/61/596032261.db2.gz CKMGWIBSFZHTBE-YJBOKZPZSA-N 2 1 346.475 1.511 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CNC(=O)C3)C2)ccn1 ZINC000856605501 596032267 /nfs/dbraw/zinc/03/22/67/596032267.db2.gz CKMGWIBSFZHTBE-YJBOKZPZSA-N 2 1 346.475 1.511 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CNC(=O)C3)C2)ccn1 ZINC000856605501 596032271 /nfs/dbraw/zinc/03/22/71/596032271.db2.gz CKMGWIBSFZHTBE-YJBOKZPZSA-N 2 1 346.475 1.511 20 0 EDADMP Cn1cc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Cl)n1 ZINC000856768107 596076761 /nfs/dbraw/zinc/07/67/61/596076761.db2.gz OVLUTZYDPGYMHQ-UHFFFAOYSA-N 2 1 348.882 1.770 20 0 EDADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861712662 596077192 /nfs/dbraw/zinc/07/71/92/596077192.db2.gz RJEZXBZNIPHRNM-BPQIPLTHSA-N 2 1 335.492 1.309 20 0 EDADMP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000861712662 596077194 /nfs/dbraw/zinc/07/71/94/596077194.db2.gz RJEZXBZNIPHRNM-BPQIPLTHSA-N 2 1 335.492 1.309 20 0 EDADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000861712662 596077196 /nfs/dbraw/zinc/07/71/96/596077196.db2.gz RJEZXBZNIPHRNM-BPQIPLTHSA-N 2 1 335.492 1.309 20 0 EDADMP C[NH+](C)CCOCCNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857171232 596174775 /nfs/dbraw/zinc/17/47/75/596174775.db2.gz WGMXTEUANWJHBR-GOSISDBHSA-N 2 1 333.476 1.804 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC2CC([NH+]3CCOCC3)C2)C1 ZINC000862108712 596240626 /nfs/dbraw/zinc/24/06/26/596240626.db2.gz ZJVPNPUHEHIFSG-KVULBXGLSA-N 2 1 327.444 1.178 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC2CC([NH+]3CCOCC3)C2)C1 ZINC000862108712 596240627 /nfs/dbraw/zinc/24/06/27/596240627.db2.gz ZJVPNPUHEHIFSG-KVULBXGLSA-N 2 1 327.444 1.178 20 0 EDADMP CCc1[nH]nc(Cl)c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000862167356 596257695 /nfs/dbraw/zinc/25/76/95/596257695.db2.gz VICHYLMMAFVMRT-NSHDSACASA-N 2 1 329.876 1.627 20 0 EDADMP CCc1[nH]nc(Cl)c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000862167356 596257699 /nfs/dbraw/zinc/25/76/99/596257699.db2.gz VICHYLMMAFVMRT-NSHDSACASA-N 2 1 329.876 1.627 20 0 EDADMP COC(=O)/C=C/c1ccc(OCC[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000866659645 596283320 /nfs/dbraw/zinc/28/33/20/596283320.db2.gz QKTWEPBQPNPDEC-VMPITWQZSA-N 2 1 347.459 1.089 20 0 EDADMP Cc1ccc([C@@H](O)[C@H](C)n2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000864631998 596291151 /nfs/dbraw/zinc/29/11/51/596291151.db2.gz SJWBPDMDICLLEQ-KXBFYZLASA-N 2 1 343.475 1.847 20 0 EDADMP Cc1ccc(OCC[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866706807 596302272 /nfs/dbraw/zinc/30/22/72/596302272.db2.gz DNRHBGDYZAQOJR-OIISXLGYSA-N 2 1 331.416 1.241 20 0 EDADMP NS(=O)(=O)c1cccc2c1CC[N@H+](CCCCCCC[NH3+])C2 ZINC000866714952 596306884 /nfs/dbraw/zinc/30/68/84/596306884.db2.gz DUADLZINONQTHG-UHFFFAOYSA-N 2 1 325.478 1.601 20 0 EDADMP NS(=O)(=O)c1cccc2c1CC[N@@H+](CCCCCCC[NH3+])C2 ZINC000866714952 596306887 /nfs/dbraw/zinc/30/68/87/596306887.db2.gz DUADLZINONQTHG-UHFFFAOYSA-N 2 1 325.478 1.601 20 0 EDADMP C[NH+]1CCN([C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c2cccs2)CC1 ZINC000870854315 596377637 /nfs/dbraw/zinc/37/76/37/596377637.db2.gz UPLOCMXZEVNEHI-LLDVTBCESA-N 2 1 348.516 1.280 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2F)CC1 ZINC000870970018 596422142 /nfs/dbraw/zinc/42/21/42/596422142.db2.gz BQAAQBTTWXNPGN-CTYIDZIISA-N 2 1 334.439 1.435 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H](C)C1CC[NH2+]CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000870986707 596430542 /nfs/dbraw/zinc/43/05/42/596430542.db2.gz SXKYRZRHODUDHA-KCYZZUKISA-N 2 1 325.497 1.625 20 0 EDADMP O=C(/C=C/CN1CCOCC1)NC[C@H]1CCN1Cc1ccccc1 ZINC000869307945 596482236 /nfs/dbraw/zinc/48/22/36/596482236.db2.gz XRXUXCCBCPGJKP-WEBJUUICSA-N 2 1 329.444 1.266 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000871283905 596523050 /nfs/dbraw/zinc/52/30/50/596523050.db2.gz NRXWAOXNKUHTQQ-OALUTQOASA-N 2 1 347.503 1.898 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000871283905 596523052 /nfs/dbraw/zinc/52/30/52/596523052.db2.gz NRXWAOXNKUHTQQ-OALUTQOASA-N 2 1 347.503 1.898 20 0 EDADMP Cn1ncc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cnc21 ZINC000865468905 596583899 /nfs/dbraw/zinc/58/38/99/596583899.db2.gz MGWGAARJTAPAKR-AWEZNQCLSA-N 2 1 329.448 1.559 20 0 EDADMP CC(C)n1nccc1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863643553 596641140 /nfs/dbraw/zinc/64/11/40/596641140.db2.gz NZLDVXPYGDIMME-CVEARBPZSA-N 2 1 333.436 1.221 20 0 EDADMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NCC(F)(F)F ZINC000871785313 596700581 /nfs/dbraw/zinc/70/05/81/596700581.db2.gz IKEVULYYYNRIKB-UBJLHIIHSA-N 2 1 336.358 1.425 20 0 EDADMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)NCC(F)(F)F ZINC000871785313 596700585 /nfs/dbraw/zinc/70/05/85/596700585.db2.gz IKEVULYYYNRIKB-UBJLHIIHSA-N 2 1 336.358 1.425 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000868353477 596797377 /nfs/dbraw/zinc/79/73/77/596797377.db2.gz CMFFWNQEEAZJFA-KSSFIOAISA-N 2 1 328.460 1.957 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000868353477 596797379 /nfs/dbraw/zinc/79/73/79/596797379.db2.gz CMFFWNQEEAZJFA-KSSFIOAISA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000868353477 596797381 /nfs/dbraw/zinc/79/73/81/596797381.db2.gz CMFFWNQEEAZJFA-KSSFIOAISA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000868353477 596797382 /nfs/dbraw/zinc/79/73/82/596797382.db2.gz CMFFWNQEEAZJFA-KSSFIOAISA-N 2 1 328.460 1.957 20 0 EDADMP COC(=O)c1cccc(OCC[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000872150451 596813251 /nfs/dbraw/zinc/81/32/51/596813251.db2.gz FGYQMQZTADIGSS-OCCSQVGLSA-N 2 1 346.349 1.921 20 0 EDADMP COC(=O)c1cccc(OCC[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000872150451 596813253 /nfs/dbraw/zinc/81/32/53/596813253.db2.gz FGYQMQZTADIGSS-OCCSQVGLSA-N 2 1 346.349 1.921 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866262750 596841108 /nfs/dbraw/zinc/84/11/08/596841108.db2.gz FUGQGLRCFBAOJH-MJGOQNOKSA-N 2 1 337.508 1.866 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000872256211 596856276 /nfs/dbraw/zinc/85/62/76/596856276.db2.gz QTGUJAIRPPFPQM-YQYZPQCESA-N 2 1 343.427 1.420 20 0 EDADMP Cc1ccc2ncc(C[N@@H+]3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)n2c1 ZINC000872255868 596856627 /nfs/dbraw/zinc/85/66/27/596856627.db2.gz NFGPRKALEMMHDI-BMFZPTHFSA-N 2 1 341.415 1.010 20 0 EDADMP Cc1ccc2ncc(C[N@H+]3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)n2c1 ZINC000872255868 596856628 /nfs/dbraw/zinc/85/66/28/596856628.db2.gz NFGPRKALEMMHDI-BMFZPTHFSA-N 2 1 341.415 1.010 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@H]1CCCS1 ZINC000875712518 596956340 /nfs/dbraw/zinc/95/63/40/596956340.db2.gz FYQSYWNWIGBDIJ-LSDHHAIUSA-N 2 1 330.542 1.843 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@H]1CCCS1 ZINC000875712518 596956343 /nfs/dbraw/zinc/95/63/43/596956343.db2.gz FYQSYWNWIGBDIJ-LSDHHAIUSA-N 2 1 330.542 1.843 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000876207370 597136707 /nfs/dbraw/zinc/13/67/07/597136707.db2.gz DJAQXVWZSNFQFJ-KRWDZBQOSA-N 2 1 325.416 1.401 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000876207370 597136708 /nfs/dbraw/zinc/13/67/08/597136708.db2.gz DJAQXVWZSNFQFJ-KRWDZBQOSA-N 2 1 325.416 1.401 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876517937 597227879 /nfs/dbraw/zinc/22/78/79/597227879.db2.gz HHBNJUGRUQXIMW-IBGZPJMESA-N 2 1 340.471 1.263 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876517937 597227880 /nfs/dbraw/zinc/22/78/80/597227880.db2.gz HHBNJUGRUQXIMW-IBGZPJMESA-N 2 1 340.471 1.263 20 0 EDADMP c1c(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)sc2c1C[NH2+]CC2 ZINC000873207404 597227908 /nfs/dbraw/zinc/22/79/08/597227908.db2.gz AVNAGSXPCSHNDZ-OAHLLOKOSA-N 2 1 335.517 1.938 20 0 EDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000873227096 597234338 /nfs/dbraw/zinc/23/43/38/597234338.db2.gz GTIAKHYBEFNJHE-TWMKSMIVSA-N 2 1 325.497 1.492 20 0 EDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000873227096 597234341 /nfs/dbraw/zinc/23/43/41/597234341.db2.gz GTIAKHYBEFNJHE-TWMKSMIVSA-N 2 1 325.497 1.492 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)CN2)CC[NH2+]CC1 ZINC000873233986 597235308 /nfs/dbraw/zinc/23/53/08/597235308.db2.gz AQHGZHIEPJCNOA-HUUCEWRRSA-N 2 1 325.497 1.676 20 0 EDADMP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)CC[NH2+]CC1 ZINC000873233986 597235311 /nfs/dbraw/zinc/23/53/11/597235311.db2.gz AQHGZHIEPJCNOA-HUUCEWRRSA-N 3 1 325.497 1.676 20 0 EDADMP Cc1ccc2nc(CNC(=O)N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)cn2c1 ZINC000875133149 597295530 /nfs/dbraw/zinc/29/55/30/597295530.db2.gz YIPWAIJYPNSKAY-GOEBONIOSA-N 2 1 327.432 1.878 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000875152970 597304783 /nfs/dbraw/zinc/30/47/83/597304783.db2.gz WMMWFPSRJMVNLC-QGZVFWFLSA-N 2 1 328.460 1.608 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876733676 597312178 /nfs/dbraw/zinc/31/21/78/597312178.db2.gz FDSKCOMTSKHWAC-RDJZCZTQSA-N 2 1 335.423 1.447 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc1F ZINC000876738171 597314982 /nfs/dbraw/zinc/31/49/82/597314982.db2.gz ZNZDQIYJXWEZAZ-BBRMVZONSA-N 2 1 334.370 1.884 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000876756790 597324727 /nfs/dbraw/zinc/32/47/27/597324727.db2.gz YNXYDBUKXNHHLD-KMFMINBZSA-N 2 1 335.423 1.966 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000876762318 597328460 /nfs/dbraw/zinc/32/84/60/597328460.db2.gz FURUIYYXDGBVOL-IAGOWNOFSA-N 2 1 347.507 1.824 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000876782480 597338371 /nfs/dbraw/zinc/33/83/71/597338371.db2.gz SQKRVWCZUNNRET-UHFFFAOYSA-N 3 1 329.448 1.304 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@]3(C)C[NH2+]CCO3)cc2)CC1 ZINC000876782724 597338637 /nfs/dbraw/zinc/33/86/37/597338637.db2.gz UGCCRKICNPGGGE-SFHVURJKSA-N 2 1 332.448 1.146 20 0 EDADMP CC(C)(C)OC(=O)N1[C@@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)COC1(C)C ZINC000876818207 597351167 /nfs/dbraw/zinc/35/11/67/597351167.db2.gz RQVVMDKXEPJEGR-IHRRRGAJSA-N 2 1 325.453 1.510 20 0 EDADMP [NH3+]C1(CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000876921299 597385800 /nfs/dbraw/zinc/38/58/00/597385800.db2.gz ASMFTWTWEWABJR-IRXDYDNUSA-N 2 1 348.466 1.044 20 0 EDADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000876961786 597398383 /nfs/dbraw/zinc/39/83/83/597398383.db2.gz XDFMHTQKMJRVNN-HTBHXLFOSA-N 2 1 343.471 1.281 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000877016317 597412171 /nfs/dbraw/zinc/41/21/71/597412171.db2.gz LCKCRBFWAHOAFH-OLZOCXBDSA-N 2 1 332.370 1.957 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000877231750 597470637 /nfs/dbraw/zinc/47/06/37/597470637.db2.gz SIQUVRFXVUMSRX-IEBWSBKVSA-N 2 1 345.487 1.702 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000877231750 597470638 /nfs/dbraw/zinc/47/06/38/597470638.db2.gz SIQUVRFXVUMSRX-IEBWSBKVSA-N 2 1 345.487 1.702 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)cc2)CC1 ZINC000877283741 597486587 /nfs/dbraw/zinc/48/65/87/597486587.db2.gz QPASUKAAKRMQPV-MOPGFXCFSA-N 2 1 342.487 1.401 20 0 EDADMP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000877389627 597507571 /nfs/dbraw/zinc/50/75/71/597507571.db2.gz FFNSBZZHPQTXMH-SCTDSRPQSA-N 2 1 328.460 1.694 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)CC1 ZINC000879558326 597631553 /nfs/dbraw/zinc/63/15/53/597631553.db2.gz IRGAMDZJPJMSDX-CABCVRRESA-N 2 1 325.522 1.660 20 0 EDADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000879574537 597637631 /nfs/dbraw/zinc/63/76/31/597637631.db2.gz BDFUQKGAVOHEHW-GOEBONIOSA-N 2 1 330.432 1.140 20 0 EDADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000879574537 597637633 /nfs/dbraw/zinc/63/76/33/597637633.db2.gz BDFUQKGAVOHEHW-GOEBONIOSA-N 2 1 330.432 1.140 20 0 EDADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000879574537 597637635 /nfs/dbraw/zinc/63/76/35/597637635.db2.gz BDFUQKGAVOHEHW-GOEBONIOSA-N 2 1 330.432 1.140 20 0 EDADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000879574537 597637637 /nfs/dbraw/zinc/63/76/37/597637637.db2.gz BDFUQKGAVOHEHW-GOEBONIOSA-N 2 1 330.432 1.140 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1C[C@H](O)CC(C)(C)C1 ZINC000879620840 597661393 /nfs/dbraw/zinc/66/13/93/597661393.db2.gz LNAFEACTKCIXPF-JKSUJKDBSA-N 2 1 346.475 1.212 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(c3cc[nH+]cc3)[C@H](C)C1)C2 ZINC000881634218 597666625 /nfs/dbraw/zinc/66/66/25/597666625.db2.gz XMOCKDOLCLRTTO-ZBFHGGJFSA-N 2 1 339.443 1.886 20 0 EDADMP COC(=O)CN(C)C(=O)CC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702679 597694499 /nfs/dbraw/zinc/69/44/99/597694499.db2.gz URTIORHMGYLDFA-UHFFFAOYSA-N 2 1 341.496 1.308 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883301848 597707470 /nfs/dbraw/zinc/70/74/70/597707470.db2.gz JVXABBLEIUMAQM-WBVHZDCISA-N 2 1 340.512 1.659 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(CC3CC3)C2)[C@H](C)C1 ZINC000883394657 597730919 /nfs/dbraw/zinc/73/09/19/597730919.db2.gz DYUSSIKGWSDAMR-NJAFHUGGSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)o1 ZINC000883435871 597745889 /nfs/dbraw/zinc/74/58/89/597745889.db2.gz FDKUMISHQSVKFT-HNNXBMFYSA-N 2 1 344.463 1.804 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)C[C@H](O)c2ccccc2)CCO1 ZINC000879001240 597781320 /nfs/dbraw/zinc/78/13/20/597781320.db2.gz TWKXOOUVUWBPLE-OTWHNJEPSA-N 2 1 336.476 1.514 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)C[C@H](O)c2ccccc2)CCO1 ZINC000879001240 597781321 /nfs/dbraw/zinc/78/13/21/597781321.db2.gz TWKXOOUVUWBPLE-OTWHNJEPSA-N 2 1 336.476 1.514 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CCC3(CCOCC3)O2)CCO1 ZINC000879001486 597781712 /nfs/dbraw/zinc/78/17/12/597781712.db2.gz YJPPWKFOMSLRIE-IRXDYDNUSA-N 2 1 326.481 1.757 20 0 EDADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)CCO1 ZINC000879001486 597781715 /nfs/dbraw/zinc/78/17/15/597781715.db2.gz YJPPWKFOMSLRIE-IRXDYDNUSA-N 2 1 326.481 1.757 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C[C@H]1[NH3+] ZINC000883586384 597814330 /nfs/dbraw/zinc/81/43/30/597814330.db2.gz KQUUJKKUUHSABM-ZTFGCOKTSA-N 2 1 343.475 1.782 20 0 EDADMP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000883740094 597882893 /nfs/dbraw/zinc/88/28/93/597882893.db2.gz TWRMABVFNNPZCZ-SJORKVTESA-N 2 1 346.475 1.663 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000883740094 597882895 /nfs/dbraw/zinc/88/28/95/597882895.db2.gz TWRMABVFNNPZCZ-SJORKVTESA-N 2 1 346.475 1.663 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000883740094 597882897 /nfs/dbraw/zinc/88/28/97/597882897.db2.gz TWRMABVFNNPZCZ-SJORKVTESA-N 2 1 346.475 1.663 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000883740094 597882899 /nfs/dbraw/zinc/88/28/99/597882899.db2.gz TWRMABVFNNPZCZ-SJORKVTESA-N 2 1 346.475 1.663 20 0 EDADMP OC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1CO ZINC000879366715 597901054 /nfs/dbraw/zinc/90/10/54/597901054.db2.gz QBSSBTQSBZXAIN-RBUKOAKNSA-N 2 1 334.460 1.084 20 0 EDADMP OC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1CO ZINC000879366715 597901055 /nfs/dbraw/zinc/90/10/55/597901055.db2.gz QBSSBTQSBZXAIN-RBUKOAKNSA-N 2 1 334.460 1.084 20 0 EDADMP C[NH2+]CCOc1cccc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000884219263 598032697 /nfs/dbraw/zinc/03/26/97/598032697.db2.gz LHFIVXIKDWAPMH-INIZCTEOSA-N 2 1 333.476 1.993 20 0 EDADMP C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000881019107 598053959 /nfs/dbraw/zinc/05/39/59/598053959.db2.gz GFPOKFOYACAFTH-ATNYBXOESA-N 2 1 347.507 1.273 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000884366785 598082989 /nfs/dbraw/zinc/08/29/89/598082989.db2.gz IQTZYLBSJDWDNM-JKSUJKDBSA-N 2 1 340.537 1.142 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000884366785 598082990 /nfs/dbraw/zinc/08/29/90/598082990.db2.gz IQTZYLBSJDWDNM-JKSUJKDBSA-N 2 1 340.537 1.142 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000916658698 696713609 /nfs/dbraw/zinc/71/36/09/696713609.db2.gz VJOCRMVWJTWSGQ-NZSAHSFTSA-N 2 1 344.503 1.943 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000916658698 696713611 /nfs/dbraw/zinc/71/36/11/696713611.db2.gz VJOCRMVWJTWSGQ-NZSAHSFTSA-N 2 1 344.503 1.943 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000914081390 695078426 /nfs/dbraw/zinc/07/84/26/695078426.db2.gz VPMCAZJILFTWPO-OWCLPIDISA-N 2 1 340.537 1.740 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@@H]2C1)C1CCC1 ZINC000992719479 695235580 /nfs/dbraw/zinc/23/55/80/695235580.db2.gz ZPUKPUYUCXOBBK-BMGDILEWSA-N 2 1 346.475 1.876 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000914248837 695310575 /nfs/dbraw/zinc/31/05/75/695310575.db2.gz XYOYYZXJWKURIW-INIZCTEOSA-N 2 1 335.452 1.134 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000914248837 695310578 /nfs/dbraw/zinc/31/05/78/695310578.db2.gz XYOYYZXJWKURIW-INIZCTEOSA-N 2 1 335.452 1.134 20 0 EDADMP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)NCc1ccn2ccnc2c1 ZINC000914254506 695315815 /nfs/dbraw/zinc/31/58/15/695315815.db2.gz LITSJLBQURDGMU-INIZCTEOSA-N 2 1 334.445 1.240 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000914411090 695392406 /nfs/dbraw/zinc/39/24/06/695392406.db2.gz DMMNKNCCUKCMOA-HOCLYGCPSA-N 2 1 326.485 1.269 20 0 EDADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCC2CCOCC2)C1)[NH+]1CCCC1 ZINC001015497811 695545268 /nfs/dbraw/zinc/54/52/68/695545268.db2.gz GMVJKXAUEVGNSJ-QGZVFWFLSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCc3ccccc3CC1)C2=O ZINC000153176324 695554840 /nfs/dbraw/zinc/55/48/40/695554840.db2.gz HSOHQAQXLKXGBG-UHFFFAOYSA-N 2 1 342.443 1.061 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000915731177 695979673 /nfs/dbraw/zinc/97/96/73/695979673.db2.gz LAQDONYEHVCGFN-MRXNPFEDSA-N 2 1 349.479 1.476 20 0 EDADMP Cc1ncoc1C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993759022 696352065 /nfs/dbraw/zinc/35/20/65/696352065.db2.gz JZGRHCDKZKEXQP-HOCLYGCPSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncoc1C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993759022 696352068 /nfs/dbraw/zinc/35/20/68/696352068.db2.gz JZGRHCDKZKEXQP-HOCLYGCPSA-N 2 1 334.464 1.794 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CCc1cnn(C)c1 ZINC000993759477 696352423 /nfs/dbraw/zinc/35/24/23/696352423.db2.gz LHSNJUIKJXPZCX-QAPCUYQASA-N 2 1 347.507 1.274 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCC[N@H+]1CCCF ZINC000993984843 696482080 /nfs/dbraw/zinc/48/20/80/696482080.db2.gz JIBKBADJRMQDQT-ZBFHGGJFSA-N 2 1 339.459 1.387 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000916117310 696623013 /nfs/dbraw/zinc/62/30/13/696623013.db2.gz LNMAYSSEANURQX-KRWDZBQOSA-N 2 1 333.480 1.858 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1CCc1cnn(C)c1 ZINC000994415038 696840882 /nfs/dbraw/zinc/84/08/82/696840882.db2.gz ZERPWXIKKDUBAN-WBVHZDCISA-N 2 1 333.480 1.028 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1CCc1cnn(C)c1 ZINC000994415038 696840885 /nfs/dbraw/zinc/84/08/85/696840885.db2.gz ZERPWXIKKDUBAN-WBVHZDCISA-N 2 1 333.480 1.028 20 0 EDADMP CCC[N@@H+](Cc1ccccc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000917064762 696904744 /nfs/dbraw/zinc/90/47/44/696904744.db2.gz JVXUPQZYAWOGNH-UHFFFAOYSA-N 2 1 344.459 1.872 20 0 EDADMP CCC[N@H+](Cc1ccccc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000917064762 696904747 /nfs/dbraw/zinc/90/47/47/696904747.db2.gz JVXUPQZYAWOGNH-UHFFFAOYSA-N 2 1 344.459 1.872 20 0 EDADMP Cc1cccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000940025025 700123901 /nfs/dbraw/zinc/12/39/01/700123901.db2.gz YHIXEJXFHVEZKM-SFHVURJKSA-N 2 1 345.487 1.796 20 0 EDADMP Cc1cccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000940025025 700123902 /nfs/dbraw/zinc/12/39/02/700123902.db2.gz YHIXEJXFHVEZKM-SFHVURJKSA-N 2 1 345.487 1.796 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCC2CCOCC2)C1 ZINC001031439248 697109828 /nfs/dbraw/zinc/10/98/28/697109828.db2.gz FGHLJXSPOSEQOR-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCC2CCOCC2)C1 ZINC001031439248 697109831 /nfs/dbraw/zinc/10/98/31/697109831.db2.gz FGHLJXSPOSEQOR-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000352744723 697333269 /nfs/dbraw/zinc/33/32/69/697333269.db2.gz QEMDJKBZLKGQPN-IAGOWNOFSA-N 2 1 325.497 1.866 20 0 EDADMP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)C1CCC1 ZINC001031667014 697447904 /nfs/dbraw/zinc/44/79/04/697447904.db2.gz VNGOPXCSGVHBOD-ROUUACIJSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001031667128 697448569 /nfs/dbraw/zinc/44/85/69/697448569.db2.gz ZBFXZOIZPBPHGI-OAHLLOKOSA-N 2 1 329.435 1.953 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001031667127 697448648 /nfs/dbraw/zinc/44/86/48/697448648.db2.gz ZBFXZOIZPBPHGI-HNNXBMFYSA-N 2 1 329.435 1.953 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2nccnc2C)C1 ZINC000995036748 700190904 /nfs/dbraw/zinc/19/09/04/700190904.db2.gz MGNQDBKPTTYQBJ-HZPDHXFCSA-N 2 1 342.447 1.365 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnccc2C)C1 ZINC000995037103 700203267 /nfs/dbraw/zinc/20/32/67/700203267.db2.gz MPIVSTGUWLDGBE-SJLPKXTDSA-N 2 1 341.459 1.970 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031766882 699066481 /nfs/dbraw/zinc/06/64/81/699066481.db2.gz NJCMMKFENBLODD-RBUKOAKNSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001031766882 699066485 /nfs/dbraw/zinc/06/64/85/699066485.db2.gz NJCMMKFENBLODD-RBUKOAKNSA-N 2 1 342.487 1.955 20 0 EDADMP Cc1cccc(OCC[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001031771780 699093509 /nfs/dbraw/zinc/09/35/09/699093509.db2.gz IKHMRIKVSOPYQM-LJQANCHMSA-N 2 1 345.487 1.906 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939055092 699115756 /nfs/dbraw/zinc/11/57/56/699115756.db2.gz TXNURUXBVYKLJH-HOCLYGCPSA-N 2 1 348.495 1.137 20 0 EDADMP CO[C@H](C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC001031776663 699168846 /nfs/dbraw/zinc/16/88/46/699168846.db2.gz LMXBKWVZZOIOKC-RTBURBONSA-N 2 1 345.487 1.906 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cncn1C ZINC000939128758 699207450 /nfs/dbraw/zinc/20/74/50/699207450.db2.gz PBKBQNNSKYCDSQ-ZBFHGGJFSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000939129772 699227181 /nfs/dbraw/zinc/22/71/81/699227181.db2.gz ZHARRKBPPGBUTB-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941604413 701593732 /nfs/dbraw/zinc/59/37/32/701593732.db2.gz YXQOXXXXDOOCMZ-MJGOQNOKSA-N 2 1 348.535 1.488 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000939748342 699895097 /nfs/dbraw/zinc/89/50/97/699895097.db2.gz OSHKXTHIWJSEHE-MLGOLLRUSA-N 2 1 331.395 1.362 20 0 EDADMP CC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000940149239 700281948 /nfs/dbraw/zinc/28/19/48/700281948.db2.gz IAGRJGONTAZLRB-CVEARBPZSA-N 2 1 346.475 1.768 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1)C1CCC1 ZINC000940154492 700284477 /nfs/dbraw/zinc/28/44/77/700284477.db2.gz ZYAUZGRADTUXTA-UHFFFAOYSA-N 2 1 337.493 1.493 20 0 EDADMP Cc1conc1C[NH2+]C1(C)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000940214478 700354047 /nfs/dbraw/zinc/35/40/47/700354047.db2.gz PFMHMGXFVWWFBG-UHFFFAOYSA-N 2 1 331.420 1.659 20 0 EDADMP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2nc(C3CC3)no2)CC1)[NH+](C)C ZINC000940337343 700495013 /nfs/dbraw/zinc/49/50/13/700495013.db2.gz HFXRHNFTWMNWPF-AWEZNQCLSA-N 2 1 349.479 1.758 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cncc(F)c2)CC1 ZINC000940329496 700508952 /nfs/dbraw/zinc/50/89/52/700508952.db2.gz UQTODALLUILCLW-YOEHRIQHSA-N 2 1 348.466 1.889 20 0 EDADMP Cn1cncc1C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940426131 700619538 /nfs/dbraw/zinc/61/95/38/700619538.db2.gz GOUVXDZAXYOLBV-OAHLLOKOSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940426196 700619587 /nfs/dbraw/zinc/61/95/87/700619587.db2.gz JEFNVPFHHFTQTJ-INIZCTEOSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000940426308 700620244 /nfs/dbraw/zinc/62/02/44/700620244.db2.gz PCSNQQIMSYIKED-MRXNPFEDSA-N 2 1 347.507 1.541 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000940426272 700620255 /nfs/dbraw/zinc/62/02/55/700620255.db2.gz MQFGSBNERPQYPU-HNNXBMFYSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940426684 700620677 /nfs/dbraw/zinc/62/06/77/700620677.db2.gz XOMJGNAQIOETIF-CQSZACIVSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940426684 700620678 /nfs/dbraw/zinc/62/06/78/700620678.db2.gz XOMJGNAQIOETIF-CQSZACIVSA-N 2 1 335.452 1.191 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940472169 700657516 /nfs/dbraw/zinc/65/75/16/700657516.db2.gz LXNRYKWDODTTBM-IYBDPMFKSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1ccncc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000940457770 700661436 /nfs/dbraw/zinc/66/14/36/700661436.db2.gz SZKQLWWNXKGHDD-INIZCTEOSA-N 2 1 330.476 1.812 20 0 EDADMP COc1cccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940457837 700661610 /nfs/dbraw/zinc/66/16/10/700661610.db2.gz XCRBBVAUIUTSFE-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP CCOC1CC(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000940461466 700664478 /nfs/dbraw/zinc/66/44/78/700664478.db2.gz CHXWERJONQDWCW-AQFXKWCLSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000940461996 700665652 /nfs/dbraw/zinc/66/56/52/700665652.db2.gz VUWOVUNHZQFSQQ-KRWDZBQOSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]Cc2ccccn2)CC1 ZINC000940462016 700665693 /nfs/dbraw/zinc/66/56/93/700665693.db2.gz WWOBUHOZKVDZAU-UHFFFAOYSA-N 2 1 327.432 1.757 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]Cc2ccns2)CC1 ZINC000940461936 700665697 /nfs/dbraw/zinc/66/56/97/700665697.db2.gz SHCMEBLCYJYYHZ-UHFFFAOYSA-N 2 1 333.461 1.819 20 0 EDADMP Cc1nonc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000995099931 700886603 /nfs/dbraw/zinc/88/66/03/700886603.db2.gz BGGISJBSYGWKEI-GJZGRUSLSA-N 2 1 349.479 1.484 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CCO[C@H]3CC3(F)F)C2)CC[N@@H+]1C ZINC001031925908 701130785 /nfs/dbraw/zinc/13/07/85/701130785.db2.gz QTYSGLOSMFLRLK-QEJZJMRPSA-N 2 1 345.434 1.189 20 0 EDADMP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CCO[C@H]3CC3(F)F)C2)CC[N@H+]1C ZINC001031925908 701130786 /nfs/dbraw/zinc/13/07/86/701130786.db2.gz QTYSGLOSMFLRLK-QEJZJMRPSA-N 2 1 345.434 1.189 20 0 EDADMP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001032197536 701695317 /nfs/dbraw/zinc/69/53/17/701695317.db2.gz NIOBJETWTDKRAG-MOPGFXCFSA-N 2 1 345.487 1.906 20 0 EDADMP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001032197536 701695318 /nfs/dbraw/zinc/69/53/18/701695318.db2.gz NIOBJETWTDKRAG-MOPGFXCFSA-N 2 1 345.487 1.906 20 0 EDADMP CC1(C)C[N@@H+](Cc2cncs2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167122 701378110 /nfs/dbraw/zinc/37/81/10/701378110.db2.gz RPLVRRRAJLQCCG-HNNXBMFYSA-N 2 1 348.516 1.956 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941216961 701403100 /nfs/dbraw/zinc/40/31/00/701403100.db2.gz IOAMSERSCUZXHM-HOCLYGCPSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216961 701403101 /nfs/dbraw/zinc/40/31/01/701403101.db2.gz IOAMSERSCUZXHM-HOCLYGCPSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216961 701403102 /nfs/dbraw/zinc/40/31/02/701403102.db2.gz IOAMSERSCUZXHM-HOCLYGCPSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC000999169853 706599057 /nfs/dbraw/zinc/59/90/57/706599057.db2.gz VPDQYXDZCMDUBM-VMBOVVBDSA-N 2 1 347.463 1.331 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1)OC ZINC000941221133 701411545 /nfs/dbraw/zinc/41/15/45/701411545.db2.gz LRIHDLSTTHXVCM-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCCCO2)CC1(C)C ZINC000941222916 701413344 /nfs/dbraw/zinc/41/33/44/701413344.db2.gz AWSMUJWWXXWJAO-SJORKVTESA-N 2 1 348.491 1.977 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCCCO2)CC1(C)C ZINC000941222916 701413345 /nfs/dbraw/zinc/41/33/45/701413345.db2.gz AWSMUJWWXXWJAO-SJORKVTESA-N 2 1 348.491 1.977 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ncccn3)C[C@H]2CC1 ZINC000946518572 706604244 /nfs/dbraw/zinc/60/42/44/706604244.db2.gz XQUKXEIWXKBJCF-IXDOHACOSA-N 2 1 343.475 1.241 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]2CC1 ZINC000946518572 706604246 /nfs/dbraw/zinc/60/42/46/706604246.db2.gz XQUKXEIWXKBJCF-IXDOHACOSA-N 2 1 343.475 1.241 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]2CC1 ZINC000946518572 706604251 /nfs/dbraw/zinc/60/42/51/706604251.db2.gz XQUKXEIWXKBJCF-IXDOHACOSA-N 2 1 343.475 1.241 20 0 EDADMP C[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H](O)c3ccccc3F)C2)CC1 ZINC001031949544 701526180 /nfs/dbraw/zinc/52/61/80/701526180.db2.gz YFIZPKVDCAEZHH-GOSISDBHSA-N 2 1 349.450 1.249 20 0 EDADMP COCc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)c1 ZINC001031978332 702081230 /nfs/dbraw/zinc/08/12/30/702081230.db2.gz RWPSGWVKTHLJLX-HNAYVOBHSA-N 2 1 345.487 1.579 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3nc(C)no3)C(C)(C)C2)CC[N@H+]1C ZINC000995825608 702097484 /nfs/dbraw/zinc/09/74/84/702097484.db2.gz OHMUIIBIKOCXDW-ZNMIVQPWSA-N 2 1 349.479 1.435 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCc2ccns2)C1 ZINC001032206085 702128155 /nfs/dbraw/zinc/12/81/55/702128155.db2.gz RJPCWQBVIDUAPG-INIZCTEOSA-N 2 1 336.505 1.608 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnc(C)cn3)C2)CC[N@H+]1C ZINC000999200815 706644980 /nfs/dbraw/zinc/64/49/80/706644980.db2.gz PZAZOLZXUZKTQY-RYQLBKOJSA-N 2 1 345.491 1.596 20 0 EDADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C)c1cnccn1 ZINC000995915959 702276197 /nfs/dbraw/zinc/27/61/97/702276197.db2.gz HOFBLACCVAPQSU-WMLDXEAASA-N 2 1 345.491 1.849 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000995916493 702277325 /nfs/dbraw/zinc/27/73/25/702277325.db2.gz QYBMQKJNZBASHP-HUUCEWRRSA-N 2 1 335.452 1.271 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000995916493 702277330 /nfs/dbraw/zinc/27/73/30/702277330.db2.gz QYBMQKJNZBASHP-HUUCEWRRSA-N 2 1 335.452 1.271 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](C[C@H]3CCCC(F)(F)C3)C2)C1 ZINC001032185784 702308793 /nfs/dbraw/zinc/30/87/93/702308793.db2.gz CBYHOIPNZXZGRP-DZGCQCFKSA-N 2 1 329.435 1.812 20 0 EDADMP COc1cccc([C@@H](C)[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032186096 702314696 /nfs/dbraw/zinc/31/46/96/702314696.db2.gz IKVSKPIMXADSFJ-PBHICJAKSA-N 2 1 331.460 1.756 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)co1 ZINC000995981786 702340860 /nfs/dbraw/zinc/34/08/60/702340860.db2.gz NURHCCRTUIPQEA-HZPDHXFCSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)co1 ZINC000995981786 702340865 /nfs/dbraw/zinc/34/08/65/702340865.db2.gz NURHCCRTUIPQEA-HZPDHXFCSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995972864 702357979 /nfs/dbraw/zinc/35/79/79/702357979.db2.gz FHYMJBWGFQRLHV-SJORKVTESA-N 2 1 345.491 1.596 20 0 EDADMP CCn1ccc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)n1 ZINC000996299929 702691107 /nfs/dbraw/zinc/69/11/07/702691107.db2.gz GWOYWJLZXACQFJ-RDJZCZTQSA-N 2 1 347.507 1.714 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)C1 ZINC000996302760 702694649 /nfs/dbraw/zinc/69/46/49/702694649.db2.gz YWJRLPHSYOAYCP-WMLDXEAASA-N 2 1 348.466 1.889 20 0 EDADMP C[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1)[NH+]1CCCCCC1 ZINC000996380299 702746228 /nfs/dbraw/zinc/74/62/28/702746228.db2.gz QVILDJSFZMESNF-GOEBONIOSA-N 2 1 349.479 1.661 20 0 EDADMP Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)cn1 ZINC000996478681 702810415 /nfs/dbraw/zinc/81/04/15/702810415.db2.gz SWAHXNNSWPURKG-WMZOPIPTSA-N 2 1 345.491 1.375 20 0 EDADMP Cn1nccc1CC[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996512073 702831461 /nfs/dbraw/zinc/83/14/61/702831461.db2.gz ABVPQRTXJWGWTH-WBVHZDCISA-N 2 1 347.507 1.131 20 0 EDADMP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000996610135 702921192 /nfs/dbraw/zinc/92/11/92/702921192.db2.gz YSPYXMNCYSXOTM-GDBMZVCRSA-N 2 1 348.491 1.966 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)nn1 ZINC000996667254 702964126 /nfs/dbraw/zinc/96/41/26/702964126.db2.gz YWFKOSKFPFLWFI-UHFFFAOYSA-N 2 1 347.463 1.050 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000996671142 702972324 /nfs/dbraw/zinc/97/23/24/702972324.db2.gz MFVYELDZLKUQEM-HOTGVXAUSA-N 2 1 334.464 1.876 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000996671142 702972327 /nfs/dbraw/zinc/97/23/27/702972327.db2.gz MFVYELDZLKUQEM-HOTGVXAUSA-N 2 1 334.464 1.876 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000996678375 702977144 /nfs/dbraw/zinc/97/71/44/702977144.db2.gz MWNGFHUSCKLXRD-INIZCTEOSA-N 2 1 349.479 1.614 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1)C1CC1 ZINC000996679172 702978308 /nfs/dbraw/zinc/97/83/08/702978308.db2.gz QCNQFFCPJBSACV-INIZCTEOSA-N 2 1 347.463 1.368 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1)c1cnccn1 ZINC000996688382 702985759 /nfs/dbraw/zinc/98/57/59/702985759.db2.gz IIQSGLJUMOUVAO-NVXWUHKLSA-N 2 1 345.491 1.993 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1)c1nncn1C ZINC000996691021 702988113 /nfs/dbraw/zinc/98/81/13/702988113.db2.gz RMWROYTYZUVFBQ-GDBMZVCRSA-N 2 1 348.495 1.331 20 0 EDADMP CCc1nnc(CNC2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000996692056 702989195 /nfs/dbraw/zinc/98/91/95/702989195.db2.gz VISCSMKRSIZVRL-HNNXBMFYSA-N 2 1 349.479 1.587 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000996692056 702989196 /nfs/dbraw/zinc/98/91/96/702989196.db2.gz VISCSMKRSIZVRL-HNNXBMFYSA-N 2 1 349.479 1.587 20 0 EDADMP CCc1nnc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000996692056 702989198 /nfs/dbraw/zinc/98/91/98/702989198.db2.gz VISCSMKRSIZVRL-HNNXBMFYSA-N 2 1 349.479 1.587 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)no1 ZINC000996692576 702989803 /nfs/dbraw/zinc/98/98/03/702989803.db2.gz NTSOEFSPMVYBSK-DOMZBBRYSA-N 2 1 337.468 1.606 20 0 EDADMP CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2nc(C3CC3)no2)CC1)[NH+](C)C ZINC000996720181 703013958 /nfs/dbraw/zinc/01/39/58/703013958.db2.gz RWXDFHZFXWRPLZ-IUODEOHRSA-N 2 1 349.479 1.929 20 0 EDADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1)c1csnn1 ZINC000996720693 703014556 /nfs/dbraw/zinc/01/45/56/703014556.db2.gz DXSMYMDTQQJFQD-IUODEOHRSA-N 2 1 337.493 1.664 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N(Cc1cccnc1)C[C@@H]1CC[NH+](CCF)C1 ZINC000995257730 703017321 /nfs/dbraw/zinc/01/73/21/703017321.db2.gz LHWRERQCCIDQAN-QZTJIDSGSA-N 2 1 348.466 1.796 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N(Cc1cccnc1)C[C@@H]1CC[N@H+](CCF)C1 ZINC000995257730 703017323 /nfs/dbraw/zinc/01/73/23/703017323.db2.gz LHWRERQCCIDQAN-QZTJIDSGSA-N 2 1 348.466 1.796 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCF)C1 ZINC000995257730 703017325 /nfs/dbraw/zinc/01/73/25/703017325.db2.gz LHWRERQCCIDQAN-QZTJIDSGSA-N 2 1 348.466 1.796 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001032026391 703053513 /nfs/dbraw/zinc/05/35/13/703053513.db2.gz CUTIMHPQBROWLJ-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597381 703111937 /nfs/dbraw/zinc/11/19/37/703111937.db2.gz KCPGQQCZUYGUCP-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000995267461 703187472 /nfs/dbraw/zinc/18/74/72/703187472.db2.gz LIEUGRSNQFPNHM-QZTJIDSGSA-N 2 1 330.476 1.704 20 0 EDADMP CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000995267461 703187473 /nfs/dbraw/zinc/18/74/73/703187473.db2.gz LIEUGRSNQFPNHM-QZTJIDSGSA-N 2 1 330.476 1.704 20 0 EDADMP CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000995267461 703187474 /nfs/dbraw/zinc/18/74/74/703187474.db2.gz LIEUGRSNQFPNHM-QZTJIDSGSA-N 2 1 330.476 1.704 20 0 EDADMP CCn1cc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)nn1 ZINC000996921320 703192217 /nfs/dbraw/zinc/19/22/17/703192217.db2.gz JMLBHLNMRVOTLA-GJZGRUSLSA-N 2 1 348.495 1.109 20 0 EDADMP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032042371 703198562 /nfs/dbraw/zinc/19/85/62/703198562.db2.gz BKPPQRDTPAQAGO-SJLPKXTDSA-N 2 1 335.492 1.620 20 0 EDADMP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032042416 703199832 /nfs/dbraw/zinc/19/98/32/703199832.db2.gz CPMXABJHFREYSM-RBUKOAKNSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)cn1 ZINC000996997732 703254646 /nfs/dbraw/zinc/25/46/46/703254646.db2.gz GFDCBIQMDOMCBH-CVEARBPZSA-N 2 1 345.491 1.911 20 0 EDADMP C[C@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)O1 ZINC000997000224 703257129 /nfs/dbraw/zinc/25/71/29/703257129.db2.gz OELYPGIIUCGDNJ-RDJZCZTQSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)no1 ZINC000997000245 703257247 /nfs/dbraw/zinc/25/72/47/703257247.db2.gz OJWCECOHYNNGHH-QWHCGFSZSA-N 2 1 335.452 1.504 20 0 EDADMP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)no1 ZINC000997000245 703257249 /nfs/dbraw/zinc/25/72/49/703257249.db2.gz OJWCECOHYNNGHH-QWHCGFSZSA-N 2 1 335.452 1.504 20 0 EDADMP Cn1cc(CC[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)cn1 ZINC000997003032 703259508 /nfs/dbraw/zinc/25/95/08/703259508.db2.gz YNCYNULSOUWIAD-UHFFFAOYSA-N 2 1 347.507 1.275 20 0 EDADMP Cc1ccncc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000996996682 703259790 /nfs/dbraw/zinc/25/97/90/703259790.db2.gz YAWIHMZRMTXRHG-MRXNPFEDSA-N 2 1 330.476 1.955 20 0 EDADMP CC(C)n1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000997005295 703262452 /nfs/dbraw/zinc/26/24/52/703262452.db2.gz DHHWKBAHWGWRAY-MAUKXSAKSA-N 2 1 347.507 1.742 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC000997006477 703263819 /nfs/dbraw/zinc/26/38/19/703263819.db2.gz MDLPFWRBOVOZAX-VQIMIIECSA-N 2 1 345.487 1.642 20 0 EDADMP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)s1 ZINC000997008615 703266742 /nfs/dbraw/zinc/26/67/42/703266742.db2.gz VTHQTCHOOPVHFL-ZDUSSCGKSA-N 2 1 336.505 1.874 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1)c1cnccn1 ZINC000997008553 703266834 /nfs/dbraw/zinc/26/68/34/703266834.db2.gz VOVGXBBBGDMXTF-CABCVRRESA-N 2 1 331.464 1.460 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000997013211 703272797 /nfs/dbraw/zinc/27/27/97/703272797.db2.gz ZDHRGQNYGLMJRY-SUMWQHHRSA-N 2 1 334.439 1.499 20 0 EDADMP CC[C@@H](C(=O)N1CCC([NH2+]Cc2nc(CC3CC3)no2)CC1)[NH+](C)C ZINC000997014172 703273572 /nfs/dbraw/zinc/27/35/72/703273572.db2.gz GQTAXDQSJAAKOX-HNNXBMFYSA-N 2 1 349.479 1.443 20 0 EDADMP CC[C@@H]([NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1)C(N)=O ZINC000997059248 703304501 /nfs/dbraw/zinc/30/45/01/703304501.db2.gz HKLZIXIXGIUMJE-OAHLLOKOSA-N 2 1 349.479 1.241 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997061881 703312720 /nfs/dbraw/zinc/31/27/20/703312720.db2.gz KINUMQHCSBHTFN-KRWDZBQOSA-N 2 1 349.479 1.722 20 0 EDADMP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)n1 ZINC000997090962 703328570 /nfs/dbraw/zinc/32/85/70/703328570.db2.gz CBAGZOMMSUTRNR-ZWKOTPCHSA-N 2 1 345.491 1.518 20 0 EDADMP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997086309 703331820 /nfs/dbraw/zinc/33/18/20/703331820.db2.gz XWCASHHPDXOXEV-MSOLQXFVSA-N 2 1 345.491 1.481 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032407402 703432844 /nfs/dbraw/zinc/43/28/44/703432844.db2.gz CUBWXNZWDBBMQG-XYJFISCASA-N 2 1 333.476 1.182 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032407402 703432845 /nfs/dbraw/zinc/43/28/45/703432845.db2.gz CUBWXNZWDBBMQG-XYJFISCASA-N 2 1 333.476 1.182 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccccc2)CC[N@@H+]1C ZINC001032410949 703441918 /nfs/dbraw/zinc/44/19/18/703441918.db2.gz BTNSSJJCVKYRDG-VUHPKUFZSA-N 2 1 343.471 1.691 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccccc2)CC[N@H+]1C ZINC001032410949 703441920 /nfs/dbraw/zinc/44/19/20/703441920.db2.gz BTNSSJJCVKYRDG-VUHPKUFZSA-N 2 1 343.471 1.691 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOc2ccccc2)CC[NH+]1C ZINC001032410949 703441922 /nfs/dbraw/zinc/44/19/22/703441922.db2.gz BTNSSJJCVKYRDG-VUHPKUFZSA-N 2 1 343.471 1.691 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOc2ccccc2)CC[NH+]1C ZINC001032410949 703441926 /nfs/dbraw/zinc/44/19/26/703441926.db2.gz BTNSSJJCVKYRDG-VUHPKUFZSA-N 2 1 343.471 1.691 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCOCC2)CC[N@H+]1C ZINC001032413964 703466053 /nfs/dbraw/zinc/46/60/53/703466053.db2.gz VTNVLSNNENUKDX-XLAORIBOSA-N 2 1 335.492 1.428 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCOCC2)CC[NH+]1C ZINC001032413964 703466055 /nfs/dbraw/zinc/46/60/55/703466055.db2.gz VTNVLSNNENUKDX-XLAORIBOSA-N 2 1 335.492 1.428 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCOCC2)CC[NH+]1C ZINC001032413964 703466056 /nfs/dbraw/zinc/46/60/56/703466056.db2.gz VTNVLSNNENUKDX-XLAORIBOSA-N 2 1 335.492 1.428 20 0 EDADMP Cc1ccncc1C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997181491 703466233 /nfs/dbraw/zinc/46/62/33/703466233.db2.gz BBDCPEMTNPSDEA-INIZCTEOSA-N 2 1 330.476 1.812 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997187171 703476613 /nfs/dbraw/zinc/47/66/13/703476613.db2.gz WWWOAQUXERPDHW-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1noc([C@H](C)N2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000997262793 703540739 /nfs/dbraw/zinc/54/07/39/703540739.db2.gz RIIBDJJYWZDUJS-DVOMOZLQSA-N 2 1 349.479 1.750 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000997300734 703544214 /nfs/dbraw/zinc/54/42/14/703544214.db2.gz WRZYPOAQIDXJLP-MRXNPFEDSA-N 2 1 331.460 1.728 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cc(C4CC4)no3)CC2)C1 ZINC000997298333 703556162 /nfs/dbraw/zinc/55/61/62/703556162.db2.gz IMDMMHTWBGCIGU-AWEZNQCLSA-N 2 1 332.448 1.584 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]CC[C@H]2CCCCO2)CC1 ZINC000997308831 703566798 /nfs/dbraw/zinc/56/67/98/703566798.db2.gz IAWGTWHJZYDXQP-QGZVFWFLSA-N 2 1 334.464 1.731 20 0 EDADMP COc1nscc1C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000997310687 703567535 /nfs/dbraw/zinc/56/75/35/703567535.db2.gz SGUHNSQLRBGULD-UHFFFAOYSA-N 2 1 349.460 1.437 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC000997366546 703600357 /nfs/dbraw/zinc/60/03/57/703600357.db2.gz GFHBWQXEJVPLOB-HNNXBMFYSA-N 2 1 334.468 1.068 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nc(C)no2)CC1 ZINC000997367107 703601453 /nfs/dbraw/zinc/60/14/53/703601453.db2.gz SFGHCCJNRIYNRH-CJNGLKHVSA-N 2 1 349.479 1.894 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nc(C)no2)CC1 ZINC000997367107 703601455 /nfs/dbraw/zinc/60/14/55/703601455.db2.gz SFGHCCJNRIYNRH-CJNGLKHVSA-N 2 1 349.479 1.894 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCCC2)O1 ZINC001032473569 703691653 /nfs/dbraw/zinc/69/16/53/703691653.db2.gz UFWKRVPPUJVCGL-XGXHKWSGSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCCC2)O1 ZINC001032473569 703691655 /nfs/dbraw/zinc/69/16/55/703691655.db2.gz UFWKRVPPUJVCGL-XGXHKWSGSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC2CCCC2)O1 ZINC001032473569 703691657 /nfs/dbraw/zinc/69/16/57/703691657.db2.gz UFWKRVPPUJVCGL-XGXHKWSGSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCCC2)O1 ZINC001032473569 703691659 /nfs/dbraw/zinc/69/16/59/703691659.db2.gz UFWKRVPPUJVCGL-XGXHKWSGSA-N 2 1 349.519 1.961 20 0 EDADMP CCn1ccc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997514104 703762620 /nfs/dbraw/zinc/76/26/20/703762620.db2.gz CDNMEQFAIKSXBZ-MAUKXSAKSA-N 2 1 347.507 1.714 20 0 EDADMP CCn1ccc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000997514104 703762621 /nfs/dbraw/zinc/76/26/21/703762621.db2.gz CDNMEQFAIKSXBZ-MAUKXSAKSA-N 2 1 347.507 1.714 20 0 EDADMP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCOC1 ZINC001032500955 703817822 /nfs/dbraw/zinc/81/78/22/703817822.db2.gz MZBBXVVZOZGIGX-JLSDUUJJSA-N 2 1 340.427 1.660 20 0 EDADMP CC(C)c1noc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997609097 703908422 /nfs/dbraw/zinc/90/84/22/703908422.db2.gz YYIZAPWYSQAEEF-OAHLLOKOSA-N 2 1 349.479 1.615 20 0 EDADMP CC(C)c1noc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000997609097 703908423 /nfs/dbraw/zinc/90/84/23/703908423.db2.gz YYIZAPWYSQAEEF-OAHLLOKOSA-N 2 1 349.479 1.615 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000997614428 703913974 /nfs/dbraw/zinc/91/39/74/703913974.db2.gz QRUPARRXBKZFFE-WFASDCNBSA-N 2 1 335.452 1.361 20 0 EDADMP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995549830 703933772 /nfs/dbraw/zinc/93/37/72/703933772.db2.gz FYDYXONCTVYVJE-IRXDYDNUSA-N 2 1 330.476 1.811 20 0 EDADMP CC(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997636228 703937749 /nfs/dbraw/zinc/93/77/49/703937749.db2.gz MEGXKJSHRHGSLL-SOLBZPMBSA-N 2 1 339.524 1.968 20 0 EDADMP CC(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997636228 703937752 /nfs/dbraw/zinc/93/77/52/703937752.db2.gz MEGXKJSHRHGSLL-SOLBZPMBSA-N 2 1 339.524 1.968 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC3CCCCC3)CC2)C1 ZINC000997645755 703957861 /nfs/dbraw/zinc/95/78/61/703957861.db2.gz RSSBKCOHRULULE-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC3CCCCC3)CC2)C1 ZINC000997645755 703957862 /nfs/dbraw/zinc/95/78/62/703957862.db2.gz RSSBKCOHRULULE-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)o1 ZINC001004207449 703966464 /nfs/dbraw/zinc/96/64/64/703966464.db2.gz WDNVKTGHJHNITA-ZIAGYGMSSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)nn1C ZINC000995555153 703974036 /nfs/dbraw/zinc/97/40/36/703974036.db2.gz YOJKTMHQPHTEDP-CVEARBPZSA-N 2 1 333.480 1.149 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccn(C)n3)C2)CC[N@H+]1C ZINC000999292945 706790153 /nfs/dbraw/zinc/79/01/53/706790153.db2.gz IWYDGNDLJCFMOV-JCAIJIATSA-N 2 1 333.480 1.229 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001033082291 704138943 /nfs/dbraw/zinc/13/89/43/704138943.db2.gz PWLFUSFQZHSEQQ-RBUKOAKNSA-N 2 1 342.487 1.765 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033083729 704142862 /nfs/dbraw/zinc/14/28/62/704142862.db2.gz ZQRCILIXCQXNQO-SJORKVTESA-N 2 1 346.475 1.612 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033083729 704142864 /nfs/dbraw/zinc/14/28/64/704142864.db2.gz ZQRCILIXCQXNQO-SJORKVTESA-N 2 1 346.475 1.612 20 0 EDADMP CCn1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001033093194 704169855 /nfs/dbraw/zinc/16/98/55/704169855.db2.gz YDBVWHYBKKZOIB-HYVNUMGLSA-N 2 1 333.480 1.276 20 0 EDADMP Cc1cncc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001033095247 704181510 /nfs/dbraw/zinc/18/15/10/704181510.db2.gz VBWWGLJRFKMWBR-BPQIPLTHSA-N 2 1 330.476 1.763 20 0 EDADMP Cc1cncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC001033095247 704181511 /nfs/dbraw/zinc/18/15/11/704181511.db2.gz VBWWGLJRFKMWBR-BPQIPLTHSA-N 2 1 330.476 1.763 20 0 EDADMP Cc1cncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC001033095247 704181513 /nfs/dbraw/zinc/18/15/13/704181513.db2.gz VBWWGLJRFKMWBR-BPQIPLTHSA-N 2 1 330.476 1.763 20 0 EDADMP CN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033095514 704182774 /nfs/dbraw/zinc/18/27/74/704182774.db2.gz YUTVGUUVPLDWLQ-CZUORRHYSA-N 2 1 337.443 1.682 20 0 EDADMP CN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033095514 704182775 /nfs/dbraw/zinc/18/27/75/704182775.db2.gz YUTVGUUVPLDWLQ-CZUORRHYSA-N 2 1 337.443 1.682 20 0 EDADMP CN(C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)[C@@H]1CC[NH+](CCCF)C1 ZINC001033095514 704182777 /nfs/dbraw/zinc/18/27/77/704182777.db2.gz YUTVGUUVPLDWLQ-CZUORRHYSA-N 2 1 337.443 1.682 20 0 EDADMP CN(C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)[C@@H]1CC[NH+](CCCF)C1 ZINC001033095514 704182778 /nfs/dbraw/zinc/18/27/78/704182778.db2.gz YUTVGUUVPLDWLQ-CZUORRHYSA-N 2 1 337.443 1.682 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2coc(C)n2)C1 ZINC000999300788 706803126 /nfs/dbraw/zinc/80/31/26/706803126.db2.gz ALXHHGKHDKMJEC-RDJZCZTQSA-N 2 1 334.464 1.938 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2coc(C)n2)C1 ZINC000999300788 706803127 /nfs/dbraw/zinc/80/31/27/706803127.db2.gz ALXHHGKHDKMJEC-RDJZCZTQSA-N 2 1 334.464 1.938 20 0 EDADMP CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC[C@@H]2C1 ZINC000946597656 704292726 /nfs/dbraw/zinc/29/27/26/704292726.db2.gz DUNSZRZHPORULH-CALCHBBNSA-N 2 1 347.507 1.637 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([C@H]2CCC[NH+]2CCO)CC1 ZINC001004457486 704450763 /nfs/dbraw/zinc/45/07/63/704450763.db2.gz LDJHKONDCZCWMG-ZWKOTPCHSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1CCC[C@H]1CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004457486 704450764 /nfs/dbraw/zinc/45/07/64/704450764.db2.gz LDJHKONDCZCWMG-ZWKOTPCHSA-N 2 1 337.508 1.556 20 0 EDADMP C[NH+]1CCC[C@H]1CCC(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004457486 704450766 /nfs/dbraw/zinc/45/07/66/704450766.db2.gz LDJHKONDCZCWMG-ZWKOTPCHSA-N 2 1 337.508 1.556 20 0 EDADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CCF)CC1)C2 ZINC000997747572 704643609 /nfs/dbraw/zinc/64/36/09/704643609.db2.gz JVOBDLSEIAVXEZ-BBRMVZONSA-N 2 1 336.455 1.940 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ccns1 ZINC000947936326 704664627 /nfs/dbraw/zinc/66/46/27/704664627.db2.gz VJBLJUCTUOMLFR-ZIAGYGMSSA-N 2 1 334.489 1.708 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1ccns1 ZINC000947936326 704664628 /nfs/dbraw/zinc/66/46/28/704664628.db2.gz VJBLJUCTUOMLFR-ZIAGYGMSSA-N 2 1 334.489 1.708 20 0 EDADMP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000997829530 704748146 /nfs/dbraw/zinc/74/81/46/704748146.db2.gz AJBUVSSQYQAGFF-ZDUSSCGKSA-N 2 1 349.479 1.752 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1)C1CCC1 ZINC000997831600 704749774 /nfs/dbraw/zinc/74/97/74/704749774.db2.gz VUXDUKJAIVXHLD-KRWDZBQOSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)no1 ZINC000997832066 704750274 /nfs/dbraw/zinc/75/02/74/704750274.db2.gz YEMZMRJYWFDPGW-LRDDRELGSA-N 2 1 349.479 1.607 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CC[NH+](CC(C)C)CC2)C1 ZINC000997872302 704778201 /nfs/dbraw/zinc/77/82/01/704778201.db2.gz ZOTHADBHDDPGMK-RDJZCZTQSA-N 2 1 325.497 1.580 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CC[NH+](CC(C)C)CC2)C1 ZINC000997872302 704778204 /nfs/dbraw/zinc/77/82/04/704778204.db2.gz ZOTHADBHDDPGMK-RDJZCZTQSA-N 2 1 325.497 1.580 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](O)C1CCCCC1 ZINC001032564857 704830303 /nfs/dbraw/zinc/83/03/03/704830303.db2.gz LGQDWSODNIRMRT-FJIDUMEYSA-N 2 1 335.492 1.307 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)C1CCCCC1 ZINC001032564857 704830308 /nfs/dbraw/zinc/83/03/08/704830308.db2.gz LGQDWSODNIRMRT-FJIDUMEYSA-N 2 1 335.492 1.307 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)C1CCCCC1 ZINC001032564857 704830312 /nfs/dbraw/zinc/83/03/12/704830312.db2.gz LGQDWSODNIRMRT-FJIDUMEYSA-N 2 1 335.492 1.307 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000997947282 705067467 /nfs/dbraw/zinc/06/74/67/705067467.db2.gz CRBCUYGGEWKKQE-QZTJIDSGSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000997947282 705067472 /nfs/dbraw/zinc/06/74/72/705067472.db2.gz CRBCUYGGEWKKQE-QZTJIDSGSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000997947282 705067477 /nfs/dbraw/zinc/06/74/77/705067477.db2.gz CRBCUYGGEWKKQE-QZTJIDSGSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2nccn2C)CC1 ZINC000997951787 705071664 /nfs/dbraw/zinc/07/16/64/705071664.db2.gz ZTWQNULQZLJLNW-IAGOWNOFSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000997951787 705071666 /nfs/dbraw/zinc/07/16/66/705071666.db2.gz ZTWQNULQZLJLNW-IAGOWNOFSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2nccn2C)CC1 ZINC000997951787 705071667 /nfs/dbraw/zinc/07/16/67/705071667.db2.gz ZTWQNULQZLJLNW-IAGOWNOFSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2nccn2C)CC1 ZINC000997951787 705071669 /nfs/dbraw/zinc/07/16/69/705071669.db2.gz ZTWQNULQZLJLNW-IAGOWNOFSA-N 2 1 347.507 1.717 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccnn3C)CC2)CC[N@H+]1C ZINC000998005291 705163252 /nfs/dbraw/zinc/16/32/52/705163252.db2.gz UDKNPAQCIMBKAF-RDJZCZTQSA-N 2 1 347.507 1.479 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC000998078262 705298996 /nfs/dbraw/zinc/29/89/96/705298996.db2.gz KQOYVRWKAIGVNZ-KBXCAEBGSA-N 2 1 345.491 1.311 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]Cc3cncn3C)CC2)C1 ZINC000998081225 705301313 /nfs/dbraw/zinc/30/13/13/705301313.db2.gz HEBSCLPHEZKXLN-HNNXBMFYSA-N 2 1 333.480 1.090 20 0 EDADMP CCc1nc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)no1 ZINC000998081629 705302967 /nfs/dbraw/zinc/30/29/67/705302967.db2.gz KVXXYCHHAGYKMO-AWEZNQCLSA-N 2 1 349.479 1.302 20 0 EDADMP CCc1nc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)no1 ZINC000998081629 705302972 /nfs/dbraw/zinc/30/29/72/705302972.db2.gz KVXXYCHHAGYKMO-AWEZNQCLSA-N 2 1 349.479 1.302 20 0 EDADMP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000998081637 705302983 /nfs/dbraw/zinc/30/29/83/705302983.db2.gz KXOVAYVNJAYXNC-HNNXBMFYSA-N 2 1 347.507 1.541 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000998082660 705310289 /nfs/dbraw/zinc/31/02/89/705310289.db2.gz RYMMIWWZBRRQJQ-MRXNPFEDSA-N 2 1 330.476 1.894 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC[C@H]3CCCCO3)C2)CC1 ZINC001015898518 705420619 /nfs/dbraw/zinc/42/06/19/705420619.db2.gz FRJDRPNOWHVAIZ-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP CCn1ccnc1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998216602 705539139 /nfs/dbraw/zinc/53/91/39/705539139.db2.gz IACIRHYVQMWEIX-KRWDZBQOSA-N 2 1 347.507 1.573 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cs1 ZINC000998265295 705632120 /nfs/dbraw/zinc/63/21/20/705632120.db2.gz KLMDLQCFNUEDCL-HNNXBMFYSA-N 2 1 336.505 1.731 20 0 EDADMP CCc1onc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998266831 705635806 /nfs/dbraw/zinc/63/58/06/705635806.db2.gz RSAKOUAAZFDLRM-INIZCTEOSA-N 2 1 348.491 1.825 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2nncn2C)CC1 ZINC000998286937 705677595 /nfs/dbraw/zinc/67/75/95/705677595.db2.gz MVPGLOXBVWKGKH-GASCZTMLSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@@H](O)c2ccccc2)C1 ZINC001032627955 705739885 /nfs/dbraw/zinc/73/98/85/705739885.db2.gz NLRINSUMWNCTOB-XGXHKWSGSA-N 2 1 343.471 1.347 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@@H](O)c2ccccc2)C1 ZINC001032627955 705739889 /nfs/dbraw/zinc/73/98/89/705739889.db2.gz NLRINSUMWNCTOB-XGXHKWSGSA-N 2 1 343.471 1.347 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](O)c2ccccc2)C1 ZINC001032627955 705739894 /nfs/dbraw/zinc/73/98/94/705739894.db2.gz NLRINSUMWNCTOB-XGXHKWSGSA-N 2 1 343.471 1.347 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H](O)c2ccccc2)C1 ZINC001032627955 705739899 /nfs/dbraw/zinc/73/98/99/705739899.db2.gz NLRINSUMWNCTOB-XGXHKWSGSA-N 2 1 343.471 1.347 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000998548955 705984937 /nfs/dbraw/zinc/98/49/37/705984937.db2.gz JKWDZAVTXMWUGX-KVULBXGLSA-N 2 1 332.448 1.725 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC000998729094 706159775 /nfs/dbraw/zinc/15/97/75/706159775.db2.gz FQLNPTRGOLVQMZ-RHSMWYFYSA-N 2 1 343.431 1.398 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000998733850 706167401 /nfs/dbraw/zinc/16/74/01/706167401.db2.gz UQONELQCTRAWOA-DLBZAZTESA-N 2 1 347.507 1.813 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998762392 706200380 /nfs/dbraw/zinc/20/03/80/706200380.db2.gz CSAHIFKMXXHEQZ-ZBCRRDGASA-N 2 1 335.452 1.330 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998762392 706200382 /nfs/dbraw/zinc/20/03/82/706200382.db2.gz CSAHIFKMXXHEQZ-ZBCRRDGASA-N 2 1 335.452 1.330 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998763559 706202752 /nfs/dbraw/zinc/20/27/52/706202752.db2.gz NQGSXGHUVNJUED-OFLPRAFFSA-N 2 1 333.480 1.372 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nonc3C)C2)CC[N@@H+]1C ZINC000998793311 706239722 /nfs/dbraw/zinc/23/97/22/706239722.db2.gz HCNCXICBMDHOGP-VKJZCYHPSA-N 2 1 335.452 1.187 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nonc3C)C2)CC[N@H+]1C ZINC000998793311 706239726 /nfs/dbraw/zinc/23/97/26/706239726.db2.gz HCNCXICBMDHOGP-VKJZCYHPSA-N 2 1 335.452 1.187 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000998794670 706241366 /nfs/dbraw/zinc/24/13/66/706241366.db2.gz DEPSQOZNMZMZRV-XSCHDIRWSA-N 2 1 349.479 1.441 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000998794670 706241369 /nfs/dbraw/zinc/24/13/69/706241369.db2.gz DEPSQOZNMZMZRV-XSCHDIRWSA-N 2 1 349.479 1.441 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2csnn2)C1 ZINC000998864807 706294417 /nfs/dbraw/zinc/29/44/17/706294417.db2.gz BXHCYJBWWFSECI-ZALBZXLWSA-N 2 1 337.493 1.492 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2csnn2)C1 ZINC000998864807 706294421 /nfs/dbraw/zinc/29/44/21/706294421.db2.gz BXHCYJBWWFSECI-ZALBZXLWSA-N 2 1 337.493 1.492 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000998867281 706296801 /nfs/dbraw/zinc/29/68/01/706296801.db2.gz PLZYRNOVYRLKPC-DAWZGUTISA-N 2 1 347.507 1.416 20 0 EDADMP CN(C(=O)c1cc2c[nH]ccc-2n1)C1CC(NCc2ccn(C)n2)C1 ZINC000998988887 706420437 /nfs/dbraw/zinc/42/04/37/706420437.db2.gz OKEXMKNIDJRZNA-UHFFFAOYSA-N 2 1 338.415 1.689 20 0 EDADMP CCc1cnc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000999051845 706472783 /nfs/dbraw/zinc/47/27/83/706472783.db2.gz SSUBXFDOCJASCC-UHFFFAOYSA-N 2 1 346.475 1.944 20 0 EDADMP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999145998 706559751 /nfs/dbraw/zinc/55/97/51/706559751.db2.gz TZUJKICQVBSDLC-HZPDHXFCSA-N 2 1 334.464 1.936 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccn(C)n3)C2)C1 ZINC000999349837 706861881 /nfs/dbraw/zinc/86/18/81/706861881.db2.gz VKRONHHYTITRNW-AEFFLSMTSA-N 2 1 347.507 1.479 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]CCc2ccns2)C1)C1CCC1 ZINC000999372576 706886861 /nfs/dbraw/zinc/88/68/61/706886861.db2.gz CIQSKNIGFFTXLU-CQSZACIVSA-N 2 1 336.505 1.751 20 0 EDADMP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)s1 ZINC000999401928 706909866 /nfs/dbraw/zinc/90/98/66/706909866.db2.gz BBJRNIIRNIOSBA-LRVUVFPRSA-N 2 1 336.505 1.872 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3ncc(C4CC4)o3)C2)C1 ZINC000999403446 706912139 /nfs/dbraw/zinc/91/21/39/706912139.db2.gz OZTKDUSXAZEOEY-JEYLPNPQSA-N 2 1 346.475 1.973 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3ncc(C4CC4)o3)C2)C1 ZINC000999403446 706912142 /nfs/dbraw/zinc/91/21/42/706912142.db2.gz OZTKDUSXAZEOEY-JEYLPNPQSA-N 2 1 346.475 1.973 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC000999409226 706919259 /nfs/dbraw/zinc/91/92/59/706919259.db2.gz QAJIRIWDTQGHRE-UHFFFAOYSA-N 2 1 349.479 1.443 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC000999409226 706919261 /nfs/dbraw/zinc/91/92/61/706919261.db2.gz QAJIRIWDTQGHRE-UHFFFAOYSA-N 2 1 349.479 1.443 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]CCC3CCOCC3)C2)C1 ZINC000999409838 706919949 /nfs/dbraw/zinc/91/99/49/706919949.db2.gz TZZXMJZXCNYFMP-FAEJEUNOSA-N 2 1 337.508 1.724 20 0 EDADMP CCc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)o1 ZINC000999434397 706941794 /nfs/dbraw/zinc/94/17/94/706941794.db2.gz MWOXSZMWFVLUHD-PBHICJAKSA-N 2 1 336.480 1.904 20 0 EDADMP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)on1 ZINC000999511861 707010498 /nfs/dbraw/zinc/01/04/98/707010498.db2.gz MYCBIBLIQBHFSZ-HIFRSBDPSA-N 2 1 336.436 1.248 20 0 EDADMP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999515833 707015043 /nfs/dbraw/zinc/01/50/43/707015043.db2.gz YUIJIHVOMFMDON-NVXWUHKLSA-N 2 1 331.464 1.350 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999680829 707165505 /nfs/dbraw/zinc/16/55/05/707165505.db2.gz ASFUMNWPLFKPMR-FHERZECASA-N 2 1 348.491 1.966 20 0 EDADMP CN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033255258 707244714 /nfs/dbraw/zinc/24/47/14/707244714.db2.gz IXQODGLHWBGGPZ-INIZCTEOSA-N 2 1 325.416 1.824 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2nccnc2C)C1 ZINC000999723712 707263893 /nfs/dbraw/zinc/26/38/93/707263893.db2.gz GWOHSQYRZBEOCM-HNNXBMFYSA-N 2 1 328.420 1.071 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000999707693 707298751 /nfs/dbraw/zinc/29/87/51/707298751.db2.gz KJCQKELKZNQCHM-UHFFFAOYSA-N 2 1 349.504 1.275 20 0 EDADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000999764395 707319005 /nfs/dbraw/zinc/31/90/05/707319005.db2.gz JQTDSUOZPHIFJI-VZDIDWBNSA-N 2 1 333.476 1.230 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999794824 707365842 /nfs/dbraw/zinc/36/58/42/707365842.db2.gz WBHGIXLWBBPWLJ-DOTOQJQBSA-N 2 1 347.463 1.333 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999794826 707366033 /nfs/dbraw/zinc/36/60/33/707366033.db2.gz WBHGIXLWBBPWLJ-RDJZCZTQSA-N 2 1 347.463 1.333 20 0 EDADMP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)[nH]1 ZINC000999788983 707406060 /nfs/dbraw/zinc/40/60/60/707406060.db2.gz DXWMFCCPTDBPDL-WBVHZDCISA-N 2 1 346.479 1.068 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199535 707449633 /nfs/dbraw/zinc/44/96/33/707449633.db2.gz UOFVCFKWXCVLMK-ROUUACIJSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033199535 707449638 /nfs/dbraw/zinc/44/96/38/707449638.db2.gz UOFVCFKWXCVLMK-ROUUACIJSA-N 2 1 330.476 1.907 20 0 EDADMP Cc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033199535 707449641 /nfs/dbraw/zinc/44/96/41/707449641.db2.gz UOFVCFKWXCVLMK-ROUUACIJSA-N 2 1 330.476 1.907 20 0 EDADMP COc1ccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC001033199802 707453893 /nfs/dbraw/zinc/45/38/93/707453893.db2.gz YTDOPDFBGNATLI-IAGOWNOFSA-N 2 1 346.475 1.607 20 0 EDADMP CC(C)Cc1noc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)n1 ZINC000999832193 707462362 /nfs/dbraw/zinc/46/23/62/707462362.db2.gz AAXNNWFUEMOOFX-UHFFFAOYSA-N 2 1 349.479 1.443 20 0 EDADMP CC(C)c1ocnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999832700 707463968 /nfs/dbraw/zinc/46/39/68/707463968.db2.gz VBGFTCTYKATILJ-WLYUNCDWSA-N 2 1 334.464 1.829 20 0 EDADMP C[C@H](NCc1cnn(C)n1)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004876234 707541831 /nfs/dbraw/zinc/54/18/31/707541831.db2.gz HSUCROVBYYTUOG-WMLDXEAASA-N 2 1 348.495 1.159 20 0 EDADMP C[C@H]([NH2+]Cc1cnn(C)n1)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004876234 707541838 /nfs/dbraw/zinc/54/18/38/707541838.db2.gz HSUCROVBYYTUOG-WMLDXEAASA-N 2 1 348.495 1.159 20 0 EDADMP CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)CC[C@@H]2C1 ZINC000946815875 707565956 /nfs/dbraw/zinc/56/59/56/707565956.db2.gz SRBARTIECNTKQY-IYBDPMFKSA-N 2 1 333.480 1.249 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CCC)C2)nn1 ZINC000999985807 707656478 /nfs/dbraw/zinc/65/64/78/707656478.db2.gz FMPXSMPBQDOOEP-IAGOWNOFSA-N 2 1 348.495 1.426 20 0 EDADMP CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3CCC)nn2)C1 ZINC000999985807 707656481 /nfs/dbraw/zinc/65/64/81/707656481.db2.gz FMPXSMPBQDOOEP-IAGOWNOFSA-N 2 1 348.495 1.426 20 0 EDADMP CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3CCC)nn2)C1 ZINC000999985807 707656485 /nfs/dbraw/zinc/65/64/85/707656485.db2.gz FMPXSMPBQDOOEP-IAGOWNOFSA-N 2 1 348.495 1.426 20 0 EDADMP COCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365279 707659492 /nfs/dbraw/zinc/65/94/92/707659492.db2.gz LWDGZTMALFEBPB-ZWKOTPCHSA-N 2 1 337.508 1.963 20 0 EDADMP COCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365279 707659495 /nfs/dbraw/zinc/65/94/95/707659495.db2.gz LWDGZTMALFEBPB-ZWKOTPCHSA-N 2 1 337.508 1.963 20 0 EDADMP COCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365279 707659496 /nfs/dbraw/zinc/65/94/96/707659496.db2.gz LWDGZTMALFEBPB-ZWKOTPCHSA-N 2 1 337.508 1.963 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033358038 707677661 /nfs/dbraw/zinc/67/76/61/707677661.db2.gz FXHJFUYGNACZJH-QRTARXTBSA-N 2 1 334.464 1.746 20 0 EDADMP Cc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033358038 707677666 /nfs/dbraw/zinc/67/76/66/707677666.db2.gz FXHJFUYGNACZJH-QRTARXTBSA-N 2 1 334.464 1.746 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033358038 707677671 /nfs/dbraw/zinc/67/76/71/707677671.db2.gz FXHJFUYGNACZJH-QRTARXTBSA-N 2 1 334.464 1.746 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033358038 707677674 /nfs/dbraw/zinc/67/76/74/707677674.db2.gz FXHJFUYGNACZJH-QRTARXTBSA-N 2 1 334.464 1.746 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccnc3)C2)CC[N@H+]1C ZINC001033361075 707690303 /nfs/dbraw/zinc/69/03/03/707690303.db2.gz LJXHEMOIAHYMPT-SZMVWBNQSA-N 2 1 330.476 1.845 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cccnc3)C2)CC[NH+]1C ZINC001033361075 707690308 /nfs/dbraw/zinc/69/03/08/707690308.db2.gz LJXHEMOIAHYMPT-SZMVWBNQSA-N 2 1 330.476 1.845 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cccnc3)C2)CC[NH+]1C ZINC001033361075 707690311 /nfs/dbraw/zinc/69/03/11/707690311.db2.gz LJXHEMOIAHYMPT-SZMVWBNQSA-N 2 1 330.476 1.845 20 0 EDADMP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001032725718 707713027 /nfs/dbraw/zinc/71/30/27/707713027.db2.gz YOLADWIACCRCKG-JLSDUUJJSA-N 2 1 335.492 1.428 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033417072 707798477 /nfs/dbraw/zinc/79/84/77/707798477.db2.gz UZVWLJVGRDNRRK-LPHOPBHVSA-N 2 1 345.487 1.696 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033417072 707798480 /nfs/dbraw/zinc/79/84/80/707798480.db2.gz UZVWLJVGRDNRRK-LPHOPBHVSA-N 2 1 345.487 1.696 20 0 EDADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033417072 707798485 /nfs/dbraw/zinc/79/84/85/707798485.db2.gz UZVWLJVGRDNRRK-LPHOPBHVSA-N 2 1 345.487 1.696 20 0 EDADMP C[C@H]([NH2+]Cc1cnon1)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004975044 707805555 /nfs/dbraw/zinc/80/55/55/707805555.db2.gz BPYDJWZBDUGNOG-DZGCQCFKSA-N 2 1 333.436 1.025 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3cnc4n3CCOC4)C2)nc(C)[nH+]1 ZINC000921699514 707817432 /nfs/dbraw/zinc/81/74/32/707817432.db2.gz JIOKJGOYXKYFCG-HNNXBMFYSA-N 2 1 342.447 1.579 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001033425379 707844791 /nfs/dbraw/zinc/84/47/91/707844791.db2.gz IVALMFXATYHUBJ-DLBZAZTESA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CC[C@H]2CCOC2)C1 ZINC001033425379 707844794 /nfs/dbraw/zinc/84/47/94/707844794.db2.gz IVALMFXATYHUBJ-DLBZAZTESA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CC[C@H]2CCOC2)C1 ZINC001033425379 707844796 /nfs/dbraw/zinc/84/47/96/707844796.db2.gz IVALMFXATYHUBJ-DLBZAZTESA-N 2 1 337.508 1.678 20 0 EDADMP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc(C)[nH+]1 ZINC001061653752 707855001 /nfs/dbraw/zinc/85/50/01/707855001.db2.gz ZKGATTRJYBDEGR-DOTOQJQBSA-N 2 1 343.475 1.378 20 0 EDADMP CN1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CC4CCC4)C[C@H]3CC2)C1 ZINC000946536275 707894447 /nfs/dbraw/zinc/89/44/47/707894447.db2.gz IDDOJGFKQMPTLH-KSZLIROESA-N 2 1 335.492 1.288 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CC4CCC4)C[C@H]3CC2)C1 ZINC000946536275 707894448 /nfs/dbraw/zinc/89/44/48/707894448.db2.gz IDDOJGFKQMPTLH-KSZLIROESA-N 2 1 335.492 1.288 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CC4CCC4)C[C@H]3CC2)C1 ZINC000946536275 707894449 /nfs/dbraw/zinc/89/44/49/707894449.db2.gz IDDOJGFKQMPTLH-KSZLIROESA-N 2 1 335.492 1.288 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC4CCC4)C[C@H]3CC2)C1 ZINC000946536275 707894450 /nfs/dbraw/zinc/89/44/50/707894450.db2.gz IDDOJGFKQMPTLH-KSZLIROESA-N 2 1 335.492 1.288 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CC4CCC4)C[C@H]3CC2)C1 ZINC000946536275 707894452 /nfs/dbraw/zinc/89/44/52/707894452.db2.gz IDDOJGFKQMPTLH-KSZLIROESA-N 2 1 335.492 1.288 20 0 EDADMP CCc1nc(NC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cc(C)[nH+]1 ZINC001060933691 707952410 /nfs/dbraw/zinc/95/24/10/707952410.db2.gz RFIPCFSYONPOIW-KSSFIOAISA-N 2 1 345.491 1.948 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001033474621 707964100 /nfs/dbraw/zinc/96/41/00/707964100.db2.gz ITPCROWPRYGKHT-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CCc1nc(C)c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001032781529 707968899 /nfs/dbraw/zinc/96/88/99/707968899.db2.gz YPHNQIBYISWWSA-KKUMJFAQSA-N 2 1 332.448 1.282 20 0 EDADMP CN(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCO)c1ccccc1 ZINC001049914295 708066025 /nfs/dbraw/zinc/06/60/25/708066025.db2.gz OAIGLRYDJTVBIL-FHWLQOOXSA-N 2 1 345.487 1.737 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCO)c1ccccc1 ZINC001049914295 708066026 /nfs/dbraw/zinc/06/60/26/708066026.db2.gz OAIGLRYDJTVBIL-FHWLQOOXSA-N 2 1 345.487 1.737 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCO)c1ccccc1 ZINC001049914295 708066027 /nfs/dbraw/zinc/06/60/27/708066027.db2.gz OAIGLRYDJTVBIL-FHWLQOOXSA-N 2 1 345.487 1.737 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncc(Cl)s3)C2)C1 ZINC001000915189 708076500 /nfs/dbraw/zinc/07/65/00/708076500.db2.gz BQPBLGKJAGVMEM-NEPJUHHUSA-N 2 1 342.896 1.829 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncc(Cl)s3)C2)C1 ZINC001000915189 708076501 /nfs/dbraw/zinc/07/65/01/708076501.db2.gz BQPBLGKJAGVMEM-NEPJUHHUSA-N 2 1 342.896 1.829 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005185095 708112450 /nfs/dbraw/zinc/11/24/50/708112450.db2.gz PQEBCWLKUOEZES-YOEHRIQHSA-N 2 1 331.464 1.555 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005185095 708112451 /nfs/dbraw/zinc/11/24/51/708112451.db2.gz PQEBCWLKUOEZES-YOEHRIQHSA-N 2 1 331.464 1.555 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)ncn1 ZINC001005185492 708121920 /nfs/dbraw/zinc/12/19/20/708121920.db2.gz RZBCNTFPFMGXKN-QGZVFWFLSA-N 2 1 331.464 1.302 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)ncn1 ZINC001005185492 708121924 /nfs/dbraw/zinc/12/19/24/708121924.db2.gz RZBCNTFPFMGXKN-QGZVFWFLSA-N 2 1 331.464 1.302 20 0 EDADMP Cc1ncccc1C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001005180061 708123050 /nfs/dbraw/zinc/12/30/50/708123050.db2.gz QEGRXVVMPRAOCW-GOSISDBHSA-N 2 1 330.476 1.907 20 0 EDADMP COc1nccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001005180119 708123168 /nfs/dbraw/zinc/12/31/68/708123168.db2.gz QORMAVFVZWQRTQ-INIZCTEOSA-N 2 1 347.463 1.002 20 0 EDADMP COc1nccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001005180119 708123172 /nfs/dbraw/zinc/12/31/72/708123172.db2.gz QORMAVFVZWQRTQ-INIZCTEOSA-N 2 1 347.463 1.002 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)sn1 ZINC001033586753 708277606 /nfs/dbraw/zinc/27/76/06/708277606.db2.gz ABRGAXUNUVCCJO-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)sn1 ZINC001033586753 708277611 /nfs/dbraw/zinc/27/76/11/708277611.db2.gz ABRGAXUNUVCCJO-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)sn1 ZINC001033586753 708277612 /nfs/dbraw/zinc/27/76/12/708277612.db2.gz ABRGAXUNUVCCJO-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)sn1 ZINC001033586753 708277616 /nfs/dbraw/zinc/27/76/16/708277616.db2.gz ABRGAXUNUVCCJO-LSDHHAIUSA-N 2 1 336.505 1.826 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033591462 708289134 /nfs/dbraw/zinc/28/91/34/708289134.db2.gz CHDQZXDKGPBZIF-QGZVFWFLSA-N 2 1 328.460 1.519 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC001033594848 708297360 /nfs/dbraw/zinc/29/73/60/708297360.db2.gz RIIMPGIKJOBWKB-OAHLLOKOSA-N 2 1 348.516 1.888 20 0 EDADMP COC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001832284 708358225 /nfs/dbraw/zinc/35/82/25/708358225.db2.gz DDDCNOFNLSBDJV-WMLDXEAASA-N 2 1 348.491 1.617 20 0 EDADMP Cc1oncc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001835024 708361463 /nfs/dbraw/zinc/36/14/63/708361463.db2.gz UNSMAJBNNQYCTG-DYVFJYSZSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001033665078 708447611 /nfs/dbraw/zinc/44/76/11/708447611.db2.gz LFSYYMYHBCIBSA-CABCVRRESA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)s1 ZINC001033665078 708447615 /nfs/dbraw/zinc/44/76/15/708447615.db2.gz LFSYYMYHBCIBSA-CABCVRRESA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)s1 ZINC001033665078 708447618 /nfs/dbraw/zinc/44/76/18/708447618.db2.gz LFSYYMYHBCIBSA-CABCVRRESA-N 2 1 336.505 1.744 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3C)C2)C1 ZINC001033672531 708464610 /nfs/dbraw/zinc/46/46/10/708464610.db2.gz PTABGFUQABBUIK-OALUTQOASA-N 2 1 345.487 1.748 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3C)C2)C1 ZINC001033672531 708464611 /nfs/dbraw/zinc/46/46/11/708464611.db2.gz PTABGFUQABBUIK-OALUTQOASA-N 2 1 345.487 1.748 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C)C2)C1 ZINC001033672531 708464613 /nfs/dbraw/zinc/46/46/13/708464613.db2.gz PTABGFUQABBUIK-OALUTQOASA-N 2 1 345.487 1.748 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C)C2)C1 ZINC001033672531 708464615 /nfs/dbraw/zinc/46/46/15/708464615.db2.gz PTABGFUQABBUIK-OALUTQOASA-N 2 1 345.487 1.748 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033658770 708469446 /nfs/dbraw/zinc/46/94/46/708469446.db2.gz UHAGGDCTFDCEFW-ZWKOTPCHSA-N 2 1 337.508 1.556 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)ccc1C ZINC001033662205 708477145 /nfs/dbraw/zinc/47/71/45/708477145.db2.gz OWPHRPZOHLPBRK-MSOLQXFVSA-N 2 1 345.487 1.988 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)ccc1C ZINC001033662205 708477148 /nfs/dbraw/zinc/47/71/48/708477148.db2.gz OWPHRPZOHLPBRK-MSOLQXFVSA-N 2 1 345.487 1.988 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)ccc1C ZINC001033662205 708477150 /nfs/dbraw/zinc/47/71/50/708477150.db2.gz OWPHRPZOHLPBRK-MSOLQXFVSA-N 2 1 345.487 1.988 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C[C@@H](C)O)C2)o1 ZINC001033698980 708546797 /nfs/dbraw/zinc/54/67/97/708546797.db2.gz HLZSOTWFNIXSRG-CABCVRRESA-N 2 1 337.464 1.649 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002125917 708641134 /nfs/dbraw/zinc/64/11/34/708641134.db2.gz MJTDSXMQNMSURF-INIZCTEOSA-N 2 1 348.491 1.825 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001033777815 708706036 /nfs/dbraw/zinc/70/60/36/708706036.db2.gz XQAPASGMVNZDPO-DOTOQJQBSA-N 2 1 334.464 1.754 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001033777815 708706039 /nfs/dbraw/zinc/70/60/39/708706039.db2.gz XQAPASGMVNZDPO-DOTOQJQBSA-N 2 1 334.464 1.754 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001033777815 708706042 /nfs/dbraw/zinc/70/60/42/708706042.db2.gz XQAPASGMVNZDPO-DOTOQJQBSA-N 2 1 334.464 1.754 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001033777815 708706044 /nfs/dbraw/zinc/70/60/44/708706044.db2.gz XQAPASGMVNZDPO-DOTOQJQBSA-N 2 1 334.464 1.754 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033908007 709040590 /nfs/dbraw/zinc/04/05/90/709040590.db2.gz WZKHXWLZBQKLPF-AGYKMIKPSA-N 2 1 347.503 1.573 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001033908007 709040594 /nfs/dbraw/zinc/04/05/94/709040594.db2.gz WZKHXWLZBQKLPF-AGYKMIKPSA-N 2 1 347.503 1.573 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001033908007 709040598 /nfs/dbraw/zinc/04/05/98/709040598.db2.gz WZKHXWLZBQKLPF-AGYKMIKPSA-N 2 1 347.503 1.573 20 0 EDADMP Cc1ccccc1[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002523542 709078427 /nfs/dbraw/zinc/07/84/27/709078427.db2.gz ONISCDFGFLNPBF-QFBILLFUSA-N 2 1 345.487 1.967 20 0 EDADMP Cc1ccccc1[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002523542 709078429 /nfs/dbraw/zinc/07/84/29/709078429.db2.gz ONISCDFGFLNPBF-QFBILLFUSA-N 2 1 345.487 1.967 20 0 EDADMP CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033939287 709144464 /nfs/dbraw/zinc/14/44/64/709144464.db2.gz GPBQYLAFAQDKHH-NVXWUHKLSA-N 2 1 334.464 1.059 20 0 EDADMP CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033939287 709144465 /nfs/dbraw/zinc/14/44/65/709144465.db2.gz GPBQYLAFAQDKHH-NVXWUHKLSA-N 2 1 334.464 1.059 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001033942272 709149468 /nfs/dbraw/zinc/14/94/68/709149468.db2.gz YOBKRIBPNXOERQ-SFHVURJKSA-N 2 1 345.491 1.550 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001033942272 709149470 /nfs/dbraw/zinc/14/94/70/709149470.db2.gz YOBKRIBPNXOERQ-SFHVURJKSA-N 2 1 345.491 1.550 20 0 EDADMP CCc1onc(C)c1C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034037628 709269147 /nfs/dbraw/zinc/26/91/47/709269147.db2.gz CUQFRXGSOKBEFP-JKSUJKDBSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034037628 709269148 /nfs/dbraw/zinc/26/91/48/709269148.db2.gz CUQFRXGSOKBEFP-JKSUJKDBSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1onc(C)c1C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034037628 709269149 /nfs/dbraw/zinc/26/91/49/709269149.db2.gz CUQFRXGSOKBEFP-JKSUJKDBSA-N 2 1 348.491 1.920 20 0 EDADMP COc1ccc(CN2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001034139143 709389156 /nfs/dbraw/zinc/38/91/56/709389156.db2.gz RHHZDIFZLSTVAU-ZBFHGGJFSA-N 2 1 347.463 1.050 20 0 EDADMP COc1ccc(CN2CCCC[C@@H](NC(=O)[C@@H]3CCCN3C)C2)nn1 ZINC001034139143 709389158 /nfs/dbraw/zinc/38/91/58/709389158.db2.gz RHHZDIFZLSTVAU-ZBFHGGJFSA-N 2 1 347.463 1.050 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC001034144662 709415516 /nfs/dbraw/zinc/41/55/16/709415516.db2.gz BWEBFFOUYBIJHO-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC001034144662 709415517 /nfs/dbraw/zinc/41/55/17/709415517.db2.gz BWEBFFOUYBIJHO-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001034144662 709415519 /nfs/dbraw/zinc/41/55/19/709415519.db2.gz BWEBFFOUYBIJHO-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001034144662 709415521 /nfs/dbraw/zinc/41/55/21/709415521.db2.gz BWEBFFOUYBIJHO-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCCC3)C2)C1 ZINC001034148298 709419327 /nfs/dbraw/zinc/41/93/27/709419327.db2.gz HIZPKUYNKZQETH-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCCC3)C2)C1 ZINC001034148298 709419330 /nfs/dbraw/zinc/41/93/30/709419330.db2.gz HIZPKUYNKZQETH-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](CC3CCCCC3)C2)C1 ZINC001034148298 709419333 /nfs/dbraw/zinc/41/93/33/709419333.db2.gz HIZPKUYNKZQETH-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001034148298 709419336 /nfs/dbraw/zinc/41/93/36/709419336.db2.gz HIZPKUYNKZQETH-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002833054 709443549 /nfs/dbraw/zinc/44/35/49/709443549.db2.gz NVQXXSKVZDYHEC-PBHICJAKSA-N 2 1 343.475 1.460 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001002859284 709466911 /nfs/dbraw/zinc/46/69/11/709466911.db2.gz OSGMIKWMVKKMHG-DLBZAZTESA-N 2 1 333.480 1.231 20 0 EDADMP COC(=O)COc1ccccc1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000922064296 709539344 /nfs/dbraw/zinc/53/93/44/709539344.db2.gz TYQGDXNXBGKUNM-AWEZNQCLSA-N 2 1 329.400 1.787 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001002954638 709654859 /nfs/dbraw/zinc/65/48/59/709654859.db2.gz HDUZIXKDORXSDW-QGZVFWFLSA-N 2 1 333.480 1.375 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001002954638 709654861 /nfs/dbraw/zinc/65/48/61/709654861.db2.gz HDUZIXKDORXSDW-QGZVFWFLSA-N 2 1 333.480 1.375 20 0 EDADMP COCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289567 709712975 /nfs/dbraw/zinc/71/29/75/709712975.db2.gz VFZKGYCFXAVNGB-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP COCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034289567 709712976 /nfs/dbraw/zinc/71/29/76/709712976.db2.gz VFZKGYCFXAVNGB-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP COCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034289567 709712980 /nfs/dbraw/zinc/71/29/80/709712980.db2.gz VFZKGYCFXAVNGB-SJORKVTESA-N 2 1 325.497 1.724 20 0 EDADMP COC[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309890 709752645 /nfs/dbraw/zinc/75/26/45/709752645.db2.gz PQVZQWKPCXBZGU-ZBFHGGJFSA-N 2 1 330.432 1.954 20 0 EDADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319117 709768593 /nfs/dbraw/zinc/76/85/93/709768593.db2.gz GRHKRHUCDAUGOO-NNVNDSJASA-N 2 1 349.519 1.866 20 0 EDADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034319117 709768597 /nfs/dbraw/zinc/76/85/97/709768597.db2.gz GRHKRHUCDAUGOO-NNVNDSJASA-N 2 1 349.519 1.866 20 0 EDADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034319117 709768602 /nfs/dbraw/zinc/76/86/02/709768602.db2.gz GRHKRHUCDAUGOO-NNVNDSJASA-N 2 1 349.519 1.866 20 0 EDADMP CCCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319672 709769398 /nfs/dbraw/zinc/76/93/98/709769398.db2.gz KBNKBLHNSVKZFL-VIHIWDAPSA-N 2 1 335.492 1.620 20 0 EDADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034319672 709769401 /nfs/dbraw/zinc/76/94/01/709769401.db2.gz KBNKBLHNSVKZFL-VIHIWDAPSA-N 2 1 335.492 1.620 20 0 EDADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034319672 709769404 /nfs/dbraw/zinc/76/94/04/709769404.db2.gz KBNKBLHNSVKZFL-VIHIWDAPSA-N 2 1 335.492 1.620 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CCC2)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321553 709771950 /nfs/dbraw/zinc/77/19/50/709771950.db2.gz UYIPZXCVDNEKAC-NNVNDSJASA-N 2 1 347.503 1.620 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CC2CCC2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001034321553 709771951 /nfs/dbraw/zinc/77/19/51/709771951.db2.gz UYIPZXCVDNEKAC-NNVNDSJASA-N 2 1 347.503 1.620 20 0 EDADMP O=C(N[C@@H]1CCCC[NH+](CC2CCC2)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001034321553 709771954 /nfs/dbraw/zinc/77/19/54/709771954.db2.gz UYIPZXCVDNEKAC-NNVNDSJASA-N 2 1 347.503 1.620 20 0 EDADMP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1)OC ZINC001003015852 709802402 /nfs/dbraw/zinc/80/24/02/709802402.db2.gz FCBARFMHNPKZBU-JKSUJKDBSA-N 2 1 334.464 1.766 20 0 EDADMP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)[C@@H]1CCCc2[nH+]ccn21 ZINC001003016090 709803383 /nfs/dbraw/zinc/80/33/83/709803383.db2.gz JDEBLXMSQGIBGL-WBVHZDCISA-N 2 1 346.475 1.768 20 0 EDADMP Cn1nccc1CC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034375780 709870962 /nfs/dbraw/zinc/87/09/62/709870962.db2.gz FWQOFNFYGWHKNS-KRWDZBQOSA-N 2 1 347.507 1.275 20 0 EDADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034396908 709936499 /nfs/dbraw/zinc/93/64/99/709936499.db2.gz IVAVLXCWKGBVHT-WBVHZDCISA-N 2 1 333.480 1.375 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](Cc2cnn(C)c2)C1 ZINC001034396908 709936501 /nfs/dbraw/zinc/93/65/01/709936501.db2.gz IVAVLXCWKGBVHT-WBVHZDCISA-N 2 1 333.480 1.375 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](Cc2cnn(C)c2)C1 ZINC001034396908 709936503 /nfs/dbraw/zinc/93/65/03/709936503.db2.gz IVAVLXCWKGBVHT-WBVHZDCISA-N 2 1 333.480 1.375 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001034396908 709936505 /nfs/dbraw/zinc/93/65/05/709936505.db2.gz IVAVLXCWKGBVHT-WBVHZDCISA-N 2 1 333.480 1.375 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)on1 ZINC001034402578 709948654 /nfs/dbraw/zinc/94/86/54/709948654.db2.gz QMZRLJDPBNFEQK-ZBFHGGJFSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)on1 ZINC001034402578 709948658 /nfs/dbraw/zinc/94/86/58/709948658.db2.gz QMZRLJDPBNFEQK-ZBFHGGJFSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)on1 ZINC001034402578 709948661 /nfs/dbraw/zinc/94/86/61/709948661.db2.gz QMZRLJDPBNFEQK-ZBFHGGJFSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)on1 ZINC001034402578 709948666 /nfs/dbraw/zinc/94/86/66/709948666.db2.gz QMZRLJDPBNFEQK-ZBFHGGJFSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001034491321 710110594 /nfs/dbraw/zinc/11/05/94/710110594.db2.gz SPMAQFMTTXBNSE-DLBZAZTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001034491321 710110596 /nfs/dbraw/zinc/11/05/96/710110596.db2.gz SPMAQFMTTXBNSE-DLBZAZTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)ncn1 ZINC001034491321 710110598 /nfs/dbraw/zinc/11/05/98/710110598.db2.gz SPMAQFMTTXBNSE-DLBZAZTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)ncn1 ZINC001034491321 710110600 /nfs/dbraw/zinc/11/06/00/710110600.db2.gz SPMAQFMTTXBNSE-DLBZAZTESA-N 2 1 345.491 1.598 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3ccccn3)C2)C1 ZINC001034491592 710112544 /nfs/dbraw/zinc/11/25/44/710112544.db2.gz VTUCXJCMWSJRRR-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@H+](Cc3ccccn3)C2)C1 ZINC001034491592 710112545 /nfs/dbraw/zinc/11/25/45/710112545.db2.gz VTUCXJCMWSJRRR-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3ccccn3)C2)C1 ZINC001034491592 710112546 /nfs/dbraw/zinc/11/25/46/710112546.db2.gz VTUCXJCMWSJRRR-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP CCn1nncc1C[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003243675 710166860 /nfs/dbraw/zinc/16/68/60/710166860.db2.gz FCLZXCISUZLBNI-UHFFFAOYSA-N 2 1 346.479 1.007 20 0 EDADMP COc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034526210 710178609 /nfs/dbraw/zinc/17/86/09/710178609.db2.gz VYSLYLKIMUDESO-SJORKVTESA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034526210 710178611 /nfs/dbraw/zinc/17/86/11/710178611.db2.gz VYSLYLKIMUDESO-SJORKVTESA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034526210 710178613 /nfs/dbraw/zinc/17/86/13/710178613.db2.gz VYSLYLKIMUDESO-SJORKVTESA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034526210 710178615 /nfs/dbraw/zinc/17/86/15/710178615.db2.gz VYSLYLKIMUDESO-SJORKVTESA-N 2 1 346.475 1.513 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC001003319936 710248399 /nfs/dbraw/zinc/24/83/99/710248399.db2.gz YXCLOFKAIUITAM-QAPCUYQASA-N 2 1 332.448 1.199 20 0 EDADMP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC001034647228 710323904 /nfs/dbraw/zinc/32/39/04/710323904.db2.gz AQFXBURCKBZGQQ-PTNZTPPNSA-N 2 1 349.479 1.796 20 0 EDADMP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC001034647228 710323907 /nfs/dbraw/zinc/32/39/07/710323907.db2.gz AQFXBURCKBZGQQ-PTNZTPPNSA-N 2 1 349.479 1.796 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3csnn3)CC2)CC[N@@H+]1C ZINC001034647474 710324307 /nfs/dbraw/zinc/32/43/07/710324307.db2.gz IPWAYXVSEGKFQN-RGCMKSIDSA-N 2 1 337.493 1.395 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3csnn3)CC2)CC[N@H+]1C ZINC001034647474 710324309 /nfs/dbraw/zinc/32/43/09/710324309.db2.gz IPWAYXVSEGKFQN-RGCMKSIDSA-N 2 1 337.493 1.395 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)n2)CC1 ZINC001034658240 710342847 /nfs/dbraw/zinc/34/28/47/710342847.db2.gz BUPPIHACNSSIRG-BFYDXBDKSA-N 2 1 348.495 1.207 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3cncn3C)CC2)C1 ZINC001003482995 710377671 /nfs/dbraw/zinc/37/76/71/710377671.db2.gz MPMWCKJSLAYQSD-MRXNPFEDSA-N 2 1 347.507 1.623 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3cncn3C)CC2)C1 ZINC001003482995 710377673 /nfs/dbraw/zinc/37/76/73/710377673.db2.gz MPMWCKJSLAYQSD-MRXNPFEDSA-N 2 1 347.507 1.623 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001003626511 710455862 /nfs/dbraw/zinc/45/58/62/710455862.db2.gz RJPVOCXMDBFYCR-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001003626511 710455864 /nfs/dbraw/zinc/45/58/64/710455864.db2.gz RJPVOCXMDBFYCR-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CCC[C@H]3CCOC3)CC2)C1 ZINC001003631138 710460424 /nfs/dbraw/zinc/46/04/24/710460424.db2.gz RKFLATWWRKMINZ-SJORKVTESA-N 2 1 337.508 1.726 20 0 EDADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1 ZINC001034675008 710626481 /nfs/dbraw/zinc/62/64/81/710626481.db2.gz XHOOYOSMZJCPNJ-YDHLFZDLSA-N 2 1 337.493 1.539 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1 ZINC001034675008 710626486 /nfs/dbraw/zinc/62/64/86/710626486.db2.gz XHOOYOSMZJCPNJ-YDHLFZDLSA-N 2 1 337.493 1.539 20 0 EDADMP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC001034674959 710626654 /nfs/dbraw/zinc/62/66/54/710626654.db2.gz VXFGJUZQNUWMCT-TUUVXOQKSA-N 2 1 348.495 1.675 20 0 EDADMP CC[C@H](F)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005586158 710633227 /nfs/dbraw/zinc/63/32/27/710633227.db2.gz VPKSAGZOPOVDIV-IJEWVQPXSA-N 2 1 329.460 1.376 20 0 EDADMP CC[C@H](F)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005586158 710633230 /nfs/dbraw/zinc/63/32/30/710633230.db2.gz VPKSAGZOPOVDIV-IJEWVQPXSA-N 2 1 329.460 1.376 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)on1 ZINC001005593096 710641363 /nfs/dbraw/zinc/64/13/63/710641363.db2.gz QCUMZRXIJUXRTN-QGZVFWFLSA-N 2 1 334.464 1.890 20 0 EDADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)CC2)on1 ZINC001005593096 710641367 /nfs/dbraw/zinc/64/13/67/710641367.db2.gz QCUMZRXIJUXRTN-QGZVFWFLSA-N 2 1 334.464 1.890 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001034734016 710915780 /nfs/dbraw/zinc/91/57/80/710915780.db2.gz HAHSVWCKZRTWHX-FVQBIDKESA-N 2 1 334.464 1.842 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)ncn1 ZINC001034734711 710917457 /nfs/dbraw/zinc/91/74/57/710917457.db2.gz WAMLYHQXYNPCSZ-DJIMGWMZSA-N 2 1 345.491 1.644 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034736694 710923932 /nfs/dbraw/zinc/92/39/32/710923932.db2.gz AGKRBOFRICYPOH-MWQQHZPXSA-N 2 1 348.491 1.952 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034739166 710932762 /nfs/dbraw/zinc/93/27/62/710932762.db2.gz YKZBHRXMERRFTB-QSPRXWTASA-N 2 1 345.491 1.500 20 0 EDADMP Cc1nc(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)cs1 ZINC001032958442 710951400 /nfs/dbraw/zinc/95/14/00/710951400.db2.gz AFPPKFKYRSGFLX-CVEARBPZSA-N 2 1 336.505 1.621 20 0 EDADMP Cc1nc(CC[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)cs1 ZINC001032958442 710951405 /nfs/dbraw/zinc/95/14/05/710951405.db2.gz AFPPKFKYRSGFLX-CVEARBPZSA-N 2 1 336.505 1.621 20 0 EDADMP Cc1nc(CC[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC001032958442 710951410 /nfs/dbraw/zinc/95/14/10/710951410.db2.gz AFPPKFKYRSGFLX-CVEARBPZSA-N 2 1 336.505 1.621 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)o1 ZINC001032960298 710968364 /nfs/dbraw/zinc/96/83/64/710968364.db2.gz QRYRAODKJNDCHW-LSDHHAIUSA-N 2 1 334.464 1.672 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)o1 ZINC001032960298 710968369 /nfs/dbraw/zinc/96/83/69/710968369.db2.gz QRYRAODKJNDCHW-LSDHHAIUSA-N 2 1 334.464 1.672 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001032960298 710968372 /nfs/dbraw/zinc/96/83/72/710968372.db2.gz QRYRAODKJNDCHW-LSDHHAIUSA-N 2 1 334.464 1.672 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC001032960298 710968376 /nfs/dbraw/zinc/96/83/76/710968376.db2.gz QRYRAODKJNDCHW-LSDHHAIUSA-N 2 1 334.464 1.672 20 0 EDADMP CN(C)c1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)ccn1 ZINC001032969029 711046006 /nfs/dbraw/zinc/04/60/06/711046006.db2.gz URWZOVBARFYYCC-IAGOWNOFSA-N 2 1 345.491 1.275 20 0 EDADMP CN(C)c1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)ccn1 ZINC001032969029 711046009 /nfs/dbraw/zinc/04/60/09/711046009.db2.gz URWZOVBARFYYCC-IAGOWNOFSA-N 2 1 345.491 1.275 20 0 EDADMP CN(C)c1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)ccn1 ZINC001032969029 711046012 /nfs/dbraw/zinc/04/60/12/711046012.db2.gz URWZOVBARFYYCC-IAGOWNOFSA-N 2 1 345.491 1.275 20 0 EDADMP CN(C)c1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC001032969029 711046014 /nfs/dbraw/zinc/04/60/14/711046014.db2.gz URWZOVBARFYYCC-IAGOWNOFSA-N 2 1 345.491 1.275 20 0 EDADMP Cc1cccc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032975943 711067733 /nfs/dbraw/zinc/06/77/33/711067733.db2.gz LEJIFTLFZNXMRP-PKOBYXMFSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1cccc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032975943 711067738 /nfs/dbraw/zinc/06/77/38/711067738.db2.gz LEJIFTLFZNXMRP-PKOBYXMFSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1cccc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032975943 711067739 /nfs/dbraw/zinc/06/77/39/711067739.db2.gz LEJIFTLFZNXMRP-PKOBYXMFSA-N 2 1 345.487 1.667 20 0 EDADMP Cc1cccc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032975943 711067745 /nfs/dbraw/zinc/06/77/45/711067745.db2.gz LEJIFTLFZNXMRP-PKOBYXMFSA-N 2 1 345.487 1.667 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001003966456 711103954 /nfs/dbraw/zinc/10/39/54/711103954.db2.gz BZZWSSAFYUIWKX-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ccnc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001003966456 711103955 /nfs/dbraw/zinc/10/39/55/711103955.db2.gz BZZWSSAFYUIWKX-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001034796056 711115620 /nfs/dbraw/zinc/11/56/20/711115620.db2.gz CTQHUNXGYSJPBJ-UCNSEENLSA-N 2 1 349.479 1.768 20 0 EDADMP Cc1ccncc1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003969508 711117341 /nfs/dbraw/zinc/11/73/41/711117341.db2.gz XFHGNTGZXYUYNI-MRXNPFEDSA-N 2 1 330.476 1.812 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034796542 711128579 /nfs/dbraw/zinc/12/85/79/711128579.db2.gz IMVVOXOWOCDAPU-DSPLQEQRSA-N 2 1 347.507 1.810 20 0 EDADMP CCc1onc(C)c1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003974823 711134436 /nfs/dbraw/zinc/13/44/36/711134436.db2.gz LIISYIAJGXONFG-OAHLLOKOSA-N 2 1 348.491 1.968 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2CCN(Cc3cncc(F)c3)CC2)C1 ZINC001003968621 711139384 /nfs/dbraw/zinc/13/93/84/711139384.db2.gz RVQTYQDROYAFIZ-CQSZACIVSA-N 2 1 334.439 1.643 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3cncc(F)c3)CC2)C1 ZINC001003968621 711139386 /nfs/dbraw/zinc/13/93/86/711139386.db2.gz RVQTYQDROYAFIZ-CQSZACIVSA-N 2 1 334.439 1.643 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3cncc(F)c3)CC2)C1 ZINC001003968621 711139389 /nfs/dbraw/zinc/13/93/89/711139389.db2.gz RVQTYQDROYAFIZ-CQSZACIVSA-N 2 1 334.439 1.643 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccc(F)cn2)CC1)C12CC[NH+](CC1)C2 ZINC001003978764 711155958 /nfs/dbraw/zinc/15/59/58/711155958.db2.gz IQBZMYPVETZVRK-UHFFFAOYSA-N 2 1 332.423 1.397 20 0 EDADMP Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2)on1 ZINC001034810948 711173025 /nfs/dbraw/zinc/17/30/25/711173025.db2.gz ORIXEQGEVHUOEK-GOSISDBHSA-N 2 1 342.443 1.983 20 0 EDADMP Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2)on1 ZINC001034810948 711173028 /nfs/dbraw/zinc/17/30/28/711173028.db2.gz ORIXEQGEVHUOEK-GOSISDBHSA-N 2 1 342.443 1.983 20 0 EDADMP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001003983951 711184441 /nfs/dbraw/zinc/18/44/41/711184441.db2.gz WGPFCQKCLIDBHT-OAHLLOKOSA-N 2 1 346.475 1.768 20 0 EDADMP Cc1conc1CNCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001034831188 711237513 /nfs/dbraw/zinc/23/75/13/711237513.db2.gz LQGRNEGUUPFPPB-KRWDZBQOSA-N 2 1 342.443 1.841 20 0 EDADMP Cc1conc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001034831188 711237515 /nfs/dbraw/zinc/23/75/15/711237515.db2.gz LQGRNEGUUPFPPB-KRWDZBQOSA-N 2 1 342.443 1.841 20 0 EDADMP Cc1conc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001034831188 711237519 /nfs/dbraw/zinc/23/75/19/711237519.db2.gz LQGRNEGUUPFPPB-KRWDZBQOSA-N 2 1 342.443 1.841 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(Cl)s1 ZINC001034882735 711283830 /nfs/dbraw/zinc/28/38/30/711283830.db2.gz YZMDNVNLNHTDGQ-YPMHNXCESA-N 2 1 342.896 1.971 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)co1 ZINC001034936036 711364197 /nfs/dbraw/zinc/36/41/97/711364197.db2.gz HYGRNRLOTNGPSK-SJORKVTESA-N 2 1 334.464 1.936 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)co1 ZINC001034936036 711364201 /nfs/dbraw/zinc/36/42/01/711364201.db2.gz HYGRNRLOTNGPSK-SJORKVTESA-N 2 1 334.464 1.936 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC001004151283 711568889 /nfs/dbraw/zinc/56/88/89/711568889.db2.gz KDXIWGRASPMJKR-SFHVURJKSA-N 2 1 348.491 1.713 20 0 EDADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC001004151282 711568963 /nfs/dbraw/zinc/56/89/63/711568963.db2.gz KDXIWGRASPMJKR-GOSISDBHSA-N 2 1 348.491 1.713 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC3CC4(CCC4)C3)CC2)C1 ZINC001004177759 711632127 /nfs/dbraw/zinc/63/21/27/711632127.db2.gz AKBZWBRLLQJVDI-SFHVURJKSA-N 2 1 349.519 1.868 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC3CC4(CCC4)C3)CC2)C1 ZINC001004177759 711632129 /nfs/dbraw/zinc/63/21/29/711632129.db2.gz AKBZWBRLLQJVDI-SFHVURJKSA-N 2 1 349.519 1.868 20 0 EDADMP Cc1nc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)co1 ZINC001033143722 711952895 /nfs/dbraw/zinc/95/28/95/711952895.db2.gz KKVQJKWTYUHRJB-SJLPKXTDSA-N 2 1 348.491 1.994 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001033147145 712038367 /nfs/dbraw/zinc/03/83/67/712038367.db2.gz UEPGGPSYNKCIAR-SJORKVTESA-N 2 1 348.495 1.074 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033147145 712038369 /nfs/dbraw/zinc/03/83/69/712038369.db2.gz UEPGGPSYNKCIAR-SJORKVTESA-N 2 1 348.495 1.074 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033147145 712038370 /nfs/dbraw/zinc/03/83/70/712038370.db2.gz UEPGGPSYNKCIAR-SJORKVTESA-N 2 1 348.495 1.074 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@@H]2CCC[N@H+]2C[C@@H](C)O)CC1 ZINC001004618993 712079818 /nfs/dbraw/zinc/07/98/18/712079818.db2.gz ZBSFBBYOXUPJFV-PBHICJAKSA-N 2 1 334.464 1.275 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2C[C@@H](C)O)CC1 ZINC001004618993 712079821 /nfs/dbraw/zinc/07/98/21/712079821.db2.gz ZBSFBBYOXUPJFV-PBHICJAKSA-N 2 1 334.464 1.275 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)OC)C[C@H]2CC1)[NH+](C)C ZINC000946642396 712126811 /nfs/dbraw/zinc/12/68/11/712126811.db2.gz HXUIBGVTVTUGOF-MWDXBVQZSA-N 2 1 325.497 1.532 20 0 EDADMP CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@@H]2C1 ZINC000946681645 712376880 /nfs/dbraw/zinc/37/68/80/712376880.db2.gz PKVIRWJRYLZURB-IYBDPMFKSA-N 2 1 330.476 1.952 20 0 EDADMP CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@@H]2C1 ZINC000946681645 712376883 /nfs/dbraw/zinc/37/68/83/712376883.db2.gz PKVIRWJRYLZURB-IYBDPMFKSA-N 2 1 330.476 1.952 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000557670268 306232909 /nfs/dbraw/zinc/23/29/09/306232909.db2.gz USNUMOVLGVCTNR-HKUYNNGSSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000557670268 306232910 /nfs/dbraw/zinc/23/29/10/306232910.db2.gz USNUMOVLGVCTNR-HKUYNNGSSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000557670268 306232911 /nfs/dbraw/zinc/23/29/11/306232911.db2.gz USNUMOVLGVCTNR-HKUYNNGSSA-N 2 1 345.487 1.736 20 0 EDADMP CCNc1nc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000557736316 306233710 /nfs/dbraw/zinc/23/37/10/306233710.db2.gz BIERCQVJNMCTJA-KGLIPLIRSA-N 2 1 347.511 1.999 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000174964300 231355612 /nfs/dbraw/zinc/35/56/12/231355612.db2.gz ZBMFABKYOLKUIX-GOSISDBHSA-N 2 1 347.503 1.982 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000174964300 231355615 /nfs/dbraw/zinc/35/56/15/231355615.db2.gz ZBMFABKYOLKUIX-GOSISDBHSA-N 2 1 347.503 1.982 20 0 EDADMP CN1CC[NH+](C2(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)CCCC2)CC1 ZINC000363137396 282191054 /nfs/dbraw/zinc/19/10/54/282191054.db2.gz YLPUKKCQSVBJLL-DLBZAZTESA-N 2 1 336.524 1.536 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000433327858 305105883 /nfs/dbraw/zinc/10/58/83/305105883.db2.gz BFEDYXRYPKOIES-CABCVRRESA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](CNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000433327858 305105884 /nfs/dbraw/zinc/10/58/84/305105884.db2.gz BFEDYXRYPKOIES-CABCVRRESA-N 2 1 326.485 1.269 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000435622579 539567200 /nfs/dbraw/zinc/56/72/00/539567200.db2.gz SDAFZWVPGDQOJC-OWCLPIDISA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H](NC(=O)NCCNc1cc[nH+]cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358111336 299155406 /nfs/dbraw/zinc/15/54/06/299155406.db2.gz LPDUAXKZZKKSQR-HOTGVXAUSA-N 2 1 345.491 1.868 20 0 EDADMP C[C@H](NC(=O)NCCOCC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000471646231 299156343 /nfs/dbraw/zinc/15/63/43/299156343.db2.gz KTMKCGTVUNAKNT-HOTGVXAUSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000562805670 306309553 /nfs/dbraw/zinc/30/95/53/306309553.db2.gz KQXLBTULIKOQGY-KBAYOESNSA-N 2 1 330.476 1.948 20 0 EDADMP CN(C(=O)c1ccnc(OCC[NH+](C)C)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000358587424 539984939 /nfs/dbraw/zinc/98/49/39/539984939.db2.gz KAPVGAKLEJKSNC-INIZCTEOSA-N 2 1 332.448 1.331 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000104879954 219430731 /nfs/dbraw/zinc/43/07/31/219430731.db2.gz UIDKLTGQSJABKC-IBGZPJMESA-N 2 1 344.503 1.433 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)[C@H]2C1 ZINC000563390156 306331526 /nfs/dbraw/zinc/33/15/26/306331526.db2.gz OKUVJPUWFHNOGO-PVAVHDDUSA-N 2 1 337.533 1.757 20 0 EDADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958040 138136834 /nfs/dbraw/zinc/13/68/34/138136834.db2.gz LCJJZBXDENIQSM-AEFFLSMTSA-N 2 1 337.508 1.726 20 0 EDADMP C[NH+]1CCC(CCNC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)CC1 ZINC000090559996 138279672 /nfs/dbraw/zinc/27/96/72/138279672.db2.gz CDGNWDJOAKKWDD-IAGOWNOFSA-N 2 1 338.496 1.271 20 0 EDADMP C[NH+]1CCC(CCNC(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)CC1 ZINC000090559996 138279673 /nfs/dbraw/zinc/27/96/73/138279673.db2.gz CDGNWDJOAKKWDD-IAGOWNOFSA-N 2 1 338.496 1.271 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC(C)(CO)CO)CC1 ZINC000093502812 138293419 /nfs/dbraw/zinc/29/34/19/138293419.db2.gz BWXGUJVXYMXFEH-UHFFFAOYSA-N 2 1 335.492 1.251 20 0 EDADMP CC(=O)[C@H](NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)C(C)C ZINC000123514310 138318976 /nfs/dbraw/zinc/31/89/76/138318976.db2.gz QRSUSYGMVOMFKL-GOSISDBHSA-N 2 1 325.497 1.770 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000131380668 138358609 /nfs/dbraw/zinc/35/86/09/138358609.db2.gz HKWNQKHELDSQQC-QGZVFWFLSA-N 2 1 333.480 1.386 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000187009459 236094330 /nfs/dbraw/zinc/09/43/30/236094330.db2.gz VLZQXAQAABXZEC-GOSISDBHSA-N 2 1 345.487 1.830 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000187009459 236094332 /nfs/dbraw/zinc/09/43/32/236094332.db2.gz VLZQXAQAABXZEC-GOSISDBHSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CS1 ZINC000413735180 304075266 /nfs/dbraw/zinc/07/52/66/304075266.db2.gz XJNZUPKMJZAIRU-UONOGXRCSA-N 2 1 328.526 1.548 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CS1 ZINC000413735180 304075268 /nfs/dbraw/zinc/07/52/68/304075268.db2.gz XJNZUPKMJZAIRU-UONOGXRCSA-N 2 1 328.526 1.548 20 0 EDADMP C[C@@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)c1c[nH+]ccc1N ZINC000564793578 306365058 /nfs/dbraw/zinc/36/50/58/306365058.db2.gz YUKABINMRGLQJL-CQSZACIVSA-N 2 1 331.464 1.089 20 0 EDADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000449331741 305311744 /nfs/dbraw/zinc/31/17/44/305311744.db2.gz APDIZSBIOJUWRZ-MRXNPFEDSA-N 2 1 326.529 1.400 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000565354562 306382099 /nfs/dbraw/zinc/38/20/99/306382099.db2.gz OIAIOAGQRKBOHP-HOJAQTOUSA-N 2 1 347.503 1.956 20 0 EDADMP CCCN1CCC([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000414201649 304105901 /nfs/dbraw/zinc/10/59/01/304105901.db2.gz SUEQYGOBHIVWGA-UHFFFAOYSA-N 2 1 338.540 1.247 20 0 EDADMP C[C@H]1CN(Cc2ccccc2)CC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694248 304128430 /nfs/dbraw/zinc/12/84/30/304128430.db2.gz MZNDCUUVORBDIL-HKUYNNGSSA-N 2 1 344.503 1.390 20 0 EDADMP CCCN(C(=O)NCCCC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645165736 452189523 /nfs/dbraw/zinc/18/95/23/452189523.db2.gz PTYGPDYTASORRO-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000414740193 304135146 /nfs/dbraw/zinc/13/51/46/304135146.db2.gz JOCXUBHCPXUYIV-LSDHHAIUSA-N 2 1 346.475 1.581 20 0 EDADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1-n1cncn1 ZINC000414782808 304139946 /nfs/dbraw/zinc/13/99/46/304139946.db2.gz OWOYBTZUCBMDCX-QGZVFWFLSA-N 2 1 341.459 1.763 20 0 EDADMP COCCN(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414781534 304139994 /nfs/dbraw/zinc/13/99/94/304139994.db2.gz NEGUYPHVLPYJDD-ROUUACIJSA-N 2 1 332.492 1.986 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000414834509 304146189 /nfs/dbraw/zinc/14/61/89/304146189.db2.gz SJZWPKSZZKKNCH-BBRMVZONSA-N 2 1 344.459 1.778 20 0 EDADMP C[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)C[C@H](O)C[NH3+] ZINC000415063765 304155838 /nfs/dbraw/zinc/15/58/38/304155838.db2.gz AVMVMUZSFVVRKE-SECBINFHSA-N 2 1 339.180 1.802 20 0 EDADMP C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)C[C@H](O)C[NH3+] ZINC000415063765 304155841 /nfs/dbraw/zinc/15/58/41/304155841.db2.gz AVMVMUZSFVVRKE-SECBINFHSA-N 2 1 339.180 1.802 20 0 EDADMP COc1cc(C[N@H+](C)C[C@H](O)C[NH3+])ccc1OCc1ccncc1 ZINC000415069602 304157023 /nfs/dbraw/zinc/15/70/23/304157023.db2.gz PEUGDVPDYAOMCO-MRXNPFEDSA-N 2 1 331.416 1.421 20 0 EDADMP COc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])ccc1OCc1ccncc1 ZINC000415069602 304157028 /nfs/dbraw/zinc/15/70/28/304157028.db2.gz PEUGDVPDYAOMCO-MRXNPFEDSA-N 2 1 331.416 1.421 20 0 EDADMP C[C@@]1(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000415090482 304158679 /nfs/dbraw/zinc/15/86/79/304158679.db2.gz OZJQCJLSIFGZFU-AZUAARDMSA-N 3 1 344.503 1.473 20 0 EDADMP C[C@@]1(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000415090482 304158682 /nfs/dbraw/zinc/15/86/82/304158682.db2.gz OZJQCJLSIFGZFU-AZUAARDMSA-N 2 1 344.503 1.473 20 0 EDADMP C[C@@]1(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000415090482 304158684 /nfs/dbraw/zinc/15/86/84/304158684.db2.gz OZJQCJLSIFGZFU-AZUAARDMSA-N 2 1 344.503 1.473 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CC3CC[NH2+]CC3)c2)C1 ZINC000415094459 304159109 /nfs/dbraw/zinc/15/91/09/304159109.db2.gz XNUAYMMIYZGCBM-IBGZPJMESA-N 3 1 344.503 1.473 20 0 EDADMP CN(C)Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)ccc1F ZINC000415108819 304160895 /nfs/dbraw/zinc/16/08/95/304160895.db2.gz PEDHZPLNEWULBT-HNNXBMFYSA-N 2 1 336.455 1.174 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NCC2CC[NH2+]CC2)C1 ZINC000415124135 304162066 /nfs/dbraw/zinc/16/20/66/304162066.db2.gz QKSJMGUTXHWAIV-QGZVFWFLSA-N 2 1 330.476 1.795 20 0 EDADMP Cc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415140009 304163566 /nfs/dbraw/zinc/16/35/66/304163566.db2.gz MOAWIMNXBFHCQX-QZTJIDSGSA-N 2 1 328.460 1.715 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000415143307 304163842 /nfs/dbraw/zinc/16/38/42/304163842.db2.gz BTGMHQWKIOZASN-KGLIPLIRSA-N 2 1 344.459 1.212 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000415154988 304166754 /nfs/dbraw/zinc/16/67/54/304166754.db2.gz DZTUWTIYFPIXBV-UHFFFAOYSA-N 2 1 332.448 1.287 20 0 EDADMP CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000236763387 139030732 /nfs/dbraw/zinc/03/07/32/139030732.db2.gz CADRVPHHJVNVIP-FUHWJXTLSA-N 2 1 332.492 1.831 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000236911435 139035067 /nfs/dbraw/zinc/03/50/67/139035067.db2.gz ASPIYKFXWRLTFI-UXLLHSPISA-N 2 1 333.480 1.082 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000415179503 304171579 /nfs/dbraw/zinc/17/15/79/304171579.db2.gz JYPCJNGTUVIQQA-KGLIPLIRSA-N 2 1 332.448 1.286 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000415179503 304171580 /nfs/dbraw/zinc/17/15/80/304171580.db2.gz JYPCJNGTUVIQQA-KGLIPLIRSA-N 2 1 332.448 1.286 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000497030848 284349884 /nfs/dbraw/zinc/34/98/84/284349884.db2.gz BSBVJNJTUIKIRI-QKPAOTATSA-N 2 1 343.512 1.923 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000081020860 217352551 /nfs/dbraw/zinc/35/25/51/217352551.db2.gz LEXRBBFCHIFOAZ-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000081020860 217352555 /nfs/dbraw/zinc/35/25/55/217352555.db2.gz LEXRBBFCHIFOAZ-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000081020860 217352558 /nfs/dbraw/zinc/35/25/58/217352558.db2.gz LEXRBBFCHIFOAZ-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000081020860 217352562 /nfs/dbraw/zinc/35/25/62/217352562.db2.gz LEXRBBFCHIFOAZ-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000237931567 139064183 /nfs/dbraw/zinc/06/41/83/139064183.db2.gz PADCBKPCGICDQW-QZTJIDSGSA-N 2 1 331.460 1.536 20 0 EDADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000245569235 139079954 /nfs/dbraw/zinc/07/99/54/139079954.db2.gz VZRPGLAMLURBCP-HOTGVXAUSA-N 2 1 348.491 1.170 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000245569235 139079955 /nfs/dbraw/zinc/07/99/55/139079955.db2.gz VZRPGLAMLURBCP-HOTGVXAUSA-N 2 1 348.491 1.170 20 0 EDADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000245569235 139079956 /nfs/dbraw/zinc/07/99/56/139079956.db2.gz VZRPGLAMLURBCP-HOTGVXAUSA-N 2 1 348.491 1.170 20 0 EDADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000245569235 139079957 /nfs/dbraw/zinc/07/99/57/139079957.db2.gz VZRPGLAMLURBCP-HOTGVXAUSA-N 2 1 348.491 1.170 20 0 EDADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000245582662 139080059 /nfs/dbraw/zinc/08/00/59/139080059.db2.gz DBSBDAZRQITIJY-MSOLQXFVSA-N 2 1 336.524 1.347 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000245582662 139080060 /nfs/dbraw/zinc/08/00/60/139080060.db2.gz DBSBDAZRQITIJY-MSOLQXFVSA-N 2 1 336.524 1.347 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000245933439 139090356 /nfs/dbraw/zinc/09/03/56/139090356.db2.gz VEGFOKQOJDSCJQ-KZNAEPCWSA-N 2 1 325.497 1.017 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246279130 139102138 /nfs/dbraw/zinc/10/21/38/139102138.db2.gz MKLZCEPKOVPOAL-OTWHNJEPSA-N 2 1 345.487 1.911 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246279130 139102139 /nfs/dbraw/zinc/10/21/39/139102139.db2.gz MKLZCEPKOVPOAL-OTWHNJEPSA-N 2 1 345.487 1.911 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000246628053 139115656 /nfs/dbraw/zinc/11/56/56/139115656.db2.gz HRFFLKBQLXCQLQ-BPQIPLTHSA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000246628053 139115657 /nfs/dbraw/zinc/11/56/57/139115657.db2.gz HRFFLKBQLXCQLQ-BPQIPLTHSA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000246628053 139115658 /nfs/dbraw/zinc/11/56/58/139115658.db2.gz HRFFLKBQLXCQLQ-BPQIPLTHSA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000246628053 139115659 /nfs/dbraw/zinc/11/56/59/139115659.db2.gz HRFFLKBQLXCQLQ-BPQIPLTHSA-N 2 1 336.476 1.987 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000246640971 139116065 /nfs/dbraw/zinc/11/60/65/139116065.db2.gz BKLSLNVGXDATFY-RDJZCZTQSA-N 2 1 325.497 1.580 20 0 EDADMP Cc1cc(CN2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)no1 ZINC000568522370 306483679 /nfs/dbraw/zinc/48/36/79/306483679.db2.gz WFGCLQYRULEUSM-UHFFFAOYSA-N 2 1 326.444 1.947 20 0 EDADMP [NH3+]Cc1ccc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000568728959 306487494 /nfs/dbraw/zinc/48/74/94/306487494.db2.gz NDWUIVBMQIEOOP-DLBZAZTESA-N 2 1 332.448 1.910 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000093132910 218196478 /nfs/dbraw/zinc/19/64/78/218196478.db2.gz MNLPEZNZFRNCTH-LJQANCHMSA-N 2 1 343.519 1.894 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCCOCC2)[C@H]1c1ccccc1 ZINC000249192039 139188937 /nfs/dbraw/zinc/18/89/37/139188937.db2.gz OLFSPTPKFSNWLA-ZWKOTPCHSA-N 2 1 346.475 1.453 20 0 EDADMP C[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CCCOCC2)[C@H]1c1ccccc1 ZINC000249192039 139188938 /nfs/dbraw/zinc/18/89/38/139188938.db2.gz OLFSPTPKFSNWLA-ZWKOTPCHSA-N 2 1 346.475 1.453 20 0 EDADMP C[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CCCOCC2)[C@H]1c1ccccc1 ZINC000249192039 139188939 /nfs/dbraw/zinc/18/89/39/139188939.db2.gz OLFSPTPKFSNWLA-ZWKOTPCHSA-N 2 1 346.475 1.453 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249297725 139190779 /nfs/dbraw/zinc/19/07/79/139190779.db2.gz NAZUJBDRVRKKKA-IEBWSBKVSA-N 2 1 346.519 1.679 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261628575 139212550 /nfs/dbraw/zinc/21/25/50/139212550.db2.gz CRPXBMYTWHIZCB-IFXJQAMLSA-N 2 1 349.475 1.721 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261628575 139212551 /nfs/dbraw/zinc/21/25/51/139212551.db2.gz CRPXBMYTWHIZCB-IFXJQAMLSA-N 2 1 349.475 1.721 20 0 EDADMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000261609607 139210532 /nfs/dbraw/zinc/21/05/32/139210532.db2.gz AVUDNHFCTKJBLH-RDJZCZTQSA-N 2 1 326.444 1.734 20 0 EDADMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000261609607 139210533 /nfs/dbraw/zinc/21/05/33/139210533.db2.gz AVUDNHFCTKJBLH-RDJZCZTQSA-N 2 1 326.444 1.734 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261729181 139221169 /nfs/dbraw/zinc/22/11/69/139221169.db2.gz KTWZECALIRGLQI-ZFWWWQNUSA-N 2 1 340.265 1.833 20 0 EDADMP C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000261783071 139225726 /nfs/dbraw/zinc/22/57/26/139225726.db2.gz XZQHBGAKODKREO-MAUKXSAKSA-N 2 1 331.460 1.523 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000261906482 139235649 /nfs/dbraw/zinc/23/56/49/139235649.db2.gz VUZXJXQOLGEQKA-RHSMWYFYSA-N 2 1 344.459 1.465 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000261906482 139235650 /nfs/dbraw/zinc/23/56/50/139235650.db2.gz VUZXJXQOLGEQKA-RHSMWYFYSA-N 2 1 344.459 1.465 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCOCC2)[C@H]1c1cccs1 ZINC000261909285 139236064 /nfs/dbraw/zinc/23/60/64/139236064.db2.gz STHKJLLSDQEJHV-ZFWWWQNUSA-N 2 1 337.489 1.755 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000261979767 139241485 /nfs/dbraw/zinc/24/14/85/139241485.db2.gz RFWFAUKVVODFPI-BHYGNILZSA-N 2 1 334.464 1.622 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000261987880 139242126 /nfs/dbraw/zinc/24/21/26/139242126.db2.gz KRYXKKSHEZPWPU-SFHVURJKSA-N 2 1 331.460 1.408 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000261999480 139242900 /nfs/dbraw/zinc/24/29/00/139242900.db2.gz UXTCZFFUSWUGAP-ZDUSSCGKSA-N 2 1 325.840 1.506 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262111634 139251817 /nfs/dbraw/zinc/25/18/17/139251817.db2.gz URNCTGHXYAANRF-MOPGFXCFSA-N 2 1 342.487 1.157 20 0 EDADMP c1cc(OC[C@H]2CCCO2)ccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262110077 139251680 /nfs/dbraw/zinc/25/16/80/139251680.db2.gz KEKLWSWIMGTDBV-AZUAARDMSA-N 2 1 345.487 1.724 20 0 EDADMP CC[C@H]1CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC[N@H+]1CCOC ZINC000415992176 251044284 /nfs/dbraw/zinc/04/42/84/251044284.db2.gz AVHUEKSSIXKFIZ-RYUDHWBXSA-N 2 1 340.390 1.018 20 0 EDADMP CC[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000262302633 139268079 /nfs/dbraw/zinc/26/80/79/139268079.db2.gz BRKCRYOATVRYSN-IUTNDFCKSA-N 2 1 337.508 1.444 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCNCC1(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000417023741 251137081 /nfs/dbraw/zinc/13/70/81/251137081.db2.gz WJGGWQIJLMQKMS-RDBSUJKOSA-N 2 1 332.439 1.651 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000417579524 251196859 /nfs/dbraw/zinc/19/68/59/251196859.db2.gz AUYLZPCCMCHSTI-CABCVRRESA-N 2 1 326.485 1.256 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2)[nH+]c1 ZINC000417739147 251249928 /nfs/dbraw/zinc/24/99/28/251249928.db2.gz XZXPAWFAHPOAPC-ZBFHGGJFSA-N 2 1 331.464 1.656 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)Cc1ccc(F)cc1 ZINC000417833709 251289733 /nfs/dbraw/zinc/28/97/33/251289733.db2.gz UMOQJMHGRSOVTG-CVEARBPZSA-N 2 1 334.439 1.508 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417792425 251273623 /nfs/dbraw/zinc/27/36/23/251273623.db2.gz KCLBLICHIJRQJR-ZIAGYGMSSA-N 2 1 330.423 1.547 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000418104686 251322810 /nfs/dbraw/zinc/32/28/10/251322810.db2.gz KJZWYYUWMPMTFW-JFIYKMOQSA-N 2 1 330.476 1.900 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418108804 251324854 /nfs/dbraw/zinc/32/48/54/251324854.db2.gz SDWSEUOWZAPNJJ-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000418113859 251329512 /nfs/dbraw/zinc/32/95/12/251329512.db2.gz KFMXLSRGPRNCRW-JKSUJKDBSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418121352 251332666 /nfs/dbraw/zinc/33/26/66/251332666.db2.gz WQNZPSMCYRZNBZ-OAGGEKHMSA-N 2 1 326.485 1.399 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000418434588 251370849 /nfs/dbraw/zinc/37/08/49/251370849.db2.gz FHELPYMGGDNELY-IAGOWNOFSA-N 2 1 339.528 1.171 20 0 EDADMP O=C(NC[C@@H]1CCC[NH2+]C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418318153 251359634 /nfs/dbraw/zinc/35/96/34/251359634.db2.gz NNDVUJLARAOETR-QRVBRYPASA-N 2 1 342.487 1.759 20 0 EDADMP C[NH2+]CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418321865 251360399 /nfs/dbraw/zinc/36/03/99/251360399.db2.gz CUPBZUANMUBPRM-ZWKOTPCHSA-N 2 1 330.476 1.902 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@H+]1CCOC ZINC000418384417 251363768 /nfs/dbraw/zinc/36/37/68/251363768.db2.gz OHIWQNJTLJWUAG-SJORKVTESA-N 2 1 340.512 1.646 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000262638356 139292150 /nfs/dbraw/zinc/29/21/50/139292150.db2.gz IJZNITOUZTZTKV-GOEBONIOSA-N 2 1 330.432 1.074 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000262638356 139292151 /nfs/dbraw/zinc/29/21/51/139292151.db2.gz IJZNITOUZTZTKV-GOEBONIOSA-N 2 1 330.432 1.074 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000262712827 139298295 /nfs/dbraw/zinc/29/82/95/139298295.db2.gz SDJADTANPALTIW-IBGZPJMESA-N 2 1 332.492 1.568 20 0 EDADMP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C[C@@H](C[NH3+])OC)CC2)c1 ZINC000262869996 139309429 /nfs/dbraw/zinc/30/94/29/139309429.db2.gz MFQMLHCVGRHIRO-YOEHRIQHSA-N 2 1 335.448 1.264 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262883851 139310371 /nfs/dbraw/zinc/31/03/71/139310371.db2.gz NSVRJBWYOIHXHC-HNNXBMFYSA-N 2 1 341.496 1.280 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262886859 139310460 /nfs/dbraw/zinc/31/04/60/139310460.db2.gz WMEFETKISPZUEQ-NJAFHUGGSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262886859 139310461 /nfs/dbraw/zinc/31/04/61/139310461.db2.gz WMEFETKISPZUEQ-NJAFHUGGSA-N 2 1 331.460 1.392 20 0 EDADMP CC[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCC[NH2+]1 ZINC000422898209 252015321 /nfs/dbraw/zinc/01/53/21/252015321.db2.gz DQIHFFXTBUFHTA-HFTRVMKXSA-N 2 1 347.459 1.431 20 0 EDADMP C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1c[nH+]ccc1N ZINC000422860421 252003652 /nfs/dbraw/zinc/00/36/52/252003652.db2.gz MBRHEWMQHDKMKO-LBPRGKRZSA-N 2 1 335.429 1.627 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000423322205 252046553 /nfs/dbraw/zinc/04/65/53/252046553.db2.gz NVPIVBLELDQFQE-XIRDDKMYSA-N 2 1 327.513 1.859 20 0 EDADMP CC[C@@H]1CN(C(=O)c2ccccc2CC[NH2+]C)C[C@@H]1[NH+]1CCOCC1 ZINC000423865828 252097804 /nfs/dbraw/zinc/09/78/04/252097804.db2.gz DRWOICGLKYRWPW-APWZRJJASA-N 2 1 345.487 1.631 20 0 EDADMP C[N@H+](CC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)Cc1ccccc1 ZINC000424004571 252112070 /nfs/dbraw/zinc/11/20/70/252112070.db2.gz BLYKSWRJOSFBKM-RTBURBONSA-N 2 1 345.487 1.863 20 0 EDADMP C[N@@H+](CC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)Cc1ccccc1 ZINC000424004571 252112073 /nfs/dbraw/zinc/11/20/73/252112073.db2.gz BLYKSWRJOSFBKM-RTBURBONSA-N 2 1 345.487 1.863 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000423792282 252077049 /nfs/dbraw/zinc/07/70/49/252077049.db2.gz VZXHJUDYNFJKPE-HRCADAONSA-N 2 1 339.480 1.108 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424139994 252140635 /nfs/dbraw/zinc/14/06/35/252140635.db2.gz VXTOTNDTCXMLNJ-JSGCOSHPSA-N 2 1 330.436 1.448 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424303687 252194597 /nfs/dbraw/zinc/19/45/97/252194597.db2.gz OQDWMJMBEIDZSO-MAUKXSAKSA-N 3 1 337.483 1.893 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000424303687 252194598 /nfs/dbraw/zinc/19/45/98/252194598.db2.gz OQDWMJMBEIDZSO-MAUKXSAKSA-N 2 1 337.483 1.893 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000424303687 252194600 /nfs/dbraw/zinc/19/46/00/252194600.db2.gz OQDWMJMBEIDZSO-MAUKXSAKSA-N 2 1 337.483 1.893 20 0 EDADMP COCC[NH+]1CCC([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358046396 285012112 /nfs/dbraw/zinc/01/21/12/285012112.db2.gz ZFSWRQIXROYBOM-IAGOWNOFSA-N 3 1 327.513 1.576 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000349904117 285022108 /nfs/dbraw/zinc/02/21/08/285022108.db2.gz PDWDLNLSOXEGHG-IAGOWNOFSA-N 2 1 338.496 1.367 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)ccn2)CC1 ZINC000112276680 220281611 /nfs/dbraw/zinc/28/16/11/220281611.db2.gz WGLCLFYIAXHJEG-OAHLLOKOSA-N 2 1 343.475 1.048 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000153756860 224153269 /nfs/dbraw/zinc/15/32/69/224153269.db2.gz HNGUCFCQNQJQPO-AWEZNQCLSA-N 2 1 343.493 1.677 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000153756973 224153626 /nfs/dbraw/zinc/15/36/26/224153626.db2.gz HNGUCFCQNQJQPO-CQSZACIVSA-N 2 1 343.493 1.677 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCOC(C)C ZINC000352227217 285244371 /nfs/dbraw/zinc/24/43/71/285244371.db2.gz LYBIKFCLGUYPTR-MRXNPFEDSA-N 2 1 328.501 1.469 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@H+](C2CCC2)C1 ZINC000487820755 255036495 /nfs/dbraw/zinc/03/64/95/255036495.db2.gz MPRJDUQPCQQIRS-JKSUJKDBSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+](C2CCC2)C1 ZINC000487820755 255036497 /nfs/dbraw/zinc/03/64/97/255036497.db2.gz MPRJDUQPCQQIRS-JKSUJKDBSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC[NH+](C2CCC2)C1 ZINC000487820755 255036499 /nfs/dbraw/zinc/03/64/99/255036499.db2.gz MPRJDUQPCQQIRS-JKSUJKDBSA-N 2 1 334.508 1.987 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 ZINC000363195945 285246671 /nfs/dbraw/zinc/24/66/71/285246671.db2.gz JZPMBIDNCRPXQW-KZNAEPCWSA-N 2 1 347.507 1.398 20 0 EDADMP CC[NH2+]CCCNC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000570395895 306540482 /nfs/dbraw/zinc/54/04/82/306540482.db2.gz AZQTZDAWHLMHEC-UHFFFAOYSA-N 2 1 336.455 1.697 20 0 EDADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000493979450 255229486 /nfs/dbraw/zinc/22/94/86/255229486.db2.gz ZXGBOOPBCFLHJB-NJAFHUGGSA-N 2 1 333.476 1.940 20 0 EDADMP COC[C@@H](C)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000494566758 255254076 /nfs/dbraw/zinc/25/40/76/255254076.db2.gz WWJIYGXNBSAOOY-QGZVFWFLSA-N 2 1 347.503 1.982 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(C(=O)OC)CC1 ZINC000496305733 255378348 /nfs/dbraw/zinc/37/83/48/255378348.db2.gz ITYCOSMLPJPJRP-CQSZACIVSA-N 2 1 325.457 1.063 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)CNC(=O)OC(C)(C)C ZINC000496444152 255392708 /nfs/dbraw/zinc/39/27/08/255392708.db2.gz PGHNYYLFWZBCRV-CHWSQXEVSA-N 2 1 327.473 1.498 20 0 EDADMP CN(C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)OC(C)(C)C ZINC000496254720 255370983 /nfs/dbraw/zinc/37/09/83/255370983.db2.gz LIFAKLDEEPMZKQ-KFWWJZLASA-N 2 1 327.469 1.431 20 0 EDADMP CN(C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)OC(C)(C)C ZINC000496254720 255370984 /nfs/dbraw/zinc/37/09/84/255370984.db2.gz LIFAKLDEEPMZKQ-KFWWJZLASA-N 2 1 327.469 1.431 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000119629549 221364224 /nfs/dbraw/zinc/36/42/24/221364224.db2.gz XYFHDODIZJYFTN-DLBZAZTESA-N 2 1 346.475 1.135 20 0 EDADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119727362 221386783 /nfs/dbraw/zinc/38/67/83/221386783.db2.gz HMLYRPMBMRWJON-CYBMUJFWSA-N 2 1 337.489 1.872 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000155204260 224376707 /nfs/dbraw/zinc/37/67/07/224376707.db2.gz QBEZSXXRKPRSON-UHFFFAOYSA-N 2 1 345.447 1.737 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000264272609 139392169 /nfs/dbraw/zinc/39/21/69/139392169.db2.gz WWSKVTHPNXSHDT-WBVHZDCISA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000264272609 139392170 /nfs/dbraw/zinc/39/21/70/139392170.db2.gz WWSKVTHPNXSHDT-WBVHZDCISA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000264272609 139392171 /nfs/dbraw/zinc/39/21/71/139392171.db2.gz WWSKVTHPNXSHDT-WBVHZDCISA-N 2 1 344.459 1.417 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000264273312 139392241 /nfs/dbraw/zinc/39/22/41/139392241.db2.gz HXFDTAVLCLYLMQ-MRXNPFEDSA-N 2 1 342.447 1.811 20 0 EDADMP CC[N@@H+]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000264286056 139393592 /nfs/dbraw/zinc/39/35/92/139393592.db2.gz QCFVZMOTWQVWKA-UHFFFAOYSA-N 2 1 344.503 1.358 20 0 EDADMP CC[N@H+]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000264286056 139393593 /nfs/dbraw/zinc/39/35/93/139393593.db2.gz QCFVZMOTWQVWKA-UHFFFAOYSA-N 2 1 344.503 1.358 20 0 EDADMP CC[C@@H]1CN(C(=O)Nc2ccccc2C[NH2+]C)C[C@@H]1[NH+]1CCOCC1 ZINC000415913059 304285239 /nfs/dbraw/zinc/28/52/39/304285239.db2.gz OOAWNCSGOCRLJK-QAPCUYQASA-N 2 1 346.475 1.981 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000270231144 140064085 /nfs/dbraw/zinc/06/40/85/140064085.db2.gz ANJQPESELHIIQF-BZSNNMDCSA-N 2 1 346.475 1.452 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000270231144 140064087 /nfs/dbraw/zinc/06/40/87/140064087.db2.gz ANJQPESELHIIQF-BZSNNMDCSA-N 2 1 346.475 1.452 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000270231144 140064089 /nfs/dbraw/zinc/06/40/89/140064089.db2.gz ANJQPESELHIIQF-BZSNNMDCSA-N 2 1 346.475 1.452 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@H](C)O1 ZINC000331450857 141031623 /nfs/dbraw/zinc/03/16/23/141031623.db2.gz SUJVHFNXFQHJIU-NNXHMXCWSA-N 2 1 338.496 1.255 20 0 EDADMP CC(=O)Nc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000333202405 141280708 /nfs/dbraw/zinc/28/07/08/141280708.db2.gz YFAMLWLYMMYDNO-MSOLQXFVSA-N 2 1 329.444 1.845 20 0 EDADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000333280694 141292198 /nfs/dbraw/zinc/29/21/98/141292198.db2.gz PHGFXRRBGBDOAB-ZIAGYGMSSA-N 2 1 334.468 1.254 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000333280694 141292199 /nfs/dbraw/zinc/29/21/99/141292199.db2.gz PHGFXRRBGBDOAB-ZIAGYGMSSA-N 2 1 334.468 1.254 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000333344699 141302861 /nfs/dbraw/zinc/30/28/61/141302861.db2.gz QIGFRKMHJCGWSN-CZUORRHYSA-N 2 1 330.432 1.869 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000333466039 141321658 /nfs/dbraw/zinc/32/16/58/141321658.db2.gz ZYBYKALJMJYYSP-QXSJWSMHSA-N 2 1 340.512 1.562 20 0 EDADMP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000333466039 141321659 /nfs/dbraw/zinc/32/16/59/141321659.db2.gz ZYBYKALJMJYYSP-QXSJWSMHSA-N 2 1 340.512 1.562 20 0 EDADMP Cn1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333653101 141350895 /nfs/dbraw/zinc/35/08/95/141350895.db2.gz ZIPGUIZBKAVFDJ-ZMSDIMECSA-N 2 1 345.491 1.443 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000333805450 141384702 /nfs/dbraw/zinc/38/47/02/141384702.db2.gz OSGAAGHHWFFCOT-ZWQIFLOQSA-N 2 1 342.487 1.812 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000333867765 141397904 /nfs/dbraw/zinc/39/79/04/141397904.db2.gz TZWKVVBLIYAHCN-HLLBOEOZSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000333867765 141397906 /nfs/dbraw/zinc/39/79/06/141397906.db2.gz TZWKVVBLIYAHCN-HLLBOEOZSA-N 2 1 326.485 1.127 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000339347601 142023758 /nfs/dbraw/zinc/02/37/58/142023758.db2.gz CDNPBZYISQFHEW-XJKSGUPXSA-N 2 1 339.277 1.963 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000339347601 142023760 /nfs/dbraw/zinc/02/37/60/142023760.db2.gz CDNPBZYISQFHEW-XJKSGUPXSA-N 2 1 339.277 1.963 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000339861488 142180729 /nfs/dbraw/zinc/18/07/29/142180729.db2.gz QVSYZKFQTVFCLW-GDBMZVCRSA-N 2 1 336.484 1.528 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](CC)C1 ZINC000345563488 143106236 /nfs/dbraw/zinc/10/62/36/143106236.db2.gz LWLWDROEARXYNI-HOTGVXAUSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000345563488 143106237 /nfs/dbraw/zinc/10/62/37/143106237.db2.gz LWLWDROEARXYNI-HOTGVXAUSA-N 2 1 328.501 1.205 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000345563488 143106238 /nfs/dbraw/zinc/10/62/38/143106238.db2.gz LWLWDROEARXYNI-HOTGVXAUSA-N 2 1 328.501 1.205 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]([NH3+])CC(F)F)cc1F ZINC000345705287 143123538 /nfs/dbraw/zinc/12/35/38/143123538.db2.gz FZGIYVZSRPDTEA-LBPRGKRZSA-N 2 1 326.322 1.919 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]1CCOC1 ZINC000345894844 143144281 /nfs/dbraw/zinc/14/42/81/143144281.db2.gz YMRKSCUKFASFQN-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(N4CC[NH+](C)CC4)n3)C2)C1 ZINC000346319030 143191265 /nfs/dbraw/zinc/19/12/65/143191265.db2.gz LMIAMOGZAAQFJO-IBGZPJMESA-N 2 1 343.475 1.001 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@H](C)C1 ZINC000346575919 143218190 /nfs/dbraw/zinc/21/81/90/143218190.db2.gz VKUHJCNJGHYYFW-AKHDSKFASA-N 2 1 339.524 1.576 20 0 EDADMP Cn1nccc1[C@@H]1[C@H]([NH2+]CCC[NH+]2CCCCC2)CC(=O)N1C1CC1 ZINC000346701568 143234307 /nfs/dbraw/zinc/23/43/07/143234307.db2.gz BGWFJHKJZDTBKZ-APWZRJJASA-N 2 1 345.491 1.690 20 0 EDADMP O=C(C[N@@H+]1CCC[C@H]1c1cccnc1)NC1CC[NH+](C2CC2)CC1 ZINC000347017723 143272073 /nfs/dbraw/zinc/27/20/73/143272073.db2.gz YBHFSDJTXDKXJT-SFHVURJKSA-N 2 1 328.460 1.962 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]1c1cccnc1)NC1CC[NH+](C2CC2)CC1 ZINC000347017723 143272074 /nfs/dbraw/zinc/27/20/74/143272074.db2.gz YBHFSDJTXDKXJT-SFHVURJKSA-N 2 1 328.460 1.962 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000347198751 143293873 /nfs/dbraw/zinc/29/38/73/143293873.db2.gz MUHDBQVOSJUISC-KBPBESRZSA-N 2 1 332.448 1.998 20 0 EDADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCCC[NH+]1CCOCC1 ZINC000347350526 143311776 /nfs/dbraw/zinc/31/17/76/143311776.db2.gz WQMAIQDDXQDCKE-KZNAEPCWSA-N 2 1 339.524 1.972 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347649680 143345488 /nfs/dbraw/zinc/34/54/88/143345488.db2.gz IMBTWZAHMFHZIN-UHFFFAOYSA-N 2 1 330.476 1.293 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)[C@H](C)C1 ZINC000417669689 286060595 /nfs/dbraw/zinc/06/05/95/286060595.db2.gz MSMKHTMKVIPFHF-YVSFHVDLSA-N 2 1 340.512 1.502 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)[N@H+](C)C1 ZINC000332314826 286085598 /nfs/dbraw/zinc/08/55/98/286085598.db2.gz UMBWOYBZGGMBSN-WBAXXEDZSA-N 2 1 346.475 1.442 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)[N@@H+](C)C1 ZINC000332314826 286085599 /nfs/dbraw/zinc/08/55/99/286085599.db2.gz UMBWOYBZGGMBSN-WBAXXEDZSA-N 2 1 346.475 1.442 20 0 EDADMP C[C@@H]1CCC[C@](CNC(=O)NCC[NH+]2CCSCC2)([NH+](C)C)C1 ZINC000352675650 149112833 /nfs/dbraw/zinc/11/28/33/149112833.db2.gz KTSCZKWABBDNDB-WBVHZDCISA-N 2 1 342.553 1.845 20 0 EDADMP COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352700662 149122237 /nfs/dbraw/zinc/12/22/37/149122237.db2.gz VOXCKAHNEFQKCL-DOTOQJQBSA-N 2 1 347.459 1.106 20 0 EDADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000369915592 155229877 /nfs/dbraw/zinc/22/98/77/155229877.db2.gz HHTWWFQMTIQBRS-FUHWJXTLSA-N 2 1 330.476 1.846 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000369915592 155229883 /nfs/dbraw/zinc/22/98/83/155229883.db2.gz HHTWWFQMTIQBRS-FUHWJXTLSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000369915592 155229886 /nfs/dbraw/zinc/22/98/86/155229886.db2.gz HHTWWFQMTIQBRS-FUHWJXTLSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000369915592 155229887 /nfs/dbraw/zinc/22/98/87/155229887.db2.gz HHTWWFQMTIQBRS-FUHWJXTLSA-N 2 1 330.476 1.846 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)N1CC[NH+](C)CC1 ZINC000416959977 304355148 /nfs/dbraw/zinc/35/51/48/304355148.db2.gz QIPTUZRSXUNUKO-DLBZAZTESA-N 2 1 339.528 1.075 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)[N@@H+](C)C1 ZINC000348054221 286105671 /nfs/dbraw/zinc/10/56/71/286105671.db2.gz WYOKUMJNUKLGBN-CVEARBPZSA-N 2 1 340.512 1.469 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[C@H]([NH2+]C)C1)[NH+]1CCOCC1 ZINC000416964601 304356370 /nfs/dbraw/zinc/35/63/70/304356370.db2.gz WDQCSJZHEUPBSV-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000354866706 150002687 /nfs/dbraw/zinc/00/26/87/150002687.db2.gz XCURPUGLEMGXJD-QZTJIDSGSA-N 2 1 333.476 1.642 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)Cc2cccn2C)cc[nH+]1 ZINC000354928954 150037082 /nfs/dbraw/zinc/03/70/82/150037082.db2.gz UTMNVXJCIVXDTC-ZBFHGGJFSA-N 2 1 346.454 1.930 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)Cc2cccn2C)cc[nH+]1 ZINC000354928954 150037085 /nfs/dbraw/zinc/03/70/85/150037085.db2.gz UTMNVXJCIVXDTC-ZBFHGGJFSA-N 2 1 346.454 1.930 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354931762 150039461 /nfs/dbraw/zinc/03/94/61/150039461.db2.gz RXIFIWIMDSMZDF-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000354931762 150039462 /nfs/dbraw/zinc/03/94/62/150039462.db2.gz RXIFIWIMDSMZDF-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000354931762 150039464 /nfs/dbraw/zinc/03/94/64/150039464.db2.gz RXIFIWIMDSMZDF-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000354931762 150039465 /nfs/dbraw/zinc/03/94/65/150039465.db2.gz RXIFIWIMDSMZDF-QZTJIDSGSA-N 2 1 331.460 1.440 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000417048335 304366477 /nfs/dbraw/zinc/36/64/77/304366477.db2.gz WOUAMJMMQRSECU-AEFFLSMTSA-N 2 1 347.507 1.480 20 0 EDADMP [NH3+]C[C@@H]1CCCN1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000417053943 304367182 /nfs/dbraw/zinc/36/71/82/304367182.db2.gz SVXFVZTVPOLDDQ-KRWDZBQOSA-N 2 1 349.454 1.080 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CN2CCCC2=O)[C@H](C)C1 ZINC000358014799 151235615 /nfs/dbraw/zinc/23/56/15/151235615.db2.gz DDHAIZYEYZMSIY-IKGGRYGDSA-N 2 1 325.497 1.724 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358312804 151333793 /nfs/dbraw/zinc/33/37/93/151333793.db2.gz MWQPWQJYHJLONW-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358312804 151333794 /nfs/dbraw/zinc/33/37/94/151333794.db2.gz MWQPWQJYHJLONW-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358312804 151333796 /nfs/dbraw/zinc/33/37/96/151333796.db2.gz MWQPWQJYHJLONW-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358312804 151333798 /nfs/dbraw/zinc/33/37/98/151333798.db2.gz MWQPWQJYHJLONW-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOCC)CC1 ZINC000358319719 151335437 /nfs/dbraw/zinc/33/54/37/151335437.db2.gz ZDLMNDYFIOWFLA-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOCC)CC1 ZINC000358319719 151335439 /nfs/dbraw/zinc/33/54/39/151335439.db2.gz ZDLMNDYFIOWFLA-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(F)cc3C)C2)CC1 ZINC000370056990 155307376 /nfs/dbraw/zinc/30/73/76/155307376.db2.gz UGWINODSUDXOHW-IEBWSBKVSA-N 2 1 335.467 1.879 20 0 EDADMP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000360401184 152022419 /nfs/dbraw/zinc/02/24/19/152022419.db2.gz MLLBTXDOVSJDIV-FQEVSTJZSA-N 2 1 331.504 1.958 20 0 EDADMP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000360401184 152022420 /nfs/dbraw/zinc/02/24/20/152022420.db2.gz MLLBTXDOVSJDIV-FQEVSTJZSA-N 2 1 331.504 1.958 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000360893883 152243875 /nfs/dbraw/zinc/24/38/75/152243875.db2.gz PIURCPBYQKRKKO-CVEARBPZSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000360893883 152243878 /nfs/dbraw/zinc/24/38/78/152243878.db2.gz PIURCPBYQKRKKO-CVEARBPZSA-N 2 1 342.528 1.593 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000360893883 152243881 /nfs/dbraw/zinc/24/38/81/152243881.db2.gz PIURCPBYQKRKKO-CVEARBPZSA-N 2 1 342.528 1.593 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)NCCC[NH+]3CCCC3)CC2)cn1 ZINC000360926442 152254293 /nfs/dbraw/zinc/25/42/93/152254293.db2.gz RJEJHGTTWOYVRR-UHFFFAOYSA-N 2 1 348.495 1.123 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)NCCC[NH+]3CCCC3)CC2)cn1 ZINC000360926442 152254296 /nfs/dbraw/zinc/25/42/96/152254296.db2.gz RJEJHGTTWOYVRR-UHFFFAOYSA-N 2 1 348.495 1.123 20 0 EDADMP C[C@H](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000361095877 152301492 /nfs/dbraw/zinc/30/14/92/152301492.db2.gz KGUWOHZIRASFGK-MDASCCDHSA-N 2 1 327.472 1.938 20 0 EDADMP C[C@H](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000361095877 152301495 /nfs/dbraw/zinc/30/14/95/152301495.db2.gz KGUWOHZIRASFGK-MDASCCDHSA-N 2 1 327.472 1.938 20 0 EDADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c(Cl)c1 ZINC000361219440 152338706 /nfs/dbraw/zinc/33/87/06/152338706.db2.gz DBSAEPSPGAAPKC-CHWSQXEVSA-N 2 1 327.856 1.878 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)C[C@H](C)O1 ZINC000361401016 152383445 /nfs/dbraw/zinc/38/34/45/152383445.db2.gz UPKBJYYIISVJFX-RVKKMQEKSA-N 2 1 335.492 1.571 20 0 EDADMP C[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC000363708464 153035518 /nfs/dbraw/zinc/03/55/18/153035518.db2.gz SUEYGCZZJQITGS-QKPAOTATSA-N 2 1 347.463 1.283 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000363948052 153105646 /nfs/dbraw/zinc/10/56/46/153105646.db2.gz PWCFGXAMPPCDNR-GOEBONIOSA-N 2 1 330.432 1.038 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000363948052 153105649 /nfs/dbraw/zinc/10/56/49/153105649.db2.gz PWCFGXAMPPCDNR-GOEBONIOSA-N 2 1 330.432 1.038 20 0 EDADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000417192819 304382945 /nfs/dbraw/zinc/38/29/45/304382945.db2.gz ZIFOXOONXKVGBI-MAUKXSAKSA-N 2 1 346.475 1.445 20 0 EDADMP C[C@H]1CCC[N@H+](CCNC(=O)N(C)C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000364163548 153160804 /nfs/dbraw/zinc/16/08/04/153160804.db2.gz ZTQHTEJDNAMANH-JKSUJKDBSA-N 2 1 333.480 1.819 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N(C)C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000364163548 153160805 /nfs/dbraw/zinc/16/08/05/153160805.db2.gz ZTQHTEJDNAMANH-JKSUJKDBSA-N 2 1 333.480 1.819 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364740303 153319760 /nfs/dbraw/zinc/31/97/60/153319760.db2.gz QUZHXPDFRLNXGG-HOTGVXAUSA-N 2 1 331.460 1.984 20 0 EDADMP C[N@@H+](CCNC(=O)N1CCC(OCCC[NH3+])CC1)Cc1ccccc1 ZINC000417233746 304386597 /nfs/dbraw/zinc/38/65/97/304386597.db2.gz SLEYUFWMFMPXLL-UHFFFAOYSA-N 2 1 348.491 1.658 20 0 EDADMP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367116975 154013718 /nfs/dbraw/zinc/01/37/18/154013718.db2.gz JVAZANZORVFSJR-SFHVURJKSA-N 2 1 338.540 1.594 20 0 EDADMP CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367116975 154013720 /nfs/dbraw/zinc/01/37/20/154013720.db2.gz JVAZANZORVFSJR-SFHVURJKSA-N 2 1 338.540 1.594 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000367128390 154017075 /nfs/dbraw/zinc/01/70/75/154017075.db2.gz AEMFJDUWSBRGSG-YLFCFFPRSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000367128390 154017078 /nfs/dbraw/zinc/01/70/78/154017078.db2.gz AEMFJDUWSBRGSG-YLFCFFPRSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000367128390 154017082 /nfs/dbraw/zinc/01/70/82/154017082.db2.gz AEMFJDUWSBRGSG-YLFCFFPRSA-N 2 1 336.480 1.166 20 0 EDADMP O=C(NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000367128390 154017084 /nfs/dbraw/zinc/01/70/84/154017084.db2.gz AEMFJDUWSBRGSG-YLFCFFPRSA-N 2 1 336.480 1.166 20 0 EDADMP CC(=O)NCCCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367143493 154020811 /nfs/dbraw/zinc/02/08/11/154020811.db2.gz IURQZZFEYPWAQM-FQEVSTJZSA-N 2 1 344.503 1.405 20 0 EDADMP CC(=O)NCCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367143493 154020815 /nfs/dbraw/zinc/02/08/15/154020815.db2.gz IURQZZFEYPWAQM-FQEVSTJZSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCN1CCNC1=O ZINC000367361985 154088700 /nfs/dbraw/zinc/08/87/00/154088700.db2.gz UELJDJCWMHQIMT-SJLPKXTDSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCN1CCNC1=O ZINC000367361985 154088705 /nfs/dbraw/zinc/08/87/05/154088705.db2.gz UELJDJCWMHQIMT-SJLPKXTDSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCN1CCNC1=O ZINC000367361985 154088706 /nfs/dbraw/zinc/08/87/06/154088706.db2.gz UELJDJCWMHQIMT-SJLPKXTDSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCN1CCNC1=O ZINC000367361985 154088711 /nfs/dbraw/zinc/08/87/11/154088711.db2.gz UELJDJCWMHQIMT-SJLPKXTDSA-N 2 1 330.476 1.854 20 0 EDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000367851280 154298645 /nfs/dbraw/zinc/29/86/45/154298645.db2.gz UXLLZRWJHIVQJS-GOSISDBHSA-N 2 1 330.432 1.142 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000367851280 154298651 /nfs/dbraw/zinc/29/86/51/154298651.db2.gz UXLLZRWJHIVQJS-GOSISDBHSA-N 2 1 330.432 1.142 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000367851280 154298656 /nfs/dbraw/zinc/29/86/56/154298656.db2.gz UXLLZRWJHIVQJS-GOSISDBHSA-N 2 1 330.432 1.142 20 0 EDADMP CC1(C)NC(=O)N(CCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)C1=O ZINC000369600204 155106802 /nfs/dbraw/zinc/10/68/02/155106802.db2.gz IVLQFJJCCDPSFH-QLFBSQMISA-N 2 1 334.464 1.123 20 0 EDADMP CC1(C)NC(=O)N(CCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)C1=O ZINC000369600204 155106806 /nfs/dbraw/zinc/10/68/06/155106806.db2.gz IVLQFJJCCDPSFH-QLFBSQMISA-N 2 1 334.464 1.123 20 0 EDADMP CC1(C)NC(=O)N(CCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)C1=O ZINC000369600204 155106808 /nfs/dbraw/zinc/10/68/08/155106808.db2.gz IVLQFJJCCDPSFH-QLFBSQMISA-N 2 1 334.464 1.123 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[NH+](CCCOC)CC2)C1 ZINC000369659822 155122447 /nfs/dbraw/zinc/12/24/47/155122447.db2.gz XUBFYSSBNXEWST-QGZVFWFLSA-N 2 1 340.512 1.472 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[N@H+](CCCOC)CC2)C1 ZINC000369659822 155122450 /nfs/dbraw/zinc/12/24/50/155122450.db2.gz XUBFYSSBNXEWST-QGZVFWFLSA-N 2 1 340.512 1.472 20 0 EDADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[N@@H+](CCCOC)CC2)C1 ZINC000369659822 155122452 /nfs/dbraw/zinc/12/24/52/155122452.db2.gz XUBFYSSBNXEWST-QGZVFWFLSA-N 2 1 340.512 1.472 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccn1)C1=CC[N@@H+](C)CC1 ZINC000371582381 156014943 /nfs/dbraw/zinc/01/49/43/156014943.db2.gz VAJXLJMVEWRUFB-CRAIPNDOSA-N 2 1 328.460 1.813 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C1=CC[NH+](C)CC1 ZINC000371582381 156014945 /nfs/dbraw/zinc/01/49/45/156014945.db2.gz VAJXLJMVEWRUFB-CRAIPNDOSA-N 2 1 328.460 1.813 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccn1)C1=CC[N@H+](C)CC1 ZINC000371582381 156014952 /nfs/dbraw/zinc/01/49/52/156014952.db2.gz VAJXLJMVEWRUFB-CRAIPNDOSA-N 2 1 328.460 1.813 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccn1)C1=CC[N@@H+](C)CC1 ZINC000371582381 156014955 /nfs/dbraw/zinc/01/49/55/156014955.db2.gz VAJXLJMVEWRUFB-CRAIPNDOSA-N 2 1 328.460 1.813 20 0 EDADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)C(=O)N(C)C(C)C)C2)nc(C)[nH+]1 ZINC000371827743 156127207 /nfs/dbraw/zinc/12/72/07/156127207.db2.gz ZVBXAWBOGFPCRW-ZBFHGGJFSA-N 2 1 333.480 1.907 20 0 EDADMP Cc1nccn1CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000372163695 156250806 /nfs/dbraw/zinc/25/08/06/156250806.db2.gz IBOUPTDNSKPNDD-QGZVFWFLSA-N 2 1 334.464 1.683 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000372163695 156250810 /nfs/dbraw/zinc/25/08/10/156250810.db2.gz IBOUPTDNSKPNDD-QGZVFWFLSA-N 2 1 334.464 1.683 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 ZINC000372342451 156343690 /nfs/dbraw/zinc/34/36/90/156343690.db2.gz SZALZSNBMGAUHF-SIXLDLHFSA-N 2 1 336.480 1.022 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000372342451 156343699 /nfs/dbraw/zinc/34/36/99/156343699.db2.gz SZALZSNBMGAUHF-SIXLDLHFSA-N 2 1 336.480 1.022 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000372342451 156343705 /nfs/dbraw/zinc/34/37/05/156343705.db2.gz SZALZSNBMGAUHF-SIXLDLHFSA-N 2 1 336.480 1.022 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000372342451 156343709 /nfs/dbraw/zinc/34/37/09/156343709.db2.gz SZALZSNBMGAUHF-SIXLDLHFSA-N 2 1 336.480 1.022 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NCC(C)(C)CCCO)C2)CC1 ZINC000374471933 157301948 /nfs/dbraw/zinc/30/19/48/157301948.db2.gz OCPWZELQAOZQIH-HNNXBMFYSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)OCCCC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374623346 157348802 /nfs/dbraw/zinc/34/88/02/157348802.db2.gz NLGGOSZWBDLKHX-KRWDZBQOSA-N 2 1 325.497 1.819 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000378289725 158129681 /nfs/dbraw/zinc/12/96/81/158129681.db2.gz NGENDYUPYAVTRF-INIZCTEOSA-N 2 1 332.448 1.558 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](CCC(=O)NC(N)=O)CC1 ZINC000378289725 158129683 /nfs/dbraw/zinc/12/96/83/158129683.db2.gz NGENDYUPYAVTRF-INIZCTEOSA-N 2 1 332.448 1.558 20 0 EDADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)CC1 ZINC000378289725 158129686 /nfs/dbraw/zinc/12/96/86/158129686.db2.gz NGENDYUPYAVTRF-INIZCTEOSA-N 2 1 332.448 1.558 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000352208459 162050853 /nfs/dbraw/zinc/05/08/53/162050853.db2.gz OAHIZMVNLHNISZ-MRXNPFEDSA-N 2 1 328.501 1.328 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000352212787 162053430 /nfs/dbraw/zinc/05/34/30/162053430.db2.gz BWRWNOSIENICQV-HZPDHXFCSA-N 2 1 328.501 1.326 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NCCc1c(F)cccc1F ZINC000352477776 162202723 /nfs/dbraw/zinc/20/27/23/162202723.db2.gz OUHHZIJSCKHEEE-ZDUSSCGKSA-N 2 1 325.403 1.827 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NCCc1c(F)cccc1F ZINC000352477776 162202725 /nfs/dbraw/zinc/20/27/25/162202725.db2.gz OUHHZIJSCKHEEE-ZDUSSCGKSA-N 2 1 325.403 1.827 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000365721727 162364850 /nfs/dbraw/zinc/36/48/50/162364850.db2.gz YQTOIIQULCEEJN-SFHVURJKSA-N 2 1 331.460 1.488 20 0 EDADMP COCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000365721727 162364851 /nfs/dbraw/zinc/36/48/51/162364851.db2.gz YQTOIIQULCEEJN-SFHVURJKSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+](CC)CC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000076573090 287284278 /nfs/dbraw/zinc/28/42/78/287284278.db2.gz LMNWZOISYVAJSQ-UHFFFAOYSA-N 2 1 346.519 1.652 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)C1 ZINC000118898373 287348893 /nfs/dbraw/zinc/34/88/93/287348893.db2.gz RYZICIJZTZNCMT-AWEZNQCLSA-N 2 1 341.415 1.269 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000120522963 287361892 /nfs/dbraw/zinc/36/18/92/287361892.db2.gz GGIFQIGASCPRED-OFLPRAFFSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CCCn1ccnc1C ZINC000121385268 287370852 /nfs/dbraw/zinc/37/08/52/287370852.db2.gz LBYHWEYJWZWVBE-INIZCTEOSA-N 2 1 337.468 1.334 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CCCn1cc[nH+]c1C ZINC000121385268 287370854 /nfs/dbraw/zinc/37/08/54/287370854.db2.gz LBYHWEYJWZWVBE-INIZCTEOSA-N 2 1 337.468 1.334 20 0 EDADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000128228117 287453644 /nfs/dbraw/zinc/45/36/44/287453644.db2.gz FTOBCPRYDCGNCE-QZTJIDSGSA-N 2 1 330.476 1.190 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCS[C@H](C)[C@@H]1C ZINC000665758281 452326699 /nfs/dbraw/zinc/32/66/99/452326699.db2.gz DMBKFHUAYHIHAH-SOUVJXGZSA-N 2 1 330.542 1.794 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCS[C@H](C)[C@@H]1C ZINC000665758281 452326715 /nfs/dbraw/zinc/32/67/15/452326715.db2.gz DMBKFHUAYHIHAH-SOUVJXGZSA-N 2 1 330.542 1.794 20 0 EDADMP COCC[N@@H+](C)CCCC1CC[NH+](CCN2CCCC2=O)CC1 ZINC000122172607 222029173 /nfs/dbraw/zinc/02/91/73/222029173.db2.gz VIEZFVCWOIHYKE-UHFFFAOYSA-N 2 1 325.497 1.679 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(C)nc4ccccn43)C2)CC1 ZINC000123290722 222250322 /nfs/dbraw/zinc/25/03/22/222250322.db2.gz ODTZXXRZJHWCLO-QGZVFWFLSA-N 2 1 327.476 1.855 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](CO)C1CCCC1 ZINC000665762466 452340154 /nfs/dbraw/zinc/34/01/54/452340154.db2.gz FIXDSGJPSPCQBX-HOCLYGCPSA-N 2 1 328.501 1.109 20 0 EDADMP COC[C@]1(C)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665763534 452343180 /nfs/dbraw/zinc/34/31/80/452343180.db2.gz DLDPCWRSMSOEHZ-DOTOQJQBSA-N 2 1 328.501 1.326 20 0 EDADMP COC[C@]1(C)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665763534 452343188 /nfs/dbraw/zinc/34/31/88/452343188.db2.gz DLDPCWRSMSOEHZ-DOTOQJQBSA-N 2 1 328.501 1.326 20 0 EDADMP COC(=O)CCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274792928 268208079 /nfs/dbraw/zinc/20/80/79/268208079.db2.gz CQEXVPJLJMOORG-RDJZCZTQSA-N 2 1 347.459 1.166 20 0 EDADMP COC(=O)CCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274792928 268208081 /nfs/dbraw/zinc/20/80/81/268208081.db2.gz CQEXVPJLJMOORG-RDJZCZTQSA-N 2 1 347.459 1.166 20 0 EDADMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275363331 268330292 /nfs/dbraw/zinc/33/02/92/268330292.db2.gz VZGVYMVCUIPODL-ZDUSSCGKSA-N 2 1 333.436 1.163 20 0 EDADMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275363331 268330294 /nfs/dbraw/zinc/33/02/94/268330294.db2.gz VZGVYMVCUIPODL-ZDUSSCGKSA-N 2 1 333.436 1.163 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1)c1ccccc1 ZINC000275381662 268333813 /nfs/dbraw/zinc/33/38/13/268333813.db2.gz BEVSPMRLOFRJTA-SJORKVTESA-N 2 1 333.476 1.498 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](O)C(C)(C)C1)c1ccccc1 ZINC000275381662 268333814 /nfs/dbraw/zinc/33/38/14/268333814.db2.gz BEVSPMRLOFRJTA-SJORKVTESA-N 2 1 333.476 1.498 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000655851022 452610571 /nfs/dbraw/zinc/61/05/71/452610571.db2.gz HZCXNJTWTGFTJA-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000655851022 452610597 /nfs/dbraw/zinc/61/05/97/452610597.db2.gz HZCXNJTWTGFTJA-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000655851022 452610609 /nfs/dbraw/zinc/61/06/09/452610609.db2.gz HZCXNJTWTGFTJA-JKSUJKDBSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000277284874 273187275 /nfs/dbraw/zinc/18/72/75/273187275.db2.gz IPPWAYSOROUNEI-RBUKOAKNSA-N 2 1 347.503 1.980 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ncc(F)cc1F ZINC000277466952 273201439 /nfs/dbraw/zinc/20/14/39/273201439.db2.gz IEDPZJSSCTYTNJ-AWEZNQCLSA-N 2 1 340.418 1.848 20 0 EDADMP COCCO[C@@H]1C[C@@H](CO)CN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000278364191 273261526 /nfs/dbraw/zinc/26/15/26/273261526.db2.gz RVMTVXTWDXCKNH-IAGOWNOFSA-N 2 1 346.431 1.113 20 0 EDADMP Cc1ccc(NCCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)[nH+]c1 ZINC000284927955 274390386 /nfs/dbraw/zinc/39/03/86/274390386.db2.gz VVRSWDVKQPTCFN-UHFFFAOYSA-N 2 1 342.447 1.284 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000422632995 274399168 /nfs/dbraw/zinc/39/91/68/274399168.db2.gz HQHTULHFKTXRPN-QLFBSQMISA-N 2 1 337.439 1.626 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000422632995 274399169 /nfs/dbraw/zinc/39/91/69/274399169.db2.gz HQHTULHFKTXRPN-QLFBSQMISA-N 2 1 337.439 1.626 20 0 EDADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195248120 275007954 /nfs/dbraw/zinc/00/79/54/275007954.db2.gz PMRBHRZXZSQDNC-SOLBZPMBSA-N 2 1 331.435 1.858 20 0 EDADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195248120 275007956 /nfs/dbraw/zinc/00/79/56/275007956.db2.gz PMRBHRZXZSQDNC-SOLBZPMBSA-N 2 1 331.435 1.858 20 0 EDADMP CCOC(=O)c1c[nH+]c2cc3c(cc2c1N1C[C@H](C)[C@H]([NH3+])C1)OCO3 ZINC000420285450 276302119 /nfs/dbraw/zinc/30/21/19/276302119.db2.gz VPNOAEGJIQFNFA-GXFFZTMASA-N 2 1 343.383 1.924 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000416019188 277033641 /nfs/dbraw/zinc/03/36/41/277033641.db2.gz XCNWTJHUPNCSDQ-AWEZNQCLSA-N 2 1 334.464 1.715 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000272017872 277045295 /nfs/dbraw/zinc/04/52/95/277045295.db2.gz UVULHEVYWHELEC-RLLQIKCJSA-N 2 1 329.488 1.747 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000272017872 277045296 /nfs/dbraw/zinc/04/52/96/277045296.db2.gz UVULHEVYWHELEC-RLLQIKCJSA-N 2 1 329.488 1.747 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000245910171 277384132 /nfs/dbraw/zinc/38/41/32/277384132.db2.gz VASUGZAITJYPIE-HOTGVXAUSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000362749748 277385835 /nfs/dbraw/zinc/38/58/35/277385835.db2.gz CXMAOLZKWBVWMR-GOSISDBHSA-N 2 1 337.508 1.866 20 0 EDADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000286275057 287972119 /nfs/dbraw/zinc/97/21/19/287972119.db2.gz VNHFOPVYOSNZBF-STQMWFEESA-N 2 1 325.478 1.821 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC(C)(C)O ZINC000267174549 278210439 /nfs/dbraw/zinc/21/04/39/278210439.db2.gz VXEYUQHKMJXIPV-DOTOQJQBSA-N 2 1 333.476 1.468 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)O ZINC000267174549 278210441 /nfs/dbraw/zinc/21/04/41/278210441.db2.gz VXEYUQHKMJXIPV-DOTOQJQBSA-N 2 1 333.476 1.468 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)O ZINC000267174549 278210442 /nfs/dbraw/zinc/21/04/42/278210442.db2.gz VXEYUQHKMJXIPV-DOTOQJQBSA-N 2 1 333.476 1.468 20 0 EDADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262654644 278343138 /nfs/dbraw/zinc/34/31/38/278343138.db2.gz CGLFGJWJVYHHGK-MAUKXSAKSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262654644 278343140 /nfs/dbraw/zinc/34/31/40/278343140.db2.gz CGLFGJWJVYHHGK-MAUKXSAKSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000486987331 288089722 /nfs/dbraw/zinc/08/97/22/288089722.db2.gz MNZZUZXMOXONIH-BMFZPTHFSA-N 2 1 331.464 1.358 20 0 EDADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1 ZINC000078638615 279154239 /nfs/dbraw/zinc/15/42/39/279154239.db2.gz BZMSCPIFBPKKIJ-MSOLQXFVSA-N 2 1 332.492 1.432 20 0 EDADMP CC(C)C[C@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000336871354 279159609 /nfs/dbraw/zinc/15/96/09/279159609.db2.gz FFPNJFZBBOZMTR-CVEARBPZSA-N 2 1 325.497 1.628 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000343942753 279186132 /nfs/dbraw/zinc/18/61/32/279186132.db2.gz UMOOLQCTDWCORS-ROUUACIJSA-N 2 1 327.432 1.481 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000352801541 279204912 /nfs/dbraw/zinc/20/49/12/279204912.db2.gz AWGNIHPWHJMZHG-SUMDDJOVSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21)[N@H+]1CCc2ccccc2C1 ZINC000352801541 279204913 /nfs/dbraw/zinc/20/49/13/279204913.db2.gz AWGNIHPWHJMZHG-SUMDDJOVSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)[NH+]1CCc2ccccc2C1 ZINC000352801541 279204915 /nfs/dbraw/zinc/20/49/15/279204915.db2.gz AWGNIHPWHJMZHG-SUMDDJOVSA-N 2 1 327.472 1.986 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1CCc2ccccc2C1 ZINC000352801541 279204917 /nfs/dbraw/zinc/20/49/17/279204917.db2.gz AWGNIHPWHJMZHG-SUMDDJOVSA-N 2 1 327.472 1.986 20 0 EDADMP Cc1nnc(N2C[C@H](F)C[C@H]2C[N@H+](C)CC[C@@H]2CCC[NH+]2C)o1 ZINC000348173191 279227632 /nfs/dbraw/zinc/22/76/32/279227632.db2.gz KJVFREWXFUOENI-ILXRZTDVSA-N 2 1 325.432 1.711 20 0 EDADMP Cc1nnc(N2C[C@H](F)C[C@H]2C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)o1 ZINC000348173191 279227633 /nfs/dbraw/zinc/22/76/33/279227633.db2.gz KJVFREWXFUOENI-ILXRZTDVSA-N 2 1 325.432 1.711 20 0 EDADMP Cc1nnc(N2C[C@H](F)C[C@H]2C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC000348173191 279227634 /nfs/dbraw/zinc/22/76/34/279227634.db2.gz KJVFREWXFUOENI-ILXRZTDVSA-N 2 1 325.432 1.711 20 0 EDADMP Cc1nnc(N2C[C@H](F)C[C@H]2C[NH+](C)CC[C@@H]2CCC[N@H+]2C)o1 ZINC000348173191 279227635 /nfs/dbraw/zinc/22/76/35/279227635.db2.gz KJVFREWXFUOENI-ILXRZTDVSA-N 2 1 325.432 1.711 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000417595549 279332442 /nfs/dbraw/zinc/33/24/42/279332442.db2.gz XTBXEFUWWOSRBJ-BPQIPLTHSA-N 2 1 330.476 1.758 20 0 EDADMP C[C@H]([NH3+])CCC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000262850957 279395587 /nfs/dbraw/zinc/39/55/87/279395587.db2.gz SHIQUHPTBDUDLJ-FUHWJXTLSA-N 2 1 332.492 1.609 20 0 EDADMP C[C@H]([NH3+])CCC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000262850957 279395589 /nfs/dbraw/zinc/39/55/89/279395589.db2.gz SHIQUHPTBDUDLJ-FUHWJXTLSA-N 2 1 332.492 1.609 20 0 EDADMP C[C@H]([NH3+])CCC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000262850957 279395592 /nfs/dbraw/zinc/39/55/92/279395592.db2.gz SHIQUHPTBDUDLJ-FUHWJXTLSA-N 2 1 332.492 1.609 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000332276114 288146190 /nfs/dbraw/zinc/14/61/90/288146190.db2.gz QIZXEVLHDNPAPE-OWCLPIDISA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332276114 288146193 /nfs/dbraw/zinc/14/61/93/288146193.db2.gz QIZXEVLHDNPAPE-OWCLPIDISA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332276114 288146194 /nfs/dbraw/zinc/14/61/94/288146194.db2.gz QIZXEVLHDNPAPE-OWCLPIDISA-N 2 1 338.496 1.100 20 0 EDADMP CC(C)[NH2+]CCN1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000367601891 279607623 /nfs/dbraw/zinc/60/76/23/279607623.db2.gz QFCKJPSCZVRDHG-INIZCTEOSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[C@H](C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1)[NH+]1CCCCC1 ZINC000347152555 280145128 /nfs/dbraw/zinc/14/51/28/280145128.db2.gz YWBLAAXOKCRLSF-DLBZAZTESA-N 2 1 325.497 1.412 20 0 EDADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)[NH+](C)C ZINC000347862205 280174760 /nfs/dbraw/zinc/17/47/60/280174760.db2.gz MRHITGMDCIXEBP-OIISXLGYSA-N 2 1 335.496 1.505 20 0 EDADMP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000424142087 280224511 /nfs/dbraw/zinc/22/45/11/280224511.db2.gz DBVFCDSGKFPOBL-INIZCTEOSA-N 2 1 346.479 1.293 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000287676490 288292818 /nfs/dbraw/zinc/29/28/18/288292818.db2.gz IYUJKUFAZGEDRB-JQHSSLGASA-N 2 1 346.475 1.140 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000287676490 288292819 /nfs/dbraw/zinc/29/28/19/288292819.db2.gz IYUJKUFAZGEDRB-JQHSSLGASA-N 2 1 346.475 1.140 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287902566 288351961 /nfs/dbraw/zinc/35/19/61/288351961.db2.gz ZSEZGDDWBJRXFL-HNNXBMFYSA-N 2 1 342.447 1.082 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000289826344 288786258 /nfs/dbraw/zinc/78/62/58/288786258.db2.gz BBZADYZRNDOKFU-IKGGRYGDSA-N 2 1 345.491 1.096 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000376780877 289042272 /nfs/dbraw/zinc/04/22/72/289042272.db2.gz ZYXSBFWXWVBWEX-LTIDMASMSA-N 2 1 336.480 1.118 20 0 EDADMP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)C(C)(C)C ZINC000458399911 289183839 /nfs/dbraw/zinc/18/38/39/289183839.db2.gz GIKGQEKVPXWVJK-CVEARBPZSA-N 2 1 342.528 1.499 20 0 EDADMP C[NH+](C)C[C@H](NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000369048554 289207823 /nfs/dbraw/zinc/20/78/23/289207823.db2.gz WEAMGSVRNUVEMC-SQNIBIBYSA-N 2 1 346.475 1.452 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292236833 289296307 /nfs/dbraw/zinc/29/63/07/289296307.db2.gz RKDNQQQIJNAAQL-OAHLLOKOSA-N 2 1 346.475 1.203 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1OCCc2sccc21 ZINC000292533662 289374206 /nfs/dbraw/zinc/37/42/06/289374206.db2.gz XGQGRVMDZUAXOR-SUMWQHHRSA-N 2 1 337.489 1.504 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362564484 290386262 /nfs/dbraw/zinc/38/62/62/290386262.db2.gz LCOYQBNKMCVNCL-LSDHHAIUSA-N 2 1 333.480 1.871 20 0 EDADMP COC[C@]1(CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000417866387 293290241 /nfs/dbraw/zinc/29/02/41/293290241.db2.gz CFOZALKZHOMEBX-DOTOQJQBSA-N 2 1 326.485 1.032 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCCCOC3CCCCC3)C[C@H]21 ZINC000342150167 295309430 /nfs/dbraw/zinc/30/94/30/295309430.db2.gz XDUCQENRFDIXJB-KBAYOESNSA-N 2 1 337.508 1.901 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)C[N@H+]1C1CC1 ZINC000358880027 297270956 /nfs/dbraw/zinc/27/09/56/297270956.db2.gz BKLQRHWASVKPFW-HZPDHXFCSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)C[NH+]1C1CC1 ZINC000358880027 297270957 /nfs/dbraw/zinc/27/09/57/297270957.db2.gz BKLQRHWASVKPFW-HZPDHXFCSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[NH+]1C1CC1 ZINC000358880027 297270958 /nfs/dbraw/zinc/27/09/58/297270958.db2.gz BKLQRHWASVKPFW-HZPDHXFCSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000358880027 297270960 /nfs/dbraw/zinc/27/09/60/297270960.db2.gz BKLQRHWASVKPFW-HZPDHXFCSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C[N@H+]1C1CC1 ZINC000358880027 297270961 /nfs/dbraw/zinc/27/09/61/297270961.db2.gz BKLQRHWASVKPFW-HZPDHXFCSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1CN(CC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000660139279 453070462 /nfs/dbraw/zinc/07/04/62/453070462.db2.gz QUYCMEFVYJBXPL-IRXDYDNUSA-N 3 1 326.529 1.053 20 0 EDADMP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329688 298143049 /nfs/dbraw/zinc/14/30/49/298143049.db2.gz ORWLNZMIFGAUFH-GMRIPVOYSA-N 2 1 337.508 1.757 20 0 EDADMP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329688 298143050 /nfs/dbraw/zinc/14/30/50/298143050.db2.gz ORWLNZMIFGAUFH-GMRIPVOYSA-N 2 1 337.508 1.757 20 0 EDADMP [NH3+][C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1Br ZINC000662514688 453232325 /nfs/dbraw/zinc/23/23/25/453232325.db2.gz NXISODNQCUSVQY-DZGCQCFKSA-N 2 1 338.249 1.661 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420378130 304753527 /nfs/dbraw/zinc/75/35/27/304753527.db2.gz WTZUFJRDXHNFPK-UWVAXJGDSA-N 2 1 344.503 1.307 20 0 EDADMP [NH3+][C@H](C(=O)N[C@H]1CCC[NH2+]CC1)c1ccccc1Br ZINC000662555041 453284160 /nfs/dbraw/zinc/28/41/60/453284160.db2.gz TYUBDZNVTNOTMR-GWCFXTLKSA-N 2 1 326.238 1.707 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000419655498 447323728 /nfs/dbraw/zinc/32/37/28/447323728.db2.gz HNLORCSEYDWSQY-GDBMZVCRSA-N 2 1 346.475 1.009 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000293936141 303040976 /nfs/dbraw/zinc/04/09/76/303040976.db2.gz CDMMFNVUSOGSJF-UHFFFAOYSA-N 2 1 332.408 1.281 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000295216684 303189966 /nfs/dbraw/zinc/18/99/66/303189966.db2.gz BBSAAUASYNNQMU-CVEARBPZSA-N 2 1 333.476 1.912 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000295216684 303189967 /nfs/dbraw/zinc/18/99/67/303189967.db2.gz BBSAAUASYNNQMU-CVEARBPZSA-N 2 1 333.476 1.912 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000296310819 303309458 /nfs/dbraw/zinc/30/94/58/303309458.db2.gz GNTZDEFIXDPCPU-IAGOWNOFSA-N 2 1 332.492 1.701 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000414874574 447337932 /nfs/dbraw/zinc/33/79/32/447337932.db2.gz IEUWYZNFNYWEER-HNNXBMFYSA-N 2 1 332.448 1.335 20 0 EDADMP C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422914894 304880076 /nfs/dbraw/zinc/88/00/76/304880076.db2.gz WKKWPFMIXMRMLT-APWZRJJASA-N 2 1 344.503 1.600 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000428985436 305021601 /nfs/dbraw/zinc/02/16/01/305021601.db2.gz VDVVSVMGTDVOPP-ALYAQQCSSA-N 2 1 325.497 1.625 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000428985436 305021602 /nfs/dbraw/zinc/02/16/02/305021602.db2.gz VDVVSVMGTDVOPP-ALYAQQCSSA-N 2 1 325.497 1.625 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCN3CCCOCC3)CC2)C[C@H](C)O1 ZINC000429677826 305034694 /nfs/dbraw/zinc/03/46/94/305034694.db2.gz DFQKKOOYKGBFCZ-HDICACEKSA-N 2 1 339.524 1.530 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CCN(CC[NH+]3CCCOCC3)CC2)C[C@H](C)O1 ZINC000429677826 305034695 /nfs/dbraw/zinc/03/46/95/305034695.db2.gz DFQKKOOYKGBFCZ-HDICACEKSA-N 2 1 339.524 1.530 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(CC[NH+]3CCCOCC3)CC2)C[C@H](C)O1 ZINC000429677826 305034696 /nfs/dbraw/zinc/03/46/96/305034696.db2.gz DFQKKOOYKGBFCZ-HDICACEKSA-N 2 1 339.524 1.530 20 0 EDADMP C[C@@H]1C[NH+](CC2CCN(CC[N@@H+]3CCCOCC3)CC2)C[C@H](C)O1 ZINC000429677826 305034697 /nfs/dbraw/zinc/03/46/97/305034697.db2.gz DFQKKOOYKGBFCZ-HDICACEKSA-N 2 1 339.524 1.530 20 0 EDADMP C[C@@H]1C[NH+](CC2CCN(CC[N@H+]3CCCOCC3)CC2)C[C@H](C)O1 ZINC000429677826 305034698 /nfs/dbraw/zinc/03/46/98/305034698.db2.gz DFQKKOOYKGBFCZ-HDICACEKSA-N 2 1 339.524 1.530 20 0 EDADMP CSC[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000430201720 305047378 /nfs/dbraw/zinc/04/73/78/305047378.db2.gz ZRBYVDPKHXFNLA-OAHLLOKOSA-N 2 1 335.521 1.803 20 0 EDADMP CSC[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000430201720 305047379 /nfs/dbraw/zinc/04/73/79/305047379.db2.gz ZRBYVDPKHXFNLA-OAHLLOKOSA-N 2 1 335.521 1.803 20 0 EDADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000430586397 305057189 /nfs/dbraw/zinc/05/71/89/305057189.db2.gz WITRTQPDYCDKOI-UHFFFAOYSA-N 2 1 332.448 1.905 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000430610655 305058865 /nfs/dbraw/zinc/05/88/65/305058865.db2.gz LEJCFCNPDXXHBQ-IBGZPJMESA-N 2 1 344.503 1.452 20 0 EDADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430618768 305059447 /nfs/dbraw/zinc/05/94/47/305059447.db2.gz WVKXNFACBFFTPB-ZDUSSCGKSA-N 2 1 348.472 1.998 20 0 EDADMP Cc1cc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)n(-c2ccccc2F)n1 ZINC000430628274 305060135 /nfs/dbraw/zinc/06/01/35/305060135.db2.gz VGYDCPNTXBMPCD-UHFFFAOYSA-N 2 1 345.422 1.929 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430918032 305067967 /nfs/dbraw/zinc/06/79/67/305067967.db2.gz LJRAOCIAPWZAHF-IJEWVQPXSA-N 2 1 349.475 1.420 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430918032 305067968 /nfs/dbraw/zinc/06/79/68/305067968.db2.gz LJRAOCIAPWZAHF-IJEWVQPXSA-N 2 1 349.475 1.420 20 0 EDADMP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@H]1[NH3+] ZINC000430942632 305069623 /nfs/dbraw/zinc/06/96/23/305069623.db2.gz MOAINXRKOHCPOO-CRAIPNDOSA-N 2 1 348.466 1.534 20 0 EDADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C1 ZINC000430941235 305069670 /nfs/dbraw/zinc/06/96/70/305069670.db2.gz VDYCYZFVHVHQRX-ZDUSSCGKSA-N 2 1 345.365 1.525 20 0 EDADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C1 ZINC000430941235 305069671 /nfs/dbraw/zinc/06/96/71/305069671.db2.gz VDYCYZFVHVHQRX-ZDUSSCGKSA-N 2 1 345.365 1.525 20 0 EDADMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000430958739 305070821 /nfs/dbraw/zinc/07/08/21/305070821.db2.gz ZHKJFSQVJAZQFB-CYBMUJFWSA-N 2 1 335.448 1.962 20 0 EDADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430966128 305071545 /nfs/dbraw/zinc/07/15/45/305071545.db2.gz MPZJFEWJFOHIAK-CVEARBPZSA-N 2 1 348.466 1.404 20 0 EDADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430966128 305071546 /nfs/dbraw/zinc/07/15/46/305071546.db2.gz MPZJFEWJFOHIAK-CVEARBPZSA-N 2 1 348.466 1.404 20 0 EDADMP COC(=O)[C@@H]1CCC[NH+]([C@H](C)CC[N@@H+]2CCC[C@@H](C(=O)OC)C2)C1 ZINC000431594241 305080273 /nfs/dbraw/zinc/08/02/73/305080273.db2.gz FFCSQWUTOHOBOD-BZUAXINKSA-N 2 1 340.464 1.535 20 0 EDADMP COC(=O)[C@@H]1CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)OC)C2)C1 ZINC000431594241 305080274 /nfs/dbraw/zinc/08/02/74/305080274.db2.gz FFCSQWUTOHOBOD-BZUAXINKSA-N 2 1 340.464 1.535 20 0 EDADMP COC(=O)[C@@H]1CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@@H](C(=O)OC)C2)C1 ZINC000431594241 305080275 /nfs/dbraw/zinc/08/02/75/305080275.db2.gz FFCSQWUTOHOBOD-BZUAXINKSA-N 2 1 340.464 1.535 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000433122850 305101121 /nfs/dbraw/zinc/10/11/21/305101121.db2.gz XHFIQEADNBSSDO-IBGZPJMESA-N 2 1 346.519 1.494 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433294773 305105264 /nfs/dbraw/zinc/10/52/64/305105264.db2.gz NFQQTIGMOQZKEO-DLBZAZTESA-N 2 1 342.528 1.763 20 0 EDADMP C[C@H](CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[NH+](C)C1CC1 ZINC000433327858 305105882 /nfs/dbraw/zinc/10/58/82/305105882.db2.gz BFEDYXRYPKOIES-CABCVRRESA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433358016 305106475 /nfs/dbraw/zinc/10/64/75/305106475.db2.gz XJAMPQGMHSJDHB-WMZOPIPTSA-N 2 1 332.492 1.432 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C1=CC[NH+](C)CC1 ZINC000434387015 305121490 /nfs/dbraw/zinc/12/14/90/305121490.db2.gz LWZBVRKTGPBPCJ-OAHLLOKOSA-N 2 1 338.496 1.389 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C1=CC[NH+](C)CC1 ZINC000434387015 305121491 /nfs/dbraw/zinc/12/14/91/305121491.db2.gz LWZBVRKTGPBPCJ-OAHLLOKOSA-N 2 1 338.496 1.389 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1)C1=CC[N@H+](C)CC1 ZINC000434387015 305121492 /nfs/dbraw/zinc/12/14/92/305121492.db2.gz LWZBVRKTGPBPCJ-OAHLLOKOSA-N 2 1 338.496 1.389 20 0 EDADMP C[C@@H](NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1)C1=CC[N@@H+](C)CC1 ZINC000434387015 305121493 /nfs/dbraw/zinc/12/14/93/305121493.db2.gz LWZBVRKTGPBPCJ-OAHLLOKOSA-N 2 1 338.496 1.389 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCn2ccnc2C1 ZINC000440137243 305203447 /nfs/dbraw/zinc/20/34/47/305203447.db2.gz SYGYLCRMRAHBGA-DLBZAZTESA-N 2 1 347.507 1.320 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442759106 305229636 /nfs/dbraw/zinc/22/96/36/305229636.db2.gz QECYJNGQTMDXBM-HOTGVXAUSA-N 2 1 333.476 1.899 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442759106 305229637 /nfs/dbraw/zinc/22/96/37/305229637.db2.gz QECYJNGQTMDXBM-HOTGVXAUSA-N 2 1 333.476 1.899 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC000448258951 305294899 /nfs/dbraw/zinc/29/48/99/305294899.db2.gz ZVQFUDPHXWDDOZ-PMPSAXMXSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC000448258951 305294900 /nfs/dbraw/zinc/29/49/00/305294900.db2.gz ZVQFUDPHXWDDOZ-PMPSAXMXSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC000448258951 305294901 /nfs/dbraw/zinc/29/49/01/305294901.db2.gz ZVQFUDPHXWDDOZ-PMPSAXMXSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000449333843 305311964 /nfs/dbraw/zinc/31/19/64/305311964.db2.gz WEUDFNYGKXRVSB-IUODEOHRSA-N 2 1 337.414 1.901 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@@H]1C ZINC000449348625 305312409 /nfs/dbraw/zinc/31/24/09/305312409.db2.gz MJQAJSHALYIGPK-LPHOPBHVSA-N 2 1 331.460 1.097 20 0 EDADMP COCC[N@H+]1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@@H]1C ZINC000449348625 305312410 /nfs/dbraw/zinc/31/24/10/305312410.db2.gz MJQAJSHALYIGPK-LPHOPBHVSA-N 2 1 331.460 1.097 20 0 EDADMP CC[C@@H](C(=O)NC[C@H]1CCCC[NH+]1CCO)[N@@H+](C)Cc1ccccc1 ZINC000452367672 305393334 /nfs/dbraw/zinc/39/33/34/305393334.db2.gz BTDKKFWUBWVHEI-MOPGFXCFSA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)[NH+](C)Cc1ccccc1 ZINC000452367672 305393335 /nfs/dbraw/zinc/39/33/35/305393335.db2.gz BTDKKFWUBWVHEI-MOPGFXCFSA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CCO)[NH+](C)Cc1ccccc1 ZINC000452367672 305393336 /nfs/dbraw/zinc/39/33/36/305393336.db2.gz BTDKKFWUBWVHEI-MOPGFXCFSA-N 2 1 347.503 1.860 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414904607 447351187 /nfs/dbraw/zinc/35/11/87/447351187.db2.gz NCBNUZQDJYOTLP-KBPBESRZSA-N 2 1 332.448 1.445 20 0 EDADMP CC[NH+](CC)CC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000522171962 305800675 /nfs/dbraw/zinc/80/06/75/305800675.db2.gz YTWILIXPIQTPDM-HNNXBMFYSA-N 2 1 338.521 1.495 20 0 EDADMP COc1cc(F)cc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000449123522 447364333 /nfs/dbraw/zinc/36/43/33/447364333.db2.gz NIPQGZRPPNMIKC-UHFFFAOYSA-N 2 1 337.439 1.867 20 0 EDADMP COc1cc(NC(=O)Cn2c[nH+]cc2C)ccc1OCC[NH+](C)C ZINC000529493565 305915576 /nfs/dbraw/zinc/91/55/76/305915576.db2.gz CYWGRINSWDRTDZ-UHFFFAOYSA-N 2 1 332.404 1.779 20 0 EDADMP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1ccc(F)cc1 ZINC000530238168 305935425 /nfs/dbraw/zinc/93/54/25/305935425.db2.gz KKLSTJWRILWVFD-KRWDZBQOSA-N 2 1 335.423 1.855 20 0 EDADMP O=C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1cccc(F)c1 ZINC000530237211 305935460 /nfs/dbraw/zinc/93/54/60/305935460.db2.gz BQFUGWCKZCMEPS-QGZVFWFLSA-N 2 1 335.423 1.855 20 0 EDADMP COc1ccc([C@H](CCn2cncn2)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530354963 305938636 /nfs/dbraw/zinc/93/86/36/305938636.db2.gz MQCYNHPEVCXORB-SFHVURJKSA-N 2 1 340.431 1.984 20 0 EDADMP COC[C@@]1(C[NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2)CCC[NH2+]1 ZINC000414940041 447366435 /nfs/dbraw/zinc/36/64/35/447366435.db2.gz GWADPGRKFKOLBB-KDOFPFPSSA-N 2 1 335.448 1.771 20 0 EDADMP C[C@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C(C)(C)C[NH+](C)C ZINC000538685105 306032357 /nfs/dbraw/zinc/03/23/57/306032357.db2.gz XPZCMJQNEIPHBA-LBPRGKRZSA-N 2 1 346.479 1.740 20 0 EDADMP Cc1nc(N2C[C@@H](C)[NH+](C)[C@@H](C)C2)cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)n1 ZINC000555221492 306200328 /nfs/dbraw/zinc/20/03/28/306200328.db2.gz UPOXRCPNNYFPTI-GEEKYZPCSA-N 2 1 346.523 1.843 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000557168739 306225261 /nfs/dbraw/zinc/22/52/61/306225261.db2.gz CHNIKKQVHDFOHC-BPQIPLTHSA-N 2 1 346.475 1.091 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000414954636 447372457 /nfs/dbraw/zinc/37/24/57/447372457.db2.gz LRAYBWVBYPSETI-CXAGYDPISA-N 2 1 344.459 1.334 20 0 EDADMP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414979911 447383408 /nfs/dbraw/zinc/38/34/08/447383408.db2.gz VEOIMOMYNKTBGF-YSTOQKLRSA-N 2 1 328.504 1.390 20 0 EDADMP COc1c(O)cccc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414987442 447384923 /nfs/dbraw/zinc/38/49/23/447384923.db2.gz OIAYIUFJNPSSIU-CYBMUJFWSA-N 2 1 333.354 1.327 20 0 EDADMP COCCOCC[NH+]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000660925086 453648332 /nfs/dbraw/zinc/64/83/32/453648332.db2.gz ZTANJYGWYASVCR-QZTJIDSGSA-N 2 1 327.513 1.245 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000378071103 447399030 /nfs/dbraw/zinc/39/90/30/447399030.db2.gz LBMIXEHVXBXSKB-BZUAXINKSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000378071103 447399037 /nfs/dbraw/zinc/39/90/37/447399037.db2.gz LBMIXEHVXBXSKB-BZUAXINKSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000458541183 447405243 /nfs/dbraw/zinc/40/52/43/447405243.db2.gz RWZYUEMBBMJGCC-SJORKVTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000458541183 447405249 /nfs/dbraw/zinc/40/52/49/447405249.db2.gz RWZYUEMBBMJGCC-SJORKVTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000458541183 447405256 /nfs/dbraw/zinc/40/52/56/447405256.db2.gz RWZYUEMBBMJGCC-SJORKVTESA-N 2 1 340.512 1.110 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(CCO)C[C@@H]1C ZINC000458576445 447418185 /nfs/dbraw/zinc/41/81/85/447418185.db2.gz PHRACKVMBUIDTK-IRXDYDNUSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000458576445 447418188 /nfs/dbraw/zinc/41/81/88/447418188.db2.gz PHRACKVMBUIDTK-IRXDYDNUSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000458576445 447418194 /nfs/dbraw/zinc/41/81/94/447418194.db2.gz PHRACKVMBUIDTK-IRXDYDNUSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000458576445 447418199 /nfs/dbraw/zinc/41/81/99/447418199.db2.gz PHRACKVMBUIDTK-IRXDYDNUSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000458576445 447418206 /nfs/dbraw/zinc/41/82/06/447418206.db2.gz PHRACKVMBUIDTK-IRXDYDNUSA-N 2 1 340.512 1.205 20 0 EDADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CC(=O)NC1CCOCC1)CC2)C1CC1 ZINC000378355309 447420040 /nfs/dbraw/zinc/42/00/40/447420040.db2.gz OACCDLSIIMLGDD-HNNXBMFYSA-N 2 1 335.492 1.478 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000422246330 447422018 /nfs/dbraw/zinc/42/20/18/447422018.db2.gz RVIWYAGSGDQELW-RYTJFDOTSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000422246330 447422022 /nfs/dbraw/zinc/42/20/22/447422022.db2.gz RVIWYAGSGDQELW-RYTJFDOTSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](O)C1 ZINC000071832610 441164539 /nfs/dbraw/zinc/16/45/39/441164539.db2.gz MCYCOWMTKXNQQT-APWZRJJASA-N 2 1 345.487 1.612 20 0 EDADMP CC[NH+]1CCC(NC(=O)CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000080655713 441186781 /nfs/dbraw/zinc/18/67/81/441186781.db2.gz MZHWYVPPHBCWKT-MSOLQXFVSA-N 2 1 336.524 1.534 20 0 EDADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1)[N@@H+](C)C1CC1 ZINC000105112398 441234936 /nfs/dbraw/zinc/23/49/36/441234936.db2.gz KMVHOADFYCVELC-HNNXBMFYSA-N 2 1 345.491 1.828 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105147332 441238665 /nfs/dbraw/zinc/23/86/65/441238665.db2.gz NCBPCNJYTSCGKS-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](O)c1ccccc1 ZINC000081314928 441253690 /nfs/dbraw/zinc/25/36/90/441253690.db2.gz AWJBMANPMTYEPX-ZWKOTPCHSA-N 2 1 333.476 1.595 20 0 EDADMP O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000072844775 441269198 /nfs/dbraw/zinc/26/91/98/441269198.db2.gz WLSWYQMDDOXKOS-SFHVURJKSA-N 2 1 328.460 1.789 20 0 EDADMP O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000072844775 441269200 /nfs/dbraw/zinc/26/92/00/441269200.db2.gz WLSWYQMDDOXKOS-SFHVURJKSA-N 2 1 328.460 1.789 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](C)CC2)C1 ZINC000063308627 441325020 /nfs/dbraw/zinc/32/50/20/441325020.db2.gz JRMLGIGWIPEENH-IAGOWNOFSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H](C)CC2)C1 ZINC000063308627 441325024 /nfs/dbraw/zinc/32/50/24/441325024.db2.gz JRMLGIGWIPEENH-IAGOWNOFSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H](C)CC2)C1 ZINC000063308627 441325029 /nfs/dbraw/zinc/32/50/29/441325029.db2.gz JRMLGIGWIPEENH-IAGOWNOFSA-N 2 1 325.497 1.581 20 0 EDADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081724662 441305225 /nfs/dbraw/zinc/30/52/25/441305225.db2.gz KQXQBHVQEXIZKX-MSOLQXFVSA-N 3 1 338.540 1.593 20 0 EDADMP CC[N@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000073896985 441367196 /nfs/dbraw/zinc/36/71/96/441367196.db2.gz BYHQIHNYHTVOEL-KRWDZBQOSA-N 2 1 347.507 1.448 20 0 EDADMP CC[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000073896985 441367200 /nfs/dbraw/zinc/36/72/00/441367200.db2.gz BYHQIHNYHTVOEL-KRWDZBQOSA-N 2 1 347.507 1.448 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1C ZINC000083738523 441373437 /nfs/dbraw/zinc/37/34/37/441373437.db2.gz IUXIAIPJFUCMQD-AWEZNQCLSA-N 2 1 334.468 1.256 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000074181561 441403498 /nfs/dbraw/zinc/40/34/98/441403498.db2.gz JRBOTFWAGLJVCF-QGZVFWFLSA-N 2 1 347.507 1.783 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074856791 441473275 /nfs/dbraw/zinc/47/32/75/441473275.db2.gz BCROCMYWTDCKKD-QGZVFWFLSA-N 2 1 333.480 1.955 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074856791 441473276 /nfs/dbraw/zinc/47/32/76/441473276.db2.gz BCROCMYWTDCKKD-QGZVFWFLSA-N 2 1 333.480 1.955 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000052552966 441458988 /nfs/dbraw/zinc/45/89/88/441458988.db2.gz BTBRTFFXUNKJMF-KRWDZBQOSA-N 2 1 331.464 1.439 20 0 EDADMP COc1cccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)[NH+](C)C)c1 ZINC000108541274 441461742 /nfs/dbraw/zinc/46/17/42/441461742.db2.gz WDVOJWJIQFHPBW-YJBOKZPZSA-N 2 1 348.491 1.939 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2cnn(C)c2)CC1 ZINC000066155611 441507859 /nfs/dbraw/zinc/50/78/59/441507859.db2.gz CMQZTSCPIWHGGH-UHFFFAOYSA-N 2 1 349.523 1.822 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066920369 441587529 /nfs/dbraw/zinc/58/75/29/441587529.db2.gz XXQUHDOHHNPVNB-JHNDHUHGSA-N 2 1 325.497 1.577 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000076981280 441702269 /nfs/dbraw/zinc/70/22/69/441702269.db2.gz PEEWFDNSDIHFFW-MRXNPFEDSA-N 2 1 329.448 1.398 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@H+](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000158270726 441714788 /nfs/dbraw/zinc/71/47/88/441714788.db2.gz MYZYREULPQUXNX-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000158270726 441714791 /nfs/dbraw/zinc/71/47/91/441714791.db2.gz MYZYREULPQUXNX-INIZCTEOSA-N 2 1 340.512 1.518 20 0 EDADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000121487049 441716929 /nfs/dbraw/zinc/71/69/29/441716929.db2.gz VZNARGCLHJKIGU-GOSISDBHSA-N 2 1 327.513 1.123 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000121709071 441764008 /nfs/dbraw/zinc/76/40/08/441764008.db2.gz MRSUCGKXDIJBTI-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP COCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121709071 441764018 /nfs/dbraw/zinc/76/40/18/441764018.db2.gz MRSUCGKXDIJBTI-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP COCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000121709071 441764023 /nfs/dbraw/zinc/76/40/23/441764023.db2.gz MRSUCGKXDIJBTI-SFHVURJKSA-N 2 1 333.476 1.736 20 0 EDADMP CCC(CC)[C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000173531401 441779989 /nfs/dbraw/zinc/77/99/89/441779989.db2.gz ANWAQMYHIWYKOT-SFHVURJKSA-N 2 1 339.524 1.924 20 0 EDADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 ZINC000173619338 441807441 /nfs/dbraw/zinc/80/74/41/441807441.db2.gz HWBKGHPIEJFSGU-HNNXBMFYSA-N 2 1 346.475 1.863 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)[N@@H+](C)C1CC1 ZINC000077593382 441810956 /nfs/dbraw/zinc/81/09/56/441810956.db2.gz UECNPVXLZYXKLG-HNNXBMFYSA-N 2 1 338.496 1.223 20 0 EDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000173906926 441860856 /nfs/dbraw/zinc/86/08/56/441860856.db2.gz YNSOXOUPCHMQEN-QGZVFWFLSA-N 2 1 346.475 1.676 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000173906926 441860860 /nfs/dbraw/zinc/86/08/60/441860860.db2.gz YNSOXOUPCHMQEN-QGZVFWFLSA-N 2 1 346.475 1.676 20 0 EDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000173906926 441860863 /nfs/dbraw/zinc/86/08/63/441860863.db2.gz YNSOXOUPCHMQEN-QGZVFWFLSA-N 2 1 346.475 1.676 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@@H]21 ZINC000140014360 441830328 /nfs/dbraw/zinc/83/03/28/441830328.db2.gz VEHGALKJNUYOIV-RDJZCZTQSA-N 2 1 344.459 1.530 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@@H]21 ZINC000140014360 441830332 /nfs/dbraw/zinc/83/03/32/441830332.db2.gz VEHGALKJNUYOIV-RDJZCZTQSA-N 2 1 344.459 1.530 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@@H]21 ZINC000140014360 441830338 /nfs/dbraw/zinc/83/03/38/441830338.db2.gz VEHGALKJNUYOIV-RDJZCZTQSA-N 2 1 344.459 1.530 20 0 EDADMP C[C@H]1CCC[N@H+]1C1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092923740 441841579 /nfs/dbraw/zinc/84/15/79/441841579.db2.gz ZLMPVSJMNJAKOP-ZDUSSCGKSA-N 2 1 327.436 1.698 20 0 EDADMP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[NH+](C)CC2)CC1 ZINC000043575070 441847561 /nfs/dbraw/zinc/84/75/61/441847561.db2.gz KPMHKCQVJSIDKG-UHFFFAOYSA-N 2 1 331.464 1.608 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000174181200 441899881 /nfs/dbraw/zinc/89/98/81/441899881.db2.gz ZDHBTCRMQPGIMN-SFHVURJKSA-N 2 1 344.503 1.506 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC(=O)N(C)C)CC1 ZINC000162488285 442097200 /nfs/dbraw/zinc/09/72/00/442097200.db2.gz UXONLGFSYQHWPN-UHFFFAOYSA-N 2 1 332.492 1.739 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176191523 442187984 /nfs/dbraw/zinc/18/79/84/442187984.db2.gz PUDODBGPVLEPQC-DLBZAZTESA-N 2 1 338.496 1.225 20 0 EDADMP C[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000166597103 442217730 /nfs/dbraw/zinc/21/77/30/442217730.db2.gz OJBPZHFMUCIQGP-KRWDZBQOSA-N 2 1 345.487 1.392 20 0 EDADMP CC[NH+]1CCN(CC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000153117664 442262657 /nfs/dbraw/zinc/26/26/57/442262657.db2.gz HGKWNKOQNAPKNW-UHFFFAOYSA-N 2 1 346.519 1.651 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)(O)CC1 ZINC000177314868 442328258 /nfs/dbraw/zinc/32/82/58/442328258.db2.gz KLEWFIDGXZETBJ-WMZOPIPTSA-N 2 1 345.487 1.612 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)(O)CC1 ZINC000177314868 442328261 /nfs/dbraw/zinc/32/82/61/442328261.db2.gz KLEWFIDGXZETBJ-WMZOPIPTSA-N 2 1 345.487 1.612 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132978996 442403846 /nfs/dbraw/zinc/40/38/46/442403846.db2.gz DNFVXHKPRZWJOF-SFHVURJKSA-N 2 1 333.476 1.688 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132978996 442403849 /nfs/dbraw/zinc/40/38/49/442403849.db2.gz DNFVXHKPRZWJOF-SFHVURJKSA-N 2 1 333.476 1.688 20 0 EDADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171896353 442387898 /nfs/dbraw/zinc/38/78/98/442387898.db2.gz QKWXDQVDFHHMLZ-CVEARBPZSA-N 2 1 332.448 1.906 20 0 EDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000171905743 442389211 /nfs/dbraw/zinc/38/92/11/442389211.db2.gz OZGTUYFQVDMGPX-HOCLYGCPSA-N 2 1 337.468 1.238 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000171905743 442389212 /nfs/dbraw/zinc/38/92/12/442389212.db2.gz OZGTUYFQVDMGPX-HOCLYGCPSA-N 2 1 337.468 1.238 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000171908321 442390248 /nfs/dbraw/zinc/39/02/48/442390248.db2.gz NWNKLBOKAHONEM-MRXNPFEDSA-N 2 1 326.485 1.080 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000133842272 442436310 /nfs/dbraw/zinc/43/63/10/442436310.db2.gz AODGSSADIJAVLK-KEYYUXOJSA-N 2 1 339.505 1.755 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000133842272 442436311 /nfs/dbraw/zinc/43/63/11/442436311.db2.gz AODGSSADIJAVLK-KEYYUXOJSA-N 2 1 339.505 1.755 20 0 EDADMP C[C@H](CNC(=O)C[NH2+]CC1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000178875146 442510889 /nfs/dbraw/zinc/51/08/89/442510889.db2.gz LMXVHMJDTXVKRZ-MRXNPFEDSA-N 2 1 330.476 1.313 20 0 EDADMP CC[C@]1(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000134578792 442498040 /nfs/dbraw/zinc/49/80/40/442498040.db2.gz OOTZEPCGYFEYHJ-LJQANCHMSA-N 2 1 344.459 1.545 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000178842461 442500331 /nfs/dbraw/zinc/50/03/31/442500331.db2.gz BWRHORUWDUFEHJ-JCKWVBRZSA-N 2 1 349.475 1.768 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000178842461 442500332 /nfs/dbraw/zinc/50/03/32/442500332.db2.gz BWRHORUWDUFEHJ-JCKWVBRZSA-N 2 1 349.475 1.768 20 0 EDADMP [NH3+]CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000178856528 442504956 /nfs/dbraw/zinc/50/49/56/442504956.db2.gz JTXFMUYQCBVIPK-UHFFFAOYSA-N 2 1 326.238 1.488 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000156327437 442467819 /nfs/dbraw/zinc/46/78/19/442467819.db2.gz SOHKYUHPWKERPE-ZACQAIPSSA-N 2 1 340.512 1.374 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000156327437 442467824 /nfs/dbraw/zinc/46/78/24/442467824.db2.gz SOHKYUHPWKERPE-ZACQAIPSSA-N 2 1 340.512 1.374 20 0 EDADMP COC(=O)C1([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)CCCC1 ZINC000191585976 442470734 /nfs/dbraw/zinc/47/07/34/442470734.db2.gz FNNPRFPJAKRMAD-UHFFFAOYSA-N 2 1 325.497 1.820 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000172770067 442540385 /nfs/dbraw/zinc/54/03/85/442540385.db2.gz IDUWPSHCVHUNQY-OALUTQOASA-N 2 1 345.487 1.388 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000172770067 442540388 /nfs/dbraw/zinc/54/03/88/442540388.db2.gz IDUWPSHCVHUNQY-OALUTQOASA-N 2 1 345.487 1.388 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000172770067 442540391 /nfs/dbraw/zinc/54/03/91/442540391.db2.gz IDUWPSHCVHUNQY-OALUTQOASA-N 2 1 345.487 1.388 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000172770067 442540395 /nfs/dbraw/zinc/54/03/95/442540395.db2.gz IDUWPSHCVHUNQY-OALUTQOASA-N 2 1 345.487 1.388 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC000187023088 442646200 /nfs/dbraw/zinc/64/62/00/442646200.db2.gz BHRBUUXOLLRNQN-NVXWUHKLSA-N 2 1 325.497 1.629 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC000187023088 442646202 /nfs/dbraw/zinc/64/62/02/442646202.db2.gz BHRBUUXOLLRNQN-NVXWUHKLSA-N 2 1 325.497 1.629 20 0 EDADMP CC(C)(C)OC(=O)CNC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000181556319 442703591 /nfs/dbraw/zinc/70/35/91/442703591.db2.gz WNYOATQGZQJNPN-UHFFFAOYSA-N 2 1 339.480 1.252 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000187287003 442667200 /nfs/dbraw/zinc/66/72/00/442667200.db2.gz AODLCGNROQHFFE-CQSZACIVSA-N 2 1 338.496 1.100 20 0 EDADMP C[NH2+]CC(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193134999 442716815 /nfs/dbraw/zinc/71/68/15/442716815.db2.gz ZODFNLLZFSIEAA-INIZCTEOSA-N 2 1 327.432 1.796 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1(CC)CC ZINC000181686687 442709580 /nfs/dbraw/zinc/70/95/80/442709580.db2.gz XLBSOAJGFOTEEA-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C[NH+]1CCOCC1 ZINC000246616849 442797126 /nfs/dbraw/zinc/79/71/26/442797126.db2.gz DWKZQMYAIOBXOZ-IKGGRYGDSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C[NH+]1CCOCC1 ZINC000246616849 442797130 /nfs/dbraw/zinc/79/71/30/442797130.db2.gz DWKZQMYAIOBXOZ-IKGGRYGDSA-N 2 1 338.496 1.080 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)CCc3ccccc3)C2)CC1 ZINC000182364599 442760716 /nfs/dbraw/zinc/76/07/16/442760716.db2.gz IKDGIUCISHMUQO-VQTJNVASSA-N 2 1 331.504 1.692 20 0 EDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246283684 442769430 /nfs/dbraw/zinc/76/94/30/442769430.db2.gz KEYUSOHENPNGSY-CVEARBPZSA-N 2 1 331.526 1.464 20 0 EDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246283684 442769435 /nfs/dbraw/zinc/76/94/35/442769435.db2.gz KEYUSOHENPNGSY-CVEARBPZSA-N 2 1 331.526 1.464 20 0 EDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246283684 442769440 /nfs/dbraw/zinc/76/94/40/442769440.db2.gz KEYUSOHENPNGSY-CVEARBPZSA-N 2 1 331.526 1.464 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000268139999 442865305 /nfs/dbraw/zinc/86/53/05/442865305.db2.gz QSGHNYVZHPCUFP-SZVBFZGTSA-N 2 1 344.503 1.941 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000183204286 442902636 /nfs/dbraw/zinc/90/26/36/442902636.db2.gz JMECTKCUVQAZLL-MRXNPFEDSA-N 2 1 334.464 1.626 20 0 EDADMP C[C@H](O)[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000183222258 442907295 /nfs/dbraw/zinc/90/72/95/442907295.db2.gz UPQGEPIKIIRKJE-LPHOPBHVSA-N 2 1 345.487 1.601 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000248630540 442909944 /nfs/dbraw/zinc/90/99/44/442909944.db2.gz OZQUGPGGJKOTGB-HOTGVXAUSA-N 2 1 348.491 1.345 20 0 EDADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000248742066 442923350 /nfs/dbraw/zinc/92/33/50/442923350.db2.gz DPUYKZJHHCVYLM-ROUUACIJSA-N 2 1 325.497 1.632 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000248742066 442923353 /nfs/dbraw/zinc/92/33/53/442923353.db2.gz DPUYKZJHHCVYLM-ROUUACIJSA-N 2 1 325.497 1.632 20 0 EDADMP C[C@@H]1CCC[C@@H](CO)[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249363852 442968940 /nfs/dbraw/zinc/96/89/40/442968940.db2.gz UBISBUVKBVUFTN-BPQIPLTHSA-N 2 1 333.476 1.641 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194962901 442972495 /nfs/dbraw/zinc/97/24/95/442972495.db2.gz PSJHDTIUESMLHJ-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194962901 442972498 /nfs/dbraw/zinc/97/24/98/442972498.db2.gz PSJHDTIUESMLHJ-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194962901 442972501 /nfs/dbraw/zinc/97/25/01/442972501.db2.gz PSJHDTIUESMLHJ-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194962901 442972509 /nfs/dbraw/zinc/97/25/09/442972509.db2.gz PSJHDTIUESMLHJ-IXDOHACOSA-N 2 1 340.512 1.611 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000184143292 442996488 /nfs/dbraw/zinc/99/64/88/442996488.db2.gz OLMJKVFYEGDMTP-UHFFFAOYSA-N 2 1 334.464 1.755 20 0 EDADMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000249104017 442951617 /nfs/dbraw/zinc/95/16/17/442951617.db2.gz KRGAXGINZUTGRX-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP COC(=O)COC[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000295563251 318650676 /nfs/dbraw/zinc/65/06/76/318650676.db2.gz ZIJLYTASWGNTNO-ZDUSSCGKSA-N 2 1 336.436 1.230 20 0 EDADMP CO[C@@H]1C[NH+](CC2(C[N@H+]3CC[C@H](C)[C@H](OC)C3)COC2)CC[C@@H]1C ZINC000252006995 443020506 /nfs/dbraw/zinc/02/05/06/443020506.db2.gz XDIVFPIAMFDSEZ-WNRNVDISSA-N 2 1 340.508 1.717 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000184587975 443044468 /nfs/dbraw/zinc/04/44/68/443044468.db2.gz RGSNGVSLCIXZNK-UHFFFAOYSA-N 2 1 348.491 1.264 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C[C@H]1[NH+](C)C ZINC000266181592 443048237 /nfs/dbraw/zinc/04/82/37/443048237.db2.gz LWAWHHHEWNMTIF-LZQZEXGQSA-N 2 1 345.487 1.593 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N(C)CC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000185102925 443138301 /nfs/dbraw/zinc/13/83/01/443138301.db2.gz XHIJHFRDFLLZGN-GJZGRUSLSA-N 2 1 340.512 1.610 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N(C)CC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000185102925 443138302 /nfs/dbraw/zinc/13/83/02/443138302.db2.gz XHIJHFRDFLLZGN-GJZGRUSLSA-N 2 1 340.512 1.610 20 0 EDADMP CCC(CC)[C@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000236689131 443144552 /nfs/dbraw/zinc/14/45/52/443144552.db2.gz MJVJXGIQGGSUCL-SJORKVTESA-N 2 1 341.496 1.008 20 0 EDADMP C[C@H](NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cnccn1 ZINC000268790475 443108921 /nfs/dbraw/zinc/10/89/21/443108921.db2.gz GFKSFKBPHNRSCR-INIZCTEOSA-N 2 1 326.448 1.735 20 0 EDADMP COCc1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261894955 443173391 /nfs/dbraw/zinc/17/33/91/443173391.db2.gz ASTMOBYTNWCDFR-MOPGFXCFSA-N 2 1 345.487 1.913 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C ZINC000261979773 443177078 /nfs/dbraw/zinc/17/70/78/443177078.db2.gz RFWFAUKVVODFPI-XIRDDKMYSA-N 2 1 334.464 1.622 20 0 EDADMP c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)nc1 ZINC000262052731 443181039 /nfs/dbraw/zinc/18/10/39/443181039.db2.gz ZVPZYOBPODESIY-KSZLIROESA-N 2 1 330.476 1.797 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CCC[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000262141807 443184165 /nfs/dbraw/zinc/18/41/65/443184165.db2.gz PJBLRLMJZZBYEO-RCCFBDPRSA-N 2 1 329.444 1.841 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CCC[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000262141807 443184169 /nfs/dbraw/zinc/18/41/69/443184169.db2.gz PJBLRLMJZZBYEO-RCCFBDPRSA-N 2 1 329.444 1.841 20 0 EDADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000185199914 443159414 /nfs/dbraw/zinc/15/94/14/443159414.db2.gz TUITVQZTPHZAIV-ROUUACIJSA-N 2 1 347.507 1.912 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719467 443244354 /nfs/dbraw/zinc/24/43/54/443244354.db2.gz YYGPGKRGRGNUJN-NBMJBFSESA-N 2 1 340.508 1.786 20 0 EDADMP C[C@@H](C(=O)N1CCC(OCCC[NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000269187801 443226385 /nfs/dbraw/zinc/22/63/85/443226385.db2.gz GZKKSIHRMYPWPY-INIZCTEOSA-N 2 1 333.476 1.863 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000357651929 319112241 /nfs/dbraw/zinc/11/22/41/319112241.db2.gz OPNAWHLZVRKJHP-DLBZAZTESA-N 2 1 342.528 1.763 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000357651929 319112242 /nfs/dbraw/zinc/11/22/42/319112242.db2.gz OPNAWHLZVRKJHP-DLBZAZTESA-N 2 1 342.528 1.763 20 0 EDADMP COC1(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000383430644 319125376 /nfs/dbraw/zinc/12/53/76/319125376.db2.gz BSNRRKZYASRGKP-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCSC[C@@H]2C2CC2)CC1 ZINC000411784949 319203649 /nfs/dbraw/zinc/20/36/49/319203649.db2.gz HYUSYRRJTPAAKA-MRXNPFEDSA-N 2 1 325.522 1.803 20 0 EDADMP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414688018 319342761 /nfs/dbraw/zinc/34/27/61/319342761.db2.gz CPNSPKJYJWCXLG-HUUCEWRRSA-N 2 1 339.480 1.108 20 0 EDADMP COC(=O)[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000415010985 319345539 /nfs/dbraw/zinc/34/55/39/319345539.db2.gz VKZFRROSIGHZHB-OCCSQVGLSA-N 2 1 342.386 1.961 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000415189592 319348449 /nfs/dbraw/zinc/34/84/49/319348449.db2.gz WNXKJXHAZSNGNN-ZIAGYGMSSA-N 2 1 332.448 1.286 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000415189592 319348451 /nfs/dbraw/zinc/34/84/51/319348451.db2.gz WNXKJXHAZSNGNN-ZIAGYGMSSA-N 2 1 332.448 1.286 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000415259438 319358091 /nfs/dbraw/zinc/35/80/91/319358091.db2.gz UQCARJNBXQFHLJ-CQSZACIVSA-N 2 1 344.459 1.287 20 0 EDADMP C[C@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415717815 319366106 /nfs/dbraw/zinc/36/61/06/319366106.db2.gz DKDJUVLOEGJUAC-IINYFYTJSA-N 2 1 338.839 1.288 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266877947 443276579 /nfs/dbraw/zinc/27/65/79/443276579.db2.gz OQSNXTXRVVCMTI-CYBMUJFWSA-N 2 1 336.461 1.793 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000264572213 443331847 /nfs/dbraw/zinc/33/18/47/443331847.db2.gz SKAVWKZZHVBHNK-GOSISDBHSA-N 2 1 331.460 1.733 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418588290 319506938 /nfs/dbraw/zinc/50/69/38/319506938.db2.gz HRWZWIQOPVVXFS-FUHWJXTLSA-N 2 1 330.476 1.820 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000269671390 443388763 /nfs/dbraw/zinc/38/87/63/443388763.db2.gz OXYIJFZSRASOCV-WQVCFCJDSA-N 2 1 332.448 1.448 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000269671390 443388767 /nfs/dbraw/zinc/38/87/67/443388767.db2.gz OXYIJFZSRASOCV-WQVCFCJDSA-N 2 1 332.448 1.448 20 0 EDADMP Cc1ccc([C@H](O)C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000278505721 443350154 /nfs/dbraw/zinc/35/01/54/443350154.db2.gz OVJMLCSLVVTWCJ-GOSISDBHSA-N 2 1 341.459 1.360 20 0 EDADMP Cn1cc[nH+]c1N1CCN(CC(=O)N2CCc3ccccc3C2)CC1 ZINC000269728348 443413618 /nfs/dbraw/zinc/41/36/18/443413618.db2.gz WVUUMIQLQDSPFP-UHFFFAOYSA-N 2 1 339.443 1.127 20 0 EDADMP O=C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420396619 319615495 /nfs/dbraw/zinc/61/54/95/319615495.db2.gz LZTAFUPWFRQANO-KDURUIRLSA-N 2 1 342.487 1.157 20 0 EDADMP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000264964604 443493054 /nfs/dbraw/zinc/49/30/54/443493054.db2.gz AZLNORUEFOZOEC-QGZVFWFLSA-N 2 1 346.475 1.791 20 0 EDADMP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC000264964604 443493057 /nfs/dbraw/zinc/49/30/57/443493057.db2.gz AZLNORUEFOZOEC-QGZVFWFLSA-N 2 1 346.475 1.791 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000264949794 443488003 /nfs/dbraw/zinc/48/80/03/443488003.db2.gz JTMHLSYIAYWCSR-UHFFFAOYSA-N 2 1 331.460 1.937 20 0 EDADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000422958288 319742399 /nfs/dbraw/zinc/74/23/99/319742399.db2.gz OZPWVRPLRQTOLE-UHFFFAOYSA-N 2 1 336.867 1.330 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000423831691 319820212 /nfs/dbraw/zinc/82/02/12/319820212.db2.gz FRYBOHQOSRZFLV-SFHVURJKSA-N 2 1 349.475 1.654 20 0 EDADMP O=C(NCCN1CCc2sccc2C1)N1CCN(C2CCC2)CC1 ZINC000264980729 443498263 /nfs/dbraw/zinc/49/82/63/443498263.db2.gz FMMUXIWSTAMQQH-UHFFFAOYSA-N 2 1 348.516 1.986 20 0 EDADMP COc1ccc([C@H]2CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000283373011 443615487 /nfs/dbraw/zinc/61/54/87/443615487.db2.gz CJIYHSYCYHOSAH-KRWDZBQOSA-N 2 1 331.460 1.649 20 0 EDADMP COc1ccc([C@H]2CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000283373011 443615490 /nfs/dbraw/zinc/61/54/90/443615490.db2.gz CJIYHSYCYHOSAH-KRWDZBQOSA-N 2 1 331.460 1.649 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1)[NH+]1CCCCC1 ZINC000444358749 320127815 /nfs/dbraw/zinc/12/78/15/320127815.db2.gz ARNLTMAQJUMUIG-AEFFLSMTSA-N 2 1 339.524 1.801 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000286202087 443666845 /nfs/dbraw/zinc/66/68/45/443666845.db2.gz SFAAXRLCBUQBLK-QQTQMKHKSA-N 2 1 345.487 1.780 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000286202087 443666848 /nfs/dbraw/zinc/66/68/48/443666848.db2.gz SFAAXRLCBUQBLK-QQTQMKHKSA-N 2 1 345.487 1.780 20 0 EDADMP COC[C@]1(C)CC[NH+](CCOCC[N@@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451201162 320229929 /nfs/dbraw/zinc/22/99/29/320229929.db2.gz IRUFIXOASBVPQL-QZTJIDSGSA-N 2 1 328.497 1.720 20 0 EDADMP C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C1=CC[N@@H+](C)CC1 ZINC000276239353 443674764 /nfs/dbraw/zinc/67/47/64/443674764.db2.gz YGDDJBQTKCWYHV-CQSZACIVSA-N 2 1 344.459 1.453 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000457615313 320331259 /nfs/dbraw/zinc/33/12/59/320331259.db2.gz XNHODMPWMHEBTI-HNNXBMFYSA-N 2 1 328.501 1.373 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458787252 320341384 /nfs/dbraw/zinc/34/13/84/320341384.db2.gz MNRBNFXMZXMMAA-HZPDHXFCSA-N 2 1 328.501 1.253 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458787252 320341385 /nfs/dbraw/zinc/34/13/85/320341385.db2.gz MNRBNFXMZXMMAA-HZPDHXFCSA-N 2 1 328.501 1.253 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458787252 320341386 /nfs/dbraw/zinc/34/13/86/320341386.db2.gz MNRBNFXMZXMMAA-HZPDHXFCSA-N 2 1 328.501 1.253 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccccc1C[NH+](C)C ZINC000487188691 320356286 /nfs/dbraw/zinc/35/62/86/320356286.db2.gz RRVHOTFMYSXUGS-INIZCTEOSA-N 2 1 332.492 1.504 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1cccnc1 ZINC000491438082 320369781 /nfs/dbraw/zinc/36/97/81/320369781.db2.gz ZHJKKXYQICCLIV-LPADLIQXSA-N 2 1 330.476 1.969 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1cccnc1 ZINC000491438081 320369796 /nfs/dbraw/zinc/36/97/96/320369796.db2.gz ZHJKKXYQICCLIV-HJCTWCACSA-N 2 1 330.476 1.969 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C[C@H]1C ZINC000280706887 443742038 /nfs/dbraw/zinc/74/20/38/443742038.db2.gz IWQJMHDGFDTUHO-BZUAXINKSA-N 2 1 345.443 1.755 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000288171416 443792994 /nfs/dbraw/zinc/79/29/94/443792994.db2.gz MQWAFJWTQOLTFJ-YOEHRIQHSA-N 2 1 334.464 1.003 20 0 EDADMP O=C(CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)NCC(F)F ZINC000280904545 443771193 /nfs/dbraw/zinc/77/11/93/443771193.db2.gz PYDICNIPHAHZTP-HRCADAONSA-N 2 1 337.414 1.868 20 0 EDADMP O=C(C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)NCC(F)F ZINC000280904545 443771196 /nfs/dbraw/zinc/77/11/96/443771196.db2.gz PYDICNIPHAHZTP-HRCADAONSA-N 2 1 337.414 1.868 20 0 EDADMP O=C(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)NCC(F)F ZINC000280904545 443771199 /nfs/dbraw/zinc/77/11/99/443771199.db2.gz PYDICNIPHAHZTP-HRCADAONSA-N 2 1 337.414 1.868 20 0 EDADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[NH+](C)C ZINC000281330128 443881697 /nfs/dbraw/zinc/88/16/97/443881697.db2.gz AKSGJHNGSUKDLL-NSHDSACASA-N 2 1 340.855 1.406 20 0 EDADMP C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000285178074 443884834 /nfs/dbraw/zinc/88/48/34/443884834.db2.gz QDLBZLOBFRPUJZ-HNNXBMFYSA-N 2 1 325.403 1.822 20 0 EDADMP CC(C)OC[C@@H](O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285336217 443946185 /nfs/dbraw/zinc/94/61/85/443946185.db2.gz CHXAXXPSAUAYMW-FQEVSTJZSA-N 2 1 349.519 1.522 20 0 EDADMP C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281629879 443963793 /nfs/dbraw/zinc/96/37/93/443963793.db2.gz FWGIVZBJGUZAGF-UHFFFAOYSA-N 2 1 326.828 1.018 20 0 EDADMP C[N@@H+](CCN1CCOCC1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285439153 443984575 /nfs/dbraw/zinc/98/45/75/443984575.db2.gz LGFIORBWQSUFQC-UHFFFAOYSA-N 2 1 346.519 1.068 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H](O)c3ccc(F)cc3)cn2)CC1 ZINC000277733085 444035247 /nfs/dbraw/zinc/03/52/47/444035247.db2.gz OWDPTYJHSDYKKH-KRWDZBQOSA-N 2 1 345.422 1.191 20 0 EDADMP CN1CC[NH+](CC2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)CC1 ZINC000289186154 444072040 /nfs/dbraw/zinc/07/20/40/444072040.db2.gz AYADILZWSFFPRG-UHFFFAOYSA-N 2 1 336.505 1.306 20 0 EDADMP COC[C@@H]1CCN1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000293621221 444072819 /nfs/dbraw/zinc/07/28/19/444072819.db2.gz QHELCWJNVKQMAX-SFHVURJKSA-N 2 1 331.460 1.360 20 0 EDADMP COC[C@@H]1CC[N@@H+]1CC(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000293621221 444072822 /nfs/dbraw/zinc/07/28/22/444072822.db2.gz QHELCWJNVKQMAX-SFHVURJKSA-N 2 1 331.460 1.360 20 0 EDADMP C[C@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000557241971 321001115 /nfs/dbraw/zinc/00/11/15/321001115.db2.gz SLLYTRMHBXWXLU-WMZOPIPTSA-N 2 1 346.475 1.281 20 0 EDADMP CC1(C)C[NH+](CC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000561316822 321039197 /nfs/dbraw/zinc/03/91/97/321039197.db2.gz GJPRDHGJTZUWKP-KRWDZBQOSA-N 2 1 331.460 1.211 20 0 EDADMP CC1(C)C[NH+](CC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000561316822 321039198 /nfs/dbraw/zinc/03/91/98/321039198.db2.gz GJPRDHGJTZUWKP-KRWDZBQOSA-N 2 1 331.460 1.211 20 0 EDADMP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000563150228 321099451 /nfs/dbraw/zinc/09/94/51/321099451.db2.gz LKUBBHAXAZUNEG-IYBDPMFKSA-N 2 1 344.459 1.258 20 0 EDADMP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000299592863 444089824 /nfs/dbraw/zinc/08/98/24/444089824.db2.gz WNZJRUIDGLZOSA-LJQANCHMSA-N 2 1 344.503 1.535 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000564823879 321150366 /nfs/dbraw/zinc/15/03/66/321150366.db2.gz MYFXFKZXFJZLDK-GIYDNNGJSA-N 3 1 347.503 1.749 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000564823879 321150368 /nfs/dbraw/zinc/15/03/68/321150368.db2.gz MYFXFKZXFJZLDK-GIYDNNGJSA-N 3 1 347.503 1.749 20 0 EDADMP [NH3+]C1CCC(OCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567584239 321246805 /nfs/dbraw/zinc/24/68/05/321246805.db2.gz ILWSGHLSARKIQA-LXPRWKDFSA-N 2 1 331.460 1.664 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@H]1CCCCC[NH2+]1)[NH+]1CCOCC1 ZINC000570572596 321348842 /nfs/dbraw/zinc/34/88/42/321348842.db2.gz BTQOSXNXIDISHA-IAGOWNOFSA-N 2 1 325.497 1.772 20 0 EDADMP C[C@@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000570941239 321365282 /nfs/dbraw/zinc/36/52/82/321365282.db2.gz TXQTXNKXXBXMNV-HJZRJOMTSA-N 2 1 344.503 1.655 20 0 EDADMP Cc1ccsc1CNC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289546444 444168951 /nfs/dbraw/zinc/16/89/51/444168951.db2.gz WZCDHSGEFDTVNR-UHFFFAOYSA-N 2 1 340.537 1.488 20 0 EDADMP Cc1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cn2ccnc12 ZINC000297017336 444268396 /nfs/dbraw/zinc/26/83/96/444268396.db2.gz QDCSJHAPTPGYNH-AWEZNQCLSA-N 2 1 345.447 1.952 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(N2CCCC[C@@H]2CO)ncn1 ZINC000302889203 444230046 /nfs/dbraw/zinc/23/00/46/444230046.db2.gz NCFQAAAYSFVTIV-HZPDHXFCSA-N 2 1 333.480 1.606 20 0 EDADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000577267834 321637988 /nfs/dbraw/zinc/63/79/88/321637988.db2.gz LDHPVOFGUODFES-RTBURBONSA-N 2 1 341.459 1.986 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000290129772 444246365 /nfs/dbraw/zinc/24/63/65/444246365.db2.gz JXPUTALTGGJXQW-DOTOQJQBSA-N 2 1 339.505 1.521 20 0 EDADMP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000290129772 444246367 /nfs/dbraw/zinc/24/63/67/444246367.db2.gz JXPUTALTGGJXQW-DOTOQJQBSA-N 2 1 339.505 1.521 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)NCc2ccc3c[nH+]cn3c2)CC1(C)C ZINC000297602103 444307312 /nfs/dbraw/zinc/30/73/12/444307312.db2.gz DTKHYIVRWOUZGZ-UHFFFAOYSA-N 2 1 344.463 1.160 20 0 EDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000323562056 444343872 /nfs/dbraw/zinc/34/38/72/444343872.db2.gz QVFMUDXENFWFIC-JKIFEVAISA-N 2 1 339.505 1.928 20 0 EDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000323562056 444343874 /nfs/dbraw/zinc/34/38/74/444343874.db2.gz QVFMUDXENFWFIC-JKIFEVAISA-N 2 1 339.505 1.928 20 0 EDADMP COC(=O)c1sccc1NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000324015798 444349352 /nfs/dbraw/zinc/34/93/52/444349352.db2.gz OYJZRTAPXOSKAT-TXEJJXNPSA-N 2 1 337.445 1.405 20 0 EDADMP COC(=O)c1sccc1NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000324015798 444349354 /nfs/dbraw/zinc/34/93/54/444349354.db2.gz OYJZRTAPXOSKAT-TXEJJXNPSA-N 2 1 337.445 1.405 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000578489272 321781879 /nfs/dbraw/zinc/78/18/79/321781879.db2.gz PFVAKOOCODYUPS-UAGQMJEPSA-N 2 1 338.496 1.399 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000327526549 444382899 /nfs/dbraw/zinc/38/28/99/444382899.db2.gz IYDJLHOLWFEYOR-YTQUADARSA-N 2 1 346.519 1.711 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC000580159978 322015485 /nfs/dbraw/zinc/01/54/85/322015485.db2.gz NBBZPVKKOVVZHX-JKSUJKDBSA-N 2 1 337.427 1.971 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)N1CC[NH+](C)CC1 ZINC000580560207 322067884 /nfs/dbraw/zinc/06/78/84/322067884.db2.gz UDMMKTWVYUINGO-QGZVFWFLSA-N 2 1 339.528 1.029 20 0 EDADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000580725324 322088237 /nfs/dbraw/zinc/08/82/37/322088237.db2.gz ARNYBBBWWDSULR-DLBZAZTESA-N 2 1 330.476 1.948 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)[C@@H]2CCC[C@@H]21 ZINC000580908333 322111233 /nfs/dbraw/zinc/11/12/33/322111233.db2.gz IOONCURCKOEPJN-ULQDDVLXSA-N 2 1 334.485 1.979 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581235756 322152127 /nfs/dbraw/zinc/15/21/27/322152127.db2.gz IDLWEGHSQLUMKC-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581235756 322152128 /nfs/dbraw/zinc/15/21/28/322152128.db2.gz IDLWEGHSQLUMKC-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581235756 322152129 /nfs/dbraw/zinc/15/21/29/322152129.db2.gz IDLWEGHSQLUMKC-OWCLPIDISA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)[C@@H](C)C[N@H+]1CCO ZINC000581241361 322153212 /nfs/dbraw/zinc/15/32/12/322153212.db2.gz JQYRYLFFNNIWME-CABCVRRESA-N 2 1 338.496 1.100 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)Cc1cccc(Cl)c1 ZINC000581310979 322162433 /nfs/dbraw/zinc/16/24/33/322162433.db2.gz WCFAAFKOJMTVLQ-IRXDYDNUSA-N 2 1 326.868 1.680 20 0 EDADMP COc1cc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)ccc1OCC[NH+](C)C ZINC000581616844 322200577 /nfs/dbraw/zinc/20/05/77/322200577.db2.gz ZZVFDYVLNDVKBQ-OAHLLOKOSA-N 2 1 349.475 1.594 20 0 EDADMP Cc1cccc(OC[C@H](O)C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000581998748 322242438 /nfs/dbraw/zinc/24/24/38/322242438.db2.gz VOYHZHAKEYPQIA-QGZVFWFLSA-N 2 1 335.492 1.350 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCCCOC3CCCCC3)C[C@@H]21 ZINC000342150162 444535878 /nfs/dbraw/zinc/53/58/78/444535878.db2.gz XDUCQENRFDIXJB-BPQIPLTHSA-N 2 1 337.508 1.901 20 0 EDADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000329294849 444524364 /nfs/dbraw/zinc/52/43/64/444524364.db2.gz SFNRHGUIATWBAI-FVQBIDKESA-N 2 1 333.480 1.378 20 0 EDADMP Cc1ccc2nc(C[NH2+]CCCCN3CC[NH+](CCO)CC3)cn2c1 ZINC000341005922 444627273 /nfs/dbraw/zinc/62/72/73/444627273.db2.gz GCZOQUBTESCJCU-UHFFFAOYSA-N 2 1 345.491 1.122 20 0 EDADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000342260954 444595994 /nfs/dbraw/zinc/59/59/94/444595994.db2.gz QBDHUKABDBYINT-MSOLQXFVSA-N 2 1 333.476 1.327 20 0 EDADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000342260954 444595999 /nfs/dbraw/zinc/59/59/99/444595999.db2.gz QBDHUKABDBYINT-MSOLQXFVSA-N 2 1 333.476 1.327 20 0 EDADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000342260954 444596002 /nfs/dbraw/zinc/59/60/02/444596002.db2.gz QBDHUKABDBYINT-MSOLQXFVSA-N 2 1 333.476 1.327 20 0 EDADMP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000342277570 444609041 /nfs/dbraw/zinc/60/90/41/444609041.db2.gz DRRWWCPAGZWZBM-NEWSRXKRSA-N 2 1 343.471 1.583 20 0 EDADMP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000342277570 444609044 /nfs/dbraw/zinc/60/90/44/444609044.db2.gz DRRWWCPAGZWZBM-NEWSRXKRSA-N 2 1 343.471 1.583 20 0 EDADMP COc1ccc(C[C@@H](C)C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000338281988 444609144 /nfs/dbraw/zinc/60/91/44/444609144.db2.gz OGVSSFOOMNIEEN-QGZVFWFLSA-N 2 1 347.503 1.970 20 0 EDADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000338281988 444609147 /nfs/dbraw/zinc/60/91/47/444609147.db2.gz OGVSSFOOMNIEEN-QGZVFWFLSA-N 2 1 347.503 1.970 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)C1 ZINC000332997042 444624953 /nfs/dbraw/zinc/62/49/53/444624953.db2.gz DVKRSUXOJDMUEP-VYDXJSESSA-N 2 1 349.479 1.671 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000334001491 444742873 /nfs/dbraw/zinc/74/28/73/444742873.db2.gz RWEBVZPJSUDIQS-KLHDSHLOSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C[C@H](C)[N@@H+]1CCO ZINC000334013545 444747695 /nfs/dbraw/zinc/74/76/95/444747695.db2.gz XCLSUUBOVHRNCH-UXLLHSPISA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C[C@H](C)[NH+]1CCO ZINC000334013545 444747700 /nfs/dbraw/zinc/74/77/00/444747700.db2.gz XCLSUUBOVHRNCH-UXLLHSPISA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C[C@H](C)[NH+]1CCO ZINC000334013545 444747705 /nfs/dbraw/zinc/74/77/05/444747705.db2.gz XCLSUUBOVHRNCH-UXLLHSPISA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H](CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+](C)Cc1ccccc1 ZINC000344061534 444758710 /nfs/dbraw/zinc/75/87/10/444758710.db2.gz PURIFKRWJBANSC-HKUYNNGSSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)[N@H+](C)Cc1ccccc1 ZINC000344061534 444758713 /nfs/dbraw/zinc/75/87/13/444758713.db2.gz PURIFKRWJBANSC-HKUYNNGSSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)[N@@H+](C)Cc1ccccc1 ZINC000344061534 444758719 /nfs/dbraw/zinc/75/87/19/444758719.db2.gz PURIFKRWJBANSC-HKUYNNGSSA-N 2 1 344.503 1.403 20 0 EDADMP CC[C@H]1CN(C(=O)NCCC[NH+](CC)CC)CC[N@H+]1CCOC ZINC000344091827 444776986 /nfs/dbraw/zinc/77/69/86/444776986.db2.gz FBDAHPQXWBRAIN-INIZCTEOSA-N 2 1 328.501 1.471 20 0 EDADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)N1CCCCCC1 ZINC000344123830 444794079 /nfs/dbraw/zinc/79/40/79/444794079.db2.gz GYPGHEVKZHVUFO-UHFFFAOYSA-N 2 1 338.540 1.739 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)N1CCCCCC1 ZINC000344123830 444794081 /nfs/dbraw/zinc/79/40/81/444794081.db2.gz GYPGHEVKZHVUFO-UHFFFAOYSA-N 2 1 338.540 1.739 20 0 EDADMP C[N@@H+](C[C@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000336793782 444797030 /nfs/dbraw/zinc/79/70/30/444797030.db2.gz YIMXZNZKLJHVOS-ZJOUEHCJSA-N 2 1 343.515 1.895 20 0 EDADMP C[NH+](C[C@H](O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000336793782 444797035 /nfs/dbraw/zinc/79/70/35/444797035.db2.gz YIMXZNZKLJHVOS-ZJOUEHCJSA-N 2 1 343.515 1.895 20 0 EDADMP C[NH+](C[C@H](O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000336793782 444797040 /nfs/dbraw/zinc/79/70/40/444797040.db2.gz YIMXZNZKLJHVOS-ZJOUEHCJSA-N 2 1 343.515 1.895 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CCN1CCOC[C@@H]1C ZINC000344131038 444798607 /nfs/dbraw/zinc/79/86/07/444798607.db2.gz NEYYNHJCQJSHEJ-SFHVURJKSA-N 2 1 326.529 1.057 20 0 EDADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000336868785 444812402 /nfs/dbraw/zinc/81/24/02/444812402.db2.gz ZEZQQDWRNYNGCV-UONOGXRCSA-N 2 1 327.494 1.785 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000625541885 450417653 /nfs/dbraw/zinc/41/76/53/450417653.db2.gz GXUMQJXXWHRJNE-ZWKOTPCHSA-N 2 1 331.460 1.122 20 0 EDADMP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000625541885 450417656 /nfs/dbraw/zinc/41/76/56/450417656.db2.gz GXUMQJXXWHRJNE-ZWKOTPCHSA-N 2 1 331.460 1.122 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000342720068 444833956 /nfs/dbraw/zinc/83/39/56/444833956.db2.gz FUKNGGLRWVSJDN-CJNGLKHVSA-N 2 1 349.431 1.299 20 0 EDADMP COCC[NH+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000341524677 444875670 /nfs/dbraw/zinc/87/56/70/444875670.db2.gz AXZRUCPNNDIECH-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342712423 444829155 /nfs/dbraw/zinc/82/91/55/444829155.db2.gz RXLXGKICLQIBDS-AWEZNQCLSA-N 2 1 345.434 1.383 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000342900048 444928680 /nfs/dbraw/zinc/92/86/80/444928680.db2.gz YMYADKJWCSMNDO-AWEZNQCLSA-N 2 1 340.512 1.212 20 0 EDADMP C[C@H](NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1nccn1C ZINC000341690126 444949391 /nfs/dbraw/zinc/94/93/91/444949391.db2.gz AHAHWHDICCSWIT-INIZCTEOSA-N 2 1 328.464 1.678 20 0 EDADMP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000330421094 444975101 /nfs/dbraw/zinc/97/51/01/444975101.db2.gz FXIFJBQVAUXFIJ-CRAIPNDOSA-N 2 1 325.497 1.317 20 0 EDADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2n2ccnn2)CC1 ZINC000344505766 445020716 /nfs/dbraw/zinc/02/07/16/445020716.db2.gz XQGBZQMEWLXGQS-BGTYHANMSA-N 2 1 333.480 1.851 20 0 EDADMP C[N@@H+](CC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@H]1CCSC1 ZINC000344454423 444984160 /nfs/dbraw/zinc/98/41/60/444984160.db2.gz MNRFKTRGMJYHLN-BHYGNILZSA-N 2 1 337.533 1.899 20 0 EDADMP C[NH+](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@H]1CCSC1 ZINC000344454423 444984163 /nfs/dbraw/zinc/98/41/63/444984163.db2.gz MNRFKTRGMJYHLN-BHYGNILZSA-N 2 1 337.533 1.899 20 0 EDADMP C[NH+](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@H]1CCSC1 ZINC000344454423 444984167 /nfs/dbraw/zinc/98/41/67/444984167.db2.gz MNRFKTRGMJYHLN-BHYGNILZSA-N 2 1 337.533 1.899 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](CC)C[C@@H]3C)cc2)CC1 ZINC000341779479 444998038 /nfs/dbraw/zinc/99/80/38/444998038.db2.gz ZWAPOSJKMPLKLJ-KRWDZBQOSA-N 2 1 344.503 1.995 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000343020550 445009708 /nfs/dbraw/zinc/00/97/08/445009708.db2.gz QUFNQHRSVLKFFL-HZPDHXFCSA-N 2 1 340.512 1.214 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000341890626 445056296 /nfs/dbraw/zinc/05/62/96/445056296.db2.gz PUKMKZUFCAFYNB-YJBOKZPZSA-N 2 1 331.460 1.333 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000341890626 445056302 /nfs/dbraw/zinc/05/63/02/445056302.db2.gz PUKMKZUFCAFYNB-YJBOKZPZSA-N 2 1 331.460 1.333 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000330658121 445083361 /nfs/dbraw/zinc/08/33/61/445083361.db2.gz QFJQNCRGXSRNCW-GOEBONIOSA-N 2 1 325.478 1.285 20 0 EDADMP CC[C@H](O)C[N@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339111589 445037444 /nfs/dbraw/zinc/03/74/44/445037444.db2.gz YMMSZSUWGFOKNC-RDBSUJKOSA-N 2 1 325.432 1.162 20 0 EDADMP CC[C@H](O)C[N@@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339111589 445037448 /nfs/dbraw/zinc/03/74/48/445037448.db2.gz YMMSZSUWGFOKNC-RDBSUJKOSA-N 2 1 325.432 1.162 20 0 EDADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc4c(c3)OCO4)C2)C1 ZINC000339435233 445140181 /nfs/dbraw/zinc/14/01/81/445140181.db2.gz AZANSRKBBKOGGM-DNVCBOLYSA-N 2 1 348.443 1.573 20 0 EDADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc4c(c3)OCO4)C2)C1 ZINC000339435233 445140184 /nfs/dbraw/zinc/14/01/84/445140184.db2.gz AZANSRKBBKOGGM-DNVCBOLYSA-N 2 1 348.443 1.573 20 0 EDADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc4c(c3)OCO4)C2)C1 ZINC000339435233 445140189 /nfs/dbraw/zinc/14/01/89/445140189.db2.gz AZANSRKBBKOGGM-DNVCBOLYSA-N 2 1 348.443 1.573 20 0 EDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc4c(c3)OCO4)C2)C1 ZINC000339435233 445140194 /nfs/dbraw/zinc/14/01/94/445140194.db2.gz AZANSRKBBKOGGM-DNVCBOLYSA-N 2 1 348.443 1.573 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccsc1 ZINC000343192213 445126011 /nfs/dbraw/zinc/12/60/11/445126011.db2.gz SWADPKKDGSISFP-KGLIPLIRSA-N 2 1 327.519 1.904 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1 ZINC000342115746 445180857 /nfs/dbraw/zinc/18/08/57/445180857.db2.gz NMUCJXHETFAXCB-FRQCXROJSA-N 2 1 345.487 1.721 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1 ZINC000342115746 445180864 /nfs/dbraw/zinc/18/08/64/445180864.db2.gz NMUCJXHETFAXCB-FRQCXROJSA-N 2 1 345.487 1.721 20 0 EDADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000342115746 445180867 /nfs/dbraw/zinc/18/08/67/445180867.db2.gz NMUCJXHETFAXCB-FRQCXROJSA-N 2 1 345.487 1.721 20 0 EDADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000342115746 445180872 /nfs/dbraw/zinc/18/08/72/445180872.db2.gz NMUCJXHETFAXCB-FRQCXROJSA-N 2 1 345.487 1.721 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000343218192 445145053 /nfs/dbraw/zinc/14/50/53/445145053.db2.gz SDNAJLPKOOEJAQ-IRXDYDNUSA-N 2 1 335.517 1.713 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(C)C ZINC000339496872 445146041 /nfs/dbraw/zinc/14/60/41/445146041.db2.gz FLLOMWZXECOCCE-UHFFFAOYSA-N 2 1 340.512 1.258 20 0 EDADMP Cc1ccc([C@@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)[NH+](C)C)cc1 ZINC000343342100 445205395 /nfs/dbraw/zinc/20/53/95/445205395.db2.gz ULACLOCPPWNIRR-QZTJIDSGSA-N 2 1 330.476 1.104 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000346575233 445218681 /nfs/dbraw/zinc/21/86/81/445218681.db2.gz SHYGBRZJWPLUKW-LPHOPBHVSA-N 2 1 339.524 1.972 20 0 EDADMP CC(C)NC(=O)CC[N@@H+](C)C[C@@H]1CCCN(C)[C@@H]1c1ccnn1C ZINC000346933508 445228314 /nfs/dbraw/zinc/22/83/14/445228314.db2.gz PZJTZNLAXUMGLU-YJBOKZPZSA-N 2 1 335.496 1.650 20 0 EDADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000348530764 445315734 /nfs/dbraw/zinc/31/57/34/445315734.db2.gz BPYGHEPCTMPXAH-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000348530764 445315736 /nfs/dbraw/zinc/31/57/36/445315736.db2.gz BPYGHEPCTMPXAH-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000348530764 445315738 /nfs/dbraw/zinc/31/57/38/445315738.db2.gz BPYGHEPCTMPXAH-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000351687221 445271946 /nfs/dbraw/zinc/27/19/46/445271946.db2.gz VFPJBBAMSCIEMR-INIZCTEOSA-N 2 1 347.459 1.950 20 0 EDADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000354513670 445272950 /nfs/dbraw/zinc/27/29/50/445272950.db2.gz RUGLVSGRIYWFEQ-WMZOPIPTSA-N 2 1 339.524 1.802 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1)C(C)C ZINC000343682879 445300978 /nfs/dbraw/zinc/30/09/78/445300978.db2.gz HFDZIPGPGXICFJ-MRXNPFEDSA-N 2 1 340.512 1.214 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000351838831 445339275 /nfs/dbraw/zinc/33/92/75/445339275.db2.gz KOPNVBPEFQPFEZ-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000351838831 445339277 /nfs/dbraw/zinc/33/92/77/445339277.db2.gz KOPNVBPEFQPFEZ-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)NC1CC[NH+](C2CC2)CC1 ZINC000348294085 445341219 /nfs/dbraw/zinc/34/12/19/445341219.db2.gz SMYOYLJMTXAQGV-SFHVURJKSA-N 2 1 328.460 1.962 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]1c1ccncc1)NC1CC[NH+](C2CC2)CC1 ZINC000348294085 445341222 /nfs/dbraw/zinc/34/12/22/445341222.db2.gz SMYOYLJMTXAQGV-SFHVURJKSA-N 2 1 328.460 1.962 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000351862496 445346690 /nfs/dbraw/zinc/34/66/90/445346690.db2.gz POMGNBGQCPGNNB-KGLIPLIRSA-N 2 1 326.444 1.722 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000351862496 445346692 /nfs/dbraw/zinc/34/66/92/445346692.db2.gz POMGNBGQCPGNNB-KGLIPLIRSA-N 2 1 326.444 1.722 20 0 EDADMP O[C@@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000351903146 445365605 /nfs/dbraw/zinc/36/56/05/445365605.db2.gz KUODGLBYKDAURQ-JKSUJKDBSA-N 2 1 348.443 1.573 20 0 EDADMP O[C@@H](COc1ccc2c(c1)OCO2)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000351903146 445365608 /nfs/dbraw/zinc/36/56/08/445365608.db2.gz KUODGLBYKDAURQ-JKSUJKDBSA-N 2 1 348.443 1.573 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000362495094 445411518 /nfs/dbraw/zinc/41/15/18/445411518.db2.gz VACGIUVICYQTBZ-YCPHGPKFSA-N 2 1 328.526 1.452 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cn2)CC1 ZINC000357050372 445395606 /nfs/dbraw/zinc/39/56/06/445395606.db2.gz MKLBDLNXBSXLKM-SFHVURJKSA-N 3 1 344.507 1.050 20 0 EDADMP Cc1noc(C)c1C[NH2+]C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354935932 445434760 /nfs/dbraw/zinc/43/47/60/445434760.db2.gz SYNREWJAASPNBO-ZIAGYGMSSA-N 2 1 348.426 1.854 20 0 EDADMP C[C@@H]1C[N@@H+](CCCOCC(F)(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362701865 445507556 /nfs/dbraw/zinc/50/75/56/445507556.db2.gz LACYAACQLOIUOL-HUUCEWRRSA-N 2 1 337.430 1.913 20 0 EDADMP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000352116270 445502911 /nfs/dbraw/zinc/50/29/11/445502911.db2.gz UPQSNQGNNVKWHY-URLQWDBASA-N 2 1 338.492 1.885 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000352116270 445502916 /nfs/dbraw/zinc/50/29/16/445502916.db2.gz UPQSNQGNNVKWHY-URLQWDBASA-N 2 1 338.492 1.885 20 0 EDADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000352116270 445502918 /nfs/dbraw/zinc/50/29/18/445502918.db2.gz UPQSNQGNNVKWHY-URLQWDBASA-N 2 1 338.492 1.885 20 0 EDADMP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000352116270 445502923 /nfs/dbraw/zinc/50/29/23/445502923.db2.gz UPQSNQGNNVKWHY-URLQWDBASA-N 2 1 338.492 1.885 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000355978128 445554171 /nfs/dbraw/zinc/55/41/71/445554171.db2.gz CADUIGARZMMNJT-OAHLLOKOSA-N 2 1 346.479 1.929 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000352848527 445559292 /nfs/dbraw/zinc/55/92/92/445559292.db2.gz WENPKWIGOVODLL-MRXNPFEDSA-N 2 1 332.448 1.331 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357575404 445568076 /nfs/dbraw/zinc/56/80/76/445568076.db2.gz WQLFZFQBSQMMCS-YVSFHVDLSA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357575404 445568079 /nfs/dbraw/zinc/56/80/79/445568079.db2.gz WQLFZFQBSQMMCS-YVSFHVDLSA-N 2 1 325.497 1.673 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000360163334 445604855 /nfs/dbraw/zinc/60/48/55/445604855.db2.gz OSFSIQRNCZSNEV-JKSUJKDBSA-N 2 1 340.512 1.023 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000360163334 445604858 /nfs/dbraw/zinc/60/48/58/445604858.db2.gz OSFSIQRNCZSNEV-JKSUJKDBSA-N 2 1 340.512 1.023 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000360163334 445604863 /nfs/dbraw/zinc/60/48/63/445604863.db2.gz OSFSIQRNCZSNEV-JKSUJKDBSA-N 2 1 340.512 1.023 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000358150355 445608475 /nfs/dbraw/zinc/60/84/75/445608475.db2.gz ZXKVMOXLSXRABW-XHSDSOJGSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000362986398 445639394 /nfs/dbraw/zinc/63/93/94/445639394.db2.gz KLWVVPITKNAKSI-RHSMWYFYSA-N 2 1 331.460 1.780 20 0 EDADMP CSC1(CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC[NH+](C)CC1 ZINC000357910703 445592133 /nfs/dbraw/zinc/59/21/33/445592133.db2.gz CGRYYXPPHPMXOH-AWEZNQCLSA-N 2 1 340.537 1.763 20 0 EDADMP C[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)[N@H+]1CCC[C@@H](C)C1 ZINC000360248143 445654895 /nfs/dbraw/zinc/65/48/95/445654895.db2.gz GECHXGAIIIFTBC-HLLBOEOZSA-N 2 1 342.553 1.843 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000349807552 445685510 /nfs/dbraw/zinc/68/55/10/445685510.db2.gz OTCVZRKUPBKQAK-UHFFFAOYSA-N 2 1 340.512 1.615 20 0 EDADMP O=C(C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)NCC[NH+]1CCCCCC1 ZINC000353666874 445699793 /nfs/dbraw/zinc/69/97/93/445699793.db2.gz AAJYBCSTSVIPRE-UHFFFAOYSA-N 2 1 345.447 1.752 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC[NH+]1CCCC1 ZINC000353681484 445704746 /nfs/dbraw/zinc/70/47/46/445704746.db2.gz CVDZYDUZRYOMGZ-UHFFFAOYSA-N 2 1 330.436 1.438 20 0 EDADMP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000353683659 445705600 /nfs/dbraw/zinc/70/56/00/445705600.db2.gz ZMOVIIBFCKZLSF-MOPGFXCFSA-N 2 1 343.475 1.803 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000349915983 445720873 /nfs/dbraw/zinc/72/08/73/445720873.db2.gz NXJGWOVWBYLKEQ-RDJZCZTQSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000349915983 445720875 /nfs/dbraw/zinc/72/08/75/445720875.db2.gz NXJGWOVWBYLKEQ-RDJZCZTQSA-N 2 1 338.496 1.413 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000349915983 445720879 /nfs/dbraw/zinc/72/08/79/445720879.db2.gz NXJGWOVWBYLKEQ-RDJZCZTQSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000356282988 445716482 /nfs/dbraw/zinc/71/64/82/445716482.db2.gz RBHHNAZYEQVSEA-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000356282988 445716484 /nfs/dbraw/zinc/71/64/84/445716484.db2.gz RBHHNAZYEQVSEA-OWCLPIDISA-N 2 1 340.512 1.610 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000363083754 445671024 /nfs/dbraw/zinc/67/10/24/445671024.db2.gz AROYNZYEVYWFML-ZWKOTPCHSA-N 2 1 346.475 1.411 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@]2(O)CC[NH+](C)C2)c1 ZINC000358721816 445742161 /nfs/dbraw/zinc/74/21/61/445742161.db2.gz NSPPBUFRZXWHEA-GOSISDBHSA-N 2 1 334.464 1.004 20 0 EDADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCn3cccn3)CC2)C[C@H](C)O1 ZINC000358868575 445821233 /nfs/dbraw/zinc/82/12/33/445821233.db2.gz ZDLATOBJXPULRT-IRXDYDNUSA-N 2 1 336.480 1.473 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C(N)=O)CCCC2)[C@H](C)C1 ZINC000361494077 445787182 /nfs/dbraw/zinc/78/71/82/445787182.db2.gz WLFNXRBXPUDBRU-HZPDHXFCSA-N 2 1 325.497 1.759 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000350225016 445795552 /nfs/dbraw/zinc/79/55/52/445795552.db2.gz UKULAYADQVQSRG-SJORKVTESA-N 2 1 325.497 1.678 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000353887477 445798761 /nfs/dbraw/zinc/79/87/61/445798761.db2.gz JMTOEEXJFHRMEK-CABCVRRESA-N 2 1 347.463 1.405 20 0 EDADMP CCc1cnccc1CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000353981958 445838750 /nfs/dbraw/zinc/83/87/50/445838750.db2.gz HMOLRZSGOWGKDU-UHFFFAOYSA-N 2 1 347.507 1.811 20 0 EDADMP CCc1cnccc1CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000353981958 445838752 /nfs/dbraw/zinc/83/87/52/445838752.db2.gz HMOLRZSGOWGKDU-UHFFFAOYSA-N 2 1 347.507 1.811 20 0 EDADMP CC[C@@]1(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000363511311 445838829 /nfs/dbraw/zinc/83/88/29/445838829.db2.gz JVENRCDDESCGSO-FXAWDEMLSA-N 2 1 344.503 1.703 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)/C=C/C[NH+](C)C)[C@@H](C)C2)s1 ZINC000363550647 445855874 /nfs/dbraw/zinc/85/58/74/445855874.db2.gz DXNBHRKQRUFDCO-PXONKACGSA-N 2 1 336.505 1.896 20 0 EDADMP COCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CC[C@@H](C)C1 ZINC000361632675 445858541 /nfs/dbraw/zinc/85/85/41/445858541.db2.gz UFAFDSAXEZBSOZ-SJLPKXTDSA-N 2 1 347.507 1.865 20 0 EDADMP COCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CC[C@@H](C)C1 ZINC000361632675 445858545 /nfs/dbraw/zinc/85/85/45/445858545.db2.gz UFAFDSAXEZBSOZ-SJLPKXTDSA-N 2 1 347.507 1.865 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C ZINC000361674575 445872203 /nfs/dbraw/zinc/87/22/03/445872203.db2.gz GHWWOXZFWUXVBF-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C ZINC000361674575 445872209 /nfs/dbraw/zinc/87/22/09/445872209.db2.gz GHWWOXZFWUXVBF-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000351053522 445979051 /nfs/dbraw/zinc/97/90/51/445979051.db2.gz RFISNMCTTLAVGP-UHFFFAOYSA-N 2 1 337.508 1.823 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000351053522 445979057 /nfs/dbraw/zinc/97/90/57/445979057.db2.gz RFISNMCTTLAVGP-UHFFFAOYSA-N 2 1 337.508 1.823 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000359214339 446042912 /nfs/dbraw/zinc/04/29/12/446042912.db2.gz AGXPPFSZEVQMJK-DOTOQJQBSA-N 2 1 334.439 1.964 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000369238786 446014219 /nfs/dbraw/zinc/01/42/19/446014219.db2.gz SHTNGBYRILXBCL-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000369238786 446014225 /nfs/dbraw/zinc/01/42/25/446014225.db2.gz SHTNGBYRILXBCL-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[NH+](CC)CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000369238786 446014231 /nfs/dbraw/zinc/01/42/31/446014231.db2.gz SHTNGBYRILXBCL-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365085340 446014406 /nfs/dbraw/zinc/01/44/06/446014406.db2.gz DOCKERNMPQNDQF-SJORKVTESA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000583263306 326037986 /nfs/dbraw/zinc/03/79/86/326037986.db2.gz RHSZOKWDWJQWAE-CABCVRRESA-N 2 1 334.464 1.809 20 0 EDADMP CCOC[C@H](O)C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000583316965 326048186 /nfs/dbraw/zinc/04/81/86/326048186.db2.gz GAVFUPXSAIDEGG-MOPGFXCFSA-N 2 1 335.492 1.352 20 0 EDADMP C[NH2+]CCc1ccccc1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000583567915 326097863 /nfs/dbraw/zinc/09/78/63/326097863.db2.gz PVIDIESTPPBHTO-UHFFFAOYSA-N 2 1 332.492 1.206 20 0 EDADMP CC[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH+]1CCOCC1 ZINC000354273365 446069840 /nfs/dbraw/zinc/06/98/40/446069840.db2.gz LGFKSZUDVBGLMO-KZNAEPCWSA-N 2 1 337.508 1.820 20 0 EDADMP CC[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@H+]2C)C[C@H]1[NH+]1CCOCC1 ZINC000354273365 446069844 /nfs/dbraw/zinc/06/98/44/446069844.db2.gz LGFKSZUDVBGLMO-KZNAEPCWSA-N 2 1 337.508 1.820 20 0 EDADMP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351487584 446088460 /nfs/dbraw/zinc/08/84/60/446088460.db2.gz COQPDNSIVNTKDY-OTRWWLKZSA-N 2 1 331.460 1.884 20 0 EDADMP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351487584 446088464 /nfs/dbraw/zinc/08/84/64/446088464.db2.gz COQPDNSIVNTKDY-OTRWWLKZSA-N 2 1 331.460 1.884 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351498352 446102666 /nfs/dbraw/zinc/10/26/66/446102666.db2.gz VNEVGZXCLXEKKL-NVNVUAJTSA-N 2 1 337.414 1.681 20 0 EDADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351498352 446102669 /nfs/dbraw/zinc/10/26/69/446102669.db2.gz VNEVGZXCLXEKKL-NVNVUAJTSA-N 2 1 337.414 1.681 20 0 EDADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCc3ccccc3F)C2)CC1 ZINC000365258986 446106971 /nfs/dbraw/zinc/10/69/71/446106971.db2.gz ISFJYNWLTKOFDO-MRXNPFEDSA-N 2 1 348.466 1.836 20 0 EDADMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)NC1CC([NH+]2CCCCC2)C1 ZINC000366339649 446162752 /nfs/dbraw/zinc/16/27/52/446162752.db2.gz OJBOZMHHPGMKQV-FHERZECASA-N 2 1 331.464 1.762 20 0 EDADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359368361 446177225 /nfs/dbraw/zinc/17/72/25/446177225.db2.gz SEOJHXUPSNBVET-IAGOWNOFSA-N 2 1 328.460 1.797 20 0 EDADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359368361 446177228 /nfs/dbraw/zinc/17/72/28/446177228.db2.gz SEOJHXUPSNBVET-IAGOWNOFSA-N 2 1 328.460 1.797 20 0 EDADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359368361 446177231 /nfs/dbraw/zinc/17/72/31/446177231.db2.gz SEOJHXUPSNBVET-IAGOWNOFSA-N 2 1 328.460 1.797 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCCC(=O)NC(N)=O ZINC000370169456 446186475 /nfs/dbraw/zinc/18/64/75/446186475.db2.gz PREQRSTVCVZEKX-NVXWUHKLSA-N 2 1 346.475 1.804 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCCC(=O)NC(N)=O ZINC000370169456 446186478 /nfs/dbraw/zinc/18/64/78/446186478.db2.gz PREQRSTVCVZEKX-NVXWUHKLSA-N 2 1 346.475 1.804 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCCC(=O)NC(N)=O ZINC000370169456 446186482 /nfs/dbraw/zinc/18/64/82/446186482.db2.gz PREQRSTVCVZEKX-NVXWUHKLSA-N 2 1 346.475 1.804 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCCC(=O)NC(N)=O ZINC000370169456 446186485 /nfs/dbraw/zinc/18/64/85/446186485.db2.gz PREQRSTVCVZEKX-NVXWUHKLSA-N 2 1 346.475 1.804 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369683113 446145720 /nfs/dbraw/zinc/14/57/20/446145720.db2.gz IYJLDSADZXEPHN-CQSZACIVSA-N 2 1 336.484 2.002 20 0 EDADMP CC[N@@H+](CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CC1 ZINC000369681034 446146070 /nfs/dbraw/zinc/14/60/70/446146070.db2.gz HDPPUSRIXVCXSS-UHFFFAOYSA-N 2 1 334.468 1.756 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)CC1 ZINC000366327726 446154340 /nfs/dbraw/zinc/15/43/40/446154340.db2.gz SVVOWDUVCRBFJA-MSOLQXFVSA-N 3 1 336.524 1.426 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC000365483091 446227523 /nfs/dbraw/zinc/22/75/23/446227523.db2.gz JBPMSGZOGZCJOK-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CCC[NH+]1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000365483091 446227527 /nfs/dbraw/zinc/22/75/27/446227527.db2.gz JBPMSGZOGZCJOK-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CCC[NH+]1CCCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000365483091 446227530 /nfs/dbraw/zinc/22/75/30/446227530.db2.gz JBPMSGZOGZCJOK-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000366488840 446235006 /nfs/dbraw/zinc/23/50/06/446235006.db2.gz KACBVAUGESJGID-QGZVFWFLSA-N 2 1 337.508 1.724 20 0 EDADMP COCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CC[C@@H](C)C1 ZINC000362151048 446238011 /nfs/dbraw/zinc/23/80/11/446238011.db2.gz RKHVSVIEVLAUEC-CRAIPNDOSA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3Cc4ccccc4[C@@H]3O)C2)CC1 ZINC000362238501 446279844 /nfs/dbraw/zinc/27/98/44/446279844.db2.gz QUTHGTIROIDOES-HOJAQTOUSA-N 2 1 329.488 1.745 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N1CC[C@H]([NH3+])[C@H]1C)c1ccccc1 ZINC000417490037 446354473 /nfs/dbraw/zinc/35/44/73/446354473.db2.gz GKNCKUWFSJCYMT-NJAFHUGGSA-N 2 1 348.491 1.827 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@H]1C)c1ccccc1 ZINC000417490038 446355248 /nfs/dbraw/zinc/35/52/48/446355248.db2.gz GKNCKUWFSJCYMT-NXHRZFHOSA-N 2 1 348.491 1.827 20 0 EDADMP COC(=O)[C@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC1(C)C ZINC000374324336 446362778 /nfs/dbraw/zinc/36/27/78/446362778.db2.gz KGLJZJUYWYLKHW-MRXNPFEDSA-N 2 1 325.497 1.534 20 0 EDADMP C[C@@H](CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000417809318 446374383 /nfs/dbraw/zinc/37/43/83/446374383.db2.gz HDAUCXJLZHVFHZ-RYQLBKOJSA-N 2 1 330.476 1.758 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)NCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417951433 446396717 /nfs/dbraw/zinc/39/67/17/446396717.db2.gz NEFZAKGDPQEMJE-BXUZGUMPSA-N 2 1 328.819 1.730 20 0 EDADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N[C@@H](CC[NH3+])C(F)F)cc[nH+]1 ZINC000420264735 446439154 /nfs/dbraw/zinc/43/91/54/446439154.db2.gz PADHVVKRUMZGMJ-DYEKYZERSA-N 2 1 343.422 2.487 20 0 EDADMP C[N@@H+](C[C@H](O)CN1CCCC1=O)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374834962 446412893 /nfs/dbraw/zinc/41/28/93/446412893.db2.gz BTYXUFJYESRGLG-SFHVURJKSA-N 2 1 346.475 1.213 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418007767 446413350 /nfs/dbraw/zinc/41/33/50/446413350.db2.gz GOKUKAWGRNZHFH-KONPQCLYSA-N 2 1 330.476 1.899 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000418009950 446414450 /nfs/dbraw/zinc/41/44/50/446414450.db2.gz IWGOQGMFWNANAJ-NXHRZFHOSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418017814 446417454 /nfs/dbraw/zinc/41/74/54/446417454.db2.gz UDTSIONBESNKNB-DDBAPUKQSA-N 2 1 328.460 1.510 20 0 EDADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000370757461 446418570 /nfs/dbraw/zinc/41/85/70/446418570.db2.gz LRMTYUIQTSMNRI-QRVBRYPASA-N 2 1 345.487 1.906 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)NCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000370767701 446425275 /nfs/dbraw/zinc/42/52/75/446425275.db2.gz VQMKYEDYBDRNMC-MJGOQNOKSA-N 2 1 332.492 1.609 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000420305766 446467598 /nfs/dbraw/zinc/46/75/98/446467598.db2.gz ZKSURNLGYPQNAM-LBPRGKRZSA-N 2 1 347.394 1.163 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000420305766 446467605 /nfs/dbraw/zinc/46/76/05/446467605.db2.gz ZKSURNLGYPQNAM-LBPRGKRZSA-N 2 1 347.394 1.163 20 0 EDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000423271538 446469853 /nfs/dbraw/zinc/46/98/53/446469853.db2.gz XXSSFCZLLPJOST-WCQYABFASA-N 2 1 330.270 1.962 20 0 EDADMP Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CCC[NH3+])C2)cc1 ZINC000420310896 446473272 /nfs/dbraw/zinc/47/32/72/446473272.db2.gz VIGKWFAGUODFJO-OAHLLOKOSA-N 2 1 325.478 1.334 20 0 EDADMP Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CCC[NH3+])C2)cc1 ZINC000420310896 446473282 /nfs/dbraw/zinc/47/32/82/446473282.db2.gz VIGKWFAGUODFJO-OAHLLOKOSA-N 2 1 325.478 1.334 20 0 EDADMP COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420320331 446485984 /nfs/dbraw/zinc/48/59/84/446485984.db2.gz BIQQLLBNHILTQA-OAHLLOKOSA-N 2 1 347.459 1.711 20 0 EDADMP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323105 446489550 /nfs/dbraw/zinc/48/95/50/446489550.db2.gz FRZYXNKYZYDXHY-JZXOWHBKSA-N 2 1 345.487 1.940 20 0 EDADMP C[C@@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000423329012 446489974 /nfs/dbraw/zinc/48/99/74/446489974.db2.gz MOXZKQBPKJSGGD-OWCLPIDISA-N 2 1 347.507 1.737 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCS(=O)(=O)N(C)C)CC1 ZINC000367061532 446496050 /nfs/dbraw/zinc/49/60/50/446496050.db2.gz HAWSEODCTOISTB-MRXNPFEDSA-N 2 1 345.553 1.854 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCCC2)CC12CCOCC2 ZINC000420327212 446496143 /nfs/dbraw/zinc/49/61/43/446496143.db2.gz LASLEOJCCAKIBL-OAHLLOKOSA-N 2 1 335.492 1.607 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418330248 446501825 /nfs/dbraw/zinc/50/18/25/446501825.db2.gz QDQOBEUHPVXCCV-QGZVFWFLSA-N 2 1 333.480 1.687 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418341463 446507383 /nfs/dbraw/zinc/50/73/83/446507383.db2.gz OVEDQEZYHPDMHN-SJORKVTESA-N 3 1 339.528 1.044 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000423377368 446509297 /nfs/dbraw/zinc/50/92/97/446509297.db2.gz BOGBBYRHFQMLMU-AJNGGQMLSA-N 3 1 334.430 1.285 20 0 EDADMP C[N@@H+]1CC[C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000423377368 446509302 /nfs/dbraw/zinc/50/93/02/446509302.db2.gz BOGBBYRHFQMLMU-AJNGGQMLSA-N 2 1 334.430 1.285 20 0 EDADMP C[N@H+]1CC[C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000423377368 446509307 /nfs/dbraw/zinc/50/93/07/446509307.db2.gz BOGBBYRHFQMLMU-AJNGGQMLSA-N 2 1 334.430 1.285 20 0 EDADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000420340664 446511990 /nfs/dbraw/zinc/51/19/90/446511990.db2.gz NCWLDGKXUBSEIV-CABCVRRESA-N 2 1 347.459 1.964 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343872 446514569 /nfs/dbraw/zinc/51/45/69/446514569.db2.gz RQCKBHQNDOVLKA-BMFZPTHFSA-N 2 1 344.459 1.434 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423357569 446497897 /nfs/dbraw/zinc/49/78/97/446497897.db2.gz IKQYGIYIZJDMDY-QLFBSQMISA-N 2 1 333.480 1.727 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc2c(c1)OCO2 ZINC000420331467 446500304 /nfs/dbraw/zinc/50/03/04/446500304.db2.gz CAASRIGPOWKYLP-KBPBESRZSA-N 2 1 331.416 1.675 20 0 EDADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420386370 446561024 /nfs/dbraw/zinc/56/10/24/446561024.db2.gz IGDDQTQWZSDRJC-BBWFWOEESA-N 2 1 337.508 1.580 20 0 EDADMP C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)C1CC1 ZINC000420385460 446561188 /nfs/dbraw/zinc/56/11/88/446561188.db2.gz GWVCQRHCAMUELC-QGTPRVQTSA-N 2 1 347.503 1.476 20 0 EDADMP Fc1ccc(OCC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000420345281 446517815 /nfs/dbraw/zinc/51/78/15/446517815.db2.gz AJVDXPVQRRQVHP-AWEZNQCLSA-N 2 1 327.831 1.837 20 0 EDADMP [NH3+]C1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000418389346 446524514 /nfs/dbraw/zinc/52/45/14/446524514.db2.gz RNXPNRUOFDAAAG-HIEASXQVSA-N 2 1 346.475 1.191 20 0 EDADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420348436 446525549 /nfs/dbraw/zinc/52/55/49/446525549.db2.gz LPXHLAQIUZBPOD-YJBOKZPZSA-N 2 1 330.476 1.556 20 0 EDADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420348436 446525556 /nfs/dbraw/zinc/52/55/56/446525556.db2.gz LPXHLAQIUZBPOD-YJBOKZPZSA-N 2 1 330.476 1.556 20 0 EDADMP Fc1ccc(-c2cc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)on2)cc1 ZINC000420348727 446525962 /nfs/dbraw/zinc/52/59/62/446525962.db2.gz MWCMIOCLVMWAPC-INIZCTEOSA-N 2 1 330.407 1.960 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cs1 ZINC000411409969 446526835 /nfs/dbraw/zinc/52/68/35/446526835.db2.gz AECMUELZOHELMM-UHFFFAOYSA-N 2 1 325.478 1.604 20 0 EDADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)n1 ZINC000420350062 446527432 /nfs/dbraw/zinc/52/74/32/446527432.db2.gz RGNRRAHWFHHKDJ-HXUWFJFHSA-N 2 1 339.487 1.969 20 0 EDADMP Cc1cccc(NCCNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)[nH+]1 ZINC000423445010 446540641 /nfs/dbraw/zinc/54/06/41/446540641.db2.gz YDQJLZKNCGRWSP-AWEZNQCLSA-N 2 1 342.447 1.432 20 0 EDADMP C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000453068509 446541346 /nfs/dbraw/zinc/54/13/46/446541346.db2.gz MUMGVFJPUILXIP-QGZVFWFLSA-N 2 1 339.487 1.945 20 0 EDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453095037 446543514 /nfs/dbraw/zinc/54/35/14/446543514.db2.gz GWDYBSFOZRROIB-PVAVHDDUSA-N 2 1 326.868 1.942 20 0 EDADMP CC(C)(C)[C@H](CN)[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000420363834 446544203 /nfs/dbraw/zinc/54/42/03/446544203.db2.gz OFIZMKWNNIZBSU-SFHVURJKSA-N 2 1 346.519 1.862 20 0 EDADMP C[C@H](NC[C@H]1C[N@H+](C)CCN1C)c1cc(-c2ccccc2)nn1C ZINC000453104009 446544836 /nfs/dbraw/zinc/54/48/36/446544836.db2.gz BVQAUZUGKQESGT-RDJZCZTQSA-N 2 1 327.476 1.984 20 0 EDADMP C[C@H](NC[C@H]1C[N@@H+](C)CCN1C)c1cc(-c2ccccc2)nn1C ZINC000453104009 446544841 /nfs/dbraw/zinc/54/48/41/446544841.db2.gz BVQAUZUGKQESGT-RDJZCZTQSA-N 2 1 327.476 1.984 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000418450088 446547145 /nfs/dbraw/zinc/54/71/45/446547145.db2.gz UMNPPOCSQBTQIH-LSDHHAIUSA-N 2 1 326.485 1.255 20 0 EDADMP CCOC(=O)c1ccc(N2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000420369719 446547825 /nfs/dbraw/zinc/54/78/25/446547825.db2.gz YDOQUDAFGDOBKD-MRXNPFEDSA-N 2 1 346.475 1.770 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000423479571 446552259 /nfs/dbraw/zinc/55/22/59/446552259.db2.gz OGYXYLVXDAFNNN-DGCLKSJQSA-N 2 1 332.416 1.986 20 0 EDADMP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000420375678 446553362 /nfs/dbraw/zinc/55/33/62/446553362.db2.gz JGXQFVUZIUBYOG-ZBFHGGJFSA-N 2 1 349.475 1.279 20 0 EDADMP COc1ccc(CCNC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000420375678 446553370 /nfs/dbraw/zinc/55/33/70/446553370.db2.gz JGXQFVUZIUBYOG-ZBFHGGJFSA-N 2 1 349.475 1.279 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367623896 446568057 /nfs/dbraw/zinc/56/80/57/446568057.db2.gz RVLKZKWJHSKEAA-OKZBNKHCSA-N 2 1 338.540 1.639 20 0 EDADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367623896 446568064 /nfs/dbraw/zinc/56/80/64/446568064.db2.gz RVLKZKWJHSKEAA-OKZBNKHCSA-N 2 1 338.540 1.639 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000367695454 446576178 /nfs/dbraw/zinc/57/61/78/446576178.db2.gz AMJURRKIGOPRRB-ZACQAIPSSA-N 2 1 326.481 1.397 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)CC[NH3+] ZINC000418515572 446576245 /nfs/dbraw/zinc/57/62/45/446576245.db2.gz BQHLSLIWJJIZEX-RDJZCZTQSA-N 2 1 333.480 1.815 20 0 EDADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCC(F)(F)C[NH3+] ZINC000418522623 446579672 /nfs/dbraw/zinc/57/96/72/446579672.db2.gz IYTBZDKAGJKPPF-UHFFFAOYSA-N 2 1 332.370 1.493 20 0 EDADMP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)[C@@H](C)C1 ZINC000411521270 446581998 /nfs/dbraw/zinc/58/19/98/446581998.db2.gz SPYYDWJPPDXBPQ-HNNXBMFYSA-N 2 1 346.475 1.548 20 0 EDADMP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)[C@@H](C)C1 ZINC000411521270 446582002 /nfs/dbraw/zinc/58/20/02/446582002.db2.gz SPYYDWJPPDXBPQ-HNNXBMFYSA-N 2 1 346.475 1.548 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418541397 446586545 /nfs/dbraw/zinc/58/65/45/446586545.db2.gz QIHTYCWRMBMYKQ-VDZJLULYSA-N 2 1 346.475 1.063 20 0 EDADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000418654348 446635707 /nfs/dbraw/zinc/63/57/07/446635707.db2.gz PQDGOZYRSAFQDG-IIDMSEBBSA-N 2 1 348.491 1.345 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000418668543 446641450 /nfs/dbraw/zinc/64/14/50/446641450.db2.gz IIDAYZQDRVLXGY-YRXWBPOGSA-N 2 1 342.487 1.900 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418675234 446644516 /nfs/dbraw/zinc/64/45/16/446644516.db2.gz RCVVTIOIMYOIEE-KVDVXYDOSA-N 2 1 328.460 1.509 20 0 EDADMP C[C@H](CCC[NH3+])NC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000418684749 446646719 /nfs/dbraw/zinc/64/67/19/446646719.db2.gz HKHRTPDVRDGAEN-ZACQAIPSSA-N 2 1 339.528 1.314 20 0 EDADMP C[C@@H](C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)N1CC[NH+](C)CC1 ZINC000375242923 446664497 /nfs/dbraw/zinc/66/44/97/446664497.db2.gz RVAVSVGESZAQSW-AWEZNQCLSA-N 2 1 328.460 1.739 20 0 EDADMP C[C@@H](C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)N1CC[NH+](C)CC1 ZINC000375242923 446664505 /nfs/dbraw/zinc/66/45/05/446664505.db2.gz RVAVSVGESZAQSW-AWEZNQCLSA-N 2 1 328.460 1.739 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000423650547 446625210 /nfs/dbraw/zinc/62/52/10/446625210.db2.gz LELNPXJBEFZARJ-QGZVFWFLSA-N 2 1 345.443 1.751 20 0 EDADMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418646187 446630181 /nfs/dbraw/zinc/63/01/81/446630181.db2.gz WSACQPKLJIMQAF-SJLPKXTDSA-N 2 1 346.475 1.019 20 0 EDADMP CCCn1cc[nH+]c1CCCN(C)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000411636194 446631106 /nfs/dbraw/zinc/63/11/06/446631106.db2.gz XGUXTMDDQVEMJR-ZDUSSCGKSA-N 2 1 346.483 1.752 20 0 EDADMP CCC[C@@]1(CO)CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411652458 446634011 /nfs/dbraw/zinc/63/40/11/446634011.db2.gz YVFLXQCXBKJCED-SFHVURJKSA-N 2 1 325.497 1.602 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC[NH2+][C@@H]3CC)CC2)cn1 ZINC000423760083 446688878 /nfs/dbraw/zinc/68/88/78/446688878.db2.gz QAAUCAUHSDLVCC-QZTJIDSGSA-N 2 1 347.507 1.716 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[NH2+][C@@H]3CC)CC2)cn1 ZINC000423760083 446688884 /nfs/dbraw/zinc/68/88/84/446688884.db2.gz QAAUCAUHSDLVCC-QZTJIDSGSA-N 2 1 347.507 1.716 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])CC2)cn1 ZINC000423759020 446689091 /nfs/dbraw/zinc/68/90/91/446689091.db2.gz OOEITIGNTXCCHK-HKUYNNGSSA-N 2 1 347.507 1.845 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])CC2)cn1 ZINC000423759020 446689098 /nfs/dbraw/zinc/68/90/98/446689098.db2.gz OOEITIGNTXCCHK-HKUYNNGSSA-N 2 1 347.507 1.845 20 0 EDADMP COCC(COC)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000411838778 446692858 /nfs/dbraw/zinc/69/28/58/446692858.db2.gz BMDDKRSJERDSSK-UHFFFAOYSA-N 2 1 335.492 1.397 20 0 EDADMP Cc1cccc(NC2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)[nH+]1 ZINC000371279803 446738586 /nfs/dbraw/zinc/73/85/86/446738586.db2.gz LDJIXEZFZHKOBR-HNNXBMFYSA-N 2 1 334.489 1.888 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)CCOC2C[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000423828171 446717849 /nfs/dbraw/zinc/71/78/49/446717849.db2.gz OCWQUMXDPDMORW-DOTOQJQBSA-N 2 1 337.851 1.580 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)CCOC2C[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000423828171 446717857 /nfs/dbraw/zinc/71/78/57/446717857.db2.gz OCWQUMXDPDMORW-DOTOQJQBSA-N 2 1 337.851 1.580 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000423830436 446719323 /nfs/dbraw/zinc/71/93/23/446719323.db2.gz ASMMXPDKNXQVLI-GDBMZVCRSA-N 2 1 341.459 1.737 20 0 EDADMP CC[C@H]1CN(C(=O)COC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423831045 446719570 /nfs/dbraw/zinc/71/95/70/446719570.db2.gz VWIFJTXVHBUHEX-SFHVURJKSA-N 2 1 345.487 1.878 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)[C@@H]3C[NH2+]CCO3)CC[N@H+]2C2CC2)c1 ZINC000423833628 446720546 /nfs/dbraw/zinc/72/05/46/446720546.db2.gz TXWIBUVWWIHMOZ-BZSNNMDCSA-N 2 1 345.443 1.078 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H](C[NH3+])OC)CC[N@H+]2C2CC2)c1 ZINC000423837871 446727235 /nfs/dbraw/zinc/72/72/35/446727235.db2.gz XHFUETUUOYDSKW-GVDBMIGSSA-N 2 1 333.432 1.063 20 0 EDADMP C[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423860743 446733911 /nfs/dbraw/zinc/73/39/11/446733911.db2.gz AVBUZDGRZRWVRR-QXAKKESOSA-N 2 1 345.487 1.782 20 0 EDADMP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000418758972 446679094 /nfs/dbraw/zinc/67/90/94/446679094.db2.gz KAJIKGBQDWDEOW-VHDGCEQUSA-N 2 1 342.434 1.642 20 0 EDADMP C[NH2+][C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cnn(C)c1 ZINC000423910097 446760157 /nfs/dbraw/zinc/76/01/57/446760157.db2.gz UQIKUVXKBIMPNU-JQFCIGGWSA-N 2 1 331.464 1.156 20 0 EDADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000423931034 446781541 /nfs/dbraw/zinc/78/15/41/446781541.db2.gz LXVRQFFUFGLWLR-LISAXSMJSA-N 2 1 347.507 1.650 20 0 EDADMP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000423932212 446783861 /nfs/dbraw/zinc/78/38/61/446783861.db2.gz NQVZGWQCNKSCOJ-BURFUSLBSA-N 2 1 347.507 1.553 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000423934822 446787914 /nfs/dbraw/zinc/78/79/14/446787914.db2.gz WTQMBRIOHWRIMO-BJLQDIEVSA-N 2 1 345.487 1.954 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000423934822 446787918 /nfs/dbraw/zinc/78/79/18/446787918.db2.gz WTQMBRIOHWRIMO-BJLQDIEVSA-N 2 1 345.487 1.954 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423959486 446798069 /nfs/dbraw/zinc/79/80/69/446798069.db2.gz CJOIJYMHIVUPGE-SFHVURJKSA-N 2 1 332.492 1.610 20 0 EDADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccc3C[NH+](C)C)C2)CC1 ZINC000368258418 446743665 /nfs/dbraw/zinc/74/36/65/446743665.db2.gz GWUOKKWBFVRFEM-QGZVFWFLSA-N 2 1 344.503 1.647 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccc3C[NH+](C)C)C2)CC1 ZINC000368258418 446743671 /nfs/dbraw/zinc/74/36/71/446743671.db2.gz GWUOKKWBFVRFEM-QGZVFWFLSA-N 2 1 344.503 1.647 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000423991731 446811458 /nfs/dbraw/zinc/81/14/58/446811458.db2.gz MXRKTTBEUQPPKP-RDJZCZTQSA-N 2 1 335.423 1.142 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000423991729 446811720 /nfs/dbraw/zinc/81/17/20/446811720.db2.gz MXRKTTBEUQPPKP-DOTOQJQBSA-N 2 1 335.423 1.142 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368364933 446813713 /nfs/dbraw/zinc/81/37/13/446813713.db2.gz XZZNIEDEPDNCOR-OKZBNKHCSA-N 2 1 329.444 1.098 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368364933 446813719 /nfs/dbraw/zinc/81/37/19/446813719.db2.gz XZZNIEDEPDNCOR-OKZBNKHCSA-N 2 1 329.444 1.098 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCCO1 ZINC000424019517 446826926 /nfs/dbraw/zinc/82/69/26/446826926.db2.gz KGXVOVTVKRWEHG-IAGOWNOFSA-N 2 1 335.423 1.366 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCCO1 ZINC000424019517 446826936 /nfs/dbraw/zinc/82/69/36/446826936.db2.gz KGXVOVTVKRWEHG-IAGOWNOFSA-N 2 1 335.423 1.366 20 0 EDADMP CCCCCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425001 446846534 /nfs/dbraw/zinc/84/65/34/446846534.db2.gz QSXADLKBLFBKFR-AEFFLSMTSA-N 2 1 338.540 1.782 20 0 EDADMP CCCCCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425001 446846543 /nfs/dbraw/zinc/84/65/43/446846543.db2.gz QSXADLKBLFBKFR-AEFFLSMTSA-N 2 1 338.540 1.782 20 0 EDADMP C[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000368427558 446856637 /nfs/dbraw/zinc/85/66/37/446856637.db2.gz WQHZUVIKNUBQMX-AZUAARDMSA-N 2 1 331.504 1.861 20 0 EDADMP C[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)[N@H+]1CCCC[C@H]1C ZINC000424127003 446857852 /nfs/dbraw/zinc/85/78/52/446857852.db2.gz CMFYYTATHRTTKF-QLFBSQMISA-N 2 1 334.468 1.195 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000424333757 446866660 /nfs/dbraw/zinc/86/66/60/446866660.db2.gz WGHNDUCKJUNISI-ZACQAIPSSA-N 2 1 325.497 1.581 20 0 EDADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000419104868 446926522 /nfs/dbraw/zinc/92/65/22/446926522.db2.gz NCQNLMSZPDHSPD-KRWDZBQOSA-N 2 1 346.475 1.136 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@](F)(CO)C1 ZINC000368536046 446929063 /nfs/dbraw/zinc/92/90/63/446929063.db2.gz CRONVRWENRRFMT-SUMDDJOVSA-N 2 1 349.450 1.172 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)NC[C@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000371585010 446934803 /nfs/dbraw/zinc/93/48/03/446934803.db2.gz FRLJAQDCEAQCIP-JKSUJKDBSA-N 2 1 346.479 1.456 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)NC[C@H]3CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000371585010 446934810 /nfs/dbraw/zinc/93/48/10/446934810.db2.gz FRLJAQDCEAQCIP-JKSUJKDBSA-N 2 1 346.479 1.456 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000442753253 446952085 /nfs/dbraw/zinc/95/20/85/446952085.db2.gz GEYGLBKTRAULOW-OLZOCXBDSA-N 2 1 332.473 1.624 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000442753253 446952096 /nfs/dbraw/zinc/95/20/96/446952096.db2.gz GEYGLBKTRAULOW-OLZOCXBDSA-N 2 1 332.473 1.624 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000442767186 446959823 /nfs/dbraw/zinc/95/98/23/446959823.db2.gz YAOCDWKITMHGTP-GOEBONIOSA-N 2 1 336.505 1.061 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000442767186 446959828 /nfs/dbraw/zinc/95/98/28/446959828.db2.gz YAOCDWKITMHGTP-GOEBONIOSA-N 2 1 336.505 1.061 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442777317 446965213 /nfs/dbraw/zinc/96/52/13/446965213.db2.gz IWKGVEAOHYRRCU-IJEWVQPXSA-N 2 1 349.475 1.720 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000442786861 446967502 /nfs/dbraw/zinc/96/75/02/446967502.db2.gz WGCBAHWPNORVNV-UONOGXRCSA-N 2 1 339.867 1.846 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000442786861 446967513 /nfs/dbraw/zinc/96/75/13/446967513.db2.gz WGCBAHWPNORVNV-UONOGXRCSA-N 2 1 339.867 1.846 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000372115091 447009570 /nfs/dbraw/zinc/00/95/70/447009570.db2.gz DCLMTERRRJKZKH-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419220689 447017060 /nfs/dbraw/zinc/01/70/60/447017060.db2.gz VIRASJWNGZLHKE-QGZVFWFLSA-N 2 1 346.475 1.093 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)C[N@@H+]1C1CC1 ZINC000371891050 446973699 /nfs/dbraw/zinc/97/36/99/446973699.db2.gz BOMUASQCSBIOLF-CVEARBPZSA-N 2 1 334.508 1.288 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)C[N@H+]1C1CC1 ZINC000371891050 446973702 /nfs/dbraw/zinc/97/37/02/446973702.db2.gz BOMUASQCSBIOLF-CVEARBPZSA-N 2 1 334.508 1.288 20 0 EDADMP CN(C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000454868053 446990354 /nfs/dbraw/zinc/99/03/54/446990354.db2.gz DOIGGVQAJOJMPU-OWCLPIDISA-N 2 1 338.496 1.221 20 0 EDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000443063129 447001736 /nfs/dbraw/zinc/00/17/36/447001736.db2.gz VZQGPUDWAZNRGD-MRXNPFEDSA-N 2 1 348.466 1.535 20 0 EDADMP [NH3+]C1(C(=O)NCC[N@H+]2CCc3sccc3C2)Cc2ccccc2C1 ZINC000372104211 447003428 /nfs/dbraw/zinc/00/34/28/447003428.db2.gz ZTELRFHANURCRH-UHFFFAOYSA-N 2 1 341.480 1.719 20 0 EDADMP C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1CCO ZINC000372365861 447047944 /nfs/dbraw/zinc/04/79/44/447047944.db2.gz LFVJEFZNJXPBBS-QGZVFWFLSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1CCO ZINC000372365861 447047955 /nfs/dbraw/zinc/04/79/55/447047955.db2.gz LFVJEFZNJXPBBS-QGZVFWFLSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C(C)(C)C)CC1 ZINC000444670192 447118078 /nfs/dbraw/zinc/11/80/78/447118078.db2.gz AIASHKHUFRQLOB-SJLPKXTDSA-N 2 1 347.503 1.888 20 0 EDADMP CCOC(=O)[C@](C)(O)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000372478442 447077372 /nfs/dbraw/zinc/07/73/72/447077372.db2.gz RZVINWMCDRUKFW-LJQANCHMSA-N 2 1 349.475 1.334 20 0 EDADMP CCOC(=O)[C@](C)(O)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000372478442 447077377 /nfs/dbraw/zinc/07/73/77/447077377.db2.gz RZVINWMCDRUKFW-LJQANCHMSA-N 2 1 349.475 1.334 20 0 EDADMP CCOC(=O)CCCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908009 447138191 /nfs/dbraw/zinc/13/81/91/447138191.db2.gz UOERXOOSOWJVQB-KRWDZBQOSA-N 2 1 325.497 1.820 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@](C)(O)c3ccccc3)C2)CC1 ZINC000375908129 447139711 /nfs/dbraw/zinc/13/97/11/447139711.db2.gz VFXLCWPSOOAPIU-PMACEKPBSA-N 2 1 331.504 1.994 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000445145490 447174704 /nfs/dbraw/zinc/17/47/04/447174704.db2.gz UULBGCXPVPWFTB-UHFFFAOYSA-N 2 1 328.501 1.376 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000445145490 447174714 /nfs/dbraw/zinc/17/47/14/447174714.db2.gz UULBGCXPVPWFTB-UHFFFAOYSA-N 2 1 328.501 1.376 20 0 EDADMP COCCC[NH+](C)CCNC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000445145490 447174722 /nfs/dbraw/zinc/17/47/22/447174722.db2.gz UULBGCXPVPWFTB-UHFFFAOYSA-N 2 1 328.501 1.376 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000425462262 447175159 /nfs/dbraw/zinc/17/51/59/447175159.db2.gz DTEKGDKNSUGGJJ-GOEBONIOSA-N 2 1 338.496 1.221 20 0 EDADMP C[N@@H+](CCN1CCNC1=O)C1CCN(CCc2ccncc2)CC1 ZINC000377527076 447182368 /nfs/dbraw/zinc/18/23/68/447182368.db2.gz HWTJSGMIBOXBMN-UHFFFAOYSA-N 2 1 331.464 1.046 20 0 EDADMP CN(CCN1CCNC1=O)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377527076 447182376 /nfs/dbraw/zinc/18/23/76/447182376.db2.gz HWTJSGMIBOXBMN-UHFFFAOYSA-N 2 1 331.464 1.046 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCOC(C)(C)C1)c1ccccc1 ZINC000368924165 447205795 /nfs/dbraw/zinc/20/57/95/447205795.db2.gz IAYVRDJAHGGBGB-QGZVFWFLSA-N 2 1 333.476 1.906 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000419478377 447210456 /nfs/dbraw/zinc/21/04/56/447210456.db2.gz JJRLPJZKHCUVEY-CVEARBPZSA-N 2 1 340.512 1.247 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC000419486434 447216254 /nfs/dbraw/zinc/21/62/54/447216254.db2.gz XRRCZCFHPHTCDY-OAGGEKHMSA-N 2 1 338.496 1.014 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](C2CC2)C1)CCC(F)(F)F ZINC000494954075 447468154 /nfs/dbraw/zinc/46/81/54/447468154.db2.gz AGPGSLBNWRAZSM-GFCCVEGCSA-N 2 1 336.402 1.797 20 0 EDADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)CCC(F)(F)F ZINC000494954075 447468159 /nfs/dbraw/zinc/46/81/59/447468159.db2.gz AGPGSLBNWRAZSM-GFCCVEGCSA-N 2 1 336.402 1.797 20 0 EDADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)CCC(F)(F)F ZINC000494954075 447468164 /nfs/dbraw/zinc/46/81/64/447468164.db2.gz AGPGSLBNWRAZSM-GFCCVEGCSA-N 2 1 336.402 1.797 20 0 EDADMP CCC[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC[N@H+]1CCOC ZINC000426942341 447519386 /nfs/dbraw/zinc/51/93/86/447519386.db2.gz KFUQYLQOIDVDPE-GOSISDBHSA-N 2 1 337.508 1.820 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)C2C[NH+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000457412306 447574783 /nfs/dbraw/zinc/57/47/83/447574783.db2.gz XYIOGILJBYKEMX-IYBDPMFKSA-N 2 1 337.508 1.866 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000457424276 447577502 /nfs/dbraw/zinc/57/75/02/447577502.db2.gz QFNSIRDZZIQRNL-MSOLQXFVSA-N 2 1 348.491 1.435 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000457516573 447585672 /nfs/dbraw/zinc/58/56/72/447585672.db2.gz FHTZGXFXOSSWPP-SFHVURJKSA-N 2 1 348.491 1.394 20 0 EDADMP C[C@@H](C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)S(C)(=O)=O ZINC000450635391 447545033 /nfs/dbraw/zinc/54/50/33/447545033.db2.gz BJWWMWZWDSWSOL-AWEZNQCLSA-N 2 1 325.478 1.663 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000398192201 447556854 /nfs/dbraw/zinc/55/68/54/447556854.db2.gz ZULCNDDGHVFCLA-RDJZCZTQSA-N 2 1 331.460 1.392 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457811760 447637564 /nfs/dbraw/zinc/63/75/64/447637564.db2.gz OBFUFPANSHNNDU-HOTGVXAUSA-N 2 1 328.501 1.109 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000457822297 447640590 /nfs/dbraw/zinc/64/05/90/447640590.db2.gz WIRFVEHIUYHQRL-QGZVFWFLSA-N 2 1 326.485 1.082 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000457822297 447640597 /nfs/dbraw/zinc/64/05/97/447640597.db2.gz WIRFVEHIUYHQRL-QGZVFWFLSA-N 2 1 326.485 1.082 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000457822297 447640605 /nfs/dbraw/zinc/64/06/05/447640605.db2.gz WIRFVEHIUYHQRL-QGZVFWFLSA-N 2 1 326.485 1.082 20 0 EDADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1COCCO1 ZINC000450979519 447640847 /nfs/dbraw/zinc/64/08/47/447640847.db2.gz JHDGFMZSOLYCSL-LJQANCHMSA-N 2 1 333.476 1.151 20 0 EDADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000457562814 447598187 /nfs/dbraw/zinc/59/81/87/447598187.db2.gz AVONZPBELUBVOQ-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000457562814 447598192 /nfs/dbraw/zinc/59/81/92/447598192.db2.gz AVONZPBELUBVOQ-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000457562814 447598196 /nfs/dbraw/zinc/59/81/96/447598196.db2.gz AVONZPBELUBVOQ-BBWFWOEESA-N 2 1 340.512 1.611 20 0 EDADMP C[N@@H+](CCCCNC(=O)NC[C@H]1CCCC[NH+]1CCO)C1CC1 ZINC000459156347 447598173 /nfs/dbraw/zinc/59/81/73/447598173.db2.gz LPBJJOGETIXMDZ-MRXNPFEDSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCCCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000459156347 447598179 /nfs/dbraw/zinc/59/81/79/447598179.db2.gz LPBJJOGETIXMDZ-MRXNPFEDSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCCCNC(=O)NC[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000459156347 447598181 /nfs/dbraw/zinc/59/81/81/447598181.db2.gz LPBJJOGETIXMDZ-MRXNPFEDSA-N 2 1 326.485 1.007 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+])C(=O)OC ZINC000404323020 447599421 /nfs/dbraw/zinc/59/94/21/447599421.db2.gz SBBILMXRWKBXHY-AYDFFVQHSA-N 2 1 327.469 1.140 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+])C(=O)OC ZINC000404323020 447599427 /nfs/dbraw/zinc/59/94/27/447599427.db2.gz SBBILMXRWKBXHY-AYDFFVQHSA-N 2 1 327.469 1.140 20 0 EDADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000420117117 447612594 /nfs/dbraw/zinc/61/25/94/447612594.db2.gz HOHMRYXQWMZLPN-OAHLLOKOSA-N 2 1 346.475 1.265 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)[NH+](C)C ZINC000416827874 447692587 /nfs/dbraw/zinc/69/25/87/447692587.db2.gz DFDWLTRBJDSAOR-STQMWFEESA-N 2 1 344.406 1.580 20 0 EDADMP C[NH2+][C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000416839193 447694828 /nfs/dbraw/zinc/69/48/28/447694828.db2.gz JOORHRBDKFOMMP-GDBMZVCRSA-N 2 1 334.464 1.691 20 0 EDADMP C[N@@H+](CCCNC(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000416867929 447699220 /nfs/dbraw/zinc/69/92/20/447699220.db2.gz DKKJMVNDYCUQBK-KRWDZBQOSA-N 2 1 334.464 1.268 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCc2cc(F)cc(F)c2)C[C@@H]1C[NH3+] ZINC000422631154 447679428 /nfs/dbraw/zinc/67/94/28/447679428.db2.gz FCIBMPUVGNFBLH-DYEKYZERSA-N 2 1 325.403 1.886 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)C[C@@H]1C[NH3+] ZINC000422631154 447679435 /nfs/dbraw/zinc/67/94/35/447679435.db2.gz FCIBMPUVGNFBLH-DYEKYZERSA-N 2 1 325.403 1.886 20 0 EDADMP COc1cc2[nH+]c(N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)nc(N)c2cc1OC ZINC000420228012 447679534 /nfs/dbraw/zinc/67/95/34/447679534.db2.gz KBEUTNLWVAEIRP-DLOVCJGASA-N 2 1 329.404 1.403 20 0 EDADMP CC(C)C[C@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)[NH+]1CCOCC1 ZINC000416939928 447717764 /nfs/dbraw/zinc/71/77/64/447717764.db2.gz NXBCNXKWIYTWIY-IAGOWNOFSA-N 2 1 342.528 1.748 20 0 EDADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422706721 447721811 /nfs/dbraw/zinc/72/18/11/447721811.db2.gz UYNFXYKEBFXBCG-NTQSIJHJSA-N 2 1 337.489 1.871 20 0 EDADMP CC(C)[C@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000416947484 447721955 /nfs/dbraw/zinc/72/19/55/447721955.db2.gz GWAHVWRQGMZIOH-SJORKVTESA-N 2 1 339.528 1.090 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000416949150 447722505 /nfs/dbraw/zinc/72/25/05/447722505.db2.gz ZSECDURPDIPHSC-XHSDSOJGSA-N 2 1 326.485 1.255 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416955240 447724408 /nfs/dbraw/zinc/72/44/08/447724408.db2.gz MBGJEPOJPBDIEE-DLBZAZTESA-N 2 1 340.512 1.646 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)[NH+]1CCOCC1 ZINC000416954655 447724575 /nfs/dbraw/zinc/72/45/75/447724575.db2.gz LTDHJWRBQZFPMJ-IAGOWNOFSA-N 2 1 340.512 1.517 20 0 EDADMP C[NH2+]CCCNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417014999 447729549 /nfs/dbraw/zinc/72/95/49/447729549.db2.gz GCRNBWWSOVYDNX-SFHVURJKSA-N 2 1 347.507 1.274 20 0 EDADMP C[NH2+]CCCNC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000417014999 447729554 /nfs/dbraw/zinc/72/95/54/447729554.db2.gz GCRNBWWSOVYDNX-SFHVURJKSA-N 2 1 347.507 1.274 20 0 EDADMP C[NH2+]CCCNC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000417014999 447729559 /nfs/dbraw/zinc/72/95/59/447729559.db2.gz GCRNBWWSOVYDNX-SFHVURJKSA-N 2 1 347.507 1.274 20 0 EDADMP C[NH2+]CCC1CCN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000417060785 447732089 /nfs/dbraw/zinc/73/20/89/447732089.db2.gz KCRGILSVILNYMR-UHFFFAOYSA-N 2 1 333.480 2.223 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN[C@H]2C(=O)OCC)[C@H](C)C1 ZINC000422743100 447736096 /nfs/dbraw/zinc/73/60/96/447736096.db2.gz HVXVDYPEKYHMKV-YYIAUSFCSA-N 2 1 341.496 1.007 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN[C@H]2C(=O)OCC)[C@H](C)C1 ZINC000422743100 447736098 /nfs/dbraw/zinc/73/60/98/447736098.db2.gz HVXVDYPEKYHMKV-YYIAUSFCSA-N 2 1 341.496 1.007 20 0 EDADMP COc1cc(C[C@@H](CO)C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc(OC)c1 ZINC000422823582 447760910 /nfs/dbraw/zinc/76/09/10/447760910.db2.gz LVIXFDSPJWPUGE-GMBSWORKSA-N 2 1 336.476 1.975 20 0 EDADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC000471856564 447815717 /nfs/dbraw/zinc/81/57/17/447815717.db2.gz LRKDTTPAUGQLAZ-IAGOWNOFSA-N 2 1 344.459 1.210 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C1CCCC1 ZINC000458330638 447770573 /nfs/dbraw/zinc/77/05/73/447770573.db2.gz FSENEWQQZLMPQW-INIZCTEOSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C1CCCC1 ZINC000458330638 447770578 /nfs/dbraw/zinc/77/05/78/447770578.db2.gz FSENEWQQZLMPQW-INIZCTEOSA-N 2 1 326.485 1.007 20 0 EDADMP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CC[NH2+]C3)C2=O)c1 ZINC000422916933 447772502 /nfs/dbraw/zinc/77/25/02/447772502.db2.gz BYIHODFTFISSDL-XNJGSVPQSA-N 2 1 333.432 1.397 20 0 EDADMP COCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000430549742 447775536 /nfs/dbraw/zinc/77/55/36/447775536.db2.gz JEHAAQLEJVKCOI-RDJZCZTQSA-N 2 1 349.475 1.387 20 0 EDADMP COCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000430549742 447775540 /nfs/dbraw/zinc/77/55/40/447775540.db2.gz JEHAAQLEJVKCOI-RDJZCZTQSA-N 2 1 349.475 1.387 20 0 EDADMP COCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430549744 447775583 /nfs/dbraw/zinc/77/55/83/447775583.db2.gz JEHAAQLEJVKCOI-WBVHZDCISA-N 2 1 349.475 1.387 20 0 EDADMP COCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430549744 447775587 /nfs/dbraw/zinc/77/55/87/447775587.db2.gz JEHAAQLEJVKCOI-WBVHZDCISA-N 2 1 349.475 1.387 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422939591 447776693 /nfs/dbraw/zinc/77/66/93/447776693.db2.gz MEPXKHMLWSCZJW-HOTGVXAUSA-N 2 1 325.478 1.687 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000430555080 447777643 /nfs/dbraw/zinc/77/76/43/447777643.db2.gz RJSAFUBLRMGOHY-ZWKOTPCHSA-N 2 1 344.503 1.703 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000430555080 447777645 /nfs/dbraw/zinc/77/76/45/447777645.db2.gz RJSAFUBLRMGOHY-ZWKOTPCHSA-N 2 1 344.503 1.703 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2OC)C1 ZINC000430782699 447785024 /nfs/dbraw/zinc/78/50/24/447785024.db2.gz XXBHCGYRFYJSHT-QAPCUYQASA-N 2 1 349.475 1.654 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCOCC[NH+](C)C ZINC000471659791 447808254 /nfs/dbraw/zinc/80/82/54/447808254.db2.gz SHVUEKBMZGNUEU-QGZVFWFLSA-N 2 1 348.491 1.481 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCOCC[NH+](C)C ZINC000471659791 447808258 /nfs/dbraw/zinc/80/82/58/447808258.db2.gz SHVUEKBMZGNUEU-QGZVFWFLSA-N 2 1 348.491 1.481 20 0 EDADMP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000488177524 447842779 /nfs/dbraw/zinc/84/27/79/447842779.db2.gz MWZFSTQNYRATKY-LJQANCHMSA-N 2 1 330.476 1.985 20 0 EDADMP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1=CC[N@@H+](C)CC1 ZINC000497108797 447860958 /nfs/dbraw/zinc/86/09/58/447860958.db2.gz QEJHTYGNSUDTGO-HIFRSBDPSA-N 2 1 327.469 1.454 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000523332982 447879092 /nfs/dbraw/zinc/87/90/92/447879092.db2.gz XECWZXRJTAUKNK-TVFCKZIOSA-N 2 1 339.524 1.967 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000523332982 447879097 /nfs/dbraw/zinc/87/90/97/447879097.db2.gz XECWZXRJTAUKNK-TVFCKZIOSA-N 2 1 339.524 1.967 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnc(N2CCCC2)nc1 ZINC000569855564 447908126 /nfs/dbraw/zinc/90/81/26/447908126.db2.gz AACXQBJIQJQBHF-UHFFFAOYSA-N 2 1 332.496 1.146 20 0 EDADMP Cn1ccnc1[C@H]1[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC(=O)N1C ZINC000552318118 447944239 /nfs/dbraw/zinc/94/42/39/447944239.db2.gz QJWVPMCOUVFVHQ-IQWQSGHPSA-N 2 1 345.491 1.402 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000530727668 447947451 /nfs/dbraw/zinc/94/74/51/447947451.db2.gz FTJYZMOLUROJKK-UHFFFAOYSA-N 2 1 327.432 1.928 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000530777028 447956340 /nfs/dbraw/zinc/95/63/40/447956340.db2.gz DQCWGMFRIDKFML-HUUCEWRRSA-N 2 1 325.840 1.390 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000530777028 447956344 /nfs/dbraw/zinc/95/63/44/447956344.db2.gz DQCWGMFRIDKFML-HUUCEWRRSA-N 2 1 325.840 1.390 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOC4(CCC4)C3)CC2)CC1 ZINC000553210751 447978097 /nfs/dbraw/zinc/97/80/97/447978097.db2.gz OYLIKOQUHIBFQK-UHFFFAOYSA-N 2 1 349.519 1.964 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CCCO1 ZINC000570309311 447985008 /nfs/dbraw/zinc/98/50/08/447985008.db2.gz NGTPIDXWLCPLIW-AWEZNQCLSA-N 2 1 336.823 1.982 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CCCO1 ZINC000570309311 447985012 /nfs/dbraw/zinc/98/50/12/447985012.db2.gz NGTPIDXWLCPLIW-AWEZNQCLSA-N 2 1 336.823 1.982 20 0 EDADMP CC1CC[NH+](CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000525690541 448012710 /nfs/dbraw/zinc/01/27/10/448012710.db2.gz SPHOGSBPVLQIKW-HXUWFJFHSA-N 2 1 345.487 1.472 20 0 EDADMP c1ccc(Cn2nnnc2C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000576108526 447974720 /nfs/dbraw/zinc/97/47/20/447974720.db2.gz AZTFBMGHXPNMAE-IRXDYDNUSA-N 2 1 326.448 1.543 20 0 EDADMP c1ccc(Cn2nnnc2C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000576108526 447974724 /nfs/dbraw/zinc/97/47/24/447974724.db2.gz AZTFBMGHXPNMAE-IRXDYDNUSA-N 2 1 326.448 1.543 20 0 EDADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000496908605 448026101 /nfs/dbraw/zinc/02/61/01/448026101.db2.gz NMMCXUSKHXCFBC-RHSMWYFYSA-N 2 1 329.485 1.440 20 0 EDADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000496908605 448026107 /nfs/dbraw/zinc/02/61/07/448026107.db2.gz NMMCXUSKHXCFBC-RHSMWYFYSA-N 2 1 329.485 1.440 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](N3CCCC3=O)C2)CC1 ZINC000554545211 448032510 /nfs/dbraw/zinc/03/25/10/448032510.db2.gz UXMBQSJAMRYALB-SFHVURJKSA-N 2 1 336.524 1.489 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000576409730 448048447 /nfs/dbraw/zinc/04/84/47/448048447.db2.gz AMAJQRYFAPCTME-DLBZAZTESA-N 2 1 336.524 1.203 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000503766422 448107459 /nfs/dbraw/zinc/10/74/59/448107459.db2.gz WNNXLTPUZQOTML-ULQDDVLXSA-N 2 1 325.497 1.674 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)Cn3cccn3)c2)CCO1 ZINC000571316366 448137142 /nfs/dbraw/zinc/13/71/42/448137142.db2.gz WNUNGDHXRCRQCV-QFBILLFUSA-N 2 1 344.459 1.255 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)Cn3cccn3)c2)CCO1 ZINC000571316366 448137146 /nfs/dbraw/zinc/13/71/46/448137146.db2.gz WNUNGDHXRCRQCV-QFBILLFUSA-N 2 1 344.459 1.255 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000571777535 448205488 /nfs/dbraw/zinc/20/54/88/448205488.db2.gz VTCWLDZVYKZPNB-KBAYOESNSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@H](c1ccc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1)[NH+]1CCOCC1 ZINC000577363448 448274751 /nfs/dbraw/zinc/27/47/51/448274751.db2.gz DONWLVUIKSSXSA-VZEFYGNVSA-N 2 1 330.432 1.419 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000591096710 448261133 /nfs/dbraw/zinc/26/11/33/448261133.db2.gz BICCTVVKJNKCSR-INIZCTEOSA-N 2 1 344.459 1.274 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC[N@H+]1C ZINC000532494170 448265116 /nfs/dbraw/zinc/26/51/16/448265116.db2.gz VQHRBKYQSCYKNI-MRAWALMUSA-N 2 1 330.432 1.314 20 0 EDADMP C[NH+]1CCN(CCOCCN2CC[N@H+](C)C(C)(C)C2)CC1(C)C ZINC000572131780 448298724 /nfs/dbraw/zinc/29/87/24/448298724.db2.gz NMPRYRKQQCVHOU-UHFFFAOYSA-N 2 1 326.529 1.055 20 0 EDADMP CN1CC[N@H+](CCOCCN2CC[NH+](C)C(C)(C)C2)CC1(C)C ZINC000572131780 448298733 /nfs/dbraw/zinc/29/87/33/448298733.db2.gz NMPRYRKQQCVHOU-UHFFFAOYSA-N 2 1 326.529 1.055 20 0 EDADMP CN1CC[N@@H+](CCOCCN2CC[NH+](C)C(C)(C)C2)CC1(C)C ZINC000572131780 448298739 /nfs/dbraw/zinc/29/87/39/448298739.db2.gz NMPRYRKQQCVHOU-UHFFFAOYSA-N 2 1 326.529 1.055 20 0 EDADMP CN1CC[NH+](CCOCCN2CC[N@H+](C)C(C)(C)C2)CC1(C)C ZINC000572131780 448298745 /nfs/dbraw/zinc/29/87/45/448298745.db2.gz NMPRYRKQQCVHOU-UHFFFAOYSA-N 2 1 326.529 1.055 20 0 EDADMP CN1CC[NH+](CCOCCN2CC[N@@H+](C)C(C)(C)C2)CC1(C)C ZINC000572131780 448298749 /nfs/dbraw/zinc/29/87/49/448298749.db2.gz NMPRYRKQQCVHOU-UHFFFAOYSA-N 2 1 326.529 1.055 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000577551239 448325508 /nfs/dbraw/zinc/32/55/08/448325508.db2.gz IJGUKPHOUDCVTC-INIZCTEOSA-N 2 1 327.517 1.042 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000577551239 448325511 /nfs/dbraw/zinc/32/55/11/448325511.db2.gz IJGUKPHOUDCVTC-INIZCTEOSA-N 2 1 327.517 1.042 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000577551239 448325515 /nfs/dbraw/zinc/32/55/15/448325515.db2.gz IJGUKPHOUDCVTC-INIZCTEOSA-N 2 1 327.517 1.042 20 0 EDADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NC1C[NH2+]C1 ZINC000577475410 448305794 /nfs/dbraw/zinc/30/57/94/448305794.db2.gz XEKKHOYCXQLZJP-QGZVFWFLSA-N 2 1 330.476 1.730 20 0 EDADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000572498269 448396121 /nfs/dbraw/zinc/39/61/21/448396121.db2.gz NIYHLKCWYSOAJD-SJLPKXTDSA-N 2 1 345.491 1.858 20 0 EDADMP C[N@@H+](CCN1CCC(CO)([NH2+]CC2CC2)CC1)Cc1ccccc1 ZINC000577854352 448403476 /nfs/dbraw/zinc/40/34/76/448403476.db2.gz KFOYIHHXCDBGTH-UHFFFAOYSA-N 2 1 331.504 1.945 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000582902792 448374763 /nfs/dbraw/zinc/37/47/63/448374763.db2.gz LZBGNOHADFEEMC-HUUCEWRRSA-N 2 1 348.495 1.270 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](CC(=O)NCc2ccccc2F)CC12CCOCC2 ZINC000566245014 448428815 /nfs/dbraw/zinc/42/88/15/448428815.db2.gz HVCOZURKPROBDX-HNNXBMFYSA-N 2 1 335.423 1.129 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2F)CC12CCOCC2 ZINC000566245014 448428820 /nfs/dbraw/zinc/42/88/20/448428820.db2.gz HVCOZURKPROBDX-HNNXBMFYSA-N 2 1 335.423 1.129 20 0 EDADMP C[C@@H](C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1C[NH2+]C1 ZINC000578010402 448439506 /nfs/dbraw/zinc/43/95/06/448439506.db2.gz ILJYYBCSIAMJDM-VKJFTORMSA-N 2 1 331.460 1.248 20 0 EDADMP C[C@@H](C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1C[NH2+]C1 ZINC000578010402 448439512 /nfs/dbraw/zinc/43/95/12/448439512.db2.gz ILJYYBCSIAMJDM-VKJFTORMSA-N 2 1 331.460 1.248 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578068195 448453362 /nfs/dbraw/zinc/45/33/62/448453362.db2.gz SGOGTSUQPGXWHT-RYRKJORJSA-N 2 1 335.492 1.478 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000572767121 448459765 /nfs/dbraw/zinc/45/97/65/448459765.db2.gz BHYIUVCSSKAHNO-UHFFFAOYSA-N 2 1 342.528 1.861 20 0 EDADMP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000591727504 448473561 /nfs/dbraw/zinc/47/35/61/448473561.db2.gz DRIMXWPZJKWUSB-YOEHRIQHSA-N 2 1 348.443 1.287 20 0 EDADMP NC(=O)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000591759456 448483541 /nfs/dbraw/zinc/48/35/41/448483541.db2.gz RFRCYZRKNCKKDG-BRWVUGGUSA-N 2 1 344.459 1.462 20 0 EDADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC000516922560 448496717 /nfs/dbraw/zinc/49/67/17/448496717.db2.gz IAUVCYKOLIKACU-SFHVURJKSA-N 2 1 336.476 1.905 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000566567731 448510215 /nfs/dbraw/zinc/51/02/15/448510215.db2.gz VNVUIAMOWWOUAT-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000572984626 448515717 /nfs/dbraw/zinc/51/57/17/448515717.db2.gz JJODZJGXFGWCRG-FUHWJXTLSA-N 2 1 331.460 1.034 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000572984626 448515721 /nfs/dbraw/zinc/51/57/21/448515721.db2.gz JJODZJGXFGWCRG-FUHWJXTLSA-N 2 1 331.460 1.034 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572984626 448515728 /nfs/dbraw/zinc/51/57/28/448515728.db2.gz JJODZJGXFGWCRG-FUHWJXTLSA-N 2 1 331.460 1.034 20 0 EDADMP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572984626 448515731 /nfs/dbraw/zinc/51/57/31/448515731.db2.gz JJODZJGXFGWCRG-FUHWJXTLSA-N 2 1 331.460 1.034 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)ccn1 ZINC000578341875 448523985 /nfs/dbraw/zinc/52/39/85/448523985.db2.gz VXYKEFRWUNNVML-UHFFFAOYSA-N 2 1 348.491 1.968 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000528367410 448500292 /nfs/dbraw/zinc/50/02/92/448500292.db2.gz IUWNXGNPGGFVGD-SOLBZPMBSA-N 2 1 340.508 1.474 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)CC12CCOCC2 ZINC000566679573 448536712 /nfs/dbraw/zinc/53/67/12/448536712.db2.gz YZNXZEWNOWEWON-MRXNPFEDSA-N 2 1 327.432 1.455 20 0 EDADMP Cc1[nH]nc2ncc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc12 ZINC000584485473 448545459 /nfs/dbraw/zinc/54/54/59/448545459.db2.gz CBXFNFGWAQZPAL-KSSFIOAISA-N 2 1 342.491 1.724 20 0 EDADMP Cc1[nH]nc2ncc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc12 ZINC000584485473 448545466 /nfs/dbraw/zinc/54/54/66/448545466.db2.gz CBXFNFGWAQZPAL-KSSFIOAISA-N 2 1 342.491 1.724 20 0 EDADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000584719735 448608737 /nfs/dbraw/zinc/60/87/37/448608737.db2.gz JXLLTTQNSVWUCE-HNNXBMFYSA-N 2 1 337.439 1.899 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000578695893 448611076 /nfs/dbraw/zinc/61/10/76/448611076.db2.gz PNYWDIYJMQAOEE-UHFFFAOYSA-N 2 1 346.519 1.894 20 0 EDADMP COc1ncc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000517553767 448591898 /nfs/dbraw/zinc/59/18/98/448591898.db2.gz UVQWMVYVKCXWDS-NWANDNLSSA-N 2 1 325.840 1.990 20 0 EDADMP C[C@@]1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[N@H+]1Cc1ccccc1 ZINC000573583864 448665749 /nfs/dbraw/zinc/66/57/49/448665749.db2.gz PYNMDMMVQVEFJA-FAJBIJEISA-N 2 1 328.460 1.558 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000518371103 448669995 /nfs/dbraw/zinc/66/99/95/448669995.db2.gz NJUKNRXLBGMAGW-JQHSSLGASA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000518371103 448670003 /nfs/dbraw/zinc/67/00/03/448670003.db2.gz NJUKNRXLBGMAGW-JQHSSLGASA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000579001215 448691585 /nfs/dbraw/zinc/69/15/85/448691585.db2.gz IYUUPOLNNUSGDM-CYBMUJFWSA-N 2 1 346.431 1.436 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+](C)C ZINC000541797832 448694511 /nfs/dbraw/zinc/69/45/11/448694511.db2.gz QTOLYEUIAGOMQH-MRXNPFEDSA-N 2 1 336.480 1.891 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000573746955 448703762 /nfs/dbraw/zinc/70/37/62/448703762.db2.gz XRIRQMGRCAZQTI-OAHLLOKOSA-N 2 1 347.463 1.264 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000528796588 448682978 /nfs/dbraw/zinc/68/29/78/448682978.db2.gz JRYZJJUPEYSUNV-IAGOWNOFSA-N 2 1 348.491 1.929 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000579133455 448725047 /nfs/dbraw/zinc/72/50/47/448725047.db2.gz QGXBSOAPTBBGIJ-MRXNPFEDSA-N 2 1 346.475 1.799 20 0 EDADMP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000545918511 448808655 /nfs/dbraw/zinc/80/86/55/448808655.db2.gz PATQHPYFXTZAGF-IAGOWNOFSA-N 2 1 347.507 1.910 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529319731 448820822 /nfs/dbraw/zinc/82/08/22/448820822.db2.gz CLZCDLCYGSGBMQ-NVXWUHKLSA-N 2 1 346.475 1.314 20 0 EDADMP CC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)[C@@H](C)C1 ZINC000579626915 448839696 /nfs/dbraw/zinc/83/96/96/448839696.db2.gz KYUIIMDOKBCCOO-FUHWJXTLSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)[C@@H](C)C1 ZINC000579626915 448839699 /nfs/dbraw/zinc/83/96/99/448839699.db2.gz KYUIIMDOKBCCOO-FUHWJXTLSA-N 2 1 330.476 1.846 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)[C@@H](C)C1 ZINC000579626915 448839702 /nfs/dbraw/zinc/83/97/02/448839702.db2.gz KYUIIMDOKBCCOO-FUHWJXTLSA-N 2 1 330.476 1.846 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@@H](C)C1 ZINC000574403141 448866518 /nfs/dbraw/zinc/86/65/18/448866518.db2.gz XTAGSTLVRHUVJJ-SZMVWBNQSA-N 2 1 337.508 1.866 20 0 EDADMP COc1ccc2c(c1)CCC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000574422005 448872857 /nfs/dbraw/zinc/87/28/57/448872857.db2.gz CIOIABUDAQFPED-OAHLLOKOSA-N 2 1 331.460 1.641 20 0 EDADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000520235119 448876005 /nfs/dbraw/zinc/87/60/05/448876005.db2.gz QHALRHBFQVQVDP-ZWKOTPCHSA-N 2 1 330.476 1.313 20 0 EDADMP CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000574470956 448882525 /nfs/dbraw/zinc/88/25/25/448882525.db2.gz KBRNAXRBXFLEPF-MRXNPFEDSA-N 2 1 332.448 1.239 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000574470956 448882530 /nfs/dbraw/zinc/88/25/30/448882530.db2.gz KBRNAXRBXFLEPF-MRXNPFEDSA-N 2 1 332.448 1.239 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C3(C)C[NH2+]C3)cc2)CC1 ZINC000579947408 448917859 /nfs/dbraw/zinc/91/78/59/448917859.db2.gz KFXDVRJSSSPJRB-UHFFFAOYSA-N 2 1 330.476 1.050 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000574640599 448922764 /nfs/dbraw/zinc/92/27/64/448922764.db2.gz LRFTYXQJRSKHRD-JZXOWHBKSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000521216492 448962660 /nfs/dbraw/zinc/96/26/60/448962660.db2.gz QKRDVSRLYALPHG-MXSMSXNCSA-N 2 1 346.475 1.407 20 0 EDADMP C[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000521216492 448962662 /nfs/dbraw/zinc/96/26/62/448962662.db2.gz QKRDVSRLYALPHG-MXSMSXNCSA-N 2 1 346.475 1.407 20 0 EDADMP Cc1cc(N2CCC([NH2+]C[C@H](O)COCC(C)C)CC2)nc(C)[nH+]1 ZINC000569109575 448963297 /nfs/dbraw/zinc/96/32/97/448963297.db2.gz AFSRVGYVLJGQQG-KRWDZBQOSA-N 2 1 336.480 1.685 20 0 EDADMP Cc1nc2c(n1CCO)CC[C@@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C2 ZINC000521445244 448987229 /nfs/dbraw/zinc/98/72/29/448987229.db2.gz GJYZZRHXLLSAMU-VNHYZAJKSA-N 2 1 334.464 1.030 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000569216614 448982005 /nfs/dbraw/zinc/98/20/05/448982005.db2.gz OXDMKFRTBZFYDB-PBHICJAKSA-N 2 1 338.521 1.670 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000574896706 448984360 /nfs/dbraw/zinc/98/43/60/448984360.db2.gz DONVUKVUSXGNRT-KRWDZBQOSA-N 2 1 344.459 1.150 20 0 EDADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000574896706 448984364 /nfs/dbraw/zinc/98/43/64/448984364.db2.gz DONVUKVUSXGNRT-KRWDZBQOSA-N 2 1 344.459 1.150 20 0 EDADMP CCC[NH2+]CCNC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569322292 449000872 /nfs/dbraw/zinc/00/08/72/449000872.db2.gz FYQXPTFYVKYWSO-SJLPKXTDSA-N 2 1 348.491 1.575 20 0 EDADMP CCC[NH2+]CCNC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569322292 449000878 /nfs/dbraw/zinc/00/08/78/449000878.db2.gz FYQXPTFYVKYWSO-SJLPKXTDSA-N 2 1 348.491 1.575 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569337553 449005886 /nfs/dbraw/zinc/00/58/86/449005886.db2.gz GOMUVAVGGXPUBT-HRCADAONSA-N 2 1 327.517 1.170 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)OC)CC2)CC1 ZINC000575328541 449078007 /nfs/dbraw/zinc/07/80/07/449078007.db2.gz SPYRKHDGMHMKFK-UHFFFAOYSA-N 2 1 325.497 1.724 20 0 EDADMP CN(C(=O)NC1CCN(c2ccccn2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000522080574 449048953 /nfs/dbraw/zinc/04/89/53/449048953.db2.gz QIOWOHKMPKJRBH-KRWDZBQOSA-N 2 1 343.475 1.929 20 0 EDADMP COc1ccccc1CCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530221504 449086833 /nfs/dbraw/zinc/08/68/33/449086833.db2.gz FFPRFOAOLVUWNC-UHFFFAOYSA-N 2 1 346.475 1.271 20 0 EDADMP COC(=O)[C@H]1C[C@@H]([NH+](C)C/C=C/C[N@H+](C)[C@H]2C[C@@H](C(=O)OC)C2)C1 ZINC000595851067 449207644 /nfs/dbraw/zinc/20/76/44/449207644.db2.gz UQSPQLKYEIAWLS-ZFBIZUAJSA-N 2 1 338.448 1.309 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000590563934 449191935 /nfs/dbraw/zinc/19/19/35/449191935.db2.gz AWTUTCJBRAXJHG-JKSUJKDBSA-N 2 1 343.537 1.383 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000604643701 449268554 /nfs/dbraw/zinc/26/85/54/449268554.db2.gz VZWDUDGZYOZWLT-ULQDDVLXSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)N[C@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000604643701 449268557 /nfs/dbraw/zinc/26/85/57/449268557.db2.gz VZWDUDGZYOZWLT-ULQDDVLXSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)N[C@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000604643701 449268560 /nfs/dbraw/zinc/26/85/60/449268560.db2.gz VZWDUDGZYOZWLT-ULQDDVLXSA-N 2 1 340.512 1.517 20 0 EDADMP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NC[C@@H]3CCC[N@@H+](CC4CC4)C3)c21 ZINC000595991759 449300919 /nfs/dbraw/zinc/30/09/19/449300919.db2.gz JYTYSPPTPVLTSY-HOTGVXAUSA-N 2 1 345.491 1.571 20 0 EDADMP CC[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)[NH+](CC)CC ZINC000605427046 449381928 /nfs/dbraw/zinc/38/19/28/449381928.db2.gz NZNZNOPNIHIEGR-HOTGVXAUSA-N 2 1 338.496 1.048 20 0 EDADMP O[C@]1(C[NH2+]C[C@@H]2CNc3ccnn3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366812 449604546 /nfs/dbraw/zinc/60/45/46/449604546.db2.gz VULMDWYCDVLRHY-MJGOQNOKSA-N 2 1 341.459 1.151 20 0 EDADMP O[C@]1(C[NH2+]C[C@@H]2CNc3ccnn3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366812 449604550 /nfs/dbraw/zinc/60/45/50/449604550.db2.gz VULMDWYCDVLRHY-MJGOQNOKSA-N 2 1 341.459 1.151 20 0 EDADMP [NH3+]CCSCc1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000594656498 449611463 /nfs/dbraw/zinc/61/14/63/449611463.db2.gz WEHVPBTXWYBVSE-MRXNPFEDSA-N 2 1 331.489 1.992 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)no2)C1 ZINC000602480479 449623819 /nfs/dbraw/zinc/62/38/19/449623819.db2.gz XKULPOJJOQDOAU-CYBMUJFWSA-N 2 1 325.409 1.394 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C(=O)OC)no2)C1 ZINC000602480479 449623824 /nfs/dbraw/zinc/62/38/24/449623824.db2.gz XKULPOJJOQDOAU-CYBMUJFWSA-N 2 1 325.409 1.394 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c[nH]c4ncncc34)C2)CC1 ZINC000602487246 449627953 /nfs/dbraw/zinc/62/79/53/449627953.db2.gz WGYLACPZIQEKRB-INIZCTEOSA-N 2 1 328.464 1.510 20 0 EDADMP COC(=O)c1[nH]c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1C ZINC000602568015 449679547 /nfs/dbraw/zinc/67/95/47/449679547.db2.gz LQOSEDOJUUMZAY-SJORKVTESA-N 2 1 349.475 1.967 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617503409 449646942 /nfs/dbraw/zinc/64/69/42/449646942.db2.gz HUZCRIVGWJNUQQ-INIZCTEOSA-N 3 1 326.529 1.495 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617503409 449646947 /nfs/dbraw/zinc/64/69/47/449646947.db2.gz HUZCRIVGWJNUQQ-INIZCTEOSA-N 3 1 326.529 1.495 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000594944731 449816184 /nfs/dbraw/zinc/81/61/84/449816184.db2.gz VNJBESSTJZEFSG-ZWQIFLOQSA-N 2 1 346.471 1.931 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000608648471 449896144 /nfs/dbraw/zinc/89/61/44/449896144.db2.gz VEFSTHLCAJIOJI-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000608648471 449896150 /nfs/dbraw/zinc/89/61/50/449896150.db2.gz VEFSTHLCAJIOJI-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000608648471 449896155 /nfs/dbraw/zinc/89/61/55/449896155.db2.gz VEFSTHLCAJIOJI-ZWKOTPCHSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@]1(NC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000612905222 449934710 /nfs/dbraw/zinc/93/47/10/449934710.db2.gz ZNNFJFJVLBBFNP-WMZOPIPTSA-N 2 1 348.516 1.655 20 0 EDADMP C[C@]1(NC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000612905222 449934714 /nfs/dbraw/zinc/93/47/14/449934714.db2.gz ZNNFJFJVLBBFNP-WMZOPIPTSA-N 2 1 348.516 1.655 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@H]1CC12CC[NH2+]CC2)Cc1ccc(F)cc1 ZINC000612976236 449967584 /nfs/dbraw/zinc/96/75/84/449967584.db2.gz IYBVUYCZGFFXMX-INIZCTEOSA-N 2 1 334.439 1.699 20 0 EDADMP C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000615264813 450027310 /nfs/dbraw/zinc/02/73/10/450027310.db2.gz GGVUNUHRQKSZAN-DLBZAZTESA-N 2 1 348.447 1.206 20 0 EDADMP C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000615264813 450027313 /nfs/dbraw/zinc/02/73/13/450027313.db2.gz GGVUNUHRQKSZAN-DLBZAZTESA-N 2 1 348.447 1.206 20 0 EDADMP CN(CC(=O)NCC(C)(C)C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000625343421 450305934 /nfs/dbraw/zinc/30/59/34/450305934.db2.gz MQFXYESRUAJAJU-HXUWFJFHSA-N 2 1 347.503 1.718 20 0 EDADMP CC(C)c1ncc2c(n1)CC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000623238929 450462026 /nfs/dbraw/zinc/46/20/26/450462026.db2.gz YIBKGMRCHDRMOO-CQSZACIVSA-N 2 1 331.464 1.155 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000623404196 450515777 /nfs/dbraw/zinc/51/57/77/450515777.db2.gz UHYTYAXFTAETGV-BRWVUGGUSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)[NH+]1CCSCC1 ZINC000621107550 450581872 /nfs/dbraw/zinc/58/18/72/450581872.db2.gz IHMDSFDZDVJUHH-GDBMZVCRSA-N 2 1 325.522 1.662 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)[NH+]1CCSCC1 ZINC000621107550 450581874 /nfs/dbraw/zinc/58/18/74/450581874.db2.gz IHMDSFDZDVJUHH-GDBMZVCRSA-N 2 1 325.522 1.662 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCC[NH+]1C ZINC000623890788 450626407 /nfs/dbraw/zinc/62/64/07/450626407.db2.gz WTAHZMRIPROUPK-CGTJXYLNSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000623890788 450626411 /nfs/dbraw/zinc/62/64/11/450626411.db2.gz WTAHZMRIPROUPK-CGTJXYLNSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000623890788 450626413 /nfs/dbraw/zinc/62/64/13/450626413.db2.gz WTAHZMRIPROUPK-CGTJXYLNSA-N 2 1 330.476 1.900 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627332495 450654532 /nfs/dbraw/zinc/65/45/32/450654532.db2.gz BHTOVMXJJBFLQS-ARFHVFGLSA-N 2 1 338.496 1.014 20 0 EDADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000624120836 450715384 /nfs/dbraw/zinc/71/53/84/450715384.db2.gz HYNHQXYQLYRUHK-SFHVURJKSA-N 2 1 338.540 1.105 20 0 EDADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)CCOCC[NH3+] ZINC000629578394 450745420 /nfs/dbraw/zinc/74/54/20/450745420.db2.gz BTUIJGXOCOZRMW-KGLIPLIRSA-N 2 1 325.478 1.707 20 0 EDADMP C[C@@H](CNS(=O)(=O)CCC[NH+]1CCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000631748922 450748612 /nfs/dbraw/zinc/74/86/12/450748612.db2.gz LSLMFPYTOSYXSV-HOTGVXAUSA-N 2 1 331.526 1.512 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000621511208 450751624 /nfs/dbraw/zinc/75/16/24/450751624.db2.gz QLYARYBPSNYBLR-QGZVFWFLSA-N 2 1 336.455 1.437 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN(CCc2cnccn2)CC1 ZINC000633251406 450757784 /nfs/dbraw/zinc/75/77/84/450757784.db2.gz SHYWZGMWKWFRFK-MRXNPFEDSA-N 2 1 348.495 1.075 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)Cc1c(C(C)C)nc2sc(C)nn12 ZINC000629653171 450771652 /nfs/dbraw/zinc/77/16/52/450771652.db2.gz HJENUWPKRQVODL-UHFFFAOYSA-N 2 1 325.482 1.890 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)Cc1c(C(C)C)nc2sc(C)nn12 ZINC000629653171 450771658 /nfs/dbraw/zinc/77/16/58/450771658.db2.gz HJENUWPKRQVODL-UHFFFAOYSA-N 2 1 325.482 1.890 20 0 EDADMP COc1ccc(CN(C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C2CC2)cc1 ZINC000631843327 450812967 /nfs/dbraw/zinc/81/29/67/450812967.db2.gz MIRJRIFGQPNHEI-GDBMZVCRSA-N 2 1 331.460 1.713 20 0 EDADMP COc1ccc(CN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C2CC2)cc1 ZINC000631843327 450812969 /nfs/dbraw/zinc/81/29/69/450812969.db2.gz MIRJRIFGQPNHEI-GDBMZVCRSA-N 2 1 331.460 1.713 20 0 EDADMP C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000635286788 450817545 /nfs/dbraw/zinc/81/75/45/450817545.db2.gz GNTHJFNJCFPLRW-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP O=C(CC[C@H]1CCC[NH2+]C1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000621668401 450824113 /nfs/dbraw/zinc/82/41/13/450824113.db2.gz DOBUXUUJAXJNCH-VQIMIIECSA-N 2 1 345.487 1.649 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000635312716 450836539 /nfs/dbraw/zinc/83/65/39/450836539.db2.gz NYVZRUPGAWWNED-LJQANCHMSA-N 2 1 344.503 1.392 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000635312716 450836543 /nfs/dbraw/zinc/83/65/43/450836543.db2.gz NYVZRUPGAWWNED-LJQANCHMSA-N 2 1 344.503 1.392 20 0 EDADMP CN1CC[NH+](Cc2ccc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000635312716 450836550 /nfs/dbraw/zinc/83/65/50/450836550.db2.gz NYVZRUPGAWWNED-LJQANCHMSA-N 2 1 344.503 1.392 20 0 EDADMP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000624347642 450802059 /nfs/dbraw/zinc/80/20/59/450802059.db2.gz VRODPZWESHFRKF-FRRDWIJNSA-N 2 1 327.436 1.184 20 0 EDADMP C[N@@H+](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1)C1CCC1 ZINC000629975448 450929021 /nfs/dbraw/zinc/92/90/21/450929021.db2.gz QHYNHBWHSWYPCQ-JWTNVVGKSA-N 2 1 334.508 1.240 20 0 EDADMP C[NH+](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCC1 ZINC000629975448 450929026 /nfs/dbraw/zinc/92/90/26/450929026.db2.gz QHYNHBWHSWYPCQ-JWTNVVGKSA-N 2 1 334.508 1.240 20 0 EDADMP C[NH+](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCC1 ZINC000629975448 450929030 /nfs/dbraw/zinc/92/90/30/450929030.db2.gz QHYNHBWHSWYPCQ-JWTNVVGKSA-N 2 1 334.508 1.240 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3CC)c2C1 ZINC000626865651 450969345 /nfs/dbraw/zinc/96/93/45/450969345.db2.gz RJGFBYNWHIVMKS-DOTOQJQBSA-N 2 1 344.459 1.607 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3CC)c2C1 ZINC000626865651 450969353 /nfs/dbraw/zinc/96/93/53/450969353.db2.gz RJGFBYNWHIVMKS-DOTOQJQBSA-N 2 1 344.459 1.607 20 0 EDADMP C[C@H]1CC[C@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000626935066 451017879 /nfs/dbraw/zinc/01/78/79/451017879.db2.gz WMWJCQOQVDNENZ-YJBOKZPZSA-N 2 1 330.476 1.875 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626946795 451025304 /nfs/dbraw/zinc/02/53/04/451025304.db2.gz AWVDEDFBTQXMBV-CQSZACIVSA-N 2 1 326.485 1.304 20 0 EDADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635559150 451057240 /nfs/dbraw/zinc/05/72/40/451057240.db2.gz FREMAFUVQCDVCN-WMZOPIPTSA-N 2 1 336.524 1.393 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635559150 451057245 /nfs/dbraw/zinc/05/72/45/451057245.db2.gz FREMAFUVQCDVCN-WMZOPIPTSA-N 2 1 336.524 1.393 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635559150 451057249 /nfs/dbraw/zinc/05/72/49/451057249.db2.gz FREMAFUVQCDVCN-WMZOPIPTSA-N 2 1 336.524 1.393 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000635559859 451057366 /nfs/dbraw/zinc/05/73/66/451057366.db2.gz UHVKGXKLDYKHAB-UHFFFAOYSA-N 2 1 347.463 1.374 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000626993702 451060181 /nfs/dbraw/zinc/06/01/81/451060181.db2.gz KYMAZTCFMNAZLV-SJLPKXTDSA-N 2 1 348.491 1.514 20 0 EDADMP CCn1ncc(Cl)c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000622137575 451063230 /nfs/dbraw/zinc/06/32/30/451063230.db2.gz IRBIBEARWIKNIS-LBPRGKRZSA-N 2 1 329.876 1.558 20 0 EDADMP CCn1ncc(Cl)c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000622137575 451063235 /nfs/dbraw/zinc/06/32/35/451063235.db2.gz IRBIBEARWIKNIS-LBPRGKRZSA-N 2 1 329.876 1.558 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N(C)CCOCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000626998486 451063997 /nfs/dbraw/zinc/06/39/97/451063997.db2.gz OATUFMIWEXIENJ-NVXWUHKLSA-N 2 1 334.464 1.266 20 0 EDADMP CN(CCOCC[NH3+])C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000627027386 451088452 /nfs/dbraw/zinc/08/84/52/451088452.db2.gz ONXNFSFBIHLULG-MRXNPFEDSA-N 2 1 326.485 1.400 20 0 EDADMP [NH3+]C1(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCOCC1 ZINC000627027085 451088958 /nfs/dbraw/zinc/08/89/58/451088958.db2.gz IIAPHKSRYDSROG-INIZCTEOSA-N 2 1 338.496 1.591 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCCOCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000627038725 451095565 /nfs/dbraw/zinc/09/55/65/451095565.db2.gz LZHNOGUJBAIELE-RDJZCZTQSA-N 2 1 334.464 1.314 20 0 EDADMP C[C@@H](NS(=O)(=O)CCC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000632197337 451107543 /nfs/dbraw/zinc/10/75/43/451107543.db2.gz PCMHZIVWEZMIAK-HUUCEWRRSA-N 2 1 331.526 1.511 20 0 EDADMP CCO[C@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)C1CC1 ZINC000625023385 451116314 /nfs/dbraw/zinc/11/63/14/451116314.db2.gz FAVBFDJJHYBRCL-SJORKVTESA-N 2 1 325.497 1.676 20 0 EDADMP Cc1ccc(NCCCNC(=O)C(C)(C)C[NH+]2CCOCC2)[nH+]c1 ZINC000635643609 451130707 /nfs/dbraw/zinc/13/07/07/451130707.db2.gz GTJQLSYNKBGUDK-UHFFFAOYSA-N 2 1 334.464 1.667 20 0 EDADMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc4n[nH]cc43)CC2)CC1 ZINC000628277669 451208234 /nfs/dbraw/zinc/20/82/34/451208234.db2.gz CRNDOQQTZSRPDG-UHFFFAOYSA-N 2 1 341.459 1.549 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)c2oc(C[NH3+])cc2C)[C@H](C)C1 ZINC000638118267 451285745 /nfs/dbraw/zinc/28/57/45/451285745.db2.gz WJQLECZNKFEYJG-GDBMZVCRSA-N 2 1 337.464 1.914 20 0 EDADMP CC(C)(C)[C@]1(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC[NH+](Cc2ccccc2)C1 ZINC000638096208 451260627 /nfs/dbraw/zinc/26/06/27/451260627.db2.gz ZJQYXVRTVZCDFS-WSTZPKSXSA-N 2 1 332.488 1.962 20 0 EDADMP CC(C)(C)[C@]1(C[NH+]2C[C@@H](O)[C@@H](O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000638096208 451260631 /nfs/dbraw/zinc/26/06/31/451260631.db2.gz ZJQYXVRTVZCDFS-WSTZPKSXSA-N 2 1 332.488 1.962 20 0 EDADMP CC(C)(C)[C@]1(C[NH+]2C[C@@H](O)[C@@H](O)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000638096208 451260633 /nfs/dbraw/zinc/26/06/33/451260633.db2.gz ZJQYXVRTVZCDFS-WSTZPKSXSA-N 2 1 332.488 1.962 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638096966 451261659 /nfs/dbraw/zinc/26/16/59/451261659.db2.gz OQGDTXOSHUCDCO-WDEREUQCSA-N 2 1 344.410 1.210 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccc4ncccc4c3)nn2)CC1 ZINC000630597620 451270205 /nfs/dbraw/zinc/27/02/05/451270205.db2.gz JTNMFHNOCZCPDN-UHFFFAOYSA-N 2 1 336.443 1.840 20 0 EDADMP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000638120766 451289760 /nfs/dbraw/zinc/28/97/60/451289760.db2.gz GEJUFQLFNQZTCO-YOEHRIQHSA-N 2 1 346.475 1.789 20 0 EDADMP C[NH+](C)CCCC1CC[NH+](Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638121341 451290284 /nfs/dbraw/zinc/29/02/84/451290284.db2.gz KTJPJJSROJDPPS-UHFFFAOYSA-N 2 1 345.534 1.949 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)cn2)CC1 ZINC000636596286 451335889 /nfs/dbraw/zinc/33/58/89/451335889.db2.gz LPPUDXHZJOCBQH-DLBZAZTESA-N 2 1 346.479 1.898 20 0 EDADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638126297 451296958 /nfs/dbraw/zinc/29/69/58/451296958.db2.gz SXNLAHIZGXUFPB-MOPGFXCFSA-N 2 1 346.519 1.636 20 0 EDADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638126297 451296966 /nfs/dbraw/zinc/29/69/66/451296966.db2.gz SXNLAHIZGXUFPB-MOPGFXCFSA-N 2 1 346.519 1.636 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cncc(N(C)C)c1 ZINC000640432588 451311468 /nfs/dbraw/zinc/31/14/68/451311468.db2.gz YFLRNHBOJQNBNW-AWEZNQCLSA-N 2 1 336.484 1.541 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cncc(N(C)C)c1 ZINC000640432588 451311475 /nfs/dbraw/zinc/31/14/75/451311475.db2.gz YFLRNHBOJQNBNW-AWEZNQCLSA-N 2 1 336.484 1.541 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000638141809 451316403 /nfs/dbraw/zinc/31/64/03/451316403.db2.gz IGHHKNHQPDQAJO-RBUKOAKNSA-N 2 1 344.503 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000638141809 451316408 /nfs/dbraw/zinc/31/64/08/451316408.db2.gz IGHHKNHQPDQAJO-RBUKOAKNSA-N 2 1 344.503 1.436 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638213781 451358731 /nfs/dbraw/zinc/35/87/31/451358731.db2.gz OZMHMBTYWDRUHG-IMFGXOCKSA-N 2 1 345.487 1.639 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000630750006 451383221 /nfs/dbraw/zinc/38/32/21/451383221.db2.gz MGVBBKPQZLLGIQ-CALCHBBNSA-N 2 1 349.523 1.933 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2cc(C[NH+](C)C)ccn2)C1 ZINC000640556610 451403805 /nfs/dbraw/zinc/40/38/05/451403805.db2.gz LLEHIGRUWRNDKS-INIZCTEOSA-N 2 1 349.479 1.622 20 0 EDADMP C[NH+](C)Cc1ccnc(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000640574637 451419329 /nfs/dbraw/zinc/41/93/29/451419329.db2.gz HNERPDIGQMISBA-HNNXBMFYSA-N 2 1 335.452 1.112 20 0 EDADMP C[C@H]1C[C@@H](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000638307439 451420992 /nfs/dbraw/zinc/42/09/92/451420992.db2.gz BJKRVYHQWCCUSP-XOYOTBSWSA-N 2 1 331.460 1.520 20 0 EDADMP COCC(=O)Nc1cccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638329463 451437133 /nfs/dbraw/zinc/43/71/33/451437133.db2.gz SHFYSHMGXIKROF-UHFFFAOYSA-N 2 1 349.475 1.596 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(CC2CC2)c1 ZINC000630879231 451457485 /nfs/dbraw/zinc/45/74/85/451457485.db2.gz HDPCLLZJZXCQNP-SFHVURJKSA-N 2 1 347.507 1.781 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C(F)F)c1 ZINC000630879606 451458879 /nfs/dbraw/zinc/45/88/79/451458879.db2.gz KMINQXPTVDKTSM-CQSZACIVSA-N 2 1 343.422 1.766 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](OC)C2CCOCC2)CC1 ZINC000638359342 451459116 /nfs/dbraw/zinc/45/91/16/451459116.db2.gz KETXKWMYYWWOTI-GOSISDBHSA-N 2 1 327.513 1.435 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000638383346 451476561 /nfs/dbraw/zinc/47/65/61/451476561.db2.gz GWVPMCMDUSEMMJ-SCTDSRPQSA-N 2 1 330.476 1.033 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H](C)N1CCOCC1 ZINC000634703027 451478530 /nfs/dbraw/zinc/47/85/30/451478530.db2.gz ONMWMSWAVCDIDR-BJLQDIEVSA-N 2 1 347.503 1.322 20 0 EDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H](C)N1CCOCC1 ZINC000634703027 451478536 /nfs/dbraw/zinc/47/85/36/451478536.db2.gz ONMWMSWAVCDIDR-BJLQDIEVSA-N 2 1 347.503 1.322 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)CC(C)(C)C ZINC000638386583 451479825 /nfs/dbraw/zinc/47/98/25/451479825.db2.gz NPLQHVAPLGKITD-ARFHVFGLSA-N 2 1 325.497 1.709 20 0 EDADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634705484 451482327 /nfs/dbraw/zinc/48/23/27/451482327.db2.gz BHJYWWJRYPVJHJ-QZTJIDSGSA-N 2 1 328.497 1.377 20 0 EDADMP O[C@]1(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634709325 451487961 /nfs/dbraw/zinc/48/79/61/451487961.db2.gz HMFJYTVSEFWPIY-AABGKKOBSA-N 2 1 346.471 1.551 20 0 EDADMP O[C@]1(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709325 451487967 /nfs/dbraw/zinc/48/79/67/451487967.db2.gz HMFJYTVSEFWPIY-AABGKKOBSA-N 2 1 346.471 1.551 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2)[NH+](C)C ZINC000636073100 451488502 /nfs/dbraw/zinc/48/85/02/451488502.db2.gz IGODEPWFMCUPSY-ILZDJORESA-N 2 1 345.487 1.591 20 0 EDADMP CO[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000634649879 451445016 /nfs/dbraw/zinc/44/50/16/451445016.db2.gz WUPZOWQKEZHDNU-GUDVDZBRSA-N 2 1 334.460 1.265 20 0 EDADMP CO[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000634649879 451445022 /nfs/dbraw/zinc/44/50/22/451445022.db2.gz WUPZOWQKEZHDNU-GUDVDZBRSA-N 2 1 334.460 1.265 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000638412291 451497773 /nfs/dbraw/zinc/49/77/73/451497773.db2.gz WUYVIQIROKKXIH-DXCKQFNASA-N 2 1 337.414 1.868 20 0 EDADMP OC1CC[NH+](CCCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634718677 451498231 /nfs/dbraw/zinc/49/82/31/451498231.db2.gz HQJMXTPECIIAEB-FQEVSTJZSA-N 2 1 347.503 1.060 20 0 EDADMP OCc1ccc(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000634720085 451499328 /nfs/dbraw/zinc/49/93/28/451499328.db2.gz DOYXXXDQAQOAKX-NRFANRHFSA-N 2 1 340.467 1.948 20 0 EDADMP OCc1ccc(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000634720085 451499336 /nfs/dbraw/zinc/49/93/36/451499336.db2.gz DOYXXXDQAQOAKX-NRFANRHFSA-N 2 1 340.467 1.948 20 0 EDADMP CO[C@]1(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CCOC1 ZINC000638421703 451505608 /nfs/dbraw/zinc/50/56/08/451505608.db2.gz ZFIIGNWSJSYRDZ-APWZRJJASA-N 2 1 334.460 1.802 20 0 EDADMP CO[C@]1(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CCOC1 ZINC000638421703 451505613 /nfs/dbraw/zinc/50/56/13/451505613.db2.gz ZFIIGNWSJSYRDZ-APWZRJJASA-N 2 1 334.460 1.802 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000634760757 451531992 /nfs/dbraw/zinc/53/19/92/451531992.db2.gz LLDJYACEXCBQAM-WBVHZDCISA-N 2 1 330.476 1.940 20 0 EDADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000634760757 451531993 /nfs/dbraw/zinc/53/19/93/451531993.db2.gz LLDJYACEXCBQAM-WBVHZDCISA-N 2 1 330.476 1.940 20 0 EDADMP CCC1([NH+]2CCCC2)CCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000634998579 451641078 /nfs/dbraw/zinc/64/10/78/451641078.db2.gz HRQVLUGSSCLNQZ-KRWDZBQOSA-N 2 1 336.524 1.524 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632904169 451641910 /nfs/dbraw/zinc/64/19/10/451641910.db2.gz GQBVACXFKQBBIX-IRXDYDNUSA-N 2 1 330.432 1.139 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638800537 451694640 /nfs/dbraw/zinc/69/46/40/451694640.db2.gz NBIYNNSEYVPSGZ-ZIFCJYIRSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638849719 451709075 /nfs/dbraw/zinc/70/90/75/451709075.db2.gz DZWOMWKJFNPJBX-SUMDDJOVSA-N 2 1 331.460 1.249 20 0 EDADMP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850038 451710743 /nfs/dbraw/zinc/71/07/43/451710743.db2.gz AYMDKBJGVJLHBP-MOPGFXCFSA-N 2 1 345.487 1.926 20 0 EDADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638854451 451711927 /nfs/dbraw/zinc/71/19/27/451711927.db2.gz PPAPQVUPENPSHS-UHFFFAOYSA-N 2 1 340.475 1.823 20 0 EDADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000637138555 451739047 /nfs/dbraw/zinc/73/90/47/451739047.db2.gz QLGAKEUYQLRYTD-RYRKJORJSA-N 2 1 348.491 1.352 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn([C@@H]3CCc4ccc(F)cc43)nn2)CC1 ZINC000641136153 451758934 /nfs/dbraw/zinc/75/89/34/451758934.db2.gz GFHAOBVGKSUTHM-GOSISDBHSA-N 2 1 329.423 1.918 20 0 EDADMP CO[C@]1(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCOC1 ZINC000639074873 451761898 /nfs/dbraw/zinc/76/18/98/451761898.db2.gz DBJZFLLPIDNNCY-MOPGFXCFSA-N 2 1 334.460 1.361 20 0 EDADMP CO[C@]1(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCOC1 ZINC000639074873 451761900 /nfs/dbraw/zinc/76/19/00/451761900.db2.gz DBJZFLLPIDNNCY-MOPGFXCFSA-N 2 1 334.460 1.361 20 0 EDADMP CO[C@]1(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000639074873 451761903 /nfs/dbraw/zinc/76/19/03/451761903.db2.gz DBJZFLLPIDNNCY-MOPGFXCFSA-N 2 1 334.460 1.361 20 0 EDADMP CO[C@]1(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000639074873 451761906 /nfs/dbraw/zinc/76/19/06/451761906.db2.gz DBJZFLLPIDNNCY-MOPGFXCFSA-N 2 1 334.460 1.361 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CCO1 ZINC000646846778 451884206 /nfs/dbraw/zinc/88/42/06/451884206.db2.gz WFFXSQYKAYZPJT-NILFDRSVSA-N 2 1 325.840 1.517 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+]CC3(C)C)cc2F)CC1 ZINC000649273568 451945203 /nfs/dbraw/zinc/94/52/03/451945203.db2.gz UKMKSGCONSZWAR-UHFFFAOYSA-N 2 1 348.466 1.792 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649288463 451962141 /nfs/dbraw/zinc/96/21/41/451962141.db2.gz SBQHXMFZZCZUEB-QFBILLFUSA-N 2 1 345.487 1.771 20 0 EDADMP COC[C@@]1(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000649307471 451984799 /nfs/dbraw/zinc/98/47/99/451984799.db2.gz RNCWZUYEZIWVFX-RVKKMQEKSA-N 2 1 325.497 1.628 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CCC[C@@H]3C[NH3+])c2)CCO1 ZINC000649308080 451985047 /nfs/dbraw/zinc/98/50/47/451985047.db2.gz JFMKDVCWGBZLGB-LZQZEXGQSA-N 2 1 345.487 1.899 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCC[C@@H]3C[NH3+])c2)CCO1 ZINC000649308080 451985048 /nfs/dbraw/zinc/98/50/48/451985048.db2.gz JFMKDVCWGBZLGB-LZQZEXGQSA-N 2 1 345.487 1.899 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C3CC[NH2+]CC3)cc2)CC1 ZINC000649308744 451986237 /nfs/dbraw/zinc/98/62/37/451986237.db2.gz YRMHICYHCXJVDJ-UHFFFAOYSA-N 2 1 344.459 1.402 20 0 EDADMP Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)nnn1C(C)C ZINC000644795771 451993917 /nfs/dbraw/zinc/99/39/17/451993917.db2.gz QQZFMQOAUVQJMQ-INIZCTEOSA-N 2 1 348.495 1.408 20 0 EDADMP Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)nnn1C(C)C ZINC000644795771 451993920 /nfs/dbraw/zinc/99/39/20/451993920.db2.gz QQZFMQOAUVQJMQ-INIZCTEOSA-N 2 1 348.495 1.408 20 0 EDADMP COC[C@@]1(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000649317593 451996670 /nfs/dbraw/zinc/99/66/70/451996670.db2.gz GGKDSJDXDKVPAP-CRAIPNDOSA-N 2 1 335.448 1.610 20 0 EDADMP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1cnn(C3CC[NH+](C)CC3)c1)CC2 ZINC000637666844 452008006 /nfs/dbraw/zinc/00/80/06/452008006.db2.gz HFRRGAPPXUHQLR-WBVHZDCISA-N 2 1 346.479 1.850 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000643057569 452027662 /nfs/dbraw/zinc/02/76/62/452027662.db2.gz RDHOYZSAMJPVCH-HOTGVXAUSA-N 2 1 332.448 1.227 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000643057569 452027667 /nfs/dbraw/zinc/02/76/67/452027667.db2.gz RDHOYZSAMJPVCH-HOTGVXAUSA-N 2 1 332.448 1.227 20 0 EDADMP CN(Cc1nnn(C(C)(C)C)n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000653593901 452030721 /nfs/dbraw/zinc/03/07/21/452030721.db2.gz VLMPYYQLALQNSY-OAHLLOKOSA-N 2 1 335.500 1.028 20 0 EDADMP CN(Cc1nnn(C(C)(C)C)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000653593901 452030727 /nfs/dbraw/zinc/03/07/27/452030727.db2.gz VLMPYYQLALQNSY-OAHLLOKOSA-N 2 1 335.500 1.028 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649348722 452031370 /nfs/dbraw/zinc/03/13/70/452031370.db2.gz SXJWDZSRTXNWFZ-KURKYZTESA-N 2 1 331.460 1.534 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649348722 452031373 /nfs/dbraw/zinc/03/13/73/452031373.db2.gz SXJWDZSRTXNWFZ-KURKYZTESA-N 2 1 331.460 1.534 20 0 EDADMP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000647056315 452033637 /nfs/dbraw/zinc/03/36/37/452033637.db2.gz ZVHUKGNVJKAEJZ-SJORKVTESA-N 2 1 328.460 1.552 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)C2)cc1 ZINC000637718451 452044350 /nfs/dbraw/zinc/04/43/50/452044350.db2.gz YHMMQBYBSREOLP-QYZOEREBSA-N 2 1 342.487 1.915 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3C[C@H]4CC[NH+](C)[C@H]4C3)C2)cc1 ZINC000637718451 452044354 /nfs/dbraw/zinc/04/43/54/452044354.db2.gz YHMMQBYBSREOLP-QYZOEREBSA-N 2 1 342.487 1.915 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3C[C@H]4CC[NH+](C)[C@H]4C3)C2)cc1 ZINC000637718451 452044362 /nfs/dbraw/zinc/04/43/62/452044362.db2.gz YHMMQBYBSREOLP-QYZOEREBSA-N 2 1 342.487 1.915 20 0 EDADMP CO[C@@H](C)c1nc(CN2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000649414544 452076861 /nfs/dbraw/zinc/07/68/61/452076861.db2.gz GDOLCGRVMXUHBN-LSDHHAIUSA-N 2 1 338.521 1.968 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417922 452079374 /nfs/dbraw/zinc/07/93/74/452079374.db2.gz OKPKSSZBEHSIJB-BZSNNMDCSA-N 2 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417922 452079384 /nfs/dbraw/zinc/07/93/84/452079384.db2.gz OKPKSSZBEHSIJB-BZSNNMDCSA-N 3 1 336.524 1.251 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417922 452079392 /nfs/dbraw/zinc/07/93/92/452079392.db2.gz OKPKSSZBEHSIJB-BZSNNMDCSA-N 3 1 336.524 1.251 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3nc(-c4ccccn4)no3)CC2)C1 ZINC000649420589 452081477 /nfs/dbraw/zinc/08/14/77/452081477.db2.gz CBTAOQJCCLEHDW-GDBMZVCRSA-N 2 1 343.431 1.850 20 0 EDADMP CC(C)[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H](O)CO ZINC000643296425 452122220 /nfs/dbraw/zinc/12/22/20/452122220.db2.gz VOYZLZXBGASGMV-SFHVURJKSA-N 2 1 336.476 1.725 20 0 EDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000643455481 452232579 /nfs/dbraw/zinc/23/25/79/452232579.db2.gz JYGUAGDYDPFDPV-QYZOEREBSA-N 2 1 338.540 1.293 20 0 EDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000643455481 452232583 /nfs/dbraw/zinc/23/25/83/452232583.db2.gz JYGUAGDYDPFDPV-QYZOEREBSA-N 2 1 338.540 1.293 20 0 EDADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000643472130 452238125 /nfs/dbraw/zinc/23/81/25/452238125.db2.gz UICLFQPWQCAHBM-QGTPRVQTSA-N 2 1 328.460 1.801 20 0 EDADMP O[C@H](C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000647517569 452251225 /nfs/dbraw/zinc/25/12/25/452251225.db2.gz XJTPBTZTJKJXLM-VQTJNVASSA-N 2 1 328.456 1.790 20 0 EDADMP Cc1nc([C@@H](C)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cs1 ZINC000641788355 452262012 /nfs/dbraw/zinc/26/20/12/452262012.db2.gz YTOYEKKHWSDLCT-GDBMZVCRSA-N 2 1 338.521 1.899 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655468123 452262571 /nfs/dbraw/zinc/26/25/71/452262571.db2.gz IDTVHZJIKNWZKG-ZHALLVOQSA-N 2 1 334.508 1.005 20 0 EDADMP Cc1nc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cs1 ZINC000663556993 452266404 /nfs/dbraw/zinc/26/64/04/452266404.db2.gz MXYFJHMXHPVPMP-ZDUSSCGKSA-N 2 1 341.525 1.565 20 0 EDADMP Cc1nc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cs1 ZINC000663556993 452266416 /nfs/dbraw/zinc/26/64/16/452266416.db2.gz MXYFJHMXHPVPMP-ZDUSSCGKSA-N 2 1 341.525 1.565 20 0 EDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000643508504 452275191 /nfs/dbraw/zinc/27/51/91/452275191.db2.gz UNYPFUGQJSCUNT-INIZCTEOSA-N 2 1 325.478 1.689 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000641801162 452275908 /nfs/dbraw/zinc/27/59/08/452275908.db2.gz ARRTWCNIQZXUBT-UWVGGRQHSA-N 2 1 327.226 1.498 20 0 EDADMP C[C@@H]1C[NH2+]C[C@@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000647549116 452276695 /nfs/dbraw/zinc/27/66/95/452276695.db2.gz IVYMMZUIFPHGOY-IPELMVKDSA-N 2 1 344.503 1.472 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1OC ZINC000641804213 452280342 /nfs/dbraw/zinc/28/03/42/452280342.db2.gz JPQMYXHSBLYXAT-JCURWCKSSA-N 2 1 349.475 1.905 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1c1[nH+]ccc2[nH]ccc21 ZINC000663563090 452281920 /nfs/dbraw/zinc/28/19/20/452281920.db2.gz DAJLNNJMVZKFCK-CABCVRRESA-N 2 1 329.448 1.404 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCCOc1cccc(Cl)c1 ZINC000641804572 452282775 /nfs/dbraw/zinc/28/27/75/452282775.db2.gz KOYSMLSPCJGLDU-KBPBESRZSA-N 2 1 325.840 1.550 20 0 EDADMP C[C@H](CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000655488396 452284021 /nfs/dbraw/zinc/28/40/21/452284021.db2.gz YQOAQEXIRNPRSX-ALYAQQCSSA-N 2 1 325.497 1.626 20 0 EDADMP C[C@H](CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000655488396 452284030 /nfs/dbraw/zinc/28/40/30/452284030.db2.gz YQOAQEXIRNPRSX-ALYAQQCSSA-N 2 1 325.497 1.626 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC[C@@H]3CCO3)CC2)CC1 ZINC000638034149 452286549 /nfs/dbraw/zinc/28/65/49/452286549.db2.gz JSJAVYWYPMFNPM-GOSISDBHSA-N 2 1 337.508 1.822 20 0 EDADMP CC(C)([NH3+])CCNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000641815509 452298090 /nfs/dbraw/zinc/29/80/90/452298090.db2.gz WAJNTVICVNXGOJ-UHFFFAOYSA-N 2 1 334.464 1.810 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[C@H]1F ZINC000659450920 452299189 /nfs/dbraw/zinc/29/91/89/452299189.db2.gz IIPNEKPNJOTDAN-KZNAEPCWSA-N 2 1 348.466 1.632 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659455419 452304513 /nfs/dbraw/zinc/30/45/13/452304513.db2.gz YWAMGBUXCYOPAT-IAGOWNOFSA-N 2 1 348.516 1.480 20 0 EDADMP O=C(NCCC1CC[NH2+]CC1)NCC[N@H+]1CCc2ccccc2C1 ZINC000652127244 452324166 /nfs/dbraw/zinc/32/41/66/452324166.db2.gz JFPNJLXRUWLJIC-UHFFFAOYSA-N 2 1 330.476 1.734 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000659471214 452328511 /nfs/dbraw/zinc/32/85/11/452328511.db2.gz QSYDEVVKLBGSQL-DDBAPUKQSA-N 2 1 346.475 1.150 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659471214 452328519 /nfs/dbraw/zinc/32/85/19/452328519.db2.gz QSYDEVVKLBGSQL-DDBAPUKQSA-N 2 1 346.475 1.150 20 0 EDADMP CCO[C@@H]1CN(C(=O)NCC[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652137618 452331991 /nfs/dbraw/zinc/33/19/91/452331991.db2.gz RDDXOGJARFSLAT-IAGOWNOFSA-N 2 1 334.464 1.124 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1(CO)CCCCC1 ZINC000665759728 452332933 /nfs/dbraw/zinc/33/29/33/452332933.db2.gz NLXUFTGEPPBRNJ-INIZCTEOSA-N 2 1 342.528 1.500 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1(CO)CCCCC1 ZINC000665759728 452332944 /nfs/dbraw/zinc/33/29/44/452332944.db2.gz NLXUFTGEPPBRNJ-INIZCTEOSA-N 2 1 342.528 1.500 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](CO)C1CCCC1 ZINC000665762466 452340146 /nfs/dbraw/zinc/34/01/46/452340146.db2.gz FIXDSGJPSPCQBX-HOCLYGCPSA-N 2 1 328.501 1.109 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000665763695 452350129 /nfs/dbraw/zinc/35/01/29/452350129.db2.gz JGOGSNLMZJIFIE-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000665763695 452350132 /nfs/dbraw/zinc/35/01/32/452350132.db2.gz JGOGSNLMZJIFIE-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP C[N@@H+](CCNC(=O)NCCC1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000652164472 452359618 /nfs/dbraw/zinc/35/96/18/452359618.db2.gz PRZBTAVMVAAEEL-UHFFFAOYSA-N 2 1 336.455 1.946 20 0 EDADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000638065143 452367848 /nfs/dbraw/zinc/36/78/48/452367848.db2.gz RDCNBDXIRVPFBX-YLJYHZDGSA-N 2 1 345.487 1.707 20 0 EDADMP C[C@H](CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000638081268 452397833 /nfs/dbraw/zinc/39/78/33/452397833.db2.gz WHDRQXBBMCOVAU-MRXNPFEDSA-N 3 1 332.492 1.436 20 0 EDADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000659551366 452407064 /nfs/dbraw/zinc/40/70/64/452407064.db2.gz BBXMJUVUDKMKPV-FGTMMUONSA-N 2 1 346.475 1.180 20 0 EDADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000659551367 452407178 /nfs/dbraw/zinc/40/71/78/452407178.db2.gz BBXMJUVUDKMKPV-KURKYZTESA-N 2 1 346.475 1.180 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654377280 452427124 /nfs/dbraw/zinc/42/71/24/452427124.db2.gz GOFHFWCOLPZRNG-YESZJQIVSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654377280 452427130 /nfs/dbraw/zinc/42/71/30/452427130.db2.gz GOFHFWCOLPZRNG-YESZJQIVSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654377280 452427134 /nfs/dbraw/zinc/42/71/34/452427134.db2.gz GOFHFWCOLPZRNG-YESZJQIVSA-N 2 1 338.496 1.101 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000645472211 452442617 /nfs/dbraw/zinc/44/26/17/452442617.db2.gz JVAUWXJPACHUKP-GOSISDBHSA-N 2 1 331.460 1.408 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659621450 452479419 /nfs/dbraw/zinc/47/94/19/452479419.db2.gz FITCQYFTZMPAQM-IAGOWNOFSA-N 2 1 339.528 1.170 20 0 EDADMP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659621450 452479427 /nfs/dbraw/zinc/47/94/27/452479427.db2.gz FITCQYFTZMPAQM-IAGOWNOFSA-N 2 1 339.528 1.170 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659623462 452480545 /nfs/dbraw/zinc/48/05/45/452480545.db2.gz HKWMEPVFIIHDES-IAGOWNOFSA-N 3 1 341.544 1.417 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654440364 452501399 /nfs/dbraw/zinc/50/13/99/452501399.db2.gz GVWICVKDZNGGTN-GJZGRUSLSA-N 2 1 326.510 1.351 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654440364 452501407 /nfs/dbraw/zinc/50/14/07/452501407.db2.gz GVWICVKDZNGGTN-GJZGRUSLSA-N 2 1 326.510 1.351 20 0 EDADMP Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347111 452522154 /nfs/dbraw/zinc/52/21/54/452522154.db2.gz RUDGFSBRJVALCC-IPMKNSEASA-N 2 1 345.487 1.830 20 0 EDADMP O=C1c2ccccc2C(=O)N1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655700635 452522592 /nfs/dbraw/zinc/52/25/92/452522592.db2.gz KGKIUAWRNMQAMW-HNNXBMFYSA-N 2 1 343.427 1.126 20 0 EDADMP CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347963 452523132 /nfs/dbraw/zinc/52/31/32/452523132.db2.gz QCSWQDUEURLIOJ-AVGNSLFASA-N 2 1 337.386 1.225 20 0 EDADMP CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347963 452523140 /nfs/dbraw/zinc/52/31/40/452523140.db2.gz QCSWQDUEURLIOJ-AVGNSLFASA-N 2 1 337.386 1.225 20 0 EDADMP C([C@@H]1CCOC1)[NH+]1CCC([NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655725944 452538950 /nfs/dbraw/zinc/53/89/50/452538950.db2.gz NZRYTVBKGLOFNE-QFBILLFUSA-N 2 1 337.508 1.330 20 0 EDADMP O=C(CC1CCCCC1)NCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655729216 452541222 /nfs/dbraw/zinc/54/12/22/452541222.db2.gz DSPCDSOPUFPOOS-SFHVURJKSA-N 2 1 337.508 1.916 20 0 EDADMP Cc1ccoc1C(=O)NCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655730433 452543056 /nfs/dbraw/zinc/54/30/56/452543056.db2.gz SIYGBQNFXHRHFJ-QGZVFWFLSA-N 2 1 349.475 1.941 20 0 EDADMP Cc1cccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652362360 452545066 /nfs/dbraw/zinc/54/50/66/452545066.db2.gz FKXWGMPILRHQCW-QRVBRYPASA-N 2 1 345.487 1.972 20 0 EDADMP CC[C@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000661757179 452557314 /nfs/dbraw/zinc/55/73/14/452557314.db2.gz FRULWIJMTYJBEI-KRWDZBQOSA-N 2 1 337.508 1.916 20 0 EDADMP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000647834266 452567975 /nfs/dbraw/zinc/56/79/75/452567975.db2.gz ZACXXSAEFXTLFO-HKUYNNGSSA-N 2 1 344.503 1.355 20 0 EDADMP CC(C)C[C@H](NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647834843 452568297 /nfs/dbraw/zinc/56/82/97/452568297.db2.gz BHBRYQLJVGHBJE-IBGZPJMESA-N 2 1 346.519 1.727 20 0 EDADMP CC(C)C[C@H](NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647834843 452568307 /nfs/dbraw/zinc/56/83/07/452568307.db2.gz BHBRYQLJVGHBJE-IBGZPJMESA-N 2 1 346.519 1.727 20 0 EDADMP OCC[N@@H+]1CCCC[C@H]1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772486 452568603 /nfs/dbraw/zinc/56/86/03/452568603.db2.gz XEBZFSARIPKQDR-ROUUACIJSA-N 2 1 325.497 1.066 20 0 EDADMP OCC[N@H+]1CCCC[C@H]1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772486 452568606 /nfs/dbraw/zinc/56/86/06/452568606.db2.gz XEBZFSARIPKQDR-ROUUACIJSA-N 2 1 325.497 1.066 20 0 EDADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000647835757 452572970 /nfs/dbraw/zinc/57/29/70/452572970.db2.gz MYOGNHRFKTZUSA-IBGZPJMESA-N 2 1 330.476 1.091 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000647835757 452572975 /nfs/dbraw/zinc/57/29/75/452572975.db2.gz MYOGNHRFKTZUSA-IBGZPJMESA-N 2 1 330.476 1.091 20 0 EDADMP CC(C)[N@H+](C)CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663919478 452645183 /nfs/dbraw/zinc/64/51/83/452645183.db2.gz CKCQDYQMMIUSHX-HZPDHXFCSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663919478 452645191 /nfs/dbraw/zinc/64/51/91/452645191.db2.gz CKCQDYQMMIUSHX-HZPDHXFCSA-N 2 1 338.496 1.269 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000647960760 452705811 /nfs/dbraw/zinc/70/58/11/452705811.db2.gz HITIOWHUCSBSTM-ZACQAIPSSA-N 2 1 327.513 1.704 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000647960760 452705818 /nfs/dbraw/zinc/70/58/18/452705818.db2.gz HITIOWHUCSBSTM-ZACQAIPSSA-N 2 1 327.513 1.704 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000647960760 452705828 /nfs/dbraw/zinc/70/58/28/452705828.db2.gz HITIOWHUCSBSTM-ZACQAIPSSA-N 2 1 327.513 1.704 20 0 EDADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000647960760 452705834 /nfs/dbraw/zinc/70/58/34/452705834.db2.gz HITIOWHUCSBSTM-ZACQAIPSSA-N 2 1 327.513 1.704 20 0 EDADMP Cn1ncc2c1nc(C[N@@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)[nH]c2=O ZINC000647975594 452719780 /nfs/dbraw/zinc/71/97/80/452719780.db2.gz CLHMYBMOBYACJO-QWHCGFSZSA-N 2 1 330.436 1.281 20 0 EDADMP Cn1ncc2c1nc(C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)[nH]c2=O ZINC000647975594 452719788 /nfs/dbraw/zinc/71/97/88/452719788.db2.gz CLHMYBMOBYACJO-QWHCGFSZSA-N 2 1 330.436 1.281 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652763 452755339 /nfs/dbraw/zinc/75/53/39/452755339.db2.gz QRXDZPMWZWQFCD-UHDSXZAQSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652763 452755345 /nfs/dbraw/zinc/75/53/45/452755345.db2.gz QRXDZPMWZWQFCD-UHDSXZAQSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652763 452755349 /nfs/dbraw/zinc/75/53/49/452755349.db2.gz QRXDZPMWZWQFCD-UHDSXZAQSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652763 452755357 /nfs/dbraw/zinc/75/53/57/452755357.db2.gz QRXDZPMWZWQFCD-UHDSXZAQSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652683375 452833239 /nfs/dbraw/zinc/83/32/39/452833239.db2.gz LYVSBOHWYJYSFP-HNNXBMFYSA-N 2 1 338.496 1.002 20 0 EDADMP CC1(C)CN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@H+]1CCO ZINC000654734980 452859763 /nfs/dbraw/zinc/85/97/63/452859763.db2.gz ODNIYQFSRWSEBE-CVEARBPZSA-N 2 1 338.496 1.101 20 0 EDADMP CC1(C)CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH+]1CCO ZINC000654734980 452859769 /nfs/dbraw/zinc/85/97/69/452859769.db2.gz ODNIYQFSRWSEBE-CVEARBPZSA-N 2 1 338.496 1.101 20 0 EDADMP CC1(C)CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH+]1CCO ZINC000654734980 452859774 /nfs/dbraw/zinc/85/97/74/452859774.db2.gz ODNIYQFSRWSEBE-CVEARBPZSA-N 2 1 338.496 1.101 20 0 EDADMP CC[N@@H+](CCCNC(=O)C(=O)N1CCC([NH3+])CC1)C1CCCCC1 ZINC000652708626 452862644 /nfs/dbraw/zinc/86/26/44/452862644.db2.gz YFHGCGRHZSXVGW-UHFFFAOYSA-N 2 1 338.496 1.097 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705941 452944014 /nfs/dbraw/zinc/94/40/14/452944014.db2.gz ARKUNUBAFIHCTN-KSZLIROESA-N 2 1 331.460 1.765 20 0 EDADMP CC[N@@H+](CC(=O)Nc1c(F)cccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249388 452974510 /nfs/dbraw/zinc/97/45/10/452974510.db2.gz LWAZOZCONXOJSV-LBPRGKRZSA-N 2 1 339.386 1.746 20 0 EDADMP CC[N@H+](CC(=O)Nc1c(F)cccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249388 452974513 /nfs/dbraw/zinc/97/45/13/452974513.db2.gz LWAZOZCONXOJSV-LBPRGKRZSA-N 2 1 339.386 1.746 20 0 EDADMP O[C@H]1CC[N@@H+](Cc2cccc(NC3CC[NH+]([C@H]4CCOC4)CC3)c2)C1 ZINC000656260482 452994820 /nfs/dbraw/zinc/99/48/20/452994820.db2.gz PZRDOKQBLYYILB-PMACEKPBSA-N 2 1 345.487 1.918 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cnc2c(c1)COCC2 ZINC000666597046 452998867 /nfs/dbraw/zinc/99/88/67/452998867.db2.gz DFWAGRAZWLWOHV-AWEZNQCLSA-N 2 1 349.479 1.548 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cnc2c(c1)COCC2 ZINC000666597046 452998877 /nfs/dbraw/zinc/99/88/77/452998877.db2.gz DFWAGRAZWLWOHV-AWEZNQCLSA-N 2 1 349.479 1.548 20 0 EDADMP c1cc(C[N@@H+](CCN2CCOCC2)CC2CC2)c2c(c1)C[NH2+]CC2 ZINC000662315995 453032093 /nfs/dbraw/zinc/03/20/93/453032093.db2.gz TUZLYEDXWAWSRD-UHFFFAOYSA-N 2 1 329.488 1.877 20 0 EDADMP CCN(C)C(=O)CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326898 453046124 /nfs/dbraw/zinc/04/61/24/453046124.db2.gz GWYANZSWPQPVBQ-UHFFFAOYSA-N 2 1 347.507 1.925 20 0 EDADMP C[N@@H+](CCCCNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000656308223 453046254 /nfs/dbraw/zinc/04/62/54/453046254.db2.gz AJSMVNAYNRNSBD-DLBZAZTESA-N 2 1 338.496 1.101 20 0 EDADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000646066099 453079590 /nfs/dbraw/zinc/07/95/90/453079590.db2.gz LEKBOKOUCPQBDD-FUHWJXTLSA-N 2 1 332.492 1.687 20 0 EDADMP CC(C)N1CC[NH+](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000654970494 453089620 /nfs/dbraw/zinc/08/96/20/453089620.db2.gz USTYYFJICKLZOU-KRWDZBQOSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000654970494 453089635 /nfs/dbraw/zinc/08/96/35/453089635.db2.gz USTYYFJICKLZOU-KRWDZBQOSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000654970494 453089639 /nfs/dbraw/zinc/08/96/39/453089639.db2.gz USTYYFJICKLZOU-KRWDZBQOSA-N 2 1 336.524 1.345 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC[N@H+](C2CCC2)C1 ZINC000644165788 453096316 /nfs/dbraw/zinc/09/63/16/453096316.db2.gz SJIMBGLAKNVIJV-RDJZCZTQSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC[NH+](C2CCC2)C1 ZINC000644165788 453096323 /nfs/dbraw/zinc/09/63/23/453096323.db2.gz SJIMBGLAKNVIJV-RDJZCZTQSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC[NH+](C2CCC2)C1 ZINC000644165788 453096335 /nfs/dbraw/zinc/09/63/35/453096335.db2.gz SJIMBGLAKNVIJV-RDJZCZTQSA-N 2 1 334.508 1.987 20 0 EDADMP C[N@@H+]1CC[C@@H](CNC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662398871 453107806 /nfs/dbraw/zinc/10/78/06/453107806.db2.gz JWFDFUHYJJWRTM-QMMMGPOBSA-N 2 1 344.278 1.795 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662398871 453107814 /nfs/dbraw/zinc/10/78/14/453107814.db2.gz JWFDFUHYJJWRTM-QMMMGPOBSA-N 2 1 344.278 1.795 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)c1 ZINC000644192468 453122015 /nfs/dbraw/zinc/12/20/15/453122015.db2.gz FTNAZACQKDZWLF-UHFFFAOYSA-N 2 1 333.480 1.601 20 0 EDADMP CC(C)[N@H+](C)CCNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662437166 453144405 /nfs/dbraw/zinc/14/44/05/453144405.db2.gz NCAHWCLVSLEHDU-CYBMUJFWSA-N 2 1 328.254 1.905 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662437166 453144407 /nfs/dbraw/zinc/14/44/07/453144407.db2.gz NCAHWCLVSLEHDU-CYBMUJFWSA-N 2 1 328.254 1.905 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000662450553 453158148 /nfs/dbraw/zinc/15/81/48/453158148.db2.gz SNCDATIGGUBSNU-ROUUACIJSA-N 2 1 338.540 1.626 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000664537546 453177096 /nfs/dbraw/zinc/17/70/96/453177096.db2.gz OGUCXQFVBAKHRO-INIZCTEOSA-N 2 1 339.528 1.184 20 0 EDADMP c1c(CN2CC[NH2+]CC2)nnn1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000656468638 453205838 /nfs/dbraw/zinc/20/58/38/453205838.db2.gz PUKGISHBTAQNBM-SFHVURJKSA-N 2 1 340.475 1.205 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000648731130 453218895 /nfs/dbraw/zinc/21/88/95/453218895.db2.gz FDFNDCZHQBELEC-DJIMGWMZSA-N 2 1 325.497 1.580 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000648731130 453218899 /nfs/dbraw/zinc/21/88/99/453218899.db2.gz FDFNDCZHQBELEC-DJIMGWMZSA-N 2 1 325.497 1.580 20 0 EDADMP CO[C@@H]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664583653 453219542 /nfs/dbraw/zinc/21/95/42/453219542.db2.gz GCLVADHPVKZORM-ARFHVFGLSA-N 2 1 328.501 1.373 20 0 EDADMP CO[C@@H]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664583653 453219545 /nfs/dbraw/zinc/21/95/45/453219545.db2.gz GCLVADHPVKZORM-ARFHVFGLSA-N 2 1 328.501 1.373 20 0 EDADMP CO[C@H](C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000660333536 453224120 /nfs/dbraw/zinc/22/41/20/453224120.db2.gz CTEWJVMWVAXGIP-VAMGGRTRSA-N 2 1 348.487 1.607 20 0 EDADMP CO[C@H](C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000660333536 453224128 /nfs/dbraw/zinc/22/41/28/453224128.db2.gz CTEWJVMWVAXGIP-VAMGGRTRSA-N 2 1 348.487 1.607 20 0 EDADMP CO[C@H](C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000660333536 453224136 /nfs/dbraw/zinc/22/41/36/453224136.db2.gz CTEWJVMWVAXGIP-VAMGGRTRSA-N 2 1 348.487 1.607 20 0 EDADMP CO[C@H](C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000660333536 453224148 /nfs/dbraw/zinc/22/41/48/453224148.db2.gz CTEWJVMWVAXGIP-VAMGGRTRSA-N 2 1 348.487 1.607 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)C1 ZINC000646230454 453242105 /nfs/dbraw/zinc/24/21/05/453242105.db2.gz WQSOYRTWVHTQPK-GOSISDBHSA-N 2 1 345.491 1.067 20 0 EDADMP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662525922 453246964 /nfs/dbraw/zinc/24/69/64/453246964.db2.gz MFQIWPVRFYEJSC-BXUZGUMPSA-N 2 1 340.265 1.907 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662525922 453246971 /nfs/dbraw/zinc/24/69/71/453246971.db2.gz MFQIWPVRFYEJSC-BXUZGUMPSA-N 2 1 340.265 1.907 20 0 EDADMP CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CC[N@@H+](C)C1 ZINC000666927569 453255067 /nfs/dbraw/zinc/25/50/67/453255067.db2.gz SKOGQNCWKUDNIM-HNNXBMFYSA-N 2 1 334.468 1.708 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000656540528 453264758 /nfs/dbraw/zinc/26/47/58/453264758.db2.gz KPYMKUCHAIRSQH-IRXDYDNUSA-N 3 1 341.544 1.432 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000656540528 453264766 /nfs/dbraw/zinc/26/47/66/453264766.db2.gz KPYMKUCHAIRSQH-IRXDYDNUSA-N 3 1 341.544 1.432 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000656540528 453264776 /nfs/dbraw/zinc/26/47/76/453264776.db2.gz KPYMKUCHAIRSQH-IRXDYDNUSA-N 3 1 341.544 1.432 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000656540528 453264795 /nfs/dbraw/zinc/26/47/95/453264795.db2.gz KPYMKUCHAIRSQH-IRXDYDNUSA-N 3 1 341.544 1.432 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000648782142 453266359 /nfs/dbraw/zinc/26/63/59/453266359.db2.gz UOSZHVXOIAYQMD-HOTGVXAUSA-N 2 1 335.496 1.539 20 0 EDADMP [NH3+][C@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)C1CC1 ZINC000662552020 453281104 /nfs/dbraw/zinc/28/11/04/453281104.db2.gz WTSAIYJQULQYQF-MRVPVSSYSA-N 2 1 330.251 1.581 20 0 EDADMP CC1([NH3+])CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662556690 453286482 /nfs/dbraw/zinc/28/64/82/453286482.db2.gz VTUCJIYELBISNX-GFCCVEGCSA-N 2 1 326.238 1.789 20 0 EDADMP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000653107826 453292142 /nfs/dbraw/zinc/29/21/42/453292142.db2.gz ZVEQSRVGSJUZFA-RTBURBONSA-N 2 1 327.472 1.904 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000653109944 453295822 /nfs/dbraw/zinc/29/58/22/453295822.db2.gz SEUQHGKOVOIKMB-KRWDZBQOSA-N 2 1 332.492 1.219 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000664676317 453309752 /nfs/dbraw/zinc/30/97/52/453309752.db2.gz ZMQCXBRPIOGDIH-USXIJHARSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000664676317 453309760 /nfs/dbraw/zinc/30/97/60/453309760.db2.gz ZMQCXBRPIOGDIH-USXIJHARSA-N 2 1 340.512 1.515 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)(N2CCCCC2)CC1 ZINC000653124865 453318612 /nfs/dbraw/zinc/31/86/12/453318612.db2.gz JNPBVEPKHUELMU-MSOLQXFVSA-N 2 1 348.535 1.584 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000651196445 453351213 /nfs/dbraw/zinc/35/12/13/453351213.db2.gz BVTSCDPHICVGHF-IYBDPMFKSA-N 2 1 328.501 1.061 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000651196445 453351222 /nfs/dbraw/zinc/35/12/22/453351222.db2.gz BVTSCDPHICVGHF-IYBDPMFKSA-N 2 1 328.501 1.061 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000651196445 453351230 /nfs/dbraw/zinc/35/12/30/453351230.db2.gz BVTSCDPHICVGHF-IYBDPMFKSA-N 2 1 328.501 1.061 20 0 EDADMP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000653169457 453361766 /nfs/dbraw/zinc/36/17/66/453361766.db2.gz AQARVPIXICELID-URSIVYNOSA-N 2 1 328.460 1.776 20 0 EDADMP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000653169457 453361772 /nfs/dbraw/zinc/36/17/72/453361772.db2.gz AQARVPIXICELID-URSIVYNOSA-N 2 1 328.460 1.776 20 0 EDADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000655245792 453368652 /nfs/dbraw/zinc/36/86/52/453368652.db2.gz WKETXWJPLASIQE-WDYCEAGBSA-N 2 1 345.487 1.641 20 0 EDADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298319 453419083 /nfs/dbraw/zinc/41/90/83/453419083.db2.gz FEWGLELDEUINJZ-CEXWTWQISA-N 2 1 343.471 1.176 20 0 EDADMP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655298319 453419086 /nfs/dbraw/zinc/41/90/86/453419086.db2.gz FEWGLELDEUINJZ-CEXWTWQISA-N 2 1 343.471 1.176 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655298319 453419090 /nfs/dbraw/zinc/41/90/90/453419090.db2.gz FEWGLELDEUINJZ-CEXWTWQISA-N 2 1 343.471 1.176 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000662741131 453466811 /nfs/dbraw/zinc/46/68/11/453466811.db2.gz CSZFLPDPBNWBFG-GOSISDBHSA-N 2 1 344.503 1.438 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000662741131 453466815 /nfs/dbraw/zinc/46/68/15/453466815.db2.gz CSZFLPDPBNWBFG-GOSISDBHSA-N 2 1 344.503 1.438 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662748376 453478796 /nfs/dbraw/zinc/47/87/96/453478796.db2.gz RNBBSVBXYKYWPW-HOTGVXAUSA-N 2 1 348.495 1.397 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662079 453498118 /nfs/dbraw/zinc/49/81/18/453498118.db2.gz HJMXGBGUFALDMG-HXUWFJFHSA-N 2 1 340.471 1.963 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662079 453498122 /nfs/dbraw/zinc/49/81/22/453498122.db2.gz HJMXGBGUFALDMG-HXUWFJFHSA-N 2 1 340.471 1.963 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662079 453498128 /nfs/dbraw/zinc/49/81/28/453498128.db2.gz HJMXGBGUFALDMG-HXUWFJFHSA-N 2 1 340.471 1.963 20 0 EDADMP C[NH+](C)CCN1CCN(c2cc[nH+]cc2Br)CC1=O ZINC000651383083 453522823 /nfs/dbraw/zinc/52/28/23/453522823.db2.gz JAQRDOXWVHQXSY-UHFFFAOYSA-N 2 1 327.226 1.054 20 0 EDADMP C[C@@H](CNC(=O)c1cccc2c1CC[NH2+]C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833345 453559491 /nfs/dbraw/zinc/55/94/91/453559491.db2.gz NUBXXEKOFQBVQI-SOUVJXGZSA-N 2 1 331.460 1.560 20 0 EDADMP C[C@@H](CNC(=O)c1cccc2c1CC[NH2+]C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833345 453559496 /nfs/dbraw/zinc/55/94/96/453559496.db2.gz NUBXXEKOFQBVQI-SOUVJXGZSA-N 2 1 331.460 1.560 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662851604 453571972 /nfs/dbraw/zinc/57/19/72/453571972.db2.gz BXQZKCDBFBJXIY-KBPBESRZSA-N 2 1 334.468 1.195 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N(C)CCC[NH3+])cc2)C1 ZINC000667359318 453576758 /nfs/dbraw/zinc/57/67/58/453576758.db2.gz JQSVYQDVMTWDTD-HNNXBMFYSA-N 2 1 346.475 1.664 20 0 EDADMP CN(C(=O)c1cc(C(C)(C)[NH3+])no1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901663 453596282 /nfs/dbraw/zinc/59/62/82/453596282.db2.gz YBQOEWOHRPIUPU-AWEZNQCLSA-N 2 1 349.479 1.109 20 0 EDADMP CN(C(=O)c1cc(C(C)(C)[NH3+])no1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901663 453596285 /nfs/dbraw/zinc/59/62/85/453596285.db2.gz YBQOEWOHRPIUPU-AWEZNQCLSA-N 2 1 349.479 1.109 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000659092710 453626451 /nfs/dbraw/zinc/62/64/51/453626451.db2.gz YMNXOXUWWILEKF-ZDUSSCGKSA-N 2 1 344.459 1.465 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000665282888 453634695 /nfs/dbraw/zinc/63/46/95/453634695.db2.gz DLBAFDJXNSBASN-OJAHFUOMSA-N 2 1 346.519 1.145 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000665282888 453634697 /nfs/dbraw/zinc/63/46/97/453634697.db2.gz DLBAFDJXNSBASN-OJAHFUOMSA-N 2 1 346.519 1.145 20 0 EDADMP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000665289866 453637426 /nfs/dbraw/zinc/63/74/26/453637426.db2.gz ZHPCPBLVWGAANG-VQIMIIECSA-N 2 1 346.519 1.525 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000659114272 453645239 /nfs/dbraw/zinc/64/52/39/453645239.db2.gz MLIVSUJLGUAMQF-HUUCEWRRSA-N 2 1 346.475 1.581 20 0 EDADMP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000665361587 453667442 /nfs/dbraw/zinc/66/74/42/453667442.db2.gz SCQUWFNYSKLLBH-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665361587 453667447 /nfs/dbraw/zinc/66/74/47/453667447.db2.gz SCQUWFNYSKLLBH-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000665361587 453667453 /nfs/dbraw/zinc/66/74/53/453667453.db2.gz SCQUWFNYSKLLBH-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000665364414 453668195 /nfs/dbraw/zinc/66/81/95/453668195.db2.gz PPPMGTBOTKKCQK-HOTGVXAUSA-N 2 1 340.512 1.611 20 0 EDADMP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1sc2c(c1Br)C[NH2+]C2 ZINC000659313797 453711730 /nfs/dbraw/zinc/71/17/30/453711730.db2.gz PUVOYIHWXZZBJR-BQBZGAKWSA-N 2 1 348.241 1.544 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000661094330 453711734 /nfs/dbraw/zinc/71/17/34/453711734.db2.gz CUUZZHRYVKAPRR-JKSUJKDBSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000659317980 453713516 /nfs/dbraw/zinc/71/35/16/453713516.db2.gz WNTWODPBHZFOTR-ROUUACIJSA-N 2 1 349.475 1.146 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661202248 453756640 /nfs/dbraw/zinc/75/66/40/453756640.db2.gz ZSSGPASBVARJAQ-RDJZCZTQSA-N 2 1 340.512 1.659 20 0 EDADMP CCC(C)(C)[C@@H](C)[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000661233734 453768430 /nfs/dbraw/zinc/76/84/30/453768430.db2.gz IFMIRXUYZCEWOB-CVEARBPZSA-N 2 1 327.513 1.874 20 0 EDADMP c1ncc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000663510931 453812942 /nfs/dbraw/zinc/81/29/42/453812942.db2.gz IHAWFIOCJDNACL-CYBMUJFWSA-N 2 1 332.477 1.655 20 0 EDADMP CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676088893 486662528 /nfs/dbraw/zinc/66/25/28/486662528.db2.gz AWXDJXDCGWYAHW-UHFFFAOYSA-N 2 1 344.419 1.052 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673177552 486936442 /nfs/dbraw/zinc/93/64/42/486936442.db2.gz QOKGYUCLJPKKNX-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673177552 486936447 /nfs/dbraw/zinc/93/64/47/486936447.db2.gz QOKGYUCLJPKKNX-DLBZAZTESA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCO1 ZINC000667968855 487039479 /nfs/dbraw/zinc/03/94/79/487039479.db2.gz VGNWUBSCJXLYIB-CRAIPNDOSA-N 2 1 331.460 1.270 20 0 EDADMP C[C@@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCO1 ZINC000667968855 487039486 /nfs/dbraw/zinc/03/94/86/487039486.db2.gz VGNWUBSCJXLYIB-CRAIPNDOSA-N 2 1 331.460 1.270 20 0 EDADMP C[C@@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000667968855 487039490 /nfs/dbraw/zinc/03/94/90/487039490.db2.gz VGNWUBSCJXLYIB-CRAIPNDOSA-N 2 1 331.460 1.270 20 0 EDADMP C[C@@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000667968855 487039496 /nfs/dbraw/zinc/03/94/96/487039496.db2.gz VGNWUBSCJXLYIB-CRAIPNDOSA-N 2 1 331.460 1.270 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000671963350 487160716 /nfs/dbraw/zinc/16/07/16/487160716.db2.gz UWLDLQKVLWSNKL-QGZVFWFLSA-N 2 1 346.475 1.137 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000677839116 487179199 /nfs/dbraw/zinc/17/91/99/487179199.db2.gz OFAMZNHTWTUQHY-GOSISDBHSA-N 2 1 347.459 1.303 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000677839116 487179200 /nfs/dbraw/zinc/17/92/00/487179200.db2.gz OFAMZNHTWTUQHY-GOSISDBHSA-N 2 1 347.459 1.303 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CN1CC[NH+](C)CC1 ZINC000674097712 487198023 /nfs/dbraw/zinc/19/80/23/487198023.db2.gz CTYPIZYJTDAGOG-HKUYNNGSSA-N 2 1 344.503 1.261 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CN1CC[NH+](C)CC1 ZINC000674097712 487198024 /nfs/dbraw/zinc/19/80/24/487198024.db2.gz CTYPIZYJTDAGOG-HKUYNNGSSA-N 2 1 344.503 1.261 20 0 EDADMP C[NH+](C)CCc1ccccc1NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682110024 487304518 /nfs/dbraw/zinc/30/45/18/487304518.db2.gz YXQPDEKYIROHAI-UHFFFAOYSA-N 2 1 348.491 1.711 20 0 EDADMP CC[C@@H]1Oc2cc([C@H](C)[NH2+]C[C@H](O)C[NH+]3CCCC3)ccc2NC1=O ZINC000678785353 487363976 /nfs/dbraw/zinc/36/39/76/487363976.db2.gz AIPIZKXLRHPSRW-QRTARXTBSA-N 2 1 347.459 1.903 20 0 EDADMP Cc1noc(CCC[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000675645675 487431810 /nfs/dbraw/zinc/43/18/10/487431810.db2.gz VOJJHTNYTCQPGR-UHFFFAOYSA-N 2 1 349.479 1.187 20 0 EDADMP FC(F)CN1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000675880305 487455815 /nfs/dbraw/zinc/45/58/15/487455815.db2.gz DAGGJNRRNKUFFO-INIZCTEOSA-N 2 1 331.451 1.949 20 0 EDADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)CC[C@@H]21 ZINC000675897407 487457910 /nfs/dbraw/zinc/45/79/10/487457910.db2.gz VUTSCHTYHXYBOX-NEWSRXKRSA-N 2 1 342.487 1.989 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccn3)CC[C@@H]21 ZINC000675897407 487457912 /nfs/dbraw/zinc/45/79/12/487457912.db2.gz VUTSCHTYHXYBOX-NEWSRXKRSA-N 2 1 342.487 1.989 20 0 EDADMP C[NH+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)CC[C@@H]21 ZINC000675897407 487457915 /nfs/dbraw/zinc/45/79/15/487457915.db2.gz VUTSCHTYHXYBOX-NEWSRXKRSA-N 2 1 342.487 1.989 20 0 EDADMP C[NH+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)CC[C@@H]21 ZINC000675897407 487457917 /nfs/dbraw/zinc/45/79/17/487457917.db2.gz VUTSCHTYHXYBOX-NEWSRXKRSA-N 2 1 342.487 1.989 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000676048831 487468675 /nfs/dbraw/zinc/46/86/75/487468675.db2.gz VQLLQTPMPHSGIU-BBWFWOEESA-N 2 1 338.496 1.148 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000669528967 485503755 /nfs/dbraw/zinc/50/37/55/485503755.db2.gz XXXVWUUDBVBCSQ-VIBAHUMZSA-N 2 1 328.460 1.524 20 0 EDADMP Cc1ccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c(N2CCCC2)[nH+]1 ZINC000669555783 485557647 /nfs/dbraw/zinc/55/76/47/485557647.db2.gz HDDMASACNAPDCX-NVXWUHKLSA-N 2 1 343.475 1.884 20 0 EDADMP C[NH2+]CCNC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000669557173 485559900 /nfs/dbraw/zinc/55/99/00/485559900.db2.gz WSJZDXGUOZZOCZ-KZNAEPCWSA-N 2 1 330.476 1.806 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCCO1 ZINC000669570863 485592469 /nfs/dbraw/zinc/59/24/69/485592469.db2.gz BKEJVJGBXCIWRE-INIZCTEOSA-N 2 1 338.496 1.272 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000669347619 485995607 /nfs/dbraw/zinc/99/56/07/485995607.db2.gz WJTYJILAHLLAJW-WBVHZDCISA-N 2 1 333.480 1.012 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000669347619 485995612 /nfs/dbraw/zinc/99/56/12/485995612.db2.gz WJTYJILAHLLAJW-WBVHZDCISA-N 2 1 333.480 1.012 20 0 EDADMP C[C@@H]([NH3+])CNC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000669347619 485995616 /nfs/dbraw/zinc/99/56/16/485995616.db2.gz WJTYJILAHLLAJW-WBVHZDCISA-N 2 1 333.480 1.012 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000668661162 486009541 /nfs/dbraw/zinc/00/95/41/486009541.db2.gz RLESNCHAFAJTBT-ZIAGYGMSSA-N 2 1 339.509 1.073 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC000635501322 486089447 /nfs/dbraw/zinc/08/94/47/486089447.db2.gz OBMDMHMSSMYQKN-GOSISDBHSA-N 2 1 333.476 1.388 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC000635501322 486089453 /nfs/dbraw/zinc/08/94/53/486089453.db2.gz OBMDMHMSSMYQKN-GOSISDBHSA-N 2 1 333.476 1.388 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC000635501322 486089460 /nfs/dbraw/zinc/08/94/60/486089460.db2.gz OBMDMHMSSMYQKN-GOSISDBHSA-N 2 1 333.476 1.388 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000635501322 486089467 /nfs/dbraw/zinc/08/94/67/486089467.db2.gz OBMDMHMSSMYQKN-GOSISDBHSA-N 2 1 333.476 1.388 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000669484227 486250361 /nfs/dbraw/zinc/25/03/61/486250361.db2.gz KTEXSGLQCHJRIS-YQQAZPJKSA-N 2 1 337.512 1.066 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000669484227 486250369 /nfs/dbraw/zinc/25/03/69/486250369.db2.gz KTEXSGLQCHJRIS-YQQAZPJKSA-N 2 1 337.512 1.066 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC)C1)[NH+]1CCOCC1 ZINC000174504311 528809236 /nfs/dbraw/zinc/80/92/36/528809236.db2.gz MJCLSIWPCMIULO-WMZOPIPTSA-N 2 1 339.524 1.924 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)[NH+]1CCOCC1 ZINC000174504311 528809240 /nfs/dbraw/zinc/80/92/40/528809240.db2.gz MJCLSIWPCMIULO-WMZOPIPTSA-N 2 1 339.524 1.924 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249173121 534940362 /nfs/dbraw/zinc/94/03/62/534940362.db2.gz XVKZLNOLWGFSKN-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249173121 534940367 /nfs/dbraw/zinc/94/03/67/534940367.db2.gz XVKZLNOLWGFSKN-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249173121 534940372 /nfs/dbraw/zinc/94/03/72/534940372.db2.gz XVKZLNOLWGFSKN-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)[C@H](CNC(=O)NCCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000339410350 535000779 /nfs/dbraw/zinc/00/07/79/535000779.db2.gz QYOMZJDRRPINPJ-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000270903696 535002240 /nfs/dbraw/zinc/00/22/40/535002240.db2.gz ROBPLHCEUZJDFR-ROUUACIJSA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000270903696 535002245 /nfs/dbraw/zinc/00/22/45/535002245.db2.gz ROBPLHCEUZJDFR-ROUUACIJSA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000270903696 535002253 /nfs/dbraw/zinc/00/22/53/535002253.db2.gz ROBPLHCEUZJDFR-ROUUACIJSA-N 2 1 333.476 1.326 20 0 EDADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000352827105 535170890 /nfs/dbraw/zinc/17/08/90/535170890.db2.gz MAPNQXJRRPJUDL-YESZJQIVSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000352827105 535170891 /nfs/dbraw/zinc/17/08/91/535170891.db2.gz MAPNQXJRRPJUDL-YESZJQIVSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000352827105 535170894 /nfs/dbraw/zinc/17/08/94/535170894.db2.gz MAPNQXJRRPJUDL-YESZJQIVSA-N 2 1 340.512 1.203 20 0 EDADMP CC[NH+]1CCC(NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000339521324 535467947 /nfs/dbraw/zinc/46/79/47/535467947.db2.gz MVQVWJKQQVOARR-QGZVFWFLSA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(O)c1 ZINC000263708575 535594297 /nfs/dbraw/zinc/59/42/97/535594297.db2.gz QBOMDMOYDSMVGW-KRWDZBQOSA-N 2 1 333.476 1.809 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000247489750 535597672 /nfs/dbraw/zinc/59/76/72/535597672.db2.gz LLQVTIAPDQYSDA-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000247489750 535597676 /nfs/dbraw/zinc/59/76/76/535597676.db2.gz LLQVTIAPDQYSDA-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000340404878 535637018 /nfs/dbraw/zinc/63/70/18/535637018.db2.gz HBEDUCXMNWGCIP-KRWDZBQOSA-N 2 1 338.540 1.593 20 0 EDADMP CC[N@@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000270810304 535773167 /nfs/dbraw/zinc/77/31/67/535773167.db2.gz GWFXXNWPFLHCJA-IEBWSBKVSA-N 2 1 345.487 1.470 20 0 EDADMP CC[NH+](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000270810304 535773170 /nfs/dbraw/zinc/77/31/70/535773170.db2.gz GWFXXNWPFLHCJA-IEBWSBKVSA-N 2 1 345.487 1.470 20 0 EDADMP CC[NH+](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000270810304 535773173 /nfs/dbraw/zinc/77/31/73/535773173.db2.gz GWFXXNWPFLHCJA-IEBWSBKVSA-N 2 1 345.487 1.470 20 0 EDADMP CC[C@H](NC(=O)[C@H](C)C[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262653204 535839746 /nfs/dbraw/zinc/83/97/46/535839746.db2.gz SMXLIMYCYAWUTN-BPQIPLTHSA-N 2 1 333.476 1.638 20 0 EDADMP CC[C@H](NC(=O)[C@H](C)C[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262653204 535839752 /nfs/dbraw/zinc/83/97/52/535839752.db2.gz SMXLIMYCYAWUTN-BPQIPLTHSA-N 2 1 333.476 1.638 20 0 EDADMP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000340459949 536137216 /nfs/dbraw/zinc/13/72/16/536137216.db2.gz CZCBWLHQBBIOKB-GOSISDBHSA-N 2 1 329.448 1.679 20 0 EDADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000268856874 536321525 /nfs/dbraw/zinc/32/15/25/536321525.db2.gz LMSLAUFEFDPVHY-CYBMUJFWSA-N 2 1 336.461 1.841 20 0 EDADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821111 536324690 /nfs/dbraw/zinc/32/46/90/536324690.db2.gz DREUXGCMQVGPQF-CQSZACIVSA-N 2 1 347.463 1.464 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)CC[C@H]21 ZINC000261607856 536378888 /nfs/dbraw/zinc/37/88/88/536378888.db2.gz CZZGCONZUCXYPE-DINLJIAVSA-N 2 1 335.492 1.462 20 0 EDADMP COCCC[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000246870171 536511111 /nfs/dbraw/zinc/51/11/11/536511111.db2.gz CYEGDSAAAALVHD-PKOBYXMFSA-N 2 1 334.508 1.850 20 0 EDADMP COCCC[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000246870171 536511114 /nfs/dbraw/zinc/51/11/14/536511114.db2.gz CYEGDSAAAALVHD-PKOBYXMFSA-N 2 1 334.508 1.850 20 0 EDADMP COCCC[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246870171 536511120 /nfs/dbraw/zinc/51/11/20/536511120.db2.gz CYEGDSAAAALVHD-PKOBYXMFSA-N 2 1 334.508 1.850 20 0 EDADMP COCCC[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246870171 536511126 /nfs/dbraw/zinc/51/11/26/536511126.db2.gz CYEGDSAAAALVHD-PKOBYXMFSA-N 2 1 334.508 1.850 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000743397879 579478884 /nfs/dbraw/zinc/47/88/84/579478884.db2.gz BUUYKBVKUDHQOQ-AWEZNQCLSA-N 2 1 331.468 1.878 20 0 EDADMP O=C(CCN1CCOCC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000728555561 578548710 /nfs/dbraw/zinc/54/87/10/578548710.db2.gz HYBSDZRGJFONQT-IBGZPJMESA-N 2 1 345.487 1.390 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000728555561 578548711 /nfs/dbraw/zinc/54/87/11/578548711.db2.gz HYBSDZRGJFONQT-IBGZPJMESA-N 2 1 345.487 1.390 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000728555561 578548712 /nfs/dbraw/zinc/54/87/12/578548712.db2.gz HYBSDZRGJFONQT-IBGZPJMESA-N 2 1 345.487 1.390 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000729618159 578584776 /nfs/dbraw/zinc/58/47/76/578584776.db2.gz HKISIHGUYPRNNN-GVDBMIGSSA-N 2 1 336.480 1.119 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@@H]3CCOC3)cc2)CC1 ZINC000730265772 578637889 /nfs/dbraw/zinc/63/78/89/578637889.db2.gz YMIRMZUNOXVGAE-GOSISDBHSA-N 2 1 346.475 1.488 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@@H]3CCOC3)cc2)CC1 ZINC000730265772 578637890 /nfs/dbraw/zinc/63/78/90/578637890.db2.gz YMIRMZUNOXVGAE-GOSISDBHSA-N 2 1 346.475 1.488 20 0 EDADMP CC[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000734859392 578841328 /nfs/dbraw/zinc/84/13/28/578841328.db2.gz XOXZJZDMEUYXBO-OAHLLOKOSA-N 2 1 326.485 1.269 20 0 EDADMP CC[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000734859392 578841330 /nfs/dbraw/zinc/84/13/30/578841330.db2.gz XOXZJZDMEUYXBO-OAHLLOKOSA-N 2 1 326.485 1.269 20 0 EDADMP Cc1ccc(NC(=O)CC[NH+]2CCOCC2)c(OCC[NH+](C)C)c1 ZINC000737981054 579146541 /nfs/dbraw/zinc/14/65/41/579146541.db2.gz UCNAMGDUCANMTK-UHFFFAOYSA-N 2 1 335.448 1.596 20 0 EDADMP CC(C)[C@@]1(C)CC(=O)N(C[NH+]2CCC(OCC[NH+](C)C)CC2)C1=O ZINC000738208119 579172333 /nfs/dbraw/zinc/17/23/33/579172333.db2.gz JBLUKUJDKIVEKF-GOSISDBHSA-N 2 1 339.480 1.408 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000748982728 579709307 /nfs/dbraw/zinc/70/93/07/579709307.db2.gz LJLOGAVSNOHFPD-OAHLLOKOSA-N 2 1 346.475 1.596 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000749546247 579730004 /nfs/dbraw/zinc/73/00/04/579730004.db2.gz BKVKEKWYJVRUIV-HOTGVXAUSA-N 2 1 339.528 1.184 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000749587212 579731649 /nfs/dbraw/zinc/73/16/49/579731649.db2.gz ROZDUOWMANMJSK-BBWFWOEESA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COc1cc(C)on1 ZINC000750735144 579779006 /nfs/dbraw/zinc/77/90/06/579779006.db2.gz UCQZGPUDBSEPTB-HNNXBMFYSA-N 2 1 338.452 1.236 20 0 EDADMP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)ccc1OC(=O)C1CC1 ZINC000762790857 580083484 /nfs/dbraw/zinc/08/34/84/580083484.db2.gz KPJFSJYVXLDBFQ-GOSISDBHSA-N 2 1 334.416 1.167 20 0 EDADMP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)ccc1OC(=O)C1CC1 ZINC000762790857 580083485 /nfs/dbraw/zinc/08/34/85/580083485.db2.gz KPJFSJYVXLDBFQ-GOSISDBHSA-N 2 1 334.416 1.167 20 0 EDADMP COc1ccc2c(NCC[NH+]3CCN(C(C)=O)CC3)cc[nH+]c2c1 ZINC000765465950 580143149 /nfs/dbraw/zinc/14/31/49/580143149.db2.gz LYNBNQLLGLBHKR-UHFFFAOYSA-N 2 1 328.416 1.819 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H](CCO)C2CC2)CC1 ZINC000771796023 580294231 /nfs/dbraw/zinc/29/42/31/580294231.db2.gz ODKBRJJYDNZLBT-IBGZPJMESA-N 2 1 345.487 1.390 20 0 EDADMP CCO[C@H](C)c1noc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000779652346 580493088 /nfs/dbraw/zinc/49/30/88/580493088.db2.gz HINBPBSKQZUSJB-NEPJUHHUSA-N 2 1 341.412 1.275 20 0 EDADMP CCO[C@H](C)c1noc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000779652346 580493089 /nfs/dbraw/zinc/49/30/89/580493089.db2.gz HINBPBSKQZUSJB-NEPJUHHUSA-N 2 1 341.412 1.275 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000783641953 580603191 /nfs/dbraw/zinc/60/31/91/580603191.db2.gz LPUBBFKBJNGTNJ-IYBDPMFKSA-N 2 1 343.475 1.464 20 0 EDADMP C[C@H](CCNC(=S)NCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000783792795 580606487 /nfs/dbraw/zinc/60/64/87/580606487.db2.gz RPVXUALNNDCPEH-MRXNPFEDSA-N 2 1 342.553 1.437 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NCC(=O)NCc2ccccn2)[C@@H](C)C1 ZINC000787303932 580692269 /nfs/dbraw/zinc/69/22/69/580692269.db2.gz NFOZDYSFDWNTJW-FUHWJXTLSA-N 2 1 348.491 1.424 20 0 EDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccccn2)[C@@H](C)C1 ZINC000787303932 580692270 /nfs/dbraw/zinc/69/22/70/580692270.db2.gz NFOZDYSFDWNTJW-FUHWJXTLSA-N 2 1 348.491 1.424 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccccn2)[C@@H](C)C1 ZINC000787303932 580692271 /nfs/dbraw/zinc/69/22/71/580692271.db2.gz NFOZDYSFDWNTJW-FUHWJXTLSA-N 2 1 348.491 1.424 20 0 EDADMP CC(C)(CNC(=S)NCCC[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000790352247 580767340 /nfs/dbraw/zinc/76/73/40/580767340.db2.gz GIRRZDDHNUSDGS-UHFFFAOYSA-N 2 1 342.553 1.295 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CCNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000794385042 580889855 /nfs/dbraw/zinc/88/98/55/580889855.db2.gz YSJCZHAEEGRREB-RBSFLKMASA-N 2 1 329.485 1.677 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000794385042 580889856 /nfs/dbraw/zinc/88/98/56/580889856.db2.gz YSJCZHAEEGRREB-RBSFLKMASA-N 2 1 329.485 1.677 20 0 EDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CCNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000794385042 580889857 /nfs/dbraw/zinc/88/98/57/580889857.db2.gz YSJCZHAEEGRREB-RBSFLKMASA-N 2 1 329.485 1.677 20 0 EDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CCNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000794385042 580889858 /nfs/dbraw/zinc/88/98/58/580889858.db2.gz YSJCZHAEEGRREB-RBSFLKMASA-N 2 1 329.485 1.677 20 0 EDADMP CON(C)C(=O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796445445 580954050 /nfs/dbraw/zinc/95/40/50/580954050.db2.gz UVRDYQWRHITDLZ-IBGZPJMESA-N 2 1 331.460 1.994 20 0 EDADMP CON(C)C(=O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000796445445 580954051 /nfs/dbraw/zinc/95/40/51/580954051.db2.gz UVRDYQWRHITDLZ-IBGZPJMESA-N 2 1 331.460 1.994 20 0 EDADMP CON(C)C(=O)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000796445445 580954052 /nfs/dbraw/zinc/95/40/52/580954052.db2.gz UVRDYQWRHITDLZ-IBGZPJMESA-N 2 1 331.460 1.994 20 0 EDADMP C[NH+](C)CCNC(=S)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798372811 580995599 /nfs/dbraw/zinc/99/55/99/580995599.db2.gz NZPMBTPYIJRZAK-GOSISDBHSA-N 2 1 334.533 1.924 20 0 EDADMP C[N@H+]1C[C@@H]2CCN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)[C@@H]2C1 ZINC000891805081 590628546 /nfs/dbraw/zinc/62/85/46/590628546.db2.gz CZCUHVPKIWRSDN-MAUKXSAKSA-N 2 1 343.475 1.392 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCCCCC[NH+](C)C)[C@H](C)C1 ZINC000806541246 590636451 /nfs/dbraw/zinc/63/64/51/590636451.db2.gz HUYRDXFRRXXBAS-SJORKVTESA-N 2 1 342.528 1.595 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891957132 590706871 /nfs/dbraw/zinc/70/68/71/590706871.db2.gz UIYXBCVBJLNUQL-CVEARBPZSA-N 2 1 338.496 1.176 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000892025718 590756277 /nfs/dbraw/zinc/75/62/77/590756277.db2.gz ZGPLLYSQLMACOC-ZTFGCOKTSA-N 2 1 330.476 1.791 20 0 EDADMP COCC[NH2+]CCNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000892054451 590775020 /nfs/dbraw/zinc/77/50/20/590775020.db2.gz CKZIFHWXTZUIIB-INIZCTEOSA-N 2 1 334.464 1.311 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCC(F)(F)C[NH3+])C2)cc1 ZINC000892064926 590779263 /nfs/dbraw/zinc/77/92/63/590779263.db2.gz HNTLLJXOYYBNND-AWEZNQCLSA-N 2 1 326.391 1.463 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCC(F)(F)C[NH3+])C2)cc1 ZINC000892064926 590779266 /nfs/dbraw/zinc/77/92/66/590779266.db2.gz HNTLLJXOYYBNND-AWEZNQCLSA-N 2 1 326.391 1.463 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc3[nH]c(=O)oc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892154317 590825334 /nfs/dbraw/zinc/82/53/34/590825334.db2.gz WYISAMZWXWURHP-WMLDXEAASA-N 2 1 344.459 1.991 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc3[nH]c(=O)oc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892154317 590825339 /nfs/dbraw/zinc/82/53/39/590825339.db2.gz WYISAMZWXWURHP-WMLDXEAASA-N 2 1 344.459 1.991 20 0 EDADMP C[C@@H]1C[N@@H+](CCCOC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CCO1 ZINC000893387024 590825911 /nfs/dbraw/zinc/82/59/11/590825911.db2.gz YTUFNTSSRLCFLG-PBHICJAKSA-N 2 1 330.444 1.853 20 0 EDADMP C[C@@H]1C[NH+](CCCOC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCO1 ZINC000893387024 590825915 /nfs/dbraw/zinc/82/59/15/590825915.db2.gz YTUFNTSSRLCFLG-PBHICJAKSA-N 2 1 330.444 1.853 20 0 EDADMP C[C@@H]1C[NH+](CCCOC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCO1 ZINC000893387024 590825920 /nfs/dbraw/zinc/82/59/20/590825920.db2.gz YTUFNTSSRLCFLG-PBHICJAKSA-N 2 1 330.444 1.853 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000893398075 590842834 /nfs/dbraw/zinc/84/28/34/590842834.db2.gz HNSQUTJWOPPBPT-WBVHZDCISA-N 2 1 338.496 1.221 20 0 EDADMP CC1(C)OC[C@H](C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)O1 ZINC000893488338 590904752 /nfs/dbraw/zinc/90/47/52/590904752.db2.gz SSBJQKLIQJJNPC-ROUUACIJSA-N 2 1 334.460 1.884 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000892324322 590945790 /nfs/dbraw/zinc/94/57/90/590945790.db2.gz RUQLIVYJGPSMAT-SJLPKXTDSA-N 2 1 328.460 1.568 20 0 EDADMP [NH3+][C@@H](CCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)Cc1ccccc1 ZINC000892407664 591014987 /nfs/dbraw/zinc/01/49/87/591014987.db2.gz BVWMQABREAODSA-ZWKOTPCHSA-N 2 1 348.491 1.093 20 0 EDADMP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000892481253 591042249 /nfs/dbraw/zinc/04/22/49/591042249.db2.gz OHCZGDSURTZVKG-JKSUJKDBSA-N 2 1 331.464 1.516 20 0 EDADMP [NH3+][C@H]1C[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000892565036 591075122 /nfs/dbraw/zinc/07/51/22/591075122.db2.gz OAQWMIBMHLIPIU-WOVMCDHWSA-N 2 1 334.439 1.780 20 0 EDADMP [NH3+][C@H]1C[C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000892565036 591075127 /nfs/dbraw/zinc/07/51/27/591075127.db2.gz OAQWMIBMHLIPIU-WOVMCDHWSA-N 2 1 334.439 1.780 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000892582296 591080349 /nfs/dbraw/zinc/08/03/49/591080349.db2.gz BZTIHVLFPKVSHR-QAQDUYKDSA-N 2 1 346.475 1.650 20 0 EDADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000891508535 591098373 /nfs/dbraw/zinc/09/83/73/591098373.db2.gz NNVAQMYRCZKFIG-OKZBNKHCSA-N 2 1 330.476 1.588 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CCCC1 ZINC000891510386 591099303 /nfs/dbraw/zinc/09/93/03/591099303.db2.gz VTGQHACGEQYKNY-JKSUJKDBSA-N 2 1 338.496 1.101 20 0 EDADMP C[N@@H+](CCNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000891516431 591103133 /nfs/dbraw/zinc/10/31/33/591103133.db2.gz GRHHEHKQUHRUKD-WCQYABFASA-N 2 1 336.402 1.639 20 0 EDADMP CC[C@@H](CO)Nc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)ncn1 ZINC000891571738 591130805 /nfs/dbraw/zinc/13/08/05/591130805.db2.gz DBDYZLJLXIQJEN-LSDHHAIUSA-N 2 1 337.468 1.428 20 0 EDADMP CC[C@@H](CO)Nc1cc(NC[C@@H]2CN(CC(C)C)CCO2)ncn1 ZINC000891571738 591130810 /nfs/dbraw/zinc/13/08/10/591130810.db2.gz DBDYZLJLXIQJEN-LSDHHAIUSA-N 2 1 337.468 1.428 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000892735377 591153376 /nfs/dbraw/zinc/15/33/76/591153376.db2.gz HGEKVUCRSGCVFX-UHFFFAOYSA-N 2 1 341.544 1.387 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892781685 591173989 /nfs/dbraw/zinc/17/39/89/591173989.db2.gz ZSQNXXVVOKNEDU-HZPDHXFCSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892804608 591184482 /nfs/dbraw/zinc/18/44/82/591184482.db2.gz XHKLUDWEVFOGHX-OLMNPRSZSA-N 2 1 330.476 1.683 20 0 EDADMP CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000892817147 591190789 /nfs/dbraw/zinc/19/07/89/591190789.db2.gz AGPCDXOKQMZHQP-LSDHHAIUSA-N 2 1 326.485 1.079 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NCc2cc(N)cc[nH+]2)[C@H]1c1ccccc1 ZINC000891723669 591198959 /nfs/dbraw/zinc/19/89/59/591198959.db2.gz SWENUASXCDQUNJ-DLBZAZTESA-N 2 1 325.416 1.908 20 0 EDADMP C[NH+]1CCN(C(C)(C)CNC(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000891747633 591208511 /nfs/dbraw/zinc/20/85/11/591208511.db2.gz JOMZNOREFJDJRT-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000891747633 591208513 /nfs/dbraw/zinc/20/85/13/591208513.db2.gz JOMZNOREFJDJRT-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP CN1CC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000891747633 591208515 /nfs/dbraw/zinc/20/85/15/591208515.db2.gz JOMZNOREFJDJRT-UHFFFAOYSA-N 2 1 339.528 1.044 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)N3CCc4sc(C[NH3+])nc4C3)CC[C@H]21 ZINC000892878416 591211853 /nfs/dbraw/zinc/21/18/53/591211853.db2.gz SQMCMSODQGBCPG-DGCLKSJQSA-N 2 1 335.477 1.106 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000892879376 591214737 /nfs/dbraw/zinc/21/47/37/591214737.db2.gz NMSCPHYSNRYTLD-LBPRGKRZSA-N 2 1 337.493 1.494 20 0 EDADMP C[C@H](NC(=O)NCC[C@H]([NH3+])Cc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000891764488 591215608 /nfs/dbraw/zinc/21/56/08/591215608.db2.gz FHHNSZWJZNCHMZ-YJBOKZPZSA-N 2 1 330.476 1.896 20 0 EDADMP C[C@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000891764080 591215979 /nfs/dbraw/zinc/21/59/79/591215979.db2.gz ACLUUUUUWCIYDJ-IUVQAAGXSA-N 2 1 334.508 1.890 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2nccc3ccccc32)C1 ZINC000894242117 591242026 /nfs/dbraw/zinc/24/20/26/591242026.db2.gz HEMPFTZZESJDLS-MRXNPFEDSA-N 2 1 326.444 1.912 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2nccc3ccccc32)C1 ZINC000894242117 591242029 /nfs/dbraw/zinc/24/20/29/591242029.db2.gz HEMPFTZZESJDLS-MRXNPFEDSA-N 2 1 326.444 1.912 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000895671484 591248293 /nfs/dbraw/zinc/24/82/93/591248293.db2.gz VIKMQXVAWCVQJP-GOSISDBHSA-N 2 1 344.503 1.798 20 0 EDADMP C[NH+]1CC[C@H]1CNc1nc2ncccc2nc1NC[C@@H]1CC[N@@H+]1C ZINC000895771101 591269363 /nfs/dbraw/zinc/26/93/63/591269363.db2.gz GNOZRRNGJOTGMQ-STQMWFEESA-N 2 1 327.436 1.257 20 0 EDADMP C[NH+]1CC[C@H]1CNc1nc2cccnc2nc1NC[C@@H]1CC[N@@H+]1C ZINC000895771101 591269366 /nfs/dbraw/zinc/26/93/66/591269366.db2.gz GNOZRRNGJOTGMQ-STQMWFEESA-N 2 1 327.436 1.257 20 0 EDADMP C[NH+]1CC[C@H]1CNc1nc2cccnc2nc1NC[C@@H]1CC[N@H+]1C ZINC000895771101 591269370 /nfs/dbraw/zinc/26/93/70/591269370.db2.gz GNOZRRNGJOTGMQ-STQMWFEESA-N 2 1 327.436 1.257 20 0 EDADMP O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(OCCN3CCOCC3)cc1)C2 ZINC000898549050 591406351 /nfs/dbraw/zinc/40/63/51/591406351.db2.gz DFQPASJOSRUXDU-CEXWTWQISA-N 2 1 346.471 1.743 20 0 EDADMP Cn1cc(I)c(C[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000894753610 591408050 /nfs/dbraw/zinc/40/80/50/591408050.db2.gz LAGKMLKZPJCMSN-UHFFFAOYSA-N 2 1 348.232 1.456 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000898590807 591419478 /nfs/dbraw/zinc/41/94/78/591419478.db2.gz DCJUMEDURDFXBW-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000898590807 591419481 /nfs/dbraw/zinc/41/94/81/591419481.db2.gz DCJUMEDURDFXBW-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000898590807 591419484 /nfs/dbraw/zinc/41/94/84/591419484.db2.gz DCJUMEDURDFXBW-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000898590807 591419486 /nfs/dbraw/zinc/41/94/86/591419486.db2.gz DCJUMEDURDFXBW-UHFFFAOYSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CCC2(CCC2)O1 ZINC000898585360 591423598 /nfs/dbraw/zinc/42/35/98/591423598.db2.gz UFZJLSCMEVQPFM-JKSUJKDBSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CCC2(CCC2)O1 ZINC000898585360 591423600 /nfs/dbraw/zinc/42/36/00/591423600.db2.gz UFZJLSCMEVQPFM-JKSUJKDBSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000897442782 591454201 /nfs/dbraw/zinc/45/42/01/591454201.db2.gz IYQLETIDVBRJOF-RYRKJORJSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000897442782 591454204 /nfs/dbraw/zinc/45/42/04/591454204.db2.gz IYQLETIDVBRJOF-RYRKJORJSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000897442782 591454208 /nfs/dbraw/zinc/45/42/08/591454208.db2.gz IYQLETIDVBRJOF-RYRKJORJSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897546039 591545246 /nfs/dbraw/zinc/54/52/46/591545246.db2.gz WGRJUKDMDSWIEV-QGZVFWFLSA-N 2 1 347.507 1.887 20 0 EDADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000896607936 591551182 /nfs/dbraw/zinc/55/11/82/591551182.db2.gz BLKXULIQFHJWCG-ARFHVFGLSA-N 2 1 342.553 1.842 20 0 EDADMP CC(C)(C)OC(=O)N1CC(O)(C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000895206874 591656315 /nfs/dbraw/zinc/65/63/15/591656315.db2.gz NOQGYVJRNAINTP-UHFFFAOYSA-N 2 1 325.453 1.185 20 0 EDADMP CCCCNc1cc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)nc(N)n1 ZINC000897220439 591775520 /nfs/dbraw/zinc/77/55/20/591775520.db2.gz BFUTUMNJYTXFDV-ZIAGYGMSSA-N 2 1 334.468 1.306 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000900012753 591862701 /nfs/dbraw/zinc/86/27/01/591862701.db2.gz KCUKVIPAXXBCFT-MRXNPFEDSA-N 2 1 341.496 1.497 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000900012753 591862704 /nfs/dbraw/zinc/86/27/04/591862704.db2.gz KCUKVIPAXXBCFT-MRXNPFEDSA-N 2 1 341.496 1.497 20 0 EDADMP [NH3+][C@H](Cc1nc(C2([NH3+])CC2)no1)Cc1ccc(Br)cc1 ZINC000900017392 591869773 /nfs/dbraw/zinc/86/97/73/591869773.db2.gz GMSRXSZNUBRBOF-NSHDSACASA-N 2 1 337.221 1.892 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000900013686 591872315 /nfs/dbraw/zinc/87/23/15/591872315.db2.gz OAIZEDCJICOIST-UYAOXDASSA-N 2 1 345.487 1.787 20 0 EDADMP C[NH+](C)CCOC1CC[NH+](CN2C[C@H]([C@@H]3CCCO3)CC2=O)CC1 ZINC000902145304 591927618 /nfs/dbraw/zinc/92/76/18/591927618.db2.gz BWMIXUUOVAAHDZ-WBVHZDCISA-N 2 1 339.480 1.014 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000900187612 591933801 /nfs/dbraw/zinc/93/38/01/591933801.db2.gz MSJXIVTZKXXITP-AZUAARDMSA-N 2 1 345.487 1.265 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902197364 591942877 /nfs/dbraw/zinc/94/28/77/591942877.db2.gz WALADONNCPHWJP-UWGWQUPMSA-N 2 1 343.471 1.557 20 0 EDADMP C[NH+](C)CCOc1ccc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000900260406 591964022 /nfs/dbraw/zinc/96/40/22/591964022.db2.gz FNNPEESBBGFGAE-GOSISDBHSA-N 2 1 335.448 1.412 20 0 EDADMP Nc1ccc(CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)cn1 ZINC000902427687 591993550 /nfs/dbraw/zinc/99/35/50/591993550.db2.gz FNJURCDEGDCXNL-IYBDPMFKSA-N 2 1 336.395 1.281 20 0 EDADMP [NH3+]C[C@H]1CC2(CO1)CCN(c1nc(N[C@H]3CCCOC3)cc[nH+]1)CC2 ZINC000900365926 591997944 /nfs/dbraw/zinc/99/79/44/591997944.db2.gz PNEYUCWSURPBMA-LSDHHAIUSA-N 2 1 347.463 1.402 20 0 EDADMP O=c1ccn(CCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(=O)[nH]1 ZINC000902522100 592010522 /nfs/dbraw/zinc/01/05/22/592010522.db2.gz WFWGBKFKHFNSRM-HZPDHXFCSA-N 2 1 328.416 1.422 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000900439729 592019267 /nfs/dbraw/zinc/01/92/67/592019267.db2.gz SJOZRMBIWDXGCK-OALUTQOASA-N 2 1 349.519 1.964 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900571432 592055245 /nfs/dbraw/zinc/05/52/45/592055245.db2.gz PTQUZZCBNZZDLV-SFHVURJKSA-N 2 1 334.512 1.725 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000900589085 592061187 /nfs/dbraw/zinc/06/11/87/592061187.db2.gz VWSRDJLFAMYHIV-OAHLLOKOSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000900589085 592061190 /nfs/dbraw/zinc/06/11/90/592061190.db2.gz VWSRDJLFAMYHIV-OAHLLOKOSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000900589085 592061193 /nfs/dbraw/zinc/06/11/93/592061193.db2.gz VWSRDJLFAMYHIV-OAHLLOKOSA-N 2 1 339.480 1.252 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000900589085 592061194 /nfs/dbraw/zinc/06/11/94/592061194.db2.gz VWSRDJLFAMYHIV-OAHLLOKOSA-N 2 1 339.480 1.252 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000900604710 592066923 /nfs/dbraw/zinc/06/69/23/592066923.db2.gz SZKHUNPEVXRVGP-CQSZACIVSA-N 2 1 330.432 1.429 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900656317 592082327 /nfs/dbraw/zinc/08/23/27/592082327.db2.gz JGDCCNSEWRNDCA-QFBILLFUSA-N 2 1 339.524 1.850 20 0 EDADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900656317 592082330 /nfs/dbraw/zinc/08/23/30/592082330.db2.gz JGDCCNSEWRNDCA-QFBILLFUSA-N 2 1 339.524 1.850 20 0 EDADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900656317 592082333 /nfs/dbraw/zinc/08/23/33/592082333.db2.gz JGDCCNSEWRNDCA-QFBILLFUSA-N 2 1 339.524 1.850 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H](C)C[NH+](CC)CC)C1 ZINC000900695300 592088495 /nfs/dbraw/zinc/08/84/95/592088495.db2.gz OTPOLEAETZSKIN-CABCVRRESA-N 2 1 327.469 1.108 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)C[NH+](CC)CC)C1 ZINC000900695300 592088497 /nfs/dbraw/zinc/08/84/97/592088497.db2.gz OTPOLEAETZSKIN-CABCVRRESA-N 2 1 327.469 1.108 20 0 EDADMP CC(C)(C)NS(=O)(=O)C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000903188881 592136122 /nfs/dbraw/zinc/13/61/22/592136122.db2.gz JLCSMJBTWSOCBC-UHFFFAOYSA-N 2 1 343.537 1.843 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900819054 592136331 /nfs/dbraw/zinc/13/63/31/592136331.db2.gz MDTRFGQUPNMWNE-QGZVFWFLSA-N 2 1 342.487 1.409 20 0 EDADMP CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000900824408 592138235 /nfs/dbraw/zinc/13/82/35/592138235.db2.gz LHDHHNUPWWVXMY-QZTJIDSGSA-N 2 1 338.540 1.734 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000900824408 592138237 /nfs/dbraw/zinc/13/82/37/592138237.db2.gz LHDHHNUPWWVXMY-QZTJIDSGSA-N 2 1 338.540 1.734 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000900824408 592138238 /nfs/dbraw/zinc/13/82/38/592138238.db2.gz LHDHHNUPWWVXMY-QZTJIDSGSA-N 2 1 338.540 1.734 20 0 EDADMP C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)(N2CCCCC2)CC1 ZINC000900858277 592149067 /nfs/dbraw/zinc/14/90/67/592149067.db2.gz PTQLZWUBQSVLQN-UHFFFAOYSA-N 2 1 334.508 1.149 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903421705 592170288 /nfs/dbraw/zinc/17/02/88/592170288.db2.gz RXHTZDYTINNTAZ-YOEHRIQHSA-N 2 1 345.443 1.501 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903421705 592170290 /nfs/dbraw/zinc/17/02/90/592170290.db2.gz RXHTZDYTINNTAZ-YOEHRIQHSA-N 2 1 345.443 1.501 20 0 EDADMP COC[C@H](C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C(C)C ZINC000903460100 592171581 /nfs/dbraw/zinc/17/15/81/592171581.db2.gz XCRWXJHKFQEGDA-UAGQMJEPSA-N 2 1 338.496 1.125 20 0 EDADMP FC(F)(F)[C@H]1CC[C@@H](C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)O1 ZINC000903460133 592171833 /nfs/dbraw/zinc/17/18/33/592171833.db2.gz XVZOHTIVNNQBFQ-RFQIPJPRSA-N 2 1 334.382 1.797 20 0 EDADMP CC[C@H]1C[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)CC[C@H]1[NH3+] ZINC000903450292 592173455 /nfs/dbraw/zinc/17/34/55/592173455.db2.gz SREURTFBLAGDTM-WMLDXEAASA-N 2 1 345.443 1.358 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ncccc1C(F)(F)F)C2 ZINC000903493904 592186293 /nfs/dbraw/zinc/18/62/93/592186293.db2.gz ZVBXCZARJMVETH-RWSFTLGLSA-N 2 1 343.349 1.813 20 0 EDADMP Cc1cc(N2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)nc(C)[nH+]1 ZINC000900965390 592187048 /nfs/dbraw/zinc/18/70/48/592187048.db2.gz BREMLNRYTZPTSA-UHFFFAOYSA-N 2 1 329.448 1.274 20 0 EDADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495856 592187508 /nfs/dbraw/zinc/18/75/08/592187508.db2.gz AGQLKTNBHAKZDL-FRRDWIJNSA-N 2 1 336.411 1.779 20 0 EDADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906648058 592233188 /nfs/dbraw/zinc/23/31/88/592233188.db2.gz DGSXHVVRYLVPBE-UHFFFAOYSA-N 2 1 332.448 1.417 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906657421 592238910 /nfs/dbraw/zinc/23/89/10/592238910.db2.gz YQRMVIFEPGCRNZ-HNNXBMFYSA-N 2 1 344.459 1.274 20 0 EDADMP C[C@@]1(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CCC[NH2+]C1 ZINC000904369572 592240225 /nfs/dbraw/zinc/24/02/25/592240225.db2.gz YLEACRBJVNFQNH-QGZVFWFLSA-N 2 1 337.489 1.706 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1OC ZINC000904405082 592250650 /nfs/dbraw/zinc/25/06/50/592250650.db2.gz IVSMNQYZVCTYOR-AWEZNQCLSA-N 2 1 335.448 1.381 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906679867 592260775 /nfs/dbraw/zinc/26/07/75/592260775.db2.gz NCHYIGLNKIQJEN-OAHLLOKOSA-N 2 1 332.448 1.372 20 0 EDADMP C[NH+]1CCC(n2ccc(NC(=O)Nc3cc4n(n3)CC[NH2+]C4)n2)CC1 ZINC000904456142 592264628 /nfs/dbraw/zinc/26/46/28/592264628.db2.gz CSULNNFABJCTCL-UHFFFAOYSA-N 2 1 344.423 1.094 20 0 EDADMP c1csc(C[C@H]2CC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000904468427 592267579 /nfs/dbraw/zinc/26/75/79/592267579.db2.gz CKFSCCFREKDROU-ZIAGYGMSSA-N 2 1 332.477 1.724 20 0 EDADMP c1csc(C[C@H]2CC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000904468427 592267582 /nfs/dbraw/zinc/26/75/82/592267582.db2.gz CKFSCCFREKDROU-ZIAGYGMSSA-N 2 1 332.477 1.724 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)c2C1 ZINC000906705415 592277345 /nfs/dbraw/zinc/27/73/45/592277345.db2.gz HJSPBIOSMLGYGO-INIZCTEOSA-N 2 1 344.459 1.465 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)c2C1 ZINC000906705415 592277350 /nfs/dbraw/zinc/27/73/50/592277350.db2.gz HJSPBIOSMLGYGO-INIZCTEOSA-N 2 1 344.459 1.465 20 0 EDADMP CNC(=O)c1ccc(C[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903718604 592280927 /nfs/dbraw/zinc/28/09/27/592280927.db2.gz PLDAUWJYMKPWTC-QGZVFWFLSA-N 2 1 331.460 1.637 20 0 EDADMP COc1ccc([C@@H](CO)[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903728918 592285825 /nfs/dbraw/zinc/28/58/25/592285825.db2.gz HMPUEUIPEUUELO-QZTJIDSGSA-N 2 1 334.460 1.819 20 0 EDADMP NC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903727552 592285988 /nfs/dbraw/zinc/28/59/88/592285988.db2.gz VEHQGGGCBAQCNV-NVXWUHKLSA-N 2 1 329.444 1.230 20 0 EDADMP NC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903727552 592285990 /nfs/dbraw/zinc/28/59/90/592285990.db2.gz VEHQGGGCBAQCNV-NVXWUHKLSA-N 2 1 329.444 1.230 20 0 EDADMP C[N@@H+](CCO)C1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000904586654 592287912 /nfs/dbraw/zinc/28/79/12/592287912.db2.gz DMETXPJLUUWSEO-UHFFFAOYSA-N 2 1 334.464 1.801 20 0 EDADMP c1ccc(N(CC[NH+]2CCOCC2)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903731989 592288212 /nfs/dbraw/zinc/28/82/12/592288212.db2.gz BMRCNKJQCVWAAU-WOJBJXKFSA-N 2 1 345.487 1.594 20 0 EDADMP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903751679 592295729 /nfs/dbraw/zinc/29/57/29/592295729.db2.gz IEJSWLKLCKNXEI-KGLIPLIRSA-N 2 1 325.478 1.717 20 0 EDADMP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903751679 592295731 /nfs/dbraw/zinc/29/57/31/592295731.db2.gz IEJSWLKLCKNXEI-KGLIPLIRSA-N 2 1 325.478 1.717 20 0 EDADMP Cc1cnn(C[C@H]2C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)c1 ZINC000903740783 592302652 /nfs/dbraw/zinc/30/26/52/592302652.db2.gz ZAMGGPMHAVIJCY-DLBZAZTESA-N 2 1 334.464 1.051 20 0 EDADMP Cc1cnn(C[C@H]2C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)c1 ZINC000903740783 592302656 /nfs/dbraw/zinc/30/26/56/592302656.db2.gz ZAMGGPMHAVIJCY-DLBZAZTESA-N 2 1 334.464 1.051 20 0 EDADMP C[C@@H]1C[C@H](C)[N@H+](CCS(=O)(=O)Nc2ccccc2)C[C@H]1C[NH3+] ZINC000903761422 592308062 /nfs/dbraw/zinc/30/80/62/592308062.db2.gz SFLNGTGMFOLBBN-QLFBSQMISA-N 2 1 325.478 1.734 20 0 EDADMP C[C@@H]1C[C@H](C)[N@@H+](CCS(=O)(=O)Nc2ccccc2)C[C@H]1C[NH3+] ZINC000903761422 592308066 /nfs/dbraw/zinc/30/80/66/592308066.db2.gz SFLNGTGMFOLBBN-QLFBSQMISA-N 2 1 325.478 1.734 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc(N2CC[NH2+]CC2)no1 ZINC000904740643 592320291 /nfs/dbraw/zinc/32/02/91/592320291.db2.gz LLWCBFFTKIPYCP-GDBMZVCRSA-N 2 1 327.432 1.715 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)C12CC[NH+](CC1)C2 ZINC000908107841 592324092 /nfs/dbraw/zinc/32/40/92/592324092.db2.gz TXSOGNGWLSQOCI-DOTOQJQBSA-N 2 1 345.491 1.357 20 0 EDADMP O=C(CC[N@@H+]1CCC[C@H]1COc1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000903826358 592335557 /nfs/dbraw/zinc/33/55/57/592335557.db2.gz JKTSZMCRXAUDJO-INIZCTEOSA-N 2 1 335.423 1.491 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000901314324 592337116 /nfs/dbraw/zinc/33/71/16/592337116.db2.gz IVPMPLOWUIUKEO-LJQANCHMSA-N 2 1 346.475 1.261 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH+]2CCN(c3ccc(O)cc3)CC2)cnn1C ZINC000903873217 592354278 /nfs/dbraw/zinc/35/42/78/592354278.db2.gz NKDNCZOFLWCCSI-MRXNPFEDSA-N 2 1 343.475 1.374 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])CN2CCC(C[NH+]3CCCC3)CC2)cnn1C ZINC000903881321 592360415 /nfs/dbraw/zinc/36/04/15/592360415.db2.gz YHWZMCZSOFPGMQ-SFHVURJKSA-N 2 1 333.524 1.654 20 0 EDADMP Cc1noc([C@H]2CCC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903885367 592363401 /nfs/dbraw/zinc/36/34/01/592363401.db2.gz GAFPNKUFPXHBPC-UONOGXRCSA-N 2 1 331.424 1.274 20 0 EDADMP Cc1noc([C@H]2CCC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903885367 592363407 /nfs/dbraw/zinc/36/34/07/592363407.db2.gz GAFPNKUFPXHBPC-UONOGXRCSA-N 2 1 331.424 1.274 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1)N1CCCC1 ZINC000903892671 592366303 /nfs/dbraw/zinc/36/63/03/592366303.db2.gz LDUCBUXYBLWUEA-HZPDHXFCSA-N 2 1 346.479 1.037 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cnn1C ZINC000903909638 592374956 /nfs/dbraw/zinc/37/49/56/592374956.db2.gz GWXACSUFWBLSDC-ROUUACIJSA-N 2 1 333.524 1.510 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000903919848 592376843 /nfs/dbraw/zinc/37/68/43/592376843.db2.gz PSLSFMCHRIDXSL-GOSISDBHSA-N 2 1 340.475 1.520 20 0 EDADMP C[NH+](C)[C@H](CNCc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903926332 592380842 /nfs/dbraw/zinc/38/08/42/592380842.db2.gz KVILZDBRNPTAHB-FUHWJXTLSA-N 2 1 328.464 1.595 20 0 EDADMP O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903930196 592381890 /nfs/dbraw/zinc/38/18/90/592381890.db2.gz UMSQRVILDATUDO-HZPDHXFCSA-N 2 1 346.479 1.180 20 0 EDADMP O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903930196 592381893 /nfs/dbraw/zinc/38/18/93/592381893.db2.gz UMSQRVILDATUDO-HZPDHXFCSA-N 2 1 346.479 1.180 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H](C3CCOCC3)C2)C1 ZINC000903947732 592394576 /nfs/dbraw/zinc/39/45/76/592394576.db2.gz GHVFJXOYZIABKA-WMZOPIPTSA-N 2 1 337.508 1.712 20 0 EDADMP COC(=O)CCn1nc(C)c(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1C ZINC000903955562 592395394 /nfs/dbraw/zinc/39/53/94/592395394.db2.gz VRCYVAYJUCAROA-CYBMUJFWSA-N 2 1 344.406 1.397 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905061751 592397800 /nfs/dbraw/zinc/39/78/00/592397800.db2.gz IJVWXEWAZHGMCD-MRXNPFEDSA-N 2 1 330.432 1.721 20 0 EDADMP O[C@@H](CCOCc1ccccc1)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000905073577 592403228 /nfs/dbraw/zinc/40/32/28/592403228.db2.gz DTCIXENIYXIGAE-GBESFXJTSA-N 2 1 334.460 1.407 20 0 EDADMP O[C@@H](CCOCc1ccccc1)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000905073577 592403231 /nfs/dbraw/zinc/40/32/31/592403231.db2.gz DTCIXENIYXIGAE-GBESFXJTSA-N 2 1 334.460 1.407 20 0 EDADMP C[C@](O)(CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(F)(F)C(F)(F)F ZINC000905074257 592403282 /nfs/dbraw/zinc/40/32/82/592403282.db2.gz FVKAUURDEVVYES-DCAQKATOSA-N 2 1 332.313 1.388 20 0 EDADMP C[C@](O)(CNC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(F)(F)C(F)(F)F ZINC000905074257 592403286 /nfs/dbraw/zinc/40/32/86/592403286.db2.gz FVKAUURDEVVYES-DCAQKATOSA-N 2 1 332.313 1.388 20 0 EDADMP [NH3+][C@H](Cc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1)Cc1ccccc1 ZINC000904100009 592424912 /nfs/dbraw/zinc/42/49/12/592424912.db2.gz VDXSVEPNOQTMRO-XHSDSOJGSA-N 2 1 328.416 1.718 20 0 EDADMP [NH3+][C@H](Cc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1)Cc1ccccc1 ZINC000904100009 592424915 /nfs/dbraw/zinc/42/49/15/592424915.db2.gz VDXSVEPNOQTMRO-XHSDSOJGSA-N 2 1 328.416 1.718 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000905151404 592440284 /nfs/dbraw/zinc/44/02/84/592440284.db2.gz AODBBLBPGGLEJL-NZSAHSFTSA-N 2 1 348.487 1.532 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000905151404 592440290 /nfs/dbraw/zinc/44/02/90/592440290.db2.gz AODBBLBPGGLEJL-NZSAHSFTSA-N 2 1 348.487 1.532 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000905175311 592454752 /nfs/dbraw/zinc/45/47/52/592454752.db2.gz LGPGLAOVTTUOKT-KRWDZBQOSA-N 2 1 348.491 1.416 20 0 EDADMP Cc1ccc([C@@H](CNS(=O)(=O)CC2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000905334154 592509000 /nfs/dbraw/zinc/50/90/00/592509000.db2.gz DDNNNQVKISTPKN-QGZVFWFLSA-N 2 1 339.505 1.517 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000907166767 592531785 /nfs/dbraw/zinc/53/17/85/592531785.db2.gz MHKWCPCBOCSWOS-QGZVFWFLSA-N 2 1 348.491 1.760 20 0 EDADMP CCOC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000906387106 592814832 /nfs/dbraw/zinc/81/48/32/592814832.db2.gz VJENMELQICYFRK-UONOGXRCSA-N 2 1 346.431 1.361 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906644087 592865515 /nfs/dbraw/zinc/86/55/15/592865515.db2.gz HLFLITPRWMNUMV-AWEZNQCLSA-N 2 1 332.448 1.465 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCCC[N@H+]2C)C[C@@H](C)O1 ZINC000911866856 593024302 /nfs/dbraw/zinc/02/43/02/593024302.db2.gz CYUDPDRYTHZHIR-BZUAXINKSA-N 2 1 326.485 1.269 20 0 EDADMP CC[N@H+](CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CCC1 ZINC000839997595 593321552 /nfs/dbraw/zinc/32/15/52/593321552.db2.gz FMVUHAQESHGZMG-HDICACEKSA-N 2 1 341.455 1.935 20 0 EDADMP CC[N@@H+](CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CCC1 ZINC000839997595 593321553 /nfs/dbraw/zinc/32/15/53/593321553.db2.gz FMVUHAQESHGZMG-HDICACEKSA-N 2 1 341.455 1.935 20 0 EDADMP CC[NH+](CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C1CCC1 ZINC000839997595 593321556 /nfs/dbraw/zinc/32/15/56/593321556.db2.gz FMVUHAQESHGZMG-HDICACEKSA-N 2 1 341.455 1.935 20 0 EDADMP CC[NH+](CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O)C1CCC1 ZINC000839997595 593321558 /nfs/dbraw/zinc/32/15/58/593321558.db2.gz FMVUHAQESHGZMG-HDICACEKSA-N 2 1 341.455 1.935 20 0 EDADMP CN1CC[NH+](CC2(C)CC[NH+](CN3C(=O)[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000840045125 593412781 /nfs/dbraw/zinc/41/27/81/593412781.db2.gz AQDKXHMXECUTIS-SJORKVTESA-N 2 1 334.508 1.304 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=S)NCCC[NH+]1CCOCC1 ZINC000811722144 593476885 /nfs/dbraw/zinc/47/68/85/593476885.db2.gz VQYOMVDEQIQQKW-HNNXBMFYSA-N 2 1 330.542 1.293 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=S)NCCC[NH+]1CCOCC1 ZINC000811722144 593476886 /nfs/dbraw/zinc/47/68/86/593476886.db2.gz VQYOMVDEQIQQKW-HNNXBMFYSA-N 2 1 330.542 1.293 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000818960370 593730613 /nfs/dbraw/zinc/73/06/13/593730613.db2.gz YRPQILLIZOGNNM-KKUMJFAQSA-N 2 1 327.469 1.479 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000818960370 593730614 /nfs/dbraw/zinc/73/06/14/593730614.db2.gz YRPQILLIZOGNNM-KKUMJFAQSA-N 2 1 327.469 1.479 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000818997470 593733026 /nfs/dbraw/zinc/73/30/26/593733026.db2.gz BNDRYMRBYUXTMS-DLBZAZTESA-N 2 1 337.439 1.391 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000818997470 593733027 /nfs/dbraw/zinc/73/30/27/593733027.db2.gz BNDRYMRBYUXTMS-DLBZAZTESA-N 2 1 337.439 1.391 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccc(F)cc1 ZINC000819062827 593736819 /nfs/dbraw/zinc/73/68/19/593736819.db2.gz UUBICRWRWKJWBP-RBUKOAKNSA-N 2 1 336.451 1.962 20 0 EDADMP C[N@@H+](C[C@H](O)CNc1ccc(N2CCC[NH+](C)CC2)cc1)C1CC1 ZINC000819409824 593753726 /nfs/dbraw/zinc/75/37/26/593753726.db2.gz DBNMIZDQRFGJNR-LJQANCHMSA-N 2 1 332.492 1.696 20 0 EDADMP C[NH+](C[C@H](O)CNc1ccc(N2CCC[N@H+](C)CC2)cc1)C1CC1 ZINC000819409824 593753727 /nfs/dbraw/zinc/75/37/27/593753727.db2.gz DBNMIZDQRFGJNR-LJQANCHMSA-N 2 1 332.492 1.696 20 0 EDADMP C[NH+](C[C@H](O)CNc1ccc(N2CCC[N@@H+](C)CC2)cc1)C1CC1 ZINC000819409824 593753728 /nfs/dbraw/zinc/75/37/28/593753728.db2.gz DBNMIZDQRFGJNR-LJQANCHMSA-N 2 1 332.492 1.696 20 0 EDADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821587304 593871253 /nfs/dbraw/zinc/87/12/53/593871253.db2.gz QDLXNIHVOVNKPJ-UHFFFAOYSA-N 2 1 349.508 1.291 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625153 593886251 /nfs/dbraw/zinc/88/62/51/593886251.db2.gz GQSHAIHMWCWWQG-DOTOQJQBSA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625153 593886253 /nfs/dbraw/zinc/88/62/53/593886253.db2.gz GQSHAIHMWCWWQG-DOTOQJQBSA-N 2 1 342.447 1.662 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625153 593886254 /nfs/dbraw/zinc/88/62/54/593886254.db2.gz GQSHAIHMWCWWQG-DOTOQJQBSA-N 2 1 342.447 1.662 20 0 EDADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(-n2cnnc2)c1 ZINC000820809462 593895232 /nfs/dbraw/zinc/89/52/32/593895232.db2.gz BFFRBLHYJYOXAT-KRWDZBQOSA-N 2 1 342.491 1.946 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000821252735 593997294 /nfs/dbraw/zinc/99/72/94/593997294.db2.gz BLWYIBZZVOFHFP-XOKHGSTOSA-N 2 1 344.463 1.705 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000821252735 593997295 /nfs/dbraw/zinc/99/72/95/593997295.db2.gz BLWYIBZZVOFHFP-XOKHGSTOSA-N 2 1 344.463 1.705 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000821252735 593997298 /nfs/dbraw/zinc/99/72/98/593997298.db2.gz BLWYIBZZVOFHFP-XOKHGSTOSA-N 2 1 344.463 1.705 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000821252735 593997299 /nfs/dbraw/zinc/99/72/99/593997299.db2.gz BLWYIBZZVOFHFP-XOKHGSTOSA-N 2 1 344.463 1.705 20 0 EDADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC3CC[NH+](C)CC3)c2c1 ZINC000822195304 594006757 /nfs/dbraw/zinc/00/67/57/594006757.db2.gz OEDPTURZIIXIFM-UHFFFAOYSA-N 2 1 337.431 1.960 20 0 EDADMP Cc1ccc(-c2nn[nH]n2)c(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000822215050 594012004 /nfs/dbraw/zinc/01/20/04/594012004.db2.gz JZEXNZBZZDEHMM-BETUJISGSA-N 2 1 331.424 1.481 20 0 EDADMP C[NH+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC1)C2 ZINC000821323774 594017309 /nfs/dbraw/zinc/01/73/09/594017309.db2.gz HATJCVGEAPFYKU-HRBLRVMOSA-N 2 1 334.508 1.098 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000821323774 594017310 /nfs/dbraw/zinc/01/73/10/594017310.db2.gz HATJCVGEAPFYKU-HRBLRVMOSA-N 2 1 334.508 1.098 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000821323774 594017313 /nfs/dbraw/zinc/01/73/13/594017313.db2.gz HATJCVGEAPFYKU-HRBLRVMOSA-N 2 1 334.508 1.098 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)COC1CCC([NH3+])CC1 ZINC000827539897 594227817 /nfs/dbraw/zinc/22/78/17/594227817.db2.gz QUHBBMQXIHLLBW-UHFFFAOYSA-N 2 1 343.431 1.478 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cccc(C[NH3+])c2)C[C@H](C)O1 ZINC000827684787 594257706 /nfs/dbraw/zinc/25/77/06/594257706.db2.gz XZOONOPEAHVVEE-DAYGRLMNSA-N 2 1 331.460 1.859 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cccc(C[NH3+])c2)C[C@H](C)O1 ZINC000827684787 594257708 /nfs/dbraw/zinc/25/77/08/594257708.db2.gz XZOONOPEAHVVEE-DAYGRLMNSA-N 2 1 331.460 1.859 20 0 EDADMP C[C@H](C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1)[NH+](C)C ZINC000831586738 594685773 /nfs/dbraw/zinc/68/57/73/594685773.db2.gz QBSHLCMWAOJMSN-MRXNPFEDSA-N 2 1 333.476 1.734 20 0 EDADMP CCO[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C[NH+](C)C ZINC000831756753 594699971 /nfs/dbraw/zinc/69/99/71/594699971.db2.gz KYQBQTOFTXVRRB-QZTJIDSGSA-N 2 1 348.491 1.377 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000841288452 594882032 /nfs/dbraw/zinc/88/20/32/594882032.db2.gz WRFZNNHWRQBWRJ-UHFFFAOYSA-N 2 1 336.436 1.210 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000841726764 594944124 /nfs/dbraw/zinc/94/41/24/594944124.db2.gz LRTXJKODEFZYCS-XJKSGUPXSA-N 2 1 342.447 1.702 20 0 EDADMP C[C@@]1(CNC(=O)NC[C@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841895575 594976008 /nfs/dbraw/zinc/97/60/08/594976008.db2.gz FXFFHWLSAUNPOC-MJGOQNOKSA-N 2 1 330.476 1.950 20 0 EDADMP COC(=O)c1csc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000842038455 595007134 /nfs/dbraw/zinc/00/71/34/595007134.db2.gz GPRWSQXOENBBTO-NSHDSACASA-N 2 1 342.421 1.037 20 0 EDADMP COC(=O)c1csc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000842038455 595007137 /nfs/dbraw/zinc/00/71/37/595007137.db2.gz GPRWSQXOENBBTO-NSHDSACASA-N 2 1 342.421 1.037 20 0 EDADMP C[N@H+]1CCCN(c2ccc(-c3noc(C[C@H]([NH3+])C4CC4)n3)cn2)CC1 ZINC000843207029 595034617 /nfs/dbraw/zinc/03/46/17/595034617.db2.gz IGVDFVLQPJGLQC-HNNXBMFYSA-N 2 1 342.447 1.553 20 0 EDADMP C[N@H+]1C[C@@H](CNC(=S)NC2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC000843283500 595061337 /nfs/dbraw/zinc/06/13/37/595061337.db2.gz ZEXCRFOBTPYQNK-AEFFLSMTSA-N 2 1 346.544 1.890 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000842480166 595116875 /nfs/dbraw/zinc/11/68/75/595116875.db2.gz FAIRGFWGYVZLKO-AWEZNQCLSA-N 2 1 327.428 1.952 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)C2 ZINC000843111179 595289038 /nfs/dbraw/zinc/28/90/38/595289038.db2.gz DPXSZPHJEHOGGJ-MAUKXSAKSA-N 2 1 333.407 1.503 20 0 EDADMP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000844170630 595290202 /nfs/dbraw/zinc/29/02/02/595290202.db2.gz IPYZWQQKCSACOQ-HNNXBMFYSA-N 2 1 337.489 1.203 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)COC1CCC([NH3+])CC1 ZINC000844171704 595290969 /nfs/dbraw/zinc/29/09/69/595290969.db2.gz UTEFFMRHBUDVRU-UHFFFAOYSA-N 2 1 329.404 1.801 20 0 EDADMP O=C(CO[C@H]1CCC[NH2+]C1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000844175310 595292443 /nfs/dbraw/zinc/29/24/43/595292443.db2.gz JMNVWZSVOHITJD-SFHVURJKSA-N 2 1 347.459 1.268 20 0 EDADMP C[N@@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCC([NH3+])CC1 ZINC000844221048 595306186 /nfs/dbraw/zinc/30/61/86/595306186.db2.gz RGCCBQZTPIUUGS-UHFFFAOYSA-N 2 1 348.466 1.676 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCn4ccnc43)CC2)CC1 ZINC000848158693 595330457 /nfs/dbraw/zinc/33/04/57/595330457.db2.gz WWHZULMHSFIEKF-QGZVFWFLSA-N 2 1 345.491 1.640 20 0 EDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000846920134 595337527 /nfs/dbraw/zinc/33/75/27/595337527.db2.gz UNJPABWHZNDEDD-ROUUACIJSA-N 2 1 339.480 1.386 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000846920134 595337530 /nfs/dbraw/zinc/33/75/30/595337530.db2.gz UNJPABWHZNDEDD-ROUUACIJSA-N 2 1 339.480 1.386 20 0 EDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000846920134 595337533 /nfs/dbraw/zinc/33/75/33/595337533.db2.gz UNJPABWHZNDEDD-ROUUACIJSA-N 2 1 339.480 1.386 20 0 EDADMP CCN1C[C@@H](C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)OC1=O ZINC000847000542 595348988 /nfs/dbraw/zinc/34/89/88/595348988.db2.gz GDSFTUCZAXIZBX-QGZVFWFLSA-N 2 1 338.496 1.319 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847331121 595397731 /nfs/dbraw/zinc/39/77/31/595397731.db2.gz IDTYJWJTZUZPGB-NQNKBUKLSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847331121 595397734 /nfs/dbraw/zinc/39/77/34/595397734.db2.gz IDTYJWJTZUZPGB-NQNKBUKLSA-N 2 1 340.512 1.656 20 0 EDADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848536112 595403440 /nfs/dbraw/zinc/40/34/40/595403440.db2.gz NTJVQRZBCGCHFG-GOEBONIOSA-N 2 1 341.496 1.990 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCOC3CCC3)CC2)CC1 ZINC000847532232 595442384 /nfs/dbraw/zinc/44/23/84/595442384.db2.gz BDBIQBAGEBSKGI-UHFFFAOYSA-N 2 1 337.508 1.868 20 0 EDADMP COc1nc(C)cc(C)c1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849072059 595477795 /nfs/dbraw/zinc/47/77/95/595477795.db2.gz GFUDSZHYAICWMY-UHFFFAOYSA-N 2 1 335.452 1.043 20 0 EDADMP CC(C)O[C@@H]1C[C@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C1(C)C ZINC000849086428 595479863 /nfs/dbraw/zinc/47/98/63/595479863.db2.gz PTXIDYNVEBXHOQ-LSDHHAIUSA-N 2 1 326.485 1.415 20 0 EDADMP CCOc1cccc([C@@H]2C[C@H]2NC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000849105954 595482675 /nfs/dbraw/zinc/48/26/75/595482675.db2.gz JZSVWXWUPYKAEL-ZWKOTPCHSA-N 2 1 346.475 1.777 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849497053 595551585 /nfs/dbraw/zinc/55/15/85/595551585.db2.gz CTOVXMUWUDNCEQ-BPQIPLTHSA-N 2 1 347.507 1.446 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849497053 595551588 /nfs/dbraw/zinc/55/15/88/595551588.db2.gz CTOVXMUWUDNCEQ-BPQIPLTHSA-N 2 1 347.507 1.446 20 0 EDADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849497053 595551591 /nfs/dbraw/zinc/55/15/91/595551591.db2.gz CTOVXMUWUDNCEQ-BPQIPLTHSA-N 2 1 347.507 1.446 20 0 EDADMP C[C@H](c1ccc(NC(=O)C2=NO[C@H](C[NH3+])C2)cc1)[NH+]1CCOCC1 ZINC000852866750 595586564 /nfs/dbraw/zinc/58/65/64/595586564.db2.gz LGJFTMGLDJEQLP-DOMZBBRYSA-N 2 1 332.404 1.122 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C3=NO[C@H](C[NH3+])C3)c2)C[C@H](C)O1 ZINC000852870491 595590107 /nfs/dbraw/zinc/59/01/07/595590107.db2.gz CSEXPVZYSRIUSA-ZENOOKHLSA-N 2 1 346.431 1.338 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C3=NO[C@H](C[NH3+])C3)c2)C[C@H](C)O1 ZINC000852870491 595590112 /nfs/dbraw/zinc/59/01/12/595590112.db2.gz CSEXPVZYSRIUSA-ZENOOKHLSA-N 2 1 346.431 1.338 20 0 EDADMP CC[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000852890679 595601464 /nfs/dbraw/zinc/60/14/64/595601464.db2.gz UYFOYLFUOVAOSO-HZPDHXFCSA-N 2 1 330.432 1.213 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3SCCS3)cn2)CC1 ZINC000850401926 595827897 /nfs/dbraw/zinc/82/78/97/595827897.db2.gz ZFIHDTHAJRUWII-UHFFFAOYSA-N 2 1 325.507 1.124 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC23CC(C2)C[NH2+]3)cn1 ZINC000851655786 595870314 /nfs/dbraw/zinc/87/03/14/595870314.db2.gz XNAQSBSFFCQUSU-UHFFFAOYSA-N 2 1 326.404 1.127 20 0 EDADMP CNC(=O)CCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605322 596031971 /nfs/dbraw/zinc/03/19/71/596031971.db2.gz WCDCQVYHQBIFPR-SFHVURJKSA-N 2 1 348.491 1.901 20 0 EDADMP CNC(=O)CCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856605322 596031974 /nfs/dbraw/zinc/03/19/74/596031974.db2.gz WCDCQVYHQBIFPR-SFHVURJKSA-N 2 1 348.491 1.901 20 0 EDADMP CNC(=O)CCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856605322 596031978 /nfs/dbraw/zinc/03/19/78/596031978.db2.gz WCDCQVYHQBIFPR-SFHVURJKSA-N 2 1 348.491 1.901 20 0 EDADMP C[C@@]1(CNC(=O)NCCOCCC[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000861629037 596051428 /nfs/dbraw/zinc/05/14/28/596051428.db2.gz CFULRMMTCPOTMD-IBGZPJMESA-N 2 1 348.491 1.563 20 0 EDADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861712664 596077264 /nfs/dbraw/zinc/07/72/64/596077264.db2.gz RJEZXBZNIPHRNM-NJAFHUGGSA-N 2 1 335.492 1.309 20 0 EDADMP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000861712664 596077266 /nfs/dbraw/zinc/07/72/66/596077266.db2.gz RJEZXBZNIPHRNM-NJAFHUGGSA-N 2 1 335.492 1.309 20 0 EDADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000861712664 596077268 /nfs/dbraw/zinc/07/72/68/596077268.db2.gz RJEZXBZNIPHRNM-NJAFHUGGSA-N 2 1 335.492 1.309 20 0 EDADMP Cc1cccnc1NC(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000866666756 596285025 /nfs/dbraw/zinc/28/50/25/596285025.db2.gz VXGCTDISHYIMDG-CVEARBPZSA-N 2 1 332.448 1.547 20 0 EDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000866705548 596301204 /nfs/dbraw/zinc/30/12/04/596301204.db2.gz CIYITQMOEVEUFZ-KRWDZBQOSA-N 2 1 336.480 1.548 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC000868791614 596307422 /nfs/dbraw/zinc/30/74/22/596307422.db2.gz RHHFFBOFKOPSOP-MSOLQXFVSA-N 2 1 334.508 1.844 20 0 EDADMP O=C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000866723512 596310393 /nfs/dbraw/zinc/31/03/93/596310393.db2.gz FCYNXTYDTYHWHZ-MOPGFXCFSA-N 2 1 342.487 1.157 20 0 EDADMP COCC[N@@H+]1[C@H](C)CN(C(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000120224883 596347424 /nfs/dbraw/zinc/34/74/24/596347424.db2.gz ULYJRKDHFILEHC-IYBDPMFKSA-N 2 1 340.512 1.610 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)[NH+]1CCOCC1 ZINC000870860981 596379774 /nfs/dbraw/zinc/37/97/74/596379774.db2.gz WVUKAWDFDAYWKZ-BRWVUGGUSA-N 2 1 325.497 1.757 20 0 EDADMP CCN1CC[NH+](CCC(=O)NCCC2CC[NH+](C(C)C)CC2)CC1 ZINC000870958202 596417719 /nfs/dbraw/zinc/41/77/19/596417719.db2.gz LVBFCIGEZWULJA-UHFFFAOYSA-N 2 1 338.540 1.641 20 0 EDADMP Cc1cc([C@H]([NH3+])CC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc(Cl)n1 ZINC000870983308 596429399 /nfs/dbraw/zinc/42/93/99/596429399.db2.gz VBGDGNJQUJQNLZ-YUELXQCFSA-N 2 1 336.867 1.986 20 0 EDADMP CC(=O)NCC1CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000865453034 596579588 /nfs/dbraw/zinc/57/95/88/596579588.db2.gz VPQYDIPUDUEUGX-UHFFFAOYSA-N 2 1 337.508 1.916 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(CCOC)CC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000869759719 596620114 /nfs/dbraw/zinc/62/01/14/596620114.db2.gz LUTZYDYUZHIMIU-DLBZAZTESA-N 2 1 325.497 1.534 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)cn2)CC1 ZINC000865762638 596673339 /nfs/dbraw/zinc/67/33/39/596673339.db2.gz SETCNXRPYGBMNW-QZTJIDSGSA-N 2 1 345.491 1.523 20 0 EDADMP C[N@@H+](CCCCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1CC1 ZINC000868243984 596743084 /nfs/dbraw/zinc/74/30/84/596743084.db2.gz RJLCNBZJOTZZNZ-DLBZAZTESA-N 2 1 344.459 1.430 20 0 EDADMP C[NH+](C)C[C@@H]1CN(c2nc(N)nc3c2CCCC3)C[C@H]1C[NH+](C)C ZINC000866010443 596757048 /nfs/dbraw/zinc/75/70/48/596757048.db2.gz ITWXPQUVQWAWBM-ZIAGYGMSSA-N 2 1 332.496 1.113 20 0 EDADMP O=C1N[C@@H]2C[N@@H+](C[C@H]3CC4(CCC4)CO3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000872145831 596810184 /nfs/dbraw/zinc/81/01/84/596810184.db2.gz WQOSHELOHKJCEZ-BRWVUGGUSA-N 2 1 348.491 1.166 20 0 EDADMP CC[C@H](c1ccc(F)cc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000872146083 596810244 /nfs/dbraw/zinc/81/02/44/596810244.db2.gz FEUQIYLIAXWCHS-LJQANCHMSA-N 2 1 334.483 1.800 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](CCc2nnnn2-c2ccccc2)C[C@@H]1C(F)(F)F ZINC000872151608 596813194 /nfs/dbraw/zinc/81/31/94/596813194.db2.gz WQLKQGLPSNRSRY-YPMHNXCESA-N 2 1 340.353 1.274 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CCc2nnnn2-c2ccccc2)C[C@@H]1C(F)(F)F ZINC000872151608 596813197 /nfs/dbraw/zinc/81/31/97/596813197.db2.gz WQLKQGLPSNRSRY-YPMHNXCESA-N 2 1 340.353 1.274 20 0 EDADMP COCCCNC(=O)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158497 596816987 /nfs/dbraw/zinc/81/69/87/596816987.db2.gz VRSLZMLRBRPRTK-DOTOQJQBSA-N 2 1 325.497 1.759 20 0 EDADMP COCCCNC(=O)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158500 596817130 /nfs/dbraw/zinc/81/71/30/596817130.db2.gz VRSLZMLRBRPRTK-WBVHZDCISA-N 2 1 325.497 1.759 20 0 EDADMP CCOC(=O)C1=CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000872216020 596840080 /nfs/dbraw/zinc/84/00/80/596840080.db2.gz MBYMONSIWOHOFJ-ICSRJNTNSA-N 2 1 344.455 1.865 20 0 EDADMP CCOC(=O)C1=CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000872216020 596840082 /nfs/dbraw/zinc/84/00/82/596840082.db2.gz MBYMONSIWOHOFJ-ICSRJNTNSA-N 2 1 344.455 1.865 20 0 EDADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254591 596855821 /nfs/dbraw/zinc/85/58/21/596855821.db2.gz AKQKFPAEGXPLIP-UAGQMJEPSA-N 2 1 344.415 1.012 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)CC1 ZINC000872257179 596857549 /nfs/dbraw/zinc/85/75/49/596857549.db2.gz BQROTIGANLGSEX-JQHSSLGASA-N 2 1 337.508 1.457 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1 ZINC000874095120 596925522 /nfs/dbraw/zinc/92/55/22/596925522.db2.gz QJHPCPUCMFJAER-UHFFFAOYSA-N 2 1 346.475 1.629 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2C[C@H]3CCCCN3C2=O)C1 ZINC000872587159 596978033 /nfs/dbraw/zinc/97/80/33/596978033.db2.gz QIHSZVHSWREUEM-SJORKVTESA-N 2 1 338.496 1.667 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2C[C@H]3CCCCN3C2=O)C1 ZINC000872587159 596978034 /nfs/dbraw/zinc/97/80/34/596978034.db2.gz QIHSZVHSWREUEM-SJORKVTESA-N 2 1 338.496 1.667 20 0 EDADMP C[N@H+]1CC[C@H]2CN(C(=O)Nc3cnn(C4CC[NH+](C)CC4)c3)CC[C@@H]21 ZINC000876016734 597066035 /nfs/dbraw/zinc/06/60/35/597066035.db2.gz CTYVNOZBCFGHTA-YOEHRIQHSA-N 2 1 346.479 1.708 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000874431701 597075753 /nfs/dbraw/zinc/07/57/53/597075753.db2.gz BFLRQAROIXOTQW-ZHALLVOQSA-N 2 1 328.460 1.845 20 0 EDADMP CC[C@@H]1COCCN1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000874702793 597146481 /nfs/dbraw/zinc/14/64/81/597146481.db2.gz KDQXUBYOJVSAJQ-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CC[C@@H]1COCCN1CCNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000874702793 597146483 /nfs/dbraw/zinc/14/64/83/597146483.db2.gz KDQXUBYOJVSAJQ-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874831488 597189693 /nfs/dbraw/zinc/18/96/93/597189693.db2.gz YLBKHYCMWKOXKQ-LSDHHAIUSA-N 2 1 342.447 1.531 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874831488 597189695 /nfs/dbraw/zinc/18/96/95/597189695.db2.gz YLBKHYCMWKOXKQ-LSDHHAIUSA-N 2 1 342.447 1.531 20 0 EDADMP COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873205825 597226972 /nfs/dbraw/zinc/22/69/72/597226972.db2.gz RRHBEHILSLOQIT-GFCCVEGCSA-N 2 1 326.487 1.874 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)C1 ZINC000875135477 597297381 /nfs/dbraw/zinc/29/73/81/597297381.db2.gz YVIVJYZFDQQPPQ-KRWDZBQOSA-N 2 1 328.460 1.608 20 0 EDADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000876720183 597304096 /nfs/dbraw/zinc/30/40/96/597304096.db2.gz CWKAWRGBTICLFI-OBMMGQTPSA-N 2 1 325.416 1.604 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876733677 597311885 /nfs/dbraw/zinc/31/18/85/597311885.db2.gz FDSKCOMTSKHWAC-WBVHZDCISA-N 2 1 335.423 1.447 20 0 EDADMP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876739332 597315989 /nfs/dbraw/zinc/31/59/89/597315989.db2.gz ORZDIXGOKIYARA-ZDUSSCGKSA-N 2 1 347.488 1.582 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000876739450 597316115 /nfs/dbraw/zinc/31/61/15/597316115.db2.gz GEIRJSKHVBVJCR-FZMZJTMJSA-N 2 1 340.265 1.907 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876747178 597319386 /nfs/dbraw/zinc/31/93/86/597319386.db2.gz XQIDFPGYUXXOOB-BKFNIVOESA-N 2 1 348.535 1.559 20 0 EDADMP C[C@H](NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876772488 597334259 /nfs/dbraw/zinc/33/42/59/597334259.db2.gz OACWZJMJAPCFLV-XOYOTBSWSA-N 2 1 349.450 1.340 20 0 EDADMP C[C@H](NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876772488 597334261 /nfs/dbraw/zinc/33/42/61/597334261.db2.gz OACWZJMJAPCFLV-XOYOTBSWSA-N 2 1 349.450 1.340 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)CC2)nc(C)[nH+]1 ZINC000876775770 597335443 /nfs/dbraw/zinc/33/54/43/597335443.db2.gz GAAJZCAHAYYCCB-LSDHHAIUSA-N 2 1 331.464 1.552 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000876782368 597338663 /nfs/dbraw/zinc/33/86/63/597338663.db2.gz WDDWYYLSFKYLBU-IAGOWNOFSA-N 2 1 330.476 1.298 20 0 EDADMP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000876897143 597375925 /nfs/dbraw/zinc/37/59/25/597375925.db2.gz QBQYZMYKTPBQTB-OKZBNKHCSA-N 2 1 345.487 1.767 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2c(C[NH3+])cnn2C)CC1 ZINC000876942553 597391729 /nfs/dbraw/zinc/39/17/29/597391729.db2.gz ZFGGEATXQNXGCJ-OAHLLOKOSA-N 2 1 347.507 1.996 20 0 EDADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000876957267 597396238 /nfs/dbraw/zinc/39/62/38/597396238.db2.gz VZOQYJWIAUZMKG-ZACQAIPSSA-N 2 1 345.491 1.863 20 0 EDADMP COC(=O)c1cccc2c(C[NH2+]C[C@H](O)C[NH+]3CCCC3)ccnc12 ZINC000876965270 597400123 /nfs/dbraw/zinc/40/01/23/597400123.db2.gz ATJZGIKWGDPEJN-HNNXBMFYSA-N 2 1 343.427 1.568 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876967662 597400972 /nfs/dbraw/zinc/40/09/72/597400972.db2.gz KHWIZRRCIASHOH-KSZLIROESA-N 2 1 333.451 1.709 20 0 EDADMP CN(C(=O)CCC12CC(C1)C[NH2+]2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000876971259 597402180 /nfs/dbraw/zinc/40/21/80/597402180.db2.gz FKLVVNNDLRPVKS-RMXPPQQLSA-N 2 1 334.508 1.146 20 0 EDADMP CN(C(=O)CCC12CC(C1)C[NH2+]2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000876971259 597402181 /nfs/dbraw/zinc/40/21/81/597402181.db2.gz FKLVVNNDLRPVKS-RMXPPQQLSA-N 2 1 334.508 1.146 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877151770 597444139 /nfs/dbraw/zinc/44/41/39/597444139.db2.gz RESWZQFTLCYHMO-SJORKVTESA-N 2 1 332.492 1.340 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877151770 597444141 /nfs/dbraw/zinc/44/41/41/597444141.db2.gz RESWZQFTLCYHMO-SJORKVTESA-N 2 1 332.492 1.340 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000877229636 597469760 /nfs/dbraw/zinc/46/97/60/597469760.db2.gz OSOYHQDVZZROJY-ROUUACIJSA-N 2 1 331.460 1.439 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000877229636 597469761 /nfs/dbraw/zinc/46/97/61/597469761.db2.gz OSOYHQDVZZROJY-ROUUACIJSA-N 2 1 331.460 1.439 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000877362407 597501649 /nfs/dbraw/zinc/50/16/49/597501649.db2.gz BXGDZNSIZIEOTC-QGZVFWFLSA-N 2 1 327.469 1.338 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000877362407 597501651 /nfs/dbraw/zinc/50/16/51/597501651.db2.gz BXGDZNSIZIEOTC-QGZVFWFLSA-N 2 1 327.469 1.338 20 0 EDADMP CN(c1ccccc1C[N@H+]1CC[C@@H](O)[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000877749094 597553028 /nfs/dbraw/zinc/55/30/28/597553028.db2.gz FQPDELNQPYTMNT-MOPGFXCFSA-N 2 1 333.476 1.145 20 0 EDADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000878123834 597580024 /nfs/dbraw/zinc/58/00/24/597580024.db2.gz ACHMKQGXFSMDEJ-CGTJXYLNSA-N 2 1 337.508 1.722 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)C[C@@H](O)c3ccccc3)CC2)C1 ZINC000878248085 597589943 /nfs/dbraw/zinc/58/99/43/597589943.db2.gz PVIORGZGNWGHQO-SLFFLAALSA-N 2 1 347.503 1.183 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)C[C@@H](O)c3ccccc3)CC2)C1 ZINC000878248085 597589944 /nfs/dbraw/zinc/58/99/44/597589944.db2.gz PVIORGZGNWGHQO-SLFFLAALSA-N 2 1 347.503 1.183 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H](O)c3cccc(Cl)c3)nn2)CC1 ZINC000881415305 597608965 /nfs/dbraw/zinc/60/89/65/597608965.db2.gz LTQDXSXQBKYPFI-KRWDZBQOSA-N 2 1 349.866 1.631 20 0 EDADMP C[NH+]1CCN(C2CC[NH+]([C@@H]3C[C@@H]4CCCC[C@@H]4NC3=O)CC2)CC1 ZINC000879594835 597650601 /nfs/dbraw/zinc/65/06/01/597650601.db2.gz SBOPZVWZTOINFY-RYQLBKOJSA-N 2 1 334.508 1.146 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883133850 597662834 /nfs/dbraw/zinc/66/28/34/597662834.db2.gz JMNAFUGBWHEPAB-SOLBZPMBSA-N 2 1 343.475 1.929 20 0 EDADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1CCCOC1 ZINC000883216131 597687719 /nfs/dbraw/zinc/68/77/19/597687719.db2.gz LLRPDCIIMWCVHR-ZCNNSNEGSA-N 2 1 348.487 1.784 20 0 EDADMP CC(C)C[N@H+](CC(=O)NC[C@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000879702268 597694481 /nfs/dbraw/zinc/69/44/81/597694481.db2.gz IKFAJKGVXXHOQO-QGZVFWFLSA-N 2 1 325.497 1.581 20 0 EDADMP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC[N@@H+](C)CCOCCO)CC1 ZINC000883349946 597722133 /nfs/dbraw/zinc/72/21/33/597722133.db2.gz RITGNADVWWCPTK-PKOBYXMFSA-N 2 1 341.540 1.560 20 0 EDADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCN(C)CCOCCO)CC1 ZINC000883349946 597722136 /nfs/dbraw/zinc/72/21/36/597722136.db2.gz RITGNADVWWCPTK-PKOBYXMFSA-N 2 1 341.540 1.560 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878826049 597725958 /nfs/dbraw/zinc/72/59/58/597725958.db2.gz PANKDFRIRNCLRC-ILXRZTDVSA-N 2 1 343.512 1.969 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[NH+]2CCSCC2)CCN1c1cc[nH+]cc1 ZINC000883401487 597732433 /nfs/dbraw/zinc/73/24/33/597732433.db2.gz NZLQFKGOVKGBSD-OAHLLOKOSA-N 2 1 349.504 1.351 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000883533199 597792470 /nfs/dbraw/zinc/79/24/70/597792470.db2.gz JDEZGXYKIGRJDK-ZACQAIPSSA-N 2 1 338.496 1.148 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883585699 597814179 /nfs/dbraw/zinc/81/41/79/597814179.db2.gz VTGKDUYFQVBZGY-BMGDILEWSA-N 2 1 343.475 1.843 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000880143196 597855210 /nfs/dbraw/zinc/85/52/10/597855210.db2.gz ZVVHIJAPFBTESR-QLFBSQMISA-N 2 1 327.469 1.431 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000880143198 597855318 /nfs/dbraw/zinc/85/53/18/597855318.db2.gz ZVVHIJAPFBTESR-RRFJBIMHSA-N 2 1 327.469 1.431 20 0 EDADMP COC(=O)C1=C(C)O[C@@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000880261396 597886448 /nfs/dbraw/zinc/88/64/48/597886448.db2.gz VOWPYYOSMFCKRK-CZUORRHYSA-N 2 1 331.416 1.828 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H](C3CCOCC3)C2)CC1 ZINC000880576636 597968824 /nfs/dbraw/zinc/96/88/24/597968824.db2.gz AQQQQAYGOAHFBQ-KRWDZBQOSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000882494102 597976689 /nfs/dbraw/zinc/97/66/89/597976689.db2.gz GYLXGSCLSSKOJC-KURKYZTESA-N 2 1 347.507 1.444 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000882494102 597976690 /nfs/dbraw/zinc/97/66/90/597976690.db2.gz GYLXGSCLSSKOJC-KURKYZTESA-N 2 1 347.507 1.444 20 0 EDADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000882494102 597976692 /nfs/dbraw/zinc/97/66/92/597976692.db2.gz GYLXGSCLSSKOJC-KURKYZTESA-N 2 1 347.507 1.444 20 0 EDADMP [NH3+]Cc1ocnc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000884185579 598018197 /nfs/dbraw/zinc/01/81/97/598018197.db2.gz AHHJEEJPSQYQOU-UHFFFAOYSA-N 2 1 328.416 1.570 20 0 EDADMP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884192249 598021550 /nfs/dbraw/zinc/02/15/50/598021550.db2.gz AGDSVVQOECKZTJ-GUYCJALGSA-N 2 1 327.428 1.903 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)C1 ZINC000884213568 598031572 /nfs/dbraw/zinc/03/15/72/598031572.db2.gz FTUKSTFWODAWPT-GOEBONIOSA-N 2 1 331.416 1.140 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000914160492 695171877 /nfs/dbraw/zinc/17/18/77/695171877.db2.gz FFCSOUZULKPIFR-IMJJTQAJSA-N 2 1 338.521 1.350 20 0 EDADMP Cc1nccn1CCCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914247645 695309408 /nfs/dbraw/zinc/30/94/08/695309408.db2.gz CEGQYBOUHCQZLA-GJZGRUSLSA-N 2 1 337.493 1.461 20 0 EDADMP CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993366796 696015246 /nfs/dbraw/zinc/01/52/46/696015246.db2.gz PAUSMLNJOGXCBU-HZPDHXFCSA-N 2 1 335.496 1.828 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993575606 696229781 /nfs/dbraw/zinc/22/97/81/696229781.db2.gz OGLZTQAOGPFXAV-HOCLYGCPSA-N 2 1 343.431 1.496 20 0 EDADMP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1cccnc1 ZINC000994261238 696674965 /nfs/dbraw/zinc/67/49/65/696674965.db2.gz ZUTJBLISCVOBLA-DOTOQJQBSA-N 2 1 328.460 1.647 20 0 EDADMP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1Cc1cccnc1 ZINC000994261238 696674966 /nfs/dbraw/zinc/67/49/66/696674966.db2.gz ZUTJBLISCVOBLA-DOTOQJQBSA-N 2 1 328.460 1.647 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)[NH+](C)C1CC1 ZINC000916851835 696803166 /nfs/dbraw/zinc/80/31/66/696803166.db2.gz SCBRICSUEIZFRE-YUELXQCFSA-N 2 1 326.510 1.348 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)[N@H+](C)C1CC1 ZINC000916851835 696803168 /nfs/dbraw/zinc/80/31/68/696803168.db2.gz SCBRICSUEIZFRE-YUELXQCFSA-N 2 1 326.510 1.348 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)[N@@H+](C)C1CC1 ZINC000916851835 696803171 /nfs/dbraw/zinc/80/31/71/696803171.db2.gz SCBRICSUEIZFRE-YUELXQCFSA-N 2 1 326.510 1.348 20 0 EDADMP CCN1CCO[C@@H](C(=O)NC2CN(CC3CCC4(CC4)CC3)C2)C1 ZINC001031418995 697072712 /nfs/dbraw/zinc/07/27/12/697072712.db2.gz QRGWZRKHSQBRGY-QGZVFWFLSA-N 2 1 335.492 1.478 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC001031596124 697296315 /nfs/dbraw/zinc/29/63/15/697296315.db2.gz HAFVLSALRKOTDN-HIFRSBDPSA-N 2 1 345.434 1.191 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC001031596124 697296316 /nfs/dbraw/zinc/29/63/16/697296316.db2.gz HAFVLSALRKOTDN-HIFRSBDPSA-N 2 1 345.434 1.191 20 0 EDADMP O=C(NCC1C[NH+](CC2=CCCCC2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031689345 697530978 /nfs/dbraw/zinc/53/09/78/697530978.db2.gz TXDKJHMRVIRNCZ-ZWKOTPCHSA-N 2 1 333.476 1.398 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cncs2)C1 ZINC000995034173 700159202 /nfs/dbraw/zinc/15/92/02/700159202.db2.gz DBBNYYQMFNFPTK-KGLIPLIRSA-N 2 1 333.461 1.723 20 0 EDADMP C[C@H](CNC(=S)NCCC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000921268150 697540973 /nfs/dbraw/zinc/54/09/73/697540973.db2.gz GCLHQQSNQWXIED-MRXNPFEDSA-N 2 1 342.553 1.293 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000921439223 697613503 /nfs/dbraw/zinc/61/35/03/697613503.db2.gz VHGMWKIEFPAGLW-NVXWUHKLSA-N 2 1 338.496 1.413 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001031715397 697739521 /nfs/dbraw/zinc/73/95/21/697739521.db2.gz TWXMYJGLDFHGPW-LSDHHAIUSA-N 2 1 345.434 1.333 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001031715397 697739523 /nfs/dbraw/zinc/73/95/23/697739523.db2.gz TWXMYJGLDFHGPW-LSDHHAIUSA-N 2 1 345.434 1.333 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730769 698092587 /nfs/dbraw/zinc/09/25/87/698092587.db2.gz XOCXMYPXLYNKBR-SFHVURJKSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730769 698092593 /nfs/dbraw/zinc/09/25/93/698092593.db2.gz XOCXMYPXLYNKBR-SFHVURJKSA-N 2 1 346.475 1.938 20 0 EDADMP C[C@@H]1C[N@@H+](CC2CCC2)CC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943519328 698435024 /nfs/dbraw/zinc/43/50/24/698435024.db2.gz WOFYCWLIAXKENF-CRAIPNDOSA-N 2 1 347.507 1.685 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nonc3C)CC2)CC[N@H+]1C ZINC000940122975 700256141 /nfs/dbraw/zinc/25/61/41/700256141.db2.gz BSMYPKNYMWLELT-GOEBONIOSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001031765425 699051489 /nfs/dbraw/zinc/05/14/89/699051489.db2.gz GAHMHMMXVXKJFZ-VQIMIIECSA-N 2 1 345.487 1.305 20 0 EDADMP Cc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001031765425 699051491 /nfs/dbraw/zinc/05/14/91/699051491.db2.gz GAHMHMMXVXKJFZ-VQIMIIECSA-N 2 1 345.487 1.305 20 0 EDADMP CC(C)=CCN1CC(N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000941566970 701585490 /nfs/dbraw/zinc/58/54/90/701585490.db2.gz NGSSKQFSPSCEDT-UHFFFAOYSA-N 2 1 348.535 1.513 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000941566970 701585492 /nfs/dbraw/zinc/58/54/92/701585492.db2.gz NGSSKQFSPSCEDT-UHFFFAOYSA-N 2 1 348.535 1.513 20 0 EDADMP Cc1cccc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)c1 ZINC000939314306 699488149 /nfs/dbraw/zinc/48/81/49/699488149.db2.gz LPDHDOPDORIBKX-IEBWSBKVSA-N 2 1 345.487 1.654 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000939749679 699896951 /nfs/dbraw/zinc/89/69/51/699896951.db2.gz WXIZGWLXEUHSOP-SUMWQHHRSA-N 2 1 330.407 1.967 20 0 EDADMP CC(C)c1ocnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000939757071 699923743 /nfs/dbraw/zinc/92/37/43/699923743.db2.gz XMLDKUXCKDPMJL-GOEBONIOSA-N 2 1 334.464 1.830 20 0 EDADMP O=C(NCC1C[NH+](CCC(F)(F)F)C1)c1ccc2c[nH+]cn2c1 ZINC001031850115 699938537 /nfs/dbraw/zinc/93/85/37/699938537.db2.gz PESZNHQUYFIANK-UHFFFAOYSA-N 2 1 326.322 1.948 20 0 EDADMP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000940153872 700283554 /nfs/dbraw/zinc/28/35/54/700283554.db2.gz CNTKXKRBEWNMEX-UHFFFAOYSA-N 2 1 335.452 1.333 20 0 EDADMP Cn1cc(C[NH2+]C2(C)CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000940159602 700292007 /nfs/dbraw/zinc/29/20/07/700292007.db2.gz LRBQRNSLALMEBS-QGZVFWFLSA-N 2 1 347.507 1.765 20 0 EDADMP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000940178870 700312773 /nfs/dbraw/zinc/31/27/73/700312773.db2.gz ODYKRKHMHFRGJF-KRWDZBQOSA-N 2 1 347.507 1.858 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000940179226 700312785 /nfs/dbraw/zinc/31/27/85/700312785.db2.gz RTGDIUVGHASELM-KRWDZBQOSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000940179162 700312947 /nfs/dbraw/zinc/31/29/47/700312947.db2.gz RHNXPXAHAXERAL-HNNXBMFYSA-N 2 1 335.452 1.333 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1 ZINC000940214261 700353579 /nfs/dbraw/zinc/35/35/79/700353579.db2.gz DOAMPTLEPCRPBN-UHFFFAOYSA-N 2 1 330.436 1.096 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)c(C)o1 ZINC000940327987 700505765 /nfs/dbraw/zinc/50/57/65/700505765.db2.gz BVSZJLXHCLXISI-BBRMVZONSA-N 2 1 348.491 1.960 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)no1 ZINC000940328371 700506178 /nfs/dbraw/zinc/50/61/78/700506178.db2.gz IAVXGFOTJNBQEE-AWEZNQCLSA-N 2 1 349.479 1.587 20 0 EDADMP CCc1nc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)no1 ZINC000940328371 700506180 /nfs/dbraw/zinc/50/61/80/700506180.db2.gz IAVXGFOTJNBQEE-AWEZNQCLSA-N 2 1 349.479 1.587 20 0 EDADMP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)nc1 ZINC000940328400 700507045 /nfs/dbraw/zinc/50/70/45/700507045.db2.gz IUDKKQUIUUOXKT-HZPDHXFCSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1 ZINC000940329205 700508676 /nfs/dbraw/zinc/50/86/76/700508676.db2.gz RKJVPANVKGBRKU-GXTWGEPZSA-N 2 1 337.493 1.207 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]Cc3ccccn3)CC2)C1 ZINC000940466685 700652766 /nfs/dbraw/zinc/65/27/66/700652766.db2.gz BJALTRNYEIUMGC-KRWDZBQOSA-N 2 1 346.475 1.273 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]Cc3ccccn3)CC2)C1 ZINC000940466685 700652768 /nfs/dbraw/zinc/65/27/68/700652768.db2.gz BJALTRNYEIUMGC-KRWDZBQOSA-N 2 1 346.475 1.273 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC3CCCC3)CC2)C1 ZINC000940467646 700653437 /nfs/dbraw/zinc/65/34/37/700653437.db2.gz YXRNVZGRSUQXIV-KRWDZBQOSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC3CCCC3)CC2)C1 ZINC000940467646 700653438 /nfs/dbraw/zinc/65/34/38/700653438.db2.gz YXRNVZGRSUQXIV-KRWDZBQOSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940457654 700661535 /nfs/dbraw/zinc/66/15/35/700661535.db2.gz ONEFRRGEQASZIL-OAHLLOKOSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940461997 700665473 /nfs/dbraw/zinc/66/54/73/700665473.db2.gz VUWOVUNHZQFSQQ-QGZVFWFLSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ncoc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940625897 700788107 /nfs/dbraw/zinc/78/81/07/700788107.db2.gz WSULEOZOJLHODL-GDBMZVCRSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625897 700788108 /nfs/dbraw/zinc/78/81/08/700788108.db2.gz WSULEOZOJLHODL-GDBMZVCRSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625897 700788109 /nfs/dbraw/zinc/78/81/09/700788109.db2.gz WSULEOZOJLHODL-GDBMZVCRSA-N 2 1 334.464 1.794 20 0 EDADMP Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940617502 700799339 /nfs/dbraw/zinc/79/93/39/700799339.db2.gz KZWYJLWJXRVORA-DLBZAZTESA-N 2 1 347.507 1.274 20 0 EDADMP Cn1cc(CC[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)cn1 ZINC000940617502 700799341 /nfs/dbraw/zinc/79/93/41/700799341.db2.gz KZWYJLWJXRVORA-DLBZAZTESA-N 2 1 347.507 1.274 20 0 EDADMP Cn1cc(CC[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)cn1 ZINC000940617502 700799342 /nfs/dbraw/zinc/79/93/42/700799342.db2.gz KZWYJLWJXRVORA-DLBZAZTESA-N 2 1 347.507 1.274 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccnn3C)CC2(C)C)CC[N@H+]1C ZINC000940756572 700892079 /nfs/dbraw/zinc/89/20/79/700892079.db2.gz CAZZQBFASDWRSC-OIISXLGYSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)CC2(C)C)CC[NH+]1C ZINC000940756572 700892080 /nfs/dbraw/zinc/89/20/80/700892080.db2.gz CAZZQBFASDWRSC-OIISXLGYSA-N 2 1 347.507 1.477 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccnn3C)CC2(C)C)CC[NH+]1C ZINC000940756572 700892081 /nfs/dbraw/zinc/89/20/81/700892081.db2.gz CAZZQBFASDWRSC-OIISXLGYSA-N 2 1 347.507 1.477 20 0 EDADMP Cc1c(C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)O)CC2(C)C)ccc2c[nH+]cn21 ZINC000940852799 700952905 /nfs/dbraw/zinc/95/29/05/700952905.db2.gz FJNGIJFURHMWMI-CXAGYDPISA-N 2 1 344.459 1.854 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000940892806 700968208 /nfs/dbraw/zinc/96/82/08/700968208.db2.gz LBCVRZOZWZHHSV-IRXDYDNUSA-N 2 1 348.491 1.835 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000940892806 700968209 /nfs/dbraw/zinc/96/82/09/700968209.db2.gz LBCVRZOZWZHHSV-IRXDYDNUSA-N 2 1 348.491 1.835 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000940918105 700995651 /nfs/dbraw/zinc/99/56/51/700995651.db2.gz KSYIPBRPRWZVDI-SJORKVTESA-N 2 1 337.508 1.724 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)CC2(C)C)CC1 ZINC000940993550 701029493 /nfs/dbraw/zinc/02/94/93/701029493.db2.gz LPXVRYFTJPVXFK-QGZVFWFLSA-N 2 1 347.507 1.442 20 0 EDADMP CC[C@H](C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1)OC ZINC000941221130 701411367 /nfs/dbraw/zinc/41/13/67/701411367.db2.gz LRIHDLSTTHXVCM-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP CC1(C)C[N@@H+](CC[C@@H]2CCCO2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221230 701411956 /nfs/dbraw/zinc/41/19/56/701411956.db2.gz NWRBTQHSZLYAQG-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C3C[NH+](CC=C(C)C)C3)CC2)CC[N@@H+]1C ZINC000941414706 701529145 /nfs/dbraw/zinc/52/91/45/701529145.db2.gz XKTDRMAGDPDIQW-RBUKOAKNSA-N 2 1 348.535 1.511 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCN(C3C[NH+](CC=C(C)C)C3)CC2)CC[N@H+]1C ZINC000941414706 701529147 /nfs/dbraw/zinc/52/91/47/701529147.db2.gz XKTDRMAGDPDIQW-RBUKOAKNSA-N 2 1 348.535 1.511 20 0 EDADMP COc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1 ZINC001031976349 701959609 /nfs/dbraw/zinc/95/96/09/701959609.db2.gz JJUSWNCCBKJGHP-KXBFYZLASA-N 2 1 345.487 1.483 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995806608 702053086 /nfs/dbraw/zinc/05/30/86/702053086.db2.gz XRXKFJKHSUYVAV-HZPDHXFCSA-N 2 1 349.479 1.577 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995806608 702053094 /nfs/dbraw/zinc/05/30/94/702053094.db2.gz XRXKFJKHSUYVAV-HZPDHXFCSA-N 2 1 349.479 1.577 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ncccn3)C(C)(C)C2)CC[N@@H+]1C ZINC000995837357 702116150 /nfs/dbraw/zinc/11/61/50/702116150.db2.gz DGDMFHGSMVUDCD-ARFHVFGLSA-N 2 1 345.491 1.534 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ncccn3)C(C)(C)C2)CC[N@H+]1C ZINC000995837357 702116154 /nfs/dbraw/zinc/11/61/54/702116154.db2.gz DGDMFHGSMVUDCD-ARFHVFGLSA-N 2 1 345.491 1.534 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCCc3cccc(F)c3)C2)C1 ZINC001032182108 702183949 /nfs/dbraw/zinc/18/39/49/702183949.db2.gz FEAGRCHGMRILNT-QGZVFWFLSA-N 2 1 333.451 1.758 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)no1 ZINC000995892833 702193618 /nfs/dbraw/zinc/19/36/18/702193618.db2.gz GIBSDJSZUDJBPH-HZPDHXFCSA-N 2 1 334.464 1.650 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C(C)(C)C1)C1CCC1 ZINC000995920118 702240688 /nfs/dbraw/zinc/24/06/88/702240688.db2.gz SMGUVDIUUZPERV-DLBZAZTESA-N 2 1 337.508 1.866 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995915837 702276447 /nfs/dbraw/zinc/27/64/47/702276447.db2.gz HAYHQZPEZNNNDB-OAHLLOKOSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995915837 702276454 /nfs/dbraw/zinc/27/64/54/702276454.db2.gz HAYHQZPEZNNNDB-OAHLLOKOSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995982926 702343110 /nfs/dbraw/zinc/34/31/10/702343110.db2.gz QQAUQCIRZIFKCM-JKSUJKDBSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nonc1CN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995973987 702358834 /nfs/dbraw/zinc/35/88/34/702358834.db2.gz GRUVFLFMSFMYHH-HUUCEWRRSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1nonc1CN[C@@H]1CN(C(=O)[C@H]2CCCCN2C)CC1(C)C ZINC000995973987 702358842 /nfs/dbraw/zinc/35/88/42/702358842.db2.gz GRUVFLFMSFMYHH-HUUCEWRRSA-N 2 1 335.452 1.189 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)no1 ZINC000995995256 702373730 /nfs/dbraw/zinc/37/37/30/702373730.db2.gz HBYSAGRAXSNXFX-MRXNPFEDSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)cn1 ZINC000944167598 702406951 /nfs/dbraw/zinc/40/69/51/702406951.db2.gz FLNNMQDNSRRNJI-RHSMWYFYSA-N 2 1 343.475 1.207 20 0 EDADMP C[C@@H]1C[N@@H+](CCC(F)(F)F)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944169660 702411682 /nfs/dbraw/zinc/41/16/82/702411682.db2.gz PCSODHJDLAGIHE-CHWSQXEVSA-N 2 1 333.398 1.861 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000995195825 702427146 /nfs/dbraw/zinc/42/71/46/702427146.db2.gz KFSQVHIRUIMGFQ-DOTOQJQBSA-N 2 1 327.432 1.661 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2c(C)noc2C)C(C)(C)C1 ZINC000996045393 702439413 /nfs/dbraw/zinc/43/94/13/702439413.db2.gz WFLZYHIRKQYDGR-MRXNPFEDSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2nccnc2C)C(C)(C)C1 ZINC000996042726 702459230 /nfs/dbraw/zinc/45/92/30/702459230.db2.gz LVHUJIHVCFGCNK-INIZCTEOSA-N 2 1 342.447 1.317 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CCC3)C(C)(C)C2)C1 ZINC000996186704 702590844 /nfs/dbraw/zinc/59/08/44/702590844.db2.gz IXOKSRGFWKLLSN-IAGOWNOFSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CCC3)C(C)(C)C2)C1 ZINC000996186704 702590847 /nfs/dbraw/zinc/59/08/47/702590847.db2.gz IXOKSRGFWKLLSN-IAGOWNOFSA-N 2 1 337.508 1.722 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996311836 702700810 /nfs/dbraw/zinc/70/08/10/702700810.db2.gz WDRJXRPLQMKKTE-OAHLLOKOSA-N 2 1 349.479 1.437 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996311836 702700811 /nfs/dbraw/zinc/70/08/11/702700811.db2.gz WDRJXRPLQMKKTE-OAHLLOKOSA-N 2 1 349.479 1.437 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)no1 ZINC000996478110 702809783 /nfs/dbraw/zinc/80/97/83/702809783.db2.gz OYHDGYJKQVWNIA-YJBOKZPZSA-N 2 1 346.475 1.938 20 0 EDADMP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996500917 702839958 /nfs/dbraw/zinc/83/99/58/702839958.db2.gz ICTPSHHBDZKKPC-CZUORRHYSA-N 2 1 333.436 1.025 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](NCc3nccs3)C(C)(C)C2)C1 ZINC000996517742 702852911 /nfs/dbraw/zinc/85/29/11/702852911.db2.gz GSUIGHVDISEZMS-ZIAGYGMSSA-N 2 1 336.505 1.812 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]Cc3nccs3)C(C)(C)C2)C1 ZINC000996517742 702852913 /nfs/dbraw/zinc/85/29/13/702852913.db2.gz GSUIGHVDISEZMS-ZIAGYGMSSA-N 2 1 336.505 1.812 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]Cc3nccs3)C(C)(C)C2)C1 ZINC000996517742 702852915 /nfs/dbraw/zinc/85/29/15/702852915.db2.gz GSUIGHVDISEZMS-ZIAGYGMSSA-N 2 1 336.505 1.812 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996522040 702857554 /nfs/dbraw/zinc/85/75/54/702857554.db2.gz XLJDTTQYEVXIQN-WBVHZDCISA-N 2 1 330.476 1.750 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC000948439144 702902586 /nfs/dbraw/zinc/90/25/86/702902586.db2.gz ILSPQQSIRYXAGA-JKSUJKDBSA-N 2 1 338.496 1.048 20 0 EDADMP CN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948439524 702905867 /nfs/dbraw/zinc/90/58/67/702905867.db2.gz QYQNSDYFZRSMHH-FUHWJXTLSA-N 2 1 337.508 1.699 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@H]1CCC[NH+](CCO)CC1 ZINC000948439524 702905868 /nfs/dbraw/zinc/90/58/68/702905868.db2.gz QYQNSDYFZRSMHH-FUHWJXTLSA-N 2 1 337.508 1.699 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)[C@H]1CCC[NH+](CCO)CC1 ZINC000948439524 702905869 /nfs/dbraw/zinc/90/58/69/702905869.db2.gz QYQNSDYFZRSMHH-FUHWJXTLSA-N 2 1 337.508 1.699 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)s1 ZINC000996613716 702918752 /nfs/dbraw/zinc/91/87/52/702918752.db2.gz WZDSMQWXAKUBOE-HNNXBMFYSA-N 2 1 347.488 1.983 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cnccc2C)C(C)(C)C1 ZINC000996622101 702927618 /nfs/dbraw/zinc/92/76/18/702927618.db2.gz LQRFLFKUDPNYLM-KRWDZBQOSA-N 2 1 341.459 1.922 20 0 EDADMP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)n[nH]1 ZINC000996623002 702928322 /nfs/dbraw/zinc/92/83/22/702928322.db2.gz ULZNEJSMELBWQE-KRWDZBQOSA-N 2 1 331.464 1.781 20 0 EDADMP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)n[nH]1 ZINC000996623002 702928324 /nfs/dbraw/zinc/92/83/24/702928324.db2.gz ULZNEJSMELBWQE-KRWDZBQOSA-N 2 1 331.464 1.781 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2ncccn2)CC1 ZINC000996643636 702946403 /nfs/dbraw/zinc/94/64/03/702946403.db2.gz DBPNYBVFKRNPON-RDJZCZTQSA-N 2 1 345.491 1.993 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc(C)ncn2)CC1 ZINC000996664469 702966891 /nfs/dbraw/zinc/96/68/91/702966891.db2.gz WIQACPMFFPBGFN-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP Cn1cncc1C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000996685829 702983572 /nfs/dbraw/zinc/98/35/72/702983572.db2.gz BAKRPHYPZVRNTE-MRXNPFEDSA-N 2 1 333.480 1.375 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996685906 702983636 /nfs/dbraw/zinc/98/36/36/702983636.db2.gz BKQRALXVNXBLHU-AEFFLSMTSA-N 2 1 337.508 1.868 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996685912 702983657 /nfs/dbraw/zinc/98/36/57/702983657.db2.gz BKQRALXVNXBLHU-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000996686951 702984369 /nfs/dbraw/zinc/98/43/69/702984369.db2.gz DOPYFKVQHWULSJ-SFHVURJKSA-N 2 1 345.491 1.740 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000355117868 703004505 /nfs/dbraw/zinc/00/45/05/703004505.db2.gz JUFYFMNALFLZPL-DLBZAZTESA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000355117868 703004506 /nfs/dbraw/zinc/00/45/06/703004506.db2.gz JUFYFMNALFLZPL-DLBZAZTESA-N 2 1 325.497 1.722 20 0 EDADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000355117868 703004508 /nfs/dbraw/zinc/00/45/08/703004508.db2.gz JUFYFMNALFLZPL-DLBZAZTESA-N 2 1 325.497 1.722 20 0 EDADMP CC[C@H](C(=O)N1CCC([NH2+]Cc2nc(C(F)F)no2)CC1)[NH+](C)C ZINC000996713358 703008205 /nfs/dbraw/zinc/00/82/05/703008205.db2.gz UHZKFSMSTHYKHM-LLVKDONJSA-N 2 1 345.394 1.428 20 0 EDADMP Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000996723480 703018578 /nfs/dbraw/zinc/01/85/78/703018578.db2.gz NHIVDDKNDYYBLQ-KRWDZBQOSA-N 2 1 331.464 1.350 20 0 EDADMP C[C@H](O)C[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000996752912 703042238 /nfs/dbraw/zinc/04/22/38/703042238.db2.gz QTSXVVXJZFVNBD-AWEZNQCLSA-N 2 1 325.497 1.601 20 0 EDADMP C[C@H]1C[N@@H+](CCn2cccn2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942594550 703107170 /nfs/dbraw/zinc/10/71/70/703107170.db2.gz KNPVZWQIUQHZSR-DOTOQJQBSA-N 2 1 333.480 1.052 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)nn1C ZINC000942598496 703113807 /nfs/dbraw/zinc/11/38/07/703113807.db2.gz YGUVYELKQDFUFG-RDTXWAMCSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)nn1C ZINC000942598496 703113809 /nfs/dbraw/zinc/11/38/09/703113809.db2.gz YGUVYELKQDFUFG-RDTXWAMCSA-N 2 1 347.507 1.397 20 0 EDADMP CCn1nncc1CN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000996981433 703236357 /nfs/dbraw/zinc/23/63/57/703236357.db2.gz VCUSKQHOTPYSTH-PBHICJAKSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1nncc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000996981433 703236361 /nfs/dbraw/zinc/23/63/61/703236361.db2.gz VCUSKQHOTPYSTH-PBHICJAKSA-N 2 1 348.495 1.109 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC000996998677 703255634 /nfs/dbraw/zinc/25/56/34/703255634.db2.gz KHWXZIOMDGZZAN-WBVHZDCISA-N 2 1 339.524 1.970 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC000996998677 703255635 /nfs/dbraw/zinc/25/56/35/703255635.db2.gz KHWXZIOMDGZZAN-WBVHZDCISA-N 2 1 339.524 1.970 20 0 EDADMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC000997008953 703260940 /nfs/dbraw/zinc/26/09/40/703260940.db2.gz NJVGAYKOKMKRLU-RHSMWYFYSA-N 2 1 346.475 1.369 20 0 EDADMP Cc1ncsc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000997006341 703263560 /nfs/dbraw/zinc/26/35/60/703263560.db2.gz KZCMIBBKDAHSGB-ZDUSSCGKSA-N 2 1 336.505 1.874 20 0 EDADMP Cn1ccnc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000997006565 703263826 /nfs/dbraw/zinc/26/38/26/703263826.db2.gz MVPRMMKZCIHABL-UHFFFAOYSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000997008503 703266425 /nfs/dbraw/zinc/26/64/25/703266425.db2.gz MXOZRZGREDDAJR-KBXCAEBGSA-N 2 1 345.491 1.108 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997063808 703308587 /nfs/dbraw/zinc/30/85/87/703308587.db2.gz RERRWNANYCTBHD-KRWDZBQOSA-N 2 1 345.491 1.820 20 0 EDADMP Cc1ncsc1CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001032411261 703443082 /nfs/dbraw/zinc/44/30/82/703443082.db2.gz KWUGOLPDANRZDV-FXUDXRNXSA-N 2 1 348.516 1.619 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001032411261 703443084 /nfs/dbraw/zinc/44/30/84/703443084.db2.gz KWUGOLPDANRZDV-FXUDXRNXSA-N 2 1 348.516 1.619 20 0 EDADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001032411261 703443085 /nfs/dbraw/zinc/44/30/85/703443085.db2.gz KWUGOLPDANRZDV-FXUDXRNXSA-N 2 1 348.516 1.619 20 0 EDADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001032411261 703443087 /nfs/dbraw/zinc/44/30/87/703443087.db2.gz KWUGOLPDANRZDV-FXUDXRNXSA-N 2 1 348.516 1.619 20 0 EDADMP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001032411261 703443088 /nfs/dbraw/zinc/44/30/88/703443088.db2.gz KWUGOLPDANRZDV-FXUDXRNXSA-N 2 1 348.516 1.619 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCOCC2)CC[N@H+]1C ZINC001032411722 703447407 /nfs/dbraw/zinc/44/74/07/703447407.db2.gz WKEIYTZCNQEAQF-LAVFITLUSA-N 2 1 335.492 1.428 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCOCC2)CC[NH+]1C ZINC001032411722 703447409 /nfs/dbraw/zinc/44/74/09/703447409.db2.gz WKEIYTZCNQEAQF-LAVFITLUSA-N 2 1 335.492 1.428 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCOCC2)CC[NH+]1C ZINC001032411722 703447410 /nfs/dbraw/zinc/44/74/10/703447410.db2.gz WKEIYTZCNQEAQF-LAVFITLUSA-N 2 1 335.492 1.428 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997179573 703463745 /nfs/dbraw/zinc/46/37/45/703463745.db2.gz CHLSEVYBQWUBKD-CRAIPNDOSA-N 2 1 347.507 1.621 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997187165 703476576 /nfs/dbraw/zinc/47/65/76/703476576.db2.gz WWWOAQUXERPDHW-HNNXBMFYSA-N 2 1 346.475 1.513 20 0 EDADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000997275572 703535534 /nfs/dbraw/zinc/53/55/34/703535534.db2.gz WTKVZFXTNXOJBR-NUJGCVRESA-N 2 1 337.508 1.724 20 0 EDADMP Cn1cc(Cl)c(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997297923 703556093 /nfs/dbraw/zinc/55/60/93/703556093.db2.gz HJUUTHJESUTUDO-GFCCVEGCSA-N 2 1 339.871 1.106 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3nc(C(F)F)no3)CC2)C1 ZINC000997297880 703556214 /nfs/dbraw/zinc/55/62/14/703556214.db2.gz GUVGRHJQSGOECB-JTQLQIEISA-N 2 1 343.378 1.040 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3nc(C(F)F)no3)CC2)C1 ZINC000997297880 703556216 /nfs/dbraw/zinc/55/62/16/703556216.db2.gz GUVGRHJQSGOECB-JTQLQIEISA-N 2 1 343.378 1.040 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3c(F)cccc3F)CC2)C1 ZINC000997299029 703556646 /nfs/dbraw/zinc/55/66/46/703556646.db2.gz MMNDWVPLCIATLY-ZDUSSCGKSA-N 2 1 337.414 1.997 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3csc(Cl)n3)CC2)C1 ZINC000997304512 703564175 /nfs/dbraw/zinc/56/41/75/703564175.db2.gz VQQIJQXMKXYDDO-NSHDSACASA-N 2 1 342.896 1.829 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nccc(C)n2)CC1 ZINC000997365303 703597171 /nfs/dbraw/zinc/59/71/71/703597171.db2.gz RAAMPZQJMRNTOU-QGZVFWFLSA-N 2 1 345.491 1.740 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)n1 ZINC000997361134 703598382 /nfs/dbraw/zinc/59/83/82/703598382.db2.gz SZVIHJOHDVSURF-ZIAGYGMSSA-N 2 1 349.479 1.585 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000997366733 703600744 /nfs/dbraw/zinc/60/07/44/703600744.db2.gz FIDUZYJSGMJDFW-UHFFFAOYSA-N 2 1 349.479 1.589 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCn2cccn2)C1 ZINC001032440776 703611059 /nfs/dbraw/zinc/61/10/59/703611059.db2.gz UTQQNTYRLUVOSF-BZSNNMDCSA-N 2 1 345.491 1.146 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCn2cccn2)C1 ZINC001032440776 703611060 /nfs/dbraw/zinc/61/10/60/703611060.db2.gz UTQQNTYRLUVOSF-BZSNNMDCSA-N 2 1 345.491 1.146 20 0 EDADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCn2cccn2)C1 ZINC001032440776 703611062 /nfs/dbraw/zinc/61/10/62/703611062.db2.gz UTQQNTYRLUVOSF-BZSNNMDCSA-N 2 1 345.491 1.146 20 0 EDADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCn2cccn2)C1 ZINC001032440776 703611064 /nfs/dbraw/zinc/61/10/64/703611064.db2.gz UTQQNTYRLUVOSF-BZSNNMDCSA-N 2 1 345.491 1.146 20 0 EDADMP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997420286 703670251 /nfs/dbraw/zinc/67/02/51/703670251.db2.gz FWWKBDHLUIDADU-CZUORRHYSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997421801 703670945 /nfs/dbraw/zinc/67/09/45/703670945.db2.gz RZMLQVJJCUHSGW-ZBFHGGJFSA-N 2 1 333.480 1.089 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCOC1)C12CCC[NH+](CCC1)C2 ZINC001032471636 703687163 /nfs/dbraw/zinc/68/71/63/703687163.db2.gz CNEHPIBHVPIUHX-BZSNNMDCSA-N 2 1 347.503 1.574 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995551847 703958184 /nfs/dbraw/zinc/95/81/84/703958184.db2.gz OSZLHCOPPSHJPU-CABCVRRESA-N 2 1 348.495 1.280 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995551847 703958188 /nfs/dbraw/zinc/95/81/88/703958188.db2.gz OSZLHCOPPSHJPU-CABCVRRESA-N 2 1 348.495 1.280 20 0 EDADMP CCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)o1 ZINC000995551966 703958617 /nfs/dbraw/zinc/95/86/17/703958617.db2.gz PBOHZLFEUFCFQF-ZBFHGGJFSA-N 2 1 348.491 1.966 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082183 704137948 /nfs/dbraw/zinc/13/79/48/704137948.db2.gz OUIIFDCNDODQNN-RTBURBONSA-N 2 1 342.487 1.765 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033083475 704141618 /nfs/dbraw/zinc/14/16/18/704141618.db2.gz XKDLDWHOKMLMHV-ROUUACIJSA-N 2 1 346.450 1.595 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033083475 704141619 /nfs/dbraw/zinc/14/16/19/704141619.db2.gz XKDLDWHOKMLMHV-ROUUACIJSA-N 2 1 346.450 1.595 20 0 EDADMP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033090126 704172199 /nfs/dbraw/zinc/17/21/99/704172199.db2.gz FUXWDRTYUFHNAJ-QRVBRYPASA-N 2 1 349.519 1.676 20 0 EDADMP CN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033095515 704182842 /nfs/dbraw/zinc/18/28/42/704182842.db2.gz YUTVGUUVPLDWLQ-XJKSGUPXSA-N 2 1 337.443 1.682 20 0 EDADMP CN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033095515 704182844 /nfs/dbraw/zinc/18/28/44/704182844.db2.gz YUTVGUUVPLDWLQ-XJKSGUPXSA-N 2 1 337.443 1.682 20 0 EDADMP CN(C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)[C@H]1CC[NH+](CCCF)C1 ZINC001033095515 704182846 /nfs/dbraw/zinc/18/28/46/704182846.db2.gz YUTVGUUVPLDWLQ-XJKSGUPXSA-N 2 1 337.443 1.682 20 0 EDADMP CN(C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)[C@H]1CC[NH+](CCCF)C1 ZINC001033095515 704182847 /nfs/dbraw/zinc/18/28/47/704182847.db2.gz YUTVGUUVPLDWLQ-XJKSGUPXSA-N 2 1 337.443 1.682 20 0 EDADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597791 704294614 /nfs/dbraw/zinc/29/46/14/704294614.db2.gz KLCDRZOJHWYSIC-FCGDIQPGSA-N 2 1 349.519 1.820 20 0 EDADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597791 704294616 /nfs/dbraw/zinc/29/46/16/704294616.db2.gz KLCDRZOJHWYSIC-FCGDIQPGSA-N 2 1 349.519 1.820 20 0 EDADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597791 704294618 /nfs/dbraw/zinc/29/46/18/704294618.db2.gz KLCDRZOJHWYSIC-FCGDIQPGSA-N 2 1 349.519 1.820 20 0 EDADMP O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[C@H]2C[NH+](CC3CC3)C[C@H]2CC1 ZINC000946598086 704311354 /nfs/dbraw/zinc/31/13/54/704311354.db2.gz XOMQZCCGVFSJJC-RDGPPVDQSA-N 2 1 347.503 1.430 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC[C@H]2CO1)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC000946598086 704311356 /nfs/dbraw/zinc/31/13/56/704311356.db2.gz XOMQZCCGVFSJJC-RDGPPVDQSA-N 2 1 347.503 1.430 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC[C@H]2CO1)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC000946598086 704311358 /nfs/dbraw/zinc/31/13/58/704311358.db2.gz XOMQZCCGVFSJJC-RDGPPVDQSA-N 2 1 347.503 1.430 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000999307413 706807604 /nfs/dbraw/zinc/80/76/04/706807604.db2.gz OFBAMEKGZIVDCC-NVXWUHKLSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000999307413 706807607 /nfs/dbraw/zinc/80/76/07/706807607.db2.gz OFBAMEKGZIVDCC-NVXWUHKLSA-N 2 1 348.495 1.253 20 0 EDADMP CCC[N@@H+](C)CC(=O)N(C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001067635970 704390851 /nfs/dbraw/zinc/39/08/51/704390851.db2.gz DTTPNPDXYAMULT-UHFFFAOYSA-N 2 1 340.512 1.119 20 0 EDADMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004436655 704411127 /nfs/dbraw/zinc/41/11/27/704411127.db2.gz HBIYEDVTRHYDEF-MOPGFXCFSA-N 2 1 349.519 1.414 20 0 EDADMP Cc1nnc([C@H](C)[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997708863 704602420 /nfs/dbraw/zinc/60/24/20/704602420.db2.gz YJKNEHZHCJONRZ-HEHGZKQESA-N 2 1 349.479 1.750 20 0 EDADMP Cc1nnc([C@H](C)[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000997708863 704602421 /nfs/dbraw/zinc/60/24/21/704602421.db2.gz YJKNEHZHCJONRZ-HEHGZKQESA-N 2 1 349.479 1.750 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3csnn3)CC2)CC[N@H+]1C ZINC000997786645 704692878 /nfs/dbraw/zinc/69/28/78/704692878.db2.gz UUTIVVMTFLSULF-IUODEOHRSA-N 2 1 337.493 1.207 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3nnc(C)[nH]3)CC2)CC[N@H+]1C ZINC000997792423 704700264 /nfs/dbraw/zinc/70/02/64/704700264.db2.gz GONXQKDVZFSQIR-JKSUJKDBSA-N 2 1 348.495 1.172 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nonc2C)CC1 ZINC000997820906 704739789 /nfs/dbraw/zinc/73/97/89/704739789.db2.gz KKDYJAANLMDHHZ-QGZVFWFLSA-N 2 1 349.479 1.581 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000997819851 704741039 /nfs/dbraw/zinc/74/10/39/704741039.db2.gz DXHVWAFZKWCJOG-GOSISDBHSA-N 2 1 347.507 1.623 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]Cc2csnn2)CC1)C1CCC1 ZINC000997829807 704748378 /nfs/dbraw/zinc/74/83/78/704748378.db2.gz CNNFSUJXLKITJB-UHFFFAOYSA-N 2 1 337.493 1.351 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000997867544 704774424 /nfs/dbraw/zinc/77/44/24/704774424.db2.gz PNUVUEURNIMLIZ-RDJZCZTQSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000997867544 704774425 /nfs/dbraw/zinc/77/44/25/704774425.db2.gz PNUVUEURNIMLIZ-RDJZCZTQSA-N 2 1 347.507 1.397 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2nccnc2C)C[C@H]1C ZINC000944942765 704795147 /nfs/dbraw/zinc/79/51/47/704795147.db2.gz CXIUDBZFXQHMFB-CJNGLKHVSA-N 2 1 342.447 1.317 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2nccnc2C)C[C@H]1C ZINC000944942765 704795149 /nfs/dbraw/zinc/79/51/49/704795149.db2.gz CXIUDBZFXQHMFB-CJNGLKHVSA-N 2 1 342.447 1.317 20 0 EDADMP Cc1nccn1CC(=O)N[C@@H]1CC[N@H+](CCC(F)(F)F)C[C@H]1C ZINC000944965640 704836416 /nfs/dbraw/zinc/83/64/16/704836416.db2.gz TVUHJLUVJRANGX-DGCLKSJQSA-N 2 1 332.370 1.971 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCC(F)(F)F)C[C@H]1C ZINC000944965640 704836419 /nfs/dbraw/zinc/83/64/19/704836419.db2.gz TVUHJLUVJRANGX-DGCLKSJQSA-N 2 1 332.370 1.971 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCC(F)(F)F)C[C@H]1C ZINC000944965640 704836422 /nfs/dbraw/zinc/83/64/22/704836422.db2.gz TVUHJLUVJRANGX-DGCLKSJQSA-N 2 1 332.370 1.971 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC000997913547 704974506 /nfs/dbraw/zinc/97/45/06/704974506.db2.gz BDAFADKFRTXZNS-DOTOQJQBSA-N 2 1 334.464 1.587 20 0 EDADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997930682 705036497 /nfs/dbraw/zinc/03/64/97/705036497.db2.gz OJAFGUPUPCDXTK-QPIRBTGLSA-N 2 1 347.503 1.478 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2cncn2C)CC1 ZINC000997948030 705069112 /nfs/dbraw/zinc/06/91/12/705069112.db2.gz GAXCQQPKCJGJNX-FUHWJXTLSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2cncn2C)CC1 ZINC000997948030 705069118 /nfs/dbraw/zinc/06/91/18/705069118.db2.gz GAXCQQPKCJGJNX-FUHWJXTLSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2cncn2C)CC1 ZINC000997948030 705069124 /nfs/dbraw/zinc/06/91/24/705069124.db2.gz GAXCQQPKCJGJNX-FUHWJXTLSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2cnnn2C)CC1 ZINC000997950737 705077083 /nfs/dbraw/zinc/07/70/83/705077083.db2.gz STPSLWSBGQUFCT-RDJZCZTQSA-N 2 1 348.495 1.112 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2cnnn2C)CC1 ZINC000997950737 705077084 /nfs/dbraw/zinc/07/70/84/705077084.db2.gz STPSLWSBGQUFCT-RDJZCZTQSA-N 2 1 348.495 1.112 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2cnnn2C)CC1 ZINC000997950737 705077088 /nfs/dbraw/zinc/07/70/88/705077088.db2.gz STPSLWSBGQUFCT-RDJZCZTQSA-N 2 1 348.495 1.112 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2cnnn2C)CC1 ZINC000997950737 705077090 /nfs/dbraw/zinc/07/70/90/705077090.db2.gz STPSLWSBGQUFCT-RDJZCZTQSA-N 2 1 348.495 1.112 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000998081587 705302382 /nfs/dbraw/zinc/30/23/82/705302382.db2.gz JYLIUYAWGXZSML-ZDUSSCGKSA-N 2 1 337.493 1.351 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cn1 ZINC000998082044 705308710 /nfs/dbraw/zinc/30/87/10/705308710.db2.gz NHHDYLKQFYRJOK-HNNXBMFYSA-N 2 1 345.491 1.455 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000998082215 705309352 /nfs/dbraw/zinc/30/93/52/705309352.db2.gz OPEKDOMBKBYXRX-AWEZNQCLSA-N 2 1 336.505 1.956 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000998083600 705312785 /nfs/dbraw/zinc/31/27/85/705312785.db2.gz WSKBSMJNUJLUKP-IUODEOHRSA-N 2 1 337.493 1.064 20 0 EDADMP C[C@H]([NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1)c1nncn1C ZINC000998084097 705314630 /nfs/dbraw/zinc/31/46/30/705314630.db2.gz ZOCRSUWKQSHQBT-CABCVRRESA-N 2 1 348.495 1.189 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC000998186671 705490517 /nfs/dbraw/zinc/49/05/17/705490517.db2.gz BQCBYVIVJJYXJI-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000998186671 705490519 /nfs/dbraw/zinc/49/05/19/705490519.db2.gz BQCBYVIVJJYXJI-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC000998186671 705490520 /nfs/dbraw/zinc/49/05/20/705490520.db2.gz BQCBYVIVJJYXJI-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC000998186671 705490521 /nfs/dbraw/zinc/49/05/21/705490521.db2.gz BQCBYVIVJJYXJI-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CCn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C(C)C)[NH+](C)C)cn1 ZINC001032611554 705579676 /nfs/dbraw/zinc/57/96/76/705579676.db2.gz NSTCIFNKYPWTRJ-OKZBNKHCSA-N 2 1 347.507 1.317 20 0 EDADMP CCn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C(C)C)[NH+](C)C)cn1 ZINC001032611554 705579678 /nfs/dbraw/zinc/57/96/78/705579678.db2.gz NSTCIFNKYPWTRJ-OKZBNKHCSA-N 2 1 347.507 1.317 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nonc2C)CC1 ZINC000998288360 705684095 /nfs/dbraw/zinc/68/40/95/705684095.db2.gz UWSANKIBOURQQN-KRWDZBQOSA-N 2 1 349.479 1.581 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000998288962 705689369 /nfs/dbraw/zinc/68/93/69/705689369.db2.gz YRXRQBSHYQHYJE-SFHVURJKSA-N 2 1 347.507 1.623 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC000998309108 705715113 /nfs/dbraw/zinc/71/51/13/705715113.db2.gz CVGXNTJMGMUOFH-ZIAGYGMSSA-N 2 1 344.381 1.971 20 0 EDADMP Cc1nc(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cs1 ZINC000998722703 706154119 /nfs/dbraw/zinc/15/41/19/706154119.db2.gz PYBMZEPQNYNFOA-ZBFHGGJFSA-N 2 1 336.505 1.669 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2coc(C3CC3)n2)C1 ZINC000998734964 706168277 /nfs/dbraw/zinc/16/82/77/706168277.db2.gz YGHJDZBBTXCWTH-GOEBONIOSA-N 2 1 332.448 1.727 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000998734964 706168286 /nfs/dbraw/zinc/16/82/86/706168286.db2.gz YGHJDZBBTXCWTH-GOEBONIOSA-N 2 1 332.448 1.727 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC000998780624 706221797 /nfs/dbraw/zinc/22/17/97/706221797.db2.gz RVOUTGQSTLXHRQ-NRXISQOPSA-N 2 1 347.463 1.053 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(F)cc3)C2)C1 ZINC000998812413 706255757 /nfs/dbraw/zinc/25/57/57/706255757.db2.gz OQGXYHROVGXDAO-SJORKVTESA-N 2 1 335.423 1.237 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(F)cc3)C2)C1 ZINC000998812413 706255761 /nfs/dbraw/zinc/25/57/61/706255761.db2.gz OQGXYHROVGXDAO-SJORKVTESA-N 2 1 335.423 1.237 20 0 EDADMP CCc1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998822594 706269357 /nfs/dbraw/zinc/26/93/57/706269357.db2.gz GVSMFBJKRTYHKK-OALUTQOASA-N 2 1 345.487 1.660 20 0 EDADMP CCc1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998822594 706269359 /nfs/dbraw/zinc/26/93/59/706269359.db2.gz GVSMFBJKRTYHKK-OALUTQOASA-N 2 1 345.487 1.660 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000998995959 706413783 /nfs/dbraw/zinc/41/37/83/706413783.db2.gz WSUILVQRIDZHKA-DAWZGUTISA-N 2 1 337.508 1.866 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999036326 706451011 /nfs/dbraw/zinc/45/10/11/706451011.db2.gz STDSNYAZMWOSOS-VJFUWPCTSA-N 2 1 347.507 1.620 20 0 EDADMP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999145800 706559489 /nfs/dbraw/zinc/55/94/89/706559489.db2.gz SVSVKHQZVHHNOR-SJLPKXTDSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)nc1 ZINC000999362438 706875915 /nfs/dbraw/zinc/87/59/15/706875915.db2.gz ASRYKUHXQGNOIV-HNNXBMFYSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)nc1 ZINC000999362438 706875918 /nfs/dbraw/zinc/87/59/18/706875918.db2.gz ASRYKUHXQGNOIV-HNNXBMFYSA-N 2 1 331.464 1.350 20 0 EDADMP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000999362423 706876201 /nfs/dbraw/zinc/87/62/01/706876201.db2.gz AMLOQAFXEHZCAR-INIZCTEOSA-N 2 1 346.475 1.655 20 0 EDADMP COc1cccc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC000999398897 706893220 /nfs/dbraw/zinc/89/32/20/706893220.db2.gz AXZIASVLQOYULN-OOHWJJMZSA-N 2 1 346.475 1.654 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)nc1 ZINC000999404390 706913273 /nfs/dbraw/zinc/91/32/73/706913273.db2.gz ZWWNEFWLFAAZSA-DLBZAZTESA-N 2 1 345.491 1.740 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000999404390 706913274 /nfs/dbraw/zinc/91/32/74/706913274.db2.gz ZWWNEFWLFAAZSA-DLBZAZTESA-N 2 1 345.491 1.740 20 0 EDADMP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC000999407102 706916530 /nfs/dbraw/zinc/91/65/30/706916530.db2.gz DECSMZJXYRMOST-RWBZWWBESA-N 2 1 347.507 1.421 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC([NH2+]CC[C@H]2CCOC2)C1 ZINC000999407856 706917790 /nfs/dbraw/zinc/91/77/90/706917790.db2.gz HJPPIUUQIHIDJW-GTPINHCMSA-N 2 1 337.508 1.724 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC001060879919 706991197 /nfs/dbraw/zinc/99/11/97/706991197.db2.gz QLDWGXFIVXYYHQ-CABCVRRESA-N 2 1 331.464 1.560 20 0 EDADMP CCc1cc(NC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC001060879919 706991201 /nfs/dbraw/zinc/99/12/01/706991201.db2.gz QLDWGXFIVXYYHQ-CABCVRRESA-N 2 1 331.464 1.560 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2noc3c2CCCC3)C1)[NH+](C)C ZINC000999498045 706996001 /nfs/dbraw/zinc/99/60/01/706996001.db2.gz UKUSCQNLLBFZSX-WMLDXEAASA-N 2 1 348.491 1.974 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3F)C2)O1 ZINC000999492362 707028954 /nfs/dbraw/zinc/02/89/54/707028954.db2.gz ALHALFYXHIJANA-UWWQBHOKSA-N 2 1 349.450 1.625 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3F)C2)O1 ZINC000999492362 707028958 /nfs/dbraw/zinc/02/89/58/707028958.db2.gz ALHALFYXHIJANA-UWWQBHOKSA-N 2 1 349.450 1.625 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC000999495858 707032563 /nfs/dbraw/zinc/03/25/63/707032563.db2.gz LNYIYQJLTYZOJU-NZSAHSFTSA-N 2 1 345.487 1.795 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC000999495858 707032564 /nfs/dbraw/zinc/03/25/64/707032564.db2.gz LNYIYQJLTYZOJU-NZSAHSFTSA-N 2 1 345.487 1.795 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)o1 ZINC000999682566 707168028 /nfs/dbraw/zinc/16/80/28/707168028.db2.gz PTZASISEUGDLCZ-WLYUNCDWSA-N 2 1 349.479 1.614 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC000999682566 707168032 /nfs/dbraw/zinc/16/80/32/707168032.db2.gz PTZASISEUGDLCZ-WLYUNCDWSA-N 2 1 349.479 1.614 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033183142 707359243 /nfs/dbraw/zinc/35/92/43/707359243.db2.gz VEXNZKIGDCEDNP-MRXNPFEDSA-N 2 1 345.491 1.329 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033183142 707359244 /nfs/dbraw/zinc/35/92/44/707359244.db2.gz VEXNZKIGDCEDNP-MRXNPFEDSA-N 2 1 345.491 1.329 20 0 EDADMP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]([NH2+]Cc2ccon2)C1 ZINC000999794150 707365417 /nfs/dbraw/zinc/36/54/17/707365417.db2.gz SAXFMFDQMYNOAJ-IRXDYDNUSA-N 2 1 332.448 1.630 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)co1 ZINC000999788229 707405006 /nfs/dbraw/zinc/40/50/06/707405006.db2.gz CBDMKJBQOOQMJI-SJLPKXTDSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)co1 ZINC000999788231 707405059 /nfs/dbraw/zinc/40/50/59/707405059.db2.gz CBDMKJBQOOQMJI-WMZOPIPTSA-N 2 1 346.475 1.938 20 0 EDADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033198117 707459651 /nfs/dbraw/zinc/45/96/51/707459651.db2.gz KSBKZOFXCWFJPV-RTBURBONSA-N 2 1 345.487 1.696 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033198117 707459654 /nfs/dbraw/zinc/45/96/54/707459654.db2.gz KSBKZOFXCWFJPV-RTBURBONSA-N 2 1 345.487 1.696 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033198117 707459658 /nfs/dbraw/zinc/45/96/58/707459658.db2.gz KSBKZOFXCWFJPV-RTBURBONSA-N 2 1 345.487 1.696 20 0 EDADMP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357381 707675314 /nfs/dbraw/zinc/67/53/14/707675314.db2.gz DYYAWSNEQUAAHQ-SJORKVTESA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357381 707675316 /nfs/dbraw/zinc/67/53/16/707675316.db2.gz DYYAWSNEQUAAHQ-SJORKVTESA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357381 707675319 /nfs/dbraw/zinc/67/53/19/707675319.db2.gz DYYAWSNEQUAAHQ-SJORKVTESA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357381 707675323 /nfs/dbraw/zinc/67/53/23/707675323.db2.gz DYYAWSNEQUAAHQ-SJORKVTESA-N 2 1 325.497 1.674 20 0 EDADMP C[C@H]([NH2+]Cc1cnon1)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001004949309 707724243 /nfs/dbraw/zinc/72/42/43/707724243.db2.gz XKAIVBMWRFUQMC-WMLDXEAASA-N 2 1 349.479 1.661 20 0 EDADMP C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001004949303 707724251 /nfs/dbraw/zinc/72/42/51/707724251.db2.gz XKAIVBMWRFUQMC-PBHICJAKSA-N 2 1 349.479 1.661 20 0 EDADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033418439 707803245 /nfs/dbraw/zinc/80/32/45/707803245.db2.gz CFFNZASPUQSESM-GOEBONIOSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033418439 707803248 /nfs/dbraw/zinc/80/32/48/707803248.db2.gz CFFNZASPUQSESM-GOEBONIOSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033418439 707803252 /nfs/dbraw/zinc/80/32/52/707803252.db2.gz CFFNZASPUQSESM-GOEBONIOSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033418439 707803256 /nfs/dbraw/zinc/80/32/56/707803256.db2.gz CFFNZASPUQSESM-GOEBONIOSA-N 2 1 348.491 1.920 20 0 EDADMP Cc1conc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004983957 707829955 /nfs/dbraw/zinc/82/99/55/707829955.db2.gz SLJPOUNVWQCCAS-NVXWUHKLSA-N 2 1 346.475 1.938 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)cn1 ZINC001033421016 707832406 /nfs/dbraw/zinc/83/24/06/707832406.db2.gz UGPVRKKOHDSTBP-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)cn1 ZINC001033421016 707832408 /nfs/dbraw/zinc/83/24/08/707832408.db2.gz UGPVRKKOHDSTBP-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC001033421016 707832411 /nfs/dbraw/zinc/83/24/11/707832411.db2.gz UGPVRKKOHDSTBP-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)cn1 ZINC001033421016 707832414 /nfs/dbraw/zinc/83/24/14/707832414.db2.gz UGPVRKKOHDSTBP-RDJZCZTQSA-N 2 1 346.475 1.465 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033424618 707842220 /nfs/dbraw/zinc/84/22/20/707842220.db2.gz FCUVDDAKNXPJGO-KRWDZBQOSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033424618 707842223 /nfs/dbraw/zinc/84/22/23/707842223.db2.gz FCUVDDAKNXPJGO-KRWDZBQOSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033424618 707842227 /nfs/dbraw/zinc/84/22/27/707842227.db2.gz FCUVDDAKNXPJGO-KRWDZBQOSA-N 2 1 330.476 1.846 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033424618 707842230 /nfs/dbraw/zinc/84/22/30/707842230.db2.gz FCUVDDAKNXPJGO-KRWDZBQOSA-N 2 1 330.476 1.846 20 0 EDADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)no1 ZINC001004990583 707851951 /nfs/dbraw/zinc/85/19/51/707851951.db2.gz IQEMLGMDDLDWIK-RDJZCZTQSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cncn1C ZINC001004993120 707875704 /nfs/dbraw/zinc/87/57/04/707875704.db2.gz PTPPZZLGBKZURE-PBHICJAKSA-N 2 1 344.463 1.484 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000921717651 707899398 /nfs/dbraw/zinc/89/93/98/707899398.db2.gz UQGPEPQPVRAFRF-LZLYRXPVSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cc(NC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nc(C)[nH+]1 ZINC001060933725 707952355 /nfs/dbraw/zinc/95/23/55/707952355.db2.gz SDYSWNVMJBFISZ-WMLDXEAASA-N 2 1 331.464 1.694 20 0 EDADMP CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033539964 708196314 /nfs/dbraw/zinc/19/63/14/708196314.db2.gz NBEXJHKPOLTRAP-QGZVFWFLSA-N 2 1 325.416 1.824 20 0 EDADMP CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033539964 708196316 /nfs/dbraw/zinc/19/63/16/708196316.db2.gz NBEXJHKPOLTRAP-QGZVFWFLSA-N 2 1 325.416 1.824 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001005208218 708229516 /nfs/dbraw/zinc/22/95/16/708229516.db2.gz DFNIHWJDDGWIEJ-SFHVURJKSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001005208218 708229518 /nfs/dbraw/zinc/22/95/18/708229518.db2.gz DFNIHWJDDGWIEJ-SFHVURJKSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033591455 708289267 /nfs/dbraw/zinc/28/92/67/708289267.db2.gz CGOCARAXSSZOSY-QZTJIDSGSA-N 2 1 349.519 1.556 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033595428 708299334 /nfs/dbraw/zinc/29/93/34/708299334.db2.gz TZTXPPYCVNNGDK-KBPBESRZSA-N 2 1 343.418 1.039 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)no1 ZINC001001794931 708309573 /nfs/dbraw/zinc/30/95/73/708309573.db2.gz MUIZJMCLYBPIQI-UHFFFAOYSA-N 2 1 334.464 1.653 20 0 EDADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2cscn2)CC1 ZINC001001826190 708328480 /nfs/dbraw/zinc/32/84/80/708328480.db2.gz SAISONGEOQLRBC-XJKSGUPXSA-N 2 1 336.505 1.669 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2cscn2)CC1 ZINC001001826190 708328484 /nfs/dbraw/zinc/32/84/84/708328484.db2.gz SAISONGEOQLRBC-XJKSGUPXSA-N 2 1 336.505 1.669 20 0 EDADMP CN(C)c1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033658139 708424859 /nfs/dbraw/zinc/42/48/59/708424859.db2.gz PQKXWVGYHJFVOF-SFHVURJKSA-N 2 1 344.503 1.881 20 0 EDADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC001033663692 708444404 /nfs/dbraw/zinc/44/44/04/708444404.db2.gz YAERQLVZZVCOCB-DOTOQJQBSA-N 2 1 349.450 1.689 20 0 EDADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC001033663692 708444406 /nfs/dbraw/zinc/44/44/06/708444406.db2.gz YAERQLVZZVCOCB-DOTOQJQBSA-N 2 1 349.450 1.689 20 0 EDADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC001033663692 708444408 /nfs/dbraw/zinc/44/44/08/708444408.db2.gz YAERQLVZZVCOCB-DOTOQJQBSA-N 2 1 349.450 1.689 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC001033672384 708463842 /nfs/dbraw/zinc/46/38/42/708463842.db2.gz PFPCAFVHJZZMFH-OALUTQOASA-N 2 1 345.487 1.483 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC001033672384 708463844 /nfs/dbraw/zinc/46/38/44/708463844.db2.gz PFPCAFVHJZZMFH-OALUTQOASA-N 2 1 345.487 1.483 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001033672384 708463846 /nfs/dbraw/zinc/46/38/46/708463846.db2.gz PFPCAFVHJZZMFH-OALUTQOASA-N 2 1 345.487 1.483 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001033672384 708463848 /nfs/dbraw/zinc/46/38/48/708463848.db2.gz PFPCAFVHJZZMFH-OALUTQOASA-N 2 1 345.487 1.483 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC001033659895 708472401 /nfs/dbraw/zinc/47/24/01/708472401.db2.gz ZOSASEZWJZLSHQ-ROUUACIJSA-N 2 1 337.508 1.820 20 0 EDADMP COc1ccc(F)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033663254 708480055 /nfs/dbraw/zinc/48/00/55/708480055.db2.gz UYPDAELMVJEAFV-RHSMWYFYSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(F)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033663254 708480059 /nfs/dbraw/zinc/48/00/59/708480059.db2.gz UYPDAELMVJEAFV-RHSMWYFYSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(F)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033663254 708480063 /nfs/dbraw/zinc/48/00/63/708480063.db2.gz UYPDAELMVJEAFV-RHSMWYFYSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(F)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033663254 708480066 /nfs/dbraw/zinc/48/00/66/708480066.db2.gz UYPDAELMVJEAFV-RHSMWYFYSA-N 2 1 349.450 1.819 20 0 EDADMP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033685025 708498275 /nfs/dbraw/zinc/49/82/75/708498275.db2.gz RLICTDVRPDGCDF-HKUYNNGSSA-N 2 1 345.487 1.931 20 0 EDADMP Cc1cnc([C@H](C)[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC001002042717 708564383 /nfs/dbraw/zinc/56/43/83/708564383.db2.gz HGGNDBACYORIQE-HNNXBMFYSA-N 2 1 346.475 1.968 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002127461 708643594 /nfs/dbraw/zinc/64/35/94/708643594.db2.gz ROECLFXALPFKFC-INIZCTEOSA-N 2 1 334.464 1.571 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](CCC[C@@H]3CCOC3)CC2)C1 ZINC001002128810 708645668 /nfs/dbraw/zinc/64/56/68/708645668.db2.gz ZQFFZIUYVJJVFW-MSOLQXFVSA-N 2 1 337.508 1.583 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+]([C@H](C)COC)CC1 ZINC001002156014 708670769 /nfs/dbraw/zinc/67/07/69/708670769.db2.gz FJLVRBCOAQRZQT-NVXWUHKLSA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](C[C@@H](C)OC)CC1 ZINC001002157661 708672093 /nfs/dbraw/zinc/67/20/93/708672093.db2.gz KXWWRZOSOXNOAN-NVXWUHKLSA-N 2 1 325.497 1.724 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001033830730 708852524 /nfs/dbraw/zinc/85/25/24/708852524.db2.gz MKMARVKWIAVPOQ-SJLPKXTDSA-N 2 1 346.475 1.748 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001033830730 708852527 /nfs/dbraw/zinc/85/25/27/708852527.db2.gz MKMARVKWIAVPOQ-SJLPKXTDSA-N 2 1 346.475 1.748 20 0 EDADMP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001005425443 708947016 /nfs/dbraw/zinc/94/70/16/708947016.db2.gz OSQJDWUWNXPKQK-ZWKOTPCHSA-N 2 1 337.508 1.819 20 0 EDADMP CO[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CCCC1 ZINC001002472638 709005701 /nfs/dbraw/zinc/00/57/01/709005701.db2.gz CKMBEGFROQOMCG-ROUUACIJSA-N 2 1 337.508 1.866 20 0 EDADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033896196 709013964 /nfs/dbraw/zinc/01/39/64/709013964.db2.gz CILGYOLAHPMOLX-MAUKXSAKSA-N 2 1 342.443 1.907 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001033932859 709112038 /nfs/dbraw/zinc/11/20/38/709112038.db2.gz UFUQKTHTZGCTBF-IAGOWNOFSA-N 2 1 325.497 1.674 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C(C)C)CCO1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033932859 709112039 /nfs/dbraw/zinc/11/20/39/709112039.db2.gz UFUQKTHTZGCTBF-IAGOWNOFSA-N 2 1 325.497 1.674 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001033932859 709112044 /nfs/dbraw/zinc/11/20/44/709112044.db2.gz UFUQKTHTZGCTBF-IAGOWNOFSA-N 2 1 325.497 1.674 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001033932859 709112047 /nfs/dbraw/zinc/11/20/47/709112047.db2.gz UFUQKTHTZGCTBF-IAGOWNOFSA-N 2 1 325.497 1.674 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC001034011881 709225130 /nfs/dbraw/zinc/22/51/30/709225130.db2.gz AISGONYPKASIBW-GOSISDBHSA-N 2 1 342.487 1.909 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC001034012575 709226055 /nfs/dbraw/zinc/22/60/55/709226055.db2.gz HHMRPUNCBRSAAE-HNNXBMFYSA-N 2 1 348.516 1.970 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC001034012575 709226060 /nfs/dbraw/zinc/22/60/60/709226060.db2.gz HHMRPUNCBRSAAE-HNNXBMFYSA-N 2 1 348.516 1.970 20 0 EDADMP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001005498544 709259042 /nfs/dbraw/zinc/25/90/42/709259042.db2.gz UETXOOLXCGMUBY-NVXWUHKLSA-N 2 1 346.475 1.720 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005499043 709275074 /nfs/dbraw/zinc/27/50/74/709275074.db2.gz XHAHGZCOGANXPK-IRXDYDNUSA-N 2 1 339.524 1.922 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034042303 709292434 /nfs/dbraw/zinc/29/24/34/709292434.db2.gz MXXUTWMZUOAMPZ-GDBMZVCRSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034042303 709292435 /nfs/dbraw/zinc/29/24/35/709292435.db2.gz MXXUTWMZUOAMPZ-GDBMZVCRSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034042303 709292436 /nfs/dbraw/zinc/29/24/36/709292436.db2.gz MXXUTWMZUOAMPZ-GDBMZVCRSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034042303 709292437 /nfs/dbraw/zinc/29/24/37/709292437.db2.gz MXXUTWMZUOAMPZ-GDBMZVCRSA-N 2 1 334.464 1.612 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCOCC2)C1 ZINC001034130560 709399773 /nfs/dbraw/zinc/39/97/73/709399773.db2.gz IOYPKACSALIMJE-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCOCC2)C1 ZINC001034130560 709399776 /nfs/dbraw/zinc/39/97/76/709399776.db2.gz IOYPKACSALIMJE-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCOCC2)C1 ZINC001034130560 709399778 /nfs/dbraw/zinc/39/97/78/709399778.db2.gz IOYPKACSALIMJE-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034131657 709401332 /nfs/dbraw/zinc/40/13/32/709401332.db2.gz OBGBNLHESNIKSJ-DOTOQJQBSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034131657 709401333 /nfs/dbraw/zinc/40/13/33/709401333.db2.gz OBGBNLHESNIKSJ-DOTOQJQBSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034131657 709401334 /nfs/dbraw/zinc/40/13/34/709401334.db2.gz OBGBNLHESNIKSJ-DOTOQJQBSA-N 2 1 334.464 1.856 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034131657 709401335 /nfs/dbraw/zinc/40/13/35/709401335.db2.gz OBGBNLHESNIKSJ-DOTOQJQBSA-N 2 1 334.464 1.856 20 0 EDADMP Cn1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)cn1 ZINC001002801547 709415858 /nfs/dbraw/zinc/41/58/58/709415858.db2.gz JIWNGYQTISPDJG-SJLPKXTDSA-N 2 1 345.491 1.375 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC(C)(C)C)C2)C1 ZINC001034148347 709419700 /nfs/dbraw/zinc/41/97/00/709419700.db2.gz IRYJTPYEXWWNQD-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC(C)(C)C)C2)C1 ZINC001034148347 709419704 /nfs/dbraw/zinc/41/97/04/709419704.db2.gz IRYJTPYEXWWNQD-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCC(C)(C)C)C2)C1 ZINC001034148347 709419705 /nfs/dbraw/zinc/41/97/05/709419705.db2.gz IRYJTPYEXWWNQD-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001034148347 709419708 /nfs/dbraw/zinc/41/97/08/709419708.db2.gz IRYJTPYEXWWNQD-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)sn1 ZINC001002831427 709442450 /nfs/dbraw/zinc/44/24/50/709442450.db2.gz FTFYPQHBIRYOFE-KRWDZBQOSA-N 2 1 348.516 1.874 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)nn1C ZINC001002833860 709449178 /nfs/dbraw/zinc/44/91/78/709449178.db2.gz QFCUKLGGQNHINS-GOSISDBHSA-N 2 1 345.491 1.151 20 0 EDADMP CC(C)C[C@H]1CN(C)CCN1S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000922029933 709457411 /nfs/dbraw/zinc/45/74/11/709457411.db2.gz TZHZWWCNNYDANH-IRXDYDNUSA-N 2 1 343.537 1.464 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cnc(C)o3)CC2)CC[N@@H+]1C ZINC001002859610 709467239 /nfs/dbraw/zinc/46/72/39/709467239.db2.gz PPZFHVRZVQDCOF-DLBZAZTESA-N 2 1 334.464 1.794 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cnc(C)o3)CC2)CC[N@H+]1C ZINC001002859610 709467240 /nfs/dbraw/zinc/46/72/40/709467240.db2.gz PPZFHVRZVQDCOF-DLBZAZTESA-N 2 1 334.464 1.794 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001002953740 709653743 /nfs/dbraw/zinc/65/37/43/709653743.db2.gz BZARBVDZTKIKSP-GOSISDBHSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H](CC)OC)CC1 ZINC001002956080 709658605 /nfs/dbraw/zinc/65/86/05/709658605.db2.gz PUZOBDLETUWKCO-IAGOWNOFSA-N 2 1 325.497 1.866 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034269525 709674328 /nfs/dbraw/zinc/67/43/28/709674328.db2.gz GDDHSFQPZVCQBK-DLBZAZTESA-N 2 1 333.480 1.338 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034269525 709674329 /nfs/dbraw/zinc/67/43/29/709674329.db2.gz GDDHSFQPZVCQBK-DLBZAZTESA-N 2 1 333.480 1.338 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCn2cccn2)C1 ZINC001034269525 709674331 /nfs/dbraw/zinc/67/43/31/709674331.db2.gz GDDHSFQPZVCQBK-DLBZAZTESA-N 2 1 333.480 1.338 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCn2cccn2)C1 ZINC001034269525 709674333 /nfs/dbraw/zinc/67/43/33/709674333.db2.gz GDDHSFQPZVCQBK-DLBZAZTESA-N 2 1 333.480 1.338 20 0 EDADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702627475 709706826 /nfs/dbraw/zinc/70/68/26/709706826.db2.gz COORDYBURPHNQQ-AYBZRNKSSA-N 2 1 331.460 1.270 20 0 EDADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702627475 709706828 /nfs/dbraw/zinc/70/68/28/709706828.db2.gz COORDYBURPHNQQ-AYBZRNKSSA-N 2 1 331.460 1.270 20 0 EDADMP COC[C@H](C)[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003011139 709783286 /nfs/dbraw/zinc/78/32/86/709783286.db2.gz MNENZOYSAPZGQI-RDJZCZTQSA-N 2 1 325.497 1.865 20 0 EDADMP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCn3cccn3)C2)CC1 ZINC001034462890 710031959 /nfs/dbraw/zinc/03/19/59/710031959.db2.gz PPYGZHJSLAZYDK-SFHVURJKSA-N 2 1 347.507 1.586 20 0 EDADMP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034490677 710108938 /nfs/dbraw/zinc/10/89/38/710108938.db2.gz MPRNRGAEDJJUKL-SJORKVTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034490677 710108942 /nfs/dbraw/zinc/10/89/42/710108942.db2.gz MPRNRGAEDJJUKL-SJORKVTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490677 710108945 /nfs/dbraw/zinc/10/89/45/710108945.db2.gz MPRNRGAEDJJUKL-SJORKVTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490677 710108947 /nfs/dbraw/zinc/10/89/47/710108947.db2.gz MPRNRGAEDJJUKL-SJORKVTESA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nocc1C[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034487175 710133905 /nfs/dbraw/zinc/13/39/05/710133905.db2.gz MHXOEPDUGLCVQT-MRXNPFEDSA-N 2 1 332.448 1.550 20 0 EDADMP Cc1nocc1C[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034487175 710133907 /nfs/dbraw/zinc/13/39/07/710133907.db2.gz MHXOEPDUGLCVQT-MRXNPFEDSA-N 2 1 332.448 1.550 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001034524243 710173289 /nfs/dbraw/zinc/17/32/89/710173289.db2.gz FDGPKINESQKHNJ-RHSMWYFYSA-N 2 1 334.439 1.643 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001034524243 710173290 /nfs/dbraw/zinc/17/32/90/710173290.db2.gz FDGPKINESQKHNJ-RHSMWYFYSA-N 2 1 334.439 1.643 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccc(F)cn3)C2)C1 ZINC001034524243 710173292 /nfs/dbraw/zinc/17/32/92/710173292.db2.gz FDGPKINESQKHNJ-RHSMWYFYSA-N 2 1 334.439 1.643 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccc(F)cn3)C2)C1 ZINC001034524243 710173295 /nfs/dbraw/zinc/17/32/95/710173295.db2.gz FDGPKINESQKHNJ-RHSMWYFYSA-N 2 1 334.439 1.643 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001034525839 710176707 /nfs/dbraw/zinc/17/67/07/710176707.db2.gz QHIISEMGUWUPAX-HOTGVXAUSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034525839 710176708 /nfs/dbraw/zinc/17/67/08/710176708.db2.gz QHIISEMGUWUPAX-HOTGVXAUSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034525839 710176709 /nfs/dbraw/zinc/17/67/09/710176709.db2.gz QHIISEMGUWUPAX-HOTGVXAUSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC001003319929 710248200 /nfs/dbraw/zinc/24/82/00/710248200.db2.gz YXCLOFKAIUITAM-MAUKXSAKSA-N 2 1 332.448 1.199 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000922164943 710317371 /nfs/dbraw/zinc/31/73/71/710317371.db2.gz TUWGKQJVVUTRFL-LJQANCHMSA-N 2 1 345.487 1.715 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2C)CC1 ZINC001034643033 710319001 /nfs/dbraw/zinc/31/90/01/710319001.db2.gz NNLVHVQFOVWRHO-JYJNAYRXSA-N 2 1 348.495 1.205 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001003491955 710374633 /nfs/dbraw/zinc/37/46/33/710374633.db2.gz IVWSRYJLFWBAJB-HOCLYGCPSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nccnc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001003491955 710374635 /nfs/dbraw/zinc/37/46/35/710374635.db2.gz IVWSRYJLFWBAJB-HOCLYGCPSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001061280317 710417398 /nfs/dbraw/zinc/41/73/98/710417398.db2.gz RBSYCHNVWCSIMW-DJIMGWMZSA-N 2 1 345.491 1.861 20 0 EDADMP Cc1cc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C)[nH+]1 ZINC001061280317 710417400 /nfs/dbraw/zinc/41/74/00/710417400.db2.gz RBSYCHNVWCSIMW-DJIMGWMZSA-N 2 1 345.491 1.861 20 0 EDADMP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)[C@@H]1CCCc2[nH]cnc21 ZINC001003604866 710445538 /nfs/dbraw/zinc/44/55/38/710445538.db2.gz AGOWDRMVSZBOTR-GDBMZVCRSA-N 2 1 346.475 1.837 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001003627602 710457968 /nfs/dbraw/zinc/45/79/68/710457968.db2.gz HEVAWEYNKSGISS-LSDHHAIUSA-N 2 1 331.464 1.603 20 0 EDADMP C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003627602 710457971 /nfs/dbraw/zinc/45/79/71/710457971.db2.gz HEVAWEYNKSGISS-LSDHHAIUSA-N 2 1 331.464 1.603 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](CCOC3CCC3)CC2)C1 ZINC001003629794 710459424 /nfs/dbraw/zinc/45/94/24/710459424.db2.gz DGDADKBVDJIMBN-UHFFFAOYSA-N 2 1 337.508 1.868 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](CC[C@H]3CCOC3)CC2)C1 ZINC001003632394 710460994 /nfs/dbraw/zinc/46/09/94/710460994.db2.gz ZMJVUGXESPCPCC-INIZCTEOSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1csc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001003636881 710461709 /nfs/dbraw/zinc/46/17/09/710461709.db2.gz YEZDFIRDBNFCMO-IUODEOHRSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1csc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001003636881 710461710 /nfs/dbraw/zinc/46/17/10/710461710.db2.gz YEZDFIRDBNFCMO-IUODEOHRSA-N 2 1 336.505 1.730 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)c(C)o1 ZINC001003635319 710462460 /nfs/dbraw/zinc/46/24/60/710462460.db2.gz OJLBFGOBMNRSSE-WBMJQRKESA-N 2 1 334.464 1.570 20 0 EDADMP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)c(C)o1 ZINC001003635319 710462462 /nfs/dbraw/zinc/46/24/62/710462462.db2.gz OJLBFGOBMNRSSE-WBMJQRKESA-N 2 1 334.464 1.570 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](CC)C(N)=O)CC1 ZINC001034659663 710588859 /nfs/dbraw/zinc/58/88/59/710588859.db2.gz WWBDWUHAWGRBCP-VGWMRTNUSA-N 2 1 338.496 1.142 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccn3)CC2)O1 ZINC001034675136 710627211 /nfs/dbraw/zinc/62/72/11/710627211.db2.gz OBIYVYVOXNOGKZ-YFHUEUNASA-N 2 1 346.475 1.318 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccn3)CC2)O1 ZINC001034675136 710627215 /nfs/dbraw/zinc/62/72/15/710627215.db2.gz OBIYVYVOXNOGKZ-YFHUEUNASA-N 2 1 346.475 1.318 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001034693221 710783530 /nfs/dbraw/zinc/78/35/30/710783530.db2.gz CLDDFSDDVSUGQW-VIYSVWJJSA-N 2 1 347.503 1.667 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CC3)CC2)C1 ZINC001034712183 710870520 /nfs/dbraw/zinc/87/05/20/710870520.db2.gz BOWCELWCMDSRQH-BZSNNMDCSA-N 2 1 337.508 1.913 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CC3)CC2)C1 ZINC001034712183 710870523 /nfs/dbraw/zinc/87/05/23/710870523.db2.gz BOWCELWCMDSRQH-BZSNNMDCSA-N 2 1 337.508 1.913 20 0 EDADMP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001034734459 710916348 /nfs/dbraw/zinc/91/63/48/710916348.db2.gz OWVWQNFPNVSEOV-JQFCIGGWSA-N 2 1 334.464 1.842 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccn2C)CC1 ZINC001034734983 710918422 /nfs/dbraw/zinc/91/84/22/710918422.db2.gz CZJDSVNPQBUVQV-BZUAXINKSA-N 2 1 333.480 1.421 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001034736221 710922773 /nfs/dbraw/zinc/92/27/73/710922773.db2.gz SWNDFWOWYXNMGZ-JYJNAYRXSA-N 2 1 348.495 1.299 20 0 EDADMP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034736692 710924103 /nfs/dbraw/zinc/92/41/03/710924103.db2.gz AGKRBOFRICYPOH-HJWJTTGWSA-N 2 1 348.491 1.952 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)cc1F ZINC001032945190 710924444 /nfs/dbraw/zinc/92/44/44/710924444.db2.gz OIONYEJRERRDTQ-WBVHZDCISA-N 2 1 349.450 1.961 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)cc1F ZINC001032945190 710924448 /nfs/dbraw/zinc/92/44/48/710924448.db2.gz OIONYEJRERRDTQ-WBVHZDCISA-N 2 1 349.450 1.961 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1F ZINC001032945190 710924450 /nfs/dbraw/zinc/92/44/50/710924450.db2.gz OIONYEJRERRDTQ-WBVHZDCISA-N 2 1 349.450 1.961 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1F ZINC001032945190 710924454 /nfs/dbraw/zinc/92/44/54/710924454.db2.gz OIONYEJRERRDTQ-WBVHZDCISA-N 2 1 349.450 1.961 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034738873 710932072 /nfs/dbraw/zinc/93/20/72/710932072.db2.gz WXUGHYVBMCWRLF-NGFQHRJXSA-N 2 1 335.452 1.093 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC001034736958 710947934 /nfs/dbraw/zinc/94/79/34/710947934.db2.gz FJDFMWYKTYQACK-NMFUWQPSSA-N 2 1 335.452 1.093 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC001034736958 710947938 /nfs/dbraw/zinc/94/79/38/710947938.db2.gz FJDFMWYKTYQACK-NMFUWQPSSA-N 2 1 335.452 1.093 20 0 EDADMP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC001034737563 710950307 /nfs/dbraw/zinc/95/03/07/710950307.db2.gz MPEUNPMMVVXIIM-OCVGTWLNSA-N 2 1 349.479 1.940 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034737569 710950348 /nfs/dbraw/zinc/95/03/48/710950348.db2.gz MUBPCPZGWWTQMI-LUKYLMHMSA-N 2 1 347.507 1.618 20 0 EDADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](C)O)CC1 ZINC001034749237 710956364 /nfs/dbraw/zinc/95/63/64/710956364.db2.gz IVZSUBHINOEWGG-VQHPVUNQSA-N 2 1 325.497 1.647 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001032979325 711101133 /nfs/dbraw/zinc/10/11/33/711101133.db2.gz GXXUXGFVEXQLRB-RTBURBONSA-N 2 1 345.487 1.483 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC001032979325 711101136 /nfs/dbraw/zinc/10/11/36/711101136.db2.gz GXXUXGFVEXQLRB-RTBURBONSA-N 2 1 345.487 1.483 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCCc2ccccc2)C1 ZINC001032979325 711101139 /nfs/dbraw/zinc/10/11/39/711101139.db2.gz GXXUXGFVEXQLRB-RTBURBONSA-N 2 1 345.487 1.483 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCCc2ccccc2)C1 ZINC001032979325 711101142 /nfs/dbraw/zinc/10/11/42/711101142.db2.gz GXXUXGFVEXQLRB-RTBURBONSA-N 2 1 345.487 1.483 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1 ZINC001034794653 711111581 /nfs/dbraw/zinc/11/15/81/711111581.db2.gz MXEVWLPAMFQARW-ULQDDVLXSA-N 2 1 334.464 1.635 20 0 EDADMP CC(C)c1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)n1 ZINC001034795001 711112116 /nfs/dbraw/zinc/11/21/16/711112116.db2.gz RFBDAXRUWXNCGY-SHTZXODSSA-N 2 1 349.479 1.806 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c(C)o1 ZINC001034792734 711120969 /nfs/dbraw/zinc/12/09/69/711120969.db2.gz MXVITIPIAUKJPS-JYJNAYRXSA-N 2 1 334.464 1.760 20 0 EDADMP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nc1 ZINC001034793296 711123288 /nfs/dbraw/zinc/12/32/88/711123288.db2.gz VPLKPARIDPFRLE-BZUAXINKSA-N 2 1 331.464 1.254 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)sn1 ZINC001003985236 711189207 /nfs/dbraw/zinc/18/92/07/711189207.db2.gz MGICEYGWNCGMNT-UHFFFAOYSA-N 2 1 334.489 1.628 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]C[C@H]3CCOC3)cc2)C1 ZINC001034831954 711238407 /nfs/dbraw/zinc/23/84/07/711238407.db2.gz GRWFWBXIPXFEPR-MSOLQXFVSA-N 2 1 331.460 1.381 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)n1C1CC1 ZINC001034881911 711282611 /nfs/dbraw/zinc/28/26/11/711282611.db2.gz PFVZIURXLDTBHE-HZPDHXFCSA-N 2 1 346.479 1.096 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)n1C1CC1 ZINC001034881911 711282613 /nfs/dbraw/zinc/28/26/13/711282613.db2.gz PFVZIURXLDTBHE-HZPDHXFCSA-N 2 1 346.479 1.096 20 0 EDADMP Cc1nsc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001034883355 711285801 /nfs/dbraw/zinc/28/58/01/711285801.db2.gz RLYMPIMDSKHCMP-GDBMZVCRSA-N 2 1 336.505 1.935 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[nH]1 ZINC001034958793 711432961 /nfs/dbraw/zinc/43/29/61/711432961.db2.gz MBBHTKZJIKTOLJ-JKSUJKDBSA-N 2 1 348.495 1.172 20 0 EDADMP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](CC(C)C)C2)[nH]1 ZINC001034958793 711432963 /nfs/dbraw/zinc/43/29/63/711432963.db2.gz MBBHTKZJIKTOLJ-JKSUJKDBSA-N 2 1 348.495 1.172 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]Cc1cncs1 ZINC001034959253 711433886 /nfs/dbraw/zinc/43/38/86/711433886.db2.gz UNHNBCQBIZRGQL-UKRRQHHQSA-N 2 1 345.472 1.998 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(F)c2)O1 ZINC001034971233 711451174 /nfs/dbraw/zinc/45/11/74/711451174.db2.gz GYXZOWGLPWYSKR-ZTFGCOKTSA-N 2 1 349.450 1.625 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(F)c2)O1 ZINC001034971233 711451175 /nfs/dbraw/zinc/45/11/75/711451175.db2.gz GYXZOWGLPWYSKR-ZTFGCOKTSA-N 2 1 349.450 1.625 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)c(C)o1 ZINC001034972195 711452105 /nfs/dbraw/zinc/45/21/05/711452105.db2.gz CTJQYSJWSWDWAC-WBVHZDCISA-N 2 1 334.464 1.856 20 0 EDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)c(C)o1 ZINC001034972195 711452108 /nfs/dbraw/zinc/45/21/08/711452108.db2.gz CTJQYSJWSWDWAC-WBVHZDCISA-N 2 1 334.464 1.856 20 0 EDADMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C(C)(C)C)nn3)C2)[C@@H]1C(C)C ZINC000922393094 711458929 /nfs/dbraw/zinc/45/89/29/711458929.db2.gz JYBCCPLZKSRWBH-VXIBKDFQSA-N 2 1 349.523 1.993 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C(C)(C)C)nn3)C2)[C@@H]1C(C)C ZINC000922393094 711458930 /nfs/dbraw/zinc/45/89/30/711458930.db2.gz JYBCCPLZKSRWBH-VXIBKDFQSA-N 2 1 349.523 1.993 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000922510221 711639911 /nfs/dbraw/zinc/63/99/11/711639911.db2.gz LHDVJISKADXAGC-RDJZCZTQSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922510221 711639915 /nfs/dbraw/zinc/63/99/15/711639915.db2.gz LHDVJISKADXAGC-RDJZCZTQSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000922510221 711639916 /nfs/dbraw/zinc/63/99/16/711639916.db2.gz LHDVJISKADXAGC-RDJZCZTQSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004524060 711924071 /nfs/dbraw/zinc/92/40/71/711924071.db2.gz QVXNFGLJJUKINI-QAPCUYQASA-N 2 1 337.508 1.412 20 0 EDADMP CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645031 712153636 /nfs/dbraw/zinc/15/36/36/712153636.db2.gz NGWGJTWZLYJOCU-BDXSIMOUSA-N 2 1 337.508 1.676 20 0 EDADMP CO[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946645031 712153638 /nfs/dbraw/zinc/15/36/38/712153638.db2.gz NGWGJTWZLYJOCU-BDXSIMOUSA-N 2 1 337.508 1.676 20 0 EDADMP CO[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC[C@@H]2C1 ZINC000946645031 712153639 /nfs/dbraw/zinc/15/36/39/712153639.db2.gz NGWGJTWZLYJOCU-BDXSIMOUSA-N 2 1 337.508 1.676 20 0 EDADMP CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033163804 712273635 /nfs/dbraw/zinc/27/36/35/712273635.db2.gz SWQCDBKAGCROGC-BRWVUGGUSA-N 2 1 346.475 1.863 20 0 EDADMP CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033163804 712273638 /nfs/dbraw/zinc/27/36/38/712273638.db2.gz SWQCDBKAGCROGC-BRWVUGGUSA-N 2 1 346.475 1.863 20 0 EDADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000455231166 282114460 /nfs/dbraw/zinc/11/44/60/282114460.db2.gz QOKAQQISKAXEMH-KRWDZBQOSA-N 2 1 348.491 1.759 20 0 EDADMP Cn1cc(N2CCC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C2=O)cn1 ZINC000173778336 231031299 /nfs/dbraw/zinc/03/12/99/231031299.db2.gz UCSZHEDDSCLEKA-JKSUJKDBSA-N 2 1 335.496 1.872 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000340116389 282275665 /nfs/dbraw/zinc/27/56/65/282275665.db2.gz MJHPPWMPMVWVJC-ZACQAIPSSA-N 2 1 325.497 1.615 20 0 EDADMP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000101652922 219151944 /nfs/dbraw/zinc/15/19/44/219151944.db2.gz BYFRSXZYJRFCFZ-INIZCTEOSA-N 2 1 332.492 1.390 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000101652922 219151945 /nfs/dbraw/zinc/15/19/45/219151945.db2.gz BYFRSXZYJRFCFZ-INIZCTEOSA-N 2 1 332.492 1.390 20 0 EDADMP CC[NH+](CC)CC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000068118671 215279588 /nfs/dbraw/zinc/27/95/88/215279588.db2.gz VXRNYXDQUZSOQF-MRXNPFEDSA-N 2 1 333.476 1.865 20 0 EDADMP CC[NH+](CC)CC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000068118671 215279593 /nfs/dbraw/zinc/27/95/93/215279593.db2.gz VXRNYXDQUZSOQF-MRXNPFEDSA-N 2 1 333.476 1.865 20 0 EDADMP C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000151068146 539736554 /nfs/dbraw/zinc/73/65/54/539736554.db2.gz FUHWSACIONSAOT-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000151068146 539736558 /nfs/dbraw/zinc/73/65/58/539736558.db2.gz FUHWSACIONSAOT-SJORKVTESA-N 2 1 340.512 1.661 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000103481065 219304033 /nfs/dbraw/zinc/30/40/33/219304033.db2.gz DEALGDJALARKMG-GOSISDBHSA-N 2 1 330.476 1.773 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000151493310 539754518 /nfs/dbraw/zinc/75/45/18/539754518.db2.gz LYMQQQHIFUPGCJ-HOTGVXAUSA-N 2 1 328.501 1.514 20 0 EDADMP CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000151493310 539754522 /nfs/dbraw/zinc/75/45/22/539754522.db2.gz LYMQQQHIFUPGCJ-HOTGVXAUSA-N 2 1 328.501 1.514 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(C)(C)C[NH+](C)C ZINC000364086242 299164041 /nfs/dbraw/zinc/16/40/41/299164041.db2.gz JHKHGHCFUNLWQD-KKUMJFAQSA-N 2 1 326.485 1.125 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000152571558 539821068 /nfs/dbraw/zinc/82/10/68/539821068.db2.gz LPZFAQNJYSHRIH-GDBMZVCRSA-N 2 1 326.485 1.221 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000152571558 539821071 /nfs/dbraw/zinc/82/10/71/539821071.db2.gz LPZFAQNJYSHRIH-GDBMZVCRSA-N 2 1 326.485 1.221 20 0 EDADMP O=C(CCc1c[nH]cn1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000276546304 540061555 /nfs/dbraw/zinc/06/15/55/540061555.db2.gz GYCXJDAMUYYQOX-QGZVFWFLSA-N 2 1 328.416 1.225 20 0 EDADMP O=C(CCc1cnc[nH]1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000276546304 540061558 /nfs/dbraw/zinc/06/15/58/540061558.db2.gz GYCXJDAMUYYQOX-QGZVFWFLSA-N 2 1 328.416 1.225 20 0 EDADMP O=C(CCc1cnc[nH]1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000276546304 540061561 /nfs/dbraw/zinc/06/15/61/540061561.db2.gz GYCXJDAMUYYQOX-QGZVFWFLSA-N 2 1 328.416 1.225 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccnn1-c1ccccc1 ZINC000281198567 540075891 /nfs/dbraw/zinc/07/58/91/540075891.db2.gz KAKFCALODQITRF-INIZCTEOSA-N 2 1 341.459 1.687 20 0 EDADMP C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958043 138136618 /nfs/dbraw/zinc/13/66/18/138136618.db2.gz LCJJZBXDENIQSM-WMZOPIPTSA-N 2 1 337.508 1.726 20 0 EDADMP CCCCCCNC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957616 138136642 /nfs/dbraw/zinc/13/66/42/138136642.db2.gz NVBHDEXJODWZGF-UHFFFAOYSA-N 2 1 325.497 1.727 20 0 EDADMP C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000563561396 306339106 /nfs/dbraw/zinc/33/91/06/306339106.db2.gz JBMYGCBMAPPJGT-RVKKMQEKSA-N 2 1 330.476 1.730 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000563586528 306340189 /nfs/dbraw/zinc/34/01/89/306340189.db2.gz QCIZBDLBJRZLIR-CVEARBPZSA-N 2 1 326.485 1.175 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000116521516 138311888 /nfs/dbraw/zinc/31/18/88/138311888.db2.gz XEGOLYOHBOKQQZ-QAPCUYQASA-N 2 1 345.491 1.685 20 0 EDADMP NC(=O)C[C@@H]1CCCC[NH+]1C/C=C/C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000339137991 283291815 /nfs/dbraw/zinc/29/18/15/283291815.db2.gz YBKKOWSJJBNHTL-DKLOGILVSA-N 2 1 336.480 1.002 20 0 EDADMP CCC[NH+]1CCN(C2CCN(C(=O)C[N@@H+](CC)C3CC3)CC2)CC1 ZINC000363529077 283347059 /nfs/dbraw/zinc/34/70/59/283347059.db2.gz FTEGHEZOKYBEBF-UHFFFAOYSA-N 2 1 336.524 1.489 20 0 EDADMP CCCN1CC[NH+](C2CCN(C(=O)C[N@H+](CC)C3CC3)CC2)CC1 ZINC000363529077 283347064 /nfs/dbraw/zinc/34/70/64/283347064.db2.gz FTEGHEZOKYBEBF-UHFFFAOYSA-N 2 1 336.524 1.489 20 0 EDADMP CCCN1CC[NH+](C2CCN(C(=O)C[N@@H+](CC)C3CC3)CC2)CC1 ZINC000363529077 283347068 /nfs/dbraw/zinc/34/70/68/283347068.db2.gz FTEGHEZOKYBEBF-UHFFFAOYSA-N 2 1 336.524 1.489 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](CC)C2)CC[N@H+]1CCOC ZINC000413833396 304079454 /nfs/dbraw/zinc/07/94/54/304079454.db2.gz IRRKTMNTAKFFBS-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC)C2)CC[NH+]1CCOC ZINC000413833396 304079455 /nfs/dbraw/zinc/07/94/55/304079455.db2.gz IRRKTMNTAKFFBS-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC000413833396 304079456 /nfs/dbraw/zinc/07/94/56/304079456.db2.gz IRRKTMNTAKFFBS-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000413842707 304080207 /nfs/dbraw/zinc/08/02/07/304080207.db2.gz PTYXEMPBIBMOBC-XNHLSEOASA-N 2 1 349.523 1.033 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000413842707 304080208 /nfs/dbraw/zinc/08/02/08/304080208.db2.gz PTYXEMPBIBMOBC-XNHLSEOASA-N 2 1 349.523 1.033 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000413842707 304080209 /nfs/dbraw/zinc/08/02/09/304080209.db2.gz PTYXEMPBIBMOBC-XNHLSEOASA-N 2 1 349.523 1.033 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413987655 304093145 /nfs/dbraw/zinc/09/31/45/304093145.db2.gz YBLCYMLAPWLXAB-FUHWJXTLSA-N 2 1 345.487 1.327 20 0 EDADMP O=C(NCCCn1ccnc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000130607888 223165046 /nfs/dbraw/zinc/16/50/46/223165046.db2.gz DMEVJDHLSNFJRS-KRWDZBQOSA-N 2 1 328.416 1.290 20 0 EDADMP O=C(NCCCn1ccnc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000130607888 223165048 /nfs/dbraw/zinc/16/50/48/223165048.db2.gz DMEVJDHLSNFJRS-KRWDZBQOSA-N 2 1 328.416 1.290 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000565823376 306392192 /nfs/dbraw/zinc/39/21/92/306392192.db2.gz KUOMLFSHNIMXCR-BPQIPLTHSA-N 2 1 330.476 1.773 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000178200585 283775350 /nfs/dbraw/zinc/77/53/50/283775350.db2.gz DPAOTFKXFIQJSS-UHFFFAOYSA-N 2 1 337.508 1.966 20 0 EDADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000566066474 306397516 /nfs/dbraw/zinc/39/75/16/306397516.db2.gz UQIASTOKEDTJGF-MJGOQNOKSA-N 2 1 344.503 1.261 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC000414557199 304122006 /nfs/dbraw/zinc/12/20/06/304122006.db2.gz LJXJBKICLNUJKS-UYAOXDASSA-N 2 1 347.503 1.394 20 0 EDADMP CCc1ccc([C@H]2CNCC[N@@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414731679 304134288 /nfs/dbraw/zinc/13/42/88/304134288.db2.gz HRSWKDRQRZUQGD-IEBWSBKVSA-N 2 1 344.503 1.393 20 0 EDADMP CCc1ccc([C@H]2CNCC[N@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414731679 304134289 /nfs/dbraw/zinc/13/42/89/304134289.db2.gz HRSWKDRQRZUQGD-IEBWSBKVSA-N 2 1 344.503 1.393 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000414733814 304134354 /nfs/dbraw/zinc/13/43/54/304134354.db2.gz DTYSWJGYCDGDNL-ZDUSSCGKSA-N 2 1 330.432 1.199 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)C1 ZINC000414762997 304138204 /nfs/dbraw/zinc/13/82/04/304138204.db2.gz WVYDXVNAJWBJER-PXNSSMCTSA-N 2 1 345.487 1.210 20 0 EDADMP COc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000415020737 304151376 /nfs/dbraw/zinc/15/13/76/304151376.db2.gz UCFRVNWCQLJJHI-UONOGXRCSA-N 2 1 335.448 1.522 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000415028659 304152053 /nfs/dbraw/zinc/15/20/53/304152053.db2.gz CXCBBAHLPOIOOV-BJJXKVORSA-N 2 1 330.432 1.197 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000415100225 304160032 /nfs/dbraw/zinc/16/00/32/304160032.db2.gz ALZIDRQGJOAEGE-GOSISDBHSA-N 3 1 332.492 1.378 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1F ZINC000415133016 304162755 /nfs/dbraw/zinc/16/27/55/304162755.db2.gz BPTSRNPXFKWYAW-ROUUACIJSA-N 2 1 346.450 1.854 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1F ZINC000415133016 304162759 /nfs/dbraw/zinc/16/27/59/304162759.db2.gz BPTSRNPXFKWYAW-ROUUACIJSA-N 2 1 346.450 1.854 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000195154549 139008206 /nfs/dbraw/zinc/00/82/06/139008206.db2.gz LCLBNWLIQIGLEC-SFHVURJKSA-N 2 1 344.503 1.440 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000415138076 304163471 /nfs/dbraw/zinc/16/34/71/304163471.db2.gz GKYUEXVDVVFYPO-WMLDXEAASA-N 2 1 344.459 1.430 20 0 EDADMP CCC[C@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000236947788 139036020 /nfs/dbraw/zinc/03/60/20/139036020.db2.gz JUHWYEPSNWENDW-KRWDZBQOSA-N 2 1 346.475 1.459 20 0 EDADMP C[NH2+]CC1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000237049072 139039158 /nfs/dbraw/zinc/03/91/58/139039158.db2.gz VVRCGWPBNXIFDM-IBGZPJMESA-N 2 1 345.487 1.736 20 0 EDADMP C[NH2+]CC1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000237049072 139039159 /nfs/dbraw/zinc/03/91/59/139039159.db2.gz VVRCGWPBNXIFDM-IBGZPJMESA-N 2 1 345.487 1.736 20 0 EDADMP Cn1cncc1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000237206405 139044316 /nfs/dbraw/zinc/04/43/16/139044316.db2.gz MGLBNYCLBPROGY-LJQANCHMSA-N 2 1 327.476 1.889 20 0 EDADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000237401737 139050154 /nfs/dbraw/zinc/05/01/54/139050154.db2.gz MQXDRIIMYUVTHH-FMKPAKJESA-N 2 1 341.521 1.387 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000496172475 284349728 /nfs/dbraw/zinc/34/97/28/284349728.db2.gz RTFYFFCEGFWGNQ-BZUAXINKSA-N 2 1 343.512 1.972 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000237628807 139056223 /nfs/dbraw/zinc/05/62/23/139056223.db2.gz YTDWIFBSLRNPSR-DAYGRLMNSA-N 2 1 331.460 1.778 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000237628807 139056224 /nfs/dbraw/zinc/05/62/24/139056224.db2.gz YTDWIFBSLRNPSR-DAYGRLMNSA-N 2 1 331.460 1.778 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2)C[C@H](C)O1 ZINC000237628425 139056255 /nfs/dbraw/zinc/05/62/55/139056255.db2.gz RYUCVPIQUNQVBK-IYOUNJFTSA-N 2 1 331.460 1.763 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2)C[C@H](C)O1 ZINC000237628425 139056256 /nfs/dbraw/zinc/05/62/56/139056256.db2.gz RYUCVPIQUNQVBK-IYOUNJFTSA-N 2 1 331.460 1.763 20 0 EDADMP [NH3+]C[C@H]1CCCCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237947999 139064683 /nfs/dbraw/zinc/06/46/83/139064683.db2.gz MXVVVDJIWPNEHI-MSOLQXFVSA-N 2 1 331.460 1.617 20 0 EDADMP [NH3+]C[C@H]1CCCCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237947999 139064684 /nfs/dbraw/zinc/06/46/84/139064684.db2.gz MXVVVDJIWPNEHI-MSOLQXFVSA-N 2 1 331.460 1.617 20 0 EDADMP C[C@@H](CNC(=O)NCC1CC[NH+](CCO)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000111817753 220198080 /nfs/dbraw/zinc/19/80/80/220198080.db2.gz KGZTUVATMUUAJX-HOTGVXAUSA-N 2 1 340.512 1.110 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000245455758 139075639 /nfs/dbraw/zinc/07/56/39/139075639.db2.gz IJBIFNWQKMMWEO-MOPGFXCFSA-N 2 1 345.487 1.969 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000245455758 139075640 /nfs/dbraw/zinc/07/56/40/139075640.db2.gz IJBIFNWQKMMWEO-MOPGFXCFSA-N 2 1 345.487 1.969 20 0 EDADMP C[C@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245685259 139083033 /nfs/dbraw/zinc/08/30/33/139083033.db2.gz KSVBTYXXLGNEPH-OWCLPIDISA-N 2 1 348.491 1.900 20 0 EDADMP C[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000245949707 139090968 /nfs/dbraw/zinc/09/09/68/139090968.db2.gz OZBBZWBIDUWTOD-QGTPRVQTSA-N 2 1 331.460 1.651 20 0 EDADMP CC[N@@H+](CC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000247016591 139131661 /nfs/dbraw/zinc/13/16/61/139131661.db2.gz XSQZYFHVNFIKGP-HOTGVXAUSA-N 2 1 337.508 1.819 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247375800 139146499 /nfs/dbraw/zinc/14/64/99/139146499.db2.gz SQFPZYBOOAVIEQ-CGTJXYLNSA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccccc1COC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247375800 139146500 /nfs/dbraw/zinc/14/65/00/139146500.db2.gz SQFPZYBOOAVIEQ-CGTJXYLNSA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247375800 139146501 /nfs/dbraw/zinc/14/65/01/139146501.db2.gz SQFPZYBOOAVIEQ-CGTJXYLNSA-N 2 1 336.476 1.987 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247375800 139146502 /nfs/dbraw/zinc/14/65/02/139146502.db2.gz SQFPZYBOOAVIEQ-CGTJXYLNSA-N 2 1 336.476 1.987 20 0 EDADMP COC(=O)[C@H](C)C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248402733 139162324 /nfs/dbraw/zinc/16/23/24/139162324.db2.gz WFJUEJXMAICOIJ-GDBMZVCRSA-N 2 1 335.448 1.146 20 0 EDADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000092692529 218158664 /nfs/dbraw/zinc/15/86/64/218158664.db2.gz NVYBPXCCSIKCSE-SFHVURJKSA-N 2 1 346.475 1.477 20 0 EDADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000092692529 218158667 /nfs/dbraw/zinc/15/86/67/218158667.db2.gz NVYBPXCCSIKCSE-SFHVURJKSA-N 2 1 346.475 1.477 20 0 EDADMP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000249092668 139185409 /nfs/dbraw/zinc/18/54/09/139185409.db2.gz KYOAGZQQKSGJNU-DLBZAZTESA-N 2 1 329.448 1.721 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000249092668 139185410 /nfs/dbraw/zinc/18/54/10/139185410.db2.gz KYOAGZQQKSGJNU-DLBZAZTESA-N 2 1 329.448 1.721 20 0 EDADMP CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261637987 139213278 /nfs/dbraw/zinc/21/32/78/139213278.db2.gz HZPBPRLHYBFKBU-GOSISDBHSA-N 2 1 330.476 1.728 20 0 EDADMP CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261637987 139213279 /nfs/dbraw/zinc/21/32/79/139213279.db2.gz HZPBPRLHYBFKBU-GOSISDBHSA-N 2 1 330.476 1.728 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000261777619 139225229 /nfs/dbraw/zinc/22/52/29/139225229.db2.gz XNLOQQSHJXZPBZ-CYBMUJFWSA-N 2 1 345.472 1.492 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000261777619 139225230 /nfs/dbraw/zinc/22/52/30/139225230.db2.gz XNLOQQSHJXZPBZ-CYBMUJFWSA-N 2 1 345.472 1.492 20 0 EDADMP C[N@H+](CCOc1ccc2ccccc2c1)CC(=O)N1CC[NH2+]CC1 ZINC000261804084 139227495 /nfs/dbraw/zinc/22/74/95/139227495.db2.gz FXWICIMJTXTZPG-UHFFFAOYSA-N 2 1 327.428 1.582 20 0 EDADMP C[N@@H+](CCOc1ccc2ccccc2c1)CC(=O)N1CC[NH2+]CC1 ZINC000261804084 139227496 /nfs/dbraw/zinc/22/74/96/139227496.db2.gz FXWICIMJTXTZPG-UHFFFAOYSA-N 2 1 327.428 1.582 20 0 EDADMP c1ncn(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)cc2)n1 ZINC000261852118 139231554 /nfs/dbraw/zinc/23/15/54/139231554.db2.gz BGUIUCLCOWWSTE-KURKYZTESA-N 2 1 327.432 1.514 20 0 EDADMP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262044847 139246246 /nfs/dbraw/zinc/24/62/46/139246246.db2.gz YYUSSUMHCPFQFT-XUVXKRRUSA-N 3 1 347.503 1.874 20 0 EDADMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000262074434 139248718 /nfs/dbraw/zinc/24/87/18/139248718.db2.gz DBIKUPYKVPGSRZ-AAEUAGOBSA-N 2 1 327.222 1.054 20 0 EDADMP O=C1C[NH2+]CCN1[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000262130875 139253505 /nfs/dbraw/zinc/25/35/05/139253505.db2.gz NUFIWOZZTCQTJC-CYBMUJFWSA-N 2 1 325.815 1.875 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415949505 251038895 /nfs/dbraw/zinc/03/88/95/251038895.db2.gz CABPTPGTBJDRIX-UHFFFAOYSA-N 2 1 338.427 1.561 20 0 EDADMP O=C(CC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1)N1CC[NH2+]CC1 ZINC000262274100 139265672 /nfs/dbraw/zinc/26/56/72/139265672.db2.gz YQMVUMCANZZBDL-UHFFFAOYSA-N 2 1 348.466 1.155 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262306182 139268651 /nfs/dbraw/zinc/26/86/51/139268651.db2.gz AWAAKYQQDYOHLP-ZTFGCOKTSA-N 2 1 331.460 1.258 20 0 EDADMP CC1(CNC(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000417010916 251129880 /nfs/dbraw/zinc/12/98/80/251129880.db2.gz QRBYRTURCSSSAC-UHFFFAOYSA-N 2 1 330.476 1.734 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417011143 251130958 /nfs/dbraw/zinc/13/09/58/251130958.db2.gz REEGKSKUQVGKBW-HDICACEKSA-N 2 1 342.487 1.686 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417088491 251140649 /nfs/dbraw/zinc/14/06/49/251140649.db2.gz HHBZKBJZUSUNNO-SJORKVTESA-N 2 1 340.512 1.518 20 0 EDADMP CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262330430 139270664 /nfs/dbraw/zinc/27/06/64/139270664.db2.gz GQCLLJFRNOMIPC-QZTJIDSGSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)[C@H](C[NH3+])C1 ZINC000417256491 251149789 /nfs/dbraw/zinc/14/97/89/251149789.db2.gz GDZFAAQMJOVLGC-ZFWWWQNUSA-N 2 1 336.505 1.875 20 0 EDADMP C[C@H]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)[C@H](C[NH3+])C1 ZINC000417256491 251149793 /nfs/dbraw/zinc/14/97/93/251149793.db2.gz GDZFAAQMJOVLGC-ZFWWWQNUSA-N 2 1 336.505 1.875 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417559720 251186629 /nfs/dbraw/zinc/18/66/29/251186629.db2.gz AFOMSDQVEIENBZ-SFHVURJKSA-N 2 1 348.491 1.310 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262392580 139275820 /nfs/dbraw/zinc/27/58/20/139275820.db2.gz OKFGDGCANCOBKB-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000417574614 251194462 /nfs/dbraw/zinc/19/44/62/251194462.db2.gz ZNTPNVYBIDQQHH-WMZOPIPTSA-N 2 1 346.475 1.283 20 0 EDADMP C[C@@H](CC[NH3+])NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417585480 251198575 /nfs/dbraw/zinc/19/85/75/251198575.db2.gz QBJAKLCTZTYLHG-HNNXBMFYSA-N 2 1 340.512 1.837 20 0 EDADMP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000417651511 251214328 /nfs/dbraw/zinc/21/43/28/251214328.db2.gz NKCIUPVTBJTIGD-WMZOPIPTSA-N 2 1 330.476 1.950 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC1([NH3+])CCC1 ZINC000417740093 251251015 /nfs/dbraw/zinc/25/10/15/251251015.db2.gz YXHUDTGDJRWMSH-INIZCTEOSA-N 2 1 345.491 1.378 20 0 EDADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)N1CC[NH2+]CC1 ZINC000418079440 251320882 /nfs/dbraw/zinc/32/08/82/251320882.db2.gz QLXNWVMOFQCDKC-INIZCTEOSA-N 2 1 334.489 1.219 20 0 EDADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)N1CC[NH2+]CC1 ZINC000418079440 251320884 /nfs/dbraw/zinc/32/08/84/251320884.db2.gz QLXNWVMOFQCDKC-INIZCTEOSA-N 2 1 334.489 1.219 20 0 EDADMP [NH3+]C[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000418078525 251321232 /nfs/dbraw/zinc/32/12/32/251321232.db2.gz WJEBDBMTCXXUNV-MSOLQXFVSA-N 2 1 346.475 1.314 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]12 ZINC000418106144 251322893 /nfs/dbraw/zinc/32/28/93/251322893.db2.gz MQTCUSBPNLVASB-AKHDSKFASA-N 2 1 342.487 1.887 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000418435237 251371033 /nfs/dbraw/zinc/37/10/33/251371033.db2.gz AMAIBAAEFKMWMY-HOCLYGCPSA-N 2 1 334.464 1.869 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262636701 139291984 /nfs/dbraw/zinc/29/19/84/139291984.db2.gz ONJWMVZOCSLKMO-SQNIBIBYSA-N 2 1 329.444 1.240 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262636701 139291985 /nfs/dbraw/zinc/29/19/85/139291985.db2.gz ONJWMVZOCSLKMO-SQNIBIBYSA-N 2 1 329.444 1.240 20 0 EDADMP CC(C)(C)[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262659182 139293861 /nfs/dbraw/zinc/29/38/61/139293861.db2.gz WOVRRSUNJJTZLU-MRXNPFEDSA-N 2 1 336.455 1.437 20 0 EDADMP [NH3+]C1(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000262697734 139297182 /nfs/dbraw/zinc/29/71/82/139297182.db2.gz FIPVKGJRTVPJFP-UHFFFAOYSA-N 2 1 330.476 1.192 20 0 EDADMP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262716408 139298503 /nfs/dbraw/zinc/29/85/03/139298503.db2.gz VTTWPTHPDWQAPD-ZBFHGGJFSA-N 2 1 332.448 1.450 20 0 EDADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCCCc2ccccc2)CC12CCOCC2 ZINC000420328461 251674322 /nfs/dbraw/zinc/67/43/22/251674322.db2.gz MNYNUHJKEOZXAI-GOSISDBHSA-N 2 1 345.487 1.423 20 0 EDADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCCCc2ccccc2)CC12CCOCC2 ZINC000420328461 251674325 /nfs/dbraw/zinc/67/43/25/251674325.db2.gz MNYNUHJKEOZXAI-GOSISDBHSA-N 2 1 345.487 1.423 20 0 EDADMP CC[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCC[NH2+]1 ZINC000422898212 252015385 /nfs/dbraw/zinc/01/53/85/252015385.db2.gz DQIHFFXTBUFHTA-ZVZYQTTQSA-N 2 1 347.459 1.431 20 0 EDADMP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCCCC1)CCC2 ZINC000423177647 252042919 /nfs/dbraw/zinc/04/29/19/252042919.db2.gz JHTLVUUBVNACGE-INIZCTEOSA-N 2 1 337.489 1.963 20 0 EDADMP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000423352423 252051305 /nfs/dbraw/zinc/05/13/05/252051305.db2.gz KOEAWUDKNCDWBH-MAUKXSAKSA-N 2 1 331.460 1.888 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000423773604 252069282 /nfs/dbraw/zinc/06/92/82/252069282.db2.gz JVUFSVXDGGLGIV-JQHSSLGASA-N 2 1 331.460 1.616 20 0 EDADMP O=C([C@@H]1COCC[NH2+]1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423838479 252087528 /nfs/dbraw/zinc/08/75/28/252087528.db2.gz CHNLOTIDMWMCGL-SFHVURJKSA-N 2 1 343.471 1.490 20 0 EDADMP O=C([C@@H]1COCC[NH2+]1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423838479 252087530 /nfs/dbraw/zinc/08/75/30/252087530.db2.gz CHNLOTIDMWMCGL-SFHVURJKSA-N 2 1 343.471 1.490 20 0 EDADMP C[C@@H]1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C[NH3+] ZINC000424011843 252114576 /nfs/dbraw/zinc/11/45/76/252114576.db2.gz ZHLHXPJDECTLEU-NEWSRXKRSA-N 2 1 345.487 1.721 20 0 EDADMP C[C@@H]1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C[NH3+] ZINC000424011843 252114579 /nfs/dbraw/zinc/11/45/79/252114579.db2.gz ZHLHXPJDECTLEU-NEWSRXKRSA-N 2 1 345.487 1.721 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424151714 252145109 /nfs/dbraw/zinc/14/51/09/252145109.db2.gz HSYILLMLIWULEQ-IAGOWNOFSA-N 2 1 325.497 1.901 20 0 EDADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000424374095 252202641 /nfs/dbraw/zinc/20/26/41/252202641.db2.gz ITVZGDKPLOPQEU-ZYHUDNBSSA-N 2 1 333.404 1.229 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000424464082 252239008 /nfs/dbraw/zinc/23/90/08/252239008.db2.gz IMVJPNJMEMGNNA-CZUORRHYSA-N 2 1 330.432 1.087 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424471527 252242601 /nfs/dbraw/zinc/24/26/01/252242601.db2.gz DBPYHGWZKZABPD-RYQLBKOJSA-N 2 1 330.476 1.758 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000424448559 252236493 /nfs/dbraw/zinc/23/64/93/252236493.db2.gz PIQRQQVTUNWMSF-INIZCTEOSA-N 2 1 332.448 1.333 20 0 EDADMP [NH3+]CCn1cc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)nn1 ZINC000569743828 306518620 /nfs/dbraw/zinc/51/86/20/306518620.db2.gz DHMSXVHWVSWUHF-UHFFFAOYSA-N 2 1 346.460 1.038 20 0 EDADMP O=S(=O)(NCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420339352 285040223 /nfs/dbraw/zinc/04/02/23/285040223.db2.gz YNAPZDCPLPOUSI-HOTGVXAUSA-N 2 1 337.489 1.286 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000098030288 285043766 /nfs/dbraw/zinc/04/37/66/285043766.db2.gz RABUQSJTPYMKNI-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000098030288 285043770 /nfs/dbraw/zinc/04/37/70/285043770.db2.gz RABUQSJTPYMKNI-HZPDHXFCSA-N 2 1 326.485 1.080 20 0 EDADMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000263270720 139332247 /nfs/dbraw/zinc/33/22/47/139332247.db2.gz SEEIWXNLNMNRSA-RISCZKNCSA-N 2 1 340.349 1.765 20 0 EDADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(C)n(C)n2)CC1 ZINC000488003837 255040241 /nfs/dbraw/zinc/04/02/41/255040241.db2.gz UXBDBXSAIFMCQF-UHFFFAOYSA-N 2 1 349.523 1.789 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c2C1 ZINC000263854761 139364959 /nfs/dbraw/zinc/36/49/59/139364959.db2.gz BMBGPVAANDSXCN-ZDUSSCGKSA-N 2 1 332.448 1.417 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c2C1 ZINC000263854761 139364960 /nfs/dbraw/zinc/36/49/60/139364960.db2.gz BMBGPVAANDSXCN-ZDUSSCGKSA-N 2 1 332.448 1.417 20 0 EDADMP CCn1nccc1/C=C/C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000492225086 255163416 /nfs/dbraw/zinc/16/34/16/255163416.db2.gz HHNFUUHZOLLLKJ-SNAWJCMRSA-N 2 1 340.431 1.702 20 0 EDADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496197116 255363141 /nfs/dbraw/zinc/36/31/41/255363141.db2.gz CLIHXIPEINDMLX-SJORKVTESA-N 2 1 346.475 1.533 20 0 EDADMP C[C@@H]1SCCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)[C@H]1C ZINC000495857431 255332555 /nfs/dbraw/zinc/33/25/55/255332555.db2.gz HXPAYQSKUOPUHD-XEZPLFJOSA-N 2 1 325.478 1.686 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H](C)OC ZINC000341088771 285277349 /nfs/dbraw/zinc/27/73/49/285277349.db2.gz QXUGVXMJCRHANK-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccoc1C(=O)OC ZINC000349065478 285282472 /nfs/dbraw/zinc/28/24/72/285282472.db2.gz ZXJXDOXEOGRGPD-INIZCTEOSA-N 2 1 337.464 1.914 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+](C)C1CC1 ZINC000118130892 221128702 /nfs/dbraw/zinc/12/87/02/221128702.db2.gz BUWAFYWZQKUKMR-CYBMUJFWSA-N 2 1 332.448 1.286 20 0 EDADMP C[NH+](C)[C@@H]1CCCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000264255988 139390641 /nfs/dbraw/zinc/39/06/41/139390641.db2.gz LBQZKIZZZFXYNK-GOSISDBHSA-N 2 1 330.476 1.780 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)NCCn1cc[nH+]c1C ZINC000264321836 139397068 /nfs/dbraw/zinc/39/70/68/139397068.db2.gz UMVQVKGJRZKAAU-UHFFFAOYSA-N 2 1 325.457 1.191 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@](C)(O)C1 ZINC000177971954 533245751 /nfs/dbraw/zinc/24/57/51/533245751.db2.gz ZSGSRSRQWJKIAG-OXJNMPFZSA-N 2 1 345.487 1.612 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000415930261 304285888 /nfs/dbraw/zinc/28/58/88/304285888.db2.gz ZZPTZRFOAGTVNO-CQSZACIVSA-N 2 1 334.464 1.715 20 0 EDADMP C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000154896876 533497908 /nfs/dbraw/zinc/49/79/08/533497908.db2.gz MXIWUBGMUMOJLD-ZWKOTPCHSA-N 2 1 348.535 1.914 20 0 EDADMP O=C(CC[N@H+]1CCc2ccccc2C1)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000416240115 304299332 /nfs/dbraw/zinc/29/93/32/304299332.db2.gz AYYIYOPINRJVSJ-KDURUIRLSA-N 2 1 343.471 1.414 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)Cc2ccccc2)C1 ZINC000271993426 140384371 /nfs/dbraw/zinc/38/43/71/140384371.db2.gz SCAVQVPIMODSIX-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000271993426 140384373 /nfs/dbraw/zinc/38/43/73/140384373.db2.gz SCAVQVPIMODSIX-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000271993426 140384374 /nfs/dbraw/zinc/38/43/74/140384374.db2.gz SCAVQVPIMODSIX-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000332837365 141240251 /nfs/dbraw/zinc/24/02/51/141240251.db2.gz YCKYIFMDDFZTGU-BZUAXINKSA-N 2 1 331.464 1.714 20 0 EDADMP Cn1ccnc1[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000332999148 141248705 /nfs/dbraw/zinc/24/87/05/141248705.db2.gz ANXZEXIHOAURGL-GDBMZVCRSA-N 2 1 331.464 1.936 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[C@H](C)[N@@H+]1CCO ZINC000333269406 141290499 /nfs/dbraw/zinc/29/04/99/141290499.db2.gz FXFWREFMODJZLU-OKILXGFUSA-N 2 1 348.447 1.087 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@H]3CCC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000333592936 141341807 /nfs/dbraw/zinc/34/18/07/141341807.db2.gz OPPSNVXSYGXXKK-HNNXBMFYSA-N 2 1 332.452 1.113 20 0 EDADMP C[NH+]1CCC([C@H]2CCN(C(=O)NCC[NH+]3CCSCC3)C2)CC1 ZINC000339549598 142074553 /nfs/dbraw/zinc/07/45/53/142074553.db2.gz SWFFEGMYJOCXNA-INIZCTEOSA-N 2 1 340.537 1.409 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000339708278 142127734 /nfs/dbraw/zinc/12/77/34/142127734.db2.gz RYSPCZGPIWZHOF-FUHWJXTLSA-N 2 1 348.470 1.860 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000339708278 142127735 /nfs/dbraw/zinc/12/77/35/142127735.db2.gz RYSPCZGPIWZHOF-FUHWJXTLSA-N 2 1 348.470 1.860 20 0 EDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000340209551 142303852 /nfs/dbraw/zinc/30/38/52/142303852.db2.gz LYJKWYZIBCPTIC-WBMJQRKESA-N 2 1 325.478 1.641 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000340265019 142324204 /nfs/dbraw/zinc/32/42/04/142324204.db2.gz VKDREXKHUBCHOK-IRXDYDNUSA-N 2 1 337.508 1.556 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000340265019 142324205 /nfs/dbraw/zinc/32/42/05/142324205.db2.gz VKDREXKHUBCHOK-IRXDYDNUSA-N 2 1 337.508 1.556 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)CC1 ZINC000343358568 142835595 /nfs/dbraw/zinc/83/55/95/142835595.db2.gz DHCHANUSTHSOBM-RBUKOAKNSA-N 2 1 348.535 1.347 20 0 EDADMP CO[C@H]1C[C@@H](C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)N(C)C1 ZINC000345148596 143057544 /nfs/dbraw/zinc/05/75/44/143057544.db2.gz MPCVOJROBCBANU-ROUUACIJSA-N 2 1 326.529 1.053 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)CCCN2CC[NH+](C(C)C)CC2)[N@H+](C)C1 ZINC000345148596 143057545 /nfs/dbraw/zinc/05/75/45/143057545.db2.gz MPCVOJROBCBANU-ROUUACIJSA-N 2 1 326.529 1.053 20 0 EDADMP CO[C@H]1C[C@@H](CN(C)CCCN2CC[NH+](C(C)C)CC2)[N@@H+](C)C1 ZINC000345148596 143057546 /nfs/dbraw/zinc/05/75/46/143057546.db2.gz MPCVOJROBCBANU-ROUUACIJSA-N 2 1 326.529 1.053 20 0 EDADMP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCC[N@H+]1C ZINC000345328942 143078680 /nfs/dbraw/zinc/07/86/80/143078680.db2.gz UZNXNUPLXYHXDY-IEBWSBKVSA-N 2 1 344.503 1.798 20 0 EDADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000572498267 306591788 /nfs/dbraw/zinc/59/17/88/306591788.db2.gz NIYHLKCWYSOAJD-AEFFLSMTSA-N 2 1 345.491 1.858 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]([NH3+])CC(F)F)cc1F ZINC000345705286 143123617 /nfs/dbraw/zinc/12/36/17/143123617.db2.gz FZGIYVZSRPDTEA-GFCCVEGCSA-N 2 1 326.322 1.919 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCc2ccc(C[NH+](C)C)cc2)[N@@H+](C)C1 ZINC000346007922 143156843 /nfs/dbraw/zinc/15/68/43/143156843.db2.gz IHDBEOWTAUGLIA-QZTJIDSGSA-N 2 1 348.491 1.609 20 0 EDADMP C[NH+](C)CCc1ccc(CNC(=O)c2cc(C[NH+](C)C)on2)cc1 ZINC000346126657 143170388 /nfs/dbraw/zinc/17/03/88/143170388.db2.gz SZHFCZRCHRRYEH-UHFFFAOYSA-N 2 1 330.432 1.770 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H]1C(N)=O ZINC000346593514 143219910 /nfs/dbraw/zinc/21/99/10/143219910.db2.gz VSOLDSFWVLXHRD-NJAFHUGGSA-N 2 1 331.460 1.331 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000346704898 143234882 /nfs/dbraw/zinc/23/48/82/143234882.db2.gz ZKMYCUYWJVXOJD-GUDVDZBRSA-N 2 1 345.487 1.829 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)[N@H+](C)C1 ZINC000346704898 143234883 /nfs/dbraw/zinc/23/48/83/143234883.db2.gz ZKMYCUYWJVXOJD-GUDVDZBRSA-N 2 1 345.487 1.829 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)[N@@H+](C)C1 ZINC000346704898 143234884 /nfs/dbraw/zinc/23/48/84/143234884.db2.gz ZKMYCUYWJVXOJD-GUDVDZBRSA-N 2 1 345.487 1.829 20 0 EDADMP CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000347051873 143276762 /nfs/dbraw/zinc/27/67/62/143276762.db2.gz RRICMHJAFQEPLB-HNNXBMFYSA-N 2 1 332.448 1.124 20 0 EDADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347217680 143296185 /nfs/dbraw/zinc/29/61/85/143296185.db2.gz RUMVHVFSSXVUFQ-QGZVFWFLSA-N 2 1 344.459 1.289 20 0 EDADMP O=C(NCC1CC[NH+](C2CC2)CC1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369721621 155149041 /nfs/dbraw/zinc/14/90/41/155149041.db2.gz FZQKLDPBLDOUBA-YTQUADARSA-N 2 1 346.519 1.987 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369779411 155172797 /nfs/dbraw/zinc/17/27/97/155172797.db2.gz VYNMUCROKPFCFM-IRXDYDNUSA-N 2 1 340.512 1.613 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000416841305 304350695 /nfs/dbraw/zinc/35/06/95/304350695.db2.gz LZLSOZLFESJKKJ-HLLBOEOZSA-N 2 1 346.475 1.834 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](C)C1 ZINC000370646245 286062038 /nfs/dbraw/zinc/06/20/38/286062038.db2.gz QZXWEOPZNJHVSF-SZMVWBNQSA-N 2 1 337.508 1.581 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000352664698 149107192 /nfs/dbraw/zinc/10/71/92/149107192.db2.gz NKWFHROIIJDLMZ-KBPBESRZSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000352664698 149107197 /nfs/dbraw/zinc/10/71/97/149107197.db2.gz NKWFHROIIJDLMZ-KBPBESRZSA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC000352888715 149204211 /nfs/dbraw/zinc/20/42/11/149204211.db2.gz PPWUIWSWNJZWFS-SFHVURJKSA-N 2 1 342.487 1.635 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC000352888715 149204212 /nfs/dbraw/zinc/20/42/12/149204212.db2.gz PPWUIWSWNJZWFS-SFHVURJKSA-N 2 1 342.487 1.635 20 0 EDADMP CN(CC(=O)NC1CC[NH+](C2CC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352923132 149216851 /nfs/dbraw/zinc/21/68/51/149216851.db2.gz GQLDFLAAYCBGDF-JWTNVVGKSA-N 2 1 334.508 1.286 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](COC(F)F)C2)CC1 ZINC000353019224 149255226 /nfs/dbraw/zinc/25/52/26/149255226.db2.gz FSDFTTMQFFMYEQ-CYBMUJFWSA-N 2 1 333.423 1.537 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](COC(F)F)C2)CC1 ZINC000353019224 149255228 /nfs/dbraw/zinc/25/52/28/149255228.db2.gz FSDFTTMQFFMYEQ-CYBMUJFWSA-N 2 1 333.423 1.537 20 0 EDADMP CCOCC[C@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000444683724 286130440 /nfs/dbraw/zinc/13/04/40/286130440.db2.gz ZGQZEZXUFDSPSJ-WFFDWFOESA-N 2 1 325.497 1.017 20 0 EDADMP Cc1ccncc1C[NH2+]C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354935192 150041582 /nfs/dbraw/zinc/04/15/82/150041582.db2.gz OYAAILDOJCUSHW-HZPDHXFCSA-N 2 1 344.438 1.953 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000355085965 150109261 /nfs/dbraw/zinc/10/92/61/150109261.db2.gz WWQOARREIZHWOM-BBWFWOEESA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCCOCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000355333688 150220958 /nfs/dbraw/zinc/22/09/58/150220958.db2.gz CKBHLRMKVYUNOA-AEFFLSMTSA-N 2 1 348.491 1.527 20 0 EDADMP O=[S@@](CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000355394793 150251952 /nfs/dbraw/zinc/25/19/52/150251952.db2.gz UJKFVUMLMCBNJM-QHCPKHFHSA-N 2 1 336.501 1.838 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)N[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000417031462 304362997 /nfs/dbraw/zinc/36/29/97/304362997.db2.gz XLMLIYXBWVEIFL-MSOLQXFVSA-N 2 1 345.491 1.026 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)N[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000417031462 304362998 /nfs/dbraw/zinc/36/29/98/304362998.db2.gz XLMLIYXBWVEIFL-MSOLQXFVSA-N 2 1 345.491 1.026 20 0 EDADMP COCC1(CNC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)CC[NH2+]CC1 ZINC000333671055 292238633 /nfs/dbraw/zinc/23/86/33/292238633.db2.gz NBXQCIAKDYRECW-OAHLLOKOSA-N 2 1 338.496 1.128 20 0 EDADMP CCCCN(CC)C(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000357642937 151097547 /nfs/dbraw/zinc/09/75/47/151097547.db2.gz DARNFDFJFOWFAD-MRXNPFEDSA-N 2 1 327.513 1.660 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000357922786 151198010 /nfs/dbraw/zinc/19/80/10/151198010.db2.gz RIVBUODWTUKLFV-JKSUJKDBSA-N 2 1 327.517 1.040 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000357922786 151198013 /nfs/dbraw/zinc/19/80/13/151198013.db2.gz RIVBUODWTUKLFV-JKSUJKDBSA-N 2 1 327.517 1.040 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000357922786 151198014 /nfs/dbraw/zinc/19/80/14/151198014.db2.gz RIVBUODWTUKLFV-JKSUJKDBSA-N 2 1 327.517 1.040 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CCO)C2)CC1 ZINC000357944591 151205538 /nfs/dbraw/zinc/20/55/38/151205538.db2.gz HYYOTHHFSGCNDU-QZTJIDSGSA-N 2 1 345.487 1.596 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CCO)C2)CC1 ZINC000357944591 151205540 /nfs/dbraw/zinc/20/55/40/151205540.db2.gz HYYOTHHFSGCNDU-QZTJIDSGSA-N 2 1 345.487 1.596 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000358050267 151247522 /nfs/dbraw/zinc/24/75/22/151247522.db2.gz PYCGRBJDVMPCET-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000358050267 151247524 /nfs/dbraw/zinc/24/75/24/151247524.db2.gz PYCGRBJDVMPCET-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000358050267 151247525 /nfs/dbraw/zinc/24/75/25/151247525.db2.gz PYCGRBJDVMPCET-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC2)c1 ZINC000358138484 151285451 /nfs/dbraw/zinc/28/54/51/151285451.db2.gz MXTHHRNASJBZAN-HNNXBMFYSA-N 2 1 349.479 1.651 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000358142922 151286873 /nfs/dbraw/zinc/28/68/73/151286873.db2.gz RWKRXFCJIPOYER-OAHLLOKOSA-N 2 1 349.479 1.651 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000358174768 151295766 /nfs/dbraw/zinc/29/57/66/151295766.db2.gz ZGMSHBAHUZHJNC-CQSZACIVSA-N 2 1 336.329 1.923 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000358174768 151295770 /nfs/dbraw/zinc/29/57/70/151295770.db2.gz ZGMSHBAHUZHJNC-CQSZACIVSA-N 2 1 336.329 1.923 20 0 EDADMP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1Br ZINC000358173320 151296025 /nfs/dbraw/zinc/29/60/25/151296025.db2.gz WHPZBMQMVJMLEE-AWEZNQCLSA-N 2 1 329.238 1.614 20 0 EDADMP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1Br ZINC000358173320 151296026 /nfs/dbraw/zinc/29/60/26/151296026.db2.gz WHPZBMQMVJMLEE-AWEZNQCLSA-N 2 1 329.238 1.614 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000417110834 304373334 /nfs/dbraw/zinc/37/33/34/304373334.db2.gz LEOKUMBIBPKTMN-MCIONIFRSA-N 2 1 336.505 1.887 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@H+]1CCc2sccc2C1 ZINC000417110834 304373336 /nfs/dbraw/zinc/37/33/36/304373336.db2.gz LEOKUMBIBPKTMN-MCIONIFRSA-N 2 1 336.505 1.887 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCSC1 ZINC000360396002 152020079 /nfs/dbraw/zinc/02/00/79/152020079.db2.gz KTCVBHULQJRQIL-FMKPAKJESA-N 2 1 326.510 1.350 20 0 EDADMP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCSC1 ZINC000360396004 152020587 /nfs/dbraw/zinc/02/05/87/152020587.db2.gz KTCVBHULQJRQIL-YCPHGPKFSA-N 2 1 326.510 1.350 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000363784301 153055456 /nfs/dbraw/zinc/05/54/56/153055456.db2.gz MVTOHYFNVKNPFG-GDBMZVCRSA-N 2 1 335.496 1.385 20 0 EDADMP C[N@@H+](Cc1cc(=O)n2ccsc2n1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364675802 153300994 /nfs/dbraw/zinc/30/09/94/153300994.db2.gz UUEAGJNNOFVGAW-LBPRGKRZSA-N 2 1 329.429 1.647 20 0 EDADMP C[N@H+](Cc1cc(=O)n2ccsc2n1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364675802 153300996 /nfs/dbraw/zinc/30/09/96/153300996.db2.gz UUEAGJNNOFVGAW-LBPRGKRZSA-N 2 1 329.429 1.647 20 0 EDADMP Cc1ccc(N2CCC[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)C2)[nH+]c1 ZINC000365534944 153546690 /nfs/dbraw/zinc/54/66/90/153546690.db2.gz HOXDNCOBXDFCLR-CRAIPNDOSA-N 2 1 334.464 1.035 20 0 EDADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367171772 154029208 /nfs/dbraw/zinc/02/92/08/154029208.db2.gz RJRCCXZTINISLQ-DLBZAZTESA-N 2 1 338.540 1.639 20 0 EDADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367171772 154029215 /nfs/dbraw/zinc/02/92/15/154029215.db2.gz RJRCCXZTINISLQ-DLBZAZTESA-N 2 1 338.540 1.639 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)CC1 ZINC000367583715 154187628 /nfs/dbraw/zinc/18/76/28/154187628.db2.gz FMPICBWWENSZCF-ZWKOTPCHSA-N 2 1 325.497 1.282 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCOC[C@H]2[C@H]2CCCO2)CC1 ZINC000367583715 154187633 /nfs/dbraw/zinc/18/76/33/154187633.db2.gz FMPICBWWENSZCF-ZWKOTPCHSA-N 2 1 325.497 1.282 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000367624524 154203605 /nfs/dbraw/zinc/20/36/05/154203605.db2.gz VXUOWNPLMWRGQT-QFBILLFUSA-N 2 1 335.467 1.819 20 0 EDADMP CN(CCC[N@@H+](C)Cc1cn(C)nc1-c1ccncc1)CC[NH+](C)C ZINC000367673949 154224274 /nfs/dbraw/zinc/22/42/74/154224274.db2.gz YNUKGFYPROQDCE-UHFFFAOYSA-N 2 1 344.507 1.797 20 0 EDADMP CCc1nc(CN2CCC[C@H]([NH2+][C@H]3CC[N@H+](CC)C[C@@H]3C)C2)no1 ZINC000367703460 154235185 /nfs/dbraw/zinc/23/51/85/154235185.db2.gz YNAGIBYYHSXCLX-JYJNAYRXSA-N 2 1 335.496 1.916 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2F)CC1 ZINC000369384164 155007004 /nfs/dbraw/zinc/00/70/04/155007004.db2.gz BEKQYQAGYJQKIV-UHFFFAOYSA-N 2 1 348.466 1.745 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2F)CC1 ZINC000369384164 155007011 /nfs/dbraw/zinc/00/70/11/155007011.db2.gz BEKQYQAGYJQKIV-UHFFFAOYSA-N 2 1 348.466 1.745 20 0 EDADMP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000369639979 155118506 /nfs/dbraw/zinc/11/85/06/155118506.db2.gz OFPNVFSZSLZTLR-INIZCTEOSA-N 2 1 345.491 1.961 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000371585003 156018976 /nfs/dbraw/zinc/01/89/76/156018976.db2.gz FRLJAQDCEAQCIP-CVEARBPZSA-N 2 1 346.479 1.456 20 0 EDADMP Cc1cc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000371585003 156018980 /nfs/dbraw/zinc/01/89/80/156018980.db2.gz FRLJAQDCEAQCIP-CVEARBPZSA-N 2 1 346.479 1.456 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000371621612 156032739 /nfs/dbraw/zinc/03/27/39/156032739.db2.gz JAXYMCZMJYBQQQ-SJORKVTESA-N 2 1 343.475 1.190 20 0 EDADMP CC[C@]1(C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000372190652 156264389 /nfs/dbraw/zinc/26/43/89/156264389.db2.gz CFNLGSNJUKBIQD-FQEVSTJZSA-N 2 1 344.503 1.657 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)c1 ZINC000372313205 156326852 /nfs/dbraw/zinc/32/68/52/156326852.db2.gz JGINZURTLWRURV-LJQANCHMSA-N 2 1 342.487 1.029 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)c1 ZINC000372313205 156326861 /nfs/dbraw/zinc/32/68/61/156326861.db2.gz JGINZURTLWRURV-LJQANCHMSA-N 2 1 342.487 1.029 20 0 EDADMP O=C(C[C@@H]1CCC[NH2+]CC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000372412153 156376532 /nfs/dbraw/zinc/37/65/32/156376532.db2.gz MTMZAAHQRVZJJX-QGZVFWFLSA-N 2 1 345.487 1.915 20 0 EDADMP CC(C)S(=O)(=O)CCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000372749629 156518648 /nfs/dbraw/zinc/51/86/48/156518648.db2.gz VAOAGPVGPPAEHS-UHFFFAOYSA-N 2 1 346.537 1.634 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000368195577 292348965 /nfs/dbraw/zinc/34/89/65/292348965.db2.gz WOLMKIGOXNZVNI-GOSISDBHSA-N 2 1 338.496 1.225 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000575092170 306664811 /nfs/dbraw/zinc/66/48/11/306664811.db2.gz KYKBJVHPYUASJP-CQSZACIVSA-N 2 1 340.431 1.231 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000373840910 157028454 /nfs/dbraw/zinc/02/84/54/157028454.db2.gz HOZBIDCBKJXDDD-MUQADHOPSA-N 2 1 330.476 1.796 20 0 EDADMP CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000374287042 157225865 /nfs/dbraw/zinc/22/58/65/157225865.db2.gz IYCCTTRPQDVDJU-ZACQAIPSSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374512067 157311873 /nfs/dbraw/zinc/31/18/73/157311873.db2.gz FKDOHFQRNLDILW-XDNAFOTISA-N 2 1 337.508 1.412 20 0 EDADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374512067 157311874 /nfs/dbraw/zinc/31/18/74/157311874.db2.gz FKDOHFQRNLDILW-XDNAFOTISA-N 2 1 337.508 1.412 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C2 ZINC000377936144 158033715 /nfs/dbraw/zinc/03/37/15/158033715.db2.gz HKDKSPLARKEQDI-QGZVFWFLSA-N 3 1 349.523 1.486 20 0 EDADMP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377953603 158038267 /nfs/dbraw/zinc/03/82/67/158038267.db2.gz VFBXFPSMTYFZHJ-GOSISDBHSA-N 2 1 342.503 1.295 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377953603 158038271 /nfs/dbraw/zinc/03/82/71/158038271.db2.gz VFBXFPSMTYFZHJ-GOSISDBHSA-N 2 1 342.503 1.295 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377953603 158038273 /nfs/dbraw/zinc/03/82/73/158038273.db2.gz VFBXFPSMTYFZHJ-GOSISDBHSA-N 2 1 342.503 1.295 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H]1C[NH3+] ZINC000378187665 158103282 /nfs/dbraw/zinc/10/32/82/158103282.db2.gz OJCWIQBNGPIEIO-NJAFHUGGSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H]1C[NH3+] ZINC000378187665 158103283 /nfs/dbraw/zinc/10/32/83/158103283.db2.gz OJCWIQBNGPIEIO-NJAFHUGGSA-N 2 1 331.460 1.473 20 0 EDADMP Cc1[nH+]c(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c2n1CCCC2 ZINC000378315343 158138485 /nfs/dbraw/zinc/13/84/85/158138485.db2.gz PBIDLWZYNPBPEU-SFHVURJKSA-N 2 1 348.491 1.937 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000352208401 162050752 /nfs/dbraw/zinc/05/07/52/162050752.db2.gz NGOHWHSKOCREEV-JKSUJKDBSA-N 2 1 326.485 1.080 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000352495805 162211972 /nfs/dbraw/zinc/21/19/72/162211972.db2.gz OWODNMUBGJMGCJ-INIZCTEOSA-N 2 1 348.466 1.678 20 0 EDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000352495805 162211976 /nfs/dbraw/zinc/21/19/76/162211976.db2.gz OWODNMUBGJMGCJ-INIZCTEOSA-N 2 1 348.466 1.678 20 0 EDADMP CC(=O)c1ccc(NC(=O)CC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352510926 162222461 /nfs/dbraw/zinc/22/24/61/162222461.db2.gz PLLJXICIHQRTST-SFHVURJKSA-N 2 1 344.459 1.197 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000074134191 287268371 /nfs/dbraw/zinc/26/83/71/287268371.db2.gz HPHSFADKFYZGBF-IAGOWNOFSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)C[NH+]1CCOCC1 ZINC000150935462 287590275 /nfs/dbraw/zinc/59/02/75/287590275.db2.gz USNGAXRLXHOCET-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194095569 273000359 /nfs/dbraw/zinc/00/03/59/273000359.db2.gz RIGBPDSTYHSZCD-KRWDZBQOSA-N 2 1 334.508 1.988 20 0 EDADMP [NH3+]C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000237871994 267931393 /nfs/dbraw/zinc/93/13/93/267931393.db2.gz HZYOTFOCXJLCSF-WBVHZDCISA-N 2 1 333.501 1.974 20 0 EDADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)N2CC[NH+](C)CC2)o1 ZINC000273250013 268003033 /nfs/dbraw/zinc/00/30/33/268003033.db2.gz AGFZFWPSCIKJJL-MRXNPFEDSA-N 2 1 336.480 1.114 20 0 EDADMP COC(=O)c1cn(C2CC[NH+](CCCn3cc[nH+]c3C)CC2)nn1 ZINC000273609981 268063737 /nfs/dbraw/zinc/06/37/37/268063737.db2.gz NPRHEDOZWOIUTK-UHFFFAOYSA-N 2 1 332.408 1.297 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000274621383 268170344 /nfs/dbraw/zinc/17/03/44/268170344.db2.gz ZNPGKPYYSLERRK-UHFFFAOYSA-N 2 1 344.503 1.751 20 0 EDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000274895791 268233048 /nfs/dbraw/zinc/23/30/48/268233048.db2.gz IPZKNWLQTXMMDG-ZDUSSCGKSA-N 2 1 336.461 1.564 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC([C@H](O)c3ccccc3)CC2)CC1 ZINC000283477009 273867194 /nfs/dbraw/zinc/86/71/94/273867194.db2.gz IUXMETUTXAYTCD-HXUWFJFHSA-N 2 1 345.487 1.596 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000283961104 274027397 /nfs/dbraw/zinc/02/73/97/274027397.db2.gz JZJHKMOLUBVXSD-NVXWUHKLSA-N 2 1 348.491 1.252 20 0 EDADMP COC(=O)c1cn(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000283974212 274033189 /nfs/dbraw/zinc/03/31/89/274033189.db2.gz LHHFQOSPILLDRG-UHFFFAOYSA-N 2 1 343.431 1.319 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000284485969 274219499 /nfs/dbraw/zinc/21/94/99/274219499.db2.gz BPYTZOYWQHJKQF-SJLPKXTDSA-N 2 1 333.476 1.449 20 0 EDADMP COCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000284485969 274219500 /nfs/dbraw/zinc/21/95/00/274219500.db2.gz BPYTZOYWQHJKQF-SJLPKXTDSA-N 2 1 333.476 1.449 20 0 EDADMP COCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000284485969 274219502 /nfs/dbraw/zinc/21/95/02/274219502.db2.gz BPYTZOYWQHJKQF-SJLPKXTDSA-N 2 1 333.476 1.449 20 0 EDADMP CCN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000372908278 276301531 /nfs/dbraw/zinc/30/15/31/276301531.db2.gz SQOZZLMMHVMFGR-KBAYOESNSA-N 2 1 331.460 1.659 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[NH2+]Cc2cccnc2)cc[nH+]1 ZINC000354935390 276814591 /nfs/dbraw/zinc/81/45/91/276814591.db2.gz QBZDSFCNLLUQEQ-LSDHHAIUSA-N 2 1 330.411 1.644 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000357709947 277043125 /nfs/dbraw/zinc/04/31/25/277043125.db2.gz RZFRSZFJRVLQRK-QZTJIDSGSA-N 2 1 337.508 1.822 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000248202178 277083507 /nfs/dbraw/zinc/08/35/07/277083507.db2.gz ZAWURFRUAWIHJV-WMLDXEAASA-N 2 1 327.428 1.699 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000248202178 277083508 /nfs/dbraw/zinc/08/35/08/277083508.db2.gz ZAWURFRUAWIHJV-WMLDXEAASA-N 2 1 327.428 1.699 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000248202178 277083509 /nfs/dbraw/zinc/08/35/09/277083509.db2.gz ZAWURFRUAWIHJV-WMLDXEAASA-N 2 1 327.428 1.699 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000248202178 277083510 /nfs/dbraw/zinc/08/35/10/277083510.db2.gz ZAWURFRUAWIHJV-WMLDXEAASA-N 2 1 327.428 1.699 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000270561034 277166838 /nfs/dbraw/zinc/16/68/38/277166838.db2.gz SXOXFTLNQKFXJY-IRXDYDNUSA-N 2 1 346.475 1.188 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2C1 ZINC000171099965 277208531 /nfs/dbraw/zinc/20/85/31/277208531.db2.gz KCYBPEQNYLTQBQ-QGZVFWFLSA-N 2 1 342.443 1.267 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2C1 ZINC000171099965 277208533 /nfs/dbraw/zinc/20/85/33/277208533.db2.gz KCYBPEQNYLTQBQ-QGZVFWFLSA-N 2 1 342.443 1.267 20 0 EDADMP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246093420 277236076 /nfs/dbraw/zinc/23/60/76/277236076.db2.gz VMIMALCDWFBQTO-HUUCEWRRSA-N 2 1 338.496 1.807 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000155015796 278279724 /nfs/dbraw/zinc/27/97/24/278279724.db2.gz HMALNZFTQXDEMM-WMZOPIPTSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2COC[C@H]2n2ccnn2)CC1 ZINC000344505768 278464402 /nfs/dbraw/zinc/46/44/02/278464402.db2.gz XQGBZQMEWLXGQS-NRSFXHEJSA-N 2 1 333.480 1.851 20 0 EDADMP Cc1[nH+]c(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c2n1CCCC2 ZINC000367654550 279084601 /nfs/dbraw/zinc/08/46/01/279084601.db2.gz AFKVGMJBDVVJBF-HNNXBMFYSA-N 2 1 331.464 1.908 20 0 EDADMP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000336891072 279092529 /nfs/dbraw/zinc/09/25/29/279092529.db2.gz PBLCFVZSOCXHMS-QGZVFWFLSA-N 2 1 347.507 1.888 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000352075375 279112226 /nfs/dbraw/zinc/11/22/26/279112226.db2.gz SFQBDJSUQZKKTC-IRXDYDNUSA-N 2 1 339.505 1.693 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363367102 279127710 /nfs/dbraw/zinc/12/77/10/279127710.db2.gz BQTNRKJUPPPFCJ-OWCLPIDISA-N 2 1 326.485 1.125 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000365552476 279271237 /nfs/dbraw/zinc/27/12/37/279271237.db2.gz YTOSLZDRPPSMHF-XWTMOSNGSA-N 2 1 334.508 1.987 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365552476 279271238 /nfs/dbraw/zinc/27/12/38/279271238.db2.gz YTOSLZDRPPSMHF-XWTMOSNGSA-N 2 1 334.508 1.987 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365552476 279271239 /nfs/dbraw/zinc/27/12/39/279271239.db2.gz YTOSLZDRPPSMHF-XWTMOSNGSA-N 2 1 334.508 1.987 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000287273493 288197354 /nfs/dbraw/zinc/19/73/54/288197354.db2.gz JEQJNZPJQQDBTR-MRXNPFEDSA-N 2 1 333.411 1.933 20 0 EDADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721120 280244048 /nfs/dbraw/zinc/24/40/48/280244048.db2.gz HHLMQGBPELBLLY-ZWKOTPCHSA-N 2 1 338.540 1.735 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CCOCC1 ZINC000366754551 282038921 /nfs/dbraw/zinc/03/89/21/282038921.db2.gz GGGNYYSZTJNFII-KRWDZBQOSA-N 2 1 346.475 1.583 20 0 EDADMP C[NH+](C)C1(CNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CCOCC1 ZINC000366754551 282038922 /nfs/dbraw/zinc/03/89/22/282038922.db2.gz GGGNYYSZTJNFII-KRWDZBQOSA-N 2 1 346.475 1.583 20 0 EDADMP COc1ccccc1N1CC[C@@H](N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000292175491 289281888 /nfs/dbraw/zinc/28/18/88/289281888.db2.gz PYYRTBKWURQDNC-VQIMIIECSA-N 2 1 329.444 1.828 20 0 EDADMP NC(=O)c1csc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000292433896 289346164 /nfs/dbraw/zinc/34/61/64/289346164.db2.gz GYDMHHPWTSIKIE-UHFFFAOYSA-N 2 1 346.460 1.261 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@H]1C ZINC000358267870 290094661 /nfs/dbraw/zinc/09/46/61/290094661.db2.gz SGUJNLIDENQYRG-CVEARBPZSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1C[C@@H](C[N@H+]2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000496459132 297251914 /nfs/dbraw/zinc/25/19/14/297251914.db2.gz PCGAAAZOJCIREY-OWCLPIDISA-N 2 1 341.496 1.990 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418638003 300245675 /nfs/dbraw/zinc/24/56/75/300245675.db2.gz KKVBEMVNZUANIQ-GJZGRUSLSA-N 2 1 340.512 1.251 20 0 EDADMP Cn1nccc1[C@H]1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC(=O)N1C1CC1 ZINC000328992779 303097897 /nfs/dbraw/zinc/09/78/97/303097897.db2.gz DORQGMMEZWDCLC-PSFFPDNBSA-N 2 1 343.475 1.441 20 0 EDADMP Cn1nccc1[C@H]1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC(=O)N1C1CC1 ZINC000328992779 303097900 /nfs/dbraw/zinc/09/79/00/303097900.db2.gz DORQGMMEZWDCLC-PSFFPDNBSA-N 2 1 343.475 1.441 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@@H](C)C1 ZINC000448524951 447328046 /nfs/dbraw/zinc/32/80/46/447328046.db2.gz MLBDJSVNUBOARX-ZFWWWQNUSA-N 2 1 336.484 1.358 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@@H](C)C1 ZINC000448524951 447328049 /nfs/dbraw/zinc/32/80/49/447328049.db2.gz MLBDJSVNUBOARX-ZFWWWQNUSA-N 2 1 336.484 1.358 20 0 EDADMP C[N@@H+]1CCC[C@]2(CCN(C(=O)NCC[NH+]3CCSCC3)C2)C1 ZINC000458385013 447339009 /nfs/dbraw/zinc/33/90/09/447339009.db2.gz MOIVTQXCTXCLCI-INIZCTEOSA-N 2 1 326.510 1.163 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)NCC[NH+]3CCSCC3)C2)C1 ZINC000458385013 447339013 /nfs/dbraw/zinc/33/90/13/447339013.db2.gz MOIVTQXCTXCLCI-INIZCTEOSA-N 2 1 326.510 1.163 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000414880576 447340358 /nfs/dbraw/zinc/34/03/58/447340358.db2.gz QHHOPKQFDLEOLD-MRXNPFEDSA-N 2 1 346.475 1.581 20 0 EDADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414888472 447345260 /nfs/dbraw/zinc/34/52/60/447345260.db2.gz RXEJINNMGLPCSJ-KRWDZBQOSA-N 2 1 344.459 1.069 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414888472 447345268 /nfs/dbraw/zinc/34/52/68/447345268.db2.gz RXEJINNMGLPCSJ-KRWDZBQOSA-N 2 1 344.459 1.069 20 0 EDADMP N[C@@H]1CCCCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422720168 304879079 /nfs/dbraw/zinc/87/90/79/304879079.db2.gz SCOFBQMUBDZBPF-QZTJIDSGSA-N 2 1 346.523 1.628 20 0 EDADMP [NH3+]CCCOC1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000430569185 305056134 /nfs/dbraw/zinc/05/61/34/305056134.db2.gz DSNOCJRPLJODIU-QGZVFWFLSA-N 2 1 347.459 1.456 20 0 EDADMP C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC[NH2+]CC1 ZINC000430616276 305059133 /nfs/dbraw/zinc/05/91/33/305059133.db2.gz AKMLKDWJPXTBCZ-UHFFFAOYSA-N 2 1 348.466 1.548 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000430753719 305064084 /nfs/dbraw/zinc/06/40/84/305064084.db2.gz JHJSRJCISOVYQP-SFHVURJKSA-N 2 1 347.459 1.266 20 0 EDADMP COCC[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430842587 305065721 /nfs/dbraw/zinc/06/57/21/305065721.db2.gz USUXCHLLTZCIGO-IEBWSBKVSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000430943179 305069883 /nfs/dbraw/zinc/06/98/83/305069883.db2.gz GVGQOMGRHXXSNX-CYBMUJFWSA-N 2 1 344.459 1.577 20 0 EDADMP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430965388 305071416 /nfs/dbraw/zinc/07/14/16/305071416.db2.gz JAZPEQGSMQCIOU-KGLIPLIRSA-N 2 1 339.867 1.846 20 0 EDADMP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430965388 305071417 /nfs/dbraw/zinc/07/14/17/305071417.db2.gz JAZPEQGSMQCIOU-KGLIPLIRSA-N 2 1 339.867 1.846 20 0 EDADMP CCC[N@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000431073215 305074159 /nfs/dbraw/zinc/07/41/59/305074159.db2.gz WMGVADZYBFSRKD-UHFFFAOYSA-N 2 1 348.447 1.807 20 0 EDADMP CCC[N@@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000431073215 305074160 /nfs/dbraw/zinc/07/41/60/305074160.db2.gz WMGVADZYBFSRKD-UHFFFAOYSA-N 2 1 348.447 1.807 20 0 EDADMP Cn1cc[nH+]c1N1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431865297 305084143 /nfs/dbraw/zinc/08/41/43/305084143.db2.gz OVXXSAVMUCNOMW-QGZVFWFLSA-N 2 1 341.459 1.762 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)NCC2([NH+](C)C)CCCC2)CCCO1 ZINC000433290073 305105104 /nfs/dbraw/zinc/10/51/04/305105104.db2.gz RNKYMSPUBDQYFI-INIZCTEOSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000433452342 305109253 /nfs/dbraw/zinc/10/92/53/305109253.db2.gz VMDFIBKPUUENMG-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000433452342 305109254 /nfs/dbraw/zinc/10/92/54/305109254.db2.gz VMDFIBKPUUENMG-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000433452342 305109255 /nfs/dbraw/zinc/10/92/55/305109255.db2.gz VMDFIBKPUUENMG-DOTOQJQBSA-N 2 1 338.496 1.365 20 0 EDADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1F ZINC000435389830 305139707 /nfs/dbraw/zinc/13/97/07/305139707.db2.gz OLKDDQZHCOHAJH-CQSZACIVSA-N 2 1 337.439 1.377 20 0 EDADMP c1cc(-c2noc(C[C@@H]3CCC[NH2+]3)n2)ccc1C[NH+]1CCOCC1 ZINC000435728262 305146662 /nfs/dbraw/zinc/14/66/62/305146662.db2.gz JUAOTTYRFOXSAF-INIZCTEOSA-N 2 1 328.416 1.863 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000440977290 305215441 /nfs/dbraw/zinc/21/54/41/305215441.db2.gz DHOSUPKBAUBRDC-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440977290 305215442 /nfs/dbraw/zinc/21/54/42/305215442.db2.gz DHOSUPKBAUBRDC-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440977290 305215443 /nfs/dbraw/zinc/21/54/43/305215443.db2.gz DHOSUPKBAUBRDC-UHFFFAOYSA-N 2 1 327.517 1.044 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C[N@H+]1C1CC1 ZINC000441304215 305220443 /nfs/dbraw/zinc/22/04/43/305220443.db2.gz PFZMLXDGSZFZKB-OIISXLGYSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C[NH+]1C1CC1 ZINC000441304215 305220444 /nfs/dbraw/zinc/22/04/44/305220444.db2.gz PFZMLXDGSZFZKB-OIISXLGYSA-N 2 1 334.508 1.985 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C[NH+]1C1CC1 ZINC000441304215 305220445 /nfs/dbraw/zinc/22/04/45/305220445.db2.gz PFZMLXDGSZFZKB-OIISXLGYSA-N 2 1 334.508 1.985 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](COC)C1CC1 ZINC000442285065 305228233 /nfs/dbraw/zinc/22/82/33/305228233.db2.gz PIAVFSSREMAUPD-IRXDYDNUSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000442759144 305229671 /nfs/dbraw/zinc/22/96/71/305229671.db2.gz KJQXOXFIEMINIA-CABCVRRESA-N 2 1 327.432 1.158 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000442759144 305229672 /nfs/dbraw/zinc/22/96/72/305229672.db2.gz KJQXOXFIEMINIA-CABCVRRESA-N 2 1 327.432 1.158 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442758955 305229674 /nfs/dbraw/zinc/22/96/74/305229674.db2.gz CAIMSJFMPBSUNA-BZUAXINKSA-N 2 1 346.475 1.098 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000444551944 305250379 /nfs/dbraw/zinc/25/03/79/305250379.db2.gz NJZQDGTVCFVSSO-RDJZCZTQSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000444551944 305250380 /nfs/dbraw/zinc/25/03/80/305250380.db2.gz NJZQDGTVCFVSSO-RDJZCZTQSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000444551944 305250381 /nfs/dbraw/zinc/25/03/81/305250381.db2.gz NJZQDGTVCFVSSO-RDJZCZTQSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000444551944 305250382 /nfs/dbraw/zinc/25/03/82/305250382.db2.gz NJZQDGTVCFVSSO-RDJZCZTQSA-N 2 1 337.508 1.697 20 0 EDADMP C[C@H](CNC(=O)NCC[N@H+]1CCCOCC1)[NH+]1CCCC[C@H]1C ZINC000446502153 305265999 /nfs/dbraw/zinc/26/59/99/305265999.db2.gz SVUBSTBFRIGDLJ-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000446502153 305266000 /nfs/dbraw/zinc/26/60/00/305266000.db2.gz SVUBSTBFRIGDLJ-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@H](CNC(=O)NCC[NH+]1CCCOCC1)[N@H+]1CCCC[C@H]1C ZINC000446502153 305266001 /nfs/dbraw/zinc/26/60/01/305266001.db2.gz SVUBSTBFRIGDLJ-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC(C)(C)CO ZINC000451247934 305335255 /nfs/dbraw/zinc/33/52/55/305335255.db2.gz CINCNHRIFCRGQD-FUHWJXTLSA-N 2 1 347.503 1.716 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)CO ZINC000451247934 305335256 /nfs/dbraw/zinc/33/52/56/305335256.db2.gz CINCNHRIFCRGQD-FUHWJXTLSA-N 2 1 347.503 1.716 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)CO ZINC000451247934 305335257 /nfs/dbraw/zinc/33/52/57/305335257.db2.gz CINCNHRIFCRGQD-FUHWJXTLSA-N 2 1 347.503 1.716 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000451469372 305348395 /nfs/dbraw/zinc/34/83/95/305348395.db2.gz MGULHEBTLUPGMM-DLBZAZTESA-N 2 1 337.508 1.772 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@@H]21 ZINC000451625567 305356900 /nfs/dbraw/zinc/35/69/00/305356900.db2.gz QGLLRGXZZVNVGQ-AQNXPRMDSA-N 2 1 329.488 1.913 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@@H]21 ZINC000451625567 305356901 /nfs/dbraw/zinc/35/69/01/305356901.db2.gz QGLLRGXZZVNVGQ-AQNXPRMDSA-N 2 1 329.488 1.913 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@@H]21 ZINC000451625567 305356902 /nfs/dbraw/zinc/35/69/02/305356902.db2.gz QGLLRGXZZVNVGQ-AQNXPRMDSA-N 2 1 329.488 1.913 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)CC[N@H+]1CCOC ZINC000377779841 447352859 /nfs/dbraw/zinc/35/28/59/447352859.db2.gz PVICVLCGPHNHEO-BRWVUGGUSA-N 2 1 325.497 1.580 20 0 EDADMP CCOC(=O)[C@@H]1[C@H]([NH2+]CCC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000496653577 305672248 /nfs/dbraw/zinc/67/22/48/305672248.db2.gz CVIIWKNXQNQNBW-KGLIPLIRSA-N 2 1 343.468 1.469 20 0 EDADMP COC[C@]1(C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2)CCC[NH2+]1 ZINC000414940040 447365759 /nfs/dbraw/zinc/36/57/59/447365759.db2.gz GWADPGRKFKOLBB-KBXCAEBGSA-N 2 1 335.448 1.771 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[N@H+](CC)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000425951780 447366271 /nfs/dbraw/zinc/36/62/71/447366271.db2.gz QVNZHZJQSFVIRS-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[N@@H+](CC)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000425951780 447366276 /nfs/dbraw/zinc/36/62/76/447366276.db2.gz QVNZHZJQSFVIRS-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000536068428 306019412 /nfs/dbraw/zinc/01/94/12/306019412.db2.gz DVVUOPUWVHGYIL-STQMWFEESA-N 2 1 342.399 1.965 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000536068428 306019413 /nfs/dbraw/zinc/01/94/13/306019413.db2.gz DVVUOPUWVHGYIL-STQMWFEESA-N 2 1 342.399 1.965 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000543713100 306067631 /nfs/dbraw/zinc/06/76/31/306067631.db2.gz SPDDIIOCSHUEBC-UHFFFAOYSA-N 2 1 347.507 1.442 20 0 EDADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000545309824 306084030 /nfs/dbraw/zinc/08/40/30/306084030.db2.gz LBZCGNCILAUFQH-QGZVFWFLSA-N 2 1 338.540 1.641 20 0 EDADMP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000545309824 306084031 /nfs/dbraw/zinc/08/40/31/306084031.db2.gz LBZCGNCILAUFQH-QGZVFWFLSA-N 2 1 338.540 1.641 20 0 EDADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000545309824 306084032 /nfs/dbraw/zinc/08/40/32/306084032.db2.gz LBZCGNCILAUFQH-QGZVFWFLSA-N 2 1 338.540 1.641 20 0 EDADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000546590934 306093764 /nfs/dbraw/zinc/09/37/64/306093764.db2.gz BCFSNNJUMINBNM-LJQANCHMSA-N 2 1 346.475 1.148 20 0 EDADMP CC[C@@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ncc[nH]1 ZINC000547750470 306110562 /nfs/dbraw/zinc/11/05/62/306110562.db2.gz UBTMKSKKGHGQCK-CQSZACIVSA-N 2 1 330.436 1.623 20 0 EDADMP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C[C@@H]1O ZINC000556974441 306222294 /nfs/dbraw/zinc/22/22/94/306222294.db2.gz XYQJUECPGRFTID-SQNIBIBYSA-N 2 1 349.450 1.314 20 0 EDADMP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C[C@@H]1O ZINC000556974441 306222295 /nfs/dbraw/zinc/22/22/95/306222295.db2.gz XYQJUECPGRFTID-SQNIBIBYSA-N 2 1 349.450 1.314 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)NC[C@@H]1CCC[NH2+]C1 ZINC000557197039 306226177 /nfs/dbraw/zinc/22/61/77/306226177.db2.gz NLUDPCBMRJNPIH-QZTJIDSGSA-N 2 1 330.476 1.950 20 0 EDADMP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000458453131 447374986 /nfs/dbraw/zinc/37/49/86/447374986.db2.gz ISZSOONODLUBMH-QGZVFWFLSA-N 2 1 340.512 1.254 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000414969149 447378684 /nfs/dbraw/zinc/37/86/84/447378684.db2.gz SGRMCDBTIBSHKW-QGZVFWFLSA-N 2 1 346.475 1.825 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000426067512 447386007 /nfs/dbraw/zinc/38/60/07/447386007.db2.gz SBJIIYJEBRVLDJ-OAGGEKHMSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000426067512 447386010 /nfs/dbraw/zinc/38/60/10/447386010.db2.gz SBJIIYJEBRVLDJ-OAGGEKHMSA-N 2 1 338.496 1.364 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419765625 447400986 /nfs/dbraw/zinc/40/09/86/447400986.db2.gz QMFQIDAPQDBSJR-AWEZNQCLSA-N 2 1 334.464 1.171 20 0 EDADMP CC(C)c1nc(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)nc(N(C)C)n1 ZINC000378363502 447422368 /nfs/dbraw/zinc/42/23/68/447422368.db2.gz LSKYMICEOCMRNV-AWEZNQCLSA-N 2 1 347.511 1.641 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000070815617 441121966 /nfs/dbraw/zinc/12/19/66/441121966.db2.gz AKFBIYUVMYDRCG-HOCLYGCPSA-N 2 1 330.432 1.074 20 0 EDADMP CC(C)[NH+](CC(N)=O)Cc1cccc(C[N@H+](CC(N)=O)C(C)C)c1 ZINC000070981147 441131667 /nfs/dbraw/zinc/13/16/67/441131667.db2.gz AHWQQMFEIHSEBR-UHFFFAOYSA-N 2 1 334.464 1.078 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000105166065 441240163 /nfs/dbraw/zinc/24/01/63/441240163.db2.gz WMYKHORXMNPTMC-QGZVFWFLSA-N 2 1 334.439 1.918 20 0 EDADMP CNC(=O)NC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000081013053 441220393 /nfs/dbraw/zinc/22/03/93/441220393.db2.gz DSYMWHPISMXISH-RDJZCZTQSA-N 2 1 346.475 1.675 20 0 EDADMP CNC(=O)NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000081013053 441220398 /nfs/dbraw/zinc/22/03/98/441220398.db2.gz DSYMWHPISMXISH-RDJZCZTQSA-N 2 1 346.475 1.675 20 0 EDADMP CNC(=O)NC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000081013053 441220401 /nfs/dbraw/zinc/22/04/01/441220401.db2.gz DSYMWHPISMXISH-RDJZCZTQSA-N 2 1 346.475 1.675 20 0 EDADMP CNC(=O)NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000081013053 441220404 /nfs/dbraw/zinc/22/04/04/441220404.db2.gz DSYMWHPISMXISH-RDJZCZTQSA-N 2 1 346.475 1.675 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000072908363 441276677 /nfs/dbraw/zinc/27/66/77/441276677.db2.gz HVKIUHSNZWHMEK-UHFFFAOYSA-N 2 1 341.496 1.106 20 0 EDADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COCc2cccc(OC)c2)CC1 ZINC000106388438 441336002 /nfs/dbraw/zinc/33/60/02/441336002.db2.gz WWFONTXZWAMOQW-GOSISDBHSA-N 2 1 336.476 1.989 20 0 EDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COCc2cccc(OC)c2)CC1 ZINC000106388438 441336004 /nfs/dbraw/zinc/33/60/04/441336004.db2.gz WWFONTXZWAMOQW-GOSISDBHSA-N 2 1 336.476 1.989 20 0 EDADMP COC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000073648311 441338410 /nfs/dbraw/zinc/33/84/10/441338410.db2.gz VTNGQXPAEUPNPF-WMZOPIPTSA-N 2 1 345.487 1.876 20 0 EDADMP CCC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000107328808 441409716 /nfs/dbraw/zinc/40/97/16/441409716.db2.gz PEFBHSXYRZUVCB-QGZVFWFLSA-N 2 1 340.512 1.517 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3[C@H](C)CCC[C@@H]3C)C2)CC1 ZINC000107368571 441413424 /nfs/dbraw/zinc/41/34/24/441413424.db2.gz RSAABAJTHLMFQD-FGTMMUONSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)N1CC[NH+](C)CC1 ZINC000108450490 441453776 /nfs/dbraw/zinc/45/37/76/441453776.db2.gz WZVXFVPODRHDBD-QGZVFWFLSA-N 2 1 344.503 1.899 20 0 EDADMP C[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000052526327 441457386 /nfs/dbraw/zinc/45/73/86/441457386.db2.gz XBSYEAPBOPQZOV-QGZVFWFLSA-N 2 1 345.491 1.202 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000052526327 441457388 /nfs/dbraw/zinc/45/73/88/441457388.db2.gz XBSYEAPBOPQZOV-QGZVFWFLSA-N 2 1 345.491 1.202 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](CCO)c2ccccc2)CC1 ZINC000075899713 441565210 /nfs/dbraw/zinc/56/52/10/441565210.db2.gz DCMQJWGEKHEOAY-SFHVURJKSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](CCO)c2ccccc2)CC1 ZINC000075899713 441565213 /nfs/dbraw/zinc/56/52/13/441565213.db2.gz DCMQJWGEKHEOAY-SFHVURJKSA-N 2 1 333.476 1.642 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066916650 441585182 /nfs/dbraw/zinc/58/51/82/441585182.db2.gz OCZKZWLVOFHXHW-NCOADZHNSA-N 2 1 327.513 1.967 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066916650 441585183 /nfs/dbraw/zinc/58/51/83/441585183.db2.gz OCZKZWLVOFHXHW-NCOADZHNSA-N 2 1 327.513 1.967 20 0 EDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000091306036 441693904 /nfs/dbraw/zinc/69/39/04/441693904.db2.gz YKRNQQRGBPSWQF-UONOGXRCSA-N 2 1 325.478 1.717 20 0 EDADMP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000116388542 441817427 /nfs/dbraw/zinc/81/74/27/441817427.db2.gz HXLCZDLUXVVZOP-MRXNPFEDSA-N 2 1 331.526 1.370 20 0 EDADMP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000116388542 441817428 /nfs/dbraw/zinc/81/74/28/441817428.db2.gz HXLCZDLUXVVZOP-MRXNPFEDSA-N 2 1 331.526 1.370 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2C(=O)CNC2=O)cc1 ZINC000121845545 441794257 /nfs/dbraw/zinc/79/42/57/441794257.db2.gz KZWDUGZDMCVMNF-LBPRGKRZSA-N 2 1 327.388 1.383 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000077787279 441861480 /nfs/dbraw/zinc/86/14/80/441861480.db2.gz IXEAPQWNGYSLDW-HNNXBMFYSA-N 2 1 340.512 1.253 20 0 EDADMP COCCCNC(=O)[C@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173976693 441871742 /nfs/dbraw/zinc/87/17/42/441871742.db2.gz XIGWIJNXSWDQGV-HKUYNNGSSA-N 2 1 347.503 1.982 20 0 EDADMP C[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)N1CCN(C)CC1 ZINC000121989053 441824315 /nfs/dbraw/zinc/82/43/15/441824315.db2.gz RJYDLFRSGJAXOG-KRWDZBQOSA-N 2 1 332.492 1.261 20 0 EDADMP C[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000121989053 441824320 /nfs/dbraw/zinc/82/43/20/441824320.db2.gz RJYDLFRSGJAXOG-KRWDZBQOSA-N 2 1 332.492 1.261 20 0 EDADMP CC[N@@H+]1CC[C@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H](C)C1 ZINC000093639289 441892109 /nfs/dbraw/zinc/89/21/09/441892109.db2.gz QZGHLOABWREZOV-AEFFLSMTSA-N 2 1 346.523 1.391 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H](C)C1 ZINC000093639289 441892110 /nfs/dbraw/zinc/89/21/10/441892110.db2.gz QZGHLOABWREZOV-AEFFLSMTSA-N 2 1 346.523 1.391 20 0 EDADMP CC[C@H](C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)[NH+](C)C ZINC000125200192 441995072 /nfs/dbraw/zinc/99/50/72/441995072.db2.gz RDOUABILPJHGIE-MRXNPFEDSA-N 2 1 336.480 1.960 20 0 EDADMP CC[NH+]1CCC(N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000125254309 442001405 /nfs/dbraw/zinc/00/14/05/442001405.db2.gz SLHVKCJALXADSU-UHFFFAOYSA-N 2 1 332.496 1.145 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000175782930 442121198 /nfs/dbraw/zinc/12/11/98/442121198.db2.gz UXWFHWDUMGLCFQ-IRXDYDNUSA-N 2 1 338.496 1.082 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000096235992 442098668 /nfs/dbraw/zinc/09/86/68/442098668.db2.gz BNYDOMIFXVHBBW-GOSISDBHSA-N 2 1 331.460 1.490 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000096235992 442098672 /nfs/dbraw/zinc/09/86/72/442098672.db2.gz BNYDOMIFXVHBBW-GOSISDBHSA-N 2 1 331.460 1.490 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000176086748 442173977 /nfs/dbraw/zinc/17/39/77/442173977.db2.gz BKLSLNVGXDATFY-DOTOQJQBSA-N 2 1 325.497 1.580 20 0 EDADMP C[C@@H](CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000167320846 442220635 /nfs/dbraw/zinc/22/06/35/442220635.db2.gz JASGRLGLNHZHTH-WMZOPIPTSA-N 2 1 337.508 1.726 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)C2CC2)[C@@H](C)C1 ZINC000152692799 442238166 /nfs/dbraw/zinc/23/81/66/442238166.db2.gz NMTMERXTQQBRPU-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](CC)C2CC2)[C@@H](C)C1 ZINC000152692799 442238169 /nfs/dbraw/zinc/23/81/69/442238169.db2.gz NMTMERXTQQBRPU-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP CCOCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](CC)C2CC2)[C@@H](C)C1 ZINC000152692799 442238172 /nfs/dbraw/zinc/23/81/72/442238172.db2.gz NMTMERXTQQBRPU-DOTOQJQBSA-N 2 1 325.497 1.724 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCO[C@H](C)C1 ZINC000170767376 442260587 /nfs/dbraw/zinc/26/05/87/442260587.db2.gz LMXZYBFBXYOQSS-ZIFCJYIRSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCO[C@H](C)C1 ZINC000170767376 442260589 /nfs/dbraw/zinc/26/05/89/442260589.db2.gz LMXZYBFBXYOQSS-ZIFCJYIRSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCO[C@H](C)C1 ZINC000170767376 442260592 /nfs/dbraw/zinc/26/05/92/442260592.db2.gz LMXZYBFBXYOQSS-ZIFCJYIRSA-N 2 1 345.487 1.876 20 0 EDADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCO[C@H](C)C1 ZINC000170767376 442260594 /nfs/dbraw/zinc/26/05/94/442260594.db2.gz LMXZYBFBXYOQSS-ZIFCJYIRSA-N 2 1 345.487 1.876 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1)C(C)C ZINC000170920292 442288461 /nfs/dbraw/zinc/28/84/61/442288461.db2.gz VIGSSIHKYALMLU-UHFFFAOYSA-N 2 1 346.519 1.894 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000129632758 442325800 /nfs/dbraw/zinc/32/58/00/442325800.db2.gz SGHTUAKVDJJEKT-AEFFLSMTSA-N 2 1 347.507 1.755 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000177158009 442307691 /nfs/dbraw/zinc/30/76/91/442307691.db2.gz XVOQXLNQYZTHLA-UHFFFAOYSA-N 2 1 332.492 1.261 20 0 EDADMP C[NH+](C)C1CCN(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000177158009 442307693 /nfs/dbraw/zinc/30/76/93/442307693.db2.gz XVOQXLNQYZTHLA-UHFFFAOYSA-N 2 1 332.492 1.261 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000177770287 442382343 /nfs/dbraw/zinc/38/23/43/442382343.db2.gz RMHVOSBTIXPWPT-HLLBOEOZSA-N 2 1 339.505 1.424 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000177770287 442382350 /nfs/dbraw/zinc/38/23/50/442382350.db2.gz RMHVOSBTIXPWPT-HLLBOEOZSA-N 2 1 339.505 1.424 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000130755089 442355356 /nfs/dbraw/zinc/35/53/56/442355356.db2.gz KDXRLILJDSBKAJ-SUMDDJOVSA-N 2 1 348.491 1.261 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000155543597 442407093 /nfs/dbraw/zinc/40/70/93/442407093.db2.gz ZFRCODZXYFMDAI-MAUKXSAKSA-N 2 1 346.475 1.444 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000155543597 442407096 /nfs/dbraw/zinc/40/70/96/442407096.db2.gz ZFRCODZXYFMDAI-MAUKXSAKSA-N 2 1 346.475 1.444 20 0 EDADMP C(=C/CN1CCC[N@H+](C2CC2)CC1)\CN1CCC[NH+](C2CC2)CC1 ZINC000172544088 442486311 /nfs/dbraw/zinc/48/63/11/442486311.db2.gz BGEYDYJTHVDIDR-OWOJBTEDSA-N 2 1 332.536 1.883 20 0 EDADMP CS[C@@H]1CCCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000134559432 442495518 /nfs/dbraw/zinc/49/55/18/442495518.db2.gz HAEDLOMXZFADBV-MRXNPFEDSA-N 2 1 325.522 1.947 20 0 EDADMP COC1(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000178857843 442504584 /nfs/dbraw/zinc/50/45/84/442504584.db2.gz XNSUTLNWOSOLFS-INIZCTEOSA-N 2 1 333.476 1.782 20 0 EDADMP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000179485963 442464870 /nfs/dbraw/zinc/46/48/70/442464870.db2.gz UQBNUYBHZJTABZ-MSOLQXFVSA-N 2 1 328.460 1.921 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000179485963 442464874 /nfs/dbraw/zinc/46/48/74/442464874.db2.gz UQBNUYBHZJTABZ-MSOLQXFVSA-N 2 1 328.460 1.921 20 0 EDADMP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000172821947 442548897 /nfs/dbraw/zinc/54/88/97/442548897.db2.gz ZGJRBEOAEYPAFS-SFHVURJKSA-N 2 1 331.460 1.490 20 0 EDADMP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000172821947 442548901 /nfs/dbraw/zinc/54/89/01/442548901.db2.gz ZGJRBEOAEYPAFS-SFHVURJKSA-N 2 1 331.460 1.490 20 0 EDADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000191788863 442511242 /nfs/dbraw/zinc/51/12/42/442511242.db2.gz GTVNAXYDISKCKL-HOCLYGCPSA-N 2 1 339.480 1.106 20 0 EDADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000191788863 442511246 /nfs/dbraw/zinc/51/12/46/442511246.db2.gz GTVNAXYDISKCKL-HOCLYGCPSA-N 2 1 339.480 1.106 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)NCC3=CC[NH2+]CC3)CC2)cs1 ZINC000186360947 442519148 /nfs/dbraw/zinc/51/91/48/442519148.db2.gz VGYAFHDFACDNHQ-UHFFFAOYSA-N 2 1 334.489 1.699 20 0 EDADMP CC(C)C[C@@](C)(C[NH3+])NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000157381874 442577902 /nfs/dbraw/zinc/57/79/02/442577902.db2.gz JRQYZBKIGHWFON-FQEVSTJZSA-N 2 1 346.519 1.684 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000136094047 442650074 /nfs/dbraw/zinc/65/00/74/442650074.db2.gz MSDWOIBUYRPANF-YESZJQIVSA-N 2 1 333.480 1.319 20 0 EDADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CCS(=O)(=O)CC1 ZINC000187164559 442657602 /nfs/dbraw/zinc/65/76/02/442657602.db2.gz UCNVJWSHZUSWHA-OAHLLOKOSA-N 2 1 345.553 1.063 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000192667866 442674798 /nfs/dbraw/zinc/67/47/98/442674798.db2.gz CZTQZRJMUQEGSW-UHFFFAOYSA-N 2 1 344.459 2.000 20 0 EDADMP COC(=O)[C@@H](C)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000192730869 442681357 /nfs/dbraw/zinc/68/13/57/442681357.db2.gz QKKCEDUPOYHMEW-INIZCTEOSA-N 2 1 325.497 1.676 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCCOCC1 ZINC000187193843 442659583 /nfs/dbraw/zinc/65/95/83/442659583.db2.gz WZACMYWAMYMCIX-MRXNPFEDSA-N 2 1 326.485 1.272 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC([C@H]4CCCO4)CC3)cn2)CC1 ZINC000188284798 442733907 /nfs/dbraw/zinc/73/39/07/442733907.db2.gz PFOBLTGFWUOVEB-GOSISDBHSA-N 2 1 345.491 1.619 20 0 EDADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)c1 ZINC000188739788 442800502 /nfs/dbraw/zinc/80/05/02/442800502.db2.gz YFVZIQLRFQGKRF-UHFFFAOYSA-N 2 1 341.459 1.826 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1ccccc1F ZINC000182969209 442857874 /nfs/dbraw/zinc/85/78/74/442857874.db2.gz DOCFTBLCLAZOLH-INIZCTEOSA-N 2 1 339.455 1.135 20 0 EDADMP CCS(=O)(=O)C[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000183082524 442876383 /nfs/dbraw/zinc/87/63/83/442876383.db2.gz VOKNRDHHBPILBT-CYBMUJFWSA-N 2 1 340.493 1.475 20 0 EDADMP COCCC1(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)CCCCC1 ZINC000189142605 442885655 /nfs/dbraw/zinc/88/56/55/442885655.db2.gz LOQDLSPSCCAQHK-UHFFFAOYSA-N 2 1 325.497 1.727 20 0 EDADMP O=S(=O)(CCO)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000189174870 442892131 /nfs/dbraw/zinc/89/21/31/442892131.db2.gz MRNHRIDVLAWWRW-HZPDHXFCSA-N 2 1 338.473 1.169 20 0 EDADMP O=S(=O)(CCO)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000189174870 442892138 /nfs/dbraw/zinc/89/21/38/442892138.db2.gz MRNHRIDVLAWWRW-HZPDHXFCSA-N 2 1 338.473 1.169 20 0 EDADMP CCOC(=O)C[C@@H](C)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000183180775 442896632 /nfs/dbraw/zinc/89/66/32/442896632.db2.gz LSBVINFEBAWMPW-CQSZACIVSA-N 2 1 335.452 1.002 20 0 EDADMP CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000183180775 442896637 /nfs/dbraw/zinc/89/66/37/442896637.db2.gz LSBVINFEBAWMPW-CQSZACIVSA-N 2 1 335.452 1.002 20 0 EDADMP Cn1c[nH+]cc1CC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000623086941 450397727 /nfs/dbraw/zinc/39/77/27/450397727.db2.gz SSEOTFWAAHQGLQ-UHFFFAOYSA-N 2 1 339.399 1.914 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000183913102 442974910 /nfs/dbraw/zinc/97/49/10/442974910.db2.gz BMSBJAWUWHWCKI-OALUTQOASA-N 2 1 347.503 1.980 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000183913102 442974913 /nfs/dbraw/zinc/97/49/13/442974913.db2.gz BMSBJAWUWHWCKI-OALUTQOASA-N 2 1 347.503 1.980 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000183913102 442974915 /nfs/dbraw/zinc/97/49/15/442974915.db2.gz BMSBJAWUWHWCKI-OALUTQOASA-N 2 1 347.503 1.980 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000183913102 442974918 /nfs/dbraw/zinc/97/49/18/442974918.db2.gz BMSBJAWUWHWCKI-OALUTQOASA-N 2 1 347.503 1.980 20 0 EDADMP COc1cccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)[NH+](C)C)c1 ZINC000195122223 442985044 /nfs/dbraw/zinc/98/50/44/442985044.db2.gz OIZOODXFTIYMKL-WBVHZDCISA-N 2 1 334.464 1.691 20 0 EDADMP CC[C@]1(CO)CCC[NH+]1CC1(C[N@@H+]2CCC[C@@]2(CC)CO)COC1 ZINC000189681640 442993444 /nfs/dbraw/zinc/99/34/44/442993444.db2.gz QFQZGZLSMUQKTP-KDURUIRLSA-N 2 1 340.508 1.477 20 0 EDADMP CC[C@]1(CO)CCC[N@H+]1CC1(C[NH+]2CCC[C@@]2(CC)CO)COC1 ZINC000189681640 442993448 /nfs/dbraw/zinc/99/34/48/442993448.db2.gz QFQZGZLSMUQKTP-KDURUIRLSA-N 2 1 340.508 1.477 20 0 EDADMP CC[C@]1(CO)CCC[N@@H+]1CC1(C[NH+]2CCC[C@@]2(CC)CO)COC1 ZINC000189681640 442993452 /nfs/dbraw/zinc/99/34/52/442993452.db2.gz QFQZGZLSMUQKTP-KDURUIRLSA-N 2 1 340.508 1.477 20 0 EDADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000268878631 443135326 /nfs/dbraw/zinc/13/53/26/443135326.db2.gz XCVFFGVLKNYUOZ-WMZOPIPTSA-N 3 1 335.492 1.734 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000236662669 443143411 /nfs/dbraw/zinc/14/34/11/443143411.db2.gz VMUKIEYRRNIAQH-IKGGRYGDSA-N 2 1 325.497 1.757 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649478 443196905 /nfs/dbraw/zinc/19/69/05/443196905.db2.gz XVDLJYAFSZBVMU-STQMWFEESA-N 2 1 345.447 1.457 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CCC[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000262141804 443183790 /nfs/dbraw/zinc/18/37/90/443183790.db2.gz PJBLRLMJZZBYEO-KZNAEPCWSA-N 2 1 329.444 1.841 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CCC[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000262141804 443183795 /nfs/dbraw/zinc/18/37/95/443183795.db2.gz PJBLRLMJZZBYEO-KZNAEPCWSA-N 2 1 329.444 1.841 20 0 EDADMP COC[C@@H]([NH3+])C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000262349003 443191251 /nfs/dbraw/zinc/19/12/51/443191251.db2.gz UFMGDCBNYBBKSY-IAGOWNOFSA-N 2 1 333.476 1.549 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H](C)C[NH2+]C)cc2F)CC1 ZINC000236894619 443150794 /nfs/dbraw/zinc/15/07/94/443150794.db2.gz DVRFDOXBXRIOFS-CQSZACIVSA-N 2 1 336.455 1.553 20 0 EDADMP CC[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000236956801 443153681 /nfs/dbraw/zinc/15/36/81/443153681.db2.gz FWOGEHSPYVPDER-OALUTQOASA-N 2 1 345.487 1.708 20 0 EDADMP CC(C)N(C)c1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000190951517 443213078 /nfs/dbraw/zinc/21/30/78/443213078.db2.gz HGMSZRAATPTYIP-UHFFFAOYSA-N 2 1 333.480 1.180 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000366242833 319118474 /nfs/dbraw/zinc/11/84/74/319118474.db2.gz CUJLERUAXRMYII-HYVNUMGLSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000366242833 319118475 /nfs/dbraw/zinc/11/84/75/319118475.db2.gz CUJLERUAXRMYII-HYVNUMGLSA-N 2 1 338.496 1.412 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nccn2ccnc12 ZINC000266812891 443252847 /nfs/dbraw/zinc/25/28/47/443252847.db2.gz IANKVJFEMYRDJV-HNNXBMFYSA-N 2 1 344.463 1.217 20 0 EDADMP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000269260858 443256140 /nfs/dbraw/zinc/25/61/40/443256140.db2.gz WIFOHNGOKSKMMN-GJZGRUSLSA-N 2 1 337.489 1.455 20 0 EDADMP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000413812569 319291739 /nfs/dbraw/zinc/29/17/39/319291739.db2.gz CUJAIEINBWINQV-SFHVURJKSA-N 2 1 330.476 1.651 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000413812569 319291742 /nfs/dbraw/zinc/29/17/42/319291742.db2.gz CUJAIEINBWINQV-SFHVURJKSA-N 2 1 330.476 1.651 20 0 EDADMP CC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C[C@@H]1COc2ccccc2O1 ZINC000414673427 319339745 /nfs/dbraw/zinc/33/97/45/319339745.db2.gz CFYGZOCNXSXDCV-JKSUJKDBSA-N 2 1 347.459 1.346 20 0 EDADMP COCC[N@@H+](CCCc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414693449 319343552 /nfs/dbraw/zinc/34/35/52/319343552.db2.gz RMRMMSMXVVLUIN-LJQANCHMSA-N 2 1 347.503 1.765 20 0 EDADMP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000414994086 319344598 /nfs/dbraw/zinc/34/45/98/319344598.db2.gz CZKZITRHDOLKEO-QWHCGFSZSA-N 2 1 332.416 1.683 20 0 EDADMP Cc1ccc(NC(=O)C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000264304707 443258934 /nfs/dbraw/zinc/25/89/34/443258934.db2.gz XEAGRFGEPKLLHQ-MRXNPFEDSA-N 2 1 333.476 1.958 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000415904582 319383089 /nfs/dbraw/zinc/38/30/89/319383089.db2.gz GMXLRTHHISEHTF-GJZGRUSLSA-N 2 1 334.464 1.715 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@H]1C ZINC000415939105 319383737 /nfs/dbraw/zinc/38/37/37/319383737.db2.gz QFPOYKGLQWILMY-CQSZACIVSA-N 2 1 336.436 1.209 20 0 EDADMP COCC[N@H+]1CCN(C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@H]1C ZINC000415939105 319383738 /nfs/dbraw/zinc/38/37/38/319383738.db2.gz QFPOYKGLQWILMY-CQSZACIVSA-N 2 1 336.436 1.209 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000185814695 443263170 /nfs/dbraw/zinc/26/31/70/443263170.db2.gz QNHRLWLKRUDLKL-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000416946605 319482453 /nfs/dbraw/zinc/48/24/53/319482453.db2.gz GBGUDDMBRIKJDV-CVEARBPZSA-N 2 1 326.485 1.256 20 0 EDADMP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000278602973 443374687 /nfs/dbraw/zinc/37/46/87/443374687.db2.gz IXAIFIHGPBXVHP-QGZVFWFLSA-N 2 1 331.460 1.870 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[NH+]1C ZINC000264981753 443499279 /nfs/dbraw/zinc/49/92/79/443499279.db2.gz LNWKNWBKZGTZJA-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000264981753 443499281 /nfs/dbraw/zinc/49/92/81/443499281.db2.gz LNWKNWBKZGTZJA-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000264981753 443499283 /nfs/dbraw/zinc/49/92/83/443499283.db2.gz LNWKNWBKZGTZJA-ROUUACIJSA-N 2 1 330.476 1.989 20 0 EDADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423364700 319767162 /nfs/dbraw/zinc/76/71/62/319767162.db2.gz OXXNOWGUUDZCLH-DZGCQCFKSA-N 2 1 325.478 1.730 20 0 EDADMP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000273098553 443538667 /nfs/dbraw/zinc/53/86/67/443538667.db2.gz PHCBCUOKPBKYND-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000428423767 319912065 /nfs/dbraw/zinc/91/20/65/319912065.db2.gz RGTWVAFINLCZBI-IIDMSEBBSA-N 2 1 331.460 1.730 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000265414911 443634506 /nfs/dbraw/zinc/63/45/06/443634506.db2.gz ICBFEEPJDADKJZ-QZTJIDSGSA-N 2 1 346.475 1.233 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272338188 443596642 /nfs/dbraw/zinc/59/66/42/443596642.db2.gz OJPFPAFYTGTFGU-NVXWUHKLSA-N 2 1 344.459 1.239 20 0 EDADMP CO[C@H]1CC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000267850189 443597961 /nfs/dbraw/zinc/59/79/61/443597961.db2.gz WLSQSWHBXYOXDJ-APWZRJJASA-N 2 1 345.487 1.876 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000439351726 320045954 /nfs/dbraw/zinc/04/59/54/320045954.db2.gz WQUSUCPGFPGESH-HNNXBMFYSA-N 2 1 346.475 1.548 20 0 EDADMP CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000449363831 320184077 /nfs/dbraw/zinc/18/40/77/320184077.db2.gz PHJMLDHHKLAEBZ-OWYHZJEWSA-N 2 1 345.487 1.638 20 0 EDADMP CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000449363831 320184080 /nfs/dbraw/zinc/18/40/80/320184080.db2.gz PHJMLDHHKLAEBZ-OWYHZJEWSA-N 2 1 345.487 1.638 20 0 EDADMP CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000449363829 320184320 /nfs/dbraw/zinc/18/43/20/320184320.db2.gz PHJMLDHHKLAEBZ-NXWXRZEISA-N 2 1 345.487 1.638 20 0 EDADMP CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000449363829 320184321 /nfs/dbraw/zinc/18/43/21/320184321.db2.gz PHJMLDHHKLAEBZ-NXWXRZEISA-N 2 1 345.487 1.638 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCCCC[C@H]2C(=O)OC)CC1 ZINC000451235417 320232240 /nfs/dbraw/zinc/23/22/40/320232240.db2.gz PCUMIQNJPVVQMC-XHSDSOJGSA-N 2 1 339.480 1.251 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000457143374 320320626 /nfs/dbraw/zinc/32/06/26/320320626.db2.gz ZQOFPSAKJBEXCY-KRWDZBQOSA-N 2 1 345.487 1.811 20 0 EDADMP C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)C[C@H](C)[N@@H+]1CCO ZINC000457445957 320326151 /nfs/dbraw/zinc/32/61/51/320326151.db2.gz XIKTYSWVFKNVQB-IYBDPMFKSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000457713103 320333076 /nfs/dbraw/zinc/33/30/76/320333076.db2.gz PJDOHGZPLAIVSG-BBWFWOEESA-N 2 1 340.512 1.062 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000457713103 320333077 /nfs/dbraw/zinc/33/30/77/320333077.db2.gz PJDOHGZPLAIVSG-BBWFWOEESA-N 2 1 340.512 1.062 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)C1 ZINC000457713103 320333078 /nfs/dbraw/zinc/33/30/78/320333078.db2.gz PJDOHGZPLAIVSG-BBWFWOEESA-N 2 1 340.512 1.062 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)C1 ZINC000457713103 320333079 /nfs/dbraw/zinc/33/30/79/320333079.db2.gz PJDOHGZPLAIVSG-BBWFWOEESA-N 2 1 340.512 1.062 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000458547581 320337380 /nfs/dbraw/zinc/33/73/80/320337380.db2.gz XNUDMVHZHSIDBT-IXDOHACOSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000458547581 320337381 /nfs/dbraw/zinc/33/73/81/320337381.db2.gz XNUDMVHZHSIDBT-IXDOHACOSA-N 2 1 340.512 1.061 20 0 EDADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000458547581 320337382 /nfs/dbraw/zinc/33/73/82/320337382.db2.gz XNUDMVHZHSIDBT-IXDOHACOSA-N 2 1 340.512 1.061 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccncc1 ZINC000491348462 320369065 /nfs/dbraw/zinc/36/90/65/320369065.db2.gz FXIVFKZOXNTEPB-DVBCCOPCSA-N 2 1 330.476 1.969 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000276669478 443785351 /nfs/dbraw/zinc/78/53/51/443785351.db2.gz RQUHXTXQWNMBEE-UHFFFAOYSA-N 2 1 345.487 1.558 20 0 EDADMP c1coc(-c2noc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000530240313 320616909 /nfs/dbraw/zinc/61/69/09/320616909.db2.gz KITJLGONTKBZJW-AWEZNQCLSA-N 2 1 332.404 1.920 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000284994200 443812350 /nfs/dbraw/zinc/81/23/50/443812350.db2.gz LTHLDLCRRDQMOA-MRXNPFEDSA-N 2 1 348.491 1.081 20 0 EDADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000277235993 443946034 /nfs/dbraw/zinc/94/60/34/443946034.db2.gz PCSMIXHUBGLCSU-GJZGRUSLSA-N 2 1 345.443 1.060 20 0 EDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000277235993 443946039 /nfs/dbraw/zinc/94/60/39/443946039.db2.gz PCSMIXHUBGLCSU-GJZGRUSLSA-N 2 1 345.443 1.060 20 0 EDADMP O=C1C[C@]2(CC[N@@H+](CCCN3CCN(c4ccccc4)CC3)C2)CN1 ZINC000285261152 443915768 /nfs/dbraw/zinc/91/57/68/443915768.db2.gz IZVAWGMUEBFDDP-HXUWFJFHSA-N 2 1 342.487 1.411 20 0 EDADMP C[C@H](NC(=O)NC[C@H]1CN(C)CCN1C)[C@H](c1ccccc1)[NH+](C)C ZINC000288741206 443969741 /nfs/dbraw/zinc/96/97/41/443969741.db2.gz BMJBXYAVYJWHCR-RYQLBKOJSA-N 2 1 347.507 1.223 20 0 EDADMP C[N@@H+](CC[C@H]1CCOC1=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285430796 443981902 /nfs/dbraw/zinc/98/19/02/443981902.db2.gz KOLCYWTUNKCVGL-IBGZPJMESA-N 2 1 345.487 1.689 20 0 EDADMP c1ncn(CC[N@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)n1 ZINC000289032557 444038028 /nfs/dbraw/zinc/03/80/28/444038028.db2.gz BBFOIVTXCRGCCS-OAHLLOKOSA-N 2 1 328.420 1.427 20 0 EDADMP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2)CC1 ZINC000299553413 444077725 /nfs/dbraw/zinc/07/77/25/444077725.db2.gz QYCAQSWSJRXMCV-LJQANCHMSA-N 2 1 344.503 1.535 20 0 EDADMP CC[NH2+]CCCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000562804344 321077155 /nfs/dbraw/zinc/07/71/55/321077155.db2.gz GLYMTHWZMVYWCV-KRWDZBQOSA-N 2 1 347.507 1.496 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)Cc1ccccc1)C2 ZINC000563137844 321098064 /nfs/dbraw/zinc/09/80/64/321098064.db2.gz JRZVAIRKPOWNMN-DLBZAZTESA-N 2 1 329.444 1.234 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CC[C@H](Oc3ccccc3)C2)C1=O ZINC000563141360 321098726 /nfs/dbraw/zinc/09/87/26/321098726.db2.gz IDBDNIAKZJMQPO-IRXDYDNUSA-N 2 1 345.443 1.219 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CC[C@H](Oc3ccccc3)C2)C1=O ZINC000563141360 321098728 /nfs/dbraw/zinc/09/87/28/321098728.db2.gz IDBDNIAKZJMQPO-IRXDYDNUSA-N 2 1 345.443 1.219 20 0 EDADMP CCn1nnc(C)c1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000564409424 321129755 /nfs/dbraw/zinc/12/97/55/321129755.db2.gz TXQAFLPDIQRMDW-MRXNPFEDSA-N 2 1 348.520 1.746 20 0 EDADMP O=C(NC[C@H]1C[NH2+]CCO1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000565881427 321204959 /nfs/dbraw/zinc/20/49/59/321204959.db2.gz JUAMJNCJFSPTRS-ZWKOTPCHSA-N 2 1 346.475 1.329 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)CC2 ZINC000567054668 321240779 /nfs/dbraw/zinc/24/07/79/321240779.db2.gz XDNINGALPDJTJS-DZGCQCFKSA-N 2 1 334.464 1.058 20 0 EDADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)CC2 ZINC000567054668 321240782 /nfs/dbraw/zinc/24/07/82/321240782.db2.gz XDNINGALPDJTJS-DZGCQCFKSA-N 2 1 334.464 1.058 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CCOC ZINC000567979913 321270873 /nfs/dbraw/zinc/27/08/73/321270873.db2.gz CBUSHYQMGHFYSB-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CCOC ZINC000567979913 321270874 /nfs/dbraw/zinc/27/08/74/321270874.db2.gz CBUSHYQMGHFYSB-CVEARBPZSA-N 2 1 325.497 1.724 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1Cn1cnc2ccccc21)C1CC1 ZINC000289297171 444099911 /nfs/dbraw/zinc/09/99/11/444099911.db2.gz CAYXAXRIZBCWFT-IAGOWNOFSA-N 2 1 328.460 1.956 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1Cn1cnc2ccccc21)C1CC1 ZINC000289297171 444099912 /nfs/dbraw/zinc/09/99/12/444099912.db2.gz CAYXAXRIZBCWFT-IAGOWNOFSA-N 2 1 328.460 1.956 20 0 EDADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21)C1CC1 ZINC000289297171 444099914 /nfs/dbraw/zinc/09/99/14/444099914.db2.gz CAYXAXRIZBCWFT-IAGOWNOFSA-N 2 1 328.460 1.956 20 0 EDADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21)C1CC1 ZINC000289297171 444099915 /nfs/dbraw/zinc/09/99/15/444099915.db2.gz CAYXAXRIZBCWFT-IAGOWNOFSA-N 2 1 328.460 1.956 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000570038810 321335352 /nfs/dbraw/zinc/33/53/52/321335352.db2.gz KBDBHHDPBDUSCM-OAHLLOKOSA-N 2 1 333.480 1.679 20 0 EDADMP CC(C)[N@H+](C)CC1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000570038810 321335354 /nfs/dbraw/zinc/33/53/54/321335354.db2.gz KBDBHHDPBDUSCM-OAHLLOKOSA-N 2 1 333.480 1.679 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000570038810 321335356 /nfs/dbraw/zinc/33/53/56/321335356.db2.gz KBDBHHDPBDUSCM-OAHLLOKOSA-N 2 1 333.480 1.679 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)C1 ZINC000570813811 321359681 /nfs/dbraw/zinc/35/96/81/321359681.db2.gz KKNZIQHLVWEAPV-GOEBONIOSA-N 2 1 331.464 1.502 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000282327676 444149282 /nfs/dbraw/zinc/14/92/82/444149282.db2.gz FNARJBIWZDSXBV-VXIBKDFQSA-N 2 1 345.487 1.985 20 0 EDADMP COC(=O)CC[N@H+]1CCN(CC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000294931475 444159850 /nfs/dbraw/zinc/15/98/50/444159850.db2.gz HJWWWNZPSJLMNS-KRWDZBQOSA-N 2 1 333.476 1.688 20 0 EDADMP Cc1nn2c(C[N@H+](C)CCCN(C)CC[NH+](C)C)c(C)nc2s1 ZINC000290155241 444249130 /nfs/dbraw/zinc/24/91/30/444249130.db2.gz LLXQIQZLXBASAP-UHFFFAOYSA-N 2 1 338.525 1.723 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)ncn3)CC[C@H]21 ZINC000302917491 444231790 /nfs/dbraw/zinc/23/17/90/444231790.db2.gz WZQJDPXKTNTJMQ-BRWVUGGUSA-N 2 1 345.491 1.748 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000303271504 444236064 /nfs/dbraw/zinc/23/60/64/444236064.db2.gz JTTVNBGOTXXJOG-RYRKJORJSA-N 2 1 339.524 1.706 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000304028243 444241064 /nfs/dbraw/zinc/24/10/64/444241064.db2.gz ZXMMGTXSCPOGAG-GOSISDBHSA-N 2 1 333.476 1.327 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000304028243 444241066 /nfs/dbraw/zinc/24/10/66/444241066.db2.gz ZXMMGTXSCPOGAG-GOSISDBHSA-N 2 1 333.476 1.327 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000290104253 444243058 /nfs/dbraw/zinc/24/30/58/444243058.db2.gz XXMXZVSULFSIIJ-YESZJQIVSA-N 2 1 344.459 1.463 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000290104253 444243060 /nfs/dbraw/zinc/24/30/60/444243060.db2.gz XXMXZVSULFSIIJ-YESZJQIVSA-N 2 1 344.459 1.463 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)C2 ZINC000577952960 321698867 /nfs/dbraw/zinc/69/88/67/321698867.db2.gz KASHKWSRJIWICJ-DLBZAZTESA-N 2 1 347.434 1.373 20 0 EDADMP CC(C)CCOCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000321959679 444338102 /nfs/dbraw/zinc/33/81/02/444338102.db2.gz XKKAJUDBGVRJJI-DLBZAZTESA-N 2 1 325.497 1.629 20 0 EDADMP O=C(C[C@H]1CCC[NH2+]C1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000324712113 444357965 /nfs/dbraw/zinc/35/79/65/444357965.db2.gz DKXNNKLDMTZDDY-GOSISDBHSA-N 2 1 331.460 1.525 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCN3C(=O)c4ccccc4C3=O)C[C@@H]21 ZINC000325693847 444368055 /nfs/dbraw/zinc/36/80/55/444368055.db2.gz RBFARYDBSXGLDF-XOKHGSTOSA-N 2 1 327.428 1.732 20 0 EDADMP O=C(COc1ccccc1)N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000298006774 444384711 /nfs/dbraw/zinc/38/47/11/444384711.db2.gz BQPRGQDHCWYRBM-KRWDZBQOSA-N 2 1 343.471 1.883 20 0 EDADMP C[C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000579708522 321964030 /nfs/dbraw/zinc/96/40/30/321964030.db2.gz OXPJEPBTPZGTHE-YESZJQIVSA-N 2 1 347.507 1.622 20 0 EDADMP C[C@H]1[C@H](NC(=O)NCC2=CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000580420796 322048277 /nfs/dbraw/zinc/04/82/77/322048277.db2.gz QVWJKYZCVWRFBE-MAUKXSAKSA-N 2 1 328.460 1.868 20 0 EDADMP O[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)Cc1ccccc1 ZINC000580545199 322064157 /nfs/dbraw/zinc/06/41/57/322064157.db2.gz IALZFAGNABCKPB-NHCUHLMSSA-N 2 1 340.467 1.946 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000580949382 322116124 /nfs/dbraw/zinc/11/61/24/322116124.db2.gz OGHAVIDVEAHYGI-UHFFFAOYSA-N 2 1 345.487 1.926 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000343722394 444546005 /nfs/dbraw/zinc/54/60/05/444546005.db2.gz FAQCPQWOURZKCM-YLJYHZDGSA-N 2 1 331.504 1.690 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000332894790 444589358 /nfs/dbraw/zinc/58/93/58/444589358.db2.gz YHIXNTYIAYJBSV-AYBZRNKSSA-N 2 1 345.487 1.783 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000332894790 444589362 /nfs/dbraw/zinc/58/93/62/444589362.db2.gz YHIXNTYIAYJBSV-AYBZRNKSSA-N 2 1 345.487 1.783 20 0 EDADMP CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338269528 444600580 /nfs/dbraw/zinc/60/05/80/444600580.db2.gz FBNSVMSHDPQSOV-HOTGVXAUSA-N 2 1 325.497 1.676 20 0 EDADMP CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338269528 444600585 /nfs/dbraw/zinc/60/05/85/444600585.db2.gz FBNSVMSHDPQSOV-HOTGVXAUSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[C@H]1C ZINC000333263146 444651693 /nfs/dbraw/zinc/65/16/93/444651693.db2.gz FEPINOJYLGJZCZ-ZIAGYGMSSA-N 2 1 348.447 1.087 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOCC)[C@H](CC)C1 ZINC000342370132 444661062 /nfs/dbraw/zinc/66/10/62/444661062.db2.gz DXQOPWFLOVWBIY-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOCC)[C@H](CC)C1 ZINC000342370132 444661064 /nfs/dbraw/zinc/66/10/64/444661064.db2.gz DXQOPWFLOVWBIY-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC000342370132 444661067 /nfs/dbraw/zinc/66/10/67/444661067.db2.gz DXQOPWFLOVWBIY-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000342370132 444661070 /nfs/dbraw/zinc/66/10/70/444661070.db2.gz DXQOPWFLOVWBIY-SJORKVTESA-N 2 1 325.497 1.820 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333486746 444675412 /nfs/dbraw/zinc/67/54/12/444675412.db2.gz CUKKYMBTGHBEQI-RDHHWEPZSA-N 2 1 337.512 1.114 20 0 EDADMP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)NCCC1CCCCC1 ZINC000333888417 444709023 /nfs/dbraw/zinc/70/90/23/444709023.db2.gz WKRQEMQNLRRARW-MSOLQXFVSA-N 2 1 349.519 1.773 20 0 EDADMP C[C@H]1[NH2+]CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H]1C ZINC000333893264 444710610 /nfs/dbraw/zinc/71/06/10/444710610.db2.gz HKAHLMYKJPUVCK-CVEARBPZSA-N 2 1 338.496 1.413 20 0 EDADMP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C1C[NH2+]C1 ZINC000342498030 444717329 /nfs/dbraw/zinc/71/73/29/444717329.db2.gz BJETUQFIWBIKQM-RDTXWAMCSA-N 2 1 330.476 1.668 20 0 EDADMP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C1C[NH2+]C1 ZINC000342498030 444717332 /nfs/dbraw/zinc/71/73/32/444717332.db2.gz BJETUQFIWBIKQM-RDTXWAMCSA-N 2 1 330.476 1.668 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000341238810 444744663 /nfs/dbraw/zinc/74/46/63/444744663.db2.gz JOVODUCOXCWTIP-MNEFBYGVSA-N 2 1 344.503 1.941 20 0 EDADMP COCCN1CC[C@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000344122414 444793292 /nfs/dbraw/zinc/79/32/92/444793292.db2.gz SULMKWWOHQEATK-KRWDZBQOSA-N 2 1 339.524 1.720 20 0 EDADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)N1CCC[C@@H](C)C1 ZINC000344150037 444808694 /nfs/dbraw/zinc/80/86/94/444808694.db2.gz FVBSEUAIOLDYKF-GOSISDBHSA-N 2 1 338.540 1.594 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)N1CCC[C@@H](C)C1 ZINC000344150037 444808698 /nfs/dbraw/zinc/80/86/98/444808698.db2.gz FVBSEUAIOLDYKF-GOSISDBHSA-N 2 1 338.540 1.594 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000344154820 444811392 /nfs/dbraw/zinc/81/13/92/444811392.db2.gz HJIPJCVRTJFEBN-JQHSSLGASA-N 2 1 339.524 1.970 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000344154820 444811395 /nfs/dbraw/zinc/81/13/95/444811395.db2.gz HJIPJCVRTJFEBN-JQHSSLGASA-N 2 1 339.524 1.970 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC[NH+](C)C2CC2)C[C@@H]1CC ZINC000342630960 444786988 /nfs/dbraw/zinc/78/69/88/444786988.db2.gz BMJYGRPQNULDHY-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@H+](C)C2CC2)C[C@@H]1CC ZINC000342630960 444786994 /nfs/dbraw/zinc/78/69/94/444786994.db2.gz BMJYGRPQNULDHY-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CC2)C[C@@H]1CC ZINC000342630960 444786996 /nfs/dbraw/zinc/78/69/96/444786996.db2.gz BMJYGRPQNULDHY-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)CCC[N@H+]1C ZINC000341444270 444835741 /nfs/dbraw/zinc/83/57/41/444835741.db2.gz ZBSCLZOOJZJOQS-GDBMZVCRSA-N 2 1 349.479 1.304 20 0 EDADMP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CCC[NH+]1C1CCCC1 ZINC000342950671 444961648 /nfs/dbraw/zinc/96/16/48/444961648.db2.gz MDNALBKRSOEDIN-QZTJIDSGSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000342950671 444961651 /nfs/dbraw/zinc/96/16/51/444961651.db2.gz MDNALBKRSOEDIN-QZTJIDSGSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000342950671 444961656 /nfs/dbraw/zinc/96/16/56/444961656.db2.gz MDNALBKRSOEDIN-QZTJIDSGSA-N 2 1 337.508 1.747 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC000337452076 445087811 /nfs/dbraw/zinc/08/78/11/445087811.db2.gz UNTWKILZMZHRNC-MWDXBVQZSA-N 2 1 325.497 1.674 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000343070168 445040485 /nfs/dbraw/zinc/04/04/85/445040485.db2.gz GDBRCQPUWOHJQL-INIZCTEOSA-N 2 1 340.512 1.212 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCCC[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000339410880 445136565 /nfs/dbraw/zinc/13/65/65/445136565.db2.gz YNWFOINZARZFAZ-QGZVFWFLSA-N 2 1 339.528 1.044 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1[NH+](C)C ZINC000344732175 445137365 /nfs/dbraw/zinc/13/73/65/445137365.db2.gz RUGCYKSHLXGRON-HRCADAONSA-N 2 1 325.522 1.897 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000339223562 445098257 /nfs/dbraw/zinc/09/82/57/445098257.db2.gz BVHCEURSFVNIQO-JKSUJKDBSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342083879 445163263 /nfs/dbraw/zinc/16/32/63/445163263.db2.gz KZKOYASBCZTASG-OCVGTWLNSA-N 2 1 345.443 1.844 20 0 EDADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342083879 445163266 /nfs/dbraw/zinc/16/32/66/445163266.db2.gz KZKOYASBCZTASG-OCVGTWLNSA-N 2 1 345.443 1.844 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342100390 445172527 /nfs/dbraw/zinc/17/25/27/445172527.db2.gz KDMACEMMRCQJSC-FHWLQOOXSA-N 2 1 345.487 1.899 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342100390 445172532 /nfs/dbraw/zinc/17/25/32/445172532.db2.gz KDMACEMMRCQJSC-FHWLQOOXSA-N 2 1 345.487 1.899 20 0 EDADMP O=C(NCCN1CCC1)NCc1cccc(CN2CCOCC2)c1 ZINC000337639193 445181657 /nfs/dbraw/zinc/18/16/57/445181657.db2.gz SIIYELZSKONELP-UHFFFAOYSA-N 2 1 332.448 1.024 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000337651424 445187937 /nfs/dbraw/zinc/18/79/37/445187937.db2.gz KIWXGJPTGMWICF-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000337651424 445187940 /nfs/dbraw/zinc/18/79/40/445187940.db2.gz KIWXGJPTGMWICF-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000337651424 445187942 /nfs/dbraw/zinc/18/79/42/445187942.db2.gz KIWXGJPTGMWICF-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)n1nc(C)cc1C ZINC000337580096 445148718 /nfs/dbraw/zinc/14/87/18/445148718.db2.gz NCDWCWXVMPAYHQ-QZTJIDSGSA-N 2 1 349.523 1.935 20 0 EDADMP COc1cc2[nH+]c(NCCC[NH+]3CCCCC3)nc(N)c2cc1OC ZINC000346611649 445219329 /nfs/dbraw/zinc/21/93/29/445219329.db2.gz OLOYYMJTEXIQKW-UHFFFAOYSA-N 2 1 345.447 1.939 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000347042416 445230062 /nfs/dbraw/zinc/23/00/62/445230062.db2.gz KQZKTZWOQXPQIM-IXDOHACOSA-N 2 1 340.512 1.374 20 0 EDADMP COCC[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000347042416 445230064 /nfs/dbraw/zinc/23/00/64/445230064.db2.gz KQZKTZWOQXPQIM-IXDOHACOSA-N 2 1 340.512 1.374 20 0 EDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000343479159 445230470 /nfs/dbraw/zinc/23/04/70/445230470.db2.gz TZGCASBJQBJAOY-GJZGRUSLSA-N 2 1 346.475 1.546 20 0 EDADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000343517958 445237670 /nfs/dbraw/zinc/23/76/70/445237670.db2.gz XNUAPXUHOZEFMT-XJKSGUPXSA-N 2 1 349.450 1.999 20 0 EDADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000343517958 445237672 /nfs/dbraw/zinc/23/76/72/445237672.db2.gz XNUAPXUHOZEFMT-XJKSGUPXSA-N 2 1 349.450 1.999 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)Nc2cccc(C[NH+](C)C)c2)[N@@H+](C)C1 ZINC000343579505 445249522 /nfs/dbraw/zinc/24/95/22/445249522.db2.gz JWQKFBBGOTVTBB-DLBZAZTESA-N 2 1 334.464 1.931 20 0 EDADMP CC(C)[C@@H](CO)[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000351643070 445254985 /nfs/dbraw/zinc/25/49/85/445254985.db2.gz ZUSDCKFCDIEJCU-GOSISDBHSA-N 2 1 333.476 1.327 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)C[C@@H](C)O1 ZINC000343607016 445260981 /nfs/dbraw/zinc/26/09/81/445260981.db2.gz AZAFOKICAFTYBA-KLHDSHLOSA-N 2 1 326.485 1.268 20 0 EDADMP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000348105174 445269738 /nfs/dbraw/zinc/26/97/38/445269738.db2.gz DYAPZVYOQWLEMV-HYVNUMGLSA-N 2 1 338.496 1.364 20 0 EDADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000348208337 445316379 /nfs/dbraw/zinc/31/63/79/445316379.db2.gz DFVZIVMKPKUYCG-INIZCTEOSA-N 2 1 340.537 1.409 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000348208337 445316382 /nfs/dbraw/zinc/31/63/82/445316382.db2.gz DFVZIVMKPKUYCG-INIZCTEOSA-N 2 1 340.537 1.409 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000354676167 445335909 /nfs/dbraw/zinc/33/59/09/445335909.db2.gz NWJQKDVSDGEBMM-ZACQAIPSSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000351862201 445346409 /nfs/dbraw/zinc/34/64/09/445346409.db2.gz OLZHMSQNUBWEGH-LXZKKBNFSA-N 2 1 335.423 1.395 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000351862201 445346411 /nfs/dbraw/zinc/34/64/11/445346411.db2.gz OLZHMSQNUBWEGH-LXZKKBNFSA-N 2 1 335.423 1.395 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N(C)C[C@@H]1C[C@@H](OC)C[N@H+]1C ZINC000348705299 445349485 /nfs/dbraw/zinc/34/94/85/445349485.db2.gz RKBPHVSSEXWPSR-LSDHHAIUSA-N 2 1 331.526 1.239 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000362494366 445410522 /nfs/dbraw/zinc/41/05/22/445410522.db2.gz KFNOUFDQEOEGDW-DOTOQJQBSA-N 2 1 342.553 1.701 20 0 EDADMP C[C@@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000348870927 445424936 /nfs/dbraw/zinc/42/49/36/445424936.db2.gz GKKFGKCVVKPVRW-KRWDZBQOSA-N 2 1 344.503 1.187 20 0 EDADMP C[C@H]1C[N@H+](C)CCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000348877083 445426744 /nfs/dbraw/zinc/42/67/44/445426744.db2.gz FJCWESMDWGMIFO-SFHVURJKSA-N 2 1 344.503 1.751 20 0 EDADMP C[C@H]1C[N@@H+](C)CCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000348877083 445426749 /nfs/dbraw/zinc/42/67/49/445426749.db2.gz FJCWESMDWGMIFO-SFHVURJKSA-N 2 1 344.503 1.751 20 0 EDADMP COC[C@@]1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000357252671 445508993 /nfs/dbraw/zinc/50/89/93/445508993.db2.gz AXINCNPGEGKGGL-HKUYNNGSSA-N 2 1 349.450 1.675 20 0 EDADMP COC[C@@]1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000357252671 445508997 /nfs/dbraw/zinc/50/89/97/445508997.db2.gz AXINCNPGEGKGGL-HKUYNNGSSA-N 2 1 349.450 1.675 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000359996307 445519749 /nfs/dbraw/zinc/51/97/49/445519749.db2.gz WDGBMAXIGXLNQZ-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000359996307 445519751 /nfs/dbraw/zinc/51/97/51/445519751.db2.gz WDGBMAXIGXLNQZ-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP COCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359996307 445519756 /nfs/dbraw/zinc/51/97/56/445519756.db2.gz WDGBMAXIGXLNQZ-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000352369304 445523686 /nfs/dbraw/zinc/52/36/86/445523686.db2.gz ORZJYHILDVEMNX-MRXNPFEDSA-N 2 1 333.480 1.972 20 0 EDADMP CC[N@@H+](C)CCNC(=O)NC[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000362758120 445535356 /nfs/dbraw/zinc/53/53/56/445535356.db2.gz IUQSBKKQUDIGTM-QGZVFWFLSA-N 2 1 333.480 1.545 20 0 EDADMP CC[NH+](C)CCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000362758120 445535358 /nfs/dbraw/zinc/53/53/58/445535358.db2.gz IUQSBKKQUDIGTM-QGZVFWFLSA-N 2 1 333.480 1.545 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000357220868 445490440 /nfs/dbraw/zinc/49/04/40/445490440.db2.gz AFGHTFWJWUXXNE-CRAIPNDOSA-N 2 1 333.476 1.668 20 0 EDADMP [NH3+]C1CCN(CCCC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000357235687 445497716 /nfs/dbraw/zinc/49/77/16/445497716.db2.gz DMJUEPWBFLNQKU-GOSISDBHSA-N 2 1 330.476 1.193 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357235139 445497750 /nfs/dbraw/zinc/49/77/50/445497750.db2.gz VMUSZFKTCUAJCS-ZBFHGGJFSA-N 2 1 349.479 1.029 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357235139 445497755 /nfs/dbraw/zinc/49/77/55/445497755.db2.gz VMUSZFKTCUAJCS-ZBFHGGJFSA-N 2 1 349.479 1.029 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C[N@@H+]1C1CC1 ZINC000357880404 445589426 /nfs/dbraw/zinc/58/94/26/445589426.db2.gz JQXSSUBVFKXFQF-KCYZZUKISA-N 2 1 336.480 1.116 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C[N@H+]1C1CC1 ZINC000357880404 445589428 /nfs/dbraw/zinc/58/94/28/445589428.db2.gz JQXSSUBVFKXFQF-KCYZZUKISA-N 2 1 336.480 1.116 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000349594419 445621415 /nfs/dbraw/zinc/62/14/15/445621415.db2.gz ABJSLDXNDJNVAP-UHFFFAOYSA-N 2 1 336.484 1.504 20 0 EDADMP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358504731 445623636 /nfs/dbraw/zinc/62/36/36/445623636.db2.gz HWNDLPUBKHIVIS-UHFFFAOYSA-N 2 1 344.459 1.402 20 0 EDADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000349648364 445634018 /nfs/dbraw/zinc/63/40/18/445634018.db2.gz ZDQCSGPUIUYNSA-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000357983803 445597624 /nfs/dbraw/zinc/59/76/24/445597624.db2.gz IYKMFMUODWPCFE-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000363014889 445650584 /nfs/dbraw/zinc/65/05/84/445650584.db2.gz QHBMRQQGAITHHN-BBWFWOEESA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CC([NH+](C)Cc3ccccc3)C2)CC[N@H+]1C ZINC000353710478 445719288 /nfs/dbraw/zinc/71/92/88/445719288.db2.gz NUYOZYRIDJCPOA-RDJZCZTQSA-N 2 1 330.476 1.995 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CC[NH+]1C ZINC000353710478 445719291 /nfs/dbraw/zinc/71/92/91/445719291.db2.gz NUYOZYRIDJCPOA-RDJZCZTQSA-N 2 1 330.476 1.995 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CC[NH+]1C ZINC000353710478 445719293 /nfs/dbraw/zinc/71/92/93/445719293.db2.gz NUYOZYRIDJCPOA-RDJZCZTQSA-N 2 1 330.476 1.995 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2CCN(Cc3cccc(O)c3)CC2)CC[N@H+]1C ZINC000353688937 445707785 /nfs/dbraw/zinc/70/77/85/445707785.db2.gz BGDKBQBGVHYIHN-RDJZCZTQSA-N 2 1 331.460 1.767 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000353695792 445712454 /nfs/dbraw/zinc/71/24/54/445712454.db2.gz VOFJCPACGADNDV-UHFFFAOYSA-N 2 1 331.420 1.954 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)[NH+]1CCOCC1 ZINC000353695400 445712944 /nfs/dbraw/zinc/71/29/44/445712944.db2.gz SAIYRNFXGTZKNO-ULQDDVLXSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1CCOCC1 ZINC000353695400 445712949 /nfs/dbraw/zinc/71/29/49/445712949.db2.gz SAIYRNFXGTZKNO-ULQDDVLXSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)N3CCCCC3)CC2)C[C@H](C)O1 ZINC000363073962 445668366 /nfs/dbraw/zinc/66/83/66/445668366.db2.gz GGTDQJDPSVBAFK-CALCHBBNSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000350118022 445773116 /nfs/dbraw/zinc/77/31/16/445773116.db2.gz OSGGCZOMHPRMMB-BBWFWOEESA-N 2 1 340.512 1.659 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000350118022 445773121 /nfs/dbraw/zinc/77/31/21/445773121.db2.gz OSGGCZOMHPRMMB-BBWFWOEESA-N 2 1 340.512 1.659 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000349933633 445725580 /nfs/dbraw/zinc/72/55/80/445725580.db2.gz LUBIPIHZNORTBK-JYJNAYRXSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000349933633 445725583 /nfs/dbraw/zinc/72/55/83/445725583.db2.gz LUBIPIHZNORTBK-JYJNAYRXSA-N 2 1 326.485 1.127 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000349933633 445725586 /nfs/dbraw/zinc/72/55/86/445725586.db2.gz LUBIPIHZNORTBK-JYJNAYRXSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N(C)C[C@@H]2CC[NH+](C)C2)C[C@H](C)O1 ZINC000356306662 445727783 /nfs/dbraw/zinc/72/77/83/445727783.db2.gz VHFUTNALMZPAEY-OWCLPIDISA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)C[C@H](C)O1 ZINC000356306662 445727791 /nfs/dbraw/zinc/72/77/91/445727791.db2.gz VHFUTNALMZPAEY-OWCLPIDISA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000356306662 445727795 /nfs/dbraw/zinc/72/77/95/445727795.db2.gz VHFUTNALMZPAEY-OWCLPIDISA-N 2 1 326.485 1.079 20 0 EDADMP C[C@H](CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000350068438 445760925 /nfs/dbraw/zinc/76/09/25/445760925.db2.gz DMVYJZTWRMNBLJ-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@H](CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000350068438 445760930 /nfs/dbraw/zinc/76/09/30/445760930.db2.gz DMVYJZTWRMNBLJ-ZACQAIPSSA-N 2 1 340.512 1.517 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000363323689 445766105 /nfs/dbraw/zinc/76/61/05/445766105.db2.gz CAQUBJDAMIESMV-ROUUACIJSA-N 2 1 336.524 1.395 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000363323689 445766108 /nfs/dbraw/zinc/76/61/08/445766108.db2.gz CAQUBJDAMIESMV-ROUUACIJSA-N 2 1 336.524 1.395 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000363323689 445766110 /nfs/dbraw/zinc/76/61/10/445766110.db2.gz CAQUBJDAMIESMV-ROUUACIJSA-N 2 1 336.524 1.395 20 0 EDADMP Cc1nn(C)c(Cl)c1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000363478795 445822193 /nfs/dbraw/zinc/82/21/93/445822193.db2.gz NCKAVQDVDSHPDZ-UHFFFAOYSA-N 2 1 339.915 1.841 20 0 EDADMP O=C(NCCC[NH2+]C1CCCCC1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363390965 445785297 /nfs/dbraw/zinc/78/52/97/445785297.db2.gz XXQUBXTYOTZNPN-SJORKVTESA-N 2 1 338.496 1.461 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000350204862 445792655 /nfs/dbraw/zinc/79/26/55/445792655.db2.gz GDXHKTWQTGLSGT-IXDOHACOSA-N 2 1 341.496 1.103 20 0 EDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)C1 ZINC000358941126 445858175 /nfs/dbraw/zinc/85/81/75/445858175.db2.gz XVOYKZSUGYYQTA-GJZGRUSLSA-N 2 1 339.505 1.943 20 0 EDADMP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000356669406 445927198 /nfs/dbraw/zinc/92/71/98/445927198.db2.gz DBQMQLOMRJLBAB-UZLBHIALSA-N 2 1 347.503 1.863 20 0 EDADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000361731116 445903621 /nfs/dbraw/zinc/90/36/21/445903621.db2.gz FKYFORHZXPTAOO-INIZCTEOSA-N 2 1 340.512 1.349 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000361743080 445909977 /nfs/dbraw/zinc/90/99/77/445909977.db2.gz BWMBIMHSHCFGRI-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CCCc2[nH+]ccn21 ZINC000354188916 445984143 /nfs/dbraw/zinc/98/41/43/445984143.db2.gz KTPJEKVQACBYQK-INIZCTEOSA-N 2 1 346.475 1.912 20 0 EDADMP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000369210205 445996296 /nfs/dbraw/zinc/99/62/96/445996296.db2.gz UONDFEFEVFINTR-GOSISDBHSA-N 2 1 333.476 1.688 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCO[C@@H]3CCCCO3)C2)CC1 ZINC000373119480 446043343 /nfs/dbraw/zinc/04/33/43/446043343.db2.gz ZAALHAGIASLYEE-QZTJIDSGSA-N 2 1 325.497 1.489 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000356778512 446009513 /nfs/dbraw/zinc/00/95/13/446009513.db2.gz QNGQZNPSBCGJAQ-HZPDHXFCSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000356778512 446009519 /nfs/dbraw/zinc/00/95/19/446009519.db2.gz QNGQZNPSBCGJAQ-HZPDHXFCSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@@H](O)C[NH+](C)C1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000356778512 446009525 /nfs/dbraw/zinc/00/95/25/446009525.db2.gz QNGQZNPSBCGJAQ-HZPDHXFCSA-N 2 1 325.497 1.555 20 0 EDADMP [NH3+]CCCCC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000583261111 326037021 /nfs/dbraw/zinc/03/70/21/326037021.db2.gz UNIDQECIELSSMY-UHFFFAOYSA-N 2 1 325.375 1.229 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000359223916 446053590 /nfs/dbraw/zinc/05/35/90/446053590.db2.gz KSLFKUBHLPVGDB-INIZCTEOSA-N 2 1 346.475 1.663 20 0 EDADMP COCC1(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC000583430303 326070882 /nfs/dbraw/zinc/07/08/82/326070882.db2.gz HHTQQDBTEFWZPR-HNNXBMFYSA-N 2 1 338.496 1.319 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000369302444 446058874 /nfs/dbraw/zinc/05/88/74/446058874.db2.gz JUOKVTCBLBRHSA-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000369302444 446058879 /nfs/dbraw/zinc/05/88/79/446058879.db2.gz JUOKVTCBLBRHSA-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369302444 446058883 /nfs/dbraw/zinc/05/88/83/446058883.db2.gz JUOKVTCBLBRHSA-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369302444 446058887 /nfs/dbraw/zinc/05/88/87/446058887.db2.gz JUOKVTCBLBRHSA-HZPDHXFCSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000369304026 446059592 /nfs/dbraw/zinc/05/95/92/446059592.db2.gz WOCRYYLMGRGDOC-YYIAUSFCSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000369304026 446059597 /nfs/dbraw/zinc/05/95/97/446059597.db2.gz WOCRYYLMGRGDOC-YYIAUSFCSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000369304026 446059603 /nfs/dbraw/zinc/05/96/03/446059603.db2.gz WOCRYYLMGRGDOC-YYIAUSFCSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000369304026 446059608 /nfs/dbraw/zinc/05/96/08/446059608.db2.gz WOCRYYLMGRGDOC-YYIAUSFCSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCCOC1 ZINC000356839653 446060067 /nfs/dbraw/zinc/06/00/67/446060067.db2.gz JASKVVMLMQZBFF-LPHOPBHVSA-N 2 1 345.487 1.979 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000373154705 446061852 /nfs/dbraw/zinc/06/18/52/446061852.db2.gz UPTGTPPSIZEFAF-LJQANCHMSA-N 2 1 345.487 1.739 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000373154705 446061858 /nfs/dbraw/zinc/06/18/58/446061858.db2.gz UPTGTPPSIZEFAF-LJQANCHMSA-N 2 1 345.487 1.739 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000584221521 326222166 /nfs/dbraw/zinc/22/21/66/326222166.db2.gz PYVKSIXYYUNKLI-RYRKJORJSA-N 2 1 336.480 1.025 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCCOC1 ZINC000356839649 446060567 /nfs/dbraw/zinc/06/05/67/446060567.db2.gz JASKVVMLMQZBFF-APWZRJJASA-N 2 1 345.487 1.979 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)C1 ZINC000366173250 446060660 /nfs/dbraw/zinc/06/06/60/446060660.db2.gz LWQOUFZJYPCXAJ-PBHICJAKSA-N 2 1 333.432 1.063 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)C1 ZINC000366173250 446060668 /nfs/dbraw/zinc/06/06/68/446060668.db2.gz LWQOUFZJYPCXAJ-PBHICJAKSA-N 2 1 333.432 1.063 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000351481319 446082162 /nfs/dbraw/zinc/08/21/62/446082162.db2.gz XHCQFWIMIPPQPU-JYJNAYRXSA-N 2 1 347.459 1.331 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000351481319 446082168 /nfs/dbraw/zinc/08/21/68/446082168.db2.gz XHCQFWIMIPPQPU-JYJNAYRXSA-N 2 1 347.459 1.331 20 0 EDADMP COc1cncc(N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)n1 ZINC000361955097 446104238 /nfs/dbraw/zinc/10/42/38/446104238.db2.gz JPBSGBBEFXEOHC-UHFFFAOYSA-N 2 1 330.436 1.593 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000359269579 446107209 /nfs/dbraw/zinc/10/72/09/446107209.db2.gz YWTCOHWUNYYAKD-ARFHVFGLSA-N 2 1 340.512 1.212 20 0 EDADMP COc1cc(C[C@H](CO)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1 ZINC000361964792 446113125 /nfs/dbraw/zinc/11/31/25/446113125.db2.gz CHYNSYNOVLLQIB-BHYGNILZSA-N 2 1 336.476 1.927 20 0 EDADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC000356923693 446128575 /nfs/dbraw/zinc/12/85/75/446128575.db2.gz ZCPNUUMOVBIJTA-HZPDHXFCSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC000356923693 446128580 /nfs/dbraw/zinc/12/85/80/446128580.db2.gz ZCPNUUMOVBIJTA-HZPDHXFCSA-N 2 1 325.497 1.412 20 0 EDADMP COc1ccc(OCC[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000365348861 446161916 /nfs/dbraw/zinc/16/19/16/446161916.db2.gz LQYLLYBXJWRLLS-QGZVFWFLSA-N 2 1 333.476 1.786 20 0 EDADMP COc1ccc(OCC[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000365348861 446161923 /nfs/dbraw/zinc/16/19/23/446161923.db2.gz LQYLLYBXJWRLLS-QGZVFWFLSA-N 2 1 333.476 1.786 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369665544 446144553 /nfs/dbraw/zinc/14/45/53/446144553.db2.gz SYJYVHZVSNTEHW-GDBMZVCRSA-N 2 1 346.479 1.850 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000366321997 446149148 /nfs/dbraw/zinc/14/91/48/446149148.db2.gz HYIJBZACALQYOY-SJORKVTESA-N 3 1 336.524 1.426 20 0 EDADMP O=C(COc1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCC1CC1 ZINC000359472871 446244388 /nfs/dbraw/zinc/24/43/88/446244388.db2.gz MOUFHNGOQRAQQX-IRXDYDNUSA-N 2 1 329.444 1.243 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000370290516 446216010 /nfs/dbraw/zinc/21/60/10/446216010.db2.gz VQBFBHFYPAVOMJ-DLBZAZTESA-N 2 1 343.537 1.466 20 0 EDADMP CS(=O)(=O)N1CC[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000370290516 446216017 /nfs/dbraw/zinc/21/60/17/446216017.db2.gz VQBFBHFYPAVOMJ-DLBZAZTESA-N 2 1 343.537 1.466 20 0 EDADMP CCC[N@H+]1CCCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC000365483089 446227108 /nfs/dbraw/zinc/22/71/08/446227108.db2.gz JBPMSGZOGZCJOK-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CCC[NH+]1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000365483089 446227111 /nfs/dbraw/zinc/22/71/11/446227111.db2.gz JBPMSGZOGZCJOK-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CCC[NH+]1CCCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000365483089 446227115 /nfs/dbraw/zinc/22/71/15/446227115.db2.gz JBPMSGZOGZCJOK-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP COc1ccccc1CCNC(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366498541 446238640 /nfs/dbraw/zinc/23/86/40/446238640.db2.gz UFAHUJWOVGHCOY-IBGZPJMESA-N 2 1 331.460 1.382 20 0 EDADMP COCC1(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CC[NH2+]CC1 ZINC000373516580 446245992 /nfs/dbraw/zinc/24/59/92/446245992.db2.gz SJBXKEMKGKDART-UHFFFAOYSA-N 2 1 346.475 1.491 20 0 EDADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000366590884 446272481 /nfs/dbraw/zinc/27/24/81/446272481.db2.gz SMGUUQHPEQBFBL-QZTJIDSGSA-N 2 1 331.460 1.659 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000417666960 446369365 /nfs/dbraw/zinc/36/93/65/446369365.db2.gz FGUXHURVKJXVSV-BBWFWOEESA-N 2 1 340.512 1.422 20 0 EDADMP CC(C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@@H](Oc3ccncc3)C2)C1=O ZINC000370649131 446372109 /nfs/dbraw/zinc/37/21/09/446372109.db2.gz WZIOVJUUPJXZMV-HZPDHXFCSA-N 2 1 331.416 1.708 20 0 EDADMP CC(C)CCN1C(=O)C[C@@H]([N@H+]2CC[C@@H](Oc3ccncc3)C2)C1=O ZINC000370649131 446372111 /nfs/dbraw/zinc/37/21/11/446372111.db2.gz WZIOVJUUPJXZMV-HZPDHXFCSA-N 2 1 331.416 1.708 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000366830858 446372530 /nfs/dbraw/zinc/37/25/30/446372530.db2.gz SSIZRWLYFGXZOY-ROUUACIJSA-N 2 1 337.508 1.699 20 0 EDADMP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000366830858 446372531 /nfs/dbraw/zinc/37/25/31/446372531.db2.gz SSIZRWLYFGXZOY-ROUUACIJSA-N 2 1 337.508 1.699 20 0 EDADMP COCCC[N@H+](C)CCN[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000370679028 446383224 /nfs/dbraw/zinc/38/32/24/446383224.db2.gz JFPJFJJUSONQBY-ICSRJNTNSA-N 2 1 349.519 1.834 20 0 EDADMP COCCC[N@@H+](C)CCN[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000370679028 446383230 /nfs/dbraw/zinc/38/32/30/446383230.db2.gz JFPJFJJUSONQBY-ICSRJNTNSA-N 2 1 349.519 1.834 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000417994637 446409843 /nfs/dbraw/zinc/40/98/43/446409843.db2.gz OYLSWFGILRYUKM-ZWKOTPCHSA-N 2 1 346.475 1.147 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000418015183 446416251 /nfs/dbraw/zinc/41/62/51/446416251.db2.gz PPVSHBQCZIFOTJ-UBDQQSCGSA-N 2 1 330.476 1.934 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(NCCC[C@@H]2CCC[NH2+]2)n1 ZINC000420289530 446454350 /nfs/dbraw/zinc/45/43/50/446454350.db2.gz TWGVBRLOHNTSHQ-BQFCYCMXSA-N 2 1 347.507 1.880 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000418192230 446455310 /nfs/dbraw/zinc/45/53/10/446455310.db2.gz MDJKYQSSUJZHTJ-OQIJWPOYSA-N 2 1 342.487 1.900 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000418199088 446455621 /nfs/dbraw/zinc/45/56/21/446455621.db2.gz MUFBNYWLAZRKQK-HZPDHXFCSA-N 2 1 340.512 1.504 20 0 EDADMP CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420295211 446458275 /nfs/dbraw/zinc/45/82/75/446458275.db2.gz BWSFDHBEBKZJSF-SJORKVTESA-N 2 1 333.476 1.976 20 0 EDADMP C[NH2+]CCCNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418278394 446481033 /nfs/dbraw/zinc/48/10/33/446481033.db2.gz LPASTPQIVPTJPT-GASCZTMLSA-N 2 1 326.485 1.127 20 0 EDADMP CCn1ccnc1C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420303316 446466205 /nfs/dbraw/zinc/46/62/05/446466205.db2.gz CUEOIMKEEITJLG-DLBZAZTESA-N 3 1 331.508 1.847 20 0 EDADMP CCn1ccnc1CN(CC[C@@H]1CC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420303316 446466215 /nfs/dbraw/zinc/46/62/15/446466215.db2.gz CUEOIMKEEITJLG-DLBZAZTESA-N 2 1 331.508 1.847 20 0 EDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423262380 446469362 /nfs/dbraw/zinc/46/93/62/446469362.db2.gz MHACLBFFKINRJM-ZFWWWQNUSA-N 2 1 327.494 1.961 20 0 EDADMP CC[C@]1(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC[NH2+]C1 ZINC000370844624 446476654 /nfs/dbraw/zinc/47/66/54/446476654.db2.gz WDCUSIOZJWWNMB-SCTDSRPQSA-N 2 1 336.524 1.393 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423300677 446477607 /nfs/dbraw/zinc/47/76/07/446477607.db2.gz DVFNNANVDUDGSW-HUUCEWRRSA-N 2 1 333.480 1.871 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420323793 446489246 /nfs/dbraw/zinc/48/92/46/446489246.db2.gz AASWOLOVGNPJBU-MELADBBJSA-N 2 1 331.416 1.674 20 0 EDADMP C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324188 446490709 /nfs/dbraw/zinc/49/07/09/446490709.db2.gz GXLBFXXVWMJRLH-WMZOPIPTSA-N 2 1 345.487 1.421 20 0 EDADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCc2sccc2C1 ZINC000420334733 446504867 /nfs/dbraw/zinc/50/48/67/446504867.db2.gz LCIBGNFUDQLLEG-GASCZTMLSA-N 2 1 333.501 1.954 20 0 EDADMP C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339893 446509667 /nfs/dbraw/zinc/50/96/67/446509667.db2.gz ZHKBGLXRCYXRJH-RDJZCZTQSA-N 2 1 343.471 1.652 20 0 EDADMP C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339893 446509672 /nfs/dbraw/zinc/50/96/72/446509672.db2.gz ZHKBGLXRCYXRJH-RDJZCZTQSA-N 2 1 343.471 1.652 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@H+]1C[C@H](C)O ZINC000418356020 446511951 /nfs/dbraw/zinc/51/19/51/446511951.db2.gz GGAOAKANBGROSK-UAGQMJEPSA-N 2 1 340.512 1.381 20 0 EDADMP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367138714 446513946 /nfs/dbraw/zinc/51/39/46/446513946.db2.gz HRWXDZRLNRMINL-INIZCTEOSA-N 2 1 331.526 1.514 20 0 EDADMP CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367138714 446513953 /nfs/dbraw/zinc/51/39/53/446513953.db2.gz HRWXDZRLNRMINL-INIZCTEOSA-N 2 1 331.526 1.514 20 0 EDADMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000420385032 446560488 /nfs/dbraw/zinc/56/04/88/446560488.db2.gz GHISOBMQFLIXGQ-UHFFFAOYSA-N 2 1 332.448 1.683 20 0 EDADMP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346890 446520540 /nfs/dbraw/zinc/52/05/40/446520540.db2.gz ZJVUGFAQCKLUNN-DLBZAZTESA-N 2 1 345.487 1.975 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)[C@H](C)C1 ZINC000423407015 446522001 /nfs/dbraw/zinc/52/20/01/446522001.db2.gz LNGBNBITXKAQSD-MSOLQXFVSA-N 3 1 341.540 1.729 20 0 EDADMP CCOCCCN1CC[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)[C@H](C)C1 ZINC000423407015 446522006 /nfs/dbraw/zinc/52/20/06/446522006.db2.gz LNGBNBITXKAQSD-MSOLQXFVSA-N 2 1 341.540 1.729 20 0 EDADMP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347789 446523127 /nfs/dbraw/zinc/52/31/27/446523127.db2.gz ILWDTQNOHAYPFZ-RTBURBONSA-N 2 1 344.503 1.576 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1Cc1ccccc1 ZINC000418405253 446532634 /nfs/dbraw/zinc/53/26/34/446532634.db2.gz DKHPPGRJGURGIH-SWDXFRIISA-N 2 1 342.487 1.838 20 0 EDADMP C[N@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1Cc1ccccc1 ZINC000418405253 446532638 /nfs/dbraw/zinc/53/26/38/446532638.db2.gz DKHPPGRJGURGIH-SWDXFRIISA-N 2 1 342.487 1.838 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000418419147 446538593 /nfs/dbraw/zinc/53/85/93/446538593.db2.gz ZAGCSHSCCXKZPP-IRXDYDNUSA-N 3 1 341.544 1.417 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420356914 446538734 /nfs/dbraw/zinc/53/87/34/446538734.db2.gz HDGUOOCRZFQUQK-OYSTVDSJSA-N 2 1 346.471 1.723 20 0 EDADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420356914 446538741 /nfs/dbraw/zinc/53/87/41/446538741.db2.gz HDGUOOCRZFQUQK-OYSTVDSJSA-N 2 1 346.471 1.723 20 0 EDADMP CS(=O)(=O)c1cccc(OCC[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000420360393 446541718 /nfs/dbraw/zinc/54/17/18/446541718.db2.gz GYFBDNGKVFYAKH-KRWDZBQOSA-N 2 1 340.489 1.966 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000375057659 446551607 /nfs/dbraw/zinc/55/16/07/446551607.db2.gz GUMOQMCUWXGTSQ-ULQDDVLXSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000375057659 446551617 /nfs/dbraw/zinc/55/16/17/446551617.db2.gz GUMOQMCUWXGTSQ-ULQDDVLXSA-N 2 1 338.496 1.079 20 0 EDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423498753 446555484 /nfs/dbraw/zinc/55/54/84/446555484.db2.gz BYLDSVIUYMZPSN-HZPDHXFCSA-N 2 1 338.293 1.800 20 0 EDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423504240 446556140 /nfs/dbraw/zinc/55/61/40/446556140.db2.gz FUINAGMYEUNOMZ-UONOGXRCSA-N 2 1 338.293 1.800 20 0 EDADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418622573 446620427 /nfs/dbraw/zinc/62/04/27/446620427.db2.gz VBNFIKOVHGXELL-QILLFSRXSA-N 2 1 347.507 1.979 20 0 EDADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418622573 446620435 /nfs/dbraw/zinc/62/04/35/446620435.db2.gz VBNFIKOVHGXELL-QILLFSRXSA-N 2 1 347.507 1.979 20 0 EDADMP [NH3+]C1(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CCC1 ZINC000418507246 446571215 /nfs/dbraw/zinc/57/12/15/446571215.db2.gz IMUCIWJHNOIOBS-IRXDYDNUSA-N 2 1 346.475 1.050 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418547048 446589756 /nfs/dbraw/zinc/58/97/56/446589756.db2.gz IREJEYCTICFQIT-CEXWTWQISA-N 2 1 342.487 1.902 20 0 EDADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420417265 446591456 /nfs/dbraw/zinc/59/14/56/446591456.db2.gz WEFLFODVLWJQKN-FRRDWIJNSA-N 2 1 336.411 1.779 20 0 EDADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420417265 446591463 /nfs/dbraw/zinc/59/14/63/446591463.db2.gz WEFLFODVLWJQKN-FRRDWIJNSA-N 2 1 336.411 1.779 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000418554301 446591887 /nfs/dbraw/zinc/59/18/87/446591887.db2.gz CWWDNBXZGBSHHS-KBAYOESNSA-N 2 1 330.476 1.553 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000418554301 446591891 /nfs/dbraw/zinc/59/18/91/446591891.db2.gz CWWDNBXZGBSHHS-KBAYOESNSA-N 2 1 330.476 1.553 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H]1CC ZINC000418566179 446596964 /nfs/dbraw/zinc/59/69/64/446596964.db2.gz AECYZGRBBFVIRS-OAGGEKHMSA-N 2 1 326.485 1.399 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000418566910 446598263 /nfs/dbraw/zinc/59/82/63/446598263.db2.gz GFSIELCLHQKUPD-RYRKJORJSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000418566910 446598270 /nfs/dbraw/zinc/59/82/70/446598270.db2.gz GFSIELCLHQKUPD-RYRKJORJSA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376636169 446619625 /nfs/dbraw/zinc/61/96/25/446619625.db2.gz FCIIBYVWPKSMAH-FUHWJXTLSA-N 2 1 345.487 1.916 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376636169 446619628 /nfs/dbraw/zinc/61/96/28/446619628.db2.gz FCIIBYVWPKSMAH-FUHWJXTLSA-N 2 1 345.487 1.916 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3ccncc3)C2)CC1 ZINC000411729623 446660212 /nfs/dbraw/zinc/66/02/12/446660212.db2.gz MZPZJDSRFZPDKA-KRWDZBQOSA-N 2 1 330.476 1.862 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3ccncc3)C2)CC1 ZINC000411729623 446660221 /nfs/dbraw/zinc/66/02/21/446660221.db2.gz MZPZJDSRFZPDKA-KRWDZBQOSA-N 2 1 330.476 1.862 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418737787 446662799 /nfs/dbraw/zinc/66/27/99/446662799.db2.gz WCIAULPDGMBTCZ-RDJZCZTQSA-N 2 1 333.480 1.815 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCNCC3(F)F)CC[C@@H]21 ZINC000418748338 446668073 /nfs/dbraw/zinc/66/80/73/446668073.db2.gz BDOUGFVAEDZQMX-RDBSUJKOSA-N 2 1 330.423 1.357 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000423739752 446671613 /nfs/dbraw/zinc/67/16/13/446671613.db2.gz HXIQTAFHTIVINX-ZWKOTPCHSA-N 2 1 336.524 1.395 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]([C@@H](C)CO)C2CCCC2)CC1 ZINC000411610045 446625841 /nfs/dbraw/zinc/62/58/41/446625841.db2.gz XPNQUOZIGDXBHO-HNNXBMFYSA-N 2 1 325.497 1.601 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418644947 446630047 /nfs/dbraw/zinc/63/00/47/446630047.db2.gz VOBNHTZCRGXJLG-KYJSFNMBSA-N 2 1 328.460 1.752 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)cc2F)CC1 ZINC000368179057 446689253 /nfs/dbraw/zinc/68/92/53/446689253.db2.gz MBYZOUGYCYSGSU-MAUKXSAKSA-N 2 1 346.450 1.402 20 0 EDADMP C[C@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000423762949 446690544 /nfs/dbraw/zinc/69/05/44/446690544.db2.gz PATGNUUDUKWIHR-DFGXFYAUSA-N 2 1 333.476 1.890 20 0 EDADMP C[C@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000423762949 446690553 /nfs/dbraw/zinc/69/05/53/446690553.db2.gz PATGNUUDUKWIHR-DFGXFYAUSA-N 2 1 333.476 1.890 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)[N@@H+]1CCc2sccc2C1 ZINC000376749750 446695888 /nfs/dbraw/zinc/69/58/88/446695888.db2.gz IJEFMMMRHALGSK-AWEZNQCLSA-N 2 1 348.516 1.984 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)[N@H+]1CCc2sccc2C1 ZINC000376749750 446695893 /nfs/dbraw/zinc/69/58/93/446695893.db2.gz IJEFMMMRHALGSK-AWEZNQCLSA-N 2 1 348.516 1.984 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000423770653 446696418 /nfs/dbraw/zinc/69/64/18/446696418.db2.gz DNKULUPOSFKBBY-KBAYOESNSA-N 2 1 331.460 1.392 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)C3([NH3+])CCC3)CC[N@H+]2C2CC2)c1 ZINC000423828603 446717316 /nfs/dbraw/zinc/71/73/16/446717316.db2.gz OHKHVXSHEDXRCK-DLBZAZTESA-N 2 1 329.444 1.971 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)[nH+]c1 ZINC000368245934 446737091 /nfs/dbraw/zinc/73/70/91/446737091.db2.gz ZZDGMKDUEDTHPI-SJORKVTESA-N 2 1 328.460 1.674 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC2)cn1 ZINC000423748120 446678484 /nfs/dbraw/zinc/67/84/84/446678484.db2.gz AFAXVZRQXPLWJO-WBVHZDCISA-N 2 1 335.496 1.557 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC2)cn1 ZINC000423748120 446678491 /nfs/dbraw/zinc/67/84/91/446678491.db2.gz AFAXVZRQXPLWJO-WBVHZDCISA-N 2 1 335.496 1.557 20 0 EDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000423749972 446680321 /nfs/dbraw/zinc/68/03/21/446680321.db2.gz WXALBOUHDILAGN-IAGOWNOFSA-N 2 1 334.508 1.005 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)CC3(C[NH3+])CC3)CC2)cn1 ZINC000423753799 446683724 /nfs/dbraw/zinc/68/37/24/446683724.db2.gz HIWHMPYGZVYQSG-UHFFFAOYSA-N 2 1 333.480 1.456 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)CC3(C[NH3+])CC3)CC2)cn1 ZINC000423753799 446683733 /nfs/dbraw/zinc/68/37/33/446683733.db2.gz HIWHMPYGZVYQSG-UHFFFAOYSA-N 2 1 333.480 1.456 20 0 EDADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1(C)C ZINC000423903625 446753883 /nfs/dbraw/zinc/75/38/83/446753883.db2.gz NFKTVBRMDYCTPD-REGYPHIPSA-N 2 1 349.519 1.994 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000423914458 446763867 /nfs/dbraw/zinc/76/38/67/446763867.db2.gz XXEWJPJOOIYHES-LZWOXQAQSA-N 2 1 331.464 1.433 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000368293821 446765398 /nfs/dbraw/zinc/76/53/98/446765398.db2.gz LRWAHWCLYFULBD-UHFFFAOYSA-N 2 1 335.496 1.573 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000368293821 446765406 /nfs/dbraw/zinc/76/54/06/446765406.db2.gz LRWAHWCLYFULBD-UHFFFAOYSA-N 2 1 335.496 1.573 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000368293821 446765409 /nfs/dbraw/zinc/76/54/09/446765409.db2.gz LRWAHWCLYFULBD-UHFFFAOYSA-N 2 1 335.496 1.573 20 0 EDADMP CCC[NH+](CC)CCNC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000368293821 446765418 /nfs/dbraw/zinc/76/54/18/446765418.db2.gz LRWAHWCLYFULBD-UHFFFAOYSA-N 2 1 335.496 1.573 20 0 EDADMP OC[C@H]1CCCC[NH+](CC2(C[N@@H+]3CCCC[C@H](CO)C3)COC2)C1 ZINC000376876126 446770497 /nfs/dbraw/zinc/77/04/97/446770497.db2.gz LXMSEJDHKPAUES-ROUUACIJSA-N 2 1 340.508 1.192 20 0 EDADMP CN(C)c1nc(N)nc(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000371329263 446778412 /nfs/dbraw/zinc/77/84/12/446778412.db2.gz GNCGMOGLWPASEC-CYBMUJFWSA-N 2 1 345.495 1.216 20 0 EDADMP CN(C)c1nc(N)nc(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000371329263 446778413 /nfs/dbraw/zinc/77/84/13/446778413.db2.gz GNCGMOGLWPASEC-CYBMUJFWSA-N 2 1 345.495 1.216 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)C1([NH3+])CCCCC1 ZINC000423929794 446780387 /nfs/dbraw/zinc/78/03/87/446780387.db2.gz JAXMCDKPVNQUFC-DOTOQJQBSA-N 2 1 347.507 1.923 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])CCC[N@H+]1C ZINC000423932229 446784002 /nfs/dbraw/zinc/78/40/02/446784002.db2.gz NSGXMCPGBVAPQN-YYAJDYIMSA-N 2 1 347.507 1.827 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CC(C)(C)C1 ZINC000412030116 446793504 /nfs/dbraw/zinc/79/35/04/446793504.db2.gz DOEXHAMOXKIVSK-KRWDZBQOSA-N 2 1 339.524 1.970 20 0 EDADMP CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CC(C)(C)C1 ZINC000412030116 446793510 /nfs/dbraw/zinc/79/35/10/446793510.db2.gz DOEXHAMOXKIVSK-KRWDZBQOSA-N 2 1 339.524 1.970 20 0 EDADMP CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CC(C)(C)C1 ZINC000412030116 446793515 /nfs/dbraw/zinc/79/35/15/446793515.db2.gz DOEXHAMOXKIVSK-KRWDZBQOSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000424018698 446825199 /nfs/dbraw/zinc/82/51/99/446825199.db2.gz QNRZBDGOZGXINR-PKOBYXMFSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[NH+]2CCc3ccccc3C2)C[C@H](C)[N@@H+]1C ZINC000454206833 446806549 /nfs/dbraw/zinc/80/65/49/446806549.db2.gz FNPVVTOYBGFEPT-IYBDPMFKSA-N 2 1 330.476 1.779 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[C@H](C)[NH+]1C ZINC000454206833 446806555 /nfs/dbraw/zinc/80/65/55/446806555.db2.gz FNPVVTOYBGFEPT-IYBDPMFKSA-N 2 1 330.476 1.779 20 0 EDADMP C[C@@H]1CN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@H](C)[NH+]1C ZINC000454206833 446806560 /nfs/dbraw/zinc/80/65/60/446806560.db2.gz FNPVVTOYBGFEPT-IYBDPMFKSA-N 2 1 330.476 1.779 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000377032481 446872641 /nfs/dbraw/zinc/87/26/41/446872641.db2.gz RBKXUFWLKSNGPT-QRVBRYPASA-N 2 1 335.540 1.172 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000442763203 446955839 /nfs/dbraw/zinc/95/58/39/446955839.db2.gz AUZBRNUPYKTPNA-HZPDHXFCSA-N 2 1 341.459 1.217 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000442763203 446955843 /nfs/dbraw/zinc/95/58/43/446955843.db2.gz AUZBRNUPYKTPNA-HZPDHXFCSA-N 2 1 341.459 1.217 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000442770584 446961186 /nfs/dbraw/zinc/96/11/86/446961186.db2.gz YEMFLFFEGBQLBH-DOTOQJQBSA-N 2 1 341.459 1.200 20 0 EDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000442770584 446961189 /nfs/dbraw/zinc/96/11/89/446961189.db2.gz YEMFLFFEGBQLBH-DOTOQJQBSA-N 2 1 341.459 1.200 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000442779395 446966205 /nfs/dbraw/zinc/96/62/05/446966205.db2.gz MFVRGKBHSBLACP-CABCVRRESA-N 2 1 335.448 1.249 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000442779395 446966207 /nfs/dbraw/zinc/96/62/07/446966207.db2.gz MFVRGKBHSBLACP-CABCVRRESA-N 2 1 335.448 1.249 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2CO)CC1 ZINC000442882019 446987462 /nfs/dbraw/zinc/98/74/62/446987462.db2.gz CELGAPNXCVMEFE-LMMKCTJWSA-N 2 1 345.487 1.595 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H]2CO)CC1 ZINC000442882019 446987467 /nfs/dbraw/zinc/98/74/67/446987467.db2.gz CELGAPNXCVMEFE-LMMKCTJWSA-N 2 1 345.487 1.595 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000377200534 446989002 /nfs/dbraw/zinc/98/90/02/446989002.db2.gz YSWBTXHEQVFQBM-HMQMGEFJSA-N 3 1 334.508 1.192 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000377200534 446989005 /nfs/dbraw/zinc/98/90/05/446989005.db2.gz YSWBTXHEQVFQBM-HMQMGEFJSA-N 3 1 334.508 1.192 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419176442 446992653 /nfs/dbraw/zinc/99/26/53/446992653.db2.gz ZEFDUYFWJJMINS-BZUAXINKSA-N 2 1 338.496 1.014 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375760149 447027426 /nfs/dbraw/zinc/02/74/26/447027426.db2.gz SKJYBFSBQJDFNF-BBWFWOEESA-N 2 1 339.480 1.840 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375760149 447027429 /nfs/dbraw/zinc/02/74/29/447027429.db2.gz SKJYBFSBQJDFNF-BBWFWOEESA-N 2 1 339.480 1.840 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375760149 447027433 /nfs/dbraw/zinc/02/74/33/447027433.db2.gz SKJYBFSBQJDFNF-BBWFWOEESA-N 2 1 339.480 1.840 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375760149 447027437 /nfs/dbraw/zinc/02/74/37/447027437.db2.gz SKJYBFSBQJDFNF-BBWFWOEESA-N 2 1 339.480 1.840 20 0 EDADMP CCNC(=O)CC[N@@H+](C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000372529066 447113785 /nfs/dbraw/zinc/11/37/85/447113785.db2.gz CUFKSKSJCZHKLA-MAUKXSAKSA-N 2 1 335.496 1.651 20 0 EDADMP NS(=O)(=O)CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377336329 447073788 /nfs/dbraw/zinc/07/37/88/447073788.db2.gz KEAGSRIGFXIXBR-IRXDYDNUSA-N 2 1 337.489 1.119 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CC[NH2+]1 ZINC000444183076 447090895 /nfs/dbraw/zinc/09/08/95/447090895.db2.gz MFFKKYONPQCYHA-ZIAGYGMSSA-N 2 1 327.350 1.758 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000375908132 447138742 /nfs/dbraw/zinc/13/87/42/447138742.db2.gz VFXLCWPSOOAPIU-WOJBJXKFSA-N 2 1 331.504 1.994 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000413321557 447140748 /nfs/dbraw/zinc/14/07/48/447140748.db2.gz GGYHORACEGLYKQ-KRWDZBQOSA-N 2 1 330.476 1.479 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(=O)NC)C2)CC1 ZINC000421379126 447144499 /nfs/dbraw/zinc/14/44/99/447144499.db2.gz ITHOHCQNZOQDKF-GOSISDBHSA-N 2 1 344.503 1.787 20 0 EDADMP COc1cc2[nH+]c(NCCCC[N@H+](C)C3CC3)nc(N)c2cc1OC ZINC000413345253 447154231 /nfs/dbraw/zinc/15/42/31/447154231.db2.gz FJVVGZYRGMSYNH-UHFFFAOYSA-N 2 1 345.447 1.937 20 0 EDADMP COc1cc2[nH+]c(NCCCC[N@@H+](C)C3CC3)nc(N)c2cc1OC ZINC000413345253 447154235 /nfs/dbraw/zinc/15/42/35/447154235.db2.gz FJVVGZYRGMSYNH-UHFFFAOYSA-N 2 1 345.447 1.937 20 0 EDADMP CNC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375902918 447134011 /nfs/dbraw/zinc/13/40/11/447134011.db2.gz GXHPYCWSVYMRHT-IBGZPJMESA-N 2 1 344.503 1.647 20 0 EDADMP CCC[NH+](CCC)CCCNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419437505 447175556 /nfs/dbraw/zinc/17/55/56/447175556.db2.gz GEOHVACYBWVGRC-IAGOWNOFSA-N 2 1 342.528 1.595 20 0 EDADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cn2cc[nH+]c12 ZINC000455614845 447185824 /nfs/dbraw/zinc/18/58/24/447185824.db2.gz HIAJRYKFZIBPLX-HNNXBMFYSA-N 2 1 331.420 1.611 20 0 EDADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)cn2cc[nH+]c12 ZINC000455614845 447185829 /nfs/dbraw/zinc/18/58/29/447185829.db2.gz HIAJRYKFZIBPLX-HNNXBMFYSA-N 2 1 331.420 1.611 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376026455 447217737 /nfs/dbraw/zinc/21/77/37/447217737.db2.gz AKWQWGOFGUDEDD-INIZCTEOSA-N 2 1 348.495 1.954 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](CO)(C(C)C)C2)CC1 ZINC000377647015 447269189 /nfs/dbraw/zinc/26/91/89/447269189.db2.gz FAIFIVZMZQOLTQ-SFHVURJKSA-N 2 1 325.497 1.316 20 0 EDADMP COC[C@]1(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000379981851 447455657 /nfs/dbraw/zinc/45/56/57/447455657.db2.gz PRVVKRUTGJNSPA-MJGOQNOKSA-N 2 1 331.460 1.345 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000458707004 447457793 /nfs/dbraw/zinc/45/77/93/447457793.db2.gz OFQVCOQKYOAOHG-IAGOWNOFSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1CCCO)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000458707004 447457799 /nfs/dbraw/zinc/45/77/99/447457799.db2.gz OFQVCOQKYOAOHG-IAGOWNOFSA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1CCCO)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000458707004 447457803 /nfs/dbraw/zinc/45/78/03/447457803.db2.gz OFQVCOQKYOAOHG-IAGOWNOFSA-N 2 1 338.496 1.149 20 0 EDADMP C[N@H+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C2(CCCCC2)C1 ZINC000494884291 447461447 /nfs/dbraw/zinc/46/14/47/447461447.db2.gz XIDUEVYDCGYACB-UHFFFAOYSA-N 2 1 348.535 1.680 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000389925535 447489283 /nfs/dbraw/zinc/48/92/83/447489283.db2.gz VUCSWTZZSFNLSP-OCCSQVGLSA-N 2 1 330.457 1.852 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000389925535 447489286 /nfs/dbraw/zinc/48/92/86/447489286.db2.gz VUCSWTZZSFNLSP-OCCSQVGLSA-N 2 1 330.457 1.852 20 0 EDADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000495381610 447499368 /nfs/dbraw/zinc/49/93/68/447499368.db2.gz BNKIXEGKISYXRV-IIDMSEBBSA-N 2 1 341.496 1.821 20 0 EDADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000495381610 447499377 /nfs/dbraw/zinc/49/93/77/447499377.db2.gz BNKIXEGKISYXRV-IIDMSEBBSA-N 2 1 341.496 1.821 20 0 EDADMP O[C@H](CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(F)(F)F ZINC000390890779 447504369 /nfs/dbraw/zinc/50/43/69/447504369.db2.gz ZBAHHWHJRATRES-HUUCEWRRSA-N 2 1 332.366 1.790 20 0 EDADMP O[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)C(F)(F)F ZINC000390890779 447504374 /nfs/dbraw/zinc/50/43/74/447504374.db2.gz ZBAHHWHJRATRES-HUUCEWRRSA-N 2 1 332.366 1.790 20 0 EDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000390895999 447504660 /nfs/dbraw/zinc/50/46/60/447504660.db2.gz KFSDPUFGPAKSTN-MSOLQXFVSA-N 2 1 331.460 1.393 20 0 EDADMP [NH3+][C@H](CC(F)F)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000391038726 447509908 /nfs/dbraw/zinc/50/99/08/447509908.db2.gz ZTLGSFUESDTYHW-LSDHHAIUSA-N 2 1 341.402 1.376 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000426927139 447517457 /nfs/dbraw/zinc/51/74/57/447517457.db2.gz SKZJLPPSZPRDTG-NXHRZFHOSA-N 2 1 334.508 1.098 20 0 EDADMP COCCOC[C@@H](O)C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000450786365 447576703 /nfs/dbraw/zinc/57/67/03/447576703.db2.gz PTAUXFVIZIVMPS-HOTGVXAUSA-N 2 1 337.464 1.341 20 0 EDADMP COCCOC[C@@H](O)C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000450786365 447576708 /nfs/dbraw/zinc/57/67/08/447576708.db2.gz PTAUXFVIZIVMPS-HOTGVXAUSA-N 2 1 337.464 1.341 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000427305192 447578744 /nfs/dbraw/zinc/57/87/44/447578744.db2.gz RBZHNJPARCEPKS-GOEBONIOSA-N 2 1 344.459 1.322 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000427322982 447581027 /nfs/dbraw/zinc/58/10/27/447581027.db2.gz VQUCFWMYFPTDHW-FUHWJXTLSA-N 2 1 333.476 1.812 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000395760572 447541230 /nfs/dbraw/zinc/54/12/30/447541230.db2.gz KWGWOZMLGCDPOP-IRXDYDNUSA-N 2 1 333.480 1.080 20 0 EDADMP COc1cccc2c(N3CCC[C@H](C(=O)NCC[NH3+])C3)cc(C)[nH+]c12 ZINC000420168285 447651547 /nfs/dbraw/zinc/65/15/47/447651547.db2.gz KAEQQPFFWKGDGK-AWEZNQCLSA-N 2 1 342.443 1.843 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])C(=O)OC ZINC000404323027 447599391 /nfs/dbraw/zinc/59/93/91/447599391.db2.gz SBBILMXRWKBXHY-NHIYQJMISA-N 2 1 327.469 1.140 20 0 EDADMP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])C(=O)OC ZINC000404323027 447599397 /nfs/dbraw/zinc/59/93/97/447599397.db2.gz SBBILMXRWKBXHY-NHIYQJMISA-N 2 1 327.469 1.140 20 0 EDADMP CN1CC[NH+](CC2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)CC1 ZINC000427466983 447601967 /nfs/dbraw/zinc/60/19/67/447601967.db2.gz YFSGAFIHACJUNZ-SFHVURJKSA-N 2 1 348.535 1.489 20 0 EDADMP C[C@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1CC(C)(C)O ZINC000459165224 447603548 /nfs/dbraw/zinc/60/35/48/447603548.db2.gz RWQMKZZDOVHRMK-HNNXBMFYSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H]1CN(C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1CC(C)(C)O ZINC000459165224 447603551 /nfs/dbraw/zinc/60/35/51/447603551.db2.gz RWQMKZZDOVHRMK-HNNXBMFYSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@H]1CN(C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1CC(C)(C)O ZINC000459165224 447603553 /nfs/dbraw/zinc/60/35/53/447603553.db2.gz RWQMKZZDOVHRMK-HNNXBMFYSA-N 2 1 340.512 1.347 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](CN2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC000495885205 447617634 /nfs/dbraw/zinc/61/76/34/447617634.db2.gz LEMVSYRGSCXMFL-JKSUJKDBSA-N 2 1 341.496 1.944 20 0 EDADMP Cc1ccc(NCCCNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)[nH+]c1 ZINC000457737126 447624446 /nfs/dbraw/zinc/62/44/46/447624446.db2.gz PONGPFDDSWIADC-INIZCTEOSA-N 2 1 333.480 2.316 20 0 EDADMP Cc1ccc(NCCCNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)[nH+]c1 ZINC000457737126 447624450 /nfs/dbraw/zinc/62/44/50/447624450.db2.gz PONGPFDDSWIADC-INIZCTEOSA-N 2 1 333.480 2.316 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000408126973 447632145 /nfs/dbraw/zinc/63/21/45/447632145.db2.gz UBOXQOYCWBIVCC-GDBMZVCRSA-N 2 1 331.526 1.366 20 0 EDADMP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000408126973 447632148 /nfs/dbraw/zinc/63/21/48/447632148.db2.gz UBOXQOYCWBIVCC-GDBMZVCRSA-N 2 1 331.526 1.366 20 0 EDADMP C[NH2+]CCC1CCN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000416871151 447700507 /nfs/dbraw/zinc/70/05/07/447700507.db2.gz PCNTXINMSJZWOJ-QGZVFWFLSA-N 2 1 340.512 1.374 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416922316 447710117 /nfs/dbraw/zinc/71/01/17/447710117.db2.gz OVDWKMZNNKOZHC-ZNMIVQPWSA-N 2 1 326.485 1.268 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416922316 447710121 /nfs/dbraw/zinc/71/01/21/447710121.db2.gz OVDWKMZNNKOZHC-ZNMIVQPWSA-N 2 1 326.485 1.268 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416937789 447715903 /nfs/dbraw/zinc/71/59/03/447715903.db2.gz JQLJXZIULGJBLW-INIZCTEOSA-N 2 1 340.512 1.422 20 0 EDADMP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000416946132 447721236 /nfs/dbraw/zinc/72/12/36/447721236.db2.gz XDJTVLZWLONJFN-DLBZAZTESA-N 2 1 340.512 1.517 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416955295 447725606 /nfs/dbraw/zinc/72/56/06/447725606.db2.gz MECBKTVKUANTOR-HOCLYGCPSA-N 2 1 326.485 1.114 20 0 EDADMP CC(C)(CNC(=O)NCC(F)(F)CN)[N@H+]1CCc2ccccc2C1 ZINC000417090263 447735165 /nfs/dbraw/zinc/73/51/65/447735165.db2.gz VKHMDEZOIGHQBD-UHFFFAOYSA-N 2 1 340.418 1.717 20 0 EDADMP CC(C)(CNC(=O)NCC(F)(F)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000417090263 447735170 /nfs/dbraw/zinc/73/51/70/447735170.db2.gz VKHMDEZOIGHQBD-UHFFFAOYSA-N 2 1 340.418 1.717 20 0 EDADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417269019 447740997 /nfs/dbraw/zinc/74/09/97/447740997.db2.gz LVGFZKOHAJRRAB-SFHVURJKSA-N 2 1 348.516 1.891 20 0 EDADMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417269019 447741002 /nfs/dbraw/zinc/74/10/02/447741002.db2.gz LVGFZKOHAJRRAB-SFHVURJKSA-N 2 1 348.516 1.891 20 0 EDADMP c1cnc(N2CCOCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422822752 447759598 /nfs/dbraw/zinc/75/95/98/447759598.db2.gz BPQGJCGSVWYIRN-KZNAEPCWSA-N 2 1 330.476 1.929 20 0 EDADMP CCOCCNC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471845844 447815500 /nfs/dbraw/zinc/81/55/00/447815500.db2.gz MCVIFIGMLIYREK-MOPGFXCFSA-N 2 1 347.503 1.811 20 0 EDADMP CCOCCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471845844 447815503 /nfs/dbraw/zinc/81/55/03/447815503.db2.gz MCVIFIGMLIYREK-MOPGFXCFSA-N 2 1 347.503 1.811 20 0 EDADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000458333251 447771667 /nfs/dbraw/zinc/77/16/67/447771667.db2.gz AVXVKGOYTNQAOD-BRWVUGGUSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000430547689 447776140 /nfs/dbraw/zinc/77/61/40/447776140.db2.gz FWNFVCORQKMPTO-HUUCEWRRSA-N 2 1 340.489 1.918 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000430547689 447776143 /nfs/dbraw/zinc/77/61/43/447776143.db2.gz FWNFVCORQKMPTO-HUUCEWRRSA-N 2 1 340.489 1.918 20 0 EDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000496423102 447777832 /nfs/dbraw/zinc/77/78/32/447777832.db2.gz DUTVVKZRXFZJTJ-INIZCTEOSA-N 2 1 343.512 1.926 20 0 EDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000430579234 447781811 /nfs/dbraw/zinc/78/18/11/447781811.db2.gz BVWHNDFYNPERGC-JTQLQIEISA-N 2 1 326.363 1.070 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C[C@H]3C[NH2+]CCO3)c2)C[C@@H](C)O1 ZINC000430798188 447786393 /nfs/dbraw/zinc/78/63/93/447786393.db2.gz HGEMBWFAULTECD-RKVPGOIHSA-N 2 1 347.459 1.613 20 0 EDADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000423033489 447795264 /nfs/dbraw/zinc/79/52/64/447795264.db2.gz OMHFKYZYMDSDIK-KNTRFNDTSA-N 3 1 347.503 1.485 20 0 EDADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCOCC1 ZINC000423114769 447808454 /nfs/dbraw/zinc/80/84/54/447808454.db2.gz WHPHPYMVHUJJMU-BARDWOONSA-N 2 1 335.414 1.760 20 0 EDADMP CN(CCOc1ccccc1)CN1C[C@]2(CN3CCC2CC3)OC1=O ZINC000496617596 447833661 /nfs/dbraw/zinc/83/36/61/447833661.db2.gz MSODMUYIXAFYGI-IBGZPJMESA-N 2 1 345.443 1.871 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000496644064 447839960 /nfs/dbraw/zinc/83/99/60/447839960.db2.gz LAETZSNNBRJZBH-OAHLLOKOSA-N 2 1 329.485 1.630 20 0 EDADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000496728586 447860966 /nfs/dbraw/zinc/86/09/66/447860966.db2.gz VRSCHMWEVFNHFA-QZTJIDSGSA-N 2 1 341.496 1.680 20 0 EDADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000496728586 447860972 /nfs/dbraw/zinc/86/09/72/447860972.db2.gz VRSCHMWEVFNHFA-QZTJIDSGSA-N 2 1 341.496 1.680 20 0 EDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000496728586 447860977 /nfs/dbraw/zinc/86/09/77/447860977.db2.gz VRSCHMWEVFNHFA-QZTJIDSGSA-N 2 1 341.496 1.680 20 0 EDADMP CS[C@@H]1CN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1[NH+]1CCCC1 ZINC000487089011 447827184 /nfs/dbraw/zinc/82/71/84/447827184.db2.gz VKTMDMUWCFPKBP-XUWVNRHRSA-N 2 1 325.522 1.897 20 0 EDADMP CC[NH+]1CCC(NC(=O)CN2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000523448030 447888091 /nfs/dbraw/zinc/88/80/91/447888091.db2.gz HLZFZYDBDBUPKU-UHFFFAOYSA-N 2 1 336.524 1.537 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000496761529 447890645 /nfs/dbraw/zinc/89/06/45/447890645.db2.gz WWUQMRHXKGHEBQ-CABCVRRESA-N 2 1 341.496 1.819 20 0 EDADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H]1c1cccs1 ZINC000575862091 447914710 /nfs/dbraw/zinc/91/47/10/447914710.db2.gz SOMJDULUOOORNK-INMHGKMJSA-N 2 1 334.489 1.978 20 0 EDADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H]1c1cccs1 ZINC000575862091 447914714 /nfs/dbraw/zinc/91/47/14/447914714.db2.gz SOMJDULUOOORNK-INMHGKMJSA-N 2 1 334.489 1.978 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000525369747 447997390 /nfs/dbraw/zinc/99/73/90/447997390.db2.gz FZIFGELUAAZGSV-RDJZCZTQSA-N 2 1 325.497 1.626 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)C[NH+]1CCC2CC1 ZINC000496885718 448001844 /nfs/dbraw/zinc/00/18/44/448001844.db2.gz RRSMAAZDOVKKPD-MJQMVNBJSA-N 2 1 349.475 1.486 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000553792740 448006084 /nfs/dbraw/zinc/00/60/84/448006084.db2.gz YYOODJNUMQOPLA-ARFHVFGLSA-N 2 1 333.476 1.976 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1(CCO)CC[NH+](C)CC1 ZINC000570411453 448008773 /nfs/dbraw/zinc/00/87/73/448008773.db2.gz ORAHNSBKLPRHHW-IEBWSBKVSA-N 2 1 331.504 1.943 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496891958 448009051 /nfs/dbraw/zinc/00/90/51/448009051.db2.gz OYGSFTCJCQDWPZ-MRXNPFEDSA-N 2 1 339.480 1.598 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496891958 448009053 /nfs/dbraw/zinc/00/90/53/448009053.db2.gz OYGSFTCJCQDWPZ-MRXNPFEDSA-N 2 1 339.480 1.598 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000576091992 447968767 /nfs/dbraw/zinc/96/87/67/447968767.db2.gz OGRADVYLXPXPJN-CVEARBPZSA-N 2 1 340.512 1.565 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCOC[C@H]3CCCO3)C2)CC1 ZINC000525173064 447972569 /nfs/dbraw/zinc/97/25/69/447972569.db2.gz YUWFSYJBFPRFLP-ZWKOTPCHSA-N 2 1 325.497 1.282 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](CC[NH3+])C(F)F)CC2)cs1 ZINC000576282731 448018488 /nfs/dbraw/zinc/01/84/88/448018488.db2.gz QUHYXSOYMKIJGF-ZDUSSCGKSA-N 2 1 346.447 1.762 20 0 EDADMP CC(C)(C)OC(=O)NCCNC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000497278567 448032537 /nfs/dbraw/zinc/03/25/37/448032537.db2.gz MCNHOPZBYMGLBY-GFCCVEGCSA-N 2 1 325.457 1.109 20 0 EDADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)(C)C)CC1)C(C)(C)C ZINC000576462182 448060491 /nfs/dbraw/zinc/06/04/91/448060491.db2.gz PDQAUFLBQMUDNO-UHFFFAOYSA-N 2 1 340.512 1.118 20 0 EDADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000526041167 448085761 /nfs/dbraw/zinc/08/57/61/448085761.db2.gz WJPGDEUNZUZNED-GJZGRUSLSA-N 2 1 339.505 1.943 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[NH+]2CCC1CC2 ZINC000526067461 448093084 /nfs/dbraw/zinc/09/30/84/448093084.db2.gz MSUCOAOAFRGPDW-KRWDZBQOSA-N 2 1 328.460 1.600 20 0 EDADMP CCC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000502481129 448101779 /nfs/dbraw/zinc/10/17/79/448101779.db2.gz KAAGGGRQDLOTKT-BHYGNILZSA-N 2 1 335.496 1.650 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000531695792 448128657 /nfs/dbraw/zinc/12/86/57/448128657.db2.gz XBAKOCBALDZYCM-UNEWFSDZSA-N 2 1 347.459 1.241 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000571303873 448134607 /nfs/dbraw/zinc/13/46/07/448134607.db2.gz BZBSJBNOLRANRQ-NXHRZFHOSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497034032 448142931 /nfs/dbraw/zinc/14/29/31/448142931.db2.gz JHYZGCDQPDCNPQ-AWEZNQCLSA-N 2 1 341.496 1.942 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000527058621 448150015 /nfs/dbraw/zinc/15/00/15/448150015.db2.gz MVMRIKGRNVBPCA-LJQANCHMSA-N 2 1 333.476 1.424 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000571618261 448179398 /nfs/dbraw/zinc/17/93/98/448179398.db2.gz XQVFWLCGSIAVEX-VVLHAWIVSA-N 2 1 338.496 1.269 20 0 EDADMP CC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H](C)O ZINC000514679950 448185943 /nfs/dbraw/zinc/18/59/43/448185943.db2.gz SOQXLHATQINLQA-PBHICJAKSA-N 2 1 325.497 1.458 20 0 EDADMP CC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H](C)O ZINC000514679951 448186373 /nfs/dbraw/zinc/18/63/73/448186373.db2.gz SOQXLHATQINLQA-RHSMWYFYSA-N 2 1 325.497 1.458 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(n4ccnc4)C3)CC2)CC1 ZINC000514738983 448197840 /nfs/dbraw/zinc/19/78/40/448197840.db2.gz VQOUNOWODZQIGK-UHFFFAOYSA-N 2 1 345.491 1.463 20 0 EDADMP C[C@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000492608747 448237732 /nfs/dbraw/zinc/23/77/32/448237732.db2.gz MGUWEWBBTMLPTK-OAHLLOKOSA-N 2 1 342.528 1.857 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCCC[C@H]1CCC[NH2+]1 ZINC000515059197 448251809 /nfs/dbraw/zinc/25/18/09/448251809.db2.gz FDQXQXCXAYAVNR-MOPGFXCFSA-N 2 1 345.487 1.926 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCC[C@H]1CCC[NH2+]1 ZINC000515059197 448251814 /nfs/dbraw/zinc/25/18/14/448251814.db2.gz FDQXQXCXAYAVNR-MOPGFXCFSA-N 2 1 345.487 1.926 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000527543380 448257211 /nfs/dbraw/zinc/25/72/11/448257211.db2.gz WTTWQHLWNAYJET-IEBWSBKVSA-N 2 1 345.487 1.748 20 0 EDADMP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000527543380 448257217 /nfs/dbraw/zinc/25/72/17/448257217.db2.gz WTTWQHLWNAYJET-IEBWSBKVSA-N 2 1 345.487 1.748 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000527543380 448257221 /nfs/dbraw/zinc/25/72/21/448257221.db2.gz WTTWQHLWNAYJET-IEBWSBKVSA-N 2 1 345.487 1.748 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000527543380 448257227 /nfs/dbraw/zinc/25/72/27/448257227.db2.gz WTTWQHLWNAYJET-IEBWSBKVSA-N 2 1 345.487 1.748 20 0 EDADMP CCn1cc(C[N@@H+]2CCCN(C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000515144881 448266142 /nfs/dbraw/zinc/26/61/42/448266142.db2.gz QXXBJDPRPSTOSE-INIZCTEOSA-N 2 1 348.495 1.120 20 0 EDADMP CCn1cc(C[N@H+]2CCCN(C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000515144881 448266149 /nfs/dbraw/zinc/26/61/49/448266149.db2.gz QXXBJDPRPSTOSE-INIZCTEOSA-N 2 1 348.495 1.120 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000492721140 448266763 /nfs/dbraw/zinc/26/67/63/448266763.db2.gz CAXDOFOLNMSGLV-RKVPGOIHSA-N 2 1 341.496 1.869 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000492721140 448266768 /nfs/dbraw/zinc/26/67/68/448266768.db2.gz CAXDOFOLNMSGLV-RKVPGOIHSA-N 2 1 341.496 1.869 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000515466975 448316775 /nfs/dbraw/zinc/31/67/75/448316775.db2.gz IHVRDWMIQZCQJR-MRXNPFEDSA-N 2 1 327.432 1.809 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000515466974 448316846 /nfs/dbraw/zinc/31/68/46/448316846.db2.gz IHVRDWMIQZCQJR-INIZCTEOSA-N 2 1 327.432 1.809 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000515234463 448279731 /nfs/dbraw/zinc/27/97/31/448279731.db2.gz KSEREHZUGBTYCA-IRXDYDNUSA-N 2 1 325.497 1.460 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000515234463 448279738 /nfs/dbraw/zinc/27/97/38/448279738.db2.gz KSEREHZUGBTYCA-IRXDYDNUSA-N 2 1 325.497 1.460 20 0 EDADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000527558984 448284573 /nfs/dbraw/zinc/28/45/73/448284573.db2.gz YMJBTKKETQUHMG-SZVBFZGTSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccccc3)C2)O1 ZINC000527558984 448284579 /nfs/dbraw/zinc/28/45/79/448284579.db2.gz YMJBTKKETQUHMG-SZVBFZGTSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccccc3)C2)O1 ZINC000527558984 448284584 /nfs/dbraw/zinc/28/45/84/448284584.db2.gz YMJBTKKETQUHMG-SZVBFZGTSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000527558984 448284594 /nfs/dbraw/zinc/28/45/94/448284594.db2.gz YMJBTKKETQUHMG-SZVBFZGTSA-N 2 1 331.460 1.486 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000582661051 448303261 /nfs/dbraw/zinc/30/32/61/448303261.db2.gz OIEHGKDEIYIGSY-SJLPKXTDSA-N 2 1 336.476 1.894 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000582797591 448344872 /nfs/dbraw/zinc/34/48/72/448344872.db2.gz VHRKXHBNQPMRNQ-QZTJIDSGSA-N 2 1 330.476 1.682 20 0 EDADMP COc1cccc([C@H]2[C@H](NC(=O)C3(C)C[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000582899207 448372060 /nfs/dbraw/zinc/37/20/60/448372060.db2.gz GMZLRYVAIHSNGB-SJORKVTESA-N 2 1 329.444 1.699 20 0 EDADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000516025522 448370785 /nfs/dbraw/zinc/37/07/85/448370785.db2.gz HATMYXGAUPGBOQ-KBAYOESNSA-N 2 1 330.476 1.948 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000533390047 448396642 /nfs/dbraw/zinc/39/66/42/448396642.db2.gz URRUPTUMUGPMAD-HZPDHXFCSA-N 2 1 340.427 1.709 20 0 EDADMP O=C(CN1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000533390047 448396647 /nfs/dbraw/zinc/39/66/47/448396647.db2.gz URRUPTUMUGPMAD-HZPDHXFCSA-N 2 1 340.427 1.709 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CCOC)C12CCCCC2 ZINC000577861677 448405991 /nfs/dbraw/zinc/40/59/91/448405991.db2.gz JQAQCLSDGQKVKQ-IXDOHACOSA-N 2 1 328.497 1.643 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)C12CCCCC2 ZINC000577861677 448405996 /nfs/dbraw/zinc/40/59/96/448405996.db2.gz JQAQCLSDGQKVKQ-IXDOHACOSA-N 2 1 328.497 1.643 20 0 EDADMP COc1ccccc1[C@H](CO)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000572750594 448455877 /nfs/dbraw/zinc/45/58/77/448455877.db2.gz FBRCYJFHDTYKGP-KRWDZBQOSA-N 2 1 347.459 1.061 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CC34CCOCC4)CC2)CC1 ZINC000578082706 448459160 /nfs/dbraw/zinc/45/91/60/448459160.db2.gz ZIYXAROTIOXRRN-SFHVURJKSA-N 2 1 349.519 1.868 20 0 EDADMP C[NH2+]C[C@](C)(O)CN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000572847798 448479619 /nfs/dbraw/zinc/47/96/19/448479619.db2.gz RSVKPXTULJBCSA-NUJGCVRESA-N 2 1 327.513 1.168 20 0 EDADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2conc2C(C)(C)[NH3+])cc1 ZINC000566469826 448485633 /nfs/dbraw/zinc/48/56/33/448485633.db2.gz IJDOCRUMYRIXDI-UHFFFAOYSA-N 2 1 345.403 1.621 20 0 EDADMP O=C(CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)Nc1cccc(F)c1 ZINC000578240151 448496834 /nfs/dbraw/zinc/49/68/34/448496834.db2.gz JJOWHMJEGBILBG-UHFFFAOYSA-N 2 1 349.450 1.981 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3cc(C)no3)CC2)CC1 ZINC000578521031 448568027 /nfs/dbraw/zinc/56/80/27/448568027.db2.gz KMLVSPYPMQSIJU-UHFFFAOYSA-N 2 1 348.491 1.838 20 0 EDADMP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000578546799 448577734 /nfs/dbraw/zinc/57/77/34/448577734.db2.gz PLJJWZAROFRMHZ-QGZVFWFLSA-N 2 1 331.460 1.081 20 0 EDADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000578417221 448538622 /nfs/dbraw/zinc/53/86/22/448538622.db2.gz PQOSBUSEZMPJFR-LSDHHAIUSA-N 2 1 336.432 1.571 20 0 EDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000578417221 448538627 /nfs/dbraw/zinc/53/86/27/448538627.db2.gz PQOSBUSEZMPJFR-LSDHHAIUSA-N 2 1 336.432 1.571 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNc2cc(N3CC[C@@H]([C@H](C)O)C3)ncn2)C1 ZINC000584516509 448552895 /nfs/dbraw/zinc/55/28/95/448552895.db2.gz VIZSQOXWFIKVLZ-ARFHVFGLSA-N 2 1 333.480 1.826 20 0 EDADMP O[C@H](CNc1ccc(CC[NH+]2CCCCC2)cc1)C[NH+]1CCOCC1 ZINC000584716701 448606290 /nfs/dbraw/zinc/60/62/90/448606290.db2.gz LVYUJFSGZZHUNN-HXUWFJFHSA-N 2 1 347.503 1.820 20 0 EDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCCN2CCN(c3ncccn3)CC2)C1 ZINC000573267050 448585249 /nfs/dbraw/zinc/58/52/49/448585249.db2.gz YJGUYUHEMWSTQC-DLBZAZTESA-N 2 1 332.496 1.238 20 0 EDADMP CC[C@@H](NC(=O)N(C)CCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573308574 448592754 /nfs/dbraw/zinc/59/27/54/448592754.db2.gz WBBPMUREJKNAOR-MSOLQXFVSA-N 2 1 348.491 1.656 20 0 EDADMP CC[C@@H](NC(=O)N(C)CCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573308574 448592761 /nfs/dbraw/zinc/59/27/61/448592761.db2.gz WBBPMUREJKNAOR-MSOLQXFVSA-N 2 1 348.491 1.656 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCC[C@H]([NH3+])C3)CC2)cn1 ZINC000578625072 448596163 /nfs/dbraw/zinc/59/61/63/448596163.db2.gz MVARRBWNHWUJIB-RDJZCZTQSA-N 2 1 348.495 1.155 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCC[C@H]([NH3+])C3)CC2)cn1 ZINC000578625072 448596169 /nfs/dbraw/zinc/59/61/69/448596169.db2.gz MVARRBWNHWUJIB-RDJZCZTQSA-N 2 1 348.495 1.155 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(C3CC3)on2)CC1 ZINC000517651957 448601709 /nfs/dbraw/zinc/60/17/09/448601709.db2.gz VKLPQJIKNBVMKC-UHFFFAOYSA-N 2 1 327.388 1.951 20 0 EDADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCc3ccccc3NC2=O)CC12CCOCC2 ZINC000584840361 448651443 /nfs/dbraw/zinc/65/14/43/448651443.db2.gz ZYHFDOSNAZYIEU-DOTOQJQBSA-N 2 1 329.444 1.627 20 0 EDADMP C[C@]1(CNC(=O)NCC[N@H+]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000518343209 448666935 /nfs/dbraw/zinc/66/69/35/448666935.db2.gz KBAULSPHZOINLH-IBGZPJMESA-N 2 1 330.476 1.734 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H](N)c2ccccc2OC)CC[N@H+]1CCOC ZINC000578991463 448687644 /nfs/dbraw/zinc/68/76/44/448687644.db2.gz CDXWMTQAVFVFRV-YJBOKZPZSA-N 2 1 349.475 1.654 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H](N)c2ccccc2OC)CCN1CCOC ZINC000578991463 448687650 /nfs/dbraw/zinc/68/76/50/448687650.db2.gz CDXWMTQAVFVFRV-YJBOKZPZSA-N 2 1 349.475 1.654 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000578988738 448688011 /nfs/dbraw/zinc/68/80/11/448688011.db2.gz OADYHFYLYWCIQD-LSDHHAIUSA-N 2 1 340.512 1.199 20 0 EDADMP COC(=O)[C@@H]1C[NH+]([C@H](C)CC[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129623 448699370 /nfs/dbraw/zinc/69/93/70/448699370.db2.gz KUDHTKODIRJLAV-OXGONZEZSA-N 2 1 340.464 1.247 20 0 EDADMP COC(=O)[C@@H]1C[NH+](CC[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129623 448699372 /nfs/dbraw/zinc/69/93/72/448699372.db2.gz KUDHTKODIRJLAV-OXGONZEZSA-N 2 1 340.464 1.247 20 0 EDADMP COC(=O)[C@@H]1C[NH+](CC[C@@H](C)[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129623 448699376 /nfs/dbraw/zinc/69/93/76/448699376.db2.gz KUDHTKODIRJLAV-OXGONZEZSA-N 2 1 340.464 1.247 20 0 EDADMP C[C@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CCC[NH2+]1 ZINC000518775632 448709369 /nfs/dbraw/zinc/70/93/69/448709369.db2.gz SYLLGTAZWILVCZ-HNAYVOBHSA-N 2 1 344.459 1.465 20 0 EDADMP C[C@H](O)C[C@H]1CCCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000579100542 448713760 /nfs/dbraw/zinc/71/37/60/448713760.db2.gz FFUYGJSVLCJSQB-MAUKXSAKSA-N 2 1 337.508 1.745 20 0 EDADMP CN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000579134633 448724700 /nfs/dbraw/zinc/72/47/00/448724700.db2.gz ZDHNDTMDGNRJHS-MSOLQXFVSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000518979998 448728598 /nfs/dbraw/zinc/72/85/98/448728598.db2.gz YVHPFAGTXJMBNS-JYJNAYRXSA-N 2 1 348.491 1.255 20 0 EDADMP Cc1ccc(NCCCNC(=O)CCN(C)c2cc[nH+]cc2)[nH+]c1 ZINC000543713712 448744561 /nfs/dbraw/zinc/74/45/61/448744561.db2.gz JOUGQVGVWQAKJH-UHFFFAOYSA-N 2 1 327.432 2.230 20 0 EDADMP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1cc[nH+]cc1C(N)=O ZINC000519195244 448751565 /nfs/dbraw/zinc/75/15/65/448751565.db2.gz KVGVJWMHNYPGHA-SUMWQHHRSA-N 2 1 342.447 1.433 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)c1cc[nH+]cc1C(N)=O ZINC000519195244 448751570 /nfs/dbraw/zinc/75/15/70/448751570.db2.gz KVGVJWMHNYPGHA-SUMWQHHRSA-N 2 1 342.447 1.433 20 0 EDADMP C[C@H](CNC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000579582089 448825802 /nfs/dbraw/zinc/82/58/02/448825802.db2.gz KKXMTVMSOXFLOJ-DZVNLGKHSA-N 2 1 327.513 1.167 20 0 EDADMP C[C@H](CNC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000579582089 448825807 /nfs/dbraw/zinc/82/58/07/448825807.db2.gz KKXMTVMSOXFLOJ-DZVNLGKHSA-N 2 1 327.513 1.167 20 0 EDADMP C[C@H](CNC[C@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000579582089 448825811 /nfs/dbraw/zinc/82/58/11/448825811.db2.gz KKXMTVMSOXFLOJ-DZVNLGKHSA-N 2 1 327.513 1.167 20 0 EDADMP C[C@H](CNC[C@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000579582089 448825816 /nfs/dbraw/zinc/82/58/16/448825816.db2.gz KKXMTVMSOXFLOJ-DZVNLGKHSA-N 2 1 327.513 1.167 20 0 EDADMP CCOc1ccnc(N2CCC[N@H+](CCCc3c[nH+]cn3C)CC2)n1 ZINC000568165111 448826566 /nfs/dbraw/zinc/82/65/66/448826566.db2.gz HFZJKGFDCRBCER-UHFFFAOYSA-N 2 1 344.463 1.754 20 0 EDADMP CCOc1ccnc(N2CCC[N@@H+](CCCc3c[nH+]cn3C)CC2)n1 ZINC000568165111 448826569 /nfs/dbraw/zinc/82/65/69/448826569.db2.gz HFZJKGFDCRBCER-UHFFFAOYSA-N 2 1 344.463 1.754 20 0 EDADMP CC[C@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000529373707 448846329 /nfs/dbraw/zinc/84/63/29/448846329.db2.gz CEJZJDHDGBWGGR-MSOLQXFVSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000529373229 448846727 /nfs/dbraw/zinc/84/67/27/448846727.db2.gz AIUDVRKYRUQRQW-SOLBZPMBSA-N 2 1 346.475 1.279 20 0 EDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C1CC(O)C1 ZINC000546800570 448851895 /nfs/dbraw/zinc/85/18/95/448851895.db2.gz NHNAAGIAUOWICH-VNCLNFNDSA-N 2 1 345.487 1.611 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)[C@@H]1c1ccccc1 ZINC000520203840 448870832 /nfs/dbraw/zinc/87/08/32/448870832.db2.gz GKVOFDIFYZNPGW-ZNMIVQPWSA-N 2 1 338.402 1.728 20 0 EDADMP C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2)C[C@H](C)O1 ZINC000568629273 448898548 /nfs/dbraw/zinc/89/85/48/448898548.db2.gz CMZXNRRTHYHDMR-DIOPXHOYSA-N 2 1 331.460 1.858 20 0 EDADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000568880152 448935445 /nfs/dbraw/zinc/93/54/45/448935445.db2.gz NOQRAOBZOOUIPI-HKUYNNGSSA-N 2 1 348.487 1.609 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000568880152 448935448 /nfs/dbraw/zinc/93/54/48/448935448.db2.gz NOQRAOBZOOUIPI-HKUYNNGSSA-N 2 1 348.487 1.609 20 0 EDADMP CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000579967439 448924049 /nfs/dbraw/zinc/92/40/49/448924049.db2.gz JTXYFXLIDJMPDI-IBGZPJMESA-N 2 1 336.476 1.567 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@H+]1CCO ZINC000568879571 448936162 /nfs/dbraw/zinc/93/61/62/448936162.db2.gz CEERIUQREORPNG-ZIFCJYIRSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@@H+]1CCO ZINC000568879571 448936168 /nfs/dbraw/zinc/93/61/68/448936168.db2.gz CEERIUQREORPNG-ZIFCJYIRSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1CCO ZINC000568879571 448936170 /nfs/dbraw/zinc/93/61/70/448936170.db2.gz CEERIUQREORPNG-ZIFCJYIRSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1CCO ZINC000568879571 448936176 /nfs/dbraw/zinc/93/61/76/448936176.db2.gz CEERIUQREORPNG-ZIFCJYIRSA-N 2 1 345.487 1.422 20 0 EDADMP [NH3+]C1(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCCCC1 ZINC000574666555 448929365 /nfs/dbraw/zinc/92/93/65/448929365.db2.gz OCCDAHMCBKPJGI-HOTGVXAUSA-N 2 1 338.496 1.591 20 0 EDADMP COc1cc(OC)c([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1Cl ZINC000521423741 448984604 /nfs/dbraw/zinc/98/46/04/448984604.db2.gz MMNLHENALVXYCP-NSHDSACASA-N 2 1 341.839 1.440 20 0 EDADMP O=C([C@H]1[NH2+]CCc2ccccc21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000582125097 449018390 /nfs/dbraw/zinc/01/83/90/449018390.db2.gz GUGMFUYGNDELRL-IBGZPJMESA-N 2 1 343.471 1.444 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC000522147388 449056086 /nfs/dbraw/zinc/05/60/86/449056086.db2.gz GADXCAURUSWQBA-QGZVFWFLSA-N 2 1 349.475 1.212 20 0 EDADMP COCC[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000522147388 449056093 /nfs/dbraw/zinc/05/60/93/449056093.db2.gz GADXCAURUSWQBA-QGZVFWFLSA-N 2 1 349.475 1.212 20 0 EDADMP COCC[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000522147388 449056099 /nfs/dbraw/zinc/05/60/99/449056099.db2.gz GADXCAURUSWQBA-QGZVFWFLSA-N 2 1 349.475 1.212 20 0 EDADMP C[C@H]([C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1)[NH+]1CCOCC1 ZINC000548717039 449088567 /nfs/dbraw/zinc/08/85/67/449088567.db2.gz DTXHZLLJIMCMRY-JKSUJKDBSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@H]([C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1)[NH+]1CCOCC1 ZINC000548717039 449088572 /nfs/dbraw/zinc/08/85/72/449088572.db2.gz DTXHZLLJIMCMRY-JKSUJKDBSA-N 2 1 325.497 1.866 20 0 EDADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000595945829 449272153 /nfs/dbraw/zinc/27/21/53/449272153.db2.gz OOJICILKVAUYLT-SJORKVTESA-N 2 1 347.459 1.042 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000614066892 449441459 /nfs/dbraw/zinc/44/14/59/449441459.db2.gz LTWPTXOVKDNTDG-FQEVSTJZSA-N 2 1 345.487 1.350 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000614063914 449439024 /nfs/dbraw/zinc/43/90/24/449439024.db2.gz JHGSSPSHRIGEQL-ICSRJNTNSA-N 2 1 345.487 1.424 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(C)(C)n3cncn3)C2)CC1 ZINC000602480545 449624034 /nfs/dbraw/zinc/62/40/34/449624034.db2.gz CRFUMZTUYYYPFN-SJORKVTESA-N 2 1 334.512 1.502 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](c3nccn3C)C3CC3)C2)CC1 ZINC000602482277 449625380 /nfs/dbraw/zinc/62/53/80/449625380.db2.gz IJWYKUQKRUCGSN-MSOLQXFVSA-N 2 1 331.508 1.972 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](c3nccn3C)C3CC3)C2)CC1 ZINC000602482277 449625383 /nfs/dbraw/zinc/62/53/83/449625383.db2.gz IJWYKUQKRUCGSN-MSOLQXFVSA-N 2 1 331.508 1.972 20 0 EDADMP COC(=O)c1[nH]c(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000602484406 449626629 /nfs/dbraw/zinc/62/66/29/449626629.db2.gz OOUFNMOICNLWSY-KRWDZBQOSA-N 2 1 348.491 1.710 20 0 EDADMP COC(=O)c1[nH]c(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000602484406 449626632 /nfs/dbraw/zinc/62/66/32/449626632.db2.gz OOUFNMOICNLWSY-KRWDZBQOSA-N 2 1 348.491 1.710 20 0 EDADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1C ZINC000598981269 449679590 /nfs/dbraw/zinc/67/95/90/449679590.db2.gz MNMSWTXXAXAZCT-UHFFFAOYSA-N 2 1 337.464 1.745 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000617702356 449748520 /nfs/dbraw/zinc/74/85/20/449748520.db2.gz NRIGPYWJVZUMEN-GOSISDBHSA-N 2 1 331.460 1.354 20 0 EDADMP CC[NH+](CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000617702356 449748526 /nfs/dbraw/zinc/74/85/26/449748526.db2.gz NRIGPYWJVZUMEN-GOSISDBHSA-N 2 1 331.460 1.354 20 0 EDADMP CC[NH+](CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000617702356 449748536 /nfs/dbraw/zinc/74/85/36/449748536.db2.gz NRIGPYWJVZUMEN-GOSISDBHSA-N 2 1 331.460 1.354 20 0 EDADMP COC(=O)COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000597225398 449881944 /nfs/dbraw/zinc/88/19/44/449881944.db2.gz AZSNUPBJWHSNEX-KRWDZBQOSA-N 2 1 348.443 1.581 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC([N@H+]3CCOC[C@@H]3C)CC1)C2 ZINC000615086455 449945527 /nfs/dbraw/zinc/94/55/27/449945527.db2.gz FKMICIOVXMREMD-GOEBONIOSA-N 2 1 346.475 1.466 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC([N@@H+]3CCOC[C@@H]3C)CC1)C2 ZINC000615086455 449945531 /nfs/dbraw/zinc/94/55/31/449945531.db2.gz FKMICIOVXMREMD-GOEBONIOSA-N 2 1 346.475 1.466 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)CC[N@H+]1C ZINC000601437005 449959152 /nfs/dbraw/zinc/95/91/52/449959152.db2.gz MTDALZJEXJRBLD-ZJIFWQFVSA-N 2 1 325.522 1.755 20 0 EDADMP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000603063889 450046725 /nfs/dbraw/zinc/04/67/25/450046725.db2.gz VRLHWTCGVWMSEH-QXSJWSMHSA-N 2 1 341.496 1.541 20 0 EDADMP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000603063889 450046734 /nfs/dbraw/zinc/04/67/34/450046734.db2.gz VRLHWTCGVWMSEH-QXSJWSMHSA-N 2 1 341.496 1.541 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCN3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000595340348 450054325 /nfs/dbraw/zinc/05/43/25/450054325.db2.gz RTJIDLKBTBVOLT-GUDVDZBRSA-N 2 1 338.540 1.196 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000618549531 450238617 /nfs/dbraw/zinc/23/86/17/450238617.db2.gz AYXQTODVPJWDPZ-RBSFLKMASA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000618549531 450238626 /nfs/dbraw/zinc/23/86/26/450238626.db2.gz AYXQTODVPJWDPZ-RBSFLKMASA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000618663824 450267109 /nfs/dbraw/zinc/26/71/09/450267109.db2.gz MTWWVTFFFCNGNC-QGZVFWFLSA-N 2 1 336.524 1.537 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000618663824 450267114 /nfs/dbraw/zinc/26/71/14/450267114.db2.gz MTWWVTFFFCNGNC-QGZVFWFLSA-N 2 1 336.524 1.537 20 0 EDADMP CCN1CC[NH+](CCC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000618663824 450267117 /nfs/dbraw/zinc/26/71/17/450267117.db2.gz MTWWVTFFFCNGNC-QGZVFWFLSA-N 2 1 336.524 1.537 20 0 EDADMP CCOC(=O)CCC1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000619780836 450333076 /nfs/dbraw/zinc/33/30/76/450333076.db2.gz FFRXWEYTBPWCNC-UHFFFAOYSA-N 2 1 339.480 1.206 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000619893438 450358692 /nfs/dbraw/zinc/35/86/92/450358692.db2.gz ILPSGHKFVBBFJN-ROUUACIJSA-N 2 1 330.476 1.894 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000619893438 450358694 /nfs/dbraw/zinc/35/86/94/450358694.db2.gz ILPSGHKFVBBFJN-ROUUACIJSA-N 2 1 330.476 1.894 20 0 EDADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000619893438 450358698 /nfs/dbraw/zinc/35/86/98/450358698.db2.gz ILPSGHKFVBBFJN-ROUUACIJSA-N 2 1 330.476 1.894 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000623463259 450525421 /nfs/dbraw/zinc/52/54/21/450525421.db2.gz HVJVXADINPNCJH-UHFFFAOYSA-N 2 1 327.432 1.890 20 0 EDADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCC[C@H]2C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000623619244 450552750 /nfs/dbraw/zinc/55/27/50/450552750.db2.gz YOQFCZTUHQADNK-QRQLOZEOSA-N 2 1 344.503 1.579 20 0 EDADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCC[C@H]2C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000623619244 450552752 /nfs/dbraw/zinc/55/27/52/450552752.db2.gz YOQFCZTUHQADNK-QRQLOZEOSA-N 2 1 344.503 1.579 20 0 EDADMP C[C@@H]1C[C@@H](NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[NH+]1Cc1ccccc1 ZINC000623619244 450552755 /nfs/dbraw/zinc/55/27/55/450552755.db2.gz YOQFCZTUHQADNK-QRQLOZEOSA-N 2 1 344.503 1.579 20 0 EDADMP C[C@@H]1C[C@@H](NCCC[N@H+]2CCC[C@H]2C(N)=O)C[NH+]1Cc1ccccc1 ZINC000623619244 450552756 /nfs/dbraw/zinc/55/27/56/450552756.db2.gz YOQFCZTUHQADNK-QRQLOZEOSA-N 2 1 344.503 1.579 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CCOCC1 ZINC000623636990 450556993 /nfs/dbraw/zinc/55/69/93/450556993.db2.gz JKTZOZOMQDLHFV-OAHLLOKOSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620915181 450560606 /nfs/dbraw/zinc/56/06/06/450560606.db2.gz DRPORUKJEMCKEO-BBWFWOEESA-N 2 1 337.508 1.961 20 0 EDADMP COCCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1OC ZINC000629520651 450723551 /nfs/dbraw/zinc/72/35/51/450723551.db2.gz HHHOHODZAOJSPG-AWEZNQCLSA-N 2 1 338.448 1.879 20 0 EDADMP O=C1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000629565584 450738712 /nfs/dbraw/zinc/73/87/12/450738712.db2.gz QMIPFUFRKQZXHY-CADBVGFASA-N 2 1 343.471 1.190 20 0 EDADMP C[N@H+](CCOCC[NH3+])[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000629580769 450747573 /nfs/dbraw/zinc/74/75/73/450747573.db2.gz HAYWYZPTXRZZAF-AWEZNQCLSA-N 2 1 329.803 1.492 20 0 EDADMP C[N@@H+](CCOCC[NH3+])[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000629580769 450747577 /nfs/dbraw/zinc/74/75/77/450747577.db2.gz HAYWYZPTXRZZAF-AWEZNQCLSA-N 2 1 329.803 1.492 20 0 EDADMP O[C@H](C[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)C[NH+]1CCCC1 ZINC000629585205 450750682 /nfs/dbraw/zinc/75/06/82/450750682.db2.gz NHRIIOUCVBCCRA-UXHICEINSA-N 2 1 348.487 1.929 20 0 EDADMP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840862 450810095 /nfs/dbraw/zinc/81/00/95/450810095.db2.gz GOOSAMQKDWSESP-RBSFLKMASA-N 2 1 344.459 1.667 20 0 EDADMP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840862 450810100 /nfs/dbraw/zinc/81/01/00/450810100.db2.gz GOOSAMQKDWSESP-RBSFLKMASA-N 2 1 344.459 1.667 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631841245 450810200 /nfs/dbraw/zinc/81/02/00/450810200.db2.gz IJPJSIFIPSXXIG-NVXWUHKLSA-N 2 1 333.476 1.659 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631841245 450810204 /nfs/dbraw/zinc/81/02/04/450810204.db2.gz IJPJSIFIPSXXIG-NVXWUHKLSA-N 2 1 333.476 1.659 20 0 EDADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N1CCN(c2ccccc2)CC1 ZINC000635291738 450821662 /nfs/dbraw/zinc/82/16/62/450821662.db2.gz ZYOZQTGFHAGXKF-ROUUACIJSA-N 2 1 344.503 1.655 20 0 EDADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000635291738 450821668 /nfs/dbraw/zinc/82/16/68/450821668.db2.gz ZYOZQTGFHAGXKF-ROUUACIJSA-N 2 1 344.503 1.655 20 0 EDADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000635291738 450821674 /nfs/dbraw/zinc/82/16/74/450821674.db2.gz ZYOZQTGFHAGXKF-ROUUACIJSA-N 2 1 344.503 1.655 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000631821416 450797835 /nfs/dbraw/zinc/79/78/35/450797835.db2.gz XDLQOQMXIDEFNZ-HLLBOEOZSA-N 2 1 346.475 1.039 20 0 EDADMP [NH3+][C@@H]1CCCCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000631834127 450804346 /nfs/dbraw/zinc/80/43/46/450804346.db2.gz PJULMWPBVSFXNC-LJQANCHMSA-N 2 1 344.503 1.534 20 0 EDADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2CC[NH+](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000624486883 450862367 /nfs/dbraw/zinc/86/23/67/450862367.db2.gz QPUNYMOPFHLZDZ-LZQZEXGQSA-N 2 1 327.472 1.932 20 0 EDADMP C[NH+]1C[C@H](C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000624486883 450862370 /nfs/dbraw/zinc/86/23/70/450862370.db2.gz QPUNYMOPFHLZDZ-LZQZEXGQSA-N 2 1 327.472 1.932 20 0 EDADMP C[NH+]1C[C@H](C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000624486883 450862374 /nfs/dbraw/zinc/86/23/74/450862374.db2.gz QPUNYMOPFHLZDZ-LZQZEXGQSA-N 2 1 327.472 1.932 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC[N@H+]1C ZINC000631910381 450869419 /nfs/dbraw/zinc/86/94/19/450869419.db2.gz DCGIQQWOTMVVTK-XWTMOSNGSA-N 2 1 337.508 1.601 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000635474002 450972979 /nfs/dbraw/zinc/97/29/79/450972979.db2.gz UJFLPJTXFPGIQA-HNNXBMFYSA-N 2 1 349.479 1.065 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000635474002 450972981 /nfs/dbraw/zinc/97/29/81/450972981.db2.gz UJFLPJTXFPGIQA-HNNXBMFYSA-N 2 1 349.479 1.065 20 0 EDADMP C[NH+]1CCN(C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)c2ccccc2)CC1 ZINC000635491051 450988160 /nfs/dbraw/zinc/98/81/60/450988160.db2.gz LYSDVYWHHHAOLP-OALUTQOASA-N 2 1 344.503 1.576 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)cn1 ZINC000635509966 451006538 /nfs/dbraw/zinc/00/65/38/451006538.db2.gz MHVKJRZJIMOKFO-UHFFFAOYSA-N 2 1 345.491 1.330 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)cn1 ZINC000635509966 451006541 /nfs/dbraw/zinc/00/65/41/451006541.db2.gz MHVKJRZJIMOKFO-UHFFFAOYSA-N 2 1 345.491 1.330 20 0 EDADMP CN(CCOCC[NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000626923488 451007882 /nfs/dbraw/zinc/00/78/82/451007882.db2.gz UJLYBGBHQRLCTD-OAHLLOKOSA-N 2 1 342.871 1.559 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCCC2)CC1 ZINC000635539512 451036092 /nfs/dbraw/zinc/03/60/92/451036092.db2.gz QDZIIABUYNWLGK-INIZCTEOSA-N 2 1 337.508 1.868 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626991211 451057506 /nfs/dbraw/zinc/05/75/06/451057506.db2.gz CQVDZRHKTSFMPT-CHWSQXEVSA-N 2 1 338.418 1.887 20 0 EDADMP CCN(CC[NH3+])C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000627019445 451083827 /nfs/dbraw/zinc/08/38/27/451083827.db2.gz DBUGILPEHCHMJK-MRXNPFEDSA-N 2 1 336.505 1.594 20 0 EDADMP CCN(CC[NH3+])C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000627019445 451083831 /nfs/dbraw/zinc/08/38/31/451083831.db2.gz DBUGILPEHCHMJK-MRXNPFEDSA-N 2 1 336.505 1.594 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000626981237 451049897 /nfs/dbraw/zinc/04/98/97/451049897.db2.gz ZEKQZKKZRUWRRG-CAOSSQGBSA-N 2 1 326.485 1.173 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@@H](Cc2ccccc2)C1 ZINC000627126551 451140065 /nfs/dbraw/zinc/14/00/65/451140065.db2.gz HEZRGXJYCKQJBD-ZWKOTPCHSA-N 2 1 342.487 1.839 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@@H](Cc2ccccc2)C1 ZINC000627126551 451140072 /nfs/dbraw/zinc/14/00/72/451140072.db2.gz HEZRGXJYCKQJBD-ZWKOTPCHSA-N 2 1 342.487 1.839 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635664848 451149912 /nfs/dbraw/zinc/14/99/12/451149912.db2.gz DXNPSCVKXLAXIC-SFHVURJKSA-N 2 1 337.508 1.963 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000635787686 451239510 /nfs/dbraw/zinc/23/95/10/451239510.db2.gz YDGMEZDCZIETJY-CRAIPNDOSA-N 2 1 331.460 1.211 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000635787686 451239513 /nfs/dbraw/zinc/23/95/13/451239513.db2.gz YDGMEZDCZIETJY-CRAIPNDOSA-N 2 1 331.460 1.211 20 0 EDADMP C[NH+]1CC[C@H](CC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000635787686 451239516 /nfs/dbraw/zinc/23/95/16/451239516.db2.gz YDGMEZDCZIETJY-CRAIPNDOSA-N 2 1 331.460 1.211 20 0 EDADMP COCC[C@@H]([NH3+])Cc1cn(CC[N@@H+](C)Cc2cccc(F)c2)nn1 ZINC000630589830 451265877 /nfs/dbraw/zinc/26/58/77/451265877.db2.gz LQGMJINDTYRWLX-MRXNPFEDSA-N 2 1 335.427 1.456 20 0 EDADMP COCC[C@H]([NH3+])Cc1cn(CC[N@@H+](C)Cc2cccc(F)c2)nn1 ZINC000630589829 451266349 /nfs/dbraw/zinc/26/63/49/451266349.db2.gz LQGMJINDTYRWLX-INIZCTEOSA-N 2 1 335.427 1.456 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000634296905 451282136 /nfs/dbraw/zinc/28/21/36/451282136.db2.gz CRFBZNDDVMUSAG-GOSISDBHSA-N 2 1 330.476 1.964 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000638120935 451289742 /nfs/dbraw/zinc/28/97/42/451289742.db2.gz AZBOWWYCGHDRDS-QGTPRVQTSA-N 2 1 333.476 1.754 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)C1 ZINC000638127254 451297114 /nfs/dbraw/zinc/29/71/14/451297114.db2.gz ALRNFWKQKHGTBH-SJLPKXTDSA-N 2 1 333.476 1.755 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000638131955 451303397 /nfs/dbraw/zinc/30/33/97/451303397.db2.gz FFEWGIVYNXFKDG-RYRKJORJSA-N 2 1 331.460 1.650 20 0 EDADMP C[C@@H](CCNC(=O)[C@@]1(C[NH3+])CCCOC1)[N@@H+](C)Cc1ccccc1 ZINC000638132095 451303927 /nfs/dbraw/zinc/30/39/27/451303927.db2.gz OYXARFMHELZRKC-QFBILLFUSA-N 2 1 333.476 1.769 20 0 EDADMP [NH3+][C@H]1CCC[C@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638198511 451351852 /nfs/dbraw/zinc/35/18/52/451351852.db2.gz CBXVEMBTUKWHDC-ROUUACIJSA-N 3 1 344.503 1.756 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000635920294 451365382 /nfs/dbraw/zinc/36/53/82/451365382.db2.gz BIASXSDMVKZZPP-SJORKVTESA-N 2 1 341.496 1.057 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000635927432 451370120 /nfs/dbraw/zinc/37/01/20/451370120.db2.gz NOFUHVYPLMJVCO-SJORKVTESA-N 2 1 341.496 1.057 20 0 EDADMP O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638229832 451371105 /nfs/dbraw/zinc/37/11/05/451371105.db2.gz QSUQAWGQFHQHHG-OALUTQOASA-N 2 1 342.487 1.015 20 0 EDADMP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638241949 451376285 /nfs/dbraw/zinc/37/62/85/451376285.db2.gz URDMLIVDEIRDOK-MOPGFXCFSA-N 2 1 342.487 1.015 20 0 EDADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC000635948350 451388377 /nfs/dbraw/zinc/38/83/77/451388377.db2.gz LZCKJSPLGNWASV-QAPCUYQASA-N 2 1 335.492 1.715 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635948350 451388379 /nfs/dbraw/zinc/38/83/79/451388379.db2.gz LZCKJSPLGNWASV-QAPCUYQASA-N 2 1 335.492 1.715 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635948350 451388382 /nfs/dbraw/zinc/38/83/82/451388382.db2.gz LZCKJSPLGNWASV-QAPCUYQASA-N 2 1 335.492 1.715 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C)N3CC[NH+](C)CC3)C2)cc1 ZINC000634456381 451345524 /nfs/dbraw/zinc/34/55/24/451345524.db2.gz BSYJEFJTNYAJDV-IEBWSBKVSA-N 2 1 344.503 1.321 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)N3CC[NH+](C)CC3)C2)cc1 ZINC000634456381 451345529 /nfs/dbraw/zinc/34/55/29/451345529.db2.gz BSYJEFJTNYAJDV-IEBWSBKVSA-N 2 1 344.503 1.321 20 0 EDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638285229 451403605 /nfs/dbraw/zinc/40/36/05/451403605.db2.gz VQYPKQKWROIATR-ROUUACIJSA-N 2 1 332.492 1.244 20 0 EDADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638285229 451403612 /nfs/dbraw/zinc/40/36/12/451403612.db2.gz VQYPKQKWROIATR-ROUUACIJSA-N 2 1 332.492 1.244 20 0 EDADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638285229 451403616 /nfs/dbraw/zinc/40/36/16/451403616.db2.gz VQYPKQKWROIATR-ROUUACIJSA-N 2 1 332.492 1.244 20 0 EDADMP C[C@@H](NC(=O)c1cnc(C[NH3+])nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638309592 451422383 /nfs/dbraw/zinc/42/23/83/451422383.db2.gz SEAJZFDLTXYYFM-GDBMZVCRSA-N 2 1 339.443 1.576 20 0 EDADMP [NH3+]C[C@]1(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCCOC1 ZINC000638367455 451465499 /nfs/dbraw/zinc/46/54/99/451465499.db2.gz OSHIZHWFOVRCEV-NLWGTHIKSA-N 2 1 343.471 1.475 20 0 EDADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640625223 451472254 /nfs/dbraw/zinc/47/22/54/451472254.db2.gz WILWRVFPIJECBY-AWEZNQCLSA-N 2 1 349.479 1.452 20 0 EDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640625223 451472258 /nfs/dbraw/zinc/47/22/58/451472258.db2.gz WILWRVFPIJECBY-AWEZNQCLSA-N 2 1 349.479 1.452 20 0 EDADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638445975 451521183 /nfs/dbraw/zinc/52/11/83/451521183.db2.gz RRHPCCPHKDFUAD-BWTSREIZSA-N 2 1 339.439 1.993 20 0 EDADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638445975 451521189 /nfs/dbraw/zinc/52/11/89/451521189.db2.gz RRHPCCPHKDFUAD-BWTSREIZSA-N 2 1 339.439 1.993 20 0 EDADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000638481822 451535187 /nfs/dbraw/zinc/53/51/87/451535187.db2.gz RMCWUVVIQXZOAM-MSOLQXFVSA-N 2 1 331.460 1.344 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768310 451537034 /nfs/dbraw/zinc/53/70/34/451537034.db2.gz FAKOGWDXTDTDKA-GGPKGHCWSA-N 2 1 343.471 1.536 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768310 451537040 /nfs/dbraw/zinc/53/70/40/451537040.db2.gz FAKOGWDXTDTDKA-GGPKGHCWSA-N 2 1 343.471 1.536 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636837730 451545490 /nfs/dbraw/zinc/54/54/90/451545490.db2.gz UEIGCSQNRJTHKE-MRXNPFEDSA-N 2 1 334.468 1.756 20 0 EDADMP CO[C@@H](C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CCCC1 ZINC000638523915 451557551 /nfs/dbraw/zinc/55/75/51/451557551.db2.gz KDGMPDCPLJVKDZ-KRWDZBQOSA-N 2 1 325.497 1.724 20 0 EDADMP COCCc1ncc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000631063115 451562726 /nfs/dbraw/zinc/56/27/26/451562726.db2.gz BMQRYQLUADQWQC-CYBMUJFWSA-N 2 1 340.493 1.009 20 0 EDADMP COCCc1ncc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000631063115 451562735 /nfs/dbraw/zinc/56/27/35/451562735.db2.gz BMQRYQLUADQWQC-CYBMUJFWSA-N 2 1 340.493 1.009 20 0 EDADMP Cc1ccc(N2CCC(C(=O)NCC3([NH3+])CCOCC3)CC2)[nH+]c1 ZINC000638540263 451567654 /nfs/dbraw/zinc/56/76/54/451567654.db2.gz LNOFEUKIRMJUIB-UHFFFAOYSA-N 2 1 332.448 1.231 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638546331 451570923 /nfs/dbraw/zinc/57/09/23/451570923.db2.gz DDEUCMLTMVMSHK-QKCSRTOESA-N 2 1 345.365 1.681 20 0 EDADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638567108 451579989 /nfs/dbraw/zinc/57/99/89/451579989.db2.gz WDIYOFJRXNXWPJ-HNNXBMFYSA-N 2 1 325.478 1.544 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638567108 451579990 /nfs/dbraw/zinc/57/99/90/451579990.db2.gz WDIYOFJRXNXWPJ-HNNXBMFYSA-N 2 1 325.478 1.544 20 0 EDADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634984700 451636618 /nfs/dbraw/zinc/63/66/18/451636618.db2.gz ZUGHGLWKLCEAOG-CEXWTWQISA-N 2 1 345.487 1.782 20 0 EDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634984700 451636621 /nfs/dbraw/zinc/63/66/21/451636621.db2.gz ZUGHGLWKLCEAOG-CEXWTWQISA-N 2 1 345.487 1.782 20 0 EDADMP CN(CC(=O)N1CCNCC1)Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991179 451639917 /nfs/dbraw/zinc/63/99/17/451639917.db2.gz STNSFRXYKMQRBY-UHFFFAOYSA-N 2 1 339.443 1.194 20 0 EDADMP CN(CCOCC[NH3+])C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000638671271 451643768 /nfs/dbraw/zinc/64/37/68/451643768.db2.gz WUUPFBFLXCPPAA-UHFFFAOYSA-N 2 1 348.266 1.161 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCCCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000638815124 451699048 /nfs/dbraw/zinc/69/90/48/451699048.db2.gz AMYBBZYTKMVWSM-LJQANCHMSA-N 2 1 344.503 1.778 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000638820224 451701167 /nfs/dbraw/zinc/70/11/67/451701167.db2.gz SQIPXXWYACZLEX-SJORKVTESA-N 2 1 325.497 1.853 20 0 EDADMP COC[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC[NH2+]C1 ZINC000639003468 451751032 /nfs/dbraw/zinc/75/10/32/451751032.db2.gz ALKDSYDQLWQKAG-HKUYNNGSSA-N 2 1 331.460 1.312 20 0 EDADMP CC[C@]1(O)CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000637265475 451774679 /nfs/dbraw/zinc/77/46/79/451774679.db2.gz QOOGRNVFGXOSMT-RDJZCZTQSA-N 2 1 328.501 1.205 20 0 EDADMP CC[C@]1(O)CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000637265475 451774680 /nfs/dbraw/zinc/77/46/80/451774680.db2.gz QOOGRNVFGXOSMT-RDJZCZTQSA-N 2 1 328.501 1.205 20 0 EDADMP Cn1c2ccccc2cc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1=O ZINC000639201747 451791103 /nfs/dbraw/zinc/79/11/03/451791103.db2.gz ZUBUMAQNFDKTMW-UHFFFAOYSA-N 2 1 343.471 1.863 20 0 EDADMP O=C(NCCNc1cc[nH+]cc1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000637373780 451805594 /nfs/dbraw/zinc/80/55/94/451805594.db2.gz RSJBOWRROXGCMO-QGZVFWFLSA-N 2 1 331.464 1.622 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(OCCN3CCOCC3)cc2)C[C@]1(C)CO ZINC000639331736 451830751 /nfs/dbraw/zinc/83/07/51/451830751.db2.gz YHPDHHLLFJZSIS-YLJYHZDGSA-N 2 1 348.487 1.848 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000644525356 451841859 /nfs/dbraw/zinc/84/18/59/451841859.db2.gz WCNHAMSOCKQCNO-UKRRQHHQSA-N 2 1 347.415 1.586 20 0 EDADMP C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cccc3c2CCN(C)C3)C1 ZINC000641366065 451898821 /nfs/dbraw/zinc/89/88/21/451898821.db2.gz VKLWXQBGHDHUFN-AWEZNQCLSA-N 2 1 337.489 1.295 20 0 EDADMP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CCO1 ZINC000646851349 451887613 /nfs/dbraw/zinc/88/76/13/451887613.db2.gz TZVYVDFKFBYLSN-USXIJHARSA-N 2 1 349.500 1.351 20 0 EDADMP CNC(=O)CC1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639509113 451913432 /nfs/dbraw/zinc/91/34/32/451913432.db2.gz WPVJATQVJUFKDV-FQEVSTJZSA-N 2 1 345.487 1.472 20 0 EDADMP CNC(=O)CC1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639509113 451913437 /nfs/dbraw/zinc/91/34/37/451913437.db2.gz WPVJATQVJUFKDV-FQEVSTJZSA-N 2 1 345.487 1.472 20 0 EDADMP CNC(=O)CC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639509113 451913443 /nfs/dbraw/zinc/91/34/43/451913443.db2.gz WPVJATQVJUFKDV-FQEVSTJZSA-N 2 1 345.487 1.472 20 0 EDADMP CNC(=O)CC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639509113 451913448 /nfs/dbraw/zinc/91/34/48/451913448.db2.gz WPVJATQVJUFKDV-FQEVSTJZSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC1C[NH2+]C1 ZINC000646901863 451920946 /nfs/dbraw/zinc/92/09/46/451920946.db2.gz QXZUDLQVIQYKCO-OAHLLOKOSA-N 2 1 331.460 1.889 20 0 EDADMP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@]1(N)CC[N@@H+](C)C1 ZINC000649290795 451965747 /nfs/dbraw/zinc/96/57/47/451965747.db2.gz SWIBNKDAAYVINK-LJQANCHMSA-N 2 1 348.491 1.056 20 0 EDADMP CCCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000646970979 451977436 /nfs/dbraw/zinc/97/74/36/451977436.db2.gz AANLZNRDTWVAME-INIZCTEOSA-N 2 1 340.512 1.164 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])cc2)CC1 ZINC000649308352 451985123 /nfs/dbraw/zinc/98/51/23/451985123.db2.gz AZHWMIIRQGXPEY-ZIAGYGMSSA-N 2 1 332.448 1.386 20 0 EDADMP CCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000649308679 451987194 /nfs/dbraw/zinc/98/71/94/451987194.db2.gz UETXXKAUZOLNPV-INIZCTEOSA-N 2 1 332.448 1.530 20 0 EDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000649313818 451993244 /nfs/dbraw/zinc/99/32/44/451993244.db2.gz YPQHQOFRNQLNGY-NUEKZKHPSA-N 2 1 344.459 1.320 20 0 EDADMP C[C@@H](c1ccc(NC(=O)COC2(C)C[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000649322722 452001124 /nfs/dbraw/zinc/00/11/24/452001124.db2.gz IEMFFYGMOWSNDT-AWEZNQCLSA-N 2 1 333.432 1.397 20 0 EDADMP C[N@@H+]1CC[C@](N)(C(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000649323113 452002074 /nfs/dbraw/zinc/00/20/74/452002074.db2.gz HGOGXKSYKSZRBZ-LJQANCHMSA-N 2 1 330.476 1.142 20 0 EDADMP C[N@H+]1CC[C@](N)(C(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000649323113 452002081 /nfs/dbraw/zinc/00/20/81/452002081.db2.gz HGOGXKSYKSZRBZ-LJQANCHMSA-N 2 1 330.476 1.142 20 0 EDADMP C[NH+]1CC[C@](N)(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000649323113 452002086 /nfs/dbraw/zinc/00/20/86/452002086.db2.gz HGOGXKSYKSZRBZ-LJQANCHMSA-N 2 1 330.476 1.142 20 0 EDADMP C[NH+]1CC[C@](N)(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000649323113 452002095 /nfs/dbraw/zinc/00/20/95/452002095.db2.gz HGOGXKSYKSZRBZ-LJQANCHMSA-N 2 1 330.476 1.142 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC[C@H]1[NH3+] ZINC000647009926 452003145 /nfs/dbraw/zinc/00/31/45/452003145.db2.gz KUIBGPLGDCELAH-KZNAEPCWSA-N 2 1 330.476 1.879 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2(N)CC[N@@H+](C)C2)CC1 ZINC000649323652 452003279 /nfs/dbraw/zinc/00/32/79/452003279.db2.gz MFOHWDXONRZZAJ-DNVCBOLYSA-N 2 1 330.476 1.361 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2([NH3+])CCN(C)C2)CC1 ZINC000649323652 452003284 /nfs/dbraw/zinc/00/32/84/452003284.db2.gz MFOHWDXONRZZAJ-DNVCBOLYSA-N 2 1 330.476 1.361 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000644840646 452024701 /nfs/dbraw/zinc/02/47/01/452024701.db2.gz DFGVSFLCKJUJFI-MRXNPFEDSA-N 2 1 340.489 1.494 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000644840646 452024704 /nfs/dbraw/zinc/02/47/04/452024704.db2.gz DFGVSFLCKJUJFI-MRXNPFEDSA-N 2 1 340.489 1.494 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CCC(C)(C)[NH3+])C2)cc(OC)c1 ZINC000649344849 452026344 /nfs/dbraw/zinc/02/63/44/452026344.db2.gz UFGYVVQHZORKNE-OAHLLOKOSA-N 2 1 349.475 1.912 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)CCC(C)(C)[NH3+])C2)cc(OC)c1 ZINC000649344849 452026350 /nfs/dbraw/zinc/02/63/50/452026350.db2.gz UFGYVVQHZORKNE-OAHLLOKOSA-N 2 1 349.475 1.912 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000643057570 452028608 /nfs/dbraw/zinc/02/86/08/452028608.db2.gz RDHOYZSAMJPVCH-HZPDHXFCSA-N 2 1 332.448 1.227 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000643057570 452028613 /nfs/dbraw/zinc/02/86/13/452028613.db2.gz RDHOYZSAMJPVCH-HZPDHXFCSA-N 2 1 332.448 1.227 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649352938 452036665 /nfs/dbraw/zinc/03/66/65/452036665.db2.gz WAHCRNHEXVKFEQ-NXHRZFHOSA-N 2 1 328.460 1.017 20 0 EDADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000649362053 452041895 /nfs/dbraw/zinc/04/18/95/452041895.db2.gz FHNYFMVQKPMMHH-HKUYNNGSSA-N 2 1 328.460 1.648 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000649362053 452041899 /nfs/dbraw/zinc/04/18/99/452041899.db2.gz FHNYFMVQKPMMHH-HKUYNNGSSA-N 2 1 328.460 1.648 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)N3CCC[N@H+](C)CC3)C2)cc1 ZINC000637723869 452047944 /nfs/dbraw/zinc/04/79/44/452047944.db2.gz SROZYSVPRDGGHW-SFHVURJKSA-N 2 1 330.476 1.916 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CCC[NH+](C)CC3)C2)cc1 ZINC000637723869 452047951 /nfs/dbraw/zinc/04/79/51/452047951.db2.gz SROZYSVPRDGGHW-SFHVURJKSA-N 2 1 330.476 1.916 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CCC[NH+](C)CC3)C2)cc1 ZINC000637723869 452047956 /nfs/dbraw/zinc/04/79/56/452047956.db2.gz SROZYSVPRDGGHW-SFHVURJKSA-N 2 1 330.476 1.916 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000643204624 452067911 /nfs/dbraw/zinc/06/79/11/452067911.db2.gz DGRHJFPQJINUFE-ZACQAIPSSA-N 2 1 340.512 1.347 20 0 EDADMP C[N@H+]1CCC[C@H](NC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644940549 452076284 /nfs/dbraw/zinc/07/62/84/452076284.db2.gz HPQYYMLQUICRAR-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644940549 452076290 /nfs/dbraw/zinc/07/62/90/452076290.db2.gz HPQYYMLQUICRAR-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CCC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644940549 452076293 /nfs/dbraw/zinc/07/62/93/452076293.db2.gz HPQYYMLQUICRAR-GBESFXJTSA-N 2 1 342.487 1.997 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649417907 452079341 /nfs/dbraw/zinc/07/93/41/452079341.db2.gz NVGTZNROTSXQAD-IAGOWNOFSA-N 3 1 348.535 1.441 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417987 452080728 /nfs/dbraw/zinc/08/07/28/452080728.db2.gz SZZPVPDOHLHLBZ-IRXDYDNUSA-N 3 1 336.524 1.299 20 0 EDADMP O[C@@]1(C[N@H+]2CC[C@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC000639784172 452126066 /nfs/dbraw/zinc/12/60/66/452126066.db2.gz KDCGFAVSQPYWNW-RBUKOAKNSA-N 2 1 341.459 1.237 20 0 EDADMP O[C@@]1(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639784172 452126072 /nfs/dbraw/zinc/12/60/72/452126072.db2.gz KDCGFAVSQPYWNW-RBUKOAKNSA-N 2 1 341.459 1.237 20 0 EDADMP O[C@@]1(C[N@H+]2CC[C@H](Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639784172 452126078 /nfs/dbraw/zinc/12/60/78/452126078.db2.gz KDCGFAVSQPYWNW-RBUKOAKNSA-N 2 1 341.459 1.237 20 0 EDADMP O[C@@]1(C[NH+]2CC[C@H](Cn3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639784172 452126085 /nfs/dbraw/zinc/12/60/85/452126085.db2.gz KDCGFAVSQPYWNW-RBUKOAKNSA-N 2 1 341.459 1.237 20 0 EDADMP O[C@@]1(C[NH+]2CC[C@H](Cn3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639784172 452126093 /nfs/dbraw/zinc/12/60/93/452126093.db2.gz KDCGFAVSQPYWNW-RBUKOAKNSA-N 2 1 341.459 1.237 20 0 EDADMP C[N@H+]1CCC[C@@H]1CN1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000649610693 452165982 /nfs/dbraw/zinc/16/59/82/452165982.db2.gz YOCBHLADYUAKPX-RTWAWAEBSA-N 2 1 342.531 1.973 20 0 EDADMP C[NH+]1CCC[C@@H]1CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000649610693 452165985 /nfs/dbraw/zinc/16/59/85/452165985.db2.gz YOCBHLADYUAKPX-RTWAWAEBSA-N 2 1 342.531 1.973 20 0 EDADMP C[NH+]1CCC[C@@H]1CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000649610693 452165988 /nfs/dbraw/zinc/16/59/88/452165988.db2.gz YOCBHLADYUAKPX-RTWAWAEBSA-N 2 1 342.531 1.973 20 0 EDADMP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCC[N@H+]1C ZINC000649610470 452166099 /nfs/dbraw/zinc/16/60/99/452166099.db2.gz TUJNFRNZFJBDIR-HXUWFJFHSA-N 2 1 330.520 1.830 20 0 EDADMP CCCN(C(=O)NCCCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000645165734 452188645 /nfs/dbraw/zinc/18/86/45/452188645.db2.gz PTYGPDYTASORRO-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000641750075 452236397 /nfs/dbraw/zinc/23/63/97/452236397.db2.gz HGWPKDDYCMAWGH-UHFFFAOYSA-N 2 1 348.491 1.863 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2(COC)CC[NH2+]CC2)[C@@H](C)C1 ZINC000641757944 452239974 /nfs/dbraw/zinc/23/99/74/452239974.db2.gz MOJHMFDMZTXZFF-JKSUJKDBSA-N 2 1 340.512 1.374 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000647529952 452266161 /nfs/dbraw/zinc/26/61/61/452266161.db2.gz YLABSJGVWMQEOZ-UXHICEINSA-N 2 1 346.446 1.812 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000647529952 452266169 /nfs/dbraw/zinc/26/61/69/452266169.db2.gz YLABSJGVWMQEOZ-UXHICEINSA-N 2 1 346.446 1.812 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H]1CCOc2ccccc21 ZINC000647539467 452270312 /nfs/dbraw/zinc/27/03/12/452270312.db2.gz DWDKAIHYRFMQIO-JKSUJKDBSA-N 2 1 331.460 1.872 20 0 EDADMP COc1ccc(CCNC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1OC ZINC000641808178 452288326 /nfs/dbraw/zinc/28/83/26/452288326.db2.gz XJQUCSPSBYNTNC-CVEARBPZSA-N 2 1 335.448 1.078 20 0 EDADMP Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c(C)c1 ZINC000641807991 452289307 /nfs/dbraw/zinc/28/93/07/452289307.db2.gz WTVJLCCKWLSUSA-HUUCEWRRSA-N 2 1 346.475 1.382 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000659452802 452301956 /nfs/dbraw/zinc/30/19/56/452301956.db2.gz FCDUQNBVWSVBHM-GFCCVEGCSA-N 2 1 337.468 1.411 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000641858131 452326651 /nfs/dbraw/zinc/32/66/51/452326651.db2.gz GLMDXHMDBLVHFW-ZOBUZTSGSA-N 2 1 331.464 1.503 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000659470901 452328487 /nfs/dbraw/zinc/32/84/87/452328487.db2.gz LKHQPOPGZVLJIH-XIRDDKMYSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659470901 452328492 /nfs/dbraw/zinc/32/84/92/452328492.db2.gz LKHQPOPGZVLJIH-XIRDDKMYSA-N 2 1 338.496 1.127 20 0 EDADMP CO[C@@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CCOCC1 ZINC000638054511 452338451 /nfs/dbraw/zinc/33/84/51/452338451.db2.gz DWBNOJOWFFLCID-MSOLQXFVSA-N 2 1 325.497 1.140 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1(C)C ZINC000665763789 452348660 /nfs/dbraw/zinc/34/86/60/452348660.db2.gz LTNMLLAVMPUYOT-JKSUJKDBSA-N 2 1 342.528 1.715 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1(C)C ZINC000665763789 452348672 /nfs/dbraw/zinc/34/86/72/452348672.db2.gz LTNMLLAVMPUYOT-JKSUJKDBSA-N 2 1 342.528 1.715 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000665764129 452350046 /nfs/dbraw/zinc/35/00/46/452350046.db2.gz VTJQDZBWAKROMI-JKSUJKDBSA-N 2 1 342.528 1.451 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000665764129 452350050 /nfs/dbraw/zinc/35/00/50/452350050.db2.gz VTJQDZBWAKROMI-JKSUJKDBSA-N 2 1 342.528 1.451 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@@H](CC)CO1 ZINC000665763974 452350358 /nfs/dbraw/zinc/35/03/58/452350358.db2.gz QLIPEZHBWSAALJ-YESZJQIVSA-N 2 1 342.528 1.857 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H](CC)CO1 ZINC000665763974 452350365 /nfs/dbraw/zinc/35/03/65/452350365.db2.gz QLIPEZHBWSAALJ-YESZJQIVSA-N 2 1 342.528 1.857 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)CC[N@H+]1Cc1ccccc1 ZINC000659492569 452355418 /nfs/dbraw/zinc/35/54/18/452355418.db2.gz GKZHLBSFCNRRCY-HCMQPCSISA-N 2 1 328.460 1.782 20 0 EDADMP COCCn1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000657595888 452364108 /nfs/dbraw/zinc/36/41/08/452364108.db2.gz SIPFRJMDOJDVIG-LJQANCHMSA-N 2 1 344.459 1.386 20 0 EDADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638072479 452381529 /nfs/dbraw/zinc/38/15/29/452381529.db2.gz SOFRJURNTWPJEI-ZIFCJYIRSA-N 2 1 331.460 1.534 20 0 EDADMP COC[C@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CCCC[NH2+]1 ZINC000638081619 452397793 /nfs/dbraw/zinc/39/77/93/452397793.db2.gz AZOSQDYIJBNRQM-YJBOKZPZSA-N 2 1 325.497 1.772 20 0 EDADMP [NH3+]C[C@@]1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CCCOC1 ZINC000638081299 452399307 /nfs/dbraw/zinc/39/93/07/452399307.db2.gz WZWSYJBRODXYQY-QUCCMNQESA-N 2 1 345.487 1.913 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC000652217356 452411277 /nfs/dbraw/zinc/41/12/77/452411277.db2.gz VJADXJUOOPWMKU-KBAYOESNSA-N 2 1 330.476 1.695 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC000652217356 452411287 /nfs/dbraw/zinc/41/12/87/452411287.db2.gz VJADXJUOOPWMKU-KBAYOESNSA-N 2 1 330.476 1.695 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC2([NH3+])CCCC2)C[C@@H](C)O1 ZINC000659572553 452427635 /nfs/dbraw/zinc/42/76/35/452427635.db2.gz XLRZNOJFWCWFNU-OAGGEKHMSA-N 2 1 338.496 1.541 20 0 EDADMP C[N@H+]1CC[C@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000659578543 452433863 /nfs/dbraw/zinc/43/38/63/452433863.db2.gz DKZNHKLWNYJWGX-WJFTUGDTSA-N 2 1 342.487 1.868 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)COC3CC[NH2+]CC3)cc2)CC1 ZINC000645483830 452453327 /nfs/dbraw/zinc/45/33/27/452453327.db2.gz ZAONVBYUQPLAQL-UHFFFAOYSA-N 2 1 346.475 1.141 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)c1cc(N2CCC(C)(O)CC2)ncn1 ZINC000663734182 452467914 /nfs/dbraw/zinc/46/79/14/452467914.db2.gz JQXHULMCYWHVAL-UHFFFAOYSA-N 2 1 344.463 1.859 20 0 EDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616096 452473335 /nfs/dbraw/zinc/47/33/35/452473335.db2.gz JAZWBQNXVWAMQF-PGYGNJIDSA-N 2 1 342.487 1.902 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000652292032 452476872 /nfs/dbraw/zinc/47/68/72/452476872.db2.gz UUGPTOYUZXNWHU-GOSISDBHSA-N 2 1 339.443 1.657 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)COCC[NH3+])cc2)C1 ZINC000645527011 452496487 /nfs/dbraw/zinc/49/64/87/452496487.db2.gz SBKHAHCPFMMCAE-IYBDPMFKSA-N 2 1 333.476 1.756 20 0 EDADMP Fc1cccc(Cc2nnc3n2CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C3)c1 ZINC000652344403 452516287 /nfs/dbraw/zinc/51/62/87/452516287.db2.gz AKRAVDKMZKLQQJ-AWEZNQCLSA-N 2 1 329.423 1.823 20 0 EDADMP Fc1cccc(Cc2nnc3n2CC[N@H+](CC[C@@H]2CC[NH2+]C2)C3)c1 ZINC000652344403 452516294 /nfs/dbraw/zinc/51/62/94/452516294.db2.gz AKRAVDKMZKLQQJ-AWEZNQCLSA-N 2 1 329.423 1.823 20 0 EDADMP c1cnc(N2CCC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)nc1 ZINC000655695482 452517805 /nfs/dbraw/zinc/51/78/05/452517805.db2.gz ZALOXGBDTZJEPP-ZWKOTPCHSA-N 2 1 345.491 1.678 20 0 EDADMP CN(C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000652345574 452520749 /nfs/dbraw/zinc/52/07/49/452520749.db2.gz GBYOZTZOECNFTI-LZLYRXPVSA-N 2 1 337.508 1.996 20 0 EDADMP CN(C(=O)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655699471 452521826 /nfs/dbraw/zinc/52/18/26/452521826.db2.gz ANVOIUBKQXMHCF-GOSISDBHSA-N 2 1 331.460 1.882 20 0 EDADMP Cc1cccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655706906 452527156 /nfs/dbraw/zinc/52/71/56/452527156.db2.gz NMRCEICQVGSGNL-QZTJIDSGSA-N 2 1 334.460 1.578 20 0 EDADMP C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)[C@@H]1CC[NH3+] ZINC000652355169 452532273 /nfs/dbraw/zinc/53/22/73/452532273.db2.gz QMVSHKUWULAWOI-GOEBONIOSA-N 2 1 325.478 1.414 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)[C@@H]1CC[NH3+] ZINC000652355169 452532284 /nfs/dbraw/zinc/53/22/84/452532284.db2.gz QMVSHKUWULAWOI-GOEBONIOSA-N 2 1 325.478 1.414 20 0 EDADMP Cn1cc(N2CCC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cn1 ZINC000655714882 452532540 /nfs/dbraw/zinc/53/25/40/452532540.db2.gz DDMIHEQGCMSQPN-IEBWSBKVSA-N 2 1 347.507 1.622 20 0 EDADMP CCO[C@@H]1C[N@@H+](CCC(=O)N2CCc3sccc3C2)C[C@H]1C[NH3+] ZINC000652357031 452534297 /nfs/dbraw/zinc/53/42/97/452534297.db2.gz XPYDSZLLSREDKL-HUUCEWRRSA-N 2 1 337.489 1.319 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2nnc3n2CCCCC3)C1 ZINC000652363678 452544882 /nfs/dbraw/zinc/54/48/82/452544882.db2.gz KVPUFDAPCMZTFK-PMPSAXMXSA-N 2 1 333.480 1.865 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2nnc3n2CCCCC3)C1 ZINC000652363678 452544888 /nfs/dbraw/zinc/54/48/88/452544888.db2.gz KVPUFDAPCMZTFK-PMPSAXMXSA-N 2 1 333.480 1.865 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363571 452545779 /nfs/dbraw/zinc/54/57/79/452545779.db2.gz IFBPJFGDEJVHNR-RMMWZPCPSA-N 3 1 347.503 1.278 20 0 EDADMP OCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCOCC1 ZINC000655755240 452560667 /nfs/dbraw/zinc/56/06/67/452560667.db2.gz UUXYMGQQRDMCCT-MSOLQXFVSA-N 2 1 326.481 1.397 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1cccc(F)c1 ZINC000655771202 452569077 /nfs/dbraw/zinc/56/90/77/452569077.db2.gz COYGWNLQTCINQY-OALUTQOASA-N 2 1 336.451 1.962 20 0 EDADMP CSc1cccc(NC(=O)[C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647835325 452569807 /nfs/dbraw/zinc/56/98/07/452569807.db2.gz UQFXSVAWYBIADA-AWEZNQCLSA-N 2 1 336.505 1.573 20 0 EDADMP CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647835325 452569815 /nfs/dbraw/zinc/56/98/15/452569815.db2.gz UQFXSVAWYBIADA-AWEZNQCLSA-N 2 1 336.505 1.573 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H]1n1cccn1 ZINC000655771888 452570128 /nfs/dbraw/zinc/57/01/28/452570128.db2.gz QHRHEGLRKLPIBE-OKYOBFRVSA-N 2 1 348.491 1.835 20 0 EDADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)C1=O ZINC000666123827 452620177 /nfs/dbraw/zinc/62/01/77/452620177.db2.gz OACUKYDAOLVELC-PPLBCVRQSA-N 2 1 333.476 1.434 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901955 452643808 /nfs/dbraw/zinc/64/38/08/452643808.db2.gz XUZJVSNWKUZUAK-RDJZCZTQSA-N 2 1 344.459 1.578 20 0 EDADMP CO[C@](C)(C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000647911136 452650864 /nfs/dbraw/zinc/65/08/64/452650864.db2.gz SMILFOBDZHHIJY-LJQANCHMSA-N 2 1 337.508 1.678 20 0 EDADMP [NH3+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655958757 452738923 /nfs/dbraw/zinc/73/89/23/452738923.db2.gz OPFWBZFGXITVKT-HZPDHXFCSA-N 2 1 330.432 1.217 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650323 452744402 /nfs/dbraw/zinc/74/44/02/452744402.db2.gz DMMXIMUHQGCISI-MTSZKFMLSA-N 2 1 340.512 1.608 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650323 452744410 /nfs/dbraw/zinc/74/44/10/452744410.db2.gz DMMXIMUHQGCISI-MTSZKFMLSA-N 2 1 340.512 1.608 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650323 452744419 /nfs/dbraw/zinc/74/44/19/452744419.db2.gz DMMXIMUHQGCISI-MTSZKFMLSA-N 2 1 340.512 1.608 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650323 452744425 /nfs/dbraw/zinc/74/44/25/452744425.db2.gz DMMXIMUHQGCISI-MTSZKFMLSA-N 2 1 340.512 1.608 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652761 452754806 /nfs/dbraw/zinc/75/48/06/452754806.db2.gz QRXDZPMWZWQFCD-NQNKBUKLSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652761 452754808 /nfs/dbraw/zinc/75/48/08/452754808.db2.gz QRXDZPMWZWQFCD-NQNKBUKLSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652761 452754813 /nfs/dbraw/zinc/75/48/13/452754813.db2.gz QRXDZPMWZWQFCD-NQNKBUKLSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654652761 452754818 /nfs/dbraw/zinc/75/48/18/452754818.db2.gz QRXDZPMWZWQFCD-NQNKBUKLSA-N 2 1 338.496 1.220 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654660644 452775741 /nfs/dbraw/zinc/77/57/41/452775741.db2.gz ANPNABLTJNEIQB-IYBDPMFKSA-N 2 1 340.512 1.326 20 0 EDADMP CC1(C)CN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1CCO ZINC000656007123 452795627 /nfs/dbraw/zinc/79/56/27/452795627.db2.gz JFVISUQAKXMBJS-UHFFFAOYSA-N 2 1 340.512 1.351 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C[C@H](C)[N@@H+]1C ZINC000662143365 452879736 /nfs/dbraw/zinc/87/97/36/452879736.db2.gz QJORMPDFCWDJBX-JZXOWHBKSA-N 2 1 330.476 1.995 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@H](C)[NH+]1C ZINC000662143365 452879745 /nfs/dbraw/zinc/87/97/45/452879745.db2.gz QJORMPDFCWDJBX-JZXOWHBKSA-N 2 1 330.476 1.995 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@H](C)[NH+]1C ZINC000662143365 452879752 /nfs/dbraw/zinc/87/97/52/452879752.db2.gz QJORMPDFCWDJBX-JZXOWHBKSA-N 2 1 330.476 1.995 20 0 EDADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)NCC1CCCCC1 ZINC000662154936 452890839 /nfs/dbraw/zinc/89/08/39/452890839.db2.gz HQGIRBLHGGIBNH-SFHVURJKSA-N 2 1 337.508 1.604 20 0 EDADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)NCC1CCCCC1 ZINC000662154936 452890851 /nfs/dbraw/zinc/89/08/51/452890851.db2.gz HQGIRBLHGGIBNH-SFHVURJKSA-N 2 1 337.508 1.604 20 0 EDADMP CN(CCC[NH+](C)C)CCNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000664247487 452926920 /nfs/dbraw/zinc/92/69/20/452926920.db2.gz OMDWLVIZVWTECS-UHFFFAOYSA-N 2 1 345.373 1.619 20 0 EDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3-n3cncn3)C2)C1 ZINC000650706843 452945585 /nfs/dbraw/zinc/94/55/85/452945585.db2.gz UGFHQVSOLSAYRD-SCTDSRPQSA-N 2 1 341.459 1.986 20 0 EDADMP COCCCn1nccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708370 452945693 /nfs/dbraw/zinc/94/56/93/452945693.db2.gz YUSWIQXIWFUNMC-XYJFISCASA-N 2 1 336.480 1.638 20 0 EDADMP Clc1ccc(CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662257333 452984996 /nfs/dbraw/zinc/98/49/96/452984996.db2.gz CSJPZYTYMMKUAO-QGZVFWFLSA-N 2 1 335.879 1.979 20 0 EDADMP COCCOCC[N@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258862 452988412 /nfs/dbraw/zinc/98/84/12/452988412.db2.gz MXADHWYUBFZFDV-GOSISDBHSA-N 2 1 334.460 1.673 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N(C)CC3C[NH+](C)C3)CC2)nc(C)[nH+]1 ZINC000664328061 453002837 /nfs/dbraw/zinc/00/28/37/453002837.db2.gz PXSDMGYLMRBXGO-UHFFFAOYSA-N 2 1 346.479 1.265 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3c(cccc3C(N)=O)C2)CC1 ZINC000662298592 453020580 /nfs/dbraw/zinc/02/05/80/453020580.db2.gz OODOIOOHFHDUHG-UHFFFAOYSA-N 2 1 344.503 1.560 20 0 EDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H]1CCC[NH3+] ZINC000662315781 453032984 /nfs/dbraw/zinc/03/29/84/453032984.db2.gz VAFRXIWEVWESNW-BZUAXINKSA-N 2 1 331.526 1.497 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318676 453036484 /nfs/dbraw/zinc/03/64/84/453036484.db2.gz DIXZMCQBNMRIRF-ROUUACIJSA-N 2 1 336.476 1.777 20 0 EDADMP Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318676 453036491 /nfs/dbraw/zinc/03/64/91/453036491.db2.gz DIXZMCQBNMRIRF-ROUUACIJSA-N 2 1 336.476 1.777 20 0 EDADMP Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)[nH]1 ZINC000662335933 453053973 /nfs/dbraw/zinc/05/39/73/453053973.db2.gz BAMGJDBRDHUEBU-TZMCWYRMSA-N 2 1 344.467 1.186 20 0 EDADMP Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)[nH]1 ZINC000662335933 453053981 /nfs/dbraw/zinc/05/39/81/453053981.db2.gz BAMGJDBRDHUEBU-TZMCWYRMSA-N 2 1 344.467 1.186 20 0 EDADMP Cc1noc([C@@H](C)[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338507 453056670 /nfs/dbraw/zinc/05/66/70/453056670.db2.gz SJVBQTQCEMFEHM-TZMCWYRMSA-N 2 1 345.451 1.451 20 0 EDADMP Cc1noc([C@@H](C)[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338507 453056677 /nfs/dbraw/zinc/05/66/77/453056677.db2.gz SJVBQTQCEMFEHM-TZMCWYRMSA-N 2 1 345.451 1.451 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065456 453077547 /nfs/dbraw/zinc/07/75/47/453077547.db2.gz GXDIQUFBHQEYML-NJAFHUGGSA-N 2 1 333.476 1.766 20 0 EDADMP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065456 453077551 /nfs/dbraw/zinc/07/75/51/453077551.db2.gz GXDIQUFBHQEYML-NJAFHUGGSA-N 2 1 333.476 1.766 20 0 EDADMP CC[N@@H+]1CCc2nc(NC(=O)c3cn[nH]c3[C@H]3CC[NH2+]C3)sc2C1 ZINC000662367689 453078807 /nfs/dbraw/zinc/07/88/07/453078807.db2.gz MVWWAESPAUJGGJ-JTQLQIEISA-N 2 1 346.460 1.573 20 0 EDADMP CC[N@H+]1CCc2nc(NC(=O)c3cn[nH]c3[C@H]3CC[NH2+]C3)sc2C1 ZINC000662367689 453078812 /nfs/dbraw/zinc/07/88/12/453078812.db2.gz MVWWAESPAUJGGJ-JTQLQIEISA-N 2 1 346.460 1.573 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)COc1ccccc1F)CCO2 ZINC000646103629 453107234 /nfs/dbraw/zinc/10/72/34/453107234.db2.gz ZBEGLKHBKRSFLV-OAHLLOKOSA-N 2 1 338.423 1.362 20 0 EDADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)COc1ccccc1F)CCO2 ZINC000646103629 453107239 /nfs/dbraw/zinc/10/72/39/453107239.db2.gz ZBEGLKHBKRSFLV-OAHLLOKOSA-N 2 1 338.423 1.362 20 0 EDADMP COc1cccc(NC(=O)CC[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646106278 453108902 /nfs/dbraw/zinc/10/89/02/453108902.db2.gz YYZYITYAUDDWCN-UHFFFAOYSA-N 2 1 347.459 1.820 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000666770488 453133103 /nfs/dbraw/zinc/13/31/03/453133103.db2.gz CSKNONQEWOKFLF-MRXNPFEDSA-N 2 1 344.459 1.335 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662428541 453134911 /nfs/dbraw/zinc/13/49/11/453134911.db2.gz FMLFGYPSIAYTEO-CABCVRRESA-N 2 1 333.480 1.871 20 0 EDADMP [NH3+][C@H](c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)[C@H]1CCCO1 ZINC000656468777 453205733 /nfs/dbraw/zinc/20/57/33/453205733.db2.gz SHNVEGOQWDVPGA-BHIYHBOVSA-N 2 1 341.459 1.979 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000664571537 453205870 /nfs/dbraw/zinc/20/58/70/453205870.db2.gz CEFNDFGVURBQPV-JYJNAYRXSA-N 2 1 328.501 1.373 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000664571537 453205888 /nfs/dbraw/zinc/20/58/88/453205888.db2.gz CEFNDFGVURBQPV-JYJNAYRXSA-N 2 1 328.501 1.373 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000666926556 453252766 /nfs/dbraw/zinc/25/27/66/453252766.db2.gz SROLMDXLQNDXGU-KRWDZBQOSA-N 2 1 333.480 1.639 20 0 EDADMP C[C@@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000651091525 453260955 /nfs/dbraw/zinc/26/09/55/453260955.db2.gz JDBYZLQNKVFRAE-ZTFGCOKTSA-N 2 1 346.475 1.138 20 0 EDADMP C[C@@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000651091525 453260964 /nfs/dbraw/zinc/26/09/64/453260964.db2.gz JDBYZLQNKVFRAE-ZTFGCOKTSA-N 2 1 346.475 1.138 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662560420 453287760 /nfs/dbraw/zinc/28/77/60/453287760.db2.gz FOAHVHZKMKZBJF-XDTLVQLUSA-N 2 1 326.238 1.706 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000653106679 453289890 /nfs/dbraw/zinc/28/98/90/453289890.db2.gz IGIRAMBYMZEHAG-SFHVURJKSA-N 2 1 331.460 1.525 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)CC3([NH3+])CCC3)cc2)CC1 ZINC000646294541 453294901 /nfs/dbraw/zinc/29/49/01/453294901.db2.gz MIDJPRVLVHFFFM-UHFFFAOYSA-N 2 1 344.459 1.561 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000666978308 453298252 /nfs/dbraw/zinc/29/82/52/453298252.db2.gz WJVBGVXJAPNMOI-SJORKVTESA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[N@H+]1Cc1ccccc1 ZINC000653122341 453312446 /nfs/dbraw/zinc/31/24/46/453312446.db2.gz UFWUDDOHOLGGGD-XZKMEQPCSA-N 2 1 329.444 1.002 20 0 EDADMP COC1CC[NH+](CCNC(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC000651192957 453342959 /nfs/dbraw/zinc/34/29/59/453342959.db2.gz GXGQKBPUHNSZEB-UHFFFAOYSA-N 2 1 328.501 1.374 20 0 EDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000653156272 453347689 /nfs/dbraw/zinc/34/76/89/453347689.db2.gz WSBRCTWNWZIBNP-OALUTQOASA-N 2 1 345.487 1.783 20 0 EDADMP C[NH+](C)CCOCCNC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000664732791 453361002 /nfs/dbraw/zinc/36/10/02/453361002.db2.gz ZZWVDISNTHUADS-KRWDZBQOSA-N 2 1 334.464 1.138 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000662658213 453370615 /nfs/dbraw/zinc/37/06/15/453370615.db2.gz CFSIYYHNHXKZJY-QZTJIDSGSA-N 2 1 331.460 1.140 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])c1ccccc1Cl ZINC000662664286 453378184 /nfs/dbraw/zinc/37/81/84/453378184.db2.gz QRQQYHNCZNVPQI-BPLDGKMQSA-N 2 1 325.840 1.423 20 0 EDADMP CC[N@@H+](CCCNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)C1CCCCC1 ZINC000653200443 453392823 /nfs/dbraw/zinc/39/28/23/453392823.db2.gz FFBBXMQNWZGMKJ-ALOPSCKCSA-N 2 1 349.519 1.962 20 0 EDADMP C[N@@H+](CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C1CCCCC1 ZINC000662680864 453399471 /nfs/dbraw/zinc/39/94/71/453399471.db2.gz MRMAIMBSYPDPON-MRXNPFEDSA-N 2 1 348.495 1.587 20 0 EDADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000662699387 453420505 /nfs/dbraw/zinc/42/05/05/453420505.db2.gz QDVMLOISKKZFLA-IMJJTQAJSA-N 2 1 337.489 1.440 20 0 EDADMP CC(C)[C@@H](C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000646476476 453423471 /nfs/dbraw/zinc/42/34/71/453423471.db2.gz SFEDLUFCITYHIA-MTSZKFMLSA-N 2 1 325.497 1.671 20 0 EDADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655866 453493312 /nfs/dbraw/zinc/49/33/12/453493312.db2.gz JHWPKTLDYWTTFL-HZPDHXFCSA-N 2 1 329.510 1.076 20 0 EDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655866 453493323 /nfs/dbraw/zinc/49/33/23/453493323.db2.gz JHWPKTLDYWTTFL-HZPDHXFCSA-N 2 1 329.510 1.076 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655866 453493327 /nfs/dbraw/zinc/49/33/27/453493327.db2.gz JHWPKTLDYWTTFL-HZPDHXFCSA-N 2 1 329.510 1.076 20 0 EDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655866 453493338 /nfs/dbraw/zinc/49/33/38/453493338.db2.gz JHWPKTLDYWTTFL-HZPDHXFCSA-N 2 1 329.510 1.076 20 0 EDADMP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000655443679 453530088 /nfs/dbraw/zinc/53/00/88/453530088.db2.gz UIQSGCQFOZUWEA-AZUAARDMSA-N 2 1 327.472 1.763 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445826 453534386 /nfs/dbraw/zinc/53/43/86/453534386.db2.gz OWOMUGBQXGFVLL-AZUAARDMSA-N 2 1 343.471 1.890 20 0 EDADMP OC[C@]1(O)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000656909512 453544323 /nfs/dbraw/zinc/54/43/23/453544323.db2.gz WJHLMGJIFQRMJR-IBGZPJMESA-N 2 1 334.460 1.480 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000660750105 453559802 /nfs/dbraw/zinc/55/98/02/453559802.db2.gz AQLQVVIHELZUTI-FGTMMUONSA-N 2 1 336.524 1.251 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C1CC1)C1(CO)CCC1)c1ccccc1 ZINC000660773364 453571193 /nfs/dbraw/zinc/57/11/93/453571193.db2.gz WDPZLUHZGSUWHX-SFHVURJKSA-N 2 1 345.487 1.785 20 0 EDADMP [NH3+]Cc1ccc(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000662860708 453576764 /nfs/dbraw/zinc/57/67/64/453576764.db2.gz UOHSUUZLGJXBHQ-IBGZPJMESA-N 2 1 339.439 1.642 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1C ZINC000659038602 453593446 /nfs/dbraw/zinc/59/34/46/453593446.db2.gz TVOJDLRRQSRLDX-KEYYUXOJSA-N 2 1 332.448 1.904 20 0 EDADMP CN(C(=O)[C@@H](C[NH3+])c1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900952 453595189 /nfs/dbraw/zinc/59/51/89/453595189.db2.gz QQUGVNRMIAGQHL-OALUTQOASA-N 2 1 344.503 1.356 20 0 EDADMP CN(C(=O)[C@@H](C[NH3+])c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900952 453595192 /nfs/dbraw/zinc/59/51/92/453595192.db2.gz QQUGVNRMIAGQHL-OALUTQOASA-N 2 1 344.503 1.356 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C[C@@H](O)C[NH+](C)C(C)C)CC2)CC1 ZINC000660834042 453596018 /nfs/dbraw/zinc/59/60/18/453596018.db2.gz KMYACFQWRQDTGO-IBGZPJMESA-N 2 1 340.556 1.180 20 0 EDADMP CCN1CCC([NH+]2CCCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)CC1 ZINC000660834042 453596023 /nfs/dbraw/zinc/59/60/23/453596023.db2.gz KMYACFQWRQDTGO-IBGZPJMESA-N 2 1 340.556 1.180 20 0 EDADMP CCN1CCC([NH+]2CCCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC000660834042 453596028 /nfs/dbraw/zinc/59/60/28/453596028.db2.gz KMYACFQWRQDTGO-IBGZPJMESA-N 2 1 340.556 1.180 20 0 EDADMP CC[NH+]1CCC(N2CCCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)CC1 ZINC000660834042 453596034 /nfs/dbraw/zinc/59/60/34/453596034.db2.gz KMYACFQWRQDTGO-IBGZPJMESA-N 2 1 340.556 1.180 20 0 EDADMP CC[NH+]1CCC(N2CCCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC000660834042 453596038 /nfs/dbraw/zinc/59/60/38/453596038.db2.gz KMYACFQWRQDTGO-IBGZPJMESA-N 2 1 340.556 1.180 20 0 EDADMP C[C@]([NH3+])(C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ccccc1 ZINC000662913219 453599878 /nfs/dbraw/zinc/59/98/78/453599878.db2.gz OFNSHMXFMCZFFG-ZHALLVOQSA-N 2 1 343.471 1.620 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000662939349 453614885 /nfs/dbraw/zinc/61/48/85/453614885.db2.gz FAALPYDPLALGQW-QRQLOZEOSA-N 2 1 344.503 1.307 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000662939349 453614891 /nfs/dbraw/zinc/61/48/91/453614891.db2.gz FAALPYDPLALGQW-QRQLOZEOSA-N 2 1 344.503 1.307 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH2+]CC)c2)C1 ZINC000659104257 453637074 /nfs/dbraw/zinc/63/70/74/453637074.db2.gz ZFFIJOKIRUJBBR-INIZCTEOSA-N 2 1 332.448 1.335 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657035160 453637440 /nfs/dbraw/zinc/63/74/40/453637440.db2.gz QVLLGOAVDYXXDZ-OAHLLOKOSA-N 2 1 339.505 1.899 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657035160 453637442 /nfs/dbraw/zinc/63/74/42/453637442.db2.gz QVLLGOAVDYXXDZ-OAHLLOKOSA-N 2 1 339.505 1.899 20 0 EDADMP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc2c(c1)OCCO2 ZINC000665291036 453638645 /nfs/dbraw/zinc/63/86/45/453638645.db2.gz RZHUXMJGDPRUKN-CYBMUJFWSA-N 2 1 330.388 1.653 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000665363870 453668587 /nfs/dbraw/zinc/66/85/87/453668587.db2.gz DNPFXIMCRHELQL-HNNXBMFYSA-N 2 1 340.512 1.394 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)C1 ZINC000659283923 453699593 /nfs/dbraw/zinc/69/95/93/453699593.db2.gz AXFFTMMKLJLSHY-CQSZACIVSA-N 2 1 342.447 1.721 20 0 EDADMP O=C(NC[C@@H]1CCC[NH2+]1)c1sc2c(c1Br)C[NH2+]C2 ZINC000659293085 453705171 /nfs/dbraw/zinc/70/51/71/453705171.db2.gz COFKEQQKZYTDGM-ZETCQYMHSA-N 2 1 330.251 1.596 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC[C@H]1F ZINC000659389240 453736395 /nfs/dbraw/zinc/73/63/95/453736395.db2.gz QKRAGIKLPNAFAJ-BZUAXINKSA-N 2 1 337.464 1.674 20 0 EDADMP OC1CC[NH+](CCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657327895 453766873 /nfs/dbraw/zinc/76/68/73/453766873.db2.gz ZKRNMWIAXGCTCX-LJQANCHMSA-N 2 1 334.460 1.791 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000671307932 486651122 /nfs/dbraw/zinc/65/11/22/486651122.db2.gz ZDFUYPBYBPJOFV-IRXDYDNUSA-N 2 1 335.492 1.514 20 0 EDADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000680515266 486797517 /nfs/dbraw/zinc/79/75/17/486797517.db2.gz UYAULHTWOACBAT-LZWOXQAQSA-N 2 1 326.485 1.077 20 0 EDADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000680515266 486797520 /nfs/dbraw/zinc/79/75/20/486797520.db2.gz UYAULHTWOACBAT-LZWOXQAQSA-N 2 1 326.485 1.077 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000387736722 486815426 /nfs/dbraw/zinc/81/54/26/486815426.db2.gz WEFKGDURTKWPDQ-ZDUSSCGKSA-N 2 1 325.453 1.705 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000683910686 486862077 /nfs/dbraw/zinc/86/20/77/486862077.db2.gz KXNMYDBXFLQARX-HKUYNNGSSA-N 2 1 333.476 1.595 20 0 EDADMP C[N@@H+](CCCc1nc(-c2cccs2)no1)CCN1CC[NH2+]CC1 ZINC000320752977 486957868 /nfs/dbraw/zinc/95/78/68/486957868.db2.gz QTVPWOOORZJXSA-UHFFFAOYSA-N 2 1 335.477 1.568 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](CCO)C1)c1ccccc1 ZINC000681208294 486973304 /nfs/dbraw/zinc/97/33/04/486973304.db2.gz DEYYBQFUCODQPW-WMZOPIPTSA-N 2 1 333.476 1.500 20 0 EDADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673512682 487031627 /nfs/dbraw/zinc/03/16/27/487031627.db2.gz MAFLENLQXROBCX-RBUKOAKNSA-N 2 1 343.471 1.564 20 0 EDADMP C[NH+]1CCC([C@H]2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC000677332253 487046163 /nfs/dbraw/zinc/04/61/63/487046163.db2.gz ARDSVRYRJUIJCP-ROUUACIJSA-N 2 1 334.508 1.844 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000673640685 487073976 /nfs/dbraw/zinc/07/39/76/487073976.db2.gz JTFKPAFEXKCTTQ-HBFSDRIKSA-N 2 1 343.471 1.366 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000673640685 487073982 /nfs/dbraw/zinc/07/39/82/487073982.db2.gz JTFKPAFEXKCTTQ-HBFSDRIKSA-N 2 1 343.471 1.366 20 0 EDADMP Cn1cc([C@@H]2C[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]2CO)cn1 ZINC000668069696 487088696 /nfs/dbraw/zinc/08/86/96/487088696.db2.gz YJLVQRAMESEWGM-YJBOKZPZSA-N 2 1 338.415 1.209 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]2CO)cn1 ZINC000668069696 487088699 /nfs/dbraw/zinc/08/86/99/487088699.db2.gz YJLVQRAMESEWGM-YJBOKZPZSA-N 2 1 338.415 1.209 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(C)CCC1 ZINC000684842028 487175380 /nfs/dbraw/zinc/17/53/80/487175380.db2.gz ZRVNZEPRBSRATO-INIZCTEOSA-N 2 1 345.553 1.854 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(C)CCC1 ZINC000684842028 487175382 /nfs/dbraw/zinc/17/53/82/487175382.db2.gz ZRVNZEPRBSRATO-INIZCTEOSA-N 2 1 345.553 1.854 20 0 EDADMP C[C@H](Cc1cnn(C)c1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000678143532 487257015 /nfs/dbraw/zinc/25/70/15/487257015.db2.gz KSMZPPDUAQSRQV-VQIMIIECSA-N 2 1 328.460 1.578 20 0 EDADMP C[C@H](Cc1cnn(C)c1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000678143532 487257020 /nfs/dbraw/zinc/25/70/20/487257020.db2.gz KSMZPPDUAQSRQV-VQIMIIECSA-N 2 1 328.460 1.578 20 0 EDADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]C2CSC2)c1 ZINC000679840703 487467984 /nfs/dbraw/zinc/46/79/84/487467984.db2.gz DQEXHPCKXDGDRH-UHFFFAOYSA-N 2 1 335.473 1.552 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1C ZINC000669522744 485490721 /nfs/dbraw/zinc/49/07/21/485490721.db2.gz HJJICKNUNAYSPS-GJZGRUSLSA-N 2 1 348.495 1.407 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000668962998 485499293 /nfs/dbraw/zinc/49/92/93/485499293.db2.gz MSPRHPCNVCKBKV-KFWWJZLASA-N 2 1 326.485 1.316 20 0 EDADMP Cc1ncc(C[N@@H+](C)CCCN2C(=O)c3ccccc3C2=O)n1C ZINC000668250909 485513796 /nfs/dbraw/zinc/51/37/96/485513796.db2.gz HPXVZRZZZNEONK-UHFFFAOYSA-N 2 1 326.400 1.847 20 0 EDADMP Cc1ncc(CN(C)CCCN2C(=O)c3ccccc3C2=O)n1C ZINC000668250909 485513802 /nfs/dbraw/zinc/51/38/02/485513802.db2.gz HPXVZRZZZNEONK-UHFFFAOYSA-N 2 1 326.400 1.847 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000669545916 485533936 /nfs/dbraw/zinc/53/39/36/485533936.db2.gz YIKPMJQTKYCSHB-PQEBFOHHSA-N 2 1 332.448 1.189 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)NC/C=C/C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000669554180 485553219 /nfs/dbraw/zinc/55/32/19/485553219.db2.gz NNOSJIABUXGYMG-QBAOTHAWSA-N 2 1 344.459 1.787 20 0 EDADMP C[C@@H](NC(=O)NCC[NH2+]C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000669554897 485554415 /nfs/dbraw/zinc/55/44/15/485554415.db2.gz UOBTVUITLIMNMJ-WBVHZDCISA-N 2 1 330.476 1.948 20 0 EDADMP C[C@@H](NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000085424513 491189353 /nfs/dbraw/zinc/18/93/53/491189353.db2.gz BGCUDGLKMYZVPT-HZPDHXFCSA-N 2 1 340.512 1.469 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)[N@H+](C)C1 ZINC000458208812 485665830 /nfs/dbraw/zinc/66/58/30/485665830.db2.gz KDRQMQSXSLXPBZ-HOTGVXAUSA-N 2 1 335.448 1.593 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)[N@@H+](C)C1 ZINC000458208812 485665840 /nfs/dbraw/zinc/66/58/40/485665840.db2.gz KDRQMQSXSLXPBZ-HOTGVXAUSA-N 2 1 335.448 1.593 20 0 EDADMP C[C@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000325365279 485702287 /nfs/dbraw/zinc/70/22/87/485702287.db2.gz QSXRGRJMNZDZFI-SZMVWBNQSA-N 2 1 331.460 1.646 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000668451548 485770603 /nfs/dbraw/zinc/77/06/03/485770603.db2.gz JVEYNBFJKBEMAJ-KRWDZBQOSA-N 2 1 329.448 1.741 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000669418545 486137889 /nfs/dbraw/zinc/13/78/89/486137889.db2.gz YWFMIOXXQAHYSQ-SUMDDJOVSA-N 2 1 342.487 1.827 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669498377 486274309 /nfs/dbraw/zinc/27/43/09/486274309.db2.gz KAMGEAWHAABFHY-DLBZAZTESA-N 2 1 340.512 1.376 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CCC2)c1ccccc1 ZINC000670406109 486449417 /nfs/dbraw/zinc/44/94/17/486449417.db2.gz GTOVHBIGPABWKY-ZWKOTPCHSA-N 2 1 330.476 1.186 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccccc1 ZINC000670406109 486449420 /nfs/dbraw/zinc/44/94/20/486449420.db2.gz GTOVHBIGPABWKY-ZWKOTPCHSA-N 2 1 330.476 1.186 20 0 EDADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)c1ccccc1 ZINC000670406109 486449425 /nfs/dbraw/zinc/44/94/25/486449425.db2.gz GTOVHBIGPABWKY-ZWKOTPCHSA-N 2 1 330.476 1.186 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000092217888 491202789 /nfs/dbraw/zinc/20/27/89/491202789.db2.gz NDHZSVLPYNGTPF-LJQANCHMSA-N 2 1 347.503 1.924 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000080700714 491174083 /nfs/dbraw/zinc/17/40/83/491174083.db2.gz XCYHIVTUQBBTPJ-QGZVFWFLSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000080700714 491174086 /nfs/dbraw/zinc/17/40/86/491174086.db2.gz XCYHIVTUQBBTPJ-QGZVFWFLSA-N 2 1 338.496 1.223 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174560379 534341457 /nfs/dbraw/zinc/34/14/57/534341457.db2.gz GUDCVMIUVOIRDL-SFHVURJKSA-N 2 1 337.508 1.823 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000237133413 536457329 /nfs/dbraw/zinc/45/73/29/536457329.db2.gz UVEYBJPVSFPTJF-SFHVURJKSA-N 2 1 330.476 1.258 20 0 EDADMP CC(C)[NH+](CCNC(=O)NC[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000155105860 528904802 /nfs/dbraw/zinc/90/48/02/528904802.db2.gz YLAWMPRUNKVWKI-INIZCTEOSA-N 2 1 328.501 1.373 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000129401350 528977476 /nfs/dbraw/zinc/97/74/76/528977476.db2.gz JMQKVDMZNASQSY-DOTOQJQBSA-N 2 1 333.480 1.367 20 0 EDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000247091032 534946056 /nfs/dbraw/zinc/94/60/56/534946056.db2.gz PKQYDIXQEWPQOC-CABCVRRESA-N 2 1 339.505 1.977 20 0 EDADMP CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000236821819 535045455 /nfs/dbraw/zinc/04/54/55/535045455.db2.gz GBOIZOWTGZTESX-IBGZPJMESA-N 2 1 346.519 1.958 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000332932031 535132191 /nfs/dbraw/zinc/13/21/91/535132191.db2.gz GWSOWYPPVUYFEF-HOTGVXAUSA-N 2 1 333.480 1.723 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000332932031 535132196 /nfs/dbraw/zinc/13/21/96/535132196.db2.gz GWSOWYPPVUYFEF-HOTGVXAUSA-N 2 1 333.480 1.723 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346885063 535221676 /nfs/dbraw/zinc/22/16/76/535221676.db2.gz YAYAASHMIVHHPH-NEWSRXKRSA-N 2 1 345.487 1.732 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346885063 535221678 /nfs/dbraw/zinc/22/16/78/535221678.db2.gz YAYAASHMIVHHPH-NEWSRXKRSA-N 2 1 345.487 1.732 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346885063 535221680 /nfs/dbraw/zinc/22/16/80/535221680.db2.gz YAYAASHMIVHHPH-NEWSRXKRSA-N 2 1 345.487 1.732 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000346885063 535221688 /nfs/dbraw/zinc/22/16/88/535221688.db2.gz YAYAASHMIVHHPH-NEWSRXKRSA-N 2 1 345.487 1.732 20 0 EDADMP CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000339522388 535468613 /nfs/dbraw/zinc/46/86/13/535468613.db2.gz XZUDYWPMAAQEDC-GJZGRUSLSA-N 2 1 340.512 1.658 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](c2nc(C[C@@H](C)[NH2+]C)no2)CC1=O ZINC000261902962 535555334 /nfs/dbraw/zinc/55/53/34/535555334.db2.gz YTDZVUFHKILHFW-MGPQQGTHSA-N 2 1 335.452 1.020 20 0 EDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000089896945 535614023 /nfs/dbraw/zinc/61/40/23/535614023.db2.gz LHCYXKKURRUFGO-MSOLQXFVSA-N 2 1 337.508 1.556 20 0 EDADMP CC[NH+]1CCN(CCC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000347386658 535679684 /nfs/dbraw/zinc/67/96/84/535679684.db2.gz UJXAOBNOTIMSEO-SFHVURJKSA-N 2 1 336.524 1.204 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000347386658 535679689 /nfs/dbraw/zinc/67/96/89/535679689.db2.gz UJXAOBNOTIMSEO-SFHVURJKSA-N 2 1 336.524 1.204 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000347386658 535679694 /nfs/dbraw/zinc/67/96/94/535679694.db2.gz UJXAOBNOTIMSEO-SFHVURJKSA-N 2 1 336.524 1.204 20 0 EDADMP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000264328124 535755512 /nfs/dbraw/zinc/75/55/12/535755512.db2.gz RWJRXLDJKVYHMF-INIZCTEOSA-N 2 1 345.491 1.902 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247081598 535763206 /nfs/dbraw/zinc/76/32/06/535763206.db2.gz QLAFJVIXVBPEPO-WDSOQIARSA-N 2 1 345.487 1.876 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247081598 535763211 /nfs/dbraw/zinc/76/32/11/535763211.db2.gz QLAFJVIXVBPEPO-WDSOQIARSA-N 2 1 345.487 1.876 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247081598 535763215 /nfs/dbraw/zinc/76/32/15/535763215.db2.gz QLAFJVIXVBPEPO-WDSOQIARSA-N 2 1 345.487 1.876 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247081598 535763216 /nfs/dbraw/zinc/76/32/16/535763216.db2.gz QLAFJVIXVBPEPO-WDSOQIARSA-N 2 1 345.487 1.876 20 0 EDADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000245420934 535771737 /nfs/dbraw/zinc/77/17/37/535771737.db2.gz HSABFAPVWMSTMV-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000245420934 535771741 /nfs/dbraw/zinc/77/17/41/535771741.db2.gz HSABFAPVWMSTMV-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000245420934 535771745 /nfs/dbraw/zinc/77/17/45/535771745.db2.gz HSABFAPVWMSTMV-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000245420934 535771747 /nfs/dbraw/zinc/77/17/47/535771747.db2.gz HSABFAPVWMSTMV-RTBURBONSA-N 2 1 345.487 1.688 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH+](C)CCN2C)cc1)C1CC1 ZINC000347881162 535782707 /nfs/dbraw/zinc/78/27/07/535782707.db2.gz INBDTUIIDLYYGN-LJQANCHMSA-N 2 1 344.503 1.647 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1)C1CC1 ZINC000347881162 535782709 /nfs/dbraw/zinc/78/27/09/535782709.db2.gz INBDTUIIDLYYGN-LJQANCHMSA-N 2 1 344.503 1.647 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1)C1CC1 ZINC000347881162 535782710 /nfs/dbraw/zinc/78/27/10/535782710.db2.gz INBDTUIIDLYYGN-LJQANCHMSA-N 2 1 344.503 1.647 20 0 EDADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000262105929 536303511 /nfs/dbraw/zinc/30/35/11/536303511.db2.gz MHKYHQVPXFVGKD-LJQANCHMSA-N 3 1 344.503 1.262 20 0 EDADMP C[NH+](CCC(=O)N1CC[NH2+]CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262105929 536303514 /nfs/dbraw/zinc/30/35/14/536303514.db2.gz MHKYHQVPXFVGKD-LJQANCHMSA-N 3 1 344.503 1.262 20 0 EDADMP C[NH+](CCC(=O)N1CC[NH2+]CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262105929 536303516 /nfs/dbraw/zinc/30/35/16/536303516.db2.gz MHKYHQVPXFVGKD-LJQANCHMSA-N 3 1 344.503 1.262 20 0 EDADMP C[NH2+][C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1cnn(C)c1 ZINC000262401142 536334811 /nfs/dbraw/zinc/33/48/11/536334811.db2.gz PMZZABCDTDDLCC-GOSISDBHSA-N 2 1 347.507 1.795 20 0 EDADMP C[NH2+][C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1cnn(C)c1 ZINC000262401142 536334814 /nfs/dbraw/zinc/33/48/14/536334814.db2.gz PMZZABCDTDDLCC-GOSISDBHSA-N 2 1 347.507 1.795 20 0 EDADMP C[NH+](CCCn1ccnc1)CCOCC[N@@H+](C)CCCn1ccnc1 ZINC000271696493 536362660 /nfs/dbraw/zinc/36/26/60/536362660.db2.gz MTQCOOHWKWLIQF-UHFFFAOYSA-N 2 1 348.495 1.440 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)C2)C1 ZINC000333314313 536393275 /nfs/dbraw/zinc/39/32/75/536393275.db2.gz MBORKCPPNMVQRM-KXBFYZLASA-N 2 1 343.475 1.847 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000237225438 536451915 /nfs/dbraw/zinc/45/19/15/536451915.db2.gz MMURMQJBYUMMNR-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000237225438 536451919 /nfs/dbraw/zinc/45/19/19/536451919.db2.gz MMURMQJBYUMMNR-RBUKOAKNSA-N 2 1 345.487 1.736 20 0 EDADMP COC[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261540648 536658000 /nfs/dbraw/zinc/65/80/00/536658000.db2.gz AIEGXGWLNUEYEO-HKUYNNGSSA-N 2 1 331.460 1.393 20 0 EDADMP COc1cc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ccc1C ZINC000261753647 536749447 /nfs/dbraw/zinc/74/94/47/536749447.db2.gz CJQNEBHSBLMGPE-QGZVFWFLSA-N 2 1 331.460 1.647 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247195865 536797796 /nfs/dbraw/zinc/79/77/96/536797796.db2.gz VZRDPUDSRPIFBW-IEBWSBKVSA-N 2 1 334.508 1.850 20 0 EDADMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)ccc1OCC(F)(F)F ZINC000263133384 536802197 /nfs/dbraw/zinc/80/21/97/536802197.db2.gz BWFVJVIVKUKUTH-RYUDHWBXSA-N 2 1 334.338 1.306 20 0 EDADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000743380093 579478385 /nfs/dbraw/zinc/47/83/85/579478385.db2.gz FBWTXCFYPUWRBS-GJZGRUSLSA-N 2 1 336.480 1.861 20 0 EDADMP C[NH+](C)CC1CC[NH+](C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000727931721 578541243 /nfs/dbraw/zinc/54/12/43/578541243.db2.gz PXLWVMKXZPOYRF-KRWDZBQOSA-N 2 1 340.489 1.397 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H](C)C[NH+](CC)CC)CC[N@H+]1CCOC ZINC000347065588 578645926 /nfs/dbraw/zinc/64/59/26/578645926.db2.gz IUJBFUKNEUQSSI-SJORKVTESA-N 2 1 342.528 1.859 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=S)NCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000760483657 580031816 /nfs/dbraw/zinc/03/18/16/580031816.db2.gz BZTYBEGOMXVOMO-HOCLYGCPSA-N 2 1 326.554 1.865 20 0 EDADMP CN(C(=O)NCc1ccnc(-n2ccnc2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732460701 578713858 /nfs/dbraw/zinc/71/38/58/578713858.db2.gz SNALGYAYOQGYOX-MRXNPFEDSA-N 2 1 340.431 1.645 20 0 EDADMP CN(C(=O)CCCn1cccn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732559258 578717853 /nfs/dbraw/zinc/71/78/53/578717853.db2.gz JPTSJBNELXCQIZ-KRWDZBQOSA-N 2 1 333.480 1.290 20 0 EDADMP CN(C(=O)/C=C\c1cnn(C)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732559780 578717892 /nfs/dbraw/zinc/71/78/92/578717892.db2.gz RANKQSCCVQUWDQ-VGOKWCNXSA-N 2 1 331.464 1.060 20 0 EDADMP Cc1nc2c(cnn2C)c(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000733893979 578789094 /nfs/dbraw/zinc/78/90/94/578789094.db2.gz RGBRAQITGVNHFY-OAHLLOKOSA-N 2 1 343.479 1.276 20 0 EDADMP Cc1nc2c(cnn2C)c(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000733893979 578789096 /nfs/dbraw/zinc/78/90/96/578789096.db2.gz RGBRAQITGVNHFY-OAHLLOKOSA-N 2 1 343.479 1.276 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734280480 578805032 /nfs/dbraw/zinc/80/50/32/578805032.db2.gz LMSKKZCPFODDRG-NVXWUHKLSA-N 2 1 336.480 1.166 20 0 EDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000735874511 578931524 /nfs/dbraw/zinc/93/15/24/578931524.db2.gz FOTWZAIBPXAUPF-ZDUSSCGKSA-N 2 1 340.435 1.334 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000735874511 578931525 /nfs/dbraw/zinc/93/15/25/578931525.db2.gz FOTWZAIBPXAUPF-ZDUSSCGKSA-N 2 1 340.435 1.334 20 0 EDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736759528 579018221 /nfs/dbraw/zinc/01/82/21/579018221.db2.gz UCDZLNLSOXTWMQ-CYBMUJFWSA-N 2 1 343.435 1.079 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000750852115 579783900 /nfs/dbraw/zinc/78/39/00/579783900.db2.gz JHKWPKVSTGDJFD-UHFFFAOYSA-N 2 1 331.460 1.621 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000751384656 579804035 /nfs/dbraw/zinc/80/40/35/579804035.db2.gz DQYSXLIFKJUCOI-LJQANCHMSA-N 2 1 345.487 1.737 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000751384656 579804036 /nfs/dbraw/zinc/80/40/36/579804036.db2.gz DQYSXLIFKJUCOI-LJQANCHMSA-N 2 1 345.487 1.737 20 0 EDADMP CN(C(=O)CC[NH+]1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000762547779 580077105 /nfs/dbraw/zinc/07/71/05/580077105.db2.gz MSZLMCMFQMMOMY-SFHVURJKSA-N 2 1 331.460 1.442 20 0 EDADMP CN(C(=O)CC[NH+]1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000762547779 580077106 /nfs/dbraw/zinc/07/71/06/580077106.db2.gz MSZLMCMFQMMOMY-SFHVURJKSA-N 2 1 331.460 1.442 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NC2CCCCC2)C1 ZINC000779644981 580492462 /nfs/dbraw/zinc/49/24/62/580492462.db2.gz DVNMSFVQMVDIQN-AWEZNQCLSA-N 2 1 326.441 1.043 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NC2CCCCC2)C1 ZINC000779644981 580492463 /nfs/dbraw/zinc/49/24/63/580492463.db2.gz DVNMSFVQMVDIQN-AWEZNQCLSA-N 2 1 326.441 1.043 20 0 EDADMP COC(=O)c1oc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)cc1C ZINC000779650613 580492964 /nfs/dbraw/zinc/49/29/64/580492964.db2.gz CLWWJVKUWPFSBA-ZDUSSCGKSA-N 2 1 339.392 1.482 20 0 EDADMP COC(=O)c1oc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)cc1C ZINC000779650613 580492965 /nfs/dbraw/zinc/49/29/65/580492965.db2.gz CLWWJVKUWPFSBA-ZDUSSCGKSA-N 2 1 339.392 1.482 20 0 EDADMP CCN(C(=O)CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1)c1ccccc1 ZINC000779656347 580493748 /nfs/dbraw/zinc/49/37/48/580493748.db2.gz XMRVAGRZZUIYSW-MRXNPFEDSA-N 2 1 348.447 1.647 20 0 EDADMP CCN(C(=O)CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1)c1ccccc1 ZINC000779656347 580493749 /nfs/dbraw/zinc/49/37/49/580493749.db2.gz XMRVAGRZZUIYSW-MRXNPFEDSA-N 2 1 348.447 1.647 20 0 EDADMP C[C@H](C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000780947172 580538493 /nfs/dbraw/zinc/53/84/93/580538493.db2.gz SMRJGRMJEZTNIX-BQULAQKPSA-N 2 1 337.508 1.958 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786792413 580679408 /nfs/dbraw/zinc/67/94/08/580679408.db2.gz IFCOPAMNKBYVQS-OAHLLOKOSA-N 2 1 334.464 1.835 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cncc(Cl)n2)CC1 ZINC000790329576 580766852 /nfs/dbraw/zinc/76/68/52/580766852.db2.gz FQCLHQRSZZPQST-UHFFFAOYSA-N 2 1 332.795 1.529 20 0 EDADMP CC1(C)OC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)O1 ZINC000893046127 590633497 /nfs/dbraw/zinc/63/34/97/590633497.db2.gz DJVMNHYDPFWGJB-BZSNNMDCSA-N 2 1 334.460 1.611 20 0 EDADMP CC1(C)OC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)O1 ZINC000893046127 590633499 /nfs/dbraw/zinc/63/34/99/590633499.db2.gz DJVMNHYDPFWGJB-BZSNNMDCSA-N 2 1 334.460 1.611 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@@H](O)C3CC3)CC2)CC1 ZINC000890718241 590725877 /nfs/dbraw/zinc/72/58/77/590725877.db2.gz QKCACCPBTQRGGH-GOSISDBHSA-N 2 1 337.508 1.460 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000892013203 590744197 /nfs/dbraw/zinc/74/41/97/590744197.db2.gz CRRWSDJLPXXSCH-MSOLQXFVSA-N 2 1 346.475 1.247 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000892013203 590744200 /nfs/dbraw/zinc/74/42/00/590744200.db2.gz CRRWSDJLPXXSCH-MSOLQXFVSA-N 2 1 346.475 1.247 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccc(F)cc1 ZINC000892173040 590843968 /nfs/dbraw/zinc/84/39/68/590843968.db2.gz QRKMILFKMFOYNA-UXLLHSPISA-N 2 1 334.439 1.631 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000892252151 590887681 /nfs/dbraw/zinc/88/76/81/590887681.db2.gz FSPNNENCYRIAIL-MKXGPGLRSA-N 2 1 342.487 1.868 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3C[NH+](C)C[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC000893622469 591015486 /nfs/dbraw/zinc/01/54/86/591015486.db2.gz SQKAOEJHLSSFGO-BVBHFADKSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)C[NH+]1Cc1ccccc1 ZINC000893622469 591015489 /nfs/dbraw/zinc/01/54/89/591015489.db2.gz SQKAOEJHLSSFGO-BVBHFADKSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)C[NH+]1Cc1ccccc1 ZINC000893622469 591015494 /nfs/dbraw/zinc/01/54/94/591015494.db2.gz SQKAOEJHLSSFGO-BVBHFADKSA-N 2 1 342.487 1.995 20 0 EDADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892491403 591048111 /nfs/dbraw/zinc/04/81/11/591048111.db2.gz JLZSPMXXJIATNQ-JKSUJKDBSA-N 2 1 339.528 1.090 20 0 EDADMP CC[C@@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000891346565 591052812 /nfs/dbraw/zinc/05/28/12/591052812.db2.gz CRAQBOVGNJBTBQ-WBAXXEDZSA-N 2 1 330.476 1.860 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000892535345 591063938 /nfs/dbraw/zinc/06/39/38/591063938.db2.gz DECSXMYGYOGVNT-RYQLBKOJSA-N 2 1 346.475 1.327 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000892535345 591063943 /nfs/dbraw/zinc/06/39/43/591063943.db2.gz DECSXMYGYOGVNT-RYQLBKOJSA-N 2 1 346.475 1.327 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)[N@H+]1CCc2ccccc2C1 ZINC000891446820 591074524 /nfs/dbraw/zinc/07/45/24/591074524.db2.gz RHFJKUKNCGBRFO-ATZDWAIDSA-N 2 1 342.487 1.969 20 0 EDADMP C[C@H](CNC(=O)NCc1cc(N)cc[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000891447786 591075283 /nfs/dbraw/zinc/07/52/83/591075283.db2.gz XLLPFMYONRETAK-CQSZACIVSA-N 2 1 339.443 1.910 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)COC(C)=O)CC1 ZINC000892597796 591087513 /nfs/dbraw/zinc/08/75/13/591087513.db2.gz VIKATNMQFHDMJK-MRXNPFEDSA-N 2 1 333.476 1.865 20 0 EDADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891513553 591100872 /nfs/dbraw/zinc/10/08/72/591100872.db2.gz DVWIYADFMHLPDL-JZXOWHBKSA-N 2 1 336.480 1.025 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891537562 591112441 /nfs/dbraw/zinc/11/24/41/591112441.db2.gz KRBFIUURBPTUFV-ZWKOTPCHSA-N 2 1 346.475 1.111 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000891560470 591127153 /nfs/dbraw/zinc/12/71/53/591127153.db2.gz OPWQGQDEFHPOBK-HNNXBMFYSA-N 2 1 337.512 1.068 20 0 EDADMP CCC1([NH3+])CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000891560470 591127155 /nfs/dbraw/zinc/12/71/55/591127155.db2.gz OPWQGQDEFHPOBK-HNNXBMFYSA-N 3 1 337.512 1.068 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000891563423 591129533 /nfs/dbraw/zinc/12/95/33/591129533.db2.gz GGJVZTPCLKZRHV-NXOAAHMSSA-N 2 1 338.496 1.269 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000891579859 591133311 /nfs/dbraw/zinc/13/33/11/591133311.db2.gz MUWQOHOTNVVENZ-INIZCTEOSA-N 2 1 339.528 1.091 20 0 EDADMP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCOCC1 ZINC000891584128 591135333 /nfs/dbraw/zinc/13/53/33/591135333.db2.gz QHOYXBKRDAQSOO-HUUCEWRRSA-N 2 1 326.485 1.032 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000891605462 591146919 /nfs/dbraw/zinc/14/69/19/591146919.db2.gz FAGJJGKPEBYSKM-CVEARBPZSA-N 2 1 337.512 1.068 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1C ZINC000892768635 591167624 /nfs/dbraw/zinc/16/76/24/591167624.db2.gz LLZNSFZBKDRFPI-JYJNAYRXSA-N 2 1 338.496 1.269 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892801837 591186444 /nfs/dbraw/zinc/18/64/44/591186444.db2.gz BWKGCLISOMGTKQ-SFHVURJKSA-N 2 1 341.459 1.938 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892880597 591213359 /nfs/dbraw/zinc/21/33/59/591213359.db2.gz HWPVZXNYLGOFPI-OLZOCXBDSA-N 2 1 349.504 1.639 20 0 EDADMP CCNC(=O)C[N@@H+]1CCCN(c2cc(C3CC3)nc(C3CC3)n2)CC1 ZINC000891763876 591215938 /nfs/dbraw/zinc/21/59/38/591215938.db2.gz FDFVMQIKNQPMAE-UHFFFAOYSA-N 2 1 343.475 1.880 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2nccc3ccccc32)C1 ZINC000894242116 591242138 /nfs/dbraw/zinc/24/21/38/591242138.db2.gz HEMPFTZZESJDLS-INIZCTEOSA-N 2 1 326.444 1.912 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2nccc3ccccc32)C1 ZINC000894242116 591242140 /nfs/dbraw/zinc/24/21/40/591242140.db2.gz HEMPFTZZESJDLS-INIZCTEOSA-N 2 1 326.444 1.912 20 0 EDADMP CC[NH+]1CCN(c2nccc(N3CC[N@H+](CC)[C@H](C)C3)n2)C[C@@H]1C ZINC000892971785 591243179 /nfs/dbraw/zinc/24/31/79/591243179.db2.gz UPXYAXYUMKOXDY-CVEARBPZSA-N 2 1 332.496 1.537 20 0 EDADMP CC[NH+]1CCN(c2ccnc(N3CC[N@H+](CC)[C@@H](C)C3)n2)C[C@H]1C ZINC000892971785 591243181 /nfs/dbraw/zinc/24/31/81/591243181.db2.gz UPXYAXYUMKOXDY-CVEARBPZSA-N 2 1 332.496 1.537 20 0 EDADMP CC[NH+]1CCN(c2ccnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2)C[C@H]1C ZINC000892971785 591243183 /nfs/dbraw/zinc/24/31/83/591243183.db2.gz UPXYAXYUMKOXDY-CVEARBPZSA-N 2 1 332.496 1.537 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC1CC2(C1)CO[C@@H](C)C2 ZINC000895666974 591247308 /nfs/dbraw/zinc/24/73/08/591247308.db2.gz UWMPYSDHTYGYCJ-WMTDPASSSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC1CC2(C1)CO[C@@H](C)C2 ZINC000895666974 591247309 /nfs/dbraw/zinc/24/73/09/591247309.db2.gz UWMPYSDHTYGYCJ-WMTDPASSSA-N 2 1 340.512 1.515 20 0 EDADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1(C)C ZINC000894253069 591248929 /nfs/dbraw/zinc/24/89/29/591248929.db2.gz FTKGOAPYTALABG-CABCVRRESA-N 2 1 329.460 1.236 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000895695526 591256462 /nfs/dbraw/zinc/25/64/62/591256462.db2.gz ZKEGZEGIECLGLQ-MRXNPFEDSA-N 2 1 346.475 1.789 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000895695526 591256463 /nfs/dbraw/zinc/25/64/63/591256463.db2.gz ZKEGZEGIECLGLQ-MRXNPFEDSA-N 2 1 346.475 1.789 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000895851547 591287683 /nfs/dbraw/zinc/28/76/83/591287683.db2.gz ZFROEKIIBZRGBE-MNEFBYGVSA-N 2 1 343.471 1.659 20 0 EDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000895899115 591299482 /nfs/dbraw/zinc/29/94/82/591299482.db2.gz FWASUTUBSBTYGK-KSZLIROESA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000895899115 591299483 /nfs/dbraw/zinc/29/94/83/591299483.db2.gz FWASUTUBSBTYGK-KSZLIROESA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000895899115 591299484 /nfs/dbraw/zinc/29/94/84/591299484.db2.gz FWASUTUBSBTYGK-KSZLIROESA-N 2 1 328.460 1.606 20 0 EDADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000894424862 591308493 /nfs/dbraw/zinc/30/84/93/591308493.db2.gz AODAFIFOOUUBBF-DLBZAZTESA-N 2 1 339.480 1.698 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC000896210393 591388304 /nfs/dbraw/zinc/38/83/04/591388304.db2.gz MHWFFRGEOCETPM-CJNGLKHVSA-N 2 1 335.452 1.017 20 0 EDADMP COCCN1CCC[C@@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC000896210393 591388309 /nfs/dbraw/zinc/38/83/09/591388309.db2.gz MHWFFRGEOCETPM-CJNGLKHVSA-N 2 1 335.452 1.017 20 0 EDADMP COC(=O)c1cc(C)c(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)o1 ZINC000896324739 591419480 /nfs/dbraw/zinc/41/94/80/591419480.db2.gz JOJMPDGQBFYORS-ZDUSSCGKSA-N 2 1 349.431 1.273 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000897438273 591451394 /nfs/dbraw/zinc/45/13/94/591451394.db2.gz UOJQAIXUBYZYRY-MRXNPFEDSA-N 2 1 338.496 1.082 20 0 EDADMP Cc1ccc(NCCCNC(=O)C2C[NH+](C3CCOCC3)C2)[nH+]c1 ZINC000896443941 591468211 /nfs/dbraw/zinc/46/82/11/591468211.db2.gz CWXMWKFQPDCYOA-UHFFFAOYSA-N 2 1 332.448 1.419 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896562233 591525774 /nfs/dbraw/zinc/52/57/74/591525774.db2.gz GEJNHKJOMLRVJY-IRXDYDNUSA-N 2 1 326.529 1.639 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC000896562233 591525775 /nfs/dbraw/zinc/52/57/75/591525775.db2.gz GEJNHKJOMLRVJY-IRXDYDNUSA-N 2 1 326.529 1.639 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896562233 591525776 /nfs/dbraw/zinc/52/57/76/591525776.db2.gz GEJNHKJOMLRVJY-IRXDYDNUSA-N 2 1 326.529 1.639 20 0 EDADMP CCC[NH+](CCC)CCCC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896562233 591525777 /nfs/dbraw/zinc/52/57/77/591525777.db2.gz GEJNHKJOMLRVJY-IRXDYDNUSA-N 2 1 326.529 1.639 20 0 EDADMP CN(C)Cc1csc(CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000896595508 591546236 /nfs/dbraw/zinc/54/62/36/591546236.db2.gz VDHFOHBTNYORRS-CYBMUJFWSA-N 2 1 325.482 1.440 20 0 EDADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897548715 591547722 /nfs/dbraw/zinc/54/77/22/591547722.db2.gz MQSTYIDZCJBVQS-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)NC3CCC(C)([NH+]4CCC4)CC3)C[C@]2(C)C1 ZINC000896703793 591581124 /nfs/dbraw/zinc/58/11/24/591581124.db2.gz BTJMOKJAZGUECG-ZJZKXORJSA-N 2 1 334.508 1.987 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000896812395 591618346 /nfs/dbraw/zinc/61/83/46/591618346.db2.gz ZLLKHDUBHFQVSE-JKSUJKDBSA-N 2 1 325.497 1.819 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000899024486 591638613 /nfs/dbraw/zinc/63/86/13/591638613.db2.gz OHYFHVNUJVAQIN-SFHVURJKSA-N 2 1 340.427 1.584 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000899024486 591638616 /nfs/dbraw/zinc/63/86/16/591638616.db2.gz OHYFHVNUJVAQIN-SFHVURJKSA-N 2 1 340.427 1.584 20 0 EDADMP C[NH+]1CCN(CC(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000899024334 591638723 /nfs/dbraw/zinc/63/87/23/591638723.db2.gz KJWKDPFZVIDMPO-UHFFFAOYSA-N 2 1 339.443 1.111 20 0 EDADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897759275 591646242 /nfs/dbraw/zinc/64/62/42/591646242.db2.gz WSUWEMAFYVURGZ-XOKHGSTOSA-N 2 1 331.464 1.875 20 0 EDADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000897759275 591646245 /nfs/dbraw/zinc/64/62/45/591646245.db2.gz WSUWEMAFYVURGZ-XOKHGSTOSA-N 2 1 331.464 1.875 20 0 EDADMP O=C1COc2ccc(CNC[C@@H]3CC[N@@H+]3C3CCOCC3)cc2N1 ZINC000897228805 591778580 /nfs/dbraw/zinc/77/85/80/591778580.db2.gz OVEFVAUEILLJCC-HNNXBMFYSA-N 2 1 331.416 1.360 20 0 EDADMP O=C1COc2ccc(CNC[C@@H]3CC[N@H+]3C3CCOCC3)cc2N1 ZINC000897228805 591778582 /nfs/dbraw/zinc/77/85/82/591778582.db2.gz OVEFVAUEILLJCC-HNNXBMFYSA-N 2 1 331.416 1.360 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000899963520 591841021 /nfs/dbraw/zinc/84/10/21/591841021.db2.gz GWOMMMVONOKXIP-UHFFFAOYSA-N 2 1 338.540 1.783 20 0 EDADMP COc1cccc([C@@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)[NH+](C)C)c1 ZINC000900012541 591862634 /nfs/dbraw/zinc/86/26/34/591862634.db2.gz BPBCACJGAQNHJB-IEBWSBKVSA-N 2 1 349.475 1.261 20 0 EDADMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C12CC[NH+](CC1)C2 ZINC000900186168 591933169 /nfs/dbraw/zinc/93/31/69/591933169.db2.gz QBUFOLLHYMHLJP-UHFFFAOYSA-N 2 1 346.450 1.160 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)Cc1ccccc1 ZINC000900174147 591938508 /nfs/dbraw/zinc/93/85/08/591938508.db2.gz QIGKAJCDJCVDST-NSHGMRRFSA-N 2 1 347.503 1.511 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902197365 591943032 /nfs/dbraw/zinc/94/30/32/591943032.db2.gz WALADONNCPHWJP-VRCAPQLRSA-N 2 1 343.471 1.557 20 0 EDADMP COCC[C@@H]1CCN(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000902197292 591943144 /nfs/dbraw/zinc/94/31/44/591943144.db2.gz TYARZSJVZLPPMH-XYJFISCASA-N 2 1 335.492 1.778 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900219600 591947237 /nfs/dbraw/zinc/94/72/37/591947237.db2.gz ZNYZACLSLMFSKW-JZXOWHBKSA-N 2 1 325.497 1.317 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900219600 591947241 /nfs/dbraw/zinc/94/72/41/591947241.db2.gz ZNYZACLSLMFSKW-JZXOWHBKSA-N 2 1 325.497 1.317 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900219600 591947244 /nfs/dbraw/zinc/94/72/44/591947244.db2.gz ZNYZACLSLMFSKW-JZXOWHBKSA-N 2 1 325.497 1.317 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)C1([NH3+])CC1 ZINC000902375362 591982700 /nfs/dbraw/zinc/98/27/00/591982700.db2.gz VGFGDXAOFYHLFJ-NSHDSACASA-N 2 1 327.425 1.335 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)C1([NH3+])CC1 ZINC000902384780 591989461 /nfs/dbraw/zinc/98/94/61/591989461.db2.gz OVHXMRXAODUCDR-SGTLLEGYSA-N 2 1 342.443 1.881 20 0 EDADMP O=c1ccn(CCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(=O)[nH]1 ZINC000902522101 592010395 /nfs/dbraw/zinc/01/03/95/592010395.db2.gz WFWGBKFKHFNSRM-JKSUJKDBSA-N 2 1 328.416 1.422 20 0 EDADMP CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000900665562 592085781 /nfs/dbraw/zinc/08/57/81/592085781.db2.gz PFCDHJBYRHRESR-LEOMRAHMSA-N 2 1 335.492 1.573 20 0 EDADMP CNc1nc(C)ccc1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900668369 592086134 /nfs/dbraw/zinc/08/61/34/592086134.db2.gz AJVDUOIHJSQFMT-INIZCTEOSA-N 2 1 345.491 1.672 20 0 EDADMP CNc1nc(C)ccc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900668369 592086137 /nfs/dbraw/zinc/08/61/37/592086137.db2.gz AJVDUOIHJSQFMT-INIZCTEOSA-N 2 1 345.491 1.672 20 0 EDADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900744254 592116021 /nfs/dbraw/zinc/11/60/21/592116021.db2.gz CXYOPAKTYNOIKE-LWSMDNFKSA-N 2 1 349.519 1.963 20 0 EDADMP CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903085510 592117680 /nfs/dbraw/zinc/11/76/80/592117680.db2.gz DHTCEPURGGHMIZ-ZCTYVAAUSA-N 2 1 348.535 1.677 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903085510 592117682 /nfs/dbraw/zinc/11/76/82/592117682.db2.gz DHTCEPURGGHMIZ-ZCTYVAAUSA-N 2 1 348.535 1.677 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903085510 592117685 /nfs/dbraw/zinc/11/76/85/592117685.db2.gz DHTCEPURGGHMIZ-ZCTYVAAUSA-N 2 1 348.535 1.677 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903085510 592117686 /nfs/dbraw/zinc/11/76/86/592117686.db2.gz DHTCEPURGGHMIZ-ZCTYVAAUSA-N 2 1 348.535 1.677 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903085510 592117689 /nfs/dbraw/zinc/11/76/89/592117689.db2.gz DHTCEPURGGHMIZ-ZCTYVAAUSA-N 2 1 348.535 1.677 20 0 EDADMP CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903131876 592123902 /nfs/dbraw/zinc/12/39/02/592123902.db2.gz XGZXWYNEVBCKJO-VGWMRTNUSA-N 2 1 333.480 1.838 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)C2CCC([NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000900825427 592138226 /nfs/dbraw/zinc/13/82/26/592138226.db2.gz VAFUIAXTWQTYFF-BFWZDYSYSA-N 2 1 337.508 1.819 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000903240732 592142862 /nfs/dbraw/zinc/14/28/62/592142862.db2.gz AWYVZVXPOHSOBA-JQWIXIFHSA-N 2 1 348.369 1.331 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000903240732 592142864 /nfs/dbraw/zinc/14/28/64/592142864.db2.gz AWYVZVXPOHSOBA-JQWIXIFHSA-N 2 1 348.369 1.331 20 0 EDADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[C@H]1C ZINC000900846076 592145793 /nfs/dbraw/zinc/14/57/93/592145793.db2.gz PDGUAHYWPHUTCA-HUUCEWRRSA-N 2 1 344.459 1.818 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[C@H]1C ZINC000900846076 592145796 /nfs/dbraw/zinc/14/57/96/592145796.db2.gz PDGUAHYWPHUTCA-HUUCEWRRSA-N 2 1 344.459 1.818 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000900896264 592160320 /nfs/dbraw/zinc/16/03/20/592160320.db2.gz UWAMUYKRFFOPMV-BJLQDIEVSA-N 2 1 345.487 1.422 20 0 EDADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900896264 592160322 /nfs/dbraw/zinc/16/03/22/592160322.db2.gz UWAMUYKRFFOPMV-BJLQDIEVSA-N 2 1 345.487 1.422 20 0 EDADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900896264 592160325 /nfs/dbraw/zinc/16/03/25/592160325.db2.gz UWAMUYKRFFOPMV-BJLQDIEVSA-N 2 1 345.487 1.422 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C[C@H]1CC[NH3+] ZINC000903496789 592187680 /nfs/dbraw/zinc/18/76/80/592187680.db2.gz DVQBXZFHFHJQIT-QGPMSJSTSA-N 2 1 349.450 1.642 20 0 EDADMP O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)NC1CCCCC1 ZINC000903511060 592190575 /nfs/dbraw/zinc/19/05/75/592190575.db2.gz MYOFFUSZXVJCJF-HDICACEKSA-N 2 1 334.508 1.336 20 0 EDADMP C[C@@H](c1nc(C2CC2)no1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510096 592190718 /nfs/dbraw/zinc/19/07/18/592190718.db2.gz OFONZKRXCMYBGX-VBNZEHGJSA-N 2 1 331.464 1.909 20 0 EDADMP CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906665714 592248172 /nfs/dbraw/zinc/24/81/72/592248172.db2.gz DEDMCGIMSHBNKA-UHFFFAOYSA-N 2 1 332.448 1.322 20 0 EDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000904406471 592250797 /nfs/dbraw/zinc/25/07/97/592250797.db2.gz WFWHXYZFJLGSIO-MRXNPFEDSA-N 2 1 331.460 1.762 20 0 EDADMP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)n[nH]1 ZINC000901135686 592253365 /nfs/dbraw/zinc/25/33/65/592253365.db2.gz QHHOZASAKNLGGR-KBRIMQKVSA-N 2 1 331.464 1.733 20 0 EDADMP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)n[nH]1 ZINC000901135686 592253368 /nfs/dbraw/zinc/25/33/68/592253368.db2.gz QHHOZASAKNLGGR-KBRIMQKVSA-N 2 1 331.464 1.733 20 0 EDADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n[nH]1 ZINC000901135686 592253373 /nfs/dbraw/zinc/25/33/73/592253373.db2.gz QHHOZASAKNLGGR-KBRIMQKVSA-N 2 1 331.464 1.733 20 0 EDADMP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n[nH]1 ZINC000901135686 592253375 /nfs/dbraw/zinc/25/33/75/592253375.db2.gz QHHOZASAKNLGGR-KBRIMQKVSA-N 2 1 331.464 1.733 20 0 EDADMP C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717835 592280282 /nfs/dbraw/zinc/28/02/82/592280282.db2.gz DVYZCIYVMDIPJD-DYVFJYSZSA-N 2 1 337.851 1.979 20 0 EDADMP C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717835 592280290 /nfs/dbraw/zinc/28/02/90/592280290.db2.gz DVYZCIYVMDIPJD-DYVFJYSZSA-N 2 1 337.851 1.979 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000904530487 592280346 /nfs/dbraw/zinc/28/03/46/592280346.db2.gz NDQWCKONHRSBIX-BSDSXHPESA-N 2 1 344.459 1.564 20 0 EDADMP C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724182 592284101 /nfs/dbraw/zinc/28/41/01/592284101.db2.gz LSHJZSKFFCPGPP-AZUAARDMSA-N 2 1 343.471 1.779 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)NCC[N@H+]2CCC(C)(C)C2)cc1 ZINC000908082963 592291306 /nfs/dbraw/zinc/29/13/06/592291306.db2.gz KNXQWVFYONWDJA-UHFFFAOYSA-N 2 1 339.505 1.758 20 0 EDADMP C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C[C@@H]1Cc1ccccc1 ZINC000908086654 592294840 /nfs/dbraw/zinc/29/48/40/592294840.db2.gz YOSRRFGEAXSMJF-ICSRJNTNSA-N 2 1 345.487 1.219 20 0 EDADMP C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C[C@@H]1Cc1ccccc1 ZINC000908086654 592294841 /nfs/dbraw/zinc/29/48/41/592294841.db2.gz YOSRRFGEAXSMJF-ICSRJNTNSA-N 2 1 345.487 1.219 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000908086654 592294842 /nfs/dbraw/zinc/29/48/42/592294842.db2.gz YOSRRFGEAXSMJF-ICSRJNTNSA-N 2 1 345.487 1.219 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000908086654 592294843 /nfs/dbraw/zinc/29/48/43/592294843.db2.gz YOSRRFGEAXSMJF-ICSRJNTNSA-N 2 1 345.487 1.219 20 0 EDADMP Cc1cc(C)nc(N2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903751973 592295635 /nfs/dbraw/zinc/29/56/35/592295635.db2.gz KEKONDHLCCERPY-QGZVFWFLSA-N 2 1 345.491 1.374 20 0 EDADMP C[N@@H+](CCCCOc1ccc(Br)cc1)C[C@@H](O)C[NH3+] ZINC000903752776 592296506 /nfs/dbraw/zinc/29/65/06/592296506.db2.gz WXYXGYOHELINSY-ZDUSSCGKSA-N 2 1 331.254 1.860 20 0 EDADMP COC(=O)CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C[C@@H]1CCCO1 ZINC000903753782 592296594 /nfs/dbraw/zinc/29/65/94/592296594.db2.gz YDCNMFTUJWECBW-JKSUJKDBSA-N 2 1 340.464 1.189 20 0 EDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H](CC)CN1C(C)=O ZINC000903735204 592298712 /nfs/dbraw/zinc/29/87/12/592298712.db2.gz YLMCPGCCTCNZFO-KURKYZTESA-N 2 1 337.508 1.866 20 0 EDADMP Cc1cc(C)nc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000903740272 592303236 /nfs/dbraw/zinc/30/32/36/592303236.db2.gz FQSYVHJLUHFRCC-SJLPKXTDSA-N 2 1 330.476 1.779 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903742004 592304813 /nfs/dbraw/zinc/30/48/13/592304813.db2.gz UJUJHCSSXONNJB-JENIJYKNSA-N 2 1 330.476 1.892 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)[nH+]1 ZINC000903742004 592304818 /nfs/dbraw/zinc/30/48/18/592304818.db2.gz UJUJHCSSXONNJB-JENIJYKNSA-N 3 1 330.476 1.892 20 0 EDADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)[nH+]1 ZINC000903742004 592304822 /nfs/dbraw/zinc/30/48/22/592304822.db2.gz UJUJHCSSXONNJB-JENIJYKNSA-N 3 1 330.476 1.892 20 0 EDADMP O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903780801 592320187 /nfs/dbraw/zinc/32/01/87/592320187.db2.gz LVMRXLNUTHNDDI-BSDSXHPESA-N 2 1 337.508 1.508 20 0 EDADMP CN1CC[NH+](Cc2ccccc2-c2cnc3n2C[C@H]([NH3+])CC3)CC1 ZINC000904804627 592328703 /nfs/dbraw/zinc/32/87/03/592328703.db2.gz DWYOFGBBPSADOQ-MRXNPFEDSA-N 2 1 325.460 1.571 20 0 EDADMP Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903820152 592333365 /nfs/dbraw/zinc/33/33/65/592333365.db2.gz VDWXZYVBPDXVGY-QGZVFWFLSA-N 2 1 334.460 1.579 20 0 EDADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903820152 592333371 /nfs/dbraw/zinc/33/33/71/592333371.db2.gz VDWXZYVBPDXVGY-QGZVFWFLSA-N 2 1 334.460 1.579 20 0 EDADMP COC(=O)CCN1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)[C@H](C)C1 ZINC000901320522 592339394 /nfs/dbraw/zinc/33/93/94/592339394.db2.gz DGRMROUGITZJKA-OAGGEKHMSA-N 2 1 337.464 1.099 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCCOc1cccc(Cl)c1)C2 ZINC000903845939 592343576 /nfs/dbraw/zinc/34/35/76/592343576.db2.gz KLOFRWOVCWQWSM-CFVMTHIKSA-N 2 1 337.851 1.647 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCCOc1cccc(Cl)c1)C2 ZINC000903845939 592343581 /nfs/dbraw/zinc/34/35/81/592343581.db2.gz KLOFRWOVCWQWSM-CFVMTHIKSA-N 2 1 337.851 1.647 20 0 EDADMP c1cc(C[NH+]2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000903876684 592356958 /nfs/dbraw/zinc/35/69/58/592356958.db2.gz HKWNPNRBHUCXHA-MRXNPFEDSA-N 2 1 346.504 1.582 20 0 EDADMP CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903898734 592369130 /nfs/dbraw/zinc/36/91/30/592369130.db2.gz OETCBUBLKZYBRY-HZPDHXFCSA-N 2 1 349.479 1.758 20 0 EDADMP CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903903873 592371647 /nfs/dbraw/zinc/37/16/47/592371647.db2.gz XWDUFUFRCWMFFM-CYBMUJFWSA-N 2 1 336.484 1.233 20 0 EDADMP CCC1CCC([N@@H+](CCO)Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903912503 592375897 /nfs/dbraw/zinc/37/58/97/592375897.db2.gz FYUMUQNUWSEECR-JCYILVPMSA-N 2 1 335.496 1.966 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)C2(O)CCOCC2)C1 ZINC000905048091 592378450 /nfs/dbraw/zinc/37/84/50/592378450.db2.gz WYQJNCDYUIIGLK-IXDOHACOSA-N 2 1 328.497 1.237 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000903932170 592383591 /nfs/dbraw/zinc/38/35/91/592383591.db2.gz NLRBROXQLUXBHA-IAGOWNOFSA-N 2 1 332.496 1.414 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000903937743 592387306 /nfs/dbraw/zinc/38/73/06/592387306.db2.gz QNTSSBUCRHHLAI-ROUUACIJSA-N 2 1 344.503 1.563 20 0 EDADMP CCN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cn1 ZINC000903980534 592400540 /nfs/dbraw/zinc/40/05/40/592400540.db2.gz UIBBHKCBVSTOAF-KDURUIRLSA-N 2 1 343.519 1.938 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905122484 592417539 /nfs/dbraw/zinc/41/75/39/592417539.db2.gz PHFVUWJQVHIOBG-QFBILLFUSA-N 2 1 348.487 1.704 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000908287557 592426273 /nfs/dbraw/zinc/42/62/73/592426273.db2.gz MERXKLFFNIHVLF-QGZVFWFLSA-N 2 1 326.529 1.638 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000908287557 592426276 /nfs/dbraw/zinc/42/62/76/592426276.db2.gz MERXKLFFNIHVLF-QGZVFWFLSA-N 2 1 326.529 1.638 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000908287557 592426278 /nfs/dbraw/zinc/42/62/78/592426278.db2.gz MERXKLFFNIHVLF-QGZVFWFLSA-N 2 1 326.529 1.638 20 0 EDADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000908317356 592430441 /nfs/dbraw/zinc/43/04/41/592430441.db2.gz XZUGZDGYWVUZOI-SOLBZPMBSA-N 2 1 335.492 1.715 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000908317356 592430444 /nfs/dbraw/zinc/43/04/44/592430444.db2.gz XZUGZDGYWVUZOI-SOLBZPMBSA-N 2 1 335.492 1.715 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000908317356 592430447 /nfs/dbraw/zinc/43/04/47/592430447.db2.gz XZUGZDGYWVUZOI-SOLBZPMBSA-N 2 1 335.492 1.715 20 0 EDADMP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000905140229 592433486 /nfs/dbraw/zinc/43/34/86/592433486.db2.gz UBZUAEUUUDPIIT-MUQADHOPSA-N 2 1 326.481 1.933 20 0 EDADMP O[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CC1(O)CCCC1 ZINC000905202255 592462955 /nfs/dbraw/zinc/46/29/55/592462955.db2.gz GNWXDXUFNXMEET-OALUTQOASA-N 2 1 348.487 1.399 20 0 EDADMP CC[C@](O)(CNC[C@H](O)C[N@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000905344482 592500805 /nfs/dbraw/zinc/50/08/05/592500805.db2.gz JGPNRDWLFXYIEN-HOTGVXAUSA-N 2 1 346.393 1.699 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000907166766 592531963 /nfs/dbraw/zinc/53/19/63/592531963.db2.gz MHKWCPCBOCSWOS-KRWDZBQOSA-N 2 1 348.491 1.760 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CCOC(C)C)C2)[C@@H]1C(C)C ZINC000905501448 592546312 /nfs/dbraw/zinc/54/63/12/592546312.db2.gz GFDUCNDFKMXPGO-JKEDJMADSA-N 2 1 342.524 1.622 20 0 EDADMP CO[C@H]1CCN(Cc2nc(C(=O)N3C[C@@H](C)[N@H+](C)C[C@H]3C)co2)C1 ZINC000907192000 592552631 /nfs/dbraw/zinc/55/26/31/592552631.db2.gz DVZYSQQXXRULBJ-MCIONIFRSA-N 2 1 336.436 1.060 20 0 EDADMP CO[C@H]1CCN(Cc2nc(C(=O)N3C[C@@H](C)[N@@H+](C)C[C@H]3C)co2)C1 ZINC000907192000 592552636 /nfs/dbraw/zinc/55/26/36/592552636.db2.gz DVZYSQQXXRULBJ-MCIONIFRSA-N 2 1 336.436 1.060 20 0 EDADMP O[C@@]1(C[NH2+]CC2CC3(C2)OCCO3)CC[N@H+](Cc2ccccc2)C1 ZINC000905595005 592586193 /nfs/dbraw/zinc/58/61/93/592586193.db2.gz WUZXGMUBSNYQQJ-GOSISDBHSA-N 2 1 332.444 1.366 20 0 EDADMP O[C@@]1(C[NH2+]CC2CC3(C2)OCCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000905595005 592586195 /nfs/dbraw/zinc/58/61/95/592586195.db2.gz WUZXGMUBSNYQQJ-GOSISDBHSA-N 2 1 332.444 1.366 20 0 EDADMP CO[C@H]1CCN(Cc2nc(C(=O)N(C)CC[N@@H+](C)C3CC3)co2)C1 ZINC000907447573 592660098 /nfs/dbraw/zinc/66/00/98/592660098.db2.gz HWCWNXGBEFQVRP-AWEZNQCLSA-N 2 1 336.436 1.062 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)C1 ZINC000911569407 592950801 /nfs/dbraw/zinc/95/08/01/592950801.db2.gz RZYYZCIEVPQPLJ-QYZOEREBSA-N 2 1 343.471 1.585 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000911702150 592990369 /nfs/dbraw/zinc/99/03/69/592990369.db2.gz JNCPDMWPTSDUSK-MSOLQXFVSA-N 2 1 332.492 1.943 20 0 EDADMP COCCC1(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)CC[NH+](C)CC1 ZINC000912034069 593050883 /nfs/dbraw/zinc/05/08/83/593050883.db2.gz SCGVYTZNKKDJAP-INIZCTEOSA-N 2 1 339.524 1.924 20 0 EDADMP CCC[N@H+](CC)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000839983375 593288568 /nfs/dbraw/zinc/28/85/68/593288568.db2.gz PZTZJXKRTDXTCA-CALCHBBNSA-N 2 1 329.444 1.793 20 0 EDADMP CCC[N@@H+](CC)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000839983375 593288570 /nfs/dbraw/zinc/28/85/70/593288570.db2.gz PZTZJXKRTDXTCA-CALCHBBNSA-N 2 1 329.444 1.793 20 0 EDADMP CCC[NH+](CC)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000839983375 593288573 /nfs/dbraw/zinc/28/85/73/593288573.db2.gz PZTZJXKRTDXTCA-CALCHBBNSA-N 2 1 329.444 1.793 20 0 EDADMP CCC[NH+](CC)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000839983375 593288576 /nfs/dbraw/zinc/28/85/76/593288576.db2.gz PZTZJXKRTDXTCA-CALCHBBNSA-N 2 1 329.444 1.793 20 0 EDADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ncc(C3OCCO3)s2)CC1 ZINC000809625910 593350678 /nfs/dbraw/zinc/35/06/78/593350678.db2.gz CCDGYJAQAXXGNQ-UHFFFAOYSA-N 2 1 341.477 1.513 20 0 EDADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810434206 593401670 /nfs/dbraw/zinc/40/16/70/593401670.db2.gz WHBHXEHAZYSOOW-YJBOKZPZSA-N 2 1 343.487 1.768 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000813826422 593556828 /nfs/dbraw/zinc/55/68/28/593556828.db2.gz OVARCRUCGBWTIO-AEFFLSMTSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000813826422 593556830 /nfs/dbraw/zinc/55/68/30/593556830.db2.gz OVARCRUCGBWTIO-AEFFLSMTSA-N 2 1 331.460 1.488 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000819043129 593735261 /nfs/dbraw/zinc/73/52/61/593735261.db2.gz PQJJTPYQWPQKPD-KRWDZBQOSA-N 2 1 337.439 1.391 20 0 EDADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)COCc1ccccc1 ZINC000819060409 593736500 /nfs/dbraw/zinc/73/65/00/593736500.db2.gz HRJGQVXKIQYDET-VQTJNVASSA-N 2 1 348.487 1.797 20 0 EDADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC1(C)OCCO1 ZINC000819097134 593738738 /nfs/dbraw/zinc/73/87/38/593738738.db2.gz XPPPGCBBYTXBCI-SJLPKXTDSA-N 2 1 336.476 1.858 20 0 EDADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC1(C)OCCO1 ZINC000819097134 593738739 /nfs/dbraw/zinc/73/87/39/593738739.db2.gz XPPPGCBBYTXBCI-SJLPKXTDSA-N 2 1 336.476 1.858 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCc1ccccc1O ZINC000820075064 593788742 /nfs/dbraw/zinc/78/87/42/593788742.db2.gz SEQKUMBZQPGMGT-HNNXBMFYSA-N 2 1 336.480 1.506 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCc1ccccc1O ZINC000820075064 593788743 /nfs/dbraw/zinc/78/87/43/593788743.db2.gz SEQKUMBZQPGMGT-HNNXBMFYSA-N 2 1 336.480 1.506 20 0 EDADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000820806246 593894271 /nfs/dbraw/zinc/89/42/71/593894271.db2.gz DBFOTFHMELPPCR-LLVKDONJSA-N 2 1 328.416 1.494 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821087929 593962320 /nfs/dbraw/zinc/96/23/20/593962320.db2.gz HXSIOBKPHWOYEQ-HNNXBMFYSA-N 2 1 344.463 1.909 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)ccn1 ZINC000824796403 594075973 /nfs/dbraw/zinc/07/59/73/594075973.db2.gz CDOISQFSCSPBSU-SFHVURJKSA-N 2 1 346.475 1.609 20 0 EDADMP C[C@@H](c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1)[C@H](C)[NH3+] ZINC000822925784 594122956 /nfs/dbraw/zinc/12/29/56/594122956.db2.gz KJRFSCCJEPTHAO-OLZOCXBDSA-N 2 1 343.431 1.575 20 0 EDADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@]3(F)CC[NH2+]C3)c2)C[C@@H](C)O1 ZINC000830086243 594334131 /nfs/dbraw/zinc/33/41/31/594334131.db2.gz XDQOATVUSYZPFK-HBUWYVDXSA-N 2 1 335.423 1.936 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@]3(F)CC[NH2+]C3)c2)C[C@H](C)O1 ZINC000830086249 594334374 /nfs/dbraw/zinc/33/43/74/594334374.db2.gz XDQOATVUSYZPFK-QWQRMKEZSA-N 2 1 335.423 1.936 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@]3(F)CC[NH2+]C3)c2)C[C@H](C)O1 ZINC000830086249 594334379 /nfs/dbraw/zinc/33/43/79/594334379.db2.gz XDQOATVUSYZPFK-QWQRMKEZSA-N 2 1 335.423 1.936 20 0 EDADMP C[N@H+](CCNC(=O)[O-])CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000828329623 594393368 /nfs/dbraw/zinc/39/33/68/594393368.db2.gz JQCJFGLZXBTGRW-UHFFFAOYSA-N 2 1 326.485 1.382 20 0 EDADMP C[N@@H+](CCNC(=O)[O-])CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000828329623 594393369 /nfs/dbraw/zinc/39/33/69/594393369.db2.gz JQCJFGLZXBTGRW-UHFFFAOYSA-N 2 1 326.485 1.382 20 0 EDADMP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000826513198 594512036 /nfs/dbraw/zinc/51/20/36/594512036.db2.gz DFTGDPUFORFQEF-KRWDZBQOSA-N 2 1 342.447 1.600 20 0 EDADMP C[NH+](C)C1(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCOCC2)CC1 ZINC000831594529 594686159 /nfs/dbraw/zinc/68/61/59/594686159.db2.gz BPESJVMRZRWOTE-UHFFFAOYSA-N 2 1 345.487 1.878 20 0 EDADMP CC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000832234096 594737179 /nfs/dbraw/zinc/73/71/79/594737179.db2.gz DRSHQPUBQBEJIZ-KRWDZBQOSA-N 2 1 334.508 1.243 20 0 EDADMP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000836226604 594940411 /nfs/dbraw/zinc/94/04/11/594940411.db2.gz HSUZBLOYZJUGMN-MRXNPFEDSA-N 2 1 345.491 1.902 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cn1 ZINC000836235067 594941171 /nfs/dbraw/zinc/94/11/71/594941171.db2.gz LPTNOEWICJLGAH-CVEARBPZSA-N 2 1 340.431 1.421 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cn1 ZINC000836235067 594941173 /nfs/dbraw/zinc/94/11/73/594941173.db2.gz LPTNOEWICJLGAH-CVEARBPZSA-N 2 1 340.431 1.421 20 0 EDADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000841721875 594943609 /nfs/dbraw/zinc/94/36/09/594943609.db2.gz JOTHGUIUURUQFN-HNNXBMFYSA-N 2 1 328.420 1.469 20 0 EDADMP C[C@@]1(CNC(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841898612 594976843 /nfs/dbraw/zinc/97/68/43/594976843.db2.gz OZZOGCRNYIGNHJ-MJGOQNOKSA-N 2 1 346.475 1.268 20 0 EDADMP [NH3+]CCCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843258821 595055169 /nfs/dbraw/zinc/05/51/69/595055169.db2.gz GQYXBZTWBVDDLW-KRWDZBQOSA-N 2 1 346.475 1.012 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000843364410 595088730 /nfs/dbraw/zinc/08/87/30/595088730.db2.gz IEDVVZROTAIXOS-GDBMZVCRSA-N 2 1 344.459 1.099 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000843364410 595088732 /nfs/dbraw/zinc/08/87/32/595088732.db2.gz IEDVVZROTAIXOS-GDBMZVCRSA-N 2 1 344.459 1.099 20 0 EDADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000842472793 595113488 /nfs/dbraw/zinc/11/34/88/595113488.db2.gz LJMCPIYXGVFZQD-CQSZACIVSA-N 2 1 343.431 1.671 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000842510586 595123223 /nfs/dbraw/zinc/12/32/23/595123223.db2.gz SPBAEQCELJDTBQ-WMZOPIPTSA-N 2 1 334.464 1.717 20 0 EDADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000843061270 595276708 /nfs/dbraw/zinc/27/67/08/595276708.db2.gz DJLGUILQKJZRBY-GJZGRUSLSA-N 2 1 332.366 1.785 20 0 EDADMP CCS(=O)(=O)CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000843096993 595286915 /nfs/dbraw/zinc/28/69/15/595286915.db2.gz VNGHUGBYFZQGSV-KRWDZBQOSA-N 2 1 340.489 1.168 20 0 EDADMP C[C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847178736 595372124 /nfs/dbraw/zinc/37/21/24/595372124.db2.gz SQZRJTBLUMCQML-BSXFFOKHSA-N 2 1 343.487 1.813 20 0 EDADMP O=C1O[C@]2(CN1C[N@H+]1CC[C@]3(CC3(F)F)C1)C[NH+]1CCC2CC1 ZINC000844760155 595391251 /nfs/dbraw/zinc/39/12/51/595391251.db2.gz VDIKFMUOKXCDFU-GJZGRUSLSA-N 2 1 327.375 1.592 20 0 EDADMP O=C1O[C@]2(CN1C[N@@H+]1CC[C@]3(CC3(F)F)C1)C[NH+]1CCC2CC1 ZINC000844760155 595391253 /nfs/dbraw/zinc/39/12/53/595391253.db2.gz VDIKFMUOKXCDFU-GJZGRUSLSA-N 2 1 327.375 1.592 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000844954349 595419632 /nfs/dbraw/zinc/41/96/32/595419632.db2.gz PSLAMZOXBTXHRJ-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000844954349 595419633 /nfs/dbraw/zinc/41/96/33/595419633.db2.gz PSLAMZOXBTXHRJ-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000844954349 595419634 /nfs/dbraw/zinc/41/96/34/595419634.db2.gz PSLAMZOXBTXHRJ-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOCC[C@H]3C)CC2)CC1 ZINC000847661260 595465049 /nfs/dbraw/zinc/46/50/49/595465049.db2.gz BLDICUXSPRENBD-MRXNPFEDSA-N 2 1 337.508 1.820 20 0 EDADMP COC(=O)/C=C/c1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)o1 ZINC000848918816 595467943 /nfs/dbraw/zinc/46/79/43/595467943.db2.gz AFZLYWJHBVJOCA-AATRIKPKSA-N 2 1 334.416 1.762 20 0 EDADMP COC(=O)/C=C/c1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)o1 ZINC000848918816 595467945 /nfs/dbraw/zinc/46/79/45/595467945.db2.gz AFZLYWJHBVJOCA-AATRIKPKSA-N 2 1 334.416 1.762 20 0 EDADMP [NH2+]=C(NCCCOc1ccccc1F)NCCC[NH+]1CCOCC1 ZINC000849071675 595477859 /nfs/dbraw/zinc/47/78/59/595477859.db2.gz SUPDQCNWTPMLCO-UHFFFAOYSA-N 2 1 338.427 1.431 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCCC23OCCO3)CC1 ZINC000857440713 595527577 /nfs/dbraw/zinc/52/75/77/595527577.db2.gz ACUISESKJTUFFN-CQSZACIVSA-N 2 1 346.431 1.315 20 0 EDADMP [NH3+]C[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000852793850 595545607 /nfs/dbraw/zinc/54/56/07/595545607.db2.gz HMGMWWRSDFKYKN-ZWNOBZJWSA-N 2 1 326.238 1.646 20 0 EDADMP CC[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849482655 595546543 /nfs/dbraw/zinc/54/65/43/595546543.db2.gz SFUGCXRXJNPCOK-ZWKOTPCHSA-N 2 1 349.523 1.692 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849481046 595546565 /nfs/dbraw/zinc/54/65/65/595546565.db2.gz JBFXACOMLMDEDV-ROUUACIJSA-N 2 1 347.507 1.398 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849481046 595546566 /nfs/dbraw/zinc/54/65/66/595546566.db2.gz JBFXACOMLMDEDV-ROUUACIJSA-N 2 1 347.507 1.398 20 0 EDADMP CC[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849482654 595546747 /nfs/dbraw/zinc/54/67/47/595546747.db2.gz SFUGCXRXJNPCOK-ROUUACIJSA-N 2 1 349.523 1.692 20 0 EDADMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)cn1 ZINC000849500242 595551822 /nfs/dbraw/zinc/55/18/22/595551822.db2.gz OXIVCWNXCJHPRN-BSDSXHPESA-N 2 1 345.491 1.198 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000849500242 595551824 /nfs/dbraw/zinc/55/18/24/595551824.db2.gz OXIVCWNXCJHPRN-BSDSXHPESA-N 2 1 345.491 1.198 20 0 EDADMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cn1 ZINC000849500242 595551826 /nfs/dbraw/zinc/55/18/26/595551826.db2.gz OXIVCWNXCJHPRN-BSDSXHPESA-N 2 1 345.491 1.198 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849521663 595558167 /nfs/dbraw/zinc/55/81/67/595558167.db2.gz USWLBGAOKIWAKP-IAGOWNOFSA-N 2 1 333.480 1.010 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849577366 595579065 /nfs/dbraw/zinc/57/90/65/595579065.db2.gz HWNIAZAEQIJSBN-BZSNNMDCSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849577366 595579068 /nfs/dbraw/zinc/57/90/68/595579068.db2.gz HWNIAZAEQIJSBN-BZSNNMDCSA-N 2 1 347.507 1.444 20 0 EDADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849577366 595579072 /nfs/dbraw/zinc/57/90/72/595579072.db2.gz HWNIAZAEQIJSBN-BZSNNMDCSA-N 2 1 347.507 1.444 20 0 EDADMP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000852859984 595580930 /nfs/dbraw/zinc/58/09/30/595580930.db2.gz GTEUJOPQIXLOGA-JKSUJKDBSA-N 2 1 330.432 1.213 20 0 EDADMP C[C@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000852872516 595591255 /nfs/dbraw/zinc/59/12/55/595591255.db2.gz OUPZPJGRHSIILU-GOEBONIOSA-N 2 1 330.432 1.213 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(Cl)nc1 ZINC000853455136 595755481 /nfs/dbraw/zinc/75/54/81/595755481.db2.gz RMTFGHQVZVJTFR-ZDUSSCGKSA-N 2 1 341.887 1.806 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(Cl)nc1 ZINC000853455136 595755484 /nfs/dbraw/zinc/75/54/84/595755484.db2.gz RMTFGHQVZVJTFR-ZDUSSCGKSA-N 2 1 341.887 1.806 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC[C@H](C)[NH+](C)C)cn1 ZINC000853464345 595758092 /nfs/dbraw/zinc/75/80/92/595758092.db2.gz RYDDRBZVKJXXDJ-ZDUSSCGKSA-N 2 1 330.436 1.715 20 0 EDADMP Cn1c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cnc1Cl ZINC000850357305 595817118 /nfs/dbraw/zinc/81/71/18/595817118.db2.gz FDRTWPSKUKKANB-MRXNPFEDSA-N 2 1 334.851 1.930 20 0 EDADMP CCN(C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000853741867 595869175 /nfs/dbraw/zinc/86/91/75/595869175.db2.gz QUJOYURBLHBHJJ-IRXDYDNUSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214929 596006222 /nfs/dbraw/zinc/00/62/22/596006222.db2.gz VIHHQMXFDBLGRK-CQSZACIVSA-N 2 1 334.464 1.803 20 0 EDADMP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c2C1 ZINC000861540628 596020828 /nfs/dbraw/zinc/02/08/28/596020828.db2.gz OZZIODLQDROPDT-KGLIPLIRSA-N 2 1 346.475 1.791 20 0 EDADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3ccnn3C)C2)ccn1 ZINC000856585023 596024099 /nfs/dbraw/zinc/02/40/99/596024099.db2.gz XKTLHCOLDMRQED-IBGZPJMESA-N 2 1 343.475 1.963 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3ccnn3C)C2)ccn1 ZINC000856585023 596024101 /nfs/dbraw/zinc/02/41/01/596024101.db2.gz XKTLHCOLDMRQED-IBGZPJMESA-N 2 1 343.475 1.963 20 0 EDADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3ccnn3C)C2)ccn1 ZINC000856585023 596024103 /nfs/dbraw/zinc/02/41/03/596024103.db2.gz XKTLHCOLDMRQED-IBGZPJMESA-N 2 1 343.475 1.963 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000861563982 596030360 /nfs/dbraw/zinc/03/03/60/596030360.db2.gz DAMMPRVKAWHSIX-LSDHHAIUSA-N 2 1 328.420 1.515 20 0 EDADMP C[NH+]1CCC(O)(CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857138809 596167567 /nfs/dbraw/zinc/16/75/67/596167567.db2.gz VMAOMYXRCPOLHF-GOSISDBHSA-N 2 1 345.487 1.682 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861984402 596169960 /nfs/dbraw/zinc/16/99/60/596169960.db2.gz FTPTYYXJUKUBJI-UHFFFAOYSA-N 2 1 334.464 1.685 20 0 EDADMP Cc1[nH+]ccn1CCCC(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000861984402 596169964 /nfs/dbraw/zinc/16/99/64/596169964.db2.gz FTPTYYXJUKUBJI-UHFFFAOYSA-N 2 1 334.464 1.685 20 0 EDADMP CN(CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C(=O)OC(C)(C)C ZINC000852707355 596230723 /nfs/dbraw/zinc/23/07/23/596230723.db2.gz GQWYTVCPZRMERE-MRXNPFEDSA-N 2 1 341.496 1.774 20 0 EDADMP CN(CCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)C(=O)OC(C)(C)C ZINC000852707355 596230725 /nfs/dbraw/zinc/23/07/25/596230725.db2.gz GQWYTVCPZRMERE-MRXNPFEDSA-N 2 1 341.496 1.774 20 0 EDADMP O=C1NC(=O)C2(CCC([NH2+]C[C@H]3CC[N@@H+]3C3CCCCCC3)CC2)N1 ZINC000866562038 596252623 /nfs/dbraw/zinc/25/26/23/596252623.db2.gz NYJWSNRMHQZIQT-NLGTXKQRSA-N 2 1 348.491 1.894 20 0 EDADMP O=C1NC(=O)C2(CCC([NH2+]C[C@H]3CC[N@H+]3C3CCCCCC3)CC2)N1 ZINC000866562038 596252627 /nfs/dbraw/zinc/25/26/27/596252627.db2.gz NYJWSNRMHQZIQT-NLGTXKQRSA-N 2 1 348.491 1.894 20 0 EDADMP [NH3+]C1CC[NH+](CCc2cn(C[C@H](O)c3ccc(F)cc3)nn2)CC1 ZINC000864629127 596289538 /nfs/dbraw/zinc/28/95/38/596289538.db2.gz DJQPCLFKNGEWFD-KRWDZBQOSA-N 2 1 333.411 1.116 20 0 EDADMP CN1CCN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)Cc2cccnc21 ZINC000868758057 596296895 /nfs/dbraw/zinc/29/68/95/596296895.db2.gz KYLZXPNLMXAHQG-OAHLLOKOSA-N 2 1 331.464 1.916 20 0 EDADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866709608 596304200 /nfs/dbraw/zinc/30/42/00/596304200.db2.gz LHPBUSPCXUMRJL-ZACQAIPSSA-N 2 1 344.415 1.012 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000866711481 596304970 /nfs/dbraw/zinc/30/49/70/596304970.db2.gz LOURYPNSIXRXRG-YESZJQIVSA-N 2 1 329.400 1.084 20 0 EDADMP O=C1OC[C@@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@H]12 ZINC000862545176 596343590 /nfs/dbraw/zinc/34/35/90/596343590.db2.gz JMNOMYUDCMUIBG-WMZOPIPTSA-N 2 1 330.428 1.766 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000870865177 596381842 /nfs/dbraw/zinc/38/18/42/596381842.db2.gz HGICZSYMXCYICH-OKZBNKHCSA-N 2 1 344.503 1.831 20 0 EDADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000870873311 596385680 /nfs/dbraw/zinc/38/56/80/596385680.db2.gz HRAMDKWLPURZBH-GZBFAFLISA-N 2 1 349.397 1.227 20 0 EDADMP C[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000870892621 596392735 /nfs/dbraw/zinc/39/27/35/596392735.db2.gz WHIFOZLCMFXFNN-SEEKVXKWSA-N 2 1 343.471 1.520 20 0 EDADMP C[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000870892621 596392742 /nfs/dbraw/zinc/39/27/42/596392742.db2.gz WHIFOZLCMFXFNN-SEEKVXKWSA-N 2 1 343.471 1.520 20 0 EDADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870919750 596404762 /nfs/dbraw/zinc/40/47/62/596404762.db2.gz GHFCKJBIXHVGKB-LBPRGKRZSA-N 2 1 334.489 1.824 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000867810321 596562867 /nfs/dbraw/zinc/56/28/67/596562867.db2.gz YLYARSGUBZRPMP-WBVHZDCISA-N 2 1 337.489 1.463 20 0 EDADMP C[NH+](C)CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000863503650 596602673 /nfs/dbraw/zinc/60/26/73/596602673.db2.gz KVVBPNPFSWRMNR-YRYLYKBFSA-N 2 1 331.460 1.851 20 0 EDADMP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1 ZINC000869777171 596627759 /nfs/dbraw/zinc/62/77/59/596627759.db2.gz BBVLZKWPPOJPGN-KRWDZBQOSA-N 2 1 333.476 1.366 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000868226438 596734863 /nfs/dbraw/zinc/73/48/63/596734863.db2.gz BYVKFPZUFKEFDI-YLFCFFPRSA-N 2 1 342.443 1.183 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000868226436 596734963 /nfs/dbraw/zinc/73/49/63/596734963.db2.gz BYVKFPZUFKEFDI-VVLHAWIVSA-N 2 1 342.443 1.183 20 0 EDADMP O=C([C@@H](O)c1cnc[nH]1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000868281796 596762402 /nfs/dbraw/zinc/76/24/02/596762402.db2.gz PGURUGMCABXWFY-HKUYNNGSSA-N 2 1 340.427 1.568 20 0 EDADMP O=C([C@@H](O)c1c[nH]cn1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000868281796 596762403 /nfs/dbraw/zinc/76/24/03/596762403.db2.gz PGURUGMCABXWFY-HKUYNNGSSA-N 2 1 340.427 1.568 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000868283499 596763985 /nfs/dbraw/zinc/76/39/85/596763985.db2.gz ZCGGDCKGBCVNII-WMZOPIPTSA-N 2 1 328.460 1.957 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000868283499 596763988 /nfs/dbraw/zinc/76/39/88/596763988.db2.gz ZCGGDCKGBCVNII-WMZOPIPTSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000868283499 596763992 /nfs/dbraw/zinc/76/39/92/596763992.db2.gz ZCGGDCKGBCVNII-WMZOPIPTSA-N 2 1 328.460 1.957 20 0 EDADMP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000868283499 596763996 /nfs/dbraw/zinc/76/39/96/596763996.db2.gz ZCGGDCKGBCVNII-WMZOPIPTSA-N 2 1 328.460 1.957 20 0 EDADMP CC(C)(C)S(=O)(=O)CCC[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000872145669 596810170 /nfs/dbraw/zinc/81/01/70/596810170.db2.gz WBSPOYCWXJIQPX-HZPDHXFCSA-N 2 1 346.537 1.808 20 0 EDADMP Cn1c(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc(=O)n(C)c1=O ZINC000872156456 596816194 /nfs/dbraw/zinc/81/61/94/596816194.db2.gz JXVFCZKGTBLWTJ-RHSMWYFYSA-N 2 1 348.491 1.204 20 0 EDADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC000872198576 596831576 /nfs/dbraw/zinc/83/15/76/596831576.db2.gz RFFSJYNGRTUHCV-LJQANCHMSA-N 2 1 349.519 1.436 20 0 EDADMP Cc1ccc(CN2CCO[C@H](C[NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000872236201 596848246 /nfs/dbraw/zinc/84/82/46/596848246.db2.gz OOIJVNJZCOITPD-WOJBJXKFSA-N 2 1 347.503 1.242 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)C1 ZINC000875746625 596971144 /nfs/dbraw/zinc/97/11/44/596971144.db2.gz JZFJUIBZJQZRST-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C[C@@H]3CCCCN3C2=O)C1 ZINC000872587152 596978082 /nfs/dbraw/zinc/97/80/82/596978082.db2.gz QIHSZVHSWREUEM-DLBZAZTESA-N 2 1 338.496 1.667 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C[C@@H]3CCCCN3C2=O)C1 ZINC000872587152 596978084 /nfs/dbraw/zinc/97/80/84/596978084.db2.gz QIHSZVHSWREUEM-DLBZAZTESA-N 2 1 338.496 1.667 20 0 EDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000874838641 597192770 /nfs/dbraw/zinc/19/27/70/597192770.db2.gz QHXYSZAFTWYCNI-NSHGMRRFSA-N 2 1 343.471 1.319 20 0 EDADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000874838641 597192773 /nfs/dbraw/zinc/19/27/73/597192773.db2.gz QHXYSZAFTWYCNI-NSHGMRRFSA-N 2 1 343.471 1.319 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000873111027 597199465 /nfs/dbraw/zinc/19/94/65/597199465.db2.gz CESCJEXMUZUZEC-CVEARBPZSA-N 2 1 330.432 1.040 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)C1 ZINC000876520245 597228816 /nfs/dbraw/zinc/22/88/16/597228816.db2.gz GXOQLNNBDUGQIJ-AWEZNQCLSA-N 2 1 345.443 1.876 20 0 EDADMP Cc1c[nH+]cn1CC(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000876521340 597229368 /nfs/dbraw/zinc/22/93/68/597229368.db2.gz LSBPKWNZKMJAHQ-CQSZACIVSA-N 2 1 342.399 1.739 20 0 EDADMP C[NH+](C)CCN1CCC(NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000875056726 597264258 /nfs/dbraw/zinc/26/42/58/597264258.db2.gz UBKFIEZUNIHEJF-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000875056726 597264260 /nfs/dbraw/zinc/26/42/60/597264260.db2.gz UBKFIEZUNIHEJF-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000875056726 597264262 /nfs/dbraw/zinc/26/42/62/597264262.db2.gz UBKFIEZUNIHEJF-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875144586 597302087 /nfs/dbraw/zinc/30/20/87/597302087.db2.gz RSMLSXAIQIBAJL-PMPSAXMXSA-N 2 1 340.512 1.251 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875144586 597302089 /nfs/dbraw/zinc/30/20/89/597302089.db2.gz RSMLSXAIQIBAJL-PMPSAXMXSA-N 2 1 340.512 1.251 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000875144586 597302092 /nfs/dbraw/zinc/30/20/92/597302092.db2.gz RSMLSXAIQIBAJL-PMPSAXMXSA-N 2 1 340.512 1.251 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876719946 597304153 /nfs/dbraw/zinc/30/41/53/597304153.db2.gz BIHPODVIHBJSMP-SJORKVTESA-N 2 1 335.423 1.083 20 0 EDADMP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1(F)F ZINC000876738605 597314868 /nfs/dbraw/zinc/31/48/68/597314868.db2.gz IAXSYQCKLMUCPD-IACUBPJLSA-N 2 1 343.443 1.916 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876769695 597332511 /nfs/dbraw/zinc/33/25/11/597332511.db2.gz XXVLTOUBJKNWKG-PMPSAXMXSA-N 2 1 345.491 1.082 20 0 EDADMP COCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876792234 597342236 /nfs/dbraw/zinc/34/22/36/597342236.db2.gz UOPJGITVJMINOC-SFHVURJKSA-N 2 1 345.487 1.641 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876839525 597354845 /nfs/dbraw/zinc/35/48/45/597354845.db2.gz VUAYYUBJAZFXLW-WDYCEAGBSA-N 2 1 329.444 1.700 20 0 EDADMP O=C1CNC(=O)N1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000876876715 597365685 /nfs/dbraw/zinc/36/56/85/597365685.db2.gz UDZRAQCQOWMMOE-DOTOQJQBSA-N 2 1 342.443 1.496 20 0 EDADMP O=C1CNC(=O)N1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000876876715 597365688 /nfs/dbraw/zinc/36/56/88/597365688.db2.gz UDZRAQCQOWMMOE-DOTOQJQBSA-N 2 1 342.443 1.496 20 0 EDADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)nn2)C1 ZINC000877191285 597456939 /nfs/dbraw/zinc/45/69/39/597456939.db2.gz NXGADHNMNFBKQW-INIZCTEOSA-N 2 1 332.835 1.986 20 0 EDADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)nn2)C1 ZINC000877191285 597456942 /nfs/dbraw/zinc/45/69/42/597456942.db2.gz NXGADHNMNFBKQW-INIZCTEOSA-N 2 1 332.835 1.986 20 0 EDADMP CC[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3C)CCO2)CCC[NH2+]1 ZINC000877229190 597469169 /nfs/dbraw/zinc/46/91/69/597469169.db2.gz IVWPCZQFVLXRIT-AZUAARDMSA-N 2 1 345.487 1.844 20 0 EDADMP CC[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3C)CCO2)CCC[NH2+]1 ZINC000877229190 597469170 /nfs/dbraw/zinc/46/91/70/597469170.db2.gz IVWPCZQFVLXRIT-AZUAARDMSA-N 2 1 345.487 1.844 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000877229522 597469861 /nfs/dbraw/zinc/46/98/61/597469861.db2.gz ODMWDZPZTUIIQQ-SFHVURJKSA-N 2 1 331.460 1.454 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000877229522 597469863 /nfs/dbraw/zinc/46/98/63/597469863.db2.gz ODMWDZPZTUIIQQ-SFHVURJKSA-N 2 1 331.460 1.454 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000877230737 597470847 /nfs/dbraw/zinc/47/08/47/597470847.db2.gz GXDDNCWDAJRCLB-QGZVFWFLSA-N 2 1 333.476 1.830 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000877230737 597470849 /nfs/dbraw/zinc/47/08/49/597470849.db2.gz GXDDNCWDAJRCLB-QGZVFWFLSA-N 2 1 333.476 1.830 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000877231987 597471533 /nfs/dbraw/zinc/47/15/33/597471533.db2.gz XOANWYGOFKMMAB-SJLPKXTDSA-N 2 1 335.423 1.014 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000877231987 597471536 /nfs/dbraw/zinc/47/15/36/597471536.db2.gz XOANWYGOFKMMAB-SJLPKXTDSA-N 2 1 335.423 1.014 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000873986155 597479916 /nfs/dbraw/zinc/47/99/16/597479916.db2.gz KTGLQOXLYYBCRG-LJQANCHMSA-N 2 1 344.503 1.577 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877280989 597485897 /nfs/dbraw/zinc/48/58/97/597485897.db2.gz FVUWWRWUDQYSCT-KSZLIROESA-N 2 1 329.444 1.240 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877280989 597485899 /nfs/dbraw/zinc/48/58/99/597485899.db2.gz FVUWWRWUDQYSCT-KSZLIROESA-N 2 1 329.444 1.240 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877357113 597500094 /nfs/dbraw/zinc/50/00/94/597500094.db2.gz RFWCOJCAVCJOAT-WOPDTQHZSA-N 2 1 332.370 1.992 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)CC3(O)CCCCC3)CC2)C1 ZINC000878248358 597589766 /nfs/dbraw/zinc/58/97/66/597589766.db2.gz WMWLPZBAADPNFZ-ROUUACIJSA-N 2 1 339.524 1.144 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)CC3(O)CCCCC3)CC2)C1 ZINC000878248358 597589767 /nfs/dbraw/zinc/58/97/67/597589767.db2.gz WMWLPZBAADPNFZ-ROUUACIJSA-N 2 1 339.524 1.144 20 0 EDADMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CC3(O)CCCCC3)CC2)C1 ZINC000878248359 597589903 /nfs/dbraw/zinc/58/99/03/597589903.db2.gz WMWLPZBAADPNFZ-ZWKOTPCHSA-N 2 1 339.524 1.144 20 0 EDADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CC3(O)CCCCC3)CC2)C1 ZINC000878248359 597589904 /nfs/dbraw/zinc/58/99/04/597589904.db2.gz WMWLPZBAADPNFZ-ZWKOTPCHSA-N 2 1 339.524 1.144 20 0 EDADMP C[NH+]1CCC(NC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000878286062 597592699 /nfs/dbraw/zinc/59/26/99/597592699.db2.gz JYGHUSSRMHIVSL-QAPCUYQASA-N 2 1 334.508 1.146 20 0 EDADMP CCCNc1cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)ncn1 ZINC000882986812 597607625 /nfs/dbraw/zinc/60/76/25/597607625.db2.gz KEIDUGWIVDDZRM-MRXNPFEDSA-N 2 1 348.495 1.507 20 0 EDADMP Nc1c(-c2ccccc2)[nH+]cn1Cc1cn(CC2CC[NH2+]CC2)nn1 ZINC000881429213 597614881 /nfs/dbraw/zinc/61/48/81/597614881.db2.gz UGGBJOGRTNIWCO-UHFFFAOYSA-N 2 1 337.431 1.772 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879581384 597643102 /nfs/dbraw/zinc/64/31/02/597643102.db2.gz ZJQHBNJZBCFDJK-DZGCQCFKSA-N 2 1 332.473 1.633 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879581384 597643105 /nfs/dbraw/zinc/64/31/05/597643105.db2.gz ZJQHBNJZBCFDJK-DZGCQCFKSA-N 2 1 332.473 1.633 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879581384 597643109 /nfs/dbraw/zinc/64/31/09/597643109.db2.gz ZJQHBNJZBCFDJK-DZGCQCFKSA-N 2 1 332.473 1.633 20 0 EDADMP Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879581384 597643110 /nfs/dbraw/zinc/64/31/10/597643110.db2.gz ZJQHBNJZBCFDJK-DZGCQCFKSA-N 2 1 332.473 1.633 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883155888 597670527 /nfs/dbraw/zinc/67/05/27/597670527.db2.gz WTSCLMNCJZZHOX-QGZVFWFLSA-N 2 1 349.479 1.524 20 0 EDADMP COC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CCCOC1 ZINC000883185824 597680607 /nfs/dbraw/zinc/68/06/07/597680607.db2.gz FLJJYUWKDVFUCS-DLBZAZTESA-N 2 1 326.481 1.663 20 0 EDADMP O=C1NCCN1c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000883286966 597700554 /nfs/dbraw/zinc/70/05/54/597700554.db2.gz HTQLGPWVDQHOCL-SFHVURJKSA-N 2 1 344.459 1.559 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000883329489 597714653 /nfs/dbraw/zinc/71/46/53/597714653.db2.gz LTTZHFKRHCZSSQ-QGZVFWFLSA-N 2 1 348.491 1.563 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC[C@H]21 ZINC000878829928 597726939 /nfs/dbraw/zinc/72/69/39/597726939.db2.gz NBOJFSPICBURJO-CZUORRHYSA-N 2 1 326.404 1.825 20 0 EDADMP CN(C[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2)C(=O)OC(C)(C)C ZINC000878864328 597738025 /nfs/dbraw/zinc/73/80/25/597738025.db2.gz YKLYUBRBTJMVCG-HNNXBMFYSA-N 2 1 341.496 1.632 20 0 EDADMP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2nc(C(C)(C)[NH3+])no2)cn1 ZINC000883460676 597757158 /nfs/dbraw/zinc/75/71/58/597757158.db2.gz CXPSJNLGRJCVEM-QXMXGUDHSA-N 2 1 330.436 1.908 20 0 EDADMP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nc(C(C)(C)[NH3+])no2)cn1 ZINC000883460676 597757160 /nfs/dbraw/zinc/75/71/60/597757160.db2.gz CXPSJNLGRJCVEM-QXMXGUDHSA-N 2 1 330.436 1.908 20 0 EDADMP CC(C)([NH3+])CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883586419 597814126 /nfs/dbraw/zinc/81/41/26/597814126.db2.gz LFQQOMXNIDALFQ-MRXNPFEDSA-N 2 1 331.464 1.830 20 0 EDADMP COCC[N@H+](CC(=O)NC1CCCCC1)CC1CC[NH+](C)CC1 ZINC000879124178 597826156 /nfs/dbraw/zinc/82/61/56/597826156.db2.gz RCEMQVAJQLZZQG-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP COCC[N@@H+](CCC(=O)N1CCC[C@H]1C)CC1CC[NH+](C)CC1 ZINC000879124805 597827131 /nfs/dbraw/zinc/82/71/31/597827131.db2.gz DLUVGDALNHNJOJ-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000879244774 597863114 /nfs/dbraw/zinc/86/31/14/597863114.db2.gz GISPQXOOBUYMRJ-IEBWSBKVSA-N 2 1 331.460 1.349 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000879244774 597863116 /nfs/dbraw/zinc/86/31/16/597863116.db2.gz GISPQXOOBUYMRJ-IEBWSBKVSA-N 2 1 331.460 1.349 20 0 EDADMP CCc1ccc(C[NH+]2CCN(C[C@@H](O)C[N@@H+](C)CCOC)CC2)cc1 ZINC000880249076 597882237 /nfs/dbraw/zinc/88/22/37/597882237.db2.gz RXJYRCKNDCDTEG-FQEVSTJZSA-N 2 1 349.519 1.306 20 0 EDADMP C[C@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)CCN1c1cc[nH+]cc1 ZINC000880262101 597886080 /nfs/dbraw/zinc/88/60/80/597886080.db2.gz TWLWJODATZAOHD-DOTOQJQBSA-N 2 1 331.416 1.763 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC000883778615 597897886 /nfs/dbraw/zinc/89/78/86/597897886.db2.gz FFZXTTZQEBHBQG-QGZVFWFLSA-N 2 1 338.496 1.413 20 0 EDADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000880431966 597932380 /nfs/dbraw/zinc/93/23/80/597932380.db2.gz JEYXSUZWBYOWTB-KZNAEPCWSA-N 2 1 349.475 1.141 20 0 EDADMP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000884208354 598029902 /nfs/dbraw/zinc/02/99/02/598029902.db2.gz XRLHNXUDXWMOFX-HYVNUMGLSA-N 2 1 343.427 1.282 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884227160 598036319 /nfs/dbraw/zinc/03/63/19/598036319.db2.gz JSUOVHVYFLWPBD-KRWDZBQOSA-N 2 1 345.491 1.438 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])CC3CC3)CC2)cc1 ZINC000884305651 598060201 /nfs/dbraw/zinc/06/02/01/598060201.db2.gz CCUOBYZKCOVONY-SFHVURJKSA-N 2 1 331.460 1.857 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])CC3CC3)CC2)cc1 ZINC000884305651 598060204 /nfs/dbraw/zinc/06/02/04/598060204.db2.gz CCUOBYZKCOVONY-SFHVURJKSA-N 2 1 331.460 1.857 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000914150606 695159555 /nfs/dbraw/zinc/15/95/55/695159555.db2.gz PLJKIWFUJHBDNX-LVQVYYBASA-N 2 1 338.521 1.492 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914150606 695159556 /nfs/dbraw/zinc/15/95/56/695159556.db2.gz PLJKIWFUJHBDNX-LVQVYYBASA-N 2 1 338.521 1.492 20 0 EDADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000914150606 695159557 /nfs/dbraw/zinc/15/95/57/695159557.db2.gz PLJKIWFUJHBDNX-LVQVYYBASA-N 2 1 338.521 1.492 20 0 EDADMP Cc1nccn1-c1ncccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000914323289 695359374 /nfs/dbraw/zinc/35/93/74/695359374.db2.gz VBIQUPNNMZQREX-DOMZBBRYSA-N 2 1 328.420 1.468 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000914323289 695359376 /nfs/dbraw/zinc/35/93/76/695359376.db2.gz VBIQUPNNMZQREX-DOMZBBRYSA-N 2 1 328.420 1.468 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000914323289 695359378 /nfs/dbraw/zinc/35/93/78/695359378.db2.gz VBIQUPNNMZQREX-DOMZBBRYSA-N 2 1 328.420 1.468 20 0 EDADMP CC(C)(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856860 700005546 /nfs/dbraw/zinc/00/55/46/700005546.db2.gz KNTPWILMRKRUGX-RCDNUKIMSA-N 2 1 335.492 1.334 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001031235007 695928706 /nfs/dbraw/zinc/92/87/06/695928706.db2.gz LKJMQKVRHVXLKA-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001031235007 695928707 /nfs/dbraw/zinc/92/87/07/695928707.db2.gz LKJMQKVRHVXLKA-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP O=C(NC1C[NH+](CC[C@H]2CCCCO2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001031235816 695931172 /nfs/dbraw/zinc/93/11/72/695931172.db2.gz HTZRJTKPAVPZQN-LJQANCHMSA-N 2 1 349.519 1.868 20 0 EDADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031260063 696067001 /nfs/dbraw/zinc/06/70/01/696067001.db2.gz KWVMKLYMQIICOY-HKUYNNGSSA-N 2 1 345.487 1.386 20 0 EDADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031260063 696067004 /nfs/dbraw/zinc/06/70/04/696067004.db2.gz KWVMKLYMQIICOY-HKUYNNGSSA-N 2 1 345.487 1.386 20 0 EDADMP COCC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993610244 696256966 /nfs/dbraw/zinc/25/69/66/696256966.db2.gz FGKQUSKXBQTOJX-LSDHHAIUSA-N 2 1 334.464 1.377 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993610244 696256967 /nfs/dbraw/zinc/25/69/67/696256967.db2.gz FGKQUSKXBQTOJX-LSDHHAIUSA-N 2 1 334.464 1.377 20 0 EDADMP Cc1oncc1C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993761878 696360825 /nfs/dbraw/zinc/36/08/25/696360825.db2.gz PAMVUSIMWJIGPQ-DYVFJYSZSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1oncc1C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993761878 696360828 /nfs/dbraw/zinc/36/08/28/696360828.db2.gz PAMVUSIMWJIGPQ-DYVFJYSZSA-N 2 1 334.464 1.794 20 0 EDADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948064562 696664519 /nfs/dbraw/zinc/66/45/19/696664519.db2.gz FNWVRFAEJZXNBO-HOCLYGCPSA-N 2 1 346.475 1.077 20 0 EDADMP CC(C)n1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nn1 ZINC000940008566 700110434 /nfs/dbraw/zinc/11/04/34/700110434.db2.gz UFMORHOAFSDWHL-INIZCTEOSA-N 2 1 348.495 1.424 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CC2CCOCC2)[C@H]1C ZINC000994417838 696833373 /nfs/dbraw/zinc/83/33/73/696833373.db2.gz GBJCLLGTVJFOHK-YOEHRIQHSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CC2CCOCC2)[C@H]1C ZINC000994417838 696833374 /nfs/dbraw/zinc/83/33/74/696833374.db2.gz GBJCLLGTVJFOHK-YOEHRIQHSA-N 2 1 334.464 1.587 20 0 EDADMP C[C@@H]1[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CCC[N@H+]1CCCO ZINC000994493468 696933242 /nfs/dbraw/zinc/93/32/42/696933242.db2.gz DGLXBBJBWXTVQR-CRAIPNDOSA-N 2 1 333.476 1.713 20 0 EDADMP CO[C@@H](C[NH+]1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1)C1CCC1 ZINC001031434243 697097559 /nfs/dbraw/zinc/09/75/59/697097559.db2.gz ZLMSTRNJWUFYCF-IBGZPJMESA-N 2 1 345.487 1.977 20 0 EDADMP COCc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001031579640 697275046 /nfs/dbraw/zinc/27/50/46/697275046.db2.gz IXMKNWDRHVDNOV-GOSISDBHSA-N 2 1 331.460 1.475 20 0 EDADMP CCc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001031597249 697297737 /nfs/dbraw/zinc/29/77/37/697297737.db2.gz XVLZZJNEBBBRRJ-LJQANCHMSA-N 2 1 345.487 1.170 20 0 EDADMP CCc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001031597249 697297739 /nfs/dbraw/zinc/29/77/39/697297739.db2.gz XVLZZJNEBBBRRJ-LJQANCHMSA-N 2 1 345.487 1.170 20 0 EDADMP Cc1nc(C(C)C)oc1CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031682402 697504142 /nfs/dbraw/zinc/50/41/42/697504142.db2.gz IQWNZKKFGQGFOQ-GDBMZVCRSA-N 2 1 348.491 1.995 20 0 EDADMP Cc1nc(C(C)C)oc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031682402 697504143 /nfs/dbraw/zinc/50/41/43/697504143.db2.gz IQWNZKKFGQGFOQ-GDBMZVCRSA-N 2 1 348.491 1.995 20 0 EDADMP Cc1nc(C(C)C)oc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031682402 697504145 /nfs/dbraw/zinc/50/41/45/697504145.db2.gz IQWNZKKFGQGFOQ-GDBMZVCRSA-N 2 1 348.491 1.995 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCn3nc(C)cc3C)C2)CC[N@H+]1C ZINC001031686789 697519132 /nfs/dbraw/zinc/51/91/32/697519132.db2.gz TZZBOMWCGTZSDK-ZWKOTPCHSA-N 2 1 347.507 1.278 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001031714422 697742405 /nfs/dbraw/zinc/74/24/05/697742405.db2.gz IIHNWZPMOOLOOU-IBGZPJMESA-N 2 1 345.487 1.601 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940108530 700220725 /nfs/dbraw/zinc/22/07/25/700220725.db2.gz GDOHTMNFDCVJHN-INIZCTEOSA-N 2 1 345.491 1.820 20 0 EDADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943516276 698430687 /nfs/dbraw/zinc/43/06/87/698430687.db2.gz KTDZSGNFXBISRP-NVXWUHKLSA-N 2 1 335.496 1.685 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941471075 701549909 /nfs/dbraw/zinc/54/99/09/701549909.db2.gz OUGNCFAXLMITCJ-LJQANCHMSA-N 2 1 348.535 1.345 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C)C1 ZINC000995041001 700248412 /nfs/dbraw/zinc/24/84/12/700248412.db2.gz XVIJISXIYVXXJK-WBVHZDCISA-N 2 1 344.463 1.308 20 0 EDADMP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000940117929 700250709 /nfs/dbraw/zinc/25/07/09/700250709.db2.gz ZFOFVFQXFUQLES-HUUCEWRRSA-N 2 1 334.464 1.794 20 0 EDADMP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)NCc1ccccn1 ZINC000068970252 699010575 /nfs/dbraw/zinc/01/05/75/699010575.db2.gz UQJYZKRPTKGAQU-UHFFFAOYSA-N 2 1 346.475 1.132 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+]([C@H]3CCc4ccccc43)C2)O1 ZINC001031765972 699060419 /nfs/dbraw/zinc/06/04/19/699060419.db2.gz XEASWDGSKRKWDX-MDASCCDHSA-N 2 1 343.471 1.441 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+]([C@H]3CCc4ccccc43)C2)O1 ZINC001031765972 699060421 /nfs/dbraw/zinc/06/04/21/699060421.db2.gz XEASWDGSKRKWDX-MDASCCDHSA-N 2 1 343.471 1.441 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)no1 ZINC000939129370 699208563 /nfs/dbraw/zinc/20/85/63/699208563.db2.gz WEZZYFKXVODHLC-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)no1 ZINC000939129370 699208564 /nfs/dbraw/zinc/20/85/64/699208564.db2.gz WEZZYFKXVODHLC-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCOCC2)C1 ZINC001031805706 699399317 /nfs/dbraw/zinc/39/93/17/699399317.db2.gz BISSZUYZANGJBM-SFHVURJKSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939398892 699547896 /nfs/dbraw/zinc/54/78/96/699547896.db2.gz SPVZOPVNKAZYJT-RHSMWYFYSA-N 2 1 334.464 1.651 20 0 EDADMP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]Cc1ccon1 ZINC000939506693 699630751 /nfs/dbraw/zinc/63/07/51/699630751.db2.gz QEOZKAGZJQGBMG-RDTXWAMCSA-N 2 1 346.475 1.733 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)sn1 ZINC000939757640 699924831 /nfs/dbraw/zinc/92/48/31/699924831.db2.gz ZKYHDBSVPHIOMJ-XHDPSFHLSA-N 2 1 333.461 1.593 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941668020 701622303 /nfs/dbraw/zinc/62/23/03/701622303.db2.gz BQCUDTDWZPYUCW-UHFFFAOYSA-N 2 1 345.491 1.210 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)no1 ZINC000939811313 699959337 /nfs/dbraw/zinc/95/93/37/699959337.db2.gz RTPYCLSKAWUHJJ-PBHICJAKSA-N 2 1 334.464 1.796 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NCc2nc(C)no2)CC1 ZINC000940142262 700270429 /nfs/dbraw/zinc/27/04/29/700270429.db2.gz MTXSVIIGRVJLEC-HNNXBMFYSA-N 2 1 349.479 1.723 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nc(C)no2)CC1 ZINC000940142262 700270433 /nfs/dbraw/zinc/27/04/33/700270433.db2.gz MTXSVIIGRVJLEC-HNNXBMFYSA-N 2 1 349.479 1.723 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nc(C)no2)CC1 ZINC000940142262 700270438 /nfs/dbraw/zinc/27/04/38/700270438.db2.gz MTXSVIIGRVJLEC-HNNXBMFYSA-N 2 1 349.479 1.723 20 0 EDADMP CC1([NH2+]C[C@@H]2CCCCO2)CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC000940144826 700274889 /nfs/dbraw/zinc/27/48/89/700274889.db2.gz PSEJIYLRZVALLB-INIZCTEOSA-N 2 1 334.464 1.882 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cncc(C)c2)C1 ZINC000995042133 700277062 /nfs/dbraw/zinc/27/70/62/700277062.db2.gz ZHJRZQMKLQUQKZ-FUHWJXTLSA-N 2 1 341.459 1.970 20 0 EDADMP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)co1 ZINC000940178847 700312256 /nfs/dbraw/zinc/31/22/56/700312256.db2.gz NCILLSWZPTWBTM-INIZCTEOSA-N 2 1 334.464 1.938 20 0 EDADMP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000940179497 700313265 /nfs/dbraw/zinc/31/32/65/700313265.db2.gz WAVYZZHZLWBKEK-MRXNPFEDSA-N 2 1 333.480 1.375 20 0 EDADMP CC1([NH2+]Cc2cnsn2)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000940200399 700358638 /nfs/dbraw/zinc/35/86/38/700358638.db2.gz OVYGGLWJBJVJLH-UHFFFAOYSA-N 2 1 349.504 1.637 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000940211743 700377928 /nfs/dbraw/zinc/37/79/28/700377928.db2.gz LKTBPIANQUAKGL-CVEARBPZSA-N 2 1 334.464 1.730 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]Cc3nncs3)CC2)C1 ZINC000940328087 700505792 /nfs/dbraw/zinc/50/57/92/700505792.db2.gz FKTVURQIBLDYPK-ZDUSSCGKSA-N 2 1 337.493 1.351 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940329633 700508989 /nfs/dbraw/zinc/50/89/89/700508989.db2.gz WDQXNVQHRRZMSM-LSDHHAIUSA-N 2 1 331.464 1.145 20 0 EDADMP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)on1 ZINC000940329869 700509687 /nfs/dbraw/zinc/50/96/87/700509687.db2.gz ZBLBUOAKFCKNHT-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000940457450 700660960 /nfs/dbraw/zinc/66/09/60/700660960.db2.gz GOBVLQOVBJCCNI-INIZCTEOSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000940461512 700664560 /nfs/dbraw/zinc/66/45/60/700664560.db2.gz FKQVPBZUMAFONO-MRXNPFEDSA-N 2 1 331.464 1.207 20 0 EDADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)ncn1 ZINC000940625866 700788155 /nfs/dbraw/zinc/78/81/55/700788155.db2.gz VZJZMOLCHIDVRN-SJORKVTESA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)ncn1 ZINC000940625866 700788157 /nfs/dbraw/zinc/78/81/57/700788157.db2.gz VZJZMOLCHIDVRN-SJORKVTESA-N 2 1 345.491 1.596 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)ncn1 ZINC000940625866 700788158 /nfs/dbraw/zinc/78/81/58/700788158.db2.gz VZJZMOLCHIDVRN-SJORKVTESA-N 2 1 345.491 1.596 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCC(C)(C)C)CC2(C)C)C1 ZINC000940648399 700810860 /nfs/dbraw/zinc/81/08/60/700810860.db2.gz AZPNGKCHVDODBE-HZPDHXFCSA-N 2 1 339.524 1.970 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCC(C)(C)C)CC2(C)C)C1 ZINC000940648399 700810863 /nfs/dbraw/zinc/81/08/63/700810863.db2.gz AZPNGKCHVDODBE-HZPDHXFCSA-N 2 1 339.524 1.970 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)CC2(C)C)C1 ZINC000940648399 700810865 /nfs/dbraw/zinc/81/08/65/700810865.db2.gz AZPNGKCHVDODBE-HZPDHXFCSA-N 2 1 339.524 1.970 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)CC2(C)C)C1 ZINC000940648399 700810868 /nfs/dbraw/zinc/81/08/68/700810868.db2.gz AZPNGKCHVDODBE-HZPDHXFCSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCO)CC1(C)C ZINC000940800922 700906364 /nfs/dbraw/zinc/90/63/64/700906364.db2.gz KEDSQFFKBBQXOL-HOTGVXAUSA-N 2 1 325.497 1.458 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CCO)CC1(C)C ZINC000940800922 700906365 /nfs/dbraw/zinc/90/63/65/700906365.db2.gz KEDSQFFKBBQXOL-HOTGVXAUSA-N 2 1 325.497 1.458 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CCO)CC1(C)C ZINC000940800922 700906367 /nfs/dbraw/zinc/90/63/67/700906367.db2.gz KEDSQFFKBBQXOL-HOTGVXAUSA-N 2 1 325.497 1.458 20 0 EDADMP CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029703 701070567 /nfs/dbraw/zinc/07/05/67/701070567.db2.gz ZIHNXBOKJXAJHI-CVEARBPZSA-N 2 1 339.524 1.970 20 0 EDADMP CO[C@H](C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029703 701070569 /nfs/dbraw/zinc/07/05/69/701070569.db2.gz ZIHNXBOKJXAJHI-CVEARBPZSA-N 2 1 339.524 1.970 20 0 EDADMP CO[C@H](C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029703 701070571 /nfs/dbraw/zinc/07/05/71/701070571.db2.gz ZIHNXBOKJXAJHI-CVEARBPZSA-N 2 1 339.524 1.970 20 0 EDADMP CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941078686 701140456 /nfs/dbraw/zinc/14/04/56/701140456.db2.gz ISZDQAYGXKZLLK-RDJZCZTQSA-N 2 1 339.524 1.970 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)c(C)o1 ZINC000999168471 706596283 /nfs/dbraw/zinc/59/62/83/706596283.db2.gz BLAFUUZYWZTKEG-IRXDYDNUSA-N 2 1 346.475 1.714 20 0 EDADMP CC1(C)C[N@@H+](C[C@@H]2CCCOC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166984 701377896 /nfs/dbraw/zinc/37/78/96/701377896.db2.gz NVFRHQOIYRCINN-DLBZAZTESA-N 2 1 349.519 1.726 20 0 EDADMP CCn1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941217884 701398321 /nfs/dbraw/zinc/39/83/21/701398321.db2.gz UHMAVSURDAPTRL-NVXWUHKLSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941217884 701398323 /nfs/dbraw/zinc/39/83/23/701398323.db2.gz UHMAVSURDAPTRL-NVXWUHKLSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC000941217884 701398324 /nfs/dbraw/zinc/39/83/24/701398324.db2.gz UHMAVSURDAPTRL-NVXWUHKLSA-N 2 1 347.507 1.571 20 0 EDADMP CCn1ccc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC000941217884 701398326 /nfs/dbraw/zinc/39/83/26/701398326.db2.gz UHMAVSURDAPTRL-NVXWUHKLSA-N 2 1 347.507 1.571 20 0 EDADMP Cc1nc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)c(C)o1 ZINC000941216501 701402930 /nfs/dbraw/zinc/40/29/30/701402930.db2.gz DKVULJCQIWSEDX-DOTOQJQBSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)c(C)o1 ZINC000941216501 701402931 /nfs/dbraw/zinc/40/29/31/701402931.db2.gz DKVULJCQIWSEDX-DOTOQJQBSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)c(C)o1 ZINC000941216501 701402932 /nfs/dbraw/zinc/40/29/32/701402932.db2.gz DKVULJCQIWSEDX-DOTOQJQBSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)c(C)o1 ZINC000941216501 701402933 /nfs/dbraw/zinc/40/29/33/701402933.db2.gz DKVULJCQIWSEDX-DOTOQJQBSA-N 2 1 348.491 1.960 20 0 EDADMP Cc1ccccc1OCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976482 701962485 /nfs/dbraw/zinc/96/24/85/701962485.db2.gz MTFMUGOILIEPNZ-WMZOPIPTSA-N 2 1 345.487 1.620 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999188504 706629993 /nfs/dbraw/zinc/62/99/93/706629993.db2.gz AZCULTNPBHYGKE-DJIMGWMZSA-N 2 1 333.480 1.149 20 0 EDADMP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000999190423 706633201 /nfs/dbraw/zinc/63/32/01/706633201.db2.gz QXJFHRAVHPEDCE-KBAYOESNSA-N 2 1 330.476 1.811 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3ncccn3)C(C)(C)C2)CC[N@H+]1C ZINC000995823354 702093344 /nfs/dbraw/zinc/09/33/44/702093344.db2.gz FWHQMPFMAGCJAP-KFWWJZLASA-N 2 1 331.464 1.143 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)CC[N@@H+]1C ZINC000995823354 702093352 /nfs/dbraw/zinc/09/33/52/702093352.db2.gz FWHQMPFMAGCJAP-KFWWJZLASA-N 2 1 331.464 1.143 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)CC[N@H+]1C ZINC000995823354 702093360 /nfs/dbraw/zinc/09/33/60/702093360.db2.gz FWHQMPFMAGCJAP-KFWWJZLASA-N 2 1 331.464 1.143 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)o1 ZINC000995826215 702098768 /nfs/dbraw/zinc/09/87/68/702098768.db2.gz PGTJQWPFWZJRIY-RBSFLKMASA-N 2 1 334.464 1.650 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)o1 ZINC000995826215 702098774 /nfs/dbraw/zinc/09/87/74/702098774.db2.gz PGTJQWPFWZJRIY-RBSFLKMASA-N 2 1 334.464 1.650 20 0 EDADMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)n1 ZINC000995898428 702202969 /nfs/dbraw/zinc/20/29/69/702202969.db2.gz UPRFASONIVTLLY-OAHLLOKOSA-N 2 1 345.491 1.596 20 0 EDADMP COc1cccc(OCC[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032182563 702204168 /nfs/dbraw/zinc/20/41/68/702204168.db2.gz NPZPHXWHYIDAAJ-INIZCTEOSA-N 2 1 347.459 1.074 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)n1 ZINC000995900239 702206007 /nfs/dbraw/zinc/20/60/07/702206007.db2.gz XHKHNSMRHCKWCP-DOTOQJQBSA-N 2 1 345.491 1.452 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nonc2C)C(C)(C)C1 ZINC000995886632 702222416 /nfs/dbraw/zinc/22/24/16/702222416.db2.gz NDSNGMMFCULNEU-CVEARBPZSA-N 2 1 349.479 1.579 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nonc2C)C(C)(C)C1 ZINC000995886632 702222419 /nfs/dbraw/zinc/22/24/19/702222419.db2.gz NDSNGMMFCULNEU-CVEARBPZSA-N 2 1 349.479 1.579 20 0 EDADMP C[N@H+](CC(=O)N1C[C@H]([NH2+]Cc2nccs2)C(C)(C)C1)C1CCC1 ZINC000995921902 702245067 /nfs/dbraw/zinc/24/50/67/702245067.db2.gz ZMYMCLRVQMLUMO-AWEZNQCLSA-N 2 1 336.505 1.954 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@H]([NH2+]Cc2nccs2)C(C)(C)C1)C1CCC1 ZINC000995921902 702245070 /nfs/dbraw/zinc/24/50/70/702245070.db2.gz ZMYMCLRVQMLUMO-AWEZNQCLSA-N 2 1 336.505 1.954 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cncs3)C2)CC1 ZINC001015929919 702320434 /nfs/dbraw/zinc/32/04/34/702320434.db2.gz FLJZUXFIUIOUNO-OAHLLOKOSA-N 2 1 336.505 1.954 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cncs3)C2)CC1 ZINC001015929919 702320441 /nfs/dbraw/zinc/32/04/41/702320441.db2.gz FLJZUXFIUIOUNO-OAHLLOKOSA-N 2 1 336.505 1.954 20 0 EDADMP Cn1nccc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995985795 702346780 /nfs/dbraw/zinc/34/67/80/702346780.db2.gz XKYIMMPYLDBHNM-HOTGVXAUSA-N 2 1 333.480 1.231 20 0 EDADMP Cn1ccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995972939 702358175 /nfs/dbraw/zinc/35/81/75/702358175.db2.gz FJMJTEDYCUOBFJ-CVEARBPZSA-N 2 1 333.480 1.231 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccnc3)C2)CC[N@H+]1C ZINC000999211256 706663767 /nfs/dbraw/zinc/66/37/67/706663767.db2.gz XQLQITXMKGEDBC-OKZBNKHCSA-N 2 1 330.476 1.893 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944169115 702410407 /nfs/dbraw/zinc/41/04/07/702410407.db2.gz MDTKDBJFDCJHFZ-ZBFHGGJFSA-N 2 1 343.475 1.207 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000996043988 702436895 /nfs/dbraw/zinc/43/68/95/702436895.db2.gz RAQKKSOEFPUUOC-MRXNPFEDSA-N 2 1 327.432 1.613 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CC(C)(C)CO2)CC1 ZINC001032665845 706678788 /nfs/dbraw/zinc/67/87/88/706678788.db2.gz IVCBVSYHUMLXEG-BZSNNMDCSA-N 2 1 349.519 1.819 20 0 EDADMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCCO2)CC1 ZINC001032665870 706678818 /nfs/dbraw/zinc/67/88/18/706678818.db2.gz JTNWAJVRRCUATF-BZSNNMDCSA-N 2 1 335.492 1.573 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)o1 ZINC000996299729 702690373 /nfs/dbraw/zinc/69/03/73/702690373.db2.gz DKJLPVHEZMVJEF-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996300390 702691797 /nfs/dbraw/zinc/69/17/97/702691797.db2.gz LHNIUMSLCSIZKI-CXAGYDPISA-N 2 1 329.460 1.018 20 0 EDADMP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ncc(C)cn2)C(C)(C)C1)[NH+](C)C ZINC000996313024 702701548 /nfs/dbraw/zinc/70/15/48/702701548.db2.gz BZAWSBRTNFWDJM-GJZGRUSLSA-N 2 1 333.480 1.452 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000995219487 702761137 /nfs/dbraw/zinc/76/11/37/702761137.db2.gz YWGKLJOGCFNVAQ-DOTOQJQBSA-N 2 1 342.447 1.365 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)[nH]1 ZINC000996500597 702839734 /nfs/dbraw/zinc/83/97/34/702839734.db2.gz HBLDKQOFWNQBRG-ZBFHGGJFSA-N 2 1 346.479 1.068 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)o1 ZINC000996520555 702856278 /nfs/dbraw/zinc/85/62/78/702856278.db2.gz PNJRGUWIVRNETR-CABCVRRESA-N 2 1 346.475 1.966 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)nc1 ZINC000996520721 702856809 /nfs/dbraw/zinc/85/68/09/702856809.db2.gz UNRQDWRARGIHNM-HZPDHXFCSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)nc1 ZINC000996520721 702856812 /nfs/dbraw/zinc/85/68/12/702856812.db2.gz UNRQDWRARGIHNM-HZPDHXFCSA-N 2 1 345.491 1.453 20 0 EDADMP CCc1onc(C)c1C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996606988 702910397 /nfs/dbraw/zinc/91/03/97/702910397.db2.gz BRTLSERMXWTTAK-YOEHRIQHSA-N 2 1 348.491 1.824 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)nn1C ZINC000996608766 702912159 /nfs/dbraw/zinc/91/21/59/702912159.db2.gz HNOYBKQBCPYNRG-GDBMZVCRSA-N 2 1 333.480 1.007 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([NH2+][C@H](CC)C(N)=O)CC1 ZINC000996611354 702916438 /nfs/dbraw/zinc/91/64/38/702916438.db2.gz JIZCVOOUUPCSRH-DZGCQCFKSA-N 2 1 349.479 1.241 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996614203 702919675 /nfs/dbraw/zinc/91/96/75/702919675.db2.gz ZQMMHTCWRUHTDP-AWEZNQCLSA-N 2 1 333.461 1.675 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996618994 702925398 /nfs/dbraw/zinc/92/53/98/702925398.db2.gz YAKNFOFXLZQHDH-HIFRSBDPSA-N 2 1 334.464 1.515 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996618994 702925400 /nfs/dbraw/zinc/92/54/00/702925400.db2.gz YAKNFOFXLZQHDH-HIFRSBDPSA-N 2 1 334.464 1.515 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996662064 702959399 /nfs/dbraw/zinc/95/93/99/702959399.db2.gz OQRHNZGHGWYGGX-SJLPKXTDSA-N 2 1 337.508 1.868 20 0 EDADMP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996674780 702969964 /nfs/dbraw/zinc/96/99/64/702969964.db2.gz WTZZXSMLRRCWCO-OAHLLOKOSA-N 2 1 348.495 1.018 20 0 EDADMP Cc1nonc1C[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996669598 702971456 /nfs/dbraw/zinc/97/14/56/702971456.db2.gz PVHLFBYNUOZZIR-INIZCTEOSA-N 2 1 349.479 1.722 20 0 EDADMP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000996670770 702972254 /nfs/dbraw/zinc/97/22/54/702972254.db2.gz DPCZROBVLMQJDC-UHFFFAOYSA-N 2 1 348.495 1.171 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000996671852 702972682 /nfs/dbraw/zinc/97/26/82/702972682.db2.gz OLTABEOQCPTVBC-CABCVRRESA-N 2 1 348.495 1.016 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000996671852 702972683 /nfs/dbraw/zinc/97/26/83/702972683.db2.gz OLTABEOQCPTVBC-CABCVRRESA-N 2 1 348.495 1.016 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]Cc2nccs2)CC1 ZINC000996677449 702976438 /nfs/dbraw/zinc/97/64/38/702976438.db2.gz JRIPHGIOLOCULD-CQSZACIVSA-N 2 1 345.472 1.998 20 0 EDADMP Cc1oncc1C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000996685823 702983580 /nfs/dbraw/zinc/98/35/80/702983580.db2.gz AYMNQCFAKAIGLI-QGZVFWFLSA-N 2 1 334.464 1.938 20 0 EDADMP Cn1nccc1C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000996687115 702984465 /nfs/dbraw/zinc/98/44/65/702984465.db2.gz GCFHEBWFZAVPQJ-MRXNPFEDSA-N 2 1 333.480 1.375 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000996690108 702987297 /nfs/dbraw/zinc/98/72/97/702987297.db2.gz OXCWXXLNRFYBKE-GOSISDBHSA-N 2 1 347.507 1.684 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996715917 703009136 /nfs/dbraw/zinc/00/91/36/703009136.db2.gz GRYMUOMHROHJAP-HZPDHXFCSA-N 2 1 349.504 1.636 20 0 EDADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996715917 703009139 /nfs/dbraw/zinc/00/91/39/703009139.db2.gz GRYMUOMHROHJAP-HZPDHXFCSA-N 2 1 349.504 1.636 20 0 EDADMP Cc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)c1 ZINC000996719092 703013053 /nfs/dbraw/zinc/01/30/53/703013053.db2.gz XHZMHJZYPRTIFV-VQIMIIECSA-N 2 1 345.487 1.795 20 0 EDADMP Cc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)c1 ZINC000996719092 703013056 /nfs/dbraw/zinc/01/30/56/703013056.db2.gz XHZMHJZYPRTIFV-VQIMIIECSA-N 2 1 345.487 1.795 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000996727509 703022376 /nfs/dbraw/zinc/02/23/76/703022376.db2.gz GPIPKRVJZYSEGX-MRXNPFEDSA-N 2 1 348.495 1.171 20 0 EDADMP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000996728520 703023643 /nfs/dbraw/zinc/02/36/43/703023643.db2.gz KSAITKJHGPPAHX-OAHLLOKOSA-N 2 1 347.463 1.512 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000996728520 703023644 /nfs/dbraw/zinc/02/36/44/703023644.db2.gz KSAITKJHGPPAHX-OAHLLOKOSA-N 2 1 347.463 1.512 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000996755406 703044309 /nfs/dbraw/zinc/04/43/09/703044309.db2.gz CQGXROCKAVRWIX-QGZVFWFLSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1nc(CN2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)n[nH]1 ZINC000942556268 703070513 /nfs/dbraw/zinc/07/05/13/703070513.db2.gz YMVPHMWAXWIUAV-HIFRSBDPSA-N 2 1 348.495 1.314 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000942597970 703112683 /nfs/dbraw/zinc/11/26/83/703112683.db2.gz PAEDXGDCGWNMTB-SUMWQHHRSA-N 2 1 348.491 1.960 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cncs2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598045 703112708 /nfs/dbraw/zinc/11/27/08/703112708.db2.gz QOXNLLPKVSTLBM-CZUORRHYSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C)CCO1 ZINC001032332928 703117838 /nfs/dbraw/zinc/11/78/38/703117838.db2.gz GKZHQLVNVCVNQW-JENIJYKNSA-N 2 1 343.471 1.419 20 0 EDADMP Cc1cccc(C)c1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C)CCO1 ZINC001032332928 703117839 /nfs/dbraw/zinc/11/78/39/703117839.db2.gz GKZHQLVNVCVNQW-JENIJYKNSA-N 2 1 343.471 1.419 20 0 EDADMP O=C(NCC1C[NH+](CC2CCOCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032043147 703216108 /nfs/dbraw/zinc/21/61/08/703216108.db2.gz WARCRIXVXZJOEQ-QZTJIDSGSA-N 2 1 335.492 1.478 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942719457 703234018 /nfs/dbraw/zinc/23/40/18/703234018.db2.gz FWTVUGHHEBFFMZ-LPHOPBHVSA-N 2 1 347.503 1.877 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)ncn1 ZINC000996980591 703235775 /nfs/dbraw/zinc/23/57/75/703235775.db2.gz SISXEPVHCRKVDH-CRAIPNDOSA-N 2 1 345.491 1.596 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)NCC2C[NH+](Cc3ccsc3)C2)cn1 ZINC001032044448 703241387 /nfs/dbraw/zinc/24/13/87/703241387.db2.gz RSOYKIQOEMEAPE-UHFFFAOYSA-N 2 1 347.488 1.368 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)ccn1 ZINC000996995384 703252037 /nfs/dbraw/zinc/25/20/37/703252037.db2.gz OEPUMWVVFJWISN-OAHLLOKOSA-N 2 1 346.475 1.655 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)co1 ZINC000997002432 703258957 /nfs/dbraw/zinc/25/89/57/703258957.db2.gz WIINMFHQKPOJBA-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC000997002352 703258979 /nfs/dbraw/zinc/25/89/79/703258979.db2.gz VLAQEIJAIBMGEH-CYBMUJFWSA-N 2 1 346.479 1.247 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1)c1cnccn1 ZINC000997002312 703258984 /nfs/dbraw/zinc/25/89/84/703258984.db2.gz VHLUTGXJYQJQNA-CABCVRRESA-N 2 1 331.464 1.603 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)[nH]1 ZINC000997002654 703259178 /nfs/dbraw/zinc/25/91/78/703259178.db2.gz XTFUGQCOCLBWIT-KGLIPLIRSA-N 2 1 348.495 1.493 20 0 EDADMP CCc1nocc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997008972 703261689 /nfs/dbraw/zinc/26/16/89/703261689.db2.gz NPTVAOWWNAPLAJ-CJNGLKHVSA-N 2 1 334.464 1.515 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)C1 ZINC000997008527 703266618 /nfs/dbraw/zinc/26/66/18/703266618.db2.gz VFEKFILPOWUCDE-INIZCTEOSA-N 2 1 345.487 1.601 20 0 EDADMP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000997011420 703271684 /nfs/dbraw/zinc/27/16/84/703271684.db2.gz VIYCXRRXQKCOJQ-MLGOLLRUSA-N 2 1 334.464 1.570 20 0 EDADMP COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997012538 703272316 /nfs/dbraw/zinc/27/23/16/703272316.db2.gz XRQQEMPDULLUBB-PBHICJAKSA-N 2 1 346.475 1.369 20 0 EDADMP Cc1cccnc1C[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000997094903 703334167 /nfs/dbraw/zinc/33/41/67/703334167.db2.gz VTJIFSOXEMTEES-UHFFFAOYSA-N 2 1 346.475 1.193 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997182554 703467619 /nfs/dbraw/zinc/46/76/19/703467619.db2.gz GRAYWKMTAFRBAB-OAHLLOKOSA-N 2 1 348.495 1.029 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997180379 703470531 /nfs/dbraw/zinc/47/05/31/703470531.db2.gz QGPQNTOOUKAHFG-KGLIPLIRSA-N 2 1 349.479 1.615 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997185861 703475134 /nfs/dbraw/zinc/47/51/34/703475134.db2.gz SXTJGNMCBZJSJF-UONOGXRCSA-N 2 1 348.495 1.351 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](CCCF)CC2)C1 ZINC000997270944 703533609 /nfs/dbraw/zinc/53/36/09/703533609.db2.gz CKOJRGUZFPQYMA-NVXWUHKLSA-N 2 1 343.487 1.672 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](CCCF)CC2)C1 ZINC000997270944 703533610 /nfs/dbraw/zinc/53/36/10/703533610.db2.gz CKOJRGUZFPQYMA-NVXWUHKLSA-N 2 1 343.487 1.672 20 0 EDADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000997260185 703539741 /nfs/dbraw/zinc/53/97/41/703539741.db2.gz GKOBCGATJUVDBO-BPQIPLTHSA-N 2 1 337.508 1.866 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3nc4ccccc4o3)CC2)C1 ZINC000997300484 703544085 /nfs/dbraw/zinc/54/40/85/703544085.db2.gz VUEDGPQJJZFUGL-CQSZACIVSA-N 2 1 342.443 1.860 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)C2CC[NH+](CCCO)CC2)C1 ZINC000997280527 703545835 /nfs/dbraw/zinc/54/58/35/703545835.db2.gz UZEVZKXAJMPXSQ-SJLPKXTDSA-N 2 1 339.524 1.708 20 0 EDADMP COc1ccnc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000997298882 703556400 /nfs/dbraw/zinc/55/64/00/703556400.db2.gz KOFRUNWRDIEQTN-AWEZNQCLSA-N 2 1 332.448 1.123 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000997366785 703600815 /nfs/dbraw/zinc/60/08/15/703600815.db2.gz KVEURUDOKACPAF-GOSISDBHSA-N 2 1 347.507 1.418 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(C)cn2)CC1 ZINC000997366800 703600834 /nfs/dbraw/zinc/60/08/34/703600834.db2.gz LQCSUMNNLCGXNX-KRWDZBQOSA-N 2 1 345.491 1.740 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(CO)cc1)[NH+](C)C ZINC001032460565 703641789 /nfs/dbraw/zinc/64/17/89/703641789.db2.gz RVJNRQOKTOYSBO-FHWLQOOXSA-N 2 1 345.487 1.550 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(CO)cc1)[NH+](C)C ZINC001032460565 703641790 /nfs/dbraw/zinc/64/17/90/703641790.db2.gz RVJNRQOKTOYSBO-FHWLQOOXSA-N 2 1 345.487 1.550 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)c1ccccc1F)[NH+](C)C ZINC001032474215 703693016 /nfs/dbraw/zinc/69/30/16/703693016.db2.gz QQISZPWGKJYOLI-LBTBCDHLSA-N 2 1 349.450 1.484 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)c1ccccc1F)[NH+](C)C ZINC001032474215 703693018 /nfs/dbraw/zinc/69/30/18/703693018.db2.gz QQISZPWGKJYOLI-LBTBCDHLSA-N 2 1 349.450 1.484 20 0 EDADMP COC(=O)[C@H](C)Oc1ccccc1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000921634244 703787464 /nfs/dbraw/zinc/78/74/64/703787464.db2.gz SJTDANAQESCKPT-DZGCQCFKSA-N 2 1 329.400 1.928 20 0 EDADMP CCc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000997614688 703912458 /nfs/dbraw/zinc/91/24/58/703912458.db2.gz RXNFAJNUMMLTMV-ZFWWWQNUSA-N 2 1 349.479 1.615 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001004204045 703942170 /nfs/dbraw/zinc/94/21/70/703942170.db2.gz ODTGZHAAFYWPQZ-IYBDPMFKSA-N 2 1 347.507 1.416 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922547141 703953530 /nfs/dbraw/zinc/95/35/30/703953530.db2.gz OVLXGSJBROVWMB-HRCADAONSA-N 2 1 342.553 1.986 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922547141 703953531 /nfs/dbraw/zinc/95/35/31/703953531.db2.gz OVLXGSJBROVWMB-HRCADAONSA-N 2 1 342.553 1.986 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000922547141 703953533 /nfs/dbraw/zinc/95/35/33/703953533.db2.gz OVLXGSJBROVWMB-HRCADAONSA-N 2 1 342.553 1.986 20 0 EDADMP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)s1 ZINC000995551366 703956242 /nfs/dbraw/zinc/95/62/42/703956242.db2.gz MHGNYBIBQFVDHB-HUUCEWRRSA-N 2 1 336.505 1.872 20 0 EDADMP CCc1onc(C)c1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995552322 703959402 /nfs/dbraw/zinc/95/94/02/703959402.db2.gz QFCHBPKFKDLOEA-WBVHZDCISA-N 2 1 348.491 1.966 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)nc1 ZINC000995552683 703960815 /nfs/dbraw/zinc/96/08/15/703960815.db2.gz RIIGGRLURKUGJJ-LSDHHAIUSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)nc1 ZINC000995552683 703960820 /nfs/dbraw/zinc/96/08/20/703960820.db2.gz RIIGGRLURKUGJJ-LSDHHAIUSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1nnsc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995553716 703965473 /nfs/dbraw/zinc/96/54/73/703965473.db2.gz SVEJZKWSUKXYQG-OCCSQVGLSA-N 2 1 337.493 1.267 20 0 EDADMP Cc1cc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1C ZINC001033094937 704174124 /nfs/dbraw/zinc/17/41/24/704174124.db2.gz LFPDRJOIJMWGIT-HYVNUMGLSA-N 2 1 333.480 1.101 20 0 EDADMP C[N@@H+](CCCCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)C1CC1 ZINC000922808560 704384860 /nfs/dbraw/zinc/38/48/60/704384860.db2.gz CAMJMBJJWOCSCA-CVEARBPZSA-N 2 1 340.537 1.740 20 0 EDADMP C[NH+](CCCCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C1CC1 ZINC000922808560 704384863 /nfs/dbraw/zinc/38/48/63/704384863.db2.gz CAMJMBJJWOCSCA-CVEARBPZSA-N 2 1 340.537 1.740 20 0 EDADMP C[NH+](CCCCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C1CC1 ZINC000922808560 704384866 /nfs/dbraw/zinc/38/48/66/704384866.db2.gz CAMJMBJJWOCSCA-CVEARBPZSA-N 2 1 340.537 1.740 20 0 EDADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997824384 704743870 /nfs/dbraw/zinc/74/38/70/704743870.db2.gz RQUPNQDWZQPGPG-QGZVFWFLSA-N 2 1 333.480 1.052 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]Cc2cnns2)CC1)C1CCC1 ZINC000997831987 704750007 /nfs/dbraw/zinc/75/00/07/704750007.db2.gz WYUZPCBMDCVWEY-UHFFFAOYSA-N 2 1 337.493 1.351 20 0 EDADMP CC[C@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2noc(C)n2)CC1)[NH+](C)C ZINC000997857101 704769859 /nfs/dbraw/zinc/76/98/59/704769859.db2.gz WFDSQMVSRSLJDA-SWLSCSKDSA-N 2 1 337.468 1.607 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000997863492 704770445 /nfs/dbraw/zinc/77/04/45/704770445.db2.gz ADKPUQMLGLCZJZ-SFHVURJKSA-N 2 1 345.491 1.598 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000997864522 704771237 /nfs/dbraw/zinc/77/12/37/704771237.db2.gz KILIVTWXONVMJE-HNNXBMFYSA-N 2 1 337.493 1.351 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944946206 704798864 /nfs/dbraw/zinc/79/88/64/704798864.db2.gz VJAKILAEJZJRRJ-WBVHZDCISA-N 2 1 346.475 1.513 20 0 EDADMP Cc1nccn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000944965354 704836212 /nfs/dbraw/zinc/83/62/12/704836212.db2.gz RGCIBAXQTHSKOF-WMLDXEAASA-N 2 1 327.432 1.613 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000944965354 704836222 /nfs/dbraw/zinc/83/62/22/704836222.db2.gz RGCIBAXQTHSKOF-WMLDXEAASA-N 2 1 327.432 1.613 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOC2CCC2)C1 ZINC001032581107 705001446 /nfs/dbraw/zinc/00/14/46/705001446.db2.gz IMFSASGVBZFJHH-BZSNNMDCSA-N 2 1 349.519 1.963 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOC2CCC2)C1 ZINC001032581107 705001448 /nfs/dbraw/zinc/00/14/48/705001448.db2.gz IMFSASGVBZFJHH-BZSNNMDCSA-N 2 1 349.519 1.963 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOC2CCC2)C1 ZINC001032581107 705001449 /nfs/dbraw/zinc/00/14/49/705001449.db2.gz IMFSASGVBZFJHH-BZSNNMDCSA-N 2 1 349.519 1.963 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOC2CCC2)C1 ZINC001032581107 705001455 /nfs/dbraw/zinc/00/14/55/705001455.db2.gz IMFSASGVBZFJHH-BZSNNMDCSA-N 2 1 349.519 1.963 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000998077423 705297847 /nfs/dbraw/zinc/29/78/47/705297847.db2.gz FVCMGCJSEFQFLY-JSGCOSHPSA-N 2 1 337.493 1.064 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000998081557 705301937 /nfs/dbraw/zinc/30/19/37/705301937.db2.gz JKLYYBDXSFVFDS-ZIAGYGMSSA-N 2 1 349.479 1.609 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC000998081613 705303286 /nfs/dbraw/zinc/30/32/86/705303286.db2.gz KQTBJISKEFPXNZ-FUHWJXTLSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1cc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)on1 ZINC000998082436 705309223 /nfs/dbraw/zinc/30/92/23/705309223.db2.gz OZXCNCIHAFCTQI-OAHLLOKOSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000998084105 705314450 /nfs/dbraw/zinc/31/44/50/705314450.db2.gz ZQSZHUVDULBUCW-BBRMVZONSA-N 2 1 334.464 1.509 20 0 EDADMP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000998217664 705540155 /nfs/dbraw/zinc/54/01/55/705540155.db2.gz PYHVOICVEGNMKF-BBRMVZONSA-N 2 1 348.495 1.344 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000998263911 705633952 /nfs/dbraw/zinc/63/39/52/705633952.db2.gz BDUUQDIJBHUKGY-HIFRSBDPSA-N 2 1 348.495 1.208 20 0 EDADMP CCc1noc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998265951 705637544 /nfs/dbraw/zinc/63/75/44/705637544.db2.gz NHEJKACZQRZMFN-ZFWWWQNUSA-N 2 1 349.479 1.473 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C)o2)CC1 ZINC000998286992 705678430 /nfs/dbraw/zinc/67/84/30/705678430.db2.gz NUYCOCFHJXYVKP-INIZCTEOSA-N 2 1 349.479 1.581 20 0 EDADMP CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C(F)(F)F ZINC000998308267 705721441 /nfs/dbraw/zinc/72/14/41/705721441.db2.gz ZBYQVODUJRWOKA-CHWSQXEVSA-N 2 1 337.386 1.098 20 0 EDADMP CCn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC[C@H]2C)cn1 ZINC001032626305 705723803 /nfs/dbraw/zinc/72/38/03/705723803.db2.gz CXKRIRXREPHWNB-NJAFHUGGSA-N 2 1 345.491 1.215 20 0 EDADMP CCn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC[C@H]2C)cn1 ZINC001032626305 705723805 /nfs/dbraw/zinc/72/38/05/705723805.db2.gz CXKRIRXREPHWNB-NJAFHUGGSA-N 2 1 345.491 1.215 20 0 EDADMP CCn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CCC[C@H]2C)cn1 ZINC001032626305 705723807 /nfs/dbraw/zinc/72/38/07/705723807.db2.gz CXKRIRXREPHWNB-NJAFHUGGSA-N 2 1 345.491 1.215 20 0 EDADMP CCn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CCC[C@H]2C)cn1 ZINC001032626305 705723808 /nfs/dbraw/zinc/72/38/08/705723808.db2.gz CXKRIRXREPHWNB-NJAFHUGGSA-N 2 1 345.491 1.215 20 0 EDADMP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CCC[C@H]2C)n1 ZINC001032626680 705725604 /nfs/dbraw/zinc/72/56/04/705725604.db2.gz JZDYCCHVERFMRB-NJAFHUGGSA-N 2 1 345.491 1.269 20 0 EDADMP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CCC[C@H]2C)n1 ZINC001032626680 705725608 /nfs/dbraw/zinc/72/56/08/705725608.db2.gz JZDYCCHVERFMRB-NJAFHUGGSA-N 2 1 345.491 1.269 20 0 EDADMP Cc1cc(C)n(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC[C@H]2C)n1 ZINC001032626680 705725611 /nfs/dbraw/zinc/72/56/11/705725611.db2.gz JZDYCCHVERFMRB-NJAFHUGGSA-N 2 1 345.491 1.269 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC[C@H]2C)n1 ZINC001032626680 705725615 /nfs/dbraw/zinc/72/56/15/705725615.db2.gz JZDYCCHVERFMRB-NJAFHUGGSA-N 2 1 345.491 1.269 20 0 EDADMP CCO[C@H](CNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)C[NH+](C)C ZINC000921661385 705889045 /nfs/dbraw/zinc/88/90/45/705889045.db2.gz HIRNXDQEAJTRRK-WBVHZDCISA-N 2 1 334.464 1.439 20 0 EDADMP CCO[C@H](CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)C[NH+](C)C ZINC000921661385 705889048 /nfs/dbraw/zinc/88/90/48/705889048.db2.gz HIRNXDQEAJTRRK-WBVHZDCISA-N 2 1 334.464 1.439 20 0 EDADMP CC(C)Cn1ncnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998550407 705987218 /nfs/dbraw/zinc/98/72/18/705987218.db2.gz LZGSNKOKMKCZEC-UYSNPLJNSA-N 2 1 348.495 1.107 20 0 EDADMP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998550763 705987613 /nfs/dbraw/zinc/98/76/13/705987613.db2.gz PFNUQXDPVYAWKE-ZBCRRDGASA-N 2 1 334.464 1.719 20 0 EDADMP Cc1ccc(F)c(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998586985 706025939 /nfs/dbraw/zinc/02/59/39/706025939.db2.gz SNXNUCVSYIBVMH-LEOMRAHMSA-N 2 1 349.450 1.544 20 0 EDADMP Cc1ccc(F)c(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998586985 706025940 /nfs/dbraw/zinc/02/59/40/706025940.db2.gz SNXNUCVSYIBVMH-LEOMRAHMSA-N 2 1 349.450 1.544 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000998719996 706152109 /nfs/dbraw/zinc/15/21/09/706152109.db2.gz HSUGOKDLNGHAAQ-GJZGRUSLSA-N 2 1 332.448 1.727 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000998719996 706152112 /nfs/dbraw/zinc/15/21/12/706152112.db2.gz HSUGOKDLNGHAAQ-GJZGRUSLSA-N 2 1 332.448 1.727 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998762389 706200446 /nfs/dbraw/zinc/20/04/46/706200446.db2.gz CSAHIFKMXXHEQZ-XUJLQICISA-N 2 1 335.452 1.330 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998762389 706200450 /nfs/dbraw/zinc/20/04/50/706200450.db2.gz CSAHIFKMXXHEQZ-XUJLQICISA-N 2 1 335.452 1.330 20 0 EDADMP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000998792446 706238919 /nfs/dbraw/zinc/23/89/19/706238919.db2.gz XMSCEWOCFQOWLT-LHUBUQBQSA-N 2 1 333.480 1.322 20 0 EDADMP Cc1ncsc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998796693 706243477 /nfs/dbraw/zinc/24/34/77/706243477.db2.gz QVFHHZKDSLFKEK-XSCHDIRWSA-N 2 1 336.505 1.871 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncccn2)C1 ZINC000998866649 706296425 /nfs/dbraw/zinc/29/64/25/706296425.db2.gz MXYXLSTXMFVEEI-UYSNPLJNSA-N 2 1 331.464 1.430 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncccn2)C1 ZINC000998866649 706296426 /nfs/dbraw/zinc/29/64/26/706296426.db2.gz MXYXLSTXMFVEEI-UYSNPLJNSA-N 2 1 331.464 1.430 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC[C@H]3CCOC3)C[C@H]2CC1 ZINC000946518122 706574960 /nfs/dbraw/zinc/57/49/60/706574960.db2.gz OELPMVWZHZIWKG-OKYOBFRVSA-N 2 1 349.519 1.678 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1)C1CCC1 ZINC000999364340 706877955 /nfs/dbraw/zinc/87/79/55/706877955.db2.gz MJYHUVQZSRKTDY-MRXNPFEDSA-N 2 1 334.439 1.786 20 0 EDADMP Cc1nc(CN[C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)co1 ZINC000999398403 706892871 /nfs/dbraw/zinc/89/28/71/706892871.db2.gz CYMCRTAAPDFKKJ-RDJZCZTQSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)co1 ZINC000999398403 706892875 /nfs/dbraw/zinc/89/28/75/706892875.db2.gz CYMCRTAAPDFKKJ-RDJZCZTQSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)co1 ZINC000999398403 706892876 /nfs/dbraw/zinc/89/28/76/706892876.db2.gz CYMCRTAAPDFKKJ-RDJZCZTQSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999405741 706914809 /nfs/dbraw/zinc/91/48/09/706914809.db2.gz GZYUGGHLFMLXTK-JQRITLKVSA-N 2 1 334.464 1.855 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)oc1C ZINC000999432575 706940140 /nfs/dbraw/zinc/94/01/40/706940140.db2.gz HSTJLMCWOYHSPT-RDJZCZTQSA-N 2 1 336.480 1.958 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999511837 707010275 /nfs/dbraw/zinc/01/02/75/707010275.db2.gz MQXUWKIRTMNXKW-DOTOQJQBSA-N 2 1 348.495 1.171 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000999511837 707010278 /nfs/dbraw/zinc/01/02/78/707010278.db2.gz MQXUWKIRTMNXKW-DOTOQJQBSA-N 2 1 348.495 1.171 20 0 EDADMP CCCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000999490869 707027133 /nfs/dbraw/zinc/02/71/33/707027133.db2.gz TXTMVFPINYEORF-HUUCEWRRSA-N 2 1 336.484 1.109 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)nc1 ZINC000999596925 707099953 /nfs/dbraw/zinc/09/99/53/707099953.db2.gz BDWPNYGYMQVRHA-UHFFFAOYSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1ncsc1C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999682948 707168312 /nfs/dbraw/zinc/16/83/12/707168312.db2.gz UEUSBYPOVSPREB-NFOMZHRRSA-N 2 1 336.505 1.872 20 0 EDADMP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999702277 707233220 /nfs/dbraw/zinc/23/32/20/707233220.db2.gz AIMUJPHILJRDSS-UHFFFAOYSA-N 2 1 345.447 1.122 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999714910 707252869 /nfs/dbraw/zinc/25/28/69/707252869.db2.gz QYQJUCUVQZJDLR-INIZCTEOSA-N 2 1 331.395 1.506 20 0 EDADMP CCOC1CC(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cncc3C)C2)C1 ZINC001033265678 707289620 /nfs/dbraw/zinc/28/96/20/707289620.db2.gz IHRBZOBNYSDZDT-AQFXKWCLSA-N 2 1 334.464 1.539 20 0 EDADMP CCOC1CC(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001033265678 707289624 /nfs/dbraw/zinc/28/96/24/707289624.db2.gz IHRBZOBNYSDZDT-AQFXKWCLSA-N 2 1 334.464 1.539 20 0 EDADMP CCOC1CC(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001033265678 707289626 /nfs/dbraw/zinc/28/96/26/707289626.db2.gz IHRBZOBNYSDZDT-AQFXKWCLSA-N 2 1 334.464 1.539 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)c1 ZINC001033266033 707290874 /nfs/dbraw/zinc/29/08/74/707290874.db2.gz MLFNOXQSPMFCDL-KRWDZBQOSA-N 2 1 342.443 1.933 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)c1 ZINC001033266033 707290877 /nfs/dbraw/zinc/29/08/77/707290877.db2.gz MLFNOXQSPMFCDL-KRWDZBQOSA-N 2 1 342.443 1.933 20 0 EDADMP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999708479 707300570 /nfs/dbraw/zinc/30/05/70/707300570.db2.gz QZGFDSALKWUBNB-CQSZACIVSA-N 2 1 340.387 1.420 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cnc(C)o3)C[C@H]2CC1)[NH+](C)C ZINC000946784767 707314683 /nfs/dbraw/zinc/31/46/83/707314683.db2.gz SOIQVXHLXOJNBN-JZXOWHBKSA-N 2 1 348.491 1.994 20 0 EDADMP CCc1nc(N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)cc(C)[nH+]1 ZINC001061629628 707386981 /nfs/dbraw/zinc/38/69/81/707386981.db2.gz BYKKFYVIEJODEQ-HNNXBMFYSA-N 2 1 343.475 1.386 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000999838072 707409944 /nfs/dbraw/zinc/40/99/44/707409944.db2.gz VBCSMNLCBXQSHM-UHFFFAOYSA-N 2 1 342.447 1.113 20 0 EDADMP CN(C)c1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000999838902 707411468 /nfs/dbraw/zinc/41/14/68/707411468.db2.gz YXJAHRFBSOOTFS-LRYGQEGESA-N 2 1 344.503 1.783 20 0 EDADMP Cc1cc(CN2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)sn1 ZINC001033194073 707430013 /nfs/dbraw/zinc/43/00/13/707430013.db2.gz BCXMMHHRVYFGJB-GOEBONIOSA-N 2 1 336.505 1.969 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199745 707452332 /nfs/dbraw/zinc/45/23/32/707452332.db2.gz XUIJRQWHEHQWDN-NVXWUHKLSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199745 707452336 /nfs/dbraw/zinc/45/23/36/707452336.db2.gz XUIJRQWHEHQWDN-NVXWUHKLSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033199745 707452339 /nfs/dbraw/zinc/45/23/39/707452339.db2.gz XUIJRQWHEHQWDN-NVXWUHKLSA-N 2 1 334.464 1.808 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033199745 707452341 /nfs/dbraw/zinc/45/23/41/707452341.db2.gz XUIJRQWHEHQWDN-NVXWUHKLSA-N 2 1 334.464 1.808 20 0 EDADMP CC(C)Cc1noc(CNC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999836186 707471114 /nfs/dbraw/zinc/47/11/14/707471114.db2.gz IGWNQBYUSNWYMD-NFOMZHRRSA-N 2 1 349.479 1.299 20 0 EDADMP CC(C)Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000999836186 707471118 /nfs/dbraw/zinc/47/11/18/707471118.db2.gz IGWNQBYUSNWYMD-NFOMZHRRSA-N 2 1 349.479 1.299 20 0 EDADMP CC(C)Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999836186 707471120 /nfs/dbraw/zinc/47/11/20/707471120.db2.gz IGWNQBYUSNWYMD-NFOMZHRRSA-N 2 1 349.479 1.299 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001033319407 707497879 /nfs/dbraw/zinc/49/78/79/707497879.db2.gz PUCKQPLMWABXHC-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1ncccn1 ZINC000999875209 707521583 /nfs/dbraw/zinc/52/15/83/707521583.db2.gz DTNGGWJGNWYMOX-CVEARBPZSA-N 2 1 345.491 1.993 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3CC)C2)n1 ZINC000999875828 707522333 /nfs/dbraw/zinc/52/23/33/707522333.db2.gz BGSYLUTVGJLNGW-NRXISQOPSA-N 2 1 349.479 1.585 20 0 EDADMP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)n1 ZINC000999875828 707522338 /nfs/dbraw/zinc/52/23/38/707522338.db2.gz BGSYLUTVGJLNGW-NRXISQOPSA-N 2 1 349.479 1.585 20 0 EDADMP C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004882006 707530021 /nfs/dbraw/zinc/53/00/21/707530021.db2.gz ZASBMBKXLUOCSO-RHSMWYFYSA-N 2 1 348.495 1.159 20 0 EDADMP Cc1nonc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004874356 707537495 /nfs/dbraw/zinc/53/74/95/707537495.db2.gz CLYOTEOFAJDSLF-WMLDXEAASA-N 2 1 349.479 1.722 20 0 EDADMP Cc1nonc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004874356 707537500 /nfs/dbraw/zinc/53/75/00/707537500.db2.gz CLYOTEOFAJDSLF-WMLDXEAASA-N 2 1 349.479 1.722 20 0 EDADMP C[C@H](NCc1ncnn1C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004875743 707541692 /nfs/dbraw/zinc/54/16/92/707541692.db2.gz HAPWTFZJASHLLQ-HOCLYGCPSA-N 2 1 348.495 1.159 20 0 EDADMP C[C@H]([NH2+]Cc1ncnn1C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004875743 707541697 /nfs/dbraw/zinc/54/16/97/707541697.db2.gz HAPWTFZJASHLLQ-HOCLYGCPSA-N 2 1 348.495 1.159 20 0 EDADMP Cc1cccnc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001032730885 707730680 /nfs/dbraw/zinc/73/06/80/707730680.db2.gz RPNMEIVBYJKZNJ-ULQDDVLXSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1cccnc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001032730885 707730683 /nfs/dbraw/zinc/73/06/83/707730683.db2.gz RPNMEIVBYJKZNJ-ULQDDVLXSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032730885 707730686 /nfs/dbraw/zinc/73/06/86/707730686.db2.gz RPNMEIVBYJKZNJ-ULQDDVLXSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032730885 707730689 /nfs/dbraw/zinc/73/06/89/707730689.db2.gz RPNMEIVBYJKZNJ-ULQDDVLXSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033415899 707793723 /nfs/dbraw/zinc/79/37/23/707793723.db2.gz MGHZMDMZBZZEAU-SJORKVTESA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cccnc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415899 707793726 /nfs/dbraw/zinc/79/37/26/707793726.db2.gz MGHZMDMZBZZEAU-SJORKVTESA-N 2 1 330.476 1.907 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415899 707793731 /nfs/dbraw/zinc/79/37/31/707793731.db2.gz MGHZMDMZBZZEAU-SJORKVTESA-N 2 1 330.476 1.907 20 0 EDADMP CN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033416377 707795588 /nfs/dbraw/zinc/79/55/88/707795588.db2.gz PEOYVVQNFRLRTG-PBHICJAKSA-N 2 1 329.460 1.114 20 0 EDADMP CN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033416377 707795591 /nfs/dbraw/zinc/79/55/91/707795591.db2.gz PEOYVVQNFRLRTG-PBHICJAKSA-N 2 1 329.460 1.114 20 0 EDADMP CN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033416377 707795596 /nfs/dbraw/zinc/79/55/96/707795596.db2.gz PEOYVVQNFRLRTG-PBHICJAKSA-N 2 1 329.460 1.114 20 0 EDADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001033227260 707842451 /nfs/dbraw/zinc/84/24/51/707842451.db2.gz CDYUOWXBUCBOPD-ROUUACIJSA-N 2 1 349.519 1.964 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033425064 707843327 /nfs/dbraw/zinc/84/33/27/707843327.db2.gz HRCPPVAXLVBECB-QGZVFWFLSA-N 2 1 347.507 1.493 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033425064 707843328 /nfs/dbraw/zinc/84/33/28/707843328.db2.gz HRCPPVAXLVBECB-QGZVFWFLSA-N 2 1 347.507 1.493 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033425064 707843332 /nfs/dbraw/zinc/84/33/32/707843332.db2.gz HRCPPVAXLVBECB-QGZVFWFLSA-N 2 1 347.507 1.493 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033425064 707843335 /nfs/dbraw/zinc/84/33/35/707843335.db2.gz HRCPPVAXLVBECB-QGZVFWFLSA-N 2 1 347.507 1.493 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001033425391 707844673 /nfs/dbraw/zinc/84/46/73/707844673.db2.gz IVALMFXATYHUBJ-SJORKVTESA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CC[C@@H]2CCOC2)C1 ZINC001033425391 707844676 /nfs/dbraw/zinc/84/46/76/707844676.db2.gz IVALMFXATYHUBJ-SJORKVTESA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CC[C@@H]2CCOC2)C1 ZINC001033425391 707844679 /nfs/dbraw/zinc/84/46/79/707844679.db2.gz IVALMFXATYHUBJ-SJORKVTESA-N 2 1 337.508 1.678 20 0 EDADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001033427094 707850091 /nfs/dbraw/zinc/85/00/91/707850091.db2.gz XRHYAHXHOOVMSQ-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CC[C@H]2CCCO2)C1 ZINC001033427094 707850095 /nfs/dbraw/zinc/85/00/95/707850095.db2.gz XRHYAHXHOOVMSQ-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CC[C@H]2CCCO2)C1 ZINC001033427094 707850098 /nfs/dbraw/zinc/85/00/98/707850098.db2.gz XRHYAHXHOOVMSQ-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475761 707965823 /nfs/dbraw/zinc/96/58/23/707965823.db2.gz RFRXUGJJGBNLIY-QGZVFWFLSA-N 2 1 345.491 1.550 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475761 707965825 /nfs/dbraw/zinc/96/58/25/707965825.db2.gz RFRXUGJJGBNLIY-QGZVFWFLSA-N 2 1 345.491 1.550 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(C)(C)C1 ZINC001032784821 707986932 /nfs/dbraw/zinc/98/69/32/707986932.db2.gz KYYCSQCYWGTVAU-SZMVWBNQSA-N 2 1 349.519 1.676 20 0 EDADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(C)(C)C1 ZINC001032784821 707986934 /nfs/dbraw/zinc/98/69/34/707986934.db2.gz KYYCSQCYWGTVAU-SZMVWBNQSA-N 2 1 349.519 1.676 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1)[NH+]1CCCC1 ZINC001032803835 708091449 /nfs/dbraw/zinc/09/14/49/708091449.db2.gz NEEOQVSNIXSVKC-JENIJYKNSA-N 2 1 349.519 1.961 20 0 EDADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1)[NH+]1CCCC1 ZINC001032803835 708091453 /nfs/dbraw/zinc/09/14/53/708091453.db2.gz NEEOQVSNIXSVKC-JENIJYKNSA-N 2 1 349.519 1.961 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCc3cnn(C)c3)C2)CC1 ZINC001033530696 708153032 /nfs/dbraw/zinc/15/30/32/708153032.db2.gz GKGYEWXGXXSMEO-GOSISDBHSA-N 2 1 347.507 1.227 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001033582787 708266407 /nfs/dbraw/zinc/26/64/07/708266407.db2.gz QVCRNRXCUYIHQB-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001033582787 708266408 /nfs/dbraw/zinc/26/64/08/708266408.db2.gz QVCRNRXCUYIHQB-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033582787 708266411 /nfs/dbraw/zinc/26/64/11/708266411.db2.gz QVCRNRXCUYIHQB-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033582787 708266414 /nfs/dbraw/zinc/26/64/14/708266414.db2.gz QVCRNRXCUYIHQB-WBVHZDCISA-N 2 1 346.475 1.465 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033583977 708308869 /nfs/dbraw/zinc/30/88/69/708308869.db2.gz ZKLIIJHSRNAHMW-SJORKVTESA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033583977 708308872 /nfs/dbraw/zinc/30/88/72/708308872.db2.gz ZKLIIJHSRNAHMW-SJORKVTESA-N 2 1 330.476 1.765 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033583977 708308876 /nfs/dbraw/zinc/30/88/76/708308876.db2.gz ZKLIIJHSRNAHMW-SJORKVTESA-N 2 1 330.476 1.765 20 0 EDADMP CCn1ccc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC001001795005 708309586 /nfs/dbraw/zinc/30/95/86/708309586.db2.gz OJJWZOIDDIGPGY-UHFFFAOYSA-N 2 1 347.507 1.573 20 0 EDADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)on1 ZINC001001831834 708335443 /nfs/dbraw/zinc/33/54/43/708335443.db2.gz ARELXFLVOLMCRB-GUYCJALGSA-N 2 1 334.464 1.509 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000921849668 708405031 /nfs/dbraw/zinc/40/50/31/708405031.db2.gz PSZBZHGJJOZKKY-JQHSSLGASA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000921849668 708405035 /nfs/dbraw/zinc/40/50/35/708405035.db2.gz PSZBZHGJJOZKKY-JQHSSLGASA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921849668 708405038 /nfs/dbraw/zinc/40/50/38/708405038.db2.gz PSZBZHGJJOZKKY-JQHSSLGASA-N 2 1 330.476 1.900 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)s1 ZINC001033665081 708447755 /nfs/dbraw/zinc/44/77/55/708447755.db2.gz LFSYYMYHBCIBSA-LSDHHAIUSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)s1 ZINC001033665081 708447757 /nfs/dbraw/zinc/44/77/57/708447757.db2.gz LFSYYMYHBCIBSA-LSDHHAIUSA-N 2 1 336.505 1.744 20 0 EDADMP Cc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)s1 ZINC001033665081 708447759 /nfs/dbraw/zinc/44/77/59/708447759.db2.gz LFSYYMYHBCIBSA-LSDHHAIUSA-N 2 1 336.505 1.744 20 0 EDADMP COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033665609 708449048 /nfs/dbraw/zinc/44/90/48/708449048.db2.gz QBPITENMTQSVCP-GOEBONIOSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033665609 708449049 /nfs/dbraw/zinc/44/90/49/708449049.db2.gz QBPITENMTQSVCP-GOEBONIOSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001033665609 708449051 /nfs/dbraw/zinc/44/90/51/708449051.db2.gz QBPITENMTQSVCP-GOEBONIOSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033665609 708449052 /nfs/dbraw/zinc/44/90/52/708449052.db2.gz QBPITENMTQSVCP-GOEBONIOSA-N 2 1 332.448 1.075 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c(C)n1 ZINC001033666565 708451885 /nfs/dbraw/zinc/45/18/85/708451885.db2.gz YPDCPDZVXPUPSL-MSOLQXFVSA-N 2 1 330.476 1.683 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001033666565 708451888 /nfs/dbraw/zinc/45/18/88/708451888.db2.gz YPDCPDZVXPUPSL-MSOLQXFVSA-N 2 1 330.476 1.683 20 0 EDADMP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001033666565 708451890 /nfs/dbraw/zinc/45/18/90/708451890.db2.gz YPDCPDZVXPUPSL-MSOLQXFVSA-N 2 1 330.476 1.683 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033690075 708520007 /nfs/dbraw/zinc/52/00/07/708520007.db2.gz PDSZQJOWWZCDAI-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033690075 708520010 /nfs/dbraw/zinc/52/00/10/708520010.db2.gz PDSZQJOWWZCDAI-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033690075 708520014 /nfs/dbraw/zinc/52/00/14/708520014.db2.gz PDSZQJOWWZCDAI-MSOLQXFVSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002127613 708643914 /nfs/dbraw/zinc/64/39/14/708643914.db2.gz TYTGZRGSKOZNSE-AWEZNQCLSA-N 2 1 337.493 1.126 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002127613 708643918 /nfs/dbraw/zinc/64/39/18/708643918.db2.gz TYTGZRGSKOZNSE-AWEZNQCLSA-N 2 1 337.493 1.126 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](C)OC)CC1 ZINC001002157680 708672082 /nfs/dbraw/zinc/67/20/82/708672082.db2.gz KXWWRZOSOXNOAN-WBVHZDCISA-N 2 1 325.497 1.724 20 0 EDADMP CCN1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(OC)c3)C2)C1 ZINC001016307037 708975726 /nfs/dbraw/zinc/97/57/26/708975726.db2.gz RXBKWIVIHZUGJY-FUHWJXTLSA-N 2 1 347.459 1.106 20 0 EDADMP CCN1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3cccc(OC)c3)C2)C1 ZINC001016307037 708975728 /nfs/dbraw/zinc/97/57/28/708975728.db2.gz RXBKWIVIHZUGJY-FUHWJXTLSA-N 2 1 347.459 1.106 20 0 EDADMP Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)c(C)n1 ZINC001002480046 709030170 /nfs/dbraw/zinc/03/01/70/709030170.db2.gz LJQMEBARZAUAHC-GOSISDBHSA-N 2 1 330.476 1.873 20 0 EDADMP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001043629019 709134834 /nfs/dbraw/zinc/13/48/34/709134834.db2.gz NRNZUMNXSIQFQF-KRWDZBQOSA-N 2 1 325.497 1.674 20 0 EDADMP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001043629019 709134836 /nfs/dbraw/zinc/13/48/36/709134836.db2.gz NRNZUMNXSIQFQF-KRWDZBQOSA-N 2 1 325.497 1.674 20 0 EDADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001033989142 709195334 /nfs/dbraw/zinc/19/53/34/709195334.db2.gz LKFJFHWEUNLJBO-RHSMWYFYSA-N 2 1 346.475 1.158 20 0 EDADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001033989142 709195336 /nfs/dbraw/zinc/19/53/36/709195336.db2.gz LKFJFHWEUNLJBO-RHSMWYFYSA-N 2 1 346.475 1.158 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2conc2C)C1 ZINC001034013250 709227303 /nfs/dbraw/zinc/22/73/03/709227303.db2.gz MNJUXYKTNUWKMW-MRXNPFEDSA-N 2 1 332.448 1.502 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2conc2C)C1 ZINC001034013250 709227308 /nfs/dbraw/zinc/22/73/08/709227308.db2.gz MNJUXYKTNUWKMW-MRXNPFEDSA-N 2 1 332.448 1.502 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC001034017383 709234701 /nfs/dbraw/zinc/23/47/01/709234701.db2.gz SBNLTOMYQALZAF-HZPDHXFCSA-N 2 1 343.475 1.556 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+]([C@H](C)c2cnccn2)C1 ZINC001034017383 709234703 /nfs/dbraw/zinc/23/47/03/709234703.db2.gz SBNLTOMYQALZAF-HZPDHXFCSA-N 2 1 343.475 1.556 20 0 EDADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034043426 709294163 /nfs/dbraw/zinc/29/41/63/709294163.db2.gz USUDGVFGFWSCCH-HZPDHXFCSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034043426 709294164 /nfs/dbraw/zinc/29/41/64/709294164.db2.gz USUDGVFGFWSCCH-HZPDHXFCSA-N 2 1 348.491 1.920 20 0 EDADMP CCc1noc(C)c1C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034043426 709294165 /nfs/dbraw/zinc/29/41/65/709294165.db2.gz USUDGVFGFWSCCH-HZPDHXFCSA-N 2 1 348.491 1.920 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001034046157 709298761 /nfs/dbraw/zinc/29/87/61/709298761.db2.gz UYQTXNAEEKVMMP-ROUUACIJSA-N 2 1 345.487 1.940 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCOc2ccccc2)C1 ZINC001034046157 709298764 /nfs/dbraw/zinc/29/87/64/709298764.db2.gz UYQTXNAEEKVMMP-ROUUACIJSA-N 2 1 345.487 1.940 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCOc2ccccc2)C1 ZINC001034046157 709298767 /nfs/dbraw/zinc/29/87/67/709298767.db2.gz UYQTXNAEEKVMMP-ROUUACIJSA-N 2 1 345.487 1.940 20 0 EDADMP Cc1cncc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001034138251 709388385 /nfs/dbraw/zinc/38/83/85/709388385.db2.gz OOXFIWLSUKZUCM-ROUUACIJSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1cncc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001034138251 709388388 /nfs/dbraw/zinc/38/83/88/709388388.db2.gz OOXFIWLSUKZUCM-ROUUACIJSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1cncc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001034138251 709388389 /nfs/dbraw/zinc/38/83/89/709388389.db2.gz OOXFIWLSUKZUCM-ROUUACIJSA-N 2 1 330.476 1.955 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCOCC2)C1 ZINC001034130558 709400021 /nfs/dbraw/zinc/40/00/21/709400021.db2.gz IOYPKACSALIMJE-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCOCC2)C1 ZINC001034130558 709400024 /nfs/dbraw/zinc/40/00/24/709400024.db2.gz IOYPKACSALIMJE-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCOCC2)C1 ZINC001034130558 709400026 /nfs/dbraw/zinc/40/00/26/709400026.db2.gz IOYPKACSALIMJE-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP Cc1cccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034135602 709406533 /nfs/dbraw/zinc/40/65/33/709406533.db2.gz DLTMIYXGAGELEF-AEFFLSMTSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1cccnc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034135602 709406534 /nfs/dbraw/zinc/40/65/34/709406534.db2.gz DLTMIYXGAGELEF-AEFFLSMTSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1cccnc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034135602 709406535 /nfs/dbraw/zinc/40/65/35/709406535.db2.gz DLTMIYXGAGELEF-AEFFLSMTSA-N 2 1 330.476 1.955 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)o1 ZINC001002812991 709420755 /nfs/dbraw/zinc/42/07/55/709420755.db2.gz VOAZNMHTMJFSOQ-RDJZCZTQSA-N 2 1 346.475 1.938 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)o1 ZINC001002812991 709420758 /nfs/dbraw/zinc/42/07/58/709420758.db2.gz VOAZNMHTMJFSOQ-RDJZCZTQSA-N 2 1 346.475 1.938 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3nccnc3C)CC2)CC[N@@H+]1C ZINC001002859241 709467063 /nfs/dbraw/zinc/46/70/63/709467063.db2.gz MSCFEHYWKHBZED-FUHWJXTLSA-N 2 1 345.491 1.596 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3nccnc3C)CC2)CC[N@H+]1C ZINC001002859241 709467064 /nfs/dbraw/zinc/46/70/64/709467064.db2.gz MSCFEHYWKHBZED-FUHWJXTLSA-N 2 1 345.491 1.596 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cnnn3CC)CC2)CC[N@@H+]1C ZINC001002859716 709468171 /nfs/dbraw/zinc/46/81/71/709468171.db2.gz RTHJKHGJKWSOPR-DLBZAZTESA-N 2 1 348.495 1.109 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cnnn3CC)CC2)CC[N@H+]1C ZINC001002859716 709468172 /nfs/dbraw/zinc/46/81/72/709468172.db2.gz RTHJKHGJKWSOPR-DLBZAZTESA-N 2 1 348.495 1.109 20 0 EDADMP CC(C)(C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1)[NH+]1CCCCC1 ZINC001034213373 709564852 /nfs/dbraw/zinc/56/48/52/709564852.db2.gz XECYCLGYPIFBNH-INIZCTEOSA-N 2 1 325.497 1.604 20 0 EDADMP CC[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310310 709753702 /nfs/dbraw/zinc/75/37/02/709753702.db2.gz WGLHSWMIVXIODS-GOEBONIOSA-N 2 1 343.431 1.183 20 0 EDADMP CC[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310310 709753703 /nfs/dbraw/zinc/75/37/03/709753703.db2.gz WGLHSWMIVXIODS-GOEBONIOSA-N 2 1 343.431 1.183 20 0 EDADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319128 709768958 /nfs/dbraw/zinc/76/89/58/709768958.db2.gz GRHKRHUCDAUGOO-SFANZJOMSA-N 2 1 349.519 1.866 20 0 EDADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034319128 709768960 /nfs/dbraw/zinc/76/89/60/709768960.db2.gz GRHKRHUCDAUGOO-SFANZJOMSA-N 2 1 349.519 1.866 20 0 EDADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034319128 709768963 /nfs/dbraw/zinc/76/89/63/709768963.db2.gz GRHKRHUCDAUGOO-SFANZJOMSA-N 2 1 349.519 1.866 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccccn3)C2)CC1 ZINC001034385805 709914567 /nfs/dbraw/zinc/91/45/67/709914567.db2.gz OKIWKQYUUWYOAO-GOSISDBHSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CCc3cnn(C)c3)C2)C1 ZINC001034394157 709930112 /nfs/dbraw/zinc/93/01/12/709930112.db2.gz JRIPZQIIOPYQFB-WMZOPIPTSA-N 2 1 347.507 1.275 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCc3cnn(C)c3)C2)C1 ZINC001034394157 709930116 /nfs/dbraw/zinc/93/01/16/709930116.db2.gz JRIPZQIIOPYQFB-WMZOPIPTSA-N 2 1 347.507 1.275 20 0 EDADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCc3cnn(C)c3)C2)C1 ZINC001034394157 709930119 /nfs/dbraw/zinc/93/01/19/709930119.db2.gz JRIPZQIIOPYQFB-WMZOPIPTSA-N 2 1 347.507 1.275 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001003140400 710033303 /nfs/dbraw/zinc/03/33/03/710033303.db2.gz RKYCSWJFUFHUDD-CRAIPNDOSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1cccnc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001003140400 710033307 /nfs/dbraw/zinc/03/33/07/710033307.db2.gz RKYCSWJFUFHUDD-CRAIPNDOSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001003160587 710069997 /nfs/dbraw/zinc/06/99/97/710069997.db2.gz RJFTWFXRQZBKKP-INIZCTEOSA-N 2 1 334.464 1.856 20 0 EDADMP COc1ncccc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034525667 710176313 /nfs/dbraw/zinc/17/63/13/710176313.db2.gz OJKSQMYBXPUMRJ-RDJZCZTQSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ncccc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034525667 710176316 /nfs/dbraw/zinc/17/63/16/710176316.db2.gz OJKSQMYBXPUMRJ-RDJZCZTQSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034525667 710176318 /nfs/dbraw/zinc/17/63/18/710176318.db2.gz OJKSQMYBXPUMRJ-RDJZCZTQSA-N 2 1 346.475 1.513 20 0 EDADMP COc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034525667 710176321 /nfs/dbraw/zinc/17/63/21/710176321.db2.gz OJKSQMYBXPUMRJ-RDJZCZTQSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1cccnc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034525874 710176791 /nfs/dbraw/zinc/17/67/91/710176791.db2.gz QRJGWUAJBLNICM-SJORKVTESA-N 2 1 330.476 1.812 20 0 EDADMP Cc1cccnc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525874 710176793 /nfs/dbraw/zinc/17/67/93/710176793.db2.gz QRJGWUAJBLNICM-SJORKVTESA-N 2 1 330.476 1.812 20 0 EDADMP Cc1cccnc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525874 710176794 /nfs/dbraw/zinc/17/67/94/710176794.db2.gz QRJGWUAJBLNICM-SJORKVTESA-N 2 1 330.476 1.812 20 0 EDADMP C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034535184 710206863 /nfs/dbraw/zinc/20/68/63/710206863.db2.gz CJHNXOMGYJLWMJ-QAPCUYQASA-N 2 1 333.476 1.713 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001034608795 710282192 /nfs/dbraw/zinc/28/21/92/710282192.db2.gz GWXHYROPTFELBL-KZNAEPCWSA-N 2 1 347.507 1.611 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC001034611580 710286052 /nfs/dbraw/zinc/28/60/52/710286052.db2.gz LTSZAUSANBSSFT-KKUMJFAQSA-N 2 1 348.495 1.539 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034642677 710318482 /nfs/dbraw/zinc/31/84/82/710318482.db2.gz IPIZIOSIYSAFJS-DZKIICNBSA-N 2 1 335.452 1.459 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cncn3C)CC2)CC[N@H+]1C ZINC001034647284 710323622 /nfs/dbraw/zinc/32/36/22/710323622.db2.gz CPZNGUWBAWPUPZ-KCYZZUKISA-N 2 1 333.480 1.277 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)nn1C ZINC001003491476 710374074 /nfs/dbraw/zinc/37/40/74/710374074.db2.gz FEWHFPZRVIFZKN-HOCLYGCPSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)nn1C ZINC001003491476 710374077 /nfs/dbraw/zinc/37/40/77/710374077.db2.gz FEWHFPZRVIFZKN-HOCLYGCPSA-N 2 1 347.507 1.539 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC001003626291 710455468 /nfs/dbraw/zinc/45/54/68/710455468.db2.gz APXGUAVKLXGRHX-MRXNPFEDSA-N 2 1 347.507 1.565 20 0 EDADMP COc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)c1 ZINC001003634443 710462250 /nfs/dbraw/zinc/46/22/50/710462250.db2.gz KLNCJMOPZDVPSA-BEFAXECRSA-N 2 1 345.487 1.974 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034658994 710587909 /nfs/dbraw/zinc/58/79/09/710587909.db2.gz MXADJPNCUCCCII-BZSNNMDCSA-N 2 1 347.507 1.775 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC001034673640 710611902 /nfs/dbraw/zinc/61/19/02/710611902.db2.gz DJYQTCDTACWRHF-TVFCKZIOSA-N 2 1 337.508 1.914 20 0 EDADMP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034674931 710626559 /nfs/dbraw/zinc/62/65/59/710626559.db2.gz VBGPJGDLGYKLAM-BFYDXBDKSA-N 2 1 333.480 1.421 20 0 EDADMP C[C@H](F)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005585917 710632791 /nfs/dbraw/zinc/63/27/91/710632791.db2.gz SKJJJIJGKXFLTF-SQWLQELKSA-N 2 1 329.460 1.376 20 0 EDADMP C[C@H](F)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005585917 710632795 /nfs/dbraw/zinc/63/27/95/710632795.db2.gz SKJJJIJGKXFLTF-SQWLQELKSA-N 2 1 329.460 1.376 20 0 EDADMP COCC[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001003853546 710715875 /nfs/dbraw/zinc/71/58/75/710715875.db2.gz MOMCHKBJGBGHEG-UHFFFAOYSA-N 2 1 329.404 1.108 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](C)O)CC1)CC2 ZINC001034719333 710883974 /nfs/dbraw/zinc/88/39/74/710883974.db2.gz SOUBQXVFEKGPJA-SLBVQIDZSA-N 2 1 334.464 1.152 20 0 EDADMP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)[nH]1 ZINC001034735343 710920461 /nfs/dbraw/zinc/92/04/61/710920461.db2.gz FSARVDXXBOADMS-OCVGTWLNSA-N 2 1 348.495 1.675 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001034736562 710924278 /nfs/dbraw/zinc/92/42/78/710924278.db2.gz WJGUVIMXVYDPMY-QEJZJMRPSA-N 2 1 335.452 1.379 20 0 EDADMP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC001034736562 710924282 /nfs/dbraw/zinc/92/42/82/710924282.db2.gz WJGUVIMXVYDPMY-QEJZJMRPSA-N 2 1 335.452 1.379 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001032971926 711035388 /nfs/dbraw/zinc/03/53/88/711035388.db2.gz BDHHPQBYTJRXLA-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001032971926 711035391 /nfs/dbraw/zinc/03/53/91/711035391.db2.gz BDHHPQBYTJRXLA-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001032971926 711035392 /nfs/dbraw/zinc/03/53/92/711035392.db2.gz BDHHPQBYTJRXLA-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001032971926 711035394 /nfs/dbraw/zinc/03/53/94/711035394.db2.gz BDHHPQBYTJRXLA-ZWKOTPCHSA-N 2 1 337.508 1.820 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034790966 711103907 /nfs/dbraw/zinc/10/39/07/711103907.db2.gz CAEHCTADMRRFRN-JYJNAYRXSA-N 2 1 348.495 1.328 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2cnccn2)CC1 ZINC001034794486 711110612 /nfs/dbraw/zinc/11/06/12/711110612.db2.gz KKZPQHMEQYBSIV-BPUTZDHNSA-N 2 1 342.447 1.760 20 0 EDADMP Cc1cccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034791961 711117662 /nfs/dbraw/zinc/11/76/62/711117662.db2.gz ZXWQRTRHFNFLTJ-ULQDDVLXSA-N 2 1 330.476 1.859 20 0 EDADMP CC(C)c1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC001034792882 711121035 /nfs/dbraw/zinc/12/10/35/711121035.db2.gz NTZHEWCOEQGTOT-RBSFLKMASA-N 2 1 349.479 1.662 20 0 EDADMP CC(C)c1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001034792882 711121036 /nfs/dbraw/zinc/12/10/36/711121036.db2.gz NTZHEWCOEQGTOT-RBSFLKMASA-N 2 1 349.479 1.662 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1coc(C2CC2)n1 ZINC001034884491 711288070 /nfs/dbraw/zinc/28/80/70/711288070.db2.gz HRTSGSSIRNCTQJ-HZPDHXFCSA-N 2 1 332.448 1.727 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1coc(C2CC2)n1 ZINC001034884491 711288074 /nfs/dbraw/zinc/28/80/74/711288074.db2.gz HRTSGSSIRNCTQJ-HZPDHXFCSA-N 2 1 332.448 1.727 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(CO)ccc1F ZINC001034885547 711290455 /nfs/dbraw/zinc/29/04/55/711290455.db2.gz VYFPFNBGZZGZFD-AEFFLSMTSA-N 2 1 349.450 1.493 20 0 EDADMP Cc1nocc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001034934493 711360515 /nfs/dbraw/zinc/36/05/15/711360515.db2.gz OBPLKLVUMLYFSD-IAGOWNOFSA-N 2 1 334.464 1.936 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccn(C)n1 ZINC001034936293 711365152 /nfs/dbraw/zinc/36/51/52/711365152.db2.gz NJLCCPFWXPXDSJ-SJORKVTESA-N 2 1 333.480 1.374 20 0 EDADMP COc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1O ZINC000922388053 711429640 /nfs/dbraw/zinc/42/96/40/711429640.db2.gz NTHQVAGPIRKPQF-YCEFEEMOSA-N 2 1 334.460 1.970 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)C2 ZINC000922388811 711432656 /nfs/dbraw/zinc/43/26/56/711432656.db2.gz RLJDQIHAJVBMSF-YWTNHNAXSA-N 2 1 331.460 1.355 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nncs2)CC[N@@H+]1C ZINC001034940633 711444276 /nfs/dbraw/zinc/44/42/76/711444276.db2.gz ADZMZOZUEOBXIX-HZSPNIEDSA-N 2 1 337.493 1.349 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nncs2)CC[N@H+]1C ZINC001034940633 711444280 /nfs/dbraw/zinc/44/42/80/711444280.db2.gz ADZMZOZUEOBXIX-HZSPNIEDSA-N 2 1 337.493 1.349 20 0 EDADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc3cnccn13)C2 ZINC000922385808 711445419 /nfs/dbraw/zinc/44/54/19/711445419.db2.gz AWHYCCRSLAGMLA-JOCBIADPSA-N 2 1 329.448 1.299 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC001004149116 711562883 /nfs/dbraw/zinc/56/28/83/711562883.db2.gz FNHITHUMHKLNTP-ZIAGYGMSSA-N 2 1 329.435 1.954 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000922527548 711656601 /nfs/dbraw/zinc/65/66/01/711656601.db2.gz FEYMRAKGTHULAG-GDBMZVCRSA-N 2 1 331.464 1.882 20 0 EDADMP Cc1cc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000922527548 711656603 /nfs/dbraw/zinc/65/66/03/711656603.db2.gz FEYMRAKGTHULAG-GDBMZVCRSA-N 2 1 331.464 1.882 20 0 EDADMP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033139664 711936029 /nfs/dbraw/zinc/93/60/29/711936029.db2.gz HQYOGNIWPGYCSX-SJORKVTESA-N 2 1 341.471 1.522 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)[C@@H]1CC[NH+](CCCF)C1 ZINC001033139664 711936030 /nfs/dbraw/zinc/93/60/30/711936030.db2.gz HQYOGNIWPGYCSX-SJORKVTESA-N 2 1 341.471 1.522 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)[C@@H]1CC[NH+](CCCF)C1 ZINC001033139664 711936032 /nfs/dbraw/zinc/93/60/32/711936032.db2.gz HQYOGNIWPGYCSX-SJORKVTESA-N 2 1 341.471 1.522 20 0 EDADMP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004617102 712077099 /nfs/dbraw/zinc/07/70/99/712077099.db2.gz OKIAUTOAICJUAP-QGZVFWFLSA-N 2 1 334.464 1.541 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004617102 712077100 /nfs/dbraw/zinc/07/71/00/712077100.db2.gz OKIAUTOAICJUAP-QGZVFWFLSA-N 2 1 334.464 1.541 20 0 EDADMP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC[C@@H]2C1 ZINC000946645305 712134537 /nfs/dbraw/zinc/13/45/37/712134537.db2.gz QUGZGZAQFHHACU-ZACQAIPSSA-N 2 1 346.475 1.262 20 0 EDADMP CN(CCC[NH+](C)C)C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000557664788 306232703 /nfs/dbraw/zinc/23/27/03/306232703.db2.gz NWRIMJMNVXSHSS-GOSISDBHSA-N 2 1 332.492 1.385 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000458505467 282189666 /nfs/dbraw/zinc/18/96/66/282189666.db2.gz NDKOFRDVAUGTGH-OAGGEKHMSA-N 2 1 326.485 1.005 20 0 EDADMP CCc1nc(C)c(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000559238359 306251993 /nfs/dbraw/zinc/25/19/93/306251993.db2.gz MAUJJUHZIUCPJP-UHFFFAOYSA-N 2 1 348.491 1.922 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333908659 290725980 /nfs/dbraw/zinc/72/59/80/290725980.db2.gz KPWFHJAMYJRFKR-MRXNPFEDSA-N 2 1 338.496 1.415 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000171764357 530067919 /nfs/dbraw/zinc/06/79/19/530067919.db2.gz YSTNEZBADCFHMF-UHFFFAOYSA-N 2 1 331.460 1.654 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000101974572 219177805 /nfs/dbraw/zinc/17/78/05/219177805.db2.gz RAHGSRUDZBOIRA-UHFFFAOYSA-N 2 1 340.512 1.661 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000560541075 306273920 /nfs/dbraw/zinc/27/39/20/306273920.db2.gz NLHVFZOUYFKYTI-CQSZACIVSA-N 2 1 328.526 1.549 20 0 EDADMP CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000560549288 306274060 /nfs/dbraw/zinc/27/40/60/306274060.db2.gz XJMZXGTYHJONNQ-BBWFWOEESA-N 2 1 343.537 1.511 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@H](C)C1 ZINC000332832700 539608714 /nfs/dbraw/zinc/60/87/14/539608714.db2.gz AZSAVZAWXSOOAP-HLLBOEOZSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@H](C)C1 ZINC000332832700 539608720 /nfs/dbraw/zinc/60/87/20/539608720.db2.gz AZSAVZAWXSOOAP-HLLBOEOZSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@H](C)C1 ZINC000332832700 539608724 /nfs/dbraw/zinc/60/87/24/539608724.db2.gz AZSAVZAWXSOOAP-HLLBOEOZSA-N 2 1 338.496 1.100 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000339275384 539705455 /nfs/dbraw/zinc/70/54/55/539705455.db2.gz RDEKXTWXPCRSAM-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP C[C@@]1(O)CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000179723016 233368198 /nfs/dbraw/zinc/36/81/98/233368198.db2.gz VQGUZLMWUDHRQS-HXUWFJFHSA-N 2 1 345.487 1.745 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000562982753 306314751 /nfs/dbraw/zinc/31/47/51/306314751.db2.gz JQUCFZOKLXTICZ-HDEZJCGLSA-N 2 1 348.495 1.119 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000563083319 306318017 /nfs/dbraw/zinc/31/80/17/306318017.db2.gz HMACFPPOEUJUMO-RVKKMQEKSA-N 2 1 331.460 1.533 20 0 EDADMP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000563083319 306318018 /nfs/dbraw/zinc/31/80/18/306318018.db2.gz HMACFPPOEUJUMO-RVKKMQEKSA-N 2 1 331.460 1.533 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424148919 283064921 /nfs/dbraw/zinc/06/49/21/283064921.db2.gz VFLXZUOUDCEXMB-CABCVRRESA-N 2 1 333.480 1.681 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1)N1CCOCC1 ZINC000563271310 306325795 /nfs/dbraw/zinc/32/57/95/306325795.db2.gz PQOCHOXGCUOEOE-GOSISDBHSA-N 2 1 343.471 1.403 20 0 EDADMP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000563304407 306326659 /nfs/dbraw/zinc/32/66/59/306326659.db2.gz ZLUDVAWUUXKOJE-AWEZNQCLSA-N 2 1 342.447 1.699 20 0 EDADMP CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000563377470 306330701 /nfs/dbraw/zinc/33/07/01/306330701.db2.gz GKPGOPGVYBSXAQ-SFHVURJKSA-N 2 1 333.476 1.319 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000078987281 138259775 /nfs/dbraw/zinc/25/97/75/138259775.db2.gz NMQMILBOSUXCPI-KRWDZBQOSA-N 2 1 340.512 1.518 20 0 EDADMP C[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)N1CC[NH+](C)CC1 ZINC000091824394 138285140 /nfs/dbraw/zinc/28/51/40/138285140.db2.gz LVEMXDFUXJPVNZ-QGZVFWFLSA-N 2 1 344.503 1.899 20 0 EDADMP CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000563585338 306340036 /nfs/dbraw/zinc/34/00/36/306340036.db2.gz RLRYMWUROIJMEV-CABCVRRESA-N 2 1 326.485 1.256 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](C(=O)NC)C2)CC1 ZINC000093361107 138293364 /nfs/dbraw/zinc/29/33/64/138293364.db2.gz YUTWTBACTZPKBY-GOSISDBHSA-N 2 1 344.503 1.787 20 0 EDADMP COc1cc2[nH+]ccc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2cc1OC ZINC000413466781 304062203 /nfs/dbraw/zinc/06/22/03/304062203.db2.gz AOXAYQBKJBNCCN-QAPCUYQASA-N 2 1 329.400 1.771 20 0 EDADMP COC(=O)[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC[N@H+](C)C1 ZINC000413926566 304090957 /nfs/dbraw/zinc/09/09/57/304090957.db2.gz WMDKPNAUVIQBEL-HZPDHXFCSA-N 2 1 339.480 1.060 20 0 EDADMP COC(=O)[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC[N@@H+](C)C1 ZINC000413926566 304090958 /nfs/dbraw/zinc/09/09/58/304090958.db2.gz WMDKPNAUVIQBEL-HZPDHXFCSA-N 2 1 339.480 1.060 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000414002469 304093463 /nfs/dbraw/zinc/09/34/63/304093463.db2.gz AQDHYFBXYTWLKB-KRWDZBQOSA-N 2 1 330.476 1.409 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CC[C@H](C)O3)CC2)CC1 ZINC000565210333 306378514 /nfs/dbraw/zinc/37/85/14/306378514.db2.gz WJCVJXONXBUGJZ-YJBOKZPZSA-N 2 1 337.508 1.866 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ncon3)CC2)CC1 ZINC000565493371 306385351 /nfs/dbraw/zinc/38/53/51/306385351.db2.gz QGPCDCYSWUXUOC-CYBMUJFWSA-N 2 1 335.452 1.443 20 0 EDADMP CCc1oc(C[NH2+]CCCCN2CC[NH+](C)CC2)cc1C(=O)OC ZINC000565787320 306392081 /nfs/dbraw/zinc/39/20/81/306392081.db2.gz DIQCDTOAZQRFMV-UHFFFAOYSA-N 2 1 337.464 1.746 20 0 EDADMP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000566012809 306396495 /nfs/dbraw/zinc/39/64/95/306396495.db2.gz TUCFUJUCNLCDIX-HNNXBMFYSA-N 2 1 338.446 1.549 20 0 EDADMP CC(C)C[C@@H](CNC(=O)C[C@H]([NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000566066035 306397591 /nfs/dbraw/zinc/39/75/91/306397591.db2.gz XIKRPKYKQAFQBQ-MOPGFXCFSA-N 2 1 347.503 1.810 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000414703069 304129692 /nfs/dbraw/zinc/12/96/92/304129692.db2.gz LNHVRMQEACWLQY-OAHLLOKOSA-N 2 1 346.475 1.583 20 0 EDADMP C[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000414701680 304130032 /nfs/dbraw/zinc/13/00/32/304130032.db2.gz KNZWXVITVDMKRL-KFWWJZLASA-N 2 1 346.475 1.881 20 0 EDADMP CC[NH+]1CCN(c2ccccc2NC(=O)NCC(F)(F)C[NH3+])CC1 ZINC000414727292 304133225 /nfs/dbraw/zinc/13/32/25/304133225.db2.gz AHZDWVFGPICMHL-UHFFFAOYSA-N 2 1 341.406 1.544 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000414740189 304135414 /nfs/dbraw/zinc/13/54/14/304135414.db2.gz JOCXUBHCPXUYIV-GJZGRUSLSA-N 2 1 346.475 1.581 20 0 EDADMP COc1ccc2c(c1)OCC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000414759187 304137909 /nfs/dbraw/zinc/13/79/09/304137909.db2.gz DIAPBERQBMVORC-CQSZACIVSA-N 2 1 333.432 1.087 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)C1 ZINC000414762108 304138316 /nfs/dbraw/zinc/13/83/16/304138316.db2.gz VKNXLXDUTNGNLU-ICSRJNTNSA-N 2 1 345.487 1.253 20 0 EDADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414996400 304149342 /nfs/dbraw/zinc/14/93/42/304149342.db2.gz GQBIYJSZHLKZNK-UWVGGRQHSA-N 2 1 337.212 1.869 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000415051440 304154646 /nfs/dbraw/zinc/15/46/46/304154646.db2.gz ZNCFLSLAJARIRE-PBHICJAKSA-N 2 1 344.459 1.287 20 0 EDADMP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)C[C@H](O)C[NH3+])c2)cc1 ZINC000415066462 304156356 /nfs/dbraw/zinc/15/63/56/304156356.db2.gz IRZFRWDWIDOQDH-QGZVFWFLSA-N 2 1 343.427 1.699 20 0 EDADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)C[C@H](O)C[NH3+])c2)cc1 ZINC000415066462 304156358 /nfs/dbraw/zinc/15/63/58/304156358.db2.gz IRZFRWDWIDOQDH-QGZVFWFLSA-N 2 1 343.427 1.699 20 0 EDADMP Cc1ccsc1C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415132108 304162571 /nfs/dbraw/zinc/16/25/71/304162571.db2.gz AEUNWTSZCYZOSW-GJZGRUSLSA-N 2 1 334.489 1.777 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000415139045 304163518 /nfs/dbraw/zinc/16/35/18/304163518.db2.gz HSKAIYYJPPGRHE-CJNGLKHVSA-N 2 1 330.432 1.040 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236754662 139030409 /nfs/dbraw/zinc/03/04/09/139030409.db2.gz KOYHNBMYOMIPFQ-INIZCTEOSA-N 2 1 348.495 1.587 20 0 EDADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000415978818 284328308 /nfs/dbraw/zinc/32/83/08/284328308.db2.gz VPSIYLBQKWFCPG-INIZCTEOSA-N 2 1 348.447 1.137 20 0 EDADMP COCC[NH2+]CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000237202283 139043923 /nfs/dbraw/zinc/04/39/23/139043923.db2.gz LTKFIWSSMAWRMS-MRXNPFEDSA-N 2 1 333.476 1.771 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])cc2)CC1 ZINC000237214395 139044685 /nfs/dbraw/zinc/04/46/85/139044685.db2.gz ZMLRQWRYQJDBDQ-MOPGFXCFSA-N 2 1 344.503 1.681 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NC[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000237229450 139045094 /nfs/dbraw/zinc/04/50/94/139045094.db2.gz YGYXECYQBXQMHR-SJLPKXTDSA-N 2 1 330.476 1.091 20 0 EDADMP C[C@@H]1CN(C(C)(C)CNC(=O)c2csc(C[NH3+])n2)C[C@@H](C)O1 ZINC000237495176 139052496 /nfs/dbraw/zinc/05/24/96/139052496.db2.gz KLNLPNIPSSQLAY-GHMZBOCLSA-N 2 1 326.466 1.219 20 0 EDADMP Cc1nn(C)c(C)c1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241692 220121699 /nfs/dbraw/zinc/12/16/99/220121699.db2.gz LSJRRGRSKOCGGF-UHFFFAOYSA-N 2 1 347.507 1.413 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237515899 139053055 /nfs/dbraw/zinc/05/30/55/139053055.db2.gz OHVNAAGUMSWAKD-LPHOPBHVSA-N 2 1 345.491 1.098 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH2+]1 ZINC000237587013 139054778 /nfs/dbraw/zinc/05/47/78/139054778.db2.gz RMBNJHBRDJFGSA-RYRKJORJSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH2+]1 ZINC000237587013 139054779 /nfs/dbraw/zinc/05/47/79/139054779.db2.gz RMBNJHBRDJFGSA-RYRKJORJSA-N 2 1 331.460 1.486 20 0 EDADMP C[C@H](CC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000237601014 139055240 /nfs/dbraw/zinc/05/52/40/139055240.db2.gz LDMRLTPKUSKLKU-CVEARBPZSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000237674174 139057723 /nfs/dbraw/zinc/05/77/23/139057723.db2.gz XTSVYDSCNJTZNP-GDBMZVCRSA-N 2 1 333.480 1.082 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCCC[NH2+]3)CC2)cs1 ZINC000237722515 139058751 /nfs/dbraw/zinc/05/87/51/139058751.db2.gz LILLFXFXQITVAO-MRXNPFEDSA-N 2 1 336.505 1.922 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)oc1C ZINC000111659238 220177302 /nfs/dbraw/zinc/17/73/02/220177302.db2.gz HWWPXBITFUAKFJ-MRXNPFEDSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)oc1C ZINC000111659238 220177305 /nfs/dbraw/zinc/17/73/05/220177305.db2.gz HWWPXBITFUAKFJ-MRXNPFEDSA-N 2 1 334.464 1.714 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237921436 139063877 /nfs/dbraw/zinc/06/38/77/139063877.db2.gz ICDRVAGZSTUHQY-KSZLIROESA-N 2 1 331.460 1.521 20 0 EDADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237921436 139063878 /nfs/dbraw/zinc/06/38/78/139063878.db2.gz ICDRVAGZSTUHQY-KSZLIROESA-N 2 1 331.460 1.521 20 0 EDADMP CC(C)[C@H](C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000567811616 306463819 /nfs/dbraw/zinc/46/38/19/306463819.db2.gz YQPFWBLTWJNZKY-AOIWGVFYSA-N 2 1 346.519 1.933 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])[C@H](C)CC)CC2)cn1 ZINC000245955509 139091161 /nfs/dbraw/zinc/09/11/61/139091161.db2.gz LTUTUBYLFTZFQO-WBVHZDCISA-N 2 1 335.496 1.701 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])[C@H](C)CC)CC2)cn1 ZINC000245955509 139091162 /nfs/dbraw/zinc/09/11/62/139091162.db2.gz LTUTUBYLFTZFQO-WBVHZDCISA-N 2 1 335.496 1.701 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)C1 ZINC000415305071 304189794 /nfs/dbraw/zinc/18/97/94/304189794.db2.gz UXBDJRDMKJRFFL-MRXNPFEDSA-N 2 1 344.459 1.082 20 0 EDADMP CC[NH+](CC)CCN(CCOC)C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000343825528 284618090 /nfs/dbraw/zinc/61/80/90/284618090.db2.gz HPZPCTKOHSHEDU-OAHLLOKOSA-N 2 1 331.526 1.241 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000247681578 139153948 /nfs/dbraw/zinc/15/39/48/139153948.db2.gz ZRLFNXXRLPMVJP-JFRXWTBNSA-N 2 1 345.487 1.590 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000247681578 139153949 /nfs/dbraw/zinc/15/39/49/139153949.db2.gz ZRLFNXXRLPMVJP-JFRXWTBNSA-N 2 1 345.487 1.590 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000247681578 139153950 /nfs/dbraw/zinc/15/39/50/139153950.db2.gz ZRLFNXXRLPMVJP-JFRXWTBNSA-N 2 1 345.487 1.590 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000247681578 139153951 /nfs/dbraw/zinc/15/39/51/139153951.db2.gz ZRLFNXXRLPMVJP-JFRXWTBNSA-N 2 1 345.487 1.590 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH3+])CCCCCC1)C[NH+]1CCOCC1 ZINC000568737918 306488130 /nfs/dbraw/zinc/48/81/30/306488130.db2.gz FWSUXYNBRQCGAP-HNNXBMFYSA-N 2 1 326.485 1.306 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C[C@H]12 ZINC000248645013 139169781 /nfs/dbraw/zinc/16/97/81/139169781.db2.gz SDODFKUBLLKYCB-XDNAFOTISA-N 2 1 329.444 1.083 20 0 EDADMP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C[C@H]12 ZINC000248645013 139169782 /nfs/dbraw/zinc/16/97/82/139169782.db2.gz SDODFKUBLLKYCB-XDNAFOTISA-N 2 1 329.444 1.083 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000248797898 139175607 /nfs/dbraw/zinc/17/56/07/139175607.db2.gz ZJNYKIBIMDCVTM-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000248797898 139175608 /nfs/dbraw/zinc/17/56/08/139175608.db2.gz ZJNYKIBIMDCVTM-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000248797898 139175609 /nfs/dbraw/zinc/17/56/09/139175609.db2.gz ZJNYKIBIMDCVTM-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000248797898 139175610 /nfs/dbraw/zinc/17/56/10/139175610.db2.gz ZJNYKIBIMDCVTM-MSOLQXFVSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000093821419 218253265 /nfs/dbraw/zinc/25/32/65/218253265.db2.gz RMIWEZCJCAQBJU-GOSISDBHSA-N 2 1 326.444 1.906 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000093821419 218253266 /nfs/dbraw/zinc/25/32/66/218253266.db2.gz RMIWEZCJCAQBJU-GOSISDBHSA-N 2 1 326.444 1.906 20 0 EDADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000261627285 139212451 /nfs/dbraw/zinc/21/24/51/139212451.db2.gz BNSZKFKEIBYVBO-UHFFFAOYSA-N 2 1 331.338 1.449 20 0 EDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000261615112 139211199 /nfs/dbraw/zinc/21/11/99/139211199.db2.gz COGPSFQLTONFIH-IBGZPJMESA-N 2 1 331.460 1.859 20 0 EDADMP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261653423 139214683 /nfs/dbraw/zinc/21/46/83/139214683.db2.gz FFYSDWVWTSSXAU-CLCXKQKWSA-N 2 1 347.459 1.344 20 0 EDADMP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261653423 139214684 /nfs/dbraw/zinc/21/46/84/139214684.db2.gz FFYSDWVWTSSXAU-CLCXKQKWSA-N 2 1 347.459 1.344 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000261660600 139215308 /nfs/dbraw/zinc/21/53/08/139215308.db2.gz FQQPZDLQTDVIMG-CKFHNAJUSA-N 2 1 347.459 1.694 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000261660600 139215309 /nfs/dbraw/zinc/21/53/09/139215309.db2.gz FQQPZDLQTDVIMG-CKFHNAJUSA-N 2 1 347.459 1.694 20 0 EDADMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261736902 139221968 /nfs/dbraw/zinc/22/19/68/139221968.db2.gz IAXIYXIBDRQMTO-OTWHNJEPSA-N 2 1 343.471 1.345 20 0 EDADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261736902 139221969 /nfs/dbraw/zinc/22/19/69/139221969.db2.gz IAXIYXIBDRQMTO-OTWHNJEPSA-N 2 1 343.471 1.345 20 0 EDADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc2c(c1)OCO2 ZINC000261756619 139223546 /nfs/dbraw/zinc/22/35/46/139223546.db2.gz VGPOIBXWXGGLNY-HNNXBMFYSA-N 2 1 331.416 1.818 20 0 EDADMP CCn1nc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c2ccccc21 ZINC000261779422 139225401 /nfs/dbraw/zinc/22/54/01/139225401.db2.gz XTXVNRHNRPHRPO-AWEZNQCLSA-N 2 1 329.448 1.343 20 0 EDADMP [NH3+]C1(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCOCC1 ZINC000261780165 139225412 /nfs/dbraw/zinc/22/54/12/139225412.db2.gz HISCNYBCBBHVKN-CQSZACIVSA-N 2 1 337.489 1.584 20 0 EDADMP C[C@@H](c1ccc(NC(=O)C2([NH3+])CCOCC2)cc1)[NH+]1CCOCC1 ZINC000261936340 139238421 /nfs/dbraw/zinc/23/84/21/139238421.db2.gz WYDGYPIQOWOHLR-AWEZNQCLSA-N 2 1 333.432 1.526 20 0 EDADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261939732 139238783 /nfs/dbraw/zinc/23/87/83/139238783.db2.gz MPNHMNBNLBUVLK-KZNAEPCWSA-N 2 1 331.460 1.635 20 0 EDADMP CCc1nc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cs1 ZINC000261970015 139240689 /nfs/dbraw/zinc/24/06/89/139240689.db2.gz YVBLQHKWRHOHQG-ZFWWWQNUSA-N 2 1 336.505 1.786 20 0 EDADMP CCc1nc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cs1 ZINC000261970015 139240690 /nfs/dbraw/zinc/24/06/90/139240690.db2.gz YVBLQHKWRHOHQG-ZFWWWQNUSA-N 2 1 336.505 1.786 20 0 EDADMP Cn1cnc2cc(C[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])ccc21 ZINC000262075220 139248797 /nfs/dbraw/zinc/24/87/97/139248797.db2.gz SLLCCXIIEXIIFP-HNNXBMFYSA-N 2 1 329.448 1.393 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000262128165 139253320 /nfs/dbraw/zinc/25/33/20/139253320.db2.gz CUEMRZGXOQOIOV-MAUKXSAKSA-N 2 1 349.450 1.785 20 0 EDADMP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262184229 139258259 /nfs/dbraw/zinc/25/82/59/139258259.db2.gz XGUBLMXXVCQKCG-RDJZCZTQSA-N 2 1 347.459 1.106 20 0 EDADMP COc1ccc([C@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)cc1OC ZINC000262224093 139261406 /nfs/dbraw/zinc/26/14/06/139261406.db2.gz UUVPQZPFHNOTTN-MRXNPFEDSA-N 2 1 347.459 1.663 20 0 EDADMP C[N@@H+](CCCNC(=O)N[C@@H](CC[NH3+])C(F)F)Cc1ccccc1 ZINC000416874310 251114801 /nfs/dbraw/zinc/11/48/01/251114801.db2.gz PHNPGKKFJUTJSV-AWEZNQCLSA-N 2 1 328.407 1.790 20 0 EDADMP [NH3+]C[C@@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416879898 251117285 /nfs/dbraw/zinc/11/72/85/251117285.db2.gz KKKKTSPKGXODGV-SFHVURJKSA-N 2 1 346.475 1.542 20 0 EDADMP CC[C@@H](CNC(=O)NCC[NH2+]CCOC)[N@H+]1CCc2ccccc2C1 ZINC000417008976 251128064 /nfs/dbraw/zinc/12/80/64/251128064.db2.gz JNWJUBWEEMNIBT-SFHVURJKSA-N 2 1 348.491 1.359 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000417009642 251129532 /nfs/dbraw/zinc/12/95/32/251129532.db2.gz NWTWDXSQKHUHFP-UHFFFAOYSA-N 2 1 342.487 1.830 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@H]2COCC[NH2+]2)cc1F ZINC000262337448 139271333 /nfs/dbraw/zinc/27/13/33/139271333.db2.gz HMCLEPHWHDARKP-AWEZNQCLSA-N 2 1 332.379 1.315 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000417413246 251164635 /nfs/dbraw/zinc/16/46/35/251164635.db2.gz XPGIWWDZKGVSNZ-QZTJIDSGSA-N 2 1 330.476 1.889 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417567535 251190458 /nfs/dbraw/zinc/19/04/58/251190458.db2.gz NWISUJHRHXQKSF-QGZVFWFLSA-N 2 1 340.512 1.648 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000417566773 251191051 /nfs/dbraw/zinc/19/10/51/251191051.db2.gz MZHCIRLFJUSOTD-LSDHHAIUSA-N 2 1 326.485 1.175 20 0 EDADMP C[C@H](CNC(=O)C1(C[NH3+])CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000262394230 139275933 /nfs/dbraw/zinc/27/59/33/139275933.db2.gz YDMFZDBDVZQDMF-OAHLLOKOSA-N 2 1 331.460 1.305 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)[nH+]1 ZINC000417688543 251229971 /nfs/dbraw/zinc/22/99/71/251229971.db2.gz DZLSYMFHPCVXQW-JKSUJKDBSA-N 2 1 343.475 1.610 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)[nH+]1 ZINC000417707587 251236418 /nfs/dbraw/zinc/23/64/18/251236418.db2.gz XPIGZIVREGFOLO-SFHVURJKSA-N 2 1 331.464 1.739 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417726155 251244455 /nfs/dbraw/zinc/24/44/55/251244455.db2.gz HBSSCEFGZAWEHL-CVEARBPZSA-N 2 1 333.480 1.234 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000417730519 251247126 /nfs/dbraw/zinc/24/71/26/251247126.db2.gz MRSODCHLWNWRCO-JFIYKMOQSA-N 2 1 345.491 1.186 20 0 EDADMP [NH3+]Cc1nc(-c2ccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])cc2)n[nH]1 ZINC000417831404 251288546 /nfs/dbraw/zinc/28/85/46/251288546.db2.gz QSOOZYLHHSDSBV-GXTWGEPZSA-N 2 1 328.420 1.777 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)CC1 ZINC000417817124 251283349 /nfs/dbraw/zinc/28/33/49/251283349.db2.gz VIZFRCGPGVULKL-QGZVFWFLSA-N 2 1 344.475 1.219 20 0 EDADMP CC[N@@H+](CCNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)CCC(F)(F)F ZINC000418078652 251320265 /nfs/dbraw/zinc/32/02/65/251320265.db2.gz OPSWAHQIJDHOSZ-AVGNSLFASA-N 2 1 336.402 1.639 20 0 EDADMP [NH3+]CCCOC1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000418109376 251325610 /nfs/dbraw/zinc/32/56/10/251325610.db2.gz CMYJGRMSIWUJRE-INIZCTEOSA-N 2 1 338.496 1.543 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@H]1CCC[NH2+]C1 ZINC000262521354 139283978 /nfs/dbraw/zinc/28/39/78/139283978.db2.gz ZXSIVGBGTHABKO-ZWKOTPCHSA-N 2 1 331.460 1.393 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@H]1CCC[NH2+]C1 ZINC000262521354 139283979 /nfs/dbraw/zinc/28/39/79/139283979.db2.gz ZXSIVGBGTHABKO-ZWKOTPCHSA-N 2 1 331.460 1.393 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418476179 251373977 /nfs/dbraw/zinc/37/39/77/251373977.db2.gz SDUNKBSICKNFNC-HNNXBMFYSA-N 2 1 328.501 1.361 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000418128268 251336747 /nfs/dbraw/zinc/33/67/47/251336747.db2.gz APNDTBFBRFHTOR-QAPCUYQASA-N 2 1 330.476 1.900 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000418707887 251389534 /nfs/dbraw/zinc/38/95/34/251389534.db2.gz GRGARJGUYXKEKJ-MRXNPFEDSA-N 2 1 334.464 1.650 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000418710961 251391255 /nfs/dbraw/zinc/39/12/55/251391255.db2.gz FGPDWMKPFFLCJZ-QXSJWSMHSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000418710961 251391260 /nfs/dbraw/zinc/39/12/60/251391260.db2.gz FGPDWMKPFFLCJZ-QXSJWSMHSA-N 2 1 326.485 1.255 20 0 EDADMP CCc1ccc([C@H](CNC(=O)[C@@H]([NH2+]C)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000262572222 139287528 /nfs/dbraw/zinc/28/75/28/139287528.db2.gz SNSMASIOBQJPFO-ROUUACIJSA-N 2 1 343.475 1.662 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000418531478 251378048 /nfs/dbraw/zinc/37/80/48/251378048.db2.gz XIPDEGKQSJANDY-UHFFFAOYSA-N 2 1 340.512 1.648 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418640637 251381793 /nfs/dbraw/zinc/38/17/93/251381793.db2.gz RBXTZRGGSOKDCK-FHLIZLRMSA-N 2 1 330.476 1.855 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000418678637 251383826 /nfs/dbraw/zinc/38/38/26/251383826.db2.gz WBYATGRUSGUPFL-BDXSIMOUSA-N 2 1 328.460 1.510 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418701805 251387703 /nfs/dbraw/zinc/38/77/03/251387703.db2.gz DEKZZNNSPUHOOO-KURKYZTESA-N 2 1 330.476 1.887 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000262638358 139292206 /nfs/dbraw/zinc/29/22/06/139292206.db2.gz IJZNITOUZTZTKV-ZBFHGGJFSA-N 2 1 330.432 1.074 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000262638358 139292207 /nfs/dbraw/zinc/29/22/07/139292207.db2.gz IJZNITOUZTZTKV-ZBFHGGJFSA-N 2 1 330.432 1.074 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)C[NH2+]CC2CC2)CC1)Cc1ccccc1 ZINC000262667395 139294815 /nfs/dbraw/zinc/29/48/15/139294815.db2.gz QAGZCLWESGGEMX-UHFFFAOYSA-N 2 1 344.503 1.262 20 0 EDADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262791068 139303811 /nfs/dbraw/zinc/30/38/11/139303811.db2.gz OGMSHLXNTUCUMD-HZPDHXFCSA-N 2 1 342.447 1.617 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422886489 252011962 /nfs/dbraw/zinc/01/19/62/252011962.db2.gz JERQUVWZTXTMOD-HDMKZQKVSA-N 3 1 332.492 1.599 20 0 EDADMP CC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)[C@H]1CCCC[NH2+]1 ZINC000422906900 252018260 /nfs/dbraw/zinc/01/82/60/252018260.db2.gz VZIOYFOGGGTMLE-GVDBMIGSSA-N 2 1 327.538 1.705 20 0 EDADMP C[C@H]1CC[NH2+][C@H](C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000424025532 252117064 /nfs/dbraw/zinc/11/70/64/252117064.db2.gz ZHBXBTAHOPZMLN-WMZOPIPTSA-N 2 1 344.503 1.484 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424140039 252140587 /nfs/dbraw/zinc/14/05/87/252140587.db2.gz AWVURSUHGMVUBU-QLFBSQMISA-N 2 1 334.468 1.053 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424130321 252133578 /nfs/dbraw/zinc/13/35/78/252133578.db2.gz DZPTVBDJDQQAHM-CABCVRRESA-N 2 1 334.468 1.197 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424438941 252230824 /nfs/dbraw/zinc/23/08/24/252230824.db2.gz MLBLBDMFYMTGEO-UHFFFAOYSA-N 2 1 329.404 1.104 20 0 EDADMP O=C(N[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424482187 252248985 /nfs/dbraw/zinc/24/89/85/252248985.db2.gz SZJIDBRHOPJSPR-RCCFBDPRSA-N 2 1 328.460 1.654 20 0 EDADMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000263122585 139323622 /nfs/dbraw/zinc/32/36/22/139323622.db2.gz BCFAYQHMGXNDDO-VQIMIIECSA-N 2 1 349.438 1.604 20 0 EDADMP O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000329166157 285035108 /nfs/dbraw/zinc/03/51/08/285035108.db2.gz HXQMGYJTAASHCH-KFWWJZLASA-N 2 1 327.494 1.159 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000378269392 285035938 /nfs/dbraw/zinc/03/59/38/285035938.db2.gz GQTDDEIDRGAKRY-GOEBONIOSA-N 2 1 329.510 1.041 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000349929664 285059362 /nfs/dbraw/zinc/05/93/62/285059362.db2.gz CKQUGRIRRDELAP-TWMKSMIVSA-N 2 1 340.512 1.373 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000349929664 285059367 /nfs/dbraw/zinc/05/93/67/285059367.db2.gz CKQUGRIRRDELAP-TWMKSMIVSA-N 2 1 340.512 1.373 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000349929664 285059371 /nfs/dbraw/zinc/05/93/71/285059371.db2.gz CKQUGRIRRDELAP-TWMKSMIVSA-N 2 1 340.512 1.373 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CC[C@H]([NH3+])C3)c2)CCO1 ZINC000263279169 139332786 /nfs/dbraw/zinc/33/27/86/139332786.db2.gz RLHWMUROXWSLTC-JLSDUUJJSA-N 2 1 331.460 1.651 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CC[C@H]([NH3+])C3)c2)CCO1 ZINC000263279169 139332787 /nfs/dbraw/zinc/33/27/87/139332787.db2.gz RLHWMUROXWSLTC-JLSDUUJJSA-N 2 1 331.460 1.651 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000112466517 220333034 /nfs/dbraw/zinc/33/30/34/220333034.db2.gz LKQQPJKILXHQEM-UHFFFAOYSA-N 2 1 340.512 1.472 20 0 EDADMP COC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000183426775 533097587 /nfs/dbraw/zinc/09/75/87/533097587.db2.gz IFRABMKJJPSCQZ-LZQZEXGQSA-N 2 1 345.487 1.780 20 0 EDADMP COC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000262365490 285225854 /nfs/dbraw/zinc/22/58/54/285225854.db2.gz VZXCDGMSXWGDKN-RVKKMQEKSA-N 2 1 333.476 1.754 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000263773656 139359386 /nfs/dbraw/zinc/35/93/86/139359386.db2.gz NLFYKDDLOICRIW-AWEZNQCLSA-N 2 1 328.482 1.228 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471646488 255015026 /nfs/dbraw/zinc/01/50/26/255015026.db2.gz VOBAZWDZSLQJGI-INIZCTEOSA-N 2 1 342.528 1.764 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N1CC[C@@H](COC)C1 ZINC000337796068 285243572 /nfs/dbraw/zinc/24/35/72/285243572.db2.gz FLGMNHSEZZTNCU-IAGOWNOFSA-N 2 1 340.512 1.423 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@H]3CC[NH+](CC4CCCC4)C3)C2)C1 ZINC000489373640 255067812 /nfs/dbraw/zinc/06/78/12/255067812.db2.gz SLCHTIKFPZQQHA-PKOBYXMFSA-N 2 1 334.508 1.988 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)C2)C1 ZINC000489373640 255067814 /nfs/dbraw/zinc/06/78/14/255067814.db2.gz SLCHTIKFPZQQHA-PKOBYXMFSA-N 2 1 334.508 1.988 20 0 EDADMP C[NH+]1CC[C@@]2(CCN(C(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)C2)C1 ZINC000489373640 255067816 /nfs/dbraw/zinc/06/78/16/255067816.db2.gz SLCHTIKFPZQQHA-PKOBYXMFSA-N 2 1 334.508 1.988 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC)cc1O ZINC000094082889 285249337 /nfs/dbraw/zinc/24/93/37/285249337.db2.gz TXYMYHCSJKXKDS-OAHLLOKOSA-N 2 1 349.475 1.889 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000493991417 255230297 /nfs/dbraw/zinc/23/02/97/255230297.db2.gz HLHFQLUJYJTYIG-JKSUJKDBSA-N 3 1 338.540 1.624 20 0 EDADMP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000493991412 255230483 /nfs/dbraw/zinc/23/04/83/255230483.db2.gz HLHFQLUJYJTYIG-HOTGVXAUSA-N 3 1 338.540 1.624 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496119217 255354980 /nfs/dbraw/zinc/35/49/80/255354980.db2.gz FFSGQOAEPKIZPO-CYBMUJFWSA-N 2 1 327.473 1.357 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496164419 255359894 /nfs/dbraw/zinc/35/98/94/255359894.db2.gz BPADJVTVHSDICV-CRAIPNDOSA-N 2 1 343.512 1.972 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496246214 255370061 /nfs/dbraw/zinc/37/00/61/255370061.db2.gz MKTPQUZQZYQTKQ-QGZVFWFLSA-N 2 1 340.468 1.789 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496246214 255370062 /nfs/dbraw/zinc/37/00/62/255370062.db2.gz MKTPQUZQZYQTKQ-QGZVFWFLSA-N 2 1 340.468 1.789 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC(C)(C)O ZINC000361778677 285277774 /nfs/dbraw/zinc/27/77/74/285277774.db2.gz ICHMSJIEKTWUDG-HNNXBMFYSA-N 2 1 328.501 1.205 20 0 EDADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CCCC[NH+]1CCOCC1 ZINC000264674112 139424012 /nfs/dbraw/zinc/42/40/12/139424012.db2.gz MOSMXGQUUUOFEG-LJQANCHMSA-N 2 1 347.503 1.778 20 0 EDADMP C[C@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000332211979 141141179 /nfs/dbraw/zinc/14/11/79/141141179.db2.gz VDSCOHMGIIZXGH-JKSUJKDBSA-N 2 1 337.489 1.381 20 0 EDADMP C[C@@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000332211977 141141284 /nfs/dbraw/zinc/14/12/84/141141284.db2.gz VDSCOHMGIIZXGH-HZPDHXFCSA-N 2 1 337.489 1.381 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)CC2)c1=O ZINC000332407041 141176850 /nfs/dbraw/zinc/17/68/50/141176850.db2.gz YPNSIJVJUJHLLF-GOEBONIOSA-N 2 1 333.480 1.162 20 0 EDADMP CCn1ccnc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)CC2)c1=O ZINC000332407041 141176851 /nfs/dbraw/zinc/17/68/51/141176851.db2.gz YPNSIJVJUJHLLF-GOEBONIOSA-N 2 1 333.480 1.162 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NC(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000333315744 141297840 /nfs/dbraw/zinc/29/78/40/141297840.db2.gz OVGBHYJKCPCXCU-HOTGVXAUSA-N 2 1 339.528 1.040 20 0 EDADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1CC(C)(C)O ZINC000333399976 141311717 /nfs/dbraw/zinc/31/17/17/141311717.db2.gz YPMBIGIEKIHBPP-CQSZACIVSA-N 2 1 346.475 1.641 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333481113 141324349 /nfs/dbraw/zinc/32/43/49/141324349.db2.gz CBXQCJMYNORVAY-UXLLHSPISA-N 2 1 338.496 1.269 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000333531479 141332340 /nfs/dbraw/zinc/33/23/40/141332340.db2.gz HZOMYXISTZBPLK-LRDDRELGSA-N 2 1 346.479 1.359 20 0 EDADMP Cc1cc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000333641493 141349252 /nfs/dbraw/zinc/34/92/52/141349252.db2.gz UKIAHAPILJSKRA-SJORKVTESA-N 2 1 343.475 1.741 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)c1 ZINC000333862945 141396447 /nfs/dbraw/zinc/39/64/47/141396447.db2.gz SLDIEPOMUKDGME-SFHVURJKSA-N 2 1 331.464 1.611 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339409463 142040441 /nfs/dbraw/zinc/04/04/41/142040441.db2.gz ZAIVFYPNDRHDDY-KRWDZBQOSA-N 2 1 331.460 1.341 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000340048231 142247854 /nfs/dbraw/zinc/24/78/54/142247854.db2.gz QKAYKJIBUMGZKA-UHFFFAOYSA-N 2 1 343.431 1.429 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)[NH+](C)C1 ZINC000346227118 143180989 /nfs/dbraw/zinc/18/09/89/143180989.db2.gz BLWOFHDIKYKTMO-YLFCFFPRSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)[N@H+](C)C1 ZINC000346227118 143180990 /nfs/dbraw/zinc/18/09/90/143180990.db2.gz BLWOFHDIKYKTMO-YLFCFFPRSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)[N@@H+](C)C1 ZINC000346227118 143180991 /nfs/dbraw/zinc/18/09/91/143180991.db2.gz BLWOFHDIKYKTMO-YLFCFFPRSA-N 2 1 340.512 1.467 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)[NH+](C)C1 ZINC000346248458 143183327 /nfs/dbraw/zinc/18/33/27/143183327.db2.gz XCCOTWWMPYTOQV-YLFCFFPRSA-N 2 1 340.512 1.610 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)[N@H+](C)C1 ZINC000346248458 143183328 /nfs/dbraw/zinc/18/33/28/143183328.db2.gz XCCOTWWMPYTOQV-YLFCFFPRSA-N 2 1 340.512 1.610 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)[N@@H+](C)C1 ZINC000346248458 143183329 /nfs/dbraw/zinc/18/33/29/143183329.db2.gz XCCOTWWMPYTOQV-YLFCFFPRSA-N 2 1 340.512 1.610 20 0 EDADMP CCc1ncc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000346667885 143228996 /nfs/dbraw/zinc/22/89/96/143228996.db2.gz FIWRRZGGCXLOBN-HIFRSBDPSA-N 2 1 336.505 1.786 20 0 EDADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000347092876 143281760 /nfs/dbraw/zinc/28/17/60/143281760.db2.gz GHLKWYXYCBGFJR-AEFFLSMTSA-N 2 1 345.487 1.943 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000347432143 143320223 /nfs/dbraw/zinc/32/02/23/143320223.db2.gz OKKZAHFHSIKPMG-INIZCTEOSA-N 2 1 339.867 1.517 20 0 EDADMP CCCC[C@H](COC)NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000347479988 143326938 /nfs/dbraw/zinc/32/69/38/143326938.db2.gz LQRKUJJCGQBECE-MRXNPFEDSA-N 2 1 342.528 1.859 20 0 EDADMP CCCC[C@H](COC)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000347479988 143326939 /nfs/dbraw/zinc/32/69/39/143326939.db2.gz LQRKUJJCGQBECE-MRXNPFEDSA-N 2 1 342.528 1.859 20 0 EDADMP CO[C@H]1C[C@H](CN(C)C(=O)NCC2CC[NH+](C3CC3)CC2)[N@@H+](C)C1 ZINC000348032868 143394042 /nfs/dbraw/zinc/39/40/42/143394042.db2.gz PHIDPNMKDONNGL-SJORKVTESA-N 2 1 338.496 1.221 20 0 EDADMP O=C(NC[C@H]1CCc2[nH+]ccn2C1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369812513 155188001 /nfs/dbraw/zinc/18/80/01/155188001.db2.gz ALDUOOVZURFFAA-HUUCEWRRSA-N 2 1 331.464 1.762 20 0 EDADMP O=C(NC[C@H]1CCc2[nH+]ccn2C1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000369812513 155188003 /nfs/dbraw/zinc/18/80/03/155188003.db2.gz ALDUOOVZURFFAA-HUUCEWRRSA-N 2 1 331.464 1.762 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000352672780 149111338 /nfs/dbraw/zinc/11/13/38/149111338.db2.gz AQCDXIRZNMJQFV-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000352672780 149111340 /nfs/dbraw/zinc/11/13/40/149111340.db2.gz AQCDXIRZNMJQFV-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[NH+](C)CCNC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000352672780 149111341 /nfs/dbraw/zinc/11/13/41/149111341.db2.gz AQCDXIRZNMJQFV-MRXNPFEDSA-N 2 1 340.512 1.613 20 0 EDADMP CO[C@H](C)c1noc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)n1 ZINC000369908074 155225760 /nfs/dbraw/zinc/22/57/60/155225760.db2.gz JDGSOZAEOOZCII-ZIAGYGMSSA-N 2 1 337.468 1.377 20 0 EDADMP COC[C@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000352874354 149198563 /nfs/dbraw/zinc/19/85/63/149198563.db2.gz VSNFNPKPNKKDGX-MSOLQXFVSA-N 2 1 345.487 1.860 20 0 EDADMP COC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000352874354 149198565 /nfs/dbraw/zinc/19/85/65/149198565.db2.gz VSNFNPKPNKKDGX-MSOLQXFVSA-N 2 1 345.487 1.860 20 0 EDADMP Cc1[nH]nc2ncc(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc12 ZINC000353360905 149379351 /nfs/dbraw/zinc/37/93/51/149379351.db2.gz NRMCBMQWJGYHFC-CYBMUJFWSA-N 2 1 331.464 1.791 20 0 EDADMP CCn1nccc1C[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354935395 150040750 /nfs/dbraw/zinc/04/07/50/150040750.db2.gz QCKHMMIPUUUDJD-ZFWWWQNUSA-N 2 1 347.442 1.466 20 0 EDADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000355518641 150300899 /nfs/dbraw/zinc/30/08/99/150300899.db2.gz DNFWTSHQIOVDJS-FUHWJXTLSA-N 2 1 332.492 1.895 20 0 EDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417036991 304364178 /nfs/dbraw/zinc/36/41/78/304364178.db2.gz SZFIGRBMCACSSP-FQEVSTJZSA-N 2 1 342.487 1.830 20 0 EDADMP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000370018534 155283163 /nfs/dbraw/zinc/28/31/63/155283163.db2.gz NMZPSUFYOXVUPC-QZTJIDSGSA-N 2 1 336.524 1.251 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000370018534 155283168 /nfs/dbraw/zinc/28/31/68/155283168.db2.gz NMZPSUFYOXVUPC-QZTJIDSGSA-N 2 1 336.524 1.251 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000370018534 155283171 /nfs/dbraw/zinc/28/31/71/155283171.db2.gz NMZPSUFYOXVUPC-QZTJIDSGSA-N 2 1 336.524 1.251 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@]2(O)CC[NH+](C)C2)cc1)C(C)C ZINC000358056983 151250596 /nfs/dbraw/zinc/25/05/96/151250596.db2.gz BWVBIAUZSCNUFZ-LJQANCHMSA-N 2 1 333.476 1.713 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1)C(C)C ZINC000358056983 151250599 /nfs/dbraw/zinc/25/05/99/151250599.db2.gz BWVBIAUZSCNUFZ-LJQANCHMSA-N 2 1 333.476 1.713 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1)C(C)C ZINC000358056983 151250601 /nfs/dbraw/zinc/25/06/01/151250601.db2.gz BWVBIAUZSCNUFZ-LJQANCHMSA-N 2 1 333.476 1.713 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000358073533 151259838 /nfs/dbraw/zinc/25/98/38/151259838.db2.gz QCEJQUAYHDQXSK-UHFFFAOYSA-N 2 1 332.448 1.404 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000358105655 151272685 /nfs/dbraw/zinc/27/26/85/151272685.db2.gz OXJRARSUEGNCRL-IAGOWNOFSA-N 2 1 336.524 1.393 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)[C@@H](C)C1 ZINC000358141506 151286717 /nfs/dbraw/zinc/28/67/17/151286717.db2.gz PNTMUNNVQWKPNV-WMZOPIPTSA-N 2 1 336.524 1.251 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000358274341 151323349 /nfs/dbraw/zinc/32/33/49/151323349.db2.gz LBRUVZWQARMTQD-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000358274341 151323350 /nfs/dbraw/zinc/32/33/50/151323350.db2.gz LBRUVZWQARMTQD-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000358274341 151323352 /nfs/dbraw/zinc/32/33/52/151323352.db2.gz LBRUVZWQARMTQD-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[NH+]1CCC[C@H]1CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000358274341 151323355 /nfs/dbraw/zinc/32/33/55/151323355.db2.gz LBRUVZWQARMTQD-INIZCTEOSA-N 2 1 340.512 1.613 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360659575 152142399 /nfs/dbraw/zinc/14/23/99/152142399.db2.gz YXGJLKIKFIJAFP-GDBMZVCRSA-N 2 1 328.526 1.597 20 0 EDADMP CC(C)CC[C@H](O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000360686989 152153425 /nfs/dbraw/zinc/15/34/25/152153425.db2.gz ANJMZEXIDODGBE-OALUTQOASA-N 2 1 341.540 1.510 20 0 EDADMP CSC1(CNC(=O)N2CC[NH+](C3CC3)CC2)CC[NH+](C)CC1 ZINC000360698424 152158845 /nfs/dbraw/zinc/15/88/45/152158845.db2.gz WDAFJKMOARGGKQ-UHFFFAOYSA-N 2 1 326.510 1.303 20 0 EDADMP CC(C)[NH+](CCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(C)C ZINC000360849516 152228768 /nfs/dbraw/zinc/22/87/68/152228768.db2.gz MMIDIRPNGMLXOY-DLBZAZTESA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000361109683 152308929 /nfs/dbraw/zinc/30/89/29/152308929.db2.gz NPZIHHPLRLLWKV-ROUUACIJSA-N 2 1 346.523 1.451 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000363597265 153008914 /nfs/dbraw/zinc/00/89/14/153008914.db2.gz LXTLCDAPPNWRJZ-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000363597265 153008916 /nfs/dbraw/zinc/00/89/16/153008916.db2.gz LXTLCDAPPNWRJZ-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000363597265 153008917 /nfs/dbraw/zinc/00/89/17/153008917.db2.gz LXTLCDAPPNWRJZ-INIZCTEOSA-N 2 1 325.497 1.726 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000364311319 153203115 /nfs/dbraw/zinc/20/31/15/153203115.db2.gz AOUFJCUHCWYFOS-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000364311319 153203117 /nfs/dbraw/zinc/20/31/17/153203117.db2.gz AOUFJCUHCWYFOS-INIZCTEOSA-N 2 1 325.497 1.868 20 0 EDADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000364731755 153317153 /nfs/dbraw/zinc/31/71/53/153317153.db2.gz CFOUMIBZFFZWPY-GFCCVEGCSA-N 2 1 328.420 1.119 20 0 EDADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000417218404 304385467 /nfs/dbraw/zinc/38/54/67/304385467.db2.gz GPMJZWMYYXQRSH-GXTWGEPZSA-N 2 1 326.391 1.715 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000417218404 304385469 /nfs/dbraw/zinc/38/54/69/304385469.db2.gz GPMJZWMYYXQRSH-GXTWGEPZSA-N 2 1 326.391 1.715 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]([NH3+])C2CC2)cc1F ZINC000417282134 304389196 /nfs/dbraw/zinc/38/91/96/304389196.db2.gz URYJERJWHPCRHE-OAHLLOKOSA-N 2 1 331.395 1.856 20 0 EDADMP CN(C)S(=O)(=O)CC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367133415 154018865 /nfs/dbraw/zinc/01/88/65/154018865.db2.gz MOUSHIWRQZQJCY-AWEZNQCLSA-N 2 1 329.510 1.074 20 0 EDADMP CN(C)S(=O)(=O)CCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367137702 154019776 /nfs/dbraw/zinc/01/97/76/154019776.db2.gz KJMCWZFXGOCXLR-AWEZNQCLSA-N 2 1 340.493 1.290 20 0 EDADMP Cn1nccc1CC[N@@H+](C)[C@H]1CCC[NH+](CCc2ccnn2C)CC1 ZINC000367179033 154031001 /nfs/dbraw/zinc/03/10/01/154031001.db2.gz CTBVEJIPAPXXPI-KRWDZBQOSA-N 2 1 344.507 1.725 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)CC1 ZINC000367381332 154096114 /nfs/dbraw/zinc/09/61/14/154096114.db2.gz XREHKXWOQWSFDO-KSZLIROESA-N 2 1 337.508 1.678 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)CC1 ZINC000367381332 154096119 /nfs/dbraw/zinc/09/61/19/154096119.db2.gz XREHKXWOQWSFDO-KSZLIROESA-N 2 1 337.508 1.678 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@](C)(O)C3CC3)CC2)CC1 ZINC000367465851 154134745 /nfs/dbraw/zinc/13/47/45/154134745.db2.gz OPKYONWDQBLDOK-LJQANCHMSA-N 2 1 337.508 1.460 20 0 EDADMP C[C@H]([NH2+]CCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(=O)[nH]n1 ZINC000367520288 154157318 /nfs/dbraw/zinc/15/73/18/154157318.db2.gz VFVJRXWPBYNAQP-MAUKXSAKSA-N 2 1 341.459 1.822 20 0 EDADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(=O)[nH]n1 ZINC000367520288 154157321 /nfs/dbraw/zinc/15/73/21/154157321.db2.gz VFVJRXWPBYNAQP-MAUKXSAKSA-N 2 1 341.459 1.822 20 0 EDADMP CC(C)[NH+](CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)C ZINC000369027085 154830885 /nfs/dbraw/zinc/83/08/85/154830885.db2.gz LAMKVBGMWYUAJH-CVEARBPZSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@H](CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C[NH+]1CCOCC1 ZINC000371694246 156065863 /nfs/dbraw/zinc/06/58/63/156065863.db2.gz UEEYXXWXBMGUMZ-MGNMYUMUSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@H](CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C[NH+]1CCOCC1 ZINC000371694246 156065866 /nfs/dbraw/zinc/06/58/66/156065866.db2.gz UEEYXXWXBMGUMZ-MGNMYUMUSA-N 2 1 338.496 1.127 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000175734435 292335128 /nfs/dbraw/zinc/33/51/28/292335128.db2.gz XMJHWJTXCTUQCD-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CC[C@@]1(C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000372190653 156264254 /nfs/dbraw/zinc/26/42/54/156264254.db2.gz CFNLGSNJUKBIQD-HXUWFJFHSA-N 2 1 344.503 1.657 20 0 EDADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC000374065406 157127657 /nfs/dbraw/zinc/12/76/57/157127657.db2.gz NLDOBAGXEIFENJ-UHFFFAOYSA-N 2 1 347.507 1.669 20 0 EDADMP CCCn1cc(C[N@H+]2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC000374065406 157127664 /nfs/dbraw/zinc/12/76/64/157127664.db2.gz NLDOBAGXEIFENJ-UHFFFAOYSA-N 2 1 347.507 1.669 20 0 EDADMP Cc1cc(N2CCC([N@@H+](C)CCN3CCO[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000374203574 157192143 /nfs/dbraw/zinc/19/21/43/157192143.db2.gz FACGSUZAXMPGOS-INIZCTEOSA-N 2 1 347.507 1.715 20 0 EDADMP Cc1cc(N2CCC([N@H+](C)CCN3CCO[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000374203574 157192145 /nfs/dbraw/zinc/19/21/45/157192145.db2.gz FACGSUZAXMPGOS-INIZCTEOSA-N 2 1 347.507 1.715 20 0 EDADMP Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374231082 157205255 /nfs/dbraw/zinc/20/52/55/157205255.db2.gz OQWLWXFQAKDSOG-HOCLYGCPSA-N 2 1 345.491 1.125 20 0 EDADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCCN1C(=O)CNC1=O)CC2)C1CC1 ZINC000374284574 157226019 /nfs/dbraw/zinc/22/60/19/157226019.db2.gz AMAGAYVWYRYIKZ-AWEZNQCLSA-N 2 1 334.464 1.125 20 0 EDADMP CCCNC(=O)NC(=O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374317747 157240350 /nfs/dbraw/zinc/24/03/50/157240350.db2.gz NGGIDKUMNRFRAT-AWEZNQCLSA-N 2 1 336.480 1.419 20 0 EDADMP Cc1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000374430778 157287773 /nfs/dbraw/zinc/28/77/73/157287773.db2.gz UGDPECIVFONBAA-HNBVOPMISA-N 2 1 348.487 1.918 20 0 EDADMP CC(C)c1ncc2c(n1)C[N@@H+](CCC(=O)N1CCN(C)CC1)CC2 ZINC000374774525 157396247 /nfs/dbraw/zinc/39/62/47/157396247.db2.gz BFFYTXGEEYUIIK-UHFFFAOYSA-N 2 1 331.464 1.122 20 0 EDADMP CC(C)c1ncc2c(n1)C[N@H+](CCC(=O)N1CCN(C)CC1)CC2 ZINC000374774525 157396251 /nfs/dbraw/zinc/39/62/51/157396251.db2.gz BFFYTXGEEYUIIK-UHFFFAOYSA-N 2 1 331.464 1.122 20 0 EDADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)CCCO2 ZINC000178671597 292367555 /nfs/dbraw/zinc/36/75/55/292367555.db2.gz XDLHQLOSCYPVEE-QGZVFWFLSA-N 2 1 331.460 1.962 20 0 EDADMP C[C@@H]1CN=C(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)S1 ZINC000377891805 158021608 /nfs/dbraw/zinc/02/16/08/158021608.db2.gz DFOICZCVQLJENG-CHWSQXEVSA-N 2 1 333.461 1.396 20 0 EDADMP C[N@@H+](Cc1c[nH]c2nccnc12)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378126915 158086334 /nfs/dbraw/zinc/08/63/34/158086334.db2.gz DATBFBIDVKQLCO-MRXNPFEDSA-N 2 1 328.464 1.510 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCOC[C@H]1CCOC1 ZINC000378187214 158103002 /nfs/dbraw/zinc/10/30/02/158103002.db2.gz ZOKTUZWWDCDMTP-YRXWBPOGSA-N 2 1 340.508 1.909 20 0 EDADMP COCCC[N@H+]1CCCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000378201970 158107649 /nfs/dbraw/zinc/10/76/49/158107649.db2.gz LZCQJYDCGBGACI-INIZCTEOSA-N 2 1 325.497 1.583 20 0 EDADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000378238338 158118205 /nfs/dbraw/zinc/11/82/05/158118205.db2.gz KVZPIDDMUXEBMQ-QUCCMNQESA-N 2 1 347.503 1.778 20 0 EDADMP COC(=O)c1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)oc1C ZINC000378424332 158170195 /nfs/dbraw/zinc/17/01/95/158170195.db2.gz DTBFDVAZQSWHKQ-INIZCTEOSA-N 2 1 349.475 1.975 20 0 EDADMP COC(=O)c1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)oc1C ZINC000378424332 158170198 /nfs/dbraw/zinc/17/01/98/158170198.db2.gz DTBFDVAZQSWHKQ-INIZCTEOSA-N 2 1 349.475 1.975 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000378511389 158195437 /nfs/dbraw/zinc/19/54/37/158195437.db2.gz ACMNIERQISMTOR-MRXNPFEDSA-N 2 1 349.523 1.817 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000378511389 158195439 /nfs/dbraw/zinc/19/54/39/158195439.db2.gz ACMNIERQISMTOR-MRXNPFEDSA-N 2 1 349.523 1.817 20 0 EDADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496156611 286910970 /nfs/dbraw/zinc/91/09/70/286910970.db2.gz ADNPZJPUSBSPRO-ARFHVFGLSA-N 2 1 340.512 1.658 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ccccc2)C(C)(C)CO)CC1 ZINC000352355864 162137649 /nfs/dbraw/zinc/13/76/49/162137649.db2.gz FIAVQTLYKXEJBZ-GOSISDBHSA-N 2 1 333.476 1.500 20 0 EDADMP CC[NH+](CC)CC1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000352392799 162159183 /nfs/dbraw/zinc/15/91/83/162159183.db2.gz WNVGRDOLJFCJIM-UHFFFAOYSA-N 2 1 333.480 1.871 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3CC[NH3+])CC2)c1 ZINC000352496638 162212345 /nfs/dbraw/zinc/21/23/45/162212345.db2.gz XVDUOFNGTXPMJF-GOSISDBHSA-N 2 1 344.503 1.847 20 0 EDADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3CCCC[C@@H]3CC[NH3+])CC2)c1 ZINC000352496638 162212349 /nfs/dbraw/zinc/21/23/49/162212349.db2.gz XVDUOFNGTXPMJF-GOSISDBHSA-N 2 1 344.503 1.847 20 0 EDADMP FC(F)COc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352541527 162240482 /nfs/dbraw/zinc/24/04/82/162240482.db2.gz YWFWUIHMBQHLDN-HNNXBMFYSA-N 2 1 325.403 1.810 20 0 EDADMP CSc1ccc([C@H](CNC(=O)NCC(F)(F)C[NH3+])[NH+](C)C)cc1 ZINC000418229384 304467224 /nfs/dbraw/zinc/46/72/24/304467224.db2.gz GTADFKCZTYHWHO-ZDUSSCGKSA-N 2 1 346.447 1.904 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000074134189 287268404 /nfs/dbraw/zinc/26/84/04/287268404.db2.gz HPHSFADKFYZGBF-SJORKVTESA-N 2 1 339.528 1.138 20 0 EDADMP CC(C)C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000080642981 287308205 /nfs/dbraw/zinc/30/82/05/287308205.db2.gz GHDZOIQDIZOPIY-QZTJIDSGSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000080642981 287308206 /nfs/dbraw/zinc/30/82/06/287308206.db2.gz GHDZOIQDIZOPIY-QZTJIDSGSA-N 2 1 339.524 1.827 20 0 EDADMP CC(C)C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000080642981 287308207 /nfs/dbraw/zinc/30/82/07/287308207.db2.gz GHDZOIQDIZOPIY-QZTJIDSGSA-N 2 1 339.524 1.827 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C[C@@H]1C ZINC000168027272 226205913 /nfs/dbraw/zinc/20/59/13/226205913.db2.gz MWXYSIAHXLHFDZ-KRWDZBQOSA-N 2 1 345.487 1.487 20 0 EDADMP COCC[N@H+]1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C[C@@H]1C ZINC000168027272 226205916 /nfs/dbraw/zinc/20/59/16/226205916.db2.gz MWXYSIAHXLHFDZ-KRWDZBQOSA-N 2 1 345.487 1.487 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](CO)[C@H]1C ZINC000665763575 452345847 /nfs/dbraw/zinc/34/58/47/452345847.db2.gz GBUMOMVRMFKDGQ-XHSDSOJGSA-N 2 1 328.501 1.061 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](CO)[C@H]1C ZINC000665763575 452345863 /nfs/dbraw/zinc/34/58/63/452345863.db2.gz GBUMOMVRMFKDGQ-XHSDSOJGSA-N 2 1 328.501 1.061 20 0 EDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CCC[NH2+]C)cc2)CC1 ZINC000236868561 267919411 /nfs/dbraw/zinc/91/94/11/267919411.db2.gz QLLJRIVHSMRSOO-UHFFFAOYSA-N 2 1 346.475 1.331 20 0 EDADMP CC(C)[C@@H](CCO)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274584828 268163602 /nfs/dbraw/zinc/16/36/02/268163602.db2.gz GAZGONCUSKCNTG-QXAKKESOSA-N 2 1 347.503 1.762 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC000274865407 268226007 /nfs/dbraw/zinc/22/60/07/268226007.db2.gz VOPLYYJENHKNJJ-DOTOQJQBSA-N 2 1 344.459 1.429 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC000274865407 268226009 /nfs/dbraw/zinc/22/60/09/268226009.db2.gz VOPLYYJENHKNJJ-DOTOQJQBSA-N 2 1 344.459 1.429 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972302 268253931 /nfs/dbraw/zinc/25/39/31/268253931.db2.gz YDUWKSKMNHERGR-YSIASYRMSA-N 2 1 330.520 1.732 20 0 EDADMP C[C@H](NC[C@@H]1C[N@H+](C)CCN1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274972302 268253934 /nfs/dbraw/zinc/25/39/34/268253934.db2.gz YDUWKSKMNHERGR-YSIASYRMSA-N 2 1 330.520 1.732 20 0 EDADMP C[C@H](NC[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274972302 268253935 /nfs/dbraw/zinc/25/39/35/268253935.db2.gz YDUWKSKMNHERGR-YSIASYRMSA-N 2 1 330.520 1.732 20 0 EDADMP C[C@H](NC[C@@H]1C[NH+](C)CCN1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972302 268253937 /nfs/dbraw/zinc/25/39/37/268253937.db2.gz YDUWKSKMNHERGR-YSIASYRMSA-N 2 1 330.520 1.732 20 0 EDADMP C[C@H](NC[C@@H]1C[NH+](C)CCN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972302 268253938 /nfs/dbraw/zinc/25/39/38/268253938.db2.gz YDUWKSKMNHERGR-YSIASYRMSA-N 2 1 330.520 1.732 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@@H]32)CC1 ZINC000362483592 276150293 /nfs/dbraw/zinc/15/02/93/276150293.db2.gz IXOSETJQHYLDFS-HOTGVXAUSA-N 2 1 325.522 1.947 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)C1 ZINC000366173253 276392049 /nfs/dbraw/zinc/39/20/49/276392049.db2.gz LWQOUFZJYPCXAJ-YOEHRIQHSA-N 2 1 333.432 1.063 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)C1 ZINC000366173253 276392051 /nfs/dbraw/zinc/39/20/51/276392051.db2.gz LWQOUFZJYPCXAJ-YOEHRIQHSA-N 2 1 333.432 1.063 20 0 EDADMP CC(C)(C[N@@H+]1CCn2ccnc2C1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000378511827 277299448 /nfs/dbraw/zinc/29/94/48/277299448.db2.gz CFTGAXZUQSTFED-UHFFFAOYSA-N 2 1 345.491 1.468 20 0 EDADMP CC(C)(C[N@H+]1CCn2ccnc2C1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000378511827 277299449 /nfs/dbraw/zinc/29/94/49/277299449.db2.gz CFTGAXZUQSTFED-UHFFFAOYSA-N 2 1 345.491 1.468 20 0 EDADMP CC(C)CN(C(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)C(C)C ZINC000171589095 277369146 /nfs/dbraw/zinc/36/91/46/277369146.db2.gz UCNCJDNPUWSMAK-KRWDZBQOSA-N 2 1 341.540 1.904 20 0 EDADMP CC(C)C[N@H+]1CCCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000368988446 277389639 /nfs/dbraw/zinc/38/96/39/277389639.db2.gz FCBIAGWWESWIQS-MRXNPFEDSA-N 2 1 333.480 1.612 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000369046800 278202693 /nfs/dbraw/zinc/20/26/93/278202693.db2.gz ITDBDANJKBFKQZ-HLLBOEOZSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000344505767 278464961 /nfs/dbraw/zinc/46/49/61/278464961.db2.gz XQGBZQMEWLXGQS-LAVFITLUSA-N 2 1 333.480 1.851 20 0 EDADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263197121 278831979 /nfs/dbraw/zinc/83/19/79/278831979.db2.gz IONUWDDQYMDAOR-MAUKXSAKSA-N 2 1 338.496 1.001 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000355142399 279302703 /nfs/dbraw/zinc/30/27/03/279302703.db2.gz WESRBSMLKYBYKU-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](CCCOC)CC1 ZINC000369852104 279309931 /nfs/dbraw/zinc/30/99/31/279309931.db2.gz PDRIHBVZJGPXTP-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@H+](CCCOC)CC1 ZINC000369852104 279309933 /nfs/dbraw/zinc/30/99/33/279309933.db2.gz PDRIHBVZJGPXTP-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000369852104 279309934 /nfs/dbraw/zinc/30/99/34/279309934.db2.gz PDRIHBVZJGPXTP-MRXNPFEDSA-N 2 1 326.485 1.225 20 0 EDADMP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000458433284 279354247 /nfs/dbraw/zinc/35/42/47/279354247.db2.gz IXMABPKUXJOMBW-CVEARBPZSA-N 2 1 339.528 1.184 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000458433284 279354249 /nfs/dbraw/zinc/35/42/49/279354249.db2.gz IXMABPKUXJOMBW-CVEARBPZSA-N 2 1 339.528 1.184 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000458433284 279354250 /nfs/dbraw/zinc/35/42/50/279354250.db2.gz IXMABPKUXJOMBW-CVEARBPZSA-N 2 1 339.528 1.184 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000339547859 288129250 /nfs/dbraw/zinc/12/92/50/288129250.db2.gz VOVRBHZETIOGGA-UWWQBHOKSA-N 2 1 334.508 1.842 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[NH+](CC(C)(C)O)CC1 ZINC000364644242 280098664 /nfs/dbraw/zinc/09/86/64/280098664.db2.gz ZHKUNEUPFZSQPB-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364644242 280098667 /nfs/dbraw/zinc/09/86/67/280098667.db2.gz ZHKUNEUPFZSQPB-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000364644242 280098669 /nfs/dbraw/zinc/09/86/69/280098669.db2.gz ZHKUNEUPFZSQPB-OAHLLOKOSA-N 2 1 328.501 1.205 20 0 EDADMP CC[C@@H](CNC(=O)NC[C@H]([NH3+])C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000417024319 280142854 /nfs/dbraw/zinc/14/28/54/280142854.db2.gz XADZQJKXMRBNTR-ROUUACIJSA-N 2 1 330.476 1.860 20 0 EDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000236603707 280281148 /nfs/dbraw/zinc/28/11/48/280281148.db2.gz CSCLHGRTLFOTSL-RTBURBONSA-N 2 1 346.519 1.807 20 0 EDADMP CC[C@H](C)[N@@H+](CCO)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000287586261 288271474 /nfs/dbraw/zinc/27/14/74/288271474.db2.gz YDFVAXBKDGHHGF-INIZCTEOSA-N 2 1 334.464 1.213 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000247134520 281057482 /nfs/dbraw/zinc/05/74/82/281057482.db2.gz JNBQQVVDKFJUMV-SJORKVTESA-N 2 1 339.528 1.186 20 0 EDADMP C[C@H]1[C@H](NC(=O)N2CCC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000287888874 288348409 /nfs/dbraw/zinc/34/84/09/288348409.db2.gz BWCVBGZJFTYFMX-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1[C@H](NC(=O)N2CCC[N@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000287888874 288348413 /nfs/dbraw/zinc/34/84/13/288348413.db2.gz BWCVBGZJFTYFMX-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@H]1[C@H](NC(=O)N2CCC[N@@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000287888874 288348416 /nfs/dbraw/zinc/34/84/16/288348416.db2.gz BWCVBGZJFTYFMX-FUHWJXTLSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CCC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000287888876 288348646 /nfs/dbraw/zinc/34/86/46/288348646.db2.gz BWCVBGZJFTYFMX-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CCC[N@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000287888876 288348648 /nfs/dbraw/zinc/34/86/48/288348648.db2.gz BWCVBGZJFTYFMX-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CCC[N@@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000287888876 288348649 /nfs/dbraw/zinc/34/86/49/288348649.db2.gz BWCVBGZJFTYFMX-SJLPKXTDSA-N 2 1 330.476 1.997 20 0 EDADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000287952682 288365339 /nfs/dbraw/zinc/36/53/39/288365339.db2.gz HAAQOBYEDWQHRJ-RYQLBKOJSA-N 2 1 348.491 1.119 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000288031065 288385595 /nfs/dbraw/zinc/38/55/95/288385595.db2.gz TVLBANHPJVYXQX-MRXNPFEDSA-N 2 1 349.479 1.079 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000288031065 288385597 /nfs/dbraw/zinc/38/55/97/288385597.db2.gz TVLBANHPJVYXQX-MRXNPFEDSA-N 2 1 349.479 1.079 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000288042745 288388941 /nfs/dbraw/zinc/38/89/41/288388941.db2.gz MLYLTLGOWRSQHX-NJAFHUGGSA-N 2 1 330.476 1.995 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC[NH+](C)CC1 ZINC000372193460 289304163 /nfs/dbraw/zinc/30/41/63/289304163.db2.gz VAXFTKXCGHYODG-RYRKJORJSA-N 2 1 334.508 1.098 20 0 EDADMP C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC[NH+](C)CC1 ZINC000372193460 289304167 /nfs/dbraw/zinc/30/41/67/289304167.db2.gz VAXFTKXCGHYODG-RYRKJORJSA-N 2 1 334.508 1.098 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000356135425 295384773 /nfs/dbraw/zinc/38/47/73/295384773.db2.gz VJASIXXVHFBZMB-RDTXWAMCSA-N 2 1 349.475 1.246 20 0 EDADMP C[C@H](C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C1C[NH2+]C1 ZINC000367649306 298150557 /nfs/dbraw/zinc/15/05/57/298150557.db2.gz RNOPAPJOSQYMFS-HNNXBMFYSA-N 2 1 337.508 1.772 20 0 EDADMP C[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000418133041 300321200 /nfs/dbraw/zinc/32/12/00/300321200.db2.gz FNMOPFIMSFTSJY-YJBOKZPZSA-N 2 1 330.476 1.900 20 0 EDADMP Cc1noc(C2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)n1 ZINC000420326307 304751937 /nfs/dbraw/zinc/75/19/37/304751937.db2.gz XEZOKOAPNSFHKC-IRXDYDNUSA-N 2 1 330.432 1.488 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414754229 447322717 /nfs/dbraw/zinc/32/27/17/447322717.db2.gz NQKMVOWARHEGMI-QLFBSQMISA-N 2 1 346.475 1.566 20 0 EDADMP O=CN1CCCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000294298777 303088704 /nfs/dbraw/zinc/08/87/04/303088704.db2.gz UXEPKYHGZIPHLW-LJQANCHMSA-N 2 1 331.460 1.442 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000295632332 303244956 /nfs/dbraw/zinc/24/49/56/303244956.db2.gz HRSNGMKPXVSTMH-GDBMZVCRSA-N 2 1 349.475 1.782 20 0 EDADMP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000295632332 303244957 /nfs/dbraw/zinc/24/49/57/303244957.db2.gz HRSNGMKPXVSTMH-GDBMZVCRSA-N 2 1 349.475 1.782 20 0 EDADMP N[C@H]1CCCCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422720170 304879057 /nfs/dbraw/zinc/87/90/57/304879057.db2.gz SCOFBQMUBDZBPF-ZWKOTPCHSA-N 2 1 346.523 1.628 20 0 EDADMP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2c[nH+]ccc2N)ncn1 ZINC000422963048 304881283 /nfs/dbraw/zinc/88/12/83/304881283.db2.gz FGNSYMPKVLMVOR-QWHCGFSZSA-N 2 1 327.436 1.645 20 0 EDADMP O=C1NCCc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cc21 ZINC000423034513 304883774 /nfs/dbraw/zinc/88/37/74/304883774.db2.gz HXGSWGISQACLQI-KBAYOESNSA-N 2 1 329.444 1.219 20 0 EDADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000423109183 304886584 /nfs/dbraw/zinc/88/65/84/304886584.db2.gz UIDFMLCAIVAHTF-KGLIPLIRSA-N 2 1 347.431 1.493 20 0 EDADMP COC[C@@]1(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC[NH2+]C1 ZINC000423425101 304895441 /nfs/dbraw/zinc/89/54/41/304895441.db2.gz GOPZBJSRUIWRLK-IFXJQAMLSA-N 2 1 342.443 1.984 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000423433992 304896180 /nfs/dbraw/zinc/89/61/80/304896180.db2.gz NOCGMOCWNVFZMG-GPANFISMSA-N 2 1 339.480 1.236 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424018541 304925526 /nfs/dbraw/zinc/92/55/26/304925526.db2.gz JQASDWSMTDUEJV-ROUUACIJSA-N 2 1 344.503 1.484 20 0 EDADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1)C1CC1 ZINC000428493099 305009986 /nfs/dbraw/zinc/00/99/86/305009986.db2.gz IIZUMZYFKNWNQM-INIZCTEOSA-N 2 1 345.487 1.810 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1)C1CC1 ZINC000428493099 305009987 /nfs/dbraw/zinc/00/99/87/305009987.db2.gz IIZUMZYFKNWNQM-INIZCTEOSA-N 2 1 345.487 1.810 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000429541886 305031531 /nfs/dbraw/zinc/03/15/31/305031531.db2.gz PPOZUTRLJGEUDS-ZWKOTPCHSA-N 2 1 336.476 1.989 20 0 EDADMP C[C@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1C[NH3+] ZINC000430546005 305056042 /nfs/dbraw/zinc/05/60/42/305056042.db2.gz CDQILYAHBNPHPJ-HKUYNNGSSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430567520 305056164 /nfs/dbraw/zinc/05/61/64/305056164.db2.gz DTTULEONOOLQGI-LZWOXQAQSA-N 2 1 332.448 1.460 20 0 EDADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430567520 305056165 /nfs/dbraw/zinc/05/61/65/305056165.db2.gz DTTULEONOOLQGI-LZWOXQAQSA-N 2 1 332.448 1.460 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430581875 305057070 /nfs/dbraw/zinc/05/70/70/305057070.db2.gz IJSSMTRUHQVWMT-GOEBONIOSA-N 2 1 332.448 1.462 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1F ZINC000430618477 305059327 /nfs/dbraw/zinc/05/93/27/305059327.db2.gz UPVSFAIHIFSTCC-HIFRSBDPSA-N 2 1 337.439 1.852 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)cc1F ZINC000430618477 305059328 /nfs/dbraw/zinc/05/93/28/305059328.db2.gz UPVSFAIHIFSTCC-HIFRSBDPSA-N 2 1 337.439 1.852 20 0 EDADMP O=C([C@H]1CCC[N@@H+](CCSc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430621820 305059641 /nfs/dbraw/zinc/05/96/41/305059641.db2.gz KJGPUSVTMJIIGV-INIZCTEOSA-N 2 1 333.501 1.923 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000430639928 305060781 /nfs/dbraw/zinc/06/07/81/305060781.db2.gz QFAJNNZECXFXEL-AWEZNQCLSA-N 2 1 339.867 1.896 20 0 EDADMP C[NH2+][C@H]1CCN(CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000430655122 305061579 /nfs/dbraw/zinc/06/15/79/305061579.db2.gz RDDLFXXQRALKAJ-IBGZPJMESA-N 2 1 344.503 1.323 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000430907309 305067454 /nfs/dbraw/zinc/06/74/54/305067454.db2.gz CNKUVPIARHQDBH-MJGOQNOKSA-N 2 1 333.476 1.812 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000432852872 305096093 /nfs/dbraw/zinc/09/60/93/305096093.db2.gz RVVMYHDEAINPEQ-OAHLLOKOSA-N 2 1 337.489 1.511 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](CCO)[C@@H]2CCCSC2)CC1 ZINC000433193077 305102760 /nfs/dbraw/zinc/10/27/60/305102760.db2.gz OIWMMZCFLCLWNI-QGZVFWFLSA-N 2 1 329.554 1.592 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433328572 305106011 /nfs/dbraw/zinc/10/60/11/305106011.db2.gz AMVLZWYMXZTNHB-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433328572 305106012 /nfs/dbraw/zinc/10/60/12/305106012.db2.gz AMVLZWYMXZTNHB-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433328572 305106013 /nfs/dbraw/zinc/10/60/13/305106013.db2.gz AMVLZWYMXZTNHB-DLBZAZTESA-N 2 1 340.512 1.661 20 0 EDADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)o1 ZINC000435376917 305139229 /nfs/dbraw/zinc/13/92/29/305139229.db2.gz WEBGDBVVCJOKOP-HNNXBMFYSA-N 2 1 343.431 1.374 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000435374489 305139234 /nfs/dbraw/zinc/13/92/34/305139234.db2.gz JCAIAJRAXLKQGD-NVXWUHKLSA-N 2 1 331.460 1.857 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000435374489 305139235 /nfs/dbraw/zinc/13/92/35/305139235.db2.gz JCAIAJRAXLKQGD-NVXWUHKLSA-N 2 1 331.460 1.857 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000435380883 305139548 /nfs/dbraw/zinc/13/95/48/305139548.db2.gz UFKWWBIYAPFFEU-UHFFFAOYSA-N 2 1 337.464 1.627 20 0 EDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000435387323 305139583 /nfs/dbraw/zinc/13/95/83/305139583.db2.gz ZMBQCLXUJXQTNN-MRXNPFEDSA-N 2 1 331.460 1.633 20 0 EDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000435387323 305139584 /nfs/dbraw/zinc/13/95/84/305139584.db2.gz ZMBQCLXUJXQTNN-MRXNPFEDSA-N 2 1 331.460 1.633 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[NH2+][C@@H](C)[C@@H]2C)CC1 ZINC000436063053 305151929 /nfs/dbraw/zinc/15/19/29/305151929.db2.gz SSSOYYCHAZJIRN-ROUUACIJSA-N 2 1 344.503 1.321 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[NH2+][C@H](C)[C@H]2C)CC1 ZINC000436063052 305152004 /nfs/dbraw/zinc/15/20/04/305152004.db2.gz SSSOYYCHAZJIRN-QZTJIDSGSA-N 2 1 344.503 1.321 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)[nH+]c1 ZINC000436290340 305155479 /nfs/dbraw/zinc/15/54/79/305155479.db2.gz ICQYWLBHWMHJAR-DNVCBOLYSA-N 2 1 328.460 1.865 20 0 EDADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cn1 ZINC000436401552 305156765 /nfs/dbraw/zinc/15/67/65/305156765.db2.gz QIHVJSRVJKTTSV-GOSISDBHSA-N 2 1 327.428 1.947 20 0 EDADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1)C1CC1 ZINC000444381719 305247869 /nfs/dbraw/zinc/24/78/69/305247869.db2.gz IIZUMZYFKNWNQM-MRXNPFEDSA-N 2 1 345.487 1.810 20 0 EDADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1)C1CC1 ZINC000444381719 305247870 /nfs/dbraw/zinc/24/78/70/305247870.db2.gz IIZUMZYFKNWNQM-MRXNPFEDSA-N 2 1 345.487 1.810 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000445623722 305259321 /nfs/dbraw/zinc/25/93/21/305259321.db2.gz LXBVOHYYRIDHIG-INIZCTEOSA-N 2 1 346.475 1.330 20 0 EDADMP Cc1cccc(NCCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)[nH+]1 ZINC000446378921 305264207 /nfs/dbraw/zinc/26/42/07/305264207.db2.gz XRPHVEVEFRELCK-QIIPPGSGSA-N 2 1 332.448 1.451 20 0 EDADMP C[N@@H+]1CCN(C(=O)COC2CCC([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000449074460 305305711 /nfs/dbraw/zinc/30/57/11/305305711.db2.gz PEGLONPIYLFJJO-ABHNRTSZSA-N 2 1 331.460 1.788 20 0 EDADMP C[N@H+]1CCN(C(=O)COC2CCC([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000449074460 305305712 /nfs/dbraw/zinc/30/57/12/305305712.db2.gz PEGLONPIYLFJJO-ABHNRTSZSA-N 2 1 331.460 1.788 20 0 EDADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000449097265 305306386 /nfs/dbraw/zinc/30/63/86/305306386.db2.gz CRFNRXJITHKPGD-FHERZECASA-N 2 1 325.497 1.900 20 0 EDADMP CC[N@@H+](CCO)CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449246575 305309551 /nfs/dbraw/zinc/30/95/51/305309551.db2.gz CGAICSBSHBMJOI-GOSISDBHSA-N 2 1 333.520 1.986 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC(C)(C)CO ZINC000451247935 305335244 /nfs/dbraw/zinc/33/52/44/305335244.db2.gz CINCNHRIFCRGQD-SJLPKXTDSA-N 2 1 347.503 1.716 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)CO ZINC000451247935 305335245 /nfs/dbraw/zinc/33/52/45/305335245.db2.gz CINCNHRIFCRGQD-SJLPKXTDSA-N 2 1 347.503 1.716 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)CO ZINC000451247935 305335246 /nfs/dbraw/zinc/33/52/46/305335246.db2.gz CINCNHRIFCRGQD-SJLPKXTDSA-N 2 1 347.503 1.716 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000452361294 305392567 /nfs/dbraw/zinc/39/25/67/305392567.db2.gz JWZLIRXUOJEQKX-MSOLQXFVSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000452361294 305392568 /nfs/dbraw/zinc/39/25/68/305392568.db2.gz JWZLIRXUOJEQKX-MSOLQXFVSA-N 2 1 337.508 1.747 20 0 EDADMP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000452361294 305392569 /nfs/dbraw/zinc/39/25/69/305392569.db2.gz JWZLIRXUOJEQKX-MSOLQXFVSA-N 2 1 337.508 1.747 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000377791473 447357425 /nfs/dbraw/zinc/35/74/25/447357425.db2.gz FNAUSFFVGAEGTC-IAGOWNOFSA-N 2 1 339.528 1.138 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000377791473 447357434 /nfs/dbraw/zinc/35/74/34/447357434.db2.gz FNAUSFFVGAEGTC-IAGOWNOFSA-N 2 1 339.528 1.138 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C)(c3nc(C)no3)CC2)CC1 ZINC000542824662 306059153 /nfs/dbraw/zinc/05/91/53/306059153.db2.gz ZWKHYNDONZGDMB-UHFFFAOYSA-N 2 1 349.479 1.332 20 0 EDADMP CC(C)[NH2+]CCC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000553981927 306188429 /nfs/dbraw/zinc/18/84/29/306188429.db2.gz VPDLHZFSEPQVPG-LJQANCHMSA-N 2 1 346.519 1.870 20 0 EDADMP CC(C)[NH2+]CCC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000553981927 306188430 /nfs/dbraw/zinc/18/84/30/306188430.db2.gz VPDLHZFSEPQVPG-LJQANCHMSA-N 2 1 346.519 1.870 20 0 EDADMP CC(C)[NH2+]CCC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000553981927 306188431 /nfs/dbraw/zinc/18/84/31/306188431.db2.gz VPDLHZFSEPQVPG-LJQANCHMSA-N 2 1 346.519 1.870 20 0 EDADMP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000556686462 306213926 /nfs/dbraw/zinc/21/39/26/306213926.db2.gz LQGFNHWGJJEHSA-KRWDZBQOSA-N 2 1 338.540 1.591 20 0 EDADMP CN(CC1CCCCC1)C(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000557338738 306227521 /nfs/dbraw/zinc/22/75/21/306227521.db2.gz AHXSCHDQQBWWAM-QGZVFWFLSA-N 2 1 348.495 1.412 20 0 EDADMP CN(CC1CCCCC1)C(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000557338738 306227522 /nfs/dbraw/zinc/22/75/22/306227522.db2.gz AHXSCHDQQBWWAM-QGZVFWFLSA-N 2 1 348.495 1.412 20 0 EDADMP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000557562474 306229462 /nfs/dbraw/zinc/22/94/62/306229462.db2.gz ICEVOUJHGDBUFR-INIZCTEOSA-N 2 1 331.460 1.842 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000557562474 306229463 /nfs/dbraw/zinc/22/94/63/306229463.db2.gz ICEVOUJHGDBUFR-INIZCTEOSA-N 2 1 331.460 1.842 20 0 EDADMP COC[C@@]1(C[NH2+][C@@H](C)CC(=O)Nc2cccc(OC)c2)CCC[NH2+]1 ZINC000414948779 447368989 /nfs/dbraw/zinc/36/89/89/447368989.db2.gz XZFQZOBJKKGLNW-KSSFIOAISA-N 2 1 335.448 1.771 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000414946920 447369439 /nfs/dbraw/zinc/36/94/39/447369439.db2.gz UYWBDIUZWKOOQV-CZUORRHYSA-N 2 1 344.459 1.476 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000414951716 447370205 /nfs/dbraw/zinc/37/02/05/447370205.db2.gz HBQMZCWJCILEJR-BFQNTYOBSA-N 2 1 330.432 1.244 20 0 EDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000426026970 447381728 /nfs/dbraw/zinc/38/17/28/447381728.db2.gz DYIFIPKBMGKXNH-DZGCQCFKSA-N 2 1 331.526 1.509 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000426026970 447381730 /nfs/dbraw/zinc/38/17/30/447381730.db2.gz DYIFIPKBMGKXNH-DZGCQCFKSA-N 2 1 331.526 1.509 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000449708163 447388177 /nfs/dbraw/zinc/38/81/77/447388177.db2.gz UFZVJBWPKJVVOG-DLBZAZTESA-N 2 1 331.460 1.392 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000449708163 447388180 /nfs/dbraw/zinc/38/81/80/447388180.db2.gz UFZVJBWPKJVVOG-DLBZAZTESA-N 2 1 331.460 1.392 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCSC3)CC2)CC1 ZINC000422179810 447390450 /nfs/dbraw/zinc/39/04/50/447390450.db2.gz LNLQBJHAXRFVDT-HNNXBMFYSA-N 2 1 340.537 1.694 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCSC3)CC2)CC1 ZINC000422179810 447390454 /nfs/dbraw/zinc/39/04/54/447390454.db2.gz LNLQBJHAXRFVDT-HNNXBMFYSA-N 2 1 340.537 1.694 20 0 EDADMP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)C(C)(C)C[NH+](C)C ZINC000458509069 447393866 /nfs/dbraw/zinc/39/38/66/447393866.db2.gz HVSJCXKJJNMYOJ-LSDHHAIUSA-N 2 1 328.501 1.109 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)c2C1 ZINC000415430361 447431652 /nfs/dbraw/zinc/43/16/52/447431652.db2.gz QYAFILMYUAKJKI-HNNXBMFYSA-N 2 1 346.475 1.840 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)c2C1 ZINC000415430361 447431663 /nfs/dbraw/zinc/43/16/63/447431663.db2.gz QYAFILMYUAKJKI-HNNXBMFYSA-N 2 1 346.475 1.840 20 0 EDADMP CC(C)C[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000105104309 441233482 /nfs/dbraw/zinc/23/34/82/441233482.db2.gz NDPLBSPDUNHUHA-IAGOWNOFSA-N 2 1 340.512 1.469 20 0 EDADMP COc1cc[nH+]c(N2CCN(C(=O)NC[C@H](C)[N@@H+](C)C3CC3)CC2)c1 ZINC000105263354 441244849 /nfs/dbraw/zinc/24/48/49/441244849.db2.gz RUQRZDRTPTTZRB-AWEZNQCLSA-N 2 1 347.463 1.405 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C[NH+]1CCCC1 ZINC000072987544 441283379 /nfs/dbraw/zinc/28/33/79/441283379.db2.gz KXFAHRCCIUTIDS-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)C[NH+]1CCCC1 ZINC000072987544 441283381 /nfs/dbraw/zinc/28/33/81/441283381.db2.gz KXFAHRCCIUTIDS-SJLPKXTDSA-N 2 1 330.476 1.894 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)n1C ZINC000083738182 441372854 /nfs/dbraw/zinc/37/28/54/441372854.db2.gz RMFDAPKKVWDHAZ-UHFFFAOYSA-N 2 1 334.468 1.256 20 0 EDADMP CC[NH+]1CCC(NC(=O)NCc2cccnc2-n2cc[nH+]c2C)CC1 ZINC000054607784 441587177 /nfs/dbraw/zinc/58/71/77/441587177.db2.gz CTBPOBNNOZNSJK-UHFFFAOYSA-N 2 1 342.447 1.859 20 0 EDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000113515341 441613344 /nfs/dbraw/zinc/61/33/44/441613344.db2.gz SXJLMJUJRZHQQG-INIZCTEOSA-N 2 1 332.448 1.286 20 0 EDADMP C[NH+](C)CCC1CC[NH+](CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000121629597 441747198 /nfs/dbraw/zinc/74/71/98/441747198.db2.gz ZFTZMFRKJKOEPL-UHFFFAOYSA-N 2 1 344.459 1.635 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000137177976 441753857 /nfs/dbraw/zinc/75/38/57/441753857.db2.gz ZZCXCEUERFHDQO-SJORKVTESA-N 2 1 337.508 1.629 20 0 EDADMP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000077817481 441867765 /nfs/dbraw/zinc/86/77/65/441867765.db2.gz HPAPJBUEQZNRKN-MRXNPFEDSA-N 2 1 346.475 1.535 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000139643321 441822437 /nfs/dbraw/zinc/82/24/37/441822437.db2.gz SIITVPSVEKTJIF-INIZCTEOSA-N 2 1 331.464 1.563 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000139643321 441822442 /nfs/dbraw/zinc/82/24/42/441822442.db2.gz SIITVPSVEKTJIF-INIZCTEOSA-N 2 1 331.464 1.563 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150834592 441959831 /nfs/dbraw/zinc/95/98/31/441959831.db2.gz MZCBMGAIPVHVCA-HNNXBMFYSA-N 2 1 344.459 1.532 20 0 EDADMP C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000175590304 442090785 /nfs/dbraw/zinc/09/07/85/442090785.db2.gz AUIWMDXPILWPGO-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP C[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000175590304 442090788 /nfs/dbraw/zinc/09/07/88/442090788.db2.gz AUIWMDXPILWPGO-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CC[C@@H](CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000175590304 442090790 /nfs/dbraw/zinc/09/07/90/442090790.db2.gz AUIWMDXPILWPGO-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP C[NH+]1CC[C@@H](CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000175590304 442090794 /nfs/dbraw/zinc/09/07/94/442090794.db2.gz AUIWMDXPILWPGO-ZWKOTPCHSA-N 2 1 331.460 1.345 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NCCC[NH+]2CCC(O)CC2)[C@H](C)C1 ZINC000151363412 442048658 /nfs/dbraw/zinc/04/86/58/442048658.db2.gz PBMJJRMFBIXOON-MJGOQNOKSA-N 2 1 341.540 1.560 20 0 EDADMP CC[N@@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)C1CC1 ZINC000151460156 442065977 /nfs/dbraw/zinc/06/59/77/442065977.db2.gz XWASZKYEMUQMGR-HUUCEWRRSA-N 2 1 346.475 1.796 20 0 EDADMP CCN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)C1CC1 ZINC000151460156 442065981 /nfs/dbraw/zinc/06/59/81/442065981.db2.gz XWASZKYEMUQMGR-HUUCEWRRSA-N 2 1 346.475 1.796 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000080049978 442110441 /nfs/dbraw/zinc/11/04/41/442110441.db2.gz LHCCWHLVEDCYGN-DLBZAZTESA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCN1CCOC(C)(C)C1 ZINC000176062898 442169768 /nfs/dbraw/zinc/16/97/68/442169768.db2.gz FNEIOFRXDAAXJO-GJZGRUSLSA-N 2 1 326.485 1.079 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000152212190 442182604 /nfs/dbraw/zinc/18/26/04/442182604.db2.gz TYUVNQMKGBCPER-QRVBRYPASA-N 2 1 339.524 1.672 20 0 EDADMP C[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000163368421 442160875 /nfs/dbraw/zinc/16/08/75/442160875.db2.gz KQVHYTDUWJKATP-MRXNPFEDSA-N 2 1 340.512 1.328 20 0 EDADMP CC(C)[NH2+]CCC(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000166762589 442218205 /nfs/dbraw/zinc/21/82/05/442218205.db2.gz LAMIXTGJXZVLFY-UHFFFAOYSA-N 2 1 346.475 1.791 20 0 EDADMP COc1cc(CNC(=O)C[N@@H+](C)C(C)C)ccc1OCC[NH+](C)C ZINC000170627981 442237931 /nfs/dbraw/zinc/23/79/31/442237931.db2.gz ISQPFBRBNLBNIR-UHFFFAOYSA-N 2 1 337.464 1.592 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 ZINC000152835775 442246523 /nfs/dbraw/zinc/24/65/23/442246523.db2.gz GCGNYRYUFFOOTJ-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000152835775 442246525 /nfs/dbraw/zinc/24/65/25/442246525.db2.gz GCGNYRYUFFOOTJ-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000152835775 442246527 /nfs/dbraw/zinc/24/65/27/442246527.db2.gz GCGNYRYUFFOOTJ-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000152835775 442246529 /nfs/dbraw/zinc/24/65/29/442246529.db2.gz GCGNYRYUFFOOTJ-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CCC[NH+](CC)CCNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000152835775 442246531 /nfs/dbraw/zinc/24/65/31/442246531.db2.gz GCGNYRYUFFOOTJ-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000128679511 442281809 /nfs/dbraw/zinc/28/18/09/442281809.db2.gz JJSGIJHUPPLJEC-UHFFFAOYSA-N 2 1 345.535 1.663 20 0 EDADMP C[NH+](C)CCN(Cc1ccco1)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000153696176 442296641 /nfs/dbraw/zinc/29/66/41/442296641.db2.gz MQAGWXBRMVPFKB-AWEZNQCLSA-N 2 1 325.478 1.607 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000171161340 442321508 /nfs/dbraw/zinc/32/15/08/442321508.db2.gz OUSYUEDAHXHFKY-UHFFFAOYSA-N 2 1 345.491 1.830 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000171189193 442324786 /nfs/dbraw/zinc/32/47/86/442324786.db2.gz JATROWNBJBENJG-MRXNPFEDSA-N 2 1 328.501 1.374 20 0 EDADMP CCC[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC000131089472 442364227 /nfs/dbraw/zinc/36/42/27/442364227.db2.gz RZHOINIAZXSIFV-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP CCC[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC000131089472 442364230 /nfs/dbraw/zinc/36/42/30/442364230.db2.gz RZHOINIAZXSIFV-KRWDZBQOSA-N 2 1 325.497 1.678 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000131377086 442371197 /nfs/dbraw/zinc/37/11/97/442371197.db2.gz WGVICJCJIGNRQD-SFHVURJKSA-N 2 1 333.476 1.715 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H](C)N2CCSCC2)CC[N@H+]1CCOC ZINC000131020086 442362717 /nfs/dbraw/zinc/36/27/17/442362717.db2.gz DONPICISJNKGRJ-HZPDHXFCSA-N 2 1 343.537 1.383 20 0 EDADMP CCC[C@@H]1CN(C(=O)[C@@H](C)N2CCSCC2)CCN1CCOC ZINC000131020086 442362718 /nfs/dbraw/zinc/36/27/18/442362718.db2.gz DONPICISJNKGRJ-HZPDHXFCSA-N 2 1 343.537 1.383 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000133628913 442426696 /nfs/dbraw/zinc/42/66/96/442426696.db2.gz YXTUEGHYLOQVKJ-FGTMMUONSA-N 3 1 346.523 1.307 20 0 EDADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000133628913 442426699 /nfs/dbraw/zinc/42/66/99/442426699.db2.gz YXTUEGHYLOQVKJ-FGTMMUONSA-N 3 1 346.523 1.307 20 0 EDADMP C[NH+](CCOCC[N@H+](C)CC1CCOCC1)CC1CCOCC1 ZINC000155895351 442435104 /nfs/dbraw/zinc/43/51/04/442435104.db2.gz GBIPPSWRAJLSKS-UHFFFAOYSA-N 2 1 328.497 1.720 20 0 EDADMP O[C@H](COC1CCOCC1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134883412 442532029 /nfs/dbraw/zinc/53/20/29/442532029.db2.gz MWTVKQCFBUEGPR-IEZWGBDMSA-N 2 1 338.492 1.492 20 0 EDADMP O[C@H](COC1CCOCC1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134883412 442532031 /nfs/dbraw/zinc/53/20/31/442532031.db2.gz MWTVKQCFBUEGPR-IEZWGBDMSA-N 2 1 338.492 1.492 20 0 EDADMP O[C@H](COC1CCOCC1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134883412 442532034 /nfs/dbraw/zinc/53/20/34/442532034.db2.gz MWTVKQCFBUEGPR-IEZWGBDMSA-N 2 1 338.492 1.492 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000179214796 442598372 /nfs/dbraw/zinc/59/83/72/442598372.db2.gz VEQNLAVHZRQWLQ-IEBWSBKVSA-N 2 1 344.503 1.390 20 0 EDADMP C[C@H]1CCC[C@](CNC(=O)NCC[N@H+]2CCCOCC2)([NH+](C)C)C1 ZINC000187013220 442645046 /nfs/dbraw/zinc/64/50/46/442645046.db2.gz ITLUJOCMLVKVPX-WMZOPIPTSA-N 2 1 340.512 1.518 20 0 EDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NC2CCCC2)[C@H](C)C1 ZINC000180732784 442653836 /nfs/dbraw/zinc/65/38/36/442653836.db2.gz YHGLLEYRHSJRDA-WBVHZDCISA-N 2 1 325.497 1.772 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NC2CCCC2)[C@H](C)C1 ZINC000180732784 442653839 /nfs/dbraw/zinc/65/38/39/442653839.db2.gz YHGLLEYRHSJRDA-WBVHZDCISA-N 2 1 325.497 1.772 20 0 EDADMP Cc1cc(N2CCC(NC(=O)C[NH+]3CCC(C)CC3)CC2)nc(C)[nH+]1 ZINC000136315997 442658896 /nfs/dbraw/zinc/65/88/96/442658896.db2.gz BJFDRDBBBIOPDE-UHFFFAOYSA-N 2 1 345.491 1.910 20 0 EDADMP CCOCCO[C@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192775990 442685543 /nfs/dbraw/zinc/68/55/43/442685543.db2.gz OXOXPKAZNRFUNH-SFHVURJKSA-N 2 1 327.513 1.530 20 0 EDADMP C[C@@H](CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000246514482 442788063 /nfs/dbraw/zinc/78/80/63/442788063.db2.gz VBCCSEDNHYBEEQ-RRFJBIMHSA-N 2 1 326.485 1.268 20 0 EDADMP CN(CC[N@@H+](C)C[C@H](O)CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000182577701 442790022 /nfs/dbraw/zinc/79/00/22/442790022.db2.gz FEIUHHSRWKHXIX-HXUWFJFHSA-N 2 1 333.520 1.938 20 0 EDADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)C[C@H](C)O1 ZINC000182666377 442803520 /nfs/dbraw/zinc/80/35/20/442803520.db2.gz JEMQHEXGJKSMKL-TWMKSMIVSA-N 2 1 346.537 1.821 20 0 EDADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)C[C@H](C)O1 ZINC000182666377 442803523 /nfs/dbraw/zinc/80/35/23/442803523.db2.gz JEMQHEXGJKSMKL-TWMKSMIVSA-N 2 1 346.537 1.821 20 0 EDADMP CC[NH+](CC)CCNC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000246361216 442775827 /nfs/dbraw/zinc/77/58/27/442775827.db2.gz FIHOPGGMPDTXEK-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000246400001 442778865 /nfs/dbraw/zinc/77/88/65/442778865.db2.gz LHIVYTGQKHXSBO-AEFFLSMTSA-N 2 1 339.524 1.874 20 0 EDADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCCC3)cc2C1 ZINC000193913370 442811215 /nfs/dbraw/zinc/81/12/15/442811215.db2.gz SDBKYTZRYPDYSO-UHFFFAOYSA-N 2 1 330.432 1.173 20 0 EDADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCCC3)cc2C1 ZINC000193913370 442811220 /nfs/dbraw/zinc/81/12/20/442811220.db2.gz SDBKYTZRYPDYSO-UHFFFAOYSA-N 2 1 330.432 1.173 20 0 EDADMP COc1cccc([C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)c1 ZINC000246869200 442819258 /nfs/dbraw/zinc/81/92/58/442819258.db2.gz GAIMXYPGHCHBJW-QZTJIDSGSA-N 2 1 347.459 1.279 20 0 EDADMP COc1cccc([C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)c1 ZINC000246869200 442819262 /nfs/dbraw/zinc/81/92/62/442819262.db2.gz GAIMXYPGHCHBJW-QZTJIDSGSA-N 2 1 347.459 1.279 20 0 EDADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000268036499 442825720 /nfs/dbraw/zinc/82/57/20/442825720.db2.gz WRONEBABZPALKR-SJLPKXTDSA-N 2 1 335.492 1.980 20 0 EDADMP COC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182882968 442841471 /nfs/dbraw/zinc/84/14/71/442841471.db2.gz QAVVHANPHKEICA-DYVFJYSZSA-N 2 1 327.419 1.878 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000268142442 442867503 /nfs/dbraw/zinc/86/75/03/442867503.db2.gz RIXRNOYOCWRZOP-DNVCBOLYSA-N 2 1 342.487 1.827 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000268142442 442867508 /nfs/dbraw/zinc/86/75/08/442867508.db2.gz RIXRNOYOCWRZOP-DNVCBOLYSA-N 2 1 342.487 1.827 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000268142442 442867512 /nfs/dbraw/zinc/86/75/12/442867512.db2.gz RIXRNOYOCWRZOP-DNVCBOLYSA-N 2 1 342.487 1.827 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000189173523 442891045 /nfs/dbraw/zinc/89/10/45/442891045.db2.gz HTHPWXAWDIWLDG-CPUCHLNUSA-N 2 1 340.489 1.271 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000189173523 442891047 /nfs/dbraw/zinc/89/10/47/442891047.db2.gz HTHPWXAWDIWLDG-CPUCHLNUSA-N 2 1 340.489 1.271 20 0 EDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000183226529 442907218 /nfs/dbraw/zinc/90/72/18/442907218.db2.gz IJQBRPBBMMAZND-SJORKVTESA-N 2 1 346.475 1.721 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000195125095 442985345 /nfs/dbraw/zinc/98/53/45/442985345.db2.gz LXQOAYVVUROTNS-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000195125095 442985346 /nfs/dbraw/zinc/98/53/46/442985346.db2.gz LXQOAYVVUROTNS-HOTGVXAUSA-N 2 1 326.485 1.127 20 0 EDADMP COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183685528 442952542 /nfs/dbraw/zinc/95/25/42/442952542.db2.gz QKYGVBRCIHKZIF-OLZOCXBDSA-N 2 1 344.415 1.509 20 0 EDADMP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)CC[C@H]1C ZINC000251994286 443021676 /nfs/dbraw/zinc/02/16/76/443021676.db2.gz WEGQKTXTSMUSSZ-BRWVUGGUSA-N 2 1 346.475 1.476 20 0 EDADMP C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000296389117 318691709 /nfs/dbraw/zinc/69/17/09/318691709.db2.gz KWAQCTYTYQRMHK-WMLDXEAASA-N 2 1 333.501 1.915 20 0 EDADMP COc1cccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)[NH+](C)C)c1 ZINC000249748143 443003173 /nfs/dbraw/zinc/00/31/73/443003173.db2.gz OIZOODXFTIYMKL-DOTOQJQBSA-N 2 1 334.464 1.691 20 0 EDADMP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000190153299 443064998 /nfs/dbraw/zinc/06/49/98/443064998.db2.gz BCVOFHBVQCGPQM-JKSUJKDBSA-N 2 1 331.460 1.900 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@H]1CSCN1)[N@H+]1CCc2ccccc2C1 ZINC000236688525 443144036 /nfs/dbraw/zinc/14/40/36/443144036.db2.gz WWPQSUDFWBMCPA-IAGOWNOFSA-N 2 1 333.501 1.848 20 0 EDADMP CC(C)[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000236688525 443144042 /nfs/dbraw/zinc/14/40/42/443144042.db2.gz WWPQSUDFWBMCPA-IAGOWNOFSA-N 2 1 333.501 1.848 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCSC[C@H](C)C2)C1 ZINC000190463450 443113913 /nfs/dbraw/zinc/11/39/13/443113913.db2.gz PEPCUPATXCNTOU-HZPDHXFCSA-N 2 1 343.537 1.144 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCSC[C@H](C)C2)C1 ZINC000190463450 443113918 /nfs/dbraw/zinc/11/39/18/443113918.db2.gz PEPCUPATXCNTOU-HZPDHXFCSA-N 2 1 343.537 1.144 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCSC[C@H](C)C2)C1 ZINC000190463450 443113919 /nfs/dbraw/zinc/11/39/19/443113919.db2.gz PEPCUPATXCNTOU-HZPDHXFCSA-N 2 1 343.537 1.144 20 0 EDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-n2cnnn2)cc1 ZINC000268843249 443124413 /nfs/dbraw/zinc/12/44/13/443124413.db2.gz NWHHAXIXPLPKPS-CQSZACIVSA-N 2 1 330.436 1.160 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000237348810 443169426 /nfs/dbraw/zinc/16/94/26/443169426.db2.gz XWPDFGVEMBZVAK-QAPCUYQASA-N 2 1 331.460 1.666 20 0 EDADMP C[NH+](C)C1(CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)Cc2ccccc2C1 ZINC000262041154 443181524 /nfs/dbraw/zinc/18/15/24/443181524.db2.gz YNSKAVOBNMBXBM-VAMGGRTRSA-N 2 1 343.515 1.832 20 0 EDADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC[N@H+]1C ZINC000269055319 443185180 /nfs/dbraw/zinc/18/51/80/443185180.db2.gz SAGYKBCQJZRQQK-VBSBHUPXSA-N 3 1 331.504 1.942 20 0 EDADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC[NH+]1C ZINC000269055319 443185182 /nfs/dbraw/zinc/18/51/82/443185182.db2.gz SAGYKBCQJZRQQK-VBSBHUPXSA-N 3 1 331.504 1.942 20 0 EDADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC[NH+]1C ZINC000269055319 443185184 /nfs/dbraw/zinc/18/51/84/443185184.db2.gz SAGYKBCQJZRQQK-VBSBHUPXSA-N 3 1 331.504 1.942 20 0 EDADMP Cn1cc[nH+]c1C[C@@H]1CCCN(Cc2nnnn2CC(F)(F)F)C1 ZINC000191013392 443225488 /nfs/dbraw/zinc/22/54/88/443225488.db2.gz BQDWWHKJSWQADU-NSHDSACASA-N 2 1 343.357 1.424 20 0 EDADMP C[C@@H]([NH2+]CC(=O)NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694311 443239999 /nfs/dbraw/zinc/23/99/99/443239999.db2.gz QNSHANRNWUDQJJ-NVXWUHKLSA-N 2 1 330.476 1.940 20 0 EDADMP C[C@@H]([NH2+]CC(=O)NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185694311 443240000 /nfs/dbraw/zinc/24/00/00/443240000.db2.gz QNSHANRNWUDQJJ-NVXWUHKLSA-N 2 1 330.476 1.940 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262854023 443215020 /nfs/dbraw/zinc/21/50/20/443215020.db2.gz VRGGJPUIFBRGTQ-OAGGEKHMSA-N 2 1 333.480 1.658 20 0 EDADMP C[C@H]([NH3+])CCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262861445 443215906 /nfs/dbraw/zinc/21/59/06/443215906.db2.gz UECHFCZYKUYVMG-WMLDXEAASA-N 2 1 346.475 1.128 20 0 EDADMP COCCN(CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000382909635 319124798 /nfs/dbraw/zinc/12/47/98/319124798.db2.gz WMDASTKCCMTSSL-LSDHHAIUSA-N 2 1 329.485 1.800 20 0 EDADMP C[C@@H]1CCN(C(=O)COC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000382730399 319125190 /nfs/dbraw/zinc/12/51/90/319125190.db2.gz AIKJFFTZGKSUQF-QGZVFWFLSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000397465524 319134811 /nfs/dbraw/zinc/13/48/11/319134811.db2.gz STHBOBBNKRWUCF-KFWWJZLASA-N 2 1 329.444 1.978 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000413511785 319272862 /nfs/dbraw/zinc/27/28/62/319272862.db2.gz XCDONMIQIJFLQF-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000413511785 319272865 /nfs/dbraw/zinc/27/28/65/319272865.db2.gz XCDONMIQIJFLQF-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000413511785 319272868 /nfs/dbraw/zinc/27/28/68/319272868.db2.gz XCDONMIQIJFLQF-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP CC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C[C@H]1COc2ccccc2O1 ZINC000414673424 319339708 /nfs/dbraw/zinc/33/97/08/319339708.db2.gz CFYGZOCNXSXDCV-HOTGVXAUSA-N 2 1 347.459 1.346 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415243148 319356252 /nfs/dbraw/zinc/35/62/52/319356252.db2.gz VHQMYMKEDBZTIQ-CQSZACIVSA-N 2 1 334.464 1.581 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000415243253 319356412 /nfs/dbraw/zinc/35/64/12/319356412.db2.gz VUMHREWUQCVJGH-AWEZNQCLSA-N 2 1 334.464 1.580 20 0 EDADMP CCOCC[N@@H+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@@H]1C ZINC000416000399 319388885 /nfs/dbraw/zinc/38/88/85/319388885.db2.gz XZMJYLSQBLQQBH-NWDGAFQWSA-N 2 1 340.390 1.018 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@@H]1C ZINC000416000399 319388887 /nfs/dbraw/zinc/38/88/87/319388887.db2.gz XZMJYLSQBLQQBH-NWDGAFQWSA-N 2 1 340.390 1.018 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000246048266 443263840 /nfs/dbraw/zinc/26/38/40/443263840.db2.gz AOJRENWNFDJHPO-XMTFNYHQSA-N 2 1 339.524 1.874 20 0 EDADMP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)CS(=O)(=O)CC ZINC000191493486 443302198 /nfs/dbraw/zinc/30/21/98/443302198.db2.gz FVPCHNCAIPWGRL-KRWDZBQOSA-N 2 1 347.569 1.548 20 0 EDADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)CS(=O)(=O)CC ZINC000191493486 443302199 /nfs/dbraw/zinc/30/21/99/443302199.db2.gz FVPCHNCAIPWGRL-KRWDZBQOSA-N 2 1 347.569 1.548 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000191504096 443304427 /nfs/dbraw/zinc/30/44/27/443304427.db2.gz RELOGWVJQINMIR-INIZCTEOSA-N 2 1 344.463 1.697 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000191504096 443304430 /nfs/dbraw/zinc/30/44/30/443304430.db2.gz RELOGWVJQINMIR-INIZCTEOSA-N 2 1 344.463 1.697 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000269473712 443318143 /nfs/dbraw/zinc/31/81/43/443318143.db2.gz JOLACXYQCZNMKO-MOPGFXCFSA-N 2 1 345.487 1.566 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000269473712 443318145 /nfs/dbraw/zinc/31/81/45/443318145.db2.gz JOLACXYQCZNMKO-MOPGFXCFSA-N 2 1 345.487 1.566 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000269473715 443318179 /nfs/dbraw/zinc/31/81/79/443318179.db2.gz JOLACXYQCZNMKO-RTBURBONSA-N 2 1 345.487 1.566 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000269473715 443318183 /nfs/dbraw/zinc/31/81/83/443318183.db2.gz JOLACXYQCZNMKO-RTBURBONSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@@H]([NH2+]CC(=O)NCC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272485071 443335215 /nfs/dbraw/zinc/33/52/15/443335215.db2.gz MLBVNFCXIUXIIL-UKRRQHHQSA-N 2 1 325.403 1.868 20 0 EDADMP C[C@@H]([NH2+]CC(=O)NCC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272485071 443335216 /nfs/dbraw/zinc/33/52/16/443335216.db2.gz MLBVNFCXIUXIIL-UKRRQHHQSA-N 2 1 325.403 1.868 20 0 EDADMP C[N@H+](CCN1CC[NH+](CCN2CCOCC2)CC1)Cc1ccccc1 ZINC000264697102 443379934 /nfs/dbraw/zinc/37/99/34/443379934.db2.gz IZNDVMIUEABEBH-UHFFFAOYSA-N 2 1 346.519 1.068 20 0 EDADMP C[N@@H+](CCN1CC[NH+](CCN2CCOCC2)CC1)Cc1ccccc1 ZINC000264697102 443379937 /nfs/dbraw/zinc/37/99/37/443379937.db2.gz IZNDVMIUEABEBH-UHFFFAOYSA-N 2 1 346.519 1.068 20 0 EDADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000264652734 443362490 /nfs/dbraw/zinc/36/24/90/443362490.db2.gz GSJSSEXGXNQKCY-SFHVURJKSA-N 2 1 330.476 1.258 20 0 EDADMP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc(N2CCOCC2)c1 ZINC000423140479 319752350 /nfs/dbraw/zinc/75/23/50/319752350.db2.gz YPPCPSFJUBNDAY-VAMGGRTRSA-N 2 1 345.487 1.770 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@H](O)C3)CC2)cc1 ZINC000265002445 443505793 /nfs/dbraw/zinc/50/57/93/443505793.db2.gz PGKLUVAAEKPCND-SFHVURJKSA-N 2 1 331.460 1.096 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@H](O)C3)CC2)cc1 ZINC000265002445 443505795 /nfs/dbraw/zinc/50/57/95/443505795.db2.gz PGKLUVAAEKPCND-SFHVURJKSA-N 2 1 331.460 1.096 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000265002445 443505796 /nfs/dbraw/zinc/50/57/96/443505796.db2.gz PGKLUVAAEKPCND-SFHVURJKSA-N 2 1 331.460 1.096 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000265002445 443505799 /nfs/dbraw/zinc/50/57/99/443505799.db2.gz PGKLUVAAEKPCND-SFHVURJKSA-N 2 1 331.460 1.096 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000423436213 319775324 /nfs/dbraw/zinc/77/53/24/319775324.db2.gz ZRQGYDMPOQWQOP-QGZVFWFLSA-N 2 1 325.497 1.853 20 0 EDADMP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000423474105 319777988 /nfs/dbraw/zinc/77/79/88/319777988.db2.gz JJIHSHXQJFQHIB-KBPBESRZSA-N 2 1 346.443 1.992 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000272266758 443573471 /nfs/dbraw/zinc/57/34/71/443573471.db2.gz NEURAADVPMYZAE-CGTJXYLNSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000272266758 443573473 /nfs/dbraw/zinc/57/34/73/443573473.db2.gz NEURAADVPMYZAE-CGTJXYLNSA-N 2 1 331.460 1.473 20 0 EDADMP C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)N1CC[NH+](C)CC1 ZINC000273451418 443575138 /nfs/dbraw/zinc/57/51/38/443575138.db2.gz UARULXPLKZUEGM-OAHLLOKOSA-N 2 1 338.521 1.274 20 0 EDADMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000265231786 443578856 /nfs/dbraw/zinc/57/88/56/443578856.db2.gz QZOKKEDPQCXYNP-UHFFFAOYSA-N 2 1 345.487 1.744 20 0 EDADMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000265231786 443578859 /nfs/dbraw/zinc/57/88/59/443578859.db2.gz QZOKKEDPQCXYNP-UHFFFAOYSA-N 2 1 345.487 1.744 20 0 EDADMP C[C@@H]([NH2+]CCC(=O)N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272376593 443606578 /nfs/dbraw/zinc/60/65/78/443606578.db2.gz BJGXVFPGQYAJLM-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP O=C(NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279928069 443643970 /nfs/dbraw/zinc/64/39/70/443643970.db2.gz QRZOAGMJILVMID-RTBURBONSA-N 2 1 343.471 1.149 20 0 EDADMP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+]1C1CC1 ZINC000279928069 443643971 /nfs/dbraw/zinc/64/39/71/443643971.db2.gz QRZOAGMJILVMID-RTBURBONSA-N 2 1 343.471 1.149 20 0 EDADMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+]1C1CC1 ZINC000279928069 443643973 /nfs/dbraw/zinc/64/39/73/443643973.db2.gz QRZOAGMJILVMID-RTBURBONSA-N 2 1 343.471 1.149 20 0 EDADMP C[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CC=CCC2)[C@H]1c1ccccc1 ZINC000279954975 443649225 /nfs/dbraw/zinc/64/92/25/443649225.db2.gz PAWGKUOKKNMKHO-ZWKOTPCHSA-N 2 1 328.460 1.993 20 0 EDADMP O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000435250521 320014362 /nfs/dbraw/zinc/01/43/62/320014362.db2.gz YUBXHHYOSOMVPY-LJQANCHMSA-N 2 1 342.487 1.157 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000438080129 320032792 /nfs/dbraw/zinc/03/27/92/320032792.db2.gz NOEIZBBXDCMQCN-JKSUJKDBSA-N 2 1 334.464 1.779 20 0 EDADMP CCOC(=O)Cn1nc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000438080129 320032795 /nfs/dbraw/zinc/03/27/95/320032795.db2.gz NOEIZBBXDCMQCN-JKSUJKDBSA-N 2 1 334.464 1.779 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000439963552 320056070 /nfs/dbraw/zinc/05/60/70/320056070.db2.gz SMHYZDUGEAHBEK-LJQANCHMSA-N 2 1 349.519 1.964 20 0 EDADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000280110218 443665775 /nfs/dbraw/zinc/66/57/75/443665775.db2.gz FEPMXZOUMXBSDQ-RTBURBONSA-N 2 1 343.471 1.496 20 0 EDADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000280110218 443665777 /nfs/dbraw/zinc/66/57/77/443665777.db2.gz FEPMXZOUMXBSDQ-RTBURBONSA-N 2 1 343.471 1.496 20 0 EDADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000280110218 443665779 /nfs/dbraw/zinc/66/57/79/443665779.db2.gz FEPMXZOUMXBSDQ-RTBURBONSA-N 2 1 343.471 1.496 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000457452380 320326521 /nfs/dbraw/zinc/32/65/21/320326521.db2.gz HLZAFABZMHBPMU-MRXNPFEDSA-N 2 1 326.485 1.005 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000458854025 320343267 /nfs/dbraw/zinc/34/32/67/320343267.db2.gz XCFDNMDNBCJJFT-UHFFFAOYSA-N 2 1 326.485 1.225 20 0 EDADMP CCc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc(C)[nH+]1 ZINC000286366309 443699478 /nfs/dbraw/zinc/69/94/78/443699478.db2.gz MJHFFYPUSCYFSC-GOOCMWNKSA-N 2 1 331.464 1.843 20 0 EDADMP CCc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc(C)[nH+]1 ZINC000286366309 443699480 /nfs/dbraw/zinc/69/94/80/443699480.db2.gz MJHFFYPUSCYFSC-GOOCMWNKSA-N 2 1 331.464 1.843 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccnn1 ZINC000528799387 320565253 /nfs/dbraw/zinc/56/52/53/320565253.db2.gz LULTZGNWACAGNX-UHFFFAOYSA-N 2 1 345.491 1.745 20 0 EDADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000298794513 443869911 /nfs/dbraw/zinc/86/99/11/443869911.db2.gz UIUTXJBJWDHKJX-KRWDZBQOSA-N 2 1 335.492 1.970 20 0 EDADMP C[C@H]1C[C@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000292913914 443877382 /nfs/dbraw/zinc/87/73/82/443877382.db2.gz FOPHEHJXNPAOPA-ZAAXVRCTSA-N 2 1 329.488 1.620 20 0 EDADMP C[C@H]1C[C@H](NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000292913914 443877385 /nfs/dbraw/zinc/87/73/85/443877385.db2.gz FOPHEHJXNPAOPA-ZAAXVRCTSA-N 2 1 329.488 1.620 20 0 EDADMP C[C@H]1C[C@H](NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C[NH+]1C1CC1 ZINC000292913914 443877391 /nfs/dbraw/zinc/87/73/91/443877391.db2.gz FOPHEHJXNPAOPA-ZAAXVRCTSA-N 2 1 329.488 1.620 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000293168330 443942004 /nfs/dbraw/zinc/94/20/04/443942004.db2.gz RUVSIEFYMFZEPN-ZWKOTPCHSA-N 2 1 336.476 1.499 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000293168330 443942008 /nfs/dbraw/zinc/94/20/08/443942008.db2.gz RUVSIEFYMFZEPN-ZWKOTPCHSA-N 2 1 336.476 1.499 20 0 EDADMP [NH3+]CC[C@H]1CCCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000281630806 443964023 /nfs/dbraw/zinc/96/40/23/443964023.db2.gz DCDIZWPNXISXGT-MOPGFXCFSA-N 2 1 345.487 1.865 20 0 EDADMP [NH3+]CC[C@H]1CCCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000281630806 443964027 /nfs/dbraw/zinc/96/40/27/443964027.db2.gz DCDIZWPNXISXGT-MOPGFXCFSA-N 2 1 345.487 1.865 20 0 EDADMP CC[NH+](CC)CCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000561109475 321032945 /nfs/dbraw/zinc/03/29/45/321032945.db2.gz WZUODYMNDSTZKV-UHFFFAOYSA-N 3 1 338.540 1.641 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H](O)CNc2ccccc2CC[NH+](C)C)C[C@H](C)O1 ZINC000563010787 321087701 /nfs/dbraw/zinc/08/77/01/321087701.db2.gz WOQRBCRXQKQGNY-JZXOWHBKSA-N 2 1 335.492 1.673 20 0 EDADMP Cc1cc(CNC(=O)N2CC[NH+]3CCC2CC3)cc(N2CCCC2)[nH+]1 ZINC000564598368 321136992 /nfs/dbraw/zinc/13/69/92/321136992.db2.gz SWHPOIKXXJCTNJ-UHFFFAOYSA-N 2 1 343.475 1.980 20 0 EDADMP CCC[C@@H]1CN(C(=O)c2ccccc2CC[NH3+])CC[N@H+]1CCOC ZINC000566075805 321213278 /nfs/dbraw/zinc/21/32/78/321213278.db2.gz GLLUJULMRPQVGH-QGZVFWFLSA-N 2 1 333.476 1.761 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000566123816 321218610 /nfs/dbraw/zinc/21/86/10/321218610.db2.gz PGPKEICHJBAEBZ-ROUUACIJSA-N 2 1 336.476 1.825 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000566303581 321226095 /nfs/dbraw/zinc/22/60/95/321226095.db2.gz CPESUVDACBISDA-HZPDHXFCSA-N 2 1 348.466 1.534 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000566303581 321226096 /nfs/dbraw/zinc/22/60/96/321226096.db2.gz CPESUVDACBISDA-HZPDHXFCSA-N 2 1 348.466 1.534 20 0 EDADMP C[N@H+]1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C(C)(C)C1 ZINC000567625742 321249376 /nfs/dbraw/zinc/24/93/76/321249376.db2.gz VSQMDGMIVMZEJP-HNNXBMFYSA-N 2 1 325.522 1.757 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CCOC ZINC000567979914 321270967 /nfs/dbraw/zinc/27/09/67/321270967.db2.gz CBUSHYQMGHFYSB-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP CCC[C@H]1CN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CCOC ZINC000567979914 321270969 /nfs/dbraw/zinc/27/09/69/321270969.db2.gz CBUSHYQMGHFYSB-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP CN(CCC(=O)N(C)C(C)(C)C[NH+]1CCOCC1)c1cc[nH+]cc1 ZINC000568218779 321281722 /nfs/dbraw/zinc/28/17/22/321281722.db2.gz BBTHVLQWEZQGTD-UHFFFAOYSA-N 2 1 334.464 1.477 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCCC[NH2+]C(C)C)[NH+](C)C ZINC000568608790 321298942 /nfs/dbraw/zinc/29/89/42/321298942.db2.gz HIAOCTXZUHSWAB-MRXNPFEDSA-N 2 1 336.480 1.985 20 0 EDADMP CCNC(=O)c1cccc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000569858310 321330467 /nfs/dbraw/zinc/33/04/67/321330467.db2.gz UFSIULMBFMFIHF-UHFFFAOYSA-N 2 1 332.448 1.436 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571081826 321369965 /nfs/dbraw/zinc/36/99/65/321369965.db2.gz HFWQJFQDPNQUGZ-NQYYFHDYSA-N 2 1 345.487 1.780 20 0 EDADMP CC[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571081826 321369967 /nfs/dbraw/zinc/36/99/67/321369967.db2.gz HFWQJFQDPNQUGZ-NQYYFHDYSA-N 2 1 345.487 1.780 20 0 EDADMP CN(CCC[N@@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1)CC[NH+](C)C ZINC000289410243 444135059 /nfs/dbraw/zinc/13/50/59/444135059.db2.gz LSUXYZIMGJVQTL-SFHVURJKSA-N 2 1 348.491 1.827 20 0 EDADMP C[N@@H+](C[C@@H](O)CN1CCC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000289526511 444165091 /nfs/dbraw/zinc/16/50/91/444165091.db2.gz BKLLPIGHPOHUDV-LJQANCHMSA-N 2 1 335.467 1.789 20 0 EDADMP C[NH+](C[C@@H](O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000289526511 444165093 /nfs/dbraw/zinc/16/50/93/444165093.db2.gz BKLLPIGHPOHUDV-LJQANCHMSA-N 2 1 335.467 1.789 20 0 EDADMP C[NH+](C[C@@H](O)CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000289526511 444165096 /nfs/dbraw/zinc/16/50/96/444165096.db2.gz BKLLPIGHPOHUDV-LJQANCHMSA-N 2 1 335.467 1.789 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000289384974 444126563 /nfs/dbraw/zinc/12/65/63/444126563.db2.gz CZMSZRQMWYHYSI-QGZVFWFLSA-N 2 1 349.523 1.564 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2cccnc2-n2ccnc2)C[C@H](C)N1C ZINC000296121850 444206130 /nfs/dbraw/zinc/20/61/30/444206130.db2.gz BYIOCHRREQHGPL-OKILXGFUSA-N 2 1 328.420 1.501 20 0 EDADMP C[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)[C@H]2C1 ZINC000286006505 444174435 /nfs/dbraw/zinc/17/44/35/444174435.db2.gz ZHPRIGDMCIYJSS-RBUKOAKNSA-N 2 1 343.471 1.828 20 0 EDADMP Cc1cc(N2CCC([NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)CC2)nc(C)[nH+]1 ZINC000575795059 321527791 /nfs/dbraw/zinc/52/77/91/321527791.db2.gz HGNNOWAMWTVZKK-HKUYNNGSSA-N 2 1 345.491 1.419 20 0 EDADMP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c(C)s1 ZINC000576027164 321540563 /nfs/dbraw/zinc/54/05/63/321540563.db2.gz OGOAKMXOTJRNBG-KBPBESRZSA-N 2 1 345.534 1.893 20 0 EDADMP C[N@H+](C[C@@H](O)CN1CC[NH+](CCOc2ccccc2)CC1)C1CC1 ZINC000289701089 444192704 /nfs/dbraw/zinc/19/27/04/444192704.db2.gz FNZCVIHYQGKQJO-GOSISDBHSA-N 2 1 333.476 1.138 20 0 EDADMP C[N@@H+](C[C@@H](O)CN1CC[NH+](CCOc2ccccc2)CC1)C1CC1 ZINC000289701089 444192705 /nfs/dbraw/zinc/19/27/05/444192705.db2.gz FNZCVIHYQGKQJO-GOSISDBHSA-N 2 1 333.476 1.138 20 0 EDADMP C[C@@H](O)C[C@H]1CCC[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000305219203 444266119 /nfs/dbraw/zinc/26/61/19/444266119.db2.gz KLUYWTRERCWALK-IAGOWNOFSA-N 2 1 346.475 1.356 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000303345866 444236506 /nfs/dbraw/zinc/23/65/06/444236506.db2.gz ZVEZPEFMSYXDTM-GJZGRUSLSA-N 2 1 325.497 1.458 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000290100678 444242662 /nfs/dbraw/zinc/24/26/62/444242662.db2.gz WVNUBNPVEKKUBO-ZBFHGGJFSA-N 2 1 328.460 1.960 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000290100678 444242665 /nfs/dbraw/zinc/24/26/65/444242665.db2.gz WVNUBNPVEKKUBO-ZBFHGGJFSA-N 2 1 328.460 1.960 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000290100678 444242667 /nfs/dbraw/zinc/24/26/67/444242667.db2.gz WVNUBNPVEKKUBO-ZBFHGGJFSA-N 2 1 328.460 1.960 20 0 EDADMP Cc1nc2ccccn2c(=O)c1CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000290100678 444242669 /nfs/dbraw/zinc/24/26/69/444242669.db2.gz WVNUBNPVEKKUBO-ZBFHGGJFSA-N 2 1 328.460 1.960 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297694912 444319985 /nfs/dbraw/zinc/31/99/85/444319985.db2.gz XSWIVEQGHDWMAM-CQSZACIVSA-N 2 1 345.447 1.321 20 0 EDADMP CC(C)[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000327526547 444383390 /nfs/dbraw/zinc/38/33/90/444383390.db2.gz IYDJLHOLWFEYOR-NZSAHSFTSA-N 2 1 346.519 1.711 20 0 EDADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C2(N3CCOCC3)CCC2)C1 ZINC000329080061 444466544 /nfs/dbraw/zinc/46/65/44/444466544.db2.gz CJCSSZUNUAXQIT-INIZCTEOSA-N 2 1 346.475 1.864 20 0 EDADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC1 ZINC000580282686 322030277 /nfs/dbraw/zinc/03/02/77/322030277.db2.gz OCIMHIHOQBSQKT-SFHVURJKSA-N 2 1 345.491 1.864 20 0 EDADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC1 ZINC000580282686 322030279 /nfs/dbraw/zinc/03/02/79/322030279.db2.gz OCIMHIHOQBSQKT-SFHVURJKSA-N 2 1 345.491 1.864 20 0 EDADMP C[C@@H](NC(=O)CC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580644248 322077456 /nfs/dbraw/zinc/07/74/56/322077456.db2.gz LKAVSQNGTFZDTL-VQIMIIECSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@@H](NC(=O)CC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580644248 322077458 /nfs/dbraw/zinc/07/74/58/322077458.db2.gz LKAVSQNGTFZDTL-VQIMIIECSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000581478101 322181892 /nfs/dbraw/zinc/18/18/92/322181892.db2.gz DRRTZMXTPCYCEB-RYQLBKOJSA-N 2 1 330.476 1.948 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000581934410 322234816 /nfs/dbraw/zinc/23/48/16/322234816.db2.gz NHQGPQBWIQZUSG-NVXWUHKLSA-N 2 1 335.423 1.983 20 0 EDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C[C@@H]21 ZINC000342129750 444524277 /nfs/dbraw/zinc/52/42/77/444524277.db2.gz HHIGVMYEQBKXBU-ZOBORPQBSA-N 2 1 333.398 1.847 20 0 EDADMP CN(C)c1ncc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1C ZINC000332839978 444569328 /nfs/dbraw/zinc/56/93/28/444569328.db2.gz IUEBEIDZGOPODX-HIFRSBDPSA-N 2 1 334.468 1.112 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1C ZINC000332839978 444569338 /nfs/dbraw/zinc/56/93/38/444569338.db2.gz IUEBEIDZGOPODX-HIFRSBDPSA-N 2 1 334.468 1.112 20 0 EDADMP CC(C)N1CCC[C@H]([N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000343710517 444536670 /nfs/dbraw/zinc/53/66/70/444536670.db2.gz LNYSTQIHWFCLGC-WMZOPIPTSA-N 2 1 336.524 1.486 20 0 EDADMP CC(C)N1CCC[C@H]([N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000343710517 444536672 /nfs/dbraw/zinc/53/66/72/444536672.db2.gz LNYSTQIHWFCLGC-WMZOPIPTSA-N 2 1 336.524 1.486 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000340857640 444546592 /nfs/dbraw/zinc/54/65/92/444546592.db2.gz ICWZHCKBZRNLIO-ROUUACIJSA-N 2 1 332.492 1.943 20 0 EDADMP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338269530 444601238 /nfs/dbraw/zinc/60/12/38/444601238.db2.gz FBNSVMSHDPQSOV-JKSUJKDBSA-N 2 1 325.497 1.676 20 0 EDADMP CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338269530 444601243 /nfs/dbraw/zinc/60/12/43/444601243.db2.gz FBNSVMSHDPQSOV-JKSUJKDBSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H]1C[N@@H+](CCCO[C@H]2CCCCO2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000338283712 444610835 /nfs/dbraw/zinc/61/08/35/444610835.db2.gz SVWNEBITDHQSEM-QRVBRYPASA-N 2 1 339.524 1.878 20 0 EDADMP Cc1csc(C2([NH2+]CCC(=O)N3CC[NH+](C)CC3)CCCC2)n1 ZINC000338291679 444614832 /nfs/dbraw/zinc/61/48/32/444614832.db2.gz OUTDVSGHTJCJDV-UHFFFAOYSA-N 2 1 336.505 1.975 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000341061132 444658681 /nfs/dbraw/zinc/65/86/81/444658681.db2.gz ZQQVYITXRWLQOR-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@@H]1CCCN1C(=O)CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343919646 444669088 /nfs/dbraw/zinc/66/90/88/444669088.db2.gz GXELZUDWBDMLJE-KURKYZTESA-N 2 1 336.524 1.345 20 0 EDADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000344022905 444733789 /nfs/dbraw/zinc/73/37/89/444733789.db2.gz PJRIEQYFBWRZFB-GOEBONIOSA-N 2 1 349.475 1.942 20 0 EDADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000333720025 444693202 /nfs/dbraw/zinc/69/32/02/444693202.db2.gz GLUXYONMMOWBBH-SOLBZPMBSA-N 2 1 345.491 1.858 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000333720025 444693204 /nfs/dbraw/zinc/69/32/04/444693204.db2.gz GLUXYONMMOWBBH-SOLBZPMBSA-N 2 1 345.491 1.858 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000342700624 444822793 /nfs/dbraw/zinc/82/27/93/444822793.db2.gz XUZLQDLBMMZDLF-UAGQMJEPSA-N 2 1 325.497 1.628 20 0 EDADMP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000342754195 444850369 /nfs/dbraw/zinc/85/03/69/444850369.db2.gz PVSVKUKYYDAGTL-CQSZACIVSA-N 2 1 327.375 1.810 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000342889265 444921305 /nfs/dbraw/zinc/92/13/05/444921305.db2.gz FJPFBENGLDQKCX-OAHLLOKOSA-N 2 1 331.460 1.841 20 0 EDADMP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000344369847 444924417 /nfs/dbraw/zinc/92/44/17/444924417.db2.gz XPBQCXUAZUOULH-KRWDZBQOSA-N 2 1 344.503 1.993 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000330539249 445025192 /nfs/dbraw/zinc/02/51/92/445025192.db2.gz YOKQIUYHQMCDST-GJZGRUSLSA-N 2 1 329.448 1.463 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000337326131 445034319 /nfs/dbraw/zinc/03/43/19/445034319.db2.gz VWERSUGBASCMCH-RBUKOAKNSA-N 3 1 340.556 1.351 20 0 EDADMP CC(C)N1C(=O)C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC1(C)C ZINC000337249361 445002910 /nfs/dbraw/zinc/00/29/10/445002910.db2.gz LPTDLVOVFUXDNF-UHFFFAOYSA-N 2 1 338.540 1.734 20 0 EDADMP CC(C)N1C(=O)C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC1(C)C ZINC000337249361 445002913 /nfs/dbraw/zinc/00/29/13/445002913.db2.gz LPTDLVOVFUXDNF-UHFFFAOYSA-N 2 1 338.540 1.734 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)CN2CCOCC2)CC1 ZINC000337464478 445092039 /nfs/dbraw/zinc/09/20/39/445092039.db2.gz LYNPYFYKWKOFRZ-GOSISDBHSA-N 2 1 326.529 1.055 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000337568052 445141168 /nfs/dbraw/zinc/14/11/68/445141168.db2.gz XMYIRJUHDDCEHD-BRWVUGGUSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000337568052 445141174 /nfs/dbraw/zinc/14/11/74/445141174.db2.gz XMYIRJUHDDCEHD-BRWVUGGUSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000337568052 445141177 /nfs/dbraw/zinc/14/11/77/445141177.db2.gz XMYIRJUHDDCEHD-BRWVUGGUSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)N1CCOCC1 ZINC000343252775 445162374 /nfs/dbraw/zinc/16/23/74/445162374.db2.gz UCYQEBXEKLOLTO-NCXUSEDFSA-N 2 1 339.524 1.480 20 0 EDADMP COc1cccc(CNC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342095315 445169629 /nfs/dbraw/zinc/16/96/29/445169629.db2.gz GAVMOFYLSKXOTJ-QXRTWZOPSA-N 2 1 331.460 1.759 20 0 EDADMP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C2)CC1 ZINC000339460818 445144390 /nfs/dbraw/zinc/14/43/90/445144390.db2.gz JRPAMTJODBEOLZ-MJGOQNOKSA-N 2 1 349.519 1.820 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1nc(C)no1 ZINC000337582161 445150850 /nfs/dbraw/zinc/15/08/50/445150850.db2.gz ORRJNDCXUROLFQ-HNNXBMFYSA-N 2 1 337.468 1.185 20 0 EDADMP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)COCC1CCOCC1 ZINC000343248522 445159766 /nfs/dbraw/zinc/15/97/66/445159766.db2.gz IAMYLJBQLOQTAT-KZNAEPCWSA-N 2 1 326.481 1.566 20 0 EDADMP C[N@H+](CC(=O)N1CC[NH+](CC2CCOCC2)CC1)Cc1ccccc1 ZINC000346473780 445216295 /nfs/dbraw/zinc/21/62/95/445216295.db2.gz LSPREMIFCNYVKR-UHFFFAOYSA-N 2 1 345.487 1.689 20 0 EDADMP C[N@@H+](CC(=O)N1CC[NH+](CC2CCOCC2)CC1)Cc1ccccc1 ZINC000346473780 445216296 /nfs/dbraw/zinc/21/62/96/445216296.db2.gz LSPREMIFCNYVKR-UHFFFAOYSA-N 2 1 345.487 1.689 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000347206065 445234341 /nfs/dbraw/zinc/23/43/41/445234341.db2.gz DZDSDMBJXPGVKQ-NVXWUHKLSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000347206065 445234343 /nfs/dbraw/zinc/23/43/43/445234343.db2.gz DZDSDMBJXPGVKQ-NVXWUHKLSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000347206065 445234345 /nfs/dbraw/zinc/23/43/45/445234345.db2.gz DZDSDMBJXPGVKQ-NVXWUHKLSA-N 2 1 338.496 1.365 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000351639925 445254202 /nfs/dbraw/zinc/25/42/02/445254202.db2.gz RZPNQTDNTJWTLO-MRXNPFEDSA-N 2 1 327.517 1.044 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000351639925 445254204 /nfs/dbraw/zinc/25/42/04/445254204.db2.gz RZPNQTDNTJWTLO-MRXNPFEDSA-N 2 1 327.517 1.044 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000351639925 445254206 /nfs/dbraw/zinc/25/42/06/445254206.db2.gz RZPNQTDNTJWTLO-MRXNPFEDSA-N 2 1 327.517 1.044 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)C[C@H](C)O1 ZINC000343607020 445261151 /nfs/dbraw/zinc/26/11/51/445261151.db2.gz AZAFOKICAFTYBA-QKPAOTATSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@H](C)O1 ZINC000343607020 445261155 /nfs/dbraw/zinc/26/11/55/445261155.db2.gz AZAFOKICAFTYBA-QKPAOTATSA-N 2 1 326.485 1.268 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)C[C@H](C)O1 ZINC000343607020 445261160 /nfs/dbraw/zinc/26/11/60/445261160.db2.gz AZAFOKICAFTYBA-QKPAOTATSA-N 2 1 326.485 1.268 20 0 EDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348093166 445266068 /nfs/dbraw/zinc/26/60/68/445266068.db2.gz ZEGPAHBXRDSUOQ-CVEARBPZSA-N 2 1 332.427 1.526 20 0 EDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348093166 445266069 /nfs/dbraw/zinc/26/60/69/445266069.db2.gz ZEGPAHBXRDSUOQ-CVEARBPZSA-N 2 1 332.427 1.526 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@H+](C)CCn2ccnc2)cc[nH+]1 ZINC000348178240 445306230 /nfs/dbraw/zinc/30/62/30/445306230.db2.gz LXVKHRYPXMHRCB-HUUCEWRRSA-N 2 1 347.442 1.288 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)CCn2ccnc2)cc[nH+]1 ZINC000348178240 445306233 /nfs/dbraw/zinc/30/62/33/445306233.db2.gz LXVKHRYPXMHRCB-HUUCEWRRSA-N 2 1 347.442 1.288 20 0 EDADMP C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@H+]1CCCC[C@@H]1C ZINC000348206445 445316290 /nfs/dbraw/zinc/31/62/90/445316290.db2.gz OZMHMUALYCPVGS-JKSUJKDBSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@@H](C(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[NH+](CC)CC ZINC000354510900 445271138 /nfs/dbraw/zinc/27/11/38/445271138.db2.gz MMUJNSNQPAWRBH-INIZCTEOSA-N 2 1 326.529 1.639 20 0 EDADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343640208 445276525 /nfs/dbraw/zinc/27/65/25/445276525.db2.gz LWPQPPSELSTQLA-OALUTQOASA-N 2 1 342.487 1.157 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000351701404 445278751 /nfs/dbraw/zinc/27/87/51/445278751.db2.gz XFLAXGIJAATZEV-HOTGVXAUSA-N 2 1 326.485 1.271 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000351864285 445347324 /nfs/dbraw/zinc/34/73/24/445347324.db2.gz XIERBBMGRUCCQS-OFQRWUPVSA-N 2 1 328.460 1.884 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000351864285 445347326 /nfs/dbraw/zinc/34/73/26/445347326.db2.gz XIERBBMGRUCCQS-OFQRWUPVSA-N 2 1 328.460 1.884 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2C)C1 ZINC000351876040 445350023 /nfs/dbraw/zinc/35/00/23/445350023.db2.gz FQMIXQOWOXYPBS-MRXNPFEDSA-N 2 1 337.468 1.334 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000348557917 445325442 /nfs/dbraw/zinc/32/54/42/445325442.db2.gz RKSCWEWDWRRQIG-BEFAXECRSA-N 2 1 341.459 1.871 20 0 EDADMP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357078797 445412345 /nfs/dbraw/zinc/41/23/45/445412345.db2.gz LZXHJEIMKDDPLC-CABCVRRESA-N 2 1 327.428 1.604 20 0 EDADMP CO[C@@]1(C)C[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000362439885 445382414 /nfs/dbraw/zinc/38/24/14/445382414.db2.gz PYGMBUABELJCDJ-APWZRJJASA-N 2 1 337.508 1.865 20 0 EDADMP CC[C@H](COC)[NH2+]C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354916296 445434244 /nfs/dbraw/zinc/43/42/44/445434244.db2.gz GJLSYZOCDSZQOE-MCIONIFRSA-N 2 1 325.432 1.474 20 0 EDADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CCOCC[NH3+])C2)cc1 ZINC000357110466 445434507 /nfs/dbraw/zinc/43/45/07/445434507.db2.gz XLWONDCJINXYEH-INIZCTEOSA-N 2 1 334.464 1.804 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000354957797 445436184 /nfs/dbraw/zinc/43/61/84/445436184.db2.gz GYSHBEZTIKKTFK-DLBZAZTESA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000354957797 445436187 /nfs/dbraw/zinc/43/61/87/445436187.db2.gz GYSHBEZTIKKTFK-DLBZAZTESA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000354957797 445436191 /nfs/dbraw/zinc/43/61/91/445436191.db2.gz GYSHBEZTIKKTFK-DLBZAZTESA-N 2 1 338.496 1.101 20 0 EDADMP CCC(CC)[C@H](C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000359803070 445436221 /nfs/dbraw/zinc/43/62/21/445436221.db2.gz UPNVAHGNEDSBHN-USXIJHARSA-N 2 1 325.497 1.532 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000348906804 445436849 /nfs/dbraw/zinc/43/68/49/445436849.db2.gz BPXTYUCYWAHRSI-IRXDYDNUSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000348906804 445436853 /nfs/dbraw/zinc/43/68/53/445436853.db2.gz BPXTYUCYWAHRSI-IRXDYDNUSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000348906804 445436857 /nfs/dbraw/zinc/43/68/57/445436857.db2.gz BPXTYUCYWAHRSI-IRXDYDNUSA-N 2 1 345.487 1.348 20 0 EDADMP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355026871 445439632 /nfs/dbraw/zinc/43/96/32/445439632.db2.gz BERJDBDCIHJYAF-IRXDYDNUSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H](C(=O)N1CCCCC1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355026871 445439638 /nfs/dbraw/zinc/43/96/38/445439638.db2.gz BERJDBDCIHJYAF-IRXDYDNUSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362564829 445442713 /nfs/dbraw/zinc/44/27/13/445442713.db2.gz OHQIKIBRDSVIHH-CABCVRRESA-N 2 1 333.480 1.729 20 0 EDADMP CC[C@H]1C[C@@H](C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000348937337 445448272 /nfs/dbraw/zinc/44/82/72/445448272.db2.gz VWKWQRBFEKJZBI-WMZOPIPTSA-N 2 1 337.508 1.678 20 0 EDADMP O=C(C[N@H+]1CCC[C@H]1C1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000348952611 445453048 /nfs/dbraw/zinc/45/30/48/445453048.db2.gz VXBXEAVLGPPIIU-SFHVURJKSA-N 2 1 335.492 1.620 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c(Cl)cnn1C ZINC000349036243 445483847 /nfs/dbraw/zinc/48/38/47/445483847.db2.gz ODCHFWQITYDKQP-CQSZACIVSA-N 2 1 327.904 1.921 20 0 EDADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+](C)C ZINC000357295016 445531620 /nfs/dbraw/zinc/53/16/20/445531620.db2.gz ZJSKEKIYWGOEIX-IEZWGBDMSA-N 2 1 348.491 1.352 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000362663030 445485209 /nfs/dbraw/zinc/48/52/09/445485209.db2.gz KMSHCMQBCZWBER-OCCSQVGLSA-N 2 1 346.431 1.292 20 0 EDADMP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000352122136 445506544 /nfs/dbraw/zinc/50/65/44/445506544.db2.gz SXNNCBUTTLNILM-HKUYNNGSSA-N 2 1 333.476 1.470 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000362799620 445555360 /nfs/dbraw/zinc/55/53/60/445555360.db2.gz WVKQVDUGDIFCST-SJORKVTESA-N 2 1 345.491 1.612 20 0 EDADMP CC[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CCOC ZINC000362811437 445560958 /nfs/dbraw/zinc/56/09/58/445560958.db2.gz CLSPHKJQVZHDKN-KRWDZBQOSA-N 2 1 333.476 1.931 20 0 EDADMP CC[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CCOC ZINC000362811437 445560963 /nfs/dbraw/zinc/56/09/63/445560963.db2.gz CLSPHKJQVZHDKN-KRWDZBQOSA-N 2 1 333.476 1.931 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000353096212 445575468 /nfs/dbraw/zinc/57/54/68/445575468.db2.gz ILTBLWAKVQCMNH-OAHLLOKOSA-N 2 1 327.517 1.042 20 0 EDADMP CC(C)[C@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@H+]1C ZINC000362856707 445582901 /nfs/dbraw/zinc/58/29/01/445582901.db2.gz SHXBORPCVLPBKJ-GDBMZVCRSA-N 2 1 328.526 1.405 20 0 EDADMP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362856162 445583434 /nfs/dbraw/zinc/58/34/34/445583434.db2.gz PZZVGHXTYQPFES-RDJZCZTQSA-N 2 1 325.497 1.534 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000357874762 445588152 /nfs/dbraw/zinc/58/81/52/445588152.db2.gz UHKGFCBDNHZARS-LTIDMASMSA-N 2 1 338.496 1.364 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000360170794 445610267 /nfs/dbraw/zinc/61/02/67/445610267.db2.gz KWVJRSCQSPVAMG-UHFFFAOYSA-N 2 1 340.512 1.215 20 0 EDADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NC[C@H]1Cc2ccccc2O1 ZINC000358515564 445627978 /nfs/dbraw/zinc/62/79/78/445627978.db2.gz ZENLXZZBHQKBRN-MRXNPFEDSA-N 2 1 329.444 1.182 20 0 EDADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1(C(=O)OC)CCC1 ZINC000353532215 445645741 /nfs/dbraw/zinc/64/57/41/445645741.db2.gz CBCOLWRATXBKEC-QGZVFWFLSA-N 2 1 339.524 1.972 20 0 EDADMP C[N@@H+](CCNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CCCC1 ZINC000363013060 445648910 /nfs/dbraw/zinc/64/89/10/445648910.db2.gz BMCHMVMOAADHPH-IRXDYDNUSA-N 2 1 338.496 1.101 20 0 EDADMP C[C@H]1C[N@H+](CCCNC(=O)CCCC[NH+]2CCOCC2)CCCO1 ZINC000360290262 445680112 /nfs/dbraw/zinc/68/01/12/445680112.db2.gz CAYNHMVGGAITPC-KRWDZBQOSA-N 2 1 341.496 1.106 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)CCCC[NH+]2CCOCC2)CCCO1 ZINC000360290262 445680117 /nfs/dbraw/zinc/68/01/17/445680117.db2.gz CAYNHMVGGAITPC-KRWDZBQOSA-N 2 1 341.496 1.106 20 0 EDADMP COc1ccsc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353673035 445701198 /nfs/dbraw/zinc/70/11/98/445701198.db2.gz OMSXESYNFFOLNF-UHFFFAOYSA-N 2 1 325.478 1.839 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360393426 445705176 /nfs/dbraw/zinc/70/51/76/445705176.db2.gz CCCGELUQMLXBFZ-VYDXJSESSA-N 2 1 342.553 1.843 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)C[C@H](C)O1 ZINC000353695105 445712258 /nfs/dbraw/zinc/71/22/58/445712258.db2.gz PHRFIDIJAPZHOO-YVSFHVDLSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C[C@H](C)O1 ZINC000353695105 445712268 /nfs/dbraw/zinc/71/22/68/445712268.db2.gz PHRFIDIJAPZHOO-YVSFHVDLSA-N 2 1 338.496 1.221 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C[C@H](C)O1 ZINC000353695105 445712274 /nfs/dbraw/zinc/71/22/74/445712274.db2.gz PHRFIDIJAPZHOO-YVSFHVDLSA-N 2 1 338.496 1.221 20 0 EDADMP C[NH+](C)CCCCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000353812187 445767534 /nfs/dbraw/zinc/76/75/34/445767534.db2.gz HWYGRKCQRJXJQL-UHFFFAOYSA-N 2 1 332.492 1.262 20 0 EDADMP C[C@@H]1C[C@H](C(=O)NCc2ccncc2OCC[NH+](C)C)CC[N@H+]1C ZINC000356489194 445818406 /nfs/dbraw/zinc/81/84/06/445818406.db2.gz YJLXZIXRSDUDQO-HUUCEWRRSA-N 2 1 334.464 1.369 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000350370203 445818839 /nfs/dbraw/zinc/81/88/39/445818839.db2.gz UZIXHCHGYRUOGF-YESZJQIVSA-N 2 1 341.496 1.055 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000350370203 445818843 /nfs/dbraw/zinc/81/88/43/445818843.db2.gz UZIXHCHGYRUOGF-YESZJQIVSA-N 2 1 341.496 1.055 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000363479688 445821321 /nfs/dbraw/zinc/82/13/21/445821321.db2.gz JGYCUGACOKVLMI-YYIAUSFCSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363479688 445821325 /nfs/dbraw/zinc/82/13/25/445821325.db2.gz JGYCUGACOKVLMI-YYIAUSFCSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363479688 445821329 /nfs/dbraw/zinc/82/13/29/445821329.db2.gz JGYCUGACOKVLMI-YYIAUSFCSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)C[N@H+]1C1CC1 ZINC000358880028 445828619 /nfs/dbraw/zinc/82/86/19/445828619.db2.gz BKLQRHWASVKPFW-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)C[NH+]1C1CC1 ZINC000358880028 445828624 /nfs/dbraw/zinc/82/86/24/445828624.db2.gz BKLQRHWASVKPFW-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[NH+]1C1CC1 ZINC000358880028 445828630 /nfs/dbraw/zinc/82/86/30/445828630.db2.gz BKLQRHWASVKPFW-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000358880028 445828633 /nfs/dbraw/zinc/82/86/33/445828633.db2.gz BKLQRHWASVKPFW-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C[N@H+]1C1CC1 ZINC000358880028 445828639 /nfs/dbraw/zinc/82/86/39/445828639.db2.gz BKLQRHWASVKPFW-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000350204863 445793021 /nfs/dbraw/zinc/79/30/21/445793021.db2.gz GDXHKTWQTGLSGT-YESZJQIVSA-N 2 1 341.496 1.103 20 0 EDADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3)C2)CC1 ZINC000363455450 445811637 /nfs/dbraw/zinc/81/16/37/445811637.db2.gz DDYXGHTYXQGYCT-RBUKOAKNSA-N 2 1 347.503 1.386 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1CCCC1 ZINC000356512011 445833042 /nfs/dbraw/zinc/83/30/42/445833042.db2.gz WFUYOAPSNROHJA-QGZVFWFLSA-N 2 1 345.553 1.854 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1CCCC1 ZINC000356512011 445833045 /nfs/dbraw/zinc/83/30/45/445833045.db2.gz WFUYOAPSNROHJA-QGZVFWFLSA-N 2 1 345.553 1.854 20 0 EDADMP COc1cc2[nH+]c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)nc(N)c2cc1OC ZINC000363514982 445840023 /nfs/dbraw/zinc/84/00/23/445840023.db2.gz AMMHWCFYOXVGQK-NWDGAFQWSA-N 2 1 343.431 1.690 20 0 EDADMP COc1cc2[nH+]c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)nc(N)c2cc1OC ZINC000363514982 445840028 /nfs/dbraw/zinc/84/00/28/445840028.db2.gz AMMHWCFYOXVGQK-NWDGAFQWSA-N 2 1 343.431 1.690 20 0 EDADMP CC[C@H]1CN(c2cccc(-n3cc[nH+]c3C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000363524520 445844448 /nfs/dbraw/zinc/84/44/48/445844448.db2.gz WYKZJDVXDNXKCS-ZBFHGGJFSA-N 2 1 329.448 1.857 20 0 EDADMP CC[C@H]1CN(c2cccc(-n3cc[nH+]c3C)n2)CC[N@H+]1C[C@@H](C)O ZINC000363524520 445844451 /nfs/dbraw/zinc/84/44/51/445844451.db2.gz WYKZJDVXDNXKCS-ZBFHGGJFSA-N 2 1 329.448 1.857 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN(C(C)=O)C2)[C@H](C)C1 ZINC000359034461 445900130 /nfs/dbraw/zinc/90/01/30/445900130.db2.gz ZFPYMSHXCBWYCN-QRQLOZEOSA-N 2 1 339.524 1.972 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000364380719 445915879 /nfs/dbraw/zinc/91/58/79/445915879.db2.gz UDJOJVHCFZPMSV-FPSMNIFISA-N 2 1 334.508 1.841 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000364380719 445915884 /nfs/dbraw/zinc/91/58/84/445915884.db2.gz UDJOJVHCFZPMSV-FPSMNIFISA-N 2 1 334.508 1.841 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000364380719 445915892 /nfs/dbraw/zinc/91/58/92/445915892.db2.gz UDJOJVHCFZPMSV-FPSMNIFISA-N 2 1 334.508 1.841 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000356737356 445979185 /nfs/dbraw/zinc/97/91/85/445979185.db2.gz ZBDINRRDWJPYSC-ZWKOTPCHSA-N 2 1 346.475 1.083 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000356737356 445979193 /nfs/dbraw/zinc/97/91/93/445979193.db2.gz ZBDINRRDWJPYSC-ZWKOTPCHSA-N 2 1 346.475 1.083 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000356737356 445979203 /nfs/dbraw/zinc/97/92/03/445979203.db2.gz ZBDINRRDWJPYSC-ZWKOTPCHSA-N 2 1 346.475 1.083 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000356737356 445979207 /nfs/dbraw/zinc/97/92/07/445979207.db2.gz ZBDINRRDWJPYSC-ZWKOTPCHSA-N 2 1 346.475 1.083 20 0 EDADMP Cc1cc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)cc(N2CCCC2)[nH+]1 ZINC000582775267 325923678 /nfs/dbraw/zinc/92/36/78/325923678.db2.gz WPXINTBWPAGOKD-HNNXBMFYSA-N 2 1 331.464 1.789 20 0 EDADMP CCn1nccc1CC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000351267438 446022750 /nfs/dbraw/zinc/02/27/50/446022750.db2.gz HANYMDOSDDNAKI-ROUUACIJSA-N 2 1 333.524 1.936 20 0 EDADMP COc1cc(NC(=O)C[N@@H+](C)CCC2CC[NH2+]CC2)cc(OC)c1 ZINC000359195400 446023051 /nfs/dbraw/zinc/02/30/51/446023051.db2.gz SNAJNHMBTCTMFL-UHFFFAOYSA-N 2 1 335.448 1.964 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)c3[nH]nc4ccccc43)C2)CC1 ZINC000369278101 446045313 /nfs/dbraw/zinc/04/53/13/446045313.db2.gz PEJZCISWXGXBAL-ZDUSSCGKSA-N 2 1 327.432 1.461 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2[C@H]2CCC[N@H+]2C)CC1 ZINC000369329758 446077064 /nfs/dbraw/zinc/07/70/64/446077064.db2.gz NPAANBNJBMDYBE-QZTJIDSGSA-N 2 1 336.524 1.534 20 0 EDADMP CN(C(=O)c1cc(Cl)ccn1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365220712 446085425 /nfs/dbraw/zinc/08/54/25/446085425.db2.gz FUJJYGWKNGXVCD-HNNXBMFYSA-N 2 1 336.867 1.976 20 0 EDADMP CN(C(=O)c1cc(Cl)ccn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365220712 446085430 /nfs/dbraw/zinc/08/54/30/446085430.db2.gz FUJJYGWKNGXVCD-HNNXBMFYSA-N 2 1 336.867 1.976 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351493661 446096412 /nfs/dbraw/zinc/09/64/12/446096412.db2.gz MUTRMHJRJMXHEB-JCGIZDLHSA-N 2 1 347.459 1.249 20 0 EDADMP CCOc1ccc(OCCNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351493661 446096422 /nfs/dbraw/zinc/09/64/22/446096422.db2.gz MUTRMHJRJMXHEB-JCGIZDLHSA-N 2 1 347.459 1.249 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000359273694 446111009 /nfs/dbraw/zinc/11/10/09/446111009.db2.gz NREQNFGWDSFEKV-OAHLLOKOSA-N 2 1 340.512 1.071 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH+]1CC(C)C ZINC000359278902 446113984 /nfs/dbraw/zinc/11/39/84/446113984.db2.gz UNARMBNRSGUHCW-HOTGVXAUSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC000359278902 446113989 /nfs/dbraw/zinc/11/39/89/446113989.db2.gz UNARMBNRSGUHCW-HOTGVXAUSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC000359278902 446113993 /nfs/dbraw/zinc/11/39/93/446113993.db2.gz UNARMBNRSGUHCW-HOTGVXAUSA-N 2 1 340.512 1.070 20 0 EDADMP CCC(CC)[C@@H](C(=O)N1CCC(C[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000359278439 446114472 /nfs/dbraw/zinc/11/44/72/446114472.db2.gz FHHIIHIJNIVSKB-SFHVURJKSA-N 2 1 339.524 1.924 20 0 EDADMP C[C@H](C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000365324678 446146998 /nfs/dbraw/zinc/14/69/98/446146998.db2.gz FVMNOOXUBBHIQR-XDNAFOTISA-N 2 1 336.524 1.486 20 0 EDADMP C[C@H](C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000365324678 446147004 /nfs/dbraw/zinc/14/70/04/446147004.db2.gz FVMNOOXUBBHIQR-XDNAFOTISA-N 2 1 336.524 1.486 20 0 EDADMP C[C@H](C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000365324678 446147009 /nfs/dbraw/zinc/14/70/09/446147009.db2.gz FVMNOOXUBBHIQR-XDNAFOTISA-N 2 1 336.524 1.486 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C3CC[NH2+]CC3)CC2)CC1 ZINC000366319512 446148100 /nfs/dbraw/zinc/14/81/00/446148100.db2.gz CAGAUEVSXBPDQF-UHFFFAOYSA-N 3 1 336.524 1.299 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000366330574 446156540 /nfs/dbraw/zinc/15/65/40/446156540.db2.gz RDTUWFUQVOYLRM-INIZCTEOSA-N 2 1 339.480 1.940 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000366330574 446156543 /nfs/dbraw/zinc/15/65/43/446156543.db2.gz RDTUWFUQVOYLRM-INIZCTEOSA-N 2 1 339.480 1.940 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@H](C)C2)[C@H](C)C1 ZINC000354439219 446204302 /nfs/dbraw/zinc/20/43/02/446204302.db2.gz VCXDKGSKMAPKCK-TVFCKZIOSA-N 2 1 339.524 1.970 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H](C)C1 ZINC000354439219 446204309 /nfs/dbraw/zinc/20/43/09/446204309.db2.gz VCXDKGSKMAPKCK-TVFCKZIOSA-N 2 1 339.524 1.970 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H](C)C1 ZINC000354439219 446204313 /nfs/dbraw/zinc/20/43/13/446204313.db2.gz VCXDKGSKMAPKCK-TVFCKZIOSA-N 2 1 339.524 1.970 20 0 EDADMP COCCCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000351625333 446218554 /nfs/dbraw/zinc/21/85/54/446218554.db2.gz WMAKPPPDAHAFDN-UHFFFAOYSA-N 2 1 333.476 1.737 20 0 EDADMP COc1cc2c(cc1F)[nH+]ccc2N1CCC[N@H+](CC(N)=O)CC1 ZINC000373522112 446247521 /nfs/dbraw/zinc/24/75/21/446247521.db2.gz MNDSXCHAERLWIL-UHFFFAOYSA-N 2 1 332.379 1.380 20 0 EDADMP COc1cc2c(cc1F)[nH+]ccc2N1CCC[N@@H+](CC(N)=O)CC1 ZINC000373522112 446247525 /nfs/dbraw/zinc/24/75/25/446247525.db2.gz MNDSXCHAERLWIL-UHFFFAOYSA-N 2 1 332.379 1.380 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC000362218375 446268867 /nfs/dbraw/zinc/26/88/67/446268867.db2.gz JHPTVFYAKHTBOO-INIZCTEOSA-N 2 1 325.416 1.534 20 0 EDADMP CCCCOC(=O)CC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000362252553 446287258 /nfs/dbraw/zinc/28/72/58/446287258.db2.gz BACFGBPCHVRXAP-QGZVFWFLSA-N 2 1 325.497 1.679 20 0 EDADMP C[C@@H]1C[N@H+](Cc2c[nH]c3nccnc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365661349 446291913 /nfs/dbraw/zinc/29/19/13/446291913.db2.gz QNYHVOCWJCQGPD-ZBFHGGJFSA-N 2 1 328.464 1.367 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1F ZINC000417273900 446337247 /nfs/dbraw/zinc/33/72/47/446337247.db2.gz YKHATTXASVWAJX-ABAIWWIYSA-N 2 1 331.395 1.951 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCO[C@@H]4CCC[C@@H]43)cn2)CC1 ZINC000374252878 446359149 /nfs/dbraw/zinc/35/91/49/446359149.db2.gz AWKSGJQRZAAUAL-DLBZAZTESA-N 2 1 331.464 1.372 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCO[C@@H]4CCC[C@@H]43)cn2)CC1 ZINC000374252878 446359154 /nfs/dbraw/zinc/35/91/54/446359154.db2.gz AWKSGJQRZAAUAL-DLBZAZTESA-N 2 1 331.464 1.372 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000417913598 446384666 /nfs/dbraw/zinc/38/46/66/446384666.db2.gz QTYGXDNBMBYSJY-NVXWUHKLSA-N 2 1 328.476 1.697 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000417913598 446384669 /nfs/dbraw/zinc/38/46/69/446384669.db2.gz QTYGXDNBMBYSJY-NVXWUHKLSA-N 2 1 328.476 1.697 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3CCCC[C@H]32)C1 ZINC000366873423 446391611 /nfs/dbraw/zinc/39/16/11/446391611.db2.gz ZDDFZDZNYGZFCR-KZNAEPCWSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H]3CCCC[C@H]32)C1 ZINC000366873423 446391614 /nfs/dbraw/zinc/39/16/14/446391614.db2.gz ZDDFZDZNYGZFCR-KZNAEPCWSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H]3CCCC[C@H]32)C1 ZINC000366873423 446391618 /nfs/dbraw/zinc/39/16/18/446391618.db2.gz ZDDFZDZNYGZFCR-KZNAEPCWSA-N 2 1 337.508 1.724 20 0 EDADMP COC(=O)C(C)(C)CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374780110 446392628 /nfs/dbraw/zinc/39/26/28/446392628.db2.gz RSQBEMYOVYWSQX-OAHLLOKOSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@H]1C[N@H+](Cc2cnn3ccccc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370700301 446392793 /nfs/dbraw/zinc/39/27/93/446392793.db2.gz SCJMABVBBZJJOI-FUHWJXTLSA-N 2 1 327.476 1.792 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cnn3ccccc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370700301 446392796 /nfs/dbraw/zinc/39/27/96/446392796.db2.gz SCJMABVBBZJJOI-FUHWJXTLSA-N 2 1 327.476 1.792 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](n3cc4ccccc4n3)C2)CC1 ZINC000366970819 446435338 /nfs/dbraw/zinc/43/53/38/446435338.db2.gz VAPPKHABIXGONW-KRWDZBQOSA-N 2 1 341.459 1.447 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](n3cc4ccccc4n3)C2)CC1 ZINC000366970819 446435344 /nfs/dbraw/zinc/43/53/44/446435344.db2.gz VAPPKHABIXGONW-KRWDZBQOSA-N 2 1 341.459 1.447 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2nc3cccnc3s2)C1)N1CC[NH2+]CC1 ZINC000420287442 446452678 /nfs/dbraw/zinc/45/26/78/446452678.db2.gz GJOSHHULBCSHFJ-CYBMUJFWSA-N 2 1 345.472 1.335 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418095534 446439281 /nfs/dbraw/zinc/43/92/81/446439281.db2.gz GKKDBIHKUPNTKP-INIZCTEOSA-N 2 1 340.512 1.646 20 0 EDADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CC[C@@H](C)[C@H](C[NH3+])C2)n1 ZINC000420271670 446443146 /nfs/dbraw/zinc/44/31/46/446443146.db2.gz BPHHSFXEDYQRQT-CBZIJGRNSA-N 2 1 347.507 2.513 20 0 EDADMP COC[C@]1(CNC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000417972492 446404170 /nfs/dbraw/zinc/40/41/70/446404170.db2.gz BOBHVMHNCLUFNI-VQIMIIECSA-N 2 1 348.491 1.575 20 0 EDADMP CC[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000417989409 446409413 /nfs/dbraw/zinc/40/94/13/446409413.db2.gz KYSMLSJQVMXAJU-ZWKOTPCHSA-N 2 1 346.475 1.882 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417988123 446409466 /nfs/dbraw/zinc/40/94/66/446409466.db2.gz RNXHUBPHFTYVHD-LPHOPBHVSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000417996967 446411090 /nfs/dbraw/zinc/41/10/90/446411090.db2.gz REHFIOKVVKNNGB-FHLIZLRMSA-N 2 1 346.475 1.050 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000418017738 446417598 /nfs/dbraw/zinc/41/75/98/446417598.db2.gz TVYSPNDWFFMMDI-RDJZCZTQSA-N 2 1 334.464 1.042 20 0 EDADMP O=C([C@H]1C[NH2+]CCO1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370763992 446422887 /nfs/dbraw/zinc/42/28/87/446422887.db2.gz SOKPXSSLFDHJPP-UYAOXDASSA-N 2 1 343.471 1.490 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000370765926 446424706 /nfs/dbraw/zinc/42/47/06/446424706.db2.gz INFZJCAPORQWNP-RYQLBKOJSA-N 2 1 332.492 1.465 20 0 EDADMP COC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000370767677 446425867 /nfs/dbraw/zinc/42/58/67/446425867.db2.gz VJSSLVSICAMSKD-QGZVFWFLSA-N 2 1 331.460 1.488 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420296073 446459688 /nfs/dbraw/zinc/45/96/88/446459688.db2.gz CZINSCMQMIKAMH-MRXNPFEDSA-N 2 1 339.505 1.595 20 0 EDADMP Cc1nc(C[C@@H]2CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)no1 ZINC000420296074 446459695 /nfs/dbraw/zinc/45/96/95/446459695.db2.gz CZJHDUDZBSFOQU-BZSNNMDCSA-N 2 1 344.459 1.563 20 0 EDADMP COc1cc(OC)cc(-n2nnnc2C[N@H+](C)CC[C@@H]2CC[NH2+]C2)c1 ZINC000420303494 446466683 /nfs/dbraw/zinc/46/66/83/446466683.db2.gz NNWOBOIZGAVTEJ-ZDUSSCGKSA-N 2 1 346.435 1.111 20 0 EDADMP COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)c1 ZINC000420303494 446466692 /nfs/dbraw/zinc/46/66/92/446466692.db2.gz NNWOBOIZGAVTEJ-ZDUSSCGKSA-N 2 1 346.435 1.111 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@]2([NH+](C)C)CCCSC2)C1 ZINC000367019182 446466858 /nfs/dbraw/zinc/46/68/58/446466858.db2.gz GTIZOYZEVZUHBN-WBVHZDCISA-N 2 1 327.538 1.908 20 0 EDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000423271537 446470287 /nfs/dbraw/zinc/47/02/87/446470287.db2.gz XXSSFCZLLPJOST-DGCLKSJQSA-N 2 1 330.270 1.962 20 0 EDADMP CC[C@H]1CN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC[N@H+]1CCOC ZINC000420309744 446474114 /nfs/dbraw/zinc/47/41/14/446474114.db2.gz FEYFFRHEMWDEJT-MSOLQXFVSA-N 2 1 335.492 1.780 20 0 EDADMP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420313070 446478889 /nfs/dbraw/zinc/47/88/89/446478889.db2.gz TYHXCIXBLNQKDJ-UHFFFAOYSA-N 2 1 345.443 1.877 20 0 EDADMP COc1ccc(OCC[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420317797 446484209 /nfs/dbraw/zinc/48/42/09/446484209.db2.gz NZMRRUIOTBRVGS-PMACEKPBSA-N 2 1 344.455 1.937 20 0 EDADMP COc1ccc(OCC[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420317797 446484216 /nfs/dbraw/zinc/48/42/16/446484216.db2.gz NZMRRUIOTBRVGS-PMACEKPBSA-N 2 1 344.455 1.937 20 0 EDADMP O=C1NC[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCN12 ZINC000411311065 446485429 /nfs/dbraw/zinc/48/54/29/446485429.db2.gz PYRHYAPCZYATMM-GOSISDBHSA-N 2 1 328.460 1.882 20 0 EDADMP O=C1NC[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCN12 ZINC000411311065 446485435 /nfs/dbraw/zinc/48/54/35/446485435.db2.gz PYRHYAPCZYATMM-GOSISDBHSA-N 2 1 328.460 1.882 20 0 EDADMP COc1ccc(NC(=O)CC[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420320329 446485569 /nfs/dbraw/zinc/48/55/69/446485569.db2.gz BIQQLLBNHILTQA-HNNXBMFYSA-N 2 1 347.459 1.711 20 0 EDADMP COC[C@@]1(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000423318277 446485985 /nfs/dbraw/zinc/48/59/85/446485985.db2.gz DKFMGSOAEDHLKX-HXUWFJFHSA-N 2 1 345.487 1.566 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000420323111 446490068 /nfs/dbraw/zinc/49/00/68/446490068.db2.gz FRZYXNKYZYDXHY-XYJFISCASA-N 2 1 345.487 1.940 20 0 EDADMP COc1ccc(NC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000420332739 446503077 /nfs/dbraw/zinc/50/30/77/446503077.db2.gz SHAPQOGAOIQUQW-AEFFLSMTSA-N 2 1 333.432 1.462 20 0 EDADMP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1cccs1 ZINC000420333947 446504729 /nfs/dbraw/zinc/50/47/29/446504729.db2.gz TYQRFEXHOWDORW-QEORTHHSSA-N 2 1 337.489 1.754 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418340455 446507778 /nfs/dbraw/zinc/50/77/78/446507778.db2.gz NQTAOJAIQLBFDT-NVXWUHKLSA-N 2 1 331.464 1.439 20 0 EDADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCC[NH3+] ZINC000418354506 446512540 /nfs/dbraw/zinc/51/25/40/446512540.db2.gz OQTUZNCNFRKGSB-MAUKXSAKSA-N 2 1 347.507 1.981 20 0 EDADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCC[NH3+] ZINC000418354506 446512547 /nfs/dbraw/zinc/51/25/47/446512547.db2.gz OQTUZNCNFRKGSB-MAUKXSAKSA-N 2 1 347.507 1.981 20 0 EDADMP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2NCCCC2(C)C)CC[NH2+]CC1 ZINC000423388067 446513238 /nfs/dbraw/zinc/51/32/38/446513238.db2.gz MOVBIZVYHHVFBS-LSDHHAIUSA-N 2 1 325.497 1.676 20 0 EDADMP CCOC(=O)C1([C@H](C)NC[C@H]2[NH2+]CCCC2(C)C)CC[NH2+]CC1 ZINC000423388067 446513245 /nfs/dbraw/zinc/51/32/45/446513245.db2.gz MOVBIZVYHHVFBS-LSDHHAIUSA-N 2 1 325.497 1.676 20 0 EDADMP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329692 446498655 /nfs/dbraw/zinc/49/86/55/446498655.db2.gz ORWLNZMIFGAUFH-VUROTCPHSA-N 2 1 337.508 1.757 20 0 EDADMP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329692 446498662 /nfs/dbraw/zinc/49/86/62/446498662.db2.gz ORWLNZMIFGAUFH-VUROTCPHSA-N 2 1 337.508 1.757 20 0 EDADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000433369725 446565859 /nfs/dbraw/zinc/56/58/59/446565859.db2.gz ZFEXJNBVJYKJML-UHFFFAOYSA-N 2 1 333.476 1.667 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418368561 446516870 /nfs/dbraw/zinc/51/68/70/446516870.db2.gz MVNYEDJAWVOWGS-FUHWJXTLSA-N 2 1 330.476 1.902 20 0 EDADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346747 446521724 /nfs/dbraw/zinc/52/17/24/446521724.db2.gz DMAGCXGJDONVEN-PKOBYXMFSA-N 2 1 344.503 1.321 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@]34C[C@H]3CC[NH2+]4)CC2)cs1 ZINC000423407027 446522242 /nfs/dbraw/zinc/52/22/42/446522242.db2.gz LOPVQWHZZWEUAA-KDOFPFPSSA-N 2 1 348.516 1.786 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418387981 446524181 /nfs/dbraw/zinc/52/41/81/446524181.db2.gz UPWLTOOCVRXAJZ-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000418388120 446524637 /nfs/dbraw/zinc/52/46/37/446524637.db2.gz POLKZWWFTQVAKB-DLBZAZTESA-N 2 1 333.480 1.528 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418387314 446524821 /nfs/dbraw/zinc/52/48/21/446524821.db2.gz RALCUPMBRTWXHD-SFHVURJKSA-N 2 1 330.476 1.902 20 0 EDADMP CCc1ccc(-c2noc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420349121 446525019 /nfs/dbraw/zinc/52/50/19/446525019.db2.gz NVBJCSRLFUBQDN-KRWDZBQOSA-N 2 1 341.459 1.779 20 0 EDADMP CCc1ccc(-c2noc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420349121 446525028 /nfs/dbraw/zinc/52/50/28/446525028.db2.gz NVBJCSRLFUBQDN-KRWDZBQOSA-N 2 1 341.459 1.779 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423419744 446526716 /nfs/dbraw/zinc/52/67/16/446526716.db2.gz JATDAHQIANVIAK-IAGOWNOFSA-N 2 1 333.480 1.802 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423426658 446531001 /nfs/dbraw/zinc/53/10/01/446531001.db2.gz NFDRSTJCKUPFLB-YMQHIKHWSA-N 2 1 343.515 1.847 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423426658 446531005 /nfs/dbraw/zinc/53/10/05/446531005.db2.gz NFDRSTJCKUPFLB-YMQHIKHWSA-N 3 1 343.515 1.847 20 0 EDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423426658 446531007 /nfs/dbraw/zinc/53/10/07/446531007.db2.gz NFDRSTJCKUPFLB-YMQHIKHWSA-N 3 1 343.515 1.847 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)C[C@H]1CC ZINC000418416101 446535662 /nfs/dbraw/zinc/53/56/62/446535662.db2.gz PFTBXWJLAXNCTD-HZPDHXFCSA-N 2 1 328.501 1.502 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418415575 446535767 /nfs/dbraw/zinc/53/57/67/446535767.db2.gz NWEYKSCWYIEABU-MJGOQNOKSA-N 2 1 348.491 1.296 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418428805 446540398 /nfs/dbraw/zinc/54/03/98/446540398.db2.gz MYRRSANPCCORDY-ZBFHGGJFSA-N 2 1 334.464 1.173 20 0 EDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423445404 446541031 /nfs/dbraw/zinc/54/10/31/446541031.db2.gz SBJTYZUJGPWCTP-DLBZAZTESA-N 2 1 333.480 1.754 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[NH2+][C@](C)(C(N)=O)c2ccccc2)cc1 ZINC000420362661 446542099 /nfs/dbraw/zinc/54/20/99/446542099.db2.gz BANSVELERWBFNG-KXBFYZLASA-N 2 1 327.428 1.728 20 0 EDADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000418450085 446547165 /nfs/dbraw/zinc/54/71/65/446547165.db2.gz UMNPPOCSQBTQIH-CABCVRRESA-N 2 1 326.485 1.255 20 0 EDADMP CCC[NH2+]CCNC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418464033 446553493 /nfs/dbraw/zinc/55/34/93/446553493.db2.gz ABAVIFZXZIKHKZ-LJQANCHMSA-N 2 1 348.491 1.264 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000418468892 446555033 /nfs/dbraw/zinc/55/50/33/446555033.db2.gz PVKXWMYIBJSXOS-OAHLLOKOSA-N 2 1 327.517 1.219 20 0 EDADMP C[N@@H+]1CCN(C(=O)NCCC2=CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000418599399 446610482 /nfs/dbraw/zinc/61/04/82/446610482.db2.gz HQSJWZLZVPSFPT-SFHVURJKSA-N 2 1 328.460 1.995 20 0 EDADMP C[N@H+]1CCN(C(=O)NCCC2=CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000418599399 446610488 /nfs/dbraw/zinc/61/04/88/446610488.db2.gz HQSJWZLZVPSFPT-SFHVURJKSA-N 2 1 328.460 1.995 20 0 EDADMP CC(C)OCC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371084807 446618458 /nfs/dbraw/zinc/61/84/58/446618458.db2.gz HRMLLJMNYACCHC-UHFFFAOYSA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@@H+](CC(=O)N(C)C1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000371017068 446575534 /nfs/dbraw/zinc/57/55/34/446575534.db2.gz QFNNRKAKWAHCLD-UHFFFAOYSA-N 2 1 330.476 1.989 20 0 EDADMP C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367708717 446578087 /nfs/dbraw/zinc/57/80/87/446578087.db2.gz VSAIQDKTLIKKHP-BRWVUGGUSA-N 2 1 346.475 1.547 20 0 EDADMP C[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367708717 446578094 /nfs/dbraw/zinc/57/80/94/446578094.db2.gz VSAIQDKTLIKKHP-BRWVUGGUSA-N 2 1 346.475 1.547 20 0 EDADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCC(F)(F)C[NH3+])C2)CC1 ZINC000418522739 446580045 /nfs/dbraw/zinc/58/00/45/446580045.db2.gz JSIWVFUBPAAXGY-AWEZNQCLSA-N 2 1 332.439 1.734 20 0 EDADMP C[C@H](NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000420408470 446581219 /nfs/dbraw/zinc/58/12/19/446581219.db2.gz WDEZKUSGAOJAGR-LBPRGKRZSA-N 2 1 325.840 1.303 20 0 EDADMP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C[C@H]1C[NH3+] ZINC000420407318 446581561 /nfs/dbraw/zinc/58/15/61/446581561.db2.gz OKOJFIIXUIZQAZ-QGPMSJSTSA-N 2 1 349.450 1.642 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C[C@H]1C[NH3+] ZINC000420407318 446581566 /nfs/dbraw/zinc/58/15/66/446581566.db2.gz OKOJFIIXUIZQAZ-QGPMSJSTSA-N 2 1 349.450 1.642 20 0 EDADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)NCC(F)(F)C[NH3+])cc1 ZINC000418543691 446587863 /nfs/dbraw/zinc/58/78/63/446587863.db2.gz IDXSHLIHEYMTCQ-KGLIPLIRSA-N 2 1 342.390 1.034 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000418558115 446593369 /nfs/dbraw/zinc/59/33/69/446593369.db2.gz SHDUFGGVMIMGTL-SJLPKXTDSA-N 2 1 328.460 1.916 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420420646 446595215 /nfs/dbraw/zinc/59/52/15/446595215.db2.gz YBQSAROGAOCTOE-QAPCUYQASA-N 2 1 333.476 1.756 20 0 EDADMP CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420420646 446595223 /nfs/dbraw/zinc/59/52/23/446595223.db2.gz YBQSAROGAOCTOE-QAPCUYQASA-N 2 1 333.476 1.756 20 0 EDADMP C[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000371064882 446605053 /nfs/dbraw/zinc/60/50/53/446605053.db2.gz NBUBQYGILSRRAR-IAGOWNOFSA-N 2 1 334.439 1.964 20 0 EDADMP C[NH+](CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000371064882 446605063 /nfs/dbraw/zinc/60/50/63/446605063.db2.gz NBUBQYGILSRRAR-IAGOWNOFSA-N 2 1 334.439 1.964 20 0 EDADMP C[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000371064882 446605072 /nfs/dbraw/zinc/60/50/72/446605072.db2.gz NBUBQYGILSRRAR-IAGOWNOFSA-N 2 1 334.439 1.964 20 0 EDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418662817 446638954 /nfs/dbraw/zinc/63/89/54/446638954.db2.gz FCVJUFSRHYHYSZ-BZUAXINKSA-N 2 1 340.512 1.238 20 0 EDADMP [NH3+]CCC[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)c1ccccc1 ZINC000418667637 446641297 /nfs/dbraw/zinc/64/12/97/446641297.db2.gz HKJPYZSTDNQTGC-MSOLQXFVSA-N 2 1 348.491 1.613 20 0 EDADMP [NH3+]CCC[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1ccccc1 ZINC000418667640 446642059 /nfs/dbraw/zinc/64/20/59/446642059.db2.gz HKJPYZSTDNQTGC-ROUUACIJSA-N 2 1 348.491 1.613 20 0 EDADMP O=C(NCc1c[nH+]c2n1CCCC2)NC1CC[NH+](CC2CC2)CC1 ZINC000375223416 446653017 /nfs/dbraw/zinc/65/30/17/446653017.db2.gz VGNLBLZMNOXYIS-UHFFFAOYSA-N 2 1 331.464 1.893 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000418737144 446660960 /nfs/dbraw/zinc/66/09/60/446660960.db2.gz VHMXGBIMKWONTG-KBPBESRZSA-N 2 1 339.509 1.652 20 0 EDADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375244346 446666974 /nfs/dbraw/zinc/66/69/74/446666974.db2.gz FTLOULHBYOHODR-UHFFFAOYSA-N 3 1 333.524 1.931 20 0 EDADMP COCC[N@H+](C)CCCNC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000371090870 446623700 /nfs/dbraw/zinc/62/37/00/446623700.db2.gz YXFVRRPPUCSIOC-KRWDZBQOSA-N 2 1 334.464 1.441 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000371090870 446623707 /nfs/dbraw/zinc/62/37/07/446623707.db2.gz YXFVRRPPUCSIOC-KRWDZBQOSA-N 2 1 334.464 1.441 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000371090870 446623712 /nfs/dbraw/zinc/62/37/12/446623712.db2.gz YXFVRRPPUCSIOC-KRWDZBQOSA-N 2 1 334.464 1.441 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371090870 446623715 /nfs/dbraw/zinc/62/37/15/446623715.db2.gz YXFVRRPPUCSIOC-KRWDZBQOSA-N 2 1 334.464 1.441 20 0 EDADMP CO[C@H](C)CC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371095510 446626114 /nfs/dbraw/zinc/62/61/14/446626114.db2.gz WAUGKDGXNUVGAJ-OAHLLOKOSA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418645000 446630579 /nfs/dbraw/zinc/63/05/79/446630579.db2.gz VQKMGNVHNREPME-FUHWJXTLSA-N 2 1 330.476 1.999 20 0 EDADMP CCN1CCC([N@@H+](C[C@@H](O)COC2CCOCC2)C2CC2)CC1 ZINC000371204993 446688481 /nfs/dbraw/zinc/68/84/81/446688481.db2.gz MKXMQKDNJZAQIL-QGZVFWFLSA-N 2 1 326.481 1.492 20 0 EDADMP CC[NH+]1CCC([N@H+](C[C@@H](O)COC2CCOCC2)C2CC2)CC1 ZINC000371204993 446688488 /nfs/dbraw/zinc/68/84/88/446688488.db2.gz MKXMQKDNJZAQIL-QGZVFWFLSA-N 2 1 326.481 1.492 20 0 EDADMP CC[NH+]1CCC([N@@H+](C[C@@H](O)COC2CCOCC2)C2CC2)CC1 ZINC000371204993 446688496 /nfs/dbraw/zinc/68/84/96/446688496.db2.gz MKXMQKDNJZAQIL-QGZVFWFLSA-N 2 1 326.481 1.492 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000418777915 446696123 /nfs/dbraw/zinc/69/61/23/446696123.db2.gz ZBSACARNLOACEG-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418794085 446705982 /nfs/dbraw/zinc/70/59/82/446705982.db2.gz QTTXRBORBPOGPP-KRWDZBQOSA-N 2 1 348.491 1.575 20 0 EDADMP CC[C@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000423820227 446711292 /nfs/dbraw/zinc/71/12/92/446711292.db2.gz GSFZVQUWFFPGOZ-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)[C@H]1c1ccc(Cl)cc1 ZINC000423822485 446712509 /nfs/dbraw/zinc/71/25/09/446712509.db2.gz ISAFXMCQZHNDQB-HLLBOEOZSA-N 2 1 337.851 1.580 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)[C@H]1c1ccc(Cl)cc1 ZINC000423822485 446712513 /nfs/dbraw/zinc/71/25/13/446712513.db2.gz ISAFXMCQZHNDQB-HLLBOEOZSA-N 2 1 337.851 1.580 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@H]([NH3+])CCC(=O)OC)CC[N@@H+]1Cc1ccccc1 ZINC000423832187 446721288 /nfs/dbraw/zinc/72/12/88/446721288.db2.gz XELHFEGTYWQYJS-IRXDYDNUSA-N 2 1 347.459 1.390 20 0 EDADMP CC[C@H]1CN(C(=O)[C@@H]([NH3+])CCC(=O)OC)CC[N@H+]1Cc1ccccc1 ZINC000423832187 446721294 /nfs/dbraw/zinc/72/12/94/446721294.db2.gz XELHFEGTYWQYJS-IRXDYDNUSA-N 2 1 347.459 1.390 20 0 EDADMP CC[C@@H](CS(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)OC ZINC000420663437 446732771 /nfs/dbraw/zinc/73/27/71/446732771.db2.gz LDFLSPVFBIGAEG-CVEARBPZSA-N 2 1 349.541 1.089 20 0 EDADMP CC[C@@H](CS(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)OC ZINC000420663437 446732776 /nfs/dbraw/zinc/73/27/76/446732776.db2.gz LDFLSPVFBIGAEG-CVEARBPZSA-N 2 1 349.541 1.089 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[N@H+]1Cc1ccccc1 ZINC000423894197 446748106 /nfs/dbraw/zinc/74/81/06/446748106.db2.gz DRMLTUIBQHWARM-OWYHZJEWSA-N 2 1 345.487 1.910 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)COC2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000423902828 446753926 /nfs/dbraw/zinc/75/39/26/446753926.db2.gz MMGXVNBSINBXCK-NVXWUHKLSA-N 2 1 331.460 1.392 20 0 EDADMP CCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000418873704 446765542 /nfs/dbraw/zinc/76/55/42/446765542.db2.gz YJKBNYGEVFNJFT-OAHLLOKOSA-N 2 1 340.512 1.119 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423929485 446779980 /nfs/dbraw/zinc/77/99/80/446779980.db2.gz IZRWIPYMRXJGCS-BZSNNMDCSA-N 2 1 331.460 1.707 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423929485 446779985 /nfs/dbraw/zinc/77/99/85/446779985.db2.gz IZRWIPYMRXJGCS-BZSNNMDCSA-N 2 1 331.460 1.707 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000420745662 446788033 /nfs/dbraw/zinc/78/80/33/446788033.db2.gz ZDJDXMSQVSTYTE-HNNXBMFYSA-N 2 1 325.478 1.463 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000423884425 446741881 /nfs/dbraw/zinc/74/18/81/446741881.db2.gz WEQCXOJMZNEJFP-KZNAEPCWSA-N 2 1 331.460 1.126 20 0 EDADMP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CCCO1 ZINC000424019487 446826295 /nfs/dbraw/zinc/82/62/95/446826295.db2.gz KEXHQNUZWQLTCB-QZTJIDSGSA-N 2 1 331.460 1.617 20 0 EDADMP Cc1ccc(N2CCC(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)[nH+]c1 ZINC000368386248 446829206 /nfs/dbraw/zinc/82/92/06/446829206.db2.gz VMFCMIPNTOLNOB-IRXDYDNUSA-N 2 1 328.460 1.817 20 0 EDADMP CCCCCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425047 446847502 /nfs/dbraw/zinc/84/75/02/446847502.db2.gz QSXADLKBLFBKFR-FUHWJXTLSA-N 2 1 338.540 1.782 20 0 EDADMP CCCCCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425047 446847512 /nfs/dbraw/zinc/84/75/12/446847512.db2.gz QSXADLKBLFBKFR-FUHWJXTLSA-N 2 1 338.540 1.782 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000368421018 446852329 /nfs/dbraw/zinc/85/23/29/446852329.db2.gz BCKUWMHFVGGHBS-QFBILLFUSA-N 2 1 345.487 1.782 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000368421018 446852335 /nfs/dbraw/zinc/85/23/35/446852335.db2.gz BCKUWMHFVGGHBS-QFBILLFUSA-N 2 1 345.487 1.782 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCO[C@H]3CCCCO3)C2)CC1 ZINC000368439265 446863680 /nfs/dbraw/zinc/86/36/80/446863680.db2.gz SLWCBTZRGPMAHT-ROUUACIJSA-N 2 1 325.497 1.630 20 0 EDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424381827 446869147 /nfs/dbraw/zinc/86/91/47/446869147.db2.gz ZQPUZUGTPOAPAI-CYZMBNFOSA-N 2 1 328.254 1.859 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419020935 446871500 /nfs/dbraw/zinc/87/15/00/446871500.db2.gz GLNPZYLTBJHHHZ-BFYDXBDKSA-N 2 1 346.475 1.039 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000424451357 446873046 /nfs/dbraw/zinc/87/30/46/446873046.db2.gz BGCBQXGARKKKRN-MRXNPFEDSA-N 2 1 332.448 1.191 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000424451357 446873052 /nfs/dbraw/zinc/87/30/52/446873052.db2.gz BGCBQXGARKKKRN-MRXNPFEDSA-N 2 1 332.448 1.191 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419029289 446874674 /nfs/dbraw/zinc/87/46/74/446874674.db2.gz RLUFQZLSAOMTHE-GJZGRUSLSA-N 2 1 338.496 1.001 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000377043054 446880249 /nfs/dbraw/zinc/88/02/49/446880249.db2.gz DKRKRMQRJWYWMM-KRWDZBQOSA-N 2 1 334.464 1.629 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H]4COC[C@H]4C3)CC2)CC1 ZINC000620132004 450437010 /nfs/dbraw/zinc/43/70/10/450437010.db2.gz FGBQURIGOYVKST-QZTJIDSGSA-N 2 1 349.519 1.678 20 0 EDADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1(O)CCOCC1 ZINC000420924411 446894721 /nfs/dbraw/zinc/89/47/21/446894721.db2.gz SMRKEDYKVHZVJB-UHFFFAOYSA-N 2 1 334.460 1.492 20 0 EDADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1(O)CCOCC1 ZINC000420924411 446894727 /nfs/dbraw/zinc/89/47/27/446894727.db2.gz SMRKEDYKVHZVJB-UHFFFAOYSA-N 2 1 334.460 1.492 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C2CCCCCC2)C1 ZINC000371522472 446912101 /nfs/dbraw/zinc/91/21/01/446912101.db2.gz UILMFECCLFILSP-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000371522472 446912110 /nfs/dbraw/zinc/91/21/10/446912110.db2.gz UILMFECCLFILSP-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000371522472 446912116 /nfs/dbraw/zinc/91/21/16/446912116.db2.gz UILMFECCLFILSP-MRXNPFEDSA-N 2 1 340.512 1.661 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419100470 446924700 /nfs/dbraw/zinc/92/47/00/446924700.db2.gz BUXUKROWORKHMY-OIISXLGYSA-N 2 1 346.475 1.009 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C2)c1 ZINC000368502395 446903084 /nfs/dbraw/zinc/90/30/84/446903084.db2.gz GMDUNPHUQWHQEG-HOTGVXAUSA-N 2 1 337.489 1.949 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C2)c1 ZINC000368502395 446903092 /nfs/dbraw/zinc/90/30/92/446903092.db2.gz GMDUNPHUQWHQEG-HOTGVXAUSA-N 2 1 337.489 1.949 20 0 EDADMP CC[N@H+]1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)[C@H](C)C1 ZINC000412339924 446941302 /nfs/dbraw/zinc/94/13/02/446941302.db2.gz QDPFFNRVRCUSPE-GDBMZVCRSA-N 2 1 325.522 1.757 20 0 EDADMP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368550186 446938804 /nfs/dbraw/zinc/93/88/04/446938804.db2.gz XREDNHCXSDVEMH-HZPDHXFCSA-N 2 1 334.464 1.980 20 0 EDADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000420972932 446942573 /nfs/dbraw/zinc/94/25/73/446942573.db2.gz MNXZFPQILAVSOD-PMACEKPBSA-N 2 1 345.487 1.424 20 0 EDADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000420972932 446942576 /nfs/dbraw/zinc/94/25/76/446942576.db2.gz MNXZFPQILAVSOD-PMACEKPBSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000442753251 446952646 /nfs/dbraw/zinc/95/26/46/446952646.db2.gz GEYGLBKTRAULOW-CHWSQXEVSA-N 2 1 332.473 1.624 20 0 EDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000442753251 446952649 /nfs/dbraw/zinc/95/26/49/446952649.db2.gz GEYGLBKTRAULOW-CHWSQXEVSA-N 2 1 332.473 1.624 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442756083 446953348 /nfs/dbraw/zinc/95/33/48/446953348.db2.gz DMSBGTSOEUBWQD-RDJZCZTQSA-N 2 1 333.476 1.802 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442756083 446953355 /nfs/dbraw/zinc/95/33/55/446953355.db2.gz DMSBGTSOEUBWQD-RDJZCZTQSA-N 2 1 333.476 1.802 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000442756082 446953926 /nfs/dbraw/zinc/95/39/26/446953926.db2.gz DMSBGTSOEUBWQD-NVXWUHKLSA-N 2 1 333.476 1.802 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000442756082 446953930 /nfs/dbraw/zinc/95/39/30/446953930.db2.gz DMSBGTSOEUBWQD-NVXWUHKLSA-N 2 1 333.476 1.802 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000371773539 446961767 /nfs/dbraw/zinc/96/17/67/446961767.db2.gz RSFBMHCETDTCJT-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C)C[NH+]1CCOCC1 ZINC000371773539 446961773 /nfs/dbraw/zinc/96/17/73/446961773.db2.gz RSFBMHCETDTCJT-IXDOHACOSA-N 2 1 338.496 1.223 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1F ZINC000442784961 446967664 /nfs/dbraw/zinc/96/76/64/446967664.db2.gz SRDVMOVKPWUOFB-IPYPFGDCSA-N 2 1 337.439 1.850 20 0 EDADMP C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000372108982 447005775 /nfs/dbraw/zinc/00/57/75/447005775.db2.gz VPRSWGOPLIQNFB-CQSZACIVSA-N 2 1 332.448 1.258 20 0 EDADMP C[N@@H+](C[C@H]1CCS(=O)(=O)C1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000375730540 447008375 /nfs/dbraw/zinc/00/83/75/447008375.db2.gz JRHVCLWYMZFQTN-MRXNPFEDSA-N 2 1 337.489 1.665 20 0 EDADMP COC(=O)c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cn1C ZINC000375744029 447016434 /nfs/dbraw/zinc/01/64/34/447016434.db2.gz QBIUDUSEXLYIDT-CQSZACIVSA-N 2 1 335.448 1.402 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000372146601 447018859 /nfs/dbraw/zinc/01/88/59/447018859.db2.gz NJJJUJUMMSUXMP-WBVHZDCISA-N 2 1 338.496 1.223 20 0 EDADMP CC[C@H](COC)NC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372173042 447021922 /nfs/dbraw/zinc/02/19/22/447021922.db2.gz NSCOWJQMNKAWEM-GDBMZVCRSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@H](COC)NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372173042 447021930 /nfs/dbraw/zinc/02/19/30/447021930.db2.gz NSCOWJQMNKAWEM-GDBMZVCRSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@H]1CC[C@@H](O)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000421022708 446992675 /nfs/dbraw/zinc/99/26/75/446992675.db2.gz QOFGNCCDTGLBQH-QFBILLFUSA-N 2 1 345.487 1.744 20 0 EDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000443059597 447002813 /nfs/dbraw/zinc/00/28/13/447002813.db2.gz NEVUYIPMICXZEQ-AWEZNQCLSA-N 2 1 339.867 1.896 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2cnc3n2CCCC3)CC[N@H+]1CC(C)(C)O ZINC000377301510 447050165 /nfs/dbraw/zinc/05/01/65/447050165.db2.gz SAGKOZLTWKCHOQ-CQSZACIVSA-N 2 1 349.479 1.206 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000368712544 447060080 /nfs/dbraw/zinc/06/00/80/447060080.db2.gz OQMAPWWTVPWMGJ-BRWVUGGUSA-N 2 1 345.491 1.897 20 0 EDADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000368712545 447060197 /nfs/dbraw/zinc/06/01/97/447060197.db2.gz OQMAPWWTVPWMGJ-IKGGRYGDSA-N 2 1 345.491 1.897 20 0 EDADMP C[C@@H](NC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)C1=CC[NH+](C)CC1 ZINC000368720008 447065319 /nfs/dbraw/zinc/06/53/19/447065319.db2.gz UMYHYLPYGSBJSW-OAHLLOKOSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@@H](NC(=O)N1CCC[NH+](CC(C)(C)O)CC1)C1=CC[N@H+](C)CC1 ZINC000368720008 447065323 /nfs/dbraw/zinc/06/53/23/447065323.db2.gz UMYHYLPYGSBJSW-OAHLLOKOSA-N 2 1 338.496 1.125 20 0 EDADMP C[C@@H](NC(=O)N1CCC[NH+](CC(C)(C)O)CC1)C1=CC[N@@H+](C)CC1 ZINC000368720008 447065328 /nfs/dbraw/zinc/06/53/28/447065328.db2.gz UMYHYLPYGSBJSW-OAHLLOKOSA-N 2 1 338.496 1.125 20 0 EDADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C1(C)C ZINC000375873071 447113735 /nfs/dbraw/zinc/11/37/35/447113735.db2.gz OATGNCCQKFMHHK-FGTMMUONSA-N 2 1 339.524 1.575 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)c1 ZINC000368808827 447123138 /nfs/dbraw/zinc/12/31/38/447123138.db2.gz CIPQCLJVZDSQHO-BXWFABGCSA-N 2 1 342.443 1.074 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)c1 ZINC000368808827 447123143 /nfs/dbraw/zinc/12/31/43/447123143.db2.gz CIPQCLJVZDSQHO-BXWFABGCSA-N 2 1 342.443 1.074 20 0 EDADMP CCN1CCC[C@@H](C[N@@H+](C)CCn2cncn2)[C@@H]1c1cnn(C)c1 ZINC000377368714 447093180 /nfs/dbraw/zinc/09/31/80/447093180.db2.gz KSMRFFFYYSWCFE-DOTOQJQBSA-N 2 1 331.468 1.417 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000413321558 447140004 /nfs/dbraw/zinc/14/00/04/447140004.db2.gz GGYHORACEGLYKQ-QGZVFWFLSA-N 2 1 330.476 1.479 20 0 EDADMP COC(=O)c1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)oc1C ZINC000375908767 447141968 /nfs/dbraw/zinc/14/19/68/447141968.db2.gz YLVLPQAZZGBZSI-MRXNPFEDSA-N 2 1 349.475 1.975 20 0 EDADMP COC(=O)c1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)oc1C ZINC000375908767 447141970 /nfs/dbraw/zinc/14/19/70/447141970.db2.gz YLVLPQAZZGBZSI-MRXNPFEDSA-N 2 1 349.475 1.975 20 0 EDADMP CC1CC[NH+](CCCNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000419398801 447150262 /nfs/dbraw/zinc/15/02/62/447150262.db2.gz HTZLPPGEOKEMAA-IRXDYDNUSA-N 2 1 340.512 1.205 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445862411 447199887 /nfs/dbraw/zinc/19/98/87/447199887.db2.gz PWJVLOPZDXVBBL-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP c1cn([C@@H]2CCCN(CCC[N@H+]3CCC[C@H](n4ccnn4)C3)C2)nn1 ZINC000425508874 447201370 /nfs/dbraw/zinc/20/13/70/447201370.db2.gz NWWNBYKLXWXNMP-CALCHBBNSA-N 2 1 344.467 1.234 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419480236 447211752 /nfs/dbraw/zinc/21/17/52/447211752.db2.gz MYUMAJUNRIUVTH-BZUAXINKSA-N 2 1 338.496 1.143 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369047053 447286221 /nfs/dbraw/zinc/28/62/21/447286221.db2.gz KRUBLUYIJKECLL-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000458707003 447457577 /nfs/dbraw/zinc/45/75/77/447457577.db2.gz OFQVCOQKYOAOHG-DLBZAZTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000458707003 447457581 /nfs/dbraw/zinc/45/75/81/447457581.db2.gz OFQVCOQKYOAOHG-DLBZAZTESA-N 2 1 338.496 1.149 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CCCO)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000458707003 447457585 /nfs/dbraw/zinc/45/75/85/447457585.db2.gz OFQVCOQKYOAOHG-DLBZAZTESA-N 2 1 338.496 1.149 20 0 EDADMP C[C@H](c1ccccc1)[C@H](O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000450503482 447508935 /nfs/dbraw/zinc/50/89/35/447508935.db2.gz RSIWORFEMDUDLU-NZSAHSFTSA-N 2 1 345.487 1.389 20 0 EDADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000450503482 447508941 /nfs/dbraw/zinc/50/89/41/447508941.db2.gz RSIWORFEMDUDLU-NZSAHSFTSA-N 2 1 345.487 1.389 20 0 EDADMP C[NH+]1CCN(c2cc(C(=O)NCC[N@H+]3CCCC3(C)C)ccn2)CC1 ZINC000457069243 447509744 /nfs/dbraw/zinc/50/97/44/447509744.db2.gz FDHXMEOBJNOBLD-UHFFFAOYSA-N 2 1 345.491 1.438 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000457525758 447588992 /nfs/dbraw/zinc/58/89/92/447588992.db2.gz FIWBEJJSTFDWNF-UHFFFAOYSA-N 2 1 339.528 1.188 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000416245973 447548795 /nfs/dbraw/zinc/54/87/95/447548795.db2.gz YYMXCAVBKWPPIO-ROUUACIJSA-N 2 1 333.476 1.642 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427179251 447558642 /nfs/dbraw/zinc/55/86/42/447558642.db2.gz PQMBRYPFYDVKOX-MSOLQXFVSA-N 2 1 337.508 1.964 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1CC[NH3+] ZINC000404300860 447598712 /nfs/dbraw/zinc/59/87/12/447598712.db2.gz ZDENXBOKOIXUQY-RHSMWYFYSA-N 2 1 339.505 1.886 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000457567880 447599885 /nfs/dbraw/zinc/59/98/85/447599885.db2.gz FIFGEAJIHYDWHO-IXDOHACOSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000457567880 447599888 /nfs/dbraw/zinc/59/98/88/447599888.db2.gz FIFGEAJIHYDWHO-IXDOHACOSA-N 2 1 340.512 1.610 20 0 EDADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000457567880 447599893 /nfs/dbraw/zinc/59/98/93/447599893.db2.gz FIFGEAJIHYDWHO-IXDOHACOSA-N 2 1 340.512 1.610 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1C[C@@H](C)O ZINC000459164327 447602171 /nfs/dbraw/zinc/60/21/71/447602171.db2.gz RCWAXFBDLIQEGK-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1C[C@@H](C)O ZINC000459164327 447602176 /nfs/dbraw/zinc/60/21/76/447602176.db2.gz RCWAXFBDLIQEGK-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP CC[C@@H]1CN(C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1C[C@@H](C)O ZINC000459164327 447602183 /nfs/dbraw/zinc/60/21/83/447602183.db2.gz RCWAXFBDLIQEGK-HZPDHXFCSA-N 2 1 340.512 1.347 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457759100 447626982 /nfs/dbraw/zinc/62/69/82/447626982.db2.gz VMTYMXFXNUAEFO-UHFFFAOYSA-N 2 1 345.491 1.770 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495908814 447634632 /nfs/dbraw/zinc/63/46/32/447634632.db2.gz FLHAJTWWIYWEBF-JKSUJKDBSA-N 2 1 343.512 1.878 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495908814 447634652 /nfs/dbraw/zinc/63/46/52/447634652.db2.gz FLHAJTWWIYWEBF-JKSUJKDBSA-N 2 1 343.512 1.878 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495908814 447634658 /nfs/dbraw/zinc/63/46/58/447634658.db2.gz FLHAJTWWIYWEBF-JKSUJKDBSA-N 2 1 343.512 1.878 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC(C)(C)CC[NH3+] ZINC000422600463 447664136 /nfs/dbraw/zinc/66/41/36/447664136.db2.gz UMHLCDRHZWSEKL-HNNXBMFYSA-N 2 1 348.495 1.019 20 0 EDADMP CCOC(=O)c1ncn(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)c1N ZINC000459436586 447666268 /nfs/dbraw/zinc/66/62/68/447666268.db2.gz YLUSXMKKNAKUTM-CQSZACIVSA-N 2 1 349.479 1.763 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000416915173 447707452 /nfs/dbraw/zinc/70/74/52/447707452.db2.gz GQDWMPVGJNBSDD-KBPBESRZSA-N 2 1 328.501 1.691 20 0 EDADMP O[C@H]1C[C@@H](CNC2CC[NH+](C3CC3)CC2)[N@@H+](Cc2ccccc2)C1 ZINC000459452588 447670647 /nfs/dbraw/zinc/67/06/47/447670647.db2.gz MFZOBVSUVOYJJF-PMACEKPBSA-N 2 1 329.488 1.838 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422626203 447675297 /nfs/dbraw/zinc/67/52/97/447675297.db2.gz DJQFSZBBAUZMJW-ZACQAIPSSA-N 2 1 333.476 1.795 20 0 EDADMP Cc1cccc(OCCNC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422626203 447675306 /nfs/dbraw/zinc/67/53/06/447675306.db2.gz DJQFSZBBAUZMJW-ZACQAIPSSA-N 2 1 333.476 1.795 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)C[NH+]1CCCCC1 ZINC000457958589 447684835 /nfs/dbraw/zinc/68/48/35/447684835.db2.gz ZKNHOGJEHFTJFJ-DLBZAZTESA-N 2 1 340.512 1.254 20 0 EDADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000416759189 447684873 /nfs/dbraw/zinc/68/48/73/447684873.db2.gz MIWKGTPQUDGTTQ-GJZGRUSLSA-N 2 1 334.464 1.667 20 0 EDADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+]1CCC(C)CC1 ZINC000458055093 447710607 /nfs/dbraw/zinc/71/06/07/447710607.db2.gz VEEDZFYEODCAAU-IRXDYDNUSA-N 2 1 340.512 1.253 20 0 EDADMP CC(C)C[C@@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000416939438 447715586 /nfs/dbraw/zinc/71/55/86/447715586.db2.gz MVECIAFVWBKNOI-WMZOPIPTSA-N 2 1 340.512 1.422 20 0 EDADMP C[NH+](C)CCOc1ccccc1CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422833931 447763757 /nfs/dbraw/zinc/76/37/57/447763757.db2.gz ZESWQGJRAOFXJM-OALUTQOASA-N 2 1 333.476 1.484 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416944612 447720027 /nfs/dbraw/zinc/72/00/27/447720027.db2.gz DEODNFMVDSYBAK-QGZVFWFLSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416946058 447721629 /nfs/dbraw/zinc/72/16/29/447721629.db2.gz WRNJUGJGUZMIGR-GVDBMIGSSA-N 2 1 340.512 1.550 20 0 EDADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)C2)cc1 ZINC000422714737 447725176 /nfs/dbraw/zinc/72/51/76/447725176.db2.gz LKTVEVJDEAWHFE-GIVPXCGWSA-N 2 1 343.515 1.908 20 0 EDADMP c1ccc(CC[N@@H+]2CC[C@H](CN[C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000422714737 447725178 /nfs/dbraw/zinc/72/51/78/447725178.db2.gz LKTVEVJDEAWHFE-GIVPXCGWSA-N 2 1 343.515 1.908 20 0 EDADMP c1ccc(CC[N@H+]2CC[C@H](CN[C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000422714737 447725185 /nfs/dbraw/zinc/72/51/85/447725185.db2.gz LKTVEVJDEAWHFE-GIVPXCGWSA-N 2 1 343.515 1.908 20 0 EDADMP C[NH2+]CCC1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000416956948 447726193 /nfs/dbraw/zinc/72/61/93/447726193.db2.gz WSSYFFDPURDVCV-IYBDPMFKSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422722587 447728633 /nfs/dbraw/zinc/72/86/33/447728633.db2.gz PHCSHACWQFLTTK-UKRRQHHQSA-N 2 1 339.505 1.980 20 0 EDADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000422738890 447733643 /nfs/dbraw/zinc/73/36/43/447733643.db2.gz KGORIFYOAPJUSN-SZMVWBNQSA-N 2 1 332.492 1.122 20 0 EDADMP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCN(C)CC1 ZINC000422737857 447734533 /nfs/dbraw/zinc/73/45/33/447734533.db2.gz IQNLFCOQYLMOBB-KPFFTGBYSA-N 2 1 344.503 1.468 20 0 EDADMP C[C@H]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@H]1C[NH3+] ZINC000417272480 447740254 /nfs/dbraw/zinc/74/02/54/447740254.db2.gz RBPBMDKRJQPJGY-DZGCQCFKSA-N 2 1 336.505 1.733 20 0 EDADMP C[C@H]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@H]1C[NH3+] ZINC000417272480 447740256 /nfs/dbraw/zinc/74/02/56/447740256.db2.gz RBPBMDKRJQPJGY-DZGCQCFKSA-N 2 1 336.505 1.733 20 0 EDADMP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)Cn1ccnn1 ZINC000459695441 447742214 /nfs/dbraw/zinc/74/22/14/447742214.db2.gz KRCCFYNUYTZDGF-NCXUSEDFSA-N 2 1 341.459 1.139 20 0 EDADMP CN(C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C(=O)OC(C)(C)C ZINC000496218130 447744230 /nfs/dbraw/zinc/74/42/30/447744230.db2.gz MGBNTZUAWSPVCU-QAPCUYQASA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C(=O)OC(C)(C)C ZINC000496218130 447744234 /nfs/dbraw/zinc/74/42/34/447744234.db2.gz MGBNTZUAWSPVCU-QAPCUYQASA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C(=O)OC(C)(C)C ZINC000496218130 447744239 /nfs/dbraw/zinc/74/42/39/447744239.db2.gz MGBNTZUAWSPVCU-QAPCUYQASA-N 2 1 341.496 1.632 20 0 EDADMP CN(C[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C(=O)OC(C)(C)C ZINC000496218130 447744240 /nfs/dbraw/zinc/74/42/40/447744240.db2.gz MGBNTZUAWSPVCU-QAPCUYQASA-N 2 1 341.496 1.632 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000458226017 447749654 /nfs/dbraw/zinc/74/96/54/447749654.db2.gz BYJUPDHWMFBRFI-QGZVFWFLSA-N 2 1 340.512 1.611 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCN1CCN(Cc2ccccc2)CC1 ZINC000422827730 447761942 /nfs/dbraw/zinc/76/19/42/447761942.db2.gz FGSPLQSBQBNKIE-VQTJNVASSA-N 2 1 330.520 1.911 20 0 EDADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422950012 447778414 /nfs/dbraw/zinc/77/84/14/447778414.db2.gz WZLNDUSXLADHDP-GUDVDZBRSA-N 2 1 345.487 1.782 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)C(C)(C)C[NH3+])[C@@H](c2ccccc2)C1 ZINC000431022070 447789678 /nfs/dbraw/zinc/78/96/78/447789678.db2.gz MBDYLJFVWDXSCD-QGZVFWFLSA-N 2 1 332.492 1.466 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)C(C)(C)C[NH3+])[C@@H](c2ccccc2)C1 ZINC000431022070 447789682 /nfs/dbraw/zinc/78/96/82/447789682.db2.gz MBDYLJFVWDXSCD-QGZVFWFLSA-N 2 1 332.492 1.466 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)C(C)(C)C[NH3+])[C@@H](c2ccccc2)C1 ZINC000431022070 447789685 /nfs/dbraw/zinc/78/96/85/447789685.db2.gz MBDYLJFVWDXSCD-QGZVFWFLSA-N 2 1 332.492 1.466 20 0 EDADMP CCOC1CC(C[NH2+][C@H](CC)[C@@H]2CCCC[NH2+]2)(N2CCOCC2)C1 ZINC000423078987 447800579 /nfs/dbraw/zinc/80/05/79/447800579.db2.gz XDCOJRRAVBMGQW-IAFLDTSXSA-N 2 1 339.524 1.767 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487580474 447834260 /nfs/dbraw/zinc/83/42/60/447834260.db2.gz ZFKIKDHNQGBAKQ-IAGOWNOFSA-N 2 1 340.512 1.395 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@@H+]1CCc2ccccc2C1 ZINC000452377646 447819514 /nfs/dbraw/zinc/81/95/14/447819514.db2.gz RNKYAECLVNHIKU-LPHOPBHVSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@H+]1CCc2ccccc2C1 ZINC000452377646 447819515 /nfs/dbraw/zinc/81/95/15/447819515.db2.gz RNKYAECLVNHIKU-LPHOPBHVSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1CCc2ccccc2C1 ZINC000452377646 447819518 /nfs/dbraw/zinc/81/95/18/447819518.db2.gz RNKYAECLVNHIKU-LPHOPBHVSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1CCc2ccccc2C1 ZINC000452377646 447819520 /nfs/dbraw/zinc/81/95/20/447819520.db2.gz RNKYAECLVNHIKU-LPHOPBHVSA-N 2 1 345.487 1.396 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[NH+]1CCCC1 ZINC000523353915 447881974 /nfs/dbraw/zinc/88/19/74/447881974.db2.gz HETIRKRAIPYWFJ-WMZOPIPTSA-N 2 1 330.476 1.894 20 0 EDADMP O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000569843155 447904184 /nfs/dbraw/zinc/90/41/84/447904184.db2.gz MOMPFBTXWZZAPM-SJLPKXTDSA-N 2 1 330.476 1.800 20 0 EDADMP COc1ccc(C[N@H+](CCO)CCCc2c[nH+]cn2C)c(OC)c1 ZINC000575812129 447904576 /nfs/dbraw/zinc/90/45/76/447904576.db2.gz IWNGINUVBJUUFN-UHFFFAOYSA-N 2 1 333.432 1.864 20 0 EDADMP COc1ccc(C[N@@H+](CCO)CCCc2c[nH+]cn2C)c(OC)c1 ZINC000575812129 447904580 /nfs/dbraw/zinc/90/45/80/447904580.db2.gz IWNGINUVBJUUFN-UHFFFAOYSA-N 2 1 333.432 1.864 20 0 EDADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000524720420 447942241 /nfs/dbraw/zinc/94/22/41/447942241.db2.gz PSNWZXXTUMYEKE-IEBWSBKVSA-N 2 1 344.503 1.433 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000524720420 447942246 /nfs/dbraw/zinc/94/22/46/447942246.db2.gz PSNWZXXTUMYEKE-IEBWSBKVSA-N 2 1 344.503 1.433 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000524786081 447954088 /nfs/dbraw/zinc/95/40/88/447954088.db2.gz CXWUSZMNULUTPB-IRXDYDNUSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000524786081 447954092 /nfs/dbraw/zinc/95/40/92/447954092.db2.gz CXWUSZMNULUTPB-IRXDYDNUSA-N 2 1 339.528 1.138 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000524786081 447954097 /nfs/dbraw/zinc/95/40/97/447954097.db2.gz CXWUSZMNULUTPB-IRXDYDNUSA-N 2 1 339.528 1.138 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+]1CCOC[C@H](C3CCC3)C1)C[NH+]1CCC2CC1 ZINC000497177221 447925446 /nfs/dbraw/zinc/92/54/46/447925446.db2.gz KFAMRVOTEHINQX-VQIMIIECSA-N 2 1 349.475 1.609 20 0 EDADMP O=C1O[C@@]2(CN1C[N@H+]1CCOC[C@H](C3CCC3)C1)C[NH+]1CCC2CC1 ZINC000497177221 447925450 /nfs/dbraw/zinc/92/54/50/447925450.db2.gz KFAMRVOTEHINQX-VQIMIIECSA-N 2 1 349.475 1.609 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccnn3-c3ccccc3)C2)nn1 ZINC000576368601 448039813 /nfs/dbraw/zinc/03/98/13/448039813.db2.gz FCPDYLIUMRZTQT-KRWDZBQOSA-N 2 1 337.431 1.760 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccnn3-c3ccccc3)C2)nn1 ZINC000576368601 448039816 /nfs/dbraw/zinc/03/98/16/448039816.db2.gz FCPDYLIUMRZTQT-KRWDZBQOSA-N 2 1 337.431 1.760 20 0 EDADMP C[N@@H+](CCC(=O)N[C@H](CO)C[NH+]1CCCCC1)C1CCCCC1 ZINC000576447019 448055260 /nfs/dbraw/zinc/05/52/60/448055260.db2.gz JBOSIKNQZBDFLY-INIZCTEOSA-N 2 1 325.497 1.604 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000512430739 448156462 /nfs/dbraw/zinc/15/64/62/448156462.db2.gz UIQADMYDCVPAEU-ULQDDVLXSA-N 2 1 340.512 1.347 20 0 EDADMP CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531660787 448124938 /nfs/dbraw/zinc/12/49/38/448124938.db2.gz RMYSBKOUOVXDHJ-HZPDHXFCSA-N 2 1 326.485 1.269 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531660787 448124941 /nfs/dbraw/zinc/12/49/41/448124941.db2.gz RMYSBKOUOVXDHJ-HZPDHXFCSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)C[N@H+]1Cc1ccccc1 ZINC000571625459 448181233 /nfs/dbraw/zinc/18/12/33/448181233.db2.gz CSOJQAIPNJHKDI-KBAYOESNSA-N 2 1 346.475 1.327 20 0 EDADMP CC1(C)COCCN1CCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000576897608 448165435 /nfs/dbraw/zinc/16/54/35/448165435.db2.gz MTMDCSABTVPUBX-INIZCTEOSA-N 2 1 338.496 1.413 20 0 EDADMP C[C@@H](Cc1c[nH]cn1)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000577191036 448233058 /nfs/dbraw/zinc/23/30/58/448233058.db2.gz YPJYQVFMINAEAO-GUYCJALGSA-N 2 1 328.416 1.794 20 0 EDADMP C[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000577191036 448233067 /nfs/dbraw/zinc/23/30/67/448233067.db2.gz YPJYQVFMINAEAO-GUYCJALGSA-N 2 1 328.416 1.794 20 0 EDADMP C[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000577191036 448233075 /nfs/dbraw/zinc/23/30/75/448233075.db2.gz YPJYQVFMINAEAO-GUYCJALGSA-N 2 1 328.416 1.794 20 0 EDADMP CCC[NH+]1CCC([NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000532220181 448217308 /nfs/dbraw/zinc/21/73/08/448217308.db2.gz OINWTMGMPFPZNX-IBGZPJMESA-N 2 1 344.459 1.705 20 0 EDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000492694847 448261557 /nfs/dbraw/zinc/26/15/57/448261557.db2.gz FERSMYQUZZPITR-QLFBSQMISA-N 2 1 329.485 1.725 20 0 EDADMP CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000591272372 448302942 /nfs/dbraw/zinc/30/29/42/448302942.db2.gz CALRFIHJUPSFHZ-HZPDHXFCSA-N 2 1 339.480 1.239 20 0 EDADMP [NH3+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCC1 ZINC000515382879 448305206 /nfs/dbraw/zinc/30/52/06/448305206.db2.gz DKNUPIHKKYTWLU-ZWKOTPCHSA-N 2 1 330.476 1.927 20 0 EDADMP C[N@H+]1CCC[C@@H](CCNC(=O)NCCN2CCOC(C)(C)C2)C1 ZINC000572364369 448358152 /nfs/dbraw/zinc/35/81/52/448358152.db2.gz RIPIKSGIGWELBF-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP Cc1cc(NC(=O)NCC[N@@H+]2CC=CCC2)n(C2CC[NH+](C)CC2)n1 ZINC000577697584 448359566 /nfs/dbraw/zinc/35/95/66/448359566.db2.gz ZRFILBCRVFRAPP-UHFFFAOYSA-N 2 1 346.479 1.842 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000591456236 448370826 /nfs/dbraw/zinc/37/08/26/448370826.db2.gz GYXMGFAICWUJJR-QZTJIDSGSA-N 2 1 330.476 1.043 20 0 EDADMP Cc1cc(NC(=O)CC[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000515637693 448336866 /nfs/dbraw/zinc/33/68/66/448336866.db2.gz CSBSMDPFSDTDOB-KRWDZBQOSA-N 2 1 342.443 2.423 20 0 EDADMP O=C(CC[NH+]1CCC2(CC[NH2+]2)CC1)NC(=O)NCc1ccccc1 ZINC000591563322 448391344 /nfs/dbraw/zinc/39/13/44/448391344.db2.gz SKDNXDLADSNOOG-UHFFFAOYSA-N 2 1 330.432 1.230 20 0 EDADMP CN(C)C(=O)c1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000572524383 448401090 /nfs/dbraw/zinc/40/10/90/448401090.db2.gz KAIVOHRDKHCXCH-QGZVFWFLSA-N 2 1 331.460 1.576 20 0 EDADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000578039195 448447061 /nfs/dbraw/zinc/44/70/61/448447061.db2.gz DPYBSTWVGGNGIN-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)C2)C1 ZINC000566459767 448479732 /nfs/dbraw/zinc/47/97/32/448479732.db2.gz BKBXLOBJPLIPPY-AEFFLSMTSA-N 2 1 337.533 1.758 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(CC)COC3)CC2)CC1 ZINC000566466307 448482454 /nfs/dbraw/zinc/48/24/54/448482454.db2.gz OCERKQIQWKIERU-UHFFFAOYSA-N 2 1 337.508 1.726 20 0 EDADMP C[N@@H+](CCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C1CCCC1 ZINC000535761094 448503297 /nfs/dbraw/zinc/50/32/97/448503297.db2.gz IAOMCTSJSPMCBF-UHFFFAOYSA-N 2 1 345.491 1.438 20 0 EDADMP C[C@H](CC(=O)NC1CCN(c2[nH+]ccn2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000566618775 448522262 /nfs/dbraw/zinc/52/22/62/448522262.db2.gz FNOWVPXBXFWTLH-HUUCEWRRSA-N 2 1 333.480 1.531 20 0 EDADMP C[C@@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000578354608 448527289 /nfs/dbraw/zinc/52/72/89/448527289.db2.gz PQEUQTSNJNIECL-PBQKYUHESA-N 2 1 348.491 1.750 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000517234485 448558588 /nfs/dbraw/zinc/55/85/88/448558588.db2.gz JVYVYDOJKCFRCI-BQFCYCMXSA-N 2 1 332.492 1.976 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])CC(F)F)cc2)CC1 ZINC000578503175 448563798 /nfs/dbraw/zinc/56/37/98/448563798.db2.gz LFZAMYIBLLGMHD-CQSZACIVSA-N 2 1 326.391 1.355 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CS(=O)(=O)CCO2)cc1 ZINC000537949442 448575722 /nfs/dbraw/zinc/57/57/22/448575722.db2.gz FZGSWJOHCXTEQC-SUMWQHHRSA-N 2 1 349.456 1.645 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)CCc1ccccc1 ZINC000573111301 448545484 /nfs/dbraw/zinc/54/54/84/448545484.db2.gz QKJYANWTMXRYIJ-RTBURBONSA-N 2 1 347.503 1.512 20 0 EDADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)CCc1ccccc1 ZINC000573111301 448545492 /nfs/dbraw/zinc/54/54/92/448545492.db2.gz QKJYANWTMXRYIJ-RTBURBONSA-N 2 1 347.503 1.512 20 0 EDADMP CN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(F)cc1 ZINC000566745209 448550451 /nfs/dbraw/zinc/55/04/51/448550451.db2.gz HALZMBIQCLVXRK-YIONKMFJSA-N 2 1 341.452 1.319 20 0 EDADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)NCC1=CC[NH2+]CC1 ZINC000517720944 448608253 /nfs/dbraw/zinc/60/82/53/448608253.db2.gz UVISZTVPOIUIQF-MRXNPFEDSA-N 2 1 330.432 1.271 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccc(OCC(F)F)cc3)CCN2C1=O ZINC000573339532 448604005 /nfs/dbraw/zinc/60/40/05/448604005.db2.gz NXHGSDMYCDVHHN-TZMCWYRMSA-N 2 1 325.359 1.074 20 0 EDADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)CCN2C1=O ZINC000573339532 448604009 /nfs/dbraw/zinc/60/40/09/448604009.db2.gz NXHGSDMYCDVHHN-TZMCWYRMSA-N 2 1 325.359 1.074 20 0 EDADMP CCOC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CCO1 ZINC000528718638 448643397 /nfs/dbraw/zinc/64/33/97/448643397.db2.gz HLZASHXPJSZBQY-SJORKVTESA-N 2 1 347.459 1.751 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)CC1 ZINC000528785985 448675867 /nfs/dbraw/zinc/67/58/67/448675867.db2.gz FCEMVQULNFCJQW-QGZVFWFLSA-N 2 1 333.480 1.735 20 0 EDADMP Cn1cc(C[C@@H]2CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)cn1 ZINC000584783084 448631132 /nfs/dbraw/zinc/63/11/32/448631132.db2.gz LKRIFNRFCAMFFZ-WDSOQIARSA-N 2 1 328.460 1.215 20 0 EDADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000578988584 448687451 /nfs/dbraw/zinc/68/74/51/448687451.db2.gz OADYHFYLYWCIQD-HUUCEWRRSA-N 2 1 340.512 1.199 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H]([C@H](C)O)C3)CC2)CC1 ZINC000518741535 448704481 /nfs/dbraw/zinc/70/44/81/448704481.db2.gz ARUYGYBDEBEZIL-RDJZCZTQSA-N 2 1 337.508 1.412 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C[N@H+]1C1CC1 ZINC000579086612 448710156 /nfs/dbraw/zinc/71/01/56/448710156.db2.gz FOPOIZRCDIGKSP-GXTWGEPZSA-N 2 1 342.443 1.012 20 0 EDADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000567578316 448716736 /nfs/dbraw/zinc/71/67/36/448716736.db2.gz KMWUMLXZBJJQNL-GOSISDBHSA-N 2 1 345.491 1.782 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000592095622 448680317 /nfs/dbraw/zinc/68/03/17/448680317.db2.gz YDXRXRAVEFCIHB-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000592095622 448680318 /nfs/dbraw/zinc/68/03/18/448680318.db2.gz YDXRXRAVEFCIHB-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000592095622 448680321 /nfs/dbraw/zinc/68/03/21/448680321.db2.gz YDXRXRAVEFCIHB-MOPGFXCFSA-N 2 1 345.487 1.878 20 0 EDADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000592198298 448735669 /nfs/dbraw/zinc/73/56/69/448735669.db2.gz ORYDQYPJKYYCPS-NVXWUHKLSA-N 2 1 347.459 1.562 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000573902737 448740561 /nfs/dbraw/zinc/74/05/61/448740561.db2.gz DLOUSDSVYWUCII-VQTJNVASSA-N 2 1 349.494 1.829 20 0 EDADMP CO[C@H](C[NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000567754386 448752523 /nfs/dbraw/zinc/75/25/23/448752523.db2.gz SENWWKDQALPQKX-HUUCEWRRSA-N 2 1 325.840 1.567 20 0 EDADMP CNC(=O)c1ccc(CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)cc1 ZINC000579430664 448788119 /nfs/dbraw/zinc/78/81/19/448788119.db2.gz REDAZHBUSYLRIS-OAHLLOKOSA-N 2 1 331.460 1.731 20 0 EDADMP CNC(=O)c1ccc(CN2CCC([N@H+]3CCOC[C@H]3C)CC2)cc1 ZINC000579430664 448788126 /nfs/dbraw/zinc/78/81/26/448788126.db2.gz REDAZHBUSYLRIS-OAHLLOKOSA-N 2 1 331.460 1.731 20 0 EDADMP CC[N@H+]1CCCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000568191263 448832109 /nfs/dbraw/zinc/83/21/09/448832109.db2.gz CKFGJJVYIMEQIX-MRXNPFEDSA-N 2 1 325.522 1.758 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000574336901 448849044 /nfs/dbraw/zinc/84/90/44/448849044.db2.gz LTWHAKQKNPBHLE-OAHLLOKOSA-N 2 1 335.496 1.685 20 0 EDADMP C[C@@H](NC(=O)c1cnccc1N)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000568399565 448868268 /nfs/dbraw/zinc/86/82/68/448868268.db2.gz SSPWJIHVXZHBKN-RDTXWAMCSA-N 2 1 340.427 1.513 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(-n2ccnc2)nn1 ZINC000520968125 448941968 /nfs/dbraw/zinc/94/19/68/448941968.db2.gz WENFBZVDZSGCGW-GFCCVEGCSA-N 2 1 325.376 1.233 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2ccccc2N)CC1 ZINC000582065311 449002185 /nfs/dbraw/zinc/00/21/85/449002185.db2.gz HUYDFUFUJPLYMH-UHFFFAOYSA-N 2 1 339.443 1.987 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000569334476 449004103 /nfs/dbraw/zinc/00/41/03/449004103.db2.gz QJNBWTKIYLKUPC-UKRRQHHQSA-N 2 1 340.418 1.803 20 0 EDADMP C[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574999818 449010382 /nfs/dbraw/zinc/01/03/82/449010382.db2.gz NLUWSHZRKDQPSJ-LJQANCHMSA-N 2 1 344.503 1.262 20 0 EDADMP CN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000574999818 449010388 /nfs/dbraw/zinc/01/03/88/449010388.db2.gz NLUWSHZRKDQPSJ-LJQANCHMSA-N 2 1 344.503 1.262 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000569352886 449010820 /nfs/dbraw/zinc/01/08/20/449010820.db2.gz HQVOBYQTUHNXLO-INIZCTEOSA-N 2 1 347.503 1.708 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)COCc1ccccc1Cl ZINC000569363020 449013630 /nfs/dbraw/zinc/01/36/30/449013630.db2.gz WHCFZDJXEUFXIE-JKSUJKDBSA-N 2 1 342.867 1.264 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000521985234 449035906 /nfs/dbraw/zinc/03/59/06/449035906.db2.gz QCHGHCBGVHFWDZ-WQANXHIZSA-N 2 1 342.487 1.936 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592958025 449079456 /nfs/dbraw/zinc/07/94/56/449079456.db2.gz TXKKPGFEOOYLKN-HUUCEWRRSA-N 2 1 333.480 1.569 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592958177 449080194 /nfs/dbraw/zinc/08/01/94/449080194.db2.gz VFNQGGQTQQICNR-KFWWJZLASA-N 2 1 333.480 1.569 20 0 EDADMP [NH3+]CCCCn1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nn1 ZINC000521999065 449039258 /nfs/dbraw/zinc/03/92/58/449039258.db2.gz IAGPXENRMSYQCO-RHSMWYFYSA-N 2 1 346.479 1.106 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000522060293 449048429 /nfs/dbraw/zinc/04/84/29/449048429.db2.gz JZKFJDIOGQIZPD-MAUKXSAKSA-N 2 1 349.479 1.194 20 0 EDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000569618184 449058638 /nfs/dbraw/zinc/05/86/38/449058638.db2.gz CUIYRADXNQKTFQ-QWRGUYRKSA-N 2 1 338.839 1.579 20 0 EDADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592960289 449085471 /nfs/dbraw/zinc/08/54/71/449085471.db2.gz XENNWCIOHHCSNN-HUUCEWRRSA-N 2 1 342.447 1.701 20 0 EDADMP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000530225922 449087438 /nfs/dbraw/zinc/08/74/38/449087438.db2.gz YILKWFRZXZBGEZ-UHFFFAOYSA-N 2 1 346.475 1.236 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238740 449090764 /nfs/dbraw/zinc/09/07/64/449090764.db2.gz BNNKDKGJCYUCOT-INIZCTEOSA-N 2 1 349.479 1.066 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCOC)o1 ZINC000590116016 449108569 /nfs/dbraw/zinc/10/85/69/449108569.db2.gz RNAFCRSTFBJXAU-OAHLLOKOSA-N 2 1 337.464 1.962 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000606351006 449452294 /nfs/dbraw/zinc/45/22/94/449452294.db2.gz BTSDZYFRVKACRH-MRXNPFEDSA-N 2 1 332.448 1.401 20 0 EDADMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000606351006 449452303 /nfs/dbraw/zinc/45/23/03/449452303.db2.gz BTSDZYFRVKACRH-MRXNPFEDSA-N 2 1 332.448 1.401 20 0 EDADMP C[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)C1CC[NH+](C)CC1 ZINC000607246750 449591264 /nfs/dbraw/zinc/59/12/64/449591264.db2.gz QLSJFUPDWXGGRU-OAHLLOKOSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(C)(C)N3CCOCC3)C2)CC1 ZINC000602486550 449627916 /nfs/dbraw/zinc/62/79/16/449627916.db2.gz UHDDTSVUXCLWSM-SFHVURJKSA-N 2 1 338.540 1.198 20 0 EDADMP C[NH+]1CCN(CC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000601007474 449650159 /nfs/dbraw/zinc/65/01/59/449650159.db2.gz NBVDZNCKGRLGKQ-GOSISDBHSA-N 2 1 336.524 1.395 20 0 EDADMP C[NH+]1CCN(CC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000601007474 449650163 /nfs/dbraw/zinc/65/01/63/449650163.db2.gz NBVDZNCKGRLGKQ-GOSISDBHSA-N 2 1 336.524 1.395 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]nc1-c1ccncc1 ZINC000617505396 449652728 /nfs/dbraw/zinc/65/27/28/449652728.db2.gz AZCFCUTZJQKRFU-AWEZNQCLSA-N 2 1 344.463 1.474 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]nc1-c1ccncc1 ZINC000617505396 449652736 /nfs/dbraw/zinc/65/27/36/449652736.db2.gz AZCFCUTZJQKRFU-AWEZNQCLSA-N 2 1 344.463 1.474 20 0 EDADMP COCc1ccsc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506147 449654150 /nfs/dbraw/zinc/65/41/50/449654150.db2.gz BVVJUEOLNIMPRQ-ZDUSSCGKSA-N 2 1 327.494 1.896 20 0 EDADMP COCc1ccsc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506147 449654153 /nfs/dbraw/zinc/65/41/53/449654153.db2.gz BVVJUEOLNIMPRQ-ZDUSSCGKSA-N 2 1 327.494 1.896 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn(C)nc1-c1ccoc1 ZINC000617507362 449657338 /nfs/dbraw/zinc/65/73/38/449657338.db2.gz TWCAOGYWBQQYPF-AWEZNQCLSA-N 2 1 347.463 1.682 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn(C)nc1-c1ccoc1 ZINC000617507362 449657343 /nfs/dbraw/zinc/65/73/43/449657343.db2.gz TWCAOGYWBQQYPF-AWEZNQCLSA-N 2 1 347.463 1.682 20 0 EDADMP COC(=O)c1csc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000602545884 449665073 /nfs/dbraw/zinc/66/50/73/449665073.db2.gz YKQHUVFEIUPDRF-LBPRGKRZSA-N 2 1 339.461 1.212 20 0 EDADMP COC(=O)c1csc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000602545884 449665078 /nfs/dbraw/zinc/66/50/78/449665078.db2.gz YKQHUVFEIUPDRF-LBPRGKRZSA-N 2 1 339.461 1.212 20 0 EDADMP COC(=O)c1[nH]c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1C ZINC000602568008 449678094 /nfs/dbraw/zinc/67/80/94/449678094.db2.gz LQOSEDOJUUMZAY-IAGOWNOFSA-N 2 1 349.475 1.967 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(C(=O)OC)no1 ZINC000602655168 449732209 /nfs/dbraw/zinc/73/22/09/449732209.db2.gz DZHQJLHZUMLIRU-AWEZNQCLSA-N 2 1 338.452 1.309 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000601327365 449834866 /nfs/dbraw/zinc/83/48/66/449834866.db2.gz UGMGUPAVSWJJDH-QLFBSQMISA-N 2 1 332.448 1.867 20 0 EDADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000601327365 449834874 /nfs/dbraw/zinc/83/48/74/449834874.db2.gz UGMGUPAVSWJJDH-QLFBSQMISA-N 2 1 332.448 1.867 20 0 EDADMP C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000602767608 449793295 /nfs/dbraw/zinc/79/32/95/449793295.db2.gz HTSLLKSBOWBMPN-SOLBZPMBSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000602767608 449793300 /nfs/dbraw/zinc/79/33/00/449793300.db2.gz HTSLLKSBOWBMPN-SOLBZPMBSA-N 2 1 337.508 1.866 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000601346441 449856956 /nfs/dbraw/zinc/85/69/56/449856956.db2.gz VCGFINOCLQXKHI-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000601346441 449856959 /nfs/dbraw/zinc/85/69/59/449856959.db2.gz VCGFINOCLQXKHI-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000612980524 449969236 /nfs/dbraw/zinc/96/92/36/449969236.db2.gz SGYYQMWJKMLARA-HOTGVXAUSA-N 2 1 338.496 1.271 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@@H](Cc2ccccc2)C1 ZINC000612994535 449975853 /nfs/dbraw/zinc/97/58/53/449975853.db2.gz HDXKKBYMCSREHO-ZWKOTPCHSA-N 2 1 342.487 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@@H](Cc2ccccc2)C1 ZINC000612994535 449975858 /nfs/dbraw/zinc/97/58/58/449975858.db2.gz HDXKKBYMCSREHO-ZWKOTPCHSA-N 2 1 342.487 1.697 20 0 EDADMP O=C(C[N@@H+]1CCC[C@@H](c2ccncn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000613208968 450080771 /nfs/dbraw/zinc/08/07/71/450080771.db2.gz FMELHKMHZUGAEP-OAHLLOKOSA-N 2 1 343.475 1.399 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H](c2ccncn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000613208968 450080776 /nfs/dbraw/zinc/08/07/76/450080776.db2.gz FMELHKMHZUGAEP-OAHLLOKOSA-N 2 1 343.475 1.399 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000613669838 450264739 /nfs/dbraw/zinc/26/47/39/450264739.db2.gz AJWQJUYFDRWAKJ-HKUYNNGSSA-N 2 1 345.487 1.391 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)CC1(C)C ZINC000623353920 450504091 /nfs/dbraw/zinc/50/40/91/450504091.db2.gz BWFUTQAVHWZXGF-KRWDZBQOSA-N 2 1 346.523 1.451 20 0 EDADMP CN1CC[NH+](CCCCNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623419646 450519490 /nfs/dbraw/zinc/51/94/90/450519490.db2.gz RCXMLHWCNGOMBV-QGZVFWFLSA-N 2 1 339.528 1.045 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623419646 450519491 /nfs/dbraw/zinc/51/94/91/450519491.db2.gz RCXMLHWCNGOMBV-QGZVFWFLSA-N 2 1 339.528 1.045 20 0 EDADMP C[NH+]1CCN(CCCCNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623419646 450519493 /nfs/dbraw/zinc/51/94/93/450519493.db2.gz RCXMLHWCNGOMBV-QGZVFWFLSA-N 2 1 339.528 1.045 20 0 EDADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CCOCC1 ZINC000623636989 450557039 /nfs/dbraw/zinc/55/70/39/450557039.db2.gz JKTZOZOMQDLHFV-HNNXBMFYSA-N 2 1 326.485 1.128 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC3(CC3)CC2)C1 ZINC000626113287 450577301 /nfs/dbraw/zinc/57/73/01/450577301.db2.gz MGWROGMSTTYFCH-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC3(CC3)CC2)C1 ZINC000626113287 450577302 /nfs/dbraw/zinc/57/73/02/450577302.db2.gz MGWROGMSTTYFCH-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC3(CC3)CC2)C1 ZINC000626113287 450577303 /nfs/dbraw/zinc/57/73/03/450577303.db2.gz MGWROGMSTTYFCH-QGZVFWFLSA-N 2 1 337.508 1.726 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000623783944 450584003 /nfs/dbraw/zinc/58/40/03/450584003.db2.gz XWSBFNWIDZSRGB-XIRDDKMYSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000623783944 450584005 /nfs/dbraw/zinc/58/40/05/450584005.db2.gz XWSBFNWIDZSRGB-XIRDDKMYSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000623783944 450584008 /nfs/dbraw/zinc/58/40/08/450584008.db2.gz XWSBFNWIDZSRGB-XIRDDKMYSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000623783944 450584011 /nfs/dbraw/zinc/58/40/11/450584011.db2.gz XWSBFNWIDZSRGB-XIRDDKMYSA-N 2 1 338.496 1.412 20 0 EDADMP C[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000635057377 450612226 /nfs/dbraw/zinc/61/22/26/450612226.db2.gz UWPYZGARTCZAEM-UYAOXDASSA-N 2 1 343.471 1.299 20 0 EDADMP C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000635057377 450612231 /nfs/dbraw/zinc/61/22/31/450612231.db2.gz UWPYZGARTCZAEM-UYAOXDASSA-N 2 1 343.471 1.299 20 0 EDADMP COc1cccc2c1OCCC[C@H]2[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000631574749 450661931 /nfs/dbraw/zinc/66/19/31/450661931.db2.gz FMJFLYXVHAOPDF-MRXNPFEDSA-N 2 1 347.459 1.663 20 0 EDADMP Nc1nc(Nc2ccc(CC[NH+]3CCSCC3)cc2)nc(N)[nH+]1 ZINC000623909969 450632035 /nfs/dbraw/zinc/63/20/35/450632035.db2.gz RYIPQDJPYWMEJM-UHFFFAOYSA-N 2 1 331.449 1.032 20 0 EDADMP Cn1ccnc1-c1cccc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000626361483 450704243 /nfs/dbraw/zinc/70/42/43/450704243.db2.gz IBQBASDDHJPUMB-HNNXBMFYSA-N 2 1 329.404 1.275 20 0 EDADMP Cn1ccnc1-c1cccc(NC(=O)NCCN2CC[C@H](O)C2)c1 ZINC000626361483 450704250 /nfs/dbraw/zinc/70/42/50/450704250.db2.gz IBQBASDDHJPUMB-HNNXBMFYSA-N 2 1 329.404 1.275 20 0 EDADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000624122508 450715500 /nfs/dbraw/zinc/71/55/00/450715500.db2.gz TWWSFVLTLILJAV-KGLIPLIRSA-N 2 1 325.478 1.717 20 0 EDADMP O[C@H](C[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)C[NH+]1CCCC1 ZINC000629561762 450737609 /nfs/dbraw/zinc/73/76/09/450737609.db2.gz ZYHYLSCJPMDZIF-LSDHHAIUSA-N 2 1 325.403 1.590 20 0 EDADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CCOCC[NH2+]C ZINC000629570379 450740273 /nfs/dbraw/zinc/74/02/73/450740273.db2.gz XCCNHTIJZKDLDN-OAHLLOKOSA-N 2 1 339.505 1.752 20 0 EDADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)CCOCC[NH2+]C ZINC000629570379 450740275 /nfs/dbraw/zinc/74/02/75/450740275.db2.gz XCCNHTIJZKDLDN-OAHLLOKOSA-N 2 1 339.505 1.752 20 0 EDADMP C[C@@H]1[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC(=O)N1Cc1ccccc1 ZINC000629577786 450745657 /nfs/dbraw/zinc/74/56/57/450745657.db2.gz IYRPXVBMBCXVKX-NJAFHUGGSA-N 2 1 331.460 1.222 20 0 EDADMP COC[C@@]1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)OCCc2ccccc21 ZINC000629580323 450746875 /nfs/dbraw/zinc/74/68/75/450746875.db2.gz QNXYCRXLAXZEFZ-IEBWSBKVSA-N 2 1 334.460 1.147 20 0 EDADMP CC[C@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)[NH+](C)C ZINC000629616111 450762582 /nfs/dbraw/zinc/76/25/82/450762582.db2.gz WXWNZVMVVIYEOD-GOSISDBHSA-N 2 1 347.507 1.923 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)[C@H]2CCC[C@H]21 ZINC000624263109 450769858 /nfs/dbraw/zinc/76/98/58/450769858.db2.gz BERLZNJOISCHDG-YSTOQKLRSA-N 2 1 344.503 1.745 20 0 EDADMP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841587 450809983 /nfs/dbraw/zinc/80/99/83/450809983.db2.gz MSVWGEYYHGTAOQ-KLHDSHLOSA-N 2 1 347.459 1.200 20 0 EDADMP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841587 450809988 /nfs/dbraw/zinc/80/99/88/450809988.db2.gz MSVWGEYYHGTAOQ-KLHDSHLOSA-N 2 1 347.459 1.200 20 0 EDADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1C[NH3+] ZINC000631841977 450811994 /nfs/dbraw/zinc/81/19/94/450811994.db2.gz SPERDWMPJUNFBA-HUUCEWRRSA-N 2 1 344.459 1.669 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1OC ZINC000631843049 450812795 /nfs/dbraw/zinc/81/27/95/450812795.db2.gz IVCZZNGQUDHEDD-UKRRQHHQSA-N 2 1 335.448 1.189 20 0 EDADMP COc1cccc(CN(C)C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1OC ZINC000631843049 450812801 /nfs/dbraw/zinc/81/28/01/450812801.db2.gz IVCZZNGQUDHEDD-UKRRQHHQSA-N 2 1 335.448 1.189 20 0 EDADMP O=C(CC[C@@H]1CCC[NH2+]C1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000621668399 450824560 /nfs/dbraw/zinc/82/45/60/450824560.db2.gz DOBUXUUJAXJNCH-LPHOPBHVSA-N 2 1 345.487 1.649 20 0 EDADMP [NH3+][C@H](C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)c1ccccc1Br ZINC000621679484 450830036 /nfs/dbraw/zinc/83/00/36/450830036.db2.gz NGIXWOYLGXNMJH-XEGUGMAKSA-N 2 1 338.249 1.789 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)cc2)CC1 ZINC000621698920 450839256 /nfs/dbraw/zinc/83/92/56/450839256.db2.gz IQKHAWCYGVLJJR-QUCCMNQESA-N 2 1 342.487 1.387 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(-n2ccnc2)ccc1O ZINC000635328012 450853762 /nfs/dbraw/zinc/85/37/62/450853762.db2.gz GDGVNVAKKGTJMT-HZPDHXFCSA-N 2 1 326.400 1.935 20 0 EDADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000635334781 450858901 /nfs/dbraw/zinc/85/89/01/450858901.db2.gz BOWLMHIEJOZVFU-GOSISDBHSA-N 2 1 335.492 1.574 20 0 EDADMP C[NH+](C)C1(CS(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000631950092 450909165 /nfs/dbraw/zinc/90/91/65/450909165.db2.gz YHTGGQYQPJSWQB-OAHLLOKOSA-N 2 1 329.510 1.122 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N2CCC([N@H+]3CCCOCC3)CC2)cn1 ZINC000627741309 450912081 /nfs/dbraw/zinc/91/20/81/450912081.db2.gz BFQQLGFSOSJVGS-UHFFFAOYSA-N 2 1 346.475 1.470 20 0 EDADMP O=C(C1C[NH+](C2CCCCC2)C1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000627742216 450915096 /nfs/dbraw/zinc/91/50/96/450915096.db2.gz NDPWDAOEXDANLI-UHFFFAOYSA-N 2 1 349.519 1.964 20 0 EDADMP C[NH+](C)CCn1c2cc(NC(=O)C[C@H]3CC[N@@H+](C)C3)ccc2oc1=O ZINC000635452170 450952613 /nfs/dbraw/zinc/95/26/13/450952613.db2.gz VGEMUZIQRDDYBN-CYBMUJFWSA-N 2 1 346.431 1.436 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000630022847 450958782 /nfs/dbraw/zinc/95/87/82/450958782.db2.gz OHTYBQVRYXXFOO-RDJZCZTQSA-N 2 1 325.497 1.628 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626975348 451044972 /nfs/dbraw/zinc/04/49/72/451044972.db2.gz SPYZUCAMQSMJRX-HNNXBMFYSA-N 2 1 340.512 1.694 20 0 EDADMP CCN(CC[NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000626936812 451018516 /nfs/dbraw/zinc/01/85/16/451018516.db2.gz ZPGQABJYFPAZDW-SFHVURJKSA-N 2 1 347.507 1.355 20 0 EDADMP CCN(CC[NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000626936812 451018518 /nfs/dbraw/zinc/01/85/18/451018518.db2.gz ZPGQABJYFPAZDW-SFHVURJKSA-N 2 1 347.507 1.355 20 0 EDADMP CCN(CC[NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000626936812 451018521 /nfs/dbraw/zinc/01/85/21/451018521.db2.gz ZPGQABJYFPAZDW-SFHVURJKSA-N 2 1 347.507 1.355 20 0 EDADMP [NH3+]CCCOCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000626939485 451020426 /nfs/dbraw/zinc/02/04/26/451020426.db2.gz GBPKCZXDWYJYEM-QGZVFWFLSA-N 2 1 334.464 1.316 20 0 EDADMP COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H]3CC[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000627011247 451075747 /nfs/dbraw/zinc/07/57/47/451075747.db2.gz ZRJBSOJGSYWGCA-ZTFGCOKTSA-N 2 1 344.459 1.634 20 0 EDADMP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000627038527 451095312 /nfs/dbraw/zinc/09/53/12/451095312.db2.gz JXFHQUUYBZCPSS-RDJZCZTQSA-N 2 1 334.464 1.185 20 0 EDADMP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000626978588 451047718 /nfs/dbraw/zinc/04/77/18/451047718.db2.gz HIHCGCTYLYVNKY-KRWDZBQOSA-N 2 1 334.464 1.268 20 0 EDADMP C[C@@H](NS(=O)(=O)CC1([NH+](C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632197458 451107820 /nfs/dbraw/zinc/10/78/20/451107820.db2.gz QWDVSWYPAFTVPW-HUUCEWRRSA-N 2 1 343.537 1.653 20 0 EDADMP C[C@@H](NS(=O)(=O)CC1([NH+](C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000632197458 451107822 /nfs/dbraw/zinc/10/78/22/451107822.db2.gz QWDVSWYPAFTVPW-HUUCEWRRSA-N 2 1 343.537 1.653 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC[N@H+]1C ZINC000632209333 451118184 /nfs/dbraw/zinc/11/81/84/451118184.db2.gz FIKYMLVRZJFLEG-WNRNVDISSA-N 2 1 336.524 1.201 20 0 EDADMP CN(CC[NH+](C)C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635641385 451128735 /nfs/dbraw/zinc/12/87/35/451128735.db2.gz SKMRNRYBZLAGOU-UYAOXDASSA-N 2 1 345.487 1.545 20 0 EDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)N[C@@H]1CC[NH2+]C1 ZINC000627117511 451132951 /nfs/dbraw/zinc/13/29/51/451132951.db2.gz XWKWYXFDDLGELX-QZTJIDSGSA-N 2 1 342.487 1.950 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000627170223 451162717 /nfs/dbraw/zinc/16/27/17/451162717.db2.gz JUZBMDSSHRSZMS-ZWKOTPCHSA-N 2 1 330.476 1.963 20 0 EDADMP C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@@H]3CC[N@@H+](C)C3)nc2)CC1 ZINC000635695923 451178801 /nfs/dbraw/zinc/17/88/01/451178801.db2.gz UQWLMHNFVDKVRM-HNNXBMFYSA-N 2 1 345.491 1.892 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627194086 451179385 /nfs/dbraw/zinc/17/93/85/451179385.db2.gz UHLCFJJXRONUFT-FUHWJXTLSA-N 2 1 330.476 1.963 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627212342 451190250 /nfs/dbraw/zinc/19/02/50/451190250.db2.gz MEWOVVPTBDJXLN-IAGOWNOFSA-N 2 1 340.512 1.648 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCN(CCOc3ccccc3)CC2)CC[N@H+]1C ZINC000630500178 451222776 /nfs/dbraw/zinc/22/27/76/451222776.db2.gz IIZYGELSIXCFET-RBUKOAKNSA-N 2 1 345.487 1.940 20 0 EDADMP C[C@@H](CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)C[NH+]1CCOCC1 ZINC000638091448 451257859 /nfs/dbraw/zinc/25/78/59/451257859.db2.gz VFSNZWLSEPBYPP-XYJFISCASA-N 2 1 349.475 1.004 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)CC(C)C ZINC000636524243 451266804 /nfs/dbraw/zinc/26/68/04/451266804.db2.gz IEHJFYUMMUTTDN-CVEARBPZSA-N 2 1 328.501 1.109 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000638103314 451271233 /nfs/dbraw/zinc/27/12/33/451271233.db2.gz ZTLWHBVPWJDXDO-UONOGXRCSA-N 2 1 345.365 1.542 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000638103314 451271238 /nfs/dbraw/zinc/27/12/38/451271238.db2.gz ZTLWHBVPWJDXDO-UONOGXRCSA-N 2 1 345.365 1.542 20 0 EDADMP CC[NH2+][C@H](C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000638113761 451282743 /nfs/dbraw/zinc/28/27/43/451282743.db2.gz UXIZKYBUBLTRHL-OAHLLOKOSA-N 2 1 325.497 1.914 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])c2)C[C@H](C)O1 ZINC000638122385 451291913 /nfs/dbraw/zinc/29/19/13/451291913.db2.gz PCIKRQQFZZHUAM-MGBSGCIJSA-N 2 1 333.432 1.351 20 0 EDADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)C1 ZINC000638126788 451296844 /nfs/dbraw/zinc/29/68/44/451296844.db2.gz BYSULKLFJZCXJZ-CGTJXYLNSA-N 2 1 333.476 1.719 20 0 EDADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638135761 451308910 /nfs/dbraw/zinc/30/89/10/451308910.db2.gz VEGKQBXGBVWHDV-ICSRJNTNSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000638137403 451311125 /nfs/dbraw/zinc/31/11/25/451311125.db2.gz JXOFKGYDMYCEQX-DOTOQJQBSA-N 2 1 328.460 1.361 20 0 EDADMP C[NH+]1CCC(n2cc(NC(=O)N3CC[N@@H+](C)C(C)(C)C3)cn2)CC1 ZINC000640441084 451318587 /nfs/dbraw/zinc/31/85/87/451318587.db2.gz QFLATHHNYPBLNY-UHFFFAOYSA-N 2 1 334.468 1.708 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638153233 451324516 /nfs/dbraw/zinc/32/45/16/451324516.db2.gz CVTWXRXSZIAWIH-SZVBFZGTSA-N 2 1 331.460 1.379 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1Cc2cncn2C1)[N@H+]1CCc2ccccc2C1 ZINC000636587474 451327993 /nfs/dbraw/zinc/32/79/93/451327993.db2.gz DRQXMMIWAZZSJN-PBHICJAKSA-N 2 1 339.443 1.554 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1Cc2cncn2C1)N1CCc2ccccc2C1 ZINC000636587474 451328000 /nfs/dbraw/zinc/32/80/00/451328000.db2.gz DRQXMMIWAZZSJN-PBHICJAKSA-N 2 1 339.443 1.554 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000640531085 451382763 /nfs/dbraw/zinc/38/27/63/451382763.db2.gz DMUXXBSTDNHVNB-CALCHBBNSA-N 2 1 325.497 1.820 20 0 EDADMP C[C@@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000638309055 451422812 /nfs/dbraw/zinc/42/28/12/451422812.db2.gz BYXBWQPHYWOWMG-OAHLLOKOSA-N 2 1 341.459 1.971 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000638313321 451425332 /nfs/dbraw/zinc/42/53/32/451425332.db2.gz TZYMFCFGIQQLHR-LEUOFYLZSA-N 2 1 331.460 1.472 20 0 EDADMP O[C@]1(C[NH2+]CCCOC[C@@H]2CCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000634640407 451433117 /nfs/dbraw/zinc/43/31/17/451433117.db2.gz ZEOKJXZRSGPZDB-PMACEKPBSA-N 2 1 348.487 1.799 20 0 EDADMP O[C@]1(C[NH2+]CCCOC[C@@H]2CCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634640407 451433124 /nfs/dbraw/zinc/43/31/24/451433124.db2.gz ZEOKJXZRSGPZDB-PMACEKPBSA-N 2 1 348.487 1.799 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@H](C[NH3+])c3ccccc32)CC1 ZINC000634689703 451465333 /nfs/dbraw/zinc/46/53/33/451465333.db2.gz VBTJWMUTJQWKLH-HZPDHXFCSA-N 2 1 330.476 1.492 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)[C@H]1CC[NH3+] ZINC000638392122 451482082 /nfs/dbraw/zinc/48/20/82/451482082.db2.gz YVOHJICOEKXWHJ-NXHRZFHOSA-N 2 1 332.492 1.422 20 0 EDADMP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)[C@H]1CC[NH3+] ZINC000638392122 451482087 /nfs/dbraw/zinc/48/20/87/451482087.db2.gz YVOHJICOEKXWHJ-NXHRZFHOSA-N 2 1 332.492 1.422 20 0 EDADMP O[C@H](CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000634720953 451501958 /nfs/dbraw/zinc/50/19/58/451501958.db2.gz RBYKXPHKZFRREO-CABCVRRESA-N 2 1 332.366 1.526 20 0 EDADMP O[C@H](CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000634720953 451501963 /nfs/dbraw/zinc/50/19/63/451501963.db2.gz RBYKXPHKZFRREO-CABCVRRESA-N 2 1 332.366 1.526 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638416331 451502508 /nfs/dbraw/zinc/50/25/08/451502508.db2.gz RFKWNJNFABLLSY-MJGOQNOKSA-N 2 1 331.460 1.140 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000634724391 451506500 /nfs/dbraw/zinc/50/65/00/451506500.db2.gz PBOYQATWQRYCLS-BHIYHBOVSA-N 2 1 328.460 1.602 20 0 EDADMP C[NH+]1CCN(CCCC[NH2+]Cc2ccncc2Br)CC1 ZINC000631041043 451548012 /nfs/dbraw/zinc/54/80/12/451548012.db2.gz MZUORAWAONGCCE-UHFFFAOYSA-N 2 1 341.297 1.961 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000636096528 451513457 /nfs/dbraw/zinc/51/34/57/451513457.db2.gz YRZQVFJYEUZLIV-RZFLPCETSA-N 2 1 337.508 1.863 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000636096528 451513463 /nfs/dbraw/zinc/51/34/63/451513463.db2.gz YRZQVFJYEUZLIV-RZFLPCETSA-N 2 1 337.508 1.863 20 0 EDADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000634740895 451518977 /nfs/dbraw/zinc/51/89/77/451518977.db2.gz LYNOAGJSOWVZLI-RLLQIKCJSA-N 2 1 327.472 1.967 20 0 EDADMP Nc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(N)n1 ZINC000638447895 451520280 /nfs/dbraw/zinc/52/02/80/451520280.db2.gz OMGCFDKAQSNIPD-LBPRGKRZSA-N 2 1 332.477 1.365 20 0 EDADMP Nc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(N)n1 ZINC000638447895 451520286 /nfs/dbraw/zinc/52/02/86/451520286.db2.gz OMGCFDKAQSNIPD-LBPRGKRZSA-N 2 1 332.477 1.365 20 0 EDADMP C[C@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000638447588 451520649 /nfs/dbraw/zinc/52/06/49/451520649.db2.gz GRFCBCNGKCVBJX-QFBILLFUSA-N 2 1 331.460 1.475 20 0 EDADMP C[C@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000638447588 451520656 /nfs/dbraw/zinc/52/06/56/451520656.db2.gz GRFCBCNGKCVBJX-QFBILLFUSA-N 2 1 331.460 1.475 20 0 EDADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000638450409 451522325 /nfs/dbraw/zinc/52/23/25/451522325.db2.gz BQSZQXRSVNXJGC-MRXNPFEDSA-N 2 1 331.460 1.617 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000636144172 451545866 /nfs/dbraw/zinc/54/58/66/451545866.db2.gz YPKZSAYLAKXYNJ-SJORKVTESA-N 2 1 341.496 1.104 20 0 EDADMP COCCOCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000636144172 451545873 /nfs/dbraw/zinc/54/58/73/451545873.db2.gz YPKZSAYLAKXYNJ-SJORKVTESA-N 2 1 341.496 1.104 20 0 EDADMP COCCOCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000636144172 451545876 /nfs/dbraw/zinc/54/58/76/451545876.db2.gz YPKZSAYLAKXYNJ-SJORKVTESA-N 2 1 341.496 1.104 20 0 EDADMP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nc(C4CC4)nc4[nH]ccc43)C2)CC1 ZINC000631118270 451593650 /nfs/dbraw/zinc/59/36/50/451593650.db2.gz XFWCVKYFAIPQQB-AWEZNQCLSA-N 2 1 340.475 2.416 20 0 EDADMP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nc(C4CC4)nc4[nH]ccc43)C2)CC1 ZINC000631118270 451593655 /nfs/dbraw/zinc/59/36/55/451593655.db2.gz XFWCVKYFAIPQQB-AWEZNQCLSA-N 2 1 340.475 2.416 20 0 EDADMP CCCCNc1cc(C)[nH+]c(N2CCC([N@@H+](C)CCCO)CC2)n1 ZINC000631119199 451595172 /nfs/dbraw/zinc/59/51/72/451595172.db2.gz MMLLXBIDZQBKQR-UHFFFAOYSA-N 2 1 335.496 2.280 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000636257016 451627670 /nfs/dbraw/zinc/62/76/70/451627670.db2.gz ZYWGJMKADORDJP-DLBZAZTESA-N 2 1 331.460 1.728 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000636257016 451627676 /nfs/dbraw/zinc/62/76/76/451627676.db2.gz ZYWGJMKADORDJP-DLBZAZTESA-N 2 1 331.460 1.728 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000636257016 451627678 /nfs/dbraw/zinc/62/76/78/451627678.db2.gz ZYWGJMKADORDJP-DLBZAZTESA-N 2 1 331.460 1.728 20 0 EDADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000636257016 451627687 /nfs/dbraw/zinc/62/76/87/451627687.db2.gz ZYWGJMKADORDJP-DLBZAZTESA-N 2 1 331.460 1.728 20 0 EDADMP C[NH2+][C@@H](C(=O)N(C)CCOCC[NH3+])c1cccc(Cl)c1Cl ZINC000638669392 451641625 /nfs/dbraw/zinc/64/16/25/451641625.db2.gz BFLOAUVUOJUZQX-CYBMUJFWSA-N 2 1 334.247 1.688 20 0 EDADMP CCC(C)(C)NC(=O)[C@@H](C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640910645 451685856 /nfs/dbraw/zinc/68/58/56/451685856.db2.gz ZMWGRPOKTWTUPZ-CYBMUJFWSA-N 2 1 336.484 1.110 20 0 EDADMP Cn1cc(CCC[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cn1 ZINC000638977580 451744743 /nfs/dbraw/zinc/74/47/43/451744743.db2.gz VEVLCCJIKAXQAX-IBGZPJMESA-N 2 1 328.460 1.709 20 0 EDADMP C[NH2+]CC(=O)Nc1cccc(-c2cn(CCc3c[nH+]cn3C)nn2)c1 ZINC000641172393 451768817 /nfs/dbraw/zinc/76/88/17/451768817.db2.gz FSBHDIVJJWQTNJ-UHFFFAOYSA-N 2 1 339.403 1.079 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC000644521920 451838810 /nfs/dbraw/zinc/83/88/10/451838810.db2.gz CAOOYRWYVXFCPG-SJORKVTESA-N 2 1 328.497 1.787 20 0 EDADMP CC[N@H+](C)C[C@H](O)Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000641224438 451789190 /nfs/dbraw/zinc/78/91/90/451789190.db2.gz ZOXXBIDVRCCLMP-FUHWJXTLSA-N 2 1 329.448 1.368 20 0 EDADMP CC[N@@H+](C)C[C@H](O)Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000641224438 451789192 /nfs/dbraw/zinc/78/91/92/451789192.db2.gz ZOXXBIDVRCCLMP-FUHWJXTLSA-N 2 1 329.448 1.368 20 0 EDADMP CC(C)(C)[C@@H]([NH3+])c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641229451 451790856 /nfs/dbraw/zinc/79/08/56/451790856.db2.gz ITIRXEQGHMMEEZ-HKUYNNGSSA-N 2 1 343.475 1.961 20 0 EDADMP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000644524028 451839443 /nfs/dbraw/zinc/83/94/43/451839443.db2.gz LQFNPOBAIKLKLL-OKZBNKHCSA-N 2 1 332.444 1.845 20 0 EDADMP COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000644524088 451840397 /nfs/dbraw/zinc/84/03/97/451840397.db2.gz QFWZPFNIYNZVIE-GBESFXJTSA-N 2 1 348.487 1.832 20 0 EDADMP C[NH+](C)[C@]1(CNC[C@H](O)C[N@H+](C)Cc2ccccc2)CCSC1 ZINC000644583364 451877692 /nfs/dbraw/zinc/87/76/92/451877692.db2.gz VPOIIVMNUKAVAM-ROUUACIJSA-N 2 1 337.533 1.506 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000644525354 451841982 /nfs/dbraw/zinc/84/19/82/451841982.db2.gz WCNHAMSOCKQCNO-DZGCQCFKSA-N 2 1 347.415 1.586 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CCN(c3ccccn3)C1)CC2 ZINC000651568894 451923492 /nfs/dbraw/zinc/92/34/92/451923492.db2.gz AWXZVOJXXBRINZ-GJZGRUSLSA-N 2 1 325.416 1.544 20 0 EDADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)ccc21 ZINC000651610499 451959368 /nfs/dbraw/zinc/95/93/68/451959368.db2.gz GIYCERBKJAOTBL-NVXWUHKLSA-N 2 1 344.459 1.384 20 0 EDADMP COCCC1(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000649293962 451968758 /nfs/dbraw/zinc/96/87/58/451968758.db2.gz UNWDRWSCUPJMKF-CALCHBBNSA-N 2 1 339.524 1.877 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCC[N@@H+](C)C2CCCCC2)cnn1C ZINC000649293663 451969487 /nfs/dbraw/zinc/96/94/87/451969487.db2.gz CXJBXSVXCZPRSV-MSOLQXFVSA-N 2 1 347.507 1.412 20 0 EDADMP C[N@@H+](CCN1CCO[C@@H](CN2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000649296092 451971024 /nfs/dbraw/zinc/97/10/24/451971024.db2.gz CKXWDVBGWXPXBK-FQEVSTJZSA-N 2 1 346.519 1.067 20 0 EDADMP CC1CC[NH+]([C@@H](CNC(=O)[C@@]2(N)CC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000649303856 451980132 /nfs/dbraw/zinc/98/01/32/451980132.db2.gz MXTJYLGWECEKMJ-AZUAARDMSA-N 2 1 344.503 1.609 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]([NH3+])CC(C)C)cc2)CC1 ZINC000649308462 451985452 /nfs/dbraw/zinc/98/54/52/451985452.db2.gz IAXYCVDYSCTNCQ-QGZVFWFLSA-N 2 1 346.475 1.776 20 0 EDADMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)cs1 ZINC000649331710 452013536 /nfs/dbraw/zinc/01/35/36/452013536.db2.gz PSAZLUHQMCPSIC-QLPKVWCKSA-N 2 1 348.516 1.499 20 0 EDADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000653556998 452014462 /nfs/dbraw/zinc/01/44/62/452014462.db2.gz WISLJAGVZQSNKY-UHFFFAOYSA-N 2 1 326.444 1.872 20 0 EDADMP CCCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000647049737 452029298 /nfs/dbraw/zinc/02/92/98/452029298.db2.gz ZUMRUXZMJNSNMK-GJZGRUSLSA-N 2 1 340.512 1.022 20 0 EDADMP CNC(=O)c1cc(O[C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000639701763 452037094 /nfs/dbraw/zinc/03/70/94/452037094.db2.gz JUTBHCFUAXKOFJ-NVXWUHKLSA-N 2 1 346.475 1.769 20 0 EDADMP CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000639701763 452037101 /nfs/dbraw/zinc/03/71/01/452037101.db2.gz JUTBHCFUAXKOFJ-NVXWUHKLSA-N 2 1 346.475 1.769 20 0 EDADMP CNC(=O)c1cc(O[C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)ccn1 ZINC000639701763 452037107 /nfs/dbraw/zinc/03/71/07/452037107.db2.gz JUTBHCFUAXKOFJ-NVXWUHKLSA-N 2 1 346.475 1.769 20 0 EDADMP CNC(=O)c1cc(O[C@@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC000639701763 452037111 /nfs/dbraw/zinc/03/71/11/452037111.db2.gz JUTBHCFUAXKOFJ-NVXWUHKLSA-N 2 1 346.475 1.769 20 0 EDADMP OC1(C2CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000639719490 452060374 /nfs/dbraw/zinc/06/03/74/452060374.db2.gz HMSLSUAYKRNZOK-LJQANCHMSA-N 2 1 330.472 1.860 20 0 EDADMP OC1(C2CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000639719490 452060375 /nfs/dbraw/zinc/06/03/75/452060375.db2.gz HMSLSUAYKRNZOK-LJQANCHMSA-N 2 1 330.472 1.860 20 0 EDADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643205148 452068726 /nfs/dbraw/zinc/06/87/26/452068726.db2.gz YOVIIHMCVQCKBA-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643205148 452068732 /nfs/dbraw/zinc/06/87/32/452068732.db2.gz YOVIIHMCVQCKBA-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP COc1ccc([C@@H](C[NH3+])CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000649414521 452076266 /nfs/dbraw/zinc/07/62/66/452076266.db2.gz FAEVRBNNUOGRFO-RBUKOAKNSA-N 2 1 346.519 1.449 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC(C)([NH3+])CC3)CC2)c1 ZINC000649416188 452077364 /nfs/dbraw/zinc/07/73/64/452077364.db2.gz WDDZCRHFSQHMQZ-UHFFFAOYSA-N 2 1 344.503 1.452 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000639766103 452107116 /nfs/dbraw/zinc/10/71/16/452107116.db2.gz NYWILDIHTYBCLD-WMZOPIPTSA-N 2 1 340.439 1.092 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000639766103 452107122 /nfs/dbraw/zinc/10/71/22/452107122.db2.gz NYWILDIHTYBCLD-WMZOPIPTSA-N 2 1 340.439 1.092 20 0 EDADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC(=O)N2CC[NH+](C)CC2)o1 ZINC000647179639 452108920 /nfs/dbraw/zinc/10/89/20/452108920.db2.gz JABOOPAMFUKTMK-UHFFFAOYSA-N 2 1 345.447 1.242 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000637846854 452113396 /nfs/dbraw/zinc/11/33/96/452113396.db2.gz YPSUHGXUUBIEIS-ZWKOTPCHSA-N 2 1 332.492 1.470 20 0 EDADMP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000637846854 452113401 /nfs/dbraw/zinc/11/34/01/452113401.db2.gz YPSUHGXUUBIEIS-ZWKOTPCHSA-N 2 1 332.492 1.470 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643294138 452120057 /nfs/dbraw/zinc/12/00/57/452120057.db2.gz GJZCLRQQTAICQZ-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643294138 452120063 /nfs/dbraw/zinc/12/00/63/452120063.db2.gz GJZCLRQQTAICQZ-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP CO[C@]1(CO)CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639798939 452136778 /nfs/dbraw/zinc/13/67/78/452136778.db2.gz RWANMTQWPYXLKL-RBUKOAKNSA-N 2 1 334.460 1.097 20 0 EDADMP CO[C@]1(CO)CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639798939 452136784 /nfs/dbraw/zinc/13/67/84/452136784.db2.gz RWANMTQWPYXLKL-RBUKOAKNSA-N 2 1 334.460 1.097 20 0 EDADMP CO[C@]1(CO)CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639798939 452136788 /nfs/dbraw/zinc/13/67/88/452136788.db2.gz RWANMTQWPYXLKL-RBUKOAKNSA-N 2 1 334.460 1.097 20 0 EDADMP CO[C@]1(CO)CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639798939 452136794 /nfs/dbraw/zinc/13/67/94/452136794.db2.gz RWANMTQWPYXLKL-RBUKOAKNSA-N 2 1 334.460 1.097 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC4(CC4(F)F)CC3)cn2)CC1 ZINC000651953866 452188550 /nfs/dbraw/zinc/18/85/50/452188550.db2.gz ZWKZTWYIBKCIDJ-UHFFFAOYSA-N 2 1 337.418 1.850 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCCOC1 ZINC000649755578 452233407 /nfs/dbraw/zinc/23/34/07/452233407.db2.gz RKNORSIKRSVBPF-ZWKOTPCHSA-N 2 1 333.476 1.906 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCC3)C1)[C@H]1CCC[NH2+]1 ZINC000647509517 452246466 /nfs/dbraw/zinc/24/64/66/452246466.db2.gz JGJKGHLVODHSHE-DZGCQCFKSA-N 2 1 348.516 1.712 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1)[C@H]1CCC[NH2+]1 ZINC000647509517 452246481 /nfs/dbraw/zinc/24/64/81/452246481.db2.gz JGJKGHLVODHSHE-DZGCQCFKSA-N 2 1 348.516 1.712 20 0 EDADMP CCCN(C(=O)NC[C@@H]1CCC[NH+]1CCOC)[C@H]1CC[N@@H+](C)C1 ZINC000645278901 452256456 /nfs/dbraw/zinc/25/64/56/452256456.db2.gz KQDKCBCOXWTRIH-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CCCN(C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)[C@H]1CC[NH+](C)C1 ZINC000645278901 452256465 /nfs/dbraw/zinc/25/64/65/452256465.db2.gz KQDKCBCOXWTRIH-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CCCN(C(=O)NC[C@@H]1CCC[N@H+]1CCOC)[C@H]1CC[NH+](C)C1 ZINC000645278901 452256471 /nfs/dbraw/zinc/25/64/71/452256471.db2.gz KQDKCBCOXWTRIH-HOTGVXAUSA-N 2 1 326.485 1.223 20 0 EDADMP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641805966 452285355 /nfs/dbraw/zinc/28/53/55/452285355.db2.gz PMESXVVNMAAGMF-UONOGXRCSA-N 2 1 341.402 1.962 20 0 EDADMP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641805962 452286368 /nfs/dbraw/zinc/28/63/68/452286368.db2.gz PMESXVVNMAAGMF-KBPBESRZSA-N 2 1 341.402 1.962 20 0 EDADMP COc1cccc(CN(C)C(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1OC ZINC000641808274 452287828 /nfs/dbraw/zinc/28/78/28/452287828.db2.gz XUUCYSMYLHDMBT-CABCVRRESA-N 2 1 335.448 1.378 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000659445235 452292827 /nfs/dbraw/zinc/29/28/27/452292827.db2.gz HABVRBSPFUPWLZ-IAOVAPTHSA-N 2 1 334.439 1.514 20 0 EDADMP CC[C@H](C)[C@@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000638036325 452293542 /nfs/dbraw/zinc/29/35/42/452293542.db2.gz VPPADVVFZJJTOV-FUHWJXTLSA-N 2 1 339.524 1.924 20 0 EDADMP C[C@@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000641833155 452316566 /nfs/dbraw/zinc/31/65/66/452316566.db2.gz DINSODQNAHNMAK-SOUVJXGZSA-N 2 1 326.485 1.220 20 0 EDADMP C[C@@H](CNC(=O)N1CCN(C)C(C)(C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000641833155 452316576 /nfs/dbraw/zinc/31/65/76/452316576.db2.gz DINSODQNAHNMAK-SOUVJXGZSA-N 2 1 326.485 1.220 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)n1C ZINC000659463600 452317528 /nfs/dbraw/zinc/31/75/28/452317528.db2.gz AUTMFCQNYAHTPC-HNNXBMFYSA-N 2 1 348.495 1.407 20 0 EDADMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000665758901 452328720 /nfs/dbraw/zinc/32/87/20/452328720.db2.gz SLSMDORFRWNNNB-BBWFWOEESA-N 2 1 341.544 1.383 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000665758901 452328730 /nfs/dbraw/zinc/32/87/30/452328730.db2.gz SLSMDORFRWNNNB-BBWFWOEESA-N 3 1 341.544 1.383 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000665758901 452328744 /nfs/dbraw/zinc/32/87/44/452328744.db2.gz SLSMDORFRWNNNB-BBWFWOEESA-N 3 1 341.544 1.383 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000665758901 452328757 /nfs/dbraw/zinc/32/87/57/452328757.db2.gz SLSMDORFRWNNNB-BBWFWOEESA-N 3 1 341.544 1.383 20 0 EDADMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000665758901 452328764 /nfs/dbraw/zinc/32/87/64/452328764.db2.gz SLSMDORFRWNNNB-BBWFWOEESA-N 3 1 341.544 1.383 20 0 EDADMP CCO[C@@H]1CN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652137628 452331908 /nfs/dbraw/zinc/33/19/08/452331908.db2.gz RFLUJOFYAGTDFE-ZJIFWQFVSA-N 2 1 326.485 1.112 20 0 EDADMP [NH3+]C/C=C/CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000641867926 452332941 /nfs/dbraw/zinc/33/29/41/452332941.db2.gz XGSLFCANCCPQER-VZSQWMKGSA-N 2 1 328.460 1.809 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638070800 452375926 /nfs/dbraw/zinc/37/59/26/452375926.db2.gz AONMVVLRAJTBMS-MSOLQXFVSA-N 2 1 332.492 1.246 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638070800 452375937 /nfs/dbraw/zinc/37/59/37/452375937.db2.gz AONMVVLRAJTBMS-MSOLQXFVSA-N 2 1 332.492 1.246 20 0 EDADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638070800 452375947 /nfs/dbraw/zinc/37/59/47/452375947.db2.gz AONMVVLRAJTBMS-MSOLQXFVSA-N 2 1 332.492 1.246 20 0 EDADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638069955 452376302 /nfs/dbraw/zinc/37/63/02/452376302.db2.gz NVZWNFFAWGXQCU-WMZOPIPTSA-N 2 1 332.492 1.436 20 0 EDADMP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000638070512 452376376 /nfs/dbraw/zinc/37/63/76/452376376.db2.gz ZOTJNWFAYCJJTM-PBHICJAKSA-N 2 1 337.489 1.202 20 0 EDADMP [NH3+]CC1(CCNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000652185909 452384050 /nfs/dbraw/zinc/38/40/50/452384050.db2.gz XXGRQHCAKXDIIT-KRWDZBQOSA-N 2 1 330.476 1.937 20 0 EDADMP C[C@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000638075393 452385824 /nfs/dbraw/zinc/38/58/24/452385824.db2.gz QVMMECHEGXJXBH-AEFFLSMTSA-N 2 1 332.492 1.294 20 0 EDADMP C[C@H](CNC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000638075393 452385831 /nfs/dbraw/zinc/38/58/31/452385831.db2.gz QVMMECHEGXJXBH-AEFFLSMTSA-N 2 1 332.492 1.294 20 0 EDADMP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659524548 452388333 /nfs/dbraw/zinc/38/83/33/452388333.db2.gz UCWKAVNKHPZOQH-ARFHVFGLSA-N 2 1 338.496 1.447 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000638076171 452390258 /nfs/dbraw/zinc/39/02/58/452390258.db2.gz WENNJOPTFNUKEX-DYVFJYSZSA-N 2 1 330.432 1.522 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652193736 452392403 /nfs/dbraw/zinc/39/24/03/452392403.db2.gz TZEVVGLZKAQEDR-LUKYLMHMSA-N 2 1 340.512 1.643 20 0 EDADMP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)[C@H](Cc2ccccc2)C1 ZINC000652201588 452398478 /nfs/dbraw/zinc/39/84/78/452398478.db2.gz JVOIZCHIEIWUGY-ZWKOTPCHSA-N 2 1 330.476 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)[C@H](Cc2ccccc2)C1 ZINC000652201588 452398489 /nfs/dbraw/zinc/39/84/89/452398489.db2.gz JVOIZCHIEIWUGY-ZWKOTPCHSA-N 2 1 330.476 1.697 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638081532 452398586 /nfs/dbraw/zinc/39/85/86/452398586.db2.gz ABJQGXNJHOLHJI-CJNGLKHVSA-N 2 1 325.416 1.501 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CCC3C[NH2+]C3)c2)CCO1 ZINC000638081528 452398663 /nfs/dbraw/zinc/39/86/63/452398663.db2.gz MQHNGYCWSXNZFB-OAHLLOKOSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CCC3C[NH2+]C3)c2)CCO1 ZINC000638081528 452398670 /nfs/dbraw/zinc/39/86/70/452398670.db2.gz MQHNGYCWSXNZFB-OAHLLOKOSA-N 2 1 331.460 1.523 20 0 EDADMP CC[NH2+][C@H](C)CNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000659541178 452400206 /nfs/dbraw/zinc/40/02/06/452400206.db2.gz ZZOVDQSLFUBGLH-PBHICJAKSA-N 2 1 334.464 1.050 20 0 EDADMP CC[N@@H+](CCCNC(=O)N1CCCO[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000652227231 452419184 /nfs/dbraw/zinc/41/91/84/452419184.db2.gz BVSRFKCUCPPUSZ-KRWDZBQOSA-N 2 1 340.512 1.790 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654377479 452430375 /nfs/dbraw/zinc/43/03/75/452430375.db2.gz MQPQXWZEBBNEQU-CALCHBBNSA-N 2 1 339.528 1.044 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]CC[C@@]3(C)CC3(F)F)cn2)CC1 ZINC000657670277 452432215 /nfs/dbraw/zinc/43/22/15/452432215.db2.gz FDUXGOMOUWPZFK-HNNXBMFYSA-N 2 1 325.407 1.753 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659584001 452439375 /nfs/dbraw/zinc/43/93/75/452439375.db2.gz VHJRXWZLMYWHHG-ROUUACIJSA-N 2 1 346.450 1.832 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@](O)(C2CC2)C1)c1ccccc1 ZINC000661629678 452449098 /nfs/dbraw/zinc/44/90/98/452449098.db2.gz ZZZBWRNZHIZQRM-ICSRJNTNSA-N 2 1 345.487 1.642 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654405273 452455752 /nfs/dbraw/zinc/45/57/52/452455752.db2.gz HRUZXZDPUMUHAW-YHUYYLMFSA-N 2 1 328.501 1.514 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654405273 452455756 /nfs/dbraw/zinc/45/57/56/452455756.db2.gz HRUZXZDPUMUHAW-YHUYYLMFSA-N 2 1 328.501 1.514 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654404508 452456900 /nfs/dbraw/zinc/45/69/00/452456900.db2.gz OIEZHFOCSFQBML-IAGOWNOFSA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CC1=CCCOC1)c1ccccc1 ZINC000661656650 452470766 /nfs/dbraw/zinc/47/07/66/452470766.db2.gz ZRJJIFDQKZUBBW-SFHVURJKSA-N 2 1 331.460 1.684 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CC1=CCCOC1)c1ccccc1 ZINC000661656650 452470772 /nfs/dbraw/zinc/47/07/72/452470772.db2.gz ZRJJIFDQKZUBBW-SFHVURJKSA-N 2 1 331.460 1.684 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654423059 452476609 /nfs/dbraw/zinc/47/66/09/452476609.db2.gz ZRJZTRDPHTVDMF-XUWVNRHRSA-N 2 1 328.501 1.514 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654423059 452476615 /nfs/dbraw/zinc/47/66/15/452476615.db2.gz ZRJZTRDPHTVDMF-XUWVNRHRSA-N 2 1 328.501 1.514 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654423059 452476618 /nfs/dbraw/zinc/47/66/18/452476618.db2.gz ZRJZTRDPHTVDMF-XUWVNRHRSA-N 2 1 328.501 1.514 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654423059 452476625 /nfs/dbraw/zinc/47/66/25/452476625.db2.gz ZRJZTRDPHTVDMF-XUWVNRHRSA-N 2 1 328.501 1.514 20 0 EDADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345452 452518549 /nfs/dbraw/zinc/51/85/49/452518549.db2.gz CCXHXKJNYIYFCW-RZFLPCETSA-N 2 1 337.508 1.994 20 0 EDADMP Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652345992 452518586 /nfs/dbraw/zinc/51/85/86/452518586.db2.gz QNYXJJWKQAYGTF-FHWLQOOXSA-N 2 1 345.487 1.830 20 0 EDADMP Cc1csc(=O)n1CC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346752 452523593 /nfs/dbraw/zinc/52/35/93/452523593.db2.gz GWVKHGIXYIHOCB-KKUMJFAQSA-N 2 1 325.478 1.437 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000647806702 452540156 /nfs/dbraw/zinc/54/01/56/452540156.db2.gz SKVJIMNXGINTGS-UHFFFAOYSA-N 2 1 347.459 1.031 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652362321 452544391 /nfs/dbraw/zinc/54/43/91/452544391.db2.gz DLVQJPFMUZFLKK-BZUAXINKSA-N 2 1 349.479 1.336 20 0 EDADMP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652362321 452544396 /nfs/dbraw/zinc/54/43/96/452544396.db2.gz DLVQJPFMUZFLKK-BZUAXINKSA-N 2 1 349.479 1.336 20 0 EDADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834842 452567655 /nfs/dbraw/zinc/56/76/55/452567655.db2.gz AYYPHURVOTWAMP-LBPRGKRZSA-N 2 1 342.846 1.643 20 0 EDADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834842 452567664 /nfs/dbraw/zinc/56/76/64/452567664.db2.gz AYYPHURVOTWAMP-LBPRGKRZSA-N 2 1 342.846 1.643 20 0 EDADMP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834887 452571424 /nfs/dbraw/zinc/57/14/24/452571424.db2.gz DFEVKKREHJVZAR-SJORKVTESA-N 2 1 332.492 1.398 20 0 EDADMP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834887 452571434 /nfs/dbraw/zinc/57/14/34/452571434.db2.gz DFEVKKREHJVZAR-SJORKVTESA-N 2 1 332.492 1.398 20 0 EDADMP Cc1ccc([C@@H](NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000647835646 452572846 /nfs/dbraw/zinc/57/28/46/452572846.db2.gz GXCHGJVJNZUVOR-HXUWFJFHSA-N 2 1 344.503 1.399 20 0 EDADMP Cc1ccc([C@@H](NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000647835646 452572848 /nfs/dbraw/zinc/57/28/48/452572848.db2.gz GXCHGJVJNZUVOR-HXUWFJFHSA-N 2 1 344.503 1.399 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663849486 452576337 /nfs/dbraw/zinc/57/63/37/452576337.db2.gz JTVDWMHBSTXWSR-ARFHVFGLSA-N 2 1 338.496 1.269 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659726281 452620250 /nfs/dbraw/zinc/62/02/50/452620250.db2.gz CALFPECEYPMKFP-INIZCTEOSA-N 2 1 346.475 1.011 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000652460614 452656122 /nfs/dbraw/zinc/65/61/22/452656122.db2.gz AHEWFUAOJPVJNH-HOTGVXAUSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000652460614 452656126 /nfs/dbraw/zinc/65/61/26/452656126.db2.gz AHEWFUAOJPVJNH-HOTGVXAUSA-N 2 1 340.512 1.022 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000652460614 452656133 /nfs/dbraw/zinc/65/61/33/452656133.db2.gz AHEWFUAOJPVJNH-HOTGVXAUSA-N 2 1 340.512 1.022 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cn1 ZINC000655940536 452710169 /nfs/dbraw/zinc/71/01/69/452710169.db2.gz UCMWYWZZEWECOP-IRXDYDNUSA-N 2 1 329.448 1.110 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cn1 ZINC000655940536 452710176 /nfs/dbraw/zinc/71/01/76/452710176.db2.gz UCMWYWZZEWECOP-IRXDYDNUSA-N 2 1 329.448 1.110 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@H](NC2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000658090768 452721381 /nfs/dbraw/zinc/72/13/81/452721381.db2.gz IXLSPNJOLHUAMQ-SFHVURJKSA-N 2 1 338.540 1.245 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649249 452741596 /nfs/dbraw/zinc/74/15/96/452741596.db2.gz ACXOUMVJEQJRNC-AIANPOQGSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649249 452741607 /nfs/dbraw/zinc/74/16/07/452741607.db2.gz ACXOUMVJEQJRNC-AIANPOQGSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649249 452741617 /nfs/dbraw/zinc/74/16/17/452741617.db2.gz ACXOUMVJEQJRNC-AIANPOQGSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649249 452741627 /nfs/dbraw/zinc/74/16/27/452741627.db2.gz ACXOUMVJEQJRNC-AIANPOQGSA-N 2 1 338.496 1.362 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650324 452745950 /nfs/dbraw/zinc/74/59/50/452745950.db2.gz DMMXIMUHQGCISI-OVYGPGRDSA-N 2 1 340.512 1.608 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650324 452745960 /nfs/dbraw/zinc/74/59/60/452745960.db2.gz DMMXIMUHQGCISI-OVYGPGRDSA-N 2 1 340.512 1.608 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650324 452745967 /nfs/dbraw/zinc/74/59/67/452745967.db2.gz DMMXIMUHQGCISI-OVYGPGRDSA-N 2 1 340.512 1.608 20 0 EDADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650324 452745972 /nfs/dbraw/zinc/74/59/72/452745972.db2.gz DMMXIMUHQGCISI-OVYGPGRDSA-N 2 1 340.512 1.608 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969623 452750419 /nfs/dbraw/zinc/75/04/19/452750419.db2.gz VULMQUHHQOSYGF-HRCADAONSA-N 2 1 348.491 1.703 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655969623 452750424 /nfs/dbraw/zinc/75/04/24/452750424.db2.gz VULMQUHHQOSYGF-HRCADAONSA-N 2 1 348.491 1.703 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000655971176 452752219 /nfs/dbraw/zinc/75/22/19/452752219.db2.gz VKPBQKZXVUTLBX-RBZJEDDUSA-N 2 1 326.485 1.253 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000655971176 452752225 /nfs/dbraw/zinc/75/22/25/452752225.db2.gz VKPBQKZXVUTLBX-RBZJEDDUSA-N 2 1 326.485 1.253 20 0 EDADMP C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658145606 452753377 /nfs/dbraw/zinc/75/33/77/452753377.db2.gz RQUCXZUVUFLOFN-YSIASYRMSA-N 2 1 348.487 1.655 20 0 EDADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000655975809 452758224 /nfs/dbraw/zinc/75/82/24/452758224.db2.gz XBRSOOODSLZZOI-KZNAEPCWSA-N 2 1 343.475 1.754 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000655975809 452758230 /nfs/dbraw/zinc/75/82/30/452758230.db2.gz XBRSOOODSLZZOI-KZNAEPCWSA-N 2 1 343.475 1.754 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000664066800 452759731 /nfs/dbraw/zinc/75/97/31/452759731.db2.gz ZXLAIUYVJTXTOX-HNNXBMFYSA-N 2 1 328.501 1.517 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000664066800 452759736 /nfs/dbraw/zinc/75/97/36/452759736.db2.gz ZXLAIUYVJTXTOX-HNNXBMFYSA-N 2 1 328.501 1.517 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000664066800 452759744 /nfs/dbraw/zinc/75/97/44/452759744.db2.gz ZXLAIUYVJTXTOX-HNNXBMFYSA-N 2 1 328.501 1.517 20 0 EDADMP O=S1(=O)CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658168465 452765501 /nfs/dbraw/zinc/76/55/01/452765501.db2.gz XIKIASAJKQVXPS-KRWDZBQOSA-N 2 1 337.489 1.460 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000664141245 452818153 /nfs/dbraw/zinc/81/81/53/452818153.db2.gz LIVBUOQPSXJPTO-IKGGRYGDSA-N 2 1 342.528 1.763 20 0 EDADMP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000648179240 452891046 /nfs/dbraw/zinc/89/10/46/452891046.db2.gz WHUUDDFOIYGDNM-RKVPGOIHSA-N 2 1 343.475 1.333 20 0 EDADMP CN(C)CC[NH+]1CCC(NC(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000650627607 452891783 /nfs/dbraw/zinc/89/17/83/452891783.db2.gz SQZMKCPSDKJPOH-UHFFFAOYSA-N 2 1 339.528 1.140 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCS[C@@H]1C ZINC000645915857 452896627 /nfs/dbraw/zinc/89/66/27/452896627.db2.gz HHVUFHIEWMEVHF-BZUAXINKSA-N 2 1 342.553 1.938 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ncnn1C ZINC000664258471 452939820 /nfs/dbraw/zinc/93/98/20/452939820.db2.gz CFAACXVDOAUJHT-UHFFFAOYSA-N 2 1 348.495 1.083 20 0 EDADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248485 452973501 /nfs/dbraw/zinc/97/35/01/452973501.db2.gz DCDNYMDOHAJDMB-PBHICJAKSA-N 2 1 327.432 1.781 20 0 EDADMP Clc1ccc(OCC[NH+]2CCN(C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000662259373 452988617 /nfs/dbraw/zinc/98/86/17/452988617.db2.gz WBCRDPIPQLDPKA-QGZVFWFLSA-N 2 1 339.867 1.325 20 0 EDADMP c1ccn2c(c1)nnc2[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662260173 452991345 /nfs/dbraw/zinc/99/13/45/452991345.db2.gz GVYDSEPYTAQKLE-LSDHHAIUSA-N 2 1 327.432 1.430 20 0 EDADMP Cc1cc(N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)nc(C(C)C)n1 ZINC000662261228 452991516 /nfs/dbraw/zinc/99/15/16/452991516.db2.gz VDGNWJGUNFWMPD-MRXNPFEDSA-N 2 1 345.491 1.551 20 0 EDADMP CCc1nc(CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cs1 ZINC000662260346 452991572 /nfs/dbraw/zinc/99/15/72/452991572.db2.gz LWIIUSKGHLRAJU-OAHLLOKOSA-N 2 1 336.505 1.344 20 0 EDADMP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000662263265 452992716 /nfs/dbraw/zinc/99/27/16/452992716.db2.gz MPADBUHDBFLRCY-RBUKOAKNSA-N 3 1 329.488 1.961 20 0 EDADMP C[NH+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662263265 452992724 /nfs/dbraw/zinc/99/27/24/452992724.db2.gz MPADBUHDBFLRCY-RBUKOAKNSA-N 3 1 329.488 1.961 20 0 EDADMP C[NH+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662263265 452992728 /nfs/dbraw/zinc/99/27/28/452992728.db2.gz MPADBUHDBFLRCY-RBUKOAKNSA-N 3 1 329.488 1.961 20 0 EDADMP CN(C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662263265 452992736 /nfs/dbraw/zinc/99/27/36/452992736.db2.gz MPADBUHDBFLRCY-RBUKOAKNSA-N 2 1 329.488 1.961 20 0 EDADMP CN(C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662263265 452992743 /nfs/dbraw/zinc/99/27/43/452992743.db2.gz MPADBUHDBFLRCY-RBUKOAKNSA-N 2 1 329.488 1.961 20 0 EDADMP C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662263265 452992750 /nfs/dbraw/zinc/99/27/50/452992750.db2.gz MPADBUHDBFLRCY-RBUKOAKNSA-N 2 1 329.488 1.961 20 0 EDADMP C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662263265 452992756 /nfs/dbraw/zinc/99/27/56/452992756.db2.gz MPADBUHDBFLRCY-RBUKOAKNSA-N 2 1 329.488 1.961 20 0 EDADMP COc1ccccc1CN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662262625 452994638 /nfs/dbraw/zinc/99/46/38/452994638.db2.gz WTJVDGSOENTNBS-KRWDZBQOSA-N 2 1 331.460 1.334 20 0 EDADMP CO[C@H](C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000662266356 452995801 /nfs/dbraw/zinc/99/58/01/452995801.db2.gz WREWMPKANMBEOO-BPQIPLTHSA-N 2 1 337.508 1.772 20 0 EDADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)cc1 ZINC000662315827 453033689 /nfs/dbraw/zinc/03/36/89/453033689.db2.gz HJFVMILRCPKXJH-IRXDYDNUSA-N 2 1 333.476 1.974 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662319236 453036069 /nfs/dbraw/zinc/03/60/69/453036069.db2.gz LCIFXXZDXLKOML-PKOBYXMFSA-N 2 1 336.476 1.777 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662319236 453036076 /nfs/dbraw/zinc/03/60/76/453036076.db2.gz LCIFXXZDXLKOML-PKOBYXMFSA-N 2 1 336.476 1.777 20 0 EDADMP C[C@H](c1cnccn1)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337637 453056745 /nfs/dbraw/zinc/05/67/45/453056745.db2.gz MLEFWBXQEFKQCX-CABCVRRESA-N 2 1 341.463 1.550 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)on1 ZINC000662337613 453056934 /nfs/dbraw/zinc/05/69/34/453056934.db2.gz MAKDPBPKWCVSGN-CQSZACIVSA-N 2 1 330.436 1.495 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH+]1CCCCC1 ZINC000650863781 453064132 /nfs/dbraw/zinc/06/41/32/453064132.db2.gz CLXBBYYXASRCMB-INIZCTEOSA-N 2 1 326.485 1.225 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000666723858 453099193 /nfs/dbraw/zinc/09/91/93/453099193.db2.gz UKQNAMISAJEKKE-UHFFFAOYSA-N 2 1 346.475 1.677 20 0 EDADMP C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3C[NH+](C)Cc4ccccc43)C2)C1 ZINC000644202217 453133358 /nfs/dbraw/zinc/13/33/58/453133358.db2.gz QPEGWFNBVMJQOK-MJGOQNOKSA-N 2 1 328.460 1.910 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3C[NH+](C)Cc4ccccc43)C2)C1 ZINC000644202217 453133363 /nfs/dbraw/zinc/13/33/63/453133363.db2.gz QPEGWFNBVMJQOK-MJGOQNOKSA-N 2 1 328.460 1.910 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)C2)C1 ZINC000644202217 453133369 /nfs/dbraw/zinc/13/33/69/453133369.db2.gz QPEGWFNBVMJQOK-MJGOQNOKSA-N 2 1 328.460 1.910 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)C2)C1 ZINC000644202217 453133377 /nfs/dbraw/zinc/13/33/77/453133377.db2.gz QPEGWFNBVMJQOK-MJGOQNOKSA-N 2 1 328.460 1.910 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662428543 453135190 /nfs/dbraw/zinc/13/51/90/453135190.db2.gz FMLFGYPSIAYTEO-HUUCEWRRSA-N 2 1 333.480 1.871 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000662437462 453144306 /nfs/dbraw/zinc/14/43/06/453144306.db2.gz PXHPZVPTTLMCLG-IBGZPJMESA-N 2 1 347.503 1.906 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000662443913 453150528 /nfs/dbraw/zinc/15/05/28/453150528.db2.gz AZYUTDNQBJIGAN-MSOLQXFVSA-N 2 1 333.476 1.420 20 0 EDADMP c1c(CN2CCC([NH2+]C3CCOCC3)CC2)nnn1-c1cc[nH+]cc1 ZINC000656441359 453183426 /nfs/dbraw/zinc/18/34/26/453183426.db2.gz ZTMCTPPXLZBYBY-UHFFFAOYSA-N 2 1 342.447 1.395 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662474706 453187532 /nfs/dbraw/zinc/18/75/32/453187532.db2.gz BFHANAYPKVSFHU-KRWDZBQOSA-N 2 1 333.476 1.763 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000660298330 453187506 /nfs/dbraw/zinc/18/75/06/453187506.db2.gz USNXXBBWUZLSAX-JKSUJKDBSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000660298330 453187515 /nfs/dbraw/zinc/18/75/15/453187515.db2.gz USNXXBBWUZLSAX-JKSUJKDBSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](Cn2cc([C@H]([NH3+])c3ccccc3)nn2)C1 ZINC000656448911 453189927 /nfs/dbraw/zinc/18/99/27/453189927.db2.gz PQFQMFHOZCIFLM-FUHWJXTLSA-N 2 1 329.448 1.683 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C[C@@H](C)O1 ZINC000660301603 453191145 /nfs/dbraw/zinc/19/11/45/453191145.db2.gz VOYSUIHDEWHJGP-OAGGEKHMSA-N 2 1 340.512 1.658 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000651053802 453227057 /nfs/dbraw/zinc/22/70/57/453227057.db2.gz XATMSXZLAOPLGV-GOSISDBHSA-N 2 1 348.491 1.133 20 0 EDADMP C[NH+](C)CCOCCNC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000651053802 453227068 /nfs/dbraw/zinc/22/70/68/453227068.db2.gz XATMSXZLAOPLGV-GOSISDBHSA-N 2 1 348.491 1.133 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000666921466 453241809 /nfs/dbraw/zinc/24/18/09/453241809.db2.gz WBDHWBZJGPEVBW-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)C1 ZINC000666921466 453241818 /nfs/dbraw/zinc/24/18/18/453241818.db2.gz WBDHWBZJGPEVBW-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)C1 ZINC000666921466 453241826 /nfs/dbraw/zinc/24/18/26/453241826.db2.gz WBDHWBZJGPEVBW-MRXNPFEDSA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000666920221 453242397 /nfs/dbraw/zinc/24/23/97/453242397.db2.gz PZKZVGJLSOVYRD-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000651079210 453249650 /nfs/dbraw/zinc/24/96/50/453249650.db2.gz LZRRAGBNUYPCDN-UHFFFAOYSA-N 2 1 341.544 1.290 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000651079210 453249656 /nfs/dbraw/zinc/24/96/56/453249656.db2.gz LZRRAGBNUYPCDN-UHFFFAOYSA-N 2 1 341.544 1.290 20 0 EDADMP CC(C)C[NH+](C)CCCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000651079210 453249662 /nfs/dbraw/zinc/24/96/62/453249662.db2.gz LZRRAGBNUYPCDN-UHFFFAOYSA-N 2 1 341.544 1.290 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000648782144 453266833 /nfs/dbraw/zinc/26/68/33/453266833.db2.gz UOSZHVXOIAYQMD-JKSUJKDBSA-N 2 1 335.496 1.539 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666973080 453288291 /nfs/dbraw/zinc/28/82/91/453288291.db2.gz OODJBXMJBMGJOI-NVXWUHKLSA-N 2 1 338.496 1.223 20 0 EDADMP O=C(N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653107495 453289581 /nfs/dbraw/zinc/28/95/81/453289581.db2.gz MBTGDDWWXJUCJW-LPHOPBHVSA-N 2 1 347.434 1.096 20 0 EDADMP O=C(N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653107495 453289586 /nfs/dbraw/zinc/28/95/86/453289586.db2.gz MBTGDDWWXJUCJW-LPHOPBHVSA-N 2 1 347.434 1.096 20 0 EDADMP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000653107823 453291093 /nfs/dbraw/zinc/29/10/93/453291093.db2.gz ZVEQSRVGSJUZFA-MOPGFXCFSA-N 2 1 327.472 1.904 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccn2ccnc2c1 ZINC000666974913 453293061 /nfs/dbraw/zinc/29/30/61/453293061.db2.gz BYRPPYOWWNRZLZ-AWEZNQCLSA-N 2 1 332.452 1.728 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccn2ccnc2c1 ZINC000666974913 453293067 /nfs/dbraw/zinc/29/30/67/453293067.db2.gz BYRPPYOWWNRZLZ-AWEZNQCLSA-N 2 1 332.452 1.728 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653119197 453308817 /nfs/dbraw/zinc/30/88/17/453308817.db2.gz BCMPDGXBAARQSN-ZWKOTPCHSA-N 2 1 332.492 1.246 20 0 EDADMP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000653121797 453313300 /nfs/dbraw/zinc/31/33/00/453313300.db2.gz BUYKCPKTMBWJRE-YCPHGPKFSA-N 2 1 338.521 1.526 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000653125037 453319617 /nfs/dbraw/zinc/31/96/17/453319617.db2.gz RDWGNPSGSNUSDC-ROUUACIJSA-N 2 1 344.503 1.703 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)CC[N@H+]1C ZINC000648869283 453346110 /nfs/dbraw/zinc/34/61/10/453346110.db2.gz NBDQOXMLBNGILI-CYGHRXIMSA-N 2 1 347.507 1.602 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CC[NH+]1C ZINC000648869283 453346116 /nfs/dbraw/zinc/34/61/16/453346116.db2.gz NBDQOXMLBNGILI-CYGHRXIMSA-N 2 1 347.507 1.602 20 0 EDADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)CC[NH+]1C ZINC000648869283 453346126 /nfs/dbraw/zinc/34/61/26/453346126.db2.gz NBDQOXMLBNGILI-CYGHRXIMSA-N 2 1 347.507 1.602 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn(CC3CC3)nn2)CC1 ZINC000648882825 453359425 /nfs/dbraw/zinc/35/94/25/453359425.db2.gz AICWYPNWAPKLIO-UHFFFAOYSA-N 2 1 341.419 1.087 20 0 EDADMP CCOc1ccc(C[NH+]2CCN(C[C@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000656694410 453367972 /nfs/dbraw/zinc/36/79/72/453367972.db2.gz OXFJPLZPSLQHCA-LJQANCHMSA-N 2 1 349.519 1.904 20 0 EDADMP CCOc1ccc(C[NH+]2CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC000656694410 453367982 /nfs/dbraw/zinc/36/79/82/453367982.db2.gz OXFJPLZPSLQHCA-LJQANCHMSA-N 2 1 349.519 1.904 20 0 EDADMP [NH3+]C1(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC2(CCC2)C1 ZINC000662670756 453384552 /nfs/dbraw/zinc/38/45/52/453384552.db2.gz JKGAKYKOTGTQEU-UHFFFAOYSA-N 2 1 343.471 1.797 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000658784830 453392870 /nfs/dbraw/zinc/39/28/70/453392870.db2.gz SXRMQJUMIKYZPL-KRWDZBQOSA-N 2 1 346.475 1.596 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000664890579 453468455 /nfs/dbraw/zinc/46/84/55/453468455.db2.gz WWQBVZOOEABKCN-IRXDYDNUSA-N 2 1 338.496 1.413 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662743696 453471473 /nfs/dbraw/zinc/47/14/73/453471473.db2.gz KWHQCYZNBQUVEK-MJGOQNOKSA-N 2 1 332.492 1.436 20 0 EDADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662743696 453471480 /nfs/dbraw/zinc/47/14/80/453471480.db2.gz KWHQCYZNBQUVEK-MJGOQNOKSA-N 2 1 332.492 1.436 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC[C@H]1F ZINC000662747781 453478764 /nfs/dbraw/zinc/47/87/64/453478764.db2.gz BEJACIOTHWMMHP-USXIJHARSA-N 2 1 337.414 1.935 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662793976 453529427 /nfs/dbraw/zinc/52/94/27/453529427.db2.gz LWSKEARBVVVWDT-YQQAZPJKSA-N 2 1 346.479 1.149 20 0 EDADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655443038 453530856 /nfs/dbraw/zinc/53/08/56/453530856.db2.gz LCJPSPYVNNSBJM-QUCCMNQESA-N 2 1 343.471 1.525 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662819359 453550254 /nfs/dbraw/zinc/55/02/54/453550254.db2.gz DDUWSUIOYNKOFG-NKWVEPMBSA-N 2 1 332.267 1.969 20 0 EDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662826031 453553835 /nfs/dbraw/zinc/55/38/35/453553835.db2.gz QWZUTXBAUYGKMX-BPQIPLTHSA-N 2 1 337.508 1.853 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662851694 453571542 /nfs/dbraw/zinc/57/15/42/453571542.db2.gz BXQZKCDBFBJXIY-ZIAGYGMSSA-N 2 1 334.468 1.195 20 0 EDADMP C[C@H]1CN(CCNC(=O)NCc2ccc3cncn3c2)[C@@H](C)CO1 ZINC000665111198 453577806 /nfs/dbraw/zinc/57/78/06/453577806.db2.gz WAAKNDJJZFWNPZ-KBPBESRZSA-N 2 1 331.420 1.243 20 0 EDADMP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000665240855 453621125 /nfs/dbraw/zinc/62/11/25/453621125.db2.gz ULJGFERAHQFCSK-LZQZEXGQSA-N 2 1 333.476 1.110 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659096354 453629131 /nfs/dbraw/zinc/62/91/31/453629131.db2.gz PBTWHVISXDVZFI-OAHLLOKOSA-N 2 1 346.475 1.724 20 0 EDADMP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000665557278 453749088 /nfs/dbraw/zinc/74/90/88/453749088.db2.gz QIYHQDSLPUOOSS-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000665557278 453749091 /nfs/dbraw/zinc/74/90/91/453749091.db2.gz QIYHQDSLPUOOSS-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cccnc3N3CCCC3)[C@H]2C1 ZINC000665617635 453768547 /nfs/dbraw/zinc/76/85/47/453768547.db2.gz QHMYWWKHUCWTPG-WBVHZDCISA-N 2 1 343.475 1.917 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657356054 453773482 /nfs/dbraw/zinc/77/34/82/453773482.db2.gz GLUDKIWEDYFIOH-SFHVURJKSA-N 2 1 329.448 1.594 20 0 EDADMP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657356054 453773486 /nfs/dbraw/zinc/77/34/86/453773486.db2.gz GLUDKIWEDYFIOH-SFHVURJKSA-N 2 1 329.448 1.594 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657356054 453773488 /nfs/dbraw/zinc/77/34/88/453773488.db2.gz GLUDKIWEDYFIOH-SFHVURJKSA-N 2 1 329.448 1.594 20 0 EDADMP C[N@@H+](CCCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000661296674 453786991 /nfs/dbraw/zinc/78/69/91/453786991.db2.gz HDIGBCCWMMPPCL-KRWDZBQOSA-N 2 1 338.496 1.413 20 0 EDADMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCOC2(C[NH2+]C2)C1 ZINC000663487368 453807915 /nfs/dbraw/zinc/80/79/15/453807915.db2.gz FGVSFLMZTGLCEX-QGZVFWFLSA-N 2 1 329.444 1.242 20 0 EDADMP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663497094 453810473 /nfs/dbraw/zinc/81/04/73/453810473.db2.gz BQQYJZOIIHXYST-WHENESEISA-N 2 1 333.432 1.763 20 0 EDADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663514054 453813997 /nfs/dbraw/zinc/81/39/97/453813997.db2.gz VSWJFMUYBSLMPI-OAHLLOKOSA-N 2 1 343.479 1.539 20 0 EDADMP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)c1 ZINC000676248745 486707347 /nfs/dbraw/zinc/70/73/47/486707347.db2.gz CHJFRCWCZCOUBB-MAUKXSAKSA-N 2 1 348.491 1.657 20 0 EDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)c1 ZINC000676248745 486707350 /nfs/dbraw/zinc/70/73/50/486707350.db2.gz CHJFRCWCZCOUBB-MAUKXSAKSA-N 2 1 348.491 1.657 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000676248745 486707353 /nfs/dbraw/zinc/70/73/53/486707353.db2.gz CHJFRCWCZCOUBB-MAUKXSAKSA-N 2 1 348.491 1.657 20 0 EDADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000676248745 486707355 /nfs/dbraw/zinc/70/73/55/486707355.db2.gz CHJFRCWCZCOUBB-MAUKXSAKSA-N 2 1 348.491 1.657 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000576965449 486772745 /nfs/dbraw/zinc/77/27/45/486772745.db2.gz CJRSWPZHHFRPOJ-IRXDYDNUSA-N 2 1 331.464 1.612 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000576965449 486772746 /nfs/dbraw/zinc/77/27/46/486772746.db2.gz CJRSWPZHHFRPOJ-IRXDYDNUSA-N 2 1 331.464 1.612 20 0 EDADMP CC[C@@H]1C[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[C@H]1[NH3+] ZINC000318899856 486814427 /nfs/dbraw/zinc/81/44/27/486814427.db2.gz QGRCSPFPCVZMJW-GDBMZVCRSA-N 2 1 325.478 1.496 20 0 EDADMP CC[C@@H]1C[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[C@H]1[NH3+] ZINC000318899856 486814433 /nfs/dbraw/zinc/81/44/33/486814433.db2.gz QGRCSPFPCVZMJW-GDBMZVCRSA-N 2 1 325.478 1.496 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000672961646 486856536 /nfs/dbraw/zinc/85/65/36/486856536.db2.gz JQQSLRBFWPSHFZ-BURFUSLBSA-N 2 1 348.491 1.696 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000672961646 486856539 /nfs/dbraw/zinc/85/65/39/486856539.db2.gz JQQSLRBFWPSHFZ-BURFUSLBSA-N 2 1 348.491 1.696 20 0 EDADMP C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681136493 486948287 /nfs/dbraw/zinc/94/82/87/486948287.db2.gz VNJDDNPMIOITRK-SFHVURJKSA-N 2 1 348.535 1.743 20 0 EDADMP COCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000684164018 486964171 /nfs/dbraw/zinc/96/41/71/486964171.db2.gz QLQMUOKKSCURIL-MRXNPFEDSA-N 2 1 325.497 1.868 20 0 EDADMP COCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000684164018 486964175 /nfs/dbraw/zinc/96/41/75/486964175.db2.gz QLQMUOKKSCURIL-MRXNPFEDSA-N 2 1 325.497 1.868 20 0 EDADMP COCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000684164018 486964178 /nfs/dbraw/zinc/96/41/78/486964178.db2.gz QLQMUOKKSCURIL-MRXNPFEDSA-N 2 1 325.497 1.868 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1 ZINC000684193982 486978526 /nfs/dbraw/zinc/97/85/26/486978526.db2.gz CLTQSVLRMFUDNP-KSZLIROESA-N 2 1 346.523 1.415 20 0 EDADMP CC[NH+]1CCN(c2cc(N3CC[N@H+](CC)[C@H](C)C3)ncn2)C[C@H]1C ZINC000681236710 486985092 /nfs/dbraw/zinc/98/50/92/486985092.db2.gz SVRLRMOCSUKWJX-HZPDHXFCSA-N 2 1 332.496 1.537 20 0 EDADMP CO[C@H](CC(C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000667954433 487030561 /nfs/dbraw/zinc/03/05/61/487030561.db2.gz GTYNXNHBYPUSSJ-DLBZAZTESA-N 2 1 325.497 1.674 20 0 EDADMP CO[C@H](CC(C)C)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000667954433 487030565 /nfs/dbraw/zinc/03/05/65/487030565.db2.gz GTYNXNHBYPUSSJ-DLBZAZTESA-N 2 1 325.497 1.674 20 0 EDADMP C[C@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCO1 ZINC000667968856 487039863 /nfs/dbraw/zinc/03/98/63/487039863.db2.gz VGNWUBSCJXLYIB-MAUKXSAKSA-N 2 1 331.460 1.270 20 0 EDADMP C[C@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCO1 ZINC000667968856 487039871 /nfs/dbraw/zinc/03/98/71/487039871.db2.gz VGNWUBSCJXLYIB-MAUKXSAKSA-N 2 1 331.460 1.270 20 0 EDADMP C[C@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000667968856 487039877 /nfs/dbraw/zinc/03/98/77/487039877.db2.gz VGNWUBSCJXLYIB-MAUKXSAKSA-N 2 1 331.460 1.270 20 0 EDADMP C[C@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000667968856 487039884 /nfs/dbraw/zinc/03/98/84/487039884.db2.gz VGNWUBSCJXLYIB-MAUKXSAKSA-N 2 1 331.460 1.270 20 0 EDADMP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673530939 487050077 /nfs/dbraw/zinc/05/00/77/487050077.db2.gz MRDYQFGDZSYSNI-RBUKOAKNSA-N 2 1 345.487 1.472 20 0 EDADMP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673530937 487050898 /nfs/dbraw/zinc/05/08/98/487050898.db2.gz MRDYQFGDZSYSNI-OALUTQOASA-N 2 1 345.487 1.472 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673869090 487140180 /nfs/dbraw/zinc/14/01/80/487140180.db2.gz LFWIAPNPSYYFJL-GASCZTMLSA-N 2 1 336.484 1.829 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cn1 ZINC000673869196 487140773 /nfs/dbraw/zinc/14/07/73/487140773.db2.gz NEUCRFVBPZPYPR-UHFFFAOYSA-N 2 1 336.484 1.783 20 0 EDADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC000681764570 487161731 /nfs/dbraw/zinc/16/17/31/487161731.db2.gz ASPNSPALUZVUIY-MJGOQNOKSA-N 2 1 331.460 1.034 20 0 EDADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000681764570 487161735 /nfs/dbraw/zinc/16/17/35/487161735.db2.gz ASPNSPALUZVUIY-MJGOQNOKSA-N 2 1 331.460 1.034 20 0 EDADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000681764570 487161739 /nfs/dbraw/zinc/16/17/39/487161739.db2.gz ASPNSPALUZVUIY-MJGOQNOKSA-N 2 1 331.460 1.034 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3cccnc3)CC2)CC1 ZINC000678167800 487260929 /nfs/dbraw/zinc/26/09/29/487260929.db2.gz KVXIQCJTRILXHQ-UHFFFAOYSA-N 2 1 330.476 1.862 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[N@@H+]1C1CC1 ZINC000674707383 487301619 /nfs/dbraw/zinc/30/16/19/487301619.db2.gz COWXKGJBJPIEDE-VYDXJSESSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[N@H+]1C1CC1 ZINC000674707383 487301620 /nfs/dbraw/zinc/30/16/20/487301620.db2.gz COWXKGJBJPIEDE-VYDXJSESSA-N 2 1 336.480 1.118 20 0 EDADMP CC[N@H+]1CCO[C@H](CNC(=O)Cc2cncn2Cc2ccccc2)C1 ZINC000685743798 487317327 /nfs/dbraw/zinc/31/73/27/487317327.db2.gz VIYIMJPDDPJYBM-GOSISDBHSA-N 2 1 342.443 1.311 20 0 EDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000682295994 487341053 /nfs/dbraw/zinc/34/10/53/487341053.db2.gz TUXLFFBBIOJKFG-ZFWWWQNUSA-N 2 1 341.415 1.216 20 0 EDADMP Cc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)c(N2CCCC2)[nH+]1 ZINC000679687388 487457538 /nfs/dbraw/zinc/45/75/38/487457538.db2.gz ZNMZKKPYBSDCBU-MRXNPFEDSA-N 2 1 331.464 1.884 20 0 EDADMP Cc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)c(N2CCCC2)[nH+]1 ZINC000679687388 487457540 /nfs/dbraw/zinc/45/75/40/487457540.db2.gz ZNMZKKPYBSDCBU-MRXNPFEDSA-N 2 1 331.464 1.884 20 0 EDADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)CC[N@H+]2CCCC[C@H]2C)C1 ZINC000502559153 487458396 /nfs/dbraw/zinc/45/83/96/487458396.db2.gz NDXLLJKDJSONPJ-SQNIBIBYSA-N 2 1 337.508 1.963 20 0 EDADMP Cc1ccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)c(N2CCCC2)[nH+]1 ZINC000679704871 487459693 /nfs/dbraw/zinc/45/96/93/487459693.db2.gz GUHNLSACWAWUFY-SFHVURJKSA-N 2 1 349.479 1.102 20 0 EDADMP Cc1ccc(CNC(=O)N2CCC[N@@H+](C)CC2)c(N2CCCC2)[nH+]1 ZINC000679704203 487459807 /nfs/dbraw/zinc/45/98/07/487459807.db2.gz AQUROAUVIDSUOC-UHFFFAOYSA-N 2 1 331.464 1.837 20 0 EDADMP Cc1ccc(CNC(=O)N2CCC[N@H+](C)CC2)c(N2CCCC2)[nH+]1 ZINC000679704203 487459809 /nfs/dbraw/zinc/45/98/09/487459809.db2.gz AQUROAUVIDSUOC-UHFFFAOYSA-N 2 1 331.464 1.837 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000668942714 485476553 /nfs/dbraw/zinc/47/65/53/485476553.db2.gz MFEZOEOXCQWOSF-CABCVRRESA-N 2 1 340.512 1.070 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000669517964 485483936 /nfs/dbraw/zinc/48/39/36/485483936.db2.gz CNPYEXKSHNJRNJ-BBRMVZONSA-N 2 1 338.427 1.015 20 0 EDADMP [NH3+][C@@H](CCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000324727268 485590975 /nfs/dbraw/zinc/59/09/75/485590975.db2.gz GWUCQYCCDRZJEU-MSOLQXFVSA-N 2 1 331.460 1.790 20 0 EDADMP Cc1cc(CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC000669588582 485643326 /nfs/dbraw/zinc/64/33/26/485643326.db2.gz FAWFILRPROMCJG-ZBFHGGJFSA-N 2 1 347.463 1.248 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccn3C3CC[NH2+]CC3)CC[C@@H]21 ZINC000325195525 485663959 /nfs/dbraw/zinc/66/39/59/485663959.db2.gz DSIHGYJSBFFLAK-WBVHZDCISA-N 2 1 330.476 1.969 20 0 EDADMP FC(F)(F)CN1CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000674882478 485698028 /nfs/dbraw/zinc/69/80/28/485698028.db2.gz NVWRHGGLWOINKI-HUUCEWRRSA-N 2 1 335.414 1.856 20 0 EDADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000344113092 485943670 /nfs/dbraw/zinc/94/36/70/485943670.db2.gz GEVNMPBWZBEOLH-OLMNPRSZSA-N 2 1 348.491 1.691 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](OC)C1CCC1 ZINC000667812296 486089935 /nfs/dbraw/zinc/08/99/35/486089935.db2.gz IVGVTALTLZIKEX-SJORKVTESA-N 2 1 325.497 1.676 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000629174668 486113057 /nfs/dbraw/zinc/11/30/57/486113057.db2.gz GGPQYWVRVNAOCH-FUHWJXTLSA-N 2 1 349.450 1.221 20 0 EDADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000629174668 486113064 /nfs/dbraw/zinc/11/30/64/486113064.db2.gz GGPQYWVRVNAOCH-FUHWJXTLSA-N 2 1 349.450 1.221 20 0 EDADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000629174668 486113070 /nfs/dbraw/zinc/11/30/70/486113070.db2.gz GGPQYWVRVNAOCH-FUHWJXTLSA-N 2 1 349.450 1.221 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000669420087 486139101 /nfs/dbraw/zinc/13/91/01/486139101.db2.gz AAMSUHSHWWNIOK-QRVBRYPASA-N 2 1 342.487 1.759 20 0 EDADMP CC[C@H](C)[NH+]1CCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2C)CC1 ZINC000668930866 486355448 /nfs/dbraw/zinc/35/54/48/486355448.db2.gz BINHVAFKRLKPCZ-XHSDSOJGSA-N 2 1 348.495 1.271 20 0 EDADMP Cc1nc(C)c(Br)c(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000405269723 486642799 /nfs/dbraw/zinc/64/27/99/486642799.db2.gz NWQRUBAFPQFGOI-WDEREUQCSA-N 2 1 327.226 1.111 20 0 EDADMP Cc1nc(C)c(Br)c(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000405269723 486642803 /nfs/dbraw/zinc/64/28/03/486642803.db2.gz NWQRUBAFPQFGOI-WDEREUQCSA-N 2 1 327.226 1.111 20 0 EDADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000092217889 491202577 /nfs/dbraw/zinc/20/25/77/491202577.db2.gz NDHZSVLPYNGTPF-IBGZPJMESA-N 2 1 347.503 1.924 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000174607207 527737865 /nfs/dbraw/zinc/73/78/65/527737865.db2.gz XTPYOBPSXJMDAN-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000174607207 527737867 /nfs/dbraw/zinc/73/78/67/527737867.db2.gz XTPYOBPSXJMDAN-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000174607207 527737871 /nfs/dbraw/zinc/73/78/71/527737871.db2.gz XTPYOBPSXJMDAN-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000174607207 527737875 /nfs/dbraw/zinc/73/78/75/527737875.db2.gz XTPYOBPSXJMDAN-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000339607142 535066377 /nfs/dbraw/zinc/06/63/77/535066377.db2.gz IJKDCFMAGPSLOL-CVEARBPZSA-N 2 1 340.512 1.163 20 0 EDADMP CC[C@@H](C(=O)NCCNc1cc[nH+]cc1)[N@@H+](C)Cc1ccccc1 ZINC000353042458 535413796 /nfs/dbraw/zinc/41/37/96/535413796.db2.gz XJUBDVAGIPVJRI-SFHVURJKSA-N 2 1 326.444 1.942 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)N2CC[NH+](CC)CC2)C12CCCC2 ZINC000347695881 535416096 /nfs/dbraw/zinc/41/60/96/535416096.db2.gz ATYARGYVQWGFCH-BRWVUGGUSA-N 2 1 337.508 1.866 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCOC ZINC000347218431 535430692 /nfs/dbraw/zinc/43/06/92/535430692.db2.gz NYQIWEWPRZPJRT-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCOC ZINC000347218431 535430697 /nfs/dbraw/zinc/43/06/97/535430697.db2.gz NYQIWEWPRZPJRT-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCOC ZINC000347218431 535430702 /nfs/dbraw/zinc/43/07/02/535430702.db2.gz NYQIWEWPRZPJRT-GVDBMIGSSA-N 2 1 340.512 1.611 20 0 EDADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000349007576 535578018 /nfs/dbraw/zinc/57/80/18/535578018.db2.gz NUAJUJPETMCMBD-SQNIBIBYSA-N 2 1 338.540 1.639 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)C[C@@H]1CC ZINC000345746698 535596647 /nfs/dbraw/zinc/59/66/47/535596647.db2.gz MAGZXMXZLPVZAR-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C[C@@H]1CC ZINC000345746698 535596652 /nfs/dbraw/zinc/59/66/52/535596652.db2.gz MAGZXMXZLPVZAR-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@@H]1CC ZINC000345746698 535596654 /nfs/dbraw/zinc/59/66/54/535596654.db2.gz MAGZXMXZLPVZAR-YESZJQIVSA-N 2 1 340.512 1.611 20 0 EDADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000236937813 535651934 /nfs/dbraw/zinc/65/19/34/535651934.db2.gz FFULNWJVEWOULR-SJKOYZFVSA-N 2 1 333.480 1.894 20 0 EDADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)Nc1c(C)cccc1C ZINC000262113527 535703008 /nfs/dbraw/zinc/70/30/08/535703008.db2.gz MTFLNGUHLVJEHW-UHFFFAOYSA-N 2 1 346.475 1.386 20 0 EDADMP CC[C@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CCC[NH2+]1 ZINC000262384783 535883374 /nfs/dbraw/zinc/88/33/74/535883374.db2.gz LBFFEBILMTUBKJ-VQIMIIECSA-N 2 1 344.459 1.607 20 0 EDADMP CC[C@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CCC[NH2+]1 ZINC000262384783 535883379 /nfs/dbraw/zinc/88/33/79/535883379.db2.gz LBFFEBILMTUBKJ-VQIMIIECSA-N 2 1 344.459 1.607 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000345835430 536369933 /nfs/dbraw/zinc/36/99/33/536369933.db2.gz CAVYLUFJHIGPKW-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000345835430 536369936 /nfs/dbraw/zinc/36/99/36/536369936.db2.gz CAVYLUFJHIGPKW-LJQANCHMSA-N 2 1 345.487 1.832 20 0 EDADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C[NH2+]CC1CC1 ZINC000262631476 536372231 /nfs/dbraw/zinc/37/22/31/536372231.db2.gz FKLRBFXQBOZELM-UHFFFAOYSA-N 2 1 330.476 1.267 20 0 EDADMP C[N@H+](CCNC(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1)C1CCCC1 ZINC000090560940 536382039 /nfs/dbraw/zinc/38/20/39/536382039.db2.gz ASKDOAXAXKRLOR-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP C[N@@H+](CCNC(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1)C1CCCC1 ZINC000090560940 536382040 /nfs/dbraw/zinc/38/20/40/536382040.db2.gz ASKDOAXAXKRLOR-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)C1CCCC1 ZINC000090560940 536382042 /nfs/dbraw/zinc/38/20/42/536382042.db2.gz ASKDOAXAXKRLOR-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP C[NH+](CCNC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)C1CCCC1 ZINC000090560940 536382044 /nfs/dbraw/zinc/38/20/44/536382044.db2.gz ASKDOAXAXKRLOR-SJORKVTESA-N 2 1 338.496 1.413 20 0 EDADMP COc1cc(C)c(C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)cc1OC ZINC000262113572 536565429 /nfs/dbraw/zinc/56/54/29/536565429.db2.gz MTSLCPZTZJSJMY-UHFFFAOYSA-N 2 1 335.448 1.266 20 0 EDADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000743380094 579478316 /nfs/dbraw/zinc/47/83/16/579478316.db2.gz FBWTXCFYPUWRBS-HUUCEWRRSA-N 2 1 336.480 1.861 20 0 EDADMP C[NH+](C)CCOc1ccc(CCNC(=O)CC[NH+]2CCOCC2)cc1 ZINC000729407440 578570321 /nfs/dbraw/zinc/57/03/21/578570321.db2.gz QBWLMQNQBRLTBK-UHFFFAOYSA-N 2 1 349.475 1.008 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000745696613 579558285 /nfs/dbraw/zinc/55/82/85/579558285.db2.gz HGNSGMNEGAJWOY-DLBZAZTESA-N 2 1 339.528 1.044 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCn1nc(C)cc1C ZINC000750734677 579778863 /nfs/dbraw/zinc/77/88/63/579778863.db2.gz KRLIFQOXEPIMSE-SFHVURJKSA-N 2 1 349.523 1.765 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CSCCS1 ZINC000750996287 579790421 /nfs/dbraw/zinc/79/04/21/579790421.db2.gz GMOWZSJMSMEXKV-CABCVRRESA-N 2 1 345.578 1.710 20 0 EDADMP O=C(CC[NH+]1CCOCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000751367219 579803089 /nfs/dbraw/zinc/80/30/89/579803089.db2.gz FNPNKEPYHMQJJE-UHFFFAOYSA-N 2 1 345.487 1.737 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000754080927 579895856 /nfs/dbraw/zinc/89/58/56/579895856.db2.gz FYWUIFSPNFEJOV-AEFFLSMTSA-N 2 1 331.508 1.605 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000754080927 579895857 /nfs/dbraw/zinc/89/58/57/579895857.db2.gz FYWUIFSPNFEJOV-AEFFLSMTSA-N 2 1 331.508 1.605 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000764491853 580121725 /nfs/dbraw/zinc/12/17/25/580121725.db2.gz VNIVTKVRHBGPIS-CABCVRRESA-N 2 1 326.554 1.865 20 0 EDADMP C[NH+](C)C1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCC1 ZINC000768426595 580212513 /nfs/dbraw/zinc/21/25/13/580212513.db2.gz RGHHUBNABGTKOA-GOSISDBHSA-N 2 1 345.487 1.744 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000779649090 580492685 /nfs/dbraw/zinc/49/26/85/580492685.db2.gz HHPLYUFDCWVGHQ-QLFBSQMISA-N 2 1 340.468 1.384 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000779649090 580492686 /nfs/dbraw/zinc/49/26/86/580492686.db2.gz HHPLYUFDCWVGHQ-QLFBSQMISA-N 2 1 340.468 1.384 20 0 EDADMP COC(=O)c1coc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000779649769 580492821 /nfs/dbraw/zinc/49/28/21/580492821.db2.gz LDNPUYYZNXJAQK-ZDUSSCGKSA-N 2 1 325.365 1.174 20 0 EDADMP COC(=O)c1coc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000779649769 580492822 /nfs/dbraw/zinc/49/28/22/580492822.db2.gz LDNPUYYZNXJAQK-ZDUSSCGKSA-N 2 1 325.365 1.174 20 0 EDADMP C[NH+](C)C1(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CCC1 ZINC000780067928 580510911 /nfs/dbraw/zinc/51/09/11/580510911.db2.gz CJWGJBRAFOAYGZ-QGZVFWFLSA-N 2 1 330.476 1.846 20 0 EDADMP Cc1cc(C)cc(-n2ncc(C[NH2+]CC3(O)CC[NH+](C)CC3)n2)c1 ZINC000781416246 580548996 /nfs/dbraw/zinc/54/89/96/580548996.db2.gz SWSFLEBBSGWBGZ-UHFFFAOYSA-N 2 1 329.448 1.430 20 0 EDADMP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782184560 580568771 /nfs/dbraw/zinc/56/87/71/580568771.db2.gz TYCCTMQCKMXCLK-ZDUSSCGKSA-N 2 1 325.478 1.669 20 0 EDADMP CC[C@@H](C(=O)O[C@H](C)C(=O)N1CCN(CC)CC1)N(CC)CC ZINC000783782747 580606216 /nfs/dbraw/zinc/60/62/16/580606216.db2.gz JWTPFWDZJABNNA-CABCVRRESA-N 2 1 327.469 1.203 20 0 EDADMP CC(C)C1(C(C)C)NC(=O)N(C[N@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000799567312 581031370 /nfs/dbraw/zinc/03/13/70/581031370.db2.gz DBVASGPVDUQTIA-UHFFFAOYSA-N 2 1 338.496 1.820 20 0 EDADMP CC(C)C1(C(C)C)NC(=O)N(C[N@@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000799567312 581031371 /nfs/dbraw/zinc/03/13/71/581031371.db2.gz DBVASGPVDUQTIA-UHFFFAOYSA-N 2 1 338.496 1.820 20 0 EDADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1(C)C ZINC000799726977 581035436 /nfs/dbraw/zinc/03/54/36/581035436.db2.gz UEXRPERYAWXXAI-KFWWJZLASA-N 2 1 329.579 1.982 20 0 EDADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000891854527 590656215 /nfs/dbraw/zinc/65/62/15/590656215.db2.gz CIPQGRSUIGWSBY-IXDOHACOSA-N 2 1 348.516 1.641 20 0 EDADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000891854527 590656218 /nfs/dbraw/zinc/65/62/18/590656218.db2.gz CIPQGRSUIGWSBY-IXDOHACOSA-N 2 1 348.516 1.641 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)Cc2ccccc2C1 ZINC000893191990 590703661 /nfs/dbraw/zinc/70/36/61/590703661.db2.gz ROEGGJZMSWUXQH-ROUUACIJSA-N 2 1 342.487 1.431 20 0 EDADMP C[NH+](C)C1(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)Cc2ccccc2C1 ZINC000893191988 590703923 /nfs/dbraw/zinc/70/39/23/590703923.db2.gz ROEGGJZMSWUXQH-MSOLQXFVSA-N 2 1 342.487 1.431 20 0 EDADMP C[NH2+]CCCNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000891962959 590711165 /nfs/dbraw/zinc/71/11/65/590711165.db2.gz VFXSJMHMHWZNAQ-PKOBYXMFSA-N 2 1 330.476 1.759 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000891980436 590721863 /nfs/dbraw/zinc/72/18/63/590721863.db2.gz VIBYHTFXQDISSW-MSOLQXFVSA-N 2 1 330.476 1.868 20 0 EDADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCCc1cn2c(n1)CCCC2 ZINC000891990528 590731126 /nfs/dbraw/zinc/73/11/26/590731126.db2.gz VYIVJOJLRHDRPT-CVEARBPZSA-N 2 1 331.464 1.640 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000892166516 590838182 /nfs/dbraw/zinc/83/81/82/590838182.db2.gz KFGICMWQVMNORJ-FUHWJXTLSA-N 2 1 346.475 1.453 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000892183840 590851664 /nfs/dbraw/zinc/85/16/64/590851664.db2.gz LNCSFMSAWXGBEL-DOTOQJQBSA-N 2 1 332.448 1.063 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000892258335 590891338 /nfs/dbraw/zinc/89/13/38/590891338.db2.gz UNJVHFJMZRNPSM-HZPDHXFCSA-N 2 1 340.431 1.421 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000892258335 590891340 /nfs/dbraw/zinc/89/13/40/590891340.db2.gz UNJVHFJMZRNPSM-HZPDHXFCSA-N 2 1 340.431 1.421 20 0 EDADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892384403 591004342 /nfs/dbraw/zinc/00/43/42/591004342.db2.gz AMOLOIKMRRTQOH-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000893606046 591004752 /nfs/dbraw/zinc/00/47/52/591004752.db2.gz LWMVCJDHXZKLAE-ZWKOTPCHSA-N 2 1 341.496 1.680 20 0 EDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000893606046 591004753 /nfs/dbraw/zinc/00/47/53/591004753.db2.gz LWMVCJDHXZKLAE-ZWKOTPCHSA-N 2 1 341.496 1.680 20 0 EDADMP CC[C@@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000891346520 591052670 /nfs/dbraw/zinc/05/26/70/591052670.db2.gz CGDSFZSFKSJPPP-BZSNNMDCSA-N 2 1 328.460 1.579 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)C2)cc1 ZINC000892529969 591060720 /nfs/dbraw/zinc/06/07/20/591060720.db2.gz GSXMXFUMJLPPDU-FHWLQOOXSA-N 2 1 342.487 1.963 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NC(C)(C)C[NH3+])C1 ZINC000892536082 591063068 /nfs/dbraw/zinc/06/30/68/591063068.db2.gz MOHSVPVDLODHGJ-INIZCTEOSA-N 2 1 334.464 1.232 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NC(C)(C)C[NH3+])C1 ZINC000892536082 591063072 /nfs/dbraw/zinc/06/30/72/591063072.db2.gz MOHSVPVDLODHGJ-INIZCTEOSA-N 2 1 334.464 1.232 20 0 EDADMP C[N@H+]1CCN(CCC[NH2+]C2CCS(=O)CC2)[C@@H](c2ccccc2)C1 ZINC000892553792 591069768 /nfs/dbraw/zinc/06/97/68/591069768.db2.gz RQXFMVWKQHNEDF-IQJRZOLZSA-N 2 1 349.544 1.866 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)N3C[C@@H]([NH3+])C[C@H]3C)CC2)oc1C ZINC000891543888 591117943 /nfs/dbraw/zinc/11/79/43/591117943.db2.gz OCUNIIAYHNYWPH-WBMJQRKESA-N 2 1 349.479 1.635 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)C[NH+]1CCOCC1 ZINC000891582478 591134731 /nfs/dbraw/zinc/13/47/31/591134731.db2.gz FNXWGVWCZMJWLI-LSDHHAIUSA-N 2 1 326.485 1.032 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000891598414 591142980 /nfs/dbraw/zinc/14/29/80/591142980.db2.gz SWGFFQFKPZNRLU-IKGGRYGDSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC000891598414 591142982 /nfs/dbraw/zinc/14/29/82/591142982.db2.gz SWGFFQFKPZNRLU-IKGGRYGDSA-N 2 1 338.496 1.221 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC000891598414 591142984 /nfs/dbraw/zinc/14/29/84/591142984.db2.gz SWGFFQFKPZNRLU-IKGGRYGDSA-N 2 1 338.496 1.221 20 0 EDADMP C[N@@H+](CCCNC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)Cc1ccccc1 ZINC000891625543 591155847 /nfs/dbraw/zinc/15/58/47/591155847.db2.gz CLTFQRRBXPIQGB-HDICACEKSA-N 2 1 330.476 1.712 20 0 EDADMP C[NH+](CCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)Cc1ccccc1 ZINC000891625543 591155849 /nfs/dbraw/zinc/15/58/49/591155849.db2.gz CLTFQRRBXPIQGB-HDICACEKSA-N 2 1 330.476 1.712 20 0 EDADMP C[NH+](CCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)Cc1ccccc1 ZINC000891625543 591155853 /nfs/dbraw/zinc/15/58/53/591155853.db2.gz CLTFQRRBXPIQGB-HDICACEKSA-N 2 1 330.476 1.712 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891642853 591164194 /nfs/dbraw/zinc/16/41/94/591164194.db2.gz AALSZADIGDBCBT-LEUOFYLZSA-N 2 1 330.476 1.934 20 0 EDADMP C[C@@H]1CN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CC[N@H+](C2CC2)C1 ZINC000892878729 591211752 /nfs/dbraw/zinc/21/17/52/591211752.db2.gz DCHQDAOJCGOQDO-LBPRGKRZSA-N 2 1 349.504 1.496 20 0 EDADMP C[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)nc2ccccc21 ZINC000895768300 591268858 /nfs/dbraw/zinc/26/88/58/591268858.db2.gz BPQUVEYWQCNECU-UONOGXRCSA-N 2 1 326.448 1.862 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1nc2ccccc2c(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895768300 591268859 /nfs/dbraw/zinc/26/88/59/591268859.db2.gz BPQUVEYWQCNECU-UONOGXRCSA-N 2 1 326.448 1.862 20 0 EDADMP C[NH+]1CC[C@@H]1CNc1nc2ccccc2c(NC[C@@H]2CC[N@H+]2C)n1 ZINC000895768300 591268860 /nfs/dbraw/zinc/26/88/60/591268860.db2.gz BPQUVEYWQCNECU-UONOGXRCSA-N 2 1 326.448 1.862 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000895851544 591287706 /nfs/dbraw/zinc/28/77/06/591287706.db2.gz ZFROEKIIBZRGBE-ATZDWAIDSA-N 2 1 343.471 1.659 20 0 EDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894465818 591319999 /nfs/dbraw/zinc/31/99/99/591319999.db2.gz QLUFOCTTYSBFRZ-JKSUJKDBSA-N 2 1 329.460 1.189 20 0 EDADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000896023759 591323761 /nfs/dbraw/zinc/32/37/61/591323761.db2.gz LORTZVAVSFUEEI-BJLQDIEVSA-N 2 1 348.535 1.489 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CCCO1 ZINC000894567628 591347534 /nfs/dbraw/zinc/34/75/34/591347534.db2.gz WWTDWBXDRZDYHY-HNNXBMFYSA-N 2 1 341.496 1.944 20 0 EDADMP CC[NH+]1CCC(n2nccc2NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000896114109 591348689 /nfs/dbraw/zinc/34/86/89/591348689.db2.gz WPECYYWDUYGMEO-SFHVURJKSA-N 2 1 331.464 1.964 20 0 EDADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000909437825 591569461 /nfs/dbraw/zinc/56/94/61/591569461.db2.gz FQGHNMCQBQCNTQ-ABHNRTSZSA-N 2 1 337.508 1.819 20 0 EDADMP Cc1nc2ccccn2c1CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000898963018 591617892 /nfs/dbraw/zinc/61/78/92/591617892.db2.gz VRVCMCWRFFTYQN-ZIAGYGMSSA-N 2 1 345.447 1.239 20 0 EDADMP Cc1nc2ccccn2c1CNC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C ZINC000898963018 591617894 /nfs/dbraw/zinc/61/78/94/591617894.db2.gz VRVCMCWRFFTYQN-ZIAGYGMSSA-N 2 1 345.447 1.239 20 0 EDADMP CN(C(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000896993721 591703597 /nfs/dbraw/zinc/70/35/97/591703597.db2.gz ROCJKLFQUAMHJP-RTBURBONSA-N 2 1 343.471 1.440 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@@H]1c1ccccc1 ZINC000897240678 591782714 /nfs/dbraw/zinc/78/27/14/591782714.db2.gz NPZWDUBDZLECCY-BZSNNMDCSA-N 2 1 329.444 1.269 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)C1CCCCC1 ZINC000900198209 591938500 /nfs/dbraw/zinc/93/85/00/591938500.db2.gz ULFLXQVSMRRZRC-WMZOPIPTSA-N 2 1 325.497 1.460 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900245011 591953080 /nfs/dbraw/zinc/95/30/80/591953080.db2.gz GBFANGVTIHFDPS-AZUAARDMSA-N 2 1 345.487 1.531 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000900285140 591971433 /nfs/dbraw/zinc/97/14/33/591971433.db2.gz IPRZMTRIMGMMKI-WMZOPIPTSA-N 2 1 337.439 1.391 20 0 EDADMP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902368749 591981446 /nfs/dbraw/zinc/98/14/46/591981446.db2.gz HRZFUPJHJSCVIE-MSOLQXFVSA-N 2 1 347.503 1.728 20 0 EDADMP C[C@H]([NH2+]C[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)C1([NH3+])CC1 ZINC000902382508 591988512 /nfs/dbraw/zinc/98/85/12/591988512.db2.gz HVQNSIOJKXZYHL-GOEBONIOSA-N 2 1 349.450 1.313 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)C1([NH3+])CC1 ZINC000902384779 591989347 /nfs/dbraw/zinc/98/93/47/591989347.db2.gz OVHXMRXAODUCDR-KZULUSFZSA-N 2 1 342.443 1.881 20 0 EDADMP O=C1O[C@@H](CNc2cc[nH+]cc2Br)CC12CC[NH2+]CC2 ZINC000900362474 591995320 /nfs/dbraw/zinc/99/53/20/591995320.db2.gz MXYMTSCHWZNBHM-SNVBAGLBSA-N 2 1 340.221 1.363 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(NCCn2ccnc2)cc1 ZINC000900371867 591999958 /nfs/dbraw/zinc/99/99/58/591999958.db2.gz JZLRMMHODWFQGZ-KRWDZBQOSA-N 2 1 339.443 1.962 20 0 EDADMP CC[NH+]1CCC(N(C)C(=O)CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000900519144 592044074 /nfs/dbraw/zinc/04/40/74/592044074.db2.gz UICZAWPLOLMKNV-UHFFFAOYSA-N 2 1 338.540 1.735 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000900573630 592056028 /nfs/dbraw/zinc/05/60/28/592056028.db2.gz WLBFEEHEEJRAIP-UHFFFAOYSA-N 2 1 327.432 1.537 20 0 EDADMP C[NH+](C)CCn1nccc1C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000900573630 592056031 /nfs/dbraw/zinc/05/60/31/592056031.db2.gz WLBFEEHEEJRAIP-UHFFFAOYSA-N 2 1 327.432 1.537 20 0 EDADMP [NH2+]=C(NOCCc1noc2ccccc12)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902806164 592062851 /nfs/dbraw/zinc/06/28/51/592062851.db2.gz MVGFYXLXTSHFIZ-BLLLJJGKSA-N 2 1 330.388 1.732 20 0 EDADMP C[C@H]1[C@@H](NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000902929538 592086017 /nfs/dbraw/zinc/08/60/17/592086017.db2.gz VKMAGODQCMVBLA-GJZGRUSLSA-N 2 1 331.464 1.653 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000900720945 592104148 /nfs/dbraw/zinc/10/41/48/592104148.db2.gz HUYSWFSGXOJZHX-AZUAARDMSA-N 2 1 345.487 1.614 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000900720945 592104150 /nfs/dbraw/zinc/10/41/50/592104150.db2.gz HUYSWFSGXOJZHX-AZUAARDMSA-N 2 1 345.487 1.614 20 0 EDADMP C[NH+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000900720945 592104151 /nfs/dbraw/zinc/10/41/51/592104151.db2.gz HUYSWFSGXOJZHX-AZUAARDMSA-N 2 1 345.487 1.614 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000900730240 592111038 /nfs/dbraw/zinc/11/10/38/592111038.db2.gz DAMSJKBUUTWSKV-GOSISDBHSA-N 2 1 338.540 1.783 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@@H]1CCCc3nn(C)cc31)C2 ZINC000903117113 592123578 /nfs/dbraw/zinc/12/35/78/592123578.db2.gz UNQRDVBYOVCOLD-RXABAKJHSA-N 2 1 332.492 1.867 20 0 EDADMP CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903426024 592167587 /nfs/dbraw/zinc/16/75/87/592167587.db2.gz AUCHETPLQOJPMT-KGLIPLIRSA-N 2 1 333.432 1.846 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)c1ccc(Cl)cc1 ZINC000900920765 592172254 /nfs/dbraw/zinc/17/22/54/592172254.db2.gz CHFFAVBKEYXPIV-UXLLHSPISA-N 2 1 339.867 1.514 20 0 EDADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCOCCN1C(=O)c3ccccc3C1=O)C2 ZINC000903464664 592174282 /nfs/dbraw/zinc/17/42/82/592174282.db2.gz VKCYOEQMDYFXGA-LIRRHRJNSA-N 2 1 343.427 1.112 20 0 EDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCOCCN1C(=O)c3ccccc3C1=O)C2 ZINC000903464664 592174286 /nfs/dbraw/zinc/17/42/86/592174286.db2.gz VKCYOEQMDYFXGA-LIRRHRJNSA-N 2 1 343.427 1.112 20 0 EDADMP COc1ccccc1OCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903505629 592181750 /nfs/dbraw/zinc/18/17/50/592181750.db2.gz FWWIMIWLVZUYNQ-HDICACEKSA-N 2 1 345.487 1.975 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H](C(=O)N(C)C)c1ccccc1)C2 ZINC000903493670 592186152 /nfs/dbraw/zinc/18/61/52/592186152.db2.gz ZKMLCFZACYOUBZ-MKSNKDDYSA-N 2 1 345.443 1.028 20 0 EDADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C[C@H]1CC[NH3+] ZINC000903496342 592187871 /nfs/dbraw/zinc/18/78/71/592187871.db2.gz KYYVVQIWZPPZNH-TZMCWYRMSA-N 2 1 341.402 1.821 20 0 EDADMP CCC[C@H](C)CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562391 592210714 /nfs/dbraw/zinc/21/07/14/592210714.db2.gz LGYKQTYAYOGKAG-BHYGNILZSA-N 2 1 343.537 1.653 20 0 EDADMP CCC[C@H](C)CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562391 592210716 /nfs/dbraw/zinc/21/07/16/592210716.db2.gz LGYKQTYAYOGKAG-BHYGNILZSA-N 2 1 343.537 1.653 20 0 EDADMP COc1cc2c(cc1OC)C1(CCC1)[N@H+](C[C@@H]1CNCCO1)CC2 ZINC000903564204 592211474 /nfs/dbraw/zinc/21/14/74/592211474.db2.gz QGZYRKPGCCNYOG-HNNXBMFYSA-N 2 1 332.444 1.930 20 0 EDADMP COc1cc2c(cc1OC)C1(CCC1)[N@@H+](C[C@@H]1CNCCO1)CC2 ZINC000903564204 592211475 /nfs/dbraw/zinc/21/14/75/592211475.db2.gz QGZYRKPGCCNYOG-HNNXBMFYSA-N 2 1 332.444 1.930 20 0 EDADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCCO2 ZINC000904350367 592236793 /nfs/dbraw/zinc/23/67/93/592236793.db2.gz JSGWTQSOINGMHD-KRWDZBQOSA-N 2 1 331.460 1.831 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000901103929 592245711 /nfs/dbraw/zinc/24/57/11/592245711.db2.gz ITRGGQSDBLNVFE-ZWKOTPCHSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000901103929 592245713 /nfs/dbraw/zinc/24/57/13/592245713.db2.gz ITRGGQSDBLNVFE-ZWKOTPCHSA-N 2 1 336.524 1.345 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000901103929 592245714 /nfs/dbraw/zinc/24/57/14/592245714.db2.gz ITRGGQSDBLNVFE-ZWKOTPCHSA-N 2 1 336.524 1.345 20 0 EDADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C[C@@H]1COc2ccccc2O1 ZINC000903718680 592280627 /nfs/dbraw/zinc/28/06/27/592280627.db2.gz QOZRGYSEINEGOS-JKSUJKDBSA-N 2 1 332.444 1.917 20 0 EDADMP [NH3+]Cc1ccccc1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000904627447 592298005 /nfs/dbraw/zinc/29/80/05/592298005.db2.gz IDLUKKRXLIHHIG-UHFFFAOYSA-N 2 1 348.447 1.148 20 0 EDADMP [NH3+]Cc1ccc2nc(-c3nc([C@@H]4C[N@H+]5CCC[C@H]5CO4)no3)cn2c1 ZINC000904636213 592299647 /nfs/dbraw/zinc/29/96/47/592299647.db2.gz BAYCNGHRODSXRO-JSGCOSHPSA-N 2 1 340.387 1.379 20 0 EDADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000903740599 592302911 /nfs/dbraw/zinc/30/29/11/592302911.db2.gz XSQRRRBVWLEQBQ-DAYGRLMNSA-N 2 1 331.464 1.172 20 0 EDADMP C[C@@H]1C[NH2+]C[C@H]1Cc1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000904660477 592307959 /nfs/dbraw/zinc/30/79/59/592307959.db2.gz VPRMFRFWDBKLPS-UKRRQHHQSA-N 2 1 342.447 1.281 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903767053 592310129 /nfs/dbraw/zinc/31/01/29/592310129.db2.gz SODKXNKEMUPLAV-SJORKVTESA-N 3 1 325.497 1.188 20 0 EDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903767053 592310134 /nfs/dbraw/zinc/31/01/34/592310134.db2.gz SODKXNKEMUPLAV-SJORKVTESA-N 3 1 325.497 1.188 20 0 EDADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000903809875 592330852 /nfs/dbraw/zinc/33/08/52/592330852.db2.gz OKTOQDLYQBYTJK-CQSZACIVSA-N 2 1 342.867 1.828 20 0 EDADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000903809875 592330857 /nfs/dbraw/zinc/33/08/57/592330857.db2.gz OKTOQDLYQBYTJK-CQSZACIVSA-N 2 1 342.867 1.828 20 0 EDADMP CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903889382 592351753 /nfs/dbraw/zinc/35/17/53/592351753.db2.gz RKBLRRFQWSFWTD-HZPDHXFCSA-N 2 1 348.495 1.331 20 0 EDADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903889382 592351758 /nfs/dbraw/zinc/35/17/58/592351758.db2.gz RKBLRRFQWSFWTD-HZPDHXFCSA-N 2 1 348.495 1.331 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCN(CC(F)(F)F)CC2)cnn1C ZINC000903879873 592360479 /nfs/dbraw/zinc/36/04/79/592360479.db2.gz KZUHQNIPUHNGSG-CQSZACIVSA-N 2 1 347.429 1.416 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCN(CC(F)(F)F)CC2)cnn1C ZINC000903879873 592360482 /nfs/dbraw/zinc/36/04/82/592360482.db2.gz KZUHQNIPUHNGSG-CQSZACIVSA-N 2 1 347.429 1.416 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cnn1C ZINC000903886564 592364464 /nfs/dbraw/zinc/36/44/64/592364464.db2.gz QVBABAGTHZSSBR-GOSISDBHSA-N 3 1 335.540 1.898 20 0 EDADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899659 592370935 /nfs/dbraw/zinc/37/09/35/592370935.db2.gz VWUNZHJFMADVPN-QRQLOZEOSA-N 2 1 349.523 1.567 20 0 EDADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899659 592370938 /nfs/dbraw/zinc/37/09/38/592370938.db2.gz VWUNZHJFMADVPN-QRQLOZEOSA-N 2 1 349.523 1.567 20 0 EDADMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903912270 592374833 /nfs/dbraw/zinc/37/48/33/592374833.db2.gz CJMGPNFTAQGAFH-CABCVRRESA-N 2 1 329.452 1.316 20 0 EDADMP CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903912245 592374865 /nfs/dbraw/zinc/37/48/65/592374865.db2.gz CBOAFQUEVZOMEF-IRXDYDNUSA-N 2 1 346.479 1.178 20 0 EDADMP CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903912245 592374867 /nfs/dbraw/zinc/37/48/67/592374867.db2.gz CBOAFQUEVZOMEF-IRXDYDNUSA-N 2 1 346.479 1.178 20 0 EDADMP C[NH+](C)[C@H](CNCc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903926334 592381295 /nfs/dbraw/zinc/38/12/95/592381295.db2.gz KVILZDBRNPTAHB-SJLPKXTDSA-N 2 1 328.464 1.595 20 0 EDADMP [NH3+]C1CCN(Cc2cn([C@@H]3CC[N@@H+](Cc4ccccc4)C3)nn2)CC1 ZINC000905057877 592394512 /nfs/dbraw/zinc/39/45/12/592394512.db2.gz ZSDHRHVHBXVLGT-LJQANCHMSA-N 2 1 340.475 1.648 20 0 EDADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905073456 592403415 /nfs/dbraw/zinc/40/34/15/592403415.db2.gz WRUGZTZWCBLINL-MOPGFXCFSA-N 2 1 348.487 1.391 20 0 EDADMP CSC1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC[NH+](C)CC1 ZINC000908286682 592425838 /nfs/dbraw/zinc/42/58/38/592425838.db2.gz YHSQDWUMEOOMHD-LSDHHAIUSA-N 2 1 325.522 1.947 20 0 EDADMP C[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CC[N@H+](C2CCC2)C1 ZINC000908359214 592463934 /nfs/dbraw/zinc/46/39/34/592463934.db2.gz SFMVTFOQVHLYMC-HNNXBMFYSA-N 2 1 335.492 1.430 20 0 EDADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000904302441 592472235 /nfs/dbraw/zinc/47/22/35/592472235.db2.gz WILVLBOESBRMTH-ROUUACIJSA-N 3 1 330.476 1.226 20 0 EDADMP C[NH+](C)[C@@H](CNS(=O)(=O)CC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000905333394 592508905 /nfs/dbraw/zinc/50/89/05/592508905.db2.gz CJAGYVQGDVGHNJ-INIZCTEOSA-N 2 1 343.468 1.347 20 0 EDADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000907152022 592538548 /nfs/dbraw/zinc/53/85/48/592538548.db2.gz XLORPXURWHGKJM-MSOLQXFVSA-N 2 1 330.476 1.041 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000907152022 592538549 /nfs/dbraw/zinc/53/85/49/592538549.db2.gz XLORPXURWHGKJM-MSOLQXFVSA-N 2 1 330.476 1.041 20 0 EDADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000907152022 592538551 /nfs/dbraw/zinc/53/85/51/592538551.db2.gz XLORPXURWHGKJM-MSOLQXFVSA-N 2 1 330.476 1.041 20 0 EDADMP CO[C@H]1CCN(Cc2nc(C(=O)N3CC[N@@H+](C)[C@@H](C)[C@@H]3C)co2)C1 ZINC000907204707 592545553 /nfs/dbraw/zinc/54/55/53/592545553.db2.gz GHUVHFLKIFKWKF-IHRRRGAJSA-N 2 1 336.436 1.060 20 0 EDADMP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000908605898 592551383 /nfs/dbraw/zinc/55/13/83/592551383.db2.gz BNDMRYGJRGKPJC-GOSISDBHSA-N 2 1 343.487 1.550 20 0 EDADMP CC[C@](O)(C[NH2+][C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O)C(F)(F)F ZINC000905495923 592553619 /nfs/dbraw/zinc/55/36/19/592553619.db2.gz OAUPTNXLCTUMHS-RYPNDVFKSA-N 2 1 338.414 1.759 20 0 EDADMP Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)C1)CCCC2 ZINC000907553847 592704822 /nfs/dbraw/zinc/70/48/22/592704822.db2.gz IYJBHAITWXWVLK-CLCXKQKWSA-N 2 1 346.475 1.299 20 0 EDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907569916 592714533 /nfs/dbraw/zinc/71/45/33/592714533.db2.gz GKTRXXWADVTTSH-KRWDZBQOSA-N 2 1 328.460 1.458 20 0 EDADMP Cc1[nH+]ccn1[C@H]1CCCN(Cc2cn(-c3ccn(C)n3)nn2)C1 ZINC000906262408 592776838 /nfs/dbraw/zinc/77/68/38/592776838.db2.gz DNNCPOMSNHBXOT-HNNXBMFYSA-N 2 1 326.408 1.343 20 0 EDADMP CC(C)[N@H+]1CC[C@H](CNC(=O)c2cccn2CCN2CCOCC2)C1 ZINC000906435632 592817795 /nfs/dbraw/zinc/81/77/95/592817795.db2.gz UEMYKKLZEQQNEC-QGZVFWFLSA-N 2 1 348.491 1.280 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CCC([NH+]2CCCOCC2)CC1 ZINC000910366813 592845295 /nfs/dbraw/zinc/84/52/95/592845295.db2.gz UHOCCTHORDDLII-ZWKOTPCHSA-N 2 1 335.492 1.717 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[NH+]12)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000910366813 592845298 /nfs/dbraw/zinc/84/52/98/592845298.db2.gz UHOCCTHORDDLII-ZWKOTPCHSA-N 2 1 335.492 1.717 20 0 EDADMP O=C([C@H]1CC[C@@H]2CCCC[NH+]12)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000910366813 592845301 /nfs/dbraw/zinc/84/53/01/592845301.db2.gz UHOCCTHORDDLII-ZWKOTPCHSA-N 2 1 335.492 1.717 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccn1CCN1CCOCC1 ZINC000906644418 592865507 /nfs/dbraw/zinc/86/55/07/592865507.db2.gz NOTANYMNJUHKJG-QGZVFWFLSA-N 2 1 348.491 1.425 20 0 EDADMP CC(C)[N@@H+](CCO)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000910873040 592899059 /nfs/dbraw/zinc/89/90/59/592899059.db2.gz GKHBDQQGASPGSC-UHFFFAOYSA-N 2 1 325.497 1.412 20 0 EDADMP CC(C)[NH+](CCO)CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000910873040 592899060 /nfs/dbraw/zinc/89/90/60/592899060.db2.gz GKHBDQQGASPGSC-UHFFFAOYSA-N 2 1 325.497 1.412 20 0 EDADMP CC(C)[NH+](CCO)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000910873040 592899061 /nfs/dbraw/zinc/89/90/61/592899061.db2.gz GKHBDQQGASPGSC-UHFFFAOYSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)[C@@H](C)C[N@H+]1CCO ZINC000910931673 592901966 /nfs/dbraw/zinc/90/19/66/592901966.db2.gz QJFYPWLEYVKKPD-CABCVRRESA-N 2 1 344.459 1.818 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000911191095 592946251 /nfs/dbraw/zinc/94/62/51/592946251.db2.gz YQTAVCOETIRMTN-UHFFFAOYSA-N 2 1 338.540 1.782 20 0 EDADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NCC[C@@H](C)[NH3+] ZINC000911740708 592994220 /nfs/dbraw/zinc/99/42/20/592994220.db2.gz OPOHHTNNNUCXMI-PRHODGIISA-N 2 1 330.226 1.311 20 0 EDADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736568883 593017946 /nfs/dbraw/zinc/01/79/46/593017946.db2.gz DJLPENJCTDJTLU-CYBMUJFWSA-N 2 1 340.435 1.336 20 0 EDADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736568883 593017948 /nfs/dbraw/zinc/01/79/48/593017948.db2.gz DJLPENJCTDJTLU-CYBMUJFWSA-N 2 1 340.435 1.336 20 0 EDADMP CC[C@@H](C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C ZINC000911892343 593032171 /nfs/dbraw/zinc/03/21/71/593032171.db2.gz KBMASEZRIVDDJA-OTWHNJEPSA-N 2 1 345.487 1.829 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000911921157 593033441 /nfs/dbraw/zinc/03/34/41/593033441.db2.gz QEZHCDONMNZVPX-INIZCTEOSA-N 2 1 339.480 1.206 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000911921157 593033442 /nfs/dbraw/zinc/03/34/42/593033442.db2.gz QEZHCDONMNZVPX-INIZCTEOSA-N 2 1 339.480 1.206 20 0 EDADMP C[NH+]1CCC[C@](O)(CC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000911913447 593036243 /nfs/dbraw/zinc/03/62/43/593036243.db2.gz CLLIBIXZGBSAGY-UXHICEINSA-N 2 1 345.487 1.614 20 0 EDADMP C[N@@H+](CCC(=O)N(CCO)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000911941874 593036712 /nfs/dbraw/zinc/03/67/12/593036712.db2.gz WNYBAFYCPUNIJF-UHFFFAOYSA-N 2 1 325.497 1.556 20 0 EDADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806138154 593194701 /nfs/dbraw/zinc/19/47/01/593194701.db2.gz RVIWMOGUSOVHLO-JSGCOSHPSA-N 2 1 336.867 1.899 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806138154 593194702 /nfs/dbraw/zinc/19/47/02/593194702.db2.gz RVIWMOGUSOVHLO-JSGCOSHPSA-N 2 1 336.867 1.899 20 0 EDADMP CC1(C)C(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)[C@@H]1C1CC1 ZINC000811733760 593477390 /nfs/dbraw/zinc/47/73/90/593477390.db2.gz BTLNLKAQBPKRTR-QGZVFWFLSA-N 2 1 335.492 1.635 20 0 EDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNCc1cnn(C)c1Cl ZINC000815122365 593616641 /nfs/dbraw/zinc/61/66/41/593616641.db2.gz KJAXRWSSAFJBJF-ZDUSSCGKSA-N 2 1 327.860 1.106 20 0 EDADMP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cnn(C)c1Cl ZINC000815122365 593616642 /nfs/dbraw/zinc/61/66/42/593616642.db2.gz KJAXRWSSAFJBJF-ZDUSSCGKSA-N 2 1 327.860 1.106 20 0 EDADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)CC[NH2+]CC2 ZINC000818340226 593693758 /nfs/dbraw/zinc/69/37/58/593693758.db2.gz JZXDBMDFXQPHAN-GFCCVEGCSA-N 2 1 343.431 1.671 20 0 EDADMP CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000820075519 593788802 /nfs/dbraw/zinc/78/88/02/593788802.db2.gz YVJQYMJQIPMNMQ-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000820075519 593788803 /nfs/dbraw/zinc/78/88/03/593788803.db2.gz YVJQYMJQIPMNMQ-JKSUJKDBSA-N 2 1 328.501 1.469 20 0 EDADMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000821052691 593954684 /nfs/dbraw/zinc/95/46/84/593954684.db2.gz PCMIRXJXMNONOO-MRXNPFEDSA-N 2 1 349.475 1.842 20 0 EDADMP NC(=O)[C@@H]1CCCN1C1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822774102 594098440 /nfs/dbraw/zinc/09/84/40/594098440.db2.gz AERVVBCFTATLBJ-YPMHNXCESA-N 2 1 334.291 1.984 20 0 EDADMP C[NH+](C)C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000825147130 594136173 /nfs/dbraw/zinc/13/61/73/594136173.db2.gz KBBPBGYUKXYLNQ-HZPDHXFCSA-N 3 1 326.529 1.162 20 0 EDADMP C/C(=C\C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cnccn1 ZINC000825394195 594177971 /nfs/dbraw/zinc/17/79/71/594177971.db2.gz USKJQDBXSXDTFQ-SDNWHVSQSA-N 2 1 338.415 1.665 20 0 EDADMP CN(C)c1ccc(N2CCC(NC(=O)C3(N(C)C)CC3)CC2)cc1 ZINC000828768452 594499253 /nfs/dbraw/zinc/49/92/53/594499253.db2.gz PUOXQSYWJSMODS-UHFFFAOYSA-N 2 1 330.476 1.932 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)CC[C@H]21 ZINC000827256764 594656751 /nfs/dbraw/zinc/65/67/51/594656751.db2.gz XRAUMOXUOMMOLE-BRWVUGGUSA-N 2 1 337.533 1.757 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)CCO3)CC[C@@H]21 ZINC000827311579 594660257 /nfs/dbraw/zinc/66/02/57/594660257.db2.gz PZERCNXHRKLIOC-QYZOEREBSA-N 2 1 343.471 1.440 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)CCO3)CC[C@@H]21 ZINC000827311579 594660258 /nfs/dbraw/zinc/66/02/58/594660258.db2.gz PZERCNXHRKLIOC-QYZOEREBSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CC[C@@H]21 ZINC000827311579 594660259 /nfs/dbraw/zinc/66/02/59/594660259.db2.gz PZERCNXHRKLIOC-QYZOEREBSA-N 2 1 343.471 1.440 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CC[C@@H]21 ZINC000827311579 594660260 /nfs/dbraw/zinc/66/02/60/594660260.db2.gz PZERCNXHRKLIOC-QYZOEREBSA-N 2 1 343.471 1.440 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)CC[C@@H]21 ZINC000827340357 594662665 /nfs/dbraw/zinc/66/26/65/594662665.db2.gz ZJCPETOCEFRRJD-QYZOEREBSA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)CC[C@@H]21 ZINC000827340357 594662666 /nfs/dbraw/zinc/66/26/66/594662666.db2.gz ZJCPETOCEFRRJD-QYZOEREBSA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)CC[C@@H]21 ZINC000827340357 594662667 /nfs/dbraw/zinc/66/26/67/594662667.db2.gz ZJCPETOCEFRRJD-QYZOEREBSA-N 2 1 342.487 1.846 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC[N@H+]1C ZINC000827491056 594677105 /nfs/dbraw/zinc/67/71/05/594677105.db2.gz KUMXUCSLPSVGFY-KZNAEPCWSA-N 2 1 347.507 1.254 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC[NH+]1C ZINC000827491056 594677106 /nfs/dbraw/zinc/67/71/06/594677106.db2.gz KUMXUCSLPSVGFY-KZNAEPCWSA-N 2 1 347.507 1.254 20 0 EDADMP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC[NH+]1C ZINC000827491056 594677107 /nfs/dbraw/zinc/67/71/07/594677107.db2.gz KUMXUCSLPSVGFY-KZNAEPCWSA-N 2 1 347.507 1.254 20 0 EDADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000831522427 594680549 /nfs/dbraw/zinc/68/05/49/594680549.db2.gz MFTQCMHOSVBMMY-SFHVURJKSA-N 2 1 344.459 1.417 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@]3(F)CC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000831527750 594680894 /nfs/dbraw/zinc/68/08/94/594680894.db2.gz HVSLFJFSPWEPHK-YQVWRLOYSA-N 2 1 347.434 1.791 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@]3(F)CC[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000831527750 594680895 /nfs/dbraw/zinc/68/08/95/594680895.db2.gz HVSLFJFSPWEPHK-YQVWRLOYSA-N 2 1 347.434 1.791 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000833574380 594877668 /nfs/dbraw/zinc/87/76/68/594877668.db2.gz CUCDQMKLQPNXAZ-PBHICJAKSA-N 2 1 329.460 1.162 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000833574380 594877671 /nfs/dbraw/zinc/87/76/71/594877671.db2.gz CUCDQMKLQPNXAZ-PBHICJAKSA-N 2 1 329.460 1.162 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000833574380 594877673 /nfs/dbraw/zinc/87/76/73/594877673.db2.gz CUCDQMKLQPNXAZ-PBHICJAKSA-N 2 1 329.460 1.162 20 0 EDADMP [NH3+]CCOc1ccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000841323909 594884842 /nfs/dbraw/zinc/88/48/42/594884842.db2.gz DKDFEDQEIUSCGG-ZBFHGGJFSA-N 2 1 334.420 1.009 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCCC[C@@H]2C[NH3+])cn1 ZINC000841721510 594943517 /nfs/dbraw/zinc/94/35/17/594943517.db2.gz HICYGDQZMANFRY-OAHLLOKOSA-N 2 1 328.420 1.599 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000841725632 594943986 /nfs/dbraw/zinc/94/39/86/594943986.db2.gz CRUPQHNPZZLXBP-INIZCTEOSA-N 2 1 340.431 1.612 20 0 EDADMP COCC[NH2+]Cc1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000843207909 595035649 /nfs/dbraw/zinc/03/56/49/595035649.db2.gz QFLQUYGHLDXMID-UHFFFAOYSA-N 2 1 346.435 1.010 20 0 EDADMP COCC[NH2+]Cc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000843207909 595035653 /nfs/dbraw/zinc/03/56/53/595035653.db2.gz QFLQUYGHLDXMID-UHFFFAOYSA-N 2 1 346.435 1.010 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C(C)C ZINC000846141236 595155303 /nfs/dbraw/zinc/15/53/03/595155303.db2.gz GSNQEEKSNSMICW-ULQDDVLXSA-N 2 1 340.512 1.645 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H](O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000843062025 595276976 /nfs/dbraw/zinc/27/69/76/595276976.db2.gz KQABFNAVOYRGOA-SWLSCSKDSA-N 2 1 343.265 1.529 20 0 EDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000843073641 595281184 /nfs/dbraw/zinc/28/11/84/595281184.db2.gz SDHWBLVJPNWEPC-BBRMVZONSA-N 2 1 328.403 1.825 20 0 EDADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)C2 ZINC000843110839 595288700 /nfs/dbraw/zinc/28/87/00/595288700.db2.gz BVTNOURBYIWRGP-VQIMIIECSA-N 2 1 329.444 1.673 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844172408 595290951 /nfs/dbraw/zinc/29/09/51/595290951.db2.gz XEFAWMSUXSQQIC-CRAIPNDOSA-N 2 1 347.459 1.455 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])s1 ZINC000843122416 595292322 /nfs/dbraw/zinc/29/23/22/595292322.db2.gz SEKOOUAAIOKUQL-ZDUSSCGKSA-N 2 1 339.509 1.024 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000844176174 595292894 /nfs/dbraw/zinc/29/28/94/595292894.db2.gz XZZBPQONFNTOAW-ZDUSSCGKSA-N 2 1 335.358 1.437 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000843125926 595293146 /nfs/dbraw/zinc/29/31/46/595293146.db2.gz CQGXDDARQLDTHB-DLBZAZTESA-N 2 1 331.460 1.762 20 0 EDADMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000848024182 595306034 /nfs/dbraw/zinc/30/60/34/595306034.db2.gz FPJPBMNQVPTOCX-RHSMWYFYSA-N 2 1 331.476 1.408 20 0 EDADMP Cn1nc(C(C)(C)C)cc1NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000844225750 595308952 /nfs/dbraw/zinc/30/89/52/595308952.db2.gz UADRKQMMDYGTKA-HNNXBMFYSA-N 2 1 347.507 1.400 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC000848102928 595318702 /nfs/dbraw/zinc/31/87/02/595318702.db2.gz DEBYLGXXANBEMC-QYZOEREBSA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC000848102928 595318704 /nfs/dbraw/zinc/31/87/04/595318704.db2.gz DEBYLGXXANBEMC-QYZOEREBSA-N 2 1 327.472 1.919 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC000848102928 595318707 /nfs/dbraw/zinc/31/87/07/595318707.db2.gz DEBYLGXXANBEMC-QYZOEREBSA-N 2 1 327.472 1.919 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846857305 595327325 /nfs/dbraw/zinc/32/73/25/595327325.db2.gz UDOWCTGWLTUIBP-INIZCTEOSA-N 2 1 339.443 1.886 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846857305 595327328 /nfs/dbraw/zinc/32/73/28/595327328.db2.gz UDOWCTGWLTUIBP-INIZCTEOSA-N 2 1 339.443 1.886 20 0 EDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000846920132 595337410 /nfs/dbraw/zinc/33/74/10/595337410.db2.gz UNJPABWHZNDEDD-QZTJIDSGSA-N 2 1 339.480 1.386 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000846920132 595337413 /nfs/dbraw/zinc/33/74/13/595337413.db2.gz UNJPABWHZNDEDD-QZTJIDSGSA-N 2 1 339.480 1.386 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000846920132 595337416 /nfs/dbraw/zinc/33/74/16/595337416.db2.gz UNJPABWHZNDEDD-QZTJIDSGSA-N 2 1 339.480 1.386 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848410770 595375030 /nfs/dbraw/zinc/37/50/30/595375030.db2.gz RZZSCTYYPKKPCZ-MAUKXSAKSA-N 2 1 325.416 1.582 20 0 EDADMP CO[C@H]1CCN(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844695255 595375507 /nfs/dbraw/zinc/37/55/07/595375507.db2.gz UYWBXECHMHWAJU-FHWLQOOXSA-N 2 1 343.471 1.645 20 0 EDADMP CO[C@H]1CC[N@H+](CN2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844695255 595375509 /nfs/dbraw/zinc/37/55/09/595375509.db2.gz UYWBXECHMHWAJU-FHWLQOOXSA-N 2 1 343.471 1.645 20 0 EDADMP CO[C@H]1CC[N@@H+](CN2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844695255 595375511 /nfs/dbraw/zinc/37/55/11/595375511.db2.gz UYWBXECHMHWAJU-FHWLQOOXSA-N 2 1 343.471 1.645 20 0 EDADMP CO[C@H]1CC[NH+](CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844695255 595375513 /nfs/dbraw/zinc/37/55/13/595375513.db2.gz UYWBXECHMHWAJU-FHWLQOOXSA-N 2 1 343.471 1.645 20 0 EDADMP CO[C@H]1CC[NH+](CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844695255 595375515 /nfs/dbraw/zinc/37/55/15/595375515.db2.gz UYWBXECHMHWAJU-FHWLQOOXSA-N 2 1 343.471 1.645 20 0 EDADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1COC2(CCOCC2)O1 ZINC000848539001 595404288 /nfs/dbraw/zinc/40/42/88/595404288.db2.gz GFZHEHJPVDKQPZ-IAGOWNOFSA-N 2 1 340.464 1.142 20 0 EDADMP C[NH+]1CCN([C@H](CNC(=[NH2+])NCC2CCC2)c2cccs2)CC1 ZINC000849054475 595476108 /nfs/dbraw/zinc/47/61/08/595476108.db2.gz JJTXZZSBIWIICF-OAHLLOKOSA-N 2 1 335.521 1.951 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)COc1cccc(C)c1 ZINC000849068163 595477359 /nfs/dbraw/zinc/47/73/59/595477359.db2.gz LRAYWZZBHCXSIQ-HOTGVXAUSA-N 2 1 334.464 1.333 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@H]1COc2ccccc2O1 ZINC000849096567 595481465 /nfs/dbraw/zinc/48/14/65/595481465.db2.gz VSNYQHYBFRIECQ-GJZGRUSLSA-N 2 1 332.448 1.815 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncn(-c2ccccc2)n1 ZINC000849112694 595483874 /nfs/dbraw/zinc/48/38/74/595483874.db2.gz BZBAQDICPACDDT-OAHLLOKOSA-N 2 1 327.436 1.366 20 0 EDADMP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000852793848 595545715 /nfs/dbraw/zinc/54/57/15/595545715.db2.gz HMGMWWRSDFKYKN-GXFFZTMASA-N 2 1 326.238 1.646 20 0 EDADMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC2([NH+](C)C)CCCC2)cn1 ZINC000849502420 595552842 /nfs/dbraw/zinc/55/28/42/595552842.db2.gz QJKYFDYQEAGHIM-SJORKVTESA-N 2 1 347.507 1.446 20 0 EDADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[NH+]1CCCCC1 ZINC000849504912 595553043 /nfs/dbraw/zinc/55/30/43/595553043.db2.gz GNNHANIEWKXOAT-NJAFHUGGSA-N 2 1 347.507 1.446 20 0 EDADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852834198 595566554 /nfs/dbraw/zinc/56/65/54/595566554.db2.gz YZUQJYIEDWVPNE-APPZFPTMSA-N 2 1 342.262 1.548 20 0 EDADMP Cc1[nH+]ccn1CCCC[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000860080404 595569649 /nfs/dbraw/zinc/56/96/49/595569649.db2.gz DZOKTHRUVGRYGD-UHFFFAOYSA-N 2 1 327.436 1.818 20 0 EDADMP CCN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000852861331 595581962 /nfs/dbraw/zinc/58/19/62/595581962.db2.gz BULBSUHGZAKZHE-OIISXLGYSA-N 2 1 344.459 1.774 20 0 EDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849597252 595586207 /nfs/dbraw/zinc/58/62/07/595586207.db2.gz RQVFSHNTLAEKNR-BSWAZPDLSA-N 2 1 333.480 1.006 20 0 EDADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597234 595586554 /nfs/dbraw/zinc/58/65/54/595586554.db2.gz RJXTUILHFOPUCB-IXDOHACOSA-N 2 1 333.480 1.008 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597234 595586556 /nfs/dbraw/zinc/58/65/56/595586556.db2.gz RJXTUILHFOPUCB-IXDOHACOSA-N 2 1 333.480 1.008 20 0 EDADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597234 595586558 /nfs/dbraw/zinc/58/65/58/595586558.db2.gz RJXTUILHFOPUCB-IXDOHACOSA-N 2 1 333.480 1.008 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[C@H](C)[N@@H+]1C ZINC000849598442 595587691 /nfs/dbraw/zinc/58/76/91/595587691.db2.gz ZMRGEFJKOSJEGC-FSDCSDTHSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C[C@H](C)[NH+]1C ZINC000849598442 595587696 /nfs/dbraw/zinc/58/76/96/595587696.db2.gz ZMRGEFJKOSJEGC-FSDCSDTHSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C[C@H](C)[NH+]1C ZINC000849598442 595587701 /nfs/dbraw/zinc/58/77/01/595587701.db2.gz ZMRGEFJKOSJEGC-FSDCSDTHSA-N 2 1 333.480 1.006 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000115549525 595598071 /nfs/dbraw/zinc/59/80/71/595598071.db2.gz CFZDONSVDGPFRE-QGZVFWFLSA-N 2 1 328.403 1.777 20 0 EDADMP CC[C@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000852890681 595601130 /nfs/dbraw/zinc/60/11/30/595601130.db2.gz UYFOYLFUOVAOSO-JKSUJKDBSA-N 2 1 330.432 1.213 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nc(Cl)ccc1F ZINC000855346113 595680054 /nfs/dbraw/zinc/68/00/54/595680054.db2.gz OVDBPJPVQPOAPJ-NSHDSACASA-N 2 1 330.835 1.876 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nc(Cl)ccc1F ZINC000855346113 595680058 /nfs/dbraw/zinc/68/00/58/595680058.db2.gz OVDBPJPVQPOAPJ-NSHDSACASA-N 2 1 330.835 1.876 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)C1CCOCC1 ZINC000855347156 595681733 /nfs/dbraw/zinc/68/17/33/595681733.db2.gz VUPQLVXFPNLRAG-HNNXBMFYSA-N 2 1 327.513 1.827 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)C1CCOCC1 ZINC000855347156 595681735 /nfs/dbraw/zinc/68/17/35/595681735.db2.gz VUPQLVXFPNLRAG-HNNXBMFYSA-N 2 1 327.513 1.827 20 0 EDADMP CCCS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000858097789 595699240 /nfs/dbraw/zinc/69/92/40/595699240.db2.gz ZKSSWPOWJRKUKV-HNNXBMFYSA-N 2 1 331.526 1.653 20 0 EDADMP Cc1cc2nc(C)cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n2n1 ZINC000853822943 595891881 /nfs/dbraw/zinc/89/18/81/595891881.db2.gz VHRXNANHEHIPQT-HNNXBMFYSA-N 2 1 346.479 1.348 20 0 EDADMP Cc1cc2nc(C)cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n2n1 ZINC000853822943 595891884 /nfs/dbraw/zinc/89/18/84/595891884.db2.gz VHRXNANHEHIPQT-HNNXBMFYSA-N 2 1 346.479 1.348 20 0 EDADMP CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000861354041 595959190 /nfs/dbraw/zinc/95/91/90/595959190.db2.gz SAKUDRHQAJVNOY-JQFCIGGWSA-N 2 1 330.444 1.851 20 0 EDADMP CO[C@@H]1C[NH+](C)[C@](C)(COC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000861354041 595959191 /nfs/dbraw/zinc/95/91/91/595959191.db2.gz SAKUDRHQAJVNOY-JQFCIGGWSA-N 2 1 330.444 1.851 20 0 EDADMP CO[C@@H]1C[NH+](C)[C@](C)(COC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000861354041 595959194 /nfs/dbraw/zinc/95/91/94/595959194.db2.gz SAKUDRHQAJVNOY-JQFCIGGWSA-N 2 1 330.444 1.851 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856555423 596016993 /nfs/dbraw/zinc/01/69/93/596016993.db2.gz SGTZAKYBCOFNMU-DLBZAZTESA-N 2 1 327.432 1.432 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856555423 596016996 /nfs/dbraw/zinc/01/69/96/596016996.db2.gz SGTZAKYBCOFNMU-DLBZAZTESA-N 2 1 327.432 1.432 20 0 EDADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856594016 596027081 /nfs/dbraw/zinc/02/70/81/596027081.db2.gz SVXNYHDZOGTRCZ-MAUKXSAKSA-N 2 1 348.491 1.901 20 0 EDADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856594016 596027084 /nfs/dbraw/zinc/02/70/84/596027084.db2.gz SVXNYHDZOGTRCZ-MAUKXSAKSA-N 2 1 348.491 1.901 20 0 EDADMP CCCNC(=O)[C@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856594016 596027086 /nfs/dbraw/zinc/02/70/86/596027086.db2.gz SVXNYHDZOGTRCZ-MAUKXSAKSA-N 2 1 348.491 1.901 20 0 EDADMP CCCNC(=O)[C@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856594016 596027091 /nfs/dbraw/zinc/02/70/91/596027091.db2.gz SVXNYHDZOGTRCZ-MAUKXSAKSA-N 2 1 348.491 1.901 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861590634 596039012 /nfs/dbraw/zinc/03/90/12/596039012.db2.gz APIAJSKSFPEGFT-JKSUJKDBSA-N 2 1 333.480 1.186 20 0 EDADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)CC[NH+]1CCOCC1)CC2 ZINC000854676454 596158266 /nfs/dbraw/zinc/15/82/66/596158266.db2.gz NCPBKGRBKXSPIO-UHFFFAOYSA-N 2 1 337.508 1.822 20 0 EDADMP CNS(=O)(=O)c1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000866577742 596256706 /nfs/dbraw/zinc/25/67/06/596256706.db2.gz HZBCJVGZQFHNMQ-UHFFFAOYSA-N 2 1 337.489 1.354 20 0 EDADMP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000866579896 596257642 /nfs/dbraw/zinc/25/76/42/596257642.db2.gz UPPRNGUTWREIPS-HIFRSBDPSA-N 2 1 325.478 1.210 20 0 EDADMP C[C@@H](C(=O)N1CCC2(CC1)CC[NH+](C)CC2)[NH+]1CCSCC1 ZINC000870507831 596264474 /nfs/dbraw/zinc/26/44/74/596264474.db2.gz HCLRTNHGPWQHDX-HNNXBMFYSA-N 2 1 325.522 1.758 20 0 EDADMP NC(=O)Cc1cccc2c1CC[N@@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000866684294 596293206 /nfs/dbraw/zinc/29/32/06/596293206.db2.gz LBIZMWYFYURJSQ-UHFFFAOYSA-N 2 1 335.451 1.918 20 0 EDADMP CC1(C)CC[NH2+]CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000866699946 596298872 /nfs/dbraw/zinc/29/88/72/596298872.db2.gz VNXMZFMXGUFEDV-UHFFFAOYSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709835 596304471 /nfs/dbraw/zinc/30/44/71/596304471.db2.gz MFAOUWWCVJUGRI-NODPJGRNSA-N 2 1 337.370 1.893 20 0 EDADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709835 596304473 /nfs/dbraw/zinc/30/44/73/596304473.db2.gz MFAOUWWCVJUGRI-NODPJGRNSA-N 2 1 337.370 1.893 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[NH+]1CCOCC1 ZINC000870860982 596379964 /nfs/dbraw/zinc/37/99/64/596379964.db2.gz WVUKAWDFDAYWKZ-IXDOHACOSA-N 2 1 325.497 1.757 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870893425 596393404 /nfs/dbraw/zinc/39/34/04/596393404.db2.gz UUAJXPLLNPEIRL-OKZBNKHCSA-N 2 1 344.503 1.831 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC000869237337 596456852 /nfs/dbraw/zinc/45/68/52/596456852.db2.gz SCZNBHMXTWCGMY-LSDHHAIUSA-N 2 1 348.482 1.352 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC000869237337 596456856 /nfs/dbraw/zinc/45/68/56/596456856.db2.gz SCZNBHMXTWCGMY-LSDHHAIUSA-N 2 1 348.482 1.352 20 0 EDADMP CC(C)(C)OC(=O)N1CC=C(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000863555338 596617032 /nfs/dbraw/zinc/61/70/32/596617032.db2.gz QPNWVDQFJQAQOF-INIZCTEOSA-N 2 1 339.480 1.600 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN(C)C[C@H](C)[NH3+])CC2)cc1 ZINC000863569339 596621319 /nfs/dbraw/zinc/62/13/19/596621319.db2.gz VNYVKOPPFBIEPL-INIZCTEOSA-N 2 1 348.491 1.009 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000869762656 596621721 /nfs/dbraw/zinc/62/17/21/596621721.db2.gz JTWNTCNCUOKMMM-QGZVFWFLSA-N 2 1 348.491 1.571 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000869783046 596634200 /nfs/dbraw/zinc/63/42/00/596634200.db2.gz WISUSFOGXNMSJB-QAPCUYQASA-N 2 1 345.487 1.395 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)[N@H+]1CCc2ccccc2C1 ZINC000869783046 596634202 /nfs/dbraw/zinc/63/42/02/596634202.db2.gz WISUSFOGXNMSJB-QAPCUYQASA-N 2 1 345.487 1.395 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+]1CCc2ccccc2C1 ZINC000869783046 596634204 /nfs/dbraw/zinc/63/42/04/596634204.db2.gz WISUSFOGXNMSJB-QAPCUYQASA-N 2 1 345.487 1.395 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[NH+]1CCc2ccccc2C1 ZINC000869783046 596634205 /nfs/dbraw/zinc/63/42/05/596634205.db2.gz WISUSFOGXNMSJB-QAPCUYQASA-N 2 1 345.487 1.395 20 0 EDADMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000863642534 596641249 /nfs/dbraw/zinc/64/12/49/596641249.db2.gz RIQAVHOQDCTXRI-JKSUJKDBSA-N 2 1 341.415 1.091 20 0 EDADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000863921190 596716893 /nfs/dbraw/zinc/71/68/93/596716893.db2.gz XECXVLKRAGOVLD-HKUYNNGSSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155246 596816108 /nfs/dbraw/zinc/81/61/08/596816108.db2.gz PATOGHYZLZNYGK-GJZGRUSLSA-N 2 1 326.485 1.842 20 0 EDADMP CCOc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254577 596855528 /nfs/dbraw/zinc/85/55/28/596855528.db2.gz HXISLCDWFRJRTI-UAGQMJEPSA-N 2 1 331.416 1.452 20 0 EDADMP CC1(C)CC[NH2+]CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000872295600 596872253 /nfs/dbraw/zinc/87/22/53/596872253.db2.gz GYPVJYSPEJIFFE-UHFFFAOYSA-N 2 1 344.503 1.405 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000874170428 596950289 /nfs/dbraw/zinc/95/02/89/596950289.db2.gz MBGSACKLAFMNCB-DOTOQJQBSA-N 2 1 344.459 1.239 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC(C)(C)OC ZINC000876079309 597082026 /nfs/dbraw/zinc/08/20/26/597082026.db2.gz KTVKRHKCISANMV-INIZCTEOSA-N 2 1 342.528 1.859 20 0 EDADMP CN(C(=O)NCc1cncn1C)C1CCN(CCC(F)(F)F)CC1 ZINC000876306073 597167103 /nfs/dbraw/zinc/16/71/03/597167103.db2.gz ZXWCSXYPRXKCPF-UHFFFAOYSA-N 2 1 347.385 1.978 20 0 EDADMP COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)nn1 ZINC000873210710 597229150 /nfs/dbraw/zinc/22/91/50/597229150.db2.gz PCUXCLDVSBLWRN-GFCCVEGCSA-N 2 1 347.444 1.219 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876556118 597239614 /nfs/dbraw/zinc/23/96/14/597239614.db2.gz IEPPTXOSWAPWQJ-HUUCEWRRSA-N 2 1 327.444 1.085 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875134610 597296410 /nfs/dbraw/zinc/29/64/10/597296410.db2.gz YATBCQIUUBRYSM-FHWLQOOXSA-N 2 1 344.503 1.895 20 0 EDADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000876716435 597301825 /nfs/dbraw/zinc/30/18/25/597301825.db2.gz FTWQJVSZEIXKFI-KZTWKYQFSA-N 2 1 337.508 1.651 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876735900 597312821 /nfs/dbraw/zinc/31/28/21/597312821.db2.gz RJPNRAGEYQIBSH-RCCFBDPRSA-N 2 1 333.451 1.962 20 0 EDADMP CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000876737693 597315077 /nfs/dbraw/zinc/31/50/77/597315077.db2.gz VUHTZOIDDIIPQT-NJAFHUGGSA-N 2 1 332.492 1.559 20 0 EDADMP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000876753961 597323034 /nfs/dbraw/zinc/32/30/34/597323034.db2.gz ABRGFTKQHDZFQC-KBPBESRZSA-N 2 1 345.365 1.542 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000876753961 597323041 /nfs/dbraw/zinc/32/30/41/597323041.db2.gz ABRGFTKQHDZFQC-KBPBESRZSA-N 2 1 345.365 1.542 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000876765900 597330597 /nfs/dbraw/zinc/33/05/97/597330597.db2.gz WMKJDVDOPZLHGA-QJFPOAGESA-N 2 1 337.508 1.795 20 0 EDADMP C[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000876792598 597342190 /nfs/dbraw/zinc/34/21/90/597342190.db2.gz SRYDSUWCKJPEIZ-MJGOQNOKSA-N 2 1 331.460 1.203 20 0 EDADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000876936026 597389865 /nfs/dbraw/zinc/38/98/65/597389865.db2.gz GPZGYWNCWZZPQT-HUUCEWRRSA-N 2 1 339.505 1.792 20 0 EDADMP C[N@@H+]1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)[C@@H](Cc2ccccc2)C1 ZINC000876949370 597393681 /nfs/dbraw/zinc/39/36/81/597393681.db2.gz WEKDMPHMKHMMSV-NSHGMRRFSA-N 2 1 327.472 1.904 20 0 EDADMP C[N@H+]1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)[C@@H](Cc2ccccc2)C1 ZINC000876949370 597393686 /nfs/dbraw/zinc/39/36/86/597393686.db2.gz WEKDMPHMKHMMSV-NSHGMRRFSA-N 2 1 327.472 1.904 20 0 EDADMP CN(C(=O)[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000876971497 597402132 /nfs/dbraw/zinc/40/21/32/597402132.db2.gz IVQPZRKKPUAAIJ-SCTDSRPQSA-N 2 1 334.508 1.146 20 0 EDADMP CN(C(=O)[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000876971497 597402133 /nfs/dbraw/zinc/40/21/33/597402133.db2.gz IVQPZRKKPUAAIJ-SCTDSRPQSA-N 2 1 334.508 1.146 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000877229196 597469065 /nfs/dbraw/zinc/46/90/65/597469065.db2.gz IWINTEVMFNGEFI-SJLPKXTDSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000877229196 597469068 /nfs/dbraw/zinc/46/90/68/597469068.db2.gz IWINTEVMFNGEFI-SJLPKXTDSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000877229194 597469122 /nfs/dbraw/zinc/46/91/22/597469122.db2.gz IWINTEVMFNGEFI-AEFFLSMTSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000877229194 597469124 /nfs/dbraw/zinc/46/91/24/597469124.db2.gz IWINTEVMFNGEFI-AEFFLSMTSA-N 2 1 331.460 1.312 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000877229498 597469789 /nfs/dbraw/zinc/46/97/89/597469789.db2.gz NOHVQDXFYFODIZ-GGPKGHCWSA-N 2 1 343.471 1.312 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000877229498 597469790 /nfs/dbraw/zinc/46/97/90/597469790.db2.gz NOHVQDXFYFODIZ-GGPKGHCWSA-N 2 1 343.471 1.312 20 0 EDADMP COCC[N@H+](Cc1cnc([C@@H](C)O)s1)CC1CC[NH+](C)CC1 ZINC000877664062 597546081 /nfs/dbraw/zinc/54/60/81/597546081.db2.gz GDDGFYBSLLDORQ-CYBMUJFWSA-N 2 1 327.494 1.987 20 0 EDADMP Cn1nnnc1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000878197869 597586167 /nfs/dbraw/zinc/58/61/67/597586167.db2.gz RHRYXGDMCDEBBU-MSOLQXFVSA-N 2 1 340.475 1.739 20 0 EDADMP Cn1nnnc1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000878197869 597586168 /nfs/dbraw/zinc/58/61/68/597586168.db2.gz RHRYXGDMCDEBBU-MSOLQXFVSA-N 2 1 340.475 1.739 20 0 EDADMP Cn1nnnc1CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000878197869 597586169 /nfs/dbraw/zinc/58/61/69/597586169.db2.gz RHRYXGDMCDEBBU-MSOLQXFVSA-N 2 1 340.475 1.739 20 0 EDADMP Cn1nnnc1CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000878197869 597586170 /nfs/dbraw/zinc/58/61/70/597586170.db2.gz RHRYXGDMCDEBBU-MSOLQXFVSA-N 2 1 340.475 1.739 20 0 EDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000879576780 597639989 /nfs/dbraw/zinc/63/99/89/597639989.db2.gz UCMJTIWLEBONCR-VKJFTORMSA-N 2 1 329.444 1.934 20 0 EDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000879576780 597639991 /nfs/dbraw/zinc/63/99/91/597639991.db2.gz UCMJTIWLEBONCR-VKJFTORMSA-N 2 1 329.444 1.934 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)COc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000879576780 597639993 /nfs/dbraw/zinc/63/99/93/597639993.db2.gz UCMJTIWLEBONCR-VKJFTORMSA-N 2 1 329.444 1.934 20 0 EDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)COc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000879576780 597639994 /nfs/dbraw/zinc/63/99/94/597639994.db2.gz UCMJTIWLEBONCR-VKJFTORMSA-N 2 1 329.444 1.934 20 0 EDADMP CC(C)C[N@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)CC1CC[NH+](C)CC1 ZINC000879702319 597694444 /nfs/dbraw/zinc/69/44/44/597694444.db2.gz KDTLOOASTYBJOL-IAGOWNOFSA-N 2 1 339.524 1.922 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000878864997 597738278 /nfs/dbraw/zinc/73/82/78/597738278.db2.gz CKGQSNQXRZAFDP-KRWDZBQOSA-N 2 1 327.469 1.242 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000878864997 597738281 /nfs/dbraw/zinc/73/82/81/597738281.db2.gz CKGQSNQXRZAFDP-KRWDZBQOSA-N 2 1 327.469 1.242 20 0 EDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879978209 597794783 /nfs/dbraw/zinc/79/47/83/597794783.db2.gz VCOCSHMSYZQMAW-KURKYZTESA-N 2 1 339.524 1.850 20 0 EDADMP COCC[N@@H+](C[C@@H]1CN(C2CC2)C(=O)O1)CC1CC[NH+](C)CC1 ZINC000879126845 597827446 /nfs/dbraw/zinc/82/74/46/597827446.db2.gz NNERLRVMQGNMPI-MRXNPFEDSA-N 2 1 325.453 1.260 20 0 EDADMP COCC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880098506 597840801 /nfs/dbraw/zinc/84/08/01/597840801.db2.gz OZAAZZHGLMMGND-YPMHNXCESA-N 2 1 335.370 1.690 20 0 EDADMP COCCN(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880098506 597840803 /nfs/dbraw/zinc/84/08/03/597840803.db2.gz OZAAZZHGLMMGND-YPMHNXCESA-N 2 1 335.370 1.690 20 0 EDADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879247012 597863638 /nfs/dbraw/zinc/86/36/38/597863638.db2.gz ZWIINIGOYFZWBJ-MJGOQNOKSA-N 2 1 331.460 1.395 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CF)C2)C1 ZINC000880235992 597879009 /nfs/dbraw/zinc/87/90/09/597879009.db2.gz UTJOQBFGGZDURY-JKSUJKDBSA-N 2 1 329.460 1.141 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H](CF)C2)C1 ZINC000880235992 597879011 /nfs/dbraw/zinc/87/90/11/597879011.db2.gz UTJOQBFGGZDURY-JKSUJKDBSA-N 2 1 329.460 1.141 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H](CF)C2)C1 ZINC000880235992 597879015 /nfs/dbraw/zinc/87/90/15/597879015.db2.gz UTJOQBFGGZDURY-JKSUJKDBSA-N 2 1 329.460 1.141 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@H]1CC(C)(C)CO1 ZINC000889332981 597941698 /nfs/dbraw/zinc/94/16/98/597941698.db2.gz PVXZDMUJODVVBK-HOTGVXAUSA-N 2 1 342.528 1.763 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC[C@H]1CC(C)(C)CO1 ZINC000889332981 597941700 /nfs/dbraw/zinc/94/17/00/597941700.db2.gz PVXZDMUJODVVBK-HOTGVXAUSA-N 2 1 342.528 1.763 20 0 EDADMP CC[N@@H+]1CC[C@@H]1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000882482877 597971884 /nfs/dbraw/zinc/97/18/84/597971884.db2.gz OMDZXKOTIVMBHS-GOSISDBHSA-N 2 1 330.476 1.015 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000882482877 597971885 /nfs/dbraw/zinc/97/18/85/597971885.db2.gz OMDZXKOTIVMBHS-GOSISDBHSA-N 2 1 330.476 1.015 20 0 EDADMP COCC[C@H]([NH3+])C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884223726 598035222 /nfs/dbraw/zinc/03/52/22/598035222.db2.gz XRBRJHIFCBMZHR-CIRFHOKZSA-N 2 1 333.476 1.623 20 0 EDADMP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000884327914 598069201 /nfs/dbraw/zinc/06/92/01/598069201.db2.gz FSHDSEUEPLUFMQ-KSZLIROESA-N 2 1 331.460 1.473 20 0 EDADMP CC1(C)C[NH2+]C[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000884401194 598093963 /nfs/dbraw/zinc/09/39/63/598093963.db2.gz HJDDYUSAQPEQBM-IRXDYDNUSA-N 2 1 331.460 1.115 20 0 EDADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000881388457 598137642 /nfs/dbraw/zinc/13/76/42/598137642.db2.gz NQLPVKZXFMASQV-MRXNPFEDSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000914075693 695070825 /nfs/dbraw/zinc/07/08/25/695070825.db2.gz FSLIGEJKLFDMPL-BZUAXINKSA-N 2 1 340.537 1.597 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000914075693 695070831 /nfs/dbraw/zinc/07/08/31/695070831.db2.gz FSLIGEJKLFDMPL-BZUAXINKSA-N 2 1 340.537 1.597 20 0 EDADMP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCF)[C@H]3C2)no1 ZINC000992737400 695251574 /nfs/dbraw/zinc/25/15/74/695251574.db2.gz GQRTWJRGKVETAO-QEJZJMRPSA-N 2 1 338.427 1.536 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914182809 695260490 /nfs/dbraw/zinc/26/04/90/695260490.db2.gz BLKXULIQFHJWCG-PMPSAXMXSA-N 2 1 342.553 1.842 20 0 EDADMP C[C@H](CNC(=O)NCC1([NH+](C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000914190025 695266234 /nfs/dbraw/zinc/26/62/34/695266234.db2.gz HBTRBFJSJMHMRN-OAHLLOKOSA-N 2 1 330.476 1.827 20 0 EDADMP CC(C)[N@@H+]1C[C@H](NS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)[C@@H](C)C1 ZINC000914202349 695270317 /nfs/dbraw/zinc/27/03/17/695270317.db2.gz IPPFOAKSKAYEDP-JYJNAYRXSA-N 2 1 329.510 1.120 20 0 EDADMP CC(C)[NH+]1C[C@H](NS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)[C@@H](C)C1 ZINC000914202349 695270318 /nfs/dbraw/zinc/27/03/18/695270318.db2.gz IPPFOAKSKAYEDP-JYJNAYRXSA-N 2 1 329.510 1.120 20 0 EDADMP CC(C)[NH+]1C[C@H](NS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)[C@@H](C)C1 ZINC000914202349 695270320 /nfs/dbraw/zinc/27/03/20/695270320.db2.gz IPPFOAKSKAYEDP-JYJNAYRXSA-N 2 1 329.510 1.120 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000914244220 695303864 /nfs/dbraw/zinc/30/38/64/695303864.db2.gz CZIIHPAJOFDYGU-QGZVFWFLSA-N 2 1 334.439 1.793 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1C ZINC000914252596 695306962 /nfs/dbraw/zinc/30/69/62/695306962.db2.gz GZAOHUQABYZBPF-PBHICJAKSA-N 2 1 331.464 1.438 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)[NH+]1CCCCC1 ZINC000914293767 695340864 /nfs/dbraw/zinc/34/08/64/695340864.db2.gz PXGDPFSYPHLHKD-OWCLPIDISA-N 2 1 340.537 1.740 20 0 EDADMP O=C(NC1C[NH+](CC[C@@H]2CCCCO2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001031235815 695931169 /nfs/dbraw/zinc/93/11/69/695931169.db2.gz HTZRJTKPAVPZQN-IBGZPJMESA-N 2 1 349.519 1.868 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000915733430 695978873 /nfs/dbraw/zinc/97/88/73/695978873.db2.gz CNCFWCREHGCMCG-BRWVUGGUSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cncs1 ZINC000993756232 696350684 /nfs/dbraw/zinc/35/06/84/696350684.db2.gz GNAOQZLGKBORGC-BBRMVZONSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1cncs1 ZINC000993756232 696350686 /nfs/dbraw/zinc/35/06/86/696350686.db2.gz GNAOQZLGKBORGC-BBRMVZONSA-N 2 1 336.505 1.954 20 0 EDADMP C[NH+](C)C1(CNC(=S)NCCC[NH+]2CCOCC2)CCCCC1 ZINC000916124252 696627281 /nfs/dbraw/zinc/62/72/81/696627281.db2.gz VODZKXJQPWGQBC-UHFFFAOYSA-N 2 1 342.553 1.437 20 0 EDADMP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)cn1 ZINC000994260414 696673320 /nfs/dbraw/zinc/67/33/20/696673320.db2.gz YJNRKIWGQADCBN-PBHICJAKSA-N 2 1 343.475 1.350 20 0 EDADMP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)cn1 ZINC000994260414 696673322 /nfs/dbraw/zinc/67/33/22/696673322.db2.gz YJNRKIWGQADCBN-PBHICJAKSA-N 2 1 343.475 1.350 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1cccnc1 ZINC000994261247 696675041 /nfs/dbraw/zinc/67/50/41/696675041.db2.gz ZUTJBLISCVOBLA-RDJZCZTQSA-N 2 1 328.460 1.647 20 0 EDADMP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1Cc1cccnc1 ZINC000994261247 696675043 /nfs/dbraw/zinc/67/50/43/696675043.db2.gz ZUTJBLISCVOBLA-RDJZCZTQSA-N 2 1 328.460 1.647 20 0 EDADMP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000940008732 700110770 /nfs/dbraw/zinc/11/07/70/700110770.db2.gz ZPYWSDSERNWRKA-HNNXBMFYSA-N 2 1 334.464 1.802 20 0 EDADMP CCCCCNC(=O)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000917053896 696891509 /nfs/dbraw/zinc/89/15/09/696891509.db2.gz LYVRCMWWJQVAQA-QGZVFWFLSA-N 2 1 325.497 1.462 20 0 EDADMP COCC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994467477 696904080 /nfs/dbraw/zinc/90/40/80/696904080.db2.gz VMIPJHFCAYZXRD-YJBOKZPZSA-N 2 1 333.476 1.977 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC3CCC(F)(F)CC3)C2)C1 ZINC001031418243 697068074 /nfs/dbraw/zinc/06/80/74/697068074.db2.gz JKCVCNRNUMZKNG-OAHLLOKOSA-N 2 1 345.434 1.333 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CN(CC3CCC(F)(F)CC3)C2)C1 ZINC001031418243 697068077 /nfs/dbraw/zinc/06/80/77/697068077.db2.gz JKCVCNRNUMZKNG-OAHLLOKOSA-N 2 1 345.434 1.333 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CN(CC[C@H]3CCCC3(F)F)C2)C1 ZINC001031418941 697072557 /nfs/dbraw/zinc/07/25/57/697072557.db2.gz PIEFUMCEQGLVKJ-HIFRSBDPSA-N 2 1 345.434 1.333 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CN(CC[C@H]3CCCC3(F)F)C2)C1 ZINC001031418941 697072559 /nfs/dbraw/zinc/07/25/59/697072559.db2.gz PIEFUMCEQGLVKJ-HIFRSBDPSA-N 2 1 345.434 1.333 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccc(F)c2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031674542 697483090 /nfs/dbraw/zinc/48/30/90/697483090.db2.gz LIXLHGAZLWNUGU-SFHVURJKSA-N 2 1 331.435 1.716 20 0 EDADMP CC[N@@H+]1C[C@H](NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)[C@@H](C)C1 ZINC000921406545 697594801 /nfs/dbraw/zinc/59/48/01/697594801.db2.gz KOWGEZWKMGSTRW-UAGQMJEPSA-N 2 1 333.480 1.714 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000921426520 697603257 /nfs/dbraw/zinc/60/32/57/697603257.db2.gz BOXMCNVQYADSDX-HNNXBMFYSA-N 2 1 333.480 1.925 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCc2ccns2)C1 ZINC001031713533 697733428 /nfs/dbraw/zinc/73/34/28/697733428.db2.gz BHLRQCZQCAVWQR-MRXNPFEDSA-N 2 1 336.505 1.608 20 0 EDADMP O=C(NCC1C[NH+](C/C=C/Cl)C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001031730551 698071738 /nfs/dbraw/zinc/07/17/38/698071738.db2.gz QPQJSLQFQLLERD-MRKPZDFFSA-N 2 1 341.883 1.430 20 0 EDADMP O=C(NCC1C[NH+](C/C=C/Cl)C1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001031730551 698071743 /nfs/dbraw/zinc/07/17/43/698071743.db2.gz QPQJSLQFQLLERD-MRKPZDFFSA-N 2 1 341.883 1.430 20 0 EDADMP O=C(NCC1C[NH+](C[C@@H]2CCCCO2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001031731981 698157578 /nfs/dbraw/zinc/15/75/78/698157578.db2.gz PRSGSULVBYLRMC-HOTGVXAUSA-N 2 1 332.448 1.378 20 0 EDADMP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)no1 ZINC000995037551 700209162 /nfs/dbraw/zinc/20/91/62/700209162.db2.gz NVXPGXLQUSREJU-LSDHHAIUSA-N 2 1 331.420 1.563 20 0 EDADMP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000925336823 698530231 /nfs/dbraw/zinc/53/02/31/698530231.db2.gz GCOQYRKBGKCDLR-ZIAGYGMSSA-N 2 1 333.436 1.014 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cscn2)C1 ZINC000995039368 700234377 /nfs/dbraw/zinc/23/43/77/700234377.db2.gz SPLRJEPJHXTAHG-KGLIPLIRSA-N 2 1 333.461 1.723 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cn(C)nc2C)C1 ZINC000995040998 700248404 /nfs/dbraw/zinc/24/84/04/700248404.db2.gz XVIJISXIYVXXJK-DOTOQJQBSA-N 2 1 344.463 1.308 20 0 EDADMP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031764238 699041795 /nfs/dbraw/zinc/04/17/95/699041795.db2.gz XPHZHOJSHWTVTO-ATZDWAIDSA-N 2 1 345.487 1.905 20 0 EDADMP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031764238 699041800 /nfs/dbraw/zinc/04/18/00/699041800.db2.gz XPHZHOJSHWTVTO-ATZDWAIDSA-N 2 1 345.487 1.905 20 0 EDADMP CC(C)=CC[NH+]1CC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000941544993 701575891 /nfs/dbraw/zinc/57/58/91/701575891.db2.gz GUVQKGVRJVDZGP-UHFFFAOYSA-N 2 1 334.508 1.123 20 0 EDADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cncn1C ZINC000939128756 699207485 /nfs/dbraw/zinc/20/74/85/699207485.db2.gz PBKBQNNSKYCDSQ-GOEBONIOSA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)on1 ZINC000939128703 699207536 /nfs/dbraw/zinc/20/75/36/699207536.db2.gz OEWXCZGWWCTEPU-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)co1 ZINC000939137529 699224484 /nfs/dbraw/zinc/22/44/84/699224484.db2.gz JLWGOZXUOPCFMT-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)co1 ZINC000939137529 699224487 /nfs/dbraw/zinc/22/44/87/699224487.db2.gz JLWGOZXUOPCFMT-XJKSGUPXSA-N 2 1 334.464 1.651 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)cc1 ZINC000939748567 699895549 /nfs/dbraw/zinc/89/55/49/699895549.db2.gz QNQXLXMANJHYLU-KDOFPFPSSA-N 2 1 342.443 1.837 20 0 EDADMP Cc1ncsc1CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000939752976 699902317 /nfs/dbraw/zinc/90/23/17/699902317.db2.gz BUMWWENKTSCSOG-DOMZBBRYSA-N 2 1 347.488 1.636 20 0 EDADMP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000939745944 699911631 /nfs/dbraw/zinc/91/16/31/699911631.db2.gz FGPYXKJGCDXJAM-MLGOLLRUSA-N 2 1 331.420 1.379 20 0 EDADMP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cnsn2)C1)C12CCC[NH+]1CCC2 ZINC000995013470 699947977 /nfs/dbraw/zinc/94/79/77/699947977.db2.gz HVOIKKURKOTZMY-KBPBESRZSA-N 2 1 349.504 1.541 20 0 EDADMP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000940150567 700300403 /nfs/dbraw/zinc/30/04/03/700300403.db2.gz XVXLZFUKABQNSN-OAHLLOKOSA-N 2 1 343.431 1.919 20 0 EDADMP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000940179268 700313537 /nfs/dbraw/zinc/31/35/37/700313537.db2.gz SEUUDDCDKCEFGY-INIZCTEOSA-N 2 1 348.495 1.253 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]C[C@H]2CC[C@@H](C)O2)CC1 ZINC000940211745 700377882 /nfs/dbraw/zinc/37/78/82/700377882.db2.gz LKTBPIANQUAKGL-HZPDHXFCSA-N 2 1 334.464 1.730 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2cnoc2C)CC1 ZINC000940212082 700378658 /nfs/dbraw/zinc/37/86/58/700378658.db2.gz RQMUYDUQRUDKHF-UHFFFAOYSA-N 2 1 331.420 1.659 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C[C@@](C)(COC)CC2=O)C1 ZINC000083114190 700407149 /nfs/dbraw/zinc/40/71/49/700407149.db2.gz UNWFNNLCUSATBV-AEFFLSMTSA-N 2 1 341.496 1.262 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C[C@@](C)(COC)CC2=O)C1 ZINC000083114190 700407150 /nfs/dbraw/zinc/40/71/50/700407150.db2.gz UNWFNNLCUSATBV-AEFFLSMTSA-N 2 1 341.496 1.262 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccns2)CC1 ZINC000940327631 700504756 /nfs/dbraw/zinc/50/47/56/700504756.db2.gz LJHGZIHRNGWWGU-ZFWWWQNUSA-N 2 1 336.505 1.812 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1 ZINC000940329207 700508420 /nfs/dbraw/zinc/50/84/20/700508420.db2.gz RKJVPANVKGBRKU-JSGCOSHPSA-N 2 1 337.493 1.207 20 0 EDADMP CCn1cc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC000940426478 700620168 /nfs/dbraw/zinc/62/01/68/700620168.db2.gz SBQRLSHAEYXLRU-OAHLLOKOSA-N 2 1 348.495 1.111 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940426683 700620426 /nfs/dbraw/zinc/62/04/26/700620426.db2.gz XOMJGNAQIOETIF-AWEZNQCLSA-N 2 1 335.452 1.191 20 0 EDADMP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940426683 700620428 /nfs/dbraw/zinc/62/04/28/700620428.db2.gz XOMJGNAQIOETIF-AWEZNQCLSA-N 2 1 335.452 1.191 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC3CC(C)C3)CC2)C1 ZINC000940466745 700652713 /nfs/dbraw/zinc/65/27/13/700652713.db2.gz DOODUAHZLCODCD-JCYILVPMSA-N 2 1 337.508 1.724 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC3CC(C)C3)CC2)C1 ZINC000940466745 700652714 /nfs/dbraw/zinc/65/27/14/700652714.db2.gz DOODUAHZLCODCD-JCYILVPMSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940748277 700873930 /nfs/dbraw/zinc/87/39/30/700873930.db2.gz WXWYODKRERPATK-HOTGVXAUSA-N 2 1 339.524 1.848 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000940736735 700877873 /nfs/dbraw/zinc/87/78/73/700877873.db2.gz IYSKSTKVISIDFX-JKSUJKDBSA-N 2 1 325.497 1.458 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940736735 700877875 /nfs/dbraw/zinc/87/78/75/700877875.db2.gz IYSKSTKVISIDFX-JKSUJKDBSA-N 2 1 325.497 1.458 20 0 EDADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940736735 700877876 /nfs/dbraw/zinc/87/78/76/700877876.db2.gz IYSKSTKVISIDFX-JKSUJKDBSA-N 2 1 325.497 1.458 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCOC)CC2(C)C)C1 ZINC000940973842 701016050 /nfs/dbraw/zinc/01/60/50/701016050.db2.gz XSZWIJRVYSGJGS-IRXDYDNUSA-N 2 1 339.524 1.972 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CCOC)CC2(C)C)C1 ZINC000940973842 701016051 /nfs/dbraw/zinc/01/60/51/701016051.db2.gz XSZWIJRVYSGJGS-IRXDYDNUSA-N 2 1 339.524 1.972 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CCOC)CC2(C)C)C1 ZINC000940973842 701016052 /nfs/dbraw/zinc/01/60/52/701016052.db2.gz XSZWIJRVYSGJGS-IRXDYDNUSA-N 2 1 339.524 1.972 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)CC2(C)C)cc1 ZINC000941094016 701133601 /nfs/dbraw/zinc/13/36/01/701133601.db2.gz WEKVFWSDJLODDA-MRXNPFEDSA-N 2 1 346.475 1.064 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)CC2(C)C)cc1 ZINC000941094016 701133602 /nfs/dbraw/zinc/13/36/02/701133602.db2.gz WEKVFWSDJLODDA-MRXNPFEDSA-N 2 1 346.475 1.064 20 0 EDADMP Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941163532 701228626 /nfs/dbraw/zinc/22/86/26/701228626.db2.gz MGFWMEUOOKJBSF-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1cncc1C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941163532 701228629 /nfs/dbraw/zinc/22/86/29/701228629.db2.gz MGFWMEUOOKJBSF-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP Cn1cncc1C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941163532 701228632 /nfs/dbraw/zinc/22/86/32/701228632.db2.gz MGFWMEUOOKJBSF-NVXWUHKLSA-N 2 1 347.507 1.479 20 0 EDADMP CC1(C)C[N@@H+](C[C@H]2CCCOC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166985 701377939 /nfs/dbraw/zinc/37/79/39/701377939.db2.gz NVFRHQOIYRCINN-IAGOWNOFSA-N 2 1 349.519 1.726 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCc3cccs3)C2)C1 ZINC001032196841 701708983 /nfs/dbraw/zinc/70/89/83/701708983.db2.gz CNGKCVLBOAECEL-MRXNPFEDSA-N 2 1 337.489 1.059 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCc3cccs3)C2)C1 ZINC001032196841 701708986 /nfs/dbraw/zinc/70/89/86/701708986.db2.gz CNGKCVLBOAECEL-MRXNPFEDSA-N 2 1 337.489 1.059 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC3CCC(C)CC3)C2)C1 ZINC001032202737 701887362 /nfs/dbraw/zinc/88/73/62/701887362.db2.gz UQVNMHZBGMVPOW-HTWSVDAQSA-N 2 1 337.508 1.581 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC3CCC(C)CC3)C2)C1 ZINC001032202737 701887368 /nfs/dbraw/zinc/88/73/68/701887368.db2.gz UQVNMHZBGMVPOW-HTWSVDAQSA-N 2 1 337.508 1.581 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)cc1C ZINC001031975955 701931923 /nfs/dbraw/zinc/93/19/23/701931923.db2.gz CHODGQXNPIHBNZ-CRAIPNDOSA-N 2 1 345.487 1.749 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCOc2cccc(F)c2)C1 ZINC001031976790 701975299 /nfs/dbraw/zinc/97/52/99/701975299.db2.gz SNMIURLCJDFBFU-KDOFPFPSSA-N 2 1 349.450 1.450 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC000999191375 706633938 /nfs/dbraw/zinc/63/39/38/706633938.db2.gz XXXYGKPRVWTRIF-IJEWVQPXSA-N 2 1 334.464 1.658 20 0 EDADMP CCc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC000999191375 706633939 /nfs/dbraw/zinc/63/39/39/706633939.db2.gz XXXYGKPRVWTRIF-IJEWVQPXSA-N 2 1 334.464 1.658 20 0 EDADMP Cc1nc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cs1 ZINC001031979402 702067573 /nfs/dbraw/zinc/06/75/73/702067573.db2.gz CXLDHBHSAUJISH-WBMJQRKESA-N 2 1 336.505 1.240 20 0 EDADMP COCc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032181208 702096293 /nfs/dbraw/zinc/09/62/93/702096293.db2.gz CGSPOHSAUXWPFI-SFHVURJKSA-N 2 1 331.460 1.333 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ncccn1 ZINC000995825050 702096260 /nfs/dbraw/zinc/09/62/60/702096260.db2.gz QOXRVRCLIUORDB-HZPDHXFCSA-N 2 1 343.475 1.145 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cn(C)nc2C)C1 ZINC001032206151 702132006 /nfs/dbraw/zinc/13/20/06/702132006.db2.gz SRZJSPSEJJMTGX-KRWDZBQOSA-N 2 1 333.480 1.151 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cn(C)nc2C)C1 ZINC001032206151 702132009 /nfs/dbraw/zinc/13/20/09/702132009.db2.gz SRZJSPSEJJMTGX-KRWDZBQOSA-N 2 1 333.480 1.151 20 0 EDADMP Cc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cc1 ZINC001031980593 702139344 /nfs/dbraw/zinc/13/93/44/702139344.db2.gz WERAXJFASQJAJP-VQIMIIECSA-N 2 1 329.488 1.783 20 0 EDADMP CC(C)Oc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032182079 702182921 /nfs/dbraw/zinc/18/29/21/702182921.db2.gz DLUIWSIKTZRBIX-SFHVURJKSA-N 2 1 345.487 1.974 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1F ZINC001032182232 702190906 /nfs/dbraw/zinc/19/09/06/702190906.db2.gz IBMVSXJJNYMEIK-OAHLLOKOSA-N 2 1 335.423 1.334 20 0 EDADMP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001032182232 702190910 /nfs/dbraw/zinc/19/09/10/702190910.db2.gz IBMVSXJJNYMEIK-OAHLLOKOSA-N 2 1 335.423 1.334 20 0 EDADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000995893738 702195392 /nfs/dbraw/zinc/19/53/92/702195392.db2.gz IZNCGLSNTGCKQV-HZPDHXFCSA-N 2 1 333.480 1.050 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2nccs2)C(C)(C)C1)C1CC1 ZINC000995900813 702207037 /nfs/dbraw/zinc/20/70/37/702207037.db2.gz ZRZGSUASEDHXPB-HIFRSBDPSA-N 2 1 336.505 1.810 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995911885 702269271 /nfs/dbraw/zinc/26/92/71/702269271.db2.gz BHCPEONDRZIUFQ-ZBFHGGJFSA-N 2 1 349.479 1.579 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995911885 702269275 /nfs/dbraw/zinc/26/92/75/702269275.db2.gz BHCPEONDRZIUFQ-ZBFHGGJFSA-N 2 1 349.479 1.579 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000995916488 702277546 /nfs/dbraw/zinc/27/75/46/702277546.db2.gz QYBMQKJNZBASHP-CABCVRRESA-N 2 1 335.452 1.271 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000995916488 702277549 /nfs/dbraw/zinc/27/75/49/702277549.db2.gz QYBMQKJNZBASHP-CABCVRRESA-N 2 1 335.452 1.271 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC001032186898 702287822 /nfs/dbraw/zinc/28/78/22/702287822.db2.gz ZBWFECLUHPCNMR-CRAIPNDOSA-N 2 1 331.435 1.813 20 0 EDADMP C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1)[NH+]1CCCCCC1 ZINC001032664560 706657894 /nfs/dbraw/zinc/65/78/94/706657894.db2.gz IECHFZNWGSQFSB-NEWSRXKRSA-N 2 1 349.519 1.963 20 0 EDADMP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995965510 702311380 /nfs/dbraw/zinc/31/13/80/702311380.db2.gz CGRSZUGHJOOMGU-HZPDHXFCSA-N 2 1 334.464 1.794 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000995975080 702331970 /nfs/dbraw/zinc/33/19/70/702331970.db2.gz IMSPLMCVCDWIEV-HUUCEWRRSA-N 2 1 336.505 1.954 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)co1 ZINC000995981782 702340616 /nfs/dbraw/zinc/34/06/16/702340616.db2.gz NURHCCRTUIPQEA-HOTGVXAUSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)co1 ZINC000995981782 702340623 /nfs/dbraw/zinc/34/06/23/702340623.db2.gz NURHCCRTUIPQEA-HOTGVXAUSA-N 2 1 334.464 1.794 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ocnc3C)C2)CC[N@H+]1C ZINC000999209111 706662294 /nfs/dbraw/zinc/66/22/94/706662294.db2.gz OLTHOLRXBXWKAS-HRCADAONSA-N 2 1 334.464 1.794 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944167353 702406320 /nfs/dbraw/zinc/40/63/20/702406320.db2.gz DBJPZQFUOKLOIO-WMLDXEAASA-N 2 1 345.491 1.151 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944151583 702435031 /nfs/dbraw/zinc/43/50/31/702435031.db2.gz AOUBLJXDZMGPGE-WMLDXEAASA-N 2 1 346.450 1.643 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944151583 702435032 /nfs/dbraw/zinc/43/50/32/702435032.db2.gz AOUBLJXDZMGPGE-WMLDXEAASA-N 2 1 346.450 1.643 20 0 EDADMP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)oc1C ZINC000944153360 702441207 /nfs/dbraw/zinc/44/12/07/702441207.db2.gz HBCIXIZFSCNXLC-XJKSGUPXSA-N 2 1 346.475 1.714 20 0 EDADMP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)oc1C ZINC000944153360 702441210 /nfs/dbraw/zinc/44/12/10/702441210.db2.gz HBCIXIZFSCNXLC-XJKSGUPXSA-N 2 1 346.475 1.714 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)C(C)(C)C1 ZINC000996062657 702473152 /nfs/dbraw/zinc/47/31/52/702473152.db2.gz XLLUPTUVHSIRNS-HZPDHXFCSA-N 2 1 334.464 1.587 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995549989 702537713 /nfs/dbraw/zinc/53/77/13/702537713.db2.gz GSHQUFOIPFAHNU-IRXDYDNUSA-N 2 1 347.507 1.421 20 0 EDADMP Cn1ncc(C[NH2+][C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC2(C)C)n1 ZINC000996132088 702563202 /nfs/dbraw/zinc/56/32/02/702563202.db2.gz FHTMQBYHKCXKKX-HNNXBMFYSA-N 2 1 348.495 1.016 20 0 EDADMP Cn1cc(C[NH2+][C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC2(C)C)nn1 ZINC000996139436 702568279 /nfs/dbraw/zinc/56/82/79/702568279.db2.gz YQJVBDHLYVSHFO-HNNXBMFYSA-N 2 1 348.495 1.016 20 0 EDADMP C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942098997 702593647 /nfs/dbraw/zinc/59/36/47/702593647.db2.gz FIBGXOGPBDJOLX-DZGCQCFKSA-N 2 1 339.505 1.632 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)CC[N@@H+]1C ZINC000996197185 702623620 /nfs/dbraw/zinc/62/36/20/702623620.db2.gz RUQMDFKBJRUBRJ-JYJNAYRXSA-N 2 1 345.491 1.534 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)CC[N@H+]1C ZINC000996197185 702623622 /nfs/dbraw/zinc/62/36/22/702623622.db2.gz RUQMDFKBJRUBRJ-JYJNAYRXSA-N 2 1 345.491 1.534 20 0 EDADMP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)nc1 ZINC000996245737 702649219 /nfs/dbraw/zinc/64/92/19/702649219.db2.gz GNCJNUCUNFQLOS-MRXNPFEDSA-N 2 1 345.491 1.453 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2(C)C)co1 ZINC000996250832 702652552 /nfs/dbraw/zinc/65/25/52/702652552.db2.gz ZDQKEZURRPPEOL-JKSUJKDBSA-N 2 1 336.480 1.896 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1 ZINC000996299907 702691056 /nfs/dbraw/zinc/69/10/56/702691056.db2.gz GPKDLFIZRVSSLK-HOCLYGCPSA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]CCn3cccn3)C(C)(C)C2)C1 ZINC000996299944 702691297 /nfs/dbraw/zinc/69/12/97/702691297.db2.gz HFRUMGPZWAODHH-HOTGVXAUSA-N 2 1 333.480 1.052 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)C1 ZINC000996300217 702691966 /nfs/dbraw/zinc/69/19/66/702691966.db2.gz KJNCVSLUJWALQV-DOTOQJQBSA-N 2 1 347.507 1.131 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996302676 702694882 /nfs/dbraw/zinc/69/48/82/702694882.db2.gz YRHWRBZSQJPFCE-UKRRQHHQSA-N 2 1 336.505 1.954 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]CC3CCOCC3)C(C)(C)C2)C1 ZINC000996302608 702694889 /nfs/dbraw/zinc/69/48/89/702694889.db2.gz XWQSVXVFUSTJJE-NVXWUHKLSA-N 2 1 337.508 1.581 20 0 EDADMP CC1CC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032675939 706695411 /nfs/dbraw/zinc/69/54/11/706695411.db2.gz XBPDPVYFVVWQQS-RLNQZENFSA-N 2 1 345.491 1.390 20 0 EDADMP Cn1ccnc1C[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996519754 702855813 /nfs/dbraw/zinc/85/58/13/702855813.db2.gz QQFRXGXOJJJIMF-CABCVRRESA-N 2 1 333.480 1.089 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)ncn1 ZINC000996521317 702857126 /nfs/dbraw/zinc/85/71/26/702857126.db2.gz VGIFCUNSXHWWIF-RDJZCZTQSA-N 2 1 345.491 1.453 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3nccnc3C)CC2)CC[N@H+]1C ZINC000996603982 702913603 /nfs/dbraw/zinc/91/36/03/702913603.db2.gz PDCSXZIXJLAYCX-FUHWJXTLSA-N 2 1 345.491 1.596 20 0 EDADMP CCCn1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000996610368 702915509 /nfs/dbraw/zinc/91/55/09/702915509.db2.gz ZVSQXANMWRMQST-GDBMZVCRSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)C(C)(C)C1 ZINC000996613126 702917991 /nfs/dbraw/zinc/91/79/91/702917991.db2.gz UFNMQIIMLYAWAZ-DLBZAZTESA-N 2 1 348.491 1.977 20 0 EDADMP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC000996609560 702920656 /nfs/dbraw/zinc/92/06/56/702920656.db2.gz HUIGZEVAYQKXAZ-OAHLLOKOSA-N 2 1 331.420 1.515 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3cc4n(n3)CCC4)C(C)(C)C2)C1 ZINC000996617729 702924464 /nfs/dbraw/zinc/92/44/64/702924464.db2.gz VUOGFFUKQTYVCU-YOEHRIQHSA-N 2 1 345.491 1.108 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3nccn3C)CC2)C1 ZINC000996667061 702963891 /nfs/dbraw/zinc/96/38/91/702963891.db2.gz SCEYZKWBTJSTBV-MRXNPFEDSA-N 2 1 347.507 1.479 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC000996669641 702971448 /nfs/dbraw/zinc/97/14/48/702971448.db2.gz RIMDIFFCENWQEV-MRXNPFEDSA-N 2 1 348.495 1.159 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000996676340 702975176 /nfs/dbraw/zinc/97/51/76/702975176.db2.gz HEILKQQFNPWPSS-DLBZAZTESA-N 2 1 346.475 1.910 20 0 EDADMP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996676163 702975316 /nfs/dbraw/zinc/97/53/16/702975316.db2.gz FWZWENPABUVVGY-QGZVFWFLSA-N 2 1 339.443 1.936 20 0 EDADMP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)o1 ZINC000996681208 702979886 /nfs/dbraw/zinc/97/98/86/702979886.db2.gz XUBWEUWGEFTSRC-MRXNPFEDSA-N 2 1 343.431 1.838 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)ncn1 ZINC000996691132 702988423 /nfs/dbraw/zinc/98/84/23/702988423.db2.gz SHNGGYJHASOJDU-GOSISDBHSA-N 2 1 345.491 1.740 20 0 EDADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996715373 703009936 /nfs/dbraw/zinc/00/99/36/703009936.db2.gz FSZKRBRFUFTCDG-HOCLYGCPSA-N 2 1 349.504 1.636 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000996723400 703018561 /nfs/dbraw/zinc/01/85/61/703018561.db2.gz MGSVUTBPZPXLDB-DLBZAZTESA-N 2 1 337.508 1.866 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)ncn1 ZINC000996725096 703019649 /nfs/dbraw/zinc/01/96/49/703019649.db2.gz RJOATFHIIKFKTO-KRWDZBQOSA-N 2 1 331.464 1.350 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556263 703070584 /nfs/dbraw/zinc/07/05/84/703070584.db2.gz YMIUAHZIYYNHPM-DOTOQJQBSA-N 2 1 347.507 1.621 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000996803507 703094148 /nfs/dbraw/zinc/09/41/48/703094148.db2.gz WEGSOYUHVGIRHR-INIZCTEOSA-N 2 1 334.464 1.587 20 0 EDADMP CC1CC(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CC2)C1 ZINC000996815652 703101789 /nfs/dbraw/zinc/10/17/89/703101789.db2.gz DAANUABIKNIIKD-ZVQXUQNISA-N 2 1 347.503 1.476 20 0 EDADMP Cc1conc1C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597062 703111744 /nfs/dbraw/zinc/11/17/44/703111744.db2.gz IPTAZTPCXIABQB-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1conc1C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597062 703111745 /nfs/dbraw/zinc/11/17/45/703111745.db2.gz IPTAZTPCXIABQB-BBRMVZONSA-N 2 1 334.464 1.651 20 0 EDADMP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996855824 703133992 /nfs/dbraw/zinc/13/39/92/703133992.db2.gz IDCCRQRZFREOQM-MRXNPFEDSA-N 2 1 349.504 1.493 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000948474204 703153205 /nfs/dbraw/zinc/15/32/05/703153205.db2.gz QYPDPITZXHDJFC-KRWDZBQOSA-N 2 1 337.508 1.558 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3cnon3)CC2)C1 ZINC000996901805 703172028 /nfs/dbraw/zinc/17/20/28/703172028.db2.gz AXSUGYPOGSUYMC-CQSZACIVSA-N 2 1 335.452 1.272 20 0 EDADMP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032042625 703204068 /nfs/dbraw/zinc/20/40/68/703204068.db2.gz GWWRNYVKXDVWPD-ROUUACIJSA-N 2 1 345.491 1.028 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC000996998471 703255639 /nfs/dbraw/zinc/25/56/39/703255639.db2.gz KARKPYROXCZTSU-CHWSQXEVSA-N 2 1 335.452 1.504 20 0 EDADMP C[C@H]1CC[C@H](C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)O1 ZINC000996999407 703256394 /nfs/dbraw/zinc/25/63/94/703256394.db2.gz OELYPGIIUCGDNJ-DOTOQJQBSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000997001534 703258189 /nfs/dbraw/zinc/25/81/89/703258189.db2.gz UYLBEQJAEJNSNP-QFBILLFUSA-N 2 1 345.487 1.785 20 0 EDADMP Cc1ccncc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000996996680 703259929 /nfs/dbraw/zinc/25/99/29/703259929.db2.gz YAWIHMZRMTXRHG-INIZCTEOSA-N 2 1 330.476 1.955 20 0 EDADMP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997004116 703261232 /nfs/dbraw/zinc/26/12/32/703261232.db2.gz BSMDACJZSZMFNF-CXAGYDPISA-N 2 1 348.491 1.824 20 0 EDADMP CCn1ccnc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000997008042 703265553 /nfs/dbraw/zinc/26/55/53/703265553.db2.gz UPZHAFKJHXMJKH-OAHLLOKOSA-N 2 1 333.480 1.325 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)on1 ZINC000997008794 703267059 /nfs/dbraw/zinc/26/70/59/703267059.db2.gz XETBSILCONMSOY-CYBMUJFWSA-N 2 1 336.436 1.106 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC000997010570 703270969 /nfs/dbraw/zinc/27/09/69/703270969.db2.gz SOWOTAHXMSKKSU-CXAGYDPISA-N 2 1 346.475 1.830 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000997061762 703312747 /nfs/dbraw/zinc/31/27/47/703312747.db2.gz JTQNXRBFPNBQOB-SFHVURJKSA-N 2 1 347.507 1.764 20 0 EDADMP Cc1ccccc1C[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000997092131 703338332 /nfs/dbraw/zinc/33/83/32/703338332.db2.gz ALJHFUNYHUPTII-UHFFFAOYSA-N 2 1 345.487 1.798 20 0 EDADMP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997131260 703390705 /nfs/dbraw/zinc/39/07/05/703390705.db2.gz DYRWSLPNAULKTF-AEFFLSMTSA-N 2 1 339.524 1.827 20 0 EDADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC2)CC1 ZINC001032408963 703438242 /nfs/dbraw/zinc/43/82/42/703438242.db2.gz QHMQUFICRWPEGZ-OKYOBFRVSA-N 2 1 347.503 1.428 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(CO)cc2)CC[N@@H+]1C ZINC001032411833 703449104 /nfs/dbraw/zinc/44/91/04/703449104.db2.gz YDYJALCSMZOFFR-GRGSLBFTSA-N 2 1 343.471 1.304 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(CO)cc2)CC[N@H+]1C ZINC001032411833 703449106 /nfs/dbraw/zinc/44/91/06/703449106.db2.gz YDYJALCSMZOFFR-GRGSLBFTSA-N 2 1 343.471 1.304 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(CO)cc2)CC[NH+]1C ZINC001032411833 703449108 /nfs/dbraw/zinc/44/91/08/703449108.db2.gz YDYJALCSMZOFFR-GRGSLBFTSA-N 2 1 343.471 1.304 20 0 EDADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(CO)cc2)CC[NH+]1C ZINC001032411833 703449111 /nfs/dbraw/zinc/44/91/11/703449111.db2.gz YDYJALCSMZOFFR-GRGSLBFTSA-N 2 1 343.471 1.304 20 0 EDADMP Cc1nc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)oc1C ZINC000997182000 703466860 /nfs/dbraw/zinc/46/68/60/703466860.db2.gz FNCHWVPALUYJMC-OAHLLOKOSA-N 2 1 334.464 1.714 20 0 EDADMP Cc1ccnc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997185083 703473752 /nfs/dbraw/zinc/47/37/52/703473752.db2.gz PGFUPEYJQNCJJX-OAHLLOKOSA-N 2 1 331.464 1.207 20 0 EDADMP CCCc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000997296647 703555443 /nfs/dbraw/zinc/55/54/43/703555443.db2.gz AQNSBWZFZPVJSU-ZDUSSCGKSA-N 2 1 335.452 1.054 20 0 EDADMP CCCc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000997296647 703555444 /nfs/dbraw/zinc/55/54/44/703555444.db2.gz AQNSBWZFZPVJSU-ZDUSSCGKSA-N 2 1 335.452 1.054 20 0 EDADMP CC(C)c1noc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000997307515 703565990 /nfs/dbraw/zinc/56/59/90/703565990.db2.gz SUXFGUQDIMEAKV-UHFFFAOYSA-N 2 1 335.452 1.369 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nonc2C)CC1 ZINC000997366159 703599835 /nfs/dbraw/zinc/59/98/35/703599835.db2.gz YVGHKQBOEXWVEN-INIZCTEOSA-N 2 1 335.452 1.333 20 0 EDADMP CCOC1CC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2([NH+](C)C)CCC2)C1 ZINC001032444131 703620940 /nfs/dbraw/zinc/62/09/40/703620940.db2.gz LXPQHKQLZJTSDH-YZUHTNEWSA-N 2 1 335.492 1.571 20 0 EDADMP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(CO)cc1)C1CCC1 ZINC001032448477 703623959 /nfs/dbraw/zinc/62/39/59/703623959.db2.gz PNJALCDIIIXHDW-OALUTQOASA-N 2 1 343.471 1.448 20 0 EDADMP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(CO)cc1)C1CCC1 ZINC001032448477 703623960 /nfs/dbraw/zinc/62/39/60/703623960.db2.gz PNJALCDIIIXHDW-OALUTQOASA-N 2 1 343.471 1.448 20 0 EDADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(CO)cc1)C1CCC1 ZINC001032448477 703623961 /nfs/dbraw/zinc/62/39/61/703623961.db2.gz PNJALCDIIIXHDW-OALUTQOASA-N 2 1 343.471 1.448 20 0 EDADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(CO)cc1)C1CCC1 ZINC001032448477 703623962 /nfs/dbraw/zinc/62/39/62/703623962.db2.gz PNJALCDIIIXHDW-OALUTQOASA-N 2 1 343.471 1.448 20 0 EDADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000921584567 703627707 /nfs/dbraw/zinc/62/77/07/703627707.db2.gz VOXICPBZMFRJHU-RHSMWYFYSA-N 2 1 331.464 1.610 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CC(C)(C)CO1)[NH+](C)C ZINC001032459790 703639605 /nfs/dbraw/zinc/63/96/05/703639605.db2.gz NJWLGCKMTPYMND-NXOAAHMSSA-N 2 1 337.508 1.673 20 0 EDADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCOCC1)[NH+](C)C ZINC001032475006 703695034 /nfs/dbraw/zinc/69/50/34/703695034.db2.gz RHKCIIMBDLLKKM-OKZBNKHCSA-N 2 1 337.508 1.819 20 0 EDADMP Cc1nocc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997515107 703765062 /nfs/dbraw/zinc/76/50/62/703765062.db2.gz IUHHAAXMNJYYHE-GUYCJALGSA-N 2 1 334.464 1.794 20 0 EDADMP CCc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000997614681 703912468 /nfs/dbraw/zinc/91/24/68/703912468.db2.gz RXNFAJNUMMLTMV-HIFRSBDPSA-N 2 1 349.479 1.615 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3cncn3C)C2)C1 ZINC000999284814 706778064 /nfs/dbraw/zinc/77/80/64/706778064.db2.gz YPSYCFAPXVZVCD-GTPINHCMSA-N 2 1 347.507 1.621 20 0 EDADMP CC[C@@H](C[NH+]1CC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1)OC ZINC001042925138 704043673 /nfs/dbraw/zinc/04/36/73/704043673.db2.gz XYYUFVQMDIFMQM-WBVHZDCISA-N 2 1 325.497 1.817 20 0 EDADMP CC[C@@H](C[NH+]1CC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1)OC ZINC001042925138 704043678 /nfs/dbraw/zinc/04/36/78/704043678.db2.gz XYYUFVQMDIFMQM-WBVHZDCISA-N 2 1 325.497 1.817 20 0 EDADMP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3nnc(C)o3)C2)C1 ZINC000999291180 706786419 /nfs/dbraw/zinc/78/64/19/706786419.db2.gz PNQXJPOBUFMPOK-FHERZECASA-N 2 1 349.479 1.579 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3nnc(C)o3)C2)C1 ZINC000999291180 706786423 /nfs/dbraw/zinc/78/64/23/706786423.db2.gz PNQXJPOBUFMPOK-FHERZECASA-N 2 1 349.479 1.579 20 0 EDADMP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000999294006 706791286 /nfs/dbraw/zinc/79/12/86/706791286.db2.gz OWRSQJJRKPWRFX-RDUJMCCZSA-N 2 1 334.464 1.792 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033083477 704141571 /nfs/dbraw/zinc/14/15/71/704141571.db2.gz XKDLDWHOKMLMHV-ZWKOTPCHSA-N 2 1 346.450 1.595 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033083477 704141573 /nfs/dbraw/zinc/14/15/73/704141573.db2.gz XKDLDWHOKMLMHV-ZWKOTPCHSA-N 2 1 346.450 1.595 20 0 EDADMP Cc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033080175 704145700 /nfs/dbraw/zinc/14/57/00/704145700.db2.gz DTLLYIZYQUGUPN-IRXDYDNUSA-N 2 1 332.448 1.358 20 0 EDADMP Cc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033080175 704145701 /nfs/dbraw/zinc/14/57/01/704145701.db2.gz DTLLYIZYQUGUPN-IRXDYDNUSA-N 2 1 332.448 1.358 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2(C)C)cc1 ZINC000995586912 704551613 /nfs/dbraw/zinc/55/16/13/704551613.db2.gz JNXOKQWRUZVLGE-QZTJIDSGSA-N 2 1 345.487 1.652 20 0 EDADMP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2(C)C)cc1 ZINC000995586912 704551614 /nfs/dbraw/zinc/55/16/14/704551614.db2.gz JNXOKQWRUZVLGE-QZTJIDSGSA-N 2 1 345.487 1.652 20 0 EDADMP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2(C)C)c1 ZINC000995609435 704575020 /nfs/dbraw/zinc/57/50/20/704575020.db2.gz XQJZWCSIYORBMB-DLBZAZTESA-N 2 1 346.475 1.047 20 0 EDADMP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2(C)C)c1 ZINC000995609435 704575022 /nfs/dbraw/zinc/57/50/22/704575022.db2.gz XQJZWCSIYORBMB-DLBZAZTESA-N 2 1 346.475 1.047 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947936331 704664499 /nfs/dbraw/zinc/66/44/99/704664499.db2.gz VLYNHXYLWBEPEE-BBRMVZONSA-N 2 1 346.475 1.856 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ncnn2C)CC1 ZINC000997776521 704677599 /nfs/dbraw/zinc/67/75/99/704677599.db2.gz OOUAITPVLFTVKX-MRXNPFEDSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000997785134 704689338 /nfs/dbraw/zinc/68/93/38/704689338.db2.gz JTTQOMINYOSVIC-GDBMZVCRSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000997793617 704706464 /nfs/dbraw/zinc/70/64/64/704706464.db2.gz RZDZCYUIURSPNA-CXAGYDPISA-N 2 1 334.464 1.651 20 0 EDADMP C[N@H+](CC(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1)C1CCC1 ZINC000997832050 704750259 /nfs/dbraw/zinc/75/02/59/704750259.db2.gz XWAXPYOWEHAWQS-UHFFFAOYSA-N 2 1 337.493 1.351 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1)C1CCC1 ZINC000997832050 704750260 /nfs/dbraw/zinc/75/02/60/704750260.db2.gz XWAXPYOWEHAWQS-UHFFFAOYSA-N 2 1 337.493 1.351 20 0 EDADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997839129 704754633 /nfs/dbraw/zinc/75/46/33/704754633.db2.gz GMSZFFQOQUPUEA-QGZVFWFLSA-N 2 1 334.464 1.877 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000997864563 704771195 /nfs/dbraw/zinc/77/11/95/704771195.db2.gz KNQQSDMACKHAGB-MRXNPFEDSA-N 2 1 336.505 1.956 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cnns2)CC1 ZINC000997869017 704774674 /nfs/dbraw/zinc/77/46/74/704774674.db2.gz XUWHVNMRWCSICD-JSGCOSHPSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2cnns2)CC1 ZINC000997869017 704774676 /nfs/dbraw/zinc/77/46/76/704774676.db2.gz XUWHVNMRWCSICD-JSGCOSHPSA-N 2 1 337.493 1.207 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCOC2CCC2)CC1 ZINC000997869206 704775135 /nfs/dbraw/zinc/77/51/35/704775135.db2.gz ZQNLYNCAYUOJNI-DOTOQJQBSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@H]1C[N@H+](Cc2cncc(F)c2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944918 704797949 /nfs/dbraw/zinc/79/79/49/704797949.db2.gz OJXQIYNTSDNMCN-WMLDXEAASA-N 2 1 334.439 1.643 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944918 704797950 /nfs/dbraw/zinc/79/79/50/704797950.db2.gz OJXQIYNTSDNMCN-WMLDXEAASA-N 2 1 334.439 1.643 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@@H]2CCCCO2)CC[N@H+]1C ZINC001032588516 705143660 /nfs/dbraw/zinc/14/36/60/705143660.db2.gz GAFLOJFVEXOSLL-ATIWLJMLSA-N 2 1 335.492 1.571 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCCCO2)CC[NH+]1C ZINC001032588516 705143663 /nfs/dbraw/zinc/14/36/63/705143663.db2.gz GAFLOJFVEXOSLL-ATIWLJMLSA-N 2 1 335.492 1.571 20 0 EDADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CCCCO2)CC[NH+]1C ZINC001032588516 705143667 /nfs/dbraw/zinc/14/36/67/705143667.db2.gz GAFLOJFVEXOSLL-ATIWLJMLSA-N 2 1 335.492 1.571 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000998045479 705241109 /nfs/dbraw/zinc/24/11/09/705241109.db2.gz KPYSPAITYPRXLZ-IXDOHACOSA-N 2 1 341.496 1.055 20 0 EDADMP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000998045479 705241113 /nfs/dbraw/zinc/24/11/13/705241113.db2.gz KPYSPAITYPRXLZ-IXDOHACOSA-N 2 1 341.496 1.055 20 0 EDADMP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CCC[NH+](CCOC)CC1 ZINC000998045479 705241117 /nfs/dbraw/zinc/24/11/17/705241117.db2.gz KPYSPAITYPRXLZ-IXDOHACOSA-N 2 1 341.496 1.055 20 0 EDADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CCC[NH+](CCOC)CC1 ZINC000998045479 705241118 /nfs/dbraw/zinc/24/11/18/705241118.db2.gz KPYSPAITYPRXLZ-IXDOHACOSA-N 2 1 341.496 1.055 20 0 EDADMP Cn1nccc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000998080895 705300406 /nfs/dbraw/zinc/30/04/06/705300406.db2.gz FKUKCVSIBMQTJI-UHFFFAOYSA-N 2 1 347.507 1.480 20 0 EDADMP Cc1ccnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000998084087 705314109 /nfs/dbraw/zinc/31/41/09/705314109.db2.gz ZIQPVWNZRHLHIX-YOEHRIQHSA-N 2 1 345.491 1.311 20 0 EDADMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@H]2CCCCO2)CC1 ZINC001032602869 705406420 /nfs/dbraw/zinc/40/64/20/705406420.db2.gz FPMNEOOEMXAUET-OKZBNKHCSA-N 2 1 335.492 1.573 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2nc(C)no2)CC1 ZINC000998189110 705494352 /nfs/dbraw/zinc/49/43/52/705494352.db2.gz LQFWRXAMMKQDIF-JKSUJKDBSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](Cc2nc(C)no2)CC1 ZINC000998189110 705494356 /nfs/dbraw/zinc/49/43/56/705494356.db2.gz LQFWRXAMMKQDIF-JKSUJKDBSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](Cc2nc(C)no2)CC1 ZINC000998189110 705494359 /nfs/dbraw/zinc/49/43/59/705494359.db2.gz LQFWRXAMMKQDIF-JKSUJKDBSA-N 2 1 349.479 1.533 20 0 EDADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](Cc2nc(C)no2)CC1 ZINC000998189110 705494363 /nfs/dbraw/zinc/49/43/63/705494363.db2.gz LQFWRXAMMKQDIF-JKSUJKDBSA-N 2 1 349.479 1.533 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998215617 705536796 /nfs/dbraw/zinc/53/67/96/705536796.db2.gz CJFRROWSSNKWFD-MRXNPFEDSA-N 2 1 334.464 1.653 20 0 EDADMP COc1nscc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998547838 705980441 /nfs/dbraw/zinc/98/04/41/705980441.db2.gz BAFFFSWZSAPXNU-JXQTWKCFSA-N 2 1 338.477 1.325 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2cnc(Cl)s2)C1 ZINC000998548301 705984094 /nfs/dbraw/zinc/98/40/94/705984094.db2.gz GCUVQEYZGRSUQG-GCZXYKMCSA-N 2 1 342.896 1.970 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nc3c(o2)CCCC3)C1 ZINC000998548930 705984798 /nfs/dbraw/zinc/98/47/98/705984798.db2.gz IWTOULKYJXAAKT-XUJLQICISA-N 2 1 346.475 1.727 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nc3c(o2)CCCC3)C1 ZINC000998548930 705984801 /nfs/dbraw/zinc/98/48/01/705984801.db2.gz IWTOULKYJXAAKT-XUJLQICISA-N 2 1 346.475 1.727 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2noc3c2CCCC3)C1 ZINC000998718016 706149906 /nfs/dbraw/zinc/14/99/06/706149906.db2.gz AFVOXDGBPYFNTM-RHSMWYFYSA-N 2 1 346.475 1.728 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2noc3c2CCCC3)C1 ZINC000998718016 706149908 /nfs/dbraw/zinc/14/99/08/706149908.db2.gz AFVOXDGBPYFNTM-RHSMWYFYSA-N 2 1 346.475 1.728 20 0 EDADMP CN(C)c1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000998718967 706150902 /nfs/dbraw/zinc/15/09/02/706150902.db2.gz DJSXALLMSHWAPM-HKUYNNGSSA-N 2 1 344.503 1.927 20 0 EDADMP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c(C)n1 ZINC000998719568 706151357 /nfs/dbraw/zinc/15/13/57/706151357.db2.gz GUZXIAJLJZZLEK-ZWKOTPCHSA-N 2 1 330.476 1.873 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000998731564 706164185 /nfs/dbraw/zinc/16/41/85/706164185.db2.gz OLDWPTNXEFUVKW-CRAIPNDOSA-N 2 1 345.491 1.394 20 0 EDADMP CN(C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)C1CC([NH2+]CC2CC2)C1 ZINC000998804284 706232876 /nfs/dbraw/zinc/23/28/76/706232876.db2.gz HYYMGSXVHHIKIV-MQBCKMQZSA-N 2 1 331.464 1.779 20 0 EDADMP CN(C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)C1CC([NH2+]CC2CC2)C1 ZINC000998804284 706232879 /nfs/dbraw/zinc/23/28/79/706232879.db2.gz HYYMGSXVHHIKIV-MQBCKMQZSA-N 2 1 331.464 1.779 20 0 EDADMP Cc1cc(C)cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998810675 706254018 /nfs/dbraw/zinc/25/40/18/706254018.db2.gz GAYJVGKOUYBIHC-MOPGFXCFSA-N 2 1 345.487 1.715 20 0 EDADMP Cc1cc(C)cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998810675 706254020 /nfs/dbraw/zinc/25/40/20/706254020.db2.gz GAYJVGKOUYBIHC-MOPGFXCFSA-N 2 1 345.487 1.715 20 0 EDADMP Cc1ccc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998811410 706254868 /nfs/dbraw/zinc/25/48/68/706254868.db2.gz JZFXUXULNLMEGV-RBUKOAKNSA-N 2 1 345.487 1.715 20 0 EDADMP Cc1ccc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998811410 706254870 /nfs/dbraw/zinc/25/48/70/706254870.db2.gz JZFXUXULNLMEGV-RBUKOAKNSA-N 2 1 345.487 1.715 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCc3cccs3)C2)C1 ZINC000998828135 706258556 /nfs/dbraw/zinc/25/85/56/706258556.db2.gz SIAXVDVQZMFQAR-GOEBONIOSA-N 2 1 337.489 1.202 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCc3cccs3)C2)C1 ZINC000998828135 706258560 /nfs/dbraw/zinc/25/85/60/706258560.db2.gz SIAXVDVQZMFQAR-GOEBONIOSA-N 2 1 337.489 1.202 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nocc2C)C1 ZINC000998866470 706295938 /nfs/dbraw/zinc/29/59/38/706295938.db2.gz JWCURURXVQOLPU-VMBOVVBDSA-N 2 1 334.464 1.936 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998868321 706297687 /nfs/dbraw/zinc/29/76/87/706297687.db2.gz WUNLKHAYKZVJRI-JCYILVPMSA-N 2 1 333.480 1.374 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC(NCc2nnc(C3CC3)o2)C1 ZINC000998995425 706412631 /nfs/dbraw/zinc/41/26/31/706412631.db2.gz SDFHBITXCITNCY-NRXISQOPSA-N 2 1 347.463 1.510 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000998995425 706412640 /nfs/dbraw/zinc/41/26/40/706412640.db2.gz SDFHBITXCITNCY-NRXISQOPSA-N 2 1 347.463 1.510 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]CC[C@H]2CCCCO2)C1 ZINC000999122821 706547894 /nfs/dbraw/zinc/54/78/94/706547894.db2.gz AELFNZYMVJJDOO-OFLPRAFFSA-N 2 1 334.464 1.730 20 0 EDADMP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000999144748 706558828 /nfs/dbraw/zinc/55/88/28/706558828.db2.gz NMDUWQSVOQKDCH-QZTJIDSGSA-N 2 1 347.507 1.856 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC000999355863 706845935 /nfs/dbraw/zinc/84/59/35/706845935.db2.gz YHFYDBPBKDESTM-DLBZAZTESA-N 2 1 347.507 1.764 20 0 EDADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000999352913 706865874 /nfs/dbraw/zinc/86/58/74/706865874.db2.gz LEFBAKLOKKKCEM-DLBZAZTESA-N 2 1 333.480 1.194 20 0 EDADMP Cn1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)cn1 ZINC000999372925 706867691 /nfs/dbraw/zinc/86/76/91/706867691.db2.gz PJNDPEYIEAWWJS-JKSUJKDBSA-N 2 1 342.447 1.275 20 0 EDADMP CCOC1CC(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000999373762 706868512 /nfs/dbraw/zinc/86/85/12/706868512.db2.gz HTHDVNFWJOQPTL-UPTPFMHGSA-N 2 1 337.508 1.866 20 0 EDADMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC000999364327 706878222 /nfs/dbraw/zinc/87/82/22/706878222.db2.gz MBIQMRUQBLONMF-HNNXBMFYSA-N 2 1 347.463 1.050 20 0 EDADMP CCn1c(C)nnc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999402102 706910100 /nfs/dbraw/zinc/91/01/00/706910100.db2.gz DJDWCHVVOQGJGN-JEYLPNPQSA-N 2 1 348.495 1.027 20 0 EDADMP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC000999402090 706910381 /nfs/dbraw/zinc/91/03/81/706910381.db2.gz DHWHEBXDWCQKRF-RWBZWWBESA-N 2 1 330.476 1.811 20 0 EDADMP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)cn1 ZINC000999405235 706914285 /nfs/dbraw/zinc/91/42/85/706914285.db2.gz DIZDZYCGKKFGME-FAEJEUNOSA-N 2 1 347.507 1.509 20 0 EDADMP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC000999409101 706918778 /nfs/dbraw/zinc/91/87/78/706918778.db2.gz OIJQKFGTYLRFGA-KTAKPFMOSA-N 2 1 331.464 1.206 20 0 EDADMP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)no1 ZINC000999481173 706990065 /nfs/dbraw/zinc/99/00/65/706990065.db2.gz COQDGUNXGSPRBW-MRXNPFEDSA-N 2 1 346.475 1.940 20 0 EDADMP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999512414 707011169 /nfs/dbraw/zinc/01/11/69/707011169.db2.gz PPHRNNDTLPRIPU-QZTJIDSGSA-N 2 1 347.507 1.565 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000999514052 707012858 /nfs/dbraw/zinc/01/28/58/707012858.db2.gz UEBUUTHGCRGRHH-ROUUACIJSA-N 2 1 337.508 1.868 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC(NCc2nnc(C3CC3)o2)C1 ZINC000999682297 707167825 /nfs/dbraw/zinc/16/78/25/707167825.db2.gz NOXVWRGRIRRXOC-GRTSSRMGSA-N 2 1 347.463 1.368 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999682297 707167827 /nfs/dbraw/zinc/16/78/27/707167827.db2.gz NOXVWRGRIRRXOC-GRTSSRMGSA-N 2 1 347.463 1.368 20 0 EDADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999682297 707167828 /nfs/dbraw/zinc/16/78/28/707167828.db2.gz NOXVWRGRIRRXOC-GRTSSRMGSA-N 2 1 347.463 1.368 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001033264850 707286833 /nfs/dbraw/zinc/28/68/33/707286833.db2.gz DOJGKUZPYIAWQG-JKSUJKDBSA-N 2 1 334.464 1.539 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001033264850 707286837 /nfs/dbraw/zinc/28/68/37/707286837.db2.gz DOJGKUZPYIAWQG-JKSUJKDBSA-N 2 1 334.464 1.539 20 0 EDADMP CCOC1CC(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cncc3C)C2)C1 ZINC001033265680 707289827 /nfs/dbraw/zinc/28/98/27/707289827.db2.gz IHRBZOBNYSDZDT-CGZBRXJRSA-N 2 1 334.464 1.539 20 0 EDADMP CCOC1CC(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001033265680 707289831 /nfs/dbraw/zinc/28/98/31/707289831.db2.gz IHRBZOBNYSDZDT-CGZBRXJRSA-N 2 1 334.464 1.539 20 0 EDADMP CCOC1CC(C[N@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001033265680 707289834 /nfs/dbraw/zinc/28/98/34/707289834.db2.gz IHRBZOBNYSDZDT-CGZBRXJRSA-N 2 1 334.464 1.539 20 0 EDADMP CC[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1)OC ZINC001033269697 707316822 /nfs/dbraw/zinc/31/68/22/707316822.db2.gz UGSDPZWAXWPBKE-HZPDHXFCSA-N 2 1 348.491 1.720 20 0 EDADMP CC[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1)OC ZINC001033269697 707316828 /nfs/dbraw/zinc/31/68/28/707316828.db2.gz UGSDPZWAXWPBKE-HZPDHXFCSA-N 2 1 348.491 1.720 20 0 EDADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000999764393 707318889 /nfs/dbraw/zinc/31/88/89/707318889.db2.gz JQTDSUOZPHIFJI-ISXWCOSWSA-N 2 1 333.476 1.230 20 0 EDADMP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033276280 707340483 /nfs/dbraw/zinc/34/04/83/707340483.db2.gz BVZYHLGMUDXRGO-VIHIWDAPSA-N 2 1 333.476 1.182 20 0 EDADMP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001033276280 707340486 /nfs/dbraw/zinc/34/04/86/707340486.db2.gz BVZYHLGMUDXRGO-VIHIWDAPSA-N 2 1 333.476 1.182 20 0 EDADMP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001033276280 707340489 /nfs/dbraw/zinc/34/04/89/707340489.db2.gz BVZYHLGMUDXRGO-VIHIWDAPSA-N 2 1 333.476 1.182 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001033182687 707357541 /nfs/dbraw/zinc/35/75/41/707357541.db2.gz QVBACTYAACABQZ-ZWKOTPCHSA-N 2 1 349.519 1.822 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)s1 ZINC000999828878 707456996 /nfs/dbraw/zinc/45/69/96/707456996.db2.gz GWOVIJGTYPWETM-HIFPTAJRSA-N 2 1 337.493 1.131 20 0 EDADMP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)s1 ZINC000999828878 707457000 /nfs/dbraw/zinc/45/70/00/707457000.db2.gz GWOVIJGTYPWETM-HIFPTAJRSA-N 2 1 337.493 1.131 20 0 EDADMP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)n1 ZINC000999832249 707462690 /nfs/dbraw/zinc/46/26/90/707462690.db2.gz BDSIGINRMTWQEJ-UHFFFAOYSA-N 2 1 335.452 1.197 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)cn2)C1 ZINC000999875864 707522472 /nfs/dbraw/zinc/52/24/72/707522472.db2.gz BYMZOKXPKXCENL-VJFUWPCTSA-N 2 1 345.491 1.738 20 0 EDADMP C[C@@H](NCc1ncnn1C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004875740 707541891 /nfs/dbraw/zinc/54/18/91/707541891.db2.gz HAPWTFZJASHLLQ-GDBMZVCRSA-N 2 1 348.495 1.159 20 0 EDADMP C[C@@H]([NH2+]Cc1ncnn1C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004875740 707541899 /nfs/dbraw/zinc/54/18/99/707541899.db2.gz HAPWTFZJASHLLQ-GDBMZVCRSA-N 2 1 348.495 1.159 20 0 EDADMP O=C([C@@H]1CCC[C@H]2CCC[NH+]21)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946818127 707574404 /nfs/dbraw/zinc/57/44/04/707574404.db2.gz FEMXQBGKTMPAML-RDGPPVDQSA-N 2 1 349.519 1.556 20 0 EDADMP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946818127 707574406 /nfs/dbraw/zinc/57/44/06/707574406.db2.gz FEMXQBGKTMPAML-RDGPPVDQSA-N 2 1 349.519 1.556 20 0 EDADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946818127 707574409 /nfs/dbraw/zinc/57/44/09/707574409.db2.gz FEMXQBGKTMPAML-RDGPPVDQSA-N 2 1 349.519 1.556 20 0 EDADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nncn3C)C2)C1 ZINC000999974922 707588595 /nfs/dbraw/zinc/58/85/95/707588595.db2.gz QBLMUKURJLPVFD-CVEARBPZSA-N 2 1 348.495 1.018 20 0 EDADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nncn3C)C2)C1 ZINC000999974922 707588600 /nfs/dbraw/zinc/58/86/00/707588600.db2.gz QBLMUKURJLPVFD-CVEARBPZSA-N 2 1 348.495 1.018 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CCC3CC3)C2)nn1 ZINC000999964242 707629764 /nfs/dbraw/zinc/62/97/64/707629764.db2.gz WWXIGQLPDPMTHX-SJORKVTESA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CCC3CC3)C2)nn1 ZINC000999964242 707629768 /nfs/dbraw/zinc/62/97/68/707629768.db2.gz WWXIGQLPDPMTHX-SJORKVTESA-N 2 1 346.479 1.035 20 0 EDADMP C[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CCC3CC3)C2)nn1 ZINC000999964242 707629775 /nfs/dbraw/zinc/62/97/75/707629775.db2.gz WWXIGQLPDPMTHX-SJORKVTESA-N 2 1 346.479 1.035 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033359685 707685935 /nfs/dbraw/zinc/68/59/35/707685935.db2.gz AYUFIHUSBMEPKN-ZVZYQTTQSA-N 2 1 347.507 1.492 20 0 EDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033359685 707685940 /nfs/dbraw/zinc/68/59/40/707685940.db2.gz AYUFIHUSBMEPKN-ZVZYQTTQSA-N 2 1 347.507 1.492 20 0 EDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033359685 707685946 /nfs/dbraw/zinc/68/59/46/707685946.db2.gz AYUFIHUSBMEPKN-ZVZYQTTQSA-N 2 1 347.507 1.492 20 0 EDADMP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001032725720 707712959 /nfs/dbraw/zinc/71/29/59/707712959.db2.gz YOLADWIACCRCKG-WBAXXEDZSA-N 2 1 335.492 1.428 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033392073 707725444 /nfs/dbraw/zinc/72/54/44/707725444.db2.gz YLIKNPNJTTVBMH-INIZCTEOSA-N 2 1 348.491 1.920 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCCCO1)C12CC[NH+](CC1)C2 ZINC001032733576 707741414 /nfs/dbraw/zinc/74/14/14/707741414.db2.gz BAOQJOBAJKKJEW-YESZJQIVSA-N 2 1 333.476 1.327 20 0 EDADMP Cc1ccc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001032733727 707741478 /nfs/dbraw/zinc/74/14/78/707741478.db2.gz IFLARVABRQOGCZ-OALUTQOASA-N 2 1 339.483 1.918 20 0 EDADMP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCC(F)(F)C1)C12CC[NH+](CC1)C2 ZINC001032733865 707748313 /nfs/dbraw/zinc/74/83/13/707748313.db2.gz KBFNQCCKANDJCB-ILXRZTDVSA-N 2 1 339.430 1.803 20 0 EDADMP C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423998 707841355 /nfs/dbraw/zinc/84/13/55/707841355.db2.gz WHAIMIJWQXRALX-QAPCUYQASA-N 2 1 333.476 1.318 20 0 EDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC001033229608 707884476 /nfs/dbraw/zinc/88/44/76/707884476.db2.gz UHXYAUSASMSIDO-INIZCTEOSA-N 2 1 346.475 1.953 20 0 EDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC001033229608 707884479 /nfs/dbraw/zinc/88/44/79/707884479.db2.gz UHXYAUSASMSIDO-INIZCTEOSA-N 2 1 346.475 1.953 20 0 EDADMP Cc1ccc(OCCN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001032781508 707968872 /nfs/dbraw/zinc/96/88/72/707968872.db2.gz YABVZSUWWMTZDH-BZSNNMDCSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1ccc(OCC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001032781508 707968873 /nfs/dbraw/zinc/96/88/73/707968873.db2.gz YABVZSUWWMTZDH-BZSNNMDCSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1ccc(OCC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001032781508 707968874 /nfs/dbraw/zinc/96/88/74/707968874.db2.gz YABVZSUWWMTZDH-BZSNNMDCSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1ccc(OCC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC001032781508 707968876 /nfs/dbraw/zinc/96/88/76/707968876.db2.gz YABVZSUWWMTZDH-BZSNNMDCSA-N 2 1 343.471 1.611 20 0 EDADMP Cc1ccc(OCC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC001032781508 707968878 /nfs/dbraw/zinc/96/88/78/707968878.db2.gz YABVZSUWWMTZDH-BZSNNMDCSA-N 2 1 343.471 1.611 20 0 EDADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C/C=C\c2ccccc2)C1 ZINC001032781748 707970141 /nfs/dbraw/zinc/97/01/41/707970141.db2.gz HPDMNFJRQWHBAK-NZGJBRLESA-N 2 1 325.456 1.937 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C/C=C\c2ccccc2)C1 ZINC001032781748 707970142 /nfs/dbraw/zinc/97/01/42/707970142.db2.gz HPDMNFJRQWHBAK-NZGJBRLESA-N 2 1 325.456 1.937 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C\c2ccccc2)C1 ZINC001032781748 707970144 /nfs/dbraw/zinc/97/01/44/707970144.db2.gz HPDMNFJRQWHBAK-NZGJBRLESA-N 2 1 325.456 1.937 20 0 EDADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C\c2ccccc2)C1 ZINC001032781748 707970146 /nfs/dbraw/zinc/97/01/46/707970146.db2.gz HPDMNFJRQWHBAK-NZGJBRLESA-N 2 1 325.456 1.937 20 0 EDADMP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490561 707985276 /nfs/dbraw/zinc/98/52/76/707985276.db2.gz UKYDTBOTFVIDBN-KRWDZBQOSA-N 2 1 335.496 1.637 20 0 EDADMP CO[C@@H](C)C[N@@H+]1CC=C(CNC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001000845243 708072643 /nfs/dbraw/zinc/07/26/43/708072643.db2.gz SHTNKNVEARAJKK-ZDUSSCGKSA-N 2 1 328.416 1.960 20 0 EDADMP COCC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001145463 708107125 /nfs/dbraw/zinc/10/71/25/708107125.db2.gz RXBPHBNDMSAQER-INIZCTEOSA-N 2 1 332.448 1.149 20 0 EDADMP COCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001145463 708107127 /nfs/dbraw/zinc/10/71/27/708107127.db2.gz RXBPHBNDMSAQER-INIZCTEOSA-N 2 1 332.448 1.149 20 0 EDADMP Cc1noc(C)c1C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001153617 708108199 /nfs/dbraw/zinc/10/81/99/708108199.db2.gz XMEUVCWUTFQISG-GUYCJALGSA-N 2 1 346.475 1.737 20 0 EDADMP Cc1noc(C)c1C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001153617 708108203 /nfs/dbraw/zinc/10/82/03/708108203.db2.gz XMEUVCWUTFQISG-GUYCJALGSA-N 2 1 346.475 1.737 20 0 EDADMP Cc1noc(C)c1C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001153617 708108207 /nfs/dbraw/zinc/10/82/07/708108207.db2.gz XMEUVCWUTFQISG-GUYCJALGSA-N 2 1 346.475 1.737 20 0 EDADMP CO[C@@H](C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1)C1CCC1 ZINC001005184566 708111365 /nfs/dbraw/zinc/11/13/65/708111365.db2.gz ODHMVITXZZRLDK-MSOLQXFVSA-N 2 1 337.508 1.819 20 0 EDADMP COc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccn1 ZINC001005179928 708122671 /nfs/dbraw/zinc/12/26/71/708122671.db2.gz PBZRLFMLUZBJPB-KRWDZBQOSA-N 2 1 346.475 1.607 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033531171 708154402 /nfs/dbraw/zinc/15/44/02/708154402.db2.gz KSSYCSUZXFEYBA-MRXNPFEDSA-N 2 1 334.464 1.748 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033531171 708154403 /nfs/dbraw/zinc/15/44/03/708154403.db2.gz KSSYCSUZXFEYBA-MRXNPFEDSA-N 2 1 334.464 1.748 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccn3)C2)CC1 ZINC001033534481 708171375 /nfs/dbraw/zinc/17/13/75/708171375.db2.gz PVVFSRRYHOWHIF-GOSISDBHSA-N 2 1 330.476 1.846 20 0 EDADMP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccn3)C2)CC1 ZINC001033534481 708171376 /nfs/dbraw/zinc/17/13/76/708171376.db2.gz PVVFSRRYHOWHIF-GOSISDBHSA-N 2 1 330.476 1.846 20 0 EDADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001033548662 708180298 /nfs/dbraw/zinc/18/02/98/708180298.db2.gz SLUMAAAKTJYHBR-AEFFLSMTSA-N 2 1 337.508 1.676 20 0 EDADMP COc1ccnc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001033592493 708291113 /nfs/dbraw/zinc/29/11/13/708291113.db2.gz HTJLFLRIYDPVCG-INIZCTEOSA-N 2 1 344.459 1.219 20 0 EDADMP COc1ccnc(C[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001033592493 708291114 /nfs/dbraw/zinc/29/11/14/708291114.db2.gz HTJLFLRIYDPVCG-INIZCTEOSA-N 2 1 344.459 1.219 20 0 EDADMP Cc1nccnc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033593494 708292968 /nfs/dbraw/zinc/29/29/68/708292968.db2.gz HNEKXOWCGMTJHB-HZPDHXFCSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033593494 708292970 /nfs/dbraw/zinc/29/29/70/708292970.db2.gz HNEKXOWCGMTJHB-HZPDHXFCSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033593494 708292971 /nfs/dbraw/zinc/29/29/71/708292971.db2.gz HNEKXOWCGMTJHB-HZPDHXFCSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1nccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033593494 708292972 /nfs/dbraw/zinc/29/29/72/708292972.db2.gz HNEKXOWCGMTJHB-HZPDHXFCSA-N 2 1 331.464 1.160 20 0 EDADMP Cc1conc1C[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001795098 708310071 /nfs/dbraw/zinc/31/00/71/708310071.db2.gz PGHWMXMZGKBNLR-UHFFFAOYSA-N 2 1 334.464 1.653 20 0 EDADMP CCCc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001033664492 708446553 /nfs/dbraw/zinc/44/65/53/708446553.db2.gz HGHTYFUTUFKUMU-CVEARBPZSA-N 2 1 348.491 1.920 20 0 EDADMP CCCc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001033664492 708446555 /nfs/dbraw/zinc/44/65/55/708446555.db2.gz HGHTYFUTUFKUMU-CVEARBPZSA-N 2 1 348.491 1.920 20 0 EDADMP CCCc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001033664492 708446557 /nfs/dbraw/zinc/44/65/57/708446557.db2.gz HGHTYFUTUFKUMU-CVEARBPZSA-N 2 1 348.491 1.920 20 0 EDADMP CCCc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001033664492 708446558 /nfs/dbraw/zinc/44/65/58/708446558.db2.gz HGHTYFUTUFKUMU-CVEARBPZSA-N 2 1 348.491 1.920 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)ccn1 ZINC001033664886 708446888 /nfs/dbraw/zinc/44/68/88/708446888.db2.gz JUVNCWBGOBRXHN-CVEARBPZSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)ccn1 ZINC001033664886 708446889 /nfs/dbraw/zinc/44/68/89/708446889.db2.gz JUVNCWBGOBRXHN-CVEARBPZSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)ccn1 ZINC001033664886 708446890 /nfs/dbraw/zinc/44/68/90/708446890.db2.gz JUVNCWBGOBRXHN-CVEARBPZSA-N 2 1 332.448 1.075 20 0 EDADMP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC001033664886 708446891 /nfs/dbraw/zinc/44/68/91/708446891.db2.gz JUVNCWBGOBRXHN-CVEARBPZSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ccc(F)cc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033663252 708480077 /nfs/dbraw/zinc/48/00/77/708480077.db2.gz UYPDAELMVJEAFV-PBHICJAKSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(F)cc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033663252 708480079 /nfs/dbraw/zinc/48/00/79/708480079.db2.gz UYPDAELMVJEAFV-PBHICJAKSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(F)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033663252 708480081 /nfs/dbraw/zinc/48/00/81/708480081.db2.gz UYPDAELMVJEAFV-PBHICJAKSA-N 2 1 349.450 1.819 20 0 EDADMP COc1ccc(F)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033663252 708480083 /nfs/dbraw/zinc/48/00/83/708480083.db2.gz UYPDAELMVJEAFV-PBHICJAKSA-N 2 1 349.450 1.819 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001033679362 708489510 /nfs/dbraw/zinc/48/95/10/708489510.db2.gz KZKHQEYIPNMKKH-ZWKOTPCHSA-N 2 1 335.492 1.740 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001033679362 708489512 /nfs/dbraw/zinc/48/95/12/708489512.db2.gz KZKHQEYIPNMKKH-ZWKOTPCHSA-N 2 1 335.492 1.740 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001033679362 708489514 /nfs/dbraw/zinc/48/95/14/708489514.db2.gz KZKHQEYIPNMKKH-ZWKOTPCHSA-N 2 1 335.492 1.740 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001033679362 708489517 /nfs/dbraw/zinc/48/95/17/708489517.db2.gz KZKHQEYIPNMKKH-ZWKOTPCHSA-N 2 1 335.492 1.740 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC001033681066 708492418 /nfs/dbraw/zinc/49/24/18/708492418.db2.gz RFQAFNIZUAQNHA-RTBURBONSA-N 2 1 345.487 1.748 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC001033681066 708492421 /nfs/dbraw/zinc/49/24/21/708492421.db2.gz RFQAFNIZUAQNHA-RTBURBONSA-N 2 1 345.487 1.748 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC001033681066 708492424 /nfs/dbraw/zinc/49/24/24/708492424.db2.gz RFQAFNIZUAQNHA-RTBURBONSA-N 2 1 345.487 1.748 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC001033681066 708492427 /nfs/dbraw/zinc/49/24/27/708492427.db2.gz RFQAFNIZUAQNHA-RTBURBONSA-N 2 1 345.487 1.748 20 0 EDADMP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685396 708499208 /nfs/dbraw/zinc/49/92/08/708499208.db2.gz SQAIWOIYFNZGPX-PBHICJAKSA-N 2 1 346.475 1.029 20 0 EDADMP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685396 708499210 /nfs/dbraw/zinc/49/92/10/708499210.db2.gz SQAIWOIYFNZGPX-PBHICJAKSA-N 2 1 346.475 1.029 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033690078 708519858 /nfs/dbraw/zinc/51/98/58/708519858.db2.gz PDSZQJOWWZCDAI-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033690078 708519860 /nfs/dbraw/zinc/51/98/60/708519860.db2.gz PDSZQJOWWZCDAI-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033690078 708519862 /nfs/dbraw/zinc/51/98/62/708519862.db2.gz PDSZQJOWWZCDAI-QZTJIDSGSA-N 2 1 337.508 1.820 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](CCCO)CC1 ZINC001002038232 708559500 /nfs/dbraw/zinc/55/95/00/708559500.db2.gz UZILPZITIBJAPP-SFHVURJKSA-N 2 1 339.524 1.852 20 0 EDADMP CC[C@@H](C[NH+]1CCC(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1)OC ZINC001002090762 708598563 /nfs/dbraw/zinc/59/85/63/708598563.db2.gz VLSUSFLCQPMZHF-HKUYNNGSSA-N 2 1 337.508 1.726 20 0 EDADMP CCC(CC)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001002137892 708622209 /nfs/dbraw/zinc/62/22/09/708622209.db2.gz DQYKRKFZWBCELL-GOSISDBHSA-N 2 1 339.524 1.972 20 0 EDADMP CCC(CC)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002137892 708622212 /nfs/dbraw/zinc/62/22/12/708622212.db2.gz DQYKRKFZWBCELL-GOSISDBHSA-N 2 1 339.524 1.972 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC001002128822 708645443 /nfs/dbraw/zinc/64/54/43/708645443.db2.gz ZQQUHLBFSSNZMB-SJORKVTESA-N 2 1 337.508 1.581 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCc2cnn(CC)c2)C1 ZINC001033773968 708672818 /nfs/dbraw/zinc/67/28/18/708672818.db2.gz IJDIBFJRVWYRKH-ROUUACIJSA-N 2 1 347.507 1.463 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001033773968 708672819 /nfs/dbraw/zinc/67/28/19/708672819.db2.gz IJDIBFJRVWYRKH-ROUUACIJSA-N 2 1 347.507 1.463 20 0 EDADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001033773968 708672820 /nfs/dbraw/zinc/67/28/20/708672820.db2.gz IJDIBFJRVWYRKH-ROUUACIJSA-N 2 1 347.507 1.463 20 0 EDADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCCc2nc(C)no2)C1 ZINC001033775268 708675590 /nfs/dbraw/zinc/67/55/90/708675590.db2.gz MFDKLIVXLVMMHR-JKSUJKDBSA-N 2 1 349.479 1.328 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCCc2nc(C)no2)C1 ZINC001033775268 708675593 /nfs/dbraw/zinc/67/55/93/708675593.db2.gz MFDKLIVXLVMMHR-JKSUJKDBSA-N 2 1 349.479 1.328 20 0 EDADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCCc2nc(C)no2)C1 ZINC001033775268 708675596 /nfs/dbraw/zinc/67/55/96/708675596.db2.gz MFDKLIVXLVMMHR-JKSUJKDBSA-N 2 1 349.479 1.328 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001002139542 708676617 /nfs/dbraw/zinc/67/66/17/708676617.db2.gz XPAKNVOAFCDGPO-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001002139542 708676619 /nfs/dbraw/zinc/67/66/19/708676619.db2.gz XPAKNVOAFCDGPO-GOSISDBHSA-N 2 1 337.508 1.726 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001005384660 708822406 /nfs/dbraw/zinc/82/24/06/708822406.db2.gz NGLXJTFODSGTRI-SJLPKXTDSA-N 2 1 337.508 1.819 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC[NH+](CCCF)CC1 ZINC001005424473 708942409 /nfs/dbraw/zinc/94/24/09/708942409.db2.gz JTZORCVJHMZNMT-HZPDHXFCSA-N 2 1 327.444 1.132 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC001002472519 709005732 /nfs/dbraw/zinc/00/57/32/709005732.db2.gz BKXGRETUMDMRHD-OAHLLOKOSA-N 2 1 339.871 1.211 20 0 EDADMP Cc1cccc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC001002532105 709089738 /nfs/dbraw/zinc/08/97/38/709089738.db2.gz GSFHRUJKIKATCF-APWZRJJASA-N 2 1 345.487 1.967 20 0 EDADMP Cc1cccc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC001002532105 709089740 /nfs/dbraw/zinc/08/97/40/709089740.db2.gz GSFHRUJKIKATCF-APWZRJJASA-N 2 1 345.487 1.967 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001002536503 709093794 /nfs/dbraw/zinc/09/37/94/709093794.db2.gz RQLRKYSGWRFEJV-GOSISDBHSA-N 2 1 335.492 1.788 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001002536503 709093798 /nfs/dbraw/zinc/09/37/98/709093798.db2.gz RQLRKYSGWRFEJV-GOSISDBHSA-N 2 1 335.492 1.788 20 0 EDADMP CC1CCC(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001002536622 709094221 /nfs/dbraw/zinc/09/42/21/709094221.db2.gz TXFVNAMOHLTUAX-LEOMRAHMSA-N 2 1 337.508 1.724 20 0 EDADMP CC1CCC(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001002536622 709094223 /nfs/dbraw/zinc/09/42/23/709094223.db2.gz TXFVNAMOHLTUAX-LEOMRAHMSA-N 2 1 337.508 1.724 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001033940898 709146845 /nfs/dbraw/zinc/14/68/45/709146845.db2.gz KSGCVBZDWJFMGH-QGZVFWFLSA-N 2 1 334.464 1.748 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001033940898 709146846 /nfs/dbraw/zinc/14/68/46/709146846.db2.gz KSGCVBZDWJFMGH-QGZVFWFLSA-N 2 1 334.464 1.748 20 0 EDADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033990875 709197965 /nfs/dbraw/zinc/19/79/65/709197965.db2.gz ZDNBXTNYNMKMAS-GOSISDBHSA-N 2 1 333.476 1.667 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC001034018434 709235642 /nfs/dbraw/zinc/23/56/42/709235642.db2.gz ZHPFWTWOSORVCI-QZTJIDSGSA-N 2 1 349.519 1.820 20 0 EDADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000702139209 709339527 /nfs/dbraw/zinc/33/95/27/709339527.db2.gz FXOIAIMSNRYZOB-QZTJIDSGSA-N 2 1 330.476 1.046 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000702139209 709339528 /nfs/dbraw/zinc/33/95/28/709339528.db2.gz FXOIAIMSNRYZOB-QZTJIDSGSA-N 2 1 330.476 1.046 20 0 EDADMP Cc1nocc1CN1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002793594 709401721 /nfs/dbraw/zinc/40/17/21/709401721.db2.gz XDGBAJMKWSVKJW-QGZVFWFLSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001002793594 709401723 /nfs/dbraw/zinc/40/17/23/709401723.db2.gz XDGBAJMKWSVKJW-QGZVFWFLSA-N 2 1 334.464 1.936 20 0 EDADMP Cc1nocc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002793594 709401725 /nfs/dbraw/zinc/40/17/25/709401725.db2.gz XDGBAJMKWSVKJW-QGZVFWFLSA-N 2 1 334.464 1.936 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001032828378 709452547 /nfs/dbraw/zinc/45/25/47/709452547.db2.gz QWOJMLFOJYPRHF-BBWFWOEESA-N 2 1 335.423 1.144 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001032828378 709452548 /nfs/dbraw/zinc/45/25/48/709452548.db2.gz QWOJMLFOJYPRHF-BBWFWOEESA-N 2 1 335.423 1.144 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001032828378 709452549 /nfs/dbraw/zinc/45/25/49/709452549.db2.gz QWOJMLFOJYPRHF-BBWFWOEESA-N 2 1 335.423 1.144 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1)C1CCCC1 ZINC001032829786 709460305 /nfs/dbraw/zinc/46/03/05/709460305.db2.gz QRHSVJMPSSYYLV-OKZBNKHCSA-N 2 1 337.508 1.866 20 0 EDADMP CO[C@H](C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C1CCCC1 ZINC001032829786 709460307 /nfs/dbraw/zinc/46/03/07/709460307.db2.gz QRHSVJMPSSYYLV-OKZBNKHCSA-N 2 1 337.508 1.866 20 0 EDADMP CO[C@H](C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)C1CCCC1 ZINC001032829786 709460308 /nfs/dbraw/zinc/46/03/08/709460308.db2.gz QRHSVJMPSSYYLV-OKZBNKHCSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3ccc(CO)cc3)CC2)CC[N@H+]1C ZINC001002852626 709462896 /nfs/dbraw/zinc/46/28/96/709462896.db2.gz RLGKNUDKENVNRL-DNVCBOLYSA-N 2 1 345.487 1.600 20 0 EDADMP O=C(NC1CC[NH+](C/C=C/Cl)CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001002875779 709483051 /nfs/dbraw/zinc/48/30/51/709483051.db2.gz QZKAVCAKBHTCON-BRSDGGEWSA-N 2 1 327.856 1.183 20 0 EDADMP Cc1ncoc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034209745 709559309 /nfs/dbraw/zinc/55/93/09/709559309.db2.gz DGQBTDKOHAVGGD-IAGOWNOFSA-N 2 1 346.475 1.796 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CCOC2CCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034210293 709559879 /nfs/dbraw/zinc/55/98/79/709559879.db2.gz GKBLXAAFHGKZIF-MJGOQNOKSA-N 2 1 349.519 1.868 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cncn2C)C1 ZINC001034238157 709618307 /nfs/dbraw/zinc/61/83/07/709618307.db2.gz AOMDNSWPCXULHH-WMZOPIPTSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cncn2C)C1 ZINC001034238157 709618309 /nfs/dbraw/zinc/61/83/09/709618309.db2.gz AOMDNSWPCXULHH-WMZOPIPTSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cncn2C)C1 ZINC001034238157 709618312 /nfs/dbraw/zinc/61/83/12/709618312.db2.gz AOMDNSWPCXULHH-WMZOPIPTSA-N 2 1 347.507 1.765 20 0 EDADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cncn2C)C1 ZINC001034238157 709618315 /nfs/dbraw/zinc/61/83/15/709618315.db2.gz AOMDNSWPCXULHH-WMZOPIPTSA-N 2 1 347.507 1.765 20 0 EDADMP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CCCC[N@@H+](CCO)C1 ZINC001034330269 709784652 /nfs/dbraw/zinc/78/46/52/709784652.db2.gz LSLQVNAMMVROCV-QGZVFWFLSA-N 2 1 333.476 1.367 20 0 EDADMP Cc1nccnc1C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034375709 709869536 /nfs/dbraw/zinc/86/95/36/709869536.db2.gz FAWAMXHSIQKCTN-KRWDZBQOSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034375709 709869539 /nfs/dbraw/zinc/86/95/39/709869539.db2.gz FAWAMXHSIQKCTN-KRWDZBQOSA-N 2 1 345.491 1.598 20 0 EDADMP Cc1nccnc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034400945 709945427 /nfs/dbraw/zinc/94/54/27/709945427.db2.gz YVHOCUVKOYEDKP-NVXWUHKLSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1nccnc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034400945 709945429 /nfs/dbraw/zinc/94/54/29/709945429.db2.gz YVHOCUVKOYEDKP-NVXWUHKLSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1nccnc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034400945 709945432 /nfs/dbraw/zinc/94/54/32/709945432.db2.gz YVHOCUVKOYEDKP-NVXWUHKLSA-N 2 1 345.491 1.740 20 0 EDADMP Cc1nccnc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034400945 709945434 /nfs/dbraw/zinc/94/54/34/709945434.db2.gz YVHOCUVKOYEDKP-NVXWUHKLSA-N 2 1 345.491 1.740 20 0 EDADMP Cn1cc(C[N@H+]2CCCC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001034430481 709997265 /nfs/dbraw/zinc/99/72/65/709997265.db2.gz FXQNLAHHTMZEOQ-GOSISDBHSA-N 2 1 347.507 1.623 20 0 EDADMP C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468679 710038468 /nfs/dbraw/zinc/03/84/68/710038468.db2.gz SMTRZOCMMIDUIF-GOEBONIOSA-N 2 1 343.431 1.232 20 0 EDADMP C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468679 710038472 /nfs/dbraw/zinc/03/84/72/710038472.db2.gz SMTRZOCMMIDUIF-GOEBONIOSA-N 2 1 343.431 1.232 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001034524245 710173451 /nfs/dbraw/zinc/17/34/51/710173451.db2.gz FDGPKINESQKHNJ-YOEHRIQHSA-N 2 1 334.439 1.643 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001034524245 710173452 /nfs/dbraw/zinc/17/34/52/710173452.db2.gz FDGPKINESQKHNJ-YOEHRIQHSA-N 2 1 334.439 1.643 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccc(F)cn3)C2)C1 ZINC001034524245 710173454 /nfs/dbraw/zinc/17/34/54/710173454.db2.gz FDGPKINESQKHNJ-YOEHRIQHSA-N 2 1 334.439 1.643 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccc(F)cn3)C2)C1 ZINC001034524245 710173455 /nfs/dbraw/zinc/17/34/55/710173455.db2.gz FDGPKINESQKHNJ-YOEHRIQHSA-N 2 1 334.439 1.643 20 0 EDADMP Cc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034526115 710177413 /nfs/dbraw/zinc/17/74/13/710177413.db2.gz ULLBEWBFHQANFW-MSOLQXFVSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ncccc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034526115 710177417 /nfs/dbraw/zinc/17/74/17/710177417.db2.gz ULLBEWBFHQANFW-MSOLQXFVSA-N 2 1 330.476 1.812 20 0 EDADMP Cc1ncccc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034526115 710177420 /nfs/dbraw/zinc/17/74/20/710177420.db2.gz ULLBEWBFHQANFW-MSOLQXFVSA-N 2 1 330.476 1.812 20 0 EDADMP CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000922161403 710221478 /nfs/dbraw/zinc/22/14/78/710221478.db2.gz AQOJFBCCBLWDGW-GOSISDBHSA-N 2 1 330.476 1.258 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1)C1CCC1 ZINC001032840117 710289240 /nfs/dbraw/zinc/28/92/40/710289240.db2.gz SXZVQKQHBMOKEA-DZJNRPSUSA-N 2 1 337.508 1.722 20 0 EDADMP CO[C@H](C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C1CCC1 ZINC001032840117 710289242 /nfs/dbraw/zinc/28/92/42/710289242.db2.gz SXZVQKQHBMOKEA-DZJNRPSUSA-N 2 1 337.508 1.722 20 0 EDADMP CO[C@H](C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C1CCC1 ZINC001032840117 710289245 /nfs/dbraw/zinc/28/92/45/710289245.db2.gz SXZVQKQHBMOKEA-DZJNRPSUSA-N 2 1 337.508 1.722 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)C1CCN(Cc2csc(C)n2)CC1 ZINC000922163069 710303037 /nfs/dbraw/zinc/30/30/37/710303037.db2.gz KFMKUDIWNAKJLE-INIZCTEOSA-N 2 1 336.505 1.874 20 0 EDADMP CCN1CC[C@H]1CNC(=O)C1CCN(Cc2csc(C)n2)CC1 ZINC000922163069 710303039 /nfs/dbraw/zinc/30/30/39/710303039.db2.gz KFMKUDIWNAKJLE-INIZCTEOSA-N 2 1 336.505 1.874 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034647588 710324316 /nfs/dbraw/zinc/32/43/16/710324316.db2.gz MSKMRCFZRIKZLF-VDHUWJSZSA-N 2 1 347.507 1.586 20 0 EDADMP O=C(N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034648001 710324701 /nfs/dbraw/zinc/32/47/01/710324701.db2.gz DYUNAZKQKDKUPI-DZKIICNBSA-N 2 1 349.504 1.397 20 0 EDADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000922189696 710391204 /nfs/dbraw/zinc/39/12/04/710391204.db2.gz BOYYAMPDQAWUDN-ZWKOTPCHSA-N 2 1 346.475 1.281 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000922189696 710391208 /nfs/dbraw/zinc/39/12/08/710391208.db2.gz BOYYAMPDQAWUDN-ZWKOTPCHSA-N 2 1 346.475 1.281 20 0 EDADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000922189696 710391209 /nfs/dbraw/zinc/39/12/09/710391209.db2.gz BOYYAMPDQAWUDN-ZWKOTPCHSA-N 2 1 346.475 1.281 20 0 EDADMP Cc1cncc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)c1 ZINC001003624084 710453537 /nfs/dbraw/zinc/45/35/37/710453537.db2.gz LAMKUCAPAXTNEW-INIZCTEOSA-N 2 1 330.476 1.955 20 0 EDADMP COc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)ccn1 ZINC001003626420 710455473 /nfs/dbraw/zinc/45/54/73/710455473.db2.gz OEHWPGSWIVAFRN-OAHLLOKOSA-N 2 1 346.475 1.513 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001003627596 710457871 /nfs/dbraw/zinc/45/78/71/710457871.db2.gz HEVAWEYNKSGISS-CABCVRRESA-N 2 1 331.464 1.603 20 0 EDADMP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003627596 710457874 /nfs/dbraw/zinc/45/78/74/710457874.db2.gz HEVAWEYNKSGISS-CABCVRRESA-N 2 1 331.464 1.603 20 0 EDADMP CCn1cc(CC[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC001003632798 710461222 /nfs/dbraw/zinc/46/12/22/710461222.db2.gz CIXQUAKKURLQFE-QAPCUYQASA-N 2 1 347.507 1.224 20 0 EDADMP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001003776022 710545041 /nfs/dbraw/zinc/54/50/41/710545041.db2.gz GDNXSRQCKFNPEU-ROUUACIJSA-N 2 1 345.491 1.481 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001034674819 710625426 /nfs/dbraw/zinc/62/54/26/710625426.db2.gz SKGJOHVGYXXYOF-KZNAEPCWSA-N 2 1 345.491 1.786 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1)c1nncn1C ZINC001034733473 710913927 /nfs/dbraw/zinc/91/39/27/710913927.db2.gz CSRHBEUMOMFGJM-FZKCQIBNSA-N 2 1 348.495 1.235 20 0 EDADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1)c1nncn1C ZINC001034733474 710913943 /nfs/dbraw/zinc/91/39/43/710913943.db2.gz CSRHBEUMOMFGJM-KLHDSHLOSA-N 2 1 348.495 1.235 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC001034735369 710920512 /nfs/dbraw/zinc/92/05/12/710920512.db2.gz GAPAOXHCEVLRFF-QEJZJMRPSA-N 2 1 335.452 1.379 20 0 EDADMP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC001034735369 710920514 /nfs/dbraw/zinc/92/05/14/710920514.db2.gz GAPAOXHCEVLRFF-QEJZJMRPSA-N 2 1 335.452 1.379 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC001034736797 710924144 /nfs/dbraw/zinc/92/41/44/710924144.db2.gz DAYILIPBTDSRHO-QEWYBTABSA-N 2 1 334.464 1.698 20 0 EDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001032958516 710951864 /nfs/dbraw/zinc/95/18/64/710951864.db2.gz BIFNNWQNOCMYAO-IRXDYDNUSA-N 2 1 333.480 1.127 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001032958516 710951865 /nfs/dbraw/zinc/95/18/65/710951865.db2.gz BIFNNWQNOCMYAO-IRXDYDNUSA-N 2 1 333.480 1.127 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001032958516 710951866 /nfs/dbraw/zinc/95/18/66/710951866.db2.gz BIFNNWQNOCMYAO-IRXDYDNUSA-N 2 1 333.480 1.127 20 0 EDADMP Cn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001034775571 711049294 /nfs/dbraw/zinc/04/92/94/711049294.db2.gz DFIVJXBKUNQAGU-KBAYOESNSA-N 2 1 347.507 1.321 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2nncn2C)CC1 ZINC001034794468 711110569 /nfs/dbraw/zinc/11/05/69/711110569.db2.gz JQPWUFBXTAISII-BPLDGKMQSA-N 2 1 345.451 1.098 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ncccn2)CC1 ZINC001034794621 711111376 /nfs/dbraw/zinc/11/13/76/711111376.db2.gz LDNDUVUFUBURJU-BPUTZDHNSA-N 2 1 342.447 1.760 20 0 EDADMP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001034795232 711112881 /nfs/dbraw/zinc/11/28/81/711112881.db2.gz XFUCLNVNCBPSHA-SHTZXODSSA-N 2 1 331.420 1.705 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C)o2)CC1 ZINC001034795446 711113627 /nfs/dbraw/zinc/11/36/27/711113627.db2.gz FKZQAABAWXQAEL-BZUAXINKSA-N 2 1 349.479 1.769 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C)o2)CC1 ZINC001034795446 711113631 /nfs/dbraw/zinc/11/36/31/711113631.db2.gz FKZQAABAWXQAEL-BZUAXINKSA-N 2 1 349.479 1.769 20 0 EDADMP Cc1cccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034791960 711117573 /nfs/dbraw/zinc/11/75/73/711117573.db2.gz ZXWQRTRHFNFLTJ-BRWVUGGUSA-N 2 1 330.476 1.859 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3cc(C4CC4)no3)CC2)C1 ZINC001003976865 711147709 /nfs/dbraw/zinc/14/77/09/711147709.db2.gz SJBXJTUAIQXHBE-CQSZACIVSA-N 2 1 346.475 1.974 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3cc(C4CC4)no3)CC2)C1 ZINC001003976865 711147712 /nfs/dbraw/zinc/14/77/12/711147712.db2.gz SJBXJTUAIQXHBE-CQSZACIVSA-N 2 1 346.475 1.974 20 0 EDADMP Cc1cc(N2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC001061367092 711161432 /nfs/dbraw/zinc/16/14/32/711161432.db2.gz WFSQYXNLGQWWNJ-INIZCTEOSA-N 2 1 331.464 1.520 20 0 EDADMP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnns2)cc1 ZINC001034810810 711172154 /nfs/dbraw/zinc/17/21/54/711172154.db2.gz KVEDOEKEIHDOIQ-MRXNPFEDSA-N 2 1 345.472 1.538 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnns2)cc1 ZINC001034810810 711172157 /nfs/dbraw/zinc/17/21/57/711172157.db2.gz KVEDOEKEIHDOIQ-MRXNPFEDSA-N 2 1 345.472 1.538 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCc2ccc(CNCc3nncs3)cc2)C1 ZINC001034831313 711237544 /nfs/dbraw/zinc/23/75/44/711237544.db2.gz PFYJDVHQPHGVHN-HNNXBMFYSA-N 2 1 345.472 1.396 20 0 EDADMP Cc1conc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001034933851 711358938 /nfs/dbraw/zinc/35/89/38/711358938.db2.gz AXYWOHGNMICFJA-WBVHZDCISA-N 2 1 334.464 1.936 20 0 EDADMP Cc1conc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001034933851 711358945 /nfs/dbraw/zinc/35/89/45/711358945.db2.gz AXYWOHGNMICFJA-WBVHZDCISA-N 2 1 334.464 1.936 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cncn1C ZINC001034935617 711362854 /nfs/dbraw/zinc/36/28/54/711362854.db2.gz AJQJUHYBFXDQDD-NVXWUHKLSA-N 2 1 333.480 1.374 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ocnc1C ZINC001034955028 711421755 /nfs/dbraw/zinc/42/17/55/711421755.db2.gz YGNQJDNGRCEOBY-CVEARBPZSA-N 2 1 334.464 1.938 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)C2 ZINC000922388809 711432565 /nfs/dbraw/zinc/43/25/65/711432565.db2.gz RLJDQIHAJVBMSF-VXNCWWDNSA-N 2 1 331.460 1.355 20 0 EDADMP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCc3[nH+]ccn32)o1 ZINC001034958800 711432608 /nfs/dbraw/zinc/43/26/08/711432608.db2.gz MCSKVGKRXDQCPA-ZBFHGGJFSA-N 2 1 343.431 1.838 20 0 EDADMP CCc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)o1 ZINC001034940810 711444536 /nfs/dbraw/zinc/44/45/36/711444536.db2.gz INSMJJBTFWZGEP-WBVHZDCISA-N 2 1 346.475 1.659 20 0 EDADMP COCc1nc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cs1 ZINC000922387046 711450272 /nfs/dbraw/zinc/45/02/72/711450272.db2.gz JOZYAKCOGZXYSM-MUIFIZLQSA-N 2 1 339.505 1.859 20 0 EDADMP COCc1nc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cs1 ZINC000922387046 711450275 /nfs/dbraw/zinc/45/02/75/711450275.db2.gz JOZYAKCOGZXYSM-MUIFIZLQSA-N 2 1 339.505 1.859 20 0 EDADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)[C@@H]1C(C)C ZINC000922394346 711460658 /nfs/dbraw/zinc/46/06/58/711460658.db2.gz VOARBEKYTLLVBZ-FTEYMNFISA-N 2 1 345.487 1.745 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2C[C@@]3(C[N@H+](CC)[C@@H]3C(C)C)C[C@H]2O)n1 ZINC000922395597 711469109 /nfs/dbraw/zinc/46/91/09/711469109.db2.gz UFPQLWYSQGHXQT-DDBAPUKQSA-N 2 1 335.496 1.566 20 0 EDADMP CCn1nc(C)c(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@H]2O)n1 ZINC000922395597 711469111 /nfs/dbraw/zinc/46/91/11/711469111.db2.gz UFPQLWYSQGHXQT-DDBAPUKQSA-N 2 1 335.496 1.566 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CCN(Cc3cc(F)cc(F)c3)CC2)C1 ZINC001004144989 711553701 /nfs/dbraw/zinc/55/37/01/711553701.db2.gz RZKLFUQVPHNSNL-AWEZNQCLSA-N 2 1 337.414 1.997 20 0 EDADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(F)cc(F)c3)CC2)C1 ZINC001004144989 711553703 /nfs/dbraw/zinc/55/37/03/711553703.db2.gz RZKLFUQVPHNSNL-AWEZNQCLSA-N 2 1 337.414 1.997 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(F)cc(F)c3)CC2)C1 ZINC001004144989 711553704 /nfs/dbraw/zinc/55/37/04/711553704.db2.gz RZKLFUQVPHNSNL-AWEZNQCLSA-N 2 1 337.414 1.997 20 0 EDADMP CO[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001004149174 711562978 /nfs/dbraw/zinc/56/29/78/711562978.db2.gz FRHJXXYTYVRQPP-HKUYNNGSSA-N 2 1 345.487 1.906 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCC3CCCC3)CC2)C1 ZINC001004177888 711632476 /nfs/dbraw/zinc/63/24/76/711632476.db2.gz DTUNSFKVSHENGH-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCC3CCCC3)CC2)C1 ZINC001004177888 711632478 /nfs/dbraw/zinc/63/24/78/711632478.db2.gz DTUNSFKVSHENGH-SFHVURJKSA-N 2 1 337.508 1.868 20 0 EDADMP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033121839 711849226 /nfs/dbraw/zinc/84/92/26/711849226.db2.gz IFCGKZGRNLCUCR-UKRRQHHQSA-N 2 1 339.505 1.991 20 0 EDADMP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033121839 711849228 /nfs/dbraw/zinc/84/92/28/711849228.db2.gz IFCGKZGRNLCUCR-UKRRQHHQSA-N 2 1 339.505 1.991 20 0 EDADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([C@H]2CCC[NH+]2CCCO)CC1 ZINC001004549484 711960457 /nfs/dbraw/zinc/96/04/57/711960457.db2.gz ZKHHNGDYEPAJCI-SJLPKXTDSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004549484 711960458 /nfs/dbraw/zinc/96/04/58/711960458.db2.gz ZKHHNGDYEPAJCI-SJLPKXTDSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004549484 711960459 /nfs/dbraw/zinc/96/04/59/711960459.db2.gz ZKHHNGDYEPAJCI-SJLPKXTDSA-N 2 1 337.508 1.556 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC([C@H]2CCC[N@H+]2CCF)CC1 ZINC001004578405 712009468 /nfs/dbraw/zinc/00/94/68/712009468.db2.gz VNMFAJBVFWLAQL-QGZVFWFLSA-N 2 1 341.471 1.381 20 0 EDADMP O=C(CC[NH+]1CCOCC1)N1CCC([C@H]2CCC[N@@H+]2CCF)CC1 ZINC001004578405 712009470 /nfs/dbraw/zinc/00/94/70/712009470.db2.gz VNMFAJBVFWLAQL-QGZVFWFLSA-N 2 1 341.471 1.381 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCN(Cc2ccon2)C1 ZINC001033146155 712010326 /nfs/dbraw/zinc/01/03/26/712010326.db2.gz OBAJWACMRBWYEP-IAGOWNOFSA-N 2 1 334.464 1.970 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cncn3C)C[C@H]2CC1)[NH+](C)C ZINC000946642442 712128187 /nfs/dbraw/zinc/12/81/87/712128187.db2.gz JNKPZTCTWKFXEB-SOLBZPMBSA-N 2 1 347.507 1.431 20 0 EDADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1)[NH+](C)C ZINC000946643036 712130151 /nfs/dbraw/zinc/13/01/51/712130151.db2.gz ZDUGAVJCNXOOGG-WNRNVDISSA-N 2 1 337.508 1.534 20 0 EDADMP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946662975 712291821 /nfs/dbraw/zinc/29/18/21/712291821.db2.gz TZZBPRGRPQFQML-ZACQAIPSSA-N 2 1 335.492 1.166 20 0 EDADMP Cn1cc(N2CCC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C2=O)cn1 ZINC000173778347 231031158 /nfs/dbraw/zinc/03/11/58/231031158.db2.gz UCSZHEDDSCLEKA-HOTGVXAUSA-N 2 1 335.496 1.872 20 0 EDADMP Cc1ncc(C[NH2+]C[C@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)cn1 ZINC000354936374 282153934 /nfs/dbraw/zinc/15/39/34/282153934.db2.gz WPZZISOCBWNHQY-HUUCEWRRSA-N 2 1 345.426 1.348 20 0 EDADMP CCC(CC)[C@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000356750044 282255629 /nfs/dbraw/zinc/25/56/29/282255629.db2.gz ZIAPVZVQBBSYIR-DOTOQJQBSA-N 2 1 327.513 1.968 20 0 EDADMP CCC(CC)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000356750044 282255631 /nfs/dbraw/zinc/25/56/31/282255631.db2.gz ZIAPVZVQBBSYIR-DOTOQJQBSA-N 2 1 327.513 1.968 20 0 EDADMP CCC(CC)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH+]1CCOCC1 ZINC000122136378 282275331 /nfs/dbraw/zinc/27/53/31/282275331.db2.gz SPXOQHKGFLKRGW-DLBZAZTESA-N 2 1 327.513 1.826 20 0 EDADMP CC[C@@H](C(=O)N1CCN(c2ncc[nH]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000560418575 306267992 /nfs/dbraw/zinc/26/79/92/306267992.db2.gz YWLQVPURNXXTPB-KRWDZBQOSA-N 2 1 341.459 1.969 20 0 EDADMP CC[C@@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000560418575 306267994 /nfs/dbraw/zinc/26/79/94/306267994.db2.gz YWLQVPURNXXTPB-KRWDZBQOSA-N 2 1 341.459 1.969 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCC[N@H+](C)C(C)C)[NH+](C)C ZINC000101975143 219177752 /nfs/dbraw/zinc/17/77/52/219177752.db2.gz PPRZSBFKTZJQAL-MRXNPFEDSA-N 2 1 336.480 1.937 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)[NH+](C)C ZINC000101975143 219177753 /nfs/dbraw/zinc/17/77/53/219177753.db2.gz PPRZSBFKTZJQAL-MRXNPFEDSA-N 2 1 336.480 1.937 20 0 EDADMP C[NH+]1CCCN(Cc2ccc(CN3CCC[N@H+](C)CC3)cc2)CC1 ZINC000560470293 306270218 /nfs/dbraw/zinc/27/02/18/306270218.db2.gz SYPORHMDDBKWEV-UHFFFAOYSA-N 2 1 330.520 1.962 20 0 EDADMP CN1CCC[N@H+](Cc2ccc(CN3CCC[NH+](C)CC3)cc2)CC1 ZINC000560470293 306270221 /nfs/dbraw/zinc/27/02/21/306270221.db2.gz SYPORHMDDBKWEV-UHFFFAOYSA-N 2 1 330.520 1.962 20 0 EDADMP CN1CCC[N@@H+](Cc2ccc(CN3CCC[NH+](C)CC3)cc2)CC1 ZINC000560470293 306270222 /nfs/dbraw/zinc/27/02/22/306270222.db2.gz SYPORHMDDBKWEV-UHFFFAOYSA-N 2 1 330.520 1.962 20 0 EDADMP CN1CCC[NH+](Cc2ccc(CN3CCC[N@H+](C)CC3)cc2)CC1 ZINC000560470293 306270223 /nfs/dbraw/zinc/27/02/23/306270223.db2.gz SYPORHMDDBKWEV-UHFFFAOYSA-N 2 1 330.520 1.962 20 0 EDADMP CN1CCC[NH+](Cc2ccc(CN3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000560470293 306270224 /nfs/dbraw/zinc/27/02/24/306270224.db2.gz SYPORHMDDBKWEV-UHFFFAOYSA-N 2 1 330.520 1.962 20 0 EDADMP O=S(=O)(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)NCc1ccccc1 ZINC000246785082 539655028 /nfs/dbraw/zinc/65/50/28/539655028.db2.gz PIKLMBGHRWKKAS-IRXDYDNUSA-N 2 1 337.489 1.322 20 0 EDADMP O=S(=O)(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)NCc1ccccc1 ZINC000246785082 539655029 /nfs/dbraw/zinc/65/50/29/539655029.db2.gz PIKLMBGHRWKKAS-IRXDYDNUSA-N 2 1 337.489 1.322 20 0 EDADMP CCN1CC[NH+](C[C@H](C)CNC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339274841 539705087 /nfs/dbraw/zinc/70/50/87/539705087.db2.gz JYNVFTKFWAGDKM-QZTJIDSGSA-N 2 1 338.540 1.641 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339274841 539705092 /nfs/dbraw/zinc/70/50/92/539705092.db2.gz JYNVFTKFWAGDKM-QZTJIDSGSA-N 2 1 338.540 1.641 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339274841 539705097 /nfs/dbraw/zinc/70/50/97/539705097.db2.gz JYNVFTKFWAGDKM-QZTJIDSGSA-N 2 1 338.540 1.641 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339275388 539705461 /nfs/dbraw/zinc/70/54/61/539705461.db2.gz RDEKXTWXPCRSAM-MRXNPFEDSA-N 2 1 325.497 1.868 20 0 EDADMP C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)C2)C1 ZINC000561773981 306291049 /nfs/dbraw/zinc/29/10/49/306291049.db2.gz RPNUUWCZVNMSBH-QUCCMNQESA-N 2 1 342.487 1.848 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)C2)C1 ZINC000561773981 306291050 /nfs/dbraw/zinc/29/10/50/306291050.db2.gz RPNUUWCZVNMSBH-QUCCMNQESA-N 2 1 342.487 1.848 20 0 EDADMP C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)C1 ZINC000561773981 306291051 /nfs/dbraw/zinc/29/10/51/306291051.db2.gz RPNUUWCZVNMSBH-QUCCMNQESA-N 2 1 342.487 1.848 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000562751375 306307950 /nfs/dbraw/zinc/30/79/50/306307950.db2.gz OIXBBMYBJNNHSM-ZWKOTPCHSA-N 2 1 344.459 1.415 20 0 EDADMP O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000562794263 306309303 /nfs/dbraw/zinc/30/93/03/306309303.db2.gz DQVRXTHGCPDOJU-FUHWJXTLSA-N 2 1 330.476 1.950 20 0 EDADMP CC1=CC[N@@H+](CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000562806952 306309718 /nfs/dbraw/zinc/30/97/18/306309718.db2.gz PIWIQVFRTLOECH-GOSISDBHSA-N 2 1 328.460 1.825 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)[C@@H]2C1 ZINC000563390153 306331522 /nfs/dbraw/zinc/33/15/22/306331522.db2.gz OKUVJPUWFHNOGO-DJIMGWMZSA-N 2 1 337.533 1.757 20 0 EDADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CCOC)[C@@H](C)C1 ZINC000360796706 283182444 /nfs/dbraw/zinc/18/24/44/283182444.db2.gz HNKCYFZFYHJJCD-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CCOC)[C@@H](C)C1 ZINC000360796706 283182445 /nfs/dbraw/zinc/18/24/45/283182445.db2.gz HNKCYFZFYHJJCD-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000360796706 283182447 /nfs/dbraw/zinc/18/24/47/283182447.db2.gz HNKCYFZFYHJJCD-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000360796706 283182449 /nfs/dbraw/zinc/18/24/49/283182449.db2.gz HNKCYFZFYHJJCD-HOTGVXAUSA-N 2 1 328.501 1.469 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000563559307 306338915 /nfs/dbraw/zinc/33/89/15/306338915.db2.gz UYRXBMAXVPEDIF-YLFCFFPRSA-N 2 1 338.496 1.112 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)(C)C[NH+](C)C ZINC000081732338 138267642 /nfs/dbraw/zinc/26/76/42/138267642.db2.gz LNJHCACJVFNRAJ-WMZOPIPTSA-N 2 1 347.503 1.980 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(C)(C)C[NH+](C)C ZINC000081732338 138267643 /nfs/dbraw/zinc/26/76/43/138267643.db2.gz LNJHCACJVFNRAJ-WMZOPIPTSA-N 2 1 347.503 1.980 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](C(=O)NC)C2)CC1 ZINC000093361106 138293206 /nfs/dbraw/zinc/29/32/06/138293206.db2.gz YUTWTBACTZPKBY-SFHVURJKSA-N 2 1 344.503 1.787 20 0 EDADMP CN(CCC[N@@H+](C)C[C@H]1CN(c2ccccc2)CCO1)CC[NH+](C)C ZINC000563969193 306353803 /nfs/dbraw/zinc/35/38/03/306353803.db2.gz MAFQUBOSNREGJQ-FQEVSTJZSA-N 2 1 348.535 1.707 20 0 EDADMP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000564845334 306366942 /nfs/dbraw/zinc/36/69/42/306366942.db2.gz WMHHNIZEHPCNKO-GOSISDBHSA-N 2 1 332.444 1.845 20 0 EDADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC000564978551 306371818 /nfs/dbraw/zinc/37/18/18/306371818.db2.gz NIZCOKIRUDVQEG-RBUKOAKNSA-N 2 1 336.476 1.247 20 0 EDADMP Cc1ccccc1CN(C)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129796678 223092948 /nfs/dbraw/zinc/09/29/48/223092948.db2.gz KOUWHCRQGUEKFZ-UHFFFAOYSA-N 2 1 346.519 1.523 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000073291257 216374219 /nfs/dbraw/zinc/37/42/19/216374219.db2.gz GRHBBGYQRAWVRW-KRWDZBQOSA-N 2 1 346.519 1.894 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)c1ccccc1 ZINC000565890223 306394079 /nfs/dbraw/zinc/39/40/79/306394079.db2.gz NDFAFSMYGDZXIR-SQNIBIBYSA-N 2 1 331.460 1.516 20 0 EDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000132572255 223343984 /nfs/dbraw/zinc/34/39/84/223343984.db2.gz QBUCDLXXOMQPNZ-GFCCVEGCSA-N 2 1 330.396 1.737 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000414839466 304146560 /nfs/dbraw/zinc/14/65/60/304146560.db2.gz XOGJLDAKMHZUHE-INIZCTEOSA-N 2 1 344.459 1.478 20 0 EDADMP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000418758970 284125174 /nfs/dbraw/zinc/12/51/74/284125174.db2.gz KAJIKGBQDWDEOW-BPLDGKMQSA-N 2 1 342.434 1.642 20 0 EDADMP CCOc1cc(C[NH2+]C[C@H]([NH3+])CC)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414987856 304148270 /nfs/dbraw/zinc/14/82/70/304148270.db2.gz ZGKJZGLMQQXYPE-DZGCQCFKSA-N 2 1 337.464 1.768 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000415029522 304152594 /nfs/dbraw/zinc/15/25/94/304152594.db2.gz DROQYXNEQRVJCD-RDJZCZTQSA-N 2 1 344.459 1.287 20 0 EDADMP COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)C[C@@H]3CCC[NH2+]3)C2=O)cc1 ZINC000415074819 304157619 /nfs/dbraw/zinc/15/76/19/304157619.db2.gz AIOTVKSLJWVPOZ-ZVZYQTTQSA-N 2 1 331.460 1.916 20 0 EDADMP COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000184594191 284234799 /nfs/dbraw/zinc/23/47/99/284234799.db2.gz GBAPTBDRUJIMHE-LPHOPBHVSA-N 2 1 347.459 1.291 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000415138074 304163602 /nfs/dbraw/zinc/16/36/02/304163602.db2.gz GKYUEXVDVVFYPO-PBHICJAKSA-N 2 1 344.459 1.430 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000415142688 304164006 /nfs/dbraw/zinc/16/40/06/304164006.db2.gz RKHMTCCOWXONMO-INIZCTEOSA-N 2 1 344.459 1.430 20 0 EDADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000415142053 304163850 /nfs/dbraw/zinc/16/38/50/304163850.db2.gz QQGJQCVWFBEMKQ-MSOLQXFVSA-N 2 1 328.460 1.715 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)[C@@H](C)C1 ZINC000415157695 304167400 /nfs/dbraw/zinc/16/74/00/304167400.db2.gz YGQZJIDXROHRNJ-YOEHRIQHSA-N 2 1 346.475 1.533 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000237210264 139044346 /nfs/dbraw/zinc/04/43/46/139044346.db2.gz TZQSUFIFQMCJEK-SFHVURJKSA-N 2 1 346.475 1.393 20 0 EDADMP COc1ccc([C@@H]2[C@H](CNC(=O)[C@@H]3CC[NH2+]C3)CCC[N@H+]2C)cc1 ZINC000237305224 139047219 /nfs/dbraw/zinc/04/72/19/139047219.db2.gz ZGJMTWZBGVFZBT-LZLYRXPVSA-N 2 1 331.460 1.804 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000237309560 139047336 /nfs/dbraw/zinc/04/73/36/139047336.db2.gz NUZPMYNWVVHJGZ-LBPRGKRZSA-N 2 1 325.403 1.901 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1C ZINC000415171940 304170517 /nfs/dbraw/zinc/17/05/17/304170517.db2.gz NOIOZRZPOXPOFS-MRXNPFEDSA-N 2 1 330.432 1.027 20 0 EDADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1C ZINC000415171940 304170518 /nfs/dbraw/zinc/17/05/18/304170518.db2.gz NOIOZRZPOXPOFS-MRXNPFEDSA-N 2 1 330.432 1.027 20 0 EDADMP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000237900931 139063247 /nfs/dbraw/zinc/06/32/47/139063247.db2.gz FTQHLKNLRJKMEO-OALUTQOASA-N 2 1 345.487 1.926 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CSC[NH2+]1 ZINC000237951935 139064778 /nfs/dbraw/zinc/06/47/78/139064778.db2.gz LUGHUGPASAQTRL-GXTWGEPZSA-N 2 1 325.503 1.739 20 0 EDADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CSC[NH2+]1 ZINC000237951935 139064779 /nfs/dbraw/zinc/06/47/79/139064779.db2.gz LUGHUGPASAQTRL-GXTWGEPZSA-N 2 1 325.503 1.739 20 0 EDADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000238007632 139066296 /nfs/dbraw/zinc/06/62/96/139066296.db2.gz MLNDLPZVXWBQGV-MRXNPFEDSA-N 2 1 327.472 1.908 20 0 EDADMP [NH3+]C[C@@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000238024044 139066822 /nfs/dbraw/zinc/06/68/22/139066822.db2.gz FCFOSNKOQKXGQW-MRXNPFEDSA-N 2 1 329.469 1.965 20 0 EDADMP CC1(C)CC(NC(=O)NCCC[NH+]2CCOCC2)CC(C)(C)[NH2+]1 ZINC000243085140 139070348 /nfs/dbraw/zinc/07/03/48/139070348.db2.gz ITBDLKGMAHOCKH-UHFFFAOYSA-N 2 1 326.485 1.317 20 0 EDADMP C[C@H](C(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245203105 139071208 /nfs/dbraw/zinc/07/12/08/139071208.db2.gz ZLGNDOMJBUZVPG-YYIAUSFCSA-N 2 1 337.508 1.959 20 0 EDADMP C[C@H](C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000245203105 139071209 /nfs/dbraw/zinc/07/12/09/139071209.db2.gz ZLGNDOMJBUZVPG-YYIAUSFCSA-N 2 1 337.508 1.959 20 0 EDADMP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245386628 139071346 /nfs/dbraw/zinc/07/13/46/139071346.db2.gz PGCORZAJVIEWNW-IXDOHACOSA-N 2 1 339.524 1.968 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000245455760 139075703 /nfs/dbraw/zinc/07/57/03/139075703.db2.gz IJBIFNWQKMMWEO-RTBURBONSA-N 2 1 345.487 1.969 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000245455760 139075704 /nfs/dbraw/zinc/07/57/04/139075704.db2.gz IJBIFNWQKMMWEO-RTBURBONSA-N 2 1 345.487 1.969 20 0 EDADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000415253047 304179407 /nfs/dbraw/zinc/17/94/07/304179407.db2.gz GOIVCZHBSYLWNE-UONOGXRCSA-N 2 1 332.448 1.588 20 0 EDADMP CN1CCO[C@H](CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000246558813 139112808 /nfs/dbraw/zinc/11/28/08/139112808.db2.gz YYAMBTNYSSTKJV-ZWKOTPCHSA-N 2 1 346.475 1.281 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000415305584 304190020 /nfs/dbraw/zinc/19/00/20/304190020.db2.gz WRIIWTSZRGBHEK-KRWDZBQOSA-N 2 1 346.475 1.676 20 0 EDADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CCC[C@@H](OCCO)C3)c2cc1C ZINC000246739978 139119694 /nfs/dbraw/zinc/11/96/94/139119694.db2.gz ILHSEXJWWZNEPZ-IAGOWNOFSA-N 2 1 347.459 1.487 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000246827276 139123251 /nfs/dbraw/zinc/12/32/51/139123251.db2.gz AXLITDVVWXVDKH-DOTOQJQBSA-N 2 1 344.459 1.560 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000246827276 139123252 /nfs/dbraw/zinc/12/32/52/139123252.db2.gz AXLITDVVWXVDKH-DOTOQJQBSA-N 2 1 344.459 1.560 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000247311038 139144587 /nfs/dbraw/zinc/14/45/87/139144587.db2.gz QXSSQUQEPBUQLO-RVKKMQEKSA-N 2 1 331.460 1.778 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000247311038 139144588 /nfs/dbraw/zinc/14/45/88/139144588.db2.gz QXSSQUQEPBUQLO-RVKKMQEKSA-N 2 1 331.460 1.778 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000248930813 139180873 /nfs/dbraw/zinc/18/08/73/139180873.db2.gz XTSIOZKTQQOYIG-CRAIPNDOSA-N 2 1 330.476 1.900 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3NC(C)=O)C2)CC1 ZINC000093133294 218195443 /nfs/dbraw/zinc/19/54/43/218195443.db2.gz KCLQTJHHQUFRFN-GOSISDBHSA-N 2 1 330.476 1.857 20 0 EDADMP [NH3+][C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000261627050 139212434 /nfs/dbraw/zinc/21/24/34/139212434.db2.gz CQEMUMDJADBUDT-HKUYNNGSSA-N 2 1 345.487 1.421 20 0 EDADMP Cc1nc[nH]c1CNC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261675879 139216575 /nfs/dbraw/zinc/21/65/75/139216575.db2.gz CXRNRQBGSJMKAP-CQSZACIVSA-N 2 1 337.221 1.971 20 0 EDADMP CCc1cc(N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nc(C)[nH+]1 ZINC000261739524 139222141 /nfs/dbraw/zinc/22/21/41/139222141.db2.gz SQAIDGHLJIJPQP-HOCLYGCPSA-N 2 1 331.464 1.432 20 0 EDADMP CC(C)(CNC(=O)[C@H]([NH3+])C1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000261772368 139224622 /nfs/dbraw/zinc/22/46/22/139224622.db2.gz MJANVEPKAYEPHP-GOSISDBHSA-N 2 1 345.487 1.693 20 0 EDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261831257 139229754 /nfs/dbraw/zinc/22/97/54/139229754.db2.gz YTOSWXAIJWCUQS-IBGZPJMESA-N 2 1 348.466 1.535 20 0 EDADMP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261876679 139233209 /nfs/dbraw/zinc/23/32/09/139233209.db2.gz LYTXZFXIEAYURO-HNNXBMFYSA-N 2 1 336.867 1.566 20 0 EDADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261876679 139233210 /nfs/dbraw/zinc/23/32/10/139233210.db2.gz LYTXZFXIEAYURO-HNNXBMFYSA-N 2 1 336.867 1.566 20 0 EDADMP O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000261939013 139238575 /nfs/dbraw/zinc/23/85/75/139238575.db2.gz ZXCJCIBBUOVJLH-QGZVFWFLSA-N 2 1 331.460 1.890 20 0 EDADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261961608 139240172 /nfs/dbraw/zinc/24/01/72/139240172.db2.gz PQYGXHAMBMXSOD-OTWHNJEPSA-N 2 1 331.460 1.934 20 0 EDADMP O=C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)NCCc1ccccc1 ZINC000261964454 139240367 /nfs/dbraw/zinc/24/03/67/139240367.db2.gz PXUSCWKMWAYFDK-KURKYZTESA-N 2 1 331.460 1.092 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262129583 139253478 /nfs/dbraw/zinc/25/34/78/139253478.db2.gz GKEHTBKEZXIQNX-DLBZAZTESA-N 2 1 337.508 1.855 20 0 EDADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262120550 139252550 /nfs/dbraw/zinc/25/25/50/139252550.db2.gz MCGRTTVGNREPEP-GOSISDBHSA-N 2 1 325.460 1.865 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)c2)CCO1 ZINC000262185241 139258358 /nfs/dbraw/zinc/25/83/58/139258358.db2.gz ZJNXJMOQNOFXIY-OLMNPRSZSA-N 2 1 347.459 1.030 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)c2)CCO1 ZINC000262185241 139258359 /nfs/dbraw/zinc/25/83/59/139258359.db2.gz ZJNXJMOQNOFXIY-OLMNPRSZSA-N 2 1 347.459 1.030 20 0 EDADMP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415790644 251028299 /nfs/dbraw/zinc/02/82/99/251028299.db2.gz QVVQSINCOGDUKR-LLVKDONJSA-N 2 1 326.828 1.194 20 0 EDADMP [NH3+]CCCCNC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000417014760 251132434 /nfs/dbraw/zinc/13/24/34/251132434.db2.gz FWHUOSMPYVKSHT-UHFFFAOYSA-N 2 1 347.507 1.232 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000417587832 251199801 /nfs/dbraw/zinc/19/98/01/251199801.db2.gz SNCQQWCTGZCZRI-HNNXBMFYSA-N 2 1 326.485 1.176 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000417705427 251236397 /nfs/dbraw/zinc/23/63/97/251236397.db2.gz SFRUOVYNRCGMDO-INIZCTEOSA-N 2 1 340.512 1.566 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)CC2)[nH+]c1 ZINC000417724232 251242436 /nfs/dbraw/zinc/24/24/36/251242436.db2.gz DIUSQQOXIFKTKI-LSDHHAIUSA-N 2 1 331.464 1.738 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417723804 251243281 /nfs/dbraw/zinc/24/32/81/251243281.db2.gz CNIWZZSPADGAJX-CVEARBPZSA-N 2 1 333.480 1.186 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000417739504 251250317 /nfs/dbraw/zinc/25/03/17/251250317.db2.gz YLVIIUGCHFELLN-DLBZAZTESA-N 2 1 345.491 1.200 20 0 EDADMP CN(C)c1[nH+]cc(CNC(=O)N(CCC[NH3+])Cc2ccccc2)n1C ZINC000417837317 251292421 /nfs/dbraw/zinc/29/24/21/251292421.db2.gz ICHAGLFIVURODW-UHFFFAOYSA-N 2 1 344.463 1.547 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000417848189 251295693 /nfs/dbraw/zinc/29/56/93/251295693.db2.gz VJSIQFAFSSOZKC-ZFWWWQNUSA-N 2 1 340.418 1.933 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000417848189 251295696 /nfs/dbraw/zinc/29/56/96/251295696.db2.gz VJSIQFAFSSOZKC-ZFWWWQNUSA-N 2 1 340.418 1.933 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2)C1 ZINC000262485631 139281785 /nfs/dbraw/zinc/28/17/85/139281785.db2.gz YNWXJTVDSFKWEV-QGWWYQLQSA-N 2 1 345.487 1.504 20 0 EDADMP C[C@@H](C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)[C@H](C)[NH3+] ZINC000262513138 139283507 /nfs/dbraw/zinc/28/35/07/139283507.db2.gz DXCOVOLGVSLOPG-SOLBZPMBSA-N 2 1 332.492 1.465 20 0 EDADMP C[C@@H](C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)[C@H](C)[NH3+] ZINC000262513138 139283508 /nfs/dbraw/zinc/28/35/08/139283508.db2.gz DXCOVOLGVSLOPG-SOLBZPMBSA-N 2 1 332.492 1.465 20 0 EDADMP C[C@@H](C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)[C@H](C)[NH3+] ZINC000262513138 139283509 /nfs/dbraw/zinc/28/35/09/139283509.db2.gz DXCOVOLGVSLOPG-SOLBZPMBSA-N 2 1 332.492 1.465 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000418132197 251339787 /nfs/dbraw/zinc/33/97/87/251339787.db2.gz DRHKMRUYFAZKBA-QZTJIDSGSA-N 2 1 330.476 1.948 20 0 EDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H](C)[C@@H](C)[NH3+])cc2)CC1 ZINC000262546133 139285607 /nfs/dbraw/zinc/28/56/07/139285607.db2.gz VEPSHAWPQJJSMW-JKSUJKDBSA-N 2 1 332.492 1.424 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000418707885 251390253 /nfs/dbraw/zinc/39/02/53/251390253.db2.gz GRGARJGUYXKEKJ-INIZCTEOSA-N 2 1 334.464 1.650 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418707705 251390496 /nfs/dbraw/zinc/39/04/96/251390496.db2.gz BYVSSBSUZUFJKA-CABCVRRESA-N 2 1 326.485 1.256 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418707705 251390501 /nfs/dbraw/zinc/39/05/01/251390501.db2.gz BYVSSBSUZUFJKA-CABCVRRESA-N 2 1 326.485 1.256 20 0 EDADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000262658711 139293873 /nfs/dbraw/zinc/29/38/73/139293873.db2.gz WAWSENTVISFAGZ-SJORKVTESA-N 2 1 330.476 1.890 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420336767 251681166 /nfs/dbraw/zinc/68/11/66/251681166.db2.gz WGVZKWPIHWYKKH-IAGOWNOFSA-N 3 1 333.476 1.425 20 0 EDADMP COc1ccc([C@H](C[NH3+])CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420336767 251681169 /nfs/dbraw/zinc/68/11/69/251681169.db2.gz WGVZKWPIHWYKKH-IAGOWNOFSA-N 2 1 333.476 1.425 20 0 EDADMP [NH3+]Cc1nc(-c2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)n[nH]1 ZINC000262831758 139306686 /nfs/dbraw/zinc/30/66/86/139306686.db2.gz VDEPHROGUCHSMJ-UHFFFAOYSA-N 2 1 328.420 1.649 20 0 EDADMP C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1CCC[NH2+]1 ZINC000422892928 252013728 /nfs/dbraw/zinc/01/37/28/252013728.db2.gz ZTYOZMSJNVQEAG-ZYSHUDEJSA-N 2 1 344.503 1.614 20 0 EDADMP C[C@@H]([NH3+])[C@H](C)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000423735715 252067661 /nfs/dbraw/zinc/06/76/61/252067661.db2.gz RZCGOBYJOVQLEK-JKSUJKDBSA-N 2 1 334.464 1.116 20 0 EDADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000424025523 252118283 /nfs/dbraw/zinc/11/82/83/252118283.db2.gz ZHBXBTAHOPZMLN-AEFFLSMTSA-N 2 1 344.503 1.484 20 0 EDADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424151490 252145501 /nfs/dbraw/zinc/14/55/01/252145501.db2.gz HPYIGZKZEWCNKB-LSDHHAIUSA-N 2 1 343.435 1.012 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000424162287 252149461 /nfs/dbraw/zinc/14/94/61/252149461.db2.gz ZJQRDDRCIKENKP-MCIONIFRSA-N 2 1 331.464 1.242 20 0 EDADMP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000424163734 252151631 /nfs/dbraw/zinc/15/16/31/252151631.db2.gz XZMRCZJOXVGYGH-JKSUJKDBSA-N 2 1 328.416 1.259 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000424429153 252226529 /nfs/dbraw/zinc/22/65/29/252226529.db2.gz WGYFHPKVUCTAFH-OAHLLOKOSA-N 2 1 333.480 1.601 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424443386 252233211 /nfs/dbraw/zinc/23/32/11/252233211.db2.gz BHKUGBGZIVTOTL-UHFFFAOYSA-N 2 1 343.431 1.446 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C[C@H]1C ZINC000349935324 285043938 /nfs/dbraw/zinc/04/39/38/285043938.db2.gz PSEHWFQLJZOZFE-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C[C@H]1C ZINC000349935324 285043942 /nfs/dbraw/zinc/04/39/42/285043942.db2.gz PSEHWFQLJZOZFE-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1C ZINC000349935324 285043943 /nfs/dbraw/zinc/04/39/43/285043943.db2.gz PSEHWFQLJZOZFE-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP COCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C[C@H]1C ZINC000349935324 285043944 /nfs/dbraw/zinc/04/39/44/285043944.db2.gz PSEHWFQLJZOZFE-CVEARBPZSA-N 2 1 338.496 1.365 20 0 EDADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263200623 139327922 /nfs/dbraw/zinc/32/79/22/139327922.db2.gz IZWOULASHIGFEB-GUYCJALGSA-N 2 1 334.851 1.812 20 0 EDADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263220494 139329125 /nfs/dbraw/zinc/32/91/25/139329125.db2.gz LUAAVBVWBMXREV-MAUKXSAKSA-N 2 1 348.878 1.872 20 0 EDADMP CC[N@H+]1CCC[C@@H](CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000112279893 220283821 /nfs/dbraw/zinc/28/38/21/220283821.db2.gz DQYWPFDNTZXSFV-INIZCTEOSA-N 2 1 345.491 1.295 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)c2C1 ZINC000415683741 304256268 /nfs/dbraw/zinc/25/62/68/304256268.db2.gz DFJHTUGXYBOMFX-IBGZPJMESA-N 2 1 344.459 1.548 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)c2C1 ZINC000415683741 304256270 /nfs/dbraw/zinc/25/62/70/304256270.db2.gz DFJHTUGXYBOMFX-IBGZPJMESA-N 2 1 344.459 1.548 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccnn1C(C)C)C2 ZINC000112539956 220345632 /nfs/dbraw/zinc/34/56/32/220345632.db2.gz OEXJTISBKYGEBS-KGLIPLIRSA-N 2 1 330.436 1.901 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)cc2)C1 ZINC000415733802 304262558 /nfs/dbraw/zinc/26/25/58/304262558.db2.gz IKFZIUZWHNEFEP-CQSZACIVSA-N 2 1 344.459 1.287 20 0 EDADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCc1cccs1 ZINC000263744841 139357229 /nfs/dbraw/zinc/35/72/29/139357229.db2.gz IFOCVULVHIWDLB-UHFFFAOYSA-N 2 1 338.521 1.958 20 0 EDADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCc1cccs1 ZINC000263744841 139357230 /nfs/dbraw/zinc/35/72/30/139357230.db2.gz IFOCVULVHIWDLB-UHFFFAOYSA-N 2 1 338.521 1.958 20 0 EDADMP COCC[N@H+](C)CC[C@@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)c1ccccc1 ZINC000493993238 255230280 /nfs/dbraw/zinc/23/02/80/255230280.db2.gz KBOLWCGPHGSOMM-NXHRZFHOSA-N 2 1 349.475 1.189 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)c1ccccc1 ZINC000493993238 255230281 /nfs/dbraw/zinc/23/02/81/255230281.db2.gz KBOLWCGPHGSOMM-NXHRZFHOSA-N 2 1 349.475 1.189 20 0 EDADMP OCC[C@H]1CCCC[N@H+]1CC1(C[NH+]2CCCC[C@H]2CCO)COC1 ZINC000119390681 221310656 /nfs/dbraw/zinc/31/06/56/221310656.db2.gz BEUMWTBYZCHUIB-HDICACEKSA-N 2 1 340.508 1.477 20 0 EDADMP OCC[C@H]1CCCC[NH+]1CC1(C[N@@H+]2CCCC[C@H]2CCO)COC1 ZINC000119390681 221310661 /nfs/dbraw/zinc/31/06/61/221310661.db2.gz BEUMWTBYZCHUIB-HDICACEKSA-N 2 1 340.508 1.477 20 0 EDADMP OCC[C@H]1CCCC[NH+]1CC1(C[N@H+]2CCCC[C@H]2CCO)COC1 ZINC000119390681 221310665 /nfs/dbraw/zinc/31/06/65/221310665.db2.gz BEUMWTBYZCHUIB-HDICACEKSA-N 2 1 340.508 1.477 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264198378 139386378 /nfs/dbraw/zinc/38/63/78/139386378.db2.gz DRYFGPSJRUMVFO-MJGOQNOKSA-N 2 1 346.519 1.822 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264198378 139386379 /nfs/dbraw/zinc/38/63/79/139386379.db2.gz DRYFGPSJRUMVFO-MJGOQNOKSA-N 2 1 346.519 1.822 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000415930259 304285947 /nfs/dbraw/zinc/28/59/47/304285947.db2.gz ZZPTZRFOAGTVNO-AWEZNQCLSA-N 2 1 334.464 1.715 20 0 EDADMP C[NH+](C)[C@@H](CC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000416237848 304298763 /nfs/dbraw/zinc/29/87/63/304298763.db2.gz CTWXWXKEVVKMFB-KSZLIROESA-N 2 1 331.460 1.611 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000270918022 140198320 /nfs/dbraw/zinc/19/83/20/140198320.db2.gz RHAZJLAZASRGCX-UHFFFAOYSA-N 2 1 331.460 1.279 20 0 EDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271892508 140368091 /nfs/dbraw/zinc/36/80/91/140368091.db2.gz SHTHFYUSOLFKMV-AWEZNQCLSA-N 2 1 337.489 1.849 20 0 EDADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000332931161 141245471 /nfs/dbraw/zinc/24/54/71/141245471.db2.gz VSAOBJSTXVCXBD-OAGGEKHMSA-N 2 1 333.480 1.865 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000332931161 141245472 /nfs/dbraw/zinc/24/54/72/141245472.db2.gz VSAOBJSTXVCXBD-OAGGEKHMSA-N 2 1 333.480 1.865 20 0 EDADMP C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1=CC[N@@H+](C)CC1 ZINC000333672305 141354135 /nfs/dbraw/zinc/35/41/35/141354135.db2.gz YLYJJTLSCRIPHK-FHLIZLRMSA-N 2 1 328.460 1.773 20 0 EDADMP c1[nH+]cn2c1C[C@H](c1nc([C@H]3CN4CCCC[C@H]4CO3)no1)CC2 ZINC000333749422 141372723 /nfs/dbraw/zinc/37/27/23/141372723.db2.gz SQRZCSAYHMSYRU-VNHYZAJKSA-N 2 1 329.404 1.922 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000333802417 141384237 /nfs/dbraw/zinc/38/42/37/141384237.db2.gz IAEJTMLPKSTJGF-LSDHHAIUSA-N 2 1 326.485 1.127 20 0 EDADMP Cc1nocc1C[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000339321356 142014559 /nfs/dbraw/zinc/01/45/59/142014559.db2.gz NJWPOANTHUQZOF-KRWDZBQOSA-N 2 1 330.432 1.362 20 0 EDADMP C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000339550131 142074568 /nfs/dbraw/zinc/07/45/68/142074568.db2.gz ZNPIZJNXQQCAOM-RDJZCZTQSA-N 2 1 334.508 1.844 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000340462619 142399281 /nfs/dbraw/zinc/39/92/81/142399281.db2.gz JPLPNZOXAPJRDB-NSHDSACASA-N 2 1 339.237 1.794 20 0 EDADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000572498268 306591746 /nfs/dbraw/zinc/59/17/46/306591746.db2.gz NIYHLKCWYSOAJD-FUHWJXTLSA-N 2 1 345.491 1.858 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1)[C@H]1CCC[NH2+]1 ZINC000346682755 143231307 /nfs/dbraw/zinc/23/13/07/143231307.db2.gz PNQHVGDLEJIOCT-RHSMWYFYSA-N 2 1 341.459 1.643 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@H]3CC[N@H+](CC)C[C@@H]3C)C2)nc1 ZINC000346835164 143250154 /nfs/dbraw/zinc/25/01/54/143250154.db2.gz OMULUQVMBXHMEB-YOEHRIQHSA-N 2 1 346.475 1.767 20 0 EDADMP CCOC(=O)c1ccc(N2CC([NH2+][C@H]3CC[N@@H+](CC)C[C@@H]3C)C2)nc1 ZINC000346835164 143250155 /nfs/dbraw/zinc/25/01/55/143250155.db2.gz OMULUQVMBXHMEB-YOEHRIQHSA-N 2 1 346.475 1.767 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000347022452 143272603 /nfs/dbraw/zinc/27/26/03/143272603.db2.gz OLLQVIIHJWYLGN-AWEZNQCLSA-N 2 1 345.472 1.492 20 0 EDADMP COc1cc2c(c(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)c1)O[C@@H](C)C2 ZINC000347142642 143287048 /nfs/dbraw/zinc/28/70/48/143287048.db2.gz WYHKZDBJGXVGSE-KBPBESRZSA-N 2 1 347.459 1.306 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000347206071 143294751 /nfs/dbraw/zinc/29/47/51/143294751.db2.gz DZDSDMBJXPGVKQ-RDJZCZTQSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000347206071 143294752 /nfs/dbraw/zinc/29/47/52/143294752.db2.gz DZDSDMBJXPGVKQ-RDJZCZTQSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000347206071 143294753 /nfs/dbraw/zinc/29/47/53/143294753.db2.gz DZDSDMBJXPGVKQ-RDJZCZTQSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(C)C)CC2)[C@H](C)C1 ZINC000347418208 143318761 /nfs/dbraw/zinc/31/87/61/143318761.db2.gz JYJKGZLYHHWKPV-GDBMZVCRSA-N 2 1 331.526 1.509 20 0 EDADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000347490072 143328043 /nfs/dbraw/zinc/32/80/43/143328043.db2.gz BJBYESMBKVVSRL-HUUCEWRRSA-N 2 1 333.480 1.865 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000347490072 143328044 /nfs/dbraw/zinc/32/80/44/143328044.db2.gz BJBYESMBKVVSRL-HUUCEWRRSA-N 2 1 333.480 1.865 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)C(C)C ZINC000347752189 143358205 /nfs/dbraw/zinc/35/82/05/143358205.db2.gz BURRHQDBGXJLJM-JKSUJKDBSA-N 2 1 340.512 1.163 20 0 EDADMP CN(C)c1nc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc[nH+]1 ZINC000347875443 143373462 /nfs/dbraw/zinc/37/34/62/143373462.db2.gz IZFNCJPGSMQTOT-UHFFFAOYSA-N 2 1 332.496 1.397 20 0 EDADMP COCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000347933602 143380933 /nfs/dbraw/zinc/38/09/33/143380933.db2.gz FAIKQQMMAKKHNS-MRXNPFEDSA-N 2 1 335.448 1.690 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000347978996 143386847 /nfs/dbraw/zinc/38/68/47/143386847.db2.gz QOXAYGNZNZXCEX-CVEARBPZSA-N 2 1 340.512 1.163 20 0 EDADMP [NH3+]CC(F)(F)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000416786170 304349263 /nfs/dbraw/zinc/34/92/63/304349263.db2.gz LWEKNKAERYGBQU-AWEZNQCLSA-N 2 1 326.391 1.717 20 0 EDADMP CO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000416842857 304350901 /nfs/dbraw/zinc/35/09/01/304350901.db2.gz NRTVYDBHRGLNRL-KZNAEPCWSA-N 2 1 346.475 1.409 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[NH2+][C@H](C)[C@H]1C)[NH+](C)C ZINC000416859105 304352388 /nfs/dbraw/zinc/35/23/88/304352388.db2.gz ZLNIARCXOYLERP-FMKPAKJESA-N 2 1 334.464 1.690 20 0 EDADMP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000352572316 149068831 /nfs/dbraw/zinc/06/88/31/149068831.db2.gz GNXNFACDDSEPAB-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[NH+]1CCOCC1 ZINC000416960100 304355561 /nfs/dbraw/zinc/35/55/61/304355561.db2.gz QSPRPWISDLILIY-CWRNSKLLSA-N 2 1 326.485 1.255 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1CO ZINC000355088594 150110352 /nfs/dbraw/zinc/11/03/52/150110352.db2.gz PHIBYXUDTILWTK-NJAFHUGGSA-N 2 1 333.476 1.498 20 0 EDADMP C[NH+]1CCC(C)(CNC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)CC1 ZINC000369989304 155269395 /nfs/dbraw/zinc/26/93/95/155269395.db2.gz YLJQOWLSKGLLPZ-JKSUJKDBSA-N 2 1 338.496 1.271 20 0 EDADMP C[NH+]1CCC(C)(CNC(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)CC1 ZINC000369989304 155269402 /nfs/dbraw/zinc/26/94/02/155269402.db2.gz YLJQOWLSKGLLPZ-JKSUJKDBSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000417037766 304364542 /nfs/dbraw/zinc/36/45/42/304364542.db2.gz IPJTVGOZQKBWDS-WBVHZDCISA-N 2 1 328.476 1.842 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000417037766 304364544 /nfs/dbraw/zinc/36/45/44/304364544.db2.gz IPJTVGOZQKBWDS-WBVHZDCISA-N 2 1 328.476 1.842 20 0 EDADMP C[C@H](CNC(=O)NC(C)(C)C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000417048315 304366593 /nfs/dbraw/zinc/36/65/93/304366593.db2.gz WLTXJWKSFBVOSE-OAHLLOKOSA-N 2 1 333.480 1.234 20 0 EDADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000357407683 151022533 /nfs/dbraw/zinc/02/25/33/151022533.db2.gz QKYONRCYRZPHOK-WBVHZDCISA-N 2 1 325.497 1.865 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357644895 151098709 /nfs/dbraw/zinc/09/87/09/151098709.db2.gz ZYZOKGUWHZZJJB-OAGGEKHMSA-N 2 1 328.501 1.514 20 0 EDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357644895 151098710 /nfs/dbraw/zinc/09/87/10/151098710.db2.gz ZYZOKGUWHZZJJB-OAGGEKHMSA-N 2 1 328.501 1.514 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCN1Cc1ccccc1 ZINC000357702246 151120005 /nfs/dbraw/zinc/12/00/05/151120005.db2.gz IGKUISQYXGYPCP-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@@]2(C)CCCC[NH2+]2)(N2CCCCC2)CC1 ZINC000357811048 151158254 /nfs/dbraw/zinc/15/82/54/151158254.db2.gz DESNGKDJKLTRHQ-GOSISDBHSA-N 2 1 336.524 1.585 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000357876551 151181003 /nfs/dbraw/zinc/18/10/03/151181003.db2.gz YELBHSZAFIVTDL-UHFFFAOYSA-N 2 1 330.542 1.845 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000357959298 151210656 /nfs/dbraw/zinc/21/06/56/151210656.db2.gz PBAVMBLGTFNIJC-HOTGVXAUSA-N 2 1 327.517 1.042 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000357959298 151210664 /nfs/dbraw/zinc/21/06/64/151210664.db2.gz PBAVMBLGTFNIJC-HOTGVXAUSA-N 2 1 327.517 1.042 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000357959298 151210667 /nfs/dbraw/zinc/21/06/67/151210667.db2.gz PBAVMBLGTFNIJC-HOTGVXAUSA-N 2 1 327.517 1.042 20 0 EDADMP C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000358072069 151258389 /nfs/dbraw/zinc/25/83/89/151258389.db2.gz BIRRUORHOFKRJG-HNNXBMFYSA-N 2 1 338.496 1.389 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358079277 151262228 /nfs/dbraw/zinc/26/22/28/151262228.db2.gz DMQYYLWKWJWNSP-RHSMWYFYSA-N 2 1 339.505 1.757 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(CC)nn3C2)[C@@H](C)C1 ZINC000358139126 151285480 /nfs/dbraw/zinc/28/54/80/151285480.db2.gz WEFZTZBBIDERPE-BBWFWOEESA-N 2 1 349.523 1.882 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)[C@@H](C)C1 ZINC000358187428 151299445 /nfs/dbraw/zinc/29/94/45/151299445.db2.gz JOCSHFPQWLCFKG-MDMSPXHWSA-N 2 1 337.508 1.722 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCO)C2CCCCC2)CC1 ZINC000358190991 151300248 /nfs/dbraw/zinc/30/02/48/151300248.db2.gz XOKXQOUHTNQDKW-UHFFFAOYSA-N 2 1 325.497 1.602 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000358288488 151327704 /nfs/dbraw/zinc/32/77/04/151327704.db2.gz FFXUHSFJADWDRG-SJORKVTESA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000358288488 151327706 /nfs/dbraw/zinc/32/77/06/151327706.db2.gz FFXUHSFJADWDRG-SJORKVTESA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000358288488 151327708 /nfs/dbraw/zinc/32/77/08/151327708.db2.gz FFXUHSFJADWDRG-SJORKVTESA-N 2 1 339.528 1.186 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000358312806 151333287 /nfs/dbraw/zinc/33/32/87/151333287.db2.gz MWQPWQJYHJLONW-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000358312806 151333289 /nfs/dbraw/zinc/33/32/89/151333289.db2.gz MWQPWQJYHJLONW-BRWVUGGUSA-N 2 1 340.512 1.611 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000358315692 151334541 /nfs/dbraw/zinc/33/45/41/151334541.db2.gz QMEJKIXSOUQOHP-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000358461482 151384009 /nfs/dbraw/zinc/38/40/09/151384009.db2.gz GIYMUTVFRVSPKK-SJORKVTESA-N 2 1 325.497 1.412 20 0 EDADMP C[C@H](CC[NH3+])NC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000417114838 304373839 /nfs/dbraw/zinc/37/38/39/304373839.db2.gz OHEXNFDLVHFVQD-BZUAXINKSA-N 2 1 348.491 1.832 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)[C@@H]3CSC[NH2+]3)CCCC2)CC1 ZINC000360168188 151935910 /nfs/dbraw/zinc/93/59/10/151935910.db2.gz BVJAAKTVKNPUBQ-AWEZNQCLSA-N 2 1 327.494 1.189 20 0 EDADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1-n1cccn1 ZINC000370115809 155331614 /nfs/dbraw/zinc/33/16/14/155331614.db2.gz ZERXBQDRIOHYRC-INIZCTEOSA-N 2 1 341.459 1.687 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NCc1cccc(-n2ccnc2)c1 ZINC000360768511 152196295 /nfs/dbraw/zinc/19/62/95/152196295.db2.gz WJHSOBDVHMQRLI-UHFFFAOYSA-N 2 1 345.447 1.640 20 0 EDADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000370135708 155343036 /nfs/dbraw/zinc/34/30/36/155343036.db2.gz IYACCQBAWRCGDV-QXDIGNSFSA-N 2 1 334.508 1.985 20 0 EDADMP [NH3+]CCNC(=O)C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000370196113 155372183 /nfs/dbraw/zinc/37/21/83/155372183.db2.gz ZWFRKMPFEQIOGI-UHFFFAOYSA-N 2 1 328.416 1.629 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000364163387 153160053 /nfs/dbraw/zinc/16/00/53/153160053.db2.gz XQTVCKPONBGOPI-OAGGEKHMSA-N 2 1 333.480 1.865 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000364163387 153160055 /nfs/dbraw/zinc/16/00/55/153160055.db2.gz XQTVCKPONBGOPI-OAGGEKHMSA-N 2 1 333.480 1.865 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CN2CCCC[C@H]2CO1 ZINC000367096029 154007792 /nfs/dbraw/zinc/00/77/92/154007792.db2.gz GGZJQKHSKYPNGX-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000367096029 154007797 /nfs/dbraw/zinc/00/77/97/154007797.db2.gz GGZJQKHSKYPNGX-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367096029 154007799 /nfs/dbraw/zinc/00/77/99/154007799.db2.gz GGZJQKHSKYPNGX-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367096029 154007802 /nfs/dbraw/zinc/00/78/02/154007802.db2.gz GGZJQKHSKYPNGX-IXDOHACOSA-N 2 1 338.496 1.365 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000367283282 154066364 /nfs/dbraw/zinc/06/63/64/154066364.db2.gz UIQZLKOVSDPLKT-DLBZAZTESA-N 2 1 347.459 1.090 20 0 EDADMP CCNc1nc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)nc(NC(C)(C)C)[nH+]1 ZINC000367333166 154080316 /nfs/dbraw/zinc/08/03/16/154080316.db2.gz PCENUIHKUQAVRX-OLZOCXBDSA-N 2 1 333.484 1.466 20 0 EDADMP CCNc1nc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)nc(NC(C)(C)C)[nH+]1 ZINC000367333166 154080319 /nfs/dbraw/zinc/08/03/19/154080319.db2.gz PCENUIHKUQAVRX-OLZOCXBDSA-N 2 1 333.484 1.466 20 0 EDADMP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367659998 154218923 /nfs/dbraw/zinc/21/89/23/154218923.db2.gz LYUUNDCMIXHNNV-IRXDYDNUSA-N 2 1 338.540 1.639 20 0 EDADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367659998 154218926 /nfs/dbraw/zinc/21/89/26/154218926.db2.gz LYUUNDCMIXHNNV-IRXDYDNUSA-N 2 1 338.540 1.639 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000368011309 154368092 /nfs/dbraw/zinc/36/80/92/154368092.db2.gz XKMNGRVMJYWDCB-DZGCQCFKSA-N 2 1 325.453 1.180 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+](C)C ZINC000369501801 155061225 /nfs/dbraw/zinc/06/12/25/155061225.db2.gz URKDFTZUHIOYSJ-MSOLQXFVSA-N 2 1 348.491 1.218 20 0 EDADMP COc1cc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc(C)n1 ZINC000369501047 155061546 /nfs/dbraw/zinc/06/15/46/155061546.db2.gz ALYOZQYJZVFPGG-HNNXBMFYSA-N 2 1 332.448 1.297 20 0 EDADMP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369566759 155089660 /nfs/dbraw/zinc/08/96/60/155089660.db2.gz QPBPWLFZZYJNJZ-UIBIWLFHSA-N 2 1 343.475 1.364 20 0 EDADMP CC[N@H+](CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CC1 ZINC000372005195 156206517 /nfs/dbraw/zinc/20/65/17/156206517.db2.gz ZITLAIFQODATPU-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CC1 ZINC000372005195 156206519 /nfs/dbraw/zinc/20/65/19/156206519.db2.gz ZITLAIFQODATPU-DLBZAZTESA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@@H+]1CCO[C@H](CN2CCN(CC[NH+]3CCC(C)CC3)CC2)C1 ZINC000372043086 156224017 /nfs/dbraw/zinc/22/40/17/156224017.db2.gz STVQOQNMNLCISM-IBGZPJMESA-N 2 1 338.540 1.057 20 0 EDADMP CC[N@H+]1CCO[C@H](CN2CCN(CC[NH+]3CCC(C)CC3)CC2)C1 ZINC000372043086 156224019 /nfs/dbraw/zinc/22/40/19/156224019.db2.gz STVQOQNMNLCISM-IBGZPJMESA-N 2 1 338.540 1.057 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH+]3CCCC[C@@H]3CO2)C[N@@H+]1C1CC1 ZINC000372343030 156344928 /nfs/dbraw/zinc/34/49/28/156344928.db2.gz AJEXAKVTPUKSTM-WTTBNOFXSA-N 2 1 336.480 1.164 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH+]3CCCC[C@@H]3CO2)C[N@H+]1C1CC1 ZINC000372343030 156344930 /nfs/dbraw/zinc/34/49/30/156344930.db2.gz AJEXAKVTPUKSTM-WTTBNOFXSA-N 2 1 336.480 1.164 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)C[NH+]1C1CC1 ZINC000372343030 156344931 /nfs/dbraw/zinc/34/49/31/156344931.db2.gz AJEXAKVTPUKSTM-WTTBNOFXSA-N 2 1 336.480 1.164 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)C[NH+]1C1CC1 ZINC000372343030 156344936 /nfs/dbraw/zinc/34/49/36/156344936.db2.gz AJEXAKVTPUKSTM-WTTBNOFXSA-N 2 1 336.480 1.164 20 0 EDADMP COCCn1cc(C[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cn1 ZINC000374145299 157162749 /nfs/dbraw/zinc/16/27/49/157162749.db2.gz SUGJKKUYKUFEIO-QGZVFWFLSA-N 2 1 344.463 1.695 20 0 EDADMP CC(C)Cn1cc(CN2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)cn1 ZINC000374716181 157376066 /nfs/dbraw/zinc/37/60/66/157376066.db2.gz KXKUUYXZPVHWME-HKUYNNGSSA-N 2 1 349.523 1.376 20 0 EDADMP CC(C)Cn1cc(CN2CCN(C[C@@H]3CN(C)CCO3)C[C@@H]2C)cn1 ZINC000374716181 157376069 /nfs/dbraw/zinc/37/60/69/157376069.db2.gz KXKUUYXZPVHWME-HKUYNNGSSA-N 2 1 349.523 1.376 20 0 EDADMP C[N@@H+](CC[C@@H]1CCOC1=O)C1CCN(CCc2ccncc2)CC1 ZINC000374750133 157387188 /nfs/dbraw/zinc/38/71/88/157387188.db2.gz LWBLANPIPYUASP-QGZVFWFLSA-N 2 1 331.460 1.974 20 0 EDADMP COCC[C@]1(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH2+]C1 ZINC000378211702 158111149 /nfs/dbraw/zinc/11/11/49/158111149.db2.gz RJSAHIFSOVDISZ-GOSISDBHSA-N 2 1 337.439 1.390 20 0 EDADMP CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000378537025 158203816 /nfs/dbraw/zinc/20/38/16/158203816.db2.gz ITOAEWNCSPFGPS-CYBMUJFWSA-N 2 1 331.424 1.627 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000352224354 162059207 /nfs/dbraw/zinc/05/92/07/162059207.db2.gz YMVKBPRIDAFVPF-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccon1 ZINC000352276801 162088966 /nfs/dbraw/zinc/08/89/66/162088966.db2.gz XGVYVUKRCMMPJL-HUUCEWRRSA-N 2 1 337.468 1.793 20 0 EDADMP C[N@@H+](C[C@H](O)CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000352364974 162142371 /nfs/dbraw/zinc/14/23/71/162142371.db2.gz LKFMQXUOHIUDJF-GGPKGHCWSA-N 2 1 329.488 1.505 20 0 EDADMP CCCC[N@H+](C)CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000352379684 162150969 /nfs/dbraw/zinc/15/09/69/162150969.db2.gz WFIWGVVEFFDYSO-UHFFFAOYSA-N 2 1 335.496 1.480 20 0 EDADMP CCCC[N@@H+](C)CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000352379684 162150972 /nfs/dbraw/zinc/15/09/72/162150972.db2.gz WFIWGVVEFFDYSO-UHFFFAOYSA-N 2 1 335.496 1.480 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCOC[C@H](C4CCC4)C3)cn2)CC1 ZINC000366546749 162389534 /nfs/dbraw/zinc/38/95/34/162389534.db2.gz WCGQQZUWRCJGLV-GOSISDBHSA-N 2 1 345.491 1.477 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCOC[C@H](C4CCC4)C3)cn2)CC1 ZINC000366546749 162389538 /nfs/dbraw/zinc/38/95/38/162389538.db2.gz WCGQQZUWRCJGLV-GOSISDBHSA-N 2 1 345.491 1.477 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000345429336 298718146 /nfs/dbraw/zinc/71/81/46/298718146.db2.gz HAHVDDFOYJMKAB-IKGGRYGDSA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)[N@H+](C)CC(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1 ZINC000067592663 287246406 /nfs/dbraw/zinc/24/64/06/287246406.db2.gz BSJCWTJKGCJBKA-MRXNPFEDSA-N 2 1 333.476 1.864 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1 ZINC000067592663 287246407 /nfs/dbraw/zinc/24/64/07/287246407.db2.gz BSJCWTJKGCJBKA-MRXNPFEDSA-N 2 1 333.476 1.864 20 0 EDADMP CC(C)[NH+](C)CC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000067592663 287246408 /nfs/dbraw/zinc/24/64/08/287246408.db2.gz BSJCWTJKGCJBKA-MRXNPFEDSA-N 2 1 333.476 1.864 20 0 EDADMP CC(C)[NH+](C)CC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000067592663 287246409 /nfs/dbraw/zinc/24/64/09/287246409.db2.gz BSJCWTJKGCJBKA-MRXNPFEDSA-N 2 1 333.476 1.864 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000073866790 287265710 /nfs/dbraw/zinc/26/57/10/287265710.db2.gz TVPSCMKXVQCJHU-BRWVUGGUSA-N 2 1 342.528 1.620 20 0 EDADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000074371535 287270198 /nfs/dbraw/zinc/27/01/98/287270198.db2.gz VLUSNNHBDOFBFN-HOTGVXAUSA-N 2 1 326.485 1.080 20 0 EDADMP CC[C@@H]1[C@H](CO)CC[NH+]1CCOCC[N@@H+]1CC[C@@H](CO)[C@H]1CC ZINC000451263389 287370033 /nfs/dbraw/zinc/37/00/33/287370033.db2.gz YXDSCLGZHMEHFC-WNRNVDISSA-N 2 1 328.497 1.189 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)CCCn1ccnc1C ZINC000121385451 287370843 /nfs/dbraw/zinc/37/08/43/287370843.db2.gz LBYHWEYJWZWVBE-MRXNPFEDSA-N 2 1 337.468 1.334 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)CCCn1cc[nH+]c1C ZINC000121385451 287370845 /nfs/dbraw/zinc/37/08/45/287370845.db2.gz LBYHWEYJWZWVBE-MRXNPFEDSA-N 2 1 337.468 1.334 20 0 EDADMP COC1(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000166506157 226159939 /nfs/dbraw/zinc/15/99/39/226159939.db2.gz QXNJXRNDJHNADN-HNNXBMFYSA-N 2 1 331.460 1.318 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000133567596 287541352 /nfs/dbraw/zinc/54/13/52/287541352.db2.gz AYBJYSDGCJOHQI-OAHLLOKOSA-N 2 1 343.537 1.429 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000418478256 304500198 /nfs/dbraw/zinc/50/01/98/304500198.db2.gz VFDANIAKHHRIHJ-LSDHHAIUSA-N 2 1 326.485 1.114 20 0 EDADMP CC[NH+](CC)CCOCC[N@H+](CC(=O)N(C)C)Cc1ccccc1 ZINC000273097791 267978442 /nfs/dbraw/zinc/97/84/42/267978442.db2.gz UYCDONCCLHZPKI-UHFFFAOYSA-N 2 1 335.492 1.935 20 0 EDADMP CC[NH+](CC)CCOCC[N@@H+](CC(=O)N(C)C)Cc1ccccc1 ZINC000273097791 267978445 /nfs/dbraw/zinc/97/84/45/267978445.db2.gz UYCDONCCLHZPKI-UHFFFAOYSA-N 2 1 335.492 1.935 20 0 EDADMP C[C@H](NC(=O)N1CCN(Cc2ccncc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000273045297 273025604 /nfs/dbraw/zinc/02/56/04/273025604.db2.gz WQZIHCLLBNGJTP-INIZCTEOSA-N 2 1 343.475 1.559 20 0 EDADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+](CC)CCO)cc1)C(C)C ZINC000274564955 268160390 /nfs/dbraw/zinc/16/03/90/268160390.db2.gz PUDIUFMWIHJGHE-UHFFFAOYSA-N 2 1 335.492 1.961 20 0 EDADMP CC[NH+](CCO)CCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000274564955 268160391 /nfs/dbraw/zinc/16/03/91/268160391.db2.gz PUDIUFMWIHJGHE-UHFFFAOYSA-N 2 1 335.492 1.961 20 0 EDADMP CC[NH+](CCO)CCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000274564955 268160392 /nfs/dbraw/zinc/16/03/92/268160392.db2.gz PUDIUFMWIHJGHE-UHFFFAOYSA-N 2 1 335.492 1.961 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[NH+](C)CC1 ZINC000274189601 273076126 /nfs/dbraw/zinc/07/61/26/273076126.db2.gz HRSAZMJEDMPDHW-FUHWJXTLSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[N@H+](C)CC1 ZINC000274189601 273076127 /nfs/dbraw/zinc/07/61/27/273076127.db2.gz HRSAZMJEDMPDHW-FUHWJXTLSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000274189601 273076128 /nfs/dbraw/zinc/07/61/28/273076128.db2.gz HRSAZMJEDMPDHW-FUHWJXTLSA-N 2 1 330.476 1.854 20 0 EDADMP C[C@@H](CNC(=O)[C@]12CCC[C@@H]1C[NH2+]C2)[N@H+]1CCc2ccccc2C1 ZINC000280716917 273389569 /nfs/dbraw/zinc/38/95/69/273389569.db2.gz FDUBNRIGHPCANW-CVAIRZPRSA-N 2 1 327.472 1.939 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000377103199 276374895 /nfs/dbraw/zinc/37/48/95/276374895.db2.gz MMSDNGGHTYOQMW-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000377103199 276374897 /nfs/dbraw/zinc/37/48/97/276374897.db2.gz MMSDNGGHTYOQMW-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000377103199 276374900 /nfs/dbraw/zinc/37/49/00/276374900.db2.gz MMSDNGGHTYOQMW-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357050316 276388703 /nfs/dbraw/zinc/38/87/03/276388703.db2.gz MEQTYIQEEYULTC-MJGOQNOKSA-N 3 1 328.504 1.870 20 0 EDADMP CC[NH+]1CCN(c2ccccc2CN2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357050316 276388705 /nfs/dbraw/zinc/38/87/05/276388705.db2.gz MEQTYIQEEYULTC-MJGOQNOKSA-N 2 1 328.504 1.870 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@]3(C)CCO[C@H]3C3CC3)cn2)CC1 ZINC000368762633 277114669 /nfs/dbraw/zinc/11/46/69/277114669.db2.gz AFBNTWCBGYCUJL-HKUYNNGSSA-N 2 1 345.491 1.523 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CC34CCSCC4)cn2)CC1 ZINC000421380196 277114715 /nfs/dbraw/zinc/11/47/15/277114715.db2.gz LZDUOKZVQONLSG-MRXNPFEDSA-N 2 1 347.532 1.851 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@@H+](C)Cc1ccccc1 ZINC000417596324 278200804 /nfs/dbraw/zinc/20/08/04/278200804.db2.gz ZUBWYRUHLRUEBD-VQIMIIECSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000351220220 278272844 /nfs/dbraw/zinc/27/28/44/278272844.db2.gz VQVFBHSOHQCGIE-DLBZAZTESA-N 2 1 338.496 1.225 20 0 EDADMP C[C@@H](NC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)[C@H](C)[NH3+] ZINC000417023360 278325278 /nfs/dbraw/zinc/32/52/78/278325278.db2.gz PGKQZESBUPECPM-JZXOWHBKSA-N 2 1 347.507 1.400 20 0 EDADMP C[C@@H](NC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1)[C@H](C)[NH3+] ZINC000417023360 278325279 /nfs/dbraw/zinc/32/52/79/278325279.db2.gz PGKQZESBUPECPM-JZXOWHBKSA-N 2 1 347.507 1.400 20 0 EDADMP C[C@@H](NC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)[C@H](C)[NH3+] ZINC000417023360 278325280 /nfs/dbraw/zinc/32/52/80/278325280.db2.gz PGKQZESBUPECPM-JZXOWHBKSA-N 2 1 347.507 1.400 20 0 EDADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000355588239 278676049 /nfs/dbraw/zinc/67/60/49/278676049.db2.gz MBTFUIUFQBZMIB-BRWVUGGUSA-N 2 1 345.491 1.245 20 0 EDADMP CC[N@@H+](CC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000347864567 279054789 /nfs/dbraw/zinc/05/47/89/279054789.db2.gz PVKCHBXPSFBDRH-KBXCAEBGSA-N 2 1 333.480 1.404 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000347864567 279054790 /nfs/dbraw/zinc/05/47/90/279054790.db2.gz PVKCHBXPSFBDRH-KBXCAEBGSA-N 2 1 333.480 1.404 20 0 EDADMP CC[NH+](CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000347864567 279054791 /nfs/dbraw/zinc/05/47/91/279054791.db2.gz PVKCHBXPSFBDRH-KBXCAEBGSA-N 2 1 333.480 1.404 20 0 EDADMP Cc1nn(C)c(N2CCC[NH+](C)CC2)c1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000370619926 279198275 /nfs/dbraw/zinc/19/82/75/279198275.db2.gz IBBJILPPBBHRPP-RDJZCZTQSA-N 2 1 348.539 1.443 20 0 EDADMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000370619926 279198276 /nfs/dbraw/zinc/19/82/76/279198276.db2.gz IBBJILPPBBHRPP-RDJZCZTQSA-N 2 1 348.539 1.443 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000370619926 279198280 /nfs/dbraw/zinc/19/82/80/279198280.db2.gz IBBJILPPBBHRPP-RDJZCZTQSA-N 2 1 348.539 1.443 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000364163386 279335318 /nfs/dbraw/zinc/33/53/18/279335318.db2.gz XQTVCKPONBGOPI-BZUAXINKSA-N 2 1 333.480 1.865 20 0 EDADMP C[C@H](CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000364163386 279335324 /nfs/dbraw/zinc/33/53/24/279335324.db2.gz XQTVCKPONBGOPI-BZUAXINKSA-N 2 1 333.480 1.865 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000183913119 279385456 /nfs/dbraw/zinc/38/54/56/279385456.db2.gz BMSBJAWUWHWCKI-RBUKOAKNSA-N 2 1 347.503 1.980 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000183913119 279385457 /nfs/dbraw/zinc/38/54/57/279385457.db2.gz BMSBJAWUWHWCKI-RBUKOAKNSA-N 2 1 347.503 1.980 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000183913119 279385458 /nfs/dbraw/zinc/38/54/58/279385458.db2.gz BMSBJAWUWHWCKI-RBUKOAKNSA-N 2 1 347.503 1.980 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000183913119 279385459 /nfs/dbraw/zinc/38/54/59/279385459.db2.gz BMSBJAWUWHWCKI-RBUKOAKNSA-N 2 1 347.503 1.980 20 0 EDADMP CC(C)[C@H](C(=O)N(C)CC[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000343497966 280136890 /nfs/dbraw/zinc/13/68/90/280136890.db2.gz XVFXSHSLJIENJH-IXDOHACOSA-N 2 1 325.497 1.674 20 0 EDADMP CC(C)[C@H](C(=O)N(C)CC[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000343497966 280136893 /nfs/dbraw/zinc/13/68/93/280136893.db2.gz XVFXSHSLJIENJH-IXDOHACOSA-N 2 1 325.497 1.674 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000168643411 288217030 /nfs/dbraw/zinc/21/70/30/288217030.db2.gz ZIUZEGIVZNXITH-HNNXBMFYSA-N 2 1 325.497 1.772 20 0 EDADMP Cc1nn(C)c2sc([C@@H](C)[NH2+]CCC(=O)N3CC[NH+](C)CC3)cc12 ZINC000287794023 288325138 /nfs/dbraw/zinc/32/51/38/288325138.db2.gz SXQUMJQTJZYGLZ-CYBMUJFWSA-N 2 1 349.504 1.758 20 0 EDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC000291547019 289102058 /nfs/dbraw/zinc/10/20/58/289102058.db2.gz PTPPIBYYPGTIIZ-UHFFFAOYSA-N 2 1 327.432 1.924 20 0 EDADMP CN(CCCNC(=O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292055607 289250651 /nfs/dbraw/zinc/25/06/51/289250651.db2.gz CATOAQNOPSCRMO-HXUWFJFHSA-N 2 1 344.503 1.657 20 0 EDADMP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349090 289328764 /nfs/dbraw/zinc/32/87/64/289328764.db2.gz NRWZSQYPHPPNNQ-JFIYKMOQSA-N 2 1 342.487 1.332 20 0 EDADMP CO[C@]1(C)C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664280784 452961756 /nfs/dbraw/zinc/96/17/56/452961756.db2.gz IOMKIVAOHTYPMJ-HDMKZQKVSA-N 2 1 342.528 1.761 20 0 EDADMP CO[C@]1(C)C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664280784 452961763 /nfs/dbraw/zinc/96/17/63/452961763.db2.gz IOMKIVAOHTYPMJ-HDMKZQKVSA-N 2 1 342.528 1.761 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)C2=O)cn1 ZINC000377855027 294247829 /nfs/dbraw/zinc/24/78/29/294247829.db2.gz IRHRUNBNMGEOPP-HPBDAGMYSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1cc(N2CCC[C@H]([N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)C2=O)cn1 ZINC000377855027 294247834 /nfs/dbraw/zinc/24/78/34/294247834.db2.gz IRHRUNBNMGEOPP-HPBDAGMYSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1cc(N2CCC[C@H]([NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)C2=O)cn1 ZINC000377855027 294247836 /nfs/dbraw/zinc/24/78/36/294247836.db2.gz IRHRUNBNMGEOPP-HPBDAGMYSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1cc(N2CCC[C@H]([NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)C2=O)cn1 ZINC000377855027 294247840 /nfs/dbraw/zinc/24/78/40/294247840.db2.gz IRHRUNBNMGEOPP-HPBDAGMYSA-N 2 1 343.475 1.332 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000419655500 447323813 /nfs/dbraw/zinc/32/38/13/447323813.db2.gz HNLORCSEYDWSQY-HOCLYGCPSA-N 2 1 346.475 1.009 20 0 EDADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)C[NH+](C)C ZINC000293964170 303045242 /nfs/dbraw/zinc/04/52/42/303045242.db2.gz WJCQFXLMYFGFKG-MAUKXSAKSA-N 2 1 333.476 1.498 20 0 EDADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000294695684 303137032 /nfs/dbraw/zinc/13/70/32/303137032.db2.gz ANMZPJQVOAAPAD-QGZVFWFLSA-N 2 1 331.460 1.756 20 0 EDADMP CC[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000295840661 303274066 /nfs/dbraw/zinc/27/40/66/303274066.db2.gz ZNYPOOHIVBTTDX-KRWDZBQOSA-N 2 1 335.448 1.160 20 0 EDADMP CC[C@@H](CO)N(C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000295840661 303274068 /nfs/dbraw/zinc/27/40/68/303274068.db2.gz ZNYPOOHIVBTTDX-KRWDZBQOSA-N 2 1 335.448 1.160 20 0 EDADMP C[C@@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)[N@@H+]1C ZINC000296347270 303312225 /nfs/dbraw/zinc/31/22/25/303312225.db2.gz CSKHCFJJHLNOJX-GASCZTMLSA-N 2 1 349.479 1.256 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000423907449 304914699 /nfs/dbraw/zinc/91/46/99/304914699.db2.gz AWUYRLNKQJNRLK-UHFFFAOYSA-N 2 1 333.480 1.804 20 0 EDADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ncn1 ZINC000428295000 305009130 /nfs/dbraw/zinc/00/91/30/305009130.db2.gz ISLNXTWPQYXTJB-IRXDYDNUSA-N 2 1 348.491 1.875 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000429027502 305023144 /nfs/dbraw/zinc/02/31/44/305023144.db2.gz ZWLNIIVYGJTCES-LJQANCHMSA-N 2 1 329.444 1.403 20 0 EDADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000429027502 305023145 /nfs/dbraw/zinc/02/31/45/305023145.db2.gz ZWLNIIVYGJTCES-LJQANCHMSA-N 2 1 329.444 1.403 20 0 EDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000429027502 305023146 /nfs/dbraw/zinc/02/31/46/305023146.db2.gz ZWLNIIVYGJTCES-LJQANCHMSA-N 2 1 329.444 1.403 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000429027502 305023147 /nfs/dbraw/zinc/02/31/47/305023147.db2.gz ZWLNIIVYGJTCES-LJQANCHMSA-N 2 1 329.444 1.403 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000429027502 305023148 /nfs/dbraw/zinc/02/31/48/305023148.db2.gz ZWLNIIVYGJTCES-LJQANCHMSA-N 2 1 329.444 1.403 20 0 EDADMP CSC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000429286732 305027660 /nfs/dbraw/zinc/02/76/60/305027660.db2.gz SMAHLSSNINCYJC-AWEZNQCLSA-N 2 1 325.522 1.804 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430596650 305057650 /nfs/dbraw/zinc/05/76/50/305057650.db2.gz JVMQBECUMGAGAU-OAHLLOKOSA-N 2 1 348.491 1.346 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430596650 305057651 /nfs/dbraw/zinc/05/76/51/305057651.db2.gz JVMQBECUMGAGAU-OAHLLOKOSA-N 2 1 348.491 1.346 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000430606476 305058413 /nfs/dbraw/zinc/05/84/13/305058413.db2.gz VWVBWXOLLDQKNE-AWEZNQCLSA-N 2 1 346.406 1.768 20 0 EDADMP CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430618346 305059438 /nfs/dbraw/zinc/05/94/38/305059438.db2.gz SUMOTUFBJIWEPM-CABCVRRESA-N 2 1 349.479 1.617 20 0 EDADMP CCCCc1noc([C@@H](C)[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430618346 305059439 /nfs/dbraw/zinc/05/94/39/305059439.db2.gz SUMOTUFBJIWEPM-CABCVRRESA-N 2 1 349.479 1.617 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)COC3C[NH2+]C3)cc2)C1 ZINC000430757374 305064170 /nfs/dbraw/zinc/06/41/70/305064170.db2.gz FUSKKFMQDZIXLR-IYBDPMFKSA-N 2 1 345.487 1.769 20 0 EDADMP CC(C)(C[NH3+])C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000431003374 305072499 /nfs/dbraw/zinc/07/24/99/305072499.db2.gz GAZFHMNTWBSLHD-UHFFFAOYSA-N 2 1 346.519 1.686 20 0 EDADMP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](n2c(C)nc3c2CCCC3)C1 ZINC000432076019 305086967 /nfs/dbraw/zinc/08/69/67/305086967.db2.gz KPGULZBFJCXFKH-GOEBONIOSA-N 2 1 348.491 1.858 20 0 EDADMP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432076019 305086969 /nfs/dbraw/zinc/08/69/69/305086969.db2.gz KPGULZBFJCXFKH-GOEBONIOSA-N 2 1 348.491 1.858 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000433401359 305108097 /nfs/dbraw/zinc/10/80/97/305108097.db2.gz XRJGMVWAWIXXRB-BRWVUGGUSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000433401359 305108098 /nfs/dbraw/zinc/10/80/98/305108098.db2.gz XRJGMVWAWIXXRB-BRWVUGGUSA-N 2 1 340.512 1.515 20 0 EDADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000433401359 305108099 /nfs/dbraw/zinc/10/80/99/305108099.db2.gz XRJGMVWAWIXXRB-BRWVUGGUSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C1=CC[NH+](C)CC1 ZINC000434387014 305121478 /nfs/dbraw/zinc/12/14/78/305121478.db2.gz LWZBVRKTGPBPCJ-HNNXBMFYSA-N 2 1 338.496 1.389 20 0 EDADMP C[C@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C1=CC[NH+](C)CC1 ZINC000434387014 305121479 /nfs/dbraw/zinc/12/14/79/305121479.db2.gz LWZBVRKTGPBPCJ-HNNXBMFYSA-N 2 1 338.496 1.389 20 0 EDADMP C[C@H](NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1)C1=CC[N@H+](C)CC1 ZINC000434387014 305121480 /nfs/dbraw/zinc/12/14/80/305121480.db2.gz LWZBVRKTGPBPCJ-HNNXBMFYSA-N 2 1 338.496 1.389 20 0 EDADMP C[C@H](NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1)C1=CC[N@@H+](C)CC1 ZINC000434387014 305121481 /nfs/dbraw/zinc/12/14/81/305121481.db2.gz LWZBVRKTGPBPCJ-HNNXBMFYSA-N 2 1 338.496 1.389 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000435378386 305139363 /nfs/dbraw/zinc/13/93/63/305139363.db2.gz DOMHZVFOIRLEOS-DZGCQCFKSA-N 2 1 335.448 1.379 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000435378386 305139364 /nfs/dbraw/zinc/13/93/64/305139364.db2.gz DOMHZVFOIRLEOS-DZGCQCFKSA-N 2 1 335.448 1.379 20 0 EDADMP CCNC(=O)COc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000435388458 305139718 /nfs/dbraw/zinc/13/97/18/305139718.db2.gz GYGRGQOWZHYFHU-UHFFFAOYSA-N 2 1 335.448 1.394 20 0 EDADMP CCNC(=O)COc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000435388458 305139719 /nfs/dbraw/zinc/13/97/19/305139719.db2.gz GYGRGQOWZHYFHU-UHFFFAOYSA-N 2 1 335.448 1.394 20 0 EDADMP CCC[N@@H+](C)CC(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435576933 305142829 /nfs/dbraw/zinc/14/28/29/305142829.db2.gz XSDIHLYSQUBHQT-CQSZACIVSA-N 2 1 336.505 1.956 20 0 EDADMP CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435619621 305143445 /nfs/dbraw/zinc/14/34/45/305143445.db2.gz ZGGMCYUTWKEBNR-IBGZPJMESA-N 2 1 344.503 1.405 20 0 EDADMP CCc1cccc(OCC[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436049638 305151376 /nfs/dbraw/zinc/15/13/76/305151376.db2.gz LZBGIFUOQMABPB-QGZVFWFLSA-N 2 1 333.476 1.947 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)C(C)C ZINC000436139513 305152943 /nfs/dbraw/zinc/15/29/43/305152943.db2.gz YQUQZYFDVFGMDT-HNNXBMFYSA-N 2 1 328.501 1.203 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C(C)C ZINC000436139513 305152944 /nfs/dbraw/zinc/15/29/44/305152944.db2.gz YQUQZYFDVFGMDT-HNNXBMFYSA-N 2 1 328.501 1.203 20 0 EDADMP CC[NH+](CCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C(C)C ZINC000436139513 305152945 /nfs/dbraw/zinc/15/29/45/305152945.db2.gz YQUQZYFDVFGMDT-HNNXBMFYSA-N 2 1 328.501 1.203 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CC[N@@H+]1C ZINC000442865839 305230224 /nfs/dbraw/zinc/23/02/24/305230224.db2.gz UZCYOFFWJLKYOU-YPMHNXCESA-N 2 1 347.431 1.315 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CC[N@H+]1C ZINC000442865839 305230225 /nfs/dbraw/zinc/23/02/25/305230225.db2.gz UZCYOFFWJLKYOU-YPMHNXCESA-N 2 1 347.431 1.315 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCC2)CC[N@H+]1CCOC ZINC000446613544 305268055 /nfs/dbraw/zinc/26/80/55/305268055.db2.gz GUELQNFFVSXSSY-OAHLLOKOSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)COC1CCC([NH3+])CC1 ZINC000449102947 305306758 /nfs/dbraw/zinc/30/67/58/305306758.db2.gz NBFWEMOSMQZKES-KWJBXHGQSA-N 2 1 325.497 1.756 20 0 EDADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000449144125 305307756 /nfs/dbraw/zinc/30/77/56/305307756.db2.gz YICGQWYYGZZXLJ-WIYYLYMNSA-N 2 1 344.547 1.917 20 0 EDADMP C[C@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000449335046 305311793 /nfs/dbraw/zinc/31/17/93/305311793.db2.gz HKTRNLCJZCAELO-VQIMIIECSA-N 2 1 331.460 1.002 20 0 EDADMP CCC1([NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCCC1 ZINC000451270635 305335743 /nfs/dbraw/zinc/33/57/43/305335743.db2.gz CHDANZOSYSKGOO-INIZCTEOSA-N 2 1 325.497 1.772 20 0 EDADMP CO[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000451577635 305354806 /nfs/dbraw/zinc/35/48/06/305354806.db2.gz VQUZTNBNEQTYCG-RYQLBKOJSA-N 2 1 333.476 1.762 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452346231 305390867 /nfs/dbraw/zinc/39/08/67/305390867.db2.gz GOQONOMILHNVCZ-INIZCTEOSA-N 2 1 349.475 1.204 20 0 EDADMP CC[C@H](C(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@@H+](C)Cc1ccccc1 ZINC000452382491 305395941 /nfs/dbraw/zinc/39/59/41/305395941.db2.gz MLOGIXAJLDSODN-RBUKOAKNSA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+](C)Cc1ccccc1 ZINC000452382491 305395942 /nfs/dbraw/zinc/39/59/42/305395942.db2.gz MLOGIXAJLDSODN-RBUKOAKNSA-N 2 1 347.503 1.860 20 0 EDADMP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+](C)Cc1ccccc1 ZINC000452382491 305395943 /nfs/dbraw/zinc/39/59/43/305395943.db2.gz MLOGIXAJLDSODN-RBUKOAKNSA-N 2 1 347.503 1.860 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)NC(C)(C)C[NH+](C)C)CC2)[nH+]1 ZINC000458408013 447349397 /nfs/dbraw/zinc/34/93/97/447349397.db2.gz WUFLYYVSPUPJMB-UHFFFAOYSA-N 2 1 333.480 1.998 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)[C@@H]1n1cccn1 ZINC000425896200 447352931 /nfs/dbraw/zinc/35/29/31/447352931.db2.gz NSNHYNKVSBRDEW-KURKYZTESA-N 2 1 345.447 1.846 20 0 EDADMP C[C@@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)C[NH+]1CCOCC1 ZINC000458421047 447357126 /nfs/dbraw/zinc/35/71/26/447357126.db2.gz QACRRMYMUFILLA-HOTGVXAUSA-N 2 1 338.496 1.080 20 0 EDADMP C[C@@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)C[NH+]1CCOCC1 ZINC000458421047 447357129 /nfs/dbraw/zinc/35/71/29/447357129.db2.gz QACRRMYMUFILLA-HOTGVXAUSA-N 2 1 338.496 1.080 20 0 EDADMP [NH3+]CC1(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCCC1 ZINC000515851244 305729220 /nfs/dbraw/zinc/72/92/20/305729220.db2.gz AOIQGKVPYUHVNW-UHFFFAOYSA-N 2 1 330.476 1.444 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3c([nH]2)CCOC3)CC1 ZINC000520352635 305778552 /nfs/dbraw/zinc/77/85/52/305778552.db2.gz QLWWSHWCCZWVOX-UHFFFAOYSA-N 2 1 341.415 1.487 20 0 EDADMP C[C@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)CN1CC[NH+](C)CC1 ZINC000458433265 447363596 /nfs/dbraw/zinc/36/35/96/447363596.db2.gz IUPJFUJUSQDLPR-MRXNPFEDSA-N 2 1 339.528 1.044 20 0 EDADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3CCC[NH+]3C3CC3)CC2)C[C@H](C)O1 ZINC000425955317 447365899 /nfs/dbraw/zinc/36/58/99/447365899.db2.gz YZMDTAHZSXXVKY-FCEWJHQRSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)C[C@H](C)O1 ZINC000425955317 447365905 /nfs/dbraw/zinc/36/59/05/447365905.db2.gz YZMDTAHZSXXVKY-FCEWJHQRSA-N 2 1 349.519 1.961 20 0 EDADMP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)C[C@H](C)O1 ZINC000425955317 447365912 /nfs/dbraw/zinc/36/59/12/447365912.db2.gz YZMDTAHZSXXVKY-FCEWJHQRSA-N 2 1 349.519 1.961 20 0 EDADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535723471 306015033 /nfs/dbraw/zinc/01/50/33/306015033.db2.gz LAZLPNRINXGGLN-OALUTQOASA-N 2 1 348.535 1.537 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000535723471 306015034 /nfs/dbraw/zinc/01/50/34/306015034.db2.gz LAZLPNRINXGGLN-OALUTQOASA-N 2 1 348.535 1.537 20 0 EDADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000535723471 306015035 /nfs/dbraw/zinc/01/50/35/306015035.db2.gz LAZLPNRINXGGLN-OALUTQOASA-N 2 1 348.535 1.537 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc4n[nH]c(C)c4c3)C2)CC1 ZINC000535837142 306018167 /nfs/dbraw/zinc/01/81/67/306018167.db2.gz KJJUWORBMBRGPX-INIZCTEOSA-N 2 1 328.464 1.478 20 0 EDADMP C[C@@H]1CC(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000537642248 306028535 /nfs/dbraw/zinc/02/85/35/306028535.db2.gz IDFLAIXFVURMHD-ZIAGYGMSSA-N 2 1 332.448 1.976 20 0 EDADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc2C1 ZINC000538709309 306032790 /nfs/dbraw/zinc/03/27/90/306032790.db2.gz DRNCRJWJIYWNPY-IEBWSBKVSA-N 2 1 331.460 1.526 20 0 EDADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000543714978 306067596 /nfs/dbraw/zinc/06/75/96/306067596.db2.gz NACYVRKPWYCNBP-UHFFFAOYSA-N 2 1 348.491 1.725 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc3ncnn32)CC1 ZINC000544387397 306074679 /nfs/dbraw/zinc/07/46/79/306074679.db2.gz KSAHONCVFPUYDS-UHFFFAOYSA-N 2 1 337.387 1.128 20 0 EDADMP CC[C@@H]1C[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC(=O)N1 ZINC000544505966 306075370 /nfs/dbraw/zinc/07/53/70/306075370.db2.gz RRVRHSGJARCTRB-UONOGXRCSA-N 2 1 345.447 1.077 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000544586416 306077044 /nfs/dbraw/zinc/07/70/44/306077044.db2.gz PZZDLPXYBPIYLZ-QGZVFWFLSA-N 2 1 341.496 1.104 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000548978482 306142983 /nfs/dbraw/zinc/14/29/83/306142983.db2.gz MEBDSNVENZIKNX-MFKMUULPSA-N 2 1 349.859 1.297 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000552039246 306174419 /nfs/dbraw/zinc/17/44/19/306174419.db2.gz WVCMBXIIYNOQQW-UHFFFAOYSA-N 2 1 344.503 1.995 20 0 EDADMP O=C(NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000555612898 306204003 /nfs/dbraw/zinc/20/40/03/306204003.db2.gz NBKVXPGBDYMTMZ-ICSRJNTNSA-N 2 1 343.471 1.366 20 0 EDADMP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000555612898 306204004 /nfs/dbraw/zinc/20/40/04/306204004.db2.gz NBKVXPGBDYMTMZ-ICSRJNTNSA-N 2 1 343.471 1.366 20 0 EDADMP O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000555612898 306204005 /nfs/dbraw/zinc/20/40/05/306204005.db2.gz NBKVXPGBDYMTMZ-ICSRJNTNSA-N 2 1 343.471 1.366 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000557133923 306224694 /nfs/dbraw/zinc/22/46/94/306224694.db2.gz GWGJEBKWPIAMQV-BPQIPLTHSA-N 2 1 330.476 1.948 20 0 EDADMP O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000557177770 306225650 /nfs/dbraw/zinc/22/56/50/306225650.db2.gz ULZKXEZLZFRPFP-ULQDDVLXSA-N 2 1 338.496 1.319 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000557184120 306225738 /nfs/dbraw/zinc/22/57/38/306225738.db2.gz LFPLLDLDNZFEDC-TWMKSMIVSA-N 2 1 336.480 1.166 20 0 EDADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000414958866 447374378 /nfs/dbraw/zinc/37/43/78/447374378.db2.gz DSLODEKOHGIVMM-YSVLISHTSA-N 2 1 344.459 1.588 20 0 EDADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CNCCN1C ZINC000414970407 447378521 /nfs/dbraw/zinc/37/85/21/447378521.db2.gz GPRDKQHJHNOWFM-CYBMUJFWSA-N 2 1 347.415 1.221 20 0 EDADMP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000449707194 447387527 /nfs/dbraw/zinc/38/75/27/447387527.db2.gz CXOCQYWAIBNJNK-WMZOPIPTSA-N 2 1 349.450 1.532 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000378209538 447407993 /nfs/dbraw/zinc/40/79/93/447407993.db2.gz ZLWOHTLLYLOYDJ-SQNIBIBYSA-N 2 1 330.476 1.219 20 0 EDADMP CC[NH+]1CCC[C@H]1CNc1cc(NC[C@@H]2CCC[N@@H+]2CC)ncn1 ZINC000450219838 447435229 /nfs/dbraw/zinc/43/52/29/447435229.db2.gz XFSZSYFNQDMTAH-HOTGVXAUSA-N 2 1 332.496 2.269 20 0 EDADMP CC[NH+]1CCC(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000105084313 441231141 /nfs/dbraw/zinc/23/11/41/441231141.db2.gz AERNVOFMMYJNNA-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP CC[NH+]1CCC(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000105084313 441231144 /nfs/dbraw/zinc/23/11/44/441231144.db2.gz AERNVOFMMYJNNA-UHFFFAOYSA-N 2 1 339.528 1.138 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000105147272 441238749 /nfs/dbraw/zinc/23/87/49/441238749.db2.gz VUJFNBHRUPNKPR-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105147272 441238752 /nfs/dbraw/zinc/23/87/52/441238752.db2.gz VUJFNBHRUPNKPR-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP COCC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000105147272 441238755 /nfs/dbraw/zinc/23/87/55/441238755.db2.gz VUJFNBHRUPNKPR-INIZCTEOSA-N 2 1 328.501 1.374 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000062506548 441303971 /nfs/dbraw/zinc/30/39/71/441303971.db2.gz ONIJRFHBAVBJOM-MRXNPFEDSA-N 2 1 348.491 1.658 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000073776424 441352554 /nfs/dbraw/zinc/35/25/54/441352554.db2.gz CWLOUKOJHLTUHF-INIZCTEOSA-N 2 1 337.468 1.334 20 0 EDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000106543136 441353759 /nfs/dbraw/zinc/35/37/59/441353759.db2.gz AFCIIIDCXKMMLC-QGZVFWFLSA-N 2 1 347.507 1.054 20 0 EDADMP C[C@H](CN1CCN(C)CC1)NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000106543136 441353761 /nfs/dbraw/zinc/35/37/61/441353761.db2.gz AFCIIIDCXKMMLC-QGZVFWFLSA-N 2 1 347.507 1.054 20 0 EDADMP C[C@@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[N@@H+]1CCCC[C@H]1C ZINC000083700711 441369358 /nfs/dbraw/zinc/36/93/58/441369358.db2.gz NREOZVZYOWDXFP-KGLIPLIRSA-N 2 1 336.484 1.548 20 0 EDADMP C[C@@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[N@H+]1CCCC[C@H]1C ZINC000083700711 441369362 /nfs/dbraw/zinc/36/93/62/441369362.db2.gz NREOZVZYOWDXFP-KGLIPLIRSA-N 2 1 336.484 1.548 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)COCc3ccccc3)C2)CC1 ZINC000107369917 441413017 /nfs/dbraw/zinc/41/30/17/441413017.db2.gz QDGPJTAVOJPSBX-UXHICEINSA-N 2 1 347.503 1.276 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000074176953 441403764 /nfs/dbraw/zinc/40/37/64/441403764.db2.gz QWYWFXBOEJSTFD-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000074176953 441403769 /nfs/dbraw/zinc/40/37/69/441403769.db2.gz QWYWFXBOEJSTFD-MSOLQXFVSA-N 2 1 330.476 1.989 20 0 EDADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[NH+](C)CC1 ZINC000109948746 441512276 /nfs/dbraw/zinc/51/22/76/441512276.db2.gz DSMRZHROUYMCOQ-UHFFFAOYSA-N 2 1 332.492 1.390 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[NH+](C)CC1 ZINC000109948746 441512280 /nfs/dbraw/zinc/51/22/80/441512280.db2.gz DSMRZHROUYMCOQ-UHFFFAOYSA-N 2 1 332.492 1.390 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030944459 441507944 /nfs/dbraw/zinc/50/79/44/441507944.db2.gz SLLJOVMREFFAMT-LJQANCHMSA-N 2 1 345.487 1.737 20 0 EDADMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030944459 441507947 /nfs/dbraw/zinc/50/79/47/441507947.db2.gz SLLJOVMREFFAMT-LJQANCHMSA-N 2 1 345.487 1.737 20 0 EDADMP Cc1ccc([C@H](CNC(=O)CN2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000109960092 441512022 /nfs/dbraw/zinc/51/20/22/441512022.db2.gz VBEUYKHWZCUEAR-IBGZPJMESA-N 2 1 344.503 1.496 20 0 EDADMP CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066898324 441580687 /nfs/dbraw/zinc/58/06/87/441580687.db2.gz JAJVGLCSYLQAPP-HLLBOEOZSA-N 2 1 325.497 1.721 20 0 EDADMP CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066898324 441580690 /nfs/dbraw/zinc/58/06/90/441580690.db2.gz JAJVGLCSYLQAPP-HLLBOEOZSA-N 2 1 325.497 1.721 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)CC[C@@H]2C)C1 ZINC000076150022 441604141 /nfs/dbraw/zinc/60/41/41/441604141.db2.gz CZAPKEUITVQTKU-IXDOHACOSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)C1 ZINC000076150022 441604147 /nfs/dbraw/zinc/60/41/47/441604147.db2.gz CZAPKEUITVQTKU-IXDOHACOSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](C)CC[C@@H]2C)C1 ZINC000076150022 441604151 /nfs/dbraw/zinc/60/41/51/441604151.db2.gz CZAPKEUITVQTKU-IXDOHACOSA-N 2 1 325.497 1.580 20 0 EDADMP COCCN(CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000090965316 441645782 /nfs/dbraw/zinc/64/57/82/441645782.db2.gz WMDASTKCCMTSSL-CABCVRRESA-N 2 1 329.485 1.800 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000076432673 441646852 /nfs/dbraw/zinc/64/68/52/441646852.db2.gz RPQNIJLSSPNFEK-LJQANCHMSA-N 2 1 345.487 1.532 20 0 EDADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000076432673 441646855 /nfs/dbraw/zinc/64/68/55/441646855.db2.gz RPQNIJLSSPNFEK-LJQANCHMSA-N 2 1 345.487 1.532 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(CO)CC1 ZINC000076991984 441704597 /nfs/dbraw/zinc/70/45/97/441704597.db2.gz DALBFRMNUANWIS-LPHOPBHVSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(CO)CC1 ZINC000076991984 441704604 /nfs/dbraw/zinc/70/46/04/441704604.db2.gz DALBFRMNUANWIS-LPHOPBHVSA-N 2 1 345.487 1.470 20 0 EDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC[C@@H]21 ZINC000158742724 441760205 /nfs/dbraw/zinc/76/02/05/441760205.db2.gz GLMKCUFINDJOBK-GJZGRUSLSA-N 2 1 334.464 1.267 20 0 EDADMP C[N@H+]1CCC[C@H]2C[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC[C@@H]21 ZINC000158742724 441760211 /nfs/dbraw/zinc/76/02/11/441760211.db2.gz GLMKCUFINDJOBK-GJZGRUSLSA-N 2 1 334.464 1.267 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@H+](CCN3C(=O)NC4(CCCC4)C3=O)CC[C@@H]21 ZINC000158742724 441760217 /nfs/dbraw/zinc/76/02/17/441760217.db2.gz GLMKCUFINDJOBK-GJZGRUSLSA-N 2 1 334.464 1.267 20 0 EDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCN3C(=O)NC4(CCCC4)C3=O)CC[C@@H]21 ZINC000158742724 441760221 /nfs/dbraw/zinc/76/02/21/441760221.db2.gz GLMKCUFINDJOBK-GJZGRUSLSA-N 2 1 334.464 1.267 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC([NH+](C)C)C3)cc2)C[C@@H](C)O1 ZINC000158318803 441724060 /nfs/dbraw/zinc/72/40/60/441724060.db2.gz UHKYMIVPMWKVTB-HUUCEWRRSA-N 2 1 331.460 1.682 20 0 EDADMP Cc1cccc(N2CCC(NC(=O)N3CC[C@H]([NH+](C)C)C3)CC2)[nH+]1 ZINC000117057452 441864486 /nfs/dbraw/zinc/86/44/86/441864486.db2.gz FWDNFEHUHKUZQD-INIZCTEOSA-N 2 1 331.464 1.704 20 0 EDADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000077662687 441825035 /nfs/dbraw/zinc/82/50/35/441825035.db2.gz PWWSHKWOOLZKEY-HNNXBMFYSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000068591695 441828670 /nfs/dbraw/zinc/82/86/70/441828670.db2.gz BPWZYJQRAPOCRM-LSDHHAIUSA-N 2 1 326.485 1.221 20 0 EDADMP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000077754333 441848821 /nfs/dbraw/zinc/84/88/21/441848821.db2.gz DUDHHHMUSMVHEO-QGZVFWFLSA-N 2 1 346.475 1.017 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000077760090 441850575 /nfs/dbraw/zinc/85/05/75/441850575.db2.gz DMWVVBUQBCTMLI-SJORKVTESA-N 2 1 338.496 1.223 20 0 EDADMP CC(C)[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000077760090 441850576 /nfs/dbraw/zinc/85/05/76/441850576.db2.gz DMWVVBUQBCTMLI-SJORKVTESA-N 2 1 338.496 1.223 20 0 EDADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2nc[nH]n2)CC1 ZINC000119026135 441914102 /nfs/dbraw/zinc/91/41/02/441914102.db2.gz YZKBBWRRNABSNK-UHFFFAOYSA-N 2 1 328.464 1.669 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000174130976 441891117 /nfs/dbraw/zinc/89/11/17/441891117.db2.gz HRIWVLBVHGGQQK-GOSISDBHSA-N 2 1 345.491 1.830 20 0 EDADMP CCc1ccc([C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[NH+](C)C)cc1 ZINC000174451875 441926150 /nfs/dbraw/zinc/92/61/50/441926150.db2.gz WZYQFFQENTYKMI-ZWKOTPCHSA-N 2 1 333.476 1.689 20 0 EDADMP CCc1ccc([C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[NH+](C)C)cc1 ZINC000174451875 441926154 /nfs/dbraw/zinc/92/61/54/441926154.db2.gz WZYQFFQENTYKMI-ZWKOTPCHSA-N 2 1 333.476 1.689 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000079093359 442018194 /nfs/dbraw/zinc/01/81/94/442018194.db2.gz PMOJYYORIOCTTA-YYIAUSFCSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000079093359 442018199 /nfs/dbraw/zinc/01/81/99/442018199.db2.gz PMOJYYORIOCTTA-YYIAUSFCSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000079093359 442018205 /nfs/dbraw/zinc/01/82/05/442018205.db2.gz PMOJYYORIOCTTA-YYIAUSFCSA-N 2 1 338.496 1.412 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000080049971 442110136 /nfs/dbraw/zinc/11/01/36/442110136.db2.gz LHCCWHLVEDCYGN-IRXDYDNUSA-N 2 1 338.496 1.225 20 0 EDADMP Cc1[nH+]ccn1CCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000080053167 442110918 /nfs/dbraw/zinc/11/09/18/442110918.db2.gz SSNJRAJHEUPFOV-UHFFFAOYSA-N 2 1 349.479 1.335 20 0 EDADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1CCC1 ZINC000120863979 442143111 /nfs/dbraw/zinc/14/31/11/442143111.db2.gz YPMBODRIXUZERO-MRXNPFEDSA-N 2 1 331.526 1.464 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1CCC1 ZINC000120863979 442143114 /nfs/dbraw/zinc/14/31/14/442143114.db2.gz YPMBODRIXUZERO-MRXNPFEDSA-N 2 1 331.526 1.464 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000096568067 442146789 /nfs/dbraw/zinc/14/67/89/442146789.db2.gz KNGWAHYTGYHCQH-UHFFFAOYSA-N 2 1 333.476 1.981 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000163452289 442166204 /nfs/dbraw/zinc/16/62/04/442166204.db2.gz RAZRGELUCUJLQA-INIZCTEOSA-N 2 1 328.501 1.184 20 0 EDADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000163554085 442173818 /nfs/dbraw/zinc/17/38/18/442173818.db2.gz GREBIWXKNKJBCP-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CCN(C)CC2)C12CCCCC2 ZINC000121138088 442181822 /nfs/dbraw/zinc/18/18/22/442181822.db2.gz DPGLYICQZAVNPP-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121165038 442185069 /nfs/dbraw/zinc/18/50/69/442185069.db2.gz BSSLIFJDBGJUQF-LJQANCHMSA-N 2 1 344.503 1.214 20 0 EDADMP CN(CC(=O)N1CC[NH+](C)CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121165038 442185072 /nfs/dbraw/zinc/18/50/72/442185072.db2.gz BSSLIFJDBGJUQF-LJQANCHMSA-N 2 1 344.503 1.214 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000152343701 442200488 /nfs/dbraw/zinc/20/04/88/442200488.db2.gz PNLHIWHFXBMJKQ-UHFFFAOYSA-N 2 1 348.491 1.691 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000152343701 442200490 /nfs/dbraw/zinc/20/04/90/442200490.db2.gz PNLHIWHFXBMJKQ-UHFFFAOYSA-N 2 1 348.491 1.691 20 0 EDADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152476221 442217634 /nfs/dbraw/zinc/21/76/34/442217634.db2.gz GEBSKKDUMAJSRD-ZIAGYGMSSA-N 2 1 337.489 1.730 20 0 EDADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCN2CCOCC2(C)C)C1 ZINC000176583875 442236799 /nfs/dbraw/zinc/23/67/99/442236799.db2.gz QQGRVHNCCGEDTG-CABCVRRESA-N 2 1 326.485 1.125 20 0 EDADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000128095436 442245125 /nfs/dbraw/zinc/24/51/25/442245125.db2.gz RZCUNVHWGKGNCK-KRWDZBQOSA-N 2 1 344.503 1.832 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000128450471 442266799 /nfs/dbraw/zinc/26/67/99/442266799.db2.gz IAFIGXDFOLFBEE-MRXNPFEDSA-N 2 1 343.537 1.429 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1cccs1 ZINC000153241171 442270076 /nfs/dbraw/zinc/27/00/76/442270076.db2.gz UDJSVRMPEAUBDX-CHWSQXEVSA-N 2 1 327.519 1.904 20 0 EDADMP C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1)[NH+]1CCSCC1 ZINC000154094642 442321492 /nfs/dbraw/zinc/32/14/92/442321492.db2.gz YGPRUYIHMZBFBQ-LSDHHAIUSA-N 2 1 325.522 1.899 20 0 EDADMP C[C@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1)[NH+]1CCSCC1 ZINC000154094642 442321493 /nfs/dbraw/zinc/32/14/93/442321493.db2.gz YGPRUYIHMZBFBQ-LSDHHAIUSA-N 2 1 325.522 1.899 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171212086 442328767 /nfs/dbraw/zinc/32/87/67/442328767.db2.gz UORPKCFBDLFCHS-UHFFFAOYSA-N 2 1 326.485 1.082 20 0 EDADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)NC(=O)NC1CCCC1 ZINC000171389155 442344906 /nfs/dbraw/zinc/34/49/06/442344906.db2.gz XKEDVMIVSTXINZ-UHFFFAOYSA-N 2 1 336.480 1.563 20 0 EDADMP Cc1nn(C)c2ncc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc12 ZINC000130380573 442345158 /nfs/dbraw/zinc/34/51/58/442345158.db2.gz UVCXAUSHDGDMQJ-OAHLLOKOSA-N 2 1 343.475 1.867 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C[C@@H]3CC[NH2+]C3)c2)CCO1 ZINC000130548894 442348823 /nfs/dbraw/zinc/34/88/23/442348823.db2.gz CXFZYTBVHLNVPH-RDJZCZTQSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C[C@@H]3CC[NH2+]C3)c2)CCO1 ZINC000130548894 442348825 /nfs/dbraw/zinc/34/88/25/442348825.db2.gz CXFZYTBVHLNVPH-RDJZCZTQSA-N 2 1 331.460 1.523 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000133207082 442408814 /nfs/dbraw/zinc/40/88/14/442408814.db2.gz AKQPOTRVQYFYJN-MOPGFXCFSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000133207082 442408815 /nfs/dbraw/zinc/40/88/15/442408815.db2.gz AKQPOTRVQYFYJN-MOPGFXCFSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000133207082 442408816 /nfs/dbraw/zinc/40/88/16/442408816.db2.gz AKQPOTRVQYFYJN-MOPGFXCFSA-N 2 1 343.471 1.488 20 0 EDADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133207082 442408819 /nfs/dbraw/zinc/40/88/19/442408819.db2.gz AKQPOTRVQYFYJN-MOPGFXCFSA-N 2 1 343.471 1.488 20 0 EDADMP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccccc1 ZINC000172386400 442453380 /nfs/dbraw/zinc/45/33/80/442453380.db2.gz JXMNDXXVYOZRGJ-LJQANCHMSA-N 2 1 345.487 1.860 20 0 EDADMP C[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000156609310 442501202 /nfs/dbraw/zinc/50/12/02/442501202.db2.gz NMMIIVIKSRFTLR-MRXNPFEDSA-N 2 1 348.491 1.516 20 0 EDADMP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000186298108 442506426 /nfs/dbraw/zinc/50/64/26/442506426.db2.gz BSFUZAJVTIFOSN-UHFFFAOYSA-N 2 1 330.432 1.948 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)NCC3=CC[NH2+]CC3)cc2)CC1 ZINC000186309504 442509344 /nfs/dbraw/zinc/50/93/44/442509344.db2.gz MSDDCBWCVHAGFO-UHFFFAOYSA-N 2 1 328.460 1.084 20 0 EDADMP CO[C@]1(C)C[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000134381534 442476005 /nfs/dbraw/zinc/47/60/05/442476005.db2.gz CADMDPAQIDFLDS-CRAIPNDOSA-N 2 1 333.480 1.522 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)NC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000157074326 442547408 /nfs/dbraw/zinc/54/74/08/442547408.db2.gz RFZBQXOGHUHVNA-GDBMZVCRSA-N 2 1 332.448 1.556 20 0 EDADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)NC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000157074326 442547412 /nfs/dbraw/zinc/54/74/12/442547412.db2.gz RFZBQXOGHUHVNA-GDBMZVCRSA-N 2 1 332.448 1.556 20 0 EDADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)NC(N)=O)CC[NH+]1Cc1ccccc1 ZINC000157074326 442547416 /nfs/dbraw/zinc/54/74/16/442547416.db2.gz RFZBQXOGHUHVNA-GDBMZVCRSA-N 2 1 332.448 1.556 20 0 EDADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)NC(N)=O)CC[NH+]1Cc1ccccc1 ZINC000157074326 442547419 /nfs/dbraw/zinc/54/74/19/442547419.db2.gz RFZBQXOGHUHVNA-GDBMZVCRSA-N 2 1 332.448 1.556 20 0 EDADMP COC1(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CC[NH2+]CC1 ZINC000178880250 442511876 /nfs/dbraw/zinc/51/18/76/442511876.db2.gz JCJWFRMRPVXIIY-UHFFFAOYSA-N 2 1 332.448 1.244 20 0 EDADMP O=C1OCC[C@@]12CCC[NH+]2CCCC[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186631643 442578265 /nfs/dbraw/zinc/57/82/65/442578265.db2.gz HJGZJGHSQHMFGY-ROUUACIJSA-N 2 1 336.432 1.330 20 0 EDADMP CC[C@@]1(CO)CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000187576651 442681742 /nfs/dbraw/zinc/68/17/42/442681742.db2.gz XSPFTAJDVJCQEV-AZUAARDMSA-N 2 1 347.503 1.890 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](Cn3ccnn3)C2)CC1 ZINC000192776681 442685466 /nfs/dbraw/zinc/68/54/66/442685466.db2.gz LKHKURRZONBJCV-SFHVURJKSA-N 2 1 334.512 1.406 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000193291844 442730289 /nfs/dbraw/zinc/73/02/89/442730289.db2.gz BZOURDUEYBEVIG-QGZVFWFLSA-N 2 1 342.528 1.572 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+][C@H](C)C3)cc2F)CC1 ZINC000188382141 442745079 /nfs/dbraw/zinc/74/50/79/442745079.db2.gz CQNQTQXMLNEMQU-CQSZACIVSA-N 2 1 334.439 1.402 20 0 EDADMP CCCCO[C@@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000181687427 442709694 /nfs/dbraw/zinc/70/96/94/442709694.db2.gz PRBCDMPBYJUCHP-JKSUJKDBSA-N 2 1 325.497 1.724 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000246508860 442788163 /nfs/dbraw/zinc/78/81/63/442788163.db2.gz WYPSUQSXXIPAIJ-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000246508860 442788168 /nfs/dbraw/zinc/78/81/68/442788168.db2.gz WYPSUQSXXIPAIJ-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246726101 442808316 /nfs/dbraw/zinc/80/83/16/442808316.db2.gz XBHXEMASVKEACF-GDBMZVCRSA-N 2 1 326.485 1.079 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000182830141 442832456 /nfs/dbraw/zinc/83/24/56/442832456.db2.gz RCCANAGUJRDDSF-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182830141 442832460 /nfs/dbraw/zinc/83/24/60/442832460.db2.gz RCCANAGUJRDDSF-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182830141 442832465 /nfs/dbraw/zinc/83/24/65/442832465.db2.gz RCCANAGUJRDDSF-QGZVFWFLSA-N 2 1 339.528 1.140 20 0 EDADMP C[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000247076033 442833406 /nfs/dbraw/zinc/83/34/06/442833406.db2.gz HWXCNQLVLSYCJK-APWZRJJASA-N 2 1 345.487 1.642 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000247076033 442833409 /nfs/dbraw/zinc/83/34/09/442833409.db2.gz HWXCNQLVLSYCJK-APWZRJJASA-N 2 1 345.487 1.642 20 0 EDADMP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000247076054 442833756 /nfs/dbraw/zinc/83/37/56/442833756.db2.gz HWXCNQLVLSYCJK-LPHOPBHVSA-N 2 1 345.487 1.642 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000247076054 442833759 /nfs/dbraw/zinc/83/37/59/442833759.db2.gz HWXCNQLVLSYCJK-LPHOPBHVSA-N 2 1 345.487 1.642 20 0 EDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)cc1 ZINC000188846034 442826065 /nfs/dbraw/zinc/82/60/65/442826065.db2.gz SVCZEOWFWXUAGD-DOTOQJQBSA-N 2 1 335.423 1.430 20 0 EDADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)cc1 ZINC000188846034 442826070 /nfs/dbraw/zinc/82/60/70/442826070.db2.gz SVCZEOWFWXUAGD-DOTOQJQBSA-N 2 1 335.423 1.430 20 0 EDADMP C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000247113304 442836299 /nfs/dbraw/zinc/83/62/99/442836299.db2.gz LQZKQMJWOSNIRR-HLLBOEOZSA-N 2 1 325.497 1.578 20 0 EDADMP C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000247113304 442836302 /nfs/dbraw/zinc/83/63/02/442836302.db2.gz LQZKQMJWOSNIRR-HLLBOEOZSA-N 2 1 325.497 1.578 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194090066 442844496 /nfs/dbraw/zinc/84/44/96/442844496.db2.gz BWQQWNZUMSRLOZ-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194090066 442844500 /nfs/dbraw/zinc/84/45/00/442844500.db2.gz BWQQWNZUMSRLOZ-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP C[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194090066 442844506 /nfs/dbraw/zinc/84/45/06/442844506.db2.gz BWQQWNZUMSRLOZ-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000247413749 442852696 /nfs/dbraw/zinc/85/26/96/442852696.db2.gz JQOBYFDXKRQEJL-HOTGVXAUSA-N 2 1 341.496 1.822 20 0 EDADMP C[NH+](C)C/C=C/C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000265661027 442868088 /nfs/dbraw/zinc/86/80/88/442868088.db2.gz DRWHOFDEQYNTFW-HWKANZROSA-N 2 1 346.475 1.250 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000265879932 442955475 /nfs/dbraw/zinc/95/54/75/442955475.db2.gz KHFRJCJHBGRBGM-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](C)C1(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000265879932 442955478 /nfs/dbraw/zinc/95/54/78/442955478.db2.gz KHFRJCJHBGRBGM-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP C[N@@H+](CCO)C1CCN(C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268432976 442987274 /nfs/dbraw/zinc/98/72/74/442987274.db2.gz IWVLURGKUDVWRD-MRXNPFEDSA-N 2 1 347.459 1.296 20 0 EDADMP Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)c(C)c1 ZINC000265981669 442992924 /nfs/dbraw/zinc/99/29/24/442992924.db2.gz BMIHMDPJAMKVAX-MOPGFXCFSA-N 2 1 348.487 1.697 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)NC2CC2)cc1 ZINC000183679508 442952441 /nfs/dbraw/zinc/95/24/41/442952441.db2.gz YVTOYKDPLAERGT-GFCCVEGCSA-N 2 1 341.415 1.820 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000236663139 443143153 /nfs/dbraw/zinc/14/31/53/443143153.db2.gz MJVJXGIQGGSUCL-IAGOWNOFSA-N 2 1 341.496 1.008 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000266578922 443174649 /nfs/dbraw/zinc/17/46/49/443174649.db2.gz WZDPTIBIEHEZGS-CQSZACIVSA-N 2 1 342.509 1.618 20 0 EDADMP CC[C@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000236961359 443153441 /nfs/dbraw/zinc/15/34/41/443153441.db2.gz CHOPOWMPGGYOML-INIZCTEOSA-N 2 1 332.448 1.069 20 0 EDADMP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CN1CCOCC1 ZINC000304316049 318917670 /nfs/dbraw/zinc/91/76/70/318917670.db2.gz LCSNQWNSNBCXFI-FQEVSTJZSA-N 2 1 347.503 1.324 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000269231688 443242402 /nfs/dbraw/zinc/24/24/02/443242402.db2.gz CWRPMOJIWLIYGL-HOTGVXAUSA-N 2 1 330.432 1.217 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000269231688 443242406 /nfs/dbraw/zinc/24/24/06/443242406.db2.gz CWRPMOJIWLIYGL-HOTGVXAUSA-N 2 1 330.432 1.217 20 0 EDADMP CC(C)[C@@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000262576953 443200458 /nfs/dbraw/zinc/20/04/58/443200458.db2.gz KXFBTIOJLBNPFK-NCOADZHNSA-N 2 1 325.497 1.626 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000357157833 319111538 /nfs/dbraw/zinc/11/15/38/319111538.db2.gz FKSJNTQTFSRGMC-GFCCVEGCSA-N 2 1 332.452 1.683 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1nc(C(C)(C)[NH3+])no1 ZINC000382769547 319125136 /nfs/dbraw/zinc/12/51/36/319125136.db2.gz ZTDILIYEYGAXTI-AWEZNQCLSA-N 2 1 329.448 1.970 20 0 EDADMP C[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000266815027 443253542 /nfs/dbraw/zinc/25/35/42/443253542.db2.gz DOYVNMABKQVSGD-INIZCTEOSA-N 2 1 333.476 1.470 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414188393 319318211 /nfs/dbraw/zinc/31/82/11/319318211.db2.gz QQKBATOEXHMFCG-CABCVRRESA-N 2 1 339.505 1.977 20 0 EDADMP C[N@@H+](CCOc1ccccc1Cl)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414673143 319339149 /nfs/dbraw/zinc/33/91/49/319339149.db2.gz BVBGMYUHECXYLP-CQSZACIVSA-N 2 1 339.867 1.848 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCCC2(C)C)c1 ZINC000415294846 319360224 /nfs/dbraw/zinc/36/02/24/319360224.db2.gz KYPKMAFFPJZJDR-UHFFFAOYSA-N 2 1 332.448 1.335 20 0 EDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N(C)CC[NH3+])c2C1 ZINC000415875283 319381084 /nfs/dbraw/zinc/38/10/84/319381084.db2.gz CUAINLSATAVFEI-ZDUSSCGKSA-N 2 1 332.448 1.402 20 0 EDADMP C[C@@H](CNC(=O)Nc1ccc(OCC[NH3+])cc1)C[NH+]1CCOCC1 ZINC000415939780 319383850 /nfs/dbraw/zinc/38/38/50/319383850.db2.gz RHKBAMRJQJCAQZ-AWEZNQCLSA-N 2 1 336.436 1.114 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000415962200 319385753 /nfs/dbraw/zinc/38/57/53/319385753.db2.gz WUBYUBLYSSPSIC-GJZGRUSLSA-N 2 1 334.464 1.715 20 0 EDADMP CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415984373 319387552 /nfs/dbraw/zinc/38/75/52/319387552.db2.gz PHNRUXZOXUOZRB-UHFFFAOYSA-N 2 1 347.507 1.944 20 0 EDADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000269273684 443261707 /nfs/dbraw/zinc/26/17/07/443261707.db2.gz VFKCNTHPUAUFSG-SFHVURJKSA-N 2 1 343.471 1.462 20 0 EDADMP COCC1(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[NH2+]CC1 ZINC000416805086 319461500 /nfs/dbraw/zinc/46/15/00/319461500.db2.gz DOPYTKQIICZBQI-CQSZACIVSA-N 2 1 338.452 1.198 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000416912959 319472793 /nfs/dbraw/zinc/47/27/93/319472793.db2.gz DGOVVTQLRGOKHF-KLHDSHLOSA-N 2 1 340.512 1.691 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000416916098 319473750 /nfs/dbraw/zinc/47/37/50/319473750.db2.gz HHQQTDPFKNBIBN-HESLUPGFSA-N 2 1 326.485 1.443 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000416937060 319479123 /nfs/dbraw/zinc/47/91/23/319479123.db2.gz IOORIZYXMATSQI-ARFHVFGLSA-N 2 1 326.485 1.173 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000272490589 443337292 /nfs/dbraw/zinc/33/72/92/443337292.db2.gz CCGRYVICRJNSGO-UKBAYJJMSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H]([C@H](C)O)C1 ZINC000272490589 443337296 /nfs/dbraw/zinc/33/72/96/443337296.db2.gz CCGRYVICRJNSGO-UKBAYJJMSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H]([C@H](C)O)C1 ZINC000272490589 443337300 /nfs/dbraw/zinc/33/73/00/443337300.db2.gz CCGRYVICRJNSGO-UKBAYJJMSA-N 2 1 345.487 1.468 20 0 EDADMP C[NH+](C)CCOc1ccc(CCNC(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000264891079 443469116 /nfs/dbraw/zinc/46/91/16/443469116.db2.gz SJMZUTOWMRKNEY-UHFFFAOYSA-N 2 1 348.491 1.563 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000283170053 443547822 /nfs/dbraw/zinc/54/78/22/443547822.db2.gz PLSWFHWIYOIXHP-JKSUJKDBSA-N 2 1 335.448 1.332 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000283170053 443547826 /nfs/dbraw/zinc/54/78/26/443547826.db2.gz PLSWFHWIYOIXHP-JKSUJKDBSA-N 2 1 335.448 1.332 20 0 EDADMP Cc1nccc(N2CCN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2)n1 ZINC000274252056 443600197 /nfs/dbraw/zinc/60/01/97/443600197.db2.gz SXSDFVRPWBNUJH-XJKSGUPXSA-N 2 1 344.463 1.099 20 0 EDADMP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000433178477 319974452 /nfs/dbraw/zinc/97/44/52/319974452.db2.gz WMTXTKIRJZIXHR-KRWDZBQOSA-N 2 1 346.475 1.173 20 0 EDADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440274413 320067899 /nfs/dbraw/zinc/06/78/99/320067899.db2.gz TZFGHSSUHKGOKP-SJORKVTESA-N 2 1 325.497 1.866 20 0 EDADMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444267323 320123125 /nfs/dbraw/zinc/12/31/25/320123125.db2.gz JZUKRARQVVTNBO-HKUYNNGSSA-N 2 1 346.450 1.064 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH2+]C[C@H]3C)C2)cc(OC)c1 ZINC000449364038 320184297 /nfs/dbraw/zinc/18/42/97/320184297.db2.gz PIGFWMPXGMGGQX-QIIPPGSGSA-N 2 1 347.459 1.250 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH2+]C[C@H]3C)C2)cc(OC)c1 ZINC000449364038 320184298 /nfs/dbraw/zinc/18/42/98/320184298.db2.gz PIGFWMPXGMGGQX-QIIPPGSGSA-N 2 1 347.459 1.250 20 0 EDADMP [NH3+]C[C@H]1CC[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000449714832 320201350 /nfs/dbraw/zinc/20/13/50/320201350.db2.gz AESYBEKLECUOPL-ROUUACIJSA-N 2 1 330.476 1.048 20 0 EDADMP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000450242572 320216076 /nfs/dbraw/zinc/21/60/76/320216076.db2.gz LRYKSZLWTKLDCL-MSOLQXFVSA-N 2 1 337.508 1.747 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000452123779 320243422 /nfs/dbraw/zinc/24/34/22/320243422.db2.gz IJXUJGDGMUUHEL-IBGZPJMESA-N 2 1 346.519 1.197 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC3CC[NH+](CC4CCCC4)CC3)C[C@@H]21 ZINC000454410506 320287759 /nfs/dbraw/zinc/28/77/59/320287759.db2.gz UGYWGAPXEXIKBF-AEFFLSMTSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459314859 320346195 /nfs/dbraw/zinc/34/61/95/320346195.db2.gz PFKLYEVITOATQS-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459314859 320346196 /nfs/dbraw/zinc/34/61/96/320346196.db2.gz PFKLYEVITOATQS-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459314859 320346197 /nfs/dbraw/zinc/34/61/97/320346197.db2.gz PFKLYEVITOATQS-SJORKVTESA-N 2 1 339.528 1.044 20 0 EDADMP CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](CC)CC2)[C@H]1SC ZINC000459381234 320347895 /nfs/dbraw/zinc/34/78/95/320347895.db2.gz USUKYTOZFPOZTB-BRWVUGGUSA-N 2 1 329.554 1.903 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CC(C)(C)C2)C1 ZINC000459738008 320349349 /nfs/dbraw/zinc/34/93/49/320349349.db2.gz JAYHQZYGYBATBA-MRXNPFEDSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2CC(C)(C)C2)C1 ZINC000459738008 320349350 /nfs/dbraw/zinc/34/93/50/320349350.db2.gz JAYHQZYGYBATBA-MRXNPFEDSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C2CC(C)(C)C2)C1 ZINC000459738008 320349351 /nfs/dbraw/zinc/34/93/51/320349351.db2.gz JAYHQZYGYBATBA-MRXNPFEDSA-N 2 1 325.497 1.580 20 0 EDADMP CC(C)[C@@H](CN(C)C(=O)C[NH+](C)C(C)C)NC(=O)C[N@@H+](C)C(C)C ZINC000489583554 320361500 /nfs/dbraw/zinc/36/15/00/320361500.db2.gz JPURKURUSLEVHP-MRXNPFEDSA-N 2 1 342.528 1.266 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCN(C=O)CC3)c2)CCO1 ZINC000276425794 443702219 /nfs/dbraw/zinc/70/22/19/443702219.db2.gz JBDAEAFJJZCOFF-MRXNPFEDSA-N 2 1 331.460 1.618 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCN(C=O)CC3)c2)CCO1 ZINC000276425794 443702220 /nfs/dbraw/zinc/70/22/20/443702220.db2.gz JBDAEAFJJZCOFF-MRXNPFEDSA-N 2 1 331.460 1.618 20 0 EDADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000276424539 443702544 /nfs/dbraw/zinc/70/25/44/443702544.db2.gz LMROFNYUPKKRCQ-WMZOPIPTSA-N 2 1 347.507 1.885 20 0 EDADMP O[C@@H](CNC1CC[NH+](C2CC2)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000298228557 443725898 /nfs/dbraw/zinc/72/58/98/443725898.db2.gz BDGGIOHYOULRPJ-FQEVSTJZSA-N 2 1 329.488 1.622 20 0 EDADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]CC2(F)CC2)c1 ZINC000526983471 320500907 /nfs/dbraw/zinc/50/09/07/320500907.db2.gz ZLGDGYBORIYVET-UHFFFAOYSA-N 2 1 335.423 1.939 20 0 EDADMP COC(=O)CCC[NH+]1CCC(NCc2ccc(NC(C)=O)nc2)CC1 ZINC000291066028 443743906 /nfs/dbraw/zinc/74/39/06/443743906.db2.gz QKQMQWRGNJKPGR-UHFFFAOYSA-N 2 1 348.447 1.547 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000288124837 443778629 /nfs/dbraw/zinc/77/86/29/443778629.db2.gz JMDXYNHOOMRYFM-INIZCTEOSA-N 2 1 349.479 1.031 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000288124837 443778631 /nfs/dbraw/zinc/77/86/31/443778631.db2.gz JMDXYNHOOMRYFM-INIZCTEOSA-N 2 1 349.479 1.031 20 0 EDADMP COc1cc(C[NH+]2CCC[C@H](O)C2)cc(C[N@H+]2CCC[C@H](O)C2)c1 ZINC000292683259 443816677 /nfs/dbraw/zinc/81/66/77/443816677.db2.gz RHGNPFSTBCNEHC-ROUUACIJSA-N 2 1 334.460 1.609 20 0 EDADMP CC(C)OC[C@H](O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285336221 443946241 /nfs/dbraw/zinc/94/62/41/443946241.db2.gz CHXAXXPSAUAYMW-HXUWFJFHSA-N 2 1 349.519 1.522 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000281670150 443975185 /nfs/dbraw/zinc/97/51/85/443975185.db2.gz SYGYCTKJDHBWMQ-IRXDYDNUSA-N 2 1 345.487 1.810 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000281670150 443975191 /nfs/dbraw/zinc/97/51/91/443975191.db2.gz SYGYCTKJDHBWMQ-IRXDYDNUSA-N 2 1 345.487 1.810 20 0 EDADMP Cc1ccncc1CCC[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000289124682 444058985 /nfs/dbraw/zinc/05/89/85/444058985.db2.gz OAMBKGIFWFHACM-MRXNPFEDSA-N 2 1 325.478 1.726 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000561188114 321035840 /nfs/dbraw/zinc/03/58/40/321035840.db2.gz IPWQHECRZBSDRP-BPQIPLTHSA-N 2 1 330.476 1.806 20 0 EDADMP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCc1ccc2c(c1)OCO2 ZINC000561278748 321038352 /nfs/dbraw/zinc/03/83/52/321038352.db2.gz SHZSLVGALNYHOC-CVEARBPZSA-N 2 1 345.443 1.496 20 0 EDADMP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCc1ccc2c(c1)OCO2 ZINC000561278748 321038354 /nfs/dbraw/zinc/03/83/54/321038354.db2.gz SHZSLVGALNYHOC-CVEARBPZSA-N 2 1 345.443 1.496 20 0 EDADMP Cc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000563212496 321100868 /nfs/dbraw/zinc/10/08/68/321100868.db2.gz XXZOILCUBVDUCP-HUUCEWRRSA-N 2 1 335.477 1.172 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000563212496 321100869 /nfs/dbraw/zinc/10/08/69/321100869.db2.gz XXZOILCUBVDUCP-HUUCEWRRSA-N 2 1 335.477 1.172 20 0 EDADMP [NH3+]CC(F)(F)CC(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000564461665 321133147 /nfs/dbraw/zinc/13/31/47/321133147.db2.gz FMQXSUGKOGFLCI-NSHDSACASA-N 2 1 344.431 1.598 20 0 EDADMP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000564856862 321151990 /nfs/dbraw/zinc/15/19/90/321151990.db2.gz ZAQYRGJPPWZVIW-FVQBIDKESA-N 2 1 336.432 1.285 20 0 EDADMP CN(Cc1cnc[nH]1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000565244826 321178988 /nfs/dbraw/zinc/17/89/88/321178988.db2.gz JEQMQIPRKKLYCF-MRXNPFEDSA-N 2 1 341.415 1.556 20 0 EDADMP CCC[N@@H+](C[C@H](O)CN(C)CCOC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000565549727 321191240 /nfs/dbraw/zinc/19/12/40/321191240.db2.gz PBOCQZBMMMQGLS-TWMKSMIVSA-N 2 1 328.497 1.451 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000566078709 321213540 /nfs/dbraw/zinc/21/35/40/321213540.db2.gz OXBVYWRLZPFGKJ-UHFFFAOYSA-N 2 1 334.464 1.477 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000566078709 321213542 /nfs/dbraw/zinc/21/35/42/321213542.db2.gz OXBVYWRLZPFGKJ-UHFFFAOYSA-N 2 1 334.464 1.477 20 0 EDADMP Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)nc1 ZINC000566078153 321213567 /nfs/dbraw/zinc/21/35/67/321213567.db2.gz VFPOPLRGGYVYFZ-YESZJQIVSA-N 2 1 346.475 1.902 20 0 EDADMP CN1C(=O)CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000567662854 321251992 /nfs/dbraw/zinc/25/19/92/321251992.db2.gz WWLDYNYWMHYCHI-ZJPYXAASSA-N 2 1 341.455 1.919 20 0 EDADMP CN1C(=O)CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC000567662854 321251994 /nfs/dbraw/zinc/25/19/94/321251994.db2.gz WWLDYNYWMHYCHI-ZJPYXAASSA-N 2 1 341.455 1.919 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000568060325 321275099 /nfs/dbraw/zinc/27/50/99/321275099.db2.gz BDJWBXGIGVHPTL-INIZCTEOSA-N 2 1 340.512 1.117 20 0 EDADMP C[NH+](C)CCOc1ccccc1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000569859513 321330483 /nfs/dbraw/zinc/33/04/83/321330483.db2.gz VTSTXEKLHIWPAE-JKSUJKDBSA-N 2 1 331.460 1.936 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000570030209 321334654 /nfs/dbraw/zinc/33/46/54/321334654.db2.gz YTEUQYFQZDQJNC-ROUUACIJSA-N 2 1 345.491 1.830 20 0 EDADMP COc1ccc(-c2cnc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000570070322 321336659 /nfs/dbraw/zinc/33/66/59/321336659.db2.gz MSBULXSLWUOFRB-INIZCTEOSA-N 2 1 342.443 1.830 20 0 EDADMP COc1ccc(-c2cnc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000570070322 321336661 /nfs/dbraw/zinc/33/66/61/321336661.db2.gz MSBULXSLWUOFRB-INIZCTEOSA-N 2 1 342.443 1.830 20 0 EDADMP CC(=O)c1ccc(OC[C@H](O)C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000570509847 321343570 /nfs/dbraw/zinc/34/35/70/321343570.db2.gz OWTINYDDQFQSHX-SJLPKXTDSA-N 2 1 334.460 1.950 20 0 EDADMP C[C@H](CC(=O)NC1CCN(c2[nH+]ccn2C)CC1)C1CC[NH2+]CC1 ZINC000571204470 321376602 /nfs/dbraw/zinc/37/66/02/321376602.db2.gz YDXNGKLTRBSULP-CQSZACIVSA-N 2 1 333.480 1.531 20 0 EDADMP CN(CCC[N@@H+](C)CC(=O)NCc1ccc(F)cc1)CC[NH+](C)C ZINC000289421545 444137739 /nfs/dbraw/zinc/13/77/39/444137739.db2.gz MTQNZUOIDDTKAL-UHFFFAOYSA-N 2 1 338.471 1.257 20 0 EDADMP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1O ZINC000289451368 444148113 /nfs/dbraw/zinc/14/81/13/444148113.db2.gz NDVHMOBNSDEULD-YESZJQIVSA-N 2 1 334.460 1.768 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000289570101 444173717 /nfs/dbraw/zinc/17/37/17/444173717.db2.gz AWAWMGOMQYHWNO-QFBILLFUSA-N 2 1 343.475 1.661 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000289570101 444173721 /nfs/dbraw/zinc/17/37/21/444173721.db2.gz AWAWMGOMQYHWNO-QFBILLFUSA-N 2 1 343.475 1.661 20 0 EDADMP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CN1CCOCC1 ZINC000304316052 444246852 /nfs/dbraw/zinc/24/68/52/444246852.db2.gz LCSNQWNSNBCXFI-HXUWFJFHSA-N 2 1 347.503 1.324 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000290219815 444255880 /nfs/dbraw/zinc/25/58/80/444255880.db2.gz SVQMDLNTVZUOLD-QRQLOZEOSA-N 2 1 344.503 1.701 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000290278709 444262390 /nfs/dbraw/zinc/26/23/90/444262390.db2.gz BZCBEAFIIACGJY-CQSZACIVSA-N 2 1 346.475 1.807 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000290278709 444262392 /nfs/dbraw/zinc/26/23/92/444262392.db2.gz BZCBEAFIIACGJY-CQSZACIVSA-N 2 1 346.475 1.807 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000290278709 444262393 /nfs/dbraw/zinc/26/23/93/444262393.db2.gz BZCBEAFIIACGJY-CQSZACIVSA-N 2 1 346.475 1.807 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000290278709 444262395 /nfs/dbraw/zinc/26/23/95/444262395.db2.gz BZCBEAFIIACGJY-CQSZACIVSA-N 2 1 346.475 1.807 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000290278709 444262397 /nfs/dbraw/zinc/26/23/97/444262397.db2.gz BZCBEAFIIACGJY-CQSZACIVSA-N 2 1 346.475 1.807 20 0 EDADMP O=C(NCC[NH+]1CCC(O)CC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000297076236 444271924 /nfs/dbraw/zinc/27/19/24/444271924.db2.gz VRDMCWWSKQOFJB-LJQANCHMSA-N 2 1 345.487 1.614 20 0 EDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(N2CCCC[C@H]2CO)ncn1 ZINC000302889200 444230070 /nfs/dbraw/zinc/23/00/70/444230070.db2.gz NCFQAAAYSFVTIV-CVEARBPZSA-N 2 1 333.480 1.606 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNc2cc(N3CCCC[C@H]3CO)ncn2)C1 ZINC000302918423 444231818 /nfs/dbraw/zinc/23/18/18/444231818.db2.gz XRONUSTZAJDXOO-HOTGVXAUSA-N 2 1 333.480 1.972 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCCC[C@H]2C)CC1 ZINC000303249310 444234988 /nfs/dbraw/zinc/23/49/88/444234988.db2.gz FEJVBBUTTWCLGG-CVEARBPZSA-N 2 1 325.497 1.412 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N(C)C2CCCCC2)CC1 ZINC000303277437 444236622 /nfs/dbraw/zinc/23/66/22/444236622.db2.gz LHKYLQONRYYMAC-MRXNPFEDSA-N 2 1 339.524 1.802 20 0 EDADMP Cc1cc(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)cn2ccnc12 ZINC000297102346 444274786 /nfs/dbraw/zinc/27/47/86/444274786.db2.gz WLCORIFFMWYZPT-CYBMUJFWSA-N 2 1 331.420 1.733 20 0 EDADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccn4ccnc4c3)C2)C1 ZINC000297846711 444340973 /nfs/dbraw/zinc/34/09/73/444340973.db2.gz HHPKIXBDTQOIQX-GOSISDBHSA-N 2 1 327.432 1.962 20 0 EDADMP COc1ccc2c(c1)C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CO2 ZINC000297787802 444334747 /nfs/dbraw/zinc/33/47/47/444334747.db2.gz PVVBYUVYKUWQGB-KRWDZBQOSA-N 2 1 333.476 1.616 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H]2CCCc3c(O)cccc32)C1 ZINC000340474470 444392164 /nfs/dbraw/zinc/39/21/64/444392164.db2.gz JUDLLZBKVMATLP-RHSMWYFYSA-N 2 1 331.460 1.947 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000340474470 444392170 /nfs/dbraw/zinc/39/21/70/444392170.db2.gz JUDLLZBKVMATLP-RHSMWYFYSA-N 2 1 331.460 1.947 20 0 EDADMP CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000331203969 444442700 /nfs/dbraw/zinc/44/27/00/444442700.db2.gz RSADQACCOJDPQJ-HNNXBMFYSA-N 2 1 325.478 1.511 20 0 EDADMP CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000331203969 444442703 /nfs/dbraw/zinc/44/27/03/444442703.db2.gz RSADQACCOJDPQJ-HNNXBMFYSA-N 2 1 325.478 1.511 20 0 EDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000579708518 321964017 /nfs/dbraw/zinc/96/40/17/321964017.db2.gz OXPJEPBTPZGTHE-GVDBMIGSSA-N 2 1 347.507 1.622 20 0 EDADMP C[C@@H]1CN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C[C@@H]1[NH3+] ZINC000331668399 444481833 /nfs/dbraw/zinc/48/18/33/444481833.db2.gz OAEZPBPEAXHADP-PBHICJAKSA-N 2 1 330.476 1.812 20 0 EDADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000332002545 444495499 /nfs/dbraw/zinc/49/54/99/444495499.db2.gz OEBNYFDJRNLRQE-QXSJWSMHSA-N 2 1 326.485 1.112 20 0 EDADMP C[NH+](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000332092155 444500600 /nfs/dbraw/zinc/50/06/00/444500600.db2.gz CBXLJUUIRQVGFX-GFCCVEGCSA-N 2 1 335.358 1.981 20 0 EDADMP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000581120599 322138140 /nfs/dbraw/zinc/13/81/40/322138140.db2.gz VDKAVRMUVJFKBL-ULQDDVLXSA-N 2 1 339.528 1.075 20 0 EDADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccccc2F)CCCO1 ZINC000581247061 322154033 /nfs/dbraw/zinc/15/40/33/322154033.db2.gz OFAVPPFDLZBGBH-HOTGVXAUSA-N 2 1 340.439 1.656 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)NC1CC[NH+](C2CC2)CC1 ZINC000581941620 322236043 /nfs/dbraw/zinc/23/60/43/322236043.db2.gz URKQHIOOMFDMDX-MAUKXSAKSA-N 2 1 335.492 1.620 20 0 EDADMP Cc1cc(N2CCC(NC(=O)N3CC[NH2+][C@H](C)[C@H]3C)CC2)nc(C)[nH+]1 ZINC000332540385 444518480 /nfs/dbraw/zinc/51/84/80/444518480.db2.gz KRLROZVUJBJIEC-ZIAGYGMSSA-N 2 1 346.479 1.454 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000340812982 444520833 /nfs/dbraw/zinc/52/08/33/444520833.db2.gz GCYHVFLXTASQEQ-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000340812982 444520834 /nfs/dbraw/zinc/52/08/34/444520834.db2.gz GCYHVFLXTASQEQ-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000340812982 444520837 /nfs/dbraw/zinc/52/08/37/444520837.db2.gz GCYHVFLXTASQEQ-RTBURBONSA-N 2 1 345.487 1.878 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000342220599 444571644 /nfs/dbraw/zinc/57/16/44/444571644.db2.gz BIADVSODHXRDDZ-KRWDZBQOSA-N 2 1 346.475 1.330 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@H](c3ccccc3F)C2)C1=O ZINC000340851476 444542953 /nfs/dbraw/zinc/54/29/53/444542953.db2.gz DBUPFCBUGPWOOQ-XJKSGUPXSA-N 2 1 333.407 1.304 20 0 EDADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CC[C@H](c3ccccc3F)C2)C1=O ZINC000340851476 444542957 /nfs/dbraw/zinc/54/29/57/444542957.db2.gz DBUPFCBUGPWOOQ-XJKSGUPXSA-N 2 1 333.407 1.304 20 0 EDADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338269957 444601010 /nfs/dbraw/zinc/60/10/10/444601010.db2.gz JDKVAYNOTWGYGU-KZNAEPCWSA-N 2 1 336.524 1.488 20 0 EDADMP COC(=O)[C@@H](C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000338280131 444608394 /nfs/dbraw/zinc/60/83/94/444608394.db2.gz QNILEFUNEFNTJI-MAUKXSAKSA-N 2 1 347.459 1.291 20 0 EDADMP COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338287710 444612912 /nfs/dbraw/zinc/61/29/12/444612912.db2.gz JMUCFWFUHJFILF-HZPDHXFCSA-N 2 1 339.480 1.252 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)c1 ZINC000332966009 444614134 /nfs/dbraw/zinc/61/41/34/444614134.db2.gz NOVWXWCNVFYIBM-WBVHZDCISA-N 2 1 343.475 1.704 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2)c1 ZINC000332966009 444614137 /nfs/dbraw/zinc/61/41/37/444614137.db2.gz NOVWXWCNVFYIBM-WBVHZDCISA-N 2 1 343.475 1.704 20 0 EDADMP CCOC(=O)CC(C)(C)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000343895642 444652479 /nfs/dbraw/zinc/65/24/79/444652479.db2.gz HQMRBIJPIDWOCR-UHFFFAOYSA-N 2 1 341.496 1.639 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000341120687 444684201 /nfs/dbraw/zinc/68/42/01/444684201.db2.gz KQPQENXAPBJWMU-HUUCEWRRSA-N 2 1 340.512 1.658 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341284418 444761829 /nfs/dbraw/zinc/76/18/29/444761829.db2.gz JLWXJFTZWHSSNA-MRXNPFEDSA-N 2 1 325.497 1.866 20 0 EDADMP CCCC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)C(=O)Nc1cc(C)on1 ZINC000344080168 444769739 /nfs/dbraw/zinc/76/97/39/444769739.db2.gz BFCKKXWWEBCFHP-LSDHHAIUSA-N 2 1 345.447 2.529 20 0 EDADMP CCn1cc(CN2CCCN(C(=O)c3ccnc(CN)c3)CC2)cn1 ZINC000344099259 444780504 /nfs/dbraw/zinc/78/05/04/444780504.db2.gz DYTKOEVIAGRJIS-UHFFFAOYSA-N 2 1 342.447 1.105 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000342692745 444817654 /nfs/dbraw/zinc/81/76/54/444817654.db2.gz LHYKTDOGBPOSTO-ZIAGYGMSSA-N 2 1 333.423 1.191 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)C(C)(C)C)CC2)C1 ZINC000336873143 444818376 /nfs/dbraw/zinc/81/83/76/444818376.db2.gz RTYCBGPUNGULIK-IRXDYDNUSA-N 2 1 327.513 1.120 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C1 ZINC000336873142 444818712 /nfs/dbraw/zinc/81/87/12/444818712.db2.gz RTYCBGPUNGULIK-IAGOWNOFSA-N 2 1 327.513 1.120 20 0 EDADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)NCc1ccccc1 ZINC000344194183 444833253 /nfs/dbraw/zinc/83/32/53/444833253.db2.gz ZPTZKMMQYVGZHU-UHFFFAOYSA-N 2 1 346.519 1.652 20 0 EDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)NCc1ccccc1 ZINC000344194183 444833256 /nfs/dbraw/zinc/83/32/56/444833256.db2.gz ZPTZKMMQYVGZHU-UHFFFAOYSA-N 2 1 346.519 1.652 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000341566345 444897970 /nfs/dbraw/zinc/89/79/70/444897970.db2.gz QOFIGMVZQLUGNN-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP COc1ccccc1[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000337066064 444926239 /nfs/dbraw/zinc/92/62/39/444926239.db2.gz JXQQQNGPGUNOAN-BQFCYCMXSA-N 2 1 325.412 1.648 20 0 EDADMP CC[N@@H+](CCO)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000339101086 445033139 /nfs/dbraw/zinc/03/31/39/445033139.db2.gz BQKMKWZAYQGEJY-UHFFFAOYSA-N 2 1 333.476 1.390 20 0 EDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)Cc1ccc(F)cc1 ZINC000339044851 445006194 /nfs/dbraw/zinc/00/61/94/445006194.db2.gz OSZRTIQUTGHBIA-MKXGPGLRSA-N 2 1 336.451 1.913 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC[C@@H]3OC(F)F)cn2)CC1 ZINC000337280069 445013607 /nfs/dbraw/zinc/01/36/07/445013607.db2.gz GZGNBJASCPHUNQ-KGLIPLIRSA-N 2 1 341.406 1.478 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000343090103 445054160 /nfs/dbraw/zinc/05/41/60/445054160.db2.gz GZGFMWJLWLYJBP-NXHRZFHOSA-N 2 1 330.476 1.560 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000343090103 445054165 /nfs/dbraw/zinc/05/41/65/445054165.db2.gz GZGFMWJLWLYJBP-NXHRZFHOSA-N 2 1 330.476 1.560 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000343090103 445054168 /nfs/dbraw/zinc/05/41/68/445054168.db2.gz GZGFMWJLWLYJBP-NXHRZFHOSA-N 2 1 330.476 1.560 20 0 EDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000343157054 445102789 /nfs/dbraw/zinc/10/27/89/445102789.db2.gz HXXALQQGNNYYMA-BZUAXINKSA-N 2 1 340.512 1.070 20 0 EDADMP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342092588 445167635 /nfs/dbraw/zinc/16/76/35/445167635.db2.gz VITJORRPWJUJAG-XKQJLSEDSA-N 2 1 330.432 1.643 20 0 EDADMP CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342092588 445167638 /nfs/dbraw/zinc/16/76/38/445167638.db2.gz VITJORRPWJUJAG-XKQJLSEDSA-N 2 1 330.432 1.643 20 0 EDADMP CC[NH+](CC)CCS(=O)(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000330825641 445155963 /nfs/dbraw/zinc/15/59/63/445155963.db2.gz FLNYIDNZFVWMNI-UHFFFAOYSA-N 2 1 340.493 1.184 20 0 EDADMP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000339638810 445156323 /nfs/dbraw/zinc/15/63/23/445156323.db2.gz JSRFJAMMNALLTB-KZNAEPCWSA-N 2 1 334.508 1.987 20 0 EDADMP C[C@@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+](C)Cc1ccccc1 ZINC000346016350 445204339 /nfs/dbraw/zinc/20/43/39/445204339.db2.gz SUPFTWCEAGBGKL-HNNXBMFYSA-N 2 1 329.448 1.904 20 0 EDADMP C[C@@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+](C)Cc1ccccc1 ZINC000346016350 445204342 /nfs/dbraw/zinc/20/43/42/445204342.db2.gz SUPFTWCEAGBGKL-HNNXBMFYSA-N 2 1 329.448 1.904 20 0 EDADMP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000345709706 445197055 /nfs/dbraw/zinc/19/70/55/445197055.db2.gz FQLSOYACTOEFLL-OAGGEKHMSA-N 2 1 326.485 1.079 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000345709706 445197058 /nfs/dbraw/zinc/19/70/58/445197058.db2.gz FQLSOYACTOEFLL-OAGGEKHMSA-N 2 1 326.485 1.079 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[N@@H+](C)Cc2ccccc2)[NH+](C)C1 ZINC000346727955 445224485 /nfs/dbraw/zinc/22/44/85/445224485.db2.gz JWWSVEBXVBBSMN-ZWKOTPCHSA-N 2 1 348.491 1.479 20 0 EDADMP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[NH+](C)Cc2ccccc2)[N@@H+](C)C1 ZINC000346727955 445224488 /nfs/dbraw/zinc/22/44/88/445224488.db2.gz JWWSVEBXVBBSMN-ZWKOTPCHSA-N 2 1 348.491 1.479 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000343471185 445229147 /nfs/dbraw/zinc/22/91/47/445229147.db2.gz FDMQPKLCIHVOCF-FUHWJXTLSA-N 2 1 345.491 1.098 20 0 EDADMP CCCN(Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC[NH2+]CC1 ZINC000347025570 445229763 /nfs/dbraw/zinc/22/97/63/445229763.db2.gz SQBHUGDFBGZGDG-UHFFFAOYSA-N 2 1 332.496 1.192 20 0 EDADMP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000347193155 445233966 /nfs/dbraw/zinc/23/39/66/445233966.db2.gz JGGRWDWBDBUGBJ-IRXDYDNUSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000347193155 445233968 /nfs/dbraw/zinc/23/39/68/445233968.db2.gz JGGRWDWBDBUGBJ-IRXDYDNUSA-N 2 1 337.508 1.556 20 0 EDADMP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000347193155 445233970 /nfs/dbraw/zinc/23/39/70/445233970.db2.gz JGGRWDWBDBUGBJ-IRXDYDNUSA-N 2 1 337.508 1.556 20 0 EDADMP Cc1[nH+]ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1Cl ZINC000343514302 445237132 /nfs/dbraw/zinc/23/71/32/445237132.db2.gz DALCARXMUPIEGJ-AGUYFDCRSA-N 2 1 336.867 1.961 20 0 EDADMP COc1cc2c(cc1OC)CN(CCNC(=O)C[N@@H+](C)C(C)C)CC2 ZINC000343522361 445238134 /nfs/dbraw/zinc/23/81/34/445238134.db2.gz RJUOHQDCVYOGSN-UHFFFAOYSA-N 2 1 349.475 1.518 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[NH+](C)Cc1ccccc1 ZINC000343582636 445251112 /nfs/dbraw/zinc/25/11/12/445251112.db2.gz QULPBJWJJFROHX-WMZOPIPTSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)[N@H+](C)Cc1ccccc1 ZINC000343582636 445251115 /nfs/dbraw/zinc/25/11/15/445251115.db2.gz QULPBJWJJFROHX-WMZOPIPTSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)[N@@H+](C)Cc1ccccc1 ZINC000343582636 445251117 /nfs/dbraw/zinc/25/11/17/445251117.db2.gz QULPBJWJJFROHX-WMZOPIPTSA-N 2 1 330.476 1.013 20 0 EDADMP C[C@H](NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)C(C)(C)C[NH+](C)C ZINC000343686942 445303319 /nfs/dbraw/zinc/30/33/19/445303319.db2.gz WDTVLWSXVYWUND-AWEZNQCLSA-N 2 1 340.512 1.070 20 0 EDADMP CC[C@@H]([NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C(C)(C)C ZINC000343631175 445271769 /nfs/dbraw/zinc/27/17/69/445271769.db2.gz NKWBFSYMTOYPHV-JKSUJKDBSA-N 2 1 327.513 1.874 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@H+](C)CCC(C)(C)O)cc[nH+]1 ZINC000348160892 445294608 /nfs/dbraw/zinc/29/46/08/445294608.db2.gz UQTYOKYDSRMJOW-ZIAGYGMSSA-N 2 1 339.459 1.552 20 0 EDADMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)CCC(C)(C)O)cc[nH+]1 ZINC000348160892 445294613 /nfs/dbraw/zinc/29/46/13/445294613.db2.gz UQTYOKYDSRMJOW-ZIAGYGMSSA-N 2 1 339.459 1.552 20 0 EDADMP CC(C)[C@]1(CO)CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000354559459 445294614 /nfs/dbraw/zinc/29/46/14/445294614.db2.gz FIWFBRSLLXQOIM-LJQANCHMSA-N 2 1 347.507 1.459 20 0 EDADMP CC(C)[C@]1(CO)CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000354559459 445294617 /nfs/dbraw/zinc/29/46/17/445294617.db2.gz FIWFBRSLLXQOIM-LJQANCHMSA-N 2 1 347.507 1.459 20 0 EDADMP CC[C@@H](C(=O)NCC1(O)CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000354672220 445334548 /nfs/dbraw/zinc/33/45/48/445334548.db2.gz JWDBAMOSWZABCM-KRWDZBQOSA-N 2 1 333.476 1.470 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351847549 445342217 /nfs/dbraw/zinc/34/22/17/445342217.db2.gz AJLLHVDBNFBHFE-NVXWUHKLSA-N 2 1 333.476 1.899 20 0 EDADMP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351847549 445342220 /nfs/dbraw/zinc/34/22/20/445342220.db2.gz AJLLHVDBNFBHFE-NVXWUHKLSA-N 2 1 333.476 1.899 20 0 EDADMP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357072265 445408516 /nfs/dbraw/zinc/40/85/16/445408516.db2.gz KLRLGIHKNGQIBS-LBPRGKRZSA-N 2 1 325.375 1.085 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000362494369 445410866 /nfs/dbraw/zinc/41/08/66/445410866.db2.gz KFNOUFDQEOEGDW-WBVHZDCISA-N 2 1 342.553 1.701 20 0 EDADMP [NH3+]CCOCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000357082338 445414749 /nfs/dbraw/zinc/41/47/49/445414749.db2.gz WKBHADWQQLWHLP-UHFFFAOYSA-N 2 1 348.310 1.604 20 0 EDADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H]1C[C@H](F)CN1Cc1nccn1C ZINC000351953463 445397123 /nfs/dbraw/zinc/39/71/23/445397123.db2.gz HABPHDDILYNBKF-LSDHHAIUSA-N 2 1 339.459 1.131 20 0 EDADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354935939 445435364 /nfs/dbraw/zinc/43/53/64/445435364.db2.gz SZYNQJASKSICJY-KBPBESRZSA-N 2 1 347.442 1.589 20 0 EDADMP COCC[NH+]1CCC(NC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000348903202 445435948 /nfs/dbraw/zinc/43/59/48/445435948.db2.gz XBOLIIAWNCUHGA-UHFFFAOYSA-N 2 1 345.487 1.662 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)CCOC2C[NH2+]C2)[C@H]1c1cccs1 ZINC000348990750 445467471 /nfs/dbraw/zinc/46/74/71/445467471.db2.gz FUDKXGOKSAXPGI-GUYCJALGSA-N 2 1 337.489 1.626 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)[C@@H](C)C1 ZINC000355628891 445471385 /nfs/dbraw/zinc/47/13/85/445471385.db2.gz CTABKWFVCOQSRU-HRCADAONSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)[C@@H](C)C1 ZINC000355628891 445471387 /nfs/dbraw/zinc/47/13/87/445471387.db2.gz CTABKWFVCOQSRU-HRCADAONSA-N 2 1 340.512 1.203 20 0 EDADMP CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000362704501 445509485 /nfs/dbraw/zinc/50/94/85/445509485.db2.gz JPPIPASNCIDROF-UAGQMJEPSA-N 2 1 335.496 1.650 20 0 EDADMP C[N@H+](CCNc1cc[nH+]c(N2CCOCC2)n1)Cc1ccccc1 ZINC000352396304 445525728 /nfs/dbraw/zinc/52/57/28/445525728.db2.gz AGZYVZOCPXXIAR-UHFFFAOYSA-N 2 1 327.432 1.857 20 0 EDADMP C[N@@H+](CCNc1cc[nH+]c(N2CCOCC2)n1)Cc1ccccc1 ZINC000352396304 445525731 /nfs/dbraw/zinc/52/57/31/445525731.db2.gz AGZYVZOCPXXIAR-UHFFFAOYSA-N 2 1 327.432 1.857 20 0 EDADMP COc1cc([C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)ccc1S(C)(=O)=O ZINC000360022173 445532746 /nfs/dbraw/zinc/53/27/46/445532746.db2.gz XITOAHHHAAOTRM-GXTWGEPZSA-N 2 1 349.456 1.961 20 0 EDADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000357221046 445490216 /nfs/dbraw/zinc/49/02/16/445490216.db2.gz BPFRCNNSWHJQLK-QZTJIDSGSA-N 2 1 349.475 1.191 20 0 EDADMP C[NH+](C)CCN(Cc1ncc(C[NH+](C)C)s1)C[C@@H]1CCCO1 ZINC000349064553 445493448 /nfs/dbraw/zinc/49/34/48/445493448.db2.gz VGPUKRNQTCMPJL-AWEZNQCLSA-N 2 1 326.510 1.747 20 0 EDADMP CCCn1nc(C)c(C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)c1C ZINC000362677272 445494101 /nfs/dbraw/zinc/49/41/01/445494101.db2.gz XPGDTAMURMPXFE-MRXNPFEDSA-N 2 1 333.480 1.306 20 0 EDADMP COC(=O)[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1c1ccccc1 ZINC000352103545 445494627 /nfs/dbraw/zinc/49/46/27/445494627.db2.gz PLUQYOQCVWSHDE-RCCFBDPRSA-N 2 1 332.444 1.330 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1c1ccccc1 ZINC000352103545 445494629 /nfs/dbraw/zinc/49/46/29/445494629.db2.gz PLUQYOQCVWSHDE-RCCFBDPRSA-N 2 1 332.444 1.330 20 0 EDADMP COC(=O)[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H]1c1ccccc1 ZINC000352103545 445494633 /nfs/dbraw/zinc/49/46/33/445494633.db2.gz PLUQYOQCVWSHDE-RCCFBDPRSA-N 2 1 332.444 1.330 20 0 EDADMP COC(=O)[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H]1c1ccccc1 ZINC000352103545 445494634 /nfs/dbraw/zinc/49/46/34/445494634.db2.gz PLUQYOQCVWSHDE-RCCFBDPRSA-N 2 1 332.444 1.330 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000359948871 445501153 /nfs/dbraw/zinc/50/11/53/445501153.db2.gz IHIWUOAKBDBOIX-SJORKVTESA-N 2 1 325.497 1.770 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000360134296 445586949 /nfs/dbraw/zinc/58/69/49/445586949.db2.gz GCBQPPVUZKDUAF-MRXNPFEDSA-N 2 1 335.496 1.884 20 0 EDADMP CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000362770395 445542542 /nfs/dbraw/zinc/54/25/42/445542542.db2.gz RUBCNJUSIIFFSO-HNNXBMFYSA-N 2 1 349.479 1.026 20 0 EDADMP CC(C)[NH+](CCN(C)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000355953072 445542851 /nfs/dbraw/zinc/54/28/51/445542851.db2.gz XRLNCQUCOJGVTR-QGZVFWFLSA-N 2 1 342.528 1.715 20 0 EDADMP CC[C@@H](C(=O)NCCN1CC[NH+](CC)CC1)[N@@H+](C)Cc1ccccc1 ZINC000356067591 445599874 /nfs/dbraw/zinc/59/98/74/445599874.db2.gz ZLPGXHPVIUXHLQ-IBGZPJMESA-N 2 1 346.519 1.651 20 0 EDADMP Cn1nnc2cc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)ccc21 ZINC000349541391 445608430 /nfs/dbraw/zinc/60/84/30/445608430.db2.gz DOXJVTBRODFXHN-UHFFFAOYSA-N 2 1 328.464 1.182 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000353455502 445609404 /nfs/dbraw/zinc/60/94/04/445609404.db2.gz XSOAUHUAAZLHIH-XDNAFOTISA-N 2 1 336.524 1.392 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@H]2CC)[C@@H](C)C1 ZINC000353458249 445611104 /nfs/dbraw/zinc/61/11/04/445611104.db2.gz IUIPLBINULIKGP-YVSFHVDLSA-N 2 1 325.497 1.628 20 0 EDADMP C[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000356126043 445635222 /nfs/dbraw/zinc/63/52/22/445635222.db2.gz RQFPVHYHKSKOJL-SFHVURJKSA-N 2 1 330.476 1.902 20 0 EDADMP CO[C@H](C[NH3+])C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000353514787 445636910 /nfs/dbraw/zinc/63/69/10/445636910.db2.gz LOACFSODZKRKBY-OAHLLOKOSA-N 2 1 325.840 1.348 20 0 EDADMP CO[C@H](C[NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000353514787 445636914 /nfs/dbraw/zinc/63/69/14/445636914.db2.gz LOACFSODZKRKBY-OAHLLOKOSA-N 2 1 325.840 1.348 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000356134640 445639466 /nfs/dbraw/zinc/63/94/66/445639466.db2.gz SLVCITXDMOJPFP-UHFFFAOYSA-N 2 1 341.544 1.386 20 0 EDADMP CC[NH+](CC)CCCNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000356134640 445639468 /nfs/dbraw/zinc/63/94/68/445639468.db2.gz SLVCITXDMOJPFP-UHFFFAOYSA-N 2 1 341.544 1.386 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000363001441 445645393 /nfs/dbraw/zinc/64/53/93/445645393.db2.gz NNQFPVJDQRRVFG-YJBOKZPZSA-N 2 1 330.476 1.954 20 0 EDADMP C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)[C@H](c1ccccc1)[NH+](C)C ZINC000356233249 445689166 /nfs/dbraw/zinc/68/91/66/445689166.db2.gz PPKXMGCYPVLNKE-CGTJXYLNSA-N 2 1 330.476 1.184 20 0 EDADMP C[C@@H]1C[C@@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[NH2+]1 ZINC000358678369 445711681 /nfs/dbraw/zinc/71/16/81/445711681.db2.gz HPFATSOJTVDIOO-QAPCUYQASA-N 2 1 331.460 1.523 20 0 EDADMP C[N@@H+](CCCNC(=O)NC[C@@]1(O)CC[NH+](C)C1)C1CCCCC1 ZINC000358698556 445724821 /nfs/dbraw/zinc/72/48/21/445724821.db2.gz XHCZJOGMWYLHPH-KRWDZBQOSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000358698556 445724826 /nfs/dbraw/zinc/72/48/26/445724826.db2.gz XHCZJOGMWYLHPH-KRWDZBQOSA-N 2 1 326.485 1.007 20 0 EDADMP C[NH+](CCCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000358698556 445724830 /nfs/dbraw/zinc/72/48/30/445724830.db2.gz XHCZJOGMWYLHPH-KRWDZBQOSA-N 2 1 326.485 1.007 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)cc2F)CC1 ZINC000356342366 445743475 /nfs/dbraw/zinc/74/34/75/445743475.db2.gz JDASLQIXQYSJON-CABCVRRESA-N 2 1 348.466 1.790 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000363261592 445744644 /nfs/dbraw/zinc/74/46/44/445744644.db2.gz MLXMKAZMYSXXAM-KRWDZBQOSA-N 2 1 337.439 1.437 20 0 EDADMP CN(CC[N@H+]1CCCOCC1)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000361381498 445762910 /nfs/dbraw/zinc/76/29/10/445762910.db2.gz OAZXQUBBZMPJJR-RBUKOAKNSA-N 2 1 332.492 1.729 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000361381498 445762916 /nfs/dbraw/zinc/76/29/16/445762916.db2.gz OAZXQUBBZMPJJR-RBUKOAKNSA-N 2 1 332.492 1.729 20 0 EDADMP CN(CC[NH+]1CCCOCC1)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000361381498 445762923 /nfs/dbraw/zinc/76/29/23/445762923.db2.gz OAZXQUBBZMPJJR-RBUKOAKNSA-N 2 1 332.492 1.729 20 0 EDADMP CN1CCO[C@@H](C[N@@H+](C)CCN2CCCOCC2)[C@H]1c1ccccc1 ZINC000361395252 445764149 /nfs/dbraw/zinc/76/41/49/445764149.db2.gz MTUOQALASBVILR-VQTJNVASSA-N 2 1 347.503 1.712 20 0 EDADMP CN1CCO[C@@H](C[N@@H+](C)CCN2CCCOCC2)[C@@H]1c1ccccc1 ZINC000361395250 445764239 /nfs/dbraw/zinc/76/42/39/445764239.db2.gz MTUOQALASBVILR-PMACEKPBSA-N 2 1 347.503 1.712 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H]2CCC(C)(C)C2)C1 ZINC000361471453 445775524 /nfs/dbraw/zinc/77/55/24/445775524.db2.gz RCCCLWPWTGYMTJ-IAGOWNOFSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H]2CCC(C)(C)C2)C1 ZINC000361471453 445775527 /nfs/dbraw/zinc/77/55/27/445775527.db2.gz RCCCLWPWTGYMTJ-IAGOWNOFSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@H]2CCC(C)(C)C2)C1 ZINC000361471453 445775532 /nfs/dbraw/zinc/77/55/32/445775532.db2.gz RCCCLWPWTGYMTJ-IAGOWNOFSA-N 2 1 339.524 1.970 20 0 EDADMP COCCOCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358851455 445810079 /nfs/dbraw/zinc/81/00/79/445810079.db2.gz DNIUDHPJBYYUSU-IRXDYDNUSA-N 2 1 344.496 1.240 20 0 EDADMP COCC[NH+]1CCC([NH2+]CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000353979256 445837874 /nfs/dbraw/zinc/83/78/74/445837874.db2.gz PRVQWVYJZBAOHB-UHFFFAOYSA-N 2 1 345.443 1.373 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000359028389 445897092 /nfs/dbraw/zinc/89/70/92/445897092.db2.gz AXOGKDMEPFGPPS-HOTGVXAUSA-N 2 1 328.501 1.515 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000359028389 445897094 /nfs/dbraw/zinc/89/70/94/445897094.db2.gz AXOGKDMEPFGPPS-HOTGVXAUSA-N 2 1 328.501 1.515 20 0 EDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000359028389 445897096 /nfs/dbraw/zinc/89/70/96/445897096.db2.gz AXOGKDMEPFGPPS-HOTGVXAUSA-N 2 1 328.501 1.515 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000359060739 445918900 /nfs/dbraw/zinc/91/89/00/445918900.db2.gz URQZDSFXARDAHV-IAGOWNOFSA-N 2 1 342.528 1.907 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000359060739 445918905 /nfs/dbraw/zinc/91/89/05/445918905.db2.gz URQZDSFXARDAHV-IAGOWNOFSA-N 2 1 342.528 1.907 20 0 EDADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000359060739 445918910 /nfs/dbraw/zinc/91/89/10/445918910.db2.gz URQZDSFXARDAHV-IAGOWNOFSA-N 2 1 342.528 1.907 20 0 EDADMP C[N@@H+](CC(=O)NCCOc1ccccc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366009043 445958027 /nfs/dbraw/zinc/95/80/27/445958027.db2.gz QRLPUHLDCFASBZ-INIZCTEOSA-N 2 1 342.443 1.573 20 0 EDADMP C[N@H+](CC(=O)NCCOc1ccccc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366009043 445958030 /nfs/dbraw/zinc/95/80/30/445958030.db2.gz QRLPUHLDCFASBZ-INIZCTEOSA-N 2 1 342.443 1.573 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000365987215 445945918 /nfs/dbraw/zinc/94/59/18/445945918.db2.gz IBSKIHFJFIZWCO-LJQANCHMSA-N 2 1 345.487 1.660 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000365987215 445945925 /nfs/dbraw/zinc/94/59/25/445945925.db2.gz IBSKIHFJFIZWCO-LJQANCHMSA-N 2 1 345.487 1.660 20 0 EDADMP CC(C)[NH+]1CCO[C@@H](C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000365987215 445945932 /nfs/dbraw/zinc/94/59/32/445945932.db2.gz IBSKIHFJFIZWCO-LJQANCHMSA-N 2 1 345.487 1.660 20 0 EDADMP CN(C(=O)NCC[N@@H+](C)C1CC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000369245626 446017660 /nfs/dbraw/zinc/01/76/60/446017660.db2.gz ZGINCONHSKIMAF-UHFFFAOYSA-N 2 1 338.496 1.365 20 0 EDADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC000354251058 446045731 /nfs/dbraw/zinc/04/57/31/446045731.db2.gz BUOKPJCMKIDCJD-IXDOHACOSA-N 2 1 325.497 1.722 20 0 EDADMP C[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583370969 326059712 /nfs/dbraw/zinc/05/97/12/326059712.db2.gz LRXQBBJRSJCYOR-WJNMYVKJSA-N 2 1 328.460 1.414 20 0 EDADMP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000583748046 326132028 /nfs/dbraw/zinc/13/20/28/326132028.db2.gz OKEZNHCEYGPORS-MAUKXSAKSA-N 2 1 332.444 1.703 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000369302442 446058414 /nfs/dbraw/zinc/05/84/14/446058414.db2.gz JUOKVTCBLBRHSA-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000369302442 446058418 /nfs/dbraw/zinc/05/84/18/446058418.db2.gz JUOKVTCBLBRHSA-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369302442 446058423 /nfs/dbraw/zinc/05/84/23/446058423.db2.gz JUOKVTCBLBRHSA-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369302442 446058427 /nfs/dbraw/zinc/05/84/27/446058427.db2.gz JUOKVTCBLBRHSA-HOTGVXAUSA-N 2 1 338.496 1.365 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)c1 ZINC000584043109 326188840 /nfs/dbraw/zinc/18/88/40/326188840.db2.gz AIYOSEDIUUUOHP-SFHVURJKSA-N 2 1 346.475 1.201 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000369345433 446088664 /nfs/dbraw/zinc/08/86/64/446088664.db2.gz LAUVRODFUSKEPF-LJQANCHMSA-N 2 1 344.503 1.600 20 0 EDADMP C[C@@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+](C)C1CC1 ZINC000373262524 446131796 /nfs/dbraw/zinc/13/17/96/446131796.db2.gz XRSOKASWBZFZBN-LSDHHAIUSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000373262524 446131800 /nfs/dbraw/zinc/13/18/00/446131800.db2.gz XRSOKASWBZFZBN-LSDHHAIUSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000373262524 446131806 /nfs/dbraw/zinc/13/18/06/446131806.db2.gz XRSOKASWBZFZBN-LSDHHAIUSA-N 2 1 338.496 1.364 20 0 EDADMP CN(C)c1nc(NCCc2ccc(OCC[NH+](C)C)cc2)cc[nH+]1 ZINC000354353505 446137029 /nfs/dbraw/zinc/13/70/29/446137029.db2.gz MJNALFHHBYSFOK-UHFFFAOYSA-N 2 1 329.448 2.138 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351487831 446090029 /nfs/dbraw/zinc/09/00/29/446090029.db2.gz CUQUUJBTVYPMGA-LEOABGAYSA-N 2 1 345.443 1.000 20 0 EDADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351487831 446090032 /nfs/dbraw/zinc/09/00/32/446090032.db2.gz CUQUUJBTVYPMGA-LEOABGAYSA-N 2 1 345.443 1.000 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000359262864 446098713 /nfs/dbraw/zinc/09/87/13/446098713.db2.gz HFLVYRNJOFBINM-HOTGVXAUSA-N 2 1 340.512 1.214 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1C ZINC000369654232 446140494 /nfs/dbraw/zinc/14/04/94/446140494.db2.gz KRBVPULYFIJLGX-GOEBONIOSA-N 2 1 348.495 2.096 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000365380223 446177784 /nfs/dbraw/zinc/17/77/84/446177784.db2.gz QOISCUPLBTXTTO-KRWDZBQOSA-N 2 1 348.491 1.795 20 0 EDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000365380223 446177789 /nfs/dbraw/zinc/17/77/89/446177789.db2.gz QOISCUPLBTXTTO-KRWDZBQOSA-N 2 1 348.491 1.795 20 0 EDADMP CC[NH+](CC)CCSCC(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000370354319 446243925 /nfs/dbraw/zinc/24/39/25/446243925.db2.gz AULCIHWVTTZGLP-OAHLLOKOSA-N 2 1 345.578 1.711 20 0 EDADMP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000366407060 446197780 /nfs/dbraw/zinc/19/77/80/446197780.db2.gz DDKCXCZVUCNGHM-LSDHHAIUSA-N 2 1 329.448 1.304 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)[N@H+]1CCc2ccccc2C1 ZINC000370259131 446199841 /nfs/dbraw/zinc/19/98/41/446199841.db2.gz BMDQFBGAQYXXNC-INIZCTEOSA-N 2 1 342.487 1.923 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@H+]1C1CC1 ZINC000370280301 446212215 /nfs/dbraw/zinc/21/22/15/446212215.db2.gz FMRLYJSKMTTYEQ-PMPSAXMXSA-N 2 1 349.523 1.079 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000370280301 446212220 /nfs/dbraw/zinc/21/22/20/446212220.db2.gz FMRLYJSKMTTYEQ-PMPSAXMXSA-N 2 1 349.523 1.079 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000370280301 446212223 /nfs/dbraw/zinc/21/22/23/446212223.db2.gz FMRLYJSKMTTYEQ-PMPSAXMXSA-N 2 1 349.523 1.079 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000370280301 446212228 /nfs/dbraw/zinc/21/22/28/446212228.db2.gz FMRLYJSKMTTYEQ-PMPSAXMXSA-N 2 1 349.523 1.079 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000370280301 446212232 /nfs/dbraw/zinc/21/22/32/446212232.db2.gz FMRLYJSKMTTYEQ-PMPSAXMXSA-N 2 1 349.523 1.079 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000351623074 446217467 /nfs/dbraw/zinc/21/74/67/446217467.db2.gz GJOURYBVBKHDPS-ZKXLYKBJSA-N 2 1 337.508 1.863 20 0 EDADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000351623074 446217473 /nfs/dbraw/zinc/21/74/73/446217473.db2.gz GJOURYBVBKHDPS-ZKXLYKBJSA-N 2 1 337.508 1.863 20 0 EDADMP C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000373447493 446221306 /nfs/dbraw/zinc/22/13/06/446221306.db2.gz JOXBZLNFOOTLHR-BRSBDYLESA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000373447493 446221311 /nfs/dbraw/zinc/22/13/11/446221311.db2.gz JOXBZLNFOOTLHR-BRSBDYLESA-N 2 1 337.508 1.724 20 0 EDADMP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359457228 446234402 /nfs/dbraw/zinc/23/44/02/446234402.db2.gz IMYSPFZBTBFUEN-ZIAGYGMSSA-N 2 1 326.400 1.499 20 0 EDADMP CN(c1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000359463220 446237690 /nfs/dbraw/zinc/23/76/90/446237690.db2.gz ZAEHIWJBYADHQA-QZTJIDSGSA-N 3 1 328.504 1.868 20 0 EDADMP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)cc2)[nH]1 ZINC000365558993 446253881 /nfs/dbraw/zinc/25/38/81/446253881.db2.gz UQEOVJJYIRRLEJ-HIFRSBDPSA-N 2 1 340.431 1.743 20 0 EDADMP Cc1noc(C2C[NH+](C[C@@H](O)Cn3cnc4cc(C)c(C)cc43)C2)n1 ZINC000365579336 446260288 /nfs/dbraw/zinc/26/02/88/446260288.db2.gz WQXRJNPSYOTNGC-OAHLLOKOSA-N 2 1 341.415 1.805 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3Cc4ccccc4[C@@H]3O)C2)CC1 ZINC000362238510 446280109 /nfs/dbraw/zinc/28/01/09/446280109.db2.gz QUTHGTIROIDOES-RLLQIKCJSA-N 2 1 329.488 1.745 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000370532597 446320940 /nfs/dbraw/zinc/32/09/40/446320940.db2.gz BSUPAEVKSCXZFT-QGZVFWFLSA-N 2 1 341.496 1.101 20 0 EDADMP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000370532597 446320943 /nfs/dbraw/zinc/32/09/43/446320943.db2.gz BSUPAEVKSCXZFT-QGZVFWFLSA-N 2 1 341.496 1.101 20 0 EDADMP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)cn2)CC1 ZINC000365816815 446354017 /nfs/dbraw/zinc/35/40/17/446354017.db2.gz NCIHKOBPPYNSLC-WBVHZDCISA-N 2 1 343.475 1.646 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCO[C@H]4CCC[C@@H]43)cn2)CC1 ZINC000374252879 446360001 /nfs/dbraw/zinc/36/00/01/446360001.db2.gz AWKSGJQRZAAUAL-IRXDYDNUSA-N 2 1 331.464 1.372 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCO[C@H]4CCC[C@@H]43)cn2)CC1 ZINC000374252879 446360006 /nfs/dbraw/zinc/36/00/06/446360006.db2.gz AWKSGJQRZAAUAL-IRXDYDNUSA-N 2 1 331.464 1.372 20 0 EDADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000374349019 446363641 /nfs/dbraw/zinc/36/36/41/446363641.db2.gz ABEIEOQGHZAQDI-WMZOPIPTSA-N 2 1 326.444 1.829 20 0 EDADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000374349019 446363644 /nfs/dbraw/zinc/36/36/44/446363644.db2.gz ABEIEOQGHZAQDI-WMZOPIPTSA-N 2 1 326.444 1.829 20 0 EDADMP CN(CC[NH3+])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417585423 446365667 /nfs/dbraw/zinc/36/56/67/446365667.db2.gz PUEZWKZFCXTPJE-UHFFFAOYSA-N 2 1 326.485 1.400 20 0 EDADMP CC[C@H](NC(=O)NCC[C@@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417898432 446379654 /nfs/dbraw/zinc/37/96/54/446379654.db2.gz RNRRSCWNOKQEOB-BPQIPLTHSA-N 2 1 348.491 1.703 20 0 EDADMP CC[C@H](NC(=O)NCC[C@@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417898432 446379656 /nfs/dbraw/zinc/37/96/56/446379656.db2.gz RNRRSCWNOKQEOB-BPQIPLTHSA-N 2 1 348.491 1.703 20 0 EDADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417911992 446383051 /nfs/dbraw/zinc/38/30/51/446383051.db2.gz IEZZJEXGAUXZRY-DOTOQJQBSA-N 2 1 328.476 1.840 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417911992 446383054 /nfs/dbraw/zinc/38/30/54/446383054.db2.gz IEZZJEXGAUXZRY-DOTOQJQBSA-N 2 1 328.476 1.840 20 0 EDADMP COc1cc2[nH+]c(N3CCC4(CC[NH2+]C4)CC3)nc(N)c2cc1OC ZINC000420257985 446436830 /nfs/dbraw/zinc/43/68/30/446436830.db2.gz JJPZXSOGMJPKGG-UHFFFAOYSA-N 2 1 343.431 1.809 20 0 EDADMP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000370788033 446442645 /nfs/dbraw/zinc/44/26/45/446442645.db2.gz POVWBCQZXXUNAL-DLBZAZTESA-N 2 1 348.516 1.505 20 0 EDADMP CCOC(=O)c1c[nH+]ccc1N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420275296 446444616 /nfs/dbraw/zinc/44/46/16/446444616.db2.gz FOBQXDWEPXCFAG-WBVHZDCISA-N 2 1 333.432 1.981 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000370736486 446409395 /nfs/dbraw/zinc/40/93/95/446409395.db2.gz DGSWCEBQQNGBLN-IRXDYDNUSA-N 2 1 344.459 1.430 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)NC[C@@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000417999900 446411214 /nfs/dbraw/zinc/41/12/14/446411214.db2.gz WSJQODXUMMJQOY-DOPJRALCSA-N 2 1 346.475 1.867 20 0 EDADMP C[NH+](C)[C@@]1(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCCSC1 ZINC000366919966 446411477 /nfs/dbraw/zinc/41/14/77/446411477.db2.gz QVBVOZKQUPNVDJ-IBGZPJMESA-N 2 1 347.528 1.988 20 0 EDADMP C[NH+](C)[C@@]1(C(=O)NCC[N@H+]2CCc3ccccc3C2)CCCSC1 ZINC000366919966 446411480 /nfs/dbraw/zinc/41/14/80/446411480.db2.gz QVBVOZKQUPNVDJ-IBGZPJMESA-N 2 1 347.528 1.988 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418009183 446414588 /nfs/dbraw/zinc/41/45/88/446414588.db2.gz HVSHWWFTDDHKKI-SPUZQDLCSA-N 2 1 330.476 1.934 20 0 EDADMP C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418017358 446416424 /nfs/dbraw/zinc/41/64/24/446416424.db2.gz YDFUECNQKFJCJO-BPQIPLTHSA-N 2 1 330.476 1.900 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000418017736 446417636 /nfs/dbraw/zinc/41/76/36/446417636.db2.gz TVYSPNDWFFMMDI-NVXWUHKLSA-N 2 1 334.464 1.042 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418017819 446417650 /nfs/dbraw/zinc/41/76/50/446417650.db2.gz UDTSIONBESNKNB-RANZSIQMSA-N 2 1 328.460 1.510 20 0 EDADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370763341 446421880 /nfs/dbraw/zinc/42/18/80/446421880.db2.gz JHHUGOAREGFSKM-ICSRJNTNSA-N 2 1 343.471 1.490 20 0 EDADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370763341 446421882 /nfs/dbraw/zinc/42/18/82/446421882.db2.gz JHHUGOAREGFSKM-ICSRJNTNSA-N 2 1 343.471 1.490 20 0 EDADMP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCCC3CCOCC3)CC2)C1 ZINC000376309564 446422522 /nfs/dbraw/zinc/42/25/22/446422522.db2.gz FRMFJSSUBVTJFL-IBGZPJMESA-N 2 1 339.524 1.532 20 0 EDADMP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCCC3CCOCC3)CC2)C1 ZINC000376309564 446422523 /nfs/dbraw/zinc/42/25/23/446422523.db2.gz FRMFJSSUBVTJFL-IBGZPJMESA-N 2 1 339.524 1.532 20 0 EDADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000418229870 446466307 /nfs/dbraw/zinc/46/63/07/446466307.db2.gz DJTJWAPZPYEEPZ-SFHVURJKSA-N 2 1 330.476 1.904 20 0 EDADMP COCC[N@@H+](CCOc1ccc(F)cc1)CCN1CC[NH2+]CC1 ZINC000420304446 446468547 /nfs/dbraw/zinc/46/85/47/446468547.db2.gz OMEPXSDDISUPME-UHFFFAOYSA-N 2 1 325.428 1.058 20 0 EDADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000420309679 446474193 /nfs/dbraw/zinc/47/41/93/446474193.db2.gz FALDSEMPWLKSEI-RTBURBONSA-N 2 1 347.503 1.924 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000423377369 446508969 /nfs/dbraw/zinc/50/89/69/446508969.db2.gz BOGBBYRHFQMLMU-BARDWOONSA-N 3 1 334.430 1.285 20 0 EDADMP C[N@@H+]1CC[C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000423377369 446508975 /nfs/dbraw/zinc/50/89/75/446508975.db2.gz BOGBBYRHFQMLMU-BARDWOONSA-N 2 1 334.430 1.285 20 0 EDADMP C[N@H+]1CC[C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000423377369 446508982 /nfs/dbraw/zinc/50/89/82/446508982.db2.gz BOGBBYRHFQMLMU-BARDWOONSA-N 2 1 334.430 1.285 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@H+]1C[C@@H](C)O ZINC000418356018 446512608 /nfs/dbraw/zinc/51/26/08/446512608.db2.gz GGAOAKANBGROSK-DJIMGWMZSA-N 2 1 340.512 1.381 20 0 EDADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418359251 446513889 /nfs/dbraw/zinc/51/38/89/446513889.db2.gz ZTOGACNQGOTIQP-GVDBMIGSSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H](C)[NH3+] ZINC000423354781 446497985 /nfs/dbraw/zinc/49/79/85/446497985.db2.gz GXLLJYPNWAYNJI-KYHPRHEASA-N 2 1 339.524 1.954 20 0 EDADMP COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329048 446498116 /nfs/dbraw/zinc/49/81/16/446498116.db2.gz FZDXQGDBBNNPJP-OAGGEKHMSA-N 2 1 331.460 1.804 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)C[C@H]1CC ZINC000418329567 446499846 /nfs/dbraw/zinc/49/98/46/446499846.db2.gz BIVZWCWGDPTBQK-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)C[NH3+] ZINC000418492173 446563293 /nfs/dbraw/zinc/56/32/93/446563293.db2.gz PECUETOKIGNVPL-DOTOQJQBSA-N 2 1 333.480 1.672 20 0 EDADMP Cc1ccc2nc(C[N@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)cn2c1 ZINC000420390339 446565618 /nfs/dbraw/zinc/56/56/18/446565618.db2.gz QEMSDUYLEASZRU-SJORKVTESA-N 2 1 326.444 1.843 20 0 EDADMP COCC[NH2+]CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418499433 446566075 /nfs/dbraw/zinc/56/60/75/446566075.db2.gz OCEYGSMJIXDYTJ-KRWDZBQOSA-N 2 1 334.464 1.138 20 0 EDADMP Cn1c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)nnc1-c1ccccc1 ZINC000420344638 446516947 /nfs/dbraw/zinc/51/69/47/446516947.db2.gz YIQHJOHYRBDIAU-AEFFLSMTSA-N 2 1 341.459 1.810 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423404855 446520140 /nfs/dbraw/zinc/52/01/40/446520140.db2.gz ZJNFOCCFIQQEET-UXLLHSPISA-N 2 1 333.480 1.800 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418382575 446523279 /nfs/dbraw/zinc/52/32/79/446523279.db2.gz MJNJONSQVNFTEG-HOTGVXAUSA-N 3 1 327.517 1.027 20 0 EDADMP O=C1[C@@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCCN1c1ccccc1F ZINC000420348969 446525267 /nfs/dbraw/zinc/52/52/67/446525267.db2.gz NLEIITIYCAWYSU-YJBOKZPZSA-N 2 1 346.450 1.301 20 0 EDADMP O=C1[C@@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCCN1c1ccccc1F ZINC000420348969 446525275 /nfs/dbraw/zinc/52/52/75/446525275.db2.gz NLEIITIYCAWYSU-YJBOKZPZSA-N 2 1 346.450 1.301 20 0 EDADMP C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000418392341 446525897 /nfs/dbraw/zinc/52/58/97/446525897.db2.gz PYIMQRBQWLPHER-WMZOPIPTSA-N 2 1 347.507 1.933 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418394302 446526411 /nfs/dbraw/zinc/52/64/11/446526411.db2.gz ZEEOZIFSBSXFNC-IEBWSBKVSA-N 2 1 348.491 1.248 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418391355 446526461 /nfs/dbraw/zinc/52/64/61/446526461.db2.gz VJQUTDCIKVBFLV-MRXNPFEDSA-N 2 1 326.485 1.258 20 0 EDADMP CC(C)[C@H]([NH3+])CNC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000418391404 446526553 /nfs/dbraw/zinc/52/65/53/446526553.db2.gz YPOMYSTXSBSKND-GOSISDBHSA-N 2 1 347.507 1.433 20 0 EDADMP CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420350117 446528648 /nfs/dbraw/zinc/52/86/48/446528648.db2.gz RJLDOHQYKVINSV-VQIMIIECSA-N 2 1 344.503 1.406 20 0 EDADMP COC[C@@]1(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC[NH2+]C1 ZINC000423425100 446531118 /nfs/dbraw/zinc/53/11/18/446531118.db2.gz GOPZBJSRUIWRLK-AUUYWEPGSA-N 2 1 342.443 1.984 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C[NH3+])C(C)C)C2)cc(OC)c1 ZINC000433134648 446532836 /nfs/dbraw/zinc/53/28/36/446532836.db2.gz RQPROPNDBDJUEB-CRAIPNDOSA-N 2 1 349.475 1.625 20 0 EDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H](C[NH3+])C(C)C)C2)cc(OC)c1 ZINC000433134648 446532848 /nfs/dbraw/zinc/53/28/48/446532848.db2.gz RQPROPNDBDJUEB-CRAIPNDOSA-N 2 1 349.475 1.625 20 0 EDADMP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000433135848 446535226 /nfs/dbraw/zinc/53/52/26/446535226.db2.gz KATACWFXMTWXAB-SFHVURJKSA-N 3 1 336.524 1.570 20 0 EDADMP [NH3+]C1CCN(CCCC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000433135848 446535232 /nfs/dbraw/zinc/53/52/32/446535232.db2.gz KATACWFXMTWXAB-SFHVURJKSA-N 2 1 336.524 1.570 20 0 EDADMP [NH3+]C1CCN(CCCC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000433135848 446535240 /nfs/dbraw/zinc/53/52/40/446535240.db2.gz KATACWFXMTWXAB-SFHVURJKSA-N 2 1 336.524 1.570 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@H](C[NH3+])CC(C)C)C[C@@H]1CC ZINC000418416100 446536097 /nfs/dbraw/zinc/53/60/97/446536097.db2.gz PFTBXWJLAXNCTD-HOTGVXAUSA-N 2 1 328.501 1.502 20 0 EDADMP C[N@H+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C2(CCCCC2)C1 ZINC000433152257 446539152 /nfs/dbraw/zinc/53/91/52/446539152.db2.gz QVBSOHBYVYFBSD-UHFFFAOYSA-N 3 1 336.524 1.667 20 0 EDADMP C[N@@H+]1CCN(C(=O)CCCN2CCC([NH3+])CC2)C2(CCCCC2)C1 ZINC000433152257 446539159 /nfs/dbraw/zinc/53/91/59/446539159.db2.gz QVBSOHBYVYFBSD-UHFFFAOYSA-N 2 1 336.524 1.667 20 0 EDADMP C[N@H+]1CCN(C(=O)CCCN2CCC([NH3+])CC2)C2(CCCCC2)C1 ZINC000433152257 446539163 /nfs/dbraw/zinc/53/91/63/446539163.db2.gz QVBSOHBYVYFBSD-UHFFFAOYSA-N 2 1 336.524 1.667 20 0 EDADMP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCOCC[NH3+] ZINC000420368682 446546278 /nfs/dbraw/zinc/54/62/78/446546278.db2.gz IDEMEIHOCKYGES-LPHOPBHVSA-N 2 1 334.508 1.898 20 0 EDADMP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000453198625 446550749 /nfs/dbraw/zinc/55/07/49/446550749.db2.gz QCSFBKUYMPVZLJ-KXBFYZLASA-N 2 1 326.444 1.764 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3Cc4ccccc43)CC2)C1 ZINC000376521038 446553891 /nfs/dbraw/zinc/55/38/91/446553891.db2.gz YQRPTFZKQJIYNK-RBUKOAKNSA-N 2 1 329.488 1.665 20 0 EDADMP CC[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3Cc4ccccc43)CC2)C1 ZINC000376521038 446553896 /nfs/dbraw/zinc/55/38/96/446553896.db2.gz YQRPTFZKQJIYNK-RBUKOAKNSA-N 2 1 329.488 1.665 20 0 EDADMP C[C@@H](CO)CNC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371077919 446615221 /nfs/dbraw/zinc/61/52/21/446615221.db2.gz FBUAJJNIMPZFJF-OAHLLOKOSA-N 2 1 340.512 1.110 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376632369 446617724 /nfs/dbraw/zinc/61/77/24/446617724.db2.gz MCJILUOEWDVIMQ-HZPDHXFCSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H](C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)n1cncn1 ZINC000371083710 446617902 /nfs/dbraw/zinc/61/79/02/446617902.db2.gz DHHQBYOPLOZRKP-OAHLLOKOSA-N 2 1 348.495 1.152 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@H]4C[NH2+]CCO4)[C@@H]3C2)cc1 ZINC000423575885 446583592 /nfs/dbraw/zinc/58/35/92/446583592.db2.gz QNIWHGOKPWBAHU-NMLBUPMWSA-N 3 1 329.488 1.865 20 0 EDADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CNCCO4)[C@@H]3C2)cc1 ZINC000423575885 446583599 /nfs/dbraw/zinc/58/35/99/446583599.db2.gz QNIWHGOKPWBAHU-NMLBUPMWSA-N 2 1 329.488 1.865 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CNCCO4)[C@@H]3C2)cc1 ZINC000423575885 446583605 /nfs/dbraw/zinc/58/36/05/446583605.db2.gz QNIWHGOKPWBAHU-NMLBUPMWSA-N 2 1 329.488 1.865 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418537477 446584748 /nfs/dbraw/zinc/58/47/48/446584748.db2.gz JUNVFLKPFPJGOX-NVXWUHKLSA-N 2 1 326.485 1.128 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000418548270 446590014 /nfs/dbraw/zinc/59/00/14/446590014.db2.gz ZEMTULRAJDOBFZ-ZACQAIPSSA-N 3 1 339.528 1.184 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1CCOC ZINC000418720760 446655161 /nfs/dbraw/zinc/65/51/61/446655161.db2.gz LWQSNKDQXISREW-IXDOHACOSA-N 2 1 340.512 1.646 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418727543 446656576 /nfs/dbraw/zinc/65/65/76/446656576.db2.gz MJODCJVMUGJYMD-WMZOPIPTSA-N 2 1 334.464 1.002 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCNCC3(F)F)CC[C@H]21 ZINC000418748337 446668723 /nfs/dbraw/zinc/66/87/23/446668723.db2.gz BDOUGFVAEDZQMX-MGPQQGTHSA-N 2 1 330.423 1.357 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000423748813 446677819 /nfs/dbraw/zinc/67/78/19/446677819.db2.gz QUPINTKZKBRARG-KFWWJZLASA-N 2 1 327.469 1.236 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000368049380 446622988 /nfs/dbraw/zinc/62/29/88/446622988.db2.gz VCMLXSJRBWFMRA-RRFJBIMHSA-N 2 1 325.453 1.768 20 0 EDADMP CSCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000368049380 446622993 /nfs/dbraw/zinc/62/29/93/446622993.db2.gz VCMLXSJRBWFMRA-RRFJBIMHSA-N 2 1 325.453 1.768 20 0 EDADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3ccc[nH]c3=O)CC2)CC1 ZINC000371092449 446623199 /nfs/dbraw/zinc/62/31/99/446623199.db2.gz FJPLNJVWSTZROC-UHFFFAOYSA-N 2 1 346.475 1.713 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)COC1CCC([NH3+])CC1 ZINC000423767226 446695051 /nfs/dbraw/zinc/69/50/51/446695051.db2.gz ABCJWHSWKOJRFI-GWFLUQINSA-N 2 1 345.487 1.910 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@]4(C3)CCCOC4)cn2)CC1 ZINC000375301357 446703850 /nfs/dbraw/zinc/70/38/50/446703850.db2.gz GDJNDRFOZJTCNM-SFHVURJKSA-N 2 1 331.464 1.231 20 0 EDADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@]4(C3)CCCOC4)cn2)CC1 ZINC000375301357 446703857 /nfs/dbraw/zinc/70/38/57/446703857.db2.gz GDJNDRFOZJTCNM-SFHVURJKSA-N 2 1 331.464 1.231 20 0 EDADMP COc1cccc([C@H]2[C@@H](NC(=O)[C@@H]3CC[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000423833577 446721509 /nfs/dbraw/zinc/72/15/09/446721509.db2.gz TUKBGAPTNLEGIU-JLSDUUJJSA-N 2 1 329.444 1.699 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000423836532 446724628 /nfs/dbraw/zinc/72/46/28/446724628.db2.gz WPGQCVKPIRPENZ-ZOBUZTSGSA-N 2 1 337.851 1.580 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000423836532 446724632 /nfs/dbraw/zinc/72/46/32/446724632.db2.gz WPGQCVKPIRPENZ-ZOBUZTSGSA-N 2 1 337.851 1.580 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)NC(N)=O ZINC000368234232 446728417 /nfs/dbraw/zinc/72/84/17/446728417.db2.gz JVCWHEQOOMVGNS-QSPRXWTASA-N 2 1 344.459 1.460 20 0 EDADMP COCC[NH2+]CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000371271771 446730215 /nfs/dbraw/zinc/73/02/15/446730215.db2.gz VPNYPJPQLXBSFU-OALUTQOASA-N 2 1 345.487 1.878 20 0 EDADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418825119 446730837 /nfs/dbraw/zinc/73/08/37/446730837.db2.gz TZZJSRTYNYEWSC-AWEZNQCLSA-N 2 1 349.479 1.112 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)C[C@@H]2COCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000423890147 446746870 /nfs/dbraw/zinc/74/68/70/446746870.db2.gz ABAMGOOZZDBSFB-BHIYHBOVSA-N 2 1 345.487 1.782 20 0 EDADMP CC[C@@H]1C[C@@H](CC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCO1 ZINC000376866967 446763313 /nfs/dbraw/zinc/76/33/13/446763313.db2.gz OZEKRDOPGYBCKZ-LZLYRXPVSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H](NC(=O)[C@]1([NH+](C)C)CCOc2ccccc21)C1=CC[N@H+](C)CC1 ZINC000376875242 446769440 /nfs/dbraw/zinc/76/94/40/446769440.db2.gz JGDMCWILMIYFBR-QRWLVFNGSA-N 2 1 343.471 1.993 20 0 EDADMP C[C@@H](NC(=O)[C@]1([NH+](C)C)CCOc2ccccc21)C1=CC[N@@H+](C)CC1 ZINC000376875242 446769444 /nfs/dbraw/zinc/76/94/44/446769444.db2.gz JGDMCWILMIYFBR-QRWLVFNGSA-N 2 1 343.471 1.993 20 0 EDADMP CC[N@@H+](CCO)CCNCc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000376880085 446774503 /nfs/dbraw/zinc/77/45/03/446774503.db2.gz MMTUEFLVIKGMNJ-UHFFFAOYSA-N 2 1 326.510 1.313 20 0 EDADMP CC[NH+](CCO)CCNCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000376880085 446774508 /nfs/dbraw/zinc/77/45/08/446774508.db2.gz MMTUEFLVIKGMNJ-UHFFFAOYSA-N 2 1 326.510 1.313 20 0 EDADMP CC[NH+](CCO)CCNCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000376880085 446774513 /nfs/dbraw/zinc/77/45/13/446774513.db2.gz MMTUEFLVIKGMNJ-UHFFFAOYSA-N 2 1 326.510 1.313 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000423930150 446782102 /nfs/dbraw/zinc/78/21/02/446782102.db2.gz JZQIYLWVIINCQG-QBYUYEEZSA-N 2 1 333.480 1.307 20 0 EDADMP [NH3+]C1(CNC(=O)C[C@@H]2CCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000424040708 446830365 /nfs/dbraw/zinc/83/03/65/446830365.db2.gz RHHKDANVHITMFL-KRWDZBQOSA-N 2 1 330.476 1.238 20 0 EDADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@@]1(C)C[NH3+] ZINC000423982165 446805541 /nfs/dbraw/zinc/80/55/41/446805541.db2.gz IDYCZUDCJAAZBY-OXQOHEQNSA-N 2 1 344.503 1.491 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424457981 446875966 /nfs/dbraw/zinc/87/59/66/446875966.db2.gz SFYKDHXAVNWLAZ-KRWDZBQOSA-N 2 1 346.475 1.773 20 0 EDADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000424458642 446876530 /nfs/dbraw/zinc/87/65/30/446876530.db2.gz UOILXCLOYZFUFJ-ZFWWWQNUSA-N 2 1 346.475 1.629 20 0 EDADMP CC(=O)N(C)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420905237 446881209 /nfs/dbraw/zinc/88/12/09/446881209.db2.gz QSGKBWABCWGRJM-UHFFFAOYSA-N 2 1 345.487 1.962 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1C ZINC000442610687 446915447 /nfs/dbraw/zinc/91/54/47/446915447.db2.gz PWJFECPNSILNND-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000442610687 446915451 /nfs/dbraw/zinc/91/54/51/446915451.db2.gz PWJFECPNSILNND-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@H]1C[C@H](N(C)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000442610687 446915455 /nfs/dbraw/zinc/91/54/55/446915455.db2.gz PWJFECPNSILNND-JKSUJKDBSA-N 2 1 339.528 1.137 20 0 EDADMP C[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCSCC1 ZINC000442644516 446920996 /nfs/dbraw/zinc/92/09/96/446920996.db2.gz HUSBXOLKRFSEDD-XHSDSOJGSA-N 2 1 327.538 1.908 20 0 EDADMP C[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCSCC1 ZINC000442644516 446920998 /nfs/dbraw/zinc/92/09/98/446920998.db2.gz HUSBXOLKRFSEDD-XHSDSOJGSA-N 2 1 327.538 1.908 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419100469 446924535 /nfs/dbraw/zinc/92/45/35/446924535.db2.gz BUXUKROWORKHMY-HYVNUMGLSA-N 2 1 346.475 1.009 20 0 EDADMP CC(C)[N@H+](CCOCCO)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420959733 446929512 /nfs/dbraw/zinc/92/95/12/446929512.db2.gz GUBNHIIYAUUOLA-UHFFFAOYSA-N 2 1 336.476 1.738 20 0 EDADMP CC(C)[N@@H+](CCOCCO)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420959733 446929519 /nfs/dbraw/zinc/92/95/19/446929519.db2.gz GUBNHIIYAUUOLA-UHFFFAOYSA-N 2 1 336.476 1.738 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000419105932 446926619 /nfs/dbraw/zinc/92/66/19/446926619.db2.gz IZQUJNVGPRBKGD-OAHLLOKOSA-N 2 1 348.491 1.257 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc(-c3ccccn3)no2)CC1 ZINC000371551020 446928533 /nfs/dbraw/zinc/92/85/33/446928533.db2.gz QYYKELXATXACGX-CQSZACIVSA-N 2 1 345.447 1.656 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc(-c3ccccn3)no2)CC1 ZINC000371551020 446928539 /nfs/dbraw/zinc/92/85/39/446928539.db2.gz QYYKELXATXACGX-CQSZACIVSA-N 2 1 345.447 1.656 20 0 EDADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000420972934 446944045 /nfs/dbraw/zinc/94/40/45/446944045.db2.gz MNXZFPQILAVSOD-UXHICEINSA-N 2 1 345.487 1.424 20 0 EDADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000420972934 446944048 /nfs/dbraw/zinc/94/40/48/446944048.db2.gz MNXZFPQILAVSOD-UXHICEINSA-N 2 1 345.487 1.424 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000442766552 446959948 /nfs/dbraw/zinc/95/99/48/446959948.db2.gz WWJUCWPRRVHACQ-ZACQAIPSSA-N 2 1 330.476 1.298 20 0 EDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000442766552 446959955 /nfs/dbraw/zinc/95/99/55/446959955.db2.gz WWJUCWPRRVHACQ-ZACQAIPSSA-N 2 1 330.476 1.298 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000371773540 446961620 /nfs/dbraw/zinc/96/16/20/446961620.db2.gz RSFBMHCETDTCJT-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP C[C@H](CNC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C)C[NH+]1CCOCC1 ZINC000371773540 446961626 /nfs/dbraw/zinc/96/16/26/446961626.db2.gz RSFBMHCETDTCJT-ZACQAIPSSA-N 2 1 338.496 1.223 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442780809 446964596 /nfs/dbraw/zinc/96/45/96/446964596.db2.gz NQOIUDWZAJKADB-IPYPFGDCSA-N 2 1 335.448 1.378 20 0 EDADMP COc1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442780809 446964604 /nfs/dbraw/zinc/96/46/04/446964604.db2.gz NQOIUDWZAJKADB-IPYPFGDCSA-N 2 1 335.448 1.378 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419229104 447019959 /nfs/dbraw/zinc/01/99/59/447019959.db2.gz NPPXFGZKMBONNE-HZPDHXFCSA-N 2 1 338.496 1.001 20 0 EDADMP Cc1cc(NC(=O)C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000372017957 446982190 /nfs/dbraw/zinc/98/21/90/446982190.db2.gz ACOAYUFKRHRLRE-INIZCTEOSA-N 2 1 334.464 2.508 20 0 EDADMP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[C@H]1CCC[N@H+]1C ZINC000421012561 446986327 /nfs/dbraw/zinc/98/63/27/446986327.db2.gz UCYONSCULCYPEY-QZTJIDSGSA-N 2 1 332.492 1.432 20 0 EDADMP COCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443060883 447002341 /nfs/dbraw/zinc/00/23/41/447002341.db2.gz PXZKUBRKEDTPOV-MRXNPFEDSA-N 2 1 349.475 1.389 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375760152 447027568 /nfs/dbraw/zinc/02/75/68/447027568.db2.gz SKJYBFSBQJDFNF-BRWVUGGUSA-N 2 1 339.480 1.840 20 0 EDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375760152 447027570 /nfs/dbraw/zinc/02/75/70/447027570.db2.gz SKJYBFSBQJDFNF-BRWVUGGUSA-N 2 1 339.480 1.840 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375760152 447027571 /nfs/dbraw/zinc/02/75/71/447027571.db2.gz SKJYBFSBQJDFNF-BRWVUGGUSA-N 2 1 339.480 1.840 20 0 EDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375760152 447027573 /nfs/dbraw/zinc/02/75/73/447027573.db2.gz SKJYBFSBQJDFNF-BRWVUGGUSA-N 2 1 339.480 1.840 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000375889929 447125067 /nfs/dbraw/zinc/12/50/67/447125067.db2.gz LUMFEBIDGKAYOH-QZTJIDSGSA-N 2 1 336.524 1.488 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000368808830 447123407 /nfs/dbraw/zinc/12/34/07/447123407.db2.gz CIPQCLJVZDSQHO-TXPKVOOTSA-N 2 1 342.443 1.074 20 0 EDADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000368808830 447123413 /nfs/dbraw/zinc/12/34/13/447123413.db2.gz CIPQCLJVZDSQHO-TXPKVOOTSA-N 2 1 342.443 1.074 20 0 EDADMP C[N@@H+](C[C@@H](O)COc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375829259 447085859 /nfs/dbraw/zinc/08/58/59/447085859.db2.gz FSRUGZJDPYIOFK-RBUKOAKNSA-N 2 1 347.503 1.527 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N(C)CCC[N@@H+](C)CCN(C)C ZINC000377443091 447135801 /nfs/dbraw/zinc/13/58/01/447135801.db2.gz QLQRDOHWRSUFPK-MSOLQXFVSA-N 2 1 325.545 1.275 20 0 EDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N(C)CCCN(C)CC[NH+](C)C ZINC000377443091 447135807 /nfs/dbraw/zinc/13/58/07/447135807.db2.gz QLQRDOHWRSUFPK-MSOLQXFVSA-N 2 1 325.545 1.275 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000425473156 447179546 /nfs/dbraw/zinc/17/95/46/447179546.db2.gz XEVJUPYFRTWVED-HZPDHXFCSA-N 2 1 340.512 1.467 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2C[C@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000419458034 447192965 /nfs/dbraw/zinc/19/29/65/447192965.db2.gz YHUYRDQNERTWOK-GVDBMIGSSA-N 2 1 340.512 1.203 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000372636788 447200714 /nfs/dbraw/zinc/20/07/14/447200714.db2.gz FFAYVASFBLHTSW-UHFFFAOYSA-N 2 1 347.507 1.668 20 0 EDADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000372636788 447200719 /nfs/dbraw/zinc/20/07/19/447200719.db2.gz FFAYVASFBLHTSW-UHFFFAOYSA-N 2 1 347.507 1.668 20 0 EDADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000419476363 447208188 /nfs/dbraw/zinc/20/81/88/447208188.db2.gz JKMCPTWKEPGXKY-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000419486435 447216013 /nfs/dbraw/zinc/21/60/13/447216013.db2.gz XRRCZCFHPHTCDY-OWCLPIDISA-N 2 1 338.496 1.014 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000419486636 447216701 /nfs/dbraw/zinc/21/67/01/447216701.db2.gz XRRCZCFHPHTCDY-PMPSAXMXSA-N 2 1 338.496 1.014 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000425555241 447229108 /nfs/dbraw/zinc/22/91/08/447229108.db2.gz QCNUMYUCDZOYFJ-SFHVURJKSA-N 2 1 335.492 1.432 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000425555241 447229116 /nfs/dbraw/zinc/22/91/16/447229116.db2.gz QCNUMYUCDZOYFJ-SFHVURJKSA-N 2 1 335.492 1.432 20 0 EDADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369047054 447286335 /nfs/dbraw/zinc/28/63/35/447286335.db2.gz KRUBLUYIJKECLL-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCc3cccnc3CC2)CC1 ZINC000421828087 447262801 /nfs/dbraw/zinc/26/28/01/447262801.db2.gz AYPJWPBZEIAGIA-QGZVFWFLSA-N 2 1 344.503 1.861 20 0 EDADMP CN(C(=O)COC1(C)C[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388586517 447480144 /nfs/dbraw/zinc/48/01/44/447480144.db2.gz HAWLMZQZZJWPLK-KRWDZBQOSA-N 2 1 331.460 1.488 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000426775837 447501222 /nfs/dbraw/zinc/50/12/22/447501222.db2.gz CYZATXHOEKWVQN-HNNXBMFYSA-N 2 1 333.480 1.292 20 0 EDADMP C[C@@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC[NH2+]C1 ZINC000390940329 447506851 /nfs/dbraw/zinc/50/68/51/447506851.db2.gz QFTFPAGUOUXYCK-UYAOXDASSA-N 2 1 345.487 1.783 20 0 EDADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)c1ccccc1 ZINC000457427921 447579299 /nfs/dbraw/zinc/57/92/99/447579299.db2.gz WDXKJMVINOAVOU-MSOLQXFVSA-N 2 1 348.491 1.435 20 0 EDADMP CC(C)[NH+](CCNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C(C)C ZINC000457432271 447580471 /nfs/dbraw/zinc/58/04/71/447580471.db2.gz ZZARMGLSTLVAKK-IYBDPMFKSA-N 2 1 328.501 1.202 20 0 EDADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416210142 447539187 /nfs/dbraw/zinc/53/91/87/447539187.db2.gz OMVKUHRKLPCYDT-IEBWSBKVSA-N 2 1 346.519 1.822 20 0 EDADMP C[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H](C)CO ZINC000450728436 447558236 /nfs/dbraw/zinc/55/82/36/447558236.db2.gz LMMZEHHUNJBHCP-ZACQAIPSSA-N 2 1 333.476 1.498 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000427264798 447571898 /nfs/dbraw/zinc/57/18/98/447571898.db2.gz IZMHUVXNOFWEMB-JKSUJKDBSA-N 2 1 344.459 1.322 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000404200371 447596989 /nfs/dbraw/zinc/59/69/89/447596989.db2.gz JVMIRLWCLNSLFL-UFYCRDLUSA-N 2 1 347.503 1.274 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404200371 447596995 /nfs/dbraw/zinc/59/69/95/447596995.db2.gz JVMIRLWCLNSLFL-UFYCRDLUSA-N 2 1 347.503 1.274 20 0 EDADMP CC[NH+](C)C[C@H](O)CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000404200371 447597002 /nfs/dbraw/zinc/59/70/02/447597002.db2.gz JVMIRLWCLNSLFL-UFYCRDLUSA-N 2 1 347.503 1.274 20 0 EDADMP CC1CC[NH+](C[C@H](O)CNC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000459173742 447604973 /nfs/dbraw/zinc/60/49/73/447604973.db2.gz ZPIFDRQECUHJRY-QGZVFWFLSA-N 2 1 340.512 1.253 20 0 EDADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCc1cc(C)nc(C)c1 ZINC000422585419 447655896 /nfs/dbraw/zinc/65/58/96/447655896.db2.gz CNPPGKQQBKSLIE-IAGOWNOFSA-N 2 1 344.459 1.400 20 0 EDADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCc1ccccc1-n1ccnc1 ZINC000457935194 447676888 /nfs/dbraw/zinc/67/68/88/447676888.db2.gz GCWNPZIZCRNCIF-OAHLLOKOSA-N 2 1 343.431 1.080 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCc1ccccc1-n1ccnc1 ZINC000457935194 447676895 /nfs/dbraw/zinc/67/68/95/447676895.db2.gz GCWNPZIZCRNCIF-OAHLLOKOSA-N 2 1 343.431 1.080 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000422631551 447679158 /nfs/dbraw/zinc/67/91/58/447679158.db2.gz FQHIASKKAIVRJJ-ZOBUZTSGSA-N 2 1 333.476 1.959 20 0 EDADMP COc1ccc(CN(C)C(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000422631551 447679164 /nfs/dbraw/zinc/67/91/64/447679164.db2.gz FQHIASKKAIVRJJ-ZOBUZTSGSA-N 2 1 333.476 1.959 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000422632996 447680182 /nfs/dbraw/zinc/68/01/82/447680182.db2.gz HQHTULHFKTXRPN-RBSFLKMASA-N 2 1 337.439 1.626 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000422632996 447680187 /nfs/dbraw/zinc/68/01/87/447680187.db2.gz HQHTULHFKTXRPN-RBSFLKMASA-N 2 1 337.439 1.626 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](CCNS(=O)(=O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000422636608 447682583 /nfs/dbraw/zinc/68/25/83/447682583.db2.gz NFJAWQONBVJEDF-KFWWJZLASA-N 2 1 325.478 1.270 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCNS(=O)(=O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000422636608 447682588 /nfs/dbraw/zinc/68/25/88/447682588.db2.gz NFJAWQONBVJEDF-KFWWJZLASA-N 2 1 325.478 1.270 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCCOc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000422640702 447684259 /nfs/dbraw/zinc/68/42/59/447684259.db2.gz VVPSSGQGNCHLMP-RBSFLKMASA-N 2 1 337.439 1.626 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCCOc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000422640702 447684263 /nfs/dbraw/zinc/68/42/63/447684263.db2.gz VVPSSGQGNCHLMP-RBSFLKMASA-N 2 1 337.439 1.626 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000416943643 447720288 /nfs/dbraw/zinc/72/02/88/447720288.db2.gz MACCFXXXSWNIHM-HLLBOEOZSA-N 2 1 334.464 1.485 20 0 EDADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000496147098 447729008 /nfs/dbraw/zinc/72/90/08/447729008.db2.gz NUMKYAMQHXYSNM-KFWWJZLASA-N 2 1 329.485 1.534 20 0 EDADMP CCOC[C@@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000459679150 447737817 /nfs/dbraw/zinc/73/78/17/447737817.db2.gz SIPAENSCUPLMKU-KRWDZBQOSA-N 2 1 333.480 1.619 20 0 EDADMP CCOC[C@@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000459679150 447737819 /nfs/dbraw/zinc/73/78/19/447737819.db2.gz SIPAENSCUPLMKU-KRWDZBQOSA-N 2 1 333.480 1.619 20 0 EDADMP CC(C)(C)NC(=O)CN1CCC(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422839969 447765567 /nfs/dbraw/zinc/76/55/67/447765567.db2.gz RPZSBIWTTOMIOL-IAGOWNOFSA-N 2 1 338.540 1.720 20 0 EDADMP COc1cc(C[C@@H](CO)C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc(OC)c1 ZINC000422823583 447760815 /nfs/dbraw/zinc/76/08/15/447760815.db2.gz LVIXFDSPJWPUGE-IDHHARJASA-N 2 1 336.476 1.975 20 0 EDADMP CCOCCNC(=O)C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471845849 447815347 /nfs/dbraw/zinc/81/53/47/447815347.db2.gz MCVIFIGMLIYREK-OALUTQOASA-N 2 1 347.503 1.811 20 0 EDADMP CCOCCNC(=O)C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471845849 447815350 /nfs/dbraw/zinc/81/53/50/447815350.db2.gz MCVIFIGMLIYREK-OALUTQOASA-N 2 1 347.503 1.811 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422924005 447773752 /nfs/dbraw/zinc/77/37/52/447773752.db2.gz AIYVXOQPAITCDQ-UHFFFAOYSA-N 2 1 325.478 1.559 20 0 EDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)C[NH3+] ZINC000431023351 447789777 /nfs/dbraw/zinc/78/97/77/447789777.db2.gz LGUHMMYGPYVMLW-UHFFFAOYSA-N 3 1 338.540 1.626 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)CC1 ZINC000452004916 447801041 /nfs/dbraw/zinc/80/10/41/447801041.db2.gz BXYSVCVVPHMAGC-QGZVFWFLSA-N 2 1 339.528 1.138 20 0 EDADMP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000423111904 447807798 /nfs/dbraw/zinc/80/77/98/447807798.db2.gz RGCMYVNADSUOMV-WRWGMCAJSA-N 2 1 325.482 1.794 20 0 EDADMP CN1C[C@@H](C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)OC1=O ZINC000496536207 447811509 /nfs/dbraw/zinc/81/15/09/447811509.db2.gz ALSUCTZQKIDVKK-AWEZNQCLSA-N 2 1 326.400 1.807 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000487638528 447835195 /nfs/dbraw/zinc/83/51/95/447835195.db2.gz SDUXKCJPCCEESE-KBAYOESNSA-N 2 1 347.528 1.918 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000487638528 447835196 /nfs/dbraw/zinc/83/51/96/447835196.db2.gz SDUXKCJPCCEESE-KBAYOESNSA-N 2 1 347.528 1.918 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000487638528 447835197 /nfs/dbraw/zinc/83/51/97/447835197.db2.gz SDUXKCJPCCEESE-KBAYOESNSA-N 2 1 347.528 1.918 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000487638528 447835198 /nfs/dbraw/zinc/83/51/98/447835198.db2.gz SDUXKCJPCCEESE-KBAYOESNSA-N 2 1 347.528 1.918 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530573871 447918090 /nfs/dbraw/zinc/91/80/90/447918090.db2.gz XVHNBGJVRUSTBL-YLJYHZDGSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530573871 447918099 /nfs/dbraw/zinc/91/80/99/447918099.db2.gz XVHNBGJVRUSTBL-YLJYHZDGSA-N 2 1 345.487 1.472 20 0 EDADMP COCC[NH2+]C1CCN(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000570051402 447938553 /nfs/dbraw/zinc/93/85/53/447938553.db2.gz SBCBLXUZWJECFG-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000576183018 447993485 /nfs/dbraw/zinc/99/34/85/447993485.db2.gz LERCTBDZLQMGAH-QYZOEREBSA-N 2 1 341.540 1.512 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000576183018 447993491 /nfs/dbraw/zinc/99/34/91/447993491.db2.gz LERCTBDZLQMGAH-QYZOEREBSA-N 2 1 341.540 1.512 20 0 EDADMP COCC[NH+](C)C[C@H](O)CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000576183018 447993496 /nfs/dbraw/zinc/99/34/96/447993496.db2.gz LERCTBDZLQMGAH-QYZOEREBSA-N 2 1 341.540 1.512 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C2(N3CCOCC3)CCC2)CC1 ZINC000570386392 447998751 /nfs/dbraw/zinc/99/87/51/447998751.db2.gz QGIOVZIBSGKBGL-UHFFFAOYSA-N 2 1 337.508 1.820 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000553679373 448000170 /nfs/dbraw/zinc/00/01/70/448000170.db2.gz FOUZCTNVOXTFAA-INIZCTEOSA-N 2 1 345.491 1.438 20 0 EDADMP C[N@H+](C[C@@H](O)C[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496891955 448009082 /nfs/dbraw/zinc/00/90/82/448009082.db2.gz OYGSFTCJCQDWPZ-INIZCTEOSA-N 2 1 339.480 1.598 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496891955 448009088 /nfs/dbraw/zinc/00/90/88/448009088.db2.gz OYGSFTCJCQDWPZ-INIZCTEOSA-N 2 1 339.480 1.598 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)CNC[C@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000576100680 447971066 /nfs/dbraw/zinc/97/10/66/447971066.db2.gz XDLYRESKPYZBHG-KVPLUYHFSA-N 2 1 349.519 1.219 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)CNC[C@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000576100680 447971074 /nfs/dbraw/zinc/97/10/74/447971074.db2.gz XDLYRESKPYZBHG-KVPLUYHFSA-N 2 1 349.519 1.219 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1C ZINC000491447350 448030624 /nfs/dbraw/zinc/03/06/24/448030624.db2.gz OIPZEBMOGARSOJ-KBPBESRZSA-N 2 1 334.468 1.754 20 0 EDADMP O=C1O[C@@]2(CN1C[N@@H+](C[C@@H]1CCOC1)C1CC1)C[NH+]1CCC2CC1 ZINC000497284746 448038796 /nfs/dbraw/zinc/03/87/96/448038796.db2.gz IRDBLVXDXQOKNX-KBXCAEBGSA-N 2 1 335.448 1.361 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531292562 448054086 /nfs/dbraw/zinc/05/40/86/448054086.db2.gz UFPTYBXXAOLABG-APWZRJJASA-N 2 1 333.476 1.470 20 0 EDADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531292562 448054089 /nfs/dbraw/zinc/05/40/89/448054089.db2.gz UFPTYBXXAOLABG-APWZRJJASA-N 2 1 333.476 1.470 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000531297371 448056355 /nfs/dbraw/zinc/05/63/55/448056355.db2.gz PRSAHMPWEDYRNK-QFBILLFUSA-N 2 1 331.460 1.081 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000531297371 448056358 /nfs/dbraw/zinc/05/63/58/448056358.db2.gz PRSAHMPWEDYRNK-QFBILLFUSA-N 2 1 331.460 1.081 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000531297371 448056360 /nfs/dbraw/zinc/05/63/60/448056360.db2.gz PRSAHMPWEDYRNK-QFBILLFUSA-N 2 1 331.460 1.081 20 0 EDADMP C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000576647852 448106339 /nfs/dbraw/zinc/10/63/39/448106339.db2.gz HFNINJUCKZDYSP-YOEHRIQHSA-N 2 1 337.533 1.971 20 0 EDADMP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000571679572 448189795 /nfs/dbraw/zinc/18/97/95/448189795.db2.gz NGBVGIMDJBHYFS-CABCVRRESA-N 2 1 338.402 1.407 20 0 EDADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000571762240 448201472 /nfs/dbraw/zinc/20/14/72/448201472.db2.gz DSHVUNROMFNPNB-ZWKOTPCHSA-N 2 1 336.476 1.480 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)[C@]2(C)CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000577368009 448277690 /nfs/dbraw/zinc/27/76/90/448277690.db2.gz HDCZNDHRXDXDLB-UYAOXDASSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)[C@]2(C)CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000577368009 448277692 /nfs/dbraw/zinc/27/76/92/448277692.db2.gz HDCZNDHRXDXDLB-UYAOXDASSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)[C@]2(C)CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000577368009 448277694 /nfs/dbraw/zinc/27/76/94/448277694.db2.gz HDCZNDHRXDXDLB-UYAOXDASSA-N 2 1 344.503 1.481 20 0 EDADMP CCCN(C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000515221390 448277744 /nfs/dbraw/zinc/27/77/44/448277744.db2.gz MUYGQEKUBPKSAM-OWCLPIDISA-N 2 1 340.512 1.658 20 0 EDADMP CCCN(C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000515221390 448277746 /nfs/dbraw/zinc/27/77/46/448277746.db2.gz MUYGQEKUBPKSAM-OWCLPIDISA-N 2 1 340.512 1.658 20 0 EDADMP COc1cccc(C[C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000515405067 448308011 /nfs/dbraw/zinc/30/80/11/448308011.db2.gz VZXKOHRLLRFCNP-ZWKOTPCHSA-N 2 1 345.487 1.899 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000582698663 448311900 /nfs/dbraw/zinc/31/19/00/448311900.db2.gz WMRBRXGIIOZMSU-BBWFWOEESA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000582698663 448311906 /nfs/dbraw/zinc/31/19/06/448311906.db2.gz WMRBRXGIIOZMSU-BBWFWOEESA-N 2 1 340.512 1.658 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H](O)CNCC(C)(C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000572394507 448367495 /nfs/dbraw/zinc/36/74/95/448367495.db2.gz FKLVIJUHCFVKJK-BBWFWOEESA-N 2 1 327.513 1.168 20 0 EDADMP C[C@@H]1C[N@H+](C[C@@H](O)CNCC(C)(C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000572394507 448367499 /nfs/dbraw/zinc/36/74/99/448367499.db2.gz FKLVIJUHCFVKJK-BBWFWOEESA-N 2 1 327.513 1.168 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH2+]CC1 ZINC000582953925 448387139 /nfs/dbraw/zinc/38/71/39/448387139.db2.gz DYCKCEZNXNHWPV-QAPCUYQASA-N 2 1 330.476 1.948 20 0 EDADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516167884 448390117 /nfs/dbraw/zinc/39/01/17/448390117.db2.gz JXCIFXIXNRESPL-ZXZQKFIBSA-N 2 1 334.508 1.876 20 0 EDADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC000533603144 448419606 /nfs/dbraw/zinc/41/96/06/448419606.db2.gz QWEOKRJEAZUNNN-WKILWMFISA-N 2 1 340.512 1.214 20 0 EDADMP CC(=O)c1cccc(OC[C@H](O)C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000578006395 448437116 /nfs/dbraw/zinc/43/71/16/448437116.db2.gz DQQBANOWIXFJLF-FUHWJXTLSA-N 2 1 334.460 1.950 20 0 EDADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC[C@@H]21 ZINC000572759587 448458865 /nfs/dbraw/zinc/45/88/65/448458865.db2.gz LCOWKKMJHRMFGO-OIISXLGYSA-N 2 1 331.464 1.364 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000572858013 448483783 /nfs/dbraw/zinc/48/37/83/448483783.db2.gz AIHDEXKQXMUEEO-VYDXJSESSA-N 2 1 346.475 1.869 20 0 EDADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCN4CC[NH2+]CC4)C3)nc2c1 ZINC000578237760 448495565 /nfs/dbraw/zinc/49/55/65/448495565.db2.gz IKKIOSJYDNMEBQ-MRXNPFEDSA-N 2 1 327.476 1.956 20 0 EDADMP Cc1ccc2nc([C@@H]3CCC[N@H+](CCN4CC[NH2+]CC4)C3)[nH]c2c1 ZINC000578237760 448495573 /nfs/dbraw/zinc/49/55/73/448495573.db2.gz IKKIOSJYDNMEBQ-MRXNPFEDSA-N 2 1 327.476 1.956 20 0 EDADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](CCN4CC[NH2+]CC4)C3)[nH]c2c1 ZINC000578237760 448495580 /nfs/dbraw/zinc/49/55/80/448495580.db2.gz IKKIOSJYDNMEBQ-MRXNPFEDSA-N 2 1 327.476 1.956 20 0 EDADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000566573124 448512300 /nfs/dbraw/zinc/51/23/00/448512300.db2.gz PLIFYEXBHDNKKU-KRWDZBQOSA-N 2 1 348.491 1.066 20 0 EDADMP C[C@H](NC(=O)N1CCC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000578489419 448558130 /nfs/dbraw/zinc/55/81/30/448558130.db2.gz XYYQOUOYPBUQRR-WMZOPIPTSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@H](NC(=O)N1CCC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000578489419 448558135 /nfs/dbraw/zinc/55/81/35/448558135.db2.gz XYYQOUOYPBUQRR-WMZOPIPTSA-N 2 1 346.475 1.281 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)CNCC[NH+]2[C@H](C)CCC[C@H]2C)C[C@H](C)O1 ZINC000578499219 448560240 /nfs/dbraw/zinc/56/02/40/448560240.db2.gz DRSGELNWIOSSJK-HSFUPAIVSA-N 2 1 327.513 1.309 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)CNCC[NH+]2[C@H](C)CCC[C@H]2C)C[C@H](C)O1 ZINC000578499219 448560246 /nfs/dbraw/zinc/56/02/46/448560246.db2.gz DRSGELNWIOSSJK-HSFUPAIVSA-N 2 1 327.513 1.309 20 0 EDADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000578502609 448561834 /nfs/dbraw/zinc/56/18/34/448561834.db2.gz WKIDKANGSSFWFT-MRXNPFEDSA-N 2 1 348.495 1.223 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000537961719 448574889 /nfs/dbraw/zinc/57/48/89/448574889.db2.gz VLMWSJXZHDFHOY-OWCLPIDISA-N 2 1 343.479 1.271 20 0 EDADMP CC[NH+]1CCC(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000566889718 448576538 /nfs/dbraw/zinc/57/65/38/448576538.db2.gz VDSPJXCHVVXXJX-FQEVSTJZSA-N 2 1 345.487 1.472 20 0 EDADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000578417218 448537967 /nfs/dbraw/zinc/53/79/67/448537967.db2.gz PQOSBUSEZMPJFR-CABCVRRESA-N 2 1 336.432 1.571 20 0 EDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000578417218 448537974 /nfs/dbraw/zinc/53/79/74/448537974.db2.gz PQOSBUSEZMPJFR-CABCVRRESA-N 2 1 336.432 1.571 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)[C@@H](C)C1 ZINC000528706824 448639462 /nfs/dbraw/zinc/63/94/62/448639462.db2.gz DYLLXTHALOXLLK-KBPBESRZSA-N 2 1 348.447 1.087 20 0 EDADMP CN(C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000567242919 448647561 /nfs/dbraw/zinc/64/75/61/448647561.db2.gz AUUHFGYBQHTASR-KRWDZBQOSA-N 2 1 332.448 1.387 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000518179202 448652063 /nfs/dbraw/zinc/65/20/63/448652063.db2.gz OEONAXWHDAYHFJ-INIZCTEOSA-N 2 1 338.540 1.687 20 0 EDADMP CO[C@@H](C)c1noc(CN2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)CC2)n1 ZINC000567276566 448655996 /nfs/dbraw/zinc/65/59/96/448655996.db2.gz NMPOGQQTNBTSOD-LSDHHAIUSA-N 2 1 337.468 1.284 20 0 EDADMP C[C@]1(CO)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@]1(C)CO ZINC000528754602 448662797 /nfs/dbraw/zinc/66/27/97/448662797.db2.gz NQQYOQSYOAWLCO-BGYRXZFFSA-N 2 1 348.487 1.332 20 0 EDADMP C[C@]1(CO)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@]1(C)CO ZINC000528754602 448662801 /nfs/dbraw/zinc/66/28/01/448662801.db2.gz NQQYOQSYOAWLCO-BGYRXZFFSA-N 2 1 348.487 1.332 20 0 EDADMP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000517897083 448627351 /nfs/dbraw/zinc/62/73/51/448627351.db2.gz PQCRAIVCPDWWOH-JCGIZDLHSA-N 2 1 328.460 1.607 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000528866895 448698672 /nfs/dbraw/zinc/69/86/72/448698672.db2.gz YMFJQAYUPRCPSU-ROUUACIJSA-N 2 1 342.443 1.191 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000528866895 448698677 /nfs/dbraw/zinc/69/86/77/448698677.db2.gz YMFJQAYUPRCPSU-ROUUACIJSA-N 2 1 342.443 1.191 20 0 EDADMP C[C@@H](CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)n1ccnc1 ZINC000579117608 448719664 /nfs/dbraw/zinc/71/96/64/448719664.db2.gz NCEVVLNKABMADJ-LPHOPBHVSA-N 2 1 342.443 1.587 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@H]1C ZINC000567597710 448719969 /nfs/dbraw/zinc/71/99/69/448719969.db2.gz IURIPVJXLHJPKW-BPQIPLTHSA-N 2 1 346.475 1.104 20 0 EDADMP COCC[N@H+]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@H]1C ZINC000567597710 448719975 /nfs/dbraw/zinc/71/99/75/448719975.db2.gz IURIPVJXLHJPKW-BPQIPLTHSA-N 2 1 346.475 1.104 20 0 EDADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000578969119 448680310 /nfs/dbraw/zinc/68/03/10/448680310.db2.gz GFHKSYPLQMQCNL-BHIYHBOVSA-N 2 1 342.487 1.732 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCC[N@@H+]3CCc4sccc4C3)C[C@H]21 ZINC000518939519 448724068 /nfs/dbraw/zinc/72/40/68/448724068.db2.gz ALTITAYMDZPJCP-NUEKZKHPSA-N 2 1 348.516 1.875 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)C[C@H]21 ZINC000518939519 448724074 /nfs/dbraw/zinc/72/40/74/448724074.db2.gz ALTITAYMDZPJCP-NUEKZKHPSA-N 2 1 348.516 1.875 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]cnc3C2)CC[N@@H+](C2CCC2)C1 ZINC000579545684 448815322 /nfs/dbraw/zinc/81/53/22/448815322.db2.gz LXBRSERIFQPILD-KBPBESRZSA-N 2 1 331.464 1.783 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]cnc3C2)CC[N@H+](C2CCC2)C1 ZINC000579545684 448815326 /nfs/dbraw/zinc/81/53/26/448815326.db2.gz LXBRSERIFQPILD-KBPBESRZSA-N 2 1 331.464 1.783 20 0 EDADMP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000520481587 448902355 /nfs/dbraw/zinc/90/23/55/448902355.db2.gz VRRVRRJEZYZIBS-KRWDZBQOSA-N 2 1 331.460 1.666 20 0 EDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592563102 448902732 /nfs/dbraw/zinc/90/27/32/448902732.db2.gz WAIDRSNZDMUSLC-SQWLQELKSA-N 2 1 331.464 1.276 20 0 EDADMP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000574569188 448904188 /nfs/dbraw/zinc/90/41/88/448904188.db2.gz KCTMQXSADLNDQB-KSSFIOAISA-N 2 1 328.460 1.738 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[C@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000520833114 448935610 /nfs/dbraw/zinc/93/56/10/448935610.db2.gz KXCVHEFIBPVHPO-MJGOQNOKSA-N 2 1 344.503 1.451 20 0 EDADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000574625106 448918214 /nfs/dbraw/zinc/91/82/14/448918214.db2.gz WDYUCDCKHPOOEX-KRWDZBQOSA-N 2 1 348.491 1.968 20 0 EDADMP C[C@H]1C[C@H](CCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[N@H+]1Cc1ccccc1 ZINC000520771052 448928328 /nfs/dbraw/zinc/92/83/28/448928328.db2.gz MAERAQGEPZWKBC-GPFWEFOESA-N 2 1 342.487 1.804 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)[C@H]1CCc2cncn2C1)[NH+](C)C ZINC000579838415 448891723 /nfs/dbraw/zinc/89/17/23/448891723.db2.gz UZKVKTDCASMMMC-WMLDXEAASA-N 2 1 342.443 1.873 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)CC2 ZINC000520415290 448896187 /nfs/dbraw/zinc/89/61/87/448896187.db2.gz HSDHPBCOUPBXRD-HNNXBMFYSA-N 2 1 334.464 1.059 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)CC2 ZINC000520415290 448896190 /nfs/dbraw/zinc/89/61/90/448896190.db2.gz HSDHPBCOUPBXRD-HNNXBMFYSA-N 2 1 334.464 1.059 20 0 EDADMP O[C@H](C[NH2+]C[C@H](O)COCc1ccccc1F)C[NH+]1CCCCC1 ZINC000574757248 448949462 /nfs/dbraw/zinc/94/94/62/448949462.db2.gz VSUSNBGSMODNGQ-SJORKVTESA-N 2 1 340.439 1.140 20 0 EDADMP CN(C)[C@H](CNC[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000574804116 448959580 /nfs/dbraw/zinc/95/95/80/448959580.db2.gz XUPNSSNRYSJWIW-WMLDXEAASA-N 2 1 325.884 1.987 20 0 EDADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000548023095 448969057 /nfs/dbraw/zinc/96/90/57/448969057.db2.gz QOVWNYJZXOLQDT-LSDHHAIUSA-N 2 1 336.505 1.684 20 0 EDADMP Cc1ncsc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000548023095 448969061 /nfs/dbraw/zinc/96/90/61/448969061.db2.gz QOVWNYJZXOLQDT-LSDHHAIUSA-N 2 1 336.505 1.684 20 0 EDADMP Cc1ncsc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000548023095 448969065 /nfs/dbraw/zinc/96/90/65/448969065.db2.gz QOVWNYJZXOLQDT-LSDHHAIUSA-N 2 1 336.505 1.684 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000569203148 448978065 /nfs/dbraw/zinc/97/80/65/448978065.db2.gz SALBJMNVTQDPGB-FGTMMUONSA-N 2 1 330.476 1.916 20 0 EDADMP O=C(Nc1cnc2n1CCCC2)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000569558306 449042099 /nfs/dbraw/zinc/04/20/99/449042099.db2.gz MNJJLJRTZOVZCD-LJQANCHMSA-N 2 1 340.427 1.795 20 0 EDADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000575174689 449053607 /nfs/dbraw/zinc/05/36/07/449053607.db2.gz OQOLNHQVVDKWQR-KRWDZBQOSA-N 2 1 326.868 1.944 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000522176906 449060255 /nfs/dbraw/zinc/06/02/55/449060255.db2.gz ALAZZJJQOMPOOR-GOSISDBHSA-N 2 1 348.491 1.378 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522176906 449060259 /nfs/dbraw/zinc/06/02/59/449060259.db2.gz ALAZZJJQOMPOOR-GOSISDBHSA-N 2 1 348.491 1.378 20 0 EDADMP COCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522176906 449060265 /nfs/dbraw/zinc/06/02/65/449060265.db2.gz ALAZZJJQOMPOOR-GOSISDBHSA-N 2 1 348.491 1.378 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4COCCN4)[C@H]3C2)cc1 ZINC000530227631 449088536 /nfs/dbraw/zinc/08/85/36/449088536.db2.gz UJPOSJUHEXPYQS-MUGJNUQGSA-N 2 1 329.488 1.865 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000593733355 449168344 /nfs/dbraw/zinc/16/83/44/449168344.db2.gz LUVYVJYJSYQCEX-BBRMVZONSA-N 2 1 348.447 1.793 20 0 EDADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000593733355 449168347 /nfs/dbraw/zinc/16/83/47/449168347.db2.gz LUVYVJYJSYQCEX-BBRMVZONSA-N 2 1 348.447 1.793 20 0 EDADMP C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NCc2cccs2)[C@@H]1CC[NH3+] ZINC000593733907 449169749 /nfs/dbraw/zinc/16/97/49/449169749.db2.gz NYOPKISMULZCMC-TZMCWYRMSA-N 2 1 338.477 1.523 20 0 EDADMP C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2cccs2)[C@@H]1CC[NH3+] ZINC000593733907 449169758 /nfs/dbraw/zinc/16/97/58/449169758.db2.gz NYOPKISMULZCMC-TZMCWYRMSA-N 2 1 338.477 1.523 20 0 EDADMP CCOC(=O)CC(C)(C)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595863063 449215121 /nfs/dbraw/zinc/21/51/21/449215121.db2.gz KFMTZRBGDASPMV-MRXNPFEDSA-N 2 1 326.481 1.887 20 0 EDADMP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@H]3CC[N@H+](C4CCCCC4)C3)c21 ZINC000595966563 449288726 /nfs/dbraw/zinc/28/87/26/449288726.db2.gz QIHAHGQWSFAOIP-GJZGRUSLSA-N 2 1 345.491 1.856 20 0 EDADMP Nc1ccc(-c2cccc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)n2)cc1 ZINC000602018958 449277734 /nfs/dbraw/zinc/27/77/34/449277734.db2.gz CRVAALYBRCGXPT-DLBZAZTESA-N 2 1 337.427 1.075 20 0 EDADMP Nc1ccc(-c2cccc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)n2)cc1 ZINC000602018958 449277738 /nfs/dbraw/zinc/27/77/38/449277738.db2.gz CRVAALYBRCGXPT-DLBZAZTESA-N 2 1 337.427 1.075 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)C1 ZINC000602469281 449615667 /nfs/dbraw/zinc/61/56/67/449615667.db2.gz PWHWXRUIDZGUHJ-QKFKETGDSA-N 2 1 343.537 1.114 20 0 EDADMP CC(C)Nc1ncccc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617505942 449654230 /nfs/dbraw/zinc/65/42/30/449654230.db2.gz WAMVWSXIPQPLIK-HNNXBMFYSA-N 2 1 335.496 1.904 20 0 EDADMP CC(C)Nc1ncccc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617505942 449654236 /nfs/dbraw/zinc/65/42/36/449654236.db2.gz WAMVWSXIPQPLIK-HNNXBMFYSA-N 2 1 335.496 1.904 20 0 EDADMP CO[C@](C)(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000617505397 449654282 /nfs/dbraw/zinc/65/42/82/449654282.db2.gz BAAVLTCQAOYIBP-LPHOPBHVSA-N 2 1 335.492 1.936 20 0 EDADMP CO[C@](C)(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000617505397 449654284 /nfs/dbraw/zinc/65/42/84/449654284.db2.gz BAAVLTCQAOYIBP-LPHOPBHVSA-N 2 1 335.492 1.936 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2nccnc21 ZINC000617507031 449654857 /nfs/dbraw/zinc/65/48/57/449654857.db2.gz FWPKSUYMEAFGMZ-AWEZNQCLSA-N 2 1 329.448 1.632 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2nccnc21 ZINC000617507031 449654863 /nfs/dbraw/zinc/65/48/63/449654863.db2.gz FWPKSUYMEAFGMZ-AWEZNQCLSA-N 2 1 329.448 1.632 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnc2nccnc2c1 ZINC000617507064 449655450 /nfs/dbraw/zinc/65/54/50/449655450.db2.gz GWSZUEJDHHAFJR-ZDUSSCGKSA-N 2 1 330.436 1.027 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnc2nccnc2c1 ZINC000617507064 449655454 /nfs/dbraw/zinc/65/54/54/449655454.db2.gz GWSZUEJDHHAFJR-ZDUSSCGKSA-N 2 1 330.436 1.027 20 0 EDADMP COC(=O)c1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)on1 ZINC000602532955 449655889 /nfs/dbraw/zinc/65/58/89/449655889.db2.gz MEMFFULACYHYCB-UHFFFAOYSA-N 2 1 336.436 1.109 20 0 EDADMP CC(=O)NCc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617503245 449647584 /nfs/dbraw/zinc/64/75/84/449647584.db2.gz ASMWUJURJVBVAQ-HNNXBMFYSA-N 2 1 348.491 1.325 20 0 EDADMP CC(=O)NCc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617503245 449647588 /nfs/dbraw/zinc/64/75/88/449647588.db2.gz ASMWUJURJVBVAQ-HNNXBMFYSA-N 2 1 348.491 1.325 20 0 EDADMP COC(=O)CCN1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1=O ZINC000594722801 449648649 /nfs/dbraw/zinc/64/86/49/449648649.db2.gz IYCKUALERXNJIY-MRXNPFEDSA-N 2 1 337.464 1.147 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(C4CC4)cnn3C)C2)CC1 ZINC000597026610 449773762 /nfs/dbraw/zinc/77/37/62/449773762.db2.gz PLHDHFBDHITEGR-QGZVFWFLSA-N 2 1 331.508 1.898 20 0 EDADMP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000601325268 449833270 /nfs/dbraw/zinc/83/32/70/449833270.db2.gz BTGDAFUWGFMXON-AWEZNQCLSA-N 2 1 349.822 1.624 20 0 EDADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000601325268 449833277 /nfs/dbraw/zinc/83/32/77/449833277.db2.gz BTGDAFUWGFMXON-AWEZNQCLSA-N 2 1 349.822 1.624 20 0 EDADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000612723851 449849545 /nfs/dbraw/zinc/84/95/45/449849545.db2.gz BQESCHUJPIEVBD-DZUCGIPZSA-N 2 1 328.460 1.999 20 0 EDADMP COC(=O)c1cnc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cn1 ZINC000599276117 449851825 /nfs/dbraw/zinc/85/18/25/449851825.db2.gz ZZLNMGFLCDXOAR-UHFFFAOYSA-N 2 1 348.447 1.198 20 0 EDADMP C[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000612897972 449932868 /nfs/dbraw/zinc/93/28/68/449932868.db2.gz AFXJQRQBUUNIBW-IEZWGBDMSA-N 2 1 330.476 1.948 20 0 EDADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1C ZINC000617974667 449956953 /nfs/dbraw/zinc/95/69/53/449956953.db2.gz VOSBYQXGULYVPL-CRAIPNDOSA-N 2 1 330.476 1.750 20 0 EDADMP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000609133429 449963575 /nfs/dbraw/zinc/96/35/75/449963575.db2.gz CNCOCXNRNLCIHB-HNNXBMFYSA-N 2 1 340.512 1.909 20 0 EDADMP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000612976656 449967543 /nfs/dbraw/zinc/96/75/43/449967543.db2.gz KWQBURBXRFXUAW-HZPDHXFCSA-N 2 1 336.480 1.025 20 0 EDADMP CO[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)[C@H]1CCOC1 ZINC000595341290 450054136 /nfs/dbraw/zinc/05/41/36/450054136.db2.gz VGFQHEWBDIALNI-RCCFBDPRSA-N 2 1 325.497 1.138 20 0 EDADMP C[NH+](C)CCOCCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000613284820 450118192 /nfs/dbraw/zinc/11/81/92/450118192.db2.gz PCBLTTILUCWKNA-UHFFFAOYSA-N 2 1 344.459 1.464 20 0 EDADMP C[NH+](C)CCOCCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000613284820 450118200 /nfs/dbraw/zinc/11/82/00/450118200.db2.gz PCBLTTILUCWKNA-UHFFFAOYSA-N 2 1 344.459 1.464 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613804298 450321421 /nfs/dbraw/zinc/32/14/21/450321421.db2.gz PSJFYCIESSEQIL-LJQANCHMSA-N 2 1 345.487 1.705 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC000619897391 450364106 /nfs/dbraw/zinc/36/41/06/450364106.db2.gz KKJWGRNBYZJLBJ-HNNXBMFYSA-N 2 1 331.464 1.048 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623380085 450509444 /nfs/dbraw/zinc/50/94/44/450509444.db2.gz RLXWFWLJBSUDON-HNNXBMFYSA-N 2 1 339.505 1.736 20 0 EDADMP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623380085 450509447 /nfs/dbraw/zinc/50/94/47/450509447.db2.gz RLXWFWLJBSUDON-HNNXBMFYSA-N 2 1 339.505 1.736 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623655925 450560785 /nfs/dbraw/zinc/56/07/85/450560785.db2.gz ITNUDBQAGNASQL-INIZCTEOSA-N 2 1 333.476 1.975 20 0 EDADMP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655925 450560787 /nfs/dbraw/zinc/56/07/87/450560787.db2.gz ITNUDBQAGNASQL-INIZCTEOSA-N 2 1 333.476 1.975 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)CC2 ZINC000620977388 450568038 /nfs/dbraw/zinc/56/80/38/450568038.db2.gz VRAFMFBDAQOQRX-DOTOQJQBSA-N 2 1 334.464 1.323 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000633039994 450637096 /nfs/dbraw/zinc/63/70/96/450637096.db2.gz GBTLKQDXTPZHLQ-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP CNS(=O)(=O)CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000621272169 450647594 /nfs/dbraw/zinc/64/75/94/450647594.db2.gz GCUMOLUEONPEIB-UHFFFAOYSA-N 2 1 340.493 1.169 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000624120604 450715584 /nfs/dbraw/zinc/71/55/84/450715584.db2.gz CFQAXQIWCYCMFD-HUUCEWRRSA-N 2 1 339.505 1.977 20 0 EDADMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624120604 450715589 /nfs/dbraw/zinc/71/55/89/450715589.db2.gz CFQAXQIWCYCMFD-HUUCEWRRSA-N 2 1 339.505 1.977 20 0 EDADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1([NH3+])CCOCC1 ZINC000629520933 450724127 /nfs/dbraw/zinc/72/41/27/450724127.db2.gz NBBOGLFBRMTSDJ-NSHDSACASA-N 2 1 344.253 1.097 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000629564713 450739325 /nfs/dbraw/zinc/73/93/25/450739325.db2.gz BCZHUSQHRFYYDX-UHFFFAOYSA-N 2 1 333.885 1.528 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000629564713 450739331 /nfs/dbraw/zinc/73/93/31/450739331.db2.gz BCZHUSQHRFYYDX-UHFFFAOYSA-N 2 1 333.885 1.528 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000629570025 450740721 /nfs/dbraw/zinc/74/07/21/450740721.db2.gz SQIUFRJZMUJCJS-CABCVRRESA-N 2 1 339.505 1.968 20 0 EDADMP O[C@@H](C[NH2+]CCOc1ccc(C(F)(F)F)cn1)C[NH+]1CCCC1 ZINC000629568486 450741437 /nfs/dbraw/zinc/74/14/37/450741437.db2.gz KSNDSCZQKHBFLF-ZDUSSCGKSA-N 2 1 333.354 1.526 20 0 EDADMP C[C@H](c1ccncc1)N1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629571512 450742263 /nfs/dbraw/zinc/74/22/63/450742263.db2.gz VNSZRSYIDUEGNE-APWZRJJASA-N 2 1 332.492 1.653 20 0 EDADMP CCC[N@@H+](C)[C@@H](CNc1nc(N)[nH+]c(N)n1)c1ccc(Cl)cc1 ZINC000624209507 450747465 /nfs/dbraw/zinc/74/74/65/450747465.db2.gz HKVFUZAHWZCJQP-LBPRGKRZSA-N 2 1 335.843 1.267 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]CCc1cccc2c1OC(F)(F)O2)C1CC1 ZINC000629608255 450761275 /nfs/dbraw/zinc/76/12/75/450761275.db2.gz RTXVBBGPNFBLIE-CYBMUJFWSA-N 2 1 328.359 1.595 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]CCc1cccc2c1OC(F)(F)O2)C1CC1 ZINC000629608255 450761278 /nfs/dbraw/zinc/76/12/78/450761278.db2.gz RTXVBBGPNFBLIE-CYBMUJFWSA-N 2 1 328.359 1.595 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631839332 450807161 /nfs/dbraw/zinc/80/71/61/450807161.db2.gz DUSJLZFVABQKQM-CRAIPNDOSA-N 2 1 333.476 1.754 20 0 EDADMP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631839332 450807165 /nfs/dbraw/zinc/80/71/65/450807165.db2.gz DUSJLZFVABQKQM-CRAIPNDOSA-N 2 1 333.476 1.754 20 0 EDADMP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842975 450813316 /nfs/dbraw/zinc/81/33/16/450813316.db2.gz IDIFLZRSNTYGPL-OWCLPIDISA-N 2 1 346.475 1.273 20 0 EDADMP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842975 450813321 /nfs/dbraw/zinc/81/33/21/450813321.db2.gz IDIFLZRSNTYGPL-OWCLPIDISA-N 2 1 346.475 1.273 20 0 EDADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)[C@@H](c2ccccc2)C1 ZINC000627575193 450821444 /nfs/dbraw/zinc/82/14/44/450821444.db2.gz IAKURGSTBVUJDB-OTWHNJEPSA-N 2 1 345.487 1.295 20 0 EDADMP C[NH+]1C[C@H](C(=O)N[C@H]2CCC[N@H+](CCCO)C2)[C@@H](c2ccccc2)C1 ZINC000627575193 450821448 /nfs/dbraw/zinc/82/14/48/450821448.db2.gz IAKURGSTBVUJDB-OTWHNJEPSA-N 2 1 345.487 1.295 20 0 EDADMP C[NH+]1C[C@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)[C@@H](c2ccccc2)C1 ZINC000627575193 450821451 /nfs/dbraw/zinc/82/14/51/450821451.db2.gz IAKURGSTBVUJDB-OTWHNJEPSA-N 2 1 345.487 1.295 20 0 EDADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000624399026 450833400 /nfs/dbraw/zinc/83/34/00/450833400.db2.gz FCNAAJMVEBIULM-GOEBONIOSA-N 2 1 332.448 1.952 20 0 EDADMP Cn1c2cc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)ccc2oc1=O ZINC000631828847 450801598 /nfs/dbraw/zinc/80/15/98/450801598.db2.gz AATZKNQIHPMYNQ-HDMKZQKVSA-N 2 1 345.443 1.850 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631886225 450847693 /nfs/dbraw/zinc/84/76/93/450847693.db2.gz FYARRRPKCVYAFO-ZBFHGGJFSA-N 2 1 330.432 1.188 20 0 EDADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631886225 450847695 /nfs/dbraw/zinc/84/76/95/450847695.db2.gz FYARRRPKCVYAFO-ZBFHGGJFSA-N 2 1 330.432 1.188 20 0 EDADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccn1 ZINC000621776284 450864194 /nfs/dbraw/zinc/86/41/94/450864194.db2.gz HYJFGUVLEQVBTJ-SJORKVTESA-N 2 1 329.448 1.110 20 0 EDADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccn1 ZINC000621776284 450864197 /nfs/dbraw/zinc/86/41/97/450864197.db2.gz HYJFGUVLEQVBTJ-SJORKVTESA-N 2 1 329.448 1.110 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000629912803 450881712 /nfs/dbraw/zinc/88/17/12/450881712.db2.gz NFGYUBFDXBUNQB-ROUUACIJSA-N 2 1 331.460 1.081 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000629912803 450881720 /nfs/dbraw/zinc/88/17/20/450881720.db2.gz NFGYUBFDXBUNQB-ROUUACIJSA-N 2 1 331.460 1.081 20 0 EDADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000629912803 450881730 /nfs/dbraw/zinc/88/17/30/450881730.db2.gz NFGYUBFDXBUNQB-ROUUACIJSA-N 2 1 331.460 1.081 20 0 EDADMP Cc1nnc(CCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)o1 ZINC000635412119 450918520 /nfs/dbraw/zinc/91/85/20/450918520.db2.gz ZMCMLAQVBLKDRR-UHFFFAOYSA-N 2 1 330.392 1.096 20 0 EDADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1)C1CCC1 ZINC000629995945 450941337 /nfs/dbraw/zinc/94/13/37/450941337.db2.gz MUKPLZQKBKYLBK-GOSISDBHSA-N 2 1 331.460 1.006 20 0 EDADMP CN(CCOCC[NH3+])C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000626935062 451018004 /nfs/dbraw/zinc/01/80/04/451018004.db2.gz WMAMWCXAPFGKNJ-UHFFFAOYSA-N 2 1 334.464 1.052 20 0 EDADMP C[C@H](CNC(=O)N(C)CCOCC[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000626939493 451020449 /nfs/dbraw/zinc/02/04/49/451020449.db2.gz GSNBCFCQZNVCGS-CYBMUJFWSA-N 2 1 340.493 1.111 20 0 EDADMP C[C@H](CNC(=O)N(C)CCOCC[NH3+])[N@H+]1CCc2sccc2C1 ZINC000626939493 451020453 /nfs/dbraw/zinc/02/04/53/451020453.db2.gz GSNBCFCQZNVCGS-CYBMUJFWSA-N 2 1 340.493 1.111 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626946544 451025045 /nfs/dbraw/zinc/02/50/45/451025045.db2.gz ROJSEFWUIIUUGF-RDJZCZTQSA-N 2 1 346.475 1.629 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000633801281 451025324 /nfs/dbraw/zinc/02/53/24/451025324.db2.gz WUNRNIBVIFKCHL-PKOBYXMFSA-N 2 1 344.503 1.118 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC000633801281 451025325 /nfs/dbraw/zinc/02/53/25/451025325.db2.gz WUNRNIBVIFKCHL-PKOBYXMFSA-N 2 1 344.503 1.118 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626975480 451045679 /nfs/dbraw/zinc/04/56/79/451045679.db2.gz UTEXYGAMSXLAOD-OAHLLOKOSA-N 2 1 340.512 1.694 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC000635536159 451030749 /nfs/dbraw/zinc/03/07/49/451030749.db2.gz ROYOHPLLKSXUIX-OALUTQOASA-N 2 1 348.535 1.632 20 0 EDADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635536159 451030755 /nfs/dbraw/zinc/03/07/55/451030755.db2.gz ROYOHPLLKSXUIX-OALUTQOASA-N 2 1 348.535 1.632 20 0 EDADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635536159 451030761 /nfs/dbraw/zinc/03/07/61/451030761.db2.gz ROYOHPLLKSXUIX-OALUTQOASA-N 2 1 348.535 1.632 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC000635542719 451037935 /nfs/dbraw/zinc/03/79/35/451037935.db2.gz QNVXTLQGILBWAD-CVEARBPZSA-N 2 1 331.464 1.520 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC000635542719 451037942 /nfs/dbraw/zinc/03/79/42/451037942.db2.gz QNVXTLQGILBWAD-CVEARBPZSA-N 2 1 331.464 1.520 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000626975099 451043973 /nfs/dbraw/zinc/04/39/73/451043973.db2.gz NSKWZQYKLBHUKA-HNNXBMFYSA-N 2 1 334.464 1.314 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+]3C3CCCC3)CC2)C1 ZINC000635570932 451070862 /nfs/dbraw/zinc/07/08/62/451070862.db2.gz PGMHZHKAQADBSF-QZTJIDSGSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CC2)C1 ZINC000635570932 451070865 /nfs/dbraw/zinc/07/08/65/451070865.db2.gz PGMHZHKAQADBSF-QZTJIDSGSA-N 2 1 334.508 1.242 20 0 EDADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)CC2)C1 ZINC000635570932 451070869 /nfs/dbraw/zinc/07/08/69/451070869.db2.gz PGMHZHKAQADBSF-QZTJIDSGSA-N 2 1 334.508 1.242 20 0 EDADMP [NH3+]CC1(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627023586 451087737 /nfs/dbraw/zinc/08/77/37/451087737.db2.gz YNLYSVBSQBKOOY-KRWDZBQOSA-N 2 1 346.475 1.316 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627037703 451095658 /nfs/dbraw/zinc/09/56/58/451095658.db2.gz BJIWKRFJBNFWBR-YNEHKIRRSA-N 2 1 338.418 1.884 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[N@H+]1C ZINC000632200915 451109976 /nfs/dbraw/zinc/10/99/76/451109976.db2.gz MVAMYGVYPCHNEP-JKSUJKDBSA-N 2 1 334.464 1.369 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632255195 451145715 /nfs/dbraw/zinc/14/57/15/451145715.db2.gz MIIJSRCOYLNASK-HOTGVXAUSA-N 2 1 331.526 1.512 20 0 EDADMP C[NH+](C)CCc1ccc(CNS(=O)(=O)CC2([NH+](C)C)CC2)cc1 ZINC000632261974 451151615 /nfs/dbraw/zinc/15/16/15/451151615.db2.gz FPOFEKXSNMRZLL-UHFFFAOYSA-N 2 1 339.505 1.304 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@@H](C)O[C@H]3C)CC2)CC1 ZINC000634024772 451160107 /nfs/dbraw/zinc/16/01/07/451160107.db2.gz BNIKITSFLYLISN-RVKKMQEKSA-N 2 1 337.508 1.865 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000627176185 451165891 /nfs/dbraw/zinc/16/58/91/451165891.db2.gz MPNOXFMUCUQMRQ-KRWDZBQOSA-N 2 1 334.464 1.138 20 0 EDADMP Cc1nc(C)c(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)o1 ZINC000628211444 451183462 /nfs/dbraw/zinc/18/34/62/451183462.db2.gz NAAXVLJHMQZDPL-UHFFFAOYSA-N 2 1 330.432 1.873 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C[NH2+]1 ZINC000627209621 451187485 /nfs/dbraw/zinc/18/74/85/451187485.db2.gz HIYNEBBHQGQAFK-KBAYOESNSA-N 2 1 330.476 1.695 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C[NH2+]1 ZINC000627209621 451187488 /nfs/dbraw/zinc/18/74/88/451187488.db2.gz HIYNEBBHQGQAFK-KBAYOESNSA-N 2 1 330.476 1.695 20 0 EDADMP C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000632370071 451231532 /nfs/dbraw/zinc/23/15/32/451231532.db2.gz VFRGFCRTWBMEAR-CVEARBPZSA-N 2 1 347.507 1.828 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638098458 451262938 /nfs/dbraw/zinc/26/29/38/451262938.db2.gz GCEOMVCJQGUXPW-QGZVFWFLSA-N 2 1 331.460 1.102 20 0 EDADMP C[C@@H](O)CN1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC000635818712 451267224 /nfs/dbraw/zinc/26/72/24/451267224.db2.gz KXNHTKQJAYZGFY-IAGOWNOFSA-N 2 1 333.476 1.074 20 0 EDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC000638112120 451279249 /nfs/dbraw/zinc/27/92/49/451279249.db2.gz QMJVNBWRVDTSGJ-VKJFTORMSA-N 2 1 325.497 1.770 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000638113234 451280693 /nfs/dbraw/zinc/28/06/93/451280693.db2.gz AFHPBEMCWRRXQR-BBRMVZONSA-N 2 1 325.478 1.496 20 0 EDADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000638113234 451280696 /nfs/dbraw/zinc/28/06/96/451280696.db2.gz AFHPBEMCWRRXQR-BBRMVZONSA-N 2 1 325.478 1.496 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000638113234 451280698 /nfs/dbraw/zinc/28/06/98/451280698.db2.gz AFHPBEMCWRRXQR-BBRMVZONSA-N 2 1 325.478 1.496 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)c2cnc(C[NH3+])nc2)[C@@H]1c1cccs1 ZINC000638121688 451291328 /nfs/dbraw/zinc/29/13/28/451291328.db2.gz GOWQAFIMHSUDAD-BLLLJJGKSA-N 2 1 345.472 1.810 20 0 EDADMP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638124324 451293283 /nfs/dbraw/zinc/29/32/83/451293283.db2.gz SNRKICSWZJCVIX-BMGDILEWSA-N 2 1 329.444 1.440 20 0 EDADMP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638124324 451293288 /nfs/dbraw/zinc/29/32/88/451293288.db2.gz SNRKICSWZJCVIX-BMGDILEWSA-N 2 1 329.444 1.440 20 0 EDADMP CN1CC[N@@H+](CCCNC(=O)CCC2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000638137791 451312457 /nfs/dbraw/zinc/31/24/57/451312457.db2.gz NVSNNEJBNLOSII-LJQANCHMSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@@H+]1CCN(CCCNC(=O)CCC2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000638137791 451312463 /nfs/dbraw/zinc/31/24/63/451312463.db2.gz NVSNNEJBNLOSII-LJQANCHMSA-N 2 1 344.503 1.481 20 0 EDADMP C[N@H+]1CCN(CCCNC(=O)CCC2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000638137791 451312466 /nfs/dbraw/zinc/31/24/66/451312466.db2.gz NVSNNEJBNLOSII-LJQANCHMSA-N 2 1 344.503 1.481 20 0 EDADMP CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638144722 451317821 /nfs/dbraw/zinc/31/78/21/451317821.db2.gz DULQYXMZHFYYPD-AZUAARDMSA-N 2 1 345.487 1.641 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000638155551 451326140 /nfs/dbraw/zinc/32/61/40/451326140.db2.gz LGRYUVMAKBTQCL-SFHVURJKSA-N 2 1 330.476 1.950 20 0 EDADMP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000638214956 451358289 /nfs/dbraw/zinc/35/82/89/451358289.db2.gz HSNVFKXVUYUSCB-ZWKOTPCHSA-N 2 1 340.427 1.133 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000636629660 451367397 /nfs/dbraw/zinc/36/73/97/451367397.db2.gz UVHNHSAHGAYBJN-JQHSSLGASA-N 2 1 346.475 1.188 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000636629660 451367400 /nfs/dbraw/zinc/36/74/00/451367400.db2.gz UVHNHSAHGAYBJN-JQHSSLGASA-N 2 1 346.475 1.188 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000636629660 451367404 /nfs/dbraw/zinc/36/74/04/451367404.db2.gz UVHNHSAHGAYBJN-JQHSSLGASA-N 2 1 346.475 1.188 20 0 EDADMP Cc1ccc(C[NH+]2CCSCC2)cc1NCc1c[nH+]c(N)nc1N ZINC000638242913 451377871 /nfs/dbraw/zinc/37/78/71/451377871.db2.gz VGCLRJQAQXKVJZ-UHFFFAOYSA-N 2 1 344.488 1.771 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638254875 451383244 /nfs/dbraw/zinc/38/32/44/451383244.db2.gz JALKKFVLBINKPF-SCTDSRPQSA-N 2 1 331.460 1.379 20 0 EDADMP C[C@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC000635948351 451388720 /nfs/dbraw/zinc/38/87/20/451388720.db2.gz LZCKJSPLGNWASV-YJBOKZPZSA-N 2 1 335.492 1.715 20 0 EDADMP C[C@H]1COCC[NH+]1C1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635948351 451388724 /nfs/dbraw/zinc/38/87/24/451388724.db2.gz LZCKJSPLGNWASV-YJBOKZPZSA-N 2 1 335.492 1.715 20 0 EDADMP C[C@H]1COCC[NH+]1C1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635948351 451388727 /nfs/dbraw/zinc/38/87/27/451388727.db2.gz LZCKJSPLGNWASV-YJBOKZPZSA-N 2 1 335.492 1.715 20 0 EDADMP O=C(CCC1C[NH2+]C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000638302881 451417263 /nfs/dbraw/zinc/41/72/63/451417263.db2.gz LITMJCGAGKKTOC-SFHVURJKSA-N 2 1 331.460 1.393 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000638307352 451421545 /nfs/dbraw/zinc/42/15/45/451421545.db2.gz DBHZDIBQMKOJGE-JCHJZTRSSA-N 2 1 345.487 1.862 20 0 EDADMP C[C@@H](NC(=O)c1cnc(C[NH3+])nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638309595 451422489 /nfs/dbraw/zinc/42/24/89/451422489.db2.gz SEAJZFDLTXYYFM-ZBFHGGJFSA-N 2 1 339.443 1.576 20 0 EDADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000638313319 451425566 /nfs/dbraw/zinc/42/55/66/451425566.db2.gz TZYMFCFGIQQLHR-DZJNRPSUSA-N 2 1 331.460 1.472 20 0 EDADMP CC(C)(C)NS(=O)(=O)C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000638321604 451432118 /nfs/dbraw/zinc/43/21/18/451432118.db2.gz MTFNAAUNBUZHBO-UHFFFAOYSA-N 2 1 329.510 1.453 20 0 EDADMP CCn1ncc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1C ZINC000630880958 451459346 /nfs/dbraw/zinc/45/93/46/451459346.db2.gz XECOGJHDMLLWAE-MRXNPFEDSA-N 2 1 335.496 1.700 20 0 EDADMP C[C@H]1CC2(CN1C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)CC[NH2+]CC2 ZINC000638364883 451461973 /nfs/dbraw/zinc/46/19/73/451461973.db2.gz CUCGCBOYDTXFDX-WMZOPIPTSA-N 2 1 344.503 1.436 20 0 EDADMP C[C@H]1CC2(CN1C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1)CC[NH2+]CC2 ZINC000638364883 451461977 /nfs/dbraw/zinc/46/19/77/451461977.db2.gz CUCGCBOYDTXFDX-WMZOPIPTSA-N 2 1 344.503 1.436 20 0 EDADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCNC(=O)C3)cc2)CC1 ZINC000638368291 451466391 /nfs/dbraw/zinc/46/63/91/451466391.db2.gz VEVIIWYZQYTYMT-SFHVURJKSA-N 2 1 330.476 1.192 20 0 EDADMP CC[C@@H](C)NC(=O)CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634700218 451474241 /nfs/dbraw/zinc/47/42/41/451474241.db2.gz VRKIICYWGDCRSG-VQIMIIECSA-N 2 1 333.476 1.518 20 0 EDADMP CC[C@@H](C)NC(=O)CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700218 451474249 /nfs/dbraw/zinc/47/42/49/451474249.db2.gz VRKIICYWGDCRSG-VQIMIIECSA-N 2 1 333.476 1.518 20 0 EDADMP O[C@]1(C[NH2+]CCOC[C@@H]2CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704707 451480369 /nfs/dbraw/zinc/48/03/69/451480369.db2.gz OJJCTLLACSYSNK-MOPGFXCFSA-N 2 1 334.460 1.266 20 0 EDADMP O[C@]1(C[NH2+]CCOC[C@@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704707 451480376 /nfs/dbraw/zinc/48/03/76/451480376.db2.gz OJJCTLLACSYSNK-MOPGFXCFSA-N 2 1 334.460 1.266 20 0 EDADMP O[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)COCC1CC1 ZINC000634719654 451499723 /nfs/dbraw/zinc/49/97/23/451499723.db2.gz WQMLFHUSYRCLOS-OALUTQOASA-N 2 1 334.460 1.001 20 0 EDADMP O[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)COCC1CC1 ZINC000634719654 451499726 /nfs/dbraw/zinc/49/97/26/451499726.db2.gz WQMLFHUSYRCLOS-OALUTQOASA-N 2 1 334.460 1.001 20 0 EDADMP OC[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634719923 451499771 /nfs/dbraw/zinc/49/97/71/451499771.db2.gz BPLYPXXLMIVQAZ-LEWJYISDSA-N 2 1 340.467 1.989 20 0 EDADMP OC[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634719923 451499776 /nfs/dbraw/zinc/49/97/76/451499776.db2.gz BPLYPXXLMIVQAZ-LEWJYISDSA-N 2 1 340.467 1.989 20 0 EDADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638419337 451504154 /nfs/dbraw/zinc/50/41/54/451504154.db2.gz HADBNYWEABTUDY-MJGOQNOKSA-N 2 1 346.519 1.682 20 0 EDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000631044584 451550019 /nfs/dbraw/zinc/55/00/19/451550019.db2.gz MHXFITGWRRQPLO-LJQANCHMSA-N 2 1 347.503 1.829 20 0 EDADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638506577 451550626 /nfs/dbraw/zinc/55/06/26/451550626.db2.gz WXJLQMXQKSJZQO-ZWKOTPCHSA-N 2 1 343.471 1.678 20 0 EDADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638506577 451550631 /nfs/dbraw/zinc/55/06/31/451550631.db2.gz WXJLQMXQKSJZQO-ZWKOTPCHSA-N 2 1 343.471 1.678 20 0 EDADMP CC(C)[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638512997 451552713 /nfs/dbraw/zinc/55/27/13/451552713.db2.gz KKNZLNBFPOCWDF-ZWKOTPCHSA-N 2 1 331.460 1.344 20 0 EDADMP CC(C)(C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)Oc1ccccc1 ZINC000638599925 451598322 /nfs/dbraw/zinc/59/83/22/451598322.db2.gz VAJPYAUQXHJQQU-SFHVURJKSA-N 2 1 347.503 1.840 20 0 EDADMP C[NH2+][C@H](C(=O)NCCOCCC[NH3+])c1cccc(Cl)c1Cl ZINC000638662437 451638516 /nfs/dbraw/zinc/63/85/16/451638516.db2.gz AWPNUDKXDGFOOX-ZDUSSCGKSA-N 2 1 334.247 1.736 20 0 EDADMP [NH3+]CCCOCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638664121 451639839 /nfs/dbraw/zinc/63/98/39/451639839.db2.gz QSJOZMBRUWMUGG-RBUKOAKNSA-N 2 1 345.487 1.626 20 0 EDADMP CC[C@@H]([NH3+])c1cn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000640952890 451702342 /nfs/dbraw/zinc/70/23/42/451702342.db2.gz GQTKAIHLJQYVJJ-MRXNPFEDSA-N 2 1 342.447 1.032 20 0 EDADMP COc1ccc([C@@H](CCO)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638836787 451706636 /nfs/dbraw/zinc/70/66/36/451706636.db2.gz UGXLNPASAGWXCX-GOSISDBHSA-N 2 1 336.476 1.944 20 0 EDADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccco1 ZINC000637139398 451739399 /nfs/dbraw/zinc/73/93/99/451739399.db2.gz JYQAULOTGBSQBQ-KFWWJZLASA-N 2 1 338.452 1.075 20 0 EDADMP C[N@@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)C[C@H]1Cc1ccccc1 ZINC000641041750 451739713 /nfs/dbraw/zinc/73/97/13/451739713.db2.gz DBEZJXMHNLFTFH-ZWKOTPCHSA-N 2 1 330.476 1.697 20 0 EDADMP C[N@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)C[C@H]1Cc1ccccc1 ZINC000641041750 451739716 /nfs/dbraw/zinc/73/97/16/451739716.db2.gz DBEZJXMHNLFTFH-ZWKOTPCHSA-N 2 1 330.476 1.697 20 0 EDADMP CO[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1CCOC1 ZINC000638977017 451744216 /nfs/dbraw/zinc/74/42/16/451744216.db2.gz NVSGXLFPEVYVDF-IPMKNSEASA-N 2 1 334.460 1.394 20 0 EDADMP [NH3+][C@H]1CC[C@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000639043664 451756613 /nfs/dbraw/zinc/75/66/13/451756613.db2.gz YOMLWOGQBOFVTL-BZSNNMDCSA-N 2 1 331.460 1.664 20 0 EDADMP [NH3+][C@H]1CC[C@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000639043664 451756614 /nfs/dbraw/zinc/75/66/14/451756614.db2.gz YOMLWOGQBOFVTL-BZSNNMDCSA-N 2 1 331.460 1.664 20 0 EDADMP CO[C@@]1(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCOC1 ZINC000639074876 451762159 /nfs/dbraw/zinc/76/21/59/451762159.db2.gz DBJZFLLPIDNNCY-RTBURBONSA-N 2 1 334.460 1.361 20 0 EDADMP CO[C@@]1(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCOC1 ZINC000639074876 451762161 /nfs/dbraw/zinc/76/21/61/451762161.db2.gz DBJZFLLPIDNNCY-RTBURBONSA-N 2 1 334.460 1.361 20 0 EDADMP CO[C@@]1(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000639074876 451762165 /nfs/dbraw/zinc/76/21/65/451762165.db2.gz DBJZFLLPIDNNCY-RTBURBONSA-N 2 1 334.460 1.361 20 0 EDADMP CO[C@@]1(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000639074876 451762168 /nfs/dbraw/zinc/76/21/68/451762168.db2.gz DBJZFLLPIDNNCY-RTBURBONSA-N 2 1 334.460 1.361 20 0 EDADMP [NH3+]CCCCc1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641228767 451790701 /nfs/dbraw/zinc/79/07/01/451790701.db2.gz DAOWWFAEIZANJN-SFHVURJKSA-N 2 1 329.448 1.197 20 0 EDADMP O[C@@]1(Cn2cc(C[NH2+]C3CC3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641229656 451791237 /nfs/dbraw/zinc/79/12/37/451791237.db2.gz LIVRHSIUHQDHKZ-SFHVURJKSA-N 2 1 327.432 1.167 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000642006589 451804603 /nfs/dbraw/zinc/80/46/03/451804603.db2.gz QQYNYSNSQVFRAZ-QZTJIDSGSA-N 2 1 346.475 1.281 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCN(CC(F)F)CC1 ZINC000644532728 451845060 /nfs/dbraw/zinc/84/50/60/451845060.db2.gz LBWZRMBOLDYTSC-KRWDZBQOSA-N 2 1 341.446 1.798 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCN(CC(F)F)CC1 ZINC000644532728 451845068 /nfs/dbraw/zinc/84/50/68/451845068.db2.gz LBWZRMBOLDYTSC-KRWDZBQOSA-N 2 1 341.446 1.798 20 0 EDADMP CC[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000649102083 451846561 /nfs/dbraw/zinc/84/65/61/451846561.db2.gz UECMFBKDSKYBTJ-MOPGFXCFSA-N 2 1 344.503 1.086 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000644569918 451866955 /nfs/dbraw/zinc/86/69/55/451866955.db2.gz OOZNOHUXUCONBV-PXNSSMCTSA-N 2 1 347.503 1.495 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000644569917 451867089 /nfs/dbraw/zinc/86/70/89/451867089.db2.gz OOZNOHUXUCONBV-FXAWDEMLSA-N 2 1 347.503 1.495 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C[C@H](C)[N@@H+]1CCO ZINC000637471526 451888893 /nfs/dbraw/zinc/88/88/93/451888893.db2.gz VEJJJJDKYPUIMG-UXLLHSPISA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C[C@H](C)[NH+]1CCO ZINC000637471526 451888903 /nfs/dbraw/zinc/88/89/03/451888903.db2.gz VEJJJJDKYPUIMG-UXLLHSPISA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C[C@H](C)[NH+]1CCO ZINC000637471526 451888909 /nfs/dbraw/zinc/88/89/09/451888909.db2.gz VEJJJJDKYPUIMG-UXLLHSPISA-N 2 1 338.496 1.100 20 0 EDADMP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000649279449 451950652 /nfs/dbraw/zinc/95/06/52/451950652.db2.gz QQYDBRLHZALERC-KCPJHIHWSA-N 2 1 325.840 1.436 20 0 EDADMP O=C([C@@H]1C[NH2+]CCOC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000649283592 451955542 /nfs/dbraw/zinc/95/55/42/451955542.db2.gz OHNRWNZWBBOKNL-MRXNPFEDSA-N 2 1 335.423 1.096 20 0 EDADMP O=C([C@@H]1C[NH2+]CCOC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000649283592 451955543 /nfs/dbraw/zinc/95/55/43/451955543.db2.gz OHNRWNZWBBOKNL-MRXNPFEDSA-N 2 1 335.423 1.096 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(N)CC[N@@H+](C)C1)c1cccc(OC)c1 ZINC000649282869 451956497 /nfs/dbraw/zinc/95/64/97/451956497.db2.gz PFWZWTLCFDHRGL-IEBWSBKVSA-N 2 1 348.491 1.227 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)C[C@H](C)O1 ZINC000649283895 451958092 /nfs/dbraw/zinc/95/80/92/451958092.db2.gz RJXXCYVEJNNUFD-XQQFMLRXSA-N 2 1 333.423 1.235 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)C[C@H](C)O1 ZINC000649283895 451958094 /nfs/dbraw/zinc/95/80/94/451958094.db2.gz RJXXCYVEJNNUFD-XQQFMLRXSA-N 2 1 333.423 1.235 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2C[NH2+]CCOC2)cc1 ZINC000649288493 451961918 /nfs/dbraw/zinc/96/19/18/451961918.db2.gz VHVSVYUVEHWHRA-APWZRJJASA-N 2 1 345.487 1.913 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)CC[NH+](C)C ZINC000637601670 451967115 /nfs/dbraw/zinc/96/71/15/451967115.db2.gz BOBFCSLLQVVMCK-SJLPKXTDSA-N 2 1 332.492 1.958 20 0 EDADMP CC[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000649292898 451969167 /nfs/dbraw/zinc/96/91/67/451969167.db2.gz KUNUDXWFPYBWEF-QZTJIDSGSA-N 2 1 331.460 1.176 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)[N@@H+]1CCc2sccc2C1 ZINC000649299332 451976550 /nfs/dbraw/zinc/97/65/50/451976550.db2.gz LBCQMAFAAOYYRK-AAEUAGOBSA-N 2 1 343.443 1.856 20 0 EDADMP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)[N@H+]1CCc2sccc2C1 ZINC000649299332 451976556 /nfs/dbraw/zinc/97/65/56/451976556.db2.gz LBCQMAFAAOYYRK-AAEUAGOBSA-N 2 1 343.443 1.856 20 0 EDADMP CCN(C(=O)[C@@H]1C[NH2+]CCOC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000649305793 451981785 /nfs/dbraw/zinc/98/17/85/451981785.db2.gz BJVAPPWZALMPMK-QXAKKESOSA-N 2 1 345.487 1.906 20 0 EDADMP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cnn1C ZINC000649306914 451982972 /nfs/dbraw/zinc/98/29/72/451982972.db2.gz ZBQAYFQYVZCUPM-NONVJHHQSA-N 2 1 347.507 1.268 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)CC1 ZINC000649308466 451984900 /nfs/dbraw/zinc/98/49/00/451984900.db2.gz IHHHXXYTYVGABU-UHFFFAOYSA-N 2 1 344.459 1.532 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000649307548 451985063 /nfs/dbraw/zinc/98/50/63/451985063.db2.gz ZSBZEYORXAOGNU-QLFBSQMISA-N 2 1 348.495 1.299 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(N)CC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000649329711 452009416 /nfs/dbraw/zinc/00/94/16/452009416.db2.gz CSOGZBPMYTWALB-IMFGXOCKSA-N 2 1 344.503 1.531 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(N)CC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000649329711 452009419 /nfs/dbraw/zinc/00/94/19/452009419.db2.gz CSOGZBPMYTWALB-IMFGXOCKSA-N 2 1 344.503 1.531 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(N)CC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000649329711 452009422 /nfs/dbraw/zinc/00/94/22/452009422.db2.gz CSOGZBPMYTWALB-IMFGXOCKSA-N 2 1 344.503 1.531 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2([NH3+])CCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000649329711 452009425 /nfs/dbraw/zinc/00/94/25/452009425.db2.gz CSOGZBPMYTWALB-IMFGXOCKSA-N 2 1 344.503 1.531 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2([NH3+])CCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000649329711 452009429 /nfs/dbraw/zinc/00/94/29/452009429.db2.gz CSOGZBPMYTWALB-IMFGXOCKSA-N 2 1 344.503 1.531 20 0 EDADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682038 452021321 /nfs/dbraw/zinc/02/13/21/452021321.db2.gz ITISIRWBQRNTMP-MRXNPFEDSA-N 2 1 334.464 1.525 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000649342654 452022510 /nfs/dbraw/zinc/02/25/10/452022510.db2.gz HDOMSPGECIZNNJ-CVEARBPZSA-N 2 1 337.414 1.964 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2cccnc21 ZINC000644856030 452030295 /nfs/dbraw/zinc/03/02/95/452030295.db2.gz HEQCFMKZCMWKOD-QZTJIDSGSA-N 2 1 344.503 1.986 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000649348316 452031529 /nfs/dbraw/zinc/03/15/29/452031529.db2.gz HUEZCVQXMVNPCP-ZRSRNVLSSA-N 2 1 343.471 1.248 20 0 EDADMP CC[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000649348316 452031538 /nfs/dbraw/zinc/03/15/38/452031538.db2.gz HUEZCVQXMVNPCP-ZRSRNVLSSA-N 2 1 343.471 1.248 20 0 EDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000649351645 452035002 /nfs/dbraw/zinc/03/50/02/452035002.db2.gz FRDRVVHFFGEOFG-JKSUJKDBSA-N 3 1 343.475 1.408 20 0 EDADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000649351308 452035835 /nfs/dbraw/zinc/03/58/35/452035835.db2.gz KCLCFAKUBPCLAF-FUHWJXTLSA-N 2 1 330.476 1.313 20 0 EDADMP COC[C@H](C)[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000643230281 452084971 /nfs/dbraw/zinc/08/49/71/452084971.db2.gz GLUHXBIIRYERSJ-YQQAZPJKSA-N 2 1 325.497 1.532 20 0 EDADMP COC[C@H](C)[C@H](C)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643230281 452084974 /nfs/dbraw/zinc/08/49/74/452084974.db2.gz GLUHXBIIRYERSJ-YQQAZPJKSA-N 2 1 325.497 1.532 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639763452 452104084 /nfs/dbraw/zinc/10/40/84/452104084.db2.gz QSMIDBWCGGUKBH-PMACEKPBSA-N 2 1 347.503 1.012 20 0 EDADMP C[NH2+]C[C@H]1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000637836207 452108215 /nfs/dbraw/zinc/10/82/15/452108215.db2.gz WNAZGGJYQFLZDV-GOSISDBHSA-N 3 1 344.503 1.438 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000637846852 452113083 /nfs/dbraw/zinc/11/30/83/452113083.db2.gz YPSUHGXUUBIEIS-QZTJIDSGSA-N 2 1 332.492 1.470 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000637846852 452113087 /nfs/dbraw/zinc/11/30/87/452113087.db2.gz YPSUHGXUUBIEIS-QZTJIDSGSA-N 2 1 332.492 1.470 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](C3CC3)C3CCOCC3)cn2)CC1 ZINC000651927961 452174771 /nfs/dbraw/zinc/17/47/71/452174771.db2.gz PLAARRHETGMXHW-SFHVURJKSA-N 2 1 345.491 1.523 20 0 EDADMP O=C([C@H]1CCC[N@@H+](Cc2nccc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000647486488 452231055 /nfs/dbraw/zinc/23/10/55/452231055.db2.gz ZRSDPRYVRBKUDN-KRWDZBQOSA-N 2 1 338.455 1.879 20 0 EDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1OCc1ccccn1 ZINC000647492936 452236497 /nfs/dbraw/zinc/23/64/97/452236497.db2.gz JNBQHQMJQFOSIZ-UHFFFAOYSA-N 2 1 340.471 1.998 20 0 EDADMP C[NH+](C)CCn1nccc1NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654104754 452248036 /nfs/dbraw/zinc/24/80/36/452248036.db2.gz VLAKOVXJRRPGIY-GJZGRUSLSA-N 2 1 334.468 1.583 20 0 EDADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)ccc21 ZINC000654106261 452250044 /nfs/dbraw/zinc/25/00/44/452250044.db2.gz CCMHSVCSQDFHHU-JZXOWHBKSA-N 2 1 344.459 1.518 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1OC ZINC000641803789 452279658 /nfs/dbraw/zinc/27/96/58/452279658.db2.gz HNYDRZSTJDCGBU-JCURWCKSSA-N 2 1 349.475 1.466 20 0 EDADMP CC1(C)[C@H]([NH2+]CC(=O)N2CCN(Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000641803244 452280049 /nfs/dbraw/zinc/28/00/49/452280049.db2.gz RQMDEDRJBJUWIU-DLBZAZTESA-N 2 1 330.476 1.046 20 0 EDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000641803577 452280600 /nfs/dbraw/zinc/28/06/00/452280600.db2.gz TWSPLLXHHVFNFO-GJZGRUSLSA-N 2 1 336.505 1.108 20 0 EDADMP C[C@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487262 452286806 /nfs/dbraw/zinc/28/68/06/452286806.db2.gz CALAULDFKXPPOV-PNBKFKSVSA-N 2 1 325.497 1.898 20 0 EDADMP C[C@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487262 452286817 /nfs/dbraw/zinc/28/68/17/452286817.db2.gz CALAULDFKXPPOV-PNBKFKSVSA-N 2 1 325.497 1.898 20 0 EDADMP [NH3+]C/C=C/CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000641867925 452332820 /nfs/dbraw/zinc/33/28/20/452332820.db2.gz XGSLFCANCCPQER-PXPVJAHISA-N 2 1 328.460 1.809 20 0 EDADMP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3ncns3)CC2)CC1 ZINC000643611591 452338720 /nfs/dbraw/zinc/33/87/20/452338720.db2.gz ZIEBKCYGAMILKE-UHFFFAOYSA-N 2 1 338.525 1.076 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@H](CC)CO1 ZINC000665763972 452347347 /nfs/dbraw/zinc/34/73/47/452347347.db2.gz QLIPEZHBWSAALJ-GVDBMIGSSA-N 2 1 342.528 1.857 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@H](CC)CO1 ZINC000665763972 452347353 /nfs/dbraw/zinc/34/73/53/452347353.db2.gz QLIPEZHBWSAALJ-GVDBMIGSSA-N 2 1 342.528 1.857 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC2(CCC2)OC[C@H]1C ZINC000665763696 452349148 /nfs/dbraw/zinc/34/91/48/452349148.db2.gz JGOGSNLMZJIFIE-JKSUJKDBSA-N 2 1 340.512 1.611 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC2(CCC2)OC[C@H]1C ZINC000665763696 452349159 /nfs/dbraw/zinc/34/91/59/452349159.db2.gz JGOGSNLMZJIFIE-JKSUJKDBSA-N 2 1 340.512 1.611 20 0 EDADMP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000640016932 452356687 /nfs/dbraw/zinc/35/66/87/452356687.db2.gz HEYUMQXMQIDVFW-HNNXBMFYSA-N 2 1 331.526 1.464 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638069496 452374915 /nfs/dbraw/zinc/37/49/15/452374915.db2.gz KRGJWBNWGVTUME-FUHWJXTLSA-N 2 1 332.492 1.436 20 0 EDADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638069496 452374925 /nfs/dbraw/zinc/37/49/25/452374925.db2.gz KRGJWBNWGVTUME-FUHWJXTLSA-N 2 1 332.492 1.436 20 0 EDADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638069496 452374935 /nfs/dbraw/zinc/37/49/35/452374935.db2.gz KRGJWBNWGVTUME-FUHWJXTLSA-N 2 1 332.492 1.436 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000659557630 452413171 /nfs/dbraw/zinc/41/31/71/452413171.db2.gz TZVIXGLIZQFESA-CMPFZWEDSA-N 2 1 334.508 1.924 20 0 EDADMP C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)C2)C1 ZINC000659575801 452430220 /nfs/dbraw/zinc/43/02/20/452430220.db2.gz BACXRLVWEYTSMQ-QWFCFKBJSA-N 2 1 342.487 1.869 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659609600 452465640 /nfs/dbraw/zinc/46/56/40/452465640.db2.gz KIIVNPOMOLLUHM-JFIYKMOQSA-N 2 1 348.491 1.025 20 0 EDADMP C[NH+]1CCC2(CC1)CN(C(=O)NCc1c[nH+]c3n1CCCC3)CCO2 ZINC000645497682 452467237 /nfs/dbraw/zinc/46/72/37/452467237.db2.gz IKWNFQLLUFMDTN-UHFFFAOYSA-N 2 1 347.463 1.226 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000652290277 452475591 /nfs/dbraw/zinc/47/55/91/452475591.db2.gz WPCPTRMBQKLKTO-UHFFFAOYSA-N 2 1 348.491 1.658 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000652290277 452475599 /nfs/dbraw/zinc/47/55/99/452475599.db2.gz WPCPTRMBQKLKTO-UHFFFAOYSA-N 2 1 348.491 1.658 20 0 EDADMP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000652292033 452476580 /nfs/dbraw/zinc/47/65/80/452476580.db2.gz UUGPTOYUZXNWHU-SFHVURJKSA-N 2 1 339.443 1.657 20 0 EDADMP O=C(NCCC1CC[NH2+]CC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000652313838 452488364 /nfs/dbraw/zinc/48/83/64/452488364.db2.gz KWTAVXMHBGNCPQ-KRWDZBQOSA-N 2 1 338.496 1.272 20 0 EDADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347266 452522404 /nfs/dbraw/zinc/52/24/04/452522404.db2.gz XFIZOLKFJLSLHY-QAETUUGQSA-N 2 1 325.497 1.900 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1ccc(F)cc1 ZINC000655706251 452523710 /nfs/dbraw/zinc/52/37/10/452523710.db2.gz KGGDQXNCPONJGG-DLBZAZTESA-N 2 1 338.423 1.408 20 0 EDADMP CCCCOCCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347661 452523803 /nfs/dbraw/zinc/52/38/03/452523803.db2.gz IDTBGKZBIQWLHV-ULQDDVLXSA-N 2 1 341.496 1.138 20 0 EDADMP CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)n1 ZINC000652348864 452525577 /nfs/dbraw/zinc/52/55/77/452525577.db2.gz UHNHATUTGCIMGO-CBBWQLFWSA-N 2 1 338.452 1.885 20 0 EDADMP CCO[C@H](C)c1noc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)n1 ZINC000652348864 452525582 /nfs/dbraw/zinc/52/55/82/452525582.db2.gz UHNHATUTGCIMGO-CBBWQLFWSA-N 2 1 338.452 1.885 20 0 EDADMP COc1ccccc1N1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000652352151 452529272 /nfs/dbraw/zinc/52/92/72/452529272.db2.gz LWYQHARPZAYNIM-QOKNQOGYSA-N 2 1 329.444 1.861 20 0 EDADMP COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652360655 452542269 /nfs/dbraw/zinc/54/22/69/452542269.db2.gz NRAFUWHSZIZVFH-OLMNPRSZSA-N 2 1 347.459 1.995 20 0 EDADMP COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652360655 452542275 /nfs/dbraw/zinc/54/22/75/452542275.db2.gz NRAFUWHSZIZVFH-OLMNPRSZSA-N 2 1 347.459 1.995 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363569 452544343 /nfs/dbraw/zinc/54/43/43/452544343.db2.gz IFBPJFGDEJVHNR-DEPCRRQNSA-N 3 1 347.503 1.278 20 0 EDADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c(C)c1 ZINC000647834950 452569312 /nfs/dbraw/zinc/56/93/12/452569312.db2.gz GWLCGYCWXSRFTE-KRWDZBQOSA-N 2 1 332.492 1.776 20 0 EDADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c(C)c1 ZINC000647834950 452569326 /nfs/dbraw/zinc/56/93/26/452569326.db2.gz GWLCGYCWXSRFTE-KRWDZBQOSA-N 2 1 332.492 1.776 20 0 EDADMP CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647835313 452569351 /nfs/dbraw/zinc/56/93/51/452569351.db2.gz UDPAIQPHIBHCBD-OAHLLOKOSA-N 2 1 334.464 1.249 20 0 EDADMP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647835313 452569362 /nfs/dbraw/zinc/56/93/62/452569362.db2.gz UDPAIQPHIBHCBD-OAHLLOKOSA-N 2 1 334.464 1.249 20 0 EDADMP CCC[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647834991 452569630 /nfs/dbraw/zinc/56/96/30/452569630.db2.gz IJBKNBBOACMAJA-IEBWSBKVSA-N 2 1 346.519 1.870 20 0 EDADMP CCC[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647834991 452569640 /nfs/dbraw/zinc/56/96/40/452569640.db2.gz IJBKNBBOACMAJA-IEBWSBKVSA-N 2 1 346.519 1.870 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000661779890 452574049 /nfs/dbraw/zinc/57/40/49/452574049.db2.gz OFTIUNKUUFHPSV-RYQLBKOJSA-N 2 1 347.507 1.274 20 0 EDADMP CC(C)CNC(=O)c1cccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647835601 452574349 /nfs/dbraw/zinc/57/43/49/452574349.db2.gz DTJGKXKAXRAHAM-UHFFFAOYSA-N 2 1 332.492 1.409 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000661846047 452627365 /nfs/dbraw/zinc/62/73/65/452627365.db2.gz WVJPQTKTJKGPLA-CVEARBPZSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000655927284 452694855 /nfs/dbraw/zinc/69/48/55/452694855.db2.gz HAMPLORDNZCHDG-XBFCOCLRSA-N 2 1 344.381 1.838 20 0 EDADMP CCN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000664006935 452708768 /nfs/dbraw/zinc/70/87/68/452708768.db2.gz LZENSPILVQLKQD-MRXNPFEDSA-N 2 1 338.496 1.367 20 0 EDADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC000661953138 452714761 /nfs/dbraw/zinc/71/47/61/452714761.db2.gz MGJCHECHZGVHNL-IAGOWNOFSA-N 2 1 340.512 1.613 20 0 EDADMP O=c1n2ccccc2nn1CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978591 452722605 /nfs/dbraw/zinc/72/26/05/452722605.db2.gz VFQSNEZHADQDSG-JKSUJKDBSA-N 2 1 329.448 1.208 20 0 EDADMP c1ccc(-n2nnnc2CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977636 452724266 /nfs/dbraw/zinc/72/42/66/452724266.db2.gz FNYWVXKSJIXVSR-SJORKVTESA-N 2 1 340.475 1.916 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654649475 452741437 /nfs/dbraw/zinc/74/14/37/452741437.db2.gz GCGUBWUZTCJUBB-WCXIOVBPSA-N 2 1 340.512 1.656 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000654649475 452741453 /nfs/dbraw/zinc/74/14/53/452741453.db2.gz GCGUBWUZTCJUBB-WCXIOVBPSA-N 2 1 340.512 1.656 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664076816 452771939 /nfs/dbraw/zinc/77/19/39/452771939.db2.gz KZEPPGHDFFCEMC-IRXDYDNUSA-N 2 1 341.544 1.432 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000664076816 452771943 /nfs/dbraw/zinc/77/19/43/452771943.db2.gz KZEPPGHDFFCEMC-IRXDYDNUSA-N 3 1 341.544 1.432 20 0 EDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000664076816 452771946 /nfs/dbraw/zinc/77/19/46/452771946.db2.gz KZEPPGHDFFCEMC-IRXDYDNUSA-N 3 1 341.544 1.432 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664076816 452771952 /nfs/dbraw/zinc/77/19/52/452771952.db2.gz KZEPPGHDFFCEMC-IRXDYDNUSA-N 3 1 341.544 1.432 20 0 EDADMP CC[NH+]1CCCC[C@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664076816 452771956 /nfs/dbraw/zinc/77/19/56/452771956.db2.gz KZEPPGHDFFCEMC-IRXDYDNUSA-N 3 1 341.544 1.432 20 0 EDADMP C[C@H]1C[NH+](CCN2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)O1 ZINC000659939225 452834596 /nfs/dbraw/zinc/83/45/96/452834596.db2.gz OQYFXDRAVKREMM-IRXDYDNUSA-N 2 1 325.497 1.140 20 0 EDADMP [NH3+]Cc1nc(-c2ccc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)cc2)n[nH]1 ZINC000648125241 452840720 /nfs/dbraw/zinc/84/07/20/452840720.db2.gz LDFIDKCYTJSRNP-LLVKDONJSA-N 2 1 336.346 1.114 20 0 EDADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648130069 452844665 /nfs/dbraw/zinc/84/46/65/452844665.db2.gz GPYGYHSQSRISKI-KGLIPLIRSA-N 2 1 339.386 1.413 20 0 EDADMP CCc1noc(C)c1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000666445737 452877017 /nfs/dbraw/zinc/87/70/17/452877017.db2.gz GUPMFIUIZLCWGL-LBPRGKRZSA-N 2 1 325.457 1.939 20 0 EDADMP CCc1noc(C)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000666445737 452877027 /nfs/dbraw/zinc/87/70/27/452877027.db2.gz GUPMFIUIZLCWGL-LBPRGKRZSA-N 2 1 325.457 1.939 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)nc(C)[nH+]1 ZINC000654762764 452892202 /nfs/dbraw/zinc/89/22/02/452892202.db2.gz RJJSKXJZQNZWNC-BBRMVZONSA-N 2 1 331.464 1.520 20 0 EDADMP Cc1cc(N2CCC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc(C)[nH+]1 ZINC000654762764 452892209 /nfs/dbraw/zinc/89/22/09/452892209.db2.gz RJJSKXJZQNZWNC-BBRMVZONSA-N 2 1 331.464 1.520 20 0 EDADMP COc1cc2[nH+]ccc(NCC[N@H+](C)CCC[NH+](C)C)c2cc1OC ZINC000664244013 452921832 /nfs/dbraw/zinc/92/18/32/452921832.db2.gz DHUMIGAPPMWTPV-UHFFFAOYSA-N 3 1 346.475 1.969 20 0 EDADMP COc1cc2[nH+]ccc(NCC[N@@H+](C)CCC[NH+](C)C)c2cc1OC ZINC000664244013 452921836 /nfs/dbraw/zinc/92/18/36/452921836.db2.gz DHUMIGAPPMWTPV-UHFFFAOYSA-N 3 1 346.475 1.969 20 0 EDADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4c(c3)C[NH2+]C4)C2)CC1 ZINC000645978162 452966178 /nfs/dbraw/zinc/96/61/78/452966178.db2.gz VTQWLEATRMKBNT-KRWDZBQOSA-N 2 1 328.460 1.188 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4c(c3)C[NH2+]C4)C2)CC1 ZINC000645978162 452966186 /nfs/dbraw/zinc/96/61/86/452966186.db2.gz VTQWLEATRMKBNT-KRWDZBQOSA-N 2 1 328.460 1.188 20 0 EDADMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662253600 452980131 /nfs/dbraw/zinc/98/01/31/452980131.db2.gz VACRTSZAIAFGTK-MAUKXSAKSA-N 2 1 345.487 1.695 20 0 EDADMP COc1ccccc1CN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662262628 452995055 /nfs/dbraw/zinc/99/50/55/452995055.db2.gz WTJVDGSOENTNBS-QGZVFWFLSA-N 2 1 331.460 1.334 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000662275318 453001554 /nfs/dbraw/zinc/00/15/54/453001554.db2.gz AGWPQDSFYZTNSK-DOTOQJQBSA-N 2 1 337.489 1.559 20 0 EDADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000662275318 453001556 /nfs/dbraw/zinc/00/15/56/453001556.db2.gz AGWPQDSFYZTNSK-DOTOQJQBSA-N 2 1 337.489 1.559 20 0 EDADMP Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000662293549 453015922 /nfs/dbraw/zinc/01/59/22/453015922.db2.gz LWFGXAIOBRBQOQ-DLBZAZTESA-N 2 1 345.491 1.545 20 0 EDADMP Cn1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)C2=O)n1 ZINC000662293140 453015954 /nfs/dbraw/zinc/01/59/54/453015954.db2.gz JZZUVDWJGRVAKT-IAGOWNOFSA-N 2 1 345.491 1.627 20 0 EDADMP O=C(C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)NCC1CC1 ZINC000662328047 453045867 /nfs/dbraw/zinc/04/58/67/453045867.db2.gz XZEUKASQUYYVEP-UHFFFAOYSA-N 2 1 345.491 1.582 20 0 EDADMP O=C(C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)NCC1CC1 ZINC000662328047 453045872 /nfs/dbraw/zinc/04/58/72/453045872.db2.gz XZEUKASQUYYVEP-UHFFFAOYSA-N 2 1 345.491 1.582 20 0 EDADMP Cc1nc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cs1 ZINC000662338971 453057254 /nfs/dbraw/zinc/05/72/54/453057254.db2.gz XWTKGZDFFCXFRK-AWEZNQCLSA-N 2 1 346.504 1.964 20 0 EDADMP Cc1nc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cs1 ZINC000662338971 453057261 /nfs/dbraw/zinc/05/72/61/453057261.db2.gz XWTKGZDFFCXFRK-AWEZNQCLSA-N 2 1 346.504 1.964 20 0 EDADMP CO[C@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC000660141071 453072168 /nfs/dbraw/zinc/07/21/68/453072168.db2.gz QZLYLSRHFMXROV-KBAYOESNSA-N 2 1 325.497 1.138 20 0 EDADMP C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065479 453076489 /nfs/dbraw/zinc/07/64/89/453076489.db2.gz KPRSBKQYZDCUNP-YTQUADARSA-N 2 1 345.487 1.924 20 0 EDADMP C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065479 453076496 /nfs/dbraw/zinc/07/64/96/453076496.db2.gz KPRSBKQYZDCUNP-YTQUADARSA-N 2 1 345.487 1.924 20 0 EDADMP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000644154767 453086858 /nfs/dbraw/zinc/08/68/58/453086858.db2.gz UZZFSPHUWVDRAE-DLBZAZTESA-N 2 1 331.460 1.392 20 0 EDADMP COc1ccc(NC(=O)CC[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646106089 453109025 /nfs/dbraw/zinc/10/90/25/453109025.db2.gz JGMBGHJRGSQCGV-UHFFFAOYSA-N 2 1 347.459 1.820 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000666754706 453118363 /nfs/dbraw/zinc/11/83/63/453118363.db2.gz RVBTUGFTYHGYHD-ULQDDVLXSA-N 2 1 340.512 1.203 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)CN[C@@H](CO)c1ccc(Br)cc1 ZINC000660237424 453148403 /nfs/dbraw/zinc/14/84/03/453148403.db2.gz CJBCCDQVWUPZHW-GJZGRUSLSA-N 2 1 345.281 1.773 20 0 EDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662450134 453157231 /nfs/dbraw/zinc/15/72/31/453157231.db2.gz HJYDHWAHVAPCAV-OKILXGFUSA-N 2 1 334.468 1.195 20 0 EDADMP [NH3+]C[C@@H](O)CCc1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468336 453204527 /nfs/dbraw/zinc/20/45/27/453204527.db2.gz LGDVIALVGKUMNG-AEFFLSMTSA-N 2 1 329.448 1.052 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000648733793 453220572 /nfs/dbraw/zinc/22/05/72/453220572.db2.gz JCSHMHXYWMEZHW-ZHALLVOQSA-N 2 1 344.503 1.654 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000648733793 453220580 /nfs/dbraw/zinc/22/05/80/453220580.db2.gz JCSHMHXYWMEZHW-ZHALLVOQSA-N 2 1 344.503 1.654 20 0 EDADMP CC(C)C[C@H](C[NH3+])CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000662506709 453223200 /nfs/dbraw/zinc/22/32/00/453223200.db2.gz DNNDQQMCOJHLHM-INIZCTEOSA-N 2 1 327.513 1.814 20 0 EDADMP O=C(NCC[NH2+]C1CC1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000666906482 453228622 /nfs/dbraw/zinc/22/86/22/453228622.db2.gz IBOXPTZNOIATBF-UHFFFAOYSA-N 2 1 332.448 1.435 20 0 EDADMP C[N@@H+](CCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662525558 453244731 /nfs/dbraw/zinc/24/47/31/453244731.db2.gz IGFPXAHBFMZBLR-AWEZNQCLSA-N 2 1 333.480 1.871 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662527610 453249370 /nfs/dbraw/zinc/24/93/70/453249370.db2.gz WTUHCLOYXBLALH-UHFFFAOYSA-N 2 1 330.476 1.293 20 0 EDADMP COC1CC[NH+](C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCC2)CC1 ZINC000648775802 453256316 /nfs/dbraw/zinc/25/63/16/453256316.db2.gz ZAEHTVPMNUTYRC-NVXWUHKLSA-N 2 1 337.508 1.866 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000648782141 453265134 /nfs/dbraw/zinc/26/51/34/453265134.db2.gz UOSZHVXOIAYQMD-CVEARBPZSA-N 2 1 335.496 1.539 20 0 EDADMP C[C@]1(CNC(=O)[C@@H]([NH3+])c2ccccc2Br)CCC[NH2+]C1 ZINC000662554468 453284842 /nfs/dbraw/zinc/28/48/42/453284842.db2.gz VOUYSIARRFIVFC-ZFWWWQNUSA-N 2 1 340.265 1.955 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000666974260 453290348 /nfs/dbraw/zinc/29/03/48/453290348.db2.gz MGGTZUIDZUILBF-DOTOQJQBSA-N 2 1 338.496 1.223 20 0 EDADMP CCN(C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000666978709 453299140 /nfs/dbraw/zinc/29/91/40/453299140.db2.gz BYYHMCVQRCWZDC-IAGOWNOFSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H](c1ccc(NC(=O)[C@@H](N)CC[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000653117897 453307187 /nfs/dbraw/zinc/30/71/87/453307187.db2.gz YSTOGPGGYSPCBA-PBHICJAKSA-N 2 1 334.464 1.297 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000653122692 453313079 /nfs/dbraw/zinc/31/30/79/453313079.db2.gz AYKSPWKTHNQJDZ-AEFFLSMTSA-N 2 1 332.492 1.388 20 0 EDADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000646319574 453315243 /nfs/dbraw/zinc/31/52/43/453315243.db2.gz LMKPDRJOSAHQBB-IAGOWNOFSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000646319574 453315248 /nfs/dbraw/zinc/31/52/48/453315248.db2.gz LMKPDRJOSAHQBB-IAGOWNOFSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000646319574 453315260 /nfs/dbraw/zinc/31/52/60/453315260.db2.gz LMKPDRJOSAHQBB-IAGOWNOFSA-N 2 1 337.508 1.963 20 0 EDADMP CC[NH+](CC)[C@@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000646358659 453344880 /nfs/dbraw/zinc/34/48/80/453344880.db2.gz UUAJRBACUZJRRE-LJQANCHMSA-N 2 1 345.487 1.860 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000653175949 453366290 /nfs/dbraw/zinc/36/62/90/453366290.db2.gz GUGRLKRLPBUVEG-RLFYNMQTSA-N 2 1 325.497 1.613 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000658779736 453385739 /nfs/dbraw/zinc/38/57/39/453385739.db2.gz SXLXPDVAMHDRQI-INIZCTEOSA-N 2 1 332.448 1.287 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653194616 453386275 /nfs/dbraw/zinc/38/62/75/453386275.db2.gz PMGKXRMNAIRACR-OREBXVKISA-N 2 1 337.508 1.708 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653194616 453386281 /nfs/dbraw/zinc/38/62/81/453386281.db2.gz PMGKXRMNAIRACR-OREBXVKISA-N 2 1 337.508 1.708 20 0 EDADMP C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000653201929 453394614 /nfs/dbraw/zinc/39/46/14/453394614.db2.gz BLLFPTDQNRBQBZ-IXDOHACOSA-N 2 1 345.487 1.875 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662681008 453402327 /nfs/dbraw/zinc/40/23/27/453402327.db2.gz RNNARXSLWUGJFN-HUUCEWRRSA-N 2 1 334.468 1.054 20 0 EDADMP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000662685245 453406220 /nfs/dbraw/zinc/40/62/20/453406220.db2.gz RAFKZGMBEHAFPP-HZPDHXFCSA-N 2 1 344.459 1.463 20 0 EDADMP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000662685245 453406230 /nfs/dbraw/zinc/40/62/30/453406230.db2.gz RAFKZGMBEHAFPP-HZPDHXFCSA-N 2 1 344.459 1.463 20 0 EDADMP CC[C@@H]([NH2+]C)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000662699484 453420628 /nfs/dbraw/zinc/42/06/28/453420628.db2.gz AYGLSCJJEGUZDL-CQSZACIVSA-N 2 1 348.447 1.019 20 0 EDADMP c1c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nnn1Cc1cccnc1 ZINC000656782972 453444816 /nfs/dbraw/zinc/44/48/16/453444816.db2.gz KLLCYJMXJVSQHB-SFHVURJKSA-N 2 1 340.475 1.933 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662730028 453457447 /nfs/dbraw/zinc/45/74/47/453457447.db2.gz YZMCWMHYSBVRFU-RCCFBDPRSA-N 2 1 331.460 1.331 20 0 EDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662730027 453457674 /nfs/dbraw/zinc/45/76/74/453457674.db2.gz YZMCWMHYSBVRFU-OKZBNKHCSA-N 2 1 331.460 1.331 20 0 EDADMP Cc1ccc(NCCCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)[nH+]c1 ZINC000662734295 453461465 /nfs/dbraw/zinc/46/14/65/453461465.db2.gz DUJRXXAVXBJXIE-CYBMUJFWSA-N 2 1 328.420 1.422 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662741608 453465804 /nfs/dbraw/zinc/46/58/04/453465804.db2.gz FWUKDBLDCMUYTH-JQHSSLGASA-N 2 1 332.492 1.292 20 0 EDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662741608 453465814 /nfs/dbraw/zinc/46/58/14/453465814.db2.gz FWUKDBLDCMUYTH-JQHSSLGASA-N 2 1 332.492 1.292 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C3CC[NH2+]CC3)no2)[C@@H](C)C1 ZINC000662743863 453470507 /nfs/dbraw/zinc/47/05/07/453470507.db2.gz ABUNHHNXPFKDDO-BBRMVZONSA-N 2 1 334.464 1.944 20 0 EDADMP O=C(c1cccc2c1CC[NH2+]C2)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000662745522 453474889 /nfs/dbraw/zinc/47/48/89/453474889.db2.gz IWOPRSKFKKDUMW-HNNXBMFYSA-N 2 1 329.444 1.127 20 0 EDADMP O=C(c1cccc2c1CC[NH2+]C2)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000662745525 453475379 /nfs/dbraw/zinc/47/53/79/453475379.db2.gz IWOPRSKFKKDUMW-OAHLLOKOSA-N 2 1 329.444 1.127 20 0 EDADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000660694184 453518823 /nfs/dbraw/zinc/51/88/23/453518823.db2.gz WIFAVICAWQPAES-UHFFFAOYSA-N 2 1 325.497 1.508 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000662798949 453533217 /nfs/dbraw/zinc/53/32/17/453533217.db2.gz HPDHUWZNEUOGOU-KZNAEPCWSA-N 2 1 331.460 1.473 20 0 EDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655445828 453534008 /nfs/dbraw/zinc/53/40/08/453534008.db2.gz OWOMUGBQXGFVLL-QUCCMNQESA-N 2 1 343.471 1.890 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1(CF)CCOCC1 ZINC000665027121 453546964 /nfs/dbraw/zinc/54/69/64/453546964.db2.gz VVAZLLXBINNNFS-HNNXBMFYSA-N 2 1 346.491 1.324 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1(CF)CCOCC1 ZINC000665027121 453546969 /nfs/dbraw/zinc/54/69/69/453546969.db2.gz VVAZLLXBINNNFS-HNNXBMFYSA-N 2 1 346.491 1.324 20 0 EDADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)[C@H]2C1 ZINC000667328042 453560717 /nfs/dbraw/zinc/56/07/17/453560717.db2.gz CJQZUNYTJXFTPY-QRVBRYPASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)[C@H]2C1 ZINC000667328042 453560719 /nfs/dbraw/zinc/56/07/19/453560719.db2.gz CJQZUNYTJXFTPY-QRVBRYPASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)[C@H]2C1 ZINC000667328042 453560724 /nfs/dbraw/zinc/56/07/24/453560724.db2.gz CJQZUNYTJXFTPY-QRVBRYPASA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+](C)CCC[C@@H]1CN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000665119888 453582533 /nfs/dbraw/zinc/58/25/33/453582533.db2.gz PMPICKFCOWWBMY-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000662872082 453583062 /nfs/dbraw/zinc/58/30/62/453583062.db2.gz JUVUOFOEKMYJDQ-QGZVFWFLSA-N 2 1 331.460 1.140 20 0 EDADMP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899873 453593893 /nfs/dbraw/zinc/59/38/93/453593893.db2.gz HJMCPVLGCGUXQZ-RBUKOAKNSA-N 2 1 344.503 1.703 20 0 EDADMP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899873 453593894 /nfs/dbraw/zinc/59/38/94/453593894.db2.gz HJMCPVLGCGUXQZ-RBUKOAKNSA-N 2 1 344.503 1.703 20 0 EDADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cnccc1N ZINC000665240317 453620113 /nfs/dbraw/zinc/62/01/13/453620113.db2.gz IBNLBZMRBRKUHD-WMLDXEAASA-N 2 1 326.444 1.912 20 0 EDADMP CCN(C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000665254762 453627381 /nfs/dbraw/zinc/62/73/81/453627381.db2.gz YSYLZRVVOHBBRL-WCXIOVBPSA-N 2 1 340.512 1.610 20 0 EDADMP CCN(C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000665254762 453627383 /nfs/dbraw/zinc/62/73/83/453627383.db2.gz YSYLZRVVOHBBRL-WCXIOVBPSA-N 2 1 340.512 1.610 20 0 EDADMP CCN(C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](CC)C1 ZINC000665254762 453627385 /nfs/dbraw/zinc/62/73/85/453627385.db2.gz YSYLZRVVOHBBRL-WCXIOVBPSA-N 2 1 340.512 1.610 20 0 EDADMP CCN(C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](CC)C1 ZINC000665254762 453627387 /nfs/dbraw/zinc/62/73/87/453627387.db2.gz YSYLZRVVOHBBRL-WCXIOVBPSA-N 2 1 340.512 1.610 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659096825 453629240 /nfs/dbraw/zinc/62/92/40/453629240.db2.gz WTKFQPMATPQOSX-CQSZACIVSA-N 2 1 332.448 1.334 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000660885954 453632477 /nfs/dbraw/zinc/63/24/77/453632477.db2.gz BPQVGYVGEWTQRI-HFTRVMKXSA-N 2 1 334.508 1.890 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000660885954 453632483 /nfs/dbraw/zinc/63/24/83/453632483.db2.gz BPQVGYVGEWTQRI-HFTRVMKXSA-N 2 1 334.508 1.890 20 0 EDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660885954 453632489 /nfs/dbraw/zinc/63/24/89/453632489.db2.gz BPQVGYVGEWTQRI-HFTRVMKXSA-N 2 1 334.508 1.890 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@]3(C)CC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000663012168 453646536 /nfs/dbraw/zinc/64/65/36/453646536.db2.gz VHAMMNVVURGYGT-CLCXKQKWSA-N 2 1 331.460 1.778 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000665357545 453665298 /nfs/dbraw/zinc/66/52/98/453665298.db2.gz PJWMLPVOKNAQLA-OAHLLOKOSA-N 2 1 340.512 1.611 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000665357545 453665304 /nfs/dbraw/zinc/66/53/04/453665304.db2.gz PJWMLPVOKNAQLA-OAHLLOKOSA-N 2 1 340.512 1.611 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665357545 453665308 /nfs/dbraw/zinc/66/53/08/453665308.db2.gz PJWMLPVOKNAQLA-OAHLLOKOSA-N 2 1 340.512 1.611 20 0 EDADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000665357545 453665312 /nfs/dbraw/zinc/66/53/12/453665312.db2.gz PJWMLPVOKNAQLA-OAHLLOKOSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH2+][C@@H](C(=O)NC[C@@H]1C[NH2+]CCO1)c1cccc(Cl)c1Cl ZINC000659323567 453716603 /nfs/dbraw/zinc/71/66/03/453716603.db2.gz XKXNDYYJHWDDFP-TVQRCGJNSA-N 2 1 332.231 1.359 20 0 EDADMP O=C(NCC[N@H+]1CCCOCC1)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000661236376 453769883 /nfs/dbraw/zinc/76/98/83/453769883.db2.gz VFAJOXAQDAQIKE-INIZCTEOSA-N 2 1 338.496 1.415 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661236376 453769888 /nfs/dbraw/zinc/76/98/88/453769888.db2.gz VFAJOXAQDAQIKE-INIZCTEOSA-N 2 1 338.496 1.415 20 0 EDADMP O=C(NCC[NH+]1CCCOCC1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661236376 453769892 /nfs/dbraw/zinc/76/98/92/453769892.db2.gz VFAJOXAQDAQIKE-INIZCTEOSA-N 2 1 338.496 1.415 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657350676 453772446 /nfs/dbraw/zinc/77/24/46/453772446.db2.gz WZWDKPIFUZCDKB-HXUWFJFHSA-N 2 1 347.503 1.972 20 0 EDADMP Cn1cc[nH+]c1N1CCC(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662545750 486658383 /nfs/dbraw/zinc/65/83/83/486658383.db2.gz RGPOSFQCIYPHOM-KRWDZBQOSA-N 2 1 339.443 1.740 20 0 EDADMP CC[NH+]1CCN(c2cncc(N3CC[N@H+](CC)[C@@H](C)C3)n2)C[C@@H]1C ZINC000672243127 486672794 /nfs/dbraw/zinc/67/27/94/486672794.db2.gz QIQGEJCAJNCDEK-HOTGVXAUSA-N 2 1 332.496 1.537 20 0 EDADMP C[C@H]1C[N@H+](CCCNc2nc(N3CCOCC3)cc[nH+]2)CCCO1 ZINC000683354113 486696317 /nfs/dbraw/zinc/69/63/17/486696317.db2.gz REWVBGODEVBSJW-HNNXBMFYSA-N 2 1 335.452 1.226 20 0 EDADMP C[C@H]1C[N@@H+](CCCNc2nc(N3CCOCC3)cc[nH+]2)CCCO1 ZINC000683354113 486696321 /nfs/dbraw/zinc/69/63/21/486696321.db2.gz REWVBGODEVBSJW-HNNXBMFYSA-N 2 1 335.452 1.226 20 0 EDADMP CC[C@H](C[NH+]1CCCC1)Nc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000672217789 486711709 /nfs/dbraw/zinc/71/17/09/486711709.db2.gz RLZLLCUIGSWXLD-CYBMUJFWSA-N 2 1 337.472 1.382 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676308572 486729693 /nfs/dbraw/zinc/72/96/93/486729693.db2.gz YAMPTAWTSBBGKS-BHYGNILZSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676308572 486729700 /nfs/dbraw/zinc/72/97/00/486729700.db2.gz YAMPTAWTSBBGKS-BHYGNILZSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676308572 486729707 /nfs/dbraw/zinc/72/97/07/486729707.db2.gz YAMPTAWTSBBGKS-BHYGNILZSA-N 2 1 338.496 1.079 20 0 EDADMP C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676308572 486729712 /nfs/dbraw/zinc/72/97/12/486729712.db2.gz YAMPTAWTSBBGKS-BHYGNILZSA-N 2 1 338.496 1.079 20 0 EDADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672884838 486829615 /nfs/dbraw/zinc/82/96/15/486829615.db2.gz NFRKPHZGVWUMPI-SFHVURJKSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+](Cc1ccccc1)C1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672884838 486829618 /nfs/dbraw/zinc/82/96/18/486829618.db2.gz NFRKPHZGVWUMPI-SFHVURJKSA-N 2 1 342.487 1.997 20 0 EDADMP C[NH+](Cc1ccccc1)C1CN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672884838 486829625 /nfs/dbraw/zinc/82/96/25/486829625.db2.gz NFRKPHZGVWUMPI-SFHVURJKSA-N 2 1 342.487 1.997 20 0 EDADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000676699805 486846336 /nfs/dbraw/zinc/84/63/36/486846336.db2.gz FLSPQLYRNLVTPY-MSOLQXFVSA-N 2 1 335.492 1.763 20 0 EDADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000683943185 486876213 /nfs/dbraw/zinc/87/62/13/486876213.db2.gz AEDMAHGGHDUFSN-UGSOOPFHSA-N 2 1 328.460 1.425 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000683943185 486876227 /nfs/dbraw/zinc/87/62/27/486876227.db2.gz AEDMAHGGHDUFSN-UGSOOPFHSA-N 2 1 328.460 1.425 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000683943185 486876230 /nfs/dbraw/zinc/87/62/30/486876230.db2.gz AEDMAHGGHDUFSN-UGSOOPFHSA-N 2 1 328.460 1.425 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000683943185 486876236 /nfs/dbraw/zinc/87/62/36/486876236.db2.gz AEDMAHGGHDUFSN-UGSOOPFHSA-N 2 1 328.460 1.425 20 0 EDADMP [NH3+]Cc1cccc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000667726330 486936232 /nfs/dbraw/zinc/93/62/32/486936232.db2.gz RQFDRIGBKZBGFM-DLBZAZTESA-N 2 1 332.448 1.910 20 0 EDADMP CC[N@H+]1CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[C@@H]1C ZINC000677202607 487008076 /nfs/dbraw/zinc/00/80/76/487008076.db2.gz LNPPPZAZFNDANA-ZDUSSCGKSA-N 2 1 347.463 1.405 20 0 EDADMP CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C[C@@H]1C ZINC000677219622 487013558 /nfs/dbraw/zinc/01/35/58/487013558.db2.gz TUTYUEMGGYSUGV-HNNXBMFYSA-N 2 1 346.475 1.548 20 0 EDADMP CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C[C@@H]1C ZINC000677219622 487013562 /nfs/dbraw/zinc/01/35/62/487013562.db2.gz TUTYUEMGGYSUGV-HNNXBMFYSA-N 2 1 346.475 1.548 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000673640683 487073746 /nfs/dbraw/zinc/07/37/46/487073746.db2.gz JTFKPAFEXKCTTQ-GGPKGHCWSA-N 2 1 343.471 1.366 20 0 EDADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000673640683 487073751 /nfs/dbraw/zinc/07/37/51/487073751.db2.gz JTFKPAFEXKCTTQ-GGPKGHCWSA-N 2 1 343.471 1.366 20 0 EDADMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC000673670583 487085412 /nfs/dbraw/zinc/08/54/12/487085412.db2.gz GNNJHUWZZAMONP-GOSISDBHSA-N 2 1 344.503 1.458 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000677902329 487196145 /nfs/dbraw/zinc/19/61/45/487196145.db2.gz XIMROJYBYMVJFA-RTBURBONSA-N 2 1 342.487 1.109 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000677902329 487196148 /nfs/dbraw/zinc/19/61/48/487196148.db2.gz XIMROJYBYMVJFA-RTBURBONSA-N 2 1 342.487 1.109 20 0 EDADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000677902329 487196151 /nfs/dbraw/zinc/19/61/51/487196151.db2.gz XIMROJYBYMVJFA-RTBURBONSA-N 2 1 342.487 1.109 20 0 EDADMP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000681970424 487268224 /nfs/dbraw/zinc/26/82/24/487268224.db2.gz UWOLDHZPQRFCHJ-CABCVRRESA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470504 487280468 /nfs/dbraw/zinc/28/04/68/487280468.db2.gz YWHIXCHOAGGRLS-BBRMVZONSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470504 487280471 /nfs/dbraw/zinc/28/04/71/487280471.db2.gz YWHIXCHOAGGRLS-BBRMVZONSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470504 487280472 /nfs/dbraw/zinc/28/04/72/487280472.db2.gz YWHIXCHOAGGRLS-BBRMVZONSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470504 487280474 /nfs/dbraw/zinc/28/04/74/487280474.db2.gz YWHIXCHOAGGRLS-BBRMVZONSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470504 487280476 /nfs/dbraw/zinc/28/04/76/487280476.db2.gz YWHIXCHOAGGRLS-BBRMVZONSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470504 487280479 /nfs/dbraw/zinc/28/04/79/487280479.db2.gz YWHIXCHOAGGRLS-BBRMVZONSA-N 2 1 325.478 1.830 20 0 EDADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470504 487280480 /nfs/dbraw/zinc/28/04/80/487280480.db2.gz YWHIXCHOAGGRLS-BBRMVZONSA-N 2 1 325.478 1.830 20 0 EDADMP C[N@H+](Cc1cnc2ccccn12)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678720277 487356503 /nfs/dbraw/zinc/35/65/03/487356503.db2.gz VBJPCSIMKDFTKN-KRWDZBQOSA-N 2 1 327.476 1.935 20 0 EDADMP C[N@@H+](Cc1cnc2ccccn12)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678720277 487356506 /nfs/dbraw/zinc/35/65/06/487356506.db2.gz VBJPCSIMKDFTKN-KRWDZBQOSA-N 2 1 327.476 1.935 20 0 EDADMP CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679508592 487433881 /nfs/dbraw/zinc/43/38/81/487433881.db2.gz NTTRFCWUTAPXEM-UHFFFAOYSA-N 2 1 344.419 1.054 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679508592 487433883 /nfs/dbraw/zinc/43/38/83/487433883.db2.gz NTTRFCWUTAPXEM-UHFFFAOYSA-N 2 1 344.419 1.054 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000669528898 485503494 /nfs/dbraw/zinc/50/34/94/485503494.db2.gz PUXQFOCXUSZJPO-LAQRGFTBSA-N 2 1 346.475 1.407 20 0 EDADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)N[C@H]1CCC[NH2+]CC1 ZINC000669556101 485559358 /nfs/dbraw/zinc/55/93/58/485559358.db2.gz HBTVYHMAPXEGOA-ZWKOTPCHSA-N 2 1 346.475 1.195 20 0 EDADMP [NH3+][C@@H]1CCCN(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000669570309 485588432 /nfs/dbraw/zinc/58/84/32/485588432.db2.gz OIUYIIFWLUSRII-IAGOWNOFSA-N 2 1 348.516 1.737 20 0 EDADMP [NH3+][C@@H]1CCCN(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000669570309 485588433 /nfs/dbraw/zinc/58/84/33/485588433.db2.gz OIUYIIFWLUSRII-IAGOWNOFSA-N 2 1 348.516 1.737 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CCO1 ZINC000669587429 485639321 /nfs/dbraw/zinc/63/93/21/485639321.db2.gz FGSSAEARTZWNKY-IDCNUPLLSA-N 2 1 346.475 1.407 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000345380136 485973833 /nfs/dbraw/zinc/97/38/33/485973833.db2.gz LYAQUBFFQDMKFX-SIUPPRGNSA-N 2 1 335.492 1.475 20 0 EDADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000347090944 486011341 /nfs/dbraw/zinc/01/13/41/486011341.db2.gz HMHJRLOKBJQNBO-DDBAPUKQSA-N 2 1 337.508 1.674 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000668665622 486015470 /nfs/dbraw/zinc/01/54/70/486015470.db2.gz CIIGTYWATNRZBD-KURKYZTESA-N 2 1 328.460 1.654 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]C1 ZINC000669420238 486139413 /nfs/dbraw/zinc/13/94/13/486139413.db2.gz FXKMBMGPNPJEMH-QZTJIDSGSA-N 2 1 330.476 1.950 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cn2cc[nH+]c12 ZINC000454102325 486442896 /nfs/dbraw/zinc/44/28/96/486442896.db2.gz PGCONQXLHTZFAI-OAHLLOKOSA-N 2 1 343.431 1.522 20 0 EDADMP Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cn2cc[nH+]c12 ZINC000454102325 486442899 /nfs/dbraw/zinc/44/28/99/486442899.db2.gz PGCONQXLHTZFAI-OAHLLOKOSA-N 2 1 343.431 1.522 20 0 EDADMP C[N@@H+](CCN1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000167700846 486482080 /nfs/dbraw/zinc/48/20/80/486482080.db2.gz CJKRSJNQUGQSRC-FQEVSTJZSA-N 2 1 344.503 1.262 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000073225586 491007762 /nfs/dbraw/zinc/00/77/62/491007762.db2.gz VVJYMTYHJQYOOB-CALCHBBNSA-N 2 1 336.524 1.345 20 0 EDADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000073385354 491008273 /nfs/dbraw/zinc/00/82/73/491008273.db2.gz VVGFEDDIXPROHN-SFHVURJKSA-N 2 1 330.476 1.846 20 0 EDADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000073385354 491008274 /nfs/dbraw/zinc/00/82/74/491008274.db2.gz VVGFEDDIXPROHN-SFHVURJKSA-N 2 1 330.476 1.846 20 0 EDADMP Cc1cc(N2CC[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C2=O)n(C)n1 ZINC000173778482 533901570 /nfs/dbraw/zinc/90/15/70/533901570.db2.gz RTWMQQBHWCNTEU-HUUCEWRRSA-N 2 1 335.496 1.790 20 0 EDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC[NH+]1CCCOCC1 ZINC000187357929 534025611 /nfs/dbraw/zinc/02/56/11/534025611.db2.gz KIHFUUWZUKXKFW-QGZVFWFLSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187357929 534025617 /nfs/dbraw/zinc/02/56/17/534025617.db2.gz KIHFUUWZUKXKFW-QGZVFWFLSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000187357929 534025626 /nfs/dbraw/zinc/02/56/26/534025626.db2.gz KIHFUUWZUKXKFW-QGZVFWFLSA-N 2 1 348.491 1.528 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000174129639 528255754 /nfs/dbraw/zinc/25/57/54/528255754.db2.gz IFUFMJINTFEUME-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000174129639 528255757 /nfs/dbraw/zinc/25/57/57/528255757.db2.gz IFUFMJINTFEUME-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000164606394 528834571 /nfs/dbraw/zinc/83/45/71/528834571.db2.gz FPIILFQSOSVVRR-SFHVURJKSA-N 2 1 333.476 1.912 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000339607144 535065694 /nfs/dbraw/zinc/06/56/94/535065694.db2.gz IJKDCFMAGPSLOL-HZPDHXFCSA-N 2 1 340.512 1.163 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)[C@@]1(CC)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000119589658 535108908 /nfs/dbraw/zinc/10/89/08/535108908.db2.gz OYYBEVHLGOALJC-AEFFLSMTSA-N 2 1 325.497 1.629 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000345516937 535235184 /nfs/dbraw/zinc/23/51/84/535235184.db2.gz AYHIDSJBPDDLIZ-MRXNPFEDSA-N 2 1 347.507 1.684 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000339948433 535574744 /nfs/dbraw/zinc/57/47/44/535574744.db2.gz ZKFRUKVVHGQHAP-KRWDZBQOSA-N 3 1 341.544 1.386 20 0 EDADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000077208565 535712181 /nfs/dbraw/zinc/71/21/81/535712181.db2.gz NALSQGQSPDTNLP-QGZVFWFLSA-N 2 1 339.528 1.045 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000333826806 535838076 /nfs/dbraw/zinc/83/80/76/535838076.db2.gz LTVUVEKEMUGFBD-KURKYZTESA-N 2 1 337.508 1.853 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000076467849 536023101 /nfs/dbraw/zinc/02/31/01/536023101.db2.gz KZOCTMYWKUQHGK-KRWDZBQOSA-N 2 1 331.460 1.543 20 0 EDADMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261626188 536110693 /nfs/dbraw/zinc/11/06/93/536110693.db2.gz CPIXIIRRBBJDET-XIRDDKMYSA-N 2 1 337.489 1.496 20 0 EDADMP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000353423848 536137803 /nfs/dbraw/zinc/13/78/03/536137803.db2.gz FOSXZHSDMSBFLH-LJQANCHMSA-N 2 1 342.491 1.594 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132846706 536370275 /nfs/dbraw/zinc/37/02/75/536370275.db2.gz CREBPMGQKUBDKF-GOSISDBHSA-N 2 1 331.460 1.442 20 0 EDADMP CN(CC[NH+]1CCCC1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132846706 536370277 /nfs/dbraw/zinc/37/02/77/536370277.db2.gz CREBPMGQKUBDKF-GOSISDBHSA-N 2 1 331.460 1.442 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)[C@@H]1c1cccs1 ZINC000262435600 536385743 /nfs/dbraw/zinc/38/57/43/536385743.db2.gz UGXAFAPRLIFRIF-CKEIUWERSA-N 2 1 337.489 1.626 20 0 EDADMP C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000346538437 536417974 /nfs/dbraw/zinc/41/79/74/536417974.db2.gz SKCODACSWCDCGW-HOTGVXAUSA-N 2 1 346.393 1.869 20 0 EDADMP C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000346538437 536417978 /nfs/dbraw/zinc/41/79/78/536417978.db2.gz SKCODACSWCDCGW-HOTGVXAUSA-N 2 1 346.393 1.869 20 0 EDADMP C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000346538437 536417981 /nfs/dbraw/zinc/41/79/81/536417981.db2.gz SKCODACSWCDCGW-HOTGVXAUSA-N 2 1 346.393 1.869 20 0 EDADMP C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000346538437 536417984 /nfs/dbraw/zinc/41/79/84/536417984.db2.gz SKCODACSWCDCGW-HOTGVXAUSA-N 2 1 346.393 1.869 20 0 EDADMP COC[C@]1(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261555629 536656504 /nfs/dbraw/zinc/65/65/04/536656504.db2.gz BNQFWTMWSHFYLJ-POAQFYNOSA-N 2 1 345.487 1.639 20 0 EDADMP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000743324222 579476120 /nfs/dbraw/zinc/47/61/20/579476120.db2.gz UWPDBIJWSOJLRH-INIZCTEOSA-N 2 1 336.480 1.916 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729683384 578587342 /nfs/dbraw/zinc/58/73/42/578587342.db2.gz MCQLPKZVDOMTJE-HRCADAONSA-N 2 1 339.480 1.839 20 0 EDADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729683384 578587343 /nfs/dbraw/zinc/58/73/43/578587343.db2.gz MCQLPKZVDOMTJE-HRCADAONSA-N 2 1 339.480 1.839 20 0 EDADMP CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000733029886 578739179 /nfs/dbraw/zinc/73/91/79/578739179.db2.gz LPTFGOGGUSAKPB-CVEARBPZSA-N 2 1 325.497 1.317 20 0 EDADMP CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000733029886 578739181 /nfs/dbraw/zinc/73/91/81/578739181.db2.gz LPTFGOGGUSAKPB-CVEARBPZSA-N 2 1 325.497 1.317 20 0 EDADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734280482 578805098 /nfs/dbraw/zinc/80/50/98/578805098.db2.gz LMSKKZCPFODDRG-RDJZCZTQSA-N 2 1 336.480 1.166 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1SCCS1 ZINC000761155959 580050011 /nfs/dbraw/zinc/05/00/11/580050011.db2.gz NBUAULKCCJXWFE-CYBMUJFWSA-N 2 1 331.551 1.667 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C(=O)CN(c3ccccc3)C2=O)CC1 ZINC000738077326 579157538 /nfs/dbraw/zinc/15/75/38/579157538.db2.gz SIJDPFBWWNZVHZ-UHFFFAOYSA-N 2 1 330.432 1.686 20 0 EDADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000758456563 579982903 /nfs/dbraw/zinc/98/29/03/579982903.db2.gz TUIREELXNSWGIR-HYVNUMGLSA-N 2 1 338.496 1.221 20 0 EDADMP C[NH+](C)CC1CC[NH+](CN2C(=O)C[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000763323615 580097732 /nfs/dbraw/zinc/09/77/32/580097732.db2.gz WJVLWXULOAOSJR-FQEVSTJZSA-N 2 1 343.471 1.934 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000775690735 580397352 /nfs/dbraw/zinc/39/73/52/580397352.db2.gz QHAMPZHWZRDCIF-ZHALLVOQSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000775690735 580397353 /nfs/dbraw/zinc/39/73/53/580397353.db2.gz QHAMPZHWZRDCIF-ZHALLVOQSA-N 2 1 345.487 1.734 20 0 EDADMP CC(C)c1noc([C@H](C)ONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000779652182 580493082 /nfs/dbraw/zinc/49/30/82/580493082.db2.gz MTQBTOVQGBGFAL-RYUDHWBXSA-N 2 1 325.413 1.862 20 0 EDADMP CC(C)c1noc([C@H](C)ONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000779652182 580493083 /nfs/dbraw/zinc/49/30/83/580493083.db2.gz MTQBTOVQGBGFAL-RYUDHWBXSA-N 2 1 325.413 1.862 20 0 EDADMP COC(=O)c1cc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)c(C)o1 ZINC000779652314 580493127 /nfs/dbraw/zinc/49/31/27/580493127.db2.gz GXCMMNRPPFBXAN-AWEZNQCLSA-N 2 1 339.392 1.482 20 0 EDADMP COC(=O)c1cc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)c(C)o1 ZINC000779652314 580493128 /nfs/dbraw/zinc/49/31/28/580493128.db2.gz GXCMMNRPPFBXAN-AWEZNQCLSA-N 2 1 339.392 1.482 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2nc(-c3ccoc3)no2)C1 ZINC000779655882 580493634 /nfs/dbraw/zinc/49/36/34/580493634.db2.gz WEKRRXJRWWTZRK-LBPRGKRZSA-N 2 1 335.364 1.437 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2nc(-c3ccoc3)no2)C1 ZINC000779655882 580493635 /nfs/dbraw/zinc/49/36/35/580493635.db2.gz WEKRRXJRWWTZRK-LBPRGKRZSA-N 2 1 335.364 1.437 20 0 EDADMP C[C@H](C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000780947179 580538501 /nfs/dbraw/zinc/53/85/01/580538501.db2.gz SMRJGRMJEZTNIX-UCIFAOBLSA-N 2 1 337.508 1.958 20 0 EDADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CC[NH+]1CCOCC1)[NH+](C)C ZINC000785434797 580644376 /nfs/dbraw/zinc/64/43/76/580644376.db2.gz VXQSGBQOBCQPHW-VQIMIIECSA-N 2 1 333.476 1.825 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)CC1 ZINC000794609457 580899714 /nfs/dbraw/zinc/89/97/14/580899714.db2.gz ZTSASOCEXXSAPU-WDSOQIARSA-N 2 1 347.503 1.887 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)CC1 ZINC000794609458 580899719 /nfs/dbraw/zinc/89/97/19/580899719.db2.gz ZTSASOCEXXSAPU-YTQUADARSA-N 2 1 347.503 1.887 20 0 EDADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)s1 ZINC000796321028 580950865 /nfs/dbraw/zinc/95/08/65/580950865.db2.gz SETHQEHNIQPTKI-CVEARBPZSA-N 2 1 338.521 1.938 20 0 EDADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](O)c1ccc(C)cc1 ZINC000801518932 581078917 /nfs/dbraw/zinc/07/89/17/581078917.db2.gz YZBQDXRLBWFPAE-GOSISDBHSA-N 2 1 333.476 1.514 20 0 EDADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](O)c1ccc(C)cc1 ZINC000801518932 581078918 /nfs/dbraw/zinc/07/89/18/581078918.db2.gz YZBQDXRLBWFPAE-GOSISDBHSA-N 2 1 333.476 1.514 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCCCC[C@H]([NH3+])C2)CCCO1 ZINC000891857096 590657828 /nfs/dbraw/zinc/65/78/28/590657828.db2.gz YOZIAHUZCNUKPC-CVEARBPZSA-N 2 1 326.485 1.400 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000891856585 590657889 /nfs/dbraw/zinc/65/78/89/590657889.db2.gz RZSQHOLNTAPFKY-NXHRZFHOSA-N 2 1 346.475 1.409 20 0 EDADMP C[N@@H+]1C[C@H]2CN(C(=O)NCCC[NH+]3CCc4ccccc4C3)C[C@H]2C1 ZINC000891891707 590674754 /nfs/dbraw/zinc/67/47/54/590674754.db2.gz BOLYPZASLYMEEZ-KDURUIRLSA-N 2 1 342.487 1.638 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C[C@H]2C1 ZINC000891891707 590674755 /nfs/dbraw/zinc/67/47/55/590674755.db2.gz BOLYPZASLYMEEZ-KDURUIRLSA-N 2 1 342.487 1.638 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)C[C@H]2C1 ZINC000891891707 590674756 /nfs/dbraw/zinc/67/47/56/590674756.db2.gz BOLYPZASLYMEEZ-KDURUIRLSA-N 2 1 342.487 1.638 20 0 EDADMP C[N@H+]1CCC[C@H](CCNC(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000891956387 590706882 /nfs/dbraw/zinc/70/68/82/590706882.db2.gz PVGDNZATUPJJHH-MSOLQXFVSA-N 2 1 332.492 1.978 20 0 EDADMP CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000892214675 590867494 /nfs/dbraw/zinc/86/74/94/590867494.db2.gz VVLISXCHWLHNDD-QWHCGFSZSA-N 2 1 338.418 1.743 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000892280176 590910282 /nfs/dbraw/zinc/91/02/82/590910282.db2.gz INYNBDDVIDJXGG-INIZCTEOSA-N 2 1 334.464 1.311 20 0 EDADMP C[NH2+]CCOCCNC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000892280179 590910371 /nfs/dbraw/zinc/91/03/71/590910371.db2.gz INYNBDDVIDJXGG-MRXNPFEDSA-N 2 1 334.464 1.311 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc3c2CC[NH2+]C3)CC[N@H+]1C ZINC000892343934 590972073 /nfs/dbraw/zinc/97/20/73/590972073.db2.gz XJACEELBZKELBE-PBHICJAKSA-N 2 1 330.476 1.956 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892382883 591003253 /nfs/dbraw/zinc/00/32/53/591003253.db2.gz BWXYAJYGODUEBF-INIZCTEOSA-N 2 1 341.544 1.290 20 0 EDADMP CN(CCCN(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)CC[NH+](C)C ZINC000892382883 591003258 /nfs/dbraw/zinc/00/32/58/591003258.db2.gz BWXYAJYGODUEBF-INIZCTEOSA-N 2 1 341.544 1.290 20 0 EDADMP [NH3+][C@H](CCNC(=O)NC[C@H]1CCC[N@H+]1CCCO)Cc1ccccc1 ZINC000892407914 591015327 /nfs/dbraw/zinc/01/53/27/591015327.db2.gz JAIQXVOLNGAYLF-QZTJIDSGSA-N 2 1 348.491 1.093 20 0 EDADMP CC(C)(C[NH+]1CCCC1)NC(=S)NCCC[NH+]1CCOCC1 ZINC000840832556 591021877 /nfs/dbraw/zinc/02/18/77/591021877.db2.gz HGECXJNHBRELMD-UHFFFAOYSA-N 2 1 328.526 1.047 20 0 EDADMP COCCOC[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000892421933 591021879 /nfs/dbraw/zinc/02/18/79/591021879.db2.gz RMFOGAMTNZXCKT-JKSUJKDBSA-N 2 1 341.521 1.678 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892433277 591027015 /nfs/dbraw/zinc/02/70/15/591027015.db2.gz HGUQGCIWEWKWQS-WKILWMFISA-N 2 1 327.517 1.029 20 0 EDADMP CN(CCCN(C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)CC[NH+](C)C ZINC000892433277 591027018 /nfs/dbraw/zinc/02/70/18/591027018.db2.gz HGUQGCIWEWKWQS-WKILWMFISA-N 2 1 327.517 1.029 20 0 EDADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)COC(C)=O)cc2)CC1 ZINC000892596676 591087177 /nfs/dbraw/zinc/08/71/77/591087177.db2.gz MTHAUJSSIYYPPH-INIZCTEOSA-N 2 1 333.476 1.865 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000891543381 591114780 /nfs/dbraw/zinc/11/47/80/591114780.db2.gz PUYYLSSFZFZFCU-GGPKGHCWSA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000891543381 591114786 /nfs/dbraw/zinc/11/47/86/591114786.db2.gz PUYYLSSFZFZFCU-GGPKGHCWSA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000891543381 591114790 /nfs/dbraw/zinc/11/47/90/591114790.db2.gz PUYYLSSFZFZFCU-GGPKGHCWSA-N 2 1 342.487 1.854 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000891542793 591115375 /nfs/dbraw/zinc/11/53/75/591115375.db2.gz LLOTYDKDFAGHEY-FGTMMUONSA-N 2 1 328.460 1.464 20 0 EDADMP C[NH+]1C[C@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000891542793 591115378 /nfs/dbraw/zinc/11/53/78/591115378.db2.gz LLOTYDKDFAGHEY-FGTMMUONSA-N 2 1 328.460 1.464 20 0 EDADMP CC[C@H](CO)Nc1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)ncn1 ZINC000893960432 591150021 /nfs/dbraw/zinc/15/00/21/591150021.db2.gz SJOMWMYAVOYZKW-HUUCEWRRSA-N 2 1 333.480 1.970 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891630138 591158705 /nfs/dbraw/zinc/15/87/05/591158705.db2.gz FRJACBAXKFMSSA-UHFFFAOYSA-N 2 1 325.482 1.401 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3C[NH+](C)C[C@H]32)C[C@H](C)O1 ZINC000891699646 591190008 /nfs/dbraw/zinc/19/00/08/591190008.db2.gz RUIWFMDYTFTANZ-QKPAOTATSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3C[NH+](C)C[C@H]32)C[C@H](C)O1 ZINC000891699646 591190010 /nfs/dbraw/zinc/19/00/10/591190010.db2.gz RUIWFMDYTFTANZ-QKPAOTATSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)C[C@H](C)O1 ZINC000891699646 591190011 /nfs/dbraw/zinc/19/00/11/591190011.db2.gz RUIWFMDYTFTANZ-QKPAOTATSA-N 2 1 338.496 1.220 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)C[C@H](C)O1 ZINC000891699646 591190012 /nfs/dbraw/zinc/19/00/12/591190012.db2.gz RUIWFMDYTFTANZ-QKPAOTATSA-N 2 1 338.496 1.220 20 0 EDADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]C2CCC2)CC1 ZINC000892817563 591192835 /nfs/dbraw/zinc/19/28/35/591192835.db2.gz DZMHQCFHKXNHEE-SJORKVTESA-N 2 1 336.480 1.166 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891800930 591228515 /nfs/dbraw/zinc/22/85/15/591228515.db2.gz XLKUPWRCPOMNEU-WOGUSJMUSA-N 2 1 342.487 1.758 20 0 EDADMP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(N[C@H]2CC[NH+](C)[C@H]2C)c1F ZINC000895737792 591265221 /nfs/dbraw/zinc/26/52/21/591265221.db2.gz ZBTZULNMSLDUOM-RFQIPJPRSA-N 2 1 336.459 1.933 20 0 EDADMP Cc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@H]2CC[N@H+](C)[C@H]2C)c1F ZINC000895737792 591265224 /nfs/dbraw/zinc/26/52/24/591265224.db2.gz ZBTZULNMSLDUOM-RFQIPJPRSA-N 2 1 336.459 1.933 20 0 EDADMP Cc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@H]2CC[N@@H+](C)[C@H]2C)c1F ZINC000895737792 591265225 /nfs/dbraw/zinc/26/52/25/591265225.db2.gz ZBTZULNMSLDUOM-RFQIPJPRSA-N 2 1 336.459 1.933 20 0 EDADMP COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000895761084 591267340 /nfs/dbraw/zinc/26/73/40/591267340.db2.gz AXRUWEQBXBQZHJ-SFHVURJKSA-N 2 1 342.480 1.387 20 0 EDADMP COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000895761084 591267342 /nfs/dbraw/zinc/26/73/42/591267342.db2.gz AXRUWEQBXBQZHJ-SFHVURJKSA-N 2 1 342.480 1.387 20 0 EDADMP CN(CC[N@@H+](C)[C@@H]1CCC2(C[C@@H]1F)OCCO2)C1CC[NH+](C)CC1 ZINC000894453068 591316190 /nfs/dbraw/zinc/31/61/90/591316190.db2.gz AMOAYYJLYBIYIR-DLBZAZTESA-N 2 1 343.487 1.578 20 0 EDADMP CN(C)c1[nH+]cc(CN2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)n1C ZINC000895994397 591321033 /nfs/dbraw/zinc/32/10/33/591321033.db2.gz DNJIMWFRWGRQBP-INIZCTEOSA-N 2 1 335.496 1.561 20 0 EDADMP C[C@@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000896291541 591416674 /nfs/dbraw/zinc/41/66/74/591416674.db2.gz CPYQCKLIZUGWHR-MAUKXSAKSA-N 2 1 331.460 1.344 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC000897469707 591471203 /nfs/dbraw/zinc/47/12/03/591471203.db2.gz PBZNNQQSXOIUOQ-OAHLLOKOSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000897514840 591514825 /nfs/dbraw/zinc/51/48/25/591514825.db2.gz AITRKUDRWPNABK-SJORKVTESA-N 2 1 338.496 1.367 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897545541 591545289 /nfs/dbraw/zinc/54/52/89/591545289.db2.gz PZYUCJPBCPLHRX-MRXNPFEDSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000896617753 591554225 /nfs/dbraw/zinc/55/42/25/591554225.db2.gz JVKDLRYCZKRBRS-BGTYHANMSA-N 2 1 330.476 1.724 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC[NH+]1C ZINC000896617753 591554227 /nfs/dbraw/zinc/55/42/27/591554227.db2.gz JVKDLRYCZKRBRS-BGTYHANMSA-N 2 1 330.476 1.724 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC[NH+]1C ZINC000896617753 591554230 /nfs/dbraw/zinc/55/42/30/591554230.db2.gz JVKDLRYCZKRBRS-BGTYHANMSA-N 2 1 330.476 1.724 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000909439620 591571748 /nfs/dbraw/zinc/57/17/48/591571748.db2.gz QWELPXOWJDRSBV-CVEARBPZSA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000909439620 591571751 /nfs/dbraw/zinc/57/17/51/591571751.db2.gz QWELPXOWJDRSBV-CVEARBPZSA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000909439620 591571754 /nfs/dbraw/zinc/57/17/54/591571754.db2.gz QWELPXOWJDRSBV-CVEARBPZSA-N 2 1 339.480 1.203 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000909439620 591571757 /nfs/dbraw/zinc/57/17/57/591571757.db2.gz QWELPXOWJDRSBV-CVEARBPZSA-N 2 1 339.480 1.203 20 0 EDADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)CC(C)(C)C ZINC000899201358 591727645 /nfs/dbraw/zinc/72/76/45/591727645.db2.gz UASMFNGMFBLPPO-INIZCTEOSA-N 2 1 325.497 1.724 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000897237317 591782339 /nfs/dbraw/zinc/78/23/39/591782339.db2.gz GZMCVIJIRWAJRZ-GUDVDZBRSA-N 2 1 345.487 1.595 20 0 EDADMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000897237317 591782342 /nfs/dbraw/zinc/78/23/42/591782342.db2.gz GZMCVIJIRWAJRZ-GUDVDZBRSA-N 2 1 345.487 1.595 20 0 EDADMP CC1CC[NH+](CCCCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900217338 591946608 /nfs/dbraw/zinc/94/66/08/591946608.db2.gz VZSBDTYTVULZOP-GOSISDBHSA-N 2 1 325.497 1.462 20 0 EDADMP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000899909264 591975778 /nfs/dbraw/zinc/97/57/78/591975778.db2.gz NYVMGZNPDYWWJX-LJQANCHMSA-N 2 1 331.460 1.178 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000899909264 591975780 /nfs/dbraw/zinc/97/57/80/591975780.db2.gz NYVMGZNPDYWWJX-LJQANCHMSA-N 2 1 331.460 1.178 20 0 EDADMP C/C(=C/C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)CN1CCOCC1 ZINC000900352214 591992844 /nfs/dbraw/zinc/99/28/44/591992844.db2.gz CXICDNRBQZBZJU-GQXMHKPQSA-N 2 1 337.508 1.748 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)C(C)(C)CC ZINC000900480152 592030197 /nfs/dbraw/zinc/03/01/97/592030197.db2.gz CYVUCIWURXLUCO-HNNXBMFYSA-N 2 1 325.497 1.866 20 0 EDADMP Cc1cccc(NC(=O)CONC(=[NH2+])[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000902811463 592069139 /nfs/dbraw/zinc/06/91/39/592069139.db2.gz WCKSJCMXHNEFAD-LSDHHAIUSA-N 2 1 332.404 1.295 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)CN1CC[C@@H](Nc2ncccn2)C1 ZINC000903027607 592108157 /nfs/dbraw/zinc/10/81/57/592108157.db2.gz VBHHTSOQIMPNRM-MSOLQXFVSA-N 2 1 341.459 1.456 20 0 EDADMP CN(Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903027607 592108159 /nfs/dbraw/zinc/10/81/59/592108159.db2.gz VBHHTSOQIMPNRM-MSOLQXFVSA-N 2 1 341.459 1.456 20 0 EDADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903027607 592108161 /nfs/dbraw/zinc/10/81/61/592108161.db2.gz VBHHTSOQIMPNRM-MSOLQXFVSA-N 2 1 341.459 1.456 20 0 EDADMP CC1CCC([NH+]2CCN(C(=O)C[C@]3(O)CCC[N@@H+](C)C3)CC2)CC1 ZINC000900732678 592111912 /nfs/dbraw/zinc/11/19/12/592111912.db2.gz VQQKUPPFKZIXPX-FAFZWHIHSA-N 2 1 337.508 1.556 20 0 EDADMP CC(=O)OCc1cccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000903090551 592118602 /nfs/dbraw/zinc/11/86/02/592118602.db2.gz CWLNICSPCPWKGS-OAHLLOKOSA-N 2 1 347.459 1.564 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C3CCN(C(C)=O)CC3)C2)[C@@H]1C(C)C ZINC000903116971 592123634 /nfs/dbraw/zinc/12/36/34/592123634.db2.gz BSSFDYDQCJXESJ-YRXWBPOGSA-N 2 1 337.508 1.457 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)[C@H](C)C1 ZINC000903191174 592136803 /nfs/dbraw/zinc/13/68/03/592136803.db2.gz PAYLQMOYOJQXJW-HUUCEWRRSA-N 2 1 345.553 1.947 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)COCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000903277812 592150310 /nfs/dbraw/zinc/15/03/10/592150310.db2.gz CHOUCTLHNIMFFG-HOJAQTOUSA-N 2 1 347.503 1.322 20 0 EDADMP CN1CCOC[C@]1(CO)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000903280385 592151010 /nfs/dbraw/zinc/15/10/10/592151010.db2.gz NCSKXCHDBGQBSR-GOSISDBHSA-N 2 1 325.497 1.066 20 0 EDADMP FC(F)(F)[C@H]1CC[C@@H](CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)O1 ZINC000903505606 592181969 /nfs/dbraw/zinc/18/19/69/592181969.db2.gz DVECCZGGZDETSJ-XUWVNRHRSA-N 2 1 347.425 1.997 20 0 EDADMP COCc1noc([C@H](C)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000903507095 592198851 /nfs/dbraw/zinc/19/88/51/592198851.db2.gz MWARZMIFGONRPL-AEGPPILISA-N 2 1 335.452 1.178 20 0 EDADMP CN(C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901074595 592223981 /nfs/dbraw/zinc/22/39/81/592223981.db2.gz GROZKYTXBFUWMF-LMMKCTJWSA-N 2 1 331.460 1.174 20 0 EDADMP CN(C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000901074595 592223982 /nfs/dbraw/zinc/22/39/82/592223982.db2.gz GROZKYTXBFUWMF-LMMKCTJWSA-N 2 1 331.460 1.174 20 0 EDADMP CN(C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000901074595 592223983 /nfs/dbraw/zinc/22/39/83/592223983.db2.gz GROZKYTXBFUWMF-LMMKCTJWSA-N 2 1 331.460 1.174 20 0 EDADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C(C)C ZINC000906650767 592234663 /nfs/dbraw/zinc/23/46/63/592234663.db2.gz MZKOLMZCFYVHHI-UHFFFAOYSA-N 2 1 334.464 1.665 20 0 EDADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[N@H+]1C1CC1 ZINC000906656420 592238284 /nfs/dbraw/zinc/23/82/84/592238284.db2.gz GVXGRDLFSZIYQW-DOMZBBRYSA-N 2 1 344.459 1.560 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2C[NH3+])C[C@@H]1C ZINC000906657101 592239365 /nfs/dbraw/zinc/23/93/65/592239365.db2.gz KEAPJGYWAZCGII-ZFWWWQNUSA-N 2 1 332.448 1.415 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906665718 592247745 /nfs/dbraw/zinc/24/77/45/592247745.db2.gz DFKNCCCQTVUFOW-HNNXBMFYSA-N 2 1 332.448 1.320 20 0 EDADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906680273 592261133 /nfs/dbraw/zinc/26/11/33/592261133.db2.gz MPFHOULWZMXAQL-CVEARBPZSA-N 2 1 344.459 1.514 20 0 EDADMP Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccncc1O[C@H]1CC[NH2+]C1 ZINC000904449708 592264076 /nfs/dbraw/zinc/26/40/76/592264076.db2.gz NZSAWBJJBMUVOD-HNNXBMFYSA-N 2 1 344.463 1.220 20 0 EDADMP Cc1nc(CN2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)oc1C ZINC000903738198 592300019 /nfs/dbraw/zinc/30/00/19/592300019.db2.gz ZGBWYMPWBUXDTI-KRWDZBQOSA-N 2 1 348.491 1.568 20 0 EDADMP c1ccc2oc(N3CC[NH+](C[C@@H]4C[C@@]5(CC[NH2+]C5)CO4)CC3)nc2c1 ZINC000903740024 592301119 /nfs/dbraw/zinc/30/11/19/592301119.db2.gz RUQSSWGQKFRWLZ-HNAYVOBHSA-N 2 1 342.443 1.718 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCCc1nc3ccccc3s1)C2 ZINC000903843484 592342610 /nfs/dbraw/zinc/34/26/10/592342610.db2.gz LVGRBXJNYCOSRN-IHRRRGAJSA-N 2 1 344.484 1.767 20 0 EDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCCc1nc3ccccc3s1)C2 ZINC000903843484 592342615 /nfs/dbraw/zinc/34/26/15/592342615.db2.gz LVGRBXJNYCOSRN-IHRRRGAJSA-N 2 1 344.484 1.767 20 0 EDADMP CCOC(=O)CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC1CC1 ZINC000903889162 592351327 /nfs/dbraw/zinc/35/13/27/592351327.db2.gz PJEOHFLHBXDPII-HNNXBMFYSA-N 2 1 335.452 1.368 20 0 EDADMP Cc1c(C[C@H](C[NH3+])CN2CC[N@@H+](C)C[C@H]2c2ccccc2)cnn1C ZINC000903872777 592354694 /nfs/dbraw/zinc/35/46/94/592354694.db2.gz CGXHQAPFGXDSHT-XLIONFOSSA-N 2 1 341.503 1.835 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)C[C@H]2COc3ccccc3O2)cnn1C ZINC000903876692 592356573 /nfs/dbraw/zinc/35/65/73/592356573.db2.gz HLLHENVTUYHIMY-RDJZCZTQSA-N 2 1 344.459 1.618 20 0 EDADMP Cc1c(C[C@H](C[NH3+])CN2CCC(C[NH+]3CCCC3)CC2)cnn1C ZINC000903881319 592361016 /nfs/dbraw/zinc/36/10/16/592361016.db2.gz YHWZMCZSOFPGMQ-GOSISDBHSA-N 2 1 333.524 1.654 20 0 EDADMP CCOC(=O)CC1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903884005 592362857 /nfs/dbraw/zinc/36/28/57/592362857.db2.gz OUAOQDJGLAATOP-OAHLLOKOSA-N 2 1 335.452 1.368 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(O)(C(F)(F)F)CC2)cnn1C ZINC000903902268 592370787 /nfs/dbraw/zinc/37/07/87/592370787.db2.gz FMNWKCKTHUNHOO-LBPRGKRZSA-N 2 1 334.386 1.235 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](CCO)Cc2ccc(C)cc2)cnn1C ZINC000903902603 592371403 /nfs/dbraw/zinc/37/14/03/592371403.db2.gz KHYQPMOCWPLLIS-GOSISDBHSA-N 2 1 330.476 1.649 20 0 EDADMP COc1ccc2c(c1)CC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)CC2 ZINC000903903407 592372086 /nfs/dbraw/zinc/37/20/86/592372086.db2.gz IZRPWQHMRAFFGZ-INIZCTEOSA-N 2 1 342.487 1.955 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000903909669 592374523 /nfs/dbraw/zinc/37/45/23/592374523.db2.gz WRYPGYQYERWNBJ-SJORKVTESA-N 2 1 326.448 1.662 20 0 EDADMP C[NH+](C)[C@@H](CNCc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903926331 592381170 /nfs/dbraw/zinc/38/11/70/592381170.db2.gz KVILZDBRNPTAHB-AEFFLSMTSA-N 2 1 328.464 1.595 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cnn1C ZINC000903931169 592383649 /nfs/dbraw/zinc/38/36/49/592383649.db2.gz ADDCQGNPKMQVDY-LULLPPNCSA-N 3 1 349.523 1.207 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cnn1C ZINC000903937996 592387194 /nfs/dbraw/zinc/38/71/94/592387194.db2.gz XEFVALILSMJUSB-RDJZCZTQSA-N 3 1 342.491 1.452 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cnn1C ZINC000903937996 592387198 /nfs/dbraw/zinc/38/71/98/592387198.db2.gz XEFVALILSMJUSB-RDJZCZTQSA-N 3 1 342.491 1.452 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2c2ccnn2C)cnn1C ZINC000903916579 592389597 /nfs/dbraw/zinc/38/95/97/592389597.db2.gz HYXSKVALRVNWCJ-CRAIPNDOSA-N 2 1 330.480 1.807 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC[C@@H]2c2ccnn2C)cnn1C ZINC000903916579 592389601 /nfs/dbraw/zinc/38/96/01/592389601.db2.gz HYXSKVALRVNWCJ-CRAIPNDOSA-N 2 1 330.480 1.807 20 0 EDADMP Cc1cc([C@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000903917943 592390323 /nfs/dbraw/zinc/39/03/23/592390323.db2.gz PCIRFOUXMNSRBH-GJZGRUSLSA-N 2 1 329.452 1.614 20 0 EDADMP Cc1cc([C@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000903917943 592390332 /nfs/dbraw/zinc/39/03/32/592390332.db2.gz PCIRFOUXMNSRBH-GJZGRUSLSA-N 2 1 329.452 1.614 20 0 EDADMP Cc1cc([C@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000903917943 592390338 /nfs/dbraw/zinc/39/03/38/592390338.db2.gz PCIRFOUXMNSRBH-GJZGRUSLSA-N 2 1 329.452 1.614 20 0 EDADMP c1[nH]nc2cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)ccc12 ZINC000903980487 592400138 /nfs/dbraw/zinc/40/01/38/592400138.db2.gz SVDOHQFPTLUODO-HDICACEKSA-N 2 1 325.460 1.964 20 0 EDADMP c1[nH]nc2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)ccc12 ZINC000903980487 592400141 /nfs/dbraw/zinc/40/01/41/592400141.db2.gz SVDOHQFPTLUODO-HDICACEKSA-N 2 1 325.460 1.964 20 0 EDADMP c1[nH]nc2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)ccc12 ZINC000903980487 592400145 /nfs/dbraw/zinc/40/01/45/592400145.db2.gz SVDOHQFPTLUODO-HDICACEKSA-N 2 1 325.460 1.964 20 0 EDADMP CCOC(=O)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)o1 ZINC000903980740 592401480 /nfs/dbraw/zinc/40/14/80/592401480.db2.gz YZDZYBAHMYEFMX-IYBDPMFKSA-N 2 1 347.459 1.857 20 0 EDADMP CSC1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC[NH+](C)CC1 ZINC000908286675 592425813 /nfs/dbraw/zinc/42/58/13/592425813.db2.gz YHSQDWUMEOOMHD-GJZGRUSLSA-N 2 1 325.522 1.947 20 0 EDADMP COc1ccc(C[NH+](C)C)cc1NC(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC000904292282 592466741 /nfs/dbraw/zinc/46/67/41/592466741.db2.gz LPULZMSFBWVEFI-UHFFFAOYSA-N 2 1 344.419 1.701 20 0 EDADMP [NH3+]C[C@H]1C[C@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000904307835 592473853 /nfs/dbraw/zinc/47/38/53/592473853.db2.gz XFHAUDHSYFZUJM-JCNLHEQBSA-N 2 1 332.448 1.420 20 0 EDADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)C2 ZINC000905504871 592546861 /nfs/dbraw/zinc/54/68/61/592546861.db2.gz ZMEVAMMKEDYPQF-MFKWGIFDSA-N 2 1 332.488 1.659 20 0 EDADMP CCOC(=O)[C@@H]1CCCN(CC(=O)NCC[N@@H+]2CC=C(C)CC2)C1 ZINC000907385302 592620541 /nfs/dbraw/zinc/62/05/41/592620541.db2.gz GNTXHDHRXJUNRC-MRXNPFEDSA-N 2 1 337.464 1.030 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)cc1F ZINC000905917598 592681722 /nfs/dbraw/zinc/68/17/22/592681722.db2.gz DAPDLLAOCDGNGC-MAUKXSAKSA-N 2 1 349.406 1.312 20 0 EDADMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)[C@@H](C)C1 ZINC000907515749 592698472 /nfs/dbraw/zinc/69/84/72/592698472.db2.gz DCIKTAJIBIPCQB-GJZGRUSLSA-N 2 1 344.459 1.818 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)[C@@H](C)C1 ZINC000907515749 592698475 /nfs/dbraw/zinc/69/84/75/592698475.db2.gz DCIKTAJIBIPCQB-GJZGRUSLSA-N 2 1 344.459 1.818 20 0 EDADMP CC[NH+](CC)Cc1cccc(NC(=O)C2CN(C)CC[N@@H+](C)C2)c1 ZINC000906066739 592735705 /nfs/dbraw/zinc/73/57/05/592735705.db2.gz NNMOXGPFOSOYTG-UHFFFAOYSA-N 2 1 332.492 1.960 20 0 EDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906206619 592758630 /nfs/dbraw/zinc/75/86/30/592758630.db2.gz DTHNNUBKRYXAKC-CALCHBBNSA-N 2 1 338.540 1.354 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906206619 592758633 /nfs/dbraw/zinc/75/86/33/592758633.db2.gz DTHNNUBKRYXAKC-CALCHBBNSA-N 2 1 338.540 1.354 20 0 EDADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906206619 592758637 /nfs/dbraw/zinc/75/86/37/592758637.db2.gz DTHNNUBKRYXAKC-CALCHBBNSA-N 2 1 338.540 1.354 20 0 EDADMP CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)[C@H](C)C1 ZINC000910283987 592820986 /nfs/dbraw/zinc/82/09/86/592820986.db2.gz YMEXLQHZUJQPIG-AEFFLSMTSA-N 2 1 330.476 1.989 20 0 EDADMP CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)[C@H](C)C1 ZINC000910283987 592820988 /nfs/dbraw/zinc/82/09/88/592820988.db2.gz YMEXLQHZUJQPIG-AEFFLSMTSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)[C@H](C)C1 ZINC000910283987 592820990 /nfs/dbraw/zinc/82/09/90/592820990.db2.gz YMEXLQHZUJQPIG-AEFFLSMTSA-N 2 1 330.476 1.989 20 0 EDADMP CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)[C@H](C)C1 ZINC000910283987 592820991 /nfs/dbraw/zinc/82/09/91/592820991.db2.gz YMEXLQHZUJQPIG-AEFFLSMTSA-N 2 1 330.476 1.989 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000907878555 592826522 /nfs/dbraw/zinc/82/65/22/592826522.db2.gz SUBLPEYDIAOKIA-DMUMMCEESA-N 2 1 343.471 1.032 20 0 EDADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000907878555 592826523 /nfs/dbraw/zinc/82/65/23/592826523.db2.gz SUBLPEYDIAOKIA-DMUMMCEESA-N 2 1 343.471 1.032 20 0 EDADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000907878555 592826525 /nfs/dbraw/zinc/82/65/25/592826525.db2.gz SUBLPEYDIAOKIA-DMUMMCEESA-N 2 1 343.471 1.032 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[NH+](C)C[C@@H]2CC)C1 ZINC000907927750 592848319 /nfs/dbraw/zinc/84/83/19/592848319.db2.gz YKSUHMBLVCXMJJ-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[NH+](C)C[C@@H]2CC)C1 ZINC000907927750 592848320 /nfs/dbraw/zinc/84/83/20/592848320.db2.gz YKSUHMBLVCXMJJ-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CCC[N@H+](C)C[C@@H]2CC)C1 ZINC000907927750 592848323 /nfs/dbraw/zinc/84/83/23/592848323.db2.gz YKSUHMBLVCXMJJ-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CCC[N@@H+](C)C[C@@H]2CC)C1 ZINC000907927750 592848325 /nfs/dbraw/zinc/84/83/25/592848325.db2.gz YKSUHMBLVCXMJJ-CVEARBPZSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[NH+](C)C[C@H]2CC)C1 ZINC000907927753 592848935 /nfs/dbraw/zinc/84/89/35/592848935.db2.gz YKSUHMBLVCXMJJ-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[NH+](C)C[C@H]2CC)C1 ZINC000907927753 592848937 /nfs/dbraw/zinc/84/89/37/592848937.db2.gz YKSUHMBLVCXMJJ-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CCC[N@H+](C)C[C@H]2CC)C1 ZINC000907927753 592848939 /nfs/dbraw/zinc/84/89/39/592848939.db2.gz YKSUHMBLVCXMJJ-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CCC[N@@H+](C)C[C@H]2CC)C1 ZINC000907927753 592848941 /nfs/dbraw/zinc/84/89/41/592848941.db2.gz YKSUHMBLVCXMJJ-JKSUJKDBSA-N 2 1 339.480 1.204 20 0 EDADMP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)CN2C)CCN1Cc1ccccc1 ZINC000910448818 592865601 /nfs/dbraw/zinc/86/56/01/592865601.db2.gz JVLAZECXYXTYLR-AYBZRNKSSA-N 2 1 331.460 1.174 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911054941 592911338 /nfs/dbraw/zinc/91/13/38/592911338.db2.gz LMALPYPFXSWZTD-HZPDHXFCSA-N 2 1 338.496 1.016 20 0 EDADMP CCOC(=O)CC(C)(C)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000838830053 593220535 /nfs/dbraw/zinc/22/05/35/593220535.db2.gz RAZAPDRYYTWSFA-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP CCOC(=O)CC(C)(C)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000838830053 593220537 /nfs/dbraw/zinc/22/05/37/593220537.db2.gz RAZAPDRYYTWSFA-MRXNPFEDSA-N 2 1 325.497 1.678 20 0 EDADMP CC[C@H]1CCC[N@H+]1CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000839986603 593294468 /nfs/dbraw/zinc/29/44/68/593294468.db2.gz DXEYWFVNDTXSBN-OKZBNKHCSA-N 2 1 341.455 1.935 20 0 EDADMP CC[C@H]1CCC[NH+]1CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000839986603 593294470 /nfs/dbraw/zinc/29/44/70/593294470.db2.gz DXEYWFVNDTXSBN-OKZBNKHCSA-N 2 1 341.455 1.935 20 0 EDADMP CC[C@H]1CCC[NH+]1CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000839986603 593294471 /nfs/dbraw/zinc/29/44/71/593294471.db2.gz DXEYWFVNDTXSBN-OKZBNKHCSA-N 2 1 341.455 1.935 20 0 EDADMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O ZINC000839992835 593304485 /nfs/dbraw/zinc/30/44/85/593304485.db2.gz YHVRQORDWCFCJC-DRMAHVMPSA-N 2 1 333.476 1.639 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O ZINC000839992835 593304487 /nfs/dbraw/zinc/30/44/87/593304487.db2.gz YHVRQORDWCFCJC-DRMAHVMPSA-N 2 1 333.476 1.639 20 0 EDADMP C[NH+](C)CCOC1CC[NH+](Cc2cnc(C3OCCO3)s2)CC1 ZINC000809573440 593346690 /nfs/dbraw/zinc/34/66/90/593346690.db2.gz LOSNGGHVDXETSH-UHFFFAOYSA-N 2 1 341.477 1.731 20 0 EDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839727497 593374787 /nfs/dbraw/zinc/37/47/87/593374787.db2.gz FNMBNSZECXDCGW-ZBFHGGJFSA-N 2 1 325.522 1.804 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000811875064 593484930 /nfs/dbraw/zinc/48/49/30/593484930.db2.gz JONLRUPRGCAEEV-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000811875064 593484931 /nfs/dbraw/zinc/48/49/31/593484931.db2.gz JONLRUPRGCAEEV-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000811875064 593484932 /nfs/dbraw/zinc/48/49/32/593484932.db2.gz JONLRUPRGCAEEV-XHSDSOJGSA-N 2 1 326.485 1.269 20 0 EDADMP NS(=O)(=O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000813370979 593529966 /nfs/dbraw/zinc/52/99/66/593529966.db2.gz MXAGYYBWRGPLIF-UHFFFAOYSA-N 2 1 337.489 1.263 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000818963131 593730624 /nfs/dbraw/zinc/73/06/24/593730624.db2.gz HUALFKJGRHJJBI-ILXRZTDVSA-N 2 1 327.469 1.479 20 0 EDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000818979482 593731981 /nfs/dbraw/zinc/73/19/81/593731981.db2.gz NYFOPXDTAHXPOH-JKSUJKDBSA-N 2 1 341.496 1.821 20 0 EDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000818979482 593731982 /nfs/dbraw/zinc/73/19/82/593731982.db2.gz NYFOPXDTAHXPOH-JKSUJKDBSA-N 2 1 341.496 1.821 20 0 EDADMP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)COCc1ccccc1 ZINC000819060412 593736582 /nfs/dbraw/zinc/73/65/82/593736582.db2.gz HRJGQVXKIQYDET-WOJBJXKFSA-N 2 1 348.487 1.797 20 0 EDADMP C[N@@H+](C[C@@H](O)CNc1cccc2c1CC[NH+](CC(C)(C)O)C2)C1CC1 ZINC000819469091 593755953 /nfs/dbraw/zinc/75/59/53/593755953.db2.gz XIXUCIPAXLVCNR-KRWDZBQOSA-N 2 1 347.503 1.683 20 0 EDADMP C[NH+](C[C@@H](O)CNc1cccc2c1CC[N@H+](CC(C)(C)O)C2)C1CC1 ZINC000819469091 593755954 /nfs/dbraw/zinc/75/59/54/593755954.db2.gz XIXUCIPAXLVCNR-KRWDZBQOSA-N 2 1 347.503 1.683 20 0 EDADMP C[NH+](C[C@@H](O)CNc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)C1CC1 ZINC000819469091 593755955 /nfs/dbraw/zinc/75/59/55/593755955.db2.gz XIXUCIPAXLVCNR-KRWDZBQOSA-N 2 1 347.503 1.683 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000819637287 593762045 /nfs/dbraw/zinc/76/20/45/593762045.db2.gz UKYYKLBITYWOCB-GOSISDBHSA-N 2 1 343.487 1.768 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000819637287 593762046 /nfs/dbraw/zinc/76/20/46/593762046.db2.gz UKYYKLBITYWOCB-GOSISDBHSA-N 2 1 343.487 1.768 20 0 EDADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1-c1nn[nH]n1 ZINC000821808360 593944949 /nfs/dbraw/zinc/94/49/49/593944949.db2.gz FKTDSTYZLKSTEK-CYBMUJFWSA-N 2 1 328.420 1.449 20 0 EDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821252686 593997431 /nfs/dbraw/zinc/99/74/31/593997431.db2.gz AZKVGMZQWJAISA-XOKHGSTOSA-N 2 1 344.463 1.562 20 0 EDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821252686 593997434 /nfs/dbraw/zinc/99/74/34/593997434.db2.gz AZKVGMZQWJAISA-XOKHGSTOSA-N 2 1 344.463 1.562 20 0 EDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821252686 593997436 /nfs/dbraw/zinc/99/74/36/593997436.db2.gz AZKVGMZQWJAISA-XOKHGSTOSA-N 2 1 344.463 1.562 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000821391310 594035620 /nfs/dbraw/zinc/03/56/20/594035620.db2.gz JILGENVNXDFUDY-MRXNPFEDSA-N 2 1 343.512 1.924 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000821391310 594035622 /nfs/dbraw/zinc/03/56/22/594035622.db2.gz JILGENVNXDFUDY-MRXNPFEDSA-N 2 1 343.512 1.924 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000824942559 594101754 /nfs/dbraw/zinc/10/17/54/594101754.db2.gz XAHPVYAWRSKMSB-RBUKOAKNSA-N 2 1 345.487 1.742 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000824942559 594101755 /nfs/dbraw/zinc/10/17/55/594101755.db2.gz XAHPVYAWRSKMSB-RBUKOAKNSA-N 2 1 345.487 1.742 20 0 EDADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000824942559 594101756 /nfs/dbraw/zinc/10/17/56/594101756.db2.gz XAHPVYAWRSKMSB-RBUKOAKNSA-N 2 1 345.487 1.742 20 0 EDADMP COC[C@H](C)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826149005 594347876 /nfs/dbraw/zinc/34/78/76/594347876.db2.gz WUXRZZILOWTCHM-CQSZACIVSA-N 2 1 344.463 1.703 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)CC[C@@H]21 ZINC000827340355 594662758 /nfs/dbraw/zinc/66/27/58/594662758.db2.gz ZJCPETOCEFRRJD-QRVBRYPASA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)CC[C@@H]21 ZINC000827340355 594662759 /nfs/dbraw/zinc/66/27/59/594662759.db2.gz ZJCPETOCEFRRJD-QRVBRYPASA-N 2 1 342.487 1.846 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)CC[C@@H]21 ZINC000827340355 594662760 /nfs/dbraw/zinc/66/27/60/594662760.db2.gz ZJCPETOCEFRRJD-QRVBRYPASA-N 2 1 342.487 1.846 20 0 EDADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000827409662 594669253 /nfs/dbraw/zinc/66/92/53/594669253.db2.gz MMOJTBJODXSYTB-KRWDZBQOSA-N 2 1 341.377 1.747 20 0 EDADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)C1 ZINC000841006535 594838259 /nfs/dbraw/zinc/83/82/59/594838259.db2.gz FJFGLWPIMPSBQZ-POAQFYNOSA-N 2 1 345.487 1.772 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841648710 594930942 /nfs/dbraw/zinc/93/09/42/594930942.db2.gz UHLLHCLSPWGXGO-GOSISDBHSA-N 2 1 348.491 1.344 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccc(CC[NH3+])cc2)C[C@H](C)O1 ZINC000841676595 594934754 /nfs/dbraw/zinc/93/47/54/594934754.db2.gz XJXXRDTZDLFPPO-IYBDPMFKSA-N 2 1 348.491 1.486 20 0 EDADMP CCCC[C@H](C[NH3+])NC(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000841726145 594944158 /nfs/dbraw/zinc/94/41/58/594944158.db2.gz GSWWUUDCLMORKD-OAHLLOKOSA-N 2 1 330.436 1.892 20 0 EDADMP C[NH+]1CCN(c2ccc(-c3noc(C4(C[NH3+])CCCC4)n3)cn2)CC1 ZINC000843197613 595030242 /nfs/dbraw/zinc/03/02/42/595030242.db2.gz GHNHRQSDBRYRTB-UHFFFAOYSA-N 2 1 342.447 1.654 20 0 EDADMP CC[NH+]1CCN(c2ccc(-c3noc(COCC[NH3+])n3)cc2F)CC1 ZINC000843205847 595033727 /nfs/dbraw/zinc/03/37/27/595033727.db2.gz SIQAIFWGZBRRBX-UHFFFAOYSA-N 2 1 349.410 1.493 20 0 EDADMP COc1cccc2cc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)oc21 ZINC000843047961 595273750 /nfs/dbraw/zinc/27/37/50/595273750.db2.gz FAFVKHMEQUCOKZ-AWEZNQCLSA-N 2 1 331.416 1.728 20 0 EDADMP O[C@@H](C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000843061997 595276911 /nfs/dbraw/zinc/27/69/11/595276911.db2.gz KBKVWSBKMFHENK-LSDHHAIUSA-N 2 1 332.366 1.785 20 0 EDADMP NC(=O)COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000843125928 595292901 /nfs/dbraw/zinc/29/29/01/595292901.db2.gz CQGXDDARQLDTHB-IRXDYDNUSA-N 2 1 331.460 1.762 20 0 EDADMP CC[NH2+]CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000844185729 595295883 /nfs/dbraw/zinc/29/58/83/595295883.db2.gz PLMGZFSLYPRPSU-MRXNPFEDSA-N 2 1 332.448 1.401 20 0 EDADMP CN(C)c1ccc(N2CCC(NC(=O)CC(F)(F)C[NH3+])CC2)cc1 ZINC000846673582 595298237 /nfs/dbraw/zinc/29/82/37/595298237.db2.gz CMHRPJGRPBUKAS-UHFFFAOYSA-N 2 1 340.418 1.822 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)CO[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844192454 595298617 /nfs/dbraw/zinc/29/86/17/595298617.db2.gz SHYXRVSDRZWBGF-GOSISDBHSA-N 2 1 346.475 1.141 20 0 EDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846708890 595304982 /nfs/dbraw/zinc/30/49/82/595304982.db2.gz XLGUHUMVWXOFIU-CVEARBPZSA-N 2 1 346.475 1.663 20 0 EDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000846920130 595337360 /nfs/dbraw/zinc/33/73/60/595337360.db2.gz UNJPABWHZNDEDD-MSOLQXFVSA-N 2 1 339.480 1.386 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000846920130 595337362 /nfs/dbraw/zinc/33/73/62/595337362.db2.gz UNJPABWHZNDEDD-MSOLQXFVSA-N 2 1 339.480 1.386 20 0 EDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000846920130 595337365 /nfs/dbraw/zinc/33/73/65/595337365.db2.gz UNJPABWHZNDEDD-MSOLQXFVSA-N 2 1 339.480 1.386 20 0 EDADMP COc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000848518389 595401982 /nfs/dbraw/zinc/40/19/82/595401982.db2.gz KHGSJKHEBCECFK-MOPGFXCFSA-N 2 1 334.460 1.962 20 0 EDADMP CN1C(=O)CCc2cc(C[NH2+]C3(CCO)CC[NH+](C)CC3)ccc21 ZINC000848557457 595405216 /nfs/dbraw/zinc/40/52/16/595405216.db2.gz DYQHGCSCBOHWHZ-UHFFFAOYSA-N 2 1 331.460 1.532 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cn(C)nc3C)CC2)CC1 ZINC000847517454 595438924 /nfs/dbraw/zinc/43/89/24/595438924.db2.gz BIZLMENTCXOKIM-UHFFFAOYSA-N 2 1 333.480 1.863 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000849072913 595478275 /nfs/dbraw/zinc/47/82/75/595478275.db2.gz QLUOXADZAIRGBY-MRXNPFEDSA-N 2 1 343.475 1.699 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@H]1COc2ccccc2O1 ZINC000849096566 595481469 /nfs/dbraw/zinc/48/14/69/595481469.db2.gz VSNYQHYBFRIECQ-CABCVRRESA-N 2 1 332.448 1.815 20 0 EDADMP CC[NH+](CC)CCCNC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849485919 595548006 /nfs/dbraw/zinc/54/80/06/595548006.db2.gz YXEJOLZWKSLLSI-IRXDYDNUSA-N 2 1 335.496 1.304 20 0 EDADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849541160 595561207 /nfs/dbraw/zinc/56/12/07/595561207.db2.gz LGWGVQRURRQOHI-ZWKOTPCHSA-N 2 1 349.523 1.690 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849541160 595561210 /nfs/dbraw/zinc/56/12/10/595561210.db2.gz LGWGVQRURRQOHI-ZWKOTPCHSA-N 2 1 349.523 1.690 20 0 EDADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849541160 595561212 /nfs/dbraw/zinc/56/12/12/595561212.db2.gz LGWGVQRURRQOHI-ZWKOTPCHSA-N 2 1 349.523 1.690 20 0 EDADMP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c1 ZINC000849571766 595574727 /nfs/dbraw/zinc/57/47/27/595574727.db2.gz IHWNWVJTQYLIJU-CVEARBPZSA-N 2 1 342.447 1.555 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC[N@@H+]1C ZINC000849571404 595575480 /nfs/dbraw/zinc/57/54/80/595575480.db2.gz IMUGVZKWIGQBSW-YALNPMBYSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC[NH+]1C ZINC000849571404 595575482 /nfs/dbraw/zinc/57/54/82/595575482.db2.gz IMUGVZKWIGQBSW-YALNPMBYSA-N 2 1 333.480 1.006 20 0 EDADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC[NH+]1C ZINC000849571404 595575483 /nfs/dbraw/zinc/57/54/83/595575483.db2.gz IMUGVZKWIGQBSW-YALNPMBYSA-N 2 1 333.480 1.006 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849582072 595581821 /nfs/dbraw/zinc/58/18/21/595581821.db2.gz KOIMCJVTTYGMQX-SJORKVTESA-N 2 1 335.496 1.256 20 0 EDADMP O=C(NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000852862326 595582778 /nfs/dbraw/zinc/58/27/78/595582778.db2.gz ZZFGPLRTLUUGIU-LJQANCHMSA-N 2 1 346.450 1.159 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](C(=O)NC[C@@H](C)C[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849598341 595588098 /nfs/dbraw/zinc/58/80/98/595588098.db2.gz ZQBXXIKKNGSHFU-NXHRZFHOSA-N 2 1 349.523 1.548 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852870529 595590295 /nfs/dbraw/zinc/59/02/95/595590295.db2.gz DGWXDCIJHKGPDA-FVQBIDKESA-N 2 1 330.432 1.117 20 0 EDADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853110215 595667109 /nfs/dbraw/zinc/66/71/09/595667109.db2.gz XDGZQWSHJVCEDV-AZUAARDMSA-N 2 1 341.455 1.862 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000855346327 595680767 /nfs/dbraw/zinc/68/07/67/595680767.db2.gz WZKPZFNFNPJDRE-MAUKXSAKSA-N 2 1 346.475 1.568 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000855346327 595680769 /nfs/dbraw/zinc/68/07/69/595680769.db2.gz WZKPZFNFNPJDRE-MAUKXSAKSA-N 2 1 346.475 1.568 20 0 EDADMP C[NH+](C)CC1CCN(c2ccc(Nc3nc(N)[nH+]c(N)n3)cc2)CC1 ZINC000858418306 595790055 /nfs/dbraw/zinc/79/00/55/595790055.db2.gz POVNKJCWRCOVCA-UHFFFAOYSA-N 2 1 342.451 1.558 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H](C3CCC3)C1)C2=O ZINC000853589758 595817447 /nfs/dbraw/zinc/81/74/47/595817447.db2.gz ONNLCSFSHQVLOW-OAHLLOKOSA-N 2 1 334.464 1.472 20 0 EDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H](C3CCC3)C1)C2=O ZINC000853589756 595817509 /nfs/dbraw/zinc/81/75/09/595817509.db2.gz ONNLCSFSHQVLOW-HNNXBMFYSA-N 2 1 334.464 1.472 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CCn2cnc(Br)n2)C1 ZINC000851796164 595927088 /nfs/dbraw/zinc/92/70/88/595927088.db2.gz WLKNEARHOZMEBY-ZDUSSCGKSA-N 2 1 342.285 1.704 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000856280680 595941262 /nfs/dbraw/zinc/94/12/62/595941262.db2.gz BESQISRPWKEKGX-DLBZAZTESA-N 2 1 349.523 1.692 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000856280680 595941265 /nfs/dbraw/zinc/94/12/65/595941265.db2.gz BESQISRPWKEKGX-DLBZAZTESA-N 2 1 349.523 1.692 20 0 EDADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000856280680 595941267 /nfs/dbraw/zinc/94/12/67/595941267.db2.gz BESQISRPWKEKGX-DLBZAZTESA-N 2 1 349.523 1.692 20 0 EDADMP COC(=O)c1nc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1Cl ZINC000854221568 596006390 /nfs/dbraw/zinc/00/63/90/596006390.db2.gz PJJCFBHFLQLYCT-UFGOTCBOSA-N 2 1 327.812 1.364 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC(=O)N(C)C)C2)ccn1 ZINC000856597851 596029160 /nfs/dbraw/zinc/02/91/60/596029160.db2.gz CJGFALNZWLPJRH-SFHVURJKSA-N 2 1 348.491 1.853 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC(=O)N(C)C)C2)ccn1 ZINC000856597851 596029166 /nfs/dbraw/zinc/02/91/66/596029166.db2.gz CJGFALNZWLPJRH-SFHVURJKSA-N 2 1 348.491 1.853 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC(=O)N(C)C)C2)ccn1 ZINC000856597851 596029169 /nfs/dbraw/zinc/02/91/69/596029169.db2.gz CJGFALNZWLPJRH-SFHVURJKSA-N 2 1 348.491 1.853 20 0 EDADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3(CO)COC3)C2)ccn1 ZINC000856599937 596030410 /nfs/dbraw/zinc/03/04/10/596030410.db2.gz PDEYFYKFOONDDE-SFHVURJKSA-N 2 1 349.475 1.384 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3(CO)COC3)C2)ccn1 ZINC000856599937 596030415 /nfs/dbraw/zinc/03/04/15/596030415.db2.gz PDEYFYKFOONDDE-SFHVURJKSA-N 2 1 349.475 1.384 20 0 EDADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3(CO)COC3)C2)ccn1 ZINC000856599937 596030420 /nfs/dbraw/zinc/03/04/20/596030420.db2.gz PDEYFYKFOONDDE-SFHVURJKSA-N 2 1 349.475 1.384 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC000861564853 596031279 /nfs/dbraw/zinc/03/12/79/596031279.db2.gz RDQHPUZRRZXVSA-SWLSCSKDSA-N 2 1 328.420 1.515 20 0 EDADMP CCOP(=O)(OCC)[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852107880 596046608 /nfs/dbraw/zinc/04/66/08/596046608.db2.gz QEMYLGFNZCCLHM-LSDHHAIUSA-N 2 1 334.397 1.989 20 0 EDADMP CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000852107880 596046612 /nfs/dbraw/zinc/04/66/12/596046612.db2.gz QEMYLGFNZCCLHM-LSDHHAIUSA-N 2 1 334.397 1.989 20 0 EDADMP CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000852107880 596046616 /nfs/dbraw/zinc/04/66/16/596046616.db2.gz QEMYLGFNZCCLHM-LSDHHAIUSA-N 2 1 334.397 1.989 20 0 EDADMP Cc1[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C)c1C=O ZINC000859332472 596053557 /nfs/dbraw/zinc/05/35/57/596053557.db2.gz AVGFKACGMUYSJX-MRXNPFEDSA-N 2 1 346.475 1.685 20 0 EDADMP Cc1[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C)c1C=O ZINC000859332472 596053561 /nfs/dbraw/zinc/05/35/61/596053561.db2.gz AVGFKACGMUYSJX-MRXNPFEDSA-N 2 1 346.475 1.685 20 0 EDADMP Cc1[nH+]ccn1CC[NH2+]C1(CO)CCN(C(=O)OC(C)(C)C)CC1 ZINC000852174153 596070858 /nfs/dbraw/zinc/07/08/58/596070858.db2.gz UPOODDQRBCWKGR-UHFFFAOYSA-N 2 1 338.452 1.543 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857119238 596162636 /nfs/dbraw/zinc/16/26/36/596162636.db2.gz KJVJEORZRUUPOT-LPHOPBHVSA-N 2 1 345.487 1.634 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857119238 596162638 /nfs/dbraw/zinc/16/26/38/596162638.db2.gz KJVJEORZRUUPOT-LPHOPBHVSA-N 2 1 345.487 1.634 20 0 EDADMP CC(C)COC(=O)N1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000852750336 596237851 /nfs/dbraw/zinc/23/78/51/596237851.db2.gz QLCPXLCIGVTAOU-OAHLLOKOSA-N 2 1 325.453 1.308 20 0 EDADMP Cc1ccc2nc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn2c1 ZINC000862166240 596258105 /nfs/dbraw/zinc/25/81/05/596258105.db2.gz CAILJSWMUMOSSL-HNNXBMFYSA-N 2 1 331.464 1.645 20 0 EDADMP Cc1ccc2nc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn2c1 ZINC000862166240 596258108 /nfs/dbraw/zinc/25/81/08/596258108.db2.gz CAILJSWMUMOSSL-HNNXBMFYSA-N 2 1 331.464 1.645 20 0 EDADMP Cc1cccnc1NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000866666679 596285573 /nfs/dbraw/zinc/28/55/73/596285573.db2.gz UTJZMCPLGMENSP-RDJZCZTQSA-N 2 1 332.448 1.547 20 0 EDADMP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709867 596303765 /nfs/dbraw/zinc/30/37/65/596303765.db2.gz MJHBGEZIZUXHEP-SPGJAERMSA-N 2 1 337.370 1.893 20 0 EDADMP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709867 596303767 /nfs/dbraw/zinc/30/37/67/596303767.db2.gz MJHBGEZIZUXHEP-SPGJAERMSA-N 2 1 337.370 1.893 20 0 EDADMP CO[C@@H](C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000866712266 596305108 /nfs/dbraw/zinc/30/51/08/596305108.db2.gz SBMBPJJQEQXMLL-YVSFHVDLSA-N 2 1 337.464 1.449 20 0 EDADMP C[NH+](C)CCOc1ccc(/C=C/C(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000862725309 596396637 /nfs/dbraw/zinc/39/66/37/596396637.db2.gz KVVBPNPFSWRMNR-VGMNTSGFSA-N 2 1 331.460 1.851 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=S)NCC[NH+](C)C)cc1 ZINC000863216279 596521391 /nfs/dbraw/zinc/52/13/91/596521391.db2.gz SMUISUFHRMUZAA-HNNXBMFYSA-N 2 1 336.505 1.295 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=S)NCC[NH+](C)C)cc1 ZINC000863216279 596521393 /nfs/dbraw/zinc/52/13/93/596521393.db2.gz SMUISUFHRMUZAA-HNNXBMFYSA-N 2 1 336.505 1.295 20 0 EDADMP Cn1ncc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)cnc21 ZINC000865497249 596591373 /nfs/dbraw/zinc/59/13/73/596591373.db2.gz ZLFMAOARPLQTRP-QZTJIDSGSA-N 2 1 343.475 1.826 20 0 EDADMP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000869763835 596622473 /nfs/dbraw/zinc/62/24/73/596622473.db2.gz IJTOIUMJFXZOKU-HNNXBMFYSA-N 2 1 343.537 1.241 20 0 EDADMP COCc1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)o1 ZINC000863643863 596642066 /nfs/dbraw/zinc/64/20/66/596642066.db2.gz ZONDGZHZJWIPCU-CVEARBPZSA-N 2 1 335.404 1.183 20 0 EDADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3C[C@H]3C3CCOCC3)cn2)CC1 ZINC000865785244 596682092 /nfs/dbraw/zinc/68/20/92/596682092.db2.gz PMQLNBLTKYNVRQ-ROUUACIJSA-N 2 1 345.491 1.381 20 0 EDADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000868184562 596714718 /nfs/dbraw/zinc/71/47/18/596714718.db2.gz ANDCRFZXBUQRJD-OKZBNKHCSA-N 2 1 346.475 1.860 20 0 EDADMP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)[C@H]1CCCOC1 ZINC000872036211 596798415 /nfs/dbraw/zinc/79/84/15/596798415.db2.gz TUNJPKHDAMRWCF-KSZLIROESA-N 2 1 325.497 1.188 20 0 EDADMP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CCSC1 ZINC000868356517 596798944 /nfs/dbraw/zinc/79/89/44/596798944.db2.gz ZBSLBBQVCWLBKX-IJEWVQPXSA-N 2 1 326.510 1.159 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155004 596815824 /nfs/dbraw/zinc/81/58/24/596815824.db2.gz JGKNIEVDTIVGQW-HOTGVXAUSA-N 2 1 349.475 1.782 20 0 EDADMP COc1ccc([C@@H]2C[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CCO2)cc1 ZINC000873221467 597231351 /nfs/dbraw/zinc/23/13/51/597231351.db2.gz KYCSCUYIVVANSI-QAPCUYQASA-N 2 1 347.459 1.266 20 0 EDADMP COc1ccc([C@@H]2C[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CCO2)cc1 ZINC000873221467 597231355 /nfs/dbraw/zinc/23/13/55/597231355.db2.gz KYCSCUYIVVANSI-QAPCUYQASA-N 2 1 347.459 1.266 20 0 EDADMP COCCOCC[N@@H+](C)CCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000876530240 597231597 /nfs/dbraw/zinc/23/15/97/597231597.db2.gz ROELLTIWIMBTBW-UHFFFAOYSA-N 2 1 349.475 1.409 20 0 EDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)CC[NH2+]1 ZINC000873226718 597233357 /nfs/dbraw/zinc/23/33/57/597233357.db2.gz ACIOPHLXACVQJX-DUQPFJRNSA-N 2 1 337.508 1.506 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccccc1OCC(=O)NCC1CC1)C2 ZINC000873228132 597234260 /nfs/dbraw/zinc/23/42/60/597234260.db2.gz AAFBIXTWUHGAIH-FXAWDEMLSA-N 2 1 343.471 1.633 20 0 EDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccccc1OCC(=O)NCC1CC1)C2 ZINC000873228132 597234264 /nfs/dbraw/zinc/23/42/64/597234264.db2.gz AAFBIXTWUHGAIH-FXAWDEMLSA-N 2 1 343.471 1.633 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccco1 ZINC000874995924 597236217 /nfs/dbraw/zinc/23/62/17/597236217.db2.gz WNWYNDKWMLJONN-UONOGXRCSA-N 2 1 338.452 1.027 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccco1 ZINC000874995924 597236218 /nfs/dbraw/zinc/23/62/18/597236218.db2.gz WNWYNDKWMLJONN-UONOGXRCSA-N 2 1 338.452 1.027 20 0 EDADMP C[N@H+]1CCN(C(=O)NCC(C)(C)N2CCOCC2)CCC1(C)C ZINC000874996039 597236373 /nfs/dbraw/zinc/23/63/73/597236373.db2.gz CQMLTRDJKJTQHZ-UHFFFAOYSA-N 2 1 326.485 1.223 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000875014079 597244070 /nfs/dbraw/zinc/24/40/70/597244070.db2.gz GVQCODJIRPKIOG-ZACQAIPSSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000875014079 597244071 /nfs/dbraw/zinc/24/40/71/597244071.db2.gz GVQCODJIRPKIOG-ZACQAIPSSA-N 2 1 338.496 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000875014079 597244073 /nfs/dbraw/zinc/24/40/73/597244073.db2.gz GVQCODJIRPKIOG-ZACQAIPSSA-N 2 1 338.496 1.079 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2c(C[NH3+])cnn2C)CC1 ZINC000876717728 597302238 /nfs/dbraw/zinc/30/22/38/597302238.db2.gz GJVVFVNXTRTFLR-UHFFFAOYSA-N 2 1 341.459 1.535 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@@H](C)C1 ZINC000876765219 597329424 /nfs/dbraw/zinc/32/94/24/597329424.db2.gz QIFOFTPYIAISMF-YHUYYLMFSA-N 2 1 325.497 1.613 20 0 EDADMP Cc1cc(N2CCC(NC(=O)[C@H]3C[C@@H]([NH3+])C3(C)C)CC2)nc(C)[nH+]1 ZINC000876775769 597335546 /nfs/dbraw/zinc/33/55/46/597335546.db2.gz GAAJZCAHAYYCCB-HUUCEWRRSA-N 2 1 331.464 1.552 20 0 EDADMP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876854265 597359986 /nfs/dbraw/zinc/35/99/86/597359986.db2.gz SRYWDKWRLDGNSI-LLVKDONJSA-N 2 1 330.404 1.289 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000876892315 597372617 /nfs/dbraw/zinc/37/26/17/597372617.db2.gz AXYYNBAJKFLAGF-PMPSAXMXSA-N 2 1 337.414 1.949 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000875308819 597379104 /nfs/dbraw/zinc/37/91/04/597379104.db2.gz NOMNRAPGHINKHI-MRXNPFEDSA-N 2 1 338.496 1.225 20 0 EDADMP [NH3+]C1(CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000876921300 597385903 /nfs/dbraw/zinc/38/59/03/597385903.db2.gz ASMFTWTWEWABJR-SJORKVTESA-N 2 1 348.466 1.044 20 0 EDADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CN1CC[NH2+]CC1 ZINC000877030353 597416366 /nfs/dbraw/zinc/41/63/66/597416366.db2.gz DSWAYTWRGGFVBJ-SJLPKXTDSA-N 2 1 328.460 1.035 20 0 EDADMP C[N@H+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CCC1(C)C ZINC000877206796 597461987 /nfs/dbraw/zinc/46/19/87/597461987.db2.gz QGHTYEPYYNLOKT-CQSZACIVSA-N 2 1 334.468 1.149 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000877229121 597469188 /nfs/dbraw/zinc/46/91/88/597469188.db2.gz HKAMNHXWKCLYPJ-YJBOKZPZSA-N 2 1 331.460 1.453 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000877229121 597469189 /nfs/dbraw/zinc/46/91/89/597469189.db2.gz HKAMNHXWKCLYPJ-YJBOKZPZSA-N 2 1 331.460 1.453 20 0 EDADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000877231985 597471254 /nfs/dbraw/zinc/47/12/54/597471254.db2.gz XOANWYGOFKMMAB-AEFFLSMTSA-N 2 1 335.423 1.014 20 0 EDADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000877231985 597471255 /nfs/dbraw/zinc/47/12/55/597471255.db2.gz XOANWYGOFKMMAB-AEFFLSMTSA-N 2 1 335.423 1.014 20 0 EDADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000877249757 597479423 /nfs/dbraw/zinc/47/94/23/597479423.db2.gz CSKBRPZUOPPZLT-JKSUJKDBSA-N 2 1 333.480 1.528 20 0 EDADMP COCC[N@H+](Cc1ccc2c(c1)NC(=O)CO2)CC1CC[NH+](C)CC1 ZINC000877664507 597546086 /nfs/dbraw/zinc/54/60/86/597546086.db2.gz QAPLCXXEYMYQPE-UHFFFAOYSA-N 2 1 347.459 1.808 20 0 EDADMP Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)NC1CC[NH+](C)CC1)CCC2 ZINC000878243915 597589550 /nfs/dbraw/zinc/58/95/50/597589550.db2.gz IJXQNWQNVAIEIC-OAHLLOKOSA-N 2 1 336.505 1.971 20 0 EDADMP Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)NC1CC[NH+](C)CC1)CCC2 ZINC000878243915 597589551 /nfs/dbraw/zinc/58/95/51/597589551.db2.gz IJXQNWQNVAIEIC-OAHLLOKOSA-N 2 1 336.505 1.971 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)C1 ZINC000881627132 597663399 /nfs/dbraw/zinc/66/33/99/597663399.db2.gz XNGCZWITYBSWEO-QGZVFWFLSA-N 2 1 337.508 1.964 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)C1 ZINC000881627132 597663402 /nfs/dbraw/zinc/66/34/02/597663402.db2.gz XNGCZWITYBSWEO-QGZVFWFLSA-N 2 1 337.508 1.964 20 0 EDADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000883142452 597665597 /nfs/dbraw/zinc/66/55/97/597665597.db2.gz JEOMJJTYKOOOKG-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000883142452 597665599 /nfs/dbraw/zinc/66/55/99/597665599.db2.gz JEOMJJTYKOOOKG-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000883142452 597665602 /nfs/dbraw/zinc/66/56/02/597665602.db2.gz JEOMJJTYKOOOKG-YJBOKZPZSA-N 2 1 330.476 1.827 20 0 EDADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](COC)[C@@H]2CCCOC2)CC1 ZINC000883172532 597676918 /nfs/dbraw/zinc/67/69/18/597676918.db2.gz KPDBUZYCPUTYMG-MSOLQXFVSA-N 2 1 327.513 1.435 20 0 EDADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883416740 597739326 /nfs/dbraw/zinc/73/93/26/597739326.db2.gz CRXGAGAEBGPJDZ-SQNIBIBYSA-N 2 1 331.460 1.694 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2CC)[C@@H](C)C1 ZINC000883420324 597740472 /nfs/dbraw/zinc/74/04/72/597740472.db2.gz IINRPFSPTBHKMJ-ULQDDVLXSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2CC)[C@@H](C)C1 ZINC000883420324 597740474 /nfs/dbraw/zinc/74/04/74/597740474.db2.gz IINRPFSPTBHKMJ-ULQDDVLXSA-N 2 1 340.512 1.517 20 0 EDADMP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2CC)[C@@H](C)C1 ZINC000883420324 597740476 /nfs/dbraw/zinc/74/04/76/597740476.db2.gz IINRPFSPTBHKMJ-ULQDDVLXSA-N 2 1 340.512 1.517 20 0 EDADMP O=C(CC[N@@H+]1CC[NH2+]CCC12CCC2)NC(=O)Nc1ccccc1 ZINC000883458632 597756535 /nfs/dbraw/zinc/75/65/35/597756535.db2.gz QYUVOFAKZYXFNC-UHFFFAOYSA-N 2 1 330.432 1.943 20 0 EDADMP O=C(CC[N@H+]1CC[NH2+]CCC12CCC2)NC(=O)Nc1ccccc1 ZINC000883458632 597756537 /nfs/dbraw/zinc/75/65/37/597756537.db2.gz QYUVOFAKZYXFNC-UHFFFAOYSA-N 2 1 330.432 1.943 20 0 EDADMP CN(C[C@H](O)C[N@H+](C)CCCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000879081174 597814863 /nfs/dbraw/zinc/81/48/63/597814863.db2.gz UZHZDEJUAJBNKN-OAHLLOKOSA-N 2 1 340.468 1.512 20 0 EDADMP CN(C[C@H](O)C[N@@H+](C)CCCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000879081174 597814864 /nfs/dbraw/zinc/81/48/64/597814864.db2.gz UZHZDEJUAJBNKN-OAHLLOKOSA-N 2 1 340.468 1.512 20 0 EDADMP C[C@@H]1C[N@@H+](CCc2nnnn2-c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880262405 597886903 /nfs/dbraw/zinc/88/69/03/597886903.db2.gz YWAOTFSCMANMBY-MRXNPFEDSA-N 2 1 349.442 1.811 20 0 EDADMP COc1cccc(C[NH+]2CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000879450823 597921346 /nfs/dbraw/zinc/92/13/46/597921346.db2.gz NZTHNUXRZLTRHX-SFHVURJKSA-N 2 1 333.476 1.270 20 0 EDADMP CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000880436278 597934010 /nfs/dbraw/zinc/93/40/10/597934010.db2.gz UEXQPOILRLGPGM-RTBURBONSA-N 2 1 334.460 1.755 20 0 EDADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000880436278 597934012 /nfs/dbraw/zinc/93/40/12/597934012.db2.gz UEXQPOILRLGPGM-RTBURBONSA-N 2 1 334.460 1.755 20 0 EDADMP O=S(=O)(CCn1ccnc1)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000882500094 597979148 /nfs/dbraw/zinc/97/91/48/597979148.db2.gz MRWHYINQLMLGQV-MRXNPFEDSA-N 2 1 340.493 1.600 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C ZINC000880664155 597990741 /nfs/dbraw/zinc/99/07/41/597990741.db2.gz MPIDGNOPYOSKJG-JKIFEVAISA-N 2 1 335.496 1.464 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C ZINC000880664155 597990743 /nfs/dbraw/zinc/99/07/43/597990743.db2.gz MPIDGNOPYOSKJG-JKIFEVAISA-N 2 1 335.496 1.464 20 0 EDADMP CC1(C)C[NH2+]C[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000884369615 598083764 /nfs/dbraw/zinc/08/37/64/598083764.db2.gz KCCKKDBDECUEDI-OKZBNKHCSA-N 2 1 327.472 1.965 20 0 EDADMP C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000130497459 598105092 /nfs/dbraw/zinc/10/50/92/598105092.db2.gz XFEZHQFRUFSFLG-GOEBONIOSA-N 2 1 345.447 1.423 20 0 EDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884517615 598126374 /nfs/dbraw/zinc/12/63/74/598126374.db2.gz SHXYZENSEVVKFU-RHSMWYFYSA-N 2 1 346.475 1.091 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000914205652 695276608 /nfs/dbraw/zinc/27/66/08/695276608.db2.gz WFDVYJPXWCGOTQ-HOTGVXAUSA-N 2 1 329.510 1.076 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)NC2C[NH+](CCC3CCCCC3)C2)cn1 ZINC001031083320 695488188 /nfs/dbraw/zinc/48/81/88/695488188.db2.gz FDJXWNVTYSULRY-UHFFFAOYSA-N 2 1 347.507 1.829 20 0 EDADMP CCOC1CC(C[NH+]2CC(NC(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001031104403 695527589 /nfs/dbraw/zinc/52/75/89/695527589.db2.gz RHHFURFXYBCTJA-UHFFFAOYSA-N 2 1 345.487 1.977 20 0 EDADMP CO[C@@H](C[NH+]1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1)C1CCC1 ZINC001031188339 695705951 /nfs/dbraw/zinc/70/59/51/695705951.db2.gz JBGQFJCIZFEMFS-SFHVURJKSA-N 2 1 337.508 1.722 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1CN(CC[C@H]2CCOC2)C1 ZINC001031234698 695929824 /nfs/dbraw/zinc/92/98/24/695929824.db2.gz GQKYSFZEEGILFQ-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001031234698 695929827 /nfs/dbraw/zinc/92/98/27/695929827.db2.gz GQKYSFZEEGILFQ-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001031234698 695929830 /nfs/dbraw/zinc/92/98/30/695929830.db2.gz GQKYSFZEEGILFQ-WMZOPIPTSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000993750673 696348345 /nfs/dbraw/zinc/34/83/45/696348345.db2.gz DLJSVQFWMDJSPI-WMLDXEAASA-N 2 1 333.480 1.231 20 0 EDADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1cnn(C)c1 ZINC000993750673 696348348 /nfs/dbraw/zinc/34/83/48/696348348.db2.gz DLJSVQFWMDJSPI-WMLDXEAASA-N 2 1 333.480 1.231 20 0 EDADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CCOC1CCC1 ZINC000993759666 696352554 /nfs/dbraw/zinc/35/25/54/696352554.db2.gz MCAGODVMRNSELA-CRAIPNDOSA-N 2 1 337.508 1.866 20 0 EDADMP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)on1 ZINC000993760795 696353381 /nfs/dbraw/zinc/35/33/81/696353381.db2.gz NRYXEOOOACGFLZ-WMLDXEAASA-N 2 1 334.464 1.794 20 0 EDADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)on1 ZINC000993760795 696353384 /nfs/dbraw/zinc/35/33/84/696353384.db2.gz NRYXEOOOACGFLZ-WMLDXEAASA-N 2 1 334.464 1.794 20 0 EDADMP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1CCc1ccnn1C ZINC000994252532 696648802 /nfs/dbraw/zinc/64/88/02/696648802.db2.gz MEPCHNYLNRGATK-DOTOQJQBSA-N 2 1 345.491 1.028 20 0 EDADMP CCCn1ncnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000940007992 700109514 /nfs/dbraw/zinc/10/95/14/700109514.db2.gz CTZCHWFFJZRHEY-HNNXBMFYSA-N 2 1 348.495 1.253 20 0 EDADMP C[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[N@@H+](C)C1CC1 ZINC000916851606 696793133 /nfs/dbraw/zinc/79/31/33/696793133.db2.gz RBXGYZYUTCCVNI-WMLDXEAASA-N 2 1 333.480 1.856 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000916841701 696796529 /nfs/dbraw/zinc/79/65/29/696796529.db2.gz HACYSCSZKFMKDI-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000916841701 696796532 /nfs/dbraw/zinc/79/65/32/696796532.db2.gz HACYSCSZKFMKDI-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP CC[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000916841701 696796535 /nfs/dbraw/zinc/79/65/35/696796535.db2.gz HACYSCSZKFMKDI-WBVHZDCISA-N 2 1 338.496 1.271 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000940008468 700110303 /nfs/dbraw/zinc/11/03/03/700110303.db2.gz ODOGJNWVCMYGFO-KRWDZBQOSA-N 2 1 345.491 1.394 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCc2ccnn2C)[C@@H]1C ZINC000994426151 696848370 /nfs/dbraw/zinc/84/83/70/696848370.db2.gz SXMFZSZFIXBPJZ-RHSMWYFYSA-N 2 1 344.463 1.137 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCc2ccnn2C)[C@@H]1C ZINC000994426151 696848371 /nfs/dbraw/zinc/84/83/71/696848371.db2.gz SXMFZSZFIXBPJZ-RHSMWYFYSA-N 2 1 344.463 1.137 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC3=CCCCC3)CC2)C1 ZINC000940024188 700122707 /nfs/dbraw/zinc/12/27/07/700122707.db2.gz DFYCULFNMXWTPW-KRWDZBQOSA-N 2 1 335.492 1.788 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC3=CCCCC3)CC2)C1 ZINC000940024188 700122710 /nfs/dbraw/zinc/12/27/10/700122710.db2.gz DFYCULFNMXWTPW-KRWDZBQOSA-N 2 1 335.492 1.788 20 0 EDADMP C[C@@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000918121595 697133817 /nfs/dbraw/zinc/13/38/17/697133817.db2.gz PAOXHKNIUTZGDT-IRXDYDNUSA-N 2 1 338.496 1.367 20 0 EDADMP C[N@H+]1CC[C@@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000918129242 697134691 /nfs/dbraw/zinc/13/46/91/697134691.db2.gz QJJYVIANQNGBEG-OAHLLOKOSA-N 2 1 340.537 1.741 20 0 EDADMP CCN1CCO[C@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)C1 ZINC000919127187 697246816 /nfs/dbraw/zinc/24/68/16/697246816.db2.gz OOIFHVPYMDAFAV-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CCN1CCO[C@H](CNC(=O)N2CCN(C)C[C@H]2CC(C)C)C1 ZINC000919127187 697246818 /nfs/dbraw/zinc/24/68/18/697246818.db2.gz OOIFHVPYMDAFAV-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP CCO[C@H](CNC(=O)NCC[N@H+]1CCCC[C@@H]1CC)C[NH+](C)C ZINC000919528618 697295203 /nfs/dbraw/zinc/29/52/03/697295203.db2.gz NFNZJFNFKHPNPF-JKSUJKDBSA-N 2 1 328.501 1.517 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@H]3CCCC(F)(F)C3)C2)C1 ZINC001031596126 697296262 /nfs/dbraw/zinc/29/62/62/697296262.db2.gz HAFVLSALRKOTDN-ZFWWWQNUSA-N 2 1 345.434 1.191 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@H]3CCCC(F)(F)C3)C2)C1 ZINC001031596126 697296264 /nfs/dbraw/zinc/29/62/64/697296264.db2.gz HAFVLSALRKOTDN-ZFWWWQNUSA-N 2 1 345.434 1.191 20 0 EDADMP C[C@@H]1[C@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000920266846 697417256 /nfs/dbraw/zinc/41/72/56/697417256.db2.gz XZWNUFCNDKEVFW-RHSMWYFYSA-N 2 1 330.476 1.477 20 0 EDADMP C[C@H]1C[NH+](C(C)(C)CNC(=S)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000920306571 697418870 /nfs/dbraw/zinc/41/88/70/697418870.db2.gz ALRJYZZJHJRFJN-KBPBESRZSA-N 2 1 342.553 1.433 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665919 697446711 /nfs/dbraw/zinc/44/67/11/697446711.db2.gz JBLFDWFNVKLOGD-SFHVURJKSA-N 2 1 330.476 1.811 20 0 EDADMP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031665919 697446714 /nfs/dbraw/zinc/44/67/14/697446714.db2.gz JBLFDWFNVKLOGD-SFHVURJKSA-N 2 1 330.476 1.811 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN([C@@H](C)c2cnccn2)C1 ZINC001031667042 697448172 /nfs/dbraw/zinc/44/81/72/697448172.db2.gz WJWDGDKUWLZPCX-WMLDXEAASA-N 2 1 331.464 1.458 20 0 EDADMP O=C(NCC1C[NH+](CC2CC(F)(F)C2)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031669450 697464621 /nfs/dbraw/zinc/46/46/21/697464621.db2.gz KHPWVKAZTCWFQW-HZPDHXFCSA-N 2 1 341.446 1.954 20 0 EDADMP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031689610 697531221 /nfs/dbraw/zinc/53/12/21/697531221.db2.gz XKBWPJGBVACAIG-RBUKOAKNSA-N 2 1 349.519 1.868 20 0 EDADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2c(C)noc2C)C1 ZINC001031712261 697721067 /nfs/dbraw/zinc/72/10/67/697721067.db2.gz USSVLJCZYZCTAX-QGZVFWFLSA-N 2 1 334.464 1.714 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2c(C)noc2C)C1 ZINC001031712261 697721069 /nfs/dbraw/zinc/72/10/69/697721069.db2.gz USSVLJCZYZCTAX-QGZVFWFLSA-N 2 1 334.464 1.714 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2oc(C)nc2C)C1 ZINC001031713746 697735520 /nfs/dbraw/zinc/73/55/20/697735520.db2.gz DTEYBZXIZCKIRH-INIZCTEOSA-N 2 1 334.464 1.714 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2oc(C)nc2C)C1 ZINC001031713746 697735523 /nfs/dbraw/zinc/73/55/23/697735523.db2.gz DTEYBZXIZCKIRH-INIZCTEOSA-N 2 1 334.464 1.714 20 0 EDADMP O=C(NCC1C[NH+](CC[C@H]2CCCO2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001031731539 698112566 /nfs/dbraw/zinc/11/25/66/698112566.db2.gz CZHDLZLYFPMICH-CVEARBPZSA-N 2 1 332.448 1.378 20 0 EDADMP CCc1nocc1C[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031765306 699051121 /nfs/dbraw/zinc/05/11/21/699051121.db2.gz VIEZCXUKAVBEJU-UHFFFAOYSA-N 2 1 346.475 1.661 20 0 EDADMP O=C(NCC1CN(Cc2cccnc2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001031766669 699064638 /nfs/dbraw/zinc/06/46/38/699064638.db2.gz LKOZKVDZRJKFQG-ZWKOTPCHSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001031766669 699064640 /nfs/dbraw/zinc/06/46/40/699064640.db2.gz LKOZKVDZRJKFQG-ZWKOTPCHSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001031766669 699064644 /nfs/dbraw/zinc/06/46/44/699064644.db2.gz LKOZKVDZRJKFQG-ZWKOTPCHSA-N 2 1 328.460 1.647 20 0 EDADMP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)[nH]1 ZINC000939055001 699115869 /nfs/dbraw/zinc/11/58/69/699115869.db2.gz RYCMZTXCHNWQQR-ZFWWWQNUSA-N 2 1 348.495 1.206 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000446293373 699118690 /nfs/dbraw/zinc/11/86/90/699118690.db2.gz XKPSEBPFHQBHCQ-CQSZACIVSA-N 2 1 325.416 1.060 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)c(C)n1 ZINC001031777287 699163034 /nfs/dbraw/zinc/16/30/34/699163034.db2.gz ZNROMGHKUIYZGV-SFHVURJKSA-N 2 1 330.476 1.731 20 0 EDADMP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c(C)n1 ZINC001031777287 699163037 /nfs/dbraw/zinc/16/30/37/699163037.db2.gz ZNROMGHKUIYZGV-SFHVURJKSA-N 2 1 330.476 1.731 20 0 EDADMP CN(C)c1cc(CN2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)ccn1 ZINC001031776703 699168900 /nfs/dbraw/zinc/16/89/00/699168900.db2.gz MOZQTUCACDGVSH-QGZVFWFLSA-N 2 1 345.491 1.180 20 0 EDADMP CN(C)c1cc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)ccn1 ZINC001031776703 699168903 /nfs/dbraw/zinc/16/89/03/699168903.db2.gz MOZQTUCACDGVSH-QGZVFWFLSA-N 2 1 345.491 1.180 20 0 EDADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1ccns1 ZINC000939138259 699217706 /nfs/dbraw/zinc/21/77/06/699217706.db2.gz VEAANBDRQPGVDI-HIFRSBDPSA-N 2 1 336.505 1.812 20 0 EDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939132127 699230904 /nfs/dbraw/zinc/23/09/04/699230904.db2.gz FNXKCOPGQGQFBA-RHSMWYFYSA-N 2 1 347.507 1.397 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001031806600 699429654 /nfs/dbraw/zinc/42/96/54/699429654.db2.gz IDUVPZSSAIQKKA-WMZOPIPTSA-N 2 1 337.508 1.581 20 0 EDADMP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)c(C)o1 ZINC000939260114 699438182 /nfs/dbraw/zinc/43/81/82/699438182.db2.gz ZFEHYTYTWVPTPD-FZKQIMNGSA-N 2 1 348.491 1.960 20 0 EDADMP C[N@H+]1CC[C@@H](C(=O)N2CCN(C3C[NH+](CCCC4CCC4)C3)CC2)C1 ZINC000941665507 701619496 /nfs/dbraw/zinc/61/94/96/701619496.db2.gz HEYGDNVRCRUXPR-GOSISDBHSA-N 2 1 348.535 1.347 20 0 EDADMP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)s1 ZINC000939756317 699922953 /nfs/dbraw/zinc/92/29/53/699922953.db2.gz SXNKXDMGILAKHO-QWHCGFSZSA-N 2 1 337.493 1.133 20 0 EDADMP Cc1nocc1C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948245750 700457959 /nfs/dbraw/zinc/45/79/59/700457959.db2.gz SLYYJPLTHXSSJD-IRXDYDNUSA-N 2 1 334.464 1.890 20 0 EDADMP Cc1nocc1C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000948245750 700457963 /nfs/dbraw/zinc/45/79/63/700457963.db2.gz SLYYJPLTHXSSJD-IRXDYDNUSA-N 2 1 334.464 1.890 20 0 EDADMP Cc1nocc1C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000948245750 700457964 /nfs/dbraw/zinc/45/79/64/700457964.db2.gz SLYYJPLTHXSSJD-IRXDYDNUSA-N 2 1 334.464 1.890 20 0 EDADMP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000940327660 700504837 /nfs/dbraw/zinc/50/48/37/700504837.db2.gz MXWUWLBYTAEYJS-GOEBONIOSA-N 2 1 345.491 1.453 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccc(F)cn2)CC1 ZINC000940329723 700509554 /nfs/dbraw/zinc/50/95/54/700509554.db2.gz XYNUYPHXCPEKQL-YOEHRIQHSA-N 2 1 348.466 1.889 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940472034 700657212 /nfs/dbraw/zinc/65/72/12/700657212.db2.gz GNCLBDWVJXRCLT-KRWDZBQOSA-N 2 1 347.507 1.765 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3ncc(C4CC4)o3)CC2)C1 ZINC000940457548 700661264 /nfs/dbraw/zinc/66/12/64/700661264.db2.gz KGEPATXVSLKDCT-HNNXBMFYSA-N 2 1 346.475 1.974 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000940461482 700664566 /nfs/dbraw/zinc/66/45/66/700664566.db2.gz CSNONPYDTYLAEJ-NVXWUHKLSA-N 2 1 348.491 1.977 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCOC)CC1(C)C ZINC000940785071 700895948 /nfs/dbraw/zinc/89/59/48/700895948.db2.gz GXQDCVHTGZPBRY-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCOC)CC1(C)C ZINC000940785071 700895949 /nfs/dbraw/zinc/89/59/49/700895949.db2.gz GXQDCVHTGZPBRY-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCOC)CC1(C)C ZINC000940785071 700895951 /nfs/dbraw/zinc/89/59/51/700895951.db2.gz GXQDCVHTGZPBRY-HZPDHXFCSA-N 2 1 325.497 1.724 20 0 EDADMP CC[C@@H](C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1)OC ZINC000940894423 700985499 /nfs/dbraw/zinc/98/54/99/700985499.db2.gz ZVQGRVCKVJOKID-JKSUJKDBSA-N 2 1 336.480 1.833 20 0 EDADMP CC[C@@H](C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1)OC ZINC000940894423 700985501 /nfs/dbraw/zinc/98/55/01/700985501.db2.gz ZVQGRVCKVJOKID-JKSUJKDBSA-N 2 1 336.480 1.833 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124167 701181803 /nfs/dbraw/zinc/18/18/03/701181803.db2.gz OFDICAQRZXYMOJ-JKSUJKDBSA-N 2 1 325.497 1.316 20 0 EDADMP Cn1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)cn1 ZINC000941220531 701410780 /nfs/dbraw/zinc/41/07/80/701410780.db2.gz FXWVBKHRPZLSHA-INIZCTEOSA-N 2 1 333.480 1.233 20 0 EDADMP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941236902 701427389 /nfs/dbraw/zinc/42/73/89/701427389.db2.gz CNVZHJFUZMMEMH-YJBOKZPZSA-N 2 1 347.503 1.959 20 0 EDADMP C[C@H](F)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518409 706602328 /nfs/dbraw/zinc/60/23/28/706602328.db2.gz UBLXQTCWHMZMFT-NXOAAHMSSA-N 2 1 325.472 1.999 20 0 EDADMP C[C@H](F)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518409 706602330 /nfs/dbraw/zinc/60/23/30/706602330.db2.gz UBLXQTCWHMZMFT-NXOAAHMSSA-N 2 1 325.472 1.999 20 0 EDADMP C[C@H](F)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946518409 706602333 /nfs/dbraw/zinc/60/23/33/706602333.db2.gz UBLXQTCWHMZMFT-NXOAAHMSSA-N 2 1 325.472 1.999 20 0 EDADMP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941408946 701521344 /nfs/dbraw/zinc/52/13/44/701521344.db2.gz ZLRPHDUFTJLXRX-ROUUACIJSA-N 2 1 346.519 1.099 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCCc2ccccc2)C1 ZINC001031975937 701932448 /nfs/dbraw/zinc/93/24/48/701932448.db2.gz CBPDWNBEPBIHMF-APWZRJJASA-N 2 1 329.488 1.865 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976696 701971921 /nfs/dbraw/zinc/97/19/21/701971921.db2.gz QTKVHPIRNDUCMK-KDOFPFPSSA-N 2 1 347.507 1.518 20 0 EDADMP Cc1nn(C(C)C)cc1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976696 701971925 /nfs/dbraw/zinc/97/19/25/701971925.db2.gz QTKVHPIRNDUCMK-KDOFPFPSSA-N 2 1 347.507 1.518 20 0 EDADMP CC(C)c1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)n1 ZINC001031977209 702014805 /nfs/dbraw/zinc/01/48/05/702014805.db2.gz AVYGVJVSODSAII-YJBOKZPZSA-N 2 1 344.503 1.951 20 0 EDADMP CC(C)c1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)n1 ZINC001031977209 702014811 /nfs/dbraw/zinc/01/48/11/702014811.db2.gz AVYGVJVSODSAII-YJBOKZPZSA-N 2 1 344.503 1.951 20 0 EDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000995806519 702052648 /nfs/dbraw/zinc/05/26/48/702052648.db2.gz WUHNVELXBONUDG-JKSUJKDBSA-N 2 1 348.495 1.015 20 0 EDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000995806519 702052653 /nfs/dbraw/zinc/05/26/53/702052653.db2.gz WUHNVELXBONUDG-JKSUJKDBSA-N 2 1 348.495 1.015 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3CC)C2)o1 ZINC001032205627 702091367 /nfs/dbraw/zinc/09/13/67/702091367.db2.gz DERYJZVDIOIDDA-MRXNPFEDSA-N 2 1 348.491 1.968 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3CC)C2)o1 ZINC001032205627 702091374 /nfs/dbraw/zinc/09/13/74/702091374.db2.gz DERYJZVDIOIDDA-MRXNPFEDSA-N 2 1 348.491 1.968 20 0 EDADMP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH2+]Cc1nncs1 ZINC000995824278 702094755 /nfs/dbraw/zinc/09/47/55/702094755.db2.gz ODMOBDDHOROQGQ-KGLIPLIRSA-N 2 1 349.504 1.207 20 0 EDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2oc(C)nc2C)C1 ZINC001032205759 702100306 /nfs/dbraw/zinc/10/03/06/702100306.db2.gz IHXOALLYGNRUFW-MRXNPFEDSA-N 2 1 334.464 1.714 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2oc(C)nc2C)C1 ZINC001032205759 702100311 /nfs/dbraw/zinc/10/03/11/702100311.db2.gz IHXOALLYGNRUFW-MRXNPFEDSA-N 2 1 334.464 1.714 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995827695 702101406 /nfs/dbraw/zinc/10/14/06/702101406.db2.gz VGLKGOUJVKSVIX-BBWFWOEESA-N 2 1 347.507 1.477 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCCc2ccsc2)C1 ZINC001031980612 702141541 /nfs/dbraw/zinc/14/15/41/702141541.db2.gz WQTDQHRSUKXGRR-YOEHRIQHSA-N 2 1 335.517 1.926 20 0 EDADMP C[NH+](C)[C@H](C(=O)N1C[C@H]([NH2+]Cc2nncs2)C(C)(C)C1)C1CC1 ZINC000995892017 702191044 /nfs/dbraw/zinc/19/10/44/702191044.db2.gz FBVMHSWYLFGFQA-JSGCOSHPSA-N 2 1 337.493 1.205 20 0 EDADMP CCn1ncc(C[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)n1 ZINC000995894513 702196824 /nfs/dbraw/zinc/19/68/24/702196824.db2.gz KDIYIOSGHQEIES-HNNXBMFYSA-N 2 1 348.495 1.109 20 0 EDADMP CC(C)[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000995899653 702205465 /nfs/dbraw/zinc/20/54/65/702205465.db2.gz XBBNSKWBLKDQGE-SJORKVTESA-N 2 1 337.508 1.865 20 0 EDADMP Cn1nncc1C[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995918651 702237921 /nfs/dbraw/zinc/23/79/21/702237921.db2.gz XRYSRZSOQMVNLB-HOCLYGCPSA-N 2 1 348.495 1.016 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)nn1 ZINC000995921863 702244114 /nfs/dbraw/zinc/24/41/14/702244114.db2.gz YYNSKKYDARQLAH-INIZCTEOSA-N 2 1 348.495 1.109 20 0 EDADMP CCn1cc(C[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)nn1 ZINC000995921863 702244119 /nfs/dbraw/zinc/24/41/19/702244119.db2.gz YYNSKKYDARQLAH-INIZCTEOSA-N 2 1 348.495 1.109 20 0 EDADMP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995964610 702309498 /nfs/dbraw/zinc/30/94/98/702309498.db2.gz BJSOTUPDCNYSJI-IRXDYDNUSA-N 2 1 345.491 1.596 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccnc3)C2)CC[N@H+]1C ZINC000999211251 706663690 /nfs/dbraw/zinc/66/36/90/706663690.db2.gz XQLQITXMKGEDBC-FGTMMUONSA-N 2 1 330.476 1.893 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncc(C)cn3)C2)CC[N@@H+]1C ZINC000999210998 706663973 /nfs/dbraw/zinc/66/39/73/706663973.db2.gz WOMYHJKRFCGGJI-IXDOHACOSA-N 2 1 345.491 1.596 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncc(C)cn3)C2)CC[N@H+]1C ZINC000999210998 706663976 /nfs/dbraw/zinc/66/39/76/706663976.db2.gz WOMYHJKRFCGGJI-IXDOHACOSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CCc2ccns2)C(C)(C)C1 ZINC000996045368 702439383 /nfs/dbraw/zinc/43/93/83/702439383.db2.gz WDKODYCVBMWDRK-OAHLLOKOSA-N 2 1 347.488 1.717 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)C(C)(C)C1 ZINC000996046013 702440403 /nfs/dbraw/zinc/44/04/03/702440403.db2.gz YMBVSNAKSUZXSA-HZPDHXFCSA-N 2 1 334.464 1.587 20 0 EDADMP CC1(C)CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cnon1 ZINC000996102775 702521293 /nfs/dbraw/zinc/52/12/93/702521293.db2.gz WABRYGVGSAWJCS-JKSUJKDBSA-N 2 1 347.463 1.271 20 0 EDADMP CC1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CCO ZINC000996187652 702592736 /nfs/dbraw/zinc/59/27/36/702592736.db2.gz CQYLXCYIVMHWRZ-IAGOWNOFSA-N 2 1 337.508 1.602 20 0 EDADMP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)cn1 ZINC000996293217 702685650 /nfs/dbraw/zinc/68/56/50/702685650.db2.gz BSBVJDYPWLRDOZ-PBHICJAKSA-N 2 1 345.491 1.596 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)co1 ZINC000996301568 702693768 /nfs/dbraw/zinc/69/37/68/702693768.db2.gz UXSLLJFYOZZJRN-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)co1 ZINC000996301568 702693771 /nfs/dbraw/zinc/69/37/71/702693771.db2.gz UXSLLJFYOZZJRN-CJNGLKHVSA-N 2 1 334.464 1.651 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)no1 ZINC000996462720 702790298 /nfs/dbraw/zinc/79/02/98/702790298.db2.gz AAHXWVDCGMSMOK-XJKSGUPXSA-N 2 1 349.479 1.892 20 0 EDADMP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)no1 ZINC000996462720 702790299 /nfs/dbraw/zinc/79/02/99/702790299.db2.gz AAHXWVDCGMSMOK-XJKSGUPXSA-N 2 1 349.479 1.892 20 0 EDADMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]Cc3nncs3)C(C)(C)C2)C1 ZINC000996513883 702833164 /nfs/dbraw/zinc/83/31/64/702833164.db2.gz KGQNBTWXUCQFKV-OLZOCXBDSA-N 2 1 337.493 1.207 20 0 EDADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]Cc3nncs3)C(C)(C)C2)C1 ZINC000996513883 702833166 /nfs/dbraw/zinc/83/31/66/702833166.db2.gz KGQNBTWXUCQFKV-OLZOCXBDSA-N 2 1 337.493 1.207 20 0 EDADMP Cn1nccc1C[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518248 702853654 /nfs/dbraw/zinc/85/36/54/702853654.db2.gz IUFQMRXYLNNQDA-HOCLYGCPSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC000996605472 702915085 /nfs/dbraw/zinc/91/50/85/702915085.db2.gz FKKBZPMDUHTYFS-SQWLQELKSA-N 2 1 331.464 1.458 20 0 EDADMP CC(C)n1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)nn1 ZINC000996614283 702919596 /nfs/dbraw/zinc/91/95/96/702919596.db2.gz MRJXAQVWXNMPLN-GOEBONIOSA-N 2 1 348.495 1.137 20 0 EDADMP CC(C)n1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)nn1 ZINC000996614283 702919597 /nfs/dbraw/zinc/91/95/97/702919597.db2.gz MRJXAQVWXNMPLN-GOEBONIOSA-N 2 1 348.495 1.137 20 0 EDADMP Cc1cnc([C@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996609613 702920609 /nfs/dbraw/zinc/92/06/09/702920609.db2.gz ICRIJTVACHZQTN-LSDHHAIUSA-N 2 1 334.464 1.966 20 0 EDADMP Cc1ccnc(CN[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996615681 702923059 /nfs/dbraw/zinc/92/30/59/702923059.db2.gz QFLMUMJPAOIBHS-GJZGRUSLSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996615681 702923060 /nfs/dbraw/zinc/92/30/60/702923060.db2.gz QFLMUMJPAOIBHS-GJZGRUSLSA-N 2 1 331.464 1.063 20 0 EDADMP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996615681 702923062 /nfs/dbraw/zinc/92/30/62/702923062.db2.gz QFLMUMJPAOIBHS-GJZGRUSLSA-N 2 1 331.464 1.063 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996615870 702923398 /nfs/dbraw/zinc/92/33/98/702923398.db2.gz RJKBCBXKKUZALL-HUUCEWRRSA-N 2 1 348.495 1.137 20 0 EDADMP CC(C)n1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996615870 702923400 /nfs/dbraw/zinc/92/34/00/702923400.db2.gz RJKBCBXKKUZALL-HUUCEWRRSA-N 2 1 348.495 1.137 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)o1 ZINC000996667963 702965206 /nfs/dbraw/zinc/96/52/06/702965206.db2.gz GQUFNZOMZQGNEK-INIZCTEOSA-N 2 1 349.479 1.722 20 0 EDADMP Cc1nnc(C[NH2+]C2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)o1 ZINC000996667963 702965207 /nfs/dbraw/zinc/96/52/07/702965207.db2.gz GQUFNZOMZQGNEK-INIZCTEOSA-N 2 1 349.479 1.722 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996665248 702967906 /nfs/dbraw/zinc/96/79/06/702967906.db2.gz AQXFTLDAXRNIHR-IAGOWNOFSA-N 2 1 347.507 1.621 20 0 EDADMP Cn1cc(CC[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000996692358 702989770 /nfs/dbraw/zinc/98/97/70/702989770.db2.gz XSNLEYFWYVMJTK-SFHVURJKSA-N 2 1 347.507 1.418 20 0 EDADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1)c1csnn1 ZINC000996720695 703014511 /nfs/dbraw/zinc/01/45/11/703014511.db2.gz DXSMYMDTQQJFQD-SWLSCSKDSA-N 2 1 337.493 1.664 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2oc(C)nc2C)C[C@@H]1C ZINC000942518441 703018626 /nfs/dbraw/zinc/01/86/26/703018626.db2.gz RPJGMBICYLSCPL-LRDDRELGSA-N 2 1 345.447 1.823 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2oc(C)nc2C)C[C@@H]1C ZINC000942518441 703018628 /nfs/dbraw/zinc/01/86/28/703018628.db2.gz RPJGMBICYLSCPL-LRDDRELGSA-N 2 1 345.447 1.823 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cncn2C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942554961 703068349 /nfs/dbraw/zinc/06/83/49/703068349.db2.gz BMXCEAFALIEWLJ-RDJZCZTQSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596694 703111150 /nfs/dbraw/zinc/11/11/50/703111150.db2.gz DVDWSIJTJJEGDP-PBHICJAKSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596694 703111151 /nfs/dbraw/zinc/11/11/51/703111151.db2.gz DVDWSIJTJJEGDP-PBHICJAKSA-N 2 1 333.480 1.089 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597134 703112120 /nfs/dbraw/zinc/11/21/20/703112120.db2.gz JBMPFYGWAUPPPI-QAPCUYQASA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000942597522 703112485 /nfs/dbraw/zinc/11/24/85/703112485.db2.gz LBXUJHJNEDTASM-KSSFIOAISA-N 2 1 345.491 1.453 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N(Cc2cccnc2)C[C@H]2CC[NH+](CCF)C2)C1 ZINC000995267418 703187487 /nfs/dbraw/zinc/18/74/87/703187487.db2.gz KUNOPABANYJRKD-ROUUACIJSA-N 2 1 348.466 1.653 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N(Cc2cccnc2)C[C@H]2CC[N@H+](CCF)C2)C1 ZINC000995267418 703187488 /nfs/dbraw/zinc/18/74/88/703187488.db2.gz KUNOPABANYJRKD-ROUUACIJSA-N 2 1 348.466 1.653 20 0 EDADMP C[NH+]1CC[C@H](C(=O)N(Cc2cccnc2)C[C@H]2CC[N@@H+](CCF)C2)C1 ZINC000995267418 703187489 /nfs/dbraw/zinc/18/74/89/703187489.db2.gz KUNOPABANYJRKD-ROUUACIJSA-N 2 1 348.466 1.653 20 0 EDADMP CCn1ccnc1CN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000996978794 703234265 /nfs/dbraw/zinc/23/42/65/703234265.db2.gz JSGDYFWALCKVJJ-NVXWUHKLSA-N 2 1 347.507 1.714 20 0 EDADMP CCn1ccnc1C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000996978794 703234272 /nfs/dbraw/zinc/23/42/72/703234272.db2.gz JSGDYFWALCKVJJ-NVXWUHKLSA-N 2 1 347.507 1.714 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccn2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032044403 703240767 /nfs/dbraw/zinc/24/07/67/703240767.db2.gz RIXLVADTJWCAMX-MSOLQXFVSA-N 2 1 328.460 1.647 20 0 EDADMP O=C(NCC1C[NH+](Cc2ccccn2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032044403 703240768 /nfs/dbraw/zinc/24/07/68/703240768.db2.gz RIXLVADTJWCAMX-MSOLQXFVSA-N 2 1 328.460 1.647 20 0 EDADMP COc1ccnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)c1 ZINC000996994740 703251406 /nfs/dbraw/zinc/25/14/06/703251406.db2.gz IUWQTPUDBIGSJJ-OAHLLOKOSA-N 2 1 346.475 1.655 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000997000580 703257489 /nfs/dbraw/zinc/25/74/89/703257489.db2.gz RMRFWOSIBBXUKO-CYBMUJFWSA-N 2 1 335.452 1.197 20 0 EDADMP CCc1noc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000997000580 703257491 /nfs/dbraw/zinc/25/74/91/703257491.db2.gz RMRFWOSIBBXUKO-CYBMUJFWSA-N 2 1 335.452 1.197 20 0 EDADMP CCOC1CC(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000997002566 703259255 /nfs/dbraw/zinc/25/92/55/703259255.db2.gz XBPCPISFINTWNH-KLHKWILBSA-N 2 1 337.508 1.866 20 0 EDADMP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997004005 703260969 /nfs/dbraw/zinc/26/09/69/703260969.db2.gz BGZJEBTUDOMOTF-RHSMWYFYSA-N 2 1 346.475 1.369 20 0 EDADMP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)no1 ZINC000997007875 703265269 /nfs/dbraw/zinc/26/52/69/703265269.db2.gz RDTSUNGTYBNIGH-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000997062382 703313299 /nfs/dbraw/zinc/31/32/99/703313299.db2.gz IWBBCPDCXXYAPW-UHFFFAOYSA-N 2 1 344.463 1.521 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000997062299 703313407 /nfs/dbraw/zinc/31/34/07/703313407.db2.gz MNJCXJSIYARTQJ-KRWDZBQOSA-N 2 1 348.495 1.159 20 0 EDADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCCOC1)[NH+]1CCCCC1 ZINC001032404280 703423941 /nfs/dbraw/zinc/42/39/41/703423941.db2.gz DHHMQQRVXKXYHK-SQNIBIBYSA-N 2 1 349.519 1.963 20 0 EDADMP CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408847 703438062 /nfs/dbraw/zinc/43/80/62/703438062.db2.gz LLCJPIPSZMNSCI-OKYOBFRVSA-N 2 1 349.519 1.674 20 0 EDADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CCC3CCOCC3)CC2)C1 ZINC000997185165 703474315 /nfs/dbraw/zinc/47/43/15/703474315.db2.gz QWSWDOMKMGQMEK-KRWDZBQOSA-N 2 1 337.508 1.726 20 0 EDADMP COc1cc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)ccn1 ZINC000997188323 703478158 /nfs/dbraw/zinc/47/81/58/703478158.db2.gz ZEXDGZPIHNTFCM-INIZCTEOSA-N 2 1 346.475 1.513 20 0 EDADMP Cc1nnc([C@@H](C)[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997261921 703540512 /nfs/dbraw/zinc/54/05/12/703540512.db2.gz YJKNEHZHCJONRZ-XJKCOSOUSA-N 2 1 349.479 1.750 20 0 EDADMP Cc1nnc([C@@H](C)[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000997261921 703540514 /nfs/dbraw/zinc/54/05/14/703540514.db2.gz YJKNEHZHCJONRZ-XJKCOSOUSA-N 2 1 349.479 1.750 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(F)cc3F)CC2)C1 ZINC000997298922 703556746 /nfs/dbraw/zinc/55/67/46/703556746.db2.gz LBZSTBAKKVSYRE-AWEZNQCLSA-N 2 1 337.414 1.997 20 0 EDADMP CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001032443977 703620760 /nfs/dbraw/zinc/62/07/60/703620760.db2.gz GZMFKRQYFVRBGK-OKZBNKHCSA-N 2 1 335.492 1.571 20 0 EDADMP CC(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032443977 703620762 /nfs/dbraw/zinc/62/07/62/703620762.db2.gz GZMFKRQYFVRBGK-OKZBNKHCSA-N 2 1 335.492 1.571 20 0 EDADMP CC(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001032443977 703620764 /nfs/dbraw/zinc/62/07/64/703620764.db2.gz GZMFKRQYFVRBGK-OKZBNKHCSA-N 2 1 335.492 1.571 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)c1ccccc1)[NH+](C)C ZINC001032460252 703641637 /nfs/dbraw/zinc/64/16/37/703641637.db2.gz IISZCXONBGTQGB-OKYOBFRVSA-N 2 1 345.487 1.591 20 0 EDADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)c1ccccc1)[NH+](C)C ZINC001032460252 703641638 /nfs/dbraw/zinc/64/16/38/703641638.db2.gz IISZCXONBGTQGB-OKYOBFRVSA-N 2 1 345.487 1.591 20 0 EDADMP Cc1noc(C)c1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997422359 703670940 /nfs/dbraw/zinc/67/09/40/703670940.db2.gz WZRYIRQDLMEPAC-CXAGYDPISA-N 2 1 348.491 1.960 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC001004205186 703928590 /nfs/dbraw/zinc/92/85/90/703928590.db2.gz AQNUOFCNPXHHSD-IYBDPMFKSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC001004205186 703928593 /nfs/dbraw/zinc/92/85/93/703928593.db2.gz AQNUOFCNPXHHSD-IYBDPMFKSA-N 2 1 345.491 1.738 20 0 EDADMP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995550452 703953721 /nfs/dbraw/zinc/95/37/21/703953721.db2.gz JNRIWJSHILBHMJ-HZPDHXFCSA-N 2 1 334.464 1.658 20 0 EDADMP Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1)C2 ZINC000997648316 703963985 /nfs/dbraw/zinc/96/39/85/703963985.db2.gz HHPKTSYNHIUSKL-BBRMVZONSA-N 2 1 348.491 1.422 20 0 EDADMP Cc1ncoc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033071362 704092726 /nfs/dbraw/zinc/09/27/26/704092726.db2.gz ZKQNIOIWADOUNO-CVEARBPZSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1ncoc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033071362 704092730 /nfs/dbraw/zinc/09/27/30/704092730.db2.gz ZKQNIOIWADOUNO-CVEARBPZSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033071362 704092731 /nfs/dbraw/zinc/09/27/31/704092731.db2.gz ZKQNIOIWADOUNO-CVEARBPZSA-N 2 1 334.464 1.889 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033071362 704092735 /nfs/dbraw/zinc/09/27/35/704092735.db2.gz ZKQNIOIWADOUNO-CVEARBPZSA-N 2 1 334.464 1.889 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033075946 704123799 /nfs/dbraw/zinc/12/37/99/704123799.db2.gz JXTNZCBKGNAQSH-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033078017 704129524 /nfs/dbraw/zinc/12/95/24/704129524.db2.gz VNYQJWZROHELBV-HUUCEWRRSA-N 2 1 338.496 1.048 20 0 EDADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033078017 704129526 /nfs/dbraw/zinc/12/95/26/704129526.db2.gz VNYQJWZROHELBV-HUUCEWRRSA-N 2 1 338.496 1.048 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001033093283 704170467 /nfs/dbraw/zinc/17/04/67/704170467.db2.gz AJXKQMJMBTVTGB-YESZJQIVSA-N 2 1 333.480 1.183 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cnn(C)c3)C2)CC[N@H+]1C ZINC001033093283 704170469 /nfs/dbraw/zinc/17/04/69/704170469.db2.gz AJXKQMJMBTVTGB-YESZJQIVSA-N 2 1 333.480 1.183 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cnn(C)c3)C2)CC[NH+]1C ZINC001033093283 704170471 /nfs/dbraw/zinc/17/04/71/704170471.db2.gz AJXKQMJMBTVTGB-YESZJQIVSA-N 2 1 333.480 1.183 20 0 EDADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)CC[NH+]1C ZINC001033093283 704170473 /nfs/dbraw/zinc/17/04/73/704170473.db2.gz AJXKQMJMBTVTGB-YESZJQIVSA-N 2 1 333.480 1.183 20 0 EDADMP Cc1ccncc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033094501 704177127 /nfs/dbraw/zinc/17/71/27/704177127.db2.gz IKFAXABRTFDYEA-BPQIPLTHSA-N 2 1 330.476 1.763 20 0 EDADMP Cc1ccncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033094501 704177130 /nfs/dbraw/zinc/17/71/30/704177130.db2.gz IKFAXABRTFDYEA-BPQIPLTHSA-N 2 1 330.476 1.763 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033094501 704177133 /nfs/dbraw/zinc/17/71/33/704177133.db2.gz IKFAXABRTFDYEA-BPQIPLTHSA-N 2 1 330.476 1.763 20 0 EDADMP Cc1cccnc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033095142 704181116 /nfs/dbraw/zinc/18/11/16/704181116.db2.gz RKEFTWPKESMCQN-BRWVUGGUSA-N 2 1 330.476 1.763 20 0 EDADMP Cc1cccnc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095142 704181117 /nfs/dbraw/zinc/18/11/17/704181117.db2.gz RKEFTWPKESMCQN-BRWVUGGUSA-N 2 1 330.476 1.763 20 0 EDADMP Cc1cccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095142 704181118 /nfs/dbraw/zinc/18/11/18/704181118.db2.gz RKEFTWPKESMCQN-BRWVUGGUSA-N 2 1 330.476 1.763 20 0 EDADMP Cc1noc(CCC[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001033095538 704182451 /nfs/dbraw/zinc/18/24/51/704182451.db2.gz ZFFVEJQVTAOYLL-FVQBIDKESA-N 2 1 349.479 1.184 20 0 EDADMP Cc1noc(CCC[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001033095538 704182453 /nfs/dbraw/zinc/18/24/53/704182453.db2.gz ZFFVEJQVTAOYLL-FVQBIDKESA-N 2 1 349.479 1.184 20 0 EDADMP Cc1noc(CCC[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001033095538 704182456 /nfs/dbraw/zinc/18/24/56/704182456.db2.gz ZFFVEJQVTAOYLL-FVQBIDKESA-N 2 1 349.479 1.184 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC000999303693 706797314 /nfs/dbraw/zinc/79/73/14/706797314.db2.gz IIFGMQGHWKWJND-HZPDHXFCSA-N 2 1 333.480 1.375 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC000999303694 706797498 /nfs/dbraw/zinc/79/74/98/706797498.db2.gz IIFGMQGHWKWJND-JKSUJKDBSA-N 2 1 333.480 1.375 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cn(C)nn2)CC1 ZINC000997776205 704677496 /nfs/dbraw/zinc/67/74/96/704677496.db2.gz LSJQGEDESWSWOI-QGZVFWFLSA-N 2 1 348.495 1.016 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nncn2C)CC1 ZINC000997822797 704742441 /nfs/dbraw/zinc/74/24/41/704742441.db2.gz UFZNCAPAUSIKGN-MRXNPFEDSA-N 2 1 348.495 1.018 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997822995 704742800 /nfs/dbraw/zinc/74/28/00/704742800.db2.gz ISIRKITXILQHDH-QGZVFWFLSA-N 2 1 349.479 1.661 20 0 EDADMP CCc1noc(C[NH2+]CC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)n1 ZINC000997824049 704743570 /nfs/dbraw/zinc/74/35/70/704743570.db2.gz PQAXIAHPMUPONP-UHFFFAOYSA-N 2 1 349.479 1.445 20 0 EDADMP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)C34CC[NH+](CC3)C4)CC2)no1 ZINC000997836320 704753628 /nfs/dbraw/zinc/75/36/28/704753628.db2.gz IKAWZNVDOMRFGO-HNNXBMFYSA-N 2 1 346.475 1.796 20 0 EDADMP Cn1cc(C[NH2+]CC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000997838377 704755739 /nfs/dbraw/zinc/75/57/39/704755739.db2.gz BXAJACSSWCDOSY-GOSISDBHSA-N 2 1 347.507 1.623 20 0 EDADMP CC1CC(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000997860726 704771348 /nfs/dbraw/zinc/77/13/48/704771348.db2.gz SKSBHZMBYQRWLU-XPJGSDBHSA-N 2 1 337.508 1.580 20 0 EDADMP CC1CC(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000997860726 704771352 /nfs/dbraw/zinc/77/13/52/704771352.db2.gz SKSBHZMBYQRWLU-XPJGSDBHSA-N 2 1 337.508 1.580 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000997866786 704773453 /nfs/dbraw/zinc/77/34/53/704773453.db2.gz UQCQQMUNSBCAEX-CJNGLKHVSA-N 2 1 348.495 1.487 20 0 EDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944942715 704795133 /nfs/dbraw/zinc/79/51/33/704795133.db2.gz CJWYPBHSFCFYBV-RDTXWAMCSA-N 2 1 348.491 1.968 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000997915368 704979624 /nfs/dbraw/zinc/97/96/24/704979624.db2.gz LKVRBIORJCKLAL-PKOBYXMFSA-N 2 1 346.475 1.446 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2cnoc2C)CC1 ZINC000997916296 704980826 /nfs/dbraw/zinc/98/08/26/704980826.db2.gz RBLOOPGWXXRMJH-UHFFFAOYSA-N 2 1 331.420 1.516 20 0 EDADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(C)(C)C2)C1 ZINC001032587638 705118582 /nfs/dbraw/zinc/11/85/82/705118582.db2.gz NTCCXBMPXFWECA-BZSNNMDCSA-N 2 1 349.519 1.817 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(C)(C)C2)C1 ZINC001032587638 705118586 /nfs/dbraw/zinc/11/85/86/705118586.db2.gz NTCCXBMPXFWECA-BZSNNMDCSA-N 2 1 349.519 1.817 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(C)(C)C2)C1 ZINC001032587638 705118588 /nfs/dbraw/zinc/11/85/88/705118588.db2.gz NTCCXBMPXFWECA-BZSNNMDCSA-N 2 1 349.519 1.817 20 0 EDADMP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(C)(C)C2)C1 ZINC001032587638 705118592 /nfs/dbraw/zinc/11/85/92/705118592.db2.gz NTCCXBMPXFWECA-BZSNNMDCSA-N 2 1 349.519 1.817 20 0 EDADMP CCN(C(=O)[C@H]1CCn2cncc2C1)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000998042809 705237606 /nfs/dbraw/zinc/23/76/06/705237606.db2.gz AOJMZWLSPRDZAW-IRXDYDNUSA-N 2 1 348.491 1.795 20 0 EDADMP CCN(C(=O)[C@H]1CCc2[nH]c(C)nc2C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998042778 705238039 /nfs/dbraw/zinc/23/80/39/705238039.db2.gz AMVKOLMSZYWALC-JKSUJKDBSA-N 2 1 348.491 1.518 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000998078994 705292296 /nfs/dbraw/zinc/29/22/96/705292296.db2.gz NUMIRNQFXVYTGB-CJNGLKHVSA-N 2 1 336.505 1.669 20 0 EDADMP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)co1 ZINC000998076677 705296267 /nfs/dbraw/zinc/29/62/67/705296267.db2.gz CCTYVBLPTJUTFT-SUMWQHHRSA-N 2 1 334.464 1.509 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC000998081614 705303111 /nfs/dbraw/zinc/30/31/11/705303111.db2.gz KQTBJISKEFPXNZ-SJLPKXTDSA-N 2 1 337.508 1.726 20 0 EDADMP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000998082484 705309453 /nfs/dbraw/zinc/30/94/53/705309453.db2.gz PUEFBNVOKVIELY-CQSZACIVSA-N 2 1 334.464 1.653 20 0 EDADMP Cc1cncc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC000998083062 705311570 /nfs/dbraw/zinc/31/15/70/705311570.db2.gz UJEFTRCCFQOFIG-APWZRJJASA-N 2 1 344.503 1.916 20 0 EDADMP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@H+]([C@@H](C)COC)CC1 ZINC000998177699 705468276 /nfs/dbraw/zinc/46/82/76/705468276.db2.gz UTVGVHKMYOFASK-IRXDYDNUSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000998267306 705641927 /nfs/dbraw/zinc/64/19/27/705641927.db2.gz VXMAEFZJBYTYQU-WBVHZDCISA-N 2 1 345.491 1.626 20 0 EDADMP Cc1nnc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)s1 ZINC000998270593 705649222 /nfs/dbraw/zinc/64/92/22/705649222.db2.gz VSYCLONTSHSTHV-UHFFFAOYSA-N 2 1 348.476 1.380 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCOCC2)C1 ZINC001032629043 705747091 /nfs/dbraw/zinc/74/70/91/705747091.db2.gz LPKFTAFIUNQEKT-ROUUACIJSA-N 2 1 349.519 1.820 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCOCC2)C1 ZINC001032629043 705747093 /nfs/dbraw/zinc/74/70/93/705747093.db2.gz LPKFTAFIUNQEKT-ROUUACIJSA-N 2 1 349.519 1.820 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCOCC2)C1 ZINC001032629043 705747098 /nfs/dbraw/zinc/74/70/98/705747098.db2.gz LPKFTAFIUNQEKT-ROUUACIJSA-N 2 1 349.519 1.820 20 0 EDADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@@H]2CCCOC2)C1 ZINC001032629698 705754294 /nfs/dbraw/zinc/75/42/94/705754294.db2.gz JAMJENHYRKBTDK-ULQDDVLXSA-N 2 1 335.492 1.430 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCCOC2)C1 ZINC001032629698 705754298 /nfs/dbraw/zinc/75/42/98/705754298.db2.gz JAMJENHYRKBTDK-ULQDDVLXSA-N 2 1 335.492 1.430 20 0 EDADMP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CCCOC2)C1 ZINC001032629698 705754301 /nfs/dbraw/zinc/75/43/01/705754301.db2.gz JAMJENHYRKBTDK-ULQDDVLXSA-N 2 1 335.492 1.430 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000998549066 705984914 /nfs/dbraw/zinc/98/49/14/705984914.db2.gz KAPBGITXTQOQFC-AVVWSFFYSA-N 2 1 332.448 1.725 20 0 EDADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000998549066 705984918 /nfs/dbraw/zinc/98/49/18/705984918.db2.gz KAPBGITXTQOQFC-AVVWSFFYSA-N 2 1 332.448 1.725 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(CC)n2)C1 ZINC000998866575 706296466 /nfs/dbraw/zinc/29/64/66/706296466.db2.gz LUOXPNPJGPOGAU-ABHNRTSZSA-N 2 1 347.507 1.856 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000998897588 706325296 /nfs/dbraw/zinc/32/52/96/706325296.db2.gz HWGVTPAYCWDANY-QQFBHYJXSA-N 2 1 349.479 1.435 20 0 EDADMP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000998897588 706325293 /nfs/dbraw/zinc/32/52/93/706325293.db2.gz HWGVTPAYCWDANY-QQFBHYJXSA-N 2 1 349.479 1.435 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]Cc2cn(C)nn2)C1 ZINC000998901599 706338530 /nfs/dbraw/zinc/33/85/30/706338530.db2.gz OUKDOFWSGCCREG-ARWYELJZSA-N 2 1 348.495 1.157 20 0 EDADMP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)C1CC([NH2+]Cc2cncs2)C1 ZINC000998902672 706339628 /nfs/dbraw/zinc/33/96/28/706339628.db2.gz WYICUCPXFMFNIE-PIMMBPRGSA-N 2 1 345.472 1.996 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000998993971 706411330 /nfs/dbraw/zinc/41/13/30/706411330.db2.gz HXMUKGCUUUYJEL-IUPXNIOVSA-N 2 1 345.491 1.393 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999036234 706450827 /nfs/dbraw/zinc/45/08/27/706450827.db2.gz QEHKLEYTNUIFQY-DAWZGUTISA-N 2 1 347.507 1.620 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000999050852 706471526 /nfs/dbraw/zinc/47/15/26/706471526.db2.gz MKPUPUDHFBEVCF-LRVUVFPRSA-N 2 1 347.463 1.646 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC[C@@H]3CCCO3)C[C@H]2CC1 ZINC000946517458 706527626 /nfs/dbraw/zinc/52/76/26/706527626.db2.gz DMEZBNCKDYZFNZ-ZSYWTGECSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2CC1 ZINC000946517458 706527628 /nfs/dbraw/zinc/52/76/28/706527628.db2.gz DMEZBNCKDYZFNZ-ZSYWTGECSA-N 2 1 349.519 1.820 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2CC1 ZINC000946517458 706527630 /nfs/dbraw/zinc/52/76/30/706527630.db2.gz DMEZBNCKDYZFNZ-ZSYWTGECSA-N 2 1 349.519 1.820 20 0 EDADMP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC000999123336 706548233 /nfs/dbraw/zinc/54/82/33/706548233.db2.gz IVTMLPRVRGHGEO-UHFFFAOYSA-N 2 1 330.436 1.187 20 0 EDADMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncccn3)C2)C1 ZINC000999349797 706861956 /nfs/dbraw/zinc/86/19/56/706861956.db2.gz VALUFHGLZYLUNN-DLBZAZTESA-N 2 1 345.491 1.535 20 0 EDADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncccn3)C2)C1 ZINC000999349797 706861959 /nfs/dbraw/zinc/86/19/59/706861959.db2.gz VALUFHGLZYLUNN-DLBZAZTESA-N 2 1 345.491 1.535 20 0 EDADMP CCn1c(C)nnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999362466 706876140 /nfs/dbraw/zinc/87/61/40/706876140.db2.gz BAURZIOFWQEOOL-NVXWUHKLSA-N 2 1 348.495 1.027 20 0 EDADMP Cn1ccc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000999400378 706895304 /nfs/dbraw/zinc/89/53/04/706895304.db2.gz KTFPIERINWUTLG-SJORKVTESA-N 2 1 333.480 1.375 20 0 EDADMP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000999406895 706916550 /nfs/dbraw/zinc/91/65/50/706916550.db2.gz BOPPVPGDYHWLCZ-FAEJEUNOSA-N 2 1 347.507 1.366 20 0 EDADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3cc(C4CC4)no3)C2)C1 ZINC000999407724 706917575 /nfs/dbraw/zinc/91/75/75/706917575.db2.gz FCUQGTLUIVDJLQ-JEYLPNPQSA-N 2 1 346.475 1.973 20 0 EDADMP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999407903 706917699 /nfs/dbraw/zinc/91/76/99/706917699.db2.gz XUKLFBULIAIPSE-IGEOTXOUSA-N 2 1 333.480 1.292 20 0 EDADMP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)n1 ZINC000999502796 707000234 /nfs/dbraw/zinc/00/02/34/707000234.db2.gz MZXFVOZCCHWCQR-IUDNXUCKSA-N 2 1 349.479 1.722 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000999506453 707003925 /nfs/dbraw/zinc/00/39/25/707003925.db2.gz AUOOYACVRYJXIL-HOCLYGCPSA-N 2 1 336.505 1.751 20 0 EDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2C)C1 ZINC000999506807 707004640 /nfs/dbraw/zinc/00/46/40/707004640.db2.gz RYTZYZVKPBGZRK-GPANFISMSA-N 2 1 348.495 1.157 20 0 EDADMP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)o1 ZINC000999512427 707011176 /nfs/dbraw/zinc/01/11/76/707011176.db2.gz PPKUAWMKVDWVTK-HZPDHXFCSA-N 2 1 334.464 1.856 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000999515031 707014036 /nfs/dbraw/zinc/01/40/36/707014036.db2.gz WVVXRKIAQAIXFS-SJORKVTESA-N 2 1 334.439 1.786 20 0 EDADMP CCn1nnc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999515839 707015096 /nfs/dbraw/zinc/01/50/96/707015096.db2.gz YWXMVVVVRRAPGL-HOTGVXAUSA-N 2 1 348.495 1.171 20 0 EDADMP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ncnn2C(C)C)C1)[NH+](C)C ZINC000999492040 707028637 /nfs/dbraw/zinc/02/86/37/707028637.db2.gz YPXBJHNRMKDDHP-LSDHHAIUSA-N 2 1 336.484 1.280 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC000999576547 707083758 /nfs/dbraw/zinc/08/37/58/707083758.db2.gz YDDZSCBRCIXRSU-CVEARBPZSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC000999576547 707083760 /nfs/dbraw/zinc/08/37/60/707083760.db2.gz YDDZSCBRCIXRSU-CVEARBPZSA-N 2 1 348.495 1.016 20 0 EDADMP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC000999680870 707165454 /nfs/dbraw/zinc/16/54/54/707165454.db2.gz BRPMYPPVOQRLRG-NFOMZHRRSA-N 2 1 348.495 1.349 20 0 EDADMP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999683132 707204017 /nfs/dbraw/zinc/20/40/17/707204017.db2.gz WYKOPUBCYCYWIA-QQFBHYJXSA-N 2 1 333.480 1.324 20 0 EDADMP CCc1noc([C@H](C)[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000999697774 707223629 /nfs/dbraw/zinc/22/36/29/707223629.db2.gz LXXHMKLPRBSQFO-HSBZDZAISA-N 2 1 347.463 1.368 20 0 EDADMP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC000999690429 707246824 /nfs/dbraw/zinc/24/68/24/707246824.db2.gz YIUNCPMKBCYSMS-HPUBIQBYSA-N 2 1 331.464 1.206 20 0 EDADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]2CC1)[NH+](C)C ZINC000946784737 707313716 /nfs/dbraw/zinc/31/37/16/707313716.db2.gz RMBRUGXNOCKXQW-JZXOWHBKSA-N 2 1 347.507 1.431 20 0 EDADMP CN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033278074 707344460 /nfs/dbraw/zinc/34/44/60/707344460.db2.gz KZXNMKDGXOBNLY-DHADLLTHSA-N 2 1 333.476 1.182 20 0 EDADMP CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033278074 707344464 /nfs/dbraw/zinc/34/44/64/707344464.db2.gz KZXNMKDGXOBNLY-DHADLLTHSA-N 2 1 333.476 1.182 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033278074 707344466 /nfs/dbraw/zinc/34/44/66/707344466.db2.gz KZXNMKDGXOBNLY-DHADLLTHSA-N 2 1 333.476 1.182 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033182673 707358111 /nfs/dbraw/zinc/35/81/11/707358111.db2.gz QQOVBKHUOFWURI-QGZVFWFLSA-N 2 1 346.475 1.892 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033182673 707358112 /nfs/dbraw/zinc/35/81/12/707358112.db2.gz QQOVBKHUOFWURI-QGZVFWFLSA-N 2 1 346.475 1.892 20 0 EDADMP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033183177 707359106 /nfs/dbraw/zinc/35/91/06/707359106.db2.gz WUZKHWDGVCZQHA-DLBZAZTESA-N 2 1 335.492 1.432 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296290 707406010 /nfs/dbraw/zinc/40/60/10/707406010.db2.gz SHRGPSPGFIPXNS-WMZOPIPTSA-N 2 1 346.475 1.890 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296290 707406011 /nfs/dbraw/zinc/40/60/11/707406011.db2.gz SHRGPSPGFIPXNS-WMZOPIPTSA-N 2 1 346.475 1.890 20 0 EDADMP COc1ccc(F)cc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999831893 707462086 /nfs/dbraw/zinc/46/20/86/707462086.db2.gz NGTZWPRQCPVCDH-IGEOTXOUSA-N 2 1 349.450 1.865 20 0 EDADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999837219 707473581 /nfs/dbraw/zinc/47/35/81/707473581.db2.gz OHKXLSBCIARGAE-UHFFFAOYSA-N 2 1 343.431 1.836 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925345176 707495163 /nfs/dbraw/zinc/49/51/63/707495163.db2.gz URAQQQRVOCMJQL-BPQIPLTHSA-N 2 1 330.476 1.647 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)CC[N@H+]1C ZINC000925345176 707495165 /nfs/dbraw/zinc/49/51/65/707495165.db2.gz URAQQQRVOCMJQL-BPQIPLTHSA-N 2 1 330.476 1.647 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC[NH+]1C ZINC000925345176 707495168 /nfs/dbraw/zinc/49/51/68/707495168.db2.gz URAQQQRVOCMJQL-BPQIPLTHSA-N 2 1 330.476 1.647 20 0 EDADMP C[C@@H]1[C@H](NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC[NH+]1C ZINC000925345176 707495170 /nfs/dbraw/zinc/49/51/70/707495170.db2.gz URAQQQRVOCMJQL-BPQIPLTHSA-N 2 1 330.476 1.647 20 0 EDADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001033320990 707518071 /nfs/dbraw/zinc/51/80/71/707518071.db2.gz YXZCWGHMWQOVTF-IAGOWNOFSA-N 2 1 337.508 1.820 20 0 EDADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccc(C)n2)C1 ZINC000999876863 707525149 /nfs/dbraw/zinc/52/51/49/707525149.db2.gz UZQFQOKAAMIPOH-JCYILVPMSA-N 2 1 345.491 1.738 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccc(C)n2)C1 ZINC000999876863 707525153 /nfs/dbraw/zinc/52/51/53/707525153.db2.gz UZQFQOKAAMIPOH-JCYILVPMSA-N 2 1 345.491 1.738 20 0 EDADMP Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)[nH]1 ZINC000999877320 707526212 /nfs/dbraw/zinc/52/62/12/707526212.db2.gz ROFHLXGYAUUERK-UKRRQHHQSA-N 2 1 348.495 1.629 20 0 EDADMP C[C@@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004927931 707672377 /nfs/dbraw/zinc/67/23/77/707672377.db2.gz OPGJWYGQNNFXLT-PBHICJAKSA-N 2 1 348.495 1.016 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033357887 707677256 /nfs/dbraw/zinc/67/72/56/707677256.db2.gz CUHKQMZWPNDYLI-JLJPHGGASA-N 2 1 334.464 1.746 20 0 EDADMP Cc1oncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033357887 707677262 /nfs/dbraw/zinc/67/72/62/707677262.db2.gz CUHKQMZWPNDYLI-JLJPHGGASA-N 2 1 334.464 1.746 20 0 EDADMP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033357887 707677269 /nfs/dbraw/zinc/67/72/69/707677269.db2.gz CUHKQMZWPNDYLI-JLJPHGGASA-N 2 1 334.464 1.746 20 0 EDADMP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033357887 707677273 /nfs/dbraw/zinc/67/72/73/707677273.db2.gz CUHKQMZWPNDYLI-JLJPHGGASA-N 2 1 334.464 1.746 20 0 EDADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccnc3)C2)C1 ZINC000999999923 707683879 /nfs/dbraw/zinc/68/38/79/707683879.db2.gz OWESVANHIVOGLH-ZWKOTPCHSA-N 2 1 346.475 1.271 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccnc3)C2)C1 ZINC000999999923 707683881 /nfs/dbraw/zinc/68/38/81/707683881.db2.gz OWESVANHIVOGLH-ZWKOTPCHSA-N 2 1 346.475 1.271 20 0 EDADMP Cc1ncccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001032730592 707730012 /nfs/dbraw/zinc/73/00/12/707730012.db2.gz KIHCNBTUZLTHLL-NJAFHUGGSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1ncccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001032730592 707730015 /nfs/dbraw/zinc/73/00/15/707730015.db2.gz KIHCNBTUZLTHLL-NJAFHUGGSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032730592 707730018 /nfs/dbraw/zinc/73/00/18/707730018.db2.gz KIHCNBTUZLTHLL-NJAFHUGGSA-N 2 1 328.460 1.517 20 0 EDADMP Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032730592 707730021 /nfs/dbraw/zinc/73/00/21/707730021.db2.gz KIHCNBTUZLTHLL-NJAFHUGGSA-N 2 1 328.460 1.517 20 0 EDADMP CCc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420463 707830796 /nfs/dbraw/zinc/83/07/96/707830796.db2.gz PKZLHDMICJEYKE-GOEBONIOSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420463 707830798 /nfs/dbraw/zinc/83/07/98/707830798.db2.gz PKZLHDMICJEYKE-GOEBONIOSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033420463 707830800 /nfs/dbraw/zinc/83/08/00/707830800.db2.gz PKZLHDMICJEYKE-GOEBONIOSA-N 2 1 334.464 1.612 20 0 EDADMP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033420463 707830802 /nfs/dbraw/zinc/83/08/02/707830802.db2.gz PKZLHDMICJEYKE-GOEBONIOSA-N 2 1 334.464 1.612 20 0 EDADMP CC[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1)OC ZINC001033427110 707850786 /nfs/dbraw/zinc/85/07/86/707850786.db2.gz XVBPAPDPVYDTKL-HZPDHXFCSA-N 2 1 325.497 1.676 20 0 EDADMP CC[C@H](C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1)OC ZINC001033427110 707850791 /nfs/dbraw/zinc/85/07/91/707850791.db2.gz XVBPAPDPVYDTKL-HZPDHXFCSA-N 2 1 325.497 1.676 20 0 EDADMP CC[C@H](C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1)OC ZINC001033427110 707850797 /nfs/dbraw/zinc/85/07/97/707850797.db2.gz XVBPAPDPVYDTKL-HZPDHXFCSA-N 2 1 325.497 1.676 20 0 EDADMP Cc1ncoc1C[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225315 707853608 /nfs/dbraw/zinc/85/36/08/707853608.db2.gz FJXYCDSVTIXQCE-HNNXBMFYSA-N 2 1 332.448 1.644 20 0 EDADMP Cc1ncoc1C[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225315 707853611 /nfs/dbraw/zinc/85/36/11/707853611.db2.gz FJXYCDSVTIXQCE-HNNXBMFYSA-N 2 1 332.448 1.644 20 0 EDADMP Cc1ncc(CN[C@@H](C)[C@@H]2CCCCN2C(=O)Cn2ccnc2)o1 ZINC001005007740 707922043 /nfs/dbraw/zinc/92/20/43/707922043.db2.gz FKZQVHGCNAWKQX-BBRMVZONSA-N 2 1 331.420 1.739 20 0 EDADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001033474666 707963905 /nfs/dbraw/zinc/96/39/05/707963905.db2.gz JGCZWUSMZCIRHF-ZWKOTPCHSA-N 2 1 337.508 1.678 20 0 EDADMP CC[C@H](C[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1)OC ZINC001000330943 707990186 /nfs/dbraw/zinc/99/01/86/707990186.db2.gz AFMBIOVDTHKBMV-DOTOQJQBSA-N 2 1 337.508 1.724 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1C ZINC000921776252 708015052 /nfs/dbraw/zinc/01/50/52/708015052.db2.gz QUEYMQRBCNAZBZ-PBHICJAKSA-N 2 1 331.464 1.690 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCCC2)C1 ZINC001032794679 708061169 /nfs/dbraw/zinc/06/11/69/708061169.db2.gz BBWBCUIDNUJFBO-GBESFXJTSA-N 2 1 349.519 1.963 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCCC2)C1 ZINC001032794679 708061171 /nfs/dbraw/zinc/06/11/71/708061171.db2.gz BBWBCUIDNUJFBO-GBESFXJTSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCCC2)C1 ZINC001032794679 708061173 /nfs/dbraw/zinc/06/11/73/708061173.db2.gz BBWBCUIDNUJFBO-GBESFXJTSA-N 2 1 349.519 1.963 20 0 EDADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCCC2)C1 ZINC001032794679 708061175 /nfs/dbraw/zinc/06/11/75/708061175.db2.gz BBWBCUIDNUJFBO-GBESFXJTSA-N 2 1 349.519 1.963 20 0 EDADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1 ZINC001032801297 708082654 /nfs/dbraw/zinc/08/26/54/708082654.db2.gz OOWLKHGCTZXPKD-IRXDYDNUSA-N 2 1 331.464 1.044 20 0 EDADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1 ZINC001032801297 708082655 /nfs/dbraw/zinc/08/26/55/708082655.db2.gz OOWLKHGCTZXPKD-IRXDYDNUSA-N 2 1 331.464 1.044 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001005185002 708112057 /nfs/dbraw/zinc/11/20/57/708112057.db2.gz OLHXWQPQACENTH-SJORKVTESA-N 2 1 337.508 1.819 20 0 EDADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001005183618 708134149 /nfs/dbraw/zinc/13/41/49/708134149.db2.gz JKYMYSHFDNKZKI-AEFFLSMTSA-N 2 1 337.508 1.820 20 0 EDADMP CO[C@H](C)C[N@@H+]1CC=C(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001001378607 708140760 /nfs/dbraw/zinc/14/07/60/708140760.db2.gz KCWPJLYIKKNFBU-CQSZACIVSA-N 2 1 332.448 1.544 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001001469665 708150830 /nfs/dbraw/zinc/15/08/30/708150830.db2.gz XMXOQULVJHYQGJ-SFHVURJKSA-N 2 1 347.507 1.623 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001001469665 708150833 /nfs/dbraw/zinc/15/08/33/708150833.db2.gz XMXOQULVJHYQGJ-SFHVURJKSA-N 2 1 347.507 1.623 20 0 EDADMP Cc1ccncc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582025 708264509 /nfs/dbraw/zinc/26/45/09/708264509.db2.gz NIHDZMGWZQYWJQ-AEFFLSMTSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ccncc1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033582025 708264512 /nfs/dbraw/zinc/26/45/12/708264512.db2.gz NIHDZMGWZQYWJQ-AEFFLSMTSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ccncc1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033582025 708264516 /nfs/dbraw/zinc/26/45/16/708264516.db2.gz NIHDZMGWZQYWJQ-AEFFLSMTSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582811 708266420 /nfs/dbraw/zinc/26/64/20/708266420.db2.gz RFSVVDUKPUGDHB-WMZOPIPTSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033582811 708266422 /nfs/dbraw/zinc/26/64/22/708266422.db2.gz RFSVVDUKPUGDHB-WMZOPIPTSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033582811 708266423 /nfs/dbraw/zinc/26/64/23/708266423.db2.gz RFSVVDUKPUGDHB-WMZOPIPTSA-N 2 1 330.476 1.765 20 0 EDADMP Cc1ccncc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001831892 708357415 /nfs/dbraw/zinc/35/74/15/708357415.db2.gz BFXZTJUHYBTEMO-QFBILLFUSA-N 2 1 344.503 1.916 20 0 EDADMP Cc1cncc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC001001833287 708359537 /nfs/dbraw/zinc/35/95/37/708359537.db2.gz KPBHMDCCEHONFC-QFBILLFUSA-N 2 1 344.503 1.916 20 0 EDADMP Cc1oncc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001835022 708361705 /nfs/dbraw/zinc/36/17/05/708361705.db2.gz UNSMAJBNNQYCTG-CXAGYDPISA-N 2 1 334.464 1.509 20 0 EDADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC001033657906 708429576 /nfs/dbraw/zinc/42/95/76/708429576.db2.gz OGAFLCAHTYCILG-SFHVURJKSA-N 2 1 337.508 1.822 20 0 EDADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001033663544 708443716 /nfs/dbraw/zinc/44/37/16/708443716.db2.gz WXMCPXWJBOYIFG-LSDHHAIUSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001033663544 708443719 /nfs/dbraw/zinc/44/37/19/708443719.db2.gz WXMCPXWJBOYIFG-LSDHHAIUSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001033663544 708443722 /nfs/dbraw/zinc/44/37/22/708443722.db2.gz WXMCPXWJBOYIFG-LSDHHAIUSA-N 2 1 334.464 1.530 20 0 EDADMP CCc1nc(C)c(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001033663544 708443724 /nfs/dbraw/zinc/44/37/24/708443724.db2.gz WXMCPXWJBOYIFG-LSDHHAIUSA-N 2 1 334.464 1.530 20 0 EDADMP COc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033666528 708451403 /nfs/dbraw/zinc/45/14/03/708451403.db2.gz XELFVOPYVAQQEA-HOTGVXAUSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033666528 708451406 /nfs/dbraw/zinc/45/14/06/708451406.db2.gz XELFVOPYVAQQEA-HOTGVXAUSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033666528 708451410 /nfs/dbraw/zinc/45/14/10/708451410.db2.gz XELFVOPYVAQQEA-HOTGVXAUSA-N 2 1 332.448 1.075 20 0 EDADMP COc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033666528 708451413 /nfs/dbraw/zinc/45/14/13/708451413.db2.gz XELFVOPYVAQQEA-HOTGVXAUSA-N 2 1 332.448 1.075 20 0 EDADMP CCn1cc(CC[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)cn1 ZINC001033670465 708460454 /nfs/dbraw/zinc/46/04/54/708460454.db2.gz VECRSMSOCRTRFP-KRWDZBQOSA-N 2 1 344.463 1.183 20 0 EDADMP CCn1cc(CC[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)cn1 ZINC001033670465 708460456 /nfs/dbraw/zinc/46/04/56/708460456.db2.gz VECRSMSOCRTRFP-KRWDZBQOSA-N 2 1 344.463 1.183 20 0 EDADMP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033658705 708469669 /nfs/dbraw/zinc/46/96/69/708469669.db2.gz BIQSGQWPDIRTSC-IRXDYDNUSA-N 2 1 331.460 1.680 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001033658705 708469671 /nfs/dbraw/zinc/46/96/71/708469671.db2.gz BIQSGQWPDIRTSC-IRXDYDNUSA-N 2 1 331.460 1.680 20 0 EDADMP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033658705 708469679 /nfs/dbraw/zinc/46/96/79/708469679.db2.gz BIQSGQWPDIRTSC-IRXDYDNUSA-N 2 1 331.460 1.680 20 0 EDADMP COc1ccc(C)cc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033659134 708470436 /nfs/dbraw/zinc/47/04/36/708470436.db2.gz BRMYZJPSYXUYPD-AEFFLSMTSA-N 2 1 345.487 1.988 20 0 EDADMP COc1ccc(C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033659134 708470439 /nfs/dbraw/zinc/47/04/39/708470439.db2.gz BRMYZJPSYXUYPD-AEFFLSMTSA-N 2 1 345.487 1.988 20 0 EDADMP COc1ccc(C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033659134 708470441 /nfs/dbraw/zinc/47/04/41/708470441.db2.gz BRMYZJPSYXUYPD-AEFFLSMTSA-N 2 1 345.487 1.988 20 0 EDADMP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001002121830 708635756 /nfs/dbraw/zinc/63/57/56/708635756.db2.gz VZIXLCNJKPHEMK-HNNXBMFYSA-N 2 1 336.505 1.731 20 0 EDADMP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC001002121830 708635760 /nfs/dbraw/zinc/63/57/60/708635760.db2.gz VZIXLCNJKPHEMK-HNNXBMFYSA-N 2 1 336.505 1.731 20 0 EDADMP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001002122071 708636489 /nfs/dbraw/zinc/63/64/89/708636489.db2.gz XXOAUVSFZOXVNO-SFHVURJKSA-N 2 1 345.487 1.975 20 0 EDADMP CCn1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001002128114 708644807 /nfs/dbraw/zinc/64/48/07/708644807.db2.gz UPBSTRBAIFRYMF-INIZCTEOSA-N 2 1 333.480 1.183 20 0 EDADMP CCn1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001002128114 708644812 /nfs/dbraw/zinc/64/48/12/708644812.db2.gz UPBSTRBAIFRYMF-INIZCTEOSA-N 2 1 333.480 1.183 20 0 EDADMP CCN(C(=O)[C@@H]1CN(C)CCO1)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033789377 708699885 /nfs/dbraw/zinc/69/98/85/708699885.db2.gz NVWGZKWDDKVTAZ-CABCVRRESA-N 2 1 345.434 1.285 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000921884236 708787308 /nfs/dbraw/zinc/78/73/08/708787308.db2.gz KDUOVFLCCSVAEE-JLSDUUJJSA-N 2 1 346.475 1.145 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000921884236 708787312 /nfs/dbraw/zinc/78/73/12/708787312.db2.gz KDUOVFLCCSVAEE-JLSDUUJJSA-N 2 1 346.475 1.145 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000921884236 708787316 /nfs/dbraw/zinc/78/73/16/708787316.db2.gz KDUOVFLCCSVAEE-JLSDUUJJSA-N 2 1 346.475 1.145 20 0 EDADMP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005382985 708817595 /nfs/dbraw/zinc/81/75/95/708817595.db2.gz FQJGYFAIEMFSPY-DOTOQJQBSA-N 2 1 325.497 1.817 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001033833022 708857203 /nfs/dbraw/zinc/85/72/03/708857203.db2.gz CSYDJLHJRMGPGC-BFYDXBDKSA-N 2 1 334.464 1.746 20 0 EDADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001033833022 708857206 /nfs/dbraw/zinc/85/72/06/708857206.db2.gz CSYDJLHJRMGPGC-BFYDXBDKSA-N 2 1 334.464 1.746 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033833022 708857208 /nfs/dbraw/zinc/85/72/08/708857208.db2.gz CSYDJLHJRMGPGC-BFYDXBDKSA-N 2 1 334.464 1.746 20 0 EDADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033833022 708857211 /nfs/dbraw/zinc/85/72/11/708857211.db2.gz CSYDJLHJRMGPGC-BFYDXBDKSA-N 2 1 334.464 1.746 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[NH+](CCOC)C2)C1 ZINC001033932627 709090559 /nfs/dbraw/zinc/09/05/59/709090559.db2.gz QKRVTQPKSAYJEF-DLBZAZTESA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC001033932627 709090560 /nfs/dbraw/zinc/09/05/60/709090560.db2.gz QKRVTQPKSAYJEF-DLBZAZTESA-N 2 1 325.497 1.678 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC001033932627 709090562 /nfs/dbraw/zinc/09/05/62/709090562.db2.gz QKRVTQPKSAYJEF-DLBZAZTESA-N 2 1 325.497 1.678 20 0 EDADMP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC3CCC4(CC4)CC3)CC2)C1 ZINC001002535119 709092836 /nfs/dbraw/zinc/09/28/36/709092836.db2.gz PPZQPVGONYDXLM-SFHVURJKSA-N 2 1 349.519 1.868 20 0 EDADMP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC3CCC4(CC4)CC3)CC2)C1 ZINC001002535119 709092839 /nfs/dbraw/zinc/09/28/39/709092839.db2.gz PPZQPVGONYDXLM-SFHVURJKSA-N 2 1 349.519 1.868 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001005476592 709113854 /nfs/dbraw/zinc/11/38/54/709113854.db2.gz OFFXNIFNNIYNFI-SFHVURJKSA-N 2 1 347.507 1.717 20 0 EDADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001033941602 709148287 /nfs/dbraw/zinc/14/82/87/709148287.db2.gz QSQZMCRMCONYTN-FUHWJXTLSA-N 2 1 337.508 1.678 20 0 EDADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034004686 709244361 /nfs/dbraw/zinc/24/43/61/709244361.db2.gz PJVFJQZDVKKNFX-RDJZCZTQSA-N 2 1 325.497 1.410 20 0 EDADMP C[C@@]12CN(C(=O)[C@@H]3CCC[NH2+]C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702083429 709329387 /nfs/dbraw/zinc/32/93/87/709329387.db2.gz XFWIYZXSVUTAIT-WSTZPKSXSA-N 2 1 327.472 1.967 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cn1 ZINC001002835486 709447292 /nfs/dbraw/zinc/44/72/92/709447292.db2.gz XXDUQEZPJMROOJ-SFHVURJKSA-N 2 1 343.475 1.207 20 0 EDADMP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001002851500 709461976 /nfs/dbraw/zinc/46/19/76/709461976.db2.gz JDUXTUZHUVOMTP-SJLPKXTDSA-N 2 1 347.507 1.421 20 0 EDADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCC3CCOCC3)CC2)CC[N@H+]1C ZINC001002851944 709462020 /nfs/dbraw/zinc/46/20/20/709462020.db2.gz MGDYPZASIRPMHK-CRAIPNDOSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cc(N(C)[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061180796 709479261 /nfs/dbraw/zinc/47/92/61/709479261.db2.gz UGFBHKBTHPZJSF-HZPDHXFCSA-N 2 1 331.464 1.615 20 0 EDADMP Cc1cc(N(C)[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061180796 709479264 /nfs/dbraw/zinc/47/92/64/709479264.db2.gz UGFBHKBTHPZJSF-HZPDHXFCSA-N 2 1 331.464 1.615 20 0 EDADMP Cc1nocc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034206641 709552564 /nfs/dbraw/zinc/55/25/64/709552564.db2.gz DLGJXAOZEAYRRP-ROUUACIJSA-N 2 1 346.475 1.796 20 0 EDADMP Cc1nocc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034206641 709552566 /nfs/dbraw/zinc/55/25/66/709552566.db2.gz DLGJXAOZEAYRRP-ROUUACIJSA-N 2 1 346.475 1.796 20 0 EDADMP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000702403849 709553610 /nfs/dbraw/zinc/55/36/10/709553610.db2.gz WKSRLCOGKGMXPV-ROUUACIJSA-N 2 1 344.503 1.294 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCN([C@@H](C)c2nnc(C)o2)CC1 ZINC001002953802 709653947 /nfs/dbraw/zinc/65/39/47/709653947.db2.gz CQNSHAGVZGYEMA-XJKSGUPXSA-N 2 1 349.479 1.894 20 0 EDADMP Cn1ccc(-c2nc(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)cs2)n1 ZINC000922099526 709677040 /nfs/dbraw/zinc/67/70/40/709677040.db2.gz QJBQUNJVKPSSCM-UHFFFAOYSA-N 2 1 348.520 1.659 20 0 EDADMP Cn1ccc(-c2nc(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)cs2)n1 ZINC000922099526 709677045 /nfs/dbraw/zinc/67/70/45/709677045.db2.gz QJBQUNJVKPSSCM-UHFFFAOYSA-N 2 1 348.520 1.659 20 0 EDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC000702601985 709699192 /nfs/dbraw/zinc/69/91/92/709699192.db2.gz FCHRDBQFZHWVOT-DCGLDWPTSA-N 2 1 327.469 1.334 20 0 EDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC000702601985 709699195 /nfs/dbraw/zinc/69/91/95/709699195.db2.gz FCHRDBQFZHWVOT-DCGLDWPTSA-N 2 1 327.469 1.334 20 0 EDADMP Cn1nccc1C[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034291308 709716687 /nfs/dbraw/zinc/71/66/87/709716687.db2.gz SZKJCRYKUXWOLX-MRXNPFEDSA-N 2 1 345.491 1.519 20 0 EDADMP Cn1nccc1C[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034291308 709716688 /nfs/dbraw/zinc/71/66/88/709716688.db2.gz SZKJCRYKUXWOLX-MRXNPFEDSA-N 2 1 345.491 1.519 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CCc2ccns2)C1 ZINC001034310657 709754683 /nfs/dbraw/zinc/75/46/83/709754683.db2.gz ZVUDZYGGNZZLEJ-HNNXBMFYSA-N 2 1 347.488 1.861 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CCc2ccns2)C1 ZINC001034310657 709754686 /nfs/dbraw/zinc/75/46/86/709754686.db2.gz ZVUDZYGGNZZLEJ-HNNXBMFYSA-N 2 1 347.488 1.861 20 0 EDADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034368801 709853721 /nfs/dbraw/zinc/85/37/21/709853721.db2.gz QBXJBBTZBBTDBR-DLBZAZTESA-N 2 1 325.497 1.462 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCCO)C2)C1 ZINC001034368801 709853725 /nfs/dbraw/zinc/85/37/25/709853725.db2.gz QBXJBBTZBBTDBR-DLBZAZTESA-N 2 1 325.497 1.462 20 0 EDADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCCO)C2)C1 ZINC001034368801 709853729 /nfs/dbraw/zinc/85/37/29/709853729.db2.gz QBXJBBTZBBTDBR-DLBZAZTESA-N 2 1 325.497 1.462 20 0 EDADMP COC[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC001034364490 709884278 /nfs/dbraw/zinc/88/42/78/709884278.db2.gz KPTVAOMMZXZCQN-ZBFHGGJFSA-N 2 1 337.464 1.960 20 0 EDADMP COC[C@@H](C)[N@@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364490 709884283 /nfs/dbraw/zinc/88/42/83/709884283.db2.gz KPTVAOMMZXZCQN-ZBFHGGJFSA-N 2 1 337.464 1.960 20 0 EDADMP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC[C@H]3CCCO3)C2)CC1 ZINC001034386024 709914224 /nfs/dbraw/zinc/91/42/24/709914224.db2.gz PBHHAEDRVKIHQR-ZWKOTPCHSA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CCc3ccnn3C)C2)C1 ZINC001034393888 709929054 /nfs/dbraw/zinc/92/90/54/709929054.db2.gz HHWNUAPCVVHEMU-SJORKVTESA-N 2 1 347.507 1.275 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCc3ccnn3C)C2)C1 ZINC001034393888 709929056 /nfs/dbraw/zinc/92/90/56/709929056.db2.gz HHWNUAPCVVHEMU-SJORKVTESA-N 2 1 347.507 1.275 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCc3ccnn3C)C2)C1 ZINC001034393888 709929061 /nfs/dbraw/zinc/92/90/61/709929061.db2.gz HHWNUAPCVVHEMU-SJORKVTESA-N 2 1 347.507 1.275 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1)C2 ZINC001034394120 709929737 /nfs/dbraw/zinc/92/97/37/709929737.db2.gz JNPYOCAKWGNUTJ-HZPDHXFCSA-N 2 1 334.464 1.107 20 0 EDADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1)C2 ZINC001034394120 709929738 /nfs/dbraw/zinc/92/97/38/709929738.db2.gz JNPYOCAKWGNUTJ-HZPDHXFCSA-N 2 1 334.464 1.107 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCCN(Cc3ccn(C)n3)C2)C1 ZINC001034396713 709935875 /nfs/dbraw/zinc/93/58/75/709935875.db2.gz GLDUJZUQZLRPNY-CVEARBPZSA-N 2 1 333.480 1.233 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)on1 ZINC001034398478 709940551 /nfs/dbraw/zinc/94/05/51/709940551.db2.gz NUTQUOKFFMJBCD-CVEARBPZSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)on1 ZINC001034398478 709940553 /nfs/dbraw/zinc/94/05/53/709940553.db2.gz NUTQUOKFFMJBCD-CVEARBPZSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)on1 ZINC001034398478 709940556 /nfs/dbraw/zinc/94/05/56/709940556.db2.gz NUTQUOKFFMJBCD-CVEARBPZSA-N 2 1 334.464 1.938 20 0 EDADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)on1 ZINC001034398478 709940561 /nfs/dbraw/zinc/94/05/61/709940561.db2.gz NUTQUOKFFMJBCD-CVEARBPZSA-N 2 1 334.464 1.938 20 0 EDADMP COC[C@H](C)[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400249 709943107 /nfs/dbraw/zinc/94/31/07/709943107.db2.gz XEVDONHFWQVIFD-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP COC[C@H](C)[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034400249 709943111 /nfs/dbraw/zinc/94/31/11/709943111.db2.gz XEVDONHFWQVIFD-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP COC[C@H](C)[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034400249 709943114 /nfs/dbraw/zinc/94/31/14/709943114.db2.gz XEVDONHFWQVIFD-HOTGVXAUSA-N 2 1 325.497 1.724 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001003144818 710041348 /nfs/dbraw/zinc/04/13/48/710041348.db2.gz JXNSCHSTUMSKPW-FUHWJXTLSA-N 2 1 345.491 1.518 20 0 EDADMP Cn1nccc1C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001003144818 710041353 /nfs/dbraw/zinc/04/13/53/710041353.db2.gz JXNSCHSTUMSKPW-FUHWJXTLSA-N 2 1 345.491 1.518 20 0 EDADMP C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478867 710087667 /nfs/dbraw/zinc/08/76/67/710087667.db2.gz PMEZMDUYZDJNEB-MAUKXSAKSA-N 2 1 337.508 1.460 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034489629 710107138 /nfs/dbraw/zinc/10/71/38/710107138.db2.gz HOJGSTYUUNXLIE-HOTGVXAUSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001034489629 710107143 /nfs/dbraw/zinc/10/71/43/710107143.db2.gz HOJGSTYUUNXLIE-HOTGVXAUSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034489629 710107148 /nfs/dbraw/zinc/10/71/48/710107148.db2.gz HOJGSTYUUNXLIE-HOTGVXAUSA-N 2 1 334.464 1.796 20 0 EDADMP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034489629 710107153 /nfs/dbraw/zinc/10/71/53/710107153.db2.gz HOJGSTYUUNXLIE-HOTGVXAUSA-N 2 1 334.464 1.796 20 0 EDADMP O=C(N[C@H]1CCCC[N@@H+](C[C@@H]2CCCCO2)C1)C12CC[NH+](CC1)C2 ZINC001034490400 710109365 /nfs/dbraw/zinc/10/93/65/710109365.db2.gz ISURGWHIEWDLOO-IRXDYDNUSA-N 2 1 335.492 1.622 20 0 EDADMP O=C(N[C@@H]1CCCC[N@@H+](CC[C@@H]2CCCO2)C1)C12CC[NH+](CC1)C2 ZINC001034488340 710137470 /nfs/dbraw/zinc/13/74/70/710137470.db2.gz UJQOCZKLTYXQMA-SJORKVTESA-N 2 1 335.492 1.622 20 0 EDADMP COc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)on1 ZINC001034526604 710179302 /nfs/dbraw/zinc/17/93/02/710179302.db2.gz ZQNCQEVMRNNXBL-KBPBESRZSA-N 2 1 336.436 1.106 20 0 EDADMP COc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)on1 ZINC001034526604 710179305 /nfs/dbraw/zinc/17/93/05/710179305.db2.gz ZQNCQEVMRNNXBL-KBPBESRZSA-N 2 1 336.436 1.106 20 0 EDADMP COc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)on1 ZINC001034526604 710179308 /nfs/dbraw/zinc/17/93/08/710179308.db2.gz ZQNCQEVMRNNXBL-KBPBESRZSA-N 2 1 336.436 1.106 20 0 EDADMP COc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001034526604 710179311 /nfs/dbraw/zinc/17/93/11/710179311.db2.gz ZQNCQEVMRNNXBL-KBPBESRZSA-N 2 1 336.436 1.106 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)o1 ZINC001034545771 710219357 /nfs/dbraw/zinc/21/93/57/710219357.db2.gz XMWMQFHRKUOIGU-OAHLLOKOSA-N 2 1 337.464 1.698 20 0 EDADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001003331921 710256574 /nfs/dbraw/zinc/25/65/74/710256574.db2.gz JAKMFSAKFQYWBG-IPCDKGFNSA-N 2 1 347.503 1.620 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001034646818 710323365 /nfs/dbraw/zinc/32/33/65/710323365.db2.gz WTUKHODBBSXMSC-BRWVUGGUSA-N 2 1 348.495 1.168 20 0 EDADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC001034647527 710323983 /nfs/dbraw/zinc/32/39/83/710323983.db2.gz KAFPXZVPBFAQSC-BQJWPVKWSA-N 2 1 345.491 1.895 20 0 EDADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001034648174 710324971 /nfs/dbraw/zinc/32/49/71/710324971.db2.gz ZFMJQKKCXXFOIA-MWQQHZPXSA-N 2 1 333.480 1.277 20 0 EDADMP CC[C@H](C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1)OC ZINC001003491395 710374056 /nfs/dbraw/zinc/37/40/56/710374056.db2.gz DRSLSQKXBILMLB-YQQAZPJKSA-N 2 1 325.497 1.722 20 0 EDADMP Cc1ccc(NCCNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)[nH+]c1 ZINC000922200590 710409943 /nfs/dbraw/zinc/40/99/43/710409943.db2.gz DMVJSNBRFGIHFE-INIZCTEOSA-N 2 1 349.479 1.602 20 0 EDADMP Cc1ccc(NCCNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)[nH+]c1 ZINC000922200590 710409944 /nfs/dbraw/zinc/40/99/44/710409944.db2.gz DMVJSNBRFGIHFE-INIZCTEOSA-N 2 1 349.479 1.602 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001003625637 710454675 /nfs/dbraw/zinc/45/46/75/710454675.db2.gz HXXHELPNHBJJRO-GOEBONIOSA-N 2 1 345.491 1.768 20 0 EDADMP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001003625637 710454677 /nfs/dbraw/zinc/45/46/77/710454677.db2.gz HXXHELPNHBJJRO-GOEBONIOSA-N 2 1 345.491 1.768 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003625420 710454803 /nfs/dbraw/zinc/45/48/03/710454803.db2.gz GAMMGGUDPSXXJV-GFCCVEGCSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1nnsc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003625420 710454804 /nfs/dbraw/zinc/45/48/04/710454804.db2.gz GAMMGGUDPSXXJV-GFCCVEGCSA-N 2 1 337.493 1.269 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)cn1 ZINC001003627631 710457956 /nfs/dbraw/zinc/45/79/56/710457956.db2.gz HOAWGLKYWVCIOV-OAHLLOKOSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1cnc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)cn1 ZINC001003627631 710457958 /nfs/dbraw/zinc/45/79/58/710457958.db2.gz HOAWGLKYWVCIOV-OAHLLOKOSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1ncc(C[NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)o1 ZINC001003740465 710520407 /nfs/dbraw/zinc/52/04/07/710520407.db2.gz KRCHOQJIHNFTIF-UHFFFAOYSA-N 2 1 334.464 1.796 20 0 EDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cn(C)nn2)CC1 ZINC001034658855 710587605 /nfs/dbraw/zinc/58/76/05/710587605.db2.gz JQMGKSRAIOISHF-ZOBUZTSGSA-N 2 1 348.495 1.207 20 0 EDADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CC2CCOCC2)CC1 ZINC001005589537 710643741 /nfs/dbraw/zinc/64/37/41/710643741.db2.gz RBXHKSWAVZANRC-SFHVURJKSA-N 2 1 337.508 1.820 20 0 EDADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001005594472 710655712 /nfs/dbraw/zinc/65/57/12/710655712.db2.gz ZLBBVTRQDUDJRS-FUHWJXTLSA-N 2 1 337.508 1.820 20 0 EDADMP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC001034721695 710874164 /nfs/dbraw/zinc/87/41/64/710874164.db2.gz QKKQUSOYMGVWQS-DAXOMENPSA-N 2 1 349.479 1.798 20 0 EDADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1 ZINC001034734668 710917367 /nfs/dbraw/zinc/91/73/67/710917367.db2.gz UYMIGIBQBMXKKI-RZLSGREXSA-N 2 1 336.505 1.858 20 0 EDADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)ncn1 ZINC001034734879 710917640 /nfs/dbraw/zinc/91/76/40/710917640.db2.gz BECVJINWIUSWEN-BRWVUGGUSA-N 2 1 345.491 1.786 20 0 EDADMP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001034736229 710922998 /nfs/dbraw/zinc/92/29/98/710922998.db2.gz TVEBWXCYVICGTI-ULQDDVLXSA-N 2 1 347.507 1.904 20 0 EDADMP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034738874 710932097 /nfs/dbraw/zinc/93/20/97/710932097.db2.gz WXUGHYVBMCWRLF-NMFUWQPSSA-N 2 1 335.452 1.093 20 0 EDADMP CCc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001034793364 711123716 /nfs/dbraw/zinc/12/37/16/711123716.db2.gz YFIHWOOCVPEXBF-XGUBFFRZSA-N 2 1 348.495 1.397 20 0 EDADMP C[N@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]C[C@H]3CCCOC3)cc2)C1 ZINC001034830778 711236795 /nfs/dbraw/zinc/23/67/95/711236795.db2.gz DJZGSUAXXFHBQH-MOPGFXCFSA-N 2 1 345.487 1.771 20 0 EDADMP CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC[NH+](CC2CC2)CC1 ZINC001005743174 711367770 /nfs/dbraw/zinc/36/77/70/711367770.db2.gz XPMPSAXEHXEXIR-URSIVYNOSA-N 2 1 333.476 1.182 20 0 EDADMP Cc1cnc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)cn1 ZINC001034957913 711430731 /nfs/dbraw/zinc/43/07/31/711430731.db2.gz PLFGAFPLUDFZNP-DOTOQJQBSA-N 2 1 345.491 1.911 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034939578 711442238 /nfs/dbraw/zinc/44/22/38/711442238.db2.gz GSPLPKHXVBIQOH-BZUAXINKSA-N 2 1 348.495 1.280 20 0 EDADMP CC(C)n1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034939578 711442240 /nfs/dbraw/zinc/44/22/40/711442240.db2.gz GSPLPKHXVBIQOH-BZUAXINKSA-N 2 1 348.495 1.280 20 0 EDADMP CC(C)n1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001034939904 711442671 /nfs/dbraw/zinc/44/26/71/711442671.db2.gz QTMMLYSIHNUVBY-KBAYOESNSA-N 2 1 347.507 1.885 20 0 EDADMP Cc1cccnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001034971221 711451030 /nfs/dbraw/zinc/45/10/30/711451030.db2.gz GKEVGWDIVYWHQK-JFIYKMOQSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1cccnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001034971221 711451035 /nfs/dbraw/zinc/45/10/35/711451035.db2.gz GKEVGWDIVYWHQK-JFIYKMOQSA-N 2 1 346.475 1.190 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCC[N@H+]2C)nc1 ZINC001034972226 711451850 /nfs/dbraw/zinc/45/18/50/711451850.db2.gz CVHVIPLTBCOSQX-HZPDHXFCSA-N 2 1 331.464 1.350 20 0 EDADMP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCC[N@@H+]2C)nc1 ZINC001034972226 711451854 /nfs/dbraw/zinc/45/18/54/711451854.db2.gz CVHVIPLTBCOSQX-HZPDHXFCSA-N 2 1 331.464 1.350 20 0 EDADMP Cn1nccc1[C@H]1[C@H](CNC(=O)NCC2([NH+](C)C)CC2)CCC[N@H+]1C ZINC000922414680 711489599 /nfs/dbraw/zinc/48/95/99/711489599.db2.gz XORIGVIZKNCQGD-GOEBONIOSA-N 2 1 348.495 1.196 20 0 EDADMP CN(C)c1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001004142079 711542056 /nfs/dbraw/zinc/54/20/56/711542056.db2.gz HCDMZJIQDMKDQQ-KRWDZBQOSA-N 2 1 344.503 1.785 20 0 EDADMP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001004153240 711550749 /nfs/dbraw/zinc/55/07/49/711550749.db2.gz YLEBZRPAWDXUNS-UHFFFAOYSA-N 2 1 330.436 1.014 20 0 EDADMP CCc1onc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004149512 711563388 /nfs/dbraw/zinc/56/33/88/711563388.db2.gz KIGOTFGUPHTHCG-CQSZACIVSA-N 2 1 334.464 1.578 20 0 EDADMP CO[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C1CCCC1 ZINC001004149971 711564708 /nfs/dbraw/zinc/56/47/08/711564708.db2.gz PJEBGHRVZAQNCW-AEFFLSMTSA-N 2 1 337.508 1.724 20 0 EDADMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cnn(C)c3)C2)C1 ZINC001033143498 711952546 /nfs/dbraw/zinc/95/25/46/711952546.db2.gz GLJDCZLOCADJPZ-QZTJIDSGSA-N 2 1 347.507 1.431 20 0 EDADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cnn(C)c3)C2)C1 ZINC001033143498 711952548 /nfs/dbraw/zinc/95/25/48/711952548.db2.gz GLJDCZLOCADJPZ-QZTJIDSGSA-N 2 1 347.507 1.431 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)C1 ZINC001033143498 711952550 /nfs/dbraw/zinc/95/25/50/711952550.db2.gz GLJDCZLOCADJPZ-QZTJIDSGSA-N 2 1 347.507 1.431 20 0 EDADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)C1 ZINC001033143498 711952552 /nfs/dbraw/zinc/95/25/52/711952552.db2.gz GLJDCZLOCADJPZ-QZTJIDSGSA-N 2 1 347.507 1.431 20 0 EDADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946631426 712017563 /nfs/dbraw/zinc/01/75/63/712017563.db2.gz GUUOAGZCICFJTQ-KSZLIROESA-N 2 1 337.508 1.414 20 0 EDADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946631426 712017565 /nfs/dbraw/zinc/01/75/65/712017565.db2.gz GUUOAGZCICFJTQ-KSZLIROESA-N 2 1 337.508 1.414 20 0 EDADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946631426 712017567 /nfs/dbraw/zinc/01/75/67/712017567.db2.gz GUUOAGZCICFJTQ-KSZLIROESA-N 2 1 337.508 1.414 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CCF)CC2)C1 ZINC001004618034 712078275 /nfs/dbraw/zinc/07/82/75/712078275.db2.gz AMEDEVKZXGVSPP-SJORKVTESA-N 2 1 341.471 1.380 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CCF)CC2)C1 ZINC001004618034 712078276 /nfs/dbraw/zinc/07/82/76/712078276.db2.gz AMEDEVKZXGVSPP-SJORKVTESA-N 2 1 341.471 1.380 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CCF)CC2)C1 ZINC001004618034 712078278 /nfs/dbraw/zinc/07/82/78/712078278.db2.gz AMEDEVKZXGVSPP-SJORKVTESA-N 2 1 341.471 1.380 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CCF)CC2)C1 ZINC001004618034 712078279 /nfs/dbraw/zinc/07/82/79/712078279.db2.gz AMEDEVKZXGVSPP-SJORKVTESA-N 2 1 341.471 1.380 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000557670269 306232880 /nfs/dbraw/zinc/23/28/80/306232880.db2.gz USNUMOVLGVCTNR-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000557670269 306232881 /nfs/dbraw/zinc/23/28/81/306232881.db2.gz USNUMOVLGVCTNR-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000557670269 306232882 /nfs/dbraw/zinc/23/28/82/306232882.db2.gz USNUMOVLGVCTNR-IEBWSBKVSA-N 2 1 345.487 1.736 20 0 EDADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000557737462 306233629 /nfs/dbraw/zinc/23/36/29/306233629.db2.gz ZDZREBMOAUUBFD-ZDUSSCGKSA-N 2 1 344.463 1.639 20 0 EDADMP CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000557737462 306233630 /nfs/dbraw/zinc/23/36/30/306233630.db2.gz ZDZREBMOAUUBFD-ZDUSSCGKSA-N 2 1 344.463 1.639 20 0 EDADMP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346852339 282271617 /nfs/dbraw/zinc/27/16/17/282271617.db2.gz XEKCDQRODQFMTN-UAGQMJEPSA-N 2 1 333.480 1.124 20 0 EDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000165838992 530069672 /nfs/dbraw/zinc/06/96/72/530069672.db2.gz QXBBEHSFDQIHKI-JKSUJKDBSA-N 2 1 344.459 1.530 20 0 EDADMP Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)nc(C)[nH+]1 ZINC000436442441 539571712 /nfs/dbraw/zinc/57/17/12/539571712.db2.gz OVBGLPQSQZITFA-KRWDZBQOSA-N 2 1 341.459 1.794 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)CC[NH+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000339233787 539701251 /nfs/dbraw/zinc/70/12/51/539701251.db2.gz KNRPOIQARUHHRA-ZACQAIPSSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)CC[N@@H+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000339233787 539701252 /nfs/dbraw/zinc/70/12/52/539701252.db2.gz KNRPOIQARUHHRA-ZACQAIPSSA-N 2 1 325.497 1.866 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)CC[N@H+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000339233787 539701254 /nfs/dbraw/zinc/70/12/54/539701254.db2.gz KNRPOIQARUHHRA-ZACQAIPSSA-N 2 1 325.497 1.866 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+](C)C(C)C)[N@@H+](C)C1 ZINC000343815723 539797136 /nfs/dbraw/zinc/79/71/36/539797136.db2.gz FJBWHIYJAXLPQO-ROUUACIJSA-N 2 1 333.476 1.862 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NCc2ccccc2C[N@H+](C)C(C)C)[NH+](C)C1 ZINC000343815723 539797138 /nfs/dbraw/zinc/79/71/38/539797138.db2.gz FJBWHIYJAXLPQO-ROUUACIJSA-N 2 1 333.476 1.862 20 0 EDADMP CO[C@H]1C[C@@H](C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)[NH+](C)C1 ZINC000343815723 539797141 /nfs/dbraw/zinc/79/71/41/539797141.db2.gz FJBWHIYJAXLPQO-ROUUACIJSA-N 2 1 333.476 1.862 20 0 EDADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000069030075 215354261 /nfs/dbraw/zinc/35/42/61/215354261.db2.gz AGCOTGHPDYTUFB-UHFFFAOYSA-N 2 1 331.460 1.978 20 0 EDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000154984226 539911479 /nfs/dbraw/zinc/91/14/79/539911479.db2.gz PQZSPDDLXVCTKE-QGZVFWFLSA-N 2 1 331.460 1.859 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)CC[N@@H+]1C ZINC000181502729 234209256 /nfs/dbraw/zinc/20/92/56/234209256.db2.gz WNHKINRDWYHKFT-STQMWFEESA-N 2 1 331.507 1.441 20 0 EDADMP C[C@H]1C[C@@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)CC[N@H+]1C ZINC000181502729 234209261 /nfs/dbraw/zinc/20/92/61/234209261.db2.gz WNHKINRDWYHKFT-STQMWFEESA-N 2 1 331.507 1.441 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412780755 304036767 /nfs/dbraw/zinc/03/67/67/304036767.db2.gz REXJHCFEOYIUJI-QGZVFWFLSA-N 2 1 331.460 1.224 20 0 EDADMP C[C@@H]1CN(C[C@H](O)CN2CC[N@H+](C)CC23CCCCC3)C[C@@H](C)O1 ZINC000495065670 540052919 /nfs/dbraw/zinc/05/29/19/540052919.db2.gz FTHLLLCNFINLSA-KURKYZTESA-N 2 1 339.524 1.407 20 0 EDADMP C[C@@H]1CN(C[C@H](O)CN2CC[N@@H+](C)CC23CCCCC3)C[C@@H](C)O1 ZINC000495065670 540052921 /nfs/dbraw/zinc/05/29/21/540052921.db2.gz FTHLLLCNFINLSA-KURKYZTESA-N 2 1 339.524 1.407 20 0 EDADMP C[C@H]1C[C@@H](N(C)C(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@H+]1C ZINC000369640565 291059364 /nfs/dbraw/zinc/05/93/64/291059364.db2.gz JWDXERCFRANXHZ-IRXDYDNUSA-N 2 1 337.508 1.963 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C[N@@H+]1C1CC1 ZINC000367941857 291069557 /nfs/dbraw/zinc/06/95/57/291069557.db2.gz MSQYKCSCUNQHGE-LSDHHAIUSA-N 2 1 345.491 1.466 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCn3ccnc3C2)C[N@H+]1C1CC1 ZINC000367941857 291069558 /nfs/dbraw/zinc/06/95/58/291069558.db2.gz MSQYKCSCUNQHGE-LSDHHAIUSA-N 2 1 345.491 1.466 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C[NH+]1C1CC1 ZINC000367941857 291069559 /nfs/dbraw/zinc/06/95/59/291069559.db2.gz MSQYKCSCUNQHGE-LSDHHAIUSA-N 2 1 345.491 1.466 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C[NH+]1C1CC1 ZINC000367941857 291069560 /nfs/dbraw/zinc/06/95/60/291069560.db2.gz MSQYKCSCUNQHGE-LSDHHAIUSA-N 2 1 345.491 1.466 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)[C@H]1c1ccccc1 ZINC000333781408 283123147 /nfs/dbraw/zinc/12/31/47/283123147.db2.gz KWPCYUXHRKBDSH-IXDOHACOSA-N 2 1 332.448 1.191 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C2CC2)C2CC2)C1 ZINC000050989122 138132992 /nfs/dbraw/zinc/13/29/92/138132992.db2.gz OXBOZVMCUGCTJW-QGZVFWFLSA-N 2 1 337.508 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C(C2CC2)C2CC2)C1 ZINC000050989122 138132994 /nfs/dbraw/zinc/13/29/94/138132994.db2.gz OXBOZVMCUGCTJW-QGZVFWFLSA-N 2 1 337.508 1.580 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C(C2CC2)C2CC2)C1 ZINC000050989122 138132997 /nfs/dbraw/zinc/13/29/97/138132997.db2.gz OXBOZVMCUGCTJW-QGZVFWFLSA-N 2 1 337.508 1.580 20 0 EDADMP O=S(=O)(C1CC1)N1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000090231565 138278294 /nfs/dbraw/zinc/27/82/94/138278294.db2.gz XDOYAXAPARLVOT-GJZGRUSLSA-N 2 1 327.494 1.159 20 0 EDADMP C[NH+]1CCC(CCNC(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)CC1 ZINC000090559997 138279648 /nfs/dbraw/zinc/27/96/48/138279648.db2.gz CDGNWDJOAKKWDD-SJORKVTESA-N 2 1 338.496 1.271 20 0 EDADMP C[NH+]1CCC(CCNC(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)CC1 ZINC000090559997 138279649 /nfs/dbraw/zinc/27/96/49/138279649.db2.gz CDGNWDJOAKKWDD-SJORKVTESA-N 2 1 338.496 1.271 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563585274 306340070 /nfs/dbraw/zinc/34/00/70/306340070.db2.gz HYOPXGQRTZKVJK-TWMKSMIVSA-N 2 1 336.480 1.166 20 0 EDADMP Cn1cc(N2CC[C@H]([NH+]3CCC(C[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000111218736 138307885 /nfs/dbraw/zinc/30/78/85/138307885.db2.gz WFTITSRKOOKSGH-KRWDZBQOSA-N 2 1 331.464 1.333 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123810386 138321594 /nfs/dbraw/zinc/32/15/94/138321594.db2.gz DRXUJPZXFQSOTC-BZUAXINKSA-N 2 1 334.464 1.358 20 0 EDADMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123810386 138321595 /nfs/dbraw/zinc/32/15/95/138321595.db2.gz DRXUJPZXFQSOTC-BZUAXINKSA-N 2 1 334.464 1.358 20 0 EDADMP CSCCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000125673451 138335476 /nfs/dbraw/zinc/33/54/76/138335476.db2.gz WHGCHFXIJMIXPN-XYPWUTKMSA-N 2 1 340.537 1.692 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+](C)C ZINC000132045669 138370875 /nfs/dbraw/zinc/37/08/75/138370875.db2.gz PNQZIGMFUVPJCO-JZXOWHBKSA-N 2 1 339.524 1.920 20 0 EDADMP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000356622238 283254079 /nfs/dbraw/zinc/25/40/79/283254079.db2.gz QAGRPZOHWRJZGJ-KRWDZBQOSA-N 2 1 325.497 1.822 20 0 EDADMP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000356622238 283254083 /nfs/dbraw/zinc/25/40/83/283254083.db2.gz QAGRPZOHWRJZGJ-KRWDZBQOSA-N 2 1 325.497 1.822 20 0 EDADMP C[NH+]1CCC(CNC(=O)[C@@H]2CCCCC[NH2+]2)(N2CCCCC2)CC1 ZINC000563813041 306348229 /nfs/dbraw/zinc/34/82/29/306348229.db2.gz IEWFKLKLBPKXLG-KRWDZBQOSA-N 2 1 336.524 1.585 20 0 EDADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000563949923 306353125 /nfs/dbraw/zinc/35/31/25/306353125.db2.gz YHEIBYDRYRBBEL-SFHVURJKSA-N 2 1 345.491 1.782 20 0 EDADMP C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)C2)C1 ZINC000564116411 306356029 /nfs/dbraw/zinc/35/60/29/306356029.db2.gz TZYLCRYOOVJXSI-SFHVURJKSA-N 2 1 332.448 1.828 20 0 EDADMP C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)C2)C1 ZINC000564116411 306356030 /nfs/dbraw/zinc/35/60/30/306356030.db2.gz TZYLCRYOOVJXSI-SFHVURJKSA-N 2 1 332.448 1.828 20 0 EDADMP CCN1CCC([NH+]2CCC(C(=O)NCC3=CC[N@@H+](C)CC3)CC2)CC1 ZINC000565195523 306377352 /nfs/dbraw/zinc/37/73/52/306377352.db2.gz RUJXUUISOIHKMS-UHFFFAOYSA-N 2 1 348.535 1.561 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3=CC[N@H+](C)CC3)CC2)CC1 ZINC000565195523 306377353 /nfs/dbraw/zinc/37/73/53/306377353.db2.gz RUJXUUISOIHKMS-UHFFFAOYSA-N 3 1 348.535 1.561 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3=CC[N@@H+](C)CC3)CC2)CC1 ZINC000565195523 306377354 /nfs/dbraw/zinc/37/73/54/306377354.db2.gz RUJXUUISOIHKMS-UHFFFAOYSA-N 3 1 348.535 1.561 20 0 EDADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000566092518 306398571 /nfs/dbraw/zinc/39/85/71/306398571.db2.gz HGMQEVSUZWPVRT-CJNGLKHVSA-N 2 1 341.477 1.477 20 0 EDADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000414708405 304130749 /nfs/dbraw/zinc/13/07/49/304130749.db2.gz QHGVXHDRJYKFIL-KGLIPLIRSA-N 2 1 332.448 1.320 20 0 EDADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C12CCC[NH+]1CCC2 ZINC000365978060 284008317 /nfs/dbraw/zinc/00/83/17/284008317.db2.gz KRMQWHSHELKTSR-GOSISDBHSA-N 2 1 343.471 1.498 20 0 EDADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C[NH2+]CC)c2)C1 ZINC000414748853 304137121 /nfs/dbraw/zinc/13/71/21/304137121.db2.gz VDYIDHOLYZJMIZ-MRXNPFEDSA-N 2 1 346.475 1.583 20 0 EDADMP CCNC(=O)COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000415066161 304156125 /nfs/dbraw/zinc/15/61/25/304156125.db2.gz OAHABTQMQRNLSF-INIZCTEOSA-N 2 1 349.475 1.817 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000415137094 304163104 /nfs/dbraw/zinc/16/31/04/304163104.db2.gz DVGMERROUFWEDX-CJNGLKHVSA-N 2 1 330.432 1.040 20 0 EDADMP CC(C)[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000236659940 139027840 /nfs/dbraw/zinc/02/78/40/139027840.db2.gz ZBGKDJIXTCCGOA-RDJZCZTQSA-N 2 1 325.497 1.485 20 0 EDADMP CC[C@H](NC(=O)C[NH2+]CCOC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237002736 139037766 /nfs/dbraw/zinc/03/77/66/139037766.db2.gz FSXFUHAUUJUNJV-ZWKOTPCHSA-N 2 1 349.475 1.018 20 0 EDADMP CC[C@H](NC(=O)C[NH2+]CCOC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237002736 139037767 /nfs/dbraw/zinc/03/77/67/139037767.db2.gz FSXFUHAUUJUNJV-ZWKOTPCHSA-N 2 1 349.475 1.018 20 0 EDADMP C[NH+]1CCN([C@@H](C(=O)NC[C@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000237229533 139045025 /nfs/dbraw/zinc/04/50/25/139045025.db2.gz YGYXECYQBXQMHR-FUHWJXTLSA-N 2 1 330.476 1.091 20 0 EDADMP C[C@H](c1ccc(NC(=O)NC[C@@H]([NH3+])C2CC2)cc1)[NH+]1CCOCC1 ZINC000415189461 304172996 /nfs/dbraw/zinc/17/29/96/304172996.db2.gz WITFDXLDNPKRDD-CXAGYDPISA-N 2 1 332.448 1.939 20 0 EDADMP [NH3+]C1(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCCCC1 ZINC000237930573 139064216 /nfs/dbraw/zinc/06/42/16/139064216.db2.gz YFWBIWYDICEBRP-UHFFFAOYSA-N 2 1 331.460 1.797 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000111791017 220189961 /nfs/dbraw/zinc/18/99/61/220189961.db2.gz UQJVXYFSSAWDHQ-UHFFFAOYSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@@H](CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[N@@H+](C)C1CC1 ZINC000081338857 217384854 /nfs/dbraw/zinc/38/48/54/217384854.db2.gz IJAVANLPJYVAOJ-INIZCTEOSA-N 2 1 344.503 1.647 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000415233494 304177355 /nfs/dbraw/zinc/17/73/55/304177355.db2.gz SFOHBEICRKUYIS-AWEZNQCLSA-N 2 1 332.448 1.287 20 0 EDADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000415233494 304177356 /nfs/dbraw/zinc/17/73/56/304177356.db2.gz SFOHBEICRKUYIS-AWEZNQCLSA-N 2 1 332.448 1.287 20 0 EDADMP CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000245461263 139075812 /nfs/dbraw/zinc/07/58/12/139075812.db2.gz MVCBRYZNIHJRCZ-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000245461263 139075813 /nfs/dbraw/zinc/07/58/13/139075813.db2.gz MVCBRYZNIHJRCZ-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CC[C@H](CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000245461263 139075814 /nfs/dbraw/zinc/07/58/14/139075814.db2.gz MVCBRYZNIHJRCZ-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP CC[NH+]1CC[C@H](CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000245461263 139075815 /nfs/dbraw/zinc/07/58/15/139075815.db2.gz MVCBRYZNIHJRCZ-MOPGFXCFSA-N 2 1 345.487 1.736 20 0 EDADMP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000567677904 306458667 /nfs/dbraw/zinc/45/86/67/306458667.db2.gz DNYRMNIUEJUSAD-QGZVFWFLSA-N 2 1 346.431 1.570 20 0 EDADMP CC[N@H+]1CC[C@@H](NCc2cccnc2N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246987165 139129845 /nfs/dbraw/zinc/12/98/45/139129845.db2.gz KMFPHCPPAPDKFB-FUHWJXTLSA-N 2 1 331.508 1.653 20 0 EDADMP C[C@H](C(=O)Nc1ncccn1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247000992 139130767 /nfs/dbraw/zinc/13/07/67/139130767.db2.gz WWTOJCVFMJXCKB-YCPHGPKFSA-N 2 1 329.448 1.752 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000247253437 139142651 /nfs/dbraw/zinc/14/26/51/139142651.db2.gz PUXHSMJNQWNUMG-IRXDYDNUSA-N 2 1 340.512 1.326 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000247253437 139142652 /nfs/dbraw/zinc/14/26/52/139142652.db2.gz PUXHSMJNQWNUMG-IRXDYDNUSA-N 2 1 340.512 1.326 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000247253437 139142653 /nfs/dbraw/zinc/14/26/53/139142653.db2.gz PUXHSMJNQWNUMG-IRXDYDNUSA-N 2 1 340.512 1.326 20 0 EDADMP C[N@H+]1CCC[C@H]2CN(CC(=O)Nc3ccccc3C(N)=O)CC[C@H]21 ZINC000247273424 139143219 /nfs/dbraw/zinc/14/32/19/139143219.db2.gz SJNUDQWHQNFHKW-XJKSGUPXSA-N 2 1 330.432 1.140 20 0 EDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])cc2)C1 ZINC000415379310 304208915 /nfs/dbraw/zinc/20/89/15/304208915.db2.gz JDSQTSAIZBMFAV-CQSZACIVSA-N 2 1 346.475 1.711 20 0 EDADMP COC1(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC[NH2+]CC1 ZINC000167681739 284678298 /nfs/dbraw/zinc/67/82/98/284678298.db2.gz NKRMXWJQGIPROA-OAHLLOKOSA-N 2 1 347.459 1.787 20 0 EDADMP [NH3+]Cc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000568728961 306487514 /nfs/dbraw/zinc/48/75/14/306487514.db2.gz NDWUIVBMQIEOOP-IRXDYDNUSA-N 2 1 332.448 1.910 20 0 EDADMP C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000248766210 139174833 /nfs/dbraw/zinc/17/48/33/139174833.db2.gz GXQYXCQTXMESIO-ZHALLVOQSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000248766210 139174834 /nfs/dbraw/zinc/17/48/34/139174834.db2.gz GXQYXCQTXMESIO-ZHALLVOQSA-N 2 1 344.503 1.259 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249564142 139195584 /nfs/dbraw/zinc/19/55/84/139195584.db2.gz MNINLTXBGIULSK-PSBWJHGTSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](O)[C@H](C)C1 ZINC000249564142 139195585 /nfs/dbraw/zinc/19/55/85/139195585.db2.gz MNINLTXBGIULSK-PSBWJHGTSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](O)[C@H](C)C1 ZINC000249564142 139195586 /nfs/dbraw/zinc/19/55/86/139195586.db2.gz MNINLTXBGIULSK-PSBWJHGTSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000261660606 139215238 /nfs/dbraw/zinc/21/52/38/139215238.db2.gz FQQPZDLQTDVIMG-NJSLBKSFSA-N 2 1 347.459 1.694 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000261660606 139215239 /nfs/dbraw/zinc/21/52/39/139215239.db2.gz FQQPZDLQTDVIMG-NJSLBKSFSA-N 2 1 347.459 1.694 20 0 EDADMP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000261750587 139223001 /nfs/dbraw/zinc/22/30/01/139223001.db2.gz DUUAJBYPIBGWCM-AEFFLSMTSA-N 2 1 333.501 1.974 20 0 EDADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261843471 139230825 /nfs/dbraw/zinc/23/08/25/139230825.db2.gz IWZQJJHSSMNOBI-CZUORRHYSA-N 2 1 336.867 1.815 20 0 EDADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccncc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261843471 139230826 /nfs/dbraw/zinc/23/08/26/139230826.db2.gz IWZQJJHSSMNOBI-CZUORRHYSA-N 2 1 336.867 1.815 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261855034 139231666 /nfs/dbraw/zinc/23/16/66/139231666.db2.gz RVWCESYNGJUFCK-KXBFYZLASA-N 2 1 348.466 1.534 20 0 EDADMP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261855034 139231667 /nfs/dbraw/zinc/23/16/67/139231667.db2.gz RVWCESYNGJUFCK-KXBFYZLASA-N 2 1 348.466 1.534 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)cc2F)CC1 ZINC000261903606 139235528 /nfs/dbraw/zinc/23/55/28/139235528.db2.gz XAILCCOGAGIGMJ-LSDHHAIUSA-N 2 1 348.466 1.777 20 0 EDADMP c1ncn(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)cc2)n1 ZINC000261923488 139237416 /nfs/dbraw/zinc/23/74/16/139237416.db2.gz KRXBKXUGQVOPEP-IPMKNSEASA-N 2 1 341.459 1.573 20 0 EDADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000261988062 139242078 /nfs/dbraw/zinc/24/20/78/139242078.db2.gz JYBJHZQRMNNCJJ-MRXNPFEDSA-N 2 1 342.447 1.087 20 0 EDADMP CCN(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000262033357 139245381 /nfs/dbraw/zinc/24/53/81/139245381.db2.gz XJYMPKJYWDRILL-KRWDZBQOSA-N 2 1 345.491 1.182 20 0 EDADMP Cc1ncc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1-c1ccccc1 ZINC000262067635 139248245 /nfs/dbraw/zinc/24/82/45/139248245.db2.gz BLIRUSSLCWLQOF-GOSISDBHSA-N 2 1 325.460 1.660 20 0 EDADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)s2)cn1 ZINC000262098274 139250763 /nfs/dbraw/zinc/25/07/63/139250763.db2.gz IILJCTPMXPRUBQ-OAHLLOKOSA-N 2 1 331.489 1.628 20 0 EDADMP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000416308508 251061926 /nfs/dbraw/zinc/06/19/26/251061926.db2.gz MDYGNWAUIZUKKD-ZACQAIPSSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000416308508 251061927 /nfs/dbraw/zinc/06/19/27/251061927.db2.gz MDYGNWAUIZUKKD-ZACQAIPSSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000416308508 251061928 /nfs/dbraw/zinc/06/19/28/251061928.db2.gz MDYGNWAUIZUKKD-ZACQAIPSSA-N 2 1 337.508 1.555 20 0 EDADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000416308508 251061929 /nfs/dbraw/zinc/06/19/29/251061929.db2.gz MDYGNWAUIZUKKD-ZACQAIPSSA-N 2 1 337.508 1.555 20 0 EDADMP CC[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000417004531 251127406 /nfs/dbraw/zinc/12/74/06/251127406.db2.gz CNPDEYIMPJFVMY-BMGDILEWSA-N 2 1 330.476 1.954 20 0 EDADMP [NH3+]CC[C@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)C(F)F ZINC000417007591 251129406 /nfs/dbraw/zinc/12/94/06/251129406.db2.gz LFIOODBBKZUXKQ-AWEZNQCLSA-N 2 1 326.391 1.326 20 0 EDADMP C[C@@H]1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000417012556 251130140 /nfs/dbraw/zinc/13/01/40/251130140.db2.gz XDSSTHBYZSHOSR-QAPCUYQASA-N 2 1 330.476 1.671 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000417012564 251130472 /nfs/dbraw/zinc/13/04/72/251130472.db2.gz XFAOXNOHFAJHHE-HNNXBMFYSA-N 2 1 330.476 1.814 20 0 EDADMP COCC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000417221194 251148028 /nfs/dbraw/zinc/14/80/28/251148028.db2.gz NMPWCFGUDVBRKS-DOTOQJQBSA-N 2 1 334.464 1.357 20 0 EDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@H](C[NH3+])C3CC3)c2)CCO1 ZINC000417271323 251151326 /nfs/dbraw/zinc/15/13/26/251151326.db2.gz QIXFRZAOUANDDY-RDTXWAMCSA-N 2 1 346.475 1.444 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@H](C[NH3+])C3CC3)c2)CCO1 ZINC000417271323 251151328 /nfs/dbraw/zinc/15/13/28/251151328.db2.gz QIXFRZAOUANDDY-RDTXWAMCSA-N 2 1 346.475 1.444 20 0 EDADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262364905 139273444 /nfs/dbraw/zinc/27/34/44/139273444.db2.gz JCJPMXWTVCXZMQ-OLMNPRSZSA-N 2 1 331.460 1.400 20 0 EDADMP COCC1(CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC[NH2+]CC1 ZINC000417554869 251186590 /nfs/dbraw/zinc/18/65/90/251186590.db2.gz XDZIUIQSMWQOSE-MRXNPFEDSA-N 2 1 340.512 1.422 20 0 EDADMP CCCN(C(=O)[C@@H]([NH3+])COC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262372403 139273911 /nfs/dbraw/zinc/27/39/11/139273911.db2.gz LYEWYXGYMABNFX-ROUUACIJSA-N 2 1 333.476 1.863 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417585353 251198296 /nfs/dbraw/zinc/19/82/96/251198296.db2.gz OUVSYPURZKVJHK-OAHLLOKOSA-N 2 1 326.485 1.400 20 0 EDADMP O=C(NCC[NH+]1CCSCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417605162 251205139 /nfs/dbraw/zinc/20/51/39/251205139.db2.gz APNPXECENDXONQ-OAHLLOKOSA-N 2 1 326.510 1.066 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000417671728 251223410 /nfs/dbraw/zinc/22/34/10/251223410.db2.gz QZBJAVQFUYNUKG-XHSDSOJGSA-N 2 1 326.485 1.256 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417756120 251258289 /nfs/dbraw/zinc/25/82/89/251258289.db2.gz RSRIXUZLJGWJKH-INIZCTEOSA-N 2 1 326.485 1.128 20 0 EDADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000417761451 251259612 /nfs/dbraw/zinc/25/96/12/251259612.db2.gz ZCGMEOWRRDVMSQ-DLBZAZTESA-N 2 1 339.528 1.091 20 0 EDADMP Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)[nH+]c1 ZINC000417724964 251244143 /nfs/dbraw/zinc/24/41/43/251244143.db2.gz FKMXYLZWYHYNRI-GOEBONIOSA-N 2 1 331.464 1.785 20 0 EDADMP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000417730056 251245997 /nfs/dbraw/zinc/24/59/97/251245997.db2.gz LZJDACNJOZHIGC-WMZOPIPTSA-N 2 1 347.507 1.480 20 0 EDADMP C[N@@H+](CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000417826457 251286870 /nfs/dbraw/zinc/28/68/70/251286870.db2.gz OIYFMAWVNBLCSU-QGZVFWFLSA-N 2 1 334.439 1.793 20 0 EDADMP C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000417816001 251281646 /nfs/dbraw/zinc/28/16/46/251281646.db2.gz BWJSUFJGMIJSRF-XYJFISCASA-N 2 1 330.476 1.900 20 0 EDADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418434100 251370501 /nfs/dbraw/zinc/37/05/01/251370501.db2.gz VEQMNLVFBMETBF-YJBOKZPZSA-N 2 1 346.475 1.581 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000418128213 251337729 /nfs/dbraw/zinc/33/77/29/251337729.db2.gz AGJMIGFVRPQQCU-OTWHNJEPSA-N 2 1 342.487 1.758 20 0 EDADMP CN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1C[NH2+]C1 ZINC000418154875 251347757 /nfs/dbraw/zinc/34/77/57/251347757.db2.gz KMEFCEYYZVRLQL-KRWDZBQOSA-N 2 1 330.476 1.900 20 0 EDADMP Cc1cc(CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000418196994 251354964 /nfs/dbraw/zinc/35/49/64/251354964.db2.gz IPGAUNHOSZYDKS-GDBMZVCRSA-N 2 1 331.464 1.869 20 0 EDADMP C[NH2+]CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418321862 251359530 /nfs/dbraw/zinc/35/95/30/251359530.db2.gz CUPBZUANMUBPRM-ROUUACIJSA-N 2 1 330.476 1.902 20 0 EDADMP C[C@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418383344 251363430 /nfs/dbraw/zinc/36/34/30/251363430.db2.gz NMJPYMRBIUUBNW-AEFFLSMTSA-N 2 1 330.476 1.902 20 0 EDADMP CC[C@H]([NH3+])CNC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000418717734 251395339 /nfs/dbraw/zinc/39/53/39/251395339.db2.gz SXHVXGCJCYJHEI-KRWDZBQOSA-N 2 1 349.479 1.053 20 0 EDADMP CN(CC(C)(C)C[NH3+])C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262571460 139287567 /nfs/dbraw/zinc/28/75/67/139287567.db2.gz BDQLZQYMNGNWQG-QGZVFWFLSA-N 2 1 333.476 1.721 20 0 EDADMP CN(CC(C)(C)C[NH3+])C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262571460 139287568 /nfs/dbraw/zinc/28/75/68/139287568.db2.gz BDQLZQYMNGNWQG-QGZVFWFLSA-N 2 1 333.476 1.721 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000262577910 139287881 /nfs/dbraw/zinc/28/78/81/139287881.db2.gz KMRAJCUBUJJZCN-WDSOQIARSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000262577910 139287882 /nfs/dbraw/zinc/28/78/82/139287882.db2.gz KMRAJCUBUJJZCN-WDSOQIARSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262623574 139291037 /nfs/dbraw/zinc/29/10/37/139291037.db2.gz APKKEZMHHJGXEW-ZACQAIPSSA-N 2 1 330.476 1.441 20 0 EDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262659423 139293772 /nfs/dbraw/zinc/29/37/72/139293772.db2.gz YEGZSNNPGJYCGP-MOPGFXCFSA-N 2 1 342.487 1.157 20 0 EDADMP OC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCOCC1 ZINC000420933317 251784532 /nfs/dbraw/zinc/78/45/32/251784532.db2.gz HVWOHBYYPMTIKT-IBGZPJMESA-N 2 1 334.460 1.396 20 0 EDADMP C[N@@H+](CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C1CCCCC1 ZINC000423322054 252046244 /nfs/dbraw/zinc/04/62/44/252046244.db2.gz GVPJTFVUHQLBJH-QGZVFWFLSA-N 2 1 333.480 1.802 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000423352264 252048802 /nfs/dbraw/zinc/04/88/02/252048802.db2.gz AEOOBLXAXBOAFD-DLBZAZTESA-N 2 1 337.508 1.868 20 0 EDADMP C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1C[NH2+]C1 ZINC000422908041 252018505 /nfs/dbraw/zinc/01/85/05/252018505.db2.gz CUPKOJPLQCEIOQ-OAHLLOKOSA-N 2 1 330.476 1.210 20 0 EDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422909648 252020812 /nfs/dbraw/zinc/02/08/12/252020812.db2.gz GMVSTYOWBYTOEU-IEBWSBKVSA-N 2 1 344.503 1.703 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@H]1C ZINC000424141179 252140704 /nfs/dbraw/zinc/14/07/04/252140704.db2.gz GWFRWUSPHKRKMX-SOLBZPMBSA-N 2 1 339.524 1.978 20 0 EDADMP COC(=O)CC1CC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000424265376 252185003 /nfs/dbraw/zinc/18/50/03/252185003.db2.gz VHZDSVDBAYEVQF-UHFFFAOYSA-N 2 1 332.444 1.950 20 0 EDADMP COC(=O)c1ccccc1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424282818 252190964 /nfs/dbraw/zinc/19/09/64/252190964.db2.gz ARZFGCGFAXANNR-CQSZACIVSA-N 2 1 345.443 1.876 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424303688 252193382 /nfs/dbraw/zinc/19/33/82/252193382.db2.gz OQDWMJMBEIDZSO-QAPCUYQASA-N 3 1 337.483 1.893 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](CN)c2ccc(F)cc2)CC1 ZINC000424303688 252193386 /nfs/dbraw/zinc/19/33/86/252193386.db2.gz OQDWMJMBEIDZSO-QAPCUYQASA-N 2 1 337.483 1.893 20 0 EDADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](CN)c2ccc(F)cc2)CC1 ZINC000424303688 252193391 /nfs/dbraw/zinc/19/33/91/252193391.db2.gz OQDWMJMBEIDZSO-QAPCUYQASA-N 2 1 337.483 1.893 20 0 EDADMP CCN1CCC([N@@H+]2CCCN(C(=O)C[C@@H](C)n3cccn3)CC2)CC1 ZINC000424895158 252282267 /nfs/dbraw/zinc/28/22/67/252282267.db2.gz RNBUGXDENWZZHN-QGZVFWFLSA-N 2 1 347.507 1.853 20 0 EDADMP CCN1CCC([N@H+]2CCCN(C(=O)C[C@@H](C)n3cccn3)CC2)CC1 ZINC000424895158 252282269 /nfs/dbraw/zinc/28/22/69/252282269.db2.gz RNBUGXDENWZZHN-QGZVFWFLSA-N 2 1 347.507 1.853 20 0 EDADMP CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329530 285107452 /nfs/dbraw/zinc/10/74/52/285107452.db2.gz ONYAIPDQPWYARJ-SFHVURJKSA-N 2 1 345.487 1.722 20 0 EDADMP CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329530 285107454 /nfs/dbraw/zinc/10/74/54/285107454.db2.gz ONYAIPDQPWYARJ-SFHVURJKSA-N 2 1 345.487 1.722 20 0 EDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)c2C1 ZINC000415683743 304256309 /nfs/dbraw/zinc/25/63/09/304256309.db2.gz DFJHTUGXYBOMFX-LJQANCHMSA-N 2 1 344.459 1.548 20 0 EDADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)c2C1 ZINC000415683743 304256310 /nfs/dbraw/zinc/25/63/10/304256310.db2.gz DFJHTUGXYBOMFX-LJQANCHMSA-N 2 1 344.459 1.548 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCOC1(C)C ZINC000458959094 285245980 /nfs/dbraw/zinc/24/59/80/285245980.db2.gz UETHYTCTTWXEPB-CVEARBPZSA-N 2 1 340.512 1.611 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccnn1C ZINC000421757188 285247791 /nfs/dbraw/zinc/24/77/91/285247791.db2.gz MHNXJFMMRWZZQH-HZPDHXFCSA-N 2 1 335.496 1.398 20 0 EDADMP CCOCC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000494563254 255253779 /nfs/dbraw/zinc/25/37/79/255253779.db2.gz SYDHNLPIWXJGHG-UHFFFAOYSA-N 2 1 347.503 1.983 20 0 EDADMP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)C[C@H]1[NH3+] ZINC000415835964 304279644 /nfs/dbraw/zinc/27/96/44/304279644.db2.gz WTBCZXQURHMTQS-CXAGYDPISA-N 2 1 344.459 1.067 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc3c2OCCO3)CC1 ZINC000264272421 139392194 /nfs/dbraw/zinc/39/21/94/139392194.db2.gz AGEIOMYZAQMHQY-HNNXBMFYSA-N 2 1 334.460 1.982 20 0 EDADMP CN(C)CC[N@@H+](C)CCCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415889209 304284392 /nfs/dbraw/zinc/28/43/92/304284392.db2.gz BDRMULAWRDROHW-UHFFFAOYSA-N 2 1 333.480 1.337 20 0 EDADMP CN(CCCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)CC[NH+](C)C ZINC000415889209 304284393 /nfs/dbraw/zinc/28/43/93/304284393.db2.gz BDRMULAWRDROHW-UHFFFAOYSA-N 2 1 333.480 1.337 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@](C)(O)C1 ZINC000177979556 533307662 /nfs/dbraw/zinc/30/76/62/533307662.db2.gz AZPCIKIIQHFXOC-VDZJLULYSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](C)(O)C1 ZINC000177979556 533307663 /nfs/dbraw/zinc/30/76/63/533307663.db2.gz AZPCIKIIQHFXOC-VDZJLULYSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](C)(O)C1 ZINC000177979556 533307665 /nfs/dbraw/zinc/30/76/65/533307665.db2.gz AZPCIKIIQHFXOC-VDZJLULYSA-N 2 1 331.460 1.222 20 0 EDADMP C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000154961315 533498409 /nfs/dbraw/zinc/49/84/09/533498409.db2.gz FFTQVUXVZUSITQ-ZWKOTPCHSA-N 2 1 348.535 1.914 20 0 EDADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)CC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416240475 304299557 /nfs/dbraw/zinc/29/95/57/304299557.db2.gz JRPZUJJBTCLESA-OALUTQOASA-N 2 1 343.471 1.366 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416240475 304299559 /nfs/dbraw/zinc/29/95/59/304299559.db2.gz JRPZUJJBTCLESA-OALUTQOASA-N 2 1 343.471 1.366 20 0 EDADMP C[NH+]1CC[C@@H]2OCCN(C(=O)CC[N@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416240475 304299561 /nfs/dbraw/zinc/29/95/61/304299561.db2.gz JRPZUJJBTCLESA-OALUTQOASA-N 2 1 343.471 1.366 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000269933571 140020688 /nfs/dbraw/zinc/02/06/88/140020688.db2.gz DSGGZYPHGLUCJN-HKUYNNGSSA-N 2 1 345.487 1.908 20 0 EDADMP C[NH+](C)CCOc1cc(CNC(=O)NCC2=CC[N@@H+](C)CC2)ccn1 ZINC000271927540 140374148 /nfs/dbraw/zinc/37/41/48/140374148.db2.gz SWLXHSLYRHBNEO-UHFFFAOYSA-N 2 1 347.463 1.083 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000333465968 141321601 /nfs/dbraw/zinc/32/16/01/141321601.db2.gz ZXJQAIDPOLXEIY-HOTGVXAUSA-N 2 1 338.496 1.127 20 0 EDADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC[NH+](C)CC2)C[C@H](C)O1 ZINC000339598610 142088517 /nfs/dbraw/zinc/08/85/17/142088517.db2.gz MIUFPXLFNCSYIL-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC[NH+](C)CC2)C[C@H](C)O1 ZINC000339598610 142088519 /nfs/dbraw/zinc/08/85/19/142088519.db2.gz MIUFPXLFNCSYIL-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](C)CC2)C[C@H](C)O1 ZINC000339598610 142088520 /nfs/dbraw/zinc/08/85/20/142088520.db2.gz MIUFPXLFNCSYIL-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](C)CC2)C[C@H](C)O1 ZINC000339598610 142088521 /nfs/dbraw/zinc/08/85/21/142088521.db2.gz MIUFPXLFNCSYIL-GASCZTMLSA-N 2 1 326.485 1.221 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000339851172 142177316 /nfs/dbraw/zinc/17/73/16/142177316.db2.gz TXMQMFJKKWDHAE-SJORKVTESA-N 2 1 341.544 1.288 20 0 EDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000339851172 142177318 /nfs/dbraw/zinc/17/73/18/142177318.db2.gz TXMQMFJKKWDHAE-SJORKVTESA-N 2 1 341.544 1.288 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000339851172 142177319 /nfs/dbraw/zinc/17/73/19/142177319.db2.gz TXMQMFJKKWDHAE-SJORKVTESA-N 2 1 341.544 1.288 20 0 EDADMP CS(=O)(=O)CC1CCC([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC000340198410 142300065 /nfs/dbraw/zinc/30/00/65/142300065.db2.gz LDLCWVUZUNZGBW-UHFFFAOYSA-N 2 1 332.510 1.026 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000344747531 143006636 /nfs/dbraw/zinc/00/66/36/143006636.db2.gz MQKRVQVBBFYWCP-WDSOQIARSA-N 2 1 345.487 1.591 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000344747531 143006637 /nfs/dbraw/zinc/00/66/37/143006637.db2.gz MQKRVQVBBFYWCP-WDSOQIARSA-N 2 1 345.487 1.591 20 0 EDADMP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000344747531 143006638 /nfs/dbraw/zinc/00/66/38/143006638.db2.gz MQKRVQVBBFYWCP-WDSOQIARSA-N 2 1 345.487 1.591 20 0 EDADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000345069462 143046520 /nfs/dbraw/zinc/04/65/20/143046520.db2.gz RJKPXZIWRSDELO-NUJGCVRESA-N 2 1 333.501 1.985 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000345069462 143046521 /nfs/dbraw/zinc/04/65/21/143046521.db2.gz RJKPXZIWRSDELO-NUJGCVRESA-N 2 1 333.501 1.985 20 0 EDADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000345069462 143046522 /nfs/dbraw/zinc/04/65/22/143046522.db2.gz RJKPXZIWRSDELO-NUJGCVRESA-N 2 1 333.501 1.985 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[NH+](CC)C(C)C)CC[N@H+]1C[C@@H](C)O ZINC000345357908 143082102 /nfs/dbraw/zinc/08/21/02/143082102.db2.gz VOFVHEOQFDOUAW-HZPDHXFCSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[N@H+](CC)C(C)C)CC[NH+]1C[C@@H](C)O ZINC000345357908 143082103 /nfs/dbraw/zinc/08/21/03/143082103.db2.gz VOFVHEOQFDOUAW-HZPDHXFCSA-N 2 1 328.501 1.203 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[N@@H+](CC)C(C)C)CC[NH+]1C[C@@H](C)O ZINC000345357908 143082104 /nfs/dbraw/zinc/08/21/04/143082104.db2.gz VOFVHEOQFDOUAW-HZPDHXFCSA-N 2 1 328.501 1.203 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[NH+](C(C)C)C(C)C)[N@@H+](C)C1 ZINC000345666400 143118896 /nfs/dbraw/zinc/11/88/96/143118896.db2.gz NIGJYNPCDHIYNW-HZPDHXFCSA-N 2 1 328.501 1.466 20 0 EDADMP CC[N@H+]1C[C@H](C)N(C(=O)NCC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC000345732276 143126820 /nfs/dbraw/zinc/12/68/20/143126820.db2.gz IIBAHWUBVZGTDK-CABCVRRESA-N 2 1 326.485 1.221 20 0 EDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000346207030 143178903 /nfs/dbraw/zinc/17/89/03/143178903.db2.gz RUNLXTVLBMGZEL-KXBFYZLASA-N 2 1 341.459 1.728 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)[NH+](C)C1 ZINC000346248457 143183363 /nfs/dbraw/zinc/18/33/63/143183363.db2.gz XCCOTWWMPYTOQV-QBPKDAKJSA-N 2 1 340.512 1.610 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)[N@H+](C)C1 ZINC000346248457 143183364 /nfs/dbraw/zinc/18/33/64/143183364.db2.gz XCCOTWWMPYTOQV-QBPKDAKJSA-N 2 1 340.512 1.610 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)[N@@H+](C)C1 ZINC000346248457 143183365 /nfs/dbraw/zinc/18/33/65/143183365.db2.gz XCCOTWWMPYTOQV-QBPKDAKJSA-N 2 1 340.512 1.610 20 0 EDADMP O[C@@H](COc1ccccc1)C[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346863172 143252951 /nfs/dbraw/zinc/25/29/51/143252951.db2.gz XQIUVNFBVYFFKL-QZTJIDSGSA-N 2 1 333.476 1.044 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000347153385 143288441 /nfs/dbraw/zinc/28/84/41/143288441.db2.gz CFQNCFFJMUVVKM-NSHDSACASA-N 2 1 330.354 1.387 20 0 EDADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000347153385 143288442 /nfs/dbraw/zinc/28/84/42/143288442.db2.gz CFQNCFFJMUVVKM-NSHDSACASA-N 2 1 330.354 1.387 20 0 EDADMP C[C@@H]1C[C@@H](N[C@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000347278469 143303050 /nfs/dbraw/zinc/30/30/50/143303050.db2.gz VNGDKRCXJBPDIM-NZSAHSFTSA-N 2 1 346.519 1.348 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CCN1C ZINC000347278469 143303051 /nfs/dbraw/zinc/30/30/51/143303051.db2.gz VNGDKRCXJBPDIM-NZSAHSFTSA-N 2 1 346.519 1.348 20 0 EDADMP C[C@@H](O)C[N@H+](C)C1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347803087 143365045 /nfs/dbraw/zinc/36/50/45/143365045.db2.gz DXHDRTJDZAMOGC-CYBMUJFWSA-N 2 1 326.510 1.482 20 0 EDADMP C[C@@H](O)C[N@@H+](C)C1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347803087 143365046 /nfs/dbraw/zinc/36/50/46/143365046.db2.gz DXHDRTJDZAMOGC-CYBMUJFWSA-N 2 1 326.510 1.482 20 0 EDADMP C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1C[NH2+]C1 ZINC000572630287 306595806 /nfs/dbraw/zinc/59/58/06/306595806.db2.gz QVQGWLSQFIVCGN-CQSZACIVSA-N 2 1 337.489 1.559 20 0 EDADMP Cc1cccc(C[NH+]2CCN(C(=O)COC3CCC([NH3+])CC3)CC2)c1 ZINC000573113965 306612430 /nfs/dbraw/zinc/61/24/30/306612430.db2.gz BIBVAAWICXXFBL-UHFFFAOYSA-N 2 1 345.487 1.926 20 0 EDADMP C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000416843311 304351157 /nfs/dbraw/zinc/35/11/57/304351157.db2.gz OKUAVWLGDZNIKZ-MSOLQXFVSA-N 2 1 330.476 1.902 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000416859155 304352562 /nfs/dbraw/zinc/35/25/62/304352562.db2.gz ZNYNZXQEJJSERL-YCPHGPKFSA-N 2 1 334.464 1.738 20 0 EDADMP C[C@@H](C(=O)N(CC[NH+](C)C)CC1CCCCC1)N1CC[NH+](C)CC1 ZINC000352778639 149162085 /nfs/dbraw/zinc/16/20/85/149162085.db2.gz LMTJLRKYNOHGKO-KRWDZBQOSA-N 2 1 338.540 1.593 20 0 EDADMP CC(C)OCCN1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000369914042 155229795 /nfs/dbraw/zinc/22/97/95/155229795.db2.gz XILUBZFRESLWNM-IRXDYDNUSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000369914042 155229799 /nfs/dbraw/zinc/22/97/99/155229799.db2.gz XILUBZFRESLWNM-IRXDYDNUSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000369914042 155229801 /nfs/dbraw/zinc/22/98/01/155229801.db2.gz XILUBZFRESLWNM-IRXDYDNUSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000369923778 155234209 /nfs/dbraw/zinc/23/42/09/155234209.db2.gz PHQODKFBYULQKS-PMPSAXMXSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1CC(C)(C)O ZINC000369923778 155234213 /nfs/dbraw/zinc/23/42/13/155234213.db2.gz PHQODKFBYULQKS-PMPSAXMXSA-N 2 1 338.496 1.100 20 0 EDADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1CC(C)(C)O ZINC000369923778 155234216 /nfs/dbraw/zinc/23/42/16/155234216.db2.gz PHQODKFBYULQKS-PMPSAXMXSA-N 2 1 338.496 1.100 20 0 EDADMP CCC(CC)[C@H](CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000416964660 304356318 /nfs/dbraw/zinc/35/63/18/304356318.db2.gz WJCLVYDBQUXKEA-ZOBUZTSGSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(CC[NH3+])CCO)C1 ZINC000416964674 304356498 /nfs/dbraw/zinc/35/64/98/304356498.db2.gz CHCFNNKLNITLMR-INIZCTEOSA-N 2 1 348.491 1.381 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000369943395 155247131 /nfs/dbraw/zinc/24/71/31/155247131.db2.gz RQLUNNQATFHGNV-LJQANCHMSA-N 2 1 345.487 1.388 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000369943395 155247134 /nfs/dbraw/zinc/24/71/34/155247134.db2.gz RQLUNNQATFHGNV-LJQANCHMSA-N 2 1 345.487 1.388 20 0 EDADMP CC(C)COC[C@@H](O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000354899434 150019555 /nfs/dbraw/zinc/01/95/55/150019555.db2.gz AQLNFPIMFIMMCB-OTWHNJEPSA-N 2 1 341.540 1.510 20 0 EDADMP CC(C)COC[C@@H](O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000354899434 150019557 /nfs/dbraw/zinc/01/95/57/150019557.db2.gz AQLNFPIMFIMMCB-OTWHNJEPSA-N 2 1 341.540 1.510 20 0 EDADMP CCn1cc(C[NH2+]C[C@@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)cn1 ZINC000354934159 150039637 /nfs/dbraw/zinc/03/96/37/150039637.db2.gz IZAYLUKQUZTWFO-CABCVRRESA-N 2 1 347.442 1.466 20 0 EDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354948201 150049804 /nfs/dbraw/zinc/04/98/04/150049804.db2.gz QJUILELJDZKPPA-SJLPKXTDSA-N 2 1 336.524 1.488 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000355499264 150294044 /nfs/dbraw/zinc/29/40/44/150294044.db2.gz FOBZVGUEWKIAKV-HOTGVXAUSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)C[C@H](C)[C@H]2C)C1 ZINC000355781474 150398625 /nfs/dbraw/zinc/39/86/25/150398625.db2.gz CTQMTBHUBLAKQN-XMTFNYHQSA-N 2 1 339.524 1.826 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)C1 ZINC000355781474 150398628 /nfs/dbraw/zinc/39/86/28/150398628.db2.gz CTQMTBHUBLAKQN-XMTFNYHQSA-N 2 1 339.524 1.826 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)C1 ZINC000355781474 150398629 /nfs/dbraw/zinc/39/86/29/150398629.db2.gz CTQMTBHUBLAKQN-XMTFNYHQSA-N 2 1 339.524 1.826 20 0 EDADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)CC[C@@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000357491147 151046860 /nfs/dbraw/zinc/04/68/60/151046860.db2.gz RRKLZISFSQSSPF-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP C[C@@H]1C[N@H+](CCN(C)C(=O)CC[C@@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000357491147 151046864 /nfs/dbraw/zinc/04/68/64/151046864.db2.gz RRKLZISFSQSSPF-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@H](C)O1 ZINC000357491147 151046866 /nfs/dbraw/zinc/04/68/66/151046866.db2.gz RRKLZISFSQSSPF-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP C[C@@H]1C[NH+](CCN(C)C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@H](C)O1 ZINC000357491147 151046868 /nfs/dbraw/zinc/04/68/68/151046868.db2.gz RRKLZISFSQSSPF-BBWFWOEESA-N 2 1 325.497 1.819 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357670674 151109786 /nfs/dbraw/zinc/10/97/86/151109786.db2.gz WMTHYSYQAXYLAL-YESZJQIVSA-N 2 1 342.528 1.905 20 0 EDADMP CCC[NH+](CC)C[C@H](C)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357670674 151109788 /nfs/dbraw/zinc/10/97/88/151109788.db2.gz WMTHYSYQAXYLAL-YESZJQIVSA-N 2 1 342.528 1.905 20 0 EDADMP CSC1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC[NH+](C)CC1 ZINC000357734850 151131695 /nfs/dbraw/zinc/13/16/95/151131695.db2.gz WXGOOHFXZQPYHW-HUUCEWRRSA-N 2 1 340.537 1.740 20 0 EDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000357921152 151196799 /nfs/dbraw/zinc/19/67/99/151196799.db2.gz PREFPLMWYVKBCD-IAGOWNOFSA-N 2 1 341.544 1.432 20 0 EDADMP CC[N@H+]1CC[C@H](NCc2cccc(NS(C)(=O)=O)c2)[C@H](C)C1 ZINC000358082104 151263611 /nfs/dbraw/zinc/26/36/11/151263611.db2.gz IZNRABXDJDBIFM-CJNGLKHVSA-N 2 1 325.478 1.878 20 0 EDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)[C@H](C)C1 ZINC000358082104 151263613 /nfs/dbraw/zinc/26/36/13/151263613.db2.gz IZNRABXDJDBIFM-CJNGLKHVSA-N 2 1 325.478 1.878 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)[NH+](C)C ZINC000573819769 306635991 /nfs/dbraw/zinc/63/59/91/306635991.db2.gz HETHENVLNKQOIX-LLLHUVSDSA-N 2 1 346.475 1.677 20 0 EDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000358255133 151318263 /nfs/dbraw/zinc/31/82/63/151318263.db2.gz QCDLHCPPIFJVES-HNAYVOBHSA-N 2 1 344.459 1.716 20 0 EDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000358255133 151318265 /nfs/dbraw/zinc/31/82/65/151318265.db2.gz QCDLHCPPIFJVES-HNAYVOBHSA-N 2 1 344.459 1.716 20 0 EDADMP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358497787 151395458 /nfs/dbraw/zinc/39/54/58/151395458.db2.gz KOZTWJAYQWBVJQ-OAHLLOKOSA-N 2 1 331.460 1.775 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCO[C@@H](C[NH3+])C3)cc2)C[C@@H](C)O1 ZINC000358502695 151397967 /nfs/dbraw/zinc/39/79/67/151397967.db2.gz YYVHHHLQQPEAKT-RKVPGOIHSA-N 2 1 347.459 1.096 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(CCOCC)CC1 ZINC000360797607 152209799 /nfs/dbraw/zinc/20/97/99/152209799.db2.gz JKSRSONKCAQYMQ-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCOCC)CC1 ZINC000360797607 152209800 /nfs/dbraw/zinc/20/98/00/152209800.db2.gz JKSRSONKCAQYMQ-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCOCC)CC1 ZINC000360797607 152209801 /nfs/dbraw/zinc/20/98/01/152209801.db2.gz JKSRSONKCAQYMQ-MRXNPFEDSA-N 2 1 328.501 1.471 20 0 EDADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn(C)nc2C(F)F)CC1 ZINC000361182207 152327982 /nfs/dbraw/zinc/32/79/82/152327982.db2.gz XCCYSCMQKREGEI-LBPRGKRZSA-N 2 1 330.423 1.882 20 0 EDADMP CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000361365407 152373188 /nfs/dbraw/zinc/37/31/88/152373188.db2.gz FACFKELDEFUTDS-INIZCTEOSA-N 2 1 333.480 1.441 20 0 EDADMP C[C@@H]([NH3+])CCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000417162079 304379485 /nfs/dbraw/zinc/37/94/85/304379485.db2.gz FYRMCRAURBYVJG-GFCCVEGCSA-N 2 1 340.418 1.966 20 0 EDADMP COC(=O)CNC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000370191914 155371429 /nfs/dbraw/zinc/37/14/29/155371429.db2.gz OEHCTGMVIINHMU-DOTOQJQBSA-N 2 1 347.459 1.118 20 0 EDADMP C[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1[NH3+] ZINC000417191620 304382822 /nfs/dbraw/zinc/38/28/22/304382822.db2.gz XYMQIVPRPPZPIJ-WMLDXEAASA-N 2 1 332.448 1.007 20 0 EDADMP Cc1[nH+]ccn1-c1cccc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)n1 ZINC000363988400 153116042 /nfs/dbraw/zinc/11/60/42/153116042.db2.gz WITFBCYRESOEMG-AWEZNQCLSA-N 2 1 329.448 1.857 20 0 EDADMP Cc1[nH+]ccn1-c1cccc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)n1 ZINC000363988400 153116044 /nfs/dbraw/zinc/11/60/44/153116044.db2.gz WITFBCYRESOEMG-AWEZNQCLSA-N 2 1 329.448 1.857 20 0 EDADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC000364275661 153194217 /nfs/dbraw/zinc/19/42/17/153194217.db2.gz ZUAWVUUTMBXDGS-GOSISDBHSA-N 2 1 344.503 1.647 20 0 EDADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC000364275661 153194219 /nfs/dbraw/zinc/19/42/19/153194219.db2.gz ZUAWVUUTMBXDGS-GOSISDBHSA-N 2 1 344.503 1.647 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364565346 153272253 /nfs/dbraw/zinc/27/22/53/153272253.db2.gz ZCTBNYPENAXVNJ-PKOBYXMFSA-N 2 1 329.444 1.135 20 0 EDADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NC3CC3)C2)c1 ZINC000364730065 153316136 /nfs/dbraw/zinc/31/61/36/153316136.db2.gz ZRFLHSHFIUGYPW-KGLIPLIRSA-N 2 1 345.447 1.501 20 0 EDADMP COCC1(CNC(=O)NCC[N@@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000417233090 304386575 /nfs/dbraw/zinc/38/65/75/304386575.db2.gz RJFRCFMXOUEYPS-UHFFFAOYSA-N 2 1 348.491 1.434 20 0 EDADMP COC(=O)c1coc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000367622152 154202374 /nfs/dbraw/zinc/20/23/74/154202374.db2.gz FWWANMITOCZRKG-HNNXBMFYSA-N 2 1 335.448 1.526 20 0 EDADMP COC(=O)c1coc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000367622152 154202377 /nfs/dbraw/zinc/20/23/77/154202377.db2.gz FWWANMITOCZRKG-HNNXBMFYSA-N 2 1 335.448 1.526 20 0 EDADMP C[N@@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000369581395 155097640 /nfs/dbraw/zinc/09/76/40/155097640.db2.gz BPYNYWMZXIWNCY-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000369581395 155097643 /nfs/dbraw/zinc/09/76/43/155097643.db2.gz BPYNYWMZXIWNCY-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](CCCO)C1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000369581395 155097646 /nfs/dbraw/zinc/09/76/46/155097646.db2.gz BPYNYWMZXIWNCY-NVXWUHKLSA-N 2 1 338.496 1.101 20 0 EDADMP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000369598778 155103389 /nfs/dbraw/zinc/10/33/89/155103389.db2.gz CXBZEYYFKRJOPY-RTBURBONSA-N 2 1 345.487 1.830 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)C1=CC[NH+](C)CC1 ZINC000371574871 156010802 /nfs/dbraw/zinc/01/08/02/156010802.db2.gz NEGWWZXVYYQWMN-BHYGNILZSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)C1=CC[NH+](C)CC1 ZINC000371574871 156010807 /nfs/dbraw/zinc/01/08/07/156010807.db2.gz NEGWWZXVYYQWMN-BHYGNILZSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1)C1=CC[N@H+](C)CC1 ZINC000371574871 156010811 /nfs/dbraw/zinc/01/08/11/156010811.db2.gz NEGWWZXVYYQWMN-BHYGNILZSA-N 2 1 336.480 1.189 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1)C1=CC[N@@H+](C)CC1 ZINC000371574871 156010816 /nfs/dbraw/zinc/01/08/16/156010816.db2.gz NEGWWZXVYYQWMN-BHYGNILZSA-N 2 1 336.480 1.189 20 0 EDADMP COCCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C[C@@H]1C ZINC000377966675 158041913 /nfs/dbraw/zinc/04/19/13/158041913.db2.gz VWDFMAKKBJCEIJ-WMZOPIPTSA-N 2 1 346.475 1.225 20 0 EDADMP COCCN1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C[C@@H]1C ZINC000377966675 158041915 /nfs/dbraw/zinc/04/19/15/158041915.db2.gz VWDFMAKKBJCEIJ-WMZOPIPTSA-N 2 1 346.475 1.225 20 0 EDADMP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccn2)C[C@@H]1C ZINC000377966675 158041916 /nfs/dbraw/zinc/04/19/16/158041916.db2.gz VWDFMAKKBJCEIJ-WMZOPIPTSA-N 2 1 346.475 1.225 20 0 EDADMP [NH3+]CCC[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)CC1CCCC1 ZINC000352510044 162220445 /nfs/dbraw/zinc/22/04/45/162220445.db2.gz MCHHCTAQCKCMAI-UHFFFAOYSA-N 2 1 347.459 1.873 20 0 EDADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000364438608 162329715 /nfs/dbraw/zinc/32/97/15/162329715.db2.gz RGQOMSDKPIDYAI-LJQANCHMSA-N 2 1 343.471 1.477 20 0 EDADMP COc1ccncc1CNC(=O)NC[C@@H]1CCC[C@@H]1N1CCOCC1 ZINC000366349815 162378075 /nfs/dbraw/zinc/37/80/75/162378075.db2.gz PYDCGPCCCJHFPF-HOCLYGCPSA-N 2 1 348.447 1.390 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000355095645 287090344 /nfs/dbraw/zinc/09/03/44/287090344.db2.gz QJMABAJCBIVXOZ-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000073677523 287263630 /nfs/dbraw/zinc/26/36/30/287263630.db2.gz PMIWKBHPQIRMLD-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP CC[N@@H+]1CCC[C@H]1CNC(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000073677523 287263632 /nfs/dbraw/zinc/26/36/32/287263632.db2.gz PMIWKBHPQIRMLD-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000073677523 287263635 /nfs/dbraw/zinc/26/36/35/287263635.db2.gz PMIWKBHPQIRMLD-KRWDZBQOSA-N 2 1 339.528 1.188 20 0 EDADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000074134190 287267953 /nfs/dbraw/zinc/26/79/53/287267953.db2.gz HPHSFADKFYZGBF-DLBZAZTESA-N 2 1 339.528 1.138 20 0 EDADMP CC(C)[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)N1CC[NH+](C)CC1 ZINC000075182235 287275924 /nfs/dbraw/zinc/27/59/24/287275924.db2.gz JMCVADDLSDCNKP-LJQANCHMSA-N 2 1 346.519 1.750 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079733281 287302458 /nfs/dbraw/zinc/30/24/58/287302458.db2.gz NSJAXYHNDWBLQP-ROUUACIJSA-N 2 1 344.503 1.943 20 0 EDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000081572892 287314256 /nfs/dbraw/zinc/31/42/56/287314256.db2.gz NJYGICLVOKCGRQ-OAHLLOKOSA-N 2 1 346.475 1.778 20 0 EDADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000081572892 287314257 /nfs/dbraw/zinc/31/42/57/287314257.db2.gz NJYGICLVOKCGRQ-OAHLLOKOSA-N 2 1 346.475 1.778 20 0 EDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000081572892 287314258 /nfs/dbraw/zinc/31/42/58/287314258.db2.gz NJYGICLVOKCGRQ-OAHLLOKOSA-N 2 1 346.475 1.778 20 0 EDADMP Cc1cccc(OCCNC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158662672 225061873 /nfs/dbraw/zinc/06/18/73/225061873.db2.gz ROPGZPFXMBGKTD-IEBWSBKVSA-N 2 1 345.487 1.906 20 0 EDADMP COC1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000159139330 225154628 /nfs/dbraw/zinc/15/46/28/225154628.db2.gz ARUQVTIBAWHEJO-UHFFFAOYSA-N 2 1 331.460 1.490 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@]3(C)CC[NH2+]C3)c2)CCO1 ZINC000166122630 226149260 /nfs/dbraw/zinc/14/92/60/226149260.db2.gz WYIXNJKZDOCPKN-HNAYVOBHSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@]3(C)CC[NH2+]C3)c2)CCO1 ZINC000166122630 226149265 /nfs/dbraw/zinc/14/92/65/226149265.db2.gz WYIXNJKZDOCPKN-HNAYVOBHSA-N 2 1 331.460 1.523 20 0 EDADMP COC1CCC(N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665757630 452323701 /nfs/dbraw/zinc/32/37/01/452323701.db2.gz QUAGWKXZMWLJJF-GTPINHCMSA-N 2 1 342.528 1.857 20 0 EDADMP COC1CCC(N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665757630 452323712 /nfs/dbraw/zinc/32/37/12/452323712.db2.gz QUAGWKXZMWLJJF-GTPINHCMSA-N 2 1 342.528 1.857 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCc1ccsc1 ZINC000663656765 452397818 /nfs/dbraw/zinc/39/78/18/452397818.db2.gz BWSHDTVVMMYFHM-AWEZNQCLSA-N 2 1 326.510 1.862 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCc1ccsc1 ZINC000663656765 452397824 /nfs/dbraw/zinc/39/78/24/452397824.db2.gz BWSHDTVVMMYFHM-AWEZNQCLSA-N 2 1 326.510 1.862 20 0 EDADMP CS(=O)(=O)N1CC(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000189688536 272967637 /nfs/dbraw/zinc/96/76/37/272967637.db2.gz IINXYQRSGDBONI-UHFFFAOYSA-N 2 1 337.489 1.132 20 0 EDADMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000237156064 273008321 /nfs/dbraw/zinc/00/83/21/273008321.db2.gz BDZJOFBAKLJTMS-QZTJIDSGSA-N 2 1 338.540 1.674 20 0 EDADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000275193365 268295569 /nfs/dbraw/zinc/29/55/69/268295569.db2.gz DONFBLSPNKBZCJ-MOPGFXCFSA-N 2 1 345.487 1.739 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000275193365 268295570 /nfs/dbraw/zinc/29/55/70/268295570.db2.gz DONFBLSPNKBZCJ-MOPGFXCFSA-N 2 1 345.487 1.739 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000275193365 268295571 /nfs/dbraw/zinc/29/55/71/268295571.db2.gz DONFBLSPNKBZCJ-MOPGFXCFSA-N 2 1 345.487 1.739 20 0 EDADMP C[NH+](C)C1(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000276093242 268396052 /nfs/dbraw/zinc/39/60/52/268396052.db2.gz YDLIRAVOLUCJHL-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP C[NH+](C)C1(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000276093242 268396054 /nfs/dbraw/zinc/39/60/54/268396054.db2.gz YDLIRAVOLUCJHL-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP Cc1nn(C)c2ncc(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)cc12 ZINC000278017766 273241080 /nfs/dbraw/zinc/24/10/80/273241080.db2.gz WHVLRMVEOOPUPV-AWEZNQCLSA-N 2 1 331.464 1.867 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC[N@@H+]1C ZINC000332237525 274394218 /nfs/dbraw/zinc/39/42/18/274394218.db2.gz SVUVIXJXGOQWJI-IFIJOSMWSA-N 2 1 337.489 1.784 20 0 EDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC[N@H+]1C ZINC000332237525 274394222 /nfs/dbraw/zinc/39/42/22/274394222.db2.gz SVUVIXJXGOQWJI-IFIJOSMWSA-N 2 1 337.489 1.784 20 0 EDADMP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000372111236 276067876 /nfs/dbraw/zinc/06/78/76/276067876.db2.gz PQMHEIPBEOWXSW-MRXNPFEDSA-N 2 1 334.464 1.766 20 0 EDADMP CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422855962 276389756 /nfs/dbraw/zinc/38/97/56/276389756.db2.gz DNNJSCAHIMKZSI-IAGOWNOFSA-N 2 1 339.505 1.741 20 0 EDADMP C[N@H+]1CCCN(c2ccc(NC(=O)C[NH2+]C[C@H]3CCCO3)cc2)CC1 ZINC000269304909 277052374 /nfs/dbraw/zinc/05/23/74/277052374.db2.gz SMHYPRKUMBQAQD-GOSISDBHSA-N 2 1 346.475 1.536 20 0 EDADMP COC[C@@]1(CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000416875547 277256471 /nfs/dbraw/zinc/25/64/71/277256471.db2.gz RDWQPMDUXWDZLX-IBGZPJMESA-N 2 1 348.491 1.576 20 0 EDADMP COc1cccc2c1CC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361183233 278033079 /nfs/dbraw/zinc/03/30/79/278033079.db2.gz QMWXFRUJFZQHCF-PBHICJAKSA-N 2 1 331.460 1.860 20 0 EDADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000357966698 279125270 /nfs/dbraw/zinc/12/52/70/279125270.db2.gz ZIBODQNNVXDLQR-BRWVUGGUSA-N 2 1 340.512 1.467 20 0 EDADMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1ccc(F)nc1 ZINC000373527483 279198383 /nfs/dbraw/zinc/19/83/83/279198383.db2.gz OXQQDPMNVJLZAN-UHFFFAOYSA-N 2 1 346.454 1.694 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1ccc(F)nc1 ZINC000373527483 279198385 /nfs/dbraw/zinc/19/83/85/279198385.db2.gz OXQQDPMNVJLZAN-UHFFFAOYSA-N 2 1 346.454 1.694 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000366034824 279276984 /nfs/dbraw/zinc/27/69/84/279276984.db2.gz SMWWLCFOOQNXID-MSOLQXFVSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CCOC1 ZINC000341242583 279302565 /nfs/dbraw/zinc/30/25/65/279302565.db2.gz WZHOCNGZJZKFIK-IXDOHACOSA-N 2 1 340.512 1.469 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)o1 ZINC000358457307 279329922 /nfs/dbraw/zinc/32/99/22/279329922.db2.gz CRBMNMWGDUGVSZ-HNNXBMFYSA-N 2 1 343.493 1.625 20 0 EDADMP CC(C)[C@@H](CNC(=O)NCC[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000337333128 279844895 /nfs/dbraw/zinc/84/48/95/279844895.db2.gz JAAMNYHZCSZUMI-QGZVFWFLSA-N 2 1 340.512 1.374 20 0 EDADMP CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367552958 280011013 /nfs/dbraw/zinc/01/10/13/280011013.db2.gz OSCMFSDPLUOSRI-ARFHVFGLSA-N 2 1 329.510 1.263 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC1([NH+](C)C)CCOCC1 ZINC000168330563 288193415 /nfs/dbraw/zinc/19/34/15/288193415.db2.gz YHUJCHMFPWDQDN-SQNIBIBYSA-N 2 1 339.524 1.576 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1CCC[NH+]1CCCCC1 ZINC000372461181 288207624 /nfs/dbraw/zinc/20/76/24/288207624.db2.gz ZQWKNNZLFFARFR-RTBURBONSA-N 2 1 338.540 1.199 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@H]2C[NH+](C)C[C@@H]2C1 ZINC000346650328 288217779 /nfs/dbraw/zinc/21/77/79/288217779.db2.gz GVPPWVIRGGXKOY-OWYHZJEWSA-N 2 1 327.472 1.775 20 0 EDADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000287459637 288242875 /nfs/dbraw/zinc/24/28/75/288242875.db2.gz GZQYTAJNGWIJNL-JKSUJKDBSA-N 2 1 348.491 1.345 20 0 EDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000342567965 288301028 /nfs/dbraw/zinc/30/10/28/288301028.db2.gz LTXHSZMQFDTFBN-DJIMGWMZSA-N 2 1 337.533 1.899 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000357729602 289046162 /nfs/dbraw/zinc/04/61/62/289046162.db2.gz MDJBIUNKXTXONL-QBPKDAKJSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000357729602 289046163 /nfs/dbraw/zinc/04/61/63/289046163.db2.gz MDJBIUNKXTXONL-QBPKDAKJSA-N 2 1 336.480 1.118 20 0 EDADMP C[C@H](C(=O)NCCc1ccc(F)cc1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292214372 289290959 /nfs/dbraw/zinc/29/09/59/289290959.db2.gz UKGLKWFIJBPZRA-DNVCBOLYSA-N 2 1 333.451 1.901 20 0 EDADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H](C)O1 ZINC000352416196 297017359 /nfs/dbraw/zinc/01/73/59/297017359.db2.gz SADAGGZZJUTIPU-FPAYPSAMSA-N 2 1 349.519 1.961 20 0 EDADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC(F)(F)C[NH3+])cc1 ZINC000418521745 304508105 /nfs/dbraw/zinc/50/81/05/304508105.db2.gz GXOPBJYPYNYYDP-ZDUSSCGKSA-N 2 1 330.379 1.191 20 0 EDADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414751275 447321453 /nfs/dbraw/zinc/32/14/53/447321453.db2.gz ABVQKBMBPGLPJU-ZWKOTPCHSA-N 2 1 333.476 1.373 20 0 EDADMP C[C@@H](C(=O)Nc1ccnn1CC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000294013463 303051889 /nfs/dbraw/zinc/05/18/89/303051889.db2.gz IUXVRWJTSBWVNW-HNNXBMFYSA-N 2 1 329.448 1.904 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000296310830 303309244 /nfs/dbraw/zinc/30/92/44/303309244.db2.gz GNTZDEFIXDPCPU-SJORKVTESA-N 2 1 332.492 1.701 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](CCOC)C2)[C@H](C)C1 ZINC000448524690 447327519 /nfs/dbraw/zinc/32/75/19/447327519.db2.gz KITODJSRFCIKGK-PMPSAXMXSA-N 2 1 326.485 1.079 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](CCOC)C2)[C@H](C)C1 ZINC000448524690 447327524 /nfs/dbraw/zinc/32/75/24/447327524.db2.gz KITODJSRFCIKGK-PMPSAXMXSA-N 2 1 326.485 1.079 20 0 EDADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)[C@H](C)C1 ZINC000448524690 447327528 /nfs/dbraw/zinc/32/75/28/447327528.db2.gz KITODJSRFCIKGK-PMPSAXMXSA-N 2 1 326.485 1.079 20 0 EDADMP O=C(C1CC[NH+](Cc2cccnc2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000359879197 303824899 /nfs/dbraw/zinc/82/48/99/303824899.db2.gz ZUTHAQWVSWPIOU-UHFFFAOYSA-N 2 1 328.460 1.600 20 0 EDADMP CC(C)[C@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)N1CC[NH+](C)CC1 ZINC000425894565 304976253 /nfs/dbraw/zinc/97/62/53/304976253.db2.gz GTQJOAFFSNVVRY-IBGZPJMESA-N 3 1 349.523 1.503 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)CC2)cs1 ZINC000429145377 305024442 /nfs/dbraw/zinc/02/44/42/305024442.db2.gz VTZUPQICKOANOC-WBMJQRKESA-N 2 1 336.505 1.859 20 0 EDADMP CC(C)N(CC(F)(F)F)C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430596196 305057818 /nfs/dbraw/zinc/05/78/18/305057818.db2.gz IZNVAAMOJKYTLS-UHFFFAOYSA-N 2 1 339.402 1.616 20 0 EDADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430609205 305058652 /nfs/dbraw/zinc/05/86/52/305058652.db2.gz HIIXDMYHLLMUKD-HOTGVXAUSA-N 2 1 346.475 1.417 20 0 EDADMP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cs2)o1 ZINC000430612465 305059014 /nfs/dbraw/zinc/05/90/14/305059014.db2.gz RMZFNUPVEWABRV-ZDUSSCGKSA-N 2 1 348.472 1.998 20 0 EDADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cs2)o1 ZINC000430612465 305059015 /nfs/dbraw/zinc/05/90/15/305059015.db2.gz RMZFNUPVEWABRV-ZDUSSCGKSA-N 2 1 348.472 1.998 20 0 EDADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C[NH2+]CC2CC2)C[C@@H](C)O1 ZINC000430689482 305062353 /nfs/dbraw/zinc/06/23/53/305062353.db2.gz FBKCWJIMZLDPDL-HZPDHXFCSA-N 2 1 345.487 1.912 20 0 EDADMP COCC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000430771116 305064468 /nfs/dbraw/zinc/06/44/68/305064468.db2.gz BGNULFIIJCFPAO-ICSRJNTNSA-N 2 1 345.487 1.783 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000430803985 305064908 /nfs/dbraw/zinc/06/49/08/305064908.db2.gz WOPQLNJJTSGPTC-CRAIPNDOSA-N 2 1 331.460 1.885 20 0 EDADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000430803985 305064909 /nfs/dbraw/zinc/06/49/09/305064909.db2.gz WOPQLNJJTSGPTC-CRAIPNDOSA-N 2 1 331.460 1.885 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000430889527 305067032 /nfs/dbraw/zinc/06/70/32/305067032.db2.gz NVBCUGALKWLPTD-DLBZAZTESA-N 2 1 349.475 1.387 20 0 EDADMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)CCO1 ZINC000431063647 305073990 /nfs/dbraw/zinc/07/39/90/305073990.db2.gz GEZZJGXAJUENNK-CRAIPNDOSA-N 2 1 331.460 1.441 20 0 EDADMP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000433120394 305100852 /nfs/dbraw/zinc/10/08/52/305100852.db2.gz YSYSTWFGKQUEQN-JKSUJKDBSA-N 2 1 346.475 1.553 20 0 EDADMP [NH3+]C1CC[NH+](CCCC(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000433122363 305101091 /nfs/dbraw/zinc/10/10/91/305101091.db2.gz VOVBICVZFIAIAS-UHFFFAOYSA-N 3 1 344.503 1.364 20 0 EDADMP [NH3+]C1CC[NH+](CCCC(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000433122363 305101092 /nfs/dbraw/zinc/10/10/92/305101092.db2.gz VOVBICVZFIAIAS-UHFFFAOYSA-N 2 1 344.503 1.364 20 0 EDADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCO1 ZINC000433384673 305107149 /nfs/dbraw/zinc/10/71/49/305107149.db2.gz DSLPOTCESUKHFD-ZACQAIPSSA-N 2 1 340.512 1.659 20 0 EDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433385515 305107426 /nfs/dbraw/zinc/10/74/26/305107426.db2.gz BHRQVDRLJLMXLK-CVEARBPZSA-N 2 1 348.495 1.587 20 0 EDADMP C[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)[N@H+]1CCCC[C@H]1C ZINC000433387092 305107488 /nfs/dbraw/zinc/10/74/88/305107488.db2.gz QFUDMZVERMEZNO-ILXRZTDVSA-N 2 1 334.468 1.195 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000434279928 305119552 /nfs/dbraw/zinc/11/95/52/305119552.db2.gz BKHBAWQNHRGGHX-GJZGRUSLSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[N@H+]1C1CC1 ZINC000434279928 305119553 /nfs/dbraw/zinc/11/95/53/305119553.db2.gz BKHBAWQNHRGGHX-GJZGRUSLSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[NH+]1C1CC1 ZINC000434279928 305119554 /nfs/dbraw/zinc/11/95/54/305119554.db2.gz BKHBAWQNHRGGHX-GJZGRUSLSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H]1C[C@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[NH+]1C1CC1 ZINC000434279928 305119555 /nfs/dbraw/zinc/11/95/55/305119555.db2.gz BKHBAWQNHRGGHX-GJZGRUSLSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H]([NH3+])CCC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000434684560 305127660 /nfs/dbraw/zinc/12/76/60/305127660.db2.gz LQYZBBFECCXFSI-DZGCQCFKSA-N 2 1 332.448 1.450 20 0 EDADMP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000440956979 305214742 /nfs/dbraw/zinc/21/47/42/305214742.db2.gz LQFKCBWVXYHLRN-FUHWJXTLSA-N 2 1 336.524 1.536 20 0 EDADMP C[N@H+]1CCN(CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1(C)C ZINC000442964267 305232293 /nfs/dbraw/zinc/23/22/93/305232293.db2.gz KGDXQWMXFCVULB-QGZVFWFLSA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000442964267 305232294 /nfs/dbraw/zinc/23/22/94/305232294.db2.gz KGDXQWMXFCVULB-QGZVFWFLSA-N 2 1 336.524 1.536 20 0 EDADMP C[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC000442964267 305232295 /nfs/dbraw/zinc/23/22/95/305232295.db2.gz KGDXQWMXFCVULB-QGZVFWFLSA-N 2 1 336.524 1.536 20 0 EDADMP CS(=O)(=O)c1ccc(OCCC[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443055693 305234254 /nfs/dbraw/zinc/23/42/54/305234254.db2.gz BHVQVTMVOFGXPS-HNNXBMFYSA-N 2 1 340.489 1.920 20 0 EDADMP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000444355139 305246838 /nfs/dbraw/zinc/24/68/38/305246838.db2.gz XLBQAFJALGOXPU-MAUKXSAKSA-N 2 1 333.476 1.593 20 0 EDADMP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000444355139 305246839 /nfs/dbraw/zinc/24/68/39/305246839.db2.gz XLBQAFJALGOXPU-MAUKXSAKSA-N 2 1 333.476 1.593 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000446365063 305263775 /nfs/dbraw/zinc/26/37/75/305263775.db2.gz YUDTVJFOVFJIIC-TVKQPGBESA-N 2 1 349.519 1.709 20 0 EDADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000449234888 305309163 /nfs/dbraw/zinc/30/91/63/305309163.db2.gz RYHUTTMYYQLMSX-SFHVURJKSA-N 2 1 343.475 1.853 20 0 EDADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000449234888 305309164 /nfs/dbraw/zinc/30/91/64/305309164.db2.gz RYHUTTMYYQLMSX-SFHVURJKSA-N 2 1 343.475 1.853 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@@H]1CC ZINC000449347821 305312167 /nfs/dbraw/zinc/31/21/67/305312167.db2.gz JGDIEXMWIGQSDE-YESZJQIVSA-N 2 1 325.497 1.853 20 0 EDADMP CC[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000450247420 305328294 /nfs/dbraw/zinc/32/82/94/305328294.db2.gz XYGOWKFXWSBGEF-RBUKOAKNSA-N 2 1 347.503 1.860 20 0 EDADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C1 ZINC000414913006 447354850 /nfs/dbraw/zinc/35/48/50/447354850.db2.gz VMVFEWGYEAAUNA-HNNXBMFYSA-N 2 1 346.475 1.535 20 0 EDADMP COc1cccc(NC(=O)C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000516858066 305742858 /nfs/dbraw/zinc/74/28/58/305742858.db2.gz ZEMGRLNKQCZDFI-CRAIPNDOSA-N 2 1 347.459 1.852 20 0 EDADMP CC(C)C[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000521236276 305787120 /nfs/dbraw/zinc/78/71/20/305787120.db2.gz DYJVEJNQJQCPQK-HOTGVXAUSA-N 2 1 326.485 1.175 20 0 EDADMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000414928502 447361202 /nfs/dbraw/zinc/36/12/02/447361202.db2.gz QCXFQODNPUEZHX-MRXNPFEDSA-N 2 1 346.475 1.677 20 0 EDADMP CCN1CCO[C@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)C1 ZINC000456333500 447363870 /nfs/dbraw/zinc/36/38/70/447363870.db2.gz LPDVNTGHKQIXMP-HKUYNNGSSA-N 2 1 345.487 1.688 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@H](C)C2)C1 ZINC000456333500 447363874 /nfs/dbraw/zinc/36/38/74/447363874.db2.gz LPDVNTGHKQIXMP-HKUYNNGSSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)C1 ZINC000456333500 447363885 /nfs/dbraw/zinc/36/38/85/447363885.db2.gz LPDVNTGHKQIXMP-HKUYNNGSSA-N 2 1 345.487 1.688 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)C1 ZINC000456333500 447363888 /nfs/dbraw/zinc/36/38/88/447363888.db2.gz LPDVNTGHKQIXMP-HKUYNNGSSA-N 2 1 345.487 1.688 20 0 EDADMP C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000542823913 306059048 /nfs/dbraw/zinc/05/90/48/306059048.db2.gz UPOPLXJGFDAVSI-DOTOQJQBSA-N 2 1 338.496 1.029 20 0 EDADMP Cc1cc(COCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)on1 ZINC000549000733 306143566 /nfs/dbraw/zinc/14/35/66/306143566.db2.gz AASWDIOSJKVHTE-UHFFFAOYSA-N 2 1 345.403 1.285 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](C)C2)cn2cc[nH+]c12 ZINC000550865230 306154819 /nfs/dbraw/zinc/15/48/19/306154819.db2.gz VFPRUYHLCATPNQ-GFCCVEGCSA-N 2 1 329.404 1.039 20 0 EDADMP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cn2cc[nH+]c12 ZINC000550865230 306154820 /nfs/dbraw/zinc/15/48/20/306154820.db2.gz VFPRUYHLCATPNQ-GFCCVEGCSA-N 2 1 329.404 1.039 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000551891737 306165971 /nfs/dbraw/zinc/16/59/71/306165971.db2.gz CSUVZJWQYKPYTA-XDNAFOTISA-N 2 1 334.508 1.240 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000551891737 306165972 /nfs/dbraw/zinc/16/59/72/306165972.db2.gz CSUVZJWQYKPYTA-XDNAFOTISA-N 2 1 334.508 1.240 20 0 EDADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000551891737 306165973 /nfs/dbraw/zinc/16/59/73/306165973.db2.gz CSUVZJWQYKPYTA-XDNAFOTISA-N 2 1 334.508 1.240 20 0 EDADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)[C@@H]3CC[N@H+](C)C3)n2)c1C ZINC000556758259 306216231 /nfs/dbraw/zinc/21/62/31/306216231.db2.gz DCZQRURXAAHHBY-CYBMUJFWSA-N 2 1 344.419 1.237 20 0 EDADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)[C@@H]3CC[N@@H+](C)C3)n2)c1C ZINC000556758259 306216232 /nfs/dbraw/zinc/21/62/32/306216232.db2.gz DCZQRURXAAHHBY-CYBMUJFWSA-N 2 1 344.419 1.237 20 0 EDADMP Cc1noc(C)c1C(C)(C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000556886199 306220943 /nfs/dbraw/zinc/22/09/43/306220943.db2.gz QCMVQXVDEMONCW-UHFFFAOYSA-N 2 1 334.464 1.859 20 0 EDADMP C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC000557137477 306224806 /nfs/dbraw/zinc/22/48/06/306224806.db2.gz PSDIFECWEIKVDJ-HZPDHXFCSA-N 2 1 346.475 1.411 20 0 EDADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414975510 447381560 /nfs/dbraw/zinc/38/15/60/447381560.db2.gz LWPKGGUDXJFVKD-SWLSCSKDSA-N 2 1 326.282 1.873 20 0 EDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414985281 447385328 /nfs/dbraw/zinc/38/53/28/447385328.db2.gz HJKCNUBOFJWLKQ-KRWDZBQOSA-N 2 1 346.475 1.711 20 0 EDADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000415300946 447405551 /nfs/dbraw/zinc/40/55/51/447405551.db2.gz SFRHBEQKUOTCLL-HNNXBMFYSA-N 2 1 332.448 1.286 20 0 EDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419779589 447407484 /nfs/dbraw/zinc/40/74/84/447407484.db2.gz PLERDHWPDGAHHU-AWEZNQCLSA-N 2 1 338.496 1.001 20 0 EDADMP C[C@@H](CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000057700586 441127186 /nfs/dbraw/zinc/12/71/86/441127186.db2.gz MHPIMILTAWLLRG-KRWDZBQOSA-N 2 1 344.503 1.403 20 0 EDADMP C[C@@H](CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000057700586 441127191 /nfs/dbraw/zinc/12/71/91/441127191.db2.gz MHPIMILTAWLLRG-KRWDZBQOSA-N 2 1 344.503 1.403 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NCC[N@H+](C)C(C)C)[NH+](C)C ZINC000101975139 441164139 /nfs/dbraw/zinc/16/41/39/441164139.db2.gz PPRZSBFKTZJQAL-INIZCTEOSA-N 2 1 336.480 1.937 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)NCC[N@@H+](C)C(C)C)[NH+](C)C ZINC000101975139 441164142 /nfs/dbraw/zinc/16/41/42/441164142.db2.gz PPRZSBFKTZJQAL-INIZCTEOSA-N 2 1 336.480 1.937 20 0 EDADMP CCN(CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)Cc1ccoc1 ZINC000102408464 441168932 /nfs/dbraw/zinc/16/89/32/441168932.db2.gz PFBMCVNUOOHGQQ-KRWDZBQOSA-N 2 1 337.464 1.575 20 0 EDADMP CCN(CC(=O)NC[C@H]1CN(CC(C)C)CCO1)Cc1ccoc1 ZINC000102408464 441168933 /nfs/dbraw/zinc/16/89/33/441168933.db2.gz PFBMCVNUOOHGQQ-KRWDZBQOSA-N 2 1 337.464 1.575 20 0 EDADMP CN1CCO[C@H](CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000104776917 441207233 /nfs/dbraw/zinc/20/72/33/441207233.db2.gz NJUUEASKAWPJPJ-CABCVRRESA-N 2 1 336.436 1.046 20 0 EDADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000104791587 441208946 /nfs/dbraw/zinc/20/89/46/441208946.db2.gz SBEWABGAXRELCP-HUUCEWRRSA-N 2 1 326.485 1.127 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)C(C)C ZINC000104801377 441211964 /nfs/dbraw/zinc/21/19/64/441211964.db2.gz LXDZRHAPNQTJCM-UHFFFAOYSA-N 2 1 349.479 1.652 20 0 EDADMP C[NH+](C)CC(C)(C)CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000104823593 441213097 /nfs/dbraw/zinc/21/30/97/441213097.db2.gz NJSZWKZACHDGNH-SFHVURJKSA-N 2 1 347.503 1.888 20 0 EDADMP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000104880113 441218358 /nfs/dbraw/zinc/21/83/58/441218358.db2.gz WWSKVTHPNXSHDT-DOTOQJQBSA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000104880113 441218361 /nfs/dbraw/zinc/21/83/61/441218361.db2.gz WWSKVTHPNXSHDT-DOTOQJQBSA-N 2 1 344.459 1.417 20 0 EDADMP C[NH+]1CCC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000104880113 441218364 /nfs/dbraw/zinc/21/83/64/441218364.db2.gz WWSKVTHPNXSHDT-DOTOQJQBSA-N 2 1 344.459 1.417 20 0 EDADMP CC[N@H+]1CCC[C@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000073125194 441296543 /nfs/dbraw/zinc/29/65/43/441296543.db2.gz WWNOABPEFVYJLW-QGZVFWFLSA-N 2 1 337.508 1.870 20 0 EDADMP Cc1csc(NC(=O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000105862563 441293831 /nfs/dbraw/zinc/29/38/31/441293831.db2.gz NRXRTQVFGYYCNU-CYBMUJFWSA-N 2 1 340.493 1.415 20 0 EDADMP Cc1csc(NC(=O)C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000105862563 441293835 /nfs/dbraw/zinc/29/38/35/441293835.db2.gz NRXRTQVFGYYCNU-CYBMUJFWSA-N 2 1 340.493 1.415 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000074065054 441388057 /nfs/dbraw/zinc/38/80/57/441388057.db2.gz WHYBHBDCVHVEJE-GOSISDBHSA-N 2 1 348.491 1.481 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000074065054 441388062 /nfs/dbraw/zinc/38/80/62/441388062.db2.gz WHYBHBDCVHVEJE-GOSISDBHSA-N 2 1 348.491 1.481 20 0 EDADMP COCC[NH+](C)CCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000074065054 441388066 /nfs/dbraw/zinc/38/80/66/441388066.db2.gz WHYBHBDCVHVEJE-GOSISDBHSA-N 2 1 348.491 1.481 20 0 EDADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000107284000 441407855 /nfs/dbraw/zinc/40/78/55/441407855.db2.gz JPSMADYWVMCSNA-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000107284000 441407857 /nfs/dbraw/zinc/40/78/57/441407857.db2.gz JPSMADYWVMCSNA-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000107284000 441407858 /nfs/dbraw/zinc/40/78/58/441407858.db2.gz JPSMADYWVMCSNA-ROUUACIJSA-N 2 1 336.524 1.489 20 0 EDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(=O)OC)cc3)C2)CC1 ZINC000107368662 441412496 /nfs/dbraw/zinc/41/24/96/441412496.db2.gz HXBAWLAFYKCDIG-SFHVURJKSA-N 2 1 331.460 1.685 20 0 EDADMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000108547215 441463058 /nfs/dbraw/zinc/46/30/58/441463058.db2.gz PZGTVJFOQIGPRH-XHSDSOJGSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000108547215 441463061 /nfs/dbraw/zinc/46/30/61/441463061.db2.gz PZGTVJFOQIGPRH-XHSDSOJGSA-N 2 1 326.485 1.127 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000108547215 441463063 /nfs/dbraw/zinc/46/30/63/441463063.db2.gz PZGTVJFOQIGPRH-XHSDSOJGSA-N 2 1 326.485 1.127 20 0 EDADMP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000108589626 441465829 /nfs/dbraw/zinc/46/58/29/441465829.db2.gz SKHKSAFZXCHEDJ-IBGZPJMESA-N 2 1 344.503 1.898 20 0 EDADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000108589626 441465832 /nfs/dbraw/zinc/46/58/32/441465832.db2.gz SKHKSAFZXCHEDJ-IBGZPJMESA-N 2 1 344.503 1.898 20 0 EDADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000075718672 441551389 /nfs/dbraw/zinc/55/13/89/441551389.db2.gz WKJIXUPREJSUQL-MSOLQXFVSA-N 2 1 336.524 1.489 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCO)CCc2ccccc2)CC1 ZINC000114469811 441661086 /nfs/dbraw/zinc/66/10/86/441661086.db2.gz IEPPKEZIQGEUGK-UHFFFAOYSA-N 2 1 347.503 1.512 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCO)CCc2ccccc2)CC1 ZINC000114469811 441661089 /nfs/dbraw/zinc/66/10/89/441661089.db2.gz IEPPKEZIQGEUGK-UHFFFAOYSA-N 2 1 347.503 1.512 20 0 EDADMP Cn1cc(CC[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000077282354 441746090 /nfs/dbraw/zinc/74/60/90/441746090.db2.gz JBQOUXIARWLKCU-UHFFFAOYSA-N 2 1 341.503 1.712 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000174241189 441906285 /nfs/dbraw/zinc/90/62/85/441906285.db2.gz ILMMBWSTCKVZGT-HNNXBMFYSA-N 2 1 326.485 1.221 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000174241189 441906289 /nfs/dbraw/zinc/90/62/89/441906289.db2.gz ILMMBWSTCKVZGT-HNNXBMFYSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H](CCNC(=O)[C@H](C)N1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000174416988 441923164 /nfs/dbraw/zinc/92/31/64/441923164.db2.gz FFVLAJMVGQPBKL-ROUUACIJSA-N 2 1 346.519 1.649 20 0 EDADMP C[C@@H](CCNC(=O)[C@H](C)N1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000174416988 441923170 /nfs/dbraw/zinc/92/31/70/441923170.db2.gz FFVLAJMVGQPBKL-ROUUACIJSA-N 2 1 346.519 1.649 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1cccc(OC)c1 ZINC000174519174 441933873 /nfs/dbraw/zinc/93/38/73/441933873.db2.gz VZKIXZZEVZEDFH-QZTJIDSGSA-N 2 1 349.475 1.525 20 0 EDADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1cccc(OC)c1 ZINC000174519174 441933877 /nfs/dbraw/zinc/93/38/77/441933877.db2.gz VZKIXZZEVZEDFH-QZTJIDSGSA-N 2 1 349.475 1.525 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000119711321 441947770 /nfs/dbraw/zinc/94/77/70/441947770.db2.gz PITWXLSNTFCBSO-IOASZLSFSA-N 2 1 325.478 1.195 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC000494543526 447444528 /nfs/dbraw/zinc/44/45/28/447444528.db2.gz GKHIPKKANPVMMN-MSOLQXFVSA-N 2 1 345.487 1.860 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC000494543526 447444537 /nfs/dbraw/zinc/44/45/37/447444537.db2.gz GKHIPKKANPVMMN-MSOLQXFVSA-N 2 1 345.487 1.860 20 0 EDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000161891061 442040351 /nfs/dbraw/zinc/04/03/51/442040351.db2.gz BXPVETOOWWGJDV-IBGZPJMESA-N 2 1 346.519 1.879 20 0 EDADMP CCC[N@@H+](CC)CCNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000175770976 442118943 /nfs/dbraw/zinc/11/89/43/442118943.db2.gz BYKRKPNXSSCXQR-UHFFFAOYSA-N 2 1 349.479 1.654 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000162474113 442096546 /nfs/dbraw/zinc/09/65/46/442096546.db2.gz IBBCTULQGRNQQG-YCPHGPKFSA-N 2 1 325.478 1.283 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000162509917 442099345 /nfs/dbraw/zinc/09/93/45/442099345.db2.gz VWERSUGBASCMCH-MOPGFXCFSA-N 3 1 340.556 1.351 20 0 EDADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCCN(c2ccccn2)C1)C1CC1 ZINC000127226960 442182985 /nfs/dbraw/zinc/18/29/85/442182985.db2.gz MWKYJBCCAQOCQY-OAHLLOKOSA-N 2 1 331.464 1.834 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000127256861 442186392 /nfs/dbraw/zinc/18/63/92/442186392.db2.gz BMYWPJZPYLALCS-LXZKKBNFSA-N 2 1 331.464 1.991 20 0 EDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000127256861 442186396 /nfs/dbraw/zinc/18/63/96/442186396.db2.gz BMYWPJZPYLALCS-LXZKKBNFSA-N 2 1 331.464 1.991 20 0 EDADMP Cc1cc(OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc(C)[nH+]1 ZINC000128205680 442252517 /nfs/dbraw/zinc/25/25/17/442252517.db2.gz YBCZLBDWCBNMPW-KRWDZBQOSA-N 2 1 335.448 1.550 20 0 EDADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CSC[NH2+]2)CCOCC1)c1ccccc1 ZINC000168966497 442225600 /nfs/dbraw/zinc/22/56/00/442225600.db2.gz DTFQDEOJOBKBPA-GDBMZVCRSA-N 2 1 349.500 1.665 20 0 EDADMP CC[NH+](CC(=O)N1CCN(C(=O)C[N@H+](CC)C(C)C)CC1)C(C)C ZINC000128414287 442265499 /nfs/dbraw/zinc/26/54/99/442265499.db2.gz DBIUXIFTRNVLHR-UHFFFAOYSA-N 2 1 340.512 1.118 20 0 EDADMP COC(=O)CNC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176916814 442272699 /nfs/dbraw/zinc/27/26/99/442272699.db2.gz ZHVBIFUDLOSSSQ-NVXWUHKLSA-N 2 1 347.459 1.261 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000154073473 442320046 /nfs/dbraw/zinc/32/00/46/442320046.db2.gz YULJKJDKOSPWLV-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)NCC[N@H+]2CCCC[C@H]2CC)CC1 ZINC000154073473 442320047 /nfs/dbraw/zinc/32/00/47/442320047.db2.gz YULJKJDKOSPWLV-QGZVFWFLSA-N 2 1 340.512 1.615 20 0 EDADMP C[C@H]1C[C@@H](NC(=O)N2CCC([NH+](C)CCCO)CC2)C[N@H+]1C1CC1 ZINC000130257878 442342467 /nfs/dbraw/zinc/34/24/67/442342467.db2.gz WXKITEZMOJJBEA-LSDHHAIUSA-N 2 1 338.496 1.100 20 0 EDADMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000177521564 442352534 /nfs/dbraw/zinc/35/25/34/442352534.db2.gz GEQJYVJJVYXUQY-IRXDYDNUSA-N 2 1 347.507 1.621 20 0 EDADMP C[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)N1CC[NH+](C)CC1 ZINC000177237404 442317920 /nfs/dbraw/zinc/31/79/20/442317920.db2.gz NTXMNQXGQRREAP-INIZCTEOSA-N 2 1 336.524 1.536 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000131775977 442379758 /nfs/dbraw/zinc/37/97/58/442379758.db2.gz PBQQUNLEBWGAOF-AWEZNQCLSA-N 2 1 329.510 1.041 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000178826182 442496547 /nfs/dbraw/zinc/49/65/47/442496547.db2.gz DPOKXDSFRSCKFT-LPHOPBHVSA-N 2 1 345.487 1.863 20 0 EDADMP C[C@H]([NH3+])C1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000178826182 442496552 /nfs/dbraw/zinc/49/65/52/442496552.db2.gz DPOKXDSFRSCKFT-LPHOPBHVSA-N 2 1 345.487 1.863 20 0 EDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000178841898 442499733 /nfs/dbraw/zinc/49/97/33/442499733.db2.gz ZNKCSAMWJBPCSS-CVEARBPZSA-N 2 1 347.459 1.394 20 0 EDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000178841898 442499738 /nfs/dbraw/zinc/49/97/38/442499738.db2.gz ZNKCSAMWJBPCSS-CVEARBPZSA-N 2 1 347.459 1.394 20 0 EDADMP CC[C@@H](C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H](C)CC)CC1 ZINC000178734983 442468734 /nfs/dbraw/zinc/46/87/34/442468734.db2.gz ONYNYTWFENIAFZ-IYBDPMFKSA-N 2 1 340.512 1.118 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)[C@@H](C)CC)CC1 ZINC000178734983 442468738 /nfs/dbraw/zinc/46/87/38/442468738.db2.gz ONYNYTWFENIAFZ-IYBDPMFKSA-N 2 1 340.512 1.118 20 0 EDADMP CC[C@@H](C)[N@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)[C@@H](C)CC)CC1 ZINC000178734983 442468742 /nfs/dbraw/zinc/46/87/42/442468742.db2.gz ONYNYTWFENIAFZ-IYBDPMFKSA-N 2 1 340.512 1.118 20 0 EDADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000186136403 442469990 /nfs/dbraw/zinc/46/99/90/442469990.db2.gz BDIOFBCVLAOSQP-DLBZAZTESA-N 2 1 339.528 1.138 20 0 EDADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000172532024 442482395 /nfs/dbraw/zinc/48/23/95/442482395.db2.gz DYNRIAZAPAIPHF-ZDUSSCGKSA-N 2 1 327.469 1.106 20 0 EDADMP C[NH+](C)CC1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000178982639 442545217 /nfs/dbraw/zinc/54/52/17/442545217.db2.gz PCGXVCTXQUXHKW-UHFFFAOYSA-N 2 1 325.497 1.726 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156730634 442514729 /nfs/dbraw/zinc/51/47/29/442514729.db2.gz NHUWKCOPVXLOCF-KRWDZBQOSA-N 2 1 340.512 1.615 20 0 EDADMP CN1CC[NH+](CCOc2ccc(NC(=O)C[NH2+]CC3CC3)cc2)CC1 ZINC000178891334 442516706 /nfs/dbraw/zinc/51/67/06/442516706.db2.gz UYDPSGIYOPULRU-UHFFFAOYSA-N 2 1 346.475 1.251 20 0 EDADMP O[C@H](COC1CCOCC1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134883393 442531823 /nfs/dbraw/zinc/53/18/23/442531823.db2.gz MWTVKQCFBUEGPR-AYBZRNKSSA-N 2 1 338.492 1.492 20 0 EDADMP O[C@H](COC1CCOCC1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134883393 442531827 /nfs/dbraw/zinc/53/18/27/442531827.db2.gz MWTVKQCFBUEGPR-AYBZRNKSSA-N 2 1 338.492 1.492 20 0 EDADMP O[C@H](COC1CCOCC1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134883393 442531832 /nfs/dbraw/zinc/53/18/32/442531832.db2.gz MWTVKQCFBUEGPR-AYBZRNKSSA-N 2 1 338.492 1.492 20 0 EDADMP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000180310300 442578040 /nfs/dbraw/zinc/57/80/40/442578040.db2.gz IBLXXJLMLFQXHG-KRWDZBQOSA-N 2 1 348.491 1.528 20 0 EDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000180310300 442578043 /nfs/dbraw/zinc/57/80/43/442578043.db2.gz IBLXXJLMLFQXHG-KRWDZBQOSA-N 2 1 348.491 1.528 20 0 EDADMP COCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000179151670 442583509 /nfs/dbraw/zinc/58/35/09/442583509.db2.gz GEMPUWZWTNGCSO-IRXDYDNUSA-N 2 1 334.464 1.309 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179151670 442583516 /nfs/dbraw/zinc/58/35/16/442583516.db2.gz GEMPUWZWTNGCSO-IRXDYDNUSA-N 2 1 334.464 1.309 20 0 EDADMP COCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179151670 442583520 /nfs/dbraw/zinc/58/35/20/442583520.db2.gz GEMPUWZWTNGCSO-IRXDYDNUSA-N 2 1 334.464 1.309 20 0 EDADMP CC1CC[NH+](CCNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000187398001 442674181 /nfs/dbraw/zinc/67/41/81/442674181.db2.gz CTENQVJWCBUTMO-MRXNPFEDSA-N 2 1 340.512 1.205 20 0 EDADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3C[N@H+](CC)CCO3)c2)CC1 ZINC000187406205 442674811 /nfs/dbraw/zinc/67/48/11/442674811.db2.gz JEDODMCIPZWJQA-SFHVURJKSA-N 2 1 346.475 1.488 20 0 EDADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)c2)CC1 ZINC000187406205 442674813 /nfs/dbraw/zinc/67/48/13/442674813.db2.gz JEDODMCIPZWJQA-SFHVURJKSA-N 2 1 346.475 1.488 20 0 EDADMP CCCNC(=O)[C@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192727980 442680809 /nfs/dbraw/zinc/68/08/09/442680809.db2.gz CNBRHVDACOYSJQ-SFHVURJKSA-N 2 1 338.540 1.641 20 0 EDADMP COC[C@@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000187886026 442696525 /nfs/dbraw/zinc/69/65/25/442696525.db2.gz SZUWOYPJDPPYHU-YJBOKZPZSA-N 2 1 333.476 1.756 20 0 EDADMP C[NH+]1CCC(Oc2ccc(NC(=O)CCc3cnc[nH]3)cn2)CC1 ZINC000193678064 442766719 /nfs/dbraw/zinc/76/67/19/442766719.db2.gz VLTDQZJBFDJJJJ-UHFFFAOYSA-N 2 1 329.404 1.849 20 0 EDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000246384247 442777149 /nfs/dbraw/zinc/77/71/49/442777149.db2.gz RVSAMIBAQGLSKS-ARFHVFGLSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000246384247 442777152 /nfs/dbraw/zinc/77/71/52/442777152.db2.gz RVSAMIBAQGLSKS-ARFHVFGLSA-N 2 1 326.485 1.079 20 0 EDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000246384247 442777156 /nfs/dbraw/zinc/77/71/56/442777156.db2.gz RVSAMIBAQGLSKS-ARFHVFGLSA-N 2 1 326.485 1.079 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246382833 442777906 /nfs/dbraw/zinc/77/79/06/442777906.db2.gz IKQDYXWZQLEZJP-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000246433176 442780643 /nfs/dbraw/zinc/78/06/43/442780643.db2.gz TVLGQQAEKFTYDF-DLBZAZTESA-N 2 1 340.512 1.471 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000247104103 442836252 /nfs/dbraw/zinc/83/62/52/442836252.db2.gz XZVLPDNFAAJVJY-IXDOHACOSA-N 2 1 343.512 1.205 20 0 EDADMP COCCC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247104103 442836256 /nfs/dbraw/zinc/83/62/56/442836256.db2.gz XZVLPDNFAAJVJY-IXDOHACOSA-N 2 1 343.512 1.205 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247104103 442836260 /nfs/dbraw/zinc/83/62/60/442836260.db2.gz XZVLPDNFAAJVJY-IXDOHACOSA-N 2 1 343.512 1.205 20 0 EDADMP COCCC[NH+](C)CCNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247104103 442836264 /nfs/dbraw/zinc/83/62/64/442836264.db2.gz XZVLPDNFAAJVJY-IXDOHACOSA-N 2 1 343.512 1.205 20 0 EDADMP C[C@H]1CN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H]1[NH+](C)C ZINC000268220850 442905695 /nfs/dbraw/zinc/90/56/95/442905695.db2.gz OPCMLOQAGVWUAB-YOEHRIQHSA-N 2 1 336.455 1.849 20 0 EDADMP C[N@@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000194704772 442940260 /nfs/dbraw/zinc/94/02/60/442940260.db2.gz DJRFHTAVAOGIRY-GOSISDBHSA-N 2 1 330.476 1.015 20 0 EDADMP C[N@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000194704772 442940265 /nfs/dbraw/zinc/94/02/65/442940265.db2.gz DJRFHTAVAOGIRY-GOSISDBHSA-N 2 1 330.476 1.015 20 0 EDADMP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000195126515 442986104 /nfs/dbraw/zinc/98/61/04/442986104.db2.gz HHRMPDSWEIJEKP-INIZCTEOSA-N 2 1 334.464 1.520 20 0 EDADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000195184333 442994746 /nfs/dbraw/zinc/99/47/46/442994746.db2.gz IDLAVNLJPPMEMA-ZDUSSCGKSA-N 2 1 337.386 1.194 20 0 EDADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000195184333 442994747 /nfs/dbraw/zinc/99/47/47/442994747.db2.gz IDLAVNLJPPMEMA-ZDUSSCGKSA-N 2 1 337.386 1.194 20 0 EDADMP C[C@H](CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000266074802 443008539 /nfs/dbraw/zinc/00/85/39/443008539.db2.gz AIQHNTMFVLBDLZ-IAGOWNOFSA-N 2 1 332.492 1.259 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000249731326 443002045 /nfs/dbraw/zinc/00/20/45/443002045.db2.gz AHMPRSBBNLGPOR-JKSUJKDBSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000268878623 443135149 /nfs/dbraw/zinc/13/51/49/443135149.db2.gz XCVFFGVLKNYUOZ-AEFFLSMTSA-N 3 1 335.492 1.734 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000268770342 443103717 /nfs/dbraw/zinc/10/37/17/443103717.db2.gz POCICCOLOSWJTP-SMOSDQRPSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000268770342 443103720 /nfs/dbraw/zinc/10/37/20/443103720.db2.gz POCICCOLOSWJTP-SMOSDQRPSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000268770342 443103723 /nfs/dbraw/zinc/10/37/23/443103723.db2.gz POCICCOLOSWJTP-SMOSDQRPSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000268770342 443103726 /nfs/dbraw/zinc/10/37/26/443103726.db2.gz POCICCOLOSWJTP-SMOSDQRPSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000268770342 443103728 /nfs/dbraw/zinc/10/37/28/443103728.db2.gz POCICCOLOSWJTP-SMOSDQRPSA-N 2 1 331.504 1.724 20 0 EDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268810000 443115989 /nfs/dbraw/zinc/11/59/89/443115989.db2.gz DNAVHZCCVMIKFD-SJLPKXTDSA-N 3 1 335.492 1.734 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)[NH+](C)C ZINC000237198914 443163459 /nfs/dbraw/zinc/16/34/59/443163459.db2.gz IAXAJFKLPSAQAG-GDBMZVCRSA-N 2 1 335.448 1.183 20 0 EDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccc(NC(N)=O)cc1 ZINC000261857179 443172821 /nfs/dbraw/zinc/17/28/21/443172821.db2.gz BTTOOBMONVEUGU-DXEWXGHRSA-N 2 1 332.448 1.985 20 0 EDADMP c1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261913257 443173682 /nfs/dbraw/zinc/17/36/82/443173682.db2.gz JHCPDYDPWNMIIL-GUDVDZBRSA-N 2 1 345.487 1.770 20 0 EDADMP COC(=O)C(C)(C)CC[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262029393 443180482 /nfs/dbraw/zinc/18/04/82/443180482.db2.gz XADNIJNNURAYNU-OAHLLOKOSA-N 2 1 348.491 1.954 20 0 EDADMP COC(=O)C(C)(C)CC[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262029393 443180487 /nfs/dbraw/zinc/18/04/87/443180487.db2.gz XADNIJNNURAYNU-OAHLLOKOSA-N 2 1 348.491 1.954 20 0 EDADMP O=C(CCCCN1CCOCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000263945708 443242421 /nfs/dbraw/zinc/24/24/21/443242421.db2.gz VYWJSMDOKDFAQY-IBGZPJMESA-N 2 1 345.487 1.880 20 0 EDADMP O=C(CCCC[NH+]1CCOCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000263945708 443242426 /nfs/dbraw/zinc/24/24/26/443242426.db2.gz VYWJSMDOKDFAQY-IBGZPJMESA-N 2 1 345.487 1.880 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000269241164 443247112 /nfs/dbraw/zinc/24/71/12/443247112.db2.gz QTKIEBPDSPBOIR-SWLSCSKDSA-N 2 1 325.840 1.437 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)CC1 ZINC000411920995 319213863 /nfs/dbraw/zinc/21/38/63/319213863.db2.gz CXCFRAAWWWMVHJ-MOPGFXCFSA-N 2 1 345.487 1.783 20 0 EDADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)CC1 ZINC000411920995 319213866 /nfs/dbraw/zinc/21/38/66/319213866.db2.gz CXCFRAAWWWMVHJ-MOPGFXCFSA-N 2 1 345.487 1.783 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000414654576 319336777 /nfs/dbraw/zinc/33/67/77/319336777.db2.gz GFXZPIGVAMMSFB-OAHLLOKOSA-N 2 1 344.415 1.357 20 0 EDADMP CN1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000414672026 319339335 /nfs/dbraw/zinc/33/93/35/319339335.db2.gz OSNNGRXOXJAUSI-WMZOPIPTSA-N 2 1 330.476 1.172 20 0 EDADMP C[N@@H+](CCn1cncn1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000264305999 443259122 /nfs/dbraw/zinc/25/91/22/443259122.db2.gz XQFUMPJOVMFUEF-IBGZPJMESA-N 2 1 343.475 1.656 20 0 EDADMP C[C@@H]1C[NH+](CCCNC(=O)C[N@@H+](C)[C@H]2CCSC2)C[C@@H](C)O1 ZINC000245994655 443261192 /nfs/dbraw/zinc/26/11/92/443261192.db2.gz XLVXKIPSXUPCLB-KFWWJZLASA-N 2 1 329.510 1.039 20 0 EDADMP COc1ccccc1[C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C ZINC000416828316 319464674 /nfs/dbraw/zinc/46/46/74/319464674.db2.gz DQBHRHUKEUZYLV-OAHLLOKOSA-N 2 1 336.480 1.924 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC(C)(C)O ZINC000267174550 443368253 /nfs/dbraw/zinc/36/82/53/443368253.db2.gz VXEYUQHKMJXIPV-NVXWUHKLSA-N 2 1 333.476 1.468 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)O ZINC000267174550 443368254 /nfs/dbraw/zinc/36/82/54/443368254.db2.gz VXEYUQHKMJXIPV-NVXWUHKLSA-N 2 1 333.476 1.468 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(C)(C)O ZINC000267174550 443368255 /nfs/dbraw/zinc/36/82/55/443368255.db2.gz VXEYUQHKMJXIPV-NVXWUHKLSA-N 2 1 333.476 1.468 20 0 EDADMP C[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264679816 443371544 /nfs/dbraw/zinc/37/15/44/443371544.db2.gz OCRJUVVQJYUXNV-SJLPKXTDSA-N 2 1 330.476 1.043 20 0 EDADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000264679816 443371548 /nfs/dbraw/zinc/37/15/48/443371548.db2.gz OCRJUVVQJYUXNV-SJLPKXTDSA-N 2 1 330.476 1.043 20 0 EDADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000264764207 443413330 /nfs/dbraw/zinc/41/33/30/443413330.db2.gz ONFNIIIKDSFOCD-OALUTQOASA-N 2 1 344.503 1.261 20 0 EDADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000264764207 443413333 /nfs/dbraw/zinc/41/33/33/443413333.db2.gz ONFNIIIKDSFOCD-OALUTQOASA-N 2 1 344.503 1.261 20 0 EDADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000264764207 443413335 /nfs/dbraw/zinc/41/33/35/443413335.db2.gz ONFNIIIKDSFOCD-OALUTQOASA-N 2 1 344.503 1.261 20 0 EDADMP CN(CCOc1ccccc1F)C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420367976 319610728 /nfs/dbraw/zinc/61/07/28/319610728.db2.gz SWTSJLHBAJETEY-MRXNPFEDSA-N 2 1 337.439 1.641 20 0 EDADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000282801561 443437528 /nfs/dbraw/zinc/43/75/28/443437528.db2.gz MWCHFGGTDQPDRB-QZTJIDSGSA-N 2 1 345.487 1.734 20 0 EDADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000282801561 443437530 /nfs/dbraw/zinc/43/75/30/443437530.db2.gz MWCHFGGTDQPDRB-QZTJIDSGSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000282801561 443437531 /nfs/dbraw/zinc/43/75/31/443437531.db2.gz MWCHFGGTDQPDRB-QZTJIDSGSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000282801561 443437533 /nfs/dbraw/zinc/43/75/33/443437533.db2.gz MWCHFGGTDQPDRB-QZTJIDSGSA-N 2 1 345.487 1.734 20 0 EDADMP C[NH+](C)Cc1cccc(CNC(=O)NCC[NH+]2CCSCC2)c1 ZINC000264853931 443453940 /nfs/dbraw/zinc/45/39/40/443453940.db2.gz MCOWOIGLWDXFLM-UHFFFAOYSA-N 2 1 336.505 1.596 20 0 EDADMP C[N@@H+](C[C@@H]1CNC(=O)O1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000269951598 443456397 /nfs/dbraw/zinc/45/63/97/443456397.db2.gz GOQMFQVNZPDMEW-ZWKOTPCHSA-N 2 1 347.459 1.472 20 0 EDADMP CCCOc1ccc2c(c1)CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000283096851 443521883 /nfs/dbraw/zinc/52/18/83/443521883.db2.gz LMWQFLXYBDHVDU-UHFFFAOYSA-N 2 1 345.487 1.998 20 0 EDADMP CCCOc1ccc2c(c1)CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000283096851 443521885 /nfs/dbraw/zinc/52/18/85/443521885.db2.gz LMWQFLXYBDHVDU-UHFFFAOYSA-N 2 1 345.487 1.998 20 0 EDADMP COCC[C@@]1(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CC[NH2+]C1 ZINC000423764458 319813064 /nfs/dbraw/zinc/81/30/64/319813064.db2.gz VUBXZTAPRYOBOQ-SFHVURJKSA-N 2 1 334.464 1.217 20 0 EDADMP CC[NH+](C)CCNC(=O)c1ccc(C(=O)NCC[N@H+](C)CC)cc1 ZINC000265190148 443564089 /nfs/dbraw/zinc/56/40/89/443564089.db2.gz URZGZTHVGWUNNH-UHFFFAOYSA-N 2 1 334.464 1.050 20 0 EDADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000265140267 443547193 /nfs/dbraw/zinc/54/71/93/443547193.db2.gz VKPWNIHFZKFLSB-FUHWJXTLSA-N 2 1 332.492 1.432 20 0 EDADMP COc1cc(C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc(OC)c1 ZINC000283498474 443647341 /nfs/dbraw/zinc/64/73/41/443647341.db2.gz KDZXTRUDLYYEBQ-UHFFFAOYSA-N 2 1 335.448 1.300 20 0 EDADMP COc1cc(C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc(OC)c1 ZINC000283498474 443647343 /nfs/dbraw/zinc/64/73/43/443647343.db2.gz KDZXTRUDLYYEBQ-UHFFFAOYSA-N 2 1 335.448 1.300 20 0 EDADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000286087027 443643131 /nfs/dbraw/zinc/64/31/31/443643131.db2.gz MNVIMZVBMNCGRE-ZDUSSCGKSA-N 2 1 333.432 1.779 20 0 EDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC[C@@H]2OC)[C@@H](C)C1 ZINC000453299178 320262852 /nfs/dbraw/zinc/26/28/52/320262852.db2.gz UEUSLPSNEGFQSR-XSLAGTTESA-N 2 1 328.497 1.765 20 0 EDADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000457705669 320332561 /nfs/dbraw/zinc/33/25/61/320332561.db2.gz ZOCMSPAPWJLFPS-RDJZCZTQSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000457705669 320332562 /nfs/dbraw/zinc/33/25/62/320332562.db2.gz ZOCMSPAPWJLFPS-RDJZCZTQSA-N 2 1 340.512 1.205 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000479373014 320355427 /nfs/dbraw/zinc/35/54/27/320355427.db2.gz AQUCMZJMZYKPEH-NXOAAHMSSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000479373014 320355428 /nfs/dbraw/zinc/35/54/28/320355428.db2.gz AQUCMZJMZYKPEH-NXOAAHMSSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000479373014 320355429 /nfs/dbraw/zinc/35/54/29/320355429.db2.gz AQUCMZJMZYKPEH-NXOAAHMSSA-N 2 1 340.512 1.203 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488375895 320358064 /nfs/dbraw/zinc/35/80/64/320358064.db2.gz RPEWKQVLBDWBTD-GVDBMIGSSA-N 2 1 340.512 1.326 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488375895 320358065 /nfs/dbraw/zinc/35/80/65/320358065.db2.gz RPEWKQVLBDWBTD-GVDBMIGSSA-N 2 1 340.512 1.326 20 0 EDADMP COCC[NH+](C)CCCNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488375895 320358066 /nfs/dbraw/zinc/35/80/66/320358066.db2.gz RPEWKQVLBDWBTD-GVDBMIGSSA-N 2 1 340.512 1.326 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000492814324 320387123 /nfs/dbraw/zinc/38/71/23/320387123.db2.gz AGZYNNNJLFIRLL-KRWDZBQOSA-N 2 1 339.524 1.972 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000276424537 443702485 /nfs/dbraw/zinc/70/24/85/443702485.db2.gz LMROFNYUPKKRCQ-SJLPKXTDSA-N 2 1 347.507 1.885 20 0 EDADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2c[nH+]cn2C)c(OC)c1 ZINC000530513111 320629168 /nfs/dbraw/zinc/62/91/68/320629168.db2.gz DPJRIHJHJSUTGB-ZDUSSCGKSA-N 2 1 346.431 1.987 20 0 EDADMP O=C(C(=O)N1CCCC[C@@H]1c1ncc[nH]1)N1CC[NH+](C2CCC2)CC1 ZINC000298882247 443891508 /nfs/dbraw/zinc/89/15/08/443891508.db2.gz ZFDOGCORBMCWCC-OAHLLOKOSA-N 2 1 345.447 1.160 20 0 EDADMP O=C(Cn1c[nH+]c2c1CCCC2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000539785326 320754200 /nfs/dbraw/zinc/75/42/00/320754200.db2.gz PIMHQYDTDJBZGH-HNNXBMFYSA-N 2 1 346.475 1.379 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCS(=O)(=O)N(C)C ZINC000285377896 443961039 /nfs/dbraw/zinc/96/10/39/443961039.db2.gz RSMRRRFKRSXLBS-WBVHZDCISA-N 2 1 339.505 1.378 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000285377896 443961044 /nfs/dbraw/zinc/96/10/44/443961044.db2.gz RSMRRRFKRSXLBS-WBVHZDCISA-N 2 1 339.505 1.378 20 0 EDADMP O=Cc1c[nH]c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000293320597 443982811 /nfs/dbraw/zinc/98/28/11/443982811.db2.gz FYURENHFZPBGQD-UHFFFAOYSA-N 2 1 341.415 1.164 20 0 EDADMP Cc1[nH+]ccn1CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000299470762 444055003 /nfs/dbraw/zinc/05/50/03/444055003.db2.gz GTFRLAASOQESBJ-QGZVFWFLSA-N 2 1 329.448 1.664 20 0 EDADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1(CO)CC1 ZINC000285558821 444028554 /nfs/dbraw/zinc/02/85/54/444028554.db2.gz RJHGKRXZUDTTHS-UHFFFAOYSA-N 2 1 331.460 1.355 20 0 EDADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1(CO)CC1 ZINC000285558821 444028559 /nfs/dbraw/zinc/02/85/59/444028559.db2.gz RJHGKRXZUDTTHS-UHFFFAOYSA-N 2 1 331.460 1.355 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000285703002 444078443 /nfs/dbraw/zinc/07/84/43/444078443.db2.gz CEWYFUUIPFCKHI-BPQIPLTHSA-N 2 1 331.460 1.534 20 0 EDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH+]3C)c2)CCO1 ZINC000299572936 444082404 /nfs/dbraw/zinc/08/24/04/444082404.db2.gz RXETWFWHVNERFV-MAUKXSAKSA-N 2 1 331.460 1.618 20 0 EDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCC[NH+]3C)c2)CCO1 ZINC000299572936 444082409 /nfs/dbraw/zinc/08/24/09/444082409.db2.gz RXETWFWHVNERFV-MAUKXSAKSA-N 2 1 331.460 1.618 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)[C@H]3CCC[N@@H+]3C)c2)CCO1 ZINC000299572936 444082413 /nfs/dbraw/zinc/08/24/13/444082413.db2.gz RXETWFWHVNERFV-MAUKXSAKSA-N 2 1 331.460 1.618 20 0 EDADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)[C@H]3CCC[N@H+]3C)c2)CCO1 ZINC000299572936 444082417 /nfs/dbraw/zinc/08/24/17/444082417.db2.gz RXETWFWHVNERFV-MAUKXSAKSA-N 2 1 331.460 1.618 20 0 EDADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000557242037 321001237 /nfs/dbraw/zinc/00/12/37/321001237.db2.gz XAYQXGWCIJFETJ-GOSISDBHSA-N 2 1 346.475 1.201 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)[C@@H](C)CO)CC2)CC1 ZINC000561284333 321038781 /nfs/dbraw/zinc/03/87/81/321038781.db2.gz AZPYIAXMTUVSAF-GJZGRUSLSA-N 2 1 325.497 1.316 20 0 EDADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC(C)(C)CN2CCOCC2)C1 ZINC000562726983 321073054 /nfs/dbraw/zinc/07/30/54/321073054.db2.gz RSZKROUOTWKXHA-MRXNPFEDSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)C1C[NH2+]C1 ZINC000562959432 321083824 /nfs/dbraw/zinc/08/38/24/321083824.db2.gz NTPOUKLMVZAFJF-CQSZACIVSA-N 2 1 337.489 1.310 20 0 EDADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000563960519 321117802 /nfs/dbraw/zinc/11/78/02/321117802.db2.gz STVADHYODZFJFB-CJNGLKHVSA-N 2 1 330.432 1.011 20 0 EDADMP C[NH+](C)CCn1ccc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)n1 ZINC000563970239 321118243 /nfs/dbraw/zinc/11/82/43/321118243.db2.gz JKIANUQLNABNDB-UHFFFAOYSA-N 2 1 333.480 1.535 20 0 EDADMP C[N@@H+](C[C@H](O)CNCc1cccc(NC(=O)[C@H]2CCCO2)c1)C1CC1 ZINC000564444325 321132022 /nfs/dbraw/zinc/13/20/22/321132022.db2.gz NTKIYYJCFFOLIB-QZTJIDSGSA-N 2 1 347.459 1.349 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@H](C)[C@H]3C)CC2)CC1 ZINC000565182544 321174373 /nfs/dbraw/zinc/17/43/73/321174373.db2.gz NHGKHNRBURNPMJ-HZPDHXFCSA-N 2 1 337.508 1.819 20 0 EDADMP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000566000505 321209588 /nfs/dbraw/zinc/20/95/88/321209588.db2.gz GBHLIFONQGJJPH-OLZOCXBDSA-N 2 1 333.461 1.839 20 0 EDADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000566000505 321209590 /nfs/dbraw/zinc/20/95/90/321209590.db2.gz GBHLIFONQGJJPH-OLZOCXBDSA-N 2 1 333.461 1.839 20 0 EDADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1(C)C ZINC000566126113 321218772 /nfs/dbraw/zinc/21/87/72/321218772.db2.gz ZZIRVNIWBJYODD-KRWDZBQOSA-N 2 1 339.911 1.859 20 0 EDADMP C[C@@H]1CN(C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000569087076 321318095 /nfs/dbraw/zinc/31/80/95/321318095.db2.gz HRBCHZCOOFDWAZ-YVWKXTFCSA-N 2 1 344.503 1.882 20 0 EDADMP C[C@@H]1CN(C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000569087076 321318096 /nfs/dbraw/zinc/31/80/96/321318096.db2.gz HRBCHZCOOFDWAZ-YVWKXTFCSA-N 2 1 344.503 1.882 20 0 EDADMP C[C@]1(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000570028717 321334617 /nfs/dbraw/zinc/33/46/17/321334617.db2.gz KSJUXYVTUWDXGV-MJGOQNOKSA-N 2 1 330.476 1.950 20 0 EDADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000570811035 321359348 /nfs/dbraw/zinc/35/93/48/321359348.db2.gz XNGGTROYEUINFF-UHFFFAOYSA-N 2 1 346.475 1.677 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)C1 ZINC000570813800 321359609 /nfs/dbraw/zinc/35/96/09/321359609.db2.gz KKNZIQHLVWEAPV-GDBMZVCRSA-N 2 1 331.464 1.502 20 0 EDADMP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000282305900 444143318 /nfs/dbraw/zinc/14/33/18/444143318.db2.gz MSORIQLKAQGGFY-RDTXWAMCSA-N 2 1 333.451 1.947 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000289570098 444174127 /nfs/dbraw/zinc/17/41/27/444174127.db2.gz AWAWMGOMQYHWNO-LPHOPBHVSA-N 2 1 343.475 1.661 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000289570098 444174129 /nfs/dbraw/zinc/17/41/29/444174129.db2.gz AWAWMGOMQYHWNO-LPHOPBHVSA-N 2 1 343.475 1.661 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCCn2cc(CO)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000289740543 444197494 /nfs/dbraw/zinc/19/74/94/444197494.db2.gz KOPRGTBAULHWHA-SJLPKXTDSA-N 2 1 343.475 1.803 20 0 EDADMP C[C@@H]1C[C@H]([NH2+]CCCn2cc(CO)nn2)CC[N@H+]1Cc1ccccc1 ZINC000289740543 444197496 /nfs/dbraw/zinc/19/74/96/444197496.db2.gz KOPRGTBAULHWHA-SJLPKXTDSA-N 2 1 343.475 1.803 20 0 EDADMP Nc1nc(-n2cccn2)cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)[nH+]1 ZINC000301973299 444199139 /nfs/dbraw/zinc/19/91/39/444199139.db2.gz JNEUOUTYLBFIRJ-MJBXVCDLSA-N 2 1 325.420 1.165 20 0 EDADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000290033728 444233502 /nfs/dbraw/zinc/23/35/02/444233502.db2.gz UICMKTRWFXWUNK-CRAIPNDOSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@H](C(=O)NC1CCCC1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303345872 444236565 /nfs/dbraw/zinc/23/65/65/444236565.db2.gz ZVEZPEFMSYXDTM-LSDHHAIUSA-N 2 1 325.497 1.458 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000290061463 444237400 /nfs/dbraw/zinc/23/74/00/444237400.db2.gz VPMPYFSCCPRTSZ-YQVWRLOYSA-N 2 1 344.503 1.701 20 0 EDADMP CCC1(C)CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000337699533 444360798 /nfs/dbraw/zinc/36/07/98/444360798.db2.gz VNGZESWAGYIQCO-KRWDZBQOSA-N 2 1 339.524 1.972 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCC2)[C@H](C)C1 ZINC000337734124 444379997 /nfs/dbraw/zinc/37/99/97/444379997.db2.gz PRZFCPFGCYHVST-HZPDHXFCSA-N 2 1 326.485 1.128 20 0 EDADMP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000580657301 322079359 /nfs/dbraw/zinc/07/93/59/322079359.db2.gz MANNJXQSSPRNGM-ZDUSSCGKSA-N 2 1 336.461 1.693 20 0 EDADMP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000580657301 322079360 /nfs/dbraw/zinc/07/93/60/322079360.db2.gz MANNJXQSSPRNGM-ZDUSSCGKSA-N 2 1 336.461 1.693 20 0 EDADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000581061045 322130211 /nfs/dbraw/zinc/13/02/11/322130211.db2.gz BOFDARWKFCGUKL-BBWFWOEESA-N 2 1 334.439 1.746 20 0 EDADMP COc1ccccc1N1C(=O)C[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000581140167 322141440 /nfs/dbraw/zinc/14/14/40/322141440.db2.gz KKMGSJJJDVOCDG-UONOGXRCSA-N 2 1 331.416 1.259 20 0 EDADMP [NH3+]C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000581597163 322196706 /nfs/dbraw/zinc/19/67/06/322196706.db2.gz KPSQMZRPCOHEGD-IRXDYDNUSA-N 2 1 332.448 1.020 20 0 EDADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342131468 444525201 /nfs/dbraw/zinc/52/52/01/444525201.db2.gz HXNVGYTZCDGGEG-DKKFBQAASA-N 2 1 345.487 1.938 20 0 EDADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@H](O)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000343706391 444533994 /nfs/dbraw/zinc/53/39/94/444533994.db2.gz GWYHOAATYDDXFM-JZXOWHBKSA-N 2 1 342.524 1.984 20 0 EDADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@H](O)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000343706391 444533998 /nfs/dbraw/zinc/53/39/98/444533998.db2.gz GWYHOAATYDDXFM-JZXOWHBKSA-N 2 1 342.524 1.984 20 0 EDADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC000343780631 444586571 /nfs/dbraw/zinc/58/65/71/444586571.db2.gz AGDXGAIUOZGTJW-UHFFFAOYSA-N 2 1 330.432 1.065 20 0 EDADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1C ZINC000332921149 444597616 /nfs/dbraw/zinc/59/76/16/444597616.db2.gz HEFHEYVEJBMRCE-MAUKXSAKSA-N 2 1 345.491 1.828 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC000332963068 444612749 /nfs/dbraw/zinc/61/27/49/444612749.db2.gz ITACDPUXFWTMIC-IRXDYDNUSA-N 2 1 343.475 1.848 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC000332963068 444612753 /nfs/dbraw/zinc/61/27/53/444612753.db2.gz ITACDPUXFWTMIC-IRXDYDNUSA-N 2 1 343.475 1.848 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H]1CCC[NH2+]C1 ZINC000343894619 444651628 /nfs/dbraw/zinc/65/16/28/444651628.db2.gz VEGKGVVATJPCFD-HOTGVXAUSA-N 2 1 339.480 1.252 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCc3sccc3C2)CCC[N@@H+]1C ZINC000343899514 444655319 /nfs/dbraw/zinc/65/53/19/444655319.db2.gz YWBDLAJSPHKOIH-ZFWWWQNUSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCc3sccc3C2)CCC[N@H+]1C ZINC000343899514 444655324 /nfs/dbraw/zinc/65/53/24/444655324.db2.gz YWBDLAJSPHKOIH-ZFWWWQNUSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)CCC[NH+]1C ZINC000343899514 444655330 /nfs/dbraw/zinc/65/53/30/444655330.db2.gz YWBDLAJSPHKOIH-ZFWWWQNUSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H]1[C@@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)CCC[NH+]1C ZINC000343899514 444655335 /nfs/dbraw/zinc/65/53/35/444655335.db2.gz YWBDLAJSPHKOIH-ZFWWWQNUSA-N 2 1 336.505 1.888 20 0 EDADMP C[C@H](CC[NH+](C)C)NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000338333870 444639655 /nfs/dbraw/zinc/63/96/55/444639655.db2.gz YOLDUDRXFRKPTG-RBSFLKMASA-N 2 1 328.501 1.514 20 0 EDADMP Cn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)cn1 ZINC000333838343 444702100 /nfs/dbraw/zinc/70/21/00/444702100.db2.gz NSVSQPZXTIJRPQ-IRXDYDNUSA-N 2 1 348.495 1.155 20 0 EDADMP Cn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)cn1 ZINC000333838343 444702104 /nfs/dbraw/zinc/70/21/04/444702104.db2.gz NSVSQPZXTIJRPQ-IRXDYDNUSA-N 2 1 348.495 1.155 20 0 EDADMP COCCC[N@@H+](C)CCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000341196265 444722828 /nfs/dbraw/zinc/72/28/28/444722828.db2.gz GNFXRUCNHKQZRG-UHFFFAOYSA-N 2 1 328.501 1.328 20 0 EDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000333945123 444724885 /nfs/dbraw/zinc/72/48/85/444724885.db2.gz SMYCPYDUWREKCU-DOTOQJQBSA-N 2 1 344.459 1.206 20 0 EDADMP C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344026447 444737312 /nfs/dbraw/zinc/73/73/12/444737312.db2.gz JVKDFKSOEMVUDT-QGZVFWFLSA-N 2 1 326.529 1.593 20 0 EDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000341238802 444744160 /nfs/dbraw/zinc/74/41/60/444744160.db2.gz JOVODUCOXCWTIP-ATZDWAIDSA-N 2 1 344.503 1.941 20 0 EDADMP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CC[C@H]3CCCC[N@H+]3C)ncn2)C1 ZINC000334027696 444751531 /nfs/dbraw/zinc/75/15/31/444751531.db2.gz IMBWBFYMNLEQQR-GVDBMIGSSA-N 2 1 347.507 1.994 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000334043635 444758391 /nfs/dbraw/zinc/75/83/91/444758391.db2.gz PGTWTVUUAXMLCJ-GVDBMIGSSA-N 2 1 338.496 1.148 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@H](C)CC[NH+](C)C)C[C@@H]1CC ZINC000342648653 444795568 /nfs/dbraw/zinc/79/55/68/444795568.db2.gz KVZUBLSVLVKCKB-CVEARBPZSA-N 2 1 328.501 1.469 20 0 EDADMP C[N@@H+](C[C@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000336793783 444796916 /nfs/dbraw/zinc/79/69/16/444796916.db2.gz YIMXZNZKLJHVOS-ZVDOUQERSA-N 2 1 343.515 1.895 20 0 EDADMP C[NH+](C[C@H](O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000336793783 444796918 /nfs/dbraw/zinc/79/69/18/444796918.db2.gz YIMXZNZKLJHVOS-ZVDOUQERSA-N 2 1 343.515 1.895 20 0 EDADMP C[NH+](C[C@H](O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000336793783 444796922 /nfs/dbraw/zinc/79/69/22/444796922.db2.gz YIMXZNZKLJHVOS-ZVDOUQERSA-N 2 1 343.515 1.895 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000336858325 444806464 /nfs/dbraw/zinc/80/64/64/444806464.db2.gz YFIFOEKDPWFYFA-HNNXBMFYSA-N 2 1 328.482 1.233 20 0 EDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000336858325 444806467 /nfs/dbraw/zinc/80/64/67/444806467.db2.gz YFIFOEKDPWFYFA-HNNXBMFYSA-N 2 1 328.482 1.233 20 0 EDADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000342896099 444925724 /nfs/dbraw/zinc/92/57/24/444925724.db2.gz UKJBVPOYPIFBTQ-ZBFHGGJFSA-N 2 1 334.464 1.643 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCCOC3)CC2)C1 ZINC000342915717 444939818 /nfs/dbraw/zinc/93/98/18/444939818.db2.gz GGLFEDYWWBXYAI-ZWKOTPCHSA-N 2 1 325.497 1.140 20 0 EDADMP COCC[N@@H+](C)CCCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000341778180 444997312 /nfs/dbraw/zinc/99/73/12/444997312.db2.gz ZRNBVLLEYVZZRV-INIZCTEOSA-N 2 1 343.537 1.288 20 0 EDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000344485995 445004273 /nfs/dbraw/zinc/00/42/73/445004273.db2.gz CTRSTLGRKBZANJ-KRWDZBQOSA-N 2 1 347.507 1.733 20 0 EDADMP CCNC(=O)COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339065203 445016417 /nfs/dbraw/zinc/01/64/17/445016417.db2.gz CMXMWDSNSUBLQQ-IRXDYDNUSA-N 2 1 331.460 1.918 20 0 EDADMP CCNC(=O)COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339065203 445016423 /nfs/dbraw/zinc/01/64/23/445016423.db2.gz CMXMWDSNSUBLQQ-IRXDYDNUSA-N 2 1 331.460 1.918 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000343105672 445069694 /nfs/dbraw/zinc/06/96/94/445069694.db2.gz HWFNWUPKQSIMJR-QRQLOZEOSA-N 2 1 345.487 1.591 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000343105672 445069699 /nfs/dbraw/zinc/06/96/99/445069699.db2.gz HWFNWUPKQSIMJR-QRQLOZEOSA-N 2 1 345.487 1.591 20 0 EDADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000343105672 445069703 /nfs/dbraw/zinc/06/97/03/445069703.db2.gz HWFNWUPKQSIMJR-QRQLOZEOSA-N 2 1 345.487 1.591 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000337568053 445141785 /nfs/dbraw/zinc/14/17/85/445141785.db2.gz XMYIRJUHDDCEHD-GVDBMIGSSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000337568053 445141788 /nfs/dbraw/zinc/14/17/88/445141788.db2.gz XMYIRJUHDDCEHD-GVDBMIGSSA-N 2 1 338.496 1.269 20 0 EDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000337568053 445141791 /nfs/dbraw/zinc/14/17/91/445141791.db2.gz XMYIRJUHDDCEHD-GVDBMIGSSA-N 2 1 338.496 1.269 20 0 EDADMP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000343176315 445116624 /nfs/dbraw/zinc/11/66/24/445116624.db2.gz ZXDVNLROUKYPBH-JKSUJKDBSA-N 2 1 340.512 1.023 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@H]21 ZINC000342089603 445165528 /nfs/dbraw/zinc/16/55/28/445165528.db2.gz RZGKVQFHGLTNLG-NUEKZKHPSA-N 2 1 345.443 1.846 20 0 EDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@H]21 ZINC000342089603 445165535 /nfs/dbraw/zinc/16/55/35/445165535.db2.gz RZGKVQFHGLTNLG-NUEKZKHPSA-N 2 1 345.443 1.846 20 0 EDADMP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342115390 445179645 /nfs/dbraw/zinc/17/96/45/445179645.db2.gz XPGJVJRFPBNDOW-KCMWZYNZSA-N 2 1 333.451 1.932 20 0 EDADMP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[NH+]2CCC(C)CC2)[N@@H+](C)C1 ZINC000346236811 445209127 /nfs/dbraw/zinc/20/91/27/445209127.db2.gz MHMGKINWPVQHGQ-HZPDHXFCSA-N 2 1 326.485 1.079 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000343490420 445232842 /nfs/dbraw/zinc/23/28/42/445232842.db2.gz AAADBUWOOVIOKA-KGLIPLIRSA-N 2 1 339.823 1.093 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000343496430 445233935 /nfs/dbraw/zinc/23/39/35/445233935.db2.gz VPJBBNZXBSAUEV-KRWDZBQOSA-N 2 1 332.492 1.261 20 0 EDADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000343517955 445237409 /nfs/dbraw/zinc/23/74/09/445237409.db2.gz XNUAPXUHOZEFMT-BBRMVZONSA-N 2 1 349.450 1.999 20 0 EDADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000343517955 445237410 /nfs/dbraw/zinc/23/74/10/445237410.db2.gz XNUAPXUHOZEFMT-BBRMVZONSA-N 2 1 349.450 1.999 20 0 EDADMP C[C@@H]1[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCC[N@H+]1C ZINC000343655305 445285387 /nfs/dbraw/zinc/28/53/87/445285387.db2.gz OXNJLXVLGJKKEQ-QAPCUYQASA-N 2 1 348.491 1.909 20 0 EDADMP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000351719709 445290665 /nfs/dbraw/zinc/29/06/65/445290665.db2.gz SEKMWGYZDGMGAR-HZPDHXFCSA-N 2 1 326.485 1.271 20 0 EDADMP CC(C)C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000354671593 445334524 /nfs/dbraw/zinc/33/45/24/445334524.db2.gz CVGCSVHZJXPLTR-ROUUACIJSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[C@@H]1CCC[NH+]1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000354671593 445334528 /nfs/dbraw/zinc/33/45/28/445334528.db2.gz CVGCSVHZJXPLTR-ROUUACIJSA-N 2 1 339.524 1.970 20 0 EDADMP CC(C)C[C@@H]1CCC[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000354671593 445334531 /nfs/dbraw/zinc/33/45/31/445334531.db2.gz CVGCSVHZJXPLTR-ROUUACIJSA-N 2 1 339.524 1.970 20 0 EDADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000351837838 445338728 /nfs/dbraw/zinc/33/87/28/445338728.db2.gz IYJZVCAEEHQTDZ-NCOADZHNSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000351837838 445338730 /nfs/dbraw/zinc/33/87/30/445338730.db2.gz IYJZVCAEEHQTDZ-NCOADZHNSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000351837838 445338733 /nfs/dbraw/zinc/33/87/33/445338733.db2.gz IYJZVCAEEHQTDZ-NCOADZHNSA-N 2 1 340.512 1.203 20 0 EDADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351850580 445342817 /nfs/dbraw/zinc/34/28/17/445342817.db2.gz JDLKFIBDTRVQIU-ARFHVFGLSA-N 2 1 348.466 1.532 20 0 EDADMP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000351849728 445342900 /nfs/dbraw/zinc/34/29/00/445342900.db2.gz GYVRNZVCGRQNCY-DOTOQJQBSA-N 2 1 333.476 1.974 20 0 EDADMP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000351849728 445342905 /nfs/dbraw/zinc/34/29/05/445342905.db2.gz GYVRNZVCGRQNCY-DOTOQJQBSA-N 2 1 333.476 1.974 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)C1 ZINC000351852352 445343550 /nfs/dbraw/zinc/34/35/50/445343550.db2.gz NDXXWCOOPZBVCE-HRCADAONSA-N 2 1 346.475 1.098 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351857429 445344706 /nfs/dbraw/zinc/34/47/06/445344706.db2.gz BFUBOQNQZLMMJW-HUUCEWRRSA-N 2 1 334.439 1.143 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351857429 445344708 /nfs/dbraw/zinc/34/47/08/445344708.db2.gz BFUBOQNQZLMMJW-HUUCEWRRSA-N 2 1 334.439 1.143 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000351859050 445345071 /nfs/dbraw/zinc/34/50/71/445345071.db2.gz ZOVLTPWRTUHSCQ-YCPHGPKFSA-N 2 1 349.475 1.420 20 0 EDADMP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000351859050 445345074 /nfs/dbraw/zinc/34/50/74/445345074.db2.gz ZOVLTPWRTUHSCQ-YCPHGPKFSA-N 2 1 349.475 1.420 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCCCO[C@@H](C)c2ccccc2)C1 ZINC000351860987 445346305 /nfs/dbraw/zinc/34/63/05/445346305.db2.gz KENMMSUZSQOYGL-XYJFISCASA-N 2 1 333.476 1.940 20 0 EDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCCCO[C@@H](C)c2ccccc2)C1 ZINC000351860987 445346306 /nfs/dbraw/zinc/34/63/06/445346306.db2.gz KENMMSUZSQOYGL-XYJFISCASA-N 2 1 333.476 1.940 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000362479758 445404712 /nfs/dbraw/zinc/40/47/12/445404712.db2.gz OPMBDCNAKYKQMI-QAPCUYQASA-N 2 1 325.497 1.722 20 0 EDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000362483900 445406441 /nfs/dbraw/zinc/40/64/41/445406441.db2.gz FHHYWBOODCKTQZ-KRWDZBQOSA-N 2 1 336.524 1.489 20 0 EDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000362483900 445406447 /nfs/dbraw/zinc/40/64/47/445406447.db2.gz FHHYWBOODCKTQZ-KRWDZBQOSA-N 2 1 336.524 1.489 20 0 EDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000362483900 445406451 /nfs/dbraw/zinc/40/64/51/445406451.db2.gz FHHYWBOODCKTQZ-KRWDZBQOSA-N 2 1 336.524 1.489 20 0 EDADMP CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357081136 445414323 /nfs/dbraw/zinc/41/43/23/445414323.db2.gz MYQZAIVFLACZJO-INIZCTEOSA-N 2 1 344.459 1.905 20 0 EDADMP COc1ccc(Cl)cc1CN1CC[NH+](CCOCC[NH3+])CC1 ZINC000357086983 445419029 /nfs/dbraw/zinc/41/90/29/445419029.db2.gz VGKKTZQVCQVRHJ-UHFFFAOYSA-N 2 1 327.856 1.442 20 0 EDADMP CO[C@@H](C)c1nc(CN2CCC[N@@H+](CCOCC[NH3+])CC2)cs1 ZINC000357087321 445419168 /nfs/dbraw/zinc/41/91/68/445419168.db2.gz MVTZIGCAQYTEFU-AWEZNQCLSA-N 2 1 342.509 1.334 20 0 EDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000357088021 445419570 /nfs/dbraw/zinc/41/95/70/445419570.db2.gz NULJEZZRPJMCLM-OAHLLOKOSA-N 2 1 331.416 1.602 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000362523479 445423771 /nfs/dbraw/zinc/42/37/71/445423771.db2.gz FCHRIAOUWHACAN-VQIMIIECSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000362523479 445423775 /nfs/dbraw/zinc/42/37/75/445423775.db2.gz FCHRIAOUWHACAN-VQIMIIECSA-N 2 1 344.503 1.248 20 0 EDADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000362523479 445423782 /nfs/dbraw/zinc/42/37/82/445423782.db2.gz FCHRIAOUWHACAN-VQIMIIECSA-N 2 1 344.503 1.248 20 0 EDADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2cncs2)cc[nH+]1 ZINC000354918515 445433215 /nfs/dbraw/zinc/43/32/15/445433215.db2.gz ILKKTIVIQIUEAT-RYUDHWBXSA-N 2 1 336.440 1.706 20 0 EDADMP Cn1nccc1[C@H]1[C@@H](CNC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000348951339 445451910 /nfs/dbraw/zinc/45/19/10/445451910.db2.gz VHZSIGSRFXPMBG-NVXWUHKLSA-N 2 1 333.480 1.261 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C)CC[C@H]2C)C1 ZINC000355514315 445465814 /nfs/dbraw/zinc/46/58/14/445465814.db2.gz CPDDDSYVYIIAQR-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+](C)CC[C@H]2C)C1 ZINC000355514315 445465820 /nfs/dbraw/zinc/46/58/20/445465820.db2.gz CPDDDSYVYIIAQR-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)C1 ZINC000355514315 445465826 /nfs/dbraw/zinc/46/58/26/445465826.db2.gz CPDDDSYVYIIAQR-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)(CNC(=O)CCOC1C[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000348989115 445466741 /nfs/dbraw/zinc/46/67/41/445466741.db2.gz BXEGZMXKWQODFS-UHFFFAOYSA-N 2 1 331.460 1.318 20 0 EDADMP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2C[NH+]3CCCC[C@@H]3CO2)C1 ZINC000362708383 445511608 /nfs/dbraw/zinc/51/16/08/445511608.db2.gz BFMSUQABGJPTBA-ZACQAIPSSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2C[NH+]3CCCC[C@@H]3CO2)C1 ZINC000362708383 445511611 /nfs/dbraw/zinc/51/16/11/445511611.db2.gz BFMSUQABGJPTBA-ZACQAIPSSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)C1 ZINC000362708383 445511614 /nfs/dbraw/zinc/51/16/14/445511614.db2.gz BFMSUQABGJPTBA-ZACQAIPSSA-N 2 1 338.496 1.271 20 0 EDADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)C1 ZINC000362708383 445511616 /nfs/dbraw/zinc/51/16/16/445511616.db2.gz BFMSUQABGJPTBA-ZACQAIPSSA-N 2 1 338.496 1.271 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000359924249 445490882 /nfs/dbraw/zinc/49/08/82/445490882.db2.gz NBGFXBQLBSVPRH-JKSUJKDBSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000359924249 445490884 /nfs/dbraw/zinc/49/08/84/445490884.db2.gz NBGFXBQLBSVPRH-JKSUJKDBSA-N 2 1 342.528 1.593 20 0 EDADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000359924249 445490888 /nfs/dbraw/zinc/49/08/88/445490888.db2.gz NBGFXBQLBSVPRH-JKSUJKDBSA-N 2 1 342.528 1.593 20 0 EDADMP C[C@@H](CNC(=O)N1CC[C@H](N2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000359939834 445497412 /nfs/dbraw/zinc/49/74/12/445497412.db2.gz OMEZBZPXAFQKLB-IKGGRYGDSA-N 2 1 338.496 1.365 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357575396 445568129 /nfs/dbraw/zinc/56/81/29/445568129.db2.gz WQLFZFQBSQMMCS-TWMKSMIVSA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357575396 445568134 /nfs/dbraw/zinc/56/81/34/445568134.db2.gz WQLFZFQBSQMMCS-TWMKSMIVSA-N 2 1 325.497 1.673 20 0 EDADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000360121981 445579124 /nfs/dbraw/zinc/57/91/24/445579124.db2.gz BNHBPQKKULCXAR-DLBZAZTESA-N 2 1 340.512 1.611 20 0 EDADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000360121981 445579128 /nfs/dbraw/zinc/57/91/28/445579128.db2.gz BNHBPQKKULCXAR-DLBZAZTESA-N 2 1 340.512 1.611 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N(C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000356032095 445579478 /nfs/dbraw/zinc/57/94/78/445579478.db2.gz BZILLQZFZWCACV-MRXNPFEDSA-N 2 1 328.501 1.326 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000360125098 445580790 /nfs/dbraw/zinc/58/07/90/445580790.db2.gz NQTPXWOVHOUCEB-CVEARBPZSA-N 2 1 326.485 1.079 20 0 EDADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000362854524 445582432 /nfs/dbraw/zinc/58/24/32/445582432.db2.gz IHTZCAWVSXFBPI-HNNXBMFYSA-N 2 1 347.459 1.458 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+](C)C(C)C)CC[N@H+]1C[C@@H](C)O ZINC000360134063 445586697 /nfs/dbraw/zinc/58/66/97/445586697.db2.gz FKYNZEZKTFQWTJ-BZUAXINKSA-N 2 1 328.501 1.202 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC[NH+]1C[C@@H](C)O ZINC000360134063 445586700 /nfs/dbraw/zinc/58/67/00/445586700.db2.gz FKYNZEZKTFQWTJ-BZUAXINKSA-N 2 1 328.501 1.202 20 0 EDADMP CC[C@@H]1CN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC[NH+]1C[C@@H](C)O ZINC000360134063 445586701 /nfs/dbraw/zinc/58/67/01/445586701.db2.gz FKYNZEZKTFQWTJ-BZUAXINKSA-N 2 1 328.501 1.202 20 0 EDADMP O[C@H](COc1ccccc1F)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000362926661 445613407 /nfs/dbraw/zinc/61/34/07/445613407.db2.gz RSVTWALRYDMXPI-MUQADHOPSA-N 2 1 334.435 1.982 20 0 EDADMP O[C@H](COc1ccccc1F)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000362926661 445613411 /nfs/dbraw/zinc/61/34/11/445613411.db2.gz RSVTWALRYDMXPI-MUQADHOPSA-N 2 1 334.435 1.982 20 0 EDADMP O[C@H](COc1ccccc1F)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000362926661 445613415 /nfs/dbraw/zinc/61/34/15/445613415.db2.gz RSVTWALRYDMXPI-MUQADHOPSA-N 2 1 334.435 1.982 20 0 EDADMP O[C@H](COc1ccccc1F)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000362926661 445613418 /nfs/dbraw/zinc/61/34/18/445613418.db2.gz RSVTWALRYDMXPI-MUQADHOPSA-N 2 1 334.435 1.982 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](CNc3ccccn3)C2)CC1 ZINC000349614784 445623285 /nfs/dbraw/zinc/62/32/85/445623285.db2.gz ULZCBEUZYARYHR-INIZCTEOSA-N 2 1 345.491 1.416 20 0 EDADMP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358507002 445623782 /nfs/dbraw/zinc/62/37/82/445623782.db2.gz MLRQPOZBTYWMGR-IRXDYDNUSA-N 2 1 337.508 1.773 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(N3CCOCC3)CCSC2)[C@@H]2CCC[C@@H]21 ZINC000353525251 445642265 /nfs/dbraw/zinc/64/22/65/445642265.db2.gz XIRKAVCVXUJKGR-XLAORIBOSA-N 2 1 339.549 1.657 20 0 EDADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc2c(c1)OCCCO2 ZINC000358519861 445630713 /nfs/dbraw/zinc/63/07/13/445630713.db2.gz UCXSLDHZFMCULL-UHFFFAOYSA-N 2 1 345.443 1.862 20 0 EDADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)CC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000353500543 445631181 /nfs/dbraw/zinc/63/11/81/445631181.db2.gz LIZRZMNSBFHUIU-HZPDHXFCSA-N 2 1 340.512 1.611 20 0 EDADMP Cc1nccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000353521524 445639479 /nfs/dbraw/zinc/63/94/79/445639479.db2.gz PXJSTBGBWKKNAS-HZPDHXFCSA-N 2 1 348.491 1.875 20 0 EDADMP C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000358536173 445640197 /nfs/dbraw/zinc/64/01/97/445640197.db2.gz YQJUQYOSMCELBM-FXUDXRNXSA-N 2 1 326.485 1.220 20 0 EDADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1O ZINC000353429211 445597560 /nfs/dbraw/zinc/59/75/60/445597560.db2.gz SYBILKXUPVACAF-UKRRQHHQSA-N 2 1 335.448 1.639 20 0 EDADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1O ZINC000353429211 445597564 /nfs/dbraw/zinc/59/75/64/445597564.db2.gz SYBILKXUPVACAF-UKRRQHHQSA-N 2 1 335.448 1.639 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000353530166 445644654 /nfs/dbraw/zinc/64/46/54/445644654.db2.gz UGMRASAGVWLZAS-ROUUACIJSA-N 2 1 331.460 1.523 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000360247265 445654112 /nfs/dbraw/zinc/65/41/12/445654112.db2.gz BFNHQXBKCXFRHS-GOEBONIOSA-N 2 1 328.526 1.455 20 0 EDADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCNc2ccc3ccccc3n2)C1 ZINC000353818786 445770053 /nfs/dbraw/zinc/77/00/53/445770053.db2.gz VXCMTOFKKYMSGX-KRWDZBQOSA-N 2 1 342.443 1.872 20 0 EDADMP CC(C)N1CCO[C@H](C(=O)NCCNc2ccc3ccccc3n2)C1 ZINC000353818786 445770055 /nfs/dbraw/zinc/77/00/55/445770055.db2.gz VXCMTOFKKYMSGX-KRWDZBQOSA-N 2 1 342.443 1.872 20 0 EDADMP C[C@H](CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)[N@@H+](C)C1CC1 ZINC000363279052 445750874 /nfs/dbraw/zinc/75/08/74/445750874.db2.gz VJWRSHPKYVVYON-OAHLLOKOSA-N 2 1 333.480 1.582 20 0 EDADMP CN(C)[C@H](CNC(=O)N1C[C@@H]2OCCN(C)[C@H]2C1)c1ccsc1 ZINC000350033874 445753254 /nfs/dbraw/zinc/75/32/54/445753254.db2.gz OBKAGVGLTBDRGB-ILXRZTDVSA-N 2 1 338.477 1.075 20 0 EDADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000363297746 445755946 /nfs/dbraw/zinc/75/59/46/445755946.db2.gz XWYIGQPOAJRTLF-QGZVFWFLSA-N 2 1 336.524 1.537 20 0 EDADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000361347708 445762365 /nfs/dbraw/zinc/76/23/65/445762365.db2.gz XZCRAAIHNOKJMK-MRXNPFEDSA-N 2 1 333.480 1.330 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000350087550 445765120 /nfs/dbraw/zinc/76/51/20/445765120.db2.gz JHJGEBCOYFCIGS-QGZVFWFLSA-N 2 1 338.496 1.365 20 0 EDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)c1ccccc1 ZINC000363475446 445818267 /nfs/dbraw/zinc/81/82/67/445818267.db2.gz WRGBJOFNUSCKMF-KSZLIROESA-N 2 1 331.460 1.659 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000363475446 445818269 /nfs/dbraw/zinc/81/82/69/445818269.db2.gz WRGBJOFNUSCKMF-KSZLIROESA-N 2 1 331.460 1.659 20 0 EDADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000363475446 445818273 /nfs/dbraw/zinc/81/82/73/445818273.db2.gz WRGBJOFNUSCKMF-KSZLIROESA-N 2 1 331.460 1.659 20 0 EDADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCC(C)(C)O)CC2)C[C@H](C)O1 ZINC000358867976 445821300 /nfs/dbraw/zinc/82/13/00/445821300.db2.gz XXEVRSRRXIJLJC-HOTGVXAUSA-N 2 1 328.497 1.738 20 0 EDADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000356498463 445823575 /nfs/dbraw/zinc/82/35/75/445823575.db2.gz RMXXIRGFCARCKA-BZUAXINKSA-N 2 1 332.448 1.472 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361494399 445787087 /nfs/dbraw/zinc/78/70/87/445787087.db2.gz HCPGFZNSBAVSBA-KSZLIROESA-N 2 1 338.540 1.782 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361494399 445787092 /nfs/dbraw/zinc/78/70/92/445787092.db2.gz HCPGFZNSBAVSBA-KSZLIROESA-N 2 1 338.540 1.782 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361494399 445787097 /nfs/dbraw/zinc/78/70/97/445787097.db2.gz HCPGFZNSBAVSBA-KSZLIROESA-N 2 1 338.540 1.782 20 0 EDADMP C[C@@H](NC(=O)C1([NH+]2CCN(C)CC2)CCCC1)C(C)(C)C[NH+](C)C ZINC000363430020 445800270 /nfs/dbraw/zinc/80/02/70/445800270.db2.gz UNQJEVVAEGCRHP-MRXNPFEDSA-N 2 1 338.540 1.639 20 0 EDADMP C[C@@H](NC(=O)C1(N2CC[NH+](C)CC2)CCCC1)C(C)(C)C[NH+](C)C ZINC000363430020 445800272 /nfs/dbraw/zinc/80/02/72/445800272.db2.gz UNQJEVVAEGCRHP-MRXNPFEDSA-N 2 1 338.540 1.639 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000361540882 445811150 /nfs/dbraw/zinc/81/11/50/445811150.db2.gz YTDJWESOLRGUFJ-DOTOQJQBSA-N 2 1 331.464 1.249 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000361540882 445811154 /nfs/dbraw/zinc/81/11/54/445811154.db2.gz YTDJWESOLRGUFJ-DOTOQJQBSA-N 2 1 331.464 1.249 20 0 EDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000363459329 445813836 /nfs/dbraw/zinc/81/38/36/445813836.db2.gz KFQNLCQGRVSFFQ-OAHLLOKOSA-N 2 1 326.466 1.082 20 0 EDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000363459329 445813837 /nfs/dbraw/zinc/81/38/37/445813837.db2.gz KFQNLCQGRVSFFQ-OAHLLOKOSA-N 2 1 326.466 1.082 20 0 EDADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000363824293 445878193 /nfs/dbraw/zinc/87/81/93/445878193.db2.gz MLTXYAXNSVMLJR-KURKYZTESA-N 2 1 348.491 1.286 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000350705107 445883859 /nfs/dbraw/zinc/88/38/59/445883859.db2.gz YPKDWABEELPICO-UHFFFAOYSA-N 2 1 333.476 1.470 20 0 EDADMP CC(C)[NH+]1CCC(O)(CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000350705107 445883866 /nfs/dbraw/zinc/88/38/66/445883866.db2.gz YPKDWABEELPICO-UHFFFAOYSA-N 2 1 333.476 1.470 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](N2CCOCC2)C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000353978938 445837794 /nfs/dbraw/zinc/83/77/94/445837794.db2.gz OTUXODVXFKSCHU-QPSCCSFWSA-N 2 1 335.414 1.712 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](N2CCOCC2)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000353978936 445837828 /nfs/dbraw/zinc/83/78/28/445837828.db2.gz OTUXODVXFKSCHU-AJNGGQMLSA-N 2 1 335.414 1.712 20 0 EDADMP CC[C@@H]1CN(c2cccc(-n3cc[nH+]c3C)n2)CC[N@@H+]1C[C@H](C)O ZINC000363524518 445844175 /nfs/dbraw/zinc/84/41/75/445844175.db2.gz WYKZJDVXDNXKCS-GOEBONIOSA-N 2 1 329.448 1.857 20 0 EDADMP CC[C@@H]1CN(c2cccc(-n3cc[nH+]c3C)n2)CC[N@H+]1C[C@H](C)O ZINC000363524518 445844181 /nfs/dbraw/zinc/84/41/81/445844181.db2.gz WYKZJDVXDNXKCS-GOEBONIOSA-N 2 1 329.448 1.857 20 0 EDADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000358917642 445847132 /nfs/dbraw/zinc/84/71/32/445847132.db2.gz CXCZOQZENYBDOQ-INIZCTEOSA-N 2 1 349.479 1.306 20 0 EDADMP Cn1ccc(N2CCC[C@H](N3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)C2=O)n1 ZINC000363576693 445859632 /nfs/dbraw/zinc/85/96/32/445859632.db2.gz BZBKHGXIUFLNLR-QAETUUGQSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1ccc(N2CCC[C@H]([N@H+]3C[C@H]4[C@@H](C[NH+]5CCCC[C@@H]45)C3)C2=O)n1 ZINC000363576693 445859637 /nfs/dbraw/zinc/85/96/37/445859637.db2.gz BZBKHGXIUFLNLR-QAETUUGQSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1ccc(N2CCC[C@H]([N@@H+]3C[C@H]4[C@@H](C[NH+]5CCCC[C@@H]45)C3)C2=O)n1 ZINC000363576693 445859642 /nfs/dbraw/zinc/85/96/42/445859642.db2.gz BZBKHGXIUFLNLR-QAETUUGQSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1ccc(N2CCC[C@H]([NH+]3C[C@H]4[C@H](C3)C[N@@H+]3CCCC[C@@H]43)C2=O)n1 ZINC000363576693 445859646 /nfs/dbraw/zinc/85/96/46/445859646.db2.gz BZBKHGXIUFLNLR-QAETUUGQSA-N 2 1 343.475 1.332 20 0 EDADMP Cn1ccc(N2CCC[C@H]([NH+]3C[C@H]4[C@H](C3)C[N@H+]3CCCC[C@@H]43)C2=O)n1 ZINC000363576693 445859651 /nfs/dbraw/zinc/85/96/51/445859651.db2.gz BZBKHGXIUFLNLR-QAETUUGQSA-N 2 1 343.475 1.332 20 0 EDADMP CC[NH+](CC)[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)CC(C)C ZINC000354048888 445874623 /nfs/dbraw/zinc/87/46/23/445874623.db2.gz RIDCXDORCBTIGF-INIZCTEOSA-N 2 1 335.496 2.482 20 0 EDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000361775462 445934173 /nfs/dbraw/zinc/93/41/73/445934173.db2.gz WFKHFEHEZUTOGT-MRXNPFEDSA-N 2 1 342.528 1.859 20 0 EDADMP COCC[C@]1(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000361717345 445895622 /nfs/dbraw/zinc/89/56/22/445895622.db2.gz DIDWLVAWJLZLBA-JTDSTZFVSA-N 2 1 339.524 1.875 20 0 EDADMP C[C@]1(O)CCC[NH+](CCOCC[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000369129409 445944500 /nfs/dbraw/zinc/94/45/00/445944500.db2.gz DQTPCAJCAUQGPI-ROUUACIJSA-N 2 1 328.497 1.477 20 0 EDADMP CCCC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000356700633 445948830 /nfs/dbraw/zinc/94/88/30/445948830.db2.gz ZOFJACWQFXPHEO-INIZCTEOSA-N 2 1 349.523 1.869 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000356700633 445948835 /nfs/dbraw/zinc/94/88/35/445948835.db2.gz ZOFJACWQFXPHEO-INIZCTEOSA-N 2 1 349.523 1.869 20 0 EDADMP CCNc1nc(NC(C)(C)C)nc(N2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000366110059 446019120 /nfs/dbraw/zinc/01/91/20/446019120.db2.gz HIPIXXLAVPETRN-KRWDZBQOSA-N 2 1 333.484 1.468 20 0 EDADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000354208031 446001902 /nfs/dbraw/zinc/00/19/02/446001902.db2.gz NMLHBOTXBGPWPD-AEFFLSMTSA-N 2 1 338.540 1.780 20 0 EDADMP O=C(CN1CCCO[C@H]2CCC[C@@H]21)N1CCN(Cc2ccco2)CC1 ZINC000365143409 446050115 /nfs/dbraw/zinc/05/01/15/446050115.db2.gz AEFXUVQPRAHCFO-ROUUACIJSA-N 2 1 347.459 1.567 20 0 EDADMP CC(C)C[C@@H](CNC(=O)COC1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC000584170533 326213217 /nfs/dbraw/zinc/21/32/17/326213217.db2.gz WJQDPDAIZJZWPX-CGZBRXJRSA-N 2 1 341.496 1.136 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584230166 326224816 /nfs/dbraw/zinc/22/48/16/326224816.db2.gz OMIFVHSGGMZOLY-KVSKMBFKSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584230166 326224820 /nfs/dbraw/zinc/22/48/20/326224820.db2.gz OMIFVHSGGMZOLY-KVSKMBFKSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584230168 326224832 /nfs/dbraw/zinc/22/48/32/326224832.db2.gz OMIFVHSGGMZOLY-WDYCEAGBSA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584230168 326224836 /nfs/dbraw/zinc/22/48/36/326224836.db2.gz OMIFVHSGGMZOLY-WDYCEAGBSA-N 2 1 331.460 1.392 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000584236498 326226876 /nfs/dbraw/zinc/22/68/76/326226876.db2.gz KCJFJJWXSCGJSG-YLFCFFPRSA-N 2 1 327.513 1.965 20 0 EDADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000584236498 326226879 /nfs/dbraw/zinc/22/68/79/326226879.db2.gz KCJFJJWXSCGJSG-YLFCFFPRSA-N 2 1 327.513 1.965 20 0 EDADMP CCCCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000366173082 446060574 /nfs/dbraw/zinc/06/05/74/446060574.db2.gz XOAGEQRHMUCNSL-ZJPYXAASSA-N 2 1 328.497 1.643 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)C[C@H]12 ZINC000351476251 446077403 /nfs/dbraw/zinc/07/74/03/446077403.db2.gz KHXNVAKXODXETJ-HRCADAONSA-N 2 1 330.432 1.072 20 0 EDADMP C[N@H+](CCn1cnc2ccccc2c1=O)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369643590 446137985 /nfs/dbraw/zinc/13/79/85/446137985.db2.gz ZYWVLQVRFUCCID-HNNXBMFYSA-N 2 1 337.427 1.787 20 0 EDADMP C[N@@H+](CCn1cnc2ccccc2c1=O)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369643590 446137990 /nfs/dbraw/zinc/13/79/90/446137990.db2.gz ZYWVLQVRFUCCID-HNNXBMFYSA-N 2 1 337.427 1.787 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCCOc3ccc(Cl)cc3)C[C@@H]12 ZINC000351495938 446100222 /nfs/dbraw/zinc/10/02/22/446100222.db2.gz QELMLUSIDWMCTI-APHBMKBZSA-N 2 1 337.851 1.504 20 0 EDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCCOc3ccc(Cl)cc3)C[C@@H]12 ZINC000351495938 446100226 /nfs/dbraw/zinc/10/02/26/446100226.db2.gz QELMLUSIDWMCTI-APHBMKBZSA-N 2 1 337.851 1.504 20 0 EDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@@H]4CCCC[C@H]4C3)C2)CC1 ZINC000370185062 446189429 /nfs/dbraw/zinc/18/94/29/446189429.db2.gz ORCWZVFPLGHYHN-ULQDDVLXSA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3C[C@@H]4CCCC[C@H]4C3)C2)CC1 ZINC000370185062 446189436 /nfs/dbraw/zinc/18/94/36/446189436.db2.gz ORCWZVFPLGHYHN-ULQDDVLXSA-N 2 1 334.508 1.987 20 0 EDADMP CC(C)n1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)cn1 ZINC000373513907 446244840 /nfs/dbraw/zinc/24/48/40/446244840.db2.gz HYDTZHOPQRTGFA-WMZOPIPTSA-N 2 1 347.507 1.886 20 0 EDADMP CC(C)n1cc(C[N@H+]2CCCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)cn1 ZINC000373513907 446244844 /nfs/dbraw/zinc/24/48/44/446244844.db2.gz HYDTZHOPQRTGFA-WMZOPIPTSA-N 2 1 347.507 1.886 20 0 EDADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC[NH+](C3CC3)CC2)CCCO1 ZINC000365497090 446231920 /nfs/dbraw/zinc/23/19/20/446231920.db2.gz ILPJGJLQAAYGDI-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N2CCC[N@@H+](C3CC3)CC2)CCCO1 ZINC000365497090 446231922 /nfs/dbraw/zinc/23/19/22/446231922.db2.gz ILPJGJLQAAYGDI-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@H]1C[NH+](CCCNC(=O)N2CCC[N@H+](C3CC3)CC2)CCCO1 ZINC000365497090 446231923 /nfs/dbraw/zinc/23/19/23/446231923.db2.gz ILPJGJLQAAYGDI-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000366597492 446275549 /nfs/dbraw/zinc/27/55/49/446275549.db2.gz NNYSMXQJMPOODK-LZQZEXGQSA-N 2 1 335.467 1.817 20 0 EDADMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000366597492 446275552 /nfs/dbraw/zinc/27/55/52/446275552.db2.gz NNYSMXQJMPOODK-LZQZEXGQSA-N 2 1 335.467 1.817 20 0 EDADMP CCOCC[C@H](O)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000365639123 446283687 /nfs/dbraw/zinc/28/36/87/446283687.db2.gz XPTGMQDDDAXZKE-KRWDZBQOSA-N 2 1 336.480 1.782 20 0 EDADMP CCOCC[C@H](O)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000365639123 446283690 /nfs/dbraw/zinc/28/36/90/446283690.db2.gz XPTGMQDDDAXZKE-KRWDZBQOSA-N 2 1 336.480 1.782 20 0 EDADMP c1cc(N[C@@H]2CCCOC2)nc(NC2CC([NH+]3CCCCC3)C2)[nH+]1 ZINC000373682732 446301122 /nfs/dbraw/zinc/30/11/22/446301122.db2.gz FNVRZZAGOCUEEH-QQFBHYJXSA-N 2 1 331.464 2.496 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000365694629 446304476 /nfs/dbraw/zinc/30/44/76/446304476.db2.gz DCBWXIJQGZVKIW-SZMVWBNQSA-N 2 1 346.475 1.129 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000365694629 446304479 /nfs/dbraw/zinc/30/44/79/446304479.db2.gz DCBWXIJQGZVKIW-SZMVWBNQSA-N 2 1 346.475 1.129 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000365694629 446304484 /nfs/dbraw/zinc/30/44/84/446304484.db2.gz DCBWXIJQGZVKIW-SZMVWBNQSA-N 2 1 346.475 1.129 20 0 EDADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000365694629 446304487 /nfs/dbraw/zinc/30/44/87/446304487.db2.gz DCBWXIJQGZVKIW-SZMVWBNQSA-N 2 1 346.475 1.129 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000365713117 446311269 /nfs/dbraw/zinc/31/12/69/446311269.db2.gz QPGWTHAFRWRPCW-JLJPHGGASA-N 2 1 339.867 1.813 20 0 EDADMP COC[C@H](C)OC[C@H](O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000365719454 446313930 /nfs/dbraw/zinc/31/39/30/446313930.db2.gz SCDOOAWFPTTWDR-XYJFISCASA-N 2 1 340.508 1.595 20 0 EDADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@H]1SC ZINC000362322206 446319138 /nfs/dbraw/zinc/31/91/38/446319138.db2.gz MCVNYWNBOZEBAD-LXTVHRRPSA-N 2 1 329.510 1.072 20 0 EDADMP O=C(NCC[N@@H+]1CC=CCC1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000373757060 446327498 /nfs/dbraw/zinc/32/74/98/446327498.db2.gz JWVVCBWODWICEU-UHFFFAOYSA-N 2 1 328.460 1.672 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000366660237 446298358 /nfs/dbraw/zinc/29/83/58/446298358.db2.gz ARRQPLOYWUUITG-IAGOWNOFSA-N 2 1 336.524 1.488 20 0 EDADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@H]3C)CC2)CC1 ZINC000366660237 446298361 /nfs/dbraw/zinc/29/83/61/446298361.db2.gz ARRQPLOYWUUITG-IAGOWNOFSA-N 2 1 336.524 1.488 20 0 EDADMP CC[N@@H+](CCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C(C)C ZINC000417468995 446352947 /nfs/dbraw/zinc/35/29/47/446352947.db2.gz YSXKSYWPFKOWMU-IRXDYDNUSA-N 2 1 340.512 1.645 20 0 EDADMP [NH3+]C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000417488854 446354558 /nfs/dbraw/zinc/35/45/58/446354558.db2.gz ATVBKGWXDAFBGS-WMZOPIPTSA-N 2 1 330.476 1.588 20 0 EDADMP COCC[N@@H+](C)CC[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@@H]1C)c1ccccc1 ZINC000417490036 446355041 /nfs/dbraw/zinc/35/50/41/446355041.db2.gz GKNCKUWFSJCYMT-JQHSSLGASA-N 2 1 348.491 1.827 20 0 EDADMP Cc1nn(C)c(N2CCC[NH+](C)CC2)c1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000370619927 446360243 /nfs/dbraw/zinc/36/02/43/446360243.db2.gz IBBJILPPBBHRPP-WBVHZDCISA-N 2 1 348.539 1.443 20 0 EDADMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000370619927 446360246 /nfs/dbraw/zinc/36/02/46/446360246.db2.gz IBBJILPPBBHRPP-WBVHZDCISA-N 2 1 348.539 1.443 20 0 EDADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000370619927 446360251 /nfs/dbraw/zinc/36/02/51/446360251.db2.gz IBBJILPPBBHRPP-WBVHZDCISA-N 2 1 348.539 1.443 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCN(c3ncccn3)CC2)CC1 ZINC000374337402 446363755 /nfs/dbraw/zinc/36/37/55/446363755.db2.gz NDFHWMHPCWGXAY-UHFFFAOYSA-N 2 1 346.523 1.405 20 0 EDADMP C[N@H+]1CCC[C@H](CNC(=O)N(CC[NH3+])CCO)[C@H]1c1cccs1 ZINC000417745270 446371919 /nfs/dbraw/zinc/37/19/19/446371919.db2.gz ZUSSHNVHHFMWLP-HIFRSBDPSA-N 2 1 340.493 1.094 20 0 EDADMP C[C@@H]1C[C@@H](CCNC(=O)NCC2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000417914741 446384111 /nfs/dbraw/zinc/38/41/11/446384111.db2.gz AXFVAORMPZOQQV-NVXWUHKLSA-N 2 1 330.476 1.806 20 0 EDADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000417913600 446384181 /nfs/dbraw/zinc/38/41/81/446384181.db2.gz QTYGXDNBMBYSJY-RDJZCZTQSA-N 2 1 328.476 1.697 20 0 EDADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000417913600 446384185 /nfs/dbraw/zinc/38/41/85/446384185.db2.gz QTYGXDNBMBYSJY-RDJZCZTQSA-N 2 1 328.476 1.697 20 0 EDADMP C[N@@H+]1CC[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000417941284 446393177 /nfs/dbraw/zinc/39/31/77/446393177.db2.gz YTWRTHKSTUSMGQ-FSDCSDTHSA-N 2 1 348.878 1.946 20 0 EDADMP C[N@H+]1CC[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000417941284 446393185 /nfs/dbraw/zinc/39/31/85/446393185.db2.gz YTWRTHKSTUSMGQ-FSDCSDTHSA-N 2 1 348.878 1.946 20 0 EDADMP COc1ccc2c(c1)CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000374877681 446430407 /nfs/dbraw/zinc/43/04/07/446430407.db2.gz MBAHVJJCNLPMDQ-UHFFFAOYSA-N 2 1 331.460 1.260 20 0 EDADMP COc1ccc2c(c1)CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000374877681 446430411 /nfs/dbraw/zinc/43/04/11/446430411.db2.gz MBAHVJJCNLPMDQ-UHFFFAOYSA-N 2 1 331.460 1.260 20 0 EDADMP [NH3+]C[C@H](NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000418075965 446432305 /nfs/dbraw/zinc/43/23/05/446432305.db2.gz HWJXQQVHNCMTHP-IRXDYDNUSA-N 2 1 348.516 1.641 20 0 EDADMP [NH3+]C[C@H](NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000418075965 446432308 /nfs/dbraw/zinc/43/23/08/446432308.db2.gz HWJXQQVHNCMTHP-IRXDYDNUSA-N 2 1 348.516 1.641 20 0 EDADMP C[C@H](CC(=O)N1CCC[N@H+](C2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000370774889 446433740 /nfs/dbraw/zinc/43/37/40/446433740.db2.gz TXLUYEUIQXGIFY-MRXNPFEDSA-N 2 1 337.508 1.726 20 0 EDADMP C[N@@H+]1C[C@@H]2CN(C(=O)c3csc(C[NH3+])n3)C[C@H]2[C@H]1c1ccccc1 ZINC000370776352 446434219 /nfs/dbraw/zinc/43/42/19/446434219.db2.gz ZTWSMURVXUWDAF-CKEIUWERSA-N 2 1 342.468 1.977 20 0 EDADMP C[N@H+]1C[C@@H]2CN(C(=O)c3csc(C[NH3+])n3)C[C@H]2[C@H]1c1ccccc1 ZINC000370776352 446434221 /nfs/dbraw/zinc/43/42/21/446434221.db2.gz ZTWSMURVXUWDAF-CKEIUWERSA-N 2 1 342.468 1.977 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418078602 446434663 /nfs/dbraw/zinc/43/46/63/446434663.db2.gz OIQUVBRHSFDDSD-GOEBONIOSA-N 2 1 336.505 1.593 20 0 EDADMP C[C@@H](C[NH3+])N(C)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418078602 446434671 /nfs/dbraw/zinc/43/46/71/446434671.db2.gz OIQUVBRHSFDDSD-GOEBONIOSA-N 2 1 336.505 1.593 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](COc3ccccc3)C2)CC1 ZINC000374884738 446435035 /nfs/dbraw/zinc/43/50/35/446435035.db2.gz ZOAKUESDMQVUKT-GOSISDBHSA-N 2 1 345.487 1.942 20 0 EDADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](COc3ccccc3)C2)CC1 ZINC000374884738 446435038 /nfs/dbraw/zinc/43/50/38/446435038.db2.gz ZOAKUESDMQVUKT-GOSISDBHSA-N 2 1 345.487 1.942 20 0 EDADMP COc1ccc([C@H](NC[C@H]2CCC[N@H+]2CCCO)[C@@H]2CCC[NH2+]2)cc1 ZINC000423144945 446439697 /nfs/dbraw/zinc/43/96/97/446439697.db2.gz ILDFVAZVFWKGKP-HOJAQTOUSA-N 2 1 347.503 1.925 20 0 EDADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)CC1 ZINC000366986439 446446444 /nfs/dbraw/zinc/44/64/44/446446444.db2.gz DYZZSDWUGJEHBZ-KRWDZBQOSA-N 2 1 346.523 1.654 20 0 EDADMP COc1cccc([C@@H]2[C@@H](NC(=O)N(C)[C@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000417989471 446409446 /nfs/dbraw/zinc/40/94/46/446409446.db2.gz LJANGGUGBMZATA-JEBQAFNWSA-N 2 1 346.475 1.962 20 0 EDADMP CCC([NH3+])(CC)CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418004070 446412183 /nfs/dbraw/zinc/41/21/83/446412183.db2.gz ZLUYELBBQLQDAN-QGZVFWFLSA-N 2 1 348.491 1.570 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418008204 446413968 /nfs/dbraw/zinc/41/39/68/446413968.db2.gz GWOGXPHYBQLTQK-LULLPPNCSA-N 2 1 342.487 1.900 20 0 EDADMP C[C@H](NC(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418012643 446415169 /nfs/dbraw/zinc/41/51/69/446415169.db2.gz SJLMYSWHAQGMDP-JCGIZDLHSA-N 2 1 330.476 1.934 20 0 EDADMP CC[C@H]([NH2+]CCC[NH2+]C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423202258 446452076 /nfs/dbraw/zinc/45/20/76/446452076.db2.gz QLWBZQJXWBGXRG-ZDUSSCGKSA-N 2 1 333.885 1.898 20 0 EDADMP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370763989 446423667 /nfs/dbraw/zinc/42/36/67/446423667.db2.gz SOKPXSSLFDHJPP-AZUAARDMSA-N 2 1 343.471 1.490 20 0 EDADMP COc1ccccc1CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420290435 446454496 /nfs/dbraw/zinc/45/44/96/446454496.db2.gz JAZHJSAOKFFRQG-SFHVURJKSA-N 2 1 345.487 1.772 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420297243 446458975 /nfs/dbraw/zinc/45/89/75/446458975.db2.gz YHQLOCAEXLYACF-NVXWUHKLSA-N 2 1 339.505 1.507 20 0 EDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420297243 446458983 /nfs/dbraw/zinc/45/89/83/446458983.db2.gz YHQLOCAEXLYACF-NVXWUHKLSA-N 2 1 339.505 1.507 20 0 EDADMP [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000418237853 446468500 /nfs/dbraw/zinc/46/85/00/446468500.db2.gz NLUHULZOQOYLEE-OAHLLOKOSA-N 2 1 327.432 1.828 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000420306635 446470576 /nfs/dbraw/zinc/47/05/76/446470576.db2.gz QRARKIUMFODZHB-LJISPDSOSA-N 2 1 332.366 1.305 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000420306635 446470580 /nfs/dbraw/zinc/47/05/80/446470580.db2.gz QRARKIUMFODZHB-LJISPDSOSA-N 2 1 332.366 1.305 20 0 EDADMP C[C@H](C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000432547326 446484247 /nfs/dbraw/zinc/48/42/47/446484247.db2.gz SXEKYHYHUBOVCJ-DLBZAZTESA-N 2 1 325.497 1.868 20 0 EDADMP Cc1ccccc1CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420325135 446491809 /nfs/dbraw/zinc/49/18/09/446491809.db2.gz IGBGGNQRACYGQR-SFHVURJKSA-N 2 1 345.487 1.341 20 0 EDADMP Cc1ccccc1CCNC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420325135 446491813 /nfs/dbraw/zinc/49/18/13/446491813.db2.gz IGBGGNQRACYGQR-SFHVURJKSA-N 2 1 345.487 1.341 20 0 EDADMP [NH3+]C[C@H]1C[N@H+](CC(=O)NCCC2CCCCC2)CC12CCOCC2 ZINC000420325460 446492070 /nfs/dbraw/zinc/49/20/70/446492070.db2.gz IKPINLFYYIKGSF-KRWDZBQOSA-N 2 1 337.508 1.760 20 0 EDADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCCC2CCCCC2)CC12CCOCC2 ZINC000420325460 446492074 /nfs/dbraw/zinc/49/20/74/446492074.db2.gz IKPINLFYYIKGSF-KRWDZBQOSA-N 2 1 337.508 1.760 20 0 EDADMP CCN(C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C1CCCCC1 ZINC000420323602 446489083 /nfs/dbraw/zinc/48/90/83/446489083.db2.gz GHRJACPMFJAYNL-INIZCTEOSA-N 2 1 337.508 1.855 20 0 EDADMP CCN(C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C1CCCCC1 ZINC000420323602 446489090 /nfs/dbraw/zinc/48/90/90/446489090.db2.gz GHRJACPMFJAYNL-INIZCTEOSA-N 2 1 337.508 1.855 20 0 EDADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc2c(c1)OCO2 ZINC000420331474 446501323 /nfs/dbraw/zinc/50/13/23/446501323.db2.gz CAASRIGPOWKYLP-UONOGXRCSA-N 2 1 331.416 1.675 20 0 EDADMP CC1(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)C[NH2+]C1 ZINC000423362718 446501967 /nfs/dbraw/zinc/50/19/67/446501967.db2.gz NMADEOFWWCSPHT-UHFFFAOYSA-N 2 1 342.443 1.522 20 0 EDADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343877 446515394 /nfs/dbraw/zinc/51/53/94/446515394.db2.gz RQCKBHQNDOVLKA-KBMXLJTQSA-N 2 1 344.459 1.434 20 0 EDADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCc1ccc(Cl)cc1 ZINC000420328681 446497744 /nfs/dbraw/zinc/49/77/44/446497744.db2.gz FIKYVTGMMFMDJR-IYBDPMFKSA-N 2 1 335.879 1.930 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423357571 446497840 /nfs/dbraw/zinc/49/78/40/446497840.db2.gz IKQYGIYIZJDMDY-RBSFLKMASA-N 2 1 333.480 1.727 20 0 EDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000423359843 446499887 /nfs/dbraw/zinc/49/98/87/446499887.db2.gz PQXSYWXVMRWVPV-RDJZCZTQSA-N 2 1 333.480 1.658 20 0 EDADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000418481820 446558943 /nfs/dbraw/zinc/55/89/43/446558943.db2.gz ABNQNTIFSHWSNY-QGZVFWFLSA-N 2 1 340.512 1.504 20 0 EDADMP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420389014 446564894 /nfs/dbraw/zinc/56/48/94/446564894.db2.gz NEOJCLQXVFVBPY-MLHJIOFPSA-N 2 1 349.519 1.724 20 0 EDADMP CCC[C@H](NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420349321 446524942 /nfs/dbraw/zinc/52/49/42/446524942.db2.gz ONTNQAXCUHLCOL-MOPGFXCFSA-N 2 1 344.503 1.624 20 0 EDADMP CCC[C@H](NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420349321 446524950 /nfs/dbraw/zinc/52/49/50/446524950.db2.gz ONTNQAXCUHLCOL-MOPGFXCFSA-N 2 1 344.503 1.624 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000420349247 446525444 /nfs/dbraw/zinc/52/54/44/446525444.db2.gz OEPXQYRMYWIEHW-MPGHIAIKSA-N 2 1 348.466 1.371 20 0 EDADMP Fc1ccccc1-c1noc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000420350065 446528494 /nfs/dbraw/zinc/52/84/94/446528494.db2.gz RGUVMUPLFNJNRI-CYBMUJFWSA-N 2 1 331.395 1.355 20 0 EDADMP Fc1ccccc1-c1noc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000420350065 446528502 /nfs/dbraw/zinc/52/85/02/446528502.db2.gz RGUVMUPLFNJNRI-CYBMUJFWSA-N 2 1 331.395 1.355 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423425508 446530918 /nfs/dbraw/zinc/53/09/18/446530918.db2.gz MHNAMAKNJONTDW-JKSUJKDBSA-N 2 1 347.507 1.881 20 0 EDADMP C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418412180 446533934 /nfs/dbraw/zinc/53/39/34/446533934.db2.gz HDHQVXJXVZOBPW-INIZCTEOSA-N 2 1 333.480 1.815 20 0 EDADMP CCOCC[N@H+]1CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)C[C@@H]1CC ZINC000418416099 446536183 /nfs/dbraw/zinc/53/61/83/446536183.db2.gz PFTBXWJLAXNCTD-CVEARBPZSA-N 2 1 328.501 1.502 20 0 EDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)NCCOc1ccc(Cl)cc1 ZINC000420356787 446537586 /nfs/dbraw/zinc/53/75/86/446537586.db2.gz GKILOKMEKGTHJU-OAHLLOKOSA-N 2 1 339.867 1.813 20 0 EDADMP Cc1cnn(C)c1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000367378881 446539378 /nfs/dbraw/zinc/53/93/78/446539378.db2.gz VSGHRONWFMNZBA-GJZGRUSLSA-N 2 1 334.443 1.506 20 0 EDADMP Cc1cnn(C)c1CN(C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000367378881 446539383 /nfs/dbraw/zinc/53/93/83/446539383.db2.gz VSGHRONWFMNZBA-GJZGRUSLSA-N 2 1 334.443 1.506 20 0 EDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000420359925 446540267 /nfs/dbraw/zinc/54/02/67/446540267.db2.gz LFOCIJAARPGBPJ-BXUZGUMPSA-N 2 1 340.265 1.907 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423445405 446541299 /nfs/dbraw/zinc/54/12/99/446541299.db2.gz SBJTYZUJGPWCTP-IAGOWNOFSA-N 2 1 333.480 1.754 20 0 EDADMP COCCOc1ccc(CNC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420364974 446544698 /nfs/dbraw/zinc/54/46/98/446544698.db2.gz PRFPMNRMWOARQJ-QGZVFWFLSA-N 2 1 349.475 1.306 20 0 EDADMP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C1CC1 ZINC000420370346 446548860 /nfs/dbraw/zinc/54/88/60/446548860.db2.gz COXHANQVBQSCNR-SUMWQHHRSA-N 2 1 346.479 1.163 20 0 EDADMP C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C1CC1 ZINC000420370346 446548868 /nfs/dbraw/zinc/54/88/68/446548868.db2.gz COXHANQVBQSCNR-SUMWQHHRSA-N 2 1 346.479 1.163 20 0 EDADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418479369 446557617 /nfs/dbraw/zinc/55/76/17/446557617.db2.gz AJLGGBBLTFNIDD-SFHVURJKSA-N 2 1 344.459 1.453 20 0 EDADMP COCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000433908194 446611338 /nfs/dbraw/zinc/61/13/38/446611338.db2.gz NUWHFXUUKBVOAQ-QGZVFWFLSA-N 2 1 338.496 1.413 20 0 EDADMP CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000411579480 446614330 /nfs/dbraw/zinc/61/43/30/446614330.db2.gz UTIBWWPJNHVDSL-HOTGVXAUSA-N 2 1 325.522 1.804 20 0 EDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000418504452 446569976 /nfs/dbraw/zinc/56/99/76/446569976.db2.gz AGQRFXZUVJDYJJ-IYBDPMFKSA-N 2 1 337.512 1.068 20 0 EDADMP C[C@@H](OCCCNC(=O)C[NH+]1CCC(O)(C[NH3+])CC1)c1ccccc1 ZINC000420408847 446581377 /nfs/dbraw/zinc/58/13/77/446581377.db2.gz XBDQGUWSMCHYRD-MRXNPFEDSA-N 2 1 349.475 1.056 20 0 EDADMP CCC[C@@H]1CN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1CCOC ZINC000418537488 446585486 /nfs/dbraw/zinc/58/54/86/446585486.db2.gz JUUVNVQYBTUYQQ-AEFFLSMTSA-N 2 1 340.512 1.518 20 0 EDADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NCC(F)(F)C[NH3+])cc1 ZINC000418543695 446588486 /nfs/dbraw/zinc/58/84/86/446588486.db2.gz IDXSHLIHEYMTCQ-UONOGXRCSA-N 2 1 342.390 1.034 20 0 EDADMP C[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000423586799 446590030 /nfs/dbraw/zinc/59/00/30/446590030.db2.gz BOMADKASELXUHZ-NSHDSACASA-N 2 1 344.381 1.739 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000433871495 446603669 /nfs/dbraw/zinc/60/36/69/446603669.db2.gz CXAOADPZNKLSPK-NVXWUHKLSA-N 2 1 337.489 1.463 20 0 EDADMP [NH3+]CCC[C@@H](NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000418666734 446642194 /nfs/dbraw/zinc/64/21/94/446642194.db2.gz GMQLJIVOOHBKTF-ZWKOTPCHSA-N 2 1 348.491 1.613 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418708093 446655345 /nfs/dbraw/zinc/65/53/45/446655345.db2.gz BYVSSBSUZUFJKA-HUUCEWRRSA-N 2 1 326.485 1.256 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418708093 446655352 /nfs/dbraw/zinc/65/53/52/446655352.db2.gz BYVSSBSUZUFJKA-HUUCEWRRSA-N 2 1 326.485 1.256 20 0 EDADMP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000418744153 446665176 /nfs/dbraw/zinc/66/51/76/446665176.db2.gz DXXRUDNEPZKSHZ-IRXDYDNUSA-N 2 1 338.496 1.415 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000423738907 446669569 /nfs/dbraw/zinc/66/95/69/446669569.db2.gz FNYCDQADNLEJGX-XHSDSOJGSA-N 2 1 339.480 1.380 20 0 EDADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418631292 446623055 /nfs/dbraw/zinc/62/30/55/446623055.db2.gz ASXCZZLLADHMBM-INIZCTEOSA-N 2 1 340.512 1.517 20 0 EDADMP C[C@@H]1CN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CC(C)(C)O ZINC000418639851 446627908 /nfs/dbraw/zinc/62/79/08/446627908.db2.gz MCZXIJPBCFRCLO-HUUCEWRRSA-N 2 1 340.512 1.251 20 0 EDADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423755640 446685608 /nfs/dbraw/zinc/68/56/08/446685608.db2.gz KCPXLWPTNPCLAZ-IPQPSQTFSA-N 2 1 348.535 1.536 20 0 EDADMP CCN1CCO[C@H](C[NH+]2CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000371209566 446692276 /nfs/dbraw/zinc/69/22/76/446692276.db2.gz NASGXXXBUBRGFN-MOPGFXCFSA-N 2 1 338.540 1.199 20 0 EDADMP CCN1CCO[C@H](C[NH+]2CCN(CC[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000371209566 446692285 /nfs/dbraw/zinc/69/22/85/446692285.db2.gz NASGXXXBUBRGFN-MOPGFXCFSA-N 2 1 338.540 1.199 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000423772148 446697410 /nfs/dbraw/zinc/69/74/10/446697410.db2.gz KMURAZVKNVBJLF-LUXYFRNMSA-N 2 1 325.497 1.756 20 0 EDADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423772775 446697976 /nfs/dbraw/zinc/69/79/76/446697976.db2.gz IFJQKRTWOKANKN-DOTOQJQBSA-N 2 1 347.459 1.390 20 0 EDADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000411877948 446703957 /nfs/dbraw/zinc/70/39/57/446703957.db2.gz QXGRDUYNYXJUQN-UHFFFAOYSA-N 2 1 332.448 1.578 20 0 EDADMP CC[C@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000423817705 446706934 /nfs/dbraw/zinc/70/69/34/446706934.db2.gz CKCIDLLVWDWRFX-ROUUACIJSA-N 2 1 331.460 1.488 20 0 EDADMP CC[C@H]1CN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC[N@@H+]1Cc1ccccc1 ZINC000423832185 446720747 /nfs/dbraw/zinc/72/07/47/446720747.db2.gz XELHFEGTYWQYJS-DLBZAZTESA-N 2 1 347.459 1.390 20 0 EDADMP CC[C@H]1CN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC[N@H+]1Cc1ccccc1 ZINC000423832185 446720755 /nfs/dbraw/zinc/72/07/55/446720755.db2.gz XELHFEGTYWQYJS-DLBZAZTESA-N 2 1 347.459 1.390 20 0 EDADMP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000371287718 446746117 /nfs/dbraw/zinc/74/61/17/446746117.db2.gz RZYWWQCDIFNSOK-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000371287718 446746125 /nfs/dbraw/zinc/74/61/25/446746125.db2.gz RZYWWQCDIFNSOK-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371287718 446746131 /nfs/dbraw/zinc/74/61/31/446746131.db2.gz RZYWWQCDIFNSOK-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371287718 446746137 /nfs/dbraw/zinc/74/61/37/446746137.db2.gz RZYWWQCDIFNSOK-HRCADAONSA-N 2 1 326.485 1.269 20 0 EDADMP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371293305 446750192 /nfs/dbraw/zinc/75/01/92/446750192.db2.gz GMTVVPSWQQTVJY-SOAMZJECSA-N 2 1 348.487 1.918 20 0 EDADMP C[C@H]1C[C@@H](CCNC(=O)[C@@H]2C[NH2+]CCO2)C[N@H+]1Cc1ccccc1 ZINC000423900428 446752251 /nfs/dbraw/zinc/75/22/51/446752251.db2.gz KAQDKPAPKIPPQX-JQHSSLGASA-N 2 1 331.460 1.392 20 0 EDADMP C[C@H](C(=O)NC1CCN(c2[nH+]ccn2C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423912077 446760946 /nfs/dbraw/zinc/76/09/46/446760946.db2.gz JCZGJLYVCACUDJ-YOEHRIQHSA-N 2 1 341.459 1.841 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000418872147 446764032 /nfs/dbraw/zinc/76/40/32/446764032.db2.gz WGIHRJJABVUNNQ-LSDHHAIUSA-N 2 1 340.512 1.103 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]CC2CC2)[C@@H]1c1ccccc1 ZINC000423925856 446775898 /nfs/dbraw/zinc/77/58/98/446775898.db2.gz CIKGUBLPWHGLGO-HKUYNNGSSA-N 2 1 331.460 1.564 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)C[NH2+]CC2CC2)[C@@H]1c1ccccc1 ZINC000423925856 446775908 /nfs/dbraw/zinc/77/59/08/446775908.db2.gz CIKGUBLPWHGLGO-HKUYNNGSSA-N 2 1 331.460 1.564 20 0 EDADMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[C@@H]1c1ccccc1 ZINC000423928767 446780846 /nfs/dbraw/zinc/78/08/46/446780846.db2.gz HTZGFLKMFLSVKQ-DZKIICNBSA-N 2 1 341.402 1.547 20 0 EDADMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[C@@H]1c1ccccc1 ZINC000423928767 446780851 /nfs/dbraw/zinc/78/08/51/446780851.db2.gz HTZGFLKMFLSVKQ-DZKIICNBSA-N 2 1 341.402 1.547 20 0 EDADMP C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)N2CCOCC2)[C@H]1c1ccccc1 ZINC000375453015 446810829 /nfs/dbraw/zinc/81/08/29/446810829.db2.gz NAXJVMXCULCWKC-UYAOXDASSA-N 2 1 345.487 1.908 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)C[C@H](C)O1 ZINC000368369511 446816274 /nfs/dbraw/zinc/81/62/74/446816274.db2.gz JDSVDARMBIZUKN-SCQPEEIGSA-N 2 1 329.444 1.243 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)C[C@H](C)O1 ZINC000368369511 446816279 /nfs/dbraw/zinc/81/62/79/446816279.db2.gz JDSVDARMBIZUKN-SCQPEEIGSA-N 2 1 329.444 1.243 20 0 EDADMP CCOC(=O)[C@](C)(O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375476688 446830241 /nfs/dbraw/zinc/83/02/41/446830241.db2.gz SMSWQBKGNURFJP-ZHALLVOQSA-N 2 1 334.460 1.973 20 0 EDADMP Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n(C)n1 ZINC000376929538 446803941 /nfs/dbraw/zinc/80/39/41/446803941.db2.gz DQFAIYSYPRREDA-MRXNPFEDSA-N 2 1 348.495 1.038 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCCN3CCc4sccc4C3)C[C@@H]21 ZINC000454362233 446858945 /nfs/dbraw/zinc/85/89/45/446858945.db2.gz LAUJJXJMXBXWRO-HIFRSBDPSA-N 2 1 334.489 1.452 20 0 EDADMP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC[NH+]3CCc4sccc4C3)C[C@@H]21 ZINC000454362233 446858952 /nfs/dbraw/zinc/85/89/52/446858952.db2.gz LAUJJXJMXBXWRO-HIFRSBDPSA-N 2 1 334.489 1.452 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC[NH+]3CCc4sccc4C3)C[C@@H]21 ZINC000454362233 446858959 /nfs/dbraw/zinc/85/89/59/446858959.db2.gz LAUJJXJMXBXWRO-HIFRSBDPSA-N 2 1 334.489 1.452 20 0 EDADMP C[NH+]1CC[C@@H]2CN(C(=O)NCC[N@H+]3CCc4sccc4C3)C[C@@H]21 ZINC000454362233 446858967 /nfs/dbraw/zinc/85/89/67/446858967.db2.gz LAUJJXJMXBXWRO-HIFRSBDPSA-N 2 1 334.489 1.452 20 0 EDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCO[C@@H]3CCCCO3)C2)CC1 ZINC000368439264 446863497 /nfs/dbraw/zinc/86/34/97/446863497.db2.gz SLWCBTZRGPMAHT-QZTJIDSGSA-N 2 1 325.497 1.630 20 0 EDADMP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000419022990 446871252 /nfs/dbraw/zinc/87/12/52/446871252.db2.gz CSLCSPDHYKUIHU-RDJZCZTQSA-N 2 1 346.475 1.054 20 0 EDADMP CN(C)C(=O)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420896994 446875040 /nfs/dbraw/zinc/87/50/40/446875040.db2.gz BUDYUCLDYIBVOP-UHFFFAOYSA-N 2 1 345.487 1.819 20 0 EDADMP CO[C@H](C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000368458408 446876593 /nfs/dbraw/zinc/87/65/93/446876593.db2.gz OJVXDGADLITYRL-SFHVURJKSA-N 2 1 337.508 1.724 20 0 EDADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)C2 ZINC000371491197 446889455 /nfs/dbraw/zinc/88/94/55/446889455.db2.gz MKFBVTQSCAIIRJ-BBRMVZONSA-N 2 1 330.407 1.940 20 0 EDADMP C[C@H](C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCSCC1 ZINC000442661131 446927879 /nfs/dbraw/zinc/92/78/79/446927879.db2.gz TXKNLNSPVSHPNF-OWCLPIDISA-N 2 1 343.537 1.429 20 0 EDADMP C[C@H](C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCSCC1 ZINC000442661131 446927887 /nfs/dbraw/zinc/92/78/87/446927887.db2.gz TXKNLNSPVSHPNF-OWCLPIDISA-N 2 1 343.537 1.429 20 0 EDADMP O=C1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C2CC2)N1 ZINC000420957937 446928269 /nfs/dbraw/zinc/92/82/69/446928269.db2.gz DEEXTZWMKZWLJJ-ICSRJNTNSA-N 2 1 343.471 1.666 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442756081 446954076 /nfs/dbraw/zinc/95/40/76/446954076.db2.gz DMSBGTSOEUBWQD-DOTOQJQBSA-N 2 1 333.476 1.802 20 0 EDADMP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442756081 446954081 /nfs/dbraw/zinc/95/40/81/446954081.db2.gz DMSBGTSOEUBWQD-DOTOQJQBSA-N 2 1 333.476 1.802 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)CC2 ZINC000442758764 446956015 /nfs/dbraw/zinc/95/60/15/446956015.db2.gz JIXCAHWXZVKZQO-KBPBESRZSA-N 2 1 347.459 1.258 20 0 EDADMP COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)CC2 ZINC000442758764 446956022 /nfs/dbraw/zinc/95/60/22/446956022.db2.gz JIXCAHWXZVKZQO-KBPBESRZSA-N 2 1 347.459 1.258 20 0 EDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2csc(CC[NH3+])n2)C1 ZINC000375662382 446958508 /nfs/dbraw/zinc/95/85/08/446958508.db2.gz GCQFEDZVSJVZIA-OAHLLOKOSA-N 2 1 344.484 1.991 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442793783 446969980 /nfs/dbraw/zinc/96/99/80/446969980.db2.gz SBRDCJAKMOUIRV-SOUVJXGZSA-N 2 1 349.475 1.859 20 0 EDADMP COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442793783 446969987 /nfs/dbraw/zinc/96/99/87/446969987.db2.gz SBRDCJAKMOUIRV-SOUVJXGZSA-N 2 1 349.475 1.859 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000377194331 446984325 /nfs/dbraw/zinc/98/43/25/446984325.db2.gz AELSRYCWRZNWRN-WDYCEAGBSA-N 2 1 344.503 1.607 20 0 EDADMP C[C@H](C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000377194331 446984329 /nfs/dbraw/zinc/98/43/29/446984329.db2.gz AELSRYCWRZNWRN-WDYCEAGBSA-N 2 1 344.503 1.607 20 0 EDADMP [NH3+]Cc1nc(-c2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)n[nH]1 ZINC000377207003 446992776 /nfs/dbraw/zinc/99/27/76/446992776.db2.gz KVXOPROHSDNWEU-ZDUSSCGKSA-N 2 1 326.404 1.259 20 0 EDADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443059255 447001508 /nfs/dbraw/zinc/00/15/08/447001508.db2.gz MDZIDXUVQNQTGB-KBPBESRZSA-N 2 1 333.432 1.846 20 0 EDADMP CC(C)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)C1=O ZINC000372353262 447045886 /nfs/dbraw/zinc/04/58/86/447045886.db2.gz DJTNBRDKWUIWMP-XDNAFOTISA-N 2 1 337.508 1.865 20 0 EDADMP CC(C)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)C1=O ZINC000372353262 447045888 /nfs/dbraw/zinc/04/58/88/447045888.db2.gz DJTNBRDKWUIWMP-XDNAFOTISA-N 2 1 337.508 1.865 20 0 EDADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CCC[NH2+]CC1 ZINC000368704772 447053812 /nfs/dbraw/zinc/05/38/12/447053812.db2.gz URGYKTJAOYFQFZ-QZTJIDSGSA-N 2 1 331.460 1.536 20 0 EDADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CCC[NH2+]CC1 ZINC000368704772 447053822 /nfs/dbraw/zinc/05/38/22/447053822.db2.gz URGYKTJAOYFQFZ-QZTJIDSGSA-N 2 1 331.460 1.536 20 0 EDADMP Cn1cc(C(=O)NC2CC[NH+](CCC[NH+]3CCCCC3)CC2)cn1 ZINC000368781372 447100637 /nfs/dbraw/zinc/10/06/37/447100637.db2.gz RGTNJSBPNGKVCO-UHFFFAOYSA-N 2 1 333.480 1.490 20 0 EDADMP CC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000413281196 447112663 /nfs/dbraw/zinc/11/26/63/447112663.db2.gz NTRHXZARSGJYCK-MRXNPFEDSA-N 2 1 331.464 1.752 20 0 EDADMP CC[N@H+]1CC[C@@H](NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000413281196 447112670 /nfs/dbraw/zinc/11/26/70/447112670.db2.gz NTRHXZARSGJYCK-MRXNPFEDSA-N 2 1 331.464 1.752 20 0 EDADMP CC[N@H+]1CC[C@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000413227267 447080474 /nfs/dbraw/zinc/08/04/74/447080474.db2.gz AOJJVYBWPZWFLZ-KRWDZBQOSA-N 2 1 348.491 1.563 20 0 EDADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCC[N@@H+](CCCOC)CC2)C1(C)C ZINC000372509863 447097561 /nfs/dbraw/zinc/09/75/61/447097561.db2.gz YSPSQMMOOVJXKG-MAUKXSAKSA-N 2 1 341.496 1.090 20 0 EDADMP CC(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC000419404754 447155958 /nfs/dbraw/zinc/15/59/58/447155958.db2.gz GHKUUUZIEUXDIM-JKSUJKDBSA-N 2 1 340.512 1.203 20 0 EDADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C2)c1 ZINC000377486285 447156304 /nfs/dbraw/zinc/15/63/04/447156304.db2.gz FNJRTXWZSUJWRF-LSDHHAIUSA-N 2 1 347.463 1.747 20 0 EDADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C2)c1 ZINC000377486283 447156617 /nfs/dbraw/zinc/15/66/17/447156617.db2.gz FNJRTXWZSUJWRF-HUUCEWRRSA-N 2 1 347.463 1.747 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000425509744 447204109 /nfs/dbraw/zinc/20/41/09/447204109.db2.gz UGDAKYOXGLEEJM-HUUCEWRRSA-N 2 1 326.485 1.221 20 0 EDADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000419476365 447209119 /nfs/dbraw/zinc/20/91/19/447209119.db2.gz JKMCPTWKEPGXKY-JKSUJKDBSA-N 2 1 340.512 1.205 20 0 EDADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000419478379 447210508 /nfs/dbraw/zinc/21/05/08/447210508.db2.gz JJRLPJZKHCUVEY-HZPDHXFCSA-N 2 1 340.512 1.247 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@@H+]2CCC[C@@](O)(C(N)=O)C2)cc1 ZINC000377619038 447247965 /nfs/dbraw/zinc/24/79/65/447247965.db2.gz CWZZMGDZUMGLEH-ACJLOTCBSA-N 2 1 328.416 1.554 20 0 EDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@H+]2CCC[C@@](O)(C(N)=O)C2)cc1 ZINC000377619038 447247968 /nfs/dbraw/zinc/24/79/68/447247968.db2.gz CWZZMGDZUMGLEH-ACJLOTCBSA-N 2 1 328.416 1.554 20 0 EDADMP C[NH+](C)CCN1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000377576669 447217238 /nfs/dbraw/zinc/21/72/38/447217238.db2.gz FQUXBRKBMVTYER-GOSISDBHSA-N 2 1 332.492 1.385 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000376046464 447233263 /nfs/dbraw/zinc/23/32/63/447233263.db2.gz ZKLWXODZKVRLCH-RYQLBKOJSA-N 2 1 333.476 1.719 20 0 EDADMP COCC(C)(C)[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000425583422 447238339 /nfs/dbraw/zinc/23/83/39/447238339.db2.gz HXXISXBZZAGECV-MQVJKMGUSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCC[NH+]2CCCOCC2)C[C@@H](C)C1 ZINC000458840050 447489095 /nfs/dbraw/zinc/48/90/95/447489095.db2.gz JIBNBVINCULDHR-BBWFWOEESA-N 2 1 338.496 1.080 20 0 EDADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C[C@@H](C)C1 ZINC000458840050 447489101 /nfs/dbraw/zinc/48/91/01/447489101.db2.gz JIBNBVINCULDHR-BBWFWOEESA-N 2 1 338.496 1.080 20 0 EDADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NCC[N@H+]2CCCOCC2)C[C@@H](C)C1 ZINC000458840050 447489105 /nfs/dbraw/zinc/48/91/05/447489105.db2.gz JIBNBVINCULDHR-BBWFWOEESA-N 2 1 338.496 1.080 20 0 EDADMP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390549811 447494948 /nfs/dbraw/zinc/49/49/48/447494948.db2.gz JQUXSXSAIAGXMP-HOJAQTOUSA-N 2 1 347.503 1.634 20 0 EDADMP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390549811 447494952 /nfs/dbraw/zinc/49/49/52/447494952.db2.gz JQUXSXSAIAGXMP-HOJAQTOUSA-N 2 1 347.503 1.634 20 0 EDADMP O[C@@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)Cn1cccn1 ZINC000390878655 447504814 /nfs/dbraw/zinc/50/48/14/447504814.db2.gz VDDITWTYFBYNMP-OALUTQOASA-N 2 1 344.459 1.125 20 0 EDADMP O[C@@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)Cn1cccn1 ZINC000390878655 447504818 /nfs/dbraw/zinc/50/48/18/447504818.db2.gz VDDITWTYFBYNMP-OALUTQOASA-N 2 1 344.459 1.125 20 0 EDADMP O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390894613 447505207 /nfs/dbraw/zinc/50/52/07/447505207.db2.gz MXAJWBVIQLVONS-MOPGFXCFSA-N 2 1 345.487 1.926 20 0 EDADMP CC1(C)CCC[N@@H+]1CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000457047960 447505513 /nfs/dbraw/zinc/50/55/13/447505513.db2.gz CYPFEXGUDZPVDF-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP CC1(C)CCC[N@H+]1CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000457047960 447505517 /nfs/dbraw/zinc/50/55/17/447505517.db2.gz CYPFEXGUDZPVDF-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP CC1(C)CCC[NH+]1CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000457047960 447505519 /nfs/dbraw/zinc/50/55/19/447505519.db2.gz CYPFEXGUDZPVDF-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP CC1(C)CCC[NH+]1CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000457047960 447505521 /nfs/dbraw/zinc/50/55/21/447505521.db2.gz CYPFEXGUDZPVDF-GOSISDBHSA-N 2 1 345.487 1.878 20 0 EDADMP C[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1C[NH2+]C1 ZINC000390985258 447508614 /nfs/dbraw/zinc/50/86/14/447508614.db2.gz XNUMFTPEJIZBKF-QAPCUYQASA-N 2 1 331.460 1.249 20 0 EDADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000426927138 447517489 /nfs/dbraw/zinc/51/74/89/447517489.db2.gz SKZJLPPSZPRDTG-NJAFHUGGSA-N 2 1 334.508 1.098 20 0 EDADMP CC[N@@H+](CCNC(=O)C[NH+](C)[C@@H]1CCSC1)CCC(F)(F)F ZINC000427285168 447574433 /nfs/dbraw/zinc/57/44/33/447574433.db2.gz SWKKSBXAIYNRRC-GFCCVEGCSA-N 2 1 341.443 1.814 20 0 EDADMP CC[NH+](CCNC(=O)C[N@H+](C)[C@@H]1CCSC1)CCC(F)(F)F ZINC000427285168 447574440 /nfs/dbraw/zinc/57/44/40/447574440.db2.gz SWKKSBXAIYNRRC-GFCCVEGCSA-N 2 1 341.443 1.814 20 0 EDADMP CC[NH+](CCNC(=O)C[N@@H+](C)[C@@H]1CCSC1)CCC(F)(F)F ZINC000427285168 447574445 /nfs/dbraw/zinc/57/44/45/447574445.db2.gz SWKKSBXAIYNRRC-GFCCVEGCSA-N 2 1 341.443 1.814 20 0 EDADMP c1ccc(CN2CCN(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000400924830 447575030 /nfs/dbraw/zinc/57/50/30/447575030.db2.gz HAXWVQYSOIPAIV-NJDAHSKKSA-N 2 1 342.531 1.782 20 0 EDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC000457516112 447586290 /nfs/dbraw/zinc/58/62/90/447586290.db2.gz NOYAHSWFBWQQFS-XHSDSOJGSA-N 2 1 326.485 1.077 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C1 ZINC000457516112 447586295 /nfs/dbraw/zinc/58/62/95/447586295.db2.gz NOYAHSWFBWQQFS-XHSDSOJGSA-N 2 1 326.485 1.077 20 0 EDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C1 ZINC000457516112 447586299 /nfs/dbraw/zinc/58/62/99/447586299.db2.gz NOYAHSWFBWQQFS-XHSDSOJGSA-N 2 1 326.485 1.077 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CC1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427156243 447554576 /nfs/dbraw/zinc/55/45/76/447554576.db2.gz XIUFALCFSYKNJW-ZWKOTPCHSA-N 2 1 335.492 1.717 20 0 EDADMP C[NH+](C)CCOC1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459252380 447622018 /nfs/dbraw/zinc/62/20/18/447622018.db2.gz GWOZHLWCEGICCP-INIZCTEOSA-N 2 1 340.512 1.471 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+]1CCC[C@@H](C)C1 ZINC000457695045 447622845 /nfs/dbraw/zinc/62/28/45/447622845.db2.gz CVSXNXOGGXHZSU-ZACQAIPSSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@@H+]1CCC[C@@H](C)C1 ZINC000457695045 447622853 /nfs/dbraw/zinc/62/28/53/447622853.db2.gz CVSXNXOGGXHZSU-ZACQAIPSSA-N 2 1 340.512 1.253 20 0 EDADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@H+]1CCC[C@@H](C)C1 ZINC000457695045 447622859 /nfs/dbraw/zinc/62/28/59/447622859.db2.gz CVSXNXOGGXHZSU-ZACQAIPSSA-N 2 1 340.512 1.253 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@H+]1CCOC ZINC000459261031 447626027 /nfs/dbraw/zinc/62/60/27/447626027.db2.gz LAOQCPIZZRQIMB-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH+]1CCOC ZINC000459261031 447626029 /nfs/dbraw/zinc/62/60/29/447626029.db2.gz LAOQCPIZZRQIMB-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP CC[C@@H]1CN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1CCOC ZINC000459261031 447626036 /nfs/dbraw/zinc/62/60/36/447626036.db2.gz LAOQCPIZZRQIMB-IAGOWNOFSA-N 2 1 340.512 1.471 20 0 EDADMP CC(=O)NC1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000427694214 447634829 /nfs/dbraw/zinc/63/48/29/447634829.db2.gz BZOPSKMKFCHFPD-MHJFOBGBSA-N 2 1 345.487 1.660 20 0 EDADMP CC(=O)NC1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000427694214 447634835 /nfs/dbraw/zinc/63/48/35/447634835.db2.gz BZOPSKMKFCHFPD-MHJFOBGBSA-N 2 1 345.487 1.660 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000416870605 447700000 /nfs/dbraw/zinc/70/00/00/447700000.db2.gz OGXFAYBFXPSUNR-HZPDHXFCSA-N 2 1 326.485 1.114 20 0 EDADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000422594924 447661826 /nfs/dbraw/zinc/66/18/26/447661826.db2.gz SXPQFEBOAAMJQA-QGZVFWFLSA-N 2 1 328.460 1.798 20 0 EDADMP CC(C)(CC[NH3+])NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000422594499 447662011 /nfs/dbraw/zinc/66/20/11/447662011.db2.gz RPXQJPQSXJHZMC-UHFFFAOYSA-N 2 1 334.464 1.445 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NC(=O)NCc2cccs2)C[C@H]1C[NH3+] ZINC000422639219 447684203 /nfs/dbraw/zinc/68/42/03/447684203.db2.gz SJYPWISXWOQDLY-JHJVBQTASA-N 2 1 338.477 1.379 20 0 EDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NC(=O)NCc2cccs2)C[C@H]1C[NH3+] ZINC000422639219 447684206 /nfs/dbraw/zinc/68/42/06/447684206.db2.gz SJYPWISXWOQDLY-JHJVBQTASA-N 2 1 338.477 1.379 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416933891 447714948 /nfs/dbraw/zinc/71/49/48/447714948.db2.gz CAXVDTAMMNJJJP-JYJNAYRXSA-N 2 1 326.485 1.160 20 0 EDADMP CC(C)[C@@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000416938864 447716082 /nfs/dbraw/zinc/71/60/82/447716082.db2.gz LWPWXPCCHXPQAA-GOEBONIOSA-N 2 1 326.485 1.112 20 0 EDADMP CC(C)[C@@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000416947386 447721050 /nfs/dbraw/zinc/72/10/50/447721050.db2.gz XZWJNDFNOFYWCJ-GOSISDBHSA-N 2 1 348.491 1.514 20 0 EDADMP C[NH2+][C@H]1CCCN(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000416947791 447721897 /nfs/dbraw/zinc/72/18/97/447721897.db2.gz YGQVIXOQZRUACY-JKSUJKDBSA-N 2 1 326.485 1.127 20 0 EDADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000416947515 447721971 /nfs/dbraw/zinc/72/19/71/447721971.db2.gz YETMBPUPSDWBKV-ARFHVFGLSA-N 2 1 326.485 1.031 20 0 EDADMP CC(C)[C@H](CNC(=O)N[C@H](C)CCCC[NH3+])N1CC[NH+](C)CC1 ZINC000416955287 447724934 /nfs/dbraw/zinc/72/49/34/447724934.db2.gz MEBPBACUDNORPQ-CVEARBPZSA-N 2 1 327.517 1.075 20 0 EDADMP C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422722712 447728860 /nfs/dbraw/zinc/72/88/60/447728860.db2.gz YOLBIOZSRNUROA-YZGWKJHDSA-N 2 1 331.504 1.908 20 0 EDADMP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422722712 447728865 /nfs/dbraw/zinc/72/88/65/447728865.db2.gz YOLBIOZSRNUROA-YZGWKJHDSA-N 2 1 331.504 1.908 20 0 EDADMP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422722712 447728871 /nfs/dbraw/zinc/72/88/71/447728871.db2.gz YOLBIOZSRNUROA-YZGWKJHDSA-N 2 1 331.504 1.908 20 0 EDADMP Cc1ccc(NCCCNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)[nH+]c1 ZINC000417059189 447731885 /nfs/dbraw/zinc/73/18/85/447731885.db2.gz HPTQQFAVTCIXKW-JKSUJKDBSA-N 2 1 331.464 1.879 20 0 EDADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000459696331 447743084 /nfs/dbraw/zinc/74/30/84/447743084.db2.gz DNHKRCZBLXDUHO-IBGZPJMESA-N 2 1 333.476 1.148 20 0 EDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422878194 447770513 /nfs/dbraw/zinc/77/05/13/447770513.db2.gz JIRCQWFTZWFALG-SQNIBIBYSA-N 2 1 338.540 1.830 20 0 EDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422878194 447770514 /nfs/dbraw/zinc/77/05/14/447770514.db2.gz JIRCQWFTZWFALG-SQNIBIBYSA-N 2 1 338.540 1.830 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000430547681 447776087 /nfs/dbraw/zinc/77/60/87/447776087.db2.gz FWNFVCORQKMPTO-CABCVRRESA-N 2 1 340.489 1.918 20 0 EDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000430547681 447776089 /nfs/dbraw/zinc/77/60/89/447776089.db2.gz FWNFVCORQKMPTO-CABCVRRESA-N 2 1 340.489 1.918 20 0 EDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496499811 447791350 /nfs/dbraw/zinc/79/13/50/447791350.db2.gz TYYDGPJKPWPSOB-ZFWWWQNUSA-N 2 1 327.469 1.431 20 0 EDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496702657 447851977 /nfs/dbraw/zinc/85/19/77/447851977.db2.gz PNFHUIJHEQIRRT-RHSMWYFYSA-N 2 1 329.485 1.678 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000479648919 447823994 /nfs/dbraw/zinc/82/39/94/447823994.db2.gz QTWMKBWEBHPWSV-IAGOWNOFSA-N 2 1 340.512 1.349 20 0 EDADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000479648919 447823995 /nfs/dbraw/zinc/82/39/95/447823995.db2.gz QTWMKBWEBHPWSV-IAGOWNOFSA-N 2 1 340.512 1.349 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[NH+](C(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000523332983 447880076 /nfs/dbraw/zinc/88/00/76/447880076.db2.gz XECWZXRJTAUKNK-XDNAFOTISA-N 2 1 339.524 1.967 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[NH+](C(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000523332983 447880081 /nfs/dbraw/zinc/88/00/81/447880081.db2.gz XECWZXRJTAUKNK-XDNAFOTISA-N 2 1 339.524 1.967 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000523332983 447880085 /nfs/dbraw/zinc/88/00/85/447880085.db2.gz XECWZXRJTAUKNK-XDNAFOTISA-N 2 1 339.524 1.967 20 0 EDADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000523332983 447880089 /nfs/dbraw/zinc/88/00/89/447880089.db2.gz XECWZXRJTAUKNK-XDNAFOTISA-N 2 1 339.524 1.967 20 0 EDADMP CN1C(=O)CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1=O ZINC000575802164 447901099 /nfs/dbraw/zinc/90/10/99/447901099.db2.gz GXUHOQMIECBLIF-IRXDYDNUSA-N 2 1 341.455 1.921 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000575988614 447944288 /nfs/dbraw/zinc/94/42/88/447944288.db2.gz SDXKEXLMQLMCQI-MPTYRVRUSA-N 2 1 346.475 1.008 20 0 EDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000575988615 447944534 /nfs/dbraw/zinc/94/45/34/447944534.db2.gz SDXKEXLMQLMCQI-QBYUYEEZSA-N 2 1 346.475 1.008 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530574990 447917023 /nfs/dbraw/zinc/91/70/23/447917023.db2.gz QAYZLEHLTWORFK-ICSRJNTNSA-N 2 1 345.487 1.470 20 0 EDADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530574990 447917032 /nfs/dbraw/zinc/91/70/32/447917032.db2.gz QAYZLEHLTWORFK-ICSRJNTNSA-N 2 1 345.487 1.470 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530573868 447917395 /nfs/dbraw/zinc/91/73/95/447917395.db2.gz XVHNBGJVRUSTBL-FXAWDEMLSA-N 2 1 345.487 1.472 20 0 EDADMP C[C@H]1CCC[NH+](CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530573868 447917400 /nfs/dbraw/zinc/91/74/00/447917400.db2.gz XVHNBGJVRUSTBL-FXAWDEMLSA-N 2 1 345.487 1.472 20 0 EDADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000570055386 447939924 /nfs/dbraw/zinc/93/99/24/447939924.db2.gz OVDIGYHWBMELBW-AWEZNQCLSA-N 2 1 328.482 1.147 20 0 EDADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000570055386 447939930 /nfs/dbraw/zinc/93/99/30/447939930.db2.gz OVDIGYHWBMELBW-AWEZNQCLSA-N 2 1 328.482 1.147 20 0 EDADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000531007151 447999807 /nfs/dbraw/zinc/99/98/07/447999807.db2.gz AJNMFAGBVMAHMJ-HOCLYGCPSA-N 2 1 328.526 1.453 20 0 EDADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000576220643 448002081 /nfs/dbraw/zinc/00/20/81/448002081.db2.gz YYBWNAPKRCBMEV-AWEZNQCLSA-N 2 1 328.453 1.921 20 0 EDADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000531047476 448007452 /nfs/dbraw/zinc/00/74/52/448007452.db2.gz JCRKFCDBEFWZFQ-PKOBYXMFSA-N 2 1 331.460 1.081 20 0 EDADMP C[C@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000531046761 448007817 /nfs/dbraw/zinc/00/78/17/448007817.db2.gz ZNYVRTRFDQZKSH-YLJYHZDGSA-N 2 1 345.487 1.472 20 0 EDADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000530830416 447967217 /nfs/dbraw/zinc/96/72/17/447967217.db2.gz AAVAQRJFUPECMG-CVEARBPZSA-N 2 1 339.867 1.780 20 0 EDADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000530830416 447967225 /nfs/dbraw/zinc/96/72/25/447967225.db2.gz AAVAQRJFUPECMG-CVEARBPZSA-N 2 1 339.867 1.780 20 0 EDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000576091993 447968229 /nfs/dbraw/zinc/96/82/29/447968229.db2.gz OGRADVYLXPXPJN-HOTGVXAUSA-N 2 1 340.512 1.565 20 0 EDADMP CC[C@@H](C)NC(=O)c1cccc(CNC[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000576321654 448025367 /nfs/dbraw/zinc/02/53/67/448025367.db2.gz RRKDOFVAHOYDOR-KDOFPFPSSA-N 2 1 333.476 1.760 20 0 EDADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000525804200 448028631 /nfs/dbraw/zinc/02/86/31/448028631.db2.gz MDVFYFAXNQVATK-FUHWJXTLSA-N 2 1 330.476 1.752 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000525804200 448028635 /nfs/dbraw/zinc/02/86/35/448028635.db2.gz MDVFYFAXNQVATK-FUHWJXTLSA-N 2 1 330.476 1.752 20 0 EDADMP C[C@H]1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000525804200 448028639 /nfs/dbraw/zinc/02/86/39/448028639.db2.gz MDVFYFAXNQVATK-FUHWJXTLSA-N 2 1 330.476 1.752 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000570451627 448017200 /nfs/dbraw/zinc/01/72/00/448017200.db2.gz WAZZYIXAJWGPEI-GDBMZVCRSA-N 2 1 349.475 1.721 20 0 EDADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000570451627 448017203 /nfs/dbraw/zinc/01/72/03/448017203.db2.gz WAZZYIXAJWGPEI-GDBMZVCRSA-N 2 1 349.475 1.721 20 0 EDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]c3=O)C2)nn1 ZINC000576844767 448154973 /nfs/dbraw/zinc/15/49/73/448154973.db2.gz FHVYXOHCQQPZPY-INIZCTEOSA-N 2 1 338.415 1.828 20 0 EDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000531695789 448129498 /nfs/dbraw/zinc/12/94/98/448129498.db2.gz XBAKOCBALDZYCM-FRFSOERESA-N 2 1 347.459 1.241 20 0 EDADMP COc1cc(C[N@@H+](C)CCC[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000576754536 448133053 /nfs/dbraw/zinc/13/30/53/448133053.db2.gz DOLMYCMPRZOBFF-UHFFFAOYSA-N 2 1 335.448 1.477 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000527253805 448194663 /nfs/dbraw/zinc/19/46/63/448194663.db2.gz IPZBGPJWRNBTHC-CVEARBPZSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC000527253805 448194667 /nfs/dbraw/zinc/19/46/67/448194667.db2.gz IPZBGPJWRNBTHC-CVEARBPZSA-N 2 1 325.497 1.555 20 0 EDADMP C[C@H](O)C[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC000527253805 448194671 /nfs/dbraw/zinc/19/46/71/448194671.db2.gz IPZBGPJWRNBTHC-CVEARBPZSA-N 2 1 325.497 1.555 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000532599453 448279692 /nfs/dbraw/zinc/27/96/92/448279692.db2.gz GTBDOXPXNDDCTK-OAHLLOKOSA-N 2 1 329.448 1.458 20 0 EDADMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000532599453 448279699 /nfs/dbraw/zinc/27/96/99/448279699.db2.gz GTBDOXPXNDDCTK-OAHLLOKOSA-N 2 1 329.448 1.458 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCCC(=O)OC(C)(C)C)CC1 ZINC000532989968 448340057 /nfs/dbraw/zinc/34/00/57/448340057.db2.gz HCTWPTGOPXBGNI-UHFFFAOYSA-N 2 1 341.496 1.641 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCCC(=O)OC(C)(C)C)CC1 ZINC000532989968 448340063 /nfs/dbraw/zinc/34/00/63/448340063.db2.gz HCTWPTGOPXBGNI-UHFFFAOYSA-N 2 1 341.496 1.641 20 0 EDADMP C[N@H+]1CCC[C@@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000591571386 448394235 /nfs/dbraw/zinc/39/42/35/448394235.db2.gz LJCLOPWMXCFESZ-QGZVFWFLSA-N 2 1 338.496 1.225 20 0 EDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCN(C(C)(C)C)C3=O)C2)CC1 ZINC000577861430 448405596 /nfs/dbraw/zinc/40/55/96/448405596.db2.gz ZTIDGCSLDGPYTI-IRXDYDNUSA-N 2 1 336.524 1.486 20 0 EDADMP C[NH+](C)CCCOC1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000566182365 448407381 /nfs/dbraw/zinc/40/73/81/448407381.db2.gz HMBANUMZCIBXSA-AWEZNQCLSA-N 2 1 349.479 1.060 20 0 EDADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000566199623 448414003 /nfs/dbraw/zinc/41/40/03/448414003.db2.gz VPAFWBVIFITVMK-CRAIPNDOSA-N 2 1 330.476 1.879 20 0 EDADMP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000566296996 448437868 /nfs/dbraw/zinc/43/78/68/448437868.db2.gz BOWJDDWCVCKUSQ-IEBWSBKVSA-N 2 1 344.503 1.655 20 0 EDADMP CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000516656510 448459324 /nfs/dbraw/zinc/45/93/24/448459324.db2.gz GSTWFJAMJUHSAD-MRXNPFEDSA-N 2 1 344.503 1.365 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000584409996 448516838 /nfs/dbraw/zinc/51/68/38/448516838.db2.gz UIOKFOLOEXOWJQ-MAUKXSAKSA-N 2 1 330.476 1.441 20 0 EDADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@]3(C)CCOC3)CC2)CC1 ZINC000578337009 448522316 /nfs/dbraw/zinc/52/23/16/448522316.db2.gz WPAAQHVMFYSHTK-IBGZPJMESA-N 2 1 337.508 1.726 20 0 EDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)n1ccnc1 ZINC000578513015 448565405 /nfs/dbraw/zinc/56/54/05/448565405.db2.gz IBNNHRITDYSFAU-IAGOWNOFSA-N 3 1 335.496 1.709 20 0 EDADMP CC[NH+]1CCN(CC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000517165544 448546401 /nfs/dbraw/zinc/54/64/01/448546401.db2.gz WFUHMYCRZLEVHT-HXUWFJFHSA-N 2 1 344.503 1.405 20 0 EDADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000573316977 448595626 /nfs/dbraw/zinc/59/56/26/448595626.db2.gz SJPNCRNJBYRPSA-MKXGPGLRSA-N 3 1 341.540 1.558 20 0 EDADMP CC[NH+]1CCC(CNC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000517975110 448638286 /nfs/dbraw/zinc/63/82/86/448638286.db2.gz CEMMDLPEIORLNQ-HOTGVXAUSA-N 2 1 326.485 1.079 20 0 EDADMP CC(C)NC(=O)CN(C)CC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000579504474 448811482 /nfs/dbraw/zinc/81/14/82/448811482.db2.gz QDVLLUZCYJXNSB-UHFFFAOYSA-N 2 1 340.512 1.022 20 0 EDADMP C[C@H](c1cccnc1)[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000567987058 448793534 /nfs/dbraw/zinc/79/35/34/448793534.db2.gz OHQZBKPVSAPMGP-KBRIMQKVSA-N 2 1 329.448 1.363 20 0 EDADMP C[C@H](c1cccnc1)[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000567987058 448793539 /nfs/dbraw/zinc/79/35/39/448793539.db2.gz OHQZBKPVSAPMGP-KBRIMQKVSA-N 2 1 329.448 1.363 20 0 EDADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000529314258 448818253 /nfs/dbraw/zinc/81/82/53/448818253.db2.gz CAJYSQDNWARWCU-OWCLPIDISA-N 2 1 336.480 1.214 20 0 EDADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)o1 ZINC000592410010 448826344 /nfs/dbraw/zinc/82/63/44/448826344.db2.gz RMZVMNCGPDHBMA-IAGOWNOFSA-N 2 1 349.475 1.793 20 0 EDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CC2)[C@H](C)C1 ZINC000574403138 448866572 /nfs/dbraw/zinc/86/65/72/448866572.db2.gz XTAGSTLVRHUVJJ-BPQIPLTHSA-N 2 1 337.508 1.866 20 0 EDADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000592557937 448900849 /nfs/dbraw/zinc/90/08/49/448900849.db2.gz SLYSWZIKGAHVLH-INIZCTEOSA-N 2 1 339.528 1.138 20 0 EDADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CC(C)(C)[NH3+] ZINC000592559051 448901320 /nfs/dbraw/zinc/90/13/20/448901320.db2.gz WNZJCJFFGODMPK-AWEZNQCLSA-N 2 1 327.469 1.380 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000574567102 448902678 /nfs/dbraw/zinc/90/26/78/448902678.db2.gz WMRBRXGIIOZMSU-BRWVUGGUSA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000574567102 448902686 /nfs/dbraw/zinc/90/26/86/448902686.db2.gz WMRBRXGIIOZMSU-BRWVUGGUSA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000574567107 448903189 /nfs/dbraw/zinc/90/31/89/448903189.db2.gz WMRBRXGIIOZMSU-IKGGRYGDSA-N 2 1 340.512 1.658 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000574567107 448903191 /nfs/dbraw/zinc/90/31/91/448903191.db2.gz WMRBRXGIIOZMSU-IKGGRYGDSA-N 2 1 340.512 1.658 20 0 EDADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000568738810 448912628 /nfs/dbraw/zinc/91/26/28/448912628.db2.gz WPQKXXMPTIBMET-AKHDSKFASA-N 2 1 342.487 1.887 20 0 EDADMP CN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568738781 448913474 /nfs/dbraw/zinc/91/34/74/448913474.db2.gz TUBZFEVRTBEANP-ZWKOTPCHSA-N 2 1 346.475 1.281 20 0 EDADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)c1ccccc1 ZINC000547787128 448929736 /nfs/dbraw/zinc/92/97/36/448929736.db2.gz GBCVNZYFJAKHEX-WNRNVDISSA-N 2 1 331.460 1.108 20 0 EDADMP CN(C)[C@@H](CNC[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000574804114 448959650 /nfs/dbraw/zinc/95/96/50/448959650.db2.gz XUPNSSNRYSJWIW-PBHICJAKSA-N 2 1 325.884 1.987 20 0 EDADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000569220494 448982960 /nfs/dbraw/zinc/98/29/60/448982960.db2.gz NQMLLMYDHVFQKO-HNNXBMFYSA-N 2 1 331.464 1.694 20 0 EDADMP COC(=O)C[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000574919292 448990961 /nfs/dbraw/zinc/99/09/61/448990961.db2.gz UWJCTCJFLSZBJP-ZBFHGGJFSA-N 2 1 339.480 1.380 20 0 EDADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000575172898 449053900 /nfs/dbraw/zinc/05/39/00/449053900.db2.gz SNDNNAOHNMKUQP-WJFTUGDTSA-N 2 1 337.508 1.111 20 0 EDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592960420 449084960 /nfs/dbraw/zinc/08/49/60/449084960.db2.gz ZXENJIWQGWQMKC-CABCVRRESA-N 2 1 333.480 1.714 20 0 EDADMP C[C@@H](c1nccc(N)n1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000569620109 449058911 /nfs/dbraw/zinc/05/89/11/449058911.db2.gz YJUWVZCINSJASB-HNNXBMFYSA-N 2 1 332.496 1.469 20 0 EDADMP O=C(NCC[NH+]1CCCCC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000522256690 449067960 /nfs/dbraw/zinc/06/79/60/449067960.db2.gz WQRQNLVRTAEJQN-LJQANCHMSA-N 2 1 331.460 1.226 20 0 EDADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4COCCN4)[C@@H]3C2)cc1 ZINC000530227630 449088298 /nfs/dbraw/zinc/08/82/98/449088298.db2.gz UJPOSJUHEXPYQS-HAGHYFMRSA-N 2 1 329.488 1.865 20 0 EDADMP COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000597942775 449152409 /nfs/dbraw/zinc/15/24/09/449152409.db2.gz OHKFGSUEWJHWDN-JYJNAYRXSA-N 2 1 341.496 1.354 20 0 EDADMP COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000597942775 449152412 /nfs/dbraw/zinc/15/24/12/449152412.db2.gz OHKFGSUEWJHWDN-JYJNAYRXSA-N 2 1 341.496 1.354 20 0 EDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000611724111 449396233 /nfs/dbraw/zinc/39/62/33/449396233.db2.gz DEHYXZANUWQYOX-ZACQAIPSSA-N 2 1 338.496 1.269 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000617008388 449427349 /nfs/dbraw/zinc/42/73/49/449427349.db2.gz GEGRNAOYMBWUAG-CQSZACIVSA-N 2 1 344.463 1.825 20 0 EDADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000617008388 449427357 /nfs/dbraw/zinc/42/73/57/449427357.db2.gz GEGRNAOYMBWUAG-CQSZACIVSA-N 2 1 344.463 1.825 20 0 EDADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000605986388 449435291 /nfs/dbraw/zinc/43/52/91/449435291.db2.gz UFWZPADNEUQLAK-QGZVFWFLSA-N 2 1 339.528 1.186 20 0 EDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000617012628 449431554 /nfs/dbraw/zinc/43/15/54/449431554.db2.gz FDJPEVUTFRGKPY-XLIONFOSSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000617012628 449431558 /nfs/dbraw/zinc/43/15/58/449431558.db2.gz FDJPEVUTFRGKPY-XLIONFOSSA-N 2 1 345.487 1.612 20 0 EDADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000617012628 449431565 /nfs/dbraw/zinc/43/15/65/449431565.db2.gz FDJPEVUTFRGKPY-XLIONFOSSA-N 2 1 345.487 1.612 20 0 EDADMP CC[C@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)[NH+](CC)CC ZINC000605427047 449382058 /nfs/dbraw/zinc/38/20/58/449382058.db2.gz NZNZNOPNIHIEGR-HZPDHXFCSA-N 2 1 338.496 1.048 20 0 EDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NCC13CCC[NH+]1CCC3)n2C ZINC000614225658 449514405 /nfs/dbraw/zinc/51/44/05/449514405.db2.gz FNSWTPOTBYRCAS-UHFFFAOYSA-N 2 1 342.447 1.393 20 0 EDADMP CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000614335608 449565399 /nfs/dbraw/zinc/56/53/99/449565399.db2.gz QUDIHMMPWGUDIM-KRWDZBQOSA-N 2 1 345.491 1.390 20 0 EDADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000614335608 449565403 /nfs/dbraw/zinc/56/54/03/449565403.db2.gz QUDIHMMPWGUDIM-KRWDZBQOSA-N 2 1 345.491 1.390 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000607341996 449599183 /nfs/dbraw/zinc/59/91/83/449599183.db2.gz NCNFRNSOGABUJV-LPHOPBHVSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000607341996 449599191 /nfs/dbraw/zinc/59/91/91/449599191.db2.gz NCNFRNSOGABUJV-LPHOPBHVSA-N 2 1 345.487 1.734 20 0 EDADMP COC(=O)c1[nH]c(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000602484407 449626429 /nfs/dbraw/zinc/62/64/29/449626429.db2.gz OOUFNMOICNLWSY-QGZVFWFLSA-N 2 1 348.491 1.710 20 0 EDADMP COC(=O)c1[nH]c(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000602484407 449626432 /nfs/dbraw/zinc/62/64/32/449626432.db2.gz OOUFNMOICNLWSY-QGZVFWFLSA-N 2 1 348.491 1.710 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(-n2ccnn2)cc1 ZINC000617506556 449657169 /nfs/dbraw/zinc/65/71/69/449657169.db2.gz SDYMSUUCYHLSJH-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(-n2ccnn2)cc1 ZINC000617506556 449657175 /nfs/dbraw/zinc/65/71/75/449657175.db2.gz SDYMSUUCYHLSJH-HNNXBMFYSA-N 2 1 344.463 1.269 20 0 EDADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000602508015 449639080 /nfs/dbraw/zinc/63/90/80/449639080.db2.gz YSWJBGVPFCQNNG-HZPDHXFCSA-N 2 1 337.464 1.300 20 0 EDADMP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000612574164 449780301 /nfs/dbraw/zinc/78/03/01/449780301.db2.gz DVTBXEHMZLJDIB-DLBZAZTESA-N 2 1 338.496 1.225 20 0 EDADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000612574164 449780307 /nfs/dbraw/zinc/78/03/07/449780307.db2.gz DVTBXEHMZLJDIB-DLBZAZTESA-N 2 1 338.496 1.225 20 0 EDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000617700681 449747726 /nfs/dbraw/zinc/74/77/26/449747726.db2.gz JOFJYQPXKZTZKC-QZTJIDSGSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617700681 449747730 /nfs/dbraw/zinc/74/77/30/449747730.db2.gz JOFJYQPXKZTZKC-QZTJIDSGSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617700681 449747733 /nfs/dbraw/zinc/74/77/33/449747733.db2.gz JOFJYQPXKZTZKC-QZTJIDSGSA-N 2 1 331.460 1.354 20 0 EDADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](CCO)CC1 ZINC000601215200 449754912 /nfs/dbraw/zinc/75/49/12/449754912.db2.gz UFXQZVTXWWQRSX-SFHVURJKSA-N 2 1 346.475 1.017 20 0 EDADMP C[C@H](C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)[NH+]1CCCCCC1 ZINC000608351670 449815014 /nfs/dbraw/zinc/81/50/14/449815014.db2.gz MUBYDPPSAXFIFL-MSOLQXFVSA-N 2 1 337.508 1.964 20 0 EDADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)CC1 ZINC000615089361 449951062 /nfs/dbraw/zinc/95/10/62/449951062.db2.gz JBPOCYFPJQYVOZ-ZBFHGGJFSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000615089361 449951066 /nfs/dbraw/zinc/95/10/66/449951066.db2.gz JBPOCYFPJQYVOZ-ZBFHGGJFSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000615089361 449951071 /nfs/dbraw/zinc/95/10/71/449951071.db2.gz JBPOCYFPJQYVOZ-ZBFHGGJFSA-N 2 1 341.521 1.135 20 0 EDADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000617975554 449957248 /nfs/dbraw/zinc/95/72/48/449957248.db2.gz XQFMBCSAQFKMCR-MRXNPFEDSA-N 2 1 330.476 1.752 20 0 EDADMP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000612994635 449976247 /nfs/dbraw/zinc/97/62/47/449976247.db2.gz IOFMXYMFJDVSRB-OWCLPIDISA-N 2 1 348.491 1.071 20 0 EDADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCCC(=O)OC)CC2)CC1 ZINC000599440900 449977298 /nfs/dbraw/zinc/97/72/98/449977298.db2.gz UPANJFWHWZEYIL-UHFFFAOYSA-N 2 1 325.497 1.822 20 0 EDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3COc4ccccc4O3)C2)CC1 ZINC000609337926 450013635 /nfs/dbraw/zinc/01/36/35/450013635.db2.gz GOFGPPHXBXMFEG-IAGOWNOFSA-N 2 1 331.460 1.538 20 0 EDADMP C[NH+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000615262476 450025719 /nfs/dbraw/zinc/02/57/19/450025719.db2.gz GHDIKWHINPCBOO-QRQLOZEOSA-N 2 1 349.519 1.963 20 0 EDADMP C[NH+](C)Cc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)cn1 ZINC000615268170 450030913 /nfs/dbraw/zinc/03/09/13/450030913.db2.gz UHYDVNYLWHNZJZ-IAGOWNOFSA-N 2 1 332.448 1.078 20 0 EDADMP COC(=O)CCN1CCC[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000595344680 450058888 /nfs/dbraw/zinc/05/88/88/450058888.db2.gz NIBBWMYCUKUBTK-AWEZNQCLSA-N 2 1 334.420 1.143 20 0 EDADMP COC(=O)CCN1CCC[C@H]([N@H+]2CCC[C@H](c3ncc[nH]3)C2)C1=O ZINC000595377170 450091865 /nfs/dbraw/zinc/09/18/65/450091865.db2.gz LJDOPKVSIIFBAH-KBPBESRZSA-N 2 1 334.420 1.143 20 0 EDADMP COC(=O)[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@H]1c1ccccc1 ZINC000595564684 450237278 /nfs/dbraw/zinc/23/72/78/450237278.db2.gz UGQUDLVFMUHHGD-OKZBNKHCSA-N 2 1 334.460 1.576 20 0 EDADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@H]1c1ccccc1 ZINC000595564684 450237284 /nfs/dbraw/zinc/23/72/84/450237284.db2.gz UGQUDLVFMUHHGD-OKZBNKHCSA-N 2 1 334.460 1.576 20 0 EDADMP COC(=O)[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC000595564684 450237291 /nfs/dbraw/zinc/23/72/91/450237291.db2.gz UGQUDLVFMUHHGD-OKZBNKHCSA-N 2 1 334.460 1.576 20 0 EDADMP COC(=O)[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC000595564684 450237298 /nfs/dbraw/zinc/23/72/98/450237298.db2.gz UGQUDLVFMUHHGD-OKZBNKHCSA-N 2 1 334.460 1.576 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000618553554 450241365 /nfs/dbraw/zinc/24/13/65/450241365.db2.gz JJZRWSTYBAIEIT-QAPCUYQASA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[NH+](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000618553554 450241371 /nfs/dbraw/zinc/24/13/71/450241371.db2.gz JJZRWSTYBAIEIT-QAPCUYQASA-N 2 1 330.476 1.827 20 0 EDADMP C[C@H](CNC(=O)N[C@H]1CCC[NH+](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000618553554 450241377 /nfs/dbraw/zinc/24/13/77/450241377.db2.gz JJZRWSTYBAIEIT-QAPCUYQASA-N 2 1 330.476 1.827 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000619899340 450367167 /nfs/dbraw/zinc/36/71/67/450367167.db2.gz MFEWISKVROHMGV-IBGZPJMESA-N 2 1 344.503 1.648 20 0 EDADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620480602 450499848 /nfs/dbraw/zinc/49/98/48/450499848.db2.gz HAQXMTVJQLAUBZ-QZTJIDSGSA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000620480602 450499850 /nfs/dbraw/zinc/49/98/50/450499850.db2.gz HAQXMTVJQLAUBZ-QZTJIDSGSA-N 2 1 335.492 1.451 20 0 EDADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000620480602 450499852 /nfs/dbraw/zinc/49/98/52/450499852.db2.gz HAQXMTVJQLAUBZ-QZTJIDSGSA-N 2 1 335.492 1.451 20 0 EDADMP OC[C@]12CCC[C@H]1C[NH+](CCCC[N@@H+]1C[C@@H]3CCC[C@]3(CO)C1)C2 ZINC000626014663 450554444 /nfs/dbraw/zinc/55/44/44/450554444.db2.gz OOORQERTDAMJEI-VNTMZGSJSA-N 2 1 336.520 1.955 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH2+]1 ZINC000620902909 450558039 /nfs/dbraw/zinc/55/80/39/450558039.db2.gz BXMBICHRAWDZNY-CGTJXYLNSA-N 2 1 331.460 1.486 20 0 EDADMP CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH2+]1 ZINC000620902909 450558042 /nfs/dbraw/zinc/55/80/42/450558042.db2.gz BXMBICHRAWDZNY-CGTJXYLNSA-N 2 1 331.460 1.486 20 0 EDADMP CNS(=O)(=O)C[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000626166661 450597213 /nfs/dbraw/zinc/59/72/13/450597213.db2.gz CAYOTAITADZULX-HNNXBMFYSA-N 2 1 328.482 1.233 20 0 EDADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000626166661 450597218 /nfs/dbraw/zinc/59/72/18/450597218.db2.gz CAYOTAITADZULX-HNNXBMFYSA-N 2 1 328.482 1.233 20 0 EDADMP Cc1cc(NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)cn2cc[nH+]c12 ZINC000633011799 450609090 /nfs/dbraw/zinc/60/90/90/450609090.db2.gz BXGQNUMLFKJTPX-CYBMUJFWSA-N 2 1 329.404 1.311 20 0 EDADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000633039993 450637130 /nfs/dbraw/zinc/63/71/30/450637130.db2.gz GBTLKQDXTPZHLQ-INIZCTEOSA-N 2 1 338.496 1.367 20 0 EDADMP CCC1([NH+](C)C)CCN(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000633040682 450638230 /nfs/dbraw/zinc/63/82/30/450638230.db2.gz RJOAHKOMVRKICB-HNNXBMFYSA-N 2 1 326.485 1.223 20 0 EDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633094825 450679433 /nfs/dbraw/zinc/67/94/33/450679433.db2.gz MEIPTKRNKYHJQU-JKSUJKDBSA-N 2 1 338.496 1.049 20 0 EDADMP C[NH+](C)CCC[N@H+](C)CCNc1ccnc(Cc2ccc(F)cc2)n1 ZINC000621335785 450688789 /nfs/dbraw/zinc/68/87/89/450688789.db2.gz ZAIDPKRDXHSPAJ-UHFFFAOYSA-N 2 1 345.466 2.502 20 0 EDADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccnc(Cc2ccc(F)cc2)n1 ZINC000621335785 450688796 /nfs/dbraw/zinc/68/87/96/450688796.db2.gz ZAIDPKRDXHSPAJ-UHFFFAOYSA-N 2 1 345.466 2.502 20 0 EDADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000629482523 450707524 /nfs/dbraw/zinc/70/75/24/450707524.db2.gz WHJFCLRLMXLSQW-SFHVURJKSA-N 2 1 346.475 1.017 20 0 EDADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000624122507 450715599 /nfs/dbraw/zinc/71/55/99/450715599.db2.gz TWWSFVLTLILJAV-KBPBESRZSA-N 2 1 325.478 1.717 20 0 EDADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000624164746 450730366 /nfs/dbraw/zinc/73/03/66/450730366.db2.gz FEUFBBHIRGENAW-GOEBONIOSA-N 2 1 334.464 1.519 20 0 EDADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000624164746 450730372 /nfs/dbraw/zinc/73/03/72/450730372.db2.gz FEUFBBHIRGENAW-GOEBONIOSA-N 2 1 334.464 1.519 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000629571480 450742364 /nfs/dbraw/zinc/74/23/64/450742364.db2.gz MTJJLAVEDSNIQG-OAHLLOKOSA-N 2 1 325.840 1.613 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000629571480 450742368 /nfs/dbraw/zinc/74/23/68/450742368.db2.gz MTJJLAVEDSNIQG-OAHLLOKOSA-N 2 1 325.840 1.613 20 0 EDADMP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629572446 450742440 /nfs/dbraw/zinc/74/24/40/450742440.db2.gz SVRFJLCRODMYFK-OAHLLOKOSA-N 2 1 343.830 1.752 20 0 EDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629572446 450742443 /nfs/dbraw/zinc/74/24/43/450742443.db2.gz SVRFJLCRODMYFK-OAHLLOKOSA-N 2 1 343.830 1.752 20 0 EDADMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+])c1ccc(Cl)cc1 ZINC000629578288 450746153 /nfs/dbraw/zinc/74/61/53/450746153.db2.gz AOZUDSBVIQHYIZ-STQMWFEESA-N 2 1 327.856 1.813 20 0 EDADMP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)CCOCC[NH3+] ZINC000629580206 450747814 /nfs/dbraw/zinc/74/78/14/450747814.db2.gz UXLILETWSOQZBQ-NSHDSACASA-N 2 1 333.354 1.940 20 0 EDADMP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)CCOCC[NH3+] ZINC000629580206 450747820 /nfs/dbraw/zinc/74/78/20/450747820.db2.gz UXLILETWSOQZBQ-NSHDSACASA-N 2 1 333.354 1.940 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000626534004 450784351 /nfs/dbraw/zinc/78/43/51/450784351.db2.gz OIXIDDBLDQHCBM-LJQANCHMSA-N 2 1 342.443 1.287 20 0 EDADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000626534004 450784357 /nfs/dbraw/zinc/78/43/57/450784357.db2.gz OIXIDDBLDQHCBM-LJQANCHMSA-N 2 1 342.443 1.287 20 0 EDADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2)[NH+](C)C ZINC000635254804 450786676 /nfs/dbraw/zinc/78/66/76/450786676.db2.gz IGODEPWFMCUPSY-IMFGXOCKSA-N 2 1 345.487 1.591 20 0 EDADMP Cc1ccccc1CN1CCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000631839939 450808549 /nfs/dbraw/zinc/80/85/49/450808549.db2.gz MVYICVFFODSNCX-IEBWSBKVSA-N 2 1 344.503 1.166 20 0 EDADMP Cc1ccccc1CN1CCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000631839939 450808555 /nfs/dbraw/zinc/80/85/55/450808555.db2.gz MVYICVFFODSNCX-IEBWSBKVSA-N 2 1 344.503 1.166 20 0 EDADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000624399027 450833468 /nfs/dbraw/zinc/83/34/68/450833468.db2.gz FCNAAJMVEBIULM-HOCLYGCPSA-N 2 1 332.448 1.952 20 0 EDADMP C[NH+](C)CCn1cc(-c2ccccc2CN2CC[NH+](C)CC2)cn1 ZINC000629735383 450794373 /nfs/dbraw/zinc/79/43/73/450794373.db2.gz ULXRNEQLHBIHEB-UHFFFAOYSA-N 2 1 327.476 1.859 20 0 EDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631965009 450922979 /nfs/dbraw/zinc/92/29/79/450922979.db2.gz QTQOVQDEKBVGAY-DLBZAZTESA-N 2 1 345.553 1.854 20 0 EDADMP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000632041499 450992991 /nfs/dbraw/zinc/99/29/91/450992991.db2.gz NFLZOIBBELOOMI-KRWDZBQOSA-N 2 1 339.505 1.474 20 0 EDADMP C[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000626952318 451031409 /nfs/dbraw/zinc/03/14/09/451031409.db2.gz CSKDOXRAZLEUEO-HNNXBMFYSA-N 2 1 346.475 1.240 20 0 EDADMP C[C@H]1C[C@@H](NS(=O)(=O)CCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000632095874 451032331 /nfs/dbraw/zinc/03/23/31/451032331.db2.gz LTMMUVKZTFSBDF-DOTOQJQBSA-N 2 1 339.505 1.521 20 0 EDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626966463 451039452 /nfs/dbraw/zinc/03/94/52/451039452.db2.gz VPOFINAPMYIKQO-XQQFMLRXSA-N 2 1 338.418 1.885 20 0 EDADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000627013221 451078642 /nfs/dbraw/zinc/07/86/42/451078642.db2.gz MYWUYKBCMXHRTL-OWLYRPNTSA-N 2 1 330.476 1.947 20 0 EDADMP C[C@@]1(CNC(=O)NC[C@@H]2COCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000627016638 451082211 /nfs/dbraw/zinc/08/22/11/451082211.db2.gz QYNIIYOQSDKSEN-MJGOQNOKSA-N 2 1 346.475 1.329 20 0 EDADMP C[N@@H+](CC(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCSC1 ZINC000633944618 451119130 /nfs/dbraw/zinc/11/91/30/451119130.db2.gz KCYZZBFIYIIYGF-HNNXBMFYSA-N 2 1 325.522 1.901 20 0 EDADMP C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CCc3cccs3)CC2)C[NH2+]1 ZINC000627194155 451179676 /nfs/dbraw/zinc/17/96/76/451179676.db2.gz CPNBERUGPOVKHQ-CABCVRRESA-N 2 1 336.505 1.758 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C[NH2+]1 ZINC000627207811 451186588 /nfs/dbraw/zinc/18/65/88/451186588.db2.gz RPQPBGOQKJFODB-KBAYOESNSA-N 2 1 330.476 1.695 20 0 EDADMP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C[NH2+]1 ZINC000627207811 451186594 /nfs/dbraw/zinc/18/65/94/451186594.db2.gz RPQPBGOQKJFODB-KBAYOESNSA-N 2 1 330.476 1.695 20 0 EDADMP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000635784353 451237401 /nfs/dbraw/zinc/23/74/01/451237401.db2.gz DVXAEPZCCAGMNH-ROUUACIJSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000635784353 451237408 /nfs/dbraw/zinc/23/74/08/451237408.db2.gz DVXAEPZCCAGMNH-ROUUACIJSA-N 2 1 331.460 1.354 20 0 EDADMP C[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000635784353 451237412 /nfs/dbraw/zinc/23/74/12/451237412.db2.gz DVXAEPZCCAGMNH-ROUUACIJSA-N 2 1 331.460 1.354 20 0 EDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638085538 451249295 /nfs/dbraw/zinc/24/92/95/451249295.db2.gz MKFZCDZTGLTBKV-CABCVRRESA-N 2 1 331.464 1.662 20 0 EDADMP C[NH+](CCNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000638098609 451263791 /nfs/dbraw/zinc/26/37/91/451263791.db2.gz BVAJTTDPZASPDY-GOSISDBHSA-N 2 1 332.492 1.436 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000638098609 451263795 /nfs/dbraw/zinc/26/37/95/451263795.db2.gz BVAJTTDPZASPDY-GOSISDBHSA-N 2 1 332.492 1.436 20 0 EDADMP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000638098609 451263800 /nfs/dbraw/zinc/26/38/00/451263800.db2.gz BVAJTTDPZASPDY-GOSISDBHSA-N 2 1 332.492 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000638098609 451263805 /nfs/dbraw/zinc/26/38/05/451263805.db2.gz BVAJTTDPZASPDY-GOSISDBHSA-N 2 1 332.492 1.436 20 0 EDADMP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000638098609 451263810 /nfs/dbraw/zinc/26/38/10/451263810.db2.gz BVAJTTDPZASPDY-GOSISDBHSA-N 2 1 332.492 1.436 20 0 EDADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000638100681 451266511 /nfs/dbraw/zinc/26/65/11/451266511.db2.gz SAFGPGZQHNXKCA-QGZVFWFLSA-N 2 1 347.459 1.307 20 0 EDADMP C[C@@H](O)CN1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](C)C1 ZINC000635818711 451267060 /nfs/dbraw/zinc/26/70/60/451267060.db2.gz KXNHTKQJAYZGFY-DLBZAZTESA-N 2 1 333.476 1.074 20 0 EDADMP [NH3+]Cc1ncc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000638117598 451287043 /nfs/dbraw/zinc/28/70/43/451287043.db2.gz MRYFWJBUEXQKPC-MRXNPFEDSA-N 2 1 325.416 1.330 20 0 EDADMP [NH3+]C[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCCOC1 ZINC000638118189 451287294 /nfs/dbraw/zinc/28/72/94/451287294.db2.gz QOROXMICMHJFIF-HKUYNNGSSA-N 2 1 331.460 1.523 20 0 EDADMP C[NH+](C)CCC[N@H+](C)CCn1cc(-c2cc(F)c(N)c(F)c2)nn1 ZINC000630610688 451274317 /nfs/dbraw/zinc/27/43/17/451274317.db2.gz PCDASFSDGHSKNQ-UHFFFAOYSA-N 2 1 338.406 1.689 20 0 EDADMP C[NH+](C)CCC[N@@H+](C)CCn1cc(-c2cc(F)c(N)c(F)c2)nn1 ZINC000630610688 451274321 /nfs/dbraw/zinc/27/43/21/451274321.db2.gz PCDASFSDGHSKNQ-UHFFFAOYSA-N 2 1 338.406 1.689 20 0 EDADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(C)C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000638113751 451280845 /nfs/dbraw/zinc/28/08/45/451280845.db2.gz UWEVNADMVVZTKV-KPFFTGBYSA-N 2 1 345.487 1.876 20 0 EDADMP COc1cccc([C@@H]([NH3+])C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000638129944 451300590 /nfs/dbraw/zinc/30/05/90/451300590.db2.gz GOZSVULDJIYXQE-CRAIPNDOSA-N 2 1 331.460 1.885 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000638160993 451329769 /nfs/dbraw/zinc/32/97/69/451329769.db2.gz MWBIKBKEBWYNCB-GOSISDBHSA-N 2 1 342.443 1.422 20 0 EDADMP C[N@H+]1CCCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000638171401 451334945 /nfs/dbraw/zinc/33/49/45/451334945.db2.gz VNSLYFHVOVZUEE-UHFFFAOYSA-N 2 1 344.503 1.534 20 0 EDADMP C[N@@H+]1CCCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000638171401 451334950 /nfs/dbraw/zinc/33/49/50/451334950.db2.gz VNSLYFHVOVZUEE-UHFFFAOYSA-N 3 1 344.503 1.534 20 0 EDADMP C[N@H+]1CCCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000638171401 451334956 /nfs/dbraw/zinc/33/49/56/451334956.db2.gz VNSLYFHVOVZUEE-UHFFFAOYSA-N 3 1 344.503 1.534 20 0 EDADMP CC1(C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000640511870 451362961 /nfs/dbraw/zinc/36/29/61/451362961.db2.gz IKMQUZWNTBFUDB-CVEARBPZSA-N 2 1 328.416 1.563 20 0 EDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000636629662 451367531 /nfs/dbraw/zinc/36/75/31/451367531.db2.gz UVHNHSAHGAYBJN-NJAFHUGGSA-N 2 1 346.475 1.188 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000636629662 451367534 /nfs/dbraw/zinc/36/75/34/451367534.db2.gz UVHNHSAHGAYBJN-NJAFHUGGSA-N 2 1 346.475 1.188 20 0 EDADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000636629662 451367537 /nfs/dbraw/zinc/36/75/37/451367537.db2.gz UVHNHSAHGAYBJN-NJAFHUGGSA-N 2 1 346.475 1.188 20 0 EDADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000640520339 451370221 /nfs/dbraw/zinc/37/02/21/451370221.db2.gz QEWMAMARPUSSLP-KFWWJZLASA-N 2 1 325.497 1.769 20 0 EDADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)c1 ZINC000640525436 451375427 /nfs/dbraw/zinc/37/54/27/451375427.db2.gz OMUYBGNKRRQWJM-QZTJIDSGSA-N 2 1 345.487 1.977 20 0 EDADMP [NH3+]CC[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000638265494 451387430 /nfs/dbraw/zinc/38/74/30/451387430.db2.gz COSVQEVXXYXNEK-KBPBESRZSA-N 2 1 329.366 1.904 20 0 EDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638285228 451403183 /nfs/dbraw/zinc/40/31/83/451403183.db2.gz VQYPKQKWROIATR-QZTJIDSGSA-N 2 1 332.492 1.244 20 0 EDADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638285228 451403187 /nfs/dbraw/zinc/40/31/87/451403187.db2.gz VQYPKQKWROIATR-QZTJIDSGSA-N 2 1 332.492 1.244 20 0 EDADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638285228 451403191 /nfs/dbraw/zinc/40/31/91/451403191.db2.gz VQYPKQKWROIATR-QZTJIDSGSA-N 2 1 332.492 1.244 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638298760 451413764 /nfs/dbraw/zinc/41/37/64/451413764.db2.gz GDXFJMNAJLJKMD-SFHVURJKSA-N 2 1 343.475 1.499 20 0 EDADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638298760 451413768 /nfs/dbraw/zinc/41/37/68/451413768.db2.gz GDXFJMNAJLJKMD-SFHVURJKSA-N 2 1 343.475 1.499 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cn1 ZINC000630808938 451414301 /nfs/dbraw/zinc/41/43/01/451414301.db2.gz QJUXOASIIGGPSS-UHFFFAOYSA-N 2 1 347.488 1.294 20 0 EDADMP C[NH+](C)CCn1cc(C(=O)NCC[N@H+]2CCc3sccc3C2)cn1 ZINC000630808938 451414305 /nfs/dbraw/zinc/41/43/05/451414305.db2.gz QJUXOASIIGGPSS-UHFFFAOYSA-N 2 1 347.488 1.294 20 0 EDADMP C[C@@H]1C[C@H](C)N(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000638357455 451457624 /nfs/dbraw/zinc/45/76/24/451457624.db2.gz MHQWFNXZONWNHM-MXSMSXNCSA-N 2 1 332.492 1.278 20 0 EDADMP C[C@@H]1C[C@H](C)N(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000638357455 451457631 /nfs/dbraw/zinc/45/76/31/451457631.db2.gz MHQWFNXZONWNHM-MXSMSXNCSA-N 2 1 332.492 1.278 20 0 EDADMP CCNC(=O)N1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634707974 451485500 /nfs/dbraw/zinc/48/55/00/451485500.db2.gz OMMBBCWKGYJZSV-IEBWSBKVSA-N 2 1 346.475 1.017 20 0 EDADMP CCNC(=O)N1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634707974 451485503 /nfs/dbraw/zinc/48/55/03/451485503.db2.gz OMMBBCWKGYJZSV-IEBWSBKVSA-N 2 1 346.475 1.017 20 0 EDADMP CC(C)C(=O)NCCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634709260 451488062 /nfs/dbraw/zinc/48/80/62/451488062.db2.gz GRTNMDDCRKKOIL-LJQANCHMSA-N 2 1 333.476 1.375 20 0 EDADMP CC(C)C(=O)NCCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709260 451488070 /nfs/dbraw/zinc/48/80/70/451488070.db2.gz GRTNMDDCRKKOIL-LJQANCHMSA-N 2 1 333.476 1.375 20 0 EDADMP CNC(=O)C1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634711745 451491002 /nfs/dbraw/zinc/49/10/02/451491002.db2.gz UCLWWVLCBUDKDV-AFMYVXGZSA-N 2 1 345.487 1.518 20 0 EDADMP CNC(=O)C1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634711745 451491007 /nfs/dbraw/zinc/49/10/07/451491007.db2.gz UCLWWVLCBUDKDV-AFMYVXGZSA-N 2 1 345.487 1.518 20 0 EDADMP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638402855 451491248 /nfs/dbraw/zinc/49/12/48/451491248.db2.gz DFUVZRPTZROLPY-PXNSSMCTSA-N 2 1 345.487 1.721 20 0 EDADMP O[C@@]1(C[NH2+]CCO[C@H]2CC2(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634649509 451443721 /nfs/dbraw/zinc/44/37/21/451443721.db2.gz OVWOSCITLLOLCD-JKSUJKDBSA-N 2 1 326.387 1.637 20 0 EDADMP O[C@@]1(C[NH2+]CCO[C@H]2CC2(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649509 451443726 /nfs/dbraw/zinc/44/37/26/451443726.db2.gz OVWOSCITLLOLCD-JKSUJKDBSA-N 2 1 326.387 1.637 20 0 EDADMP OCC[N@H+]1CCCC[C@@H]1CNC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634721008 451501463 /nfs/dbraw/zinc/50/14/63/451501463.db2.gz SJZPVOJYPKUVHB-UXHICEINSA-N 2 1 347.503 1.060 20 0 EDADMP OCC[NH+]1CCCC[C@@H]1CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721008 451501464 /nfs/dbraw/zinc/50/14/64/451501464.db2.gz SJZPVOJYPKUVHB-UXHICEINSA-N 2 1 347.503 1.060 20 0 EDADMP OCC[NH+]1CCCC[C@@H]1CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721008 451501468 /nfs/dbraw/zinc/50/14/68/451501468.db2.gz SJZPVOJYPKUVHB-UXHICEINSA-N 2 1 347.503 1.060 20 0 EDADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000638415556 451501521 /nfs/dbraw/zinc/50/15/21/451501521.db2.gz IHBIIKGSLISKRC-BJLQDIEVSA-N 2 1 345.487 1.529 20 0 EDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638415789 451501553 /nfs/dbraw/zinc/50/15/53/451501553.db2.gz LPHQFKUPGGWMJZ-AZUAARDMSA-N 2 1 345.487 1.517 20 0 EDADMP O=C1[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1C1CCC1 ZINC000634723254 451504575 /nfs/dbraw/zinc/50/45/75/451504575.db2.gz GYQHHPMXQQVKLE-QUCCMNQESA-N 2 1 343.471 1.366 20 0 EDADMP O=C1[C@H]([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CCN1C1CCC1 ZINC000634723254 451504578 /nfs/dbraw/zinc/50/45/78/451504578.db2.gz GYQHHPMXQQVKLE-QUCCMNQESA-N 2 1 343.471 1.366 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638448443 451520669 /nfs/dbraw/zinc/52/06/69/451520669.db2.gz RIPQBXUKXRLKDH-AEFFLSMTSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000638448443 451520675 /nfs/dbraw/zinc/52/06/75/451520675.db2.gz RIPQBXUKXRLKDH-AEFFLSMTSA-N 2 1 331.460 1.488 20 0 EDADMP C[C@H](CNC(=O)C[N@@H+](C)CCc1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000636139962 451541453 /nfs/dbraw/zinc/54/14/53/451541453.db2.gz RNHICXCOTLKBIZ-KURKYZTESA-N 2 1 347.503 1.775 20 0 EDADMP C[C@H](CNC(=O)CN(C)CCc1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000636139962 451541457 /nfs/dbraw/zinc/54/14/57/451541457.db2.gz RNHICXCOTLKBIZ-KURKYZTESA-N 2 1 347.503 1.775 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634780505 451542548 /nfs/dbraw/zinc/54/25/48/451542548.db2.gz JZZFRKOZOIZLDJ-YSHGAJCASA-N 2 1 343.471 1.344 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634780505 451542552 /nfs/dbraw/zinc/54/25/52/451542552.db2.gz JZZFRKOZOIZLDJ-YSHGAJCASA-N 2 1 343.471 1.344 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634780505 451542555 /nfs/dbraw/zinc/54/25/55/451542555.db2.gz JZZFRKOZOIZLDJ-YSHGAJCASA-N 2 1 343.471 1.344 20 0 EDADMP CCC[C@@H](C)C(=O)NCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715083 451495785 /nfs/dbraw/zinc/49/57/85/451495785.db2.gz XBZQODJOEXNQQH-XLIONFOSSA-N 2 1 347.503 1.765 20 0 EDADMP CCC[C@@H](C)C(=O)NCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715083 451495788 /nfs/dbraw/zinc/49/57/88/451495788.db2.gz XBZQODJOEXNQQH-XLIONFOSSA-N 2 1 347.503 1.765 20 0 EDADMP [NH3+]C1(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000638540162 451568246 /nfs/dbraw/zinc/56/82/46/451568246.db2.gz ZUFALFLEUZPIEY-KRWDZBQOSA-N 2 1 331.460 1.523 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638550843 451572264 /nfs/dbraw/zinc/57/22/64/451572264.db2.gz LSEAGDLFNYGTGB-UHFFFAOYSA-N 2 1 348.397 1.767 20 0 EDADMP C[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638591254 451594095 /nfs/dbraw/zinc/59/40/95/451594095.db2.gz FRCFRKLAJFHLAY-SFHVURJKSA-N 2 1 333.476 1.593 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[N@H+]1C1CC1 ZINC000636907001 451597113 /nfs/dbraw/zinc/59/71/13/451597113.db2.gz HJBUIHMDFZYLJZ-ZIAGYGMSSA-N 2 1 346.479 1.897 20 0 EDADMP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000636252653 451623005 /nfs/dbraw/zinc/62/30/05/451623005.db2.gz CCJBFRAKDQLZQP-KRWDZBQOSA-N 2 1 337.508 1.868 20 0 EDADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)cc2F)CC1 ZINC000638642322 451626940 /nfs/dbraw/zinc/62/69/40/451626940.db2.gz IHLCKEIPKDBWDT-ZBFHGGJFSA-N 2 1 348.466 1.838 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000631195529 451636282 /nfs/dbraw/zinc/63/62/82/451636282.db2.gz HSVTVJHIYSGKIQ-NVXWUHKLSA-N 2 1 330.476 1.887 20 0 EDADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000632905698 451643576 /nfs/dbraw/zinc/64/35/76/451643576.db2.gz YSWOGUXBJACORU-ZBFHGGJFSA-N 2 1 332.448 1.515 20 0 EDADMP CCC[C@H](C)NC(=O)[C@@H](C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640908673 451685215 /nfs/dbraw/zinc/68/52/15/451685215.db2.gz LEJAHMQBDHVJEQ-UONOGXRCSA-N 2 1 336.484 1.110 20 0 EDADMP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccn1 ZINC000637028986 451687548 /nfs/dbraw/zinc/68/75/48/451687548.db2.gz PHRAPUDDELUUBS-IAGOWNOFSA-N 2 1 346.475 1.578 20 0 EDADMP C[C@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000637032464 451689198 /nfs/dbraw/zinc/68/91/98/451689198.db2.gz AYOPMUVLEYGUNA-YQQAZPJKSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@H](NC(=O)NCC[NH+]1CC[C@@H](O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637032464 451689201 /nfs/dbraw/zinc/68/92/01/451689201.db2.gz AYOPMUVLEYGUNA-YQQAZPJKSA-N 2 1 338.496 1.005 20 0 EDADMP C[C@H](NC(=O)NCC[NH+]1CC[C@@H](O)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000637032464 451689205 /nfs/dbraw/zinc/68/92/05/451689205.db2.gz AYOPMUVLEYGUNA-YQQAZPJKSA-N 2 1 338.496 1.005 20 0 EDADMP CCC1([NH+]2CCCC2)CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000638861797 451713563 /nfs/dbraw/zinc/71/35/63/451713563.db2.gz GERZWZCCGJWARS-OAHLLOKOSA-N 2 1 345.491 1.967 20 0 EDADMP COC[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CCCC[NH2+]1 ZINC000639001405 451750374 /nfs/dbraw/zinc/75/03/74/451750374.db2.gz KXLNYZCRVGCVKJ-ICSRJNTNSA-N 2 1 345.487 1.844 20 0 EDADMP CCN1CC[NH+](CCC(=O)N2CC[C@H](C[NH3+])c3ccccc32)CC1 ZINC000639066920 451760755 /nfs/dbraw/zinc/76/07/55/451760755.db2.gz FYEUFHWDLJXXNL-MRXNPFEDSA-N 2 1 330.476 1.493 20 0 EDADMP Cc1[nH+]ccn1CCCCn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641150613 451762959 /nfs/dbraw/zinc/76/29/59/451762959.db2.gz NNLPEXYSLXQXMZ-UHFFFAOYSA-N 2 1 331.468 1.229 20 0 EDADMP CC(C)[N@H+](C)C[C@@H](O)Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000641221141 451787316 /nfs/dbraw/zinc/78/73/16/451787316.db2.gz GITWYDBJBZXXEU-IEBWSBKVSA-N 2 1 343.475 1.756 20 0 EDADMP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000641221141 451787317 /nfs/dbraw/zinc/78/73/17/451787317.db2.gz GITWYDBJBZXXEU-IEBWSBKVSA-N 2 1 343.475 1.756 20 0 EDADMP O=C(C[NH2+]Cc1ccnn1CC1CCC1)NCC[NH+]1CCCCCC1 ZINC000639204959 451791830 /nfs/dbraw/zinc/79/18/30/451791830.db2.gz GQNVIPPUAGEIJA-UHFFFAOYSA-N 2 1 347.507 1.765 20 0 EDADMP c1ccc(C(CN2C[C@H]3C[NH2+]C[C@H]3C2)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000639457489 451878097 /nfs/dbraw/zinc/87/80/97/451878097.db2.gz UBJRSQYOANKRPE-FGYAAKKASA-N 3 1 340.515 1.073 20 0 EDADMP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000637473414 451891616 /nfs/dbraw/zinc/89/16/16/451891616.db2.gz DMBIVSYHJITLLG-MRXNPFEDSA-N 2 1 338.496 1.101 20 0 EDADMP O[C@]1(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)CCN(Cc2ccccc2)C1 ZINC000639545316 451936659 /nfs/dbraw/zinc/93/66/59/451936659.db2.gz UUXRTAJQECALGT-AABGKKOBSA-N 2 1 330.472 1.982 20 0 EDADMP O[C@]1(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639545316 451936666 /nfs/dbraw/zinc/93/66/66/451936666.db2.gz UUXRTAJQECALGT-AABGKKOBSA-N 2 1 330.472 1.982 20 0 EDADMP O[C@]1(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639545316 451936675 /nfs/dbraw/zinc/93/66/75/451936675.db2.gz UUXRTAJQECALGT-AABGKKOBSA-N 2 1 330.472 1.982 20 0 EDADMP O[C@]1(C[NH+]2CC[C@@H]([C@H]3CCOC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639545316 451936680 /nfs/dbraw/zinc/93/66/80/451936680.db2.gz UUXRTAJQECALGT-AABGKKOBSA-N 2 1 330.472 1.982 20 0 EDADMP O[C@]1(C[NH+]2CC[C@@H]([C@H]3CCOC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639545316 451936687 /nfs/dbraw/zinc/93/66/87/451936687.db2.gz UUXRTAJQECALGT-AABGKKOBSA-N 2 1 330.472 1.982 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NCC(=O)Nc2ccccn2)[C@@H](C)C1 ZINC000639588601 451958579 /nfs/dbraw/zinc/95/85/79/451958579.db2.gz DQKNDMGOOCLQJN-JKSUJKDBSA-N 2 1 334.464 1.747 20 0 EDADMP CC(=O)N1CC[C@@]([NH3+])(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000649288762 451964311 /nfs/dbraw/zinc/96/43/11/451964311.db2.gz IIKLXLILYVYUPP-IBGZPJMESA-N 2 1 346.475 1.093 20 0 EDADMP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000651631322 451976415 /nfs/dbraw/zinc/97/64/15/451976415.db2.gz JASIFHYJMJTGGN-UHFFFAOYSA-N 2 1 327.472 1.915 20 0 EDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])CC(C)C)cc2)CC1 ZINC000649308461 451985140 /nfs/dbraw/zinc/98/51/40/451985140.db2.gz IAXYCVDYSCTNCQ-KRWDZBQOSA-N 2 1 346.475 1.776 20 0 EDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000649308698 451986520 /nfs/dbraw/zinc/98/65/20/451986520.db2.gz VYVLLMVUSZYVMP-PBHICJAKSA-N 2 1 346.475 1.776 20 0 EDADMP Cc1ncc(CNC(=O)CC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)s1 ZINC000639659824 452004874 /nfs/dbraw/zinc/00/48/74/452004874.db2.gz POASMWLBGINARL-QGZVFWFLSA-N 2 1 336.505 1.876 20 0 EDADMP Cc1ncc(CNC(=O)CC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)s1 ZINC000639659824 452004882 /nfs/dbraw/zinc/00/48/82/452004882.db2.gz POASMWLBGINARL-QGZVFWFLSA-N 2 1 336.505 1.876 20 0 EDADMP Cc1ncc(CNC(=O)CC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)s1 ZINC000639659824 452004888 /nfs/dbraw/zinc/00/48/88/452004888.db2.gz POASMWLBGINARL-QGZVFWFLSA-N 2 1 336.505 1.876 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)CC2)cs1 ZINC000644814835 452007048 /nfs/dbraw/zinc/00/70/48/452007048.db2.gz MMSLLGAXVCTAER-WBVHZDCISA-N 2 1 348.516 1.826 20 0 EDADMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)CC2)cs1 ZINC000644814835 452007057 /nfs/dbraw/zinc/00/70/57/452007057.db2.gz MMSLLGAXVCTAER-WBVHZDCISA-N 2 1 348.516 1.826 20 0 EDADMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000649351365 452034916 /nfs/dbraw/zinc/03/49/16/452034916.db2.gz QNCGUYRWTSOMEJ-MAUKXSAKSA-N 2 1 348.466 1.439 20 0 EDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3[NH2+]CCc4ccccc43)CC2)C1 ZINC000649352707 452036627 /nfs/dbraw/zinc/03/66/27/452036627.db2.gz GJCKUDKGPVEVBX-IEBWSBKVSA-N 2 1 342.487 1.112 20 0 EDADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C2)cc1 ZINC000637721334 452046564 /nfs/dbraw/zinc/04/65/64/452046564.db2.gz ZRRCTQMPQVPZAW-IEBWSBKVSA-N 2 1 348.491 1.181 20 0 EDADMP CC[N@@H+](C)C[C@H](O)CN[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000653682032 452075423 /nfs/dbraw/zinc/07/54/23/452075423.db2.gz RRKVGYGAOKNMHK-IKGGRYGDSA-N 2 1 325.884 1.987 20 0 EDADMP Cc1ncsc1CC[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000649420731 452082887 /nfs/dbraw/zinc/08/28/87/452082887.db2.gz DWNBEQWZBNVTKQ-GJZGRUSLSA-N 2 1 349.504 1.214 20 0 EDADMP COC1CC[NH+](CCNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000643227218 452083228 /nfs/dbraw/zinc/08/32/28/452083228.db2.gz OKZWHTUGHGAKOB-UHFFFAOYSA-N 2 1 336.436 1.111 20 0 EDADMP C[N@H+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C(C)(C)C ZINC000639748318 452089679 /nfs/dbraw/zinc/08/96/79/452089679.db2.gz MPKFDUIEYCIUIO-QGZVFWFLSA-N 2 1 336.524 1.392 20 0 EDADMP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000637801099 452090988 /nfs/dbraw/zinc/09/09/88/452090988.db2.gz IBXVWDSMFUXGIP-ZIFCJYIRSA-N 2 1 329.444 1.085 20 0 EDADMP O=C(C[NH2+]Cc1cc2cnccc2o1)NCC[NH+]1CCCCCC1 ZINC000651816146 452094108 /nfs/dbraw/zinc/09/41/08/452094108.db2.gz GACSZEUYMVCKMZ-UHFFFAOYSA-N 2 1 330.432 1.910 20 0 EDADMP CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637827064 452103518 /nfs/dbraw/zinc/10/35/18/452103518.db2.gz MYODZOJDUAOHFS-MJGOQNOKSA-N 2 1 331.460 1.251 20 0 EDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000639769398 452111496 /nfs/dbraw/zinc/11/14/96/452111496.db2.gz YHRXITBDHXEVEC-XLIONFOSSA-N 2 1 345.487 1.537 20 0 EDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000639769395 452111544 /nfs/dbraw/zinc/11/15/44/452111544.db2.gz YHRXITBDHXEVEC-FXAWDEMLSA-N 2 1 345.487 1.537 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000637860671 452118649 /nfs/dbraw/zinc/11/86/49/452118649.db2.gz CAUWJVAXBINFOG-SFHVURJKSA-N 2 1 332.492 1.294 20 0 EDADMP CC[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000637860671 452118656 /nfs/dbraw/zinc/11/86/56/452118656.db2.gz CAUWJVAXBINFOG-SFHVURJKSA-N 2 1 332.492 1.294 20 0 EDADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000641622784 452143131 /nfs/dbraw/zinc/14/31/31/452143131.db2.gz BEJXQSHTESEWIX-GJZGRUSLSA-N 2 1 331.526 1.463 20 0 EDADMP c1cnc2c(c1)CC[C@H]([NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000643346207 452144416 /nfs/dbraw/zinc/14/44/16/452144416.db2.gz LZODZHHKYMEOOA-OALUTQOASA-N 2 1 344.503 1.325 20 0 EDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000641624329 452144758 /nfs/dbraw/zinc/14/47/58/452144758.db2.gz CBGRRTOCQBWMKQ-OAHLLOKOSA-N 2 1 340.512 1.517 20 0 EDADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000641624329 452144760 /nfs/dbraw/zinc/14/47/60/452144760.db2.gz CBGRRTOCQBWMKQ-OAHLLOKOSA-N 2 1 340.512 1.517 20 0 EDADMP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000639876985 452212922 /nfs/dbraw/zinc/21/29/22/452212922.db2.gz GXYDWKHZUIGKIY-KURKYZTESA-N 2 1 337.508 1.425 20 0 EDADMP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000639876985 452212924 /nfs/dbraw/zinc/21/29/24/452212924.db2.gz GXYDWKHZUIGKIY-KURKYZTESA-N 2 1 337.508 1.425 20 0 EDADMP Cc1cc(CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[nH]n1 ZINC000637988195 452231490 /nfs/dbraw/zinc/23/14/90/452231490.db2.gz UVMBTLOXLZLAOE-UHFFFAOYSA-N 2 1 341.459 1.718 20 0 EDADMP Cc1nc(CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)no1 ZINC000638001080 452240065 /nfs/dbraw/zinc/24/00/65/452240065.db2.gz BNDOGMHXECKANF-UHFFFAOYSA-N 2 1 343.431 1.378 20 0 EDADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000641773225 452245642 /nfs/dbraw/zinc/24/56/42/452245642.db2.gz WUNBJJSCGBJWLP-QGZVFWFLSA-N 2 1 331.464 1.758 20 0 EDADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)cc2)CC1 ZINC000655449977 452246871 /nfs/dbraw/zinc/24/68/71/452246871.db2.gz YAELYFLJFXISFE-ICSRJNTNSA-N 2 1 342.487 1.762 20 0 EDADMP Cc1ccc(C[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000647530186 452266712 /nfs/dbraw/zinc/26/67/12/452266712.db2.gz ZEMCHTBZCUKVMA-NHCUHLMSSA-N 2 1 342.483 1.981 20 0 EDADMP Cc1ccc(C[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000647530186 452266723 /nfs/dbraw/zinc/26/67/23/452266723.db2.gz ZEMCHTBZCUKVMA-NHCUHLMSSA-N 2 1 342.483 1.981 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])[NH+]1CCOCC1 ZINC000659430263 452275144 /nfs/dbraw/zinc/27/51/44/452275144.db2.gz ALZCXADFCRCQPC-OAHLLOKOSA-N 2 1 328.501 1.502 20 0 EDADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000643515989 452281007 /nfs/dbraw/zinc/28/10/07/452281007.db2.gz IPRSDPUVVJYULJ-AWEZNQCLSA-N 2 1 337.489 1.731 20 0 EDADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](COC)c2cccc(OC)c2)CC1 ZINC000661477399 452282561 /nfs/dbraw/zinc/28/25/61/452282561.db2.gz WJEWPUFMHYWDRG-GOSISDBHSA-N 2 1 349.475 1.573 20 0 EDADMP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641806341 452285403 /nfs/dbraw/zinc/28/54/03/452285403.db2.gz QRPSHAVWUWIGBS-XYPHTWIQSA-N 2 1 347.459 1.390 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000659460819 452314550 /nfs/dbraw/zinc/31/45/50/452314550.db2.gz UIMQOPLBIONPBC-BZZMCLGOSA-N 2 1 330.476 1.914 20 0 EDADMP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000659460626 452315117 /nfs/dbraw/zinc/31/51/17/452315117.db2.gz ZOSROHJGIBWWPB-CVEARBPZSA-N 2 1 333.480 1.104 20 0 EDADMP C[NH+]1CCC(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000638050097 452321358 /nfs/dbraw/zinc/32/13/58/452321358.db2.gz KCUICFWYWNNKOV-UHFFFAOYSA-N 3 1 344.503 1.580 20 0 EDADMP CCO[C@@H]1CN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652129060 452325658 /nfs/dbraw/zinc/32/56/58/452325658.db2.gz UIFMWBKHOVFKKM-GVDBMIGSSA-N 2 1 340.512 1.504 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)C[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659469165 452326547 /nfs/dbraw/zinc/32/65/47/452326547.db2.gz HOXRGXJGNHHKBK-RYQLBKOJSA-N 2 1 348.491 1.573 20 0 EDADMP CC[C@H](NC(=O)N[C@@H](C)C[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659469165 452326555 /nfs/dbraw/zinc/32/65/55/452326555.db2.gz HOXRGXJGNHHKBK-RYQLBKOJSA-N 2 1 348.491 1.573 20 0 EDADMP Cc1ccc(CNC(=O)N2CC3CC2(C[NH3+])C3)c(N2CCCC2)[nH+]1 ZINC000659481283 452342512 /nfs/dbraw/zinc/34/25/12/452342512.db2.gz XBBKEUAMKXQSNS-UHFFFAOYSA-N 2 1 329.448 1.623 20 0 EDADMP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000638059669 452351846 /nfs/dbraw/zinc/35/18/46/452351846.db2.gz VESZUSBIHBXMEO-ZWKOTPCHSA-N 2 1 349.475 1.038 20 0 EDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638063543 452360883 /nfs/dbraw/zinc/36/08/83/452360883.db2.gz VLFASDSTODBZRJ-HXUWFJFHSA-N 2 1 345.487 1.785 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000657594434 452361452 /nfs/dbraw/zinc/36/14/52/452361452.db2.gz AJIBAIRGLHSCPH-SLFFLAALSA-N 3 1 329.488 1.970 20 0 EDADMP O[C@@H]1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000657594434 452361456 /nfs/dbraw/zinc/36/14/56/452361456.db2.gz AJIBAIRGLHSCPH-SLFFLAALSA-N 3 1 329.488 1.970 20 0 EDADMP O[C@@H]1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000657594434 452361459 /nfs/dbraw/zinc/36/14/59/452361459.db2.gz AJIBAIRGLHSCPH-SLFFLAALSA-N 3 1 329.488 1.970 20 0 EDADMP O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000657594434 452361461 /nfs/dbraw/zinc/36/14/61/452361461.db2.gz AJIBAIRGLHSCPH-SLFFLAALSA-N 2 1 329.488 1.970 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000657594434 452361464 /nfs/dbraw/zinc/36/14/64/452361464.db2.gz AJIBAIRGLHSCPH-SLFFLAALSA-N 2 1 329.488 1.970 20 0 EDADMP O[C@@H]1CC[NH+](Cc2ccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000657594434 452361472 /nfs/dbraw/zinc/36/14/72/452361472.db2.gz AJIBAIRGLHSCPH-SLFFLAALSA-N 2 1 329.488 1.970 20 0 EDADMP O[C@@H]1CC[NH+](Cc2ccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000657594434 452361482 /nfs/dbraw/zinc/36/14/82/452361482.db2.gz AJIBAIRGLHSCPH-SLFFLAALSA-N 2 1 329.488 1.970 20 0 EDADMP C[C@H](CNC(=O)NCCN(C)CCC[NH+](C)C)[N@H+]1CCC[C@H](C)C1 ZINC000663628329 452367695 /nfs/dbraw/zinc/36/76/95/452367695.db2.gz MJRXNNLRKGUFNG-DLBZAZTESA-N 2 1 341.544 1.290 20 0 EDADMP [NH3+]C[C@]1(C(=O)N2CC[NH+](CCc3cccs3)CC2)CCCOC1 ZINC000638070225 452377792 /nfs/dbraw/zinc/37/77/92/452377792.db2.gz XBHTZBDQTFJPKF-QGZVFWFLSA-N 2 1 337.489 1.190 20 0 EDADMP CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654351587 452403174 /nfs/dbraw/zinc/40/31/74/452403174.db2.gz KGJSFTBCQBBIJC-SOUVJXGZSA-N 2 1 326.485 1.268 20 0 EDADMP CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654351587 452403183 /nfs/dbraw/zinc/40/31/83/452403183.db2.gz KGJSFTBCQBBIJC-SOUVJXGZSA-N 2 1 326.485 1.268 20 0 EDADMP CN(C(=O)NCC1([NH3+])CCCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659572004 452427878 /nfs/dbraw/zinc/42/78/78/452427878.db2.gz CVZMLDIZLYPNAM-MRXNPFEDSA-N 2 1 337.512 1.068 20 0 EDADMP CN(C(=O)NCC1([NH3+])CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659572004 452427887 /nfs/dbraw/zinc/42/78/87/452427887.db2.gz CVZMLDIZLYPNAM-MRXNPFEDSA-N 2 1 337.512 1.068 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000654387806 452441708 /nfs/dbraw/zinc/44/17/08/452441708.db2.gz CSNPLQZDXJNBEK-TWMKSMIVSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000654387806 452441714 /nfs/dbraw/zinc/44/17/14/452441714.db2.gz CSNPLQZDXJNBEK-TWMKSMIVSA-N 2 1 340.512 1.515 20 0 EDADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000645475555 452447283 /nfs/dbraw/zinc/44/72/83/452447283.db2.gz DORNKRQFSLZNAS-RHSMWYFYSA-N 2 1 334.439 1.062 20 0 EDADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000659608263 452463341 /nfs/dbraw/zinc/46/33/41/452463341.db2.gz BQUCYHGWCOAOCL-YLFCFFPRSA-N 2 1 348.491 1.023 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000652336018 452506448 /nfs/dbraw/zinc/50/64/48/452506448.db2.gz YKMYOQQGROTMTG-ZFWWWQNUSA-N 2 1 337.489 1.687 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000652336018 452506457 /nfs/dbraw/zinc/50/64/57/452506457.db2.gz YKMYOQQGROTMTG-ZFWWWQNUSA-N 2 1 337.489 1.687 20 0 EDADMP C[NH+](C)CCN1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655687408 452509863 /nfs/dbraw/zinc/50/98/63/452509863.db2.gz OAVUYTPNIXSZSP-LJQANCHMSA-N 3 1 338.540 1.245 20 0 EDADMP O=C(NCCCCC[NH+]1CCCCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654452773 452516349 /nfs/dbraw/zinc/51/63/49/452516349.db2.gz WILNDLOWUQAWDP-DLBZAZTESA-N 2 1 338.496 1.103 20 0 EDADMP c1cnc(N2CCC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)nc1 ZINC000655695479 452516468 /nfs/dbraw/zinc/51/64/68/452516468.db2.gz ZALOXGBDTZJEPP-MSOLQXFVSA-N 2 1 345.491 1.678 20 0 EDADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000663788923 452518891 /nfs/dbraw/zinc/51/88/91/452518891.db2.gz UFHJJCMOTUDODX-IRXDYDNUSA-N 2 1 340.512 1.471 20 0 EDADMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cn2)CC1 ZINC000647789748 452522760 /nfs/dbraw/zinc/52/27/60/452522760.db2.gz KMBXPXWUNLJCQJ-IPMKNSEASA-N 2 1 343.519 1.701 20 0 EDADMP COCC[N@H+]1CCC[C@H]1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655708616 452525995 /nfs/dbraw/zinc/52/59/95/452525995.db2.gz RFBRTABPEYIWPA-ROUUACIJSA-N 2 1 325.497 1.330 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3nc(CC(F)(F)F)no3)C2)C1 ZINC000652348680 452526805 /nfs/dbraw/zinc/52/68/05/452526805.db2.gz NAWDEXYUDBIMDD-QJPTWQEYSA-N 2 1 348.369 1.893 20 0 EDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3nc(CC(F)(F)F)no3)C2)C1 ZINC000652348680 452526818 /nfs/dbraw/zinc/52/68/18/452526818.db2.gz NAWDEXYUDBIMDD-QJPTWQEYSA-N 2 1 348.369 1.893 20 0 EDADMP COc1ccccc1N1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000652352150 452528642 /nfs/dbraw/zinc/52/86/42/452528642.db2.gz LWYQHARPZAYNIM-GMBSWORKSA-N 2 1 329.444 1.861 20 0 EDADMP Cc1cc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)no1 ZINC000652361644 452542477 /nfs/dbraw/zinc/54/24/77/452542477.db2.gz LMJPEWSSGDDWDW-ZNMIVQPWSA-N 2 1 336.436 1.094 20 0 EDADMP C[C@H](NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000647834903 452569414 /nfs/dbraw/zinc/56/94/14/452569414.db2.gz DPEJAKICVJLCGT-AWEZNQCLSA-N 2 1 338.883 1.354 20 0 EDADMP C[C@H](NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000647834903 452569422 /nfs/dbraw/zinc/56/94/22/452569422.db2.gz DPEJAKICVJLCGT-AWEZNQCLSA-N 2 1 338.883 1.354 20 0 EDADMP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835179 452569744 /nfs/dbraw/zinc/56/97/44/452569744.db2.gz PZSYMEVKZHVFBS-HWWITLHISA-N 2 1 348.535 1.297 20 0 EDADMP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835179 452569753 /nfs/dbraw/zinc/56/97/53/452569753.db2.gz PZSYMEVKZHVFBS-HWWITLHISA-N 2 1 348.535 1.297 20 0 EDADMP CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647834899 452570294 /nfs/dbraw/zinc/57/02/94/452570294.db2.gz DLTGRMLJXUTYAL-MRXNPFEDSA-N 2 1 332.492 1.263 20 0 EDADMP CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647834899 452570303 /nfs/dbraw/zinc/57/03/03/452570303.db2.gz DLTGRMLJXUTYAL-MRXNPFEDSA-N 2 1 332.492 1.263 20 0 EDADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@H](O)[C@H]3C)CC2)cc1 ZINC000650187933 452582655 /nfs/dbraw/zinc/58/26/55/452582655.db2.gz NGOIOIQGKXYESK-IEBWSBKVSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](O)[C@H]3C)CC2)cc1 ZINC000650187933 452582661 /nfs/dbraw/zinc/58/26/61/452582661.db2.gz NGOIOIQGKXYESK-IEBWSBKVSA-N 2 1 345.487 1.484 20 0 EDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](O)[C@H]3C)CC2)cc1 ZINC000650187933 452582671 /nfs/dbraw/zinc/58/26/71/452582671.db2.gz NGOIOIQGKXYESK-IEBWSBKVSA-N 2 1 345.487 1.484 20 0 EDADMP C[C@H](CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655907535 452664974 /nfs/dbraw/zinc/66/49/74/452664974.db2.gz KWVGQJHGMJRAIW-MCIONIFRSA-N 2 1 347.463 1.347 20 0 EDADMP C[C@H](CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655907535 452664978 /nfs/dbraw/zinc/66/49/78/452664978.db2.gz KWVGQJHGMJRAIW-MCIONIFRSA-N 2 1 347.463 1.347 20 0 EDADMP [NH3+]C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C(F)(F)F ZINC000655913228 452672546 /nfs/dbraw/zinc/67/25/46/452672546.db2.gz SRFKKKHMJLBECH-AWEZNQCLSA-N 2 1 344.381 1.794 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000661954084 452716211 /nfs/dbraw/zinc/71/62/11/452716211.db2.gz UHKMBWWUGNQICI-YESZJQIVSA-N 2 1 338.496 1.148 20 0 EDADMP Cc1cc(=O)n(C)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000666280675 452740063 /nfs/dbraw/zinc/74/00/63/452740063.db2.gz XRSSVOPKJWZRKQ-AWEZNQCLSA-N 2 1 337.468 1.087 20 0 EDADMP Cc1cc(=O)n(C)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000666280675 452740072 /nfs/dbraw/zinc/74/00/72/452740072.db2.gz XRSSVOPKJWZRKQ-AWEZNQCLSA-N 2 1 337.468 1.087 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649606 452742518 /nfs/dbraw/zinc/74/25/18/452742518.db2.gz IYUIJTHJCQQPKQ-WCXIOVBPSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649606 452742528 /nfs/dbraw/zinc/74/25/28/452742528.db2.gz IYUIJTHJCQQPKQ-WCXIOVBPSA-N 2 1 338.496 1.364 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970702 452753105 /nfs/dbraw/zinc/75/31/05/452753105.db2.gz KJFZBOPDZMTAPH-LFRCEIEQSA-N 2 1 338.496 1.255 20 0 EDADMP C[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970702 452753108 /nfs/dbraw/zinc/75/31/08/452753108.db2.gz KJFZBOPDZMTAPH-LFRCEIEQSA-N 2 1 338.496 1.255 20 0 EDADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000648018382 452755544 /nfs/dbraw/zinc/75/55/44/452755544.db2.gz KMCICEXHSUZLPL-UXHICEINSA-N 2 1 347.503 1.276 20 0 EDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC[C@@H](N2CCOCC2)C1 ZINC000648018382 452755552 /nfs/dbraw/zinc/75/55/52/452755552.db2.gz KMCICEXHSUZLPL-UXHICEINSA-N 2 1 347.503 1.276 20 0 EDADMP C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCC[C@@H](N2CCOCC2)C1 ZINC000648018382 452755562 /nfs/dbraw/zinc/75/55/62/452755562.db2.gz KMCICEXHSUZLPL-UXHICEINSA-N 2 1 347.503 1.276 20 0 EDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664077952 452773240 /nfs/dbraw/zinc/77/32/40/452773240.db2.gz VNKVTCDPGHGBBR-SJORKVTESA-N 2 1 340.512 1.613 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000654671335 452786593 /nfs/dbraw/zinc/78/65/93/452786593.db2.gz JYKCHADNKYVSNG-QGZVFWFLSA-N 2 1 341.459 1.905 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC2(COC2)C1 ZINC000662074165 452820414 /nfs/dbraw/zinc/82/04/14/452820414.db2.gz PPBJCJQBZVXJEW-AEFFLSMTSA-N 2 1 343.471 1.488 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC2(COC2)C1 ZINC000662074165 452820422 /nfs/dbraw/zinc/82/04/22/452820422.db2.gz PPBJCJQBZVXJEW-AEFFLSMTSA-N 2 1 343.471 1.488 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC2(COC2)C1 ZINC000662074165 452820432 /nfs/dbraw/zinc/82/04/32/452820432.db2.gz PPBJCJQBZVXJEW-AEFFLSMTSA-N 2 1 343.471 1.488 20 0 EDADMP C[NH+](C)CCC[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCO1 ZINC000664181816 452849413 /nfs/dbraw/zinc/84/94/13/452849413.db2.gz MIPWWTWXMDWMHC-SJORKVTESA-N 2 1 338.496 1.223 20 0 EDADMP CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000664190817 452863219 /nfs/dbraw/zinc/86/32/19/452863219.db2.gz LLIHRYWIGVWNMN-OAHLLOKOSA-N 2 1 328.501 1.374 20 0 EDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000664190817 452863225 /nfs/dbraw/zinc/86/32/25/452863225.db2.gz LLIHRYWIGVWNMN-OAHLLOKOSA-N 2 1 328.501 1.374 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664209371 452882595 /nfs/dbraw/zinc/88/25/95/452882595.db2.gz DVDQAAJHHONDGO-QGZVFWFLSA-N 2 1 349.479 1.212 20 0 EDADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664209371 452882600 /nfs/dbraw/zinc/88/26/00/452882600.db2.gz DVDQAAJHHONDGO-QGZVFWFLSA-N 2 1 349.479 1.212 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCc2c1cccc2O ZINC000664223799 452899616 /nfs/dbraw/zinc/89/96/16/452899616.db2.gz DCXWOZCKWJMRBI-WMLDXEAASA-N 2 1 348.491 1.951 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCc2c1cccc2O ZINC000664223799 452899625 /nfs/dbraw/zinc/89/96/25/452899625.db2.gz DCXWOZCKWJMRBI-WMLDXEAASA-N 2 1 348.491 1.951 20 0 EDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1C[NH2+]CCC1(F)F ZINC000644008634 452924534 /nfs/dbraw/zinc/92/45/34/452924534.db2.gz MTIPZJWSKBDXHH-CQSZACIVSA-N 2 1 345.434 1.383 20 0 EDADMP C[NH+](C)CCC[N@H+](C)CCNc1ccc2nnc(C(C)(C)C)n2n1 ZINC000664247988 452927637 /nfs/dbraw/zinc/92/76/37/452927637.db2.gz LMFJUXNNGSFPRV-UHFFFAOYSA-N 2 1 333.484 1.717 20 0 EDADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc2nnc(C(C)(C)C)n2n1 ZINC000664247988 452927647 /nfs/dbraw/zinc/92/76/47/452927647.db2.gz LMFJUXNNGSFPRV-UHFFFAOYSA-N 2 1 333.484 1.717 20 0 EDADMP Cc1nc(C[NH+]2CCC(CNC(=O)CC3(C[NH3+])CC3)CC2)oc1C ZINC000645970973 452958273 /nfs/dbraw/zinc/95/82/73/452958273.db2.gz USPRPOQTMLIBPP-UHFFFAOYSA-N 2 1 334.464 1.749 20 0 EDADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291830 453015024 /nfs/dbraw/zinc/01/50/24/453015024.db2.gz ADZIKEWQCMMTQY-UFYCRDLUSA-N 3 1 331.504 1.629 20 0 EDADMP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291830 453015030 /nfs/dbraw/zinc/01/50/30/453015030.db2.gz ADZIKEWQCMMTQY-UFYCRDLUSA-N 2 1 331.504 1.629 20 0 EDADMP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291830 453015036 /nfs/dbraw/zinc/01/50/36/453015036.db2.gz ADZIKEWQCMMTQY-UFYCRDLUSA-N 2 1 331.504 1.629 20 0 EDADMP C[C@@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662294426 453016564 /nfs/dbraw/zinc/01/65/64/453016564.db2.gz WBKMWUPEESMRNF-JSGCOSHPSA-N 2 1 333.484 1.292 20 0 EDADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662326883 453046607 /nfs/dbraw/zinc/04/66/07/453046607.db2.gz GFANPMGAOQUIBM-INIZCTEOSA-N 2 1 333.480 1.045 20 0 EDADMP c1c(C2CCN(C[C@@H]3C[NH2+]CCO3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662326883 453046612 /nfs/dbraw/zinc/04/66/12/453046612.db2.gz GFANPMGAOQUIBM-INIZCTEOSA-N 2 1 333.480 1.045 20 0 EDADMP Cc1nnc([C@H](C)[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)[nH]1 ZINC000662335918 453053894 /nfs/dbraw/zinc/05/38/94/453053894.db2.gz BAMGJDBRDHUEBU-JSGCOSHPSA-N 2 1 344.467 1.186 20 0 EDADMP Cc1nnc([C@H](C)[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)[nH]1 ZINC000662335918 453053905 /nfs/dbraw/zinc/05/39/05/453053905.db2.gz BAMGJDBRDHUEBU-JSGCOSHPSA-N 2 1 344.467 1.186 20 0 EDADMP Cc1cnn(CC[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000662338325 453056322 /nfs/dbraw/zinc/05/63/22/453056322.db2.gz QJDOKZLKXADCTA-MRXNPFEDSA-N 2 1 343.479 1.204 20 0 EDADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000662338735 453056850 /nfs/dbraw/zinc/05/68/50/453056850.db2.gz VCJYBMCHECIURG-INIZCTEOSA-N 2 1 333.480 1.425 20 0 EDADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccn2ccnc2c1 ZINC000664450798 453107323 /nfs/dbraw/zinc/10/73/23/453107323.db2.gz RIEUVPFWKCUIOM-HNNXBMFYSA-N 3 1 346.479 1.406 20 0 EDADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccn2ccnc2c1 ZINC000664450798 453107326 /nfs/dbraw/zinc/10/73/26/453107326.db2.gz RIEUVPFWKCUIOM-HNNXBMFYSA-N 3 1 346.479 1.406 20 0 EDADMP [NH3+][C@H](c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)[C@@H]1CCCO1 ZINC000656468780 453204662 /nfs/dbraw/zinc/20/46/62/453204662.db2.gz SHNVEGOQWDVPGA-YTQUADARSA-N 2 1 341.459 1.979 20 0 EDADMP CCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000660355020 453240825 /nfs/dbraw/zinc/24/08/25/453240825.db2.gz ZUVMKSLVZIFZTH-SFHVURJKSA-N 2 1 345.491 1.830 20 0 EDADMP C[C@H]1CN(C(=O)NCc2ccc(C[NH3+])cc2)CC[N@H+]1CC(C)(C)O ZINC000646229440 453242332 /nfs/dbraw/zinc/24/23/32/453242332.db2.gz ZPVVVLOTMQPGBB-AWEZNQCLSA-N 2 1 334.464 1.132 20 0 EDADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000648770712 453247458 /nfs/dbraw/zinc/24/74/58/453247458.db2.gz ZKYDMCQRADFLNC-CVEARBPZSA-N 2 1 336.480 1.966 20 0 EDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2Br)CC[NH2+]1 ZINC000662562920 453291040 /nfs/dbraw/zinc/29/10/40/453291040.db2.gz QZOISMIOZXKYHI-NRUUGDAUSA-N 2 1 326.238 1.706 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000648825068 453304279 /nfs/dbraw/zinc/30/42/79/453304279.db2.gz UHIGUDAZJDOLTP-GOEBONIOSA-N 2 1 334.464 1.766 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000648824672 453305486 /nfs/dbraw/zinc/30/54/86/453305486.db2.gz ATDVUFQWNUNUNG-HNNXBMFYSA-N 2 1 336.480 1.748 20 0 EDADMP C[C@H](C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1)[NH+]1CCCCCC1 ZINC000646321714 453318891 /nfs/dbraw/zinc/31/88/91/453318891.db2.gz OTHQLSSEPPLOQL-IAGOWNOFSA-N 2 1 337.508 1.963 20 0 EDADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662593814 453320751 /nfs/dbraw/zinc/32/07/51/453320751.db2.gz KZMYTNIRCFKVBS-HUUCEWRRSA-N 2 1 331.464 1.338 20 0 EDADMP COc1c[nH+]ccc1N1CC[NH+](CCCC(=O)NCC(C)C)CC1 ZINC000660454008 453321404 /nfs/dbraw/zinc/32/14/04/453321404.db2.gz UIESPWXKJVAVHN-UHFFFAOYSA-N 2 1 334.464 1.765 20 0 EDADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646338149 453329374 /nfs/dbraw/zinc/32/93/74/453329374.db2.gz CBVDVGARPNIOPD-KURKYZTESA-N 2 1 328.460 1.504 20 0 EDADMP NC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648868392 453342579 /nfs/dbraw/zinc/34/25/79/453342579.db2.gz IRAKEDZXKIIDFA-KRWDZBQOSA-N 2 1 347.459 1.237 20 0 EDADMP NC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648868392 453342593 /nfs/dbraw/zinc/34/25/93/453342593.db2.gz IRAKEDZXKIIDFA-KRWDZBQOSA-N 2 1 347.459 1.237 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000648871839 453347777 /nfs/dbraw/zinc/34/77/77/453347777.db2.gz FKKCPYAWABFXFP-LSDHHAIUSA-N 2 1 336.480 1.700 20 0 EDADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000648871839 453347780 /nfs/dbraw/zinc/34/77/80/453347780.db2.gz FKKCPYAWABFXFP-LSDHHAIUSA-N 2 1 336.480 1.700 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662661766 453375533 /nfs/dbraw/zinc/37/55/33/453375533.db2.gz VTEQCXFNUVJSAP-ROUUACIJSA-N 2 1 333.476 1.514 20 0 EDADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000662675313 453392500 /nfs/dbraw/zinc/39/25/00/453392500.db2.gz KYOGDOHDMUEGTH-FYGLJJOGSA-N 2 1 331.460 1.649 20 0 EDADMP C[C@@H](CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@H]1CCC[NH2+]C1 ZINC000662705745 453427964 /nfs/dbraw/zinc/42/79/64/453427964.db2.gz SSGUVPMEJWIIJD-WNRNVDISSA-N 2 1 349.519 1.772 20 0 EDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000667152867 453441751 /nfs/dbraw/zinc/44/17/51/453441751.db2.gz IJZXPKZKBHICDP-AWEZNQCLSA-N 2 1 346.475 1.507 20 0 EDADMP Cc1ccc(NCCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)[nH+]c1 ZINC000662734302 453461559 /nfs/dbraw/zinc/46/15/59/453461559.db2.gz DUJRXXAVXBJXIE-ZDUSSCGKSA-N 2 1 328.420 1.422 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662741183 453466210 /nfs/dbraw/zinc/46/62/10/453466210.db2.gz DGYMQHVOFGAXTM-FUHWJXTLSA-N 2 1 332.492 1.307 20 0 EDADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662741183 453466224 /nfs/dbraw/zinc/46/62/24/453466224.db2.gz DGYMQHVOFGAXTM-FUHWJXTLSA-N 2 1 332.492 1.307 20 0 EDADMP CCc1nnc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000664930856 453493067 /nfs/dbraw/zinc/49/30/67/453493067.db2.gz VKWSKFYUERRIRQ-LBPRGKRZSA-N 2 1 342.513 1.172 20 0 EDADMP CCc1nnc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000664930856 453493073 /nfs/dbraw/zinc/49/30/73/453493073.db2.gz VKWSKFYUERRIRQ-LBPRGKRZSA-N 2 1 342.513 1.172 20 0 EDADMP COc1cccc(COC[C@@H](O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660657555 453494031 /nfs/dbraw/zinc/49/40/31/453494031.db2.gz YBMMSLSWJUPRPI-ICSRJNTNSA-N 2 1 348.487 1.990 20 0 EDADMP COc1cccc(COC[C@@H](O)C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657555 453494038 /nfs/dbraw/zinc/49/40/38/453494038.db2.gz YBMMSLSWJUPRPI-ICSRJNTNSA-N 2 1 348.487 1.990 20 0 EDADMP COc1cccc(COC[C@@H](O)C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660657555 453494047 /nfs/dbraw/zinc/49/40/47/453494047.db2.gz YBMMSLSWJUPRPI-ICSRJNTNSA-N 2 1 348.487 1.990 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660699354 453522352 /nfs/dbraw/zinc/52/23/52/453522352.db2.gz DODCUJXUDOXFGR-MRXNPFEDSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](NC(=O)[C@@H]1CCO[C@H]1C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662804257 453539880 /nfs/dbraw/zinc/53/98/80/453539880.db2.gz PDZKZPPVLNPKQI-HPBDAGMYSA-N 2 1 331.460 1.377 20 0 EDADMP CC1(C)CC[NH2+][C@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000662816258 453547559 /nfs/dbraw/zinc/54/75/59/453547559.db2.gz NWVZMJMPUDSMOW-KRWDZBQOSA-N 2 1 344.503 1.484 20 0 EDADMP Cc1cc(C)c(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000665069755 453564185 /nfs/dbraw/zinc/56/41/85/453564185.db2.gz YZZXASJARUNVIF-INIZCTEOSA-N 2 1 335.496 1.770 20 0 EDADMP Cc1cc(C)c(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000665069755 453564189 /nfs/dbraw/zinc/56/41/89/453564189.db2.gz YZZXASJARUNVIF-INIZCTEOSA-N 2 1 335.496 1.770 20 0 EDADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662860707 453576887 /nfs/dbraw/zinc/57/68/87/453576887.db2.gz ULMWNAADZQMGRC-ZWKOTPCHSA-N 2 1 347.503 1.894 20 0 EDADMP COCC(COC)[NH+]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000660794913 453577090 /nfs/dbraw/zinc/57/70/90/453577090.db2.gz DDOVKGIJMORVNZ-IAGOWNOFSA-N 2 1 327.513 1.243 20 0 EDADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OCC)cc1 ZINC000662868282 453579923 /nfs/dbraw/zinc/57/99/23/453579923.db2.gz AYMCGUYIZDOBAQ-QZTJIDSGSA-N 2 1 333.476 1.989 20 0 EDADMP CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659038986 453593622 /nfs/dbraw/zinc/59/36/22/453593622.db2.gz XNULAEGXBCHUKZ-QGZVFWFLSA-N 2 1 332.448 1.905 20 0 EDADMP COCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660837364 453598590 /nfs/dbraw/zinc/59/85/90/453598590.db2.gz KRIWDUSGKPOUKD-HNNXBMFYSA-N 2 1 326.485 1.269 20 0 EDADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659091462 453625416 /nfs/dbraw/zinc/62/54/16/453625416.db2.gz NNMDLQVWGZMEGX-HNNXBMFYSA-N 2 1 346.475 1.581 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000660934002 453652245 /nfs/dbraw/zinc/65/22/45/453652245.db2.gz JBESKRHHZJHQCY-ARFHVFGLSA-N 2 1 326.485 1.125 20 0 EDADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000660934002 453652247 /nfs/dbraw/zinc/65/22/47/453652247.db2.gz JBESKRHHZJHQCY-ARFHVFGLSA-N 2 1 326.485 1.125 20 0 EDADMP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000659288828 453704400 /nfs/dbraw/zinc/70/44/00/453704400.db2.gz SQRXITZVLQRSIK-SZMVWBNQSA-N 2 1 333.476 1.766 20 0 EDADMP CC1(C)[NH2+]CC[C@@H]1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659319767 453714729 /nfs/dbraw/zinc/71/47/29/453714729.db2.gz WJKMZPQWPCEELN-VIFPVBQESA-N 2 1 344.278 1.984 20 0 EDADMP CN(Cc1cnc[nH]1)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000661192462 453752934 /nfs/dbraw/zinc/75/29/34/453752934.db2.gz ZKDAMXXUPKJQOO-UHFFFAOYSA-N 2 1 346.435 1.477 20 0 EDADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657345944 453770311 /nfs/dbraw/zinc/77/03/11/453770311.db2.gz BJQHCFZRFAOBKD-UHFFFAOYSA-N 2 1 345.365 1.681 20 0 EDADMP C[NH+](C)CCCNC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663408676 453791411 /nfs/dbraw/zinc/79/14/11/453791411.db2.gz GKGIXCKXRUKWQG-SFHVURJKSA-N 2 1 347.507 1.054 20 0 EDADMP C[NH+](C)CCCNC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663408676 453791413 /nfs/dbraw/zinc/79/14/13/453791413.db2.gz GKGIXCKXRUKWQG-SFHVURJKSA-N 2 1 347.507 1.054 20 0 EDADMP C[NH2+]C[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000663509792 453812991 /nfs/dbraw/zinc/81/29/91/453812991.db2.gz MEPUHFPNMALKDI-CYBMUJFWSA-N 2 1 341.477 1.046 20 0 EDADMP C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000382763474 486695709 /nfs/dbraw/zinc/69/57/09/486695709.db2.gz OJGKXJVAZVXOEV-QGZVFWFLSA-N 2 1 330.476 1.015 20 0 EDADMP C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676306431 486729539 /nfs/dbraw/zinc/72/95/39/486729539.db2.gz UQKDNVSMUNTCRK-WBVHZDCISA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676306431 486729543 /nfs/dbraw/zinc/72/95/43/486729543.db2.gz UQKDNVSMUNTCRK-WBVHZDCISA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](NC(=O)N1CCC[NH+](C2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676306431 486729551 /nfs/dbraw/zinc/72/95/51/486729551.db2.gz UQKDNVSMUNTCRK-WBVHZDCISA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](NC(=O)N1CCC[NH+](C2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676306431 486729557 /nfs/dbraw/zinc/72/95/57/486729557.db2.gz UQKDNVSMUNTCRK-WBVHZDCISA-N 2 1 338.496 1.365 20 0 EDADMP C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676332322 486737269 /nfs/dbraw/zinc/73/72/69/486737269.db2.gz LLTGRKGFMYXZJV-APWZRJJASA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676332322 486737273 /nfs/dbraw/zinc/73/72/73/486737273.db2.gz LLTGRKGFMYXZJV-APWZRJJASA-N 2 1 345.487 1.734 20 0 EDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000672882614 486829871 /nfs/dbraw/zinc/82/98/71/486829871.db2.gz WAASNWKKCWRFMB-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672882614 486829876 /nfs/dbraw/zinc/82/98/76/486829876.db2.gz WAASNWKKCWRFMB-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672882614 486829884 /nfs/dbraw/zinc/82/98/84/486829884.db2.gz WAASNWKKCWRFMB-MRXNPFEDSA-N 2 1 340.512 1.349 20 0 EDADMP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000683943668 486876294 /nfs/dbraw/zinc/87/62/94/486876294.db2.gz IJYMSXYZKOINQT-MRXNPFEDSA-N 2 1 337.489 1.511 20 0 EDADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)CN3CC[NH+](C)CC3)cccc21 ZINC000684089737 486940327 /nfs/dbraw/zinc/94/03/27/486940327.db2.gz QHFRWIVCGJKIPO-MRXNPFEDSA-N 2 1 332.448 1.258 20 0 EDADMP CN(C(=O)c1nc2c(s1)CCC2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000667954399 487031002 /nfs/dbraw/zinc/03/10/02/487031002.db2.gz BJHPEVOGTXYZRK-AWEZNQCLSA-N 2 1 348.516 1.872 20 0 EDADMP CN(C(=O)c1nc2c(s1)CCC2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000667954399 487031008 /nfs/dbraw/zinc/03/10/08/487031008.db2.gz BJHPEVOGTXYZRK-AWEZNQCLSA-N 2 1 348.516 1.872 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cn1 ZINC000673869950 487140711 /nfs/dbraw/zinc/14/07/11/487140711.db2.gz GYEVLTFFKUKEMX-UHFFFAOYSA-N 2 1 348.495 1.927 20 0 EDADMP O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684967722 487202790 /nfs/dbraw/zinc/20/27/90/487202790.db2.gz ULBOKOIUQLAWQI-RTBURBONSA-N 2 1 343.471 1.872 20 0 EDADMP C[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1CC(C)(C)O ZINC000682167512 487312586 /nfs/dbraw/zinc/31/25/86/487312586.db2.gz HAXSAJHFDGFXLH-QGZVFWFLSA-N 2 1 349.519 1.904 20 0 EDADMP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)C2 ZINC000685841483 487332268 /nfs/dbraw/zinc/33/22/68/487332268.db2.gz CRXKBDHRIFPLTM-HXUWFJFHSA-N 2 1 329.488 1.398 20 0 EDADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)CN1CC[NH+](C)CC1)[NH+](C)C ZINC000682366558 487354580 /nfs/dbraw/zinc/35/45/80/487354580.db2.gz NHAOWMICJNTJFU-APWZRJJASA-N 2 1 332.492 1.350 20 0 EDADMP CCCN(CCC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000682444414 487365099 /nfs/dbraw/zinc/36/50/99/487365099.db2.gz SDHFSBYIJGHCDD-UHFFFAOYSA-N 2 1 341.544 1.386 20 0 EDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000675177531 487385458 /nfs/dbraw/zinc/38/54/58/487385458.db2.gz UHODRHOKXLQCIR-IRXDYDNUSA-N 2 1 340.512 1.517 20 0 EDADMP CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccn1 ZINC000675330344 487399193 /nfs/dbraw/zinc/39/91/93/487399193.db2.gz KEDGGJILVWASRA-MRXNPFEDSA-N 2 1 346.475 1.767 20 0 EDADMP Cc1ccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)c(N2CCCC2)[nH+]1 ZINC000669555928 485557317 /nfs/dbraw/zinc/55/73/17/485557317.db2.gz ORMRKBWODLTFFY-HNNXBMFYSA-N 2 1 331.464 1.789 20 0 EDADMP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000669555843 485557619 /nfs/dbraw/zinc/55/76/19/485557619.db2.gz JQFHCTBCDYGVBR-MRXNPFEDSA-N 2 1 331.464 1.884 20 0 EDADMP Cc1ccc(CNC(=O)NCC2CC[NH2+]CC2)c(N2CCCC2)[nH+]1 ZINC000669555726 485558135 /nfs/dbraw/zinc/55/81/35/485558135.db2.gz CPIUTOJLBDNQCP-UHFFFAOYSA-N 2 1 331.464 1.789 20 0 EDADMP [NH3+]CCCNC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000669557206 485561019 /nfs/dbraw/zinc/56/10/19/485561019.db2.gz YJKWRPKZNIHIGI-OKZBNKHCSA-N 2 1 330.476 1.935 20 0 EDADMP CC[C@@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000669021251 485568171 /nfs/dbraw/zinc/56/81/71/485568171.db2.gz MDNKXXZERWDIBR-PMPSAXMXSA-N 2 1 326.485 1.112 20 0 EDADMP Cc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc(=O)n2c1 ZINC000324633147 485580733 /nfs/dbraw/zinc/58/07/33/485580733.db2.gz RNJQAXPWBILOJU-NVXWUHKLSA-N 2 1 326.444 1.967 20 0 EDADMP Cc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc(=O)n2c1 ZINC000324633147 485580738 /nfs/dbraw/zinc/58/07/38/485580738.db2.gz RNJQAXPWBILOJU-NVXWUHKLSA-N 2 1 326.444 1.967 20 0 EDADMP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)C(C)C ZINC000668347662 485614353 /nfs/dbraw/zinc/61/43/53/485614353.db2.gz BCOOQOIXTHRGJC-HNNXBMFYSA-N 2 1 340.512 1.210 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848033 485692699 /nfs/dbraw/zinc/69/26/99/485692699.db2.gz YOFSVMORYAUZBQ-AWEZNQCLSA-N 2 1 347.463 1.607 20 0 EDADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848033 485692706 /nfs/dbraw/zinc/69/27/06/485692706.db2.gz YOFSVMORYAUZBQ-AWEZNQCLSA-N 2 1 347.463 1.607 20 0 EDADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000673770733 485722241 /nfs/dbraw/zinc/72/22/41/485722241.db2.gz DNWIRFLHTWPFPA-CVEARBPZSA-N 2 1 326.485 1.223 20 0 EDADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)C(C)(C)C[NH+](C)C ZINC000669146745 485736531 /nfs/dbraw/zinc/73/65/31/485736531.db2.gz ZCDJDUNZYYUESW-UONOGXRCSA-N 2 1 340.512 1.068 20 0 EDADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000668436820 485748710 /nfs/dbraw/zinc/74/87/10/485748710.db2.gz OYOGCNYNEGTJRD-MOPGFXCFSA-N 2 1 345.487 1.703 20 0 EDADMP c1cc(C[N@@H+](CCN2CCOCC2)CC2CC2)n(-c2cc[nH+]cc2)n1 ZINC000668682098 486038054 /nfs/dbraw/zinc/03/80/54/486038054.db2.gz WUBLWHUSVZAPKI-UHFFFAOYSA-N 2 1 341.459 1.812 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000516175596 486062142 /nfs/dbraw/zinc/06/21/42/486062142.db2.gz QKIVEQSZYALPDA-KURKYZTESA-N 2 1 334.460 1.789 20 0 EDADMP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000516175596 486062148 /nfs/dbraw/zinc/06/21/48/486062148.db2.gz QKIVEQSZYALPDA-KURKYZTESA-N 2 1 334.460 1.789 20 0 EDADMP O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668716006 486081439 /nfs/dbraw/zinc/08/14/39/486081439.db2.gz QDDHKVAAOPCRII-OAHLLOKOSA-N 2 1 325.416 1.712 20 0 EDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433391773 486094740 /nfs/dbraw/zinc/09/47/40/486094740.db2.gz XEQLGXORSSIULX-ZMSDIMECSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433391773 486094748 /nfs/dbraw/zinc/09/47/48/486094748.db2.gz XEQLGXORSSIULX-ZMSDIMECSA-N 2 1 338.496 1.269 20 0 EDADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433391773 486094753 /nfs/dbraw/zinc/09/47/53/486094753.db2.gz XEQLGXORSSIULX-ZMSDIMECSA-N 2 1 338.496 1.269 20 0 EDADMP CC1([NH3+])CCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000668750012 486149479 /nfs/dbraw/zinc/14/94/79/486149479.db2.gz CQGXGMJEBFMWDS-UHFFFAOYSA-N 2 1 346.475 1.542 20 0 EDADMP O=C(c1ccc2c[nH+]cn2c1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000670778199 486175836 /nfs/dbraw/zinc/17/58/36/486175836.db2.gz JJTASXFAQOADJA-KRWDZBQOSA-N 2 1 328.416 1.661 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)CN1CCC(CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000570584373 486205059 /nfs/dbraw/zinc/20/50/59/486205059.db2.gz NAVSGWSMGWATEM-ZIFCJYIRSA-N 2 1 341.540 1.510 20 0 EDADMP CC[NH+](C)C[C@@H](O)CN1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000570584373 486205064 /nfs/dbraw/zinc/20/50/64/486205064.db2.gz NAVSGWSMGWATEM-ZIFCJYIRSA-N 2 1 341.540 1.510 20 0 EDADMP CC[NH+](C)C[C@@H](O)CN1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000570584373 486205069 /nfs/dbraw/zinc/20/50/69/486205069.db2.gz NAVSGWSMGWATEM-ZIFCJYIRSA-N 2 1 341.540 1.510 20 0 EDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000570584373 486205075 /nfs/dbraw/zinc/20/50/75/486205075.db2.gz NAVSGWSMGWATEM-ZIFCJYIRSA-N 3 1 341.540 1.510 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000570584373 486205078 /nfs/dbraw/zinc/20/50/78/486205078.db2.gz NAVSGWSMGWATEM-ZIFCJYIRSA-N 3 1 341.540 1.510 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000570584373 486205084 /nfs/dbraw/zinc/20/50/84/486205084.db2.gz NAVSGWSMGWATEM-ZIFCJYIRSA-N 3 1 341.540 1.510 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000570584373 486205087 /nfs/dbraw/zinc/20/50/87/486205087.db2.gz NAVSGWSMGWATEM-ZIFCJYIRSA-N 3 1 341.540 1.510 20 0 EDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCC(C)([NH3+])CC2)[C@H](C)C1 ZINC000669486264 486252955 /nfs/dbraw/zinc/25/29/55/486252955.db2.gz OCANGOKYRNITTQ-HZPDHXFCSA-N 2 1 340.512 1.646 20 0 EDADMP O=C(C[N@@H+]1CC[C@](O)(C2CC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000489246428 486573779 /nfs/dbraw/zinc/57/37/79/486573779.db2.gz BRTNMMFLJQSOMA-HXUWFJFHSA-N 2 1 343.471 1.178 20 0 EDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496433227 486620341 /nfs/dbraw/zinc/62/03/41/486620341.db2.gz JGABEJCVMVSPRF-HZPDHXFCSA-N 2 1 343.512 1.926 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496433227 486620343 /nfs/dbraw/zinc/62/03/43/486620343.db2.gz JGABEJCVMVSPRF-HZPDHXFCSA-N 2 1 343.512 1.926 20 0 EDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496433227 486620345 /nfs/dbraw/zinc/62/03/45/486620345.db2.gz JGABEJCVMVSPRF-HZPDHXFCSA-N 2 1 343.512 1.926 20 0 EDADMP C[C@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000132988421 491218757 /nfs/dbraw/zinc/21/87/57/491218757.db2.gz ABZVOWPBWGOLRP-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000132988421 491218760 /nfs/dbraw/zinc/21/87/60/491218760.db2.gz ABZVOWPBWGOLRP-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+](C)Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000132988421 491218765 /nfs/dbraw/zinc/21/87/65/491218765.db2.gz ABZVOWPBWGOLRP-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+](C)Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000132988421 491218768 /nfs/dbraw/zinc/21/87/68/491218768.db2.gz ABZVOWPBWGOLRP-FUHWJXTLSA-N 2 1 348.491 1.527 20 0 EDADMP C[C@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000133000977 491218929 /nfs/dbraw/zinc/21/89/29/491218929.db2.gz GZXKTKRIKWIJFR-DOTOQJQBSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000133000977 491218930 /nfs/dbraw/zinc/21/89/30/491218930.db2.gz GZXKTKRIKWIJFR-DOTOQJQBSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000133000977 491218932 /nfs/dbraw/zinc/21/89/32/491218932.db2.gz GZXKTKRIKWIJFR-DOTOQJQBSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000133000977 491218934 /nfs/dbraw/zinc/21/89/34/491218934.db2.gz GZXKTKRIKWIJFR-DOTOQJQBSA-N 2 1 340.512 1.659 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000305694238 491243866 /nfs/dbraw/zinc/24/38/66/491243866.db2.gz BRBXAVQTXQLBPC-MNEFBYGVSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@H](O)C1CC1 ZINC000305694238 491243868 /nfs/dbraw/zinc/24/38/68/491243868.db2.gz BRBXAVQTXQLBPC-MNEFBYGVSA-N 2 1 345.487 1.468 20 0 EDADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@H](O)C1CC1 ZINC000305694238 491243869 /nfs/dbraw/zinc/24/38/69/491243869.db2.gz BRBXAVQTXQLBPC-MNEFBYGVSA-N 2 1 345.487 1.468 20 0 EDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000120898269 490998534 /nfs/dbraw/zinc/99/85/34/490998534.db2.gz QVWJCRAPTNHVNY-GDBMZVCRSA-N 2 1 336.484 1.639 20 0 EDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC/C=C\C[NH3+] ZINC000669495489 490998650 /nfs/dbraw/zinc/99/86/50/490998650.db2.gz UTKPGJULOWJPTB-KJPDOMRESA-N 2 1 331.464 1.011 20 0 EDADMP C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000128841481 491017788 /nfs/dbraw/zinc/01/77/88/491017788.db2.gz ZMHPDWGZWYCTKD-PMPSAXMXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000128841481 491017789 /nfs/dbraw/zinc/01/77/89/491017789.db2.gz ZMHPDWGZWYCTKD-PMPSAXMXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1CCCC[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000128841481 491017790 /nfs/dbraw/zinc/01/77/90/491017790.db2.gz ZMHPDWGZWYCTKD-PMPSAXMXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@H](NC(=O)NCCC[NH+]1CCCC[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000128841481 491017791 /nfs/dbraw/zinc/01/77/91/491017791.db2.gz ZMHPDWGZWYCTKD-PMPSAXMXSA-N 2 1 326.485 1.269 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C[NH+]1CCCC1 ZINC000131709806 534024969 /nfs/dbraw/zinc/02/49/69/534024969.db2.gz YGSMMBIEEUYAGH-PKOBYXMFSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C[NH+]1CCCC1 ZINC000131709806 534024977 /nfs/dbraw/zinc/02/49/77/534024977.db2.gz YGSMMBIEEUYAGH-PKOBYXMFSA-N 2 1 345.487 1.736 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000174728179 534106095 /nfs/dbraw/zinc/10/60/95/534106095.db2.gz VJYPQTHAGGYMRQ-MAUKXSAKSA-N 2 1 331.460 1.659 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000174728179 534106098 /nfs/dbraw/zinc/10/60/98/534106098.db2.gz VJYPQTHAGGYMRQ-MAUKXSAKSA-N 2 1 331.460 1.659 20 0 EDADMP CC(=O)NCCC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352714677 534380815 /nfs/dbraw/zinc/38/08/15/534380815.db2.gz MNZVGQJTXDXBJX-UHFFFAOYSA-N 2 1 332.492 1.262 20 0 EDADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000363366290 521703905 /nfs/dbraw/zinc/70/39/05/521703905.db2.gz BNSYAKMHMKRFJV-OAHLLOKOSA-N 2 1 325.478 1.359 20 0 EDADMP CC[N@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000363366290 521703909 /nfs/dbraw/zinc/70/39/09/521703909.db2.gz BNSYAKMHMKRFJV-OAHLLOKOSA-N 2 1 325.478 1.359 20 0 EDADMP CC(C)Cn1cc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000346998500 534897409 /nfs/dbraw/zinc/89/74/09/534897409.db2.gz DBKOOUPYSRRQBH-KRWDZBQOSA-N 2 1 333.480 1.183 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000237346949 536462003 /nfs/dbraw/zinc/46/20/03/536462003.db2.gz PNCFPPKKFUZYKT-DZGCQCFKSA-N 2 1 335.448 1.250 20 0 EDADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000237346949 536462004 /nfs/dbraw/zinc/46/20/04/536462004.db2.gz PNCFPPKKFUZYKT-DZGCQCFKSA-N 2 1 335.448 1.250 20 0 EDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C)C1 ZINC000178500295 527802881 /nfs/dbraw/zinc/80/28/81/527802881.db2.gz OZZIQSBIYGPWEK-RHSMWYFYSA-N 2 1 339.505 1.757 20 0 EDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C)C1 ZINC000178500295 527802884 /nfs/dbraw/zinc/80/28/84/527802884.db2.gz OZZIQSBIYGPWEK-RHSMWYFYSA-N 2 1 339.505 1.757 20 0 EDADMP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2CSC[NH2+]2)cc1 ZINC000164815599 528152489 /nfs/dbraw/zinc/15/24/89/528152489.db2.gz RJNCMOVUBZOFCN-INIZCTEOSA-N 2 1 337.489 1.686 20 0 EDADMP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000154903798 528803805 /nfs/dbraw/zinc/80/38/05/528803805.db2.gz OTWJCHQXWDATDD-GOEBONIOSA-N 2 1 331.526 1.511 20 0 EDADMP CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000262287683 535297737 /nfs/dbraw/zinc/29/77/37/535297737.db2.gz VQQMMQTVVMLEMB-GOSISDBHSA-N 2 1 345.487 1.913 20 0 EDADMP CC[NH+]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000079506140 535624026 /nfs/dbraw/zinc/62/40/26/535624026.db2.gz QGRMLUZZLDEUSP-UHFFFAOYSA-N 2 1 340.537 1.695 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000262664585 535848850 /nfs/dbraw/zinc/84/88/50/535848850.db2.gz OXYIJFZSRASOCV-APHBMKBZSA-N 2 1 332.448 1.448 20 0 EDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000262664585 535848856 /nfs/dbraw/zinc/84/88/56/535848856.db2.gz OXYIJFZSRASOCV-APHBMKBZSA-N 2 1 332.448 1.448 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)C[N@H+](C)Cc2ccccc2)ccc1=O ZINC000339533362 535933537 /nfs/dbraw/zinc/93/35/37/535933537.db2.gz SCMBJQWCSZBNOT-UHFFFAOYSA-N 2 1 342.443 1.480 20 0 EDADMP C[NH+](C)CCn1cc(NC(=O)C[N@@H+](C)Cc2ccccc2)ccc1=O ZINC000339533362 535933542 /nfs/dbraw/zinc/93/35/42/535933542.db2.gz SCMBJQWCSZBNOT-UHFFFAOYSA-N 2 1 342.443 1.480 20 0 EDADMP C[NH+](C)Cc1cnc(CN2CCN(CC[NH+]3CCCC3)CC2)s1 ZINC000347690274 536056000 /nfs/dbraw/zinc/05/60/00/536056000.db2.gz XFVRHHACCXMVEO-UHFFFAOYSA-N 2 1 337.537 1.418 20 0 EDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000347991534 536179964 /nfs/dbraw/zinc/17/99/64/536179964.db2.gz MWZHYDDOKZMGAS-KSZLIROESA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000347991534 536179969 /nfs/dbraw/zinc/17/99/69/536179969.db2.gz MWZHYDDOKZMGAS-KSZLIROESA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000347991534 536179973 /nfs/dbraw/zinc/17/99/73/536179973.db2.gz MWZHYDDOKZMGAS-KSZLIROESA-N 2 1 334.508 1.987 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cn2)CC1 ZINC000092043443 536425357 /nfs/dbraw/zinc/42/53/57/536425357.db2.gz VDLZKZXMLGKWKU-QZTJIDSGSA-N 2 1 344.507 1.145 20 0 EDADMP C[NH+]1CCN(c2ncc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cn2)CC1 ZINC000092043443 536425359 /nfs/dbraw/zinc/42/53/59/536425359.db2.gz VDLZKZXMLGKWKU-QZTJIDSGSA-N 2 1 344.507 1.145 20 0 EDADMP CO[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262899238 536560462 /nfs/dbraw/zinc/56/04/62/536560462.db2.gz PITCDUWHQHRJIE-SZMVWBNQSA-N 2 1 333.476 1.862 20 0 EDADMP CCc1nc2ccccc2n1CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000725897064 578301847 /nfs/dbraw/zinc/30/18/47/578301847.db2.gz QCJDIQHGOVSGBB-CABCVRRESA-N 2 1 342.443 1.578 20 0 EDADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000738089493 578541173 /nfs/dbraw/zinc/54/11/73/578541173.db2.gz KOSSPOMNFUQOFD-CALCHBBNSA-N 2 1 333.476 1.947 20 0 EDADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000738089493 578541174 /nfs/dbraw/zinc/54/11/74/578541174.db2.gz KOSSPOMNFUQOFD-CALCHBBNSA-N 2 1 333.476 1.947 20 0 EDADMP CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000733029894 578739252 /nfs/dbraw/zinc/73/92/52/578739252.db2.gz LPTFGOGGUSAKPB-JKSUJKDBSA-N 2 1 325.497 1.317 20 0 EDADMP CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000733029894 578739253 /nfs/dbraw/zinc/73/92/53/578739253.db2.gz LPTFGOGGUSAKPB-JKSUJKDBSA-N 2 1 325.497 1.317 20 0 EDADMP COc1ccc(COC[C@H](O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000735870599 578934546 /nfs/dbraw/zinc/93/45/46/578934546.db2.gz MVTHMWSWKYVLIQ-QZTJIDSGSA-N 2 1 336.476 1.846 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000735870599 578934547 /nfs/dbraw/zinc/93/45/47/578934547.db2.gz MVTHMWSWKYVLIQ-QZTJIDSGSA-N 2 1 336.476 1.846 20 0 EDADMP COc1ccc(COC[C@H](O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000735870599 578934548 /nfs/dbraw/zinc/93/45/48/578934548.db2.gz MVTHMWSWKYVLIQ-QZTJIDSGSA-N 2 1 336.476 1.846 20 0 EDADMP Cc1cc(C)c(-c2nn[nH]n2)c(N2CCC([N@H+](C)CCCO)CC2)[nH+]1 ZINC000737243837 579059084 /nfs/dbraw/zinc/05/90/84/579059084.db2.gz BMHINTBWYVPGRY-UHFFFAOYSA-N 2 1 345.451 1.162 20 0 EDADMP Cc1cc(C)c(-c2nn[nH]n2)c(N2CCC([N@@H+](C)CCCO)CC2)[nH+]1 ZINC000737243837 579059085 /nfs/dbraw/zinc/05/90/85/579059085.db2.gz BMHINTBWYVPGRY-UHFFFAOYSA-N 2 1 345.451 1.162 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000745688437 579557781 /nfs/dbraw/zinc/55/77/81/579557781.db2.gz QLMHZEZARJOSOJ-CJNGLKHVSA-N 2 1 342.447 1.858 20 0 EDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000745688437 579557783 /nfs/dbraw/zinc/55/77/83/579557783.db2.gz QLMHZEZARJOSOJ-CJNGLKHVSA-N 2 1 342.447 1.858 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=S)NCC[NH+](C)C ZINC000749829012 579741443 /nfs/dbraw/zinc/74/14/43/579741443.db2.gz KQWTVBGLINDFDT-NVXWUHKLSA-N 2 1 334.533 1.923 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000750287173 579758412 /nfs/dbraw/zinc/75/84/12/579758412.db2.gz AFAXKMBLUSOBNT-HOTGVXAUSA-N 2 1 341.496 1.680 20 0 EDADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000750287173 579758414 /nfs/dbraw/zinc/75/84/14/579758414.db2.gz AFAXKMBLUSOBNT-HOTGVXAUSA-N 2 1 341.496 1.680 20 0 EDADMP CC[NH+](CC)[C@@H](CNC(=O)CC[NH+]1CCOCC1)c1ccccc1 ZINC000750851249 579783677 /nfs/dbraw/zinc/78/36/77/579783677.db2.gz QVVZFCRZKHCHTR-SFHVURJKSA-N 2 1 333.476 1.908 20 0 EDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000753919777 579891101 /nfs/dbraw/zinc/89/11/01/579891101.db2.gz WDZHYGPYSVDTEQ-FUHWJXTLSA-N 2 1 331.460 1.660 20 0 EDADMP C[C@H]1C[N@H+](Cc2ccnc(N(C)C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000754080930 579895844 /nfs/dbraw/zinc/89/58/44/579895844.db2.gz FYWUIFSPNFEJOV-WMZOPIPTSA-N 2 1 331.508 1.605 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000754080930 579895845 /nfs/dbraw/zinc/89/58/45/579895845.db2.gz FYWUIFSPNFEJOV-WMZOPIPTSA-N 2 1 331.508 1.605 20 0 EDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2CC(C(=O)OC)=C(C)O2)C1 ZINC000778220349 580459021 /nfs/dbraw/zinc/45/90/21/580459021.db2.gz DVHZFYFDMBNBDB-CVEARBPZSA-N 2 1 340.464 1.655 20 0 EDADMP C[N@H+]1CC[C@@H](NC(=S)NC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000758271889 579978777 /nfs/dbraw/zinc/97/87/77/579978777.db2.gz HNOKLGICQIOMLE-SJORKVTESA-N 2 1 332.517 1.990 20 0 EDADMP CCC(CC)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000762974033 580089013 /nfs/dbraw/zinc/08/90/13/580089013.db2.gz SPNANSRPRYTLSN-MRXNPFEDSA-N 2 1 325.497 1.724 20 0 EDADMP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H]3CC4(CC4)C(=O)O3)CC2)CC1 ZINC000763730007 580105265 /nfs/dbraw/zinc/10/52/65/580105265.db2.gz BCMWOXBEBPYBRT-QGZVFWFLSA-N 2 1 335.492 1.573 20 0 EDADMP O=C(NCCCCCCC[NH+]1CCCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000763987908 580109931 /nfs/dbraw/zinc/10/99/31/580109931.db2.gz NEIWOLZEXBATPJ-GOSISDBHSA-N 2 1 336.524 1.539 20 0 EDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NCc1ccon1 ZINC000764461611 580120752 /nfs/dbraw/zinc/12/07/52/580120752.db2.gz FYRYBTSOTBKGJE-HNNXBMFYSA-N 2 1 339.509 1.397 20 0 EDADMP CC(C)[NH+]1CCC([NH2+]CCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000765281657 580139286 /nfs/dbraw/zinc/13/92/86/580139286.db2.gz VKOHVJXRQFTWMV-UHFFFAOYSA-N 2 1 339.505 1.568 20 0 EDADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000765964386 580155161 /nfs/dbraw/zinc/15/51/61/580155161.db2.gz MYQBLYXBWCKZEI-KRWDZBQOSA-N 2 1 329.444 1.636 20 0 EDADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000775386979 580389975 /nfs/dbraw/zinc/38/99/75/580389975.db2.gz UZNFWBQBVZZGQA-PMPSAXMXSA-N 2 1 329.579 1.983 20 0 EDADMP CC[N@@H+](CCC1CC[NH+](CN2CC(=O)N(C)C2=O)CC1)CC(C)C ZINC000776199417 580411020 /nfs/dbraw/zinc/41/10/20/580411020.db2.gz DEMMLADCVIDKOB-UHFFFAOYSA-N 2 1 338.496 1.918 20 0 EDADMP CCN1CCN(C(=O)[C@@H](C)OC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000783783572 580606257 /nfs/dbraw/zinc/60/62/57/580606257.db2.gz MRSAZEHKTNWOFQ-JKSUJKDBSA-N 2 1 339.480 1.347 20 0 EDADMP O=C1O[C@]2(CN1C[N@@H+]1CC[C@@]3(C1)CCCOC3)C[NH+]1CCC2CC1 ZINC000789545457 580749084 /nfs/dbraw/zinc/74/90/84/580749084.db2.gz LRQPZBACXSXRIK-MSOLQXFVSA-N 2 1 335.448 1.363 20 0 EDADMP O=C1O[C@]2(CN1C[N@H+]1CC[C@@]3(C1)CCCOC3)C[NH+]1CCC2CC1 ZINC000789545457 580749085 /nfs/dbraw/zinc/74/90/85/580749085.db2.gz LRQPZBACXSXRIK-MSOLQXFVSA-N 2 1 335.448 1.363 20 0 EDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891910986 590681836 /nfs/dbraw/zinc/68/18/36/590681836.db2.gz XEBSNQUQYQXPAE-XQQFMLRXSA-N 2 1 338.418 1.885 20 0 EDADMP [NH3+][C@@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000892050961 590772277 /nfs/dbraw/zinc/77/22/77/590772277.db2.gz JSGXFEYBCYFLLH-OTWHNJEPSA-N 2 1 342.487 1.887 20 0 EDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC1=CC[NH2+]CC1 ZINC000892066113 590780872 /nfs/dbraw/zinc/78/08/72/590780872.db2.gz YOMQLCSHXVGJQF-VQIMIIECSA-N 2 1 342.487 1.973 20 0 EDADMP C[N@H+]1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CCC1(C)C ZINC000892118516 590809638 /nfs/dbraw/zinc/80/96/38/590809638.db2.gz HARYZCPQSGZTJV-QGZVFWFLSA-N 2 1 330.476 1.999 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)CC[C@H]21 ZINC000892119120 590809805 /nfs/dbraw/zinc/80/98/05/590809805.db2.gz MQJGOUCUTMFZNT-BPQIPLTHSA-N 2 1 328.460 1.609 20 0 EDADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CC[C@H]21 ZINC000892190274 590856125 /nfs/dbraw/zinc/85/61/25/590856125.db2.gz XSPWRIXNDQIZHM-NYPUBOTESA-N 2 1 346.519 1.876 20 0 EDADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000893432239 590867345 /nfs/dbraw/zinc/86/73/45/590867345.db2.gz VBARNKMBAQKXFG-OAHLLOKOSA-N 2 1 336.455 1.899 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000893432239 590867349 /nfs/dbraw/zinc/86/73/49/590867349.db2.gz VBARNKMBAQKXFG-OAHLLOKOSA-N 2 1 336.455 1.899 20 0 EDADMP C[C@@H]1CC[NH+](CCNC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000893432239 590867351 /nfs/dbraw/zinc/86/73/51/590867351.db2.gz VBARNKMBAQKXFG-OAHLLOKOSA-N 2 1 336.455 1.899 20 0 EDADMP CC1(C)OC[C@H](C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)O1 ZINC000893488335 590904905 /nfs/dbraw/zinc/90/49/05/590904905.db2.gz SSBJQKLIQJJNPC-MSOLQXFVSA-N 2 1 334.460 1.884 20 0 EDADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892382884 591003352 /nfs/dbraw/zinc/00/33/52/591003352.db2.gz BWXYAJYGODUEBF-MRXNPFEDSA-N 2 1 341.544 1.290 20 0 EDADMP CN(CCCN(C)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)CC[NH+](C)C ZINC000892382884 591003355 /nfs/dbraw/zinc/00/33/55/591003355.db2.gz BWXYAJYGODUEBF-MRXNPFEDSA-N 2 1 341.544 1.290 20 0 EDADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000892401097 591012494 /nfs/dbraw/zinc/01/24/94/591012494.db2.gz YUZOEHWREAADIM-ROUUACIJSA-N 2 1 332.492 1.930 20 0 EDADMP C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000891360246 591059567 /nfs/dbraw/zinc/05/95/67/591059567.db2.gz HUIFGEVQBHYNSA-YESZJQIVSA-N 2 1 345.491 1.234 20 0 EDADMP COCCC1(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000891416199 591071525 /nfs/dbraw/zinc/07/15/25/591071525.db2.gz PAGBXMQCLQNHLT-JKSUJKDBSA-N 2 1 340.512 1.565 20 0 EDADMP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000893876985 591125373 /nfs/dbraw/zinc/12/53/73/591125373.db2.gz DHGCYDXXIQLEOY-MHORFTMASA-N 2 1 328.460 1.635 20 0 EDADMP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000892687844 591130583 /nfs/dbraw/zinc/13/05/83/591130583.db2.gz YFPBSRNKMFPJGL-IAGOWNOFSA-N 2 1 338.496 1.365 20 0 EDADMP C[C@H]1CCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000891698576 591189853 /nfs/dbraw/zinc/18/98/53/591189853.db2.gz HIAONCMUFVVOAH-ARFHVFGLSA-N 2 1 340.512 1.658 20 0 EDADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000891698576 591189854 /nfs/dbraw/zinc/18/98/54/591189854.db2.gz HIAONCMUFVVOAH-ARFHVFGLSA-N 2 1 340.512 1.658 20 0 EDADMP COC1CC[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000892883779 591216192 /nfs/dbraw/zinc/21/61/92/591216192.db2.gz GEQBPDARUURSSC-HNNXBMFYSA-N 2 1 340.512 1.611 20 0 EDADMP C[NH+](C)CCOCCNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000894367279 591291680 /nfs/dbraw/zinc/29/16/80/591291680.db2.gz RRCWAUZIFDNJRA-MSOLQXFVSA-N 2 1 348.491 1.209 20 0 EDADMP CC[NH+]1CCN(CCC[NH2+]Cc2ncc(C(=O)OC)s2)CC1 ZINC000894383613 591297101 /nfs/dbraw/zinc/29/71/01/591297101.db2.gz GMBOUQQYVFSCQC-UHFFFAOYSA-N 2 1 326.466 1.047 20 0 EDADMP C[NH+](C)CCN(CC[NH+](C)C)Cc1ncc(Br)cc1O ZINC000894458866 591317500 /nfs/dbraw/zinc/31/75/00/591317500.db2.gz YRNRPATXRRPDNS-UHFFFAOYSA-N 2 1 345.285 1.475 20 0 EDADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNc2cc[nH+]cc2CO)C1 ZINC000894631706 591372492 /nfs/dbraw/zinc/37/24/92/591372492.db2.gz OWDGIIXBNHFOOW-GOSISDBHSA-N 2 1 326.444 1.224 20 0 EDADMP CN1CC[N@H+](Cc2ccccc2)[C@H](CNc2cc[nH+]cc2CO)C1 ZINC000894631706 591372494 /nfs/dbraw/zinc/37/24/94/591372494.db2.gz OWDGIIXBNHFOOW-GOSISDBHSA-N 2 1 326.444 1.224 20 0 EDADMP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNc2cc[nH+]cc2CO)C1 ZINC000894631706 591372498 /nfs/dbraw/zinc/37/24/98/591372498.db2.gz OWDGIIXBNHFOOW-GOSISDBHSA-N 2 1 326.444 1.224 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000896289220 591410912 /nfs/dbraw/zinc/41/09/12/591410912.db2.gz OQKVWGIJCZDCSB-RTBURBONSA-N 2 1 345.487 1.860 20 0 EDADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000896289220 591410915 /nfs/dbraw/zinc/41/09/15/591410915.db2.gz OQKVWGIJCZDCSB-RTBURBONSA-N 2 1 345.487 1.860 20 0 EDADMP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896568954 591530891 /nfs/dbraw/zinc/53/08/91/591530891.db2.gz QJWSBIGWXQNDKZ-APWZRJJASA-N 2 1 344.503 1.647 20 0 EDADMP CN(CCN1CCOC(C)(C)C1)C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000897600437 591578355 /nfs/dbraw/zinc/57/83/55/591578355.db2.gz HNCBISVPUBPACH-INIZCTEOSA-N 2 1 349.479 1.359 20 0 EDADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000896789460 591612925 /nfs/dbraw/zinc/61/29/25/591612925.db2.gz DGUZNBLYZMRLGP-CRAIPNDOSA-N 2 1 345.491 1.980 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000896789460 591612928 /nfs/dbraw/zinc/61/29/28/591612928.db2.gz DGUZNBLYZMRLGP-CRAIPNDOSA-N 2 1 345.491 1.980 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000896789460 591612930 /nfs/dbraw/zinc/61/29/30/591612930.db2.gz DGUZNBLYZMRLGP-CRAIPNDOSA-N 2 1 345.491 1.980 20 0 EDADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000896789460 591612932 /nfs/dbraw/zinc/61/29/32/591612932.db2.gz DGUZNBLYZMRLGP-CRAIPNDOSA-N 2 1 345.491 1.980 20 0 EDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000896792094 591613425 /nfs/dbraw/zinc/61/34/25/591613425.db2.gz YDTGEGKDTRQXSF-MRXNPFEDSA-N 2 1 335.492 1.288 20 0 EDADMP C[C@H](CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000896795758 591615022 /nfs/dbraw/zinc/61/50/22/591615022.db2.gz DMOGOZBYJMNOEL-VQIMIIECSA-N 2 1 345.487 1.734 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897739954 591658119 /nfs/dbraw/zinc/65/81/19/591658119.db2.gz UUHCRUINZGEOJD-CKEIUWERSA-N 2 1 331.464 1.875 20 0 EDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000897739954 591658121 /nfs/dbraw/zinc/65/81/21/591658121.db2.gz UUHCRUINZGEOJD-CKEIUWERSA-N 2 1 331.464 1.875 20 0 EDADMP COC(=O)c1cnc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000896930065 591686445 /nfs/dbraw/zinc/68/64/45/591686445.db2.gz KPOOZCIRODHHKZ-ZDUSSCGKSA-N 2 1 339.461 1.315 20 0 EDADMP COC(=O)C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000897889649 591708626 /nfs/dbraw/zinc/70/86/26/591708626.db2.gz WVHIJGUECKGIST-HNNXBMFYSA-N 2 1 349.479 1.296 20 0 EDADMP CC1(C)CC[N@@H+](CCNc2cc(N3CCC[C@@H](CO)C3)ncn2)C1 ZINC000897249611 591786099 /nfs/dbraw/zinc/78/60/99/591786099.db2.gz WZBDXIJRTRXHPC-OAHLLOKOSA-N 2 1 333.480 1.829 20 0 EDADMP CC1(C)CC[N@@H+](CCNc2cc(N3CCC[C@H](CO)C3)ncn2)C1 ZINC000897249610 591786436 /nfs/dbraw/zinc/78/64/36/591786436.db2.gz WZBDXIJRTRXHPC-HNNXBMFYSA-N 2 1 333.480 1.829 20 0 EDADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000900016986 591868411 /nfs/dbraw/zinc/86/84/11/591868411.db2.gz XCJYUZBSPWUFLP-AZUAARDMSA-N 2 1 345.487 1.744 20 0 EDADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000899871111 591966721 /nfs/dbraw/zinc/96/67/21/591966721.db2.gz OEVSMPQPLXMCKS-LJQANCHMSA-N 2 1 348.487 1.451 20 0 EDADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)C2([NH3+])CC2)cc1 ZINC000902349077 591978632 /nfs/dbraw/zinc/97/86/32/591978632.db2.gz VQPOKDTWEJSLDA-CYBMUJFWSA-N 2 1 325.478 1.687 20 0 EDADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900416676 592013148 /nfs/dbraw/zinc/01/31/48/592013148.db2.gz CHXAYEYYWKYHHX-IBGZPJMESA-N 2 1 333.476 1.424 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)C[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000900587540 592060280 /nfs/dbraw/zinc/06/02/80/592060280.db2.gz WZKSUNIMHMNREN-HNNXBMFYSA-N 2 1 327.469 1.062 20 0 EDADMP CCCN(CC[NH+](C)C)C(=O)C[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000900587540 592060281 /nfs/dbraw/zinc/06/02/81/592060281.db2.gz WZKSUNIMHMNREN-HNNXBMFYSA-N 2 1 327.469 1.062 20 0 EDADMP C[N@H+]1CCC[C@@](O)(CC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000900658974 592083317 /nfs/dbraw/zinc/08/33/17/592083317.db2.gz JZNZLBQITCPAKP-GOSISDBHSA-N 2 1 325.497 1.606 20 0 EDADMP CC(C)N1CC[NH+](CCCC(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000900659858 592084193 /nfs/dbraw/zinc/08/41/93/592084193.db2.gz ARXRBWMQEXYZSK-GOSISDBHSA-N 2 1 336.524 1.345 20 0 EDADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC000900662641 592084524 /nfs/dbraw/zinc/08/45/24/592084524.db2.gz PMXRHKZNCGSZLP-CRAIPNDOSA-N 2 1 335.448 1.411 20 0 EDADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)c1 ZINC000900662641 592084527 /nfs/dbraw/zinc/08/45/27/592084527.db2.gz PMXRHKZNCGSZLP-CRAIPNDOSA-N 2 1 335.448 1.411 20 0 EDADMP CC[NH+](CC)C[C@H](C)NC(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000900694120 592088013 /nfs/dbraw/zinc/08/80/13/592088013.db2.gz FAZBQBXKGVUSED-KRWDZBQOSA-N 2 1 326.529 1.639 20 0 EDADMP CCN1CC[NH+](CCCCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900689020 592095404 /nfs/dbraw/zinc/09/54/04/592095404.db2.gz OPCAFVOPLNWIPE-QZTJIDSGSA-N 2 1 336.524 1.537 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900689020 592095406 /nfs/dbraw/zinc/09/54/06/592095406.db2.gz OPCAFVOPLNWIPE-QZTJIDSGSA-N 2 1 336.524 1.537 20 0 EDADMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900689020 592095408 /nfs/dbraw/zinc/09/54/08/592095408.db2.gz OPCAFVOPLNWIPE-QZTJIDSGSA-N 2 1 336.524 1.537 20 0 EDADMP CCOC(=O)C1(C)CC([NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000903112452 592122914 /nfs/dbraw/zinc/12/29/14/592122914.db2.gz NHOLBEMEWVEJTD-GPCOZRISSA-N 2 1 338.492 1.788 20 0 EDADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000903116865 592123382 /nfs/dbraw/zinc/12/33/82/592123382.db2.gz JSGBVLAOCVUGDH-SGFSRKTBSA-N 2 1 339.524 1.703 20 0 EDADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCO[C@@]23CCOC3)C1 ZINC000903148022 592129097 /nfs/dbraw/zinc/12/90/97/592129097.db2.gz PBYOZGQDZZINGB-CEXWTWQISA-N 2 1 332.444 1.291 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000900896350 592160404 /nfs/dbraw/zinc/16/04/04/592160404.db2.gz GKIMUFYVFRKNHO-KPFFTGBYSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000900896350 592160406 /nfs/dbraw/zinc/16/04/06/592160406.db2.gz GKIMUFYVFRKNHO-KPFFTGBYSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000900896350 592160407 /nfs/dbraw/zinc/16/04/07/592160407.db2.gz GKIMUFYVFRKNHO-KPFFTGBYSA-N 2 1 345.487 1.565 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903421704 592170329 /nfs/dbraw/zinc/17/03/29/592170329.db2.gz RXHTZDYTINNTAZ-WMLDXEAASA-N 2 1 345.443 1.501 20 0 EDADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903421704 592170331 /nfs/dbraw/zinc/17/03/31/592170331.db2.gz RXHTZDYTINNTAZ-WMLDXEAASA-N 2 1 345.443 1.501 20 0 EDADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900978663 592184552 /nfs/dbraw/zinc/18/45/52/592184552.db2.gz KERSYTFRMKZVAC-WMZOPIPTSA-N 2 1 325.497 1.316 20 0 EDADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C2 ZINC000903493677 592186253 /nfs/dbraw/zinc/18/62/53/592186253.db2.gz ZOLFJLKJRLKFHD-FSZRXZPDSA-N 2 1 339.480 1.233 20 0 EDADMP C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(Br)cc2)C[C@H]1CC[NH3+] ZINC000903497304 592188173 /nfs/dbraw/zinc/18/81/73/592188173.db2.gz UWJNKWJNZFUYPG-QKCSRTOESA-N 2 1 340.265 1.892 20 0 EDADMP C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(Br)cc2)C[C@H]1CC[NH3+] ZINC000903497304 592188175 /nfs/dbraw/zinc/18/81/75/592188175.db2.gz UWJNKWJNZFUYPG-QKCSRTOESA-N 2 1 340.265 1.892 20 0 EDADMP C[C@H]1CCCC[C@@H]1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511785 592191158 /nfs/dbraw/zinc/19/11/58/592191158.db2.gz ZUIHCZHFRJVZTO-KANFNMMFSA-N 2 1 348.535 1.582 20 0 EDADMP CN(C(=O)c1c2c(nn1C)CCC2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000906654608 592237391 /nfs/dbraw/zinc/23/73/91/592237391.db2.gz KVICGEAYIJUFFU-HNNXBMFYSA-N 2 1 345.491 1.149 20 0 EDADMP CN(C(=O)c1c2c(nn1C)CCC2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000906654608 592237394 /nfs/dbraw/zinc/23/73/94/592237394.db2.gz KVICGEAYIJUFFU-HNNXBMFYSA-N 2 1 345.491 1.149 20 0 EDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000904432849 592254708 /nfs/dbraw/zinc/25/47/08/592254708.db2.gz HTWVTWARZGYIKT-SJORKVTESA-N 2 1 333.480 1.841 20 0 EDADMP c1cc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)c2c(c1)OCCO2 ZINC000904451420 592264102 /nfs/dbraw/zinc/26/41/02/592264102.db2.gz DCUZXWXBXRMRBD-INIZCTEOSA-N 2 1 341.411 1.883 20 0 EDADMP c1csc(C[C@H]2CC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000904468425 592267893 /nfs/dbraw/zinc/26/78/93/592267893.db2.gz CKFSCCFREKDROU-KGLIPLIRSA-N 2 1 332.477 1.724 20 0 EDADMP c1csc(C[C@H]2CC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000904468425 592267896 /nfs/dbraw/zinc/26/78/96/592267896.db2.gz CKFSCCFREKDROU-KGLIPLIRSA-N 2 1 332.477 1.724 20 0 EDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000904473151 592268710 /nfs/dbraw/zinc/26/87/10/592268710.db2.gz OLPKJTLXOAILFQ-YESZJQIVSA-N 2 1 333.480 1.841 20 0 EDADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCC3([NH3+])CC3)c2C1 ZINC000906697308 592271149 /nfs/dbraw/zinc/27/11/49/592271149.db2.gz KJZMJIUCAJTJFC-CYBMUJFWSA-N 2 1 344.459 1.593 20 0 EDADMP CCCC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000903718481 592280617 /nfs/dbraw/zinc/28/06/17/592280617.db2.gz NFUWKPJOZVFNOK-HZPDHXFCSA-N 2 1 344.521 1.434 20 0 EDADMP CCCC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000903719063 592281786 /nfs/dbraw/zinc/28/17/86/592281786.db2.gz USKFNVDSKOCXDE-OWCLPIDISA-N 2 1 330.494 1.044 20 0 EDADMP O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725169 592285063 /nfs/dbraw/zinc/28/50/63/592285063.db2.gz XOHZTWCZFAIODJ-IRXDYDNUSA-N 2 1 335.492 1.383 20 0 EDADMP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@@H]1C ZINC000904582438 592287077 /nfs/dbraw/zinc/28/70/77/592287077.db2.gz OMENXEWGYSWYDW-KBPBESRZSA-N 2 1 334.464 1.799 20 0 EDADMP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903751683 592295332 /nfs/dbraw/zinc/29/53/32/592295332.db2.gz IEJSWLKLCKNXEI-ZIAGYGMSSA-N 2 1 325.478 1.717 20 0 EDADMP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903751683 592295336 /nfs/dbraw/zinc/29/53/36/592295336.db2.gz IEJSWLKLCKNXEI-ZIAGYGMSSA-N 2 1 325.478 1.717 20 0 EDADMP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000903733498 592296789 /nfs/dbraw/zinc/29/67/89/592296789.db2.gz LIVZYLUJXVNWTF-HRCADAONSA-N 2 1 344.521 1.433 20 0 EDADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000903733498 592296792 /nfs/dbraw/zinc/29/67/92/592296792.db2.gz LIVZYLUJXVNWTF-HRCADAONSA-N 2 1 344.521 1.433 20 0 EDADMP c1ccc(CCN2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903734047 592297887 /nfs/dbraw/zinc/29/78/87/592297887.db2.gz UDCPVGDNHOHVHQ-PMACEKPBSA-N 2 1 329.488 1.615 20 0 EDADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903741219 592302925 /nfs/dbraw/zinc/30/29/25/592302925.db2.gz ONSRJWFBPJGSGO-OALUTQOASA-N 2 1 338.540 1.103 20 0 EDADMP CCN(C[C@@H]1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1)CC(F)(F)F ZINC000903742684 592304974 /nfs/dbraw/zinc/30/49/74/592304974.db2.gz ZIRUANCJNITMPO-XHSDSOJGSA-N 2 1 349.441 1.961 20 0 EDADMP CC[C@@H](C)C[C@@H]([NH3+])c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000904693280 592311979 /nfs/dbraw/zinc/31/19/79/592311979.db2.gz XCMPNYWWECDHHK-TZMCWYRMSA-N 2 1 337.468 1.601 20 0 EDADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2CC(=O)NC(=O)NC2CCCC2)CCC1 ZINC000903814219 592324421 /nfs/dbraw/zinc/32/44/21/592324421.db2.gz LSGGVIQULWMUOY-OAHLLOKOSA-N 2 1 336.480 1.738 20 0 EDADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CC(=O)NC(=O)NC2CCCC2)CCC1 ZINC000903814219 592324427 /nfs/dbraw/zinc/32/44/27/592324427.db2.gz LSGGVIQULWMUOY-OAHLLOKOSA-N 2 1 336.480 1.738 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cnn1C ZINC000903914397 592364831 /nfs/dbraw/zinc/36/48/31/592364831.db2.gz UMVWXBLGYZOWCT-MDASCCDHSA-N 2 1 346.450 1.793 20 0 EDADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cnn1C ZINC000903914397 592364835 /nfs/dbraw/zinc/36/48/35/592364835.db2.gz UMVWXBLGYZOWCT-MDASCCDHSA-N 2 1 346.450 1.793 20 0 EDADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](CCO)[C@@H]2CCc3ccccc32)cnn1C ZINC000903893177 592365790 /nfs/dbraw/zinc/36/57/90/592365790.db2.gz RXSMLXKFFHWSGI-OXJNMPFZSA-N 2 1 342.487 1.828 20 0 EDADMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903893650 592366007 /nfs/dbraw/zinc/36/60/07/592366007.db2.gz XYAQWJDCLCYAQJ-ZBFHGGJFSA-N 2 1 329.448 1.971 20 0 EDADMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903893647 592366279 /nfs/dbraw/zinc/36/62/79/592366279.db2.gz XYAQWJDCLCYAQJ-GDBMZVCRSA-N 2 1 329.448 1.971 20 0 EDADMP Cn1cc(C[C@@H]2CC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000903898877 592368983 /nfs/dbraw/zinc/36/89/83/592368983.db2.gz OYCGCWWCQSEINJ-GOEBONIOSA-N 2 1 329.452 1.001 20 0 EDADMP C[N@@H+](CCN1C(=O)c2ccccc2C1=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903911176 592374829 /nfs/dbraw/zinc/37/48/29/592374829.db2.gz YFVOERQTPQORDZ-GOOCMWNKSA-N 2 1 327.428 1.745 20 0 EDADMP Cc1c(C[C@H](C[NH3+])CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cnn1C ZINC000903909637 592375060 /nfs/dbraw/zinc/37/50/60/592375060.db2.gz GWXACSUFWBLSDC-QZTJIDSGSA-N 2 1 333.524 1.510 20 0 EDADMP Fc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1-n1cncn1 ZINC000903954889 592395554 /nfs/dbraw/zinc/39/55/54/592395554.db2.gz HZAMCYSEJFXHPP-GFCCVEGCSA-N 2 1 325.338 1.741 20 0 EDADMP [NH3+][C@H](Cc1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1)Cc1ccccc1 ZINC000904100005 592425065 /nfs/dbraw/zinc/42/50/65/592425065.db2.gz VDXSVEPNOQTMRO-ARFHVFGLSA-N 2 1 328.416 1.718 20 0 EDADMP [NH3+][C@H](Cc1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1)Cc1ccccc1 ZINC000904100005 592425066 /nfs/dbraw/zinc/42/50/66/592425066.db2.gz VDXSVEPNOQTMRO-ARFHVFGLSA-N 2 1 328.416 1.718 20 0 EDADMP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000908317354 592430627 /nfs/dbraw/zinc/43/06/27/592430627.db2.gz XZUGZDGYWVUZOI-NUJGCVRESA-N 2 1 335.492 1.715 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000908317354 592430628 /nfs/dbraw/zinc/43/06/28/592430628.db2.gz XZUGZDGYWVUZOI-NUJGCVRESA-N 2 1 335.492 1.715 20 0 EDADMP C[C@@H]1COCC[NH+]1C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000908317354 592430630 /nfs/dbraw/zinc/43/06/30/592430630.db2.gz XZUGZDGYWVUZOI-NUJGCVRESA-N 2 1 335.492 1.715 20 0 EDADMP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000908424327 592490232 /nfs/dbraw/zinc/49/02/32/592490232.db2.gz YKVGIUNJWGOGME-LJQANCHMSA-N 2 1 336.524 1.347 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000908424327 592490233 /nfs/dbraw/zinc/49/02/33/592490233.db2.gz YKVGIUNJWGOGME-LJQANCHMSA-N 2 1 336.524 1.347 20 0 EDADMP CC(C)N1CC[NH+](CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000908424327 592490236 /nfs/dbraw/zinc/49/02/36/592490236.db2.gz YKVGIUNJWGOGME-LJQANCHMSA-N 2 1 336.524 1.347 20 0 EDADMP O[C@H](CC[C@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000905340166 592511032 /nfs/dbraw/zinc/51/10/32/592511032.db2.gz FLEVOHWFALJCIB-RBUKOAKNSA-N 2 1 336.476 1.298 20 0 EDADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CCOC(C)C)C2)[C@H]1C(C)C ZINC000905501451 592546261 /nfs/dbraw/zinc/54/62/61/592546261.db2.gz GFDUCNDFKMXPGO-VHPHOLNESA-N 2 1 342.524 1.622 20 0 EDADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC(CO)([NH2+]C(C)C)CC1)CC2 ZINC000908605551 592551420 /nfs/dbraw/zinc/55/14/20/592551420.db2.gz SXOUCUZOLAPSCZ-HNNXBMFYSA-N 2 1 334.464 1.105 20 0 EDADMP CC(C)OCC[C@H](O)C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000905497136 592553612 /nfs/dbraw/zinc/55/36/12/592553612.db2.gz WYHPKKPCUVTEDP-TZNCUMHOSA-N 2 1 328.497 1.232 20 0 EDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000907397492 592626240 /nfs/dbraw/zinc/62/62/40/592626240.db2.gz BIZLHLFPDAIBTH-QFBILLFUSA-N 2 1 344.503 1.117 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907397492 592626242 /nfs/dbraw/zinc/62/62/42/592626242.db2.gz BIZLHLFPDAIBTH-QFBILLFUSA-N 2 1 344.503 1.117 20 0 EDADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907397492 592626244 /nfs/dbraw/zinc/62/62/44/592626244.db2.gz BIZLHLFPDAIBTH-QFBILLFUSA-N 2 1 344.503 1.117 20 0 EDADMP CCOC(=O)[C@H]1CCCN(CC(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000907433149 592647231 /nfs/dbraw/zinc/64/72/31/592647231.db2.gz SAHGOCSCOPIZBP-JKSUJKDBSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000907433149 592647232 /nfs/dbraw/zinc/64/72/32/592647232.db2.gz SAHGOCSCOPIZBP-JKSUJKDBSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000907433149 592647234 /nfs/dbraw/zinc/64/72/34/592647234.db2.gz SAHGOCSCOPIZBP-JKSUJKDBSA-N 2 1 339.480 1.251 20 0 EDADMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000907433149 592647235 /nfs/dbraw/zinc/64/72/35/592647235.db2.gz SAHGOCSCOPIZBP-JKSUJKDBSA-N 2 1 339.480 1.251 20 0 EDADMP Cn1ccc(-n2cc(C[NH+]3CCC(CCC[NH+](C)C)CC3)nn2)n1 ZINC000906281873 592773701 /nfs/dbraw/zinc/77/37/01/592773701.db2.gz VSYMWTICWZJQJX-UHFFFAOYSA-N 2 1 331.468 1.555 20 0 EDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645827 592865747 /nfs/dbraw/zinc/86/57/47/592865747.db2.gz LMDJSKASMXASOD-UONOGXRCSA-N 2 1 332.448 1.320 20 0 EDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645825 592865754 /nfs/dbraw/zinc/86/57/54/592865754.db2.gz LMDJSKASMXASOD-KGLIPLIRSA-N 2 1 332.448 1.320 20 0 EDADMP CCO[C@H]1C[NH2+][C@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000911635695 592971899 /nfs/dbraw/zinc/97/18/99/592971899.db2.gz LEYJBHFXUMZNAO-MSOLQXFVSA-N 2 1 331.460 1.488 20 0 EDADMP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000911635675 592971908 /nfs/dbraw/zinc/97/19/08/592971908.db2.gz KRJNQAFIDKMIMI-LJQANCHMSA-N 2 1 331.460 1.226 20 0 EDADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCC[N@H+]1C ZINC000912203762 593071553 /nfs/dbraw/zinc/07/15/53/593071553.db2.gz CQAYMGZEHBDJJL-ZWKOTPCHSA-N 2 1 332.492 1.943 20 0 EDADMP O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000912346534 593087756 /nfs/dbraw/zinc/08/77/56/593087756.db2.gz JNUCPQHADRMVHO-ZWKOTPCHSA-N 2 1 335.492 1.763 20 0 EDADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)[C@H]2CCC[C@@H]21 ZINC000840795219 593231928 /nfs/dbraw/zinc/23/19/28/593231928.db2.gz DZRRGLXHWWAHLD-QZWWFDLISA-N 2 1 338.492 1.865 20 0 EDADMP CCC[C@]1(C2CC2)NC(=O)N(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1=O ZINC000802734011 593274140 /nfs/dbraw/zinc/27/41/40/593274140.db2.gz OAYYZGSUHJHBKC-URLQWDBASA-N 2 1 348.491 1.861 20 0 EDADMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000103461961 593302806 /nfs/dbraw/zinc/30/28/06/593302806.db2.gz USGCGRNSAZUJSR-UHFFFAOYSA-N 2 1 334.464 1.328 20 0 EDADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000103461961 593302809 /nfs/dbraw/zinc/30/28/09/593302809.db2.gz USGCGRNSAZUJSR-UHFFFAOYSA-N 2 1 334.464 1.328 20 0 EDADMP CS[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1[NH+](C)C ZINC000810755594 593427559 /nfs/dbraw/zinc/42/75/59/593427559.db2.gz XNUGKNKKDOFHGH-WOSRLPQWSA-N 2 1 331.501 1.703 20 0 EDADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000813323080 593525966 /nfs/dbraw/zinc/52/59/66/593525966.db2.gz LCTPKHAOEOJTTJ-CYBMUJFWSA-N 2 1 344.459 1.987 20 0 EDADMP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000818963132 593730713 /nfs/dbraw/zinc/73/07/13/593730713.db2.gz HUALFKJGRHJJBI-KFWWJZLASA-N 2 1 327.469 1.479 20 0 EDADMP CN(C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000818963605 593730769 /nfs/dbraw/zinc/73/07/69/593730769.db2.gz VWXGINHWLLIOQM-QLFBSQMISA-N 2 1 327.469 1.431 20 0 EDADMP